smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cn2c([nH+]1)[C@@H](CNc1c(C#N)cnc3ccc(C)cc31)CCC2 ZINC000368204225 168324014 /nfs/dbraw/zinc/32/40/14/168324014.db2.gz UEQDBCHOUXFJAS-OAHLLOKOSA-N 1 2 331.423 3.331 20 30 EGEDLO Cc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1C#N ZINC000369046758 168396869 /nfs/dbraw/zinc/39/68/69/168396869.db2.gz HDXXYSSVHLBBFD-UHFFFAOYSA-N 1 2 334.354 3.122 20 30 EGEDLO C[C@H](C#N)Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1 ZINC000009881494 201790355 /nfs/dbraw/zinc/79/03/55/201790355.db2.gz DGUQQBYNFIYABM-CYBMUJFWSA-N 1 2 345.447 3.396 20 30 EGEDLO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(F)F ZINC000103489243 219306062 /nfs/dbraw/zinc/30/60/62/219306062.db2.gz WUJZGTPEOKEBRJ-UHFFFAOYSA-N 1 2 327.400 3.024 20 30 EGEDLO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(F)F ZINC000103489243 219306063 /nfs/dbraw/zinc/30/60/63/219306063.db2.gz WUJZGTPEOKEBRJ-UHFFFAOYSA-N 1 2 327.400 3.024 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000186757711 236009471 /nfs/dbraw/zinc/00/94/71/236009471.db2.gz PUEUDCHHCWUTLL-UHFFFAOYSA-N 1 2 332.860 3.380 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCCN(c2nccs2)CC1 ZINC000186757711 236009473 /nfs/dbraw/zinc/00/94/73/236009473.db2.gz PUEUDCHHCWUTLL-UHFFFAOYSA-N 1 2 332.860 3.380 20 30 EGEDLO C#C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C(C)C ZINC000298148166 202229723 /nfs/dbraw/zinc/22/97/23/202229723.db2.gz ZPVGEHJVLJHAKS-IPMKNSEASA-N 1 2 336.439 3.069 20 30 EGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)Nc1ncccn1 ZINC000298564845 202334419 /nfs/dbraw/zinc/33/44/19/202334419.db2.gz JTUHVSRWFFEIDT-NSHDSACASA-N 1 2 336.848 3.207 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)Nc1ncccn1 ZINC000298564845 202334422 /nfs/dbraw/zinc/33/44/22/202334422.db2.gz JTUHVSRWFFEIDT-NSHDSACASA-N 1 2 336.848 3.207 20 30 EGEDLO CCN(C(C)=O)c1nc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cs1 ZINC000298776107 202348147 /nfs/dbraw/zinc/34/81/47/202348147.db2.gz IRFJEDDAEZCFFV-GFCCVEGCSA-N 1 2 328.441 3.238 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@@H](C)C[C@H]2c2cccnc2)c(C#N)c1C ZINC000359865008 201113604 /nfs/dbraw/zinc/11/36/04/201113604.db2.gz CRVFABCNXMURTO-SJCJKPOMSA-N 1 2 338.411 3.185 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+]2C[C@@H](C)C[C@H]2c2cccnc2)c(C#N)c1C ZINC000359865008 201113608 /nfs/dbraw/zinc/11/36/08/201113608.db2.gz CRVFABCNXMURTO-SJCJKPOMSA-N 1 2 338.411 3.185 20 30 EGEDLO C#Cc1cccc(NC(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)c1 ZINC000264293458 201210213 /nfs/dbraw/zinc/21/02/13/201210213.db2.gz SIPQGIMNFGMQKJ-UHFFFAOYSA-N 1 2 336.317 3.091 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270049018 201236764 /nfs/dbraw/zinc/23/67/64/201236764.db2.gz DSTHODYEGQDFNR-DOTOQJQBSA-N 1 2 341.455 3.317 20 30 EGEDLO C=C(C)[C@H](CC(=O)NCc1[nH+]ccn1CCc1ccccc1)OCC ZINC000270231350 201237851 /nfs/dbraw/zinc/23/78/51/201237851.db2.gz VDEMUORSXAPLHD-SFHVURJKSA-N 1 2 341.455 3.113 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2c[nH]nc2-c2ccc(C)cc2)n1 ZINC000279478298 201318427 /nfs/dbraw/zinc/31/84/27/201318427.db2.gz WMLCYQVLGRKYGV-UHFFFAOYSA-N 1 2 333.439 3.237 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2c[nH]nc2-c2ccc(C)cc2)n1 ZINC000279478298 201318431 /nfs/dbraw/zinc/31/84/31/201318431.db2.gz WMLCYQVLGRKYGV-UHFFFAOYSA-N 1 2 333.439 3.237 20 30 EGEDLO CC1(C)C[C@@H](O)CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000295966347 201350255 /nfs/dbraw/zinc/35/02/55/201350255.db2.gz IDMJYHBIDOXFPX-HNNXBMFYSA-N 1 2 337.261 3.304 20 30 EGEDLO CC1(C)C[C@@H](O)CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000295966347 201350256 /nfs/dbraw/zinc/35/02/56/201350256.db2.gz IDMJYHBIDOXFPX-HNNXBMFYSA-N 1 2 337.261 3.304 20 30 EGEDLO C[C@@H](C#N)Sc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000022860002 212329957 /nfs/dbraw/zinc/32/99/57/212329957.db2.gz VAZPOISFDHVTGO-AWEZNQCLSA-N 1 2 327.457 3.257 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCS[C@H](C(C)C)C2)c(C#N)c1C ZINC000072836319 203247401 /nfs/dbraw/zinc/24/74/01/203247401.db2.gz VIKXHOMWLPQLQU-DOMZBBRYSA-N 1 2 335.473 3.169 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCS[C@H](C(C)C)C2)c(C#N)c1C ZINC000072836319 203247403 /nfs/dbraw/zinc/24/74/03/203247403.db2.gz VIKXHOMWLPQLQU-DOMZBBRYSA-N 1 2 335.473 3.169 20 30 EGEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)cc1C ZINC000103144864 204064032 /nfs/dbraw/zinc/06/40/32/204064032.db2.gz ZSLXOMCBTNJLNZ-UHFFFAOYSA-N 1 2 341.411 3.156 20 30 EGEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)cc1C ZINC000103144864 204064035 /nfs/dbraw/zinc/06/40/35/204064035.db2.gz ZSLXOMCBTNJLNZ-UHFFFAOYSA-N 1 2 341.411 3.156 20 30 EGEDLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2cccc(C#N)c2)s1 ZINC000106879279 204216021 /nfs/dbraw/zinc/21/60/21/204216021.db2.gz PEITZPKPDZBPGT-GFCCVEGCSA-N 1 2 328.441 3.263 20 30 EGEDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)s1 ZINC000106879279 204216022 /nfs/dbraw/zinc/21/60/22/204216022.db2.gz PEITZPKPDZBPGT-GFCCVEGCSA-N 1 2 328.441 3.263 20 30 EGEDLO O[C@@H](C[C@@H]1COCC[N@@H+]1CC#Cc1ccc(F)cc1)c1ccccc1 ZINC000157069702 205149068 /nfs/dbraw/zinc/14/90/68/205149068.db2.gz KOEXDECSLAJORU-RTWAWAEBSA-N 1 2 339.410 3.002 20 30 EGEDLO O[C@@H](C[C@@H]1COCC[N@H+]1CC#Cc1ccc(F)cc1)c1ccccc1 ZINC000157069702 205149069 /nfs/dbraw/zinc/14/90/69/205149069.db2.gz KOEXDECSLAJORU-RTWAWAEBSA-N 1 2 339.410 3.002 20 30 EGEDLO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(F)ccc1C#N ZINC000159718093 206260445 /nfs/dbraw/zinc/26/04/45/206260445.db2.gz GLPNBTAHVKXKEA-UHFFFAOYSA-N 1 2 339.414 3.421 20 30 EGEDLO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(F)ccc1C#N ZINC000159718093 206260448 /nfs/dbraw/zinc/26/04/48/206260448.db2.gz GLPNBTAHVKXKEA-UHFFFAOYSA-N 1 2 339.414 3.421 20 30 EGEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCO[C@@H](c3ccccc3Cl)C2)cc1 ZINC000268621429 252075013 /nfs/dbraw/zinc/07/50/13/252075013.db2.gz AGHMAYMRULDKNJ-RBUKOAKNSA-N 1 2 342.826 3.319 20 30 EGEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCO[C@@H](c3ccccc3Cl)C2)cc1 ZINC000268621429 252075018 /nfs/dbraw/zinc/07/50/18/252075018.db2.gz AGHMAYMRULDKNJ-RBUKOAKNSA-N 1 2 342.826 3.319 20 30 EGEDLO N#Cc1ccc(C[N@@H+](CC(=O)Nc2c(F)cccc2F)C2CC2)cc1 ZINC000346459225 141199472 /nfs/dbraw/zinc/19/94/72/141199472.db2.gz UNGKTZZBMABXHJ-UHFFFAOYSA-N 1 2 341.361 3.440 20 30 EGEDLO N#Cc1ccc(C[N@H+](CC(=O)Nc2c(F)cccc2F)C2CC2)cc1 ZINC000346459225 141199473 /nfs/dbraw/zinc/19/94/73/141199473.db2.gz UNGKTZZBMABXHJ-UHFFFAOYSA-N 1 2 341.361 3.440 20 30 EGEDLO N#Cc1cc(CN2CCc3c([nH+]cn3-c3ccccc3)C2)ccc1F ZINC000351026447 141270177 /nfs/dbraw/zinc/27/01/77/141270177.db2.gz IWEMMTASFXBUKN-UHFFFAOYSA-N 1 2 332.382 3.441 20 30 EGEDLO C[C@@H]1C[N@H+](CCOc2ccccc2C#N)C[C@H](c2ccsc2)O1 ZINC000120923291 152311516 /nfs/dbraw/zinc/31/15/16/152311516.db2.gz JFCISPNTRJZCCE-RDTXWAMCSA-N 1 2 328.437 3.461 20 30 EGEDLO C[C@@H]1C[N@@H+](CCOc2ccccc2C#N)C[C@H](c2ccsc2)O1 ZINC000120923291 152311518 /nfs/dbraw/zinc/31/15/18/152311518.db2.gz JFCISPNTRJZCCE-RDTXWAMCSA-N 1 2 328.437 3.461 20 30 EGEDLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cccc([N+](=O)[O-])c1 ZINC000341589454 155370793 /nfs/dbraw/zinc/37/07/93/155370793.db2.gz MABNXCKWPRCFCC-GFCCVEGCSA-N 1 2 349.350 3.367 20 30 EGEDLO Cc1nsc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1C#N ZINC000339971443 155057337 /nfs/dbraw/zinc/05/73/37/155057337.db2.gz WGFGPXHHAFMVLG-UHFFFAOYSA-N 1 2 332.860 3.299 20 30 EGEDLO COc1ccc(C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1C#N ZINC000340146848 155113866 /nfs/dbraw/zinc/11/38/66/155113866.db2.gz PAJCMUSIBCHDAW-UHFFFAOYSA-N 1 2 332.407 3.492 20 30 EGEDLO COc1ccc(C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1C#N ZINC000340146848 155113869 /nfs/dbraw/zinc/11/38/69/155113869.db2.gz PAJCMUSIBCHDAW-UHFFFAOYSA-N 1 2 332.407 3.492 20 30 EGEDLO N#Cc1ccc(Oc2cccc(C(=O)Nc3cc[nH+]cc3O)c2)cc1 ZINC000345374761 156075769 /nfs/dbraw/zinc/07/57/69/156075769.db2.gz LHTDZOUYUHYCSV-UHFFFAOYSA-N 1 2 331.331 3.125 20 30 EGEDLO N#Cc1ccc(Cl)c(C(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000352648882 156399356 /nfs/dbraw/zinc/39/93/56/156399356.db2.gz XTQJVFKCDRJBMD-UHFFFAOYSA-N 1 2 328.803 3.229 20 30 EGEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000126699459 162309733 /nfs/dbraw/zinc/30/97/33/162309733.db2.gz YPTWESMYKLVVAJ-UHFFFAOYSA-N 1 2 344.418 3.426 20 30 EGEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000126699459 162309737 /nfs/dbraw/zinc/30/97/37/162309737.db2.gz YPTWESMYKLVVAJ-UHFFFAOYSA-N 1 2 344.418 3.426 20 30 EGEDLO Cc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1Cl ZINC000248876078 163041291 /nfs/dbraw/zinc/04/12/91/163041291.db2.gz JLENWJYWWPABQK-CQSZACIVSA-N 1 2 341.846 3.021 20 30 EGEDLO Cc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1Cl ZINC000248876078 163041293 /nfs/dbraw/zinc/04/12/93/163041293.db2.gz JLENWJYWWPABQK-CQSZACIVSA-N 1 2 341.846 3.021 20 30 EGEDLO COCc1nc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cs1 ZINC000336880090 163087311 /nfs/dbraw/zinc/08/73/11/163087311.db2.gz OVAMTMDIYAEESH-UHFFFAOYSA-N 1 2 343.452 3.205 20 30 EGEDLO Cc1[nH]c2ccc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)cc2[nH+]1 ZINC000337038531 163111897 /nfs/dbraw/zinc/11/18/97/163111897.db2.gz HTIOCOSIBFRBME-UHFFFAOYSA-N 1 2 342.362 3.181 20 30 EGEDLO CC(C)[C@@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)c1[nH]cc[nH+]1 ZINC000338880170 163372769 /nfs/dbraw/zinc/37/27/69/163372769.db2.gz JXHDNAQLTHBUMK-MRXNPFEDSA-N 1 2 335.367 3.063 20 30 EGEDLO CCc1ccccc1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000343721892 164020596 /nfs/dbraw/zinc/02/05/96/164020596.db2.gz GPAQEUZMTGFCBW-UHFFFAOYSA-N 1 2 347.462 3.008 20 30 EGEDLO C[N@H+](CCOCc1ccc(C#N)cc1)CC(=O)c1c[nH]c2ccccc21 ZINC000344106757 164104275 /nfs/dbraw/zinc/10/42/75/164104275.db2.gz IETKEPQGUVQNLI-UHFFFAOYSA-N 1 2 347.418 3.371 20 30 EGEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)CC(=O)c1c[nH]c2ccccc21 ZINC000344106757 164104278 /nfs/dbraw/zinc/10/42/78/164104278.db2.gz IETKEPQGUVQNLI-UHFFFAOYSA-N 1 2 347.418 3.371 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000345756873 164259666 /nfs/dbraw/zinc/25/96/66/164259666.db2.gz MYKJFWGGIMMLSH-LJQANCHMSA-N 1 2 337.398 3.325 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000345756873 164259669 /nfs/dbraw/zinc/25/96/69/164259669.db2.gz MYKJFWGGIMMLSH-LJQANCHMSA-N 1 2 337.398 3.325 20 30 EGEDLO N#Cc1cccc(COc2cccc(NC(=O)CCc3[nH]cc[nH+]3)c2)c1 ZINC000352279606 165324639 /nfs/dbraw/zinc/32/46/39/165324639.db2.gz OQZHGHKJHYDKBM-UHFFFAOYSA-N 1 2 346.390 3.432 20 30 EGEDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000359487180 167169799 /nfs/dbraw/zinc/16/97/99/167169799.db2.gz VPAAKPOPQNDPSI-UHFFFAOYSA-N 1 2 346.390 3.099 20 30 EGEDLO Cc1ccc2ncc(C#N)c(NCc3ccc(-n4cc[nH+]c4)nc3)c2c1 ZINC000366187171 168092157 /nfs/dbraw/zinc/09/21/57/168092157.db2.gz RDABIAFUGQZBRZ-UHFFFAOYSA-N 1 2 340.390 3.030 20 30 EGEDLO COc1ccc(-c2noc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)n2)cc1 ZINC000367683995 168258673 /nfs/dbraw/zinc/25/86/73/168258673.db2.gz MBHUEWUYBHAJJT-ZDUSSCGKSA-N 1 2 334.379 3.468 20 30 EGEDLO N#Cc1ccc(NCc2cc[nH+]c(N3CCCCC3)c2)c([N+](=O)[O-])c1 ZINC000298700227 270043070 /nfs/dbraw/zinc/04/30/70/270043070.db2.gz HEGUYWQFUWAXCD-UHFFFAOYSA-N 1 2 337.383 3.464 20 30 EGEDLO N#Cc1cnc2ccccc2c1NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000301350530 270043848 /nfs/dbraw/zinc/04/38/48/270043848.db2.gz MMGZDNMXJYYBCA-UHFFFAOYSA-N 1 2 326.363 3.299 20 30 EGEDLO CCC[C@@](C)(CC)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000474189745 270055324 /nfs/dbraw/zinc/05/53/24/270055324.db2.gz OGVIYQKLXWYQFL-HXUWFJFHSA-N 1 2 327.472 3.419 20 30 EGEDLO CCc1noc([C@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)n1 ZINC000285613878 266460268 /nfs/dbraw/zinc/46/02/68/266460268.db2.gz XPGJLGPCDMQECU-LBPRGKRZSA-N 1 2 344.390 3.247 20 30 EGEDLO C[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000290243230 267020330 /nfs/dbraw/zinc/02/03/30/267020330.db2.gz STLAAKLCNGRQGP-MLGOLLRUSA-N 1 2 327.363 3.009 20 30 EGEDLO CC[C@H](CC(C)C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449043360 267208929 /nfs/dbraw/zinc/20/89/29/267208929.db2.gz XQNALBGVCPFURI-LJQANCHMSA-N 1 2 327.472 3.275 20 30 EGEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000459043588 267257671 /nfs/dbraw/zinc/25/76/71/267257671.db2.gz DIBLEKKPDXJZDE-AWEZNQCLSA-N 1 2 337.427 3.210 20 30 EGEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000455466373 267259542 /nfs/dbraw/zinc/25/95/42/267259542.db2.gz MDYBSOOFYSQJMD-HNNXBMFYSA-N 1 2 349.438 3.335 20 30 EGEDLO Cc1cc(NC(=O)c2cc(C#N)ccn2)c[nH+]c1N1CCCC[C@@H]1C ZINC000288486125 267345353 /nfs/dbraw/zinc/34/53/53/267345353.db2.gz JUUQTWJGVPLSCW-AWEZNQCLSA-N 1 2 335.411 3.288 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[NH2+][C@H](CCCO)c3ccccc3)o2)cc1 ZINC000271739338 268028858 /nfs/dbraw/zinc/02/88/58/268028858.db2.gz BWHRSCUHWZCVMZ-GOSISDBHSA-N 1 2 348.406 3.212 20 30 EGEDLO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1c(Cl)ncnc1N(C)C ZINC000278580550 268044538 /nfs/dbraw/zinc/04/45/38/268044538.db2.gz KCTFAOIZSSXEDP-UHFFFAOYSA-N 1 2 343.862 3.480 20 30 EGEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1c(Cl)ncnc1N(C)C ZINC000278580550 268044540 /nfs/dbraw/zinc/04/45/40/268044540.db2.gz KCTFAOIZSSXEDP-UHFFFAOYSA-N 1 2 343.862 3.480 20 30 EGEDLO Cc1cccc2[nH+]c(CNC(=O)Nc3ccc(C#N)cc3Cl)cn21 ZINC000426129100 268060088 /nfs/dbraw/zinc/06/00/88/268060088.db2.gz QHDCNBZZEHTQQX-UHFFFAOYSA-N 1 2 339.786 3.490 20 30 EGEDLO Cc1[nH+]c2cc(NC(=O)c3cccc(C#N)c3C)ccc2n1[C@@H](C)CO ZINC000456706007 268079258 /nfs/dbraw/zinc/07/92/58/268079258.db2.gz UPUXIPYRHDAONA-LBPRGKRZSA-N 1 2 348.406 3.330 20 30 EGEDLO Cc1nsc(N2CC[NH+]([C@@H]3C[C@H]3c3cccc(F)c3)CC2)c1C#N ZINC000411754157 268102640 /nfs/dbraw/zinc/10/26/40/268102640.db2.gz XJZLDCMIHIJMOC-DOTOQJQBSA-N 1 2 342.443 3.140 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(C4CCC4)CCC3)CC2)cc1 ZINC000454297349 268220018 /nfs/dbraw/zinc/22/00/18/268220018.db2.gz HJTPNPXNNQWSNN-UHFFFAOYSA-N 1 2 337.467 3.173 20 30 EGEDLO N#Cc1cccc(OCC[N@@H+]2CCO[C@@H](c3ccccc3F)C2)c1 ZINC000066845738 307363300 /nfs/dbraw/zinc/36/33/00/307363300.db2.gz QIJHLMNCYYUNEL-LJQANCHMSA-N 1 2 326.371 3.150 20 30 EGEDLO N#Cc1cccc(OCC[N@H+]2CCO[C@@H](c3ccccc3F)C2)c1 ZINC000066845738 307363302 /nfs/dbraw/zinc/36/33/02/307363302.db2.gz QIJHLMNCYYUNEL-LJQANCHMSA-N 1 2 326.371 3.150 20 30 EGEDLO CCOc1ccc(C#N)cc1NC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000069296986 307374538 /nfs/dbraw/zinc/37/45/38/307374538.db2.gz KBVSXPARDDIAPF-UHFFFAOYSA-N 1 2 349.394 3.235 20 30 EGEDLO Cn1c[nH+]cc1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 ZINC000548791982 315047975 /nfs/dbraw/zinc/04/79/75/315047975.db2.gz MFVDDXMDIZUCRG-UHFFFAOYSA-N 1 2 346.390 3.052 20 30 EGEDLO CN(C)c1[nH]c2ccc(NC(=O)c3ccc(Cl)c(C#N)c3)cc2[nH+]1 ZINC000555321618 315378937 /nfs/dbraw/zinc/37/89/37/315378937.db2.gz GCVKPCVYWSUPTR-UHFFFAOYSA-N 1 2 339.786 3.406 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000183974068 323637094 /nfs/dbraw/zinc/63/70/94/323637094.db2.gz IMZWWIFIIMWSTJ-CQSZACIVSA-N 1 2 325.437 3.139 20 30 EGEDLO Cc1c[nH+]c2cc(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)ccn12 ZINC000581378160 325356563 /nfs/dbraw/zinc/35/65/63/325356563.db2.gz ATULEAADWDYPIP-UHFFFAOYSA-N 1 2 330.391 3.319 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2c(Br)cccc2C1 ZINC000355677931 457398868 /nfs/dbraw/zinc/39/88/68/457398868.db2.gz YMRFWCVPKSDLEI-UHFFFAOYSA-N 1 2 349.272 3.008 20 30 EGEDLO C[C@H]1CN(c2ccc(CNc3cc(Cl)ccc3C#N)c[nH+]2)CCO1 ZINC000264611284 455248419 /nfs/dbraw/zinc/24/84/19/455248419.db2.gz FOGWFUWNONBEPI-ZDUSSCGKSA-N 1 2 342.830 3.444 20 30 EGEDLO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000015144756 453560234 /nfs/dbraw/zinc/56/02/34/453560234.db2.gz CLWCABFIKPIZJL-AWEZNQCLSA-N 1 2 331.485 3.352 20 30 EGEDLO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000015144756 453560238 /nfs/dbraw/zinc/56/02/38/453560238.db2.gz CLWCABFIKPIZJL-AWEZNQCLSA-N 1 2 331.485 3.352 20 30 EGEDLO C#CC[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000018942548 453651988 /nfs/dbraw/zinc/65/19/88/453651988.db2.gz IJJWUJUSLMSJTH-INIZCTEOSA-N 1 2 343.770 3.151 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccccc1 ZINC000022261141 453689382 /nfs/dbraw/zinc/68/93/82/453689382.db2.gz JJDLSQRHGYEBNL-KRWDZBQOSA-N 1 2 333.351 3.401 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c(C#N)c1C ZINC000026324581 453796202 /nfs/dbraw/zinc/79/62/02/453796202.db2.gz QHCRHSPWEIJCPR-CMPLNLGQSA-N 1 2 343.349 3.369 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(F)(F)F)C2)c(C#N)c1C ZINC000026324581 453796203 /nfs/dbraw/zinc/79/62/03/453796203.db2.gz QHCRHSPWEIJCPR-CMPLNLGQSA-N 1 2 343.349 3.369 20 30 EGEDLO Cc1cccc(N2CC[NH+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)c1 ZINC000027383002 453815997 /nfs/dbraw/zinc/81/59/97/453815997.db2.gz APRDLTBRBJFGPT-QGZVFWFLSA-N 1 2 348.450 3.016 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccccc1 ZINC000027775337 453820542 /nfs/dbraw/zinc/82/05/42/453820542.db2.gz NLFDDEJVHPIJOJ-UHFFFAOYSA-N 1 2 337.423 3.272 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccccc1 ZINC000027775337 453820543 /nfs/dbraw/zinc/82/05/43/453820543.db2.gz NLFDDEJVHPIJOJ-UHFFFAOYSA-N 1 2 337.423 3.272 20 30 EGEDLO C=CCOc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC000081288284 453855884 /nfs/dbraw/zinc/85/58/84/453855884.db2.gz GVALODRZCDWMMH-IBGZPJMESA-N 1 2 337.423 3.250 20 30 EGEDLO C=CCOc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC000081288284 453855889 /nfs/dbraw/zinc/85/58/89/453855889.db2.gz GVALODRZCDWMMH-IBGZPJMESA-N 1 2 337.423 3.250 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000181740646 455378444 /nfs/dbraw/zinc/37/84/44/455378444.db2.gz KBDMLADNYMLXTG-NWDGAFQWSA-N 1 2 325.815 3.138 20 30 EGEDLO N#Cc1cn(Cc2[nH+]ccn2C(F)F)c2ccc(Cl)cc2c1=O ZINC000089807118 454204966 /nfs/dbraw/zinc/20/49/66/454204966.db2.gz UOXVCCUGRVWEPN-UHFFFAOYSA-N 1 2 334.713 3.166 20 30 EGEDLO C=CCc1cc(CNC(=O)Nc2cc[nH+]c(C)c2)cc(OC)c1OC ZINC000120055869 454253076 /nfs/dbraw/zinc/25/30/76/454253076.db2.gz MZPUTOYJKWJBSY-UHFFFAOYSA-N 1 2 341.411 3.457 20 30 EGEDLO C[N@H+](CC(=O)Nc1ccccc1OC(F)F)Cc1ccc(C#N)cc1 ZINC000046527309 454260781 /nfs/dbraw/zinc/26/07/81/454260781.db2.gz IGNLRLYCFGPKBW-UHFFFAOYSA-N 1 2 345.349 3.230 20 30 EGEDLO C[N@@H+](CC(=O)Nc1ccccc1OC(F)F)Cc1ccc(C#N)cc1 ZINC000046527309 454260785 /nfs/dbraw/zinc/26/07/85/454260785.db2.gz IGNLRLYCFGPKBW-UHFFFAOYSA-N 1 2 345.349 3.230 20 30 EGEDLO C=CCSCCNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000120124444 454261816 /nfs/dbraw/zinc/26/18/16/454261816.db2.gz XNSIFTYKMIITAW-AWEZNQCLSA-N 1 2 339.530 3.056 20 30 EGEDLO C=CCn1c(COc2ccccc2)nnc1SCCn1cc[nH+]c1 ZINC000160183790 455434938 /nfs/dbraw/zinc/43/49/38/455434938.db2.gz HIMFXJBQVZOAEX-UHFFFAOYSA-N 1 2 341.440 3.032 20 30 EGEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc2cccnc2)cc1 ZINC000132409691 454335089 /nfs/dbraw/zinc/33/50/89/454335089.db2.gz BFYLXAJMTCCKKZ-QGZVFWFLSA-N 1 2 336.439 3.157 20 30 EGEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc2cccnc2)cc1 ZINC000132409691 454335095 /nfs/dbraw/zinc/33/50/95/454335095.db2.gz BFYLXAJMTCCKKZ-QGZVFWFLSA-N 1 2 336.439 3.157 20 30 EGEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc2cccnc2)cc1 ZINC000132409886 454336815 /nfs/dbraw/zinc/33/68/15/454336815.db2.gz BFYLXAJMTCCKKZ-KRWDZBQOSA-N 1 2 336.439 3.157 20 30 EGEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc2cccnc2)cc1 ZINC000132409886 454336818 /nfs/dbraw/zinc/33/68/18/454336818.db2.gz BFYLXAJMTCCKKZ-KRWDZBQOSA-N 1 2 336.439 3.157 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)NCc1cccc(COC)c1 ZINC000266730800 455443612 /nfs/dbraw/zinc/44/36/12/455443612.db2.gz KMGMQHCPHLCIOK-UHFFFAOYSA-N 1 2 345.487 3.101 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)NCc1cccc(COC)c1 ZINC000266730800 455443617 /nfs/dbraw/zinc/44/36/17/455443617.db2.gz KMGMQHCPHLCIOK-UHFFFAOYSA-N 1 2 345.487 3.101 20 30 EGEDLO CC1CCN(c2ccc(CNC(=O)c3cccc(C#N)c3)c[nH+]2)CC1 ZINC000061899755 454362352 /nfs/dbraw/zinc/36/23/52/454362352.db2.gz PKUKZRCTQRFRRU-UHFFFAOYSA-N 1 2 334.423 3.120 20 30 EGEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)c2nc(-c3ccccc3)no2)cs1 ZINC000072920184 454363351 /nfs/dbraw/zinc/36/33/51/454363351.db2.gz RRJURZDTZPNPML-SNVBAGLBSA-N 1 2 343.412 3.094 20 30 EGEDLO C=CC[N@H+](Cc1nc(-c2ccccn2)no1)Cc1ccc(OC)cc1 ZINC000079483563 454422287 /nfs/dbraw/zinc/42/22/87/454422287.db2.gz UAHOQOAQAOXACO-UHFFFAOYSA-N 1 2 336.395 3.328 20 30 EGEDLO C=CC[N@@H+](Cc1nc(-c2ccccn2)no1)Cc1ccc(OC)cc1 ZINC000079483563 454422295 /nfs/dbraw/zinc/42/22/95/454422295.db2.gz UAHOQOAQAOXACO-UHFFFAOYSA-N 1 2 336.395 3.328 20 30 EGEDLO CC[N@H+](CCCNC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000048193763 454454562 /nfs/dbraw/zinc/45/45/62/454454562.db2.gz YPSCKGXTZCWASF-UHFFFAOYSA-N 1 2 336.439 3.274 20 30 EGEDLO CC[N@@H+](CCCNC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000048193763 454454567 /nfs/dbraw/zinc/45/45/67/454454567.db2.gz YPSCKGXTZCWASF-UHFFFAOYSA-N 1 2 336.439 3.274 20 30 EGEDLO C[C@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000134130650 454506081 /nfs/dbraw/zinc/50/60/81/454506081.db2.gz XDOVNZHMJHJJNF-AAEUAGOBSA-N 1 2 335.333 3.256 20 30 EGEDLO C=C(C)C[NH+]1CCC(NC(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000080026038 454520463 /nfs/dbraw/zinc/52/04/63/454520463.db2.gz GEEOLWOGGNIARJ-UHFFFAOYSA-N 1 2 343.254 3.469 20 30 EGEDLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081044940 454676302 /nfs/dbraw/zinc/67/63/02/454676302.db2.gz XEVGPAFUVKKQDJ-CYBMUJFWSA-N 1 2 335.398 3.110 20 30 EGEDLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081044940 454676304 /nfs/dbraw/zinc/67/63/04/454676304.db2.gz XEVGPAFUVKKQDJ-CYBMUJFWSA-N 1 2 335.398 3.110 20 30 EGEDLO CCOc1cc(C[N@@H+](CCC#N)CCOC)cc(Cl)c1OC ZINC000093099876 454681159 /nfs/dbraw/zinc/68/11/59/454681159.db2.gz GQGDOAIIPUNWHI-UHFFFAOYSA-N 1 2 326.824 3.109 20 30 EGEDLO CCOc1cc(C[N@H+](CCC#N)CCOC)cc(Cl)c1OC ZINC000093099876 454681163 /nfs/dbraw/zinc/68/11/63/454681163.db2.gz GQGDOAIIPUNWHI-UHFFFAOYSA-N 1 2 326.824 3.109 20 30 EGEDLO COCCN(C)c1ccc(/C=C/C(=O)c2ccc(OC)cc2F)c[nH+]1 ZINC000191218494 455465947 /nfs/dbraw/zinc/46/59/47/455465947.db2.gz UWCXFUZJBGJMHN-XBXARRHUSA-N 1 2 344.386 3.208 20 30 EGEDLO C[C@H](NC(=O)CNc1cccc(C#N)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000163544044 454854299 /nfs/dbraw/zinc/85/42/99/454854299.db2.gz UFRRRHILDIEMLZ-HNNXBMFYSA-N 1 2 345.406 3.033 20 30 EGEDLO N#CCCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1 ZINC000112349820 454885322 /nfs/dbraw/zinc/88/53/22/454885322.db2.gz KLNRZVGFPYCVTR-UHFFFAOYSA-N 1 2 342.830 3.479 20 30 EGEDLO N#CCCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1 ZINC000112349820 454885326 /nfs/dbraw/zinc/88/53/26/454885326.db2.gz KLNRZVGFPYCVTR-UHFFFAOYSA-N 1 2 342.830 3.479 20 30 EGEDLO Cc1ccc([C@@H]2CSCC[N@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000112637014 454893262 /nfs/dbraw/zinc/89/32/62/454893262.db2.gz CTBXWWBGQLWTCO-HKUYNNGSSA-N 1 2 345.512 3.139 20 30 EGEDLO Cc1ccc([C@@H]2CSCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000112637014 454893263 /nfs/dbraw/zinc/89/32/63/454893263.db2.gz CTBXWWBGQLWTCO-HKUYNNGSSA-N 1 2 345.512 3.139 20 30 EGEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCc2cc(-c3ccccc3)oc2C1)C1CC1 ZINC000177716992 454895687 /nfs/dbraw/zinc/89/56/87/454895687.db2.gz XHXGFDFFFGRPGX-NRFANRHFSA-N 1 2 349.434 3.113 20 30 EGEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCc2cc(-c3ccccc3)oc2C1)C1CC1 ZINC000177716992 454895690 /nfs/dbraw/zinc/89/56/90/454895690.db2.gz XHXGFDFFFGRPGX-NRFANRHFSA-N 1 2 349.434 3.113 20 30 EGEDLO Cc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc1[N+](=O)[O-] ZINC000126924656 454927281 /nfs/dbraw/zinc/92/72/81/454927281.db2.gz JEDSLUVNVWJSEZ-UHFFFAOYSA-N 1 2 336.395 3.097 20 30 EGEDLO C[N@H+](Cc1cn2ccccc2c1C#N)Cc1ccc([S@](C)=O)cc1 ZINC000178436045 454955232 /nfs/dbraw/zinc/95/52/32/454955232.db2.gz HGDNJALGORJLOH-DEOSSOPVSA-N 1 2 337.448 3.180 20 30 EGEDLO C[N@@H+](Cc1cn2ccccc2c1C#N)Cc1ccc([S@](C)=O)cc1 ZINC000178436045 454955238 /nfs/dbraw/zinc/95/52/38/454955238.db2.gz HGDNJALGORJLOH-DEOSSOPVSA-N 1 2 337.448 3.180 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)c(F)c1 ZINC000116305798 455051611 /nfs/dbraw/zinc/05/16/11/455051611.db2.gz RLTOLTCGECENKI-UHFFFAOYSA-N 1 2 344.821 3.064 20 30 EGEDLO C=CCCCCCN(C)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000128738769 455080700 /nfs/dbraw/zinc/08/07/00/455080700.db2.gz BZGZHKOMHNULDQ-UHFFFAOYSA-N 1 2 330.472 3.337 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@](C)(C#N)CCc1ccccc1 ZINC000171835314 455097848 /nfs/dbraw/zinc/09/78/48/455097848.db2.gz KUUNNWJGBHVYNI-OAQYLSRUSA-N 1 2 346.434 3.376 20 30 EGEDLO C=CCOc1cccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000129125682 455098452 /nfs/dbraw/zinc/09/84/52/455098452.db2.gz KTLNMCKHFYMQON-GOSISDBHSA-N 1 2 339.395 3.332 20 30 EGEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cs1 ZINC000180363256 455161383 /nfs/dbraw/zinc/16/13/83/455161383.db2.gz FSGMBXKLWKNCJZ-JTQLQIEISA-N 1 2 334.401 3.261 20 30 EGEDLO N#Cc1cccc(C[NH2+]Cc2cn(-c3ccc(F)c(Cl)c3)nn2)c1 ZINC000181503225 455345250 /nfs/dbraw/zinc/34/52/50/455345250.db2.gz YLWDNWRTNPGAKH-UHFFFAOYSA-N 1 2 341.777 3.221 20 30 EGEDLO CC[C@H](CC#N)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000184096207 455353278 /nfs/dbraw/zinc/35/32/78/455353278.db2.gz PQKGOQCMTSADLI-CQSZACIVSA-N 1 2 333.233 3.417 20 30 EGEDLO C=CC[N@@H+](CCOC)CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000191132757 455449316 /nfs/dbraw/zinc/44/93/16/455449316.db2.gz HSMSRFCPHPZPPD-OAHLLOKOSA-N 1 2 334.485 3.038 20 30 EGEDLO C=CC[N@H+](CCOC)CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000191132757 455449320 /nfs/dbraw/zinc/44/93/20/455449320.db2.gz HSMSRFCPHPZPPD-OAHLLOKOSA-N 1 2 334.485 3.038 20 30 EGEDLO C[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)C[C@@H](c2ccsc2)O1 ZINC000246430200 455488805 /nfs/dbraw/zinc/48/88/05/455488805.db2.gz KGBRWLWFLJEDRC-KSSFIOAISA-N 1 2 328.437 3.461 20 30 EGEDLO C[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2)C[C@@H](c2ccsc2)O1 ZINC000246430200 455488809 /nfs/dbraw/zinc/48/88/09/455488809.db2.gz KGBRWLWFLJEDRC-KSSFIOAISA-N 1 2 328.437 3.461 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000292308504 455624996 /nfs/dbraw/zinc/62/49/96/455624996.db2.gz QMPAXZWAUVSXHU-UHFFFAOYSA-N 1 2 330.476 3.159 20 30 EGEDLO N#CCC[N@H+](CC1CC1)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000192610738 455653276 /nfs/dbraw/zinc/65/32/76/455653276.db2.gz JCILYPIQXNQXJT-MRXNPFEDSA-N 1 2 335.810 3.210 20 30 EGEDLO N#CCC[N@@H+](CC1CC1)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000192610738 455653278 /nfs/dbraw/zinc/65/32/78/455653278.db2.gz JCILYPIQXNQXJT-MRXNPFEDSA-N 1 2 335.810 3.210 20 30 EGEDLO C#CC[C@@H](Nc1cc(N2CCCC[C@@H]2CO)nc[nH+]1)c1ccccc1 ZINC000277949690 455717632 /nfs/dbraw/zinc/71/76/32/455717632.db2.gz XPHMJAKYBSLCTI-QZTJIDSGSA-N 1 2 336.439 3.004 20 30 EGEDLO C#CC[C@@H](Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1)c1ccccc1 ZINC000277949690 455717637 /nfs/dbraw/zinc/71/76/37/455717637.db2.gz XPHMJAKYBSLCTI-QZTJIDSGSA-N 1 2 336.439 3.004 20 30 EGEDLO C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1c(F)cccc1F ZINC000271743802 455742502 /nfs/dbraw/zinc/74/25/02/455742502.db2.gz JBOVPBOXNUBTKS-CYBMUJFWSA-N 1 2 335.398 3.300 20 30 EGEDLO Cc1cc(N2CCN(c3cc(C#N)ccn3)CC2)c2cccc(F)c2[nH+]1 ZINC000268995833 455757694 /nfs/dbraw/zinc/75/76/94/455757694.db2.gz KOWOGQRASBETNW-UHFFFAOYSA-N 1 2 347.397 3.276 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000249716693 455769017 /nfs/dbraw/zinc/76/90/17/455769017.db2.gz JBHHSFOPDPMTKN-UONOGXRCSA-N 1 2 344.484 3.297 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000249716693 455769020 /nfs/dbraw/zinc/76/90/20/455769020.db2.gz JBHHSFOPDPMTKN-UONOGXRCSA-N 1 2 344.484 3.297 20 30 EGEDLO C[C@@H](C#N)C[N@H+](C)C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000293003529 455770446 /nfs/dbraw/zinc/77/04/46/455770446.db2.gz GXFHLTROFKKFRQ-HZMBPMFUSA-N 1 2 345.668 3.401 20 30 EGEDLO C[C@@H](C#N)C[N@@H+](C)C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000293003529 455770449 /nfs/dbraw/zinc/77/04/49/455770449.db2.gz GXFHLTROFKKFRQ-HZMBPMFUSA-N 1 2 345.668 3.401 20 30 EGEDLO C=CCNC(=O)c1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000193923342 455786970 /nfs/dbraw/zinc/78/69/70/455786970.db2.gz LSEPIZUGSWMACY-UHFFFAOYSA-N 1 2 332.407 3.400 20 30 EGEDLO N#C[C@@]1(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC12CCCC2 ZINC000294356478 455812528 /nfs/dbraw/zinc/81/25/28/455812528.db2.gz GVRKZZMPTPRMFC-HXUWFJFHSA-N 1 2 338.455 3.162 20 30 EGEDLO N#C[C@]1(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC12CCCC2 ZINC000294346210 455812973 /nfs/dbraw/zinc/81/29/73/455812973.db2.gz HXPRUCUFSPXVMS-FQEVSTJZSA-N 1 2 334.423 3.022 20 30 EGEDLO Cc1ccn2cc(CNC(=O)NC3(c4cccc(C#N)c4)CC3)[nH+]c2c1 ZINC000269664669 455851438 /nfs/dbraw/zinc/85/14/38/455851438.db2.gz KMSOZHIVGXKQBS-UHFFFAOYSA-N 1 2 345.406 3.003 20 30 EGEDLO N#CC1(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CCCC1 ZINC000279494209 455865979 /nfs/dbraw/zinc/86/59/79/455865979.db2.gz IYEFAMGYFZLOKO-UHFFFAOYSA-N 1 2 326.444 3.009 20 30 EGEDLO CCCc1noc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)n1 ZINC000285543005 455866895 /nfs/dbraw/zinc/86/68/95/455866895.db2.gz QRNGEQBVKTYNFI-UHFFFAOYSA-N 1 2 344.390 3.076 20 30 EGEDLO Cc1cccn2cc(COc3ccc(C(=O)N[C@H](C)CC#N)cc3)[nH+]c12 ZINC000194740178 455878321 /nfs/dbraw/zinc/87/83/21/455878321.db2.gz LRISIPGJCBAZFX-OAHLLOKOSA-N 1 2 348.406 3.254 20 30 EGEDLO CC(C)(C)C1CCC(C#N)(NC(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000187286929 455891529 /nfs/dbraw/zinc/89/15/29/455891529.db2.gz IVUCCXHNIOCICB-UHFFFAOYSA-N 1 2 338.455 3.492 20 30 EGEDLO Cc1noc(C)c1C[NH+]1CCN(c2cccc(Cl)c2C#N)CC1 ZINC000296636834 455997176 /nfs/dbraw/zinc/99/71/76/455997176.db2.gz WCGXKYIJYAFDER-UHFFFAOYSA-N 1 2 330.819 3.139 20 30 EGEDLO CC1(C#N)CC[NH+](CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000272588468 456004424 /nfs/dbraw/zinc/00/44/24/456004424.db2.gz PFHXQFDMQYKTFD-UHFFFAOYSA-N 1 2 325.334 3.270 20 30 EGEDLO N#CCC[C@@H](NC(=O)C1CC[NH+](CC(F)F)CC1)c1ccccc1 ZINC000288401659 456095083 /nfs/dbraw/zinc/09/50/83/456095083.db2.gz ZEAHRSQLJYSWQJ-MRXNPFEDSA-N 1 2 335.398 3.125 20 30 EGEDLO COc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1OCc1cccnc1 ZINC000271131602 456134954 /nfs/dbraw/zinc/13/49/54/456134954.db2.gz OQZIHYOCIOKFGP-HNNXBMFYSA-N 1 2 325.412 3.261 20 30 EGEDLO COc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1OCc1cccnc1 ZINC000271131602 456134961 /nfs/dbraw/zinc/13/49/61/456134961.db2.gz OQZIHYOCIOKFGP-HNNXBMFYSA-N 1 2 325.412 3.261 20 30 EGEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000281202001 456163436 /nfs/dbraw/zinc/16/34/36/456163436.db2.gz YFNQKMLWOYHIKK-DOTOQJQBSA-N 1 2 340.427 3.190 20 30 EGEDLO C=CC[C@@H](CC)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000281273997 456185913 /nfs/dbraw/zinc/18/59/13/456185913.db2.gz GBRPIYFNKXYQLP-OAHLLOKOSA-N 1 2 328.416 3.438 20 30 EGEDLO COc1cc(CNc2[nH+]cccc2OCCCC#N)cc2c1OCO2 ZINC000274236383 456252973 /nfs/dbraw/zinc/25/29/73/456252973.db2.gz BCEOMWLVTWSHNR-UHFFFAOYSA-N 1 2 341.367 3.114 20 30 EGEDLO CN(C(=O)c1cccc(CC#N)c1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352764233 456285578 /nfs/dbraw/zinc/28/55/78/456285578.db2.gz VUUNYXSSLQOKFG-GOSISDBHSA-N 1 2 330.391 3.337 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCCNc1nc2ccccn2c1C#N ZINC000302104730 456287908 /nfs/dbraw/zinc/28/79/08/456287908.db2.gz RLIOQKKBATWGSK-UHFFFAOYSA-N 1 2 330.395 3.366 20 30 EGEDLO N#CCc1cccc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000342890563 456296599 /nfs/dbraw/zinc/29/65/99/456296599.db2.gz XOJJYZUCZWHEQT-UITAMQMPSA-N 1 2 345.446 3.224 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000352802088 456321146 /nfs/dbraw/zinc/32/11/46/456321146.db2.gz LIPWUPBXOOMLLP-BRWVUGGUSA-N 1 2 348.487 3.043 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000352802088 456321153 /nfs/dbraw/zinc/32/11/53/456321153.db2.gz LIPWUPBXOOMLLP-BRWVUGGUSA-N 1 2 348.487 3.043 20 30 EGEDLO Cc1ccc2c(c1)C[N@@H+](Cc1nnc(-c3cccc(C#N)c3)o1)CCO2 ZINC000352813675 456329963 /nfs/dbraw/zinc/32/99/63/456329963.db2.gz CKSNAPYMIQHRDQ-UHFFFAOYSA-N 1 2 346.390 3.311 20 30 EGEDLO Cc1ccc2c(c1)C[N@H+](Cc1nnc(-c3cccc(C#N)c3)o1)CCO2 ZINC000352813675 456329970 /nfs/dbraw/zinc/32/99/70/456329970.db2.gz CKSNAPYMIQHRDQ-UHFFFAOYSA-N 1 2 346.390 3.311 20 30 EGEDLO Cn1ccnc1[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(F)cc1 ZINC000347731689 456336124 /nfs/dbraw/zinc/33/61/24/456336124.db2.gz YPKPJUVYXNATLC-MRXNPFEDSA-N 1 2 326.400 3.372 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(Cl)ccc2OCC2CC2)C1=O ZINC000337200657 456336657 /nfs/dbraw/zinc/33/66/57/456336657.db2.gz BYDWFVXLGLNQJU-QGZVFWFLSA-N 1 2 348.874 3.348 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2OCC2CC2)C1=O ZINC000337200657 456336665 /nfs/dbraw/zinc/33/66/65/456336665.db2.gz BYDWFVXLGLNQJU-QGZVFWFLSA-N 1 2 348.874 3.348 20 30 EGEDLO CC(C)c1nc(NCCCc2[nH]nc(N)c2C#N)cc(C(C)(C)C)[nH+]1 ZINC000302792988 456402381 /nfs/dbraw/zinc/40/23/81/456402381.db2.gz ZVYVJUVQAPGKHA-UHFFFAOYSA-N 1 2 341.463 3.119 20 30 EGEDLO C=C(C)COc1cccc(NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)c1 ZINC000352936195 456420988 /nfs/dbraw/zinc/42/09/88/456420988.db2.gz NADYLPIIAGXHSK-LJQANCHMSA-N 1 2 344.455 3.081 20 30 EGEDLO C=C(C)COc1cccc(NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)c1 ZINC000352936195 456420991 /nfs/dbraw/zinc/42/09/91/456420991.db2.gz NADYLPIIAGXHSK-LJQANCHMSA-N 1 2 344.455 3.081 20 30 EGEDLO C[C@@H](CCC#N)[N@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000298351216 456432848 /nfs/dbraw/zinc/43/28/48/456432848.db2.gz BXABNQDBSLRICQ-LBPRGKRZSA-N 1 2 348.248 3.154 20 30 EGEDLO C[C@@H](CCC#N)[N@@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000298351216 456432850 /nfs/dbraw/zinc/43/28/50/456432850.db2.gz BXABNQDBSLRICQ-LBPRGKRZSA-N 1 2 348.248 3.154 20 30 EGEDLO N#Cc1ccc(F)cc1CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000348067757 456452802 /nfs/dbraw/zinc/45/28/02/456452802.db2.gz FIOPJVVZNAZTIA-UHFFFAOYSA-N 1 2 327.378 3.154 20 30 EGEDLO CCCCCCCC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000298499750 456473056 /nfs/dbraw/zinc/47/30/56/456473056.db2.gz HFVUTVXOWNBOHN-MRXNPFEDSA-N 1 2 333.476 3.283 20 30 EGEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000343265651 456494829 /nfs/dbraw/zinc/49/48/29/456494829.db2.gz DMMSUFYNVHWMRN-HNNXBMFYSA-N 1 2 346.390 3.366 20 30 EGEDLO N#CCC[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000298698146 456519852 /nfs/dbraw/zinc/51/98/52/456519852.db2.gz ZRYLONAYJBSVCH-NSHDSACASA-N 1 2 337.139 3.005 20 30 EGEDLO Cc1[nH+]c[nH]c1CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000353167997 456536745 /nfs/dbraw/zinc/53/67/45/456536745.db2.gz WDUKTEPWKQQZNK-UHFFFAOYSA-N 1 2 332.363 3.312 20 30 EGEDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)NC1(C#N)CCCCC1 ZINC000298855125 456555806 /nfs/dbraw/zinc/55/58/06/456555806.db2.gz DUNRGOKGMDCMDM-QWHCGFSZSA-N 1 2 335.398 3.347 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000348239028 456561878 /nfs/dbraw/zinc/56/18/78/456561878.db2.gz PAFZTPPZNSQUFS-VKJFTORMSA-N 1 2 348.512 3.151 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000348239028 456561883 /nfs/dbraw/zinc/56/18/83/456561883.db2.gz PAFZTPPZNSQUFS-VKJFTORMSA-N 1 2 348.512 3.151 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000337864956 456575502 /nfs/dbraw/zinc/57/55/02/456575502.db2.gz KJFMAIPJBXCWRA-UHFFFAOYSA-N 1 2 334.354 3.122 20 30 EGEDLO CC[N@@H+](CC(=O)N(C)[C@H](C)c1cc2ccccc2o1)C[C@H](C)C#N ZINC000353332352 456642644 /nfs/dbraw/zinc/64/26/44/456642644.db2.gz PDLZXLAVCWUULY-HUUCEWRRSA-N 1 2 327.428 3.434 20 30 EGEDLO CC[N@H+](CC(=O)N(C)[C@H](C)c1cc2ccccc2o1)C[C@H](C)C#N ZINC000353332352 456642647 /nfs/dbraw/zinc/64/26/47/456642647.db2.gz PDLZXLAVCWUULY-HUUCEWRRSA-N 1 2 327.428 3.434 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(Cl)c(OC)cc2Cl)C1=O ZINC000343618118 456748515 /nfs/dbraw/zinc/74/85/15/456748515.db2.gz WLWLFTXDZKBRDB-CQSZACIVSA-N 1 2 343.254 3.221 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(Cl)c(OC)cc2Cl)C1=O ZINC000343618118 456748509 /nfs/dbraw/zinc/74/85/09/456748509.db2.gz WLWLFTXDZKBRDB-CQSZACIVSA-N 1 2 343.254 3.221 20 30 EGEDLO CN(C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1)c1ccc(F)cc1 ZINC000328894061 456786438 /nfs/dbraw/zinc/78/64/38/456786438.db2.gz ANPGVFRUFMKLHA-MRXNPFEDSA-N 1 2 346.406 3.077 20 30 EGEDLO C[C@@H]1C[C@H](C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CCC1=O ZINC000328951063 456798443 /nfs/dbraw/zinc/79/84/43/456798443.db2.gz LLIREBMPFZWTOZ-MGPQQGTHSA-N 1 2 331.460 3.457 20 30 EGEDLO COc1ccc2c(c1OC)CC[N@@H+](Cc1ccc(C#N)cc1F)C2 ZINC000340992977 456804460 /nfs/dbraw/zinc/80/44/60/456804460.db2.gz HKOATLOFYJGILM-UHFFFAOYSA-N 1 2 326.371 3.273 20 30 EGEDLO COc1ccc2c(c1OC)CC[N@H+](Cc1ccc(C#N)cc1F)C2 ZINC000340992977 456804467 /nfs/dbraw/zinc/80/44/67/456804467.db2.gz HKOATLOFYJGILM-UHFFFAOYSA-N 1 2 326.371 3.273 20 30 EGEDLO O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328999187 456809516 /nfs/dbraw/zinc/80/95/16/456809516.db2.gz VHBLUPGBEYACIV-BQFCYCMXSA-N 1 2 325.412 3.180 20 30 EGEDLO COc1ccccc1C[NH+]1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000301162870 456810728 /nfs/dbraw/zinc/81/07/28/456810728.db2.gz QDGIZXQOZKLDSE-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO Cc1noc([C@H]2CC[N@H+](CC(=O)Nc3ccc(F)c(Cl)c3)C2)n1 ZINC000329011020 456812984 /nfs/dbraw/zinc/81/29/84/456812984.db2.gz DPEIYDTXAOPFAA-JTQLQIEISA-N 1 2 338.770 3.248 20 30 EGEDLO Cc1noc([C@H]2CC[N@@H+](CC(=O)Nc3ccc(F)c(Cl)c3)C2)n1 ZINC000329011020 456812989 /nfs/dbraw/zinc/81/29/89/456812989.db2.gz DPEIYDTXAOPFAA-JTQLQIEISA-N 1 2 338.770 3.248 20 30 EGEDLO Cc1noc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(F)cc3F)C2)n1 ZINC000329013866 456814362 /nfs/dbraw/zinc/81/43/62/456814362.db2.gz FNRILIPSQGKGIG-MWLCHTKSSA-N 1 2 336.342 3.122 20 30 EGEDLO Cc1noc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc(F)cc3F)C2)n1 ZINC000329013866 456814373 /nfs/dbraw/zinc/81/43/73/456814373.db2.gz FNRILIPSQGKGIG-MWLCHTKSSA-N 1 2 336.342 3.122 20 30 EGEDLO C=CC[N@H+](Cc1cc(=O)n2ccsc2n1)Cc1ccccc1F ZINC000341262358 456827432 /nfs/dbraw/zinc/82/74/32/456827432.db2.gz VYHFCEMMYWBWEM-UHFFFAOYSA-N 1 2 329.400 3.083 20 30 EGEDLO C=CC[N@@H+](Cc1cc(=O)n2ccsc2n1)Cc1ccccc1F ZINC000341262358 456827436 /nfs/dbraw/zinc/82/74/36/456827436.db2.gz VYHFCEMMYWBWEM-UHFFFAOYSA-N 1 2 329.400 3.083 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)C[C@@H]1CCC(=O)[C@H]1C)C1CCOCC1 ZINC000329084144 456831316 /nfs/dbraw/zinc/83/13/16/456831316.db2.gz SSSPAWWBQDITLF-DHSIGJKJSA-N 1 2 347.459 3.333 20 30 EGEDLO CCc1[nH+]c2cc(CNC(=O)N(C)C[C@H](C)C#N)ccc2n1C1CC1 ZINC000338757599 456855748 /nfs/dbraw/zinc/85/57/48/456855748.db2.gz UZBZHCXICAEQJI-CYBMUJFWSA-N 1 2 339.443 3.235 20 30 EGEDLO O=C(NCc1cnc2ccccc2c1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329233404 456858530 /nfs/dbraw/zinc/85/85/30/456858530.db2.gz GVEMOUBRQATXDY-LJQANCHMSA-N 1 2 339.439 3.335 20 30 EGEDLO O=C(NCc1cnc2ccccc2c1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329233404 456858536 /nfs/dbraw/zinc/85/85/36/456858536.db2.gz GVEMOUBRQATXDY-LJQANCHMSA-N 1 2 339.439 3.335 20 30 EGEDLO CCc1cc(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)cc(=O)[nH]1 ZINC000329260220 456863405 /nfs/dbraw/zinc/86/34/05/456863405.db2.gz YWUZNEVROFBCHU-CQSZACIVSA-N 1 2 342.443 3.163 20 30 EGEDLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NCC#Cc1ccccc1 ZINC000341436256 456863974 /nfs/dbraw/zinc/86/39/74/456863974.db2.gz SXKDDPFHCHXLQB-LJQANCHMSA-N 1 2 329.403 3.100 20 30 EGEDLO O=C(N[C@@H]1CCOC2(CCCCC2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000329329993 456873623 /nfs/dbraw/zinc/87/36/23/456873623.db2.gz LJKSHGZESCPTSB-MRXNPFEDSA-N 1 2 336.476 3.080 20 30 EGEDLO CC(C)[N@@H+]1CCCC[C@H]1C(=O)Nc1nnc(C2CCOCC2)s1 ZINC000329361610 456879244 /nfs/dbraw/zinc/87/92/44/456879244.db2.gz CNJQVBNXUIWMRT-ZDUSSCGKSA-N 1 2 338.477 3.283 20 30 EGEDLO CC(C)[N@H+]1CCCC[C@H]1C(=O)Nc1nnc(C2CCOCC2)s1 ZINC000329361610 456879251 /nfs/dbraw/zinc/87/92/51/456879251.db2.gz CNJQVBNXUIWMRT-ZDUSSCGKSA-N 1 2 338.477 3.283 20 30 EGEDLO C=CCC(CC=C)C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000344978148 456885516 /nfs/dbraw/zinc/88/55/16/456885516.db2.gz KOQHKIFZSWCOKB-UHFFFAOYSA-N 1 2 340.427 3.106 20 30 EGEDLO O=C(N[C@H]1CCCOc2ccc(F)cc21)C1([NH+]2CCOCC2)CCC1 ZINC000329472297 456896114 /nfs/dbraw/zinc/89/61/14/456896114.db2.gz SEVNETHAMDMPHX-INIZCTEOSA-N 1 2 348.418 3.251 20 30 EGEDLO Cc1nnc([C@H]2CCC[N@H+](CC(=O)NCCC3CCCCC3)C2)[nH]1 ZINC000329488357 456898457 /nfs/dbraw/zinc/89/84/57/456898457.db2.gz UKIXHXRTLXSHGU-INIZCTEOSA-N 1 2 333.480 3.219 20 30 EGEDLO Cc1nnc([C@H]2CCC[N@@H+](CC(=O)NCCC3CCCCC3)C2)[nH]1 ZINC000329488357 456898459 /nfs/dbraw/zinc/89/84/59/456898459.db2.gz UKIXHXRTLXSHGU-INIZCTEOSA-N 1 2 333.480 3.219 20 30 EGEDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC(=O)NCCC3CCCCC3)C2)n1 ZINC000329488357 456898461 /nfs/dbraw/zinc/89/84/61/456898461.db2.gz UKIXHXRTLXSHGU-INIZCTEOSA-N 1 2 333.480 3.219 20 30 EGEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC(=O)NCCC3CCCCC3)C2)n1 ZINC000329488357 456898463 /nfs/dbraw/zinc/89/84/63/456898463.db2.gz UKIXHXRTLXSHGU-INIZCTEOSA-N 1 2 333.480 3.219 20 30 EGEDLO Cc1nc([C@H]2CCC[N@H+](CC(=O)NCCC3CCCCC3)C2)n[nH]1 ZINC000329488357 456898465 /nfs/dbraw/zinc/89/84/65/456898465.db2.gz UKIXHXRTLXSHGU-INIZCTEOSA-N 1 2 333.480 3.219 20 30 EGEDLO Cc1nc([C@H]2CCC[N@@H+](CC(=O)NCCC3CCCCC3)C2)n[nH]1 ZINC000329488357 456898468 /nfs/dbraw/zinc/89/84/68/456898468.db2.gz UKIXHXRTLXSHGU-INIZCTEOSA-N 1 2 333.480 3.219 20 30 EGEDLO CC(C)O[C@@H]1C[C@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1(C)C ZINC000329526048 456905070 /nfs/dbraw/zinc/90/50/70/456905070.db2.gz SWNUFHHVPRBXGK-IXDOHACOSA-N 1 2 338.492 3.178 20 30 EGEDLO CC(C)O[C@@H]1C[C@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1(C)C ZINC000329526048 456905073 /nfs/dbraw/zinc/90/50/73/456905073.db2.gz SWNUFHHVPRBXGK-IXDOHACOSA-N 1 2 338.492 3.178 20 30 EGEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000329559864 456909216 /nfs/dbraw/zinc/90/92/16/456909216.db2.gz RCILHIMNZVDSBG-JHJVBQTASA-N 1 2 344.381 3.070 20 30 EGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NC[C@@H]1CCCCS1)C2 ZINC000329730653 456932809 /nfs/dbraw/zinc/93/28/09/456932809.db2.gz GHDKRVRHSDHKNW-ZDUSSCGKSA-N 1 2 336.505 3.101 20 30 EGEDLO C[C@@H]1Oc2ccccc2[C@H]1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329757728 456936503 /nfs/dbraw/zinc/93/65/03/456936503.db2.gz ZOALANURBIQMNV-SJCJKPOMSA-N 1 2 326.400 3.025 20 30 EGEDLO C[C@@H]1Oc2ccccc2[C@H]1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329757728 456936506 /nfs/dbraw/zinc/93/65/06/456936506.db2.gz ZOALANURBIQMNV-SJCJKPOMSA-N 1 2 326.400 3.025 20 30 EGEDLO C[C@@H](C#N)C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000345156508 456946166 /nfs/dbraw/zinc/94/61/66/456946166.db2.gz DWLFNSMFIQAJQN-ZDUSSCGKSA-N 1 2 348.809 3.254 20 30 EGEDLO Cc1cccc2c1OCC[C@H]2NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329938012 456964370 /nfs/dbraw/zinc/96/43/70/456964370.db2.gz ABZDHZALEIFJFD-GOEBONIOSA-N 1 2 340.427 3.335 20 30 EGEDLO N#C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1c(Cl)cccc1Cl ZINC000349431382 456967946 /nfs/dbraw/zinc/96/79/46/456967946.db2.gz LRWTWLGALIHGAU-YGRLFVJLSA-N 1 2 349.221 3.133 20 30 EGEDLO O=C(C[N@@H+]1CCOC2(CCCC2)C1)N[C@H]1CCOc2ccccc21 ZINC000330135369 456990095 /nfs/dbraw/zinc/99/00/95/456990095.db2.gz SNUUCDLWBKVZRB-INIZCTEOSA-N 1 2 330.428 3.112 20 30 EGEDLO O=C(C[N@H+]1CCOC2(CCCC2)C1)N[C@H]1CCOc2ccccc21 ZINC000330135369 456990101 /nfs/dbraw/zinc/99/01/01/456990101.db2.gz SNUUCDLWBKVZRB-INIZCTEOSA-N 1 2 330.428 3.112 20 30 EGEDLO CCc1ccc([C@@H](C#N)NC(=O)Cn2c(C)[nH+]c3ccccc32)cc1 ZINC000345753290 456991523 /nfs/dbraw/zinc/99/15/23/456991523.db2.gz QJQFHYSUDITUFR-GOSISDBHSA-N 1 2 332.407 3.288 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000362635903 457017890 /nfs/dbraw/zinc/01/78/90/457017890.db2.gz BGOOXXAYSUWEIQ-FQEVSTJZSA-N 1 2 349.434 3.122 20 30 EGEDLO CC[C@H](OC1CCCC1)C(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330327145 457028268 /nfs/dbraw/zinc/02/82/68/457028268.db2.gz KRRRCDAZDMJROO-COXVUDFISA-N 1 2 335.448 3.335 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000341993657 457047960 /nfs/dbraw/zinc/04/79/60/457047960.db2.gz PYMFTPBTSGUIDK-UHFFFAOYSA-N 1 2 346.818 3.142 20 30 EGEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000330578516 457057834 /nfs/dbraw/zinc/05/78/34/457057834.db2.gz HSOMHAYJMFVFIH-ZWKOTPCHSA-N 1 2 343.471 3.049 20 30 EGEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000330578516 457057837 /nfs/dbraw/zinc/05/78/37/457057837.db2.gz HSOMHAYJMFVFIH-ZWKOTPCHSA-N 1 2 343.471 3.049 20 30 EGEDLO CC[C@@](C)(CO)NC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000330789435 457085888 /nfs/dbraw/zinc/08/58/88/457085888.db2.gz ZOJAMOZISCTRNW-KSSFIOAISA-N 1 2 334.464 3.065 20 30 EGEDLO COc1ccc(C[N@@H+]2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)cc1C#N ZINC000339446029 457123585 /nfs/dbraw/zinc/12/35/85/457123585.db2.gz GIFVXNCRYWWHFU-MRXNPFEDSA-N 1 2 342.361 3.499 20 30 EGEDLO COc1ccc(C[N@H+]2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)cc1C#N ZINC000339446029 457123590 /nfs/dbraw/zinc/12/35/90/457123590.db2.gz GIFVXNCRYWWHFU-MRXNPFEDSA-N 1 2 342.361 3.499 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C#N)s1)c1ccccc1F ZINC000362902554 457148175 /nfs/dbraw/zinc/14/81/75/457148175.db2.gz YDJXNCPSPAPRJJ-OAHLLOKOSA-N 1 2 340.383 3.012 20 30 EGEDLO Cc1cc(C)c(NC(=O)NC2CCN(C(=O)CC(C)C)CC2)c(C)[nH+]1 ZINC000331344396 457171171 /nfs/dbraw/zinc/17/11/71/457171171.db2.gz UTGQCPLQZBROSB-UHFFFAOYSA-N 1 2 346.475 3.370 20 30 EGEDLO C[C@H](C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1cccc(C#N)c1 ZINC000359981806 457184201 /nfs/dbraw/zinc/18/42/01/457184201.db2.gz RUQIQWNCDCMWFM-INIZCTEOSA-N 1 2 344.418 3.223 20 30 EGEDLO C[NH+](C)[C@H](CNC(=O)Nc1cccc(C#N)c1)c1c(F)cccc1F ZINC000360050618 457225459 /nfs/dbraw/zinc/22/54/59/457225459.db2.gz AURWRJMRDCSAIC-MRXNPFEDSA-N 1 2 344.365 3.261 20 30 EGEDLO N#CC1(NC(=O)C[N@@H+]2CCS[C@H](c3ccccc3)C2)CCCCC1 ZINC000363177556 457248650 /nfs/dbraw/zinc/24/86/50/457248650.db2.gz VQPDAQXHAXZOJD-KRWDZBQOSA-N 1 2 343.496 3.119 20 30 EGEDLO N#CC1(NC(=O)C[N@H+]2CCS[C@H](c3ccccc3)C2)CCCCC1 ZINC000363177556 457248654 /nfs/dbraw/zinc/24/86/54/457248654.db2.gz VQPDAQXHAXZOJD-KRWDZBQOSA-N 1 2 343.496 3.119 20 30 EGEDLO C[C@H](C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1cccc(C#N)c1 ZINC000360086886 457248921 /nfs/dbraw/zinc/24/89/21/457248921.db2.gz ZYZGXOBLVVRXHR-INIZCTEOSA-N 1 2 348.450 3.363 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000351517113 457302652 /nfs/dbraw/zinc/30/26/52/457302652.db2.gz MBNVEXNXNDFRHW-NRFANRHFSA-N 1 2 342.483 3.381 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000351517113 457302658 /nfs/dbraw/zinc/30/26/58/457302658.db2.gz MBNVEXNXNDFRHW-NRFANRHFSA-N 1 2 342.483 3.381 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cnn(CC(F)F)c1 ZINC000351760860 457317133 /nfs/dbraw/zinc/31/71/33/457317133.db2.gz PAFGDJPCCCRYNY-DLBZAZTESA-N 1 2 330.382 3.420 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cnn(CC(F)F)c1 ZINC000351760860 457317137 /nfs/dbraw/zinc/31/71/37/457317137.db2.gz PAFGDJPCCCRYNY-DLBZAZTESA-N 1 2 330.382 3.420 20 30 EGEDLO Cc1ccc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cn1 ZINC000355310117 457356419 /nfs/dbraw/zinc/35/64/19/457356419.db2.gz HJRBPGNEAIOACF-LJQANCHMSA-N 1 2 340.858 3.426 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CCC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000355392637 457368540 /nfs/dbraw/zinc/36/85/40/457368540.db2.gz LYRUKVSQADDMLI-KRWDZBQOSA-N 1 2 345.487 3.150 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+](CCC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000355392637 457368543 /nfs/dbraw/zinc/36/85/43/457368543.db2.gz LYRUKVSQADDMLI-KRWDZBQOSA-N 1 2 345.487 3.150 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCc2c(Br)cccc2C1 ZINC000355677931 457398864 /nfs/dbraw/zinc/39/88/64/457398864.db2.gz YMRFWCVPKSDLEI-UHFFFAOYSA-N 1 2 349.272 3.008 20 30 EGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000363661796 457403207 /nfs/dbraw/zinc/40/32/07/457403207.db2.gz LLMHBMKRNXAPDX-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000363661796 457403211 /nfs/dbraw/zinc/40/32/11/457403211.db2.gz LLMHBMKRNXAPDX-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(F)(C#N)CC1 ZINC000352489460 457409296 /nfs/dbraw/zinc/40/92/96/457409296.db2.gz AHEOJQMHGKXJGL-LLVKDONJSA-N 1 2 345.334 3.033 20 30 EGEDLO Cc1cc(NCc2[nH+]ccn2CCCc2ccccc2)c(C#N)cn1 ZINC000425226128 457465028 /nfs/dbraw/zinc/46/50/28/457465028.db2.gz HCWFSRDENLWXDJ-UHFFFAOYSA-N 1 2 331.423 3.125 20 30 EGEDLO Cc1cc(N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c(C#N)c[nH+]1 ZINC000425243470 457470073 /nfs/dbraw/zinc/47/00/73/457470073.db2.gz FOMZNWLBPSISJY-DOTOQJQBSA-N 1 2 331.778 3.418 20 30 EGEDLO COc1ccccc1COC1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000425251667 457472674 /nfs/dbraw/zinc/47/26/74/457472674.db2.gz YDXDXMYNBIANFH-UHFFFAOYSA-N 1 2 337.423 3.456 20 30 EGEDLO C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000342730337 457484978 /nfs/dbraw/zinc/48/49/78/457484978.db2.gz JUVZOQODHLYCCZ-AWEZNQCLSA-N 1 2 341.411 3.003 20 30 EGEDLO CC[C@H](C)[N@H+](CC(=O)OC(C)(C)C)Cc1cnc2ccc(C#N)cn12 ZINC000342768310 457511744 /nfs/dbraw/zinc/51/17/44/457511744.db2.gz KNKJVOCTASMXGC-AWEZNQCLSA-N 1 2 342.443 3.148 20 30 EGEDLO CC[C@H](C)[N@@H+](CC(=O)OC(C)(C)C)Cc1cnc2ccc(C#N)cn12 ZINC000342768310 457511752 /nfs/dbraw/zinc/51/17/52/457511752.db2.gz KNKJVOCTASMXGC-AWEZNQCLSA-N 1 2 342.443 3.148 20 30 EGEDLO CC[C@H](C)N(CC(=O)OC(C)(C)C)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000342768310 457511759 /nfs/dbraw/zinc/51/17/59/457511759.db2.gz KNKJVOCTASMXGC-AWEZNQCLSA-N 1 2 342.443 3.148 20 30 EGEDLO Cc1ccc2[nH+]cc(CN3CCO[C@@H](c4cccc(C#N)c4)C3)n2c1 ZINC000374282447 457566438 /nfs/dbraw/zinc/56/64/38/457566438.db2.gz HFFSXUJBMKNCPJ-LJQANCHMSA-N 1 2 332.407 3.088 20 30 EGEDLO C[C@H](NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc(C#N)cc1 ZINC000352738692 457572523 /nfs/dbraw/zinc/57/25/23/457572523.db2.gz KDXJDICNYSGJFB-AWEZNQCLSA-N 1 2 346.394 3.081 20 30 EGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(C#N)s2)CC1 ZINC000361252187 457667889 /nfs/dbraw/zinc/66/78/89/457667889.db2.gz QGRGYHHWEKURKY-LBPRGKRZSA-N 1 2 331.466 3.200 20 30 EGEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000357822763 457701934 /nfs/dbraw/zinc/70/19/34/457701934.db2.gz IRMXEKUESJOKML-SFHVURJKSA-N 1 2 349.438 3.141 20 30 EGEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000357821104 457701964 /nfs/dbraw/zinc/70/19/64/457701964.db2.gz IRMXEKUESJOKML-GOSISDBHSA-N 1 2 349.438 3.141 20 30 EGEDLO CCS(=O)(=O)CCCCC[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000365055957 457725591 /nfs/dbraw/zinc/72/55/91/457725591.db2.gz RMLWPJGENFIKIN-RTBURBONSA-N 1 2 348.512 3.363 20 30 EGEDLO CCS(=O)(=O)CCCCC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000365055957 457725593 /nfs/dbraw/zinc/72/55/93/457725593.db2.gz RMLWPJGENFIKIN-RTBURBONSA-N 1 2 348.512 3.363 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000365213754 457731519 /nfs/dbraw/zinc/73/15/19/457731519.db2.gz BLATWELPVYJAFE-AEFFLSMTSA-N 1 2 335.398 3.156 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000365213754 457731523 /nfs/dbraw/zinc/73/15/23/457731523.db2.gz BLATWELPVYJAFE-AEFFLSMTSA-N 1 2 335.398 3.156 20 30 EGEDLO C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C#N)c1ccc2c(c1)CCCC2 ZINC000433326760 457812403 /nfs/dbraw/zinc/81/24/03/457812403.db2.gz PDJSSGPHPNVSSE-OAHLLOKOSA-N 1 2 327.472 3.224 20 30 EGEDLO C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C#N)c1ccc2c(c1)CCCC2 ZINC000433326760 457812408 /nfs/dbraw/zinc/81/24/08/457812408.db2.gz PDJSSGPHPNVSSE-OAHLLOKOSA-N 1 2 327.472 3.224 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)Nc1nccs1 ZINC000411180695 457821626 /nfs/dbraw/zinc/82/16/26/457821626.db2.gz SGFKMNIAGVWJJF-CYBMUJFWSA-N 1 2 331.441 3.167 20 30 EGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)Nc1nccs1 ZINC000411180695 457821630 /nfs/dbraw/zinc/82/16/30/457821630.db2.gz SGFKMNIAGVWJJF-CYBMUJFWSA-N 1 2 331.441 3.167 20 30 EGEDLO N#C[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000433376473 457824652 /nfs/dbraw/zinc/82/46/52/457824652.db2.gz JTWDHJIAISVDBJ-GOSISDBHSA-N 1 2 344.418 3.261 20 30 EGEDLO N#C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)c(Cl)c1 ZINC000375317668 457878955 /nfs/dbraw/zinc/87/89/55/457878955.db2.gz FWQHWMCJIXQTQD-BXUZGUMPSA-N 1 2 349.221 3.133 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc(F)c3F)CC2)cc1F ZINC000361836836 457896745 /nfs/dbraw/zinc/89/67/45/457896745.db2.gz ICMWAVKGZCIOJJ-UHFFFAOYSA-N 1 2 331.341 3.298 20 30 EGEDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)Cc2ccccc21 ZINC000361862948 457914771 /nfs/dbraw/zinc/91/47/71/457914771.db2.gz RXPNXRQRQQRHFQ-SFHVURJKSA-N 1 2 338.382 3.360 20 30 EGEDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)Cc2ccccc21 ZINC000361862948 457914778 /nfs/dbraw/zinc/91/47/78/457914778.db2.gz RXPNXRQRQQRHFQ-SFHVURJKSA-N 1 2 338.382 3.360 20 30 EGEDLO CN(C)c1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1F ZINC000371458381 457940602 /nfs/dbraw/zinc/94/06/02/457940602.db2.gz KHCZFXLNLHTZNE-FQEVSTJZSA-N 1 2 339.414 3.337 20 30 EGEDLO CN(C)c1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1F ZINC000371458381 457940606 /nfs/dbraw/zinc/94/06/06/457940606.db2.gz KHCZFXLNLHTZNE-FQEVSTJZSA-N 1 2 339.414 3.337 20 30 EGEDLO Cc1cccc2[nH+]cc(CN3CCO[C@H](c4cccc(C#N)c4)C3)n21 ZINC000371463830 457943924 /nfs/dbraw/zinc/94/39/24/457943924.db2.gz LTKVGWKCURGDRE-IBGZPJMESA-N 1 2 332.407 3.088 20 30 EGEDLO N#Cc1ccc(Nc2cccc(C(=O)Nc3cc[nH+]cc3O)c2)cc1 ZINC000358344359 457948149 /nfs/dbraw/zinc/94/81/49/457948149.db2.gz WKMGRRFYQUXWTQ-UHFFFAOYSA-N 1 2 330.347 3.077 20 30 EGEDLO C[C@H]([NH2+]Cc1nccc(N)n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000371705562 458041730 /nfs/dbraw/zinc/04/17/30/458041730.db2.gz DRMSTJMVMBTWPU-AWEZNQCLSA-N 1 2 329.407 3.279 20 30 EGEDLO COC(=O)[C@@H]([NH2+]C1CCC2(CCOCC2)CC1)c1cccc(C#N)c1 ZINC000371902046 458113639 /nfs/dbraw/zinc/11/36/39/458113639.db2.gz JYFTWZFLVPYBCE-SFHVURJKSA-N 1 2 342.439 3.101 20 30 EGEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1F)C1CC1 ZINC000372103327 458194809 /nfs/dbraw/zinc/19/48/09/458194809.db2.gz SYSJKMPXUFXSLS-PKOBYXMFSA-N 1 2 347.409 3.300 20 30 EGEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCC[C@H]1c1ccc(F)cc1F)C1CC1 ZINC000372103327 458194816 /nfs/dbraw/zinc/19/48/16/458194816.db2.gz SYSJKMPXUFXSLS-PKOBYXMFSA-N 1 2 347.409 3.300 20 30 EGEDLO C=C(CC)CNC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000459079911 458260956 /nfs/dbraw/zinc/26/09/56/458260956.db2.gz PFFPYZLIOQLNPJ-MRXNPFEDSA-N 1 2 331.460 3.050 20 30 EGEDLO C=CCn1c(=[NH2+])[n-]nc1SCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000412995876 458290708 /nfs/dbraw/zinc/29/07/08/458290708.db2.gz SWFHSOVNBTYIJX-UHFFFAOYSA-N 1 2 343.500 3.155 20 30 EGEDLO COc1ccc(C[N@H+](C)C[C@@H](C)C#N)c(OCc2cccnc2)c1 ZINC000447743680 458336709 /nfs/dbraw/zinc/33/67/09/458336709.db2.gz HPTOQDAZLLITDP-HNNXBMFYSA-N 1 2 325.412 3.261 20 30 EGEDLO COc1ccc(C[N@@H+](C)C[C@@H](C)C#N)c(OCc2cccnc2)c1 ZINC000447743680 458336714 /nfs/dbraw/zinc/33/67/14/458336714.db2.gz HPTOQDAZLLITDP-HNNXBMFYSA-N 1 2 325.412 3.261 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459360530 458343386 /nfs/dbraw/zinc/34/33/86/458343386.db2.gz OQCNXEQJRHJQEC-MSOLQXFVSA-N 1 2 334.423 3.331 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459360530 458343395 /nfs/dbraw/zinc/34/33/95/458343395.db2.gz OQCNXEQJRHJQEC-MSOLQXFVSA-N 1 2 334.423 3.331 20 30 EGEDLO CC[C@@H](C[NH2+][C@@H](C(=O)OC)c1cccc(C#N)c1)CC(F)(F)F ZINC000419316087 458380263 /nfs/dbraw/zinc/38/02/63/458380263.db2.gz KSVRVNPWMQIIFG-BXUZGUMPSA-N 1 2 328.334 3.341 20 30 EGEDLO COCC[N@H+](CC#Cc1ccc(Cl)cc1)Cc1c(C)nn(C)c1C ZINC000459579351 458417570 /nfs/dbraw/zinc/41/75/70/458417570.db2.gz ZCMKWHDRXGQAOH-UHFFFAOYSA-N 1 2 345.874 3.190 20 30 EGEDLO COCC[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1c(C)nn(C)c1C ZINC000459579351 458417573 /nfs/dbraw/zinc/41/75/73/458417573.db2.gz ZCMKWHDRXGQAOH-UHFFFAOYSA-N 1 2 345.874 3.190 20 30 EGEDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCc2c1cccc2C#N ZINC000421649584 458420095 /nfs/dbraw/zinc/42/00/95/458420095.db2.gz DMVREHSSLXGQJQ-UHFFFAOYSA-N 1 2 330.391 3.060 20 30 EGEDLO C=CCOc1cccc(NC(=O)[C@H](C(CC)CC)[NH+]2CCOCC2)c1 ZINC000460972034 458542913 /nfs/dbraw/zinc/54/29/13/458542913.db2.gz ZPLABXBHGBZLHN-IBGZPJMESA-N 1 2 346.471 3.327 20 30 EGEDLO CC(C)(NC(=O)/C=C\c1cn(CCC#N)c2ccccc12)c1[nH]cc[nH+]1 ZINC000493849067 458586660 /nfs/dbraw/zinc/58/66/60/458586660.db2.gz HZKNHCDVIXLHRV-HJWRWDBZSA-N 1 2 347.422 3.343 20 30 EGEDLO C=C(CC)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000455534703 458603247 /nfs/dbraw/zinc/60/32/47/458603247.db2.gz AAVCNCFQAYKDSS-OAHLLOKOSA-N 1 2 332.835 3.428 20 30 EGEDLO C=CCn1cc(C[NH2+][C@H](C)c2oc3ccc(OC)cc3c2C)nn1 ZINC000424299606 458609535 /nfs/dbraw/zinc/60/95/35/458609535.db2.gz VSENBTBBZPIGQK-CYBMUJFWSA-N 1 2 326.400 3.378 20 30 EGEDLO N#CCc1cccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000455939166 458622793 /nfs/dbraw/zinc/62/27/93/458622793.db2.gz FKWADJILQGFNJU-UHFFFAOYSA-N 1 2 335.411 3.070 20 30 EGEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1C(F)F ZINC000502787140 458669125 /nfs/dbraw/zinc/66/91/25/458669125.db2.gz ARLKPFNOKVQGAB-HZPDHXFCSA-N 1 2 325.399 3.274 20 30 EGEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1C(F)F ZINC000502787140 458669132 /nfs/dbraw/zinc/66/91/32/458669132.db2.gz ARLKPFNOKVQGAB-HZPDHXFCSA-N 1 2 325.399 3.274 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000424598784 458675299 /nfs/dbraw/zinc/67/52/99/458675299.db2.gz RMFKNVJIAQKGLN-GOSISDBHSA-N 1 2 330.472 3.087 20 30 EGEDLO C=CC[N@@H+](C)CC(=O)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000494639519 458715117 /nfs/dbraw/zinc/71/51/17/458715117.db2.gz VVVPUJOMWRTEFA-LJQANCHMSA-N 1 2 348.874 3.255 20 30 EGEDLO C=CC[N@H+](C)CC(=O)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000494639519 458715122 /nfs/dbraw/zinc/71/51/22/458715122.db2.gz VVVPUJOMWRTEFA-LJQANCHMSA-N 1 2 348.874 3.255 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000439966658 458771361 /nfs/dbraw/zinc/77/13/61/458771361.db2.gz KUTHJZLWRDAENE-KGLIPLIRSA-N 1 2 340.452 3.478 20 30 EGEDLO C=CCC[C@@H](O)C[N@@H+](C)[C@H](C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000472672031 458806101 /nfs/dbraw/zinc/80/61/01/458806101.db2.gz XYMROUASIPFRJX-DOMZBBRYSA-N 1 2 346.254 3.466 20 30 EGEDLO C=CCC[C@@H](O)C[N@H+](C)[C@H](C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000472672031 458806106 /nfs/dbraw/zinc/80/61/06/458806106.db2.gz XYMROUASIPFRJX-DOMZBBRYSA-N 1 2 346.254 3.466 20 30 EGEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)C3(C#N)CC(C)C3)CC2)cc1 ZINC000516331786 458817312 /nfs/dbraw/zinc/81/73/12/458817312.db2.gz IXSOFXAXFCIYIV-UHFFFAOYSA-N 1 2 339.483 3.394 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cnc(OC)c(Cl)c1 ZINC000552006503 458890497 /nfs/dbraw/zinc/89/04/97/458890497.db2.gz DISGWMPHEQHXRD-UHFFFAOYSA-N 1 2 336.819 3.407 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cnc(OC)c(Cl)c1 ZINC000552006503 458890501 /nfs/dbraw/zinc/89/05/01/458890501.db2.gz DISGWMPHEQHXRD-UHFFFAOYSA-N 1 2 336.819 3.407 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495656410 458910100 /nfs/dbraw/zinc/91/01/00/458910100.db2.gz JDPVCRUHIIQMJL-AWEZNQCLSA-N 1 2 333.270 3.132 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495656410 458910104 /nfs/dbraw/zinc/91/01/04/458910104.db2.gz JDPVCRUHIIQMJL-AWEZNQCLSA-N 1 2 333.270 3.132 20 30 EGEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000566428299 458930420 /nfs/dbraw/zinc/93/04/20/458930420.db2.gz DKJJCGGBEWEORF-KBPBESRZSA-N 1 2 334.489 3.479 20 30 EGEDLO N#Cc1cc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)ccc1Cl ZINC000576846679 458934109 /nfs/dbraw/zinc/93/41/09/458934109.db2.gz MJCKEBOGJIBPBQ-UHFFFAOYSA-N 1 2 337.770 3.104 20 30 EGEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000442494985 459010953 /nfs/dbraw/zinc/01/09/53/459010953.db2.gz MCDPHRDEFQMOIN-GFCCVEGCSA-N 1 2 344.933 3.353 20 30 EGEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cc(C(C)(C)C)on1 ZINC000577444921 459032232 /nfs/dbraw/zinc/03/22/32/459032232.db2.gz NVERSJCFKKHWKZ-UHFFFAOYSA-N 1 2 327.428 3.492 20 30 EGEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cc(C(C)(C)C)on1 ZINC000577444921 459032235 /nfs/dbraw/zinc/03/22/35/459032235.db2.gz NVERSJCFKKHWKZ-UHFFFAOYSA-N 1 2 327.428 3.492 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)c2[nH+]ccn21 ZINC000557108068 459049285 /nfs/dbraw/zinc/04/92/85/459049285.db2.gz QIENUAUHENUWIH-OAUYIBNBSA-N 1 2 335.411 3.137 20 30 EGEDLO C=CC[N@@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)Cc1cccc(C#N)c1 ZINC000521091002 459119360 /nfs/dbraw/zinc/11/93/60/459119360.db2.gz BNHHPCVFMHDOMP-FUHIMQAGSA-N 1 2 339.483 3.487 20 30 EGEDLO C=CC[N@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)Cc1cccc(C#N)c1 ZINC000521091002 459119366 /nfs/dbraw/zinc/11/93/66/459119366.db2.gz BNHHPCVFMHDOMP-FUHIMQAGSA-N 1 2 339.483 3.487 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000578245324 459169961 /nfs/dbraw/zinc/16/99/61/459169961.db2.gz KWZSVKBFSGIUOP-KRWDZBQOSA-N 1 2 337.423 3.486 20 30 EGEDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000532999972 459173243 /nfs/dbraw/zinc/17/32/43/459173243.db2.gz NKFRTXCLFKHRJI-ZFWWWQNUSA-N 1 2 327.346 3.436 20 30 EGEDLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000532999972 459173246 /nfs/dbraw/zinc/17/32/46/459173246.db2.gz NKFRTXCLFKHRJI-ZFWWWQNUSA-N 1 2 327.346 3.436 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccn2)c(C#N)c1C ZINC000533026098 459176895 /nfs/dbraw/zinc/17/68/95/459176895.db2.gz QIGXBTFLLJKXKA-INIZCTEOSA-N 1 2 340.452 3.407 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H]2c2ccccn2)c(C#N)c1C ZINC000533026098 459176899 /nfs/dbraw/zinc/17/68/99/459176899.db2.gz QIGXBTFLLJKXKA-INIZCTEOSA-N 1 2 340.452 3.407 20 30 EGEDLO CC(C)c1nnc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)s1 ZINC000590685811 459180716 /nfs/dbraw/zinc/18/07/16/459180716.db2.gz XSSRBHRCZHSOER-UHFFFAOYSA-N 1 2 341.484 3.245 20 30 EGEDLO CC(C)c1nnc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)s1 ZINC000590685811 459180720 /nfs/dbraw/zinc/18/07/20/459180720.db2.gz XSSRBHRCZHSOER-UHFFFAOYSA-N 1 2 341.484 3.245 20 30 EGEDLO Cc1cc2[nH+]cn(C[C@H](O)CSCC3(C#N)CCC3)c2cc1C ZINC000578337181 459184605 /nfs/dbraw/zinc/18/46/05/459184605.db2.gz QQTSOZLUNNMSLT-HNNXBMFYSA-N 1 2 329.469 3.441 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2cccc(F)c2C#N)C[C@H]1NC(=O)OC(C)(C)C ZINC000496450062 459196904 /nfs/dbraw/zinc/19/69/04/459196904.db2.gz JGUBPHAWVULFEG-MLGOLLRUSA-N 1 2 333.407 3.042 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2C#N)C[C@H]1NC(=O)OC(C)(C)C ZINC000496450062 459196909 /nfs/dbraw/zinc/19/69/09/459196909.db2.gz JGUBPHAWVULFEG-MLGOLLRUSA-N 1 2 333.407 3.042 20 30 EGEDLO COCC[N@H+](CCC#N)Cc1cc(Cl)cc(Br)c1 ZINC000590952973 459280236 /nfs/dbraw/zinc/28/02/36/459280236.db2.gz KYAZKZIOYFYVHH-UHFFFAOYSA-N 1 2 331.641 3.465 20 30 EGEDLO COCC[N@@H+](CCC#N)Cc1cc(Cl)cc(Br)c1 ZINC000590952973 459280239 /nfs/dbraw/zinc/28/02/39/459280239.db2.gz KYAZKZIOYFYVHH-UHFFFAOYSA-N 1 2 331.641 3.465 20 30 EGEDLO N#Cc1c(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)cn2ccccc12 ZINC000523440457 459303076 /nfs/dbraw/zinc/30/30/76/459303076.db2.gz KVDSJDGAEZLUON-CQSZACIVSA-N 1 2 337.345 3.354 20 30 EGEDLO N#Cc1c(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)cn2ccccc12 ZINC000523440457 459303083 /nfs/dbraw/zinc/30/30/83/459303083.db2.gz KVDSJDGAEZLUON-CQSZACIVSA-N 1 2 337.345 3.354 20 30 EGEDLO C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(C)[nH+]cc2C)cc1 ZINC000534323599 459313646 /nfs/dbraw/zinc/31/36/46/459313646.db2.gz IHFYKEVDMIRRAW-UHFFFAOYSA-N 1 2 339.399 3.072 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595610451 459365504 /nfs/dbraw/zinc/36/55/04/459365504.db2.gz YTMAEKMABXQQEI-SFHVURJKSA-N 1 2 338.455 3.176 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595610451 459365509 /nfs/dbraw/zinc/36/55/09/459365509.db2.gz YTMAEKMABXQQEI-SFHVURJKSA-N 1 2 338.455 3.176 20 30 EGEDLO COC(=O)[C@H](C)[N@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000483402377 459366392 /nfs/dbraw/zinc/36/63/92/459366392.db2.gz GVXHHIUFDVMVMO-KRWDZBQOSA-N 1 2 336.435 3.380 20 30 EGEDLO COC(=O)[C@H](C)[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000483402377 459366397 /nfs/dbraw/zinc/36/63/97/459366397.db2.gz GVXHHIUFDVMVMO-KRWDZBQOSA-N 1 2 336.435 3.380 20 30 EGEDLO N#Cc1sccc1N1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000595635266 459377642 /nfs/dbraw/zinc/37/76/42/459377642.db2.gz FKKIARLZWRCZOB-UHFFFAOYSA-N 1 2 342.855 3.467 20 30 EGEDLO COc1cc(N2CCOC(C)(C)C2)ccc1[NH2+]C[C@@H](C#N)CCC#N ZINC000591774482 459433967 /nfs/dbraw/zinc/43/39/67/459433967.db2.gz QMSPBCMNNAWQOL-OAHLLOKOSA-N 1 2 342.443 3.166 20 30 EGEDLO Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+](CCC#N)CCC(C)C ZINC000484920640 459435891 /nfs/dbraw/zinc/43/58/91/459435891.db2.gz RPQDBZIEIHYSMG-GOSISDBHSA-N 1 2 329.488 3.304 20 30 EGEDLO Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+](CCC#N)CCC(C)C ZINC000484920640 459435894 /nfs/dbraw/zinc/43/58/94/459435894.db2.gz RPQDBZIEIHYSMG-GOSISDBHSA-N 1 2 329.488 3.304 20 30 EGEDLO N#Cc1cnc2c(Cl)cccc2c1SCC[NH+]1CCOCC1 ZINC000583200984 459500386 /nfs/dbraw/zinc/50/03/86/459500386.db2.gz STKWQOSVZNVJCQ-UHFFFAOYSA-N 1 2 333.844 3.184 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2C2CCC2)c(Br)c1 ZINC000592156104 459538049 /nfs/dbraw/zinc/53/80/49/459538049.db2.gz IWXRRWUDSJLSDS-MRXNPFEDSA-N 1 2 335.245 3.322 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2C2CCC2)c(Br)c1 ZINC000592156104 459538054 /nfs/dbraw/zinc/53/80/54/459538054.db2.gz IWXRRWUDSJLSDS-MRXNPFEDSA-N 1 2 335.245 3.322 20 30 EGEDLO CCOC(=O)c1c(C)[nH]c(C(=O)C[NH+]2CCC(CCC#N)CC2)c1C ZINC000570329009 459554702 /nfs/dbraw/zinc/55/47/02/459554702.db2.gz DGYSIUNACFEQHK-UHFFFAOYSA-N 1 2 345.443 3.007 20 30 EGEDLO C=CCn1cccc1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000488881415 459555142 /nfs/dbraw/zinc/55/51/42/459555142.db2.gz STMFZBPSHAWFBS-MRXNPFEDSA-N 1 2 339.439 3.320 20 30 EGEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1sc(C)cc1C(=O)OCC ZINC000489491753 459566192 /nfs/dbraw/zinc/56/61/92/459566192.db2.gz CPNDZKOLOJIZGJ-ZDUSSCGKSA-N 1 2 336.457 3.212 20 30 EGEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1sc(C)cc1C(=O)OCC ZINC000489491753 459566197 /nfs/dbraw/zinc/56/61/97/459566197.db2.gz CPNDZKOLOJIZGJ-ZDUSSCGKSA-N 1 2 336.457 3.212 20 30 EGEDLO C#CCN(C(=O)NCc1ccc(N2CCCCC2)[nH+]c1)C1CCCC1 ZINC000490803659 459587540 /nfs/dbraw/zinc/58/75/40/459587540.db2.gz PJQFGNDDBRVNME-UHFFFAOYSA-N 1 2 340.471 3.159 20 30 EGEDLO C#CC[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCc2ccccc21 ZINC000490842015 459588479 /nfs/dbraw/zinc/58/84/79/459588479.db2.gz XUQCIIULEJYNGV-HXUWFJFHSA-N 1 2 339.460 3.213 20 30 EGEDLO C#CC[N@H+](Cc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCc2ccccc21 ZINC000490842015 459588482 /nfs/dbraw/zinc/58/84/82/459588482.db2.gz XUQCIIULEJYNGV-HXUWFJFHSA-N 1 2 339.460 3.213 20 30 EGEDLO N#CC1(NC(=O)C[N@@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)CCC1 ZINC000527127723 459595929 /nfs/dbraw/zinc/59/59/29/459595929.db2.gz ZUNMWDUKNABBIP-SFHVURJKSA-N 1 2 336.439 3.257 20 30 EGEDLO N#CC1(NC(=O)C[N@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)CCC1 ZINC000527127723 459595931 /nfs/dbraw/zinc/59/59/31/459595931.db2.gz ZUNMWDUKNABBIP-SFHVURJKSA-N 1 2 336.439 3.257 20 30 EGEDLO C#C[C@@H](NC(=O)/C=C/c1[nH+]ccn1CC)c1ccc(Cl)cc1F ZINC000491097031 459598323 /nfs/dbraw/zinc/59/83/23/459598323.db2.gz YRKLKADTFDKIBZ-MVGZEHJDSA-N 1 2 331.778 3.199 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000573318418 459658330 /nfs/dbraw/zinc/65/83/30/459658330.db2.gz BLDWBVWGMAXNNF-MSOLQXFVSA-N 1 2 337.423 3.416 20 30 EGEDLO CN(C(=O)C[N@@H+]1CC(C)(C)[C@H]1c1cccnc1)C1(C#N)CCCCC1 ZINC000596593774 459689243 /nfs/dbraw/zinc/68/92/43/459689243.db2.gz RRDIRWHQMZPYLM-GOSISDBHSA-N 1 2 340.471 3.149 20 30 EGEDLO CN(C(=O)C[N@H+]1CC(C)(C)[C@H]1c1cccnc1)C1(C#N)CCCCC1 ZINC000596593774 459689247 /nfs/dbraw/zinc/68/92/47/459689247.db2.gz RRDIRWHQMZPYLM-GOSISDBHSA-N 1 2 340.471 3.149 20 30 EGEDLO CC1(C)CCCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)[C@@H]1C#N ZINC000573943540 459761264 /nfs/dbraw/zinc/76/12/64/459761264.db2.gz HKULMDRCGAQMEL-DLBZAZTESA-N 1 2 336.439 3.472 20 30 EGEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(-c2ccc(F)c(F)c2)c1 ZINC000566128285 459811282 /nfs/dbraw/zinc/81/12/82/459811282.db2.gz RIWNFXBFZFXILH-KRWDZBQOSA-N 1 2 345.393 3.250 20 30 EGEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(-c2ccc(F)c(F)c2)c1 ZINC000566128285 459811284 /nfs/dbraw/zinc/81/12/84/459811284.db2.gz RIWNFXBFZFXILH-KRWDZBQOSA-N 1 2 345.393 3.250 20 30 EGEDLO COCc1ccc(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1C#N ZINC000529209783 459825538 /nfs/dbraw/zinc/82/55/38/459825538.db2.gz JFBYBNDZWWWNOA-INIZCTEOSA-N 1 2 339.399 3.187 20 30 EGEDLO CCC(C#N)(CC)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000529425585 459828732 /nfs/dbraw/zinc/82/87/32/459828732.db2.gz KJBWVXAMJJJYJR-UHFFFAOYSA-N 1 2 330.819 3.472 20 30 EGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)CC1(C#N)CCCCC1 ZINC000597114599 459840329 /nfs/dbraw/zinc/84/03/29/459840329.db2.gz ZSYXVQCMSLBDLX-UHFFFAOYSA-N 1 2 342.365 3.268 20 30 EGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000597178235 459863700 /nfs/dbraw/zinc/86/37/00/459863700.db2.gz BRITZCLALNWTKP-UONOGXRCSA-N 1 2 340.452 3.336 20 30 EGEDLO CC[C@@H](C#N)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000593410354 459881958 /nfs/dbraw/zinc/88/19/58/459881958.db2.gz QSBUWHDEKFXEAJ-WFASDCNBSA-N 1 2 337.826 3.282 20 30 EGEDLO C[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1[nH+]ccn1C ZINC000598465380 459904038 /nfs/dbraw/zinc/90/40/38/459904038.db2.gz QYRFCZRMOWJFQA-CQSZACIVSA-N 1 2 335.411 3.170 20 30 EGEDLO C[C@@H](c1cccc(NC(=O)CCCCCC#N)c1)[NH+]1CCOCC1 ZINC000588156933 459921048 /nfs/dbraw/zinc/92/10/48/459921048.db2.gz PBHAHUZQUQUUMJ-INIZCTEOSA-N 1 2 329.444 3.492 20 30 EGEDLO C=CCC1(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CCOCC1 ZINC000618250433 459940121 /nfs/dbraw/zinc/94/01/21/459940121.db2.gz AQFIUTYEQBLVBP-KRWDZBQOSA-N 1 2 339.439 3.173 20 30 EGEDLO COc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)c(Br)cn1 ZINC000598587734 459954072 /nfs/dbraw/zinc/95/40/72/459954072.db2.gz UTGPMHUKTNYETL-UHFFFAOYSA-N 1 2 346.228 3.356 20 30 EGEDLO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)c(Br)cn1 ZINC000598587734 459954075 /nfs/dbraw/zinc/95/40/75/459954075.db2.gz UTGPMHUKTNYETL-UHFFFAOYSA-N 1 2 346.228 3.356 20 30 EGEDLO N#C[C@@H](NC(=O)CCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000609460290 459965236 /nfs/dbraw/zinc/96/52/36/459965236.db2.gz PPNFIFVBHBUAGO-CQSZACIVSA-N 1 2 336.317 3.063 20 30 EGEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000609822784 460024068 /nfs/dbraw/zinc/02/40/68/460024068.db2.gz BNPWZABXLURYOZ-AWEZNQCLSA-N 1 2 347.422 3.179 20 30 EGEDLO Cc1cccc2[nH+]c(CCNC(=O)[C@@H](C)Cc3ccc(C#N)cc3)cn21 ZINC000594065470 460083471 /nfs/dbraw/zinc/08/34/71/460083471.db2.gz PSDOHDXYUYQQQI-HNNXBMFYSA-N 1 2 346.434 3.052 20 30 EGEDLO N#CCCCC(=O)Nc1nc2c(s1)CC[N@H+](Cc1ccccc1)C2 ZINC000589691639 460128846 /nfs/dbraw/zinc/12/88/46/460128846.db2.gz QKNPLWNOWVKCRB-UHFFFAOYSA-N 1 2 340.452 3.334 20 30 EGEDLO N#CCCCC(=O)Nc1nc2c(s1)CC[N@@H+](Cc1ccccc1)C2 ZINC000589691639 460128847 /nfs/dbraw/zinc/12/88/47/460128847.db2.gz QKNPLWNOWVKCRB-UHFFFAOYSA-N 1 2 340.452 3.334 20 30 EGEDLO Cc1ncc([C@@H](C)[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c(C)n1 ZINC000614461706 460148073 /nfs/dbraw/zinc/14/80/73/460148073.db2.gz HHQGGGKEVMYXIW-UZLBHIALSA-N 1 2 335.455 3.037 20 30 EGEDLO C[C@@H](c1nnc(-c2ccc3ccccc3c2)o1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000602850362 460157796 /nfs/dbraw/zinc/15/77/96/460157796.db2.gz GBCANBDQBINJTH-VBKZILBWSA-N 1 2 348.406 3.301 20 30 EGEDLO C[C@@H](c1nnc(-c2ccc3ccccc3c2)o1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000602850362 460157805 /nfs/dbraw/zinc/15/78/05/460157805.db2.gz GBCANBDQBINJTH-VBKZILBWSA-N 1 2 348.406 3.301 20 30 EGEDLO CCc1ccc([C@H](NC(=O)C[NH2+][C@H](C)CC#N)c2cccs2)cc1 ZINC000602866967 460165668 /nfs/dbraw/zinc/16/56/68/460165668.db2.gz AREUNLYIFGAGMV-KUHUBIRLSA-N 1 2 341.480 3.408 20 30 EGEDLO Cc1ncc([C@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)s1 ZINC000602953655 460199765 /nfs/dbraw/zinc/19/97/65/460199765.db2.gz ANGWQPPRKVYESS-JTQLQIEISA-N 1 2 325.397 3.224 20 30 EGEDLO C=CCC(CC=C)C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614673779 460200063 /nfs/dbraw/zinc/20/00/63/460200063.db2.gz LEHAJDRYQPXOFA-UHFFFAOYSA-N 1 2 333.501 3.376 20 30 EGEDLO N#Cc1c(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)cn2ccccc12 ZINC000610844778 460247004 /nfs/dbraw/zinc/24/70/04/460247004.db2.gz XMCCQGGHOBTZHI-UHFFFAOYSA-N 1 2 327.391 3.287 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c(C#N)c1C ZINC000610967441 460267806 /nfs/dbraw/zinc/26/78/06/460267806.db2.gz YQLDMNQWOBJZFL-QGZVFWFLSA-N 1 2 339.395 3.249 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)c(C#N)c1C ZINC000610967441 460267812 /nfs/dbraw/zinc/26/78/12/460267812.db2.gz YQLDMNQWOBJZFL-QGZVFWFLSA-N 1 2 339.395 3.249 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCS[C@@H](C)[C@H]2C)c1C#N ZINC000611348537 460342048 /nfs/dbraw/zinc/34/20/48/460342048.db2.gz ZYGUTTHIIZTWEG-CABCVRRESA-N 1 2 326.469 3.378 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCS[C@@H](C)[C@H]2C)c1C#N ZINC000611348537 460342049 /nfs/dbraw/zinc/34/20/49/460342049.db2.gz ZYGUTTHIIZTWEG-CABCVRRESA-N 1 2 326.469 3.378 20 30 EGEDLO C=CCC[C@H](C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000615535445 460343678 /nfs/dbraw/zinc/34/36/78/460343678.db2.gz BRQMSKWRSDNFAZ-UXHICEINSA-N 1 2 342.483 3.060 20 30 EGEDLO Cc1cc(NC(=O)N2CC[C@@](F)(C#N)C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000615543043 460345228 /nfs/dbraw/zinc/34/52/28/460345228.db2.gz OSPBDDRUZOFXDR-KBXCAEBGSA-N 1 2 345.422 3.238 20 30 EGEDLO CC(C)(C)c1nc(NCc2nc(-c3cccc(C#N)c3)c[nH]2)cc[nH+]1 ZINC000611372788 460347215 /nfs/dbraw/zinc/34/72/15/460347215.db2.gz OITXPPUSFISGFI-UHFFFAOYSA-N 1 2 332.411 3.070 20 30 EGEDLO COC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)c1C#N ZINC000611376437 460348306 /nfs/dbraw/zinc/34/83/06/460348306.db2.gz YUJUCYCVVDVUFT-NSHDSACASA-N 1 2 330.334 3.474 20 30 EGEDLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cccc(C#N)c1 ZINC000611386150 460350308 /nfs/dbraw/zinc/35/03/08/460350308.db2.gz FDZDEVAHMHBOOS-CYBMUJFWSA-N 1 2 329.363 3.331 20 30 EGEDLO Cc1cccn2cc(CCNC(=O)c3ccc(C(C)(C)C#N)cc3)[nH+]c12 ZINC000619438499 460356198 /nfs/dbraw/zinc/35/61/98/460356198.db2.gz YLXJNLDIHXOTDP-UHFFFAOYSA-N 1 2 346.434 3.416 20 30 EGEDLO CCc1nc(C#N)cc(N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)n1 ZINC000601186803 460743351 /nfs/dbraw/zinc/74/33/51/460743351.db2.gz BFVDEXCEGFJEQY-UHFFFAOYSA-N 1 2 346.438 3.246 20 30 EGEDLO O=C(NCCn1cc[nH+]c1)Nc1cccc(C#Cc2cccs2)c1 ZINC000642480302 461516589 /nfs/dbraw/zinc/51/65/89/461516589.db2.gz JUGKEDHZOBZSHQ-UHFFFAOYSA-N 1 2 336.420 3.166 20 30 EGEDLO C=CC[C@@H]1CCCN(C(=O)NCCn2c(C)[nH+]c3ccccc32)C1 ZINC000660245042 461662051 /nfs/dbraw/zinc/66/20/51/461662051.db2.gz LXWJGUVRYURMMP-MRXNPFEDSA-N 1 2 326.444 3.342 20 30 EGEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2OC)nn1 ZINC000653480369 461664700 /nfs/dbraw/zinc/66/47/00/461664700.db2.gz BIWDCSJVKBSPIN-GOSISDBHSA-N 1 2 342.443 3.209 20 30 EGEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2OC)nn1 ZINC000653480369 461664708 /nfs/dbraw/zinc/66/47/08/461664708.db2.gz BIWDCSJVKBSPIN-GOSISDBHSA-N 1 2 342.443 3.209 20 30 EGEDLO C=CCCn1cc(C[NH+]2CCC(Nc3cccc(C)c3)CC2)nn1 ZINC000653582037 461738276 /nfs/dbraw/zinc/73/82/76/461738276.db2.gz UJZFRPHLDWAILP-UHFFFAOYSA-N 1 2 325.460 3.239 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000660538447 461839929 /nfs/dbraw/zinc/83/99/29/461839929.db2.gz HDYWFYOJCCYNSG-GBESFXJTSA-N 1 2 344.503 3.289 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000660538447 461839936 /nfs/dbraw/zinc/83/99/36/461839936.db2.gz HDYWFYOJCCYNSG-GBESFXJTSA-N 1 2 344.503 3.289 20 30 EGEDLO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)c2ccccc2F)CC1 ZINC000639452245 461931573 /nfs/dbraw/zinc/93/15/73/461931573.db2.gz ZPVGZXPIWWTQJT-UHFFFAOYSA-N 1 2 337.398 3.092 20 30 EGEDLO N#Cc1ccccc1N1CCC[N@H+](CC(=O)c2ccccc2F)CC1 ZINC000639452245 461931581 /nfs/dbraw/zinc/93/15/81/461931581.db2.gz ZPVGZXPIWWTQJT-UHFFFAOYSA-N 1 2 337.398 3.092 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000268199703 534562080 /nfs/dbraw/zinc/56/20/80/534562080.db2.gz YPPBTMTXYVFKHK-UHFFFAOYSA-N 1 2 342.487 3.325 20 30 EGEDLO Cc1ccc(C#N)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000063960822 546562177 /nfs/dbraw/zinc/56/21/77/546562177.db2.gz BUBVCIDJOKRAAG-UHFFFAOYSA-N 1 2 347.334 3.213 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)N1CCC[C@H](C2CC2)C1 ZINC000329329434 547494962 /nfs/dbraw/zinc/49/49/62/547494962.db2.gz KZMMIZLRLXMJFI-INIZCTEOSA-N 1 2 326.444 3.381 20 30 EGEDLO Fc1cc(F)c(C[NH2+]Cc2cnn(CC(F)(F)F)c2)c(F)c1F ZINC000430039876 547893065 /nfs/dbraw/zinc/89/30/65/547893065.db2.gz NHFMAFZYOQRVBI-UHFFFAOYSA-N 1 2 341.230 3.292 20 30 EGEDLO CC(=[NH+]Nc1cnc2ccccc2n1)c1ccc(N2CCOCC2)cc1 ZINC000727258457 574656517 /nfs/dbraw/zinc/65/65/17/574656517.db2.gz KKYOTQVFUIOICY-UHFFFAOYSA-N 1 2 347.422 3.303 20 30 EGEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CSc1ccc(C#N)cc1 ZINC000728611488 574761830 /nfs/dbraw/zinc/76/18/30/574761830.db2.gz JBYPIAOVHCSSBO-MRXNPFEDSA-N 1 2 342.468 3.078 20 30 EGEDLO Cc1cccn2cc(COC(=O)CSc3ccc(C#N)cc3)[nH+]c12 ZINC000728676085 574766402 /nfs/dbraw/zinc/76/64/02/574766402.db2.gz FDIHZPQGQVJOPC-UHFFFAOYSA-N 1 2 337.404 3.350 20 30 EGEDLO COc1cccc(O)c1/C=N/C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000734303478 575463782 /nfs/dbraw/zinc/46/37/82/575463782.db2.gz QYKWRQPRQGCTOV-LKKXKRCMSA-N 1 2 334.366 3.401 20 30 EGEDLO C=CC[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccncc1 ZINC000734459214 575494674 /nfs/dbraw/zinc/49/46/74/575494674.db2.gz JZGMVOIGCJDUQF-IBGZPJMESA-N 1 2 332.407 3.374 20 30 EGEDLO C=CCn1c(C2CC2)nn(C[N@@H+](C)C2CCC(OC)CC2)c1=S ZINC000734475088 575497238 /nfs/dbraw/zinc/49/72/38/575497238.db2.gz IZYVWHXFZFJXDN-UHFFFAOYSA-N 1 2 336.505 3.324 20 30 EGEDLO C=CCn1c(C2CC2)nn(C[N@H+](C)C2CCC(OC)CC2)c1=S ZINC000734475088 575497240 /nfs/dbraw/zinc/49/72/40/575497240.db2.gz IZYVWHXFZFJXDN-UHFFFAOYSA-N 1 2 336.505 3.324 20 30 EGEDLO C=CC[C@@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccncc1 ZINC000734683841 575536936 /nfs/dbraw/zinc/53/69/36/575536936.db2.gz QUHXMYZREAWOKX-JKSUJKDBSA-N 1 2 325.416 3.011 20 30 EGEDLO CON=Cc1ccc(C(=O)OCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000736730374 576015839 /nfs/dbraw/zinc/01/58/39/576015839.db2.gz NHEJAGPPKPWYLM-UHFFFAOYSA-N 1 2 328.368 3.044 20 30 EGEDLO CC(C)C[N@H+](CCC#N)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000739915222 576518690 /nfs/dbraw/zinc/51/86/90/576518690.db2.gz WXPBIRKZOVZILS-MRXNPFEDSA-N 1 2 347.422 3.095 20 30 EGEDLO CC(C)C[N@@H+](CCC#N)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000739915222 576518694 /nfs/dbraw/zinc/51/86/94/576518694.db2.gz WXPBIRKZOVZILS-MRXNPFEDSA-N 1 2 347.422 3.095 20 30 EGEDLO CCCCCCC[N@@H+]1CCNC(=O)[C@@H]1c1c(C)nc2ccccn21 ZINC000740877185 576632871 /nfs/dbraw/zinc/63/28/71/576632871.db2.gz FLPLGKRTTFNGET-SFHVURJKSA-N 1 2 328.460 3.086 20 30 EGEDLO CCCCCCC[N@H+]1CCNC(=O)[C@@H]1c1c(C)nc2ccccn21 ZINC000740877185 576632873 /nfs/dbraw/zinc/63/28/73/576632873.db2.gz FLPLGKRTTFNGET-SFHVURJKSA-N 1 2 328.460 3.086 20 30 EGEDLO Oc1cccc(/C=[NH+]\CCc2ccn(-c3ccc(F)cc3)n2)c1O ZINC000743043366 576800603 /nfs/dbraw/zinc/80/06/03/576800603.db2.gz VOXIKNBXPVAFQN-NDENLUEZSA-N 1 2 325.343 3.084 20 30 EGEDLO C#CC[N@@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)Cc1ccc(F)cc1 ZINC000744211274 576823167 /nfs/dbraw/zinc/82/31/67/576823167.db2.gz IZCDANPLNKGXKQ-TXPKVOOTSA-N 1 2 330.447 3.202 20 30 EGEDLO C#CC[N@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)Cc1ccc(F)cc1 ZINC000744211274 576823168 /nfs/dbraw/zinc/82/31/68/576823168.db2.gz IZCDANPLNKGXKQ-TXPKVOOTSA-N 1 2 330.447 3.202 20 30 EGEDLO CCCCCCCCCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000745343467 576846212 /nfs/dbraw/zinc/84/62/12/576846212.db2.gz VJIZTRAYDVHMGC-GOSISDBHSA-N 1 2 339.524 3.243 20 30 EGEDLO CCO[C@@H](C)c1nc(CO[NH+]=C(N)c2ccc(OC)cc2)cs1 ZINC000076696046 1292437871 /nfs/dbraw/zinc/43/78/71/1292437871.db2.gz LNNFIWYEHHEHKO-NSHDSACASA-N 1 2 335.429 3.086 20 30 EGEDLO COc1ccc(CC(N)=[NH+]OCc2ncc(-c3ccccc3)o2)cc1 ZINC000089126258 1292757184 /nfs/dbraw/zinc/75/71/84/1292757184.db2.gz ZSWMXFHOTKCOMS-UHFFFAOYSA-N 1 2 337.379 3.382 20 30 EGEDLO C[C@H](C#N)Oc1ccc(C[NH+]2CCN([C@H](C)C(F)(F)F)CC2)cc1 ZINC000093882919 1292934428 /nfs/dbraw/zinc/93/44/28/1292934428.db2.gz SFLXAWVDOWSDEN-ZIAGYGMSSA-N 1 2 341.377 3.046 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+]2CC[C@@H](CC)C2)c1=S ZINC000119592133 1293279263 /nfs/dbraw/zinc/27/92/63/1293279263.db2.gz CQODLUQPYWDLQI-CQSZACIVSA-N 1 2 329.473 3.351 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+]2CC[C@@H](CC)C2)c1=S ZINC000119592133 1293279272 /nfs/dbraw/zinc/27/92/72/1293279272.db2.gz CQODLUQPYWDLQI-CQSZACIVSA-N 1 2 329.473 3.351 20 30 EGEDLO Cc1cc(-c2noc(CO[NH+]=C(N)Cc3ccccc3)n2)ccc1F ZINC000153281851 1294007308 /nfs/dbraw/zinc/00/73/08/1294007308.db2.gz HEJYHTOWPBKPTI-UHFFFAOYSA-N 1 2 340.358 3.216 20 30 EGEDLO Cc1ccc(C#N)c(NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)n1 ZINC000161581761 1294295253 /nfs/dbraw/zinc/29/52/53/1294295253.db2.gz KCTASMWDKBQHJA-UHFFFAOYSA-N 1 2 335.455 3.409 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](C)CCC2CC2)c1=S ZINC000162897564 1294324862 /nfs/dbraw/zinc/32/48/62/1294324862.db2.gz WSOVRYYZOPFROZ-UHFFFAOYSA-N 1 2 329.473 3.351 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](C)CCC2CC2)c1=S ZINC000162897564 1294324868 /nfs/dbraw/zinc/32/48/68/1294324868.db2.gz WSOVRYYZOPFROZ-UHFFFAOYSA-N 1 2 329.473 3.351 20 30 EGEDLO Cc1cccc2c1CC[N@@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000177050106 1294649276 /nfs/dbraw/zinc/64/92/76/1294649276.db2.gz ANIRQEBNHOBSCC-QGZVFWFLSA-N 1 2 337.448 3.092 20 30 EGEDLO Cc1cccc2c1CC[N@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000177050106 1294649282 /nfs/dbraw/zinc/64/92/82/1294649282.db2.gz ANIRQEBNHOBSCC-QGZVFWFLSA-N 1 2 337.448 3.092 20 30 EGEDLO NC(Cc1cccnc1)=[NH+]OCCOc1ccc(C(F)(F)F)cc1 ZINC000179926619 1294840523 /nfs/dbraw/zinc/84/05/23/1294840523.db2.gz ALDZXRDVFOKNLH-UHFFFAOYSA-N 1 2 339.317 3.011 20 30 EGEDLO COc1ccc(C(N)=[NH+]OCc2ccc(C(F)F)cc2)cc1OC ZINC000185785035 1295286552 /nfs/dbraw/zinc/28/65/52/1295286552.db2.gz UOTTXYAUXVCOLB-UHFFFAOYSA-N 1 2 336.338 3.479 20 30 EGEDLO O=[N+]([O-])c1ccc(O)c(/C=N/C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000195162878 1296042564 /nfs/dbraw/zinc/04/25/64/1296042564.db2.gz QEVSCAVZZZBEQK-DDLUMYACSA-N 1 2 339.395 3.241 20 30 EGEDLO O=[N+]([O-])c1ccc(O)c(/C=N/C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000195162878 1296042568 /nfs/dbraw/zinc/04/25/68/1296042568.db2.gz QEVSCAVZZZBEQK-DDLUMYACSA-N 1 2 339.395 3.241 20 30 EGEDLO COc1ccc(O)c(/C=[NH+]/C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000750949986 1299485257 /nfs/dbraw/zinc/48/52/57/1299485257.db2.gz LVMUHPAKWOLVNN-MQMKENTISA-N 1 2 348.443 3.467 20 30 EGEDLO COc1ccc(C(N)=[NH+]OCc2ccc(C#N)cc2OC(F)F)cc1 ZINC000753116931 1299877627 /nfs/dbraw/zinc/87/76/27/1299877627.db2.gz DRAQZHUGLLRGQO-UHFFFAOYSA-N 1 2 347.321 3.005 20 30 EGEDLO C[C@H]1CC(=NN2C(=O)c3cccc4cccc(c43)C2=O)C[N@@H+]1C1CC1 ZINC000753954715 1300052379 /nfs/dbraw/zinc/05/23/79/1300052379.db2.gz GGATVNMOXAZJER-LBPRGKRZSA-N 1 2 333.391 3.048 20 30 EGEDLO C[C@H]1CC(=NN2C(=O)c3cccc4cccc(c43)C2=O)C[N@H+]1C1CC1 ZINC000753954715 1300052392 /nfs/dbraw/zinc/05/23/92/1300052392.db2.gz GGATVNMOXAZJER-LBPRGKRZSA-N 1 2 333.391 3.048 20 30 EGEDLO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)SC(C)(C)C1=O ZINC000753993456 1300060086 /nfs/dbraw/zinc/06/00/86/1300060086.db2.gz JERYGZLEBDTJLH-UHFFFAOYSA-N 1 2 345.468 3.448 20 30 EGEDLO CC(C)C[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)SC(C)(C)C1=O ZINC000753993456 1300060098 /nfs/dbraw/zinc/06/00/98/1300060098.db2.gz JERYGZLEBDTJLH-UHFFFAOYSA-N 1 2 345.468 3.448 20 30 EGEDLO COc1ccc(N=NCc2c[nH+]c3ccc(C)cn23)c([N+](=O)[O-])c1 ZINC000755804194 1300400551 /nfs/dbraw/zinc/40/05/51/1300400551.db2.gz YERWEDSJFVFGDP-UHFFFAOYSA-N 1 2 325.328 3.006 20 30 EGEDLO Cc1ccn(C[NH+]2CCC(Cc3ccccc3F)CC2)c(=O)c1C#N ZINC000758226642 1300822096 /nfs/dbraw/zinc/82/20/96/1300822096.db2.gz SAQQZQVIKMFIPT-UHFFFAOYSA-N 1 2 339.414 3.080 20 30 EGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCC(F)CC2)c1C#N ZINC000880240623 1300998886 /nfs/dbraw/zinc/99/88/86/1300998886.db2.gz GPXZMRQSIOFEPN-UHFFFAOYSA-N 1 2 346.450 3.464 20 30 EGEDLO C[C@@H]1CCN(C(=O)c2ccccc2SCC#N)C[C@H]1n1cc[nH+]c1 ZINC000759485175 1301101029 /nfs/dbraw/zinc/10/10/29/1301101029.db2.gz YUPRQBRLYYVKJL-GDBMZVCRSA-N 1 2 340.452 3.222 20 30 EGEDLO N#CC1(CS(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC000763215298 1301847598 /nfs/dbraw/zinc/84/75/98/1301847598.db2.gz XBSZNGQHTDKQSF-UHFFFAOYSA-N 1 2 345.424 3.055 20 30 EGEDLO N#Cc1ccc([C@@H](O)C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000763409968 1301897823 /nfs/dbraw/zinc/89/78/23/1301897823.db2.gz IJLVMCZDTUFAAO-FQEVSTJZSA-N 1 2 332.407 3.017 20 30 EGEDLO N#Cc1ccc([C@@H](O)C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000763409968 1301897827 /nfs/dbraw/zinc/89/78/27/1301897827.db2.gz IJLVMCZDTUFAAO-FQEVSTJZSA-N 1 2 332.407 3.017 20 30 EGEDLO C=CCn1c(COc2ccccc2)nn(C[N@H+]2CC[C@@H](C)C2)c1=S ZINC000764963488 1302178447 /nfs/dbraw/zinc/17/84/47/1302178447.db2.gz OGPZXEBOGYYBNY-OAHLLOKOSA-N 1 2 344.484 3.478 20 30 EGEDLO C=CCn1c(COc2ccccc2)nn(C[N@@H+]2CC[C@@H](C)C2)c1=S ZINC000764963488 1302178457 /nfs/dbraw/zinc/17/84/57/1302178457.db2.gz OGPZXEBOGYYBNY-OAHLLOKOSA-N 1 2 344.484 3.478 20 30 EGEDLO C(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1ccc(Sc2ccccn2)o1 ZINC000766452250 1302455959 /nfs/dbraw/zinc/45/59/59/1302455959.db2.gz DNGZXCZWPNNZOR-KBPBESRZSA-N 1 2 341.440 3.020 20 30 EGEDLO C#C[C@H](C)[N@@H+](C)Cn1cc(Br)c(-c2ccc(F)cc2)n1 ZINC000766665443 1302498192 /nfs/dbraw/zinc/49/81/92/1302498192.db2.gz GJUZIOAXCBEIGL-NSHDSACASA-N 1 2 336.208 3.363 20 30 EGEDLO C#C[C@H](C)[N@H+](C)Cn1cc(Br)c(-c2ccc(F)cc2)n1 ZINC000766665443 1302498189 /nfs/dbraw/zinc/49/81/89/1302498189.db2.gz GJUZIOAXCBEIGL-NSHDSACASA-N 1 2 336.208 3.363 20 30 EGEDLO C#C[C@H]([NH2+][C@@H](C)c1nnn(-c2ccc(Cl)cc2)c1C)[C@@H]1CCCO1 ZINC000775572280 1303987347 /nfs/dbraw/zinc/98/73/47/1303987347.db2.gz QMLAWUUJVLJMGB-ZLIFDBKOSA-N 1 2 344.846 3.061 20 30 EGEDLO C[C@H]1CCN(C(=O)Nc2cc(C#N)ccc2F)C[C@H]1n1cc[nH+]c1 ZINC000888360781 1304131027 /nfs/dbraw/zinc/13/10/27/1304131027.db2.gz PYLXQUUWVSQXPC-BLLLJJGKSA-N 1 2 327.363 3.009 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC000779422503 1304570121 /nfs/dbraw/zinc/57/01/21/1304570121.db2.gz ORDKDMYYWZSGRZ-SQGUUQMOSA-N 1 2 327.428 3.048 20 30 EGEDLO N#CCC1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000781928238 1304893169 /nfs/dbraw/zinc/89/31/69/1304893169.db2.gz VQCJLRSHJJXNAG-UHFFFAOYSA-N 1 2 338.205 3.483 20 30 EGEDLO N#CCc1ccc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000784163095 1305199683 /nfs/dbraw/zinc/19/96/83/1305199683.db2.gz ZSXNYUITOWJBDG-QZTJIDSGSA-N 1 2 342.464 3.139 20 30 EGEDLO N#CCc1ccc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000784163095 1305199687 /nfs/dbraw/zinc/19/96/87/1305199687.db2.gz ZSXNYUITOWJBDG-QZTJIDSGSA-N 1 2 342.464 3.139 20 30 EGEDLO CCN(CC)c1ncc(C=[NH+]Nc2ccc3c(cc[nH]c3=O)c2)s1 ZINC000789076389 1306084858 /nfs/dbraw/zinc/08/48/58/1306084858.db2.gz JCJFIRNXCGJTRX-UHFFFAOYSA-N 1 2 341.440 3.277 20 30 EGEDLO CC(C)N(C)c1ccc(C=[NH+]NC(=S)NC2CCCCC2)cn1 ZINC000790143443 1306268313 /nfs/dbraw/zinc/26/83/13/1306268313.db2.gz JSXUHNRFMYZRFV-UHFFFAOYSA-N 1 2 333.505 3.057 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=S)Nc3ccsc3)CC2)cc1 ZINC000790304326 1306295757 /nfs/dbraw/zinc/29/57/57/1306295757.db2.gz VZNZPRYBJZPFRZ-UHFFFAOYSA-N 1 2 342.493 3.134 20 30 EGEDLO C[C@H]1C[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)Cc2ccccc21 ZINC000793481998 1309383172 /nfs/dbraw/zinc/38/31/72/1309383172.db2.gz DWKHXMJKBYKOJX-HNNXBMFYSA-N 1 2 333.435 3.176 20 30 EGEDLO C[C@H]1C[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)Cc2ccccc21 ZINC000793481998 1309383184 /nfs/dbraw/zinc/38/31/84/1309383184.db2.gz DWKHXMJKBYKOJX-HNNXBMFYSA-N 1 2 333.435 3.176 20 30 EGEDLO N#Cc1cccn(C[N@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)c1=O ZINC000793781128 1309440863 /nfs/dbraw/zinc/44/08/63/1309440863.db2.gz OPBPXDXFLXDCAO-MRXNPFEDSA-N 1 2 345.855 3.197 20 30 EGEDLO N#Cc1cccn(C[N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)c1=O ZINC000793781128 1309440867 /nfs/dbraw/zinc/44/08/67/1309440867.db2.gz OPBPXDXFLXDCAO-MRXNPFEDSA-N 1 2 345.855 3.197 20 30 EGEDLO C#C[C@H](NC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1)c1ccc(Cl)cc1 ZINC000794071031 1309467468 /nfs/dbraw/zinc/46/74/68/1309467468.db2.gz QOVCMDJWUQAUOZ-OKZBNKHCSA-N 1 2 348.874 3.020 20 30 EGEDLO C#C[C@H](NC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1)c1ccc(Cl)cc1 ZINC000794071031 1309467470 /nfs/dbraw/zinc/46/74/70/1309467470.db2.gz QOVCMDJWUQAUOZ-OKZBNKHCSA-N 1 2 348.874 3.020 20 30 EGEDLO C[C@H](C#N)OCC[N@@H+]1C[C@@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000795069966 1309662233 /nfs/dbraw/zinc/66/22/33/1309662233.db2.gz UAJRNDLNKBTTLJ-XJKCOSOUSA-N 1 2 342.361 3.396 20 30 EGEDLO C[C@H](C#N)OCC[N@H+]1C[C@@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000795069966 1309662238 /nfs/dbraw/zinc/66/22/38/1309662238.db2.gz UAJRNDLNKBTTLJ-XJKCOSOUSA-N 1 2 342.361 3.396 20 30 EGEDLO NC(=[NH+]OCC[C@@H](O)c1ccccc1)c1ccc(Br)cc1 ZINC000795216104 1309698973 /nfs/dbraw/zinc/69/89/73/1309698973.db2.gz FSINAKZANWETAM-OAHLLOKOSA-N 1 2 349.228 3.210 20 30 EGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)OCCc1c[nH+]cn1C ZINC000797117837 1310144642 /nfs/dbraw/zinc/14/46/42/1310144642.db2.gz LHGFYVPSMNDPHN-UHFFFAOYSA-N 1 2 325.393 3.214 20 30 EGEDLO Cc1ccc(C)c(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 ZINC000798274269 1310332521 /nfs/dbraw/zinc/33/25/21/1310332521.db2.gz BQXXVBQCSRNFSR-IAGOWNOFSA-N 1 2 329.444 3.152 20 30 EGEDLO Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1C#N ZINC000799313340 1310522854 /nfs/dbraw/zinc/52/28/54/1310522854.db2.gz WJHSAWYBSQNMMI-UHFFFAOYSA-N 1 2 334.423 3.182 20 30 EGEDLO CCc1cccc(C)c1N[NH+]=Cc1cnc(N2CCOCC2)s1 ZINC000799493943 1310562134 /nfs/dbraw/zinc/56/21/34/1310562134.db2.gz WMEGETQIZLVLQL-UHFFFAOYSA-N 1 2 330.457 3.297 20 30 EGEDLO CC(=[NH+]NC(=S)NCCc1cccs1)c1ccc(N(C)C)cc1 ZINC000839413193 1320915502 /nfs/dbraw/zinc/91/55/02/1320915502.db2.gz IWEUGTZHPSMUCE-UHFFFAOYSA-N 1 2 346.525 3.245 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cccc(N3CCCC3)c2)C1 ZINC000956995391 1317125045 /nfs/dbraw/zinc/12/50/45/1317125045.db2.gz ZEMCZJQBFRHUDB-UHFFFAOYSA-N 1 2 327.472 3.009 20 30 EGEDLO N#Cc1sc(Nc2cccc(C[NH+]3CCOCC3)c2)nc1Cl ZINC000804388793 1317227843 /nfs/dbraw/zinc/22/78/43/1317227843.db2.gz CGLGFAOOKSREAZ-UHFFFAOYSA-N 1 2 334.832 3.244 20 30 EGEDLO COc1c(C)c[nH+]c(CNC(=O)/C=C/C(=O)c2ccc(C)cc2)c1C ZINC000900447670 1317290824 /nfs/dbraw/zinc/29/08/24/1317290824.db2.gz YUWBLPSBYVLORY-MDZDMXLPSA-N 1 2 338.407 3.071 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(N(C)CCC)cc2)C1 ZINC000957461585 1317379932 /nfs/dbraw/zinc/37/99/32/1317379932.db2.gz ZRKQRBZZKKQVLI-UHFFFAOYSA-N 1 2 329.488 3.255 20 30 EGEDLO CCOC(=O)c1[nH]c2c(c1C)C(=O)/C(=C/c1[nH]c(C)c(C)[nH+]1)CC2 ZINC000901437766 1317426673 /nfs/dbraw/zinc/42/66/73/1317426673.db2.gz DAKAEKNWRPCVLZ-XYOKQWHBSA-N 1 2 327.384 3.052 20 30 EGEDLO Cc1[nH]c(/C=C/C(=O)c2ccc(NC(=O)NC(C)C)cc2)[nH+]c1C ZINC000901457433 1317429550 /nfs/dbraw/zinc/42/95/50/1317429550.db2.gz LFFHWMXOSXEVEV-MDZDMXLPSA-N 1 2 326.400 3.453 20 30 EGEDLO CCOC(=O)CCOc1ccc(C(=O)/C=C/c2c[nH+]cn2CC)cc1 ZINC000901467963 1317432531 /nfs/dbraw/zinc/43/25/31/1317432531.db2.gz KJZPOIIWZXZUJQ-JXMROGBWSA-N 1 2 342.395 3.131 20 30 EGEDLO C#CCC[NH+]1CCN(C(=O)c2sc3cc(F)ccc3c2C)CC1 ZINC000806594581 1317508542 /nfs/dbraw/zinc/50/85/42/1317508542.db2.gz OIAFCDNPHRQCIL-UHFFFAOYSA-N 1 2 330.428 3.130 20 30 EGEDLO C=C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000957743843 1317607521 /nfs/dbraw/zinc/60/75/21/1317607521.db2.gz AKMGQWFKHXVUIG-OAQYLSRUSA-N 1 2 345.446 3.172 20 30 EGEDLO Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1C=[NH+]NCC1CCCC1 ZINC000808005338 1317611832 /nfs/dbraw/zinc/61/18/32/1317611832.db2.gz BPTMSFKRUAMQGM-UHFFFAOYSA-N 1 2 347.422 3.075 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000808176712 1317640293 /nfs/dbraw/zinc/64/02/93/1317640293.db2.gz JOVXDMOCARUDEN-SFHVURJKSA-N 1 2 339.439 3.272 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000808176712 1317640300 /nfs/dbraw/zinc/64/03/00/1317640300.db2.gz JOVXDMOCARUDEN-SFHVURJKSA-N 1 2 339.439 3.272 20 30 EGEDLO C#C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)C(C)(C)C ZINC000808315596 1317659891 /nfs/dbraw/zinc/65/98/91/1317659891.db2.gz JTCFRYYVXGDFCW-HOCLYGCPSA-N 1 2 333.501 3.184 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000903738628 1317728273 /nfs/dbraw/zinc/72/82/73/1317728273.db2.gz QFGQOJSVEYAIIE-WMZOPIPTSA-N 1 2 336.395 3.295 20 30 EGEDLO Clc1nc(N2CCCC2)sc1C=[NH+]NC[C@@H]1CCSC1 ZINC000811657053 1318219907 /nfs/dbraw/zinc/21/99/07/1318219907.db2.gz CSHOXTFUHWNKIG-JTQLQIEISA-N 1 2 330.910 3.073 20 30 EGEDLO C#C[C@@H](NC(=O)CSCc1cn2cc(C)ccc2[nH+]1)C(C)(C)C ZINC000813776954 1318630643 /nfs/dbraw/zinc/63/06/43/1318630643.db2.gz FTEIBFGBDBZWKV-OAHLLOKOSA-N 1 2 329.469 3.040 20 30 EGEDLO C#C[C@H](NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2)C(C)(C)C ZINC000813776975 1318630759 /nfs/dbraw/zinc/63/07/59/1318630759.db2.gz FVOCOODPCDMZRN-IBGZPJMESA-N 1 2 349.478 3.391 20 30 EGEDLO C#C[C@H](NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2)C(C)(C)C ZINC000813776975 1318630764 /nfs/dbraw/zinc/63/07/64/1318630764.db2.gz FVOCOODPCDMZRN-IBGZPJMESA-N 1 2 349.478 3.391 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)C1=CCCC1 ZINC000960573039 1318706307 /nfs/dbraw/zinc/70/63/07/1318706307.db2.gz PUQRFNYGSIGAFH-IBGZPJMESA-N 1 2 341.430 3.230 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)C1=CCCC1 ZINC000960573039 1318706310 /nfs/dbraw/zinc/70/63/10/1318706310.db2.gz PUQRFNYGSIGAFH-IBGZPJMESA-N 1 2 341.430 3.230 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nc2c(o1)CCCC2 ZINC000960790842 1318896151 /nfs/dbraw/zinc/89/61/51/1318896151.db2.gz NUPAYUXICFBMKL-OAHLLOKOSA-N 1 2 345.487 3.188 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nc2c(o1)CCCC2 ZINC000960790842 1318896163 /nfs/dbraw/zinc/89/61/63/1318896163.db2.gz NUPAYUXICFBMKL-OAHLLOKOSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)[C@H](C)c2ncccn2)CC1 ZINC000960835438 1318964955 /nfs/dbraw/zinc/96/49/55/1318964955.db2.gz ZFFFPGSJLMHPGA-AEFFLSMTSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)[C@H](C)c2ncccn2)CC1 ZINC000960835438 1318964964 /nfs/dbraw/zinc/96/49/64/1318964964.db2.gz ZFFFPGSJLMHPGA-AEFFLSMTSA-N 1 2 342.487 3.207 20 30 EGEDLO O=S(=O)(c1ccc(N[NH2+]C=CC(F)(F)F)cc1)C(F)(F)F ZINC000817323583 1319326132 /nfs/dbraw/zinc/32/61/32/1319326132.db2.gz QPSJNJWJPDUSJS-UHFFFAOYSA-N 1 2 334.241 3.330 20 30 EGEDLO C[C@@H]1CCCC[C@@H]1N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000914596189 1319353326 /nfs/dbraw/zinc/35/33/26/1319353326.db2.gz CXLYSDXTQOZKIL-KGLIPLIRSA-N 1 2 338.455 3.225 20 30 EGEDLO COCC[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)CC(C)C ZINC000917100035 1319757580 /nfs/dbraw/zinc/75/75/80/1319757580.db2.gz AGMGTVYQHSDMMK-CQSZACIVSA-N 1 2 345.468 3.077 20 30 EGEDLO COCC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)CC(C)C ZINC000917100035 1319757584 /nfs/dbraw/zinc/75/75/84/1319757584.db2.gz AGMGTVYQHSDMMK-CQSZACIVSA-N 1 2 345.468 3.077 20 30 EGEDLO C#CC[N@@H+](Cn1c2cc(C)ccc2oc1=O)[C@@H]1CCc2ccccc21 ZINC000917615744 1319851993 /nfs/dbraw/zinc/85/19/93/1319851993.db2.gz SAXQFOYUZCETIQ-GOSISDBHSA-N 1 2 332.403 3.483 20 30 EGEDLO C#CC[N@H+](Cn1c2cc(C)ccc2oc1=O)[C@@H]1CCc2ccccc21 ZINC000917615744 1319851997 /nfs/dbraw/zinc/85/19/97/1319851997.db2.gz SAXQFOYUZCETIQ-GOSISDBHSA-N 1 2 332.403 3.483 20 30 EGEDLO C#C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1 ZINC000825668007 1320353630 /nfs/dbraw/zinc/35/36/30/1320353630.db2.gz KEZYBSKFENCUDJ-IBGZPJMESA-N 1 2 348.450 3.246 20 30 EGEDLO N#C[C@H]1CCC[C@H](OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000839057760 1320860494 /nfs/dbraw/zinc/86/04/94/1320860494.db2.gz NJGHGVQCZNTXRM-JSGCOSHPSA-N 1 2 340.339 3.020 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)C2(CCC2)[C@@H]1c1cccnc1 ZINC000839961012 1321003659 /nfs/dbraw/zinc/00/36/59/1321003659.db2.gz UPWINHRGFWWITH-IBGZPJMESA-N 1 2 346.434 3.096 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)C2(CCC2)[C@@H]1c1cccnc1 ZINC000839961012 1321003663 /nfs/dbraw/zinc/00/36/63/1321003663.db2.gz UPWINHRGFWWITH-IBGZPJMESA-N 1 2 346.434 3.096 20 30 EGEDLO N#Cc1cnn2cc(C[N@H+]3CCC[C@@H]3c3ccc(F)c(F)c3)cnc12 ZINC000843395394 1321510963 /nfs/dbraw/zinc/51/09/63/1321510963.db2.gz VYLRCGKXOQDDIS-QGZVFWFLSA-N 1 2 339.349 3.216 20 30 EGEDLO N#Cc1cnn2cc(C[N@@H+]3CCC[C@@H]3c3ccc(F)c(F)c3)cnc12 ZINC000843395394 1321510966 /nfs/dbraw/zinc/51/09/66/1321510966.db2.gz VYLRCGKXOQDDIS-QGZVFWFLSA-N 1 2 339.349 3.216 20 30 EGEDLO C[C@H](CC(=O)OCc1ccc(C#N)cc1OC(F)F)n1cc[nH+]c1 ZINC000845283584 1321693683 /nfs/dbraw/zinc/69/36/83/1321693683.db2.gz YGPTYEPFTANGNG-LLVKDONJSA-N 1 2 335.310 3.051 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000846986310 1321830960 /nfs/dbraw/zinc/83/09/60/1321830960.db2.gz IMNFUUMIMFQHRX-INIZCTEOSA-N 1 2 328.460 3.287 20 30 EGEDLO Cc1nn2c([nH]c3ccccc3c2=O)c1C=[NH+]N[C@H](C)c1ccccc1 ZINC000920382787 1322170085 /nfs/dbraw/zinc/17/00/85/1322170085.db2.gz OOYBSAZCRQEBNA-CYBMUJFWSA-N 1 2 345.406 3.169 20 30 EGEDLO C[C@@H](CC(C)(C)C#N)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000851205673 1322353420 /nfs/dbraw/zinc/35/34/20/1322353420.db2.gz KLRGHZRSFPUWNV-LBPRGKRZSA-N 1 2 342.355 3.266 20 30 EGEDLO C#C[C@H](NC(=O)N1CCC(Nc2cccc[nH+]2)CC1)c1ccccc1 ZINC000923221838 1322714064 /nfs/dbraw/zinc/71/40/64/1322714064.db2.gz YPAYMAIYQVLDRS-SFHVURJKSA-N 1 2 334.423 3.042 20 30 EGEDLO C#C[C@](C)(CC)[NH2+]Cc1nnc(-c2ccc(Br)s2)o1 ZINC000852098082 1323146238 /nfs/dbraw/zinc/14/62/38/1323146238.db2.gz FDGORWADXITXMR-CYBMUJFWSA-N 1 2 340.246 3.452 20 30 EGEDLO C#C[C@](C)(CC)[NH2+]Cc1nc(-c2ccc(Br)s2)no1 ZINC000852103054 1323147745 /nfs/dbraw/zinc/14/77/45/1323147745.db2.gz WPHOHHQFGZNPMS-CYBMUJFWSA-N 1 2 340.246 3.452 20 30 EGEDLO C=CC[N@H+](CC(=O)c1cc(C)n(-c2cc(C)on2)c1C)[C@@H](C)COC ZINC000852357390 1323182428 /nfs/dbraw/zinc/18/24/28/1323182428.db2.gz AAZRGIHSDUTMDJ-AWEZNQCLSA-N 1 2 345.443 3.096 20 30 EGEDLO C=CC[N@@H+](CC(=O)c1cc(C)n(-c2cc(C)on2)c1C)[C@@H](C)COC ZINC000852357390 1323182446 /nfs/dbraw/zinc/18/24/46/1323182446.db2.gz AAZRGIHSDUTMDJ-AWEZNQCLSA-N 1 2 345.443 3.096 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccccc1SC(F)F)[C@H](C)COC ZINC000852359466 1323182542 /nfs/dbraw/zinc/18/25/42/1323182542.db2.gz JPTFHSOKDGQAGQ-GFCCVEGCSA-N 1 2 344.427 3.463 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1SC(F)F)[C@H](C)COC ZINC000852359466 1323182556 /nfs/dbraw/zinc/18/25/56/1323182556.db2.gz JPTFHSOKDGQAGQ-GFCCVEGCSA-N 1 2 344.427 3.463 20 30 EGEDLO CC[N@H+](CCCCCCN1C(=O)c2ccccc2C1=O)[C@@H](C)C#N ZINC000852645791 1323220892 /nfs/dbraw/zinc/22/08/92/1323220892.db2.gz LNNCMDJLOSETIU-HNNXBMFYSA-N 1 2 327.428 3.077 20 30 EGEDLO CC[N@@H+](CCCCCCN1C(=O)c2ccccc2C1=O)[C@@H](C)C#N ZINC000852645791 1323220898 /nfs/dbraw/zinc/22/08/98/1323220898.db2.gz LNNCMDJLOSETIU-HNNXBMFYSA-N 1 2 327.428 3.077 20 30 EGEDLO O=C(NC[C@@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1)c1ccco1 ZINC001024302797 1323283661 /nfs/dbraw/zinc/28/36/61/1323283661.db2.gz AQLJXRFYBHIOAC-SFHVURJKSA-N 1 2 340.398 3.055 20 30 EGEDLO O=C(NC[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(F)cc1)c1ccco1 ZINC001024302797 1323283665 /nfs/dbraw/zinc/28/36/65/1323283665.db2.gz AQLJXRFYBHIOAC-SFHVURJKSA-N 1 2 340.398 3.055 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@H]1CNC(=O)C1=CCCC1 ZINC001024390448 1323363884 /nfs/dbraw/zinc/36/38/84/1323363884.db2.gz HSZUTWRMJDMIHN-IBGZPJMESA-N 1 2 341.430 3.278 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@H]1CNC(=O)C1=CCCC1 ZINC001024390448 1323363890 /nfs/dbraw/zinc/36/38/90/1323363890.db2.gz HSZUTWRMJDMIHN-IBGZPJMESA-N 1 2 341.430 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccnn1[C@@H](C)CC ZINC001024469254 1323424285 /nfs/dbraw/zinc/42/42/85/1323424285.db2.gz WKNXAGDSDLIFLG-GJZGRUSLSA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccnn1[C@@H](C)CC ZINC001024469254 1323424288 /nfs/dbraw/zinc/42/42/88/1323424288.db2.gz WKNXAGDSDLIFLG-GJZGRUSLSA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1c2c[nH]nc2ccc1C ZINC001024518578 1323469655 /nfs/dbraw/zinc/46/96/55/1323469655.db2.gz KNQBLIFVBMZECW-CQSZACIVSA-N 1 2 346.862 3.208 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1c2c[nH]nc2ccc1C ZINC001024518578 1323469661 /nfs/dbraw/zinc/46/96/61/1323469661.db2.gz KNQBLIFVBMZECW-CQSZACIVSA-N 1 2 346.862 3.208 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2snnc2C)CC1 ZINC001024634055 1323559722 /nfs/dbraw/zinc/55/97/22/1323559722.db2.gz QXBDBZLURKPGPF-INIZCTEOSA-N 1 2 348.516 3.064 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2snnc2C)CC1 ZINC001024634055 1323559727 /nfs/dbraw/zinc/55/97/27/1323559727.db2.gz QXBDBZLURKPGPF-INIZCTEOSA-N 1 2 348.516 3.064 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCCC[C@@H]1C[NH2+][C@H](C)c1noc(C)n1 ZINC001025039246 1323841669 /nfs/dbraw/zinc/84/16/69/1323841669.db2.gz KPOBHIOTKXDZLL-UKRRQHHQSA-N 1 2 334.464 3.012 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nc(CCC)no1 ZINC001025039750 1323842129 /nfs/dbraw/zinc/84/21/29/1323842129.db2.gz WPLFOUQYIMFNGR-OAHLLOKOSA-N 1 2 348.491 3.095 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCCC[C@H]1C[NH2+]Cc1nc(C2CC2)no1 ZINC001025069288 1323868788 /nfs/dbraw/zinc/86/87/88/1323868788.db2.gz GZXAYISOSZDFTO-KXBFYZLASA-N 1 2 346.475 3.020 20 30 EGEDLO CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC001025274153 1324089915 /nfs/dbraw/zinc/08/99/15/1324089915.db2.gz UPJLJNZIRKJUEZ-OALUTQOASA-N 1 2 342.487 3.016 20 30 EGEDLO CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC001025274153 1324089922 /nfs/dbraw/zinc/08/99/22/1324089922.db2.gz UPJLJNZIRKJUEZ-OALUTQOASA-N 1 2 342.487 3.016 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000853221241 1325065270 /nfs/dbraw/zinc/06/52/70/1325065270.db2.gz UXFVJVOWMLSUOV-UHFFFAOYSA-N 1 2 341.367 3.403 20 30 EGEDLO Cc1ccc(C#N)nc1NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000853385053 1325086960 /nfs/dbraw/zinc/08/69/60/1325086960.db2.gz PIRRPQYLKUFBCP-UHFFFAOYSA-N 1 2 335.455 3.409 20 30 EGEDLO Fc1cc(C=[NH+]Nc2ccnc(Cl)c2)ccc1N1CCOCC1 ZINC000853394243 1325088655 /nfs/dbraw/zinc/08/86/55/1325088655.db2.gz JTAHPHXYHLSUHL-UHFFFAOYSA-N 1 2 334.782 3.157 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)C(F)=C(C)C)C1 ZINC001027364638 1325553585 /nfs/dbraw/zinc/55/35/85/1325553585.db2.gz GSWBPHLJMMAPKJ-GFCCVEGCSA-N 1 2 333.245 3.081 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)C(F)=C(C)C)C1 ZINC001027364638 1325553594 /nfs/dbraw/zinc/55/35/94/1325553594.db2.gz GSWBPHLJMMAPKJ-GFCCVEGCSA-N 1 2 333.245 3.081 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC23CCCC3)C1 ZINC001033564855 1341875918 /nfs/dbraw/zinc/87/59/18/1341875918.db2.gz ZXTNTBSFCWCITE-UONOGXRCSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC23CCCC3)C1 ZINC001033564855 1341875922 /nfs/dbraw/zinc/87/59/22/1341875922.db2.gz ZXTNTBSFCWCITE-UONOGXRCSA-N 1 2 341.293 3.008 20 30 EGEDLO N#Cc1ccc(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1Cl ZINC000927079861 1327849489 /nfs/dbraw/zinc/84/94/89/1327849489.db2.gz GLMAUQYQDOJOSU-UHFFFAOYSA-N 1 2 340.814 3.323 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc3scnc32)C1 ZINC000966071892 1328169010 /nfs/dbraw/zinc/16/90/10/1328169010.db2.gz BOTQOKDDQBJSCT-RISCZKNCSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc3scnc32)C1 ZINC000966071892 1328169014 /nfs/dbraw/zinc/16/90/14/1328169014.db2.gz BOTQOKDDQBJSCT-RISCZKNCSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C(C)(C)C)cn1 ZINC001027889574 1328355565 /nfs/dbraw/zinc/35/55/65/1328355565.db2.gz CLBZMIOGHBKCRO-HNNXBMFYSA-N 1 2 335.879 3.326 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C(C)(C)C)cn1 ZINC001027889574 1328355572 /nfs/dbraw/zinc/35/55/72/1328355572.db2.gz CLBZMIOGHBKCRO-HNNXBMFYSA-N 1 2 335.879 3.326 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2nc(C)oc2c1 ZINC001027949069 1328420466 /nfs/dbraw/zinc/42/04/66/1328420466.db2.gz OBLNKQYMKGKQAH-CQSZACIVSA-N 1 2 333.819 3.083 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2nc(C)oc2c1 ZINC001027949069 1328420473 /nfs/dbraw/zinc/42/04/73/1328420473.db2.gz OBLNKQYMKGKQAH-CQSZACIVSA-N 1 2 333.819 3.083 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2cc(C)ccc2O1 ZINC001028025371 1328489686 /nfs/dbraw/zinc/48/96/86/1328489686.db2.gz ITXRIVKEBBSYAZ-FUHWJXTLSA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2cc(C)ccc2O1 ZINC001028025371 1328489691 /nfs/dbraw/zinc/48/96/91/1328489691.db2.gz ITXRIVKEBBSYAZ-FUHWJXTLSA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001028032349 1328495404 /nfs/dbraw/zinc/49/54/04/1328495404.db2.gz SSTGZXAXBKTTGA-JENIJYKNSA-N 1 2 332.875 3.297 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001028032349 1328495406 /nfs/dbraw/zinc/49/54/06/1328495406.db2.gz SSTGZXAXBKTTGA-JENIJYKNSA-N 1 2 332.875 3.297 20 30 EGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1sccc1C#N ZINC000931840985 1329765440 /nfs/dbraw/zinc/76/54/40/1329765440.db2.gz VHOBPUWVSHOEOX-UHFFFAOYSA-N 1 2 331.445 3.323 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ncc(CC)o3)[C@@H](C)C2)CC1 ZINC000947689558 1333224464 /nfs/dbraw/zinc/22/44/64/1333224464.db2.gz LCLCHAQTVDEEDM-DOTOQJQBSA-N 1 2 345.487 3.453 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ncc(CC)o3)[C@@H](C)C2)CC1 ZINC000947689558 1333224467 /nfs/dbraw/zinc/22/44/67/1333224467.db2.gz LCLCHAQTVDEEDM-DOTOQJQBSA-N 1 2 345.487 3.453 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2(C)CC(=C)C2)C[C@@H]1C ZINC000947702329 1333231294 /nfs/dbraw/zinc/23/12/94/1333231294.db2.gz MNHFJJXAADUVJM-KBPBESRZSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2(C)CC(=C)C2)C[C@@H]1C ZINC000947702329 1333231296 /nfs/dbraw/zinc/23/12/96/1333231296.db2.gz MNHFJJXAADUVJM-KBPBESRZSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3coc(C4CC4)n3)[C@H](C)C2)C1 ZINC000947702676 1333232801 /nfs/dbraw/zinc/23/28/01/1333232801.db2.gz QWTYUMPZTUKDTK-ZBFHGGJFSA-N 1 2 343.471 3.377 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3coc(C4CC4)n3)[C@H](C)C2)C1 ZINC000947702676 1333232803 /nfs/dbraw/zinc/23/28/03/1333232803.db2.gz QWTYUMPZTUKDTK-ZBFHGGJFSA-N 1 2 343.471 3.377 20 30 EGEDLO C=CC[N@H+]1CCC[C@H](N(C)C(=O)c2c(Cl)[nH]nc2C2CC2)CC1 ZINC000948433336 1333523051 /nfs/dbraw/zinc/52/30/51/1333523051.db2.gz XKJIXOXSFQYYRH-ZDUSSCGKSA-N 1 2 336.867 3.053 20 30 EGEDLO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)c2c(Cl)[nH]nc2C2CC2)CC1 ZINC000948433336 1333523053 /nfs/dbraw/zinc/52/30/53/1333523053.db2.gz XKJIXOXSFQYYRH-ZDUSSCGKSA-N 1 2 336.867 3.053 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000948920257 1333734483 /nfs/dbraw/zinc/73/44/83/1333734483.db2.gz ZRFWQHMGCHCIFE-UYAOXDASSA-N 1 2 336.479 3.306 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000948920257 1333734487 /nfs/dbraw/zinc/73/44/87/1333734487.db2.gz ZRFWQHMGCHCIFE-UYAOXDASSA-N 1 2 336.479 3.306 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ncc(C)cc1C ZINC000948941184 1333742549 /nfs/dbraw/zinc/74/25/49/1333742549.db2.gz VBUNLKRNGKQGHA-FQEVSTJZSA-N 1 2 347.462 3.051 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ncc(C)cc1C ZINC000948941184 1333742551 /nfs/dbraw/zinc/74/25/51/1333742551.db2.gz VBUNLKRNGKQGHA-FQEVSTJZSA-N 1 2 347.462 3.051 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(C(C)C)cn1 ZINC000948957212 1333748001 /nfs/dbraw/zinc/74/80/01/1333748001.db2.gz COYMDUWCPBSCGA-OAQYLSRUSA-N 1 2 347.462 3.167 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(C(C)C)cn1 ZINC000948957212 1333748004 /nfs/dbraw/zinc/74/80/04/1333748004.db2.gz COYMDUWCPBSCGA-OAQYLSRUSA-N 1 2 347.462 3.167 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(C)cc1F ZINC000948966059 1333750292 /nfs/dbraw/zinc/75/02/92/1333750292.db2.gz UVRTXQGDGJIUQY-HXUWFJFHSA-N 1 2 336.410 3.097 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(C)cc1F ZINC000948966059 1333750293 /nfs/dbraw/zinc/75/02/93/1333750293.db2.gz UVRTXQGDGJIUQY-HXUWFJFHSA-N 1 2 336.410 3.097 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1sccc1OC ZINC000948978018 1333754532 /nfs/dbraw/zinc/75/45/32/1333754532.db2.gz GPOXJJZUHYVNSJ-MRXNPFEDSA-N 1 2 342.464 3.272 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1sccc1OC ZINC000948978018 1333754535 /nfs/dbraw/zinc/75/45/35/1333754535.db2.gz GPOXJJZUHYVNSJ-MRXNPFEDSA-N 1 2 342.464 3.272 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1nc(C)c(C)s1 ZINC000948986730 1333760433 /nfs/dbraw/zinc/76/04/33/1333760433.db2.gz PRULPQJBJKQVBW-QGZVFWFLSA-N 1 2 341.480 3.275 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1nc(C)c(C)s1 ZINC000948986730 1333760436 /nfs/dbraw/zinc/76/04/36/1333760436.db2.gz PRULPQJBJKQVBW-QGZVFWFLSA-N 1 2 341.480 3.275 20 30 EGEDLO C#Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCc4c3cccc4F)CC2)cc1 ZINC000949597193 1333880992 /nfs/dbraw/zinc/88/09/92/1333880992.db2.gz NFWUXHSXTJTOHP-OAQYLSRUSA-N 1 2 348.421 3.252 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cncc(-c3ccccc3)c2)C1 ZINC000950465937 1334076589 /nfs/dbraw/zinc/07/65/89/1334076589.db2.gz KGKVGDROXVAJKN-UHFFFAOYSA-N 1 2 335.451 3.471 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc3cccc(OC)c3o2)C1 ZINC000951568472 1334269702 /nfs/dbraw/zinc/26/97/02/1334269702.db2.gz IIJVPJHOZSYVOB-UHFFFAOYSA-N 1 2 328.412 3.164 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1CNc1nc(C)[nH+]c2c1CCCC2 ZINC001063538833 1351908179 /nfs/dbraw/zinc/90/81/79/1351908179.db2.gz HFVPPLODWWEQLQ-OAHLLOKOSA-N 1 2 342.487 3.279 20 30 EGEDLO CCCCCCCCCCS(=O)(=O)NCc1c[nH+]cn1CCF ZINC001201836794 1369631805 /nfs/dbraw/zinc/63/18/05/1369631805.db2.gz FVMMWEWJRDLGSF-UHFFFAOYSA-N 1 2 347.500 3.413 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccnc3ccccc32)C1 ZINC000967279866 1335687079 /nfs/dbraw/zinc/68/70/79/1335687079.db2.gz SPWASCPPQWWCFH-SCLBCKFNSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccnc3ccccc32)C1 ZINC000967279866 1335687084 /nfs/dbraw/zinc/68/70/84/1335687084.db2.gz SPWASCPPQWWCFH-SCLBCKFNSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](Cc3ccn(C(C)C)n3)CC[C@H]2C)C1 ZINC000968275924 1335882787 /nfs/dbraw/zinc/88/27/87/1335882787.db2.gz TZOULPWWOMRDTH-AEFFLSMTSA-N 1 2 344.503 3.147 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](Cc3ccn(C(C)C)n3)CC[C@H]2C)C1 ZINC000968275924 1335882790 /nfs/dbraw/zinc/88/27/90/1335882790.db2.gz TZOULPWWOMRDTH-AEFFLSMTSA-N 1 2 344.503 3.147 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C)c(F)c2F)C1 ZINC000968346391 1335896127 /nfs/dbraw/zinc/89/61/27/1335896127.db2.gz URCDYGVWEOVSRS-IINYFYTJSA-N 1 2 342.817 3.466 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C)c(F)c2F)C1 ZINC000968346391 1335896130 /nfs/dbraw/zinc/89/61/30/1335896130.db2.gz URCDYGVWEOVSRS-IINYFYTJSA-N 1 2 342.817 3.466 20 30 EGEDLO Cc1cc(NCC[C@H]2CCCCN2C(=O)[C@H](C)C#N)nc(C2CC2)[nH+]1 ZINC001063823645 1352028778 /nfs/dbraw/zinc/02/87/78/1352028778.db2.gz UQLUUPPURFQKPO-CZUORRHYSA-N 1 2 341.459 3.005 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3ccccc3n2)C1 ZINC000968578943 1335969396 /nfs/dbraw/zinc/96/93/96/1335969396.db2.gz KHBCPTVENREYCW-ACJLOTCBSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3ccccc3n2)C1 ZINC000968578943 1335969400 /nfs/dbraw/zinc/96/94/00/1335969400.db2.gz KHBCPTVENREYCW-ACJLOTCBSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1scnc1CC ZINC000968885233 1336079575 /nfs/dbraw/zinc/07/95/75/1336079575.db2.gz PSFIYPDXGZPBMK-ZDUSSCGKSA-N 1 2 341.908 3.432 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1scnc1CC ZINC000968885233 1336079577 /nfs/dbraw/zinc/07/95/77/1336079577.db2.gz PSFIYPDXGZPBMK-ZDUSSCGKSA-N 1 2 341.908 3.432 20 30 EGEDLO Cc1ccc(C(=O)N[C@H](C)C2C[NH+](Cc3ccccc3C#N)C2)s1 ZINC000969221460 1336180098 /nfs/dbraw/zinc/18/00/98/1336180098.db2.gz DBDPGPOOHFDAPG-CQSZACIVSA-N 1 2 339.464 3.179 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(C)cc(OC)c2C)C1 ZINC000970056938 1336274404 /nfs/dbraw/zinc/27/44/04/1336274404.db2.gz JRNDQJKHOPINRC-CQSZACIVSA-N 1 2 336.863 3.115 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H](C)C2C[NH+](Cc3ccnc(Cl)c3)C2)CC1 ZINC000970375628 1336299861 /nfs/dbraw/zinc/29/98/61/1336299861.db2.gz GQYQRDMHFZVMHE-AWEZNQCLSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C1CCC(C(=O)N[C@H](C)C2C[NH+](Cc3nc(C)cs3)C2)CC1 ZINC000970375880 1336300081 /nfs/dbraw/zinc/30/00/81/1336300081.db2.gz IGEJCQVGDHTPPL-CQSZACIVSA-N 1 2 333.501 3.134 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](NC(=O)c3ccsc3)C2)c1 ZINC001006678175 1336555211 /nfs/dbraw/zinc/55/52/11/1336555211.db2.gz KDKQZTPVPDXISI-INIZCTEOSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](NC(=O)c3ccsc3)C2)c1 ZINC001006678175 1336555212 /nfs/dbraw/zinc/55/52/12/1336555212.db2.gz KDKQZTPVPDXISI-INIZCTEOSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccsc3)C2)cc1F ZINC001006680354 1336556151 /nfs/dbraw/zinc/55/61/51/1336556151.db2.gz SMYCKNBUTRCISV-INIZCTEOSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3ccsc3)C2)cc1F ZINC001006680354 1336556153 /nfs/dbraw/zinc/55/61/53/1336556153.db2.gz SMYCKNBUTRCISV-INIZCTEOSA-N 1 2 343.427 3.153 20 30 EGEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)c1ccc(Cl)o1 ZINC001006749110 1336571044 /nfs/dbraw/zinc/57/10/44/1336571044.db2.gz GWRXRRROWSJKKF-MRXNPFEDSA-N 1 2 342.826 3.179 20 30 EGEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1ccc(Cl)o1 ZINC001006749110 1336571047 /nfs/dbraw/zinc/57/10/47/1336571047.db2.gz GWRXRRROWSJKKF-MRXNPFEDSA-N 1 2 342.826 3.179 20 30 EGEDLO Cc1cscc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001007054951 1336634588 /nfs/dbraw/zinc/63/45/88/1336634588.db2.gz FXISPZNKNZCNSL-KRWDZBQOSA-N 1 2 339.464 3.323 20 30 EGEDLO Cc1cscc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001007054951 1336634591 /nfs/dbraw/zinc/63/45/91/1336634591.db2.gz FXISPZNKNZCNSL-KRWDZBQOSA-N 1 2 339.464 3.323 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)c2cc(C)ccn2)C1 ZINC001007619984 1336679279 /nfs/dbraw/zinc/67/92/79/1336679279.db2.gz SQLFFDHMAKBBQW-HNNXBMFYSA-N 1 2 335.879 3.001 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)c2cc(C)ccn2)C1 ZINC001007619984 1336679283 /nfs/dbraw/zinc/67/92/83/1336679283.db2.gz SQLFFDHMAKBBQW-HNNXBMFYSA-N 1 2 335.879 3.001 20 30 EGEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001007905696 1336729966 /nfs/dbraw/zinc/72/99/66/1336729966.db2.gz DTHQENFXUHAQNN-IPMKNSEASA-N 1 2 339.483 3.321 20 30 EGEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001007905696 1336729968 /nfs/dbraw/zinc/72/99/68/1336729968.db2.gz DTHQENFXUHAQNN-IPMKNSEASA-N 1 2 339.483 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2([C@H]3CCCCO3)CCC2)C1 ZINC001007923572 1336733800 /nfs/dbraw/zinc/73/38/00/1336733800.db2.gz ZXERRBIPCULWMB-JKSUJKDBSA-N 1 2 340.895 3.059 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2([C@H]3CCCCO3)CCC2)C1 ZINC001007923572 1336733802 /nfs/dbraw/zinc/73/38/02/1336733802.db2.gz ZXERRBIPCULWMB-JKSUJKDBSA-N 1 2 340.895 3.059 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001007998399 1336745301 /nfs/dbraw/zinc/74/53/01/1336745301.db2.gz PYLKKFYJKNVJKM-UFYCRDLUSA-N 1 2 337.467 3.075 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001007998399 1336745302 /nfs/dbraw/zinc/74/53/02/1336745302.db2.gz PYLKKFYJKNVJKM-UFYCRDLUSA-N 1 2 337.467 3.075 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2COc3cc(C)c(C)cc32)C1 ZINC001008057138 1336760375 /nfs/dbraw/zinc/76/03/75/1336760375.db2.gz LCROCEDUGKAISP-DOTOQJQBSA-N 1 2 348.874 3.113 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2COc3cc(C)c(C)cc32)C1 ZINC001008057138 1336760376 /nfs/dbraw/zinc/76/03/76/1336760376.db2.gz LCROCEDUGKAISP-DOTOQJQBSA-N 1 2 348.874 3.113 20 30 EGEDLO CC(C)(C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1)C1CCC1 ZINC001008080621 1336764258 /nfs/dbraw/zinc/76/42/58/1336764258.db2.gz BFRVGOOKQORLDA-IBGZPJMESA-N 1 2 339.483 3.465 20 30 EGEDLO CC(C)(C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1)C1CCC1 ZINC001008080621 1336764259 /nfs/dbraw/zinc/76/42/59/1336764259.db2.gz BFRVGOOKQORLDA-IBGZPJMESA-N 1 2 339.483 3.465 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001008088318 1336766742 /nfs/dbraw/zinc/76/67/42/1336766742.db2.gz LHIDUBYYRKPJBG-HNNXBMFYSA-N 1 2 331.847 3.423 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001008088318 1336766744 /nfs/dbraw/zinc/76/67/44/1336766744.db2.gz LHIDUBYYRKPJBG-HNNXBMFYSA-N 1 2 331.847 3.423 20 30 EGEDLO CC(C)(C(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1)C1CC1 ZINC001008247173 1336803316 /nfs/dbraw/zinc/80/33/16/1336803316.db2.gz AYAHWTLPYNRDGG-KRWDZBQOSA-N 1 2 343.446 3.214 20 30 EGEDLO CC(C)(C(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1)C1CC1 ZINC001008247173 1336803320 /nfs/dbraw/zinc/80/33/20/1336803320.db2.gz AYAHWTLPYNRDGG-KRWDZBQOSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001008247244 1336803331 /nfs/dbraw/zinc/80/33/31/1336803331.db2.gz BDGSCZUUJWVWOI-QZTJIDSGSA-N 1 2 325.456 3.075 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001008247244 1336803332 /nfs/dbraw/zinc/80/33/32/1336803332.db2.gz BDGSCZUUJWVWOI-QZTJIDSGSA-N 1 2 325.456 3.075 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC001008402328 1336843398 /nfs/dbraw/zinc/84/33/98/1336843398.db2.gz AMOSQSXMZCGYQK-FQEVSTJZSA-N 1 2 337.467 3.385 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC001008402328 1336843401 /nfs/dbraw/zinc/84/34/01/1336843401.db2.gz AMOSQSXMZCGYQK-FQEVSTJZSA-N 1 2 337.467 3.385 20 30 EGEDLO CC1(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)CC=CC1 ZINC001008426693 1336849900 /nfs/dbraw/zinc/84/99/00/1336849900.db2.gz GGYOBDNWRGHNIG-KRWDZBQOSA-N 1 2 341.430 3.134 20 30 EGEDLO CC1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)CC=CC1 ZINC001008426693 1336849901 /nfs/dbraw/zinc/84/99/01/1336849901.db2.gz GGYOBDNWRGHNIG-KRWDZBQOSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(O)ccc3Cl)C2)C1 ZINC001008466852 1336864232 /nfs/dbraw/zinc/86/42/32/1336864232.db2.gz ZQVZTVAOABBBIS-OAHLLOKOSA-N 1 2 348.874 3.483 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(O)ccc3Cl)C2)C1 ZINC001008466852 1336864235 /nfs/dbraw/zinc/86/42/35/1336864235.db2.gz ZQVZTVAOABBBIS-OAHLLOKOSA-N 1 2 348.874 3.483 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-c3cn[nH]c3)cc2)C1 ZINC001008849557 1336933525 /nfs/dbraw/zinc/93/35/25/1336933525.db2.gz PXRLSLVFCUGHFW-QGZVFWFLSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(-c3cn[nH]c3)cc2)C1 ZINC001008849557 1336933527 /nfs/dbraw/zinc/93/35/27/1336933527.db2.gz PXRLSLVFCUGHFW-QGZVFWFLSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cc3c(C)cccn3c2)C1 ZINC001009185087 1336983133 /nfs/dbraw/zinc/98/31/33/1336983133.db2.gz AJBVIIRIJZSDSB-INIZCTEOSA-N 1 2 331.847 3.194 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cc3c(C)cccn3c2)C1 ZINC001009185087 1336983135 /nfs/dbraw/zinc/98/31/35/1336983135.db2.gz AJBVIIRIJZSDSB-INIZCTEOSA-N 1 2 331.847 3.194 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2c(F)cccc2Cl)C1 ZINC001009310629 1337003488 /nfs/dbraw/zinc/00/34/88/1337003488.db2.gz FAXJQBFDDAUIEZ-LBPRGKRZSA-N 1 2 345.245 3.355 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2c(F)cccc2Cl)C1 ZINC001009310629 1337003489 /nfs/dbraw/zinc/00/34/89/1337003489.db2.gz FAXJQBFDDAUIEZ-LBPRGKRZSA-N 1 2 345.245 3.355 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3ccc(F)s3)C2)s1 ZINC001009702207 1337063265 /nfs/dbraw/zinc/06/32/65/1337063265.db2.gz JWZRMUZUZFZUQC-NSHDSACASA-N 1 2 349.456 3.215 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccc(F)s3)C2)s1 ZINC001009702207 1337063267 /nfs/dbraw/zinc/06/32/67/1337063267.db2.gz JWZRMUZUZFZUQC-NSHDSACASA-N 1 2 349.456 3.215 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc3ccc(C)nc32)C1 ZINC001014878434 1337936656 /nfs/dbraw/zinc/93/66/56/1337936656.db2.gz QSVCYWIXZOJUAZ-HNNXBMFYSA-N 1 2 329.831 3.100 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc3ccc(C)nc32)C1 ZINC001014878434 1337936659 /nfs/dbraw/zinc/93/66/59/1337936659.db2.gz QSVCYWIXZOJUAZ-HNNXBMFYSA-N 1 2 329.831 3.100 20 30 EGEDLO CCc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)s1 ZINC001015149069 1338034714 /nfs/dbraw/zinc/03/47/14/1338034714.db2.gz LBEQYSOAHIPNJC-INIZCTEOSA-N 1 2 339.464 3.186 20 30 EGEDLO CCc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)s1 ZINC001015149069 1338034719 /nfs/dbraw/zinc/03/47/19/1338034719.db2.gz LBEQYSOAHIPNJC-INIZCTEOSA-N 1 2 339.464 3.186 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccc(CC(C)C)cc2)C1 ZINC001015158177 1338037505 /nfs/dbraw/zinc/03/75/05/1338037505.db2.gz BFSUULOJUNDGML-SFHVURJKSA-N 1 2 334.891 3.371 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(CC(C)C)cc2)C1 ZINC001015158177 1338037509 /nfs/dbraw/zinc/03/75/09/1338037509.db2.gz BFSUULOJUNDGML-SFHVURJKSA-N 1 2 334.891 3.371 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c2cccc3Cl)C1 ZINC001015301256 1338090458 /nfs/dbraw/zinc/09/04/58/1338090458.db2.gz SVBRUKSZCVZOID-SWLSCSKDSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c2cccc3Cl)C1 ZINC001015301256 1338090463 /nfs/dbraw/zinc/09/04/63/1338090463.db2.gz SVBRUKSZCVZOID-SWLSCSKDSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)c2ccc(Cl)cc2)C1 ZINC001015648719 1338228201 /nfs/dbraw/zinc/22/82/01/1338228201.db2.gz JSYFOPAWOUCCJW-DOMZBBRYSA-N 1 2 327.255 3.387 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2ccc(Cl)cc2)C1 ZINC001015648719 1338228202 /nfs/dbraw/zinc/22/82/02/1338228202.db2.gz JSYFOPAWOUCCJW-DOMZBBRYSA-N 1 2 327.255 3.387 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC001015679636 1338255013 /nfs/dbraw/zinc/25/50/13/1338255013.db2.gz IQLDRVRMGSVKFD-JHJVBQTASA-N 1 2 340.801 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC001015679636 1338255014 /nfs/dbraw/zinc/25/50/14/1338255014.db2.gz IQLDRVRMGSVKFD-JHJVBQTASA-N 1 2 340.801 3.011 20 30 EGEDLO C=Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)cc1 ZINC001015739911 1338281539 /nfs/dbraw/zinc/28/15/39/1338281539.db2.gz JOMLWZXROWONQJ-OAQYLSRUSA-N 1 2 348.421 3.325 20 30 EGEDLO C=Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)cc1 ZINC001015739911 1338281540 /nfs/dbraw/zinc/28/15/40/1338281540.db2.gz JOMLWZXROWONQJ-OAQYLSRUSA-N 1 2 348.421 3.325 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c(F)c1 ZINC001015752177 1338289913 /nfs/dbraw/zinc/28/99/13/1338289913.db2.gz OGYQDKRQYDDDLL-QGZVFWFLSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c(F)c1 ZINC001015752177 1338289919 /nfs/dbraw/zinc/28/99/19/1338289919.db2.gz OGYQDKRQYDDDLL-QGZVFWFLSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1ccc(F)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001015759127 1338293754 /nfs/dbraw/zinc/29/37/54/1338293754.db2.gz NZMSYOUVFGIDJB-KRWDZBQOSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1ccc(F)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001015759127 1338293756 /nfs/dbraw/zinc/29/37/56/1338293756.db2.gz NZMSYOUVFGIDJB-KRWDZBQOSA-N 1 2 337.398 3.010 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]ccc2-c2ccccc2)C1 ZINC001015982378 1338391752 /nfs/dbraw/zinc/39/17/52/1338391752.db2.gz DVNGHYNNYLQKBV-OAHLLOKOSA-N 1 2 329.831 3.238 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2[nH]ccc2-c2ccccc2)C1 ZINC001015982378 1338391756 /nfs/dbraw/zinc/39/17/56/1338391756.db2.gz DVNGHYNNYLQKBV-OAHLLOKOSA-N 1 2 329.831 3.238 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)sc1Cl ZINC001017618705 1339377801 /nfs/dbraw/zinc/37/78/01/1339377801.db2.gz UYPZEHSGYVWFKW-PHIMTYICSA-N 1 2 343.279 3.367 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)sc1Cl ZINC001017618705 1339377803 /nfs/dbraw/zinc/37/78/03/1339377803.db2.gz UYPZEHSGYVWFKW-PHIMTYICSA-N 1 2 343.279 3.367 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1ccccc1Cl ZINC001018007789 1339480916 /nfs/dbraw/zinc/48/09/16/1339480916.db2.gz RNXSHYPFZOQLEK-RYQLBKOJSA-N 1 2 344.886 3.217 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1ccccc1Cl ZINC001018007789 1339480923 /nfs/dbraw/zinc/48/09/23/1339480923.db2.gz RNXSHYPFZOQLEK-RYQLBKOJSA-N 1 2 344.886 3.217 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC001018317903 1339574662 /nfs/dbraw/zinc/57/46/62/1339574662.db2.gz VWBUPWLYOIVPAQ-HSALFYBXSA-N 1 2 342.458 3.264 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC001018317903 1339574665 /nfs/dbraw/zinc/57/46/65/1339574665.db2.gz VWBUPWLYOIVPAQ-HSALFYBXSA-N 1 2 342.458 3.264 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cn1 ZINC001028059745 1340403825 /nfs/dbraw/zinc/40/38/25/1340403825.db2.gz FZZFKHFVSLAMFM-GFCCVEGCSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cn1 ZINC001028059745 1340403828 /nfs/dbraw/zinc/40/38/28/1340403828.db2.gz FZZFKHFVSLAMFM-GFCCVEGCSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@H+]2[C@@H](C)c2nc(CC)no2)CC1 ZINC001028116100 1340437635 /nfs/dbraw/zinc/43/76/35/1340437635.db2.gz CHRWIDVPLOBDTG-GOEBONIOSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H](C)c2nc(CC)no2)CC1 ZINC001028116100 1340437637 /nfs/dbraw/zinc/43/76/37/1340437637.db2.gz CHRWIDVPLOBDTG-GOEBONIOSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC001028190397 1340476019 /nfs/dbraw/zinc/47/60/19/1340476019.db2.gz SYHFHFKYKDZGTA-BHYGNILZSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC001028190397 1340476021 /nfs/dbraw/zinc/47/60/21/1340476021.db2.gz SYHFHFKYKDZGTA-BHYGNILZSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnc2ccc(F)cc2c1 ZINC001028240670 1340500709 /nfs/dbraw/zinc/50/07/09/1340500709.db2.gz DPSMRZZHVPLFPN-MRXNPFEDSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc2ccc(F)cc2c1 ZINC001028240670 1340500713 /nfs/dbraw/zinc/50/07/13/1340500713.db2.gz DPSMRZZHVPLFPN-MRXNPFEDSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(OC)c(Cl)c1 ZINC001028307682 1340556136 /nfs/dbraw/zinc/55/61/36/1340556136.db2.gz MNNJNXNRGNTVNO-ZDUSSCGKSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(OC)c(Cl)c1 ZINC001028307682 1340556137 /nfs/dbraw/zinc/55/61/37/1340556137.db2.gz MNNJNXNRGNTVNO-ZDUSSCGKSA-N 1 2 343.254 3.295 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)c(F)c1 ZINC001029421966 1340986566 /nfs/dbraw/zinc/98/65/66/1340986566.db2.gz PIJRJGIBLIOZJY-GASCZTMLSA-N 1 2 334.410 3.352 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(F)c1 ZINC001029421966 1340986567 /nfs/dbraw/zinc/98/65/67/1340986567.db2.gz PIJRJGIBLIOZJY-GASCZTMLSA-N 1 2 334.410 3.352 20 30 EGEDLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(F)c(C#N)c2)CCC1 ZINC001029425329 1340987399 /nfs/dbraw/zinc/98/73/99/1340987399.db2.gz ZIDAMWNWCGXQCB-CALCHBBNSA-N 1 2 341.430 3.063 20 30 EGEDLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(F)c(C#N)c2)CCC1 ZINC001029425329 1340987400 /nfs/dbraw/zinc/98/74/00/1340987400.db2.gz ZIDAMWNWCGXQCB-CALCHBBNSA-N 1 2 341.430 3.063 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H](C[N@@H+](C)[C@@H](C)c3csnn3)C2)CC1 ZINC001029826758 1341088112 /nfs/dbraw/zinc/08/81/12/1341088112.db2.gz VISGFMOIRSQSBC-LSDHHAIUSA-N 1 2 348.516 3.126 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H](C[N@H+](C)[C@@H](C)c3csnn3)C2)CC1 ZINC001029826758 1341088113 /nfs/dbraw/zinc/08/81/13/1341088113.db2.gz VISGFMOIRSQSBC-LSDHHAIUSA-N 1 2 348.516 3.126 20 30 EGEDLO C=CCn1cccc1C(=O)NC1C[NH+](Cc2ccccc2C2CC2)C1 ZINC001030448052 1341188545 /nfs/dbraw/zinc/18/85/45/1341188545.db2.gz ZHUFOXFZGGPNMR-UHFFFAOYSA-N 1 2 335.451 3.166 20 30 EGEDLO C=C1CCC(C(=O)NC2C[NH+](CCOc3cc(C)cc(C)c3)C2)CC1 ZINC001030903603 1341246848 /nfs/dbraw/zinc/24/68/48/1341246848.db2.gz MWJCBQJEFUIKEY-UHFFFAOYSA-N 1 2 342.483 3.229 20 30 EGEDLO C#Cc1ccc(C(=O)NC2C[NH+]([C@H](C)c3ccc(C(C)C)cc3)C2)nc1 ZINC001031278056 1341309416 /nfs/dbraw/zinc/30/94/16/1341309416.db2.gz BASANMAREFBYNL-MRXNPFEDSA-N 1 2 347.462 3.362 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001031912201 1341420357 /nfs/dbraw/zinc/42/03/57/1341420357.db2.gz PYTXMSWXPNIBEC-GOSISDBHSA-N 1 2 344.886 3.176 20 30 EGEDLO C[C@@H]1CCC[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)C1 ZINC001031938762 1341426785 /nfs/dbraw/zinc/42/67/85/1341426785.db2.gz NNUVXYZENHCVOV-PBHICJAKSA-N 1 2 343.446 3.072 20 30 EGEDLO C=C1CCC(C(=O)NCC2C[NH+](Cc3nc4ccccc4o3)C2)CC1 ZINC001031950708 1341429569 /nfs/dbraw/zinc/42/95/69/1341429569.db2.gz TWUCXNBHUHTSKP-UHFFFAOYSA-N 1 2 339.439 3.122 20 30 EGEDLO CC(C)(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032560923 1341540971 /nfs/dbraw/zinc/54/09/71/1341540971.db2.gz WDRAURMQFHAUES-ROUUACIJSA-N 1 2 339.483 3.416 20 30 EGEDLO CC(C)(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032560923 1341540972 /nfs/dbraw/zinc/54/09/72/1341540972.db2.gz WDRAURMQFHAUES-ROUUACIJSA-N 1 2 339.483 3.416 20 30 EGEDLO CC1(C)CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)C1 ZINC001032608485 1341557618 /nfs/dbraw/zinc/55/76/18/1341557618.db2.gz PCVHVKAOCMDEAE-QYZOEREBSA-N 1 2 337.467 3.170 20 30 EGEDLO CC1(C)CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)C1 ZINC001032608485 1341557619 /nfs/dbraw/zinc/55/76/19/1341557619.db2.gz PCVHVKAOCMDEAE-QYZOEREBSA-N 1 2 337.467 3.170 20 30 EGEDLO C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1)C1CCCC1 ZINC001032724946 1341591943 /nfs/dbraw/zinc/59/19/43/1341591943.db2.gz IBFHKXBJWLPEGP-YSSFQJQWSA-N 1 2 337.467 3.170 20 30 EGEDLO C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1)C1CCCC1 ZINC001032724946 1341591944 /nfs/dbraw/zinc/59/19/44/1341591944.db2.gz IBFHKXBJWLPEGP-YSSFQJQWSA-N 1 2 337.467 3.170 20 30 EGEDLO CN(C(=O)[C@H]1CC=CCC1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032900975 1341657612 /nfs/dbraw/zinc/65/76/12/1341657612.db2.gz MHWMEZZIRNNGFG-HNAYVOBHSA-N 1 2 341.430 3.086 20 30 EGEDLO CN(C(=O)[C@H]1CC=CCC1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032900975 1341657615 /nfs/dbraw/zinc/65/76/15/1341657615.db2.gz MHWMEZZIRNNGFG-HNAYVOBHSA-N 1 2 341.430 3.086 20 30 EGEDLO CCc1occc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033043393 1341706276 /nfs/dbraw/zinc/70/62/76/1341706276.db2.gz KUAWJZSCVFRREZ-KRWDZBQOSA-N 1 2 337.423 3.060 20 30 EGEDLO CCc1occc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033043393 1341706278 /nfs/dbraw/zinc/70/62/78/1341706278.db2.gz KUAWJZSCVFRREZ-KRWDZBQOSA-N 1 2 337.423 3.060 20 30 EGEDLO Cc1coc(C)c1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033047856 1341707472 /nfs/dbraw/zinc/70/74/72/1341707472.db2.gz KHCFLYNQAHTCNL-SFHVURJKSA-N 1 2 337.423 3.115 20 30 EGEDLO Cc1coc(C)c1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033047856 1341707474 /nfs/dbraw/zinc/70/74/74/1341707474.db2.gz KHCFLYNQAHTCNL-SFHVURJKSA-N 1 2 337.423 3.115 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC23CC3)C1 ZINC001033194864 1341749569 /nfs/dbraw/zinc/74/95/69/1341749569.db2.gz DINSTAWTHOLMIC-ZIAGYGMSSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC23CC3)C1 ZINC001033194864 1341749570 /nfs/dbraw/zinc/74/95/70/1341749570.db2.gz DINSTAWTHOLMIC-ZIAGYGMSSA-N 1 2 341.293 3.008 20 30 EGEDLO CCc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)o1 ZINC001033200802 1341751505 /nfs/dbraw/zinc/75/15/05/1341751505.db2.gz XDJNNBXZQCVYRL-KRWDZBQOSA-N 1 2 337.423 3.060 20 30 EGEDLO CCc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)o1 ZINC001033200802 1341751507 /nfs/dbraw/zinc/75/15/07/1341751507.db2.gz XDJNNBXZQCVYRL-KRWDZBQOSA-N 1 2 337.423 3.060 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3cc(C)ccc3n2)C1 ZINC001033254756 1341759730 /nfs/dbraw/zinc/75/97/30/1341759730.db2.gz PRYBMAFOJPTPNL-MRXNPFEDSA-N 1 2 343.858 3.442 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3cc(C)ccc3n2)C1 ZINC001033254756 1341759731 /nfs/dbraw/zinc/75/97/31/1341759731.db2.gz PRYBMAFOJPTPNL-MRXNPFEDSA-N 1 2 343.858 3.442 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001033307518 1341775520 /nfs/dbraw/zinc/77/55/20/1341775520.db2.gz XNBIZYZGARKCMM-HNNXBMFYSA-N 1 2 331.847 3.375 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001033307518 1341775523 /nfs/dbraw/zinc/77/55/23/1341775523.db2.gz XNBIZYZGARKCMM-HNNXBMFYSA-N 1 2 331.847 3.375 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001033316978 1341779364 /nfs/dbraw/zinc/77/93/64/1341779364.db2.gz BYDKJRHYFZUTRZ-HNNXBMFYSA-N 1 2 331.847 3.375 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001033316978 1341779365 /nfs/dbraw/zinc/77/93/65/1341779365.db2.gz BYDKJRHYFZUTRZ-HNNXBMFYSA-N 1 2 331.847 3.375 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC001033495031 1341846376 /nfs/dbraw/zinc/84/63/76/1341846376.db2.gz OFAQKJWGPZKSRG-RBSFLKMASA-N 1 2 338.904 3.445 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC001033495031 1341846377 /nfs/dbraw/zinc/84/63/77/1341846377.db2.gz OFAQKJWGPZKSRG-RBSFLKMASA-N 1 2 338.904 3.445 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(N(CC)CC)cc2)C1 ZINC001033612878 1341902226 /nfs/dbraw/zinc/90/22/26/1341902226.db2.gz HUIUIJGDOCGXJE-GOSISDBHSA-N 1 2 349.906 3.432 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(N(CC)CC)cc2)C1 ZINC001033612878 1341902227 /nfs/dbraw/zinc/90/22/27/1341902227.db2.gz HUIUIJGDOCGXJE-GOSISDBHSA-N 1 2 349.906 3.432 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)CCCC3)C1 ZINC001033640404 1341923170 /nfs/dbraw/zinc/92/31/70/1341923170.db2.gz UIFJAZRUOOWODA-SFHVURJKSA-N 1 2 332.875 3.464 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)CCCC3)C1 ZINC001033640404 1341923172 /nfs/dbraw/zinc/92/31/72/1341923172.db2.gz UIFJAZRUOOWODA-SFHVURJKSA-N 1 2 332.875 3.464 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2(c3ccccc3OC)CC2)C1 ZINC001033701525 1341966810 /nfs/dbraw/zinc/96/68/10/1341966810.db2.gz HEEBMMRTKWSQFZ-OAHLLOKOSA-N 1 2 348.874 3.012 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(c3ccccc3OC)CC2)C1 ZINC001033701525 1341966811 /nfs/dbraw/zinc/96/68/11/1341966811.db2.gz HEEBMMRTKWSQFZ-OAHLLOKOSA-N 1 2 348.874 3.012 20 30 EGEDLO CCN(C(=O)C1CCC1)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033724017 1341977055 /nfs/dbraw/zinc/97/70/55/1341977055.db2.gz XWPVYDMDNXTJSC-GOSISDBHSA-N 1 2 344.886 3.414 20 30 EGEDLO CCN(C(=O)C1CCC1)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033724017 1341977056 /nfs/dbraw/zinc/97/70/56/1341977056.db2.gz XWPVYDMDNXTJSC-GOSISDBHSA-N 1 2 344.886 3.414 20 30 EGEDLO CCN(C(=O)c1coc(C)c1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033805876 1342021951 /nfs/dbraw/zinc/02/19/51/1342021951.db2.gz YZAAICZWPWZFJC-IBGZPJMESA-N 1 2 337.423 3.196 20 30 EGEDLO CCN(C(=O)c1coc(C)c1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033805876 1342021954 /nfs/dbraw/zinc/02/19/54/1342021954.db2.gz YZAAICZWPWZFJC-IBGZPJMESA-N 1 2 337.423 3.196 20 30 EGEDLO CCN(C(=O)c1cc(C)co1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033933634 1342096594 /nfs/dbraw/zinc/09/65/94/1342096594.db2.gz FCXZNDYKWUOTDE-SFHVURJKSA-N 1 2 337.423 3.196 20 30 EGEDLO CCN(C(=O)c1cc(C)co1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033933634 1342096595 /nfs/dbraw/zinc/09/65/95/1342096595.db2.gz FCXZNDYKWUOTDE-SFHVURJKSA-N 1 2 337.423 3.196 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)C2Cc3ccccc3C2)C1 ZINC001033964938 1342116459 /nfs/dbraw/zinc/11/64/59/1342116459.db2.gz OCRHJCYVFNMLAR-GOSISDBHSA-N 1 2 332.875 3.077 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)C2Cc3ccccc3C2)C1 ZINC001033964938 1342116461 /nfs/dbraw/zinc/11/64/61/1342116461.db2.gz OCRHJCYVFNMLAR-GOSISDBHSA-N 1 2 332.875 3.077 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(COC)cc2)C1 ZINC001034037909 1342178294 /nfs/dbraw/zinc/17/82/94/1342178294.db2.gz BTZRQUOVKTUNRK-KRWDZBQOSA-N 1 2 336.863 3.122 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(COC)cc2)C1 ZINC001034037909 1342178297 /nfs/dbraw/zinc/17/82/97/1342178297.db2.gz BTZRQUOVKTUNRK-KRWDZBQOSA-N 1 2 336.863 3.122 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cccnc2C(F)F)C1 ZINC001034296598 1342380956 /nfs/dbraw/zinc/38/09/56/1342380956.db2.gz QZJODRCACKPEGX-LBPRGKRZSA-N 1 2 343.805 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cccnc2C(F)F)C1 ZINC001034296598 1342380959 /nfs/dbraw/zinc/38/09/59/1342380959.db2.gz QZJODRCACKPEGX-LBPRGKRZSA-N 1 2 343.805 3.356 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(C)ccc2OC)C1 ZINC001034304160 1342386782 /nfs/dbraw/zinc/38/67/82/1342386782.db2.gz PCVXDFKFGKKLSY-OAHLLOKOSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C)ccc2OC)C1 ZINC001034304160 1342386785 /nfs/dbraw/zinc/38/67/85/1342386785.db2.gz PCVXDFKFGKKLSY-OAHLLOKOSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cccc3c2O[C@@H](C)C3)C1 ZINC001034314545 1342394650 /nfs/dbraw/zinc/39/46/50/1342394650.db2.gz UKQIZSMCOIOVBU-HOCLYGCPSA-N 1 2 348.874 3.347 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cccc3c2O[C@@H](C)C3)C1 ZINC001034314545 1342394652 /nfs/dbraw/zinc/39/46/52/1342394652.db2.gz UKQIZSMCOIOVBU-HOCLYGCPSA-N 1 2 348.874 3.347 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@@H+]([C@H](C)c3ncccn3)C2)CC1 ZINC001034383667 1342451955 /nfs/dbraw/zinc/45/19/55/1342451955.db2.gz ZDNGWTLMYLWTCT-AEFFLSMTSA-N 1 2 342.487 3.255 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@H+]([C@H](C)c3ncccn3)C2)CC1 ZINC001034383667 1342451957 /nfs/dbraw/zinc/45/19/57/1342451957.db2.gz ZDNGWTLMYLWTCT-AEFFLSMTSA-N 1 2 342.487 3.255 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@@H+]([C@@H](C)c3ncc(C)o3)C2)C1 ZINC001034389267 1342458985 /nfs/dbraw/zinc/45/89/85/1342458985.db2.gz NYEYNRQYXPHORI-HOTGVXAUSA-N 1 2 331.460 3.371 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@H+]([C@@H](C)c3ncc(C)o3)C2)C1 ZINC001034389267 1342458988 /nfs/dbraw/zinc/45/89/88/1342458988.db2.gz NYEYNRQYXPHORI-HOTGVXAUSA-N 1 2 331.460 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2nc(C3CC3)oc2C)C1 ZINC001034463903 1342519120 /nfs/dbraw/zinc/51/91/20/1342519120.db2.gz BKPXEUNVSWGZGB-CQSZACIVSA-N 1 2 337.851 3.197 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2nc(C3CC3)oc2C)C1 ZINC001034463903 1342519125 /nfs/dbraw/zinc/51/91/25/1342519125.db2.gz BKPXEUNVSWGZGB-CQSZACIVSA-N 1 2 337.851 3.197 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cnn(C(C)C)c2C)C1 ZINC001034479988 1342536593 /nfs/dbraw/zinc/53/65/93/1342536593.db2.gz DFSZGANPVMTMFB-OAHLLOKOSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cnn(C(C)C)c2C)C1 ZINC001034479988 1342536602 /nfs/dbraw/zinc/53/66/02/1342536602.db2.gz DFSZGANPVMTMFB-OAHLLOKOSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2Cc3c(cccc3C)O2)C1 ZINC001034487613 1342546490 /nfs/dbraw/zinc/54/64/90/1342546490.db2.gz PJLLGAVGTQSDEJ-YJBOKZPZSA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2Cc3c(cccc3C)O2)C1 ZINC001034487613 1342546494 /nfs/dbraw/zinc/54/64/94/1342546494.db2.gz PJLLGAVGTQSDEJ-YJBOKZPZSA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001034555948 1342616819 /nfs/dbraw/zinc/61/68/19/1342616819.db2.gz DEKNGZUIWDHBGX-OAHLLOKOSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001034555948 1342616823 /nfs/dbraw/zinc/61/68/23/1342616823.db2.gz DEKNGZUIWDHBGX-OAHLLOKOSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(CCCC)cc2)C1 ZINC001035434042 1343092578 /nfs/dbraw/zinc/09/25/78/1343092578.db2.gz AXWINOGXGXDHEZ-IBGZPJMESA-N 1 2 330.472 3.036 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(CCCC)cc2)C1 ZINC001035434042 1343092582 /nfs/dbraw/zinc/09/25/82/1343092582.db2.gz AXWINOGXGXDHEZ-IBGZPJMESA-N 1 2 330.472 3.036 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cccc(C(C)C)n1)CC2 ZINC001035743859 1343164666 /nfs/dbraw/zinc/16/46/66/1343164666.db2.gz RYQMUVYULFLEAF-UHFFFAOYSA-N 1 2 347.890 3.496 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC2(C[NH+](Cc3csc(C)n3)C2)CC1 ZINC001035784994 1343195275 /nfs/dbraw/zinc/19/52/75/1343195275.db2.gz NALCUGWNBOXNML-SFHVURJKSA-N 1 2 347.528 3.478 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]1C1CCCC1)CC2 ZINC001035825800 1343215944 /nfs/dbraw/zinc/21/59/44/1343215944.db2.gz AYZZPNGIBPKGRE-IAGOWNOFSA-N 1 2 336.907 3.490 20 30 EGEDLO Cc1c(F)cccc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038274262 1344351969 /nfs/dbraw/zinc/35/19/69/1344351969.db2.gz HCCPCKNKTDSPNJ-KRWDZBQOSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1c(F)cccc1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038274262 1344351972 /nfs/dbraw/zinc/35/19/72/1344351972.db2.gz HCCPCKNKTDSPNJ-KRWDZBQOSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)ccc1F ZINC001038640727 1344516536 /nfs/dbraw/zinc/51/65/36/1344516536.db2.gz LVERASVAICBIMT-GOSISDBHSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)ccc1F ZINC001038640727 1344516538 /nfs/dbraw/zinc/51/65/38/1344516538.db2.gz LVERASVAICBIMT-GOSISDBHSA-N 1 2 337.398 3.010 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]2Cc2cn(C(C)C)nc2C)CC1 ZINC001038669097 1344532737 /nfs/dbraw/zinc/53/27/37/1344532737.db2.gz ZJGDPQLBFJHDRG-LJQANCHMSA-N 1 2 344.503 3.209 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2Cc2cn(C(C)C)nc2C)CC1 ZINC001038669097 1344532739 /nfs/dbraw/zinc/53/27/39/1344532739.db2.gz ZJGDPQLBFJHDRG-LJQANCHMSA-N 1 2 344.503 3.209 20 30 EGEDLO C=Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)cc1 ZINC001038728976 1344555973 /nfs/dbraw/zinc/55/59/73/1344555973.db2.gz ANCAJCGPMOQRRO-NRFANRHFSA-N 1 2 330.431 3.185 20 30 EGEDLO C=Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2CC#Cc2ccccc2)cc1 ZINC001038728976 1344555979 /nfs/dbraw/zinc/55/59/79/1344555979.db2.gz ANCAJCGPMOQRRO-NRFANRHFSA-N 1 2 330.431 3.185 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccsc2Cl)cc1 ZINC001038772310 1344578561 /nfs/dbraw/zinc/57/85/61/1344578561.db2.gz HUTGOVNUOPJTDF-CQSZACIVSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccsc2Cl)cc1 ZINC001038772310 1344578565 /nfs/dbraw/zinc/57/85/65/1344578565.db2.gz HUTGOVNUOPJTDF-CQSZACIVSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2csc(Cl)c2)cc1 ZINC001038775902 1344580529 /nfs/dbraw/zinc/58/05/29/1344580529.db2.gz HRASBPQEDOMEGN-OAHLLOKOSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2csc(Cl)c2)cc1 ZINC001038775902 1344580533 /nfs/dbraw/zinc/58/05/33/1344580533.db2.gz HRASBPQEDOMEGN-OAHLLOKOSA-N 1 2 345.855 3.277 20 30 EGEDLO CC[C@H]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)CC1 ZINC001038943031 1344666283 /nfs/dbraw/zinc/66/62/83/1344666283.db2.gz REIQCFIVBRINKA-JBACZVJFSA-N 1 2 338.495 3.445 20 30 EGEDLO CC[C@H]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2CC#Cc2ccccc2)CC1 ZINC001038943031 1344666284 /nfs/dbraw/zinc/66/62/84/1344666284.db2.gz REIQCFIVBRINKA-JBACZVJFSA-N 1 2 338.495 3.445 20 30 EGEDLO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)cc1C ZINC001038988978 1344699987 /nfs/dbraw/zinc/69/99/87/1344699987.db2.gz FPUIRJXKQLGXRV-NRFANRHFSA-N 1 2 332.447 3.159 20 30 EGEDLO Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2CC#Cc2ccccc2)cc1C ZINC001038988978 1344699990 /nfs/dbraw/zinc/69/99/90/1344699990.db2.gz FPUIRJXKQLGXRV-NRFANRHFSA-N 1 2 332.447 3.159 20 30 EGEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)c1cccc(C2CC2)c1 ZINC001039053224 1344736314 /nfs/dbraw/zinc/73/63/14/1344736314.db2.gz GHQRVVFESBHTEV-QFIPXVFZSA-N 1 2 344.458 3.420 20 30 EGEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)c1cccc(C2CC2)c1 ZINC001039053224 1344736320 /nfs/dbraw/zinc/73/63/20/1344736320.db2.gz GHQRVVFESBHTEV-QFIPXVFZSA-N 1 2 344.458 3.420 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nccc2occc21 ZINC001039409223 1345053298 /nfs/dbraw/zinc/05/32/98/1345053298.db2.gz GLOPBJDTQAVCRZ-KGLIPLIRSA-N 1 2 345.830 3.259 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nccc2occc21 ZINC001039409223 1345053299 /nfs/dbraw/zinc/05/32/99/1345053299.db2.gz GLOPBJDTQAVCRZ-KGLIPLIRSA-N 1 2 345.830 3.259 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001039476510 1345091363 /nfs/dbraw/zinc/09/13/63/1345091363.db2.gz WRHIOJCMNMCXPX-MCZKYTFGSA-N 1 2 334.891 3.096 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001039476510 1345091366 /nfs/dbraw/zinc/09/13/66/1345091366.db2.gz WRHIOJCMNMCXPX-MCZKYTFGSA-N 1 2 334.891 3.096 20 30 EGEDLO Cc1cocc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001039834735 1345203607 /nfs/dbraw/zinc/20/36/07/1345203607.db2.gz QBCIARXQNNRRSP-KDURUIRLSA-N 1 2 349.434 3.339 20 30 EGEDLO Cc1cocc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001039834735 1345203610 /nfs/dbraw/zinc/20/36/10/1345203610.db2.gz QBCIARXQNNRRSP-KDURUIRLSA-N 1 2 349.434 3.339 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C1CCCCC1 ZINC001079365262 1357233838 /nfs/dbraw/zinc/23/38/38/1357233838.db2.gz MPQWKSRODOKLDB-AUUYWEPGSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C1CCCCC1 ZINC001079365262 1357233841 /nfs/dbraw/zinc/23/38/41/1357233841.db2.gz MPQWKSRODOKLDB-AUUYWEPGSA-N 1 2 343.446 3.214 20 30 EGEDLO CC(C)c1cc(N[C@H]2CCN(C(=O)[C@@H](C)C#N)[C@H]2C)nc(C(C)C)[nH+]1 ZINC001040074800 1345324047 /nfs/dbraw/zinc/32/40/47/1345324047.db2.gz SGWLACBDEKUVKV-KKUMJFAQSA-N 1 2 343.475 3.284 20 30 EGEDLO C=CCOc1ccccc1C(=O)N(C)C1C[NH+](Cc2ccccc2)C1 ZINC001043117536 1346142795 /nfs/dbraw/zinc/14/27/95/1346142795.db2.gz NZEHZGYBODVDCM-UHFFFAOYSA-N 1 2 336.435 3.208 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](Cc3cccc(OCCC)c3)C2)C1 ZINC001043814813 1346213223 /nfs/dbraw/zinc/21/32/23/1346213223.db2.gz RKZRQFWPBJTKAV-UHFFFAOYSA-N 1 2 342.483 3.474 20 30 EGEDLO C=C(C)CC[NH+]1CC(N(C)C(=O)c2cnc(-c3ccoc3)s2)C1 ZINC001044016861 1346233888 /nfs/dbraw/zinc/23/38/88/1346233888.db2.gz BCUQDXGTUUMDFQ-UHFFFAOYSA-N 1 2 331.441 3.126 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)c2cccs2)CC1 ZINC001045349847 1346569287 /nfs/dbraw/zinc/56/92/87/1346569287.db2.gz RDJWFNRBMJWGFI-UHFFFAOYSA-N 1 2 343.290 3.241 20 30 EGEDLO C=C1CCC(C(=O)NC2(C)CC[NH+](Cc3ncc(C)cn3)CC2)CC1 ZINC001045545602 1346625903 /nfs/dbraw/zinc/62/59/03/1346625903.db2.gz GWLQUPDCXAQFDJ-UHFFFAOYSA-N 1 2 342.487 3.002 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC001046326564 1346935840 /nfs/dbraw/zinc/93/58/40/1346935840.db2.gz RANPITDMFHWMMD-AOIWGVFYSA-N 1 2 348.874 3.240 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC001046326564 1346935842 /nfs/dbraw/zinc/93/58/42/1346935842.db2.gz RANPITDMFHWMMD-AOIWGVFYSA-N 1 2 348.874 3.240 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001046417071 1346968567 /nfs/dbraw/zinc/96/85/67/1346968567.db2.gz IIEZXOQGFBFSQS-ZFWWWQNUSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001046417071 1346968566 /nfs/dbraw/zinc/96/85/66/1346968566.db2.gz IIEZXOQGFBFSQS-ZFWWWQNUSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2nc(Cl)sc2C)C1 ZINC001046475790 1346987939 /nfs/dbraw/zinc/98/79/39/1346987939.db2.gz LDAQBESFUHFUTQ-ZDUSSCGKSA-N 1 2 334.272 3.052 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2nc(Cl)sc2C)C1 ZINC001046475790 1346987941 /nfs/dbraw/zinc/98/79/41/1346987941.db2.gz LDAQBESFUHFUTQ-ZDUSSCGKSA-N 1 2 334.272 3.052 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)C2CCC(F)CC2)C1 ZINC001046597681 1347032692 /nfs/dbraw/zinc/03/26/92/1347032692.db2.gz KRHKIWXRQCSQEZ-PIMMBPRGSA-N 1 2 347.272 3.004 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)C2CCC(F)CC2)C1 ZINC001046597681 1347032693 /nfs/dbraw/zinc/03/26/93/1347032693.db2.gz KRHKIWXRQCSQEZ-PIMMBPRGSA-N 1 2 347.272 3.004 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(OC)cc2Cl)C1 ZINC001046706334 1347068456 /nfs/dbraw/zinc/06/84/56/1347068456.db2.gz IUNIAZQRLNVERV-MRXNPFEDSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(OC)cc2Cl)C1 ZINC001046706334 1347068457 /nfs/dbraw/zinc/06/84/57/1347068457.db2.gz IUNIAZQRLNVERV-MRXNPFEDSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc3cccnc3c2)C1 ZINC001046707430 1347069221 /nfs/dbraw/zinc/06/92/21/1347069221.db2.gz VYEPQOVFMXBXMF-GOSISDBHSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3cccnc3c2)C1 ZINC001046707430 1347069224 /nfs/dbraw/zinc/06/92/24/1347069224.db2.gz VYEPQOVFMXBXMF-GOSISDBHSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(N(C)CC)cc2)C1 ZINC001046870142 1347140409 /nfs/dbraw/zinc/14/04/09/1347140409.db2.gz IOXJWPYKTHFHOH-GOSISDBHSA-N 1 2 335.879 3.089 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(N(C)CC)cc2)C1 ZINC001046870142 1347140412 /nfs/dbraw/zinc/14/04/12/1347140412.db2.gz IOXJWPYKTHFHOH-GOSISDBHSA-N 1 2 335.879 3.089 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)C2CCCCC2)C1 ZINC001046902856 1347147019 /nfs/dbraw/zinc/14/70/19/1347147019.db2.gz VWLWAIRLJNPEET-CQSZACIVSA-N 1 2 334.838 3.393 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2CCCCC2)C1 ZINC001046902856 1347147020 /nfs/dbraw/zinc/14/70/20/1347147020.db2.gz VWLWAIRLJNPEET-CQSZACIVSA-N 1 2 334.838 3.393 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001046925234 1347154262 /nfs/dbraw/zinc/15/42/62/1347154262.db2.gz HMQSWWZOVBYIOW-BYNSBNAKSA-N 1 2 346.849 3.249 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001046925234 1347154263 /nfs/dbraw/zinc/15/42/63/1347154263.db2.gz HMQSWWZOVBYIOW-BYNSBNAKSA-N 1 2 346.849 3.249 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cscc2C)C1 ZINC001046929892 1347155519 /nfs/dbraw/zinc/15/55/19/1347155519.db2.gz VBMROCWWOFLTPN-GFCCVEGCSA-N 1 2 348.846 3.496 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cscc2C)C1 ZINC001046929892 1347155521 /nfs/dbraw/zinc/15/55/21/1347155521.db2.gz VBMROCWWOFLTPN-GFCCVEGCSA-N 1 2 348.846 3.496 20 30 EGEDLO CC[C@H](C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001049346180 1347799778 /nfs/dbraw/zinc/79/97/78/1347799778.db2.gz XOCSGTQTJGZMGM-ZOCIIQOWSA-N 1 2 343.446 3.309 20 30 EGEDLO CC[C@H](C)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001049346180 1347799779 /nfs/dbraw/zinc/79/97/79/1347799779.db2.gz XOCSGTQTJGZMGM-ZOCIIQOWSA-N 1 2 343.446 3.309 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1c(C)noc1C1CC1 ZINC001049597930 1347929948 /nfs/dbraw/zinc/92/99/48/1347929948.db2.gz HMOSVUOHSWIABZ-CABCVRRESA-N 1 2 349.862 3.292 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1c(C)noc1C1CC1 ZINC001049597930 1347929951 /nfs/dbraw/zinc/92/99/51/1347929951.db2.gz HMOSVUOHSWIABZ-CABCVRRESA-N 1 2 349.862 3.292 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1nccs1 ZINC001049692617 1347974793 /nfs/dbraw/zinc/97/47/93/1347974793.db2.gz HULLCQOYEBBTIJ-HDMKZQKVSA-N 1 2 333.501 3.311 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1nccs1 ZINC001049692617 1347974794 /nfs/dbraw/zinc/97/47/94/1347974794.db2.gz HULLCQOYEBBTIJ-HDMKZQKVSA-N 1 2 333.501 3.311 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cscn1 ZINC001049699625 1347979177 /nfs/dbraw/zinc/97/91/77/1347979177.db2.gz KRNLSRWCVPXPPB-JFIYKMOQSA-N 1 2 333.501 3.311 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1cscn1 ZINC001049699625 1347979180 /nfs/dbraw/zinc/97/91/80/1347979180.db2.gz KRNLSRWCVPXPPB-JFIYKMOQSA-N 1 2 333.501 3.311 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1oc(C2CC2)nc1C ZINC001049783610 1348020186 /nfs/dbraw/zinc/02/01/86/1348020186.db2.gz UQNOHUFDVCSWSJ-CABCVRRESA-N 1 2 349.862 3.292 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1oc(C2CC2)nc1C ZINC001049783610 1348020190 /nfs/dbraw/zinc/02/01/90/1348020190.db2.gz UQNOHUFDVCSWSJ-CABCVRRESA-N 1 2 349.862 3.292 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cnc(CC)s1 ZINC001049926420 1348116690 /nfs/dbraw/zinc/11/66/90/1348116690.db2.gz PGFRSWYZODRYIF-CHWSQXEVSA-N 1 2 339.892 3.137 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cnc(CC)s1 ZINC001049926420 1348116693 /nfs/dbraw/zinc/11/66/93/1348116693.db2.gz PGFRSWYZODRYIF-CHWSQXEVSA-N 1 2 339.892 3.137 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(F)s1 ZINC001049926896 1348118095 /nfs/dbraw/zinc/11/80/95/1348118095.db2.gz SJHKOCJGZDRTOR-RYUDHWBXSA-N 1 2 328.840 3.319 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(F)s1 ZINC001049926896 1348118096 /nfs/dbraw/zinc/11/80/96/1348118096.db2.gz SJHKOCJGZDRTOR-RYUDHWBXSA-N 1 2 328.840 3.319 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(CCCC)cc1 ZINC001051012414 1348383395 /nfs/dbraw/zinc/38/33/95/1348383395.db2.gz VHHLBNLYWYTTOY-LJQANCHMSA-N 1 2 330.472 3.036 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(CCCC)cc1 ZINC001051012414 1348383398 /nfs/dbraw/zinc/38/33/98/1348383398.db2.gz VHHLBNLYWYTTOY-LJQANCHMSA-N 1 2 330.472 3.036 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1c(CC)oc2ccccc21 ZINC001051256824 1348410392 /nfs/dbraw/zinc/41/03/92/1348410392.db2.gz BDJNEIJDGKNUHH-HNNXBMFYSA-N 1 2 342.439 3.002 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c(CC)oc2ccccc21 ZINC001051256824 1348410394 /nfs/dbraw/zinc/41/03/94/1348410394.db2.gz BDJNEIJDGKNUHH-HNNXBMFYSA-N 1 2 342.439 3.002 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc3cscc3s1)CCO2 ZINC001053345696 1349009209 /nfs/dbraw/zinc/00/92/09/1349009209.db2.gz YIFMATNIEDPXQA-UHFFFAOYSA-N 1 2 348.493 3.066 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(CC(C)C)s1)O2 ZINC001053611103 1349076392 /nfs/dbraw/zinc/07/63/92/1349076392.db2.gz JRUYYWWIGWTNCI-OAHLLOKOSA-N 1 2 348.512 3.096 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1csc3ccccc13)O2 ZINC001053634096 1349082113 /nfs/dbraw/zinc/08/21/13/1349082113.db2.gz JVBPBMXQPYFNRE-AWEZNQCLSA-N 1 2 342.464 3.051 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[C@H](C3CCC3)CC1)CO2 ZINC001053834761 1349113848 /nfs/dbraw/zinc/11/38/48/1349113848.db2.gz VQMHOPNLJUPIFB-FHWLQOOXSA-N 1 2 346.515 3.129 20 30 EGEDLO C=C(C)C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cnc(C)s1 ZINC001054035396 1349132104 /nfs/dbraw/zinc/13/21/04/1349132104.db2.gz LQUVWBSNWNEKKV-QGZVFWFLSA-N 1 2 341.480 3.184 20 30 EGEDLO C=C(C)C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cnc(C)s1 ZINC001054035396 1349132105 /nfs/dbraw/zinc/13/21/05/1349132105.db2.gz LQUVWBSNWNEKKV-QGZVFWFLSA-N 1 2 341.480 3.184 20 30 EGEDLO C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1occ2c1CCC2 ZINC001054048218 1349138377 /nfs/dbraw/zinc/13/83/77/1349138377.db2.gz VYWNTEOODSZSNM-GOSISDBHSA-N 1 2 336.435 3.111 20 30 EGEDLO C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1occ2c1CCC2 ZINC001054048218 1349138381 /nfs/dbraw/zinc/13/83/81/1349138381.db2.gz VYWNTEOODSZSNM-GOSISDBHSA-N 1 2 336.435 3.111 20 30 EGEDLO C=C(C)CC[N@@H+]1Cc2ccc(CNC(=O)c3[nH]nc(C)c3C)cc2C1 ZINC001054259744 1349256227 /nfs/dbraw/zinc/25/62/27/1349256227.db2.gz QELZNLLQKQXJFP-UHFFFAOYSA-N 1 2 338.455 3.238 20 30 EGEDLO C=C(C)CC[N@H+]1Cc2ccc(CNC(=O)c3[nH]nc(C)c3C)cc2C1 ZINC001054259744 1349256228 /nfs/dbraw/zinc/25/62/28/1349256228.db2.gz QELZNLLQKQXJFP-UHFFFAOYSA-N 1 2 338.455 3.238 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc4cc(F)ccc4o3)cc2C1 ZINC001054284081 1349285841 /nfs/dbraw/zinc/28/58/41/1349285841.db2.gz DCLKNKLCJQMWOP-UHFFFAOYSA-N 1 2 348.377 3.451 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc4cc(F)ccc4o3)cc2C1 ZINC001054284081 1349285843 /nfs/dbraw/zinc/28/58/43/1349285843.db2.gz DCLKNKLCJQMWOP-UHFFFAOYSA-N 1 2 348.377 3.451 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc(N(C)CC)cc3)cc2C1 ZINC001054292933 1349299030 /nfs/dbraw/zinc/29/90/30/1349299030.db2.gz CMXVQYHPQUKFAB-UHFFFAOYSA-N 1 2 347.462 3.022 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc(N(C)CC)cc3)cc2C1 ZINC001054292933 1349299034 /nfs/dbraw/zinc/29/90/34/1349299034.db2.gz CMXVQYHPQUKFAB-UHFFFAOYSA-N 1 2 347.462 3.022 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC001080128334 1357494972 /nfs/dbraw/zinc/49/49/72/1357494972.db2.gz BPJYFVXVZONJPZ-XWIAVFTESA-N 1 2 332.875 3.369 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC001080128334 1357494976 /nfs/dbraw/zinc/49/49/76/1357494976.db2.gz BPJYFVXVZONJPZ-XWIAVFTESA-N 1 2 332.875 3.369 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001057225707 1350002137 /nfs/dbraw/zinc/00/21/37/1350002137.db2.gz XNBVOFCCXNEDKR-FQEVSTJZSA-N 1 2 342.487 3.303 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCN(c3nc(C)[nH+]c(C)c3C)C2)CC1 ZINC001058228368 1350229688 /nfs/dbraw/zinc/22/96/88/1350229688.db2.gz DGDBHGZSARXMCK-GOSISDBHSA-N 1 2 342.487 3.233 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CC[C@H](Nc3cc[nH+]c(C)n3)[C@@H]2C1 ZINC001060541468 1350960398 /nfs/dbraw/zinc/96/03/98/1350960398.db2.gz PJOCKSQWWXZVJG-ZNMIVQPWSA-N 1 2 348.878 3.213 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2CC[C@H](Nc3cc[nH+]c(C)n3)[C@@H]2C1 ZINC001060551632 1350970587 /nfs/dbraw/zinc/97/05/87/1350970587.db2.gz ZJOOUFFWOBGOJF-XHSDSOJGSA-N 1 2 328.460 3.036 20 30 EGEDLO Cc1cc(N[C@H](C)C2CCN(C(=O)[C@H](C)C#N)CC2)nc(C(C)C)[nH+]1 ZINC001061827848 1351374361 /nfs/dbraw/zinc/37/43/61/1351374361.db2.gz WYJZWJQKWVMZGG-UKRRQHHQSA-N 1 2 343.475 3.107 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nc(C)[nH+]c(C)c1C ZINC001062019675 1351427091 /nfs/dbraw/zinc/42/70/91/1351427091.db2.gz DERHDAISXJPGOR-FUHIMQAGSA-N 1 2 342.487 3.184 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(CC)[nH+]c(C)n1 ZINC001062022625 1351427469 /nfs/dbraw/zinc/42/74/69/1351427469.db2.gz YLZBFKRWAQBKLA-FUHIMQAGSA-N 1 2 342.487 3.129 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@](C)(CNc2cc[nH+]c(C)n2)C1 ZINC001065454696 1352798829 /nfs/dbraw/zinc/79/88/29/1352798829.db2.gz OIUIUBOVWLQRFT-KRWDZBQOSA-N 1 2 336.867 3.214 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H](C)[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001065878643 1352905837 /nfs/dbraw/zinc/90/58/37/1352905837.db2.gz GQXFXYAJAYZDBE-SMDDNHRTSA-N 1 2 336.867 3.070 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C)cc1)C[C@H](C)O2 ZINC001071235251 1354519087 /nfs/dbraw/zinc/51/90/87/1354519087.db2.gz BIGYLGIVWXVFCJ-QFBILLFUSA-N 1 2 348.874 3.053 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C)cc1)C[C@H](C)O2 ZINC001071235251 1354519089 /nfs/dbraw/zinc/51/90/89/1354519089.db2.gz BIGYLGIVWXVFCJ-QFBILLFUSA-N 1 2 348.874 3.053 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)c2ccoc2)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001071350579 1354619733 /nfs/dbraw/zinc/61/97/33/1354619733.db2.gz XFZMRGLVYNMRMP-DNVCBOLYSA-N 1 2 340.398 3.053 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)c2ccoc2)C[N@H+]1CC#Cc1ccc(F)cc1 ZINC001071350579 1354619739 /nfs/dbraw/zinc/61/97/39/1354619739.db2.gz XFZMRGLVYNMRMP-DNVCBOLYSA-N 1 2 340.398 3.053 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)C(C)=C2CCC2)CC[C@@H]1C ZINC001071501677 1354730836 /nfs/dbraw/zinc/73/08/36/1354730836.db2.gz SOXMQHPZBDRQFM-SWLSCSKDSA-N 1 2 341.293 3.365 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)C(C)=C2CCC2)CC[C@@H]1C ZINC001071501677 1354730839 /nfs/dbraw/zinc/73/08/39/1354730839.db2.gz SOXMQHPZBDRQFM-SWLSCSKDSA-N 1 2 341.293 3.365 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2c(F)cccc2OC)CC[C@H]1C ZINC001071528004 1354747860 /nfs/dbraw/zinc/74/78/60/1354747860.db2.gz MRYNHCQAOPVBEM-OLZOCXBDSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2c(F)cccc2OC)CC[C@H]1C ZINC001071528004 1354747863 /nfs/dbraw/zinc/74/78/63/1354747863.db2.gz MRYNHCQAOPVBEM-OLZOCXBDSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)cc2F)CC[C@@H]1C ZINC001071647735 1354825553 /nfs/dbraw/zinc/82/55/53/1354825553.db2.gz JIYXCSNGSJTZJN-STQMWFEESA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc(OC)cc2F)CC[C@@H]1C ZINC001071647735 1354825554 /nfs/dbraw/zinc/82/55/54/1354825554.db2.gz JIYXCSNGSJTZJN-STQMWFEESA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccnc(C3CC3)c2)CC[C@H]1C ZINC001071652906 1354828274 /nfs/dbraw/zinc/82/82/74/1354828274.db2.gz QGNUPGSAPNFZQQ-CJNGLKHVSA-N 1 2 333.863 3.294 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccnc(C3CC3)c2)CC[C@H]1C ZINC001071652906 1354828278 /nfs/dbraw/zinc/82/82/78/1354828278.db2.gz QGNUPGSAPNFZQQ-CJNGLKHVSA-N 1 2 333.863 3.294 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc(Cl)cn2C)CC[C@@H]1C ZINC001071665213 1354836912 /nfs/dbraw/zinc/83/69/12/1354836912.db2.gz BSJZBVAXLIBCIN-WCQYABFASA-N 1 2 330.259 3.014 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc(Cl)cn2C)CC[C@@H]1C ZINC001071665213 1354836915 /nfs/dbraw/zinc/83/69/15/1354836915.db2.gz BSJZBVAXLIBCIN-WCQYABFASA-N 1 2 330.259 3.014 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2cc(F)ccc2F)CC[C@H]1C ZINC001071776571 1354924304 /nfs/dbraw/zinc/92/43/04/1354924304.db2.gz VOKCANVCXCVTSG-DOMZBBRYSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2cc(F)ccc2F)CC[C@H]1C ZINC001071776571 1354924308 /nfs/dbraw/zinc/92/43/08/1354924308.db2.gz VOKCANVCXCVTSG-DOMZBBRYSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3ncc(C)s3)C2)C1 ZINC001071807445 1354951791 /nfs/dbraw/zinc/95/17/91/1354951791.db2.gz SDODNIGNTXJULQ-UKRRQHHQSA-N 1 2 333.501 3.277 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3ncc(C)s3)C2)C1 ZINC001071807445 1354951794 /nfs/dbraw/zinc/95/17/94/1354951794.db2.gz SDODNIGNTXJULQ-UKRRQHHQSA-N 1 2 333.501 3.277 20 30 EGEDLO C#CCOc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(=C)Cl)C2)cc1 ZINC001071868272 1354993884 /nfs/dbraw/zinc/99/38/84/1354993884.db2.gz ILXOUTVZEDPXBD-NVXWUHKLSA-N 1 2 346.858 3.034 20 30 EGEDLO C#CCOc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(=C)Cl)C2)cc1 ZINC001071868272 1354993891 /nfs/dbraw/zinc/99/38/91/1354993891.db2.gz ILXOUTVZEDPXBD-NVXWUHKLSA-N 1 2 346.858 3.034 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc(C3CC3)cn2)CC[C@H]1C ZINC001072037072 1355094098 /nfs/dbraw/zinc/09/40/98/1355094098.db2.gz JFOGQPPMOGCSCK-CJNGLKHVSA-N 1 2 333.863 3.294 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C3CC3)cn2)CC[C@H]1C ZINC001072037072 1355094102 /nfs/dbraw/zinc/09/41/02/1355094102.db2.gz JFOGQPPMOGCSCK-CJNGLKHVSA-N 1 2 333.863 3.294 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2(c3ccccc3)CC2)CC[C@@H]1C ZINC001072040789 1355097376 /nfs/dbraw/zinc/09/73/76/1355097376.db2.gz NMFDZEBYCYTGSE-RDJZCZTQSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2(c3ccccc3)CC2)CC[C@@H]1C ZINC001072040789 1355097378 /nfs/dbraw/zinc/09/73/78/1355097378.db2.gz NMFDZEBYCYTGSE-RDJZCZTQSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc(-c3ccoc3)n[nH]2)CC[C@H]1C ZINC001072071886 1355112955 /nfs/dbraw/zinc/11/29/55/1355112955.db2.gz BKIWJPBUJXUSCL-TZMCWYRMSA-N 1 2 348.834 3.005 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc(-c3ccoc3)n[nH]2)CC[C@H]1C ZINC001072071886 1355112958 /nfs/dbraw/zinc/11/29/58/1355112958.db2.gz BKIWJPBUJXUSCL-TZMCWYRMSA-N 1 2 348.834 3.005 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)CCC3CCC3)C2)C1 ZINC001072595037 1355349965 /nfs/dbraw/zinc/34/99/65/1355349965.db2.gz CEBSTDNFHJMUEC-UHFFFAOYSA-N 1 2 341.293 3.010 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)CCC3CCC3)C2)C1 ZINC001072595037 1355349970 /nfs/dbraw/zinc/34/99/70/1355349970.db2.gz CEBSTDNFHJMUEC-UHFFFAOYSA-N 1 2 341.293 3.010 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC3(C2)CC[N@@H+](Cc2csc(CC)n2)C3)C1 ZINC001072966943 1355528394 /nfs/dbraw/zinc/52/83/94/1355528394.db2.gz ODUNBFZHMVBJEF-UHFFFAOYSA-N 1 2 345.512 3.096 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC3(C2)CC[N@H+](Cc2csc(CC)n2)C3)C1 ZINC001072966943 1355528398 /nfs/dbraw/zinc/52/83/98/1355528398.db2.gz ODUNBFZHMVBJEF-UHFFFAOYSA-N 1 2 345.512 3.096 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001073906002 1355950770 /nfs/dbraw/zinc/95/07/70/1355950770.db2.gz QHZUVBCSSIMTDZ-CVEARBPZSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001073906002 1355950774 /nfs/dbraw/zinc/95/07/74/1355950774.db2.gz QHZUVBCSSIMTDZ-CVEARBPZSA-N 1 2 342.911 3.162 20 30 EGEDLO CC(C)=CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001073937185 1355975495 /nfs/dbraw/zinc/97/54/95/1355975495.db2.gz KYWUZJXAWGEQDN-LJQANCHMSA-N 1 2 343.446 3.476 20 30 EGEDLO CC(C)=CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC001073937185 1355975500 /nfs/dbraw/zinc/97/55/00/1355975500.db2.gz KYWUZJXAWGEQDN-LJQANCHMSA-N 1 2 343.446 3.476 20 30 EGEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ccsc1 ZINC001096772606 1362697375 /nfs/dbraw/zinc/69/73/75/1362697375.db2.gz NVRZDFNZNFMGHH-QRVBRYPASA-N 1 2 336.460 3.135 20 30 EGEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ccsc1 ZINC001096772606 1362697378 /nfs/dbraw/zinc/69/73/78/1362697378.db2.gz NVRZDFNZNFMGHH-QRVBRYPASA-N 1 2 336.460 3.135 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C34CCC(CC3)C4(C)C)C[C@@H]21 ZINC001074351840 1356178557 /nfs/dbraw/zinc/17/85/57/1356178557.db2.gz UXHFPCJSVDLALK-KQNFGGRRSA-N 1 2 346.515 3.081 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C34CCC(CC3)C4(C)C)C[C@@H]21 ZINC001074351840 1356178558 /nfs/dbraw/zinc/17/85/58/1356178558.db2.gz UXHFPCJSVDLALK-KQNFGGRRSA-N 1 2 346.515 3.081 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CC3CCC(C)(C)CC3)C[C@@H]21 ZINC001074421491 1356198328 /nfs/dbraw/zinc/19/83/28/1356198328.db2.gz MRTAWZBDNSXVJQ-OALUTQOASA-N 1 2 348.531 3.471 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CC3CCC(C)(C)CC3)C[C@@H]21 ZINC001074421491 1356198330 /nfs/dbraw/zinc/19/83/30/1356198330.db2.gz MRTAWZBDNSXVJQ-OALUTQOASA-N 1 2 348.531 3.471 20 30 EGEDLO N#Cc1ccccc1C1(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC001183295657 1387293285 /nfs/dbraw/zinc/29/32/85/1387293285.db2.gz XOEDQQWPSXNYCY-UHFFFAOYSA-N 1 2 342.402 3.473 20 30 EGEDLO Cc1coc(C)c1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084320109 1358190653 /nfs/dbraw/zinc/19/06/53/1358190653.db2.gz UJVVJQPAEWYOHD-WOJBJXKFSA-N 1 2 348.446 3.094 20 30 EGEDLO Cc1coc(C)c1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084320109 1358190656 /nfs/dbraw/zinc/19/06/56/1358190656.db2.gz UJVVJQPAEWYOHD-WOJBJXKFSA-N 1 2 348.446 3.094 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3(c4ccc(F)cc4)CC3)[C@@H]2C1 ZINC001084389853 1358205659 /nfs/dbraw/zinc/20/56/59/1358205659.db2.gz UMKJGLOPVYYJAT-RHSMWYFYSA-N 1 2 348.849 3.143 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(c4ccc(F)cc4)CC3)[C@@H]2C1 ZINC001084389853 1358205661 /nfs/dbraw/zinc/20/56/61/1358205661.db2.gz UMKJGLOPVYYJAT-RHSMWYFYSA-N 1 2 348.849 3.143 20 30 EGEDLO C[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21)C(C)(C)C ZINC001084453649 1358217960 /nfs/dbraw/zinc/21/79/60/1358217960.db2.gz VYDVEWFMUPFFLH-KFKAGJAMSA-N 1 2 339.483 3.273 20 30 EGEDLO C[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21)C(C)(C)C ZINC001084453649 1358217962 /nfs/dbraw/zinc/21/79/62/1358217962.db2.gz VYDVEWFMUPFFLH-KFKAGJAMSA-N 1 2 339.483 3.273 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(Cl)n3)C[C@H]21 ZINC001084630615 1358260742 /nfs/dbraw/zinc/26/07/42/1358260742.db2.gz NAYNXIWAKMXAJP-IDHHARJASA-N 1 2 347.890 3.370 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(Cl)n3)C[C@H]21 ZINC001084630615 1358260748 /nfs/dbraw/zinc/26/07/48/1358260748.db2.gz NAYNXIWAKMXAJP-IDHHARJASA-N 1 2 347.890 3.370 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(Cl)nc4)C[C@H]32)C1 ZINC001084645124 1358267093 /nfs/dbraw/zinc/26/70/93/1358267093.db2.gz FEZSEXRYLPRQRA-HZPDHXFCSA-N 1 2 345.874 3.124 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(Cl)nc4)C[C@H]32)C1 ZINC001084645124 1358267095 /nfs/dbraw/zinc/26/70/95/1358267095.db2.gz FEZSEXRYLPRQRA-HZPDHXFCSA-N 1 2 345.874 3.124 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3OC(C)C)[C@@H]2C1 ZINC001084788679 1358309395 /nfs/dbraw/zinc/30/93/95/1358309395.db2.gz TUBZRFDCKXHTIE-NVXWUHKLSA-N 1 2 348.874 3.373 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3OC(C)C)[C@@H]2C1 ZINC001084788679 1358309397 /nfs/dbraw/zinc/30/93/97/1358309397.db2.gz TUBZRFDCKXHTIE-NVXWUHKLSA-N 1 2 348.874 3.373 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1)C(=O)C1CCC1 ZINC001085449994 1358503967 /nfs/dbraw/zinc/50/39/67/1358503967.db2.gz IPJWCVLZFXPUTD-SFHVURJKSA-N 1 2 330.859 3.024 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1)C(=O)C1CCC1 ZINC001085449994 1358503971 /nfs/dbraw/zinc/50/39/71/1358503971.db2.gz IPJWCVLZFXPUTD-SFHVURJKSA-N 1 2 330.859 3.024 20 30 EGEDLO CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)cn1 ZINC001183747998 1387341240 /nfs/dbraw/zinc/34/12/40/1387341240.db2.gz MJNSWJZYDQKAGA-KRWDZBQOSA-N 1 2 334.423 3.096 20 30 EGEDLO CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)cn1 ZINC001183747998 1387341247 /nfs/dbraw/zinc/34/12/47/1387341247.db2.gz MJNSWJZYDQKAGA-KRWDZBQOSA-N 1 2 334.423 3.096 20 30 EGEDLO Cc1csc(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)c1 ZINC001085585515 1358614614 /nfs/dbraw/zinc/61/46/14/1358614614.db2.gz BZJJWHNZTVGZLL-QGZVFWFLSA-N 1 2 339.464 3.275 20 30 EGEDLO Cc1csc(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)c1 ZINC001085585515 1358614617 /nfs/dbraw/zinc/61/46/17/1358614617.db2.gz BZJJWHNZTVGZLL-QGZVFWFLSA-N 1 2 339.464 3.275 20 30 EGEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(Cl)sc1Cl ZINC001085640061 1358654149 /nfs/dbraw/zinc/65/41/49/1358654149.db2.gz AWPQBOAOTCKMMZ-JTQLQIEISA-N 1 2 331.268 3.225 20 30 EGEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(Cl)sc1Cl ZINC001085640061 1358654151 /nfs/dbraw/zinc/65/41/51/1358654151.db2.gz AWPQBOAOTCKMMZ-JTQLQIEISA-N 1 2 331.268 3.225 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccsn2)C1 ZINC001086594717 1359158929 /nfs/dbraw/zinc/15/89/29/1359158929.db2.gz PGYGIRSKNRTARM-GOEBONIOSA-N 1 2 347.871 3.093 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccsn2)C1 ZINC001086594717 1359158931 /nfs/dbraw/zinc/15/89/31/1359158931.db2.gz PGYGIRSKNRTARM-GOEBONIOSA-N 1 2 347.871 3.093 20 30 EGEDLO COc1cc(F)c(C(=O)/C=C/c2ccc[nH+]c2N(C)C)cc1OC ZINC001323546922 1387385078 /nfs/dbraw/zinc/38/50/78/1387385078.db2.gz ZASKTQHQGNRVSL-BQYQJAHWSA-N 1 2 330.359 3.200 20 30 EGEDLO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccc(C)s2)C1 ZINC001087420364 1359457190 /nfs/dbraw/zinc/45/71/90/1359457190.db2.gz YPDSFXIEXOLKGR-QZTJIDSGSA-N 1 2 338.476 3.278 20 30 EGEDLO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccc(C)s2)C1 ZINC001087420364 1359457192 /nfs/dbraw/zinc/45/71/92/1359457192.db2.gz YPDSFXIEXOLKGR-QZTJIDSGSA-N 1 2 338.476 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2scnc2CC)[C@H]1CC ZINC001087594252 1359547685 /nfs/dbraw/zinc/54/76/85/1359547685.db2.gz UIFYREGSMVCIQK-QWHCGFSZSA-N 1 2 327.881 3.041 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2scnc2CC)[C@H]1CC ZINC001087594252 1359547689 /nfs/dbraw/zinc/54/76/89/1359547689.db2.gz UIFYREGSMVCIQK-QWHCGFSZSA-N 1 2 327.881 3.041 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+](C/C(Cl)=C/Cl)CC[C@@H]3C2)C1 ZINC001088098349 1359755853 /nfs/dbraw/zinc/75/58/53/1359755853.db2.gz FPIMGFRWTXIPNA-WZCIPHSXSA-N 1 2 343.298 3.442 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@H+](C/C(Cl)=C/Cl)CC[C@@H]3C2)C1 ZINC001088098349 1359755857 /nfs/dbraw/zinc/75/58/57/1359755857.db2.gz FPIMGFRWTXIPNA-WZCIPHSXSA-N 1 2 343.298 3.442 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCCCC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001088359073 1359842495 /nfs/dbraw/zinc/84/24/95/1359842495.db2.gz QMQOZGRDAMPUSH-AWEZNQCLSA-N 1 2 336.505 3.001 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2cccs2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088453376 1359917802 /nfs/dbraw/zinc/91/78/02/1359917802.db2.gz JWXKGVWXSSCJCL-RISCZKNCSA-N 1 2 331.466 3.074 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2cccs2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088453376 1359917805 /nfs/dbraw/zinc/91/78/05/1359917805.db2.gz JWXKGVWXSSCJCL-RISCZKNCSA-N 1 2 331.466 3.074 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3cc(OC)ccc32)[C@H]1C ZINC001088608258 1359990103 /nfs/dbraw/zinc/99/01/03/1359990103.db2.gz PUWJNKZSGIYJON-BVGQSLNGSA-N 1 2 348.874 3.057 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3cc(OC)ccc32)[C@H]1C ZINC001088608258 1359990108 /nfs/dbraw/zinc/99/01/08/1359990108.db2.gz PUWJNKZSGIYJON-BVGQSLNGSA-N 1 2 348.874 3.057 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3csc(C)n3)[C@@H]2C)CC1 ZINC001088835520 1360070952 /nfs/dbraw/zinc/07/09/52/1360070952.db2.gz AGSPFFXDJORJHS-DYVFJYSZSA-N 1 2 333.501 3.277 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3csc(C)n3)[C@@H]2C)CC1 ZINC001088835520 1360070955 /nfs/dbraw/zinc/07/09/55/1360070955.db2.gz AGSPFFXDJORJHS-DYVFJYSZSA-N 1 2 333.501 3.277 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(F)ccc(C)c2F)[C@H]1C ZINC001088836605 1360071825 /nfs/dbraw/zinc/07/18/25/1360071825.db2.gz KURUHEVMGKWHDZ-YPMHNXCESA-N 1 2 328.790 3.218 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(F)ccc(C)c2F)[C@H]1C ZINC001088836605 1360071828 /nfs/dbraw/zinc/07/18/28/1360071828.db2.gz KURUHEVMGKWHDZ-YPMHNXCESA-N 1 2 328.790 3.218 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(F)cc(Cl)c2)[C@H]1C ZINC001088877786 1360084377 /nfs/dbraw/zinc/08/43/77/1360084377.db2.gz JYSZKENLWNNJPJ-YGRLFVJLSA-N 1 2 331.218 3.424 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(F)cc(Cl)c2)[C@H]1C ZINC001088877786 1360084381 /nfs/dbraw/zinc/08/43/81/1360084381.db2.gz JYSZKENLWNNJPJ-YGRLFVJLSA-N 1 2 331.218 3.424 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(F)ccc2Cl)[C@H]1C ZINC001088878195 1360085866 /nfs/dbraw/zinc/08/58/66/1360085866.db2.gz HLSLKUGOLPJKQD-YGRLFVJLSA-N 1 2 331.218 3.424 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(F)ccc2Cl)[C@H]1C ZINC001088878195 1360085869 /nfs/dbraw/zinc/08/58/69/1360085869.db2.gz HLSLKUGOLPJKQD-YGRLFVJLSA-N 1 2 331.218 3.424 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn([C@@H](C)CC)c2C)[C@H]1C ZINC001088969213 1360119655 /nfs/dbraw/zinc/11/96/55/1360119655.db2.gz MNMDLAGGWLWNHY-BJJXKVORSA-N 1 2 338.883 3.108 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn([C@@H](C)CC)c2C)[C@H]1C ZINC001088969213 1360119657 /nfs/dbraw/zinc/11/96/57/1360119657.db2.gz MNMDLAGGWLWNHY-BJJXKVORSA-N 1 2 338.883 3.108 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089128617 1360189943 /nfs/dbraw/zinc/18/99/43/1360189943.db2.gz YCZACKOUOMBWLF-KDOFPFPSSA-N 1 2 342.487 3.069 20 30 EGEDLO Cc1cc(N2C[C@@H](NC(=O)C#CC(C)C)CC[C@H]2C)nc(C(C)C)[nH+]1 ZINC001089134423 1360193904 /nfs/dbraw/zinc/19/39/04/1360193904.db2.gz BLNODAPMZRKEBU-SJORKVTESA-N 1 2 342.487 3.041 20 30 EGEDLO Cc1cc(N[C@H](C)C[C@@H](C)NC(=O)C#CC(C)(C)C)nc(C2CC2)[nH+]1 ZINC001089312464 1360331525 /nfs/dbraw/zinc/33/15/25/1360331525.db2.gz KCICBQAQJBMBCX-ZIAGYGMSSA-N 1 2 342.487 3.407 20 30 EGEDLO C=CCCOCCCCC(=O)N[C@@H](C)C[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001089405611 1360404216 /nfs/dbraw/zinc/40/42/16/1360404216.db2.gz RRXVHCCDFHCAID-CVEARBPZSA-N 1 2 348.491 3.243 20 30 EGEDLO C=CCOCC(=O)N[C@@H](C)CCCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001090046850 1360800924 /nfs/dbraw/zinc/80/09/24/1360800924.db2.gz JSDUOCYTNGTRIR-HNNXBMFYSA-N 1 2 348.491 3.198 20 30 EGEDLO C=CCC1(C(=O)N2C[C@@H](C)[C@](C)(CNc3cc[nH+]c(C)n3)C2)CCC1 ZINC001090257607 1360875999 /nfs/dbraw/zinc/87/59/99/1360875999.db2.gz ASYJTEPXODUIOA-DNVCBOLYSA-N 1 2 342.487 3.428 20 30 EGEDLO Cc1cc(NCCCCCCN(C)C(=O)[C@@H](C)C#N)nc(C2CC2)[nH+]1 ZINC001091733222 1361198566 /nfs/dbraw/zinc/19/85/66/1361198566.db2.gz DJVBKIDOMYYFIH-AWEZNQCLSA-N 1 2 343.475 3.253 20 30 EGEDLO C#CCC1(C(=O)N(C)CCCCCCNc2cc[nH+]c(C)n2)CCC1 ZINC001091743485 1361205561 /nfs/dbraw/zinc/20/55/61/1361205561.db2.gz GRODNVUDVUYJPB-UHFFFAOYSA-N 1 2 342.487 3.409 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1CC ZINC001091817638 1361227100 /nfs/dbraw/zinc/22/71/00/1361227100.db2.gz YKWHCHKTRLVZQH-JKSUJKDBSA-N 1 2 342.487 3.348 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1CC ZINC001091817900 1361227140 /nfs/dbraw/zinc/22/71/40/1361227140.db2.gz AWHLJMXIKZFHFN-DOPJRALCSA-N 1 2 344.503 3.478 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)CC(C)(C)C1 ZINC001092089296 1361298724 /nfs/dbraw/zinc/29/87/24/1361298724.db2.gz PWIRXQNVFSQNIJ-INIZCTEOSA-N 1 2 330.476 3.253 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C1CCCCCCC1)c1nccn12 ZINC001092379977 1361371464 /nfs/dbraw/zinc/37/14/64/1361371464.db2.gz MZJHIGXZRBEQKN-KRWDZBQOSA-N 1 2 342.487 3.002 20 30 EGEDLO C=CCC(CC=C)C(=O)NCC[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC001092552810 1361410661 /nfs/dbraw/zinc/41/06/61/1361410661.db2.gz JRFPIWFHVIVKIK-CRAIPNDOSA-N 1 2 342.487 3.132 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001092904895 1361483550 /nfs/dbraw/zinc/48/35/50/1361483550.db2.gz QJCQCETXYOGTES-BDXSIMOUSA-N 1 2 342.487 3.230 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3C[C@]3(CC)C(C)C)CC2)C1 ZINC001093587293 1361649574 /nfs/dbraw/zinc/64/95/74/1361649574.db2.gz QOHQCPHMMVBPBE-TZIWHRDSSA-N 1 2 348.531 3.327 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3C[C@@]3(CC)C(C)C)CC2)C1 ZINC001093587290 1361649616 /nfs/dbraw/zinc/64/96/16/1361649616.db2.gz QOHQCPHMMVBPBE-CTNGQTDRSA-N 1 2 348.531 3.327 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C3CCC(C4CC4)CC3)CC2)C1 ZINC001093594970 1361652190 /nfs/dbraw/zinc/65/21/90/1361652190.db2.gz DASIETBXDLVTMB-UHFFFAOYSA-N 1 2 346.515 3.081 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C3CCC(C)(C)CC3)CC2)C1 ZINC001093600074 1361654499 /nfs/dbraw/zinc/65/44/99/1361654499.db2.gz NDLLRXLDQKSETC-UHFFFAOYSA-N 1 2 348.531 3.471 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095074262 1362004337 /nfs/dbraw/zinc/00/43/37/1362004337.db2.gz NOVRCLFVJNEEHH-GOEBONIOSA-N 1 2 328.460 3.278 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccsc2)C3)s1 ZINC001095150131 1362032738 /nfs/dbraw/zinc/03/27/38/1362032738.db2.gz NWGRGWBLFLFNRS-KCXAZCMYSA-N 1 2 343.477 3.217 20 30 EGEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccsc2)C3)s1 ZINC001095150131 1362032741 /nfs/dbraw/zinc/03/27/41/1362032741.db2.gz NWGRGWBLFLFNRS-KCXAZCMYSA-N 1 2 343.477 3.217 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095373440 1362118680 /nfs/dbraw/zinc/11/86/80/1362118680.db2.gz LFDYOVPYAFPWQA-QGZVFWFLSA-N 1 2 344.503 3.337 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C(C)C)nc1)C2 ZINC001095532706 1362163258 /nfs/dbraw/zinc/16/32/58/1362163258.db2.gz MJGPLFYAJIDNCX-PVAVHDDUSA-N 1 2 333.863 3.293 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C(C)C)nc1)C2 ZINC001095532706 1362163260 /nfs/dbraw/zinc/16/32/60/1362163260.db2.gz MJGPLFYAJIDNCX-PVAVHDDUSA-N 1 2 333.863 3.293 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)nc1C1CC1)C2 ZINC001095828659 1362247844 /nfs/dbraw/zinc/24/78/44/1362247844.db2.gz AHKAKUNZLYBSED-PVAVHDDUSA-N 1 2 345.874 3.355 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)nc1C1CC1)C2 ZINC001095828659 1362247848 /nfs/dbraw/zinc/24/78/48/1362247848.db2.gz AHKAKUNZLYBSED-PVAVHDDUSA-N 1 2 345.874 3.355 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(OC)c(C)c1)C2 ZINC001096171308 1362413024 /nfs/dbraw/zinc/41/30/24/1362413024.db2.gz IXXZLICIEIAKCN-PMPSAXMXSA-N 1 2 334.847 3.091 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(OC)c(C)c1)C2 ZINC001096171308 1362413026 /nfs/dbraw/zinc/41/30/26/1362413026.db2.gz IXXZLICIEIAKCN-PMPSAXMXSA-N 1 2 334.847 3.091 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096222882 1362439615 /nfs/dbraw/zinc/43/96/15/1362439615.db2.gz AQXSXYXYDFFNAB-OAHLLOKOSA-N 1 2 330.476 3.206 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(c3ccccc3F)CC1)C2 ZINC001096271517 1362452065 /nfs/dbraw/zinc/45/20/65/1362452065.db2.gz WGVFYRFNIMHHHI-COXVUDFISA-N 1 2 348.849 3.331 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(c3ccccc3F)CC1)C2 ZINC001096271517 1362452068 /nfs/dbraw/zinc/45/20/68/1362452068.db2.gz WGVFYRFNIMHHHI-COXVUDFISA-N 1 2 348.849 3.331 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3ncsc3c1)C2 ZINC001096483537 1362531519 /nfs/dbraw/zinc/53/15/19/1362531519.db2.gz SPYDFAGBUXQTMF-SNPRPXQTSA-N 1 2 347.871 3.384 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3ncsc3c1)C2 ZINC001096483537 1362531526 /nfs/dbraw/zinc/53/15/26/1362531526.db2.gz SPYDFAGBUXQTMF-SNPRPXQTSA-N 1 2 347.871 3.384 20 30 EGEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3cc(F)ccc3s1)C2 ZINC001096526610 1362554434 /nfs/dbraw/zinc/55/44/34/1362554434.db2.gz BLSRDJKRDSKVED-ILXRZTDVSA-N 1 2 328.412 3.009 20 30 EGEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3cc(F)ccc3s1)C2 ZINC001096526610 1362554437 /nfs/dbraw/zinc/55/44/37/1362554437.db2.gz BLSRDJKRDSKVED-ILXRZTDVSA-N 1 2 328.412 3.009 20 30 EGEDLO CC(C)c1cc(N[C@H](CNC(=O)[C@@H](C)C#N)C2CC2)nc(C(C)C)[nH+]1 ZINC001096598399 1362592619 /nfs/dbraw/zinc/59/26/19/1362592619.db2.gz NBEMHUOIWNSNSC-XJKSGUPXSA-N 1 2 343.475 3.190 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)n1c(C)ccc1C)C2 ZINC001096606170 1362595225 /nfs/dbraw/zinc/59/52/25/1362595225.db2.gz HTQFNDDYUFPARI-NCOADZHNSA-N 1 2 335.879 3.140 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)n1c(C)ccc1C)C2 ZINC001096606170 1362595227 /nfs/dbraw/zinc/59/52/27/1362595227.db2.gz HTQFNDDYUFPARI-NCOADZHNSA-N 1 2 335.879 3.140 20 30 EGEDLO C=CC[C@H](C(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001096939198 1362784035 /nfs/dbraw/zinc/78/40/35/1362784035.db2.gz VVPIIGRSKHANNN-ROUUACIJSA-N 1 2 336.439 3.158 20 30 EGEDLO Cc1coc(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001097030616 1362815914 /nfs/dbraw/zinc/81/59/14/1362815914.db2.gz QTEBUOHMMCLGST-QRVBRYPASA-N 1 2 349.434 3.303 20 30 EGEDLO Cc1coc(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001097030616 1362815920 /nfs/dbraw/zinc/81/59/20/1362815920.db2.gz QTEBUOHMMCLGST-QRVBRYPASA-N 1 2 349.434 3.303 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2C[C@H](Nc3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001097036697 1362818596 /nfs/dbraw/zinc/81/85/96/1362818596.db2.gz CRTUMFRKCBIWDM-WKILWMFISA-N 1 2 328.460 3.371 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001097074077 1362834364 /nfs/dbraw/zinc/83/43/64/1362834364.db2.gz LOBVVSBBUQCDFM-SHTZXODSSA-N 1 2 328.460 3.079 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097087363 1362837224 /nfs/dbraw/zinc/83/72/24/1362837224.db2.gz GOCSYVGZNNNRKA-QAQDUYKDSA-N 1 2 340.471 3.305 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(OC)cc1C)C2 ZINC001097135054 1362859156 /nfs/dbraw/zinc/85/91/56/1362859156.db2.gz PXNKMHOUKWJGKW-NXHRZFHOSA-N 1 2 348.874 3.020 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(OC)cc1C)C2 ZINC001097135054 1362859158 /nfs/dbraw/zinc/85/91/58/1362859158.db2.gz PXNKMHOUKWJGKW-NXHRZFHOSA-N 1 2 348.874 3.020 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001097334831 1362938795 /nfs/dbraw/zinc/93/87/95/1362938795.db2.gz FTIRABSTVFXNOA-MRXNPFEDSA-N 1 2 344.503 3.453 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097337816 1362940174 /nfs/dbraw/zinc/94/01/74/1362940174.db2.gz RSNIIBAOVBSBDE-INIZCTEOSA-N 1 2 342.487 3.351 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@H]1CCCCN1c1nc(C)[nH+]c(C)c1C ZINC001097440794 1362991235 /nfs/dbraw/zinc/99/12/35/1362991235.db2.gz ZZIHVFQAIMHZOG-QGZVFWFLSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CCCCN1c1nc(C)[nH+]c(C)c1C ZINC001097458654 1363002533 /nfs/dbraw/zinc/00/25/33/1363002533.db2.gz NBTPBTLKKDLZJM-YLJYHZDGSA-N 1 2 344.503 3.479 20 30 EGEDLO C#CCCCC(=O)N1CCCC[C@@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001097486133 1363015706 /nfs/dbraw/zinc/01/57/06/1363015706.db2.gz XSMKGSXGIMIHHL-QGZVFWFLSA-N 1 2 340.471 3.259 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCCC1(F)F)C2 ZINC001097580743 1363059663 /nfs/dbraw/zinc/05/96/63/1363059663.db2.gz JTTRGPVFZABKMK-SYQHCUMBSA-N 1 2 332.822 3.286 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCCC1(F)F)C2 ZINC001097580743 1363059665 /nfs/dbraw/zinc/05/96/65/1363059665.db2.gz JTTRGPVFZABKMK-SYQHCUMBSA-N 1 2 332.822 3.286 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3ccccc3C1)C2 ZINC001097929855 1363169910 /nfs/dbraw/zinc/16/99/10/1363169910.db2.gz WOCWPDIBEHNDND-MANSERQUSA-N 1 2 344.886 3.266 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3ccccc3C1)C2 ZINC001097929855 1363169911 /nfs/dbraw/zinc/16/99/11/1363169911.db2.gz WOCWPDIBEHNDND-MANSERQUSA-N 1 2 344.886 3.266 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1[C@@H]3Cc4ccccc4[C@@H]31)C2 ZINC001097990861 1363190869 /nfs/dbraw/zinc/19/08/69/1363190869.db2.gz PIOGECLMMIEGHB-WUICEFIQSA-N 1 2 342.870 3.046 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1[C@@H]3Cc4ccccc4[C@@H]31)C2 ZINC001097990861 1363190871 /nfs/dbraw/zinc/19/08/71/1363190871.db2.gz PIOGECLMMIEGHB-WUICEFIQSA-N 1 2 342.870 3.046 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1Cl)C2 ZINC001098262767 1363277800 /nfs/dbraw/zinc/27/78/00/1363277800.db2.gz GMMWMIWYRKPHLJ-DFBGVHRSSA-N 1 2 325.239 3.428 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1Cl)C2 ZINC001098262767 1363277804 /nfs/dbraw/zinc/27/78/04/1363277804.db2.gz GMMWMIWYRKPHLJ-DFBGVHRSSA-N 1 2 325.239 3.428 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@@H](N(C)c3cc[nH+]c(C)n3)C2)CCCC1 ZINC001098695118 1363437315 /nfs/dbraw/zinc/43/73/15/1363437315.db2.gz BPLVJFNVTMYLSO-QGZVFWFLSA-N 1 2 342.487 3.349 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001098704683 1363441782 /nfs/dbraw/zinc/44/17/82/1363441782.db2.gz LIIZKLXIYJXXSZ-QGZVFWFLSA-N 1 2 342.487 3.446 20 30 EGEDLO CC#CCCCC(=O)N1CCC[C@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001098724653 1363450252 /nfs/dbraw/zinc/45/02/52/1363450252.db2.gz SALPJOFDEHUEJS-SFHVURJKSA-N 1 2 342.487 3.023 20 30 EGEDLO CC(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC001098906292 1363514326 /nfs/dbraw/zinc/51/43/26/1363514326.db2.gz WFBBMFIZSNMQLZ-GOSISDBHSA-N 1 2 345.462 3.460 20 30 EGEDLO CC(C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1cc(F)ccc1C#N ZINC001098906292 1363514331 /nfs/dbraw/zinc/51/43/31/1363514331.db2.gz WFBBMFIZSNMQLZ-GOSISDBHSA-N 1 2 345.462 3.460 20 30 EGEDLO C#CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nccs1 ZINC001099050027 1363595190 /nfs/dbraw/zinc/59/51/90/1363595190.db2.gz ZXINDLSLZBGZIY-HNNXBMFYSA-N 1 2 333.501 3.053 20 30 EGEDLO C#CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nccs1 ZINC001099050027 1363595193 /nfs/dbraw/zinc/59/51/93/1363595193.db2.gz ZXINDLSLZBGZIY-HNNXBMFYSA-N 1 2 333.501 3.053 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(COC)CCC1 ZINC001099139784 1363649357 /nfs/dbraw/zinc/64/93/57/1363649357.db2.gz HNPIQDUCCHYQFB-OAHLLOKOSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(COC)CCC1 ZINC001099139784 1363649358 /nfs/dbraw/zinc/64/93/58/1363649358.db2.gz HNPIQDUCCHYQFB-OAHLLOKOSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](OC)C1CCC1 ZINC001099159378 1363663491 /nfs/dbraw/zinc/66/34/91/1363663491.db2.gz RIMMBYYUFVSESL-CVEARBPZSA-N 1 2 342.911 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](OC)C1CCC1 ZINC001099159378 1363663493 /nfs/dbraw/zinc/66/34/93/1363663493.db2.gz RIMMBYYUFVSESL-CVEARBPZSA-N 1 2 342.911 3.161 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nccs1 ZINC001099166519 1363666227 /nfs/dbraw/zinc/66/62/27/1363666227.db2.gz WRLJSYUDERIWMB-AWEZNQCLSA-N 1 2 335.517 3.462 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nccs1 ZINC001099166519 1363666231 /nfs/dbraw/zinc/66/62/31/1363666231.db2.gz WRLJSYUDERIWMB-AWEZNQCLSA-N 1 2 335.517 3.462 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nccn1CC ZINC001099166690 1363666929 /nfs/dbraw/zinc/66/69/29/1363666929.db2.gz YYOLSDHFFSHBTQ-MRXNPFEDSA-N 1 2 346.519 3.222 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nccn1CC ZINC001099166690 1363666935 /nfs/dbraw/zinc/66/69/35/1363666935.db2.gz YYOLSDHFFSHBTQ-MRXNPFEDSA-N 1 2 346.519 3.222 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ccn(C)n1 ZINC001099189682 1363682694 /nfs/dbraw/zinc/68/26/94/1363682694.db2.gz WCVKTXJFXRZELP-WMZOPIPTSA-N 1 2 346.519 3.129 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ccn(C)n1 ZINC001099189682 1363682698 /nfs/dbraw/zinc/68/26/98/1363682698.db2.gz WCVKTXJFXRZELP-WMZOPIPTSA-N 1 2 346.519 3.129 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ncc(C)o1 ZINC001099199985 1363688327 /nfs/dbraw/zinc/68/83/27/1363688327.db2.gz UDEDIIWMNGSBKC-INIZCTEOSA-N 1 2 333.476 3.446 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ncc(C)o1 ZINC001099199985 1363688331 /nfs/dbraw/zinc/68/83/31/1363688331.db2.gz UDEDIIWMNGSBKC-INIZCTEOSA-N 1 2 333.476 3.446 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nonc1C ZINC001099214878 1363695519 /nfs/dbraw/zinc/69/55/19/1363695519.db2.gz MZGDQJGXJADOIN-BEFAXECRSA-N 1 2 348.491 3.087 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nonc1C ZINC001099214878 1363695522 /nfs/dbraw/zinc/69/55/22/1363695522.db2.gz MZGDQJGXJADOIN-BEFAXECRSA-N 1 2 348.491 3.087 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(CF)CCC1 ZINC001099245167 1363710949 /nfs/dbraw/zinc/71/09/49/1363710949.db2.gz HHBJUCLQFHQGTC-AWEZNQCLSA-N 1 2 330.875 3.486 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(CF)CCC1 ZINC001099245167 1363710953 /nfs/dbraw/zinc/71/09/53/1363710953.db2.gz HHBJUCLQFHQGTC-AWEZNQCLSA-N 1 2 330.875 3.486 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCCCCCCC)[C@@H](O)C1 ZINC001100087984 1364013978 /nfs/dbraw/zinc/01/39/78/1364013978.db2.gz UMYSEYVPRRVOLV-IRXDYDNUSA-N 1 2 344.927 3.431 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCCCCCCC)[C@@H](O)C1 ZINC001100087984 1364013981 /nfs/dbraw/zinc/01/39/81/1364013981.db2.gz UMYSEYVPRRVOLV-IRXDYDNUSA-N 1 2 344.927 3.431 20 30 EGEDLO C=C[C@@H](CC(=O)NCCN(CC)c1cc[nH+]c(C)n1)c1ccccc1 ZINC001100543284 1364153696 /nfs/dbraw/zinc/15/36/96/1364153696.db2.gz ZIFNDXQIJKTVHJ-KRWDZBQOSA-N 1 2 338.455 3.087 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)CCCC[C@@H](C)CC)c1nccn12 ZINC001101630724 1364662411 /nfs/dbraw/zinc/66/24/11/1364662411.db2.gz MALWTKHUCSHPQZ-DLBZAZTESA-N 1 2 344.503 3.248 20 30 EGEDLO C#CCCCCCC(=O)N(C)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001101901763 1364768677 /nfs/dbraw/zinc/76/86/77/1364768677.db2.gz QHQXFEYYWRUMRN-UHFFFAOYSA-N 1 2 328.460 3.116 20 30 EGEDLO C#CCCCCCC(=O)N1CCC([C@H](C)Nc2cc[nH+]c(C)n2)CC1 ZINC001102067543 1364833184 /nfs/dbraw/zinc/83/31/84/1364833184.db2.gz YGTGVCDCLYJLJX-INIZCTEOSA-N 1 2 342.487 3.408 20 30 EGEDLO C#CCCCC(=O)NCCCN(c1cc(C)[nH+]c(C(C)C)n1)C(C)C ZINC001102098610 1364854852 /nfs/dbraw/zinc/85/48/52/1364854852.db2.gz SSRVWCGGTRQJIF-UHFFFAOYSA-N 1 2 344.503 3.433 20 30 EGEDLO C#CCCCCC(=O)NC[C@H](Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC001102168870 1364908657 /nfs/dbraw/zinc/90/86/57/1364908657.db2.gz DNPDCVDASYMSSY-SFHVURJKSA-N 1 2 336.439 3.248 20 30 EGEDLO C#CCCCCCC(=O)N(CCC)[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102255367 1364968819 /nfs/dbraw/zinc/96/88/19/1364968819.db2.gz JATIQKNIJIJSIP-SFHVURJKSA-N 1 2 342.487 3.186 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCC[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102385738 1365035114 /nfs/dbraw/zinc/03/51/14/1365035114.db2.gz NGDAHHOVTAECJL-YLJYHZDGSA-N 1 2 344.503 3.337 20 30 EGEDLO C=CCCC(=O)N(CC)[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102782120 1365215744 /nfs/dbraw/zinc/21/57/44/1365215744.db2.gz QTOMSKALPVEPEE-INIZCTEOSA-N 1 2 328.460 3.056 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102890062 1365276604 /nfs/dbraw/zinc/27/66/04/1365276604.db2.gz CLNHOGKDGNROKS-QGZVFWFLSA-N 1 2 344.503 3.479 20 30 EGEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC001324707924 1387745930 /nfs/dbraw/zinc/74/59/30/1387745930.db2.gz RACIPBRXZYCFNG-CSKARUKUSA-N 1 2 335.407 3.273 20 30 EGEDLO Cc1cc(NCC2(NC(=O)C#CC(C)C)CCCC2)nc(C2CC2)[nH+]1 ZINC001103425994 1365552600 /nfs/dbraw/zinc/55/26/00/1365552600.db2.gz AAHZPLYNHBPLOM-UHFFFAOYSA-N 1 2 340.471 3.163 20 30 EGEDLO Cc1cc(N[C@H]2CC[C@H](NC(=O)C#CC3CC3)CC2)nc(C(C)C)[nH+]1 ZINC001103638806 1365694676 /nfs/dbraw/zinc/69/46/76/1365694676.db2.gz ANEXKAAVQVWVPO-QAQDUYKDSA-N 1 2 340.471 3.161 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104097986 1365910335 /nfs/dbraw/zinc/91/03/35/1365910335.db2.gz KNZMAMZPYGLSPT-CQSZACIVSA-N 1 2 330.476 3.184 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104158994 1365930649 /nfs/dbraw/zinc/93/06/49/1365930649.db2.gz GWPOGPJDWMDBFF-OAHLLOKOSA-N 1 2 342.487 3.022 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001104177198 1365938344 /nfs/dbraw/zinc/93/83/44/1365938344.db2.gz OOURHONGDQUIAM-HNNXBMFYSA-N 1 2 342.487 3.410 20 30 EGEDLO C=CCC(CC=C)C(=O)NCC1(Nc2cc[nH+]c(C)n2)CCCC1 ZINC001104409748 1366011113 /nfs/dbraw/zinc/01/11/13/1366011113.db2.gz YUFNRESQDBXWHT-UHFFFAOYSA-N 1 2 328.460 3.394 20 30 EGEDLO C=CCOCC(=O)N(C)[C@H](C)CNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001104496663 1366048962 /nfs/dbraw/zinc/04/89/62/1366048962.db2.gz YMTYQLGVOGVLJY-OAHLLOKOSA-N 1 2 348.491 3.185 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H](CNc1cc[nH+]c(C)n1)C1CCCCC1 ZINC001105022350 1366281297 /nfs/dbraw/zinc/28/12/97/1366281297.db2.gz VYABKGPVAXHSJH-MRXNPFEDSA-N 1 2 330.476 3.474 20 30 EGEDLO C=CCO[C@@H](C)C(=O)NC[C@@H](Nc1cc(C)[nH+]c(C(C)C)n1)C(C)C ZINC001105194141 1366365300 /nfs/dbraw/zinc/36/53/00/1366365300.db2.gz SDJOPSLAAVCEOH-JKSUJKDBSA-N 1 2 348.491 3.052 20 30 EGEDLO C=CCCOCCCCC(=O)NC[C@@H](Nc1cc[nH+]c(C)n1)C(C)C ZINC001105228933 1366379344 /nfs/dbraw/zinc/37/93/44/1366379344.db2.gz WMFBQXIYPSHNRQ-QGZVFWFLSA-N 1 2 348.491 3.101 20 30 EGEDLO C=C[C@@H](CC(=O)N(C)CCN(C)c1cc[nH+]c(C)n1)c1ccccc1 ZINC001105409112 1366451903 /nfs/dbraw/zinc/45/19/03/1366451903.db2.gz UQSCSBHDYNODPP-KRWDZBQOSA-N 1 2 338.455 3.040 20 30 EGEDLO C=CCCC1(C(=O)N(C)CCN(C)c2nc(C)[nH+]c(C)c2C)CC1 ZINC001105546060 1366522490 /nfs/dbraw/zinc/52/24/90/1366522490.db2.gz WQAJCVNDLGVPLY-UHFFFAOYSA-N 1 2 330.476 3.043 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@H](CC)C(C)(C)C)CC2)C1 ZINC001105731948 1366588663 /nfs/dbraw/zinc/58/86/63/1366588663.db2.gz YGSQVNCYBDBMID-INIZCTEOSA-N 1 2 336.520 3.327 20 30 EGEDLO C#CCCCCC(=O)N[C@H](C)CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001106277746 1366641154 /nfs/dbraw/zinc/64/11/54/1366641154.db2.gz KZTIGTYPEHXNQO-OAHLLOKOSA-N 1 2 330.476 3.409 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC2(C)C)C1 ZINC001324926672 1387827248 /nfs/dbraw/zinc/82/72/48/1387827248.db2.gz LCSFVPJZYUOPKU-CJNGLKHVSA-N 1 2 343.309 3.159 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC2(C)C)C1 ZINC001324926672 1387827251 /nfs/dbraw/zinc/82/72/51/1387827251.db2.gz LCSFVPJZYUOPKU-CJNGLKHVSA-N 1 2 343.309 3.159 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)c2cccc(Cc3ccc(F)cc3)c2)CC1 ZINC001185929939 1387828679 /nfs/dbraw/zinc/82/86/79/1387828679.db2.gz XNUGTLSMUVVGGY-UHFFFAOYSA-N 1 2 338.426 3.360 20 30 EGEDLO C#CCC1(C(=O)N[C@H](C)CCNc2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001106476057 1366706958 /nfs/dbraw/zinc/70/69/58/1366706958.db2.gz TVSBLHXMRASSQH-CQSZACIVSA-N 1 2 340.471 3.163 20 30 EGEDLO C=C1CC(C)(C(=O)N(CC)CCNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001106940838 1366840988 /nfs/dbraw/zinc/84/09/88/1366840988.db2.gz MDXRXCNKAUAPFB-UHFFFAOYSA-N 1 2 342.487 3.281 20 30 EGEDLO Cc1cc(NC/C=C\CNC(=O)C#CC(C)(C)C)nc(C(C)C)[nH+]1 ZINC001107158319 1366882735 /nfs/dbraw/zinc/88/27/35/1366882735.db2.gz NDQHGDXJGBMWNW-FPLPWBNLSA-N 1 2 328.460 3.042 20 30 EGEDLO C#CCCCCCC(=O)NC/C=C/CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107449053 1366967741 /nfs/dbraw/zinc/96/77/41/1366967741.db2.gz NWSAKEWUHMWLJF-CMDGGOBGSA-N 1 2 340.471 3.330 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC/C=C\CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107461422 1366972195 /nfs/dbraw/zinc/97/21/95/1366972195.db2.gz DMRPOFKIUWMYKG-ZPIQOJFGSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC/C=C\CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107464929 1366974426 /nfs/dbraw/zinc/97/44/26/1366974426.db2.gz ZYJVZNZKKSJARU-IDTUSYRASA-N 1 2 328.460 3.349 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001109184891 1366991700 /nfs/dbraw/zinc/99/17/00/1366991700.db2.gz KSNZKUXPBOHDBI-ZBFHGGJFSA-N 1 2 332.492 3.452 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1csnn1)CC2 ZINC001107536388 1367028177 /nfs/dbraw/zinc/02/81/77/1367028177.db2.gz LMIMGFTXHCCLLH-KBAYOESNSA-N 1 2 348.516 3.001 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1csnn1)CC2 ZINC001107536388 1367028179 /nfs/dbraw/zinc/02/81/79/1367028179.db2.gz LMIMGFTXHCCLLH-KBAYOESNSA-N 1 2 348.516 3.001 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nncs1)CC2 ZINC001107560353 1367043477 /nfs/dbraw/zinc/04/34/77/1367043477.db2.gz INGHBSWTPHKSBG-RDTXWAMCSA-N 1 2 348.516 3.001 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nncs1)CC2 ZINC001107560353 1367043486 /nfs/dbraw/zinc/04/34/86/1367043486.db2.gz INGHBSWTPHKSBG-RDTXWAMCSA-N 1 2 348.516 3.001 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)CCC3(C)CC3)[C@@H]2C1 ZINC001189635537 1367075075 /nfs/dbraw/zinc/07/50/75/1367075075.db2.gz ZQOMJOHZYKLGRE-UONOGXRCSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC3(C)CC3)[C@@H]2C1 ZINC001189635537 1367075077 /nfs/dbraw/zinc/07/50/77/1367075077.db2.gz ZQOMJOHZYKLGRE-UONOGXRCSA-N 1 2 341.293 3.008 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@H]2C[N@H+](Cc3nc(C)no3)C[C@H]21 ZINC001189906197 1367128301 /nfs/dbraw/zinc/12/83/01/1367128301.db2.gz FSFNATQTUQMFPH-DLBZAZTESA-N 1 2 348.491 3.161 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nc(C)no3)C[C@H]21 ZINC001189906197 1367128304 /nfs/dbraw/zinc/12/83/04/1367128304.db2.gz FSFNATQTUQMFPH-DLBZAZTESA-N 1 2 348.491 3.161 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2c(F)cccc2F)C1 ZINC001190005364 1367149419 /nfs/dbraw/zinc/14/94/19/1367149419.db2.gz ZVDGRCOOUMFBOU-LSDHHAIUSA-N 1 2 334.410 3.218 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2c(F)cccc2F)C1 ZINC001190005364 1367149423 /nfs/dbraw/zinc/14/94/23/1367149423.db2.gz ZVDGRCOOUMFBOU-LSDHHAIUSA-N 1 2 334.410 3.218 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](OCC)C1CCCC1)C2 ZINC001109569233 1367203770 /nfs/dbraw/zinc/20/37/70/1367203770.db2.gz AYPXCHXFVKIJGB-QZWWFDLISA-N 1 2 340.895 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](OCC)C1CCCC1)C2 ZINC001109569233 1367203776 /nfs/dbraw/zinc/20/37/76/1367203776.db2.gz AYPXCHXFVKIJGB-QZWWFDLISA-N 1 2 340.895 3.056 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1ncc(C)o1 ZINC001109604471 1367227304 /nfs/dbraw/zinc/22/73/04/1367227304.db2.gz KCAWMBHWWUDXOJ-MHORFTMASA-N 1 2 343.471 3.349 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1ncc(C)o1 ZINC001109604471 1367227309 /nfs/dbraw/zinc/22/73/09/1367227309.db2.gz KCAWMBHWWUDXOJ-MHORFTMASA-N 1 2 343.471 3.349 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(-c3ccco3)s2)C1 ZINC001108317453 1367388006 /nfs/dbraw/zinc/38/80/06/1367388006.db2.gz KLIUIXCLDQEFSU-GOSISDBHSA-N 1 2 346.452 3.015 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(-c3ccco3)s2)C1 ZINC001108317453 1367388014 /nfs/dbraw/zinc/38/80/14/1367388014.db2.gz KLIUIXCLDQEFSU-GOSISDBHSA-N 1 2 346.452 3.015 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(-c3cccs3)o2)C1 ZINC001108372292 1367420947 /nfs/dbraw/zinc/42/09/47/1367420947.db2.gz GZXVDJRGYFKYOE-SFHVURJKSA-N 1 2 346.452 3.015 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(-c3cccs3)o2)C1 ZINC001108372292 1367420948 /nfs/dbraw/zinc/42/09/48/1367420948.db2.gz GZXVDJRGYFKYOE-SFHVURJKSA-N 1 2 346.452 3.015 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2CCC(C(C)(C)C)CC2)C1 ZINC001108376266 1367423255 /nfs/dbraw/zinc/42/32/55/1367423255.db2.gz HHZLUXWELKQRDH-NGICGMGXSA-N 1 2 348.531 3.069 20 30 EGEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2CCC(C(C)(C)C)CC2)C1 ZINC001108376266 1367423256 /nfs/dbraw/zinc/42/32/56/1367423256.db2.gz HHZLUXWELKQRDH-NGICGMGXSA-N 1 2 348.531 3.069 20 30 EGEDLO C=CCCCC(=O)N[C@H](CNc1nc(C)[nH+]c2c1CCCC2)C1CC1 ZINC001109961609 1367428573 /nfs/dbraw/zinc/42/85/73/1367428573.db2.gz GVWNPKAISBPUMY-GOSISDBHSA-N 1 2 342.487 3.327 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)CCCc2ccccc2)C1 ZINC001108425223 1367448187 /nfs/dbraw/zinc/44/81/87/1367448187.db2.gz AFFOKUNHQPTNEI-WIYYLYMNSA-N 1 2 344.499 3.039 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)CCCc2ccccc2)C1 ZINC001108425223 1367448189 /nfs/dbraw/zinc/44/81/89/1367448189.db2.gz AFFOKUNHQPTNEI-WIYYLYMNSA-N 1 2 344.499 3.039 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCCCc2ccc(C)cc2)C1 ZINC001108432960 1367456337 /nfs/dbraw/zinc/45/63/37/1367456337.db2.gz UYFROGDUFZTBKH-OAQYLSRUSA-N 1 2 344.499 3.101 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCCCc2ccc(C)cc2)C1 ZINC001108432960 1367456341 /nfs/dbraw/zinc/45/63/41/1367456341.db2.gz UYFROGDUFZTBKH-OAQYLSRUSA-N 1 2 344.499 3.101 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001108656626 1367517833 /nfs/dbraw/zinc/51/78/33/1367517833.db2.gz PFXBRHKGTWPLQB-KBPBESRZSA-N 1 2 330.476 3.183 20 30 EGEDLO C#CCC1(C(=O)NCC2(Nc3cc(C)[nH+]c(C(C)C)n3)CC2)CCC1 ZINC001110250611 1367591294 /nfs/dbraw/zinc/59/12/94/1367591294.db2.gz OZWGNEVKLSFXPZ-UHFFFAOYSA-N 1 2 340.471 3.163 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001191868519 1367622472 /nfs/dbraw/zinc/62/24/72/1367622472.db2.gz VDTJCHKDEJHUBL-DNVCBOLYSA-N 1 2 343.446 3.332 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001191868519 1367622476 /nfs/dbraw/zinc/62/24/76/1367622476.db2.gz VDTJCHKDEJHUBL-DNVCBOLYSA-N 1 2 343.446 3.332 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC001191889073 1367625684 /nfs/dbraw/zinc/62/56/84/1367625684.db2.gz AJGDIWQBNBYDBA-HZPDHXFCSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC001191889073 1367625691 /nfs/dbraw/zinc/62/56/91/1367625691.db2.gz AJGDIWQBNBYDBA-HZPDHXFCSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccncc2Cl)C1 ZINC001191913589 1367638343 /nfs/dbraw/zinc/63/83/43/1367638343.db2.gz ZFOPQCONCZMQPJ-GOEBONIOSA-N 1 2 335.879 3.370 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccncc2Cl)C1 ZINC001191913589 1367638356 /nfs/dbraw/zinc/63/83/56/1367638356.db2.gz ZFOPQCONCZMQPJ-GOEBONIOSA-N 1 2 335.879 3.370 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2csc(CCC)n2)C1 ZINC001192072569 1367680348 /nfs/dbraw/zinc/68/03/48/1367680348.db2.gz IGWASZAXEDLKKV-MRXNPFEDSA-N 1 2 335.517 3.485 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2csc(CCC)n2)C1 ZINC001192072569 1367680356 /nfs/dbraw/zinc/68/03/56/1367680356.db2.gz IGWASZAXEDLKKV-MRXNPFEDSA-N 1 2 335.517 3.485 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC2(C1)CCN(c1cc[nH+]c(C)n1)CC2 ZINC001110463891 1367754586 /nfs/dbraw/zinc/75/45/86/1367754586.db2.gz YHPKIZCINYKRCZ-INIZCTEOSA-N 1 2 342.487 3.206 20 30 EGEDLO CC/C(C)=C/C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110534865 1367815002 /nfs/dbraw/zinc/81/50/02/1367815002.db2.gz BJVVPSVBNQJAEY-UEHUEVBPSA-N 1 2 341.430 3.275 20 30 EGEDLO CC/C(C)=C/C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110534865 1367815005 /nfs/dbraw/zinc/81/50/05/1367815005.db2.gz BJVVPSVBNQJAEY-UEHUEVBPSA-N 1 2 341.430 3.275 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2nc(C3CC3)no2)C1 ZINC001192578348 1367822449 /nfs/dbraw/zinc/82/24/49/1367822449.db2.gz PNTUWRPKCPEQDB-UKRRQHHQSA-N 1 2 346.475 3.143 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2nc(C3CC3)no2)C1 ZINC001192578348 1367822454 /nfs/dbraw/zinc/82/24/54/1367822454.db2.gz PNTUWRPKCPEQDB-UKRRQHHQSA-N 1 2 346.475 3.143 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([N@H+](C)CC(=C)Br)C1 ZINC001192586249 1367825683 /nfs/dbraw/zinc/82/56/83/1367825683.db2.gz KOHYQWVLUGTVGY-ZDUSSCGKSA-N 1 2 329.282 3.030 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CC(=C)Br)C1 ZINC001192586249 1367825689 /nfs/dbraw/zinc/82/56/89/1367825689.db2.gz KOHYQWVLUGTVGY-ZDUSSCGKSA-N 1 2 329.282 3.030 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)CC[C@H](C)CC)C1 ZINC001193017295 1367923590 /nfs/dbraw/zinc/92/35/90/1367923590.db2.gz LKTGYOJMGYLWDO-TZMCWYRMSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[C@H](C)CC)C1 ZINC001193017295 1367923584 /nfs/dbraw/zinc/92/35/84/1367923584.db2.gz LKTGYOJMGYLWDO-TZMCWYRMSA-N 1 2 331.298 3.254 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1ncc(C)o1 ZINC001110900646 1368074468 /nfs/dbraw/zinc/07/44/68/1368074468.db2.gz KCAWMBHWWUDXOJ-MLHJIOFPSA-N 1 2 343.471 3.349 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1ncc(C)o1 ZINC001110900646 1368074472 /nfs/dbraw/zinc/07/44/72/1368074472.db2.gz KCAWMBHWWUDXOJ-MLHJIOFPSA-N 1 2 343.471 3.349 20 30 EGEDLO CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CCC1 ZINC001110926743 1368098349 /nfs/dbraw/zinc/09/83/49/1368098349.db2.gz RQGAXENTECNQFK-QRVBRYPASA-N 1 2 337.467 3.360 20 30 EGEDLO CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CCC1 ZINC001110926743 1368098353 /nfs/dbraw/zinc/09/83/53/1368098353.db2.gz RQGAXENTECNQFK-QRVBRYPASA-N 1 2 337.467 3.360 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccc(OC)cc1)C2 ZINC001111363194 1368273114 /nfs/dbraw/zinc/27/31/14/1368273114.db2.gz CEKJBXCSNBEPTB-NXHRZFHOSA-N 1 2 348.874 3.102 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccc(OC)cc1)C2 ZINC001111363194 1368273116 /nfs/dbraw/zinc/27/31/16/1368273116.db2.gz CEKJBXCSNBEPTB-NXHRZFHOSA-N 1 2 348.874 3.102 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3nc(C)oc3C)C2)CCCC1 ZINC001194554543 1368284583 /nfs/dbraw/zinc/28/45/83/1368284583.db2.gz BKWUQJCTUHTLCE-QGZVFWFLSA-N 1 2 345.487 3.461 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3nc(C)oc3C)C2)CCCC1 ZINC001194554543 1368284587 /nfs/dbraw/zinc/28/45/87/1368284587.db2.gz BKWUQJCTUHTLCE-QGZVFWFLSA-N 1 2 345.487 3.461 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)[C@@H](C)c3ncccn3)C2)CCCC1 ZINC001194556450 1368286278 /nfs/dbraw/zinc/28/62/78/1368286278.db2.gz WHPCISQGZRISCT-IRXDYDNUSA-N 1 2 342.487 3.207 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)[C@@H](C)c3ncccn3)C2)CCCC1 ZINC001194556450 1368286284 /nfs/dbraw/zinc/28/62/84/1368286284.db2.gz WHPCISQGZRISCT-IRXDYDNUSA-N 1 2 342.487 3.207 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)[C@H](C)c3nc(C)no3)C2)CCCC1 ZINC001194567655 1368287688 /nfs/dbraw/zinc/28/76/88/1368287688.db2.gz MNQYPZLIEWCSTN-ZBFHGGJFSA-N 1 2 346.475 3.108 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)[C@H](C)c3nc(C)no3)C2)CCCC1 ZINC001194567655 1368287691 /nfs/dbraw/zinc/28/76/91/1368287691.db2.gz MNQYPZLIEWCSTN-ZBFHGGJFSA-N 1 2 346.475 3.108 20 30 EGEDLO CC(C)(C)/C=C/C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001195356739 1368427826 /nfs/dbraw/zinc/42/78/26/1368427826.db2.gz YPCNTAJTCAKNLM-VAWYXSNFSA-N 1 2 342.458 3.314 20 30 EGEDLO CC(C)(C)/C=C/C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001195356739 1368427827 /nfs/dbraw/zinc/42/78/27/1368427827.db2.gz YPCNTAJTCAKNLM-VAWYXSNFSA-N 1 2 342.458 3.314 20 30 EGEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C/C(Cl)=C/Cl)C2 ZINC001111711392 1368428752 /nfs/dbraw/zinc/42/87/52/1368428752.db2.gz RBAGMFUVMBLBGJ-SILSCELHSA-N 1 2 343.298 3.470 20 30 EGEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](C/C(Cl)=C/Cl)C2 ZINC001111711392 1368428755 /nfs/dbraw/zinc/42/87/55/1368428755.db2.gz RBAGMFUVMBLBGJ-SILSCELHSA-N 1 2 343.298 3.470 20 30 EGEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(C(C)C)no1)C2 ZINC001111859044 1368509759 /nfs/dbraw/zinc/50/97/59/1368509759.db2.gz LHEXCQWJZVOIHR-KXBFYZLASA-N 1 2 346.475 3.020 20 30 EGEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(C(C)C)no1)C2 ZINC001111859044 1368509764 /nfs/dbraw/zinc/50/97/64/1368509764.db2.gz LHEXCQWJZVOIHR-KXBFYZLASA-N 1 2 346.475 3.020 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001112001570 1368605792 /nfs/dbraw/zinc/60/57/92/1368605792.db2.gz BHZNDVFLXWVXAZ-QGZVFWFLSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001112009041 1368612433 /nfs/dbraw/zinc/61/24/33/1368612433.db2.gz SARHJWFWVDWQMS-ZWKOTPCHSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001112010887 1368614947 /nfs/dbraw/zinc/61/49/47/1368614947.db2.gz WASSRHXGHWCVJM-XLIONFOSSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001196881526 1368705621 /nfs/dbraw/zinc/70/56/21/1368705621.db2.gz SPKMJPIUOZDVTK-MRXNPFEDSA-N 1 2 343.446 3.334 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001196881526 1368705623 /nfs/dbraw/zinc/70/56/23/1368705623.db2.gz SPKMJPIUOZDVTK-MRXNPFEDSA-N 1 2 343.446 3.334 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001196880467 1368705903 /nfs/dbraw/zinc/70/59/03/1368705903.db2.gz KFLBHYSONDUZIJ-MRXNPFEDSA-N 1 2 343.446 3.334 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001196880467 1368705907 /nfs/dbraw/zinc/70/59/07/1368705907.db2.gz KFLBHYSONDUZIJ-MRXNPFEDSA-N 1 2 343.446 3.334 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001196900697 1368709929 /nfs/dbraw/zinc/70/99/29/1368709929.db2.gz HGRTWMUSGJLTEI-GOSISDBHSA-N 1 2 342.458 3.314 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001196900697 1368709930 /nfs/dbraw/zinc/70/99/30/1368709930.db2.gz HGRTWMUSGJLTEI-GOSISDBHSA-N 1 2 342.458 3.314 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001196900698 1368710237 /nfs/dbraw/zinc/71/02/37/1368710237.db2.gz HGRTWMUSGJLTEI-SFHVURJKSA-N 1 2 342.458 3.314 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001196900698 1368710239 /nfs/dbraw/zinc/71/02/39/1368710239.db2.gz HGRTWMUSGJLTEI-SFHVURJKSA-N 1 2 342.458 3.314 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001196902080 1368710890 /nfs/dbraw/zinc/71/08/90/1368710890.db2.gz WAKIPRRAMWQKHJ-QGZVFWFLSA-N 1 2 325.456 3.195 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001196902080 1368710892 /nfs/dbraw/zinc/71/08/92/1368710892.db2.gz WAKIPRRAMWQKHJ-QGZVFWFLSA-N 1 2 325.456 3.195 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@]2(CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001112219488 1368728298 /nfs/dbraw/zinc/72/82/98/1368728298.db2.gz QGZDMSAQSAZFRV-HXUWFJFHSA-N 1 2 342.487 3.206 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@]2(CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001112219741 1368728787 /nfs/dbraw/zinc/72/87/87/1368728787.db2.gz YHZQDZIRFBGQEK-FXAWDEMLSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CCCCC(=O)N1C[C@H](C)[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001112335685 1368773718 /nfs/dbraw/zinc/77/37/18/1368773718.db2.gz GKNFDTFSMWVICA-KBXCAEBGSA-N 1 2 342.487 3.279 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H](C)C1 ZINC001112502886 1368902669 /nfs/dbraw/zinc/90/26/69/1368902669.db2.gz VVPAPZCQDUPPIW-HOCLYGCPSA-N 1 2 342.487 3.348 20 30 EGEDLO C#CCCCCC(=O)N1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC001112775363 1368996228 /nfs/dbraw/zinc/99/62/28/1368996228.db2.gz RKAMTBMWFGKRHM-IBGZPJMESA-N 1 2 328.431 3.151 20 30 EGEDLO C#CCCCC(=O)N1CC[NH+](Cc2cccc(OCC(C)C)c2)CC1 ZINC001112809670 1369020754 /nfs/dbraw/zinc/02/07/54/1369020754.db2.gz NQMJVUAQLZHASU-UHFFFAOYSA-N 1 2 342.483 3.169 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC001112883077 1369066458 /nfs/dbraw/zinc/06/64/58/1369066458.db2.gz SKKUIABONCODIB-UHFFFAOYSA-N 1 2 348.437 3.420 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[NH+](CCOc2cccc(C)c2)CC1 ZINC001113239769 1369286667 /nfs/dbraw/zinc/28/66/67/1369286667.db2.gz QURLBLUURCYIKL-SFHVURJKSA-N 1 2 330.472 3.120 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001113816898 1369620616 /nfs/dbraw/zinc/62/06/16/1369620616.db2.gz ABFPSOLEUUIWPR-AWEZNQCLSA-N 1 2 330.476 3.206 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CN(c2nc(C)[nH+]c(C)c2C)CC[C@@H]1C ZINC001114039063 1369697266 /nfs/dbraw/zinc/69/72/66/1369697266.db2.gz BFWRRSSSQRVZFJ-GUYCJALGSA-N 1 2 344.503 3.335 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N[C@H](CCCC)CNc1cc[nH+]c(C)n1)OCC ZINC001114286557 1369851678 /nfs/dbraw/zinc/85/16/78/1369851678.db2.gz PXUMQDPLVOJDKP-IAGOWNOFSA-N 1 2 348.491 3.243 20 30 EGEDLO N#Cc1cccc(NC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001202786607 1369891637 /nfs/dbraw/zinc/89/16/37/1369891637.db2.gz AFCNZGFDMOYQNN-UHFFFAOYSA-N 1 2 336.395 3.034 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NC1[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@@H]12 ZINC001114336765 1369898954 /nfs/dbraw/zinc/89/89/54/1369898954.db2.gz VHECXDAUDMLPEK-ZCFDAEMWSA-N 1 2 337.678 3.131 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NC1[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@@H]12 ZINC001114336765 1369898959 /nfs/dbraw/zinc/89/89/59/1369898959.db2.gz VHECXDAUDMLPEK-ZCFDAEMWSA-N 1 2 337.678 3.131 20 30 EGEDLO C#CCCCC(=O)N1C[C@@H](CNc2cc(C)[nH+]c(C(C)C)n2)C[C@@H]1C ZINC001114685328 1370024017 /nfs/dbraw/zinc/02/40/17/1370024017.db2.gz SUOSDZQVAVUNME-DLBZAZTESA-N 1 2 342.487 3.361 20 30 EGEDLO Cc1cc(NCCC[C@H](C)NC(=O)C#CC(C)(C)C)nc(C2CC2)[nH+]1 ZINC001114924327 1370153121 /nfs/dbraw/zinc/15/31/21/1370153121.db2.gz RFZCLPOWDCTLQD-AWEZNQCLSA-N 1 2 342.487 3.409 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCC[N@@H+]2Cc1cccc(C#N)c1 ZINC001203758218 1370252336 /nfs/dbraw/zinc/25/23/36/1370252336.db2.gz ULSOSUTUQXUOMW-IRXDYDNUSA-N 1 2 327.428 3.142 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCC[N@H+]2Cc1cccc(C#N)c1 ZINC001203758218 1370252339 /nfs/dbraw/zinc/25/23/39/1370252339.db2.gz ULSOSUTUQXUOMW-IRXDYDNUSA-N 1 2 327.428 3.142 20 30 EGEDLO C#CC[NH+]1CCN(Cc2cccc(Oc3ccc(OC)cc3)c2)CC1 ZINC001203819247 1370277554 /nfs/dbraw/zinc/27/75/54/1370277554.db2.gz XEJNZHUVRXUOKR-UHFFFAOYSA-N 1 2 336.435 3.238 20 30 EGEDLO CCCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nnc(C)o3)C[C@H]21 ZINC001115163813 1370322151 /nfs/dbraw/zinc/32/21/51/1370322151.db2.gz KSDRIHQMSVSICT-MNZLEMJZSA-N 1 2 348.491 3.065 20 30 EGEDLO CCCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nnc(C)o3)C[C@H]21 ZINC001115163813 1370322155 /nfs/dbraw/zinc/32/21/55/1370322155.db2.gz KSDRIHQMSVSICT-MNZLEMJZSA-N 1 2 348.491 3.065 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(SC)cc1 ZINC001204141625 1370388917 /nfs/dbraw/zinc/38/89/17/1370388917.db2.gz VMXSUSQFTBIYLW-GOSISDBHSA-N 1 2 343.496 3.444 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(SC)cc1 ZINC001204141625 1370388929 /nfs/dbraw/zinc/38/89/29/1370388929.db2.gz VMXSUSQFTBIYLW-GOSISDBHSA-N 1 2 343.496 3.444 20 30 EGEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001204294937 1370434514 /nfs/dbraw/zinc/43/45/14/1370434514.db2.gz VXVQVIJYFUTGNV-UHFFFAOYSA-N 1 2 332.444 3.304 20 30 EGEDLO Cc1cccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c1F ZINC001204882214 1370595785 /nfs/dbraw/zinc/59/57/85/1370595785.db2.gz ZNKJXOOUPLPRID-UHFFFAOYSA-N 1 2 327.378 3.467 20 30 EGEDLO COc1ccc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)c(F)c1 ZINC001204941383 1370611429 /nfs/dbraw/zinc/61/14/29/1370611429.db2.gz KWAQGMBANFABDY-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO C#CCCCCC(=O)N(C)C[C@@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001115682348 1370665541 /nfs/dbraw/zinc/66/55/41/1370665541.db2.gz MGPPTMGSPLNJHP-MRXNPFEDSA-N 1 2 330.476 3.361 20 30 EGEDLO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001205459470 1370762934 /nfs/dbraw/zinc/76/29/34/1370762934.db2.gz USXATIMULURYJZ-UHFFFAOYSA-N 1 2 345.418 3.283 20 30 EGEDLO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001205459470 1370762935 /nfs/dbraw/zinc/76/29/35/1370762935.db2.gz USXATIMULURYJZ-UHFFFAOYSA-N 1 2 345.418 3.283 20 30 EGEDLO CCOC[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)Cc2cnn(CC)c21 ZINC001205467690 1370765265 /nfs/dbraw/zinc/76/52/65/1370765265.db2.gz WJNCUTLNJMUXFW-QGZVFWFLSA-N 1 2 342.418 3.050 20 30 EGEDLO CCOC[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)Cc2cnn(CC)c21 ZINC001205467690 1370765269 /nfs/dbraw/zinc/76/52/69/1370765269.db2.gz WJNCUTLNJMUXFW-QGZVFWFLSA-N 1 2 342.418 3.050 20 30 EGEDLO N#Cc1cc(CN2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)ccc1F ZINC001205502103 1370774458 /nfs/dbraw/zinc/77/44/58/1370774458.db2.gz DWSMOGPZZJGPKX-QGZVFWFLSA-N 1 2 337.389 3.393 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001187329393 1388094656 /nfs/dbraw/zinc/09/46/56/1388094656.db2.gz QUYJUYHHVUTEBB-MRXNPFEDSA-N 1 2 348.491 3.388 20 30 EGEDLO COc1cc(C)[nH+]c(CSCC(=O)Nc2ccc(C#N)cc2)c1 ZINC001116484026 1370922400 /nfs/dbraw/zinc/92/24/00/1370922400.db2.gz ZAGKYNGCEQPAIW-UHFFFAOYSA-N 1 2 327.409 3.142 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2F)C[C@H]1C ZINC001206912213 1371221844 /nfs/dbraw/zinc/22/18/44/1371221844.db2.gz AAAHSTXOSQORRT-CXAGYDPISA-N 1 2 336.838 3.219 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)cc2F)C[C@H]1C ZINC001206912213 1371221846 /nfs/dbraw/zinc/22/18/46/1371221846.db2.gz AAAHSTXOSQORRT-CXAGYDPISA-N 1 2 336.838 3.219 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001207093660 1371291966 /nfs/dbraw/zinc/29/19/66/1371291966.db2.gz NJMQFSGRNPUNRQ-RHSMWYFYSA-N 1 2 343.471 3.257 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001207093660 1371291970 /nfs/dbraw/zinc/29/19/70/1371291970.db2.gz NJMQFSGRNPUNRQ-RHSMWYFYSA-N 1 2 343.471 3.257 20 30 EGEDLO C=CCN(CC[N@@H+]1CCC[C@H]1c1ncccn1)C(=O)OC(C)(C)C ZINC001207204425 1371329186 /nfs/dbraw/zinc/32/91/86/1371329186.db2.gz NINSIWSDOYMSSI-HNNXBMFYSA-N 1 2 332.448 3.037 20 30 EGEDLO C=CCN(CC[N@H+]1CCC[C@H]1c1ncccn1)C(=O)OC(C)(C)C ZINC001207204425 1371329187 /nfs/dbraw/zinc/32/91/87/1371329187.db2.gz NINSIWSDOYMSSI-HNNXBMFYSA-N 1 2 332.448 3.037 20 30 EGEDLO N#Cc1cccc(C2(C(=O)N3CCC(Nc4cccc[nH+]4)CC3)CC2)c1 ZINC001119708918 1371391517 /nfs/dbraw/zinc/39/15/17/1371391517.db2.gz JJHYDQOQDMPFMW-UHFFFAOYSA-N 1 2 346.434 3.088 20 30 EGEDLO CC[C@H](CO)Nc1cc(N[C@@H](CCC#N)c2ccccc2)nc[nH+]1 ZINC001120033694 1371463733 /nfs/dbraw/zinc/46/37/33/1371463733.db2.gz QXEWUPBZPODQCJ-CVEARBPZSA-N 1 2 325.416 3.116 20 30 EGEDLO CC[C@H](CO)Nc1cc(N[C@@H](CCC#N)c2ccccc2)[nH+]cn1 ZINC001120033694 1371463737 /nfs/dbraw/zinc/46/37/37/1371463737.db2.gz QXEWUPBZPODQCJ-CVEARBPZSA-N 1 2 325.416 3.116 20 30 EGEDLO CCCCCCC[NH2+][C@@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001208083880 1371591233 /nfs/dbraw/zinc/59/12/33/1371591233.db2.gz HQUQSBMDGZHANE-CHWSQXEVSA-N 1 2 326.378 3.438 20 30 EGEDLO CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001208083880 1371591235 /nfs/dbraw/zinc/59/12/35/1371591235.db2.gz HQUQSBMDGZHANE-CHWSQXEVSA-N 1 2 326.378 3.438 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001208388908 1371748308 /nfs/dbraw/zinc/74/83/08/1371748308.db2.gz SDLWCEKZDRZYKI-OUCADQQQSA-N 1 2 341.908 3.335 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001208388908 1371748316 /nfs/dbraw/zinc/74/83/16/1371748316.db2.gz SDLWCEKZDRZYKI-OUCADQQQSA-N 1 2 341.908 3.335 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001208393891 1371751115 /nfs/dbraw/zinc/75/11/15/1371751115.db2.gz ZCVROZCPUVIQJQ-IIAWOOMASA-N 1 2 335.879 3.274 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001208393891 1371751119 /nfs/dbraw/zinc/75/11/19/1371751119.db2.gz ZCVROZCPUVIQJQ-IIAWOOMASA-N 1 2 335.879 3.274 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(Cl)n3)C[C@H]2C)CC1 ZINC001208500447 1371788819 /nfs/dbraw/zinc/78/88/19/1371788819.db2.gz OZKKKKOSKMHRME-GDBMZVCRSA-N 1 2 347.890 3.418 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3cccc(Cl)n3)C[C@H]2C)CC1 ZINC001208500447 1371788823 /nfs/dbraw/zinc/78/88/23/1371788823.db2.gz OZKKKKOSKMHRME-GDBMZVCRSA-N 1 2 347.890 3.418 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](CC=C(Cl)Cl)C[C@H]2C)CC1 ZINC001208515038 1371796227 /nfs/dbraw/zinc/79/62/27/1371796227.db2.gz BUOCZIVUTYKZQV-CHWSQXEVSA-N 1 2 331.287 3.488 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](CC=C(Cl)Cl)C[C@H]2C)CC1 ZINC001208515038 1371796230 /nfs/dbraw/zinc/79/62/30/1371796230.db2.gz BUOCZIVUTYKZQV-CHWSQXEVSA-N 1 2 331.287 3.488 20 30 EGEDLO COC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCCc1cccc(C#N)c1 ZINC001208850950 1371918199 /nfs/dbraw/zinc/91/81/99/1371918199.db2.gz PNCPLUQJKBRWMN-FQEVSTJZSA-N 1 2 334.419 3.091 20 30 EGEDLO COC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCCc1cccc(C#N)c1 ZINC001208850950 1371918200 /nfs/dbraw/zinc/91/82/00/1371918200.db2.gz PNCPLUQJKBRWMN-FQEVSTJZSA-N 1 2 334.419 3.091 20 30 EGEDLO N#Cc1ccc(CCCN2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)cc1 ZINC001208864298 1371923430 /nfs/dbraw/zinc/92/34/30/1371923430.db2.gz ORNITCRNLPKOTL-GOSISDBHSA-N 1 2 333.426 3.296 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC001209146081 1372014165 /nfs/dbraw/zinc/01/41/65/1372014165.db2.gz KJLMCGKUPRHMHT-HUUCEWRRSA-N 1 2 348.491 3.050 20 30 EGEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@H](CC(C)(C)C)C1 ZINC001121714990 1372057374 /nfs/dbraw/zinc/05/73/74/1372057374.db2.gz LLBXWDLRQRVDCL-OAHLLOKOSA-N 1 2 342.491 3.051 20 30 EGEDLO C=CCCCCCN(C)c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1CC ZINC001121803959 1372086826 /nfs/dbraw/zinc/08/68/26/1372086826.db2.gz QZNKARFSLIUEQP-QGZVFWFLSA-N 1 2 349.523 3.262 20 30 EGEDLO C=CCCCCCN(C)c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1CC ZINC001121803959 1372086832 /nfs/dbraw/zinc/08/68/32/1372086832.db2.gz QZNKARFSLIUEQP-QGZVFWFLSA-N 1 2 349.523 3.262 20 30 EGEDLO C=C(C)Cn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(CC)CCC ZINC001122540657 1372269590 /nfs/dbraw/zinc/26/95/90/1372269590.db2.gz YJSMWYXSXZYIAZ-IAGOWNOFSA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(CC)CCC ZINC001122540657 1372269591 /nfs/dbraw/zinc/26/95/91/1372269591.db2.gz YJSMWYXSXZYIAZ-IAGOWNOFSA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@H]1CC ZINC001122544675 1372270830 /nfs/dbraw/zinc/27/08/30/1372270830.db2.gz ZHPDRMCAOMPNQY-IAGOWNOFSA-N 1 2 347.507 3.015 20 30 EGEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@H]1CC ZINC001122544675 1372270835 /nfs/dbraw/zinc/27/08/35/1372270835.db2.gz ZHPDRMCAOMPNQY-IAGOWNOFSA-N 1 2 347.507 3.015 20 30 EGEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)CCC(C)C ZINC001122628648 1372286964 /nfs/dbraw/zinc/28/69/64/1372286964.db2.gz ASAZSSQPTROBJT-QGZVFWFLSA-N 1 2 349.523 3.118 20 30 EGEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)CCC(C)C ZINC001122628648 1372286967 /nfs/dbraw/zinc/28/69/67/1372286967.db2.gz ASAZSSQPTROBJT-QGZVFWFLSA-N 1 2 349.523 3.118 20 30 EGEDLO CCN(c1nnc(C2CC[NH+](CCC#N)CC2)n1CC(C)C)C(C)C ZINC001122740027 1372311167 /nfs/dbraw/zinc/31/11/67/1372311167.db2.gz NMAAKGVCXWYXSH-UHFFFAOYSA-N 1 2 346.523 3.262 20 30 EGEDLO COc1cc(Nc2c(C#N)c(CC#N)nn2-c2ccccc2)cc(C)[nH+]1 ZINC001210780325 1372425427 /nfs/dbraw/zinc/42/54/27/1372425427.db2.gz PIPIWFIAJQSNMP-UHFFFAOYSA-N 1 2 344.378 3.266 20 30 EGEDLO CCCCCCCCC(=O)N1CCC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001210805107 1372430062 /nfs/dbraw/zinc/43/00/62/1372430062.db2.gz QZNFJOKFHYHQQA-HNNXBMFYSA-N 1 2 338.521 3.369 20 30 EGEDLO C=CCCCC(=O)N[C@]12CCC[C@@H]1N(c1nc(C)[nH+]c(C)c1C)CC2 ZINC001123459938 1372477263 /nfs/dbraw/zinc/47/72/63/1372477263.db2.gz PIEZIYYXCRCAGO-PXNSSMCTSA-N 1 2 342.487 3.376 20 30 EGEDLO CC#CCCCC(=O)N1C[C@@H]2CCC[C@@H](Nc3cc[nH+]c(C)n3)[C@H]2C1 ZINC001123487262 1372487318 /nfs/dbraw/zinc/48/73/18/1372487318.db2.gz NHEBBXRYIMUIBA-OKZBNKHCSA-N 1 2 340.471 3.018 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccon3)C[C@H]2C)CCCCC1 ZINC001211235455 1372508796 /nfs/dbraw/zinc/50/87/96/1372508796.db2.gz QBURYGXKZITTPJ-NVXWUHKLSA-N 1 2 331.460 3.138 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccon3)C[C@H]2C)CCCCC1 ZINC001211235455 1372508802 /nfs/dbraw/zinc/50/88/02/1372508802.db2.gz QBURYGXKZITTPJ-NVXWUHKLSA-N 1 2 331.460 3.138 20 30 EGEDLO Fc1cc(C(F)(F)F)cc(F)c1CN1CC[NH2+]CC(F)(F)C1 ZINC001211346671 1372537245 /nfs/dbraw/zinc/53/72/45/1372537245.db2.gz JUYBRGKFAQXBSF-UHFFFAOYSA-N 1 2 330.247 3.024 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001123829482 1372601420 /nfs/dbraw/zinc/60/14/20/1372601420.db2.gz OKWXLKGUHYARRX-NVXWUHKLSA-N 1 2 328.460 3.250 20 30 EGEDLO N#Cc1c(F)c(Cl)ccc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212366183 1372695490 /nfs/dbraw/zinc/69/54/90/1372695490.db2.gz FQRCBRQYVWHAFR-UHFFFAOYSA-N 1 2 332.766 3.326 20 30 EGEDLO N#Cc1c(Nc2ccc(C[NH+]3CC(O)C3)cc2)cccc1C(F)(F)F ZINC001212670120 1372749090 /nfs/dbraw/zinc/74/90/90/1372749090.db2.gz IANPVFHKZZREQW-UHFFFAOYSA-N 1 2 347.340 3.497 20 30 EGEDLO COC(=O)c1cc(C#N)ccc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212698428 1372755379 /nfs/dbraw/zinc/75/53/79/1372755379.db2.gz SNBIWTRTONIWPY-UHFFFAOYSA-N 1 2 332.363 3.333 20 30 EGEDLO C#Cc1nc(Br)cnc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213086042 1372836893 /nfs/dbraw/zinc/83/68/93/1372836893.db2.gz DZRYNMFUQVWYMC-UHFFFAOYSA-N 1 2 340.184 3.354 20 30 EGEDLO C=CCCC1(C(=O)N[C@H](C)C2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC001126684534 1372998278 /nfs/dbraw/zinc/99/82/78/1372998278.db2.gz SMWBDLHANVVBMK-OAHLLOKOSA-N 1 2 342.487 3.253 20 30 EGEDLO C#CCCCCC(=O)N(C)C1CC(Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001126897286 1373048189 /nfs/dbraw/zinc/04/81/89/1373048189.db2.gz YOSPWCXYDRCYMP-UHFFFAOYSA-N 1 2 340.471 3.257 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)CCC3CC3)c2C1 ZINC001128277131 1373244726 /nfs/dbraw/zinc/24/47/26/1373244726.db2.gz DJIQKNDFSKTLCE-UHFFFAOYSA-N 1 2 346.519 3.476 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)CCC3CC3)c2C1 ZINC001128277131 1373244729 /nfs/dbraw/zinc/24/47/29/1373244729.db2.gz DJIQKNDFSKTLCE-UHFFFAOYSA-N 1 2 346.519 3.476 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3C[C@H]3CC)c2C1 ZINC001128504714 1373279308 /nfs/dbraw/zinc/27/93/08/1373279308.db2.gz ZXHHLMVEJZKOCK-SJLPKXTDSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3C[C@H]3CC)c2C1 ZINC001128504714 1373279312 /nfs/dbraw/zinc/27/93/12/1373279312.db2.gz ZXHHLMVEJZKOCK-SJLPKXTDSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C[C@H]3CCCC[C@H]3C)c2C1 ZINC001128612833 1373297866 /nfs/dbraw/zinc/29/78/66/1373297866.db2.gz VIEPRSJODZFXEC-IAGOWNOFSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C[C@H]3CCCC[C@H]3C)c2C1 ZINC001128612833 1373297868 /nfs/dbraw/zinc/29/78/68/1373297868.db2.gz VIEPRSJODZFXEC-IAGOWNOFSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCCCCC[N@@H+]1Cc2cnn(C3CCN(C(C)=O)CC3)c2C1 ZINC001130163766 1373466826 /nfs/dbraw/zinc/46/68/26/1373466826.db2.gz QEUJAHWZFCCFEU-UHFFFAOYSA-N 1 2 330.476 3.129 20 30 EGEDLO C=CCCCCC[N@H+]1Cc2cnn(C3CCN(C(C)=O)CC3)c2C1 ZINC001130163766 1373466829 /nfs/dbraw/zinc/46/68/29/1373466829.db2.gz QEUJAHWZFCCFEU-UHFFFAOYSA-N 1 2 330.476 3.129 20 30 EGEDLO C=C1CC[NH2+]C[C@@H]1Oc1cc(O)c(CC=C(C)C)c2occc(=O)c12 ZINC001218210973 1373578946 /nfs/dbraw/zinc/57/89/46/1373578946.db2.gz NPYIONUPEXATJP-SFHVURJKSA-N 1 2 341.407 3.304 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)C=C(CC)CC)C[C@H](C)O2 ZINC001131649265 1373744252 /nfs/dbraw/zinc/74/42/52/1373744252.db2.gz IPFVITPRNNCSRJ-MAUKXSAKSA-N 1 2 340.895 3.177 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C=C(CC)CC)C[C@H](C)O2 ZINC001131649265 1373744255 /nfs/dbraw/zinc/74/42/55/1373744255.db2.gz IPFVITPRNNCSRJ-MAUKXSAKSA-N 1 2 340.895 3.177 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CCCC1CC1)C[C@H](C)O2 ZINC001131672801 1373755189 /nfs/dbraw/zinc/75/51/89/1373755189.db2.gz BBIKMJCBGUDYDU-MAUKXSAKSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCCC1CC1)C[C@H](C)O2 ZINC001131672801 1373755191 /nfs/dbraw/zinc/75/51/91/1373755191.db2.gz BBIKMJCBGUDYDU-MAUKXSAKSA-N 1 2 340.895 3.011 20 30 EGEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C(C)(C)C)cs3)C[C@H]21 ZINC001221431015 1373773290 /nfs/dbraw/zinc/77/32/90/1373773290.db2.gz XDXUINMZDYAAIA-HUUCEWRRSA-N 1 2 347.528 3.440 20 30 EGEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](Cc3nc(C(C)(C)C)cs3)C[C@H]21 ZINC001221431015 1373773294 /nfs/dbraw/zinc/77/32/94/1373773294.db2.gz XDXUINMZDYAAIA-HUUCEWRRSA-N 1 2 347.528 3.440 20 30 EGEDLO C=CCCOCCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=C)Cl)C[C@H]21 ZINC001221551632 1373780810 /nfs/dbraw/zinc/78/08/10/1373780810.db2.gz ISJZBSCOAVKUQN-IAGOWNOFSA-N 1 2 340.895 3.035 20 30 EGEDLO C=CCCOCCCCC(=O)N1C[C@H]2CC[N@H+](CC(=C)Cl)C[C@H]21 ZINC001221551632 1373780812 /nfs/dbraw/zinc/78/08/12/1373780812.db2.gz ISJZBSCOAVKUQN-IAGOWNOFSA-N 1 2 340.895 3.035 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)CCSCC)CC[C@H]1C ZINC001131847255 1373833734 /nfs/dbraw/zinc/83/37/34/1373833734.db2.gz AJTOLCASRKMMNW-CHWSQXEVSA-N 1 2 349.338 3.007 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)CCSCC)CC[C@H]1C ZINC001131847255 1373833741 /nfs/dbraw/zinc/83/37/41/1373833741.db2.gz AJTOLCASRKMMNW-CHWSQXEVSA-N 1 2 349.338 3.007 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)/C=C(/C)C2CC2)CC[C@H]1C ZINC001131903958 1375038278 /nfs/dbraw/zinc/03/82/78/1375038278.db2.gz MEPRLGNSEDKURY-JPAZDARGSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)/C=C(/C)C2CC2)CC[C@H]1C ZINC001131903958 1375038283 /nfs/dbraw/zinc/03/82/83/1375038283.db2.gz MEPRLGNSEDKURY-JPAZDARGSA-N 1 2 341.293 3.220 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001131960465 1375072482 /nfs/dbraw/zinc/07/24/82/1375072482.db2.gz MYPMPOHWGFHIET-XJKSGUPXSA-N 1 2 347.409 3.430 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001131960465 1375072488 /nfs/dbraw/zinc/07/24/88/1375072488.db2.gz MYPMPOHWGFHIET-XJKSGUPXSA-N 1 2 347.409 3.430 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)sc2C)C1 ZINC001131972014 1375076860 /nfs/dbraw/zinc/07/68/60/1375076860.db2.gz OPOZVRGKEVQHPV-PBHICJAKSA-N 1 2 347.528 3.423 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2nc(C)sc2C)C1 ZINC001131972014 1375076867 /nfs/dbraw/zinc/07/68/67/1375076867.db2.gz OPOZVRGKEVQHPV-PBHICJAKSA-N 1 2 347.528 3.423 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2csc(C)n2)C1 ZINC001131976190 1375079597 /nfs/dbraw/zinc/07/95/97/1375079597.db2.gz IFGGKEYMRAPPIS-GOEBONIOSA-N 1 2 333.501 3.114 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2csc(C)n2)C1 ZINC001131976190 1375079599 /nfs/dbraw/zinc/07/95/99/1375079599.db2.gz IFGGKEYMRAPPIS-GOEBONIOSA-N 1 2 333.501 3.114 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001132002472 1375092391 /nfs/dbraw/zinc/09/23/91/1375092391.db2.gz KHJGJDBYUFTWTP-GOEBONIOSA-N 1 2 333.863 3.008 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(Cl)n2)C1 ZINC001132002472 1375092394 /nfs/dbraw/zinc/09/23/94/1375092394.db2.gz KHJGJDBYUFTWTP-GOEBONIOSA-N 1 2 333.863 3.008 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(F)cc2F)C1 ZINC001132018215 1375100495 /nfs/dbraw/zinc/10/04/95/1375100495.db2.gz VOXYBWVWPUDSKU-WMLDXEAASA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(F)cc2F)C1 ZINC001132018215 1375100497 /nfs/dbraw/zinc/10/04/97/1375100497.db2.gz VOXYBWVWPUDSKU-WMLDXEAASA-N 1 2 334.410 3.093 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1ccc(Cl)nc1 ZINC001132033163 1375107575 /nfs/dbraw/zinc/10/75/75/1375107575.db2.gz BIJWKJHPQFDRRH-GOEBONIOSA-N 1 2 347.890 3.254 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1ccc(Cl)nc1 ZINC001132033163 1375107579 /nfs/dbraw/zinc/10/75/79/1375107579.db2.gz BIJWKJHPQFDRRH-GOEBONIOSA-N 1 2 347.890 3.254 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1ccc(Cl)s1 ZINC001132033668 1375108566 /nfs/dbraw/zinc/10/85/66/1375108566.db2.gz JLKDQYCHEKDTRV-OCCSQVGLSA-N 1 2 336.888 3.284 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1ccc(Cl)s1 ZINC001132033668 1375108569 /nfs/dbraw/zinc/10/85/69/1375108569.db2.gz JLKDQYCHEKDTRV-OCCSQVGLSA-N 1 2 336.888 3.284 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC001132045694 1375114596 /nfs/dbraw/zinc/11/45/96/1375114596.db2.gz HMWBFOKYOYAPJH-XJKSGUPXSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC001132045694 1375114599 /nfs/dbraw/zinc/11/45/99/1375114599.db2.gz HMWBFOKYOYAPJH-XJKSGUPXSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1cc(Cl)ccc1F ZINC001132045318 1375115031 /nfs/dbraw/zinc/11/50/31/1375115031.db2.gz DNUJDOBPZXPFDO-GUYCJALGSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1cc(Cl)ccc1F ZINC001132045318 1375115037 /nfs/dbraw/zinc/11/50/37/1375115037.db2.gz DNUJDOBPZXPFDO-GUYCJALGSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC001132045692 1375115116 /nfs/dbraw/zinc/11/51/16/1375115116.db2.gz HMWBFOKYOYAPJH-CJNGLKHVSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC001132045692 1375115118 /nfs/dbraw/zinc/11/51/18/1375115118.db2.gz HMWBFOKYOYAPJH-CJNGLKHVSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1ccc(Cl)cc1F ZINC001132047535 1375115935 /nfs/dbraw/zinc/11/59/35/1375115935.db2.gz XXQOYCFXAMUTTM-CXAGYDPISA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1ccc(Cl)cc1F ZINC001132047535 1375115938 /nfs/dbraw/zinc/11/59/38/1375115938.db2.gz XXQOYCFXAMUTTM-CXAGYDPISA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1ccc(Cl)cc1F ZINC001132047539 1375116949 /nfs/dbraw/zinc/11/69/49/1375116949.db2.gz XXQOYCFXAMUTTM-GUYCJALGSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1ccc(Cl)cc1F ZINC001132047539 1375116952 /nfs/dbraw/zinc/11/69/52/1375116952.db2.gz XXQOYCFXAMUTTM-GUYCJALGSA-N 1 2 348.849 3.362 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ncc(CC)o2)C1 ZINC001132067968 1375129972 /nfs/dbraw/zinc/12/99/72/1375129972.db2.gz BYXDEHVPTAEMRE-CABCVRRESA-N 1 2 333.476 3.308 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ncc(CC)o2)C1 ZINC001132067968 1375129975 /nfs/dbraw/zinc/12/99/75/1375129975.db2.gz BYXDEHVPTAEMRE-CABCVRRESA-N 1 2 333.476 3.308 20 30 EGEDLO C[C@@H](Oc1ccc(C#N)cc1F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226049379 1375195772 /nfs/dbraw/zinc/19/57/72/1375195772.db2.gz PMNVFNBRLWTRLK-FOIQADDNSA-N 1 2 340.398 3.366 20 30 EGEDLO C[C@@H](Oc1ccc(C#N)cc1F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226049379 1375195776 /nfs/dbraw/zinc/19/57/76/1375195776.db2.gz PMNVFNBRLWTRLK-FOIQADDNSA-N 1 2 340.398 3.366 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001132217640 1375214936 /nfs/dbraw/zinc/21/49/36/1375214936.db2.gz FDKYNHWLOYMLJG-LSDHHAIUSA-N 1 2 345.487 3.235 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2noc3c2CCCC3)C1 ZINC001132217640 1375214943 /nfs/dbraw/zinc/21/49/43/1375214943.db2.gz FDKYNHWLOYMLJG-LSDHHAIUSA-N 1 2 345.487 3.235 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccncc2Cl)C1 ZINC001132219100 1375218470 /nfs/dbraw/zinc/21/84/70/1375218470.db2.gz ZUEXFRMYKFAVEK-ZFWWWQNUSA-N 1 2 335.879 3.416 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccncc2Cl)C1 ZINC001132219100 1375218471 /nfs/dbraw/zinc/21/84/71/1375218471.db2.gz ZUEXFRMYKFAVEK-ZFWWWQNUSA-N 1 2 335.879 3.416 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001132235834 1375230275 /nfs/dbraw/zinc/23/02/75/1375230275.db2.gz UPILLZYFRRVWJX-RDJZCZTQSA-N 1 2 347.890 3.398 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001132235834 1375230279 /nfs/dbraw/zinc/23/02/79/1375230279.db2.gz UPILLZYFRRVWJX-RDJZCZTQSA-N 1 2 347.890 3.398 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3ncc(C)o3)C2)CC1 ZINC001132291861 1375272715 /nfs/dbraw/zinc/27/27/15/1375272715.db2.gz MWRGLDKPGAGHGW-HOCLYGCPSA-N 1 2 331.460 3.199 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3ncc(C)o3)C2)CC1 ZINC001132291861 1375272716 /nfs/dbraw/zinc/27/27/16/1375272716.db2.gz MWRGLDKPGAGHGW-HOCLYGCPSA-N 1 2 331.460 3.199 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCCc2cccnc2)CC[C@@H]1C ZINC001132384696 1375343655 /nfs/dbraw/zinc/34/36/55/1375343655.db2.gz QXGTXMVCWLVXKT-DOTOQJQBSA-N 1 2 335.879 3.126 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCCc2cccnc2)CC[C@@H]1C ZINC001132384696 1375343657 /nfs/dbraw/zinc/34/36/57/1375343657.db2.gz QXGTXMVCWLVXKT-DOTOQJQBSA-N 1 2 335.879 3.126 20 30 EGEDLO CC(C)C#CC(=O)NC1CC[NH+]([C@@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC001227265505 1375414630 /nfs/dbraw/zinc/41/46/30/1375414630.db2.gz KBPIURPLKKSEKK-HNNXBMFYSA-N 1 2 345.487 3.273 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCCCCOCC)CC[C@H]1C ZINC001132529643 1375443141 /nfs/dbraw/zinc/44/31/41/1375443141.db2.gz PJUUHECHNURCTD-HZPDHXFCSA-N 1 2 330.900 3.305 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCCCCOCC)CC[C@H]1C ZINC001132529643 1375443143 /nfs/dbraw/zinc/44/31/43/1375443143.db2.gz PJUUHECHNURCTD-HZPDHXFCSA-N 1 2 330.900 3.305 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001188807571 1388381165 /nfs/dbraw/zinc/38/11/65/1388381165.db2.gz FMEKHBVKEGHBLL-DXEYKMMJSA-N 1 2 343.298 3.422 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001188807571 1388381169 /nfs/dbraw/zinc/38/11/69/1388381169.db2.gz FMEKHBVKEGHBLL-DXEYKMMJSA-N 1 2 343.298 3.422 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(C(C)C)n1 ZINC001228412732 1375568702 /nfs/dbraw/zinc/56/87/02/1375568702.db2.gz CKXWREBBDDXFLP-CLCXKQKWSA-N 1 2 348.491 3.312 20 30 EGEDLO C#CCCCCCC(=O)NC1CC[NH+](CC(=C)Br)CC1 ZINC001228636939 1375623221 /nfs/dbraw/zinc/62/32/21/1375623221.db2.gz FWZHNXQPEYWLQA-UHFFFAOYSA-N 1 2 341.293 3.059 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC001228749291 1375662274 /nfs/dbraw/zinc/66/22/74/1375662274.db2.gz RKMZJFBWKIZGHS-NEPJUHHUSA-N 1 2 341.908 3.335 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC1CC[NH+]([C@H](C)c2nc(C(C)C)no2)CC1 ZINC001228809009 1375683317 /nfs/dbraw/zinc/68/33/17/1375683317.db2.gz CPKORBIALPCRGN-LSDHHAIUSA-N 1 2 348.491 3.437 20 30 EGEDLO N#Cc1cc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)ccc1F ZINC001133032900 1375725967 /nfs/dbraw/zinc/72/59/67/1375725967.db2.gz LPUAYEWMWZFOBQ-GOSISDBHSA-N 1 2 334.354 3.065 20 30 EGEDLO Cc1nc(O[C@@H]2CCOC[C@H]2C)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229767771 1375889885 /nfs/dbraw/zinc/88/98/85/1375889885.db2.gz GXTZVCWBWRRZTR-FZKQIMNGSA-N 1 2 348.406 3.380 20 30 EGEDLO C=CCC1(C(=O)NC2CC[NH+](Cc3cc(C)on3)CC2)CCCC1 ZINC001230469821 1376033777 /nfs/dbraw/zinc/03/37/77/1376033777.db2.gz SOZMEYUXJOSULF-UHFFFAOYSA-N 1 2 331.460 3.200 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1)C(=O)CC1CC1 ZINC001230603480 1376095619 /nfs/dbraw/zinc/09/56/19/1376095619.db2.gz PRLOXBMKRAMEEJ-SFHVURJKSA-N 1 2 330.859 3.024 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1)C(=O)CC1CC1 ZINC001230603480 1376095624 /nfs/dbraw/zinc/09/56/24/1376095624.db2.gz PRLOXBMKRAMEEJ-SFHVURJKSA-N 1 2 330.859 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+](CCCNC(=O)CC1(C)CC1)Cc1cccnc1 ZINC001230801752 1376153128 /nfs/dbraw/zinc/15/31/28/1376153128.db2.gz HNABUDWYUYIFDX-UHFFFAOYSA-N 1 2 335.879 3.333 20 30 EGEDLO C=C(Cl)C[N@H+](CCCNC(=O)CC1(C)CC1)Cc1cccnc1 ZINC001230801752 1376153132 /nfs/dbraw/zinc/15/31/32/1376153132.db2.gz HNABUDWYUYIFDX-UHFFFAOYSA-N 1 2 335.879 3.333 20 30 EGEDLO C/C(=C\C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F)C1CC1 ZINC001230948192 1376185631 /nfs/dbraw/zinc/18/56/31/1376185631.db2.gz LQQNJJRJAPYHJZ-MOVXZBDNSA-N 1 2 341.430 3.086 20 30 EGEDLO C/C(=C\C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(C#N)ccc1F)C1CC1 ZINC001230948192 1376185634 /nfs/dbraw/zinc/18/56/34/1376185634.db2.gz LQQNJJRJAPYHJZ-MOVXZBDNSA-N 1 2 341.430 3.086 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)/C=C\C(C)(C)C ZINC001231285291 1376221900 /nfs/dbraw/zinc/22/19/00/1376221900.db2.gz ZXJUNQYJTVJXHV-NBEHIINDSA-N 1 2 343.446 3.332 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)/C=C\C(C)(C)C ZINC001231285291 1376221907 /nfs/dbraw/zinc/22/19/07/1376221907.db2.gz ZXJUNQYJTVJXHV-NBEHIINDSA-N 1 2 343.446 3.332 20 30 EGEDLO CCC[C@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC001231310949 1376225728 /nfs/dbraw/zinc/22/57/28/1376225728.db2.gz DVZHKPDFUZQREY-MAUKXSAKSA-N 1 2 343.471 3.036 20 30 EGEDLO CCC[C@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(C#N)ccc1OC ZINC001231310949 1376225735 /nfs/dbraw/zinc/22/57/35/1376225735.db2.gz DVZHKPDFUZQREY-MAUKXSAKSA-N 1 2 343.471 3.036 20 30 EGEDLO CCC[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001231313049 1376227779 /nfs/dbraw/zinc/22/77/79/1376227779.db2.gz UUKCQEDXVFEQIE-APWZRJJASA-N 1 2 330.447 3.146 20 30 EGEDLO CCC[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001231313049 1376227786 /nfs/dbraw/zinc/22/77/86/1376227786.db2.gz UUKCQEDXVFEQIE-APWZRJJASA-N 1 2 330.447 3.146 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cnc(F)c(C)c1)CCO2 ZINC001231927823 1376355102 /nfs/dbraw/zinc/35/51/02/1376355102.db2.gz GNZLZZCXRYGQFY-IEBWSBKVSA-N 1 2 334.435 3.103 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1cnc(F)c(C)c1)CCO2 ZINC001231927823 1376355109 /nfs/dbraw/zinc/35/51/09/1376355109.db2.gz GNZLZZCXRYGQFY-IEBWSBKVSA-N 1 2 334.435 3.103 20 30 EGEDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2O)[C@H]1c1ccccc1 ZINC001232674599 1376498370 /nfs/dbraw/zinc/49/83/70/1376498370.db2.gz BWADYDYFSGQGOR-MJGOQNOKSA-N 1 2 336.391 3.000 20 30 EGEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)[C@H]1c1ccccc1 ZINC001232674599 1376498373 /nfs/dbraw/zinc/49/83/73/1376498373.db2.gz BWADYDYFSGQGOR-MJGOQNOKSA-N 1 2 336.391 3.000 20 30 EGEDLO COc1cccc(O[C@H]2CCC[N@H+](Cc3cc(C#N)ccc3O)C2)c1 ZINC001232679776 1376499880 /nfs/dbraw/zinc/49/98/80/1376499880.db2.gz RVMSDRXQTGVFCF-IBGZPJMESA-N 1 2 338.407 3.316 20 30 EGEDLO COc1cccc(O[C@H]2CCC[N@@H+](Cc3cc(C#N)ccc3O)C2)c1 ZINC001232679776 1376499882 /nfs/dbraw/zinc/49/98/82/1376499882.db2.gz RVMSDRXQTGVFCF-IBGZPJMESA-N 1 2 338.407 3.316 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232680912 1376502315 /nfs/dbraw/zinc/50/23/15/1376502315.db2.gz ISQUIHHLLAEWOL-IBGZPJMESA-N 1 2 345.443 3.001 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232680912 1376502317 /nfs/dbraw/zinc/50/23/17/1376502317.db2.gz ISQUIHHLLAEWOL-IBGZPJMESA-N 1 2 345.443 3.001 20 30 EGEDLO Cc1ccc(C[N@@H+]2CC[C@@H](N3Cc4c(cccc4F)C3=O)C2)c(C#N)c1 ZINC001232968921 1376550258 /nfs/dbraw/zinc/55/02/58/1376550258.db2.gz RMQXQVZQBQLSCS-QGZVFWFLSA-N 1 2 349.409 3.236 20 30 EGEDLO Cc1ccc(C[N@H+]2CC[C@@H](N3Cc4c(cccc4F)C3=O)C2)c(C#N)c1 ZINC001232968921 1376550260 /nfs/dbraw/zinc/55/02/60/1376550260.db2.gz RMQXQVZQBQLSCS-QGZVFWFLSA-N 1 2 349.409 3.236 20 30 EGEDLO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@H+]1Cc1ccc(C#N)cc1O ZINC001233384362 1376635511 /nfs/dbraw/zinc/63/55/11/1376635511.db2.gz SMEOBMACVUFATD-KGLIPLIRSA-N 1 2 345.443 3.094 20 30 EGEDLO CC(C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)=C1CCCC1 ZINC001233581201 1376674408 /nfs/dbraw/zinc/67/44/08/1376674408.db2.gz PYKHWGPHNOLHMB-FQEVSTJZSA-N 1 2 337.467 3.481 20 30 EGEDLO CC(C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)=C1CCCC1 ZINC001233581201 1376674416 /nfs/dbraw/zinc/67/44/16/1376674416.db2.gz PYKHWGPHNOLHMB-FQEVSTJZSA-N 1 2 337.467 3.481 20 30 EGEDLO COc1cc(/C=N/O)ccc1O[C@H]1CCCN(c2ccc(C)c[nH+]2)C1 ZINC001233804392 1376721201 /nfs/dbraw/zinc/72/12/01/1376721201.db2.gz YZIGXYKKSUENCF-GKXUUXLPSA-N 1 2 341.411 3.255 20 30 EGEDLO COc1cc(F)c(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1F ZINC001234269635 1376797360 /nfs/dbraw/zinc/79/73/60/1376797360.db2.gz CYUBDCFGULPKBC-HNNXBMFYSA-N 1 2 344.361 3.498 20 30 EGEDLO COc1cc(F)c(O[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cc1F ZINC001234269635 1376797366 /nfs/dbraw/zinc/79/73/66/1376797366.db2.gz CYUBDCFGULPKBC-HNNXBMFYSA-N 1 2 344.361 3.498 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(F)(F)C(F)F)cc1 ZINC001135156064 1376940789 /nfs/dbraw/zinc/94/07/89/1376940789.db2.gz BHMDRTOSQGBPGP-RYUDHWBXSA-N 1 2 344.352 3.055 20 30 EGEDLO N#CC1([NH2+][C@H]2CCC(=O)N(Cc3ccccc3)CC2)CCCCC1 ZINC001258571711 1377117790 /nfs/dbraw/zinc/11/77/90/1377117790.db2.gz CKGSUTAFAIEGOU-SFHVURJKSA-N 1 2 325.456 3.384 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C1(c2cccc(C)c2)CC1 ZINC001266496059 1377322489 /nfs/dbraw/zinc/32/24/89/1377322489.db2.gz ZWBAQRCNYPJFJF-KRWDZBQOSA-N 1 2 332.875 3.360 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C1(c2cccc(C)c2)CC1 ZINC001266496059 1377322493 /nfs/dbraw/zinc/32/24/93/1377322493.db2.gz ZWBAQRCNYPJFJF-KRWDZBQOSA-N 1 2 332.875 3.360 20 30 EGEDLO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ncc(Cl)s1)C2 ZINC001137106618 1377479903 /nfs/dbraw/zinc/47/99/03/1377479903.db2.gz MXDUAGXRTRZMQS-CZUORRHYSA-N 1 2 342.892 3.370 20 30 EGEDLO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ncc(Cl)s1)C2 ZINC001137106618 1377479905 /nfs/dbraw/zinc/47/99/05/1377479905.db2.gz MXDUAGXRTRZMQS-CZUORRHYSA-N 1 2 342.892 3.370 20 30 EGEDLO N#Cc1ccccc1OC1C[NH+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC001137190941 1377493904 /nfs/dbraw/zinc/49/39/04/1377493904.db2.gz LDULHRWJFIPALW-UHFFFAOYSA-N 1 2 331.375 3.075 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccnn1C(CC)CC ZINC001268239965 1377501145 /nfs/dbraw/zinc/50/11/45/1377501145.db2.gz XBYZSCVDXSRIIE-UHFFFAOYSA-N 1 2 326.872 3.001 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccnn1C(CC)CC ZINC001268239965 1377501148 /nfs/dbraw/zinc/50/11/48/1377501148.db2.gz XBYZSCVDXSRIIE-UHFFFAOYSA-N 1 2 326.872 3.001 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1cccc(C)c1F ZINC001137676067 1377588995 /nfs/dbraw/zinc/58/89/95/1377588995.db2.gz IJSVFHWBJDINMM-KRWDZBQOSA-N 1 2 329.419 3.170 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1cccc(C)c1F ZINC001137676067 1377588997 /nfs/dbraw/zinc/58/89/97/1377588997.db2.gz IJSVFHWBJDINMM-KRWDZBQOSA-N 1 2 329.419 3.170 20 30 EGEDLO CC[N@H+](CC(=O)OC)Cc1ccc(N(C)c2ccc(C#N)cc2)cc1 ZINC001137904020 1377641836 /nfs/dbraw/zinc/64/18/36/1377641836.db2.gz HXPDDJCLPBSPCD-UHFFFAOYSA-N 1 2 337.423 3.321 20 30 EGEDLO CC[N@@H+](CC(=O)OC)Cc1ccc(N(C)c2ccc(C#N)cc2)cc1 ZINC001137904020 1377641839 /nfs/dbraw/zinc/64/18/39/1377641839.db2.gz HXPDDJCLPBSPCD-UHFFFAOYSA-N 1 2 337.423 3.321 20 30 EGEDLO Cc1cc(C)cc(C(=O)N(C)CC[N@H+](C)Cc2ccccc2C#N)c1 ZINC001272158084 1377658521 /nfs/dbraw/zinc/65/85/21/1377658521.db2.gz AKARYWUHNIUOFX-UHFFFAOYSA-N 1 2 335.451 3.379 20 30 EGEDLO Cc1cc(C)cc(C(=O)N(C)CC[N@@H+](C)Cc2ccccc2C#N)c1 ZINC001272158084 1377658525 /nfs/dbraw/zinc/65/85/25/1377658525.db2.gz AKARYWUHNIUOFX-UHFFFAOYSA-N 1 2 335.451 3.379 20 30 EGEDLO COc1cc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)ccc1OC(F)F ZINC001138554120 1377741799 /nfs/dbraw/zinc/74/17/99/1377741799.db2.gz ZOJYQHCMMXKSQR-CQSZACIVSA-N 1 2 341.379 3.071 20 30 EGEDLO Cc1c[nH]c(C[NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)n1 ZINC001138939333 1377805937 /nfs/dbraw/zinc/80/59/37/1377805937.db2.gz MGZDGKJIBDDCLO-UHFFFAOYSA-N 1 2 330.819 3.287 20 30 EGEDLO CCn1cc2c(n1)C[N@@H+](Cc1c[nH]c3c1cccc3C#N)C[C@@H]2COC ZINC001139702921 1377937417 /nfs/dbraw/zinc/93/74/17/1377937417.db2.gz IBUHJHZRRJZMRX-MRXNPFEDSA-N 1 2 349.438 3.002 20 30 EGEDLO CCn1cc2c(n1)C[N@H+](Cc1c[nH]c3c1cccc3C#N)C[C@@H]2COC ZINC001139702921 1377937421 /nfs/dbraw/zinc/93/74/21/1377937421.db2.gz IBUHJHZRRJZMRX-MRXNPFEDSA-N 1 2 349.438 3.002 20 30 EGEDLO N#Cc1ccc2[nH]cc(C[N@@H+]3CCN4CCc5ccccc5[C@H]4C3)c2c1 ZINC001140115550 1378011516 /nfs/dbraw/zinc/01/15/16/1378011516.db2.gz GCKGKZKYWCYFRK-JOCHJYFZSA-N 1 2 342.446 3.455 20 30 EGEDLO N#Cc1ccc2[nH]cc(C[N@H+]3CCN4CCc5ccccc5[C@H]4C3)c2c1 ZINC001140115550 1378011518 /nfs/dbraw/zinc/01/15/18/1378011518.db2.gz GCKGKZKYWCYFRK-JOCHJYFZSA-N 1 2 342.446 3.455 20 30 EGEDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1c[nH]c3ccc(C#N)cc13)C2 ZINC001140117736 1378012554 /nfs/dbraw/zinc/01/25/54/1378012554.db2.gz XJGXNXIRQPGUOD-UHFFFAOYSA-N 1 2 331.375 3.342 20 30 EGEDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1c[nH]c3ccc(C#N)cc13)C2 ZINC001140117736 1378012556 /nfs/dbraw/zinc/01/25/56/1378012556.db2.gz XJGXNXIRQPGUOD-UHFFFAOYSA-N 1 2 331.375 3.342 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(O)cc1F)CCO2 ZINC001140126955 1378013339 /nfs/dbraw/zinc/01/33/39/1378013339.db2.gz ZAWZKFNUZIFDKH-QFBILLFUSA-N 1 2 335.419 3.105 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccc(O)cc1F)CCO2 ZINC001140126955 1378013344 /nfs/dbraw/zinc/01/33/44/1378013344.db2.gz ZAWZKFNUZIFDKH-QFBILLFUSA-N 1 2 335.419 3.105 20 30 EGEDLO CC(=O)C[N@@H+](C)Cc1cn(C(=O)OC(C)(C)C)c2ccc(C#N)cc12 ZINC001140437656 1378062639 /nfs/dbraw/zinc/06/26/39/1378062639.db2.gz MYDLZJKQRATBQG-UHFFFAOYSA-N 1 2 341.411 3.317 20 30 EGEDLO CC(=O)C[N@H+](C)Cc1cn(C(=O)OC(C)(C)C)c2ccc(C#N)cc12 ZINC001140437656 1378062641 /nfs/dbraw/zinc/06/26/41/1378062641.db2.gz MYDLZJKQRATBQG-UHFFFAOYSA-N 1 2 341.411 3.317 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001140815240 1378149265 /nfs/dbraw/zinc/14/92/65/1378149265.db2.gz KMXMNFWEJUJETE-HNNXBMFYSA-N 1 2 333.819 3.088 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001140815240 1378149269 /nfs/dbraw/zinc/14/92/69/1378149269.db2.gz KMXMNFWEJUJETE-HNNXBMFYSA-N 1 2 333.819 3.088 20 30 EGEDLO Cc1cccc(N2CC[NH+](Cc3sc(N)c(C#N)c3Cl)CC2)c1 ZINC001141109329 1378241267 /nfs/dbraw/zinc/24/12/67/1378241267.db2.gz PYPDGERPTWQPGJ-UHFFFAOYSA-N 1 2 346.887 3.486 20 30 EGEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC2(C[C@@H]2CCO)CC1 ZINC001141809768 1378381355 /nfs/dbraw/zinc/38/13/55/1378381355.db2.gz BXDLJVXGDFXSFN-HNNXBMFYSA-N 1 2 349.272 3.305 20 30 EGEDLO CSc1nc(C[N@@H+]2CC[C@H]2COCc2ccccc2)ccc1C#N ZINC001141940061 1378396635 /nfs/dbraw/zinc/39/66/35/1378396635.db2.gz ZYWARHOXEFWZIX-SFHVURJKSA-N 1 2 339.464 3.466 20 30 EGEDLO CSc1nc(C[N@H+]2CC[C@H]2COCc2ccccc2)ccc1C#N ZINC001141940061 1378396636 /nfs/dbraw/zinc/39/66/36/1378396636.db2.gz ZYWARHOXEFWZIX-SFHVURJKSA-N 1 2 339.464 3.466 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(F)ccc(C#N)c1F)C2 ZINC001143170989 1378553168 /nfs/dbraw/zinc/55/31/68/1378553168.db2.gz NRXZGSFSKIQTTP-HNAYVOBHSA-N 1 2 348.393 3.163 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c(F)ccc(C#N)c1F)C2 ZINC001143170989 1378553174 /nfs/dbraw/zinc/55/31/74/1378553174.db2.gz NRXZGSFSKIQTTP-HNAYVOBHSA-N 1 2 348.393 3.163 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1cc(C)cc(F)c1 ZINC001143586416 1378621591 /nfs/dbraw/zinc/62/15/91/1378621591.db2.gz LTZBYNKOSHFREH-SFHVURJKSA-N 1 2 329.419 3.170 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1cc(C)cc(F)c1 ZINC001143586416 1378621593 /nfs/dbraw/zinc/62/15/93/1378621593.db2.gz LTZBYNKOSHFREH-SFHVURJKSA-N 1 2 329.419 3.170 20 30 EGEDLO C=CC[C@@H](C)C(=O)N1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC001144021602 1378671762 /nfs/dbraw/zinc/67/17/62/1378671762.db2.gz STUOJOAYFSWFNC-MRXNPFEDSA-N 1 2 346.446 3.145 20 30 EGEDLO COc1ccc([C@@H]2CSCC[N@@H+]2Cc2cncc(C#N)c2)cc1 ZINC001144079286 1378680782 /nfs/dbraw/zinc/68/07/82/1378680782.db2.gz GUFYYOMJFVTZBC-SFHVURJKSA-N 1 2 325.437 3.252 20 30 EGEDLO COc1ccc([C@@H]2CSCC[N@H+]2Cc2cncc(C#N)c2)cc1 ZINC001144079286 1378680784 /nfs/dbraw/zinc/68/07/84/1378680784.db2.gz GUFYYOMJFVTZBC-SFHVURJKSA-N 1 2 325.437 3.252 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1csc(CC)n1)C2 ZINC001148096227 1379118058 /nfs/dbraw/zinc/11/80/58/1379118058.db2.gz YCEQIYFVMPDVFS-HUUCEWRRSA-N 1 2 347.528 3.198 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1csc(CC)n1)C2 ZINC001148096227 1379118060 /nfs/dbraw/zinc/11/80/60/1379118060.db2.gz YCEQIYFVMPDVFS-HUUCEWRRSA-N 1 2 347.528 3.198 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@H+](CC(=C)Br)C2 ZINC001148128994 1379122202 /nfs/dbraw/zinc/12/22/02/1379122202.db2.gz CXQAWZZBMICKNB-AWEZNQCLSA-N 1 2 341.293 3.032 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](CC(=C)Br)C2 ZINC001148128994 1379122203 /nfs/dbraw/zinc/12/22/03/1379122203.db2.gz CXQAWZZBMICKNB-AWEZNQCLSA-N 1 2 341.293 3.032 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@H+](Cc1ccn(C(C)C)n1)C2 ZINC001148126273 1379122231 /nfs/dbraw/zinc/12/22/31/1379122231.db2.gz VQJWDERGGUQUEU-QGZVFWFLSA-N 1 2 344.503 3.101 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](Cc1ccn(C(C)C)n1)C2 ZINC001148126273 1379122233 /nfs/dbraw/zinc/12/22/33/1379122233.db2.gz VQJWDERGGUQUEU-QGZVFWFLSA-N 1 2 344.503 3.101 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)C3(CCC)CC3)C2)C1 ZINC001148241251 1379137929 /nfs/dbraw/zinc/13/79/29/1379137929.db2.gz IQGPJKLWVDTHEQ-UHFFFAOYSA-N 1 2 341.293 3.010 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)C3(CCC)CC3)C2)C1 ZINC001148241251 1379137930 /nfs/dbraw/zinc/13/79/30/1379137930.db2.gz IQGPJKLWVDTHEQ-UHFFFAOYSA-N 1 2 341.293 3.010 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[N@H+](CC=C(Cl)Cl)CCCO1 ZINC001150165018 1379505931 /nfs/dbraw/zinc/50/59/31/1379505931.db2.gz FQIZLTDHSAPABR-UONOGXRCSA-N 1 2 349.302 3.115 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[N@@H+](CC=C(Cl)Cl)CCCO1 ZINC001150165018 1379505934 /nfs/dbraw/zinc/50/59/34/1379505934.db2.gz FQIZLTDHSAPABR-UONOGXRCSA-N 1 2 349.302 3.115 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1occc1C ZINC001151892777 1379812121 /nfs/dbraw/zinc/81/21/21/1379812121.db2.gz AJMMFIWPMFQTNU-CQSZACIVSA-N 1 2 343.402 3.239 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1occc1C ZINC001151892777 1379812122 /nfs/dbraw/zinc/81/21/22/1379812122.db2.gz AJMMFIWPMFQTNU-CQSZACIVSA-N 1 2 343.402 3.239 20 30 EGEDLO C=CCC1(C(=O)NCC[NH2+][C@@H](C)c2nc(C3CC3)no2)CCCCC1 ZINC001152003606 1379836905 /nfs/dbraw/zinc/83/69/05/1379836905.db2.gz NLEDQOBOFBLPAZ-AWEZNQCLSA-N 1 2 346.475 3.240 20 30 EGEDLO CC[N@H+](Cc1c(Cl)cccc1Cl)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152419958 1379931417 /nfs/dbraw/zinc/93/14/17/1379931417.db2.gz JUYQYNFEVQFYOM-NWDGAFQWSA-N 1 2 342.270 3.480 20 30 EGEDLO CC[N@@H+](Cc1c(Cl)cccc1Cl)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152419958 1379931421 /nfs/dbraw/zinc/93/14/21/1379931421.db2.gz JUYQYNFEVQFYOM-NWDGAFQWSA-N 1 2 342.270 3.480 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C=C(CC)CC ZINC001152713269 1379974170 /nfs/dbraw/zinc/97/41/70/1379974170.db2.gz UPOHYQBOIDPSAL-CYBMUJFWSA-N 1 2 331.298 3.468 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C=C(CC)CC ZINC001152713269 1379974171 /nfs/dbraw/zinc/97/41/71/1379974171.db2.gz UPOHYQBOIDPSAL-CYBMUJFWSA-N 1 2 331.298 3.468 20 30 EGEDLO C#CCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C(C)(C)C)o1 ZINC001153012392 1380008206 /nfs/dbraw/zinc/00/82/06/1380008206.db2.gz JDFJXTXPTVOOEC-OAHLLOKOSA-N 1 2 333.476 3.102 20 30 EGEDLO C#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C(C)(C)C)o1 ZINC001153012392 1380008212 /nfs/dbraw/zinc/00/82/12/1380008212.db2.gz JDFJXTXPTVOOEC-OAHLLOKOSA-N 1 2 333.476 3.102 20 30 EGEDLO C=CCC1(C(=O)NCC[NH2+][C@H](C)c2nnc(CC(C)C)o2)CCCC1 ZINC001153814077 1380134644 /nfs/dbraw/zinc/13/46/44/1380134644.db2.gz PKSLFGQFMBMJHS-OAHLLOKOSA-N 1 2 348.491 3.171 20 30 EGEDLO C=CCC[C@H](C(=O)NCC[NH2+][C@@H](C)c1csnn1)c1ccccc1 ZINC001153824211 1380137782 /nfs/dbraw/zinc/13/77/82/1380137782.db2.gz ACQORRLTKQSIJS-HOCLYGCPSA-N 1 2 344.484 3.055 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)c2c(Cl)ccc3cc(C)cnc32)CC1 ZINC001154458608 1380280941 /nfs/dbraw/zinc/28/09/41/1380280941.db2.gz NHHQGHTYVMTWDG-UHFFFAOYSA-N 1 2 329.831 3.140 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CC(C)C)C(C)(C)C1 ZINC001328059767 1388656650 /nfs/dbraw/zinc/65/66/50/1388656650.db2.gz GQTYECWEWDLLHV-ZDUSSCGKSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CC(C)C)C(C)(C)C1 ZINC001328059767 1388656653 /nfs/dbraw/zinc/65/66/53/1388656653.db2.gz GQTYECWEWDLLHV-ZDUSSCGKSA-N 1 2 331.298 3.158 20 30 EGEDLO N#Cc1cc2[nH]c(NC(=[NH2+])c3ccc(C(F)(F)F)cc3)ccc-2n1 ZINC001155851116 1380498729 /nfs/dbraw/zinc/49/87/29/1380498729.db2.gz DALPEIIMYCEESL-UHFFFAOYSA-N 1 2 329.285 3.490 20 30 EGEDLO N#Cc1ccc2cc[nH+]c(NCC(=O)N3CCc4ccccc43)c2c1 ZINC001156351754 1380562769 /nfs/dbraw/zinc/56/27/69/1380562769.db2.gz FHYNBIFNHVCMQT-UHFFFAOYSA-N 1 2 328.375 3.108 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(C)cc1 ZINC001156595301 1380598226 /nfs/dbraw/zinc/59/82/26/1380598226.db2.gz XFNYYMXNRSVREU-CQSZACIVSA-N 1 2 339.277 3.344 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C)cc1 ZINC001156595301 1380598230 /nfs/dbraw/zinc/59/82/30/1380598230.db2.gz XFNYYMXNRSVREU-CQSZACIVSA-N 1 2 339.277 3.344 20 30 EGEDLO C=C(C)C(=O)NCCCNc1[nH+]cccc1OCc1ccccc1 ZINC001156826392 1380655190 /nfs/dbraw/zinc/65/51/90/1380655190.db2.gz TUIWBXCNGZIFDV-UHFFFAOYSA-N 1 2 325.412 3.155 20 30 EGEDLO C=C[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1nccs1)c1ccccc1 ZINC001157047164 1380760312 /nfs/dbraw/zinc/76/03/12/1380760312.db2.gz NCJQBXMHWBCPFX-NVXWUHKLSA-N 1 2 343.496 3.440 20 30 EGEDLO C=C[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nccs1)c1ccccc1 ZINC001157047164 1380760316 /nfs/dbraw/zinc/76/03/16/1380760316.db2.gz NCJQBXMHWBCPFX-NVXWUHKLSA-N 1 2 343.496 3.440 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2nccc(C)n2)CCCC1 ZINC001157363920 1380853884 /nfs/dbraw/zinc/85/38/84/1380853884.db2.gz AMTCOEVNOCZYJZ-QGZVFWFLSA-N 1 2 344.503 3.248 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2nccc(C)n2)CCCC1 ZINC001157363920 1380853892 /nfs/dbraw/zinc/85/38/92/1380853892.db2.gz AMTCOEVNOCZYJZ-QGZVFWFLSA-N 1 2 344.503 3.248 20 30 EGEDLO CCN(CCn1cc[nH+]c1)c1nc(-c2ccc(F)cc2)ccc1C#N ZINC001157459646 1380909451 /nfs/dbraw/zinc/90/94/51/1380909451.db2.gz FKQNYGHHZUQTAY-UHFFFAOYSA-N 1 2 335.386 3.482 20 30 EGEDLO C=CCC(CC=C)C(=O)NCCC1=CC[N@H+](Cc2coc(C)n2)CC1 ZINC001160253007 1382049878 /nfs/dbraw/zinc/04/98/78/1382049878.db2.gz FYNKYMFMDARBAR-UHFFFAOYSA-N 1 2 343.471 3.390 20 30 EGEDLO C=CCC(CC=C)C(=O)NCCC1=CC[N@@H+](Cc2coc(C)n2)CC1 ZINC001160253007 1382049888 /nfs/dbraw/zinc/04/98/88/1382049888.db2.gz FYNKYMFMDARBAR-UHFFFAOYSA-N 1 2 343.471 3.390 20 30 EGEDLO C#CCOCCOCCNc1cc(SCc2ccccc2)cc[nH+]1 ZINC001160671563 1382166380 /nfs/dbraw/zinc/16/63/80/1382166380.db2.gz SPTHRAHMSHAFRZ-UHFFFAOYSA-N 1 2 342.464 3.452 20 30 EGEDLO Cc1cc(NC(=O)Cc2ccccc2CC#N)ccc1-n1cc[nH+]c1 ZINC001292864408 1382222842 /nfs/dbraw/zinc/22/28/42/1382222842.db2.gz JPQNJDFNAQJXPL-UHFFFAOYSA-N 1 2 330.391 3.428 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@H+](Cc2csnc2OC)CC1 ZINC001160888361 1382225677 /nfs/dbraw/zinc/22/56/77/1382225677.db2.gz RGEXUISGADJQBS-UHFFFAOYSA-N 1 2 349.500 3.002 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2csnc2OC)CC1 ZINC001160888361 1382225680 /nfs/dbraw/zinc/22/56/80/1382225680.db2.gz RGEXUISGADJQBS-UHFFFAOYSA-N 1 2 349.500 3.002 20 30 EGEDLO C#CCCCCCC(=O)NCCC1=CC[N@H+](Cc2coc(C)n2)CC1 ZINC001160915434 1382232982 /nfs/dbraw/zinc/23/29/82/1382232982.db2.gz YNCNHKKBCTZWFK-UHFFFAOYSA-N 1 2 343.471 3.205 20 30 EGEDLO C#CCCCCCC(=O)NCCC1=CC[N@@H+](Cc2coc(C)n2)CC1 ZINC001160915434 1382232985 /nfs/dbraw/zinc/23/29/85/1382232985.db2.gz YNCNHKKBCTZWFK-UHFFFAOYSA-N 1 2 343.471 3.205 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2ncc(C)o2)CC1 ZINC001160962094 1382252343 /nfs/dbraw/zinc/25/23/43/1382252343.db2.gz ZAZLDHULASAGIQ-HNNXBMFYSA-N 1 2 331.460 3.224 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2ncc(C)o2)CC1 ZINC001160962094 1382252348 /nfs/dbraw/zinc/25/23/48/1382252348.db2.gz ZAZLDHULASAGIQ-HNNXBMFYSA-N 1 2 331.460 3.224 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@H+](Cc2nccc(C)n2)CC1 ZINC001160991608 1382264052 /nfs/dbraw/zinc/26/40/52/1382264052.db2.gz RNCXORVBCGLBPO-KRWDZBQOSA-N 1 2 342.487 3.026 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@@H+](Cc2nccc(C)n2)CC1 ZINC001160991608 1382264056 /nfs/dbraw/zinc/26/40/56/1382264056.db2.gz RNCXORVBCGLBPO-KRWDZBQOSA-N 1 2 342.487 3.026 20 30 EGEDLO COC(=O)C[C@H](Nc1[nH+]ccc2ccc(C#N)cc21)c1ccccn1 ZINC001161060595 1382286320 /nfs/dbraw/zinc/28/63/20/1382286320.db2.gz DXJZAVHMQYEMQO-KRWDZBQOSA-N 1 2 332.363 3.218 20 30 EGEDLO C=CCC1(C(=O)NCCC2=CC[N@H+](Cc3ncc(C)o3)CC2)CCC1 ZINC001161125949 1382309531 /nfs/dbraw/zinc/30/95/31/1382309531.db2.gz JFPHFTIWJCPRJM-UHFFFAOYSA-N 1 2 343.471 3.368 20 30 EGEDLO C=CCC1(C(=O)NCCC2=CC[N@@H+](Cc3ncc(C)o3)CC2)CCC1 ZINC001161125949 1382309539 /nfs/dbraw/zinc/30/95/39/1382309539.db2.gz JFPHFTIWJCPRJM-UHFFFAOYSA-N 1 2 343.471 3.368 20 30 EGEDLO CC(C)n1c[nH+]cc1CNc1ccc(C2(C#N)CCOCC2)cn1 ZINC001161569477 1382442020 /nfs/dbraw/zinc/44/20/20/1382442020.db2.gz NPKQVZQYSFQGMK-UHFFFAOYSA-N 1 2 325.416 3.043 20 30 EGEDLO C=CCOC(=O)N1CCC2(CN(c3cc(SC)cc[nH+]3)C2)CC1 ZINC001163865035 1383131024 /nfs/dbraw/zinc/13/10/24/1383131024.db2.gz AKTCZLMQPMVCOE-UHFFFAOYSA-N 1 2 333.457 3.028 20 30 EGEDLO N#Cc1ccc2cc[nH+]c(N3C[C@@H]4C(=O)Nc5ccccc5[C@H]4C3)c2c1 ZINC001165285507 1383266096 /nfs/dbraw/zinc/26/60/96/1383266096.db2.gz VAQAIQIIACCOTI-MSOLQXFVSA-N 1 2 340.386 3.279 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1cocc1C ZINC001328752336 1388843856 /nfs/dbraw/zinc/84/38/56/1388843856.db2.gz HQPSGIVTDDZKGZ-ZDUSSCGKSA-N 1 2 341.249 3.033 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cocc1C ZINC001328752336 1388843860 /nfs/dbraw/zinc/84/38/60/1388843860.db2.gz HQPSGIVTDDZKGZ-ZDUSSCGKSA-N 1 2 341.249 3.033 20 30 EGEDLO C=CCN1C(=O)CC[C@]12CCCN(c1ccc(Cl)c(N)[nH+]1)[C@H]2CC ZINC001165597741 1383314466 /nfs/dbraw/zinc/31/44/66/1383314466.db2.gz FWADUZNSHIDNTO-KSSFIOAISA-N 1 2 348.878 3.243 20 30 EGEDLO CC(C)C(=O)N1CCC[C@]12CCN(c1[nH+]ccc3ccc(C#N)cc31)C2 ZINC001166472308 1383425650 /nfs/dbraw/zinc/42/56/50/1383425650.db2.gz ALFYJOUKWGZBOC-OAQYLSRUSA-N 1 2 348.450 3.334 20 30 EGEDLO C=CCCC1(C(=O)NCCC2(C[NH2+][C@H](C)c3noc(C)n3)CC2)CC1 ZINC001167025733 1383521746 /nfs/dbraw/zinc/52/17/46/1383521746.db2.gz KPERVDYCEOVKDP-CQSZACIVSA-N 1 2 346.475 3.062 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1(C[NH2+]Cc2noc(C(C)C)n2)CC1 ZINC001167026262 1383522518 /nfs/dbraw/zinc/52/25/18/1383522518.db2.gz XPDFUYLZHWWABZ-GOSISDBHSA-N 1 2 348.491 3.171 20 30 EGEDLO C=CC1(CC(=O)NCCC[NH2+]Cc2noc(CCC)n2)CCCCC1 ZINC001168183106 1383837663 /nfs/dbraw/zinc/83/76/63/1383837663.db2.gz YAGWCUQIMUKOHL-UHFFFAOYSA-N 1 2 348.491 3.145 20 30 EGEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCCCOC(C)C)[nH+]1 ZINC001168679323 1383968192 /nfs/dbraw/zinc/96/81/92/1383968192.db2.gz KWKDZPNOYAULAM-NOPGXUSGSA-N 1 2 339.505 3.498 20 30 EGEDLO Cc1cc(C[N@@H+]2CCN(Cc3ccccc3)C(=O)C2(C)C)ccc1C#N ZINC001308786396 1384149731 /nfs/dbraw/zinc/14/97/31/1384149731.db2.gz LQTOCXQHRNPUTG-UHFFFAOYSA-N 1 2 347.462 3.490 20 30 EGEDLO Cc1cc(C[N@H+]2CCN(Cc3ccccc3)C(=O)C2(C)C)ccc1C#N ZINC001308786396 1384149732 /nfs/dbraw/zinc/14/97/32/1384149732.db2.gz LQTOCXQHRNPUTG-UHFFFAOYSA-N 1 2 347.462 3.490 20 30 EGEDLO N#CC1(c2ccccc2)CCC([N@@H+]2CCn3c(nnc3C3CC3)C2)CC1 ZINC001170389292 1384305468 /nfs/dbraw/zinc/30/54/68/1384305468.db2.gz QLKLHHDJFLZKBN-UHFFFAOYSA-N 1 2 347.466 3.375 20 30 EGEDLO N#CC1(c2ccccc2)CCC([N@H+]2CCn3c(nnc3C3CC3)C2)CC1 ZINC001170389292 1384305472 /nfs/dbraw/zinc/30/54/72/1384305472.db2.gz QLKLHHDJFLZKBN-UHFFFAOYSA-N 1 2 347.466 3.375 20 30 EGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171181857 1384461891 /nfs/dbraw/zinc/46/18/91/1384461891.db2.gz PWSBUECKNLNZLF-OXJNMPFZSA-N 1 2 336.435 3.253 20 30 EGEDLO N#C[C@@H]1C[NH2+]CCN1C1CCC(c2ccc(Br)cc2)CC1 ZINC001171650593 1384592559 /nfs/dbraw/zinc/59/25/59/1384592559.db2.gz WEXGZKQMPVQAHR-BDVYOWHSSA-N 1 2 348.288 3.273 20 30 EGEDLO C=CCOC(=O)[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001172368015 1384778554 /nfs/dbraw/zinc/77/85/54/1384778554.db2.gz HUKAPXJOQXZSJH-FPCVCCKLSA-N 1 2 339.476 3.230 20 30 EGEDLO O=C1C=C2C[N@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC[C@@H]2S1 ZINC001172902781 1384875123 /nfs/dbraw/zinc/87/51/23/1384875123.db2.gz CNOROZTXMLSWJT-WBVHZDCISA-N 1 2 344.436 3.116 20 30 EGEDLO O=C1C=C2C[N@@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC[C@@H]2S1 ZINC001172902781 1384875124 /nfs/dbraw/zinc/87/51/24/1384875124.db2.gz CNOROZTXMLSWJT-WBVHZDCISA-N 1 2 344.436 3.116 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@](C)(F)[C@H](F)C2)C[C@H]1C#N ZINC001172981611 1384895151 /nfs/dbraw/zinc/89/51/51/1384895151.db2.gz XNZROXJDQHQKSD-ZJOBFFGXSA-N 1 2 343.418 3.050 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@](C)(F)[C@H](F)C2)C[C@H]1C#N ZINC001172981611 1384895154 /nfs/dbraw/zinc/89/51/54/1384895154.db2.gz XNZROXJDQHQKSD-ZJOBFFGXSA-N 1 2 343.418 3.050 20 30 EGEDLO C[NH+]1CCN(c2ccc(Nc3ccnc4ccccc43)cc2C#N)CC1 ZINC001174038224 1385048184 /nfs/dbraw/zinc/04/81/84/1385048184.db2.gz KCXFVGMCAXLNHY-UHFFFAOYSA-N 1 2 343.434 3.024 20 30 EGEDLO CC[C@H](CC(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F)C(C)C ZINC001317466875 1385159728 /nfs/dbraw/zinc/15/97/28/1385159728.db2.gz JJUXPJDEPJKMLA-MRXNPFEDSA-N 1 2 333.451 3.318 20 30 EGEDLO CC[C@H](CC(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F)C(C)C ZINC001317466875 1385159730 /nfs/dbraw/zinc/15/97/30/1385159730.db2.gz JJUXPJDEPJKMLA-MRXNPFEDSA-N 1 2 333.451 3.318 20 30 EGEDLO N#Cc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)c2cccnc12 ZINC001174981034 1385178347 /nfs/dbraw/zinc/17/83/47/1385178347.db2.gz BBXRYQVQORBPJI-UHFFFAOYSA-N 1 2 331.379 3.082 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001317489668 1385189431 /nfs/dbraw/zinc/18/94/31/1385189431.db2.gz BPWXTGMCJRVRRN-UONOGXRCSA-N 1 2 342.817 3.259 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001317489668 1385189434 /nfs/dbraw/zinc/18/94/34/1385189434.db2.gz BPWXTGMCJRVRRN-UONOGXRCSA-N 1 2 342.817 3.259 20 30 EGEDLO COC(=O)c1scc(C#N)c1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175706361 1385379687 /nfs/dbraw/zinc/37/96/87/1385379687.db2.gz OXTXMVGONHOAPN-UHFFFAOYSA-N 1 2 342.302 3.146 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]3OCC[N@@H+](CC=C(C)C)[C@H]3C2)CCCC1 ZINC001177161687 1385840406 /nfs/dbraw/zinc/84/04/06/1385840406.db2.gz FQWIWTVIUDMVAW-OALUTQOASA-N 1 2 346.515 3.391 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]3OCC[N@H+](CC=C(C)C)[C@H]3C2)CCCC1 ZINC001177161687 1385840409 /nfs/dbraw/zinc/84/04/09/1385840409.db2.gz FQWIWTVIUDMVAW-OALUTQOASA-N 1 2 346.515 3.391 20 30 EGEDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)Cc1ccc(F)c(C#N)c1 ZINC001181182626 1386953100 /nfs/dbraw/zinc/95/31/00/1386953100.db2.gz OFSDIIDMOVRULC-UHFFFAOYSA-N 1 2 348.381 3.084 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1cccc(C(F)F)c1 ZINC001322206935 1387102870 /nfs/dbraw/zinc/10/28/70/1387102870.db2.gz XBPQGRAMNNJTLL-LBPRGKRZSA-N 1 2 330.806 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1cccc(C(F)F)c1 ZINC001322206935 1387102867 /nfs/dbraw/zinc/10/28/67/1387102867.db2.gz XBPQGRAMNNJTLL-LBPRGKRZSA-N 1 2 330.806 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCc1cccc(F)c1F ZINC001322311398 1387154545 /nfs/dbraw/zinc/15/45/45/1387154545.db2.gz BFAKEYLURDZEOZ-LBPRGKRZSA-N 1 2 330.806 3.086 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCc1cccc(F)c1F ZINC001322311398 1387154547 /nfs/dbraw/zinc/15/45/47/1387154547.db2.gz BFAKEYLURDZEOZ-LBPRGKRZSA-N 1 2 330.806 3.086 20 30 EGEDLO CCCC(C)(C)C(=O)N[C@@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001330037679 1389290764 /nfs/dbraw/zinc/29/07/64/1389290764.db2.gz BWBHTJVHBWGRRC-AWEZNQCLSA-N 1 2 345.462 3.460 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001340264691 1390260837 /nfs/dbraw/zinc/26/08/37/1390260837.db2.gz SWYXVJDPNDLNCH-JKSUJKDBSA-N 1 2 349.548 3.199 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001340264691 1390260841 /nfs/dbraw/zinc/26/08/41/1390260841.db2.gz SWYXVJDPNDLNCH-JKSUJKDBSA-N 1 2 349.548 3.199 20 30 EGEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001340422569 1390286664 /nfs/dbraw/zinc/28/66/64/1390286664.db2.gz URQFEVKCQUYJHD-SJORKVTESA-N 1 2 329.492 3.219 20 30 EGEDLO CCO[C@H]1C[C@@]([NH2+]CCCCC2(C#N)CCC2)(C(=O)OC)C1(C)C ZINC001333438854 1390304349 /nfs/dbraw/zinc/30/43/49/1390304349.db2.gz FIUXPBAZDCZLQN-HNAYVOBHSA-N 1 2 336.476 3.187 20 30 EGEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H](C)CC1 ZINC001341035784 1390429085 /nfs/dbraw/zinc/42/90/85/1390429085.db2.gz LAWUYURWGWUABY-INIZCTEOSA-N 1 2 344.507 3.017 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(SC(F)(F)F)cc1 ZINC001333986092 1390454607 /nfs/dbraw/zinc/45/46/07/1390454607.db2.gz YUFKNAVDFQRYFE-ZDUSSCGKSA-N 1 2 328.359 3.335 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(SC(F)(F)F)cc1 ZINC001333986092 1390454612 /nfs/dbraw/zinc/45/46/12/1390454612.db2.gz YUFKNAVDFQRYFE-ZDUSSCGKSA-N 1 2 328.359 3.335 20 30 EGEDLO CCCCCC[N@H+](C)CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl ZINC001341804801 1390531300 /nfs/dbraw/zinc/53/13/00/1390531300.db2.gz MBALVLKZMRBILI-CQSZACIVSA-N 1 2 349.862 3.499 20 30 EGEDLO CCCCCC[N@@H+](C)CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl ZINC001341804801 1390531301 /nfs/dbraw/zinc/53/13/01/1390531301.db2.gz MBALVLKZMRBILI-CQSZACIVSA-N 1 2 349.862 3.499 20 30 EGEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(CC)CCCC ZINC001342012832 1390561970 /nfs/dbraw/zinc/56/19/70/1390561970.db2.gz LVRXIJDAJFCCCR-IRXDYDNUSA-N 1 2 347.507 3.016 20 30 EGEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(CC)CCCC ZINC001342012832 1390561974 /nfs/dbraw/zinc/56/19/74/1390561974.db2.gz LVRXIJDAJFCCCR-IRXDYDNUSA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC2(CCC2)C1 ZINC001342327358 1390601222 /nfs/dbraw/zinc/60/12/22/1390601222.db2.gz AVDFBHGWIRXDCR-MRXNPFEDSA-N 1 2 329.492 3.391 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC2(CCC2)C1 ZINC001342327358 1390601224 /nfs/dbraw/zinc/60/12/24/1390601224.db2.gz AVDFBHGWIRXDCR-MRXNPFEDSA-N 1 2 329.492 3.391 20 30 EGEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H](CCC)C1 ZINC001342542970 1390624427 /nfs/dbraw/zinc/62/44/27/1390624427.db2.gz RJZDHUHKQQZVCK-MRXNPFEDSA-N 1 2 342.491 3.195 20 30 EGEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001343314463 1390706742 /nfs/dbraw/zinc/70/67/42/1390706742.db2.gz FXIGUUTUBYROOS-HNNXBMFYSA-N 1 2 342.491 3.051 20 30 EGEDLO C=C(C)Cn1c(Nc2cccc(OC)c2)nnc1[C@@H]1CCC[N@@H+]1C ZINC001343456108 1390715028 /nfs/dbraw/zinc/71/50/28/1390715028.db2.gz AJLUNYFQLBUKDT-INIZCTEOSA-N 1 2 327.432 3.373 20 30 EGEDLO C=C(C)Cn1c(Nc2cccc(OC)c2)nnc1[C@@H]1CCC[N@H+]1C ZINC001343456108 1390715030 /nfs/dbraw/zinc/71/50/30/1390715030.db2.gz AJLUNYFQLBUKDT-INIZCTEOSA-N 1 2 327.432 3.373 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2Cc2ccccc2)nnc1N(C)OC ZINC001343764881 1390735658 /nfs/dbraw/zinc/73/56/58/1390735658.db2.gz KUYRFHGOKHFOLS-KRWDZBQOSA-N 1 2 341.459 3.189 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2Cc2ccccc2)nnc1N(C)OC ZINC001343764881 1390735660 /nfs/dbraw/zinc/73/56/60/1390735660.db2.gz KUYRFHGOKHFOLS-KRWDZBQOSA-N 1 2 341.459 3.189 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N(CCC#N)CC1CC1 ZINC001346626754 1390962590 /nfs/dbraw/zinc/96/25/90/1390962590.db2.gz AOJRSCCLSVIABH-KRWDZBQOSA-N 1 2 342.491 3.141 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(CCC#N)CC1CC1 ZINC001346626754 1390962591 /nfs/dbraw/zinc/96/25/91/1390962591.db2.gz AOJRSCCLSVIABH-KRWDZBQOSA-N 1 2 342.491 3.141 20 30 EGEDLO C=CCC[C@@H]1CCCN1c1nnc([C@H]2CCC[N@H+]2C)n1CC1CC1 ZINC001347967402 1391151979 /nfs/dbraw/zinc/15/19/79/1391151979.db2.gz VEMGDLSVAYEDFL-IAGOWNOFSA-N 1 2 329.492 3.390 20 30 EGEDLO C=CCC[C@@H]1CCCN1c1nnc([C@H]2CCC[N@@H+]2C)n1CC1CC1 ZINC001347967402 1391151981 /nfs/dbraw/zinc/15/19/81/1391151981.db2.gz VEMGDLSVAYEDFL-IAGOWNOFSA-N 1 2 329.492 3.390 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)C(C)(C)C1CC1 ZINC001488650186 1391695019 /nfs/dbraw/zinc/69/50/19/1391695019.db2.gz FCJNKUQTBZBSEA-CQSZACIVSA-N 1 2 331.485 3.089 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)C(C)(C)C1CC1 ZINC001488650186 1391695020 /nfs/dbraw/zinc/69/50/20/1391695020.db2.gz FCJNKUQTBZBSEA-CQSZACIVSA-N 1 2 331.485 3.089 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)C[C@@H](C)CC)CC1 ZINC001479885718 1392458385 /nfs/dbraw/zinc/45/83/85/1392458385.db2.gz BKDQLOMVZOASFR-LBPRGKRZSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)C[C@H](C)CC)CC1 ZINC001479885712 1392458445 /nfs/dbraw/zinc/45/84/45/1392458445.db2.gz BKDQLOMVZOASFR-GFCCVEGCSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)Cc1noc2ccccc21 ZINC001480321195 1392680730 /nfs/dbraw/zinc/68/07/30/1392680730.db2.gz KKYWRNYPKSTXAF-AWEZNQCLSA-N 1 2 347.846 3.094 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)Cc1noc2ccccc21 ZINC001480321195 1392680732 /nfs/dbraw/zinc/68/07/32/1392680732.db2.gz KKYWRNYPKSTXAF-AWEZNQCLSA-N 1 2 347.846 3.094 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001480878341 1392995323 /nfs/dbraw/zinc/99/53/23/1392995323.db2.gz DJIZFDDYPGUWQO-NEPJUHHUSA-N 1 2 326.790 3.156 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001480878341 1392995328 /nfs/dbraw/zinc/99/53/28/1392995328.db2.gz DJIZFDDYPGUWQO-NEPJUHHUSA-N 1 2 326.790 3.156 20 30 EGEDLO Cc1csc(C(=O)NCC[N@H+](Cc2ccccc2C#N)C2CC2)c1 ZINC001481168023 1393140219 /nfs/dbraw/zinc/14/02/19/1393140219.db2.gz JHJYEZZYFRRMIP-UHFFFAOYSA-N 1 2 339.464 3.323 20 30 EGEDLO Cc1csc(C(=O)NCC[N@@H+](Cc2ccccc2C#N)C2CC2)c1 ZINC001481168023 1393140221 /nfs/dbraw/zinc/14/02/21/1393140221.db2.gz JHJYEZZYFRRMIP-UHFFFAOYSA-N 1 2 339.464 3.323 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)CCCC2CCOCC2)C1 ZINC001481769282 1394512556 /nfs/dbraw/zinc/51/25/56/1394512556.db2.gz QSLQIPCTTCDUCE-KRWDZBQOSA-N 1 2 342.911 3.259 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)CCCC2CCOCC2)C1 ZINC001481769282 1394512558 /nfs/dbraw/zinc/51/25/58/1394512558.db2.gz QSLQIPCTTCDUCE-KRWDZBQOSA-N 1 2 342.911 3.259 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)[C@H]1CCC(C)(C)C1 ZINC001698993796 1406787565 /nfs/dbraw/zinc/78/75/65/1406787565.db2.gz DETASXGFWJGGNE-INIZCTEOSA-N 1 2 327.472 3.275 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)[C@H]1CCC(C)(C)C1 ZINC001698993796 1406787567 /nfs/dbraw/zinc/78/75/67/1406787567.db2.gz DETASXGFWJGGNE-INIZCTEOSA-N 1 2 327.472 3.275 20 30 EGEDLO C[C@@H](C#N)C(=O)NCC1C[NH+]([C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC001494537513 1396460678 /nfs/dbraw/zinc/46/06/78/1396460678.db2.gz FUQYHUTVTCFUAP-QWRGUYRKSA-N 1 2 340.254 3.262 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)[C@@H](F)c1ccccc1 ZINC001496792405 1396729223 /nfs/dbraw/zinc/72/92/23/1396729223.db2.gz OTNWXDXCQPITSS-IBGZPJMESA-N 1 2 339.414 3.159 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)[C@@H](F)c1ccccc1 ZINC001496792405 1396729226 /nfs/dbraw/zinc/72/92/26/1396729226.db2.gz OTNWXDXCQPITSS-IBGZPJMESA-N 1 2 339.414 3.159 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC001690037841 1404273839 /nfs/dbraw/zinc/27/38/39/1404273839.db2.gz RIRNMJGBGGVTRC-MRXNPFEDSA-N 1 2 336.838 3.219 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC001690037841 1404273840 /nfs/dbraw/zinc/27/38/40/1404273840.db2.gz RIRNMJGBGGVTRC-MRXNPFEDSA-N 1 2 336.838 3.219 20 30 EGEDLO C[N@H+](CCNC(=O)C1(Cc2ccccc2)CC1)Cc1ccccc1C#N ZINC001690947274 1404856175 /nfs/dbraw/zinc/85/61/75/1404856175.db2.gz JAQXCZFYRGTPRN-UHFFFAOYSA-N 1 2 347.462 3.129 20 30 EGEDLO C[N@@H+](CCNC(=O)C1(Cc2ccccc2)CC1)Cc1ccccc1C#N ZINC001690947274 1404856184 /nfs/dbraw/zinc/85/61/84/1404856184.db2.gz JAQXCZFYRGTPRN-UHFFFAOYSA-N 1 2 347.462 3.129 20 30 EGEDLO C[N@H+](CCNC(=O)c1c(F)cccc1Cl)Cc1ccccc1C#N ZINC001690989734 1404907191 /nfs/dbraw/zinc/90/71/91/1404907191.db2.gz JAPXYVIQMVKYNZ-UHFFFAOYSA-N 1 2 345.805 3.213 20 30 EGEDLO C[N@@H+](CCNC(=O)c1c(F)cccc1Cl)Cc1ccccc1C#N ZINC001690989734 1404907193 /nfs/dbraw/zinc/90/71/93/1404907193.db2.gz JAPXYVIQMVKYNZ-UHFFFAOYSA-N 1 2 345.805 3.213 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cnc(C(C)C)s1)C1CC1 ZINC001691239579 1405178194 /nfs/dbraw/zinc/17/81/94/1405178194.db2.gz UTYZVNFEBABKPJ-UHFFFAOYSA-N 1 2 327.881 3.213 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cnc(C(C)C)s1)C1CC1 ZINC001691239579 1405178195 /nfs/dbraw/zinc/17/81/95/1405178195.db2.gz UTYZVNFEBABKPJ-UHFFFAOYSA-N 1 2 327.881 3.213 20 30 EGEDLO CCCC[C@@](C)(F)C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001692315390 1405934088 /nfs/dbraw/zinc/93/40/88/1405934088.db2.gz RPFKKNOYIYHXIR-LJQANCHMSA-N 1 2 331.435 3.025 20 30 EGEDLO CC[C@H](C)CCC(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001692341985 1405961010 /nfs/dbraw/zinc/96/10/10/1405961010.db2.gz CLVMROXIJDAESQ-AWEZNQCLSA-N 1 2 331.435 3.072 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(CCC)C(=O)CCC2CC2)C1 ZINC001732036374 1428257632 /nfs/dbraw/zinc/25/76/32/1428257632.db2.gz SLSJZGVEPMAZJK-HNNXBMFYSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CCC)C(=O)CCC2CC2)C1 ZINC001732036374 1428257634 /nfs/dbraw/zinc/25/76/34/1428257634.db2.gz SLSJZGVEPMAZJK-HNNXBMFYSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCc1cccc(Cl)c1 ZINC001699454796 1412798825 /nfs/dbraw/zinc/79/88/25/1412798825.db2.gz XZTRKUBEAAOZDR-CYBMUJFWSA-N 1 2 329.271 3.462 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCc1cccc(Cl)c1 ZINC001699454796 1412798828 /nfs/dbraw/zinc/79/88/28/1412798828.db2.gz XZTRKUBEAAOZDR-CYBMUJFWSA-N 1 2 329.271 3.462 20 30 EGEDLO CCC(C)(C)CC(=O)N(C)CC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001732583509 1428793348 /nfs/dbraw/zinc/79/33/48/1428793348.db2.gz WHXZJNUKDAQWAX-UHFFFAOYSA-N 1 2 333.451 3.414 20 30 EGEDLO CCC(C)(C)CC(=O)N(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001732583509 1428793352 /nfs/dbraw/zinc/79/33/52/1428793352.db2.gz WHXZJNUKDAQWAX-UHFFFAOYSA-N 1 2 333.451 3.414 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)C1(C)CCCC1 ZINC001707046215 1417157855 /nfs/dbraw/zinc/15/78/55/1417157855.db2.gz FHXJZPMMJTWRNT-KRWDZBQOSA-N 1 2 343.446 3.310 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)C1(C)CCCC1 ZINC001707046215 1417157857 /nfs/dbraw/zinc/15/78/57/1417157857.db2.gz FHXJZPMMJTWRNT-KRWDZBQOSA-N 1 2 343.446 3.310 20 30 EGEDLO CCCN(C(=O)[C@@H](C)C#N)C1CC[NH+](Cc2csc(CC)n2)CC1 ZINC001713099100 1417649360 /nfs/dbraw/zinc/64/93/60/1417649360.db2.gz CWYLKFONXDXVGS-AWEZNQCLSA-N 1 2 348.516 3.068 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)CCc1ccc(F)cc1 ZINC001713253330 1417847643 /nfs/dbraw/zinc/84/76/43/1417847643.db2.gz QBGABXHZUBPUAY-QGZVFWFLSA-N 1 2 338.854 3.482 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCc1ccc(F)cc1 ZINC001713253330 1417847647 /nfs/dbraw/zinc/84/76/47/1417847647.db2.gz QBGABXHZUBPUAY-QGZVFWFLSA-N 1 2 338.854 3.482 20 30 EGEDLO C[C@H](CC(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1)C1CC1 ZINC001713566098 1418378150 /nfs/dbraw/zinc/37/81/50/1418378150.db2.gz MEBJBFFFMSSBFC-OAHLLOKOSA-N 1 2 325.456 3.075 20 30 EGEDLO C[C@H](CC(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1)C1CC1 ZINC001713566098 1418378153 /nfs/dbraw/zinc/37/81/53/1418378153.db2.gz MEBJBFFFMSSBFC-OAHLLOKOSA-N 1 2 325.456 3.075 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001713801352 1418616194 /nfs/dbraw/zinc/61/61/94/1418616194.db2.gz QKMPNMCSUGEGLC-SFHVURJKSA-N 1 2 325.456 3.241 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001713801352 1418616198 /nfs/dbraw/zinc/61/61/98/1418616198.db2.gz QKMPNMCSUGEGLC-SFHVURJKSA-N 1 2 325.456 3.241 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1sc(C2CC2)nc1C)C1CC1 ZINC001714665726 1419454144 /nfs/dbraw/zinc/45/41/44/1419454144.db2.gz OVNKSNCYPNZMDO-UHFFFAOYSA-N 1 2 339.892 3.276 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1sc(C2CC2)nc1C)C1CC1 ZINC001714665726 1419454145 /nfs/dbraw/zinc/45/41/45/1419454145.db2.gz OVNKSNCYPNZMDO-UHFFFAOYSA-N 1 2 339.892 3.276 20 30 EGEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)C(C1CC1)C1CC1)C1CC1 ZINC001714672350 1419462681 /nfs/dbraw/zinc/46/26/81/1419462681.db2.gz AWJRKVBPJVANMK-UHFFFAOYSA-N 1 2 337.467 3.075 20 30 EGEDLO N#Cc1ccccc1C[N@H+](CCNC(=O)C(C1CC1)C1CC1)C1CC1 ZINC001714672350 1419462682 /nfs/dbraw/zinc/46/26/82/1419462682.db2.gz AWJRKVBPJVANMK-UHFFFAOYSA-N 1 2 337.467 3.075 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CCCc2cccs2)C1 ZINC001715032905 1419765769 /nfs/dbraw/zinc/76/57/69/1419765769.db2.gz TWFCPZYUWMVUOS-AWEZNQCLSA-N 1 2 326.893 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CCCc2cccs2)C1 ZINC001715032905 1419765770 /nfs/dbraw/zinc/76/57/70/1419765770.db2.gz TWFCPZYUWMVUOS-AWEZNQCLSA-N 1 2 326.893 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)c1c(F)cccc1F ZINC001715523193 1420211122 /nfs/dbraw/zinc/21/11/22/1420211122.db2.gz IMDMJGBNCSZNSD-LBPRGKRZSA-N 1 2 330.806 3.211 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](C)c1c(F)cccc1F ZINC001715523193 1420211124 /nfs/dbraw/zinc/21/11/24/1420211124.db2.gz IMDMJGBNCSZNSD-LBPRGKRZSA-N 1 2 330.806 3.211 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@@H](C)c1ccccc1F ZINC001715532676 1420223606 /nfs/dbraw/zinc/22/36/06/1420223606.db2.gz NOPUUEFVSXJJHA-CYBMUJFWSA-N 1 2 326.843 3.462 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@@H](C)c1ccccc1F ZINC001715532676 1420223608 /nfs/dbraw/zinc/22/36/08/1420223608.db2.gz NOPUUEFVSXJJHA-CYBMUJFWSA-N 1 2 326.843 3.462 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1coc2cc(F)ccc12 ZINC001715826255 1420358508 /nfs/dbraw/zinc/35/85/08/1420358508.db2.gz BUSGLYLBYYMLHP-UHFFFAOYSA-N 1 2 338.810 3.257 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1coc2cc(F)ccc12 ZINC001715826255 1420358510 /nfs/dbraw/zinc/35/85/10/1420358510.db2.gz BUSGLYLBYYMLHP-UHFFFAOYSA-N 1 2 338.810 3.257 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)COc2cc(C)cc(C)c2)C1 ZINC001724187442 1424719838 /nfs/dbraw/zinc/71/98/38/1424719838.db2.gz ASGZQUUSYOCTFE-SFHVURJKSA-N 1 2 336.863 3.015 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)COc2cc(C)cc(C)c2)C1 ZINC001724187442 1424719841 /nfs/dbraw/zinc/71/98/41/1424719841.db2.gz ASGZQUUSYOCTFE-SFHVURJKSA-N 1 2 336.863 3.015 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CCC2CC2)C[C@@H]1C ZINC001724987828 1425387372 /nfs/dbraw/zinc/38/73/72/1425387372.db2.gz CLHDNXJNWNWSLT-JSGCOSHPSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CCC2CC2)C[C@@H]1C ZINC001724987828 1425387378 /nfs/dbraw/zinc/38/73/78/1425387378.db2.gz CLHDNXJNWNWSLT-JSGCOSHPSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)COc2ccc(C(C)C)cc2)C1 ZINC001731373260 1427302907 /nfs/dbraw/zinc/30/29/07/1427302907.db2.gz MWHSGIFQGCCUJR-MRXNPFEDSA-N 1 2 336.863 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)COc2ccc(C(C)C)cc2)C1 ZINC001731373260 1427302915 /nfs/dbraw/zinc/30/29/15/1427302915.db2.gz MWHSGIFQGCCUJR-MRXNPFEDSA-N 1 2 336.863 3.132 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CCc1ncc(C(C)(C)C)o1 ZINC001731805321 1427975434 /nfs/dbraw/zinc/97/54/34/1427975434.db2.gz XFPQBIFWZVSQAP-UHFFFAOYSA-N 1 2 341.883 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CCc1ncc(C(C)(C)C)o1 ZINC001731805321 1427975438 /nfs/dbraw/zinc/97/54/38/1427975438.db2.gz XFPQBIFWZVSQAP-UHFFFAOYSA-N 1 2 341.883 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cc1ccc(Cl)c(F)c1)C1CC1 ZINC001731883094 1428155306 /nfs/dbraw/zinc/15/53/06/1428155306.db2.gz ZMQGVNIAKDRDIC-UHFFFAOYSA-N 1 2 345.245 3.355 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)Cc1ccc(Cl)c(F)c1)C1CC1 ZINC001731883094 1428155308 /nfs/dbraw/zinc/15/53/08/1428155308.db2.gz ZMQGVNIAKDRDIC-UHFFFAOYSA-N 1 2 345.245 3.355 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)[C@@H](C)C(C)(C)C ZINC001733774578 1430015990 /nfs/dbraw/zinc/01/59/90/1430015990.db2.gz XESUQQSKUISDCP-CYBMUJFWSA-N 1 2 333.314 3.358 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)[C@@H](C)C(C)(C)C ZINC001733774578 1430015994 /nfs/dbraw/zinc/01/59/94/1430015994.db2.gz XESUQQSKUISDCP-CYBMUJFWSA-N 1 2 333.314 3.358 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)C1CC1 ZINC001733931973 1437745315 /nfs/dbraw/zinc/74/53/15/1437745315.db2.gz BWPQRUOBUPNPPH-AWEZNQCLSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)C1CC1 ZINC001733931973 1437745313 /nfs/dbraw/zinc/74/53/13/1437745313.db2.gz BWPQRUOBUPNPPH-AWEZNQCLSA-N 1 2 343.309 3.254 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC[N@@H+]([C@H](C)c1nnc(C)s1)C1CC1 ZINC001752267160 1440162689 /nfs/dbraw/zinc/16/26/89/1440162689.db2.gz FAPWJJWPKGKNKW-GFCCVEGCSA-N 1 2 336.505 3.090 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC[N@H+]([C@H](C)c1nnc(C)s1)C1CC1 ZINC001752267160 1440162691 /nfs/dbraw/zinc/16/26/91/1440162691.db2.gz FAPWJJWPKGKNKW-GFCCVEGCSA-N 1 2 336.505 3.090 20 30 EGEDLO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001752386817 1440173203 /nfs/dbraw/zinc/17/32/03/1440173203.db2.gz FULHBFQTVQMVRF-ZFWWWQNUSA-N 1 2 334.410 3.266 20 30 EGEDLO C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001752386817 1440173204 /nfs/dbraw/zinc/17/32/04/1440173204.db2.gz FULHBFQTVQMVRF-ZFWWWQNUSA-N 1 2 334.410 3.266 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N(CCC)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001752439558 1440180924 /nfs/dbraw/zinc/18/09/24/1440180924.db2.gz JSYZQESJHYKRBG-KRWDZBQOSA-N 1 2 346.519 3.225 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)c2nnc(CC(C)C)o2)C1 ZINC001752571921 1440195502 /nfs/dbraw/zinc/19/55/02/1440195502.db2.gz RGUUQIOOASMZNH-CABCVRRESA-N 1 2 348.491 3.122 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1F ZINC001752816081 1440218124 /nfs/dbraw/zinc/21/81/24/1440218124.db2.gz KYAMJELDAZGGCA-IUODEOHRSA-N 1 2 337.826 3.109 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1F ZINC001752816081 1440218125 /nfs/dbraw/zinc/21/81/25/1440218125.db2.gz KYAMJELDAZGGCA-IUODEOHRSA-N 1 2 337.826 3.109 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=C)Br ZINC001752821753 1440221088 /nfs/dbraw/zinc/22/10/88/1440221088.db2.gz RWFUYLXUEUWWQW-CQSZACIVSA-N 1 2 329.282 3.222 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=C)Br ZINC001752821753 1440221089 /nfs/dbraw/zinc/22/10/89/1440221089.db2.gz RWFUYLXUEUWWQW-CQSZACIVSA-N 1 2 329.282 3.222 20 30 EGEDLO CC/C=C(\C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001752844318 1440231963 /nfs/dbraw/zinc/23/19/63/1440231963.db2.gz ZHJPCNRTEUXBOY-XYNFXWEVSA-N 1 2 342.870 3.094 20 30 EGEDLO CC/C=C(\C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001752844318 1440231964 /nfs/dbraw/zinc/23/19/64/1440231964.db2.gz ZHJPCNRTEUXBOY-XYNFXWEVSA-N 1 2 342.870 3.094 20 30 EGEDLO C#CCCCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC001752989627 1440259313 /nfs/dbraw/zinc/25/93/13/1440259313.db2.gz IIFHRRIFBNNTID-MRXNPFEDSA-N 1 2 331.460 3.024 20 30 EGEDLO C#CCCCC(=O)N1CCC[C@@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC001752989627 1440259314 /nfs/dbraw/zinc/25/93/14/1440259314.db2.gz IIFHRRIFBNNTID-MRXNPFEDSA-N 1 2 331.460 3.024 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]([N@H+](C)Cc2ncc(C)s2)C1 ZINC001752992754 1440260241 /nfs/dbraw/zinc/26/02/41/1440260241.db2.gz SELGBNDDHJXVDJ-HNNXBMFYSA-N 1 2 335.517 3.477 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ncc(C)s2)C1 ZINC001752992754 1440260242 /nfs/dbraw/zinc/26/02/42/1440260242.db2.gz SELGBNDDHJXVDJ-HNNXBMFYSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CCCNC(=O)C(F)C(F)(F)F ZINC001753027065 1440271822 /nfs/dbraw/zinc/27/18/22/1440271822.db2.gz CFOFBCLMAOVQFK-QWRGUYRKSA-N 1 2 330.753 3.000 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C(F)C(F)(F)F ZINC001753027065 1440271823 /nfs/dbraw/zinc/27/18/23/1440271823.db2.gz CFOFBCLMAOVQFK-QWRGUYRKSA-N 1 2 330.753 3.000 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H](F)C(F)(F)F ZINC001753027065 1440271824 /nfs/dbraw/zinc/27/18/24/1440271824.db2.gz CFOFBCLMAOVQFK-QWRGUYRKSA-N 1 2 330.753 3.000 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](F)C(F)(F)F ZINC001753027065 1440271825 /nfs/dbraw/zinc/27/18/25/1440271825.db2.gz CFOFBCLMAOVQFK-QWRGUYRKSA-N 1 2 330.753 3.000 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(C(C)(C)C)on1 ZINC001753109316 1440307861 /nfs/dbraw/zinc/30/78/61/1440307861.db2.gz BZQZDXZTSDLRFT-INIZCTEOSA-N 1 2 333.476 3.409 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(C(C)(C)C)on1 ZINC001753109316 1440307862 /nfs/dbraw/zinc/30/78/62/1440307862.db2.gz BZQZDXZTSDLRFT-INIZCTEOSA-N 1 2 333.476 3.409 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1cccc(Cl)n1 ZINC001753110174 1440308158 /nfs/dbraw/zinc/30/81/58/1440308158.db2.gz XXSSBZVSYXMHCG-KRWDZBQOSA-N 1 2 347.890 3.399 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)n1 ZINC001753110174 1440308159 /nfs/dbraw/zinc/30/81/59/1440308159.db2.gz XXSSBZVSYXMHCG-KRWDZBQOSA-N 1 2 347.890 3.399 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2ccc3c(c2)COC3)C1 ZINC001753320152 1440363018 /nfs/dbraw/zinc/36/30/18/1440363018.db2.gz UOIJDLNOPSNANO-GOSISDBHSA-N 1 2 348.874 3.396 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccc3c(c2)COC3)C1 ZINC001753320152 1440363019 /nfs/dbraw/zinc/36/30/19/1440363019.db2.gz UOIJDLNOPSNANO-GOSISDBHSA-N 1 2 348.874 3.396 20 30 EGEDLO CC1(CC(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)CCCC1 ZINC001753401903 1440391123 /nfs/dbraw/zinc/39/11/23/1440391123.db2.gz VIMSAEFBERYHEJ-UHFFFAOYSA-N 1 2 325.456 3.077 20 30 EGEDLO C#CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C)cc1Cl ZINC001753420333 1440395133 /nfs/dbraw/zinc/39/51/33/1440395133.db2.gz SVVCKUIHPVCKER-IRXDYDNUSA-N 1 2 330.859 3.237 20 30 EGEDLO C#CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C)cc1Cl ZINC001753420333 1440395134 /nfs/dbraw/zinc/39/51/34/1440395134.db2.gz SVVCKUIHPVCKER-IRXDYDNUSA-N 1 2 330.859 3.237 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)CC(F)(F)C(F)(F)F)C1 ZINC001753463246 1440411984 /nfs/dbraw/zinc/41/19/84/1440411984.db2.gz FKJKOYVUJNJDPY-JTQLQIEISA-N 1 2 348.743 3.249 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)CC(F)(F)C(F)(F)F)C1 ZINC001753463246 1440411985 /nfs/dbraw/zinc/41/19/85/1440411985.db2.gz FKJKOYVUJNJDPY-JTQLQIEISA-N 1 2 348.743 3.249 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](CC)[NH2+]Cc1nnc(C(F)F)s1 ZINC001753481820 1440416793 /nfs/dbraw/zinc/41/67/93/1440416793.db2.gz YYHQNEHMBSQHMM-SNVBAGLBSA-N 1 2 346.447 3.062 20 30 EGEDLO C=C(C)CCC(=O)N[C@@]1(C[NH2+]Cc2noc(CC)n2)CCCC[C@@H]1C ZINC001753533924 1440431872 /nfs/dbraw/zinc/43/18/72/1440431872.db2.gz NEKFVPULCPQNFV-HNAYVOBHSA-N 1 2 348.491 3.143 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1C[N@H+](Cc2ccc(C)c(C)c2)CCO1 ZINC001753652385 1440456602 /nfs/dbraw/zinc/45/66/02/1440456602.db2.gz HBQZQTWFZGDVDR-FPOVZHCZSA-N 1 2 344.499 3.223 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)c(C)c2)CCO1 ZINC001753652385 1440456603 /nfs/dbraw/zinc/45/66/03/1440456603.db2.gz HBQZQTWFZGDVDR-FPOVZHCZSA-N 1 2 344.499 3.223 20 30 EGEDLO CCC[C@@H](C)CC(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001753848386 1440505623 /nfs/dbraw/zinc/50/56/23/1440505623.db2.gz CKGWDVUPLXRIOC-OAHLLOKOSA-N 1 2 333.451 3.414 20 30 EGEDLO CCC[C@@H](C)CC(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001753848386 1440505624 /nfs/dbraw/zinc/50/56/24/1440505624.db2.gz CKGWDVUPLXRIOC-OAHLLOKOSA-N 1 2 333.451 3.414 20 30 EGEDLO C#Cc1ccc(C(=O)N(C)CC[N@H+](C)Cc2cc(F)ccc2F)cc1 ZINC001753858516 1440510249 /nfs/dbraw/zinc/51/02/49/1440510249.db2.gz FGXGQPOTKGSROO-UHFFFAOYSA-N 1 2 342.389 3.150 20 30 EGEDLO C#Cc1ccc(C(=O)N(C)CC[N@@H+](C)Cc2cc(F)ccc2F)cc1 ZINC001753858516 1440510250 /nfs/dbraw/zinc/51/02/50/1440510250.db2.gz FGXGQPOTKGSROO-UHFFFAOYSA-N 1 2 342.389 3.150 20 30 EGEDLO C=CCC1(C(=O)N[C@H](C)C[NH2+]Cc2nnc(C3CC3)o2)CCCCC1 ZINC001754254460 1440558660 /nfs/dbraw/zinc/55/86/60/1440558660.db2.gz CEAGAQRZJKHUPL-CQSZACIVSA-N 1 2 346.475 3.068 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H](C)C[N@H+](C)Cc2cc(F)ccc2C#N)CC1 ZINC001754322249 1440578443 /nfs/dbraw/zinc/57/84/43/1440578443.db2.gz BFALKTDSASTFNF-HNNXBMFYSA-N 1 2 343.446 3.380 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H](C)C[N@@H+](C)Cc2cc(F)ccc2C#N)CC1 ZINC001754322249 1440578444 /nfs/dbraw/zinc/57/84/44/1440578444.db2.gz BFALKTDSASTFNF-HNNXBMFYSA-N 1 2 343.446 3.380 20 30 EGEDLO C#CCC1(C(=O)N[C@H](C)C[N@H+](C)[C@@H](C)c2ncc(C)o2)CCCCC1 ZINC001754336240 1440586699 /nfs/dbraw/zinc/58/66/99/1440586699.db2.gz KIRYNOZXWYKDQB-WBVHZDCISA-N 1 2 345.487 3.454 20 30 EGEDLO C#CCC1(C(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)c2ncc(C)o2)CCCCC1 ZINC001754336240 1440586700 /nfs/dbraw/zinc/58/67/00/1440586700.db2.gz KIRYNOZXWYKDQB-WBVHZDCISA-N 1 2 345.487 3.454 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(Cl)c1 ZINC001754475451 1440606427 /nfs/dbraw/zinc/60/64/27/1440606427.db2.gz OMXCUNYDCCBLAB-WMLDXEAASA-N 1 2 336.863 3.012 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(Cl)c1 ZINC001754475451 1440606428 /nfs/dbraw/zinc/60/64/28/1440606428.db2.gz OMXCUNYDCCBLAB-WMLDXEAASA-N 1 2 336.863 3.012 20 30 EGEDLO C=CCCCC(=O)N(C)C1C[NH+](CCOc2c(C)cccc2C)C1 ZINC001754580544 1440638651 /nfs/dbraw/zinc/63/86/51/1440638651.db2.gz DHDAOTYPNZASLW-UHFFFAOYSA-N 1 2 330.472 3.181 20 30 EGEDLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@](C)(NC(=O)C#CC2CC2)C1 ZINC001754669929 1440657741 /nfs/dbraw/zinc/65/77/41/1440657741.db2.gz IPRLFDWHDHMNDE-XOBRGWDASA-N 1 2 343.471 3.027 20 30 EGEDLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@](C)(NC(=O)C#CC2CC2)C1 ZINC001754669929 1440657742 /nfs/dbraw/zinc/65/77/42/1440657742.db2.gz IPRLFDWHDHMNDE-XOBRGWDASA-N 1 2 343.471 3.027 20 30 EGEDLO CC(C)C#CC(=O)N[C@@]1(C)CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC001754671205 1440657895 /nfs/dbraw/zinc/65/78/95/1440657895.db2.gz WHGVXSZSGDXPIW-SFHVURJKSA-N 1 2 336.838 3.219 20 30 EGEDLO CC(C)C#CC(=O)N[C@@]1(C)CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC001754671205 1440657896 /nfs/dbraw/zinc/65/78/96/1440657896.db2.gz WHGVXSZSGDXPIW-SFHVURJKSA-N 1 2 336.838 3.219 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@]1(C)CC[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001754678563 1440661196 /nfs/dbraw/zinc/66/11/96/1440661196.db2.gz TWRWCFZGNWWRJH-QFBILLFUSA-N 1 2 332.492 3.147 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@]1(C)CC[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001754678563 1440661197 /nfs/dbraw/zinc/66/11/97/1440661197.db2.gz TWRWCFZGNWWRJH-QFBILLFUSA-N 1 2 332.492 3.147 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCOC2(C[NH+](CC/C=C/CCC)C2)C1 ZINC001755052067 1440743126 /nfs/dbraw/zinc/74/31/26/1440743126.db2.gz OWWSEJJOSFCSFM-CMDGGOBGSA-N 1 2 334.504 3.248 20 30 EGEDLO CCCC[C@@H](C)C(=O)NCc1ccc2c(c1)C[N@@H+](CC#CCOC)C2 ZINC001755101056 1440752430 /nfs/dbraw/zinc/75/24/30/1440752430.db2.gz PQTVIOZYDFXAHD-QGZVFWFLSA-N 1 2 342.483 3.095 20 30 EGEDLO CCCC[C@@H](C)C(=O)NCc1ccc2c(c1)C[N@H+](CC#CCOC)C2 ZINC001755101056 1440752431 /nfs/dbraw/zinc/75/24/31/1440752431.db2.gz PQTVIOZYDFXAHD-QGZVFWFLSA-N 1 2 342.483 3.095 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)C3(Cc4ccccc4)CC3)cc2C1 ZINC001755101911 1440752917 /nfs/dbraw/zinc/75/29/17/1440752917.db2.gz ATHDNHMPCMPQEX-UHFFFAOYSA-N 1 2 344.458 3.275 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)C3(Cc4ccccc4)CC3)cc2C1 ZINC001755101911 1440752918 /nfs/dbraw/zinc/75/29/18/1440752918.db2.gz ATHDNHMPCMPQEX-UHFFFAOYSA-N 1 2 344.458 3.275 20 30 EGEDLO CC[C@H](F)C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)CC1(C)C ZINC001755140979 1440760401 /nfs/dbraw/zinc/76/04/01/1440760401.db2.gz JZFBFZZQZAVUNP-IRXDYDNUSA-N 1 2 349.425 3.162 20 30 EGEDLO CC[C@H](F)C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)CC1(C)C ZINC001755140979 1440760402 /nfs/dbraw/zinc/76/04/02/1440760402.db2.gz JZFBFZZQZAVUNP-IRXDYDNUSA-N 1 2 349.425 3.162 20 30 EGEDLO CC(C)=CC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@H](C)C1 ZINC001755157742 1440763587 /nfs/dbraw/zinc/76/35/87/1440763587.db2.gz MCYUPEACJHDAAL-KDOFPFPSSA-N 1 2 329.419 3.133 20 30 EGEDLO CC(C)=CC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@H](C)C1 ZINC001755157742 1440763588 /nfs/dbraw/zinc/76/35/88/1440763588.db2.gz MCYUPEACJHDAAL-KDOFPFPSSA-N 1 2 329.419 3.133 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3cnns3)[C@@H](C)C2)CCCC1 ZINC001755165699 1440767057 /nfs/dbraw/zinc/76/70/57/1440767057.db2.gz QFOSFZMGLOEZRU-GJZGRUSLSA-N 1 2 348.516 3.144 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3cnns3)[C@@H](C)C2)CCCC1 ZINC001755165699 1440767058 /nfs/dbraw/zinc/76/70/58/1440767058.db2.gz QFOSFZMGLOEZRU-GJZGRUSLSA-N 1 2 348.516 3.144 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccn(CC)n2)CCCCC1 ZINC001755329324 1440823751 /nfs/dbraw/zinc/82/37/51/1440823751.db2.gz YJNUDPHSHHEJBJ-QGZVFWFLSA-N 1 2 346.519 3.366 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccn(CC)n2)CCCCC1 ZINC001755329324 1440823752 /nfs/dbraw/zinc/82/37/52/1440823752.db2.gz YJNUDPHSHHEJBJ-QGZVFWFLSA-N 1 2 346.519 3.366 20 30 EGEDLO C=C/C(C)=C\CC(=O)N[C@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001755384210 1440840041 /nfs/dbraw/zinc/84/00/41/1440840041.db2.gz MZNKDWRHHMJFBA-NUKWSGDCSA-N 1 2 341.430 3.156 20 30 EGEDLO C=CCC1(C(=O)N[C@H](C)C2C[NH+](Cc3ccns3)C2)CCCC1 ZINC001755391715 1440842230 /nfs/dbraw/zinc/84/22/30/1440842230.db2.gz JZWHPCDECBQVSI-CQSZACIVSA-N 1 2 333.501 3.216 20 30 EGEDLO C=CCCC(=O)N[C@H]1C[N@@H+](Cc2cc(-c3ccco3)on2)CC1(C)C ZINC001755405524 1440844087 /nfs/dbraw/zinc/84/40/87/1440844087.db2.gz GWWRFVCXJPZOOU-KRWDZBQOSA-N 1 2 343.427 3.227 20 30 EGEDLO C=CCCC(=O)N[C@H]1C[N@H+](Cc2cc(-c3ccco3)on2)CC1(C)C ZINC001755405524 1440844088 /nfs/dbraw/zinc/84/40/88/1440844088.db2.gz GWWRFVCXJPZOOU-KRWDZBQOSA-N 1 2 343.427 3.227 20 30 EGEDLO C=CCC1(C(=O)N(C)C[C@H](C)[NH2+][C@H](C)c2nc(C)no2)CCCCC1 ZINC001755618020 1440889444 /nfs/dbraw/zinc/88/94/44/1440889444.db2.gz HRRZTYSSAXJDLF-LSDHHAIUSA-N 1 2 348.491 3.402 20 30 EGEDLO C=CCCCC(=O)N1C[C@@H]([NH2+]Cc2nc(C3CCCC3)no2)C[C@H]1C ZINC001755681390 1440895203 /nfs/dbraw/zinc/89/52/03/1440895203.db2.gz LOXOPMMWYAZFSY-ZBFHGGJFSA-N 1 2 346.475 3.163 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccn(C(C)C)n2)[C@@H]1C ZINC001755717729 1440905829 /nfs/dbraw/zinc/90/58/29/1440905829.db2.gz IDMAEDQHFUMSCN-SJLPKXTDSA-N 1 2 332.492 3.289 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccn(C(C)C)n2)[C@@H]1C ZINC001755717729 1440905830 /nfs/dbraw/zinc/90/58/30/1440905830.db2.gz IDMAEDQHFUMSCN-SJLPKXTDSA-N 1 2 332.492 3.289 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)c1scnc1CC)C(C)C ZINC001755813691 1440921995 /nfs/dbraw/zinc/92/19/95/1440921995.db2.gz XERKFUVFJJDBSZ-UHFFFAOYSA-N 1 2 329.897 3.240 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)c1scnc1CC)C(C)C ZINC001755813691 1440921994 /nfs/dbraw/zinc/92/19/94/1440921994.db2.gz XERKFUVFJJDBSZ-UHFFFAOYSA-N 1 2 329.897 3.240 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)[C@H]1CCO[C@@H](CC)C1)C(C)C ZINC001755817711 1440924540 /nfs/dbraw/zinc/92/45/40/1440924540.db2.gz WBGITPBKXFKVMY-HOTGVXAUSA-N 1 2 330.900 3.113 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)[C@H]1CCO[C@@H](CC)C1)C(C)C ZINC001755817711 1440924541 /nfs/dbraw/zinc/92/45/41/1440924541.db2.gz WBGITPBKXFKVMY-HOTGVXAUSA-N 1 2 330.900 3.113 20 30 EGEDLO C=CCCC(=O)N(C)C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001756363229 1441007344 /nfs/dbraw/zinc/00/73/44/1441007344.db2.gz RZMOXQAPVIPICI-UHFFFAOYSA-N 1 2 343.471 3.036 20 30 EGEDLO C=CC[NH+]1CCN(c2cnc(Cl)nc2Oc2ccc(F)cc2)CC1 ZINC001165032459 721870962 /nfs/dbraw/zinc/87/09/62/721870962.db2.gz TZMVXMSQSZRTBA-UHFFFAOYSA-N 1 2 348.809 3.369 20 30 EGEDLO C=CC[NH+]1CCN(C(F)(F)c2cccc3c(Cl)ncnc32)CC1 ZINC001165032408 721871311 /nfs/dbraw/zinc/87/13/11/721871311.db2.gz QVOQBUNCAZIOHP-UHFFFAOYSA-N 1 2 338.789 3.136 20 30 EGEDLO C#CCCCCNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000268208449 201225588 /nfs/dbraw/zinc/22/55/88/201225588.db2.gz ILYUYHGDEJFSEU-MRXNPFEDSA-N 1 2 329.444 3.005 20 30 EGEDLO C#CC[N@@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)C1CC1 ZINC000274039339 201265961 /nfs/dbraw/zinc/26/59/61/201265961.db2.gz FCIXPFOOYFLFEZ-UHFFFAOYSA-N 1 2 325.393 3.255 20 30 EGEDLO C#CC[N@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)C1CC1 ZINC000274039339 201265963 /nfs/dbraw/zinc/26/59/63/201265963.db2.gz FCIXPFOOYFLFEZ-UHFFFAOYSA-N 1 2 325.393 3.255 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(C(F)(F)F)CC2)c(C#N)c1C ZINC000072801899 203244717 /nfs/dbraw/zinc/24/47/17/203244717.db2.gz CUYXBSGTOOZJSB-SNVBAGLBSA-N 1 2 343.349 3.369 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCc3ccsc3C2)c(C#N)c1C ZINC000132649744 205335247 /nfs/dbraw/zinc/33/52/47/205335247.db2.gz QCZYHLMJXBCKRF-NSHDSACASA-N 1 2 329.425 3.215 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCc3ccsc3C2)c(C#N)c1C ZINC000132649744 205335251 /nfs/dbraw/zinc/33/52/51/205335251.db2.gz QCZYHLMJXBCKRF-NSHDSACASA-N 1 2 329.425 3.215 20 30 EGEDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2ccc(C#N)cn2)c2ccc(Cl)cc2)C1 ZINC000301904973 258016841 /nfs/dbraw/zinc/01/68/41/258016841.db2.gz YIVGOFWZOUSFFA-AEFFLSMTSA-N 1 2 342.830 3.090 20 30 EGEDLO C[N@H+]1CCO[C@@H]([C@@H](Nc2ccc(C#N)cn2)c2ccc(Cl)cc2)C1 ZINC000301904973 258016842 /nfs/dbraw/zinc/01/68/42/258016842.db2.gz YIVGOFWZOUSFFA-AEFFLSMTSA-N 1 2 342.830 3.090 20 30 EGEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000347953892 141224457 /nfs/dbraw/zinc/22/44/57/141224457.db2.gz GWFSGRDBQRXCNT-UHFFFAOYSA-N 1 2 335.382 3.425 20 30 EGEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000347953892 141224459 /nfs/dbraw/zinc/22/44/59/141224459.db2.gz GWFSGRDBQRXCNT-UHFFFAOYSA-N 1 2 335.382 3.425 20 30 EGEDLO N#Cc1ccc(Oc2cccc(C(=O)NCCc3[nH]cc[nH+]3)c2)cc1 ZINC000172990528 144033025 /nfs/dbraw/zinc/03/30/25/144033025.db2.gz UMQXDIBOTHHTHC-UHFFFAOYSA-N 1 2 332.363 3.046 20 30 EGEDLO COc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000341210667 155208332 /nfs/dbraw/zinc/20/83/32/155208332.db2.gz MZLUXTVWWRKLEU-CYBMUJFWSA-N 1 2 334.379 3.468 20 30 EGEDLO COc1ccc(C#N)cc1NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000267985024 286270802 /nfs/dbraw/zinc/27/08/02/286270802.db2.gz IJZRHGWWFKCDSW-CQSZACIVSA-N 1 2 325.372 3.049 20 30 EGEDLO COc1ccc2c(c1OC)CC[N@@H+](Cc1cc(C#N)ccc1F)C2 ZINC000341002520 155121598 /nfs/dbraw/zinc/12/15/98/155121598.db2.gz VODAOCWITPTBMH-UHFFFAOYSA-N 1 2 326.371 3.273 20 30 EGEDLO COc1ccc2c(c1OC)CC[N@H+](Cc1cc(C#N)ccc1F)C2 ZINC000341002520 155121600 /nfs/dbraw/zinc/12/16/00/155121600.db2.gz VODAOCWITPTBMH-UHFFFAOYSA-N 1 2 326.371 3.273 20 30 EGEDLO COc1cc(C[N@H+](CC(=O)N2CCCCCC2)C(C)C)ccc1C#N ZINC000348851369 156262846 /nfs/dbraw/zinc/26/28/46/156262846.db2.gz ZBZKUPUUICTKCY-UHFFFAOYSA-N 1 2 343.471 3.180 20 30 EGEDLO COc1cc(C[N@@H+](CC(=O)N2CCCCCC2)C(C)C)ccc1C#N ZINC000348851369 156262856 /nfs/dbraw/zinc/26/28/56/156262856.db2.gz ZBZKUPUUICTKCY-UHFFFAOYSA-N 1 2 343.471 3.180 20 30 EGEDLO N#Cc1ccc(N2CC[C@@H](Sc3[nH+]cc4ccccn43)C2=O)cc1 ZINC000125981370 162290451 /nfs/dbraw/zinc/29/04/51/162290451.db2.gz ARRRVIHNZZNKJX-MRXNPFEDSA-N 1 2 334.404 3.104 20 30 EGEDLO COc1cc(N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)ccc1F ZINC000338633840 163298699 /nfs/dbraw/zinc/29/86/99/163298699.db2.gz RQZVTOYMEHGZIS-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO Cn1cc[nH+]c1CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000344091808 164101517 /nfs/dbraw/zinc/10/15/17/164101517.db2.gz OLSDZNWRSQOROQ-UHFFFAOYSA-N 1 2 347.378 3.406 20 30 EGEDLO CCOc1ccccc1C[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000352191117 165277215 /nfs/dbraw/zinc/27/72/15/165277215.db2.gz RBMFTQWJTJLWBP-UHFFFAOYSA-N 1 2 342.468 3.044 20 30 EGEDLO Cc1nc(NC[C@@H](CC(C)C)[NH+]2CCOCC2)c(Cl)cc1C#N ZINC000359844004 167246943 /nfs/dbraw/zinc/24/69/43/167246943.db2.gz RPBKSHUUZADBJW-OAHLLOKOSA-N 1 2 336.867 3.074 20 30 EGEDLO N#Cc1ccc(F)c(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c1 ZINC000299266673 270043700 /nfs/dbraw/zinc/04/37/00/270043700.db2.gz KSHOQJWMMFUHPL-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO Cc1nn(-c2ccccc2)cc1CCCNc1cc(C)[nH+]cc1C#N ZINC000425210349 270049005 /nfs/dbraw/zinc/04/90/05/270049005.db2.gz UECBCHAZXDXCDW-UHFFFAOYSA-N 1 2 331.423 3.222 20 30 EGEDLO N#Cc1csc(C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1 ZINC000179783207 265388912 /nfs/dbraw/zinc/38/89/12/265388912.db2.gz OIFIYZVKBHOZDV-UHFFFAOYSA-N 1 2 338.436 3.100 20 30 EGEDLO CCCCc1nc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000292180263 266039840 /nfs/dbraw/zinc/03/98/40/266039840.db2.gz MIPRSPYSOLVUSL-MRXNPFEDSA-N 1 2 342.468 3.406 20 30 EGEDLO CCCCc1nc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000292180263 266039843 /nfs/dbraw/zinc/03/98/43/266039843.db2.gz MIPRSPYSOLVUSL-MRXNPFEDSA-N 1 2 342.468 3.406 20 30 EGEDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2nc3c(cc2C#N)CCCC3)CC1 ZINC000270986265 267005397 /nfs/dbraw/zinc/00/53/97/267005397.db2.gz SYDAFSPPCHSFGQ-INIZCTEOSA-N 1 2 347.466 3.110 20 30 EGEDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000492526207 267255622 /nfs/dbraw/zinc/25/56/22/267255622.db2.gz BVCINOGMCCZWHZ-BQYQJAHWSA-N 1 2 326.425 3.367 20 30 EGEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000454994503 267257290 /nfs/dbraw/zinc/25/72/90/267257290.db2.gz HKKACMAFXRWPFD-CYBMUJFWSA-N 1 2 341.415 3.445 20 30 EGEDLO Cc1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c(Cl)c1 ZINC000447134951 268036427 /nfs/dbraw/zinc/03/64/27/268036427.db2.gz ZDBRBROKFNECGN-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO Cc1nc(CN2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)cs1 ZINC000439438224 268077313 /nfs/dbraw/zinc/07/73/13/268077313.db2.gz LQGMHQYDMGEVNL-UHFFFAOYSA-N 1 2 346.887 3.294 20 30 EGEDLO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2nc3c(s2)CCC3)c(C#N)c1C ZINC000459639459 268104969 /nfs/dbraw/zinc/10/49/69/268104969.db2.gz VYQHIXSUCGPDIO-JTQLQIEISA-N 1 2 344.440 3.003 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3c(F)cccc3Cl)CC2)cn1 ZINC000301590591 268118540 /nfs/dbraw/zinc/11/85/40/268118540.db2.gz QKWUZDBESIBWSY-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO N#Cc1ccc(NC(=O)C2CC[NH+](CC(F)F)CC2)cc1Cl ZINC000297913581 268136674 /nfs/dbraw/zinc/13/66/74/268136674.db2.gz SPMSODONFIWSRA-UHFFFAOYSA-N 1 2 327.762 3.127 20 30 EGEDLO N#Cc1ccc(O[C@H]2CCN(c3cc(C(F)(F)F)cc[nH+]3)C2)nc1 ZINC000292015069 268186221 /nfs/dbraw/zinc/18/62/21/268186221.db2.gz ZVQPLEBYHWFTPI-ZDUSSCGKSA-N 1 2 334.301 3.025 20 30 EGEDLO N#Cc1ccc([N+](=O)[O-])c(NCc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000274297453 268218003 /nfs/dbraw/zinc/21/80/03/268218003.db2.gz DHMHECWOOPLMSZ-UHFFFAOYSA-N 1 2 337.383 3.464 20 30 EGEDLO N#Cc1ccc(NC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000514102262 268243448 /nfs/dbraw/zinc/24/34/48/268243448.db2.gz MZXWCYQRJMPWTP-DAXSKMNVSA-N 1 2 346.434 3.421 20 30 EGEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccc(-c3ccco3)cc2F)C(N)=O)cc1 ZINC000447797197 268263836 /nfs/dbraw/zinc/26/38/36/268263836.db2.gz GWMAAWNBUQNNBC-IBGZPJMESA-N 1 2 349.365 3.274 20 30 EGEDLO N#Cc1cccc(/C=C\C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000492462930 268266747 /nfs/dbraw/zinc/26/67/47/268266747.db2.gz VCYDVDFSSFXINZ-SREVYHEPSA-N 1 2 348.450 3.487 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000548754486 315043160 /nfs/dbraw/zinc/04/31/60/315043160.db2.gz PIBBYWZBAKPSNZ-PEBVRCNWSA-N 1 2 347.846 3.038 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000548754486 315043162 /nfs/dbraw/zinc/04/31/62/315043162.db2.gz PIBBYWZBAKPSNZ-PEBVRCNWSA-N 1 2 347.846 3.038 20 30 EGEDLO C=CC[N@H+](Cc1c(C)cc(Cl)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000092361032 454556134 /nfs/dbraw/zinc/55/61/34/454556134.db2.gz OANMLPCPCVZNCX-OAHLLOKOSA-N 1 2 327.877 3.132 20 30 EGEDLO Cc1cc(NCCc2cnc(SC3CCCC3)nc2)c(C#N)c[nH+]1 ZINC000566006080 316401417 /nfs/dbraw/zinc/40/14/17/316401417.db2.gz YBPAZURIGMEQDY-UHFFFAOYSA-N 1 2 339.468 3.163 20 30 EGEDLO C=CCC[C@@H](O)C[N@@H+]1CCO[C@H](c2cccc(Br)c2)C1 ZINC000124909961 454781388 /nfs/dbraw/zinc/78/13/88/454781388.db2.gz CGGOBOYVWURSSP-CVEARBPZSA-N 1 2 340.261 3.150 20 30 EGEDLO C=CCC[C@@H](O)C[N@H+]1CCO[C@H](c2cccc(Br)c2)C1 ZINC000124909961 454781390 /nfs/dbraw/zinc/78/13/90/454781390.db2.gz CGGOBOYVWURSSP-CVEARBPZSA-N 1 2 340.261 3.150 20 30 EGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Nc1scc(C)c1C#N)CCC2 ZINC000571654307 317229257 /nfs/dbraw/zinc/22/92/57/317229257.db2.gz OILNCLOHSNCILX-GFCCVEGCSA-N 1 2 329.429 3.132 20 30 EGEDLO CC(C)(C)C[N@@H+](CCC#N)CCCS(=O)(=O)c1ccc(F)cc1 ZINC000336870375 456313379 /nfs/dbraw/zinc/31/33/79/456313379.db2.gz JBETUGCAMMCXBQ-UHFFFAOYSA-N 1 2 340.464 3.251 20 30 EGEDLO CC(C)(C)C[N@H+](CCC#N)CCCS(=O)(=O)c1ccc(F)cc1 ZINC000336870375 456313386 /nfs/dbraw/zinc/31/33/86/456313386.db2.gz JBETUGCAMMCXBQ-UHFFFAOYSA-N 1 2 340.464 3.251 20 30 EGEDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000023666921 323213619 /nfs/dbraw/zinc/21/36/19/323213619.db2.gz LNNJOMJENFROOA-LBPRGKRZSA-N 1 2 329.350 3.468 20 30 EGEDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000023666921 323213621 /nfs/dbraw/zinc/21/36/21/323213621.db2.gz LNNJOMJENFROOA-LBPRGKRZSA-N 1 2 329.350 3.468 20 30 EGEDLO CCCc1c(N[C@@H]2CCn3cc[nH+]c32)cnn1-c1cccc(C#N)c1 ZINC000576199421 324564239 /nfs/dbraw/zinc/56/42/39/324564239.db2.gz FASYIURGJDSQBQ-MRXNPFEDSA-N 1 2 332.411 3.450 20 30 EGEDLO Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)Cn1cc[nH+]c1 ZINC000579747561 325154241 /nfs/dbraw/zinc/15/42/41/325154241.db2.gz TUYPECFPECHVAW-UHFFFAOYSA-N 1 2 348.381 3.436 20 30 EGEDLO CN(CCCn1cc[nH+]c1)c1cc(Br)c(C#N)cc1F ZINC000581261042 325347043 /nfs/dbraw/zinc/34/70/43/325347043.db2.gz MSIYJOMREGNJRA-UHFFFAOYSA-N 1 2 337.196 3.183 20 30 EGEDLO CC(C)Oc1ccccc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000581465224 325363443 /nfs/dbraw/zinc/36/34/43/325363443.db2.gz TXMKBTNYGGLXHC-UHFFFAOYSA-N 1 2 336.439 3.063 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C(F)(F)F)CC1 ZINC000173010651 455219148 /nfs/dbraw/zinc/21/91/48/455219148.db2.gz DRHWPWBOOVROJA-LLVKDONJSA-N 1 2 325.334 3.160 20 30 EGEDLO COC(=O)c1cnc([C@H](C)[NH2+]CC#Cc2cccc(Cl)c2)s1 ZINC000425481934 457572008 /nfs/dbraw/zinc/57/20/08/457572008.db2.gz GPOGCHVJKKKCIH-NSHDSACASA-N 1 2 334.828 3.285 20 30 EGEDLO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612155280 460555105 /nfs/dbraw/zinc/55/51/05/460555105.db2.gz QXFSUFSIHNZJGE-KMOCJBKRSA-N 1 2 329.488 3.086 20 30 EGEDLO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612155280 460555111 /nfs/dbraw/zinc/55/51/11/460555111.db2.gz QXFSUFSIHNZJGE-KMOCJBKRSA-N 1 2 329.488 3.086 20 30 EGEDLO C[C@]1(C#N)CCC[N@H+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000612164717 460557113 /nfs/dbraw/zinc/55/71/13/460557113.db2.gz GFNNTXBSYGMJGX-GDBMZVCRSA-N 1 2 342.361 3.071 20 30 EGEDLO C[C@]1(C#N)CCC[N@@H+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000612164717 460557124 /nfs/dbraw/zinc/55/71/24/460557124.db2.gz GFNNTXBSYGMJGX-GDBMZVCRSA-N 1 2 342.361 3.071 20 30 EGEDLO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612165624 460557233 /nfs/dbraw/zinc/55/72/33/460557233.db2.gz ODAKNFTVZYQDOJ-YRNRMSPPSA-N 1 2 327.472 3.440 20 30 EGEDLO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612165624 460557238 /nfs/dbraw/zinc/55/72/38/460557238.db2.gz ODAKNFTVZYQDOJ-YRNRMSPPSA-N 1 2 327.472 3.440 20 30 EGEDLO C[C@@]1(C#N)CCC[N@@H+]([C@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000612167172 460558701 /nfs/dbraw/zinc/55/87/01/460558701.db2.gz VINFPXZTXFNJQM-ICSRJNTNSA-N 1 2 325.456 3.366 20 30 EGEDLO C[C@@]1(C#N)CCC[N@H+]([C@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000612167172 460558707 /nfs/dbraw/zinc/55/87/07/460558707.db2.gz VINFPXZTXFNJQM-ICSRJNTNSA-N 1 2 325.456 3.366 20 30 EGEDLO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166918 460559598 /nfs/dbraw/zinc/55/95/98/460559598.db2.gz FUFLZMXSLGNDBD-RKVPGOIHSA-N 1 2 331.485 3.426 20 30 EGEDLO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166918 460559602 /nfs/dbraw/zinc/55/96/02/460559602.db2.gz FUFLZMXSLGNDBD-RKVPGOIHSA-N 1 2 331.485 3.426 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000015742225 453584154 /nfs/dbraw/zinc/58/41/54/453584154.db2.gz VFYODYFCNMSPTP-UHFFFAOYSA-N 1 2 339.826 3.170 20 30 EGEDLO C[C@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000017701942 453637286 /nfs/dbraw/zinc/63/72/86/453637286.db2.gz OZRQQIHPWFQRCX-GOSISDBHSA-N 1 2 347.462 3.396 20 30 EGEDLO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccccc1F ZINC000022059980 453686247 /nfs/dbraw/zinc/68/62/47/453686247.db2.gz VMUSIDAPEBUGLC-UHFFFAOYSA-N 1 2 325.387 3.204 20 30 EGEDLO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccccc1F ZINC000022059980 453686251 /nfs/dbraw/zinc/68/62/51/453686251.db2.gz VMUSIDAPEBUGLC-UHFFFAOYSA-N 1 2 325.387 3.204 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1nc2ccccc2s1 ZINC000027404229 453816354 /nfs/dbraw/zinc/81/63/54/453816354.db2.gz WVCKGBYSUXDFOS-SCLBCKFNSA-N 1 2 344.484 3.171 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000027404229 453816355 /nfs/dbraw/zinc/81/63/55/453816355.db2.gz WVCKGBYSUXDFOS-SCLBCKFNSA-N 1 2 344.484 3.171 20 30 EGEDLO CCc1ccc(C(=O)N2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000027747991 453820178 /nfs/dbraw/zinc/82/01/78/453820178.db2.gz FRNPYFULVANZSK-UHFFFAOYSA-N 1 2 333.435 3.079 20 30 EGEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000030003827 453833317 /nfs/dbraw/zinc/83/33/17/453833317.db2.gz XLBAGVFWICZYEW-UHFFFAOYSA-N 1 2 339.826 3.170 20 30 EGEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cn1nc(C(C)(C)C)ccc1=O ZINC000066793275 453874269 /nfs/dbraw/zinc/87/42/69/453874269.db2.gz MHXCAJQWXPOXLG-UHFFFAOYSA-N 1 2 338.455 3.281 20 30 EGEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cn1nc(C(C)(C)C)ccc1=O ZINC000066793275 453874271 /nfs/dbraw/zinc/87/42/71/453874271.db2.gz MHXCAJQWXPOXLG-UHFFFAOYSA-N 1 2 338.455 3.281 20 30 EGEDLO N#Cc1ccc(OCC[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000066849244 453879541 /nfs/dbraw/zinc/87/95/41/453879541.db2.gz YBCHXDIUZQDXPR-IBGZPJMESA-N 1 2 326.371 3.150 20 30 EGEDLO N#Cc1ccc(OCC[N@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000066849244 453879542 /nfs/dbraw/zinc/87/95/42/453879542.db2.gz YBCHXDIUZQDXPR-IBGZPJMESA-N 1 2 326.371 3.150 20 30 EGEDLO N#Cc1ccccc1OCC[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000066847552 453879571 /nfs/dbraw/zinc/87/95/71/453879571.db2.gz XMIKFSOKKFXIHY-LJQANCHMSA-N 1 2 326.371 3.150 20 30 EGEDLO N#Cc1ccccc1OCC[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000066847552 453879573 /nfs/dbraw/zinc/87/95/73/453879573.db2.gz XMIKFSOKKFXIHY-LJQANCHMSA-N 1 2 326.371 3.150 20 30 EGEDLO N#Cc1ccc(OCC[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000066849245 453879687 /nfs/dbraw/zinc/87/96/87/453879687.db2.gz YBCHXDIUZQDXPR-LJQANCHMSA-N 1 2 326.371 3.150 20 30 EGEDLO N#Cc1ccc(OCC[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000066849245 453879691 /nfs/dbraw/zinc/87/96/91/453879691.db2.gz YBCHXDIUZQDXPR-LJQANCHMSA-N 1 2 326.371 3.150 20 30 EGEDLO C=C(C)CN(CC)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000054008507 453905023 /nfs/dbraw/zinc/90/50/23/453905023.db2.gz SYOXFFYRIHKSLW-MRXNPFEDSA-N 1 2 330.407 3.256 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1cccc(C#N)c1)c1ccccc1F ZINC000054008098 453905150 /nfs/dbraw/zinc/90/51/50/453905150.db2.gz KZFFNYDBQXXXHU-KRWDZBQOSA-N 1 2 349.369 3.342 20 30 EGEDLO N#Cc1ccc(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)cc1 ZINC000081942578 453919170 /nfs/dbraw/zinc/91/91/70/453919170.db2.gz PYYYVTXEEQZMDJ-UHFFFAOYSA-N 1 2 344.418 3.318 20 30 EGEDLO COC(=O)[C@@H]([NH2+]C[C@@H]1CCCc2ccccc21)c1cccc(C#N)c1 ZINC000083029921 453934601 /nfs/dbraw/zinc/93/46/01/453934601.db2.gz QHFCFIYGOZIUEU-ICSRJNTNSA-N 1 2 334.419 3.482 20 30 EGEDLO N#CCc1ccc(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000076084404 453960950 /nfs/dbraw/zinc/96/09/50/453960950.db2.gz OZJAZMPIMNHVSJ-UHFFFAOYSA-N 1 2 335.411 3.070 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCc1cccc(OC)c1)Cc1ccccc1F ZINC000056312512 454049777 /nfs/dbraw/zinc/04/97/77/454049777.db2.gz LUJINKBDGXGUHY-UHFFFAOYSA-N 1 2 342.414 3.139 20 30 EGEDLO C=CC[N@H+](CC(=O)NCc1cccc(OC)c1)Cc1ccccc1F ZINC000056312512 454049780 /nfs/dbraw/zinc/04/97/80/454049780.db2.gz LUJINKBDGXGUHY-UHFFFAOYSA-N 1 2 342.414 3.139 20 30 EGEDLO Cc1ccc2[nH+]c(CNC(=O)N[C@@H](C)c3ccc(C#N)cc3)cn2c1 ZINC000057221440 454112859 /nfs/dbraw/zinc/11/28/59/454112859.db2.gz RORFPZWAFIXDSM-AWEZNQCLSA-N 1 2 333.395 3.075 20 30 EGEDLO N#Cc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1Cl ZINC000160092866 455428785 /nfs/dbraw/zinc/42/87/85/455428785.db2.gz BYUYYAFVLIPSCG-AWEZNQCLSA-N 1 2 341.802 3.007 20 30 EGEDLO Cn1c2ccc(NC(=O)COc3ccccc3C#N)cc2[nH+]c1C1CC1 ZINC000089870220 454221324 /nfs/dbraw/zinc/22/13/24/454221324.db2.gz QSBWGJPEYRCSCT-UHFFFAOYSA-N 1 2 346.390 3.340 20 30 EGEDLO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(C#N)cc1 ZINC000046526475 454260121 /nfs/dbraw/zinc/26/01/21/454260121.db2.gz GEHDHMZQRYBVFI-UHFFFAOYSA-N 1 2 338.798 3.154 20 30 EGEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(C#N)cc1 ZINC000046526475 454260124 /nfs/dbraw/zinc/26/01/24/454260124.db2.gz GEHDHMZQRYBVFI-UHFFFAOYSA-N 1 2 338.798 3.154 20 30 EGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1ncc(C#N)cc1Cl ZINC000078503304 454265633 /nfs/dbraw/zinc/26/56/33/454265633.db2.gz PPCVBGDSWHKKQG-UHFFFAOYSA-N 1 2 337.814 3.488 20 30 EGEDLO C=CC[N@@H+](CC(=O)N1C[C@@H](C)O[C@H](C)C1)Cc1ccc(Cl)s1 ZINC000078667910 454295856 /nfs/dbraw/zinc/29/58/56/454295856.db2.gz RQNJYWONQYKBJV-CHWSQXEVSA-N 1 2 342.892 3.025 20 30 EGEDLO C=CC[N@H+](CC(=O)N1C[C@@H](C)O[C@H](C)C1)Cc1ccc(Cl)s1 ZINC000078667910 454295859 /nfs/dbraw/zinc/29/58/59/454295859.db2.gz RQNJYWONQYKBJV-CHWSQXEVSA-N 1 2 342.892 3.025 20 30 EGEDLO Cc1ncc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000047259305 454348824 /nfs/dbraw/zinc/34/88/24/454348824.db2.gz OTUIBNCVCSMQPA-SNVBAGLBSA-N 1 2 348.859 3.436 20 30 EGEDLO Cc1ncc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000047259305 454348830 /nfs/dbraw/zinc/34/88/30/454348830.db2.gz OTUIBNCVCSMQPA-SNVBAGLBSA-N 1 2 348.859 3.436 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000062640493 454382750 /nfs/dbraw/zinc/38/27/50/454382750.db2.gz NDIRGLOTTIDLSO-UHFFFAOYSA-N 1 2 329.282 3.010 20 30 EGEDLO C=C(Br)C[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000062640493 454382752 /nfs/dbraw/zinc/38/27/52/454382752.db2.gz NDIRGLOTTIDLSO-UHFFFAOYSA-N 1 2 329.282 3.010 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1cccs1 ZINC000097010187 454386278 /nfs/dbraw/zinc/38/62/78/454386278.db2.gz LVZJVMHWXVOLDU-UHFFFAOYSA-N 1 2 329.425 3.456 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1cccs1 ZINC000097010187 454386283 /nfs/dbraw/zinc/38/62/83/454386283.db2.gz LVZJVMHWXVOLDU-UHFFFAOYSA-N 1 2 329.425 3.456 20 30 EGEDLO C=CC[N@@H+](CC(=O)N1C[C@H](C)C[C@@H](C)C1)Cc1cccc(C#N)c1 ZINC000063300621 454403804 /nfs/dbraw/zinc/40/38/04/454403804.db2.gz JAAVSWJGPQSMFM-IAGOWNOFSA-N 1 2 325.456 3.051 20 30 EGEDLO C=CC[N@H+](CC(=O)N1C[C@H](C)C[C@@H](C)C1)Cc1cccc(C#N)c1 ZINC000063300621 454403807 /nfs/dbraw/zinc/40/38/07/454403807.db2.gz JAAVSWJGPQSMFM-IAGOWNOFSA-N 1 2 325.456 3.051 20 30 EGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1ccco1 ZINC000073618637 454458490 /nfs/dbraw/zinc/45/84/90/454458490.db2.gz LACYARXAIZQRGL-AWEZNQCLSA-N 1 2 329.375 3.186 20 30 EGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1ccco1 ZINC000073618637 454458493 /nfs/dbraw/zinc/45/84/93/454458493.db2.gz LACYARXAIZQRGL-AWEZNQCLSA-N 1 2 329.375 3.186 20 30 EGEDLO Cc1ccccc1C1(C/[NH+]=C/c2ccc(O)c(O)c2O)CCOCC1 ZINC000098161514 454463448 /nfs/dbraw/zinc/46/34/48/454463448.db2.gz CDERMYRVXFIGRL-CIAFOILYSA-N 1 2 341.407 3.279 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000121822814 454481307 /nfs/dbraw/zinc/48/13/07/454481307.db2.gz FDQWTYGVQZJDJO-GOSISDBHSA-N 1 2 339.439 3.403 20 30 EGEDLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)NC2(C#N)CCCCC2)s1 ZINC000122075194 454507486 /nfs/dbraw/zinc/50/74/86/454507486.db2.gz SKRCRUKHQYTOQS-CQSZACIVSA-N 1 2 348.516 3.349 20 30 EGEDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)NC2(C#N)CCCCC2)s1 ZINC000122075194 454507491 /nfs/dbraw/zinc/50/74/91/454507491.db2.gz SKRCRUKHQYTOQS-CQSZACIVSA-N 1 2 348.516 3.349 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000122289865 454519396 /nfs/dbraw/zinc/51/93/96/454519396.db2.gz IPXDJXQAHUXFGF-UHFFFAOYSA-N 1 2 340.814 3.210 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](Cc1ccncc1)C1CC1 ZINC000122289865 454519400 /nfs/dbraw/zinc/51/94/00/454519400.db2.gz IPXDJXQAHUXFGF-UHFFFAOYSA-N 1 2 340.814 3.210 20 30 EGEDLO COc1cccc(N2CC[NH+](Cc3ccc(F)cc3C#N)CC2)c1 ZINC000103138749 454540723 /nfs/dbraw/zinc/54/07/23/454540723.db2.gz LWJLDBLYQABHLD-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO C=CC[N@@H+](Cc1c(C)cc(Cl)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000092361032 454556130 /nfs/dbraw/zinc/55/61/30/454556130.db2.gz OANMLPCPCVZNCX-OAHLLOKOSA-N 1 2 327.877 3.132 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000134647538 454574289 /nfs/dbraw/zinc/57/42/89/454574289.db2.gz JSBVYRWAFXEJCS-NWDGAFQWSA-N 1 2 333.270 3.273 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000134647538 454574293 /nfs/dbraw/zinc/57/42/93/454574293.db2.gz JSBVYRWAFXEJCS-NWDGAFQWSA-N 1 2 333.270 3.273 20 30 EGEDLO Cc1cc(C(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c(C)[nH]1 ZINC000104713509 454598361 /nfs/dbraw/zinc/59/83/61/454598361.db2.gz XRVHTSZZFWNZAI-UHFFFAOYSA-N 1 2 337.423 3.229 20 30 EGEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2cccc(C)c2C)cc1C#N ZINC000134976181 454619001 /nfs/dbraw/zinc/61/90/01/454619001.db2.gz POIDEMDTUPREMH-UHFFFAOYSA-N 1 2 337.423 3.254 20 30 EGEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(C)c2C)cc1C#N ZINC000134976181 454619009 /nfs/dbraw/zinc/61/90/09/454619009.db2.gz POIDEMDTUPREMH-UHFFFAOYSA-N 1 2 337.423 3.254 20 30 EGEDLO C[C@@H](CC1CCCC1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000074687209 454619553 /nfs/dbraw/zinc/61/95/53/454619553.db2.gz ZTCPAAZOKGAFKX-KRWDZBQOSA-N 1 2 339.483 3.419 20 30 EGEDLO C=CCOc1ccccc1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000123344839 454628258 /nfs/dbraw/zinc/62/82/58/454628258.db2.gz MPXPGLQGJTUPFZ-WBVHZDCISA-N 1 2 325.412 3.171 20 30 EGEDLO N#Cc1cccc(OCC[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000051689160 454634627 /nfs/dbraw/zinc/63/46/27/454634627.db2.gz DZKXCXNVUNFNHW-IBGZPJMESA-N 1 2 326.371 3.150 20 30 EGEDLO N#Cc1cccc(OCC[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000051689160 454634632 /nfs/dbraw/zinc/63/46/32/454634632.db2.gz DZKXCXNVUNFNHW-IBGZPJMESA-N 1 2 326.371 3.150 20 30 EGEDLO C=CCN(C)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000161558049 454703248 /nfs/dbraw/zinc/70/32/48/454703248.db2.gz QYMWYFOBJCAPSO-OAHLLOKOSA-N 1 2 337.261 3.230 20 30 EGEDLO CCC[C@H]1C[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)CCO1 ZINC000093508907 454720112 /nfs/dbraw/zinc/72/01/12/454720112.db2.gz MNISLSUACGLNGF-KRWDZBQOSA-N 1 2 332.444 3.379 20 30 EGEDLO CCC[C@H]1C[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)CCO1 ZINC000093508907 454720115 /nfs/dbraw/zinc/72/01/15/454720115.db2.gz MNISLSUACGLNGF-KRWDZBQOSA-N 1 2 332.444 3.379 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(C(N)=O)cs1 ZINC000093872476 454743542 /nfs/dbraw/zinc/74/35/42/454743542.db2.gz OXLNJHTUOKMJRI-SJORKVTESA-N 1 2 325.437 3.119 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(C(N)=O)cs1 ZINC000093872476 454743544 /nfs/dbraw/zinc/74/35/44/454743544.db2.gz OXLNJHTUOKMJRI-SJORKVTESA-N 1 2 325.437 3.119 20 30 EGEDLO C[N@H+](CC(=O)Nc1cccc(Cl)c1)Cc1ccc(F)c(C#N)c1 ZINC000176810047 454786335 /nfs/dbraw/zinc/78/63/35/454786335.db2.gz CVPQMPGPZSGTKB-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)Cc1ccc(F)c(C#N)c1 ZINC000176810047 454786337 /nfs/dbraw/zinc/78/63/37/454786337.db2.gz CVPQMPGPZSGTKB-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO Cc1nc(CN2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)cs1 ZINC000177014805 454811573 /nfs/dbraw/zinc/81/15/73/454811573.db2.gz AMMJABFHSJICCB-UHFFFAOYSA-N 1 2 345.899 3.274 20 30 EGEDLO C[N@H+](CCOc1cccc(C#N)c1)Cc1nc(-c2ccccc2)c[nH]1 ZINC000154028762 454858749 /nfs/dbraw/zinc/85/87/49/454858749.db2.gz PMNSFOFWJONSFI-UHFFFAOYSA-N 1 2 332.407 3.459 20 30 EGEDLO C[N@@H+](CCOc1cccc(C#N)c1)Cc1nc(-c2ccccc2)c[nH]1 ZINC000154028762 454858752 /nfs/dbraw/zinc/85/87/52/454858752.db2.gz PMNSFOFWJONSFI-UHFFFAOYSA-N 1 2 332.407 3.459 20 30 EGEDLO CN(C)c1ccc2cc(NC(=O)COc3ccc(C#N)cc3)ccc2[nH+]1 ZINC000150225438 454881639 /nfs/dbraw/zinc/88/16/39/454881639.db2.gz WHSTZIKVUGYKGB-UHFFFAOYSA-N 1 2 346.390 3.190 20 30 EGEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000112560411 454890302 /nfs/dbraw/zinc/89/03/02/454890302.db2.gz YUBBJEWJZNRXDF-HNNXBMFYSA-N 1 2 335.411 3.360 20 30 EGEDLO CCc1nc(CN2CC[NH+](Cc3ccc(C#N)cc3F)CC2)cs1 ZINC000154418652 454894566 /nfs/dbraw/zinc/89/45/66/454894566.db2.gz HNESUIQMUNZZNW-UHFFFAOYSA-N 1 2 344.459 3.034 20 30 EGEDLO CC#CC[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000182308140 455485414 /nfs/dbraw/zinc/48/54/14/455485414.db2.gz IPSGSESYRMSFBM-SFHVURJKSA-N 1 2 349.402 3.071 20 30 EGEDLO O=C(c1ccccc1)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000127562647 454977885 /nfs/dbraw/zinc/97/78/85/454977885.db2.gz SSXQXWBNIPABKH-UHFFFAOYSA-N 1 2 336.410 3.025 20 30 EGEDLO O=C(c1ccccc1)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000127562647 454977890 /nfs/dbraw/zinc/97/78/90/454977890.db2.gz SSXQXWBNIPABKH-UHFFFAOYSA-N 1 2 336.410 3.025 20 30 EGEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000155286587 454983452 /nfs/dbraw/zinc/98/34/52/454983452.db2.gz RJPWCRAEHPFKRT-MSOLQXFVSA-N 1 2 340.471 3.420 20 30 EGEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000155286587 454983455 /nfs/dbraw/zinc/98/34/55/454983455.db2.gz RJPWCRAEHPFKRT-MSOLQXFVSA-N 1 2 340.471 3.420 20 30 EGEDLO C[N@H+](Cc1ccc(Cl)c(F)c1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000127684521 454987538 /nfs/dbraw/zinc/98/75/38/454987538.db2.gz OXOIOYQICRHIHD-INIZCTEOSA-N 1 2 331.778 3.009 20 30 EGEDLO C[N@@H+](Cc1ccc(Cl)c(F)c1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000127684521 454987542 /nfs/dbraw/zinc/98/75/42/454987542.db2.gz OXOIOYQICRHIHD-INIZCTEOSA-N 1 2 331.778 3.009 20 30 EGEDLO O=C(NCc1ccco1)[C@@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000151477686 454990359 /nfs/dbraw/zinc/99/03/59/454990359.db2.gz PLSBTOLDWUMCFU-SFHVURJKSA-N 1 2 342.826 3.065 20 30 EGEDLO O=C(NCc1ccco1)[C@@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000151477686 454990362 /nfs/dbraw/zinc/99/03/62/454990362.db2.gz PLSBTOLDWUMCFU-SFHVURJKSA-N 1 2 342.826 3.065 20 30 EGEDLO CC(C)(C)C(=O)N1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000128305119 455044482 /nfs/dbraw/zinc/04/44/82/455044482.db2.gz JSCZGCBCBSNCAL-UHFFFAOYSA-N 1 2 343.471 3.059 20 30 EGEDLO COc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000179658069 455065609 /nfs/dbraw/zinc/06/56/09/455065609.db2.gz RNVKIFBNSUYOGT-LJQANCHMSA-N 1 2 326.371 3.279 20 30 EGEDLO COc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000179658069 455065615 /nfs/dbraw/zinc/06/56/15/455065615.db2.gz RNVKIFBNSUYOGT-LJQANCHMSA-N 1 2 326.371 3.279 20 30 EGEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000118391093 455104441 /nfs/dbraw/zinc/10/44/41/455104441.db2.gz DVOILKYFJQCVEN-AWEZNQCLSA-N 1 2 325.437 3.139 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000118421126 455105290 /nfs/dbraw/zinc/10/52/90/455105290.db2.gz AOHHXZFVYNRVDE-SNRMKQJTSA-N 1 2 345.512 3.219 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000118421126 455105293 /nfs/dbraw/zinc/10/52/93/455105293.db2.gz AOHHXZFVYNRVDE-SNRMKQJTSA-N 1 2 345.512 3.219 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(Cl)ccc3F)CC2)nc1 ZINC000179987902 455111065 /nfs/dbraw/zinc/11/10/65/455111065.db2.gz ONWDWLYATHEAKC-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO COc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000172395524 455151145 /nfs/dbraw/zinc/15/11/45/455151145.db2.gz VPNFCDQUOPEYJS-INIZCTEOSA-N 1 2 349.434 3.086 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+](Cc2cccnc2)C2CC2)cc1Cl ZINC000180274455 455153981 /nfs/dbraw/zinc/15/39/81/455153981.db2.gz CYDPCWOJEMAVCO-UHFFFAOYSA-N 1 2 340.814 3.210 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+](Cc2cccnc2)C2CC2)cc1Cl ZINC000180274455 455153984 /nfs/dbraw/zinc/15/39/84/455153984.db2.gz CYDPCWOJEMAVCO-UHFFFAOYSA-N 1 2 340.814 3.210 20 30 EGEDLO C=CCCC[C@H](C)NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000180416488 455165558 /nfs/dbraw/zinc/16/55/58/455165558.db2.gz CGTLRXCLBQXBMX-HKUYNNGSSA-N 1 2 345.487 3.104 20 30 EGEDLO C[N@H+](CC(=O)Nc1sccc1C#N)Cc1cc(F)c(F)c(F)c1 ZINC000180504259 455185574 /nfs/dbraw/zinc/18/55/74/455185574.db2.gz YZZWYHAMPGFHIY-UHFFFAOYSA-N 1 2 339.342 3.108 20 30 EGEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1cc(F)c(F)c(F)c1 ZINC000180504259 455185575 /nfs/dbraw/zinc/18/55/75/455185575.db2.gz YZZWYHAMPGFHIY-UHFFFAOYSA-N 1 2 339.342 3.108 20 30 EGEDLO C[C@@H]1CN(c2ccc(CNc3ccc(C#N)c(Cl)c3)c[nH+]2)CCO1 ZINC000264453071 455216333 /nfs/dbraw/zinc/21/63/33/455216333.db2.gz WDTZENQEJRLGHG-CYBMUJFWSA-N 1 2 342.830 3.444 20 30 EGEDLO COC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(C)o1 ZINC000184717990 455436536 /nfs/dbraw/zinc/43/65/36/455436536.db2.gz VCAVAPALVXEWNP-OAHLLOKOSA-N 1 2 347.802 3.029 20 30 EGEDLO CCc1cnc(C[N@H+](C)CCOc2ccc(C#N)cc2OC)s1 ZINC000175527768 455458405 /nfs/dbraw/zinc/45/84/05/455458405.db2.gz YYFPCSHTZSHSTJ-UHFFFAOYSA-N 1 2 331.441 3.097 20 30 EGEDLO CCc1cnc(C[N@@H+](C)CCOc2ccc(C#N)cc2OC)s1 ZINC000175527768 455458409 /nfs/dbraw/zinc/45/84/09/455458409.db2.gz YYFPCSHTZSHSTJ-UHFFFAOYSA-N 1 2 331.441 3.097 20 30 EGEDLO CC(C)(C#N)c1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000160669987 455485870 /nfs/dbraw/zinc/48/58/70/455485870.db2.gz FVIXLWAVVNAMTH-QGZVFWFLSA-N 1 2 349.438 3.283 20 30 EGEDLO COc1cc(N[C@@H]2CCC[N@H+](C[C@@H](C#N)CCC#N)C2)cc(OC)c1 ZINC000246937100 455537299 /nfs/dbraw/zinc/53/72/99/455537299.db2.gz TZXXUAVTIQXKCP-HZPDHXFCSA-N 1 2 342.443 3.024 20 30 EGEDLO COc1cc(N[C@@H]2CCC[N@@H+](C[C@@H](C#N)CCC#N)C2)cc(OC)c1 ZINC000246937100 455537303 /nfs/dbraw/zinc/53/73/03/455537303.db2.gz TZXXUAVTIQXKCP-HZPDHXFCSA-N 1 2 342.443 3.024 20 30 EGEDLO COc1ccccc1N1CC[C@H]([N@H+](CCC#N)CC(C)(C)C)C1=O ZINC000192599526 455649538 /nfs/dbraw/zinc/64/95/38/455649538.db2.gz RSEYBVOONSUGJT-INIZCTEOSA-N 1 2 329.444 3.062 20 30 EGEDLO COc1ccccc1N1CC[C@H]([N@@H+](CCC#N)CC(C)(C)C)C1=O ZINC000192599526 455649542 /nfs/dbraw/zinc/64/95/42/455649542.db2.gz RSEYBVOONSUGJT-INIZCTEOSA-N 1 2 329.444 3.062 20 30 EGEDLO C[C@H]1C(=O)N(C)CC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193125953 455742791 /nfs/dbraw/zinc/74/27/91/455742791.db2.gz VIXMLZARNHQTFA-SFHVURJKSA-N 1 2 347.462 3.049 20 30 EGEDLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193125953 455742799 /nfs/dbraw/zinc/74/27/99/455742799.db2.gz VIXMLZARNHQTFA-SFHVURJKSA-N 1 2 347.462 3.049 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](COC)C2)cc1Cl ZINC000249244778 455747073 /nfs/dbraw/zinc/74/70/73/455747073.db2.gz XASMLNNEQCLRCO-HIFRSBDPSA-N 1 2 325.836 3.141 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2C[C@@H](C)O[C@H](COC)C2)cc1Cl ZINC000249244778 455747074 /nfs/dbraw/zinc/74/70/74/455747074.db2.gz XASMLNNEQCLRCO-HIFRSBDPSA-N 1 2 325.836 3.141 20 30 EGEDLO N#C[C@@H](C(=O)c1ccc(-n2cc[nH+]c2)cc1)c1nc2ccccc2[nH]1 ZINC000193257864 455750017 /nfs/dbraw/zinc/75/00/17/455750017.db2.gz LRQBVUJRIZGAEP-HNNXBMFYSA-N 1 2 327.347 3.239 20 30 EGEDLO Cc1oc(NC(=O)C[NH2+][C@H](C)c2c(F)cccc2F)c(C#N)c1C ZINC000271776471 455755637 /nfs/dbraw/zinc/75/56/37/455755637.db2.gz ONFPAJHUJIIXNM-SNVBAGLBSA-N 1 2 333.338 3.336 20 30 EGEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000278543892 455838818 /nfs/dbraw/zinc/83/88/18/455838818.db2.gz GQHIMZOXFVQOTC-AAEUAGOBSA-N 1 2 325.243 3.203 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H](C#N)C1CCCCC1 ZINC000279964906 455878744 /nfs/dbraw/zinc/87/87/44/455878744.db2.gz PTWVYAORMHOIOH-MRXNPFEDSA-N 1 2 346.381 3.212 20 30 EGEDLO COc1cc(C)[nH+]c(CN2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000270258189 455914246 /nfs/dbraw/zinc/91/42/46/455914246.db2.gz JPJMLZQMEAPYTB-UHFFFAOYSA-N 1 2 337.423 3.314 20 30 EGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCC#Cc1ccccc1 ZINC000280477354 455979628 /nfs/dbraw/zinc/97/96/28/455979628.db2.gz ZQXOUYIWUWXCEW-GOSISDBHSA-N 1 2 336.439 3.191 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCC#Cc1ccccc1 ZINC000280477355 455979732 /nfs/dbraw/zinc/97/97/32/455979732.db2.gz ZQXOUYIWUWXCEW-SFHVURJKSA-N 1 2 336.439 3.191 20 30 EGEDLO COc1ccc([C@H](CNc2ccc(C#N)cc2)[NH+]2CCOCC2)cc1 ZINC000280569190 456001717 /nfs/dbraw/zinc/00/17/17/456001717.db2.gz VVTKBSNUJAYYBV-FQEVSTJZSA-N 1 2 337.423 3.052 20 30 EGEDLO C#CCOc1ccccc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000188133547 456005241 /nfs/dbraw/zinc/00/52/41/456005241.db2.gz KJBWMRPYWURXRY-RDJZCZTQSA-N 1 2 338.411 3.010 20 30 EGEDLO Cc1cc(C)c(C#N)c(SCCC[NH+]2CCN(C(C)C)CC2)n1 ZINC000188204335 456021807 /nfs/dbraw/zinc/02/18/07/456021807.db2.gz PZLVVFCIPGEGCA-UHFFFAOYSA-N 1 2 332.517 3.078 20 30 EGEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000280656227 456024460 /nfs/dbraw/zinc/02/44/60/456024460.db2.gz ZVAZVPOFGYAKHJ-ZDUSSCGKSA-N 1 2 337.210 3.041 20 30 EGEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(CSc3ccc(C#N)cc3)n2)C1 ZINC000272715671 456049852 /nfs/dbraw/zinc/04/98/52/456049852.db2.gz YPNZHIXFCKJNKP-OAHLLOKOSA-N 1 2 344.440 3.015 20 30 EGEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(CSc3ccc(C#N)cc3)n2)C1 ZINC000272715671 456049858 /nfs/dbraw/zinc/04/98/58/456049858.db2.gz YPNZHIXFCKJNKP-OAHLLOKOSA-N 1 2 344.440 3.015 20 30 EGEDLO C=CCOc1ccc(CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000288440396 456096626 /nfs/dbraw/zinc/09/66/26/456096626.db2.gz NJKHDYJGWQUUPG-QGZVFWFLSA-N 1 2 340.427 3.411 20 30 EGEDLO CC1(C)C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@H]1[C@H]1CCCO1 ZINC000289370856 456122841 /nfs/dbraw/zinc/12/28/41/456122841.db2.gz AVCPGUCQCSIZFP-WBVHZDCISA-N 1 2 347.846 3.040 20 30 EGEDLO CC1(C)C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@H]1[C@H]1CCCO1 ZINC000289370856 456122848 /nfs/dbraw/zinc/12/28/48/456122848.db2.gz AVCPGUCQCSIZFP-WBVHZDCISA-N 1 2 347.846 3.040 20 30 EGEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000289432236 456124813 /nfs/dbraw/zinc/12/48/13/456124813.db2.gz VTHRQNGQOQRADB-HNNXBMFYSA-N 1 2 345.439 3.426 20 30 EGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000289432236 456124818 /nfs/dbraw/zinc/12/48/18/456124818.db2.gz VTHRQNGQOQRADB-HNNXBMFYSA-N 1 2 345.439 3.426 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(C)no2)cc1OC ZINC000289739041 456140004 /nfs/dbraw/zinc/14/00/04/456140004.db2.gz IKRRHCVCPWWJSV-OAHLLOKOSA-N 1 2 329.400 3.289 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2c2nc(C)no2)cc1OC ZINC000289739041 456140008 /nfs/dbraw/zinc/14/00/08/456140008.db2.gz IKRRHCVCPWWJSV-OAHLLOKOSA-N 1 2 329.400 3.289 20 30 EGEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)C1=O ZINC000333438897 456218542 /nfs/dbraw/zinc/21/85/42/456218542.db2.gz PEAPYZJDPUEDKA-HOTGVXAUSA-N 1 2 344.846 3.140 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)C1=O ZINC000333438897 456218547 /nfs/dbraw/zinc/21/85/47/456218547.db2.gz PEAPYZJDPUEDKA-HOTGVXAUSA-N 1 2 344.846 3.140 20 30 EGEDLO Cc1oc(C#N)cc1C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000281437550 456234105 /nfs/dbraw/zinc/23/41/05/456234105.db2.gz ZGJTTWMIWMFMRS-LBPRGKRZSA-N 1 2 329.425 3.040 20 30 EGEDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2ncccc2C#N)c2ccc(Cl)cc2)C1 ZINC000301880970 456239814 /nfs/dbraw/zinc/23/98/14/456239814.db2.gz KCHRYRCNJLPXCM-SJORKVTESA-N 1 2 342.830 3.090 20 30 EGEDLO C[N@H+]1CCO[C@@H]([C@@H](Nc2ncccc2C#N)c2ccc(Cl)cc2)C1 ZINC000301880970 456239818 /nfs/dbraw/zinc/23/98/18/456239818.db2.gz KCHRYRCNJLPXCM-SJORKVTESA-N 1 2 342.830 3.090 20 30 EGEDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000273722416 456243985 /nfs/dbraw/zinc/24/39/85/456243985.db2.gz RVTGANPKCKADAC-RKDXNWHRSA-N 1 2 349.847 3.049 20 30 EGEDLO Cc1cccn2cc(COc3ccc(C(=O)N(C)[C@@H](C)C#N)cc3)[nH+]c12 ZINC000297793967 456297635 /nfs/dbraw/zinc/29/76/35/456297635.db2.gz OGLDUPIWKOJXKC-HNNXBMFYSA-N 1 2 348.406 3.206 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1ccc(/C=N/OC)cc1 ZINC000281712311 456299538 /nfs/dbraw/zinc/29/95/38/456299538.db2.gz HVRQRCJZSQKYIG-JPOGYNCRSA-N 1 2 340.427 3.251 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2c2nc3ccccc3o2)C1=O ZINC000337171679 456333359 /nfs/dbraw/zinc/33/33/59/456333359.db2.gz DYEPHSLGZALESQ-HZPDHXFCSA-N 1 2 325.412 3.142 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2c2nc3ccccc3o2)C1=O ZINC000337171679 456333363 /nfs/dbraw/zinc/33/33/63/456333363.db2.gz DYEPHSLGZALESQ-HZPDHXFCSA-N 1 2 325.412 3.142 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2csc(-c3ccccc3)n2)C1=O ZINC000337180438 456334934 /nfs/dbraw/zinc/33/49/34/456334934.db2.gz LXEKVKNFGPUJEO-INIZCTEOSA-N 1 2 327.453 3.029 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2csc(-c3ccccc3)n2)C1=O ZINC000337180438 456334940 /nfs/dbraw/zinc/33/49/40/456334940.db2.gz LXEKVKNFGPUJEO-INIZCTEOSA-N 1 2 327.453 3.029 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000352867438 456375343 /nfs/dbraw/zinc/37/53/43/456375343.db2.gz JRDFJOGJFQDRQV-MRXNPFEDSA-N 1 2 342.439 3.486 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000352867438 456375350 /nfs/dbraw/zinc/37/53/50/456375350.db2.gz JRDFJOGJFQDRQV-MRXNPFEDSA-N 1 2 342.439 3.486 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000352900259 456400214 /nfs/dbraw/zinc/40/02/14/456400214.db2.gz GJDSEWJZAWXIRP-SFHVURJKSA-N 1 2 346.519 3.489 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000352900259 456400220 /nfs/dbraw/zinc/40/02/20/456400220.db2.gz GJDSEWJZAWXIRP-SFHVURJKSA-N 1 2 346.519 3.489 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C(N)=O)c1ccccc1 ZINC000352899219 456400339 /nfs/dbraw/zinc/40/03/39/456400339.db2.gz CAEGMBDVABDZCN-SFHVURJKSA-N 1 2 326.444 3.069 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C(N)=O)c1ccccc1 ZINC000352899219 456400344 /nfs/dbraw/zinc/40/03/44/456400344.db2.gz CAEGMBDVABDZCN-SFHVURJKSA-N 1 2 326.444 3.069 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000298307675 456420716 /nfs/dbraw/zinc/42/07/16/456420716.db2.gz YLBVRHZWKJHKQX-IBGZPJMESA-N 1 2 337.398 3.149 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000298307675 456420721 /nfs/dbraw/zinc/42/07/21/456420721.db2.gz YLBVRHZWKJHKQX-IBGZPJMESA-N 1 2 337.398 3.149 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NCc1cc(C#N)cs1)c1ccccc1F ZINC000343153927 456437936 /nfs/dbraw/zinc/43/79/36/456437936.db2.gz NVQQWRJDYWWFSB-INIZCTEOSA-N 1 2 326.400 3.372 20 30 EGEDLO CC(C)[C@@H](NC(=O)CCCCOc1cccc(C#N)c1)c1[nH]cc[nH+]1 ZINC000276687599 456551975 /nfs/dbraw/zinc/55/19/75/456551975.db2.gz WXMCRZKCPXUDOM-GOSISDBHSA-N 1 2 340.427 3.344 20 30 EGEDLO C=C(C)[C@H](Nc1cc(NC[C@@H](C)O)[nH+]cn1)c1ccc(F)c(F)c1 ZINC000299140449 456617983 /nfs/dbraw/zinc/61/79/83/456617983.db2.gz YEYGIVLXCJPMLE-DIFFPNOSSA-N 1 2 334.370 3.277 20 30 EGEDLO C=C(C)[C@H](Nc1cc(NC[C@@H](C)O)nc[nH+]1)c1ccc(F)c(F)c1 ZINC000299140449 456617989 /nfs/dbraw/zinc/61/79/89/456617989.db2.gz YEYGIVLXCJPMLE-DIFFPNOSSA-N 1 2 334.370 3.277 20 30 EGEDLO CSc1nnc(CCC/[NH+]=C/c2cccc(O)c2O)n1CC(C)C ZINC000299368634 456671565 /nfs/dbraw/zinc/67/15/65/456671565.db2.gz YQOLVOGAKQSOJL-VCHYOVAHSA-N 1 2 348.472 3.119 20 30 EGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCc1ccc(Cl)cc1)CCC2 ZINC000328638101 456726110 /nfs/dbraw/zinc/72/61/10/456726110.db2.gz BHULWYZURDLSFK-CQSZACIVSA-N 1 2 332.835 3.426 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC[C@@H](C(F)(F)F)C1)CCC2 ZINC000328666312 456732377 /nfs/dbraw/zinc/73/23/77/456732377.db2.gz ZVCJCJJAMQOSNQ-QWHCGFSZSA-N 1 2 344.381 3.257 20 30 EGEDLO C=C(C)[C@H](CC(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1)OCC ZINC000338260825 456737593 /nfs/dbraw/zinc/73/75/93/456737593.db2.gz JQMLLBIDLPVSDC-SJORKVTESA-N 1 2 336.863 3.184 20 30 EGEDLO C=C(C)[C@H](CC(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1)OCC ZINC000338260824 456738501 /nfs/dbraw/zinc/73/85/01/456738501.db2.gz JQMLLBIDLPVSDC-IRXDYDNUSA-N 1 2 336.863 3.184 20 30 EGEDLO CC[C@H](C(=O)Nc1ccc(N2CCCC2)cn1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000328792749 456763380 /nfs/dbraw/zinc/76/33/80/456763380.db2.gz ROGYCMDJYVQSGT-DLBZAZTESA-N 1 2 346.475 3.159 20 30 EGEDLO CC[C@H](C(=O)Nc1ccc(N2CCCC2)cn1)[N@H+]1CCO[C@@H](CC)C1 ZINC000328792749 456763387 /nfs/dbraw/zinc/76/33/87/456763387.db2.gz ROGYCMDJYVQSGT-DLBZAZTESA-N 1 2 346.475 3.159 20 30 EGEDLO Cc1nc(N2CC[NH+](Cc3cccc(C#N)c3F)CC2)sc1C ZINC000340955117 456782202 /nfs/dbraw/zinc/78/22/02/456782202.db2.gz MZXJAIQFTIHQSM-UHFFFAOYSA-N 1 2 330.432 3.093 20 30 EGEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)c1 ZINC000328902782 456788324 /nfs/dbraw/zinc/78/83/24/456788324.db2.gz HAAUPMWMJBVDSX-QAPCUYQASA-N 1 2 338.411 3.383 20 30 EGEDLO C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000283501794 456793162 /nfs/dbraw/zinc/79/31/62/456793162.db2.gz DRPJSMAELRWJIF-MRXNPFEDSA-N 1 2 343.475 3.283 20 30 EGEDLO CCn1c2ccccc2[nH+]c1CCNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000301108685 456799483 /nfs/dbraw/zinc/79/94/83/456799483.db2.gz QSWTZIODEJVVRY-UHFFFAOYSA-N 1 2 335.367 3.491 20 30 EGEDLO Cc1noc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(C)cc3F)C2)n1 ZINC000329032023 456819153 /nfs/dbraw/zinc/81/91/53/456819153.db2.gz LPDKMCYTHCNALQ-YPMHNXCESA-N 1 2 332.379 3.292 20 30 EGEDLO Cc1noc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc(C)cc3F)C2)n1 ZINC000329032023 456819159 /nfs/dbraw/zinc/81/91/59/456819159.db2.gz LPDKMCYTHCNALQ-YPMHNXCESA-N 1 2 332.379 3.292 20 30 EGEDLO Cc1noc([C@H]2CC[N@H+](CC(=O)Nc3ccc(F)cc3Cl)C2)n1 ZINC000329067099 456827511 /nfs/dbraw/zinc/82/75/11/456827511.db2.gz WWCXSRUROMAVRY-JTQLQIEISA-N 1 2 338.770 3.248 20 30 EGEDLO Cc1noc([C@H]2CC[N@@H+](CC(=O)Nc3ccc(F)cc3Cl)C2)n1 ZINC000329067099 456827514 /nfs/dbraw/zinc/82/75/14/456827514.db2.gz WWCXSRUROMAVRY-JTQLQIEISA-N 1 2 338.770 3.248 20 30 EGEDLO Cc1cc(Cl)c2ncc(C#N)c(NCC[N@H+]3CCOC[C@@H]3C)c2c1 ZINC000338488137 456830760 /nfs/dbraw/zinc/83/07/60/456830760.db2.gz VRWICWQLLOBJFG-ZDUSSCGKSA-N 1 2 344.846 3.201 20 30 EGEDLO Cc1cc(Cl)c2ncc(C#N)c(NCC[N@@H+]3CCOC[C@@H]3C)c2c1 ZINC000338488137 456830763 /nfs/dbraw/zinc/83/07/63/456830763.db2.gz VRWICWQLLOBJFG-ZDUSSCGKSA-N 1 2 344.846 3.201 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccnc(C2CC2)c1)C1CCOCC1 ZINC000329108657 456836529 /nfs/dbraw/zinc/83/65/29/456836529.db2.gz FRMDYBSTYJEZHZ-KRWDZBQOSA-N 1 2 340.427 3.165 20 30 EGEDLO O=C(Nc1nc(C2CCOCC2)cs1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329222608 456856179 /nfs/dbraw/zinc/85/61/79/456856179.db2.gz WRSUIJRSXDTLEV-LBPRGKRZSA-N 1 2 332.429 3.084 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCCC2(CC2)C1)C1CCOCC1 ZINC000329244882 456859719 /nfs/dbraw/zinc/85/97/19/456859719.db2.gz UWSACYNILYSFEP-MRXNPFEDSA-N 1 2 346.475 3.161 20 30 EGEDLO Cc1c(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cnn1C1CCCCC1 ZINC000329296828 456868763 /nfs/dbraw/zinc/86/87/63/456868763.db2.gz KOYDTMUWZALQPN-CYBMUJFWSA-N 1 2 327.432 3.282 20 30 EGEDLO Cc1c(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cnn1C1CCCCC1 ZINC000329296828 456868769 /nfs/dbraw/zinc/86/87/69/456868769.db2.gz KOYDTMUWZALQPN-CYBMUJFWSA-N 1 2 327.432 3.282 20 30 EGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H](C1CC1)C(F)(F)F)C2 ZINC000329305867 456869578 /nfs/dbraw/zinc/86/95/78/456869578.db2.gz AYEFIOYAVRJGQB-ZDUSSCGKSA-N 1 2 344.381 3.157 20 30 EGEDLO CCC1(C)CCN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CC1 ZINC000329356276 456878373 /nfs/dbraw/zinc/87/83/73/456878373.db2.gz WCZNSKBPWVIBPT-MRXNPFEDSA-N 1 2 348.491 3.314 20 30 EGEDLO C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1OCCc2sccc21 ZINC000329409209 456886115 /nfs/dbraw/zinc/88/61/15/456886115.db2.gz BOCJXWCMERZEAY-OZVIIMIRSA-N 1 2 331.441 3.166 20 30 EGEDLO CC(C)C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CCO1 ZINC000329418945 456887251 /nfs/dbraw/zinc/88/72/51/456887251.db2.gz DWCFOHLZYPGCTC-BSDSXHPESA-N 1 2 348.491 3.274 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]([NH+]=C([O-])N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CCO1 ZINC000329418945 456887254 /nfs/dbraw/zinc/88/72/54/456887254.db2.gz DWCFOHLZYPGCTC-BSDSXHPESA-N 1 2 348.491 3.274 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)NCC3CCCCC3)C2)[nH]1 ZINC000329452551 456892842 /nfs/dbraw/zinc/89/28/42/456892842.db2.gz NJBPARJTKQHHBB-CZUORRHYSA-N 1 2 333.480 3.218 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)C(=O)NCC3CCCCC3)C2)[nH]1 ZINC000329452551 456892845 /nfs/dbraw/zinc/89/28/45/456892845.db2.gz NJBPARJTKQHHBB-CZUORRHYSA-N 1 2 333.480 3.218 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@H](C)C(=O)NCC3CCCCC3)C2)n1 ZINC000329452551 456892847 /nfs/dbraw/zinc/89/28/47/456892847.db2.gz NJBPARJTKQHHBB-CZUORRHYSA-N 1 2 333.480 3.218 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@H](C)C(=O)NCC3CCCCC3)C2)n1 ZINC000329452551 456892852 /nfs/dbraw/zinc/89/28/52/456892852.db2.gz NJBPARJTKQHHBB-CZUORRHYSA-N 1 2 333.480 3.218 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@H+]([C@H](C)C(=O)NCC3CCCCC3)C2)n[nH]1 ZINC000329452551 456892859 /nfs/dbraw/zinc/89/28/59/456892859.db2.gz NJBPARJTKQHHBB-CZUORRHYSA-N 1 2 333.480 3.218 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1C[C@@H]2CCC[C@@H]2C1)C1CCOCC1 ZINC000329501321 456901721 /nfs/dbraw/zinc/90/17/21/456901721.db2.gz VYJCTNZUOJKWCZ-IXDOHACOSA-N 1 2 346.475 3.017 20 30 EGEDLO O=C(NCc1nc2ccccc2n1C1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329543193 456906360 /nfs/dbraw/zinc/90/63/60/456906360.db2.gz YEBSFRJWLZUNIE-CYBMUJFWSA-N 1 2 335.411 3.287 20 30 EGEDLO CC(=O)N1CCC(CCC(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000329790810 456941199 /nfs/dbraw/zinc/94/11/99/456941199.db2.gz DBBNEGQNGLANKJ-UHFFFAOYSA-N 1 2 328.416 3.269 20 30 EGEDLO CC1(C)C[N@H+](CC(=O)Nc2nc3c(s2)CCC3)[C@@H]1[C@H]1CCCO1 ZINC000329808162 456943654 /nfs/dbraw/zinc/94/36/54/456943654.db2.gz BPLNMZYQWHIUSG-IUODEOHRSA-N 1 2 335.473 3.109 20 30 EGEDLO CC1(C)C[N@@H+](CC(=O)Nc2nc3c(s2)CCC3)[C@@H]1[C@H]1CCCO1 ZINC000329808162 456943657 /nfs/dbraw/zinc/94/36/57/456943657.db2.gz BPLNMZYQWHIUSG-IUODEOHRSA-N 1 2 335.473 3.109 20 30 EGEDLO CC(C)(C)c1cnc(NC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)s1 ZINC000329857665 456952038 /nfs/dbraw/zinc/95/20/38/456952038.db2.gz ZIDIFCKWXJYKCW-NSHDSACASA-N 1 2 333.461 3.226 20 30 EGEDLO Cc1ccc(C[C@H](C)N(C)C([O-])=[NH+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000329963373 456967629 /nfs/dbraw/zinc/96/76/29/456967629.db2.gz SOPWAUVZBYXMLY-FUHWJXTLSA-N 1 2 340.471 3.231 20 30 EGEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2CC23CCCC3)nc[nH+]1 ZINC000330022863 456976319 /nfs/dbraw/zinc/97/63/19/456976319.db2.gz HTDLGTHNWZHAIF-ZIAGYGMSSA-N 1 2 329.448 3.024 20 30 EGEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2CC23CCCC3)[nH+]cn1 ZINC000330022863 456976322 /nfs/dbraw/zinc/97/63/22/456976322.db2.gz HTDLGTHNWZHAIF-ZIAGYGMSSA-N 1 2 329.448 3.024 20 30 EGEDLO CCc1ccc([C@@H](C#N)NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000345746794 456990895 /nfs/dbraw/zinc/99/08/95/456990895.db2.gz GSBJFMSDWPZMOE-HXUWFJFHSA-N 1 2 344.418 3.488 20 30 EGEDLO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330187981 456998551 /nfs/dbraw/zinc/99/85/51/456998551.db2.gz KUQGWMZEAJMXKC-SNUQEOBHSA-N 1 2 342.418 3.164 20 30 EGEDLO Cc1oc(NC(=O)C[NH+]2CCC(CC(F)(F)F)CC2)c(C#N)c1C ZINC000341999793 457052858 /nfs/dbraw/zinc/05/28/58/457052858.db2.gz YHFWNHXMDRJOHN-UHFFFAOYSA-N 1 2 343.349 3.371 20 30 EGEDLO COc1ccc(OCC[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000362711751 457055887 /nfs/dbraw/zinc/05/58/87/457055887.db2.gz RNIMXLNBXHKAOT-HXUWFJFHSA-N 1 2 338.407 3.019 20 30 EGEDLO COc1ccc(OCC[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000362711751 457055892 /nfs/dbraw/zinc/05/58/92/457055892.db2.gz RNIMXLNBXHKAOT-HXUWFJFHSA-N 1 2 338.407 3.019 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2sc(C)nc2C(F)(F)F)CC1 ZINC000342016545 457061422 /nfs/dbraw/zinc/06/14/22/457061422.db2.gz LDGYOBPTLNTMJH-UHFFFAOYSA-N 1 2 333.379 3.223 20 30 EGEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)Nc1ccc(Br)cc1 ZINC000330829619 457091568 /nfs/dbraw/zinc/09/15/68/457091568.db2.gz JJVVKDMQWSHISW-WDMOLILDSA-N 1 2 336.233 3.058 20 30 EGEDLO CC[C@@H](NC(=O)CCCCOc1cccc(C#N)c1)c1[nH]cc[nH+]1 ZINC000354177091 457111796 /nfs/dbraw/zinc/11/17/96/457111796.db2.gz YVOYUJDEPNJRMF-MRXNPFEDSA-N 1 2 326.400 3.098 20 30 EGEDLO COc1cc[nH+]cc1NC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000346706140 457122706 /nfs/dbraw/zinc/12/27/06/457122706.db2.gz OGCBXQZPCMRJED-QGZVFWFLSA-N 1 2 325.368 3.004 20 30 EGEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)CC(C)(C)C#N)CC1 ZINC000354202635 457126779 /nfs/dbraw/zinc/12/67/79/457126779.db2.gz DIXWFTQCWCWOQI-QGZVFWFLSA-N 1 2 349.425 3.500 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2cc(OC)c(Cl)cc2C1 ZINC000339736266 457241438 /nfs/dbraw/zinc/24/14/38/457241438.db2.gz LOVQFXQUXIJKDK-UHFFFAOYSA-N 1 2 336.863 3.131 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2cc(OC)c(Cl)cc2C1 ZINC000339736266 457241444 /nfs/dbraw/zinc/24/14/44/457241444.db2.gz LOVQFXQUXIJKDK-UHFFFAOYSA-N 1 2 336.863 3.131 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1OC ZINC000354730100 457316996 /nfs/dbraw/zinc/31/69/96/457316996.db2.gz ZFKUGGAQKJGBLM-VQTJNVASSA-N 1 2 329.440 3.403 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1OC ZINC000354730100 457317003 /nfs/dbraw/zinc/31/70/03/457317003.db2.gz ZFKUGGAQKJGBLM-VQTJNVASSA-N 1 2 329.440 3.403 20 30 EGEDLO Cc1cc(NC(=O)c2cnn(C)c2C#N)ccc1Oc1cc[nH+]cc1 ZINC000357116829 457331459 /nfs/dbraw/zinc/33/14/59/457331459.db2.gz BKOHYAMETOXZJG-UHFFFAOYSA-N 1 2 333.351 3.040 20 30 EGEDLO Cn1cccc1C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000355275274 457353264 /nfs/dbraw/zinc/35/32/64/457353264.db2.gz DKEUCTWITGHNJJ-GOSISDBHSA-N 1 2 328.847 3.061 20 30 EGEDLO N#CC1(F)CC[NH+](CCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000352462278 457386707 /nfs/dbraw/zinc/38/67/07/457386707.db2.gz BQGGERIYFQVQNM-UHFFFAOYSA-N 1 2 338.810 3.371 20 30 EGEDLO CC[N@@H+](Cc1cc(OC)c(OCC(F)F)c(OC)c1)C[C@@H](C)C#N ZINC000347614236 457550158 /nfs/dbraw/zinc/55/01/58/457550158.db2.gz PFEUUTDQHYUZHH-LBPRGKRZSA-N 1 2 342.386 3.329 20 30 EGEDLO CC[N@H+](Cc1cc(OC)c(OCC(F)F)c(OC)c1)C[C@@H](C)C#N ZINC000347614236 457550163 /nfs/dbraw/zinc/55/01/63/457550163.db2.gz PFEUUTDQHYUZHH-LBPRGKRZSA-N 1 2 342.386 3.329 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2cc(Cl)c(OC)c(OC)c2)CC1 ZINC000342840505 457552163 /nfs/dbraw/zinc/55/21/63/457552163.db2.gz RJWWAKJNZKJWMD-UHFFFAOYSA-N 1 2 338.835 3.109 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000425531605 457587107 /nfs/dbraw/zinc/58/71/07/457587107.db2.gz HVIDTCAJDUULGJ-CYBMUJFWSA-N 1 2 340.427 3.475 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000425531605 457587112 /nfs/dbraw/zinc/58/71/12/457587112.db2.gz HVIDTCAJDUULGJ-CYBMUJFWSA-N 1 2 340.427 3.475 20 30 EGEDLO CCS(=O)(=O)CCCCC[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000365055956 457725383 /nfs/dbraw/zinc/72/53/83/457725383.db2.gz RMLWPJGENFIKIN-RBUKOAKNSA-N 1 2 348.512 3.363 20 30 EGEDLO CCS(=O)(=O)CCCCC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000365055956 457725386 /nfs/dbraw/zinc/72/53/86/457725386.db2.gz RMLWPJGENFIKIN-RBUKOAKNSA-N 1 2 348.512 3.363 20 30 EGEDLO N#CCC[C@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000370873613 457732045 /nfs/dbraw/zinc/73/20/45/457732045.db2.gz SBAOULSYVOFPTN-SJORKVTESA-N 1 2 337.427 3.344 20 30 EGEDLO CC[N@H+](CCC#N)C[C@@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000357963719 457734043 /nfs/dbraw/zinc/73/40/43/457734043.db2.gz QOLVWPXRVGQXLO-QGZVFWFLSA-N 1 2 340.423 3.454 20 30 EGEDLO CC[N@@H+](CCC#N)C[C@@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000357963719 457734045 /nfs/dbraw/zinc/73/40/45/457734045.db2.gz QOLVWPXRVGQXLO-QGZVFWFLSA-N 1 2 340.423 3.454 20 30 EGEDLO C[N@@H+]1CCN(C(=O)[C@H](C#N)CCc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000433231280 457785339 /nfs/dbraw/zinc/78/53/39/457785339.db2.gz XPUIGLUFEVAETQ-LEWJYISDSA-N 1 2 347.462 3.274 20 30 EGEDLO C[N@H+]1CCN(C(=O)[C@H](C#N)CCc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000433231280 457785346 /nfs/dbraw/zinc/78/53/46/457785346.db2.gz XPUIGLUFEVAETQ-LEWJYISDSA-N 1 2 347.462 3.274 20 30 EGEDLO C[N@@H+]1CCN(C(=O)[C@@H](C#N)CCc2ccccc2)[C@H](c2ccccc2)C1 ZINC000433231283 457785508 /nfs/dbraw/zinc/78/55/08/457785508.db2.gz XPUIGLUFEVAETQ-RTWAWAEBSA-N 1 2 347.462 3.274 20 30 EGEDLO C[N@H+]1CCN(C(=O)[C@@H](C#N)CCc2ccccc2)[C@H](c2ccccc2)C1 ZINC000433231283 457785515 /nfs/dbraw/zinc/78/55/15/457785515.db2.gz XPUIGLUFEVAETQ-RTWAWAEBSA-N 1 2 347.462 3.274 20 30 EGEDLO O=C(c1ccco1)N1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000366466261 457816440 /nfs/dbraw/zinc/81/64/40/457816440.db2.gz KATLIXHRTWDJIF-UHFFFAOYSA-N 1 2 342.826 3.133 20 30 EGEDLO O=C(c1ccco1)N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000366466261 457816452 /nfs/dbraw/zinc/81/64/52/457816452.db2.gz KATLIXHRTWDJIF-UHFFFAOYSA-N 1 2 342.826 3.133 20 30 EGEDLO CC(C)(C)C(=O)N1CC[N@H+](Cc2ccc(C#N)c(F)c2)C(C)(C)C1 ZINC000361869907 457918560 /nfs/dbraw/zinc/91/85/60/457918560.db2.gz YHCIQNAEWDTCQU-UHFFFAOYSA-N 1 2 331.435 3.166 20 30 EGEDLO CC(C)(C)C(=O)N1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C(C)(C)C1 ZINC000361869907 457918565 /nfs/dbraw/zinc/91/85/65/457918565.db2.gz YHCIQNAEWDTCQU-UHFFFAOYSA-N 1 2 331.435 3.166 20 30 EGEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000369148462 458101535 /nfs/dbraw/zinc/10/15/35/458101535.db2.gz UDHKNAGMTIDZTM-QGZVFWFLSA-N 1 2 336.439 3.265 20 30 EGEDLO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1 ZINC000428393497 458133109 /nfs/dbraw/zinc/13/31/09/458133109.db2.gz YFCMWFUQMWJEKO-SCLBCKFNSA-N 1 2 326.371 3.337 20 30 EGEDLO C#CCN(Cc1ccccc1)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000376205665 458232441 /nfs/dbraw/zinc/23/24/41/458232441.db2.gz SCLWKHSQRHFIMI-QGZVFWFLSA-N 1 2 335.451 3.300 20 30 EGEDLO C#CCN(Cc1ccccc1)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000376205665 458232447 /nfs/dbraw/zinc/23/24/47/458232447.db2.gz SCLWKHSQRHFIMI-QGZVFWFLSA-N 1 2 335.451 3.300 20 30 EGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000459115725 458268612 /nfs/dbraw/zinc/26/86/12/458268612.db2.gz OFWMVJXLSBMBQX-HNNXBMFYSA-N 1 2 342.443 3.370 20 30 EGEDLO COc1cc(C#N)ccc1C[NH2+][C@H](c1cnn(C)c1)c1ccccc1 ZINC000376346393 458273527 /nfs/dbraw/zinc/27/35/27/458273527.db2.gz DVIIGYZMDZPCBN-FQEVSTJZSA-N 1 2 332.407 3.180 20 30 EGEDLO COc1cccc(OCC[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000372345473 458284512 /nfs/dbraw/zinc/28/45/12/458284512.db2.gz KJJVEHMKLHNAPC-FQEVSTJZSA-N 1 2 338.407 3.019 20 30 EGEDLO COc1cccc(OCC[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000372345473 458284522 /nfs/dbraw/zinc/28/45/22/458284522.db2.gz KJJVEHMKLHNAPC-FQEVSTJZSA-N 1 2 338.407 3.019 20 30 EGEDLO CC1CCN(c2ccc(CNc3ncc(C#N)cc3F)c[nH+]2)CC1 ZINC000413059515 458293044 /nfs/dbraw/zinc/29/30/44/458293044.db2.gz FXRIGRYSDAXNQB-UHFFFAOYSA-N 1 2 325.391 3.336 20 30 EGEDLO COc1ccccc1-c1noc([C@H](C)[NH2+]Cc2cccc(C#N)c2)n1 ZINC000369672167 458311693 /nfs/dbraw/zinc/31/16/93/458311693.db2.gz MKOBDNCVCNEDLE-ZDUSSCGKSA-N 1 2 334.379 3.468 20 30 EGEDLO N#CC1CC[NH+](Cc2ccc(F)cc2I)CC1 ZINC000417755761 458367716 /nfs/dbraw/zinc/36/77/16/458367716.db2.gz RKOWPCMHIDJCQL-UHFFFAOYSA-N 1 2 344.171 3.166 20 30 EGEDLO CC1(C)C[N@H+](CC(=O)NCc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000376899860 458417091 /nfs/dbraw/zinc/41/70/91/458417091.db2.gz YPQUGHQPGVGPNR-GOSISDBHSA-N 1 2 339.464 3.319 20 30 EGEDLO CC1(C)C[N@@H+](CC(=O)NCc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000376899860 458417096 /nfs/dbraw/zinc/41/70/96/458417096.db2.gz YPQUGHQPGVGPNR-GOSISDBHSA-N 1 2 339.464 3.319 20 30 EGEDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1CC1(C#N)CCC1 ZINC000450563104 458452059 /nfs/dbraw/zinc/45/20/59/458452059.db2.gz HCCJSMGUIMWPIN-MRXNPFEDSA-N 1 2 327.428 3.100 20 30 EGEDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1CC1(C#N)CCC1 ZINC000450563104 458452062 /nfs/dbraw/zinc/45/20/62/458452062.db2.gz HCCJSMGUIMWPIN-MRXNPFEDSA-N 1 2 327.428 3.100 20 30 EGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(CF)CC1 ZINC000451394026 458476269 /nfs/dbraw/zinc/47/62/69/458476269.db2.gz NVXBHXAGZOVAEI-LLVKDONJSA-N 1 2 335.448 3.117 20 30 EGEDLO C[C@H](O)c1ncc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)s1 ZINC000377621481 458505676 /nfs/dbraw/zinc/50/56/76/458505676.db2.gz XGYVVMFQVYNMBD-IAOVAPTHSA-N 1 2 327.453 3.468 20 30 EGEDLO C[C@H](O)c1ncc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)s1 ZINC000377621481 458505679 /nfs/dbraw/zinc/50/56/79/458505679.db2.gz XGYVVMFQVYNMBD-IAOVAPTHSA-N 1 2 327.453 3.468 20 30 EGEDLO COc1ccc(C#N)cc1C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000437892301 458508863 /nfs/dbraw/zinc/50/88/63/458508863.db2.gz RVUCNYKOMLZSBM-IBGZPJMESA-N 1 2 349.434 3.194 20 30 EGEDLO COc1ccc(C#N)cc1C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000437892301 458508869 /nfs/dbraw/zinc/50/88/69/458508869.db2.gz RVUCNYKOMLZSBM-IBGZPJMESA-N 1 2 349.434 3.194 20 30 EGEDLO C=CC[N@H+](Cc1cccn1C)[C@H](Cc1ccccc1)C(=O)OCC ZINC000438278008 458554538 /nfs/dbraw/zinc/55/45/38/458554538.db2.gz DFVFXMRGLODCQI-LJQANCHMSA-N 1 2 326.440 3.188 20 30 EGEDLO C=CC[N@@H+](Cc1cccn1C)[C@H](Cc1ccccc1)C(=O)OCC ZINC000438278008 458554545 /nfs/dbraw/zinc/55/45/45/458554545.db2.gz DFVFXMRGLODCQI-LJQANCHMSA-N 1 2 326.440 3.188 20 30 EGEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(Br)c(F)c2)nn1 ZINC000424297527 458608273 /nfs/dbraw/zinc/60/82/73/458608273.db2.gz QVBBQXYMLAZZGH-JTQLQIEISA-N 1 2 339.212 3.217 20 30 EGEDLO N#CCc1cccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000455919576 458621347 /nfs/dbraw/zinc/62/13/47/458621347.db2.gz MGHMMQXRVMOSSU-UHFFFAOYSA-N 1 2 349.438 3.460 20 30 EGEDLO C[C@@H](c1ncc(Br)cn1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000439000142 458641293 /nfs/dbraw/zinc/64/12/93/458641293.db2.gz WGYSGMQZTSSWID-NSHDSACASA-N 1 2 331.217 3.304 20 30 EGEDLO C[C@@H](c1ncc(Br)cn1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000439000142 458641302 /nfs/dbraw/zinc/64/13/02/458641302.db2.gz WGYSGMQZTSSWID-NSHDSACASA-N 1 2 331.217 3.304 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000432024455 458663226 /nfs/dbraw/zinc/66/32/26/458663226.db2.gz LAKVKPUHUBYMSA-KDOFPFPSSA-N 1 2 349.425 3.500 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000432024455 458663232 /nfs/dbraw/zinc/66/32/32/458663232.db2.gz LAKVKPUHUBYMSA-KDOFPFPSSA-N 1 2 349.425 3.500 20 30 EGEDLO C=CCCn1cc(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)nn1 ZINC000424621800 458684201 /nfs/dbraw/zinc/68/42/01/458684201.db2.gz BDXYTJBTRGUUNV-UHFFFAOYSA-N 1 2 336.399 3.250 20 30 EGEDLO CCc1[nH+]c2ccccc2n1CC(=O)N(CCC#N)CCC(C)C ZINC000505213371 458741865 /nfs/dbraw/zinc/74/18/65/458741865.db2.gz LOCNAOIGRYIIFL-UHFFFAOYSA-N 1 2 326.444 3.387 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccccc1CC)Cc1ccc(CO)o1 ZINC000512185967 458783153 /nfs/dbraw/zinc/78/31/53/458783153.db2.gz LGYPBLHIAWNDJJ-UHFFFAOYSA-N 1 2 342.439 3.351 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)Nc1ccccc1CC)Cc1ccc(CO)o1 ZINC000512185967 458783158 /nfs/dbraw/zinc/78/31/58/458783158.db2.gz LGYPBLHIAWNDJJ-UHFFFAOYSA-N 1 2 342.439 3.351 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)Nc1ccccc1Cl)Cc1ccc(CO)o1 ZINC000512209835 458783225 /nfs/dbraw/zinc/78/32/25/458783225.db2.gz CRISPWHBQYKWRA-UHFFFAOYSA-N 1 2 348.830 3.442 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccccc1Cl)Cc1ccc(CO)o1 ZINC000512209835 458783233 /nfs/dbraw/zinc/78/32/33/458783233.db2.gz CRISPWHBQYKWRA-UHFFFAOYSA-N 1 2 348.830 3.442 20 30 EGEDLO CC[C@@H](CC#N)[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000515864451 458813317 /nfs/dbraw/zinc/81/33/17/458813317.db2.gz DBJPTLZCMHKSLX-JSGCOSHPSA-N 1 2 325.334 3.093 20 30 EGEDLO CC1CCC(NC(=O)C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000530733061 458819238 /nfs/dbraw/zinc/81/92/38/458819238.db2.gz ZTWVNBWUSSEBIF-HFPIOELMSA-N 1 2 339.483 3.453 20 30 EGEDLO CC1CCC(NC(=O)C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000530733061 458819241 /nfs/dbraw/zinc/81/92/41/458819241.db2.gz ZTWVNBWUSSEBIF-HFPIOELMSA-N 1 2 339.483 3.453 20 30 EGEDLO Cc1csc(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1C#N ZINC000555879930 458916180 /nfs/dbraw/zinc/91/61/80/458916180.db2.gz HMDPAACJDKQWMB-UHFFFAOYSA-N 1 2 341.440 3.245 20 30 EGEDLO COc1cc(C[NH+]2CCN(C/C=C\c3ccccc3)CC2)ccc1C#N ZINC000442801744 459040026 /nfs/dbraw/zinc/04/00/26/459040026.db2.gz QHFYQUUTNHNWFJ-YVMONPNESA-N 1 2 347.462 3.398 20 30 EGEDLO CC[C@]1(C)C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000442885338 459052736 /nfs/dbraw/zinc/05/27/36/459052736.db2.gz WJOZRBRETVQQEB-MRXNPFEDSA-N 1 2 327.346 3.438 20 30 EGEDLO CC[C@]1(C)C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000442885338 459052740 /nfs/dbraw/zinc/05/27/40/459052740.db2.gz WJOZRBRETVQQEB-MRXNPFEDSA-N 1 2 327.346 3.438 20 30 EGEDLO Cc1cc(N2CCC(CCNC(=O)OC(C)(C)C)CC2)c(C#N)c[nH+]1 ZINC000496088478 459061948 /nfs/dbraw/zinc/06/19/48/459061948.db2.gz RVZCAFZJCXCWIJ-UHFFFAOYSA-N 1 2 344.459 3.393 20 30 EGEDLO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1nc([C@H]2CCCO2)n[nH]1 ZINC000594511420 459069822 /nfs/dbraw/zinc/06/98/22/459069822.db2.gz NAJCBHIIRIVINC-DLBZAZTESA-N 1 2 337.427 3.085 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCCO[C@H](C(C)C)C2)c1C#N ZINC000590211095 459101062 /nfs/dbraw/zinc/10/10/62/459101062.db2.gz BTKQKOVXNNSRBV-FQEVSTJZSA-N 1 2 338.455 3.299 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCCO[C@H](C(C)C)C2)c1C#N ZINC000590211095 459101065 /nfs/dbraw/zinc/10/10/65/459101065.db2.gz BTKQKOVXNNSRBV-FQEVSTJZSA-N 1 2 338.455 3.299 20 30 EGEDLO CCc1ccc([C@@H](C#N)N(C)C(=O)C2CC[NH+](CC(F)F)CC2)cc1 ZINC000578080473 459142913 /nfs/dbraw/zinc/14/29/13/459142913.db2.gz XVZUNCNAQLIHJA-QGZVFWFLSA-N 1 2 349.425 3.249 20 30 EGEDLO C=CCn1cc(C[NH2+][C@H](C)c2sccc2Br)nn1 ZINC000578498267 459211701 /nfs/dbraw/zinc/21/17/01/459211701.db2.gz OHWXBMAGOHLQGM-SECBINFHSA-N 1 2 327.251 3.139 20 30 EGEDLO C[C@@H](NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C)c1cccc(C#N)c1 ZINC000590808478 459228839 /nfs/dbraw/zinc/22/88/39/459228839.db2.gz FTIMNXOOBVRRIT-CJNGLKHVSA-N 1 2 337.427 3.145 20 30 EGEDLO Cc1sc(NC(=O)C[NH+]2CCC(CCC#N)CC2)c(C#N)c1C ZINC000578885662 459240205 /nfs/dbraw/zinc/24/02/05/459240205.db2.gz GFYPYQYAFXUDEQ-UHFFFAOYSA-N 1 2 330.457 3.191 20 30 EGEDLO N#C[C@@]1(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC12CCCC2 ZINC000579916703 459252883 /nfs/dbraw/zinc/25/28/83/459252883.db2.gz JFSZRJVAMFEOHT-OAQYLSRUSA-N 1 2 348.450 3.064 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000579975090 459254629 /nfs/dbraw/zinc/25/46/29/459254629.db2.gz HMSDFJMJQWZRKB-AAEUAGOBSA-N 1 2 343.349 3.044 20 30 EGEDLO Cc1cc(N2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000496875134 459354667 /nfs/dbraw/zinc/35/46/67/459354667.db2.gz MBQZPJWZQBSADA-HOCLYGCPSA-N 1 2 342.443 3.097 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595612625 459367512 /nfs/dbraw/zinc/36/75/12/459367512.db2.gz YTPNVNOVNKNPFP-QWHCGFSZSA-N 1 2 337.370 3.241 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595612625 459367515 /nfs/dbraw/zinc/36/75/15/459367515.db2.gz YTPNVNOVNKNPFP-QWHCGFSZSA-N 1 2 337.370 3.241 20 30 EGEDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)cc1OCC ZINC000595619242 459369657 /nfs/dbraw/zinc/36/96/57/459369657.db2.gz VWDNSGIFRUDHRA-HNNXBMFYSA-N 1 2 345.443 3.048 20 30 EGEDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)cc1OCC ZINC000595619242 459369665 /nfs/dbraw/zinc/36/96/65/459369665.db2.gz VWDNSGIFRUDHRA-HNNXBMFYSA-N 1 2 345.443 3.048 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000595619584 459372351 /nfs/dbraw/zinc/37/23/51/459372351.db2.gz DQXXHMPMXNMCQS-LRDDRELGSA-N 1 2 335.810 3.210 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000595619584 459372356 /nfs/dbraw/zinc/37/23/56/459372356.db2.gz DQXXHMPMXNMCQS-LRDDRELGSA-N 1 2 335.810 3.210 20 30 EGEDLO COC(=O)c1oc(CNc2[nH+]cccc2OCCCC#N)cc1C ZINC000596025788 459498233 /nfs/dbraw/zinc/49/82/33/459498233.db2.gz ZQJRBEDSRHPNGT-UHFFFAOYSA-N 1 2 329.356 3.064 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[C@@H](C#N)c3ccccn3)cc2)C[C@H](C)O1 ZINC000561975159 459498488 /nfs/dbraw/zinc/49/84/88/459498488.db2.gz JSNZYXNYJDIKBQ-FCEWJHQRSA-N 1 2 349.434 3.181 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccc(C(=O)[C@@H](C#N)c3ccccn3)cc2)C[C@H](C)O1 ZINC000561975159 459498496 /nfs/dbraw/zinc/49/84/96/459498496.db2.gz JSNZYXNYJDIKBQ-FCEWJHQRSA-N 1 2 349.434 3.181 20 30 EGEDLO C[C@H](F)CCO[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000497291372 459518195 /nfs/dbraw/zinc/51/81/95/459518195.db2.gz BXWRCGSITRLRLD-LBPRGKRZSA-N 1 2 339.411 3.096 20 30 EGEDLO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151975 459537258 /nfs/dbraw/zinc/53/72/58/459537258.db2.gz SNTWECUPQDDQBF-SJCJKPOMSA-N 1 2 331.803 3.406 20 30 EGEDLO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151975 459537265 /nfs/dbraw/zinc/53/72/65/459537265.db2.gz SNTWECUPQDDQBF-SJCJKPOMSA-N 1 2 331.803 3.406 20 30 EGEDLO C[C@H]1COC(C)(C)C[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000488204333 459540627 /nfs/dbraw/zinc/54/06/27/459540627.db2.gz XQKSKROOXFRLOO-HNNXBMFYSA-N 1 2 339.439 3.237 20 30 EGEDLO C[C@H]1COC(C)(C)C[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000488204333 459540633 /nfs/dbraw/zinc/54/06/33/459540633.db2.gz XQKSKROOXFRLOO-HNNXBMFYSA-N 1 2 339.439 3.237 20 30 EGEDLO N#CCOc1ccc(/C=C\C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000491413210 459624288 /nfs/dbraw/zinc/62/42/88/459624288.db2.gz CQWIRCJXVLUQON-UXHZXRBQSA-N 1 2 336.395 3.079 20 30 EGEDLO C#CC[N@@H+](Cn1nc2nc(C)cc(C)n2c1=S)C1CCCCC1 ZINC000491507104 459632838 /nfs/dbraw/zinc/63/28/38/459632838.db2.gz TYWRJVGZDNOLAS-UHFFFAOYSA-N 1 2 329.473 3.103 20 30 EGEDLO C#CC[N@H+](Cn1nc2nc(C)cc(C)n2c1=S)C1CCCCC1 ZINC000491507104 459632842 /nfs/dbraw/zinc/63/28/42/459632842.db2.gz TYWRJVGZDNOLAS-UHFFFAOYSA-N 1 2 329.473 3.103 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(Cl)c(OC)c(OC)c2)n1 ZINC000491634018 459643084 /nfs/dbraw/zinc/64/30/84/459643084.db2.gz QSAGAHLNVPYKCX-UHFFFAOYSA-N 1 2 347.846 3.209 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(Cl)c(OC)c(OC)c2)n1 ZINC000491634018 459643090 /nfs/dbraw/zinc/64/30/90/459643090.db2.gz QSAGAHLNVPYKCX-UHFFFAOYSA-N 1 2 347.846 3.209 20 30 EGEDLO C#C[C@H](NC(=O)NCc1cn2ccccc2[nH+]1)c1ccc(Cl)cc1 ZINC000491694981 459655584 /nfs/dbraw/zinc/65/55/84/459655584.db2.gz WQAUTADOLOTSLZ-INIZCTEOSA-N 1 2 338.798 3.161 20 30 EGEDLO C#C[C@@H](C)N(C)C(=O)c1ccccc1OCc1cn2cccc(C)c2[nH+]1 ZINC000491710383 459658735 /nfs/dbraw/zinc/65/87/35/459658735.db2.gz YFYVFPKXHVFPKU-MRXNPFEDSA-N 1 2 347.418 3.315 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@@H](C)c2ccc(F)c(F)c2)n1 ZINC000491800594 459675292 /nfs/dbraw/zinc/67/52/92/459675292.db2.gz AJUDDNPTLNCNSK-AWEZNQCLSA-N 1 2 333.382 3.004 20 30 EGEDLO C#CCn1ccc(C[N@H+](CCOC)[C@@H](C)c2ccc(F)c(F)c2)n1 ZINC000491800594 459675297 /nfs/dbraw/zinc/67/52/97/459675297.db2.gz AJUDDNPTLNCNSK-AWEZNQCLSA-N 1 2 333.382 3.004 20 30 EGEDLO C#C[C@H](C)[N@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000491801888 459676950 /nfs/dbraw/zinc/67/69/50/459676950.db2.gz FAHHOVMWPFLMBW-QMMMGPOBSA-N 1 2 326.219 3.014 20 30 EGEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000491801888 459676956 /nfs/dbraw/zinc/67/69/56/459676956.db2.gz FAHHOVMWPFLMBW-QMMMGPOBSA-N 1 2 326.219 3.014 20 30 EGEDLO C#C[C@@H](NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1ccc(F)cc1 ZINC000491818432 459679462 /nfs/dbraw/zinc/67/94/62/459679462.db2.gz YUOIXZQBSQKBQZ-GDBMZVCRSA-N 1 2 339.414 3.268 20 30 EGEDLO C#C[C@@H](NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1ccc(F)cc1 ZINC000491818432 459679469 /nfs/dbraw/zinc/67/94/69/459679469.db2.gz YUOIXZQBSQKBQZ-GDBMZVCRSA-N 1 2 339.414 3.268 20 30 EGEDLO N#CC1(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CCCCC1 ZINC000596662270 459719147 /nfs/dbraw/zinc/71/91/47/459719147.db2.gz IKNIOCSDLVJWIM-UHFFFAOYSA-N 1 2 331.485 3.256 20 30 EGEDLO C=CCOc1ccc(/C=C/C(=O)NC(C)(C)c2[nH]cc[nH+]2)cc1OC ZINC000493182125 459735745 /nfs/dbraw/zinc/73/57/45/459735745.db2.gz COXWXTSISNSUAK-VQHVLOKHSA-N 1 2 341.411 3.048 20 30 EGEDLO C=CCC1(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)CCC1 ZINC000563614760 459766675 /nfs/dbraw/zinc/76/66/75/459766675.db2.gz YDYGQGWMFKRXCW-UHFFFAOYSA-N 1 2 340.427 3.084 20 30 EGEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000565607337 459786372 /nfs/dbraw/zinc/78/63/72/459786372.db2.gz OEERFNTZXXBKQD-ZANVPECISA-N 1 2 337.210 3.276 20 30 EGEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000565607337 459786374 /nfs/dbraw/zinc/78/63/74/459786374.db2.gz OEERFNTZXXBKQD-ZANVPECISA-N 1 2 337.210 3.276 20 30 EGEDLO Cc1ccc(-c2ncc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)s2)c(C)c1 ZINC000593155336 459790405 /nfs/dbraw/zinc/79/04/05/459790405.db2.gz OQGHXDIYKZLQGT-SFHVURJKSA-N 1 2 342.468 3.001 20 30 EGEDLO Cc1nnc(C[N@@H+](C)Cc2cccc(OCc3cccc(C#N)c3)c2)o1 ZINC000597198257 459873236 /nfs/dbraw/zinc/87/32/36/459873236.db2.gz MMXHGNREIMFVTI-UHFFFAOYSA-N 1 2 348.406 3.461 20 30 EGEDLO Cc1nnc(C[N@H+](C)Cc2cccc(OCc3cccc(C#N)c3)c2)o1 ZINC000597198257 459873238 /nfs/dbraw/zinc/87/32/38/459873238.db2.gz MMXHGNREIMFVTI-UHFFFAOYSA-N 1 2 348.406 3.461 20 30 EGEDLO COc1ccc(C[N@H+](C)Cc2ccc(Br)cc2C#N)cn1 ZINC000588203168 459931397 /nfs/dbraw/zinc/93/13/97/459931397.db2.gz PQUWBBKMZDYDJZ-UHFFFAOYSA-N 1 2 346.228 3.356 20 30 EGEDLO COc1ccc(C[N@@H+](C)Cc2ccc(Br)cc2C#N)cn1 ZINC000588203168 459931402 /nfs/dbraw/zinc/93/14/02/459931402.db2.gz PQUWBBKMZDYDJZ-UHFFFAOYSA-N 1 2 346.228 3.356 20 30 EGEDLO N#Cc1cccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000602428728 459933352 /nfs/dbraw/zinc/93/33/52/459933352.db2.gz JMBWOXIESXKQNB-UHFFFAOYSA-N 1 2 346.356 3.294 20 30 EGEDLO N#C[C@H](NC(=O)CCCn1cc[nH+]c1)c1c(Cl)cccc1Cl ZINC000609594416 459989756 /nfs/dbraw/zinc/98/97/56/459989756.db2.gz BIKAHCDEVHEBFV-ZDUSSCGKSA-N 1 2 337.210 3.351 20 30 EGEDLO COC(=O)[C@H]([NH2+]C[C@H](C)CCC#N)c1ccc(Br)cc1 ZINC000602624796 460030244 /nfs/dbraw/zinc/03/02/44/460030244.db2.gz RUTZZGFUNNLZDA-BXUZGUMPSA-N 1 2 339.233 3.193 20 30 EGEDLO CC(C)(C#N)C[C@@H](O)C[NH+]1CC(Oc2cccc(Cl)c2Cl)C1 ZINC000598706434 460000908 /nfs/dbraw/zinc/00/09/08/460000908.db2.gz SHACXQGNOIXUQU-LLVKDONJSA-N 1 2 343.254 3.357 20 30 EGEDLO OCc1ccc(F)c(C[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c1 ZINC000625210806 460071886 /nfs/dbraw/zinc/07/18/86/460071886.db2.gz XICXEEKPQNUKDG-QWRGUYRKSA-N 1 2 345.258 3.491 20 30 EGEDLO Cc1cccc2c1ncc(C#N)c2NCCc1cn2ccccc2[nH+]1 ZINC000610211295 460083059 /nfs/dbraw/zinc/08/30/59/460083059.db2.gz LHZORHQGUNEDOH-UHFFFAOYSA-N 1 2 327.391 3.139 20 30 EGEDLO N#CCC1(C[NH+]2CCN(c3ncc(Cl)cc3Cl)CC2)CC1 ZINC000602763141 460112564 /nfs/dbraw/zinc/11/25/64/460112564.db2.gz BGYLIAVAPRAGCU-UHFFFAOYSA-N 1 2 325.243 3.204 20 30 EGEDLO C[C@H](CC#N)[NH2+]CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000602865581 460165366 /nfs/dbraw/zinc/16/53/66/460165366.db2.gz WQUWQHOLUAHMEZ-OAHLLOKOSA-N 1 2 331.435 3.379 20 30 EGEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000602867014 460165536 /nfs/dbraw/zinc/16/55/36/460165536.db2.gz BAOPGOWBGHPQOR-HZPDHXFCSA-N 1 2 337.423 3.484 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000602927505 460189598 /nfs/dbraw/zinc/18/95/98/460189598.db2.gz TUVFJQMUXISNNF-GDBMZVCRSA-N 1 2 329.444 3.394 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000602927505 460189602 /nfs/dbraw/zinc/18/96/02/460189602.db2.gz TUVFJQMUXISNNF-GDBMZVCRSA-N 1 2 329.444 3.394 20 30 EGEDLO C[C@H]1C[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)C1(F)F ZINC000599512820 460265104 /nfs/dbraw/zinc/26/51/04/460265104.db2.gz NROCPMWYNKCEQL-QWRGUYRKSA-N 1 2 341.789 3.373 20 30 EGEDLO COCCOCc1cc(C#N)ccc1NCCc1cc[nH+]cc1C ZINC000603328701 460285689 /nfs/dbraw/zinc/28/56/89/460285689.db2.gz VBPQMDRHHLBTEN-UHFFFAOYSA-N 1 2 325.412 3.079 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c(C#N)c1C ZINC000611177033 460301487 /nfs/dbraw/zinc/30/14/87/460301487.db2.gz BDEIGKAFIVSLOB-SNVBAGLBSA-N 1 2 331.363 3.059 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C2)c(C#N)c1C ZINC000611177033 460301492 /nfs/dbraw/zinc/30/14/92/460301492.db2.gz BDEIGKAFIVSLOB-SNVBAGLBSA-N 1 2 331.363 3.059 20 30 EGEDLO N#Cc1cc2c(nc1NCc1ccc(Cn3cc[nH+]c3)cc1)CCC2 ZINC000603864821 460350914 /nfs/dbraw/zinc/35/09/14/460350914.db2.gz YEUVBLHOYCCFLB-UHFFFAOYSA-N 1 2 329.407 3.299 20 30 EGEDLO N#CCCn1cc(C[N@H+]2Cc3ccc(O)cc3C2)c(-c2ccncc2)n1 ZINC000600185879 460427815 /nfs/dbraw/zinc/42/78/15/460427815.db2.gz SRJINGYZXAVPMC-UHFFFAOYSA-N 1 2 345.406 3.080 20 30 EGEDLO N#CCCn1cc(C[N@@H+]2Cc3ccc(O)cc3C2)c(-c2ccncc2)n1 ZINC000600185879 460427818 /nfs/dbraw/zinc/42/78/18/460427818.db2.gz SRJINGYZXAVPMC-UHFFFAOYSA-N 1 2 345.406 3.080 20 30 EGEDLO CC[N@H+](CCCNC(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 ZINC000612097097 460537980 /nfs/dbraw/zinc/53/79/80/460537980.db2.gz DUWIUVKLZILUEZ-IBGZPJMESA-N 1 2 328.460 3.238 20 30 EGEDLO CC[N@@H+](CCCNC(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 ZINC000612097097 460537987 /nfs/dbraw/zinc/53/79/87/460537987.db2.gz DUWIUVKLZILUEZ-IBGZPJMESA-N 1 2 328.460 3.238 20 30 EGEDLO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)CC1=CCSC1 ZINC000662269329 461156056 /nfs/dbraw/zinc/15/60/56/461156056.db2.gz BVRBFEBGYRVQAD-UHFFFAOYSA-N 1 2 339.464 3.343 20 30 EGEDLO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)CC1=CCSC1 ZINC000662269329 461156060 /nfs/dbraw/zinc/15/60/60/461156060.db2.gz BVRBFEBGYRVQAD-UHFFFAOYSA-N 1 2 339.464 3.343 20 30 EGEDLO C=CC[N@@H+]([C@@H](C)c1cc(C)c(OC)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000637963342 461156734 /nfs/dbraw/zinc/15/67/34/461156734.db2.gz XIUWOFBBRILNTO-HOTGVXAUSA-N 1 2 337.485 3.048 20 30 EGEDLO C=CC[N@H+]([C@@H](C)c1cc(C)c(OC)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000637963342 461156743 /nfs/dbraw/zinc/15/67/43/461156743.db2.gz XIUWOFBBRILNTO-HOTGVXAUSA-N 1 2 337.485 3.048 20 30 EGEDLO C=CCCC(C)(C)NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000665797877 461273706 /nfs/dbraw/zinc/27/37/06/461273706.db2.gz PSBQTFPJQSTZNI-UHFFFAOYSA-N 1 2 331.460 3.385 20 30 EGEDLO N#Cc1ccc(CC[N@H+]2CCOC[C@@H]2CC(=O)c2ccccc2)cc1 ZINC000660129505 461602233 /nfs/dbraw/zinc/60/22/33/461602233.db2.gz XNNSFEOLXJZTFE-FQEVSTJZSA-N 1 2 334.419 3.075 20 30 EGEDLO N#Cc1ccc(CC[N@@H+]2CCOC[C@@H]2CC(=O)c2ccccc2)cc1 ZINC000660129505 461602239 /nfs/dbraw/zinc/60/22/39/461602239.db2.gz XNNSFEOLXJZTFE-FQEVSTJZSA-N 1 2 334.419 3.075 20 30 EGEDLO C=CCCn1cc(C[NH2+]Cc2ccc(Br)c(F)c2)nn1 ZINC000657337446 462056864 /nfs/dbraw/zinc/05/68/64/462056864.db2.gz VEDUNTQAMTZQLK-UHFFFAOYSA-N 1 2 339.212 3.046 20 30 EGEDLO C=CC[N@H+](Cc1nc2sc3c(c2c(N)n1)CCCC3)[C@@H](C)COC ZINC000661244171 462168633 /nfs/dbraw/zinc/16/86/33/462168633.db2.gz QZEASRDAVJASHF-LBPRGKRZSA-N 1 2 346.500 3.175 20 30 EGEDLO C=CC[N@@H+](Cc1nc2sc3c(c2c(N)n1)CCCC3)[C@@H](C)COC ZINC000661244171 462168637 /nfs/dbraw/zinc/16/86/37/462168637.db2.gz QZEASRDAVJASHF-LBPRGKRZSA-N 1 2 346.500 3.175 20 30 EGEDLO C=C[C@H](CO)[NH2+]Cc1csc(N(C(C)=O)c2cccc(C)c2C)n1 ZINC000662165583 462533675 /nfs/dbraw/zinc/53/36/75/462533675.db2.gz JRRHRFGADCEFEK-OAHLLOKOSA-N 1 2 345.468 3.081 20 30 EGEDLO C[C@](C#N)(NC(=O)C[N@H+](Cc1ccco1)Cc1ccccc1)C1CC1 ZINC000042979150 525134385 /nfs/dbraw/zinc/13/43/85/525134385.db2.gz GMQHZTCWDUWQJL-HXUWFJFHSA-N 1 2 337.423 3.090 20 30 EGEDLO C[C@](C#N)(NC(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1)C1CC1 ZINC000042979150 525134394 /nfs/dbraw/zinc/13/43/94/525134394.db2.gz GMQHZTCWDUWQJL-HXUWFJFHSA-N 1 2 337.423 3.090 20 30 EGEDLO C[C@H](c1nnc(SCCCC#N)n1-c1ccc(F)cc1)[NH+](C)C ZINC000044865584 526190234 /nfs/dbraw/zinc/19/02/34/526190234.db2.gz HLDAHGIILBYJEQ-GFCCVEGCSA-N 1 2 333.436 3.425 20 30 EGEDLO CO[C@H]1C[C@@H](C(=O)Nc2sc(-c3ccccc3)nc2C)[N@H+](C)C1 ZINC000329019742 547489939 /nfs/dbraw/zinc/48/99/39/547489939.db2.gz HLZCCHLWNZNZBJ-KBPBESRZSA-N 1 2 331.441 3.426 20 30 EGEDLO CO[C@H]1C[C@@H](C(=O)Nc2sc(-c3ccccc3)nc2C)[N@@H+](C)C1 ZINC000329019742 547489946 /nfs/dbraw/zinc/48/99/46/547489946.db2.gz HLZCCHLWNZNZBJ-KBPBESRZSA-N 1 2 331.441 3.426 20 30 EGEDLO Cc1sccc1CC(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329129283 547490754 /nfs/dbraw/zinc/49/07/54/547490754.db2.gz NSCMXOPPHOXHBB-INIZCTEOSA-N 1 2 333.457 3.457 20 30 EGEDLO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CCn2cc[nH+]c2C1 ZINC000329824300 547508710 /nfs/dbraw/zinc/50/87/10/547508710.db2.gz HUPZKDAIKRNBKY-AWEZNQCLSA-N 1 2 328.416 3.228 20 30 EGEDLO Cc1c[nH]c(-c2ccccc2NC(=O)Cc2ccc(OCC#N)cc2)[nH+]1 ZINC000371249084 547797366 /nfs/dbraw/zinc/79/73/66/547797366.db2.gz YSACPNOAYAELLS-UHFFFAOYSA-N 1 2 346.390 3.469 20 30 EGEDLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000684417599 550327685 /nfs/dbraw/zinc/32/76/85/550327685.db2.gz ZXJQCAASRISBBJ-UHFFFAOYSA-N 1 2 329.403 3.092 20 30 EGEDLO C#CC[NH+]1CCN(C(=O)C(CC)(CC)c2ccc(Cl)cc2)CC1 ZINC000726802213 574572554 /nfs/dbraw/zinc/57/25/54/574572554.db2.gz WXIZJTDMLQSHOV-UHFFFAOYSA-N 1 2 332.875 3.175 20 30 EGEDLO Fc1ccc(CN[NH+]=Cc2ccc(N3CCOCC3)c(F)c2)cc1F ZINC000727256123 574656020 /nfs/dbraw/zinc/65/60/20/574656020.db2.gz VZJAQCVRIOVIKS-UHFFFAOYSA-N 1 2 349.356 3.064 20 30 EGEDLO Cc1ccc2[nH+]c(COC(=O)CSc3ccc(C#N)cc3)cn2c1 ZINC000728676268 574766360 /nfs/dbraw/zinc/76/63/60/574766360.db2.gz LLQPFCQIMHGFBZ-UHFFFAOYSA-N 1 2 337.404 3.350 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)c(Cc2ccccc2)c1 ZINC000730096462 574919632 /nfs/dbraw/zinc/91/96/32/574919632.db2.gz RVMDDMCRWBJCOB-FQEVSTJZSA-N 1 2 348.446 3.322 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)c(Cc2ccccc2)c1 ZINC000730096462 574919634 /nfs/dbraw/zinc/91/96/34/574919634.db2.gz RVMDDMCRWBJCOB-FQEVSTJZSA-N 1 2 348.446 3.322 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000732066363 575234901 /nfs/dbraw/zinc/23/49/01/575234901.db2.gz OLWCSYRSIGXIMA-KRWDZBQOSA-N 1 2 326.415 3.082 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000732066363 575234902 /nfs/dbraw/zinc/23/49/02/575234902.db2.gz OLWCSYRSIGXIMA-KRWDZBQOSA-N 1 2 326.415 3.082 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2nc(C)cs2)cc1 ZINC000732065702 575235026 /nfs/dbraw/zinc/23/50/26/575235026.db2.gz WFCUJWBROFRECM-INIZCTEOSA-N 1 2 325.437 3.155 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2nc(C)cs2)cc1 ZINC000732065702 575235029 /nfs/dbraw/zinc/23/50/29/575235029.db2.gz WFCUJWBROFRECM-INIZCTEOSA-N 1 2 325.437 3.155 20 30 EGEDLO Brc1ccc(NN=Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000732712902 575283988 /nfs/dbraw/zinc/28/39/88/575283988.db2.gz KHGVPTPZJMINDX-UHFFFAOYSA-N 1 2 342.200 3.476 20 30 EGEDLO C#CC(C)(C)NC(=O)c1cccc(OCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000733885837 575407169 /nfs/dbraw/zinc/40/71/69/575407169.db2.gz XIESNSCUPOUZDO-UHFFFAOYSA-N 1 2 347.418 3.363 20 30 EGEDLO Cc1cccc2c1CC[N@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)C2 ZINC000743847079 576816829 /nfs/dbraw/zinc/81/68/29/576816829.db2.gz WXIYWXVXTPPKRP-UHFFFAOYSA-N 1 2 330.391 3.475 20 30 EGEDLO Cc1cccc2c1CC[N@@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)C2 ZINC000743847079 576816830 /nfs/dbraw/zinc/81/68/30/576816830.db2.gz WXIYWXVXTPPKRP-UHFFFAOYSA-N 1 2 330.391 3.475 20 30 EGEDLO C#CC[N@@H+](CC(=O)Nc1ccccc1OCC)Cc1ccc(F)cc1 ZINC000744211270 576823131 /nfs/dbraw/zinc/82/31/31/576823131.db2.gz IXPSBUSNJZDUTH-UHFFFAOYSA-N 1 2 340.398 3.298 20 30 EGEDLO C#CC[N@H+](CC(=O)Nc1ccccc1OCC)Cc1ccc(F)cc1 ZINC000744211270 576823132 /nfs/dbraw/zinc/82/31/32/576823132.db2.gz IXPSBUSNJZDUTH-UHFFFAOYSA-N 1 2 340.398 3.298 20 30 EGEDLO CC(C)(C)c1ccc(NC(=O)CO[NH+]=C(N)c2ccc(F)cc2)cc1 ZINC000029464274 1291330404 /nfs/dbraw/zinc/33/04/04/1291330404.db2.gz JJGKSPGWPVKHKY-UHFFFAOYSA-N 1 2 343.402 3.399 20 30 EGEDLO N#CCSc1cccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000079440122 1292560290 /nfs/dbraw/zinc/56/02/90/1292560290.db2.gz ASBFSFDMFBNUBP-UHFFFAOYSA-N 1 2 348.431 3.418 20 30 EGEDLO C[C@@H](N1CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1)C(F)(F)F ZINC000093882918 1292936133 /nfs/dbraw/zinc/93/61/33/1292936133.db2.gz SFLXAWVDOWSDEN-UONOGXRCSA-N 1 2 341.377 3.046 20 30 EGEDLO C[C@H](N[NH+]=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000834996830 1293183852 /nfs/dbraw/zinc/18/38/52/1293183852.db2.gz WQMRPQNBKLXULF-NSHDSACASA-N 1 2 344.337 3.459 20 30 EGEDLO C#CCOc1ccc(F)cc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000156594433 1294150120 /nfs/dbraw/zinc/15/01/20/1294150120.db2.gz RMESGAIDSDILQF-UHFFFAOYSA-N 1 2 335.338 3.276 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+]2CC[C@H](C)[C@H]2C)c1=S ZINC000174963846 1294534188 /nfs/dbraw/zinc/53/41/88/1294534188.db2.gz ZQTITVRCELISPQ-UONOGXRCSA-N 1 2 329.473 3.350 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+]2CC[C@H](C)[C@H]2C)c1=S ZINC000174963846 1294534198 /nfs/dbraw/zinc/53/41/98/1294534198.db2.gz ZQTITVRCELISPQ-UONOGXRCSA-N 1 2 329.473 3.350 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3cccc(OC)c3)CC2)CCC1 ZINC000870157583 1295708678 /nfs/dbraw/zinc/70/86/78/1295708678.db2.gz GZKZMDBWOVYETM-UHFFFAOYSA-N 1 2 328.456 3.086 20 30 EGEDLO O=C(C#Cc1ccc(C(F)(F)F)cc1)NCCCNc1cccc[nH+]1 ZINC000191913573 1295721179 /nfs/dbraw/zinc/72/11/79/1295721179.db2.gz IKOOULUESWWHRN-UHFFFAOYSA-N 1 2 347.340 3.070 20 30 EGEDLO COCC[NH+]1CCC(/N=C/c2cc(Cl)cc(Cl)c2O)CC1 ZINC000194924397 1296022468 /nfs/dbraw/zinc/02/24/68/1296022468.db2.gz PYKRKCTVZCCATB-VCHYOVAHSA-N 1 2 331.243 3.229 20 30 EGEDLO CCCCCCCS(=O)(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000195382966 1296062338 /nfs/dbraw/zinc/06/23/38/1296062338.db2.gz JFWDEWNMUDQSTG-JKSUJKDBSA-N 1 2 327.494 3.066 20 30 EGEDLO COCC[NH+]1CCC(/N=C\c2cc(Cl)cc(Cl)c2O)CC1 ZINC000255540240 1296542919 /nfs/dbraw/zinc/54/29/19/1296542919.db2.gz PYKRKCTVZCCATB-ZDLGFXPLSA-N 1 2 331.243 3.229 20 30 EGEDLO Cc1cc([N-][NH+]=Cc2c(Cl)cccc2N2CCCC2)nc(N)[nH+]1 ZINC000872420920 1296951782 /nfs/dbraw/zinc/95/17/82/1296951782.db2.gz RIYVTYQVXVUMRL-UHFFFAOYSA-N 1 2 330.823 3.067 20 30 EGEDLO C[C@@H]1CCc2nc([NH+]=C([O-])N3CCC(n4cc[nH+]c4)CC3)sc2C1 ZINC000328840954 1297259213 /nfs/dbraw/zinc/25/92/13/1297259213.db2.gz OLNCYJOOPATLJI-GFCCVEGCSA-N 1 2 345.472 3.347 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000397635242 1297703166 /nfs/dbraw/zinc/70/31/66/1297703166.db2.gz WUFLDXAARHCZOK-LLVKDONJSA-N 1 2 338.205 3.483 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000397635242 1297703174 /nfs/dbraw/zinc/70/31/74/1297703174.db2.gz WUFLDXAARHCZOK-LLVKDONJSA-N 1 2 338.205 3.483 20 30 EGEDLO C=c1[nH]c(=O)[nH]c(=O)c1=C(C)[NH2+]Nc1ccc(C(F)(F)F)cc1 ZINC000746576925 1298617602 /nfs/dbraw/zinc/61/76/02/1298617602.db2.gz RMHHRAZFNZGFTG-UHFFFAOYSA-N 1 2 326.278 3.051 20 30 EGEDLO C[C@@H](c1cccc(NC(=O)C#Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000747381862 1298772714 /nfs/dbraw/zinc/77/27/14/1298772714.db2.gz WUJROACXVJPERQ-KRWDZBQOSA-N 1 2 334.419 3.070 20 30 EGEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@H](c3ccc(OC)cc3)C2)c1=S ZINC000749888908 1299294119 /nfs/dbraw/zinc/29/41/19/1299294119.db2.gz ZAHRBCCXUQFLQT-INIZCTEOSA-N 1 2 344.484 3.364 20 30 EGEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@H](c3ccc(OC)cc3)C2)c1=S ZINC000749888908 1299294131 /nfs/dbraw/zinc/29/41/31/1299294131.db2.gz ZAHRBCCXUQFLQT-INIZCTEOSA-N 1 2 344.484 3.364 20 30 EGEDLO Cc1ccc(C2N=NC(=S)N2N=C2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000753956158 1300051815 /nfs/dbraw/zinc/05/18/15/1300051815.db2.gz VAIKYYCHVLKADP-GFCCVEGCSA-N 1 2 327.457 3.003 20 30 EGEDLO Cc1ccc(C2N=NC(=S)N2N=C2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000753956158 1300051827 /nfs/dbraw/zinc/05/18/27/1300051827.db2.gz VAIKYYCHVLKADP-GFCCVEGCSA-N 1 2 327.457 3.003 20 30 EGEDLO C#C[C@@H](NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C(C)(C)C ZINC000878626711 1300115429 /nfs/dbraw/zinc/11/54/29/1300115429.db2.gz GPEDVSWDQAYMJZ-MAUKXSAKSA-N 1 2 343.471 3.249 20 30 EGEDLO CC(=O)[C@@](C#N)(CC[N@H+]1C[C@H](C)OC2(CCC2)C1)c1ccccc1 ZINC000878770857 1300183376 /nfs/dbraw/zinc/18/33/76/1300183376.db2.gz WJQGWCYNSFLFDC-JXFKEZNVSA-N 1 2 326.440 3.070 20 30 EGEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1C[C@H](C)OC2(CCC2)C1)c1ccccc1 ZINC000878770857 1300183380 /nfs/dbraw/zinc/18/33/80/1300183380.db2.gz WJQGWCYNSFLFDC-JXFKEZNVSA-N 1 2 326.440 3.070 20 30 EGEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(C(=O)OC)c(F)c1 ZINC000756808029 1300569429 /nfs/dbraw/zinc/56/94/29/1300569429.db2.gz DCTVHQKVJDDLBS-UHFFFAOYSA-N 1 2 329.346 3.387 20 30 EGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C(=O)OC)c(F)c1 ZINC000756808029 1300569435 /nfs/dbraw/zinc/56/94/35/1300569435.db2.gz DCTVHQKVJDDLBS-UHFFFAOYSA-N 1 2 329.346 3.387 20 30 EGEDLO C#Cc1ccc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)nc1 ZINC000757602931 1300693109 /nfs/dbraw/zinc/69/31/09/1300693109.db2.gz LXBYDPYRJIHOCK-UHFFFAOYSA-N 1 2 340.386 3.230 20 30 EGEDLO COc1cccc(NC(=S)N[NH+]=C(C)c2ccc(N)cc2C)c1 ZINC000758096724 1300784382 /nfs/dbraw/zinc/78/43/82/1300784382.db2.gz UJPUZKUBZWJBID-UHFFFAOYSA-N 1 2 328.441 3.296 20 30 EGEDLO Cc1ccccc1NC(=S)N[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000758360813 1300861978 /nfs/dbraw/zinc/86/19/78/1300861978.db2.gz HPFXHPOVYHJIFP-UHFFFAOYSA-N 1 2 339.468 3.311 20 30 EGEDLO Fc1cc2[nH]c([N-][NH+]=Cc3ccc(N4CCCC4)nc3)[nH+]c2cc1F ZINC000758372348 1300865675 /nfs/dbraw/zinc/86/56/75/1300865675.db2.gz MTEZVFJJDTVQHJ-UHFFFAOYSA-N 1 2 342.353 3.282 20 30 EGEDLO N#Cc1ccc(C2=CC[N@H+](CN3C(=O)[C@H]4CCCCC[C@H]43)CC2)cc1 ZINC000767987346 1302798145 /nfs/dbraw/zinc/79/81/45/1302798145.db2.gz PYOGLMWWMIZGDG-VQTJNVASSA-N 1 2 335.451 3.396 20 30 EGEDLO N#Cc1ccc(C2=CC[N@@H+](CN3C(=O)[C@H]4CCCCC[C@H]43)CC2)cc1 ZINC000767987346 1302798154 /nfs/dbraw/zinc/79/81/54/1302798154.db2.gz PYOGLMWWMIZGDG-VQTJNVASSA-N 1 2 335.451 3.396 20 30 EGEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@H]2CCC(C)(C)C2)CC1=O ZINC000768321445 1302879022 /nfs/dbraw/zinc/87/90/22/1302879022.db2.gz UUOQQQILTUNAAN-ZDUSSCGKSA-N 1 2 338.455 3.225 20 30 EGEDLO C=CCNc1ncc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000770107104 1303221920 /nfs/dbraw/zinc/22/19/20/1303221920.db2.gz HKAUEDSWCYSGMD-UHFFFAOYSA-N 1 2 340.408 3.284 20 30 EGEDLO C=CC[C@@H](NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccncc1 ZINC000770626674 1303295775 /nfs/dbraw/zinc/29/57/75/1303295775.db2.gz RFIODVYPBKZFQL-DLBZAZTESA-N 1 2 339.443 3.022 20 30 EGEDLO N#Cc1ccccc1COc1ccc(C(=O)OCCn2cc[nH+]c2)cc1 ZINC000771909993 1303458557 /nfs/dbraw/zinc/45/85/57/1303458557.db2.gz DTGYINCVRSURHJ-UHFFFAOYSA-N 1 2 347.374 3.191 20 30 EGEDLO CC[N@H+](C)[C@H](C(=O)OCc1cc(C#N)ccc1OC)c1ccccc1 ZINC000772275518 1303511974 /nfs/dbraw/zinc/51/19/74/1303511974.db2.gz KKIPDUHNJGIPBU-IBGZPJMESA-N 1 2 338.407 3.303 20 30 EGEDLO CC[N@@H+](C)[C@H](C(=O)OCc1cc(C#N)ccc1OC)c1ccccc1 ZINC000772275518 1303511981 /nfs/dbraw/zinc/51/19/81/1303511981.db2.gz KKIPDUHNJGIPBU-IBGZPJMESA-N 1 2 338.407 3.303 20 30 EGEDLO C=CCC1(O)CC[NH+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)CC1 ZINC000886768870 1303591406 /nfs/dbraw/zinc/59/14/06/1303591406.db2.gz KDHDGWQWFYWYTE-GFCCVEGCSA-N 1 2 347.484 3.478 20 30 EGEDLO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1=S ZINC000773268862 1303652902 /nfs/dbraw/zinc/65/29/02/1303652902.db2.gz XBGMWXGYKXCOQV-JKSUJKDBSA-N 1 2 336.505 3.005 20 30 EGEDLO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1=S ZINC000773268862 1303652909 /nfs/dbraw/zinc/65/29/09/1303652909.db2.gz XBGMWXGYKXCOQV-JKSUJKDBSA-N 1 2 336.505 3.005 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1csc(-c2cccc(OC)c2)n1)[C@@H]1CCCO1 ZINC000775789125 1304037974 /nfs/dbraw/zinc/03/79/74/1304037974.db2.gz AUMDIJPQBJYOQZ-SJORKVTESA-N 1 2 328.437 3.089 20 30 EGEDLO C[C@H]1CC[N@H+](Cc2ccccc2)CC1=NNc1cnnc(O)c1Cl ZINC000776186077 1304107987 /nfs/dbraw/zinc/10/79/87/1304107987.db2.gz QESMPHPABALSDC-LBPRGKRZSA-N 1 2 345.834 3.146 20 30 EGEDLO C[C@H]1CC[N@@H+](Cc2ccccc2)CC1=NNc1cnnc(O)c1Cl ZINC000776186077 1304107993 /nfs/dbraw/zinc/10/79/93/1304107993.db2.gz QESMPHPABALSDC-LBPRGKRZSA-N 1 2 345.834 3.146 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc(C(=O)OC)o1 ZINC000778169082 1304409050 /nfs/dbraw/zinc/40/90/50/1304409050.db2.gz MJMDYJIYJJFLNK-UHFFFAOYSA-N 1 2 333.771 3.021 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000779397396 1304566119 /nfs/dbraw/zinc/56/61/19/1304566119.db2.gz WBKZHZFAGMMSST-PBHICJAKSA-N 1 2 340.427 3.017 20 30 EGEDLO C#CCCCCCC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000779869948 1304617020 /nfs/dbraw/zinc/61/70/20/1304617020.db2.gz NTDNPDHDMKGRFX-UHFFFAOYSA-N 1 2 342.487 3.141 20 30 EGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000780670896 1304723771 /nfs/dbraw/zinc/72/37/71/1304723771.db2.gz RSPMNIDHMDACRN-GJZGRUSLSA-N 1 2 339.399 3.043 20 30 EGEDLO Cn1nc(C(F)(F)F)c(C[NH2+]Cc2cc(C#N)ccc2F)c1Cl ZINC000782155889 1304923034 /nfs/dbraw/zinc/92/30/34/1304923034.db2.gz XJCQHKBULBERMF-UHFFFAOYSA-N 1 2 346.715 3.393 20 30 EGEDLO Cn1nc(Br)cc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000787080129 1305687808 /nfs/dbraw/zinc/68/78/08/1305687808.db2.gz SSYVJXJKERMTDZ-UHFFFAOYSA-N 1 2 345.244 3.219 20 30 EGEDLO Cn1nc(Br)cc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000787080129 1305687816 /nfs/dbraw/zinc/68/78/16/1305687816.db2.gz SSYVJXJKERMTDZ-UHFFFAOYSA-N 1 2 345.244 3.219 20 30 EGEDLO N#Cc1cc(N2CCC(CCCn3cc[nH+]c3)CC2)c([N+](=O)[O-])s1 ZINC000893125347 1305721779 /nfs/dbraw/zinc/72/17/79/1305721779.db2.gz JKPVGQBITULUDR-UHFFFAOYSA-N 1 2 345.428 3.421 20 30 EGEDLO COCCN(C)c1ccc(C=[NH+]Nc2cc(F)c(F)c(F)c2)cn1 ZINC000790166868 1306270516 /nfs/dbraw/zinc/27/05/16/1306270516.db2.gz FGQKQNISILZUID-UHFFFAOYSA-N 1 2 338.333 3.028 20 30 EGEDLO Cn1cc[nH+]c1NN=Cc1cccc(OCc2ccccc2C#N)c1 ZINC000790300112 1306292682 /nfs/dbraw/zinc/29/26/82/1306292682.db2.gz RNYYXALHRWDBQB-UHFFFAOYSA-N 1 2 331.379 3.317 20 30 EGEDLO N#CCCn1cc(C[NH+]2CC(C(F)(F)F)C2)c(-c2ccccc2)n1 ZINC000894897422 1309119738 /nfs/dbraw/zinc/11/97/38/1309119738.db2.gz QUAOLOPWNUTHNJ-UHFFFAOYSA-N 1 2 334.345 3.458 20 30 EGEDLO C[N@H+](CC(=O)Nc1ccccc1Cl)Cc1ccc(C#N)c(F)c1 ZINC000792201312 1309142601 /nfs/dbraw/zinc/14/26/01/1309142601.db2.gz AYRPVBZYKTXTEE-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO C[N@@H+](CC(=O)Nc1ccccc1Cl)Cc1ccc(C#N)c(F)c1 ZINC000792201312 1309142607 /nfs/dbraw/zinc/14/26/07/1309142607.db2.gz AYRPVBZYKTXTEE-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO N#Cc1cc2c(nc1N1CCC(Nc3cccc[nH+]3)CC1)CCCC2 ZINC000895356570 1309298493 /nfs/dbraw/zinc/29/84/93/1309298493.db2.gz YRKAJAIYUGYFDC-UHFFFAOYSA-N 1 2 333.439 3.308 20 30 EGEDLO Cc1cc(Br)cn2c(CN=Nc3ncccc3F)c[nH+]c12 ZINC000794994092 1309645177 /nfs/dbraw/zinc/64/51/77/1309645177.db2.gz RYRVKGZIIDTLFJ-UHFFFAOYSA-N 1 2 348.179 3.385 20 30 EGEDLO C#CC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccccc1 ZINC000796637394 1310052165 /nfs/dbraw/zinc/05/21/65/1310052165.db2.gz CLWUPALTZORPEO-UHFFFAOYSA-N 1 2 331.419 3.069 20 30 EGEDLO C#CC[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccccc1 ZINC000796637394 1310052174 /nfs/dbraw/zinc/05/21/74/1310052174.db2.gz CLWUPALTZORPEO-UHFFFAOYSA-N 1 2 331.419 3.069 20 30 EGEDLO C#CC[N@@H+](CC(=O)N[C@H](C)c1ccccc1OC)Cc1ccccc1 ZINC000796641339 1310053264 /nfs/dbraw/zinc/05/32/64/1310053264.db2.gz PAGMEVLAJSYPCJ-QGZVFWFLSA-N 1 2 336.435 3.008 20 30 EGEDLO C#CC[N@H+](CC(=O)N[C@H](C)c1ccccc1OC)Cc1ccccc1 ZINC000796641339 1310053274 /nfs/dbraw/zinc/05/32/74/1310053274.db2.gz PAGMEVLAJSYPCJ-QGZVFWFLSA-N 1 2 336.435 3.008 20 30 EGEDLO Cc1cc(C)cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 ZINC000798273728 1310332845 /nfs/dbraw/zinc/33/28/45/1310332845.db2.gz JGTISBSTTXYYFN-DLBZAZTESA-N 1 2 329.444 3.152 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@H]3CCC4(CCCC4)O3)CCO2)c1 ZINC000801525832 1310954856 /nfs/dbraw/zinc/95/48/56/1310954856.db2.gz OYBMHLBDWADTJS-RTBURBONSA-N 1 2 326.440 3.423 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@H]3CCC4(CCCC4)O3)CCO2)c1 ZINC000801525832 1310954866 /nfs/dbraw/zinc/95/48/66/1310954866.db2.gz OYBMHLBDWADTJS-RTBURBONSA-N 1 2 326.440 3.423 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000929554876 1328633941 /nfs/dbraw/zinc/63/39/41/1328633941.db2.gz HGJDKOIWINRBCS-MRXNPFEDSA-N 1 2 330.476 3.159 20 30 EGEDLO Cc1ccc(C(=O)/C=C/C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000900137237 1317241355 /nfs/dbraw/zinc/24/13/55/1317241355.db2.gz YECJTGHVNYKWTD-IJDCCNJMSA-N 1 2 342.464 3.215 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(CC)c(CCC)s2)C1 ZINC000957372039 1317319636 /nfs/dbraw/zinc/31/96/36/1317319636.db2.gz DQPWYLMGMUKQSC-UHFFFAOYSA-N 1 2 332.513 3.433 20 30 EGEDLO C#CCN(C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000929769622 1328693818 /nfs/dbraw/zinc/69/38/18/1328693818.db2.gz RIPONQNIYMQOLF-CALCHBBNSA-N 1 2 343.471 3.171 20 30 EGEDLO C#CCN(C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000929769622 1328693823 /nfs/dbraw/zinc/69/38/23/1328693823.db2.gz RIPONQNIYMQOLF-CALCHBBNSA-N 1 2 343.471 3.171 20 30 EGEDLO CCn1c[nH+]cc1/C=C/C(=O)c1ccc(NC(=O)NC(C)C)cc1 ZINC000901457838 1317429337 /nfs/dbraw/zinc/42/93/37/1317429337.db2.gz RUBNVHIIFHXGIE-MDZDMXLPSA-N 1 2 326.400 3.329 20 30 EGEDLO CC(=[NH+]Nc1ccc([N+](=O)[O-])cc1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000807990021 1317607695 /nfs/dbraw/zinc/60/76/95/1317607695.db2.gz SPTXNVCEQFDPDE-UHFFFAOYSA-N 1 2 329.316 3.230 20 30 EGEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3OCC)CC2)cc1 ZINC000809545596 1317828487 /nfs/dbraw/zinc/82/84/87/1317828487.db2.gz FWTSUSGOKYZRRW-UHFFFAOYSA-N 1 2 348.446 3.025 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000908414161 1318341690 /nfs/dbraw/zinc/34/16/90/1318341690.db2.gz NNZUHXVXWKSUHX-GUYCJALGSA-N 1 2 345.830 3.123 20 30 EGEDLO Cc1ccc(C#N)cc1NC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000930020253 1328766501 /nfs/dbraw/zinc/76/65/01/1328766501.db2.gz SPFOAGMHXXLZGX-UHFFFAOYSA-N 1 2 335.411 3.370 20 30 EGEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC000960503810 1318612839 /nfs/dbraw/zinc/61/28/39/1318612839.db2.gz VGTXKQLUSAKUTO-KBPBESRZSA-N 1 2 348.516 3.023 20 30 EGEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC000960503810 1318612848 /nfs/dbraw/zinc/61/28/48/1318612848.db2.gz VGTXKQLUSAKUTO-KBPBESRZSA-N 1 2 348.516 3.023 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCN1C(=O)CC1CCC1 ZINC000960524730 1318639242 /nfs/dbraw/zinc/63/92/42/1318639242.db2.gz GYTRFTUFSAWLMT-LJQANCHMSA-N 1 2 343.446 3.310 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCN1C(=O)CC1CCC1 ZINC000960524730 1318639249 /nfs/dbraw/zinc/63/92/49/1318639249.db2.gz GYTRFTUFSAWLMT-LJQANCHMSA-N 1 2 343.446 3.310 20 30 EGEDLO CCc1ccc(C#CC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000814399303 1318734812 /nfs/dbraw/zinc/73/48/12/1318734812.db2.gz SWPYKXKVZGAUDK-UHFFFAOYSA-N 1 2 343.430 3.162 20 30 EGEDLO C[C@@H]1C(=NNc2cnnc(O)c2Cl)CCC[N@H+]1Cc1ccccc1 ZINC000814782201 1318814826 /nfs/dbraw/zinc/81/48/26/1318814826.db2.gz GUGKHVJIFSTIMN-GFCCVEGCSA-N 1 2 345.834 3.288 20 30 EGEDLO C[C@@H]1C(=NNc2cnnc(O)c2Cl)CCC[N@@H+]1Cc1ccccc1 ZINC000814782201 1318814831 /nfs/dbraw/zinc/81/48/31/1318814831.db2.gz GUGKHVJIFSTIMN-GFCCVEGCSA-N 1 2 345.834 3.288 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1csc(C)n1 ZINC000960826056 1318950541 /nfs/dbraw/zinc/95/05/41/1318950541.db2.gz IHJNUDKXJIWTAK-AEFFLSMTSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1csc(C)n1 ZINC000960826056 1318950542 /nfs/dbraw/zinc/95/05/42/1318950542.db2.gz IHJNUDKXJIWTAK-AEFFLSMTSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nc(C)oc1C ZINC000960825342 1318951137 /nfs/dbraw/zinc/95/11/37/1318951137.db2.gz HGOCIGRERMWNJO-VQIMIIECSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nc(C)oc1C ZINC000960825342 1318951145 /nfs/dbraw/zinc/95/11/45/1318951145.db2.gz HGOCIGRERMWNJO-VQIMIIECSA-N 1 2 333.476 3.317 20 30 EGEDLO C[C@@H]1CCCC[C@H]1NC(=S)NN=C1CCN(c2cccc[nH+]2)CC1 ZINC000915943760 1319568230 /nfs/dbraw/zinc/56/82/30/1319568230.db2.gz BGJMJSPKMYPSKJ-GDBMZVCRSA-N 1 2 345.516 3.081 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@H+](Cc3cscn3)C2)CC1 ZINC001023570267 1319686380 /nfs/dbraw/zinc/68/63/80/1319686380.db2.gz AIZPFBFAGCMCFK-OAHLLOKOSA-N 1 2 333.501 3.218 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+](Cc3cscn3)C2)CC1 ZINC001023570267 1319686390 /nfs/dbraw/zinc/68/63/90/1319686390.db2.gz AIZPFBFAGCMCFK-OAHLLOKOSA-N 1 2 333.501 3.218 20 30 EGEDLO CN1c2ccccc2C(C)(C)C1=CC=[NH+]Nc1[nH]cnc2ncnc1-2 ZINC000917554774 1319835594 /nfs/dbraw/zinc/83/55/94/1319835594.db2.gz KQDXZSVZDPXNBE-KTOWUPFMSA-N 1 2 333.399 3.062 20 30 EGEDLO C#CC[C@H]([NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1)C(=O)OC ZINC000839166789 1320883611 /nfs/dbraw/zinc/88/36/11/1320883611.db2.gz ANJUXCBROONTCH-SCCNAQOGSA-N 1 2 343.467 3.095 20 30 EGEDLO C=C(Cl)CN(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000839600844 1320943805 /nfs/dbraw/zinc/94/38/05/1320943805.db2.gz IGCQBDUTMRSEIK-UHFFFAOYSA-N 1 2 344.640 3.493 20 30 EGEDLO COC(=O)C[N@H+](CCCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC000919674290 1322092257 /nfs/dbraw/zinc/09/22/57/1322092257.db2.gz PRJWHODOSIARIR-UHFFFAOYSA-N 1 2 338.407 3.002 20 30 EGEDLO COC(=O)C[N@@H+](CCCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC000919674290 1322092261 /nfs/dbraw/zinc/09/22/61/1322092261.db2.gz PRJWHODOSIARIR-UHFFFAOYSA-N 1 2 338.407 3.002 20 30 EGEDLO C#C[C@](C)(CC)[NH2+]Cc1nc(Cc2cccc(Br)c2)no1 ZINC000852103005 1323147833 /nfs/dbraw/zinc/14/78/33/1323147833.db2.gz VVPAWZPGBLADFJ-MRXNPFEDSA-N 1 2 348.244 3.314 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1c(C)cc(C)nc1C ZINC001024564196 1323504984 /nfs/dbraw/zinc/50/49/84/1323504984.db2.gz FZWQHXPWYQUOKE-MRXNPFEDSA-N 1 2 335.879 3.344 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(C)cc(C)nc1C ZINC001024564196 1323504987 /nfs/dbraw/zinc/50/49/87/1323504987.db2.gz FZWQHXPWYQUOKE-MRXNPFEDSA-N 1 2 335.879 3.344 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cncc(F)c2)CC1 ZINC001024634032 1323559808 /nfs/dbraw/zinc/55/98/08/1323559808.db2.gz QLKGPMUKPPEDRH-LJQANCHMSA-N 1 2 345.462 3.438 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cncc(F)c2)CC1 ZINC001024634032 1323559815 /nfs/dbraw/zinc/55/98/15/1323559815.db2.gz QLKGPMUKPPEDRH-LJQANCHMSA-N 1 2 345.462 3.438 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(F)c(OC)c1 ZINC001024664671 1323579656 /nfs/dbraw/zinc/57/96/56/1323579656.db2.gz WDFFWGLLOUFDMR-AWEZNQCLSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(F)c(OC)c1 ZINC001024664671 1323579659 /nfs/dbraw/zinc/57/96/59/1323579659.db2.gz WDFFWGLLOUFDMR-AWEZNQCLSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2ccccc2O1 ZINC001024714620 1323623197 /nfs/dbraw/zinc/62/31/97/1323623197.db2.gz YWAGMRAIFDONCI-AEFFLSMTSA-N 1 2 348.874 3.103 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2ccccc2O1 ZINC001024714620 1323623203 /nfs/dbraw/zinc/62/32/03/1323623203.db2.gz YWAGMRAIFDONCI-AEFFLSMTSA-N 1 2 348.874 3.103 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1csc(C2CC2)n1 ZINC001024822176 1323726905 /nfs/dbraw/zinc/72/69/05/1323726905.db2.gz YUWJJPCNWJKLCJ-CYBMUJFWSA-N 1 2 339.892 3.357 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1csc(C2CC2)n1 ZINC001024822176 1323726913 /nfs/dbraw/zinc/72/69/13/1323726913.db2.gz YUWJJPCNWJKLCJ-CYBMUJFWSA-N 1 2 339.892 3.357 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001024830524 1323733609 /nfs/dbraw/zinc/73/36/09/1323733609.db2.gz SQQONVXWTDVCBS-IRXDYDNUSA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001024830524 1323733615 /nfs/dbraw/zinc/73/36/15/1323733615.db2.gz SQQONVXWTDVCBS-IRXDYDNUSA-N 1 2 348.874 3.022 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](CN2C[C@H](c3cccc(Cl)c3)CC2=O)C1 ZINC000853523463 1325114479 /nfs/dbraw/zinc/11/44/79/1325114479.db2.gz FATSCPFKXSFVPK-GOEBONIOSA-N 1 2 331.847 3.239 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](CN2C[C@H](c3cccc(Cl)c3)CC2=O)C1 ZINC000853523463 1325114485 /nfs/dbraw/zinc/11/44/85/1325114485.db2.gz FATSCPFKXSFVPK-GOEBONIOSA-N 1 2 331.847 3.239 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NCc1ccccc1CC(=O)OC ZINC000853720284 1325152009 /nfs/dbraw/zinc/15/20/09/1325152009.db2.gz WQQJWOLJAULUOV-UHFFFAOYSA-N 1 2 338.407 3.201 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC001027293799 1325427608 /nfs/dbraw/zinc/42/76/08/1325427608.db2.gz JXDLKXDNBMUEDE-GJZGRUSLSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC001027293799 1325427615 /nfs/dbraw/zinc/42/76/15/1325427615.db2.gz JXDLKXDNBMUEDE-GJZGRUSLSA-N 1 2 341.293 3.174 20 30 EGEDLO C[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C[C@@H]1NC(=O)CC1CC1 ZINC000964628115 1325586547 /nfs/dbraw/zinc/58/65/47/1325586547.db2.gz LTYBZCXTORUUJX-KXBFYZLASA-N 1 2 344.886 3.318 20 30 EGEDLO C[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C[C@@H]1NC(=O)CC1CC1 ZINC000964628115 1325586553 /nfs/dbraw/zinc/58/65/53/1325586553.db2.gz LTYBZCXTORUUJX-KXBFYZLASA-N 1 2 344.886 3.318 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]([N@@H+](C)Cc2ncc(CC)o2)C1 ZINC001027560077 1327875709 /nfs/dbraw/zinc/87/57/09/1327875709.db2.gz PJJIGXYEYLBPEU-KXBFYZLASA-N 1 2 333.476 3.262 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]([N@H+](C)Cc2ncc(CC)o2)C1 ZINC001027560077 1327875711 /nfs/dbraw/zinc/87/57/11/1327875711.db2.gz PJJIGXYEYLBPEU-KXBFYZLASA-N 1 2 333.476 3.262 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc3scnc32)C1 ZINC000966071890 1328169395 /nfs/dbraw/zinc/16/93/95/1328169395.db2.gz BOTQOKDDQBJSCT-FZMZJTMJSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc3scnc32)C1 ZINC000966071890 1328169399 /nfs/dbraw/zinc/16/93/99/1328169399.db2.gz BOTQOKDDQBJSCT-FZMZJTMJSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C(F)F)nc2)C1 ZINC000966566519 1328342911 /nfs/dbraw/zinc/34/29/11/1328342911.db2.gz PVNSUZOPVHFXNA-IINYFYTJSA-N 1 2 343.805 3.212 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C(F)F)nc2)C1 ZINC000966566519 1328342919 /nfs/dbraw/zinc/34/29/19/1328342919.db2.gz PVNSUZOPVHFXNA-IINYFYTJSA-N 1 2 343.805 3.212 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC001027881844 1328349771 /nfs/dbraw/zinc/34/97/71/1328349771.db2.gz BIPJSRRWKYGGHP-RBSFLKMASA-N 1 2 338.904 3.493 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC001027881844 1328349778 /nfs/dbraw/zinc/34/97/78/1328349778.db2.gz BIPJSRRWKYGGHP-RBSFLKMASA-N 1 2 338.904 3.493 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC000966722338 1328392306 /nfs/dbraw/zinc/39/23/06/1328392306.db2.gz LVXHSEVHWIGYFS-ZUZCIYMTSA-N 1 2 328.790 3.158 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC000966722338 1328392311 /nfs/dbraw/zinc/39/23/11/1328392311.db2.gz LVXHSEVHWIGYFS-ZUZCIYMTSA-N 1 2 328.790 3.158 20 30 EGEDLO CCc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2C#N)o1 ZINC001027973470 1328449586 /nfs/dbraw/zinc/44/95/86/1328449586.db2.gz RUKCRNJQIJHPLQ-QGZVFWFLSA-N 1 2 337.423 3.108 20 30 EGEDLO CCc1ccc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2C#N)o1 ZINC001027973470 1328449589 /nfs/dbraw/zinc/44/95/89/1328449589.db2.gz RUKCRNJQIJHPLQ-QGZVFWFLSA-N 1 2 337.423 3.108 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)c2cc(C)ccn2)C1 ZINC000966903364 1328464788 /nfs/dbraw/zinc/46/47/88/1328464788.db2.gz FQNBOECVELUGKD-GDBMZVCRSA-N 1 2 349.906 3.247 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)c2cc(C)ccn2)C1 ZINC000966903364 1328464791 /nfs/dbraw/zinc/46/47/91/1328464791.db2.gz FQNBOECVELUGKD-GDBMZVCRSA-N 1 2 349.906 3.247 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)c2cc(C)ccn2)C1 ZINC000966903366 1328465676 /nfs/dbraw/zinc/46/56/76/1328465676.db2.gz FQNBOECVELUGKD-HOCLYGCPSA-N 1 2 349.906 3.247 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)c2cc(C)ccn2)C1 ZINC000966903366 1328465680 /nfs/dbraw/zinc/46/56/80/1328465680.db2.gz FQNBOECVELUGKD-HOCLYGCPSA-N 1 2 349.906 3.247 20 30 EGEDLO C#CC[N@@H+](Cc1oc(-c2ccccc2)nc1C(=O)OCC)C(C)C ZINC000932388485 1329810840 /nfs/dbraw/zinc/81/08/40/1329810840.db2.gz LSHZTMSTYDDZPW-UHFFFAOYSA-N 1 2 326.396 3.362 20 30 EGEDLO C#CC[N@H+](Cc1oc(-c2ccccc2)nc1C(=O)OCC)C(C)C ZINC000932388485 1329810841 /nfs/dbraw/zinc/81/08/41/1329810841.db2.gz LSHZTMSTYDDZPW-UHFFFAOYSA-N 1 2 326.396 3.362 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C2(F)CCCC2)C[C@H]1C ZINC000947464888 1333138996 /nfs/dbraw/zinc/13/89/96/1333138996.db2.gz XWRWNQUAUAPCCH-CHWSQXEVSA-N 1 2 347.272 3.146 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C2(F)CCCC2)C[C@H]1C ZINC000947464888 1333139000 /nfs/dbraw/zinc/13/90/00/1333139000.db2.gz XWRWNQUAUAPCCH-CHWSQXEVSA-N 1 2 347.272 3.146 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ncc(C)cn3)[C@@H](C)C2)CC1 ZINC000947690301 1333225388 /nfs/dbraw/zinc/22/53/88/1333225388.db2.gz UPWLOHXONCZKAC-FUHWJXTLSA-N 1 2 342.487 3.001 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ncc(C)cn3)[C@@H](C)C2)CC1 ZINC000947690301 1333225391 /nfs/dbraw/zinc/22/53/91/1333225391.db2.gz UPWLOHXONCZKAC-FUHWJXTLSA-N 1 2 342.487 3.001 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)oc1C ZINC000948894482 1333722928 /nfs/dbraw/zinc/72/29/28/1333722928.db2.gz LOVIHWRTXMJWOF-FQEVSTJZSA-N 1 2 336.435 3.249 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)oc1C ZINC000948894482 1333722929 /nfs/dbraw/zinc/72/29/29/1333722929.db2.gz LOVIHWRTXMJWOF-FQEVSTJZSA-N 1 2 336.435 3.249 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1c(C)coc1C ZINC000948916583 1333733306 /nfs/dbraw/zinc/73/33/06/1333733306.db2.gz ZUHGYCDYQNAILV-IBGZPJMESA-N 1 2 336.435 3.249 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1c(C)coc1C ZINC000948916583 1333733310 /nfs/dbraw/zinc/73/33/10/1333733310.db2.gz ZUHGYCDYQNAILV-IBGZPJMESA-N 1 2 336.435 3.249 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1sc(C)nc1C ZINC000948982217 1333757940 /nfs/dbraw/zinc/75/79/40/1333757940.db2.gz IZHMUIRDEZLBGD-QGZVFWFLSA-N 1 2 341.480 3.275 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1sc(C)nc1C ZINC000948982217 1333757942 /nfs/dbraw/zinc/75/79/42/1333757942.db2.gz IZHMUIRDEZLBGD-QGZVFWFLSA-N 1 2 341.480 3.275 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cccc(C)c1C ZINC000948982226 1333757994 /nfs/dbraw/zinc/75/79/94/1333757994.db2.gz JBDHGNMKAQKTCJ-NRFANRHFSA-N 1 2 332.447 3.266 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cccc(C)c1C ZINC000948982226 1333757998 /nfs/dbraw/zinc/75/79/98/1333757998.db2.gz JBDHGNMKAQKTCJ-NRFANRHFSA-N 1 2 332.447 3.266 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC000949631755 1333886102 /nfs/dbraw/zinc/88/61/02/1333886102.db2.gz RFYHMJXOICYZOX-UHFFFAOYSA-N 1 2 330.472 3.250 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[NH+](CCOc2c(C)cccc2C)CC1 ZINC000949656282 1333890539 /nfs/dbraw/zinc/89/05/39/1333890539.db2.gz UACKEYIJSKAVOI-UHFFFAOYSA-N 1 2 330.472 3.039 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[NH+](CCc3ccccc3Cl)CC2)C1 ZINC000950385978 1334057359 /nfs/dbraw/zinc/05/73/59/1334057359.db2.gz PCCYRJFTDPIFCP-UHFFFAOYSA-N 1 2 332.875 3.383 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccnc2C(F)F)C1 ZINC000967290836 1335691750 /nfs/dbraw/zinc/69/17/50/1335691750.db2.gz DNXGHNAUQXSJQX-MFKMUULPSA-N 1 2 343.805 3.212 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccnc2C(F)F)C1 ZINC000967290836 1335691755 /nfs/dbraw/zinc/69/17/55/1335691755.db2.gz DNXGHNAUQXSJQX-MFKMUULPSA-N 1 2 343.805 3.212 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2cccc(Cl)c2)C1 ZINC000968159298 1335863818 /nfs/dbraw/zinc/86/38/18/1335863818.db2.gz ZQTJFROONUGJRQ-BLLLJJGKSA-N 1 2 341.282 3.462 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2cccc(Cl)c2)C1 ZINC000968159298 1335863819 /nfs/dbraw/zinc/86/38/19/1335863819.db2.gz ZQTJFROONUGJRQ-BLLLJJGKSA-N 1 2 341.282 3.462 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(Cl)nc3)CC[C@H]2C)C1 ZINC000968212907 1335872942 /nfs/dbraw/zinc/87/29/42/1335872942.db2.gz OBBKTTONYWCKFM-GDBMZVCRSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3ccc(Cl)nc3)CC[C@H]2C)C1 ZINC000968212907 1335872947 /nfs/dbraw/zinc/87/29/47/1335872947.db2.gz OBBKTTONYWCKFM-GDBMZVCRSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3cccnc3c2)C1 ZINC000968439901 1335929199 /nfs/dbraw/zinc/92/91/99/1335929199.db2.gz OLTKCDOMQOQQLO-UGSOOPFHSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3cccnc3c2)C1 ZINC000968439901 1335929201 /nfs/dbraw/zinc/92/92/01/1335929201.db2.gz OLTKCDOMQOQQLO-UGSOOPFHSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3ncsc3c2)C1 ZINC000968613225 1335983799 /nfs/dbraw/zinc/98/37/99/1335983799.db2.gz BLNNBPCGLHAGLI-IAQYHMDHSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3ncsc3c2)C1 ZINC000968613225 1335983803 /nfs/dbraw/zinc/98/38/03/1335983803.db2.gz BLNNBPCGLHAGLI-IAQYHMDHSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc3c2CCC3)C1 ZINC000968695258 1336014964 /nfs/dbraw/zinc/01/49/64/1336014964.db2.gz KWDLWIMPDZQJFK-ACJLOTCBSA-N 1 2 332.875 3.368 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc3c2CCC3)C1 ZINC000968695258 1336014966 /nfs/dbraw/zinc/01/49/66/1336014966.db2.gz KWDLWIMPDZQJFK-ACJLOTCBSA-N 1 2 332.875 3.368 20 30 EGEDLO Cc1ccsc1C(=O)N[C@H](C)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969213013 1336178292 /nfs/dbraw/zinc/17/82/92/1336178292.db2.gz MHFRNZRYFMICLB-CQSZACIVSA-N 1 2 339.464 3.179 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nnc(CC(C)C)o2)C1 ZINC000969564125 1336224567 /nfs/dbraw/zinc/22/45/67/1336224567.db2.gz MHKFXAPMROFLQB-LSDHHAIUSA-N 1 2 348.491 3.122 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(-c3ccccc3)on2)C1 ZINC000970096536 1336279965 /nfs/dbraw/zinc/27/99/65/1336279965.db2.gz RILCFCDKJFZSPY-ZDUSSCGKSA-N 1 2 345.830 3.144 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cccc(Cl)c2F)C1 ZINC000970363490 1336298316 /nfs/dbraw/zinc/29/83/16/1336298316.db2.gz MVICOOZQZFCCIZ-SNVBAGLBSA-N 1 2 331.218 3.282 20 30 EGEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1ccccc1 ZINC001006612707 1336539466 /nfs/dbraw/zinc/53/94/66/1336539466.db2.gz FISJTFQGIWGPRO-HXUWFJFHSA-N 1 2 336.410 3.072 20 30 EGEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)c1ccccc1 ZINC001006612707 1336539467 /nfs/dbraw/zinc/53/94/67/1336539467.db2.gz FISJTFQGIWGPRO-HXUWFJFHSA-N 1 2 336.410 3.072 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CC=CCC3)C2)c1 ZINC001006725564 1336564986 /nfs/dbraw/zinc/56/49/86/1336564986.db2.gz XQZRBUXZFABCIA-SJLPKXTDSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3CC=CCC3)C2)c1 ZINC001006725564 1336564988 /nfs/dbraw/zinc/56/49/88/1336564988.db2.gz XQZRBUXZFABCIA-SJLPKXTDSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001006749640 1336571157 /nfs/dbraw/zinc/57/11/57/1336571157.db2.gz IQZYRPSBNNEPPT-HNNXBMFYSA-N 1 2 343.814 3.199 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001006749640 1336571163 /nfs/dbraw/zinc/57/11/63/1336571163.db2.gz IQZYRPSBNNEPPT-HNNXBMFYSA-N 1 2 343.814 3.199 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1)C1CCC1 ZINC001007596003 1336673924 /nfs/dbraw/zinc/67/39/24/1336673924.db2.gz MXUJPGJJIIASKH-BEFAXECRSA-N 1 2 325.456 3.075 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1)C1CCC1 ZINC001007596003 1336673928 /nfs/dbraw/zinc/67/39/28/1336673928.db2.gz MXUJPGJJIIASKH-BEFAXECRSA-N 1 2 325.456 3.075 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)CC2CC(F)(F)C2)C1 ZINC001007688528 1336688352 /nfs/dbraw/zinc/68/83/52/1336688352.db2.gz ROTKSYIHNIIHEH-KRWDZBQOSA-N 1 2 347.409 3.074 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)CC2CC(F)(F)C2)C1 ZINC001007688528 1336688354 /nfs/dbraw/zinc/68/83/54/1336688354.db2.gz ROTKSYIHNIIHEH-KRWDZBQOSA-N 1 2 347.409 3.074 20 30 EGEDLO C[C@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)C=CCC1 ZINC001008231986 1336800148 /nfs/dbraw/zinc/80/01/48/1336800148.db2.gz QITLIPMJVVUYSA-XLIONFOSSA-N 1 2 341.430 3.134 20 30 EGEDLO C[C@]1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)C=CCC1 ZINC001008231986 1336800151 /nfs/dbraw/zinc/80/01/51/1336800151.db2.gz QITLIPMJVVUYSA-XLIONFOSSA-N 1 2 341.430 3.134 20 30 EGEDLO CCc1ccoc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001008435029 1336852913 /nfs/dbraw/zinc/85/29/13/1336852913.db2.gz WLEMUZQGEBPETC-CQSZACIVSA-N 1 2 343.452 3.170 20 30 EGEDLO CCc1ccoc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001008435029 1336852917 /nfs/dbraw/zinc/85/29/17/1336852917.db2.gz WLEMUZQGEBPETC-CQSZACIVSA-N 1 2 343.452 3.170 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)C1 ZINC001008465194 1336863121 /nfs/dbraw/zinc/86/31/21/1336863121.db2.gz PUIMQPSUQUWUSU-KRWDZBQOSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)C1 ZINC001008465194 1336863123 /nfs/dbraw/zinc/86/31/23/1336863123.db2.gz PUIMQPSUQUWUSU-KRWDZBQOSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C)c(OCC)c2)C1 ZINC001008739193 1336918628 /nfs/dbraw/zinc/91/86/28/1336918628.db2.gz UGQOSIWXFKNDMA-MRXNPFEDSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)c(OCC)c2)C1 ZINC001008739193 1336918631 /nfs/dbraw/zinc/91/86/31/1336918631.db2.gz UGQOSIWXFKNDMA-MRXNPFEDSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3cccc(OC)c32)C1 ZINC001008803029 1336928565 /nfs/dbraw/zinc/92/85/65/1336928565.db2.gz XLZOZUXMCSUSPS-CVEARBPZSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3cccc(OC)c32)C1 ZINC001008803029 1336928568 /nfs/dbraw/zinc/92/85/68/1336928568.db2.gz XLZOZUXMCSUSPS-CVEARBPZSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2OCCc3ccccc32)C1 ZINC001009262839 1336992666 /nfs/dbraw/zinc/99/26/66/1336992666.db2.gz JMBQACTZOQDFKM-WMZOPIPTSA-N 1 2 348.874 3.024 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2OCCc3ccccc32)C1 ZINC001009262839 1336992668 /nfs/dbraw/zinc/99/26/68/1336992668.db2.gz JMBQACTZOQDFKM-WMZOPIPTSA-N 1 2 348.874 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2ccc3c(c2)CCC3)C1 ZINC001009487008 1337030091 /nfs/dbraw/zinc/03/00/91/1337030091.db2.gz IFPCLFGAKACWDH-SFHVURJKSA-N 1 2 332.875 3.051 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2ccc3c(c2)CCC3)C1 ZINC001009487008 1337030094 /nfs/dbraw/zinc/03/00/94/1337030094.db2.gz IFPCLFGAKACWDH-SFHVURJKSA-N 1 2 332.875 3.051 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001009681086 1337059184 /nfs/dbraw/zinc/05/91/84/1337059184.db2.gz KHYOWANLBBEZTK-WFASDCNBSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001009681086 1337059185 /nfs/dbraw/zinc/05/91/85/1337059185.db2.gz KHYOWANLBBEZTK-WFASDCNBSA-N 1 2 339.266 3.313 20 30 EGEDLO C#Cc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2CNc2cc[nH+]c(C)n2)cc1 ZINC001063955603 1352109356 /nfs/dbraw/zinc/10/93/56/1352109356.db2.gz FFGQIKNKOCRPOB-KXBFYZLASA-N 1 2 348.450 3.119 20 30 EGEDLO C[C@@]1(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)CC=CCC1 ZINC001014551249 1337820759 /nfs/dbraw/zinc/82/07/59/1337820759.db2.gz QJMRRIGKWMJCNG-FXAWDEMLSA-N 1 2 341.430 3.134 20 30 EGEDLO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)CC=CCC1 ZINC001014551249 1337820764 /nfs/dbraw/zinc/82/07/64/1337820764.db2.gz QJMRRIGKWMJCNG-FXAWDEMLSA-N 1 2 341.430 3.134 20 30 EGEDLO Cc1scc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)c1C ZINC001014564694 1337826785 /nfs/dbraw/zinc/82/67/85/1337826785.db2.gz RBPBFRPQJCMJFA-GOSISDBHSA-N 1 2 338.476 3.221 20 30 EGEDLO Cc1scc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c1C ZINC001014564694 1337826786 /nfs/dbraw/zinc/82/67/86/1337826786.db2.gz RBPBFRPQJCMJFA-GOSISDBHSA-N 1 2 338.476 3.221 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2c(C)cccc2Cl)C1 ZINC001015096190 1338017015 /nfs/dbraw/zinc/01/70/15/1338017015.db2.gz HKJCCVYEZCCFRP-ZDUSSCGKSA-N 1 2 327.255 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2c(C)cccc2Cl)C1 ZINC001015096190 1338017018 /nfs/dbraw/zinc/01/70/18/1338017018.db2.gz HKJCCVYEZCCFRP-ZDUSSCGKSA-N 1 2 327.255 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3c(cc(C)cc3C)[nH]2)C1 ZINC001015414768 1338131270 /nfs/dbraw/zinc/13/12/70/1338131270.db2.gz NKKSFJFQJITFRC-AWEZNQCLSA-N 1 2 331.847 3.341 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3c(cc(C)cc3C)[nH]2)C1 ZINC001015414768 1338131272 /nfs/dbraw/zinc/13/12/72/1338131272.db2.gz NKKSFJFQJITFRC-AWEZNQCLSA-N 1 2 331.847 3.341 20 30 EGEDLO CC1(C(=O)N[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)CCCC1 ZINC001015437160 1338141870 /nfs/dbraw/zinc/14/18/70/1338141870.db2.gz XIBDUDFIQUNPOE-SFHVURJKSA-N 1 2 344.886 3.462 20 30 EGEDLO CC1(C(=O)N[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)CCCC1 ZINC001015437160 1338141871 /nfs/dbraw/zinc/14/18/71/1338141871.db2.gz XIBDUDFIQUNPOE-SFHVURJKSA-N 1 2 344.886 3.462 20 30 EGEDLO Cc1cocc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001015517182 1338165029 /nfs/dbraw/zinc/16/50/29/1338165029.db2.gz VWBKIGVQLNXHFH-QGZVFWFLSA-N 1 2 342.826 3.097 20 30 EGEDLO Cc1cocc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001015517182 1338165031 /nfs/dbraw/zinc/16/50/31/1338165031.db2.gz VWBKIGVQLNXHFH-QGZVFWFLSA-N 1 2 342.826 3.097 20 30 EGEDLO CC1(C)CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001015558724 1338180632 /nfs/dbraw/zinc/18/06/32/1338180632.db2.gz VLWORQGGXKNWDN-SJORKVTESA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001015558724 1338180634 /nfs/dbraw/zinc/18/06/34/1338180634.db2.gz VLWORQGGXKNWDN-SJORKVTESA-N 1 2 343.446 3.214 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001015612621 1338207672 /nfs/dbraw/zinc/20/76/72/1338207672.db2.gz ZJZYRWLKPJMGPR-KRWDZBQOSA-N 1 2 335.407 3.033 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001015612621 1338207673 /nfs/dbraw/zinc/20/76/73/1338207673.db2.gz ZJZYRWLKPJMGPR-KRWDZBQOSA-N 1 2 335.407 3.033 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(Cl)n3)C2)CC1 ZINC001015659873 1338238193 /nfs/dbraw/zinc/23/81/93/1338238193.db2.gz MDEPPBYSHYSYDH-MRXNPFEDSA-N 1 2 333.863 3.172 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(Cl)n3)C2)CC1 ZINC001015659873 1338238198 /nfs/dbraw/zinc/23/81/98/1338238198.db2.gz MDEPPBYSHYSYDH-MRXNPFEDSA-N 1 2 333.863 3.172 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3OC)C2)C1 ZINC001015676176 1338252400 /nfs/dbraw/zinc/25/24/00/1338252400.db2.gz INBLXZBYTUVRBB-MRXNPFEDSA-N 1 2 348.874 3.395 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3OC)C2)C1 ZINC001015676176 1338252409 /nfs/dbraw/zinc/25/24/09/1338252409.db2.gz INBLXZBYTUVRBB-MRXNPFEDSA-N 1 2 348.874 3.395 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2O[C@H](C)CC)C1 ZINC001015775115 1338305128 /nfs/dbraw/zinc/30/51/28/1338305128.db2.gz KUHTZSAEOMBWQA-HUUCEWRRSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2O[C@H](C)CC)C1 ZINC001015775115 1338305134 /nfs/dbraw/zinc/30/51/34/1338305134.db2.gz KUHTZSAEOMBWQA-HUUCEWRRSA-N 1 2 336.863 3.421 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2ccsc2Cl)C1 ZINC001015795898 1338315846 /nfs/dbraw/zinc/31/58/46/1338315846.db2.gz ZGDVAMSAYWXFJZ-AWEZNQCLSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2ccsc2Cl)C1 ZINC001015795898 1338315851 /nfs/dbraw/zinc/31/58/51/1338315851.db2.gz ZGDVAMSAYWXFJZ-AWEZNQCLSA-N 1 2 345.855 3.277 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)cs1 ZINC001015851958 1338333933 /nfs/dbraw/zinc/33/39/33/1338333933.db2.gz NRAHKFJOQSSREM-SFHVURJKSA-N 1 2 342.439 3.051 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)cs1 ZINC001015851958 1338333936 /nfs/dbraw/zinc/33/39/36/1338333936.db2.gz NRAHKFJOQSSREM-SFHVURJKSA-N 1 2 342.439 3.051 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C3(F)CCCCC3)C2)ccc1F ZINC001015943319 1338369193 /nfs/dbraw/zinc/36/91/93/1338369193.db2.gz IQFUJEOQXTWTCG-MRXNPFEDSA-N 1 2 347.409 3.060 20 30 EGEDLO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C3(F)CCCCC3)C2)ccc1F ZINC001015943319 1338369198 /nfs/dbraw/zinc/36/91/98/1338369198.db2.gz IQFUJEOQXTWTCG-MRXNPFEDSA-N 1 2 347.409 3.060 20 30 EGEDLO CCc1cc(C)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)o1 ZINC001015998645 1338400083 /nfs/dbraw/zinc/40/00/83/1338400083.db2.gz FHZNQRJMYCJZCP-KRWDZBQOSA-N 1 2 337.423 3.026 20 30 EGEDLO CCc1cc(C)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)o1 ZINC001015998645 1338400086 /nfs/dbraw/zinc/40/00/86/1338400086.db2.gz FHZNQRJMYCJZCP-KRWDZBQOSA-N 1 2 337.423 3.026 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC001016032974 1338417950 /nfs/dbraw/zinc/41/79/50/1338417950.db2.gz HAAONFLSVZSRQZ-QGPMSJSTSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC001016032974 1338417953 /nfs/dbraw/zinc/41/79/53/1338417953.db2.gz HAAONFLSVZSRQZ-QGPMSJSTSA-N 1 2 343.446 3.214 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001016047123 1338427101 /nfs/dbraw/zinc/42/71/01/1338427101.db2.gz PTGNQGLNYHDOOR-QHAWAJNXSA-N 1 2 345.446 3.052 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001016047123 1338427105 /nfs/dbraw/zinc/42/71/05/1338427105.db2.gz PTGNQGLNYHDOOR-QHAWAJNXSA-N 1 2 345.446 3.052 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001016068813 1338442231 /nfs/dbraw/zinc/44/22/31/1338442231.db2.gz WBQWVZNSAFSESK-GOSISDBHSA-N 1 2 339.826 3.216 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001016068813 1338442232 /nfs/dbraw/zinc/44/22/32/1338442232.db2.gz WBQWVZNSAFSESK-GOSISDBHSA-N 1 2 339.826 3.216 20 30 EGEDLO Cc1ccc(C)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001016096008 1338459620 /nfs/dbraw/zinc/45/96/20/1338459620.db2.gz JCDIEUXNCNNVQK-LJQANCHMSA-N 1 2 333.435 3.179 20 30 EGEDLO Cc1ccc(C)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001016096008 1338459623 /nfs/dbraw/zinc/45/96/23/1338459623.db2.gz JCDIEUXNCNNVQK-LJQANCHMSA-N 1 2 333.435 3.179 20 30 EGEDLO CCc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1 ZINC001016152552 1338479225 /nfs/dbraw/zinc/47/92/25/1338479225.db2.gz JRVCXZWFDVXBFJ-HXUWFJFHSA-N 1 2 333.435 3.125 20 30 EGEDLO CCc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cc1 ZINC001016152552 1338479226 /nfs/dbraw/zinc/47/92/26/1338479226.db2.gz JRVCXZWFDVXBFJ-HXUWFJFHSA-N 1 2 333.435 3.125 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001016304002 1338540172 /nfs/dbraw/zinc/54/01/72/1338540172.db2.gz BWLCVBNVDQPHAQ-YPMHNXCESA-N 1 2 328.790 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001016304002 1338540177 /nfs/dbraw/zinc/54/01/77/1338540177.db2.gz BWLCVBNVDQPHAQ-YPMHNXCESA-N 1 2 328.790 3.011 20 30 EGEDLO Cc1ccccc1[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001016322003 1338548276 /nfs/dbraw/zinc/54/82/76/1338548276.db2.gz WKLFEJSRJYUQAO-XLIONFOSSA-N 1 2 347.462 3.361 20 30 EGEDLO Cc1ccccc1[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001016322003 1338548279 /nfs/dbraw/zinc/54/82/79/1338548279.db2.gz WKLFEJSRJYUQAO-XLIONFOSSA-N 1 2 347.462 3.361 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2(C3CC3)CCC2)c1 ZINC001017775426 1339416815 /nfs/dbraw/zinc/41/68/15/1339416815.db2.gz UVQNSAZQXJZEHA-BGYRXZFFSA-N 1 2 349.478 3.314 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2(C3CC3)CCC2)c1 ZINC001017775426 1339416818 /nfs/dbraw/zinc/41/68/18/1339416818.db2.gz UVQNSAZQXJZEHA-BGYRXZFFSA-N 1 2 349.478 3.314 20 30 EGEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC001018254554 1339550846 /nfs/dbraw/zinc/55/08/46/1339550846.db2.gz UCKFANAAJROLRV-CWRNSKLLSA-N 1 2 330.497 3.348 20 30 EGEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC001018254554 1339550851 /nfs/dbraw/zinc/55/08/51/1339550851.db2.gz UCKFANAAJROLRV-CWRNSKLLSA-N 1 2 330.497 3.348 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)c1ccc(F)cc1 ZINC001018317816 1339574918 /nfs/dbraw/zinc/57/49/18/1339574918.db2.gz SIYWQHDTMIDYGF-CEXWTWQISA-N 1 2 328.431 3.018 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)c1ccc(F)cc1 ZINC001018317816 1339574919 /nfs/dbraw/zinc/57/49/19/1339574919.db2.gz SIYWQHDTMIDYGF-CEXWTWQISA-N 1 2 328.431 3.018 20 30 EGEDLO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(F)(F)F)s1 ZINC001018334412 1339581187 /nfs/dbraw/zinc/58/11/87/1339581187.db2.gz NTUNJDWVPIZFCP-TXEJJXNPSA-N 1 2 342.386 3.079 20 30 EGEDLO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(F)(F)F)s1 ZINC001018334412 1339581188 /nfs/dbraw/zinc/58/11/88/1339581188.db2.gz NTUNJDWVPIZFCP-TXEJJXNPSA-N 1 2 342.386 3.079 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc2cc(OC)ccc2[nH]1 ZINC001028110457 1340432544 /nfs/dbraw/zinc/43/25/44/1340432544.db2.gz SADDQGRTCUFVDX-AWEZNQCLSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc2cc(OC)ccc2[nH]1 ZINC001028110457 1340432545 /nfs/dbraw/zinc/43/25/45/1340432545.db2.gz SADDQGRTCUFVDX-AWEZNQCLSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C)c(F)c1F ZINC001028154784 1340454863 /nfs/dbraw/zinc/45/48/63/1340454863.db2.gz PDSKJVOLVIYYFN-LBPRGKRZSA-N 1 2 328.790 3.220 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C)c(F)c1F ZINC001028154784 1340454865 /nfs/dbraw/zinc/45/48/65/1340454865.db2.gz PDSKJVOLVIYYFN-LBPRGKRZSA-N 1 2 328.790 3.220 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC001028155206 1340455875 /nfs/dbraw/zinc/45/58/75/1340455875.db2.gz ZLGVQXXOLOBEFT-NSHDSACASA-N 1 2 332.753 3.051 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC001028155206 1340455878 /nfs/dbraw/zinc/45/58/78/1340455878.db2.gz ZLGVQXXOLOBEFT-NSHDSACASA-N 1 2 332.753 3.051 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccccc1 ZINC001028196609 1340479697 /nfs/dbraw/zinc/47/96/97/1340479697.db2.gz ORZXCSYBHNISLH-KURKYZTESA-N 1 2 348.874 3.097 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccccc1 ZINC001028196609 1340479698 /nfs/dbraw/zinc/47/96/98/1340479698.db2.gz ORZXCSYBHNISLH-KURKYZTESA-N 1 2 348.874 3.097 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C1CCC(C(F)F)CC1 ZINC001028292901 1340543207 /nfs/dbraw/zinc/54/32/07/1340543207.db2.gz AHHOLGNQMLWCKL-JXQTWKCFSA-N 1 2 334.838 3.391 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CCC(C(F)F)CC1 ZINC001028292901 1340543208 /nfs/dbraw/zinc/54/32/08/1340543208.db2.gz AHHOLGNQMLWCKL-JXQTWKCFSA-N 1 2 334.838 3.391 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1Cc2c1cccc2Cl ZINC001028342944 1340582737 /nfs/dbraw/zinc/58/27/37/1340582737.db2.gz IXMJWBARFNTUMN-DOMZBBRYSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1Cc2c1cccc2Cl ZINC001028342944 1340582741 /nfs/dbraw/zinc/58/27/41/1340582741.db2.gz IXMJWBARFNTUMN-DOMZBBRYSA-N 1 2 339.266 3.313 20 30 EGEDLO CC(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001029193479 1340952281 /nfs/dbraw/zinc/95/22/81/1340952281.db2.gz RQPQYZDNURCYLV-KDURUIRLSA-N 1 2 344.886 3.413 20 30 EGEDLO CC(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001029193479 1340952282 /nfs/dbraw/zinc/95/22/82/1340952282.db2.gz RQPQYZDNURCYLV-KDURUIRLSA-N 1 2 344.886 3.413 20 30 EGEDLO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N)C1CCC1 ZINC001029355501 1340976169 /nfs/dbraw/zinc/97/61/69/1340976169.db2.gz YVQIDEXCSKKESN-RYGJVYDSSA-N 1 2 337.467 3.170 20 30 EGEDLO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N)C1CCC1 ZINC001029355501 1340976171 /nfs/dbraw/zinc/97/61/71/1340976171.db2.gz YVQIDEXCSKKESN-RYGJVYDSSA-N 1 2 337.467 3.170 20 30 EGEDLO C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)C=CCC1 ZINC001029428895 1340988292 /nfs/dbraw/zinc/98/82/92/1340988292.db2.gz MVYJDGBWQULKHN-RZUBCFFCSA-N 1 2 334.463 3.070 20 30 EGEDLO C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)C=CCC1 ZINC001029428895 1340988293 /nfs/dbraw/zinc/98/82/93/1340988293.db2.gz MVYJDGBWQULKHN-RZUBCFFCSA-N 1 2 334.463 3.070 20 30 EGEDLO CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N)C1CC1 ZINC001029433056 1340989635 /nfs/dbraw/zinc/98/96/35/1340989635.db2.gz AOWKSNPFYZTSGX-KDURUIRLSA-N 1 2 337.467 3.170 20 30 EGEDLO CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N)C1CC1 ZINC001029433056 1340989636 /nfs/dbraw/zinc/98/96/36/1340989636.db2.gz AOWKSNPFYZTSGX-KDURUIRLSA-N 1 2 337.467 3.170 20 30 EGEDLO CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1)C1CC1 ZINC001029433123 1340989717 /nfs/dbraw/zinc/98/97/17/1340989717.db2.gz CDMQKPHJRCPXTP-GASCZTMLSA-N 1 2 343.496 3.231 20 30 EGEDLO CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1)C1CC1 ZINC001029433123 1340989718 /nfs/dbraw/zinc/98/97/18/1340989718.db2.gz CDMQKPHJRCPXTP-GASCZTMLSA-N 1 2 343.496 3.231 20 30 EGEDLO CC(C)[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001029499479 1341001355 /nfs/dbraw/zinc/00/13/55/1341001355.db2.gz JQBBTCGGERQXHK-JCGIZDLHSA-N 1 2 343.446 3.165 20 30 EGEDLO CC(C)[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001029499479 1341001356 /nfs/dbraw/zinc/00/13/56/1341001356.db2.gz JQBBTCGGERQXHK-JCGIZDLHSA-N 1 2 343.446 3.165 20 30 EGEDLO C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1)C1CC1 ZINC001029598627 1341019109 /nfs/dbraw/zinc/01/91/09/1341019109.db2.gz BCRGADVYEOLQBA-DZFGPLHGSA-N 1 2 336.479 3.150 20 30 EGEDLO C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1)C1CC1 ZINC001029598627 1341019110 /nfs/dbraw/zinc/01/91/10/1341019110.db2.gz BCRGADVYEOLQBA-DZFGPLHGSA-N 1 2 336.479 3.150 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccncc2Cl)CC[C@@H]1C ZINC001071845192 1354976098 /nfs/dbraw/zinc/97/60/98/1354976098.db2.gz YIJJBDDZXMCSMD-NWDGAFQWSA-N 1 2 328.243 3.070 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccncc2Cl)CC[C@@H]1C ZINC001071845192 1354976102 /nfs/dbraw/zinc/97/61/02/1354976102.db2.gz YIJJBDDZXMCSMD-NWDGAFQWSA-N 1 2 328.243 3.070 20 30 EGEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)c1ccsc1 ZINC001031536537 1341364751 /nfs/dbraw/zinc/36/47/51/1341364751.db2.gz WVJBHQMUXXARCU-UHFFFAOYSA-N 1 2 344.867 3.115 20 30 EGEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)C3=CCCCCC3)C2)ccc1F ZINC001031631614 1341378981 /nfs/dbraw/zinc/37/89/81/1341378981.db2.gz YYECYLFYZXRYFN-UHFFFAOYSA-N 1 2 341.430 3.136 20 30 EGEDLO Cc1cc(C)c(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)s1 ZINC001031700240 1341390486 /nfs/dbraw/zinc/39/04/86/1341390486.db2.gz PKQXZKVGUBHCFB-UHFFFAOYSA-N 1 2 339.464 3.098 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC001031745980 1341396086 /nfs/dbraw/zinc/39/60/86/1341396086.db2.gz YLNKHQHXLJDXMC-CHWSQXEVSA-N 1 2 338.801 3.156 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCc3c2cccc3Cl)C1 ZINC001031850842 1341411696 /nfs/dbraw/zinc/41/16/96/1341411696.db2.gz SXOHKAASVAODJU-HNNXBMFYSA-N 1 2 339.266 3.170 20 30 EGEDLO CC1(C)CCC[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031906708 1341419446 /nfs/dbraw/zinc/41/94/46/1341419446.db2.gz RLZHXAHMBVBQMN-LJQANCHMSA-N 1 2 342.458 3.052 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc(F)c3ccccc23)C1 ZINC001031997178 1341436679 /nfs/dbraw/zinc/43/66/79/1341436679.db2.gz HMZLPGMNYFFXQH-UHFFFAOYSA-N 1 2 332.806 3.393 20 30 EGEDLO C=Cc1ccc(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)cc1 ZINC001031999373 1341437350 /nfs/dbraw/zinc/43/73/50/1341437350.db2.gz QDRLEXWSDMLMAY-UHFFFAOYSA-N 1 2 349.409 3.202 20 30 EGEDLO CC[C@@]1(C)C[C@@H]1C(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001032092736 1341453882 /nfs/dbraw/zinc/45/38/82/1341453882.db2.gz ZLEKRBATHYKTNY-QUCCMNQESA-N 1 2 344.886 3.176 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc3nc(C)sc3c2)C1 ZINC001032101500 1341455980 /nfs/dbraw/zinc/45/59/80/1341455980.db2.gz CQWDIGDZCXUZCF-UHFFFAOYSA-N 1 2 335.860 3.019 20 30 EGEDLO Cc1cc(C)cc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)c1 ZINC001032151376 1341464986 /nfs/dbraw/zinc/46/49/86/1341464986.db2.gz IAJTYWKLPDNRFF-UHFFFAOYSA-N 1 2 332.447 3.017 20 30 EGEDLO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1scnc1C1CCCC1 ZINC001032501538 1341524298 /nfs/dbraw/zinc/52/42/98/1341524298.db2.gz KHLZRXQFETVLDV-GJZGRUSLSA-N 1 2 331.485 3.276 20 30 EGEDLO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1scnc1C1CCCC1 ZINC001032501538 1341524300 /nfs/dbraw/zinc/52/43/00/1341524300.db2.gz KHLZRXQFETVLDV-GJZGRUSLSA-N 1 2 331.485 3.276 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C)nc1C ZINC001032558036 1341539570 /nfs/dbraw/zinc/53/95/70/1341539570.db2.gz CVVMSNOOKBJNEJ-ROUUACIJSA-N 1 2 327.472 3.086 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C)nc1C ZINC001032558036 1341539571 /nfs/dbraw/zinc/53/95/71/1341539571.db2.gz CVVMSNOOKBJNEJ-ROUUACIJSA-N 1 2 327.472 3.086 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032637856 1341566463 /nfs/dbraw/zinc/56/64/63/1341566463.db2.gz YMLYVMKNZGYRAK-FUMNGEBKSA-N 1 2 337.467 3.026 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032637856 1341566464 /nfs/dbraw/zinc/56/64/64/1341566464.db2.gz YMLYVMKNZGYRAK-FUMNGEBKSA-N 1 2 337.467 3.026 20 30 EGEDLO Cc1ccsc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001032867787 1341640609 /nfs/dbraw/zinc/64/06/09/1341640609.db2.gz VURQBAODJIQBBP-QGZVFWFLSA-N 1 2 339.464 3.275 20 30 EGEDLO Cc1ccsc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001032867787 1341640611 /nfs/dbraw/zinc/64/06/11/1341640611.db2.gz VURQBAODJIQBBP-QGZVFWFLSA-N 1 2 339.464 3.275 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)CC2CCCCC2)C1 ZINC001032888959 1341653003 /nfs/dbraw/zinc/65/30/03/1341653003.db2.gz AQQQXXHKBFDKCU-HNNXBMFYSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)CC2CCCCC2)C1 ZINC001032888959 1341653004 /nfs/dbraw/zinc/65/30/04/1341653004.db2.gz AQQQXXHKBFDKCU-HNNXBMFYSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2sccc2C)C1 ZINC001033072122 1341716103 /nfs/dbraw/zinc/71/61/03/1341716103.db2.gz KDEAQGXRGVLWLI-RRFJBIMHSA-N 1 2 338.904 3.445 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2sccc2C)C1 ZINC001033072122 1341716104 /nfs/dbraw/zinc/71/61/04/1341716104.db2.gz KDEAQGXRGVLWLI-RRFJBIMHSA-N 1 2 338.904 3.445 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ocnc2-c2ccccc2)C1 ZINC001033135664 1341737005 /nfs/dbraw/zinc/73/70/05/1341737005.db2.gz IWKPTFGITHXRMW-HNNXBMFYSA-N 1 2 345.830 3.240 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ocnc2-c2ccccc2)C1 ZINC001033135664 1341737006 /nfs/dbraw/zinc/73/70/06/1341737006.db2.gz IWKPTFGITHXRMW-HNNXBMFYSA-N 1 2 345.830 3.240 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2(C)CCC(F)(F)CC2)C1 ZINC001033207324 1341753119 /nfs/dbraw/zinc/75/31/19/1341753119.db2.gz KPYKKJWZQXHEJR-ZDUSSCGKSA-N 1 2 334.838 3.487 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2(C)CCC(F)(F)CC2)C1 ZINC001033207324 1341753117 /nfs/dbraw/zinc/75/31/17/1341753117.db2.gz KPYKKJWZQXHEJR-ZDUSSCGKSA-N 1 2 334.838 3.487 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2CCc3ccccc3CC2)C1 ZINC001033215330 1341755086 /nfs/dbraw/zinc/75/50/86/1341755086.db2.gz VEHCCYNWXLISPB-LJQANCHMSA-N 1 2 346.902 3.467 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CCc3ccccc3CC2)C1 ZINC001033215330 1341755089 /nfs/dbraw/zinc/75/50/89/1341755089.db2.gz VEHCCYNWXLISPB-LJQANCHMSA-N 1 2 346.902 3.467 20 30 EGEDLO CN(C(=O)C1(F)CCCC1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033215279 1341755113 /nfs/dbraw/zinc/75/51/13/1341755113.db2.gz UKMUEBZQDLQXKM-INIZCTEOSA-N 1 2 347.409 3.012 20 30 EGEDLO CN(C(=O)C1(F)CCCC1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033215279 1341755115 /nfs/dbraw/zinc/75/51/15/1341755115.db2.gz UKMUEBZQDLQXKM-INIZCTEOSA-N 1 2 347.409 3.012 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2(c3ccccc3)CCC2)C1 ZINC001033254118 1341759335 /nfs/dbraw/zinc/75/93/35/1341759335.db2.gz QNPRSCLSZSWTNG-KRWDZBQOSA-N 1 2 332.875 3.394 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2(c3ccccc3)CCC2)C1 ZINC001033254118 1341759336 /nfs/dbraw/zinc/75/93/36/1341759336.db2.gz QNPRSCLSZSWTNG-KRWDZBQOSA-N 1 2 332.875 3.394 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2c(F)cccc2F)C1 ZINC001033268722 1341764167 /nfs/dbraw/zinc/76/41/67/1341764167.db2.gz BMGGFJYUJHUHKC-STQMWFEESA-N 1 2 342.817 3.354 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2c(F)cccc2F)C1 ZINC001033268722 1341764168 /nfs/dbraw/zinc/76/41/68/1341764168.db2.gz BMGGFJYUJHUHKC-STQMWFEESA-N 1 2 342.817 3.354 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(F)c(F)c2F)C1 ZINC001033370271 1341799553 /nfs/dbraw/zinc/79/95/53/1341799553.db2.gz NTESHARWYKBHNE-SNVBAGLBSA-N 1 2 332.753 3.003 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(F)c(F)c2F)C1 ZINC001033370271 1341799555 /nfs/dbraw/zinc/79/95/55/1341799555.db2.gz NTESHARWYKBHNE-SNVBAGLBSA-N 1 2 332.753 3.003 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001033394508 1341811358 /nfs/dbraw/zinc/81/13/58/1341811358.db2.gz VZYCOVKDFJCUCZ-UONOGXRCSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001033394508 1341811359 /nfs/dbraw/zinc/81/13/59/1341811359.db2.gz VZYCOVKDFJCUCZ-UONOGXRCSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccnc(Cl)c3)C2)C1 ZINC001033398648 1341813479 /nfs/dbraw/zinc/81/34/79/1341813479.db2.gz JZOILYBKUMWFDK-OAHLLOKOSA-N 1 2 333.863 3.124 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccnc(Cl)c3)C2)C1 ZINC001033398648 1341813480 /nfs/dbraw/zinc/81/34/80/1341813480.db2.gz JZOILYBKUMWFDK-OAHLLOKOSA-N 1 2 333.863 3.124 20 30 EGEDLO CN(C(=O)[C@H]1CC12CC2)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033450962 1341829536 /nfs/dbraw/zinc/82/95/36/1341829536.db2.gz WLLMDIVLAZISAM-IAGOWNOFSA-N 1 2 342.870 3.024 20 30 EGEDLO CN(C(=O)[C@H]1CC12CC2)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033450962 1341829538 /nfs/dbraw/zinc/82/95/38/1341829538.db2.gz WLLMDIVLAZISAM-IAGOWNOFSA-N 1 2 342.870 3.024 20 30 EGEDLO CN(C(=O)[C@@H]1CC12CC2)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033450964 1341829563 /nfs/dbraw/zinc/82/95/63/1341829563.db2.gz WLLMDIVLAZISAM-SJORKVTESA-N 1 2 342.870 3.024 20 30 EGEDLO CN(C(=O)[C@@H]1CC12CC2)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033450964 1341829565 /nfs/dbraw/zinc/82/95/65/1341829565.db2.gz WLLMDIVLAZISAM-SJORKVTESA-N 1 2 342.870 3.024 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2ccc(Cl)s2)C1 ZINC001033485395 1341842851 /nfs/dbraw/zinc/84/28/51/1341842851.db2.gz ZPXQBNGQLGCFPH-NSHDSACASA-N 1 2 333.284 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc(Cl)s2)C1 ZINC001033485395 1341842852 /nfs/dbraw/zinc/84/28/52/1341842852.db2.gz ZPXQBNGQLGCFPH-NSHDSACASA-N 1 2 333.284 3.229 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC001033503642 1341850011 /nfs/dbraw/zinc/85/00/11/1341850011.db2.gz XPWVWOFQKXDESF-KSZLIROESA-N 1 2 348.874 3.049 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC001033503642 1341850013 /nfs/dbraw/zinc/85/00/13/1341850013.db2.gz XPWVWOFQKXDESF-KSZLIROESA-N 1 2 348.874 3.049 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCc3ccccc3C2)C1 ZINC001033616675 1341904163 /nfs/dbraw/zinc/90/41/63/1341904163.db2.gz JJLNQMMWFOGDRE-LPHOPBHVSA-N 1 2 346.902 3.467 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCc3ccccc3C2)C1 ZINC001033616675 1341904165 /nfs/dbraw/zinc/90/41/65/1341904165.db2.gz JJLNQMMWFOGDRE-LPHOPBHVSA-N 1 2 346.902 3.467 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(Cl)c3C)C[C@H]21 ZINC001074249597 1356143270 /nfs/dbraw/zinc/14/32/70/1356143270.db2.gz VQLLGVAOCASDOD-QZTJIDSGSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(Cl)c3C)C[C@H]21 ZINC001074249597 1356143273 /nfs/dbraw/zinc/14/32/73/1356143273.db2.gz VQLLGVAOCASDOD-QZTJIDSGSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001033678870 1341945561 /nfs/dbraw/zinc/94/55/61/1341945561.db2.gz IRPIPAMSJYHTSS-TZMCWYRMSA-N 1 2 342.817 3.354 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001033678870 1341945563 /nfs/dbraw/zinc/94/55/63/1341945563.db2.gz IRPIPAMSJYHTSS-TZMCWYRMSA-N 1 2 342.817 3.354 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccn3c2CCCC3)C1 ZINC001033860926 1342049431 /nfs/dbraw/zinc/04/94/31/1342049431.db2.gz SSORRXMDWZFNQF-OAHLLOKOSA-N 1 2 335.879 3.113 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccn3c2CCCC3)C1 ZINC001033860926 1342049434 /nfs/dbraw/zinc/04/94/34/1342049434.db2.gz SSORRXMDWZFNQF-OAHLLOKOSA-N 1 2 335.879 3.113 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](Cc3ccn(CC)n3)C2)CC1 ZINC001033949473 1342108946 /nfs/dbraw/zinc/10/89/46/1342108946.db2.gz IKKCKKBBJBNNGS-LJQANCHMSA-N 1 2 344.503 3.072 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](Cc3ccn(CC)n3)C2)CC1 ZINC001033949473 1342108947 /nfs/dbraw/zinc/10/89/47/1342108947.db2.gz IKKCKKBBJBNNGS-LJQANCHMSA-N 1 2 344.503 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001033956980 1342112954 /nfs/dbraw/zinc/11/29/54/1342112954.db2.gz IJFZNIHTJGIWTE-UONOGXRCSA-N 1 2 334.838 3.487 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001033956980 1342112957 /nfs/dbraw/zinc/11/29/57/1342112957.db2.gz IJFZNIHTJGIWTE-UONOGXRCSA-N 1 2 334.838 3.487 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3c(c2)C[C@H](C)O3)C1 ZINC001033991020 1342134057 /nfs/dbraw/zinc/13/40/57/1342134057.db2.gz DCVLZGWKDWDDSZ-YOEHRIQHSA-N 1 2 348.874 3.299 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3c(c2)C[C@H](C)O3)C1 ZINC001033991020 1342134060 /nfs/dbraw/zinc/13/40/60/1342134060.db2.gz DCVLZGWKDWDDSZ-YOEHRIQHSA-N 1 2 348.874 3.299 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc3nc(C)ccc3o2)C1 ZINC001034028391 1342167454 /nfs/dbraw/zinc/16/74/54/1342167454.db2.gz ZRJFZRGKJPYFHH-AWEZNQCLSA-N 1 2 347.846 3.425 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc3nc(C)ccc3o2)C1 ZINC001034028391 1342167457 /nfs/dbraw/zinc/16/74/57/1342167457.db2.gz ZRJFZRGKJPYFHH-AWEZNQCLSA-N 1 2 347.846 3.425 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001034099593 1342237318 /nfs/dbraw/zinc/23/73/18/1342237318.db2.gz DCILBBJTJSFJBR-CABCVRRESA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001034099593 1342237320 /nfs/dbraw/zinc/23/73/20/1342237320.db2.gz DCILBBJTJSFJBR-CABCVRRESA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4[nH]ccc4s3)[C@@H]2C1 ZINC001076504714 1356599501 /nfs/dbraw/zinc/59/95/01/1356599501.db2.gz NVRRGMARLFPXLW-WCQYABFASA-N 1 2 335.860 3.128 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4[nH]ccc4s3)[C@@H]2C1 ZINC001076504714 1356599503 /nfs/dbraw/zinc/59/95/03/1356599503.db2.gz NVRRGMARLFPXLW-WCQYABFASA-N 1 2 335.860 3.128 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2OCCc3ccccc32)C1 ZINC001034338964 1342412272 /nfs/dbraw/zinc/41/22/72/1342412272.db2.gz HNBVEZZYGQPEPE-AEFFLSMTSA-N 1 2 348.874 3.024 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2OCCc3ccccc32)C1 ZINC001034338964 1342412275 /nfs/dbraw/zinc/41/22/75/1342412275.db2.gz HNBVEZZYGQPEPE-AEFFLSMTSA-N 1 2 348.874 3.024 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@@H+]([C@@H](C)c3ncccn3)C2)CC1 ZINC001034383669 1342451936 /nfs/dbraw/zinc/45/19/36/1342451936.db2.gz ZDNGWTLMYLWTCT-FUHWJXTLSA-N 1 2 342.487 3.255 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@H+]([C@@H](C)c3ncccn3)C2)CC1 ZINC001034383669 1342451937 /nfs/dbraw/zinc/45/19/37/1342451937.db2.gz ZDNGWTLMYLWTCT-FUHWJXTLSA-N 1 2 342.487 3.255 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@H+](Cc3ncc(C4CC4)o3)C2)C1 ZINC001034390308 1342459802 /nfs/dbraw/zinc/45/98/02/1342459802.db2.gz YSWQAFVLEXQOCC-INIZCTEOSA-N 1 2 343.471 3.379 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@@H+](Cc3ncc(C4CC4)o3)C2)C1 ZINC001034390308 1342459805 /nfs/dbraw/zinc/45/98/05/1342459805.db2.gz YSWQAFVLEXQOCC-INIZCTEOSA-N 1 2 343.471 3.379 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC23CCC3)C1 ZINC001034420966 1342482217 /nfs/dbraw/zinc/48/22/17/1342482217.db2.gz DDQYAFBVNCEPNE-KBPBESRZSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC23CCC3)C1 ZINC001034420966 1342482219 /nfs/dbraw/zinc/48/22/19/1342482219.db2.gz DDQYAFBVNCEPNE-KBPBESRZSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3ccccc3O2)C1 ZINC001034446605 1342507188 /nfs/dbraw/zinc/50/71/88/1342507188.db2.gz UXXMAOJQKLFBJL-WMZOPIPTSA-N 1 2 348.874 3.103 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3ccccc3O2)C1 ZINC001034446605 1342507191 /nfs/dbraw/zinc/50/71/91/1342507191.db2.gz UXXMAOJQKLFBJL-WMZOPIPTSA-N 1 2 348.874 3.103 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H](OC)c1ccccc1)CC2 ZINC001035840683 1343223189 /nfs/dbraw/zinc/22/31/89/1343223189.db2.gz GCYDIIGUDGRFBG-QGZVFWFLSA-N 1 2 348.874 3.051 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccc(F)cc1F)CC2 ZINC001035848400 1343228571 /nfs/dbraw/zinc/22/85/71/1343228571.db2.gz YJDQVKSCFSADIM-UHFFFAOYSA-N 1 2 340.801 3.255 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)CC1 ZINC001038661933 1344527843 /nfs/dbraw/zinc/52/78/43/1344527843.db2.gz NDEKVQAAASODSC-HNNXBMFYSA-N 1 2 329.469 3.057 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)CC1 ZINC001038661933 1344527847 /nfs/dbraw/zinc/52/78/47/1344527847.db2.gz NDEKVQAAASODSC-HNNXBMFYSA-N 1 2 329.469 3.057 20 30 EGEDLO C=Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2CC#Cc2ccccc2)cc1 ZINC001038728978 1344555379 /nfs/dbraw/zinc/55/53/79/1344555379.db2.gz ANCAJCGPMOQRRO-OAQYLSRUSA-N 1 2 330.431 3.185 20 30 EGEDLO C=Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2CC#Cc2ccccc2)cc1 ZINC001038728978 1344555380 /nfs/dbraw/zinc/55/53/80/1344555380.db2.gz ANCAJCGPMOQRRO-OAQYLSRUSA-N 1 2 330.431 3.185 20 30 EGEDLO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)c(F)c1 ZINC001038744649 1344564232 /nfs/dbraw/zinc/56/42/32/1344564232.db2.gz YKGHQABNINMFRO-QGZVFWFLSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)c(F)c1 ZINC001038744649 1344564236 /nfs/dbraw/zinc/56/42/36/1344564236.db2.gz YKGHQABNINMFRO-QGZVFWFLSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)sc1C ZINC001039005182 1344711968 /nfs/dbraw/zinc/71/19/68/1344711968.db2.gz KMGPMYYPURMCPD-QGZVFWFLSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1cc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)sc1C ZINC001039005182 1344711969 /nfs/dbraw/zinc/71/19/69/1344711969.db2.gz KMGPMYYPURMCPD-QGZVFWFLSA-N 1 2 339.464 3.241 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccco1 ZINC001039324577 1345014238 /nfs/dbraw/zinc/01/42/38/1345014238.db2.gz YTOXCKWTTAIHBD-MSOLQXFVSA-N 1 2 335.407 3.030 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccco1 ZINC001039324577 1345014241 /nfs/dbraw/zinc/01/42/41/1345014241.db2.gz YTOXCKWTTAIHBD-MSOLQXFVSA-N 1 2 335.407 3.030 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCC(OC)CC1 ZINC001039426271 1345063305 /nfs/dbraw/zinc/06/33/05/1345063305.db2.gz ZKYBEWPVVOMCJZ-GMRIPVOYSA-N 1 2 340.895 3.009 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCC(OC)CC1 ZINC001039426271 1345063310 /nfs/dbraw/zinc/06/33/10/1345063310.db2.gz ZKYBEWPVVOMCJZ-GMRIPVOYSA-N 1 2 340.895 3.009 20 30 EGEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H](C)c1ccc(F)cc1 ZINC001039528341 1345131266 /nfs/dbraw/zinc/13/12/66/1345131266.db2.gz MRJWPMFROUHKBG-NONVJHHQSA-N 1 2 329.419 3.112 20 30 EGEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H](C)c1ccc(F)cc1 ZINC001039528341 1345131271 /nfs/dbraw/zinc/13/12/71/1345131271.db2.gz MRJWPMFROUHKBG-NONVJHHQSA-N 1 2 329.419 3.112 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1oc(C)nc1C ZINC001039822190 1345199771 /nfs/dbraw/zinc/19/97/71/1345199771.db2.gz CJQCNVDHZNAOOZ-CALCHBBNSA-N 1 2 345.487 3.459 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1oc(C)nc1C ZINC001039822190 1345199775 /nfs/dbraw/zinc/19/97/75/1345199775.db2.gz CJQCNVDHZNAOOZ-CALCHBBNSA-N 1 2 345.487 3.459 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ncccc1C ZINC001039827096 1345201235 /nfs/dbraw/zinc/20/12/35/1345201235.db2.gz KFRKANLTKNEVQJ-CALCHBBNSA-N 1 2 327.472 3.168 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ncccc1C ZINC001039827096 1345201238 /nfs/dbraw/zinc/20/12/38/1345201238.db2.gz KFRKANLTKNEVQJ-CALCHBBNSA-N 1 2 327.472 3.168 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CCCCC2)C1 ZINC001079391625 1357243410 /nfs/dbraw/zinc/24/34/10/1357243410.db2.gz IHIJCRAOOJBGFQ-IUODEOHRSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CCCCC2)C1 ZINC001079391625 1357243412 /nfs/dbraw/zinc/24/34/12/1357243412.db2.gz IHIJCRAOOJBGFQ-IUODEOHRSA-N 1 2 343.309 3.302 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1ccsc1 ZINC001079392131 1357243452 /nfs/dbraw/zinc/24/34/52/1357243452.db2.gz SOSASHMOYWEHMB-SJKOYZFVSA-N 1 2 343.427 3.009 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1ccsc1 ZINC001079392131 1357243454 /nfs/dbraw/zinc/24/34/54/1357243454.db2.gz SOSASHMOYWEHMB-SJKOYZFVSA-N 1 2 343.427 3.009 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+]([C@@H](CC)c2ccc(F)cc2)C1 ZINC001043922927 1346219871 /nfs/dbraw/zinc/21/98/71/1346219871.db2.gz JSMUFFLTOGAQKG-QYZOEREBSA-N 1 2 346.446 3.011 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[NH2+]Cc1nc(C2CCCC2)no1 ZINC001045151062 1346506716 /nfs/dbraw/zinc/50/67/16/1346506716.db2.gz BKDDAQBQHMCLRD-HNNXBMFYSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(C)C[NH+]1CCC(C)(NC(=O)c2n[nH]c3ccc(C)cc32)CC1 ZINC001045491113 1346607796 /nfs/dbraw/zinc/60/77/96/1346607796.db2.gz MSBFPNYBHIFNPL-UHFFFAOYSA-N 1 2 326.444 3.032 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3C#N)C2)o1 ZINC001046221872 1346897107 /nfs/dbraw/zinc/89/71/07/1346897107.db2.gz OQRPVESXQNDBKY-HXUWFJFHSA-N 1 2 337.423 3.163 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3C#N)C2)o1 ZINC001046221872 1346897110 /nfs/dbraw/zinc/89/71/10/1346897110.db2.gz OQRPVESXQNDBKY-HXUWFJFHSA-N 1 2 337.423 3.163 20 30 EGEDLO C[C@@]1(NC(=O)c2ccoc2Cl)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046272170 1346917841 /nfs/dbraw/zinc/91/78/41/1346917841.db2.gz BOFRAEGORGOUCF-GOSISDBHSA-N 1 2 343.814 3.199 20 30 EGEDLO C[C@@]1(NC(=O)c2ccoc2Cl)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046272170 1346917842 /nfs/dbraw/zinc/91/78/42/1346917842.db2.gz BOFRAEGORGOUCF-GOSISDBHSA-N 1 2 343.814 3.199 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(Cl)ccc2F)C1 ZINC001046466150 1346983972 /nfs/dbraw/zinc/98/39/72/1346983972.db2.gz CFHFDYNUMJQNRO-HNNXBMFYSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(Cl)ccc2F)C1 ZINC001046466150 1346983974 /nfs/dbraw/zinc/98/39/74/1346983974.db2.gz CFHFDYNUMJQNRO-HNNXBMFYSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(-c3ccco3)o2)C1 ZINC001046474225 1346987130 /nfs/dbraw/zinc/98/71/30/1346987130.db2.gz RXMDTYHBLUBMBP-QGZVFWFLSA-N 1 2 334.803 3.486 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(-c3ccco3)o2)C1 ZINC001046474225 1346987132 /nfs/dbraw/zinc/98/71/32/1346987132.db2.gz RXMDTYHBLUBMBP-QGZVFWFLSA-N 1 2 334.803 3.486 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3cccc(OC)c32)C1 ZINC001046687382 1347062065 /nfs/dbraw/zinc/06/20/65/1347062065.db2.gz XTKLNQQKXMSZFU-HNAYVOBHSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3cccc(OC)c32)C1 ZINC001046687382 1347062066 /nfs/dbraw/zinc/06/20/66/1347062066.db2.gz XTKLNQQKXMSZFU-HNAYVOBHSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001046754248 1347085070 /nfs/dbraw/zinc/08/50/70/1347085070.db2.gz OUMYWTDYZISRLR-DZGCQCFKSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001046754248 1347085073 /nfs/dbraw/zinc/08/50/73/1347085073.db2.gz OUMYWTDYZISRLR-DZGCQCFKSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cccc3oc(C)nc32)C1 ZINC001046867286 1347138941 /nfs/dbraw/zinc/13/89/41/1347138941.db2.gz YLKNRVKATRKCTB-QGZVFWFLSA-N 1 2 333.819 3.083 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cccc3oc(C)nc32)C1 ZINC001046867286 1347138942 /nfs/dbraw/zinc/13/89/42/1347138942.db2.gz YLKNRVKATRKCTB-QGZVFWFLSA-N 1 2 333.819 3.083 20 30 EGEDLO CC(C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)=C1CCC1 ZINC001079676431 1357345437 /nfs/dbraw/zinc/34/54/37/1357345437.db2.gz RHLGHNNMFFSTGJ-BFUOFWGJSA-N 1 2 341.430 3.134 20 30 EGEDLO CC(C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)=C1CCC1 ZINC001079676431 1357345442 /nfs/dbraw/zinc/34/54/42/1357345442.db2.gz RHLGHNNMFFSTGJ-BFUOFWGJSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1CC1 ZINC001049284793 1347769887 /nfs/dbraw/zinc/76/98/87/1347769887.db2.gz JCZKRIUECFUBEQ-RBUKOAKNSA-N 1 2 341.430 3.063 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1CC1 ZINC001049284793 1347769888 /nfs/dbraw/zinc/76/98/88/1347769888.db2.gz JCZKRIUECFUBEQ-RBUKOAKNSA-N 1 2 341.430 3.063 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC1(C)C ZINC001049416118 1347838495 /nfs/dbraw/zinc/83/84/95/1347838495.db2.gz QMYLOJMCCCTAIC-MCIONIFRSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC1(C)C ZINC001049416118 1347838499 /nfs/dbraw/zinc/83/84/99/1347838499.db2.gz QMYLOJMCCCTAIC-MCIONIFRSA-N 1 2 341.293 3.006 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ncc(CC)o1 ZINC001049637320 1347947237 /nfs/dbraw/zinc/94/72/37/1347947237.db2.gz XIIUFTFTXDZURH-CVEARBPZSA-N 1 2 331.460 3.015 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ncc(CC)o1 ZINC001049637320 1347947238 /nfs/dbraw/zinc/94/72/38/1347947238.db2.gz XIIUFTFTXDZURH-CVEARBPZSA-N 1 2 331.460 3.015 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(CC)CC1 ZINC001049705852 1347982825 /nfs/dbraw/zinc/98/28/25/1347982825.db2.gz WOMOONBXQOFNIF-KBPBESRZSA-N 1 2 341.293 3.151 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(CC)CC1 ZINC001049705852 1347982826 /nfs/dbraw/zinc/98/28/26/1347982826.db2.gz WOMOONBXQOFNIF-KBPBESRZSA-N 1 2 341.293 3.151 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3coc(C4CCC4)n3)[C@@H]2C1 ZINC001050180538 1348203331 /nfs/dbraw/zinc/20/33/31/1348203331.db2.gz KSTAZZUATFFVSK-GOEBONIOSA-N 1 2 349.862 3.231 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)c3coc(C4CCC4)n3)[C@@H]2C1 ZINC001050180538 1348203335 /nfs/dbraw/zinc/20/33/35/1348203335.db2.gz KSTAZZUATFFVSK-GOEBONIOSA-N 1 2 349.862 3.231 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)[C@@H]3CC3(C)C)cccc2C1 ZINC001051285740 1348418327 /nfs/dbraw/zinc/41/83/27/1348418327.db2.gz UQUVZCUDFZNRKT-KRWDZBQOSA-N 1 2 332.875 3.460 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)[C@@H]3CC3(C)C)cccc2C1 ZINC001051285740 1348418329 /nfs/dbraw/zinc/41/83/29/1348418329.db2.gz UQUVZCUDFZNRKT-KRWDZBQOSA-N 1 2 332.875 3.460 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1CCCCC1(C)C)CCO2 ZINC001053552479 1349061636 /nfs/dbraw/zinc/06/16/36/1349061636.db2.gz SCJVRZAHRHRXPN-KRWDZBQOSA-N 1 2 334.504 3.082 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1CCC(C(C)(C)C)CC1)O2 ZINC001053697142 1349096115 /nfs/dbraw/zinc/09/61/15/1349096115.db2.gz WXTPRWIQJHGEDC-ABHNRTSZSA-N 1 2 348.531 3.375 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(CCC)c(C)s1)O2 ZINC001053696436 1349096241 /nfs/dbraw/zinc/09/62/41/1349096241.db2.gz IVHIDVSMEQSLQX-MRXNPFEDSA-N 1 2 348.512 3.158 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C3CCC3)cc1)CO2 ZINC001053822930 1349111847 /nfs/dbraw/zinc/11/18/47/1349111847.db2.gz ZDJMWXSOKZZSTF-IBGZPJMESA-N 1 2 340.467 3.103 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@]1(C)CCC(C)=C(C)C1)CO2 ZINC001054020940 1349131566 /nfs/dbraw/zinc/13/15/66/1349131566.db2.gz XRQQRUSNQAEYFQ-MJGOQNOKSA-N 1 2 332.488 3.049 20 30 EGEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1oc(C)cc1C ZINC001054036834 1349132797 /nfs/dbraw/zinc/13/27/97/1349132797.db2.gz RQCIIGFBXDUYPQ-LJQANCHMSA-N 1 2 336.435 3.076 20 30 EGEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1oc(C)cc1C ZINC001054036834 1349132800 /nfs/dbraw/zinc/13/28/00/1349132800.db2.gz RQCIIGFBXDUYPQ-LJQANCHMSA-N 1 2 336.435 3.076 20 30 EGEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1c(C)cccc1C ZINC001054053457 1349140416 /nfs/dbraw/zinc/14/04/16/1349140416.db2.gz VINQVYVOOKFZJY-NRFANRHFSA-N 1 2 346.474 3.483 20 30 EGEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1c(C)cccc1C ZINC001054053457 1349140419 /nfs/dbraw/zinc/14/04/19/1349140419.db2.gz VINQVYVOOKFZJY-NRFANRHFSA-N 1 2 346.474 3.483 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc(C)cc1C ZINC001054059039 1349141101 /nfs/dbraw/zinc/14/11/01/1349141101.db2.gz DRBJLOTXYRHRDC-FQEVSTJZSA-N 1 2 332.447 3.093 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc(C)cc1C ZINC001054059039 1349141102 /nfs/dbraw/zinc/14/11/02/1349141102.db2.gz DRBJLOTXYRHRDC-FQEVSTJZSA-N 1 2 332.447 3.093 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc(Cl)c(Cl)[nH]3)cc2C1 ZINC001054275864 1349276097 /nfs/dbraw/zinc/27/60/97/1349276097.db2.gz DVFZJCLIMCZGIB-UHFFFAOYSA-N 1 2 348.233 3.200 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc(Cl)c(Cl)[nH]3)cc2C1 ZINC001054275864 1349276100 /nfs/dbraw/zinc/27/61/00/1349276100.db2.gz DVFZJCLIMCZGIB-UHFFFAOYSA-N 1 2 348.233 3.200 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)C(C)(C)CO3)C1 ZINC001080107133 1357487475 /nfs/dbraw/zinc/48/74/75/1357487475.db2.gz PRRYUFXFYWVIGH-MLGOLLRUSA-N 1 2 348.874 3.159 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)C(C)(C)CO3)C1 ZINC001080107133 1357487478 /nfs/dbraw/zinc/48/74/78/1357487478.db2.gz PRRYUFXFYWVIGH-MLGOLLRUSA-N 1 2 348.874 3.159 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H](N(C)c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001056997433 1349970961 /nfs/dbraw/zinc/97/09/61/1349970961.db2.gz BLWGLTXIWBJUMA-HNNXBMFYSA-N 1 2 330.476 3.158 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2oc3ccccc3c2OC)C1 ZINC001080256391 1357538393 /nfs/dbraw/zinc/53/83/93/1357538393.db2.gz MZFCTKBCPMWQQK-BXUZGUMPSA-N 1 2 348.830 3.244 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2oc3ccccc3c2OC)C1 ZINC001080256391 1357538394 /nfs/dbraw/zinc/53/83/94/1357538394.db2.gz MZFCTKBCPMWQQK-BXUZGUMPSA-N 1 2 348.830 3.244 20 30 EGEDLO C=C1CCC(C(=O)N2CCCC[C@@H]2CNc2cc[nH+]c(C)n2)CC1 ZINC001060301780 1350826507 /nfs/dbraw/zinc/82/65/07/1350826507.db2.gz YIRXEUKTZOGOSZ-QGZVFWFLSA-N 1 2 328.460 3.324 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(CC)[nH+]c(C)n1 ZINC001062013973 1351424403 /nfs/dbraw/zinc/42/44/03/1351424403.db2.gz OBOZMCAKHCAWOC-CALCHBBNSA-N 1 2 342.487 3.129 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@@H](CC)C1 ZINC001064413722 1352572215 /nfs/dbraw/zinc/57/22/15/1352572215.db2.gz ZIJHWMLDECNMBT-HOTGVXAUSA-N 1 2 330.476 3.426 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@](C)(CNc2cc[nH+]c(C)n2)C1 ZINC001065454697 1352798860 /nfs/dbraw/zinc/79/88/60/1352798860.db2.gz OIUIUBOVWLQRFT-QGZVFWFLSA-N 1 2 336.867 3.214 20 30 EGEDLO Cc1cc(C[NH+]2CCN(CCC#N)CC2)c(C)cc1Br ZINC001238280573 1376995577 /nfs/dbraw/zinc/99/55/77/1376995577.db2.gz DDBOTEVKZJVHMD-UHFFFAOYSA-N 1 2 336.277 3.097 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H](C)[C@H](Nc3cc(C)[nH+]c(C4CC4)n3)C2)C1 ZINC001067203212 1353338274 /nfs/dbraw/zinc/33/82/74/1353338274.db2.gz URNXRJXGCYRECC-XJKSGUPXSA-N 1 2 340.471 3.278 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([C@@H]2CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001067818819 1353537922 /nfs/dbraw/zinc/53/79/22/1353537922.db2.gz AZCWDPZZRQWTFM-DLBZAZTESA-N 1 2 342.487 3.062 20 30 EGEDLO C=C1CC(C)(C(=O)NC2CC(CNc3cc(C)[nH+]c(C4CC4)n3)C2)C1 ZINC001067884200 1353566900 /nfs/dbraw/zinc/56/69/00/1353566900.db2.gz AICOBAAYMHIZOK-UHFFFAOYSA-N 1 2 340.471 3.325 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3cccnc3c2)C1 ZINC001080639741 1357713825 /nfs/dbraw/zinc/71/38/25/1357713825.db2.gz VOLDNGKSBWUHKF-SJKOYZFVSA-N 1 2 329.831 3.037 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3cccnc3c2)C1 ZINC001080639741 1357713826 /nfs/dbraw/zinc/71/38/26/1357713826.db2.gz VOLDNGKSBWUHKF-SJKOYZFVSA-N 1 2 329.831 3.037 20 30 EGEDLO C=C(C)CC[N@@H+]1Cc2cnn(C3CCN(C(=O)C4CCC4)CC3)c2C1 ZINC001070341529 1354324255 /nfs/dbraw/zinc/32/42/55/1354324255.db2.gz MOIRXYYJOXDIKE-UHFFFAOYSA-N 1 2 342.487 3.129 20 30 EGEDLO C=C(C)CC[N@H+]1Cc2cnn(C3CCN(C(=O)C4CCC4)CC3)c2C1 ZINC001070341529 1354324258 /nfs/dbraw/zinc/32/42/58/1354324258.db2.gz MOIRXYYJOXDIKE-UHFFFAOYSA-N 1 2 342.487 3.129 20 30 EGEDLO Cc1ccoc1C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001071352964 1354623074 /nfs/dbraw/zinc/62/30/74/1354623074.db2.gz YQNUDSAIRBECOB-UONOGXRCSA-N 1 2 343.452 3.304 20 30 EGEDLO Cc1ccoc1C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C#N)s2)C1 ZINC001071352964 1354623079 /nfs/dbraw/zinc/62/30/79/1354623079.db2.gz YQNUDSAIRBECOB-UONOGXRCSA-N 1 2 343.452 3.304 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc3oc(C)nc3c2)CC[C@@H]1C ZINC001071600629 1354788592 /nfs/dbraw/zinc/78/85/92/1354788592.db2.gz OJVLNLCOAMTNSV-SWLSCSKDSA-N 1 2 347.846 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc3oc(C)nc3c2)CC[C@@H]1C ZINC001071600629 1354788594 /nfs/dbraw/zinc/78/85/94/1354788594.db2.gz OJVLNLCOAMTNSV-SWLSCSKDSA-N 1 2 347.846 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cccc(COC)c2)CC[C@H]1C ZINC001071658686 1354831099 /nfs/dbraw/zinc/83/10/99/1354831099.db2.gz GJSYIUBIZFSMJG-RHSMWYFYSA-N 1 2 336.863 3.168 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccc(COC)c2)CC[C@H]1C ZINC001071658686 1354831103 /nfs/dbraw/zinc/83/11/03/1354831103.db2.gz GJSYIUBIZFSMJG-RHSMWYFYSA-N 1 2 336.863 3.168 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cccc(COC)c2)CC[C@H]1C ZINC001071658685 1354831908 /nfs/dbraw/zinc/83/19/08/1354831908.db2.gz GJSYIUBIZFSMJG-PBHICJAKSA-N 1 2 336.863 3.168 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cccc(COC)c2)CC[C@H]1C ZINC001071658685 1354831912 /nfs/dbraw/zinc/83/19/12/1354831912.db2.gz GJSYIUBIZFSMJG-PBHICJAKSA-N 1 2 336.863 3.168 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc(C(C)(C)C)on2)CC[C@H]1C ZINC001071679556 1354845719 /nfs/dbraw/zinc/84/57/19/1354845719.db2.gz NMMLNFGRJUVWCA-CHWSQXEVSA-N 1 2 339.867 3.307 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc(C(C)(C)C)on2)CC[C@H]1C ZINC001071679556 1354845726 /nfs/dbraw/zinc/84/57/26/1354845726.db2.gz NMMLNFGRJUVWCA-CHWSQXEVSA-N 1 2 339.867 3.307 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2c(F)cccc2F)CC[C@@H]1C ZINC001071772598 1354919882 /nfs/dbraw/zinc/91/98/82/1354919882.db2.gz NEXSHJNQDUMQGS-STQMWFEESA-N 1 2 342.817 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2c(F)cccc2F)CC[C@@H]1C ZINC001071772598 1354919885 /nfs/dbraw/zinc/91/98/85/1354919885.db2.gz NEXSHJNQDUMQGS-STQMWFEESA-N 1 2 342.817 3.229 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3ncc(C)o3)C2)CC1 ZINC001071789105 1354935104 /nfs/dbraw/zinc/93/51/04/1354935104.db2.gz ONIBNUAEPPSEPN-WMLDXEAASA-N 1 2 331.460 3.199 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3ncc(C)o3)C2)CC1 ZINC001071789105 1354935107 /nfs/dbraw/zinc/93/51/07/1354935107.db2.gz ONIBNUAEPPSEPN-WMLDXEAASA-N 1 2 331.460 3.199 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cnn(C(C)C)c2C)CC[C@H]1C ZINC001071983101 1355059507 /nfs/dbraw/zinc/05/95/07/1355059507.db2.gz WJGDGXGBZXRDTI-UKRRQHHQSA-N 1 2 338.883 3.108 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cnn(C(C)C)c2C)CC[C@H]1C ZINC001071983101 1355059510 /nfs/dbraw/zinc/05/95/10/1355059510.db2.gz WJGDGXGBZXRDTI-UKRRQHHQSA-N 1 2 338.883 3.108 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc3n(c2)CCCC3)CC[C@H]1C ZINC001072130693 1355145847 /nfs/dbraw/zinc/14/58/47/1355145847.db2.gz XNUAOXWOOPSFLQ-GDBMZVCRSA-N 1 2 335.879 3.160 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc3n(c2)CCCC3)CC[C@H]1C ZINC001072130693 1355145849 /nfs/dbraw/zinc/14/58/49/1355145849.db2.gz XNUAOXWOOPSFLQ-GDBMZVCRSA-N 1 2 335.879 3.160 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(C)c3Cl)C[C@@H]21 ZINC001074360489 1356184183 /nfs/dbraw/zinc/18/41/83/1356184183.db2.gz NCRAJJXITAFPDN-DLBZAZTESA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(C)c3Cl)C[C@@H]21 ZINC001074360489 1356184185 /nfs/dbraw/zinc/18/41/85/1356184185.db2.gz NCRAJJXITAFPDN-DLBZAZTESA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C4CC4)cc3)C[C@H]21 ZINC001074410815 1356195353 /nfs/dbraw/zinc/19/53/53/1356195353.db2.gz YGNDNFNJUMXQQY-UXHICEINSA-N 1 2 340.467 3.055 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C4CC4)cc3)C[C@H]21 ZINC001074410815 1356195355 /nfs/dbraw/zinc/19/53/55/1356195355.db2.gz YGNDNFNJUMXQQY-UXHICEINSA-N 1 2 340.467 3.055 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC=C(Cl)Cl)C1 ZINC001097810962 1363127761 /nfs/dbraw/zinc/12/77/61/1363127761.db2.gz XRCFTLKMTCLWTN-UPJWGTAASA-N 1 2 329.271 3.383 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4cc(C)ccc4[nH]3)[C@@H]2C1 ZINC001076116449 1356494612 /nfs/dbraw/zinc/49/46/12/1356494612.db2.gz XSXCMTLORHVCIG-KBXCAEBGSA-N 1 2 343.858 3.375 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4cc(C)ccc4[nH]3)[C@@H]2C1 ZINC001076116449 1356494613 /nfs/dbraw/zinc/49/46/13/1356494613.db2.gz XSXCMTLORHVCIG-KBXCAEBGSA-N 1 2 343.858 3.375 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(Cl)c3)[C@@H]2C1 ZINC001076490082 1356591916 /nfs/dbraw/zinc/59/19/16/1356591916.db2.gz WDOWXNULXSCOJW-DZGCQCFKSA-N 1 2 325.239 3.239 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(Cl)c3)[C@@H]2C1 ZINC001076490082 1356591918 /nfs/dbraw/zinc/59/19/18/1356591918.db2.gz WDOWXNULXSCOJW-DZGCQCFKSA-N 1 2 325.239 3.239 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3cnccc3c2)C1 ZINC001080727966 1357728387 /nfs/dbraw/zinc/72/83/87/1357728387.db2.gz ATQVRSOSSIBMSS-SJKOYZFVSA-N 1 2 329.831 3.037 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3cnccc3c2)C1 ZINC001080727966 1357728391 /nfs/dbraw/zinc/72/83/91/1357728391.db2.gz ATQVRSOSSIBMSS-SJKOYZFVSA-N 1 2 329.831 3.037 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(F)c3)[C@@H]2C1 ZINC001084164650 1358150188 /nfs/dbraw/zinc/15/01/88/1358150188.db2.gz QGJTZXVRHGNZNN-UYAOXDASSA-N 1 2 349.409 3.044 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(F)c3)[C@@H]2C1 ZINC001084164650 1358150191 /nfs/dbraw/zinc/15/01/91/1358150191.db2.gz QGJTZXVRHGNZNN-UYAOXDASSA-N 1 2 349.409 3.044 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](CC=C(Cl)Cl)C[C@H]21 ZINC001084634802 1358262995 /nfs/dbraw/zinc/26/29/95/1358262995.db2.gz FGPMVAYNQFBQHO-IOASZLSFSA-N 1 2 331.287 3.440 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](CC=C(Cl)Cl)C[C@H]21 ZINC001084634802 1358262996 /nfs/dbraw/zinc/26/29/96/1358262996.db2.gz FGPMVAYNQFBQHO-IOASZLSFSA-N 1 2 331.287 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC5CC(CC(C5)C3)C4)[C@@H]2C1 ZINC001084792385 1358312086 /nfs/dbraw/zinc/31/20/86/1358312086.db2.gz ZXTKTOBCRDABJI-JFNPMQPZSA-N 1 2 348.918 3.488 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C34CC5CC(CC(C5)C3)C4)[C@@H]2C1 ZINC001084792385 1358312087 /nfs/dbraw/zinc/31/20/87/1358312087.db2.gz ZXTKTOBCRDABJI-JFNPMQPZSA-N 1 2 348.918 3.488 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(F)cc3Cl)[C@@H]2C1 ZINC001084809155 1358316066 /nfs/dbraw/zinc/31/60/66/1358316066.db2.gz AHLMNDDETTUMAQ-IAQYHMDHSA-N 1 2 343.229 3.378 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(F)cc3Cl)[C@@H]2C1 ZINC001084809155 1358316067 /nfs/dbraw/zinc/31/60/67/1358316067.db2.gz AHLMNDDETTUMAQ-IAQYHMDHSA-N 1 2 343.229 3.378 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)CCC4)[C@@H]2C1 ZINC001084822723 1358320810 /nfs/dbraw/zinc/32/08/10/1358320810.db2.gz ODXKWQJCXDHBAH-QZTJIDSGSA-N 1 2 330.859 3.074 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)CCC4)[C@@H]2C1 ZINC001084822723 1358320812 /nfs/dbraw/zinc/32/08/12/1358320812.db2.gz ODXKWQJCXDHBAH-QZTJIDSGSA-N 1 2 330.859 3.074 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1)C(=O)C1CC=CC1 ZINC001085522376 1358560408 /nfs/dbraw/zinc/56/04/08/1358560408.db2.gz LWOXCPKLSCSYQL-IBGZPJMESA-N 1 2 342.870 3.190 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1)C(=O)C1CC=CC1 ZINC001085522376 1358560411 /nfs/dbraw/zinc/56/04/11/1358560411.db2.gz LWOXCPKLSCSYQL-IBGZPJMESA-N 1 2 342.870 3.190 20 30 EGEDLO CC1CC(C(=O)N(C)C[C@H]2CC[N@@H+]2CC#Cc2cccc(Cl)c2)C1 ZINC001085540788 1358580131 /nfs/dbraw/zinc/58/01/31/1358580131.db2.gz GSWKALMSPDKNDA-GXOAENINSA-N 1 2 344.886 3.270 20 30 EGEDLO CC1CC(C(=O)N(C)C[C@H]2CC[N@H+]2CC#Cc2cccc(Cl)c2)C1 ZINC001085540788 1358580134 /nfs/dbraw/zinc/58/01/34/1358580134.db2.gz GSWKALMSPDKNDA-GXOAENINSA-N 1 2 344.886 3.270 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1)C(=O)C1CC(C)(C)C1 ZINC001085578740 1358609572 /nfs/dbraw/zinc/60/95/72/1358609572.db2.gz VTIDVAXKVJPQEF-KRWDZBQOSA-N 1 2 343.446 3.166 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1)C(=O)C1CC(C)(C)C1 ZINC001085578740 1358609578 /nfs/dbraw/zinc/60/95/78/1358609578.db2.gz VTIDVAXKVJPQEF-KRWDZBQOSA-N 1 2 343.446 3.166 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)C1CC(C)(C)C1 ZINC001085578640 1358609833 /nfs/dbraw/zinc/60/98/33/1358609833.db2.gz SYKXVZMAHQYCRL-AWEZNQCLSA-N 1 2 331.485 3.089 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)C1CC(C)(C)C1 ZINC001085578640 1358609835 /nfs/dbraw/zinc/60/98/35/1358609835.db2.gz SYKXVZMAHQYCRL-AWEZNQCLSA-N 1 2 331.485 3.089 20 30 EGEDLO C[C@H]1C[C@@H](CF)N(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)C1 ZINC001183828088 1387355172 /nfs/dbraw/zinc/35/51/72/1387355172.db2.gz CSLOZPLOMJLWRN-ZYSHUDEJSA-N 1 2 343.446 3.119 20 30 EGEDLO C[C@H]1C[C@@H](CF)N(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)C1 ZINC001183828088 1387355175 /nfs/dbraw/zinc/35/51/75/1387355175.db2.gz CSLOZPLOMJLWRN-ZYSHUDEJSA-N 1 2 343.446 3.119 20 30 EGEDLO CCc1ccoc1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001085799881 1358774980 /nfs/dbraw/zinc/77/49/80/1358774980.db2.gz FKUMAIPHMRLXFM-SFHVURJKSA-N 1 2 337.423 3.060 20 30 EGEDLO CCc1ccoc1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001085799881 1358774984 /nfs/dbraw/zinc/77/49/84/1358774984.db2.gz FKUMAIPHMRLXFM-SFHVURJKSA-N 1 2 337.423 3.060 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2oc(CC)nc2C)CC1 ZINC001085800869 1358776646 /nfs/dbraw/zinc/77/66/46/1358776646.db2.gz DNXXLHADUAMTBB-QGZVFWFLSA-N 1 2 345.487 3.325 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2oc(CC)nc2C)CC1 ZINC001085800869 1358776648 /nfs/dbraw/zinc/77/66/48/1358776648.db2.gz DNXXLHADUAMTBB-QGZVFWFLSA-N 1 2 345.487 3.325 20 30 EGEDLO Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)cc1 ZINC001085940667 1358898121 /nfs/dbraw/zinc/89/81/21/1358898121.db2.gz MACBYCXBSOQTCS-MRXNPFEDSA-N 1 2 339.464 3.275 20 30 EGEDLO Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)cc1 ZINC001085940667 1358898123 /nfs/dbraw/zinc/89/81/23/1358898123.db2.gz MACBYCXBSOQTCS-MRXNPFEDSA-N 1 2 339.464 3.275 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccoc2C)[C@H]1CC ZINC001087497262 1359497551 /nfs/dbraw/zinc/49/75/51/1359497551.db2.gz FAQPFESIZYBARH-UONOGXRCSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccoc2C)[C@H]1CC ZINC001087497262 1359497553 /nfs/dbraw/zinc/49/75/53/1359497553.db2.gz FAQPFESIZYBARH-UONOGXRCSA-N 1 2 341.249 3.079 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[C@@H]2C)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001087690004 1359592097 /nfs/dbraw/zinc/59/20/97/1359592097.db2.gz DKPCCODVXLGUDG-OYSPMZIOSA-N 1 2 344.886 3.317 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[C@@H]2C)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001087690004 1359592100 /nfs/dbraw/zinc/59/21/00/1359592100.db2.gz DKPCCODVXLGUDG-OYSPMZIOSA-N 1 2 344.886 3.317 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@@H]1C)C1CC1 ZINC001088509861 1359947809 /nfs/dbraw/zinc/94/78/09/1359947809.db2.gz HFCHVFKSGMQNSK-CLCXKQKWSA-N 1 2 344.886 3.317 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@@H]1C)C1CC1 ZINC001088509861 1359947811 /nfs/dbraw/zinc/94/78/11/1359947811.db2.gz HFCHVFKSGMQNSK-CLCXKQKWSA-N 1 2 344.886 3.317 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc([C@@H]3CCOC3)c2)[C@H]1C ZINC001088681938 1360011049 /nfs/dbraw/zinc/01/10/49/1360011049.db2.gz ADWSQQVDHUJDGZ-OLMNPRSZSA-N 1 2 348.874 3.136 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc([C@@H]3CCOC3)c2)[C@H]1C ZINC001088681938 1360011053 /nfs/dbraw/zinc/01/10/53/1360011053.db2.gz ADWSQQVDHUJDGZ-OLMNPRSZSA-N 1 2 348.874 3.136 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)c(C)o3)[C@@H]2C)CC1 ZINC001088835254 1360070913 /nfs/dbraw/zinc/07/09/13/1360070913.db2.gz MHHAUBAKJJWXNV-PBHICJAKSA-N 1 2 331.460 3.117 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)c(C)o3)[C@@H]2C)CC1 ZINC001088835254 1360070917 /nfs/dbraw/zinc/07/09/17/1360070917.db2.gz MHHAUBAKJJWXNV-PBHICJAKSA-N 1 2 331.460 3.117 20 30 EGEDLO C=Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=C)Br)[C@@H]2C)cc1 ZINC001088874943 1360083566 /nfs/dbraw/zinc/08/35/66/1360083566.db2.gz GOCDFPVFBDDYOU-CJNGLKHVSA-N 1 2 349.272 3.431 20 30 EGEDLO C=Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=C)Br)[C@@H]2C)cc1 ZINC001088874943 1360083572 /nfs/dbraw/zinc/08/35/72/1360083572.db2.gz GOCDFPVFBDDYOU-CJNGLKHVSA-N 1 2 349.272 3.431 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C)c(OCC)c2)[C@H]1C ZINC001088895526 1360096126 /nfs/dbraw/zinc/09/61/26/1360096126.db2.gz HLXPAFXAUAXFBT-ZBFHGGJFSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)c(OCC)c2)[C@H]1C ZINC001088895526 1360096128 /nfs/dbraw/zinc/09/61/28/1360096128.db2.gz HLXPAFXAUAXFBT-ZBFHGGJFSA-N 1 2 336.863 3.339 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H](C)[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001089183711 1360233499 /nfs/dbraw/zinc/23/34/99/1360233499.db2.gz GRQKEJMWOIGXKG-SJLPKXTDSA-N 1 2 342.487 3.265 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H](C)[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001089184549 1360234654 /nfs/dbraw/zinc/23/46/54/1360234654.db2.gz SJIHKXIDNCYJAW-CRAIPNDOSA-N 1 2 342.487 3.450 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1csc(C)n1 ZINC001089683270 1360588996 /nfs/dbraw/zinc/58/89/96/1360588996.db2.gz PXJUXUSLTZQTHK-ZDUSSCGKSA-N 1 2 341.908 3.424 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1csc(C)n1 ZINC001089683270 1360589000 /nfs/dbraw/zinc/58/90/00/1360589000.db2.gz PXJUXUSLTZQTHK-ZDUSSCGKSA-N 1 2 341.908 3.424 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H](C)N(CC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001089720083 1360622344 /nfs/dbraw/zinc/62/23/44/1360622344.db2.gz PKGPNDZPQUIHEM-OAHLLOKOSA-N 1 2 332.492 3.452 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H](C)N(CC)c1nc(C)[nH+]c(C)c1C ZINC001089757952 1360651603 /nfs/dbraw/zinc/65/16/03/1360651603.db2.gz SYUFKYNOXDPBAV-CYBMUJFWSA-N 1 2 332.492 3.335 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N[C@@H](C)CCCCNc1cc[nH+]c(C)n1)OCC ZINC001090117632 1360834139 /nfs/dbraw/zinc/83/41/39/1360834139.db2.gz UEJQPEWRDPGVHI-DOTOQJQBSA-N 1 2 348.491 3.243 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)CC1CCCC1 ZINC001481023209 1393097597 /nfs/dbraw/zinc/09/75/97/1393097597.db2.gz BTDRYXFGBSDIQR-CQSZACIVSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)CC1CCCC1 ZINC001481023209 1393097600 /nfs/dbraw/zinc/09/76/00/1393097600.db2.gz BTDRYXFGBSDIQR-CQSZACIVSA-N 1 2 329.282 3.056 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1CC ZINC001091817530 1361227062 /nfs/dbraw/zinc/22/70/62/1361227062.db2.gz UVWJQTHWUHXJOW-JKSUJKDBSA-N 1 2 330.476 3.088 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001092038605 1361278356 /nfs/dbraw/zinc/27/83/56/1361278356.db2.gz LRWJEPJATPMIDA-VMGRFDJRSA-N 1 2 330.476 3.088 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)C2(CC3CC3)CCC(F)(F)CC2)CC1 ZINC001184661044 1387505715 /nfs/dbraw/zinc/50/57/15/1387505715.db2.gz FDVFWBIAHPBLDP-UHFFFAOYSA-N 1 2 326.431 3.312 20 30 EGEDLO C=CCC1(C(=O)N2C[C@@H](C)[C@H](CCNc3cc[nH+]c(C)n3)C2)CCC1 ZINC001092626917 1361425629 /nfs/dbraw/zinc/42/56/29/1361425629.db2.gz MEEGAWXKLSMVQG-NVXWUHKLSA-N 1 2 342.487 3.428 20 30 EGEDLO C=CCCC(=O)N1C[C@@H](CNc2cc(C)[nH+]c(C(C)C)n2)[C@H](C)C1 ZINC001092633397 1361428561 /nfs/dbraw/zinc/42/85/61/1361428561.db2.gz LXYFOSBYMURERV-GDBMZVCRSA-N 1 2 330.476 3.381 20 30 EGEDLO C=CCCC1(C(=O)N2C[C@@H](CNc3cc[nH+]c(C)n3)[C@H](C)C2)CC1 ZINC001092674387 1361438651 /nfs/dbraw/zinc/43/86/51/1361438651.db2.gz DWPGRGIOULVZSH-GDBMZVCRSA-N 1 2 328.460 3.038 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001092911849 1361486064 /nfs/dbraw/zinc/48/60/64/1361486064.db2.gz MPRGDLRJVUETQN-NARAOEGZSA-N 1 2 342.487 3.176 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(C2CC2)n1 ZINC001093041085 1361514369 /nfs/dbraw/zinc/51/43/69/1361514369.db2.gz WPUXICTVMUOVIY-ZACQAIPSSA-N 1 2 340.471 3.245 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CCC=CCCC3)CC2)C1 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QFGBQQTZRNETRC-IAGOWNOFSA-N 1 2 330.476 3.041 20 30 EGEDLO C=CCC1(C(=O)N2CCC(CNc3cc[nH+]c(C)n3)CC2)CCC1 ZINC001095270756 1362077968 /nfs/dbraw/zinc/07/79/68/1362077968.db2.gz DKJQKCVANKJQFV-UHFFFAOYSA-N 1 2 328.460 3.182 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001095323379 1362100661 /nfs/dbraw/zinc/10/06/61/1362100661.db2.gz UXLPAICGWZTAIQ-MRXNPFEDSA-N 1 2 342.487 3.423 20 30 EGEDLO C=CCCCC(=O)NC1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095446529 1362143901 /nfs/dbraw/zinc/14/39/01/1362143901.db2.gz WBRZFPKWLMHQFL-UHFFFAOYSA-N 1 2 328.460 3.104 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001095749736 1362220702 /nfs/dbraw/zinc/22/07/02/1362220702.db2.gz FZXLTLPYSMIBOE-UHFFFAOYSA-N 1 2 330.476 3.207 20 30 EGEDLO Cc1nc(N[C@@H](C)[C@@H]2CCCCN2C(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001095798584 1362233153 /nfs/dbraw/zinc/23/31/53/1362233153.db2.gz XVVCXEVVKGLTDU-HOCLYGCPSA-N 1 2 328.460 3.016 20 30 EGEDLO CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CC=CC1 ZINC001095969187 1362314204 /nfs/dbraw/zinc/31/42/04/1362314204.db2.gz ILBCCUPBWFDYHX-QYZOEREBSA-N 1 2 335.451 3.136 20 30 EGEDLO CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CC=CC1 ZINC001095969187 1362314206 /nfs/dbraw/zinc/31/42/06/1362314206.db2.gz ILBCCUPBWFDYHX-QYZOEREBSA-N 1 2 335.451 3.136 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCCN(c1nc(C)[nH+]c(C)c1C)C1CC1 ZINC001096077805 1362372198 /nfs/dbraw/zinc/37/21/98/1362372198.db2.gz BYCBBHYOZNKHDK-HXUWFJFHSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N(C)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001096127270 1362397246 /nfs/dbraw/zinc/39/72/46/1362397246.db2.gz YIIKBESKZSVHFG-FQEVSTJZSA-N 1 2 344.503 3.431 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3c1ccn3C)C2 ZINC001096181032 1362417877 /nfs/dbraw/zinc/41/78/77/1362417877.db2.gz MVEOJESMFDCPMW-SKDZVZGDSA-N 1 2 343.858 3.266 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3c1ccn3C)C2 ZINC001096181032 1362417880 /nfs/dbraw/zinc/41/78/80/1362417880.db2.gz MVEOJESMFDCPMW-SKDZVZGDSA-N 1 2 343.858 3.266 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc3c(c1)CCC3)C2 ZINC001096528122 1362556250 /nfs/dbraw/zinc/55/62/50/1362556250.db2.gz VIGYDNPILNPARA-QYZOEREBSA-N 1 2 344.886 3.192 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc3c(c1)CCC3)C2 ZINC001096528122 1362556255 /nfs/dbraw/zinc/55/62/55/1362556255.db2.gz VIGYDNPILNPARA-QYZOEREBSA-N 1 2 344.886 3.192 20 30 EGEDLO C=C[C@H](CC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001096942406 1362785654 /nfs/dbraw/zinc/78/56/54/1362785654.db2.gz ZKSLSAXIEYRYJS-AEFFLSMTSA-N 1 2 336.439 3.158 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC13CC3)C2 ZINC001097327993 1362935677 /nfs/dbraw/zinc/93/56/77/1362935677.db2.gz XFPUCVBJCDGONY-WCIQWLHISA-N 1 2 349.478 3.360 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC13CC3)C2 ZINC001097327993 1362935679 /nfs/dbraw/zinc/93/56/79/1362935679.db2.gz XFPUCVBJCDGONY-WCIQWLHISA-N 1 2 349.478 3.360 20 30 EGEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl ZINC001097357432 1362950195 /nfs/dbraw/zinc/95/01/95/1362950195.db2.gz MURKRSZITQKYEA-OIISXLGYSA-N 1 2 346.858 3.339 20 30 EGEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl ZINC001097357432 1362950198 /nfs/dbraw/zinc/95/01/98/1362950198.db2.gz MURKRSZITQKYEA-OIISXLGYSA-N 1 2 346.858 3.339 20 30 EGEDLO C=CCCC(=O)N1CCC[C@@H](CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001097364278 1362952948 /nfs/dbraw/zinc/95/29/48/1362952948.db2.gz UVSURRACYSYLBS-INIZCTEOSA-N 1 2 342.487 3.281 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3cccnc31)C2 ZINC001097458283 1363002658 /nfs/dbraw/zinc/00/26/58/1363002658.db2.gz GECPDDNMILTMNR-OIISXLGYSA-N 1 2 341.842 3.322 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3cccnc31)C2 ZINC001097458283 1363002661 /nfs/dbraw/zinc/00/26/61/1363002661.db2.gz GECPDDNMILTMNR-OIISXLGYSA-N 1 2 341.842 3.322 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3c1O[C@@H](C)C3)C2 ZINC001097560386 1363056856 /nfs/dbraw/zinc/05/68/56/1363056856.db2.gz PAZUILRNEARKLT-JFOHDYCDSA-N 1 2 346.858 3.098 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3c1O[C@@H](C)C3)C2 ZINC001097560386 1363056857 /nfs/dbraw/zinc/05/68/57/1363056857.db2.gz PAZUILRNEARKLT-JFOHDYCDSA-N 1 2 346.858 3.098 20 30 EGEDLO C=CCC1(C(=O)N2C[C@@H]3CC[C@H](Nc4cc[nH+]c(C)n4)[C@H]3C2)CCC1 ZINC001097605738 1363069864 /nfs/dbraw/zinc/06/98/64/1363069864.db2.gz CGZSAHBQCLLSBM-ULQDDVLXSA-N 1 2 340.471 3.180 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3ncccc3c1)C2 ZINC001097771155 1363117312 /nfs/dbraw/zinc/11/73/12/1363117312.db2.gz HYQYWRLCHRGRPA-NXHRZFHOSA-N 1 2 341.842 3.322 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3ncccc3c1)C2 ZINC001097771155 1363117316 /nfs/dbraw/zinc/11/73/16/1363117316.db2.gz HYQYWRLCHRGRPA-NXHRZFHOSA-N 1 2 341.842 3.322 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc(C)sc2C)C1 ZINC001097805726 1363124962 /nfs/dbraw/zinc/12/49/62/1363124962.db2.gz URGLODNVPVBPCR-INMHGKMJSA-N 1 2 345.512 3.338 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc(C)sc2C)C1 ZINC001097805726 1363124966 /nfs/dbraw/zinc/12/49/66/1363124966.db2.gz URGLODNVPVBPCR-INMHGKMJSA-N 1 2 345.512 3.338 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC=C(Cl)Cl)C1 ZINC001097810962 1363127759 /nfs/dbraw/zinc/12/77/59/1363127759.db2.gz XRCFTLKMTCLWTN-UPJWGTAASA-N 1 2 329.271 3.383 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3ccccc3c1)C2 ZINC001097931213 1363169576 /nfs/dbraw/zinc/16/95/76/1363169576.db2.gz NEVNOHZBQYJGQS-NXHRZFHOSA-N 1 2 341.842 3.322 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3ccccc3c1)C2 ZINC001097931213 1363169580 /nfs/dbraw/zinc/16/95/80/1363169580.db2.gz NEVNOHZBQYJGQS-NXHRZFHOSA-N 1 2 341.842 3.322 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001098174427 1363244134 /nfs/dbraw/zinc/24/41/34/1363244134.db2.gz ZOEWMPMQQBIKOS-KXBFYZLASA-N 1 2 348.491 3.054 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001098245014 1363267859 /nfs/dbraw/zinc/26/78/59/1363267859.db2.gz WSRRSSKAFZSBTK-BFUOFWGJSA-N 1 2 330.476 3.183 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)CCC3)C2 ZINC001098369902 1363308807 /nfs/dbraw/zinc/30/88/07/1363308807.db2.gz JQBKKVOUNAUPNL-KURKYZTESA-N 1 2 330.859 3.263 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)CCC3)C2 ZINC001098369902 1363308810 /nfs/dbraw/zinc/30/88/10/1363308810.db2.gz JQBKKVOUNAUPNL-KURKYZTESA-N 1 2 330.859 3.263 20 30 EGEDLO Cc1cc(C)c(C(=O)NC[C@@H](C)Nc2cccc(F)c2C#N)c(C)[nH+]1 ZINC001098431584 1363324167 /nfs/dbraw/zinc/32/41/67/1363324167.db2.gz RUUCOLQUQNSDSF-CYBMUJFWSA-N 1 2 340.402 3.248 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(C)CCc3ccccc31)C2 ZINC001098482144 1363339389 /nfs/dbraw/zinc/33/93/89/1363339389.db2.gz SDVDBVPNWSQJBU-PHXBYCTMSA-N 1 2 344.886 3.365 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(C)CCc3ccccc31)C2 ZINC001098482144 1363339390 /nfs/dbraw/zinc/33/93/90/1363339390.db2.gz SDVDBVPNWSQJBU-PHXBYCTMSA-N 1 2 344.886 3.365 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001098604669 1363395118 /nfs/dbraw/zinc/39/51/18/1363395118.db2.gz ADTFZNNXNWSVSS-HOTGVXAUSA-N 1 2 342.487 3.469 20 30 EGEDLO C=C(C)CCC(=O)NCc1ccc(CCNc2cc[nH+]c(C)n2)cc1 ZINC001098666346 1363427624 /nfs/dbraw/zinc/42/76/24/1363427624.db2.gz YBYRGLNPEKNEMN-UHFFFAOYSA-N 1 2 338.455 3.412 20 30 EGEDLO CC(F)(F)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ccccc1C#N ZINC001098861712 1363495693 /nfs/dbraw/zinc/49/56/93/1363495693.db2.gz CYZCBXZUUAOOBK-INIZCTEOSA-N 1 2 349.425 3.320 20 30 EGEDLO CC(F)(F)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ccccc1C#N ZINC001098861712 1363495695 /nfs/dbraw/zinc/49/56/95/1363495695.db2.gz CYZCBXZUUAOOBK-INIZCTEOSA-N 1 2 349.425 3.320 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)n1cccc1 ZINC001099023984 1363581220 /nfs/dbraw/zinc/58/12/20/1363581220.db2.gz YMEGUIUFUXDSJD-HOTGVXAUSA-N 1 2 337.895 3.408 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)n1cccc1 ZINC001099023984 1363581223 /nfs/dbraw/zinc/58/12/23/1363581223.db2.gz YMEGUIUFUXDSJD-HOTGVXAUSA-N 1 2 337.895 3.408 20 30 EGEDLO Cc1csc(C[N@H+]2CC(C)(C)CC[C@@H]2CNC(=O)C#CC(C)C)n1 ZINC001099065762 1363604166 /nfs/dbraw/zinc/60/41/66/1363604166.db2.gz WRONEOLRLKLRAU-MRXNPFEDSA-N 1 2 347.528 3.218 20 30 EGEDLO Cc1csc(C[N@@H+]2CC(C)(C)CC[C@@H]2CNC(=O)C#CC(C)C)n1 ZINC001099065762 1363604167 /nfs/dbraw/zinc/60/41/67/1363604167.db2.gz WRONEOLRLKLRAU-MRXNPFEDSA-N 1 2 347.528 3.218 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nccn1C ZINC001099093353 1363617806 /nfs/dbraw/zinc/61/78/06/1363617806.db2.gz OYMWAVJQQIOMQX-INIZCTEOSA-N 1 2 346.519 3.129 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nccn1C ZINC001099093353 1363617807 /nfs/dbraw/zinc/61/78/07/1363617807.db2.gz OYMWAVJQQIOMQX-INIZCTEOSA-N 1 2 346.519 3.129 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CCC)OC ZINC001099170589 1363668332 /nfs/dbraw/zinc/66/83/32/1363668332.db2.gz IXXRVFIYCYSOGL-HUUCEWRRSA-N 1 2 330.900 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CCC)OC ZINC001099170589 1363668334 /nfs/dbraw/zinc/66/83/34/1363668334.db2.gz IXXRVFIYCYSOGL-HUUCEWRRSA-N 1 2 330.900 3.161 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccon1 ZINC001099193415 1363684678 /nfs/dbraw/zinc/68/46/78/1363684678.db2.gz BHVCKXZWXNXUFV-DOTOQJQBSA-N 1 2 333.476 3.384 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccon1 ZINC001099193415 1363684681 /nfs/dbraw/zinc/68/46/81/1363684681.db2.gz BHVCKXZWXNXUFV-DOTOQJQBSA-N 1 2 333.476 3.384 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2Cc2ccon2)C1 ZINC001099230826 1363704234 /nfs/dbraw/zinc/70/42/34/1363704234.db2.gz XMDWJNZYFRISOJ-MRXNPFEDSA-N 1 2 331.460 3.138 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2Cc2ccon2)C1 ZINC001099230826 1363704236 /nfs/dbraw/zinc/70/42/36/1363704236.db2.gz XMDWJNZYFRISOJ-MRXNPFEDSA-N 1 2 331.460 3.138 20 30 EGEDLO CC(C)c1cc(N(C)CCNC(=O)C#CC(C)(C)C)nc(C(C)C)[nH+]1 ZINC001100063242 1364008586 /nfs/dbraw/zinc/00/85/86/1364008586.db2.gz XSDMUURIUQRTIP-UHFFFAOYSA-N 1 2 344.503 3.325 20 30 EGEDLO C#CCCCC(=O)NCCN(CC)c1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001100508134 1364140599 /nfs/dbraw/zinc/14/05/99/1364140599.db2.gz REWMCMNMPPHJSM-UHFFFAOYSA-N 1 2 344.503 3.469 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCCN(CC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001100691312 1364220525 /nfs/dbraw/zinc/22/05/25/1364220525.db2.gz NORQMAOFFOAZKS-HOCLYGCPSA-N 1 2 332.492 3.309 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001101017881 1364375755 /nfs/dbraw/zinc/37/57/55/1364375755.db2.gz QYALIXMWXASDTE-HNNXBMFYSA-N 1 2 342.487 3.207 20 30 EGEDLO C#CCCCCC(=O)NCCN(c1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001101313422 1364506143 /nfs/dbraw/zinc/50/61/43/1364506143.db2.gz VOJWWKWQRNDTRF-UHFFFAOYSA-N 1 2 342.487 3.187 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCN(c1nc(C)[nH+]c(C)c1C)C1CC1 ZINC001101421126 1364554884 /nfs/dbraw/zinc/55/48/84/1364554884.db2.gz SRCGDIWYTFSGMV-UHFFFAOYSA-N 1 2 330.476 3.089 20 30 EGEDLO C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001101543625 1364608493 /nfs/dbraw/zinc/60/84/93/1364608493.db2.gz SPTIOITUNZRCKH-ZDUSSCGKSA-N 1 2 338.389 3.317 20 30 EGEDLO C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001101543625 1364608494 /nfs/dbraw/zinc/60/84/94/1364608494.db2.gz SPTIOITUNZRCKH-ZDUSSCGKSA-N 1 2 338.389 3.317 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](CCC)CC(C)C)c1nccn12 ZINC001101652980 1364674988 /nfs/dbraw/zinc/67/49/88/1364674988.db2.gz XJFMRTHYNYXZBS-SJORKVTESA-N 1 2 344.503 3.103 20 30 EGEDLO Cc1cc(N(CCCNC(=O)C#CC(C)C)C(C)C)nc(C(C)C)[nH+]1 ZINC001102099570 1364855375 /nfs/dbraw/zinc/85/53/75/1364855375.db2.gz LKEBUGZPLRNZTM-UHFFFAOYSA-N 1 2 344.503 3.289 20 30 EGEDLO C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]c(C(C)C)n1 ZINC001102185969 1364922785 /nfs/dbraw/zinc/92/27/85/1364922785.db2.gz CHQXTNDXAWELEH-IYBDPMFKSA-N 1 2 328.460 3.054 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nc(C)[nH+]c(C)c1C ZINC001102204789 1364932437 /nfs/dbraw/zinc/93/24/37/1364932437.db2.gz WDWZQFGBFKPGGW-DOPJRALCSA-N 1 2 342.487 3.184 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102752621 1365201996 /nfs/dbraw/zinc/20/19/96/1365201996.db2.gz KXHCRJPVEUARFV-DYVFJYSZSA-N 1 2 330.476 3.041 20 30 EGEDLO C=CCCC(=O)N(CC)[C@@H]1CCN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC001102781853 1365215773 /nfs/dbraw/zinc/21/57/73/1365215773.db2.gz ODVLPTPDEKUUAZ-MRXNPFEDSA-N 1 2 342.487 3.057 20 30 EGEDLO C=C(C)CCC(=O)N(CC)[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102817711 1365233449 /nfs/dbraw/zinc/23/34/49/1365233449.db2.gz ILWRFLSGMFGHGY-QGZVFWFLSA-N 1 2 330.476 3.185 20 30 EGEDLO C=CCC(CC=C)C(=O)NCC[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001102932017 1365298565 /nfs/dbraw/zinc/29/85/65/1365298565.db2.gz LXCLXYNMBDUSMW-KRWDZBQOSA-N 1 2 342.487 3.276 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCC[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001102942848 1365307547 /nfs/dbraw/zinc/30/75/47/1365307547.db2.gz GNZZBQLEYWKOKF-IRXDYDNUSA-N 1 2 330.476 3.110 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccc3nc[nH]c32)C1 ZINC001103562184 1365638039 /nfs/dbraw/zinc/63/80/39/1365638039.db2.gz NVXDUVXJMSTXOH-TZMCWYRMSA-N 1 2 346.862 3.003 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccc3nc[nH]c32)C1 ZINC001103562184 1365638041 /nfs/dbraw/zinc/63/80/41/1365638041.db2.gz NVXDUVXJMSTXOH-TZMCWYRMSA-N 1 2 346.862 3.003 20 30 EGEDLO CC#CCCCC(=O)N1CCC[C@@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001103616869 1365680644 /nfs/dbraw/zinc/68/06/44/1365680644.db2.gz XJWRGFBEGLLLJI-KRWDZBQOSA-N 1 2 328.460 3.019 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001103616913 1365680880 /nfs/dbraw/zinc/68/08/80/1365680880.db2.gz YTTZYAGTKWLQJB-INIZCTEOSA-N 1 2 330.476 3.428 20 30 EGEDLO Cc1cc(N2CCC[C@@H]2CCNC(=O)C#CC(C)C)nc(C(C)C)[nH+]1 ZINC001103738238 1365757235 /nfs/dbraw/zinc/75/72/35/1365757235.db2.gz FCMBQIKMRWIUFB-QGZVFWFLSA-N 1 2 342.487 3.043 20 30 EGEDLO C#CCCCCC(=O)NC[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001103924294 1365836034 /nfs/dbraw/zinc/83/60/34/1365836034.db2.gz HQQKFGJZHFWPCB-HNNXBMFYSA-N 1 2 342.487 3.022 20 30 EGEDLO C#CCCCCC(=O)N(C)[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104522194 1366061126 /nfs/dbraw/zinc/06/11/26/1366061126.db2.gz ZOQZXYSJAMRHRM-OAHLLOKOSA-N 1 2 342.487 3.116 20 30 EGEDLO C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(F)(F)C(F)F)C1 ZINC001104607537 1366099443 /nfs/dbraw/zinc/09/94/43/1366099443.db2.gz YWAIRKPGEGNPKM-CHWSQXEVSA-N 1 2 338.389 3.317 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C1CCCCC1 ZINC001105022349 1366281256 /nfs/dbraw/zinc/28/12/56/1366281256.db2.gz VYABKGPVAXHSJH-INIZCTEOSA-N 1 2 330.476 3.474 20 30 EGEDLO CC#CCCCC(=O)N[C@H](CNc1cc[nH+]c(C)n1)C1CCCCC1 ZINC001105023822 1366282366 /nfs/dbraw/zinc/28/23/66/1366282366.db2.gz FIPNUBDDZKVYDN-GOSISDBHSA-N 1 2 342.487 3.456 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@@H](C)C1 ZINC001105052679 1366294590 /nfs/dbraw/zinc/29/45/90/1366294590.db2.gz SFLJUMRMUWWQLP-WMLDXEAASA-N 1 2 328.460 3.202 20 30 EGEDLO C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C(F)C(F)(F)F)CCC1 ZINC001105539716 1366518888 /nfs/dbraw/zinc/51/88/88/1366518888.db2.gz NYSDHCOCSKHTSO-KGLIPLIRSA-N 1 2 348.384 3.051 20 30 EGEDLO C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H](F)C(F)(F)F)CCC1 ZINC001105539716 1366518890 /nfs/dbraw/zinc/51/88/90/1366518890.db2.gz NYSDHCOCSKHTSO-KGLIPLIRSA-N 1 2 348.384 3.051 20 30 EGEDLO C#CCCCCC(=O)NC/C=C/CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001107161835 1366883213 /nfs/dbraw/zinc/88/32/13/1366883213.db2.gz BDGPIYFQWUAXNG-MDZDMXLPSA-N 1 2 328.460 3.186 20 30 EGEDLO C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)C(F)C(F)(F)F)CCC[C@@H]12 ZINC001107414760 1366957353 /nfs/dbraw/zinc/95/73/53/1366957353.db2.gz RZNKWAOIDAFYSV-UMVBOHGHSA-N 1 2 336.373 3.214 20 30 EGEDLO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)C(F)C(F)(F)F)CCC[C@@H]12 ZINC001107414760 1366957356 /nfs/dbraw/zinc/95/73/56/1366957356.db2.gz RZNKWAOIDAFYSV-UMVBOHGHSA-N 1 2 336.373 3.214 20 30 EGEDLO C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](F)C(F)(F)F)CCC[C@@H]12 ZINC001107414760 1366957360 /nfs/dbraw/zinc/95/73/60/1366957360.db2.gz RZNKWAOIDAFYSV-UMVBOHGHSA-N 1 2 336.373 3.214 20 30 EGEDLO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](F)C(F)(F)F)CCC[C@@H]12 ZINC001107414760 1366957364 /nfs/dbraw/zinc/95/73/64/1366957364.db2.gz RZNKWAOIDAFYSV-UMVBOHGHSA-N 1 2 336.373 3.214 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NC/C=C/CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001107456801 1366970345 /nfs/dbraw/zinc/97/03/45/1366970345.db2.gz VKALEOXTASNNPR-FNHJVCLDSA-N 1 2 330.476 3.451 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnc(Cl)c1 ZINC001109166344 1366984231 /nfs/dbraw/zinc/98/42/31/1366984231.db2.gz NETXVPSFFPABTR-IKGGRYGDSA-N 1 2 345.874 3.150 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnc(Cl)c1 ZINC001109166344 1366984234 /nfs/dbraw/zinc/98/42/34/1366984234.db2.gz NETXVPSFFPABTR-IKGGRYGDSA-N 1 2 345.874 3.150 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]([N@H+](C)Cc2csc(-c3ccco3)n2)C1 ZINC001189327219 1366991654 /nfs/dbraw/zinc/99/16/54/1366991654.db2.gz LUKQFBFJBOOTEB-HNNXBMFYSA-N 1 2 345.468 3.402 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2csc(-c3ccco3)n2)C1 ZINC001189327219 1366991659 /nfs/dbraw/zinc/99/16/59/1366991659.db2.gz LUKQFBFJBOOTEB-HNNXBMFYSA-N 1 2 345.468 3.402 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H](C)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001109265921 1367033572 /nfs/dbraw/zinc/03/35/72/1367033572.db2.gz YNXSLUHYLGMLDS-OAHLLOKOSA-N 1 2 332.492 3.452 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)sc1C ZINC001109350747 1367081503 /nfs/dbraw/zinc/08/15/03/1367081503.db2.gz CTJSELCULNWHFI-VYDXJSESSA-N 1 2 333.501 3.338 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)sc1C ZINC001109350747 1367081507 /nfs/dbraw/zinc/08/15/07/1367081507.db2.gz CTJSELCULNWHFI-VYDXJSESSA-N 1 2 333.501 3.338 20 30 EGEDLO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C(C)(C)C ZINC001109451498 1367130555 /nfs/dbraw/zinc/13/05/55/1367130555.db2.gz PUIZGIPTOGUTQO-OAOYMFHYSA-N 1 2 339.483 3.462 20 30 EGEDLO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C(C)(C)C ZINC001109451498 1367130562 /nfs/dbraw/zinc/13/05/62/1367130562.db2.gz PUIZGIPTOGUTQO-OAOYMFHYSA-N 1 2 339.483 3.462 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(CCCC)cc2)C1 ZINC001108059468 1367260984 /nfs/dbraw/zinc/26/09/84/1367260984.db2.gz MHHRUWXCSHTTEP-FQEVSTJZSA-N 1 2 330.472 3.036 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(CCCC)cc2)C1 ZINC001108059468 1367260991 /nfs/dbraw/zinc/26/09/91/1367260991.db2.gz MHHRUWXCSHTTEP-FQEVSTJZSA-N 1 2 330.472 3.036 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001109678783 1367277510 /nfs/dbraw/zinc/27/75/10/1367277510.db2.gz HPSINNXIOWWYOS-WXSAJPJJSA-N 1 2 331.460 3.115 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001109678783 1367277517 /nfs/dbraw/zinc/27/75/17/1367277517.db2.gz HPSINNXIOWWYOS-WXSAJPJJSA-N 1 2 331.460 3.115 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001109683220 1367280448 /nfs/dbraw/zinc/28/04/48/1367280448.db2.gz BXNAOWQQIAVWAG-LDDOYCOJSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001109683220 1367280451 /nfs/dbraw/zinc/28/04/51/1367280451.db2.gz BXNAOWQQIAVWAG-LDDOYCOJSA-N 1 2 333.501 3.275 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)CC2CCCCC2)C1 ZINC001108255660 1367365874 /nfs/dbraw/zinc/36/58/74/1367365874.db2.gz IZIXPVPNQSEYEU-ICSRJNTNSA-N 1 2 336.520 3.376 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)CC2CCCCC2)C1 ZINC001108255660 1367365882 /nfs/dbraw/zinc/36/58/82/1367365882.db2.gz IZIXPVPNQSEYEU-ICSRJNTNSA-N 1 2 336.520 3.376 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H](C)CCCCCC)C1 ZINC001108336444 1367395862 /nfs/dbraw/zinc/39/58/62/1367395862.db2.gz CYEXUPNPCUYVFY-QUCCMNQESA-N 1 2 336.520 3.213 20 30 EGEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H](C)CCCCCC)C1 ZINC001108336444 1367395867 /nfs/dbraw/zinc/39/58/67/1367395867.db2.gz CYEXUPNPCUYVFY-QUCCMNQESA-N 1 2 336.520 3.213 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@H](CC)C1 ZINC001110033833 1367472406 /nfs/dbraw/zinc/47/24/06/1367472406.db2.gz QOVBCTUMMSJRPI-CVEARBPZSA-N 1 2 330.476 3.426 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@@H](CC)C1 ZINC001110033834 1367472615 /nfs/dbraw/zinc/47/26/15/1367472615.db2.gz QOVBCTUMMSJRPI-HOTGVXAUSA-N 1 2 330.476 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccccc1F)C2 ZINC001110090542 1367499152 /nfs/dbraw/zinc/49/91/52/1367499152.db2.gz ONJMXBAJSZOBAA-PVAVHDDUSA-N 1 2 336.838 3.232 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccccc1F)C2 ZINC001110090542 1367499155 /nfs/dbraw/zinc/49/91/55/1367499155.db2.gz ONJMXBAJSZOBAA-PVAVHDDUSA-N 1 2 336.838 3.232 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCOCc1ccccc1)C2 ZINC001110116259 1367508841 /nfs/dbraw/zinc/50/88/41/1367508841.db2.gz AWSMVKKNLMUPRI-SQNIBIBYSA-N 1 2 348.874 3.067 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCOCc1ccccc1)C2 ZINC001110116259 1367508848 /nfs/dbraw/zinc/50/88/48/1367508848.db2.gz AWSMVKKNLMUPRI-SQNIBIBYSA-N 1 2 348.874 3.067 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2c(F)cccc2F)C1 ZINC001191838386 1367608526 /nfs/dbraw/zinc/60/85/26/1367608526.db2.gz JROOSMARTRBDJN-HNNXBMFYSA-N 1 2 334.410 3.191 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2c(F)cccc2F)C1 ZINC001191838386 1367608529 /nfs/dbraw/zinc/60/85/29/1367608529.db2.gz JROOSMARTRBDJN-HNNXBMFYSA-N 1 2 334.410 3.191 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C(C)(C)C)on2)C1 ZINC001191838969 1367609114 /nfs/dbraw/zinc/60/91/14/1367609114.db2.gz MYCCLQZGXAVSEZ-QGZVFWFLSA-N 1 2 345.487 3.198 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C(C)(C)C)on2)C1 ZINC001191838969 1367609116 /nfs/dbraw/zinc/60/91/16/1367609116.db2.gz MYCCLQZGXAVSEZ-QGZVFWFLSA-N 1 2 345.487 3.198 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC001191889246 1367626084 /nfs/dbraw/zinc/62/60/84/1367626084.db2.gz CLYJCYCYHIVXMR-FUHWJXTLSA-N 1 2 332.492 3.099 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC001191889246 1367626088 /nfs/dbraw/zinc/62/60/88/1367626088.db2.gz CLYJCYCYHIVXMR-FUHWJXTLSA-N 1 2 332.492 3.099 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)CCC)C1 ZINC001192084644 1367683809 /nfs/dbraw/zinc/68/38/09/1367683809.db2.gz XLVKEHKCVGCEIL-CYBMUJFWSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)CCC)C1 ZINC001192084644 1367683814 /nfs/dbraw/zinc/68/38/14/1367683814.db2.gz XLVKEHKCVGCEIL-CYBMUJFWSA-N 1 2 331.298 3.254 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3csc(CC)n3)C2)CCC1 ZINC001192189968 1367712209 /nfs/dbraw/zinc/71/22/09/1367712209.db2.gz KUHCBBJWLGMTAM-MRXNPFEDSA-N 1 2 347.528 3.485 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3csc(CC)n3)C2)CCC1 ZINC001192189968 1367712217 /nfs/dbraw/zinc/71/22/17/1367712217.db2.gz KUHCBBJWLGMTAM-MRXNPFEDSA-N 1 2 347.528 3.485 20 30 EGEDLO C=CCC1(C(=O)N[C@H](C)CN(C)c2nc(C)[nH+]c(C)c2C)CCCC1 ZINC001109004255 1367714343 /nfs/dbraw/zinc/71/43/43/1367714343.db2.gz RXHJIBSQEKUEIT-CQSZACIVSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@]2(C1)CCCN(c1cc[nH+]c(C)n1)C2 ZINC001110459008 1367747798 /nfs/dbraw/zinc/74/77/98/1367747798.db2.gz VKFWOKLNYONSDV-YLJYHZDGSA-N 1 2 342.487 3.206 20 30 EGEDLO C#CCCCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001110513431 1367796094 /nfs/dbraw/zinc/79/60/94/1367796094.db2.gz WXOMZPZJKBFFIA-NVXWUHKLSA-N 1 2 340.471 3.257 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001110595337 1367855625 /nfs/dbraw/zinc/85/56/25/1367855625.db2.gz LVOBUYJGLAEPNL-ZACQAIPSSA-N 1 2 345.512 3.441 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001110595337 1367855636 /nfs/dbraw/zinc/85/56/36/1367855636.db2.gz LVOBUYJGLAEPNL-ZACQAIPSSA-N 1 2 345.512 3.441 20 30 EGEDLO C=CCC(CC=C)C(=O)NC1(C)CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110598473 1367859942 /nfs/dbraw/zinc/85/99/42/1367859942.db2.gz WSKHGWTYRHEXBW-UHFFFAOYSA-N 1 2 328.460 3.029 20 30 EGEDLO C=C(C)CCC(=O)NC1(C)CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001110600472 1367862580 /nfs/dbraw/zinc/86/25/80/1367862580.db2.gz IGOHPHWODNLWKH-UHFFFAOYSA-N 1 2 342.487 3.494 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc2ccccc2o1 ZINC001110607376 1367869543 /nfs/dbraw/zinc/86/95/43/1367869543.db2.gz RFPZLNHZUHUKNE-OIISXLGYSA-N 1 2 339.439 3.406 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc2ccccc2o1 ZINC001110607376 1367869547 /nfs/dbraw/zinc/86/95/47/1367869547.db2.gz RFPZLNHZUHUKNE-OIISXLGYSA-N 1 2 339.439 3.406 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)nc1 ZINC001110607252 1367869930 /nfs/dbraw/zinc/86/99/30/1367869930.db2.gz LJYOJIFXKFUMMY-OAGGEKHMSA-N 1 2 333.863 3.313 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)nc1 ZINC001110607252 1367869936 /nfs/dbraw/zinc/86/99/36/1367869936.db2.gz LJYOJIFXKFUMMY-OAGGEKHMSA-N 1 2 333.863 3.313 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110608376 1367870986 /nfs/dbraw/zinc/87/09/86/1367870986.db2.gz LALZAFOXNOCPLN-QRQLOZEOSA-N 1 2 341.430 3.275 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110608376 1367870991 /nfs/dbraw/zinc/87/09/91/1367870991.db2.gz LALZAFOXNOCPLN-QRQLOZEOSA-N 1 2 341.430 3.275 20 30 EGEDLO Cc1cc(N2CC[C@](C)(NC(=O)C#CC(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC001110753962 1367961709 /nfs/dbraw/zinc/96/17/09/1367961709.db2.gz SXQHOJPGOCQGOG-FQEVSTJZSA-N 1 2 342.487 3.043 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)CCC2(C)CC2)C1 ZINC001193257126 1367980956 /nfs/dbraw/zinc/98/09/56/1367980956.db2.gz HHWSKTSJTQDZOH-GOSISDBHSA-N 1 2 343.446 3.310 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)CCC2(C)CC2)C1 ZINC001193257126 1367980960 /nfs/dbraw/zinc/98/09/60/1367980960.db2.gz HHWSKTSJTQDZOH-GOSISDBHSA-N 1 2 343.446 3.310 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@]1(C)CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001110786261 1367985700 /nfs/dbraw/zinc/98/57/00/1367985700.db2.gz QHALLQQLLWETTB-HXUWFJFHSA-N 1 2 342.487 3.255 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@]1(C)CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001110789733 1367988871 /nfs/dbraw/zinc/98/88/71/1367988871.db2.gz HXSROOSKDYCTGH-HXUWFJFHSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C2CC2)no1 ZINC001110892174 1368067074 /nfs/dbraw/zinc/06/70/74/1368067074.db2.gz PIGHKVACVMLRHR-OLMNPRSZSA-N 1 2 343.471 3.376 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C2CC2)no1 ZINC001110892174 1368067080 /nfs/dbraw/zinc/06/70/80/1368067080.db2.gz PIGHKVACVMLRHR-OLMNPRSZSA-N 1 2 343.471 3.376 20 30 EGEDLO CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)CC1 ZINC001110993093 1368137831 /nfs/dbraw/zinc/13/78/31/1368137831.db2.gz MCHPSSAHUSYNCS-NXHRZFHOSA-N 1 2 341.430 3.109 20 30 EGEDLO CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)CC1 ZINC001110993093 1368137838 /nfs/dbraw/zinc/13/78/38/1368137838.db2.gz MCHPSSAHUSYNCS-NXHRZFHOSA-N 1 2 341.430 3.109 20 30 EGEDLO CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)CC1 ZINC001110993202 1368138237 /nfs/dbraw/zinc/13/82/37/1368138237.db2.gz QYJLMBXDWASYQS-NXHRZFHOSA-N 1 2 341.430 3.109 20 30 EGEDLO CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)CC1 ZINC001110993202 1368138242 /nfs/dbraw/zinc/13/82/42/1368138242.db2.gz QYJLMBXDWASYQS-NXHRZFHOSA-N 1 2 341.430 3.109 20 30 EGEDLO Cc1cc(N[C@@H](C)[C@H]2CCN(C(=O)C#CC(C)C)C2)nc(C(C)C)[nH+]1 ZINC001111216066 1368194493 /nfs/dbraw/zinc/19/44/93/1368194493.db2.gz NHNNFKLNYRVIBL-IRXDYDNUSA-N 1 2 342.487 3.217 20 30 EGEDLO C=CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccon2)C1)c1ccccc1 ZINC001194173750 1368198112 /nfs/dbraw/zinc/19/81/12/1368198112.db2.gz DHLLUVGJRRCLOF-RBUKOAKNSA-N 1 2 339.439 3.067 20 30 EGEDLO C=CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccon2)C1)c1ccccc1 ZINC001194173750 1368198116 /nfs/dbraw/zinc/19/81/16/1368198116.db2.gz DHLLUVGJRRCLOF-RBUKOAKNSA-N 1 2 339.439 3.067 20 30 EGEDLO C=CCOC(=O)NCc1c[nH+]cn1Cc1ccccc1C(F)(F)F ZINC001194343494 1368238883 /nfs/dbraw/zinc/23/88/83/1368238883.db2.gz WJLSPQOVVBGRJF-UHFFFAOYSA-N 1 2 339.317 3.362 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@](C)(OC)c1ccccc1)C2 ZINC001111285160 1368253225 /nfs/dbraw/zinc/25/32/25/1368253225.db2.gz DRANAPZIHASLEU-VXNCWWDNSA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@](C)(OC)c1ccccc1)C2 ZINC001111285160 1368253230 /nfs/dbraw/zinc/25/32/30/1368253230.db2.gz DRANAPZIHASLEU-VXNCWWDNSA-N 1 2 348.874 3.022 20 30 EGEDLO C=CCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cc(C)[nH+]c(C(C)C)n1 ZINC001111381169 1368277253 /nfs/dbraw/zinc/27/72/53/1368277253.db2.gz DFWAFGFSYGKLOA-SJORKVTESA-N 1 2 342.487 3.444 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)[C@H](C)c3nnc(C)o3)C2)CCCC1 ZINC001194569408 1368288426 /nfs/dbraw/zinc/28/84/26/1368288426.db2.gz ZJUZIXGQNSLYIK-ZBFHGGJFSA-N 1 2 346.475 3.108 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)[C@H](C)c3nnc(C)o3)C2)CCCC1 ZINC001194569408 1368288428 /nfs/dbraw/zinc/28/84/28/1368288428.db2.gz ZJUZIXGQNSLYIK-ZBFHGGJFSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CCC(C)CC1)C2 ZINC001111501487 1368321923 /nfs/dbraw/zinc/32/19/23/1368321923.db2.gz HSUYMEZSZCCGLK-IEMTVISKSA-N 1 2 340.895 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CCC(C)CC1)C2 ZINC001111501487 1368321930 /nfs/dbraw/zinc/32/19/30/1368321930.db2.gz HSUYMEZSZCCGLK-IEMTVISKSA-N 1 2 340.895 3.056 20 30 EGEDLO C=CCCOc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC001195131465 1368385119 /nfs/dbraw/zinc/38/51/19/1368385119.db2.gz PKZRIDZVOQQOHS-MRXNPFEDSA-N 1 2 325.412 3.384 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[N@H+](Cc2ccncc2Cl)CC1 ZINC001195990432 1368530803 /nfs/dbraw/zinc/53/08/03/1368530803.db2.gz SSHCMYCHIMGMGW-UHFFFAOYSA-N 1 2 335.879 3.372 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[N@@H+](Cc2ccncc2Cl)CC1 ZINC001195990432 1368530806 /nfs/dbraw/zinc/53/08/06/1368530806.db2.gz SSHCMYCHIMGMGW-UHFFFAOYSA-N 1 2 335.879 3.372 20 30 EGEDLO C=C1CC(C)(C(=O)NCC2(Nc3cc(C)[nH+]c(C4CC4)n3)CCC2)C1 ZINC001111898687 1368542865 /nfs/dbraw/zinc/54/28/65/1368542865.db2.gz NKLDDURZQMBDEV-UHFFFAOYSA-N 1 2 340.471 3.470 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001112009040 1368612852 /nfs/dbraw/zinc/61/28/52/1368612852.db2.gz SARHJWFWVDWQMS-ROUUACIJSA-N 1 2 344.503 3.479 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[N@H+](Cc2cc(C3CC3)no2)CC1 ZINC001196770332 1368681268 /nfs/dbraw/zinc/68/12/68/1368681268.db2.gz OMGOWSUXVYXRCI-UHFFFAOYSA-N 1 2 343.471 3.170 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[N@@H+](Cc2cc(C3CC3)no2)CC1 ZINC001196770332 1368681273 /nfs/dbraw/zinc/68/12/73/1368681273.db2.gz OMGOWSUXVYXRCI-UHFFFAOYSA-N 1 2 343.471 3.170 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001196853101 1368698488 /nfs/dbraw/zinc/69/84/88/1368698488.db2.gz GZSMEOWBUMDUBD-HOTGVXAUSA-N 1 2 343.446 3.190 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001196853101 1368698492 /nfs/dbraw/zinc/69/84/92/1368698492.db2.gz GZSMEOWBUMDUBD-HOTGVXAUSA-N 1 2 343.446 3.190 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001196853773 1368699962 /nfs/dbraw/zinc/69/99/62/1368699962.db2.gz LYWYUOZHVBDQTJ-JKSUJKDBSA-N 1 2 343.446 3.190 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001196853773 1368699967 /nfs/dbraw/zinc/69/99/67/1368699967.db2.gz LYWYUOZHVBDQTJ-JKSUJKDBSA-N 1 2 343.446 3.190 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@H+](Cc2cc(C3CC3)no2)CC1 ZINC001196881085 1368705608 /nfs/dbraw/zinc/70/56/08/1368705608.db2.gz PJBMMTHJVHKMGT-OAHLLOKOSA-N 1 2 331.460 3.189 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+](Cc2cc(C3CC3)no2)CC1 ZINC001196881085 1368705610 /nfs/dbraw/zinc/70/56/10/1368705610.db2.gz PJBMMTHJVHKMGT-OAHLLOKOSA-N 1 2 331.460 3.189 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@@H+](Cc3ccc(F)cn3)CC2)CCC1 ZINC001197055160 1368736873 /nfs/dbraw/zinc/73/68/73/1368736873.db2.gz KLXWLTJCDJKJEF-UHFFFAOYSA-N 1 2 331.435 3.001 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@H+](Cc3ccc(F)cn3)CC2)CCC1 ZINC001197055160 1368736883 /nfs/dbraw/zinc/73/68/83/1368736883.db2.gz KLXWLTJCDJKJEF-UHFFFAOYSA-N 1 2 331.435 3.001 20 30 EGEDLO C=CCCC1(C(=O)N2CCC[N@@H+](Cc3ccc(F)cn3)CC2)CC1 ZINC001197055501 1368736970 /nfs/dbraw/zinc/73/69/70/1368736970.db2.gz SFDUEISPOKHVPS-UHFFFAOYSA-N 1 2 331.435 3.001 20 30 EGEDLO C=CCCC1(C(=O)N2CCC[N@H+](Cc3ccc(F)cn3)CC2)CC1 ZINC001197055501 1368736973 /nfs/dbraw/zinc/73/69/73/1368736973.db2.gz SFDUEISPOKHVPS-UHFFFAOYSA-N 1 2 331.435 3.001 20 30 EGEDLO C=CCCC1(C(=O)N2CCC[N@H+](Cc3ccccc3C#N)CC2)CC1 ZINC001197062779 1368738856 /nfs/dbraw/zinc/73/88/56/1368738856.db2.gz XVPUGKRIDKEQEX-UHFFFAOYSA-N 1 2 337.467 3.339 20 30 EGEDLO C=CCCC1(C(=O)N2CCC[N@@H+](Cc3ccccc3C#N)CC2)CC1 ZINC001197062779 1368738860 /nfs/dbraw/zinc/73/88/60/1368738860.db2.gz XVPUGKRIDKEQEX-UHFFFAOYSA-N 1 2 337.467 3.339 20 30 EGEDLO CCc1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)ccc1C#N ZINC001197292272 1368781710 /nfs/dbraw/zinc/78/17/10/1368781710.db2.gz IJEOLZLSVSXBOM-KRWDZBQOSA-N 1 2 347.409 3.066 20 30 EGEDLO CC1(CCC(=O)N2CCC[N@H+](CC#Cc3ccc(F)cc3)CC2)CC1 ZINC001197668575 1368868577 /nfs/dbraw/zinc/86/85/77/1368868577.db2.gz AQPJSABMALITRR-UHFFFAOYSA-N 1 2 342.458 3.292 20 30 EGEDLO CC1(CCC(=O)N2CCC[N@@H+](CC#Cc3ccc(F)cc3)CC2)CC1 ZINC001197668575 1368868580 /nfs/dbraw/zinc/86/85/80/1368868580.db2.gz AQPJSABMALITRR-UHFFFAOYSA-N 1 2 342.458 3.292 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCN(c2nc(C)[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC001112476561 1368875593 /nfs/dbraw/zinc/87/55/93/1368875593.db2.gz KSTSXQYGSCCDDQ-HOCLYGCPSA-N 1 2 342.487 3.104 20 30 EGEDLO CCC(C)(C)CC(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001112885315 1369069248 /nfs/dbraw/zinc/06/92/48/1369069248.db2.gz RFUIAJDRUKYXEB-UHFFFAOYSA-N 1 2 343.471 3.059 20 30 EGEDLO C#CCC1(C(=O)N2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)CCC1 ZINC001112953022 1369107003 /nfs/dbraw/zinc/10/70/03/1369107003.db2.gz AMZUPUNDQUOTPZ-UHFFFAOYSA-N 1 2 346.421 3.462 20 30 EGEDLO C#CCCCCC(=O)N[C@@H](C)[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001112973902 1369118370 /nfs/dbraw/zinc/11/83/70/1369118370.db2.gz QRJZTNMENMRSOU-LSDHHAIUSA-N 1 2 342.487 3.163 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H](C)C(C)C)c1ccccc1OC ZINC001198925422 1369151044 /nfs/dbraw/zinc/15/10/44/1369151044.db2.gz UKMWIQBGEUXXPO-HOCLYGCPSA-N 1 2 338.879 3.487 20 30 EGEDLO C#CCC1(C(=O)N[C@H](C)[C@@H](C)Nc2cc[nH+]c(C)n2)CCCCC1 ZINC001113079738 1369186702 /nfs/dbraw/zinc/18/67/02/1369186702.db2.gz PBDHJVBIJYOJRT-HUUCEWRRSA-N 1 2 328.460 3.064 20 30 EGEDLO C=CCC[C@@H](C)[NH+]1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 ZINC001113081146 1369187871 /nfs/dbraw/zinc/18/78/71/1369187871.db2.gz RRRAAJSFXVZBQK-MRXNPFEDSA-N 1 2 338.455 3.189 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC001113158835 1369233989 /nfs/dbraw/zinc/23/39/89/1369233989.db2.gz NKKUROMYNMSBLZ-JXFKEZNVSA-N 1 2 348.462 3.260 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H](C)[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001113255818 1369295119 /nfs/dbraw/zinc/29/51/19/1369295119.db2.gz MVPKLKJOFMXZKA-QWHCGFSZSA-N 1 2 330.476 3.181 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](CCOc3cccc(C)c3)CC2)CCC1 ZINC001113310492 1369336965 /nfs/dbraw/zinc/33/69/65/1369336965.db2.gz GYZYSNZUUSVGMA-UHFFFAOYSA-N 1 2 342.483 3.264 20 30 EGEDLO C=C[C@@H](CC(=O)N1CC[NH+](CCOCC(C)C)CC1)c1ccccc1 ZINC001113667310 1369555034 /nfs/dbraw/zinc/55/50/34/1369555034.db2.gz YQLYTYRYDQZTRA-IBGZPJMESA-N 1 2 344.499 3.163 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001113821417 1369622947 /nfs/dbraw/zinc/62/29/47/1369622947.db2.gz CCYTWVQSICAJNC-GDBMZVCRSA-N 1 2 332.492 3.452 20 30 EGEDLO CC(C)(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001113875566 1369642759 /nfs/dbraw/zinc/64/27/59/1369642759.db2.gz BOSDPUBRDXVDPX-MNZLEMJZSA-N 1 2 344.886 3.174 20 30 EGEDLO CC(C)(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001113875566 1369642766 /nfs/dbraw/zinc/64/27/66/1369642766.db2.gz BOSDPUBRDXVDPX-MNZLEMJZSA-N 1 2 344.886 3.174 20 30 EGEDLO CCCCCC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001186872400 1388018882 /nfs/dbraw/zinc/01/88/82/1388018882.db2.gz INXODLDUQXIKPC-QFBILLFUSA-N 1 2 343.446 3.310 20 30 EGEDLO CCCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001186872400 1388018888 /nfs/dbraw/zinc/01/88/88/1388018888.db2.gz INXODLDUQXIKPC-QFBILLFUSA-N 1 2 343.446 3.310 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)CC[C@H]1C ZINC001114040173 1369698298 /nfs/dbraw/zinc/69/82/98/1369698298.db2.gz SRAWPJJINWVECC-CXAGYDPISA-N 1 2 330.476 3.089 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)CC[C@@H]1C ZINC001114052579 1369705830 /nfs/dbraw/zinc/70/58/30/1369705830.db2.gz MZQDOHRRSQNAEA-HOCLYGCPSA-N 1 2 344.503 3.452 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CN(c2nc(C)[nH+]c(C)c2C)CC[C@@H]1C ZINC001114054379 1369707209 /nfs/dbraw/zinc/70/72/09/1369707209.db2.gz BREFBUQSNQOILR-GUYCJALGSA-N 1 2 344.503 3.335 20 30 EGEDLO CCC[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001114080944 1369722719 /nfs/dbraw/zinc/72/27/19/1369722719.db2.gz VNMOGOSSBRMDPW-NWGLXNPWSA-N 1 2 344.886 3.174 20 30 EGEDLO CCC[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001114080944 1369722721 /nfs/dbraw/zinc/72/27/21/1369722721.db2.gz VNMOGOSSBRMDPW-NWGLXNPWSA-N 1 2 344.886 3.174 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NC1[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@@H]12 ZINC001114336762 1369898874 /nfs/dbraw/zinc/89/88/74/1369898874.db2.gz VHECXDAUDMLPEK-FMRNMKQDSA-N 1 2 337.678 3.131 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NC1[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@@H]12 ZINC001114336762 1369898879 /nfs/dbraw/zinc/89/88/79/1369898879.db2.gz VHECXDAUDMLPEK-FMRNMKQDSA-N 1 2 337.678 3.131 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)CC1(C)C ZINC001114431716 1369941320 /nfs/dbraw/zinc/94/13/20/1369941320.db2.gz YVZWSBIXOABMAP-OAHLLOKOSA-N 1 2 330.476 3.206 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]2C1 ZINC001114660033 1370012271 /nfs/dbraw/zinc/01/22/71/1370012271.db2.gz KPALEYIPKVKQJK-GVDBMIGSSA-N 1 2 342.487 3.108 20 30 EGEDLO C#CCCCC(=O)N1C[C@@H](CNc2cc(C)[nH+]c(C3CC3)n2)C[C@@H]1C ZINC001114685031 1370024368 /nfs/dbraw/zinc/02/43/68/1370024368.db2.gz NHGGKIFLWWBPSC-JKSUJKDBSA-N 1 2 340.471 3.115 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(C(C)(C)C)on3)C[C@H]21 ZINC001114722554 1370045959 /nfs/dbraw/zinc/04/59/59/1370045959.db2.gz JLJUNOYCDXLNSO-KBEGMRNHSA-N 1 2 345.487 3.121 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(C(C)(C)C)on3)C[C@H]21 ZINC001114722554 1370045962 /nfs/dbraw/zinc/04/59/62/1370045962.db2.gz JLJUNOYCDXLNSO-KBEGMRNHSA-N 1 2 345.487 3.121 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(C(C)(C)C)on3)C[C@H]21 ZINC001114791804 1370082980 /nfs/dbraw/zinc/08/29/80/1370082980.db2.gz KJVNTWIBXZGYDB-TXDAXLQXSA-N 1 2 345.487 3.121 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(C(C)(C)C)on3)C[C@H]21 ZINC001114791804 1370082982 /nfs/dbraw/zinc/08/29/82/1370082982.db2.gz KJVNTWIBXZGYDB-TXDAXLQXSA-N 1 2 345.487 3.121 20 30 EGEDLO C#CCCCC(=O)N[C@@H](C)CCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001114918315 1370148656 /nfs/dbraw/zinc/14/86/56/1370148656.db2.gz ZJZMNOOSQPXMTA-HNNXBMFYSA-N 1 2 342.487 3.164 20 30 EGEDLO Cc1cc(NCCC[C@@H](C)NC(=O)C#CC(C)C)nc(C2CC2)[nH+]1 ZINC001114925846 1370154440 /nfs/dbraw/zinc/15/44/40/1370154440.db2.gz AXJDAFMDUFVBEE-CQSZACIVSA-N 1 2 328.460 3.019 20 30 EGEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cccc(Cl)c1)CC2 ZINC001203799086 1370270026 /nfs/dbraw/zinc/27/00/26/1370270026.db2.gz SVVOOXOCBKHLEN-UHFFFAOYSA-N 1 2 331.847 3.334 20 30 EGEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cccc(Cl)c1)CC2 ZINC001203799086 1370270028 /nfs/dbraw/zinc/27/00/28/1370270028.db2.gz SVVOOXOCBKHLEN-UHFFFAOYSA-N 1 2 331.847 3.334 20 30 EGEDLO COc1cc(C[N@@H+]2CCc3ccc(C#N)cc3C2)cc(OC)c1OC ZINC001203841723 1370286831 /nfs/dbraw/zinc/28/68/31/1370286831.db2.gz RNUHDYCSMFDYLS-UHFFFAOYSA-N 1 2 338.407 3.142 20 30 EGEDLO COc1cc(C[N@H+]2CCc3ccc(C#N)cc3C2)cc(OC)c1OC ZINC001203841723 1370286832 /nfs/dbraw/zinc/28/68/32/1370286832.db2.gz RNUHDYCSMFDYLS-UHFFFAOYSA-N 1 2 338.407 3.142 20 30 EGEDLO Cc1cc(N[C@H](CCNC(=O)[C@@H](C)C#N)C(C)C)nc(C(C)C)[nH+]1 ZINC001115301443 1370368455 /nfs/dbraw/zinc/36/84/55/1370368455.db2.gz ZVCUEHRXZDGVPZ-DZGCQCFKSA-N 1 2 331.464 3.011 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(F)c(F)c(F)c1)C2 ZINC001204527197 1370504745 /nfs/dbraw/zinc/50/47/45/1370504745.db2.gz RXUVABOABKMPLD-KBXCAEBGSA-N 1 2 341.373 3.430 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(F)c(F)c(F)c1)C2 ZINC001204527197 1370504747 /nfs/dbraw/zinc/50/47/47/1370504747.db2.gz RXUVABOABKMPLD-KBXCAEBGSA-N 1 2 341.373 3.430 20 30 EGEDLO C=CCOCc1ncn2c1C[N@H+](Cc1ccc(F)c(OC)c1)CCC2 ZINC001204556895 1370514521 /nfs/dbraw/zinc/51/45/21/1370514521.db2.gz BJDZTBZOPVSIQW-UHFFFAOYSA-N 1 2 345.418 3.139 20 30 EGEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1ccc(F)c(OC)c1)CCC2 ZINC001204556895 1370514526 /nfs/dbraw/zinc/51/45/26/1370514526.db2.gz BJDZTBZOPVSIQW-UHFFFAOYSA-N 1 2 345.418 3.139 20 30 EGEDLO C[N@H+]1[C@@H]2C[C@@H](OCC(=O)c3ccc(-c4ccccc4)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001204816046 1370581640 /nfs/dbraw/zinc/58/16/40/1370581640.db2.gz OBOKTJVDIVFRBI-KMUFNYILSA-N 1 2 349.430 3.165 20 30 EGEDLO C[N@@H+]1[C@@H]2C[C@@H](OCC(=O)c3ccc(-c4ccccc4)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001204816046 1370581645 /nfs/dbraw/zinc/58/16/45/1370581645.db2.gz OBOKTJVDIVFRBI-KMUFNYILSA-N 1 2 349.430 3.165 20 30 EGEDLO N#CCc1nn(-c2ccccc2)c(Nc2ccn3cc[nH+]c3c2)c1C#N ZINC001204972305 1370617982 /nfs/dbraw/zinc/61/79/82/1370617982.db2.gz YZVYWRXRFVUDKQ-UHFFFAOYSA-N 1 2 339.362 3.201 20 30 EGEDLO C=CC[C@@H](C(=O)N(C)C[C@H](C)Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC001115742682 1370722660 /nfs/dbraw/zinc/72/26/60/1370722660.db2.gz ITLQZMGCFMZBHN-MAUKXSAKSA-N 1 2 338.455 3.404 20 30 EGEDLO N#Cc1cc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)ccc1F ZINC001116032394 1370823189 /nfs/dbraw/zinc/82/31/89/1370823189.db2.gz WDVOIHJHUQRXFE-GOSISDBHSA-N 1 2 338.386 3.086 20 30 EGEDLO N#Cc1cc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)ccc1F ZINC001116032394 1370823194 /nfs/dbraw/zinc/82/31/94/1370823194.db2.gz WDVOIHJHUQRXFE-GOSISDBHSA-N 1 2 338.386 3.086 20 30 EGEDLO N[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C(F)(F)F)c(F)c2)C1 ZINC001206221033 1370995861 /nfs/dbraw/zinc/99/58/61/1370995861.db2.gz DKJHZJMFTWFRQI-LLVKDONJSA-N 1 2 330.247 3.310 20 30 EGEDLO N[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2)C1 ZINC001206221033 1370995863 /nfs/dbraw/zinc/99/58/63/1370995863.db2.gz DKJHZJMFTWFRQI-LLVKDONJSA-N 1 2 330.247 3.310 20 30 EGEDLO N#CC1(c2ccc(-c3ccc(C[NH+]4CCOCC4)cc3F)nc2)CC1 ZINC001206671433 1371128161 /nfs/dbraw/zinc/12/81/61/1371128161.db2.gz WZEZKOJNHYQPAI-UHFFFAOYSA-N 1 2 337.398 3.275 20 30 EGEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)CCC1CC1 ZINC001206706299 1371140844 /nfs/dbraw/zinc/14/08/44/1371140844.db2.gz IFLBGCQMBYAYFL-DNVCBOLYSA-N 1 2 344.886 3.318 20 30 EGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)CCC1CC1 ZINC001206706299 1371140848 /nfs/dbraw/zinc/14/08/48/1371140848.db2.gz IFLBGCQMBYAYFL-DNVCBOLYSA-N 1 2 344.886 3.318 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)on2)C[C@H]1C ZINC001206884866 1371206261 /nfs/dbraw/zinc/20/62/61/1371206261.db2.gz IYYMADKBDDRQCQ-NVXWUHKLSA-N 1 2 345.487 3.102 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)on2)C[C@H]1C ZINC001206884866 1371206265 /nfs/dbraw/zinc/20/62/65/1371206265.db2.gz IYYMADKBDDRQCQ-NVXWUHKLSA-N 1 2 345.487 3.102 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nc(C(C)C)no2)C1 ZINC001207863374 1371523668 /nfs/dbraw/zinc/52/36/68/1371523668.db2.gz NCGHQJJXEAMYTE-HOTGVXAUSA-N 1 2 346.475 3.028 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001208396279 1371753103 /nfs/dbraw/zinc/75/31/03/1371753103.db2.gz QTCFLEXJWVJYHC-IJEWVQPXSA-N 1 2 335.517 3.244 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001208396279 1371753105 /nfs/dbraw/zinc/75/31/05/1371753105.db2.gz QTCFLEXJWVJYHC-IJEWVQPXSA-N 1 2 335.517 3.244 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)CCC)C1 ZINC001208466175 1371778034 /nfs/dbraw/zinc/77/80/34/1371778034.db2.gz AUFQHKTZDPUAFP-DGCLKSJQSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)CCC)C1 ZINC001208466175 1371778036 /nfs/dbraw/zinc/77/80/36/1371778036.db2.gz AUFQHKTZDPUAFP-DGCLKSJQSA-N 1 2 331.298 3.158 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](CC(=C)Br)C[C@H]2C)CC1 ZINC001208500494 1371788555 /nfs/dbraw/zinc/78/85/55/1371788555.db2.gz RAKRXCZKHDQILW-TZMCWYRMSA-N 1 2 341.293 3.078 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](CC(=C)Br)C[C@H]2C)CC1 ZINC001208500494 1371788558 /nfs/dbraw/zinc/78/85/58/1371788558.db2.gz RAKRXCZKHDQILW-TZMCWYRMSA-N 1 2 341.293 3.078 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001208512056 1371794317 /nfs/dbraw/zinc/79/43/17/1371794317.db2.gz UEEUKBTYFPCFEC-SZVBFZGTSA-N 1 2 332.492 3.003 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001208512056 1371794322 /nfs/dbraw/zinc/79/43/22/1371794322.db2.gz UEEUKBTYFPCFEC-SZVBFZGTSA-N 1 2 332.492 3.003 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ncc(C(C)C)o2)C[C@H]1C ZINC001208512205 1371794741 /nfs/dbraw/zinc/79/47/41/1371794741.db2.gz ZOLQUMDYNIKZIT-SPYBWZPUSA-N 1 2 333.476 3.337 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C(C)C)o2)C[C@H]1C ZINC001208512205 1371794746 /nfs/dbraw/zinc/79/47/46/1371794746.db2.gz ZOLQUMDYNIKZIT-SPYBWZPUSA-N 1 2 333.476 3.337 20 30 EGEDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+]1CCCc1ccc(C#N)cc1 ZINC001208864774 1371924655 /nfs/dbraw/zinc/92/46/55/1371924655.db2.gz SUXHKPCMUTVVSV-QGZVFWFLSA-N 1 2 329.444 3.390 20 30 EGEDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+]1CCCc1ccc(C#N)cc1 ZINC001208864774 1371924656 /nfs/dbraw/zinc/92/46/56/1371924656.db2.gz SUXHKPCMUTVVSV-QGZVFWFLSA-N 1 2 329.444 3.390 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@H+](Cc3cc(Cl)ccc3F)C[C@H]21 ZINC001187812152 1388167694 /nfs/dbraw/zinc/16/76/94/1388167694.db2.gz JGMYYUFXVNXLQF-KBXCAEBGSA-N 1 2 348.849 3.171 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3F)C[C@H]21 ZINC001187812152 1388167697 /nfs/dbraw/zinc/16/76/97/1388167697.db2.gz JGMYYUFXVNXLQF-KBXCAEBGSA-N 1 2 348.849 3.171 20 30 EGEDLO C=CCN(CC[N@@H+]1CCO[C@@](C)(c2ccc(C)cc2)C1)C(=O)OCC ZINC001209022805 1371977146 /nfs/dbraw/zinc/97/71/46/1371977146.db2.gz UQXJSGGIEHLDGG-HXUWFJFHSA-N 1 2 346.471 3.187 20 30 EGEDLO C=CCN(CC[N@H+]1CCO[C@@](C)(c2ccc(C)cc2)C1)C(=O)OCC ZINC001209022805 1371977151 /nfs/dbraw/zinc/97/71/51/1371977151.db2.gz UQXJSGGIEHLDGG-HXUWFJFHSA-N 1 2 346.471 3.187 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCc2sccc2C1 ZINC001121509850 1371995228 /nfs/dbraw/zinc/99/52/28/1371995228.db2.gz OVANUTUWNLYOOM-HNNXBMFYSA-N 1 2 343.500 3.245 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCc2sccc2C1 ZINC001121509850 1371995233 /nfs/dbraw/zinc/99/52/33/1371995233.db2.gz OVANUTUWNLYOOM-HNNXBMFYSA-N 1 2 343.500 3.245 20 30 EGEDLO C=CCCCCCN(C)c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1CC ZINC001121803958 1372086878 /nfs/dbraw/zinc/08/68/78/1372086878.db2.gz QZNKARFSLIUEQP-KRWDZBQOSA-N 1 2 349.523 3.262 20 30 EGEDLO C=CCCCCCN(C)c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1CC ZINC001121803958 1372086886 /nfs/dbraw/zinc/08/68/86/1372086886.db2.gz QZNKARFSLIUEQP-KRWDZBQOSA-N 1 2 349.523 3.262 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)CCC)C1 ZINC001209799924 1372202307 /nfs/dbraw/zinc/20/23/07/1372202307.db2.gz OMYIEXFNXZKHGI-MRVWCRGKSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)CCC)C1 ZINC001209799924 1372202309 /nfs/dbraw/zinc/20/23/09/1372202309.db2.gz OMYIEXFNXZKHGI-MRVWCRGKSA-N 1 2 331.298 3.158 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nc(C(C)C)no2)C1 ZINC001209874197 1372220055 /nfs/dbraw/zinc/22/00/55/1372220055.db2.gz HHQVXZGUTFCPPX-GJZGRUSLSA-N 1 2 348.491 3.437 20 30 EGEDLO C=CC1(CC(=O)N2CCC[C@H]([NH2+]Cc3csnn3)C2)CCCCC1 ZINC001210106933 1372272225 /nfs/dbraw/zinc/27/22/25/1372272225.db2.gz LVZMCANBKKNZII-HNNXBMFYSA-N 1 2 348.516 3.145 20 30 EGEDLO C=CC1(CC(=O)N2CCC[C@@H]([NH2+]Cc3csnn3)C2)CCCCC1 ZINC001210106937 1372272367 /nfs/dbraw/zinc/27/23/67/1372272367.db2.gz LVZMCANBKKNZII-OAHLLOKOSA-N 1 2 348.516 3.145 20 30 EGEDLO CCOC(=O)c1ccc2[nH+]ccc(Nc3cccc(OC)c3C#N)c2c1 ZINC001210122708 1372275219 /nfs/dbraw/zinc/27/52/19/1372275219.db2.gz XOKDRENTBVYIEV-UHFFFAOYSA-N 1 2 347.374 3.457 20 30 EGEDLO N#C[C@H]1C[NH2+]CCN1Cc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC001210121932 1372275676 /nfs/dbraw/zinc/27/56/76/1372275676.db2.gz OBDDXILAEMVIFM-INIZCTEOSA-N 1 2 327.815 3.430 20 30 EGEDLO N#C[C@H]1C[NH2+]CCN1Cc1c(Cl)cc(C(F)(F)F)cc1Cl ZINC001210122882 1372275801 /nfs/dbraw/zinc/27/58/01/1372275801.db2.gz UIGLCHJJKMBXGH-VIFPVBQESA-N 1 2 338.160 3.310 20 30 EGEDLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 ZINC001122567807 1372276540 /nfs/dbraw/zinc/27/65/40/1372276540.db2.gz GSDWGWWXEJDPPS-GDBMZVCRSA-N 1 2 340.452 3.254 20 30 EGEDLO CC(C)[N@H+]1CCC[C@@H]1C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 ZINC001122567807 1372276546 /nfs/dbraw/zinc/27/65/46/1372276546.db2.gz GSDWGWWXEJDPPS-GDBMZVCRSA-N 1 2 340.452 3.254 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@H]1C ZINC001122960660 1372348402 /nfs/dbraw/zinc/34/84/02/1372348402.db2.gz LRBLDKDDGDXCKV-WBVHZDCISA-N 1 2 340.471 3.257 20 30 EGEDLO Cc1cc(Nc2cc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c(C)n2)ccc1C#N ZINC001210805513 1372430165 /nfs/dbraw/zinc/43/01/65/1372430165.db2.gz CKVOEJKEWVAGRM-KBPBESRZSA-N 1 2 337.427 3.322 20 30 EGEDLO Cc1cc(Nc2cc(N3C[C@H](C)O[C@@H](C)C3)nc(C)[nH+]2)ccc1C#N ZINC001210805513 1372430168 /nfs/dbraw/zinc/43/01/68/1372430168.db2.gz CKVOEJKEWVAGRM-KBPBESRZSA-N 1 2 337.427 3.322 20 30 EGEDLO Cc1cc(NC[C@@H]2CC[C@H](NC(=O)C#CC3CC3)C2)nc(C(C)C)[nH+]1 ZINC001123793084 1372590673 /nfs/dbraw/zinc/59/06/73/1372590673.db2.gz AYZGBAVOBMWZAP-SJORKVTESA-N 1 2 340.471 3.019 20 30 EGEDLO C=C1CCC(C(=O)N[C@H](CNc2cc[nH+]c(C)n2)C(C)(C)C)CC1 ZINC001126091666 1372931812 /nfs/dbraw/zinc/93/18/12/1372931812.db2.gz ORFREYJXYUJUEO-MRXNPFEDSA-N 1 2 330.476 3.474 20 30 EGEDLO C=CCCCC(=O)N(CC)[C@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001126817472 1373033646 /nfs/dbraw/zinc/03/36/46/1373033646.db2.gz AQFSCAHYEAMUJQ-KRWDZBQOSA-N 1 2 330.476 3.349 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NC1(C2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC001127141576 1373097217 /nfs/dbraw/zinc/09/72/17/1373097217.db2.gz XINSZRTXGKACPN-CABCVRRESA-N 1 2 342.487 3.108 20 30 EGEDLO C=CC(C)(C)C(=O)NCC1=CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001127745428 1373172928 /nfs/dbraw/zinc/17/29/28/1373172928.db2.gz IDQCKOGFCHVMRX-UHFFFAOYSA-N 1 2 340.471 3.127 20 30 EGEDLO C=CC1(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3csnn3)C2)CCCCC1 ZINC001215896392 1373248763 /nfs/dbraw/zinc/24/87/63/1373248763.db2.gz FNQDXTLBPMISSL-GDBMZVCRSA-N 1 2 348.516 3.001 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)C(C)(C)CC)c2C1 ZINC001128467147 1373273672 /nfs/dbraw/zinc/27/36/72/1373273672.db2.gz PARJGRPGZLNCNE-UHFFFAOYSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)C(C)(C)CC)c2C1 ZINC001128467147 1373273676 /nfs/dbraw/zinc/27/36/76/1373273676.db2.gz PARJGRPGZLNCNE-UHFFFAOYSA-N 1 2 346.519 3.498 20 30 EGEDLO Cc1c(C#N)cccc1Nc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001216177318 1373274850 /nfs/dbraw/zinc/27/48/50/1373274850.db2.gz IICIRALPDKMJTH-UHFFFAOYSA-N 1 2 337.423 3.321 20 30 EGEDLO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)[C@@H]1[NH2+]CCS1 ZINC001219483559 1373711528 /nfs/dbraw/zinc/71/15/28/1373711528.db2.gz YWMNHOFSCNMIQQ-OAHLLOKOSA-N 1 2 338.936 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CC(C)(C)CC)C[C@@H](C)O2 ZINC001131661609 1373749823 /nfs/dbraw/zinc/74/98/23/1373749823.db2.gz OSTUBDHXNAWIGG-CRAIPNDOSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC(C)(C)CC)C[C@@H](C)O2 ZINC001131661609 1373749828 /nfs/dbraw/zinc/74/98/28/1373749828.db2.gz OSTUBDHXNAWIGG-CRAIPNDOSA-N 1 2 342.911 3.257 20 30 EGEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)c3cc(F)ccc3F)C[C@H]21 ZINC001221530700 1373778200 /nfs/dbraw/zinc/77/82/00/1373778200.db2.gz WBVVGPUQYKWTBY-QMTMVMCOSA-N 1 2 346.421 3.218 20 30 EGEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)c3cc(F)ccc3F)C[C@H]21 ZINC001221530700 1373778206 /nfs/dbraw/zinc/77/82/06/1373778206.db2.gz WBVVGPUQYKWTBY-QMTMVMCOSA-N 1 2 346.421 3.218 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC(C)(C)CC(F)F)[C@@H]2C1 ZINC001221701302 1373791200 /nfs/dbraw/zinc/79/12/00/1373791200.db2.gz NNJJVTHKEBLBHE-CHWSQXEVSA-N 1 2 334.838 3.343 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC(C)(C)CC(F)F)[C@@H]2C1 ZINC001221701302 1373791203 /nfs/dbraw/zinc/79/12/03/1373791203.db2.gz NNJJVTHKEBLBHE-CHWSQXEVSA-N 1 2 334.838 3.343 20 30 EGEDLO CC(C)=CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131772912 1373795255 /nfs/dbraw/zinc/79/52/55/1373795255.db2.gz VIWXCMRRXSYFDC-KSSFIOAISA-N 1 2 329.419 3.133 20 30 EGEDLO CC(C)=CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131772912 1373795257 /nfs/dbraw/zinc/79/52/57/1373795257.db2.gz VIWXCMRRXSYFDC-KSSFIOAISA-N 1 2 329.419 3.133 20 30 EGEDLO CCOCOc1ccc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC001326796962 1388313072 /nfs/dbraw/zinc/31/30/72/1388313072.db2.gz LCBCBHDODLCDLP-UHFFFAOYSA-N 1 2 338.407 3.194 20 30 EGEDLO N#Cc1cccc(CO[C@H]2CCC[N@@H+](Cc3cnc(Cl)s3)C2)n1 ZINC001223061768 1375030083 /nfs/dbraw/zinc/03/00/83/1375030083.db2.gz PSBWYPHZEXPRRJ-AWEZNQCLSA-N 1 2 348.859 3.244 20 30 EGEDLO N#Cc1cccc(CO[C@H]2CCC[N@H+](Cc3cnc(Cl)s3)C2)n1 ZINC001223061768 1375030087 /nfs/dbraw/zinc/03/00/87/1375030087.db2.gz PSBWYPHZEXPRRJ-AWEZNQCLSA-N 1 2 348.859 3.244 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2nc3ccccc3n2C)C1 ZINC001131899055 1375035144 /nfs/dbraw/zinc/03/51/44/1375035144.db2.gz HUCIQGAVHOPXOB-JKSUJKDBSA-N 1 2 340.471 3.009 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2nc3ccccc3n2C)C1 ZINC001131899055 1375035148 /nfs/dbraw/zinc/03/51/48/1375035148.db2.gz HUCIQGAVHOPXOB-JKSUJKDBSA-N 1 2 340.471 3.009 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)/C(C)=C/CC)CC[C@H]1C ZINC001131917415 1375045484 /nfs/dbraw/zinc/04/54/84/1375045484.db2.gz GUOCEGDGCPIURB-GFUGXAQUSA-N 1 2 329.282 3.220 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)/C(C)=C/CC)CC[C@H]1C ZINC001131917415 1375045490 /nfs/dbraw/zinc/04/54/90/1375045490.db2.gz GUOCEGDGCPIURB-GFUGXAQUSA-N 1 2 329.282 3.220 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2csc(CCC)n2)C1 ZINC001132001947 1375092428 /nfs/dbraw/zinc/09/24/28/1375092428.db2.gz FWRPMKBIBQEJNO-CVEARBPZSA-N 1 2 347.528 3.368 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2csc(CCC)n2)C1 ZINC001132001947 1375092431 /nfs/dbraw/zinc/09/24/31/1375092431.db2.gz FWRPMKBIBQEJNO-CVEARBPZSA-N 1 2 347.528 3.368 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1cc(C2CC2)no1 ZINC001132039264 1375112229 /nfs/dbraw/zinc/11/22/29/1375112229.db2.gz XUQKOWXMFZGLQY-GOEBONIOSA-N 1 2 343.471 3.071 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1cc(C2CC2)no1 ZINC001132039264 1375112231 /nfs/dbraw/zinc/11/22/31/1375112231.db2.gz XUQKOWXMFZGLQY-GOEBONIOSA-N 1 2 343.471 3.071 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1cc(F)ccc1Cl ZINC001132047010 1375115734 /nfs/dbraw/zinc/11/57/34/1375115734.db2.gz SMQZWLBFWAXHRB-GUYCJALGSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1cc(F)ccc1Cl ZINC001132047010 1375115736 /nfs/dbraw/zinc/11/57/36/1375115736.db2.gz SMQZWLBFWAXHRB-GUYCJALGSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1cccc(F)c1Cl ZINC001132046958 1375115928 /nfs/dbraw/zinc/11/59/28/1375115928.db2.gz SICQKSXNSKWSIU-CJNGLKHVSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1cccc(F)c1Cl ZINC001132046958 1375115931 /nfs/dbraw/zinc/11/59/31/1375115931.db2.gz SICQKSXNSKWSIU-CJNGLKHVSA-N 1 2 348.849 3.362 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)on2)C1 ZINC001132056641 1375121872 /nfs/dbraw/zinc/12/18/72/1375121872.db2.gz ARSLCSGBYPRVRV-PBHICJAKSA-N 1 2 331.460 3.221 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc(C)on2)C1 ZINC001132056641 1375121876 /nfs/dbraw/zinc/12/18/76/1375121876.db2.gz ARSLCSGBYPRVRV-PBHICJAKSA-N 1 2 331.460 3.221 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2cccc3c2CCC3=O)C1 ZINC001225618471 1375133170 /nfs/dbraw/zinc/13/31/70/1375133170.db2.gz MOIDPGSDWPZAHQ-KRWDZBQOSA-N 1 2 332.403 3.340 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2cccc3c2CCC3=O)C1 ZINC001225618471 1375133174 /nfs/dbraw/zinc/13/31/74/1375133174.db2.gz MOIDPGSDWPZAHQ-KRWDZBQOSA-N 1 2 332.403 3.340 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001132071492 1375133212 /nfs/dbraw/zinc/13/32/12/1375133212.db2.gz BEQLLTHWVPVURX-DLBZAZTESA-N 1 2 332.492 3.289 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001132071492 1375133215 /nfs/dbraw/zinc/13/32/15/1375133215.db2.gz BEQLLTHWVPVURX-DLBZAZTESA-N 1 2 332.492 3.289 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ncc(C)o2)C1 ZINC001132078967 1375135117 /nfs/dbraw/zinc/13/51/17/1375135117.db2.gz QNUXPGWPHBSKIC-RISCZKNCSA-N 1 2 339.867 3.231 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ncc(C)o2)C1 ZINC001132078967 1375135120 /nfs/dbraw/zinc/13/51/20/1375135120.db2.gz QNUXPGWPHBSKIC-RISCZKNCSA-N 1 2 339.867 3.231 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2(C(F)(F)F)CCC2)CC[C@@H]1C ZINC001132131840 1375162602 /nfs/dbraw/zinc/16/26/02/1375162602.db2.gz KTWPFAVBCPASTH-NWDGAFQWSA-N 1 2 338.801 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2(C(F)(F)F)CCC2)CC[C@@H]1C ZINC001132131840 1375162603 /nfs/dbraw/zinc/16/26/03/1375162603.db2.gz KTWPFAVBCPASTH-NWDGAFQWSA-N 1 2 338.801 3.441 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)CC2(C)CC2)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC001132191229 1375198208 /nfs/dbraw/zinc/19/82/08/1375198208.db2.gz RPGHBRCISJKZTM-KDOFPFPSSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)CC2(C)CC2)C[N@H+]1Cc1cc(F)ccc1C#N ZINC001132191229 1375198211 /nfs/dbraw/zinc/19/82/11/1375198211.db2.gz RPGHBRCISJKZTM-KDOFPFPSSA-N 1 2 343.446 3.357 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2cc(F)cnc2Cl)C1 ZINC001226111211 1375204153 /nfs/dbraw/zinc/20/41/53/1375204153.db2.gz SIHLTVMCEXSGHI-OAHLLOKOSA-N 1 2 331.778 3.399 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2cc(F)cnc2Cl)C1 ZINC001226111211 1375204157 /nfs/dbraw/zinc/20/41/57/1375204157.db2.gz SIHLTVMCEXSGHI-OAHLLOKOSA-N 1 2 331.778 3.399 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)sc2C)C1 ZINC001132218461 1375217104 /nfs/dbraw/zinc/21/71/04/1375217104.db2.gz QUSKYBWLGQOICE-DOMZBBRYSA-N 1 2 335.517 3.441 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2nc(C)sc2C)C1 ZINC001132218461 1375217106 /nfs/dbraw/zinc/21/71/06/1375217106.db2.gz QUSKYBWLGQOICE-DOMZBBRYSA-N 1 2 335.517 3.441 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2csc(C)n2)C1 ZINC001132223616 1375220486 /nfs/dbraw/zinc/22/04/86/1375220486.db2.gz GETSUYVYHRWYQN-GDBMZVCRSA-N 1 2 333.501 3.114 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2csc(C)n2)C1 ZINC001132223616 1375220489 /nfs/dbraw/zinc/22/04/89/1375220489.db2.gz GETSUYVYHRWYQN-GDBMZVCRSA-N 1 2 333.501 3.114 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2nc(C)cs2)C1 ZINC001132234840 1375229565 /nfs/dbraw/zinc/22/95/65/1375229565.db2.gz FVQZCSNWEIYRBN-HOTGVXAUSA-N 1 2 333.501 3.114 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2nc(C)cs2)C1 ZINC001132234840 1375229566 /nfs/dbraw/zinc/22/95/66/1375229566.db2.gz FVQZCSNWEIYRBN-HOTGVXAUSA-N 1 2 333.501 3.114 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=C)Br)C1 ZINC001132255647 1375249785 /nfs/dbraw/zinc/24/97/85/1375249785.db2.gz CQSJYWHQLSQZLG-ZIAGYGMSSA-N 1 2 329.282 3.220 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccncc2Cl)C1 ZINC001132235415 1375231024 /nfs/dbraw/zinc/23/10/24/1375231024.db2.gz NCFBFQDYAMITJC-WBVHZDCISA-N 1 2 347.890 3.398 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccncc2Cl)C1 ZINC001132235415 1375231029 /nfs/dbraw/zinc/23/10/29/1375231029.db2.gz NCFBFQDYAMITJC-WBVHZDCISA-N 1 2 347.890 3.398 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2nocc2C)C1 ZINC001132242132 1375239227 /nfs/dbraw/zinc/23/92/27/1375239227.db2.gz ZZKUXNJDWXRWBM-IRXDYDNUSA-N 1 2 331.460 3.036 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2nocc2C)C1 ZINC001132242132 1375239232 /nfs/dbraw/zinc/23/92/32/1375239232.db2.gz ZZKUXNJDWXRWBM-IRXDYDNUSA-N 1 2 331.460 3.036 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)CCCC2CC2)CC[C@@H]1C ZINC001132245681 1375240500 /nfs/dbraw/zinc/24/05/00/1375240500.db2.gz NZUVXXKODXNIFS-ZFWWWQNUSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)CCCC2CC2)CC[C@@H]1C ZINC001132245681 1375240504 /nfs/dbraw/zinc/24/05/04/1375240504.db2.gz NZUVXXKODXNIFS-ZFWWWQNUSA-N 1 2 343.309 3.444 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=C)Br)C1 ZINC001132255647 1375249783 /nfs/dbraw/zinc/24/97/83/1375249783.db2.gz CQSJYWHQLSQZLG-ZIAGYGMSSA-N 1 2 329.282 3.220 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001132327780 1375306547 /nfs/dbraw/zinc/30/65/47/1375306547.db2.gz VMIQUSIXMJNUMJ-BBRMVZONSA-N 1 2 333.476 3.363 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001132327780 1375306553 /nfs/dbraw/zinc/30/65/53/1375306553.db2.gz VMIQUSIXMJNUMJ-BBRMVZONSA-N 1 2 333.476 3.363 20 30 EGEDLO CC(=O)Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1 ZINC001226846806 1375344958 /nfs/dbraw/zinc/34/49/58/1375344958.db2.gz GULACDAAVYLFOV-OAQYLSRUSA-N 1 2 334.419 3.343 20 30 EGEDLO CC(=O)Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cc1 ZINC001226846806 1375344964 /nfs/dbraw/zinc/34/49/64/1375344964.db2.gz GULACDAAVYLFOV-OAQYLSRUSA-N 1 2 334.419 3.343 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2ccc3ccc(=O)cc-3[nH]2)C1 ZINC001226910407 1375355246 /nfs/dbraw/zinc/35/52/46/1375355246.db2.gz ZXWMHDACVOWWGV-IBGZPJMESA-N 1 2 345.402 3.465 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2ccc3ccc(=O)cc-3[nH]2)C1 ZINC001226910407 1375355260 /nfs/dbraw/zinc/35/52/60/1375355260.db2.gz ZXWMHDACVOWWGV-IBGZPJMESA-N 1 2 345.402 3.465 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)COCCCCCC)CC[C@@H]1C ZINC001132445405 1375389062 /nfs/dbraw/zinc/38/90/62/1375389062.db2.gz NZQHLYCUIGUSDJ-JKSUJKDBSA-N 1 2 330.900 3.305 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)COCCCCCC)CC[C@@H]1C ZINC001132445405 1375389067 /nfs/dbraw/zinc/38/90/67/1375389067.db2.gz NZQHLYCUIGUSDJ-JKSUJKDBSA-N 1 2 330.900 3.305 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@](C)(F)CCCC)CC1 ZINC001228065665 1375513938 /nfs/dbraw/zinc/51/39/38/1375513938.db2.gz SIMKMYUFHDJYFJ-OAHLLOKOSA-N 1 2 349.288 3.394 20 30 EGEDLO C=CC(C)(C)C(=O)NC1CC[NH+](Cc2cc(-c3ccco3)on2)CC1 ZINC001228631572 1375621586 /nfs/dbraw/zinc/62/15/86/1375621586.db2.gz PBVUCOZOZFPXRO-UHFFFAOYSA-N 1 2 343.427 3.227 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC001228760825 1375667255 /nfs/dbraw/zinc/66/72/55/1375667255.db2.gz PGPFOBQDJCXXEG-HUUCEWRRSA-N 1 2 345.487 3.092 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001228810627 1375685092 /nfs/dbraw/zinc/68/50/92/1375685092.db2.gz YQPOGIQJRCGESP-AWEZNQCLSA-N 1 2 331.460 3.235 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC001228810619 1375685666 /nfs/dbraw/zinc/68/56/66/1375685666.db2.gz YNLKWFNWYADBEX-GFCCVEGCSA-N 1 2 341.908 3.479 20 30 EGEDLO N#Cc1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)c(F)c1 ZINC001133032857 1375726114 /nfs/dbraw/zinc/72/61/14/1375726114.db2.gz KOJHNNZAUHVFSZ-GOSISDBHSA-N 1 2 334.354 3.065 20 30 EGEDLO C=CCC1(C(=O)NC2CC[NH+](Cc3ncc(C4CC4)o3)CC2)CCC1 ZINC001229029893 1375745860 /nfs/dbraw/zinc/74/58/60/1375745860.db2.gz ILKRMGSMJRGMJP-UHFFFAOYSA-N 1 2 343.471 3.379 20 30 EGEDLO CCO[C@@H](C)COc1nc(C)c(-c2ccc3[nH+]ccn3c2)cc1C#N ZINC001229767464 1375889310 /nfs/dbraw/zinc/88/93/10/1375889310.db2.gz CPKXRNDXEUHDNM-ZDUSSCGKSA-N 1 2 336.395 3.380 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@H+](CC(=C)Br)C[C@H]21 ZINC001188909530 1388407845 /nfs/dbraw/zinc/40/78/45/1388407845.db2.gz UGFCRCGVKDYPSI-SOUVJXGZSA-N 1 2 341.293 3.030 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](CC(=C)Br)C[C@H]21 ZINC001188909530 1388407847 /nfs/dbraw/zinc/40/78/47/1388407847.db2.gz UGFCRCGVKDYPSI-SOUVJXGZSA-N 1 2 341.293 3.030 20 30 EGEDLO C#CCC1(C(=O)NC2CC[NH+](Cc3coc(C)n3)CC2)CCCCC1 ZINC001230404950 1376021138 /nfs/dbraw/zinc/02/11/38/1376021138.db2.gz RPLQKCAEBZCCLM-UHFFFAOYSA-N 1 2 343.471 3.037 20 30 EGEDLO C#C[C@@H](Oc1ccc2c(c1)[C@H]1OCC[N@@H+](CCC)[C@@H]1CO2)C(C)C ZINC001230425929 1376026563 /nfs/dbraw/zinc/02/65/63/1376026563.db2.gz BXCDMHGXYDYAGZ-QWFCFKBJSA-N 1 2 329.440 3.268 20 30 EGEDLO C#C[C@@H](Oc1ccc2c(c1)[C@H]1OCC[N@H+](CCC)[C@@H]1CO2)C(C)C ZINC001230425929 1376026582 /nfs/dbraw/zinc/02/65/82/1376026582.db2.gz BXCDMHGXYDYAGZ-QWFCFKBJSA-N 1 2 329.440 3.268 20 30 EGEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC001231168784 1376211716 /nfs/dbraw/zinc/21/17/16/1376211716.db2.gz AQXTYTXWQXXNBT-GOSISDBHSA-N 1 2 330.859 3.190 20 30 EGEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001231168784 1376211718 /nfs/dbraw/zinc/21/17/18/1376211718.db2.gz AQXTYTXWQXXNBT-GOSISDBHSA-N 1 2 330.859 3.190 20 30 EGEDLO C=CCOc1cccc(C[N@H+]2CCc3cnc(SC)nc3C2)c1 ZINC001231624794 1376284742 /nfs/dbraw/zinc/28/47/42/1376284742.db2.gz WMWHIMCULOPHED-UHFFFAOYSA-N 1 2 327.453 3.322 20 30 EGEDLO C=CCOc1cccc(C[N@@H+]2CCc3cnc(SC)nc3C2)c1 ZINC001231624794 1376284750 /nfs/dbraw/zinc/28/47/50/1376284750.db2.gz WMWHIMCULOPHED-UHFFFAOYSA-N 1 2 327.453 3.322 20 30 EGEDLO C=CCOc1cccc(C[NH+]2CCN(CCc3ccncc3)CC2)c1 ZINC001231623562 1376286133 /nfs/dbraw/zinc/28/61/33/1376286133.db2.gz KBXGVKLGFAQYHP-UHFFFAOYSA-N 1 2 337.467 3.007 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cnc(F)cc1C)CCO2 ZINC001231983414 1376371266 /nfs/dbraw/zinc/37/12/66/1376371266.db2.gz SHVBGTGJBVXSPR-PKOBYXMFSA-N 1 2 334.435 3.103 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cnc(F)cc1C)CCO2 ZINC001231983414 1376371270 /nfs/dbraw/zinc/37/12/70/1376371270.db2.gz SHVBGTGJBVXSPR-PKOBYXMFSA-N 1 2 334.435 3.103 20 30 EGEDLO C[N@H+](CCCCNC(=O)OC(C)(C)C)Cc1cc(C#N)ccc1O ZINC001232678411 1376499982 /nfs/dbraw/zinc/49/99/82/1376499982.db2.gz YARBHZGVXKLKMF-UHFFFAOYSA-N 1 2 333.432 3.001 20 30 EGEDLO C[N@@H+](CCCCNC(=O)OC(C)(C)C)Cc1cc(C#N)ccc1O ZINC001232678411 1376499984 /nfs/dbraw/zinc/49/99/84/1376499984.db2.gz YARBHZGVXKLKMF-UHFFFAOYSA-N 1 2 333.432 3.001 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)s1 ZINC001232843730 1376523474 /nfs/dbraw/zinc/52/34/74/1376523474.db2.gz WJIUNJDJHDKUMO-LSDHHAIUSA-N 1 2 329.450 3.061 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)s1 ZINC001232843730 1376523476 /nfs/dbraw/zinc/52/34/76/1376523476.db2.gz WJIUNJDJHDKUMO-LSDHHAIUSA-N 1 2 329.450 3.061 20 30 EGEDLO Cc1cccnc1OC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001232892387 1376535975 /nfs/dbraw/zinc/53/59/75/1376535975.db2.gz IBIVDACEIJPPCL-UHFFFAOYSA-N 1 2 325.387 3.444 20 30 EGEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cccc(C#N)n1 ZINC001232926607 1376538442 /nfs/dbraw/zinc/53/84/42/1376538442.db2.gz VUYVCQSVOOOLGZ-OLMNPRSZSA-N 1 2 341.455 3.428 20 30 EGEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cccc(C#N)n1 ZINC001232926607 1376538449 /nfs/dbraw/zinc/53/84/49/1376538449.db2.gz VUYVCQSVOOOLGZ-OLMNPRSZSA-N 1 2 341.455 3.428 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3cncc(Cl)n3)C2)cc1 ZINC001233451317 1376649717 /nfs/dbraw/zinc/64/97/17/1376649717.db2.gz GPEKPVDCANQCIZ-MRXNPFEDSA-N 1 2 328.803 3.045 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CCC[N@H+](Cc3cncc(Cl)n3)C2)cc1 ZINC001233451317 1376649719 /nfs/dbraw/zinc/64/97/19/1376649719.db2.gz GPEKPVDCANQCIZ-MRXNPFEDSA-N 1 2 328.803 3.045 20 30 EGEDLO CCC(=CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)CC ZINC001233600192 1376679732 /nfs/dbraw/zinc/67/97/32/1376679732.db2.gz IFPYUFICVXVJBS-SFHVURJKSA-N 1 2 343.446 3.476 20 30 EGEDLO CCC(=CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)CC ZINC001233600192 1376679733 /nfs/dbraw/zinc/67/97/33/1376679733.db2.gz IFPYUFICVXVJBS-SFHVURJKSA-N 1 2 343.446 3.476 20 30 EGEDLO CCC(=CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F)CC ZINC001233645493 1376690188 /nfs/dbraw/zinc/69/01/88/1376690188.db2.gz ZSMYPHBXKFSOJK-SFHVURJKSA-N 1 2 343.446 3.476 20 30 EGEDLO CCC(=CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(C#N)ccc1F)CC ZINC001233645493 1376690193 /nfs/dbraw/zinc/69/01/93/1376690193.db2.gz ZSMYPHBXKFSOJK-SFHVURJKSA-N 1 2 343.446 3.476 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(OC)c(Cl)c1 ZINC001233967231 1376745482 /nfs/dbraw/zinc/74/54/82/1376745482.db2.gz XWONYVADFXZLLK-INIZCTEOSA-N 1 2 348.874 3.185 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(OC)c(Cl)c1 ZINC001233967231 1376745499 /nfs/dbraw/zinc/74/54/99/1376745499.db2.gz XWONYVADFXZLLK-INIZCTEOSA-N 1 2 348.874 3.185 20 30 EGEDLO C[C@@]1(C#N)CCN(Cc2ccc(-n3cc[nH+]c3)c(Br)c2)C1 ZINC001235040329 1376838241 /nfs/dbraw/zinc/83/82/41/1376838241.db2.gz WAHSOCPVSOILSP-INIZCTEOSA-N 1 2 345.244 3.370 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCCC1CC1 ZINC001265650779 1377158473 /nfs/dbraw/zinc/15/84/73/1377158473.db2.gz DNRKFEBMCRJRTH-OAHLLOKOSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)CCCC1CC1 ZINC001265650779 1377158475 /nfs/dbraw/zinc/15/84/75/1377158475.db2.gz DNRKFEBMCRJRTH-OAHLLOKOSA-N 1 2 343.309 3.446 20 30 EGEDLO COc1ccc(CN2CC[NH+](Cc3ccccc3F)CC2)c(C#N)c1 ZINC001137703061 1377598960 /nfs/dbraw/zinc/59/89/60/1377598960.db2.gz BPNJEAZFUMONPD-UHFFFAOYSA-N 1 2 339.414 3.024 20 30 EGEDLO CC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)CCO1 ZINC001137904207 1377641880 /nfs/dbraw/zinc/64/18/80/1377641880.db2.gz RJBPAPYXTBCCRD-OAQYLSRUSA-N 1 2 349.434 3.116 20 30 EGEDLO CC(=O)[C@H]1C[N@@H+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)CCO1 ZINC001137904207 1377641883 /nfs/dbraw/zinc/64/18/83/1377641883.db2.gz RJBPAPYXTBCCRD-OAQYLSRUSA-N 1 2 349.434 3.116 20 30 EGEDLO Cn1c2ccccc2nc1C[N@@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001138380435 1377712503 /nfs/dbraw/zinc/71/25/03/1377712503.db2.gz FEGJJZAESAYOPG-KRWDZBQOSA-N 1 2 346.434 3.488 20 30 EGEDLO Cn1c2ccccc2nc1C[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001138380435 1377712504 /nfs/dbraw/zinc/71/25/04/1377712504.db2.gz FEGJJZAESAYOPG-KRWDZBQOSA-N 1 2 346.434 3.488 20 30 EGEDLO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)c(OC)c1 ZINC001138385895 1377714115 /nfs/dbraw/zinc/71/41/15/1377714115.db2.gz CKNAPDKZKWFKRQ-GOSISDBHSA-N 1 2 346.496 3.316 20 30 EGEDLO CCN(CC)c1ccc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)c(OC)c1 ZINC001138385895 1377714116 /nfs/dbraw/zinc/71/41/16/1377714116.db2.gz CKNAPDKZKWFKRQ-GOSISDBHSA-N 1 2 346.496 3.316 20 30 EGEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1cncn1Cc1ccccc1)CC2 ZINC001138561397 1377743274 /nfs/dbraw/zinc/74/32/74/1377743274.db2.gz PTTPJVJZQDSCER-UHFFFAOYSA-N 1 2 328.419 3.361 20 30 EGEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1cncn1Cc1ccccc1)CC2 ZINC001138561397 1377743276 /nfs/dbraw/zinc/74/32/76/1377743276.db2.gz PTTPJVJZQDSCER-UHFFFAOYSA-N 1 2 328.419 3.361 20 30 EGEDLO C=C(C)COc1ccccc1C[N@@H+]1CCn2cnc(COCC)c2C1 ZINC001138664383 1377765135 /nfs/dbraw/zinc/76/51/35/1377765135.db2.gz PKWILOOIJURTFY-UHFFFAOYSA-N 1 2 341.455 3.390 20 30 EGEDLO C=C(C)COc1ccccc1C[N@H+]1CCn2cnc(COCC)c2C1 ZINC001138664383 1377765136 /nfs/dbraw/zinc/76/51/36/1377765136.db2.gz PKWILOOIJURTFY-UHFFFAOYSA-N 1 2 341.455 3.390 20 30 EGEDLO C[N@H+](Cc1ccc(Oc2ccc(C#N)cc2)nc1)Cc1ccncn1 ZINC001139428652 1377882988 /nfs/dbraw/zinc/88/29/88/1377882988.db2.gz HYEYCGVTRQZXIM-UHFFFAOYSA-N 1 2 331.379 3.168 20 30 EGEDLO C[N@@H+](Cc1ccc(Oc2ccc(C#N)cc2)nc1)Cc1ccncn1 ZINC001139428652 1377882995 /nfs/dbraw/zinc/88/29/95/1377882995.db2.gz HYEYCGVTRQZXIM-UHFFFAOYSA-N 1 2 331.379 3.168 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)cc1F ZINC001139527739 1377897214 /nfs/dbraw/zinc/89/72/14/1377897214.db2.gz IQBGNECNTGQNPO-DLBZAZTESA-N 1 2 341.411 3.139 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)cc1F ZINC001139527739 1377897215 /nfs/dbraw/zinc/89/72/15/1377897215.db2.gz IQBGNECNTGQNPO-DLBZAZTESA-N 1 2 341.411 3.139 20 30 EGEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1F ZINC001139526036 1377897318 /nfs/dbraw/zinc/89/73/18/1377897318.db2.gz RWMRWGWUIXUULW-UHFFFAOYSA-N 1 2 327.378 3.154 20 30 EGEDLO N#Cc1cccc(N2CC[NH+](Cc3c[nH]c(-c4ccccc4)n3)CC2)c1 ZINC001139556798 1377906320 /nfs/dbraw/zinc/90/63/20/1377906320.db2.gz PQPMTHQJILCYMR-UHFFFAOYSA-N 1 2 343.434 3.271 20 30 EGEDLO C=CCn1cc(C[N@@H+](C)[C@@H]2CN(Cc3ccccc3)CC[C@@H]2C)cn1 ZINC001139770319 1377949265 /nfs/dbraw/zinc/94/92/65/1377949265.db2.gz MDAJOWYGFCCRMP-GHTZIAJQSA-N 1 2 338.499 3.412 20 30 EGEDLO C=CCn1cc(C[N@H+](C)[C@@H]2CN(Cc3ccccc3)CC[C@@H]2C)cn1 ZINC001139770319 1377949271 /nfs/dbraw/zinc/94/92/71/1377949271.db2.gz MDAJOWYGFCCRMP-GHTZIAJQSA-N 1 2 338.499 3.412 20 30 EGEDLO O=C1C=C2C[N@H+](Cc3cnc(-c4ccccc4F)nc3)CC[C@@H]2S1 ZINC001140400775 1378057494 /nfs/dbraw/zinc/05/74/94/1378057494.db2.gz DKYMQXAMHDTFQU-INIZCTEOSA-N 1 2 341.411 3.057 20 30 EGEDLO O=C1C=C2C[N@@H+](Cc3cnc(-c4ccccc4F)nc3)CC[C@@H]2S1 ZINC001140400775 1378057495 /nfs/dbraw/zinc/05/74/95/1378057495.db2.gz DKYMQXAMHDTFQU-INIZCTEOSA-N 1 2 341.411 3.057 20 30 EGEDLO COC(=O)C1(C#N)CC[NH+](Cc2c(Cl)ncc3ccccc32)CC1 ZINC001140725611 1378124538 /nfs/dbraw/zinc/12/45/38/1378124538.db2.gz DXTBQIDBEJCCPU-UHFFFAOYSA-N 1 2 343.814 3.167 20 30 EGEDLO C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2Cl)C[C@@]1(O)C(F)(F)F ZINC001140808533 1378145740 /nfs/dbraw/zinc/14/57/40/1378145740.db2.gz UTXGBMDLWDFDJN-YGRLFVJLSA-N 1 2 332.753 3.347 20 30 EGEDLO C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2Cl)C[C@@]1(O)C(F)(F)F ZINC001140808533 1378145743 /nfs/dbraw/zinc/14/57/43/1378145743.db2.gz UTXGBMDLWDFDJN-YGRLFVJLSA-N 1 2 332.753 3.347 20 30 EGEDLO C[N@H+](Cc1sc(N)c(C#N)c1Cl)Cc1ccc2c(c1)OCO2 ZINC001141114613 1378242109 /nfs/dbraw/zinc/24/21/09/1378242109.db2.gz SZNGOKMWMJDAMB-UHFFFAOYSA-N 1 2 335.816 3.216 20 30 EGEDLO C[N@@H+](Cc1sc(N)c(C#N)c1Cl)Cc1ccc2c(c1)OCO2 ZINC001141114613 1378242111 /nfs/dbraw/zinc/24/21/11/1378242111.db2.gz SZNGOKMWMJDAMB-UHFFFAOYSA-N 1 2 335.816 3.216 20 30 EGEDLO C=CCOC(=O)N1CC[NH+](Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC001141184954 1378261252 /nfs/dbraw/zinc/26/12/52/1378261252.db2.gz UDGBXBDHSVOKPS-UHFFFAOYSA-N 1 2 344.455 3.230 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@H+]1[C@@H]2C[C@H]1CN(C(=O)[C@H]1C=CCC=C1C)C2 ZINC001279696579 1378318762 /nfs/dbraw/zinc/31/87/62/1378318762.db2.gz ARBYXTDKBQLNGJ-HBMCJLEFSA-N 1 2 347.462 3.174 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@@H+]1[C@@H]2C[C@H]1CN(C(=O)[C@H]1C=CCC=C1C)C2 ZINC001279696579 1378318767 /nfs/dbraw/zinc/31/87/67/1378318767.db2.gz ARBYXTDKBQLNGJ-HBMCJLEFSA-N 1 2 347.462 3.174 20 30 EGEDLO C#C[C@H]1CCC[N@@H+](Cc2cc(I)ccc2F)C1 ZINC001141449539 1378328243 /nfs/dbraw/zinc/32/82/43/1378328243.db2.gz ZVHRKPKLWDPDQU-NSHDSACASA-N 1 2 343.183 3.276 20 30 EGEDLO C#C[C@H]1CCC[N@H+](Cc2cc(I)ccc2F)C1 ZINC001141449539 1378328248 /nfs/dbraw/zinc/32/82/48/1378328248.db2.gz ZVHRKPKLWDPDQU-NSHDSACASA-N 1 2 343.183 3.276 20 30 EGEDLO N#Cc1ccc(Br)cc1C[N@H+]1CCC[C@](O)(CF)CC1 ZINC001141893940 1378391639 /nfs/dbraw/zinc/39/16/39/1378391639.db2.gz DGOBACFEZJJNGM-OAHLLOKOSA-N 1 2 341.224 3.007 20 30 EGEDLO N#Cc1ccc(Br)cc1C[N@@H+]1CCC[C@](O)(CF)CC1 ZINC001141893940 1378391644 /nfs/dbraw/zinc/39/16/44/1378391644.db2.gz DGOBACFEZJJNGM-OAHLLOKOSA-N 1 2 341.224 3.007 20 30 EGEDLO N#Cc1ccc(F)c(C[NH+]2CCC(O)(Cc3ccccc3)CC2)c1F ZINC001143164134 1378552518 /nfs/dbraw/zinc/55/25/18/1378552518.db2.gz VRTWMJHOQZMPLP-UHFFFAOYSA-N 1 2 342.389 3.406 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](Oc3cccnc3)C2)c1F ZINC001143172764 1378553805 /nfs/dbraw/zinc/55/38/05/1378553805.db2.gz CUUGJMADGQEFIQ-HNNXBMFYSA-N 1 2 329.350 3.275 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](Oc3cccnc3)C2)c1F ZINC001143172764 1378553809 /nfs/dbraw/zinc/55/38/09/1378553809.db2.gz CUUGJMADGQEFIQ-HNNXBMFYSA-N 1 2 329.350 3.275 20 30 EGEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001143723454 1378638917 /nfs/dbraw/zinc/63/89/17/1378638917.db2.gz PQIIEKUPCICMEP-VQIMIIECSA-N 1 2 346.858 3.372 20 30 EGEDLO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001143723454 1378638919 /nfs/dbraw/zinc/63/89/19/1378638919.db2.gz PQIIEKUPCICMEP-VQIMIIECSA-N 1 2 346.858 3.372 20 30 EGEDLO CC(C)C(=O)N1CCC[C@]12CC[N@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001143724452 1378639038 /nfs/dbraw/zinc/63/90/38/1378639038.db2.gz XIPTZKMGJKDWDB-LJQANCHMSA-N 1 2 345.874 3.435 20 30 EGEDLO CC(C)C(=O)N1CCC[C@]12CC[N@@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001143724452 1378639040 /nfs/dbraw/zinc/63/90/40/1378639040.db2.gz XIPTZKMGJKDWDB-LJQANCHMSA-N 1 2 345.874 3.435 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)C=C(CC)CC)C2)C1 ZINC001147328890 1379005339 /nfs/dbraw/zinc/00/53/39/1379005339.db2.gz KBYRSJZGGVKWFK-UHFFFAOYSA-N 1 2 341.293 3.176 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)C=C(CC)CC)C2)C1 ZINC001147328890 1379005341 /nfs/dbraw/zinc/00/53/41/1379005341.db2.gz KBYRSJZGGVKWFK-UHFFFAOYSA-N 1 2 341.293 3.176 20 30 EGEDLO C#CCCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C(C)C)o1)C2 ZINC001147381641 1379012374 /nfs/dbraw/zinc/01/23/74/1379012374.db2.gz NXFPMABGVRORBF-UHFFFAOYSA-N 1 2 343.471 3.026 20 30 EGEDLO C#CCCCCC(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C(C)C)o1)C2 ZINC001147381641 1379012378 /nfs/dbraw/zinc/01/23/78/1379012378.db2.gz NXFPMABGVRORBF-UHFFFAOYSA-N 1 2 343.471 3.026 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C3CC3)o1)C2 ZINC001148087773 1379114775 /nfs/dbraw/zinc/11/47/75/1379114775.db2.gz GHPYEGWOMZDUQK-CABCVRRESA-N 1 2 343.471 3.045 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C3CC3)o1)C2 ZINC001148087773 1379114781 /nfs/dbraw/zinc/11/47/81/1379114781.db2.gz GHPYEGWOMZDUQK-CABCVRRESA-N 1 2 343.471 3.045 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C(C)C)o1)C2 ZINC001148096294 1379118028 /nfs/dbraw/zinc/11/80/28/1379118028.db2.gz YYUAOOKEDIGCOI-CVEARBPZSA-N 1 2 345.487 3.291 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C(C)C)o1)C2 ZINC001148096294 1379118030 /nfs/dbraw/zinc/11/80/30/1379118030.db2.gz YYUAOOKEDIGCOI-CVEARBPZSA-N 1 2 345.487 3.291 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@H+](Cc1csc(C)n1)C2 ZINC001148125725 1379121019 /nfs/dbraw/zinc/12/10/19/1379121019.db2.gz PFEFNJZGYWANBY-OAHLLOKOSA-N 1 2 333.501 3.088 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](Cc1csc(C)n1)C2 ZINC001148125725 1379121020 /nfs/dbraw/zinc/12/10/20/1379121020.db2.gz PFEFNJZGYWANBY-OAHLLOKOSA-N 1 2 333.501 3.088 20 30 EGEDLO C=CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001148193824 1379131402 /nfs/dbraw/zinc/13/14/02/1379131402.db2.gz KQABFEGEYWESNE-UHFFFAOYSA-N 1 2 341.430 3.088 20 30 EGEDLO C=CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001148193824 1379131403 /nfs/dbraw/zinc/13/14/03/1379131403.db2.gz KQABFEGEYWESNE-UHFFFAOYSA-N 1 2 341.430 3.088 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)CCCC(C)(C)C)C1 ZINC001149433220 1379382238 /nfs/dbraw/zinc/38/22/38/1379382238.db2.gz YGPPFQXXMPQUIE-HNNXBMFYSA-N 1 2 330.900 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)CCCC(C)(C)C)C1 ZINC001149433220 1379382241 /nfs/dbraw/zinc/38/22/41/1379382241.db2.gz YGPPFQXXMPQUIE-HNNXBMFYSA-N 1 2 330.900 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(C(F)(F)F)CCC2)[C@H]1C ZINC001284127420 1379503116 /nfs/dbraw/zinc/50/31/16/1379503116.db2.gz AOSSRCOSWXFSEM-VXGBXAGGSA-N 1 2 338.801 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(C(F)(F)F)CCC2)[C@H]1C ZINC001284127420 1379503118 /nfs/dbraw/zinc/50/31/18/1379503118.db2.gz AOSSRCOSWXFSEM-VXGBXAGGSA-N 1 2 338.801 3.441 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1C[N@H+](CC=C(Cl)Cl)CCCO1 ZINC001150165019 1379506601 /nfs/dbraw/zinc/50/66/01/1379506601.db2.gz FQIZLTDHSAPABR-ZIAGYGMSSA-N 1 2 349.302 3.115 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1C[N@@H+](CC=C(Cl)Cl)CCCO1 ZINC001150165019 1379506605 /nfs/dbraw/zinc/50/66/05/1379506605.db2.gz FQIZLTDHSAPABR-ZIAGYGMSSA-N 1 2 349.302 3.115 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)CCC2CCCCC2)C1 ZINC001150669473 1379592304 /nfs/dbraw/zinc/59/23/04/1379592304.db2.gz FMEGWUMESSROPV-QGZVFWFLSA-N 1 2 342.911 3.307 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)CCC2CCCCC2)C1 ZINC001150669473 1379592308 /nfs/dbraw/zinc/59/23/08/1379592308.db2.gz FMEGWUMESSROPV-QGZVFWFLSA-N 1 2 342.911 3.307 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CCCN(C(=O)c3c[nH]c4cc[nH+]cc43)C2)cc1 ZINC001152977216 1380001541 /nfs/dbraw/zinc/00/15/41/1380001541.db2.gz KTBKIEJIYIGEML-MRXNPFEDSA-N 1 2 346.390 3.118 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@]1(C)CC=CCC1 ZINC001153560751 1380093211 /nfs/dbraw/zinc/09/32/11/1380093211.db2.gz IBFOAVXXESXYOF-ZBFHGGJFSA-N 1 2 343.309 3.468 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@@]1(C)CC=CCC1 ZINC001153560751 1380093217 /nfs/dbraw/zinc/09/32/17/1380093217.db2.gz IBFOAVXXESXYOF-ZBFHGGJFSA-N 1 2 343.309 3.468 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)C1CCC1 ZINC001153975800 1380166764 /nfs/dbraw/zinc/16/67/64/1380166764.db2.gz ZGXYRDOJYPVGLG-CHWSQXEVSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)C1CCC1 ZINC001153975800 1380166766 /nfs/dbraw/zinc/16/67/66/1380166766.db2.gz ZGXYRDOJYPVGLG-CHWSQXEVSA-N 1 2 331.298 3.158 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)c2cc3ccc(C(F)(F)F)cc3[nH]2)CC1 ZINC001154412642 1380273014 /nfs/dbraw/zinc/27/30/14/1380273014.db2.gz APHWUIYUPKBMBJ-UHFFFAOYSA-N 1 2 337.345 3.131 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1noc2c1CCCC2 ZINC001154750978 1380346148 /nfs/dbraw/zinc/34/61/48/1380346148.db2.gz HVKCQPUZTBLXLQ-CVEARBPZSA-N 1 2 347.503 3.482 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1noc2c1CCCC2 ZINC001154750978 1380346150 /nfs/dbraw/zinc/34/61/50/1380346150.db2.gz HVKCQPUZTBLXLQ-CVEARBPZSA-N 1 2 347.503 3.482 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)C1CC1 ZINC001154757575 1380346728 /nfs/dbraw/zinc/34/67/28/1380346728.db2.gz QQURUZPXQDHUPP-GFCCVEGCSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C1CC1 ZINC001154757575 1380346729 /nfs/dbraw/zinc/34/67/29/1380346729.db2.gz QQURUZPXQDHUPP-GFCCVEGCSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H](C)[N@H+](CC)Cc2nc(C)c(C)o2)CC1 ZINC001155028223 1380394552 /nfs/dbraw/zinc/39/45/52/1380394552.db2.gz SENVRLFJFYUALD-CQSZACIVSA-N 1 2 333.476 3.364 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2nc(C)c(C)o2)CC1 ZINC001155028223 1380394553 /nfs/dbraw/zinc/39/45/53/1380394553.db2.gz SENVRLFJFYUALD-CQSZACIVSA-N 1 2 333.476 3.364 20 30 EGEDLO C=CCCC1(C(=O)NC[C@@H](C)[N@H+](CC)CC(=C)Br)CC1 ZINC001155036677 1380395985 /nfs/dbraw/zinc/39/59/85/1380395985.db2.gz CKAFDQYRGSAESX-CQSZACIVSA-N 1 2 343.309 3.468 20 30 EGEDLO C=CCCC1(C(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)Br)CC1 ZINC001155036677 1380395987 /nfs/dbraw/zinc/39/59/87/1380395987.db2.gz CKAFDQYRGSAESX-CQSZACIVSA-N 1 2 343.309 3.468 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1csnc1OC ZINC001155489562 1380459409 /nfs/dbraw/zinc/45/94/09/1380459409.db2.gz GGHNROPTAVRYMV-CYBMUJFWSA-N 1 2 339.505 3.081 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1csnc1OC ZINC001155489562 1380459410 /nfs/dbraw/zinc/45/94/10/1380459410.db2.gz GGHNROPTAVRYMV-CYBMUJFWSA-N 1 2 339.505 3.081 20 30 EGEDLO CCc1cc(NC(=O)c2ccc3[nH+]c(N)[nH]c3c2)cc(CC)c1C#N ZINC001156975901 1380741017 /nfs/dbraw/zinc/74/10/17/1380741017.db2.gz WRGVOEKRMDXFIK-UHFFFAOYSA-N 1 2 333.395 3.394 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C[C@H](C)C1CC1 ZINC001157145839 1380785717 /nfs/dbraw/zinc/78/57/17/1380785717.db2.gz KCQGMPGQZKFKOL-LSDHHAIUSA-N 1 2 345.462 3.460 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C[C@H](C)C1CC1 ZINC001157145839 1380785722 /nfs/dbraw/zinc/78/57/22/1380785722.db2.gz KCQGMPGQZKFKOL-LSDHHAIUSA-N 1 2 345.462 3.460 20 30 EGEDLO C=CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1csc(CC)n1 ZINC001157661997 1380993259 /nfs/dbraw/zinc/99/32/59/1380993259.db2.gz SSGZRAQROGACSD-MRXNPFEDSA-N 1 2 335.517 3.485 20 30 EGEDLO C=CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1csc(CC)n1 ZINC001157661997 1380993263 /nfs/dbraw/zinc/99/32/63/1380993263.db2.gz SSGZRAQROGACSD-MRXNPFEDSA-N 1 2 335.517 3.485 20 30 EGEDLO C=CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nc2c(o1)CCCC2 ZINC001157710913 1381010901 /nfs/dbraw/zinc/01/09/01/1381010901.db2.gz MZEYDWMKLMQPIK-MRXNPFEDSA-N 1 2 345.487 3.333 20 30 EGEDLO C=CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nc2c(o1)CCCC2 ZINC001157710913 1381010904 /nfs/dbraw/zinc/01/09/04/1381010904.db2.gz MZEYDWMKLMQPIK-MRXNPFEDSA-N 1 2 345.487 3.333 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCC1CC1 ZINC001157722931 1381014687 /nfs/dbraw/zinc/01/46/87/1381014687.db2.gz NKQQHDLJSAGLMF-OAHLLOKOSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC1CC1 ZINC001157722931 1381014692 /nfs/dbraw/zinc/01/46/92/1381014692.db2.gz NKQQHDLJSAGLMF-OAHLLOKOSA-N 1 2 343.309 3.398 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@H](C)c1ncccn1 ZINC001158418830 1381239520 /nfs/dbraw/zinc/23/95/20/1381239520.db2.gz AMEKVUUHPGKIJD-IAGOWNOFSA-N 1 2 330.476 3.207 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@H](C)c1ncccn1 ZINC001158418830 1381239525 /nfs/dbraw/zinc/23/95/25/1381239525.db2.gz AMEKVUUHPGKIJD-IAGOWNOFSA-N 1 2 330.476 3.207 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@@H+](Cc2cscn2)CC1 ZINC001160242219 1382045423 /nfs/dbraw/zinc/04/54/23/1382045423.db2.gz GRAUKAGCRNQGMC-UHFFFAOYSA-N 1 2 333.501 3.384 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@H+](Cc2cscn2)CC1 ZINC001160242219 1382045419 /nfs/dbraw/zinc/04/54/19/1382045419.db2.gz GRAUKAGCRNQGMC-UHFFFAOYSA-N 1 2 333.501 3.384 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@@H+]([C@H](C)c2nc(C)no2)CC1 ZINC001160967283 1382253637 /nfs/dbraw/zinc/25/36/37/1382253637.db2.gz DUKDSCXYSJRUHP-GDBMZVCRSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@H+]([C@H](C)c2nc(C)no2)CC1 ZINC001160967283 1382253638 /nfs/dbraw/zinc/25/36/38/1382253638.db2.gz DUKDSCXYSJRUHP-GDBMZVCRSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@@H+]([C@@H](C)c2ncccn2)CC1 ZINC001160967051 1382254062 /nfs/dbraw/zinc/25/40/62/1382254062.db2.gz AKGBKMQIWLKTFL-IRXDYDNUSA-N 1 2 342.487 3.278 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@H+]([C@@H](C)c2ncccn2)CC1 ZINC001160967051 1382254064 /nfs/dbraw/zinc/25/40/64/1382254064.db2.gz AKGBKMQIWLKTFL-IRXDYDNUSA-N 1 2 342.487 3.278 20 30 EGEDLO CCCCCCCC(=O)c1ccc(O)c(C(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC001161023180 1382276502 /nfs/dbraw/zinc/27/65/02/1382276502.db2.gz AKELWBMHBIPYAI-OAHLLOKOSA-N 1 2 346.471 3.369 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)C[C@@H]2C[C@@H]2C)CC1 ZINC001161113687 1382302627 /nfs/dbraw/zinc/30/26/27/1382302627.db2.gz SWUNNCABHALQDY-WFASDCNBSA-N 1 2 341.293 3.080 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)C[C@@H]2C[C@@H]2C)CC1 ZINC001161113687 1382302631 /nfs/dbraw/zinc/30/26/31/1382302631.db2.gz SWUNNCABHALQDY-WFASDCNBSA-N 1 2 341.293 3.080 20 30 EGEDLO N#CCc1cc[nH+]c(N[C@@H](Cc2ccccc2)C(=O)N2CCCCC2)c1 ZINC001162484741 1382771135 /nfs/dbraw/zinc/77/11/35/1382771135.db2.gz GLWAASJEIHSOKU-IBGZPJMESA-N 1 2 348.450 3.183 20 30 EGEDLO N#Cc1ccc(-c2ccncc2)nc1NCc1ccc2[nH+]ccn2c1 ZINC001163140301 1382975475 /nfs/dbraw/zinc/97/54/75/1382975475.db2.gz AJXMPZHIKSIUKF-UHFFFAOYSA-N 1 2 326.363 3.275 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC(C)(C)C1 ZINC001328719883 1388824277 /nfs/dbraw/zinc/82/42/77/1388824277.db2.gz KJDWBYNNFTWGOK-AWEZNQCLSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CC(C)(C)C1 ZINC001328719883 1388824280 /nfs/dbraw/zinc/82/42/80/1388824280.db2.gz KJDWBYNNFTWGOK-AWEZNQCLSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1(C[NH2+]CC(F)(F)C(F)F)CC1 ZINC001166756536 1383472952 /nfs/dbraw/zinc/47/29/52/1383472952.db2.gz YKLJMOWWFKLKEC-LBPRGKRZSA-N 1 2 338.389 3.365 20 30 EGEDLO N#Cc1ccc(N2CCCN(c3cc4ccccc4c[nH+]3)CC2)nc1 ZINC001166840926 1383485773 /nfs/dbraw/zinc/48/57/73/1383485773.db2.gz VBBKGGVYGCHGII-UHFFFAOYSA-N 1 2 329.407 3.218 20 30 EGEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NC[C@H]2CC(C)(C)O2)[nH+]1 ZINC001168453360 1383910602 /nfs/dbraw/zinc/91/06/02/1383910602.db2.gz VILLDAWXSFBNEK-RSUXAODGSA-N 1 2 337.489 3.251 20 30 EGEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC001168475759 1383917508 /nfs/dbraw/zinc/91/75/08/1383917508.db2.gz PEPLVYLDBYVUCO-AUUYWEPGSA-N 1 2 340.398 3.002 20 30 EGEDLO C[N@@H+]1CCc2c(NC3=CC(=O)CC(C)(C)C3)ccc([N+](=O)[O-])c2C1 ZINC001169952625 1384203125 /nfs/dbraw/zinc/20/31/25/1384203125.db2.gz AYSZGYLGQDLQMA-UHFFFAOYSA-N 1 2 329.400 3.268 20 30 EGEDLO C[N@H+]1CCc2c(NC3=CC(=O)CC(C)(C)C3)ccc([N+](=O)[O-])c2C1 ZINC001169952625 1384203130 /nfs/dbraw/zinc/20/31/30/1384203130.db2.gz AYSZGYLGQDLQMA-UHFFFAOYSA-N 1 2 329.400 3.268 20 30 EGEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCC(C)(C)S)[nH+]1 ZINC001170305422 1384287390 /nfs/dbraw/zinc/28/73/90/1384287390.db2.gz YUVDOEWYMLNMON-DDPFVEHASA-N 1 2 327.519 3.391 20 30 EGEDLO COc1cnc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)c2[nH]ccc21 ZINC001171177105 1384461684 /nfs/dbraw/zinc/46/16/84/1384461684.db2.gz DUEQKYXIVDCDBQ-UHFFFAOYSA-N 1 2 332.363 3.467 20 30 EGEDLO C=CC[C@@](C)([NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1)C(=O)OC ZINC001171530143 1384553477 /nfs/dbraw/zinc/55/34/77/1384553477.db2.gz PGAIBBUAXQHPKH-APPDUMDISA-N 1 2 327.346 3.059 20 30 EGEDLO CCCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001316947875 1384719383 /nfs/dbraw/zinc/71/93/83/1384719383.db2.gz OTSSUAGPWNCSBK-GOSISDBHSA-N 1 2 327.472 3.465 20 30 EGEDLO CCCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001316947875 1384719386 /nfs/dbraw/zinc/71/93/86/1384719386.db2.gz OTSSUAGPWNCSBK-GOSISDBHSA-N 1 2 327.472 3.465 20 30 EGEDLO C=CCOC1CCC([NH2+][C@H](Cc2ccc(F)cc2)C(=O)OC)CC1 ZINC001173318568 1384957309 /nfs/dbraw/zinc/95/73/09/1384957309.db2.gz CTHKJIMTJJHWMH-DAWZGUTISA-N 1 2 335.419 3.013 20 30 EGEDLO Cc1ccc(C#N)cc1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001174432449 1385108215 /nfs/dbraw/zinc/10/82/15/1385108215.db2.gz SVPSLNJJAMFLDI-UHFFFAOYSA-N 1 2 337.423 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1csc2c1CC[C@@H](C)C2 ZINC001317469699 1385163956 /nfs/dbraw/zinc/16/39/56/1385163956.db2.gz OEDGALZUXHCHBJ-LLVKDONJSA-N 1 2 326.893 3.287 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1csc2c1CC[C@@H](C)C2 ZINC001317469699 1385163957 /nfs/dbraw/zinc/16/39/57/1385163957.db2.gz OEDGALZUXHCHBJ-LLVKDONJSA-N 1 2 326.893 3.287 20 30 EGEDLO C[N@H+](CCNC(=O)CC(C1CC1)C1CC1)Cc1cc(C#N)ccc1F ZINC001317472067 1385166967 /nfs/dbraw/zinc/16/69/67/1385166967.db2.gz USVOUBIBNKIXJN-UHFFFAOYSA-N 1 2 343.446 3.072 20 30 EGEDLO C[N@@H+](CCNC(=O)CC(C1CC1)C1CC1)Cc1cc(C#N)ccc1F ZINC001317472067 1385166969 /nfs/dbraw/zinc/16/69/69/1385166969.db2.gz USVOUBIBNKIXJN-UHFFFAOYSA-N 1 2 343.446 3.072 20 30 EGEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)[C@H](C)C(C)(F)F ZINC001317544588 1385288300 /nfs/dbraw/zinc/28/83/00/1385288300.db2.gz AENRZEAPXKXUJN-NSHDSACASA-N 1 2 341.240 3.015 20 30 EGEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)[C@H](C)C(C)(F)F ZINC001317544588 1385288301 /nfs/dbraw/zinc/28/83/01/1385288301.db2.gz AENRZEAPXKXUJN-NSHDSACASA-N 1 2 341.240 3.015 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)CCc1ccc(F)cc1F)C1CC1 ZINC001317559386 1385335097 /nfs/dbraw/zinc/33/50/97/1385335097.db2.gz WKKUOXJELCFDJD-UHFFFAOYSA-N 1 2 342.817 3.231 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)CCc1ccc(F)cc1F)C1CC1 ZINC001317559386 1385335099 /nfs/dbraw/zinc/33/50/99/1385335099.db2.gz WKKUOXJELCFDJD-UHFFFAOYSA-N 1 2 342.817 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)C1CC1 ZINC001317561541 1385340901 /nfs/dbraw/zinc/34/09/01/1385340901.db2.gz MGIRDMZMULTRNP-DLBZAZTESA-N 1 2 336.838 3.262 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)C1CC1 ZINC001317561541 1385340903 /nfs/dbraw/zinc/34/09/03/1385340903.db2.gz MGIRDMZMULTRNP-DLBZAZTESA-N 1 2 336.838 3.262 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CCc2scnc2C)C1 ZINC001318483394 1385715511 /nfs/dbraw/zinc/71/55/11/1385715511.db2.gz CMRWUMSDTDYYLJ-CQSZACIVSA-N 1 2 341.908 3.059 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCc2scnc2C)C1 ZINC001318483394 1385715515 /nfs/dbraw/zinc/71/55/15/1385715515.db2.gz CMRWUMSDTDYYLJ-CQSZACIVSA-N 1 2 341.908 3.059 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001177019466 1385774311 /nfs/dbraw/zinc/77/43/11/1385774311.db2.gz MUICNFULPTVSOM-RBUKOAKNSA-N 1 2 342.483 3.091 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001177019466 1385774314 /nfs/dbraw/zinc/77/43/14/1385774314.db2.gz MUICNFULPTVSOM-RBUKOAKNSA-N 1 2 342.483 3.091 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]2OCC[N@H+](Cc3ccc(C)cc3)[C@@H]2C1 ZINC001177025020 1385776660 /nfs/dbraw/zinc/77/66/60/1385776660.db2.gz NZKJNDCOYYLCQA-UXHICEINSA-N 1 2 342.483 3.153 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]2OCC[N@@H+](Cc3ccc(C)cc3)[C@@H]2C1 ZINC001177025020 1385776665 /nfs/dbraw/zinc/77/66/65/1385776665.db2.gz NZKJNDCOYYLCQA-UXHICEINSA-N 1 2 342.483 3.153 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2OCC[N@H+](Cc3ccc(C)cc3)[C@@H]2C1 ZINC001177025022 1385777114 /nfs/dbraw/zinc/77/71/14/1385777114.db2.gz NZKJNDCOYYLCQA-WOJBJXKFSA-N 1 2 342.483 3.153 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2OCC[N@@H+](Cc3ccc(C)cc3)[C@@H]2C1 ZINC001177025022 1385777116 /nfs/dbraw/zinc/77/71/16/1385777116.db2.gz NZKJNDCOYYLCQA-WOJBJXKFSA-N 1 2 342.483 3.153 20 30 EGEDLO C=CC1(CC(=O)N2CC[C@@H]3OCC[N@@H+](CC(=C)C)[C@@H]3C2)CCCCC1 ZINC001177112601 1385817790 /nfs/dbraw/zinc/81/77/90/1385817790.db2.gz JEOLBCKDIZOULY-MOPGFXCFSA-N 1 2 346.515 3.391 20 30 EGEDLO C=CC1(CC(=O)N2CC[C@@H]3OCC[N@H+](CC(=C)C)[C@@H]3C2)CCCCC1 ZINC001177112601 1385817793 /nfs/dbraw/zinc/81/77/93/1385817793.db2.gz JEOLBCKDIZOULY-MOPGFXCFSA-N 1 2 346.515 3.391 20 30 EGEDLO N#C[C@H](Cc1cccs1)C(=O)Nc1ccnc(-c2cc(N)cc[nH+]2)c1 ZINC001177902973 1386078399 /nfs/dbraw/zinc/07/83/99/1386078399.db2.gz CNHSAJLKWSVXRO-LBPRGKRZSA-N 1 2 349.419 3.108 20 30 EGEDLO CN(C)c1ccc(NCc2cc(C#N)ccc2Br)[nH+]c1 ZINC001178060132 1386119449 /nfs/dbraw/zinc/11/94/49/1386119449.db2.gz MWFBDFXGYVTGRZ-UHFFFAOYSA-N 1 2 331.217 3.394 20 30 EGEDLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccc(C#N)s2)cs1 ZINC001178690801 1386278543 /nfs/dbraw/zinc/27/85/43/1386278543.db2.gz IKSWIEPMYWDJJC-GFCCVEGCSA-N 1 2 332.454 3.166 20 30 EGEDLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccc(C#N)s2)cs1 ZINC001178690801 1386278547 /nfs/dbraw/zinc/27/85/47/1386278547.db2.gz IKSWIEPMYWDJJC-GFCCVEGCSA-N 1 2 332.454 3.166 20 30 EGEDLO C[C@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F)C1CCC1 ZINC001320009855 1386451298 /nfs/dbraw/zinc/45/12/98/1386451298.db2.gz OIAJOHYIDBKKBM-AWEZNQCLSA-N 1 2 331.435 3.024 20 30 EGEDLO C[C@H](C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F)C1CCC1 ZINC001320009855 1386451300 /nfs/dbraw/zinc/45/13/00/1386451300.db2.gz OIAJOHYIDBKKBM-AWEZNQCLSA-N 1 2 331.435 3.024 20 30 EGEDLO C=CC[C@@H]([NH2+][C@H](C)Cc1ccc(Br)cc1)C(=O)OCC ZINC001320767878 1386712722 /nfs/dbraw/zinc/71/27/22/1386712722.db2.gz ONHYOUCHXAITIU-IUODEOHRSA-N 1 2 340.261 3.478 20 30 EGEDLO C=CC[C@@H]([NH2+][C@@H](C)Cc1ccc(Br)cc1)C(=O)OCC ZINC001320767880 1386712828 /nfs/dbraw/zinc/71/28/28/1386712828.db2.gz ONHYOUCHXAITIU-SWLSCSKDSA-N 1 2 340.261 3.478 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([NH2+]Cc2ncc(C(C)(C)C)o2)C1 ZINC001182824975 1387230695 /nfs/dbraw/zinc/23/06/95/1387230695.db2.gz JXTNRZJMZHYYMI-MRXNPFEDSA-N 1 2 345.487 3.431 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc2nccc(C)c2c1 ZINC001329448002 1389113360 /nfs/dbraw/zinc/11/33/60/1389113360.db2.gz AIXKOXMOGFTVJV-CQSZACIVSA-N 1 2 331.847 3.346 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccc2nccc(C)c2c1 ZINC001329448002 1389113362 /nfs/dbraw/zinc/11/33/62/1389113362.db2.gz AIXKOXMOGFTVJV-CQSZACIVSA-N 1 2 331.847 3.346 20 30 EGEDLO C=C(Br)C[N@H+]1CCCCC[C@H]1CNC(=O)C1(CC)CC1 ZINC001329935842 1389264075 /nfs/dbraw/zinc/26/40/75/1389264075.db2.gz GDBFRXQCEDDQEL-AWEZNQCLSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCCC[C@H]1CNC(=O)C1(CC)CC1 ZINC001329935842 1389264078 /nfs/dbraw/zinc/26/40/78/1389264078.db2.gz GDBFRXQCEDDQEL-AWEZNQCLSA-N 1 2 343.309 3.446 20 30 EGEDLO C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCC[N@@H+]2C)n1C ZINC001339202434 1389940791 /nfs/dbraw/zinc/94/07/91/1389940791.db2.gz BCKHVDSYSGEKSV-QGZVFWFLSA-N 1 2 325.460 3.165 20 30 EGEDLO C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCC[N@H+]2C)n1C ZINC001339202434 1389940796 /nfs/dbraw/zinc/94/07/96/1389940796.db2.gz BCKHVDSYSGEKSV-QGZVFWFLSA-N 1 2 325.460 3.165 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)CCC(F)(F)F ZINC001340389882 1390281786 /nfs/dbraw/zinc/28/17/86/1390281786.db2.gz KHTRVBICDMXYHO-GFCCVEGCSA-N 1 2 331.386 3.010 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)CCC(F)(F)F ZINC001340389882 1390281787 /nfs/dbraw/zinc/28/17/87/1390281787.db2.gz KHTRVBICDMXYHO-GFCCVEGCSA-N 1 2 331.386 3.010 20 30 EGEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCCC1 ZINC001340617342 1390328501 /nfs/dbraw/zinc/32/85/01/1390328501.db2.gz DKXDGINMBUUDNZ-MRXNPFEDSA-N 1 2 325.460 3.257 20 30 EGEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCCC1 ZINC001340617342 1390328505 /nfs/dbraw/zinc/32/85/05/1390328505.db2.gz DKXDGINMBUUDNZ-MRXNPFEDSA-N 1 2 325.460 3.257 20 30 EGEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@H]1CSC ZINC001342340978 1390602724 /nfs/dbraw/zinc/60/27/24/1390602724.db2.gz IWFUWLBXXZJIGY-INIZCTEOSA-N 1 2 349.548 3.172 20 30 EGEDLO C=C(C)CN(CC)c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1CC(C)C ZINC001342733163 1390646776 /nfs/dbraw/zinc/64/67/76/1390646776.db2.gz XHKDOLFYAHLZSV-QGZVFWFLSA-N 1 2 349.523 3.118 20 30 EGEDLO C=C(C)CN(CC)c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1CC(C)C ZINC001342733163 1390646778 /nfs/dbraw/zinc/64/67/78/1390646778.db2.gz XHKDOLFYAHLZSV-QGZVFWFLSA-N 1 2 349.523 3.118 20 30 EGEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC(C(C)C)CC1 ZINC001343420930 1390712985 /nfs/dbraw/zinc/71/29/85/1390712985.db2.gz XUFYJTLTBIBHOZ-UHFFFAOYSA-N 1 2 342.491 3.051 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@H](c2ccco2)C1 ZINC001343553373 1390722207 /nfs/dbraw/zinc/72/22/07/1390722207.db2.gz HCHXROJJIWLKGN-HOTGVXAUSA-N 1 2 341.459 3.208 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@H](c2ccco2)C1 ZINC001343553373 1390722209 /nfs/dbraw/zinc/72/22/09/1390722209.db2.gz HCHXROJJIWLKGN-HOTGVXAUSA-N 1 2 341.459 3.208 20 30 EGEDLO C=CCCn1cc(CNc2cc(C)c(Br)c(C)[nH+]2)nn1 ZINC001350005368 1391397321 /nfs/dbraw/zinc/39/73/21/1391397321.db2.gz BZKYQQXFTIYSLG-UHFFFAOYSA-N 1 2 336.237 3.241 20 30 EGEDLO CCc1ccc([C@@H](C)C(=O)NCC[N@H+](C)Cc2ccccc2C#N)cc1 ZINC001480924817 1393023103 /nfs/dbraw/zinc/02/31/03/1393023103.db2.gz YYQVUCDDQYUAQL-QGZVFWFLSA-N 1 2 349.478 3.472 20 30 EGEDLO CCc1ccc([C@@H](C)C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)cc1 ZINC001480924817 1393023111 /nfs/dbraw/zinc/02/31/11/1393023111.db2.gz YYQVUCDDQYUAQL-QGZVFWFLSA-N 1 2 349.478 3.472 20 30 EGEDLO C[C@H](C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F)c1ccccc1 ZINC001480936298 1393031907 /nfs/dbraw/zinc/03/19/07/1393031907.db2.gz DIXSTDPKKGOGNJ-HNNXBMFYSA-N 1 2 339.414 3.049 20 30 EGEDLO C[C@H](C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F)c1ccccc1 ZINC001480936298 1393031912 /nfs/dbraw/zinc/03/19/12/1393031912.db2.gz DIXSTDPKKGOGNJ-HNNXBMFYSA-N 1 2 339.414 3.049 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001481017580 1393093204 /nfs/dbraw/zinc/09/32/04/1393093204.db2.gz ILUOJPDOWOKEOL-LBPRGKRZSA-N 1 2 330.806 3.259 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001481017580 1393093209 /nfs/dbraw/zinc/09/32/09/1393093209.db2.gz ILUOJPDOWOKEOL-LBPRGKRZSA-N 1 2 330.806 3.259 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnn(C(C)(C)C)c1CC ZINC001481018217 1393094590 /nfs/dbraw/zinc/09/45/90/1393094590.db2.gz YKMDNKYFKAETSH-UHFFFAOYSA-N 1 2 340.899 3.005 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnn(C(C)(C)C)c1CC ZINC001481018217 1393094595 /nfs/dbraw/zinc/09/45/95/1393094595.db2.gz YKMDNKYFKAETSH-UHFFFAOYSA-N 1 2 340.899 3.005 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCc2cccc(F)c2F)C1 ZINC001481539891 1394402158 /nfs/dbraw/zinc/40/21/58/1394402158.db2.gz CJTRAXLUADXLMQ-AWEZNQCLSA-N 1 2 342.817 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCc2cccc(F)c2F)C1 ZINC001481539891 1394402159 /nfs/dbraw/zinc/40/21/59/1394402159.db2.gz CJTRAXLUADXLMQ-AWEZNQCLSA-N 1 2 342.817 3.231 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CCOc2ccccc2C)C1 ZINC001481751732 1394496306 /nfs/dbraw/zinc/49/63/06/1394496306.db2.gz ODOADLMASYWAGK-INIZCTEOSA-N 1 2 336.863 3.049 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CCOc2ccccc2C)C1 ZINC001481751732 1394496309 /nfs/dbraw/zinc/49/63/09/1394496309.db2.gz ODOADLMASYWAGK-INIZCTEOSA-N 1 2 336.863 3.049 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)C2(F)CCCC2)CC1 ZINC001483969358 1395168589 /nfs/dbraw/zinc/16/85/89/1395168589.db2.gz QYPDDPAEUODRCA-UHFFFAOYSA-N 1 2 347.272 3.148 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccn(C(CC)CC)n1 ZINC001485359054 1395833839 /nfs/dbraw/zinc/83/38/39/1395833839.db2.gz SMKRLGPLQYEAOC-ZDUSSCGKSA-N 1 2 326.872 3.047 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccn(C(CC)CC)n1 ZINC001485359054 1395833846 /nfs/dbraw/zinc/83/38/46/1395833846.db2.gz SMKRLGPLQYEAOC-ZDUSSCGKSA-N 1 2 326.872 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnoc1-c1ccccc1 ZINC001485372440 1395851188 /nfs/dbraw/zinc/85/11/88/1395851188.db2.gz VZEDABMCCHCLBE-ZDUSSCGKSA-N 1 2 333.819 3.144 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnoc1-c1ccccc1 ZINC001485372440 1395851193 /nfs/dbraw/zinc/85/11/93/1395851193.db2.gz VZEDABMCCHCLBE-ZDUSSCGKSA-N 1 2 333.819 3.144 20 30 EGEDLO CC(C)n1cccc1C(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001699004749 1406825195 /nfs/dbraw/zinc/82/51/95/1406825195.db2.gz ZEEAJOWZDCQJKH-UHFFFAOYSA-N 1 2 338.455 3.145 20 30 EGEDLO CC(C)n1cccc1C(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC001699004749 1406825203 /nfs/dbraw/zinc/82/52/03/1406825203.db2.gz ZEEAJOWZDCQJKH-UHFFFAOYSA-N 1 2 338.455 3.145 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001690040234 1404275190 /nfs/dbraw/zinc/27/51/90/1404275190.db2.gz OYKNVNQSBPWEIU-KRWDZBQOSA-N 1 2 329.419 3.134 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001690040234 1404275194 /nfs/dbraw/zinc/27/51/94/1404275194.db2.gz OYKNVNQSBPWEIU-KRWDZBQOSA-N 1 2 329.419 3.134 20 30 EGEDLO CCC[C@H](C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F)C(C)C ZINC001690980844 1404893357 /nfs/dbraw/zinc/89/33/57/1404893357.db2.gz UTZVMTLDPRUYOT-KRWDZBQOSA-N 1 2 333.451 3.318 20 30 EGEDLO CCC[C@H](C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F)C(C)C ZINC001690980844 1404893360 /nfs/dbraw/zinc/89/33/60/1404893360.db2.gz UTZVMTLDPRUYOT-KRWDZBQOSA-N 1 2 333.451 3.318 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C[C@H]1CCc2ccccc2C1 ZINC001691049900 1404964352 /nfs/dbraw/zinc/96/43/52/1404964352.db2.gz HRNLYHUNLMUSFU-INIZCTEOSA-N 1 2 334.891 3.372 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C[C@H]1CCc2ccccc2C1 ZINC001691049900 1404964354 /nfs/dbraw/zinc/96/43/54/1404964354.db2.gz HRNLYHUNLMUSFU-INIZCTEOSA-N 1 2 334.891 3.372 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001691059034 1404980663 /nfs/dbraw/zinc/98/06/63/1404980663.db2.gz NHQYUKSQALNRLZ-CYBMUJFWSA-N 1 2 326.843 3.195 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001691059034 1404980667 /nfs/dbraw/zinc/98/06/67/1404980667.db2.gz NHQYUKSQALNRLZ-CYBMUJFWSA-N 1 2 326.843 3.195 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)CCC1(C)CC1 ZINC001691066784 1404994995 /nfs/dbraw/zinc/99/49/95/1404994995.db2.gz VEZVFPXFLMWNTF-CQSZACIVSA-N 1 2 331.485 3.233 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)CCC1(C)CC1 ZINC001691066784 1404994999 /nfs/dbraw/zinc/99/49/99/1404994999.db2.gz VEZVFPXFLMWNTF-CQSZACIVSA-N 1 2 331.485 3.233 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H](C)c1cccc(OC)c1)C1CC1 ZINC001691237328 1405177849 /nfs/dbraw/zinc/17/78/49/1405177849.db2.gz XHXWSQIUCYFMAX-CQSZACIVSA-N 1 2 336.863 3.132 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H](C)c1cccc(OC)c1)C1CC1 ZINC001691237328 1405177850 /nfs/dbraw/zinc/17/78/50/1405177850.db2.gz XHXWSQIUCYFMAX-CQSZACIVSA-N 1 2 336.863 3.132 20 30 EGEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)c1cccs1 ZINC001731862688 1428104232 /nfs/dbraw/zinc/10/42/32/1428104232.db2.gz QVORIIPCPCEUEP-UHFFFAOYSA-N 1 2 331.279 3.099 20 30 EGEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1cccs1 ZINC001731862688 1428104234 /nfs/dbraw/zinc/10/42/34/1428104234.db2.gz QVORIIPCPCEUEP-UHFFFAOYSA-N 1 2 331.279 3.099 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2ccnn2C(C)C)C1 ZINC001732038000 1428260979 /nfs/dbraw/zinc/26/09/79/1428260979.db2.gz AVDCJADUIHMQEO-HNNXBMFYSA-N 1 2 338.883 3.143 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccnn2C(C)C)C1 ZINC001732038000 1428260982 /nfs/dbraw/zinc/26/09/82/1428260982.db2.gz AVDCJADUIHMQEO-HNNXBMFYSA-N 1 2 338.883 3.143 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cc(CC)ccn2)C1 ZINC001732038223 1428262278 /nfs/dbraw/zinc/26/22/78/1428262278.db2.gz DGFAKRXVCVTLKQ-MRXNPFEDSA-N 1 2 335.879 3.323 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cc(CC)ccn2)C1 ZINC001732038223 1428262282 /nfs/dbraw/zinc/26/22/82/1428262282.db2.gz DGFAKRXVCVTLKQ-MRXNPFEDSA-N 1 2 335.879 3.323 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H](C)CCC)CC1 ZINC001699771928 1413179228 /nfs/dbraw/zinc/17/92/28/1413179228.db2.gz QREDTOZQUJQPFL-LBPRGKRZSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1nnc(C2CC2)o1 ZINC001700345579 1413832230 /nfs/dbraw/zinc/83/22/30/1413832230.db2.gz ZUJPNDKLKHYACC-HOCLYGCPSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H](NC(=O)C(CC)CC)[C@H]1C ZINC001700882648 1414539845 /nfs/dbraw/zinc/53/98/45/1414539845.db2.gz ZXRBWBOQOUMYMY-OCCSQVGLSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)C(CC)CC)[C@H]1C ZINC001700882648 1414539848 /nfs/dbraw/zinc/53/98/48/1414539848.db2.gz ZXRBWBOQOUMYMY-OCCSQVGLSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)c2ncoc2CC)CC1 ZINC001713099201 1417650476 /nfs/dbraw/zinc/65/04/76/1417650476.db2.gz HKVICYVINCYRHG-UHFFFAOYSA-N 1 2 339.867 3.306 20 30 EGEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)C12CCC(CC1)C2 ZINC001713547589 1418320777 /nfs/dbraw/zinc/32/07/77/1418320777.db2.gz CGTUVPHQSLLGFK-UHFFFAOYSA-N 1 2 343.309 3.304 20 30 EGEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)C12CCC(CC1)C2 ZINC001713547589 1418320781 /nfs/dbraw/zinc/32/07/81/1418320781.db2.gz CGTUVPHQSLLGFK-UHFFFAOYSA-N 1 2 343.309 3.304 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccc(C(C)C)nc1C)C1CC1 ZINC001713562563 1418364367 /nfs/dbraw/zinc/36/43/67/1418364367.db2.gz DPDKFOPYQZBZMR-UHFFFAOYSA-N 1 2 335.879 3.460 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccc(C(C)C)nc1C)C1CC1 ZINC001713562563 1418364372 /nfs/dbraw/zinc/36/43/72/1418364372.db2.gz DPDKFOPYQZBZMR-UHFFFAOYSA-N 1 2 335.879 3.460 20 30 EGEDLO CCC[C@](C)(CC)C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001714975656 1419709935 /nfs/dbraw/zinc/70/99/35/1419709935.db2.gz GEMLXOINEHYXAC-FQEVSTJZSA-N 1 2 345.462 3.462 20 30 EGEDLO C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001715003637 1419734647 /nfs/dbraw/zinc/73/46/47/1419734647.db2.gz SSGUUMNWDRGZKH-CRAIPNDOSA-N 1 2 349.434 3.007 20 30 EGEDLO C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001715003637 1419734648 /nfs/dbraw/zinc/73/46/48/1419734648.db2.gz SSGUUMNWDRGZKH-CRAIPNDOSA-N 1 2 349.434 3.007 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)CCC2(C)CC2)C1 ZINC001715022075 1419753670 /nfs/dbraw/zinc/75/36/70/1419753670.db2.gz CEKPOCFMQMRJDT-CYBMUJFWSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)CCC2(C)CC2)C1 ZINC001715022075 1419753672 /nfs/dbraw/zinc/75/36/72/1419753672.db2.gz CEKPOCFMQMRJDT-CYBMUJFWSA-N 1 2 329.282 3.008 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)C(C)(C)c1ccccc1 ZINC001716002584 1420456352 /nfs/dbraw/zinc/45/63/52/1420456352.db2.gz MDARJJBDAVEMEW-UHFFFAOYSA-N 1 2 349.478 3.426 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)C(C)(C)c1ccccc1 ZINC001716002584 1420456354 /nfs/dbraw/zinc/45/63/54/1420456354.db2.gz MDARJJBDAVEMEW-UHFFFAOYSA-N 1 2 349.478 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc(Cl)c(OC)c1 ZINC001716497789 1420722475 /nfs/dbraw/zinc/72/24/75/1420722475.db2.gz NVQYWUGCYLSJGK-NSHDSACASA-N 1 2 331.243 3.151 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(Cl)c(OC)c1 ZINC001716497789 1420722476 /nfs/dbraw/zinc/72/24/76/1420722476.db2.gz NVQYWUGCYLSJGK-NSHDSACASA-N 1 2 331.243 3.151 20 30 EGEDLO C[N@H+](CCNC(=O)c1ccccc1Cl)Cc1cc(C#N)ccc1F ZINC001731793517 1427940520 /nfs/dbraw/zinc/94/05/20/1427940520.db2.gz AQPFCJBOYQQEGK-UHFFFAOYSA-N 1 2 345.805 3.213 20 30 EGEDLO C[N@@H+](CCNC(=O)c1ccccc1Cl)Cc1cc(C#N)ccc1F ZINC001731793517 1427940529 /nfs/dbraw/zinc/94/05/29/1427940529.db2.gz AQPFCJBOYQQEGK-UHFFFAOYSA-N 1 2 345.805 3.213 20 30 EGEDLO C[N@H+](CCNC(=O)c1cccc(Cl)c1)Cc1cc(C#N)ccc1F ZINC001731794226 1427943002 /nfs/dbraw/zinc/94/30/02/1427943002.db2.gz LTORNAFMSQIFMP-UHFFFAOYSA-N 1 2 345.805 3.213 20 30 EGEDLO C[N@@H+](CCNC(=O)c1cccc(Cl)c1)Cc1cc(C#N)ccc1F ZINC001731794226 1427943003 /nfs/dbraw/zinc/94/30/03/1427943003.db2.gz LTORNAFMSQIFMP-UHFFFAOYSA-N 1 2 345.805 3.213 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C1(c2cccnc2)CCCC1 ZINC001734051555 1437841480 /nfs/dbraw/zinc/84/14/80/1437841480.db2.gz NTRVYRBYNUFIOG-HNNXBMFYSA-N 1 2 335.879 3.082 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C1(c2cccnc2)CCCC1 ZINC001734051555 1437841481 /nfs/dbraw/zinc/84/14/81/1437841481.db2.gz NTRVYRBYNUFIOG-HNNXBMFYSA-N 1 2 335.879 3.082 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1noc(CC)n1 ZINC001752146775 1440146249 /nfs/dbraw/zinc/14/62/49/1440146249.db2.gz PHZZEAJINQBJBA-HUUCEWRRSA-N 1 2 348.491 3.094 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC001752381771 1440172670 /nfs/dbraw/zinc/17/26/70/1440172670.db2.gz LEANYNIPULQBOL-STQMWFEESA-N 1 2 342.892 3.073 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC001752381771 1440172671 /nfs/dbraw/zinc/17/26/71/1440172671.db2.gz LEANYNIPULQBOL-STQMWFEESA-N 1 2 342.892 3.073 20 30 EGEDLO CCCN(C(=O)C#CC(C)(C)C)C1CC[NH+](Cc2cscn2)CC1 ZINC001752434065 1440179738 /nfs/dbraw/zinc/17/97/38/1440179738.db2.gz ZNLJASDXFYCNDC-UHFFFAOYSA-N 1 2 347.528 3.396 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[C@@H]2C[N@H+](C/C(Cl)=C\Cl)CC[C@H]21 ZINC001752705583 1440202247 /nfs/dbraw/zinc/20/22/47/1440202247.db2.gz LPIZUGRZSMYCDY-WYURMQSCSA-N 1 2 343.298 3.278 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[C@@H]2C[N@@H+](C/C(Cl)=C\Cl)CC[C@H]21 ZINC001752705583 1440202248 /nfs/dbraw/zinc/20/22/48/1440202248.db2.gz LPIZUGRZSMYCDY-WYURMQSCSA-N 1 2 343.298 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](F)Cc1ccccc1 ZINC001752824686 1440223056 /nfs/dbraw/zinc/22/30/56/1440223056.db2.gz CCCZFPJZISPIJQ-SJORKVTESA-N 1 2 338.854 3.290 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](F)Cc1ccccc1 ZINC001752824686 1440223057 /nfs/dbraw/zinc/22/30/57/1440223057.db2.gz CCCZFPJZISPIJQ-SJORKVTESA-N 1 2 338.854 3.290 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2csc(CC)n2)C1 ZINC001752992501 1440259846 /nfs/dbraw/zinc/25/98/46/1440259846.db2.gz NQZATWHEIXOMTJ-MRXNPFEDSA-N 1 2 335.517 3.485 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@@H]([N@H+](C)Cc2csc(CC)n2)C1 ZINC001752992501 1440259847 /nfs/dbraw/zinc/25/98/47/1440259847.db2.gz NQZATWHEIXOMTJ-MRXNPFEDSA-N 1 2 335.517 3.485 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CCCNC(=O)C(F)C(F)(F)F ZINC001753027063 1440271678 /nfs/dbraw/zinc/27/16/78/1440271678.db2.gz CFOFBCLMAOVQFK-GHMZBOCLSA-N 1 2 330.753 3.000 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CCCNC(=O)C(F)C(F)(F)F ZINC001753027063 1440271679 /nfs/dbraw/zinc/27/16/79/1440271679.db2.gz CFOFBCLMAOVQFK-GHMZBOCLSA-N 1 2 330.753 3.000 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001753027063 1440271680 /nfs/dbraw/zinc/27/16/80/1440271680.db2.gz CFOFBCLMAOVQFK-GHMZBOCLSA-N 1 2 330.753 3.000 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001753027063 1440271681 /nfs/dbraw/zinc/27/16/81/1440271681.db2.gz CFOFBCLMAOVQFK-GHMZBOCLSA-N 1 2 330.753 3.000 20 30 EGEDLO C[N@H+](CCNC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21)Cc1ccccc1C#N ZINC001753065115 1440285142 /nfs/dbraw/zinc/28/51/42/1440285142.db2.gz DSQQVDLPPVWHTE-PMOLBWCYSA-N 1 2 339.483 3.323 20 30 EGEDLO C[N@@H+](CCNC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21)Cc1ccccc1C#N ZINC001753065115 1440285143 /nfs/dbraw/zinc/28/51/43/1440285143.db2.gz DSQQVDLPPVWHTE-PMOLBWCYSA-N 1 2 339.483 3.323 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C1(C(F)(F)F)CCCC1 ZINC001753096311 1440302587 /nfs/dbraw/zinc/30/25/87/1440302587.db2.gz VKMGFWDGXQKOCT-UHFFFAOYSA-N 1 2 326.790 3.300 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C1(C(F)(F)F)CCCC1 ZINC001753096311 1440302588 /nfs/dbraw/zinc/30/25/88/1440302588.db2.gz VKMGFWDGXQKOCT-UHFFFAOYSA-N 1 2 326.790 3.300 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC001753098285 1440303303 /nfs/dbraw/zinc/30/33/03/1440303303.db2.gz UXJSKQJTNHJJGA-AAEUAGOBSA-N 1 2 340.254 3.234 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC001753098285 1440303304 /nfs/dbraw/zinc/30/33/04/1440303304.db2.gz UXJSKQJTNHJJGA-AAEUAGOBSA-N 1 2 340.254 3.234 20 30 EGEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)CC3CCCCC3)C2)c1 ZINC001753402951 1440391400 /nfs/dbraw/zinc/39/14/00/1440391400.db2.gz YBGFUIDCTMDISF-UHFFFAOYSA-N 1 2 343.446 3.216 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(Cl)cc1 ZINC001753418974 1440395046 /nfs/dbraw/zinc/39/50/46/1440395046.db2.gz WUSVHATVQKIXMO-WBAXXEDZSA-N 1 2 348.874 3.106 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(Cl)cc1 ZINC001753418974 1440395047 /nfs/dbraw/zinc/39/50/47/1440395047.db2.gz WUSVHATVQKIXMO-WBAXXEDZSA-N 1 2 348.874 3.106 20 30 EGEDLO C=C[C@H](CC)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ncoc2C(C)C)C1 ZINC001753441324 1440401692 /nfs/dbraw/zinc/40/16/92/1440401692.db2.gz HFGYRUJRBIJAFA-HZPDHXFCSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C[C@H](CC)CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001753441324 1440401693 /nfs/dbraw/zinc/40/16/93/1440401693.db2.gz HFGYRUJRBIJAFA-HZPDHXFCSA-N 1 2 333.476 3.433 20 30 EGEDLO CN(C(=O)CCC1(C)CC1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001753446830 1440404156 /nfs/dbraw/zinc/40/41/56/1440404156.db2.gz NXAJHWBTVVMYEU-GOSISDBHSA-N 1 2 343.446 3.310 20 30 EGEDLO CN(C(=O)CCC1(C)CC1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001753446830 1440404157 /nfs/dbraw/zinc/40/41/57/1440404157.db2.gz NXAJHWBTVVMYEU-GOSISDBHSA-N 1 2 343.446 3.310 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2nnsc2Cl)CC1 ZINC001753586056 1440441231 /nfs/dbraw/zinc/44/12/31/1440441231.db2.gz TYENXIWZPZVQAA-HAQNSBGRSA-N 1 2 342.896 3.065 20 30 EGEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001753849555 1440506085 /nfs/dbraw/zinc/50/60/85/1440506085.db2.gz JPSHWJJAQOKDJY-DZFIZOCASA-N 1 2 343.446 3.024 20 30 EGEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001753849555 1440506086 /nfs/dbraw/zinc/50/60/86/1440506086.db2.gz JPSHWJJAQOKDJY-DZFIZOCASA-N 1 2 343.446 3.024 20 30 EGEDLO C=CCC1(C(=O)N(C)CCC[NH2+][C@@H](C)c2noc(C)n2)CCCC1 ZINC001754419529 1440597174 /nfs/dbraw/zinc/59/71/74/1440597174.db2.gz WDRIIJTVPKRDTN-AWEZNQCLSA-N 1 2 334.464 3.014 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(OC)c(Cl)c1 ZINC001754491237 1440610299 /nfs/dbraw/zinc/61/02/99/1440610299.db2.gz FPDGWIUUPYWBMJ-HNNXBMFYSA-N 1 2 336.863 3.395 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(OC)c(Cl)c1 ZINC001754491237 1440610300 /nfs/dbraw/zinc/61/03/00/1440610300.db2.gz FPDGWIUUPYWBMJ-HNNXBMFYSA-N 1 2 336.863 3.395 20 30 EGEDLO C=CC(C)(C)CC(=O)NCC1([NH2+][C@@H](C)c2nc(C(C)C)no2)CC1 ZINC001754514898 1440618417 /nfs/dbraw/zinc/61/84/17/1440618417.db2.gz LMBXJFAXUACZPV-ZDUSSCGKSA-N 1 2 334.464 3.095 20 30 EGEDLO N#CC[N@H+](CC1CC1)C1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC001754549245 1440629377 /nfs/dbraw/zinc/62/93/77/1440629377.db2.gz XVICKXHAVACDLU-UHFFFAOYSA-N 1 2 345.874 3.109 20 30 EGEDLO N#CC[N@@H+](CC1CC1)C1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC001754549245 1440629378 /nfs/dbraw/zinc/62/93/78/1440629378.db2.gz XVICKXHAVACDLU-UHFFFAOYSA-N 1 2 345.874 3.109 20 30 EGEDLO C=CCCCC(=O)N(C)C1C[NH+](CCOc2cc(C)ccc2C)C1 ZINC001754581357 1440638734 /nfs/dbraw/zinc/63/87/34/1440638734.db2.gz ZVAUCWURQASVRZ-UHFFFAOYSA-N 1 2 330.472 3.181 20 30 EGEDLO C=C[C@H](CC)CC(=O)N(C)C1C[NH+](CCOc2ccccc2C)C1 ZINC001754581702 1440638763 /nfs/dbraw/zinc/63/87/63/1440638763.db2.gz HTERQDUNSBNCFX-QGZVFWFLSA-N 1 2 330.472 3.119 20 30 EGEDLO C=CCCOCC(=O)N(C)C1C[NH+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC001754588111 1440640428 /nfs/dbraw/zinc/64/04/28/1440640428.db2.gz LBQZBDGMEVJKFC-UHFFFAOYSA-N 1 2 344.499 3.219 20 30 EGEDLO CCC[C@H](C)C(=O)N[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001754668785 1440657405 /nfs/dbraw/zinc/65/74/05/1440657405.db2.gz RZFCAOCUXCMPNY-LIRRHRJNSA-N 1 2 331.435 3.214 20 30 EGEDLO CCC[C@H](C)C(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001754668785 1440657406 /nfs/dbraw/zinc/65/74/06/1440657406.db2.gz RZFCAOCUXCMPNY-LIRRHRJNSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H](C)c2cccc(OC)c2)C1 ZINC001754685250 1440664603 /nfs/dbraw/zinc/66/46/03/1440664603.db2.gz HOIWGWBCVZZZLP-KDOFPFPSSA-N 1 2 336.863 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)c2cccc(OC)c2)C1 ZINC001754685250 1440664604 /nfs/dbraw/zinc/66/46/04/1440664604.db2.gz HOIWGWBCVZZZLP-KDOFPFPSSA-N 1 2 336.863 3.132 20 30 EGEDLO CC(C)C(=O)NCc1ccccc1C[N@H+](C)Cc1ccccc1C#N ZINC001754943568 1440712206 /nfs/dbraw/zinc/71/22/06/1440712206.db2.gz IJQBOGTXTKMLMT-UHFFFAOYSA-N 1 2 335.451 3.462 20 30 EGEDLO CC(C)C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccccc1C#N ZINC001754943568 1440712207 /nfs/dbraw/zinc/71/22/07/1440712207.db2.gz IJQBOGTXTKMLMT-UHFFFAOYSA-N 1 2 335.451 3.462 20 30 EGEDLO C=CCCC(=O)NCc1ccc([C@H](C)[NH2+]Cc2ncc(C)o2)cc1 ZINC001754953293 1440715618 /nfs/dbraw/zinc/71/56/18/1440715618.db2.gz IOTZIKBDTLBFDG-HNNXBMFYSA-N 1 2 327.428 3.416 20 30 EGEDLO C#CCCCC(=O)NCc1cccc2c1CC[N@@H+](CC(=C)Cl)C2 ZINC001754975761 1440719991 /nfs/dbraw/zinc/71/99/91/1440719991.db2.gz MMVZQZUFGAYZNW-UHFFFAOYSA-N 1 2 330.859 3.217 20 30 EGEDLO C#CCCCC(=O)NCc1cccc2c1CC[N@H+](CC(=C)Cl)C2 ZINC001754975761 1440719992 /nfs/dbraw/zinc/71/99/92/1440719992.db2.gz MMVZQZUFGAYZNW-UHFFFAOYSA-N 1 2 330.859 3.217 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C1(CC#C)CCCCC1 ZINC001755075154 1440748202 /nfs/dbraw/zinc/74/82/02/1440748202.db2.gz ABTJAOWGENGIMW-OAQYLSRUSA-N 1 2 348.490 3.137 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C1(CC#C)CCCCC1 ZINC001755075154 1440748203 /nfs/dbraw/zinc/74/82/03/1440748203.db2.gz ABTJAOWGENGIMW-OAQYLSRUSA-N 1 2 348.490 3.137 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CC[N@H+](Cc2nnc(C(C)(C)C)o2)[C@@H](C)C1 ZINC001755159238 1440764091 /nfs/dbraw/zinc/76/40/91/1440764091.db2.gz FJDKJWJMQCRLIU-GJZGRUSLSA-N 1 2 348.491 3.193 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](Cc2nnc(C(C)(C)C)o2)[C@@H](C)C1 ZINC001755159238 1440764092 /nfs/dbraw/zinc/76/40/92/1440764092.db2.gz FJDKJWJMQCRLIU-GJZGRUSLSA-N 1 2 348.491 3.193 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@H]1C[N@H+](Cc2cc(F)cc(F)c2)CC1(C)C ZINC001755407592 1440844735 /nfs/dbraw/zinc/84/47/35/1440844735.db2.gz NCRFOPWQBYFLJU-KRWDZBQOSA-N 1 2 348.437 3.341 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2)CC1(C)C ZINC001755407592 1440844736 /nfs/dbraw/zinc/84/47/36/1440844736.db2.gz NCRFOPWQBYFLJU-KRWDZBQOSA-N 1 2 348.437 3.341 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)CC1(C)C ZINC001755407594 1440844864 /nfs/dbraw/zinc/84/48/64/1440844864.db2.gz NCRFOPWQBYFLJU-QGZVFWFLSA-N 1 2 348.437 3.341 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)CC1(C)C ZINC001755407594 1440844865 /nfs/dbraw/zinc/84/48/65/1440844865.db2.gz NCRFOPWQBYFLJU-QGZVFWFLSA-N 1 2 348.437 3.341 20 30 EGEDLO C=CCC(C)(C)C(=O)N(C)C[C@H](C)[NH2+][C@H](C)c1nc(C2CC2)no1 ZINC001755605659 1440885380 /nfs/dbraw/zinc/88/53/80/1440885380.db2.gz FCCMPMQHFOCFOB-QWHCGFSZSA-N 1 2 334.464 3.047 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@@H](C)[NH2+][C@H](C)c2nc(C(C)C)no2)CC1 ZINC001755606087 1440885513 /nfs/dbraw/zinc/88/55/13/1440885513.db2.gz NAPJVQSVOFWJFX-HUUCEWRRSA-N 1 2 348.491 3.437 20 30 EGEDLO C[C@H]1[C@H](NC(=O)C#CC(C)(C)C)CCC[N@@H+]1CC=C(Cl)Cl ZINC001755718665 1440906351 /nfs/dbraw/zinc/90/63/51/1440906351.db2.gz OFKPJKOMFQOZRO-QWHCGFSZSA-N 1 2 331.287 3.324 20 30 EGEDLO C[C@H]1[C@H](NC(=O)C#CC(C)(C)C)CCC[N@H+]1CC=C(Cl)Cl ZINC001755718665 1440906352 /nfs/dbraw/zinc/90/63/52/1440906352.db2.gz OFKPJKOMFQOZRO-QWHCGFSZSA-N 1 2 331.287 3.324 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCC1=CC[N@H+](Cc2ncc(C)s2)CC1 ZINC001755891175 1440941231 /nfs/dbraw/zinc/94/12/31/1440941231.db2.gz UTIRGGYPNNXWLW-UHFFFAOYSA-N 1 2 333.501 3.302 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCC1=CC[N@@H+](Cc2ncc(C)s2)CC1 ZINC001755891175 1440941232 /nfs/dbraw/zinc/94/12/32/1440941232.db2.gz UTIRGGYPNNXWLW-UHFFFAOYSA-N 1 2 333.501 3.302 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]1CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001757296907 1441088485 /nfs/dbraw/zinc/08/84/85/1441088485.db2.gz JVQFMRLYSWJMIU-QGZVFWFLSA-N 1 2 343.471 3.036 20 30 EGEDLO Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000183973891 235275487 /nfs/dbraw/zinc/27/54/87/235275487.db2.gz YVSTVOGBIHZPTJ-QGZVFWFLSA-N 1 2 333.435 3.386 20 30 EGEDLO N#Cc1ccc(OCCN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000032652223 202229897 /nfs/dbraw/zinc/22/98/97/202229897.db2.gz CZEXNGFYJWKHLM-QPJJXVBHSA-N 1 2 347.462 3.268 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000221947412 201033065 /nfs/dbraw/zinc/03/30/65/201033065.db2.gz BZCLSJAYHMNEGP-CMPLNLGQSA-N 1 2 333.270 3.130 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000221947412 201033068 /nfs/dbraw/zinc/03/30/68/201033068.db2.gz BZCLSJAYHMNEGP-CMPLNLGQSA-N 1 2 333.270 3.130 20 30 EGEDLO C=C(C)C[N@@H+](CC)Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000079384854 201206141 /nfs/dbraw/zinc/20/61/41/201206141.db2.gz BPULOLWRRJIHMY-UHFFFAOYSA-N 1 2 329.469 3.471 20 30 EGEDLO C=C(C)C[N@H+](CC)Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000079384854 201206144 /nfs/dbraw/zinc/20/61/44/201206144.db2.gz BPULOLWRRJIHMY-UHFFFAOYSA-N 1 2 329.469 3.471 20 30 EGEDLO C=C(C)[C@@H](CC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C)OCC ZINC000270073209 201235842 /nfs/dbraw/zinc/23/58/42/201235842.db2.gz SIBTUBLAWHBIBU-HZPDHXFCSA-N 1 2 340.414 3.055 20 30 EGEDLO C=C(C)[C@@H](CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)OCC ZINC000270041513 201236711 /nfs/dbraw/zinc/23/67/11/201236711.db2.gz JXOANBRRAHOXCM-OAHLLOKOSA-N 1 2 337.489 3.439 20 30 EGEDLO C=CC[C@@H](C)NC(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270231158 201238035 /nfs/dbraw/zinc/23/80/35/201238035.db2.gz NXTZSNVTYCMATO-ZBFHGGJFSA-N 1 2 326.444 3.483 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CC[S@@](=O)C[C@H](C)C2)cc1Cl ZINC000277477294 201302030 /nfs/dbraw/zinc/30/20/30/201302030.db2.gz MMFVHFIBDZHAQW-LRTDBIEQSA-N 1 2 327.877 3.105 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CC[S@@](=O)C[C@H](C)C2)cc1Cl ZINC000277477294 201302033 /nfs/dbraw/zinc/30/20/33/201302033.db2.gz MMFVHFIBDZHAQW-LRTDBIEQSA-N 1 2 327.877 3.105 20 30 EGEDLO C=CCC[N@@H+](C)Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000276445874 201294429 /nfs/dbraw/zinc/29/44/29/201294429.db2.gz PAAXHTJHRFELPY-UHFFFAOYSA-N 1 2 336.233 3.431 20 30 EGEDLO C=CCC[N@H+](C)Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000276445874 201294433 /nfs/dbraw/zinc/29/44/33/201294433.db2.gz PAAXHTJHRFELPY-UHFFFAOYSA-N 1 2 336.233 3.431 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(=O)oc3cc(C)c(C)cc23)n1 ZINC000279677781 201320698 /nfs/dbraw/zinc/32/06/98/201320698.db2.gz GEUATIBEZFTHFO-UHFFFAOYSA-N 1 2 349.434 3.262 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(=O)oc3cc(C)c(C)cc23)n1 ZINC000279677781 201320702 /nfs/dbraw/zinc/32/07/02/201320702.db2.gz GEUATIBEZFTHFO-UHFFFAOYSA-N 1 2 349.434 3.262 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000072801836 203245072 /nfs/dbraw/zinc/24/50/72/203245072.db2.gz DLEGSRGLAJPNGQ-UHFFFAOYSA-N 1 2 345.752 3.424 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000108126072 204123410 /nfs/dbraw/zinc/12/34/10/204123410.db2.gz BZCLSJAYHMNEGP-ZYHUDNBSSA-N 1 2 333.270 3.130 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000108126072 204123414 /nfs/dbraw/zinc/12/34/14/204123414.db2.gz BZCLSJAYHMNEGP-ZYHUDNBSSA-N 1 2 333.270 3.130 20 30 EGEDLO N#Cc1cccc(OCCCCC(=O)NCc2cn3ccccc3[nH+]2)c1 ZINC000110606369 204316442 /nfs/dbraw/zinc/31/64/42/204316442.db2.gz OWOZVFUFZHVWSQ-UHFFFAOYSA-N 1 2 348.406 3.071 20 30 EGEDLO Cc1nc(N2CCN(c3cc(C#N)ccc3C(F)(F)F)CC2)cc[nH+]1 ZINC000129903679 205216905 /nfs/dbraw/zinc/21/69/05/205216905.db2.gz BXFGWAGGKGOYRE-UHFFFAOYSA-N 1 2 347.344 3.002 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000158490241 206193706 /nfs/dbraw/zinc/19/37/06/206193706.db2.gz XTWNSRSQMVFROV-UHFFFAOYSA-N 1 2 334.398 3.281 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000158490241 206193708 /nfs/dbraw/zinc/19/37/08/206193708.db2.gz XTWNSRSQMVFROV-UHFFFAOYSA-N 1 2 334.398 3.281 20 30 EGEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000160724764 206310153 /nfs/dbraw/zinc/31/01/53/206310153.db2.gz MIXJMOIFMMSRJY-ZDUSSCGKSA-N 1 2 346.427 3.294 20 30 EGEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000160724764 206310155 /nfs/dbraw/zinc/31/01/55/206310155.db2.gz MIXJMOIFMMSRJY-ZDUSSCGKSA-N 1 2 346.427 3.294 20 30 EGEDLO CCCn1nc(C)c(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1C ZINC000377254926 169003026 /nfs/dbraw/zinc/00/30/26/169003026.db2.gz WRPVXPCOKODBGS-HXUWFJFHSA-N 1 2 338.455 3.355 20 30 EGEDLO CCCn1nc(C)c(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1C ZINC000377254926 169003027 /nfs/dbraw/zinc/00/30/27/169003027.db2.gz WRPVXPCOKODBGS-HXUWFJFHSA-N 1 2 338.455 3.355 20 30 EGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1ccc(Cl)c(C#N)n1 ZINC000301581466 269690625 /nfs/dbraw/zinc/69/06/25/269690625.db2.gz NTIHHHCAWIOKKE-UHFFFAOYSA-N 1 2 337.814 3.488 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000246858358 141039655 /nfs/dbraw/zinc/03/96/55/141039655.db2.gz UFZJQBRWVKCPAO-WOJBJXKFSA-N 1 2 349.434 3.349 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000246858358 141039658 /nfs/dbraw/zinc/03/96/58/141039658.db2.gz UFZJQBRWVKCPAO-WOJBJXKFSA-N 1 2 349.434 3.349 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000338036074 141077541 /nfs/dbraw/zinc/07/75/41/141077541.db2.gz PNMFZZPWOOZQIU-UHFFFAOYSA-N 1 2 348.450 3.419 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3c(F)cc(C#N)cc3F)CC2)cc1 ZINC000354691065 141320444 /nfs/dbraw/zinc/32/04/44/141320444.db2.gz NSRPDQHYFBTAKZ-UHFFFAOYSA-N 1 2 338.361 3.030 20 30 EGEDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000341090541 155153088 /nfs/dbraw/zinc/15/30/88/155153088.db2.gz BKOBMTOOFSQYCI-MEDUHNTESA-N 1 2 345.349 3.037 20 30 EGEDLO Cc1ccc(OC2CC[NH+](CC(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000116883199 152080075 /nfs/dbraw/zinc/08/00/75/152080075.db2.gz FHFVIWOCPJODNL-UHFFFAOYSA-N 1 2 349.434 3.349 20 30 EGEDLO N#Cc1cccc(OC2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)c1 ZINC000120942429 152313186 /nfs/dbraw/zinc/31/31/86/152313186.db2.gz NXZCSEMTXGNUSK-UHFFFAOYSA-N 1 2 332.407 3.478 20 30 EGEDLO N#Cc1ccc(CNc2ccccc2C[NH+]2CCOCC2)cc1F ZINC000190351643 153134168 /nfs/dbraw/zinc/13/41/68/153134168.db2.gz ZPWAUNTVBYGQFS-UHFFFAOYSA-N 1 2 325.387 3.142 20 30 EGEDLO C[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccc(Cl)s1 ZINC000349141541 156365030 /nfs/dbraw/zinc/36/50/30/156365030.db2.gz FMICGSNVOAXTSB-UHFFFAOYSA-N 1 2 333.844 3.021 20 30 EGEDLO C[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccc(Cl)s1 ZINC000349141541 156365036 /nfs/dbraw/zinc/36/50/36/156365036.db2.gz FMICGSNVOAXTSB-UHFFFAOYSA-N 1 2 333.844 3.021 20 30 EGEDLO N#Cc1ccccc1COc1cccc(C(=O)Nc2cc[nH+]cc2O)c1 ZINC000109891488 162113997 /nfs/dbraw/zinc/11/39/97/162113997.db2.gz IZLZDLBRJIQUBI-UHFFFAOYSA-N 1 2 345.358 3.490 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C(=O)c3cccs3)CC2)c1 ZINC000112351654 162172377 /nfs/dbraw/zinc/17/23/77/162172377.db2.gz GINYSJWWKPQDNX-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)c3cccs3)CC2)c1 ZINC000112351654 162172382 /nfs/dbraw/zinc/17/23/82/162172382.db2.gz GINYSJWWKPQDNX-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000126362940 162301558 /nfs/dbraw/zinc/30/15/58/162301558.db2.gz PYCWAOCECSDKMY-UHFFFAOYSA-N 1 2 330.391 3.036 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000126362940 162301562 /nfs/dbraw/zinc/30/15/62/162301562.db2.gz PYCWAOCECSDKMY-UHFFFAOYSA-N 1 2 330.391 3.036 20 30 EGEDLO COc1cc(N2CC[NH+](Cc3ccccc3C#N)CC2)ccc1F ZINC000338631088 163297640 /nfs/dbraw/zinc/29/76/40/163297640.db2.gz DAGXOQIKVPMEAF-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO Cc1cccn2cc(CNc3nc4cc(Cl)ccn4c3C#N)[nH+]c12 ZINC000342558320 163909676 /nfs/dbraw/zinc/90/96/76/163909676.db2.gz QLONSFWDDNZQII-UHFFFAOYSA-N 1 2 336.786 3.428 20 30 EGEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000343733801 164022090 /nfs/dbraw/zinc/02/20/90/164022090.db2.gz DUZKHBVRXPHHPM-SFHVURJKSA-N 1 2 336.439 3.002 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3cncc(F)c3)CC2)c(Cl)c1 ZINC000343761040 164029358 /nfs/dbraw/zinc/02/93/58/164029358.db2.gz CKFPKLJHGGEOPW-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1nc2ccccc2o1 ZINC000346494165 164386579 /nfs/dbraw/zinc/38/65/79/164386579.db2.gz RFYJXOXTHVBVIL-ZDUSSCGKSA-N 1 2 334.379 3.158 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1nc2ccccc2o1 ZINC000346494165 164386580 /nfs/dbraw/zinc/38/65/80/164386580.db2.gz RFYJXOXTHVBVIL-ZDUSSCGKSA-N 1 2 334.379 3.158 20 30 EGEDLO N#Cc1ccc(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)cc1 ZINC000352141632 165255749 /nfs/dbraw/zinc/25/57/49/165255749.db2.gz SRJJJTBFBCVFFW-UHFFFAOYSA-N 1 2 336.782 3.327 20 30 EGEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cc(C#N)ccc2Cl)C1 ZINC000367537886 168239440 /nfs/dbraw/zinc/23/94/40/168239440.db2.gz JTVOIMCSFWHXAY-AWEZNQCLSA-N 1 2 342.830 3.040 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c1F ZINC000411975307 270046714 /nfs/dbraw/zinc/04/67/14/270046714.db2.gz BJLZTTBHZDUUST-FQEVSTJZSA-N 1 2 336.366 3.307 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c1F ZINC000411975307 270046715 /nfs/dbraw/zinc/04/67/15/270046715.db2.gz BJLZTTBHZDUUST-FQEVSTJZSA-N 1 2 336.366 3.307 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+](Cc2ccccn2)C(C)C)c(C#N)c1C ZINC000533243495 270060649 /nfs/dbraw/zinc/06/06/49/270060649.db2.gz PPXUGWLMSHHLSB-UHFFFAOYSA-N 1 2 326.400 3.012 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+](Cc2ccccn2)C(C)C)c(C#N)c1C ZINC000533243495 270060650 /nfs/dbraw/zinc/06/06/50/270060650.db2.gz PPXUGWLMSHHLSB-UHFFFAOYSA-N 1 2 326.400 3.012 20 30 EGEDLO Cc1cc(NC(=O)c2occc2COc2cccc(C#N)c2)c(C)c[nH+]1 ZINC000534299661 270061425 /nfs/dbraw/zinc/06/14/25/270061425.db2.gz DYAGMOWTLAQCFO-UHFFFAOYSA-N 1 2 347.374 3.416 20 30 EGEDLO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1nnc2n1CCCCC2 ZINC000269414121 266289320 /nfs/dbraw/zinc/28/93/20/266289320.db2.gz JVUKXAYHMHKBEP-MRXNPFEDSA-N 1 2 327.407 3.256 20 30 EGEDLO CC[C@@](C)([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1nccs1 ZINC000269644874 266390769 /nfs/dbraw/zinc/39/07/69/266390769.db2.gz OWXDFIVGTHUIKB-MRXNPFEDSA-N 1 2 332.429 3.078 20 30 EGEDLO C[C@@H](c1ccccc1F)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000298757503 267002688 /nfs/dbraw/zinc/00/26/88/267002688.db2.gz JOANSONLPJDXTN-AWEZNQCLSA-N 1 2 325.387 3.007 20 30 EGEDLO C[C@@H](c1ccccc1F)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000298757503 267002691 /nfs/dbraw/zinc/00/26/91/267002691.db2.gz JOANSONLPJDXTN-AWEZNQCLSA-N 1 2 325.387 3.007 20 30 EGEDLO C[C@@H]1CN(c2ccc(CNc3cccc(Cl)c3C#N)c[nH+]2)CCO1 ZINC000298688341 267063937 /nfs/dbraw/zinc/06/39/37/267063937.db2.gz CBVNFPXKDYOOGJ-CYBMUJFWSA-N 1 2 342.830 3.444 20 30 EGEDLO C[C@H](Cn1cc[nH+]c1)Nc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000279965917 267168882 /nfs/dbraw/zinc/16/88/82/267168882.db2.gz CRALGUBUDROSCP-CQSZACIVSA-N 1 2 334.427 3.181 20 30 EGEDLO CCOc1ccccc1N1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000469027455 267175861 /nfs/dbraw/zinc/17/58/61/267175861.db2.gz SBRUNGHWFHJDTF-UHFFFAOYSA-N 1 2 339.414 3.418 20 30 EGEDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000492531457 267257461 /nfs/dbraw/zinc/25/74/61/267257461.db2.gz IZDMVJWUMUFLJE-WAYWQWQTSA-N 1 2 334.301 3.445 20 30 EGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1ccc(C#N)s1 ZINC000487548683 267325487 /nfs/dbraw/zinc/32/54/87/267325487.db2.gz FEJIYJVPLBZXKG-UHFFFAOYSA-N 1 2 336.420 3.137 20 30 EGEDLO Cc1ccc(C#N)c(N2CC[NH+](Cc3nc4ccccc4s3)CC2)n1 ZINC000286321296 267374884 /nfs/dbraw/zinc/37/48/84/267374884.db2.gz UUDZMLOHKVEZJD-UHFFFAOYSA-N 1 2 349.463 3.194 20 30 EGEDLO C[C@H](c1ccccn1)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000277809883 267873278 /nfs/dbraw/zinc/87/32/78/267873278.db2.gz PYPNKAYLCNQTOD-CQSZACIVSA-N 1 2 326.831 3.490 20 30 EGEDLO N#Cc1c(F)cccc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000188870587 267954595 /nfs/dbraw/zinc/95/45/95/267954595.db2.gz MSXQFKDEIPVISM-VMPITWQZSA-N 1 2 349.409 3.169 20 30 EGEDLO N#Cc1ccnc(NCc2cc[nH+]c(N3CCCCC3)c2)c1Cl ZINC000429191841 268194776 /nfs/dbraw/zinc/19/47/76/268194776.db2.gz YKVXNXZHOHNJEO-UHFFFAOYSA-N 1 2 327.819 3.026 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCOCC23CCCC3)c(Br)c1 ZINC000481087354 268220794 /nfs/dbraw/zinc/22/07/94/268220794.db2.gz FKAUZRLEEXAXID-UHFFFAOYSA-N 1 2 335.245 3.466 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCOCC23CCCC3)c(Br)c1 ZINC000481087354 268220795 /nfs/dbraw/zinc/22/07/95/268220795.db2.gz FKAUZRLEEXAXID-UHFFFAOYSA-N 1 2 335.245 3.466 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccccc3C#N)CC2)c(Cl)c1 ZINC000444758128 268234486 /nfs/dbraw/zinc/23/44/86/268234486.db2.gz BSXUILLAUMZTMA-UHFFFAOYSA-N 1 2 336.826 3.406 20 30 EGEDLO N#Cc1ccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000426162103 268243583 /nfs/dbraw/zinc/24/35/83/268243583.db2.gz OVWNXYYMYBFHCT-CQSZACIVSA-N 1 2 342.786 3.292 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)c1 ZINC000278906915 275286514 /nfs/dbraw/zinc/28/65/14/275286514.db2.gz SHYFTCRJDONZJH-HNNXBMFYSA-N 1 2 329.350 3.275 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)c1 ZINC000278906915 275286515 /nfs/dbraw/zinc/28/65/15/275286515.db2.gz SHYFTCRJDONZJH-HNNXBMFYSA-N 1 2 329.350 3.275 20 30 EGEDLO CCN1CCN(c2c(C#N)cnc3ccc(C)cc32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000368647704 276202207 /nfs/dbraw/zinc/20/22/07/276202207.db2.gz OMDNCFBXQQHRQT-GOSISDBHSA-N 1 2 346.438 3.021 20 30 EGEDLO CCN1CCN(c2c(C#N)cnc3ccc(C)cc32)C[C@H]1c1[nH]cc[nH+]1 ZINC000368647705 276202440 /nfs/dbraw/zinc/20/24/40/276202440.db2.gz OMDNCFBXQQHRQT-SFHVURJKSA-N 1 2 346.438 3.021 20 30 EGEDLO Cc1ccc(C#N)cc1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000058453139 307348907 /nfs/dbraw/zinc/34/89/07/307348907.db2.gz UPKGYTCSKCIYCS-UHFFFAOYSA-N 1 2 335.411 3.184 20 30 EGEDLO COC(=O)c1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1C#N ZINC000538176475 314230719 /nfs/dbraw/zinc/23/07/19/314230719.db2.gz LHCRZJRLYXGGJQ-GFCCVEGCSA-N 1 2 339.351 3.104 20 30 EGEDLO N#Cc1cnc2c(F)ccc(Cl)c2c1NCCCCn1cc[nH+]c1 ZINC000538707203 314267928 /nfs/dbraw/zinc/26/79/28/314267928.db2.gz ZMSGTEGFQXCGHP-UHFFFAOYSA-N 1 2 343.793 3.410 20 30 EGEDLO N#Cc1cc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)ccc1Cl ZINC000543636453 314642417 /nfs/dbraw/zinc/64/24/17/314642417.db2.gz AGBKCVDAPVMASY-UHFFFAOYSA-N 1 2 336.782 3.327 20 30 EGEDLO C[N@H+](CCC(F)(F)F)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000101731053 454481189 /nfs/dbraw/zinc/48/11/89/454481189.db2.gz XGHLEEDHEPQNLI-UHFFFAOYSA-N 1 2 347.768 3.471 20 30 EGEDLO C[N@@H+](CCC(F)(F)F)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000101731053 454481203 /nfs/dbraw/zinc/48/12/03/454481203.db2.gz XGHLEEDHEPQNLI-UHFFFAOYSA-N 1 2 347.768 3.471 20 30 EGEDLO N#Cc1ccncc1N1CC[NH+](Cc2cccc(F)c2Cl)CC1 ZINC000555527375 315387723 /nfs/dbraw/zinc/38/77/23/315387723.db2.gz DAUHQEXLQOILRF-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO C[C@@H]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000570204352 317022018 /nfs/dbraw/zinc/02/20/18/317022018.db2.gz RLWNXIJZKKGBFB-WBMJQRKESA-N 1 2 328.803 3.131 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000578929406 325037083 /nfs/dbraw/zinc/03/70/83/325037083.db2.gz ULBXISZGCUWPPF-AWEZNQCLSA-N 1 2 347.418 3.138 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000578929406 325037089 /nfs/dbraw/zinc/03/70/89/325037089.db2.gz ULBXISZGCUWPPF-AWEZNQCLSA-N 1 2 347.418 3.138 20 30 EGEDLO CN(C(=O)Cc1cccc(C#N)c1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000579747910 325154231 /nfs/dbraw/zinc/15/42/31/325154231.db2.gz CWUZPUBWKCKACJ-LJQANCHMSA-N 1 2 330.391 3.072 20 30 EGEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1cc(Br)ccc1Cl ZINC000494244025 458646237 /nfs/dbraw/zinc/64/62/37/458646237.db2.gz FXGYHFMQJMCZPB-JTQLQIEISA-N 1 2 345.668 3.225 20 30 EGEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1cc(Br)ccc1Cl ZINC000494244025 458646245 /nfs/dbraw/zinc/64/62/45/458646245.db2.gz FXGYHFMQJMCZPB-JTQLQIEISA-N 1 2 345.668 3.225 20 30 EGEDLO CC(C)(C#N)CCCO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000158124124 455272114 /nfs/dbraw/zinc/27/21/14/455272114.db2.gz BIJUOCITFPICIU-UHFFFAOYSA-N 1 2 329.448 3.039 20 30 EGEDLO C=CCNC(=O)CSc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000006158450 452925436 /nfs/dbraw/zinc/92/54/36/452925436.db2.gz PXPIRDGLOKFLFD-UHFFFAOYSA-N 1 2 348.431 3.430 20 30 EGEDLO COC(=O)C1CCN(c2ccc(-c3ccc(F)c(C#N)c3)c[nH+]2)CC1 ZINC000600781197 460602258 /nfs/dbraw/zinc/60/22/58/460602258.db2.gz BILQECJSPALZSK-UHFFFAOYSA-N 1 2 339.370 3.149 20 30 EGEDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(C#N)cc1F ZINC000027130188 453811480 /nfs/dbraw/zinc/81/14/80/453811480.db2.gz NOGDLUOOKLECOR-UHFFFAOYSA-N 1 2 341.386 3.167 20 30 EGEDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(C#N)cc1F ZINC000027130188 453811484 /nfs/dbraw/zinc/81/14/84/453811484.db2.gz NOGDLUOOKLECOR-UHFFFAOYSA-N 1 2 341.386 3.167 20 30 EGEDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000028742992 453824514 /nfs/dbraw/zinc/82/45/14/453824514.db2.gz KWZJERSMKRFMSV-AWEZNQCLSA-N 1 2 349.463 3.446 20 30 EGEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c1 ZINC000029445966 453829007 /nfs/dbraw/zinc/82/90/07/453829007.db2.gz PXSFYRBMYYSLEY-UHFFFAOYSA-N 1 2 346.356 3.294 20 30 EGEDLO Cc1cc(N2CCN(c3cccc(F)c3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000029843347 453832053 /nfs/dbraw/zinc/83/20/53/453832053.db2.gz YVJQPTSLPHCNBR-UHFFFAOYSA-N 1 2 339.418 3.246 20 30 EGEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029918127 453832792 /nfs/dbraw/zinc/83/27/92/453832792.db2.gz BMWPSUKCMRYIBV-AWEZNQCLSA-N 1 2 332.363 3.150 20 30 EGEDLO COc1cc2c(cc1OC)C[N@H+](Cc1ccc(C#N)cc1F)CC2 ZINC000030676273 453837562 /nfs/dbraw/zinc/83/75/62/453837562.db2.gz OGKBICOEAYJWID-UHFFFAOYSA-N 1 2 326.371 3.273 20 30 EGEDLO COc1cc2c(cc1OC)C[N@@H+](Cc1ccc(C#N)cc1F)CC2 ZINC000030676273 453837563 /nfs/dbraw/zinc/83/75/63/453837563.db2.gz OGKBICOEAYJWID-UHFFFAOYSA-N 1 2 326.371 3.273 20 30 EGEDLO N#CCc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000032045046 453862686 /nfs/dbraw/zinc/86/26/86/453862686.db2.gz CNLCGRQIIXRKGB-UHFFFAOYSA-N 1 2 347.334 3.099 20 30 EGEDLO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2nccs2)c1C ZINC000184415936 455378534 /nfs/dbraw/zinc/37/85/34/455378534.db2.gz JADLORFYWFXGHX-HNNXBMFYSA-N 1 2 342.468 3.357 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081514641 453879944 /nfs/dbraw/zinc/87/99/44/453879944.db2.gz QYJKWLJXWGSOJK-CQSZACIVSA-N 1 2 333.863 3.485 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081514641 453879946 /nfs/dbraw/zinc/87/99/46/453879946.db2.gz QYJKWLJXWGSOJK-CQSZACIVSA-N 1 2 333.863 3.485 20 30 EGEDLO C=CCN(CC=C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000054008458 453904894 /nfs/dbraw/zinc/90/48/94/453904894.db2.gz WKJHISZPWFGBIR-MRXNPFEDSA-N 1 2 328.391 3.032 20 30 EGEDLO CCc1cccc(C)c1NC(=O)CO[NH+]=C(N)c1ccc(C)c(F)c1 ZINC000054269643 453919722 /nfs/dbraw/zinc/91/97/22/453919722.db2.gz VNDZLCCZPVZXMK-UHFFFAOYSA-N 1 2 343.402 3.281 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)N1CCc2ccccc21 ZINC000076153329 453971899 /nfs/dbraw/zinc/97/18/99/453971899.db2.gz CJDHZIYTXIZHBB-FPOVZHCZSA-N 1 2 345.446 3.347 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2ccccc21 ZINC000076153329 453971900 /nfs/dbraw/zinc/97/19/00/453971900.db2.gz CJDHZIYTXIZHBB-FPOVZHCZSA-N 1 2 345.446 3.347 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CC)Cc1ccc(Cl)s1 ZINC000076606251 454019128 /nfs/dbraw/zinc/01/91/28/454019128.db2.gz YQLKEJFELNLTCT-LBPRGKRZSA-N 1 2 327.881 3.232 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC)Cc1ccc(Cl)s1 ZINC000076606251 454019131 /nfs/dbraw/zinc/01/91/31/454019131.db2.gz YQLKEJFELNLTCT-LBPRGKRZSA-N 1 2 327.881 3.232 20 30 EGEDLO N#CC1CC[NH+](Cc2ccc(I)cc2)CC1 ZINC000088174643 454090149 /nfs/dbraw/zinc/09/01/49/454090149.db2.gz YHDKZMMQFBDCCM-UHFFFAOYSA-N 1 2 326.181 3.027 20 30 EGEDLO CC(=O)Nc1cccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c1 ZINC000088524687 454110236 /nfs/dbraw/zinc/11/02/36/454110236.db2.gz ROLNTUUOYHCPKD-OAQYLSRUSA-N 1 2 348.450 3.027 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000045029428 454134384 /nfs/dbraw/zinc/13/43/84/454134384.db2.gz DRNDQQJHTJWUDG-QGZVFWFLSA-N 1 2 349.369 3.342 20 30 EGEDLO C[C@@H](NC(=O)C[NH+]1CCC(C#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000057907087 454156089 /nfs/dbraw/zinc/15/60/89/454156089.db2.gz PRLWHBBOVPZZKR-LLVKDONJSA-N 1 2 340.254 3.406 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000070694914 454171127 /nfs/dbraw/zinc/17/11/27/454171127.db2.gz XAXWSJLJJLGKPI-GQIGUUNPSA-N 1 2 349.434 3.347 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000070694914 454171133 /nfs/dbraw/zinc/17/11/33/454171133.db2.gz XAXWSJLJJLGKPI-GQIGUUNPSA-N 1 2 349.434 3.347 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)s1 ZINC000046171343 454225195 /nfs/dbraw/zinc/22/51/95/454225195.db2.gz QDMKXSVSSQUPRI-IAQYHMDHSA-N 1 2 327.881 3.276 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000046171343 454225198 /nfs/dbraw/zinc/22/51/98/454225198.db2.gz QDMKXSVSSQUPRI-IAQYHMDHSA-N 1 2 327.881 3.276 20 30 EGEDLO CCC[N@@H+](CC#N)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000058909584 454242747 /nfs/dbraw/zinc/24/27/47/454242747.db2.gz JOZNOVITPCDAHA-UHFFFAOYSA-N 1 2 330.457 3.063 20 30 EGEDLO CCC[N@H+](CC#N)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000058909584 454242754 /nfs/dbraw/zinc/24/27/54/454242754.db2.gz JOZNOVITPCDAHA-UHFFFAOYSA-N 1 2 330.457 3.063 20 30 EGEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000046342046 454242903 /nfs/dbraw/zinc/24/29/03/454242903.db2.gz SAXNXDMTMZVHJQ-HOTGVXAUSA-N 1 2 349.434 3.420 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120117959 454260403 /nfs/dbraw/zinc/26/04/03/454260403.db2.gz KBSXXHXXZCUKFL-LBPRGKRZSA-N 1 2 330.819 3.009 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120117959 454260409 /nfs/dbraw/zinc/26/04/09/454260409.db2.gz KBSXXHXXZCUKFL-LBPRGKRZSA-N 1 2 330.819 3.009 20 30 EGEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000072938925 454367010 /nfs/dbraw/zinc/36/70/10/454367010.db2.gz QVUDXQITBCUEJF-UHFFFAOYSA-N 1 2 328.412 3.341 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)Nc1cccc(C#N)c1 ZINC000047705372 454402271 /nfs/dbraw/zinc/40/22/71/454402271.db2.gz ZGXBTSSIVFAGOU-UHFFFAOYSA-N 1 2 333.395 3.428 20 30 EGEDLO C=CC[N@@H+](C)CC(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1 ZINC000121211092 454405879 /nfs/dbraw/zinc/40/58/79/454405879.db2.gz FXGKEPCJBCNYEE-UHFFFAOYSA-N 1 2 331.441 3.183 20 30 EGEDLO C=CC[N@H+](C)CC(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1 ZINC000121211092 454405883 /nfs/dbraw/zinc/40/58/83/454405883.db2.gz FXGKEPCJBCNYEE-UHFFFAOYSA-N 1 2 331.441 3.183 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+](C)Cc2cccc(F)c2)c(C#N)c1C ZINC000098072178 454451914 /nfs/dbraw/zinc/45/19/14/454451914.db2.gz WVBYAZHUOJPKTP-UHFFFAOYSA-N 1 2 331.416 3.446 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+](C)Cc2cccc(F)c2)c(C#N)c1C ZINC000098072178 454451921 /nfs/dbraw/zinc/45/19/21/454451921.db2.gz WVBYAZHUOJPKTP-UHFFFAOYSA-N 1 2 331.416 3.446 20 30 EGEDLO CC[N@@H+](CC(=O)NCC1(c2ccccc2)CCCC1)C[C@@H](C)C#N ZINC000064248680 454470341 /nfs/dbraw/zinc/47/03/41/454470341.db2.gz QJHCDDPKOWJWPE-KRWDZBQOSA-N 1 2 327.472 3.096 20 30 EGEDLO CC[N@H+](CC(=O)NCC1(c2ccccc2)CCCC1)C[C@@H](C)C#N ZINC000064248680 454470348 /nfs/dbraw/zinc/47/03/48/454470348.db2.gz QJHCDDPKOWJWPE-KRWDZBQOSA-N 1 2 327.472 3.096 20 30 EGEDLO N#CCSc1cccc(C(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000079806291 454482394 /nfs/dbraw/zinc/48/23/94/454482394.db2.gz DZQKGJNNZJNIMD-UHFFFAOYSA-N 1 2 340.452 3.319 20 30 EGEDLO N#Cc1csc(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)c1 ZINC000092149324 454528777 /nfs/dbraw/zinc/52/87/77/454528777.db2.gz IMIVUJMBMDZUGW-UHFFFAOYSA-N 1 2 331.466 3.029 20 30 EGEDLO N#Cc1csc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)c1 ZINC000092149324 454528782 /nfs/dbraw/zinc/52/87/82/454528782.db2.gz IMIVUJMBMDZUGW-UHFFFAOYSA-N 1 2 331.466 3.029 20 30 EGEDLO N#CCCCOc1cccc(C[N@H+]2CCNC(=O)[C@@H]2c2ccccc2)c1 ZINC000092675350 454608253 /nfs/dbraw/zinc/60/82/53/454608253.db2.gz QOHBJBXSLQEYNQ-FQEVSTJZSA-N 1 2 349.434 3.042 20 30 EGEDLO N#CCCCOc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2c2ccccc2)c1 ZINC000092675350 454608255 /nfs/dbraw/zinc/60/82/55/454608255.db2.gz QOHBJBXSLQEYNQ-FQEVSTJZSA-N 1 2 349.434 3.042 20 30 EGEDLO N#Cc1ccc(N2CCC(n3cc[nH+]c3)CC2)c(Br)c1 ZINC000123461114 454640690 /nfs/dbraw/zinc/64/06/90/454640690.db2.gz XXSPYMZTHPAPTJ-UHFFFAOYSA-N 1 2 331.217 3.359 20 30 EGEDLO C=CCCO[C@H](C)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000066316879 454683843 /nfs/dbraw/zinc/68/38/43/454683843.db2.gz LNCIVZVYOONICP-MRXNPFEDSA-N 1 2 331.460 3.059 20 30 EGEDLO CC[C@@]1(C)C[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)CCO1 ZINC000135665863 454696781 /nfs/dbraw/zinc/69/67/81/454696781.db2.gz OMQKHIAVTMFADR-FQEVSTJZSA-N 1 2 343.471 3.051 20 30 EGEDLO CC[C@@]1(C)C[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)CCO1 ZINC000135665863 454696784 /nfs/dbraw/zinc/69/67/84/454696784.db2.gz OMQKHIAVTMFADR-FQEVSTJZSA-N 1 2 343.471 3.051 20 30 EGEDLO C[C@@H]1CCN(C(=O)c2cccc(SCC#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000124191947 454705246 /nfs/dbraw/zinc/70/52/46/454705246.db2.gz SGMNFVXIGJJOMO-RHSMWYFYSA-N 1 2 340.452 3.222 20 30 EGEDLO CC[N@H+](Cc1ccccc1Cl)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000153588958 454810131 /nfs/dbraw/zinc/81/01/31/454810131.db2.gz FBFJDILJQZIEDM-KRWDZBQOSA-N 1 2 327.815 3.260 20 30 EGEDLO CC[N@@H+](Cc1ccccc1Cl)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000153588958 454810133 /nfs/dbraw/zinc/81/01/33/454810133.db2.gz FBFJDILJQZIEDM-KRWDZBQOSA-N 1 2 327.815 3.260 20 30 EGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)OC(C)(C)C2)c1C ZINC000140557812 454821423 /nfs/dbraw/zinc/82/14/23/454821423.db2.gz KJDLKIMAOIGIME-INIZCTEOSA-N 1 2 343.471 3.049 20 30 EGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)OC(C)(C)C2)c1C ZINC000140557812 454821427 /nfs/dbraw/zinc/82/14/27/454821427.db2.gz KJDLKIMAOIGIME-INIZCTEOSA-N 1 2 343.471 3.049 20 30 EGEDLO N#CC1CC[NH+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000141959389 454832650 /nfs/dbraw/zinc/83/26/50/454832650.db2.gz LLQATNLNEKXWTF-FQEVSTJZSA-N 1 2 325.456 3.270 20 30 EGEDLO CC#CC[NH+]1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000163503723 454851916 /nfs/dbraw/zinc/85/19/16/454851916.db2.gz PSTCITMBWXYFJK-UHFFFAOYSA-N 1 2 348.490 3.434 20 30 EGEDLO COc1ccc(CC(N)=[NH+]OCc2nc(C(F)(F)F)cs2)cc1 ZINC000154263503 454879285 /nfs/dbraw/zinc/87/92/85/454879285.db2.gz ITRWCVQNEYHTPV-UHFFFAOYSA-N 1 2 345.346 3.202 20 30 EGEDLO C#CCC(C)(C)C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000184994591 455484244 /nfs/dbraw/zinc/48/42/44/455484244.db2.gz XUQHTFKRZFGHSA-UHFFFAOYSA-N 1 2 335.451 3.060 20 30 EGEDLO CCCOc1ccc(/C=[NH+]/CC2(C(=O)N(C)C)CCCC2)c(O)c1 ZINC000113006280 454911259 /nfs/dbraw/zinc/91/12/59/454911259.db2.gz WKYIFJPNZWXYNP-DEDYPNTBSA-N 1 2 332.444 3.249 20 30 EGEDLO CC[N@H+](CC#Cc1ccc(F)cc1)CC(=O)Nc1c(F)cccc1F ZINC000178679353 454966966 /nfs/dbraw/zinc/96/69/66/454966966.db2.gz OCYPQURNSXAIFW-UHFFFAOYSA-N 1 2 346.352 3.416 20 30 EGEDLO CC[N@@H+](CC#Cc1ccc(F)cc1)CC(=O)Nc1c(F)cccc1F ZINC000178679353 454966972 /nfs/dbraw/zinc/96/69/72/454966972.db2.gz OCYPQURNSXAIFW-UHFFFAOYSA-N 1 2 346.352 3.416 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000116325487 455051888 /nfs/dbraw/zinc/05/18/88/455051888.db2.gz FIBLDKHNBBEKAD-FUHWJXTLSA-N 1 2 345.512 3.093 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000116325487 455051891 /nfs/dbraw/zinc/05/18/91/455051891.db2.gz FIBLDKHNBBEKAD-FUHWJXTLSA-N 1 2 345.512 3.093 20 30 EGEDLO CC(C)(CCC#N)C[NH2+]c1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000156114846 455082610 /nfs/dbraw/zinc/08/26/10/455082610.db2.gz MYSFRIKUOLXTSM-UHFFFAOYSA-N 1 2 334.851 3.018 20 30 EGEDLO C=CCNc1ncc(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)s1 ZINC000129423123 455111087 /nfs/dbraw/zinc/11/10/87/455111087.db2.gz QHHKSUJYYUKJCY-UHFFFAOYSA-N 1 2 327.413 3.188 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(Cl)c3F)CC2)nc1 ZINC000179988625 455112115 /nfs/dbraw/zinc/11/21/15/455112115.db2.gz HKSWTFTZFDOXSZ-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cccc(CC#N)c1 ZINC000172460635 455155682 /nfs/dbraw/zinc/15/56/82/455155682.db2.gz XKBFKABBTQFBED-UHFFFAOYSA-N 1 2 349.434 3.146 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCSC[C@@H]1C ZINC000172587581 455163323 /nfs/dbraw/zinc/16/33/23/455163323.db2.gz PNEAGJIJFAPVCR-KBPBESRZSA-N 1 2 349.525 3.457 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCSC[C@@H]1C ZINC000172587581 455163324 /nfs/dbraw/zinc/16/33/24/455163324.db2.gz PNEAGJIJFAPVCR-KBPBESRZSA-N 1 2 349.525 3.457 20 30 EGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCSC[C@H]1C ZINC000172587585 455163406 /nfs/dbraw/zinc/16/34/06/455163406.db2.gz JATNAOCYTJLMBM-UONOGXRCSA-N 1 2 349.525 3.314 20 30 EGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCSC[C@H]1C ZINC000172587585 455163408 /nfs/dbraw/zinc/16/34/08/455163408.db2.gz JATNAOCYTJLMBM-UONOGXRCSA-N 1 2 349.525 3.314 20 30 EGEDLO C[C@H]1CCc2c(sc3nc(C[NH+]4CCC(C#N)CC4)nc(N)c23)C1 ZINC000180455239 455172844 /nfs/dbraw/zinc/17/28/44/455172844.db2.gz JUYHOUYUCJXLBT-NSHDSACASA-N 1 2 341.484 3.134 20 30 EGEDLO COc1ccccc1C[N@@H+](CC#Cc1cccc(Cl)c1)CCO ZINC000158215578 455281346 /nfs/dbraw/zinc/28/13/46/455281346.db2.gz OFDOFJDEJGWFGV-UHFFFAOYSA-N 1 2 329.827 3.195 20 30 EGEDLO COc1ccccc1C[N@H+](CC#Cc1cccc(Cl)c1)CCO ZINC000158215578 455281350 /nfs/dbraw/zinc/28/13/50/455281350.db2.gz OFDOFJDEJGWFGV-UHFFFAOYSA-N 1 2 329.827 3.195 20 30 EGEDLO C=C(C)C[N@@H+](C)[C@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 ZINC000181289570 455313777 /nfs/dbraw/zinc/31/37/77/455313777.db2.gz QHZIKXVBUMYZDV-LLVKDONJSA-N 1 2 349.456 3.039 20 30 EGEDLO C=C(C)C[N@H+](C)[C@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 ZINC000181289570 455313783 /nfs/dbraw/zinc/31/37/83/455313783.db2.gz QHZIKXVBUMYZDV-LLVKDONJSA-N 1 2 349.456 3.039 20 30 EGEDLO CC(C)(C#N)C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000612585122 460669485 /nfs/dbraw/zinc/66/94/85/460669485.db2.gz OTIQOBJGBXDZQR-UHFFFAOYSA-N 1 2 333.233 3.479 20 30 EGEDLO CCc1nc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)cs1 ZINC000184715754 455435518 /nfs/dbraw/zinc/43/55/18/455435518.db2.gz LVDDGUQORMGCRK-AWEZNQCLSA-N 1 2 342.468 3.303 20 30 EGEDLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)o1 ZINC000184775578 455446677 /nfs/dbraw/zinc/44/66/77/455446677.db2.gz WZSUTPQRDWHURQ-DYVFJYSZSA-N 1 2 341.411 3.018 20 30 EGEDLO C[C@H]1C[N@H+](Cc2cc(F)ccc2C#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000268270717 455636779 /nfs/dbraw/zinc/63/67/79/455636779.db2.gz CFOGDCRUYHJDMG-GUYCJALGSA-N 1 2 347.434 3.432 20 30 EGEDLO C[C@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000268270717 455636784 /nfs/dbraw/zinc/63/67/84/455636784.db2.gz CFOGDCRUYHJDMG-GUYCJALGSA-N 1 2 347.434 3.432 20 30 EGEDLO CCc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3C)CC2)cc1 ZINC000186162048 455707200 /nfs/dbraw/zinc/70/72/00/455707200.db2.gz CHAIWQQDKJWRHX-UHFFFAOYSA-N 1 2 347.462 3.387 20 30 EGEDLO C[C@H](c1cc(F)ccc1F)[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000193460969 455759753 /nfs/dbraw/zinc/75/97/53/455759753.db2.gz HLINRYKVOGEWAQ-GFCCVEGCSA-N 1 2 329.350 3.468 20 30 EGEDLO C[C@H](c1cc(F)ccc1F)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000193460969 455759759 /nfs/dbraw/zinc/75/97/59/455759759.db2.gz HLINRYKVOGEWAQ-GFCCVEGCSA-N 1 2 329.350 3.468 20 30 EGEDLO N#C[C@]1(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC12CCCC2 ZINC000294356473 455812660 /nfs/dbraw/zinc/81/26/60/455812660.db2.gz GVRKZZMPTPRMFC-FQEVSTJZSA-N 1 2 338.455 3.162 20 30 EGEDLO COc1cc(/C=C\C(=O)Nc2ccc(C)[nH+]c2C)ccc1OCC#N ZINC000255617088 455871080 /nfs/dbraw/zinc/87/10/80/455871080.db2.gz IFVCYZGUJGKKLZ-TWGQIWQCSA-N 1 2 337.379 3.261 20 30 EGEDLO C/C=C\c1ccc(OC[C@H](O)C[N@H+](CC#N)C2CCCC2)c(OC)c1 ZINC000255658088 455871709 /nfs/dbraw/zinc/87/17/09/455871709.db2.gz DUWCBOHRQXZSIH-VDNIUXDYSA-N 1 2 344.455 3.236 20 30 EGEDLO C/C=C\c1ccc(OC[C@H](O)C[N@@H+](CC#N)C2CCCC2)c(OC)c1 ZINC000255658088 455871712 /nfs/dbraw/zinc/87/17/12/455871712.db2.gz DUWCBOHRQXZSIH-VDNIUXDYSA-N 1 2 344.455 3.236 20 30 EGEDLO CCc1cc(NS(=O)(=O)c2cccc(C#N)c2)c2ccccc2[nH+]1 ZINC000194680095 455873309 /nfs/dbraw/zinc/87/33/09/455873309.db2.gz HWBSATWZSZKARP-UHFFFAOYSA-N 1 2 337.404 3.470 20 30 EGEDLO N#CCCN(C(=O)C[N@@H+]1CCC=C(c2ccco2)C1)c1ccccc1 ZINC000285627361 455885098 /nfs/dbraw/zinc/88/50/98/455885098.db2.gz NPMKJCLGPUPYRH-UHFFFAOYSA-N 1 2 335.407 3.316 20 30 EGEDLO N#CCCN(C(=O)C[N@H+]1CCC=C(c2ccco2)C1)c1ccccc1 ZINC000285627361 455885100 /nfs/dbraw/zinc/88/51/00/455885100.db2.gz NPMKJCLGPUPYRH-UHFFFAOYSA-N 1 2 335.407 3.316 20 30 EGEDLO CC1(C)C[N@H+](CC(=O)Nc2sccc2C#N)Cc2ccccc21 ZINC000270388334 455945433 /nfs/dbraw/zinc/94/54/33/455945433.db2.gz RQRVLKRZDQIZEB-UHFFFAOYSA-N 1 2 325.437 3.352 20 30 EGEDLO CC1(C)C[N@@H+](CC(=O)Nc2sccc2C#N)Cc2ccccc21 ZINC000270388334 455945437 /nfs/dbraw/zinc/94/54/37/455945437.db2.gz RQRVLKRZDQIZEB-UHFFFAOYSA-N 1 2 325.437 3.352 20 30 EGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000272484755 455966766 /nfs/dbraw/zinc/96/67/66/455966766.db2.gz AFUUSUNPDTUHEP-KGLIPLIRSA-N 1 2 339.399 3.112 20 30 EGEDLO CC1(C#N)CC[NH+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)CC1 ZINC000272572447 455999586 /nfs/dbraw/zinc/99/95/86/455999586.db2.gz NCUQKSZDNMOEEL-UHFFFAOYSA-N 1 2 336.317 3.280 20 30 EGEDLO Cc1oc(C#N)cc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000280693105 456033527 /nfs/dbraw/zinc/03/35/27/456033527.db2.gz FYXQFFTWHNQCDD-UHFFFAOYSA-N 1 2 330.413 3.154 20 30 EGEDLO COc1cc[nH+]cc1COC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000286803020 456054422 /nfs/dbraw/zinc/05/44/22/456054422.db2.gz KFRFLHGHFAVKRS-UHFFFAOYSA-N 1 2 328.343 3.122 20 30 EGEDLO CC(=O)N1CC[N@H+](Cc2cc(F)ccc2C#N)CC12CCCCC2 ZINC000270884812 456059919 /nfs/dbraw/zinc/05/99/19/456059919.db2.gz OBGXLBQVUZCMJN-UHFFFAOYSA-N 1 2 329.419 3.064 20 30 EGEDLO CC(=O)N1CC[N@@H+](Cc2cc(F)ccc2C#N)CC12CCCCC2 ZINC000270884812 456059923 /nfs/dbraw/zinc/05/99/23/456059923.db2.gz OBGXLBQVUZCMJN-UHFFFAOYSA-N 1 2 329.419 3.064 20 30 EGEDLO Cc1ccccc1-n1cc(CNc2[nH+]cccc2OCCCC#N)nn1 ZINC000287555531 456072574 /nfs/dbraw/zinc/07/25/74/456072574.db2.gz CYERUTGDHNSEHG-UHFFFAOYSA-N 1 2 348.410 3.265 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2csc(-c3ccc(C)cc3)n2)C1=O ZINC000281232640 456173062 /nfs/dbraw/zinc/17/30/62/456173062.db2.gz LEMZPZWZOYLDMP-KRWDZBQOSA-N 1 2 341.480 3.337 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2csc(-c3ccc(C)cc3)n2)C1=O ZINC000281232640 456173070 /nfs/dbraw/zinc/17/30/70/456173070.db2.gz LEMZPZWZOYLDMP-KRWDZBQOSA-N 1 2 341.480 3.337 20 30 EGEDLO Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1[NH2+]CC(C)(C)CCC#N ZINC000281340349 456207319 /nfs/dbraw/zinc/20/73/19/456207319.db2.gz SRINAPFKYUKVSE-QGZVFWFLSA-N 1 2 329.444 3.346 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000263744281 456209025 /nfs/dbraw/zinc/20/90/25/456209025.db2.gz RQGDFEJQNVPQIN-MGPUTAFESA-N 1 2 349.434 3.131 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000263744281 456209035 /nfs/dbraw/zinc/20/90/35/456209035.db2.gz RQGDFEJQNVPQIN-MGPUTAFESA-N 1 2 349.434 3.131 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2coc(-c3ccc(Cl)cc3)n2)C1=O ZINC000281467026 456242425 /nfs/dbraw/zinc/24/24/25/456242425.db2.gz VRFZEZNRVRHGIO-INIZCTEOSA-N 1 2 345.830 3.214 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2coc(-c3ccc(Cl)cc3)n2)C1=O ZINC000281467026 456242428 /nfs/dbraw/zinc/24/24/28/456242428.db2.gz VRFZEZNRVRHGIO-INIZCTEOSA-N 1 2 345.830 3.214 20 30 EGEDLO Cc1cc[nH+]cc1CCCN1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000275226002 456271907 /nfs/dbraw/zinc/27/19/07/456271907.db2.gz KPNMFVIRYXPEMH-NRFANRHFSA-N 1 2 334.467 3.033 20 30 EGEDLO COC(=O)[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccc2c(c1)CCO2 ZINC000297780497 456293468 /nfs/dbraw/zinc/29/34/68/456293468.db2.gz WDUKJWWWOLYKQP-KRWDZBQOSA-N 1 2 330.428 3.145 20 30 EGEDLO Cc1ccc2[nH+]c(COc3cccc(C(=O)N(C)[C@@H](C)C#N)c3)cn2c1 ZINC000297838032 456305060 /nfs/dbraw/zinc/30/50/60/456305060.db2.gz RAFFVSUGLFTNSB-HNNXBMFYSA-N 1 2 348.406 3.206 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1CCCC[C@H]1CC ZINC000352796051 456316765 /nfs/dbraw/zinc/31/67/65/456316765.db2.gz FYIORMNNBWWBNT-IAGOWNOFSA-N 1 2 348.487 3.330 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1CCCC[C@H]1CC ZINC000352796051 456316774 /nfs/dbraw/zinc/31/67/74/456316774.db2.gz FYIORMNNBWWBNT-IAGOWNOFSA-N 1 2 348.487 3.330 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCc2ccccc2NC1=O ZINC000352803986 456323112 /nfs/dbraw/zinc/32/31/12/456323112.db2.gz PIDJSCVKWUXUHL-LJQANCHMSA-N 1 2 340.423 3.104 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCc2ccccc2NC1=O ZINC000352803986 456323116 /nfs/dbraw/zinc/32/31/16/456323116.db2.gz PIDJSCVKWUXUHL-LJQANCHMSA-N 1 2 340.423 3.104 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cn(C)nc1C(F)F ZINC000352819555 456334847 /nfs/dbraw/zinc/33/48/47/456334847.db2.gz WVYSEDZSZGWCTI-UHFFFAOYSA-N 1 2 325.359 3.021 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cn(C)nc1C(F)F ZINC000352819555 456334851 /nfs/dbraw/zinc/33/48/51/456334851.db2.gz WVYSEDZSZGWCTI-UHFFFAOYSA-N 1 2 325.359 3.021 20 30 EGEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000276349123 456453358 /nfs/dbraw/zinc/45/33/58/456453358.db2.gz VYNHSNAUGGCJBI-CYBMUJFWSA-N 1 2 339.361 3.155 20 30 EGEDLO N#CC[C@@H](CC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1 ZINC000343349125 456550175 /nfs/dbraw/zinc/55/01/75/456550175.db2.gz ZSUMVMLHMPBHPR-SFHVURJKSA-N 1 2 345.406 3.352 20 30 EGEDLO C=CCn1c(SCc2[nH+]ccn2C)nc2sc(C)c(C)c2c1=O ZINC000299077084 456599102 /nfs/dbraw/zinc/59/91/02/456599102.db2.gz ZPXMOXAVNLQRLG-UHFFFAOYSA-N 1 2 346.481 3.287 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000338003161 456650218 /nfs/dbraw/zinc/65/02/18/456650218.db2.gz YGLUFQOTZWAQFM-KRWDZBQOSA-N 1 2 348.450 3.419 20 30 EGEDLO N#CC1CC[NH+]([C@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC000299390142 456677875 /nfs/dbraw/zinc/67/78/75/456677875.db2.gz GFICKEMMVCELOC-FQEVSTJZSA-N 1 2 333.435 3.280 20 30 EGEDLO Cc1cc([C@@H]2CCCN2C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)on1 ZINC000328646236 456727711 /nfs/dbraw/zinc/72/77/11/456727711.db2.gz GRDHEXJZRJAMOA-GJZGRUSLSA-N 1 2 343.431 3.116 20 30 EGEDLO CCOC(=O)[C@H]1C[N@H+](Cc2cccc(C#N)c2F)Cc2ccccc21 ZINC000340889311 456742969 /nfs/dbraw/zinc/74/29/69/456742969.db2.gz STMGWYZHRBASLK-SFHVURJKSA-N 1 2 338.382 3.360 20 30 EGEDLO CCOC(=O)[C@H]1C[N@@H+](Cc2cccc(C#N)c2F)Cc2ccccc21 ZINC000340889311 456742974 /nfs/dbraw/zinc/74/29/74/456742974.db2.gz STMGWYZHRBASLK-SFHVURJKSA-N 1 2 338.382 3.360 20 30 EGEDLO C=CCN(CCC#N)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000291751402 456743674 /nfs/dbraw/zinc/74/36/74/456743674.db2.gz LRCRLOZJTGCWTC-AWEZNQCLSA-N 1 2 347.488 3.309 20 30 EGEDLO C=CCN(CCC#N)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000291751402 456743678 /nfs/dbraw/zinc/74/36/78/456743678.db2.gz LRCRLOZJTGCWTC-AWEZNQCLSA-N 1 2 347.488 3.309 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC[C@H](C3CC3)C1)C2 ZINC000329007960 456812869 /nfs/dbraw/zinc/81/28/69/456812869.db2.gz YOCGVNMYWVDHDX-GJZGRUSLSA-N 1 2 330.476 3.141 20 30 EGEDLO CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000329029440 456818843 /nfs/dbraw/zinc/81/88/43/456818843.db2.gz AOTPRXUBSFSYHD-FQEVSTJZSA-N 1 2 346.471 3.454 20 30 EGEDLO CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000329029440 456818847 /nfs/dbraw/zinc/81/88/47/456818847.db2.gz AOTPRXUBSFSYHD-FQEVSTJZSA-N 1 2 346.471 3.454 20 30 EGEDLO Cc1noc([C@@H]2CC[N@H+](CC(=O)NCc3ccc(Cl)s3)C2)n1 ZINC000329051727 456822350 /nfs/dbraw/zinc/82/23/50/456822350.db2.gz RLHQOYLRBZMEOP-SNVBAGLBSA-N 1 2 340.836 3.039 20 30 EGEDLO Cc1noc([C@@H]2CC[N@@H+](CC(=O)NCc3ccc(Cl)s3)C2)n1 ZINC000329051727 456822354 /nfs/dbraw/zinc/82/23/54/456822354.db2.gz RLHQOYLRBZMEOP-SNVBAGLBSA-N 1 2 340.836 3.039 20 30 EGEDLO CC(C)[C@H](NC(=O)C[N@@H+]1CCO[C@]2(CCCOC2)C1)c1ccccc1 ZINC000329073188 456829299 /nfs/dbraw/zinc/82/92/99/456829299.db2.gz OSGFSNPOSNPMLI-VQTJNVASSA-N 1 2 346.471 3.222 20 30 EGEDLO CC(C)[C@H](NC(=O)C[N@H+]1CCO[C@]2(CCCOC2)C1)c1ccccc1 ZINC000329073188 456829303 /nfs/dbraw/zinc/82/93/03/456829303.db2.gz OSGFSNPOSNPMLI-VQTJNVASSA-N 1 2 346.471 3.222 20 30 EGEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccccc1NC1CCCCC1 ZINC000329217956 456854311 /nfs/dbraw/zinc/85/43/11/456854311.db2.gz RDMIEKJVHGXKKX-MRXNPFEDSA-N 1 2 345.487 3.457 20 30 EGEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@@H]1CC[C@@H](F)C1 ZINC000329354379 456877535 /nfs/dbraw/zinc/87/75/35/456877535.db2.gz GJZKCGLCWJHTTE-VXGBXAGGSA-N 1 2 326.441 3.346 20 30 EGEDLO CN(Cc1ccc(C#N)cc1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000341651564 456884429 /nfs/dbraw/zinc/88/44/29/456884429.db2.gz BKCPBUFVHFNTQV-LJQANCHMSA-N 1 2 344.418 3.462 20 30 EGEDLO CCOc1ccccc1[C@@H](CC)[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000341651913 456885304 /nfs/dbraw/zinc/88/53/04/456885304.db2.gz BBIPRTWOAYBJMX-MJGOQNOKSA-N 1 2 337.423 3.224 20 30 EGEDLO Cc1nc(C2(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)CCCCCC2)no1 ZINC000329476629 456896814 /nfs/dbraw/zinc/89/68/14/456896814.db2.gz PNSOSCLCGFPBRB-CQSZACIVSA-N 1 2 343.431 3.343 20 30 EGEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N2CCOCC3(CCC3)C2)c1 ZINC000329529181 456904949 /nfs/dbraw/zinc/90/49/49/456904949.db2.gz TUAPAWIXCYEAKQ-UHFFFAOYSA-N 1 2 340.427 3.135 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]2C[C@]23CCOC3)C[C@H](C)O1 ZINC000329681865 456926770 /nfs/dbraw/zinc/92/67/70/456926770.db2.gz XCJGBLCKTUMOPW-MQJTVSLUSA-N 1 2 344.455 3.310 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]2C[C@]23CCOC3)C[C@H](C)O1 ZINC000329681865 456926776 /nfs/dbraw/zinc/92/67/76/456926776.db2.gz XCJGBLCKTUMOPW-MQJTVSLUSA-N 1 2 344.455 3.310 20 30 EGEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)NC[C@@H]1CCCCS1 ZINC000329685510 456926823 /nfs/dbraw/zinc/92/68/23/456926823.db2.gz ZZRRHPHNKOMMTQ-ZDUSSCGKSA-N 1 2 338.864 3.277 20 30 EGEDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC[C@H]1CCCCS1 ZINC000329684163 456927104 /nfs/dbraw/zinc/92/71/04/456927104.db2.gz ZKQPNTMTRRAFLS-MRXNPFEDSA-N 1 2 348.516 3.361 20 30 EGEDLO Cc1cccc([C@H](C)NC([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)c1C ZINC000329924639 456961278 /nfs/dbraw/zinc/96/12/78/456961278.db2.gz VBGSKLAMFPIXBW-HOTGVXAUSA-N 1 2 326.444 3.327 20 30 EGEDLO CN(C)c1ncc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)s1 ZINC000353926094 456968298 /nfs/dbraw/zinc/96/82/98/456968298.db2.gz POXNHRWXWYGVCL-IAGOWNOFSA-N 1 2 326.469 3.481 20 30 EGEDLO CN(C)c1ncc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)s1 ZINC000353926094 456968302 /nfs/dbraw/zinc/96/83/02/456968302.db2.gz POXNHRWXWYGVCL-IAGOWNOFSA-N 1 2 326.469 3.481 20 30 EGEDLO O=C(NC[C@H]1CCC2(CCCCC2)O1)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000330024271 456976133 /nfs/dbraw/zinc/97/61/33/456976133.db2.gz AFRHOPPCJKVZCB-JKSUJKDBSA-N 1 2 346.475 3.146 20 30 EGEDLO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000330144480 456992228 /nfs/dbraw/zinc/99/22/28/456992228.db2.gz ZPSWVXVGWGOPGQ-TXPKVOOTSA-N 1 2 332.444 3.241 20 30 EGEDLO Cc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000330144480 456992230 /nfs/dbraw/zinc/99/22/30/456992230.db2.gz ZPSWVXVGWGOPGQ-TXPKVOOTSA-N 1 2 332.444 3.241 20 30 EGEDLO CC[C@@H]1c2ccsc2CCN1C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330248099 457011130 /nfs/dbraw/zinc/01/11/30/457011130.db2.gz FYHBRBFJTCWUDD-GXTWGEPZSA-N 1 2 330.457 3.183 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CC2(C1)CCCC2)c1ccccc1F ZINC000330249119 457011919 /nfs/dbraw/zinc/01/19/19/457011919.db2.gz GMOVGDPXXJZWSN-MRXNPFEDSA-N 1 2 342.418 3.439 20 30 EGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCCc1cscn1 ZINC000330279311 457019514 /nfs/dbraw/zinc/01/95/14/457019514.db2.gz QVRWOANLUCUDGQ-CQSZACIVSA-N 1 2 333.461 3.043 20 30 EGEDLO CC(C)c1nnc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)[nH]1 ZINC000330332592 457029651 /nfs/dbraw/zinc/02/96/51/457029651.db2.gz XZWAOQCZZFXBPR-AWEZNQCLSA-N 1 2 327.432 3.428 20 30 EGEDLO CC(C)c1nnc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)[nH]1 ZINC000330332592 457029656 /nfs/dbraw/zinc/02/96/56/457029656.db2.gz XZWAOQCZZFXBPR-AWEZNQCLSA-N 1 2 327.432 3.428 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000341989656 457045445 /nfs/dbraw/zinc/04/54/45/457045445.db2.gz MILAKNJCBVYXMB-UHFFFAOYSA-N 1 2 331.363 3.223 20 30 EGEDLO CCNc1ccc(C#N)cc1NC(=O)[C@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000354098589 457061006 /nfs/dbraw/zinc/06/10/06/457061006.db2.gz YPKFRHOTBILOKN-HOCLYGCPSA-N 1 2 349.438 3.096 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(C)(C#N)CC1 ZINC000330779435 457084146 /nfs/dbraw/zinc/08/41/46/457084146.db2.gz MKFMHGHENPKLLR-LBPRGKRZSA-N 1 2 330.819 3.164 20 30 EGEDLO Cc1cc(NC(=O)N[C@H](CCO)C(C)C)c[nH+]c1N1CCCC[C@H]1C ZINC000330775273 457084545 /nfs/dbraw/zinc/08/45/45/457084545.db2.gz HJDICCLZUXXUPM-NVXWUHKLSA-N 1 2 348.491 3.311 20 30 EGEDLO CC[C@@](C)(CO)NC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000330789434 457085962 /nfs/dbraw/zinc/08/59/62/457085962.db2.gz ZOJAMOZISCTRNW-KDOFPFPSSA-N 1 2 334.464 3.065 20 30 EGEDLO Cc1cc(NC(=O)NC(C)(C)C(C)(C)O)c[nH+]c1N1CCCC[C@@H]1C ZINC000330905786 457103254 /nfs/dbraw/zinc/10/32/54/457103254.db2.gz ZPTUOMSPKSSKBF-AWEZNQCLSA-N 1 2 348.491 3.453 20 30 EGEDLO C=CC[C@@H](CC)NC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000330973500 457112530 /nfs/dbraw/zinc/11/25/30/457112530.db2.gz IGWFULYIEVOKEU-MRXNPFEDSA-N 1 2 345.491 3.299 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)s1)c1cccc(F)c1 ZINC000362894525 457145139 /nfs/dbraw/zinc/14/51/39/457145139.db2.gz BHUJPMRRUYIMRE-HNNXBMFYSA-N 1 2 340.383 3.012 20 30 EGEDLO Cc1cc(C[NH+]2CCN(CCOc3ccccc3)CC2)ccc1C#N ZINC000362966911 457179993 /nfs/dbraw/zinc/17/99/93/457179993.db2.gz NLTJWHPAOZXSNJ-UHFFFAOYSA-N 1 2 335.451 3.063 20 30 EGEDLO N#CCc1ccc(C[S@@](=O)Cc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000342262389 457197402 /nfs/dbraw/zinc/19/74/02/457197402.db2.gz YSENSYYUFUHQQN-RUZDIDTESA-N 1 2 349.459 3.446 20 30 EGEDLO N#Cc1ccc(SCC(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000360005157 457198711 /nfs/dbraw/zinc/19/87/11/457198711.db2.gz RPGHTVSBWHARFT-UHFFFAOYSA-N 1 2 348.431 3.152 20 30 EGEDLO C[NH+](C)[C@H](CNC(=O)Nc1ccc(C#N)cc1)c1c(F)cccc1F ZINC000360056486 457229826 /nfs/dbraw/zinc/22/98/26/457229826.db2.gz VIDRVFWOSQTWQA-MRXNPFEDSA-N 1 2 344.365 3.261 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000347127512 457244661 /nfs/dbraw/zinc/24/46/61/457244661.db2.gz HMWFRCCEXWCPNQ-SNVBAGLBSA-N 1 2 345.187 3.382 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000347127512 457244665 /nfs/dbraw/zinc/24/46/65/457244665.db2.gz HMWFRCCEXWCPNQ-SNVBAGLBSA-N 1 2 345.187 3.382 20 30 EGEDLO Cn1c(C[NH2+][C@@H]2CCC[C@@H]2C#N)nc2ccc(Br)cc21 ZINC000331801968 457253975 /nfs/dbraw/zinc/25/39/75/457253975.db2.gz SFFBZYAWQCYGFM-ZYHUDNBSSA-N 1 2 333.233 3.118 20 30 EGEDLO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000347190137 457279780 /nfs/dbraw/zinc/27/97/80/457279780.db2.gz GUWPBSSXGJTGDI-HSMVNMDESA-N 1 2 337.261 3.302 20 30 EGEDLO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000347190137 457279782 /nfs/dbraw/zinc/27/97/82/457279782.db2.gz GUWPBSSXGJTGDI-HSMVNMDESA-N 1 2 337.261 3.302 20 30 EGEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000357082791 457313514 /nfs/dbraw/zinc/31/35/14/457313514.db2.gz JNNLZVPSLHLOJB-GOEBONIOSA-N 1 2 349.862 3.086 20 30 EGEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000357082791 457313518 /nfs/dbraw/zinc/31/35/18/457313518.db2.gz JNNLZVPSLHLOJB-GOEBONIOSA-N 1 2 349.862 3.086 20 30 EGEDLO N#Cc1ccc(Oc2cccc(C(=O)N3CCn4c[nH+]cc4C3)c2)cc1 ZINC000378109270 457375310 /nfs/dbraw/zinc/37/53/10/457375310.db2.gz PCQIZFBBILBMPO-UHFFFAOYSA-N 1 2 344.374 3.203 20 30 EGEDLO CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000352459091 457385109 /nfs/dbraw/zinc/38/51/09/457385109.db2.gz TUZCLSDJSDVFOY-GJZGRUSLSA-N 1 2 331.435 3.142 20 30 EGEDLO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1)c1cc2ccccc2o1 ZINC000352491121 457410670 /nfs/dbraw/zinc/41/06/70/457410670.db2.gz NTODWYFICHAMND-KBPBESRZSA-N 1 2 343.402 3.326 20 30 EGEDLO C=CCCOCCCCc1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000355771682 457418272 /nfs/dbraw/zinc/41/82/72/457418272.db2.gz NKIQPJCDRVLJCF-UHFFFAOYSA-N 1 2 326.400 3.224 20 30 EGEDLO C[N@H+](CCOc1ccccc1C#N)Cc1nc(-c2cccs2)no1 ZINC000352549932 457459371 /nfs/dbraw/zinc/45/93/71/457459371.db2.gz JHQXCKJMGJMJEB-UHFFFAOYSA-N 1 2 340.408 3.181 20 30 EGEDLO C[N@@H+](CCOc1ccccc1C#N)Cc1nc(-c2cccs2)no1 ZINC000352549932 457459379 /nfs/dbraw/zinc/45/93/79/457459379.db2.gz JHQXCKJMGJMJEB-UHFFFAOYSA-N 1 2 340.408 3.181 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000347515533 457479277 /nfs/dbraw/zinc/47/92/77/457479277.db2.gz JUOTYQCSGKSSTL-KRWDZBQOSA-N 1 2 337.467 3.436 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000347515533 457479286 /nfs/dbraw/zinc/47/92/86/457479286.db2.gz JUOTYQCSGKSSTL-KRWDZBQOSA-N 1 2 337.467 3.436 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NCc1ccc(C#N)s1)c1ccccc1F ZINC000364354641 457577168 /nfs/dbraw/zinc/57/71/68/457577168.db2.gz AQYXWJFAOQRHQN-MRXNPFEDSA-N 1 2 326.400 3.372 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000425502420 457578011 /nfs/dbraw/zinc/57/80/11/457578011.db2.gz CERBQPHAGOEPDA-LQAWEQHXSA-N 1 2 342.345 3.422 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000425502420 457578012 /nfs/dbraw/zinc/57/80/12/457578012.db2.gz CERBQPHAGOEPDA-LQAWEQHXSA-N 1 2 342.345 3.422 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000425502422 457578942 /nfs/dbraw/zinc/57/89/42/457578942.db2.gz CERBQPHAGOEPDA-MZPVMMEZSA-N 1 2 342.345 3.422 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000425502422 457578949 /nfs/dbraw/zinc/57/89/49/457578949.db2.gz CERBQPHAGOEPDA-MZPVMMEZSA-N 1 2 342.345 3.422 20 30 EGEDLO COC(=O)[C@H](c1ccccc1)[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000357709031 457664740 /nfs/dbraw/zinc/66/47/40/457664740.db2.gz PUEZQXPGSUUONI-IBGZPJMESA-N 1 2 338.407 3.173 20 30 EGEDLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000357709031 457664744 /nfs/dbraw/zinc/66/47/44/457664744.db2.gz PUEZQXPGSUUONI-IBGZPJMESA-N 1 2 338.407 3.173 20 30 EGEDLO CCc1nc([C@H]2CCCC[N@@H+]2CCCOc2cccc(C#N)c2)no1 ZINC000370565898 457674269 /nfs/dbraw/zinc/67/42/69/457674269.db2.gz PCIYAVDJCRAOFQ-QGZVFWFLSA-N 1 2 340.427 3.500 20 30 EGEDLO CCc1nc([C@H]2CCCC[N@H+]2CCCOc2cccc(C#N)c2)no1 ZINC000370565898 457674271 /nfs/dbraw/zinc/67/42/71/457674271.db2.gz PCIYAVDJCRAOFQ-QGZVFWFLSA-N 1 2 340.427 3.500 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000365213755 457732151 /nfs/dbraw/zinc/73/21/51/457732151.db2.gz BLATWELPVYJAFE-FUHWJXTLSA-N 1 2 335.398 3.156 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000365213755 457732154 /nfs/dbraw/zinc/73/21/54/457732154.db2.gz BLATWELPVYJAFE-FUHWJXTLSA-N 1 2 335.398 3.156 20 30 EGEDLO Cc1noc([C@@H](C)[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)n1 ZINC000361608369 457802508 /nfs/dbraw/zinc/80/25/08/457802508.db2.gz FUDBSQXKYFKNNM-CYBMUJFWSA-N 1 2 336.399 3.006 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N)c1 ZINC000433305251 457803667 /nfs/dbraw/zinc/80/36/67/457803667.db2.gz PEONLJSDIUOFSW-QGZVFWFLSA-N 1 2 340.471 3.420 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N)c1 ZINC000433305251 457803670 /nfs/dbraw/zinc/80/36/70/457803670.db2.gz PEONLJSDIUOFSW-QGZVFWFLSA-N 1 2 340.471 3.420 20 30 EGEDLO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433319407 457809993 /nfs/dbraw/zinc/80/99/93/457809993.db2.gz IXOYMYZUFPZJIE-MRXNPFEDSA-N 1 2 331.460 3.134 20 30 EGEDLO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433319407 457809998 /nfs/dbraw/zinc/80/99/98/457809998.db2.gz IXOYMYZUFPZJIE-MRXNPFEDSA-N 1 2 331.460 3.134 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@H+](CCc3ccc(F)c(F)c3)CCO2)c1 ZINC000371291117 457851800 /nfs/dbraw/zinc/85/18/00/457851800.db2.gz HSPXQHOVXLBIKN-LJQANCHMSA-N 1 2 328.362 3.452 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@@H+](CCc3ccc(F)c(F)c3)CCO2)c1 ZINC000371291117 457851806 /nfs/dbraw/zinc/85/18/06/457851806.db2.gz HSPXQHOVXLBIKN-LJQANCHMSA-N 1 2 328.362 3.452 20 30 EGEDLO Cc1ccc(F)c(C[N@@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)c1 ZINC000444727695 457956190 /nfs/dbraw/zinc/95/61/90/457956190.db2.gz AVHFCYWXOSGQSO-MRXNPFEDSA-N 1 2 343.427 3.305 20 30 EGEDLO Cc1ccc(F)c(C[N@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)c1 ZINC000444727695 457956195 /nfs/dbraw/zinc/95/61/95/457956195.db2.gz AVHFCYWXOSGQSO-MRXNPFEDSA-N 1 2 343.427 3.305 20 30 EGEDLO C=CC[C@H]1N(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCCC1(C)C ZINC000445209634 458026079 /nfs/dbraw/zinc/02/60/79/458026079.db2.gz FIMRXFJQHPDZRG-IAGOWNOFSA-N 1 2 342.487 3.437 20 30 EGEDLO C[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1csnn1 ZINC000412048807 458067190 /nfs/dbraw/zinc/06/71/90/458067190.db2.gz YFMFGMDFHUAKEI-SNVBAGLBSA-N 1 2 327.331 3.139 20 30 EGEDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1cc(C#N)cs1 ZINC000435037393 458081296 /nfs/dbraw/zinc/08/12/96/458081296.db2.gz WXCPJYWFSSUHPP-IRXDYDNUSA-N 1 2 326.421 3.498 20 30 EGEDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1cc(C#N)cs1 ZINC000435037393 458081304 /nfs/dbraw/zinc/08/13/04/458081304.db2.gz WXCPJYWFSSUHPP-IRXDYDNUSA-N 1 2 326.421 3.498 20 30 EGEDLO C[N@H+](CCOCc1ccccc1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000362450896 458186172 /nfs/dbraw/zinc/18/61/72/458186172.db2.gz KPPQWLKYCBQUBP-UHFFFAOYSA-N 1 2 348.406 3.257 20 30 EGEDLO C[N@@H+](CCOCc1ccccc1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000362450896 458186178 /nfs/dbraw/zinc/18/61/78/458186178.db2.gz KPPQWLKYCBQUBP-UHFFFAOYSA-N 1 2 348.406 3.257 20 30 EGEDLO COc1cc(C#N)ccc1C[NH2+][C@@H](c1cnn(C)c1)c1ccccc1 ZINC000376346394 458273689 /nfs/dbraw/zinc/27/36/89/458273689.db2.gz DVIIGYZMDZPCBN-HXUWFJFHSA-N 1 2 332.407 3.180 20 30 EGEDLO Cc1cc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413192490 458295494 /nfs/dbraw/zinc/29/54/94/458295494.db2.gz NDIWCUUCHNHULL-PXAZEXFGSA-N 1 2 325.372 3.059 20 30 EGEDLO C=CCC[C@H](NC(=O)NC(C)(C)C[NH+]1CCOCC1)c1ccccc1 ZINC000413393112 458299419 /nfs/dbraw/zinc/29/94/19/458299419.db2.gz DYAWFUUIVLLVIB-SFHVURJKSA-N 1 2 345.487 3.104 20 30 EGEDLO CCc1cccc(NC(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000376597026 458349417 /nfs/dbraw/zinc/34/94/17/458349417.db2.gz XUWYNOFRJSISBR-UHFFFAOYSA-N 1 2 348.450 3.140 20 30 EGEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000448688938 458405115 /nfs/dbraw/zinc/40/51/15/458405115.db2.gz FPERBINBZJBMJS-DWQUBVKVSA-N 1 2 349.837 3.282 20 30 EGEDLO CC(C)n1cnnc1C[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000430195409 458418144 /nfs/dbraw/zinc/41/81/44/458418144.db2.gz IIOIGMZNDBAYBA-UHFFFAOYSA-N 1 2 327.432 3.174 20 30 EGEDLO CC(C)n1cnnc1C[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000430195409 458418148 /nfs/dbraw/zinc/41/81/48/458418148.db2.gz IIOIGMZNDBAYBA-UHFFFAOYSA-N 1 2 327.432 3.174 20 30 EGEDLO CC[N@@H+]1CC[C@@H](Nc2nccc(C#N)n2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000450444363 458449088 /nfs/dbraw/zinc/44/90/88/458449088.db2.gz XGOQAGHXJZVPPU-ZBFHGGJFSA-N 1 2 347.344 3.013 20 30 EGEDLO CC[N@H+]1CC[C@@H](Nc2nccc(C#N)n2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000450444363 458449092 /nfs/dbraw/zinc/44/90/92/458449092.db2.gz XGOQAGHXJZVPPU-ZBFHGGJFSA-N 1 2 347.344 3.013 20 30 EGEDLO CC[N@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000437665657 458481329 /nfs/dbraw/zinc/48/13/29/458481329.db2.gz IGNBYIFJZBHNMS-HXUWFJFHSA-N 1 2 336.410 3.305 20 30 EGEDLO CC[N@@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000437665657 458481333 /nfs/dbraw/zinc/48/13/33/458481333.db2.gz IGNBYIFJZBHNMS-HXUWFJFHSA-N 1 2 336.410 3.305 20 30 EGEDLO C=CCC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452137115 458495255 /nfs/dbraw/zinc/49/52/55/458495255.db2.gz CLRYHBYKVPLPDF-UHFFFAOYSA-N 1 2 328.372 3.113 20 30 EGEDLO CC(C)(C)Oc1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1C#N ZINC000452673935 458506589 /nfs/dbraw/zinc/50/65/89/458506589.db2.gz DOTZTZZTPLYSGF-ZDUSSCGKSA-N 1 2 338.411 3.133 20 30 EGEDLO C=CCCCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000373503654 458512526 /nfs/dbraw/zinc/51/25/26/458512526.db2.gz AVDBFCRQBMWYBU-QGZVFWFLSA-N 1 2 342.443 3.174 20 30 EGEDLO Fc1ccc(C#CC[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)cc1 ZINC000438079393 458529065 /nfs/dbraw/zinc/52/90/65/458529065.db2.gz MPDPRSUCOPPOES-UHFFFAOYSA-N 1 2 331.394 3.421 20 30 EGEDLO Fc1ccc(C#CC[N@H+]2CCc3c(cnn3-c3ccccc3)C2)cc1 ZINC000438079393 458529069 /nfs/dbraw/zinc/52/90/69/458529069.db2.gz MPDPRSUCOPPOES-UHFFFAOYSA-N 1 2 331.394 3.421 20 30 EGEDLO C=CC(C)(C)CNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000454306605 458557667 /nfs/dbraw/zinc/55/76/67/458557667.db2.gz ATTUMSQYDHHZME-UHFFFAOYSA-N 1 2 330.476 3.473 20 30 EGEDLO C=CCC1(CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)CCCC1 ZINC000455479167 458601286 /nfs/dbraw/zinc/60/12/86/458601286.db2.gz NYOQIRNTYSRMBJ-UHFFFAOYSA-N 1 2 342.487 3.045 20 30 EGEDLO N#CCc1ccc(NC(=O)NCc2cn3c([nH+]2)CCCC3)c(Cl)c1 ZINC000455700701 458608265 /nfs/dbraw/zinc/60/82/65/458608265.db2.gz IVFVTBPTERYVQM-UHFFFAOYSA-N 1 2 343.818 3.261 20 30 EGEDLO C[C@](O)(C1CC[NH+](Cc2cc(F)ccc2C#N)CC1)C(F)(F)F ZINC000547345943 458723016 /nfs/dbraw/zinc/72/30/16/458723016.db2.gz XUYOLQCBXLSHOJ-HNNXBMFYSA-N 1 2 330.325 3.223 20 30 EGEDLO C[C@H](C#N)C[N@H+](C)CCC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000505778688 458746958 /nfs/dbraw/zinc/74/69/58/458746958.db2.gz WQSLYOXHMDEABE-MRXNPFEDSA-N 1 2 349.434 3.338 20 30 EGEDLO C[C@H](C#N)C[N@@H+](C)CCC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000505778688 458746961 /nfs/dbraw/zinc/74/69/61/458746961.db2.gz WQSLYOXHMDEABE-MRXNPFEDSA-N 1 2 349.434 3.338 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000464812949 458776234 /nfs/dbraw/zinc/77/62/34/458776234.db2.gz LWCCBNYPILPHLX-MOPGFXCFSA-N 1 2 325.456 3.183 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000464812949 458776241 /nfs/dbraw/zinc/77/62/41/458776241.db2.gz LWCCBNYPILPHLX-MOPGFXCFSA-N 1 2 325.456 3.183 20 30 EGEDLO Cc1c(F)cccc1NC(=O)CC[N@H+](CCC#N)Cc1ccccn1 ZINC000495068180 458793826 /nfs/dbraw/zinc/79/38/26/458793826.db2.gz PRHLNMAJBRMODU-UHFFFAOYSA-N 1 2 340.402 3.274 20 30 EGEDLO Cc1c(F)cccc1NC(=O)CC[N@@H+](CCC#N)Cc1ccccn1 ZINC000495068180 458793831 /nfs/dbraw/zinc/79/38/31/458793831.db2.gz PRHLNMAJBRMODU-UHFFFAOYSA-N 1 2 340.402 3.274 20 30 EGEDLO C=C[C@H]1CCCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000495172894 458804044 /nfs/dbraw/zinc/80/40/44/458804044.db2.gz JESVVCGCMKFPME-HNNXBMFYSA-N 1 2 328.391 3.262 20 30 EGEDLO C=CCCCCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000472831461 458810559 /nfs/dbraw/zinc/81/05/59/458810559.db2.gz HBWGFSINEUETIT-IBGZPJMESA-N 1 2 345.487 3.024 20 30 EGEDLO COc1cc(CNc2ccccc2OCCn2cc[nH+]c2)ccc1C#N ZINC000440625025 458834679 /nfs/dbraw/zinc/83/46/79/458834679.db2.gz CCUAFUYQGOJHQR-UHFFFAOYSA-N 1 2 348.406 3.454 20 30 EGEDLO C=CCCCCNC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000474091157 458860368 /nfs/dbraw/zinc/86/03/68/458860368.db2.gz WCAJMEXTEZLHPW-QGZVFWFLSA-N 1 2 345.487 3.440 20 30 EGEDLO C=CCOCC[N@@H+]1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000549717957 458883768 /nfs/dbraw/zinc/88/37/68/458883768.db2.gz MFSSQWKLODLNBA-HNNXBMFYSA-N 1 2 331.334 3.161 20 30 EGEDLO C=CCOCC[N@H+]1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000549717957 458883771 /nfs/dbraw/zinc/88/37/71/458883771.db2.gz MFSSQWKLODLNBA-HNNXBMFYSA-N 1 2 331.334 3.161 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)c2[nH+]ccn21 ZINC000557108058 459049658 /nfs/dbraw/zinc/04/96/58/459049658.db2.gz QIENUAUHENUWIH-CSMYWGQOSA-N 1 2 335.411 3.137 20 30 EGEDLO N#Cc1ccc2nc(NCc3cccc(-n4cc[nH+]c4)c3)ccc2c1 ZINC000557200508 459057856 /nfs/dbraw/zinc/05/78/56/459057856.db2.gz FCVUKAWMWOGCOX-UHFFFAOYSA-N 1 2 325.375 3.326 20 30 EGEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000590001795 459064271 /nfs/dbraw/zinc/06/42/71/459064271.db2.gz XEIUJWRGFQJVOV-GFCCVEGCSA-N 1 2 329.227 3.135 20 30 EGEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000590001795 459064274 /nfs/dbraw/zinc/06/42/74/459064274.db2.gz XEIUJWRGFQJVOV-GFCCVEGCSA-N 1 2 329.227 3.135 20 30 EGEDLO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000577861895 459109367 /nfs/dbraw/zinc/10/93/67/459109367.db2.gz PXTYOHJSYJATPZ-CYBMUJFWSA-N 1 2 344.821 3.456 20 30 EGEDLO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000577861895 459109372 /nfs/dbraw/zinc/10/93/72/459109372.db2.gz PXTYOHJSYJATPZ-CYBMUJFWSA-N 1 2 344.821 3.456 20 30 EGEDLO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CC1(C#N)CC1 ZINC000594611929 459112464 /nfs/dbraw/zinc/11/24/64/459112464.db2.gz DMUHCZUQRJMNDP-UHFFFAOYSA-N 1 2 345.244 3.337 20 30 EGEDLO Cc1cc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000496230580 459116368 /nfs/dbraw/zinc/11/63/68/459116368.db2.gz VYNCIKLJTNNJJS-KBPBESRZSA-N 1 2 330.432 3.001 20 30 EGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000580285346 459258717 /nfs/dbraw/zinc/25/87/17/459258717.db2.gz ANJSTLYMVNCBRK-PBHICJAKSA-N 1 2 340.427 3.295 20 30 EGEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000591020186 459294729 /nfs/dbraw/zinc/29/47/29/459294729.db2.gz QNSCMUYDQNTCKL-GOSISDBHSA-N 1 2 342.418 3.146 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000568649617 459322954 /nfs/dbraw/zinc/32/29/54/459322954.db2.gz NDFRIOYVBDGXKI-HNNXBMFYSA-N 1 2 345.830 3.498 20 30 EGEDLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595497073 459324131 /nfs/dbraw/zinc/32/41/31/459324131.db2.gz LYVLDCPTCUCMKA-HNNXBMFYSA-N 1 2 335.455 3.427 20 30 EGEDLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595497073 459324134 /nfs/dbraw/zinc/32/41/34/459324134.db2.gz LYVLDCPTCUCMKA-HNNXBMFYSA-N 1 2 335.455 3.427 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000595608884 459364122 /nfs/dbraw/zinc/36/41/22/459364122.db2.gz AYGIIHYMIODKEI-NSHDSACASA-N 1 2 337.217 3.303 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000595608884 459364129 /nfs/dbraw/zinc/36/41/29/459364129.db2.gz AYGIIHYMIODKEI-NSHDSACASA-N 1 2 337.217 3.303 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)N(Cc2ccco2)c2ccccc2)C1 ZINC000595609557 459365257 /nfs/dbraw/zinc/36/52/57/459365257.db2.gz MDZQEXRIRSWGPA-KRWDZBQOSA-N 1 2 337.423 3.438 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)N(Cc2ccco2)c2ccccc2)C1 ZINC000595609557 459365260 /nfs/dbraw/zinc/36/52/60/459365260.db2.gz MDZQEXRIRSWGPA-KRWDZBQOSA-N 1 2 337.423 3.438 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000595614445 459368526 /nfs/dbraw/zinc/36/85/26/459368526.db2.gz IAVUCMLUQFUICM-LBPRGKRZSA-N 1 2 325.334 3.270 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000595614445 459368531 /nfs/dbraw/zinc/36/85/31/459368531.db2.gz IAVUCMLUQFUICM-LBPRGKRZSA-N 1 2 325.334 3.270 20 30 EGEDLO Cc1ccc(F)c(N2CCC[C@H]([N@@H+]3CCC[C@H](CC#N)C3)C2=O)c1 ZINC000595615387 459368678 /nfs/dbraw/zinc/36/86/78/459368678.db2.gz QKIVNTLHRGDNMU-WBVHZDCISA-N 1 2 329.419 3.255 20 30 EGEDLO Cc1ccc(F)c(N2CCC[C@H]([N@H+]3CCC[C@H](CC#N)C3)C2=O)c1 ZINC000595615387 459368680 /nfs/dbraw/zinc/36/86/80/459368680.db2.gz QKIVNTLHRGDNMU-WBVHZDCISA-N 1 2 329.419 3.255 20 30 EGEDLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)CC#Cc1ccccc1 ZINC000483520208 459374662 /nfs/dbraw/zinc/37/46/62/459374662.db2.gz RKFZZDAXVFNTST-UHFFFAOYSA-N 1 2 342.826 3.271 20 30 EGEDLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)CC#Cc1ccccc1 ZINC000483520208 459374666 /nfs/dbraw/zinc/37/46/66/459374666.db2.gz RKFZZDAXVFNTST-UHFFFAOYSA-N 1 2 342.826 3.271 20 30 EGEDLO CCOc1ccccc1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595632054 459376204 /nfs/dbraw/zinc/37/62/04/459376204.db2.gz LMIAXJJSFWDIIT-UHFFFAOYSA-N 1 2 327.453 3.341 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1nnc(C(C)(C)C)s1)Cc1ccccc1 ZINC000484989743 459437480 /nfs/dbraw/zinc/43/74/80/459437480.db2.gz UKDFUZYMKKPBFU-UHFFFAOYSA-N 1 2 344.484 3.462 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1nnc(C(C)(C)C)s1)Cc1ccccc1 ZINC000484989743 459437487 /nfs/dbraw/zinc/43/74/87/459437487.db2.gz UKDFUZYMKKPBFU-UHFFFAOYSA-N 1 2 344.484 3.462 20 30 EGEDLO C[NH+](C)[C@H](CNc1ncc2c(c1C#N)CCC2)c1c(F)cccc1F ZINC000591820365 459447417 /nfs/dbraw/zinc/44/74/17/459447417.db2.gz ROLWSDGAHZWAMX-QGZVFWFLSA-N 1 2 342.393 3.435 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000583092772 459482851 /nfs/dbraw/zinc/48/28/51/459482851.db2.gz ZKWQNUWPOPPUBD-CQSZACIVSA-N 1 2 328.441 3.339 20 30 EGEDLO Cc1cc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000497201616 459483452 /nfs/dbraw/zinc/48/34/52/459483452.db2.gz KTRUWFMGABVQIY-HNNXBMFYSA-N 1 2 330.432 3.097 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000569699168 459496029 /nfs/dbraw/zinc/49/60/29/459496029.db2.gz NTDOTZMHRNJPPM-SFHVURJKSA-N 1 2 345.406 3.083 20 30 EGEDLO Fc1ccc(C#CC[NH+]2CCN(c3cccc(F)c3F)CC2)cc1 ZINC000488110775 459539397 /nfs/dbraw/zinc/53/93/97/459539397.db2.gz QOJHJNJJUWJZEL-UHFFFAOYSA-N 1 2 330.353 3.278 20 30 EGEDLO C[C@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC2(CCCC2)O1 ZINC000592195192 459547334 /nfs/dbraw/zinc/54/73/34/459547334.db2.gz RJFSVXWVDVADFI-AWEZNQCLSA-N 1 2 338.411 3.142 20 30 EGEDLO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC2(CCCC2)O1 ZINC000592195192 459547338 /nfs/dbraw/zinc/54/73/38/459547338.db2.gz RJFSVXWVDVADFI-AWEZNQCLSA-N 1 2 338.411 3.142 20 30 EGEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000489406904 459562971 /nfs/dbraw/zinc/56/29/71/459562971.db2.gz PMEWKJXLTDKERL-LBPRGKRZSA-N 1 2 338.835 3.336 20 30 EGEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000489406904 459562976 /nfs/dbraw/zinc/56/29/76/459562976.db2.gz PMEWKJXLTDKERL-LBPRGKRZSA-N 1 2 338.835 3.336 20 30 EGEDLO CCc1[nH+]c2cc(CNc3cc(C#N)nc(CC)n3)ccc2n1C1CC1 ZINC000596227568 459566907 /nfs/dbraw/zinc/56/69/07/459566907.db2.gz RFSIRPSCJOJMRW-UHFFFAOYSA-N 1 2 346.438 3.192 20 30 EGEDLO CCc1cc(N)nc(SCc2ccc(C#N)cc2OC(F)F)[nH+]1 ZINC000562505646 459573674 /nfs/dbraw/zinc/57/36/74/459573674.db2.gz ANWHKVBJYPYDRH-UHFFFAOYSA-N 1 2 336.367 3.217 20 30 EGEDLO CS[C@@H]1CCN(c2[nH+]c(C)cc(N3CC[C@H](SC)C3)c2C#N)C1 ZINC000596250033 459574566 /nfs/dbraw/zinc/57/45/66/459574566.db2.gz MBZNZHKGALWEPY-UONOGXRCSA-N 1 2 348.541 3.145 20 30 EGEDLO C#C[C@H]([NH2+]Cc1ccc2c(c1)NC(=O)CO2)c1ccc(Cl)cc1F ZINC000491179716 459602556 /nfs/dbraw/zinc/60/25/56/459602556.db2.gz HEMGFXXRGSBPET-HNNXBMFYSA-N 1 2 344.773 3.274 20 30 EGEDLO CC[N@H+](CCCNC(=O)N1CCC(CC#N)CC1)c1ccccc1 ZINC000542845000 459602996 /nfs/dbraw/zinc/60/29/96/459602996.db2.gz RSMMUJRYNCHBLJ-UHFFFAOYSA-N 1 2 328.460 3.238 20 30 EGEDLO CC[N@@H+](CCCNC(=O)N1CCC(CC#N)CC1)c1ccccc1 ZINC000542845000 459603002 /nfs/dbraw/zinc/60/30/02/459603002.db2.gz RSMMUJRYNCHBLJ-UHFFFAOYSA-N 1 2 328.460 3.238 20 30 EGEDLO Cc1cn2cc(NC(=O)/C=C\c3ccc(OCC#N)cc3)ccc2[nH+]1 ZINC000491476745 459629138 /nfs/dbraw/zinc/62/91/38/459629138.db2.gz BNAHUBYOUCFMPA-WTKPLQERSA-N 1 2 332.363 3.197 20 30 EGEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)s2)CCN1Cc1ccc(C#N)s1 ZINC000584060811 459644619 /nfs/dbraw/zinc/64/46/19/459644619.db2.gz DCQMMAPFXSJTQE-ZDUSSCGKSA-N 1 2 342.493 3.259 20 30 EGEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CCN1Cc1ccc(C#N)s1 ZINC000584060811 459644624 /nfs/dbraw/zinc/64/46/24/459644624.db2.gz DCQMMAPFXSJTQE-ZDUSSCGKSA-N 1 2 342.493 3.259 20 30 EGEDLO C[C@H]1CN(Cc2ccc(C#N)s2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC000584060811 459644630 /nfs/dbraw/zinc/64/46/30/459644630.db2.gz DCQMMAPFXSJTQE-ZDUSSCGKSA-N 1 2 342.493 3.259 20 30 EGEDLO C[C@H]1CN(Cc2ccc(C#N)s2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000584060811 459644635 /nfs/dbraw/zinc/64/46/35/459644635.db2.gz DCQMMAPFXSJTQE-ZDUSSCGKSA-N 1 2 342.493 3.259 20 30 EGEDLO C#C[C@H]([NH2+]Cc1ccc2c(c1)nnn2C)c1ccc(Cl)cc1F ZINC000491753155 459667523 /nfs/dbraw/zinc/66/75/23/459667523.db2.gz YKGLDIPEOVLCEG-HNNXBMFYSA-N 1 2 328.778 3.225 20 30 EGEDLO C#C[C@@H](CCC)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000491778352 459672393 /nfs/dbraw/zinc/67/23/93/459672393.db2.gz IRPPMPGOFMAIPB-HOTGVXAUSA-N 1 2 344.846 3.264 20 30 EGEDLO C#C[C@H](NC(=O)N[C@H](C)c1[nH+]ccn1CC)c1ccc(Cl)cc1 ZINC000491789298 459674594 /nfs/dbraw/zinc/67/45/94/459674594.db2.gz ZEUDITOWLFKAAF-DOMZBBRYSA-N 1 2 330.819 3.291 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596589870 459687601 /nfs/dbraw/zinc/68/76/01/459687601.db2.gz BVKLWRCLUNJLJN-KSSFIOAISA-N 1 2 334.423 3.363 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596589870 459687605 /nfs/dbraw/zinc/68/76/05/459687605.db2.gz BVKLWRCLUNJLJN-KSSFIOAISA-N 1 2 334.423 3.363 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000596593810 459688464 /nfs/dbraw/zinc/68/84/64/459688464.db2.gz RXYQWZYSARUOGO-KBXCAEBGSA-N 1 2 334.423 3.363 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000596593810 459688468 /nfs/dbraw/zinc/68/84/68/459688468.db2.gz RXYQWZYSARUOGO-KBXCAEBGSA-N 1 2 334.423 3.363 20 30 EGEDLO CC(C)(C)c1ccc(S(=O)(=O)CC[NH+]2CCC(CC#N)CC2)cc1 ZINC000543808817 459702350 /nfs/dbraw/zinc/70/23/50/459702350.db2.gz WWXZUCYIQZEGPC-UHFFFAOYSA-N 1 2 348.512 3.383 20 30 EGEDLO N#Cc1ccc(/C=C/C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000492495239 459707520 /nfs/dbraw/zinc/70/75/20/459707520.db2.gz VRFZDAWLUNPBBR-BQYQJAHWSA-N 1 2 348.450 3.487 20 30 EGEDLO Cc1cccc2[nH+]c(CCNC(=O)[C@@H](C#N)CCc3ccccc3)cn21 ZINC000592937844 459720241 /nfs/dbraw/zinc/72/02/41/459720241.db2.gz HHRCUFSVULCIAQ-GOSISDBHSA-N 1 2 346.434 3.074 20 30 EGEDLO N#CCCC1CCN(C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000493101037 459733721 /nfs/dbraw/zinc/73/37/21/459733721.db2.gz XQXCZEWUSJQBBV-VMPITWQZSA-N 1 2 334.423 3.428 20 30 EGEDLO Cc1ccc(-n2c[nH+]c3c2CCN(c2ccc(C#N)c(C)n2)C3)cc1 ZINC000573897567 459752087 /nfs/dbraw/zinc/75/20/87/459752087.db2.gz CWVSIVMUCMQRRT-UHFFFAOYSA-N 1 2 329.407 3.319 20 30 EGEDLO Cc1sc(NC(=O)C[NH+]2CCC3(CC3(F)F)CC2)c(C#N)c1C ZINC000593073112 459764940 /nfs/dbraw/zinc/76/49/40/459764940.db2.gz PRKWRYWMJLUBSD-UHFFFAOYSA-N 1 2 339.411 3.296 20 30 EGEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl ZINC000565607330 459786275 /nfs/dbraw/zinc/78/62/75/459786275.db2.gz OEERFNTZXXBKQD-NOZJJQNGSA-N 1 2 337.210 3.276 20 30 EGEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl ZINC000565607330 459786280 /nfs/dbraw/zinc/78/62/80/459786280.db2.gz OEERFNTZXXBKQD-NOZJJQNGSA-N 1 2 337.210 3.276 20 30 EGEDLO Cc1cn2ccc(C(=O)N[C@@H]3CCCc4cc(C#N)ccc43)cc2[nH+]1 ZINC000602164478 459856739 /nfs/dbraw/zinc/85/67/39/459856739.db2.gz OIXIMIMWVVFFER-GOSISDBHSA-N 1 2 330.391 3.322 20 30 EGEDLO Cc1ccc(-n2c[nH+]c3c2CCN(c2nccc(C)c2C#N)C3)cc1 ZINC000574696748 459857300 /nfs/dbraw/zinc/85/73/00/459857300.db2.gz VWIXQWFNONPSHK-UHFFFAOYSA-N 1 2 329.407 3.319 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cccc(I)c2)C1 ZINC000597177593 459863128 /nfs/dbraw/zinc/86/31/28/459863128.db2.gz PYLFSTMEWCAJTK-GFCCVEGCSA-N 1 2 340.208 3.417 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](Cc2cccc(I)c2)C1 ZINC000597177593 459863132 /nfs/dbraw/zinc/86/31/32/459863132.db2.gz PYLFSTMEWCAJTK-GFCCVEGCSA-N 1 2 340.208 3.417 20 30 EGEDLO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccc(C#N)n1 ZINC000602475935 459957382 /nfs/dbraw/zinc/95/73/82/459957382.db2.gz UEMGNDKSSAPSSJ-UHFFFAOYSA-N 1 2 342.830 3.457 20 30 EGEDLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccc(C#N)n1 ZINC000602475935 459957387 /nfs/dbraw/zinc/95/73/87/459957387.db2.gz UEMGNDKSSAPSSJ-UHFFFAOYSA-N 1 2 342.830 3.457 20 30 EGEDLO Cc1ccc2[nH+]c(COc3ccc(C(=O)NC[C@H](C)C#N)cc3)cn2c1 ZINC000609525504 459974267 /nfs/dbraw/zinc/97/42/67/459974267.db2.gz LSDCNNYJBNXSID-OAHLLOKOSA-N 1 2 348.406 3.111 20 30 EGEDLO Cc1cccn2cc(CNC(=O)c3cc4ccccc4n3CC#N)[nH+]c12 ZINC000609521753 459974544 /nfs/dbraw/zinc/97/45/44/459974544.db2.gz GNYQMMOKFVEBCR-UHFFFAOYSA-N 1 2 343.390 3.051 20 30 EGEDLO Cc1cccn2cc(CCNC(=O)[C@@H](C)Cc3ccc(C#N)cc3)[nH+]c12 ZINC000593990054 460042966 /nfs/dbraw/zinc/04/29/66/460042966.db2.gz WRHLKXCKKLKIAB-INIZCTEOSA-N 1 2 346.434 3.052 20 30 EGEDLO Cc1nc(C)c(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)o1 ZINC000589267689 460064649 /nfs/dbraw/zinc/06/46/49/460064649.db2.gz XPHAJOXAEYVOCO-QGZVFWFLSA-N 1 2 344.846 3.327 20 30 EGEDLO N#Cc1cccc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)n1 ZINC000589498937 460094978 /nfs/dbraw/zinc/09/49/78/460094978.db2.gz LCTDNNAZMWNARK-UHFFFAOYSA-N 1 2 343.390 3.405 20 30 EGEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000602862854 460163553 /nfs/dbraw/zinc/16/35/53/460163553.db2.gz MHJQJCACGKFAEY-QRWLVFNGSA-N 1 2 339.414 3.265 20 30 EGEDLO C[C@H](CC#N)[NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000602867100 460165270 /nfs/dbraw/zinc/16/52/70/460165270.db2.gz BJMKRGPRPFNYSE-LLVKDONJSA-N 1 2 331.217 3.298 20 30 EGEDLO COc1ccc([C@H]2CCCCCN2C(=O)C[NH2+][C@@H](C)CC#N)cc1 ZINC000602868924 460165768 /nfs/dbraw/zinc/16/57/68/460165768.db2.gz KZNQJTABBWBISF-MAUKXSAKSA-N 1 2 329.444 3.031 20 30 EGEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000602870088 460165969 /nfs/dbraw/zinc/16/59/69/460165969.db2.gz SJTDPAHMXGGVJW-NWDGAFQWSA-N 1 2 330.457 3.107 20 30 EGEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000610519895 460174464 /nfs/dbraw/zinc/17/44/64/460174464.db2.gz MZAVGPWBRHDHLL-INIZCTEOSA-N 1 2 325.456 3.029 20 30 EGEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000594286281 460180903 /nfs/dbraw/zinc/18/09/03/460180903.db2.gz RGAHFKHYXFWHOV-RNCFNFMXSA-N 1 2 337.210 3.276 20 30 EGEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000594286281 460180906 /nfs/dbraw/zinc/18/09/06/460180906.db2.gz RGAHFKHYXFWHOV-RNCFNFMXSA-N 1 2 337.210 3.276 20 30 EGEDLO COCCOCc1cc(C#N)ccc1NCCCc1[nH+]cccc1C ZINC000603386906 460295023 /nfs/dbraw/zinc/29/50/23/460295023.db2.gz LNADRCIELGMXIU-UHFFFAOYSA-N 1 2 339.439 3.469 20 30 EGEDLO CN(C(=O)C[N@H+](C)Cc1ccc(C#N)cc1Cl)C1CCCCC1 ZINC000615223673 460295885 /nfs/dbraw/zinc/29/58/85/460295885.db2.gz FRYTYQVLYDFYON-UHFFFAOYSA-N 1 2 333.863 3.435 20 30 EGEDLO CN(C(=O)C[N@@H+](C)Cc1ccc(C#N)cc1Cl)C1CCCCC1 ZINC000615223673 460295890 /nfs/dbraw/zinc/29/58/90/460295890.db2.gz FRYTYQVLYDFYON-UHFFFAOYSA-N 1 2 333.863 3.435 20 30 EGEDLO Cc1cc(NC(=O)N2CC[C@](F)(C#N)C2)c[nH+]c1N1CCCC[C@H]1C ZINC000615543045 460345476 /nfs/dbraw/zinc/34/54/76/460345476.db2.gz OSPBDDRUZOFXDR-KDOFPFPSSA-N 1 2 345.422 3.238 20 30 EGEDLO CC(C)OC(=O)Cc1nc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cs1 ZINC000611387849 460351077 /nfs/dbraw/zinc/35/10/77/460351077.db2.gz USLDNLMTMWXHSX-ZDUSSCGKSA-N 1 2 343.452 3.360 20 30 EGEDLO Cc1ccc(F)cc1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000611518411 460386127 /nfs/dbraw/zinc/38/61/27/460386127.db2.gz VDJGSRRIEOUENZ-UHFFFAOYSA-N 1 2 340.402 3.193 20 30 EGEDLO C=C[C@H](C(=O)OC)[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000619721301 460422583 /nfs/dbraw/zinc/42/25/83/460422583.db2.gz SCDPPUPQOWOKHT-OAHLLOKOSA-N 1 2 336.229 3.266 20 30 EGEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000619721301 460422589 /nfs/dbraw/zinc/42/25/89/460422589.db2.gz SCDPPUPQOWOKHT-OAHLLOKOSA-N 1 2 336.229 3.266 20 30 EGEDLO Cc1cccn2cc(C[NH+]3CCC(C#N)(c4ccccn4)CC3)nc12 ZINC000619722929 460422898 /nfs/dbraw/zinc/42/28/98/460422898.db2.gz XKOIGXVMVXABGF-UHFFFAOYSA-N 1 2 331.423 3.095 20 30 EGEDLO N#Cc1cnc(NCc2cc[nH+]c(N3CCSCC3)c2)c(Cl)c1 ZINC000601240717 460762657 /nfs/dbraw/zinc/76/26/57/460762657.db2.gz OPFSCERZNDBNIA-UHFFFAOYSA-N 1 2 345.859 3.167 20 30 EGEDLO COc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2Br)cn1 ZINC000617214877 460776386 /nfs/dbraw/zinc/77/63/86/460776386.db2.gz JWUPXWNCTUOBOO-UHFFFAOYSA-N 1 2 346.228 3.356 20 30 EGEDLO COc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2Br)cn1 ZINC000617214877 460776392 /nfs/dbraw/zinc/77/63/92/460776392.db2.gz JWUPXWNCTUOBOO-UHFFFAOYSA-N 1 2 346.228 3.356 20 30 EGEDLO Cc1cc(N2CCC[C@]3(CC(=O)c4ccccc4O3)C2)c(C#N)c[nH+]1 ZINC000624535659 461045193 /nfs/dbraw/zinc/04/51/93/461045193.db2.gz RJPSBJAOAICKMF-FQEVSTJZSA-N 1 2 333.391 3.266 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)C1 ZINC000630927807 461419621 /nfs/dbraw/zinc/41/96/21/461419621.db2.gz QYOPHURPXWOZCB-MRXNPFEDSA-N 1 2 328.456 3.257 20 30 EGEDLO C=CCCn1cc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)nn1 ZINC000656117791 461601158 /nfs/dbraw/zinc/60/11/58/461601158.db2.gz FHNHJIXIKLEWHU-UHFFFAOYSA-N 1 2 346.438 3.382 20 30 EGEDLO C=CCCn1cc(C[N@@H+]2[C@H](C)Cc3cc(OC)ccc3[C@H]2C)nn1 ZINC000653612031 461758474 /nfs/dbraw/zinc/75/84/74/461758474.db2.gz YMNDHDZWYZQSAZ-HUUCEWRRSA-N 1 2 326.444 3.371 20 30 EGEDLO C=CCCn1cc(C[N@H+]2[C@H](C)Cc3cc(OC)ccc3[C@H]2C)nn1 ZINC000653612031 461758485 /nfs/dbraw/zinc/75/84/85/461758485.db2.gz YMNDHDZWYZQSAZ-HUUCEWRRSA-N 1 2 326.444 3.371 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000644800645 462083412 /nfs/dbraw/zinc/08/34/12/462083412.db2.gz LUZQMXXMTZRQRA-HNNXBMFYSA-N 1 2 333.476 3.433 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000644800645 462083416 /nfs/dbraw/zinc/08/34/16/462083416.db2.gz LUZQMXXMTZRQRA-HNNXBMFYSA-N 1 2 333.476 3.433 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000183937421 534082055 /nfs/dbraw/zinc/08/20/55/534082055.db2.gz ZHIPWBVGAPEQHY-KRWDZBQOSA-N 1 2 333.435 3.006 20 30 EGEDLO CCCC[N@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000187244005 528442347 /nfs/dbraw/zinc/44/23/47/528442347.db2.gz AFRWZYIIKYJEJF-MRXNPFEDSA-N 1 2 340.876 3.001 20 30 EGEDLO CCCC[N@@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000187244005 528442350 /nfs/dbraw/zinc/44/23/50/528442350.db2.gz AFRWZYIIKYJEJF-MRXNPFEDSA-N 1 2 340.876 3.001 20 30 EGEDLO O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328948506 547487656 /nfs/dbraw/zinc/48/76/56/547487656.db2.gz WFCSJAAGGLKQGP-JCGIZDLHSA-N 1 2 343.402 3.461 20 30 EGEDLO CCc1nc(C)c(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)s1 ZINC000329111694 547490629 /nfs/dbraw/zinc/49/06/29/547490629.db2.gz GUTXKYKVCRJJLU-AWEZNQCLSA-N 1 2 348.472 3.220 20 30 EGEDLO Cc1cc(NC(=O)N2C[C@H]3CC[C@@H](C2)O3)c[nH+]c1N1CCCC[C@@H]1C ZINC000329312152 547495149 /nfs/dbraw/zinc/49/51/49/547495149.db2.gz GJSNEXOYVZSFFI-BHYGNILZSA-N 1 2 344.459 3.178 20 30 EGEDLO C[N@@H+]1CCc2nc(NC(=O)CNC(=O)CC3CCCC3)sc2C1 ZINC000329343686 547496159 /nfs/dbraw/zinc/49/61/59/547496159.db2.gz QFVZDOUSYBUJRU-UHFFFAOYSA-N 1 2 336.461 3.256 20 30 EGEDLO C[N@H+]1CCc2nc(NC(=O)CNC(=O)CC3CCCC3)sc2C1 ZINC000329343686 547496164 /nfs/dbraw/zinc/49/61/64/547496164.db2.gz QFVZDOUSYBUJRU-UHFFFAOYSA-N 1 2 336.461 3.256 20 30 EGEDLO CC1(C)CC[C@@H](CNC(=O)N2CCn3c[nH+]cc3C2)c2ccccc21 ZINC000329636248 547502364 /nfs/dbraw/zinc/50/23/64/547502364.db2.gz YAQAXHUNWHFQCR-HNNXBMFYSA-N 1 2 338.455 3.468 20 30 EGEDLO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000333670616 547540305 /nfs/dbraw/zinc/54/03/05/547540305.db2.gz YCJQBEHAUWTXDV-NILFDRSVSA-N 1 2 337.345 3.093 20 30 EGEDLO C#Cc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)nc1 ZINC000728862082 574779845 /nfs/dbraw/zinc/77/98/45/574779845.db2.gz SNZHETPCSBHXOU-ZDUSSCGKSA-N 1 2 340.452 3.004 20 30 EGEDLO C#Cc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)nc1 ZINC000728862082 574779846 /nfs/dbraw/zinc/77/98/46/574779846.db2.gz SNZHETPCSBHXOU-ZDUSSCGKSA-N 1 2 340.452 3.004 20 30 EGEDLO CN(C)c1nc(Cl)c(C=[NH+]NCCCOc2ccccc2)s1 ZINC000729147966 574818706 /nfs/dbraw/zinc/81/87/06/574818706.db2.gz PFEMXSFILQIHBH-UHFFFAOYSA-N 1 2 338.864 3.255 20 30 EGEDLO C=CCn1nnn(C[N@H+]2CCCC[C@@H]2Cc2ccc(F)cc2)c1=S ZINC000729471529 574863521 /nfs/dbraw/zinc/86/35/21/574863521.db2.gz DCYULRNXVNEJAO-MRXNPFEDSA-N 1 2 347.463 3.189 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2CCCC[C@@H]2Cc2ccc(F)cc2)c1=S ZINC000729471529 574863523 /nfs/dbraw/zinc/86/35/23/574863523.db2.gz DCYULRNXVNEJAO-MRXNPFEDSA-N 1 2 347.463 3.189 20 30 EGEDLO CN(CCC#N)c1ccc(C=[NH+]Nc2ccnc3ccccc32)cc1 ZINC000730146422 574925541 /nfs/dbraw/zinc/92/55/41/574925541.db2.gz VSOQTGFKFVVTAT-UHFFFAOYSA-N 1 2 329.407 3.453 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc(-c2ccccc2C)cs1 ZINC000730276004 574965184 /nfs/dbraw/zinc/96/51/84/574965184.db2.gz DEQHHZVJKWQDPE-INIZCTEOSA-N 1 2 325.437 3.155 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc(-c2ccccc2C)cs1 ZINC000730276004 574965187 /nfs/dbraw/zinc/96/51/87/574965187.db2.gz DEQHHZVJKWQDPE-INIZCTEOSA-N 1 2 325.437 3.155 20 30 EGEDLO C#CCOc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000731013432 575044645 /nfs/dbraw/zinc/04/46/45/575044645.db2.gz RJIRIWLVVLPUOJ-UHFFFAOYSA-N 1 2 331.375 3.196 20 30 EGEDLO C=CCc1cc(OCC)cc(C[N@H+]2CCO[C@@H](C(F)(F)F)C2)c1O ZINC000739873957 576512694 /nfs/dbraw/zinc/51/26/94/576512694.db2.gz KNAUHOVIWBKERO-OAHLLOKOSA-N 1 2 345.361 3.283 20 30 EGEDLO COc1ccc([C@H](NC(=O)C[N@H+](CCC#N)CC(C)C)C(C)C)cc1 ZINC000739913757 576518307 /nfs/dbraw/zinc/51/83/07/576518307.db2.gz QFXWBVFQHKIUJK-HXUWFJFHSA-N 1 2 345.487 3.380 20 30 EGEDLO COc1ccc([C@H](NC(=O)C[N@@H+](CCC#N)CC(C)C)C(C)C)cc1 ZINC000739913757 576518310 /nfs/dbraw/zinc/51/83/10/576518310.db2.gz QFXWBVFQHKIUJK-HXUWFJFHSA-N 1 2 345.487 3.380 20 30 EGEDLO Cc1cccn2cc(COc3ccc(C=NNCC(F)F)cc3)[nH+]c12 ZINC000740618683 576607639 /nfs/dbraw/zinc/60/76/39/576607639.db2.gz WKYSAFDTYRIMMV-UHFFFAOYSA-N 1 2 344.365 3.410 20 30 EGEDLO C#CCOc1ccc(C(=O)Nc2nc(C[NH+](CC)CC)cs2)cc1 ZINC000741677725 576710461 /nfs/dbraw/zinc/71/04/61/576710461.db2.gz YTZBROSANOJTAG-UHFFFAOYSA-N 1 2 343.452 3.249 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000742143072 576751324 /nfs/dbraw/zinc/75/13/24/576751324.db2.gz QCSBWAXGZSOSMK-KRWDZBQOSA-N 1 2 330.403 3.183 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000742143072 576751326 /nfs/dbraw/zinc/75/13/26/576751326.db2.gz QCSBWAXGZSOSMK-KRWDZBQOSA-N 1 2 330.403 3.183 20 30 EGEDLO CC[C@H](C)C[C@@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000742264919 576764670 /nfs/dbraw/zinc/76/46/70/576764670.db2.gz CIMCQNKMOBVDRE-UONOGXRCSA-N 1 2 340.471 3.471 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000745101674 576841277 /nfs/dbraw/zinc/84/12/77/576841277.db2.gz RWQBZJVJWLUVTL-SJLPKXTDSA-N 1 2 346.471 3.036 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000745101674 576841278 /nfs/dbraw/zinc/84/12/78/576841278.db2.gz RWQBZJVJWLUVTL-SJLPKXTDSA-N 1 2 346.471 3.036 20 30 EGEDLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)O[NH+]=C(N)c1ccccc1 ZINC000015365483 1291150531 /nfs/dbraw/zinc/15/05/31/1291150531.db2.gz WGHWSRCJLDODDL-GFCCVEGCSA-N 1 2 331.803 3.313 20 30 EGEDLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)O[NH+]=C(N)c1ccccc1 ZINC000021387722 1291198104 /nfs/dbraw/zinc/19/81/04/1291198104.db2.gz SAIWZRVHIWSRIB-LBPRGKRZSA-N 1 2 331.803 3.313 20 30 EGEDLO CCCCc1nc(CO[NH+]=C(N)c2ccc(OC)c(OC)c2)cs1 ZINC000063455481 1292009198 /nfs/dbraw/zinc/00/91/98/1292009198.db2.gz LKCBSMRUBBZXGO-UHFFFAOYSA-N 1 2 349.456 3.340 20 30 EGEDLO Cc1cc(C)cc(NC(=O)CO[NH+]=C(N)c2ccc(F)c(C)c2)c1 ZINC000063458081 1292009881 /nfs/dbraw/zinc/00/98/81/1292009881.db2.gz GILBNASNCOUIIL-UHFFFAOYSA-N 1 2 329.375 3.027 20 30 EGEDLO C[C@H](NC(=O)CO[NH+]=C(N)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000072001873 1292273484 /nfs/dbraw/zinc/27/34/84/1292273484.db2.gz MOJQFORZUUWGFZ-ZDUSSCGKSA-N 1 2 345.830 3.049 20 30 EGEDLO C[C@H](C(=O)[C@H](C#N)c1nc2ccccc2[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000089964428 1292781644 /nfs/dbraw/zinc/78/16/44/1292781644.db2.gz JZKAHYLQINAAFR-PBHICJAKSA-N 1 2 344.418 3.186 20 30 EGEDLO C[C@H](C(=O)[C@H](C#N)c1nc2ccccc2[nH]1)[N@H+]1CCc2ccccc2C1 ZINC000089964428 1292781651 /nfs/dbraw/zinc/78/16/51/1292781651.db2.gz JZKAHYLQINAAFR-PBHICJAKSA-N 1 2 344.418 3.186 20 30 EGEDLO Cc1oc(-c2cccs2)nc1CO[NH+]=C(N)Cc1cccnc1 ZINC000092916008 1292900170 /nfs/dbraw/zinc/90/01/70/1292900170.db2.gz KABRQDRLKBUOBG-UHFFFAOYSA-N 1 2 328.397 3.138 20 30 EGEDLO C[C@@H](C#N)Oc1ccc(C[NH+]2CCN([C@@H](C)C(F)(F)F)CC2)cc1 ZINC000093882916 1292935432 /nfs/dbraw/zinc/93/54/32/1292935432.db2.gz SFLXAWVDOWSDEN-KBPBESRZSA-N 1 2 341.377 3.046 20 30 EGEDLO C[NH+](C)Cc1cnc(/C=C2/Cc3cc(F)c(F)c(F)c3C2=O)s1 ZINC000834455695 1293098693 /nfs/dbraw/zinc/09/86/93/1293098693.db2.gz NWIXHCZFERKRCL-UITAMQMPSA-N 1 2 338.354 3.444 20 30 EGEDLO COc1ccc(C(N)=[NH+]OCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000116267469 1293202528 /nfs/dbraw/zinc/20/25/28/1293202528.db2.gz LSWKVKQWJCWHKT-UHFFFAOYSA-N 1 2 335.747 3.094 20 30 EGEDLO Cn1c(C#N)ccc1C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000835403733 1293283792 /nfs/dbraw/zinc/28/37/92/1293283792.db2.gz NZLWBEXXICSDHV-UHFFFAOYSA-N 1 2 346.390 3.316 20 30 EGEDLO COc1cccc(/C=[NH+]/C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1O ZINC000131204015 1293683350 /nfs/dbraw/zinc/68/33/50/1293683350.db2.gz QUJYZMMEFFDTSS-MQMKENTISA-N 1 2 348.443 3.467 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2CC[C@H](CC)C2)c1=S ZINC000162928368 1294325385 /nfs/dbraw/zinc/32/53/85/1294325385.db2.gz JEPIMQIQLNOJHQ-AWEZNQCLSA-N 1 2 329.473 3.351 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2CC[C@H](CC)C2)c1=S ZINC000162928368 1294325389 /nfs/dbraw/zinc/32/53/89/1294325389.db2.gz JEPIMQIQLNOJHQ-AWEZNQCLSA-N 1 2 329.473 3.351 20 30 EGEDLO NC(=[NH+]OCc1coc(-c2c(F)cccc2F)n1)c1ccccc1 ZINC000179234601 1294780105 /nfs/dbraw/zinc/78/01/05/1294780105.db2.gz HCPATCJBGZPPEY-UHFFFAOYSA-N 1 2 329.306 3.457 20 30 EGEDLO C#CC[N@@H+](Cc1nc(N)c2ccccc2n1)[C@@H]1CCc2ccccc21 ZINC000181138050 1294941573 /nfs/dbraw/zinc/94/15/73/1294941573.db2.gz MKRBHNBHGQGZNK-LJQANCHMSA-N 1 2 328.419 3.335 20 30 EGEDLO C#CC[N@H+](Cc1nc(N)c2ccccc2n1)[C@@H]1CCc2ccccc21 ZINC000181138050 1294941584 /nfs/dbraw/zinc/94/15/84/1294941584.db2.gz MKRBHNBHGQGZNK-LJQANCHMSA-N 1 2 328.419 3.335 20 30 EGEDLO N#C[C@H](COC(=O)c1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000181183426 1294945353 /nfs/dbraw/zinc/94/53/53/1294945353.db2.gz WQANNFFZHRTVLG-QGZVFWFLSA-N 1 2 331.375 3.412 20 30 EGEDLO C#CCOc1ccc([C@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)cc1 ZINC000182886688 1295082048 /nfs/dbraw/zinc/08/20/48/1295082048.db2.gz NPTPUIRCPBZNPE-INIZCTEOSA-N 1 2 337.423 3.103 20 30 EGEDLO C#CCOc1ccccc1NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000188080299 1295434479 /nfs/dbraw/zinc/43/44/79/1295434479.db2.gz QVRCLXCOTBXHRJ-UHFFFAOYSA-N 1 2 346.390 3.206 20 30 EGEDLO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(C#N)s2)CC1 ZINC000870123946 1295680630 /nfs/dbraw/zinc/68/06/30/1295680630.db2.gz JRYLZWNKLOJXKW-CQSZACIVSA-N 1 2 325.437 3.139 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+]2CC[C@@H](C)[C@@H]2C)c1=S ZINC000247178840 1296384063 /nfs/dbraw/zinc/38/40/63/1296384063.db2.gz ZQTITVRCELISPQ-KGLIPLIRSA-N 1 2 329.473 3.350 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c1=S ZINC000247178840 1296384077 /nfs/dbraw/zinc/38/40/77/1296384077.db2.gz ZQTITVRCELISPQ-KGLIPLIRSA-N 1 2 329.473 3.350 20 30 EGEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nc(C2CCCCC2)cs1 ZINC000871992308 1296642054 /nfs/dbraw/zinc/64/20/54/1296642054.db2.gz VPQQDGUYBLWQLO-AWEZNQCLSA-N 1 2 339.530 3.489 20 30 EGEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nc(C2CCCCC2)cs1 ZINC000871992308 1296642066 /nfs/dbraw/zinc/64/20/66/1296642066.db2.gz VPQQDGUYBLWQLO-AWEZNQCLSA-N 1 2 339.530 3.489 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000357123190 1297472903 /nfs/dbraw/zinc/47/29/03/1297472903.db2.gz KCCUDGACBUIKTO-QZTJIDSGSA-N 1 2 336.439 3.214 20 30 EGEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3ccc4c(c3)CCC(=O)N4)n21 ZINC000748997118 1299122133 /nfs/dbraw/zinc/12/21/33/1299122133.db2.gz FNURQQRIZSENKS-VQHVLOKHSA-N 1 2 331.375 3.424 20 30 EGEDLO COC(=O)C1(C#N)CC[NH+](C/C=C\c2c(C)cc(C)cc2C)CC1 ZINC000877567674 1299404840 /nfs/dbraw/zinc/40/48/40/1299404840.db2.gz ZZSFAUWKMYMHDV-WAYWQWQTSA-N 1 2 326.440 3.404 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=S)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000755398568 1300334864 /nfs/dbraw/zinc/33/48/64/1300334864.db2.gz RKJQGBXMERHIFZ-GFCCVEGCSA-N 1 2 345.859 3.131 20 30 EGEDLO C=CC[C@H](CO)C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756785075 1300565014 /nfs/dbraw/zinc/56/50/14/1300565014.db2.gz AGTXCCFNSGPERH-UWVGGRQHSA-N 1 2 332.213 3.129 20 30 EGEDLO Cc1ccn(C[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)c(=O)c1C#N ZINC000758199185 1300811221 /nfs/dbraw/zinc/81/12/21/1300811221.db2.gz QARJJLPKKUDENN-INIZCTEOSA-N 1 2 341.842 3.346 20 30 EGEDLO Cc1ccn(C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)c(=O)c1C#N ZINC000758199185 1300811235 /nfs/dbraw/zinc/81/12/35/1300811235.db2.gz QARJJLPKKUDENN-INIZCTEOSA-N 1 2 341.842 3.346 20 30 EGEDLO CC[N@H+](C)[C@@H](C(=O)OCc1cc(F)ccc1C#N)c1ccccc1 ZINC000759363806 1301075006 /nfs/dbraw/zinc/07/50/06/1301075006.db2.gz XNIKCYRQZOKHNE-GOSISDBHSA-N 1 2 326.371 3.434 20 30 EGEDLO CC[N@@H+](C)[C@@H](C(=O)OCc1cc(F)ccc1C#N)c1ccccc1 ZINC000759363806 1301075017 /nfs/dbraw/zinc/07/50/17/1301075017.db2.gz XNIKCYRQZOKHNE-GOSISDBHSA-N 1 2 326.371 3.434 20 30 EGEDLO N#CCOc1cccc(CC(=O)OCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000760625081 1301309362 /nfs/dbraw/zinc/30/93/62/1301309362.db2.gz IIPJPMASRCGFBR-UHFFFAOYSA-N 1 2 347.374 3.061 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000764887124 1302159647 /nfs/dbraw/zinc/15/96/47/1302159647.db2.gz FTNDEBVGUOWNGC-INTMVARXSA-N 1 2 339.395 3.240 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000764887124 1302159651 /nfs/dbraw/zinc/15/96/51/1302159651.db2.gz FTNDEBVGUOWNGC-INTMVARXSA-N 1 2 339.395 3.240 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[NH+]2C[C@H](C)[C@@H](C)C2)c1=S ZINC000765048298 1302190212 /nfs/dbraw/zinc/19/02/12/1302190212.db2.gz GOQAJVNPUFOASG-KBPBESRZSA-N 1 2 329.473 3.207 20 30 EGEDLO CC(C)(CCC#N)CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883697870 1302555926 /nfs/dbraw/zinc/55/59/26/1302555926.db2.gz RBQCRAOHBNZWOS-KRWDZBQOSA-N 1 2 339.443 3.254 20 30 EGEDLO C#CC[N@H+](CC#CC)Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000769448442 1303114774 /nfs/dbraw/zinc/11/47/74/1303114774.db2.gz QNBQSUACBYKMMD-UHFFFAOYSA-N 1 2 334.419 3.128 20 30 EGEDLO C#CC[N@@H+](CC#CC)Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000769448442 1303114778 /nfs/dbraw/zinc/11/47/78/1303114778.db2.gz QNBQSUACBYKMMD-UHFFFAOYSA-N 1 2 334.419 3.128 20 30 EGEDLO C#CC[N@H+](CC#CC)Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000769452199 1303115494 /nfs/dbraw/zinc/11/54/94/1303115494.db2.gz SMSVKJRBFNXUTH-UHFFFAOYSA-N 1 2 334.419 3.128 20 30 EGEDLO C#CC[N@@H+](CC#CC)Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000769452199 1303115501 /nfs/dbraw/zinc/11/55/01/1303115501.db2.gz SMSVKJRBFNXUTH-UHFFFAOYSA-N 1 2 334.419 3.128 20 30 EGEDLO COc1ccc(C(N)=[NH+]OCCOc2ccc(F)cc2Cl)cc1 ZINC000769565347 1303141929 /nfs/dbraw/zinc/14/19/29/1303141929.db2.gz UPHPBJUVNBOHGJ-UHFFFAOYSA-N 1 2 338.766 3.204 20 30 EGEDLO CC(=[NH+]NCC(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000769824460 1303181114 /nfs/dbraw/zinc/18/11/14/1303181114.db2.gz KAJAYUUAINCQOP-UHFFFAOYSA-N 1 2 335.757 3.053 20 30 EGEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 ZINC000769978109 1303200936 /nfs/dbraw/zinc/20/09/36/1303200936.db2.gz RAUYBIIVXBMQNQ-MRXNPFEDSA-N 1 2 349.434 3.139 20 30 EGEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 ZINC000769978109 1303200943 /nfs/dbraw/zinc/20/09/43/1303200943.db2.gz RAUYBIIVXBMQNQ-MRXNPFEDSA-N 1 2 349.434 3.139 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3c(O)cccc3Cl)CCO2)c1 ZINC000770388524 1303259708 /nfs/dbraw/zinc/25/97/08/1303259708.db2.gz AHQBYIORXJGZBE-GOSISDBHSA-N 1 2 328.799 3.491 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3c(O)cccc3Cl)CCO2)c1 ZINC000770388524 1303259712 /nfs/dbraw/zinc/25/97/12/1303259712.db2.gz AHQBYIORXJGZBE-GOSISDBHSA-N 1 2 328.799 3.491 20 30 EGEDLO C[N@H+](CC(F)F)C1CCN(c2nc3ccccc3cc2C#N)CC1 ZINC000771154546 1303368621 /nfs/dbraw/zinc/36/86/21/1303368621.db2.gz NSEIKCRDMKRBCT-UHFFFAOYSA-N 1 2 330.382 3.272 20 30 EGEDLO C[N@@H+](CC(F)F)C1CCN(c2nc3ccccc3cc2C#N)CC1 ZINC000771154546 1303368626 /nfs/dbraw/zinc/36/86/26/1303368626.db2.gz NSEIKCRDMKRBCT-UHFFFAOYSA-N 1 2 330.382 3.272 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000774566321 1303828874 /nfs/dbraw/zinc/82/88/74/1303828874.db2.gz OBEBPBSVZXVPRX-HNNXBMFYSA-N 1 2 333.407 3.186 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000774566321 1303828875 /nfs/dbraw/zinc/82/88/75/1303828875.db2.gz OBEBPBSVZXVPRX-HNNXBMFYSA-N 1 2 333.407 3.186 20 30 EGEDLO N#Cc1ccc(C2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)cc1 ZINC000887703582 1303900471 /nfs/dbraw/zinc/90/04/71/1303900471.db2.gz YHNXEHKSRLAIDY-UHFFFAOYSA-N 1 2 330.391 3.226 20 30 EGEDLO C=CCOc1cccnc1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000775105306 1303909394 /nfs/dbraw/zinc/90/93/94/1303909394.db2.gz ARWOADSTXWYDLX-UHFFFAOYSA-N 1 2 335.363 3.189 20 30 EGEDLO Cn1cnc2cc(C[N@@H+]3CCO[C@H](c4cccc(C#N)c4)C3)ccc21 ZINC000775744440 1304026706 /nfs/dbraw/zinc/02/67/06/1304026706.db2.gz LLVJQVKIWZSSCE-FQEVSTJZSA-N 1 2 332.407 3.018 20 30 EGEDLO Cn1cnc2cc(C[N@H+]3CCO[C@H](c4cccc(C#N)c4)C3)ccc21 ZINC000775744440 1304026709 /nfs/dbraw/zinc/02/67/09/1304026709.db2.gz LLVJQVKIWZSSCE-FQEVSTJZSA-N 1 2 332.407 3.018 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1coc(-c2ccc(OCC)cc2)n1)[C@@H]1CCCO1 ZINC000775788120 1304036538 /nfs/dbraw/zinc/03/65/38/1304036538.db2.gz CPKSLZLUGXWDPG-MSOLQXFVSA-N 1 2 326.396 3.011 20 30 EGEDLO C#CCC[N@@H+](CC(=O)OCC)[C@@H](C)c1cccc(Br)c1 ZINC000777713394 1304338258 /nfs/dbraw/zinc/33/82/58/1304338258.db2.gz QUUMLOJTGDODFK-ZDUSSCGKSA-N 1 2 338.245 3.399 20 30 EGEDLO C#CCC[N@H+](CC(=O)OCC)[C@@H](C)c1cccc(Br)c1 ZINC000777713394 1304338265 /nfs/dbraw/zinc/33/82/65/1304338265.db2.gz QUUMLOJTGDODFK-ZDUSSCGKSA-N 1 2 338.245 3.399 20 30 EGEDLO C[C@@H]1C[NH+]=C(NN=Cc2c3ccccc3n(C)c2-c2ccccc2)N1 ZINC000779805039 1304607263 /nfs/dbraw/zinc/60/72/63/1304607263.db2.gz IZRVNNXYMRYJDP-CQSZACIVSA-N 1 2 331.423 3.117 20 30 EGEDLO Cc1cccn2c(C=CC(=O)c3ccc(N4CCNC4=O)cc3)c[nH+]c12 ZINC000782371358 1304963980 /nfs/dbraw/zinc/96/39/80/1304963980.db2.gz XRAVBLNKXFLBQG-CMDGGOBGSA-N 1 2 346.390 3.068 20 30 EGEDLO C=CCCCCCON=C(N)c1cccc(C[NH+]2CCOCC2)c1 ZINC000783025483 1305037371 /nfs/dbraw/zinc/03/73/71/1305037371.db2.gz BYCMEHVIBRVYEL-UHFFFAOYSA-N 1 2 331.460 3.112 20 30 EGEDLO COc1ccc(CC(N)=[NH+]OCc2ccc(CC#N)cc2)cc1OC ZINC000784053939 1305183780 /nfs/dbraw/zinc/18/37/80/1305183780.db2.gz RGBJRCGBBWYKNO-UHFFFAOYSA-N 1 2 339.395 3.011 20 30 EGEDLO Cc1ccnc(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)c1 ZINC000790497785 1306338924 /nfs/dbraw/zinc/33/89/24/1306338924.db2.gz FUVPMXVBIVRJHE-UHFFFAOYSA-N 1 2 348.406 3.201 20 30 EGEDLO Cc1cccc([C@H]2CCC[N@H+]2Cn2nc(CC#N)n(C)c2=S)c1 ZINC000794620553 1309557046 /nfs/dbraw/zinc/55/70/46/1309557046.db2.gz KESBNHDUTZBMLP-OAHLLOKOSA-N 1 2 327.457 3.120 20 30 EGEDLO Cc1cccc([C@H]2CCC[N@@H+]2Cn2nc(CC#N)n(C)c2=S)c1 ZINC000794620553 1309557054 /nfs/dbraw/zinc/55/70/54/1309557054.db2.gz KESBNHDUTZBMLP-OAHLLOKOSA-N 1 2 327.457 3.120 20 30 EGEDLO CC(=O)Nc1cccc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)c1 ZINC000794690087 1309576017 /nfs/dbraw/zinc/57/60/17/1309576017.db2.gz HPEYZFZHIINOIC-BQYQJAHWSA-N 1 2 329.425 3.059 20 30 EGEDLO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]Nc1cc(F)cc(F)c1 ZINC000794901994 1309618645 /nfs/dbraw/zinc/61/86/45/1309618645.db2.gz RBRABSPFJXBABE-UHFFFAOYSA-N 1 2 327.338 3.487 20 30 EGEDLO COc1c(C)c[nH+]c(CNC(=O)c2cc(C#N)ccc2Cl)c1C ZINC000795862422 1309850889 /nfs/dbraw/zinc/85/08/89/1309850889.db2.gz XGPPFWJQMODNMX-UHFFFAOYSA-N 1 2 329.787 3.162 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OCC(C)(C)CCC#N ZINC000798877462 1310453161 /nfs/dbraw/zinc/45/31/61/1310453161.db2.gz IWBDXXNJINRYNB-UHFFFAOYSA-N 1 2 335.354 3.496 20 30 EGEDLO CC(=[NH+]Nc1cccc([N+](=O)[O-])c1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799112283 1310488778 /nfs/dbraw/zinc/48/87/78/1310488778.db2.gz OBGDVXDKWDUBLG-UHFFFAOYSA-N 1 2 329.316 3.230 20 30 EGEDLO Cc1ccc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1C#N ZINC000799408521 1310542474 /nfs/dbraw/zinc/54/24/74/1310542474.db2.gz PZVSQZLTFLWLSJ-YVMONPNESA-N 1 2 345.446 3.338 20 30 EGEDLO CC[N@H+](Cc1nc(COC(C)C)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000929330140 1328569697 /nfs/dbraw/zinc/56/96/97/1328569697.db2.gz CURDZGAIWQBPQV-CQSZACIVSA-N 1 2 328.416 3.449 20 30 EGEDLO CC[N@@H+](Cc1nc(COC(C)C)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000929330140 1328569699 /nfs/dbraw/zinc/56/96/99/1328569699.db2.gz CURDZGAIWQBPQV-CQSZACIVSA-N 1 2 328.416 3.449 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2ncc(C(C)(C)C)o2)C1 ZINC001019232046 1317114567 /nfs/dbraw/zinc/11/45/67/1317114567.db2.gz GGVMZGCUWNVWLR-AWEZNQCLSA-N 1 2 333.476 3.265 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([NH2+][C@@H](C)c2nnc(CC(C)C)o2)C1 ZINC001019232170 1317114608 /nfs/dbraw/zinc/11/46/08/1317114608.db2.gz MHKFXAPMROFLQB-GJZGRUSLSA-N 1 2 348.491 3.122 20 30 EGEDLO CC[C@@]1(C(C)C)C[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000956980054 1317117023 /nfs/dbraw/zinc/11/70/23/1317117023.db2.gz VBAOCQGOANYICR-FPOVZHCZSA-N 1 2 339.483 3.275 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(-c3ccccc3)nc2)C1 ZINC000957034396 1317140674 /nfs/dbraw/zinc/14/06/74/1317140674.db2.gz GDLQSQZBOWEVBZ-UHFFFAOYSA-N 1 2 335.451 3.471 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2c[nH]nc2C2CCCCC2)C1 ZINC000957121020 1317199645 /nfs/dbraw/zinc/19/96/45/1317199645.db2.gz ZITVCUVUXVIQST-UHFFFAOYSA-N 1 2 330.476 3.180 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(N(CC)CC)cc2)C1 ZINC000957318471 1317280849 /nfs/dbraw/zinc/28/08/49/1317280849.db2.gz BZFUQPYZRGXYMA-UHFFFAOYSA-N 1 2 329.488 3.255 20 30 EGEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)CCCCCC#N)CC2)cc1 ZINC000805184940 1317324483 /nfs/dbraw/zinc/32/44/83/1317324483.db2.gz BENRVDRZVKWHFN-UHFFFAOYSA-N 1 2 342.487 3.312 20 30 EGEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1cc2c(s1)SCC(=O)N2 ZINC000901489912 1317435702 /nfs/dbraw/zinc/43/57/02/1317435702.db2.gz LGHJMTLWVUSSBR-ONEGZZNKSA-N 1 2 333.438 3.466 20 30 EGEDLO Cc1[nH]c(/C=C\C(=O)c2ccc(N3CCCOC3=O)cc2)[nH+]c1C ZINC000901514141 1317437617 /nfs/dbraw/zinc/43/76/17/1317437617.db2.gz RKQJLOVFGLQDQK-HJWRWDBZSA-N 1 2 325.368 3.269 20 30 EGEDLO C=C(Br)CNC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000806631590 1317514902 /nfs/dbraw/zinc/51/49/02/1317514902.db2.gz ORTFIDHCDBGNDK-UHFFFAOYSA-N 1 2 345.668 3.187 20 30 EGEDLO C=C(Br)CNC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000806631590 1317514907 /nfs/dbraw/zinc/51/49/07/1317514907.db2.gz ORTFIDHCDBGNDK-UHFFFAOYSA-N 1 2 345.668 3.187 20 30 EGEDLO NC(=[NH+]OCC[C@H](O)c1ccccc1)c1ccc(Br)cc1 ZINC000808263780 1317653021 /nfs/dbraw/zinc/65/30/21/1317653021.db2.gz FSINAKZANWETAM-HNNXBMFYSA-N 1 2 349.228 3.210 20 30 EGEDLO C#C[C@H](NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)C(C)(C)C ZINC000808314060 1317660072 /nfs/dbraw/zinc/66/00/72/1317660072.db2.gz LPKMQEMBQGQCGG-SJORKVTESA-N 1 2 338.455 3.051 20 30 EGEDLO Cc1cccn2cc(Cc3noc(-c4ccc(C)c(C#N)c4)n3)[nH+]c12 ZINC000809366956 1317804690 /nfs/dbraw/zinc/80/46/90/1317804690.db2.gz CKBLOQOEPOTDQB-UHFFFAOYSA-N 1 2 329.363 3.464 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000809980100 1317929532 /nfs/dbraw/zinc/92/95/32/1317929532.db2.gz HZHMUHGPMVXXSR-OLZOCXBDSA-N 1 2 329.183 3.172 20 30 EGEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(C#N)c(F)c1 ZINC000810250027 1317986328 /nfs/dbraw/zinc/98/63/28/1317986328.db2.gz GXXRYLVSACJPIV-OAHLLOKOSA-N 1 2 329.379 3.130 20 30 EGEDLO N#Cc1ccncc1C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907816523 1318266416 /nfs/dbraw/zinc/26/64/16/1318266416.db2.gz UMRNOYKHHVNARS-HNNXBMFYSA-N 1 2 349.438 3.011 20 30 EGEDLO N#Cc1ccncc1C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907816523 1318266425 /nfs/dbraw/zinc/26/64/25/1318266425.db2.gz UMRNOYKHHVNARS-HNNXBMFYSA-N 1 2 349.438 3.011 20 30 EGEDLO CC[C@@H](C#N)Oc1cc(CNc2[nH+]cccc2OC)ccc1OC ZINC000858409361 1328754670 /nfs/dbraw/zinc/75/46/70/1328754670.db2.gz KGPOHSUGMQYZLN-AWEZNQCLSA-N 1 2 327.384 3.392 20 30 EGEDLO C=CCCCCCCCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000812492322 1318401898 /nfs/dbraw/zinc/40/18/98/1318401898.db2.gz DCLKWIIAPRUELE-SFHVURJKSA-N 1 2 337.508 3.019 20 30 EGEDLO C[C@H](C#N)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1csc(C(C)(C)C)n1 ZINC000960504326 1318613844 /nfs/dbraw/zinc/61/38/44/1318613844.db2.gz WEUJELODMIKOKL-HIFRSBDPSA-N 1 2 348.516 3.023 20 30 EGEDLO C[C@H](C#N)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1csc(C(C)(C)C)n1 ZINC000960504326 1318613853 /nfs/dbraw/zinc/61/38/53/1318613853.db2.gz WEUJELODMIKOKL-HIFRSBDPSA-N 1 2 348.516 3.023 20 30 EGEDLO C#C[C@@H](NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2)C(C)(C)C ZINC000813776977 1318630612 /nfs/dbraw/zinc/63/06/12/1318630612.db2.gz FVOCOODPCDMZRN-LJQANCHMSA-N 1 2 349.478 3.391 20 30 EGEDLO C#C[C@@H](NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2)C(C)(C)C ZINC000813776977 1318630619 /nfs/dbraw/zinc/63/06/19/1318630619.db2.gz FVOCOODPCDMZRN-LJQANCHMSA-N 1 2 349.478 3.391 20 30 EGEDLO C[C@H](c1c(F)cccc1F)[N@H+](C)C[C@@H]1CCCN1C(=O)C#CC1CC1 ZINC000960626383 1318753192 /nfs/dbraw/zinc/75/31/92/1318753192.db2.gz YIYRTEKWZWIZAY-ZBFHGGJFSA-N 1 2 346.421 3.362 20 30 EGEDLO C[C@H](c1c(F)cccc1F)[N@@H+](C)C[C@@H]1CCCN1C(=O)C#CC1CC1 ZINC000960626383 1318753197 /nfs/dbraw/zinc/75/31/97/1318753197.db2.gz YIYRTEKWZWIZAY-ZBFHGGJFSA-N 1 2 346.421 3.362 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ncoc1C(C)C ZINC000960791320 1318894679 /nfs/dbraw/zinc/89/46/79/1318894679.db2.gz PRKWPESODALYJO-OAHLLOKOSA-N 1 2 333.476 3.433 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ncoc1C(C)C ZINC000960791320 1318894683 /nfs/dbraw/zinc/89/46/83/1318894683.db2.gz PRKWPESODALYJO-OAHLLOKOSA-N 1 2 333.476 3.433 20 30 EGEDLO CC(C)[C@@H](F)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000960801024 1318912437 /nfs/dbraw/zinc/91/24/37/1318912437.db2.gz CCZAUVSUDCPSJI-QZTJIDSGSA-N 1 2 349.425 3.114 20 30 EGEDLO CC(C)[C@@H](F)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000960801024 1318912453 /nfs/dbraw/zinc/91/24/53/1318912453.db2.gz CCZAUVSUDCPSJI-QZTJIDSGSA-N 1 2 349.425 3.114 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ncc(C)s1 ZINC000960824865 1318950753 /nfs/dbraw/zinc/95/07/53/1318950753.db2.gz CXTFHXIILJQVHC-YJBOKZPZSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ncc(C)s1 ZINC000960824865 1318950765 /nfs/dbraw/zinc/95/07/65/1318950765.db2.gz CXTFHXIILJQVHC-YJBOKZPZSA-N 1 2 335.517 3.477 20 30 EGEDLO C[C@@H]1CN(c2ccccc2C=[NH+]Nc2nc3ccccc3[nH]2)CCO1 ZINC000915938133 1319566963 /nfs/dbraw/zinc/56/69/63/1319566963.db2.gz ZEVPDHPOWVNZMN-CQSZACIVSA-N 1 2 335.411 3.234 20 30 EGEDLO C[N@H+](CCCOc1ccc(C#N)cc1)Cc1cnn(-c2ccccc2)n1 ZINC000917054669 1319744476 /nfs/dbraw/zinc/74/44/76/1319744476.db2.gz UHRVBWYKNCXKFH-UHFFFAOYSA-N 1 2 347.422 3.040 20 30 EGEDLO C[N@@H+](CCCOc1ccc(C#N)cc1)Cc1cnn(-c2ccccc2)n1 ZINC000917054669 1319744483 /nfs/dbraw/zinc/74/44/83/1319744483.db2.gz UHRVBWYKNCXKFH-UHFFFAOYSA-N 1 2 347.422 3.040 20 30 EGEDLO CCc1cc(N=NCc2c[nH+]cn2C(C)C)nc(-c2ccccn2)n1 ZINC000819807180 1319789154 /nfs/dbraw/zinc/78/91/54/1319789154.db2.gz ARFYRQQURNZOJX-UHFFFAOYSA-N 1 2 335.415 3.324 20 30 EGEDLO Cc1nn(-c2ccccn2)c(Cl)c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000826862328 1320410164 /nfs/dbraw/zinc/41/01/64/1320410164.db2.gz ZCCNQDVEJIRGTF-AWEZNQCLSA-N 1 2 329.835 3.355 20 30 EGEDLO Cc1nn(-c2ccccn2)c(Cl)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000826862328 1320410166 /nfs/dbraw/zinc/41/01/66/1320410166.db2.gz ZCCNQDVEJIRGTF-AWEZNQCLSA-N 1 2 329.835 3.355 20 30 EGEDLO N#CC1(C[NH2+]Cc2ccccc2I)CCC1 ZINC000841898316 1321328849 /nfs/dbraw/zinc/32/88/49/1321328849.db2.gz MRJHYSIBLWNOJK-UHFFFAOYSA-N 1 2 326.181 3.075 20 30 EGEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1C[C@@](C)(Cc2ccccc2)CC1=O ZINC000842596679 1321404840 /nfs/dbraw/zinc/40/48/40/1321404840.db2.gz PUNHNFUHOCQWRQ-QFIPXVFZSA-N 1 2 347.462 3.429 20 30 EGEDLO C[N@H+](Cc1cccc(C#N)c1)CN1C[C@@](C)(Cc2ccccc2)CC1=O ZINC000842596679 1321404844 /nfs/dbraw/zinc/40/48/44/1321404844.db2.gz PUNHNFUHOCQWRQ-QFIPXVFZSA-N 1 2 347.462 3.429 20 30 EGEDLO CCOc1cc(C#N)cc(Cl)c1OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000844297197 1321586869 /nfs/dbraw/zinc/58/68/69/1321586869.db2.gz JBCQDZSMMFKQOI-LLVKDONJSA-N 1 2 333.775 3.364 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)c1=S ZINC000919944047 1322119612 /nfs/dbraw/zinc/11/96/12/1322119612.db2.gz PORMHVWEPHIREA-MRXNPFEDSA-N 1 2 329.473 3.050 20 30 EGEDLO C=CCn1nnn(C[N@H+]2CCC[C@@H]2CCc2ccccc2)c1=S ZINC000919944047 1322119614 /nfs/dbraw/zinc/11/96/14/1322119614.db2.gz PORMHVWEPHIREA-MRXNPFEDSA-N 1 2 329.473 3.050 20 30 EGEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C#N)C3CCCC3)cn2c1 ZINC000921537284 1322344736 /nfs/dbraw/zinc/34/47/36/1322344736.db2.gz AMFDJBYKQGZEJW-INIZCTEOSA-N 1 2 342.468 3.075 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000859616636 1329036421 /nfs/dbraw/zinc/03/64/21/1329036421.db2.gz VRWAIJWNPWXKPO-CXAGYDPISA-N 1 2 332.419 3.497 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000859616636 1329036427 /nfs/dbraw/zinc/03/64/27/1329036427.db2.gz VRWAIJWNPWXKPO-CXAGYDPISA-N 1 2 332.419 3.497 20 30 EGEDLO C[C@@H](C#N)OCC[NH+]1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000852408970 1323189156 /nfs/dbraw/zinc/18/91/56/1323189156.db2.gz DQHRAIJARVUGLF-LBPRGKRZSA-N 1 2 328.243 3.044 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852757579 1323238519 /nfs/dbraw/zinc/23/85/19/1323238519.db2.gz WISMSWSBZMCJQF-XUJVJEKNSA-N 1 2 339.361 3.008 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852757579 1323238526 /nfs/dbraw/zinc/23/85/26/1323238526.db2.gz WISMSWSBZMCJQF-XUJVJEKNSA-N 1 2 339.361 3.008 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC000852776179 1323240772 /nfs/dbraw/zinc/24/07/72/1323240772.db2.gz LXSUBZWNGMUMAR-CALCHBBNSA-N 1 2 327.428 3.142 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC000852776179 1323240779 /nfs/dbraw/zinc/24/07/79/1323240779.db2.gz LXSUBZWNGMUMAR-CALCHBBNSA-N 1 2 327.428 3.142 20 30 EGEDLO O=C(NC[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl)C1CCC1 ZINC001024295967 1323271007 /nfs/dbraw/zinc/27/10/07/1323271007.db2.gz BXBIHVMIIFDPTI-SFHVURJKSA-N 1 2 344.886 3.462 20 30 EGEDLO O=C(NC[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1Cl)C1CCC1 ZINC001024295967 1323271013 /nfs/dbraw/zinc/27/10/13/1323271013.db2.gz BXBIHVMIIFDPTI-SFHVURJKSA-N 1 2 344.886 3.462 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001024527223 1323474334 /nfs/dbraw/zinc/47/43/34/1323474334.db2.gz PCLUQZBIIBBLNO-CYBMUJFWSA-N 1 2 338.883 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001024527223 1323474338 /nfs/dbraw/zinc/47/43/38/1323474338.db2.gz PCLUQZBIIBBLNO-CYBMUJFWSA-N 1 2 338.883 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2cccnc21 ZINC001024617641 1323547633 /nfs/dbraw/zinc/54/76/33/1323547633.db2.gz LEIWJZCGQOUAEK-SJORKVTESA-N 1 2 347.890 3.225 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2cccnc21 ZINC001024617641 1323547639 /nfs/dbraw/zinc/54/76/39/1323547639.db2.gz LEIWJZCGQOUAEK-SJORKVTESA-N 1 2 347.890 3.225 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(OC)cc1C ZINC001024626085 1323553898 /nfs/dbraw/zinc/55/38/98/1323553898.db2.gz BFFDIFUSXJESSQ-OAHLLOKOSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(OC)cc1C ZINC001024626085 1323553904 /nfs/dbraw/zinc/55/39/04/1323553904.db2.gz BFFDIFUSXJESSQ-OAHLLOKOSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ncsc1C1CC1 ZINC001024650739 1323573434 /nfs/dbraw/zinc/57/34/34/1323573434.db2.gz KHCMSVZJJPMLRN-CYBMUJFWSA-N 1 2 339.892 3.357 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ncsc1C1CC1 ZINC001024650739 1323573440 /nfs/dbraw/zinc/57/34/40/1323573440.db2.gz KHCMSVZJJPMLRN-CYBMUJFWSA-N 1 2 339.892 3.357 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1nc(C2CC2)oc1C ZINC001024737420 1323637952 /nfs/dbraw/zinc/63/79/52/1323637952.db2.gz IQCSHABFEHWQFV-AWEZNQCLSA-N 1 2 337.851 3.197 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1nc(C2CC2)oc1C ZINC001024737420 1323637958 /nfs/dbraw/zinc/63/79/58/1323637958.db2.gz IQCSHABFEHWQFV-AWEZNQCLSA-N 1 2 337.851 3.197 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)CCN2C ZINC001024749884 1323652415 /nfs/dbraw/zinc/65/24/15/1323652415.db2.gz IKWMGWQVXUQTNT-KRWDZBQOSA-N 1 2 347.890 3.016 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)CCN2C ZINC001024749884 1323652420 /nfs/dbraw/zinc/65/24/20/1323652420.db2.gz IKWMGWQVXUQTNT-KRWDZBQOSA-N 1 2 347.890 3.016 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NCc1cnn(CC(F)(F)F)c1 ZINC000853449443 1325094028 /nfs/dbraw/zinc/09/40/28/1325094028.db2.gz VLKWFBWQWCJUIK-UHFFFAOYSA-N 1 2 338.333 3.245 20 30 EGEDLO C=CC[C@@H]1CCC[N@@H+](Cn2nc(-c3ccncc3)n(C)c2=S)C1 ZINC000853536192 1325117042 /nfs/dbraw/zinc/11/70/42/1325117042.db2.gz OJYMKTAZCQNOGQ-CQSZACIVSA-N 1 2 329.473 3.259 20 30 EGEDLO C=CC[C@@H]1CCC[N@H+](Cn2nc(-c3ccncc3)n(C)c2=S)C1 ZINC000853536192 1325117051 /nfs/dbraw/zinc/11/70/51/1325117051.db2.gz OJYMKTAZCQNOGQ-CQSZACIVSA-N 1 2 329.473 3.259 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2C[N@@H+](Cc3ccc(C#N)s3)CC[C@H]2C)o1 ZINC000964901635 1327759766 /nfs/dbraw/zinc/75/97/66/1327759766.db2.gz GLCZBXLGVMDIGM-WBMJQRKESA-N 1 2 343.452 3.162 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2C[N@H+](Cc3ccc(C#N)s3)CC[C@H]2C)o1 ZINC000964901635 1327759772 /nfs/dbraw/zinc/75/97/72/1327759772.db2.gz GLCZBXLGVMDIGM-WBMJQRKESA-N 1 2 343.452 3.162 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]([N@H+](C)CC(=C)Br)C1 ZINC001027560018 1327874470 /nfs/dbraw/zinc/87/44/70/1327874470.db2.gz NKNINAQDSBMVGF-GDBMZVCRSA-N 1 2 343.309 3.420 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]([N@@H+](C)CC(=C)Br)C1 ZINC001027560018 1327874476 /nfs/dbraw/zinc/87/44/76/1327874476.db2.gz NKNINAQDSBMVGF-GDBMZVCRSA-N 1 2 343.309 3.420 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2(C(C)C)CC2)C1 ZINC001027566184 1327892542 /nfs/dbraw/zinc/89/25/42/1327892542.db2.gz HHWMLJCRKHOSJU-CQSZACIVSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)C2(C(C)C)CC2)C1 ZINC001027566184 1327892547 /nfs/dbraw/zinc/89/25/47/1327892547.db2.gz HHWMLJCRKHOSJU-CQSZACIVSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@H+](C)Cc3csc(C)n3)C2)C1 ZINC001027566438 1327894211 /nfs/dbraw/zinc/89/42/11/1327894211.db2.gz IWTBCGLVCOBAMW-MRXNPFEDSA-N 1 2 333.501 3.231 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3csc(C)n3)C2)C1 ZINC001027566438 1327894219 /nfs/dbraw/zinc/89/42/19/1327894219.db2.gz IWTBCGLVCOBAMW-MRXNPFEDSA-N 1 2 333.501 3.231 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@H]2C)co1 ZINC000965951009 1328126855 /nfs/dbraw/zinc/12/68/55/1328126855.db2.gz AVONNXKXIAGWQV-KUHUBIRLSA-N 1 2 337.423 3.100 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3C#N)CC[C@H]2C)co1 ZINC000965951009 1328126863 /nfs/dbraw/zinc/12/68/63/1328126863.db2.gz AVONNXKXIAGWQV-KUHUBIRLSA-N 1 2 337.423 3.100 20 30 EGEDLO Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2C#N)s1 ZINC001027725789 1328145912 /nfs/dbraw/zinc/14/59/12/1328145912.db2.gz KLEKWKYHLWEYHW-KRWDZBQOSA-N 1 2 339.464 3.323 20 30 EGEDLO Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2C#N)s1 ZINC001027725789 1328145919 /nfs/dbraw/zinc/14/59/19/1328145919.db2.gz KLEKWKYHLWEYHW-KRWDZBQOSA-N 1 2 339.464 3.323 20 30 EGEDLO CC1(C)C[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl ZINC001027830423 1328287544 /nfs/dbraw/zinc/28/75/44/1328287544.db2.gz BKAIHPBKOWKZGJ-IAGOWNOFSA-N 1 2 344.886 3.318 20 30 EGEDLO CC1(C)C[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1Cl ZINC001027830423 1328287548 /nfs/dbraw/zinc/28/75/48/1328287548.db2.gz BKAIHPBKOWKZGJ-IAGOWNOFSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001028023918 1328485903 /nfs/dbraw/zinc/48/59/03/1328485903.db2.gz ZITIOHTVTHHFNO-MGPQQGTHSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001028023918 1328485905 /nfs/dbraw/zinc/48/59/05/1328485905.db2.gz ZITIOHTVTHHFNO-MGPQQGTHSA-N 1 2 343.309 3.158 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000862324911 1329475651 /nfs/dbraw/zinc/47/56/51/1329475651.db2.gz YBRVCAOTFGXZRT-DOTOQJQBSA-N 1 2 340.427 3.017 20 30 EGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2sccc2C#N)c1C ZINC000931847201 1329766092 /nfs/dbraw/zinc/76/60/92/1329766092.db2.gz MGNROVMAJWJCFN-UHFFFAOYSA-N 1 2 330.413 3.304 20 30 EGEDLO N#Cc1ccc(O)c(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)c1 ZINC000935106913 1330029214 /nfs/dbraw/zinc/02/92/14/1330029214.db2.gz FDJOJZXNEFBXOG-UHFFFAOYSA-N 1 2 325.368 3.095 20 30 EGEDLO COc1cccc(C[NH+]2CCN(c3cc(C#N)ccc3C(C)=O)CC2)c1 ZINC000866126488 1330068161 /nfs/dbraw/zinc/06/81/61/1330068161.db2.gz WPJJUMFDKOYJKB-UHFFFAOYSA-N 1 2 349.434 3.092 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C2(C)CCC2)C(C)(C)C1 ZINC000940949968 1331267839 /nfs/dbraw/zinc/26/78/39/1331267839.db2.gz BJIJRXDYWAEMMZ-CYBMUJFWSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CCC2)C(C)(C)C1 ZINC000940949968 1331267842 /nfs/dbraw/zinc/26/78/42/1331267842.db2.gz BJIJRXDYWAEMMZ-CYBMUJFWSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](C/C(Cl)=C/Cl)C[C@@H]2C)C1 ZINC000942607747 1332003545 /nfs/dbraw/zinc/00/35/45/1332003545.db2.gz KJXIIWAYTQRDDN-DOOVCASASA-N 1 2 331.287 3.488 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](C/C(Cl)=C/Cl)C[C@@H]2C)C1 ZINC000942607747 1332003548 /nfs/dbraw/zinc/00/35/48/1332003548.db2.gz KJXIIWAYTQRDDN-DOOVCASASA-N 1 2 331.287 3.488 20 30 EGEDLO Cc1cc(NCC[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)nc(C(C)C)[nH+]1 ZINC001063266246 1351784200 /nfs/dbraw/zinc/78/42/00/1351784200.db2.gz WVWZWCDTWADYHR-HOCLYGCPSA-N 1 2 343.475 3.109 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)C2CCCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000946972098 1332949524 /nfs/dbraw/zinc/94/95/24/1332949524.db2.gz WIXZLUGZTWYMLN-KUHUBIRLSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)C2CCCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000946972098 1332949525 /nfs/dbraw/zinc/94/95/25/1332949525.db2.gz WIXZLUGZTWYMLN-KUHUBIRLSA-N 1 2 343.446 3.357 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2CCCCC2)C[C@@H]1C ZINC000946997264 1332962439 /nfs/dbraw/zinc/96/24/39/1332962439.db2.gz UILCXXWXIIRKNX-ZFWWWQNUSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2CCCCC2)C[C@@H]1C ZINC000946997264 1332962441 /nfs/dbraw/zinc/96/24/41/1332962441.db2.gz UILCXXWXIIRKNX-ZFWWWQNUSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccoc2C)C[C@@H]1C ZINC000947033113 1332984457 /nfs/dbraw/zinc/98/44/57/1332984457.db2.gz YVMGOBDJAUJYBL-AAEUAGOBSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccoc2C)C[C@@H]1C ZINC000947033113 1332984459 /nfs/dbraw/zinc/98/44/59/1332984459.db2.gz YVMGOBDJAUJYBL-AAEUAGOBSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(CC)o3)[C@@H](C)C2)CC1 ZINC000947689561 1333224393 /nfs/dbraw/zinc/22/43/93/1333224393.db2.gz LCLCHAQTVDEEDM-RDJZCZTQSA-N 1 2 345.487 3.453 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ncc(CC)o3)[C@@H](C)C2)CC1 ZINC000947689561 1333224394 /nfs/dbraw/zinc/22/43/94/1333224394.db2.gz LCLCHAQTVDEEDM-RDJZCZTQSA-N 1 2 345.487 3.453 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2(C)CC=CC2)C[C@@H]1C ZINC000947693442 1333227477 /nfs/dbraw/zinc/22/74/77/1333227477.db2.gz MZESGFZIAVXTAW-KBPBESRZSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2(C)CC=CC2)C[C@@H]1C ZINC000947693442 1333227481 /nfs/dbraw/zinc/22/74/81/1333227481.db2.gz MZESGFZIAVXTAW-KBPBESRZSA-N 1 2 341.293 3.220 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(F)ccc1C ZINC000948945980 1333743043 /nfs/dbraw/zinc/74/30/43/1333743043.db2.gz GDSBBEKSAUNDIN-FQEVSTJZSA-N 1 2 336.410 3.097 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(F)ccc1C ZINC000948945980 1333743048 /nfs/dbraw/zinc/74/30/48/1333743048.db2.gz GDSBBEKSAUNDIN-FQEVSTJZSA-N 1 2 336.410 3.097 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1occc1Cl ZINC000948954054 1333746486 /nfs/dbraw/zinc/74/64/86/1333746486.db2.gz JFXOSNVAECVWDS-QGZVFWFLSA-N 1 2 342.826 3.286 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1occc1Cl ZINC000948954054 1333746490 /nfs/dbraw/zinc/74/64/90/1333746490.db2.gz JFXOSNVAECVWDS-QGZVFWFLSA-N 1 2 342.826 3.286 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(C(C)C)cn1 ZINC000948957211 1333747866 /nfs/dbraw/zinc/74/78/66/1333747866.db2.gz COYMDUWCPBSCGA-NRFANRHFSA-N 1 2 347.462 3.167 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(C(C)C)cn1 ZINC000948957211 1333747868 /nfs/dbraw/zinc/74/78/68/1333747868.db2.gz COYMDUWCPBSCGA-NRFANRHFSA-N 1 2 347.462 3.167 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnc(CC)s1 ZINC000948984940 1333759656 /nfs/dbraw/zinc/75/96/56/1333759656.db2.gz AERLDMJIJRADDL-MRXNPFEDSA-N 1 2 341.480 3.221 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnc(CC)s1 ZINC000948984940 1333759659 /nfs/dbraw/zinc/75/96/59/1333759659.db2.gz AERLDMJIJRADDL-MRXNPFEDSA-N 1 2 341.480 3.221 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC2(CC1)C[N@H+](C/C=C\Cl)CCO2 ZINC000949462776 1333853738 /nfs/dbraw/zinc/85/37/38/1333853738.db2.gz JEHXIUTWNKFVOB-SKHCZCESSA-N 1 2 340.895 3.035 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC2(CC1)C[N@@H+](C/C=C\Cl)CCO2 ZINC000949462776 1333853740 /nfs/dbraw/zinc/85/37/40/1333853740.db2.gz JEHXIUTWNKFVOB-SKHCZCESSA-N 1 2 340.895 3.035 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](CCOc2c(C)cccc2C)CC1 ZINC000949631738 1333886172 /nfs/dbraw/zinc/88/61/72/1333886172.db2.gz QMSMBDCPWDBXMK-UHFFFAOYSA-N 1 2 344.499 3.429 20 30 EGEDLO C[C@@H]1CC[C@@H](CC(=O)N2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000949734700 1333908447 /nfs/dbraw/zinc/90/84/47/1333908447.db2.gz VFCATTHLKATLPA-IAGOWNOFSA-N 1 2 325.456 3.029 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2coc3c2cccc3OC)C1 ZINC000950097624 1334014089 /nfs/dbraw/zinc/01/40/89/1334014089.db2.gz RKZMWKODNOXSFZ-UHFFFAOYSA-N 1 2 328.412 3.164 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC000950624836 1334097975 /nfs/dbraw/zinc/09/79/75/1334097975.db2.gz XFFHLQWTZLKTCS-HUUCEWRRSA-N 1 2 330.394 3.240 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(C)nn2C(CC)CC)C1 ZINC000950680550 1334114887 /nfs/dbraw/zinc/11/48/87/1334114887.db2.gz BWYQUDSRLZXMIQ-UHFFFAOYSA-N 1 2 332.492 3.275 20 30 EGEDLO C=CCC[NH+]1CC(N(CC)C(=O)c2cnc(-c3ccoc3)s2)C1 ZINC000952415184 1334453110 /nfs/dbraw/zinc/45/31/10/1334453110.db2.gz MMVYXKSDTNOSJW-UHFFFAOYSA-N 1 2 331.441 3.126 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(C)n(CC)c2C)C1 ZINC000967273408 1335683473 /nfs/dbraw/zinc/68/34/73/1335683473.db2.gz LOEVOTIPBBVFKU-SJCJKPOMSA-N 1 2 337.895 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(C)n(CC)c2C)C1 ZINC000967273408 1335683475 /nfs/dbraw/zinc/68/34/75/1335683475.db2.gz LOEVOTIPBBVFKU-SJCJKPOMSA-N 1 2 337.895 3.318 20 30 EGEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(I)cc2)CC1 ZINC001204402523 1370467306 /nfs/dbraw/zinc/46/73/06/1370467306.db2.gz AHTRMULRQQXDPQ-LBPRGKRZSA-N 1 2 340.208 3.417 20 30 EGEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(I)cc2)CC1 ZINC001204402523 1370467311 /nfs/dbraw/zinc/46/73/11/1370467311.db2.gz AHTRMULRQQXDPQ-LBPRGKRZSA-N 1 2 340.208 3.417 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C(C)C)cn2)C1 ZINC000968332184 1335892334 /nfs/dbraw/zinc/89/23/34/1335892334.db2.gz VDYCDOJEYPAXBO-DYVFJYSZSA-N 1 2 335.879 3.398 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C(C)C)cn2)C1 ZINC000968332184 1335892335 /nfs/dbraw/zinc/89/23/35/1335892335.db2.gz VDYCDOJEYPAXBO-DYVFJYSZSA-N 1 2 335.879 3.398 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000968334116 1335892759 /nfs/dbraw/zinc/89/27/59/1335892759.db2.gz GOITYCJZRFKIPB-XPTSAGLGSA-N 1 2 346.780 3.297 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000968334116 1335892761 /nfs/dbraw/zinc/89/27/61/1335892761.db2.gz GOITYCJZRFKIPB-XPTSAGLGSA-N 1 2 346.780 3.297 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC000968344797 1335895668 /nfs/dbraw/zinc/89/56/68/1335895668.db2.gz FGUSHHINXLSTDM-BLLLJJGKSA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC000968344797 1335895669 /nfs/dbraw/zinc/89/56/69/1335895669.db2.gz FGUSHHINXLSTDM-BLLLJJGKSA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000968408462 1335923273 /nfs/dbraw/zinc/92/32/73/1335923273.db2.gz CTQCEASYUTYGNC-LRDDRELGSA-N 1 2 346.862 3.064 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000968408462 1335923275 /nfs/dbraw/zinc/92/32/75/1335923275.db2.gz CTQCEASYUTYGNC-LRDDRELGSA-N 1 2 346.862 3.064 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3ccn(C)c3c2)C1 ZINC000968503966 1335944578 /nfs/dbraw/zinc/94/45/78/1335944578.db2.gz CWSHKAGPTFZVMW-SUMWQHHRSA-N 1 2 345.874 3.371 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3ccn(C)c3c2)C1 ZINC000968503966 1335944581 /nfs/dbraw/zinc/94/45/81/1335944581.db2.gz CWSHKAGPTFZVMW-SUMWQHHRSA-N 1 2 345.874 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC000968622976 1335986838 /nfs/dbraw/zinc/98/68/38/1335986838.db2.gz DBWCEYOFMBDAIZ-ZUZCIYMTSA-N 1 2 328.790 3.158 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC000968622976 1335986844 /nfs/dbraw/zinc/98/68/44/1335986844.db2.gz DBWCEYOFMBDAIZ-ZUZCIYMTSA-N 1 2 328.790 3.158 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc3cnccc32)C1 ZINC000968651385 1335997730 /nfs/dbraw/zinc/99/77/30/1335997730.db2.gz HRRBFVYFTPUIHM-UGSOOPFHSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc3cnccc32)C1 ZINC000968651385 1335997732 /nfs/dbraw/zinc/99/77/32/1335997732.db2.gz HRRBFVYFTPUIHM-UGSOOPFHSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2ccc(C)s2)C1 ZINC000968677606 1336006721 /nfs/dbraw/zinc/00/67/21/1336006721.db2.gz GGJAJNOCECWLQU-XHDPSFHLSA-N 1 2 326.893 3.178 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2ccc(C)s2)C1 ZINC000968677606 1336006725 /nfs/dbraw/zinc/00/67/25/1336006725.db2.gz GGJAJNOCECWLQU-XHDPSFHLSA-N 1 2 326.893 3.178 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1scnc1C ZINC000968758305 1336041310 /nfs/dbraw/zinc/04/13/10/1336041310.db2.gz LAXZECSCXQFNPH-ZDUSSCGKSA-N 1 2 327.881 3.178 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1scnc1C ZINC000968758305 1336041314 /nfs/dbraw/zinc/04/13/14/1336041314.db2.gz LAXZECSCXQFNPH-ZDUSSCGKSA-N 1 2 327.881 3.178 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2ncc(C(C)C)o2)C1 ZINC000968795513 1336054497 /nfs/dbraw/zinc/05/44/97/1336054497.db2.gz QPBGNFMGRKVQHR-CYBMUJFWSA-N 1 2 339.867 3.267 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1conc1C1CC1 ZINC000969022284 1336120176 /nfs/dbraw/zinc/12/01/76/1336120176.db2.gz BGRBARYBUXJQLP-CQSZACIVSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1conc1C1CC1 ZINC000969022284 1336120177 /nfs/dbraw/zinc/12/01/77/1336120177.db2.gz BGRBARYBUXJQLP-CQSZACIVSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(F)c(C)cc2F)C1 ZINC000969895489 1336257995 /nfs/dbraw/zinc/25/79/95/1336257995.db2.gz AIVSQHOGBMPOBE-NSHDSACASA-N 1 2 328.790 3.076 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnc3c(F)cccc3c2)C1 ZINC000970167989 1336287768 /nfs/dbraw/zinc/28/77/68/1336287768.db2.gz SHUPIDDGEIWSGB-GFCCVEGCSA-N 1 2 347.821 3.177 20 30 EGEDLO C[C@@H](NC(=O)[C@H]1CCC1(C)C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970297427 1336293437 /nfs/dbraw/zinc/29/34/37/1336293437.db2.gz HCUVUYGQASCBLN-CXAGYDPISA-N 1 2 343.446 3.070 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2c(C)[nH]nc2C(C)C)CC1 ZINC001006276443 1336480630 /nfs/dbraw/zinc/48/06/30/1336480630.db2.gz WNATYGIJKPUSGF-UHFFFAOYSA-N 1 2 338.883 3.130 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2c(C)n[nH]c2C(C)C)CC1 ZINC001006276443 1336480631 /nfs/dbraw/zinc/48/06/31/1336480631.db2.gz WNATYGIJKPUSGF-UHFFFAOYSA-N 1 2 338.883 3.130 20 30 EGEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)c1ccco1 ZINC001006606180 1336538103 /nfs/dbraw/zinc/53/81/03/1336538103.db2.gz XFRGUNBSMARBBV-KRWDZBQOSA-N 1 2 342.826 3.179 20 30 EGEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)c1ccco1 ZINC001006606180 1336538105 /nfs/dbraw/zinc/53/81/05/1336538105.db2.gz XFRGUNBSMARBBV-KRWDZBQOSA-N 1 2 342.826 3.179 20 30 EGEDLO Cc1cscc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001007054954 1336634790 /nfs/dbraw/zinc/63/47/90/1336634790.db2.gz FXISPZNKNZCNSL-QGZVFWFLSA-N 1 2 339.464 3.323 20 30 EGEDLO Cc1cscc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001007054954 1336634792 /nfs/dbraw/zinc/63/47/92/1336634792.db2.gz FXISPZNKNZCNSL-QGZVFWFLSA-N 1 2 339.464 3.323 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)c2[nH]ccc2C2CC2)C1 ZINC001007481862 1336655381 /nfs/dbraw/zinc/65/53/81/1336655381.db2.gz XGQIEZILYYOYMJ-SFHVURJKSA-N 1 2 348.450 3.158 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)c2[nH]ccc2C2CC2)C1 ZINC001007481862 1336655383 /nfs/dbraw/zinc/65/53/83/1336655383.db2.gz XGQIEZILYYOYMJ-SFHVURJKSA-N 1 2 348.450 3.158 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3(F)CCCC3)C2)c(F)c1 ZINC001007719624 1336690180 /nfs/dbraw/zinc/69/01/80/1336690180.db2.gz PMNQHUVUHMIMFE-MRXNPFEDSA-N 1 2 347.409 3.060 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C3(F)CCCC3)C2)c(F)c1 ZINC001007719624 1336690183 /nfs/dbraw/zinc/69/01/83/1336690183.db2.gz PMNQHUVUHMIMFE-MRXNPFEDSA-N 1 2 347.409 3.060 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cc(C)cc(OC)c2C)C1 ZINC001007783501 1336698800 /nfs/dbraw/zinc/69/88/00/1336698800.db2.gz AVSKBRZFEKPYCA-OAHLLOKOSA-N 1 2 336.863 3.259 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)cc(OC)c2C)C1 ZINC001007783501 1336698804 /nfs/dbraw/zinc/69/88/04/1336698804.db2.gz AVSKBRZFEKPYCA-OAHLLOKOSA-N 1 2 336.863 3.259 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001007998400 1336745367 /nfs/dbraw/zinc/74/53/67/1336745367.db2.gz PYLKKFYJKNVJKM-ZCNNSNEGSA-N 1 2 337.467 3.075 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001007998400 1336745372 /nfs/dbraw/zinc/74/53/72/1336745372.db2.gz PYLKKFYJKNVJKM-ZCNNSNEGSA-N 1 2 337.467 3.075 20 30 EGEDLO C[C@]1(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)C=CCC1 ZINC001008231984 1336800071 /nfs/dbraw/zinc/80/00/71/1336800071.db2.gz QITLIPMJVVUYSA-PXNSSMCTSA-N 1 2 341.430 3.134 20 30 EGEDLO C[C@]1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)C=CCC1 ZINC001008231984 1336800074 /nfs/dbraw/zinc/80/00/74/1336800074.db2.gz QITLIPMJVVUYSA-PXNSSMCTSA-N 1 2 341.430 3.134 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001008458564 1336860214 /nfs/dbraw/zinc/86/02/14/1336860214.db2.gz NQMSLFXNXKJMQM-MISYRCLQSA-N 1 2 342.458 3.194 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001008458564 1336860217 /nfs/dbraw/zinc/86/02/17/1336860217.db2.gz NQMSLFXNXKJMQM-MISYRCLQSA-N 1 2 342.458 3.194 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)c2cccc(F)c2)C1 ZINC001008510594 1336872778 /nfs/dbraw/zinc/87/27/78/1336872778.db2.gz IMLFDDNDZAKJOE-MRXNPFEDSA-N 1 2 338.854 3.436 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)c2cccc(F)c2)C1 ZINC001008510594 1336872781 /nfs/dbraw/zinc/87/27/81/1336872781.db2.gz IMLFDDNDZAKJOE-MRXNPFEDSA-N 1 2 338.854 3.436 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001008609942 1336892924 /nfs/dbraw/zinc/89/29/24/1336892924.db2.gz KDEDDYJCCZPLJZ-GUDVDZBRSA-N 1 2 349.434 3.036 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001008609942 1336892926 /nfs/dbraw/zinc/89/29/26/1336892926.db2.gz KDEDDYJCCZPLJZ-GUDVDZBRSA-N 1 2 349.434 3.036 20 30 EGEDLO C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1)c1ccccc1 ZINC001009244169 1336990104 /nfs/dbraw/zinc/99/01/04/1336990104.db2.gz FVWVLWNWSLXUHY-UWJYYQICSA-N 1 2 347.462 3.443 20 30 EGEDLO C[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1)c1ccccc1 ZINC001009244169 1336990105 /nfs/dbraw/zinc/99/01/05/1336990105.db2.gz FVWVLWNWSLXUHY-UWJYYQICSA-N 1 2 347.462 3.443 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC3(CCC3)CO2)C1 ZINC001009295669 1337000063 /nfs/dbraw/zinc/00/00/63/1337000063.db2.gz LOAHEBJMSJXVQG-HZPDHXFCSA-N 1 2 340.895 3.059 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC3(CCC3)CO2)C1 ZINC001009295669 1337000065 /nfs/dbraw/zinc/00/00/65/1337000065.db2.gz LOAHEBJMSJXVQG-HZPDHXFCSA-N 1 2 340.895 3.059 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(Cl)cc2)C1 ZINC001009383549 1337013725 /nfs/dbraw/zinc/01/37/25/1337013725.db2.gz PNRKGYWGBDWBLP-HNNXBMFYSA-N 1 2 327.255 3.216 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2ccc(Cl)cc2)C1 ZINC001009383549 1337013727 /nfs/dbraw/zinc/01/37/27/1337013727.db2.gz PNRKGYWGBDWBLP-HNNXBMFYSA-N 1 2 327.255 3.216 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(OC(C)C)cc2)C1 ZINC001009418625 1337020968 /nfs/dbraw/zinc/02/09/68/1337020968.db2.gz OWXPQCPQVRAGEF-MRXNPFEDSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(OC(C)C)cc2)C1 ZINC001009418625 1337020970 /nfs/dbraw/zinc/02/09/70/1337020970.db2.gz OWXPQCPQVRAGEF-MRXNPFEDSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001009632478 1337049937 /nfs/dbraw/zinc/04/99/37/1337049937.db2.gz SLWWLKSDDVJJRN-KRWDZBQOSA-N 1 2 332.875 3.360 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001009632478 1337049939 /nfs/dbraw/zinc/04/99/39/1337049939.db2.gz SLWWLKSDDVJJRN-KRWDZBQOSA-N 1 2 332.875 3.360 20 30 EGEDLO Cc1ccccc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001009976189 1337129667 /nfs/dbraw/zinc/12/96/67/1337129667.db2.gz BRITWUZLZYMJRO-KRWDZBQOSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1ccccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001009976189 1337129669 /nfs/dbraw/zinc/12/96/69/1337129669.db2.gz BRITWUZLZYMJRO-KRWDZBQOSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)c1 ZINC001010015917 1337142770 /nfs/dbraw/zinc/14/27/70/1337142770.db2.gz IDVADVSWVIQRCC-SFHVURJKSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)c1 ZINC001010015917 1337142772 /nfs/dbraw/zinc/14/27/72/1337142772.db2.gz IDVADVSWVIQRCC-SFHVURJKSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1sccc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001014360322 1337752666 /nfs/dbraw/zinc/75/26/66/1337752666.db2.gz HYJMEYIAFUNMMC-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1sccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001014360322 1337752667 /nfs/dbraw/zinc/75/26/67/1337752667.db2.gz HYJMEYIAFUNMMC-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C1 ZINC001014464433 1337788275 /nfs/dbraw/zinc/78/82/75/1337788275.db2.gz HRBUISLSBMKICU-ZACQAIPSSA-N 1 2 332.875 3.369 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C1 ZINC001014464433 1337788277 /nfs/dbraw/zinc/78/82/77/1337788277.db2.gz HRBUISLSBMKICU-ZACQAIPSSA-N 1 2 332.875 3.369 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3nccc(C)c3c2)C1 ZINC001014564069 1337825965 /nfs/dbraw/zinc/82/59/65/1337825965.db2.gz AGAHXBDRPZWCRH-HNNXBMFYSA-N 1 2 329.831 3.100 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3nccc(C)c3c2)C1 ZINC001014564069 1337825971 /nfs/dbraw/zinc/82/59/71/1337825971.db2.gz AGAHXBDRPZWCRH-HNNXBMFYSA-N 1 2 329.831 3.100 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)s1 ZINC001014588905 1337838906 /nfs/dbraw/zinc/83/89/06/1337838906.db2.gz KYQKUHLRRKCPMQ-QGZVFWFLSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)s1 ZINC001014588905 1337838907 /nfs/dbraw/zinc/83/89/07/1337838907.db2.gz KYQKUHLRRKCPMQ-QGZVFWFLSA-N 1 2 339.464 3.241 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]c3ccccc3c2Cl)C1 ZINC001015082979 1338010870 /nfs/dbraw/zinc/01/08/70/1338010870.db2.gz GMWMMTYQIVFCQB-LLVKDONJSA-N 1 2 338.238 3.378 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2[nH]c3ccccc3c2Cl)C1 ZINC001015082979 1338010875 /nfs/dbraw/zinc/01/08/75/1338010875.db2.gz GMWMMTYQIVFCQB-LLVKDONJSA-N 1 2 338.238 3.378 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)C1 ZINC001015370797 1338114873 /nfs/dbraw/zinc/11/48/73/1338114873.db2.gz MGVFCLPJFIGKFY-FGTMMUONSA-N 1 2 332.875 3.198 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)C1 ZINC001015370797 1338114876 /nfs/dbraw/zinc/11/48/76/1338114876.db2.gz MGVFCLPJFIGKFY-FGTMMUONSA-N 1 2 332.875 3.198 20 30 EGEDLO CC(C)(C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1)C1CCC1 ZINC001015410465 1338130236 /nfs/dbraw/zinc/13/02/36/1338130236.db2.gz XWUMWHWNXNOSPS-KRWDZBQOSA-N 1 2 343.446 3.214 20 30 EGEDLO CC(C)(C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1)C1CCC1 ZINC001015410465 1338130239 /nfs/dbraw/zinc/13/02/39/1338130239.db2.gz XWUMWHWNXNOSPS-KRWDZBQOSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C2)CC1 ZINC001015660012 1338239393 /nfs/dbraw/zinc/23/93/93/1338239393.db2.gz PFPRHFDANTWVTF-MRXNPFEDSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C2)CC1 ZINC001015660012 1338239395 /nfs/dbraw/zinc/23/93/95/1338239395.db2.gz PFPRHFDANTWVTF-MRXNPFEDSA-N 1 2 334.410 3.402 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1)c1ccsc1 ZINC001015690122 1338260525 /nfs/dbraw/zinc/26/05/25/1338260525.db2.gz QEJDOUNOKUHCCF-KBXCAEBGSA-N 1 2 339.464 3.114 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1)c1ccsc1 ZINC001015690122 1338260531 /nfs/dbraw/zinc/26/05/31/1338260531.db2.gz QEJDOUNOKUHCCF-KBXCAEBGSA-N 1 2 339.464 3.114 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c(F)c1 ZINC001015752176 1338289663 /nfs/dbraw/zinc/28/96/63/1338289663.db2.gz OGYQDKRQYDDDLL-KRWDZBQOSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c(F)c1 ZINC001015752176 1338289667 /nfs/dbraw/zinc/28/96/67/1338289667.db2.gz OGYQDKRQYDDDLL-KRWDZBQOSA-N 1 2 337.398 3.010 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccccc3Cl)C2)s1 ZINC001016066074 1338439641 /nfs/dbraw/zinc/43/96/41/1338439641.db2.gz KJKNQJQOJHHNPI-LBPRGKRZSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccccc3Cl)C2)s1 ZINC001016066074 1338439642 /nfs/dbraw/zinc/43/96/42/1338439642.db2.gz KJKNQJQOJHHNPI-LBPRGKRZSA-N 1 2 345.855 3.277 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)cc1 ZINC001016075995 1338447640 /nfs/dbraw/zinc/44/76/40/1338447640.db2.gz CFXXUATYDKJSSG-SFHVURJKSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)cc1 ZINC001016075995 1338447641 /nfs/dbraw/zinc/44/76/41/1338447641.db2.gz CFXXUATYDKJSSG-SFHVURJKSA-N 1 2 337.398 3.010 20 30 EGEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1occ2c1CCCC2 ZINC001016110476 1338466286 /nfs/dbraw/zinc/46/62/86/1338466286.db2.gz UNUAUKXRPURZMV-IBGZPJMESA-N 1 2 348.446 3.014 20 30 EGEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1occ2c1CCCC2 ZINC001016110476 1338466288 /nfs/dbraw/zinc/46/62/88/1338466288.db2.gz UNUAUKXRPURZMV-IBGZPJMESA-N 1 2 348.446 3.014 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(OCC3CC3)cc2)C1 ZINC001016293814 1338537380 /nfs/dbraw/zinc/53/73/80/1338537380.db2.gz DDVPVPRPBVOFGU-INIZCTEOSA-N 1 2 334.847 3.032 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(OCC3CC3)cc2)C1 ZINC001016293814 1338537383 /nfs/dbraw/zinc/53/73/83/1338537383.db2.gz DDVPVPRPBVOFGU-INIZCTEOSA-N 1 2 334.847 3.032 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCc3ccccc32)C1 ZINC001016352980 1338562222 /nfs/dbraw/zinc/56/22/22/1338562222.db2.gz HRZWRJFPLGHFDV-WMZOPIPTSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCc3ccccc32)C1 ZINC001016352980 1338562223 /nfs/dbraw/zinc/56/22/23/1338562223.db2.gz HRZWRJFPLGHFDV-WMZOPIPTSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(-c2ccco2)s1 ZINC001018199903 1339529394 /nfs/dbraw/zinc/52/93/94/1339529394.db2.gz RRXSVUIDLVJALY-OKILXGFUSA-N 1 2 343.452 3.268 20 30 EGEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(-c2ccco2)s1 ZINC001018199903 1339529398 /nfs/dbraw/zinc/52/93/98/1339529398.db2.gz RRXSVUIDLVJALY-OKILXGFUSA-N 1 2 343.452 3.268 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C)c(OCC)c1 ZINC001028178935 1340470276 /nfs/dbraw/zinc/47/02/76/1340470276.db2.gz ZKXHNWAECDIAQD-INIZCTEOSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C)c(OCC)c1 ZINC001028178935 1340470279 /nfs/dbraw/zinc/47/02/79/1340470279.db2.gz ZKXHNWAECDIAQD-INIZCTEOSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(C)s1 ZINC001028192158 1340476886 /nfs/dbraw/zinc/47/68/86/1340476886.db2.gz DIIIGNJIZQXAMS-RBSFLKMASA-N 1 2 338.904 3.493 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(C)s1 ZINC001028192158 1340476890 /nfs/dbraw/zinc/47/68/90/1340476890.db2.gz DIIIGNJIZQXAMS-RBSFLKMASA-N 1 2 338.904 3.493 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ncc(Cl)cc1Cl ZINC001028224491 1340492530 /nfs/dbraw/zinc/49/25/30/1340492530.db2.gz BPXLEVUDVYZVGU-LLVKDONJSA-N 1 2 348.661 3.335 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ncc(Cl)cc1Cl ZINC001028224491 1340492532 /nfs/dbraw/zinc/49/25/32/1340492532.db2.gz BPXLEVUDVYZVGU-LLVKDONJSA-N 1 2 348.661 3.335 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(F)c1OCC ZINC001028228126 1340494168 /nfs/dbraw/zinc/49/41/68/1340494168.db2.gz KBNYZZOINZCVMZ-CYBMUJFWSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(F)c1OCC ZINC001028228126 1340494169 /nfs/dbraw/zinc/49/41/69/1340494169.db2.gz KBNYZZOINZCVMZ-CYBMUJFWSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1csc(CC(C)C)n1 ZINC001028346940 1340586067 /nfs/dbraw/zinc/58/60/67/1340586067.db2.gz KKPFSNLNLZHAAC-ZDUSSCGKSA-N 1 2 341.908 3.288 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1csc(CC(C)C)n1 ZINC001028346940 1340586070 /nfs/dbraw/zinc/58/60/70/1340586070.db2.gz KKPFSNLNLZHAAC-ZDUSSCGKSA-N 1 2 341.908 3.288 20 30 EGEDLO CC[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029218798 1340957243 /nfs/dbraw/zinc/95/72/43/1340957243.db2.gz CXBDONVATHJLPU-LZQZEXGQSA-N 1 2 344.886 3.413 20 30 EGEDLO CC[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029218798 1340957244 /nfs/dbraw/zinc/95/72/44/1340957244.db2.gz CXBDONVATHJLPU-LZQZEXGQSA-N 1 2 344.886 3.413 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)C1 ZINC001029466729 1340996945 /nfs/dbraw/zinc/99/69/45/1340996945.db2.gz XIKVCKCJLKKELC-BGYRXZFFSA-N 1 2 334.463 3.070 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)C1 ZINC001029466729 1340996947 /nfs/dbraw/zinc/99/69/47/1340996947.db2.gz XIKVCKCJLKKELC-BGYRXZFFSA-N 1 2 334.463 3.070 20 30 EGEDLO C[C@@H]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2C#N)C1 ZINC001029500458 1341001619 /nfs/dbraw/zinc/00/16/19/1341001619.db2.gz DRMDCEWQRSIICJ-GJJHYRHESA-N 1 2 337.467 3.170 20 30 EGEDLO C[C@@H]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2C#N)C1 ZINC001029500458 1341001620 /nfs/dbraw/zinc/00/16/20/1341001620.db2.gz DRMDCEWQRSIICJ-GJJHYRHESA-N 1 2 337.467 3.170 20 30 EGEDLO CC(C)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029535496 1341007310 /nfs/dbraw/zinc/00/73/10/1341007310.db2.gz XEZYUGYKFBIRRZ-DACLVMHWSA-N 1 2 343.496 3.087 20 30 EGEDLO CC(C)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029535496 1341007312 /nfs/dbraw/zinc/00/73/12/1341007312.db2.gz XEZYUGYKFBIRRZ-DACLVMHWSA-N 1 2 343.496 3.087 20 30 EGEDLO C=C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/Cl)c1ccccc1 ZINC001029593672 1341018146 /nfs/dbraw/zinc/01/81/46/1341018146.db2.gz FOLNHBXOTGCXSR-SVRHCFLGSA-N 1 2 330.859 3.384 20 30 EGEDLO C=C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C/Cl)c1ccccc1 ZINC001029593672 1341018147 /nfs/dbraw/zinc/01/81/47/1341018147.db2.gz FOLNHBXOTGCXSR-SVRHCFLGSA-N 1 2 330.859 3.384 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccc3[nH]c(C)nc32)CC[C@H]1C ZINC001071968395 1355050541 /nfs/dbraw/zinc/05/05/41/1355050541.db2.gz UOLQSAWEXIVDHN-TZMCWYRMSA-N 1 2 346.862 3.207 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cccc3[nH]c(C)nc32)CC[C@H]1C ZINC001071968395 1355050543 /nfs/dbraw/zinc/05/05/43/1355050543.db2.gz UOLQSAWEXIVDHN-TZMCWYRMSA-N 1 2 346.862 3.207 20 30 EGEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1CC=CCC1 ZINC001031544915 1341366814 /nfs/dbraw/zinc/36/68/14/1341366814.db2.gz UKRQSMLYRCIBAO-GOSISDBHSA-N 1 2 342.870 3.096 20 30 EGEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)C1=CCCCCC1 ZINC001031631452 1341378389 /nfs/dbraw/zinc/37/83/89/1341378389.db2.gz QTGYSMLNPXDANM-UHFFFAOYSA-N 1 2 340.442 3.116 20 30 EGEDLO CC1(C)CC(C(=O)NCC2C[NH+](CC#Cc3cccc(Cl)c3)C2)C1 ZINC001031649270 1341381611 /nfs/dbraw/zinc/38/16/11/1341381611.db2.gz TVTZRADKLVIHLX-UHFFFAOYSA-N 1 2 344.886 3.176 20 30 EGEDLO C=CCn1cccc1C(=O)NCC1C[NH+](Cc2sccc2Cl)C1 ZINC001031731193 1341394411 /nfs/dbraw/zinc/39/44/11/1341394411.db2.gz NKOHTNDQVRWICT-UHFFFAOYSA-N 1 2 349.887 3.251 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC001031773703 1341400095 /nfs/dbraw/zinc/40/00/95/1341400095.db2.gz YLNKHQHXLJDXMC-OLZOCXBDSA-N 1 2 338.801 3.156 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)C1 ZINC001031874250 1341414996 /nfs/dbraw/zinc/41/49/96/1341414996.db2.gz PKVILZZZRDLRAU-SJORKVTESA-N 1 2 336.838 3.120 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2[nH]c3ccc(C)cc3c2C)C1 ZINC001032095012 1341454423 /nfs/dbraw/zinc/45/44/23/1341454423.db2.gz RWMQXZRFHQNPSH-UHFFFAOYSA-N 1 2 331.847 3.199 20 30 EGEDLO Cc1cc(C)cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)c1 ZINC001032151880 1341465359 /nfs/dbraw/zinc/46/53/59/1341465359.db2.gz ZBKOURPVUBGCKT-UHFFFAOYSA-N 1 2 339.464 3.098 20 30 EGEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2ccccc2)cc1 ZINC001032761396 1341605514 /nfs/dbraw/zinc/60/55/14/1341605514.db2.gz SNBQRJBYCKROCZ-SFTDATJTSA-N 1 2 330.431 3.276 20 30 EGEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2ccccc2)cc1 ZINC001032761396 1341605515 /nfs/dbraw/zinc/60/55/15/1341605515.db2.gz SNBQRJBYCKROCZ-SFTDATJTSA-N 1 2 330.431 3.276 20 30 EGEDLO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)s1 ZINC001032884241 1341651100 /nfs/dbraw/zinc/65/11/00/1341651100.db2.gz LSLVPTJKUSTISO-GOSISDBHSA-N 1 2 338.476 3.255 20 30 EGEDLO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)s1 ZINC001032884241 1341651102 /nfs/dbraw/zinc/65/11/02/1341651102.db2.gz LSLVPTJKUSTISO-GOSISDBHSA-N 1 2 338.476 3.255 20 30 EGEDLO CN(C(=O)C=C1CCC1)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001032996390 1341690209 /nfs/dbraw/zinc/69/02/09/1341690209.db2.gz KRXXYJQFYJNFJP-GOSISDBHSA-N 1 2 342.870 3.335 20 30 EGEDLO CN(C(=O)C=C1CCC1)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001032996390 1341690211 /nfs/dbraw/zinc/69/02/11/1341690211.db2.gz KRXXYJQFYJNFJP-GOSISDBHSA-N 1 2 342.870 3.335 20 30 EGEDLO C=CCn1cccc1C(=O)N(C)[C@H]1CC[N@H+](CC=C(Cl)Cl)C1 ZINC001033144725 1341738749 /nfs/dbraw/zinc/73/87/49/1341738749.db2.gz AXUBSZBGOMOENO-ZDUSSCGKSA-N 1 2 342.270 3.139 20 30 EGEDLO C=CCn1cccc1C(=O)N(C)[C@H]1CC[N@@H+](CC=C(Cl)Cl)C1 ZINC001033144725 1341738750 /nfs/dbraw/zinc/73/87/50/1341738750.db2.gz AXUBSZBGOMOENO-ZDUSSCGKSA-N 1 2 342.270 3.139 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2cccc(C3CC3)c2)C1 ZINC001033290049 1341768652 /nfs/dbraw/zinc/76/86/52/1341768652.db2.gz MRUDCMNNDVGUPV-SFHVURJKSA-N 1 2 332.875 3.392 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2cccc(C3CC3)c2)C1 ZINC001033290049 1341768653 /nfs/dbraw/zinc/76/86/53/1341768653.db2.gz MRUDCMNNDVGUPV-SFHVURJKSA-N 1 2 332.875 3.392 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(F)c(Cl)c2)C1 ZINC001033383209 1341805192 /nfs/dbraw/zinc/80/51/92/1341805192.db2.gz ICHIYXRQONZONX-LBPRGKRZSA-N 1 2 331.218 3.378 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(F)c(Cl)c2)C1 ZINC001033383209 1341805193 /nfs/dbraw/zinc/80/51/93/1341805193.db2.gz ICHIYXRQONZONX-LBPRGKRZSA-N 1 2 331.218 3.378 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2c(C)[nH]c3ccccc32)C1 ZINC001033389112 1341807792 /nfs/dbraw/zinc/80/77/92/1341807792.db2.gz WGVVRCLQSIRQRI-OAHLLOKOSA-N 1 2 345.874 3.304 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c(C)[nH]c3ccccc32)C1 ZINC001033389112 1341807793 /nfs/dbraw/zinc/80/77/93/1341807793.db2.gz WGVVRCLQSIRQRI-OAHLLOKOSA-N 1 2 345.874 3.304 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001033580680 1341881730 /nfs/dbraw/zinc/88/17/30/1341881730.db2.gz GZWYCZBRWHLRGC-KGLIPLIRSA-N 1 2 326.893 3.445 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001033580680 1341881731 /nfs/dbraw/zinc/88/17/31/1341881731.db2.gz GZWYCZBRWHLRGC-KGLIPLIRSA-N 1 2 326.893 3.445 20 30 EGEDLO CN(C(=O)C(C)(C)C)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033602598 1341893085 /nfs/dbraw/zinc/89/30/85/1341893085.db2.gz CDFAPAWCKFPYRQ-INIZCTEOSA-N 1 2 332.875 3.270 20 30 EGEDLO CN(C(=O)C(C)(C)C)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033602598 1341893086 /nfs/dbraw/zinc/89/30/86/1341893086.db2.gz CDFAPAWCKFPYRQ-INIZCTEOSA-N 1 2 332.875 3.270 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc3c2OCC3(C)C)C1 ZINC001033717544 1341974547 /nfs/dbraw/zinc/97/45/47/1341974547.db2.gz DNSUMZZGCXUCES-CQSZACIVSA-N 1 2 348.874 3.255 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3c2OCC3(C)C)C1 ZINC001033717544 1341974549 /nfs/dbraw/zinc/97/45/49/1341974549.db2.gz DNSUMZZGCXUCES-CQSZACIVSA-N 1 2 348.874 3.255 20 30 EGEDLO CCN(C(=O)[C@H]1CC1(C)C)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033800648 1342017804 /nfs/dbraw/zinc/01/78/04/1342017804.db2.gz XJTPTVBRACZJBQ-ZWKOTPCHSA-N 1 2 343.446 3.166 20 30 EGEDLO CCN(C(=O)[C@H]1CC1(C)C)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033800648 1342017806 /nfs/dbraw/zinc/01/78/06/1342017806.db2.gz XJTPTVBRACZJBQ-ZWKOTPCHSA-N 1 2 343.446 3.166 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2nc(C(C)C)oc2C)C1 ZINC001033838634 1342035716 /nfs/dbraw/zinc/03/57/16/1342035716.db2.gz YPLJKQDIGOUYEV-AWEZNQCLSA-N 1 2 339.867 3.395 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2nc(C(C)C)oc2C)C1 ZINC001033838634 1342035721 /nfs/dbraw/zinc/03/57/21/1342035721.db2.gz YPLJKQDIGOUYEV-AWEZNQCLSA-N 1 2 339.867 3.395 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCCC2(F)F)C1 ZINC001033907778 1342079293 /nfs/dbraw/zinc/07/92/93/1342079293.db2.gz JOHOGPOWRFHRGC-UONOGXRCSA-N 1 2 334.838 3.487 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCCC2(F)F)C1 ZINC001033907778 1342079298 /nfs/dbraw/zinc/07/92/98/1342079298.db2.gz JOHOGPOWRFHRGC-UONOGXRCSA-N 1 2 334.838 3.487 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2Cc3ccc(F)cc32)C1 ZINC001033935514 1342098704 /nfs/dbraw/zinc/09/87/04/1342098704.db2.gz GHMVZWIRLWVURC-NVXWUHKLSA-N 1 2 336.838 3.141 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2Cc3ccc(F)cc32)C1 ZINC001033935514 1342098708 /nfs/dbraw/zinc/09/87/08/1342098708.db2.gz GHMVZWIRLWVURC-NVXWUHKLSA-N 1 2 336.838 3.141 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@H+](Cc3nc(C)c(C)o3)C2)CC1 ZINC001033943798 1342105115 /nfs/dbraw/zinc/10/51/15/1342105115.db2.gz CJXNKMSTZYLRJV-SFHVURJKSA-N 1 2 345.487 3.461 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](Cc3nc(C)c(C)o3)C2)CC1 ZINC001033943798 1342105116 /nfs/dbraw/zinc/10/51/16/1342105116.db2.gz CJXNKMSTZYLRJV-SFHVURJKSA-N 1 2 345.487 3.461 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2occ3c2CCCC3)C1 ZINC001034028783 1342167128 /nfs/dbraw/zinc/16/71/28/1342167128.db2.gz JFXYKNDQCNDJHT-OAHLLOKOSA-N 1 2 336.863 3.447 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2occ3c2CCCC3)C1 ZINC001034028783 1342167131 /nfs/dbraw/zinc/16/71/31/1342167131.db2.gz JFXYKNDQCNDJHT-OAHLLOKOSA-N 1 2 336.863 3.447 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2c(F)cccc2OC)C1 ZINC001034215916 1342323298 /nfs/dbraw/zinc/32/32/98/1342323298.db2.gz CBXVLQLNIZUXTM-ZDUSSCGKSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2c(F)cccc2OC)C1 ZINC001034215916 1342323302 /nfs/dbraw/zinc/32/33/02/1342323302.db2.gz CBXVLQLNIZUXTM-ZDUSSCGKSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@H+](Cc3cscn3)C2)CC1 ZINC001034382527 1342451251 /nfs/dbraw/zinc/45/12/51/1342451251.db2.gz RRTOUVAYYUOKNS-INIZCTEOSA-N 1 2 333.501 3.360 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@@H+](Cc3cscn3)C2)CC1 ZINC001034382527 1342451254 /nfs/dbraw/zinc/45/12/54/1342451254.db2.gz RRTOUVAYYUOKNS-INIZCTEOSA-N 1 2 333.501 3.360 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@@H+](Cc3nc(C)oc3C)C2)C1 ZINC001034388005 1342456483 /nfs/dbraw/zinc/45/64/83/1342456483.db2.gz ANEFUSWLKUDOGQ-INIZCTEOSA-N 1 2 331.460 3.118 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@H+](Cc3nc(C)oc3C)C2)C1 ZINC001034388005 1342456494 /nfs/dbraw/zinc/45/64/94/1342456494.db2.gz ANEFUSWLKUDOGQ-INIZCTEOSA-N 1 2 331.460 3.118 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(CCC)c(C)s2)C1 ZINC001035600902 1343098422 /nfs/dbraw/zinc/09/84/22/1343098422.db2.gz SYCOQXIKWCRKDQ-MRXNPFEDSA-N 1 2 336.501 3.016 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(CCC)c(C)s2)C1 ZINC001035600902 1343098427 /nfs/dbraw/zinc/09/84/27/1343098427.db2.gz SYCOQXIKWCRKDQ-MRXNPFEDSA-N 1 2 336.501 3.016 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cc3cnccc3o1)CC2 ZINC001035742877 1343164126 /nfs/dbraw/zinc/16/41/26/1343164126.db2.gz CPZKOFMPLLCADU-UHFFFAOYSA-N 1 2 345.830 3.118 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1nc(Cl)cs1)CC2 ZINC001035776838 1343188139 /nfs/dbraw/zinc/18/81/39/1343188139.db2.gz UVXQYLFLLYACDC-UHFFFAOYSA-N 1 2 346.283 3.087 20 30 EGEDLO C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038169256 1344308942 /nfs/dbraw/zinc/30/89/42/1344308942.db2.gz SLNRBBSZYRRDPD-SWLSCSKDSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038169256 1344308946 /nfs/dbraw/zinc/30/89/46/1344308946.db2.gz SLNRBBSZYRRDPD-SWLSCSKDSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038169186 1344309391 /nfs/dbraw/zinc/30/93/91/1344309391.db2.gz RQLHTNGIUWHONR-SJCJKPOMSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038169186 1344309396 /nfs/dbraw/zinc/30/93/96/1344309396.db2.gz RQLHTNGIUWHONR-SJCJKPOMSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038169190 1344309531 /nfs/dbraw/zinc/30/95/31/1344309531.db2.gz RQLHTNGIUWHONR-YVEFUNNKSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038169190 1344309534 /nfs/dbraw/zinc/30/95/34/1344309534.db2.gz RQLHTNGIUWHONR-YVEFUNNKSA-N 1 2 342.830 3.105 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2sccc2Cl)cc1 ZINC001038289879 1344361534 /nfs/dbraw/zinc/36/15/34/1344361534.db2.gz RCQKPMKBFNFQHT-AWEZNQCLSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2sccc2Cl)cc1 ZINC001038289879 1344361538 /nfs/dbraw/zinc/36/15/38/1344361538.db2.gz RCQKPMKBFNFQHT-AWEZNQCLSA-N 1 2 345.855 3.277 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2[C@@H](C)c2ccccc2F)cc1 ZINC001038580769 1344491752 /nfs/dbraw/zinc/49/17/52/1344491752.db2.gz CVIIMHNRKWMNGW-YJBOKZPZSA-N 1 2 336.410 3.372 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2[C@@H](C)c2ccccc2F)cc1 ZINC001038580769 1344491755 /nfs/dbraw/zinc/49/17/55/1344491755.db2.gz CVIIMHNRKWMNGW-YJBOKZPZSA-N 1 2 336.410 3.372 20 30 EGEDLO CC1(C)CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001038604400 1344499687 /nfs/dbraw/zinc/49/96/87/1344499687.db2.gz SYIXOXPHMDOIRA-IAGOWNOFSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001038604400 1344499689 /nfs/dbraw/zinc/49/96/89/1344499689.db2.gz SYIXOXPHMDOIRA-IAGOWNOFSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]2Cc2c(C)nsc2C)CC1 ZINC001038662844 1344528059 /nfs/dbraw/zinc/52/80/59/1344528059.db2.gz UWVFCNPYWLJXTL-MRXNPFEDSA-N 1 2 333.501 3.197 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2Cc2c(C)nsc2C)CC1 ZINC001038662844 1344528061 /nfs/dbraw/zinc/52/80/61/1344528061.db2.gz UWVFCNPYWLJXTL-MRXNPFEDSA-N 1 2 333.501 3.197 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]2Cc2cc(F)ccc2OC)CC1 ZINC001038665611 1344530190 /nfs/dbraw/zinc/53/01/90/1344530190.db2.gz FKOCWWUOUYYDRT-GOSISDBHSA-N 1 2 346.446 3.271 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2Cc2cc(F)ccc2OC)CC1 ZINC001038665611 1344530195 /nfs/dbraw/zinc/53/01/95/1344530195.db2.gz FKOCWWUOUYYDRT-GOSISDBHSA-N 1 2 346.446 3.271 20 30 EGEDLO CC1(C)CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)C1 ZINC001038674041 1344536510 /nfs/dbraw/zinc/53/65/10/1344536510.db2.gz MJCRIPCDGWIGBJ-UONOGXRCSA-N 1 2 331.485 3.137 20 30 EGEDLO CC1(C)CC[C@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)C1 ZINC001038674041 1344536513 /nfs/dbraw/zinc/53/65/13/1344536513.db2.gz MJCRIPCDGWIGBJ-UONOGXRCSA-N 1 2 331.485 3.137 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccsc2Cl)c1 ZINC001038773617 1344579115 /nfs/dbraw/zinc/57/91/15/1344579115.db2.gz SHPXBMGLUGFGJB-AWEZNQCLSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccsc2Cl)c1 ZINC001038773617 1344579117 /nfs/dbraw/zinc/57/91/17/1344579117.db2.gz SHPXBMGLUGFGJB-AWEZNQCLSA-N 1 2 345.855 3.277 20 30 EGEDLO CCCc1occc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001038913365 1344649839 /nfs/dbraw/zinc/64/98/39/1344649839.db2.gz MHTIUUSLBCFAOO-KRWDZBQOSA-N 1 2 337.423 3.108 20 30 EGEDLO CCCc1occc1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001038913365 1344649841 /nfs/dbraw/zinc/64/98/41/1344649841.db2.gz MHTIUUSLBCFAOO-KRWDZBQOSA-N 1 2 337.423 3.108 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc3ccccc3o2)cc1 ZINC001038991514 1344701595 /nfs/dbraw/zinc/70/15/95/1344701595.db2.gz KATDUEAXFRFDOL-SFHVURJKSA-N 1 2 345.402 3.309 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc3ccccc3o2)cc1 ZINC001038991514 1344701600 /nfs/dbraw/zinc/70/16/00/1344701600.db2.gz KATDUEAXFRFDOL-SFHVURJKSA-N 1 2 345.402 3.309 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc3ccccc3o2)c1 ZINC001038992210 1344702931 /nfs/dbraw/zinc/70/29/31/1344702931.db2.gz RCCGIVPKZWCZDR-GOSISDBHSA-N 1 2 345.402 3.309 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc3ccccc3o2)c1 ZINC001038992210 1344702933 /nfs/dbraw/zinc/70/29/33/1344702933.db2.gz RCCGIVPKZWCZDR-GOSISDBHSA-N 1 2 345.402 3.309 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)C23CCC(CC2)CC3)s1 ZINC001039042015 1344729341 /nfs/dbraw/zinc/72/93/41/1344729341.db2.gz FZXYDRAFBRYKCT-HVEKOLDVSA-N 1 2 343.496 3.281 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)C23CCC(CC2)CC3)s1 ZINC001039042015 1344729343 /nfs/dbraw/zinc/72/93/43/1344729343.db2.gz FZXYDRAFBRYKCT-HVEKOLDVSA-N 1 2 343.496 3.281 20 30 EGEDLO Cc1cccc(F)c1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001039089146 1344762424 /nfs/dbraw/zinc/76/24/24/1344762424.db2.gz WMGYUAOCYZSXRT-KRWDZBQOSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cccc(F)c1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001039089146 1344762427 /nfs/dbraw/zinc/76/24/27/1344762427.db2.gz WMGYUAOCYZSXRT-KRWDZBQOSA-N 1 2 337.398 3.010 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(C)C ZINC001039324565 1345014481 /nfs/dbraw/zinc/01/44/81/1345014481.db2.gz NVXYUBOWSBVJQO-KGLIPLIRSA-N 1 2 329.282 3.006 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(C)C ZINC001039324565 1345014483 /nfs/dbraw/zinc/01/44/83/1345014483.db2.gz NVXYUBOWSBVJQO-KGLIPLIRSA-N 1 2 329.282 3.006 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCC1 ZINC001039419245 1345058442 /nfs/dbraw/zinc/05/84/42/1345058442.db2.gz MXQGIPRUASBFDE-KGLIPLIRSA-N 1 2 341.293 3.151 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCC1 ZINC001039419245 1345058443 /nfs/dbraw/zinc/05/84/43/1345058443.db2.gz MXQGIPRUASBFDE-KGLIPLIRSA-N 1 2 341.293 3.151 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccsc1C ZINC001039447844 1345072363 /nfs/dbraw/zinc/07/23/63/1345072363.db2.gz MGVKPEYOFBZJAR-CVEARBPZSA-N 1 2 338.904 3.417 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccsc1C ZINC001039447844 1345072367 /nfs/dbraw/zinc/07/23/67/1345072367.db2.gz MGVKPEYOFBZJAR-CVEARBPZSA-N 1 2 338.904 3.417 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)cc(F)c1 ZINC001039467403 1345085282 /nfs/dbraw/zinc/08/52/82/1345085282.db2.gz IPNFQTRVNJIPNM-CVEARBPZSA-N 1 2 340.801 3.396 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)cc(F)c1 ZINC001039467403 1345085285 /nfs/dbraw/zinc/08/52/85/1345085285.db2.gz IPNFQTRVNJIPNM-CVEARBPZSA-N 1 2 340.801 3.396 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)n1c(C)ccc1C ZINC001039474592 1345089007 /nfs/dbraw/zinc/08/90/07/1345089007.db2.gz PQFDYBLDDSTHMS-KSZLIROESA-N 1 2 349.906 3.484 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)n1c(C)ccc1C ZINC001039474592 1345089011 /nfs/dbraw/zinc/08/90/11/1345089011.db2.gz PQFDYBLDDSTHMS-KSZLIROESA-N 1 2 349.906 3.484 20 30 EGEDLO C[C@H](c1ccccc1F)[N@H+]1[C@@H]2CCC[C@H]1CN(C(=O)[C@@H](C)C#N)C2 ZINC001039527709 1345130266 /nfs/dbraw/zinc/13/02/66/1345130266.db2.gz ALXZAQDWCOOSDW-XUWVNRHRSA-N 1 2 329.419 3.112 20 30 EGEDLO C[C@H](c1ccccc1F)[N@@H+]1[C@@H]2CCC[C@H]1CN(C(=O)[C@@H](C)C#N)C2 ZINC001039527709 1345130269 /nfs/dbraw/zinc/13/02/69/1345130269.db2.gz ALXZAQDWCOOSDW-XUWVNRHRSA-N 1 2 329.419 3.112 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1c(C)noc1C ZINC001039895644 1345238371 /nfs/dbraw/zinc/23/83/71/1345238371.db2.gz WHXCEXGXJKSSFH-QKLQHJQFSA-N 1 2 345.487 3.459 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1c(C)noc1C ZINC001039895644 1345238374 /nfs/dbraw/zinc/23/83/74/1345238374.db2.gz WHXCEXGXJKSSFH-QKLQHJQFSA-N 1 2 345.487 3.459 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1cccs1 ZINC001079376660 1357239329 /nfs/dbraw/zinc/23/93/29/1357239329.db2.gz FNTVXMILWPBHCX-MLGOLLRUSA-N 1 2 343.427 3.009 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1cccs1 ZINC001079376660 1357239333 /nfs/dbraw/zinc/23/93/33/1357239333.db2.gz FNTVXMILWPBHCX-MLGOLLRUSA-N 1 2 343.427 3.009 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](CNc2cc[nH+]c(C)n2)[C@@H](C)C1 ZINC001040440406 1345501374 /nfs/dbraw/zinc/50/13/74/1345501374.db2.gz VKBWBKSTJHRNRH-HOCLYGCPSA-N 1 2 330.476 3.284 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ncc(CC)o4)[C@H]3C2)C1 ZINC001042227382 1345996016 /nfs/dbraw/zinc/99/60/16/1345996016.db2.gz JLYYMDPKZLSHFV-WBVHZDCISA-N 1 2 343.471 3.016 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](Cc4ncc(CC)o4)[C@H]3C2)C1 ZINC001042227382 1345996017 /nfs/dbraw/zinc/99/60/17/1345996017.db2.gz JLYYMDPKZLSHFV-WBVHZDCISA-N 1 2 343.471 3.016 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cnoc3C(C)C)C[C@H]21 ZINC001042296654 1346020892 /nfs/dbraw/zinc/02/08/92/1346020892.db2.gz DITKDTSWBBITLX-UKRRQHHQSA-N 1 2 337.851 3.087 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnoc3C(C)C)C[C@H]21 ZINC001042296654 1346020894 /nfs/dbraw/zinc/02/08/94/1346020894.db2.gz DITKDTSWBBITLX-UKRRQHHQSA-N 1 2 337.851 3.087 20 30 EGEDLO CC1(NC(=O)c2ccco2)CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001045344195 1346566975 /nfs/dbraw/zinc/56/69/75/1346566975.db2.gz RKSNXNCBEJIHDC-UHFFFAOYSA-N 1 2 341.386 3.075 20 30 EGEDLO CC1(NC(=O)C2CC=CC2)CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001045395165 1346582041 /nfs/dbraw/zinc/58/20/41/1346582041.db2.gz CYYCOXYKOHNHJS-UHFFFAOYSA-N 1 2 341.430 3.134 20 30 EGEDLO CC1CC(C(=O)NC2(C)CC[NH+](Cc3cc(F)ccc3C#N)CC2)C1 ZINC001045405308 1346585503 /nfs/dbraw/zinc/58/55/03/1346585503.db2.gz KRYJSWIZGNSUEH-UHFFFAOYSA-N 1 2 343.446 3.214 20 30 EGEDLO C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(F)C(F)(F)F)C2 ZINC001045939704 1346775538 /nfs/dbraw/zinc/77/55/38/1346775538.db2.gz GQXYLCFELBHNAA-UKRRQHHQSA-N 1 2 336.373 3.168 20 30 EGEDLO C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(F)C(F)(F)F)C2 ZINC001045939704 1346775540 /nfs/dbraw/zinc/77/55/40/1346775540.db2.gz GQXYLCFELBHNAA-UKRRQHHQSA-N 1 2 336.373 3.168 20 30 EGEDLO C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](F)C(F)(F)F)C2 ZINC001045939704 1346775541 /nfs/dbraw/zinc/77/55/41/1346775541.db2.gz GQXYLCFELBHNAA-UKRRQHHQSA-N 1 2 336.373 3.168 20 30 EGEDLO C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](F)C(F)(F)F)C2 ZINC001045939704 1346775543 /nfs/dbraw/zinc/77/55/43/1346775543.db2.gz GQXYLCFELBHNAA-UKRRQHHQSA-N 1 2 336.373 3.168 20 30 EGEDLO C[C@@]1(NC(=O)C2CCCC2)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001046098681 1346838630 /nfs/dbraw/zinc/83/86/30/1346838630.db2.gz ZNVLHGWQZYYLPI-HXUWFJFHSA-N 1 2 344.886 3.462 20 30 EGEDLO C[C@@]1(NC(=O)C2CCCC2)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001046098681 1346838634 /nfs/dbraw/zinc/83/86/34/1346838634.db2.gz ZNVLHGWQZYYLPI-HXUWFJFHSA-N 1 2 344.886 3.462 20 30 EGEDLO C[C@@]1(NC(=O)c2cccs2)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046115010 1346852538 /nfs/dbraw/zinc/85/25/38/1346852538.db2.gz CVENQFNYRKKVOZ-GOSISDBHSA-N 1 2 343.427 3.153 20 30 EGEDLO C[C@@]1(NC(=O)c2cccs2)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046115010 1346852540 /nfs/dbraw/zinc/85/25/40/1346852540.db2.gz CVENQFNYRKKVOZ-GOSISDBHSA-N 1 2 343.427 3.153 20 30 EGEDLO C[C@@]1(NC(=O)c2sccc2F)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046296071 1346925603 /nfs/dbraw/zinc/92/56/03/1346925603.db2.gz HDCAUNHDEONHMQ-LJQANCHMSA-N 1 2 342.439 3.133 20 30 EGEDLO C[C@@]1(NC(=O)c2sccc2F)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046296071 1346925607 /nfs/dbraw/zinc/92/56/07/1346925607.db2.gz HDCAUNHDEONHMQ-LJQANCHMSA-N 1 2 342.439 3.133 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001046531721 1347006236 /nfs/dbraw/zinc/00/62/36/1347006236.db2.gz OSKGTUQKERCKFX-KRWDZBQOSA-N 1 2 335.810 3.254 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001046531721 1347006240 /nfs/dbraw/zinc/00/62/40/1347006240.db2.gz OSKGTUQKERCKFX-KRWDZBQOSA-N 1 2 335.810 3.254 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2oc3ccccc3c2OC)C1 ZINC001046537491 1347007685 /nfs/dbraw/zinc/00/76/85/1347007685.db2.gz UBQDBJBWINFOPZ-GOSISDBHSA-N 1 2 348.830 3.388 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2oc3ccccc3c2OC)C1 ZINC001046537491 1347007688 /nfs/dbraw/zinc/00/76/88/1347007688.db2.gz UBQDBJBWINFOPZ-GOSISDBHSA-N 1 2 348.830 3.388 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001046551938 1347013427 /nfs/dbraw/zinc/01/34/27/1347013427.db2.gz QDDWHCPMQKSEON-CJNGLKHVSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001046551938 1347013429 /nfs/dbraw/zinc/01/34/29/1347013429.db2.gz QDDWHCPMQKSEON-CJNGLKHVSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C1CCC(C(=O)N[C@]2(C)CC[N@@H+]([C@@H](C)c3nc(CC)no3)C2)CC1 ZINC001046599725 1347033249 /nfs/dbraw/zinc/03/32/49/1347033249.db2.gz YLXXVOCIOKSIBV-IFXJQAMLSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CCC(C(=O)N[C@]2(C)CC[N@H+]([C@@H](C)c3nc(CC)no3)C2)CC1 ZINC001046599725 1347033252 /nfs/dbraw/zinc/03/32/52/1347033252.db2.gz YLXXVOCIOKSIBV-IFXJQAMLSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001046609176 1347038437 /nfs/dbraw/zinc/03/84/37/1347038437.db2.gz UCYVQWVRUQKHBR-BBRMVZONSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001046609176 1347038439 /nfs/dbraw/zinc/03/84/39/1347038439.db2.gz UCYVQWVRUQKHBR-BBRMVZONSA-N 1 2 343.309 3.302 20 30 EGEDLO C[C@]1(NC(=O)[C@@H]2CC23CC3)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001046658474 1347052686 /nfs/dbraw/zinc/05/26/86/1347052686.db2.gz ZWIOANARIUKQTR-LPHOPBHVSA-N 1 2 342.870 3.072 20 30 EGEDLO C[C@]1(NC(=O)[C@@H]2CC23CC3)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001046658474 1347052687 /nfs/dbraw/zinc/05/26/87/1347052687.db2.gz ZWIOANARIUKQTR-LPHOPBHVSA-N 1 2 342.870 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cccc3c2OCC3(C)C)C1 ZINC001046881774 1347142868 /nfs/dbraw/zinc/14/28/68/1347142868.db2.gz VERPKLLCYGIEIR-LJQANCHMSA-N 1 2 348.874 3.303 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cccc3c2OCC3(C)C)C1 ZINC001046881774 1347142869 /nfs/dbraw/zinc/14/28/69/1347142869.db2.gz VERPKLLCYGIEIR-LJQANCHMSA-N 1 2 348.874 3.303 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CCC1 ZINC001049277912 1347765600 /nfs/dbraw/zinc/76/56/00/1347765600.db2.gz YJZDULKXWYCXNK-RTBURBONSA-N 1 2 341.430 3.063 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CCC1 ZINC001049277912 1347765602 /nfs/dbraw/zinc/76/56/02/1347765602.db2.gz YJZDULKXWYCXNK-RTBURBONSA-N 1 2 341.430 3.063 20 30 EGEDLO CC(C)CC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001049290479 1347772793 /nfs/dbraw/zinc/77/27/93/1347772793.db2.gz DNQNKMZLXMNLGC-RTBURBONSA-N 1 2 343.446 3.309 20 30 EGEDLO CC(C)CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001049290479 1347772794 /nfs/dbraw/zinc/77/27/94/1347772794.db2.gz DNQNKMZLXMNLGC-RTBURBONSA-N 1 2 343.446 3.309 20 30 EGEDLO CC[C@H](C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001049346178 1347799794 /nfs/dbraw/zinc/79/97/94/1347799794.db2.gz XOCSGTQTJGZMGM-JVPBZIDWSA-N 1 2 343.446 3.309 20 30 EGEDLO CC[C@H](C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001049346178 1347799796 /nfs/dbraw/zinc/79/97/96/1347799796.db2.gz XOCSGTQTJGZMGM-JVPBZIDWSA-N 1 2 343.446 3.309 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1occ2c1CCC2 ZINC001049617722 1347936824 /nfs/dbraw/zinc/93/68/24/1347936824.db2.gz KXEOZOPHSNFPOA-CVEARBPZSA-N 1 2 334.847 3.200 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1occ2c1CCC2 ZINC001049617722 1347936825 /nfs/dbraw/zinc/93/68/25/1347936825.db2.gz KXEOZOPHSNFPOA-CVEARBPZSA-N 1 2 334.847 3.200 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C(C)C)on1 ZINC001049622394 1347939587 /nfs/dbraw/zinc/93/95/87/1347939587.db2.gz ULIPJSBBYINXEV-LSDHHAIUSA-N 1 2 337.851 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C(C)C)on1 ZINC001049622394 1347939588 /nfs/dbraw/zinc/93/95/88/1347939588.db2.gz ULIPJSBBYINXEV-LSDHHAIUSA-N 1 2 337.851 3.229 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1nnc(C)s1 ZINC001049692634 1347975116 /nfs/dbraw/zinc/97/51/16/1347975116.db2.gz IBSPBKQFXBKRDK-IIDMSEBBSA-N 1 2 348.516 3.014 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1nnc(C)s1 ZINC001049692634 1347975117 /nfs/dbraw/zinc/97/51/17/1347975117.db2.gz IBSPBKQFXBKRDK-IIDMSEBBSA-N 1 2 348.516 3.014 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1nc(C)c(C)s1 ZINC001049898753 1348099138 /nfs/dbraw/zinc/09/91/38/1348099138.db2.gz DFXBFPNBUBBAPR-KBPBESRZSA-N 1 2 339.892 3.191 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1nc(C)c(C)s1 ZINC001049898753 1348099140 /nfs/dbraw/zinc/09/91/40/1348099140.db2.gz DFXBFPNBUBBAPR-KBPBESRZSA-N 1 2 339.892 3.191 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)c3scnc3Cl)[C@@H]2C1 ZINC001050204592 1348210970 /nfs/dbraw/zinc/21/09/70/1348210970.db2.gz GABLQBPLOSXSBK-WDEREUQCSA-N 1 2 346.283 3.085 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3scnc3Cl)[C@@H]2C1 ZINC001050204592 1348210967 /nfs/dbraw/zinc/21/09/67/1348210967.db2.gz GABLQBPLOSXSBK-WDEREUQCSA-N 1 2 346.283 3.085 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccccc1C(C)(C)CC ZINC001050971880 1348378397 /nfs/dbraw/zinc/37/83/97/1348378397.db2.gz AOGQMVVBMDJCPD-QGZVFWFLSA-N 1 2 344.499 3.381 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccccc1C(C)(C)CC ZINC001050971880 1348378403 /nfs/dbraw/zinc/37/84/03/1348378403.db2.gz AOGQMVVBMDJCPD-QGZVFWFLSA-N 1 2 344.499 3.381 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)C3CC=CC3)cccc2C1 ZINC001051283878 1348417548 /nfs/dbraw/zinc/41/75/48/1348417548.db2.gz PUFGWLOGRVOFRN-UHFFFAOYSA-N 1 2 330.859 3.380 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)C3CC=CC3)cccc2C1 ZINC001051283878 1348417549 /nfs/dbraw/zinc/41/75/49/1348417549.db2.gz PUFGWLOGRVOFRN-UHFFFAOYSA-N 1 2 330.859 3.380 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)[C@@H]3C[C@H]3C3CC3)cccc2C1 ZINC001051301138 1348425367 /nfs/dbraw/zinc/42/53/67/1348425367.db2.gz AROZXPMZRRZYMU-RBUKOAKNSA-N 1 2 344.886 3.460 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)[C@@H]3C[C@H]3C3CC3)cccc2C1 ZINC001051301138 1348425368 /nfs/dbraw/zinc/42/53/68/1348425368.db2.gz AROZXPMZRRZYMU-RBUKOAKNSA-N 1 2 344.886 3.460 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@H]1CCCCC1(C)C)CCO2 ZINC001053552480 1349061333 /nfs/dbraw/zinc/06/13/33/1349061333.db2.gz SCJVRZAHRHRXPN-QGZVFWFLSA-N 1 2 334.504 3.082 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)C13CCC(CC1)C3(C)C)O2 ZINC001053674708 1349090970 /nfs/dbraw/zinc/09/09/70/1349090970.db2.gz TXSDJTKIAFMBLA-BQIYRTECSA-N 1 2 346.515 3.129 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(CC(C)C)cc1)O2 ZINC001053696844 1349096229 /nfs/dbraw/zinc/09/62/29/1349096229.db2.gz PVIRUMJIWZUBNJ-LJQANCHMSA-N 1 2 342.483 3.034 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)C13CC(C(C)(C)C)(C1)C3)O2 ZINC001053701615 1349098701 /nfs/dbraw/zinc/09/87/01/1349098701.db2.gz YZTGYEFBARJKCE-PBPGXSGUSA-N 1 2 346.515 3.129 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001054041132 1349136218 /nfs/dbraw/zinc/13/62/18/1349136218.db2.gz HYBYVAUMEUVKTQ-ICSRJNTNSA-N 1 2 336.479 3.133 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001054041132 1349136221 /nfs/dbraw/zinc/13/62/21/1349136221.db2.gz HYBYVAUMEUVKTQ-ICSRJNTNSA-N 1 2 336.479 3.133 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cccc(Cl)c1 ZINC001054058923 1349140937 /nfs/dbraw/zinc/14/09/37/1349140937.db2.gz AVGAFELIXRYNTK-IBGZPJMESA-N 1 2 338.838 3.130 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cccc(Cl)c1 ZINC001054058923 1349140940 /nfs/dbraw/zinc/14/09/40/1349140940.db2.gz AVGAFELIXRYNTK-IBGZPJMESA-N 1 2 338.838 3.130 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc(C(C)C)cn3)cc2C1 ZINC001054281680 1349283116 /nfs/dbraw/zinc/28/31/16/1349283116.db2.gz VWCHUKFTXAJFOD-UHFFFAOYSA-N 1 2 333.435 3.084 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc(C(C)C)cn3)cc2C1 ZINC001054281680 1349283120 /nfs/dbraw/zinc/28/31/20/1349283120.db2.gz VWCHUKFTXAJFOD-UHFFFAOYSA-N 1 2 333.435 3.084 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cccc4c3CCC4)cc2C1 ZINC001054293038 1349299659 /nfs/dbraw/zinc/29/96/59/1349299659.db2.gz KRGVNHWJRFKVPV-UHFFFAOYSA-N 1 2 330.431 3.054 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cccc4c3CCC4)cc2C1 ZINC001054293038 1349299662 /nfs/dbraw/zinc/29/96/62/1349299662.db2.gz KRGVNHWJRFKVPV-UHFFFAOYSA-N 1 2 330.431 3.054 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(F)cc3ccoc32)C1 ZINC001080004028 1357455716 /nfs/dbraw/zinc/45/57/16/1357455716.db2.gz OBPWKESQOPDESC-MEBBXXQBSA-N 1 2 336.794 3.375 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(F)cc3ccoc32)C1 ZINC001080004028 1357455717 /nfs/dbraw/zinc/45/57/17/1357455717.db2.gz OBPWKESQOPDESC-MEBBXXQBSA-N 1 2 336.794 3.375 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001057013961 1349974757 /nfs/dbraw/zinc/97/47/57/1349974757.db2.gz DDVYKKVBXFDHSW-OXJNMPFZSA-N 1 2 342.487 3.302 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001059052510 1350350596 /nfs/dbraw/zinc/35/05/96/1350350596.db2.gz KGMQDEXFHUAIJR-HNAYVOBHSA-N 1 2 328.460 3.278 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCCN2c2nc(C)[nH+]c(C)c2C)CC1 ZINC001061436158 1351351349 /nfs/dbraw/zinc/35/13/49/1351351349.db2.gz VYBLIZLGVOIBDS-SFHVURJKSA-N 1 2 342.487 3.233 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nc(C)[nH+]c(C)c1C ZINC001064533533 1352617748 /nfs/dbraw/zinc/61/77/48/1352617748.db2.gz QGSNXOSAEHPAKZ-CALCHBBNSA-N 1 2 342.487 3.184 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@@](C)(CNc3cc[nH+]c(C)n3)C2)CC1 ZINC001065480990 1352806978 /nfs/dbraw/zinc/80/69/78/1352806978.db2.gz ZCUNLAGBFORWNN-IBGZPJMESA-N 1 2 328.460 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001080778074 1357736999 /nfs/dbraw/zinc/73/69/99/1357736999.db2.gz UMDXMIXFPAVZGD-LERXQTSPSA-N 1 2 326.893 3.349 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001080778074 1357737003 /nfs/dbraw/zinc/73/70/03/1357737003.db2.gz UMDXMIXFPAVZGD-LERXQTSPSA-N 1 2 326.893 3.349 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc(C)ccc2OC)CC[C@@H]1C ZINC001071658619 1354831309 /nfs/dbraw/zinc/83/13/09/1354831309.db2.gz FRWFMMCKVWOHRI-LSDHHAIUSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc(C)ccc2OC)CC[C@@H]1C ZINC001071658619 1354831315 /nfs/dbraw/zinc/83/13/15/1354831315.db2.gz FRWFMMCKVWOHRI-LSDHHAIUSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccnc2C(F)F)CC[C@H]1C ZINC001071674126 1354842754 /nfs/dbraw/zinc/84/27/54/1354842754.db2.gz OTTBTXABZXJTIJ-VXGBXAGGSA-N 1 2 343.805 3.354 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cccnc2C(F)F)CC[C@H]1C ZINC001071674126 1354842758 /nfs/dbraw/zinc/84/27/58/1354842758.db2.gz OTTBTXABZXJTIJ-VXGBXAGGSA-N 1 2 343.805 3.354 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)CCOC3)CC[C@H]1C ZINC001071678880 1354846166 /nfs/dbraw/zinc/84/61/66/1354846166.db2.gz HHIAVKQNDYIYKO-KDOFPFPSSA-N 1 2 348.874 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)CCOC3)CC[C@H]1C ZINC001071678880 1354846168 /nfs/dbraw/zinc/84/61/68/1354846168.db2.gz HHIAVKQNDYIYKO-KDOFPFPSSA-N 1 2 348.874 3.095 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3cncc(F)c3)C2)CC1 ZINC001071796723 1354941258 /nfs/dbraw/zinc/94/12/58/1354941258.db2.gz WMMPQAGDSWPALG-BEFAXECRSA-N 1 2 345.462 3.436 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3cncc(F)c3)C2)CC1 ZINC001071796723 1354941264 /nfs/dbraw/zinc/94/12/64/1354941264.db2.gz WMMPQAGDSWPALG-BEFAXECRSA-N 1 2 345.462 3.436 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc(OC)c(C)c2)CC[C@@H]1C ZINC001071892384 1355010413 /nfs/dbraw/zinc/01/04/13/1355010413.db2.gz FNMZGQRWZNWSMY-GOEBONIOSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc(OC)c(C)c2)CC[C@@H]1C ZINC001071892384 1355010418 /nfs/dbraw/zinc/01/04/18/1355010418.db2.gz FNMZGQRWZNWSMY-GOEBONIOSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc(C)cc2OC)CC[C@@H]1C ZINC001072003534 1355067999 /nfs/dbraw/zinc/06/79/99/1355067999.db2.gz VBDDHMIIPNVFJM-LSDHHAIUSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc(C)cc2OC)CC[C@@H]1C ZINC001072003534 1355068002 /nfs/dbraw/zinc/06/80/02/1355068002.db2.gz VBDDHMIIPNVFJM-LSDHHAIUSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ncccc2Cl)CC[C@H]1C ZINC001072008327 1355072264 /nfs/dbraw/zinc/07/22/64/1355072264.db2.gz DPZLKHSQEBTBAZ-NEPJUHHUSA-N 1 2 328.243 3.070 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ncccc2Cl)CC[C@H]1C ZINC001072008327 1355072265 /nfs/dbraw/zinc/07/22/65/1355072265.db2.gz DPZLKHSQEBTBAZ-NEPJUHHUSA-N 1 2 328.243 3.070 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc(C3CC3)cn2)CC[C@H]1C ZINC001072037073 1355094162 /nfs/dbraw/zinc/09/41/62/1355094162.db2.gz JFOGQPPMOGCSCK-CZUORRHYSA-N 1 2 333.863 3.294 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc(C3CC3)cn2)CC[C@H]1C ZINC001072037073 1355094165 /nfs/dbraw/zinc/09/41/65/1355094165.db2.gz JFOGQPPMOGCSCK-CZUORRHYSA-N 1 2 333.863 3.294 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc(-c3ccoc3)n[nH]2)CC[C@@H]1C ZINC001072071883 1355113268 /nfs/dbraw/zinc/11/32/68/1355113268.db2.gz BKIWJPBUJXUSCL-GXTWGEPZSA-N 1 2 348.834 3.005 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc(-c3ccoc3)n[nH]2)CC[C@@H]1C ZINC001072071883 1355113269 /nfs/dbraw/zinc/11/32/69/1355113269.db2.gz BKIWJPBUJXUSCL-GXTWGEPZSA-N 1 2 348.834 3.005 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc(C)n(C(C)C)n2)CC[C@H]1C ZINC001072127338 1355143652 /nfs/dbraw/zinc/14/36/52/1355143652.db2.gz RIFRJIKLTJXTSN-HIFRSBDPSA-N 1 2 338.883 3.108 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc(C)n(C(C)C)n2)CC[C@H]1C ZINC001072127338 1355143655 /nfs/dbraw/zinc/14/36/55/1355143655.db2.gz RIFRJIKLTJXTSN-HIFRSBDPSA-N 1 2 338.883 3.108 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC2(CN(C(=O)c3ccccc3)C2)C1 ZINC001072408609 1355276487 /nfs/dbraw/zinc/27/64/87/1355276487.db2.gz URTADBLLAAPHJE-UHFFFAOYSA-N 1 2 349.409 3.045 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC2(CN(C(=O)c3ccccc3)C2)C1 ZINC001072408609 1355276490 /nfs/dbraw/zinc/27/64/90/1355276490.db2.gz URTADBLLAAPHJE-UHFFFAOYSA-N 1 2 349.409 3.045 20 30 EGEDLO C=C1CCC(C(=O)N2CCCC[C@@H]2C[N@@H+](C)Cc2ccon2)CC1 ZINC001074060075 1356059446 /nfs/dbraw/zinc/05/94/46/1356059446.db2.gz HNLMMBPINGRSFC-GOSISDBHSA-N 1 2 331.460 3.234 20 30 EGEDLO C=C1CCC(C(=O)N2CCCC[C@@H]2C[N@H+](C)Cc2ccon2)CC1 ZINC001074060075 1356059449 /nfs/dbraw/zinc/05/94/49/1356059449.db2.gz HNLMMBPINGRSFC-GOSISDBHSA-N 1 2 331.460 3.234 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(F)CCCC2)C3)s1 ZINC001097384117 1362964296 /nfs/dbraw/zinc/96/42/96/1362964296.db2.gz OZMYXYHGAXHDDA-WQVCFCJDSA-N 1 2 347.459 3.124 20 30 EGEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(F)CCCC2)C3)s1 ZINC001097384117 1362964297 /nfs/dbraw/zinc/96/42/97/1362964297.db2.gz OZMYXYHGAXHDDA-WQVCFCJDSA-N 1 2 347.459 3.124 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(C)c3)[C@@H]2C1 ZINC001075513806 1356415341 /nfs/dbraw/zinc/41/53/41/1356415341.db2.gz PELICGCCPDMSJE-JKSUJKDBSA-N 1 2 349.272 3.050 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(C)c3)[C@@H]2C1 ZINC001075513806 1356415344 /nfs/dbraw/zinc/41/53/44/1356415344.db2.gz PELICGCCPDMSJE-JKSUJKDBSA-N 1 2 349.272 3.050 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3oc(C(F)F)cc3C)[C@@H]2C1 ZINC001075907335 1356443729 /nfs/dbraw/zinc/44/37/29/1356443729.db2.gz WEIXEWXJYCKVCY-NWDGAFQWSA-N 1 2 344.789 3.424 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3oc(C(F)F)cc3C)[C@@H]2C1 ZINC001075907335 1356443734 /nfs/dbraw/zinc/44/37/34/1356443734.db2.gz WEIXEWXJYCKVCY-NWDGAFQWSA-N 1 2 344.789 3.424 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C)c(F)c3F)[C@@H]2C1 ZINC001076271111 1356531846 /nfs/dbraw/zinc/53/18/46/1356531846.db2.gz SAQXWYBNXJVHKB-GXTWGEPZSA-N 1 2 340.801 3.172 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C)c(F)c3F)[C@@H]2C1 ZINC001076271111 1356531848 /nfs/dbraw/zinc/53/18/48/1356531848.db2.gz SAQXWYBNXJVHKB-GXTWGEPZSA-N 1 2 340.801 3.172 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3csc(Cl)c3)[C@@H]2C1 ZINC001076325068 1356549180 /nfs/dbraw/zinc/54/91/80/1356549180.db2.gz OORNNDZOJGTDMP-CMPLNLGQSA-N 1 2 331.268 3.300 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3csc(Cl)c3)[C@@H]2C1 ZINC001076325068 1356549189 /nfs/dbraw/zinc/54/91/89/1356549189.db2.gz OORNNDZOJGTDMP-CMPLNLGQSA-N 1 2 331.268 3.300 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(Cl)cn3CC)[C@@H]2C1 ZINC001076581048 1356623313 /nfs/dbraw/zinc/62/33/13/1356623313.db2.gz RZMQQBBQOBDCMO-SWLSCSKDSA-N 1 2 342.270 3.060 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(Cl)cn3CC)[C@@H]2C1 ZINC001076581048 1356623317 /nfs/dbraw/zinc/62/33/17/1356623317.db2.gz RZMQQBBQOBDCMO-SWLSCSKDSA-N 1 2 342.270 3.060 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc3ccc(F)cc3c2)C1 ZINC001080725655 1357729005 /nfs/dbraw/zinc/72/90/05/1357729005.db2.gz WVYBONNRIMERQC-PIGZYNQJSA-N 1 2 347.821 3.177 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc3ccc(F)cc3c2)C1 ZINC001080725655 1357729007 /nfs/dbraw/zinc/72/90/07/1357729007.db2.gz WVYBONNRIMERQC-PIGZYNQJSA-N 1 2 347.821 3.177 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)c2ccc(F)c3ccccc32)CC1 ZINC001183500045 1387313815 /nfs/dbraw/zinc/31/38/15/1387313815.db2.gz GDDMLLRDISASQR-OAHLLOKOSA-N 1 2 326.415 3.413 20 30 EGEDLO CCC(C)(C)CC(=O)NC[C@@H]1CC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC001323240204 1387315773 /nfs/dbraw/zinc/31/57/73/1387315773.db2.gz AXVNDYPQUPNVLQ-KRWDZBQOSA-N 1 2 343.471 3.084 20 30 EGEDLO CCC(C)(C)CC(=O)NC[C@@H]1CC[N@H+]1Cc1cc(C#N)ccc1OC ZINC001323240204 1387315775 /nfs/dbraw/zinc/31/57/75/1387315775.db2.gz AXVNDYPQUPNVLQ-KRWDZBQOSA-N 1 2 343.471 3.084 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC3(c4ccccc4)CC3)[C@@H]2C1 ZINC001084395886 1358206979 /nfs/dbraw/zinc/20/69/79/1358206979.db2.gz JUPCHQSJKBEBMA-SJLPKXTDSA-N 1 2 344.886 3.394 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC3(c4ccccc4)CC3)[C@@H]2C1 ZINC001084395886 1358206982 /nfs/dbraw/zinc/20/69/82/1358206982.db2.gz JUPCHQSJKBEBMA-SJLPKXTDSA-N 1 2 344.886 3.394 20 30 EGEDLO C=CCOc1ccc(C(=O)N2C[C@H]3CC[N@@H+](CC(=C)Cl)C[C@H]32)cc1 ZINC001084461171 1358220233 /nfs/dbraw/zinc/22/02/33/1358220233.db2.gz WIDFFOGQNPLDSB-SJLPKXTDSA-N 1 2 346.858 3.150 20 30 EGEDLO C=CCOc1ccc(C(=O)N2C[C@H]3CC[N@H+](CC(=C)Cl)C[C@H]32)cc1 ZINC001084461171 1358220238 /nfs/dbraw/zinc/22/02/38/1358220238.db2.gz WIDFFOGQNPLDSB-SJLPKXTDSA-N 1 2 346.858 3.150 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)C3CC3)[C@@H]2C1 ZINC001084518029 1358229793 /nfs/dbraw/zinc/22/97/93/1358229793.db2.gz IDFBBOUAKTZVMA-GUDVDZBRSA-N 1 2 344.886 3.465 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)C3CC3)[C@@H]2C1 ZINC001084518029 1358229795 /nfs/dbraw/zinc/22/97/95/1358229795.db2.gz IDFBBOUAKTZVMA-GUDVDZBRSA-N 1 2 344.886 3.465 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCCC3(F)F)[C@@H]2C1 ZINC001084609025 1358254742 /nfs/dbraw/zinc/25/47/42/1358254742.db2.gz SALDGGZNJIYZGA-HZSPNIEDSA-N 1 2 332.822 3.097 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCCC3(F)F)[C@@H]2C1 ZINC001084609025 1358254747 /nfs/dbraw/zinc/25/47/47/1358254747.db2.gz SALDGGZNJIYZGA-HZSPNIEDSA-N 1 2 332.822 3.097 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C3CCC3)C3CCC3)[C@@H]2C1 ZINC001084612695 1358255574 /nfs/dbraw/zinc/25/55/74/1358255574.db2.gz HSJRTOVHDSKNRH-IAGOWNOFSA-N 1 2 336.907 3.488 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C(C3CCC3)C3CCC3)[C@@H]2C1 ZINC001084612695 1358255576 /nfs/dbraw/zinc/25/55/76/1358255576.db2.gz HSJRTOVHDSKNRH-IAGOWNOFSA-N 1 2 336.907 3.488 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@@H+](Cc4nc(C)c(C)s4)C[C@H]32)C1 ZINC001084645048 1358267129 /nfs/dbraw/zinc/26/71/29/1358267129.db2.gz BHBLYDZCNOGQOC-HZPDHXFCSA-N 1 2 345.512 3.149 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@H+](Cc4nc(C)c(C)s4)C[C@H]32)C1 ZINC001084645048 1358267130 /nfs/dbraw/zinc/26/71/30/1358267130.db2.gz BHBLYDZCNOGQOC-HZPDHXFCSA-N 1 2 345.512 3.149 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1)C(=O)[C@@H]1CC1(C)C ZINC001085551536 1358586898 /nfs/dbraw/zinc/58/68/98/1358586898.db2.gz BXXIIPMHRNHRCL-ROUUACIJSA-N 1 2 344.886 3.270 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1)C(=O)[C@@H]1CC1(C)C ZINC001085551536 1358586907 /nfs/dbraw/zinc/58/69/07/1358586907.db2.gz BXXIIPMHRNHRCL-ROUUACIJSA-N 1 2 344.886 3.270 20 30 EGEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2cccc(C)c2s1 ZINC001085679314 1358682371 /nfs/dbraw/zinc/68/23/71/1358682371.db2.gz GHIWNQBWPPNQRM-MRXNPFEDSA-N 1 2 326.465 3.379 20 30 EGEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2cccc(C)c2s1 ZINC001085679314 1358682377 /nfs/dbraw/zinc/68/23/77/1358682377.db2.gz GHIWNQBWPPNQRM-MRXNPFEDSA-N 1 2 326.465 3.379 20 30 EGEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1cccc(N2CCOC2=O)c1 ZINC001323546500 1387385068 /nfs/dbraw/zinc/38/50/68/1387385068.db2.gz VFVUZDAQWVJVDU-CMDGGOBGSA-N 1 2 337.379 3.000 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cnsn2)CC1 ZINC001087208414 1359321562 /nfs/dbraw/zinc/32/15/62/1359321562.db2.gz BYDPIZKCUGBJBO-PBHICJAKSA-N 1 2 348.516 3.001 20 30 EGEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001087456048 1359475615 /nfs/dbraw/zinc/47/56/15/1359475615.db2.gz ATMFPBIHSBEQNP-QZTJIDSGSA-N 1 2 346.421 3.015 20 30 EGEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001087456048 1359475620 /nfs/dbraw/zinc/47/56/20/1359475620.db2.gz ATMFPBIHSBEQNP-QZTJIDSGSA-N 1 2 346.421 3.015 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)CC2CC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001087485303 1359488361 /nfs/dbraw/zinc/48/83/61/1359488361.db2.gz YBBMRBVEEIIKCZ-RBUKOAKNSA-N 1 2 344.886 3.461 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)CC2CC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001087485303 1359488363 /nfs/dbraw/zinc/48/83/63/1359488363.db2.gz YBBMRBVEEIIKCZ-RBUKOAKNSA-N 1 2 344.886 3.461 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)[C@H]1CC ZINC001087717298 1359609060 /nfs/dbraw/zinc/60/90/60/1359609060.db2.gz ZPDGWRYFLCFSPI-APIJFGDWSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)[C@H]1CC ZINC001087717298 1359609063 /nfs/dbraw/zinc/60/90/63/1359609063.db2.gz ZPDGWRYFLCFSPI-APIJFGDWSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2oc(C(C)C)nc2C)[C@H]1CC ZINC001087754875 1359629109 /nfs/dbraw/zinc/62/91/09/1359629109.db2.gz GTTWJCMBTSROCU-UONOGXRCSA-N 1 2 339.867 3.442 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2oc(C(C)C)nc2C)[C@H]1CC ZINC001087754875 1359629112 /nfs/dbraw/zinc/62/91/12/1359629112.db2.gz GTTWJCMBTSROCU-UONOGXRCSA-N 1 2 339.867 3.442 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(C)[nH]nc2C(C)C)[C@H]1CC ZINC001087789154 1359644938 /nfs/dbraw/zinc/64/49/38/1359644938.db2.gz AZDORIMINYPHGF-UONOGXRCSA-N 1 2 338.883 3.177 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(C)[nH]nc2C(C)C)[C@H]1CC ZINC001087789154 1359644940 /nfs/dbraw/zinc/64/49/40/1359644940.db2.gz AZDORIMINYPHGF-UONOGXRCSA-N 1 2 338.883 3.177 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(C)n[nH]c2C(C)C)[C@H]1CC ZINC001087789154 1359644942 /nfs/dbraw/zinc/64/49/42/1359644942.db2.gz AZDORIMINYPHGF-UONOGXRCSA-N 1 2 338.883 3.177 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(C)n[nH]c2C(C)C)[C@H]1CC ZINC001087789154 1359644944 /nfs/dbraw/zinc/64/49/44/1359644944.db2.gz AZDORIMINYPHGF-UONOGXRCSA-N 1 2 338.883 3.177 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C2(F)CCCC2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001088681681 1360010895 /nfs/dbraw/zinc/01/08/95/1360010895.db2.gz MZJOMVLUVOQSOV-QAPCUYQASA-N 1 2 346.421 3.039 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C2(F)CCCC2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001088681681 1360010898 /nfs/dbraw/zinc/01/08/98/1360010898.db2.gz MZJOMVLUVOQSOV-QAPCUYQASA-N 1 2 346.421 3.039 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(OC(C)C)cc2)[C@H]1C ZINC001089020075 1360138865 /nfs/dbraw/zinc/13/88/65/1360138865.db2.gz RBLIEDIKAMGSFI-PBHICJAKSA-N 1 2 336.863 3.419 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(OC(C)C)cc2)[C@H]1C ZINC001089020075 1360138866 /nfs/dbraw/zinc/13/88/66/1360138866.db2.gz RBLIEDIKAMGSFI-PBHICJAKSA-N 1 2 336.863 3.419 20 30 EGEDLO C/C=C(\C)C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC001089153773 1360208393 /nfs/dbraw/zinc/20/83/93/1360208393.db2.gz ZFQIYUSPSXIQIB-MJSAPAGGSA-N 1 2 343.446 3.476 20 30 EGEDLO C/C=C(\C)C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001089153773 1360208396 /nfs/dbraw/zinc/20/83/96/1360208396.db2.gz ZFQIYUSPSXIQIB-MJSAPAGGSA-N 1 2 343.446 3.476 20 30 EGEDLO C=C(Br)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001089683877 1360589939 /nfs/dbraw/zinc/58/99/39/1360589939.db2.gz ILORJURPLDRUDU-UBHSHLNASA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001089683877 1360589942 /nfs/dbraw/zinc/58/99/42/1360589942.db2.gz ILORJURPLDRUDU-UBHSHLNASA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(Cl)no1 ZINC001089723090 1360626347 /nfs/dbraw/zinc/62/63/47/1360626347.db2.gz GGDLBVXHCHMCLF-LLVKDONJSA-N 1 2 346.258 3.301 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(Cl)no1 ZINC001089723090 1360626352 /nfs/dbraw/zinc/62/63/52/1360626352.db2.gz GGDLBVXHCHMCLF-LLVKDONJSA-N 1 2 346.258 3.301 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(CC)on1 ZINC001089724982 1360628426 /nfs/dbraw/zinc/62/84/26/1360628426.db2.gz DGJTZONYSAFWBD-CYBMUJFWSA-N 1 2 339.867 3.210 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(CC)on1 ZINC001089724982 1360628430 /nfs/dbraw/zinc/62/84/30/1360628430.db2.gz DGJTZONYSAFWBD-CYBMUJFWSA-N 1 2 339.867 3.210 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C12CCC2 ZINC001090619266 1360914956 /nfs/dbraw/zinc/91/49/56/1360914956.db2.gz WYKKTNLOXQHUHU-GJZGRUSLSA-N 1 2 328.460 3.227 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001090804851 1360938460 /nfs/dbraw/zinc/93/84/60/1360938460.db2.gz GQAHPHHZYDHIGI-CKEIUWERSA-N 1 2 342.487 3.206 20 30 EGEDLO CC#CCCCC(=O)N1CCC[C@H](C)[C@H]1CCNc1cc[nH+]c(C)n1 ZINC001091660116 1361174553 /nfs/dbraw/zinc/17/45/53/1361174553.db2.gz NYZRQUQJEAXBKN-FUHWJXTLSA-N 1 2 342.487 3.408 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1CC ZINC001091821052 1361228354 /nfs/dbraw/zinc/22/83/54/1361228354.db2.gz IZPDPFBCEITTJU-DLBZAZTESA-N 1 2 342.487 3.492 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)[C@@H]1C ZINC001092034203 1361277499 /nfs/dbraw/zinc/27/74/99/1361277499.db2.gz VVSRYSVLUHYVEF-CABCVRRESA-N 1 2 330.476 3.204 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001092038314 1361278594 /nfs/dbraw/zinc/27/85/94/1361278594.db2.gz IINRVQBEGLFECH-LXZKKBNFSA-N 1 2 342.487 3.348 20 30 EGEDLO C=CCC1(C(=O)NCC2CC(Nc3cc[nH+]c(C)n3)C2)CCCC1 ZINC001092227997 1361332369 /nfs/dbraw/zinc/33/23/69/1361332369.db2.gz KPFUPVQLBVIRKR-UHFFFAOYSA-N 1 2 328.460 3.228 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@@]2(C)C1 ZINC001092299790 1361358579 /nfs/dbraw/zinc/35/85/79/1361358579.db2.gz FGZQUQYOHRZLKC-FXAWDEMLSA-N 1 2 342.487 3.043 20 30 EGEDLO C=CCC1(C(=O)N2C[C@@H](CNc3cc[nH+]c(C)n3)[C@H](C)C2)CCCC1 ZINC001092653690 1361432987 /nfs/dbraw/zinc/43/29/87/1361432987.db2.gz MJDSNAHEYNLTIJ-NVXWUHKLSA-N 1 2 342.487 3.428 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001092911851 1361485558 /nfs/dbraw/zinc/48/55/58/1361485558.db2.gz MPRGDLRJVUETQN-OLPIVMHESA-N 1 2 342.487 3.176 20 30 EGEDLO CC#CCCCC(=O)N1C[C@@H]2CCC[C@]2(CNc2cc[nH+]c(C)n2)C1 ZINC001093128215 1361535518 /nfs/dbraw/zinc/53/55/18/1361535518.db2.gz BZUSMHKMMSHUTG-PXNSSMCTSA-N 1 2 340.471 3.019 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3csc(C)c3C)CC2)C1 ZINC001093539572 1361637094 /nfs/dbraw/zinc/63/70/94/1361637094.db2.gz UVPAJZUBRBYHHM-UHFFFAOYSA-N 1 2 348.512 3.246 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3ccoc3C3CC3)CC2)C1 ZINC001093564922 1361643904 /nfs/dbraw/zinc/64/39/04/1361643904.db2.gz DWOJSPPVEKWXTF-UHFFFAOYSA-N 1 2 344.455 3.039 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC(OC2C[NH+](CC=C(C)C)C2)CC1 ZINC001093567277 1361644730 /nfs/dbraw/zinc/64/47/30/1361644730.db2.gz HYEUEXPOJOISNG-FQEVSTJZSA-N 1 2 334.504 3.247 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3ccc(C)cc3Cl)CC2)C1 ZINC001093573979 1361647556 /nfs/dbraw/zinc/64/75/56/1361647556.db2.gz FWDYONKFPQSWDJ-UHFFFAOYSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3ccc(C)c(C)c3)CC2)C1 ZINC001093595713 1361652232 /nfs/dbraw/zinc/65/22/32/1361652232.db2.gz RFPPKBQZMZLJAT-UHFFFAOYSA-N 1 2 342.483 3.185 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095062711 1362001470 /nfs/dbraw/zinc/00/14/70/1362001470.db2.gz CDTCFLRBYVRNNN-QGZVFWFLSA-N 1 2 340.471 3.444 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H](N(C)c2nc(C)[nH+]c3c2CCCC3)C1 ZINC001095137027 1362028833 /nfs/dbraw/zinc/02/88/33/1362028833.db2.gz PWMZMIIXWLLEKK-MRXNPFEDSA-N 1 2 342.487 3.057 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095201782 1362051112 /nfs/dbraw/zinc/05/11/12/1362051112.db2.gz VGEJOYKMFDEXLJ-OAHLLOKOSA-N 1 2 342.487 3.303 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001095202702 1362051825 /nfs/dbraw/zinc/05/18/25/1362051825.db2.gz SGZFPAMNSZYYBL-RDJZCZTQSA-N 1 2 344.503 3.405 20 30 EGEDLO C=CCCC(=O)N1CCC(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001095218011 1362056009 /nfs/dbraw/zinc/05/60/09/1362056009.db2.gz HZEFZHNLRNZICK-UHFFFAOYSA-N 1 2 328.460 3.033 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@@H](Nc3cc[nH+]c(C)n3)C2)CCCC1 ZINC001095302856 1362090586 /nfs/dbraw/zinc/09/05/86/1362090586.db2.gz OUOWZCQOWAYCMW-MRXNPFEDSA-N 1 2 328.460 3.324 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001095311015 1362094883 /nfs/dbraw/zinc/09/48/83/1362094883.db2.gz KQEFEBRASIMGMF-INIZCTEOSA-N 1 2 342.487 3.423 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095440679 1362141739 /nfs/dbraw/zinc/14/17/39/1362141739.db2.gz SVDOPUVMFGFDDH-HNNXBMFYSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095446178 1362143528 /nfs/dbraw/zinc/14/35/28/1362143528.db2.gz FOJLOROIRCKZRW-FQEVSTJZSA-N 1 2 342.487 3.350 20 30 EGEDLO CC#CCCCC(=O)N1CCCC[C@H]1[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001095802441 1362235069 /nfs/dbraw/zinc/23/50/69/1362235069.db2.gz QXBWTMYKVGCLPG-WBVHZDCISA-N 1 2 328.460 3.160 20 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C#CCCCC(=O)NC[C@H](Nc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001096637193 1362610269 /nfs/dbraw/zinc/61/02/69/1362610269.db2.gz NIMLSNLCXAYXJX-INIZCTEOSA-N 1 2 328.460 3.019 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c3ccc(F)cc13)C2 ZINC001096672188 1362625995 /nfs/dbraw/zinc/62/59/95/1362625995.db2.gz NZAZDHQBJZTWKI-DQYPLSBCSA-N 1 2 347.821 3.395 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c3ccc(F)cc13)C2 ZINC001096672188 1362625999 /nfs/dbraw/zinc/62/59/99/1362625999.db2.gz NZAZDHQBJZTWKI-DQYPLSBCSA-N 1 2 347.821 3.395 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H](Nc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001096784129 1362706952 /nfs/dbraw/zinc/70/69/52/1362706952.db2.gz VNULHQOVENFGSQ-HNNXBMFYSA-N 1 2 328.460 3.181 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097088600 1362838026 /nfs/dbraw/zinc/83/80/26/1362838026.db2.gz NFHTUCNNDJCKMX-FVQBIDKESA-N 1 2 328.460 3.324 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097089134 1362838202 /nfs/dbraw/zinc/83/82/02/1362838202.db2.gz PYOVRCFQFXANET-RCBQFDQVSA-N 1 2 328.460 3.324 20 30 EGEDLO COC(=O)c1cc(C#N)cc(C)c1Nc1ccc[nH+]c1N1CCCC1 ZINC001185042764 1387594969 /nfs/dbraw/zinc/59/49/69/1387594969.db2.gz ISPKBGFMTMBRFY-UHFFFAOYSA-N 1 2 336.395 3.392 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)c(OC)c(C)c1)C2 ZINC001097115377 1362847392 /nfs/dbraw/zinc/84/73/92/1362847392.db2.gz DLEMZQODBHQYDX-ZACQAIPSSA-N 1 2 348.874 3.400 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)c(OC)c(C)c1)C2 ZINC001097115377 1362847393 /nfs/dbraw/zinc/84/73/93/1362847393.db2.gz DLEMZQODBHQYDX-ZACQAIPSSA-N 1 2 348.874 3.400 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nccc3ccsc31)C2 ZINC001097260315 1362905030 /nfs/dbraw/zinc/90/50/30/1362905030.db2.gz SSYFBIHLIZZTAM-MCIONIFRSA-N 1 2 347.871 3.384 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nccc3ccsc31)C2 ZINC001097260315 1362905031 /nfs/dbraw/zinc/90/50/31/1362905031.db2.gz SSYFBIHLIZZTAM-MCIONIFRSA-N 1 2 347.871 3.384 20 30 EGEDLO COC(=O)c1cccc(CNc2[nH+]cccc2OCCCC#N)c1 ZINC001324346241 1387602621 /nfs/dbraw/zinc/60/26/21/1387602621.db2.gz YUVBZZDJYWSPGI-UHFFFAOYSA-N 1 2 325.368 3.163 20 30 EGEDLO Cc1cc(NC[C@@H]2CCCCN2C(=O)C#CC(C)C)nc(C(C)C)[nH+]1 ZINC001097483303 1363014810 /nfs/dbraw/zinc/01/48/10/1363014810.db2.gz OPTYAOSWDVPHKF-KRWDZBQOSA-N 1 2 342.487 3.361 20 30 EGEDLO C#CCCCCCC(=O)N[C@H](C)[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001097545434 1363052938 /nfs/dbraw/zinc/05/29/38/1363052938.db2.gz LVDLVROTETYRHL-SJLPKXTDSA-N 1 2 342.487 3.090 20 30 EGEDLO C=CCC(CC=C)C(=O)N1C[C@@H]2CC[C@@H](Nc3cc[nH+]c(C)n3)[C@@H]2C1 ZINC001097602653 1363068050 /nfs/dbraw/zinc/06/80/50/1363068050.db2.gz WRHVOZIAXSIWIL-RCCFBDPRSA-N 1 2 340.471 3.202 20 30 EGEDLO C#CCC1(C(=O)NC[C@H](C)Nc2cc(C)[nH+]c(C(C)C)n2)CCC1 ZINC001098092150 1363220623 /nfs/dbraw/zinc/22/06/23/1363220623.db2.gz NWPWDVPHCACOFW-HNNXBMFYSA-N 1 2 328.460 3.019 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC13CCCC3)C2 ZINC001098155429 1363238012 /nfs/dbraw/zinc/23/80/12/1363238012.db2.gz LWYQIAFYHVHSDE-WTGUMLROSA-N 1 2 349.478 3.360 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC13CCCC3)C2 ZINC001098155429 1363238015 /nfs/dbraw/zinc/23/80/15/1363238015.db2.gz LWYQIAFYHVHSDE-WTGUMLROSA-N 1 2 349.478 3.360 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001098195658 1363252147 /nfs/dbraw/zinc/25/21/47/1363252147.db2.gz KHNLLMLPEHWUPT-UONOGXRCSA-N 1 2 330.476 3.183 20 30 EGEDLO Cc1cc(N[C@@H]2CCC[C@@H](NC(=O)C#CC(C)C)C2)nc(C2CC2)[nH+]1 ZINC001098620091 1363401898 /nfs/dbraw/zinc/40/18/98/1363401898.db2.gz ALJCCGGWTTZENG-IAGOWNOFSA-N 1 2 340.471 3.161 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2scnc2CC)C1 ZINC001098866097 1363497716 /nfs/dbraw/zinc/49/77/16/1363497716.db2.gz YYLHSQOWEIJBBQ-LRDDRELGSA-N 1 2 339.892 3.042 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2scnc2CC)C1 ZINC001098866097 1363497718 /nfs/dbraw/zinc/49/77/18/1363497718.db2.gz YYLHSQOWEIJBBQ-LRDDRELGSA-N 1 2 339.892 3.042 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc3cnccc3o2)C1 ZINC001098923652 1363522982 /nfs/dbraw/zinc/52/29/82/1363522982.db2.gz YCOZIKQQTONNRJ-KSSFIOAISA-N 1 2 345.830 3.165 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc3cnccc3o2)C1 ZINC001098923652 1363522984 /nfs/dbraw/zinc/52/29/84/1363522984.db2.gz YCOZIKQQTONNRJ-KSSFIOAISA-N 1 2 345.830 3.165 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2nc(Cl)cs2)C1 ZINC001098997126 1363562378 /nfs/dbraw/zinc/56/23/78/1363562378.db2.gz SLLVOYBOINLGSL-HZMBPMFUSA-N 1 2 346.283 3.133 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2nc(Cl)cs2)C1 ZINC001098997126 1363562380 /nfs/dbraw/zinc/56/23/80/1363562380.db2.gz SLLVOYBOINLGSL-HZMBPMFUSA-N 1 2 346.283 3.133 20 30 EGEDLO C#CCCCCC(=O)NCC[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001099027409 1363582203 /nfs/dbraw/zinc/58/22/03/1363582203.db2.gz QWPBTVZCQQHWAZ-AWEZNQCLSA-N 1 2 328.460 3.163 20 30 EGEDLO C#CCCCCC(=O)NCC[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001099027988 1363582912 /nfs/dbraw/zinc/58/29/12/1363582912.db2.gz XKHYDCCKRRVZNP-HNNXBMFYSA-N 1 2 330.476 3.409 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccn(C)n1 ZINC001099093580 1363618696 /nfs/dbraw/zinc/61/86/96/1363618696.db2.gz SFNYNZZXMBGVCG-QGZVFWFLSA-N 1 2 346.519 3.129 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccn(C)n1 ZINC001099093580 1363618697 /nfs/dbraw/zinc/61/86/97/1363618697.db2.gz SFNYNZZXMBGVCG-QGZVFWFLSA-N 1 2 346.519 3.129 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CCC)OC ZINC001099170590 1363668622 /nfs/dbraw/zinc/66/86/22/1363668622.db2.gz IXXRVFIYCYSOGL-LSDHHAIUSA-N 1 2 330.900 3.161 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CCC)OC ZINC001099170590 1363668618 /nfs/dbraw/zinc/66/86/18/1363668618.db2.gz IXXRVFIYCYSOGL-LSDHHAIUSA-N 1 2 330.900 3.161 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nccn1C ZINC001099171199 1363669439 /nfs/dbraw/zinc/66/94/39/1363669439.db2.gz OJPDNSBTIMAGQY-INIZCTEOSA-N 1 2 346.519 3.129 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nccn1C ZINC001099171199 1363669440 /nfs/dbraw/zinc/66/94/40/1363669440.db2.gz OJPDNSBTIMAGQY-INIZCTEOSA-N 1 2 346.519 3.129 20 30 EGEDLO CC#CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ncc(C)o1 ZINC001099184002 1363679008 /nfs/dbraw/zinc/67/90/08/1363679008.db2.gz ZXMCZGVYCOGBRW-QGZVFWFLSA-N 1 2 345.487 3.283 20 30 EGEDLO CC#CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ncc(C)o1 ZINC001099184002 1363679011 /nfs/dbraw/zinc/67/90/11/1363679011.db2.gz ZXMCZGVYCOGBRW-QGZVFWFLSA-N 1 2 345.487 3.283 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ccn(C)n1 ZINC001099194721 1363685387 /nfs/dbraw/zinc/68/53/87/1363685387.db2.gz RIZBAGIVOQKZTK-AEFFLSMTSA-N 1 2 346.519 3.129 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ccn(C)n1 ZINC001099194721 1363685390 /nfs/dbraw/zinc/68/53/90/1363685390.db2.gz RIZBAGIVOQKZTK-AEFFLSMTSA-N 1 2 346.519 3.129 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nonc1C ZINC001099214880 1363695729 /nfs/dbraw/zinc/69/57/29/1363695729.db2.gz MZGDQJGXJADOIN-DNVCBOLYSA-N 1 2 348.491 3.087 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nonc1C ZINC001099214880 1363695733 /nfs/dbraw/zinc/69/57/33/1363695733.db2.gz MZGDQJGXJADOIN-DNVCBOLYSA-N 1 2 348.491 3.087 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ccn(C)n1 ZINC001099220803 1363698216 /nfs/dbraw/zinc/69/82/16/1363698216.db2.gz SKNKUQHVCHMBTL-PXNSSMCTSA-N 1 2 346.519 3.129 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ccn(C)n1 ZINC001099220803 1363698220 /nfs/dbraw/zinc/69/82/20/1363698220.db2.gz SKNKUQHVCHMBTL-PXNSSMCTSA-N 1 2 346.519 3.129 20 30 EGEDLO C#CCCCC(=O)NCCC[C@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001099846247 1363960845 /nfs/dbraw/zinc/96/08/45/1363960845.db2.gz OLOJJBIGCCPPCB-SFHVURJKSA-N 1 2 342.487 3.071 20 30 EGEDLO C#CCCCC(=O)NCCC[C@@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001099846246 1363961109 /nfs/dbraw/zinc/96/11/09/1363961109.db2.gz OLOJJBIGCCPPCB-GOSISDBHSA-N 1 2 342.487 3.071 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@H]1CCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001100873637 1364305283 /nfs/dbraw/zinc/30/52/83/1364305283.db2.gz KMQZAWDVUGOGCZ-MRXNPFEDSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H]2CCCN2c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001100904304 1364323974 /nfs/dbraw/zinc/32/39/74/1364323974.db2.gz OLFOAIBCJFLFCW-MRXNPFEDSA-N 1 2 340.471 3.104 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001101041763 1364386833 /nfs/dbraw/zinc/38/68/33/1364386833.db2.gz MDUVWVVRZKLRFM-ZBFHGGJFSA-N 1 2 342.487 3.207 20 30 EGEDLO C#CCCCCC(=O)NCCN(CCC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001101136362 1364426470 /nfs/dbraw/zinc/42/64/70/1364426470.db2.gz CJPOXWUSPDLGSC-UHFFFAOYSA-N 1 2 342.487 3.189 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCN(CCC)c1nc(C)[nH+]c(C)c1C ZINC001101224058 1364472981 /nfs/dbraw/zinc/47/29/81/1364472981.db2.gz UFOGKRTVKSBLKQ-ZIAGYGMSSA-N 1 2 332.492 3.193 20 30 EGEDLO CC#CCCCC(=O)N1C[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@@]2(C)C1 ZINC001101333032 1364513135 /nfs/dbraw/zinc/51/31/35/1364513135.db2.gz FQGAXSQUWHIZKA-LIGOOFOOSA-N 1 2 343.298 3.279 20 30 EGEDLO CC#CCCCC(=O)N1C[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@@]2(C)C1 ZINC001101333032 1364513138 /nfs/dbraw/zinc/51/31/38/1364513138.db2.gz FQGAXSQUWHIZKA-LIGOOFOOSA-N 1 2 343.298 3.279 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCN(c1nc(C)[nH+]c(C)c1C)C1CC1 ZINC001101425914 1364557498 /nfs/dbraw/zinc/55/74/98/1364557498.db2.gz JTQMEMCOWWIAKB-INIZCTEOSA-N 1 2 330.476 3.089 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](CC)CCCCC)c1nccn12 ZINC001101653022 1364674787 /nfs/dbraw/zinc/67/47/87/1364674787.db2.gz YHDXQGXUSBXRHY-IAGOWNOFSA-N 1 2 344.503 3.248 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC001102180212 1364918944 /nfs/dbraw/zinc/91/89/44/1364918944.db2.gz TWZHKDPARZXWLZ-GOSISDBHSA-N 1 2 336.439 3.248 20 30 EGEDLO C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]c(C(C)C)n1 ZINC001102205628 1364933112 /nfs/dbraw/zinc/93/31/12/1364933112.db2.gz NPEMQYBXAPKIQV-CALCHBBNSA-N 1 2 342.487 3.444 20 30 EGEDLO C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(CC)[nH+]c(C)n1 ZINC001102208742 1364934629 /nfs/dbraw/zinc/93/46/29/1364934629.db2.gz NNRGSGWJKMXNHR-CALCHBBNSA-N 1 2 342.487 3.129 20 30 EGEDLO C=CCC(CC=C)C(=O)N(CCC)[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102250163 1364964751 /nfs/dbraw/zinc/96/47/51/1364964751.db2.gz OYBXQVBAUVSJPL-SFHVURJKSA-N 1 2 342.487 3.371 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H](CN(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102457504 1365066843 /nfs/dbraw/zinc/06/68/43/1365066843.db2.gz UWMMBYZDJCZDFG-INIZCTEOSA-N 1 2 342.487 3.303 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N(C)[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102752620 1365202083 /nfs/dbraw/zinc/20/20/83/1365202083.db2.gz KXHCRJPVEUARFV-CXAGYDPISA-N 1 2 330.476 3.041 20 30 EGEDLO C=CCCCC(=O)N(C)[C@@H]1CCN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC001102758070 1365204899 /nfs/dbraw/zinc/20/48/99/1365204899.db2.gz WGCKSSAEJMDNOH-MRXNPFEDSA-N 1 2 342.487 3.057 20 30 EGEDLO C=CC(C)(C)C(=O)NCC[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102938658 1365303394 /nfs/dbraw/zinc/30/33/94/1365303394.db2.gz KEZBBOROAIPGNR-KRWDZBQOSA-N 1 2 344.503 3.337 20 30 EGEDLO Cc1cc(N[C@H]2CC[C@H](NC(=O)C#CC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001103637808 1365694410 /nfs/dbraw/zinc/69/44/10/1365694410.db2.gz FMANKIVZSASVAT-QAQDUYKDSA-N 1 2 342.487 3.407 20 30 EGEDLO C#CCCCCCC(=O)N[C@H](CNc1cc[nH+]c(C)n1)CC(C)C ZINC001104983978 1366257737 /nfs/dbraw/zinc/25/77/37/1366257737.db2.gz GDPFVKUQJGCPQA-KRWDZBQOSA-N 1 2 330.476 3.312 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001105098218 1366326513 /nfs/dbraw/zinc/32/65/13/1366326513.db2.gz WRUUIJRQKTYVCB-HOCLYGCPSA-N 1 2 330.476 3.426 20 30 EGEDLO C#CCCCC(=O)NC[C@H](Nc1cc(C)[nH+]c(C(C)C)n1)C(C)C ZINC001105162716 1366351170 /nfs/dbraw/zinc/35/11/70/1366351170.db2.gz WZRSDUCZIHSYLZ-INIZCTEOSA-N 1 2 330.476 3.265 20 30 EGEDLO C=CCCOCC(=O)NC[C@@H](Nc1cc(C)[nH+]c(C(C)C)n1)C(C)C ZINC001105194219 1366365242 /nfs/dbraw/zinc/36/52/42/1366365242.db2.gz UITKYJVJSQUYIU-MRXNPFEDSA-N 1 2 348.491 3.054 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2[C@H](CCN2c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001105620951 1366549539 /nfs/dbraw/zinc/54/95/39/1366549539.db2.gz NIWJWRIIWATQNO-SJORKVTESA-N 1 2 340.471 3.056 20 30 EGEDLO CC(C)c1cc(NCC[C@H](C)NC(=O)[C@@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001106268092 1366639342 /nfs/dbraw/zinc/63/93/42/1366639342.db2.gz CCGALXNINVJLKA-KBPBESRZSA-N 1 2 331.464 3.190 20 30 EGEDLO C#CCCCCC(=O)N[C@@H](C)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001106278456 1366641861 /nfs/dbraw/zinc/64/18/61/1366641861.db2.gz VXJNXPOSYQNAAN-HNNXBMFYSA-N 1 2 342.487 3.164 20 30 EGEDLO C#CCC1(C(=O)N(CC)CCNc2cc[nH+]c(C)n2)CCCCC1 ZINC001106784125 1366797586 /nfs/dbraw/zinc/79/75/86/1366797586.db2.gz HSZVOHDGZJYRHC-UHFFFAOYSA-N 1 2 328.460 3.019 20 30 EGEDLO C=C1CC(C)(C(=O)N(CC)CCNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001106940866 1366840993 /nfs/dbraw/zinc/84/09/93/1366840993.db2.gz NLMFLYTUMXRAHM-UHFFFAOYSA-N 1 2 328.460 3.279 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC/C=C\CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107461420 1366972030 /nfs/dbraw/zinc/97/20/30/1366972030.db2.gz DMRPOFKIUWMYKG-LZNQSLFOSA-N 1 2 342.487 3.350 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001109153514 1366979528 /nfs/dbraw/zinc/97/95/28/1366979528.db2.gz QAITWCMPYMXOSH-SQNIBIBYSA-N 1 2 344.405 3.162 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001109153514 1366979529 /nfs/dbraw/zinc/97/95/29/1366979529.db2.gz QAITWCMPYMXOSH-SQNIBIBYSA-N 1 2 344.405 3.162 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(-c3cccs3)o2)C1 ZINC001189318859 1366988248 /nfs/dbraw/zinc/98/82/48/1366988248.db2.gz RCQRHDCOSOQOAO-CQSZACIVSA-N 1 2 345.468 3.402 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(-c3cccs3)o2)C1 ZINC001189318859 1366988253 /nfs/dbraw/zinc/98/82/53/1366988253.db2.gz RCQRHDCOSOQOAO-CQSZACIVSA-N 1 2 345.468 3.402 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H](C)CN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001109184818 1366991974 /nfs/dbraw/zinc/99/19/74/1366991974.db2.gz IPSQLROOCMPSAN-CABCVRRESA-N 1 2 344.503 3.207 20 30 EGEDLO C=CCCC1(C(=O)NC/C=C/CNc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001107493449 1366993262 /nfs/dbraw/zinc/99/32/62/1366993262.db2.gz HEMNBVZYQGNHIY-AATRIKPKSA-N 1 2 340.471 3.493 20 30 EGEDLO C=CCCC1(C(=O)NC/C=C\CNc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001107493450 1366993328 /nfs/dbraw/zinc/99/33/28/1366993328.db2.gz HEMNBVZYQGNHIY-WAYWQWQTSA-N 1 2 340.471 3.493 20 30 EGEDLO C#CCCCCCC(=O)N[C@H](C)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001109195907 1366996459 /nfs/dbraw/zinc/99/64/59/1366996459.db2.gz WSFDPMSEXYAACH-QGZVFWFLSA-N 1 2 344.503 3.433 20 30 EGEDLO C=C1CC(C)(C(=O)NC/C=C/CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001107507298 1367007806 /nfs/dbraw/zinc/00/78/06/1367007806.db2.gz VNUVLXLIZMKEMQ-VOTSOKGWSA-N 1 2 328.460 3.349 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CCCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001109345902 1367073182 /nfs/dbraw/zinc/07/31/82/1367073182.db2.gz CJGGQGKYLMRULE-CVEARBPZSA-N 1 2 330.476 3.474 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CCCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC001109348386 1367077630 /nfs/dbraw/zinc/07/76/30/1367077630.db2.gz FRWARLACEJIJSI-ROUUACIJSA-N 1 2 342.487 3.456 20 30 EGEDLO CC(C)C#CC(=O)N[C@H](C)CNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001107705968 1367112329 /nfs/dbraw/zinc/11/23/29/1367112329.db2.gz SMTNOGUXHBLCRC-OAHLLOKOSA-N 1 2 330.476 3.299 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC001190053039 1367161684 /nfs/dbraw/zinc/16/16/84/1367161684.db2.gz CSTUNNNONMBUSZ-HOTGVXAUSA-N 1 2 345.487 3.225 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC001190053039 1367161690 /nfs/dbraw/zinc/16/16/90/1367161690.db2.gz CSTUNNNONMBUSZ-HOTGVXAUSA-N 1 2 345.487 3.225 20 30 EGEDLO C[C@@H](CC(F)F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109537777 1367185774 /nfs/dbraw/zinc/18/57/74/1367185774.db2.gz XUWORKOAGQINSF-IEAZIUSSSA-N 1 2 347.409 3.071 20 30 EGEDLO C[C@@H](CC(F)F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109537777 1367185779 /nfs/dbraw/zinc/18/57/79/1367185779.db2.gz XUWORKOAGQINSF-IEAZIUSSSA-N 1 2 347.409 3.071 20 30 EGEDLO CC1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)CC1 ZINC001109539598 1367187230 /nfs/dbraw/zinc/18/72/30/1367187230.db2.gz IIAOCUXRGRYMGF-NJAFHUGGSA-N 1 2 341.430 3.109 20 30 EGEDLO CC1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)CC1 ZINC001109539598 1367187234 /nfs/dbraw/zinc/18/72/34/1367187234.db2.gz IIAOCUXRGRYMGF-NJAFHUGGSA-N 1 2 341.430 3.109 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)c(C)s1 ZINC001109601477 1367224086 /nfs/dbraw/zinc/22/40/86/1367224086.db2.gz AGERFTZLPDPDFI-ILXRZTDVSA-N 1 2 333.501 3.194 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)c(C)s1 ZINC001109601477 1367224093 /nfs/dbraw/zinc/22/40/93/1367224093.db2.gz AGERFTZLPDPDFI-ILXRZTDVSA-N 1 2 333.501 3.194 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)sc1C ZINC001109601883 1367225673 /nfs/dbraw/zinc/22/56/73/1367225673.db2.gz SUKCNYASIQKAIZ-YCPHGPKFSA-N 1 2 333.501 3.194 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)sc1C ZINC001109601883 1367225679 /nfs/dbraw/zinc/22/56/79/1367225679.db2.gz SUKCNYASIQKAIZ-YCPHGPKFSA-N 1 2 333.501 3.194 20 30 EGEDLO C=C(C)CCC(=O)NC[C@]1(C)C[N@H+]([C@H](C)c2ccccc2F)CCO1 ZINC001107977817 1367227880 /nfs/dbraw/zinc/22/78/80/1367227880.db2.gz VJGQFEBHMLOAJI-OXQOHEQNSA-N 1 2 348.462 3.450 20 30 EGEDLO C=C(C)CCC(=O)NC[C@]1(C)C[N@@H+]([C@H](C)c2ccccc2F)CCO1 ZINC001107977817 1367227886 /nfs/dbraw/zinc/22/78/86/1367227886.db2.gz VJGQFEBHMLOAJI-OXQOHEQNSA-N 1 2 348.462 3.450 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(F)cccc1F ZINC001109627314 1367245625 /nfs/dbraw/zinc/24/56/25/1367245625.db2.gz LUIOSIKYNDUHND-CCKFTAQKSA-N 1 2 346.421 3.380 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(F)cccc1F ZINC001109627314 1367245627 /nfs/dbraw/zinc/24/56/27/1367245627.db2.gz LUIOSIKYNDUHND-CCKFTAQKSA-N 1 2 346.421 3.380 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2nc(C)c(C)s2)C1 ZINC001190396245 1367253399 /nfs/dbraw/zinc/25/33/99/1367253399.db2.gz DHJRABLHFAPQEH-OAHLLOKOSA-N 1 2 335.517 3.395 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(C)c(C)s2)C1 ZINC001190396245 1367253406 /nfs/dbraw/zinc/25/34/06/1367253406.db2.gz DHJRABLHFAPQEH-OAHLLOKOSA-N 1 2 335.517 3.395 20 30 EGEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1noc2c1CCCC2 ZINC001109656452 1367266717 /nfs/dbraw/zinc/26/67/17/1367266717.db2.gz VTPFBWMPDIXAIZ-HFTRVMKXSA-N 1 2 343.471 3.131 20 30 EGEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1noc2c1CCCC2 ZINC001109656452 1367266719 /nfs/dbraw/zinc/26/67/19/1367266719.db2.gz VTPFBWMPDIXAIZ-HFTRVMKXSA-N 1 2 343.471 3.131 20 30 EGEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)sc1C ZINC001109657363 1367267746 /nfs/dbraw/zinc/26/77/46/1367267746.db2.gz MHEWBZLCBQFKSH-VYDXJSESSA-N 1 2 333.501 3.338 20 30 EGEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)sc1C ZINC001109657363 1367267753 /nfs/dbraw/zinc/26/77/53/1367267753.db2.gz MHEWBZLCBQFKSH-VYDXJSESSA-N 1 2 333.501 3.338 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)C[N@H+](C/C=C/c2ccccc2)CCO1 ZINC001108118904 1367289961 /nfs/dbraw/zinc/28/99/61/1367289961.db2.gz DZOHATLUFRQRJJ-ZRFOIIEFSA-N 1 2 342.483 3.119 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)C[N@@H+](C/C=C/c2ccccc2)CCO1 ZINC001108118904 1367289965 /nfs/dbraw/zinc/28/99/65/1367289965.db2.gz DZOHATLUFRQRJJ-ZRFOIIEFSA-N 1 2 342.483 3.119 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)OC1CCCC1)C2 ZINC001109779945 1367318683 /nfs/dbraw/zinc/31/86/83/1367318683.db2.gz CCBVRKFQJLZHSY-IWCQGFGOSA-N 1 2 340.895 3.198 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)OC1CCCC1)C2 ZINC001109779945 1367318689 /nfs/dbraw/zinc/31/86/89/1367318689.db2.gz CCBVRKFQJLZHSY-IWCQGFGOSA-N 1 2 340.895 3.198 20 30 EGEDLO C=CCCCC(=O)NC[C@]1(C)C[N@H+](Cc2cc(F)ccc2C)CCO1 ZINC001108169356 1367319708 /nfs/dbraw/zinc/31/97/08/1367319708.db2.gz OZBGLGFHDYFXJA-HXUWFJFHSA-N 1 2 348.462 3.198 20 30 EGEDLO C=CCCCC(=O)NC[C@]1(C)C[N@@H+](Cc2cc(F)ccc2C)CCO1 ZINC001108169356 1367319712 /nfs/dbraw/zinc/31/97/12/1367319712.db2.gz OZBGLGFHDYFXJA-HXUWFJFHSA-N 1 2 348.462 3.198 20 30 EGEDLO C=CCCCC(=O)NC[C@]1(C)C[N@H+](Cc2ccc(C)c(F)c2)CCO1 ZINC001108171455 1367321782 /nfs/dbraw/zinc/32/17/82/1367321782.db2.gz JCARHYYLTCRKIL-HXUWFJFHSA-N 1 2 348.462 3.198 20 30 EGEDLO C=CCCCC(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(C)c(F)c2)CCO1 ZINC001108171455 1367321786 /nfs/dbraw/zinc/32/17/86/1367321786.db2.gz JCARHYYLTCRKIL-HXUWFJFHSA-N 1 2 348.462 3.198 20 30 EGEDLO CC(C)c1cc(NC[C@@H](NC(=O)[C@@H](C)C#N)C2CC2)nc(C(C)C)[nH+]1 ZINC001109795889 1367328040 /nfs/dbraw/zinc/32/80/40/1367328040.db2.gz LJRDIWNCULFTMN-XJKSGUPXSA-N 1 2 343.475 3.190 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H](c2ccccc2)C(C)C)C1 ZINC001108336416 1367396099 /nfs/dbraw/zinc/39/60/99/1367396099.db2.gz CKACJSYWLQTDCU-PZJWPPBQSA-N 1 2 344.499 3.209 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H](c2ccccc2)C(C)C)C1 ZINC001108336416 1367396103 /nfs/dbraw/zinc/39/61/03/1367396103.db2.gz CKACJSYWLQTDCU-PZJWPPBQSA-N 1 2 344.499 3.209 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2CCC(CCCC)CC2)C1 ZINC001108382620 1367428072 /nfs/dbraw/zinc/42/80/72/1367428072.db2.gz OYHPNKZYHYKKNJ-AFMYVXGZSA-N 1 2 336.520 3.376 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2CCC(CCCC)CC2)C1 ZINC001108382620 1367428074 /nfs/dbraw/zinc/42/80/74/1367428074.db2.gz OYHPNKZYHYKKNJ-AFMYVXGZSA-N 1 2 336.520 3.376 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@@H](CC)C1 ZINC001110033667 1367471696 /nfs/dbraw/zinc/47/16/96/1367471696.db2.gz NXXBFMNVEJLFCC-ROUUACIJSA-N 1 2 342.487 3.408 20 30 EGEDLO C#CCCCCC(=O)NCC1(Nc2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001110110669 1367506916 /nfs/dbraw/zinc/50/69/16/1367506916.db2.gz ZGDMOCNAQDHICJ-UHFFFAOYSA-N 1 2 328.460 3.163 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]([N@H+](C)Cc2ccncc2Cl)C1 ZINC001191726747 1367571644 /nfs/dbraw/zinc/57/16/44/1367571644.db2.gz AZRCFIJMJVFWMT-KRWDZBQOSA-N 1 2 347.890 3.351 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccncc2Cl)C1 ZINC001191726747 1367571649 /nfs/dbraw/zinc/57/16/49/1367571649.db2.gz AZRCFIJMJVFWMT-KRWDZBQOSA-N 1 2 347.890 3.351 20 30 EGEDLO CC(C)c1cc(N(C)C[C@@H](C)NC(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001108941719 1367674360 /nfs/dbraw/zinc/67/43/60/1367674360.db2.gz ZXJXEAYQMGNABW-OAHLLOKOSA-N 1 2 342.487 3.078 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@H]1[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001110415605 1367705484 /nfs/dbraw/zinc/70/54/84/1367705484.db2.gz RHUKFPSQSMVTGL-MSOLQXFVSA-N 1 2 342.487 3.349 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3ncc(C)s3)C2)CC1 ZINC001192207127 1367718737 /nfs/dbraw/zinc/71/87/37/1367718737.db2.gz VEAGJZWCYFUOKE-HNNXBMFYSA-N 1 2 333.501 3.231 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3ncc(C)s3)C2)CC1 ZINC001192207127 1367718741 /nfs/dbraw/zinc/71/87/41/1367718741.db2.gz VEAGJZWCYFUOKE-HNNXBMFYSA-N 1 2 333.501 3.231 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3csc(CC)n3)C2)CC1 ZINC001192217843 1367720646 /nfs/dbraw/zinc/72/06/46/1367720646.db2.gz KTHTYVMQAAYTFX-MRXNPFEDSA-N 1 2 347.528 3.485 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3csc(CC)n3)C2)CC1 ZINC001192217843 1367720660 /nfs/dbraw/zinc/72/06/60/1367720660.db2.gz KTHTYVMQAAYTFX-MRXNPFEDSA-N 1 2 347.528 3.485 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)[C@@H](C)c3ncc(C)o3)C2)CCC1 ZINC001192218802 1367721643 /nfs/dbraw/zinc/72/16/43/1367721643.db2.gz WONHOQZMBXLRDO-JKSUJKDBSA-N 1 2 331.460 3.323 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)[C@@H](C)c3ncc(C)o3)C2)CCC1 ZINC001192218802 1367721646 /nfs/dbraw/zinc/72/16/46/1367721646.db2.gz WONHOQZMBXLRDO-JKSUJKDBSA-N 1 2 331.460 3.323 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@]2(C1)CCCN(c1cc[nH+]c(C)n1)C2 ZINC001110459005 1367747692 /nfs/dbraw/zinc/74/76/92/1367747692.db2.gz VKFWOKLNYONSDV-FXAWDEMLSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]2CCN(c3cc(C)[nH+]c(C4CC4)n3)[C@H]2C1 ZINC001110488532 1367775529 /nfs/dbraw/zinc/77/55/29/1367775529.db2.gz UQEIQVBRWPSEQN-WBVHZDCISA-N 1 2 340.471 3.056 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001110501931 1367789872 /nfs/dbraw/zinc/78/98/72/1367789872.db2.gz LZFZQNWMNDMFIT-GDBMZVCRSA-N 1 2 328.460 3.420 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2csc(CC)n2)C1 ZINC001192578309 1367822682 /nfs/dbraw/zinc/82/26/82/1367822682.db2.gz OTGURSSKVXGANU-OAHLLOKOSA-N 1 2 335.517 3.341 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2csc(CC)n2)C1 ZINC001192578309 1367822689 /nfs/dbraw/zinc/82/26/89/1367822689.db2.gz OTGURSSKVXGANU-OAHLLOKOSA-N 1 2 335.517 3.341 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC1(C)CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001110605217 1367867411 /nfs/dbraw/zinc/86/74/11/1367867411.db2.gz HHHDYCGRMVELQQ-AWEZNQCLSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NC1(C)CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001110606965 1367869863 /nfs/dbraw/zinc/86/98/63/1367869863.db2.gz WTJBPFVNSIGZBW-ZIAGYGMSSA-N 1 2 344.503 3.335 20 30 EGEDLO C#CCN(C(=O)CC(C)(C)CC)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110626370 1367874012 /nfs/dbraw/zinc/87/40/12/1367874012.db2.gz XSUBJTFQENYJFK-UHFFFAOYSA-N 1 2 342.487 3.042 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@]1(C)CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001110786260 1367986117 /nfs/dbraw/zinc/98/61/17/1367986117.db2.gz QHALLQQLLWETTB-FQEVSTJZSA-N 1 2 342.487 3.255 20 30 EGEDLO C=CC1(CC(=O)N2CC[C@@H]([NH2+][C@H](C)c3csnn3)C2)CCCCC1 ZINC001186280733 1387914561 /nfs/dbraw/zinc/91/45/61/1387914561.db2.gz IIJMPVYBVYFLJQ-HUUCEWRRSA-N 1 2 348.516 3.316 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@]1(C)CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001110945010 1368112399 /nfs/dbraw/zinc/11/23/99/1368112399.db2.gz XJJPZSSVLDJGSZ-HXUWFJFHSA-N 1 2 344.503 3.481 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC001110948281 1368115544 /nfs/dbraw/zinc/11/55/44/1368115544.db2.gz REXNCSYUWOQEPH-FQEVSTJZSA-N 1 2 342.487 3.276 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110964489 1368127538 /nfs/dbraw/zinc/12/75/38/1368127538.db2.gz NDSZDTPLSWZLAY-QRQLOZEOSA-N 1 2 341.430 3.275 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110964489 1368127540 /nfs/dbraw/zinc/12/75/40/1368127540.db2.gz NDSZDTPLSWZLAY-QRQLOZEOSA-N 1 2 341.430 3.275 20 30 EGEDLO CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)CC1 ZINC001110993392 1368137985 /nfs/dbraw/zinc/13/79/85/1368137985.db2.gz ZOMSDISLANNQRT-NXHRZFHOSA-N 1 2 341.430 3.109 20 30 EGEDLO CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)CC1 ZINC001110993392 1368137989 /nfs/dbraw/zinc/13/79/89/1368137989.db2.gz ZOMSDISLANNQRT-NXHRZFHOSA-N 1 2 341.430 3.109 20 30 EGEDLO CC(C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CC1 ZINC001111004204 1368140775 /nfs/dbraw/zinc/14/07/75/1368140775.db2.gz IGKGVUWLFFNPPZ-QRVBRYPASA-N 1 2 337.467 3.216 20 30 EGEDLO CC(C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CC1 ZINC001111004204 1368140779 /nfs/dbraw/zinc/14/07/79/1368140779.db2.gz IGKGVUWLFFNPPZ-QRVBRYPASA-N 1 2 337.467 3.216 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccccc1C)C2 ZINC001111063334 1368151076 /nfs/dbraw/zinc/15/10/76/1368151076.db2.gz KTWVYQGVSCWXNA-KURKYZTESA-N 1 2 332.875 3.402 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccccc1C)C2 ZINC001111063334 1368151080 /nfs/dbraw/zinc/15/10/80/1368151080.db2.gz KTWVYQGVSCWXNA-KURKYZTESA-N 1 2 332.875 3.402 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1ncc(C)o1 ZINC001111072832 1368152233 /nfs/dbraw/zinc/15/22/33/1368152233.db2.gz VQKQPLJLMUXOKE-FPCVCCKLSA-N 1 2 331.460 3.368 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1ncc(C)o1 ZINC001111072832 1368152236 /nfs/dbraw/zinc/15/22/36/1368152236.db2.gz VQKQPLJLMUXOKE-FPCVCCKLSA-N 1 2 331.460 3.368 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1nc(C)[nH+]c(C)c1C)C2 ZINC001111165190 1368175218 /nfs/dbraw/zinc/17/52/18/1368175218.db2.gz XOYIFPKGXBCMCL-KSZLIROESA-N 1 2 342.487 3.232 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]([C@@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001111229645 1368205322 /nfs/dbraw/zinc/20/53/22/1368205322.db2.gz HVBYGHSAQNFRRW-WBVHZDCISA-N 1 2 328.460 3.018 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)[C@@H](C)c3nc(C)no3)C2)CCCC1 ZINC001194567652 1368287916 /nfs/dbraw/zinc/28/79/16/1368287916.db2.gz MNQYPZLIEWCSTN-HOCLYGCPSA-N 1 2 346.475 3.108 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)[C@@H](C)c3nc(C)no3)C2)CCCC1 ZINC001194567652 1368287918 /nfs/dbraw/zinc/28/79/18/1368287918.db2.gz MNQYPZLIEWCSTN-HOCLYGCPSA-N 1 2 346.475 3.108 20 30 EGEDLO CCCCCCCCCOC(=O)N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001194919802 1368347208 /nfs/dbraw/zinc/34/72/08/1368347208.db2.gz JQPXFRQFCOTPSE-MRXNPFEDSA-N 1 2 326.481 3.326 20 30 EGEDLO CCCCCCCCCOC(=O)N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001194919802 1368347217 /nfs/dbraw/zinc/34/72/17/1368347217.db2.gz JQPXFRQFCOTPSE-MRXNPFEDSA-N 1 2 326.481 3.326 20 30 EGEDLO CC(C)[C@H](C)CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001195199448 1368399204 /nfs/dbraw/zinc/39/92/04/1368399204.db2.gz BDTYZTGCSLRDFX-MRXNPFEDSA-N 1 2 345.462 3.414 20 30 EGEDLO CC(C)[C@H](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001195199448 1368399207 /nfs/dbraw/zinc/39/92/07/1368399207.db2.gz BDTYZTGCSLRDFX-MRXNPFEDSA-N 1 2 345.462 3.414 20 30 EGEDLO CC[C@H](C)CC(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001195666691 1368467797 /nfs/dbraw/zinc/46/77/97/1368467797.db2.gz BCNGKNZNBKDPPL-HNNXBMFYSA-N 1 2 331.435 3.168 20 30 EGEDLO CC[C@H](C)CC(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001195666691 1368467801 /nfs/dbraw/zinc/46/78/01/1368467801.db2.gz BCNGKNZNBKDPPL-HNNXBMFYSA-N 1 2 331.435 3.168 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[N@@H+]([C@H]2CCc3c2cc(F)cc3F)CC1 ZINC001195774913 1368487462 /nfs/dbraw/zinc/48/74/62/1368487462.db2.gz HHJPUSKNYCDEDK-IBGZPJMESA-N 1 2 346.421 3.146 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[N@H+]([C@H]2CCc3c2cc(F)cc3F)CC1 ZINC001195774913 1368487468 /nfs/dbraw/zinc/48/74/68/1368487468.db2.gz HHJPUSKNYCDEDK-IBGZPJMESA-N 1 2 346.421 3.146 20 30 EGEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](C/C(Cl)=C/Cl)C2 ZINC001111845864 1368500193 /nfs/dbraw/zinc/50/01/93/1368500193.db2.gz DKZIVNJGOYQGPL-SILSCELHSA-N 1 2 343.298 3.470 20 30 EGEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C/C(Cl)=C/Cl)C2 ZINC001111845864 1368500200 /nfs/dbraw/zinc/50/02/00/1368500200.db2.gz DKZIVNJGOYQGPL-SILSCELHSA-N 1 2 343.298 3.470 20 30 EGEDLO C#CCC1(C(=O)N2CCC[N@@H+](Cc3cc(F)cc(F)c3)CC2)CCC1 ZINC001196137907 1368556304 /nfs/dbraw/zinc/55/63/04/1368556304.db2.gz GUWFWIOAQRGCBD-UHFFFAOYSA-N 1 2 346.421 3.193 20 30 EGEDLO C#CCC1(C(=O)N2CCC[N@H+](Cc3cc(F)cc(F)c3)CC2)CCC1 ZINC001196137907 1368556308 /nfs/dbraw/zinc/55/63/08/1368556308.db2.gz GUWFWIOAQRGCBD-UHFFFAOYSA-N 1 2 346.421 3.193 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2F)CC1 ZINC001196853668 1368699922 /nfs/dbraw/zinc/69/99/22/1368699922.db2.gz LBQAJXCGMYZPTC-CABCVRRESA-N 1 2 336.426 3.457 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2F)CC1 ZINC001196853668 1368699927 /nfs/dbraw/zinc/69/99/27/1368699927.db2.gz LBQAJXCGMYZPTC-CABCVRRESA-N 1 2 336.426 3.457 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001196853768 1368699992 /nfs/dbraw/zinc/69/99/92/1368699992.db2.gz LYWYUOZHVBDQTJ-CVEARBPZSA-N 1 2 343.446 3.190 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001196853768 1368699996 /nfs/dbraw/zinc/69/99/96/1368699996.db2.gz LYWYUOZHVBDQTJ-CVEARBPZSA-N 1 2 343.446 3.190 20 30 EGEDLO O=C(CCCC1CC1)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001196862419 1368701697 /nfs/dbraw/zinc/70/16/97/1368701697.db2.gz JMEDUAMCXFSOSR-UHFFFAOYSA-N 1 2 342.458 3.292 20 30 EGEDLO O=C(CCCC1CC1)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001196862419 1368701699 /nfs/dbraw/zinc/70/16/99/1368701699.db2.gz JMEDUAMCXFSOSR-UHFFFAOYSA-N 1 2 342.458 3.292 20 30 EGEDLO C=CCCC(=O)N1CCC(C)(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001112345155 1368780604 /nfs/dbraw/zinc/78/06/04/1368780604.db2.gz HRPMHJFHOUODHV-UHFFFAOYSA-N 1 2 342.487 3.423 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001197292244 1368781467 /nfs/dbraw/zinc/78/14/67/1368781467.db2.gz TYLXLUPJNWFRMG-UHFFFAOYSA-N 1 2 343.446 3.334 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001197292244 1368781471 /nfs/dbraw/zinc/78/14/71/1368781471.db2.gz TYLXLUPJNWFRMG-UHFFFAOYSA-N 1 2 343.446 3.334 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001112434374 1368850495 /nfs/dbraw/zinc/85/04/95/1368850495.db2.gz XOPZMRAGIFUFGV-RHSMWYFYSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC(CN(CC)c2cc[nH+]c(C)n2)CC1 ZINC001112687071 1368981164 /nfs/dbraw/zinc/98/11/64/1368981164.db2.gz PEDHMTUFPMJQCH-KRWDZBQOSA-N 1 2 344.503 3.452 20 30 EGEDLO C=CCCC(=O)N1CC[NH+](Cc2cccc(OCC(C)C)c2)CC1 ZINC001112688261 1368981680 /nfs/dbraw/zinc/98/16/80/1368981680.db2.gz KQOUDGROGZRBKR-UHFFFAOYSA-N 1 2 330.472 3.332 20 30 EGEDLO C#CCCCC(=O)N1CC[NH+](C/C=C\c2ccc(Cl)cc2)CC1 ZINC001112809782 1369020846 /nfs/dbraw/zinc/02/08/46/1369020846.db2.gz QKLFDEVLJODTAO-WAYWQWQTSA-N 1 2 330.859 3.301 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)c1ccc(C)o1)c1ccccc1OC ZINC001198516054 1369050596 /nfs/dbraw/zinc/05/05/96/1369050596.db2.gz SJKONKMFXGWNPL-HNNXBMFYSA-N 1 2 348.830 3.410 20 30 EGEDLO C=C(C)[C@H](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2F)CC1)OCC ZINC001112909326 1369086267 /nfs/dbraw/zinc/08/62/67/1369086267.db2.gz OJNDTNVXWQJFKX-APWZRJJASA-N 1 2 348.462 3.402 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](CCO[C@@H]3CCCC[C@@H]3C)CC2)CCC1 ZINC001113310978 1369337706 /nfs/dbraw/zinc/33/77/06/1369337706.db2.gz WJBSCNGMZRKFBN-RBUKOAKNSA-N 1 2 348.531 3.472 20 30 EGEDLO Cc1nc(NC2CCC(N(C)C(=O)C#CC(C)(C)C)CC2)cc[nH+]1 ZINC001113384098 1369384194 /nfs/dbraw/zinc/38/41/94/1369384194.db2.gz HWSLSUFWZNKEJD-UHFFFAOYSA-N 1 2 328.460 3.016 20 30 EGEDLO C=CC[NH+]1CCN(C(=S)Nc2cccc(Cl)c2Cl)CC1 ZINC001201014217 1369466352 /nfs/dbraw/zinc/46/63/52/1369466352.db2.gz WWLSZXCSEPULOL-UHFFFAOYSA-N 1 2 330.284 3.494 20 30 EGEDLO CC(C)C[C@@H](C)CC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001113526756 1369477402 /nfs/dbraw/zinc/47/74/02/1369477402.db2.gz KKRZPQCHBDODBC-QGZVFWFLSA-N 1 2 327.472 3.275 20 30 EGEDLO CCCCCCC[NH+]1CCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC001113599833 1369510004 /nfs/dbraw/zinc/51/00/04/1369510004.db2.gz QTFAPZFZXBOBRK-UHFFFAOYSA-N 1 2 328.460 3.291 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](CCOCC(C)C)CC2)CCCCC1 ZINC001113670769 1369558487 /nfs/dbraw/zinc/55/84/87/1369558487.db2.gz RLUPHDWDVSWFCJ-UHFFFAOYSA-N 1 2 336.520 3.330 20 30 EGEDLO CC#CCCCC(=O)NC[C@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001113823920 1369623978 /nfs/dbraw/zinc/62/39/78/1369623978.db2.gz GBGTUOUNIBJBNB-INIZCTEOSA-N 1 2 330.476 3.043 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)N(C)c2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001113853805 1369634893 /nfs/dbraw/zinc/63/48/93/1369634893.db2.gz QXNODYYODBHJRF-OAHLLOKOSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(CCC(C)C)n3)C[C@H]21 ZINC001114002929 1369680735 /nfs/dbraw/zinc/68/07/35/1369680735.db2.gz QJOXOXPJVBUTHY-MNZLEMJZSA-N 1 2 347.528 3.244 20 30 EGEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(CCC(C)C)n3)C[C@H]21 ZINC001114002929 1369680736 /nfs/dbraw/zinc/68/07/36/1369680736.db2.gz QJOXOXPJVBUTHY-MNZLEMJZSA-N 1 2 347.528 3.244 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CN(c3cc[nH+]c(C)n3)CC[C@H]2C)CCCC1 ZINC001114031134 1369693224 /nfs/dbraw/zinc/69/32/24/1369693224.db2.gz QZYWQYYXFXXDFK-WBVHZDCISA-N 1 2 342.487 3.253 20 30 EGEDLO CC#CCCCC(=O)N(C)CC[C@@H](Nc1cc[nH+]c(C)n1)C(C)C ZINC001114110559 1369742215 /nfs/dbraw/zinc/74/22/15/1369742215.db2.gz SMJSGDCOHAYSOP-QGZVFWFLSA-N 1 2 330.476 3.264 20 30 EGEDLO C=CCCOCC(=O)N[C@@H](C)CCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001114955512 1370176366 /nfs/dbraw/zinc/17/63/66/1370176366.db2.gz NOTMJDDOEGNBDT-HNNXBMFYSA-N 1 2 348.491 3.198 20 30 EGEDLO CCC[C@@H](CC)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001115035564 1370230192 /nfs/dbraw/zinc/23/01/92/1370230192.db2.gz FXTOLQPDDNPGSY-BPQTVZERSA-N 1 2 343.446 3.070 20 30 EGEDLO CCC[C@@H](CC)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001115035564 1370230193 /nfs/dbraw/zinc/23/01/93/1370230193.db2.gz FXTOLQPDDNPGSY-BPQTVZERSA-N 1 2 343.446 3.070 20 30 EGEDLO C=CCOc1ccc(C[NH+]2CCN(CCc3ccccn3)CC2)cc1 ZINC001204300655 1370435985 /nfs/dbraw/zinc/43/59/85/1370435985.db2.gz YOGLZTDOOBLRDC-UHFFFAOYSA-N 1 2 337.467 3.007 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@H](COCC)C2)cc1 ZINC001204299635 1370436131 /nfs/dbraw/zinc/43/61/31/1370436131.db2.gz DAGYXROFAYHMLT-KRWDZBQOSA-N 1 2 341.455 3.121 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2Cc3ncn(C)c3[C@H](COCC)C2)cc1 ZINC001204299635 1370436133 /nfs/dbraw/zinc/43/61/33/1370436133.db2.gz DAGYXROFAYHMLT-KRWDZBQOSA-N 1 2 341.455 3.121 20 30 EGEDLO C#CCCCC(=O)N(C)[C@H](CNc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001115511618 1370510227 /nfs/dbraw/zinc/51/02/27/1370510227.db2.gz KAVAQKKGMSKWBG-QGZVFWFLSA-N 1 2 340.471 3.115 20 30 EGEDLO CCOc1cccc(N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)c1 ZINC001205496729 1370772406 /nfs/dbraw/zinc/77/24/06/1370772406.db2.gz OJZVZRHLXTZGDW-UHFFFAOYSA-N 1 2 339.414 3.418 20 30 EGEDLO CC(C)(C)OC(=O)NCC1(C)C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001205502414 1370773939 /nfs/dbraw/zinc/77/39/39/1370773939.db2.gz UWWQHJLNFUWEDD-UHFFFAOYSA-N 1 2 333.407 3.044 20 30 EGEDLO N#Cc1ccc(F)c(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC001206057101 1370950038 /nfs/dbraw/zinc/95/00/38/1370950038.db2.gz ZHPWDLONTMMNTE-UHFFFAOYSA-N 1 2 349.369 3.264 20 30 EGEDLO C=C[C@@H](COC)NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC001117662646 1371059390 /nfs/dbraw/zinc/05/93/90/1371059390.db2.gz IOFMVMFVACVOPR-HNNXBMFYSA-N 1 2 340.427 3.209 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)C[C@H]1C ZINC001206911442 1371221066 /nfs/dbraw/zinc/22/10/66/1371221066.db2.gz PZXSERMCBLTTIU-OWCLPIDISA-N 1 2 345.487 3.273 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)C[C@H]1C ZINC001206911442 1371221070 /nfs/dbraw/zinc/22/10/70/1371221070.db2.gz PZXSERMCBLTTIU-OWCLPIDISA-N 1 2 345.487 3.273 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3ncc(F)cc3F)C2)cc1 ZINC001207101209 1371293624 /nfs/dbraw/zinc/29/36/24/1371293624.db2.gz IIDSKMVPGNKACI-MRXNPFEDSA-N 1 2 329.350 3.275 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CCC[N@H+](Cc3ncc(F)cc3F)C2)cc1 ZINC001207101209 1371293629 /nfs/dbraw/zinc/29/36/29/1371293629.db2.gz IIDSKMVPGNKACI-MRXNPFEDSA-N 1 2 329.350 3.275 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nc(CCCC)no2)C1 ZINC001207629501 1371458855 /nfs/dbraw/zinc/45/88/55/1371458855.db2.gz SHKUJUOVWCZWCQ-GJZGRUSLSA-N 1 2 334.464 3.020 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](Cc2c(F)cccc2F)C[C@H]1C ZINC001208371178 1371740358 /nfs/dbraw/zinc/74/03/58/1371740358.db2.gz IXHVBGCSIMHESN-RDTXWAMCSA-N 1 2 334.410 3.095 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2c(F)cccc2F)C[C@H]1C ZINC001208371178 1371740361 /nfs/dbraw/zinc/74/03/61/1371740361.db2.gz IXHVBGCSIMHESN-RDTXWAMCSA-N 1 2 334.410 3.095 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2csc(C3CC3)n2)C[C@H]1C ZINC001208452593 1371771587 /nfs/dbraw/zinc/77/15/87/1371771587.db2.gz UDFIZVWWTAEONB-CZUORRHYSA-N 1 2 333.501 3.313 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2csc(C3CC3)n2)C[C@H]1C ZINC001208452593 1371771590 /nfs/dbraw/zinc/77/15/90/1371771590.db2.gz UDFIZVWWTAEONB-CZUORRHYSA-N 1 2 333.501 3.313 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C(C)(C)C)o2)C[C@H]1C ZINC001208458706 1371774895 /nfs/dbraw/zinc/77/48/95/1371774895.db2.gz UIZIFOBUDHPVLQ-HUUCEWRRSA-N 1 2 333.476 3.265 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2ncc(C(C)(C)C)o2)C[C@H]1C ZINC001208458706 1371774896 /nfs/dbraw/zinc/77/48/96/1371774896.db2.gz UIZIFOBUDHPVLQ-HUUCEWRRSA-N 1 2 333.476 3.265 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ncoc3C(C)C)C[C@H]2C)CCC1 ZINC001208517394 1371797321 /nfs/dbraw/zinc/79/73/21/1371797321.db2.gz HCELXSXOCVYRSG-HZPDHXFCSA-N 1 2 345.487 3.481 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ncoc3C(C)C)C[C@H]2C)CCC1 ZINC001208517394 1371797325 /nfs/dbraw/zinc/79/73/25/1371797325.db2.gz HCELXSXOCVYRSG-HZPDHXFCSA-N 1 2 345.487 3.481 20 30 EGEDLO N#Cc1ccc(CCCN2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)cc1 ZINC001208864299 1371923343 /nfs/dbraw/zinc/92/33/43/1371923343.db2.gz ORNITCRNLPKOTL-SFHVURJKSA-N 1 2 333.426 3.296 20 30 EGEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(CCC)CCC ZINC001121493185 1371990865 /nfs/dbraw/zinc/99/08/65/1371990865.db2.gz WNGVUNXSJJSHFT-SJORKVTESA-N 1 2 347.507 3.016 20 30 EGEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(CCC)CCC ZINC001121493185 1371990870 /nfs/dbraw/zinc/99/08/70/1371990870.db2.gz WNGVUNXSJJSHFT-SJORKVTESA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C3CCC3)no2)C1 ZINC001209183536 1372028293 /nfs/dbraw/zinc/02/82/93/1372028293.db2.gz NZTGWXWWIONLHA-GDBMZVCRSA-N 1 2 346.475 3.020 20 30 EGEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N(C)[C@@H](C)c1ccco1 ZINC001121624417 1372028983 /nfs/dbraw/zinc/02/89/83/1372028983.db2.gz YRPJGVUPTMZIEV-HNNXBMFYSA-N 1 2 329.448 3.240 20 30 EGEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@@H](C)CCC ZINC001121684197 1372046166 /nfs/dbraw/zinc/04/61/66/1372046166.db2.gz HEDAXIAFCNJUFK-INIZCTEOSA-N 1 2 344.507 3.182 20 30 EGEDLO CC[C@H]1C[C@@H](C)CN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CC ZINC001121712295 1372055715 /nfs/dbraw/zinc/05/57/15/1372055715.db2.gz MIRABCDDMCFPHJ-WBVHZDCISA-N 1 2 344.507 3.016 20 30 EGEDLO C=CC1(CC(=O)N[C@@H]2C[N@@H+](Cc3coc(C)n3)C[C@H]2C)CCCCC1 ZINC001209406315 1372095334 /nfs/dbraw/zinc/09/53/34/1372095334.db2.gz JJSJKDRVUMNING-CRAIPNDOSA-N 1 2 345.487 3.446 20 30 EGEDLO C=CC1(CC(=O)N[C@@H]2C[N@H+](Cc3coc(C)n3)C[C@H]2C)CCCCC1 ZINC001209406315 1372095337 /nfs/dbraw/zinc/09/53/37/1372095337.db2.gz JJSJKDRVUMNING-CRAIPNDOSA-N 1 2 345.487 3.446 20 30 EGEDLO N#C[C@H]1C[NH2+]CCN1Cc1ccc2ccc(-c3ccccc3)nc2c1 ZINC001210122952 1372275782 /nfs/dbraw/zinc/27/57/82/1372275782.db2.gz WJQAROSJOZIFRH-IBGZPJMESA-N 1 2 328.419 3.199 20 30 EGEDLO CC(C)Oc1c(Cl)cc(CN2CC[NH2+]C[C@@H]2C#N)cc1Cl ZINC001210123042 1372276034 /nfs/dbraw/zinc/27/60/34/1372276034.db2.gz XXXZPVFKNXUZBX-LBPRGKRZSA-N 1 2 328.243 3.078 20 30 EGEDLO N#C[C@@H]1C[NH2+]CCN1Cc1c(Cl)cc(Br)cc1Cl ZINC001210123175 1372276198 /nfs/dbraw/zinc/27/61/98/1372276198.db2.gz ZYIKYIJUBACMGH-SECBINFHSA-N 1 2 349.059 3.053 20 30 EGEDLO Cc1cc(Nc2ccc3[nH+]cc(Br)n3c2)cnc1C#N ZINC001210204061 1372293342 /nfs/dbraw/zinc/29/33/42/1372293342.db2.gz LSNHEXUBDMPNGV-UHFFFAOYSA-N 1 2 328.173 3.416 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)C(C)(C)C)C1 ZINC001210589551 1372385762 /nfs/dbraw/zinc/38/57/62/1372385762.db2.gz JWPOOMUDZMCZBH-MBNYWOFBSA-N 1 2 345.325 3.404 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)C(C)(C)C)C1 ZINC001210589551 1372385768 /nfs/dbraw/zinc/38/57/68/1372385768.db2.gz JWPOOMUDZMCZBH-MBNYWOFBSA-N 1 2 345.325 3.404 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@H]1C ZINC001123636435 1372534159 /nfs/dbraw/zinc/53/41/59/1372534159.db2.gz MNEDKEXSKQCEDX-RDJZCZTQSA-N 1 2 330.476 3.232 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001123760300 1372579642 /nfs/dbraw/zinc/57/96/42/1372579642.db2.gz ITUUSTDMQLYDOW-HZPDHXFCSA-N 1 2 342.487 3.327 20 30 EGEDLO C=CCC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1c1ccccc1 ZINC001211605425 1372589135 /nfs/dbraw/zinc/58/91/35/1372589135.db2.gz NPKNBYJLBPUKTR-ZNMIVQPWSA-N 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C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2nc(C)sc2C)C1 ZINC001132002770 1375093641 /nfs/dbraw/zinc/09/36/41/1375093641.db2.gz NWFNWDOXBAKHOP-XJKSGUPXSA-N 1 2 333.501 3.033 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2nc(C)sc2C)C1 ZINC001132002770 1375093645 /nfs/dbraw/zinc/09/36/45/1375093645.db2.gz NWFNWDOXBAKHOP-XJKSGUPXSA-N 1 2 333.501 3.033 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001132003261 1375094359 /nfs/dbraw/zinc/09/43/59/1375094359.db2.gz RVTLFEZLMBAWIV-WMLDXEAASA-N 1 2 334.410 3.237 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cc(F)ccc2F)C1 ZINC001132003261 1375094366 /nfs/dbraw/zinc/09/43/66/1375094366.db2.gz RVTLFEZLMBAWIV-WMLDXEAASA-N 1 2 334.410 3.237 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(F)cc2F)C1 ZINC001132018214 1375100321 /nfs/dbraw/zinc/10/03/21/1375100321.db2.gz VOXYBWVWPUDSKU-RHSMWYFYSA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(F)cc2F)C1 ZINC001132018214 1375100323 /nfs/dbraw/zinc/10/03/23/1375100323.db2.gz VOXYBWVWPUDSKU-RHSMWYFYSA-N 1 2 334.410 3.093 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1ccc(Cl)s1 ZINC001132033669 1375108192 /nfs/dbraw/zinc/10/81/92/1375108192.db2.gz JLKDQYCHEKDTRV-TZMCWYRMSA-N 1 2 336.888 3.284 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1ccc(Cl)s1 ZINC001132033669 1375108196 /nfs/dbraw/zinc/10/81/96/1375108196.db2.gz JLKDQYCHEKDTRV-TZMCWYRMSA-N 1 2 336.888 3.284 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1c(F)cccc1Cl ZINC001132033690 1375108576 /nfs/dbraw/zinc/10/85/76/1375108576.db2.gz JVPQIINWVSMFAT-DZGCQCFKSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1c(F)cccc1Cl ZINC001132033690 1375108578 /nfs/dbraw/zinc/10/85/78/1375108578.db2.gz JVPQIINWVSMFAT-DZGCQCFKSA-N 1 2 348.849 3.362 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2nccs2)C1 ZINC001132057477 1375123099 /nfs/dbraw/zinc/12/30/99/1375123099.db2.gz PUATWULNOXEMBR-GDBMZVCRSA-N 1 2 333.501 3.381 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2nccs2)C1 ZINC001132057477 1375123101 /nfs/dbraw/zinc/12/31/01/1375123101.db2.gz PUATWULNOXEMBR-GDBMZVCRSA-N 1 2 333.501 3.381 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cc3n(n2)CCCC3)C1 ZINC001132071401 1375132993 /nfs/dbraw/zinc/13/29/93/1375132993.db2.gz ADUJQJUJKBTOQU-DLBZAZTESA-N 1 2 344.503 3.045 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cc3n(n2)CCCC3)C1 ZINC001132071401 1375132996 /nfs/dbraw/zinc/13/29/96/1375132996.db2.gz ADUJQJUJKBTOQU-DLBZAZTESA-N 1 2 344.503 3.045 20 30 EGEDLO N#Cc1ccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC001225727293 1375150356 /nfs/dbraw/zinc/15/03/56/1375150356.db2.gz OJOKDFGXGPIMNC-QGZVFWFLSA-N 1 2 342.826 3.491 20 30 EGEDLO N#Cc1ccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC001225727293 1375150360 /nfs/dbraw/zinc/15/03/60/1375150360.db2.gz OJOKDFGXGPIMNC-QGZVFWFLSA-N 1 2 342.826 3.491 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCc2ccsc2)CC[C@@H]1C ZINC001132115220 1375155570 /nfs/dbraw/zinc/15/55/70/1375155570.db2.gz ISKSJQGOZGPNQX-DZGCQCFKSA-N 1 2 326.893 3.402 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCc2ccsc2)CC[C@@H]1C ZINC001132115220 1375155573 /nfs/dbraw/zinc/15/55/73/1375155573.db2.gz ISKSJQGOZGPNQX-DZGCQCFKSA-N 1 2 326.893 3.402 20 30 EGEDLO N#Cc1ccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(F)c1F ZINC001226018489 1375190299 /nfs/dbraw/zinc/19/02/99/1375190299.db2.gz XYOCLTUWQIFIBB-INIZCTEOSA-N 1 2 344.361 3.116 20 30 EGEDLO N#Cc1ccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(F)c1F ZINC001226018489 1375190300 /nfs/dbraw/zinc/19/03/00/1375190300.db2.gz XYOCLTUWQIFIBB-INIZCTEOSA-N 1 2 344.361 3.116 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2nc(C)sc2C)C1 ZINC001132218464 1375217211 /nfs/dbraw/zinc/21/72/11/1375217211.db2.gz QUSKYBWLGQOICE-WFASDCNBSA-N 1 2 335.517 3.441 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2nc(C)sc2C)C1 ZINC001132218464 1375217213 /nfs/dbraw/zinc/21/72/13/1375217213.db2.gz QUSKYBWLGQOICE-WFASDCNBSA-N 1 2 335.517 3.441 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2nc(C)sc2C)C1 ZINC001132235008 1375229962 /nfs/dbraw/zinc/22/99/62/1375229962.db2.gz HUKGGMURYIWFSJ-PBHICJAKSA-N 1 2 347.528 3.423 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)sc2C)C1 ZINC001132235008 1375229971 /nfs/dbraw/zinc/22/99/71/1375229971.db2.gz HUKGGMURYIWFSJ-PBHICJAKSA-N 1 2 347.528 3.423 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2coc(C)n2)C1 ZINC001132241078 1375235843 /nfs/dbraw/zinc/23/58/43/1375235843.db2.gz QGSJJBPHWXYWMR-RDJZCZTQSA-N 1 2 331.460 3.036 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2coc(C)n2)C1 ZINC001132241078 1375235849 /nfs/dbraw/zinc/23/58/49/1375235849.db2.gz QGSJJBPHWXYWMR-RDJZCZTQSA-N 1 2 331.460 3.036 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3snnc3C)C2)CC1 ZINC001132278738 1375262338 /nfs/dbraw/zinc/26/23/38/1375262338.db2.gz PYHBANQGXNQSDI-ZFWWWQNUSA-N 1 2 348.516 3.062 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3snnc3C)C2)CC1 ZINC001132278738 1375262345 /nfs/dbraw/zinc/26/23/45/1375262345.db2.gz PYHBANQGXNQSDI-ZFWWWQNUSA-N 1 2 348.516 3.062 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3ccn(CC)n3)C2)CC1 ZINC001132279608 1375263345 /nfs/dbraw/zinc/26/33/45/1375263345.db2.gz ZYBYJWXCFZSISV-IAGOWNOFSA-N 1 2 344.503 3.119 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3ccn(CC)n3)C2)CC1 ZINC001132279608 1375263349 /nfs/dbraw/zinc/26/33/49/1375263349.db2.gz ZYBYJWXCFZSISV-IAGOWNOFSA-N 1 2 344.503 3.119 20 30 EGEDLO C#CCCCC(=O)NC1CC[NH+](Cc2csc(C(C)(C)C)n2)CC1 ZINC001227108623 1375391540 /nfs/dbraw/zinc/39/15/40/1375391540.db2.gz TUGWBGPNFJMQMV-UHFFFAOYSA-N 1 2 347.528 3.325 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)COc2ccc(C)cc2)CC[C@@H]1C ZINC001132468002 1375409025 /nfs/dbraw/zinc/40/90/25/1375409025.db2.gz LDWGPGUZLXNRMG-HOTGVXAUSA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)COc2ccc(C)cc2)CC[C@@H]1C ZINC001132468002 1375409027 /nfs/dbraw/zinc/40/90/27/1375409027.db2.gz LDWGPGUZLXNRMG-HOTGVXAUSA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)COc2ccc(C)cc2)CC[C@H]1C ZINC001132468000 1375409033 /nfs/dbraw/zinc/40/90/33/1375409033.db2.gz LDWGPGUZLXNRMG-CVEARBPZSA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)COc2ccc(C)cc2)CC[C@H]1C ZINC001132468000 1375409034 /nfs/dbraw/zinc/40/90/34/1375409034.db2.gz LDWGPGUZLXNRMG-CVEARBPZSA-N 1 2 336.863 3.095 20 30 EGEDLO CC(C)CCC(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001188820627 1388383261 /nfs/dbraw/zinc/38/32/61/1388383261.db2.gz IIQKQCWTAVMSJV-SFHVURJKSA-N 1 2 331.435 3.166 20 30 EGEDLO CC(C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001188820627 1388383265 /nfs/dbraw/zinc/38/32/65/1388383265.db2.gz IIQKQCWTAVMSJV-SFHVURJKSA-N 1 2 331.435 3.166 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC1CC[NH+](Cc2nc3c(o2)CCCC3)CC1 ZINC001228597578 1375610147 /nfs/dbraw/zinc/61/01/47/1375610147.db2.gz UAIRJLWIJMGESM-UHFFFAOYSA-N 1 2 345.487 3.236 20 30 EGEDLO CC#CCCCC(=O)NC1CC[NH+]([C@H](C)c2nc(C(C)C)no2)CC1 ZINC001228712074 1375648336 /nfs/dbraw/zinc/64/83/36/1375648336.db2.gz HGPKKSYBQSCFBX-OAHLLOKOSA-N 1 2 346.475 3.028 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ncc(C(C)C)o2)CC1 ZINC001228748905 1375661687 /nfs/dbraw/zinc/66/16/87/1375661687.db2.gz OGPBBSALZWPOQB-CABCVRRESA-N 1 2 333.476 3.337 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC1CC[NH+]([C@@H](C)c2nnc(C)s2)CC1 ZINC001228801339 1375681755 /nfs/dbraw/zinc/68/17/55/1375681755.db2.gz MQRYDHAELIGQRF-OLZOCXBDSA-N 1 2 336.505 3.090 20 30 EGEDLO C=CCc1ccc(O)c(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001229338591 1375812315 /nfs/dbraw/zinc/81/23/15/1375812315.db2.gz ITMPSNZAOKCKJV-IBGZPJMESA-N 1 2 339.435 3.401 20 30 EGEDLO C=CCc1ccc(O)c(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001229338591 1375812318 /nfs/dbraw/zinc/81/23/18/1375812318.db2.gz ITMPSNZAOKCKJV-IBGZPJMESA-N 1 2 339.435 3.401 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccn(C(C)C)n3)C[C@H]21 ZINC001188896238 1388403739 /nfs/dbraw/zinc/40/37/39/1388403739.db2.gz MFDFCTAQLRBHIJ-ZIFCJYIRSA-N 1 2 344.503 3.099 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(C(C)C)n3)C[C@H]21 ZINC001188896238 1388403742 /nfs/dbraw/zinc/40/37/42/1388403742.db2.gz MFDFCTAQLRBHIJ-ZIFCJYIRSA-N 1 2 344.503 3.099 20 30 EGEDLO C/C(=C\C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F)C1CC1 ZINC001230948193 1376186258 /nfs/dbraw/zinc/18/62/58/1376186258.db2.gz LQQNJJRJAPYHJZ-MXHVWWQHSA-N 1 2 341.430 3.086 20 30 EGEDLO C/C(=C\C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(C#N)ccc1F)C1CC1 ZINC001230948193 1376186264 /nfs/dbraw/zinc/18/62/64/1376186264.db2.gz LQQNJJRJAPYHJZ-MXHVWWQHSA-N 1 2 341.430 3.086 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001231911461 1376346445 /nfs/dbraw/zinc/34/64/45/1376346445.db2.gz MAHZQJJZBAHQRR-CRAIPNDOSA-N 1 2 337.847 3.372 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001231911461 1376346453 /nfs/dbraw/zinc/34/64/53/1376346453.db2.gz MAHZQJJZBAHQRR-CRAIPNDOSA-N 1 2 337.847 3.372 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Br)ncc1F ZINC001231918158 1376351942 /nfs/dbraw/zinc/35/19/42/1376351942.db2.gz VRLVDKUWYREXDU-UHFFFAOYSA-N 1 2 334.192 3.487 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Br)ncc1F ZINC001231918158 1376351949 /nfs/dbraw/zinc/35/19/49/1376351949.db2.gz VRLVDKUWYREXDU-UHFFFAOYSA-N 1 2 334.192 3.487 20 30 EGEDLO COC(=O)CCC[N@H+](Cc1ccccc1)Cc1cc(C#N)ccc1O ZINC001232674161 1376498876 /nfs/dbraw/zinc/49/88/76/1376498876.db2.gz SHBHICHQFDNJLM-UHFFFAOYSA-N 1 2 338.407 3.219 20 30 EGEDLO COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccc1O ZINC001232674161 1376498878 /nfs/dbraw/zinc/49/88/78/1376498878.db2.gz SHBHICHQFDNJLM-UHFFFAOYSA-N 1 2 338.407 3.219 20 30 EGEDLO N#Cc1ccc(O)c(C[NH+]2CCN(c3nccc4ccccc43)CC2)c1 ZINC001232679409 1376499897 /nfs/dbraw/zinc/49/98/97/1376499897.db2.gz JLHDWOWXGRCJTF-UHFFFAOYSA-N 1 2 344.418 3.134 20 30 EGEDLO COC(=O)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2O)[C@H]1c1ccccc1 ZINC001232680328 1376500428 /nfs/dbraw/zinc/50/04/28/1376500428.db2.gz BWADYDYFSGQGOR-HKUYNNGSSA-N 1 2 336.391 3.000 20 30 EGEDLO COC(=O)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)[C@H]1c1ccccc1 ZINC001232680328 1376500431 /nfs/dbraw/zinc/50/04/31/1376500431.db2.gz BWADYDYFSGQGOR-HKUYNNGSSA-N 1 2 336.391 3.000 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001232844019 1376522615 /nfs/dbraw/zinc/52/26/15/1376522615.db2.gz FCGIUJPBOZINEZ-BETUJISGSA-N 1 2 333.457 3.203 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001232844019 1376522619 /nfs/dbraw/zinc/52/26/19/1376522619.db2.gz FCGIUJPBOZINEZ-BETUJISGSA-N 1 2 333.457 3.203 20 30 EGEDLO COc1ccc(O[C@@H]2CCC[N@H+](Cc3cc(F)ccc3C#N)C2)nc1 ZINC001232892849 1376536130 /nfs/dbraw/zinc/53/61/30/1376536130.db2.gz ZGLRNSFBUIDQNU-GOSISDBHSA-N 1 2 341.386 3.144 20 30 EGEDLO COc1ccc(O[C@@H]2CCC[N@@H+](Cc3cc(F)ccc3C#N)C2)nc1 ZINC001232892849 1376536132 /nfs/dbraw/zinc/53/61/32/1376536132.db2.gz ZGLRNSFBUIDQNU-GOSISDBHSA-N 1 2 341.386 3.144 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(Cl)c(OC)c1 ZINC001233946396 1376741307 /nfs/dbraw/zinc/74/13/07/1376741307.db2.gz APRHHOGLBQXOSY-INIZCTEOSA-N 1 2 348.874 3.185 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(Cl)c(OC)c1 ZINC001233946396 1376741313 /nfs/dbraw/zinc/74/13/13/1376741313.db2.gz APRHHOGLBQXOSY-INIZCTEOSA-N 1 2 348.874 3.185 20 30 EGEDLO CC(C)c1cccc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)C#CC(C)(C)C)n1 ZINC001234196495 1376784176 /nfs/dbraw/zinc/78/41/76/1376784176.db2.gz URGOAVOCYGRKHJ-GOSISDBHSA-N 1 2 341.499 3.287 20 30 EGEDLO CC(C)c1cccc(C[N@H+]2CC[C@@H]2CN(C)C(=O)C#CC(C)(C)C)n1 ZINC001234196495 1376784180 /nfs/dbraw/zinc/78/41/80/1376784180.db2.gz URGOAVOCYGRKHJ-GOSISDBHSA-N 1 2 341.499 3.287 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nnsc1Cl ZINC001135181712 1376953986 /nfs/dbraw/zinc/95/39/86/1376953986.db2.gz UIYVJSRZQGTFHF-WDEREUQCSA-N 1 2 344.912 3.167 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(F)(F)C(F)F ZINC001135564754 1377146634 /nfs/dbraw/zinc/14/66/34/1377146634.db2.gz JBASPHQVYWIGLS-GHMZBOCLSA-N 1 2 326.378 3.362 20 30 EGEDLO N#Cc1ccccc1Oc1ccc(NC(=O)Cc2[nH]cc[nH+]2)cc1F ZINC001137036738 1377463091 /nfs/dbraw/zinc/46/30/91/1377463091.db2.gz DNZASOMULZMUPR-UHFFFAOYSA-N 1 2 336.326 3.394 20 30 EGEDLO N#Cc1ccc(C[NH+](Cc2ccc(C#N)cc2)Cc2cncnc2)cc1 ZINC001137671592 1377587297 /nfs/dbraw/zinc/58/72/97/1377587297.db2.gz SMPFHOKOHWZBAQ-UHFFFAOYSA-N 1 2 339.402 3.422 20 30 EGEDLO COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(C#N)c1 ZINC001137704490 1377598676 /nfs/dbraw/zinc/59/86/76/1377598676.db2.gz IIMSCEVRPSFJAI-MRXNPFEDSA-N 1 2 345.443 3.008 20 30 EGEDLO COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(C#N)c1 ZINC001137704490 1377598678 /nfs/dbraw/zinc/59/86/78/1377598678.db2.gz IIMSCEVRPSFJAI-MRXNPFEDSA-N 1 2 345.443 3.008 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)C[C@@H](C)SC)CC1 ZINC001270225535 1377600829 /nfs/dbraw/zinc/60/08/29/1377600829.db2.gz KAKUZYWRPCYDAR-GFCCVEGCSA-N 1 2 349.338 3.007 20 30 EGEDLO N#CCC[N@H+](Cc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC001138494645 1377733183 /nfs/dbraw/zinc/73/31/83/1377733183.db2.gz CZARVYDHBMLXGP-UHFFFAOYSA-N 1 2 335.451 3.439 20 30 EGEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC001138494645 1377733187 /nfs/dbraw/zinc/73/31/87/1377733187.db2.gz CZARVYDHBMLXGP-UHFFFAOYSA-N 1 2 335.451 3.439 20 30 EGEDLO CCOc1ccc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)c(OCC)c1 ZINC001138981764 1377812666 /nfs/dbraw/zinc/81/26/66/1377812666.db2.gz WFIXPAKOZVMQKW-KRWDZBQOSA-N 1 2 333.453 3.258 20 30 EGEDLO CCOc1ccc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)c(OCC)c1 ZINC001138981764 1377812667 /nfs/dbraw/zinc/81/26/67/1377812667.db2.gz WFIXPAKOZVMQKW-KRWDZBQOSA-N 1 2 333.453 3.258 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(OC)c2)C1 ZINC001139616889 1377919168 /nfs/dbraw/zinc/91/91/68/1377919168.db2.gz SAHXYRAXZZKQET-AWEZNQCLSA-N 1 2 338.835 3.225 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)c(OC)c2)C1 ZINC001139616889 1377919171 /nfs/dbraw/zinc/91/91/71/1377919171.db2.gz SAHXYRAXZZKQET-AWEZNQCLSA-N 1 2 338.835 3.225 20 30 EGEDLO C=CCOC(=O)N1CC[NH+](Cc2ccc(OC)c(C(C)C)c2)CC1 ZINC001139624680 1377920909 /nfs/dbraw/zinc/92/09/09/1377920909.db2.gz RYVOYYDDWJEMFI-UHFFFAOYSA-N 1 2 332.444 3.259 20 30 EGEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001139690634 1377935152 /nfs/dbraw/zinc/93/51/52/1377935152.db2.gz FIUDKHUAUWEVQD-VQIMIIECSA-N 1 2 346.858 3.372 20 30 EGEDLO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001139690634 1377935153 /nfs/dbraw/zinc/93/51/53/1377935153.db2.gz FIUDKHUAUWEVQD-VQIMIIECSA-N 1 2 346.858 3.372 20 30 EGEDLO N#Cc1cccc2c(C[N@@H+]3CCN4CCc5ccccc5[C@@H]4C3)c[nH]c21 ZINC001139706584 1377938221 /nfs/dbraw/zinc/93/82/21/1377938221.db2.gz ZELQMOZFNJXXMF-NRFANRHFSA-N 1 2 342.446 3.455 20 30 EGEDLO N#Cc1cccc2c(C[N@H+]3CCN4CCc5ccccc5[C@@H]4C3)c[nH]c21 ZINC001139706584 1377938222 /nfs/dbraw/zinc/93/82/22/1377938222.db2.gz ZELQMOZFNJXXMF-NRFANRHFSA-N 1 2 342.446 3.455 20 30 EGEDLO Cc1ccc(C[N@@H+]2CC[C@@](F)(CNC(=O)OC(C)(C)C)C2)cc1C#N ZINC001139727293 1377942658 /nfs/dbraw/zinc/94/26/58/1377942658.db2.gz MLOHLMVSHWMONE-LJQANCHMSA-N 1 2 347.434 3.305 20 30 EGEDLO Cc1ccc(C[N@H+]2CC[C@@](F)(CNC(=O)OC(C)(C)C)C2)cc1C#N ZINC001139727293 1377942660 /nfs/dbraw/zinc/94/26/60/1377942660.db2.gz MLOHLMVSHWMONE-LJQANCHMSA-N 1 2 347.434 3.305 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3cc(F)cc(C#N)c3)C[C@@H]21 ZINC001139877219 1377970081 /nfs/dbraw/zinc/97/00/81/1377970081.db2.gz BIDMPFBBNSFRPK-RDJZCZTQSA-N 1 2 345.418 3.139 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3cc(F)cc(C#N)c3)C[C@@H]21 ZINC001139877219 1377970082 /nfs/dbraw/zinc/97/00/82/1377970082.db2.gz BIDMPFBBNSFRPK-RDJZCZTQSA-N 1 2 345.418 3.139 20 30 EGEDLO N#Cc1cc(F)cc(C[N@@H+]2CC[C@@H](n3cc(Br)cn3)C2)c1 ZINC001139880062 1377970389 /nfs/dbraw/zinc/97/03/89/1377970389.db2.gz WZMXARQZBKEQDN-OAHLLOKOSA-N 1 2 349.207 3.103 20 30 EGEDLO N#Cc1cc(F)cc(C[N@H+]2CC[C@@H](n3cc(Br)cn3)C2)c1 ZINC001139880062 1377970391 /nfs/dbraw/zinc/97/03/91/1377970391.db2.gz WZMXARQZBKEQDN-OAHLLOKOSA-N 1 2 349.207 3.103 20 30 EGEDLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001140136311 1378017924 /nfs/dbraw/zinc/01/79/24/1378017924.db2.gz UXJDMWLWJFVNRH-AWEZNQCLSA-N 1 2 347.434 3.386 20 30 EGEDLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001140136311 1378017926 /nfs/dbraw/zinc/01/79/26/1378017926.db2.gz UXJDMWLWJFVNRH-AWEZNQCLSA-N 1 2 347.434 3.386 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@@H]3COC[C@H](C2)[N@@H+]3C[C@H](CC)CCCC)C1 ZINC001273133788 1378088731 /nfs/dbraw/zinc/08/87/31/1378088731.db2.gz GDDGGHCKTHBVRW-QRVBRYPASA-N 1 2 348.531 3.471 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@@H]3COC[C@H](C2)[N@H+]3C[C@H](CC)CCCC)C1 ZINC001273133788 1378088732 /nfs/dbraw/zinc/08/87/32/1378088732.db2.gz GDDGGHCKTHBVRW-QRVBRYPASA-N 1 2 348.531 3.471 20 30 EGEDLO N#Cc1ccc(Cl)c(C[NH+]2CC3(CN(c4ccccc4)C3=O)C2)c1 ZINC001140601345 1378095995 /nfs/dbraw/zinc/09/59/95/1378095995.db2.gz OCTOOAMLIOODRD-UHFFFAOYSA-N 1 2 337.810 3.060 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(Cl)ncc1F)C2 ZINC001140607766 1378097014 /nfs/dbraw/zinc/09/70/14/1378097014.db2.gz VNZJXBLNYFIFBT-RHSMWYFYSA-N 1 2 340.826 3.200 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(Cl)ncc1F)C2 ZINC001140607766 1378097019 /nfs/dbraw/zinc/09/70/19/1378097019.db2.gz VNZJXBLNYFIFBT-RHSMWYFYSA-N 1 2 340.826 3.200 20 30 EGEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2cc3cccnc3cc2F)CC1 ZINC001141634814 1378355179 /nfs/dbraw/zinc/35/51/79/1378355179.db2.gz SFEYCDZJHRMXOP-UHFFFAOYSA-N 1 2 341.386 3.043 20 30 EGEDLO Cc1nc2c(o1)CC[N@H+](Cc1cc(Br)ccc1C#N)C2 ZINC001141907934 1378393117 /nfs/dbraw/zinc/39/31/17/1378393117.db2.gz UKOWRUIKPZSBIC-UHFFFAOYSA-N 1 2 332.201 3.176 20 30 EGEDLO Cc1nc2c(o1)CC[N@@H+](Cc1cc(Br)ccc1C#N)C2 ZINC001141907934 1378393119 /nfs/dbraw/zinc/39/31/19/1378393119.db2.gz UKOWRUIKPZSBIC-UHFFFAOYSA-N 1 2 332.201 3.176 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(F)ccc(C#N)c1F)C2 ZINC001143170988 1378553654 /nfs/dbraw/zinc/55/36/54/1378553654.db2.gz NRXZGSFSKIQTTP-DNVCBOLYSA-N 1 2 348.393 3.163 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c(F)ccc(C#N)c1F)C2 ZINC001143170988 1378553656 /nfs/dbraw/zinc/55/36/56/1378553656.db2.gz NRXZGSFSKIQTTP-DNVCBOLYSA-N 1 2 348.393 3.163 20 30 EGEDLO COc1cc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)ccc1C(F)(F)F ZINC001143343189 1378583730 /nfs/dbraw/zinc/58/37/30/1378583730.db2.gz IIIALAWIDZMPPW-AWEZNQCLSA-N 1 2 343.370 3.488 20 30 EGEDLO COc1cc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)ccc1C(F)(F)F ZINC001143343189 1378583733 /nfs/dbraw/zinc/58/37/33/1378583733.db2.gz IIIALAWIDZMPPW-AWEZNQCLSA-N 1 2 343.370 3.488 20 30 EGEDLO COc1cc(O[C@H]2CC[N@H+](Cc3c(Cl)cccc3C#N)C2)ccn1 ZINC001143731938 1378639248 /nfs/dbraw/zinc/63/92/48/1378639248.db2.gz ISTKPXIREAXUKG-HNNXBMFYSA-N 1 2 343.814 3.269 20 30 EGEDLO COc1cc(O[C@H]2CC[N@@H+](Cc3c(Cl)cccc3C#N)C2)ccn1 ZINC001143731938 1378639250 /nfs/dbraw/zinc/63/92/50/1378639250.db2.gz ISTKPXIREAXUKG-HNNXBMFYSA-N 1 2 343.814 3.269 20 30 EGEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC(N2CCCOC2=O)CC1 ZINC001143731872 1378639298 /nfs/dbraw/zinc/63/92/98/1378639298.db2.gz FXGFWZAHEFFEDD-UHFFFAOYSA-N 1 2 333.819 3.018 20 30 EGEDLO Cc1cc(NC(=O)c2cc(C#N)cc(N(C)C)c2)ccc1-n1cc[nH+]c1 ZINC001143940399 1378662750 /nfs/dbraw/zinc/66/27/50/1378662750.db2.gz YPFMFJIQHFRFOL-UHFFFAOYSA-N 1 2 345.406 3.371 20 30 EGEDLO C#Cc1ccc(C[N@@H+]2Cc3nn(CC4CC4)cc3[C@@H](COC)C2)cc1 ZINC001144569424 1378745792 /nfs/dbraw/zinc/74/57/92/1378745792.db2.gz RDDLJUJRLHBWJL-LJQANCHMSA-N 1 2 335.451 3.020 20 30 EGEDLO C#Cc1ccc(C[N@H+]2Cc3nn(CC4CC4)cc3[C@@H](COC)C2)cc1 ZINC001144569424 1378745794 /nfs/dbraw/zinc/74/57/94/1378745794.db2.gz RDDLJUJRLHBWJL-LJQANCHMSA-N 1 2 335.451 3.020 20 30 EGEDLO C=CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001148193746 1379131440 /nfs/dbraw/zinc/13/14/40/1379131440.db2.gz HGNWFAXSQZGXJX-UHFFFAOYSA-N 1 2 349.456 3.047 20 30 EGEDLO C=CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001148193746 1379131441 /nfs/dbraw/zinc/13/14/41/1379131441.db2.gz HGNWFAXSQZGXJX-UHFFFAOYSA-N 1 2 349.456 3.047 20 30 EGEDLO C=CCCC1(C(=O)N2CC3(C2)CC[N@@H+](Cc2csc(C)n2)C3)CC1 ZINC001148221135 1379135453 /nfs/dbraw/zinc/13/54/53/1379135453.db2.gz SJXVRNJJYHSREJ-UHFFFAOYSA-N 1 2 345.512 3.232 20 30 EGEDLO C=CCCC1(C(=O)N2CC3(C2)CC[N@H+](Cc2csc(C)n2)C3)CC1 ZINC001148221135 1379135456 /nfs/dbraw/zinc/13/54/56/1379135456.db2.gz SJXVRNJJYHSREJ-UHFFFAOYSA-N 1 2 345.512 3.232 20 30 EGEDLO C=CCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1nc(-c2cccs2)no1 ZINC001152313795 1379906037 /nfs/dbraw/zinc/90/60/37/1379906037.db2.gz SWNORUOUDYDRPJ-CYBMUJFWSA-N 1 2 348.472 3.091 20 30 EGEDLO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc(-c2cccs2)no1 ZINC001152313795 1379906043 /nfs/dbraw/zinc/90/60/43/1379906043.db2.gz SWNORUOUDYDRPJ-CYBMUJFWSA-N 1 2 348.472 3.091 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1cc(C)c(C)o1 ZINC001152763351 1379979448 /nfs/dbraw/zinc/97/94/48/1379979448.db2.gz LDAFZJIICKWTCM-GFCCVEGCSA-N 1 2 343.265 3.245 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1cc(C)c(C)o1 ZINC001152763351 1379979449 /nfs/dbraw/zinc/97/94/49/1379979449.db2.gz LDAFZJIICKWTCM-GFCCVEGCSA-N 1 2 343.265 3.245 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C(C)(C)C)o1 ZINC001152842133 1379985895 /nfs/dbraw/zinc/98/58/95/1379985895.db2.gz ORBGVWVTBCNYEA-MRXNPFEDSA-N 1 2 347.503 3.492 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C(C)(C)C)o1 ZINC001152842133 1379985896 /nfs/dbraw/zinc/98/58/96/1379985896.db2.gz ORBGVWVTBCNYEA-MRXNPFEDSA-N 1 2 347.503 3.492 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(CC)o1 ZINC001153588054 1380099003 /nfs/dbraw/zinc/09/90/03/1380099003.db2.gz KUSOCIWNUXJXCP-GFCCVEGCSA-N 1 2 341.883 3.342 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(CC)o1 ZINC001153588054 1380099004 /nfs/dbraw/zinc/09/90/04/1380099004.db2.gz KUSOCIWNUXJXCP-GFCCVEGCSA-N 1 2 341.883 3.342 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1nocc1C ZINC001153587999 1380099071 /nfs/dbraw/zinc/09/90/71/1380099071.db2.gz ICFUIXWAEROKJI-GFCCVEGCSA-N 1 2 327.856 3.088 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nocc1C ZINC001153587999 1380099073 /nfs/dbraw/zinc/09/90/73/1380099073.db2.gz ICFUIXWAEROKJI-GFCCVEGCSA-N 1 2 327.856 3.088 20 30 EGEDLO C=CCC[C@@H](C(=O)NCC[NH2+][C@H](C)c1csnn1)c1ccccc1 ZINC001153824209 1380137250 /nfs/dbraw/zinc/13/72/50/1380137250.db2.gz ACQORRLTKQSIJS-GDBMZVCRSA-N 1 2 344.484 3.055 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@@H](C)[N@H+](CC)CC=C(Cl)Cl ZINC001153831186 1380139625 /nfs/dbraw/zinc/13/96/25/1380139625.db2.gz ZZSKBPVXKLKTSP-CYBMUJFWSA-N 1 2 344.286 3.433 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@@H](C)[N@@H+](CC)CC=C(Cl)Cl ZINC001153831186 1380139628 /nfs/dbraw/zinc/13/96/28/1380139628.db2.gz ZZSKBPVXKLKTSP-CYBMUJFWSA-N 1 2 344.286 3.433 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C1(C)CCCC1 ZINC001154516136 1380295118 /nfs/dbraw/zinc/29/51/18/1380295118.db2.gz UDIVVMAIFYJBMD-CYBMUJFWSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C1(C)CCCC1 ZINC001154516136 1380295123 /nfs/dbraw/zinc/29/51/23/1380295123.db2.gz UDIVVMAIFYJBMD-CYBMUJFWSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C2CC2)o1 ZINC001154584485 1380310711 /nfs/dbraw/zinc/31/07/11/1380310711.db2.gz JRFKAQUOSSXRBU-CQSZACIVSA-N 1 2 333.476 3.481 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C2CC2)o1 ZINC001154584485 1380310712 /nfs/dbraw/zinc/31/07/12/1380310712.db2.gz JRFKAQUOSSXRBU-CQSZACIVSA-N 1 2 333.476 3.481 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C1(C)CCC1 ZINC001154632162 1380321174 /nfs/dbraw/zinc/32/11/74/1380321174.db2.gz VMYIDTHRWUIUDT-CQSZACIVSA-N 1 2 331.435 3.214 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C1(C)CCC1 ZINC001154632162 1380321176 /nfs/dbraw/zinc/32/11/76/1380321176.db2.gz VMYIDTHRWUIUDT-CQSZACIVSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C2CC2)o1 ZINC001154751113 1380345982 /nfs/dbraw/zinc/34/59/82/1380345982.db2.gz NPHRMONPCYFHRS-CABCVRRESA-N 1 2 333.476 3.481 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C2CC2)o1 ZINC001154751113 1380345986 /nfs/dbraw/zinc/34/59/86/1380345986.db2.gz NPHRMONPCYFHRS-CABCVRRESA-N 1 2 333.476 3.481 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(Cl)n1C ZINC001155067194 1380402367 /nfs/dbraw/zinc/40/23/67/1380402367.db2.gz VAOYEVYCXANHPK-CXAGYDPISA-N 1 2 340.899 3.002 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(Cl)n1C ZINC001155067194 1380402369 /nfs/dbraw/zinc/40/23/69/1380402369.db2.gz VAOYEVYCXANHPK-CXAGYDPISA-N 1 2 340.899 3.002 20 30 EGEDLO C=CC1(CC(=O)NC[C@@H](C)[N@H+](CC)Cc2ncccn2)CCCCC1 ZINC001155788614 1380492462 /nfs/dbraw/zinc/49/24/62/1380492462.db2.gz HNTSFHBNWLIQIU-QGZVFWFLSA-N 1 2 344.503 3.330 20 30 EGEDLO C=CC1(CC(=O)NC[C@@H](C)[N@@H+](CC)Cc2ncccn2)CCCCC1 ZINC001155788614 1380492463 /nfs/dbraw/zinc/49/24/63/1380492463.db2.gz HNTSFHBNWLIQIU-QGZVFWFLSA-N 1 2 344.503 3.330 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC12CCCC2 ZINC001156201102 1380541650 /nfs/dbraw/zinc/54/16/50/1380541650.db2.gz VEBSSTUNABROGA-KGLIPLIRSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC12CCCC2 ZINC001156201102 1380541653 /nfs/dbraw/zinc/54/16/53/1380541653.db2.gz VEBSSTUNABROGA-KGLIPLIRSA-N 1 2 343.309 3.302 20 30 EGEDLO N#Cc1ccc2cc[nH+]c(N3Cc4cnn(C5CCOCC5)c4C3)c2c1 ZINC001156742366 1380623545 /nfs/dbraw/zinc/62/35/45/1380623545.db2.gz WFLYUKWEUOUOGU-UHFFFAOYSA-N 1 2 345.406 3.175 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C[C@@H](C)C1CC1 ZINC001157145838 1380786286 /nfs/dbraw/zinc/78/62/86/1380786286.db2.gz KCQGMPGQZKFKOL-HUUCEWRRSA-N 1 2 345.462 3.460 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C[C@@H](C)C1CC1 ZINC001157145838 1380786288 /nfs/dbraw/zinc/78/62/88/1380786288.db2.gz KCQGMPGQZKFKOL-HUUCEWRRSA-N 1 2 345.462 3.460 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC001158011729 1381102522 /nfs/dbraw/zinc/10/25/22/1381102522.db2.gz MSEXURZTEUFBFS-GOEBONIOSA-N 1 2 334.464 3.108 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC001158011729 1381102526 /nfs/dbraw/zinc/10/25/26/1381102526.db2.gz MSEXURZTEUFBFS-GOEBONIOSA-N 1 2 334.464 3.108 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1snnc1C ZINC001158018537 1381104626 /nfs/dbraw/zinc/10/46/26/1381104626.db2.gz ACIASRSXERDWFL-OAHLLOKOSA-N 1 2 336.505 3.016 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1snnc1C ZINC001158018537 1381104630 /nfs/dbraw/zinc/10/46/30/1381104630.db2.gz ACIASRSXERDWFL-OAHLLOKOSA-N 1 2 336.505 3.016 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(C)cn1 ZINC001158369191 1381219726 /nfs/dbraw/zinc/21/97/26/1381219726.db2.gz DHQMNIPKDWNQBN-ZWKOTPCHSA-N 1 2 344.503 3.200 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(C)cn1 ZINC001158369191 1381219733 /nfs/dbraw/zinc/21/97/33/1381219733.db2.gz DHQMNIPKDWNQBN-ZWKOTPCHSA-N 1 2 344.503 3.200 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC12CC2 ZINC001158529870 1381284313 /nfs/dbraw/zinc/28/43/13/1381284313.db2.gz RDIRMBTWAPVTTN-KGLIPLIRSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC12CC2 ZINC001158529870 1381284321 /nfs/dbraw/zinc/28/43/21/1381284321.db2.gz RDIRMBTWAPVTTN-KGLIPLIRSA-N 1 2 341.293 3.008 20 30 EGEDLO N#Cc1cc(F)c(Cl)nc1N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001158625891 1381328944 /nfs/dbraw/zinc/32/89/44/1381328944.db2.gz VOYFOVNOSWTKAY-GFCCVEGCSA-N 1 2 344.768 3.056 20 30 EGEDLO CCOC(=O)c1cc2cc[nH+]c(NCc3ccc(C#N)c(F)c3)c2[nH]1 ZINC001159084215 1381569942 /nfs/dbraw/zinc/56/99/42/1381569942.db2.gz DRXLBSXVHWTSFB-UHFFFAOYSA-N 1 2 338.342 3.362 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)/C(C)=C\CC)CC1 ZINC001159488248 1381806009 /nfs/dbraw/zinc/80/60/09/1381806009.db2.gz MJFRCLXXTNUBSH-ACAGNQJTSA-N 1 2 341.293 3.390 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)/C(C)=C\CC)CC1 ZINC001159488248 1381806006 /nfs/dbraw/zinc/80/60/06/1381806006.db2.gz MJFRCLXXTNUBSH-ACAGNQJTSA-N 1 2 341.293 3.390 20 30 EGEDLO C=CCCC(=O)NCCC1=CC[N@H+]([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC001159538675 1381821867 /nfs/dbraw/zinc/82/18/67/1381821867.db2.gz GUTLHLLMCCXVPE-AWEZNQCLSA-N 1 2 344.459 3.113 20 30 EGEDLO C=CCCC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC001159538675 1381821870 /nfs/dbraw/zinc/82/18/70/1381821870.db2.gz GUTLHLLMCCXVPE-AWEZNQCLSA-N 1 2 344.459 3.113 20 30 EGEDLO N#Cc1cccc2c1CC[C@H]2Nc1cc(N2CCSCC2)nc[nH+]1 ZINC001159919171 1381936498 /nfs/dbraw/zinc/93/64/98/1381936498.db2.gz UAGHXVUCMFUGNC-MRXNPFEDSA-N 1 2 337.452 3.001 20 30 EGEDLO N#Cc1cccc2c1CC[C@H]2Nc1cc(N2CCSCC2)[nH+]cn1 ZINC001159919171 1381936503 /nfs/dbraw/zinc/93/65/03/1381936503.db2.gz UAGHXVUCMFUGNC-MRXNPFEDSA-N 1 2 337.452 3.001 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@H+](Cc2ncc(C)cn2)CC1 ZINC001160856748 1382217285 /nfs/dbraw/zinc/21/72/85/1382217285.db2.gz OWHWHVXUXSKYHL-UHFFFAOYSA-N 1 2 342.487 3.026 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2ncc(C)cn2)CC1 ZINC001160856748 1382217288 /nfs/dbraw/zinc/21/72/88/1382217288.db2.gz OWHWHVXUXSKYHL-UHFFFAOYSA-N 1 2 342.487 3.026 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@H+]([C@H](C)c2nnc(C)o2)CC1 ZINC001160861621 1382219187 /nfs/dbraw/zinc/21/91/87/1382219187.db2.gz VCAZEDHODMQZIB-CQSZACIVSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@@H+]([C@H](C)c2nnc(C)o2)CC1 ZINC001160861621 1382219190 /nfs/dbraw/zinc/21/91/90/1382219190.db2.gz VCAZEDHODMQZIB-CQSZACIVSA-N 1 2 346.475 3.180 20 30 EGEDLO C#CCCN1CCC[C@@H](Nc2cc(C3CCCCC3)[nH+]c(C)n2)C1=O ZINC001160900179 1382228444 /nfs/dbraw/zinc/22/84/44/1382228444.db2.gz WWSPJRJNCDMNOF-QGZVFWFLSA-N 1 2 340.471 3.259 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@H+](Cc2nccn2CC)CC1 ZINC001161116413 1382304150 /nfs/dbraw/zinc/30/41/50/1382304150.db2.gz IDTGDIWQVHEVHL-FQEVSTJZSA-N 1 2 344.503 3.144 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@@H+](Cc2nccn2CC)CC1 ZINC001161116413 1382304152 /nfs/dbraw/zinc/30/41/52/1382304152.db2.gz IDTGDIWQVHEVHL-FQEVSTJZSA-N 1 2 344.503 3.144 20 30 EGEDLO C=CCCC1(C(=O)NCCC2=CC[N@H+](Cc3coc(C)n3)CC2)CC1 ZINC001161116525 1382304658 /nfs/dbraw/zinc/30/46/58/1382304658.db2.gz KUZRTJLCDANYGW-UHFFFAOYSA-N 1 2 343.471 3.368 20 30 EGEDLO C=CCCC1(C(=O)NCCC2=CC[N@@H+](Cc3coc(C)n3)CC2)CC1 ZINC001161116525 1382304661 /nfs/dbraw/zinc/30/46/61/1382304661.db2.gz KUZRTJLCDANYGW-UHFFFAOYSA-N 1 2 343.471 3.368 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@H+](Cc2ccn(CC)n2)CC1 ZINC001161116747 1382305632 /nfs/dbraw/zinc/30/56/32/1382305632.db2.gz QSCKVJKBJDNWHR-FQEVSTJZSA-N 1 2 344.503 3.144 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@@H+](Cc2ccn(CC)n2)CC1 ZINC001161116747 1382305637 /nfs/dbraw/zinc/30/56/37/1382305637.db2.gz QSCKVJKBJDNWHR-FQEVSTJZSA-N 1 2 344.503 3.144 20 30 EGEDLO C=CCC1(C(=O)NCCC2=CC[N@H+](Cc3ccon3)CC2)CCC1 ZINC001161126003 1382309945 /nfs/dbraw/zinc/30/99/45/1382309945.db2.gz LFAYZEVTJDQXBQ-UHFFFAOYSA-N 1 2 329.444 3.059 20 30 EGEDLO C=CCC1(C(=O)NCCC2=CC[N@@H+](Cc3ccon3)CC2)CCC1 ZINC001161126003 1382309949 /nfs/dbraw/zinc/30/99/49/1382309949.db2.gz LFAYZEVTJDQXBQ-UHFFFAOYSA-N 1 2 329.444 3.059 20 30 EGEDLO C=C1CC(C)(C(=O)NCCC2=CC[N@H+](Cc3ncc(CC)o3)CC2)C1 ZINC001161178599 1382327678 /nfs/dbraw/zinc/32/76/78/1382327678.db2.gz WEHAPEMGDGBHIQ-UHFFFAOYSA-N 1 2 343.471 3.232 20 30 EGEDLO C=C1CC(C)(C(=O)NCCC2=CC[N@@H+](Cc3ncc(CC)o3)CC2)C1 ZINC001161178599 1382327683 /nfs/dbraw/zinc/32/76/83/1382327683.db2.gz WEHAPEMGDGBHIQ-UHFFFAOYSA-N 1 2 343.471 3.232 20 30 EGEDLO CSc1nc(Cl)c(/C=N/O)c(NCc2c[nH+]cn2C(C)C)n1 ZINC001161563275 1382440432 /nfs/dbraw/zinc/44/04/32/1382440432.db2.gz WZZSUWSRPZYPFX-UBKPWBPPSA-N 1 2 340.840 3.050 20 30 EGEDLO N#Cc1ccc(C(F)(F)NCc2ccc3[nH+]ccn3c2)nc1Cl ZINC001163136785 1382974477 /nfs/dbraw/zinc/97/44/77/1382974477.db2.gz PDIMCIGMOSBRCV-UHFFFAOYSA-N 1 2 333.729 3.093 20 30 EGEDLO CN(CC#N)c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC001165094953 1383227796 /nfs/dbraw/zinc/22/77/96/1383227796.db2.gz LHIUKKZNDLITOB-UHFFFAOYSA-N 1 2 337.452 3.380 20 30 EGEDLO N#Cc1ccc(N2CCCN(c3[nH+]ccc4ccccc43)CC2)nc1 ZINC001166840939 1383485913 /nfs/dbraw/zinc/48/59/13/1383485913.db2.gz VRSPCSNXTKDRRD-UHFFFAOYSA-N 1 2 329.407 3.218 20 30 EGEDLO C=CCc1ccc(NC(=O)C(C)(C)C)c(NCc2cc[nH+]c(N)c2)n1 ZINC001167614497 1383689856 /nfs/dbraw/zinc/68/98/56/1383689856.db2.gz SQAXLPZXVOONIU-UHFFFAOYSA-N 1 2 339.443 3.384 20 30 EGEDLO COCOc1cnc(NC2=CC(=O)CC(C)(C)C2)cc1C=C[NH+](C)C ZINC001169947349 1384202091 /nfs/dbraw/zinc/20/20/91/1384202091.db2.gz YNSDONVXMVFZAY-VOTSOKGWSA-N 1 2 345.443 3.282 20 30 EGEDLO COC(=O)c1ccc(C(=[NH2+])Nc2cnc(OC)c3ccccc23)cc1 ZINC001170984752 1384423847 /nfs/dbraw/zinc/42/38/47/1384423847.db2.gz FWOMUIZSNSHEKI-UHFFFAOYSA-N 1 2 335.363 3.067 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)COc2ccc(C)c(C)c2)C1 ZINC001316950645 1384724496 /nfs/dbraw/zinc/72/44/96/1384724496.db2.gz CHLVMPWSYSTOHH-INIZCTEOSA-N 1 2 336.863 3.015 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)COc2ccc(C)c(C)c2)C1 ZINC001316950645 1384724500 /nfs/dbraw/zinc/72/45/00/1384724500.db2.gz CHLVMPWSYSTOHH-INIZCTEOSA-N 1 2 336.863 3.015 20 30 EGEDLO C=CCOC1CCC([NH2+][C@H](Cc2cccc(F)c2)C(=O)OC)CC1 ZINC001173318033 1384956982 /nfs/dbraw/zinc/95/69/82/1384956982.db2.gz NZRSEXHUPKVKRA-DAWZGUTISA-N 1 2 335.419 3.013 20 30 EGEDLO C=CCOC(=O)[C@@H]([NH2+][C@H](C)Cc1ccc(C(=O)OC)cc1)[C@@H](C)CC ZINC001173713646 1385007418 /nfs/dbraw/zinc/00/74/18/1385007418.db2.gz GTMYHXOFDLBBRG-DAYGRLMNSA-N 1 2 347.455 3.138 20 30 EGEDLO CN(C)c1ccc(Nc2c(C#N)c(CC#N)nn2-c2ccccc2)c[nH+]1 ZINC001175342477 1385258698 /nfs/dbraw/zinc/25/86/98/1385258698.db2.gz QISPMNQIVSIPAC-UHFFFAOYSA-N 1 2 343.394 3.015 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)C1(Cc2ccccc2)CC1)C1CC1 ZINC001317551411 1385310215 /nfs/dbraw/zinc/31/02/15/1385310215.db2.gz GIUJKBPCBJAFJY-UHFFFAOYSA-N 1 2 332.875 3.342 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)C1(Cc2ccccc2)CC1)C1CC1 ZINC001317551411 1385310222 /nfs/dbraw/zinc/31/02/22/1385310222.db2.gz GIUJKBPCBJAFJY-UHFFFAOYSA-N 1 2 332.875 3.342 20 30 EGEDLO CC(C)(CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1)C1CC1 ZINC001317969328 1385591877 /nfs/dbraw/zinc/59/18/77/1385591877.db2.gz ULQGYHXNPJVITI-IBGZPJMESA-N 1 2 339.483 3.465 20 30 EGEDLO CC(C)(CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1)C1CC1 ZINC001317969328 1385591880 /nfs/dbraw/zinc/59/18/80/1385591880.db2.gz ULQGYHXNPJVITI-IBGZPJMESA-N 1 2 339.483 3.465 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H]3OCC[N@@H+](CC=C(C)C)[C@@H]3C2)CC1 ZINC001177102537 1385814040 /nfs/dbraw/zinc/81/40/40/1385814040.db2.gz XKRIIMGWDUDFED-MSOLQXFVSA-N 1 2 332.488 3.001 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H]3OCC[N@H+](CC=C(C)C)[C@@H]3C2)CC1 ZINC001177102537 1385814048 /nfs/dbraw/zinc/81/40/48/1385814048.db2.gz XKRIIMGWDUDFED-MSOLQXFVSA-N 1 2 332.488 3.001 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]([NH2+]Cc2nnc(C(C)(C)C)o2)[C@@H]1C ZINC001179389085 1386472216 /nfs/dbraw/zinc/47/22/16/1386472216.db2.gz YCTBBKNWSGQXGH-KKUMJFAQSA-N 1 2 348.491 3.048 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([NH2+]Cc2nnc(C(C)(C)C)o2)[C@@H]1C ZINC001179389087 1386472410 /nfs/dbraw/zinc/47/24/10/1386472410.db2.gz YCTBBKNWSGQXGH-ZNMIVQPWSA-N 1 2 348.491 3.048 20 30 EGEDLO CC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccccc1F ZINC001322121147 1387063880 /nfs/dbraw/zinc/06/38/80/1387063880.db2.gz QLFYZZJVAGGURA-UHFFFAOYSA-N 1 2 331.435 3.332 20 30 EGEDLO CC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccccc1F ZINC001322121147 1387063883 /nfs/dbraw/zinc/06/38/83/1387063883.db2.gz QLFYZZJVAGGURA-UHFFFAOYSA-N 1 2 331.435 3.332 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C1(c2cccnc2)CCCC1 ZINC001322230883 1387111961 /nfs/dbraw/zinc/11/19/61/1387111961.db2.gz OSMXUIJZYMRLHW-HNNXBMFYSA-N 1 2 335.879 3.082 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C1(c2cccnc2)CCCC1 ZINC001322230883 1387111963 /nfs/dbraw/zinc/11/19/63/1387111963.db2.gz OSMXUIJZYMRLHW-HNNXBMFYSA-N 1 2 335.879 3.082 20 30 EGEDLO CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](F)C[C@H]1C#N)c1ccccc1Cl ZINC001182220163 1387123650 /nfs/dbraw/zinc/12/36/50/1387123650.db2.gz JNLBXCQQYCERPF-HEHGZKQESA-N 1 2 337.826 3.185 20 30 EGEDLO C=CCN1CCN(C(=O)[C@@H](c2ccccc2Cl)[NH+](CC)CC)CC1 ZINC001182225782 1387125549 /nfs/dbraw/zinc/12/55/49/1387125549.db2.gz PLMDCLJJKGPNGK-GOSISDBHSA-N 1 2 349.906 3.053 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCc1cccc(F)c1F ZINC001322311397 1387154679 /nfs/dbraw/zinc/15/46/79/1387154679.db2.gz BFAKEYLURDZEOZ-GFCCVEGCSA-N 1 2 330.806 3.086 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCc1cccc(F)c1F ZINC001322311397 1387154681 /nfs/dbraw/zinc/15/46/81/1387154681.db2.gz BFAKEYLURDZEOZ-GFCCVEGCSA-N 1 2 330.806 3.086 20 30 EGEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)CCCF ZINC001339774130 1390139260 /nfs/dbraw/zinc/13/92/60/1390139260.db2.gz JWZHFVFMGHYQIA-MRXNPFEDSA-N 1 2 345.466 3.453 20 30 EGEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)CCCF ZINC001339774130 1390139262 /nfs/dbraw/zinc/13/92/62/1390139262.db2.gz JWZHFVFMGHYQIA-MRXNPFEDSA-N 1 2 345.466 3.453 20 30 EGEDLO C=CC[C@@H]1CCCN(c2nnc([C@H]3CCCC[N@H+]3C)n2CC=C)C1 ZINC001340390405 1390281853 /nfs/dbraw/zinc/28/18/53/1390281853.db2.gz OEXYWRCEQIQCHG-IAGOWNOFSA-N 1 2 329.492 3.413 20 30 EGEDLO C=CC[C@@H]1CCCN(c2nnc([C@H]3CCCC[N@@H+]3C)n2CC=C)C1 ZINC001340390405 1390281855 /nfs/dbraw/zinc/28/18/55/1390281855.db2.gz OEXYWRCEQIQCHG-IAGOWNOFSA-N 1 2 329.492 3.413 20 30 EGEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1c(Cl)nc2sccn21 ZINC001342255142 1390591700 /nfs/dbraw/zinc/59/17/00/1390591700.db2.gz OFGIWRCINYPTII-WAYWQWQTSA-N 1 2 332.816 3.406 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC[C@@H](OC(C)C)C1 ZINC001343458412 1390715452 /nfs/dbraw/zinc/71/54/52/1390715452.db2.gz XBFKYZXUVCNRGB-SJORKVTESA-N 1 2 347.507 3.015 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC[C@@H](OC(C)C)C1 ZINC001343458412 1390715453 /nfs/dbraw/zinc/71/54/53/1390715453.db2.gz XBFKYZXUVCNRGB-SJORKVTESA-N 1 2 347.507 3.015 20 30 EGEDLO CC(C)Cn1c(C[NH+]2CCCCC2)nnc1N(CCC#N)CC1CC1 ZINC001344354395 1390786216 /nfs/dbraw/zinc/78/62/16/1390786216.db2.gz OWNBSBFPMVCSND-UHFFFAOYSA-N 1 2 344.507 3.050 20 30 EGEDLO C=C(C)CN(CC)c1nnc([C@H]2CCC[N@@H+]2C)n1C[C@@H]1CCCCO1 ZINC001347054530 1390996975 /nfs/dbraw/zinc/99/69/75/1390996975.db2.gz JMZSGSIFZINYBE-DLBZAZTESA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)CN(CC)c1nnc([C@H]2CCC[N@H+]2C)n1C[C@@H]1CCCCO1 ZINC001347054530 1390996977 /nfs/dbraw/zinc/99/69/77/1390996977.db2.gz JMZSGSIFZINYBE-DLBZAZTESA-N 1 2 347.507 3.016 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC001481700971 1394460487 /nfs/dbraw/zinc/46/04/87/1394460487.db2.gz JGAVFLWKYZUQPE-CYBMUJFWSA-N 1 2 339.266 3.487 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC001481700971 1394460488 /nfs/dbraw/zinc/46/04/88/1394460488.db2.gz JGAVFLWKYZUQPE-CYBMUJFWSA-N 1 2 339.266 3.487 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C(C)(C)c2ccc(F)cc2)C1 ZINC001485532315 1396002141 /nfs/dbraw/zinc/00/21/41/1396002141.db2.gz GAEKPHHVHQSTCC-CYBMUJFWSA-N 1 2 338.854 3.292 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)CCCC(F)(F)F ZINC001690454576 1404582317 /nfs/dbraw/zinc/58/23/17/1404582317.db2.gz IFJOSAIWYHQHRV-GFCCVEGCSA-N 1 2 326.790 3.442 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCCC(F)(F)F ZINC001690454576 1404582320 /nfs/dbraw/zinc/58/23/20/1404582320.db2.gz IFJOSAIWYHQHRV-GFCCVEGCSA-N 1 2 326.790 3.442 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)Cn1ccc2ccccc21 ZINC001690459119 1404589605 /nfs/dbraw/zinc/58/96/05/1404589605.db2.gz LOJIWPTVAIVTLC-KRWDZBQOSA-N 1 2 345.874 3.365 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)Cn1ccc2ccccc21 ZINC001690459119 1404589608 /nfs/dbraw/zinc/58/96/08/1404589608.db2.gz LOJIWPTVAIVTLC-KRWDZBQOSA-N 1 2 345.874 3.365 20 30 EGEDLO CC[C@@H](C)CCC(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001692341986 1405961065 /nfs/dbraw/zinc/96/10/65/1405961065.db2.gz CLVMROXIJDAESQ-CQSZACIVSA-N 1 2 331.435 3.072 20 30 EGEDLO C[C@H](C#N)C(=O)NCC[N@H+](Cc1cc(Cl)ccc1Cl)C1CC1 ZINC001731874266 1428136129 /nfs/dbraw/zinc/13/61/29/1428136129.db2.gz LSZKJIQGZLQOCC-LLVKDONJSA-N 1 2 340.254 3.234 20 30 EGEDLO C[C@H](C#N)C(=O)NCC[N@@H+](Cc1cc(Cl)ccc1Cl)C1CC1 ZINC001731874266 1428136133 /nfs/dbraw/zinc/13/61/33/1428136133.db2.gz LSZKJIQGZLQOCC-LLVKDONJSA-N 1 2 340.254 3.234 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC001732154798 1428398116 /nfs/dbraw/zinc/39/81/16/1428398116.db2.gz UBFCKYWOPBTIHD-UKRRQHHQSA-N 1 2 336.863 3.338 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001732154798 1428398119 /nfs/dbraw/zinc/39/81/19/1428398119.db2.gz UBFCKYWOPBTIHD-UKRRQHHQSA-N 1 2 336.863 3.338 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)C(CC)CC)[C@H]1C ZINC001700882650 1414539394 /nfs/dbraw/zinc/53/93/94/1414539394.db2.gz ZXRBWBOQOUMYMY-TZMCWYRMSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)C(CC)CC)[C@H]1C ZINC001700882650 1414539397 /nfs/dbraw/zinc/53/93/97/1414539397.db2.gz ZXRBWBOQOUMYMY-TZMCWYRMSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001713489282 1418187305 /nfs/dbraw/zinc/18/73/05/1418187305.db2.gz ONZQIQAHMXEMCC-LSDHHAIUSA-N 1 2 342.817 3.259 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001713489282 1418187306 /nfs/dbraw/zinc/18/73/06/1418187306.db2.gz ONZQIQAHMXEMCC-LSDHHAIUSA-N 1 2 342.817 3.259 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001713790841 1418608221 /nfs/dbraw/zinc/60/82/21/1418608221.db2.gz KWPPBGDMTMXGTQ-HNNXBMFYSA-N 1 2 335.879 3.418 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001713790841 1418608223 /nfs/dbraw/zinc/60/82/23/1418608223.db2.gz KWPPBGDMTMXGTQ-HNNXBMFYSA-N 1 2 335.879 3.418 20 30 EGEDLO C[C@@H](CC(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F)c1ccco1 ZINC001714572857 1419306534 /nfs/dbraw/zinc/30/65/34/1419306534.db2.gz ZEZZWQHEFZOSHA-AWEZNQCLSA-N 1 2 343.402 3.032 20 30 EGEDLO C[C@@H](CC(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F)c1ccco1 ZINC001714572857 1419306538 /nfs/dbraw/zinc/30/65/38/1419306538.db2.gz ZEZZWQHEFZOSHA-AWEZNQCLSA-N 1 2 343.402 3.032 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c3ccccc23)C1 ZINC001715002494 1419732916 /nfs/dbraw/zinc/73/29/16/1419732916.db2.gz HRNZTHUTWKKTST-HNNXBMFYSA-N 1 2 331.847 3.044 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c3ccccc23)C1 ZINC001715002494 1419732919 /nfs/dbraw/zinc/73/29/19/1419732919.db2.gz HRNZTHUTWKKTST-HNNXBMFYSA-N 1 2 331.847 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(-c2ccccc2)no1 ZINC001716027937 1420485035 /nfs/dbraw/zinc/48/50/35/1420485035.db2.gz BOBOWKFLOZHAHZ-CYBMUJFWSA-N 1 2 333.819 3.144 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(-c2ccccc2)no1 ZINC001716027937 1420485037 /nfs/dbraw/zinc/48/50/37/1420485037.db2.gz BOBOWKFLOZHAHZ-CYBMUJFWSA-N 1 2 333.819 3.144 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1nsc2ccc(C)cc21 ZINC001716033825 1420492918 /nfs/dbraw/zinc/49/29/18/1420492918.db2.gz GXGNKRWBNMIWBK-LBPRGKRZSA-N 1 2 337.876 3.407 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1nsc2ccc(C)cc21 ZINC001716033825 1420492919 /nfs/dbraw/zinc/49/29/19/1420492919.db2.gz GXGNKRWBNMIWBK-LBPRGKRZSA-N 1 2 337.876 3.407 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1csc(C(C)(C)C)n1 ZINC001716046850 1420511025 /nfs/dbraw/zinc/51/10/25/1420511025.db2.gz QNPZDVNBOFWFTM-GFCCVEGCSA-N 1 2 343.924 3.172 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1csc(C(C)(C)C)n1 ZINC001716046850 1420511028 /nfs/dbraw/zinc/51/10/28/1420511028.db2.gz QNPZDVNBOFWFTM-GFCCVEGCSA-N 1 2 343.924 3.172 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)C1(CC)CCC1 ZINC001717368338 1421305216 /nfs/dbraw/zinc/30/52/16/1421305216.db2.gz AXQRAGVDUYJERR-CQSZACIVSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)C1(CC)CCC1 ZINC001717368338 1421305219 /nfs/dbraw/zinc/30/52/19/1421305219.db2.gz AXQRAGVDUYJERR-CQSZACIVSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Cl)C[NH2+]C[C@H](NC(=O)c1cccc2nc[nH]c21)C1CCCC1 ZINC001724103307 1424665873 /nfs/dbraw/zinc/66/58/73/1424665873.db2.gz OLUXGQFYCIWQIU-INIZCTEOSA-N 1 2 346.862 3.194 20 30 EGEDLO C=C(Br)C[N@H+]1CCCCC[C@@H]1CNC(=O)C1(C)CCC1 ZINC001725236477 1425822444 /nfs/dbraw/zinc/82/24/44/1425822444.db2.gz APCSILVRBBXGNB-CQSZACIVSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C1(C)CCC1 ZINC001725236477 1425822452 /nfs/dbraw/zinc/82/24/52/1425822452.db2.gz APCSILVRBBXGNB-CQSZACIVSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC2(CN(C(=O)CCC(C)C)C2)C1 ZINC001725333299 1425976499 /nfs/dbraw/zinc/97/64/99/1425976499.db2.gz IIEWTRHDXDMIIF-UHFFFAOYSA-N 1 2 343.309 3.256 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC2(CN(C(=O)CCC(C)C)C2)C1 ZINC001725333299 1425976502 /nfs/dbraw/zinc/97/65/02/1425976502.db2.gz IIEWTRHDXDMIIF-UHFFFAOYSA-N 1 2 343.309 3.256 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)c(OC)c(F)c2)C1 ZINC001731374102 1427305065 /nfs/dbraw/zinc/30/50/65/1427305065.db2.gz CWXSGFHCAHPZCJ-CQSZACIVSA-N 1 2 338.398 3.020 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CC[N@H+](Cc2cc(F)c(OC)c(F)c2)C1 ZINC001731374102 1427305070 /nfs/dbraw/zinc/30/50/70/1427305070.db2.gz CWXSGFHCAHPZCJ-CQSZACIVSA-N 1 2 338.398 3.020 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(C)oc3C)C2)CCCC1 ZINC001731380232 1427316076 /nfs/dbraw/zinc/31/60/76/1427316076.db2.gz QUFIZEGHYBXNRD-MRXNPFEDSA-N 1 2 331.460 3.118 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+](Cc3nc(C)oc3C)C2)CCCC1 ZINC001731380232 1427316098 /nfs/dbraw/zinc/31/60/98/1427316098.db2.gz QUFIZEGHYBXNRD-MRXNPFEDSA-N 1 2 331.460 3.118 20 30 EGEDLO C=CCCC(=O)N(C)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001752295854 1440166998 /nfs/dbraw/zinc/16/69/98/1440166998.db2.gz XIRQDNPUPYFAFW-UHFFFAOYSA-N 1 2 329.419 3.086 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@H]21 ZINC001752844447 1440231788 /nfs/dbraw/zinc/23/17/88/1440231788.db2.gz UQHGATDGKTWOEI-AJVGVDARSA-N 1 2 329.271 3.120 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@H]21 ZINC001752844447 1440231789 /nfs/dbraw/zinc/23/17/89/1440231789.db2.gz UQHGATDGKTWOEI-AJVGVDARSA-N 1 2 329.271 3.120 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCC[N@H+](C)[C@H](C)c1nc(-c2ccco2)no1 ZINC001753062875 1440284167 /nfs/dbraw/zinc/28/41/67/1440284167.db2.gz AQEITMXHYXHLNU-ACJLOTCBSA-N 1 2 346.431 3.041 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCC[N@@H+](C)[C@H](C)c1nc(-c2ccco2)no1 ZINC001753062875 1440284168 /nfs/dbraw/zinc/28/41/68/1440284168.db2.gz AQEITMXHYXHLNU-ACJLOTCBSA-N 1 2 346.431 3.041 20 30 EGEDLO C[N@H+](CCNC(=O)C(C)(C)CC(F)(F)F)Cc1ccccc1C#N ZINC001753069708 1440287452 /nfs/dbraw/zinc/28/74/52/1440287452.db2.gz OGMLDIAZZNKXQY-UHFFFAOYSA-N 1 2 341.377 3.085 20 30 EGEDLO C[N@@H+](CCNC(=O)C(C)(C)CC(F)(F)F)Cc1ccccc1C#N ZINC001753069708 1440287453 /nfs/dbraw/zinc/28/74/53/1440287453.db2.gz OGMLDIAZZNKXQY-UHFFFAOYSA-N 1 2 341.377 3.085 20 30 EGEDLO CC[N@H+](CCNC(=O)C[C@H]1CCC[C@@H]1C)Cc1cc(F)ccc1C#N ZINC001753082821 1440294782 /nfs/dbraw/zinc/29/47/82/1440294782.db2.gz SDBKAAAEEHAIRN-JKSUJKDBSA-N 1 2 345.462 3.462 20 30 EGEDLO CC[N@@H+](CCNC(=O)C[C@H]1CCC[C@@H]1C)Cc1cc(F)ccc1C#N ZINC001753082821 1440294783 /nfs/dbraw/zinc/29/47/83/1440294783.db2.gz SDBKAAAEEHAIRN-JKSUJKDBSA-N 1 2 345.462 3.462 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC001753092772 1440300230 /nfs/dbraw/zinc/30/02/30/1440300230.db2.gz NABCLBWKFMJVGF-JKSUJKDBSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC001753092772 1440300231 /nfs/dbraw/zinc/30/02/31/1440300231.db2.gz NABCLBWKFMJVGF-JKSUJKDBSA-N 1 2 330.900 3.018 20 30 EGEDLO C[C@@H](c1c(F)cccc1F)[N@@H+]1CCC[C@H]1CNC(=O)C#CC1CC1 ZINC001753102022 1440304671 /nfs/dbraw/zinc/30/46/71/1440304671.db2.gz BXSQPRYGTPYVOQ-ZFWWWQNUSA-N 1 2 332.394 3.020 20 30 EGEDLO C[C@@H](c1c(F)cccc1F)[N@H+]1CCC[C@H]1CNC(=O)C#CC1CC1 ZINC001753102022 1440304672 /nfs/dbraw/zinc/30/46/72/1440304672.db2.gz BXSQPRYGTPYVOQ-ZFWWWQNUSA-N 1 2 332.394 3.020 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)CC[C@@H](C)CC ZINC001753113026 1440309480 /nfs/dbraw/zinc/30/94/80/1440309480.db2.gz GDXGIDSRMBCTGS-GXTWGEPZSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@@H](C)CC ZINC001753113026 1440309481 /nfs/dbraw/zinc/30/94/81/1440309481.db2.gz GDXGIDSRMBCTGS-GXTWGEPZSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C1CCC(C(=O)NCC[N@@H+](CCC)[C@@H](C)c2ncccn2)CC1 ZINC001753148183 1440325676 /nfs/dbraw/zinc/32/56/76/1440325676.db2.gz UZMNRZILVPVABC-INIZCTEOSA-N 1 2 330.476 3.112 20 30 EGEDLO C=C1CCC(C(=O)NCC[N@H+](CCC)[C@@H](C)c2ncccn2)CC1 ZINC001753148183 1440325677 /nfs/dbraw/zinc/32/56/77/1440325677.db2.gz UZMNRZILVPVABC-INIZCTEOSA-N 1 2 330.476 3.112 20 30 EGEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)CC3=CCCCC3)C2)cc1F ZINC001753398010 1440390517 /nfs/dbraw/zinc/39/05/17/1440390517.db2.gz XQDVXWRIUAVPIV-UHFFFAOYSA-N 1 2 341.430 3.136 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C2(CC)CCCC2)C1 ZINC001753447070 1440404366 /nfs/dbraw/zinc/40/43/66/1440404366.db2.gz RZKXGHDZWFOEAD-AWEZNQCLSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C2(CC)CCCC2)C1 ZINC001753447070 1440404367 /nfs/dbraw/zinc/40/43/67/1440404367.db2.gz RZKXGHDZWFOEAD-AWEZNQCLSA-N 1 2 343.309 3.398 20 30 EGEDLO C[C@@H](C(=O)N(C)CC[N@H+](C)Cc1cc(F)ccc1C#N)C(C)(C)C ZINC001753857411 1440509681 /nfs/dbraw/zinc/50/96/81/1440509681.db2.gz OFDIPUHHSWCQBQ-AWEZNQCLSA-N 1 2 333.451 3.270 20 30 EGEDLO C[C@@H](C(=O)N(C)CC[N@@H+](C)Cc1cc(F)ccc1C#N)C(C)(C)C ZINC001753857411 1440509682 /nfs/dbraw/zinc/50/96/82/1440509682.db2.gz OFDIPUHHSWCQBQ-AWEZNQCLSA-N 1 2 333.451 3.270 20 30 EGEDLO CC(C)c1ccoc1C(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001753860968 1440511584 /nfs/dbraw/zinc/51/15/84/1440511584.db2.gz PSSOIWXLHJSXJD-UHFFFAOYSA-N 1 2 339.439 3.479 20 30 EGEDLO CC(C)c1ccoc1C(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC001753860968 1440511585 /nfs/dbraw/zinc/51/15/85/1440511585.db2.gz PSSOIWXLHJSXJD-UHFFFAOYSA-N 1 2 339.439 3.479 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001753861695 1440512083 /nfs/dbraw/zinc/51/20/83/1440512083.db2.gz OVJCRFMEKOUVTC-IBGZPJMESA-N 1 2 331.435 3.190 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001753861695 1440512084 /nfs/dbraw/zinc/51/20/84/1440512084.db2.gz OVJCRFMEKOUVTC-IBGZPJMESA-N 1 2 331.435 3.190 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC/C=C\C[NH2+]Cc1ncc(Cl)s1 ZINC001754156521 1440545753 /nfs/dbraw/zinc/54/57/53/1440545753.db2.gz LQYVTWNGPGBMLT-WAYWQWQTSA-N 1 2 327.881 3.161 20 30 EGEDLO C=C/C(C)=C/CC(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001754490451 1440610129 /nfs/dbraw/zinc/61/01/29/1440610129.db2.gz PYJFBJMXSQEDSW-HIZIYNLSSA-N 1 2 342.870 3.404 20 30 EGEDLO C=C/C(C)=C/CC(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001754490451 1440610130 /nfs/dbraw/zinc/61/01/30/1440610130.db2.gz PYJFBJMXSQEDSW-HIZIYNLSSA-N 1 2 342.870 3.404 20 30 EGEDLO Cc1csc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)C#CC(C)(C)C)n1 ZINC001754542591 1440626361 /nfs/dbraw/zinc/62/63/61/1440626361.db2.gz WFFNAIVNPHVSBL-CVEARBPZSA-N 1 2 345.512 3.066 20 30 EGEDLO Cc1csc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)C#CC(C)(C)C)n1 ZINC001754542591 1440626362 /nfs/dbraw/zinc/62/63/62/1440626362.db2.gz WFFNAIVNPHVSBL-CVEARBPZSA-N 1 2 345.512 3.066 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@H]2C[NH2+][C@@H](C)c2noc(C)n2)CCCC1 ZINC001754623172 1440645550 /nfs/dbraw/zinc/64/55/50/1440645550.db2.gz UMSCRCCZRVYOQA-HOCLYGCPSA-N 1 2 346.475 3.156 20 30 EGEDLO C#CCN(C(=O)CC1(C)CC1)C1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC001754637897 1440648784 /nfs/dbraw/zinc/64/87/84/1440648784.db2.gz CFAZURDDJAQZGK-OWBHPGMISA-N 1 2 343.298 3.422 20 30 EGEDLO CC(C(=O)N[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1)=C1CCC1 ZINC001754669354 1440657688 /nfs/dbraw/zinc/65/76/88/1440657688.db2.gz AAQMKLBXJMFDPZ-FQEVSTJZSA-N 1 2 341.430 3.278 20 30 EGEDLO CC(C(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1)=C1CCC1 ZINC001754669354 1440657689 /nfs/dbraw/zinc/65/76/89/1440657689.db2.gz AAQMKLBXJMFDPZ-FQEVSTJZSA-N 1 2 341.430 3.278 20 30 EGEDLO C[C@@H](CC(=O)N[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1)C1CC1 ZINC001754685784 1440665015 /nfs/dbraw/zinc/66/50/15/1440665015.db2.gz RRSQELLUSAOEQM-XOBRGWDASA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@@H](CC(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1)C1CC1 ZINC001754685784 1440665016 /nfs/dbraw/zinc/66/50/16/1440665016.db2.gz RRSQELLUSAOEQM-XOBRGWDASA-N 1 2 343.446 3.214 20 30 EGEDLO C=CCC(C)(C)C(=O)NCC1([NH2+]Cc2nc(C(C)(C)C)no2)CCC1 ZINC001754986526 1440722987 /nfs/dbraw/zinc/72/29/87/1440722987.db2.gz JQZOGQDEKGAERA-UHFFFAOYSA-N 1 2 348.491 3.098 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2csnn2)CC1 ZINC001755028900 1440730254 /nfs/dbraw/zinc/73/02/54/1440730254.db2.gz JLKLTECWRFBTEO-ZIAGYGMSSA-N 1 2 336.505 3.172 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2csnn2)CC1 ZINC001755028900 1440730255 /nfs/dbraw/zinc/73/02/55/1440730255.db2.gz JLKLTECWRFBTEO-ZIAGYGMSSA-N 1 2 336.505 3.172 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CCC2(C[NH+](Cc3ccccc3)C2)O1 ZINC001755054340 1440743563 /nfs/dbraw/zinc/74/35/63/1440743563.db2.gz MOARGFYSIKQKRT-SFHVURJKSA-N 1 2 342.483 3.139 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)/C(C)=C/CC)C[C@H]1C ZINC001755158582 1440763796 /nfs/dbraw/zinc/76/37/96/1440763796.db2.gz XEQBIASOHKBMGM-BLOBHPOZSA-N 1 2 329.282 3.220 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)/C(C)=C/CC)C[C@H]1C ZINC001755158582 1440763797 /nfs/dbraw/zinc/76/37/97/1440763797.db2.gz XEQBIASOHKBMGM-BLOBHPOZSA-N 1 2 329.282 3.220 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)CCC1CCC1 ZINC001755190259 1440774561 /nfs/dbraw/zinc/77/45/61/1440774561.db2.gz XOYRQUIZABVVIW-OAHLLOKOSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)CCC1CCC1 ZINC001755190259 1440774560 /nfs/dbraw/zinc/77/45/60/1440774560.db2.gz XOYRQUIZABVVIW-OAHLLOKOSA-N 1 2 343.309 3.398 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ncc(C)o1 ZINC001755192805 1440775292 /nfs/dbraw/zinc/77/52/92/1440775292.db2.gz LYVWHYCPBJNKMS-QGZVFWFLSA-N 1 2 331.460 3.174 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ncc(C)o1 ZINC001755192805 1440775293 /nfs/dbraw/zinc/77/52/93/1440775293.db2.gz LYVWHYCPBJNKMS-QGZVFWFLSA-N 1 2 331.460 3.174 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H](C)[N@H+](C)Cc2noc3c2CCCC3)CC1 ZINC001755314157 1440814727 /nfs/dbraw/zinc/81/47/27/1440814727.db2.gz BLZUHLOZLHVMIB-HNNXBMFYSA-N 1 2 345.487 3.236 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H](C)[N@@H+](C)Cc2noc3c2CCCC3)CC1 ZINC001755314157 1440814728 /nfs/dbraw/zinc/81/47/28/1440814728.db2.gz BLZUHLOZLHVMIB-HNNXBMFYSA-N 1 2 345.487 3.236 20 30 EGEDLO C[C@H](CNC(=O)[C@]12C[C@H]1CCCC2)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001755315835 1440815707 /nfs/dbraw/zinc/81/57/07/1440815707.db2.gz XYRGFZUBRJNZRH-WIBUTAKZSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H](CNC(=O)[C@]12C[C@H]1CCCC2)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001755315835 1440815708 /nfs/dbraw/zinc/81/57/08/1440815708.db2.gz XYRGFZUBRJNZRH-WIBUTAKZSA-N 1 2 343.446 3.214 20 30 EGEDLO C=CCCC(=O)N[C@@H](C)C1C[NH+](Cc2nc(C(C)(C)C)cs2)C1 ZINC001755376023 1440838375 /nfs/dbraw/zinc/83/83/75/1440838375.db2.gz VJSIHPRNJQTZGM-ZDUSSCGKSA-N 1 2 335.517 3.343 20 30 EGEDLO C[C@H](NC(=O)/C=C/C(C)(C)C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001755380592 1440839212 /nfs/dbraw/zinc/83/92/12/1440839212.db2.gz HJAOTHODHSELNV-NPQIQWPPSA-N 1 2 343.446 3.236 20 30 EGEDLO C=C/C(C)=C\CC(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001755384208 1440840061 /nfs/dbraw/zinc/84/00/61/1440840061.db2.gz MZNKDWRHHMJFBA-AGKVCYSUSA-N 1 2 341.430 3.156 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CC(C)(C)CO2)C(C)(C)C1 ZINC001755417117 1440849403 /nfs/dbraw/zinc/84/94/03/1440849403.db2.gz YZQROWWGYNIUDZ-HUUCEWRRSA-N 1 2 342.911 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CC(C)(C)CO2)C(C)(C)C1 ZINC001755417117 1440849404 /nfs/dbraw/zinc/84/94/04/1440849404.db2.gz YZQROWWGYNIUDZ-HUUCEWRRSA-N 1 2 342.911 3.161 20 30 EGEDLO CC(C)N(CC[N@H+](C)Cc1cccc(F)c1F)C(=O)C#CC1CC1 ZINC001755810355 1440920001 /nfs/dbraw/zinc/92/00/01/1440920001.db2.gz GZRXQGHCQHBGLX-UHFFFAOYSA-N 1 2 334.410 3.047 20 30 EGEDLO CC(C)N(CC[N@@H+](C)Cc1cccc(F)c1F)C(=O)C#CC1CC1 ZINC001755810355 1440920002 /nfs/dbraw/zinc/92/00/02/1440920002.db2.gz GZRXQGHCQHBGLX-UHFFFAOYSA-N 1 2 334.410 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)[C@@H]1COc2ccccc21)C(C)C ZINC001755815226 1440923266 /nfs/dbraw/zinc/92/32/66/1440923266.db2.gz DUQRMXGJXFPQQO-MRXNPFEDSA-N 1 2 336.863 3.084 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)[C@@H]1COc2ccccc21)C(C)C ZINC001755815226 1440923267 /nfs/dbraw/zinc/92/32/67/1440923267.db2.gz DUQRMXGJXFPQQO-MRXNPFEDSA-N 1 2 336.863 3.084 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)CCCC2CC2)CC1 ZINC001755891407 1440941668 /nfs/dbraw/zinc/94/16/68/1440941668.db2.gz CKWMFLXTABOGPM-UHFFFAOYSA-N 1 2 341.293 3.224 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)CCCC2CC2)CC1 ZINC001755891407 1440941669 /nfs/dbraw/zinc/94/16/69/1440941669.db2.gz CKWMFLXTABOGPM-UHFFFAOYSA-N 1 2 341.293 3.224 20 30 EGEDLO C=CC[NH+]1CCN(c2nc(Cl)ncc2OCc2ccccc2)CC1 ZINC001165031924 721867311 /nfs/dbraw/zinc/86/73/11/721867311.db2.gz ZRZIOMLQCKTKSZ-UHFFFAOYSA-N 1 2 344.846 3.017 20 30 EGEDLO C=CC[NH+]1CCN(C(F)(F)Oc2ccc(Cl)nc2Cl)CC1 ZINC001165035622 721873097 /nfs/dbraw/zinc/87/30/97/721873097.db2.gz WJOLHSXQPIXPSU-UHFFFAOYSA-N 1 2 338.185 3.121 20 30 EGEDLO Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)s1 ZINC000183967517 235274483 /nfs/dbraw/zinc/27/44/83/235274483.db2.gz VORKDPLCSKYJMD-HNNXBMFYSA-N 1 2 339.464 3.447 20 30 EGEDLO N#Cc1cccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000022238268 202081299 /nfs/dbraw/zinc/08/12/99/202081299.db2.gz FDDVOXDZCQCOCQ-UHFFFAOYSA-N 1 2 326.425 3.253 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000025417908 202131174 /nfs/dbraw/zinc/13/11/74/202131174.db2.gz NFLNTUQRBSQUQF-GOSISDBHSA-N 1 2 348.431 3.332 20 30 EGEDLO C=CCOc1cccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000264773914 201212078 /nfs/dbraw/zinc/21/20/78/201212078.db2.gz WZBDFJGARLDFJL-CQSZACIVSA-N 1 2 326.400 3.386 20 30 EGEDLO Cc1nnc([C@H]2CCC[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)[nH]1 ZINC000268502138 201226992 /nfs/dbraw/zinc/22/69/92/201226992.db2.gz SNXRFMIUSTZATJ-HNNXBMFYSA-N 1 2 348.372 3.363 20 30 EGEDLO Cc1nnc([C@H]2CCC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)[nH]1 ZINC000268502138 201226997 /nfs/dbraw/zinc/22/69/97/201226997.db2.gz SNXRFMIUSTZATJ-HNNXBMFYSA-N 1 2 348.372 3.363 20 30 EGEDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000268502138 201227001 /nfs/dbraw/zinc/22/70/01/201227001.db2.gz SNXRFMIUSTZATJ-HNNXBMFYSA-N 1 2 348.372 3.363 20 30 EGEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000268502138 201227004 /nfs/dbraw/zinc/22/70/04/201227004.db2.gz SNXRFMIUSTZATJ-HNNXBMFYSA-N 1 2 348.372 3.363 20 30 EGEDLO Cc1nc([C@H]2CCC[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)n[nH]1 ZINC000268502138 201227008 /nfs/dbraw/zinc/22/70/08/201227008.db2.gz SNXRFMIUSTZATJ-HNNXBMFYSA-N 1 2 348.372 3.363 20 30 EGEDLO Cc1nc([C@H]2CCC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)n[nH]1 ZINC000268502138 201227011 /nfs/dbraw/zinc/22/70/11/201227011.db2.gz SNXRFMIUSTZATJ-HNNXBMFYSA-N 1 2 348.372 3.363 20 30 EGEDLO C=C(C)[C@@H](CC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)OCC ZINC000270068410 201236169 /nfs/dbraw/zinc/23/61/69/201236169.db2.gz QYVSSMWZXUESTF-QFBILLFUSA-N 1 2 346.471 3.390 20 30 EGEDLO C=CCCN(C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000276017028 201289713 /nfs/dbraw/zinc/28/97/13/201289713.db2.gz AGVMVEKAEOIXEJ-OAHLLOKOSA-N 1 2 332.835 3.380 20 30 EGEDLO C#CCC1(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)CCCCC1 ZINC000276570506 201296507 /nfs/dbraw/zinc/29/65/07/201296507.db2.gz VRFMEKAKRUSTRM-UHFFFAOYSA-N 1 2 340.467 3.010 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(OC)c(OCCC)c2)n1 ZINC000279505358 201319382 /nfs/dbraw/zinc/31/93/82/201319382.db2.gz ZXQLPTJTKABPRE-UHFFFAOYSA-N 1 2 341.455 3.336 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(OC)c(OCCC)c2)n1 ZINC000279505358 201319386 /nfs/dbraw/zinc/31/93/86/201319386.db2.gz ZXQLPTJTKABPRE-UHFFFAOYSA-N 1 2 341.455 3.336 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000278849164 201311399 /nfs/dbraw/zinc/31/13/99/201311399.db2.gz FMHOUYKYZHUPFP-MNOVXSKESA-N 1 2 347.406 3.402 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cccc(OC)c2OC(F)F)n1 ZINC000279365910 201316448 /nfs/dbraw/zinc/31/64/48/201316448.db2.gz ICOUYIPKQKLDKY-UHFFFAOYSA-N 1 2 349.381 3.148 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cccc(OC)c2OC(F)F)n1 ZINC000279365910 201316451 /nfs/dbraw/zinc/31/64/51/201316451.db2.gz ICOUYIPKQKLDKY-UHFFFAOYSA-N 1 2 349.381 3.148 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2c(C)nn(-c3ccccc3)c2C)n1 ZINC000279415276 201317655 /nfs/dbraw/zinc/31/76/55/201317655.db2.gz OHEAWVAHDODTDG-UHFFFAOYSA-N 1 2 347.466 3.341 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2c(C)nn(-c3ccccc3)c2C)n1 ZINC000279415276 201317659 /nfs/dbraw/zinc/31/76/59/201317659.db2.gz OHEAWVAHDODTDG-UHFFFAOYSA-N 1 2 347.466 3.341 20 30 EGEDLO N#Cc1ccccc1/C=C\C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000098055286 203982014 /nfs/dbraw/zinc/98/20/14/203982014.db2.gz MDNXSLDXJBERHY-VURMDHGXSA-N 1 2 346.365 3.213 20 30 EGEDLO N#Cc1cccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c1 ZINC000109582023 204287820 /nfs/dbraw/zinc/28/78/20/204287820.db2.gz OIDGMENMYRTEQR-UHFFFAOYSA-N 1 2 346.390 3.107 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c(C#N)c1C ZINC000264147689 246109849 /nfs/dbraw/zinc/10/98/49/246109849.db2.gz CKBGPQXOBOTTPW-OAHLLOKOSA-N 1 2 341.386 3.335 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c(C#N)c1C ZINC000264147689 246109855 /nfs/dbraw/zinc/10/98/55/246109855.db2.gz CKBGPQXOBOTTPW-OAHLLOKOSA-N 1 2 341.386 3.335 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(OC(C)(C)C)CC2)c(C#N)c1C ZINC000162353478 206397684 /nfs/dbraw/zinc/39/76/84/206397684.db2.gz POOYWJZYNPEOKK-CYBMUJFWSA-N 1 2 347.459 3.375 20 30 EGEDLO C[N@@H+]1CCO[C@H]([C@H](Nc2ccc(C#N)cn2)c2ccc(Cl)cc2)C1 ZINC000301904974 258016437 /nfs/dbraw/zinc/01/64/37/258016437.db2.gz YIVGOFWZOUSFFA-FUHWJXTLSA-N 1 2 342.830 3.090 20 30 EGEDLO C[N@H+]1CCO[C@H]([C@H](Nc2ccc(C#N)cn2)c2ccc(Cl)cc2)C1 ZINC000301904974 258016438 /nfs/dbraw/zinc/01/64/38/258016438.db2.gz YIVGOFWZOUSFFA-FUHWJXTLSA-N 1 2 342.830 3.090 20 30 EGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000097254260 135643885 /nfs/dbraw/zinc/64/38/85/135643885.db2.gz KZQBPLIDHGYCIS-UHFFFAOYSA-N 1 2 331.341 3.298 20 30 EGEDLO N#Cc1cc(F)ccc1C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000359622266 141388728 /nfs/dbraw/zinc/38/87/28/141388728.db2.gz AOOHRTIQQGPVAC-MRXNPFEDSA-N 1 2 349.203 3.283 20 30 EGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000121098907 152325765 /nfs/dbraw/zinc/32/57/65/152325765.db2.gz WPXJHPOYHSMNDP-UHFFFAOYSA-N 1 2 344.361 3.282 20 30 EGEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000121098907 152325769 /nfs/dbraw/zinc/32/57/69/152325769.db2.gz WPXJHPOYHSMNDP-UHFFFAOYSA-N 1 2 344.361 3.282 20 30 EGEDLO Cc1cc(NC(=O)c2cnccc2C#N)c[nH+]c1N1CCCC[C@@H]1C ZINC000345385355 156080436 /nfs/dbraw/zinc/08/04/36/156080436.db2.gz HYBRMTCAORLPTE-AWEZNQCLSA-N 1 2 335.411 3.288 20 30 EGEDLO COCC[N@H+](CCOc1ccc(F)cc1)Cc1cc(F)ccc1C#N ZINC000345780855 164264177 /nfs/dbraw/zinc/26/41/77/164264177.db2.gz YKGGCUSWDKYION-UHFFFAOYSA-N 1 2 346.377 3.364 20 30 EGEDLO COCC[N@@H+](CCOc1ccc(F)cc1)Cc1cc(F)ccc1C#N ZINC000345780855 164264181 /nfs/dbraw/zinc/26/41/81/164264181.db2.gz YKGGCUSWDKYION-UHFFFAOYSA-N 1 2 346.377 3.364 20 30 EGEDLO Cc1nsc(N2CC[NH+](CCO[C@@H]3CCCC[C@@H]3C)CC2)c1C#N ZINC000352189654 165275920 /nfs/dbraw/zinc/27/59/20/165275920.db2.gz NTQLOVBBDKKGMG-WMLDXEAASA-N 1 2 348.516 3.041 20 30 EGEDLO C[N@H+](Cc1cccc(C(F)(F)F)c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360289654 167290669 /nfs/dbraw/zinc/29/06/69/167290669.db2.gz CITPHWPFHXVONI-MRXNPFEDSA-N 1 2 347.340 3.235 20 30 EGEDLO C[N@@H+](Cc1cccc(C(F)(F)F)c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360289654 167290672 /nfs/dbraw/zinc/29/06/72/167290672.db2.gz CITPHWPFHXVONI-MRXNPFEDSA-N 1 2 347.340 3.235 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@H+](CCOc3ccccc3F)CCO2)c1 ZINC000367128620 168182236 /nfs/dbraw/zinc/18/22/36/168182236.db2.gz DLDUORIKYVRFQX-IBGZPJMESA-N 1 2 326.371 3.150 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCOc3ccccc3F)CCO2)c1 ZINC000367128620 168182238 /nfs/dbraw/zinc/18/22/38/168182238.db2.gz DLDUORIKYVRFQX-IBGZPJMESA-N 1 2 326.371 3.150 20 30 EGEDLO N#Cc1cnc2ccc(OC(F)F)cc2c1NCCCn1cc[nH+]c1 ZINC000301116879 270043736 /nfs/dbraw/zinc/04/37/36/270043736.db2.gz YUIPACKKMHLGGT-UHFFFAOYSA-N 1 2 343.337 3.407 20 30 EGEDLO CCCOc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C2 ZINC000441063354 270051788 /nfs/dbraw/zinc/05/17/88/270051788.db2.gz OCXDXRMQJWZGSL-UHFFFAOYSA-N 1 2 349.434 3.344 20 30 EGEDLO CCCOc1ccc2c(c1)CC[N@H+](CC(=O)Nc1ccc(C#N)cc1)C2 ZINC000441063354 270051789 /nfs/dbraw/zinc/05/17/89/270051789.db2.gz OCXDXRMQJWZGSL-UHFFFAOYSA-N 1 2 349.434 3.344 20 30 EGEDLO N#Cc1ccc(/C=C\c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000445817327 270052417 /nfs/dbraw/zinc/05/24/17/270052417.db2.gz DBOBYRSNWNLTKM-LZDOZHLXSA-N 1 2 336.395 3.037 20 30 EGEDLO N#Cc1ccc(/C=C\c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000445817327 270052418 /nfs/dbraw/zinc/05/24/18/270052418.db2.gz DBOBYRSNWNLTKM-LZDOZHLXSA-N 1 2 336.395 3.037 20 30 EGEDLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000468269103 270055159 /nfs/dbraw/zinc/05/51/59/270055159.db2.gz CKPNMXGYWWEAPF-UHFFFAOYSA-N 1 2 325.387 3.330 20 30 EGEDLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000468269103 270055160 /nfs/dbraw/zinc/05/51/60/270055160.db2.gz CKPNMXGYWWEAPF-UHFFFAOYSA-N 1 2 325.387 3.330 20 30 EGEDLO C#C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccc(Cl)cc1F ZINC000491349736 270057801 /nfs/dbraw/zinc/05/78/01/270057801.db2.gz JWDJPPGWKGRVEF-KRWDZBQOSA-N 1 2 338.773 3.463 20 30 EGEDLO N#Cc1csc(C[N@@H+]2CCC[C@]3(CCc4ccccc4O3)C2)n1 ZINC000528731711 270060021 /nfs/dbraw/zinc/06/00/21/270060021.db2.gz UBFROTMFUQIIRP-SFHVURJKSA-N 1 2 325.437 3.375 20 30 EGEDLO N#Cc1csc(C[N@H+]2CCC[C@]3(CCc4ccccc4O3)C2)n1 ZINC000528731711 270060023 /nfs/dbraw/zinc/06/00/23/270060023.db2.gz UBFROTMFUQIIRP-SFHVURJKSA-N 1 2 325.437 3.375 20 30 EGEDLO CCOc1ccc(C[NH+]2CCN(Cc3cc(C#N)cs3)CC2)cc1 ZINC000179838826 265390491 /nfs/dbraw/zinc/39/04/91/265390491.db2.gz BVEARNRXPJCJEK-UHFFFAOYSA-N 1 2 341.480 3.336 20 30 EGEDLO CCOc1ccc(CN2CC[NH+](Cc3cc(C#N)cs3)CC2)cc1 ZINC000179838826 265390493 /nfs/dbraw/zinc/39/04/93/265390493.db2.gz BVEARNRXPJCJEK-UHFFFAOYSA-N 1 2 341.480 3.336 20 30 EGEDLO CCC(C)(C)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000331169120 265996204 /nfs/dbraw/zinc/99/62/04/265996204.db2.gz HOTFQBQHSBILNZ-UHFFFAOYSA-N 1 2 328.460 3.026 20 30 EGEDLO CCC(CC)n1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292326000 266005047 /nfs/dbraw/zinc/00/50/47/266005047.db2.gz WBIFRSHLSXNYFL-SFHVURJKSA-N 1 2 339.443 3.164 20 30 EGEDLO CCC(CC)n1ccc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292326000 266005049 /nfs/dbraw/zinc/00/50/49/266005049.db2.gz WBIFRSHLSXNYFL-SFHVURJKSA-N 1 2 339.443 3.164 20 30 EGEDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2cccnc2C#N)CC1 ZINC000290626668 267001806 /nfs/dbraw/zinc/00/18/06/267001806.db2.gz MAOAVDLEPMQRGL-ZDUSSCGKSA-N 1 2 328.366 3.115 20 30 EGEDLO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)[C@@H]1c1ccccc1 ZINC000177163543 267058938 /nfs/dbraw/zinc/05/89/38/267058938.db2.gz NPPNZFGQZXEKND-XYPHTWIQSA-N 1 2 337.448 3.418 20 30 EGEDLO C[C@@H]1C[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)[C@@H]1c1ccccc1 ZINC000177163543 267058941 /nfs/dbraw/zinc/05/89/41/267058941.db2.gz NPPNZFGQZXEKND-XYPHTWIQSA-N 1 2 337.448 3.418 20 30 EGEDLO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000272940713 267072623 /nfs/dbraw/zinc/07/26/23/267072623.db2.gz LCHHFSHUCREOTQ-CQSZACIVSA-N 1 2 346.390 3.391 20 30 EGEDLO C[C@@H]1COc2ccccc2C[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000272940713 267072626 /nfs/dbraw/zinc/07/26/26/267072626.db2.gz LCHHFSHUCREOTQ-CQSZACIVSA-N 1 2 346.390 3.391 20 30 EGEDLO CCOC(=O)C1([N@H+](C)Cc2cc(C#N)ccc2OC)CCCCC1 ZINC000441013471 267113374 /nfs/dbraw/zinc/11/33/74/267113374.db2.gz UQNQDGXDDUFVPO-UHFFFAOYSA-N 1 2 330.428 3.265 20 30 EGEDLO CCOC(=O)C1([N@@H+](C)Cc2cc(C#N)ccc2OC)CCCCC1 ZINC000441013471 267113376 /nfs/dbraw/zinc/11/33/76/267113376.db2.gz UQNQDGXDDUFVPO-UHFFFAOYSA-N 1 2 330.428 3.265 20 30 EGEDLO CCOC(=O)C[N@H+](CCc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000468269728 267118730 /nfs/dbraw/zinc/11/87/30/267118730.db2.gz HDTBOYHGDZZJJT-UHFFFAOYSA-N 1 2 340.398 3.305 20 30 EGEDLO CCOC(=O)C[N@@H+](CCc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000468269728 267118733 /nfs/dbraw/zinc/11/87/33/267118733.db2.gz HDTBOYHGDZZJJT-UHFFFAOYSA-N 1 2 340.398 3.305 20 30 EGEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000459043589 267258131 /nfs/dbraw/zinc/25/81/31/267258131.db2.gz DIBLEKKPDXJZDE-CQSZACIVSA-N 1 2 337.427 3.210 20 30 EGEDLO Cc1c(C#N)c(N2CCN(c3cccc[nH+]3)CC2)nc2ccccc12 ZINC000296515642 267274962 /nfs/dbraw/zinc/27/49/62/267274962.db2.gz MGUXUAVRJLNPQU-UHFFFAOYSA-N 1 2 329.407 3.137 20 30 EGEDLO Cc1cc(NC(=O)c2cc(C#N)ccn2)c[nH+]c1N1CCCC[C@H]1C ZINC000288486128 267345634 /nfs/dbraw/zinc/34/56/34/267345634.db2.gz JUUQTWJGVPLSCW-CQSZACIVSA-N 1 2 335.411 3.288 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CC=C(C(F)(F)F)CC3)o2)cc1 ZINC000270258942 268029059 /nfs/dbraw/zinc/02/90/59/268029059.db2.gz YRLUAXXRLSEXJY-UHFFFAOYSA-N 1 2 334.301 3.303 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC=C(C(F)(F)F)CC3)o2)cc1 ZINC000270258942 268029062 /nfs/dbraw/zinc/02/90/62/268029062.db2.gz YRLUAXXRLSEXJY-UHFFFAOYSA-N 1 2 334.301 3.303 20 30 EGEDLO N#Cc1ccc(C[N@H+](Cc2ncc(C3OCCO3)s2)C2CC2)cc1 ZINC000289071674 268064543 /nfs/dbraw/zinc/06/45/43/268064543.db2.gz JVVSSWQCTFETLC-UHFFFAOYSA-N 1 2 341.436 3.225 20 30 EGEDLO N#Cc1ccc(C[N@@H+](Cc2ncc(C3OCCO3)s2)C2CC2)cc1 ZINC000289071674 268064544 /nfs/dbraw/zinc/06/45/44/268064544.db2.gz JVVSSWQCTFETLC-UHFFFAOYSA-N 1 2 341.436 3.225 20 30 EGEDLO Cc1nc(N2CCN(c3ccc(C#N)cc3Cl)CC2)c(C)c(C)[nH+]1 ZINC000443956065 268073516 /nfs/dbraw/zinc/07/35/16/268073516.db2.gz BXNXLFKEINWHNL-UHFFFAOYSA-N 1 2 341.846 3.254 20 30 EGEDLO Cc1[nH+]c2cc(NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)ccc2n1C ZINC000525218112 268079222 /nfs/dbraw/zinc/07/92/22/268079222.db2.gz XLQHPLZUFZMWFZ-GFCCVEGCSA-N 1 2 334.379 3.159 20 30 EGEDLO Cc1[nH+]c2cc(CNC(=O)c3ccc(C#N)c(O)c3)ccc2n1C1CC1 ZINC000412328003 268079352 /nfs/dbraw/zinc/07/93/52/268079352.db2.gz FPBRLPKRJSUQAN-UHFFFAOYSA-N 1 2 346.390 3.187 20 30 EGEDLO Cn1ncc2c1CCC[N@H+](Cc1cc(C#N)ccc1Br)C2 ZINC000411861027 268134794 /nfs/dbraw/zinc/13/47/94/268134794.db2.gz WGDIAYKOBGDCCO-UHFFFAOYSA-N 1 2 345.244 3.003 20 30 EGEDLO Cn1ncc2c1CCC[N@@H+](Cc1cc(C#N)ccc1Br)C2 ZINC000411861027 268134795 /nfs/dbraw/zinc/13/47/95/268134795.db2.gz WGDIAYKOBGDCCO-UHFFFAOYSA-N 1 2 345.244 3.003 20 30 EGEDLO N#Cc1ccc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c(F)c1 ZINC000301148255 268156769 /nfs/dbraw/zinc/15/67/69/268156769.db2.gz NAHQFPPEYNPFJK-IBGZPJMESA-N 1 2 325.387 3.183 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444734615 268180973 /nfs/dbraw/zinc/18/09/73/268180973.db2.gz NPOXFBUMTYFWIN-FZMZJTMJSA-N 1 2 332.753 3.347 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444734615 268180974 /nfs/dbraw/zinc/18/09/74/268180974.db2.gz NPOXFBUMTYFWIN-FZMZJTMJSA-N 1 2 332.753 3.347 20 30 EGEDLO N#Cc1ccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)[nH]1 ZINC000443578328 268204453 /nfs/dbraw/zinc/20/44/53/268204453.db2.gz OHGKBWZMKSHKAA-UHFFFAOYSA-N 1 2 331.379 3.338 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3ncccc3F)CC2)c(Cl)c1 ZINC000439449054 268220851 /nfs/dbraw/zinc/22/08/51/268220851.db2.gz IGQFOJNOFFQIDN-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000185314095 268265810 /nfs/dbraw/zinc/26/58/10/268265810.db2.gz IJMFDEMUHIRYMP-CQSZACIVSA-N 1 2 341.361 3.264 20 30 EGEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000185314095 268265811 /nfs/dbraw/zinc/26/58/11/268265811.db2.gz IJMFDEMUHIRYMP-CQSZACIVSA-N 1 2 341.361 3.264 20 30 EGEDLO N#Cc1cccc([N+](=O)[O-])c1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000425209560 268293731 /nfs/dbraw/zinc/29/37/31/268293731.db2.gz RUGMOZUXLYCBDR-UHFFFAOYSA-N 1 2 337.383 3.464 20 30 EGEDLO N#Cc1ncc(C(F)(F)F)cc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000413053727 268321438 /nfs/dbraw/zinc/32/14/38/268321438.db2.gz KWKZTOBLMNCGSC-UHFFFAOYSA-N 1 2 347.344 3.448 20 30 EGEDLO COC(=O)c1ccc(N2CC[N@H+](Cc3ccccc3C#N)[C@@H](C)C2)cc1 ZINC000109960048 275179455 /nfs/dbraw/zinc/17/94/55/275179455.db2.gz DYIABSOLQSQXGO-INIZCTEOSA-N 1 2 349.434 3.056 20 30 EGEDLO COC(=O)c1ccc(N2CC[N@@H+](Cc3ccccc3C#N)[C@@H](C)C2)cc1 ZINC000109960048 275179456 /nfs/dbraw/zinc/17/94/56/275179456.db2.gz DYIABSOLQSQXGO-INIZCTEOSA-N 1 2 349.434 3.056 20 30 EGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)Cc1c(F)cccc1C#N ZINC000355651013 288737707 /nfs/dbraw/zinc/73/77/07/288737707.db2.gz CKDLAGGWESBWQH-QGZVFWFLSA-N 1 2 340.402 3.210 20 30 EGEDLO CC(=O)Nc1nc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cs1 ZINC000058397039 307348501 /nfs/dbraw/zinc/34/85/01/307348501.db2.gz SRGMARSJVJKWEJ-UHFFFAOYSA-N 1 2 328.441 3.384 20 30 EGEDLO CC(=O)Nc1nc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cs1 ZINC000058397039 307348503 /nfs/dbraw/zinc/34/85/03/307348503.db2.gz SRGMARSJVJKWEJ-UHFFFAOYSA-N 1 2 328.441 3.384 20 30 EGEDLO N#Cc1cc(F)c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c(F)c1 ZINC000124363214 307547818 /nfs/dbraw/zinc/54/78/18/307547818.db2.gz FYUNKEGLSSYHEP-UHFFFAOYSA-N 1 2 342.280 3.414 20 30 EGEDLO CC[N@H+](CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)C[C@@H](C)C#N ZINC000060038276 454265982 /nfs/dbraw/zinc/26/59/82/454265982.db2.gz RMZVYRNDJOBBEI-LBPRGKRZSA-N 1 2 342.270 3.433 20 30 EGEDLO C=CC[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)Cc1ccc(Cl)s1 ZINC000079853415 454490014 /nfs/dbraw/zinc/49/00/14/454490014.db2.gz GZZATEFMJLOSDC-CYBMUJFWSA-N 1 2 339.892 3.398 20 30 EGEDLO C=CC[N@H+](CC(=O)N(CC)C[C@H](C)C#N)Cc1ccc(Cl)s1 ZINC000079853415 454490018 /nfs/dbraw/zinc/49/00/18/454490018.db2.gz GZZATEFMJLOSDC-CYBMUJFWSA-N 1 2 339.892 3.398 20 30 EGEDLO N#Cc1ccc(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)nc1 ZINC000552213199 315206110 /nfs/dbraw/zinc/20/61/10/315206110.db2.gz IHSBGHPCRNAGFR-UHFFFAOYSA-N 1 2 343.390 3.405 20 30 EGEDLO C=CCOCC[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000293546552 455789626 /nfs/dbraw/zinc/78/96/26/455789626.db2.gz QTBGLWQLCXDILJ-HNNXBMFYSA-N 1 2 326.234 3.025 20 30 EGEDLO C=CCOCC[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000293546552 455789632 /nfs/dbraw/zinc/78/96/32/455789632.db2.gz QTBGLWQLCXDILJ-HNNXBMFYSA-N 1 2 326.234 3.025 20 30 EGEDLO COc1cc(C[N@H+](C)[C@H](C)CC#N)cc(OC)c1OCC(F)F ZINC000289380254 456122891 /nfs/dbraw/zinc/12/28/91/456122891.db2.gz PXVHEOQYKSOLBH-LLVKDONJSA-N 1 2 328.359 3.082 20 30 EGEDLO COc1cc(C[N@@H+](C)[C@H](C)CC#N)cc(OC)c1OCC(F)F ZINC000289380254 456122896 /nfs/dbraw/zinc/12/28/96/456122896.db2.gz PXVHEOQYKSOLBH-LLVKDONJSA-N 1 2 328.359 3.082 20 30 EGEDLO Cc1cccn2cc(CC(=O)N3CCCc4cc(C#N)ccc43)[nH+]c12 ZINC000577597985 324833774 /nfs/dbraw/zinc/83/37/74/324833774.db2.gz CRPRRRNVBONPLR-UHFFFAOYSA-N 1 2 330.391 3.036 20 30 EGEDLO C[C@@H](c1cccc(Cl)c1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000581762592 325388866 /nfs/dbraw/zinc/38/88/66/325388866.db2.gz GKQGMILSOGGDPA-AWEZNQCLSA-N 1 2 326.831 3.490 20 30 EGEDLO CCN(Cc1c[nH+]c2c(C)cc(Br)cn12)C[C@H](C)C#N ZINC000346207183 457024939 /nfs/dbraw/zinc/02/49/39/457024939.db2.gz MJUSPGOSTVXHHQ-LLVKDONJSA-N 1 2 335.249 3.387 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000007018052 453017726 /nfs/dbraw/zinc/01/77/26/453017726.db2.gz NBCSRRGVGGYZCO-INIZCTEOSA-N 1 2 342.270 3.480 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000007018052 453017733 /nfs/dbraw/zinc/01/77/33/453017733.db2.gz NBCSRRGVGGYZCO-INIZCTEOSA-N 1 2 342.270 3.480 20 30 EGEDLO Cn1cc[nH+]c1[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC000009908763 453265716 /nfs/dbraw/zinc/26/57/16/453265716.db2.gz ZOPVWDTWWBJFGX-QGZVFWFLSA-N 1 2 333.351 3.401 20 30 EGEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000010832039 453302880 /nfs/dbraw/zinc/30/28/80/453302880.db2.gz RFTBJIDTODYJSC-UHFFFAOYSA-N 1 2 347.418 3.092 20 30 EGEDLO N#CCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000022702501 453697148 /nfs/dbraw/zinc/69/71/48/453697148.db2.gz VAMABGKBQWGVQL-UHFFFAOYSA-N 1 2 327.457 3.259 20 30 EGEDLO Cc1ccccc1CN1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000022918309 453701488 /nfs/dbraw/zinc/70/14/88/453701488.db2.gz BFADWNHUSMPGBO-UHFFFAOYSA-N 1 2 335.451 3.063 20 30 EGEDLO N#Cc1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccccn2)cc1 ZINC000025416717 453770640 /nfs/dbraw/zinc/77/06/40/453770640.db2.gz CIRSYWWBUBRXSC-OAQYLSRUSA-N 1 2 342.402 3.271 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccs1 ZINC000025799940 453786411 /nfs/dbraw/zinc/78/64/11/453786411.db2.gz GCOWGUVQGWVMSV-UHFFFAOYSA-N 1 2 331.397 3.283 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccs1 ZINC000025799940 453786415 /nfs/dbraw/zinc/78/64/15/453786415.db2.gz GCOWGUVQGWVMSV-UHFFFAOYSA-N 1 2 331.397 3.283 20 30 EGEDLO N#CC1(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCCC1 ZINC000032079659 453864167 /nfs/dbraw/zinc/86/41/67/453864167.db2.gz LCVGGDLZHSQSQZ-UHFFFAOYSA-N 1 2 331.847 3.068 20 30 EGEDLO COc1ccc(Br)cc1C[N@H+](C)C[C@@H](C#N)CCC#N ZINC000032514477 453877076 /nfs/dbraw/zinc/87/70/76/453877076.db2.gz ADKCGHOKHSYJAO-GFCCVEGCSA-N 1 2 336.233 3.333 20 30 EGEDLO COc1ccc(Br)cc1C[N@@H+](C)C[C@@H](C#N)CCC#N ZINC000032514477 453877079 /nfs/dbraw/zinc/87/70/79/453877079.db2.gz ADKCGHOKHSYJAO-GFCCVEGCSA-N 1 2 336.233 3.333 20 30 EGEDLO N#Cc1cccc(NC(=O)NCc2[nH+]ccn2CCc2ccccc2)c1 ZINC000081521827 453882985 /nfs/dbraw/zinc/88/29/85/453882985.db2.gz RSNWGXHIODKZLO-UHFFFAOYSA-N 1 2 345.406 3.319 20 30 EGEDLO C=C(C)COc1cccc(NC(=O)NCCCCn2cc[nH+]c2)c1 ZINC000067320891 453921486 /nfs/dbraw/zinc/92/14/86/453921486.db2.gz IAOPGCHMKREYAO-UHFFFAOYSA-N 1 2 328.416 3.440 20 30 EGEDLO Cc1ncsc1C[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075719553 453922328 /nfs/dbraw/zinc/92/23/28/453922328.db2.gz PPTQOMJEDVRIRC-UHFFFAOYSA-N 1 2 325.397 3.005 20 30 EGEDLO Cc1ncsc1C[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075719553 453922331 /nfs/dbraw/zinc/92/23/31/453922331.db2.gz PPTQOMJEDVRIRC-UHFFFAOYSA-N 1 2 325.397 3.005 20 30 EGEDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C#N)c1ccccc1F ZINC000076645571 454021628 /nfs/dbraw/zinc/02/16/28/454021628.db2.gz LHDFVAUFKPHCDM-INIZCTEOSA-N 1 2 336.370 3.119 20 30 EGEDLO N#CC1(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CCCCC1 ZINC000057429669 454127760 /nfs/dbraw/zinc/12/77/60/454127760.db2.gz WYHTWYCYBJDDLK-UHFFFAOYSA-N 1 2 336.439 3.064 20 30 EGEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(C#N)CC1 ZINC000057880960 454154918 /nfs/dbraw/zinc/15/49/18/454154918.db2.gz VAPJGZAWVGYLRT-GFCCVEGCSA-N 1 2 335.835 3.220 20 30 EGEDLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CCC(C#N)CC1 ZINC000057906808 454156157 /nfs/dbraw/zinc/15/61/57/454156157.db2.gz UWDUJHULKRBYLQ-UHFFFAOYSA-N 1 2 340.254 3.187 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(C#N)CC1 ZINC000057907917 454156186 /nfs/dbraw/zinc/15/61/86/454156186.db2.gz HLEGGJVWFGWUGP-LLVKDONJSA-N 1 2 325.334 3.268 20 30 EGEDLO C[C@@H]1CCN(C(=O)C[NH+]2CCC(C#N)CC2)c2ccccc2S1 ZINC000057907530 454156608 /nfs/dbraw/zinc/15/66/08/454156608.db2.gz ALBXDHQPDHNXJM-CQSZACIVSA-N 1 2 329.469 3.139 20 30 EGEDLO Cc1oc(C)c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000045529581 454165578 /nfs/dbraw/zinc/16/55/78/454165578.db2.gz QUTBTLVFCJBCPM-UHFFFAOYSA-N 1 2 337.423 3.035 20 30 EGEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000045753532 454177724 /nfs/dbraw/zinc/17/77/24/454177724.db2.gz IRRWCLHWITUIFK-PKOBYXMFSA-N 1 2 343.471 3.049 20 30 EGEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000045753532 454177726 /nfs/dbraw/zinc/17/77/26/454177726.db2.gz IRRWCLHWITUIFK-PKOBYXMFSA-N 1 2 343.471 3.049 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)Nc1ccc(CC#N)cc1 ZINC000078323158 454231309 /nfs/dbraw/zinc/23/13/09/454231309.db2.gz QJPFJBZFECMABH-UHFFFAOYSA-N 1 2 333.395 3.233 20 30 EGEDLO CC[N@@H+](CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)C[C@@H](C)C#N ZINC000060038276 454265980 /nfs/dbraw/zinc/26/59/80/454265980.db2.gz RMZVYRNDJOBBEI-LBPRGKRZSA-N 1 2 342.270 3.433 20 30 EGEDLO N#Cc1cccc(NC(=O)NCCNc2ccc3ccccc3[nH+]2)c1 ZINC000060062169 454267130 /nfs/dbraw/zinc/26/71/30/454267130.db2.gz YASRQTSCDGPARA-UHFFFAOYSA-N 1 2 331.379 3.340 20 30 EGEDLO CO/N=C/c1ccc(C(=O)Nc2c[nH+]ccc2OC(C)(C)C)cc1 ZINC000131852291 454291342 /nfs/dbraw/zinc/29/13/42/454291342.db2.gz ALIHMODPHKUAPU-RGVLZGJSSA-N 1 2 327.384 3.492 20 30 EGEDLO CCn1cc(C[N@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)cn1 ZINC000072980628 454375773 /nfs/dbraw/zinc/37/57/73/454375773.db2.gz DXIHAXHNJGTVCV-UHFFFAOYSA-N 1 2 349.438 3.086 20 30 EGEDLO CCn1cc(C[N@@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)cn1 ZINC000072980628 454375780 /nfs/dbraw/zinc/37/57/80/454375780.db2.gz DXIHAXHNJGTVCV-UHFFFAOYSA-N 1 2 349.438 3.086 20 30 EGEDLO Cc1nn(-c2ccccc2)c(CN2CCC(n3cc[nH+]c3)CC2)c1C#N ZINC000091071958 454376742 /nfs/dbraw/zinc/37/67/42/454376742.db2.gz QNASZQCNRLFIBE-UHFFFAOYSA-N 1 2 346.438 3.086 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000121030965 454379948 /nfs/dbraw/zinc/37/99/48/454379948.db2.gz GKULFGFXOSHVPP-AWEZNQCLSA-N 1 2 336.505 3.330 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000121030965 454379954 /nfs/dbraw/zinc/37/99/54/454379954.db2.gz GKULFGFXOSHVPP-AWEZNQCLSA-N 1 2 336.505 3.330 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1OC ZINC000121236927 454410393 /nfs/dbraw/zinc/41/03/93/454410393.db2.gz QRDLVFDOJZKTGK-MRXNPFEDSA-N 1 2 327.428 3.363 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1OC ZINC000121236927 454410399 /nfs/dbraw/zinc/41/03/99/454410399.db2.gz QRDLVFDOJZKTGK-MRXNPFEDSA-N 1 2 327.428 3.363 20 30 EGEDLO CCc1cccc(C)c1NC(=O)CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000063457757 454415117 /nfs/dbraw/zinc/41/51/17/454415117.db2.gz WIYCMIGXHVSRMQ-UHFFFAOYSA-N 1 2 343.402 3.281 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000073614322 454457318 /nfs/dbraw/zinc/45/73/18/454457318.db2.gz NXCVMUYIMFIZEW-OAQYLSRUSA-N 1 2 335.451 3.094 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000073614322 454457321 /nfs/dbraw/zinc/45/73/21/454457321.db2.gz NXCVMUYIMFIZEW-OAQYLSRUSA-N 1 2 335.451 3.094 20 30 EGEDLO C=CCn1c(SCCn2cc[nH+]c2)nnc1-c1ccc(OC)cc1 ZINC000121859281 454485985 /nfs/dbraw/zinc/48/59/85/454485985.db2.gz BJXGDVQWHWNHHA-UHFFFAOYSA-N 1 2 341.440 3.129 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)CCC(F)(F)F)c1 ZINC000064635344 454496536 /nfs/dbraw/zinc/49/65/36/454496536.db2.gz HFWITMBTLXBOMM-UHFFFAOYSA-N 1 2 341.377 3.434 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)CCC(F)(F)F)c1 ZINC000064635344 454496540 /nfs/dbraw/zinc/49/65/40/454496540.db2.gz HFWITMBTLXBOMM-UHFFFAOYSA-N 1 2 341.377 3.434 20 30 EGEDLO CC(C)(C)c1noc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000104713052 454598178 /nfs/dbraw/zinc/59/81/78/454598178.db2.gz NJFDKCBWFPWUML-UHFFFAOYSA-N 1 2 340.427 3.282 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000051877935 454640241 /nfs/dbraw/zinc/64/02/41/454640241.db2.gz QHDDVBGPPDCRQF-ZDUSSCGKSA-N 1 2 330.457 3.051 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000051877935 454640245 /nfs/dbraw/zinc/64/02/45/454640245.db2.gz QHDDVBGPPDCRQF-ZDUSSCGKSA-N 1 2 330.457 3.051 20 30 EGEDLO C=CCOc1ccc(C[N@@H+](CC)[C@H](C)CS(C)(=O)=O)cc1Cl ZINC000093390068 454710834 /nfs/dbraw/zinc/71/08/34/454710834.db2.gz FDNBOZSGWVIMAB-CYBMUJFWSA-N 1 2 345.892 3.160 20 30 EGEDLO C=CCOc1ccc(C[N@H+](CC)[C@H](C)CS(C)(=O)=O)cc1Cl ZINC000093390068 454710837 /nfs/dbraw/zinc/71/08/37/454710837.db2.gz FDNBOZSGWVIMAB-CYBMUJFWSA-N 1 2 345.892 3.160 20 30 EGEDLO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)CS(=O)(=O)CC)cc1Cl ZINC000093416741 454713334 /nfs/dbraw/zinc/71/33/34/454713334.db2.gz XJZVKWINQLEZAQ-ZDUSSCGKSA-N 1 2 345.892 3.160 20 30 EGEDLO C=CCOc1ccc(C[N@H+](C)[C@@H](C)CS(=O)(=O)CC)cc1Cl ZINC000093416741 454713339 /nfs/dbraw/zinc/71/33/39/454713339.db2.gz XJZVKWINQLEZAQ-ZDUSSCGKSA-N 1 2 345.892 3.160 20 30 EGEDLO CO[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000108366083 454794502 /nfs/dbraw/zinc/79/45/02/454794502.db2.gz CUYBJEPOWMLLDF-GJZGRUSLSA-N 1 2 347.484 3.130 20 30 EGEDLO CO[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000108366083 454794504 /nfs/dbraw/zinc/79/45/04/454794504.db2.gz CUYBJEPOWMLLDF-GJZGRUSLSA-N 1 2 347.484 3.130 20 30 EGEDLO C[N@H+](Cc1cn(-c2ccc(Cl)cc2)nn1)Cc1ccc(C#N)cc1 ZINC000162761058 454799074 /nfs/dbraw/zinc/79/90/74/454799074.db2.gz ZSNUPNKEQLDAPZ-UHFFFAOYSA-N 1 2 337.814 3.424 20 30 EGEDLO C[N@@H+](Cc1cn(-c2ccc(Cl)cc2)nn1)Cc1ccc(C#N)cc1 ZINC000162761058 454799076 /nfs/dbraw/zinc/79/90/76/454799076.db2.gz ZSNUPNKEQLDAPZ-UHFFFAOYSA-N 1 2 337.814 3.424 20 30 EGEDLO C[C@@H](C#N)NC(=O)c1ccc(SCc2cn3ccccc3[nH+]2)cc1 ZINC000125510606 454828211 /nfs/dbraw/zinc/82/82/11/454828211.db2.gz MVBXPEVVUHXWEW-ZDUSSCGKSA-N 1 2 336.420 3.268 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CCS[C@@H](C(C)C)C2)c(C#N)c1C ZINC000177355519 454855959 /nfs/dbraw/zinc/85/59/59/454855959.db2.gz BCPLUSUFDZVLQP-CQSZACIVSA-N 1 2 337.514 3.249 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CCS[C@@H](C(C)C)C2)c(C#N)c1C ZINC000177355519 454855962 /nfs/dbraw/zinc/85/59/62/454855962.db2.gz BCPLUSUFDZVLQP-CQSZACIVSA-N 1 2 337.514 3.249 20 30 EGEDLO C=CC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000111257308 454859473 /nfs/dbraw/zinc/85/94/73/454859473.db2.gz XLGJFPGPRYYGFS-LLVKDONJSA-N 1 2 337.807 3.473 20 30 EGEDLO Cn1ccnc1[C@@H]([NH2+]Cc1cc(C#N)cs1)c1cccc(F)c1 ZINC000177683884 454891974 /nfs/dbraw/zinc/89/19/74/454891974.db2.gz VUAYMIJBUVRUIO-INIZCTEOSA-N 1 2 326.400 3.372 20 30 EGEDLO C[N@H+](CCOCc1ccccc1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000154651776 454915961 /nfs/dbraw/zinc/91/59/61/454915961.db2.gz SIPMBYGRHKXVLY-UHFFFAOYSA-N 1 2 348.406 3.257 20 30 EGEDLO C[N@@H+](CCOCc1ccccc1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000154651776 454915964 /nfs/dbraw/zinc/91/59/64/454915964.db2.gz SIPMBYGRHKXVLY-UHFFFAOYSA-N 1 2 348.406 3.257 20 30 EGEDLO C=CCNC(=O)[C@H](C)[N@H+](CC)Cc1cc(Br)ccc1F ZINC000155154443 454968788 /nfs/dbraw/zinc/96/87/88/454968788.db2.gz BYFBLJBZZZOLFJ-NSHDSACASA-N 1 2 343.240 3.101 20 30 EGEDLO C=CCNC(=O)[C@H](C)[N@@H+](CC)Cc1cc(Br)ccc1F ZINC000155154443 454968792 /nfs/dbraw/zinc/96/87/92/454968792.db2.gz BYFBLJBZZZOLFJ-NSHDSACASA-N 1 2 343.240 3.101 20 30 EGEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000114723662 454972273 /nfs/dbraw/zinc/97/22/73/454972273.db2.gz OKNIPLKBYSIHJR-UHFFFAOYSA-N 1 2 338.333 3.194 20 30 EGEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000114723662 454972276 /nfs/dbraw/zinc/97/22/76/454972276.db2.gz OKNIPLKBYSIHJR-UHFFFAOYSA-N 1 2 338.333 3.194 20 30 EGEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000155290586 454984652 /nfs/dbraw/zinc/98/46/52/454984652.db2.gz AHUONGFLMCKDKU-OAQYLSRUSA-N 1 2 345.446 3.345 20 30 EGEDLO CCCCc1[nH]c2ccc(NC(=O)C3(C#N)CCOCC3)cc2[nH+]1 ZINC000171763596 455092705 /nfs/dbraw/zinc/09/27/05/455092705.db2.gz KDPHVSRYZVIBRU-UHFFFAOYSA-N 1 2 326.400 3.164 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000180125261 455136526 /nfs/dbraw/zinc/13/65/26/455136526.db2.gz GEDZGFZGCVQCOL-OAHLLOKOSA-N 1 2 334.410 3.239 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000180125261 455136528 /nfs/dbraw/zinc/13/65/28/455136528.db2.gz GEDZGFZGCVQCOL-OAHLLOKOSA-N 1 2 334.410 3.239 20 30 EGEDLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)NC[C@@H](C)C#N)CC1 ZINC000182820123 455171629 /nfs/dbraw/zinc/17/16/29/455171629.db2.gz QMEJAXHLDUODPY-AWEZNQCLSA-N 1 2 339.443 3.105 20 30 EGEDLO N#Cc1ccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000264766299 455279368 /nfs/dbraw/zinc/27/93/68/455279368.db2.gz VFEXTYKCYCQHEA-LBPRGKRZSA-N 1 2 329.791 3.346 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)N1CCc2ccccc2C1 ZINC000173553777 455304740 /nfs/dbraw/zinc/30/47/40/455304740.db2.gz HODWTUBAPTYERJ-UHFFFAOYSA-N 1 2 327.472 3.223 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)N1CCc2ccccc2C1 ZINC000173553777 455304745 /nfs/dbraw/zinc/30/47/45/455304745.db2.gz HODWTUBAPTYERJ-UHFFFAOYSA-N 1 2 327.472 3.223 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1nccc(OC)c1OC ZINC000190418783 455311890 /nfs/dbraw/zinc/31/18/90/455311890.db2.gz KUHVQTKFSWYZGM-UHFFFAOYSA-N 1 2 328.412 3.296 20 30 EGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1nccc(OC)c1OC ZINC000190418783 455311895 /nfs/dbraw/zinc/31/18/95/455311895.db2.gz KUHVQTKFSWYZGM-UHFFFAOYSA-N 1 2 328.412 3.296 20 30 EGEDLO C=CC[N@@H+](CCOC)Cc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000191092228 455441329 /nfs/dbraw/zinc/44/13/29/455441329.db2.gz OYEHVESCPNLSQK-GFCCVEGCSA-N 1 2 346.500 3.033 20 30 EGEDLO C=CC[N@H+](CCOC)Cc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000191092228 455441330 /nfs/dbraw/zinc/44/13/30/455441330.db2.gz OYEHVESCPNLSQK-GFCCVEGCSA-N 1 2 346.500 3.033 20 30 EGEDLO C=CC[N@@H+](CCOC)CC(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000191117397 455446250 /nfs/dbraw/zinc/44/62/50/455446250.db2.gz LIGIZNQZCNXZAX-UHFFFAOYSA-N 1 2 330.428 3.063 20 30 EGEDLO C=CC[N@H+](CCOC)CC(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000191117397 455446258 /nfs/dbraw/zinc/44/62/58/455446258.db2.gz LIGIZNQZCNXZAX-UHFFFAOYSA-N 1 2 330.428 3.063 20 30 EGEDLO C=CCOc1cccc(C[N@H+]2CCSC[C@@H]2c2cnn(C)c2)c1 ZINC000191754914 455517431 /nfs/dbraw/zinc/51/74/31/455517431.db2.gz SERNKPPWZSINGF-GOSISDBHSA-N 1 2 329.469 3.275 20 30 EGEDLO C=CCOc1cccc(C[N@@H+]2CCSC[C@@H]2c2cnn(C)c2)c1 ZINC000191754914 455517434 /nfs/dbraw/zinc/51/74/34/455517434.db2.gz SERNKPPWZSINGF-GOSISDBHSA-N 1 2 329.469 3.275 20 30 EGEDLO N#Cc1cccc(-c2csc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)n2)c1 ZINC000161150294 455541135 /nfs/dbraw/zinc/54/11/35/455541135.db2.gz PEKJPQKSDWHQLI-AWEZNQCLSA-N 1 2 349.419 3.079 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCSC[C@H]1C ZINC000247117806 455561694 /nfs/dbraw/zinc/56/16/94/455561694.db2.gz PNEAGJIJFAPVCR-ZIAGYGMSSA-N 1 2 349.525 3.457 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCSC[C@H]1C ZINC000247117806 455561696 /nfs/dbraw/zinc/56/16/96/455561696.db2.gz PNEAGJIJFAPVCR-ZIAGYGMSSA-N 1 2 349.525 3.457 20 30 EGEDLO C=CCN(C)C(=O)c1ccccc1OCc1cn2cc(C)ccc2[nH+]1 ZINC000161447926 455571352 /nfs/dbraw/zinc/57/13/52/455571352.db2.gz SHPKTWJEKCUKJU-UHFFFAOYSA-N 1 2 335.407 3.480 20 30 EGEDLO C=C(C)Cn1c(SCCCn2cc[nH+]c2)nnc1-c1ccncc1 ZINC000185620104 455585577 /nfs/dbraw/zinc/58/55/77/455585577.db2.gz SQOQZCNUJXBXGX-UHFFFAOYSA-N 1 2 340.456 3.295 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c1 ZINC000292235597 455603813 /nfs/dbraw/zinc/60/38/13/455603813.db2.gz PVWVZZHUYNMWNN-UHFFFAOYSA-N 1 2 341.361 3.100 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c1 ZINC000292235597 455603816 /nfs/dbraw/zinc/60/38/16/455603816.db2.gz PVWVZZHUYNMWNN-UHFFFAOYSA-N 1 2 341.361 3.100 20 30 EGEDLO CC[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@@H](C)O1 ZINC000247675494 455636906 /nfs/dbraw/zinc/63/69/06/455636906.db2.gz QWBVWRQWUGTTGV-SJLPKXTDSA-N 1 2 343.471 3.049 20 30 EGEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@@H](C)O1 ZINC000247675494 455636912 /nfs/dbraw/zinc/63/69/12/455636912.db2.gz QWBVWRQWUGTTGV-SJLPKXTDSA-N 1 2 343.471 3.049 20 30 EGEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(=Cc2ccccc2F)CC1)C1CC1 ZINC000268316461 455648743 /nfs/dbraw/zinc/64/87/43/455648743.db2.gz JHSYEKWSRHOHSU-FQEVSTJZSA-N 1 2 341.430 3.113 20 30 EGEDLO Cc1nc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c(Cl)cc1C#N ZINC000292583771 455704574 /nfs/dbraw/zinc/70/45/74/455704574.db2.gz LFMOUSIEWWYLKI-AWEZNQCLSA-N 1 2 341.846 3.193 20 30 EGEDLO Cc1nc(N2CCc3c([nH+]c(C(C)C)n3C)C2)c(Cl)cc1C#N ZINC000292600025 455708488 /nfs/dbraw/zinc/70/84/88/455708488.db2.gz MFEPIMNBSPFXRK-UHFFFAOYSA-N 1 2 329.835 3.335 20 30 EGEDLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000271694792 455725212 /nfs/dbraw/zinc/72/52/12/455725212.db2.gz SDPFBWWXVCYBEQ-OAHLLOKOSA-N 1 2 332.411 3.002 20 30 EGEDLO N#C[C@H](C(=O)c1ccc(-n2cc[nH+]c2)cc1)c1nc2ccccc2[nH]1 ZINC000193257873 455749864 /nfs/dbraw/zinc/74/98/64/455749864.db2.gz LRQBVUJRIZGAEP-OAHLLOKOSA-N 1 2 327.347 3.239 20 30 EGEDLO CN(C)c1cc(C#N)cc(C(=O)Nc2c[nH+]ccc2OC(C)(C)C)c1 ZINC000293574670 455790928 /nfs/dbraw/zinc/79/09/28/455790928.db2.gz QLDASIVJEOZMDW-UHFFFAOYSA-N 1 2 338.411 3.449 20 30 EGEDLO C#C[C@H](NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000294207263 455808347 /nfs/dbraw/zinc/80/83/47/455808347.db2.gz LWLUMJCDCRZVTJ-NUJGCVRESA-N 1 2 343.471 3.075 20 30 EGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@]2(C#N)CC23CCCC3)c1C ZINC000294725944 455824514 /nfs/dbraw/zinc/82/45/14/455824514.db2.gz MYXAWAOYSJSMAW-LJQANCHMSA-N 1 2 327.428 3.140 20 30 EGEDLO CC(C)(C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cc(F)cc(C#N)c1 ZINC000285405567 455838502 /nfs/dbraw/zinc/83/85/02/455838502.db2.gz UHUUSJBGBUUPQT-CQSZACIVSA-N 1 2 340.402 3.104 20 30 EGEDLO N#Cc1sc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)nc1Cl ZINC000278777835 455848549 /nfs/dbraw/zinc/84/85/49/455848549.db2.gz VOEOQCFBHQBPHA-ZDUSSCGKSA-N 1 2 348.859 3.154 20 30 EGEDLO Cc1ccn2cc(CNC(=O)N[C@H](CCC#N)c3ccccc3)[nH+]c2c1 ZINC000269643981 455851260 /nfs/dbraw/zinc/85/12/60/455851260.db2.gz YIHQUMSMIVICAF-GOSISDBHSA-N 1 2 347.422 3.487 20 30 EGEDLO Cc1ccn2cc(CNC(=O)N[C@@H](CCC#N)c3ccccc3)[nH+]c2c1 ZINC000269643986 455851527 /nfs/dbraw/zinc/85/15/27/455851527.db2.gz YIHQUMSMIVICAF-SFHVURJKSA-N 1 2 347.422 3.487 20 30 EGEDLO Cc1cccc2[nH+]c(CNC(=O)NC3(c4cccc(C#N)c4)CC3)cn21 ZINC000269660183 455851742 /nfs/dbraw/zinc/85/17/42/455851742.db2.gz JTNAQVRFZOPXND-UHFFFAOYSA-N 1 2 345.406 3.003 20 30 EGEDLO C=C[C@@](C)(O)CC(=O)N1CCC(n2c(CC)[nH+]c3ccccc32)CC1 ZINC000279149271 455858823 /nfs/dbraw/zinc/85/88/23/455858823.db2.gz ANBAAOXBRWTUOX-HXUWFJFHSA-N 1 2 341.455 3.089 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2c(F)cncc2F)c(C#N)c1C ZINC000285508182 455860359 /nfs/dbraw/zinc/86/03/59/455860359.db2.gz DFBFLVVBPOVPNE-ZJUUUORDSA-N 1 2 348.353 3.119 20 30 EGEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3cccc(N4CCOC4=O)c3)n2c1 ZINC000255441448 455867087 /nfs/dbraw/zinc/86/70/87/455867087.db2.gz SRUCDOUETUPYHP-SREVYHEPSA-N 1 2 347.374 3.495 20 30 EGEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1cccc(N2CCOC2=O)c1 ZINC000255660196 455872212 /nfs/dbraw/zinc/87/22/12/455872212.db2.gz HDWIJEYFCYKSLB-FPLPWBNLSA-N 1 2 333.347 3.187 20 30 EGEDLO Cc1ccc2[nH+]c(COc3cccc(C(=O)N[C@H](C)CC#N)c3)cn2c1 ZINC000194713080 455875432 /nfs/dbraw/zinc/87/54/32/455875432.db2.gz OHHLUOJOHPXDFJ-OAHLLOKOSA-N 1 2 348.406 3.254 20 30 EGEDLO C=CC[N@@H+](CCc1cccc(Cl)c1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000280051598 455882871 /nfs/dbraw/zinc/88/28/71/455882871.db2.gz OZVPVCIIJSOONC-CYBMUJFWSA-N 1 2 348.295 3.211 20 30 EGEDLO C=CC[N@H+](CCc1cccc(Cl)c1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000280051598 455882875 /nfs/dbraw/zinc/88/28/75/455882875.db2.gz OZVPVCIIJSOONC-CYBMUJFWSA-N 1 2 348.295 3.211 20 30 EGEDLO COCC[N@H+](Cc1cc(-c2ccco2)on1)Cc1ccc(C#N)cc1 ZINC000195001634 455911327 /nfs/dbraw/zinc/91/13/27/455911327.db2.gz OUKJTHCRSZNJRN-UHFFFAOYSA-N 1 2 337.379 3.455 20 30 EGEDLO COCC[N@@H+](Cc1cc(-c2ccco2)on1)Cc1ccc(C#N)cc1 ZINC000195001634 455911333 /nfs/dbraw/zinc/91/13/33/455911333.db2.gz OUKJTHCRSZNJRN-UHFFFAOYSA-N 1 2 337.379 3.455 20 30 EGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@](C)(C#N)CC ZINC000286272516 456013893 /nfs/dbraw/zinc/01/38/93/456013893.db2.gz VJWWQAQYCDNYAZ-IBGZPJMESA-N 1 2 328.460 3.086 20 30 EGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@](C)(C#N)CC ZINC000286272523 456014080 /nfs/dbraw/zinc/01/40/80/456014080.db2.gz VJWWQAQYCDNYAZ-LJQANCHMSA-N 1 2 328.460 3.086 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)Nc2ccc(F)cc2C#N)CC1(C)C ZINC000296773361 456034195 /nfs/dbraw/zinc/03/41/95/456034195.db2.gz ZLJGNQNSFSNGTC-AWEZNQCLSA-N 1 2 327.363 3.046 20 30 EGEDLO C=CCCCCCCCCNC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000288217433 456089919 /nfs/dbraw/zinc/08/99/19/456089919.db2.gz RHOIWABBDKZHBR-UHFFFAOYSA-N 1 2 333.432 3.062 20 30 EGEDLO C#CC[C@@]1(C(=O)Nc2cc[nH+]cc2C)CCCN1C(=O)OC(C)(C)C ZINC000289364233 456123621 /nfs/dbraw/zinc/12/36/21/456123621.db2.gz KSEDVGQZRYUTQX-IBGZPJMESA-N 1 2 343.427 3.122 20 30 EGEDLO COc1ccc(OCc2ccccn2)c(C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000271124624 456132638 /nfs/dbraw/zinc/13/26/38/456132638.db2.gz JZSZAICIVWRNSD-HNNXBMFYSA-N 1 2 325.412 3.261 20 30 EGEDLO COc1ccc(OCc2ccccn2)c(C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000271124624 456132646 /nfs/dbraw/zinc/13/26/46/456132646.db2.gz JZSZAICIVWRNSD-HNNXBMFYSA-N 1 2 325.412 3.261 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2csc(-c3ccsc3)n2)C1=O ZINC000281127845 456140081 /nfs/dbraw/zinc/14/00/81/456140081.db2.gz CQHDCJZSMWGKIW-AWEZNQCLSA-N 1 2 333.482 3.090 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2csc(-c3ccsc3)n2)C1=O ZINC000281127845 456140087 /nfs/dbraw/zinc/14/00/87/456140087.db2.gz CQHDCJZSMWGKIW-AWEZNQCLSA-N 1 2 333.482 3.090 20 30 EGEDLO C#Cc1ccccc1CC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000289825825 456146373 /nfs/dbraw/zinc/14/63/73/456146373.db2.gz AKFLBHBKRQUYKJ-UHFFFAOYSA-N 1 2 347.462 3.302 20 30 EGEDLO N#CC1(CCC[N@@H+]2CCSC[C@@H]2c2nccs2)CCOCC1 ZINC000281530464 456258598 /nfs/dbraw/zinc/25/85/98/456258598.db2.gz ZZNBZQHLZUECLR-CQSZACIVSA-N 1 2 337.514 3.334 20 30 EGEDLO N#CC1(CCC[N@H+]2CCSC[C@@H]2c2nccs2)CCOCC1 ZINC000281530464 456258601 /nfs/dbraw/zinc/25/86/01/456258601.db2.gz ZZNBZQHLZUECLR-CQSZACIVSA-N 1 2 337.514 3.334 20 30 EGEDLO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000352795343 456315635 /nfs/dbraw/zinc/31/56/35/456315635.db2.gz IOTCOESQGUBHRY-QMMMGPOBSA-N 1 2 343.378 3.241 20 30 EGEDLO C(#Cc1ccccc1)CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000337504686 456357181 /nfs/dbraw/zinc/35/71/81/456357181.db2.gz DPDFJODEPBZIMS-UHFFFAOYSA-N 1 2 325.375 3.279 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NC1CCCC1 ZINC000352900332 456400022 /nfs/dbraw/zinc/40/00/22/456400022.db2.gz GYLRTFZQYUNGMF-INIZCTEOSA-N 1 2 332.492 3.289 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NC1CCCC1 ZINC000352900332 456400024 /nfs/dbraw/zinc/40/00/24/456400024.db2.gz GYLRTFZQYUNGMF-INIZCTEOSA-N 1 2 332.492 3.289 20 30 EGEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000298260600 456407896 /nfs/dbraw/zinc/40/78/96/456407896.db2.gz VNTDVURFIUWTTR-LBPRGKRZSA-N 1 2 340.254 3.443 20 30 EGEDLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC(F)(C#N)CC1 ZINC000343237647 456473320 /nfs/dbraw/zinc/47/33/20/456473320.db2.gz LJDMDOMKIBWHDS-UHFFFAOYSA-N 1 2 327.359 3.244 20 30 EGEDLO COc1ccccc1[C@@H](C)NC(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000348119232 456497178 /nfs/dbraw/zinc/49/71/78/456497178.db2.gz NQZSDRPRTFIPMI-OAHLLOKOSA-N 1 2 331.460 3.134 20 30 EGEDLO COc1ccccc1[C@@H](C)NC(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000348119232 456497180 /nfs/dbraw/zinc/49/71/80/456497180.db2.gz NQZSDRPRTFIPMI-OAHLLOKOSA-N 1 2 331.460 3.134 20 30 EGEDLO CC(=O)NCC[N@H+](CC#Cc1ccc(Cl)cc1)Cc1ccsc1 ZINC000282393152 456499779 /nfs/dbraw/zinc/49/97/79/456499779.db2.gz DRVKUPYYAVVJEI-UHFFFAOYSA-N 1 2 346.883 3.391 20 30 EGEDLO CC(=O)NCC[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1ccsc1 ZINC000282393152 456499780 /nfs/dbraw/zinc/49/97/80/456499780.db2.gz DRVKUPYYAVVJEI-UHFFFAOYSA-N 1 2 346.883 3.391 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)c1F ZINC000340763777 456673422 /nfs/dbraw/zinc/67/34/22/456673422.db2.gz PTEVGUALINAAFO-UHFFFAOYSA-N 1 2 332.382 3.441 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)c1F ZINC000340763777 456673430 /nfs/dbraw/zinc/67/34/30/456673430.db2.gz PTEVGUALINAAFO-UHFFFAOYSA-N 1 2 332.382 3.441 20 30 EGEDLO Cc1cccc([C@H](CNc2nccc(C)c2C#N)[NH+]2CCOCC2)c1 ZINC000343522983 456680607 /nfs/dbraw/zinc/68/06/07/456680607.db2.gz XEGZCTVFLKFGEI-IBGZPJMESA-N 1 2 336.439 3.056 20 30 EGEDLO C[C@H]([C@H](C)NC(=O)c1coc(C2CCCCC2)n1)[NH+]1CCOCC1 ZINC000328681028 456735117 /nfs/dbraw/zinc/73/51/17/456735117.db2.gz NZZZOYLVUAZPRM-UONOGXRCSA-N 1 2 335.448 3.136 20 30 EGEDLO CC[C@H](C(=O)Nc1ccc(N2CCCC2)cn1)[N@@H+]1CCO[C@H](CC)C1 ZINC000328792750 456763279 /nfs/dbraw/zinc/76/32/79/456763279.db2.gz ROGYCMDJYVQSGT-IAGOWNOFSA-N 1 2 346.475 3.159 20 30 EGEDLO CC[C@H](C(=O)Nc1ccc(N2CCCC2)cn1)[N@H+]1CCO[C@H](CC)C1 ZINC000328792750 456763286 /nfs/dbraw/zinc/76/32/86/456763286.db2.gz ROGYCMDJYVQSGT-IAGOWNOFSA-N 1 2 346.475 3.159 20 30 EGEDLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1ccc(C#N)cc1Cl ZINC000338319229 456768052 /nfs/dbraw/zinc/76/80/52/456768052.db2.gz CKLRUZMAHPQBGR-UHFFFAOYSA-N 1 2 347.871 3.411 20 30 EGEDLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1ccc(C#N)cc1Cl ZINC000338319229 456768058 /nfs/dbraw/zinc/76/80/58/456768058.db2.gz CKLRUZMAHPQBGR-UHFFFAOYSA-N 1 2 347.871 3.411 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cnc(C(C)(C)C)nc1 ZINC000348630966 456787995 /nfs/dbraw/zinc/78/79/95/456787995.db2.gz BTUWJFZUWQKWBA-UHFFFAOYSA-N 1 2 329.444 3.438 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cnc(C(C)(C)C)nc1 ZINC000348630966 456788000 /nfs/dbraw/zinc/78/80/00/456788000.db2.gz BTUWJFZUWQKWBA-UHFFFAOYSA-N 1 2 329.444 3.438 20 30 EGEDLO C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000328924609 456791866 /nfs/dbraw/zinc/79/18/66/456791866.db2.gz VNIQYXARCXTXDY-SNVBAGLBSA-N 1 2 344.440 3.117 20 30 EGEDLO C=C(C)Cn1c(N2CC[NH+](Cc3ccco3)CC2)nnc1C(C)(C)C ZINC000283510364 456794368 /nfs/dbraw/zinc/79/43/68/456794368.db2.gz FIYGWGHMYYSGOZ-UHFFFAOYSA-N 1 2 343.475 3.067 20 30 EGEDLO CC(C)c1ccccc1NC(=O)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000328964467 456803178 /nfs/dbraw/zinc/80/31/78/456803178.db2.gz LXMMCZDQYIBSGE-UHOSZYNNSA-N 1 2 346.471 3.260 20 30 EGEDLO CC(C)c1ccccc1NC(=O)C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000328964467 456803184 /nfs/dbraw/zinc/80/31/84/456803184.db2.gz LXMMCZDQYIBSGE-UHOSZYNNSA-N 1 2 346.471 3.260 20 30 EGEDLO C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000329102501 456834655 /nfs/dbraw/zinc/83/46/55/456834655.db2.gz BTOLDUUUGUWZKD-ZFWWWQNUSA-N 1 2 332.448 3.389 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CCC(F)(F)C1)C1CCOCC1 ZINC000329122453 456838524 /nfs/dbraw/zinc/83/85/24/456838524.db2.gz KWSBYNLRTCNCNM-CHWSQXEVSA-N 1 2 327.375 3.280 20 30 EGEDLO O=C(CC1CCCC1)NC1CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC000329172563 456847592 /nfs/dbraw/zinc/84/75/92/456847592.db2.gz AHSHCNBMEKWIIM-UHFFFAOYSA-N 1 2 332.448 3.448 20 30 EGEDLO C=C(C)Cn1c(C)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000338800018 456859637 /nfs/dbraw/zinc/85/96/37/456859637.db2.gz MRVGSOZJWNAXRM-UHFFFAOYSA-N 1 2 345.878 3.138 20 30 EGEDLO C=CCn1cccc1C(=O)N1CCC[C@@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000344805890 456862562 /nfs/dbraw/zinc/86/25/62/456862562.db2.gz ULEDUYZLXQSMBL-QGZVFWFLSA-N 1 2 338.455 3.264 20 30 EGEDLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2cccc(OCCCC#N)c2)n1 ZINC000348819708 456870549 /nfs/dbraw/zinc/87/05/49/456870549.db2.gz YMOHQLZFEHBHIR-KRWDZBQOSA-N 1 2 326.400 3.398 20 30 EGEDLO Cc1noc([C@@H]2CCC[N@H+]2Cc2cccc(OCCCC#N)c2)n1 ZINC000348819708 456870555 /nfs/dbraw/zinc/87/05/55/456870555.db2.gz YMOHQLZFEHBHIR-KRWDZBQOSA-N 1 2 326.400 3.398 20 30 EGEDLO C[C@@H]1C[C@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC(=O)N1 ZINC000329341927 456875173 /nfs/dbraw/zinc/87/51/73/456875173.db2.gz PIOMBWPWWMVWBF-HIFRSBDPSA-N 1 2 330.432 3.283 20 30 EGEDLO C[C@H](C(=O)Nc1cc2c(cc1F)CCC(=O)N2)[NH+]1CCSCC1 ZINC000329392210 456884294 /nfs/dbraw/zinc/88/42/94/456884294.db2.gz SAEXABMTRWOAER-SNVBAGLBSA-N 1 2 337.420 3.385 20 30 EGEDLO Cc1ccc2nc(NC(=O)C[N@@H+]3CCOCC4(CC4)C3)sc2c1 ZINC000329449634 456892174 /nfs/dbraw/zinc/89/21/74/456892174.db2.gz LRFNSXIVVGGOJH-UHFFFAOYSA-N 1 2 331.441 3.305 20 30 EGEDLO Cc1ccc2nc(NC(=O)C[N@H+]3CCOCC4(CC4)C3)sc2c1 ZINC000329449634 456892176 /nfs/dbraw/zinc/89/21/76/456892176.db2.gz LRFNSXIVVGGOJH-UHFFFAOYSA-N 1 2 331.441 3.305 20 30 EGEDLO O=C(Nc1cnc2c(c1)CCCC2)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329479034 456896869 /nfs/dbraw/zinc/89/68/69/456896869.db2.gz UZQQWZHXPUFAPE-UHFFFAOYSA-N 1 2 325.416 3.109 20 30 EGEDLO O=C(Nc1cnc2c(c1)CCCC2)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329479034 456896872 /nfs/dbraw/zinc/89/68/72/456896872.db2.gz UZQQWZHXPUFAPE-UHFFFAOYSA-N 1 2 325.416 3.109 20 30 EGEDLO C[C@@H](c1nnc(SCC2(C#N)CC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000349145242 456899774 /nfs/dbraw/zinc/89/97/74/456899774.db2.gz RRBKWPVLIRQLER-LBPRGKRZSA-N 1 2 345.447 3.425 20 30 EGEDLO CN(Cc1[nH+]ccn1C)C(=O)c1ccccc1Oc1ccccc1C#N ZINC000349211868 456914247 /nfs/dbraw/zinc/91/42/47/456914247.db2.gz IHRNFQGNHHSCTP-UHFFFAOYSA-N 1 2 346.390 3.356 20 30 EGEDLO Cc1cccc2[nH+]c(CNC(=O)N[C@H](C)c3ccc(C#N)cc3)cn21 ZINC000345088461 456921213 /nfs/dbraw/zinc/92/12/13/456921213.db2.gz FDVQPQGDFXVFET-CQSZACIVSA-N 1 2 333.395 3.075 20 30 EGEDLO N#CC[C@@H](CC(=O)NCCc1cn2ccccc2[nH+]1)c1ccccc1 ZINC000353855878 456937310 /nfs/dbraw/zinc/93/73/10/456937310.db2.gz HBUBQCAASSNDNM-KRWDZBQOSA-N 1 2 332.407 3.081 20 30 EGEDLO Cc1ccc(NC(=O)NC(=O)C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)cc1C ZINC000329928444 456962639 /nfs/dbraw/zinc/96/26/39/456962639.db2.gz XXOWPHKROSUSKB-RHSMWYFYSA-N 1 2 345.443 3.291 20 30 EGEDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)cc1C ZINC000329928444 456962642 /nfs/dbraw/zinc/96/26/42/456962642.db2.gz XXOWPHKROSUSKB-RHSMWYFYSA-N 1 2 345.443 3.291 20 30 EGEDLO CCN1CCN(C(=O)Nc2ccccc2C(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000330041237 456977646 /nfs/dbraw/zinc/97/76/46/456977646.db2.gz CVQMEJPOUGBYDS-KRWDZBQOSA-N 1 2 341.459 3.457 20 30 EGEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000330094849 456984048 /nfs/dbraw/zinc/98/40/48/456984048.db2.gz UJGWUQVDEWYLRA-NJAFHUGGSA-N 1 2 338.492 3.182 20 30 EGEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000330094849 456984049 /nfs/dbraw/zinc/98/40/49/456984049.db2.gz UJGWUQVDEWYLRA-NJAFHUGGSA-N 1 2 338.492 3.182 20 30 EGEDLO Cc1cccc(C)c1NC(=O)C[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330100521 456984536 /nfs/dbraw/zinc/98/45/36/456984536.db2.gz DXCPLBSNZDBSDJ-APWZRJJASA-N 1 2 332.444 3.161 20 30 EGEDLO Cc1cccc(C)c1NC(=O)C[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330100521 456984538 /nfs/dbraw/zinc/98/45/38/456984538.db2.gz DXCPLBSNZDBSDJ-APWZRJJASA-N 1 2 332.444 3.161 20 30 EGEDLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1)c1cccs1 ZINC000330123394 456988091 /nfs/dbraw/zinc/98/80/91/456988091.db2.gz KYAUPPRHJHSRSJ-CKEIUWERSA-N 1 2 338.473 3.036 20 30 EGEDLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1)c1cccs1 ZINC000330123394 456988096 /nfs/dbraw/zinc/98/80/96/456988096.db2.gz KYAUPPRHJHSRSJ-CKEIUWERSA-N 1 2 338.473 3.036 20 30 EGEDLO Cc1[nH+]ccn1C[C@H](C)CNC([O-])=[NH+][C@@H]1CCOC2(CCCCC2)C1 ZINC000330234419 457009301 /nfs/dbraw/zinc/00/93/01/457009301.db2.gz SQKMWMABGHCLIZ-NVXWUHKLSA-N 1 2 348.491 3.213 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000330249762 457011756 /nfs/dbraw/zinc/01/17/56/457011756.db2.gz GUCLARQSIBYJAD-NCOADZHNSA-N 1 2 346.475 3.302 20 30 EGEDLO C[C@H](NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)C1CCCCC1 ZINC000330322405 457027216 /nfs/dbraw/zinc/02/72/16/457027216.db2.gz GTINSTQWQWILRN-YSVLISHTSA-N 1 2 334.464 3.113 20 30 EGEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(c3ccsc3)CC2)cc1 ZINC000362660043 457030800 /nfs/dbraw/zinc/03/08/00/457030800.db2.gz YGIOCOJRYKSJNQ-KRWDZBQOSA-N 1 2 325.437 3.026 20 30 EGEDLO CC(=O)c1c(C)[nH]c(C(=O)NCC[NH+]2CCSCC2)c1C(C)C ZINC000330397087 457037917 /nfs/dbraw/zinc/03/79/17/457037917.db2.gz OQKPUDUFHSDERC-UHFFFAOYSA-N 1 2 337.489 3.003 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2ccc(Br)c(F)c2)CC1 ZINC000341988234 457044567 /nfs/dbraw/zinc/04/45/67/457044567.db2.gz IASOTPOEOVLXBU-UHFFFAOYSA-N 1 2 341.224 3.340 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2cc(F)cc(Br)c2)CC1 ZINC000341995027 457048099 /nfs/dbraw/zinc/04/80/99/457048099.db2.gz QZTDYSMCSBJQBG-UHFFFAOYSA-N 1 2 341.224 3.340 20 30 EGEDLO C=CCOc1ccc(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000359099563 457053888 /nfs/dbraw/zinc/05/38/88/457053888.db2.gz PYRZJNQWJZNHGN-UHFFFAOYSA-N 1 2 347.418 3.426 20 30 EGEDLO Cc1cc(OCC(=O)NCc2cccc(C#N)c2)c2ccccc2[nH+]1 ZINC000362755023 457078651 /nfs/dbraw/zinc/07/86/51/457078651.db2.gz DHEUUNBACSMGAD-UHFFFAOYSA-N 1 2 331.375 3.110 20 30 EGEDLO Cc1cc(F)cc2c1ncc(C#N)c2NCCCNc1cccc[nH+]1 ZINC000359449919 457085161 /nfs/dbraw/zinc/08/51/61/457085161.db2.gz MXXBNAFBSSDNFO-UHFFFAOYSA-N 1 2 335.386 3.285 20 30 EGEDLO CC(C)CC(C)(C)CNC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000331210746 457146370 /nfs/dbraw/zinc/14/63/70/457146370.db2.gz IEWMWXOOZIUYPY-ZBFHGGJFSA-N 1 2 336.480 3.216 20 30 EGEDLO C=CC1CCN(C(=O)c2c3ccccc3nc3c2C[N@H+](C)CC3)CC1 ZINC000346839809 457181365 /nfs/dbraw/zinc/18/13/65/457181365.db2.gz RPCFMTBCQYODJC-UHFFFAOYSA-N 1 2 335.451 3.261 20 30 EGEDLO C=CC1CCN(C(=O)c2c3ccccc3nc3c2C[N@@H+](C)CC3)CC1 ZINC000346839809 457181371 /nfs/dbraw/zinc/18/13/71/457181371.db2.gz RPCFMTBCQYODJC-UHFFFAOYSA-N 1 2 335.451 3.261 20 30 EGEDLO C=CCCS(=O)(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC000351219047 457241560 /nfs/dbraw/zinc/24/15/60/457241560.db2.gz ASTMUSCVZVFXKY-MRXNPFEDSA-N 1 2 344.908 3.218 20 30 EGEDLO Cn1c(C[NH2+][C@H]2CCC[C@@H]2C#N)nc2ccc(Br)cc21 ZINC000331801966 457254825 /nfs/dbraw/zinc/25/48/25/457254825.db2.gz SFFBZYAWQCYGFM-PWSUYJOCSA-N 1 2 333.233 3.118 20 30 EGEDLO C=C(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000360207046 457294316 /nfs/dbraw/zinc/29/43/16/457294316.db2.gz DVSLPWADZGXBRK-UHFFFAOYSA-N 1 2 348.362 3.224 20 30 EGEDLO C=C(CNC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000351845017 457319917 /nfs/dbraw/zinc/31/99/17/457319917.db2.gz HTBDOANBBOXEMD-UHFFFAOYSA-N 1 2 332.407 3.385 20 30 EGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc2[nH+]ccn2c1 ZINC000342500546 457336713 /nfs/dbraw/zinc/33/67/13/457336713.db2.gz WDNWPIWQWYGANA-UHFFFAOYSA-N 1 2 337.427 3.330 20 30 EGEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000355296763 457354943 /nfs/dbraw/zinc/35/49/43/457354943.db2.gz ZJCWTGXKFFYLOI-IBGZPJMESA-N 1 2 341.842 3.428 20 30 EGEDLO C=Cn1cc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cn1 ZINC000355329751 457358263 /nfs/dbraw/zinc/35/82/63/457358263.db2.gz JYCFYGRSDBWDQI-SFHVURJKSA-N 1 2 341.846 3.019 20 30 EGEDLO COc1ccc(C[NH+]2CCC(F)(C#N)CC2)cc1Br ZINC000352491312 457411095 /nfs/dbraw/zinc/41/10/95/457411095.db2.gz PUWOOZWGKRFFMQ-UHFFFAOYSA-N 1 2 327.197 3.285 20 30 EGEDLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1)c1cc2ccccc2o1 ZINC000352491122 457411133 /nfs/dbraw/zinc/41/11/33/457411133.db2.gz NTODWYFICHAMND-KGLIPLIRSA-N 1 2 343.402 3.326 20 30 EGEDLO N#Cc1ccc([C@H]([NH2+][C@H]2CCc3sc(Cl)cc32)C(N)=O)cc1 ZINC000357281503 457420457 /nfs/dbraw/zinc/42/04/57/457420457.db2.gz GDIALMRRDJDJPC-WFASDCNBSA-N 1 2 331.828 3.077 20 30 EGEDLO CN(C)c1ccc(CNc2cccc(Br)c2C#N)c[nH+]1 ZINC000357308335 457436862 /nfs/dbraw/zinc/43/68/62/457436862.db2.gz DDPMZKBHHOFNHO-UHFFFAOYSA-N 1 2 331.217 3.394 20 30 EGEDLO C[C@H](c1ccc(Br)cc1)[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC000347459286 457441945 /nfs/dbraw/zinc/44/19/45/457441945.db2.gz HARDXWHOZMEBFG-CQSZACIVSA-N 1 2 348.288 3.431 20 30 EGEDLO C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC2(C#N)CC2)CC1 ZINC000347459286 457441954 /nfs/dbraw/zinc/44/19/54/457441954.db2.gz HARDXWHOZMEBFG-CQSZACIVSA-N 1 2 348.288 3.431 20 30 EGEDLO C=CC[N@H+](Cc1ncc(C)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000357335478 457454806 /nfs/dbraw/zinc/45/48/06/457454806.db2.gz OZWOAZMVXBJSQZ-AWEZNQCLSA-N 1 2 340.456 3.176 20 30 EGEDLO C=CC[N@@H+](Cc1ncc(C)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000357335478 457454813 /nfs/dbraw/zinc/45/48/13/457454813.db2.gz OZWOAZMVXBJSQZ-AWEZNQCLSA-N 1 2 340.456 3.176 20 30 EGEDLO C=CCOc1ccc(C[NH2+]Cc2nn(C)cc2Br)cc1 ZINC000393347014 457464021 /nfs/dbraw/zinc/46/40/21/457464021.db2.gz FMLBAZJCWTUTMG-UHFFFAOYSA-N 1 2 336.233 3.037 20 30 EGEDLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCC[N@@H+]1CCCCC#N ZINC000364070854 457478683 /nfs/dbraw/zinc/47/86/83/457478683.db2.gz KFGNJYPDIRZARU-AWEZNQCLSA-N 1 2 344.381 3.129 20 30 EGEDLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCC[N@H+]1CCCCC#N ZINC000364070854 457478688 /nfs/dbraw/zinc/47/86/88/457478688.db2.gz KFGNJYPDIRZARU-AWEZNQCLSA-N 1 2 344.381 3.129 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2cccnc2C#N)CC1 ZINC000357502023 457567108 /nfs/dbraw/zinc/56/71/08/457567108.db2.gz KBYUDHYCPPCFAW-CQSZACIVSA-N 1 2 326.831 3.490 20 30 EGEDLO C=CCOc1ccc(CNc2ccc(-c3cncnc3)c[nH+]2)cc1OC ZINC000370297511 457612151 /nfs/dbraw/zinc/61/21/51/457612151.db2.gz KUWXRTLLJZARTA-UHFFFAOYSA-N 1 2 348.406 3.146 20 30 EGEDLO C=CCC[C@@H](NC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1)c1ccccc1 ZINC000425934187 457654391 /nfs/dbraw/zinc/65/43/91/457654391.db2.gz ZSWVKVHTSRJWIY-RBUKOAKNSA-N 1 2 345.487 3.104 20 30 EGEDLO C=CCC[C@@H](NC(=O)NCC[N@H+]1CCO[C@@H](CC)C1)c1ccccc1 ZINC000425934187 457654397 /nfs/dbraw/zinc/65/43/97/457654397.db2.gz ZSWVKVHTSRJWIY-RBUKOAKNSA-N 1 2 345.487 3.104 20 30 EGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000370527294 457666428 /nfs/dbraw/zinc/66/64/28/457666428.db2.gz IMJGDDUGPNIVPC-UHFFFAOYSA-N 1 2 327.815 3.498 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N1CC[NH2+][C@@H](c2ccccc2Cl)C1)OCC ZINC000374866800 457723029 /nfs/dbraw/zinc/72/30/29/457723029.db2.gz AROZJGUKEZLUTE-IAGOWNOFSA-N 1 2 336.863 3.184 20 30 EGEDLO C=CCC1(NC(=O)NCCc2cn3ccccc3[nH+]2)CCCCC1 ZINC000457606203 457762413 /nfs/dbraw/zinc/76/24/13/457762413.db2.gz VGXSRLLQSBURLJ-UHFFFAOYSA-N 1 2 326.444 3.455 20 30 EGEDLO C[N@H+](CCC1(C#N)CCCCC1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000411281468 457848485 /nfs/dbraw/zinc/84/84/85/457848485.db2.gz HPMYBMHJKULJDY-UHFFFAOYSA-N 1 2 334.485 3.386 20 30 EGEDLO C[N@@H+](CCC1(C#N)CCCCC1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000411281468 457848493 /nfs/dbraw/zinc/84/84/93/457848493.db2.gz HPMYBMHJKULJDY-UHFFFAOYSA-N 1 2 334.485 3.386 20 30 EGEDLO Cc1noc(C)c1C[NH+]1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411349145 457862865 /nfs/dbraw/zinc/86/28/65/457862865.db2.gz IBSFAQARRMGCAM-UHFFFAOYSA-N 1 2 330.476 3.273 20 30 EGEDLO N#Cc1ccc(C2=CC[N@H+]([C@@H](C(N)=O)c3ccc(F)cc3)CC2)cc1 ZINC000371329823 457869833 /nfs/dbraw/zinc/86/98/33/457869833.db2.gz OFDFKQJWLFVLGU-LJQANCHMSA-N 1 2 335.382 3.013 20 30 EGEDLO N#Cc1ccc(C2=CC[N@@H+]([C@@H](C(N)=O)c3ccc(F)cc3)CC2)cc1 ZINC000371329823 457869839 /nfs/dbraw/zinc/86/98/39/457869839.db2.gz OFDFKQJWLFVLGU-LJQANCHMSA-N 1 2 335.382 3.013 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444702939 457949671 /nfs/dbraw/zinc/94/96/71/457949671.db2.gz YQSXSGSFZASUDR-GFCCVEGCSA-N 1 2 329.350 3.295 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444702939 457949676 /nfs/dbraw/zinc/94/96/76/457949676.db2.gz YQSXSGSFZASUDR-GFCCVEGCSA-N 1 2 329.350 3.295 20 30 EGEDLO N#Cc1cccc(OCCCCC(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000371524259 457974252 /nfs/dbraw/zinc/97/42/52/457974252.db2.gz GYCJSVZDSUJZDA-QGZVFWFLSA-N 1 2 338.411 3.194 20 30 EGEDLO CC(C)(C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1cc(F)cc(C#N)c1 ZINC000375685913 458021582 /nfs/dbraw/zinc/02/15/82/458021582.db2.gz WRVRZTFTUAQJHV-QGZVFWFLSA-N 1 2 340.402 3.035 20 30 EGEDLO C=C[C@@H]1CCCCN1C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000428040518 458071652 /nfs/dbraw/zinc/07/16/52/458071652.db2.gz KSZRCWXOGHBPNU-MRXNPFEDSA-N 1 2 329.469 3.443 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000372166199 458217253 /nfs/dbraw/zinc/21/72/53/458217253.db2.gz DQHIRCSKCKZIQZ-IBGZPJMESA-N 1 2 349.425 3.199 20 30 EGEDLO C=CC(C)(C)CNC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000458991165 458238319 /nfs/dbraw/zinc/23/83/19/458238319.db2.gz SYAXGROPJACRAN-MRXNPFEDSA-N 1 2 345.487 3.296 20 30 EGEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1c[nH+]c(C)cc1C ZINC000459082739 458262689 /nfs/dbraw/zinc/26/26/89/458262689.db2.gz SJDOFEPYGVOWCC-UHFFFAOYSA-N 1 2 343.427 3.072 20 30 EGEDLO N#Cc1cnc(N2CC[NH+](Cc3ccccc3Cl)CC2)c(F)c1 ZINC000413207690 458295227 /nfs/dbraw/zinc/29/52/27/458295227.db2.gz SKPUNQPWXWEBOK-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(-c3ccccc3Cl)on2)C1=O ZINC000419289702 458380729 /nfs/dbraw/zinc/38/07/29/458380729.db2.gz JFCCPBJEXCMVSM-INIZCTEOSA-N 1 2 345.830 3.214 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(-c3ccccc3Cl)on2)C1=O ZINC000419289702 458380732 /nfs/dbraw/zinc/38/07/32/458380732.db2.gz JFCCPBJEXCMVSM-INIZCTEOSA-N 1 2 345.830 3.214 20 30 EGEDLO C=CCc1ccc(OCC(=O)NCc2cc(C)[nH+]c(C)c2)c(OC)c1 ZINC000421562383 458417207 /nfs/dbraw/zinc/41/72/07/458417207.db2.gz VGAGTDSMVNNAEN-UHFFFAOYSA-N 1 2 340.423 3.131 20 30 EGEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000448953697 458417597 /nfs/dbraw/zinc/41/75/97/458417597.db2.gz ICVRVWRIPUMDKY-DWQUBVKVSA-N 1 2 349.837 3.109 20 30 EGEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000448953697 458417601 /nfs/dbraw/zinc/41/76/01/458417601.db2.gz ICVRVWRIPUMDKY-DWQUBVKVSA-N 1 2 349.837 3.109 20 30 EGEDLO C=CCC[C@H]([NH2+]Cc1c[nH]nc1-c1cccc(C)c1)C(=O)OCC ZINC000449655974 458428613 /nfs/dbraw/zinc/42/86/13/458428613.db2.gz IQFYXKXANOJOTA-KRWDZBQOSA-N 1 2 327.428 3.373 20 30 EGEDLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@@]2(C#N)C[C@@H]2C)CC1 ZINC000450382188 458446620 /nfs/dbraw/zinc/44/66/20/458446620.db2.gz WKCDSTQXQNRMIG-VBKZILBWSA-N 1 2 336.439 3.312 20 30 EGEDLO CC[N@@H+]1CC[C@H](Nc2nccc(C#N)n2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000450444361 458448801 /nfs/dbraw/zinc/44/88/01/458448801.db2.gz XGOQAGHXJZVPPU-GOEBONIOSA-N 1 2 347.344 3.013 20 30 EGEDLO CC[N@H+]1CC[C@H](Nc2nccc(C#N)n2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000450444361 458448807 /nfs/dbraw/zinc/44/88/07/458448807.db2.gz XGOQAGHXJZVPPU-GOEBONIOSA-N 1 2 347.344 3.013 20 30 EGEDLO C=CCN1CC[C@H](N(C)c2[nH+]ccc3cc(C(F)(F)F)ccc32)C1=O ZINC000450500519 458450009 /nfs/dbraw/zinc/45/00/09/458450009.db2.gz NIDWNXYYPYDNCW-HNNXBMFYSA-N 1 2 349.356 3.477 20 30 EGEDLO CCOC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000459705405 458452688 /nfs/dbraw/zinc/45/26/88/458452688.db2.gz IFBOWIMAGPCKLX-OAHLLOKOSA-N 1 2 347.484 3.132 20 30 EGEDLO CCOC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000459705405 458452692 /nfs/dbraw/zinc/45/26/92/458452692.db2.gz IFBOWIMAGPCKLX-OAHLLOKOSA-N 1 2 347.484 3.132 20 30 EGEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCc2cscn2)CC1 ZINC000450885299 458459755 /nfs/dbraw/zinc/45/97/55/458459755.db2.gz BCEJZRFQEMHBMN-QGZVFWFLSA-N 1 2 346.887 3.221 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)c2[nH+]ccn21 ZINC000454312062 458557640 /nfs/dbraw/zinc/55/76/40/458557640.db2.gz CLLYTAOEPZVIFD-DGCLKSJQSA-N 1 2 326.404 3.139 20 30 EGEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000454448739 458562593 /nfs/dbraw/zinc/56/25/93/458562593.db2.gz MXADGLNGBCTULV-UHFFFAOYSA-N 1 2 346.434 3.134 20 30 EGEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000373784750 458602002 /nfs/dbraw/zinc/60/20/02/458602002.db2.gz CMCQBAOSTHKDKE-UHFFFAOYSA-N 1 2 343.818 3.408 20 30 EGEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H](C2CC2)O1 ZINC000470918823 458664190 /nfs/dbraw/zinc/66/41/90/458664190.db2.gz KOKUDRCGXXBXQR-DYVFJYSZSA-N 1 2 339.357 3.436 20 30 EGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H](C2CC2)O1 ZINC000470918823 458664193 /nfs/dbraw/zinc/66/41/93/458664193.db2.gz KOKUDRCGXXBXQR-DYVFJYSZSA-N 1 2 339.357 3.436 20 30 EGEDLO C=CCC1(CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CCCC1 ZINC000456506351 458698183 /nfs/dbraw/zinc/69/81/83/458698183.db2.gz NGTHSYNVKQYWQU-IAGOWNOFSA-N 1 2 327.472 3.407 20 30 EGEDLO C=CCOc1cccc(NC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000508620028 458761537 /nfs/dbraw/zinc/76/15/37/458761537.db2.gz ONDUCBHMSOORHF-JTDSTZFVSA-N 1 2 346.471 3.324 20 30 EGEDLO C=CCOc1cccc(NC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000508620028 458761545 /nfs/dbraw/zinc/76/15/45/458761545.db2.gz ONDUCBHMSOORHF-JTDSTZFVSA-N 1 2 346.471 3.324 20 30 EGEDLO CCN1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000530427676 458766532 /nfs/dbraw/zinc/76/65/32/458766532.db2.gz RAHTYMZISBTGIE-OAHLLOKOSA-N 1 2 349.360 3.183 20 30 EGEDLO N#CC1(F)CC[NH+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000510912877 458776057 /nfs/dbraw/zinc/77/60/57/458776057.db2.gz CHEGHUPAGLHMKQ-IBGZPJMESA-N 1 2 343.446 3.362 20 30 EGEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1 ZINC000464827324 458779719 /nfs/dbraw/zinc/77/97/19/458779719.db2.gz HLAJMORVEKDPIT-PIKOESSRSA-N 1 2 339.483 3.263 20 30 EGEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1 ZINC000464827324 458779728 /nfs/dbraw/zinc/77/97/28/458779728.db2.gz HLAJMORVEKDPIT-PIKOESSRSA-N 1 2 339.483 3.263 20 30 EGEDLO C=CCC(C)(C)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000514647732 458799820 /nfs/dbraw/zinc/79/98/20/458799820.db2.gz VLIJDJWHWSKSHA-MRXNPFEDSA-N 1 2 326.444 3.411 20 30 EGEDLO COc1ccccc1C[N@@H+](Cc1ccc(C#N)cn1)C[C@@H]1CCCO1 ZINC000516528831 458818964 /nfs/dbraw/zinc/81/89/64/458818964.db2.gz UAVLYYLOGKXZNK-IBGZPJMESA-N 1 2 337.423 3.143 20 30 EGEDLO COc1ccccc1C[N@H+](Cc1ccc(C#N)cn1)C[C@@H]1CCCO1 ZINC000516528831 458818966 /nfs/dbraw/zinc/81/89/66/458818966.db2.gz UAVLYYLOGKXZNK-IBGZPJMESA-N 1 2 337.423 3.143 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000517682277 458830675 /nfs/dbraw/zinc/83/06/75/458830675.db2.gz DHUVAOJAJVDANK-UAGQMJEPSA-N 1 2 329.444 3.298 20 30 EGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1(C#N)CC(C)C1 ZINC000532064570 459025377 /nfs/dbraw/zinc/02/53/77/459025377.db2.gz YUCVEWMSEZSSNF-UHFFFAOYSA-N 1 2 340.471 3.086 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000478052658 459075024 /nfs/dbraw/zinc/07/50/24/459075024.db2.gz IEKCKKKJESZJNL-MRXNPFEDSA-N 1 2 341.455 3.310 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCOC2(C1)CCCCCC2 ZINC000478052658 459075029 /nfs/dbraw/zinc/07/50/29/459075029.db2.gz IEKCKKKJESZJNL-MRXNPFEDSA-N 1 2 341.455 3.310 20 30 EGEDLO Cc1sccc1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000590347741 459118969 /nfs/dbraw/zinc/11/89/69/459118969.db2.gz SEDYAECTKLGFFR-UHFFFAOYSA-N 1 2 328.441 3.116 20 30 EGEDLO C=C(CNC(=O)NCc1ccc(N(CC)CC)[nH+]c1)c1ccccc1 ZINC000479222864 459129737 /nfs/dbraw/zinc/12/97/37/459129737.db2.gz VQGMRQWGVCQZPU-UHFFFAOYSA-N 1 2 338.455 3.440 20 30 EGEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000521267065 459137190 /nfs/dbraw/zinc/13/71/90/459137190.db2.gz LHJVFSMUFSBEKP-DLBZAZTESA-N 1 2 326.444 3.221 20 30 EGEDLO C=CCOC[C@H]([NH2+]CC1CCC(c2ccccc2)CC1)C(=O)OC ZINC000578125050 459149133 /nfs/dbraw/zinc/14/91/33/459149133.db2.gz KPSUYVRLTPKZID-KVZIAJEVSA-N 1 2 331.456 3.294 20 30 EGEDLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000496415023 459185064 /nfs/dbraw/zinc/18/50/64/459185064.db2.gz DPSUXNDUIQZJSW-CQSZACIVSA-N 1 2 346.431 3.224 20 30 EGEDLO CC#CCN(C)C(=O)c1ccccc1OCc1cn2cc(C)ccc2[nH+]1 ZINC000578359430 459187419 /nfs/dbraw/zinc/18/74/19/459187419.db2.gz YCMAUDBCSSVJAY-UHFFFAOYSA-N 1 2 347.418 3.317 20 30 EGEDLO C=CCCSCC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000595061269 459231496 /nfs/dbraw/zinc/23/14/96/459231496.db2.gz ZOJIKPZPRKQPOB-MRXNPFEDSA-N 1 2 346.456 3.317 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1(C)C ZINC000590939934 459276947 /nfs/dbraw/zinc/27/69/47/459276947.db2.gz RPOYEONDFJBUEO-IRXDYDNUSA-N 1 2 349.438 3.072 20 30 EGEDLO N#CCC[N@@H+](CC[C@@H]1Sc2ccccc2NC1=O)Cc1ccco1 ZINC000595335012 459279364 /nfs/dbraw/zinc/27/93/64/459279364.db2.gz ULWXKZXBDAKRIJ-KRWDZBQOSA-N 1 2 341.436 3.498 20 30 EGEDLO N#CCC[N@H+](CC[C@@H]1Sc2ccccc2NC1=O)Cc1ccco1 ZINC000595335012 459279368 /nfs/dbraw/zinc/27/93/68/459279368.db2.gz ULWXKZXBDAKRIJ-KRWDZBQOSA-N 1 2 341.436 3.498 20 30 EGEDLO Cc1cc(C#N)cnc1-c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000559934846 459285783 /nfs/dbraw/zinc/28/57/83/459285783.db2.gz WHKKZASUKRCBNL-UHFFFAOYSA-N 1 2 342.362 3.224 20 30 EGEDLO C[C@H](NC(=O)NCc1ccc[nH+]c1N1CCCC1)c1ccc(C#N)cc1 ZINC000595461639 459310739 /nfs/dbraw/zinc/31/07/39/459310739.db2.gz OQMGDDWLHIRIRA-HNNXBMFYSA-N 1 2 349.438 3.114 20 30 EGEDLO N#CCc1ccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000534520975 459329206 /nfs/dbraw/zinc/32/92/06/459329206.db2.gz GSBUGUMOQYQZBG-UHFFFAOYSA-N 1 2 340.452 3.164 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483098788 459339906 /nfs/dbraw/zinc/33/99/06/459339906.db2.gz CISDPHOHKATNHB-HKUYNNGSSA-N 1 2 338.382 3.401 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483098788 459339907 /nfs/dbraw/zinc/33/99/07/459339907.db2.gz CISDPHOHKATNHB-HKUYNNGSSA-N 1 2 338.382 3.401 20 30 EGEDLO C[C@H]1c2c(F)cccc2CC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000524252266 459353499 /nfs/dbraw/zinc/35/34/99/459353499.db2.gz ITTWVALNVCUFNP-AWEZNQCLSA-N 1 2 329.419 3.087 20 30 EGEDLO C[C@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000524252266 459353507 /nfs/dbraw/zinc/35/35/07/459353507.db2.gz ITTWVALNVCUFNP-AWEZNQCLSA-N 1 2 329.419 3.087 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000537683816 459368003 /nfs/dbraw/zinc/36/80/03/459368003.db2.gz POZIGBLHUGJAIF-LPMFXHHGSA-N 1 2 331.435 3.188 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000537683816 459368008 /nfs/dbraw/zinc/36/80/08/459368008.db2.gz POZIGBLHUGJAIF-LPMFXHHGSA-N 1 2 331.435 3.188 20 30 EGEDLO C=CCCC[C@@H](C)NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000538372569 459370789 /nfs/dbraw/zinc/37/07/89/459370789.db2.gz GAUWVDDZTXFYSM-MRXNPFEDSA-N 1 2 333.451 3.398 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@H](c2ccc(CC)cc2)C1 ZINC000484577988 459421225 /nfs/dbraw/zinc/42/12/25/459421225.db2.gz VGUVPCPDZGTWRZ-IBGZPJMESA-N 1 2 330.472 3.047 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@H](c2ccc(CC)cc2)C1 ZINC000484577988 459421231 /nfs/dbraw/zinc/42/12/31/459421231.db2.gz VGUVPCPDZGTWRZ-IBGZPJMESA-N 1 2 330.472 3.047 20 30 EGEDLO CCC[N@H+](Cc1ccccc1F)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000595784665 459440364 /nfs/dbraw/zinc/44/03/64/459440364.db2.gz UVHVIVFIRMZOSW-SFHVURJKSA-N 1 2 325.387 3.136 20 30 EGEDLO CCC[N@@H+](Cc1ccccc1F)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000595784665 459440374 /nfs/dbraw/zinc/44/03/74/459440374.db2.gz UVHVIVFIRMZOSW-SFHVURJKSA-N 1 2 325.387 3.136 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000591845426 459453575 /nfs/dbraw/zinc/45/35/75/459453575.db2.gz HUKIFHMKADBOPQ-INIZCTEOSA-N 1 2 348.450 3.276 20 30 EGEDLO C[C@@H](CC(=O)Nc1cccc(OC(F)(F)F)c1C#N)n1cc[nH+]c1 ZINC000583027976 459470024 /nfs/dbraw/zinc/47/00/24/459470024.db2.gz GHKWGPRZWLCIBS-JTQLQIEISA-N 1 2 338.289 3.243 20 30 EGEDLO N#CC[C@]1(O)CC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000592153167 459538222 /nfs/dbraw/zinc/53/82/22/459538222.db2.gz JZNYYMHFNSLMQH-INIZCTEOSA-N 1 2 333.844 3.314 20 30 EGEDLO N#CC[C@]1(O)CC[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000592153167 459538226 /nfs/dbraw/zinc/53/82/26/459538226.db2.gz JZNYYMHFNSLMQH-INIZCTEOSA-N 1 2 333.844 3.314 20 30 EGEDLO CC(C)CC[N@H+](CCC#N)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000488435803 459544516 /nfs/dbraw/zinc/54/45/16/459544516.db2.gz WCQWADABNUEIKX-UHFFFAOYSA-N 1 2 330.428 3.292 20 30 EGEDLO CC(C)CC[N@@H+](CCC#N)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000488435803 459544520 /nfs/dbraw/zinc/54/45/20/459544520.db2.gz WCQWADABNUEIKX-UHFFFAOYSA-N 1 2 330.428 3.292 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Br)CC2(CCC2)O1 ZINC000592186654 459545809 /nfs/dbraw/zinc/54/58/09/459545809.db2.gz GQQIGSCNCSJNCR-GFCCVEGCSA-N 1 2 335.245 3.464 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)CC2(CCC2)O1 ZINC000592186654 459545811 /nfs/dbraw/zinc/54/58/11/459545811.db2.gz GQQIGSCNCSJNCR-GFCCVEGCSA-N 1 2 335.245 3.464 20 30 EGEDLO N#CC1(C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000562391971 459552263 /nfs/dbraw/zinc/55/22/63/459552263.db2.gz YDEOCLYPQNABIP-UHFFFAOYSA-N 1 2 331.217 3.233 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000570864125 459561686 /nfs/dbraw/zinc/56/16/86/459561686.db2.gz ONQGFOMAUBZKKD-PMACEKPBSA-N 1 2 335.451 3.368 20 30 EGEDLO CC(=O)c1ccccc1NC(=O)CCC[N@H+](CC#N)C1CCCC1 ZINC000570825337 459562006 /nfs/dbraw/zinc/56/20/06/459562006.db2.gz XRNKINVXAYKARK-UHFFFAOYSA-N 1 2 327.428 3.376 20 30 EGEDLO CC(=O)c1ccccc1NC(=O)CCC[N@@H+](CC#N)C1CCCC1 ZINC000570825337 459562010 /nfs/dbraw/zinc/56/20/10/459562010.db2.gz XRNKINVXAYKARK-UHFFFAOYSA-N 1 2 327.428 3.376 20 30 EGEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000489406902 459562763 /nfs/dbraw/zinc/56/27/63/459562763.db2.gz PMEWKJXLTDKERL-GFCCVEGCSA-N 1 2 338.835 3.336 20 30 EGEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000489406902 459562768 /nfs/dbraw/zinc/56/27/68/459562768.db2.gz PMEWKJXLTDKERL-GFCCVEGCSA-N 1 2 338.835 3.336 20 30 EGEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21 ZINC000489424558 459564143 /nfs/dbraw/zinc/56/41/43/459564143.db2.gz KEPRXAYIPNMFFF-CQSZACIVSA-N 1 2 326.396 3.178 20 30 EGEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21 ZINC000489424558 459564149 /nfs/dbraw/zinc/56/41/49/459564149.db2.gz KEPRXAYIPNMFFF-CQSZACIVSA-N 1 2 326.396 3.178 20 30 EGEDLO COCc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)o1 ZINC000562579185 459592194 /nfs/dbraw/zinc/59/21/94/459592194.db2.gz ZYMYEOCPWPBAPC-UHFFFAOYSA-N 1 2 345.830 3.273 20 30 EGEDLO Cc1c(N2CCC[C@H](CC#N)C2)nc[nH+]c1N1CCC[C@@H](CC#N)C1 ZINC000596326520 459597449 /nfs/dbraw/zinc/59/74/49/459597449.db2.gz UPMQJTHDEAERTH-CALCHBBNSA-N 1 2 338.459 3.045 20 30 EGEDLO Cc1c(N2CCC[C@@H](CC#N)C2)nc[nH+]c1N1CCC[C@H](CC#N)C1 ZINC000596326520 459597456 /nfs/dbraw/zinc/59/74/56/459597456.db2.gz UPMQJTHDEAERTH-CALCHBBNSA-N 1 2 338.459 3.045 20 30 EGEDLO C#CCN(Cc1ccccc1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000491125236 459599736 /nfs/dbraw/zinc/59/97/36/459599736.db2.gz BZBFKVRESCTHOI-UHFFFAOYSA-N 1 2 343.430 3.136 20 30 EGEDLO Cc1c[nH+]ccc1NC(=O)C=Cc1cn(CCC#N)c2ccccc12 ZINC000491321961 459616899 /nfs/dbraw/zinc/61/68/99/459616899.db2.gz ROYCCHSJXGUGEQ-FPLPWBNLSA-N 1 2 330.391 3.332 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1cnc(N2CCCC2)nc1)c1ccc(Cl)cc1 ZINC000491661768 459649207 /nfs/dbraw/zinc/64/92/07/459649207.db2.gz PONWVIGEJVTVDA-QGZVFWFLSA-N 1 2 326.831 3.194 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2nc3ccccc3c(C)c2Cl)C1=O ZINC000499956950 459658803 /nfs/dbraw/zinc/65/88/03/459658803.db2.gz RYVUXYZHUDBWML-QGZVFWFLSA-N 1 2 343.858 3.415 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2nc3ccccc3c(C)c2Cl)C1=O ZINC000499956950 459658808 /nfs/dbraw/zinc/65/88/08/459658808.db2.gz RYVUXYZHUDBWML-QGZVFWFLSA-N 1 2 343.858 3.415 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1ccc2c(c1)nnn2C)c1ccc(Cl)cc1F ZINC000491753156 459667840 /nfs/dbraw/zinc/66/78/40/459667840.db2.gz YKGLDIPEOVLCEG-OAHLLOKOSA-N 1 2 328.778 3.225 20 30 EGEDLO CC1=C(C)C[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000584174320 459672922 /nfs/dbraw/zinc/67/29/22/459672922.db2.gz JXHBHPPWFAAQFZ-FQEVSTJZSA-N 1 2 337.467 3.339 20 30 EGEDLO C#C[C@H](NC(=O)N[C@@H](C)c1[nH+]ccn1CC)c1ccc(Cl)cc1 ZINC000491789309 459674376 /nfs/dbraw/zinc/67/43/76/459674376.db2.gz ZEUDITOWLFKAAF-WFASDCNBSA-N 1 2 330.819 3.291 20 30 EGEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000584218182 459683308 /nfs/dbraw/zinc/68/33/08/459683308.db2.gz ZFXAFXVAJABANZ-ZDUSSCGKSA-N 1 2 339.361 3.155 20 30 EGEDLO CC1(C)C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@@H]1c1ccncc1 ZINC000596593088 459688376 /nfs/dbraw/zinc/68/83/76/459688376.db2.gz QFRJBULRBMLZTR-RTBURBONSA-N 1 2 346.434 3.142 20 30 EGEDLO CC1(C)C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@@H]1c1ccncc1 ZINC000596593088 459688379 /nfs/dbraw/zinc/68/83/79/459688379.db2.gz QFRJBULRBMLZTR-RTBURBONSA-N 1 2 346.434 3.142 20 30 EGEDLO CN(C(=O)C[N@@H+]1CC(C)(C)[C@H]1c1ccncc1)C1(C#N)CCCCC1 ZINC000596595216 459689540 /nfs/dbraw/zinc/68/95/40/459689540.db2.gz YRLGDQJPIYAIQJ-GOSISDBHSA-N 1 2 340.471 3.149 20 30 EGEDLO CN(C(=O)C[N@H+]1CC(C)(C)[C@H]1c1ccncc1)C1(C#N)CCCCC1 ZINC000596595216 459689545 /nfs/dbraw/zinc/68/95/45/459689545.db2.gz YRLGDQJPIYAIQJ-GOSISDBHSA-N 1 2 340.471 3.149 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000492510322 459708347 /nfs/dbraw/zinc/70/83/47/459708347.db2.gz OBEBPBSVZXVPRX-OAHLLOKOSA-N 1 2 333.407 3.186 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000492510322 459708356 /nfs/dbraw/zinc/70/83/56/459708356.db2.gz OBEBPBSVZXVPRX-OAHLLOKOSA-N 1 2 333.407 3.186 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ncc(Cc2cccc(C)c2)s1 ZINC000563365392 459763888 /nfs/dbraw/zinc/76/38/88/459763888.db2.gz CGHCQLHEJVLCRW-HNNXBMFYSA-N 1 2 342.468 3.263 20 30 EGEDLO C[C@@H](CC(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000593112815 459776458 /nfs/dbraw/zinc/77/64/58/459776458.db2.gz KTQWXHMGMDGTSZ-SMDDNHRTSA-N 1 2 336.317 3.234 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000574098389 459778580 /nfs/dbraw/zinc/77/85/80/459778580.db2.gz OJTWDJFYDTYRQK-MRXNPFEDSA-N 1 2 339.443 3.018 20 30 EGEDLO C[C@@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000584784925 459802458 /nfs/dbraw/zinc/80/24/58/459802458.db2.gz YHFZDAXFIJLANI-BLLLJJGKSA-N 1 2 341.377 3.159 20 30 EGEDLO CCC(C#N)(CC)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000528422869 459806456 /nfs/dbraw/zinc/80/64/56/459806456.db2.gz KQYDCFDMBYUFGN-OAHLLOKOSA-N 1 2 329.444 3.348 20 30 EGEDLO C[C@@H]1CC(F)(F)CC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000528772450 459813720 /nfs/dbraw/zinc/81/37/20/459813720.db2.gz XPEFKMOYGIXTSH-SNVBAGLBSA-N 1 2 327.762 3.270 20 30 EGEDLO C[C@@H]1CC(F)(F)CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000528772450 459813723 /nfs/dbraw/zinc/81/37/23/459813723.db2.gz XPEFKMOYGIXTSH-SNVBAGLBSA-N 1 2 327.762 3.270 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(C3CCCCC3)s2)C1=O ZINC000545285388 459820355 /nfs/dbraw/zinc/82/03/55/459820355.db2.gz CRBPBSATTRHQAE-INIZCTEOSA-N 1 2 333.501 3.410 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(C3CCCCC3)s2)C1=O ZINC000545285388 459820360 /nfs/dbraw/zinc/82/03/60/459820360.db2.gz CRBPBSATTRHQAE-INIZCTEOSA-N 1 2 333.501 3.410 20 30 EGEDLO CCC(C#N)(CC)C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000602268365 459880459 /nfs/dbraw/zinc/88/04/59/459880459.db2.gz MEVZVRHDUITEPQ-UHFFFAOYSA-N 1 2 329.444 3.096 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609233472 459929874 /nfs/dbraw/zinc/92/98/74/459929874.db2.gz COUHURJZKPRNJU-MRXNPFEDSA-N 1 2 341.436 3.022 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609233472 459929880 /nfs/dbraw/zinc/92/98/80/459929880.db2.gz COUHURJZKPRNJU-MRXNPFEDSA-N 1 2 341.436 3.022 20 30 EGEDLO C=CCC1(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CCOCC1 ZINC000618250434 459940059 /nfs/dbraw/zinc/94/00/59/459940059.db2.gz AQFIUTYEQBLVBP-QGZVFWFLSA-N 1 2 339.439 3.173 20 30 EGEDLO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598608022 459962989 /nfs/dbraw/zinc/96/29/89/459962989.db2.gz PXLPZNYWPPLFLX-XOKHGSTOSA-N 1 2 336.863 3.403 20 30 EGEDLO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598608022 459962997 /nfs/dbraw/zinc/96/29/97/459962997.db2.gz PXLPZNYWPPLFLX-XOKHGSTOSA-N 1 2 336.863 3.403 20 30 EGEDLO N#Cc1cccc(C[NH+]2CCN(c3ccc(F)cc3Cl)CC2)n1 ZINC000602485082 459963696 /nfs/dbraw/zinc/96/36/96/459963696.db2.gz PPVJGTZUJQWZAH-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO Cc1cccc([C@H]2C(=O)NCC[N@H+]2CCC2(C#N)CCCCC2)c1 ZINC000575430011 459973038 /nfs/dbraw/zinc/97/30/38/459973038.db2.gz KZQIHMXXWTYHEE-SFHVURJKSA-N 1 2 325.456 3.332 20 30 EGEDLO Cc1cccc([C@H]2C(=O)NCC[N@@H+]2CCC2(C#N)CCCCC2)c1 ZINC000575430011 459973044 /nfs/dbraw/zinc/97/30/44/459973044.db2.gz KZQIHMXXWTYHEE-SFHVURJKSA-N 1 2 325.456 3.332 20 30 EGEDLO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC1(C#N)CC1 ZINC000575737078 459994734 /nfs/dbraw/zinc/99/47/34/459994734.db2.gz WCJZVSCLFZXITF-UHFFFAOYSA-N 1 2 345.244 3.337 20 30 EGEDLO CC(C)(C#N)C[C@@H](O)CN(Cc1cccnc1)c1[nH]c2ccccc2[nH+]1 ZINC000598702542 459999600 /nfs/dbraw/zinc/99/96/00/459999600.db2.gz UTKQIEUUQHLJJI-MRXNPFEDSA-N 1 2 349.438 3.265 20 30 EGEDLO COCCN(CCC#N)C(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000610491902 460163757 /nfs/dbraw/zinc/16/37/57/460163757.db2.gz PVBLOKTWCUSNBL-UHFFFAOYSA-N 1 2 339.395 3.185 20 30 EGEDLO Cc1ccc(S(=O)(=O)c2ccc(C[NH2+][C@@H](C)CC#N)cc2)cc1 ZINC000602868201 460164688 /nfs/dbraw/zinc/16/46/88/460164688.db2.gz HUVNGQNRBNZOQX-HNNXBMFYSA-N 1 2 328.437 3.220 20 30 EGEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000602865240 460165116 /nfs/dbraw/zinc/16/51/16/460165116.db2.gz VHUDGBQSFOWFRX-GMTAPVOTSA-N 1 2 328.243 3.451 20 30 EGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(C)(F)CC1 ZINC000602992655 460214501 /nfs/dbraw/zinc/21/45/01/460214501.db2.gz BMQPNSULMBHTDX-NSHDSACASA-N 1 2 335.448 3.259 20 30 EGEDLO N#Cc1cc(F)cc(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000603081342 460239408 /nfs/dbraw/zinc/23/94/08/460239408.db2.gz OSYZIHOYOROBMG-UHFFFAOYSA-N 1 2 339.374 3.014 20 30 EGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cc(O)ccc2Cl)CC1 ZINC000599398916 460246859 /nfs/dbraw/zinc/24/68/59/460246859.db2.gz FUMRRZVEBHRRMQ-UHFFFAOYSA-N 1 2 327.815 3.498 20 30 EGEDLO C[C@@H]1C[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H](C)C1(F)F ZINC000599514596 460266370 /nfs/dbraw/zinc/26/63/70/460266370.db2.gz YHGCRVBCYCFVOU-GHMZBOCLSA-N 1 2 341.789 3.373 20 30 EGEDLO C[C@H]1C[N@H+](Cc2cc(F)ccc2C#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599591193 460282140 /nfs/dbraw/zinc/28/21/40/460282140.db2.gz SVSUHDFBNXWFCK-GUYCJALGSA-N 1 2 332.419 3.497 20 30 EGEDLO C[C@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599591193 460282144 /nfs/dbraw/zinc/28/21/44/460282144.db2.gz SVSUHDFBNXWFCK-GUYCJALGSA-N 1 2 332.419 3.497 20 30 EGEDLO C[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(C#N)c1 ZINC000611389066 460351915 /nfs/dbraw/zinc/35/19/15/460351915.db2.gz PTBUWUBFJKVMDY-LBPRGKRZSA-N 1 2 349.350 3.367 20 30 EGEDLO N#Cc1cc(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)c[nH]1 ZINC000619581058 460389394 /nfs/dbraw/zinc/38/93/94/460389394.db2.gz OGMNOSZJZGLYDJ-UHFFFAOYSA-N 1 2 331.379 3.338 20 30 EGEDLO N#Cc1c[nH]c(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)c1 ZINC000619581028 460389617 /nfs/dbraw/zinc/38/96/17/460389617.db2.gz LXOKEFQHLQANNT-UHFFFAOYSA-N 1 2 331.379 3.338 20 30 EGEDLO C=CCOc1c(Cl)cc(C[N@H+](C)C(C)(C)C(=O)OC)cc1OC ZINC000600117117 460389884 /nfs/dbraw/zinc/38/98/84/460389884.db2.gz TWPSJUIEPADXJA-UHFFFAOYSA-N 1 2 341.835 3.297 20 30 EGEDLO C=CCOc1c(Cl)cc(C[N@@H+](C)C(C)(C)C(=O)OC)cc1OC ZINC000600117117 460389880 /nfs/dbraw/zinc/38/98/80/460389880.db2.gz TWPSJUIEPADXJA-UHFFFAOYSA-N 1 2 341.835 3.297 20 30 EGEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000619718752 460422279 /nfs/dbraw/zinc/42/22/79/460422279.db2.gz ZSDXBTMBFDWNOJ-AWEZNQCLSA-N 1 2 338.245 3.140 20 30 EGEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000619718752 460422285 /nfs/dbraw/zinc/42/22/85/460422285.db2.gz ZSDXBTMBFDWNOJ-AWEZNQCLSA-N 1 2 338.245 3.140 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000604484484 460432972 /nfs/dbraw/zinc/43/29/72/460432972.db2.gz VCAKHYBBNNZFOK-OAHLLOKOSA-N 1 2 327.409 3.101 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000604484484 460432981 /nfs/dbraw/zinc/43/29/81/460432981.db2.gz VCAKHYBBNNZFOK-OAHLLOKOSA-N 1 2 327.409 3.101 20 30 EGEDLO C=CCCCS(=O)(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000632522763 460768183 /nfs/dbraw/zinc/76/81/83/460768183.db2.gz QCLOREWITNNWDL-UHFFFAOYSA-N 1 2 347.484 3.113 20 30 EGEDLO C=CC[N@@H+](CCSc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000660071504 461568515 /nfs/dbraw/zinc/56/85/15/461568515.db2.gz ZJWLBLMHQXKTJY-CQSZACIVSA-N 1 2 345.917 3.107 20 30 EGEDLO C=CC[N@H+](CCSc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000660071504 461568519 /nfs/dbraw/zinc/56/85/19/461568519.db2.gz ZJWLBLMHQXKTJY-CQSZACIVSA-N 1 2 345.917 3.107 20 30 EGEDLO C=CCCc1ccccc1NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000667028808 461919030 /nfs/dbraw/zinc/91/90/30/461919030.db2.gz GQLTTXCDSNWPSW-HOTGVXAUSA-N 1 2 331.460 3.036 20 30 EGEDLO C=CCCc1ccccc1NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000667028808 461919039 /nfs/dbraw/zinc/91/90/39/461919039.db2.gz GQLTTXCDSNWPSW-HOTGVXAUSA-N 1 2 331.460 3.036 20 30 EGEDLO CC(=O)c1cccc(C[NH+]2CCN(c3ccsc3C#N)CC2)c1 ZINC000661196470 462146451 /nfs/dbraw/zinc/14/64/51/462146451.db2.gz SMUPPLGZXOANHJ-UHFFFAOYSA-N 1 2 325.437 3.145 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)[C@H](C)COC ZINC000661244523 462168821 /nfs/dbraw/zinc/16/88/21/462168821.db2.gz UJACQZNLPQKSHB-GFCCVEGCSA-N 1 2 330.350 3.167 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)[C@H](C)COC ZINC000661244523 462168816 /nfs/dbraw/zinc/16/88/16/462168816.db2.gz UJACQZNLPQKSHB-GFCCVEGCSA-N 1 2 330.350 3.167 20 30 EGEDLO C=C(CNC(=O)NCc1ccc[nH+]c1N1CCCC1)c1ccccc1 ZINC000664898732 462238524 /nfs/dbraw/zinc/23/85/24/462238524.db2.gz CZKWUVLBODCPLG-UHFFFAOYSA-N 1 2 336.439 3.194 20 30 EGEDLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000183948404 534538069 /nfs/dbraw/zinc/53/80/69/534538069.db2.gz GAHLNNRWHPFGLX-UHFFFAOYSA-N 1 2 348.859 3.440 20 30 EGEDLO C[N@H+](CC(=O)Nc1nncs1)Cc1ccccc1OC(F)(F)F ZINC000045810703 522404499 /nfs/dbraw/zinc/40/44/99/522404499.db2.gz HAVOODBYHLRMDX-UHFFFAOYSA-N 1 2 346.334 3.157 20 30 EGEDLO C[N@@H+](CC(=O)Nc1nncs1)Cc1ccccc1OC(F)(F)F ZINC000045810703 522404505 /nfs/dbraw/zinc/40/45/05/522404505.db2.gz HAVOODBYHLRMDX-UHFFFAOYSA-N 1 2 346.334 3.157 20 30 EGEDLO C#CCCSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000178159697 526751905 /nfs/dbraw/zinc/75/19/05/526751905.db2.gz SGQJVIWXOIGLOH-UHFFFAOYSA-N 1 2 326.469 3.038 20 30 EGEDLO C=CC[C@H](C(=O)N1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000187495474 527120767 /nfs/dbraw/zinc/12/07/67/527120767.db2.gz QFHKKXHIZANUFU-FQEVSTJZSA-N 1 2 335.451 3.086 20 30 EGEDLO CCCC[N@H+](Cc1ccc(Cl)cc1C#N)[C@H]1CCS(=O)(=O)C1 ZINC000187244026 528441672 /nfs/dbraw/zinc/44/16/72/528441672.db2.gz AFRWZYIIKYJEJF-INIZCTEOSA-N 1 2 340.876 3.001 20 30 EGEDLO CCCC[N@@H+](Cc1ccc(Cl)cc1C#N)[C@H]1CCS(=O)(=O)C1 ZINC000187244026 528441678 /nfs/dbraw/zinc/44/16/78/528441678.db2.gz AFRWZYIIKYJEJF-INIZCTEOSA-N 1 2 340.876 3.001 20 30 EGEDLO COc1ccc(C#N)cc1C[N@@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000178920179 536643358 /nfs/dbraw/zinc/64/33/58/536643358.db2.gz RPTHVDYUMCXFLA-UHFFFAOYSA-N 1 2 335.407 3.084 20 30 EGEDLO COc1ccc(C#N)cc1C[N@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000178920179 536643364 /nfs/dbraw/zinc/64/33/64/536643364.db2.gz RPTHVDYUMCXFLA-UHFFFAOYSA-N 1 2 335.407 3.084 20 30 EGEDLO C=CCNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000047606115 546545217 /nfs/dbraw/zinc/54/52/17/546545217.db2.gz QCFFSIGOKZXTKM-CQSZACIVSA-N 1 2 325.815 3.101 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000190511384 547171339 /nfs/dbraw/zinc/17/13/39/547171339.db2.gz GUGYSVXWPQJHPH-QUCCMNQESA-N 1 2 330.472 3.087 20 30 EGEDLO O=C(C[C@H]1C=CCC1)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000329439746 547497194 /nfs/dbraw/zinc/49/71/94/547497194.db2.gz JUSUYXBEXQTUGU-ZDUSSCGKSA-N 1 2 326.400 3.344 20 30 EGEDLO CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000329466572 547498535 /nfs/dbraw/zinc/49/85/35/547498535.db2.gz SBUXRQLWAPZPAD-WMLDXEAASA-N 1 2 344.459 3.179 20 30 EGEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000329716119 547505343 /nfs/dbraw/zinc/50/53/43/547505343.db2.gz VZWMBZAUFGJMFB-VSZNYVQBSA-N 1 2 338.492 3.182 20 30 EGEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000329716119 547505346 /nfs/dbraw/zinc/50/53/46/547505346.db2.gz VZWMBZAUFGJMFB-VSZNYVQBSA-N 1 2 338.492 3.182 20 30 EGEDLO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000333586897 547538537 /nfs/dbraw/zinc/53/85/37/547538537.db2.gz KSQOTVFZDGFTGT-LEWSCRJBSA-N 1 2 338.238 3.381 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CC(c3nc4ccccc4[nH]3)C2)c1C ZINC000675027017 548839153 /nfs/dbraw/zinc/83/91/53/548839153.db2.gz XDJXGWKBPCOKLM-UHFFFAOYSA-N 1 2 348.450 3.449 20 30 EGEDLO O=[N+]([O-])c1cccc(N[NH+]=Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000727250395 574655859 /nfs/dbraw/zinc/65/58/59/574655859.db2.gz NGIPOGSVHCNRFD-UHFFFAOYSA-N 1 2 344.346 3.017 20 30 EGEDLO C[C@@H]1CN(c2ccccc2C=[NH+]Nc2cnc3ccccc3n2)CCO1 ZINC000727256216 574656211 /nfs/dbraw/zinc/65/62/11/574656211.db2.gz MPKGJRJTJSRHSP-OAHLLOKOSA-N 1 2 347.422 3.301 20 30 EGEDLO CN(C)c1ccc(C=[NH+]NC(=S)NCc2ccc(F)cc2)cc1F ZINC000727651219 574681145 /nfs/dbraw/zinc/68/11/45/574681145.db2.gz NMBCOVDOBMGVIL-UHFFFAOYSA-N 1 2 348.422 3.029 20 30 EGEDLO CCn1nc(C)c(C(=O)/C=C/c2[nH+]ccn2CC(F)(F)F)c1C ZINC000728696690 574767292 /nfs/dbraw/zinc/76/72/92/574767292.db2.gz AFNSRBLRBLJXTQ-AATRIKPKSA-N 1 2 326.322 3.175 20 30 EGEDLO C#Cc1ccc(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)nc1 ZINC000728801340 574772515 /nfs/dbraw/zinc/77/25/15/574772515.db2.gz RPBRHLSIBLCLBQ-UHFFFAOYSA-N 1 2 330.391 3.391 20 30 EGEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc2ccccc2n1CC#N ZINC000729336878 574843626 /nfs/dbraw/zinc/84/36/26/574843626.db2.gz AMNYKSOKXQFHHJ-SFHVURJKSA-N 1 2 349.438 3.206 20 30 EGEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c1=S ZINC000729468325 574863066 /nfs/dbraw/zinc/86/30/66/574863066.db2.gz COWHIIMNOSUKBC-HNNXBMFYSA-N 1 2 332.448 3.495 20 30 EGEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)c1=S ZINC000729468325 574863068 /nfs/dbraw/zinc/86/30/68/574863068.db2.gz COWHIIMNOSUKBC-HNNXBMFYSA-N 1 2 332.448 3.495 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000730280932 574965545 /nfs/dbraw/zinc/96/55/45/574965545.db2.gz IAOMSNXGUNQZBJ-FQEVSTJZSA-N 1 2 345.402 3.387 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000730280932 574965546 /nfs/dbraw/zinc/96/55/46/574965546.db2.gz IAOMSNXGUNQZBJ-FQEVSTJZSA-N 1 2 345.402 3.387 20 30 EGEDLO C=CC[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccncc1 ZINC000734459216 575494635 /nfs/dbraw/zinc/49/46/35/575494635.db2.gz JZGMVOIGCJDUQF-LJQANCHMSA-N 1 2 332.407 3.374 20 30 EGEDLO C=CCNc1nc(C(=O)OCc2[nH+]cc(C)c(OC)c2C)cs1 ZINC000736754688 576020937 /nfs/dbraw/zinc/02/09/37/576020937.db2.gz GRERPOZYZAIILS-UHFFFAOYSA-N 1 2 333.413 3.118 20 30 EGEDLO CC(C)(C)OC(=O)NC1CCC(/[NH+]=C/c2cccc(O)c2O)CC1 ZINC000739426213 576410587 /nfs/dbraw/zinc/41/05/87/576410587.db2.gz KCDGKVHFPRHQRV-YBFXNURJSA-N 1 2 334.416 3.353 20 30 EGEDLO C=CCn1c(=S)n(C[N@@H+]2CCCC3(CCOCC3)C2)nc1C1CC1 ZINC000742159422 576753375 /nfs/dbraw/zinc/75/33/75/576753375.db2.gz QOXCVVJRWYSAHU-UHFFFAOYSA-N 1 2 348.516 3.328 20 30 EGEDLO C=CCn1c(=S)n(C[N@H+]2CCCC3(CCOCC3)C2)nc1C1CC1 ZINC000742159422 576753377 /nfs/dbraw/zinc/75/33/77/576753377.db2.gz QOXCVVJRWYSAHU-UHFFFAOYSA-N 1 2 348.516 3.328 20 30 EGEDLO COc1ccc(C(N)=[NH+]OCCOc2ccc(SC)cc2)cc1 ZINC000742354845 576772331 /nfs/dbraw/zinc/77/23/31/576772331.db2.gz OUQHWRDCBMEPFY-UHFFFAOYSA-N 1 2 332.425 3.133 20 30 EGEDLO CCN(CCO)c1ccc(C=[NH+]Nc2ccc(Cl)nc2)c(C)c1 ZINC000743451734 576809502 /nfs/dbraw/zinc/80/95/02/576809502.db2.gz KBHXAKHMQZGJPM-UHFFFAOYSA-N 1 2 332.835 3.308 20 30 EGEDLO N#Cc1ccc(-c2ccn(C[N@@H+]3CCO[C@@H](c4ccccc4)C3)n2)cc1 ZINC000744129467 576821001 /nfs/dbraw/zinc/82/10/01/576821001.db2.gz VCXPIJGFLTUERD-OAQYLSRUSA-N 1 2 344.418 3.453 20 30 EGEDLO N#Cc1ccc(-c2ccn(C[N@H+]3CCO[C@@H](c4ccccc4)C3)n2)cc1 ZINC000744129467 576821002 /nfs/dbraw/zinc/82/10/02/576821002.db2.gz VCXPIJGFLTUERD-OAQYLSRUSA-N 1 2 344.418 3.453 20 30 EGEDLO CCn1c2ccccc2[nH+]c1CCNc1nc2c(cc1C#N)CCC2 ZINC000744180535 576822407 /nfs/dbraw/zinc/82/24/07/576822407.db2.gz RUHYFUUGVGDKDC-UHFFFAOYSA-N 1 2 331.423 3.466 20 30 EGEDLO CC[N@H+](C)[C@H](C(=O)OCCOc1ccccc1C#N)c1ccccc1 ZINC000745100037 576841073 /nfs/dbraw/zinc/84/10/73/576841073.db2.gz LSRWFVUVTXDIGG-IBGZPJMESA-N 1 2 338.407 3.173 20 30 EGEDLO CC[N@@H+](C)[C@H](C(=O)OCCOc1ccccc1C#N)c1ccccc1 ZINC000745100037 576841074 /nfs/dbraw/zinc/84/10/74/576841074.db2.gz LSRWFVUVTXDIGG-IBGZPJMESA-N 1 2 338.407 3.173 20 30 EGEDLO C=CCN1C(=O)/C(=C\c2ccc(-n3cc[nH+]c3)cc2)SC1=S ZINC000007900469 1291094527 /nfs/dbraw/zinc/09/45/27/1291094527.db2.gz ZWPSDEQKVLCTJQ-GXDHUFHOSA-N 1 2 327.434 3.260 20 30 EGEDLO C#Cc1cnc(N2CC[NH+]([C@H](CC)c3ccc(F)cc3F)CC2)nc1 ZINC000827684705 1292356142 /nfs/dbraw/zinc/35/61/42/1292356142.db2.gz FZFKNKDBTFNOHY-GOSISDBHSA-N 1 2 342.393 3.009 20 30 EGEDLO C#CC1CC[NH+](Cc2nc(COc3cc(C)cc(C)c3)no2)CC1 ZINC000830343395 1292708759 /nfs/dbraw/zinc/70/87/59/1292708759.db2.gz VWQKBKKVKYFSGX-UHFFFAOYSA-N 1 2 325.412 3.111 20 30 EGEDLO NC(Cc1cccnc1)=[NH+]OCc1ccc(OC(F)(F)F)cc1 ZINC000092915202 1292898999 /nfs/dbraw/zinc/89/89/99/1292898999.db2.gz HYRZXUTXQFJKKD-UHFFFAOYSA-N 1 2 325.290 3.012 20 30 EGEDLO C#Cc1cccc(N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000103030995 1292990681 /nfs/dbraw/zinc/99/06/81/1292990681.db2.gz YQIAACOHIFOJRD-UHFFFAOYSA-N 1 2 346.346 3.038 20 30 EGEDLO NC(Cc1cccnc1)=[NH+]OCc1ccc(F)cc1Br ZINC000137645405 1293830346 /nfs/dbraw/zinc/83/03/46/1293830346.db2.gz UHTDIYZZESEYMW-UHFFFAOYSA-N 1 2 338.180 3.015 20 30 EGEDLO C#CCCOc1ccc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000154963173 1294078037 /nfs/dbraw/zinc/07/80/37/1294078037.db2.gz PDYZHXUULMGMDT-UHFFFAOYSA-N 1 2 348.446 3.047 20 30 EGEDLO Cc1sc(NC(=O)CO[NH+]=C(N)c2ccc(F)c(C)c2)c(C)c1C ZINC000174125020 1294481356 /nfs/dbraw/zinc/48/13/56/1294481356.db2.gz OMVRHZHIKQZDLY-UHFFFAOYSA-N 1 2 349.431 3.396 20 30 EGEDLO N#Cc1ccc(O)c(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000179728995 1294820090 /nfs/dbraw/zinc/82/00/90/1294820090.db2.gz VIYUBSVJJUOJBJ-GOSISDBHSA-N 1 2 335.407 3.257 20 30 EGEDLO N#Cc1ccc(O)c(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000179728995 1294820101 /nfs/dbraw/zinc/82/01/01/1294820101.db2.gz VIYUBSVJJUOJBJ-GOSISDBHSA-N 1 2 335.407 3.257 20 30 EGEDLO N#CCOc1ccc(C[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)cc1 ZINC000188180634 1295442741 /nfs/dbraw/zinc/44/27/41/1295442741.db2.gz UZZNWDZBQNIEHF-GOSISDBHSA-N 1 2 336.370 3.330 20 30 EGEDLO C=CCN(C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)C(C)C ZINC000745867840 1298493035 /nfs/dbraw/zinc/49/30/35/1298493035.db2.gz CRYCXAHUSDEYOV-UHFFFAOYSA-N 1 2 344.503 3.327 20 30 EGEDLO Cc1cc([NH2+][C@H](C)CC2(C#N)CCOCC2)ccc1N1CCOCC1 ZINC000877196068 1299203156 /nfs/dbraw/zinc/20/31/56/1299203156.db2.gz SMDMYNQOLKMCKP-QGZVFWFLSA-N 1 2 343.471 3.343 20 30 EGEDLO NC(=[NH+]OCc1ncc(-c2ccccc2F)o1)c1ccc(F)cc1 ZINC000754275365 1300113794 /nfs/dbraw/zinc/11/37/94/1300113794.db2.gz AWIGDJPUXOOSLZ-UHFFFAOYSA-N 1 2 329.306 3.457 20 30 EGEDLO C#C[C@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)C(C)(C)C ZINC000878663797 1300133875 /nfs/dbraw/zinc/13/38/75/1300133875.db2.gz QLIXGKRVLRSHIG-KRWDZBQOSA-N 1 2 340.427 3.132 20 30 EGEDLO CC(=O)[C@@](C#N)(CC[N@H+]1C[C@@H](C)OC2(CCC2)C1)c1ccccc1 ZINC000878770860 1300183218 /nfs/dbraw/zinc/18/32/18/1300183218.db2.gz WJQGWCYNSFLFDC-UZLBHIALSA-N 1 2 326.440 3.070 20 30 EGEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1C[C@@H](C)OC2(CCC2)C1)c1ccccc1 ZINC000878770860 1300183223 /nfs/dbraw/zinc/18/32/23/1300183223.db2.gz WJQGWCYNSFLFDC-UZLBHIALSA-N 1 2 326.440 3.070 20 30 EGEDLO C=CCc1cc(OC)cc(C[N@@H+]2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c1O ZINC000754736396 1300204867 /nfs/dbraw/zinc/20/48/67/1300204867.db2.gz KDHZFVRSXHXIHX-IAQYHMDHSA-N 1 2 345.361 3.281 20 30 EGEDLO C=CCc1cc(OC)cc(C[N@H+]2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c1O ZINC000754736396 1300204875 /nfs/dbraw/zinc/20/48/75/1300204875.db2.gz KDHZFVRSXHXIHX-IAQYHMDHSA-N 1 2 345.361 3.281 20 30 EGEDLO C=CCCC(=O)COC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000754949254 1300251067 /nfs/dbraw/zinc/25/10/67/1300251067.db2.gz BQVTXRREZPPJEX-UHFFFAOYSA-N 1 2 339.395 3.089 20 30 EGEDLO C#CCSCC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756741280 1300558880 /nfs/dbraw/zinc/55/88/80/1300558880.db2.gz WYOHQIVUJWQGMA-SECBINFHSA-N 1 2 332.238 3.311 20 30 EGEDLO CC[C@@H]1CCC[C@@H]1N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000756775055 1300563799 /nfs/dbraw/zinc/56/37/99/1300563799.db2.gz LWOURFVQLWQICC-KGLIPLIRSA-N 1 2 338.455 3.225 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000758034110 1300775761 /nfs/dbraw/zinc/77/57/61/1300775761.db2.gz DOWRNHVDIOWMGV-HZPDHXFCSA-N 1 2 340.427 3.017 20 30 EGEDLO Brc1cncc(N[NH+]=Cc2ccc(N3CCCC3)nc2)c1 ZINC000758122329 1300791082 /nfs/dbraw/zinc/79/10/82/1300791082.db2.gz KJBHZXFTJREYFC-UHFFFAOYSA-N 1 2 346.232 3.285 20 30 EGEDLO N#Cc1cccn(C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)c1=O ZINC000758197836 1300810332 /nfs/dbraw/zinc/81/03/32/1300810332.db2.gz LAVGLPGEZMVOLV-INIZCTEOSA-N 1 2 327.815 3.038 20 30 EGEDLO N#Cc1cccn(C[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)c1=O ZINC000758197836 1300810349 /nfs/dbraw/zinc/81/03/49/1300810349.db2.gz LAVGLPGEZMVOLV-INIZCTEOSA-N 1 2 327.815 3.038 20 30 EGEDLO O=C(/C=C\c1c[nH+]c2ccc(Cl)cn12)c1cn(-c2ccccc2)nn1 ZINC000759119846 1301017659 /nfs/dbraw/zinc/01/76/59/1301017659.db2.gz DLLJCQSGDZMTKN-FPLPWBNLSA-N 1 2 349.781 3.465 20 30 EGEDLO Cc1cc(C#N)ccc1COC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000761008506 1301381735 /nfs/dbraw/zinc/38/17/35/1301381735.db2.gz SCUMKMQXROFJQV-INIZCTEOSA-N 1 2 334.419 3.357 20 30 EGEDLO Cc1cc(C#N)ccc1COC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000761008506 1301381744 /nfs/dbraw/zinc/38/17/44/1301381744.db2.gz SCUMKMQXROFJQV-INIZCTEOSA-N 1 2 334.419 3.357 20 30 EGEDLO C#CC[N@@H+](CC(=O)Nc1ccc(OCc2ccccc2)cc1)C1CC1 ZINC000763957796 1301988556 /nfs/dbraw/zinc/98/85/56/1301988556.db2.gz KXFZBJBMVBYYES-UHFFFAOYSA-N 1 2 334.419 3.302 20 30 EGEDLO C#CC[N@H+](CC(=O)Nc1ccc(OCc2ccccc2)cc1)C1CC1 ZINC000763957796 1301988562 /nfs/dbraw/zinc/98/85/62/1301988562.db2.gz KXFZBJBMVBYYES-UHFFFAOYSA-N 1 2 334.419 3.302 20 30 EGEDLO Cc1ccccc1[C@@H](CO)[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000886433443 1303466165 /nfs/dbraw/zinc/46/61/65/1303466165.db2.gz KCTKMTIXSKYFAU-GOSISDBHSA-N 1 2 348.406 3.082 20 30 EGEDLO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000886433443 1303466166 /nfs/dbraw/zinc/46/61/66/1303466166.db2.gz KCTKMTIXSKYFAU-GOSISDBHSA-N 1 2 348.406 3.082 20 30 EGEDLO C=CC[N@H+](Cn1c2cc(F)c(Br)cc2oc1=O)C(C)C ZINC000773295679 1303656530 /nfs/dbraw/zinc/65/65/30/1303656530.db2.gz UMOWXQWIPMTSPZ-UHFFFAOYSA-N 1 2 343.196 3.350 20 30 EGEDLO C=CC[N@@H+](Cn1c2cc(F)c(Br)cc2oc1=O)C(C)C ZINC000773295679 1303656538 /nfs/dbraw/zinc/65/65/38/1303656538.db2.gz UMOWXQWIPMTSPZ-UHFFFAOYSA-N 1 2 343.196 3.350 20 30 EGEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000778571116 1304467776 /nfs/dbraw/zinc/46/77/76/1304467776.db2.gz YAJCRMRTZLDTSB-OAHLLOKOSA-N 1 2 330.819 3.253 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]C/C=C/c2ccccc2)[C@@H](C#N)C1 ZINC000779422501 1304569803 /nfs/dbraw/zinc/56/98/03/1304569803.db2.gz ORDKDMYYWZSGRZ-RRUDCUFVSA-N 1 2 327.428 3.048 20 30 EGEDLO Cc1ccc(NC(=O)Nc2ccccc2O[C@@H](C)C#N)c(N(C)C)[nH+]1 ZINC000780605572 1304714722 /nfs/dbraw/zinc/71/47/22/1304714722.db2.gz VXFMDDISYMKWHX-ZDUSSCGKSA-N 1 2 339.399 3.391 20 30 EGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000780670898 1304723981 /nfs/dbraw/zinc/72/39/81/1304723981.db2.gz RSPMNIDHMDACRN-LSDHHAIUSA-N 1 2 339.399 3.043 20 30 EGEDLO COc1cccc(CO[NH+]=C(N)c2ccc(Br)cc2)c1 ZINC000782949083 1305027968 /nfs/dbraw/zinc/02/79/68/1305027968.db2.gz POMWNNFOOCXGCI-UHFFFAOYSA-N 1 2 335.201 3.295 20 30 EGEDLO CC(C)(C#N)CCCOC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000783502542 1305100218 /nfs/dbraw/zinc/10/02/18/1305100218.db2.gz SWXIMRSPPCHSDO-GOSISDBHSA-N 1 2 344.455 3.058 20 30 EGEDLO N#Cc1ncc(Br)cc1NCCCCNc1cccc[nH+]1 ZINC000787897446 1305819563 /nfs/dbraw/zinc/81/95/63/1305819563.db2.gz YRDNLDNCXDNTGQ-UHFFFAOYSA-N 1 2 346.232 3.415 20 30 EGEDLO C#CC(C)(C)[N@H+](C)Cc1nc(-c2cccc(Br)c2)no1 ZINC000787997242 1305841336 /nfs/dbraw/zinc/84/13/36/1305841336.db2.gz ITOIRSFLPRBMHA-UHFFFAOYSA-N 1 2 334.217 3.343 20 30 EGEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(-c2cccc(Br)c2)no1 ZINC000787997242 1305841350 /nfs/dbraw/zinc/84/13/50/1305841350.db2.gz ITOIRSFLPRBMHA-UHFFFAOYSA-N 1 2 334.217 3.343 20 30 EGEDLO C#CCC1(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCCCC1 ZINC000788446836 1305944065 /nfs/dbraw/zinc/94/40/65/1305944065.db2.gz CIDMIRXMFLDIJI-UHFFFAOYSA-N 1 2 340.467 3.431 20 30 EGEDLO N#Cc1c(=O)n(C[N@@H+]2CCC=C(c3ccccc3)C2)cc2c1CCCC2 ZINC000793518873 1309391867 /nfs/dbraw/zinc/39/18/67/1309391867.db2.gz YLIZAVGITXYPHM-UHFFFAOYSA-N 1 2 345.446 3.346 20 30 EGEDLO N#Cc1c(=O)n(C[N@H+]2CCC=C(c3ccccc3)C2)cc2c1CCCC2 ZINC000793518873 1309391879 /nfs/dbraw/zinc/39/18/79/1309391879.db2.gz YLIZAVGITXYPHM-UHFFFAOYSA-N 1 2 345.446 3.346 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccccc1)CN1C(=O)NC2(CCCCC2)C1=O ZINC000794650326 1309563524 /nfs/dbraw/zinc/56/35/24/1309563524.db2.gz IZSYFGZCUGJPLG-UHFFFAOYSA-N 1 2 341.455 3.277 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccccc1)CN1C(=O)NC2(CCCCC2)C1=O ZINC000794650326 1309563549 /nfs/dbraw/zinc/56/35/49/1309563549.db2.gz IZSYFGZCUGJPLG-UHFFFAOYSA-N 1 2 341.455 3.277 20 30 EGEDLO Cc1cccc(C[N@H+](C)Cc2nc3ccccc3c(=O)n2CC#N)c1C ZINC000794650085 1309563695 /nfs/dbraw/zinc/56/36/95/1309563695.db2.gz QAOOVOYHPBOXFD-UHFFFAOYSA-N 1 2 346.434 3.169 20 30 EGEDLO Cc1cccc(C[N@@H+](C)Cc2nc3ccccc3c(=O)n2CC#N)c1C ZINC000794650085 1309563704 /nfs/dbraw/zinc/56/37/04/1309563704.db2.gz QAOOVOYHPBOXFD-UHFFFAOYSA-N 1 2 346.434 3.169 20 30 EGEDLO CN(C)c1cc(F)ccc1C(=O)/C=C/c1ncc(C[NH+](C)C)s1 ZINC000794704152 1309578499 /nfs/dbraw/zinc/57/84/99/1309578499.db2.gz YWPWSLZFWIAVFM-BQYQJAHWSA-N 1 2 333.432 3.306 20 30 EGEDLO Cc1nn(-c2ccccc2)c(N)c1C=[NH+][N-]c1cc[nH+]c2ccccc12 ZINC000794910448 1309619497 /nfs/dbraw/zinc/61/94/97/1309619497.db2.gz YWYVHUDJLLKWJU-UHFFFAOYSA-N 1 2 342.406 3.179 20 30 EGEDLO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]Nc1ccnc2ccccc21 ZINC000794910448 1309619503 /nfs/dbraw/zinc/61/95/03/1309619503.db2.gz YWYVHUDJLLKWJU-UHFFFAOYSA-N 1 2 342.406 3.179 20 30 EGEDLO Cc1cc(Br)cn2c(CN3CCC[C@H](C#N)C3)c[nH+]c12 ZINC000896503205 1309889698 /nfs/dbraw/zinc/88/96/98/1309889698.db2.gz JKIKQNCLDGBRMH-GFCCVEGCSA-N 1 2 333.233 3.141 20 30 EGEDLO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(F)(F)CC2)c1C ZINC000796543050 1310026032 /nfs/dbraw/zinc/02/60/32/1310026032.db2.gz ONRBXVPTBMDFNV-UHFFFAOYSA-N 1 2 335.398 3.281 20 30 EGEDLO C#CC[N@@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)Cc1ccccc1 ZINC000796639377 1310054351 /nfs/dbraw/zinc/05/43/51/1310054351.db2.gz KXXNKBBMQQYZKH-JOCHJYFZSA-N 1 2 332.447 3.389 20 30 EGEDLO C#CC[N@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)Cc1ccccc1 ZINC000796639377 1310054361 /nfs/dbraw/zinc/05/43/61/1310054361.db2.gz KXXNKBBMQQYZKH-JOCHJYFZSA-N 1 2 332.447 3.389 20 30 EGEDLO Cc1ccc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1C#N ZINC000799719462 1310604634 /nfs/dbraw/zinc/60/46/34/1310604634.db2.gz MGQAMICCEJLSGZ-UHFFFAOYSA-N 1 2 336.439 3.396 20 30 EGEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1c(F)cccc1N1CCOCC1 ZINC000901479995 1317433854 /nfs/dbraw/zinc/43/38/54/1317433854.db2.gz LYYSJPONHPTUBF-VOTSOKGWSA-N 1 2 343.402 3.336 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc(C(=O)OCC)o1 ZINC000809742846 1317887784 /nfs/dbraw/zinc/88/77/84/1317887784.db2.gz GKBLHSNRWARXFQ-UHFFFAOYSA-N 1 2 347.798 3.412 20 30 EGEDLO C=CC[N@H+](Cc1ccccc1)CN1C(=O)C(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000811731764 1318241942 /nfs/dbraw/zinc/24/19/42/1318241942.db2.gz IWPSHAOXCYXUCS-ZWKOTPCHSA-N 1 2 328.456 3.048 20 30 EGEDLO C=CC[N@@H+](Cc1ccccc1)CN1C(=O)C(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000811731764 1318241954 /nfs/dbraw/zinc/24/19/54/1318241954.db2.gz IWPSHAOXCYXUCS-ZWKOTPCHSA-N 1 2 328.456 3.048 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)CN1CC[C@H](Cc2ccccc2)C1=O ZINC000811760848 1318257341 /nfs/dbraw/zinc/25/73/41/1318257341.db2.gz JJKAFLUKVXXFOR-LJQANCHMSA-N 1 2 338.451 3.359 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)CN1CC[C@H](Cc2ccccc2)C1=O ZINC000811760848 1318257348 /nfs/dbraw/zinc/25/73/48/1318257348.db2.gz JJKAFLUKVXXFOR-LJQANCHMSA-N 1 2 338.451 3.359 20 30 EGEDLO C[C@H](C#N)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC000960503824 1318612903 /nfs/dbraw/zinc/61/29/03/1318612903.db2.gz VGTXKQLUSAKUTO-KGLIPLIRSA-N 1 2 348.516 3.023 20 30 EGEDLO C[C@H](C#N)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC000960503824 1318612912 /nfs/dbraw/zinc/61/29/12/1318612912.db2.gz VGTXKQLUSAKUTO-KGLIPLIRSA-N 1 2 348.516 3.023 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1nc(C)oc1C ZINC000960825339 1318950007 /nfs/dbraw/zinc/95/00/07/1318950007.db2.gz HGOCIGRERMWNJO-LPHOPBHVSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nc(C)oc1C ZINC000960825339 1318950019 /nfs/dbraw/zinc/95/00/19/1318950019.db2.gz HGOCIGRERMWNJO-LPHOPBHVSA-N 1 2 333.476 3.317 20 30 EGEDLO CCC1(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2cc(F)ccc2C#N)CC1 ZINC000960827249 1318952450 /nfs/dbraw/zinc/95/24/50/1318952450.db2.gz OJWGKYBTPLZILQ-SFHVURJKSA-N 1 2 343.446 3.310 20 30 EGEDLO CCC1(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2cc(F)ccc2C#N)CC1 ZINC000960827249 1318952455 /nfs/dbraw/zinc/95/24/55/1318952455.db2.gz OJWGKYBTPLZILQ-SFHVURJKSA-N 1 2 343.446 3.310 20 30 EGEDLO COc1ccccc1C=NOCc1cccc(C[NH+]2CCOCC2)c1 ZINC000817377183 1319343727 /nfs/dbraw/zinc/34/37/27/1319343727.db2.gz KBQAVMQTUNKQSS-UHFFFAOYSA-N 1 2 340.423 3.078 20 30 EGEDLO N#Cc1ccc(C[NH2+][C@@H](c2nc(Br)cs2)C2CC2)nc1 ZINC000817584111 1319406465 /nfs/dbraw/zinc/40/64/65/1319406465.db2.gz RTQFZZYXABSMGM-CYBMUJFWSA-N 1 2 349.257 3.413 20 30 EGEDLO Nc1ccc(/C=C2/CCOc3cc(Br)ccc3C2=O)c[nH+]1 ZINC000821038702 1319995319 /nfs/dbraw/zinc/99/53/19/1319995319.db2.gz KTQVSZUPKIDLFS-XFFZJAGNSA-N 1 2 345.196 3.475 20 30 EGEDLO C#CC1CCN(c2nc(N3CCC(C#C)CC3)c(C3CC3)c[nH+]2)CC1 ZINC000826714696 1320399046 /nfs/dbraw/zinc/39/90/46/1320399046.db2.gz GCFMCIKBRAPIRU-UHFFFAOYSA-N 1 2 334.467 3.053 20 30 EGEDLO C#CC1CCN(c2cc(N3CCC(C#C)CC3)c3ccncc3[nH+]2)CC1 ZINC000826710723 1320399202 /nfs/dbraw/zinc/39/92/02/1320399202.db2.gz QRFGUIBPUSYXCH-UHFFFAOYSA-N 1 2 344.462 3.329 20 30 EGEDLO C#CC1CCN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000826873899 1320411156 /nfs/dbraw/zinc/41/11/56/1320411156.db2.gz UGQRBEIIRXPIJW-UHFFFAOYSA-N 1 2 342.830 3.081 20 30 EGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C#CC(C)(C)C ZINC000837444645 1320618416 /nfs/dbraw/zinc/61/84/16/1320618416.db2.gz PFIGFMWFXDRBLW-UHFFFAOYSA-N 1 2 327.472 3.196 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)O[C@@H]1CCC[C@@H](C#N)C1 ZINC000839059324 1320860880 /nfs/dbraw/zinc/86/08/80/1320860880.db2.gz OVOINPLZWISTKV-VXGBXAGGSA-N 1 2 333.338 3.249 20 30 EGEDLO C#CC[C@@H]([NH2+]CCCCc1cccc(C(F)(F)F)c1)C(=O)OC ZINC000839169653 1320883852 /nfs/dbraw/zinc/88/38/52/1320883852.db2.gz URBHXZSGQJSNLP-OAHLLOKOSA-N 1 2 327.346 3.183 20 30 EGEDLO C#Cc1ccc([C@H](OC(=O)CCCn2cc[nH+]c2)C(F)(F)F)cc1 ZINC000839432261 1320919203 /nfs/dbraw/zinc/91/92/03/1320919203.db2.gz KYVFWPAAPVYKIS-INIZCTEOSA-N 1 2 336.313 3.491 20 30 EGEDLO C=CCN1CCN(C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000839947510 1321000987 /nfs/dbraw/zinc/00/09/87/1321000987.db2.gz BULFWZJMVAWGME-UHFFFAOYSA-N 1 2 327.350 3.018 20 30 EGEDLO C=CCN1CCN(C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000839947510 1321000991 /nfs/dbraw/zinc/00/09/91/1321000991.db2.gz BULFWZJMVAWGME-UHFFFAOYSA-N 1 2 327.350 3.018 20 30 EGEDLO C=CCc1cc(C[N@@H+]2CC(C)(C)[C@H]2c2nccn2C)c(O)c(OC)c1 ZINC000840106908 1321030217 /nfs/dbraw/zinc/03/02/17/1321030217.db2.gz JZMURONAEGURIF-GOSISDBHSA-N 1 2 341.455 3.446 20 30 EGEDLO C=CCc1cc(C[N@H+]2CC(C)(C)[C@H]2c2nccn2C)c(O)c(OC)c1 ZINC000840106908 1321030222 /nfs/dbraw/zinc/03/02/22/1321030222.db2.gz JZMURONAEGURIF-GOSISDBHSA-N 1 2 341.455 3.446 20 30 EGEDLO C[C@@H](C#N)OCC[NH+]1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000844377990 1321596775 /nfs/dbraw/zinc/59/67/75/1321596775.db2.gz LBPJRJZOFKZIBT-LBPRGKRZSA-N 1 2 328.243 3.044 20 30 EGEDLO C[C@H](CC(=O)OCc1ccc(C#N)cc1Br)n1cc[nH+]c1 ZINC000844545130 1321619320 /nfs/dbraw/zinc/61/93/20/1321619320.db2.gz FGBPUAUCEBZZAH-LLVKDONJSA-N 1 2 348.200 3.212 20 30 EGEDLO C[C@H](CC(=O)OCc1cc(C#N)ccc1Br)n1cc[nH+]c1 ZINC000845284047 1321693920 /nfs/dbraw/zinc/69/39/20/1321693920.db2.gz JWVYFUCSGOMFKJ-LLVKDONJSA-N 1 2 348.200 3.212 20 30 EGEDLO C[C@@H](CC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)n1cc[nH+]c1 ZINC000845450622 1321708842 /nfs/dbraw/zinc/70/88/42/1321708842.db2.gz IKHOWAXGUJKCNM-RYUDHWBXSA-N 1 2 343.337 3.455 20 30 EGEDLO COc1c(C)c[nH+]c(CNC(=O)[C@@H](C)Cc2ccc(C#N)cc2)c1C ZINC000846843768 1321815892 /nfs/dbraw/zinc/81/58/92/1321815892.db2.gz CBMPAXIOJLBUPJ-ZDUSSCGKSA-N 1 2 337.423 3.074 20 30 EGEDLO N#Cc1sccc1N1CC[NH+](C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000852344548 1323180139 /nfs/dbraw/zinc/18/01/39/1323180139.db2.gz TZMINCUXHMARLO-INIZCTEOSA-N 1 2 347.871 3.129 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccco2)c(F)c1 ZINC001024304110 1323286481 /nfs/dbraw/zinc/28/64/81/1323286481.db2.gz VUXJOMONMMLVPG-INIZCTEOSA-N 1 2 341.386 3.075 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)c2ccco2)c(F)c1 ZINC001024304110 1323286492 /nfs/dbraw/zinc/28/64/92/1323286492.db2.gz VUXJOMONMMLVPG-INIZCTEOSA-N 1 2 341.386 3.075 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C(C)C)on1 ZINC001024579919 1323516707 /nfs/dbraw/zinc/51/67/07/1323516707.db2.gz OXUOAXQLRNOTOD-CYBMUJFWSA-N 1 2 325.840 3.135 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C(C)C)on1 ZINC001024579919 1323516709 /nfs/dbraw/zinc/51/67/09/1323516709.db2.gz OXUOAXQLRNOTOD-CYBMUJFWSA-N 1 2 325.840 3.135 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCCC[C@H]1C[NH2+]Cc1nc(CCC)no1 ZINC001025039749 1323841994 /nfs/dbraw/zinc/84/19/94/1323841994.db2.gz WPLFOUQYIMFNGR-HNNXBMFYSA-N 1 2 348.491 3.095 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(=O)C(C)(C)C ZINC001025213529 1324002535 /nfs/dbraw/zinc/00/25/35/1324002535.db2.gz MFHPTIYTPPWRQX-LSDHHAIUSA-N 1 2 340.895 3.200 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(=O)C(C)(C)C ZINC001025213529 1324002537 /nfs/dbraw/zinc/00/25/37/1324002537.db2.gz MFHPTIYTPPWRQX-LSDHHAIUSA-N 1 2 340.895 3.200 20 30 EGEDLO CCCCc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)cs1 ZINC001027330344 1325488793 /nfs/dbraw/zinc/48/87/93/1325488793.db2.gz NTPVTKJBKWJYKS-GOEBONIOSA-N 1 2 348.516 3.068 20 30 EGEDLO CCCCc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)cs1 ZINC001027330344 1325488797 /nfs/dbraw/zinc/48/87/97/1325488797.db2.gz NTPVTKJBKWJYKS-GOEBONIOSA-N 1 2 348.516 3.068 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([N@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC001027521925 1327793544 /nfs/dbraw/zinc/79/35/44/1327793544.db2.gz NUFIUWZHMDPTKS-HNNXBMFYSA-N 1 2 345.487 3.188 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC001027521925 1327793553 /nfs/dbraw/zinc/79/35/53/1327793553.db2.gz NUFIUWZHMDPTKS-HNNXBMFYSA-N 1 2 345.487 3.188 20 30 EGEDLO Cc1ccc(C(=O)/C=C\C(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000927074357 1327843907 /nfs/dbraw/zinc/84/39/07/1327843907.db2.gz LCGVYFVLAKWHSN-KTKRTIGZSA-N 1 2 349.434 3.232 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3csc(CC)n3)C2)C1 ZINC001027566454 1327892928 /nfs/dbraw/zinc/89/29/28/1327892928.db2.gz JFZTYZYZCHUULC-MRXNPFEDSA-N 1 2 347.528 3.485 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@H+](C)Cc3csc(CC)n3)C2)C1 ZINC001027566454 1327892937 /nfs/dbraw/zinc/89/29/37/1327892937.db2.gz JFZTYZYZCHUULC-MRXNPFEDSA-N 1 2 347.528 3.485 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H]1CNC(=O)c1cccs1 ZINC001027734169 1328159410 /nfs/dbraw/zinc/15/94/10/1328159410.db2.gz QUDRLAQHHAQZRO-INIZCTEOSA-N 1 2 325.437 3.014 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1CNC(=O)c1cccs1 ZINC001027734169 1328159416 /nfs/dbraw/zinc/15/94/16/1328159416.db2.gz QUDRLAQHHAQZRO-INIZCTEOSA-N 1 2 325.437 3.014 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc2scnc21 ZINC001027882608 1328348827 /nfs/dbraw/zinc/34/88/27/1328348827.db2.gz SURKFPPMNWRYAH-LBPRGKRZSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc2scnc21 ZINC001027882608 1328348834 /nfs/dbraw/zinc/34/88/34/1328348834.db2.gz SURKFPPMNWRYAH-LBPRGKRZSA-N 1 2 335.860 3.243 20 30 EGEDLO Cc1ccc(C#N)cc1C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000935409479 1330050912 /nfs/dbraw/zinc/05/09/12/1330050912.db2.gz FBPOGOIZMNONIS-OAHLLOKOSA-N 1 2 339.464 3.447 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2ccoc2)C(C)(C)C1 ZINC000940575190 1331116009 /nfs/dbraw/zinc/11/60/09/1331116009.db2.gz YXTICNRALQILJV-CYBMUJFWSA-N 1 2 341.249 3.019 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2ccoc2)C(C)(C)C1 ZINC000940575190 1331116012 /nfs/dbraw/zinc/11/60/12/1331116012.db2.gz YXTICNRALQILJV-CYBMUJFWSA-N 1 2 341.249 3.019 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)c2ccco2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000946991146 1332957939 /nfs/dbraw/zinc/95/79/39/1332957939.db2.gz LSANUPDYSPSJGJ-GUYCJALGSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)c2ccco2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000946991146 1332957940 /nfs/dbraw/zinc/95/79/40/1332957940.db2.gz LSANUPDYSPSJGJ-GUYCJALGSA-N 1 2 341.386 3.073 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CC2CCCC2)C[C@H]1C ZINC000947015045 1332974142 /nfs/dbraw/zinc/97/41/42/1332974142.db2.gz ZGEBOGDMMPYTAF-HIFRSBDPSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CC2CCCC2)C[C@H]1C ZINC000947015045 1332974144 /nfs/dbraw/zinc/97/41/44/1332974144.db2.gz ZGEBOGDMMPYTAF-HIFRSBDPSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2(C)CCC2)C[C@@H]1C ZINC000947611425 1333192062 /nfs/dbraw/zinc/19/20/62/1333192062.db2.gz LGUPHSUIGVOIQC-STQMWFEESA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2(C)CCC2)C[C@@H]1C ZINC000947611425 1333192065 /nfs/dbraw/zinc/19/20/65/1333192065.db2.gz LGUPHSUIGVOIQC-STQMWFEESA-N 1 2 329.282 3.054 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)C(C)(C)C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947961344 1333322172 /nfs/dbraw/zinc/32/21/72/1333322172.db2.gz AXRYHSWESCDOPD-CXAGYDPISA-N 1 2 331.435 3.213 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)C(C)(C)C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947961344 1333322176 /nfs/dbraw/zinc/32/21/76/1333322176.db2.gz AXRYHSWESCDOPD-CXAGYDPISA-N 1 2 331.435 3.213 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccccc1CC ZINC000948949439 1333743817 /nfs/dbraw/zinc/74/38/17/1333743817.db2.gz AXWJRWQFBFKLPS-NRFANRHFSA-N 1 2 332.447 3.211 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccccc1CC ZINC000948949439 1333743821 /nfs/dbraw/zinc/74/38/21/1333743821.db2.gz AXWJRWQFBFKLPS-NRFANRHFSA-N 1 2 332.447 3.211 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cnc(CC)s1 ZINC000948984938 1333759674 /nfs/dbraw/zinc/75/96/74/1333759674.db2.gz AERLDMJIJRADDL-INIZCTEOSA-N 1 2 341.480 3.221 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cnc(CC)s1 ZINC000948984938 1333759676 /nfs/dbraw/zinc/75/96/76/1333759676.db2.gz AERLDMJIJRADDL-INIZCTEOSA-N 1 2 341.480 3.221 20 30 EGEDLO C#Cc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000949593813 1333880755 /nfs/dbraw/zinc/88/07/55/1333880755.db2.gz OXDQJURYJKVBGZ-RMKNXTFCSA-N 1 2 330.431 3.139 20 30 EGEDLO Cc1cc(C)cc(CC(=O)N2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000949999465 1333988358 /nfs/dbraw/zinc/98/83/58/1333988358.db2.gz NIMIXSAVOWPKQC-UHFFFAOYSA-N 1 2 347.462 3.062 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[NH+](CCO[C@H]3CCCC[C@H]3C)CC2)C1 ZINC000950373156 1334053151 /nfs/dbraw/zinc/05/31/51/1334053151.db2.gz IWRDWZLWECBTKX-MSOLQXFVSA-N 1 2 334.504 3.082 20 30 EGEDLO C=CCOc1ccccc1C(=O)N(CC)C1C[NH+](CC=C(C)C)C1 ZINC000950645583 1334103180 /nfs/dbraw/zinc/10/31/80/1334103180.db2.gz SGHPDLSSKJIBNY-UHFFFAOYSA-N 1 2 328.456 3.364 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(C)n(C(CC)CC)n2)C1 ZINC000950691004 1334117962 /nfs/dbraw/zinc/11/79/62/1334117962.db2.gz UCKNULIJZROMMZ-UHFFFAOYSA-N 1 2 332.492 3.275 20 30 EGEDLO C=C1CCC(C(=O)N(CC)C2C[NH+](CCOc3ccccc3)C2)CC1 ZINC000951608720 1334278545 /nfs/dbraw/zinc/27/85/45/1334278545.db2.gz JYOZEBPERWUUSW-UHFFFAOYSA-N 1 2 342.483 3.345 20 30 EGEDLO C[C@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)C1(F)CCCC1 ZINC000967034095 1335647104 /nfs/dbraw/zinc/64/71/04/1335647104.db2.gz ROQJFOMSNSGPQO-YJBOKZPZSA-N 1 2 343.446 3.167 20 30 EGEDLO C[C@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)C1(F)CCCC1 ZINC000967034095 1335647106 /nfs/dbraw/zinc/64/71/06/1335647106.db2.gz ROQJFOMSNSGPQO-YJBOKZPZSA-N 1 2 343.446 3.167 20 30 EGEDLO C=CCCC(=O)NCC1([NH2+]Cc2nnsc2Cl)CCCCC1 ZINC001115442658 1370454749 /nfs/dbraw/zinc/45/47/49/1370454749.db2.gz KDNMQKLRRFXDGT-UHFFFAOYSA-N 1 2 342.896 3.066 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(F)c(OC)c2)C1 ZINC000968345187 1335895711 /nfs/dbraw/zinc/89/57/11/1335895711.db2.gz IQJVYAACJCICOK-ABAIWWIYSA-N 1 2 340.826 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(F)c(OC)c2)C1 ZINC000968345187 1335895712 /nfs/dbraw/zinc/89/57/12/1335895712.db2.gz IQJVYAACJCICOK-ABAIWWIYSA-N 1 2 340.826 3.027 20 30 EGEDLO Cc1cc(NCC[C@@H]2CCCCN2C(=O)[C@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001063822456 1352028278 /nfs/dbraw/zinc/02/82/78/1352028278.db2.gz BCRJARTVLONLID-ZBFHGGJFSA-N 1 2 343.475 3.251 20 30 EGEDLO C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(-c3ccco3)s2)C1 ZINC000968488859 1335938895 /nfs/dbraw/zinc/93/88/95/1335938895.db2.gz MLKZAUUHIICIGL-KBPBESRZSA-N 1 2 328.437 3.082 20 30 EGEDLO C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(-c3ccco3)s2)C1 ZINC000968488859 1335938896 /nfs/dbraw/zinc/93/88/96/1335938896.db2.gz MLKZAUUHIICIGL-KBPBESRZSA-N 1 2 328.437 3.082 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(Cl)cn2CC)C1 ZINC000968655169 1335998416 /nfs/dbraw/zinc/99/84/16/1335998416.db2.gz LZPUBZVAIHSFCC-FZMZJTMJSA-N 1 2 344.286 3.354 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(Cl)cn2CC)C1 ZINC000968655169 1335998418 /nfs/dbraw/zinc/99/84/18/1335998418.db2.gz LZPUBZVAIHSFCC-FZMZJTMJSA-N 1 2 344.286 3.354 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1cc(C2CC2)on1 ZINC000968971446 1336104988 /nfs/dbraw/zinc/10/49/88/1336104988.db2.gz LIVGOIIZCBVGLQ-AWEZNQCLSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1cc(C2CC2)on1 ZINC000968971446 1336104990 /nfs/dbraw/zinc/10/49/90/1336104990.db2.gz LIVGOIIZCBVGLQ-AWEZNQCLSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1cc(CCC)on1 ZINC000969096668 1336140804 /nfs/dbraw/zinc/14/08/04/1336140804.db2.gz BITKDFNNVXBHEM-AWEZNQCLSA-N 1 2 339.867 3.354 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1cc(CCC)on1 ZINC000969096668 1336140806 /nfs/dbraw/zinc/14/08/06/1336140806.db2.gz BITKDFNNVXBHEM-AWEZNQCLSA-N 1 2 339.867 3.354 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnc(-c3ccccc3)o2)C1 ZINC000969908604 1336259114 /nfs/dbraw/zinc/25/91/14/1336259114.db2.gz SYBHMTOUCNLYHA-ZDUSSCGKSA-N 1 2 345.830 3.144 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)C2(C)CC(=C)C2)CC1 ZINC001005933460 1336424856 /nfs/dbraw/zinc/42/48/56/1336424856.db2.gz YUMUTBZLIPTBIE-UHFFFAOYSA-N 1 2 341.293 3.174 20 30 EGEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)C1CCCC1 ZINC001006550812 1336523647 /nfs/dbraw/zinc/52/36/47/1336523647.db2.gz BLVPJILXRBDBKR-LJQANCHMSA-N 1 2 344.886 3.462 20 30 EGEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)C1CCCC1 ZINC001006550812 1336523650 /nfs/dbraw/zinc/52/36/50/1336523650.db2.gz BLVPJILXRBDBKR-LJQANCHMSA-N 1 2 344.886 3.462 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)C[C@@H]3C=CCC3)C2)c(F)c1 ZINC001006704786 1336559849 /nfs/dbraw/zinc/55/98/49/1336559849.db2.gz MJWDYOTUQGKBTN-QAPCUYQASA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)C[C@@H]3C=CCC3)C2)c(F)c1 ZINC001006704786 1336559851 /nfs/dbraw/zinc/55/98/51/1336559851.db2.gz MJWDYOTUQGKBTN-QAPCUYQASA-N 1 2 341.430 3.134 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)oc1C ZINC001007113849 1336645713 /nfs/dbraw/zinc/64/57/13/1336645713.db2.gz REYKZIDGYNHEDO-GOSISDBHSA-N 1 2 337.423 3.163 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)oc1C ZINC001007113849 1336645715 /nfs/dbraw/zinc/64/57/15/1336645715.db2.gz REYKZIDGYNHEDO-GOSISDBHSA-N 1 2 337.423 3.163 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC001007635872 1336681465 /nfs/dbraw/zinc/68/14/65/1336681465.db2.gz JOEXETVPVRDWEL-RTBURBONSA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC001007635872 1336681468 /nfs/dbraw/zinc/68/14/68/1336681468.db2.gz JOEXETVPVRDWEL-RTBURBONSA-N 1 2 337.467 3.219 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001008263141 1336808756 /nfs/dbraw/zinc/80/87/56/1336808756.db2.gz XECFBSXNVNBZKT-WFASDCNBSA-N 1 2 334.847 3.129 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001008263141 1336808757 /nfs/dbraw/zinc/80/87/57/1336808757.db2.gz XECFBSXNVNBZKT-WFASDCNBSA-N 1 2 334.847 3.129 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+]([C@@H](C)c3ncc(C)o3)C2)CC1 ZINC001008412788 1336845331 /nfs/dbraw/zinc/84/53/31/1336845331.db2.gz TVRUJNKNDNIXHH-RDJZCZTQSA-N 1 2 331.460 3.371 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)c3ncc(C)o3)C2)CC1 ZINC001008412788 1336845334 /nfs/dbraw/zinc/84/53/34/1336845334.db2.gz TVRUJNKNDNIXHH-RDJZCZTQSA-N 1 2 331.460 3.371 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3ccnc(Cl)c3)C2)C1 ZINC001008437345 1336853360 /nfs/dbraw/zinc/85/33/60/1336853360.db2.gz LHMJMCXOTHQUEE-OAHLLOKOSA-N 1 2 333.863 3.172 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccnc(Cl)c3)C2)C1 ZINC001008437345 1336853361 /nfs/dbraw/zinc/85/33/61/1336853361.db2.gz LHMJMCXOTHQUEE-OAHLLOKOSA-N 1 2 333.863 3.172 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3cccc(Cl)n3)C2)C1 ZINC001008438456 1336853366 /nfs/dbraw/zinc/85/33/66/1336853366.db2.gz ZAJVPVNIQDNPSD-HNNXBMFYSA-N 1 2 333.863 3.172 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3cccc(Cl)n3)C2)C1 ZINC001008438456 1336853367 /nfs/dbraw/zinc/85/33/67/1336853367.db2.gz ZAJVPVNIQDNPSD-HNNXBMFYSA-N 1 2 333.863 3.172 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001008460000 1336861425 /nfs/dbraw/zinc/86/14/25/1336861425.db2.gz RDEOLKHFFNWKIU-KBAYOESNSA-N 1 2 343.446 3.214 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001008460000 1336861427 /nfs/dbraw/zinc/86/14/27/1336861427.db2.gz RDEOLKHFFNWKIU-KBAYOESNSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c3c2cccc3C)C1 ZINC001008764724 1336923207 /nfs/dbraw/zinc/92/32/07/1336923207.db2.gz CJQJGBKFHPIFKK-MRXNPFEDSA-N 1 2 345.874 3.352 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c3c2cccc3C)C1 ZINC001008764724 1336923213 /nfs/dbraw/zinc/92/32/13/1336923213.db2.gz CJQJGBKFHPIFKK-MRXNPFEDSA-N 1 2 345.874 3.352 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3cccc(OC)c32)C1 ZINC001008803032 1336928253 /nfs/dbraw/zinc/92/82/53/1336928253.db2.gz XLZOZUXMCSUSPS-JKSUJKDBSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3cccc(OC)c32)C1 ZINC001008803032 1336928255 /nfs/dbraw/zinc/92/82/55/1336928255.db2.gz XLZOZUXMCSUSPS-JKSUJKDBSA-N 1 2 348.874 3.058 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)cs1 ZINC001008873237 1336935519 /nfs/dbraw/zinc/93/55/19/1336935519.db2.gz ANQDAHUEUAXWEJ-CQSZACIVSA-N 1 2 345.493 3.384 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)cs1 ZINC001008873237 1336935521 /nfs/dbraw/zinc/93/55/21/1336935521.db2.gz ANQDAHUEUAXWEJ-CQSZACIVSA-N 1 2 345.493 3.384 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC001009031563 1336957226 /nfs/dbraw/zinc/95/72/26/1336957226.db2.gz UFXIOCFKIACUEG-GOSISDBHSA-N 1 2 348.450 3.158 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC001009031563 1336957228 /nfs/dbraw/zinc/95/72/28/1336957228.db2.gz UFXIOCFKIACUEG-GOSISDBHSA-N 1 2 348.450 3.158 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@]2(C)CCc3ccccc32)C1 ZINC001009692858 1337060672 /nfs/dbraw/zinc/06/06/72/1337060672.db2.gz SXVXLRDPSREEJX-QFBILLFUSA-N 1 2 332.875 3.224 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@]2(C)CCc3ccccc32)C1 ZINC001009692858 1337060676 /nfs/dbraw/zinc/06/06/76/1337060676.db2.gz SXVXLRDPSREEJX-QFBILLFUSA-N 1 2 332.875 3.224 20 30 EGEDLO Cc1ccsc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001009940522 1337116242 /nfs/dbraw/zinc/11/62/42/1337116242.db2.gz GJTQXQPZKLYASB-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1ccsc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001009940522 1337116243 /nfs/dbraw/zinc/11/62/43/1337116243.db2.gz GJTQXQPZKLYASB-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1sccc1Cl ZINC001014521331 1337805991 /nfs/dbraw/zinc/80/59/91/1337805991.db2.gz IVSLHFJUQUJTHK-HNNXBMFYSA-N 1 2 344.867 3.257 20 30 EGEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1sccc1Cl ZINC001014521331 1337805996 /nfs/dbraw/zinc/80/59/96/1337805996.db2.gz IVSLHFJUQUJTHK-HNNXBMFYSA-N 1 2 344.867 3.257 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001014912820 1337948224 /nfs/dbraw/zinc/94/82/24/1337948224.db2.gz ASGHWJGJNYBXEF-PXNSSMCTSA-N 1 2 337.467 3.385 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001014912820 1337948227 /nfs/dbraw/zinc/94/82/27/1337948227.db2.gz ASGHWJGJNYBXEF-PXNSSMCTSA-N 1 2 337.467 3.385 20 30 EGEDLO CC1(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)CCC1 ZINC001015532090 1338171985 /nfs/dbraw/zinc/17/19/85/1338171985.db2.gz DHYQCZISDMINFP-KRWDZBQOSA-N 1 2 330.859 3.072 20 30 EGEDLO CC1(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)CCC1 ZINC001015532090 1338171988 /nfs/dbraw/zinc/17/19/88/1338171988.db2.gz DHYQCZISDMINFP-KRWDZBQOSA-N 1 2 330.859 3.072 20 30 EGEDLO CC1(C)CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001015556755 1338179977 /nfs/dbraw/zinc/17/99/77/1338179977.db2.gz LQDGPUOPNZONHR-SJORKVTESA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001015556755 1338179978 /nfs/dbraw/zinc/17/99/78/1338179978.db2.gz LQDGPUOPNZONHR-SJORKVTESA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1)c1cccs1 ZINC001015691198 1338261737 /nfs/dbraw/zinc/26/17/37/1338261737.db2.gz ZPYMLVKMFQVOJB-PBHICJAKSA-N 1 2 339.464 3.114 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1)c1cccs1 ZINC001015691198 1338261740 /nfs/dbraw/zinc/26/17/40/1338261740.db2.gz ZPYMLVKMFQVOJB-PBHICJAKSA-N 1 2 339.464 3.114 20 30 EGEDLO C=Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)cc1 ZINC001015739910 1338281215 /nfs/dbraw/zinc/28/12/15/1338281215.db2.gz JOMLWZXROWONQJ-NRFANRHFSA-N 1 2 348.421 3.325 20 30 EGEDLO C=Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)cc1 ZINC001015739910 1338281221 /nfs/dbraw/zinc/28/12/21/1338281221.db2.gz JOMLWZXROWONQJ-NRFANRHFSA-N 1 2 348.421 3.325 20 30 EGEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)C1(F)CCCCC1 ZINC001015941821 1338367340 /nfs/dbraw/zinc/36/73/40/1338367340.db2.gz AWKVBEGEYQXGCY-GOSISDBHSA-N 1 2 346.421 3.040 20 30 EGEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)C1(F)CCCCC1 ZINC001015941821 1338367342 /nfs/dbraw/zinc/36/73/42/1338367342.db2.gz AWKVBEGEYQXGCY-GOSISDBHSA-N 1 2 346.421 3.040 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(OCC(C)C)c2)C1 ZINC001016215127 1338512403 /nfs/dbraw/zinc/51/24/03/1338512403.db2.gz ZJKXUXZJMUXQTM-INIZCTEOSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(OCC(C)C)c2)C1 ZINC001016215127 1338512406 /nfs/dbraw/zinc/51/24/06/1338512406.db2.gz ZJKXUXZJMUXQTM-INIZCTEOSA-N 1 2 336.863 3.278 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001016223630 1338515193 /nfs/dbraw/zinc/51/51/93/1338515193.db2.gz XBYPXTKNOZUDBT-OAQYLSRUSA-N 1 2 345.446 3.051 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001016223630 1338515194 /nfs/dbraw/zinc/51/51/94/1338515194.db2.gz XBYPXTKNOZUDBT-OAQYLSRUSA-N 1 2 345.446 3.051 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]cc2-c2ccccc2)C1 ZINC001016250633 1338524439 /nfs/dbraw/zinc/52/44/39/1338524439.db2.gz PSENNXQWDVQTGW-OAHLLOKOSA-N 1 2 329.831 3.238 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]cc2-c2ccccc2)C1 ZINC001016250633 1338524445 /nfs/dbraw/zinc/52/44/45/1338524445.db2.gz PSENNXQWDVQTGW-OAHLLOKOSA-N 1 2 329.831 3.238 20 30 EGEDLO CC1=CC[C@@](C)(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC001016308512 1338541387 /nfs/dbraw/zinc/54/13/87/1338541387.db2.gz CZYQENPSYSZMMW-PZJWPPBQSA-N 1 2 337.467 3.385 20 30 EGEDLO CC1=CC[C@@](C)(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC001016308512 1338541389 /nfs/dbraw/zinc/54/13/89/1338541389.db2.gz CZYQENPSYSZMMW-PZJWPPBQSA-N 1 2 337.467 3.385 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2cccc3c2CCC3)C1 ZINC001016382917 1338583418 /nfs/dbraw/zinc/58/34/18/1338583418.db2.gz XVBLGRRYHFIVJT-IBGZPJMESA-N 1 2 345.446 3.051 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2cccc3c2CCC3)C1 ZINC001016382917 1338583420 /nfs/dbraw/zinc/58/34/20/1338583420.db2.gz XVBLGRRYHFIVJT-IBGZPJMESA-N 1 2 345.446 3.051 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1oc2ccc(F)cc2c1C ZINC001017620835 1339378162 /nfs/dbraw/zinc/37/81/62/1339378162.db2.gz GMSHKOLGTDFTRT-IYBDPMFKSA-N 1 2 340.398 3.192 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1oc2ccc(F)cc2c1C ZINC001017620835 1339378163 /nfs/dbraw/zinc/37/81/63/1339378163.db2.gz GMSHKOLGTDFTRT-IYBDPMFKSA-N 1 2 340.398 3.192 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1-c1ccncc1 ZINC001017661158 1339386331 /nfs/dbraw/zinc/38/63/31/1339386331.db2.gz RODCFNPTKAJXOQ-KDURUIRLSA-N 1 2 345.446 3.061 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1-c1ccncc1 ZINC001017661158 1339386334 /nfs/dbraw/zinc/38/63/34/1339386334.db2.gz RODCFNPTKAJXOQ-KDURUIRLSA-N 1 2 345.446 3.061 20 30 EGEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(Cl)oc2ccccc21 ZINC001017835906 1339428903 /nfs/dbraw/zinc/42/89/03/1339428903.db2.gz UNRGGVWZOVMANY-BETUJISGSA-N 1 2 328.799 3.008 20 30 EGEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(Cl)oc2ccccc21 ZINC001017835906 1339428906 /nfs/dbraw/zinc/42/89/06/1339428906.db2.gz UNRGGVWZOVMANY-BETUJISGSA-N 1 2 328.799 3.008 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1ccc(Cl)cc1 ZINC001017887210 1339440505 /nfs/dbraw/zinc/44/05/05/1339440505.db2.gz XDMVVAXMVWYHMW-OLMNPRSZSA-N 1 2 330.859 3.142 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1ccc(Cl)cc1 ZINC001017887210 1339440507 /nfs/dbraw/zinc/44/05/07/1339440507.db2.gz XDMVVAXMVWYHMW-OLMNPRSZSA-N 1 2 330.859 3.142 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC001018159960 1339518807 /nfs/dbraw/zinc/51/88/07/1339518807.db2.gz UUQDEZZWNGXDGN-MELADBBJSA-N 1 2 336.888 3.204 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC001018159960 1339518806 /nfs/dbraw/zinc/51/88/06/1339518806.db2.gz UUQDEZZWNGXDGN-MELADBBJSA-N 1 2 336.888 3.204 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ncc(C)s2)CC1 ZINC001028117547 1340438441 /nfs/dbraw/zinc/43/84/41/1340438441.db2.gz QRXPGSADOUONPC-INIZCTEOSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ncc(C)s2)CC1 ZINC001028117547 1340438442 /nfs/dbraw/zinc/43/84/42/1340438442.db2.gz QRXPGSADOUONPC-INIZCTEOSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnc(-c2ccccc2)[nH]1 ZINC001028172297 1340466832 /nfs/dbraw/zinc/46/68/32/1340466832.db2.gz STLRASFNEOBEBJ-HNNXBMFYSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnc(-c2ccccc2)[nH]1 ZINC001028172297 1340466834 /nfs/dbraw/zinc/46/68/34/1340466834.db2.gz STLRASFNEOBEBJ-HNNXBMFYSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC001028292733 1340543366 /nfs/dbraw/zinc/54/33/66/1340543366.db2.gz VZDWCVGBUOYRCL-HOCLYGCPSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC001028292733 1340543369 /nfs/dbraw/zinc/54/33/69/1340543369.db2.gz VZDWCVGBUOYRCL-HOCLYGCPSA-N 1 2 339.266 3.313 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C/C(Cl)=C\Cl)C2)cc1 ZINC001028730435 1340779081 /nfs/dbraw/zinc/77/90/81/1340779081.db2.gz IRJRLICSNTXFAI-FSEGOYHTSA-N 1 2 337.250 3.039 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C/C(Cl)=C\Cl)C2)cc1 ZINC001028730435 1340779083 /nfs/dbraw/zinc/77/90/83/1340779083.db2.gz IRJRLICSNTXFAI-FSEGOYHTSA-N 1 2 337.250 3.039 20 30 EGEDLO C/C(=C\C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1)C1CC1 ZINC001029232303 1340959185 /nfs/dbraw/zinc/95/91/85/1340959185.db2.gz VCCGWJVYRPSRAC-UKUVYACNSA-N 1 2 341.480 3.151 20 30 EGEDLO C/C(=C\C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1)C1CC1 ZINC001029232303 1340959187 /nfs/dbraw/zinc/95/91/87/1340959187.db2.gz VCCGWJVYRPSRAC-UKUVYACNSA-N 1 2 341.480 3.151 20 30 EGEDLO CC1(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(F)c(C#N)c2)CC1 ZINC001029394985 1340983119 /nfs/dbraw/zinc/98/31/19/1340983119.db2.gz GTHPPIHZKHCGNT-CALCHBBNSA-N 1 2 341.430 3.063 20 30 EGEDLO CC1(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(F)c(C#N)c2)CC1 ZINC001029394985 1340983120 /nfs/dbraw/zinc/98/31/20/1340983120.db2.gz GTHPPIHZKHCGNT-CALCHBBNSA-N 1 2 341.430 3.063 20 30 EGEDLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)CC=CC1 ZINC001029455120 1340993964 /nfs/dbraw/zinc/99/39/64/1340993964.db2.gz SRULVOANDITYBM-BGYRXZFFSA-N 1 2 334.463 3.070 20 30 EGEDLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)CC=CC1 ZINC001029455120 1340993965 /nfs/dbraw/zinc/99/39/65/1340993965.db2.gz SRULVOANDITYBM-BGYRXZFFSA-N 1 2 334.463 3.070 20 30 EGEDLO CCc1ccoc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001029458089 1340995002 /nfs/dbraw/zinc/99/50/02/1340995002.db2.gz AVLZFQHIQYSDJY-KDURUIRLSA-N 1 2 349.434 3.203 20 30 EGEDLO CCc1ccoc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001029458089 1340995003 /nfs/dbraw/zinc/99/50/03/1340995003.db2.gz AVLZFQHIQYSDJY-KDURUIRLSA-N 1 2 349.434 3.203 20 30 EGEDLO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N)C(C)(F)F ZINC001029477619 1340998076 /nfs/dbraw/zinc/99/80/76/1340998076.db2.gz KBBQGASERGBBGO-XYPHTWIQSA-N 1 2 347.409 3.025 20 30 EGEDLO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N)C(C)(F)F ZINC001029477619 1340998077 /nfs/dbraw/zinc/99/80/77/1340998077.db2.gz KBBQGASERGBBGO-XYPHTWIQSA-N 1 2 347.409 3.025 20 30 EGEDLO C=CCOc1ccc(C(=O)NC2C[NH+](Cc3cccc(C)c3)C2)cc1 ZINC001030541597 1341196119 /nfs/dbraw/zinc/19/61/19/1341196119.db2.gz TWKSVROHFNGJHZ-UHFFFAOYSA-N 1 2 336.435 3.174 20 30 EGEDLO C#Cc1ccc(C(=O)NC2C[NH+]([C@@H]3CCCc4ccc(F)cc43)C2)cc1 ZINC001030776706 1341224127 /nfs/dbraw/zinc/22/41/27/1341224127.db2.gz VQNWKQMAQLUQHN-OAQYLSRUSA-N 1 2 348.421 3.299 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+]([C@@H](CC)c2ccc(F)cc2)C1 ZINC001031088593 1341276543 /nfs/dbraw/zinc/27/65/43/1341276543.db2.gz DLBIOYBJOHMFPZ-FHWLQOOXSA-N 1 2 346.446 3.058 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2ccccc2CC)C1 ZINC001031932077 1341424415 /nfs/dbraw/zinc/42/44/15/1341424415.db2.gz SEPCMGCHUIQBPN-ZWKOTPCHSA-N 1 2 332.875 3.153 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001032044906 1341444984 /nfs/dbraw/zinc/44/49/84/1341444984.db2.gz FZECBMHVZFZERT-JKSUJKDBSA-N 1 2 339.266 3.244 20 30 EGEDLO CC(C)[C@H]1C[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001032084984 1341450686 /nfs/dbraw/zinc/45/06/86/1341450686.db2.gz QCUYLBXUCIHRPH-MOPGFXCFSA-N 1 2 344.886 3.032 20 30 EGEDLO Cc1cc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)sc1C ZINC001032173950 1341467999 /nfs/dbraw/zinc/46/79/99/1341467999.db2.gz ZSTFVDOBWVKMMP-UHFFFAOYSA-N 1 2 339.464 3.098 20 30 EGEDLO Cc1sccc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032395837 1341506801 /nfs/dbraw/zinc/50/68/01/1341506801.db2.gz VAALEICBDSNCQR-IRXDYDNUSA-N 1 2 337.448 3.027 20 30 EGEDLO Cc1sccc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032395837 1341506803 /nfs/dbraw/zinc/50/68/03/1341506803.db2.gz VAALEICBDSNCQR-IRXDYDNUSA-N 1 2 337.448 3.027 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1oc(C(C)C)nc1C ZINC001032606566 1341556439 /nfs/dbraw/zinc/55/64/39/1341556439.db2.gz WMOFWWPBCAKILO-FTRWYGJKSA-N 1 2 345.487 3.494 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1oc(C(C)C)nc1C ZINC001032606566 1341556440 /nfs/dbraw/zinc/55/64/40/1341556440.db2.gz WMOFWWPBCAKILO-FTRWYGJKSA-N 1 2 345.487 3.494 20 30 EGEDLO CN(C(=O)CC1CCCC1)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032877096 1341647084 /nfs/dbraw/zinc/64/70/84/1341647084.db2.gz ONSUMOVXEFRLSA-IBGZPJMESA-N 1 2 343.446 3.310 20 30 EGEDLO CN(C(=O)CC1CCCC1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032877096 1341647085 /nfs/dbraw/zinc/64/70/85/1341647085.db2.gz ONSUMOVXEFRLSA-IBGZPJMESA-N 1 2 343.446 3.310 20 30 EGEDLO CN(C(=O)c1ccc(Cl)o1)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001032914135 1341664384 /nfs/dbraw/zinc/66/43/84/1341664384.db2.gz XSOZSOYAYCHSFS-INIZCTEOSA-N 1 2 342.826 3.131 20 30 EGEDLO CN(C(=O)c1ccc(Cl)o1)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001032914135 1341664385 /nfs/dbraw/zinc/66/43/85/1341664385.db2.gz XSOZSOYAYCHSFS-INIZCTEOSA-N 1 2 342.826 3.131 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ocnc2-c2ccccc2)C1 ZINC001033135666 1341736975 /nfs/dbraw/zinc/73/69/75/1341736975.db2.gz IWKPTFGITHXRMW-OAHLLOKOSA-N 1 2 345.830 3.240 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ocnc2-c2ccccc2)C1 ZINC001033135666 1341736976 /nfs/dbraw/zinc/73/69/76/1341736976.db2.gz IWKPTFGITHXRMW-OAHLLOKOSA-N 1 2 345.830 3.240 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc3ncccc32)C1 ZINC001033311095 1341776830 /nfs/dbraw/zinc/77/68/30/1341776830.db2.gz DWHHCBIKRHLADZ-AWEZNQCLSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3ncccc32)C1 ZINC001033311095 1341776831 /nfs/dbraw/zinc/77/68/31/1341776831.db2.gz DWHHCBIKRHLADZ-AWEZNQCLSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)CC2CC(C)(C)C2)C1 ZINC001033354825 1341793971 /nfs/dbraw/zinc/79/39/71/1341793971.db2.gz FSGYHIJFWUPHGF-AWEZNQCLSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)CC2CC(C)(C)C2)C1 ZINC001033354825 1341793972 /nfs/dbraw/zinc/79/39/72/1341793972.db2.gz FSGYHIJFWUPHGF-AWEZNQCLSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@H]2CC[N@H+](Cc3nc(C)c(C)o3)C2)CC1 ZINC001033388891 1341808328 /nfs/dbraw/zinc/80/83/28/1341808328.db2.gz GJGCCGMCDCAWNZ-KRWDZBQOSA-N 1 2 331.460 3.071 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@H]2CC[N@@H+](Cc3nc(C)c(C)o3)C2)CC1 ZINC001033388891 1341808329 /nfs/dbraw/zinc/80/83/29/1341808329.db2.gz GJGCCGMCDCAWNZ-KRWDZBQOSA-N 1 2 331.460 3.071 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@H]2CC[N@H+](Cc3csc(C)n3)C2)CC1 ZINC001033396459 1341812434 /nfs/dbraw/zinc/81/24/34/1341812434.db2.gz NTXDIFDTLRIECW-KRWDZBQOSA-N 1 2 333.501 3.231 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@H]2CC[N@@H+](Cc3csc(C)n3)C2)CC1 ZINC001033396459 1341812435 /nfs/dbraw/zinc/81/24/35/1341812435.db2.gz NTXDIFDTLRIECW-KRWDZBQOSA-N 1 2 333.501 3.231 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(Cl)nc3)C2)C1 ZINC001033399214 1341813328 /nfs/dbraw/zinc/81/33/28/1341813328.db2.gz NKISKGZVAYNQNA-HNNXBMFYSA-N 1 2 333.863 3.124 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(Cl)nc3)C2)C1 ZINC001033399214 1341813330 /nfs/dbraw/zinc/81/33/30/1341813330.db2.gz NKISKGZVAYNQNA-HNNXBMFYSA-N 1 2 333.863 3.124 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001033433971 1341823409 /nfs/dbraw/zinc/82/34/09/1341823409.db2.gz SFWQNMQQHQCCNI-QLFBSQMISA-N 1 2 343.309 3.110 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001033433971 1341823410 /nfs/dbraw/zinc/82/34/10/1341823410.db2.gz SFWQNMQQHQCCNI-QLFBSQMISA-N 1 2 343.309 3.110 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(Cl)s2)C1 ZINC001033485394 1341843162 /nfs/dbraw/zinc/84/31/62/1341843162.db2.gz ZPXQBNGQLGCFPH-LLVKDONJSA-N 1 2 333.284 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(Cl)s2)C1 ZINC001033485394 1341843164 /nfs/dbraw/zinc/84/31/64/1341843164.db2.gz ZPXQBNGQLGCFPH-LLVKDONJSA-N 1 2 333.284 3.229 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3scnc3c2)C1 ZINC001033551739 1341868132 /nfs/dbraw/zinc/86/81/32/1341868132.db2.gz QPUOHJFDQFXGTG-CYBMUJFWSA-N 1 2 335.860 3.195 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3scnc3c2)C1 ZINC001033551739 1341868134 /nfs/dbraw/zinc/86/81/34/1341868134.db2.gz QPUOHJFDQFXGTG-CYBMUJFWSA-N 1 2 335.860 3.195 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C2CCCC2)C1 ZINC001033574049 1341879729 /nfs/dbraw/zinc/87/97/29/1341879729.db2.gz LGHJDRRDLPXLJI-ZFWWWQNUSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C2CCCC2)C1 ZINC001033574049 1341879730 /nfs/dbraw/zinc/87/97/30/1341879730.db2.gz LGHJDRRDLPXLJI-ZFWWWQNUSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2nsc3ccccc23)C1 ZINC001033686801 1341952377 /nfs/dbraw/zinc/95/23/77/1341952377.db2.gz XPLGEDIIGOOTFS-ZDUSSCGKSA-N 1 2 349.887 3.124 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2nsc3ccccc23)C1 ZINC001033686801 1341952379 /nfs/dbraw/zinc/95/23/79/1341952379.db2.gz XPLGEDIIGOOTFS-ZDUSSCGKSA-N 1 2 349.887 3.124 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)c2cccc(OC)c2)C1 ZINC001033687844 1341952439 /nfs/dbraw/zinc/95/24/39/1341952439.db2.gz FATWMJHLHIMEFF-GDBMZVCRSA-N 1 2 336.863 3.084 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)c2cccc(OC)c2)C1 ZINC001033687844 1341952443 /nfs/dbraw/zinc/95/24/43/1341952443.db2.gz FATWMJHLHIMEFF-GDBMZVCRSA-N 1 2 336.863 3.084 20 30 EGEDLO CCN(C(=O)C1CC1)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033720066 1341975798 /nfs/dbraw/zinc/97/57/98/1341975798.db2.gz XWLKDRPOMXBSAZ-QGZVFWFLSA-N 1 2 330.859 3.024 20 30 EGEDLO CCN(C(=O)C1CC1)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033720066 1341975800 /nfs/dbraw/zinc/97/58/00/1341975800.db2.gz XWLKDRPOMXBSAZ-QGZVFWFLSA-N 1 2 330.859 3.024 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(C(F)F)nc2)C1 ZINC001033847435 1342042400 /nfs/dbraw/zinc/04/24/00/1342042400.db2.gz IFFIDDQVDYTFKD-ZDUSSCGKSA-N 1 2 343.805 3.308 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C(F)F)nc2)C1 ZINC001033847435 1342042402 /nfs/dbraw/zinc/04/24/02/1342042402.db2.gz IFFIDDQVDYTFKD-ZDUSSCGKSA-N 1 2 343.805 3.308 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C)c(OC)c2)C1 ZINC001033888248 1342062275 /nfs/dbraw/zinc/06/22/75/1342062275.db2.gz AUUNAMVUBGICSG-MRXNPFEDSA-N 1 2 336.863 3.293 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C)c(OC)c2)C1 ZINC001033888248 1342062277 /nfs/dbraw/zinc/06/22/77/1342062277.db2.gz AUUNAMVUBGICSG-MRXNPFEDSA-N 1 2 336.863 3.293 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2occ3c2CCCC3)C1 ZINC001034028782 1342167025 /nfs/dbraw/zinc/16/70/25/1342167025.db2.gz JFXYKNDQCNDJHT-HNNXBMFYSA-N 1 2 336.863 3.447 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2occ3c2CCCC3)C1 ZINC001034028782 1342167028 /nfs/dbraw/zinc/16/70/28/1342167028.db2.gz JFXYKNDQCNDJHT-HNNXBMFYSA-N 1 2 336.863 3.447 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(N(C)C)cc2)C1 ZINC001034030654 1342169692 /nfs/dbraw/zinc/16/96/92/1342169692.db2.gz YMGMVQAGOBCWFP-KRWDZBQOSA-N 1 2 335.879 3.042 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(N(C)C)cc2)C1 ZINC001034030654 1342169694 /nfs/dbraw/zinc/16/96/94/1342169694.db2.gz YMGMVQAGOBCWFP-KRWDZBQOSA-N 1 2 335.879 3.042 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc3n(c2)CCCC3)C1 ZINC001034060526 1342199472 /nfs/dbraw/zinc/19/94/72/1342199472.db2.gz QWYOMXAVMJQJBW-KRWDZBQOSA-N 1 2 335.879 3.113 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc3n(c2)CCCC3)C1 ZINC001034060526 1342199474 /nfs/dbraw/zinc/19/94/74/1342199474.db2.gz QWYOMXAVMJQJBW-KRWDZBQOSA-N 1 2 335.879 3.113 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)CC2CCCC2)C1 ZINC001034088970 1342225762 /nfs/dbraw/zinc/22/57/62/1342225762.db2.gz DVPBUCZWCHKINE-HNNXBMFYSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)CC2CCCC2)C1 ZINC001034088970 1342225758 /nfs/dbraw/zinc/22/57/58/1342225758.db2.gz DVPBUCZWCHKINE-HNNXBMFYSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2sccc2COC)C1 ZINC001034485196 1342542512 /nfs/dbraw/zinc/54/25/12/1342542512.db2.gz PIFHSDOBPPYHDN-AWEZNQCLSA-N 1 2 342.892 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2sccc2COC)C1 ZINC001034485196 1342542516 /nfs/dbraw/zinc/54/25/16/1342542516.db2.gz PIFHSDOBPPYHDN-AWEZNQCLSA-N 1 2 342.892 3.231 20 30 EGEDLO O=C(C1CC1)N1CCC2(C[NH+](CC#Cc3ccccc3Cl)C2)CC1 ZINC001035631905 1343106930 /nfs/dbraw/zinc/10/69/30/1343106930.db2.gz IOIMKBSRACYGDE-UHFFFAOYSA-N 1 2 342.870 3.026 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H](C)c1ccc(C)o1)CC2 ZINC001035814715 1343212790 /nfs/dbraw/zinc/21/27/90/1343212790.db2.gz SIMMEQLSMLCQLM-OAHLLOKOSA-N 1 2 336.863 3.368 20 30 EGEDLO CC(C)(C)C(=O)N1CCC2(C[NH+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001035843046 1343225068 /nfs/dbraw/zinc/22/50/68/1343225068.db2.gz SGMYULMJVCSDRL-UHFFFAOYSA-N 1 2 343.446 3.168 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cc3ccccc3[nH]1)CC2 ZINC001035850011 1343229578 /nfs/dbraw/zinc/22/95/78/1343229578.db2.gz NMOANSOKVSJSDA-UHFFFAOYSA-N 1 2 343.858 3.458 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CC[C@H]2CNC(=O)C2=CCCCCC2)ccc1F ZINC001038193286 1344317838 /nfs/dbraw/zinc/31/78/38/1344317838.db2.gz IISGVAYIBQSGBF-SFHVURJKSA-N 1 2 341.430 3.278 20 30 EGEDLO N#Cc1cc(C[N@H+]2CC[C@H]2CNC(=O)C2=CCCCCC2)ccc1F ZINC001038193286 1344317842 /nfs/dbraw/zinc/31/78/42/1344317842.db2.gz IISGVAYIBQSGBF-SFHVURJKSA-N 1 2 341.430 3.278 20 30 EGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(Cl)c1 ZINC001038266881 1344348681 /nfs/dbraw/zinc/34/86/81/1344348681.db2.gz NXUUGCHOQNRUPK-KSZLIROESA-N 1 2 348.874 3.012 20 30 EGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(Cl)c1 ZINC001038266881 1344348693 /nfs/dbraw/zinc/34/86/93/1344348693.db2.gz NXUUGCHOQNRUPK-KSZLIROESA-N 1 2 348.874 3.012 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cscc2Cl)c1 ZINC001038381064 1344404184 /nfs/dbraw/zinc/40/41/84/1344404184.db2.gz SZPABBYXPNAUPI-CQSZACIVSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cscc2Cl)c1 ZINC001038381064 1344404186 /nfs/dbraw/zinc/40/41/86/1344404186.db2.gz SZPABBYXPNAUPI-CQSZACIVSA-N 1 2 345.855 3.277 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2[C@H](C)c2ccccc2F)cc1 ZINC001038580767 1344492026 /nfs/dbraw/zinc/49/20/26/1344492026.db2.gz CVIIMHNRKWMNGW-QAPCUYQASA-N 1 2 336.410 3.372 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2[C@H](C)c2ccccc2F)cc1 ZINC001038580767 1344492031 /nfs/dbraw/zinc/49/20/31/1344492031.db2.gz CVIIMHNRKWMNGW-QAPCUYQASA-N 1 2 336.410 3.372 20 30 EGEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1CCCC(F)(F)C1 ZINC001038688043 1344543081 /nfs/dbraw/zinc/54/30/81/1344543081.db2.gz KGERRDUDDGVUFD-ZWKOTPCHSA-N 1 2 346.421 3.054 20 30 EGEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1CCCC(F)(F)C1 ZINC001038688043 1344543082 /nfs/dbraw/zinc/54/30/82/1344543082.db2.gz KGERRDUDDGVUFD-ZWKOTPCHSA-N 1 2 346.421 3.054 20 30 EGEDLO CCCc1occc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038925183 1344655463 /nfs/dbraw/zinc/65/54/63/1344655463.db2.gz FOJOBOQWXQCYHB-KRWDZBQOSA-N 1 2 337.423 3.108 20 30 EGEDLO CCCc1occc1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038925183 1344655468 /nfs/dbraw/zinc/65/54/68/1344655468.db2.gz FOJOBOQWXQCYHB-KRWDZBQOSA-N 1 2 337.423 3.108 20 30 EGEDLO CC1(C)CCC(C(=O)NC[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)CC1 ZINC001039057933 1344741286 /nfs/dbraw/zinc/74/12/86/1344741286.db2.gz ZLYHXZVDHWROHN-FQEVSTJZSA-N 1 2 338.495 3.445 20 30 EGEDLO CC1(C)CCC(C(=O)NC[C@@H]2CC[N@H+]2CC#Cc2ccccc2)CC1 ZINC001039057933 1344741291 /nfs/dbraw/zinc/74/12/91/1344741291.db2.gz ZLYHXZVDHWROHN-FQEVSTJZSA-N 1 2 338.495 3.445 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(F)CCCCC1 ZINC001039457663 1345077642 /nfs/dbraw/zinc/07/76/42/1345077642.db2.gz FPOZZTFITRPSCS-CABCVRRESA-N 1 2 328.859 3.477 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(F)CCCCC1 ZINC001039457663 1345077643 /nfs/dbraw/zinc/07/76/43/1345077643.db2.gz FPOZZTFITRPSCS-CABCVRRESA-N 1 2 328.859 3.477 20 30 EGEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@H](C)c1ccc(F)cc1 ZINC001039528339 1345131329 /nfs/dbraw/zinc/13/13/29/1345131329.db2.gz MRJWPMFROUHKBG-DTDBQYNISA-N 1 2 329.419 3.112 20 30 EGEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@H](C)c1ccc(F)cc1 ZINC001039528339 1345131333 /nfs/dbraw/zinc/13/13/33/1345131333.db2.gz MRJWPMFROUHKBG-DTDBQYNISA-N 1 2 329.419 3.112 20 30 EGEDLO C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3C[C@@H](F)CC)cc1 ZINC001039817025 1345198369 /nfs/dbraw/zinc/19/83/69/1345198369.db2.gz GLRTYIDZCBMRTM-GBESFXJTSA-N 1 2 328.431 3.095 20 30 EGEDLO C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3C[C@@H](F)CC)cc1 ZINC001039817025 1345198374 /nfs/dbraw/zinc/19/83/74/1345198374.db2.gz GLRTYIDZCBMRTM-GBESFXJTSA-N 1 2 328.431 3.095 20 30 EGEDLO Cc1coc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cccc(C#N)c2)c1 ZINC001039857125 1345214253 /nfs/dbraw/zinc/21/42/53/1345214253.db2.gz JPOHZPAXJRQTSZ-KDURUIRLSA-N 1 2 349.434 3.339 20 30 EGEDLO Cc1coc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cccc(C#N)c2)c1 ZINC001039857125 1345214254 /nfs/dbraw/zinc/21/42/54/1345214254.db2.gz JPOHZPAXJRQTSZ-KDURUIRLSA-N 1 2 349.434 3.339 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](C)[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001039889594 1345231986 /nfs/dbraw/zinc/23/19/86/1345231986.db2.gz DXAJOLQZMBGGHG-HOCLYGCPSA-N 1 2 330.476 3.284 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@@H](C)[C@@H](CNc3cc[nH+]c(C)n3)C2)CC1 ZINC001039890826 1345233858 /nfs/dbraw/zinc/23/38/58/1345233858.db2.gz OVLCLNIHVJWLBZ-QAPCUYQASA-N 1 2 342.487 3.428 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2oc(C)nc2C)C1 ZINC001039905964 1345243224 /nfs/dbraw/zinc/24/32/24/1345243224.db2.gz CMGBXAKBPMSLPD-CALCHBBNSA-N 1 2 343.471 3.213 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2oc(C)nc2C)C1 ZINC001039905964 1345243228 /nfs/dbraw/zinc/24/32/28/1345243228.db2.gz CMGBXAKBPMSLPD-CALCHBBNSA-N 1 2 343.471 3.213 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](CNc2cc[nH+]c(C)n2)[C@H](C)C1 ZINC001040440404 1345501369 /nfs/dbraw/zinc/50/13/69/1345501369.db2.gz VKBWBKSTJHRNRH-GDBMZVCRSA-N 1 2 330.476 3.284 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@@H](CNc3cc[nH+]c(C)n3)[C@@H](C)C2)C1 ZINC001040449142 1345506329 /nfs/dbraw/zinc/50/63/29/1345506329.db2.gz WDWCHLSTAZRYAY-HOCLYGCPSA-N 1 2 328.460 3.038 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1ccc(Cl)o1 ZINC001079428021 1357260019 /nfs/dbraw/zinc/26/00/19/1357260019.db2.gz JXXJPQKIYLNTEV-IUODEOHRSA-N 1 2 343.814 3.055 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1ccc(Cl)o1 ZINC001079428021 1357260024 /nfs/dbraw/zinc/26/00/24/1357260024.db2.gz JXXJPQKIYLNTEV-IUODEOHRSA-N 1 2 343.814 3.055 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc4ncccc4o3)C[C@H]21 ZINC001042155569 1345958130 /nfs/dbraw/zinc/95/81/30/1345958130.db2.gz LDYOCVNOGKMWHY-DZGCQCFKSA-N 1 2 345.830 3.117 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3cc4ncccc4o3)C[C@H]21 ZINC001042155569 1345958131 /nfs/dbraw/zinc/95/81/31/1345958131.db2.gz LDYOCVNOGKMWHY-DZGCQCFKSA-N 1 2 345.830 3.117 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4ncc(CC)o4)[C@@H]3C2)C1 ZINC001042227378 1345995957 /nfs/dbraw/zinc/99/59/57/1345995957.db2.gz JLYYMDPKZLSHFV-DOTOQJQBSA-N 1 2 343.471 3.016 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@H+](Cc4ncc(CC)o4)[C@@H]3C2)C1 ZINC001042227378 1345995959 /nfs/dbraw/zinc/99/59/59/1345995959.db2.gz JLYYMDPKZLSHFV-DOTOQJQBSA-N 1 2 343.471 3.016 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccon1 ZINC001045787479 1346697969 /nfs/dbraw/zinc/69/79/69/1346697969.db2.gz QFBOMGSJCNWNDW-CABCVRRESA-N 1 2 337.851 3.019 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccon1 ZINC001045787479 1346697972 /nfs/dbraw/zinc/69/79/72/1346697972.db2.gz QFBOMGSJCNWNDW-CABCVRRESA-N 1 2 337.851 3.019 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2coc(C)n2)CC1 ZINC001045839905 1346715800 /nfs/dbraw/zinc/71/58/00/1346715800.db2.gz FVBFZGHTKBIHAZ-MOPGFXCFSA-N 1 2 343.471 3.295 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2coc(C)n2)CC1 ZINC001045839905 1346715803 /nfs/dbraw/zinc/71/58/03/1346715803.db2.gz FVBFZGHTKBIHAZ-MOPGFXCFSA-N 1 2 343.471 3.295 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1CC=C(Cl)Cl ZINC001132038139 1375111576 /nfs/dbraw/zinc/11/15/76/1375111576.db2.gz OZGUYLLVJAYWOL-CHWSQXEVSA-N 1 2 331.287 3.324 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@H+]1CC=C(Cl)Cl ZINC001132038139 1375111581 /nfs/dbraw/zinc/11/15/81/1375111581.db2.gz OZGUYLLVJAYWOL-CHWSQXEVSA-N 1 2 331.287 3.324 20 30 EGEDLO C[C@]1(NC(=O)c2cccs2)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046116425 1346854296 /nfs/dbraw/zinc/85/42/96/1346854296.db2.gz XDOCCCFZIVLHPM-SFHVURJKSA-N 1 2 343.427 3.153 20 30 EGEDLO C[C@]1(NC(=O)c2cccs2)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046116425 1346854299 /nfs/dbraw/zinc/85/42/99/1346854299.db2.gz XDOCCCFZIVLHPM-SFHVURJKSA-N 1 2 343.427 3.153 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001046225741 1346898870 /nfs/dbraw/zinc/89/88/70/1346898870.db2.gz DSUUPFMMIQHPAS-INIZCTEOSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001046225741 1346898872 /nfs/dbraw/zinc/89/88/72/1346898872.db2.gz DSUUPFMMIQHPAS-INIZCTEOSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2COc3cc(C)c(C)cc32)C1 ZINC001046514066 1347000335 /nfs/dbraw/zinc/00/03/35/1347000335.db2.gz BTTNIOZOFDNRRR-APWZRJJASA-N 1 2 348.874 3.113 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2COc3cc(C)c(C)cc32)C1 ZINC001046514066 1347000338 /nfs/dbraw/zinc/00/03/38/1347000338.db2.gz BTTNIOZOFDNRRR-APWZRJJASA-N 1 2 348.874 3.113 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC001046523271 1347003465 /nfs/dbraw/zinc/00/34/65/1347003465.db2.gz BXAATAYBCAUQEQ-AWEZNQCLSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC001046523271 1347003467 /nfs/dbraw/zinc/00/34/67/1347003467.db2.gz BXAATAYBCAUQEQ-AWEZNQCLSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)C2CCC(F)CC2)C1 ZINC001046597683 1347032310 /nfs/dbraw/zinc/03/23/10/1347032310.db2.gz KRHKIWXRQCSQEZ-SSDMNJCBSA-N 1 2 347.272 3.004 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)C2CCC(F)CC2)C1 ZINC001046597683 1347032307 /nfs/dbraw/zinc/03/23/07/1347032307.db2.gz KRHKIWXRQCSQEZ-SSDMNJCBSA-N 1 2 347.272 3.004 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001046635633 1347044292 /nfs/dbraw/zinc/04/42/92/1347044292.db2.gz YSDGISUREHKGON-FMKPAKJESA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001046635633 1347044294 /nfs/dbraw/zinc/04/42/94/1347044294.db2.gz YSDGISUREHKGON-FMKPAKJESA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cccc(N3CC=CC3)c2)C1 ZINC001046661978 1347054975 /nfs/dbraw/zinc/05/49/75/1347054975.db2.gz NMCJINDMQHGUOI-LJQANCHMSA-N 1 2 345.874 3.010 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(N3CC=CC3)c2)C1 ZINC001046661978 1347054976 /nfs/dbraw/zinc/05/49/76/1347054976.db2.gz NMCJINDMQHGUOI-LJQANCHMSA-N 1 2 345.874 3.010 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cncc(C(F)(F)F)c2)C1 ZINC001046749145 1347082260 /nfs/dbraw/zinc/08/22/60/1347082260.db2.gz GRVKMBQVTJEIAX-CQSZACIVSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cncc(C(F)(F)F)c2)C1 ZINC001046749145 1347082262 /nfs/dbraw/zinc/08/22/62/1347082262.db2.gz GRVKMBQVTJEIAX-CQSZACIVSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cncc(C(F)(F)F)c2)C1 ZINC001046749144 1347082413 /nfs/dbraw/zinc/08/24/13/1347082413.db2.gz GRVKMBQVTJEIAX-AWEZNQCLSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cncc(C(F)(F)F)c2)C1 ZINC001046749144 1347082417 /nfs/dbraw/zinc/08/24/17/1347082417.db2.gz GRVKMBQVTJEIAX-AWEZNQCLSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001046811524 1347113371 /nfs/dbraw/zinc/11/33/71/1347113371.db2.gz QKOWSAVUOVGUMU-NVXWUHKLSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001046811524 1347113374 /nfs/dbraw/zinc/11/33/74/1347113374.db2.gz QKOWSAVUOVGUMU-NVXWUHKLSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2csc(CC(C)C)n2)C1 ZINC001046875632 1347141727 /nfs/dbraw/zinc/14/17/27/1347141727.db2.gz CEKACMBDUHRHDM-MRXNPFEDSA-N 1 2 341.908 3.288 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2csc(CC(C)C)n2)C1 ZINC001046875632 1347141730 /nfs/dbraw/zinc/14/17/30/1347141730.db2.gz CEKACMBDUHRHDM-MRXNPFEDSA-N 1 2 341.908 3.288 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1occ2c1CCC2 ZINC001049617723 1347937042 /nfs/dbraw/zinc/93/70/42/1347937042.db2.gz KXEOZOPHSNFPOA-HOTGVXAUSA-N 1 2 334.847 3.200 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1occ2c1CCC2 ZINC001049617723 1347937044 /nfs/dbraw/zinc/93/70/44/1347937044.db2.gz KXEOZOPHSNFPOA-HOTGVXAUSA-N 1 2 334.847 3.200 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C(C)C)on1 ZINC001049622392 1347939673 /nfs/dbraw/zinc/93/96/73/1347939673.db2.gz ULIPJSBBYINXEV-GJZGRUSLSA-N 1 2 337.851 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C(C)C)on1 ZINC001049622392 1347939675 /nfs/dbraw/zinc/93/96/75/1347939675.db2.gz ULIPJSBBYINXEV-GJZGRUSLSA-N 1 2 337.851 3.229 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1coc(C2CC2)n1 ZINC001049646032 1347952474 /nfs/dbraw/zinc/95/24/74/1347952474.db2.gz ORVXUFDEWWHPBS-IRXDYDNUSA-N 1 2 343.471 3.330 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1coc(C2CC2)n1 ZINC001049646032 1347952478 /nfs/dbraw/zinc/95/24/78/1347952478.db2.gz ORVXUFDEWWHPBS-IRXDYDNUSA-N 1 2 343.471 3.330 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1nnc(C)s1 ZINC001049692635 1347974762 /nfs/dbraw/zinc/97/47/62/1347974762.db2.gz IBSPBKQFXBKRDK-RLFYNMQTSA-N 1 2 348.516 3.014 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1nnc(C)s1 ZINC001049692635 1347974763 /nfs/dbraw/zinc/97/47/63/1347974763.db2.gz IBSPBKQFXBKRDK-RLFYNMQTSA-N 1 2 348.516 3.014 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1occc1Cl ZINC001049709391 1347985518 /nfs/dbraw/zinc/98/55/18/1347985518.db2.gz ILSGXYRNXQTPPJ-STQMWFEESA-N 1 2 329.227 3.364 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1occc1Cl ZINC001049709391 1347985520 /nfs/dbraw/zinc/98/55/20/1347985520.db2.gz ILSGXYRNXQTPPJ-STQMWFEESA-N 1 2 329.227 3.364 20 30 EGEDLO Cc1cc(N[C@@H]2CCCCCN(C(=O)[C@H](C)C#N)C2)nc(C(C)C)[nH+]1 ZINC001049857705 1348064883 /nfs/dbraw/zinc/06/48/83/1348064883.db2.gz JVNAJDBQGKVXML-GDBMZVCRSA-N 1 2 343.475 3.251 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1scnc1Cl ZINC001049902579 1348102228 /nfs/dbraw/zinc/10/22/28/1348102228.db2.gz UHBIKDFPRXYBMP-MNOVXSKESA-N 1 2 346.283 3.228 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1scnc1Cl ZINC001049902579 1348102229 /nfs/dbraw/zinc/10/22/29/1348102229.db2.gz UHBIKDFPRXYBMP-MNOVXSKESA-N 1 2 346.283 3.228 20 30 EGEDLO C#Cc1ccc(C(=O)N2CCCCC[C@H](Nc3cc[nH+]c(C)n3)C2)cc1 ZINC001049957184 1348131763 /nfs/dbraw/zinc/13/17/63/1348131763.db2.gz WLUYXWROMJFRSE-IBGZPJMESA-N 1 2 348.450 3.263 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1CC(C)(C)C ZINC001050973020 1348378682 /nfs/dbraw/zinc/37/86/82/1348378682.db2.gz CPEHHDBYCSKKCS-SFHVURJKSA-N 1 2 344.499 3.282 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1CC(C)(C)C ZINC001050973020 1348378685 /nfs/dbraw/zinc/37/86/85/1348378685.db2.gz CPEHHDBYCSKKCS-SFHVURJKSA-N 1 2 344.499 3.282 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Cl)c2occc21 ZINC001051204295 1348402487 /nfs/dbraw/zinc/40/24/87/1348402487.db2.gz NATKOOSIKTZVSF-ZDUSSCGKSA-N 1 2 348.830 3.093 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Cl)c2occc21 ZINC001051204295 1348402488 /nfs/dbraw/zinc/40/24/88/1348402488.db2.gz NATKOOSIKTZVSF-ZDUSSCGKSA-N 1 2 348.830 3.093 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)c3cccnc3)cccc2C1 ZINC001051276477 1348414133 /nfs/dbraw/zinc/41/41/33/1348414133.db2.gz HZKUBASOWKXEDD-UHFFFAOYSA-N 1 2 341.842 3.122 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)c3cccnc3)cccc2C1 ZINC001051276477 1348414136 /nfs/dbraw/zinc/41/41/36/1348414136.db2.gz HZKUBASOWKXEDD-UHFFFAOYSA-N 1 2 341.842 3.122 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)c3ccoc3)cccc2C1 ZINC001051279144 1348415603 /nfs/dbraw/zinc/41/56/03/1348415603.db2.gz VCVDLPXQTCKXKO-UHFFFAOYSA-N 1 2 330.815 3.320 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)c3ccoc3)cccc2C1 ZINC001051279144 1348415605 /nfs/dbraw/zinc/41/56/05/1348415605.db2.gz VCVDLPXQTCKXKO-UHFFFAOYSA-N 1 2 330.815 3.320 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)[C@H]3CC34CC4)cccc2C1 ZINC001051302897 1348426175 /nfs/dbraw/zinc/42/61/75/1348426175.db2.gz RJZMJPOGHMSTNG-QGZVFWFLSA-N 1 2 330.859 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)[C@H]3CC34CC4)cccc2C1 ZINC001051302897 1348426177 /nfs/dbraw/zinc/42/61/77/1348426177.db2.gz RJZMJPOGHMSTNG-QGZVFWFLSA-N 1 2 330.859 3.214 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](Cc3nnc(C)s3)CC2)CC1 ZINC001052682470 1348629706 /nfs/dbraw/zinc/62/97/06/1348629706.db2.gz UUFPMMRGWHMOEY-MRXNPFEDSA-N 1 2 348.516 3.064 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](Cc3nnc(C)s3)CC2)CC1 ZINC001052682470 1348629710 /nfs/dbraw/zinc/62/97/10/1348629710.db2.gz UUFPMMRGWHMOEY-MRXNPFEDSA-N 1 2 348.516 3.064 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc(CCCC)cc1)CCO2 ZINC001053333801 1349005032 /nfs/dbraw/zinc/00/50/32/1349005032.db2.gz VTFAIORTMWHLFX-UHFFFAOYSA-N 1 2 342.483 3.132 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[C@H](C3CCC3)CC1)CO2 ZINC001053834762 1349113929 /nfs/dbraw/zinc/11/39/29/1349113929.db2.gz VQMHOPNLJUPIFB-GUDVDZBRSA-N 1 2 346.515 3.129 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc(CC(C)C)c[nH]3)cc2C1 ZINC001054290631 1349295320 /nfs/dbraw/zinc/29/53/20/1349295320.db2.gz RSMGTSKAVSPIMH-UHFFFAOYSA-N 1 2 335.451 3.092 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc(CC(C)C)c[nH]3)cc2C1 ZINC001054290631 1349295323 /nfs/dbraw/zinc/29/53/23/1349295323.db2.gz RSMGTSKAVSPIMH-UHFFFAOYSA-N 1 2 335.451 3.092 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H](N(C)c3nc(C)[nH+]c(C)c3C)C2)CC1 ZINC001057014976 1349975256 /nfs/dbraw/zinc/97/52/56/1349975256.db2.gz YSVXSTCKUXKZDV-SFHVURJKSA-N 1 2 342.487 3.185 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@H](N(C)c3cc(C)[nH+]c(C4CC4)n3)C2)C1 ZINC001057024184 1349977365 /nfs/dbraw/zinc/97/73/65/1349977365.db2.gz RVICVYZHHNHHQR-INIZCTEOSA-N 1 2 340.471 3.056 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC23CCN(c2cc[nH+]c(C)n2)CC3)CC1 ZINC001058647204 1350275681 /nfs/dbraw/zinc/27/56/81/1350275681.db2.gz MDQUEKMCKINQNN-KRWDZBQOSA-N 1 2 340.471 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C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1ccc(F)s1 ZINC001081031248 1357787016 /nfs/dbraw/zinc/78/70/16/1357787016.db2.gz XWLYBEXYAWOZCB-ZWNOBZJWSA-N 1 2 349.456 3.071 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1ccc(F)s1 ZINC001081031248 1357787018 /nfs/dbraw/zinc/78/70/18/1357787018.db2.gz XWLYBEXYAWOZCB-ZWNOBZJWSA-N 1 2 349.456 3.071 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2nc(C3CC3)no2)C1 ZINC001082682216 1358071137 /nfs/dbraw/zinc/07/11/37/1358071137.db2.gz DTHQCKQKTIDCSA-VNHYZAJKSA-N 1 2 346.475 3.047 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ncoc3C(C)C)C[C@H]21 ZINC001084578376 1358242066 /nfs/dbraw/zinc/24/20/66/1358242066.db2.gz WACJUOIBRHIYEO-GDBMZVCRSA-N 1 2 331.460 3.043 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3ncoc3C(C)C)C[C@H]21 ZINC001084578376 1358242069 /nfs/dbraw/zinc/24/20/69/1358242069.db2.gz WACJUOIBRHIYEO-GDBMZVCRSA-N 1 2 331.460 3.043 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(C(C)C)c3C)[C@@H]2C1 ZINC001084598030 1358252710 /nfs/dbraw/zinc/25/27/10/1358252710.db2.gz HJNFTWQEFGPQFB-NVXWUHKLSA-N 1 2 335.879 3.276 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(C(C)C)c3C)[C@@H]2C1 ZINC001084598030 1358252714 /nfs/dbraw/zinc/25/27/14/1358252714.db2.gz HJNFTWQEFGPQFB-NVXWUHKLSA-N 1 2 335.879 3.276 20 30 EGEDLO CCC(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084623074 1358258658 /nfs/dbraw/zinc/25/86/58/1358258658.db2.gz WFSWTEIYKMBFDC-CRAIPNDOSA-N 1 2 343.446 3.166 20 30 EGEDLO CCC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084623074 1358258661 /nfs/dbraw/zinc/25/86/61/1358258661.db2.gz WFSWTEIYKMBFDC-CRAIPNDOSA-N 1 2 343.446 3.166 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](Cc3ccnc(Cl)c3)C[C@H]21 ZINC001084630783 1358261086 /nfs/dbraw/zinc/26/10/86/1358261086.db2.gz UZIHYBZBWGQQOE-GPMSIDNRSA-N 1 2 347.890 3.370 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccnc(Cl)c3)C[C@H]21 ZINC001084630783 1358261089 /nfs/dbraw/zinc/26/10/89/1358261089.db2.gz UZIHYBZBWGQQOE-GPMSIDNRSA-N 1 2 347.890 3.370 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4ccccc4C3)[C@@H]2C1 ZINC001084686255 1358279978 /nfs/dbraw/zinc/27/99/78/1358279978.db2.gz UUSAEPPRATZCPB-GUDVDZBRSA-N 1 2 344.886 3.077 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4ccccc4C3)[C@@H]2C1 ZINC001084686255 1358279979 /nfs/dbraw/zinc/27/99/79/1358279979.db2.gz UUSAEPPRATZCPB-GUDVDZBRSA-N 1 2 344.886 3.077 20 30 EGEDLO CC(C)[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084698026 1358284957 /nfs/dbraw/zinc/28/49/57/1358284957.db2.gz HAKYNLKWSSTSRR-ZSZQSSIHSA-N 1 2 343.446 3.022 20 30 EGEDLO CC(C)[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084698026 1358284960 /nfs/dbraw/zinc/28/49/60/1358284960.db2.gz HAKYNLKWSSTSRR-ZSZQSSIHSA-N 1 2 343.446 3.022 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3cccnc3)C(C)C)[C@@H]2C1 ZINC001084740399 1358297508 /nfs/dbraw/zinc/29/75/08/1358297508.db2.gz INSKPYXXOHUGNR-KZNAEPCWSA-N 1 2 347.890 3.106 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3cccnc3)C(C)C)[C@@H]2C1 ZINC001084740399 1358297510 /nfs/dbraw/zinc/29/75/10/1358297510.db2.gz INSKPYXXOHUGNR-KZNAEPCWSA-N 1 2 347.890 3.106 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](C/C(Cl)=C/Cl)[C@H]2C1 ZINC001085006204 1358363682 /nfs/dbraw/zinc/36/36/82/1358363682.db2.gz DQJBIVOMVHGCDM-HSWBZUAGSA-N 1 2 331.287 3.440 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](C/C(Cl)=C/Cl)[C@H]2C1 ZINC001085006204 1358363686 /nfs/dbraw/zinc/36/36/86/1358363686.db2.gz DQJBIVOMVHGCDM-HSWBZUAGSA-N 1 2 331.287 3.440 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)c1ccccc1F ZINC001085456065 1358508293 /nfs/dbraw/zinc/50/82/93/1358508293.db2.gz ALYPDUJKNSXMHO-GOSISDBHSA-N 1 2 336.410 3.024 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)c1ccccc1F ZINC001085456065 1358508295 /nfs/dbraw/zinc/50/82/95/1358508295.db2.gz ALYPDUJKNSXMHO-GOSISDBHSA-N 1 2 336.410 3.024 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)c1ccc(F)cc1 ZINC001085456697 1358509287 /nfs/dbraw/zinc/50/92/87/1358509287.db2.gz QHTCSDGAYVBISD-HNNXBMFYSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)c1ccc(F)cc1 ZINC001085456697 1358509292 /nfs/dbraw/zinc/50/92/92/1358509292.db2.gz QHTCSDGAYVBISD-HNNXBMFYSA-N 1 2 343.427 3.105 20 30 EGEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1sc2ccccc2c1C ZINC001085709411 1358701764 /nfs/dbraw/zinc/70/17/64/1358701764.db2.gz HBKFZHHKEHBZKU-HNNXBMFYSA-N 1 2 326.465 3.379 20 30 EGEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1sc2ccccc2c1C ZINC001085709411 1358701767 /nfs/dbraw/zinc/70/17/67/1358701767.db2.gz HBKFZHHKEHBZKU-HNNXBMFYSA-N 1 2 326.465 3.379 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2=COCCC2)C1 ZINC001086577486 1359153495 /nfs/dbraw/zinc/15/34/95/1359153495.db2.gz NRZUDGHPHMBLAP-ZWKOTPCHSA-N 1 2 346.858 3.017 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2=COCCC2)C1 ZINC001086577486 1359153496 /nfs/dbraw/zinc/15/34/96/1359153496.db2.gz NRZUDGHPHMBLAP-ZWKOTPCHSA-N 1 2 346.858 3.017 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001086611747 1359163680 /nfs/dbraw/zinc/16/36/80/1359163680.db2.gz KQVXRDQIKCJFMK-GVDBMIGSSA-N 1 2 330.859 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001086611747 1359163684 /nfs/dbraw/zinc/16/36/84/1359163684.db2.gz KQVXRDQIKCJFMK-GVDBMIGSSA-N 1 2 330.859 3.123 20 30 EGEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccsc2)C1 ZINC001087451264 1359471885 /nfs/dbraw/zinc/47/18/85/1359471885.db2.gz KRNFSYJLEUJZBR-QZTJIDSGSA-N 1 2 342.439 3.108 20 30 EGEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccsc2)C1 ZINC001087451264 1359471886 /nfs/dbraw/zinc/47/18/86/1359471886.db2.gz KRNFSYJLEUJZBR-QZTJIDSGSA-N 1 2 342.439 3.108 20 30 EGEDLO C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=C)Cl)[C@@H]2C)cc1 ZINC001088671436 1360010386 /nfs/dbraw/zinc/01/03/86/1360010386.db2.gz HPQRDVXYMMUUQX-PBHICJAKSA-N 1 2 334.847 3.197 20 30 EGEDLO C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=C)Cl)[C@@H]2C)cc1 ZINC001088671436 1360010390 /nfs/dbraw/zinc/01/03/90/1360010390.db2.gz HPQRDVXYMMUUQX-PBHICJAKSA-N 1 2 334.847 3.197 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(Cl)cccc2OC)[C@H]1C ZINC001089060109 1360152270 /nfs/dbraw/zinc/15/22/70/1360152270.db2.gz UHZSQXUJTBZYEK-YPMHNXCESA-N 1 2 343.254 3.294 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(Cl)cccc2OC)[C@H]1C ZINC001089060109 1360152272 /nfs/dbraw/zinc/15/22/72/1360152272.db2.gz UHZSQXUJTBZYEK-YPMHNXCESA-N 1 2 343.254 3.294 20 30 EGEDLO CCCC(=O)N1CCCC[C@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC001089103692 1360168660 /nfs/dbraw/zinc/16/86/60/1360168660.db2.gz YVQWHTCWGXCVCY-SFHVURJKSA-N 1 2 331.435 3.310 20 30 EGEDLO CCCC(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001089103692 1360168663 /nfs/dbraw/zinc/16/86/63/1360168663.db2.gz YVQWHTCWGXCVCY-SFHVURJKSA-N 1 2 331.435 3.310 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089147787 1360203739 /nfs/dbraw/zinc/20/37/39/1360203739.db2.gz UXFPRKUWGMDBQH-GUYCJALGSA-N 1 2 344.503 3.478 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089151470 1360207184 /nfs/dbraw/zinc/20/71/84/1360207184.db2.gz ZIZNVTVWAYLFEE-DYVFJYSZSA-N 1 2 330.476 3.232 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@H](C)[C@@H](CNc3cc[nH+]c(C)n3)C2)CC1 ZINC001089184359 1360234672 /nfs/dbraw/zinc/23/46/72/1360234672.db2.gz ABUYKILPZYLIPW-RDJZCZTQSA-N 1 2 342.487 3.428 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H](C)[C@@H](CNc3cc[nH+]c(C)n3)C2)CCC1 ZINC001089188678 1360238329 /nfs/dbraw/zinc/23/83/29/1360238329.db2.gz XXNRTBYFGQRGIF-WBVHZDCISA-N 1 2 342.487 3.428 20 30 EGEDLO CC[C@@H](F)C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC001089209189 1360254920 /nfs/dbraw/zinc/25/49/20/1360254920.db2.gz IUPSMEPFNRDAEM-ZWKOTPCHSA-N 1 2 349.425 3.258 20 30 EGEDLO CC[C@@H](F)C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001089209189 1360254923 /nfs/dbraw/zinc/25/49/23/1360254923.db2.gz IUPSMEPFNRDAEM-ZWKOTPCHSA-N 1 2 349.425 3.258 20 30 EGEDLO Cc1cc(N[C@@H](C)C[C@H](C)NC(=O)C#CC(C)C)nc(C2CC2)[nH+]1 ZINC001089308577 1360327866 /nfs/dbraw/zinc/32/78/66/1360327866.db2.gz INEOENQVNTYCLG-KBPBESRZSA-N 1 2 328.460 3.017 20 30 EGEDLO Cc1cc(N[C@@H](C)C[C@@H](C)NC(=O)C#CC(C)(C)C)nc(C2CC2)[nH+]1 ZINC001089312462 1360331500 /nfs/dbraw/zinc/33/15/00/1360331500.db2.gz KCICBQAQJBMBCX-UONOGXRCSA-N 1 2 342.487 3.407 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001089855497 1360701025 /nfs/dbraw/zinc/70/10/25/1360701025.db2.gz MXHGYWNAQCOHSV-UHFFFAOYSA-N 1 2 342.487 3.257 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1C[C@@H](C)[C@](C)(CNc2cc[nH+]c(C)n2)C1 ZINC001090258539 1360876141 /nfs/dbraw/zinc/87/61/41/1360876141.db2.gz UINJVZQQSFQBIO-IDHHARJASA-N 1 2 330.476 3.284 20 30 EGEDLO C=CCCC(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C12CCC2 ZINC001090598228 1360904610 /nfs/dbraw/zinc/90/46/10/1360904610.db2.gz FSGOSBJOZWGNTG-HOTGVXAUSA-N 1 2 340.471 3.468 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C12CCC2 ZINC001090598230 1360904783 /nfs/dbraw/zinc/90/47/83/1360904783.db2.gz FSGOSBJOZWGNTG-JKSUJKDBSA-N 1 2 340.471 3.468 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001091484394 1361116621 /nfs/dbraw/zinc/11/66/21/1361116621.db2.gz FPLHBDUEZKPRFS-KOMQPUFPSA-N 1 2 328.460 3.325 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N(C)CCCCCCNc1cc[nH+]c(C)n1 ZINC001091734684 1361199003 /nfs/dbraw/zinc/19/90/03/1361199003.db2.gz RLHJHGMFTYHKHT-MRXNPFEDSA-N 1 2 348.491 3.197 20 30 EGEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1ccc(Br)nc1 ZINC001323992018 1387505494 /nfs/dbraw/zinc/50/54/94/1387505494.db2.gz VTADMISBZLOGCR-FNORWQNLSA-N 1 2 332.201 3.201 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001092433045 1361381090 /nfs/dbraw/zinc/38/10/90/1361381090.db2.gz XVSDGBAIFUHVIU-HBUWYVDXSA-N 1 2 344.503 3.193 20 30 EGEDLO 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ZINC001095150851 1362033120 /nfs/dbraw/zinc/03/31/20/1362033120.db2.gz XDTMVVGBOJLHKU-SQNIBIBYSA-N 1 2 337.448 3.155 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccsc1)C2 ZINC001095150851 1362033123 /nfs/dbraw/zinc/03/31/23/1362033123.db2.gz XDTMVVGBOJLHKU-SQNIBIBYSA-N 1 2 337.448 3.155 20 30 EGEDLO C#CCCCCCC(=O)N1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095203574 1362051872 /nfs/dbraw/zinc/05/18/72/1362051872.db2.gz JMGLZUKNAYOKOF-UHFFFAOYSA-N 1 2 342.487 3.024 20 30 EGEDLO C=CC(C)(C)CC(=O)NC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095431738 1362139163 /nfs/dbraw/zinc/13/91/63/1362139163.db2.gz VYUVJCYMOUQSAF-UHFFFAOYSA-N 1 2 330.476 3.089 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095440680 1362141972 /nfs/dbraw/zinc/14/19/72/1362141972.db2.gz SVDOPUVMFGFDDH-OAHLLOKOSA-N 1 2 342.487 3.350 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC13CC3)C2 ZINC001095613523 1362186032 /nfs/dbraw/zinc/18/60/32/1362186032.db2.gz 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C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3ccccc3C1)C2 ZINC001096068723 1362364826 /nfs/dbraw/zinc/36/48/26/1362364826.db2.gz WOCWPDIBEHNDND-YRXWBPOGSA-N 1 2 344.886 3.266 20 30 EGEDLO Cc1cc(N2CCC[C@H](NC(=O)C#CC(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC001096179256 1362417547 /nfs/dbraw/zinc/41/75/47/1362417547.db2.gz RWDIQQNXKMJWMR-INIZCTEOSA-N 1 2 342.487 3.043 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096224256 1362441315 /nfs/dbraw/zinc/44/13/15/1362441315.db2.gz ZIBLSVRXIKBBFT-KRWDZBQOSA-N 1 2 342.487 3.187 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(c3ccccc3)CC1)C2 ZINC001096487057 1362532246 /nfs/dbraw/zinc/53/22/46/1362532246.db2.gz XAZZVKHVRFJLMX-IKGGRYGDSA-N 1 2 330.859 3.192 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(c3ccccc3)CC1)C2 ZINC001096487057 1362532248 /nfs/dbraw/zinc/53/22/48/1362532248.db2.gz XAZZVKHVRFJLMX-IKGGRYGDSA-N 1 2 330.859 3.192 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccccc2)C3)c(F)c1 ZINC001096744420 1362683109 /nfs/dbraw/zinc/68/31/09/1362683109.db2.gz XDKFPLNAVPXFNJ-RLLQIKCJSA-N 1 2 349.409 3.233 20 30 EGEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccccc2)C3)c(F)c1 ZINC001096744420 1362683111 /nfs/dbraw/zinc/68/31/11/1362683111.db2.gz XDKFPLNAVPXFNJ-RLLQIKCJSA-N 1 2 349.409 3.233 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[C@H](CN(C)c2cc[nH+]c(C)n2)C1 ZINC001096876033 1362763476 /nfs/dbraw/zinc/76/34/76/1362763476.db2.gz QVMIBGKXTBSHFZ-IAGOWNOFSA-N 1 2 330.476 3.062 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096934657 1362782429 /nfs/dbraw/zinc/78/24/29/1362782429.db2.gz NKHKQCIIIXYYJZ-INIZCTEOSA-N 1 2 328.460 3.115 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)oc1C ZINC001096959401 1362794088 /nfs/dbraw/zinc/79/40/88/1362794088.db2.gz QCAQEWPVFPCDLE-AQNXPRMDSA-N 1 2 348.446 3.283 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)oc1C ZINC001096959401 1362794092 /nfs/dbraw/zinc/79/40/92/1362794092.db2.gz QCAQEWPVFPCDLE-AQNXPRMDSA-N 1 2 348.446 3.283 20 30 EGEDLO C#CC[C@@H](CC(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001097044154 1362822016 /nfs/dbraw/zinc/82/20/16/1362822016.db2.gz IYTQWZUMJTXRCN-FHWLQOOXSA-N 1 2 348.450 3.041 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001097242141 1362898554 /nfs/dbraw/zinc/89/85/54/1362898554.db2.gz OZNUJTCJTDWKSL-BVUBDWEXSA-N 1 2 330.476 3.426 20 30 EGEDLO C=CCCCC(=O)N[C@H]1C[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001097244033 1362899550 /nfs/dbraw/zinc/89/95/50/1362899550.db2.gz AHXTVSUYSLRATN-GASCZTMLSA-N 1 2 328.460 3.079 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccccc1CC)C2 ZINC001097316067 1362927135 /nfs/dbraw/zinc/92/71/35/1362927135.db2.gz PAOGUEVZFWFHIS-KURKYZTESA-N 1 2 332.875 3.266 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccccc1CC)C2 ZINC001097316067 1362927138 /nfs/dbraw/zinc/92/71/38/1362927138.db2.gz PAOGUEVZFWFHIS-KURKYZTESA-N 1 2 332.875 3.266 20 30 EGEDLO C#CCCCC(=O)N1CCC[C@@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001097366741 1362953918 /nfs/dbraw/zinc/95/39/18/1362953918.db2.gz VYYUMGDSKHXZNC-KRWDZBQOSA-N 1 2 342.487 3.362 20 30 EGEDLO Cc1cc(N2CCCC[C@H]2CNC(=O)C#CC(C)C)nc(C(C)C)[nH+]1 ZINC001097415454 1362979096 /nfs/dbraw/zinc/97/90/96/1362979096.db2.gz GLUCTEHXSKRCJU-KRWDZBQOSA-N 1 2 342.487 3.043 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c(cn1)CCCC3)C2 ZINC001097496666 1363021182 /nfs/dbraw/zinc/02/11/82/1363021182.db2.gz VMBNYDQUGXGDMA-NUJGCVRESA-N 1 2 345.874 3.048 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c(cn1)CCCC3)C2 ZINC001097496666 1363021186 /nfs/dbraw/zinc/02/11/86/1363021186.db2.gz VMBNYDQUGXGDMA-NUJGCVRESA-N 1 2 345.874 3.048 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H](C)[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001097533677 1363042967 /nfs/dbraw/zinc/04/29/67/1363042967.db2.gz AOEYZVLULMKVSX-QAPCUYQASA-N 1 2 342.487 3.275 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H](C)[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097534158 1363043100 /nfs/dbraw/zinc/04/31/00/1363043100.db2.gz DZPYNUJNDAOWMH-WMZOPIPTSA-N 1 2 344.503 3.479 20 30 EGEDLO C=CCCCC(=O)N[C@H](C)[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097541334 1363048585 /nfs/dbraw/zinc/04/85/85/1363048585.db2.gz BCFAQGKEPNCFDT-AEFFLSMTSA-N 1 2 344.503 3.479 20 30 EGEDLO C#CCCCCCC(=O)N1C[C@@H]2CC[C@H](Nc3cc[nH+]c(C)n3)[C@H]2C1 ZINC001097604763 1363069742 /nfs/dbraw/zinc/06/97/42/1363069742.db2.gz QCDQSCAHQGZAMN-BZSNNMDCSA-N 1 2 340.471 3.018 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H](C)c2ncc(C)o2)cc1 ZINC001097626477 1363080230 /nfs/dbraw/zinc/08/02/30/1363080230.db2.gz IBOKSGDURDXQTE-PIKADFDJSA-N 1 2 349.434 3.061 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H](C)c2ncc(C)o2)cc1 ZINC001097626477 1363080234 /nfs/dbraw/zinc/08/02/34/1363080234.db2.gz IBOKSGDURDXQTE-PIKADFDJSA-N 1 2 349.434 3.061 20 30 EGEDLO C=CCC1(C(=O)NC2CCC(Nc3cc[nH+]c(C)n3)CC2)CCC1 ZINC001097639624 1363086065 /nfs/dbraw/zinc/08/60/65/1363086065.db2.gz BXVKQKUEUXIHRB-UHFFFAOYSA-N 1 2 328.460 3.371 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)C[C@H](C)O3)C2 ZINC001098043745 1363205966 /nfs/dbraw/zinc/20/59/66/1363205966.db2.gz SZAITWCJZMMLAC-DXEWXGHRSA-N 1 2 346.858 3.098 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)C[C@H](C)O3)C2 ZINC001098043745 1363205970 /nfs/dbraw/zinc/20/59/70/1363205970.db2.gz SZAITWCJZMMLAC-DXEWXGHRSA-N 1 2 346.858 3.098 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(CC(C)C)c[nH]1)C2 ZINC001098227987 1363261928 /nfs/dbraw/zinc/26/19/28/1363261928.db2.gz MSPHFAZLFFOOAS-INMHGKMJSA-N 1 2 335.879 3.301 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(CC(C)C)c[nH]1)C2 ZINC001098227987 1363261936 /nfs/dbraw/zinc/26/19/36/1363261936.db2.gz MSPHFAZLFFOOAS-INMHGKMJSA-N 1 2 335.879 3.301 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(C)CCc3ccccc31)C2 ZINC001098482143 1363339537 /nfs/dbraw/zinc/33/95/37/1363339537.db2.gz SDVDBVPNWSQJBU-LBKNJMOBSA-N 1 2 344.886 3.365 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(C)CCc3ccccc31)C2 ZINC001098482143 1363339542 /nfs/dbraw/zinc/33/95/42/1363339542.db2.gz SDVDBVPNWSQJBU-LBKNJMOBSA-N 1 2 344.886 3.365 20 30 EGEDLO Cc1cnc(C[N@H+]2CC(C)(C)CC[C@H]2CNC(=O)C#CC(C)C)s1 ZINC001099064468 1363603555 /nfs/dbraw/zinc/60/35/55/1363603555.db2.gz DNMHNGLDEWSBGP-INIZCTEOSA-N 1 2 347.528 3.218 20 30 EGEDLO Cc1cnc(C[N@@H+]2CC(C)(C)CC[C@H]2CNC(=O)C#CC(C)C)s1 ZINC001099064468 1363603556 /nfs/dbraw/zinc/60/35/56/1363603556.db2.gz DNMHNGLDEWSBGP-INIZCTEOSA-N 1 2 347.528 3.218 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ncccn1 ZINC001099214972 1363695579 /nfs/dbraw/zinc/69/55/79/1363695579.db2.gz OVZCYZVVZDOUGL-UZLBHIALSA-N 1 2 344.503 3.186 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ncccn1 ZINC001099214972 1363695583 /nfs/dbraw/zinc/69/55/83/1363695583.db2.gz OVZCYZVVZDOUGL-UZLBHIALSA-N 1 2 344.503 3.186 20 30 EGEDLO C#CCC1(C(=O)NCC[C@@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001099558318 1363847588 /nfs/dbraw/zinc/84/75/88/1363847588.db2.gz HDHCNCVYPPHYFC-CQSZACIVSA-N 1 2 340.471 3.163 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCN(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001100684401 1364217617 /nfs/dbraw/zinc/21/76/17/1364217617.db2.gz ODOVVKNHFYLITG-OAHLLOKOSA-N 1 2 330.476 3.207 20 30 EGEDLO C=CCCC1(C(=O)NCCN(CC)c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001100705262 1364227769 /nfs/dbraw/zinc/22/77/69/1364227769.db2.gz VMNJXLMOZWRBEM-UHFFFAOYSA-N 1 2 342.487 3.351 20 30 EGEDLO Cc1cc(N2CCC[C@H]2CNC(=O)C#CC(C)(C)C)nc(C(C)C)[nH+]1 ZINC001100828809 1364281457 /nfs/dbraw/zinc/28/14/57/1364281457.db2.gz USAGBCGTBXMEMB-INIZCTEOSA-N 1 2 342.487 3.043 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001100895710 1364318594 /nfs/dbraw/zinc/31/85/94/1364318594.db2.gz OWSBETHAMJMUGM-RDJZCZTQSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001100896156 1364319420 /nfs/dbraw/zinc/31/94/20/1364319420.db2.gz WFQISNHIPHOAJU-CXAGYDPISA-N 1 2 330.476 3.089 20 30 EGEDLO C=C1CCC(C(=O)NCCN(CCC)c2nc(C)[nH+]c(C)c2C)CC1 ZINC001101239402 1364481156 /nfs/dbraw/zinc/48/11/56/1364481156.db2.gz QDXZODLSFPKEKB-UHFFFAOYSA-N 1 2 344.503 3.481 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](CC)CCCCC)c1nccn12 ZINC001101653021 1364674649 /nfs/dbraw/zinc/67/46/49/1364674649.db2.gz YHDXQGXUSBXRHY-DLBZAZTESA-N 1 2 344.503 3.248 20 30 EGEDLO C=C1CCC(C(=O)N(C)CCNc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001101928878 1364777325 /nfs/dbraw/zinc/77/73/25/1364777325.db2.gz FXTPKIITEBLJBY-UHFFFAOYSA-N 1 2 328.460 3.279 20 30 EGEDLO C=CCCCC(=O)NCCCN(c1nc(C)[nH+]c(C)c1C)C(C)C ZINC001102138000 1364884628 /nfs/dbraw/zinc/88/46/28/1364884628.db2.gz FTATUUZNQDGPIS-UHFFFAOYSA-N 1 2 332.492 3.479 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nc(C)[nH+]c(C)c1C ZINC001102206816 1364933714 /nfs/dbraw/zinc/93/37/14/1364933714.db2.gz RTXVYTYRBPNBFI-DSIZOQBWSA-N 1 2 342.487 3.040 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC(CN(C)c2cc[nH+]c(C)n2)CC1 ZINC001102465993 1365070844 /nfs/dbraw/zinc/07/08/44/1365070844.db2.gz AUBXJVGYIDFRCE-UHFFFAOYSA-N 1 2 330.476 3.062 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([NH2+]Cc3ncc(C(C)C)o3)C2)CCC1 ZINC001185468119 1387722609 /nfs/dbraw/zinc/72/26/09/1387722609.db2.gz FFJPHVFYIMQCLA-OAHLLOKOSA-N 1 2 331.460 3.235 20 30 EGEDLO C=CCC1(C(=O)N(C)[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)C2)CCC1 ZINC001102754951 1365203520 /nfs/dbraw/zinc/20/35/20/1365203520.db2.gz ZRAVCZUOXOLYQB-KRWDZBQOSA-N 1 2 342.487 3.185 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1CCCCN(c2cc[nH+]c(C)n2)C1 ZINC001102877485 1365267402 /nfs/dbraw/zinc/26/74/02/1365267402.db2.gz BLUIBZGKRXQJTH-AWEZNQCLSA-N 1 2 336.867 3.039 20 30 EGEDLO C=CCC1(C(=O)NCC[C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)CCC1 ZINC001102947872 1365310061 /nfs/dbraw/zinc/31/00/61/1365310061.db2.gz LLYOAUKLUXOAEZ-KRWDZBQOSA-N 1 2 342.487 3.254 20 30 EGEDLO C=C(C)CCC(=O)NCC[C@@H]1C[N@H+](Cc2noc(C(C)C)n2)C[C@H]1C ZINC001103040367 1365350598 /nfs/dbraw/zinc/35/05/98/1365350598.db2.gz RWHOYIREDVCJEX-HZPDHXFCSA-N 1 2 348.491 3.124 20 30 EGEDLO C=C(C)CCC(=O)NCC[C@@H]1C[N@@H+](Cc2noc(C(C)C)n2)C[C@H]1C ZINC001103040367 1365350602 /nfs/dbraw/zinc/35/06/02/1365350602.db2.gz RWHOYIREDVCJEX-HZPDHXFCSA-N 1 2 348.491 3.124 20 30 EGEDLO C#CCCCC(=O)N[C@@]1(CNc2cc[nH+]c(C)n2)CCCC[C@@H]1C ZINC001103599365 1365665126 /nfs/dbraw/zinc/66/51/26/1365665126.db2.gz LRKITSYTJMGKAG-HNAYVOBHSA-N 1 2 328.460 3.066 20 30 EGEDLO CC(C)c1cc(NC[C@H](C)CNC(=O)[C@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001103898033 1365827398 /nfs/dbraw/zinc/82/73/98/1365827398.db2.gz DXHWQWIBULTZPS-UONOGXRCSA-N 1 2 331.464 3.047 20 30 EGEDLO CC(C)c1cc(NC[C@@H](C)CNC(=O)[C@@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001103898032 1365827531 /nfs/dbraw/zinc/82/75/31/1365827531.db2.gz DXHWQWIBULTZPS-KGLIPLIRSA-N 1 2 331.464 3.047 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104161385 1365931794 /nfs/dbraw/zinc/93/17/94/1365931794.db2.gz PCPYGYFZVQDEJR-GJZGRUSLSA-N 1 2 344.503 3.430 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H](C)CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001104212228 1365953710 /nfs/dbraw/zinc/95/37/10/1365953710.db2.gz YPXYLRFKPLRENL-CQSZACIVSA-N 1 2 330.476 3.429 20 30 EGEDLO Cc1cc(NC[C@@H](C)N(C)C(=O)C#CC(C)(C)C)nc(C(C)C)[nH+]1 ZINC001104556745 1366074060 /nfs/dbraw/zinc/07/40/60/1366074060.db2.gz QSLUORXBTCJPFK-OAHLLOKOSA-N 1 2 330.476 3.217 20 30 EGEDLO Cc1cc(NC[C@H](CC(C)C)NC(=O)C#CC2CC2)nc(C2CC2)[nH+]1 ZINC001104946698 1366236439 /nfs/dbraw/zinc/23/64/39/1366236439.db2.gz LEKWIPZWOYDEPW-KRWDZBQOSA-N 1 2 340.471 3.019 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@H](Nc3cc[nH+]c(C)n3)[C@H](C)C2)CC1 ZINC001105057026 1366298540 /nfs/dbraw/zinc/29/85/40/1366298540.db2.gz JXDSOWNALJWVEL-ZBFHGGJFSA-N 1 2 328.460 3.180 20 30 EGEDLO CC#CCCCC(=O)N1CCCC[C@H]1CCNc1cc[nH+]c(C)n1 ZINC001105069347 1366306341 /nfs/dbraw/zinc/30/63/41/1366306341.db2.gz JOGJDEBGJYTBPR-KRWDZBQOSA-N 1 2 328.460 3.162 20 30 EGEDLO Cc1cc(N[C@@H](CNC(=O)C#CC(C)(C)C)C(C)C)nc(C2CC2)[nH+]1 ZINC001105171486 1366354823 /nfs/dbraw/zinc/35/48/23/1366354823.db2.gz BGCLHPKMFSTDSV-INIZCTEOSA-N 1 2 342.487 3.265 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N(C)CCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001105528142 1366511773 /nfs/dbraw/zinc/51/17/73/1366511773.db2.gz HKCCNTIMSZFVNK-HUUCEWRRSA-N 1 2 344.503 3.017 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC(OC2C[NH+](CC=C(C)C)C2)CC1 ZINC001105721308 1366584871 /nfs/dbraw/zinc/58/48/71/1366584871.db2.gz XQJXFPGRVKPFBO-QGZVFWFLSA-N 1 2 334.504 3.247 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H](C)CC(C)(C)C)CC2)C1 ZINC001105726218 1366586691 /nfs/dbraw/zinc/58/66/91/1366586691.db2.gz GQXGHHOFCISKIY-MRXNPFEDSA-N 1 2 336.520 3.327 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CC3(C=C)CCCCC3)CC2)C1 ZINC001105727615 1366587009 /nfs/dbraw/zinc/58/70/09/1366587009.db2.gz ADZSEOIOHJLXMT-UHFFFAOYSA-N 1 2 346.515 3.391 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N(CC)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106923876 1366835060 /nfs/dbraw/zinc/83/50/60/1366835060.db2.gz JZEZGGXZTKZSFO-DZGCQCFKSA-N 1 2 330.476 3.381 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)C(F)C(F)(F)F)CCC[C@@H]12 ZINC001107414511 1366956881 /nfs/dbraw/zinc/95/68/81/1366956881.db2.gz LKYBVTVKVFMGAT-NTZNESFSSA-N 1 2 342.764 3.000 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](F)C(F)(F)F)CCC[C@@H]12 ZINC001107414511 1366956885 /nfs/dbraw/zinc/95/68/85/1366956885.db2.gz LKYBVTVKVFMGAT-NTZNESFSSA-N 1 2 342.764 3.000 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](F)C(F)(F)F)CCC[C@@H]12 ZINC001107414511 1366956887 /nfs/dbraw/zinc/95/68/87/1366956887.db2.gz LKYBVTVKVFMGAT-NTZNESFSSA-N 1 2 342.764 3.000 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)C(F)C(F)(F)F)CCC[C@@H]12 ZINC001107414511 1366956879 /nfs/dbraw/zinc/95/68/79/1366956879.db2.gz LKYBVTVKVFMGAT-NTZNESFSSA-N 1 2 342.764 3.000 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NC/C=C\CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001107456800 1366970530 /nfs/dbraw/zinc/97/05/30/1366970530.db2.gz VKALEOXTASNNPR-AYPLEAKFSA-N 1 2 330.476 3.451 20 30 EGEDLO C=C1CC(C)(C(=O)NC/C=C\CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001107507169 1367007329 /nfs/dbraw/zinc/00/73/29/1367007329.db2.gz UYLMWARGZOAUSG-SREVYHEPSA-N 1 2 340.471 3.104 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H](C)CN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001109225590 1367013229 /nfs/dbraw/zinc/01/32/29/1367013229.db2.gz QKJDTDCIRCXFSE-VBKZILBWSA-N 1 2 344.503 3.207 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCO[C@@H](C)CC(C)C)C2 ZINC001109264037 1367032752 /nfs/dbraw/zinc/03/27/52/1367032752.db2.gz MEIBELROEOXFHX-YVSFHVDLSA-N 1 2 342.911 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCO[C@@H](C)CC(C)C)C2 ZINC001109264037 1367032757 /nfs/dbraw/zinc/03/27/57/1367032757.db2.gz MEIBELROEOXFHX-YVSFHVDLSA-N 1 2 342.911 3.302 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CCCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001109347629 1367076756 /nfs/dbraw/zinc/07/67/56/1367076756.db2.gz ZGKVCCATCCEMHT-IAGOWNOFSA-N 1 2 328.460 3.066 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C(C)(C)C)on2)C1 ZINC001189744079 1367100541 /nfs/dbraw/zinc/10/05/41/1367100541.db2.gz LVAPTNBFTJUVJN-QGZVFWFLSA-N 1 2 345.487 3.198 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C(C)(C)C)on2)C1 ZINC001189744079 1367100543 /nfs/dbraw/zinc/10/05/43/1367100543.db2.gz LVAPTNBFTJUVJN-QGZVFWFLSA-N 1 2 345.487 3.198 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnc(Cl)c1 ZINC001109601781 1367224372 /nfs/dbraw/zinc/22/43/72/1367224372.db2.gz ONPABRYEIHGQOR-ILXRZTDVSA-N 1 2 333.863 3.169 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnc(Cl)c1 ZINC001109601781 1367224379 /nfs/dbraw/zinc/22/43/79/1367224379.db2.gz ONPABRYEIHGQOR-ILXRZTDVSA-N 1 2 333.863 3.169 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc2ccccc2o1 ZINC001109601693 1367224453 /nfs/dbraw/zinc/22/44/53/1367224453.db2.gz LIXDQSMPAIALFB-KBMXLJTQSA-N 1 2 339.439 3.262 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc2ccccc2o1 ZINC001109601693 1367224456 /nfs/dbraw/zinc/22/44/56/1367224456.db2.gz LIXDQSMPAIALFB-KBMXLJTQSA-N 1 2 339.439 3.262 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H]([N@H+](C)Cc2nc(C)cs2)C1 ZINC001190327084 1367228040 /nfs/dbraw/zinc/22/80/40/1367228040.db2.gz AKLKVKHSVNKAEU-INIZCTEOSA-N 1 2 333.501 3.253 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H]([N@@H+](C)Cc2nc(C)cs2)C1 ZINC001190327084 1367228046 /nfs/dbraw/zinc/22/80/46/1367228046.db2.gz AKLKVKHSVNKAEU-INIZCTEOSA-N 1 2 333.501 3.253 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(C3CC3)oc2C2CC2)C1 ZINC001108086644 1367276539 /nfs/dbraw/zinc/27/65/39/1367276539.db2.gz RSVLKMXNVDLLNI-HXUWFJFHSA-N 1 2 344.455 3.041 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(C3CC3)oc2C2CC2)C1 ZINC001108086644 1367276544 /nfs/dbraw/zinc/27/65/44/1367276544.db2.gz RSVLKMXNVDLLNI-HXUWFJFHSA-N 1 2 344.455 3.041 20 30 EGEDLO CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)CC1 ZINC001109685078 1367281937 /nfs/dbraw/zinc/28/19/37/1367281937.db2.gz MCHPSSAHUSYNCS-NJAFHUGGSA-N 1 2 341.430 3.109 20 30 EGEDLO CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)CC1 ZINC001109685078 1367281942 /nfs/dbraw/zinc/28/19/42/1367281942.db2.gz MCHPSSAHUSYNCS-NJAFHUGGSA-N 1 2 341.430 3.109 20 30 EGEDLO C#CCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ncc(C(C)C)o3)C2)CCC1 ZINC001190604850 1367306487 /nfs/dbraw/zinc/30/64/87/1367306487.db2.gz RYPJXELSSXIGNC-MRXNPFEDSA-N 1 2 343.471 3.024 20 30 EGEDLO C#CCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3ncc(C(C)C)o3)C2)CCC1 ZINC001190604850 1367306490 /nfs/dbraw/zinc/30/64/90/1367306490.db2.gz RYPJXELSSXIGNC-MRXNPFEDSA-N 1 2 343.471 3.024 20 30 EGEDLO CC(C)[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109784684 1367323410 /nfs/dbraw/zinc/32/34/10/1367323410.db2.gz VHXYSKWYIQWFMN-BIGGFVEDSA-N 1 2 343.446 3.211 20 30 EGEDLO CC(C)[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109784684 1367323414 /nfs/dbraw/zinc/32/34/14/1367323414.db2.gz VHXYSKWYIQWFMN-BIGGFVEDSA-N 1 2 343.446 3.211 20 30 EGEDLO C=CCn1cccc1C(=O)N1CC[C@H]([N@H+](C)CC=C(Cl)Cl)C1 ZINC001190675502 1367325861 /nfs/dbraw/zinc/32/58/61/1367325861.db2.gz PBNHONZZHCYMSC-ZDUSSCGKSA-N 1 2 342.270 3.139 20 30 EGEDLO C=CCn1cccc1C(=O)N1CC[C@H]([N@@H+](C)CC=C(Cl)Cl)C1 ZINC001190675502 1367325866 /nfs/dbraw/zinc/32/58/66/1367325866.db2.gz PBNHONZZHCYMSC-ZDUSSCGKSA-N 1 2 342.270 3.139 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)CC2CCCCC2)C1 ZINC001108255955 1367366652 /nfs/dbraw/zinc/36/66/52/1367366652.db2.gz PGOXRVBISWYESU-FPOVZHCZSA-N 1 2 348.531 3.213 20 30 EGEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)CC2CCCCC2)C1 ZINC001108255955 1367366656 /nfs/dbraw/zinc/36/66/56/1367366656.db2.gz PGOXRVBISWYESU-FPOVZHCZSA-N 1 2 348.531 3.213 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC2CCCC2)C(C)C)C1 ZINC001108258761 1367368406 /nfs/dbraw/zinc/36/84/06/1367368406.db2.gz URTNBXJJIZQXCO-QUCCMNQESA-N 1 2 336.520 3.232 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC2CCCC2)C(C)C)C1 ZINC001108258761 1367368414 /nfs/dbraw/zinc/36/84/14/1367368414.db2.gz URTNBXJJIZQXCO-QUCCMNQESA-N 1 2 336.520 3.232 20 30 EGEDLO CCCCCCCCNC(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC001191061011 1367412997 /nfs/dbraw/zinc/41/29/97/1367412997.db2.gz FUQAPQQEZNSVEU-UHFFFAOYSA-N 1 2 346.519 3.312 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2oc3c(cccc3C)c2C)C1 ZINC001108421271 1367446412 /nfs/dbraw/zinc/44/64/12/1367446412.db2.gz JMLHPJQYTBTDLM-FQEVSTJZSA-N 1 2 342.439 3.056 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2oc3c(cccc3C)c2C)C1 ZINC001108421271 1367446413 /nfs/dbraw/zinc/44/64/13/1367446413.db2.gz JMLHPJQYTBTDLM-FQEVSTJZSA-N 1 2 342.439 3.056 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(C3=CCCC3)cc2)C1 ZINC001108450143 1367462868 /nfs/dbraw/zinc/46/28/68/1367462868.db2.gz KGASUTXVCLSJPW-OAQYLSRUSA-N 1 2 340.467 3.261 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(C3=CCCC3)cc2)C1 ZINC001108450143 1367462873 /nfs/dbraw/zinc/46/28/73/1367462873.db2.gz KGASUTXVCLSJPW-OAQYLSRUSA-N 1 2 340.467 3.261 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@H](CC)C1 ZINC001110033835 1367472658 /nfs/dbraw/zinc/47/26/58/1367472658.db2.gz QOVBCTUMMSJRPI-HZPDHXFCSA-N 1 2 330.476 3.426 20 30 EGEDLO C#CCC1(C(=O)N2CC[C@H](Nc3cc[nH+]c(C)n3)[C@H](CC)C2)CCC1 ZINC001110036597 1367475722 /nfs/dbraw/zinc/47/57/22/1367475722.db2.gz VUDZSYGFUXIKCR-SJORKVTESA-N 1 2 340.471 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)COc1ccccc1)C2 ZINC001110106593 1367505118 /nfs/dbraw/zinc/50/51/18/1367505118.db2.gz XZQIEJLJUBMCDK-WCZJQEMASA-N 1 2 348.874 3.176 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)COc1ccccc1)C2 ZINC001110106593 1367505119 /nfs/dbraw/zinc/50/51/19/1367505119.db2.gz XZQIEJLJUBMCDK-WCZJQEMASA-N 1 2 348.874 3.176 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H]([N@H+](C)CC(=C)Br)C1 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RMJUZYTVGIJPHG-ZBFHGGJFSA-N 1 2 335.879 3.370 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2csc(CC)n2)C1 ZINC001191889604 1367627479 /nfs/dbraw/zinc/62/74/79/1367627479.db2.gz IUQVYMCEYDXKAS-GOEBONIOSA-N 1 2 335.517 3.341 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2csc(CC)n2)C1 ZINC001191889604 1367627482 /nfs/dbraw/zinc/62/74/82/1367627482.db2.gz IUQVYMCEYDXKAS-GOEBONIOSA-N 1 2 335.517 3.341 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2nc(C(C)C)no2)C1 ZINC001192058785 1367677184 /nfs/dbraw/zinc/67/71/84/1367677184.db2.gz AZYLBGGWWSJTHP-CABCVRRESA-N 1 2 334.464 3.143 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2nc(C(C)C)no2)C1 ZINC001192058785 1367677189 /nfs/dbraw/zinc/67/71/89/1367677189.db2.gz AZYLBGGWWSJTHP-CABCVRRESA-N 1 2 334.464 3.143 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@H]1[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001110414038 1367704278 /nfs/dbraw/zinc/70/42/78/1367704278.db2.gz VTJIEEQBLOCUJO-ROUUACIJSA-N 1 2 342.487 3.349 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)CC(=C)Br)C2)CCC1 ZINC001192218139 1367720503 /nfs/dbraw/zinc/72/05/03/1367720503.db2.gz NIBYZANDDXONFP-AWEZNQCLSA-N 1 2 341.293 3.174 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)CC(=C)Br)C2)CCC1 ZINC001192218139 1367720508 /nfs/dbraw/zinc/72/05/08/1367720508.db2.gz NIBYZANDDXONFP-AWEZNQCLSA-N 1 2 341.293 3.174 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001110447704 1367731866 /nfs/dbraw/zinc/73/18/66/1367731866.db2.gz QAITWCMPYMXOSH-KURKYZTESA-N 1 2 344.405 3.162 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001110447704 1367731872 /nfs/dbraw/zinc/73/18/72/1367731872.db2.gz QAITWCMPYMXOSH-KURKYZTESA-N 1 2 344.405 3.162 20 30 EGEDLO C=CCCC(=O)N1CC[C@@]2(CCN(c3cc(C)[nH+]c(C4CC4)n3)C2)C1 ZINC001110469309 1367759232 /nfs/dbraw/zinc/75/92/32/1367759232.db2.gz YFVIYNINYICKPA-HXUWFJFHSA-N 1 2 340.471 3.057 20 30 EGEDLO CCC[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F 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/nfs/dbraw/zinc/82/28/13/1367822813.db2.gz BTQJNXBMXFIQBL-CABCVRRESA-N 1 2 348.491 3.389 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2nc(C(C)C)no2)C1 ZINC001192576960 1367822818 /nfs/dbraw/zinc/82/28/18/1367822818.db2.gz BTQJNXBMXFIQBL-CABCVRRESA-N 1 2 348.491 3.389 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)CCC)C1 ZINC001193108851 1367946366 /nfs/dbraw/zinc/94/63/66/1367946366.db2.gz BXBXEAYUNWYZEQ-KBPBESRZSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)CCC)C1 ZINC001193108851 1367946369 /nfs/dbraw/zinc/94/63/69/1367946369.db2.gz BXBXEAYUNWYZEQ-KBPBESRZSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)CCC)C1 ZINC001193108854 1367946695 /nfs/dbraw/zinc/94/66/95/1367946695.db2.gz BXBXEAYUNWYZEQ-ZIAGYGMSSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)CCC)C1 ZINC001193108854 1367946697 /nfs/dbraw/zinc/94/66/97/1367946697.db2.gz BXBXEAYUNWYZEQ-ZIAGYGMSSA-N 1 2 331.298 3.254 20 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1368489340 /nfs/dbraw/zinc/48/93/40/1368489340.db2.gz QQGIUWNLLKQKKE-UHFFFAOYSA-N 1 2 334.410 3.049 20 30 EGEDLO C=CCCOCCCCC(=O)N1CCC[N@@H+](CC(=C)Cl)CC1 ZINC001195838888 1368501194 /nfs/dbraw/zinc/50/11/94/1368501194.db2.gz FTVTWGHVKRHYSN-UHFFFAOYSA-N 1 2 328.884 3.036 20 30 EGEDLO C=CCCOCCCCC(=O)N1CCC[N@H+](CC(=C)Cl)CC1 ZINC001195838888 1368501199 /nfs/dbraw/zinc/50/11/99/1368501199.db2.gz FTVTWGHVKRHYSN-UHFFFAOYSA-N 1 2 328.884 3.036 20 30 EGEDLO CC(C)=C(C)CC(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001196782233 1368684000 /nfs/dbraw/zinc/68/40/00/1368684000.db2.gz KNNMASYVGACSPW-UHFFFAOYSA-N 1 2 343.446 3.478 20 30 EGEDLO CC(C)=C(C)CC(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001196782233 1368684004 /nfs/dbraw/zinc/68/40/04/1368684004.db2.gz KNNMASYVGACSPW-UHFFFAOYSA-N 1 2 343.446 3.478 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(F)c(F)c2)CC1 ZINC001196831197 1368693491 /nfs/dbraw/zinc/69/34/91/1368693491.db2.gz PFUVQLOTJVZFHR-GJZGRUSLSA-N 1 2 336.426 3.457 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(F)c(F)c2)CC1 ZINC001196831197 1368693495 /nfs/dbraw/zinc/69/34/95/1368693495.db2.gz PFUVQLOTJVZFHR-GJZGRUSLSA-N 1 2 336.426 3.457 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2cc(F)cc(F)c2)CC1 ZINC001196853043 1368698509 /nfs/dbraw/zinc/69/85/09/1368698509.db2.gz FJUUUUNILPLYPT-CABCVRRESA-N 1 2 336.426 3.457 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2cc(F)cc(F)c2)CC1 ZINC001196853043 1368698514 /nfs/dbraw/zinc/69/85/14/1368698514.db2.gz FJUUUUNILPLYPT-CABCVRRESA-N 1 2 336.426 3.457 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2nc(C)sc2C)CC1 ZINC001196853130 1368699366 /nfs/dbraw/zinc/69/93/66/1368699366.db2.gz HLTXZRDCSVEITB-KBPBESRZSA-N 1 2 335.517 3.252 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2nc(C)sc2C)CC1 ZINC001196853130 1368699370 /nfs/dbraw/zinc/69/93/70/1368699370.db2.gz HLTXZRDCSVEITB-KBPBESRZSA-N 1 2 335.517 3.252 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2cc(F)ccc2F)CC1 ZINC001196854120 1368699820 /nfs/dbraw/zinc/69/98/20/1368699820.db2.gz PIWZJGMSBZYEGT-LSDHHAIUSA-N 1 2 336.426 3.457 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2cc(F)ccc2F)CC1 ZINC001196854120 1368699823 /nfs/dbraw/zinc/69/98/23/1368699823.db2.gz PIWZJGMSBZYEGT-LSDHHAIUSA-N 1 2 336.426 3.457 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001196901554 1368710747 /nfs/dbraw/zinc/71/07/47/1368710747.db2.gz PAMJFAAAPCLEND-INIZCTEOSA-N 1 2 343.446 3.334 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001196901554 1368710751 /nfs/dbraw/zinc/71/07/51/1368710751.db2.gz PAMJFAAAPCLEND-INIZCTEOSA-N 1 2 343.446 3.334 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H]([C@H]2CCCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001112202090 1368711539 /nfs/dbraw/zinc/71/15/39/1368711539.db2.gz GBPNBIVJIFXHGM-ROUUACIJSA-N 1 2 342.487 3.206 20 30 EGEDLO C#CCCCCC(=O)N1C[C@@H](C)[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001112308728 1368759224 /nfs/dbraw/zinc/75/92/24/1368759224.db2.gz MJVXQBWHBIMWOZ-WBVHZDCISA-N 1 2 342.487 3.361 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001197292177 1368780900 /nfs/dbraw/zinc/78/09/00/1368780900.db2.gz RLEFXIMBVAWVPR-UHFFFAOYSA-N 1 2 343.446 3.334 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001197292177 1368780906 /nfs/dbraw/zinc/78/09/06/1368780906.db2.gz RLEFXIMBVAWVPR-UHFFFAOYSA-N 1 2 343.446 3.334 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001112380190 1368807800 /nfs/dbraw/zinc/80/78/00/1368807800.db2.gz XDYODZVRNOYBRM-OAHLLOKOSA-N 1 2 330.476 3.108 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001112380843 1368808134 /nfs/dbraw/zinc/80/81/34/1368808134.db2.gz AYYRIORJPAFLCK-MRXNPFEDSA-N 1 2 344.503 3.335 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001112381830 1368809753 /nfs/dbraw/zinc/80/97/53/1368809753.db2.gz VLDWSEJLMVMYJR-GDBMZVCRSA-N 1 2 330.476 3.108 20 30 EGEDLO CC[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001197586676 1368846162 /nfs/dbraw/zinc/84/61/62/1368846162.db2.gz JMDNQELKMDNHAX-HOTGVXAUSA-N 1 2 345.462 3.414 20 30 EGEDLO CC[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001197586676 1368846167 /nfs/dbraw/zinc/84/61/67/1368846167.db2.gz JMDNQELKMDNHAX-HOTGVXAUSA-N 1 2 345.462 3.414 20 30 EGEDLO CC(C)C[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001197597960 1368851083 /nfs/dbraw/zinc/85/10/83/1368851083.db2.gz WWKLEWHOSNNEEE-MRXNPFEDSA-N 1 2 345.462 3.414 20 30 EGEDLO CC(C)C[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001197597960 1368851088 /nfs/dbraw/zinc/85/10/88/1368851088.db2.gz WWKLEWHOSNNEEE-MRXNPFEDSA-N 1 2 345.462 3.414 20 30 EGEDLO N#Cc1cccc(NC(=S)NCc2c[nH+]cn2Cc2ccccc2)c1 ZINC001197744239 1368887831 /nfs/dbraw/zinc/88/78/31/1368887831.db2.gz YQPQJYFYCRMVLO-UHFFFAOYSA-N 1 2 347.447 3.290 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@H](C)C1 ZINC001112495272 1368890899 /nfs/dbraw/zinc/89/08/99/1368890899.db2.gz PZWJYWLBFOTNND-DYVFJYSZSA-N 1 2 330.476 3.232 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H](C)C1 ZINC001112499052 1368896090 /nfs/dbraw/zinc/89/60/90/1368896090.db2.gz FACJNTOWODNILE-BLLLJJGKSA-N 1 2 330.476 3.088 20 30 EGEDLO C=CCCC(=O)N(C)[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001112618872 1368950323 /nfs/dbraw/zinc/95/03/23/1368950323.db2.gz UJBCTODPRKXWIE-KRWDZBQOSA-N 1 2 342.487 3.446 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N(C)[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001112633399 1368963674 /nfs/dbraw/zinc/96/36/74/1368963674.db2.gz KFLZQNFUWIULIF-DLBZAZTESA-N 1 2 330.476 3.205 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@@H]1CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001112806763 1369017670 /nfs/dbraw/zinc/01/76/70/1369017670.db2.gz XJNYLSDDGCAIFK-QGZVFWFLSA-N 1 2 342.487 3.446 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[NH+](CCOc2cc(C)cc(C)c2)CC1 ZINC001112898008 1369078473 /nfs/dbraw/zinc/07/84/73/1369078473.db2.gz FRXNZWBXBDCADP-UHFFFAOYSA-N 1 2 344.499 3.429 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)C1CC=CC1)c1ccccc1OC ZINC001198637637 1369079230 /nfs/dbraw/zinc/07/92/30/1369079230.db2.gz RTZNTLFXNMRJPH-INIZCTEOSA-N 1 2 334.847 3.161 20 30 EGEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccccc2CC(C)(C)C)CC1 ZINC001112995056 1369127827 /nfs/dbraw/zinc/12/78/27/1369127827.db2.gz QWGVFSQKGFPKTD-UHFFFAOYSA-N 1 2 344.499 3.236 20 30 EGEDLO CC#CCCCC(=O)N1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC001113226168 1369275334 /nfs/dbraw/zinc/27/53/34/1369275334.db2.gz OYPUPMWWDUSVMD-UHFFFAOYSA-N 1 2 334.410 3.462 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H](C)[C@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001113285870 1369318177 /nfs/dbraw/zinc/31/81/77/1369318177.db2.gz FWGFTFOMZAGBHQ-KBPBESRZSA-N 1 2 328.460 3.324 20 30 EGEDLO C=CCCCC(=O)N1CC[NH+](CCOc2cc(C)ccc2C)CC1 ZINC001113285101 1369318429 /nfs/dbraw/zinc/31/84/29/1369318429.db2.gz UORHKOMKQDJBMI-UHFFFAOYSA-N 1 2 330.472 3.183 20 30 EGEDLO C=CCCCC(=O)N[C@H](C)[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001113296358 1369328581 /nfs/dbraw/zinc/32/85/81/1369328581.db2.gz KWEUOEXWBDSYRG-KGLIPLIRSA-N 1 2 330.476 3.325 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](CC[C@@H]3CC3(Cl)Cl)CC2)CCC1 ZINC001113313921 1369340753 /nfs/dbraw/zinc/34/07/53/1369340753.db2.gz BLYOORZNGHBECY-CQSZACIVSA-N 1 2 345.314 3.461 20 30 EGEDLO C=CC1(CC(=O)NC[C@H](C)N(C)c2cc[nH+]c(C)n2)CCCCC1 ZINC001113649392 1369542792 /nfs/dbraw/zinc/54/27/92/1369542792.db2.gz WFPXUMZNMOLHDH-HNNXBMFYSA-N 1 2 330.476 3.253 20 30 EGEDLO C=CCO[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C3CCC3)cc2)CC1 ZINC001113713757 1369581628 /nfs/dbraw/zinc/58/16/28/1369581628.db2.gz XVLZHPPONFQPCG-QGZVFWFLSA-N 1 2 342.483 3.189 20 30 EGEDLO C#CCCCCCC(=O)NC[C@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001113802238 1369614276 /nfs/dbraw/zinc/61/42/76/1369614276.db2.gz KAWVMYYOLVMZSE-INIZCTEOSA-N 1 2 342.487 3.187 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H](C)N(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001113822469 1369623205 /nfs/dbraw/zinc/62/32/05/1369623205.db2.gz QMNVWPRBRZOVOD-CABCVRRESA-N 1 2 344.503 3.207 20 30 EGEDLO C=CCOCC(=O)N[C@H](CCCC)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001114233399 1369816604 /nfs/dbraw/zinc/81/66/04/1369816604.db2.gz PARISQNSFNKOAI-MRXNPFEDSA-N 1 2 348.491 3.198 20 30 EGEDLO C#CCCCC(=O)NC[C@@H]1CCCCCN1c1nc(C)[nH+]c(C)c1C ZINC001114357210 1369911039 /nfs/dbraw/zinc/91/10/39/1369911039.db2.gz XRHMKQXBKWGELG-SFHVURJKSA-N 1 2 342.487 3.071 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001114474081 1369964465 /nfs/dbraw/zinc/96/44/65/1369964465.db2.gz CKQKYSYSHIEALM-GUYCJALGSA-N 1 2 344.503 3.335 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001114484670 1369971905 /nfs/dbraw/zinc/97/19/05/1369971905.db2.gz GZBBOMZETAAKCJ-INIZCTEOSA-N 1 2 330.476 3.089 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C(CC)CC ZINC001114499404 1369975921 /nfs/dbraw/zinc/97/59/21/1369975921.db2.gz QIINENLGIJBVRS-SPWCGHHHSA-N 1 2 343.309 3.014 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C(CC)CC ZINC001114499404 1369975925 /nfs/dbraw/zinc/97/59/25/1369975925.db2.gz QIINENLGIJBVRS-SPWCGHHHSA-N 1 2 343.309 3.014 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1C[C@@]2(C)CN(c3cc[nH+]c(C)n3)C[C@@]2(C)C1 ZINC001114729051 1370050903 /nfs/dbraw/zinc/05/09/03/1370050903.db2.gz SUEQKPJSZQRCOQ-FFZOFVMBSA-N 1 2 342.487 3.062 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(C(C)(C)C)n3)C[C@H]21 ZINC001114760351 1370065907 /nfs/dbraw/zinc/06/59/07/1370065907.db2.gz ZDPLPTGCDFIQHN-QLPKVWCKSA-N 1 2 347.528 3.343 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(C(C)(C)C)n3)C[C@H]21 ZINC001114760351 1370065915 /nfs/dbraw/zinc/06/59/15/1370065915.db2.gz ZDPLPTGCDFIQHN-QLPKVWCKSA-N 1 2 347.528 3.343 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)CC(C)(C)C ZINC001114937857 1370164986 /nfs/dbraw/zinc/16/49/86/1370164986.db2.gz UNTAQZJWJJAHJO-ZZVYKPCYSA-N 1 2 343.309 3.014 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)CC(C)(C)C ZINC001114937857 1370164990 /nfs/dbraw/zinc/16/49/90/1370164990.db2.gz UNTAQZJWJJAHJO-ZZVYKPCYSA-N 1 2 343.309 3.014 20 30 EGEDLO C#CCC1(C(=O)N[C@@H](C)CCCNc2cc[nH+]c(C)n2)CCCCC1 ZINC001114964324 1370180730 /nfs/dbraw/zinc/18/07/30/1370180730.db2.gz MNCXWHXPVQHYAP-INIZCTEOSA-N 1 2 342.487 3.456 20 30 EGEDLO C=CC1(CC(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ncc(C)o4)C[C@H]32)CCCCC1 ZINC001114965367 1370181002 /nfs/dbraw/zinc/18/10/02/1370181002.db2.gz JCAIZLPYFJOFKO-MNZLEMJZSA-N 1 2 343.471 3.056 20 30 EGEDLO C=CC1(CC(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ncc(C)o4)C[C@H]32)CCCCC1 ZINC001114965367 1370181004 /nfs/dbraw/zinc/18/10/04/1370181004.db2.gz JCAIZLPYFJOFKO-MNZLEMJZSA-N 1 2 343.471 3.056 20 30 EGEDLO N#CC1(c2ccccc2F)CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203884517 1370299111 /nfs/dbraw/zinc/29/91/11/1370299111.db2.gz UOEKXKOXQFHCNE-UHFFFAOYSA-N 1 2 326.371 3.294 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3ncccn3)C[C@H]21 ZINC001115165705 1370322937 /nfs/dbraw/zinc/32/29/37/1370322937.db2.gz MJTQUDYVFBOCJP-VXNCWWDNSA-N 1 2 344.503 3.335 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3ncccn3)C[C@H]21 ZINC001115165705 1370322947 /nfs/dbraw/zinc/32/29/47/1370322947.db2.gz MJTQUDYVFBOCJP-VXNCWWDNSA-N 1 2 344.503 3.335 20 30 EGEDLO CC(C)(C)OC(=O)N1CCC2(C[NH+](Cc3ccccc3C#N)C2)C1 ZINC001204368112 1370455763 /nfs/dbraw/zinc/45/57/63/1370455763.db2.gz JOWPHQREJRVDEZ-UHFFFAOYSA-N 1 2 327.428 3.001 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc2ccccc2n1 ZINC001204504513 1370497093 /nfs/dbraw/zinc/49/70/93/1370497093.db2.gz RMLBAINSCGRYSK-HXUWFJFHSA-N 1 2 348.450 3.270 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc2ccccc2n1 ZINC001204504513 1370497096 /nfs/dbraw/zinc/49/70/96/1370497096.db2.gz RMLBAINSCGRYSK-HXUWFJFHSA-N 1 2 348.450 3.270 20 30 EGEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1Cc1cc(C)cc(C)c1 ZINC001204521277 1370502339 /nfs/dbraw/zinc/50/23/39/1370502339.db2.gz AUGZQAFVIYDSKO-IBGZPJMESA-N 1 2 340.471 3.217 20 30 EGEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1Cc1cc(C)cc(C)c1 ZINC001204521277 1370502342 /nfs/dbraw/zinc/50/23/42/1370502342.db2.gz AUGZQAFVIYDSKO-IBGZPJMESA-N 1 2 340.471 3.217 20 30 EGEDLO C#CCCCCC(=O)N(C)C[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001115682347 1370665235 /nfs/dbraw/zinc/66/52/35/1370665235.db2.gz MGPPTMGSPLNJHP-INIZCTEOSA-N 1 2 330.476 3.361 20 30 EGEDLO CC(C)c1cc(N[C@H](C)CN(C)C(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001115713944 1370692908 /nfs/dbraw/zinc/69/29/08/1370692908.db2.gz WTHZDOULDNWMNX-OAHLLOKOSA-N 1 2 342.487 3.396 20 30 EGEDLO CCCc1c(NCc2ccc[nH+]c2N)cnn1-c1cccc(C#N)c1 ZINC001205453257 1370759983 /nfs/dbraw/zinc/75/99/83/1370759983.db2.gz AAGHDCFIJBLUPR-UHFFFAOYSA-N 1 2 332.411 3.286 20 30 EGEDLO N#Cc1cc(C[NH+]2CCN(c3nccc4occc43)CC2)ccc1F ZINC001205493674 1370771822 /nfs/dbraw/zinc/77/18/22/1370771822.db2.gz IROUVJBRABCIOM-UHFFFAOYSA-N 1 2 336.370 3.161 20 30 EGEDLO CCC(CC)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206115750 1370963272 /nfs/dbraw/zinc/96/32/72/1370963272.db2.gz QZTBOKWDLPLHLQ-FZKQIMNGSA-N 1 2 331.435 3.070 20 30 EGEDLO CCC(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206115750 1370963275 /nfs/dbraw/zinc/96/32/75/1370963275.db2.gz QZTBOKWDLPLHLQ-FZKQIMNGSA-N 1 2 331.435 3.070 20 30 EGEDLO C#CC[N@@H+](CC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1)C1CC1 ZINC001117748032 1371073972 /nfs/dbraw/zinc/07/39/72/1371073972.db2.gz XCMJXHCRXAHCQW-UHFFFAOYSA-N 1 2 344.764 3.333 20 30 EGEDLO C#CC[N@H+](CC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1)C1CC1 ZINC001117748032 1371073974 /nfs/dbraw/zinc/07/39/74/1371073974.db2.gz XCMJXHCRXAHCQW-UHFFFAOYSA-N 1 2 344.764 3.333 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)C(C)C)C1 ZINC001206544205 1371088873 /nfs/dbraw/zinc/08/88/73/1371088873.db2.gz HADYDHSNQRTRSC-OUCADQQQSA-N 1 2 331.298 3.014 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)C(C)C)C1 ZINC001206544205 1371088876 /nfs/dbraw/zinc/08/88/76/1371088876.db2.gz HADYDHSNQRTRSC-OUCADQQQSA-N 1 2 331.298 3.014 20 30 EGEDLO O/N=C/c1ccc(-c2ccc(C[NH+]3CCOCC3)cc2F)cc1F ZINC001206733867 1371148414 /nfs/dbraw/zinc/14/84/14/1371148414.db2.gz FVWRUKBDVLDAPY-SRZZPIQSSA-N 1 2 332.350 3.272 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)c2F)C[C@H]1C ZINC001206938299 1371234005 /nfs/dbraw/zinc/23/40/05/1371234005.db2.gz QBHRIQAVCAVQJV-CZUORRHYSA-N 1 2 336.838 3.075 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)c2F)C[C@H]1C ZINC001206938299 1371234009 /nfs/dbraw/zinc/23/40/09/1371234009.db2.gz QBHRIQAVCAVQJV-CZUORRHYSA-N 1 2 336.838 3.075 20 30 EGEDLO Cn1cc(C[N@H+](C)Cc2cccc(Br)c2F)cc1C#N ZINC001207106198 1371295110 /nfs/dbraw/zinc/29/51/10/1371295110.db2.gz GJOOFNIOJBPCIO-UHFFFAOYSA-N 1 2 336.208 3.430 20 30 EGEDLO Cn1cc(C[N@@H+](C)Cc2cccc(Br)c2F)cc1C#N ZINC001207106198 1371295114 /nfs/dbraw/zinc/29/51/14/1371295114.db2.gz GJOOFNIOJBPCIO-UHFFFAOYSA-N 1 2 336.208 3.430 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2nc(C(C)C)no2)C1 ZINC001208260814 1371689203 /nfs/dbraw/zinc/68/92/03/1371689203.db2.gz FZWMFCSAHMKGPH-HUUCEWRRSA-N 1 2 334.464 3.191 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2csc(CCC)n2)C[C@H]1C ZINC001208309111 1371710115 /nfs/dbraw/zinc/71/01/15/1371710115.db2.gz BXWPDINJGRZKAS-UKRRQHHQSA-N 1 2 335.517 3.244 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2csc(CCC)n2)C[C@H]1C ZINC001208309111 1371710118 /nfs/dbraw/zinc/71/01/18/1371710118.db2.gz BXWPDINJGRZKAS-UKRRQHHQSA-N 1 2 335.517 3.244 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2noc3c2CCCC3)C[C@H]1C ZINC001208509027 1371792415 /nfs/dbraw/zinc/79/24/15/1371792415.db2.gz PKFMQPQVESGRLC-AKCHCHLHSA-N 1 2 345.487 3.092 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2noc3c2CCCC3)C[C@H]1C ZINC001208509027 1371792420 /nfs/dbraw/zinc/79/24/20/1371792420.db2.gz PKFMQPQVESGRLC-AKCHCHLHSA-N 1 2 345.487 3.092 20 30 EGEDLO C=CCOC(=O)N1CC[NH+](Cc2cccc3[nH]cc(Cl)c32)CC1 ZINC001209660098 1372164288 /nfs/dbraw/zinc/16/42/88/1372164288.db2.gz HGNDPUJUPUPXER-UHFFFAOYSA-N 1 2 333.819 3.262 20 30 EGEDLO C=CCN(CC=C)c1nnc([C@@H]2CCC[N@H+]2C)n1Cc1ccccc1 ZINC001122155406 1372189633 /nfs/dbraw/zinc/18/96/33/1372189633.db2.gz IUWZXYVPJHWKSE-SFHVURJKSA-N 1 2 337.471 3.272 20 30 EGEDLO C=CCN(CC=C)c1nnc([C@@H]2CCC[N@@H+]2C)n1Cc1ccccc1 ZINC001122155406 1372189639 /nfs/dbraw/zinc/18/96/39/1372189639.db2.gz IUWZXYVPJHWKSE-SFHVURJKSA-N 1 2 337.471 3.272 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2nc(CCCC)no2)C1 ZINC001209865619 1372217172 /nfs/dbraw/zinc/21/71/72/1372217172.db2.gz IVEBEPVARSAFKU-OAHLLOKOSA-N 1 2 348.491 3.095 20 30 EGEDLO N#C[C@H]1C[NH2+]CCN1Cc1c(Cl)c(Cl)ccc1C(F)(F)F ZINC001210122830 1372275509 /nfs/dbraw/zinc/27/55/09/1372275509.db2.gz SZTQUIOQZDPOGZ-QMMMGPOBSA-N 1 2 338.160 3.310 20 30 EGEDLO Cc1cc(C#N)cc(Nc2cc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c(C)n2)c1 ZINC001210388115 1372340697 /nfs/dbraw/zinc/34/06/97/1372340697.db2.gz GBMAHIHQHDGRAR-KBPBESRZSA-N 1 2 337.427 3.322 20 30 EGEDLO Cc1cc(C#N)cc(Nc2cc(N3C[C@H](C)O[C@@H](C)C3)nc(C)[nH+]2)c1 ZINC001210388115 1372340703 /nfs/dbraw/zinc/34/07/03/1372340703.db2.gz GBMAHIHQHDGRAR-KBPBESRZSA-N 1 2 337.427 3.322 20 30 EGEDLO C=CCOc1ccc(CC(=O)OCCc2cn3c([nH+]2)CCCC3)cc1 ZINC001122947006 1372346183 /nfs/dbraw/zinc/34/61/83/1372346183.db2.gz UUFMEYGDZSVGAZ-UHFFFAOYSA-N 1 2 340.423 3.113 20 30 EGEDLO C=CCCC(=O)N[C@@]12CCC[C@@H]1N(c1cc(C)[nH+]c(C(C)C)n1)CC2 ZINC001123386384 1372450680 /nfs/dbraw/zinc/45/06/80/1372450680.db2.gz QRRZCNOPBQRCQL-OXJNMPFZSA-N 1 2 342.487 3.492 20 30 EGEDLO C=CCCCC(=O)N[C@@]12CCC[C@H]1N(c1cc(C)[nH+]c(CC)n1)CC2 ZINC001123460560 1372478077 /nfs/dbraw/zinc/47/80/77/1372478077.db2.gz YDSVIGNKMZGUQZ-OXQOHEQNSA-N 1 2 342.487 3.321 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3nnc(C)o3)C[C@H]2C)CCCC1 ZINC001211495375 1372568061 /nfs/dbraw/zinc/56/80/61/1372568061.db2.gz KTSNASOJELZSCG-IIAWOOMASA-N 1 2 346.475 3.012 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3nnc(C)o3)C[C@H]2C)CCCC1 ZINC001211495375 1372568062 /nfs/dbraw/zinc/56/80/62/1372568062.db2.gz KTSNASOJELZSCG-IIAWOOMASA-N 1 2 346.475 3.012 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3nc(C)oc3C)C[C@H]2C)CCCC1 ZINC001211492856 1372568253 /nfs/dbraw/zinc/56/82/53/1372568253.db2.gz NAIXXWARLNLEEH-RHSMWYFYSA-N 1 2 345.487 3.364 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3nc(C)oc3C)C[C@H]2C)CCCC1 ZINC001211492856 1372568258 /nfs/dbraw/zinc/56/82/58/1372568258.db2.gz NAIXXWARLNLEEH-RHSMWYFYSA-N 1 2 345.487 3.364 20 30 EGEDLO CCCCCCCCS(=O)(=O)Nc1cnc2c(c1)C[N@@H+](C)CC2 ZINC001187993530 1388207927 /nfs/dbraw/zinc/20/79/27/1388207927.db2.gz ZVXZRYKBRFRBPX-UHFFFAOYSA-N 1 2 339.505 3.172 20 30 EGEDLO CCCCCCCCS(=O)(=O)Nc1cnc2c(c1)C[N@H+](C)CC2 ZINC001187993530 1388207932 /nfs/dbraw/zinc/20/79/32/1388207932.db2.gz ZVXZRYKBRFRBPX-UHFFFAOYSA-N 1 2 339.505 3.172 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001123776877 1372585009 /nfs/dbraw/zinc/58/50/09/1372585009.db2.gz HHKFMDDIVDVORT-SJORKVTESA-N 1 2 342.487 3.409 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[C@H](CNc3cc[nH+]c(C)n3)C2)CCC1 ZINC001123866377 1372610371 /nfs/dbraw/zinc/61/03/71/1372610371.db2.gz DCTCPDNQOYZBAV-JKSUJKDBSA-N 1 2 328.460 3.228 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H](C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001126650087 1372990906 /nfs/dbraw/zinc/99/09/06/1372990906.db2.gz YOYFDMCFZXYIGC-OAHLLOKOSA-N 1 2 342.487 3.275 20 30 EGEDLO C=CC(C)(C)C(=O)NCc1ccc(CNc2cc[nH+]c(C)n2)cc1F ZINC001127801534 1373183531 /nfs/dbraw/zinc/18/35/31/1373183531.db2.gz MOXXJOFYIGVJLQ-UHFFFAOYSA-N 1 2 342.418 3.365 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H](C)C3CC3)c2C1 ZINC001128290105 1373246628 /nfs/dbraw/zinc/24/66/28/1373246628.db2.gz NSJSJSFXBYBPSS-INIZCTEOSA-N 1 2 346.519 3.331 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@@H](C)C3CC3)c2C1 ZINC001128290105 1373246633 /nfs/dbraw/zinc/24/66/33/1373246633.db2.gz NSJSJSFXBYBPSS-INIZCTEOSA-N 1 2 346.519 3.331 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)/C=C/C3CC3)c2C1 ZINC001128295448 1373248331 /nfs/dbraw/zinc/24/83/31/1373248331.db2.gz PYSPILPPZOIUTF-MDZDMXLPSA-N 1 2 342.487 3.028 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)/C=C/C3CC3)c2C1 ZINC001128295448 1373248335 /nfs/dbraw/zinc/24/83/35/1373248335.db2.gz PYSPILPPZOIUTF-MDZDMXLPSA-N 1 2 342.487 3.028 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)/C(C)=C/C)c2C1 ZINC001128300295 1373249421 /nfs/dbraw/zinc/24/94/21/1373249421.db2.gz FBGMJOZJSDYPKG-FZSIALSZSA-N 1 2 330.476 3.028 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)/C(C)=C/C)c2C1 ZINC001128300295 1373249427 /nfs/dbraw/zinc/24/94/27/1373249427.db2.gz FBGMJOZJSDYPKG-FZSIALSZSA-N 1 2 330.476 3.028 20 30 EGEDLO C/C=C(/C)C(=O)NCc1cnn2c1C[N@H+](CCCCCCC)CC2 ZINC001128321310 1373251728 /nfs/dbraw/zinc/25/17/28/1373251728.db2.gz IBSAUBAZPSLVDV-BNCCVWRVSA-N 1 2 332.492 3.252 20 30 EGEDLO C/C=C(/C)C(=O)NCc1cnn2c1C[N@@H+](CCCCCCC)CC2 ZINC001128321310 1373251730 /nfs/dbraw/zinc/25/17/30/1373251730.db2.gz IBSAUBAZPSLVDV-BNCCVWRVSA-N 1 2 332.492 3.252 20 30 EGEDLO C=C(C)CCC(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@@H]21 ZINC001218037356 1373545091 /nfs/dbraw/zinc/54/50/91/1373545091.db2.gz JTABFWFMSCZPLN-ZWKOTPCHSA-N 1 2 348.874 3.108 20 30 EGEDLO C=C(C)CCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@@H]21 ZINC001218037356 1373545097 /nfs/dbraw/zinc/54/50/97/1373545097.db2.gz JTABFWFMSCZPLN-ZWKOTPCHSA-N 1 2 348.874 3.108 20 30 EGEDLO CCCCCCCOc1ccc(O[C@@H]2CC[NH2+][C@@H]2C(=O)OC)cc1 ZINC001218345834 1373601006 /nfs/dbraw/zinc/60/10/06/1373601006.db2.gz CKOCIVMRFQSBNX-MSOLQXFVSA-N 1 2 335.444 3.318 20 30 EGEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)c3c(F)cccc3F)C[C@H]21 ZINC001221530480 1373778227 /nfs/dbraw/zinc/77/82/27/1373778227.db2.gz NAXZHLMWOFCJOC-HDMKZQKVSA-N 1 2 346.421 3.218 20 30 EGEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)c3c(F)cccc3F)C[C@H]21 ZINC001221530480 1373778233 /nfs/dbraw/zinc/77/82/33/1373778233.db2.gz NAXZHLMWOFCJOC-HDMKZQKVSA-N 1 2 346.421 3.218 20 30 EGEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)c3c(F)cccc3F)C[C@H]21 ZINC001221530481 1373778242 /nfs/dbraw/zinc/77/82/42/1373778242.db2.gz NAXZHLMWOFCJOC-IIDMSEBBSA-N 1 2 346.421 3.218 20 30 EGEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@H+]([C@H](C)c3c(F)cccc3F)C[C@H]21 ZINC001221530481 1373778249 /nfs/dbraw/zinc/77/82/49/1373778249.db2.gz NAXZHLMWOFCJOC-IIDMSEBBSA-N 1 2 346.421 3.218 20 30 EGEDLO CCCCCCCCC(=O)N1C[C@H]2CC[N@H+](Cc3ccn(C)n3)C[C@H]21 ZINC001221973684 1373810928 /nfs/dbraw/zinc/81/09/28/1373810928.db2.gz JNDBLQYDSCCJGX-IEBWSBKVSA-N 1 2 346.519 3.203 20 30 EGEDLO CCCCCCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccn(C)n3)C[C@H]21 ZINC001221973684 1373810932 /nfs/dbraw/zinc/81/09/32/1373810932.db2.gz JNDBLQYDSCCJGX-IEBWSBKVSA-N 1 2 346.519 3.203 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC001131900393 1375036741 /nfs/dbraw/zinc/03/67/41/1375036741.db2.gz XOSJRLKGKRIAFZ-IRXDYDNUSA-N 1 2 344.503 3.434 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC001131900393 1375036747 /nfs/dbraw/zinc/03/67/47/1375036747.db2.gz XOSJRLKGKRIAFZ-IRXDYDNUSA-N 1 2 344.503 3.434 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC=C(Cl)Cl)C1 ZINC001131976667 1375079910 /nfs/dbraw/zinc/07/99/10/1375079910.db2.gz NNILYTYHIVXBAR-KBPBESRZSA-N 1 2 331.287 3.468 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC=C(Cl)Cl)C1 ZINC001131976667 1375079914 /nfs/dbraw/zinc/07/99/14/1375079914.db2.gz NNILYTYHIVXBAR-KBPBESRZSA-N 1 2 331.287 3.468 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ncoc2C(C)C)C1 ZINC001132003362 1375093481 /nfs/dbraw/zinc/09/34/81/1375093481.db2.gz UIJDRAHHAWZJQT-JKSUJKDBSA-N 1 2 331.460 3.071 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001132003362 1375093485 /nfs/dbraw/zinc/09/34/85/1375093485.db2.gz UIJDRAHHAWZJQT-JKSUJKDBSA-N 1 2 331.460 3.071 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1ccccc1C#N ZINC001132033797 1375108399 /nfs/dbraw/zinc/10/83/99/1375108399.db2.gz LGADXDYGRHRTQT-VQIMIIECSA-N 1 2 337.467 3.077 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1ccccc1C#N ZINC001132033797 1375108403 /nfs/dbraw/zinc/10/84/03/1375108403.db2.gz LGADXDYGRHRTQT-VQIMIIECSA-N 1 2 337.467 3.077 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2cccc3c2CCC3=O)C1 ZINC001225618472 1375133564 /nfs/dbraw/zinc/13/35/64/1375133564.db2.gz MOIDPGSDWPZAHQ-QGZVFWFLSA-N 1 2 332.403 3.340 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2cccc3c2CCC3=O)C1 ZINC001225618472 1375133566 /nfs/dbraw/zinc/13/35/66/1375133566.db2.gz MOIDPGSDWPZAHQ-QGZVFWFLSA-N 1 2 332.403 3.340 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ncc(C)o2)C1 ZINC001132078966 1375134964 /nfs/dbraw/zinc/13/49/64/1375134964.db2.gz QNUXPGWPHBSKIC-FZMZJTMJSA-N 1 2 339.867 3.231 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ncc(C)o2)C1 ZINC001132078966 1375134966 /nfs/dbraw/zinc/13/49/66/1375134966.db2.gz QNUXPGWPHBSKIC-FZMZJTMJSA-N 1 2 339.867 3.231 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ncc(C)o2)C1 ZINC001132078968 1375135439 /nfs/dbraw/zinc/13/54/39/1375135439.db2.gz QNUXPGWPHBSKIC-SMDDNHRTSA-N 1 2 339.867 3.231 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ncc(C)o2)C1 ZINC001132078968 1375135445 /nfs/dbraw/zinc/13/54/45/1375135445.db2.gz QNUXPGWPHBSKIC-SMDDNHRTSA-N 1 2 339.867 3.231 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001132215412 1375215067 /nfs/dbraw/zinc/21/50/67/1375215067.db2.gz XFXUECSWKXEAKJ-CJNGLKHVSA-N 1 2 333.476 3.363 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001132215412 1375215070 /nfs/dbraw/zinc/21/50/70/1375215070.db2.gz XFXUECSWKXEAKJ-CJNGLKHVSA-N 1 2 333.476 3.363 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)CCCC#CC)CC[C@H]1C ZINC001132235500 1375230462 /nfs/dbraw/zinc/23/04/62/1375230462.db2.gz ONGNAAURYZYNKT-CABCVRRESA-N 1 2 341.293 3.058 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)CCCC#CC)CC[C@H]1C ZINC001132235500 1375230464 /nfs/dbraw/zinc/23/04/64/1375230464.db2.gz ONGNAAURYZYNKT-CABCVRRESA-N 1 2 341.293 3.058 20 30 EGEDLO C[C@@H](Oc1ncnc2c1CC[N@H+](Cc1ccccc1)C2)[C@H](C)S ZINC001226565130 1375283806 /nfs/dbraw/zinc/28/38/06/1375283806.db2.gz KQBGFEZQXGMFDI-KGLIPLIRSA-N 1 2 329.469 3.121 20 30 EGEDLO C[C@@H](Oc1ncnc2c1CC[N@@H+](Cc1ccccc1)C2)[C@H](C)S ZINC001226565130 1375283808 /nfs/dbraw/zinc/28/38/08/1375283808.db2.gz KQBGFEZQXGMFDI-KGLIPLIRSA-N 1 2 329.469 3.121 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCN(C)c2ccccc2)CC[C@H]1C ZINC001132365607 1375331432 /nfs/dbraw/zinc/33/14/32/1375331432.db2.gz MXMCCNWBCFZXCH-IAGOWNOFSA-N 1 2 349.906 3.235 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCN(C)c2ccccc2)CC[C@H]1C ZINC001132365607 1375331434 /nfs/dbraw/zinc/33/14/34/1375331434.db2.gz MXMCCNWBCFZXCH-IAGOWNOFSA-N 1 2 349.906 3.235 20 30 EGEDLO C#CCCCC(=O)NC1CC[NH+](Cc2nc(C(C)(C)C)cs2)CC1 ZINC001227108491 1375391467 /nfs/dbraw/zinc/39/14/67/1375391467.db2.gz RYAOOHCMXWAEIM-UHFFFAOYSA-N 1 2 347.528 3.325 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)COc2ccc(C)cc2)CC[C@@H]1C ZINC001132468005 1375408905 /nfs/dbraw/zinc/40/89/05/1375408905.db2.gz LDWGPGUZLXNRMG-JKSUJKDBSA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)COc2ccc(C)cc2)CC[C@@H]1C ZINC001132468005 1375408907 /nfs/dbraw/zinc/40/89/07/1375408907.db2.gz LDWGPGUZLXNRMG-JKSUJKDBSA-N 1 2 336.863 3.095 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2cc(Cl)cnc2F)C1 ZINC001228572322 1375602103 /nfs/dbraw/zinc/60/21/03/1375602103.db2.gz FZCSTYHQVMDJGO-HNNXBMFYSA-N 1 2 331.778 3.399 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2cc(Cl)cnc2F)C1 ZINC001228572322 1375602107 /nfs/dbraw/zinc/60/21/07/1375602107.db2.gz FZCSTYHQVMDJGO-HNNXBMFYSA-N 1 2 331.778 3.399 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC1CC[NH+](Cc2ccn(C(C)C)n2)CC1 ZINC001228795395 1375678635 /nfs/dbraw/zinc/67/86/35/1375678635.db2.gz XHJFEZBDKVHNFS-MRXNPFEDSA-N 1 2 332.492 3.147 20 30 EGEDLO CCCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001188906107 1388406908 /nfs/dbraw/zinc/40/69/08/1388406908.db2.gz MIDVJIBNXJFRHQ-GOSISDBHSA-N 1 2 331.435 3.310 20 30 EGEDLO CCCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001188906107 1388406914 /nfs/dbraw/zinc/40/69/14/1388406914.db2.gz MIDVJIBNXJFRHQ-GOSISDBHSA-N 1 2 331.435 3.310 20 30 EGEDLO C=C(Cl)C[N@H+](CCCNC(=O)CC1CCC1)Cc1cccnc1 ZINC001230722743 1376133203 /nfs/dbraw/zinc/13/32/03/1376133203.db2.gz UNCKSTQDOLRHOM-UHFFFAOYSA-N 1 2 335.879 3.333 20 30 EGEDLO C=C(Cl)C[N@@H+](CCCNC(=O)CC1CCC1)Cc1cccnc1 ZINC001230722743 1376133206 /nfs/dbraw/zinc/13/32/06/1376133206.db2.gz UNCKSTQDOLRHOM-UHFFFAOYSA-N 1 2 335.879 3.333 20 30 EGEDLO CC[C@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC001230806007 1376153773 /nfs/dbraw/zinc/15/37/73/1376153773.db2.gz BJYNLOQDTZECQI-MAUKXSAKSA-N 1 2 332.875 3.270 20 30 EGEDLO CC[C@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001230806007 1376153775 /nfs/dbraw/zinc/15/37/75/1376153775.db2.gz BJYNLOQDTZECQI-MAUKXSAKSA-N 1 2 332.875 3.270 20 30 EGEDLO CCC[C@@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001231311400 1376225704 /nfs/dbraw/zinc/22/57/04/1376225704.db2.gz IQYBMZQOPMPZOA-RHSMWYFYSA-N 1 2 331.435 3.166 20 30 EGEDLO CCC[C@@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001231311400 1376225710 /nfs/dbraw/zinc/22/57/10/1376225710.db2.gz IQYBMZQOPMPZOA-RHSMWYFYSA-N 1 2 331.435 3.166 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccc(F)cc1OC)CCO2 ZINC001231602159 1376276695 /nfs/dbraw/zinc/27/66/95/1376276695.db2.gz NVRNPNUKHGEMLD-YLJYHZDGSA-N 1 2 349.446 3.408 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1ccc(F)cc1OC)CCO2 ZINC001231602159 1376276707 /nfs/dbraw/zinc/27/67/07/1376276707.db2.gz NVRNPNUKHGEMLD-YLJYHZDGSA-N 1 2 349.446 3.408 20 30 EGEDLO C#Cc1cccc(C[N@@H+]2CCc3onc(COc4ccccn4)c3C2)c1 ZINC001231657794 1376297384 /nfs/dbraw/zinc/29/73/84/1376297384.db2.gz ULLUSXQXJXRISQ-UHFFFAOYSA-N 1 2 345.402 3.188 20 30 EGEDLO C#Cc1cccc(C[N@H+]2CCc3onc(COc4ccccn4)c3C2)c1 ZINC001231657794 1376297391 /nfs/dbraw/zinc/29/73/91/1376297391.db2.gz ULLUSXQXJXRISQ-UHFFFAOYSA-N 1 2 345.402 3.188 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)cc1Cl ZINC001232111625 1376400672 /nfs/dbraw/zinc/40/06/72/1376400672.db2.gz IKGYHAMUDSCJAH-TZMCWYRMSA-N 1 2 332.753 3.347 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)cc1Cl ZINC001232111625 1376400674 /nfs/dbraw/zinc/40/06/74/1376400674.db2.gz IKGYHAMUDSCJAH-TZMCWYRMSA-N 1 2 332.753 3.347 20 30 EGEDLO COc1ccc2c(Br)ccc(C[N@H+](C)CCC#N)c2n1 ZINC001232646802 1376494827 /nfs/dbraw/zinc/49/48/27/1376494827.db2.gz KKCZIPURPTWMHT-UHFFFAOYSA-N 1 2 334.217 3.351 20 30 EGEDLO COc1ccc2c(Br)ccc(C[N@@H+](C)CCC#N)c2n1 ZINC001232646802 1376494829 /nfs/dbraw/zinc/49/48/29/1376494829.db2.gz KKCZIPURPTWMHT-UHFFFAOYSA-N 1 2 334.217 3.351 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1CCCC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232674132 1376499561 /nfs/dbraw/zinc/49/95/61/1376499561.db2.gz RLYKABKRZMARGP-INIZCTEOSA-N 1 2 345.443 3.143 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1CCCC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232674132 1376499563 /nfs/dbraw/zinc/49/95/63/1376499563.db2.gz RLYKABKRZMARGP-INIZCTEOSA-N 1 2 345.443 3.143 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232678795 1376499849 /nfs/dbraw/zinc/49/98/49/1376499849.db2.gz QKWKYSVDAGEAMS-HNNXBMFYSA-N 1 2 345.443 3.001 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232678795 1376499852 /nfs/dbraw/zinc/49/98/52/1376499852.db2.gz QKWKYSVDAGEAMS-HNNXBMFYSA-N 1 2 345.443 3.001 20 30 EGEDLO CC(C)c1noc([C@@H]2CCC[N@H+](Cc3cc(C#N)ccc3O)C2)n1 ZINC001232679074 1376499891 /nfs/dbraw/zinc/49/98/91/1376499891.db2.gz ZMGPNTZUBOKQKT-CQSZACIVSA-N 1 2 326.400 3.150 20 30 EGEDLO CC(C)c1noc([C@@H]2CCC[N@@H+](Cc3cc(C#N)ccc3O)C2)n1 ZINC001232679074 1376499892 /nfs/dbraw/zinc/49/98/92/1376499892.db2.gz ZMGPNTZUBOKQKT-CQSZACIVSA-N 1 2 326.400 3.150 20 30 EGEDLO CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232678632 1376499942 /nfs/dbraw/zinc/49/99/42/1376499942.db2.gz KUEQPQWRXYFVEO-INIZCTEOSA-N 1 2 345.443 3.095 20 30 EGEDLO CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232678632 1376499943 /nfs/dbraw/zinc/49/99/43/1376499943.db2.gz KUEQPQWRXYFVEO-INIZCTEOSA-N 1 2 345.443 3.095 20 30 EGEDLO N#Cc1ccc(CN2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)s1 ZINC001232845290 1376524503 /nfs/dbraw/zinc/52/45/03/1376524503.db2.gz SPTVUFJCTFJXFQ-HNNXBMFYSA-N 1 2 325.428 3.315 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001232890736 1376534748 /nfs/dbraw/zinc/53/47/48/1376534748.db2.gz MKSGXAZHGDTXSD-RTBURBONSA-N 1 2 330.403 3.023 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001232890736 1376534760 /nfs/dbraw/zinc/53/47/60/1376534760.db2.gz MKSGXAZHGDTXSD-RTBURBONSA-N 1 2 330.403 3.023 20 30 EGEDLO CCCc1noc(C2CC[NH+](Cc3cc(F)ccc3C#N)CC2)n1 ZINC001232893244 1376535622 /nfs/dbraw/zinc/53/56/22/1376535622.db2.gz TXHBBULRSDTOHP-UHFFFAOYSA-N 1 2 328.391 3.412 20 30 EGEDLO Cc1ccc(C[NH+]2CCN(c3ccc(F)c(F)c3)CC2)c(C#N)c1 ZINC001232963202 1376548616 /nfs/dbraw/zinc/54/86/16/1376548616.db2.gz ZIMANKXKFOKVNT-UHFFFAOYSA-N 1 2 327.378 3.467 20 30 EGEDLO COc1ccc(C[N@@H+]2CCC[C@H](C#N)CC2)c(Br)c1O ZINC001233205223 1376585755 /nfs/dbraw/zinc/58/57/55/1376585755.db2.gz NALZYBJAFNPQGC-NSHDSACASA-N 1 2 339.233 3.289 20 30 EGEDLO COc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)c(Br)c1O ZINC001233205223 1376585760 /nfs/dbraw/zinc/58/57/60/1376585760.db2.gz NALZYBJAFNPQGC-NSHDSACASA-N 1 2 339.233 3.289 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(F)(F)C(F)F ZINC001134639020 1376637104 /nfs/dbraw/zinc/63/71/04/1376637104.db2.gz WWDDMVWYJCRSMM-RYUDHWBXSA-N 1 2 349.372 3.061 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1)C(=O)/C=C\C1CC1 ZINC001233502983 1376657358 /nfs/dbraw/zinc/65/73/58/1376657358.db2.gz UZCQDKUGCPELJH-SCEWNMGZSA-N 1 2 342.870 3.190 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1)C(=O)/C=C\C1CC1 ZINC001233502983 1376657363 /nfs/dbraw/zinc/65/73/63/1376657363.db2.gz UZCQDKUGCPELJH-SCEWNMGZSA-N 1 2 342.870 3.190 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1c(Cl)cccc1OC ZINC001233946974 1376740573 /nfs/dbraw/zinc/74/05/73/1376740573.db2.gz GRIXSSAWCVUVOL-HNNXBMFYSA-N 1 2 348.874 3.185 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1c(Cl)cccc1OC ZINC001233946974 1376740577 /nfs/dbraw/zinc/74/05/77/1376740577.db2.gz GRIXSSAWCVUVOL-HNNXBMFYSA-N 1 2 348.874 3.185 20 30 EGEDLO COc1cccc(C[N@@H+]2CC[C@H]2CN(C)C(=O)C#CC(C)C)c1Cl ZINC001234163360 1376782022 /nfs/dbraw/zinc/78/20/22/1376782022.db2.gz YTFOXTBICFPNQU-INIZCTEOSA-N 1 2 348.874 3.041 20 30 EGEDLO COc1cccc(C[N@H+]2CC[C@H]2CN(C)C(=O)C#CC(C)C)c1Cl ZINC001234163360 1376782025 /nfs/dbraw/zinc/78/20/25/1376782025.db2.gz YTFOXTBICFPNQU-INIZCTEOSA-N 1 2 348.874 3.041 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(F)(F)C(F)F ZINC001135194394 1376965971 /nfs/dbraw/zinc/96/59/71/1376965971.db2.gz UWSLXNNCXJYLGR-STQMWFEESA-N 1 2 338.389 3.343 20 30 EGEDLO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1=S ZINC001261656067 1377125774 /nfs/dbraw/zinc/12/57/74/1377125774.db2.gz OERSZRWBTYOHLT-JKSUJKDBSA-N 1 2 336.505 3.147 20 30 EGEDLO C=CCn1c(C)nn(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1=S ZINC001261656067 1377125775 /nfs/dbraw/zinc/12/57/75/1377125775.db2.gz OERSZRWBTYOHLT-JKSUJKDBSA-N 1 2 336.505 3.147 20 30 EGEDLO N#C[C@H]1CCC[N@@H+](Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC001136847320 1377429910 /nfs/dbraw/zinc/42/99/10/1377429910.db2.gz USJTVBVASYKSEC-NSHDSACASA-N 1 2 337.217 3.303 20 30 EGEDLO N#C[C@H]1CCC[N@H+](Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC001136847320 1377429913 /nfs/dbraw/zinc/42/99/13/1377429913.db2.gz USJTVBVASYKSEC-NSHDSACASA-N 1 2 337.217 3.303 20 30 EGEDLO COc1nc2ccccc2cc1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001137202217 1377495998 /nfs/dbraw/zinc/49/59/98/1377495998.db2.gz BYUYOWUZPDPIGR-INIZCTEOSA-N 1 2 326.421 3.018 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC001138912042 1377802738 /nfs/dbraw/zinc/80/27/38/1377802738.db2.gz WDZDDARXWZTJSV-AWEZNQCLSA-N 1 2 340.370 3.165 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC001138912042 1377802739 /nfs/dbraw/zinc/80/27/39/1377802739.db2.gz WDZDDARXWZTJSV-AWEZNQCLSA-N 1 2 340.370 3.165 20 30 EGEDLO CC(C)(C)OC(=O)NC1CC2(C1)C[NH+](Cc1ccc(C#N)c(F)c1)C2 ZINC001139529249 1377897677 /nfs/dbraw/zinc/89/76/77/1377897677.db2.gz NABJORAHKUECDC-UHFFFAOYSA-N 1 2 345.418 3.186 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCn3cnc(Cn4cccc4)c3C2)cc1F ZINC001139528332 1377898490 /nfs/dbraw/zinc/89/84/90/1377898490.db2.gz NRZPMCPBSDKFEO-UHFFFAOYSA-N 1 2 349.413 3.150 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCn3cnc(Cn4cccc4)c3C2)cc1F ZINC001139528332 1377898494 /nfs/dbraw/zinc/89/84/94/1377898494.db2.gz NRZPMCPBSDKFEO-UHFFFAOYSA-N 1 2 349.413 3.150 20 30 EGEDLO COc1ccnc(O[C@H]2CC[N@H+](Cc3cccc(Cl)c3C#N)C2)c1 ZINC001139692852 1377936351 /nfs/dbraw/zinc/93/63/51/1377936351.db2.gz MEKIRDQBRLDRDQ-HNNXBMFYSA-N 1 2 343.814 3.269 20 30 EGEDLO COc1ccnc(O[C@H]2CC[N@@H+](Cc3cccc(Cl)c3C#N)C2)c1 ZINC001139692852 1377936352 /nfs/dbraw/zinc/93/63/52/1377936352.db2.gz MEKIRDQBRLDRDQ-HNNXBMFYSA-N 1 2 343.814 3.269 20 30 EGEDLO C=CCn1cc(C[N@H+]2CCSC[C@@H]2c2ccc(OC)cc2)cn1 ZINC001139770545 1377948986 /nfs/dbraw/zinc/94/89/86/1377948986.db2.gz RGYUJDFSYWTIFV-GOSISDBHSA-N 1 2 329.469 3.368 20 30 EGEDLO C=CCn1cc(C[N@@H+]2CCSC[C@@H]2c2ccc(OC)cc2)cn1 ZINC001139770545 1377948989 /nfs/dbraw/zinc/94/89/89/1377948989.db2.gz RGYUJDFSYWTIFV-GOSISDBHSA-N 1 2 329.469 3.368 20 30 EGEDLO C=CCn1cc(C[NH+]2CCN(c3nc4ccccc4s3)CC2)cn1 ZINC001139770663 1377949243 /nfs/dbraw/zinc/94/92/43/1377949243.db2.gz VZMRWPNZJFEEHG-UHFFFAOYSA-N 1 2 339.468 3.001 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(O)cc3Cl)CC2)cc1 ZINC001140085372 1378004261 /nfs/dbraw/zinc/00/42/61/1378004261.db2.gz MBIDUEBMQAXGIE-UHFFFAOYSA-N 1 2 327.815 3.239 20 30 EGEDLO CCn1cc2c(n1)C[N@@H+](Cc1c[nH]c3ccc(C#N)cc13)C[C@@H]2COC ZINC001140111698 1378010348 /nfs/dbraw/zinc/01/03/48/1378010348.db2.gz CVBIITZKDOZEPX-MRXNPFEDSA-N 1 2 349.438 3.002 20 30 EGEDLO CCn1cc2c(n1)C[N@H+](Cc1c[nH]c3ccc(C#N)cc13)C[C@@H]2COC ZINC001140111698 1378010350 /nfs/dbraw/zinc/01/03/50/1378010350.db2.gz CVBIITZKDOZEPX-MRXNPFEDSA-N 1 2 349.438 3.002 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3noc4ccccc43)CC2)c(F)c1 ZINC001140135290 1378016782 /nfs/dbraw/zinc/01/67/82/1378016782.db2.gz ZSXIXZPONKTPRR-UHFFFAOYSA-N 1 2 336.370 3.161 20 30 EGEDLO COc1ccc(N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)c(C)c1 ZINC001140139625 1378018263 /nfs/dbraw/zinc/01/82/63/1378018263.db2.gz FZVJBZLGXSDMIM-UHFFFAOYSA-N 1 2 339.414 3.337 20 30 EGEDLO C=CC[N@H+](Cc1ccccc1)Cc1nc(Br)cnc1N ZINC001140263084 1378037383 /nfs/dbraw/zinc/03/73/83/1378037383.db2.gz MSKAFDRRGGYYCG-UHFFFAOYSA-N 1 2 333.233 3.010 20 30 EGEDLO C=CC[N@@H+](Cc1ccccc1)Cc1nc(Br)cnc1N ZINC001140263084 1378037385 /nfs/dbraw/zinc/03/73/85/1378037385.db2.gz MSKAFDRRGGYYCG-UHFFFAOYSA-N 1 2 333.233 3.010 20 30 EGEDLO CCc1nnc(C2CC[NH+](Cc3cc(F)c(C#N)c(F)c3)CC2)o1 ZINC001140754638 1378130838 /nfs/dbraw/zinc/13/08/38/1378130838.db2.gz FTDRNJSEPFUPFO-UHFFFAOYSA-N 1 2 332.354 3.161 20 30 EGEDLO COc1cccc(C[N@H+](C)Cc2cc(F)c(C#N)c(F)c2)c1OC ZINC001140756315 1378131153 /nfs/dbraw/zinc/13/11/53/1378131153.db2.gz JUKSOQIVWNSCIS-UHFFFAOYSA-N 1 2 332.350 3.486 20 30 EGEDLO COc1cccc(C[N@@H+](C)Cc2cc(F)c(C#N)c(F)c2)c1OC ZINC001140756315 1378131155 /nfs/dbraw/zinc/13/11/55/1378131155.db2.gz JUKSOQIVWNSCIS-UHFFFAOYSA-N 1 2 332.350 3.486 20 30 EGEDLO Cc1cccnc1O[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC001141167700 1378257692 /nfs/dbraw/zinc/25/76/92/1378257692.db2.gz VQGLDRMWAGFAAR-GOSISDBHSA-N 1 2 325.387 3.444 20 30 EGEDLO Cc1cccnc1O[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC001141167700 1378257698 /nfs/dbraw/zinc/25/76/98/1378257698.db2.gz VQGLDRMWAGFAAR-GOSISDBHSA-N 1 2 325.387 3.444 20 30 EGEDLO N#C[C@@H](NC(=O)/C=C/c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC001142368257 1378437406 /nfs/dbraw/zinc/43/74/06/1378437406.db2.gz OVEXUJUUZIQPPN-CTDFXDFQSA-N 1 2 342.402 3.326 20 30 EGEDLO Cc1cc[nH+]c(N2CCN(Cc3c(Cl)cccc3C#N)CC2)c1 ZINC001143726104 1378639278 /nfs/dbraw/zinc/63/92/78/1378639278.db2.gz GHVWXCQUIKIBKZ-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO COc1ccc(O[C@H]2CC[N@H+](Cc3c(Cl)cccc3C#N)C2)nc1 ZINC001143732939 1378639983 /nfs/dbraw/zinc/63/99/83/1378639983.db2.gz YUKGDKWOHVZDQK-HNNXBMFYSA-N 1 2 343.814 3.269 20 30 EGEDLO COc1ccc(O[C@H]2CC[N@@H+](Cc3c(Cl)cccc3C#N)C2)nc1 ZINC001143732939 1378639987 /nfs/dbraw/zinc/63/99/87/1378639987.db2.gz YUKGDKWOHVZDQK-HNNXBMFYSA-N 1 2 343.814 3.269 20 30 EGEDLO Cc1ccc(Cl)cc1N1CC[NH+](Cc2cncc(C#N)c2)CC1 ZINC001144073965 1378679775 /nfs/dbraw/zinc/67/97/75/1378679775.db2.gz QOKZBMIQBDLVSO-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO C#Cc1ccc(C[NH+]2CC3(C2)CCCN3C(=O)OC(C)(C)C)cc1 ZINC001144568074 1378745753 /nfs/dbraw/zinc/74/57/53/1378745753.db2.gz JYKFHPPDPNIBFG-UHFFFAOYSA-N 1 2 326.440 3.253 20 30 EGEDLO C#Cc1ccc(C[N@@H+]2CCc3onc(COc4cccnc4)c3C2)cc1 ZINC001144571655 1378745875 /nfs/dbraw/zinc/74/58/75/1378745875.db2.gz DDTATFBICPKAGG-UHFFFAOYSA-N 1 2 345.402 3.188 20 30 EGEDLO C#Cc1ccc(C[N@H+]2CCc3onc(COc4cccnc4)c3C2)cc1 ZINC001144571655 1378745879 /nfs/dbraw/zinc/74/58/79/1378745879.db2.gz DDTATFBICPKAGG-UHFFFAOYSA-N 1 2 345.402 3.188 20 30 EGEDLO C#CCCCCCC(=O)N1CC2(C1)CC[N@@H+](C/C(Cl)=C/Cl)C2 ZINC001148059533 1379110647 /nfs/dbraw/zinc/11/06/47/1379110647.db2.gz BFYJKLAPPZMSSF-GDNBJRDFSA-N 1 2 343.298 3.423 20 30 EGEDLO C#CCCCCCC(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C/Cl)C2 ZINC001148059533 1379110652 /nfs/dbraw/zinc/11/06/52/1379110652.db2.gz BFYJKLAPPZMSSF-GDNBJRDFSA-N 1 2 343.298 3.423 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C3CC3)o1)C2 ZINC001148087775 1379114735 /nfs/dbraw/zinc/11/47/35/1379114735.db2.gz GHPYEGWOMZDUQK-GJZGRUSLSA-N 1 2 343.471 3.045 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C3CC3)o1)C2 ZINC001148087775 1379114739 /nfs/dbraw/zinc/11/47/39/1379114739.db2.gz GHPYEGWOMZDUQK-GJZGRUSLSA-N 1 2 343.471 3.045 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1csc(CC)n1)C2 ZINC001148096223 1379116733 /nfs/dbraw/zinc/11/67/33/1379116733.db2.gz YCEQIYFVMPDVFS-CABCVRRESA-N 1 2 347.528 3.198 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1csc(CC)n1)C2 ZINC001148096223 1379116737 /nfs/dbraw/zinc/11/67/37/1379116737.db2.gz YCEQIYFVMPDVFS-CABCVRRESA-N 1 2 347.528 3.198 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@H+](Cc1coc(C3CC3)n1)C2 ZINC001148126487 1379121754 /nfs/dbraw/zinc/12/17/54/1379121754.db2.gz YHPPQCPYEVNBMY-OAHLLOKOSA-N 1 2 343.471 3.189 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](Cc1coc(C3CC3)n1)C2 ZINC001148126487 1379121756 /nfs/dbraw/zinc/12/17/56/1379121756.db2.gz YHPPQCPYEVNBMY-OAHLLOKOSA-N 1 2 343.471 3.189 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)[C@@H](C)[C@H](C)CC)C2)C1 ZINC001148501824 1379194839 /nfs/dbraw/zinc/19/48/39/1379194839.db2.gz UBMQVQRHNGNWGK-OCCSQVGLSA-N 1 2 343.309 3.112 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C)[C@H](C)CC)C2)C1 ZINC001148501824 1379194843 /nfs/dbraw/zinc/19/48/43/1379194843.db2.gz UBMQVQRHNGNWGK-OCCSQVGLSA-N 1 2 343.309 3.112 20 30 EGEDLO C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c1 ZINC001148616686 1379226594 /nfs/dbraw/zinc/22/65/94/1379226594.db2.gz ABGLSHKZTJZKFB-PBHICJAKSA-N 1 2 347.409 3.259 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(C(F)(F)F)CCC2)[C@@H]1C ZINC001284127418 1379503144 /nfs/dbraw/zinc/50/31/44/1379503144.db2.gz AOSSRCOSWXFSEM-NWDGAFQWSA-N 1 2 338.801 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(C(F)(F)F)CCC2)[C@@H]1C ZINC001284127418 1379503148 /nfs/dbraw/zinc/50/31/48/1379503148.db2.gz AOSSRCOSWXFSEM-NWDGAFQWSA-N 1 2 338.801 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C)CC2CCCC2)C1 ZINC001150402736 1379546508 /nfs/dbraw/zinc/54/65/08/1379546508.db2.gz FDSJFKAVEFMHOQ-RHSMWYFYSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H](C)CC2CCCC2)C1 ZINC001150402736 1379546513 /nfs/dbraw/zinc/54/65/13/1379546513.db2.gz FDSJFKAVEFMHOQ-RHSMWYFYSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@H]1C=CCC1 ZINC001151801309 1379783412 /nfs/dbraw/zinc/78/34/12/1379783412.db2.gz OLGJBXHBBMMDHG-KGLIPLIRSA-N 1 2 329.282 3.078 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C[C@H]1C=CCC1 ZINC001151801309 1379783414 /nfs/dbraw/zinc/78/34/14/1379783414.db2.gz OLGJBXHBBMMDHG-KGLIPLIRSA-N 1 2 329.282 3.078 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1coc(C)n1 ZINC001153587929 1380098993 /nfs/dbraw/zinc/09/89/93/1380098993.db2.gz CUUBEESXGGOKHI-LLVKDONJSA-N 1 2 327.856 3.088 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1coc(C)n1 ZINC001153587929 1380098994 /nfs/dbraw/zinc/09/89/94/1380098994.db2.gz CUUBEESXGGOKHI-LLVKDONJSA-N 1 2 327.856 3.088 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1noc2c1CCCC2 ZINC001153593286 1380099843 /nfs/dbraw/zinc/09/98/43/1380099843.db2.gz BPXKKFOXFYFDMS-OAHLLOKOSA-N 1 2 347.503 3.482 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1noc2c1CCCC2 ZINC001153593286 1380099848 /nfs/dbraw/zinc/09/98/48/1380099848.db2.gz BPXKKFOXFYFDMS-OAHLLOKOSA-N 1 2 347.503 3.482 20 30 EGEDLO C=CCC1(C(=O)NCC[NH2+]Cc2ncc(C(C)(C)C)o2)CCCC1 ZINC001153809665 1380133576 /nfs/dbraw/zinc/13/35/76/1380133576.db2.gz VDALNRIMFYVVHB-UHFFFAOYSA-N 1 2 333.476 3.314 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H]1C=CCCC1 ZINC001153995108 1380174588 /nfs/dbraw/zinc/17/45/88/1380174588.db2.gz SSFOVGOZASDAMP-HUUCEWRRSA-N 1 2 343.309 3.468 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C[C@@H]1C=CCCC1 ZINC001153995108 1380174591 /nfs/dbraw/zinc/17/45/91/1380174591.db2.gz SSFOVGOZASDAMP-HUUCEWRRSA-N 1 2 343.309 3.468 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)CCC(F)F ZINC001154332279 1380257470 /nfs/dbraw/zinc/25/74/70/1380257470.db2.gz PBXWPOQPLLBZOG-GFCCVEGCSA-N 1 2 341.377 3.069 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)CCC(F)F ZINC001154332279 1380257473 /nfs/dbraw/zinc/25/74/73/1380257473.db2.gz PBXWPOQPLLBZOG-GFCCVEGCSA-N 1 2 341.377 3.069 20 30 EGEDLO N#Cc1cccc(C(F)(F)F)c1NC(=O)c1cccc2[nH+]ccn21 ZINC001154524031 1380297204 /nfs/dbraw/zinc/29/72/04/1380297204.db2.gz ORYHZEMIPIWVKV-UHFFFAOYSA-N 1 2 330.269 3.477 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@]1(C)C=CCC1 ZINC001154683229 1380331318 /nfs/dbraw/zinc/33/13/18/1380331318.db2.gz TYYPNXSRLZBTGD-FOIQADDNSA-N 1 2 343.446 3.380 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@]1(C)C=CCC1 ZINC001154683229 1380331319 /nfs/dbraw/zinc/33/13/19/1380331319.db2.gz TYYPNXSRLZBTGD-FOIQADDNSA-N 1 2 343.446 3.380 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1csnc1OC ZINC001154742445 1380343923 /nfs/dbraw/zinc/34/39/23/1380343923.db2.gz GUJHVBNFLVGAEB-UONOGXRCSA-N 1 2 339.505 3.081 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1csnc1OC ZINC001154742445 1380343924 /nfs/dbraw/zinc/34/39/24/1380343924.db2.gz GUJHVBNFLVGAEB-UONOGXRCSA-N 1 2 339.505 3.081 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C1(CCC)CC1 ZINC001155085175 1380405213 /nfs/dbraw/zinc/40/52/13/1380405213.db2.gz JYKZYMQTSGYIBX-CYBMUJFWSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C1(CCC)CC1 ZINC001155085175 1380405214 /nfs/dbraw/zinc/40/52/14/1380405214.db2.gz JYKZYMQTSGYIBX-CYBMUJFWSA-N 1 2 331.298 3.302 20 30 EGEDLO N#Cc1c(Cl)c2ccc(F)cc2nc1NCc1cc[nH+]c(N)c1 ZINC001156764099 1380629423 /nfs/dbraw/zinc/62/94/23/1380629423.db2.gz SAMOEVVQEXMWGK-UHFFFAOYSA-N 1 2 327.750 3.488 20 30 EGEDLO C#CCCCC(=O)NC[C@H]1CCCCC[N@@H+]1C/C(Cl)=C/Cl ZINC001755364336 1440833660 /nfs/dbraw/zinc/83/36/60/1440833660.db2.gz SVNSZGFLJMTABT-QKXCFHHRSA-N 1 2 331.287 3.470 20 30 EGEDLO Cc1cnc([C@H](C)[N@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)(C)C)o1 ZINC001157965251 1381084676 /nfs/dbraw/zinc/08/46/76/1381084676.db2.gz VXTQNFWUOCBRCT-DLBZAZTESA-N 1 2 345.487 3.406 20 30 EGEDLO Cc1cnc([C@H](C)[N@@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)(C)C)o1 ZINC001157965251 1381084679 /nfs/dbraw/zinc/08/46/79/1381084679.db2.gz VXTQNFWUOCBRCT-DLBZAZTESA-N 1 2 345.487 3.406 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccn(CC)n1 ZINC001158011810 1381102805 /nfs/dbraw/zinc/10/28/05/1381102805.db2.gz QGRMIYIHSTTZER-GOSISDBHSA-N 1 2 332.492 3.072 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccn(CC)n1 ZINC001158011810 1381102810 /nfs/dbraw/zinc/10/28/10/1381102810.db2.gz QGRMIYIHSTTZER-GOSISDBHSA-N 1 2 332.492 3.072 20 30 EGEDLO CN(C)c1cccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)[nH+]1 ZINC001158185665 1381150767 /nfs/dbraw/zinc/15/07/67/1381150767.db2.gz ZDPLDHUCYOBKGM-UHFFFAOYSA-N 1 2 327.771 3.089 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](F)C(C)C ZINC001158342128 1381208243 /nfs/dbraw/zinc/20/82/43/1381208243.db2.gz XOHNALCEGXTRLX-KGLIPLIRSA-N 1 2 349.288 3.202 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](F)C(C)C ZINC001158342128 1381208246 /nfs/dbraw/zinc/20/82/46/1381208246.db2.gz XOHNALCEGXTRLX-KGLIPLIRSA-N 1 2 349.288 3.202 20 30 EGEDLO C=CCCC(=O)NCCC1=CC[N@H+](Cc2csc(CC)n2)CC1 ZINC001159538762 1381821763 /nfs/dbraw/zinc/82/17/63/1381821763.db2.gz KXDCUOFWHONZCY-UHFFFAOYSA-N 1 2 333.501 3.310 20 30 EGEDLO C=CCCC(=O)NCCC1=CC[N@@H+](Cc2csc(CC)n2)CC1 ZINC001159538762 1381821766 /nfs/dbraw/zinc/82/17/66/1381821766.db2.gz KXDCUOFWHONZCY-UHFFFAOYSA-N 1 2 333.501 3.310 20 30 EGEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1cc(SCc2ccccc2)cc[nH+]1 ZINC001160176010 1382024806 /nfs/dbraw/zinc/02/48/06/1382024806.db2.gz CBWXOPKZZFJXHB-LRDDRELGSA-N 1 2 329.425 3.022 20 30 EGEDLO N#Cc1ccc2cc[nH+]c(NCc3ccc(-n4cccn4)nc3)c2c1 ZINC001160231501 1382041691 /nfs/dbraw/zinc/04/16/91/1382041691.db2.gz CQALIFLTASRJFE-UHFFFAOYSA-N 1 2 326.363 3.299 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2cscn2)CC1 ZINC001160940297 1382243926 /nfs/dbraw/zinc/24/39/26/1382243926.db2.gz BHZDDHRAWONZJW-CABCVRRESA-N 1 2 333.501 3.240 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2cscn2)CC1 ZINC001160940297 1382243932 /nfs/dbraw/zinc/24/39/32/1382243932.db2.gz BHZDDHRAWONZJW-CABCVRRESA-N 1 2 333.501 3.240 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@H+](Cc2cscn2)CC1 ZINC001160990657 1382263408 /nfs/dbraw/zinc/26/34/08/1382263408.db2.gz FIWAIYVXOAUJJU-OAHLLOKOSA-N 1 2 333.501 3.384 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@@H+](Cc2cscn2)CC1 ZINC001160990657 1382263410 /nfs/dbraw/zinc/26/34/10/1382263410.db2.gz FIWAIYVXOAUJJU-OAHLLOKOSA-N 1 2 333.501 3.384 20 30 EGEDLO C#CC1(Nc2cc(-c3cc4c([nH]3)CCNC4=O)cc[nH+]2)CCCCC1 ZINC001162478659 1382769396 /nfs/dbraw/zinc/76/93/96/1382769396.db2.gz PCZCNSNQGPYCHA-UHFFFAOYSA-N 1 2 334.423 3.111 20 30 EGEDLO N#Cc1ccc2cc[nH+]c(NC3CCN(C(=O)C(F)(F)F)CC3)c2c1 ZINC001163031317 1382951984 /nfs/dbraw/zinc/95/19/84/1382951984.db2.gz RIDBDBHPWKNSGF-UHFFFAOYSA-N 1 2 348.328 3.072 20 30 EGEDLO COC(=O)c1ccc(NC(=[NH2+])C23CC4CC(CC(C4)C2)C3)c(C#N)n1 ZINC001163848097 1383128893 /nfs/dbraw/zinc/12/88/93/1383128893.db2.gz LBSXVBZHTRFAHD-UHFFFAOYSA-N 1 2 338.411 3.345 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC[NH2+]Cc1noc(C2CCCCC2)n1 ZINC001164346935 1383179430 /nfs/dbraw/zinc/17/94/30/1383179430.db2.gz YLDSZQINJQKIRH-OAHLLOKOSA-N 1 2 348.491 3.316 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)CC ZINC001328766484 1388853453 /nfs/dbraw/zinc/85/34/53/1388853453.db2.gz XKRRPAJCRDCOPP-CYBMUJFWSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)CC ZINC001328766484 1388853456 /nfs/dbraw/zinc/85/34/56/1388853456.db2.gz XKRRPAJCRDCOPP-CYBMUJFWSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCC1(C[NH2+]CC(F)(F)C(F)F)CC1 ZINC001166703681 1383463495 /nfs/dbraw/zinc/46/34/95/1383463495.db2.gz IVOMWOQJIKPSJM-VXGBXAGGSA-N 1 2 338.389 3.221 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1(C[NH2+]Cc2noc(CCC)n2)CC1 ZINC001166745807 1383469866 /nfs/dbraw/zinc/46/98/66/1383469866.db2.gz BTEWLTHSLAJKQZ-OAHLLOKOSA-N 1 2 348.491 3.001 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1(C[NH2+]CC(F)(F)C(F)F)CC1 ZINC001166770202 1383475566 /nfs/dbraw/zinc/47/55/66/1383475566.db2.gz NLNZWQNBANJTPQ-LBPRGKRZSA-N 1 2 338.389 3.365 20 30 EGEDLO COC(=O)Cc1c[nH]c2[nH+]ccc(N[C@@H](C)c3cccc(C#N)c3)c12 ZINC001167709352 1383719059 /nfs/dbraw/zinc/71/90/59/1383719059.db2.gz MTTNKRQIXDJMGQ-LBPRGKRZSA-N 1 2 334.379 3.323 20 30 EGEDLO N#CC1(c2cc[nH+]c(NCCc3ccc(Br)cn3)c2)CC1 ZINC001168305313 1383868209 /nfs/dbraw/zinc/86/82/09/1383868209.db2.gz AGESCFWPUMLDGW-UHFFFAOYSA-N 1 2 343.228 3.449 20 30 EGEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(C#N)cc2)cc1Cl ZINC001307849394 1384043105 /nfs/dbraw/zinc/04/31/05/1384043105.db2.gz HPLMTRSXOMNPKW-UHFFFAOYSA-N 1 2 343.814 3.291 20 30 EGEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)cc1Cl ZINC001307849394 1384043108 /nfs/dbraw/zinc/04/31/08/1384043108.db2.gz HPLMTRSXOMNPKW-UHFFFAOYSA-N 1 2 343.814 3.291 20 30 EGEDLO C[C@]1(CO)CC(F)(F)C[N@@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170378646 1384303407 /nfs/dbraw/zinc/30/34/07/1384303407.db2.gz HIKOKWDWQAKGIR-LXPRWKDFSA-N 1 2 334.410 3.483 20 30 EGEDLO C[C@]1(CO)CC(F)(F)C[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170378646 1384303409 /nfs/dbraw/zinc/30/34/09/1384303409.db2.gz HIKOKWDWQAKGIR-LXPRWKDFSA-N 1 2 334.410 3.483 20 30 EGEDLO C[C@@H](CCCC[NH2+]CCC(F)(F)F)NC(=O)C(F)C(F)(F)F ZINC001170906727 1384408407 /nfs/dbraw/zinc/40/84/07/1384408407.db2.gz CPGDKUSLBYUXFI-IUCAKERBSA-N 1 2 340.283 3.104 20 30 EGEDLO C[C@@H](CCCC[NH2+]CCC(F)(F)F)NC(=O)[C@H](F)C(F)(F)F ZINC001170906727 1384408410 /nfs/dbraw/zinc/40/84/10/1384408410.db2.gz CPGDKUSLBYUXFI-IUCAKERBSA-N 1 2 340.283 3.104 20 30 EGEDLO CSCC[C@H]([NH2+][C@@H](C)Cc1ccc(C#N)cc1)C(=O)OC(C)C ZINC001172297492 1384763309 /nfs/dbraw/zinc/76/33/09/1384763309.db2.gz FMBDTYMSKQXVJE-YOEHRIQHSA-N 1 2 334.485 3.152 20 30 EGEDLO CCCCCCC[C@H](CC)[NH2+][C@@H](CC(N)=O)C(=O)OC(C)(C)C ZINC001172346149 1384774642 /nfs/dbraw/zinc/77/46/42/1384774642.db2.gz GKQBJHPTGBFKRY-GJZGRUSLSA-N 1 2 328.497 3.301 20 30 EGEDLO C=CCOC(=O)CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)C(=O)OCC=C ZINC001172364955 1384777740 /nfs/dbraw/zinc/77/77/40/1384777740.db2.gz BGUFBZGDWFCAIL-VQHPVUNQSA-N 1 2 337.460 3.008 20 30 EGEDLO CCCCCCC[C@H](CCC)[N@@H+]1CCN(C(C)=O)C[C@H]1C(=O)OC ZINC001172510436 1384807586 /nfs/dbraw/zinc/80/75/86/1384807586.db2.gz BYVQBAJFVJHBIU-ROUUACIJSA-N 1 2 340.508 3.221 20 30 EGEDLO CCCCCCC[C@H](CCC)[N@H+]1CCN(C(C)=O)C[C@H]1C(=O)OC ZINC001172510436 1384807588 /nfs/dbraw/zinc/80/75/88/1384807588.db2.gz BYVQBAJFVJHBIU-ROUUACIJSA-N 1 2 340.508 3.221 20 30 EGEDLO C[C@H](C#N)[N@H+](C)[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172535470 1384809072 /nfs/dbraw/zinc/80/90/72/1384809072.db2.gz JZCLDJDQBHDJOD-XGXHKWSGSA-N 1 2 325.456 3.161 20 30 EGEDLO C[C@H](C#N)[N@@H+](C)[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172535470 1384809075 /nfs/dbraw/zinc/80/90/75/1384809075.db2.gz JZCLDJDQBHDJOD-XGXHKWSGSA-N 1 2 325.456 3.161 20 30 EGEDLO C=CCOC(=O)N1CC[NH+]([C@@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC001172870724 1384869163 /nfs/dbraw/zinc/86/91/63/1384869163.db2.gz CAKFGLAZZQZTAY-ZDUSSCGKSA-N 1 2 340.826 3.350 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001317943566 1385579181 /nfs/dbraw/zinc/57/91/81/1385579181.db2.gz NRNAZBBAOGHNJQ-GOEBONIOSA-N 1 2 335.879 3.418 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001317943566 1385579185 /nfs/dbraw/zinc/57/91/85/1385579185.db2.gz NRNAZBBAOGHNJQ-GOEBONIOSA-N 1 2 335.879 3.418 20 30 EGEDLO N#CCc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)cc1 ZINC001318314411 1385649710 /nfs/dbraw/zinc/64/97/10/1385649710.db2.gz YAKFXNIPQIUCSW-LJQANCHMSA-N 1 2 334.423 3.141 20 30 EGEDLO N#CCc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)cc1 ZINC001318314411 1385649713 /nfs/dbraw/zinc/64/97/13/1385649713.db2.gz YAKFXNIPQIUCSW-LJQANCHMSA-N 1 2 334.423 3.141 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2nc(C(C)(C)C)no2)[C@@H]1C ZINC001179384735 1386469819 /nfs/dbraw/zinc/46/98/19/1386469819.db2.gz VLOGOYHOSCXOAG-ILXRZTDVSA-N 1 2 348.491 3.048 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@H]([NH2+]Cc2nc(C)no2)[C@@H]1C ZINC001179994599 1386663354 /nfs/dbraw/zinc/66/33/54/1386663354.db2.gz UFSHBYSFWXDFGI-HOCLYGCPSA-N 1 2 336.480 3.208 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC001181824982 1387061289 /nfs/dbraw/zinc/06/12/89/1387061289.db2.gz IQZYZDKXLIWGHX-NRFANRHFSA-N 1 2 334.463 3.343 20 30 EGEDLO Cc1cccn2cc(Cc3nnc(COc4ccc(C#N)cc4)o3)[nH+]c12 ZINC001322128475 1387066027 /nfs/dbraw/zinc/06/60/27/1387066027.db2.gz UKZFYXRZAWETDV-UHFFFAOYSA-N 1 2 345.362 3.067 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cnc(CC(C)C)s1 ZINC001329627085 1389191811 /nfs/dbraw/zinc/19/18/11/1389191811.db2.gz DBNNYPZFAVSUOS-GFCCVEGCSA-N 1 2 329.897 3.144 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cnc(CC(C)C)s1 ZINC001329627085 1389191812 /nfs/dbraw/zinc/19/18/12/1389191812.db2.gz DBNNYPZFAVSUOS-GFCCVEGCSA-N 1 2 329.897 3.144 20 30 EGEDLO CC(C)(C)c1cn(CC(=O)Nc2ccccc2SCC#N)c[nH+]1 ZINC001330324034 1389388835 /nfs/dbraw/zinc/38/88/35/1389388835.db2.gz ODMNLMWTAIHFEQ-UHFFFAOYSA-N 1 2 328.441 3.435 20 30 EGEDLO C=CCn1cnn(C[N@H+]2Cc3ccccc3N3CCC[C@@H]3C2)c1=S ZINC001331068082 1389618174 /nfs/dbraw/zinc/61/81/74/1389618174.db2.gz VWKPFBRYJOQMSY-MRXNPFEDSA-N 1 2 341.484 3.042 20 30 EGEDLO C=CCn1cnn(C[N@@H+]2Cc3ccccc3N3CCC[C@@H]3C2)c1=S ZINC001331068082 1389618177 /nfs/dbraw/zinc/61/81/77/1389618177.db2.gz VWKPFBRYJOQMSY-MRXNPFEDSA-N 1 2 341.484 3.042 20 30 EGEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC(C)(F)CC1 ZINC001342979107 1390680186 /nfs/dbraw/zinc/68/01/86/1390680186.db2.gz OVTYHAATQYHGJP-UHFFFAOYSA-N 1 2 335.471 3.169 20 30 EGEDLO N#Cc1ccc(C(=O)OCCc2cn3c([nH+]2)CCCC3)cc1Cl ZINC001343601308 1390725722 /nfs/dbraw/zinc/72/57/22/1390725722.db2.gz HPOHESPENBORML-UHFFFAOYSA-N 1 2 329.787 3.144 20 30 EGEDLO C=CC[C@@H]1CCCN(c2nnc([C@H]3CCC[N@@H+]3C)n2CC(C)C)C1 ZINC001344489572 1390794668 /nfs/dbraw/zinc/79/46/68/1390794668.db2.gz KYTHTWWOAAQTQN-IAGOWNOFSA-N 1 2 331.508 3.493 20 30 EGEDLO C=CC[C@@H]1CCCN(c2nnc([C@H]3CCC[N@H+]3C)n2CC(C)C)C1 ZINC001344489572 1390794669 /nfs/dbraw/zinc/79/46/69/1390794669.db2.gz KYTHTWWOAAQTQN-IAGOWNOFSA-N 1 2 331.508 3.493 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)[C@@H](C#N)c1cccc(F)n1 ZINC001344642846 1390805039 /nfs/dbraw/zinc/80/50/39/1390805039.db2.gz OLXBNQPGSNRGGJ-JTQLQIEISA-N 1 2 344.296 3.034 20 30 EGEDLO Cn1cc[nH+]c1NN=Cc1ccc(OC(F)F)cc1OC(F)F ZINC001347600678 1391098519 /nfs/dbraw/zinc/09/85/19/1391098519.db2.gz PGLBWHXEYLEVQP-UHFFFAOYSA-N 1 2 332.257 3.069 20 30 EGEDLO N#CCc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)c1 ZINC001348019793 1391160488 /nfs/dbraw/zinc/16/04/88/1391160488.db2.gz GCPWQTBPLPBAPT-IBGZPJMESA-N 1 2 334.423 3.141 20 30 EGEDLO N#CCc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)c1 ZINC001348019793 1391160489 /nfs/dbraw/zinc/16/04/89/1391160489.db2.gz GCPWQTBPLPBAPT-IBGZPJMESA-N 1 2 334.423 3.141 20 30 EGEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(CC(C)C)C(C)C ZINC001351545971 1391650618 /nfs/dbraw/zinc/65/06/18/1391650618.db2.gz YOUZQDKUIVMDDH-QGZVFWFLSA-N 1 2 349.523 3.117 20 30 EGEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(CC(C)C)C(C)C ZINC001351545971 1391650621 /nfs/dbraw/zinc/65/06/21/1391650621.db2.gz YOUZQDKUIVMDDH-QGZVFWFLSA-N 1 2 349.523 3.117 20 30 EGEDLO CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(CCC#N)CCC(C)C ZINC001352912301 1391878433 /nfs/dbraw/zinc/87/84/33/1391878433.db2.gz BKYQGTULQAFCHQ-MRXNPFEDSA-N 1 2 332.496 3.221 20 30 EGEDLO CCn1c([C@H]2CCCC[N@H+]2C)nnc1N(CCC#N)CCC(C)C ZINC001352912301 1391878436 /nfs/dbraw/zinc/87/84/36/1391878436.db2.gz BKYQGTULQAFCHQ-MRXNPFEDSA-N 1 2 332.496 3.221 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCOc2cccc(C)c2C)C1 ZINC001479955395 1392492432 /nfs/dbraw/zinc/49/24/32/1392492432.db2.gz RMWZFZILLBNNNJ-MRXNPFEDSA-N 1 2 336.863 3.015 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCOc2cccc(C)c2C)C1 ZINC001479955395 1392492435 /nfs/dbraw/zinc/49/24/35/1392492435.db2.gz RMWZFZILLBNNNJ-MRXNPFEDSA-N 1 2 336.863 3.015 20 30 EGEDLO Cc1ccccc1CCC(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001698997648 1406798961 /nfs/dbraw/zinc/79/89/61/1406798961.db2.gz UNIAAYCYWUPOGY-UHFFFAOYSA-N 1 2 349.478 3.390 20 30 EGEDLO Cc1ccccc1CCC(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC001698997648 1406798962 /nfs/dbraw/zinc/79/89/62/1406798962.db2.gz UNIAAYCYWUPOGY-UHFFFAOYSA-N 1 2 349.478 3.390 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1[nH]nc2ccccc21 ZINC001689911640 1404204931 /nfs/dbraw/zinc/20/49/31/1404204931.db2.gz JJJKYJJRINCIAA-CJNGLKHVSA-N 1 2 346.862 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cc(Cl)c[nH]2)C1 ZINC001691841618 1405552961 /nfs/dbraw/zinc/55/29/61/1405552961.db2.gz GLFDEELXCYQADV-ZDUSSCGKSA-N 1 2 330.259 3.347 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cc(Cl)c[nH]2)C1 ZINC001691841618 1405552964 /nfs/dbraw/zinc/55/29/64/1405552964.db2.gz GLFDEELXCYQADV-ZDUSSCGKSA-N 1 2 330.259 3.347 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@H+](Cc2noc3c2CCCC3)C1 ZINC001698551442 1406148922 /nfs/dbraw/zinc/14/89/22/1406148922.db2.gz NPMBKUHIPWJUMW-MRXNPFEDSA-N 1 2 343.471 3.012 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001698551442 1406148923 /nfs/dbraw/zinc/14/89/23/1406148923.db2.gz NPMBKUHIPWJUMW-MRXNPFEDSA-N 1 2 343.471 3.012 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)CC2CCCCC2)s1 ZINC001699620143 1412984387 /nfs/dbraw/zinc/98/43/87/1412984387.db2.gz SEOMKSCMAAHQJD-OAHLLOKOSA-N 1 2 331.485 3.281 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)CC2CCCCC2)s1 ZINC001699620143 1412984388 /nfs/dbraw/zinc/98/43/88/1412984388.db2.gz SEOMKSCMAAHQJD-OAHLLOKOSA-N 1 2 331.485 3.281 20 30 EGEDLO CCCN(C(=O)[C@H](C)C#N)C1CC[NH+](Cc2csc(CC)n2)CC1 ZINC001713099101 1417649478 /nfs/dbraw/zinc/64/94/78/1417649478.db2.gz CWYLKFONXDXVGS-CQSZACIVSA-N 1 2 348.516 3.068 20 30 EGEDLO CC(F)(F)C1(C(=O)NCC[N@H+](Cc2ccccc2C#N)C2CC2)CC1 ZINC001713562833 1418365719 /nfs/dbraw/zinc/36/57/19/1418365719.db2.gz OUNRVOFYGLISJM-UHFFFAOYSA-N 1 2 347.409 3.074 20 30 EGEDLO CC(F)(F)C1(C(=O)NCC[N@@H+](Cc2ccccc2C#N)C2CC2)CC1 ZINC001713562833 1418365721 /nfs/dbraw/zinc/36/57/21/1418365721.db2.gz OUNRVOFYGLISJM-UHFFFAOYSA-N 1 2 347.409 3.074 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccc2scnc2c1)C1CC1 ZINC001713564419 1418371205 /nfs/dbraw/zinc/37/12/05/1418371205.db2.gz WPEFCGLPWWQISB-UHFFFAOYSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccc2scnc2c1)C1CC1 ZINC001713564419 1418371208 /nfs/dbraw/zinc/37/12/08/1418371208.db2.gz WPEFCGLPWWQISB-UHFFFAOYSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H]1CNC(=O)CC1(C)CC1 ZINC001714108882 1418908899 /nfs/dbraw/zinc/90/88/99/1418908899.db2.gz CLEYFKSDDSVTMG-ZDUSSCGKSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(=O)CC1(C)CC1 ZINC001714108882 1418908902 /nfs/dbraw/zinc/90/89/02/1418908902.db2.gz CLEYFKSDDSVTMG-ZDUSSCGKSA-N 1 2 329.282 3.056 20 30 EGEDLO CC1(CCC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2C#N)CC1 ZINC001714851689 1419563491 /nfs/dbraw/zinc/56/34/91/1419563491.db2.gz WPLGJGZZKJOHJD-KDURUIRLSA-N 1 2 337.467 3.314 20 30 EGEDLO CC1(CCC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2C#N)CC1 ZINC001714851689 1419563492 /nfs/dbraw/zinc/56/34/92/1419563492.db2.gz WPLGJGZZKJOHJD-KDURUIRLSA-N 1 2 337.467 3.314 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)C1C(C)(C)C1(C)C ZINC001715515767 1420201747 /nfs/dbraw/zinc/20/17/47/1420201747.db2.gz OSZLSXKYGSYKEL-UHFFFAOYSA-N 1 2 327.472 3.131 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)C1C(C)(C)C1(C)C ZINC001715515767 1420201750 /nfs/dbraw/zinc/20/17/50/1420201750.db2.gz OSZLSXKYGSYKEL-UHFFFAOYSA-N 1 2 327.472 3.131 20 30 EGEDLO CCCC[C@H](C)C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001715813758 1420353335 /nfs/dbraw/zinc/35/33/35/1420353335.db2.gz DYKMOEYUVITKDU-HNNXBMFYSA-N 1 2 333.451 3.414 20 30 EGEDLO CCCC[C@H](C)C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001715813758 1420353338 /nfs/dbraw/zinc/35/33/38/1420353338.db2.gz DYKMOEYUVITKDU-HNNXBMFYSA-N 1 2 333.451 3.414 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccccc1OCC1CC1 ZINC001717499486 1421442826 /nfs/dbraw/zinc/44/28/26/1421442826.db2.gz KCGUSFAPKAUJHY-CQSZACIVSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccccc1OCC1CC1 ZINC001717499486 1421442828 /nfs/dbraw/zinc/44/28/28/1421442828.db2.gz KCGUSFAPKAUJHY-CQSZACIVSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C2(CC)CC2)C[C@H]1C ZINC001724995043 1425400283 /nfs/dbraw/zinc/40/02/83/1425400283.db2.gz JFKFICQOAGPRNQ-CHWSQXEVSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C2(CC)CC2)C[C@H]1C ZINC001724995043 1425400286 /nfs/dbraw/zinc/40/02/86/1425400286.db2.gz JFKFICQOAGPRNQ-CHWSQXEVSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C[C@H](CC)CC(=O)N(C)C1CC[NH+]([C@@H](C)c2nnc(CC)o2)CC1 ZINC001752303667 1440168393 /nfs/dbraw/zinc/16/83/93/1440168393.db2.gz FNYFWJYXVPEUBS-LSDHHAIUSA-N 1 2 348.491 3.218 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCc1ccc(F)cc1 ZINC001752535488 1440194135 /nfs/dbraw/zinc/19/41/35/1440194135.db2.gz FXUVKAXGOZVFLZ-FFZOFVMBSA-N 1 2 342.458 3.093 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCc1ccc(F)cc1 ZINC001752535488 1440194136 /nfs/dbraw/zinc/19/41/36/1440194136.db2.gz FXUVKAXGOZVFLZ-FFZOFVMBSA-N 1 2 342.458 3.093 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1noc(C)n1 ZINC001752697473 1440201010 /nfs/dbraw/zinc/20/10/10/1440201010.db2.gz FKKLISYECLIHCE-WWTUQBGBSA-N 1 2 346.475 3.153 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1noc(C)n1 ZINC001752697473 1440201011 /nfs/dbraw/zinc/20/10/11/1440201011.db2.gz FKKLISYECLIHCE-WWTUQBGBSA-N 1 2 346.475 3.153 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccc(F)cn2)C1 ZINC001752822821 1440221695 /nfs/dbraw/zinc/22/16/95/1440221695.db2.gz OZBFBAOJTVSGBC-QGZVFWFLSA-N 1 2 331.435 3.048 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccc(F)cn2)C1 ZINC001752822821 1440221696 /nfs/dbraw/zinc/22/16/96/1440221696.db2.gz OZBFBAOJTVSGBC-QGZVFWFLSA-N 1 2 331.435 3.048 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[C@H]([N@@H+](C)Cc2ncc(CC)o2)C1 ZINC001752995298 1440261775 /nfs/dbraw/zinc/26/17/75/1440261775.db2.gz RPXYKPBHHYKIBR-KRWDZBQOSA-N 1 2 345.487 3.244 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[C@H]([N@H+](C)Cc2ncc(CC)o2)C1 ZINC001752995298 1440261776 /nfs/dbraw/zinc/26/17/76/1440261776.db2.gz RPXYKPBHHYKIBR-KRWDZBQOSA-N 1 2 345.487 3.244 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCC[N@@H+](C)Cc1cccc(OC)c1Cl ZINC001753059823 1440282693 /nfs/dbraw/zinc/28/26/93/1440282693.db2.gz WQXIMEYFYAVVNU-UHFFFAOYSA-N 1 2 338.879 3.499 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCC[N@H+](C)Cc1cccc(OC)c1Cl ZINC001753059823 1440282694 /nfs/dbraw/zinc/28/26/94/1440282694.db2.gz WQXIMEYFYAVVNU-UHFFFAOYSA-N 1 2 338.879 3.499 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]1(c2ccccc2)CCCO1 ZINC001753115014 1440310864 /nfs/dbraw/zinc/31/08/64/1440310864.db2.gz AXQNNSGSKTUAFT-MJGOQNOKSA-N 1 2 348.874 3.025 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@]1(c2ccccc2)CCCO1 ZINC001753115014 1440310865 /nfs/dbraw/zinc/31/08/65/1440310865.db2.gz AXQNNSGSKTUAFT-MJGOQNOKSA-N 1 2 348.874 3.025 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CC[N@H+](Cc2nc(C3CCCC3)no2)C1 ZINC001753133866 1440317998 /nfs/dbraw/zinc/31/79/98/1440317998.db2.gz QOIAOSMUAUZDNT-HNNXBMFYSA-N 1 2 346.475 3.022 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CC[N@@H+](Cc2nc(C3CCCC3)no2)C1 ZINC001753133866 1440317999 /nfs/dbraw/zinc/31/79/99/1440317999.db2.gz QOIAOSMUAUZDNT-HNNXBMFYSA-N 1 2 346.475 3.022 20 30 EGEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)c1ccoc1Cl ZINC001753144225 1440323335 /nfs/dbraw/zinc/32/33/35/1440323335.db2.gz OQCMQFMMCHDVFH-UHFFFAOYSA-N 1 2 349.656 3.283 20 30 EGEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1ccoc1Cl ZINC001753144225 1440323336 /nfs/dbraw/zinc/32/33/36/1440323336.db2.gz OQCMQFMMCHDVFH-UHFFFAOYSA-N 1 2 349.656 3.283 20 30 EGEDLO C=CCC1(C(=O)N(C)CC[NH2+][C@@H](C)c2nc(CC)no2)CCCCC1 ZINC001753263883 1440344518 /nfs/dbraw/zinc/34/45/18/1440344518.db2.gz AKHFEGFDXFSJHO-HNNXBMFYSA-N 1 2 348.491 3.268 20 30 EGEDLO CCCN(C(=O)C#CC(C)C)[C@@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC001753316673 1440360103 /nfs/dbraw/zinc/36/01/03/1440360103.db2.gz XXVMANBBWJGTLS-QGZVFWFLSA-N 1 2 348.437 3.437 20 30 EGEDLO CCCN(C(=O)C#CC(C)C)[C@@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC001753316673 1440360104 /nfs/dbraw/zinc/36/01/04/1440360104.db2.gz XXVMANBBWJGTLS-QGZVFWFLSA-N 1 2 348.437 3.437 20 30 EGEDLO C=CCN1CC[NH+](CCN(C)C(=O)C2CCC(CCCC)CC2)CC1 ZINC001753344576 1440375973 /nfs/dbraw/zinc/37/59/73/1440375973.db2.gz KQGVNWRSSHCXIH-UHFFFAOYSA-N 1 2 349.563 3.245 20 30 EGEDLO C=CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccnc1)c1ccccc1 ZINC001753427976 1440397334 /nfs/dbraw/zinc/39/73/34/1440397334.db2.gz ROPVLJFQAIGKQB-ACRUOGEOSA-N 1 2 347.462 3.227 20 30 EGEDLO C=CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccnc1)c1ccccc1 ZINC001753427976 1440397335 /nfs/dbraw/zinc/39/73/35/1440397335.db2.gz ROPVLJFQAIGKQB-ACRUOGEOSA-N 1 2 347.462 3.227 20 30 EGEDLO C[C@@H](C#N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC001753433346 1440399103 /nfs/dbraw/zinc/39/91/03/1440399103.db2.gz GXPGZHVZGMCQPI-WCQYABFASA-N 1 2 340.254 3.186 20 30 EGEDLO C[C@@H](C#N)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC001753433346 1440399104 /nfs/dbraw/zinc/39/91/04/1440399104.db2.gz GXPGZHVZGMCQPI-WCQYABFASA-N 1 2 340.254 3.186 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1C[N@H+](Cc2cc(C)sc2C)CCO1 ZINC001753656054 1440457466 /nfs/dbraw/zinc/45/74/66/1440457466.db2.gz MGDQMIBKDWJRKI-KRWDZBQOSA-N 1 2 336.501 3.038 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1C[N@@H+](Cc2cc(C)sc2C)CCO1 ZINC001753656054 1440457467 /nfs/dbraw/zinc/45/74/67/1440457467.db2.gz MGDQMIBKDWJRKI-KRWDZBQOSA-N 1 2 336.501 3.038 20 30 EGEDLO CC(C)CC(C)(C)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001754499729 1440613669 /nfs/dbraw/zinc/61/36/69/1440613669.db2.gz IVPQHHLHBDCGJU-CQSZACIVSA-N 1 2 333.501 3.383 20 30 EGEDLO CC(C)CC(C)(C)C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001754499729 1440613670 /nfs/dbraw/zinc/61/36/70/1440613670.db2.gz IVPQHHLHBDCGJU-CQSZACIVSA-N 1 2 333.501 3.383 20 30 EGEDLO C=CCC(CC=C)C(=O)N(C)C1C[NH+](Cc2cccc(OC)c2C)C1 ZINC001754575363 1440637657 /nfs/dbraw/zinc/63/76/57/1440637657.db2.gz GUXRFMIKEXOJGH-UHFFFAOYSA-N 1 2 342.483 3.415 20 30 EGEDLO C=C(C)CCC(=O)N(C)C1C[NH+](CCOc2cccc(CC)c2)C1 ZINC001754576567 1440637756 /nfs/dbraw/zinc/63/77/56/1440637756.db2.gz QDFAJEAXRSHDRY-UHFFFAOYSA-N 1 2 330.472 3.127 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)CC(C)(C)C)CC1 ZINC001754624764 1440646041 /nfs/dbraw/zinc/64/60/41/1440646041.db2.gz XLKYTBNEZYHVHK-UHFFFAOYSA-N 1 2 331.298 3.302 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@]1(C)CC[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001754674116 1440659245 /nfs/dbraw/zinc/65/92/45/1440659245.db2.gz NTYVUGLKLXJTMS-HXUWFJFHSA-N 1 2 344.503 3.313 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@]1(C)CC[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001754674116 1440659246 /nfs/dbraw/zinc/65/92/46/1440659246.db2.gz NTYVUGLKLXJTMS-HXUWFJFHSA-N 1 2 344.503 3.313 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCC1(C)CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001754720394 1440673037 /nfs/dbraw/zinc/67/30/37/1440673037.db2.gz OAEWAAKXGPADGE-PXNSSMCTSA-N 1 2 336.520 3.234 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@H+](Cc2nccc(C)n2)CC1(C)C ZINC001755140635 1440760023 /nfs/dbraw/zinc/76/00/23/1440760023.db2.gz BLTIRUDGTRZYHL-IRXDYDNUSA-N 1 2 344.503 3.104 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@@H+](Cc2nccc(C)n2)CC1(C)C ZINC001755140635 1440760024 /nfs/dbraw/zinc/76/00/24/1440760024.db2.gz BLTIRUDGTRZYHL-IRXDYDNUSA-N 1 2 344.503 3.104 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nc(C)c(C)o1 ZINC001755197627 1440777641 /nfs/dbraw/zinc/77/76/41/1440777641.db2.gz YOUSWXGHPMYSIB-SFHVURJKSA-N 1 2 345.487 3.298 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[C@H]1C[N@H+](C)Cc1nc(C)c(C)o1 ZINC001755197627 1440777642 /nfs/dbraw/zinc/77/76/42/1440777642.db2.gz YOUSWXGHPMYSIB-SFHVURJKSA-N 1 2 345.487 3.298 20 30 EGEDLO C#CCCCC(=O)NC[C@H]1CCCCC[N@H+]1C/C(Cl)=C/Cl ZINC001755364336 1440833659 /nfs/dbraw/zinc/83/36/59/1440833659.db2.gz SVNSZGFLJMTABT-QKXCFHHRSA-N 1 2 331.287 3.470 20 30 EGEDLO C=CCC(CC=C)C(=O)N1C[C@@H]([NH2+]Cc2nc(C(C)C)no2)C[C@H]1C ZINC001755675390 1440894476 /nfs/dbraw/zinc/89/44/76/1440894476.db2.gz JLGRSPSYUJKPDY-ZBFHGGJFSA-N 1 2 346.475 3.040 20 30 EGEDLO C=CCC(CC=C)C(=O)N1C[C@H]([NH2+]Cc2nc(C(C)C)no2)C[C@H]1C ZINC001755675387 1440894486 /nfs/dbraw/zinc/89/44/86/1440894486.db2.gz JLGRSPSYUJKPDY-GDBMZVCRSA-N 1 2 346.475 3.040 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)c1nn(C)c2ccccc12)C(C)C ZINC001755817293 1440924106 /nfs/dbraw/zinc/92/41/06/1440924106.db2.gz HWPKXSOWTPYFAW-UHFFFAOYSA-N 1 2 348.878 3.108 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)c1nn(C)c2ccccc12)C(C)C ZINC001755817293 1440924107 /nfs/dbraw/zinc/92/41/07/1440924107.db2.gz HWPKXSOWTPYFAW-UHFFFAOYSA-N 1 2 348.878 3.108 20 30 EGEDLO C=CCC[C@H](C)[NH2+]C[C@H](NC(=O)c1ccc2nc[nH]c2n1)C(C)(C)C ZINC001755826785 1440927450 /nfs/dbraw/zinc/92/74/50/1440927450.db2.gz XURYGWUXUOQOBX-BBRMVZONSA-N 1 2 343.475 3.047 20 30 EGEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCc4ccc(F)cc4C3)C2=O)cc1 ZINC000352767481 283159244 /nfs/dbraw/zinc/15/92/44/283159244.db2.gz BGVUQQXATFOPIU-FQEVSTJZSA-N 1 2 349.409 3.251 20 30 EGEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCc4ccc(F)cc4C3)C2=O)cc1 ZINC000352767481 283159245 /nfs/dbraw/zinc/15/92/45/283159245.db2.gz BGVUQQXATFOPIU-FQEVSTJZSA-N 1 2 349.409 3.251 20 30 EGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)Nc1ncccn1 ZINC000298563890 202333870 /nfs/dbraw/zinc/33/38/70/202333870.db2.gz JTUHVSRWFFEIDT-LLVKDONJSA-N 1 2 336.848 3.207 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)Nc1ncccn1 ZINC000298563890 202333874 /nfs/dbraw/zinc/33/38/74/202333874.db2.gz JTUHVSRWFFEIDT-LLVKDONJSA-N 1 2 336.848 3.207 20 30 EGEDLO C=CCN(C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F)C1CC1 ZINC000271482275 201244985 /nfs/dbraw/zinc/24/49/85/201244985.db2.gz SQXHURFDIXKONG-MRXNPFEDSA-N 1 2 328.391 3.009 20 30 EGEDLO C=CCN(C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1)C1CC1 ZINC000271449567 201245043 /nfs/dbraw/zinc/24/50/43/201245043.db2.gz NUDGMNTWZHHDRC-INIZCTEOSA-N 1 2 328.391 3.009 20 30 EGEDLO C=C(C)[C@H](CC(=O)Nc1ccccc1OCCn1cc[nH+]c1)OCC ZINC000270086443 201234811 /nfs/dbraw/zinc/23/48/11/201234811.db2.gz NWPFPQZKSFPMDR-SFHVURJKSA-N 1 2 343.427 3.272 20 30 EGEDLO C#CC[N@@H+](Cc1csc(-c2ccc(OC)c(OC)c2)n1)C1CC1 ZINC000274238526 201267403 /nfs/dbraw/zinc/26/74/03/201267403.db2.gz XNYOCFJIBWDPPD-UHFFFAOYSA-N 1 2 328.437 3.425 20 30 EGEDLO C#CC[N@H+](Cc1csc(-c2ccc(OC)c(OC)c2)n1)C1CC1 ZINC000274238526 201267406 /nfs/dbraw/zinc/26/74/06/201267406.db2.gz XNYOCFJIBWDPPD-UHFFFAOYSA-N 1 2 328.437 3.425 20 30 EGEDLO C=C(C)[C@@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000274742957 201271202 /nfs/dbraw/zinc/27/12/02/201271202.db2.gz YVWADCVJZOJXSO-MLGOLLRUSA-N 1 2 334.370 3.166 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000279937761 201323492 /nfs/dbraw/zinc/32/34/92/201323492.db2.gz BCCCAPZBZDTVKR-ZETCQYMHSA-N 1 2 343.663 3.044 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccccn2)c(C#N)c1C ZINC000127974958 205125614 /nfs/dbraw/zinc/12/56/14/205125614.db2.gz XAVHUJLXFMJSRQ-LBPRGKRZSA-N 1 2 328.441 3.263 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+](C)[C@@H](C)c2ccccn2)c(C#N)c1C ZINC000127974958 205125616 /nfs/dbraw/zinc/12/56/16/205125616.db2.gz XAVHUJLXFMJSRQ-LBPRGKRZSA-N 1 2 328.441 3.263 20 30 EGEDLO C[C@@H]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129817800 205212106 /nfs/dbraw/zinc/21/21/06/205212106.db2.gz OGUVXDUNQMPORW-WBMJQRKESA-N 1 2 327.363 3.009 20 30 EGEDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(C#N)s1 ZINC000160251019 206286310 /nfs/dbraw/zinc/28/63/10/206286310.db2.gz CPZAVAPKZWZWQJ-UHFFFAOYSA-N 1 2 335.379 3.359 20 30 EGEDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(C#N)s1 ZINC000160251019 206286316 /nfs/dbraw/zinc/28/63/16/206286316.db2.gz CPZAVAPKZWZWQJ-UHFFFAOYSA-N 1 2 335.379 3.359 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000012535685 258054633 /nfs/dbraw/zinc/05/46/33/258054633.db2.gz DTNHYYNLBMCAKS-KRWDZBQOSA-N 1 2 349.369 3.342 20 30 EGEDLO N#Cc1ccccc1COc1cccc(CNc2ccc(CO)c[nH+]2)c1 ZINC000356315092 141340343 /nfs/dbraw/zinc/34/03/43/141340343.db2.gz HGAIQIKMDVGBFC-UHFFFAOYSA-N 1 2 345.402 3.059 20 30 EGEDLO CN(C)c1ccc(CNc2ccc(C#N)cc2Br)c[nH+]1 ZINC000341271155 155221670 /nfs/dbraw/zinc/22/16/70/155221670.db2.gz KQVSTBBPNNOJIY-UHFFFAOYSA-N 1 2 331.217 3.394 20 30 EGEDLO Cn1cc[nH+]c1[C@H](Nc1nccc(C#N)c1Cl)c1cccc(F)c1 ZINC000341456529 155303242 /nfs/dbraw/zinc/30/32/42/155303242.db2.gz BYAVZRUYNFGYLF-OAHLLOKOSA-N 1 2 341.777 3.103 20 30 EGEDLO CCCCOc1cccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000115597251 152023027 /nfs/dbraw/zinc/02/30/27/152023027.db2.gz ZUNMAJHIYGOZIX-IBGZPJMESA-N 1 2 337.423 3.053 20 30 EGEDLO Cn1cc(C[NH+]2CCN(Cc3c(F)cccc3Cl)CC2)cc1C#N ZINC000191184004 153178300 /nfs/dbraw/zinc/17/83/00/153178300.db2.gz SHCOUVNUEDPESS-UHFFFAOYSA-N 1 2 346.837 3.007 20 30 EGEDLO Cc1nsc(NC[C@H](c2cccc(C)c2)[NH+]2CCOCC2)c1C#N ZINC000339970835 155056634 /nfs/dbraw/zinc/05/66/34/155056634.db2.gz UXDMLSJJUVVLJF-QGZVFWFLSA-N 1 2 342.468 3.117 20 30 EGEDLO CCNc1ccc(C#N)cc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000346895862 156185612 /nfs/dbraw/zinc/18/56/12/156185612.db2.gz LZNNQPCWRKHDBX-UHFFFAOYSA-N 1 2 331.379 3.428 20 30 EGEDLO CN(Cc1[nH+]ccn1C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000103064272 162051278 /nfs/dbraw/zinc/05/12/78/162051278.db2.gz YPYBPEXNTRMWFU-UHFFFAOYSA-N 1 2 346.390 3.356 20 30 EGEDLO CC[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1cc(F)ccc1F ZINC000341981107 163755023 /nfs/dbraw/zinc/75/50/23/163755023.db2.gz ITZQQKJWUUMLFE-DLBZAZTESA-N 1 2 329.350 3.104 20 30 EGEDLO Cc1nsc(N2CC[NH+]([C@@H](C)c3ccc(F)cc3)CC2)c1C#N ZINC000352174976 165268093 /nfs/dbraw/zinc/26/80/93/165268093.db2.gz DYGWJMWPAOJBDI-ZDUSSCGKSA-N 1 2 330.432 3.346 20 30 EGEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000352224259 165293878 /nfs/dbraw/zinc/29/38/78/165293878.db2.gz XCFWKSWJFSOOGI-UHFFFAOYSA-N 1 2 325.799 3.208 20 30 EGEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000352224259 165293882 /nfs/dbraw/zinc/29/38/82/165293882.db2.gz XCFWKSWJFSOOGI-UHFFFAOYSA-N 1 2 325.799 3.208 20 30 EGEDLO N#Cc1cnc2ccc(Cl)cc2c1NCCCNc1cccc[nH+]1 ZINC000359453608 167160618 /nfs/dbraw/zinc/16/06/18/167160618.db2.gz CUYUPGOFUJZRGJ-UHFFFAOYSA-N 1 2 337.814 3.491 20 30 EGEDLO N#Cc1ccc(C[NH2+][C@@H](CO)c2cccc(F)c2)c(Br)c1 ZINC000359519903 167177489 /nfs/dbraw/zinc/17/74/89/167177489.db2.gz ISSHFVLYEINHFB-INIZCTEOSA-N 1 2 349.203 3.283 20 30 EGEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(O)(Cc2ccccc2F)CC1 ZINC000365867458 168053516 /nfs/dbraw/zinc/05/35/16/168053516.db2.gz ZCGADTLNUALKQK-UHFFFAOYSA-N 1 2 342.389 3.406 20 30 EGEDLO Cc1cc(N2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c(C#N)c[nH+]1 ZINC000496383853 269915400 /nfs/dbraw/zinc/91/54/00/269915400.db2.gz QAKVPXDUBXIBKP-UONOGXRCSA-N 1 2 330.432 3.001 20 30 EGEDLO N#Cc1nc(Nc2ccc(N3CCCC3)[nH+]c2)ccc1C(F)(F)F ZINC000443444123 269947443 /nfs/dbraw/zinc/94/74/43/269947443.db2.gz ZENZOORDXCHYQD-UHFFFAOYSA-N 1 2 333.317 3.133 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCc1cccc(C)c1)Cc1cccc(C#N)c1 ZINC000111208265 270038304 /nfs/dbraw/zinc/03/83/04/270038304.db2.gz NENLULMQTZUULC-UHFFFAOYSA-N 1 2 333.435 3.171 20 30 EGEDLO C=CC[N@H+](CC(=O)NCc1cccc(C)c1)Cc1cccc(C#N)c1 ZINC000111208265 270038306 /nfs/dbraw/zinc/03/83/06/270038306.db2.gz NENLULMQTZUULC-UHFFFAOYSA-N 1 2 333.435 3.171 20 30 EGEDLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC000444774990 267039300 /nfs/dbraw/zinc/03/93/00/267039300.db2.gz LBRUVUZPUHDKBR-LJQANCHMSA-N 1 2 330.428 3.265 20 30 EGEDLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1Cc1cc(C#N)ccc1OC ZINC000444774990 267039302 /nfs/dbraw/zinc/03/93/02/267039302.db2.gz LBRUVUZPUHDKBR-LJQANCHMSA-N 1 2 330.428 3.265 20 30 EGEDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000492526213 267257696 /nfs/dbraw/zinc/25/76/96/267257696.db2.gz BVCINOGMCCZWHZ-FPLPWBNLSA-N 1 2 326.425 3.367 20 30 EGEDLO Cc1c(Cl)cnc(N2CCC[N@H+](Cc3cscn3)CC2)c1C#N ZINC000273402450 267294557 /nfs/dbraw/zinc/29/45/57/267294557.db2.gz WJLPTJDDFYSVMA-UHFFFAOYSA-N 1 2 347.875 3.084 20 30 EGEDLO Cc1c(Cl)cnc(N2CCC[N@@H+](Cc3cscn3)CC2)c1C#N ZINC000273402450 267294560 /nfs/dbraw/zinc/29/45/60/267294560.db2.gz WJLPTJDDFYSVMA-UHFFFAOYSA-N 1 2 347.875 3.084 20 30 EGEDLO C[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(F)c(Cl)c1 ZINC000433238236 267298902 /nfs/dbraw/zinc/29/89/02/267298902.db2.gz FEXLADXLLVTANS-UHFFFAOYSA-N 1 2 337.807 3.483 20 30 EGEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(F)c(Cl)c1 ZINC000433238236 267298905 /nfs/dbraw/zinc/29/89/05/267298905.db2.gz FEXLADXLLVTANS-UHFFFAOYSA-N 1 2 337.807 3.483 20 30 EGEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ccc(C#N)cc2F)cc1 ZINC000486451708 268043716 /nfs/dbraw/zinc/04/37/16/268043716.db2.gz ORHJTCNETWHNIX-HXUWFJFHSA-N 1 2 339.414 3.491 20 30 EGEDLO Cc1ccn2cc(CNC(=O)C(C)(C)Cc3ccc(C#N)cc3)[nH+]c2c1 ZINC000454937827 268062183 /nfs/dbraw/zinc/06/21/83/268062183.db2.gz CLJDJCGQXMTXJN-UHFFFAOYSA-N 1 2 346.434 3.400 20 30 EGEDLO N#Cc1ccc(CNc2ccc([NH+]3CCC(O)CC3)cc2)c(F)c1 ZINC000269387044 268077256 /nfs/dbraw/zinc/07/72/56/268077256.db2.gz BGWHTVVEDCJEMK-UHFFFAOYSA-N 1 2 325.387 3.271 20 30 EGEDLO N#Cc1ccc(C[S@](=O)Cc2cn3cc(Cl)ccc3[nH+]2)cc1 ZINC000176530280 268093138 /nfs/dbraw/zinc/09/31/38/268093138.db2.gz QTEZZCYCHQWJOY-QFIPXVFZSA-N 1 2 329.812 3.308 20 30 EGEDLO N#Cc1ccc([N+](=O)[O-])c(NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000274352685 268218106 /nfs/dbraw/zinc/21/81/06/268218106.db2.gz SQUPPCJWWHJWEB-UHFFFAOYSA-N 1 2 337.383 3.464 20 30 EGEDLO N#Cc1ccc(NC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000426162102 268244900 /nfs/dbraw/zinc/24/49/00/268244900.db2.gz OVWNXYYMYBFHCT-AWEZNQCLSA-N 1 2 342.786 3.292 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000287911323 276168630 /nfs/dbraw/zinc/16/86/30/276168630.db2.gz VMINAWUTTVECOG-GOSISDBHSA-N 1 2 327.815 3.398 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000287911323 276168632 /nfs/dbraw/zinc/16/86/32/276168632.db2.gz VMINAWUTTVECOG-GOSISDBHSA-N 1 2 327.815 3.398 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c(C#N)c1C ZINC000157179969 294036527 /nfs/dbraw/zinc/03/65/27/294036527.db2.gz XULGKDSKRNVMGA-QGZVFWFLSA-N 1 2 338.411 3.247 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(C)n2)c(C#N)c1C ZINC000157179969 294036528 /nfs/dbraw/zinc/03/65/28/294036528.db2.gz XULGKDSKRNVMGA-QGZVFWFLSA-N 1 2 338.411 3.247 20 30 EGEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000007018057 453018936 /nfs/dbraw/zinc/01/89/36/453018936.db2.gz XATWCRXNDQTPKF-INIZCTEOSA-N 1 2 340.254 3.234 20 30 EGEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000007018057 453018942 /nfs/dbraw/zinc/01/89/42/453018942.db2.gz XATWCRXNDQTPKF-INIZCTEOSA-N 1 2 340.254 3.234 20 30 EGEDLO Cc1ccc(C#N)c(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000127528720 307586244 /nfs/dbraw/zinc/58/62/44/307586244.db2.gz JFZUBIFGHXETCD-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO COC(=O)c1cccc(C[NH+]2CCC(C(F)(F)F)CC2)c1C#N ZINC000535962665 314085778 /nfs/dbraw/zinc/08/57/78/314085778.db2.gz HLINPDWWLWIVFY-UHFFFAOYSA-N 1 2 326.318 3.119 20 30 EGEDLO C[C@@H]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000570204350 317022303 /nfs/dbraw/zinc/02/23/03/317022303.db2.gz RLWNXIJZKKGBFB-MLGOLLRUSA-N 1 2 328.803 3.131 20 30 EGEDLO CC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@H](O)C(F)(F)F ZINC000189508235 455210453 /nfs/dbraw/zinc/21/04/53/455210453.db2.gz RYDDMBKGQOHUQQ-ZDUSSCGKSA-N 1 2 339.279 3.302 20 30 EGEDLO CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@H](O)C(F)(F)F ZINC000189508235 455210459 /nfs/dbraw/zinc/21/04/59/455210459.db2.gz RYDDMBKGQOHUQQ-ZDUSSCGKSA-N 1 2 339.279 3.302 20 30 EGEDLO COC(=O)c1cccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1C#N ZINC000581425597 325360344 /nfs/dbraw/zinc/36/03/44/325360344.db2.gz MMLPMWDYOSKDGR-AWEZNQCLSA-N 1 2 333.391 3.410 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1C#N ZINC000581425597 325360346 /nfs/dbraw/zinc/36/03/46/325360346.db2.gz MMLPMWDYOSKDGR-AWEZNQCLSA-N 1 2 333.391 3.410 20 30 EGEDLO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000347190139 457279627 /nfs/dbraw/zinc/27/96/27/457279627.db2.gz GUWPBSSXGJTGDI-WQGACYEGSA-N 1 2 337.261 3.302 20 30 EGEDLO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000347190139 457279632 /nfs/dbraw/zinc/27/96/32/457279632.db2.gz GUWPBSSXGJTGDI-WQGACYEGSA-N 1 2 337.261 3.302 20 30 EGEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cc(Cl)c(Cl)cc1Cl ZINC000414135791 458314972 /nfs/dbraw/zinc/31/49/72/458314972.db2.gz FGLQLYIDBMZRMC-SECBINFHSA-N 1 2 337.634 3.232 20 30 EGEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cc(Cl)c(Cl)cc1Cl ZINC000414135791 458314979 /nfs/dbraw/zinc/31/49/79/458314979.db2.gz FGLQLYIDBMZRMC-SECBINFHSA-N 1 2 337.634 3.232 20 30 EGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)NCCCn1cc[nH+]c1 ZINC000264573859 455240318 /nfs/dbraw/zinc/24/03/18/455240318.db2.gz VZPBQOMSQYIZAZ-AWEZNQCLSA-N 1 2 343.456 3.347 20 30 EGEDLO N#CCCN(C(=O)C[N@@H+]1CCc2cccc(F)c2C1)c1ccccc1 ZINC000157962275 455253896 /nfs/dbraw/zinc/25/38/96/455253896.db2.gz MSDTVBPQXVADDA-UHFFFAOYSA-N 1 2 337.398 3.131 20 30 EGEDLO N#CCCN(C(=O)C[N@H+]1CCc2cccc(F)c2C1)c1ccccc1 ZINC000157962275 455253900 /nfs/dbraw/zinc/25/39/00/455253900.db2.gz MSDTVBPQXVADDA-UHFFFAOYSA-N 1 2 337.398 3.131 20 30 EGEDLO CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000264734925 455272570 /nfs/dbraw/zinc/27/25/70/455272570.db2.gz OBEVBXYQXJKPEV-CQSZACIVSA-N 1 2 339.399 3.092 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1ccco1)Cc1cccs1 ZINC000007580746 453087286 /nfs/dbraw/zinc/08/72/86/453087286.db2.gz UQNVFIZZYHPFDE-GOSISDBHSA-N 1 2 345.468 3.398 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000007580746 453087296 /nfs/dbraw/zinc/08/72/96/453087296.db2.gz UQNVFIZZYHPFDE-GOSISDBHSA-N 1 2 345.468 3.398 20 30 EGEDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000017843355 453639371 /nfs/dbraw/zinc/63/93/71/453639371.db2.gz KNFMWJZHYCSBBM-UHFFFAOYSA-N 1 2 333.435 3.133 20 30 EGEDLO COc1ccccc1N1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000024574437 453738166 /nfs/dbraw/zinc/73/81/66/453738166.db2.gz QFXSDHRJUXOCFJ-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO COc1ccc(C[NH+]2CCN(Cc3cccc(C#N)c3)CC2)cc1F ZINC000025798260 453786543 /nfs/dbraw/zinc/78/65/43/453786543.db2.gz NICZSSBXOYVOFO-UHFFFAOYSA-N 1 2 339.414 3.024 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC[C@@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000028656454 453824161 /nfs/dbraw/zinc/82/41/61/453824161.db2.gz KTQMVXUGTVKERL-CJNGLKHVSA-N 1 2 327.819 3.196 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1ccccc1 ZINC000029070808 453826103 /nfs/dbraw/zinc/82/61/03/453826103.db2.gz IVDSCZHHISXGQK-FQEVSTJZSA-N 1 2 344.418 3.130 20 30 EGEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000081513953 453880129 /nfs/dbraw/zinc/88/01/29/453880129.db2.gz OZBIWNXBBBLSRF-JKSUJKDBSA-N 1 2 327.472 3.367 20 30 EGEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000081513953 453880133 /nfs/dbraw/zinc/88/01/33/453880133.db2.gz OZBIWNXBBBLSRF-JKSUJKDBSA-N 1 2 327.472 3.367 20 30 EGEDLO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1cccc(C#N)c1 ZINC000075596120 453909296 /nfs/dbraw/zinc/90/92/96/453909296.db2.gz VLKPPRUCMUZAJY-UHFFFAOYSA-N 1 2 329.363 3.112 20 30 EGEDLO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1cccc(C#N)c1 ZINC000075596120 453909299 /nfs/dbraw/zinc/90/92/99/453909299.db2.gz VLKPPRUCMUZAJY-UHFFFAOYSA-N 1 2 329.363 3.112 20 30 EGEDLO CN(C(=O)C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1ccccc1 ZINC000076153324 453972505 /nfs/dbraw/zinc/97/25/05/453972505.db2.gz OMXAWZBDTMBRFD-VQTJNVASSA-N 1 2 333.435 3.421 20 30 EGEDLO CN(C(=O)C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1ccccc1 ZINC000076153324 453972507 /nfs/dbraw/zinc/97/25/07/453972507.db2.gz OMXAWZBDTMBRFD-VQTJNVASSA-N 1 2 333.435 3.421 20 30 EGEDLO CCCN(CCC)C(=O)C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076152580 453972594 /nfs/dbraw/zinc/97/25/94/453972594.db2.gz HUCFLDPNHCVTQV-RBUKOAKNSA-N 1 2 327.472 3.407 20 30 EGEDLO CCCN(CCC)C(=O)C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076152580 453972595 /nfs/dbraw/zinc/97/25/95/453972595.db2.gz HUCFLDPNHCVTQV-RBUKOAKNSA-N 1 2 327.472 3.407 20 30 EGEDLO CC(C)C[C@H](C)CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000067900257 453978969 /nfs/dbraw/zinc/97/89/69/453978969.db2.gz CPJBMSAIFUKUDN-KRWDZBQOSA-N 1 2 327.472 3.275 20 30 EGEDLO Cc1cc2[nH+]cn(C[C@H](O)CSc3cc(C#N)ccn3)c2cc1C ZINC000076493120 454008317 /nfs/dbraw/zinc/00/83/17/454008317.db2.gz IKWRVHKNRRBBJZ-HNNXBMFYSA-N 1 2 338.436 3.073 20 30 EGEDLO N#Cc1cc(Cl)ccc1NCc1ccc[nH+]c1N1CCOCC1 ZINC000068429147 454026710 /nfs/dbraw/zinc/02/67/10/454026710.db2.gz MYSDQKVIGIUGHN-UHFFFAOYSA-N 1 2 328.803 3.055 20 30 EGEDLO N#C[C@H](C(=O)c1ccc(-n2cc[nH+]c2)cc1)c1cnc2ccccc2n1 ZINC000190930839 455408760 /nfs/dbraw/zinc/40/87/60/455408760.db2.gz DFIWUROGIRGGJL-INIZCTEOSA-N 1 2 339.358 3.306 20 30 EGEDLO Cc1cccc(C[NH+]2CCN(C(=O)C3(C#N)CCCCC3)CC2)c1 ZINC000057383794 454124338 /nfs/dbraw/zinc/12/43/38/454124338.db2.gz QSTUYVYWNRHETL-UHFFFAOYSA-N 1 2 325.456 3.113 20 30 EGEDLO C[C@H](c1nccs1)N1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000184661854 455423427 /nfs/dbraw/zinc/42/34/27/455423427.db2.gz RHHULZNAZXOCID-LSDHHAIUSA-N 1 2 326.469 3.455 20 30 EGEDLO COCC[N@H+](Cc1cn2cccc(C)c2n1)Cc1ccc(C#N)cc1 ZINC000058397746 454198211 /nfs/dbraw/zinc/19/82/11/454198211.db2.gz DBXNECBWNFXYDI-UHFFFAOYSA-N 1 2 334.423 3.163 20 30 EGEDLO COCC[N@@H+](Cc1cn2cccc(C)c2n1)Cc1ccc(C#N)cc1 ZINC000058397746 454198216 /nfs/dbraw/zinc/19/82/16/454198216.db2.gz DBXNECBWNFXYDI-UHFFFAOYSA-N 1 2 334.423 3.163 20 30 EGEDLO C=CCNC(=O)Nc1ccc(NCc2ccc(N(C)CC)[nH+]c2)cc1 ZINC000191061772 455434546 /nfs/dbraw/zinc/43/45/46/455434546.db2.gz PGMJDXRVZFSLKB-UHFFFAOYSA-N 1 2 339.443 3.457 20 30 EGEDLO C=CC[N@H+](Cc1cccs1)Cc1cc(=O)n2c(C)csc2n1 ZINC000060942810 454321948 /nfs/dbraw/zinc/32/19/48/454321948.db2.gz HNUSCSDGGMSALG-UHFFFAOYSA-N 1 2 331.466 3.314 20 30 EGEDLO C=CC[N@@H+](Cc1cccs1)Cc1cc(=O)n2c(C)csc2n1 ZINC000060942810 454321950 /nfs/dbraw/zinc/32/19/50/454321950.db2.gz HNUSCSDGGMSALG-UHFFFAOYSA-N 1 2 331.466 3.314 20 30 EGEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NCCc1ccc(Cl)cc1 ZINC000072691563 454327992 /nfs/dbraw/zinc/32/79/92/454327992.db2.gz AXDJJDIIAYTOPY-UHFFFAOYSA-N 1 2 335.879 3.260 20 30 EGEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NCCc1ccc(Cl)cc1 ZINC000072691563 454327998 /nfs/dbraw/zinc/32/79/98/454327998.db2.gz AXDJJDIIAYTOPY-UHFFFAOYSA-N 1 2 335.879 3.260 20 30 EGEDLO N#Cc1ccc(NC(=O)NCCc2cn3ccccc3[nH+]2)cc1Cl ZINC000079092095 454367275 /nfs/dbraw/zinc/36/72/75/454367275.db2.gz NKJOOCXKJPSIHY-UHFFFAOYSA-N 1 2 339.786 3.224 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[NH+]2C[C@H](C)S[C@@H](C)C2)c1C#N ZINC000091070770 454376132 /nfs/dbraw/zinc/37/61/32/454376132.db2.gz ZLPQIKHJXPCHSR-KBPBESRZSA-N 1 2 326.469 3.378 20 30 EGEDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000121138004 454397435 /nfs/dbraw/zinc/39/74/35/454397435.db2.gz PFIULJQXPPNJPI-ACJLOTCBSA-N 1 2 348.516 3.376 20 30 EGEDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000121138004 454397440 /nfs/dbraw/zinc/39/74/40/454397440.db2.gz PFIULJQXPPNJPI-ACJLOTCBSA-N 1 2 348.516 3.376 20 30 EGEDLO C=CC[N@@H+](C)CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 ZINC000121517628 454446064 /nfs/dbraw/zinc/44/60/64/454446064.db2.gz AHBXPUZGHPVTTR-GOSISDBHSA-N 1 2 337.423 3.384 20 30 EGEDLO C=CC[N@H+](C)CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 ZINC000121517628 454446068 /nfs/dbraw/zinc/44/60/68/454446068.db2.gz AHBXPUZGHPVTTR-GOSISDBHSA-N 1 2 337.423 3.384 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121577446 454453421 /nfs/dbraw/zinc/45/34/21/454453421.db2.gz DGJYESWTTTVTOZ-YLJYHZDGSA-N 1 2 330.472 3.047 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121577446 454453424 /nfs/dbraw/zinc/45/34/24/454453424.db2.gz DGJYESWTTTVTOZ-YLJYHZDGSA-N 1 2 330.472 3.047 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(C#N)ccc3F)CC2)c(F)c1 ZINC000101558429 454472614 /nfs/dbraw/zinc/47/26/14/454472614.db2.gz KSZRLAYRSFHRBJ-UHFFFAOYSA-N 1 2 338.361 3.030 20 30 EGEDLO C[N@H+](Cc1nnc2n1CCC2)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000079916687 454498989 /nfs/dbraw/zinc/49/89/89/454498989.db2.gz LBDZWDZZAADJRK-UHFFFAOYSA-N 1 2 343.434 3.395 20 30 EGEDLO C[N@@H+](Cc1nnc2n1CCC2)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000079916687 454498994 /nfs/dbraw/zinc/49/89/94/454498994.db2.gz LBDZWDZZAADJRK-UHFFFAOYSA-N 1 2 343.434 3.395 20 30 EGEDLO Cc1nc(CC(N)=[NH+]OCc2ccccc2C(C)(C)C#N)cs1 ZINC000134068296 454499254 /nfs/dbraw/zinc/49/92/54/454499254.db2.gz PWANBDQUTNJHPN-UHFFFAOYSA-N 1 2 328.441 3.284 20 30 EGEDLO CCc1noc(C)c1CO[NH+]=C(N)c1cccc(C(F)(F)F)c1 ZINC000122656451 454556223 /nfs/dbraw/zinc/55/62/23/454556223.db2.gz GGZBGQYWLZDAQZ-UHFFFAOYSA-N 1 2 327.306 3.401 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(OC)c2ccccc12)[C@H]1CCS(=O)(=O)C1 ZINC000092361689 454556663 /nfs/dbraw/zinc/55/66/63/454556663.db2.gz MCKSSXGBHQJESS-INIZCTEOSA-N 1 2 345.464 3.024 20 30 EGEDLO C=CC[N@H+](Cc1ccc(OC)c2ccccc12)[C@H]1CCS(=O)(=O)C1 ZINC000092361689 454556667 /nfs/dbraw/zinc/55/66/67/454556667.db2.gz MCKSSXGBHQJESS-INIZCTEOSA-N 1 2 345.464 3.024 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCc1ccc(COC)cc1)Cc1cccs1 ZINC000051824460 454638105 /nfs/dbraw/zinc/63/81/05/454638105.db2.gz BTAHSBQLNTUUMW-UHFFFAOYSA-N 1 2 344.480 3.199 20 30 EGEDLO C=CC[N@H+](CC(=O)NCc1ccc(COC)cc1)Cc1cccs1 ZINC000051824460 454638111 /nfs/dbraw/zinc/63/81/11/454638111.db2.gz BTAHSBQLNTUUMW-UHFFFAOYSA-N 1 2 344.480 3.199 20 30 EGEDLO Cc1ccc(-c2noc([C@@H](C)N3CC[NH+](CCCC#N)CC3)n2)cc1 ZINC000051899389 454641003 /nfs/dbraw/zinc/64/10/03/454641003.db2.gz DRRMQCCXCWFYTP-MRXNPFEDSA-N 1 2 339.443 3.027 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1sccc1C#N)c1cccc(F)c1 ZINC000052029430 454649291 /nfs/dbraw/zinc/64/92/91/454649291.db2.gz GRIFLGFJLMLYOK-AWEZNQCLSA-N 1 2 340.383 3.012 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1sccc1C#N)c1ccccc1F ZINC000052029432 454649420 /nfs/dbraw/zinc/64/94/20/454649420.db2.gz PEPYJSDFMPONIZ-CQSZACIVSA-N 1 2 340.383 3.012 20 30 EGEDLO C=CCCO[C@H](C)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000066320468 454683804 /nfs/dbraw/zinc/68/38/04/454683804.db2.gz SPCINFJWRHEXLP-ZIAGYGMSSA-N 1 2 337.489 3.295 20 30 EGEDLO C=CCCO[C@H](C)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000066320468 454683808 /nfs/dbraw/zinc/68/38/08/454683808.db2.gz SPCINFJWRHEXLP-ZIAGYGMSSA-N 1 2 337.489 3.295 20 30 EGEDLO C=CCCO[C@H](C)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000107179097 454745980 /nfs/dbraw/zinc/74/59/80/454745980.db2.gz HZSUOERVFDBVPJ-MRXNPFEDSA-N 1 2 331.460 3.059 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCOc1cccc(C)c1 ZINC000176993291 454809375 /nfs/dbraw/zinc/80/93/75/454809375.db2.gz SNIXVUYGDNOJET-LJQANCHMSA-N 1 2 338.407 3.092 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCOc1cccc(C)c1 ZINC000176993291 454809379 /nfs/dbraw/zinc/80/93/79/454809379.db2.gz SNIXVUYGDNOJET-LJQANCHMSA-N 1 2 338.407 3.092 20 30 EGEDLO C#CCN(C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C1CCCC1 ZINC000163072974 454820644 /nfs/dbraw/zinc/82/06/44/454820644.db2.gz QPPNBDSYTXMDCK-UHFFFAOYSA-N 1 2 340.471 3.159 20 30 EGEDLO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCOC3(CCC3)C2)cc1 ZINC000154061147 454862262 /nfs/dbraw/zinc/86/22/62/454862262.db2.gz YHHNIRSLNNFJRY-UHFFFAOYSA-N 1 2 325.330 3.192 20 30 EGEDLO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCOC3(CCC3)C2)cc1 ZINC000154061147 454862265 /nfs/dbraw/zinc/86/22/65/454862265.db2.gz YHHNIRSLNNFJRY-UHFFFAOYSA-N 1 2 325.330 3.192 20 30 EGEDLO C=CCOc1ccccc1C[NH2+][C@H](C(=O)NC1CC1)c1ccccc1 ZINC000111374787 454862643 /nfs/dbraw/zinc/86/26/43/454862643.db2.gz FDCKNRONMYICLW-FQEVSTJZSA-N 1 2 336.435 3.361 20 30 EGEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177769150 454902539 /nfs/dbraw/zinc/90/25/39/454902539.db2.gz ZLRSNAOTOCLBAM-UHFFFAOYSA-N 1 2 345.406 3.104 20 30 EGEDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000185002893 455485172 /nfs/dbraw/zinc/48/51/72/455485172.db2.gz BEUWGUHLMHBSOJ-SNVBAGLBSA-N 1 2 334.832 3.266 20 30 EGEDLO CC#CCNC(=O)c1ccccc1SCc1cn2ccccc2[nH+]1 ZINC000154528655 454905043 /nfs/dbraw/zinc/90/50/43/454905043.db2.gz RMNTXQZZKHFAML-UHFFFAOYSA-N 1 2 335.432 3.380 20 30 EGEDLO C=CCCCC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000177817064 454909346 /nfs/dbraw/zinc/90/93/46/454909346.db2.gz QVWCAPPEHVYUKE-GOSISDBHSA-N 1 2 330.472 3.092 20 30 EGEDLO C=CCCCC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000177817050 454909636 /nfs/dbraw/zinc/90/96/36/454909636.db2.gz QVWCAPPEHVYUKE-SFHVURJKSA-N 1 2 330.472 3.092 20 30 EGEDLO N#CC[N@@H+](C[C@@H](O)CO[C@H]1CCCc2ccccc21)C1CCCC1 ZINC000151125714 454941649 /nfs/dbraw/zinc/94/16/49/454941649.db2.gz KOQOEPVWPVPWRS-QUCCMNQESA-N 1 2 328.456 3.210 20 30 EGEDLO N#CC[N@H+](C[C@@H](O)CO[C@H]1CCCc2ccccc21)C1CCCC1 ZINC000151125714 454941652 /nfs/dbraw/zinc/94/16/52/454941652.db2.gz KOQOEPVWPVPWRS-QUCCMNQESA-N 1 2 328.456 3.210 20 30 EGEDLO C[C@@H]1C[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)[C@H]1c1ccccc1 ZINC000246464302 455494593 /nfs/dbraw/zinc/49/45/93/455494593.db2.gz NPPNZFGQZXEKND-XOKHGSTOSA-N 1 2 337.448 3.418 20 30 EGEDLO C[C@@H]1C[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)[C@H]1c1ccccc1 ZINC000246464302 455494595 /nfs/dbraw/zinc/49/45/95/455494595.db2.gz NPPNZFGQZXEKND-XOKHGSTOSA-N 1 2 337.448 3.418 20 30 EGEDLO CCN(CC#N)C(=O)c1ccccc1OCc1cn2cccc(C)c2[nH+]1 ZINC000154980954 454950723 /nfs/dbraw/zinc/95/07/23/454950723.db2.gz YDQCPZQLPBYUKQ-UHFFFAOYSA-N 1 2 348.406 3.207 20 30 EGEDLO CCOc1ccccc1C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000114725229 454973695 /nfs/dbraw/zinc/97/36/95/454973695.db2.gz PXFLEMNTQBJQQU-INIZCTEOSA-N 1 2 343.471 3.248 20 30 EGEDLO CCOc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000114725229 454973700 /nfs/dbraw/zinc/97/37/00/454973700.db2.gz PXFLEMNTQBJQQU-INIZCTEOSA-N 1 2 343.471 3.248 20 30 EGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000155288469 454983858 /nfs/dbraw/zinc/98/38/58/454983858.db2.gz DSFIKHSPLOIGKJ-SFHVURJKSA-N 1 2 338.480 3.403 20 30 EGEDLO CC(C)(C)n1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cn1 ZINC000155294479 454984110 /nfs/dbraw/zinc/98/41/10/454984110.db2.gz POOGETFFJBPNPC-LJQANCHMSA-N 1 2 337.471 3.021 20 30 EGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1Cc2ccccc2C1 ZINC000155533817 455013137 /nfs/dbraw/zinc/01/31/37/455013137.db2.gz NAEJGYKLMHFZBG-HNNXBMFYSA-N 1 2 337.398 3.477 20 30 EGEDLO N#Cc1ccc(CN(C(=O)NCCCNc2cccc[nH+]2)C2CC2)cc1 ZINC000171308836 455060536 /nfs/dbraw/zinc/06/05/36/455060536.db2.gz RBUNWLUPKIWSJR-UHFFFAOYSA-N 1 2 349.438 3.129 20 30 EGEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCn2cc[nH+]c2)cc1 ZINC000155963967 455067206 /nfs/dbraw/zinc/06/72/06/455067206.db2.gz AWGBFPCISWGMMK-UHFFFAOYSA-N 1 2 346.390 3.286 20 30 EGEDLO O=C1c2cc(F)cc(F)c2OC/C1=C\c1[nH+]ccn1CC(F)(F)F ZINC000171541193 455076520 /nfs/dbraw/zinc/07/65/20/455076520.db2.gz UQFRPNNOTAAGHG-FPYGCLRLSA-N 1 2 344.239 3.382 20 30 EGEDLO CC(C)([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1nccs1 ZINC000118848285 455114761 /nfs/dbraw/zinc/11/47/61/455114761.db2.gz DBNZXOSNAXYJGW-UHFFFAOYSA-N 1 2 334.832 3.132 20 30 EGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000156481504 455123617 /nfs/dbraw/zinc/12/36/17/455123617.db2.gz JMGJRTBQTXZOKO-IBGZPJMESA-N 1 2 327.378 3.347 20 30 EGEDLO N#CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCC1 ZINC000156709673 455145975 /nfs/dbraw/zinc/14/59/75/455145975.db2.gz ZJKVOERTCBRZEN-UHFFFAOYSA-N 1 2 330.819 3.308 20 30 EGEDLO N#CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCC1 ZINC000156709673 455145977 /nfs/dbraw/zinc/14/59/77/455145977.db2.gz ZJKVOERTCBRZEN-UHFFFAOYSA-N 1 2 330.819 3.308 20 30 EGEDLO Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000172396075 455150950 /nfs/dbraw/zinc/15/09/50/455150950.db2.gz OQQIJOURFGKFDR-QGZVFWFLSA-N 1 2 333.435 3.386 20 30 EGEDLO C[C@H](c1cccc(/N=C/c2cccc(O)c2O)c1)[NH+]1CCOCC1 ZINC000264186881 455194696 /nfs/dbraw/zinc/19/46/96/455194696.db2.gz NGQDQEQVCSTONL-GNUZOCDUSA-N 1 2 326.396 3.242 20 30 EGEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000157635538 455215041 /nfs/dbraw/zinc/21/50/41/455215041.db2.gz CVXQMCMXQJZCLG-RYUDHWBXSA-N 1 2 343.349 3.394 20 30 EGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000157635538 455215043 /nfs/dbraw/zinc/21/50/43/455215043.db2.gz CVXQMCMXQJZCLG-RYUDHWBXSA-N 1 2 343.349 3.394 20 30 EGEDLO CCC[C@@H](CN(CCC#N)CC[NH+]1CCOCC1)c1ccccc1 ZINC000183373232 455283855 /nfs/dbraw/zinc/28/38/55/455283855.db2.gz JHQSORUGKYVQPD-FQEVSTJZSA-N 1 2 329.488 3.118 20 30 EGEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1nc(N)c2ccccc2n1 ZINC000181152558 455296321 /nfs/dbraw/zinc/29/63/21/455296321.db2.gz VYDKRVKBWQBNMW-UHFFFAOYSA-N 1 2 329.407 3.272 20 30 EGEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1nc(N)c2ccccc2n1 ZINC000181152558 455296326 /nfs/dbraw/zinc/29/63/26/455296326.db2.gz VYDKRVKBWQBNMW-UHFFFAOYSA-N 1 2 329.407 3.272 20 30 EGEDLO C[C@@H](c1ccc(C#N)cc1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000265520328 455337688 /nfs/dbraw/zinc/33/76/88/455337688.db2.gz NXVRBALMDDJYDI-KRWDZBQOSA-N 1 2 330.435 3.309 20 30 EGEDLO CSCCCO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000174131370 455362550 /nfs/dbraw/zinc/36/25/50/455362550.db2.gz FEGIGVGBHXRFTI-UHFFFAOYSA-N 1 2 331.441 3.051 20 30 EGEDLO COc1ccc(-c2nc(CO[NH+]=C(N)[C@@H](C)OCC(C)C)co2)cc1 ZINC000174227481 455371848 /nfs/dbraw/zinc/37/18/48/455371848.db2.gz BWSVIMDLJMBEMO-CYBMUJFWSA-N 1 2 347.415 3.200 20 30 EGEDLO CC[N@H+](C[C@H](C)C#N)[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000245808619 455381856 /nfs/dbraw/zinc/38/18/56/455381856.db2.gz QMKCVHQCIZUZLT-DOMZBBRYSA-N 1 2 339.361 3.292 20 30 EGEDLO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000245808619 455381857 /nfs/dbraw/zinc/38/18/57/455381857.db2.gz QMKCVHQCIZUZLT-DOMZBBRYSA-N 1 2 339.361 3.292 20 30 EGEDLO C=C(Br)C[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000185087315 455499064 /nfs/dbraw/zinc/49/90/64/455499064.db2.gz RRQRPEBRKBBRKA-SECBINFHSA-N 1 2 326.169 3.435 20 30 EGEDLO Oc1ccc(N2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)cc1 ZINC000161026421 455524733 /nfs/dbraw/zinc/52/47/33/455524733.db2.gz OCWLDYGBIKCXCY-UHFFFAOYSA-N 1 2 326.827 3.219 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000185264697 455530721 /nfs/dbraw/zinc/53/07/21/455530721.db2.gz AVFOANPTBNEBIE-GJZGRUSLSA-N 1 2 346.475 3.357 20 30 EGEDLO Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)c(F)c2)c1C ZINC000191924070 455531912 /nfs/dbraw/zinc/53/19/12/455531912.db2.gz MDBMGYFAICYEEG-UHFFFAOYSA-N 1 2 325.387 3.385 20 30 EGEDLO Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(C#N)c(F)c2)c1C ZINC000191924070 455531917 /nfs/dbraw/zinc/53/19/17/455531917.db2.gz MDBMGYFAICYEEG-UHFFFAOYSA-N 1 2 325.387 3.385 20 30 EGEDLO O=C(C#Cc1ccccc1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000176094565 455539555 /nfs/dbraw/zinc/53/95/55/455539555.db2.gz WFJQSRIFZPRPQX-UHFFFAOYSA-N 1 2 325.437 3.119 20 30 EGEDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000161255122 455553144 /nfs/dbraw/zinc/55/31/44/455553144.db2.gz KKPRDHZPTAVEKX-GOSISDBHSA-N 1 2 330.428 3.287 20 30 EGEDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000161255122 455553148 /nfs/dbraw/zinc/55/31/48/455553148.db2.gz KKPRDHZPTAVEKX-GOSISDBHSA-N 1 2 330.428 3.287 20 30 EGEDLO COc1ccc(C#N)cc1NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000267985022 455574469 /nfs/dbraw/zinc/57/44/69/455574469.db2.gz IJZRHGWWFKCDSW-AWEZNQCLSA-N 1 2 325.372 3.049 20 30 EGEDLO C=CCCCS(=O)(=O)N(Cc1ccc(OC)cc1)c1cc[nH+]cc1 ZINC000292546377 455692642 /nfs/dbraw/zinc/69/26/42/455692642.db2.gz JWAMTGAZWFNBKF-UHFFFAOYSA-N 1 2 346.452 3.393 20 30 EGEDLO C=CCCCS(=O)(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000292611614 455711822 /nfs/dbraw/zinc/71/18/22/455711822.db2.gz NWDUBXGLIXWOBI-INIZCTEOSA-N 1 2 347.484 3.105 20 30 EGEDLO N#CCCCC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000292681719 455730299 /nfs/dbraw/zinc/73/02/99/455730299.db2.gz RAKQHNJOGQQDDT-OAHLLOKOSA-N 1 2 337.826 3.426 20 30 EGEDLO Cc1cc(C#N)ccc1C[NH+]1CCN([C@H](C)c2nccs2)CC1 ZINC000186332234 455744887 /nfs/dbraw/zinc/74/48/87/455744887.db2.gz FWQGBHKBRPMEFG-OAHLLOKOSA-N 1 2 326.469 3.202 20 30 EGEDLO C=CCC(C)(C)CNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000292903664 455766104 /nfs/dbraw/zinc/76/61/04/455766104.db2.gz WKFVSRCMCXHDAR-MRXNPFEDSA-N 1 2 330.476 3.072 20 30 EGEDLO C=CCc1cc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cc(OC)c1O ZINC000294032682 455804229 /nfs/dbraw/zinc/80/42/29/455804229.db2.gz OIYNHOFRGNLHCG-VQTJNVASSA-N 1 2 329.440 3.273 20 30 EGEDLO C=CCc1cc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cc(OC)c1O ZINC000294032682 455804235 /nfs/dbraw/zinc/80/42/35/455804235.db2.gz OIYNHOFRGNLHCG-VQTJNVASSA-N 1 2 329.440 3.273 20 30 EGEDLO CCc1ncc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)s1 ZINC000269345899 455839389 /nfs/dbraw/zinc/83/93/89/455839389.db2.gz IBBMFTJBEDMTCS-QGZVFWFLSA-N 1 2 326.469 3.088 20 30 EGEDLO C=CCOc1ccc(C[NH2+]Cc2csc(N(CC)C(C)=O)n2)cc1 ZINC000285498236 455858547 /nfs/dbraw/zinc/85/85/47/455858547.db2.gz JCFNNMYRDDWWSX-UHFFFAOYSA-N 1 2 345.468 3.371 20 30 EGEDLO N#CCCN(C(=O)C[N@@H+]1CCC=C(c2cccnc2)C1)c1ccccc1 ZINC000295990891 455865544 /nfs/dbraw/zinc/86/55/44/455865544.db2.gz PBJLSMMZXBYMJA-UHFFFAOYSA-N 1 2 346.434 3.118 20 30 EGEDLO N#CCCN(C(=O)C[N@H+]1CCC=C(c2cccnc2)C1)c1ccccc1 ZINC000295990891 455865551 /nfs/dbraw/zinc/86/55/51/455865551.db2.gz PBJLSMMZXBYMJA-UHFFFAOYSA-N 1 2 346.434 3.118 20 30 EGEDLO C=CCOc1ccc(CC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc1 ZINC000296024157 455866131 /nfs/dbraw/zinc/86/61/31/455866131.db2.gz XJLJVHQCFACVGE-GOSISDBHSA-N 1 2 339.439 3.137 20 30 EGEDLO C=CCCCCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000280129576 455898658 /nfs/dbraw/zinc/89/86/58/455898658.db2.gz VVTKYSRVTZWHQB-UHFFFAOYSA-N 1 2 330.476 3.465 20 30 EGEDLO C=C(C)[C@@H]([NH2+]Cc1cn(C)nc1C(=O)OCC)c1ccc(F)c(F)c1 ZINC000187444317 455910851 /nfs/dbraw/zinc/91/08/51/455910851.db2.gz KHPVUQFSOMEFFW-MRXNPFEDSA-N 1 2 349.381 3.282 20 30 EGEDLO CCCCCCCS(=O)(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000195078265 455919152 /nfs/dbraw/zinc/91/91/52/455919152.db2.gz PRVGILKEKCTSJI-UHFFFAOYSA-N 1 2 339.505 3.072 20 30 EGEDLO C=CC[C@H](C(=O)N1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000187595441 455929245 /nfs/dbraw/zinc/92/92/45/455929245.db2.gz OWUJZJFGACUQII-FQEVSTJZSA-N 1 2 335.451 3.086 20 30 EGEDLO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ncc(C(F)(F)F)cn2)cc1 ZINC000296413556 455932019 /nfs/dbraw/zinc/93/20/19/455932019.db2.gz KZZUMKXIIONHBW-GFCCVEGCSA-N 1 2 335.329 3.358 20 30 EGEDLO COC(=O)c1nc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2)sc1C ZINC000280508968 455987043 /nfs/dbraw/zinc/98/70/43/455987043.db2.gz RFDSPPOLRJMXMD-HNNXBMFYSA-N 1 2 341.436 3.447 20 30 EGEDLO COC(=O)c1nc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)sc1C ZINC000280508968 455987049 /nfs/dbraw/zinc/98/70/49/455987049.db2.gz RFDSPPOLRJMXMD-HNNXBMFYSA-N 1 2 341.436 3.447 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(C)(C#N)CC2)c1 ZINC000272608498 456012383 /nfs/dbraw/zinc/01/23/83/456012383.db2.gz SAJPEJHDGZEGDW-UHFFFAOYSA-N 1 2 338.455 3.176 20 30 EGEDLO C=CC[C@H](CC)NC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000280929066 456086038 /nfs/dbraw/zinc/08/60/38/456086038.db2.gz FUJAHDKSKFDLKO-HOTGVXAUSA-N 1 2 330.407 3.303 20 30 EGEDLO Cc1ccc([C@@H]([NH2+]Cc2ccccc2C#N)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280935082 456087025 /nfs/dbraw/zinc/08/70/25/456087025.db2.gz VLXKSTZNYKIJFZ-BEFAXECRSA-N 1 2 342.464 3.131 20 30 EGEDLO N#Cc1c(NCc2cc[nH+]c(N3CCCCC3)c2)nc2ccccn21 ZINC000272887344 456102015 /nfs/dbraw/zinc/10/20/15/456102015.db2.gz IQEBDHPRNRJJGT-UHFFFAOYSA-N 1 2 332.411 3.203 20 30 EGEDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)OC(C)C)cc1OCCCC#N ZINC000271201498 456169478 /nfs/dbraw/zinc/16/94/78/456169478.db2.gz XJUDFLRAQYRVSF-HNNXBMFYSA-N 1 2 348.443 3.150 20 30 EGEDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)C)cc1OCCCC#N ZINC000271201498 456169484 /nfs/dbraw/zinc/16/94/84/456169484.db2.gz XJUDFLRAQYRVSF-HNNXBMFYSA-N 1 2 348.443 3.150 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000263764972 456216239 /nfs/dbraw/zinc/21/62/39/456216239.db2.gz VMQYGFWUEGHBDS-MGPUTAFESA-N 1 2 349.434 3.131 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000263764972 456216244 /nfs/dbraw/zinc/21/62/44/456216244.db2.gz VMQYGFWUEGHBDS-MGPUTAFESA-N 1 2 349.434 3.131 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)c2nc3ccccc3n2C(F)F)C1=O ZINC000281518954 456255514 /nfs/dbraw/zinc/25/55/14/456255514.db2.gz ZFQBHOHMIXBPBI-DOMZBBRYSA-N 1 2 348.397 3.211 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)c2nc3ccccc3n2C(F)F)C1=O ZINC000281518954 456255519 /nfs/dbraw/zinc/25/55/19/456255519.db2.gz ZFQBHOHMIXBPBI-DOMZBBRYSA-N 1 2 348.397 3.211 20 30 EGEDLO C#Cc1ccccc1CC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000290339075 456297787 /nfs/dbraw/zinc/29/77/87/456297787.db2.gz XGWXWBLFHXABRI-QGZVFWFLSA-N 1 2 348.446 3.242 20 30 EGEDLO C=C[C@@](C)(O)CC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000290357161 456303736 /nfs/dbraw/zinc/30/37/36/456303736.db2.gz GGKIYITVNQWYTA-LJQANCHMSA-N 1 2 325.412 3.152 20 30 EGEDLO N#Cc1cccc(C2(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)CC2)c1 ZINC000347695320 456310803 /nfs/dbraw/zinc/31/08/03/456310803.db2.gz KACDSXIQZZDRTC-UHFFFAOYSA-N 1 2 342.402 3.222 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccccc1C ZINC000352800707 456320225 /nfs/dbraw/zinc/32/02/25/456320225.db2.gz HURWNFZGIYQUEI-MRXNPFEDSA-N 1 2 342.439 3.486 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccccc1C ZINC000352800707 456320229 /nfs/dbraw/zinc/32/02/29/456320229.db2.gz HURWNFZGIYQUEI-MRXNPFEDSA-N 1 2 342.439 3.486 20 30 EGEDLO C[NH+](C)[C@H](CNc1cc(C#N)ccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000302222440 456321984 /nfs/dbraw/zinc/32/19/84/456321984.db2.gz SUIGNKIVTGDMQD-MRXNPFEDSA-N 1 2 346.337 3.459 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000352865629 456374363 /nfs/dbraw/zinc/37/43/63/456374363.db2.gz DCAAAVYYUXBHRA-INIZCTEOSA-N 1 2 342.439 3.202 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000352865629 456374366 /nfs/dbraw/zinc/37/43/66/456374366.db2.gz DCAAAVYYUXBHRA-INIZCTEOSA-N 1 2 342.439 3.202 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)N1C[C@H](C)C[C@@H](C)C1)Cc1cnn(C(C)C)c1 ZINC000352924278 456416839 /nfs/dbraw/zinc/41/68/39/456416839.db2.gz YXCJTRDTBXEYMG-QZTJIDSGSA-N 1 2 346.519 3.347 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)N1C[C@H](C)C[C@@H](C)C1)Cc1cnn(C(C)C)c1 ZINC000352924278 456416846 /nfs/dbraw/zinc/41/68/46/456416846.db2.gz YXCJTRDTBXEYMG-QZTJIDSGSA-N 1 2 346.519 3.347 20 30 EGEDLO COc1cc(C[N@@H+]2CCO[C@H](c3ccccc3F)C2)ccc1C#N ZINC000282333275 456479836 /nfs/dbraw/zinc/47/98/36/456479836.db2.gz OFUVVCQXHLSLOL-IBGZPJMESA-N 1 2 326.371 3.279 20 30 EGEDLO COc1cc(C[N@H+]2CCO[C@H](c3ccccc3F)C2)ccc1C#N ZINC000282333275 456479844 /nfs/dbraw/zinc/47/98/44/456479844.db2.gz OFUVVCQXHLSLOL-IBGZPJMESA-N 1 2 326.371 3.279 20 30 EGEDLO N#Cc1ccc(C2=CCN(c3cc(NCC4CC4)[nH+]cn3)CC2)cc1 ZINC000348123057 456499870 /nfs/dbraw/zinc/49/98/70/456499870.db2.gz XXZJLMDWENXGPP-UHFFFAOYSA-N 1 2 331.423 3.464 20 30 EGEDLO N#Cc1ccc(C2=CCN(c3cc(NCC4CC4)nc[nH+]3)CC2)cc1 ZINC000348123057 456499874 /nfs/dbraw/zinc/49/98/74/456499874.db2.gz XXZJLMDWENXGPP-UHFFFAOYSA-N 1 2 331.423 3.464 20 30 EGEDLO Cn1ncc2c1nc[nH+]c2NC1CCC(Oc2ccccc2C#N)CC1 ZINC000337937066 456610417 /nfs/dbraw/zinc/61/04/17/456610417.db2.gz PQUMMPZUJVHMPB-UHFFFAOYSA-N 1 2 348.410 3.037 20 30 EGEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000348315328 456617700 /nfs/dbraw/zinc/61/77/00/456617700.db2.gz IRMWAYHKKBPBIE-SFHVURJKSA-N 1 2 326.831 3.117 20 30 EGEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000348315327 456617952 /nfs/dbraw/zinc/61/79/52/456617952.db2.gz IRMWAYHKKBPBIE-GOSISDBHSA-N 1 2 326.831 3.117 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000299290556 456649961 /nfs/dbraw/zinc/64/99/61/456649961.db2.gz GGXMITDZHXJEPY-CZUORRHYSA-N 1 2 347.846 3.260 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]2CCNC(=O)C2)C[C@H](C)O1 ZINC000328695604 456739727 /nfs/dbraw/zinc/73/97/27/456739727.db2.gz TWMCBXQLOXFFFQ-QLFBSQMISA-N 1 2 345.443 3.250 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]2CCNC(=O)C2)C[C@H](C)O1 ZINC000328695604 456739734 /nfs/dbraw/zinc/73/97/34/456739734.db2.gz TWMCBXQLOXFFFQ-QLFBSQMISA-N 1 2 345.443 3.250 20 30 EGEDLO CC1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CC1 ZINC000328769391 456757578 /nfs/dbraw/zinc/75/75/78/456757578.db2.gz IKJVWFADSHHYRC-KRWDZBQOSA-N 1 2 346.475 3.116 20 30 EGEDLO CC1CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CC1 ZINC000328769391 456757584 /nfs/dbraw/zinc/75/75/84/456757584.db2.gz IKJVWFADSHHYRC-KRWDZBQOSA-N 1 2 346.475 3.116 20 30 EGEDLO C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000328919533 456791160 /nfs/dbraw/zinc/79/11/60/456791160.db2.gz LMFQIKWQRXTIAR-QGPMSJSTSA-N 1 2 338.455 3.447 20 30 EGEDLO C[C@@H]1CCC[C@H](NC(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)[C@@H]1C ZINC000328956609 456800140 /nfs/dbraw/zinc/80/01/40/456800140.db2.gz JFCFQUHZJLQMPR-JHNDHUHGSA-N 1 2 348.491 3.216 20 30 EGEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000348679021 456814249 /nfs/dbraw/zinc/81/42/49/456814249.db2.gz YQBKCPPRPCIDRR-HNNXBMFYSA-N 1 2 345.406 3.317 20 30 EGEDLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c(F)c1 ZINC000329025982 456816814 /nfs/dbraw/zinc/81/68/14/456816814.db2.gz JRCGQIIGULBEBY-ZDUSSCGKSA-N 1 2 344.390 3.472 20 30 EGEDLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c(F)c1 ZINC000329025982 456816822 /nfs/dbraw/zinc/81/68/22/456816822.db2.gz JRCGQIIGULBEBY-ZDUSSCGKSA-N 1 2 344.390 3.472 20 30 EGEDLO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329067059 456827063 /nfs/dbraw/zinc/82/70/63/456827063.db2.gz LSNRFGGVPNQDGK-VQIMIIECSA-N 1 2 336.476 3.103 20 30 EGEDLO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329067059 456827069 /nfs/dbraw/zinc/82/70/69/456827069.db2.gz LSNRFGGVPNQDGK-VQIMIIECSA-N 1 2 336.476 3.103 20 30 EGEDLO Cc1ccsc1CCNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000329337212 456874748 /nfs/dbraw/zinc/87/47/48/456874748.db2.gz YFGFZRQRJZLEOY-ZFWWWQNUSA-N 1 2 332.473 3.293 20 30 EGEDLO Cc1ccsc1CC[NH+]=C([O-])N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000329337212 456874751 /nfs/dbraw/zinc/87/47/51/456874751.db2.gz YFGFZRQRJZLEOY-ZFWWWQNUSA-N 1 2 332.473 3.293 20 30 EGEDLO Cc1cccc2c1OCC[C@H]2NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329343264 456876608 /nfs/dbraw/zinc/87/66/08/456876608.db2.gz PZEUHLAKLDACEA-QZTJIDSGSA-N 1 2 344.455 3.419 20 30 EGEDLO Cc1cccc2c1OCC[C@H]2NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329343264 456876610 /nfs/dbraw/zinc/87/66/10/456876610.db2.gz PZEUHLAKLDACEA-QZTJIDSGSA-N 1 2 344.455 3.419 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000348869156 456884582 /nfs/dbraw/zinc/88/45/82/456884582.db2.gz MFAQDAXVUDLVKO-UHFFFAOYSA-N 1 2 343.475 3.072 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000348869156 456884585 /nfs/dbraw/zinc/88/45/85/456884585.db2.gz MFAQDAXVUDLVKO-UHFFFAOYSA-N 1 2 343.475 3.072 20 30 EGEDLO Cc1nnc([C@H]2CCC[N@H+](CC(=O)Nc3cccc(C)c3C)C2)[nH]1 ZINC000329444578 456891060 /nfs/dbraw/zinc/89/10/60/456891060.db2.gz LQGUGDVEXCZCAE-HNNXBMFYSA-N 1 2 327.432 3.198 20 30 EGEDLO Cc1nnc([C@H]2CCC[N@@H+](CC(=O)Nc3cccc(C)c3C)C2)[nH]1 ZINC000329444578 456891064 /nfs/dbraw/zinc/89/10/64/456891064.db2.gz LQGUGDVEXCZCAE-HNNXBMFYSA-N 1 2 327.432 3.198 20 30 EGEDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC(=O)Nc3cccc(C)c3C)C2)n1 ZINC000329444578 456891067 /nfs/dbraw/zinc/89/10/67/456891067.db2.gz LQGUGDVEXCZCAE-HNNXBMFYSA-N 1 2 327.432 3.198 20 30 EGEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC(=O)Nc3cccc(C)c3C)C2)n1 ZINC000329444578 456891070 /nfs/dbraw/zinc/89/10/70/456891070.db2.gz LQGUGDVEXCZCAE-HNNXBMFYSA-N 1 2 327.432 3.198 20 30 EGEDLO Cc1nc([C@H]2CCC[N@H+](CC(=O)Nc3cccc(C)c3C)C2)n[nH]1 ZINC000329444578 456891076 /nfs/dbraw/zinc/89/10/76/456891076.db2.gz LQGUGDVEXCZCAE-HNNXBMFYSA-N 1 2 327.432 3.198 20 30 EGEDLO Cc1nc([C@H]2CCC[N@@H+](CC(=O)Nc3cccc(C)c3C)C2)n[nH]1 ZINC000329444578 456891081 /nfs/dbraw/zinc/89/10/81/456891081.db2.gz LQGUGDVEXCZCAE-HNNXBMFYSA-N 1 2 327.432 3.198 20 30 EGEDLO C=CCOCC[NH+]1CCN(C(=O)c2sc3ccccc3c2C)CC1 ZINC000339005497 456895658 /nfs/dbraw/zinc/89/56/58/456895658.db2.gz RXPSHANWJQPYHQ-UHFFFAOYSA-N 1 2 344.480 3.170 20 30 EGEDLO C[C@@H](C(=O)Nc1csc(-c2ccccn2)n1)[NH+]1CCSCC1 ZINC000329564853 456909546 /nfs/dbraw/zinc/90/95/46/456909546.db2.gz OACIZHQLDMTWHO-NSHDSACASA-N 1 2 334.470 3.230 20 30 EGEDLO C[C@H](C(=O)Nc1csc(-c2ccccn2)n1)[NH+]1CCSCC1 ZINC000329564852 456910059 /nfs/dbraw/zinc/91/00/59/456910059.db2.gz OACIZHQLDMTWHO-LLVKDONJSA-N 1 2 334.470 3.230 20 30 EGEDLO Cc1nc(C2CC2)oc1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000329721129 456931318 /nfs/dbraw/zinc/93/13/18/456931318.db2.gz ARBHLQNEDXPPLV-UHFFFAOYSA-N 1 2 326.400 3.360 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@H+](CCOc3cccc(F)c3)CCO2)c1 ZINC000341806013 456952431 /nfs/dbraw/zinc/95/24/31/456952431.db2.gz GDPQVEFOZVLJEE-LJQANCHMSA-N 1 2 326.371 3.150 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@@H+](CCOc3cccc(F)c3)CCO2)c1 ZINC000341806013 456952435 /nfs/dbraw/zinc/95/24/35/456952435.db2.gz GDPQVEFOZVLJEE-LJQANCHMSA-N 1 2 326.371 3.150 20 30 EGEDLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)sc1C ZINC000329942352 456964707 /nfs/dbraw/zinc/96/47/07/456964707.db2.gz HEWRNTWJEBJHTD-FTYKPCCVSA-N 1 2 336.461 3.372 20 30 EGEDLO Cc1nc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)sc1C ZINC000329942352 456964709 /nfs/dbraw/zinc/96/47/09/456964709.db2.gz HEWRNTWJEBJHTD-FTYKPCCVSA-N 1 2 336.461 3.372 20 30 EGEDLO CCN1CCN(C(=O)Nc2cc(Cl)ccc2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330059237 456979783 /nfs/dbraw/zinc/97/97/83/456979783.db2.gz KPVIOCVAPABDDU-OAHLLOKOSA-N 1 2 347.850 3.296 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000330152893 456992812 /nfs/dbraw/zinc/99/28/12/456992812.db2.gz MIDKQRXCXOQDIV-SGNPGRMLSA-N 1 2 338.492 3.036 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000330152893 456992816 /nfs/dbraw/zinc/99/28/16/456992816.db2.gz MIDKQRXCXOQDIV-SGNPGRMLSA-N 1 2 338.492 3.036 20 30 EGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H]1CCCC(F)(F)C1)C2 ZINC000330223163 457006230 /nfs/dbraw/zinc/00/62/30/457006230.db2.gz MYFLAAJNVLUXCN-GFCCVEGCSA-N 1 2 340.418 3.394 20 30 EGEDLO C[C@H](CC#N)[N@H+](C)C[C@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000345945767 457008330 /nfs/dbraw/zinc/00/83/30/457008330.db2.gz GEWOBQPFAXAIBX-SJORKVTESA-N 1 2 340.423 3.453 20 30 EGEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000345945767 457008335 /nfs/dbraw/zinc/00/83/35/457008335.db2.gz GEWOBQPFAXAIBX-SJORKVTESA-N 1 2 340.423 3.453 20 30 EGEDLO CC(C)(C)c1nnc(NC(=O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)s1 ZINC000330265953 457015689 /nfs/dbraw/zinc/01/56/89/457015689.db2.gz ZYMMSAHHMSOQIL-LKFCYVNXSA-N 1 2 344.431 3.401 20 30 EGEDLO CC(C)(C)c1nnc(NC(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)s1 ZINC000330265953 457015696 /nfs/dbraw/zinc/01/56/96/457015696.db2.gz ZYMMSAHHMSOQIL-LKFCYVNXSA-N 1 2 344.431 3.401 20 30 EGEDLO C=CCN(Cc1ccccc1F)C(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000339266712 457029920 /nfs/dbraw/zinc/02/99/20/457029920.db2.gz YUMCCOOBNYWUER-IEBWSBKVSA-N 1 2 348.462 3.230 20 30 EGEDLO C=CCN(Cc1ccccc1F)C(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000339266712 457029924 /nfs/dbraw/zinc/02/99/24/457029924.db2.gz YUMCCOOBNYWUER-IEBWSBKVSA-N 1 2 348.462 3.230 20 30 EGEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CC2(CCC2)[C@H]1c1ccccc1 ZINC000330346567 457033329 /nfs/dbraw/zinc/03/33/29/457033329.db2.gz GSUBRQWBPYTRLM-CRAIPNDOSA-N 1 2 336.439 3.408 20 30 EGEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CC2(CCC2)[C@H]1c1ccccc1 ZINC000330346567 457033335 /nfs/dbraw/zinc/03/33/35/457033335.db2.gz GSUBRQWBPYTRLM-CRAIPNDOSA-N 1 2 336.439 3.408 20 30 EGEDLO COCC1(C#N)CC[NH+]([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)CC1 ZINC000341977010 457037181 /nfs/dbraw/zinc/03/71/81/457037181.db2.gz LXDUYKFWZXIPPH-HNNXBMFYSA-N 1 2 340.427 3.358 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2ncc(-c3ccc(C)cc3)o2)CC1 ZINC000341990752 457045399 /nfs/dbraw/zinc/04/53/99/457045399.db2.gz MZECQDBCWMRKRY-UHFFFAOYSA-N 1 2 325.412 3.402 20 30 EGEDLO C=CCOc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000359090813 457052787 /nfs/dbraw/zinc/05/27/87/457052787.db2.gz AQHUQSXBKLOXFY-UHFFFAOYSA-N 1 2 333.391 3.367 20 30 EGEDLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000339323278 457056239 /nfs/dbraw/zinc/05/62/39/457056239.db2.gz YGBSGOZCGOVXMG-CQSZACIVSA-N 1 2 325.387 3.007 20 30 EGEDLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000339323278 457056242 /nfs/dbraw/zinc/05/62/42/457056242.db2.gz YGBSGOZCGOVXMG-CQSZACIVSA-N 1 2 325.387 3.007 20 30 EGEDLO CCNc1ccc(C#N)cc1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000354098588 457060416 /nfs/dbraw/zinc/06/04/16/457060416.db2.gz YPKFRHOTBILOKN-GOEBONIOSA-N 1 2 349.438 3.096 20 30 EGEDLO COc1ccc(C#N)cc1C[N@@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000330701053 457073298 /nfs/dbraw/zinc/07/32/98/457073298.db2.gz YUKXEWMRUKTCKO-UHFFFAOYSA-N 1 2 343.471 3.036 20 30 EGEDLO COc1ccc(C#N)cc1C[N@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000330701053 457073303 /nfs/dbraw/zinc/07/33/03/457073303.db2.gz YUKXEWMRUKTCKO-UHFFFAOYSA-N 1 2 343.471 3.036 20 30 EGEDLO Cc1cc(NC(=O)N[C@H](C)CCCO)c[nH+]c1N1CCCC[C@H]1C ZINC000330783497 457085228 /nfs/dbraw/zinc/08/52/28/457085228.db2.gz QPSCNCGMXYOXFH-HUUCEWRRSA-N 1 2 334.464 3.256 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000349872011 457088773 /nfs/dbraw/zinc/08/87/73/457088773.db2.gz IUQFGTVZPHIKFH-CQSZACIVSA-N 1 2 345.834 3.012 20 30 EGEDLO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2COc3cc(F)cc(F)c32)cc1 ZINC000359864454 457135158 /nfs/dbraw/zinc/13/51/58/457135158.db2.gz CKESINCIXSUYBH-ZBEGNZNMSA-N 1 2 330.334 3.479 20 30 EGEDLO COc1cc(Cl)c(Cl)cc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000331148624 457139441 /nfs/dbraw/zinc/13/94/41/457139441.db2.gz ZCCZVDVBKKSZSA-JTQLQIEISA-N 1 2 347.242 3.027 20 30 EGEDLO COc1cc(Cl)c(Cl)cc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000331148624 457139445 /nfs/dbraw/zinc/13/94/45/457139445.db2.gz ZCCZVDVBKKSZSA-JTQLQIEISA-N 1 2 347.242 3.027 20 30 EGEDLO C=CC[C@@H](CO)CNC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000342167852 457146160 /nfs/dbraw/zinc/14/61/60/457146160.db2.gz UYFLVZQHTYVYRQ-OAHLLOKOSA-N 1 2 326.396 3.097 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1c1nc(Cn2c(CC)[nH+]c3ccccc32)no1 ZINC000347040836 457198937 /nfs/dbraw/zinc/19/89/37/457198937.db2.gz BHNPYECHOYHUCE-UGSOOPFHSA-N 1 2 338.411 3.479 20 30 EGEDLO C=CCCCCNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000351683900 457311285 /nfs/dbraw/zinc/31/12/85/457311285.db2.gz FYCBJVGJGOACDT-UHFFFAOYSA-N 1 2 326.444 3.129 20 30 EGEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000351685685 457313229 /nfs/dbraw/zinc/31/32/29/457313229.db2.gz NPTJUMABARPEDY-KRWDZBQOSA-N 1 2 344.418 3.493 20 30 EGEDLO Cn1cc[nH+]c1CNC(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000351712596 457314606 /nfs/dbraw/zinc/31/46/06/457314606.db2.gz QGNLOMJCASRFDY-UHFFFAOYSA-N 1 2 330.391 3.142 20 30 EGEDLO COC(=O)C[C@@](C)([NH2+]CC#Cc1cccc(Cl)c1)c1ccccn1 ZINC000351818310 457318325 /nfs/dbraw/zinc/31/83/25/457318325.db2.gz YROHCLWRUWUMEJ-LJQANCHMSA-N 1 2 342.826 3.155 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H](C#N)c1ccc(F)cc1 ZINC000355469340 457376771 /nfs/dbraw/zinc/37/67/71/457376771.db2.gz IQMUUMPGVZCKID-QGZVFWFLSA-N 1 2 336.370 3.255 20 30 EGEDLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352484687 457403979 /nfs/dbraw/zinc/40/39/79/457403979.db2.gz SEJCGMUIUQGNJX-CQSZACIVSA-N 1 2 331.435 3.466 20 30 EGEDLO C[C@@H](Cn1cc[nH+]c1)Nc1c(C#N)cnc2c(F)ccc(Cl)c21 ZINC000357310231 457438592 /nfs/dbraw/zinc/43/85/92/457438592.db2.gz GKFCUZYBPBSHMQ-JTQLQIEISA-N 1 2 329.766 3.018 20 30 EGEDLO C[C@H]1[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CCOC1(C)C ZINC000357316433 457441144 /nfs/dbraw/zinc/44/11/44/457441144.db2.gz NLBPOVQCWFNYRB-CQSZACIVSA-N 1 2 349.862 3.086 20 30 EGEDLO C[C@H]1[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CCOC1(C)C ZINC000357316433 457441146 /nfs/dbraw/zinc/44/11/46/457441146.db2.gz NLBPOVQCWFNYRB-CQSZACIVSA-N 1 2 349.862 3.086 20 30 EGEDLO N#CCC1(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000374042444 457453717 /nfs/dbraw/zinc/45/37/17/457453717.db2.gz WFJHCSINKIPZOH-QZTJIDSGSA-N 1 2 349.438 3.105 20 30 EGEDLO N#CCC1CC[NH+](CC(=O)Nc2ccccc2Br)CC1 ZINC000397144213 457483600 /nfs/dbraw/zinc/48/36/00/457483600.db2.gz JKDJCEYIGNVGLE-UHFFFAOYSA-N 1 2 336.233 3.013 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425306167 457490402 /nfs/dbraw/zinc/49/04/02/457490402.db2.gz RUJLECCSGMJZED-AOIWGVFYSA-N 1 2 339.439 3.029 20 30 EGEDLO Cc1cc(F)cc2c1ncc(C#N)c2NCc1ccn2cc[nH+]c2c1 ZINC000357421594 457514743 /nfs/dbraw/zinc/51/47/43/457514743.db2.gz NLKOJEWIBYZHIS-UHFFFAOYSA-N 1 2 331.354 3.236 20 30 EGEDLO N#Cc1ccc(N2CCc3c([nH+]cn3-c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000357456619 457540154 /nfs/dbraw/zinc/54/01/54/457540154.db2.gz SMVJIWBTPDZVKN-UHFFFAOYSA-N 1 2 345.362 3.215 20 30 EGEDLO Cn1cc[nH+]c1CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000347618838 457552550 /nfs/dbraw/zinc/55/25/50/457552550.db2.gz PTRXJKRJECPIKK-UHFFFAOYSA-N 1 2 346.390 3.208 20 30 EGEDLO CC[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000374328360 457587502 /nfs/dbraw/zinc/58/75/02/457587502.db2.gz SKLIIRWGNRYWSM-HNNXBMFYSA-N 1 2 329.444 3.059 20 30 EGEDLO Cc1ccccc1NC(=O)CC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000361180538 457632737 /nfs/dbraw/zinc/63/27/37/457632737.db2.gz VUEWCODBHCRVTM-FQEVSTJZSA-N 1 2 349.434 3.269 20 30 EGEDLO Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000361180538 457632742 /nfs/dbraw/zinc/63/27/42/457632742.db2.gz VUEWCODBHCRVTM-FQEVSTJZSA-N 1 2 349.434 3.269 20 30 EGEDLO N#Cc1cccc(CN2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)c1 ZINC000357808137 457697238 /nfs/dbraw/zinc/69/72/38/457697238.db2.gz POTIMXQTPIZLBT-UHFFFAOYSA-N 1 2 332.382 3.441 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CCc3c(ncn3-c3ccc(F)cc3)C2)c1 ZINC000357808137 457697242 /nfs/dbraw/zinc/69/72/42/457697242.db2.gz POTIMXQTPIZLBT-UHFFFAOYSA-N 1 2 332.382 3.441 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CCc3c(ncn3-c3ccc(F)cc3)C2)c1 ZINC000357808137 457697246 /nfs/dbraw/zinc/69/72/46/457697246.db2.gz POTIMXQTPIZLBT-UHFFFAOYSA-N 1 2 332.382 3.441 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@H](C#N)CCc1ccccc1 ZINC000433154753 457765687 /nfs/dbraw/zinc/76/56/87/457765687.db2.gz UXNIULYEXRZTCD-SFHVURJKSA-N 1 2 346.434 3.234 20 30 EGEDLO C[N@H+](CC(C)(C)C#N)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000433297250 457802103 /nfs/dbraw/zinc/80/21/03/457802103.db2.gz KXSBQZQVFBMRDD-CQSZACIVSA-N 1 2 339.361 3.292 20 30 EGEDLO C[N@@H+](CC(C)(C)C#N)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000433297250 457802106 /nfs/dbraw/zinc/80/21/06/457802106.db2.gz KXSBQZQVFBMRDD-CQSZACIVSA-N 1 2 339.361 3.292 20 30 EGEDLO C[C@H](NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N)c1cc2ccccc2o1 ZINC000433303055 457803368 /nfs/dbraw/zinc/80/33/68/457803368.db2.gz KKMSKAKFGPPQAY-KBPBESRZSA-N 1 2 327.428 3.480 20 30 EGEDLO C[C@H](NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N)c1cc2ccccc2o1 ZINC000433303055 457803373 /nfs/dbraw/zinc/80/33/73/457803373.db2.gz KKMSKAKFGPPQAY-KBPBESRZSA-N 1 2 327.428 3.480 20 30 EGEDLO C[N@H+](CC(C)(C)C#N)[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000433309690 457805202 /nfs/dbraw/zinc/80/52/02/457805202.db2.gz CDXLQPWOUOXDSO-CQSZACIVSA-N 1 2 339.361 3.292 20 30 EGEDLO C[N@@H+](CC(C)(C)C#N)[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000433309690 457805206 /nfs/dbraw/zinc/80/52/06/457805206.db2.gz CDXLQPWOUOXDSO-CQSZACIVSA-N 1 2 339.361 3.292 20 30 EGEDLO N#Cc1ccc(OCCC[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000371293387 457851181 /nfs/dbraw/zinc/85/11/81/457851181.db2.gz VXTFYZITPYGPIR-OAQYLSRUSA-N 1 2 347.418 3.272 20 30 EGEDLO N#Cc1ccc(OCCC[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000371293387 457851189 /nfs/dbraw/zinc/85/11/89/457851189.db2.gz VXTFYZITPYGPIR-OAQYLSRUSA-N 1 2 347.418 3.272 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H](O)c3cccc(Cl)c3)CCO2)c1 ZINC000371291808 457852013 /nfs/dbraw/zinc/85/20/13/457852013.db2.gz MLEYWSXKSGJCTR-MOPGFXCFSA-N 1 2 342.826 3.319 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H](O)c3cccc(Cl)c3)CCO2)c1 ZINC000371291808 457852020 /nfs/dbraw/zinc/85/20/20/457852020.db2.gz MLEYWSXKSGJCTR-MOPGFXCFSA-N 1 2 342.826 3.319 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000375527168 457961765 /nfs/dbraw/zinc/96/17/65/457961765.db2.gz WUFQXHUZERQOFS-UHFFFAOYSA-N 1 2 344.821 3.458 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000375527168 457961772 /nfs/dbraw/zinc/96/17/72/457961772.db2.gz WUFQXHUZERQOFS-UHFFFAOYSA-N 1 2 344.821 3.458 20 30 EGEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000361996572 457997165 /nfs/dbraw/zinc/99/71/65/457997165.db2.gz PFJTWVRHRAOUTI-NSHDSACASA-N 1 2 331.243 3.455 20 30 EGEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000361996572 457997172 /nfs/dbraw/zinc/99/71/72/457997172.db2.gz PFJTWVRHRAOUTI-NSHDSACASA-N 1 2 331.243 3.455 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1nnc(CC(C)C)s1)Cc1ccccc1 ZINC000362201775 458041992 /nfs/dbraw/zinc/04/19/92/458041992.db2.gz VYAIQQNLHQIAGQ-UHFFFAOYSA-N 1 2 344.484 3.363 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1nnc(CC(C)C)s1)Cc1ccccc1 ZINC000362201775 458041995 /nfs/dbraw/zinc/04/19/95/458041995.db2.gz VYAIQQNLHQIAGQ-UHFFFAOYSA-N 1 2 344.484 3.363 20 30 EGEDLO N#CCCCC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000362288987 458084233 /nfs/dbraw/zinc/08/42/33/458084233.db2.gz UKRYEFAGFKLKNS-UHFFFAOYSA-N 1 2 330.819 3.259 20 30 EGEDLO N#Cc1cc(C(=O)N2CC[NH2+][C@H](c3ccccc3Cl)C2)ccc1F ZINC000375880995 458106860 /nfs/dbraw/zinc/10/68/60/458106860.db2.gz YFSISJUWWZCXSL-KRWDZBQOSA-N 1 2 343.789 3.137 20 30 EGEDLO C[C@@H]1COCC[N@@H+]1CCSc1nc(-c2ccccc2)ccc1C#N ZINC000412997265 458290250 /nfs/dbraw/zinc/29/02/50/458290250.db2.gz VOJVLHBRQWMUDO-OAHLLOKOSA-N 1 2 339.464 3.433 20 30 EGEDLO C[C@@H]1COCC[N@H+]1CCSc1nc(-c2ccccc2)ccc1C#N ZINC000412997265 458290257 /nfs/dbraw/zinc/29/02/57/458290257.db2.gz VOJVLHBRQWMUDO-OAHLLOKOSA-N 1 2 339.464 3.433 20 30 EGEDLO Cc1cc(C)c(CNC(=O)Nc2cc(C)c(N(C)C)cc2C#N)c[nH+]1 ZINC000417150671 458361186 /nfs/dbraw/zinc/36/11/86/458361186.db2.gz GQLVKGKOEMXSLM-UHFFFAOYSA-N 1 2 337.427 3.266 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000448623845 458403152 /nfs/dbraw/zinc/40/31/52/458403152.db2.gz VWZFEYVVXBCABU-UHFFFAOYSA-N 1 2 336.863 3.075 20 30 EGEDLO C[C@@H](C[N@H+](CCC#N)CC(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000449023618 458419991 /nfs/dbraw/zinc/41/99/91/458419991.db2.gz SLMYYXQODAYZPU-HNNXBMFYSA-N 1 2 336.501 3.455 20 30 EGEDLO C[C@@H](C[N@@H+](CCC#N)CC(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000449023618 458419995 /nfs/dbraw/zinc/41/99/95/458419995.db2.gz SLMYYXQODAYZPU-HNNXBMFYSA-N 1 2 336.501 3.455 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2cccc(F)c2Br)CC1 ZINC000449312825 458423085 /nfs/dbraw/zinc/42/30/85/458423085.db2.gz SCLSTUAMQUGAOJ-UHFFFAOYSA-N 1 2 341.224 3.340 20 30 EGEDLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@@]2(C#N)C[C@H]2C)CC1 ZINC000450382183 458446292 /nfs/dbraw/zinc/44/62/92/458446292.db2.gz WKCDSTQXQNRMIG-JLTOFOAXSA-N 1 2 336.439 3.312 20 30 EGEDLO N#CCCC[C@@H]([NH3+])C(=O)Nc1c(O)c(Cl)cc(Cl)c1Cl ZINC000424173265 458577432 /nfs/dbraw/zinc/57/74/32/458577432.db2.gz OFCHRDJMNGWBHT-MRVPVSSYSA-N 1 2 336.606 3.312 20 30 EGEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccccc2OC(F)(F)F)nn1 ZINC000424291660 458606119 /nfs/dbraw/zinc/60/61/19/458606119.db2.gz DZZQCPKHCKDERP-NSHDSACASA-N 1 2 326.322 3.214 20 30 EGEDLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)s1 ZINC000424323304 458615698 /nfs/dbraw/zinc/61/56/98/458615698.db2.gz IYGMQAUXTNLQFI-IINYFYTJSA-N 1 2 327.409 3.139 20 30 EGEDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)s1 ZINC000424323309 458616089 /nfs/dbraw/zinc/61/60/89/458616089.db2.gz IYGMQAUXTNLQFI-YGRLFVJLSA-N 1 2 327.409 3.139 20 30 EGEDLO Cc1cc(C#N)cc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000456004306 458626958 /nfs/dbraw/zinc/62/69/58/458626958.db2.gz OHHRWHFFDHVOBA-UHFFFAOYSA-N 1 2 340.452 3.278 20 30 EGEDLO COCC[N@H+](Cc1ccc(Br)s1)CC1(C#N)CC1 ZINC000494286191 458653605 /nfs/dbraw/zinc/65/36/05/458653605.db2.gz XMQBABPKPVZCRV-UHFFFAOYSA-N 1 2 329.263 3.263 20 30 EGEDLO COCC[N@@H+](Cc1ccc(Br)s1)CC1(C#N)CC1 ZINC000494286191 458653612 /nfs/dbraw/zinc/65/36/12/458653612.db2.gz XMQBABPKPVZCRV-UHFFFAOYSA-N 1 2 329.263 3.263 20 30 EGEDLO COC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CCc1cccc(C#N)c1 ZINC000503581959 458716257 /nfs/dbraw/zinc/71/62/57/458716257.db2.gz UDSXKWCWOXWNFL-SFHVURJKSA-N 1 2 342.826 3.128 20 30 EGEDLO CCN1CCN(c2ccc(C#N)cc2C(F)(F)F)C[C@@H]1c1[nH]cc[nH+]1 ZINC000530480307 458775659 /nfs/dbraw/zinc/77/56/59/458775659.db2.gz WSFJHMGSOGKDQP-OAHLLOKOSA-N 1 2 349.360 3.183 20 30 EGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1csc(Cl)c1Cl ZINC000432747930 458780403 /nfs/dbraw/zinc/78/04/03/458780403.db2.gz MQUGJDXUUOJYAM-UHFFFAOYSA-N 1 2 348.299 3.103 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)nc1 ZINC000518394781 458863918 /nfs/dbraw/zinc/86/39/18/458863918.db2.gz YXRVJWYDFHNEAL-UHFFFAOYSA-N 1 2 341.361 3.326 20 30 EGEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OCCCCF)cc1 ZINC000495749822 458940883 /nfs/dbraw/zinc/94/08/83/458940883.db2.gz XQFSKNKUTQDBQT-UHFFFAOYSA-N 1 2 339.411 3.098 20 30 EGEDLO COc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000521115256 459121143 /nfs/dbraw/zinc/12/11/43/459121143.db2.gz XCGSJDDOMLFUKX-FQEVSTJZSA-N 1 2 336.435 3.400 20 30 EGEDLO COc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000521115256 459121149 /nfs/dbraw/zinc/12/11/49/459121149.db2.gz XCGSJDDOMLFUKX-FQEVSTJZSA-N 1 2 336.435 3.400 20 30 EGEDLO N#Cc1nc(NCc2ccc(N3CCCCC3)[nH+]c2)sc1Cl ZINC000590573367 459152608 /nfs/dbraw/zinc/15/26/08/459152608.db2.gz XTMILLPBKKZZDF-UHFFFAOYSA-N 1 2 333.848 3.087 20 30 EGEDLO CC(C)(C)OC(=O)NCC[C@@H]([NH2+]Cc1ccc(C#N)s1)C(F)F ZINC000496511955 459221453 /nfs/dbraw/zinc/22/14/53/459221453.db2.gz JCXKGCSYYLZHIP-GFCCVEGCSA-N 1 2 345.415 3.258 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000581761366 459277328 /nfs/dbraw/zinc/27/73/28/459277328.db2.gz AIIOYEJIXVGPAP-NRFANRHFSA-N 1 2 335.451 3.169 20 30 EGEDLO CCOC[C@@H]1CCCC[N@@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000590971358 459286721 /nfs/dbraw/zinc/28/67/21/459286721.db2.gz PJMPBAJPXIZEKI-SFHVURJKSA-N 1 2 338.455 3.443 20 30 EGEDLO CCOC[C@@H]1CCCC[N@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000590971358 459286724 /nfs/dbraw/zinc/28/67/24/459286724.db2.gz PJMPBAJPXIZEKI-SFHVURJKSA-N 1 2 338.455 3.443 20 30 EGEDLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)s1 ZINC000591241462 459338891 /nfs/dbraw/zinc/33/88/91/459338891.db2.gz VLBOAKBEDWJWHT-IINYFYTJSA-N 1 2 327.409 3.139 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(Cc1[nH]cc[nH+]1)c1cc(C)ccc1Cl ZINC000582346479 459349298 /nfs/dbraw/zinc/34/92/98/459349298.db2.gz HKTLEORNHMIIMQ-CJNGLKHVSA-N 1 2 345.830 3.496 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000591381165 459366995 /nfs/dbraw/zinc/36/69/95/459366995.db2.gz FHJJBUAEMWDVOQ-INIZCTEOSA-N 1 2 337.467 3.424 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000591381165 459367001 /nfs/dbraw/zinc/36/70/01/459367001.db2.gz FHJJBUAEMWDVOQ-INIZCTEOSA-N 1 2 337.467 3.424 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000537683818 459367448 /nfs/dbraw/zinc/36/74/48/459367448.db2.gz POZIGBLHUGJAIF-TYILLQQXSA-N 1 2 331.435 3.188 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000537683818 459367456 /nfs/dbraw/zinc/36/74/56/459367456.db2.gz POZIGBLHUGJAIF-TYILLQQXSA-N 1 2 331.435 3.188 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000582604673 459393563 /nfs/dbraw/zinc/39/35/63/459393563.db2.gz UPIYIQCDVLGNME-CVEARBPZSA-N 1 2 348.512 3.295 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000582604673 459393569 /nfs/dbraw/zinc/39/35/69/459393569.db2.gz UPIYIQCDVLGNME-CVEARBPZSA-N 1 2 348.512 3.295 20 30 EGEDLO COc1ccc(F)c(N2CC[NH+](CC#Cc3ccc(F)cc3)CC2)c1 ZINC000484300899 459411245 /nfs/dbraw/zinc/41/12/45/459411245.db2.gz LFCXBZSRPDJNPI-UHFFFAOYSA-N 1 2 342.389 3.147 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](c2ccc(CC)cc2)C1 ZINC000484351364 459413061 /nfs/dbraw/zinc/41/30/61/459413061.db2.gz IPEUDBPEQIOCOK-FXAWDEMLSA-N 1 2 344.499 3.435 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@@H](c2ccc(CC)cc2)C1 ZINC000484351364 459413068 /nfs/dbraw/zinc/41/30/68/459413068.db2.gz IPEUDBPEQIOCOK-FXAWDEMLSA-N 1 2 344.499 3.435 20 30 EGEDLO COc1ccc(C#N)cc1C[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000541700069 459481286 /nfs/dbraw/zinc/48/12/86/459481286.db2.gz RNGZPIVEEXKELT-HXUWFJFHSA-N 1 2 336.435 3.400 20 30 EGEDLO COc1ccc(C#N)cc1C[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000541700069 459481295 /nfs/dbraw/zinc/48/12/95/459481295.db2.gz RNGZPIVEEXKELT-HXUWFJFHSA-N 1 2 336.435 3.400 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CCSC[C@@H]2C2CC2)c(C#N)c1C ZINC000569676066 459491768 /nfs/dbraw/zinc/49/17/68/459491768.db2.gz AKJPUXKEYYRRTA-CQSZACIVSA-N 1 2 335.498 3.003 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CCSC[C@@H]2C2CC2)c(C#N)c1C ZINC000569676066 459491772 /nfs/dbraw/zinc/49/17/72/459491772.db2.gz AKJPUXKEYYRRTA-CQSZACIVSA-N 1 2 335.498 3.003 20 30 EGEDLO N#Cc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)s1 ZINC000486832995 459525191 /nfs/dbraw/zinc/52/51/91/459525191.db2.gz IYCVNCZEAKPPTB-QPJJXVBHSA-N 1 2 337.448 3.091 20 30 EGEDLO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146220 459535625 /nfs/dbraw/zinc/53/56/25/459535625.db2.gz GDWHDRBJWPVANC-FQEVSTJZSA-N 1 2 343.471 3.222 20 30 EGEDLO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146220 459535630 /nfs/dbraw/zinc/53/56/30/459535630.db2.gz GDWHDRBJWPVANC-FQEVSTJZSA-N 1 2 343.471 3.222 20 30 EGEDLO C[C@H]1COC(C)(C)C[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000488203548 459540420 /nfs/dbraw/zinc/54/04/20/459540420.db2.gz VOAFUFDZYUDSOR-AWEZNQCLSA-N 1 2 349.862 3.086 20 30 EGEDLO C[C@H]1COC(C)(C)C[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000488203548 459540427 /nfs/dbraw/zinc/54/04/27/459540427.db2.gz VOAFUFDZYUDSOR-AWEZNQCLSA-N 1 2 349.862 3.086 20 30 EGEDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000526303798 459556169 /nfs/dbraw/zinc/55/61/69/459556169.db2.gz WQCGDUFDIGEYEW-CYBMUJFWSA-N 1 2 334.489 3.130 20 30 EGEDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000526303798 459556175 /nfs/dbraw/zinc/55/61/75/459556175.db2.gz WQCGDUFDIGEYEW-CYBMUJFWSA-N 1 2 334.489 3.130 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000497918857 459561327 /nfs/dbraw/zinc/56/13/27/459561327.db2.gz SUKSUBHHKAJPIZ-SFHVURJKSA-N 1 2 344.499 3.435 20 30 EGEDLO N#CCC[C@@H](C#N)C[NH2+][C@H]1COc2cc(F)c(Br)cc21 ZINC000583576208 459562196 /nfs/dbraw/zinc/56/21/96/459562196.db2.gz HRYHJKZOGAHNAV-ZANVPECISA-N 1 2 338.180 3.055 20 30 EGEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000583728963 459586886 /nfs/dbraw/zinc/58/68/86/459586886.db2.gz ZUEMPECSKIYYTP-GFCCVEGCSA-N 1 2 348.468 3.002 20 30 EGEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000583728963 459586892 /nfs/dbraw/zinc/58/68/92/459586892.db2.gz ZUEMPECSKIYYTP-GFCCVEGCSA-N 1 2 348.468 3.002 20 30 EGEDLO C#CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000491210181 459604572 /nfs/dbraw/zinc/60/45/72/459604572.db2.gz QXSKKUDREAGRDX-UHFFFAOYSA-N 1 2 348.362 3.280 20 30 EGEDLO C#CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000491210181 459604578 /nfs/dbraw/zinc/60/45/78/459604578.db2.gz QXSKKUDREAGRDX-UHFFFAOYSA-N 1 2 348.362 3.280 20 30 EGEDLO C#C[C@@H](CCC)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000491219698 459605762 /nfs/dbraw/zinc/60/57/62/459605762.db2.gz GXBLLASLLDOQKG-RDJZCZTQSA-N 1 2 329.444 3.003 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)/C=C/c1ccc(C#N)cc1)C2 ZINC000491419891 459625455 /nfs/dbraw/zinc/62/54/55/459625455.db2.gz RCIWTYGMAKKAEE-VGMNTSGFSA-N 1 2 348.450 3.197 20 30 EGEDLO C#C[C@H]([NH2+]Cc1cc(C(=O)OC)n(C)c1)c1ccc(Cl)cc1F ZINC000491537754 459635110 /nfs/dbraw/zinc/63/51/10/459635110.db2.gz SZBRJLQIBFAGEW-HNNXBMFYSA-N 1 2 334.778 3.068 20 30 EGEDLO Cc1[nH+]c2cc(NC(=O)/C=C\c3ccc(OCC#N)cc3)ccc2n1C ZINC000491916955 459684070 /nfs/dbraw/zinc/68/40/70/459684070.db2.gz XFYVEXSJRJEYMB-YHYXMXQVSA-N 1 2 346.390 3.436 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596591263 459687522 /nfs/dbraw/zinc/68/75/22/459687522.db2.gz JITATRXLQFCOFD-RDJZCZTQSA-N 1 2 340.471 3.196 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596591263 459687526 /nfs/dbraw/zinc/68/75/26/459687526.db2.gz JITATRXLQFCOFD-RDJZCZTQSA-N 1 2 340.471 3.196 20 30 EGEDLO C[C@@H](NC(=O)/C=C/c1cn(CCC#N)c2ccccc12)c1[nH]cc[nH+]1 ZINC000492799830 459721423 /nfs/dbraw/zinc/72/14/23/459721423.db2.gz WTPMDVQAPWDQOC-HSBSLETESA-N 1 2 333.395 3.169 20 30 EGEDLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](Cc2cnc3c(C#N)cnn3c2)C2CC2)o1 ZINC000563154100 459724687 /nfs/dbraw/zinc/72/46/87/459724687.db2.gz GNFVXRJCMJPNJT-ACJLOTCBSA-N 1 2 347.422 3.482 20 30 EGEDLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2cnc3c(C#N)cnn3c2)C2CC2)o1 ZINC000563154100 459724691 /nfs/dbraw/zinc/72/46/91/459724691.db2.gz GNFVXRJCMJPNJT-ACJLOTCBSA-N 1 2 347.422 3.482 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000564802002 459776411 /nfs/dbraw/zinc/77/64/11/459776411.db2.gz JEHWWVWAZJPYSK-AUUYWEPGSA-N 1 2 347.528 3.473 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000564802009 459776788 /nfs/dbraw/zinc/77/67/88/459776788.db2.gz JEHWWVWAZJPYSK-KUHUBIRLSA-N 1 2 347.528 3.473 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC000565550907 459785723 /nfs/dbraw/zinc/78/57/23/459785723.db2.gz VNTRATWTQOLXQQ-QGZVFWFLSA-N 1 2 331.435 3.036 20 30 EGEDLO C=CCOc1cccc(C[NH2+][C@H](C(=O)OC)[C@H]2CCC[C@@H](OC)C2)c1 ZINC000566352602 459848439 /nfs/dbraw/zinc/84/84/39/459848439.db2.gz UKIHGNUCTQCRBS-SCTDSRPQSA-N 1 2 347.455 3.088 20 30 EGEDLO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(COC)c(C#N)c1 ZINC000529816088 459850004 /nfs/dbraw/zinc/85/00/04/459850004.db2.gz HQDYUBWZXZQDCB-UHFFFAOYSA-N 1 2 348.406 3.255 20 30 EGEDLO C[C@H](c1cccc(NC(=O)CCCCCC#N)c1)[NH+]1CCOCC1 ZINC000588156934 459920347 /nfs/dbraw/zinc/92/03/47/459920347.db2.gz PBHAHUZQUQUUMJ-MRXNPFEDSA-N 1 2 329.444 3.492 20 30 EGEDLO N#Cc1cccc(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)n1 ZINC000589272946 460065875 /nfs/dbraw/zinc/06/58/75/460065875.db2.gz WMKGPWPBVKLKTM-UHFFFAOYSA-N 1 2 331.379 3.282 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccc(I)s2)C1 ZINC000602705884 460076930 /nfs/dbraw/zinc/07/69/30/460076930.db2.gz OJKZERZBJZMYIV-SNVBAGLBSA-N 1 2 346.237 3.478 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](Cc2ccc(I)s2)C1 ZINC000602705884 460076938 /nfs/dbraw/zinc/07/69/38/460076938.db2.gz OJKZERZBJZMYIV-SNVBAGLBSA-N 1 2 346.237 3.478 20 30 EGEDLO CN(C)C[C@H]([NH2+]Cc1cccc(C#N)n1)c1cccc(C(F)(F)F)c1 ZINC000602730170 460091135 /nfs/dbraw/zinc/09/11/35/460091135.db2.gz YRSSTKYUHNVZJJ-KRWDZBQOSA-N 1 2 348.372 3.365 20 30 EGEDLO N#Cc1cnc2c(F)ccc(F)c2c1NCCc1cn2ccccc2[nH+]1 ZINC000610245952 460096619 /nfs/dbraw/zinc/09/66/19/460096619.db2.gz ACQMEPAXFSOVCW-UHFFFAOYSA-N 1 2 349.344 3.109 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3coc(C(F)F)c3)CC2)cc1 ZINC000598978880 460114408 /nfs/dbraw/zinc/11/44/08/460114408.db2.gz XHKXKHULFKHFTC-UHFFFAOYSA-N 1 2 345.349 3.047 20 30 EGEDLO C=CCCSCCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000597969561 460129449 /nfs/dbraw/zinc/12/94/49/460129449.db2.gz BXVOGBKFDRAZOX-MRXNPFEDSA-N 1 2 329.469 3.357 20 30 EGEDLO Cc1cccc2[nH+]c(CNC(=O)N[C@H](C)c3cccc(C#N)c3)cn21 ZINC000610353814 460132078 /nfs/dbraw/zinc/13/20/78/460132078.db2.gz KCCCSZUWLRDWKO-CQSZACIVSA-N 1 2 333.395 3.075 20 30 EGEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000594222070 460158557 /nfs/dbraw/zinc/15/85/57/460158557.db2.gz CDLXNOBBVDMORZ-MRXNPFEDSA-N 1 2 348.450 3.048 20 30 EGEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000618783118 460171859 /nfs/dbraw/zinc/17/18/59/460171859.db2.gz RBZGEEVUAVYRTJ-IBGZPJMESA-N 1 2 328.375 3.161 20 30 EGEDLO Cc1cccc2[nH+]c(CNC(=O)[C@H](C)Cc3ccc(C#N)cc3)cn21 ZINC000594286787 460181138 /nfs/dbraw/zinc/18/11/38/460181138.db2.gz XALBSNUQIYLHKI-CQSZACIVSA-N 1 2 332.407 3.009 20 30 EGEDLO Cc1ccc2[nH+]c(CNC(=O)N[C@H]3CCc4cc(C#N)ccc43)cn2c1 ZINC000618805192 460184144 /nfs/dbraw/zinc/18/41/44/460184144.db2.gz DTIHIWXPEVOWPV-SFHVURJKSA-N 1 2 345.406 3.001 20 30 EGEDLO Cc1ncc([C@H](C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)s1 ZINC000602957331 460201001 /nfs/dbraw/zinc/20/10/01/460201001.db2.gz RUMGUGQZIFQBLE-JTQLQIEISA-N 1 2 325.397 3.224 20 30 EGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000610859244 460249317 /nfs/dbraw/zinc/24/93/17/460249317.db2.gz WOARTOQDBRUKPC-UHFFFAOYSA-N 1 2 348.406 3.492 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CCCC(F)(F)CC2)c(C#N)c1C ZINC000599551865 460273139 /nfs/dbraw/zinc/27/31/39/460273139.db2.gz BXTLSZRKZHRBRG-UHFFFAOYSA-N 1 2 327.400 3.296 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CCCC(F)(F)CC2)c(C#N)c1C ZINC000599551865 460273143 /nfs/dbraw/zinc/27/31/43/460273143.db2.gz BXTLSZRKZHRBRG-UHFFFAOYSA-N 1 2 327.400 3.296 20 30 EGEDLO Cc1ccc(C(=O)N2CC[C@](F)(C#N)C2)cc1Oc1cc[nH+]cc1 ZINC000615664657 460369562 /nfs/dbraw/zinc/36/95/62/460369562.db2.gz OMSIKRGHNOUYML-SFHVURJKSA-N 1 2 325.343 3.260 20 30 EGEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000615740885 460384668 /nfs/dbraw/zinc/38/46/68/460384668.db2.gz WUIIMBOYEQCUAC-SFHVURJKSA-N 1 2 336.439 3.002 20 30 EGEDLO C[C@@H]([NH2+]Cc1c(Br)cnn1C)c1ccc(C#N)c(F)c1 ZINC000601292131 460778558 /nfs/dbraw/zinc/77/85/58/460778558.db2.gz KRGOGAQROZLPBS-SECBINFHSA-N 1 2 337.196 3.044 20 30 EGEDLO C=CCCC(C)(C)NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000620857656 460812011 /nfs/dbraw/zinc/81/20/11/460812011.db2.gz DJDSBTCALSKNBZ-UHFFFAOYSA-N 1 2 338.455 3.294 20 30 EGEDLO COc1ccc(C(=O)C2CC[NH+](Cc3cccc(C#N)n3)CC2)cc1 ZINC000637883116 461103106 /nfs/dbraw/zinc/10/31/06/461103106.db2.gz DLMIQGPAQQZBOA-UHFFFAOYSA-N 1 2 335.407 3.057 20 30 EGEDLO N#Cc1ccc(CC[N@H+]2CCOC[C@H]2CC(=O)c2ccccc2)cc1 ZINC000660129506 461601353 /nfs/dbraw/zinc/60/13/53/461601353.db2.gz XNNSFEOLXJZTFE-HXUWFJFHSA-N 1 2 334.419 3.075 20 30 EGEDLO N#Cc1ccc(CC[N@@H+]2CCOC[C@H]2CC(=O)c2ccccc2)cc1 ZINC000660129506 461601361 /nfs/dbraw/zinc/60/13/61/461601361.db2.gz XNNSFEOLXJZTFE-HXUWFJFHSA-N 1 2 334.419 3.075 20 30 EGEDLO C=CCCn1cc(C[N@@H+](C)Cc2ccccc2N2CCCC2)nn1 ZINC000653474605 461661917 /nfs/dbraw/zinc/66/19/17/461661917.db2.gz WYGNHCYZOOROFK-UHFFFAOYSA-N 1 2 325.460 3.086 20 30 EGEDLO C=CCCn1cc(C[N@H+](C)Cc2ccccc2N2CCCC2)nn1 ZINC000653474605 461661924 /nfs/dbraw/zinc/66/19/24/461661924.db2.gz WYGNHCYZOOROFK-UHFFFAOYSA-N 1 2 325.460 3.086 20 30 EGEDLO C=CC[C@@H](Cc1ccccc1)n1cc(C[NH+]2CCSCC2)nn1 ZINC000656457334 461749103 /nfs/dbraw/zinc/74/91/03/461749103.db2.gz LVQQMVFQSVYPOH-SFHVURJKSA-N 1 2 328.485 3.187 20 30 EGEDLO C=CCCn1cc(C[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)nn1 ZINC000653705266 461816402 /nfs/dbraw/zinc/81/64/02/461816402.db2.gz ZRXRLGGTEGAAMU-KRWDZBQOSA-N 1 2 332.835 3.161 20 30 EGEDLO C=CCCn1cc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)nn1 ZINC000653705266 461816410 /nfs/dbraw/zinc/81/64/10/461816410.db2.gz ZRXRLGGTEGAAMU-KRWDZBQOSA-N 1 2 332.835 3.161 20 30 EGEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)nn1 ZINC000653705267 461816531 /nfs/dbraw/zinc/81/65/31/461816531.db2.gz ZRXRLGGTEGAAMU-QGZVFWFLSA-N 1 2 332.835 3.161 20 30 EGEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)nn1 ZINC000653705267 461816538 /nfs/dbraw/zinc/81/65/38/461816538.db2.gz ZRXRLGGTEGAAMU-QGZVFWFLSA-N 1 2 332.835 3.161 20 30 EGEDLO C=CCOCC[N@H+]1CCOC[C@@H]1c1c(C)nn(-c2ccccc2)c1C ZINC000645112288 462183277 /nfs/dbraw/zinc/18/32/77/462183277.db2.gz IAPLYEYCECTZDV-LJQANCHMSA-N 1 2 341.455 3.065 20 30 EGEDLO C=CCOCC[N@@H+]1CCOC[C@@H]1c1c(C)nn(-c2ccccc2)c1C ZINC000645112288 462183282 /nfs/dbraw/zinc/18/32/82/462183282.db2.gz IAPLYEYCECTZDV-LJQANCHMSA-N 1 2 341.455 3.065 20 30 EGEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000665404303 462437340 /nfs/dbraw/zinc/43/73/40/462437340.db2.gz DACAEFPSKWRQAG-GFCCVEGCSA-N 1 2 335.860 3.375 20 30 EGEDLO C=CC[N@H+](CC(=O)N[C@@H]1CCOc2ccccc21)Cc1cccs1 ZINC000050274534 546545902 /nfs/dbraw/zinc/54/59/02/546545902.db2.gz SBJNMNISJUVKDD-QGZVFWFLSA-N 1 2 342.464 3.376 20 30 EGEDLO C=CC[N@@H+](CC(=O)N[C@@H]1CCOc2ccccc21)Cc1cccs1 ZINC000050274534 546545904 /nfs/dbraw/zinc/54/59/04/546545904.db2.gz SBJNMNISJUVKDD-QGZVFWFLSA-N 1 2 342.464 3.376 20 30 EGEDLO C[C@@H]1C[C@H](C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CCC1=O ZINC000328929311 547487723 /nfs/dbraw/zinc/48/77/23/547487723.db2.gz YNBCNKCWBKVPHE-GDBMZVCRSA-N 1 2 330.428 3.112 20 30 EGEDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@@H]1CCc2ccccc21 ZINC000329168723 547492180 /nfs/dbraw/zinc/49/21/80/547492180.db2.gz JCONIICGQBOPMO-GOSISDBHSA-N 1 2 337.423 3.105 20 30 EGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3CCC[C@H]3C#N)n2)C1 ZINC000332914561 547524729 /nfs/dbraw/zinc/52/47/29/547524729.db2.gz UFUSBKPUWGUJHI-IPYPFGDCSA-N 1 2 347.488 3.189 20 30 EGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3CCC[C@H]3C#N)n2)C1 ZINC000332914561 547524734 /nfs/dbraw/zinc/52/47/34/547524734.db2.gz UFUSBKPUWGUJHI-IPYPFGDCSA-N 1 2 347.488 3.189 20 30 EGEDLO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000333670617 547540411 /nfs/dbraw/zinc/54/04/11/547540411.db2.gz YCJQBEHAUWTXDV-TUKIKUTGSA-N 1 2 337.345 3.093 20 30 EGEDLO C=CC[N@@H+](Cc1cccc(NS(C)(=O)=O)c1)Cc1ccccc1F ZINC000678208711 549425501 /nfs/dbraw/zinc/42/55/01/549425501.db2.gz BMLISHNRIPMFTG-UHFFFAOYSA-N 1 2 348.443 3.385 20 30 EGEDLO C=CC[N@H+](Cc1cccc(NS(C)(=O)=O)c1)Cc1ccccc1F ZINC000678208711 549425506 /nfs/dbraw/zinc/42/55/06/549425506.db2.gz BMLISHNRIPMFTG-UHFFFAOYSA-N 1 2 348.443 3.385 20 30 EGEDLO C=CCOc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000680807055 549911545 /nfs/dbraw/zinc/91/15/45/549911545.db2.gz URJZVUCAMFBWED-DOTOQJQBSA-N 1 2 341.411 3.227 20 30 EGEDLO C=CCOc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000680807055 549911548 /nfs/dbraw/zinc/91/15/48/549911548.db2.gz URJZVUCAMFBWED-DOTOQJQBSA-N 1 2 341.411 3.227 20 30 EGEDLO O=C(Nc1cccc(C#Cc2ccccc2)c1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682449736 550100909 /nfs/dbraw/zinc/10/09/09/550100909.db2.gz OBIPRQKEAATPAT-LJQANCHMSA-N 1 2 341.414 3.484 20 30 EGEDLO C#Cc1cccc(NC(=S)NN=C2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000727261550 574656942 /nfs/dbraw/zinc/65/69/42/574656942.db2.gz KBNQQHHAWJPAHG-UHFFFAOYSA-N 1 2 348.475 3.216 20 30 EGEDLO C#Cc1cccc(NC(=S)NN=C2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000727261550 574656944 /nfs/dbraw/zinc/65/69/44/574656944.db2.gz KBNQQHHAWJPAHG-UHFFFAOYSA-N 1 2 348.475 3.216 20 30 EGEDLO CCn1nc(C)c(C(=O)/C=C\c2[nH+]ccn2CC(F)(F)F)c1C ZINC000728696691 574767260 /nfs/dbraw/zinc/76/72/60/574767260.db2.gz AFNSRBLRBLJXTQ-WAYWQWQTSA-N 1 2 326.322 3.175 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000730280101 574965598 /nfs/dbraw/zinc/96/55/98/574965598.db2.gz KBGAODIHBKSESI-IBGZPJMESA-N 1 2 345.402 3.387 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000730280101 574965601 /nfs/dbraw/zinc/96/56/01/574965601.db2.gz KBGAODIHBKSESI-IBGZPJMESA-N 1 2 345.402 3.387 20 30 EGEDLO CCN(CC)c1ccc(C=[NH+]Nc2ccccc2S(C)(=O)=O)cc1 ZINC000731932770 575222052 /nfs/dbraw/zinc/22/20/52/575222052.db2.gz BMZVYAKMZPYKED-UHFFFAOYSA-N 1 2 345.468 3.382 20 30 EGEDLO COc1cccc(O)c1/C=N/C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000734303479 575463939 /nfs/dbraw/zinc/46/39/39/575463939.db2.gz QYKWRQPRQGCTOV-SBUZPKSBSA-N 1 2 334.366 3.401 20 30 EGEDLO C=CCn1nnn(C[N@H+](Cc2ccc(F)cc2)CC2CC2)c1=S ZINC000734477701 575497593 /nfs/dbraw/zinc/49/75/93/575497593.db2.gz LQRDQHDZRXRJDV-UHFFFAOYSA-N 1 2 333.436 3.004 20 30 EGEDLO C=CCn1nnn(C[N@@H+](Cc2ccc(F)cc2)CC2CC2)c1=S ZINC000734477701 575497595 /nfs/dbraw/zinc/49/75/95/575497595.db2.gz LQRDQHDZRXRJDV-UHFFFAOYSA-N 1 2 333.436 3.004 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000735070261 575595222 /nfs/dbraw/zinc/59/52/22/575595222.db2.gz HVDFIGBTHSEIFA-FQEVSTJZSA-N 1 2 344.455 3.062 20 30 EGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000735070261 575595224 /nfs/dbraw/zinc/59/52/24/575595224.db2.gz HVDFIGBTHSEIFA-FQEVSTJZSA-N 1 2 344.455 3.062 20 30 EGEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000735937461 575734696 /nfs/dbraw/zinc/73/46/96/575734696.db2.gz KOYNTHAMSHPEGE-UHFFFAOYSA-N 1 2 341.451 3.055 20 30 EGEDLO C=CC[N@H+](Cn1c2cnccc2n(Cc2ccccc2)c1=O)C(C)C ZINC000742146366 576751527 /nfs/dbraw/zinc/75/15/27/576751527.db2.gz OSZCOCSFYHPVEH-UHFFFAOYSA-N 1 2 336.439 3.100 20 30 EGEDLO C=CC[N@@H+](Cn1c2cnccc2n(Cc2ccccc2)c1=O)C(C)C ZINC000742146366 576751528 /nfs/dbraw/zinc/75/15/28/576751528.db2.gz OSZCOCSFYHPVEH-UHFFFAOYSA-N 1 2 336.439 3.100 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2C[C@@H](C)C[C@H]2c2ccccc2F)c1=S ZINC000743375168 576807416 /nfs/dbraw/zinc/80/74/16/576807416.db2.gz TWFBDNAANCXTSI-WFASDCNBSA-N 1 2 333.436 3.175 20 30 EGEDLO C=CCn1nnn(C[N@H+]2C[C@@H](C)C[C@H]2c2ccccc2F)c1=S ZINC000743375168 576807417 /nfs/dbraw/zinc/80/74/17/576807417.db2.gz TWFBDNAANCXTSI-WFASDCNBSA-N 1 2 333.436 3.175 20 30 EGEDLO C#CC[N@@H+](CC(=O)N(C)Cc1ccccc1C)Cc1ccc(F)cc1 ZINC000744208754 576823045 /nfs/dbraw/zinc/82/30/45/576823045.db2.gz HAPSBPKUZQXFCQ-UHFFFAOYSA-N 1 2 338.426 3.228 20 30 EGEDLO C#CC[N@H+](CC(=O)N(C)Cc1ccccc1C)Cc1ccc(F)cc1 ZINC000744208754 576823046 /nfs/dbraw/zinc/82/30/46/576823046.db2.gz HAPSBPKUZQXFCQ-UHFFFAOYSA-N 1 2 338.426 3.228 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000745101671 576841233 /nfs/dbraw/zinc/84/12/33/576841233.db2.gz RWQBZJVJWLUVTL-AEFFLSMTSA-N 1 2 346.471 3.036 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000745101671 576841234 /nfs/dbraw/zinc/84/12/34/576841234.db2.gz RWQBZJVJWLUVTL-AEFFLSMTSA-N 1 2 346.471 3.036 20 30 EGEDLO C[C@H](C#N)OCC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000794804121 1309598018 /nfs/dbraw/zinc/59/80/18/1309598018.db2.gz TWFXHPHFOQIHHB-ZENOOKHLSA-N 1 2 342.361 3.396 20 30 EGEDLO C[C@H](C#N)OCC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000794804121 1309598024 /nfs/dbraw/zinc/59/80/24/1309598024.db2.gz TWFXHPHFOQIHHB-ZENOOKHLSA-N 1 2 342.361 3.396 20 30 EGEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cn1c2cc(C)ccc2oc1=O ZINC000063280839 1292005242 /nfs/dbraw/zinc/00/52/42/1292005242.db2.gz ZHXUPNJZNQUKAQ-UHFFFAOYSA-N 1 2 333.391 3.420 20 30 EGEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cn1c2cc(C)ccc2oc1=O ZINC000063280839 1292005251 /nfs/dbraw/zinc/00/52/51/1292005251.db2.gz ZHXUPNJZNQUKAQ-UHFFFAOYSA-N 1 2 333.391 3.420 20 30 EGEDLO Fc1cc(N2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)ccn1 ZINC000831459075 1292866320 /nfs/dbraw/zinc/86/63/20/1292866320.db2.gz YMLFTPDDZRBGEC-UHFFFAOYSA-N 1 2 329.806 3.048 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3ccc(F)cc3C#N)[C@@H]2C1 ZINC000832597196 1293024416 /nfs/dbraw/zinc/02/44/16/1293024416.db2.gz NYSATDGGXJHCCP-WMLDXEAASA-N 1 2 345.418 3.139 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccc(F)cc3C#N)[C@@H]2C1 ZINC000832597196 1293024427 /nfs/dbraw/zinc/02/44/27/1293024427.db2.gz NYSATDGGXJHCCP-WMLDXEAASA-N 1 2 345.418 3.139 20 30 EGEDLO NC(=[NH+]OCc1ncc(-c2cccs2)o1)c1ccc2c(c1)CCO2 ZINC000158150123 1294196768 /nfs/dbraw/zinc/19/67/68/1294196768.db2.gz XWTAZTGVTRUGIV-UHFFFAOYSA-N 1 2 341.392 3.175 20 30 EGEDLO Cc1cccn2c(/C=C\C(=O)c3ccc4c(c3)CCC(=O)N4C)c[nH+]c12 ZINC000255504690 1296540027 /nfs/dbraw/zinc/54/00/27/1296540027.db2.gz XAFZEUKKGLVVLX-CLFYSBASSA-N 1 2 345.402 3.448 20 30 EGEDLO C=CCC[NH2+]c1ccc(N2CC[C@H](CO)C2)c(Br)c1 ZINC000871851434 1296568831 /nfs/dbraw/zinc/56/88/31/1296568831.db2.gz MBXCVZGPZDMECO-LBPRGKRZSA-N 1 2 325.250 3.256 20 30 EGEDLO C=CCc1ccc(OC[C@@H](O)Cn2c[nH+]c(C(C)(C)C)c2)c(OC)c1 ZINC000871988985 1296640582 /nfs/dbraw/zinc/64/05/82/1296640582.db2.gz JCXKFCCFYFYDFQ-INIZCTEOSA-N 1 2 344.455 3.358 20 30 EGEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1C[C@H](Cc2ccccc2)CC1=O ZINC000872562597 1297004763 /nfs/dbraw/zinc/00/47/63/1297004763.db2.gz VSQQAWTUNXJCCL-HXUWFJFHSA-N 1 2 333.435 3.039 20 30 EGEDLO C[N@H+](Cc1cccc(C#N)c1)CN1C[C@H](Cc2ccccc2)CC1=O ZINC000872562597 1297004778 /nfs/dbraw/zinc/00/47/78/1297004778.db2.gz VSQQAWTUNXJCCL-HXUWFJFHSA-N 1 2 333.435 3.039 20 30 EGEDLO C#CC[N@@H+](CC)CC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000746457010 1298590140 /nfs/dbraw/zinc/59/01/40/1298590140.db2.gz URPUQTKLVATQDZ-UHFFFAOYSA-N 1 2 339.464 3.268 20 30 EGEDLO C#CC[N@H+](CC)CC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000746457010 1298590148 /nfs/dbraw/zinc/59/01/48/1298590148.db2.gz URPUQTKLVATQDZ-UHFFFAOYSA-N 1 2 339.464 3.268 20 30 EGEDLO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000746456719 1298590906 /nfs/dbraw/zinc/59/09/06/1298590906.db2.gz GMXOBBDPBOEMSI-AWEZNQCLSA-N 1 2 327.453 3.401 20 30 EGEDLO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000746456719 1298590908 /nfs/dbraw/zinc/59/09/08/1298590908.db2.gz GMXOBBDPBOEMSI-AWEZNQCLSA-N 1 2 327.453 3.401 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(COC(C)(C)C)c1C ZINC000747436861 1298779995 /nfs/dbraw/zinc/77/99/95/1298779995.db2.gz LWDIOWSPHPAHAO-SFHVURJKSA-N 1 2 328.456 3.346 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(COC(C)(C)C)c1C ZINC000747436861 1298780006 /nfs/dbraw/zinc/78/00/06/1298780006.db2.gz LWDIOWSPHPAHAO-SFHVURJKSA-N 1 2 328.456 3.346 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)O[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000748777224 1299076373 /nfs/dbraw/zinc/07/63/73/1299076373.db2.gz NJIQOOFSXNLJBA-ZDUSSCGKSA-N 1 2 337.851 3.194 20 30 EGEDLO COCC[C@H](C)O[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000755944313 1300419334 /nfs/dbraw/zinc/41/93/34/1300419334.db2.gz WDKLSHFJZPSIQQ-HNNXBMFYSA-N 1 2 328.412 3.328 20 30 EGEDLO C#CC[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000757618828 1300695186 /nfs/dbraw/zinc/69/51/86/1300695186.db2.gz ZFIIJDIHTTVKHP-FQEVSTJZSA-N 1 2 329.403 3.426 20 30 EGEDLO Cc1ccn(C[NH+]2CCC(c3ccc(F)cc3)CC2)c(=O)c1C#N ZINC000758238693 1300825528 /nfs/dbraw/zinc/82/55/28/1300825528.db2.gz WMTDLUHQEVDLKI-UHFFFAOYSA-N 1 2 325.387 3.005 20 30 EGEDLO Cn1cc(N=NC2CC[NH+](Cc3c(F)cccc3Cl)CC2)cn1 ZINC000761864174 1301557010 /nfs/dbraw/zinc/55/70/10/1301557010.db2.gz FZFZGBKJVTYSGJ-UHFFFAOYSA-N 1 2 335.814 3.277 20 30 EGEDLO CN(CCCn1cc[nH+]c1)C(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000767683953 1302744504 /nfs/dbraw/zinc/74/45/04/1302744504.db2.gz GNISSIHERCQCFP-UHFFFAOYSA-N 1 2 333.848 3.127 20 30 EGEDLO C=CCC1(O)CC[NH+](Cn2ccn(Cc3ccccc3)c2=S)CC1 ZINC000884478972 1302874659 /nfs/dbraw/zinc/87/46/59/1302874659.db2.gz RELDXPCMBJXHNJ-UHFFFAOYSA-N 1 2 343.496 3.428 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2nccc3ccccc32)c1 ZINC000768915677 1303012428 /nfs/dbraw/zinc/01/24/28/1303012428.db2.gz MOWDGRAEPFVRIG-UHFFFAOYSA-N 1 2 329.403 3.287 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2nccc3ccccc32)c1 ZINC000768915677 1303012437 /nfs/dbraw/zinc/01/24/37/1303012437.db2.gz MOWDGRAEPFVRIG-UHFFFAOYSA-N 1 2 329.403 3.287 20 30 EGEDLO Cc1c(C#N)cccc1NC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000770295617 1303245797 /nfs/dbraw/zinc/24/57/97/1303245797.db2.gz BETJPESPNURVIN-MRXNPFEDSA-N 1 2 325.416 3.300 20 30 EGEDLO COCCc1nc(C)c(C(C)=NNc2cc[nH+]c3ccccc23)s1 ZINC000770606065 1303293009 /nfs/dbraw/zinc/29/30/09/1303293009.db2.gz ISBWGNKNAHYCDM-UHFFFAOYSA-N 1 2 340.452 3.447 20 30 EGEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc(N2CCOCC2)cc1 ZINC000771282113 1303386385 /nfs/dbraw/zinc/38/63/85/1303386385.db2.gz VYIVHTXJCYZPDG-CMDGGOBGSA-N 1 2 333.391 3.067 20 30 EGEDLO C=CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000886768452 1303591618 /nfs/dbraw/zinc/59/16/18/1303591618.db2.gz AVRAJXGZRMBJGR-GFCCVEGCSA-N 1 2 340.826 3.209 20 30 EGEDLO C=CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000886770952 1303592839 /nfs/dbraw/zinc/59/28/39/1303592839.db2.gz ANHQVQCBUGJCTI-CQSZACIVSA-N 1 2 336.863 3.378 20 30 EGEDLO C#CC[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000775398741 1303956037 /nfs/dbraw/zinc/95/60/37/1303956037.db2.gz LLAIXWIALHQGGK-KRWDZBQOSA-N 1 2 348.362 3.499 20 30 EGEDLO C#C[C@H]([NH2+][C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1)[C@H]1CCCO1 ZINC000775801990 1304040913 /nfs/dbraw/zinc/04/09/13/1304040913.db2.gz XVKGJMPATPJXDF-HBMCJLEFSA-N 1 2 348.446 3.445 20 30 EGEDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)O[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000778595153 1304472264 /nfs/dbraw/zinc/47/22/64/1304472264.db2.gz LIOJBBZNFVTEQW-GFCCVEGCSA-N 1 2 341.367 3.236 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[NH+]1CCN(c2ccccn2)CC1 ZINC000779148347 1304534109 /nfs/dbraw/zinc/53/41/09/1304534109.db2.gz PLQGPFUQEIEXSJ-UHFFFAOYSA-N 1 2 341.842 3.069 20 30 EGEDLO C[NH+](C)[C@@H](C(=O)OCc1cn2ccccc2c1C#N)c1ccccc1 ZINC000780092829 1304638700 /nfs/dbraw/zinc/63/87/00/1304638700.db2.gz OXHMNDYMGJQUSU-LJQANCHMSA-N 1 2 333.391 3.157 20 30 EGEDLO C=C1CCC(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)CC1 ZINC000890497982 1304804194 /nfs/dbraw/zinc/80/41/94/1304804194.db2.gz XYSRFEIVJURWRO-UHFFFAOYSA-N 1 2 333.501 3.354 20 30 EGEDLO CCC[C@H]1CCc2c(sc(=O)n2C[NH+]2CCC(CC#N)CC2)C1 ZINC000781572777 1304844348 /nfs/dbraw/zinc/84/43/48/1304844348.db2.gz VWCFJZJUDHHLMG-HNNXBMFYSA-N 1 2 333.501 3.398 20 30 EGEDLO CC(C)c1cnc(CO[NH+]=C(N)c2ccc(Br)cc2)o1 ZINC000782949730 1305027633 /nfs/dbraw/zinc/02/76/33/1305027633.db2.gz XPMPDCGVLDFULP-UHFFFAOYSA-N 1 2 338.205 3.398 20 30 EGEDLO C#CCNC(=O)C[NH2+][C@@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000783892692 1305158706 /nfs/dbraw/zinc/15/87/06/1305158706.db2.gz KTEMRKCXVJLYBD-SFHVURJKSA-N 1 2 347.245 3.422 20 30 EGEDLO C=CCn1nnn(C[N@H+]2C[C@H](C)C[C@H]2c2cccc(OC)c2)c1=S ZINC000784009126 1305174977 /nfs/dbraw/zinc/17/49/77/1305174977.db2.gz KHBMTDPSPFTEDW-CJNGLKHVSA-N 1 2 345.472 3.044 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2C[C@H](C)C[C@H]2c2cccc(OC)c2)c1=S ZINC000784009126 1305174981 /nfs/dbraw/zinc/17/49/81/1305174981.db2.gz KHBMTDPSPFTEDW-CJNGLKHVSA-N 1 2 345.472 3.044 20 30 EGEDLO C#CC[N@@H+](Cc1cc(Br)nn1C)[C@H]1CCc2ccccc21 ZINC000787044331 1305683174 /nfs/dbraw/zinc/68/31/74/1305683174.db2.gz ZZYKQIFJWSUCNV-INIZCTEOSA-N 1 2 344.256 3.305 20 30 EGEDLO C#CC[N@H+](Cc1cc(Br)nn1C)[C@H]1CCc2ccccc21 ZINC000787044331 1305683182 /nfs/dbraw/zinc/68/31/82/1305683182.db2.gz ZZYKQIFJWSUCNV-INIZCTEOSA-N 1 2 344.256 3.305 20 30 EGEDLO C=CCOCCCC(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788245064 1305905522 /nfs/dbraw/zinc/90/55/22/1305905522.db2.gz PZTUQVODQPGEAI-INIZCTEOSA-N 1 2 345.487 3.414 20 30 EGEDLO C=CCOCCCC(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788245064 1305905532 /nfs/dbraw/zinc/90/55/32/1305905532.db2.gz PZTUQVODQPGEAI-INIZCTEOSA-N 1 2 345.487 3.414 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788246177 1305905839 /nfs/dbraw/zinc/90/58/39/1305905839.db2.gz PTIDZXKCTSVDJK-ZBFHGGJFSA-N 1 2 345.487 3.412 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788246177 1305905846 /nfs/dbraw/zinc/90/58/46/1305905846.db2.gz PTIDZXKCTSVDJK-ZBFHGGJFSA-N 1 2 345.487 3.412 20 30 EGEDLO CCN(C)c1ccc(C=[NH+]NC(=S)Nc2ccc(C)cc2)cn1 ZINC000790144371 1306268227 /nfs/dbraw/zinc/26/82/27/1306268227.db2.gz POHPUGCSQRQAOM-UHFFFAOYSA-N 1 2 327.457 3.167 20 30 EGEDLO COC(=O)c1csc(C(=O)/C=C/c2c[nH+]c3c(C)cccn23)c1 ZINC000794725827 1309582274 /nfs/dbraw/zinc/58/22/74/1309582274.db2.gz PKIUYWQSXRJGLF-AATRIKPKSA-N 1 2 326.377 3.387 20 30 EGEDLO COc1cc2c(cc1OC)C(=O)/C(=C/c1c[nH+]c3cccc(C)n13)C2 ZINC000794962501 1309634756 /nfs/dbraw/zinc/63/47/56/1309634756.db2.gz ZJMMFRKPEKDPTN-RIYZIHGNSA-N 1 2 334.375 3.482 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OCC#Cc1ccccc1 ZINC000796006623 1309883529 /nfs/dbraw/zinc/88/35/29/1309883529.db2.gz AUTIGKJSHFOFPM-UHFFFAOYSA-N 1 2 340.329 3.218 20 30 EGEDLO N#CC1(c2ccccn2)CC[NH+](Cn2cc(-c3ccccc3)cn2)CC1 ZINC000799943772 1310641721 /nfs/dbraw/zinc/64/17/21/1310641721.db2.gz UUHGFBYXEBERKM-UHFFFAOYSA-N 1 2 343.434 3.460 20 30 EGEDLO O=C1C=C([NH2+]Nc2cc(Br)ccc2F)[C@H]2CCCCN12 ZINC000901321156 1317404636 /nfs/dbraw/zinc/40/46/36/1317404636.db2.gz UQAIUKSLPVNTOW-CYBMUJFWSA-N 1 2 340.196 3.141 20 30 EGEDLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000805774630 1317423501 /nfs/dbraw/zinc/42/35/01/1317423501.db2.gz PATPJQWOUPFXQA-QGZVFWFLSA-N 1 2 333.407 3.188 20 30 EGEDLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000805774630 1317423502 /nfs/dbraw/zinc/42/35/02/1317423502.db2.gz PATPJQWOUPFXQA-QGZVFWFLSA-N 1 2 333.407 3.188 20 30 EGEDLO C=CCc1cc(OCC)cc(C[N@@H+]2CCc3c(ncn3CC)C2)c1O ZINC000902550666 1317592019 /nfs/dbraw/zinc/59/20/19/1317592019.db2.gz FZNAXWYTCLUCNY-UHFFFAOYSA-N 1 2 341.455 3.294 20 30 EGEDLO C=CCc1cc(OCC)cc(C[N@H+]2CCc3c(ncn3CC)C2)c1O ZINC000902550666 1317592025 /nfs/dbraw/zinc/59/20/25/1317592025.db2.gz FZNAXWYTCLUCNY-UHFFFAOYSA-N 1 2 341.455 3.294 20 30 EGEDLO N#Cc1cc(Br)ccc1CO[NH+]=C(N)c1ccccc1 ZINC000808243766 1317649905 /nfs/dbraw/zinc/64/99/05/1317649905.db2.gz IFFFZYYWDSDNHS-UHFFFAOYSA-N 1 2 330.185 3.368 20 30 EGEDLO C[C@@H]1CCCC[C@@H]1CC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000957872946 1317672274 /nfs/dbraw/zinc/67/22/74/1317672274.db2.gz QHGBEWFRNMKXMX-YLJYHZDGSA-N 1 2 339.483 3.419 20 30 EGEDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cc(O)cc(C#N)c1 ZINC000811184519 1318118435 /nfs/dbraw/zinc/11/84/35/1318118435.db2.gz PPLXWKJQMJGGNC-UHFFFAOYSA-N 1 2 333.347 3.115 20 30 EGEDLO C=CC[N@H+](Cc1ccccc1)CN1C(=O)C(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000811731762 1318243014 /nfs/dbraw/zinc/24/30/14/1318243014.db2.gz IWPSHAOXCYXUCS-ROUUACIJSA-N 1 2 328.456 3.048 20 30 EGEDLO C=CC[N@@H+](Cc1ccccc1)CN1C(=O)C(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000811731762 1318243025 /nfs/dbraw/zinc/24/30/25/1318243025.db2.gz IWPSHAOXCYXUCS-ROUUACIJSA-N 1 2 328.456 3.048 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)CN1CC[C@@H](Cc2ccccc2)C1=O ZINC000811760845 1318257548 /nfs/dbraw/zinc/25/75/48/1318257548.db2.gz JJKAFLUKVXXFOR-IBGZPJMESA-N 1 2 338.451 3.359 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)CN1CC[C@@H](Cc2ccccc2)C1=O ZINC000811760845 1318257555 /nfs/dbraw/zinc/25/75/55/1318257555.db2.gz JJKAFLUKVXXFOR-IBGZPJMESA-N 1 2 338.451 3.359 20 30 EGEDLO CC[C@H](C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000960449107 1318570665 /nfs/dbraw/zinc/57/06/65/1318570665.db2.gz ITYPJPCSICZXOR-KBXCAEBGSA-N 1 2 331.435 3.166 20 30 EGEDLO CC[C@H](C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000960449107 1318570669 /nfs/dbraw/zinc/57/06/69/1318570669.db2.gz ITYPJPCSICZXOR-KBXCAEBGSA-N 1 2 331.435 3.166 20 30 EGEDLO C[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cc(F)ccc1C#N)C1CC1 ZINC000960527914 1318643300 /nfs/dbraw/zinc/64/33/00/1318643300.db2.gz KTHAZKCSSCWTTG-KUHUBIRLSA-N 1 2 343.446 3.166 20 30 EGEDLO C[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N)C1CC1 ZINC000960527914 1318643310 /nfs/dbraw/zinc/64/33/10/1318643310.db2.gz KTHAZKCSSCWTTG-KUHUBIRLSA-N 1 2 343.446 3.166 20 30 EGEDLO C=C(C)COc1cc(C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)ccc1OC ZINC000814181236 1318693552 /nfs/dbraw/zinc/69/35/52/1318693552.db2.gz XUWSESHGCIDSBO-OAHLLOKOSA-N 1 2 333.428 3.176 20 30 EGEDLO C=C(C)COc1cc(C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)ccc1OC ZINC000814181236 1318693561 /nfs/dbraw/zinc/69/35/61/1318693561.db2.gz XUWSESHGCIDSBO-OAHLLOKOSA-N 1 2 333.428 3.176 20 30 EGEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2F)s1 ZINC000814190858 1318694804 /nfs/dbraw/zinc/69/48/04/1318694804.db2.gz JZIYGCYZOKVTIW-WAYWQWQTSA-N 1 2 335.360 3.148 20 30 EGEDLO Nc1ncc2c(n1)CCCC2=[NH+]Nc1ccnc2cc(Cl)ccc21 ZINC000814693897 1318801170 /nfs/dbraw/zinc/80/11/70/1318801170.db2.gz MTFOOKHZHQMSJP-UHFFFAOYSA-N 1 2 338.802 3.413 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2coc(C3CC3)n2)C1 ZINC000960845304 1318979647 /nfs/dbraw/zinc/97/96/47/1318979647.db2.gz DPYKNWJOVOWOLG-KRWDZBQOSA-N 1 2 343.471 3.331 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2coc(C3CC3)n2)C1 ZINC000960845304 1318979659 /nfs/dbraw/zinc/97/96/59/1318979659.db2.gz DPYKNWJOVOWOLG-KRWDZBQOSA-N 1 2 343.471 3.331 20 30 EGEDLO CC(=[NH+]Nc1nc2ccccc2n1C)c1ccc(N2CCOCC2)cc1 ZINC000915967208 1319573316 /nfs/dbraw/zinc/57/33/16/1319573316.db2.gz FHAGTDWWWNPEDY-UHFFFAOYSA-N 1 2 349.438 3.246 20 30 EGEDLO C=CC[N@@H+](CCS(=O)(=O)c1ccc(Br)cc1)C(C)C ZINC000917070803 1319748419 /nfs/dbraw/zinc/74/84/19/1319748419.db2.gz FRBNZADRKTUEIY-UHFFFAOYSA-N 1 2 346.290 3.119 20 30 EGEDLO C=CC[N@H+](CCS(=O)(=O)c1ccc(Br)cc1)C(C)C ZINC000917070803 1319748426 /nfs/dbraw/zinc/74/84/26/1319748426.db2.gz FRBNZADRKTUEIY-UHFFFAOYSA-N 1 2 346.290 3.119 20 30 EGEDLO C#C[C@@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000820572259 1319913955 /nfs/dbraw/zinc/91/39/55/1319913955.db2.gz DOWOIPKXLZAQKS-GDBMZVCRSA-N 1 2 342.830 3.327 20 30 EGEDLO COc1ccc(C(=O)/C=C\c2ccc(N)[nH+]c2)cc1Br ZINC000821031990 1319994837 /nfs/dbraw/zinc/99/48/37/1319994837.db2.gz PSUPLTJRUIYJGI-DJWKRKHSSA-N 1 2 333.185 3.331 20 30 EGEDLO N#C[C@H]1CCCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000930556562 1328895878 /nfs/dbraw/zinc/89/58/78/1328895878.db2.gz XSXIXFGYCWYMKO-OAHLLOKOSA-N 1 2 347.422 3.369 20 30 EGEDLO C#CC[C@@H]([NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1)C(=O)OC ZINC000839166787 1320883814 /nfs/dbraw/zinc/88/38/14/1320883814.db2.gz ANJUXCBROONTCH-OBXNSHGQSA-N 1 2 343.467 3.095 20 30 EGEDLO C=C(Br)C[NH+]1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839200954 1320893981 /nfs/dbraw/zinc/89/39/81/1320893981.db2.gz LJDPTKWRWNHUPW-UHFFFAOYSA-N 1 2 331.641 3.487 20 30 EGEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000839600765 1320943783 /nfs/dbraw/zinc/94/37/83/1320943783.db2.gz FHYNFZFGORJLLB-INIZCTEOSA-N 1 2 338.476 3.157 20 30 EGEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000839600765 1320943786 /nfs/dbraw/zinc/94/37/86/1320943786.db2.gz FHYNFZFGORJLLB-INIZCTEOSA-N 1 2 338.476 3.157 20 30 EGEDLO N#CC[C@@H](CC(=O)OCC1CN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000842887698 1321444910 /nfs/dbraw/zinc/44/49/10/1321444910.db2.gz UHFTVPFCWYNLHJ-SFHVURJKSA-N 1 2 335.407 3.149 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844451913 1321608671 /nfs/dbraw/zinc/60/86/71/1321608671.db2.gz BBNNEPBBBSLGSL-OIISXLGYSA-N 1 2 347.409 3.136 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844451913 1321608678 /nfs/dbraw/zinc/60/86/78/1321608678.db2.gz BBNNEPBBBSLGSL-OIISXLGYSA-N 1 2 347.409 3.136 20 30 EGEDLO CC(C)(C)OC(=O)C[N@H+](Cc1ccc(OCC#N)cc1)C1CCC1 ZINC000847087843 1321840080 /nfs/dbraw/zinc/84/00/80/1321840080.db2.gz UJUDBUSNPXSKCQ-UHFFFAOYSA-N 1 2 330.428 3.285 20 30 EGEDLO CC(C)(C)OC(=O)C[N@@H+](Cc1ccc(OCC#N)cc1)C1CCC1 ZINC000847087843 1321840085 /nfs/dbraw/zinc/84/00/85/1321840085.db2.gz UJUDBUSNPXSKCQ-UHFFFAOYSA-N 1 2 330.428 3.285 20 30 EGEDLO C[C@H](NC(=O)N1CCC(Nc2cccc[nH+]2)CC1)c1cccc(C#N)c1 ZINC000920997098 1322242281 /nfs/dbraw/zinc/24/22/81/1322242281.db2.gz WKTJMHKWJBHSJW-HNNXBMFYSA-N 1 2 349.438 3.300 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2CNC(=O)C2CC=CC2)c1 ZINC001024368091 1323341908 /nfs/dbraw/zinc/34/19/08/1323341908.db2.gz VENBXPUUWQRLRM-GOSISDBHSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2CNC(=O)C2CC=CC2)c1 ZINC001024368091 1323341912 /nfs/dbraw/zinc/34/19/12/1323341912.db2.gz VENBXPUUWQRLRM-GOSISDBHSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC001024478972 1323431621 /nfs/dbraw/zinc/43/16/21/1323431621.db2.gz WZQHFTHASIXQNV-OAHLLOKOSA-N 1 2 349.862 3.001 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC001024478972 1323431628 /nfs/dbraw/zinc/43/16/28/1323431628.db2.gz WZQHFTHASIXQNV-OAHLLOKOSA-N 1 2 349.862 3.001 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccnc1C1CC1 ZINC001024530339 1323474694 /nfs/dbraw/zinc/47/46/94/1323474694.db2.gz GHDKXAHREYRJSM-HNNXBMFYSA-N 1 2 333.863 3.296 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccnc1C1CC1 ZINC001024530339 1323474700 /nfs/dbraw/zinc/47/47/00/1323474700.db2.gz GHDKXAHREYRJSM-HNNXBMFYSA-N 1 2 333.863 3.296 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2cccnc21 ZINC001024617639 1323546296 /nfs/dbraw/zinc/54/62/96/1323546296.db2.gz LEIWJZCGQOUAEK-IAGOWNOFSA-N 1 2 347.890 3.225 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2cccnc21 ZINC001024617639 1323546299 /nfs/dbraw/zinc/54/62/99/1323546299.db2.gz LEIWJZCGQOUAEK-IAGOWNOFSA-N 1 2 347.890 3.225 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ncc(CC)o2)CC1 ZINC001024632762 1323559436 /nfs/dbraw/zinc/55/94/36/1323559436.db2.gz ATSSAWWJFQHQCA-KRWDZBQOSA-N 1 2 345.487 3.454 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ncc(CC)o2)CC1 ZINC001024632762 1323559439 /nfs/dbraw/zinc/55/94/39/1323559439.db2.gz ATSSAWWJFQHQCA-KRWDZBQOSA-N 1 2 345.487 3.454 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001024640927 1323566759 /nfs/dbraw/zinc/56/67/59/1323566759.db2.gz CISPKMNJAANBIM-RBSFLKMASA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001024640927 1323566761 /nfs/dbraw/zinc/56/67/61/1323566761.db2.gz CISPKMNJAANBIM-RBSFLKMASA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ncccc1Cl ZINC001024768486 1323667198 /nfs/dbraw/zinc/66/71/98/1323667198.db2.gz ROVOVCAULRTMSS-GFCCVEGCSA-N 1 2 328.243 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ncccc1Cl ZINC001024768486 1323667203 /nfs/dbraw/zinc/66/72/03/1323667203.db2.gz ROVOVCAULRTMSS-GFCCVEGCSA-N 1 2 328.243 3.072 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2nc(C(C)C)no2)C1 ZINC001025074091 1323875143 /nfs/dbraw/zinc/87/51/43/1323875143.db2.gz DHFAEOQLKLOELC-OAHLLOKOSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@H+](Cc3nncs3)C2)CC1 ZINC001025520831 1324365999 /nfs/dbraw/zinc/36/59/99/1324365999.db2.gz AXMOOOYBLKYTJT-ZBFHGGJFSA-N 1 2 348.516 3.001 20 30 EGEDLO C=C1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](Cc3nncs3)C2)CC1 ZINC001025520831 1324366007 /nfs/dbraw/zinc/36/60/07/1324366007.db2.gz AXMOOOYBLKYTJT-ZBFHGGJFSA-N 1 2 348.516 3.001 20 30 EGEDLO CC(=[NH+]Nc1ccnc(Cl)c1)c1cccc(N2CCOCC2)c1 ZINC000853394670 1325088413 /nfs/dbraw/zinc/08/84/13/1325088413.db2.gz WIXPAJZSQWRURF-UHFFFAOYSA-N 1 2 330.819 3.408 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1C[C@@H](OCC)[C@@]12CCCO2 ZINC000853479373 1325100831 /nfs/dbraw/zinc/10/08/31/1325100831.db2.gz ZGYORHVDSSRGTH-ZHALLVOQSA-N 1 2 330.428 3.012 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2c(F)cc(F)cc2F)C1 ZINC001033377305 1341802581 /nfs/dbraw/zinc/80/25/81/1341802581.db2.gz ADSIAXFPPSIZBP-NSHDSACASA-N 1 2 332.753 3.003 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2c(F)cc(F)cc2F)C1 ZINC001033377305 1341802582 /nfs/dbraw/zinc/80/25/82/1341802582.db2.gz ADSIAXFPPSIZBP-NSHDSACASA-N 1 2 332.753 3.003 20 30 EGEDLO Cc1csc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2C#N)c1 ZINC001027873431 1328336993 /nfs/dbraw/zinc/33/69/93/1328336993.db2.gz FXEBSCORVCGBGW-KRWDZBQOSA-N 1 2 339.464 3.323 20 30 EGEDLO Cc1csc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2C#N)c1 ZINC001027873431 1328337003 /nfs/dbraw/zinc/33/70/03/1328337003.db2.gz FXEBSCORVCGBGW-KRWDZBQOSA-N 1 2 339.464 3.323 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2ccco2)o1 ZINC001028017801 1328479729 /nfs/dbraw/zinc/47/97/29/1328479729.db2.gz XUXNULJWKDWCME-ZDUSSCGKSA-N 1 2 334.803 3.486 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2ccco2)o1 ZINC001028017801 1328479732 /nfs/dbraw/zinc/47/97/32/1328479732.db2.gz XUXNULJWKDWCME-ZDUSSCGKSA-N 1 2 334.803 3.486 20 30 EGEDLO Cc1cccc(C)c1C[N@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000933765503 1329920214 /nfs/dbraw/zinc/92/02/14/1329920214.db2.gz VAVUXUMLSKEDQQ-UHFFFAOYSA-N 1 2 346.434 3.169 20 30 EGEDLO Cc1cccc(C)c1C[N@@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000933765503 1329920216 /nfs/dbraw/zinc/92/02/16/1329920216.db2.gz VAVUXUMLSKEDQQ-UHFFFAOYSA-N 1 2 346.434 3.169 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CC2CCC2)C(C)(C)C1 ZINC000940633439 1331134085 /nfs/dbraw/zinc/13/40/85/1331134085.db2.gz ADSKOKAMVFOMKG-AWEZNQCLSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CC2CCC2)C(C)(C)C1 ZINC000940633439 1331134087 /nfs/dbraw/zinc/13/40/87/1331134087.db2.gz ADSKOKAMVFOMKG-AWEZNQCLSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001063294469 1351799796 /nfs/dbraw/zinc/79/97/96/1351799796.db2.gz CTIKZPDMEHRYNK-VQIMIIECSA-N 1 2 330.476 3.428 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C2CCCC2)C[C@@H]1C ZINC000946976629 1332951532 /nfs/dbraw/zinc/95/15/32/1332951532.db2.gz XWGBOWFNHODTOY-GXTWGEPZSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C2CCCC2)C[C@@H]1C ZINC000946976629 1332951535 /nfs/dbraw/zinc/95/15/35/1332951535.db2.gz XWGBOWFNHODTOY-GXTWGEPZSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)CC2CCCC2)C[C@H]1C ZINC000947015046 1332974203 /nfs/dbraw/zinc/97/42/03/1332974203.db2.gz ZGEBOGDMMPYTAF-UKRRQHHQSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)CC2CCCC2)C[C@H]1C ZINC000947015046 1332974206 /nfs/dbraw/zinc/97/42/06/1332974206.db2.gz ZGEBOGDMMPYTAF-UKRRQHHQSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C)o2)C[C@@H]1C ZINC000947026416 1332978770 /nfs/dbraw/zinc/97/87/70/1332978770.db2.gz LPZOCBAWYVZJHF-WCQYABFASA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)o2)C[C@@H]1C ZINC000947026416 1332978773 /nfs/dbraw/zinc/97/87/73/1332978773.db2.gz LPZOCBAWYVZJHF-WCQYABFASA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C2CC2)C[C@@H]1C ZINC000947635429 1333202507 /nfs/dbraw/zinc/20/25/07/1333202507.db2.gz VLHAMJUDXBTWIN-GXTWGEPZSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C2CC2)C[C@@H]1C ZINC000947635429 1333202509 /nfs/dbraw/zinc/20/25/09/1333202509.db2.gz VLHAMJUDXBTWIN-GXTWGEPZSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C)cn3)[C@H](C)C2)CC1 ZINC000947690300 1333224888 /nfs/dbraw/zinc/22/48/88/1333224888.db2.gz UPWLOHXONCZKAC-AEFFLSMTSA-N 1 2 342.487 3.001 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C)cn3)[C@H](C)C2)CC1 ZINC000947690300 1333224892 /nfs/dbraw/zinc/22/48/92/1333224892.db2.gz UPWLOHXONCZKAC-AEFFLSMTSA-N 1 2 342.487 3.001 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC000948928060 1333736865 /nfs/dbraw/zinc/73/68/65/1333736865.db2.gz GRTAVVOSGAYDBC-TZIWHRDSSA-N 1 2 336.479 3.472 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC000948928060 1333736867 /nfs/dbraw/zinc/73/68/67/1333736867.db2.gz GRTAVVOSGAYDBC-TZIWHRDSSA-N 1 2 336.479 3.472 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1csc(Cl)c1 ZINC000948966233 1333749745 /nfs/dbraw/zinc/74/97/45/1333749745.db2.gz WUDMFSFZLQQBPS-MRXNPFEDSA-N 1 2 344.867 3.364 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1csc(Cl)c1 ZINC000948966233 1333749749 /nfs/dbraw/zinc/74/97/49/1333749749.db2.gz WUDMFSFZLQQBPS-MRXNPFEDSA-N 1 2 344.867 3.364 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1scnc1Cl ZINC000948987243 1333760683 /nfs/dbraw/zinc/76/06/83/1333760683.db2.gz VFECIFJAROJDSD-AWEZNQCLSA-N 1 2 347.871 3.312 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1scnc1Cl ZINC000948987243 1333760686 /nfs/dbraw/zinc/76/06/86/1333760686.db2.gz VFECIFJAROJDSD-AWEZNQCLSA-N 1 2 347.871 3.312 20 30 EGEDLO C#CCCCCCC(=O)N1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC001113205055 1369260942 /nfs/dbraw/zinc/26/09/42/1369260942.db2.gz IZQDZTIMDSWIDI-OAHLLOKOSA-N 1 2 345.314 3.298 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccnc2C(F)F)C1 ZINC000967290837 1335691950 /nfs/dbraw/zinc/69/19/50/1335691950.db2.gz DNXGHNAUQXSJQX-ZWNOBZJWSA-N 1 2 343.805 3.212 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccnc2C(F)F)C1 ZINC000967290837 1335691953 /nfs/dbraw/zinc/69/19/53/1335691953.db2.gz DNXGHNAUQXSJQX-ZWNOBZJWSA-N 1 2 343.805 3.212 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc3ccccc3n2C)C1 ZINC000968077589 1335854225 /nfs/dbraw/zinc/85/42/25/1335854225.db2.gz IOEPVVQEHQRULX-BBRMVZONSA-N 1 2 345.874 3.371 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc3ccccc3n2C)C1 ZINC000968077589 1335854226 /nfs/dbraw/zinc/85/42/26/1335854226.db2.gz IOEPVVQEHQRULX-BBRMVZONSA-N 1 2 345.874 3.371 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)on3)CC[C@@H]2C)CC1 ZINC000968190377 1335868824 /nfs/dbraw/zinc/86/88/24/1335868824.db2.gz KHHZELYHNJGWEV-KBXCAEBGSA-N 1 2 331.460 3.056 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)on3)CC[C@@H]2C)CC1 ZINC000968190377 1335868827 /nfs/dbraw/zinc/86/88/27/1335868827.db2.gz KHHZELYHNJGWEV-KBXCAEBGSA-N 1 2 331.460 3.056 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2ccc(CC)cc2)C1 ZINC000968364865 1335904367 /nfs/dbraw/zinc/90/43/67/1335904367.db2.gz KSVJKYXRNNZMTG-KBXCAEBGSA-N 1 2 334.891 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2ccc(CC)cc2)C1 ZINC000968364865 1335904369 /nfs/dbraw/zinc/90/43/69/1335904369.db2.gz KSVJKYXRNNZMTG-KBXCAEBGSA-N 1 2 334.891 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3ccn(C)c3c2)C1 ZINC000968503964 1335944723 /nfs/dbraw/zinc/94/47/23/1335944723.db2.gz CWSHKAGPTFZVMW-DYVFJYSZSA-N 1 2 345.874 3.371 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3ccn(C)c3c2)C1 ZINC000968503964 1335944727 /nfs/dbraw/zinc/94/47/27/1335944727.db2.gz CWSHKAGPTFZVMW-DYVFJYSZSA-N 1 2 345.874 3.371 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC000968554931 1335960761 /nfs/dbraw/zinc/96/07/61/1335960761.db2.gz YSFMKMLVKHEKKD-SUMWQHHRSA-N 1 2 337.895 3.406 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC000968554931 1335960767 /nfs/dbraw/zinc/96/07/67/1335960767.db2.gz YSFMKMLVKHEKKD-SUMWQHHRSA-N 1 2 337.895 3.406 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC000968635640 1335990914 /nfs/dbraw/zinc/99/09/14/1335990914.db2.gz NUOPIPYTRZYZQI-ACJLOTCBSA-N 1 2 332.875 3.368 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC000968635640 1335990919 /nfs/dbraw/zinc/99/09/19/1335990919.db2.gz NUOPIPYTRZYZQI-ACJLOTCBSA-N 1 2 332.875 3.368 20 30 EGEDLO C[C@@H](NC(=O)C1CCCC1)C1C[NH+](CC#Cc2ccccc2Cl)C1 ZINC000969196171 1336174532 /nfs/dbraw/zinc/17/45/32/1336174532.db2.gz PGYDTPWPRKTTFI-OAHLLOKOSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([NH2+]Cc2ncc(C(C)(C)C)o2)C1 ZINC000969831752 1336252268 /nfs/dbraw/zinc/25/22/68/1336252268.db2.gz KGKBRHIKJBFXKU-AUUYWEPGSA-N 1 2 333.476 3.265 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C2CCc3ccccc3CC2)C1 ZINC000970012012 1336271581 /nfs/dbraw/zinc/27/15/81/1336271581.db2.gz IBWGKCPNSKDPNQ-OAHLLOKOSA-N 1 2 346.902 3.371 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cncc3sccc32)C1 ZINC000970326472 1336294610 /nfs/dbraw/zinc/29/46/10/1336294610.db2.gz SQONIDZMDLDXPU-NSHDSACASA-N 1 2 335.860 3.099 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)c2cc(C)co2)CC1 ZINC001005850899 1336409515 /nfs/dbraw/zinc/40/95/15/1336409515.db2.gz CVRUHOPOFRNKHK-UHFFFAOYSA-N 1 2 341.249 3.033 20 30 EGEDLO C=C1CCC(C(=O)N(C)C2CC[NH+]([C@H](C)c3nc(C)no3)CC2)CC1 ZINC001005934392 1336425550 /nfs/dbraw/zinc/42/55/50/1336425550.db2.gz GIZPTYDNHVAGHJ-CQSZACIVSA-N 1 2 346.475 3.108 20 30 EGEDLO Cc1ccsc1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001006605457 1336537273 /nfs/dbraw/zinc/53/72/73/1336537273.db2.gz ZKBGEGMKVYAILX-GOSISDBHSA-N 1 2 338.476 3.302 20 30 EGEDLO Cc1ccsc1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001006605457 1336537278 /nfs/dbraw/zinc/53/72/78/1336537278.db2.gz ZKBGEGMKVYAILX-GOSISDBHSA-N 1 2 338.476 3.302 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](NC(=O)c3ccccc3)C2)c1 ZINC001006615904 1336539776 /nfs/dbraw/zinc/53/97/76/1336539776.db2.gz PUWUUQYGKMXUGZ-SFHVURJKSA-N 1 2 337.398 3.092 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](NC(=O)c3ccccc3)C2)c1 ZINC001006615904 1336539779 /nfs/dbraw/zinc/53/97/79/1336539779.db2.gz PUWUUQYGKMXUGZ-SFHVURJKSA-N 1 2 337.398 3.092 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)c3ccccc3)C2)ccc1F ZINC001006617578 1336540176 /nfs/dbraw/zinc/54/01/76/1336540176.db2.gz XHIHZSKWRLSUMN-SFHVURJKSA-N 1 2 337.398 3.092 20 30 EGEDLO N#Cc1cc(C[N@H+]2CCC[C@H](NC(=O)c3ccccc3)C2)ccc1F ZINC001006617578 1336540178 /nfs/dbraw/zinc/54/01/78/1336540178.db2.gz XHIHZSKWRLSUMN-SFHVURJKSA-N 1 2 337.398 3.092 20 30 EGEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1cccs1 ZINC001006625429 1336541885 /nfs/dbraw/zinc/54/18/85/1336541885.db2.gz NKBQETIJOQKJTD-QGZVFWFLSA-N 1 2 342.439 3.133 20 30 EGEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)c1cccs1 ZINC001006625429 1336541889 /nfs/dbraw/zinc/54/18/89/1336541889.db2.gz NKBQETIJOQKJTD-QGZVFWFLSA-N 1 2 342.439 3.133 20 30 EGEDLO Cc1cscc1C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001007033187 1336629602 /nfs/dbraw/zinc/62/96/02/1336629602.db2.gz FWWUOKZPTVOVPV-SFHVURJKSA-N 1 2 338.476 3.302 20 30 EGEDLO Cc1cscc1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001007033187 1336629604 /nfs/dbraw/zinc/62/96/04/1336629604.db2.gz FWWUOKZPTVOVPV-SFHVURJKSA-N 1 2 338.476 3.302 20 30 EGEDLO CC1(C)C[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001007125636 1336647324 /nfs/dbraw/zinc/64/73/24/1336647324.db2.gz BAPYKMFQTITMIX-ZWKOTPCHSA-N 1 2 344.886 3.318 20 30 EGEDLO CC1(C)C[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001007125636 1336647328 /nfs/dbraw/zinc/64/73/28/1336647328.db2.gz BAPYKMFQTITMIX-ZWKOTPCHSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2-c2cn[nH]c2)C1 ZINC001007471327 1336653762 /nfs/dbraw/zinc/65/37/62/1336653762.db2.gz DULBTMWFSPUYJG-HNNXBMFYSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccccc2-c2cn[nH]c2)C1 ZINC001007471327 1336653764 /nfs/dbraw/zinc/65/37/64/1336653764.db2.gz DULBTMWFSPUYJG-HNNXBMFYSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC001007474913 1336654103 /nfs/dbraw/zinc/65/41/03/1336654103.db2.gz WGCBQJPWUUONMH-INIZCTEOSA-N 1 2 331.847 3.194 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC001007474913 1336654105 /nfs/dbraw/zinc/65/41/05/1336654105.db2.gz WGCBQJPWUUONMH-INIZCTEOSA-N 1 2 331.847 3.194 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001007651146 1336683816 /nfs/dbraw/zinc/68/38/16/1336683816.db2.gz ZRNDOAKQDAVPKO-IPFXWSOASA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001007651146 1336683819 /nfs/dbraw/zinc/68/38/19/1336683819.db2.gz ZRNDOAKQDAVPKO-IPFXWSOASA-N 1 2 337.467 3.219 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC001007819004 1336707597 /nfs/dbraw/zinc/70/75/97/1336707597.db2.gz VPCIRQOSTMJAGQ-QGZVFWFLSA-N 1 2 343.858 3.424 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC001007819004 1336707601 /nfs/dbraw/zinc/70/76/01/1336707601.db2.gz VPCIRQOSTMJAGQ-QGZVFWFLSA-N 1 2 343.858 3.424 20 30 EGEDLO C[C@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)C[C@H]2C[C@H]2C1 ZINC001008049608 1336758101 /nfs/dbraw/zinc/75/81/01/1336758101.db2.gz VGHNBZFDRXIQDF-HDAAZOAOSA-N 1 2 337.467 3.075 20 30 EGEDLO C[C@]1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)C[C@H]2C[C@H]2C1 ZINC001008049608 1336758102 /nfs/dbraw/zinc/75/81/02/1336758102.db2.gz VGHNBZFDRXIQDF-HDAAZOAOSA-N 1 2 337.467 3.075 20 30 EGEDLO CC1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)CCCC1 ZINC001008104649 1336770465 /nfs/dbraw/zinc/77/04/65/1336770465.db2.gz SNMVEQCORSYTFU-QGZVFWFLSA-N 1 2 343.446 3.358 20 30 EGEDLO CC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)CCCC1 ZINC001008104649 1336770468 /nfs/dbraw/zinc/77/04/68/1336770468.db2.gz SNMVEQCORSYTFU-QGZVFWFLSA-N 1 2 343.446 3.358 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001008247252 1336803265 /nfs/dbraw/zinc/80/32/65/1336803265.db2.gz BDGSCZUUJWVWOI-ZWKOTPCHSA-N 1 2 325.456 3.075 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001008247252 1336803267 /nfs/dbraw/zinc/80/32/67/1336803267.db2.gz BDGSCZUUJWVWOI-ZWKOTPCHSA-N 1 2 325.456 3.075 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+]([C@H](C)c3ncc(C)o3)C2)CC1 ZINC001008412786 1336845036 /nfs/dbraw/zinc/84/50/36/1336845036.db2.gz TVRUJNKNDNIXHH-NVXWUHKLSA-N 1 2 331.460 3.371 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)c3ncc(C)o3)C2)CC1 ZINC001008412786 1336845038 /nfs/dbraw/zinc/84/50/38/1336845038.db2.gz TVRUJNKNDNIXHH-NVXWUHKLSA-N 1 2 331.460 3.371 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](Cc3nc(C)cs3)C2)CC1 ZINC001008413876 1336845681 /nfs/dbraw/zinc/84/56/81/1336845681.db2.gz WGDDKNDEBQFRPB-MRXNPFEDSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](Cc3nc(C)cs3)C2)CC1 ZINC001008413876 1336845686 /nfs/dbraw/zinc/84/56/86/1336845686.db2.gz WGDDKNDEBQFRPB-MRXNPFEDSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)C1 ZINC001008465195 1336863210 /nfs/dbraw/zinc/86/32/10/1336863210.db2.gz PUIMQPSUQUWUSU-QGZVFWFLSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)C1 ZINC001008465195 1336863211 /nfs/dbraw/zinc/86/32/11/1336863211.db2.gz PUIMQPSUQUWUSU-QGZVFWFLSA-N 1 2 341.430 3.134 20 30 EGEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[C@H]1CC12CC2 ZINC001008678005 1336909236 /nfs/dbraw/zinc/90/92/36/1336909236.db2.gz RISMPQKUJYPZOE-ZWKOTPCHSA-N 1 2 342.870 3.072 20 30 EGEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[C@H]1CC12CC2 ZINC001008678005 1336909240 /nfs/dbraw/zinc/90/92/40/1336909240.db2.gz RISMPQKUJYPZOE-ZWKOTPCHSA-N 1 2 342.870 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cc(F)cc3cccnc32)C1 ZINC001008746789 1336919303 /nfs/dbraw/zinc/91/93/03/1336919303.db2.gz HWPNXKCMYJNUFA-OAHLLOKOSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(F)cc3cccnc32)C1 ZINC001008746789 1336919305 /nfs/dbraw/zinc/91/93/05/1336919305.db2.gz HWPNXKCMYJNUFA-OAHLLOKOSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2coc3ccccc23)C1 ZINC001008989558 1336954106 /nfs/dbraw/zinc/95/41/06/1336954106.db2.gz SZUDDBNDOXOLGQ-HNNXBMFYSA-N 1 2 332.831 3.308 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2coc3ccccc23)C1 ZINC001008989558 1336954108 /nfs/dbraw/zinc/95/41/08/1336954108.db2.gz SZUDDBNDOXOLGQ-HNNXBMFYSA-N 1 2 332.831 3.308 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cc(C)nc3ccccc32)C1 ZINC001009427413 1337022356 /nfs/dbraw/zinc/02/23/56/1337022356.db2.gz VBXDVQAQXOOVKJ-HNNXBMFYSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cc(C)nc3ccccc32)C1 ZINC001009427413 1337022359 /nfs/dbraw/zinc/02/23/59/1337022359.db2.gz VBXDVQAQXOOVKJ-HNNXBMFYSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(OCC3CC3)cc2)C1 ZINC001009580535 1337041147 /nfs/dbraw/zinc/04/11/47/1337041147.db2.gz SEQCFJKCNWUHMI-KRWDZBQOSA-N 1 2 348.874 3.422 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc(OCC3CC3)cc2)C1 ZINC001009580535 1337041149 /nfs/dbraw/zinc/04/11/49/1337041149.db2.gz SEQCFJKCNWUHMI-KRWDZBQOSA-N 1 2 348.874 3.422 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2(c3ccccc3C)CC2)C1 ZINC001009726511 1337066406 /nfs/dbraw/zinc/06/64/06/1337066406.db2.gz UTUPBGOGHWVWDH-INIZCTEOSA-N 1 2 332.875 3.360 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2(c3ccccc3C)CC2)C1 ZINC001009726511 1337066410 /nfs/dbraw/zinc/06/64/10/1337066410.db2.gz UTUPBGOGHWVWDH-INIZCTEOSA-N 1 2 332.875 3.360 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)s1 ZINC001009959492 1337123260 /nfs/dbraw/zinc/12/32/60/1337123260.db2.gz OLRBAYUJIYXPNB-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)s1 ZINC001009959492 1337123261 /nfs/dbraw/zinc/12/32/61/1337123261.db2.gz OLRBAYUJIYXPNB-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1ccoc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001010195110 1337157248 /nfs/dbraw/zinc/15/72/48/1337157248.db2.gz NZCCGCQWGPTWCJ-QGZVFWFLSA-N 1 2 342.826 3.097 20 30 EGEDLO Cc1ccoc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001010195110 1337157249 /nfs/dbraw/zinc/15/72/49/1337157249.db2.gz NZCCGCQWGPTWCJ-QGZVFWFLSA-N 1 2 342.826 3.097 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(F)=C3CCCC3)C2)s1 ZINC001010567055 1337223850 /nfs/dbraw/zinc/22/38/50/1337223850.db2.gz LYPAXWOZZJHRIX-CYBMUJFWSA-N 1 2 333.432 3.108 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(F)=C3CCCC3)C2)s1 ZINC001010567055 1337223852 /nfs/dbraw/zinc/22/38/52/1337223852.db2.gz LYPAXWOZZJHRIX-CYBMUJFWSA-N 1 2 333.432 3.108 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2[C@H](CCN2c2nc(C)[nH+]c(C)c2C)C1 ZINC001064031787 1352135667 /nfs/dbraw/zinc/13/56/67/1352135667.db2.gz VEIYYDNDXJEVCO-IAGOWNOFSA-N 1 2 342.487 3.041 20 30 EGEDLO C[C@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CC=CCC1 ZINC001014550946 1337820803 /nfs/dbraw/zinc/82/08/03/1337820803.db2.gz PIQIEGSPVGNVSW-PXNSSMCTSA-N 1 2 341.430 3.134 20 30 EGEDLO C[C@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CC=CCC1 ZINC001014550946 1337820804 /nfs/dbraw/zinc/82/08/04/1337820804.db2.gz PIQIEGSPVGNVSW-PXNSSMCTSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3cccc3)c2)C1 ZINC001015140175 1338029592 /nfs/dbraw/zinc/02/95/92/1338029592.db2.gz QKAVXUGSCHMGBT-MRXNPFEDSA-N 1 2 329.831 3.034 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3cccc3)c2)C1 ZINC001015140175 1338029595 /nfs/dbraw/zinc/02/95/95/1338029595.db2.gz QKAVXUGSCHMGBT-MRXNPFEDSA-N 1 2 329.831 3.034 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC001015194185 1338047943 /nfs/dbraw/zinc/04/79/43/1338047943.db2.gz MAFCOANVVKWKOP-INIZCTEOSA-N 1 2 340.854 3.495 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC001015194185 1338047949 /nfs/dbraw/zinc/04/79/49/1338047949.db2.gz MAFCOANVVKWKOP-INIZCTEOSA-N 1 2 340.854 3.495 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001015359810 1338111294 /nfs/dbraw/zinc/11/12/94/1338111294.db2.gz GMKBFFWESPFBCU-AXVVYFOYSA-N 1 2 337.467 3.075 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001015359810 1338111297 /nfs/dbraw/zinc/11/12/97/1338111297.db2.gz GMKBFFWESPFBCU-AXVVYFOYSA-N 1 2 337.467 3.075 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001015394100 1338122724 /nfs/dbraw/zinc/12/27/24/1338122724.db2.gz WXGQEMDAEVZLAO-DLBZAZTESA-N 1 2 347.409 3.074 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001015394100 1338122727 /nfs/dbraw/zinc/12/27/27/1338122727.db2.gz WXGQEMDAEVZLAO-DLBZAZTESA-N 1 2 347.409 3.074 20 30 EGEDLO CC1(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)CC=CC1 ZINC001015652727 1338233218 /nfs/dbraw/zinc/23/32/18/1338233218.db2.gz CKRAHSVFRCRGEE-SFHVURJKSA-N 1 2 342.870 3.238 20 30 EGEDLO CC1(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)CC=CC1 ZINC001015652727 1338233224 /nfs/dbraw/zinc/23/32/24/1338233224.db2.gz CKRAHSVFRCRGEE-SFHVURJKSA-N 1 2 342.870 3.238 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(Cl)nc3)C2)CC1 ZINC001015659469 1338238104 /nfs/dbraw/zinc/23/81/04/1338238104.db2.gz BHDVEURANKCBKJ-MRXNPFEDSA-N 1 2 333.863 3.172 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(Cl)nc3)C2)CC1 ZINC001015659469 1338238109 /nfs/dbraw/zinc/23/81/09/1338238109.db2.gz BHDVEURANKCBKJ-MRXNPFEDSA-N 1 2 333.863 3.172 20 30 EGEDLO CC1(C)CC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001015671307 1338248172 /nfs/dbraw/zinc/24/81/72/1338248172.db2.gz VTCNTNVUZVKALF-WBVHZDCISA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001015671307 1338248176 /nfs/dbraw/zinc/24/81/76/1338248176.db2.gz VTCNTNVUZVKALF-WBVHZDCISA-N 1 2 343.446 3.214 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC001015758550 1338294359 /nfs/dbraw/zinc/29/43/59/1338294359.db2.gz SLVNIBAEPRGIKR-QGZVFWFLSA-N 1 2 347.409 3.074 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC001015758550 1338294362 /nfs/dbraw/zinc/29/43/62/1338294362.db2.gz SLVNIBAEPRGIKR-QGZVFWFLSA-N 1 2 347.409 3.074 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@]2(C)CCCc3ccccc32)C1 ZINC001015854459 1338335267 /nfs/dbraw/zinc/33/52/67/1338335267.db2.gz FBVAUHFNANUHIE-QFBILLFUSA-N 1 2 332.875 3.224 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCCc3ccccc32)C1 ZINC001015854459 1338335269 /nfs/dbraw/zinc/33/52/69/1338335269.db2.gz FBVAUHFNANUHIE-QFBILLFUSA-N 1 2 332.875 3.224 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCCc3ccccc32)C1 ZINC001016058988 1338435272 /nfs/dbraw/zinc/43/52/72/1338435272.db2.gz SEXMAGVLQLRVTN-IAGOWNOFSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCCc3ccccc32)C1 ZINC001016058988 1338435275 /nfs/dbraw/zinc/43/52/75/1338435275.db2.gz SEXMAGVLQLRVTN-IAGOWNOFSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3[nH]c(C)c(C)c3c2)C1 ZINC001016225548 1338516316 /nfs/dbraw/zinc/51/63/16/1338516316.db2.gz JXZMNMGCEJDVMJ-HNNXBMFYSA-N 1 2 331.847 3.341 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3[nH]c(C)c(C)c3c2)C1 ZINC001016225548 1338516317 /nfs/dbraw/zinc/51/63/17/1338516317.db2.gz JXZMNMGCEJDVMJ-HNNXBMFYSA-N 1 2 331.847 3.341 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3c2cccc3CC)C1 ZINC001016341872 1338556993 /nfs/dbraw/zinc/55/69/93/1338556993.db2.gz ULKUDCUZXRREPU-CQSZACIVSA-N 1 2 331.847 3.287 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c3c2cccc3CC)C1 ZINC001016341872 1338556995 /nfs/dbraw/zinc/55/69/95/1338556995.db2.gz ULKUDCUZXRREPU-CQSZACIVSA-N 1 2 331.847 3.287 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001016357206 1338563239 /nfs/dbraw/zinc/56/32/39/1338563239.db2.gz PAYUWCHIMPOJQM-NRFANRHFSA-N 1 2 345.446 3.440 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001016357206 1338563242 /nfs/dbraw/zinc/56/32/42/1338563242.db2.gz PAYUWCHIMPOJQM-NRFANRHFSA-N 1 2 345.446 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@]2(C)CCc3ccccc3C2)C1 ZINC001016449007 1338605670 /nfs/dbraw/zinc/60/56/70/1338605670.db2.gz YDFYMNRUQDLVDN-IEBWSBKVSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)CCc3ccccc3C2)C1 ZINC001016449007 1338605675 /nfs/dbraw/zinc/60/56/75/1338605675.db2.gz YDFYMNRUQDLVDN-IEBWSBKVSA-N 1 2 332.875 3.125 20 30 EGEDLO Cc1cc(Cl)ccc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001017541205 1339364534 /nfs/dbraw/zinc/36/45/34/1339364534.db2.gz UFNQVUYDZKXXIK-KDURUIRLSA-N 1 2 342.870 3.237 20 30 EGEDLO Cc1cc(Cl)ccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001017541205 1339364538 /nfs/dbraw/zinc/36/45/38/1339364538.db2.gz UFNQVUYDZKXXIK-KDURUIRLSA-N 1 2 342.870 3.237 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001017725333 1339403545 /nfs/dbraw/zinc/40/35/45/1339403545.db2.gz AFMTXRPLIBKJJF-PLACYPQZSA-N 1 2 336.479 3.269 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001017725333 1339403547 /nfs/dbraw/zinc/40/35/47/1339403547.db2.gz AFMTXRPLIBKJJF-PLACYPQZSA-N 1 2 336.479 3.269 20 30 EGEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sc(CC2CC2)nc1C ZINC001018099300 1339501457 /nfs/dbraw/zinc/50/14/57/1339501457.db2.gz JKSSWUVIBVPHJR-IYBDPMFKSA-N 1 2 345.512 3.269 20 30 EGEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sc(CC2CC2)nc1C ZINC001018099300 1339501459 /nfs/dbraw/zinc/50/14/59/1339501459.db2.gz JKSSWUVIBVPHJR-IYBDPMFKSA-N 1 2 345.512 3.269 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C(F)(F)F)c1 ZINC001018209580 1339534103 /nfs/dbraw/zinc/53/41/03/1339534103.db2.gz WSNRYAQSRKCIDV-IYBDPMFKSA-N 1 2 336.357 3.018 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C(F)(F)F)c1 ZINC001018209580 1339534108 /nfs/dbraw/zinc/53/41/08/1339534108.db2.gz WSNRYAQSRKCIDV-IYBDPMFKSA-N 1 2 336.357 3.018 20 30 EGEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C(C)(C)C)s1 ZINC001018308766 1339570862 /nfs/dbraw/zinc/57/08/62/1339570862.db2.gz CICUBNOCYJFQIC-OKILXGFUSA-N 1 2 333.501 3.306 20 30 EGEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C(C)(C)C)s1 ZINC001018308766 1339570865 /nfs/dbraw/zinc/57/08/65/1339570865.db2.gz CICUBNOCYJFQIC-OKILXGFUSA-N 1 2 333.501 3.306 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1c(F)ccc(C)c1F ZINC001028115924 1340437652 /nfs/dbraw/zinc/43/76/52/1340437652.db2.gz XVCDQEGANFYPMS-GFCCVEGCSA-N 1 2 328.790 3.220 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c(F)ccc(C)c1F ZINC001028115924 1340437653 /nfs/dbraw/zinc/43/76/53/1340437653.db2.gz XVCDQEGANFYPMS-GFCCVEGCSA-N 1 2 328.790 3.220 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001028117551 1340438131 /nfs/dbraw/zinc/43/81/31/1340438131.db2.gz QSZNTAPOSQFXIB-KRWDZBQOSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001028117551 1340438132 /nfs/dbraw/zinc/43/81/32/1340438132.db2.gz QSZNTAPOSQFXIB-KRWDZBQOSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(F)c2ncccc2c1 ZINC001028203729 1340481811 /nfs/dbraw/zinc/48/18/11/1340481811.db2.gz ARYCNLMBMNKEHP-HNNXBMFYSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(F)c2ncccc2c1 ZINC001028203729 1340481812 /nfs/dbraw/zinc/48/18/12/1340481812.db2.gz ARYCNLMBMNKEHP-HNNXBMFYSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc(C(F)(F)F)n1 ZINC001028218143 1340489246 /nfs/dbraw/zinc/48/92/46/1340489246.db2.gz BQTSCJYCCGMXDO-NSHDSACASA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(C(F)(F)F)n1 ZINC001028218143 1340489249 /nfs/dbraw/zinc/48/92/49/1340489249.db2.gz BQTSCJYCCGMXDO-NSHDSACASA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnoc1-c1ccccc1 ZINC001028237370 1340499055 /nfs/dbraw/zinc/49/90/55/1340499055.db2.gz SFTWPUZLZKXKMD-OAHLLOKOSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnoc1-c1ccccc1 ZINC001028237370 1340499058 /nfs/dbraw/zinc/49/90/58/1340499058.db2.gz SFTWPUZLZKXKMD-OAHLLOKOSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(N(C)CC)cc1 ZINC001028347885 1340587169 /nfs/dbraw/zinc/58/71/69/1340587169.db2.gz FMTADDOROANQNI-KRWDZBQOSA-N 1 2 335.879 3.089 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N(C)CC)cc1 ZINC001028347885 1340587173 /nfs/dbraw/zinc/58/71/73/1340587173.db2.gz FMTADDOROANQNI-KRWDZBQOSA-N 1 2 335.879 3.089 20 30 EGEDLO CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029213968 1340956124 /nfs/dbraw/zinc/95/61/24/1340956124.db2.gz ZTFSZRPDZIBOQM-OKILXGFUSA-N 1 2 331.485 3.231 20 30 EGEDLO CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029213968 1340956125 /nfs/dbraw/zinc/95/61/25/1340956125.db2.gz ZTFSZRPDZIBOQM-OKILXGFUSA-N 1 2 331.485 3.231 20 30 EGEDLO CCC(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(F)cc1 ZINC001029215837 1340956709 /nfs/dbraw/zinc/95/67/09/1340956709.db2.gz YWMUGXFLSMOKNW-BGYRXZFFSA-N 1 2 342.458 3.289 20 30 EGEDLO CCC(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001029215837 1340956712 /nfs/dbraw/zinc/95/67/12/1340956712.db2.gz YWMUGXFLSMOKNW-BGYRXZFFSA-N 1 2 342.458 3.289 20 30 EGEDLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccc(Cl)cc2)CC1 ZINC001029318012 1340970690 /nfs/dbraw/zinc/97/06/90/1340970690.db2.gz YAGKZJGFIZLOTE-HDICACEKSA-N 1 2 342.870 3.167 20 30 EGEDLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccc(Cl)cc2)CC1 ZINC001029318012 1340970691 /nfs/dbraw/zinc/97/06/91/1340970691.db2.gz YAGKZJGFIZLOTE-HDICACEKSA-N 1 2 342.870 3.167 20 30 EGEDLO O=C([C@@H]1CC[C@@H]2C[C@@H]2C1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029370279 1340979002 /nfs/dbraw/zinc/97/90/02/1340979002.db2.gz XXAVRXAJTIEVAQ-LMYCIYFBSA-N 1 2 348.490 3.150 20 30 EGEDLO O=C([C@@H]1CC[C@@H]2C[C@@H]2C1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029370279 1340979005 /nfs/dbraw/zinc/97/90/05/1340979005.db2.gz XXAVRXAJTIEVAQ-LMYCIYFBSA-N 1 2 348.490 3.150 20 30 EGEDLO CC(C)C1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C#N)s2)CC1 ZINC001029464635 1340996605 /nfs/dbraw/zinc/99/66/05/1340996605.db2.gz GTFRCUHDYGWJSE-GASCZTMLSA-N 1 2 343.496 3.231 20 30 EGEDLO CC(C)C1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)s2)CC1 ZINC001029464635 1340996606 /nfs/dbraw/zinc/99/66/06/1340996606.db2.gz GTFRCUHDYGWJSE-GASCZTMLSA-N 1 2 343.496 3.231 20 30 EGEDLO CC(C)[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001029499213 1341001264 /nfs/dbraw/zinc/00/12/64/1341001264.db2.gz DDUMFOLSYKGQPT-JCGIZDLHSA-N 1 2 343.446 3.165 20 30 EGEDLO CC(C)[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001029499213 1341001266 /nfs/dbraw/zinc/00/12/66/1341001266.db2.gz DDUMFOLSYKGQPT-JCGIZDLHSA-N 1 2 343.446 3.165 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC(C[N@H+](C)[C@H](C)c2noc(C)n2)CC1 ZINC001029990368 1341148189 /nfs/dbraw/zinc/14/81/89/1341148189.db2.gz KFLAFQVZFJYYBT-KUHUBIRLSA-N 1 2 348.491 3.212 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC(C[N@@H+](C)[C@H](C)c2noc(C)n2)CC1 ZINC001029990368 1341148191 /nfs/dbraw/zinc/14/81/91/1341148191.db2.gz KFLAFQVZFJYYBT-KUHUBIRLSA-N 1 2 348.491 3.212 20 30 EGEDLO C=CCOc1ccccc1C(=O)NC1C[NH+](Cc2ccc(C)cc2)C1 ZINC001030541591 1341196210 /nfs/dbraw/zinc/19/62/10/1341196210.db2.gz SZXUKTQQDMVMEC-UHFFFAOYSA-N 1 2 336.435 3.174 20 30 EGEDLO C[C@H]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031942185 1341428110 /nfs/dbraw/zinc/42/81/10/1341428110.db2.gz XSTBXADPUWEWDO-KBXCAEBGSA-N 1 2 343.446 3.072 20 30 EGEDLO C=Cc1ccc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)cc1 ZINC001031999095 1341437237 /nfs/dbraw/zinc/43/72/37/1341437237.db2.gz IBBLGZXXXVOWON-UHFFFAOYSA-N 1 2 331.419 3.063 20 30 EGEDLO CC[C@]1(C)C[C@@H]1C(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001032092738 1341453919 /nfs/dbraw/zinc/45/39/19/1341453919.db2.gz ZLEKRBATHYKTNY-UYAOXDASSA-N 1 2 344.886 3.176 20 30 EGEDLO CCc1ccsc1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001032204446 1341472870 /nfs/dbraw/zinc/47/28/70/1341472870.db2.gz VGVRAWPTWPOFEH-UHFFFAOYSA-N 1 2 345.493 3.105 20 30 EGEDLO C[C@H]1CC(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)C[C@H](C)C1 ZINC001032211000 1341473531 /nfs/dbraw/zinc/47/35/31/1341473531.db2.gz WRAZOXZETNKYDR-HZPDHXFCSA-N 1 2 339.483 3.179 20 30 EGEDLO C[C@@H]1CC(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)C[C@@H](C)C1 ZINC001032210999 1341473745 /nfs/dbraw/zinc/47/37/45/1341473745.db2.gz WRAZOXZETNKYDR-HOTGVXAUSA-N 1 2 339.483 3.179 20 30 EGEDLO CC(C)c1ccoc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032585391 1341549898 /nfs/dbraw/zinc/54/98/98/1341549898.db2.gz GRUHEIAGVHUSLY-ROUUACIJSA-N 1 2 349.434 3.374 20 30 EGEDLO CC(C)c1ccoc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032585391 1341549900 /nfs/dbraw/zinc/54/99/00/1341549900.db2.gz GRUHEIAGVHUSLY-ROUUACIJSA-N 1 2 349.434 3.374 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1c(F)cccc1F ZINC001032606433 1341556602 /nfs/dbraw/zinc/55/66/02/1341556602.db2.gz UDICERQSDLUFNW-AUSJPIAWSA-N 1 2 348.437 3.395 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1c(F)cccc1F ZINC001032606433 1341556604 /nfs/dbraw/zinc/55/66/04/1341556604.db2.gz UDICERQSDLUFNW-AUSJPIAWSA-N 1 2 348.437 3.395 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(CF)cc2)c1 ZINC001032808302 1341620951 /nfs/dbraw/zinc/62/09/51/1341620951.db2.gz RQSCPXKJJVSHCH-PMACEKPBSA-N 1 2 349.409 3.127 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(CF)cc2)c1 ZINC001032808302 1341620952 /nfs/dbraw/zinc/62/09/52/1341620952.db2.gz RQSCPXKJJVSHCH-PMACEKPBSA-N 1 2 349.409 3.127 20 30 EGEDLO CN(C(=O)c1cccs1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032875369 1341645858 /nfs/dbraw/zinc/64/58/58/1341645858.db2.gz DIRBLRXLOWOTLI-HNNXBMFYSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C(=O)c1cccs1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032875369 1341645860 /nfs/dbraw/zinc/64/58/60/1341645860.db2.gz DIRBLRXLOWOTLI-HNNXBMFYSA-N 1 2 343.427 3.105 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)C(C)(C)CO3)C1 ZINC001033254484 1341759720 /nfs/dbraw/zinc/75/97/20/1341759720.db2.gz DCGZBVLPGZPYQI-OAHLLOKOSA-N 1 2 348.874 3.255 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)C(C)(C)CO3)C1 ZINC001033254484 1341759721 /nfs/dbraw/zinc/75/97/21/1341759721.db2.gz DCGZBVLPGZPYQI-OAHLLOKOSA-N 1 2 348.874 3.255 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2([C@H]3CCCCO3)CCC2)C1 ZINC001033259276 1341761336 /nfs/dbraw/zinc/76/13/36/1341761336.db2.gz KPWXNSXEXYGHIM-HZPDHXFCSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2([C@H]3CCCCO3)CCC2)C1 ZINC001033259276 1341761337 /nfs/dbraw/zinc/76/13/37/1341761337.db2.gz KPWXNSXEXYGHIM-HZPDHXFCSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnc3ccccc3c2C)C1 ZINC001033274187 1341765838 /nfs/dbraw/zinc/76/58/38/1341765838.db2.gz DHSHEVWDNIDPCZ-OAHLLOKOSA-N 1 2 343.858 3.442 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc3ccccc3c2C)C1 ZINC001033274187 1341765839 /nfs/dbraw/zinc/76/58/39/1341765839.db2.gz DHSHEVWDNIDPCZ-OAHLLOKOSA-N 1 2 343.858 3.442 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C2(C3CC3)CCC2)C1 ZINC001033305023 1341774266 /nfs/dbraw/zinc/77/42/66/1341774266.db2.gz TURYSHUSDFQTRT-CQSZACIVSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(C3CC3)CCC2)C1 ZINC001033305023 1341774269 /nfs/dbraw/zinc/77/42/69/1341774269.db2.gz TURYSHUSDFQTRT-CQSZACIVSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001033316979 1341779169 /nfs/dbraw/zinc/77/91/69/1341779169.db2.gz BYDKJRHYFZUTRZ-OAHLLOKOSA-N 1 2 331.847 3.375 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001033316979 1341779170 /nfs/dbraw/zinc/77/91/70/1341779170.db2.gz BYDKJRHYFZUTRZ-OAHLLOKOSA-N 1 2 331.847 3.375 20 30 EGEDLO CCc1ccoc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033400566 1341814365 /nfs/dbraw/zinc/81/43/65/1341814365.db2.gz NVDMTVRXFLXUIF-GOSISDBHSA-N 1 2 337.423 3.060 20 30 EGEDLO CCc1ccoc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033400566 1341814367 /nfs/dbraw/zinc/81/43/67/1341814367.db2.gz NVDMTVRXFLXUIF-GOSISDBHSA-N 1 2 337.423 3.060 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(F)c2Cl)C1 ZINC001033451572 1341830176 /nfs/dbraw/zinc/83/01/76/1341830176.db2.gz YMNZRPRCZNYBAY-LLVKDONJSA-N 1 2 331.218 3.378 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(F)c2Cl)C1 ZINC001033451572 1341830179 /nfs/dbraw/zinc/83/01/79/1341830179.db2.gz YMNZRPRCZNYBAY-LLVKDONJSA-N 1 2 331.218 3.378 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2csc(C(C)(C)C)n2)C1 ZINC001033503393 1341850040 /nfs/dbraw/zinc/85/00/40/1341850040.db2.gz JGSMOABQXZSKDR-LBPRGKRZSA-N 1 2 341.908 3.339 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2csc(C(C)(C)C)n2)C1 ZINC001033503393 1341850041 /nfs/dbraw/zinc/85/00/41/1341850041.db2.gz JGSMOABQXZSKDR-LBPRGKRZSA-N 1 2 341.908 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnoc2-c2ccccc2)C1 ZINC001033537488 1341862723 /nfs/dbraw/zinc/86/27/23/1341862723.db2.gz SBVDWXQBKNPFQN-OAHLLOKOSA-N 1 2 345.830 3.240 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnoc2-c2ccccc2)C1 ZINC001033537488 1341862725 /nfs/dbraw/zinc/86/27/25/1341862725.db2.gz SBVDWXQBKNPFQN-OAHLLOKOSA-N 1 2 345.830 3.240 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001033628799 1341910146 /nfs/dbraw/zinc/91/01/46/1341910146.db2.gz LZSXVDLAYCTPNH-ZBFHGGJFSA-N 1 2 339.266 3.265 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001033628799 1341910147 /nfs/dbraw/zinc/91/01/47/1341910147.db2.gz LZSXVDLAYCTPNH-ZBFHGGJFSA-N 1 2 339.266 3.265 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001033696137 1341961428 /nfs/dbraw/zinc/96/14/28/1341961428.db2.gz QRHGWNUJAYKSAG-IXDOHACOSA-N 1 2 336.838 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001033696137 1341961436 /nfs/dbraw/zinc/96/14/36/1341961436.db2.gz QRHGWNUJAYKSAG-IXDOHACOSA-N 1 2 336.838 3.214 20 30 EGEDLO CCN(C(=O)c1cccs1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033739105 1341988498 /nfs/dbraw/zinc/98/84/98/1341988498.db2.gz APDKQFVIOGBZMB-QGZVFWFLSA-N 1 2 339.464 3.356 20 30 EGEDLO CCN(C(=O)c1cccs1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033739105 1341988499 /nfs/dbraw/zinc/98/84/99/1341988499.db2.gz APDKQFVIOGBZMB-QGZVFWFLSA-N 1 2 339.464 3.356 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccsc2COC)C1 ZINC001033875179 1342053744 /nfs/dbraw/zinc/05/37/44/1342053744.db2.gz POIURTIDDLIFTA-ZDUSSCGKSA-N 1 2 342.892 3.183 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccsc2COC)C1 ZINC001033875179 1342053746 /nfs/dbraw/zinc/05/37/46/1342053746.db2.gz POIURTIDDLIFTA-ZDUSSCGKSA-N 1 2 342.892 3.183 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc3c2O[C@H](C)C3)C1 ZINC001033901389 1342073496 /nfs/dbraw/zinc/07/34/96/1342073496.db2.gz BMBWZHPAWXWSMK-GDBMZVCRSA-N 1 2 348.874 3.299 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc3c2O[C@H](C)C3)C1 ZINC001033901389 1342073502 /nfs/dbraw/zinc/07/35/02/1342073502.db2.gz BMBWZHPAWXWSMK-GDBMZVCRSA-N 1 2 348.874 3.299 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc(F)c(F)cc2F)C1 ZINC001033942431 1342103792 /nfs/dbraw/zinc/10/37/92/1342103792.db2.gz MPQVLYZMIGJGAV-NSHDSACASA-N 1 2 346.780 3.393 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(F)c(F)cc2F)C1 ZINC001033942431 1342103793 /nfs/dbraw/zinc/10/37/93/1342103793.db2.gz MPQVLYZMIGJGAV-NSHDSACASA-N 1 2 346.780 3.393 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cn(C(C)C)nc2C)C1 ZINC001034013560 1342151004 /nfs/dbraw/zinc/15/10/04/1342151004.db2.gz DPWFOWVXTRBWRR-HNNXBMFYSA-N 1 2 338.883 3.061 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cn(C(C)C)nc2C)C1 ZINC001034013560 1342151006 /nfs/dbraw/zinc/15/10/06/1342151006.db2.gz DPWFOWVXTRBWRR-HNNXBMFYSA-N 1 2 338.883 3.061 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2c(C)noc2CCC)C1 ZINC001034199414 1342310363 /nfs/dbraw/zinc/31/03/63/1342310363.db2.gz IPUWMEXVQIGDJJ-CQSZACIVSA-N 1 2 339.867 3.272 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2c(C)noc2CCC)C1 ZINC001034199414 1342310364 /nfs/dbraw/zinc/31/03/64/1342310364.db2.gz IPUWMEXVQIGDJJ-CQSZACIVSA-N 1 2 339.867 3.272 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@@H+](Cc3nccn3CC)C2)CC1 ZINC001034376903 1342446455 /nfs/dbraw/zinc/44/64/55/1342446455.db2.gz IIJVYMSTIPVYFV-GOSISDBHSA-N 1 2 344.503 3.120 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@H+](Cc3nccn3CC)C2)CC1 ZINC001034376903 1342446458 /nfs/dbraw/zinc/44/64/58/1342446458.db2.gz IIJVYMSTIPVYFV-GOSISDBHSA-N 1 2 344.503 3.120 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC001034421545 1342483563 /nfs/dbraw/zinc/48/35/63/1342483563.db2.gz DDQYAFBVNCEPNE-ZIAGYGMSSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC001034421545 1342483564 /nfs/dbraw/zinc/48/35/64/1342483564.db2.gz DDQYAFBVNCEPNE-ZIAGYGMSSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(Cl)cn2CC)C1 ZINC001034537154 1342593955 /nfs/dbraw/zinc/59/39/55/1342593955.db2.gz GFEITGDNASFZHV-CQSZACIVSA-N 1 2 344.286 3.498 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(Cl)cn2CC)C1 ZINC001034537154 1342593957 /nfs/dbraw/zinc/59/39/57/1342593957.db2.gz GFEITGDNASFZHV-CQSZACIVSA-N 1 2 344.286 3.498 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc3c(s2)CCCCC3)C1 ZINC001035598026 1343098230 /nfs/dbraw/zinc/09/82/30/1343098230.db2.gz QLOBSKOOYXQGKK-INIZCTEOSA-N 1 2 348.512 3.024 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc3c(s2)CCCCC3)C1 ZINC001035598026 1343098232 /nfs/dbraw/zinc/09/82/32/1343098232.db2.gz QLOBSKOOYXQGKK-INIZCTEOSA-N 1 2 348.512 3.024 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2oc3c(cccc3C)c2C)C1 ZINC001035607945 1343099797 /nfs/dbraw/zinc/09/97/97/1343099797.db2.gz BZHJYFOVRIOGLY-MRXNPFEDSA-N 1 2 342.439 3.056 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2oc3c(cccc3C)c2C)C1 ZINC001035607945 1343099800 /nfs/dbraw/zinc/09/98/00/1343099800.db2.gz BZHJYFOVRIOGLY-MRXNPFEDSA-N 1 2 342.439 3.056 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCCC1(F)F)CC2 ZINC001035757985 1343173650 /nfs/dbraw/zinc/17/36/50/1343173650.db2.gz RXHCQHVJLSOFHR-CQSZACIVSA-N 1 2 346.849 3.489 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC2(C[NH+](Cc3cccc(Cl)n3)C2)CC1 ZINC001035768466 1343180788 /nfs/dbraw/zinc/18/07/88/1343180788.db2.gz IWLKITXIQKHXDL-UHFFFAOYSA-N 1 2 347.890 3.372 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC2(C[NH+](Cc3cncc(F)c3)C2)CC1 ZINC001035782195 1343192656 /nfs/dbraw/zinc/19/26/56/1343192656.db2.gz JAIYDXQSQPGOHY-IBGZPJMESA-N 1 2 345.462 3.247 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC2(C[NH+](Cc3ncc(C)o3)C2)CC1 ZINC001035781945 1343192864 /nfs/dbraw/zinc/19/28/64/1343192864.db2.gz DIRVOFXLTXMPDE-GOSISDBHSA-N 1 2 331.460 3.010 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC2(C[NH+](Cc3nc(C)cs3)C2)CC1 ZINC001035782582 1343193521 /nfs/dbraw/zinc/19/35/21/1343193521.db2.gz OSNAGSJMLDABDG-SFHVURJKSA-N 1 2 347.528 3.478 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1sccc1OC)CC2 ZINC001035841427 1343223837 /nfs/dbraw/zinc/22/38/37/1343223837.db2.gz MOIUBWQWQVXYMI-UHFFFAOYSA-N 1 2 340.876 3.047 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccc(F)s1)CC2 ZINC001035860282 1343236523 /nfs/dbraw/zinc/23/65/23/1343236523.db2.gz YLGGQNHKCWYLHE-UHFFFAOYSA-N 1 2 328.840 3.178 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038170240 1344310648 /nfs/dbraw/zinc/31/06/48/1344310648.db2.gz ZUCYNXHTDSGGFW-SJKOYZFVSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038170240 1344310652 /nfs/dbraw/zinc/31/06/52/1344310652.db2.gz ZUCYNXHTDSGGFW-SJKOYZFVSA-N 1 2 342.830 3.105 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2[C@H](C)c2ccccc2F)cc1 ZINC001038580764 1344492077 /nfs/dbraw/zinc/49/20/77/1344492077.db2.gz CVIIMHNRKWMNGW-CRAIPNDOSA-N 1 2 336.410 3.372 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2[C@H](C)c2ccccc2F)cc1 ZINC001038580764 1344492078 /nfs/dbraw/zinc/49/20/78/1344492078.db2.gz CVIIMHNRKWMNGW-CRAIPNDOSA-N 1 2 336.410 3.372 20 30 EGEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1CCCC(F)(F)C1 ZINC001038688040 1344542971 /nfs/dbraw/zinc/54/29/71/1344542971.db2.gz KGERRDUDDGVUFD-QZTJIDSGSA-N 1 2 346.421 3.054 20 30 EGEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1CCCC(F)(F)C1 ZINC001038688040 1344542973 /nfs/dbraw/zinc/54/29/73/1344542973.db2.gz KGERRDUDDGVUFD-QZTJIDSGSA-N 1 2 346.421 3.054 20 30 EGEDLO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)c(F)c1 ZINC001038744645 1344564424 /nfs/dbraw/zinc/56/44/24/1344564424.db2.gz YKGHQABNINMFRO-KRWDZBQOSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)c(F)c1 ZINC001038744645 1344564427 /nfs/dbraw/zinc/56/44/27/1344564427.db2.gz YKGHQABNINMFRO-KRWDZBQOSA-N 1 2 337.398 3.010 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cccc(Cl)c2)c1 ZINC001038945140 1344669516 /nfs/dbraw/zinc/66/95/16/1344669516.db2.gz MDMKNTWITQHLSF-GOSISDBHSA-N 1 2 339.826 3.216 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cccc(Cl)c2)c1 ZINC001038945140 1344669517 /nfs/dbraw/zinc/66/95/17/1344669517.db2.gz MDMKNTWITQHLSF-GOSISDBHSA-N 1 2 339.826 3.216 20 30 EGEDLO CCc1ccsc1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001039048342 1344734224 /nfs/dbraw/zinc/73/42/24/1344734224.db2.gz RUBJRDKJVVWZFO-QGZVFWFLSA-N 1 2 339.464 3.186 20 30 EGEDLO CCc1ccsc1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001039048342 1344734225 /nfs/dbraw/zinc/73/42/25/1344734225.db2.gz RUBJRDKJVVWZFO-QGZVFWFLSA-N 1 2 339.464 3.186 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001039131213 1344809379 /nfs/dbraw/zinc/80/93/79/1344809379.db2.gz HDIBFVOZAIPCCQ-ZIAGYGMSSA-N 1 2 336.373 3.023 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001039131213 1344809382 /nfs/dbraw/zinc/80/93/82/1344809382.db2.gz HDIBFVOZAIPCCQ-ZIAGYGMSSA-N 1 2 336.373 3.023 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)C1 ZINC001039131213 1344809385 /nfs/dbraw/zinc/80/93/85/1344809385.db2.gz HDIBFVOZAIPCCQ-ZIAGYGMSSA-N 1 2 336.373 3.023 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)C1 ZINC001039131213 1344809387 /nfs/dbraw/zinc/80/93/87/1344809387.db2.gz HDIBFVOZAIPCCQ-ZIAGYGMSSA-N 1 2 336.373 3.023 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC(F)(F)C1 ZINC001039396861 1345045241 /nfs/dbraw/zinc/04/52/41/1345045241.db2.gz KBOPSIUDZHDHAT-KGLIPLIRSA-N 1 2 332.822 3.240 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC(F)(F)C1 ZINC001039396861 1345045244 /nfs/dbraw/zinc/04/52/44/1345045244.db2.gz KBOPSIUDZHDHAT-KGLIPLIRSA-N 1 2 332.822 3.240 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](C)[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001039889590 1345232074 /nfs/dbraw/zinc/23/20/74/1345232074.db2.gz DXAJOLQZMBGGHG-GDBMZVCRSA-N 1 2 330.476 3.284 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCC(F)(F)F)C1 ZINC001039906159 1345243072 /nfs/dbraw/zinc/24/30/72/1345243072.db2.gz HFAOTDGBSLKCFH-OKILXGFUSA-N 1 2 330.394 3.360 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCC(F)(F)F)C1 ZINC001039906159 1345243078 /nfs/dbraw/zinc/24/30/78/1345243078.db2.gz HFAOTDGBSLKCFH-OKILXGFUSA-N 1 2 330.394 3.360 20 30 EGEDLO C#Cc1ccccc1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C/C=C\Cl ZINC001039983826 1345279515 /nfs/dbraw/zinc/27/95/15/1345279515.db2.gz NWAFQJQHUVRAHX-ACOFZUGVSA-N 1 2 342.870 3.028 20 30 EGEDLO C#Cc1ccccc1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C/C=C\Cl ZINC001039983826 1345279516 /nfs/dbraw/zinc/27/95/16/1345279516.db2.gz NWAFQJQHUVRAHX-ACOFZUGVSA-N 1 2 342.870 3.028 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](C/C(Cl)=C/Cl)[C@H]2C1 ZINC001042181183 1345969358 /nfs/dbraw/zinc/96/93/58/1345969358.db2.gz DQJBIVOMVHGCDM-LOKCTGBGSA-N 1 2 331.287 3.440 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](C/C(Cl)=C/Cl)[C@H]2C1 ZINC001042181183 1345969360 /nfs/dbraw/zinc/96/93/60/1345969360.db2.gz DQJBIVOMVHGCDM-LOKCTGBGSA-N 1 2 331.287 3.440 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncc(C4CC4)o3)[C@H]2C1 ZINC001042187491 1345974471 /nfs/dbraw/zinc/97/44/71/1345974471.db2.gz MYAKSGMHEGSEMJ-ZBFHGGJFSA-N 1 2 343.471 3.187 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncc(C4CC4)o3)[C@H]2C1 ZINC001042187491 1345974473 /nfs/dbraw/zinc/97/44/73/1345974473.db2.gz MYAKSGMHEGSEMJ-ZBFHGGJFSA-N 1 2 343.471 3.187 20 30 EGEDLO CC1(NC(=O)C2=CCCC2)CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001045407569 1346586507 /nfs/dbraw/zinc/58/65/07/1346586507.db2.gz ORMNFHCYUNXXGO-UHFFFAOYSA-N 1 2 341.430 3.278 20 30 EGEDLO CC[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1C#N ZINC001045718823 1346678780 /nfs/dbraw/zinc/67/87/80/1346678780.db2.gz RDUYBMOKNHZWGT-ZMYBRWDISA-N 1 2 343.446 3.309 20 30 EGEDLO CC[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1C#N ZINC001045718823 1346678783 /nfs/dbraw/zinc/67/87/83/1346678783.db2.gz RDUYBMOKNHZWGT-ZMYBRWDISA-N 1 2 343.446 3.309 20 30 EGEDLO Cc1cc(C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3C#N)C2)oc1C ZINC001046245086 1346907447 /nfs/dbraw/zinc/90/74/47/1346907447.db2.gz SJRGJTMJTCYHGD-HXUWFJFHSA-N 1 2 337.423 3.163 20 30 EGEDLO Cc1cc(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3C#N)C2)oc1C ZINC001046245086 1346907449 /nfs/dbraw/zinc/90/74/49/1346907449.db2.gz SJRGJTMJTCYHGD-HXUWFJFHSA-N 1 2 337.423 3.163 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC001046318849 1346933873 /nfs/dbraw/zinc/93/38/73/1346933873.db2.gz GZCONULSBKPHLK-SFHVURJKSA-N 1 2 335.879 3.326 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC001046318849 1346933874 /nfs/dbraw/zinc/93/38/74/1346933874.db2.gz GZCONULSBKPHLK-SFHVURJKSA-N 1 2 335.879 3.326 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001046426944 1346973444 /nfs/dbraw/zinc/97/34/44/1346973444.db2.gz ZURSAXRKZXUTBE-MJGOQNOKSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001046426944 1346973447 /nfs/dbraw/zinc/97/34/47/1346973447.db2.gz ZURSAXRKZXUTBE-MJGOQNOKSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001046583801 1347025834 /nfs/dbraw/zinc/02/58/34/1347025834.db2.gz ULZZONHRSXGGQK-HNNXBMFYSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001046583801 1347025836 /nfs/dbraw/zinc/02/58/36/1347025836.db2.gz ULZZONHRSXGGQK-HNNXBMFYSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cccc(Cl)c2F)C1 ZINC001046590036 1347029355 /nfs/dbraw/zinc/02/93/55/1347029355.db2.gz BMHJNLJRTLAFRX-HNNXBMFYSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cccc(Cl)c2F)C1 ZINC001046590036 1347029358 /nfs/dbraw/zinc/02/93/58/1347029358.db2.gz BMHJNLJRTLAFRX-HNNXBMFYSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnc3ccc(F)cc3c2)C1 ZINC001046759244 1347087347 /nfs/dbraw/zinc/08/73/47/1347087347.db2.gz XQOBJAVHSXNIEQ-GOSISDBHSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnc3ccc(F)cc3c2)C1 ZINC001046759244 1347087350 /nfs/dbraw/zinc/08/73/50/1347087350.db2.gz XQOBJAVHSXNIEQ-GOSISDBHSA-N 1 2 347.821 3.321 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1sccc1F ZINC001079659844 1357339149 /nfs/dbraw/zinc/33/91/49/1357339149.db2.gz NQKNHGYCNQMUFQ-MLGOLLRUSA-N 1 2 343.427 3.009 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1sccc1F ZINC001079659844 1357339153 /nfs/dbraw/zinc/33/91/53/1357339153.db2.gz NQKNHGYCNQMUFQ-MLGOLLRUSA-N 1 2 343.427 3.009 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC1(C)C ZINC001049425917 1347845614 /nfs/dbraw/zinc/84/56/14/1347845614.db2.gz QMYLOJMCCCTAIC-MELADBBJSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC1(C)C ZINC001049425917 1347845616 /nfs/dbraw/zinc/84/56/16/1347845616.db2.gz QMYLOJMCCCTAIC-MELADBBJSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1nc(Cl)cs1 ZINC001049669809 1347965456 /nfs/dbraw/zinc/96/54/56/1347965456.db2.gz AOBRQHOPEVTMMM-WDEREUQCSA-N 1 2 346.283 3.228 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1nc(Cl)cs1 ZINC001049669809 1347965459 /nfs/dbraw/zinc/96/54/59/1347965459.db2.gz AOBRQHOPEVTMMM-WDEREUQCSA-N 1 2 346.283 3.228 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ocnc2-c2ccccc2)C1 ZINC001079823394 1357390721 /nfs/dbraw/zinc/39/07/21/1357390721.db2.gz IQTODWQKEJRHEP-IUODEOHRSA-N 1 2 345.830 3.144 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ocnc2-c2ccccc2)C1 ZINC001079823394 1357390728 /nfs/dbraw/zinc/39/07/28/1357390728.db2.gz IQTODWQKEJRHEP-IUODEOHRSA-N 1 2 345.830 3.144 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2COCC[N@@H+]2CC2=CCCCC2)CC1 ZINC001051098329 1348392107 /nfs/dbraw/zinc/39/21/07/1348392107.db2.gz DSOUXPGQULZHEJ-IBGZPJMESA-N 1 2 332.488 3.050 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2COCC[N@H+]2CC2=CCCCC2)CC1 ZINC001051098329 1348392110 /nfs/dbraw/zinc/39/21/10/1348392110.db2.gz DSOUXPGQULZHEJ-IBGZPJMESA-N 1 2 332.488 3.050 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(Cl)ccc1Cl ZINC001051218547 1348404146 /nfs/dbraw/zinc/40/41/46/1348404146.db2.gz FDBRESNJMIHTBK-CYBMUJFWSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(Cl)ccc1Cl ZINC001051218547 1348404149 /nfs/dbraw/zinc/40/41/49/1348404149.db2.gz FDBRESNJMIHTBK-CYBMUJFWSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC001051220882 1348404985 /nfs/dbraw/zinc/40/49/85/1348404985.db2.gz NNSQLSYQFCXFCR-ZDUSSCGKSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC001051220882 1348404987 /nfs/dbraw/zinc/40/49/87/1348404987.db2.gz NNSQLSYQFCXFCR-ZDUSSCGKSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC001051220881 1348405087 /nfs/dbraw/zinc/40/50/87/1348405087.db2.gz NNSQLSYQFCXFCR-CYBMUJFWSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC001051220881 1348405089 /nfs/dbraw/zinc/40/50/89/1348405089.db2.gz NNSQLSYQFCXFCR-CYBMUJFWSA-N 1 2 343.254 3.000 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(c3cc[nH+]c(C)n3)CC(C)(C)C2)C1 ZINC001051384717 1348450108 /nfs/dbraw/zinc/45/01/08/1348450108.db2.gz QDNJEOJXBIHOOQ-INIZCTEOSA-N 1 2 342.487 3.253 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC[C@H](C3CCC3)CC1)CCO2 ZINC001053291937 1348993514 /nfs/dbraw/zinc/99/35/14/1348993514.db2.gz NUHGCEHRHJKHDA-WGSAOQKQSA-N 1 2 346.515 3.082 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc(C(C)(C)C)s1)CCO2 ZINC001053537859 1349057326 /nfs/dbraw/zinc/05/73/26/1349057326.db2.gz NTEURFGUBBMMMN-UHFFFAOYSA-N 1 2 348.512 3.149 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(CCCC)cc1)O2 ZINC001053626041 1349080315 /nfs/dbraw/zinc/08/03/15/1349080315.db2.gz LVLQJFOSRXPUHZ-LJQANCHMSA-N 1 2 342.483 3.178 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C)c(Cl)cc1C)O2 ZINC001053634134 1349081891 /nfs/dbraw/zinc/08/18/91/1349081891.db2.gz LADQMBWKKJXZCW-HNNXBMFYSA-N 1 2 348.874 3.106 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(C(C)(C)C)cc1)O2 ZINC001053690626 1349093394 /nfs/dbraw/zinc/09/33/94/1349093394.db2.gz OUOXHSWHXYGGHR-SFHVURJKSA-N 1 2 342.483 3.133 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c(C)cc(C)cc1C)O2 ZINC001053694384 1349095608 /nfs/dbraw/zinc/09/56/08/1349095608.db2.gz NCGHCBNOCBVISR-GOSISDBHSA-N 1 2 342.483 3.151 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1sccc1C1CC1)O2 ZINC001053696688 1349096400 /nfs/dbraw/zinc/09/64/00/1349096400.db2.gz NVKKIOBBQWQTTH-HNNXBMFYSA-N 1 2 346.496 3.165 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(CC(C)C)cc1)O2 ZINC001053696843 1349096550 /nfs/dbraw/zinc/09/65/50/1349096550.db2.gz PVIRUMJIWZUBNJ-IBGZPJMESA-N 1 2 342.483 3.034 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCC(C)(C)C1)O2 ZINC001053701771 1349098923 /nfs/dbraw/zinc/09/89/23/1349098923.db2.gz FKYZQGVLXABJOR-IRXDYDNUSA-N 1 2 334.504 3.129 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccccc1C(C)(C)C)CO2 ZINC001053839628 1349115152 /nfs/dbraw/zinc/11/51/52/1349115152.db2.gz LJFZZNNZMHYDKX-INIZCTEOSA-N 1 2 342.483 3.133 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1csc3ccccc13)CO2 ZINC001053885064 1349120592 /nfs/dbraw/zinc/12/05/92/1349120592.db2.gz CWYAXGBBOHKMFV-AWEZNQCLSA-N 1 2 342.464 3.051 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C1CC(C)(C)CC(C)(C)C1)CO2 ZINC001053882434 1349121105 /nfs/dbraw/zinc/12/11/05/1349121105.db2.gz ZNXKFWISCBKVEK-QGZVFWFLSA-N 1 2 348.531 3.375 20 30 EGEDLO C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1c(F)cccc1F ZINC001054058938 1349141351 /nfs/dbraw/zinc/14/13/51/1349141351.db2.gz BHDOSPSUNTVXNE-MRXNPFEDSA-N 1 2 342.389 3.308 20 30 EGEDLO C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1c(F)cccc1F ZINC001054058938 1349141354 /nfs/dbraw/zinc/14/13/54/1349141354.db2.gz BHDOSPSUNTVXNE-MRXNPFEDSA-N 1 2 342.389 3.308 20 30 EGEDLO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1c(Cl)[nH]nc1C1CC1)C2 ZINC001054142746 1349153297 /nfs/dbraw/zinc/15/32/97/1349153297.db2.gz HRDLNBXZTLFWOJ-SFHVURJKSA-N 1 2 348.878 3.055 20 30 EGEDLO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1c(Cl)[nH]nc1C1CC1)C2 ZINC001054142746 1349153300 /nfs/dbraw/zinc/15/33/00/1349153300.db2.gz HRDLNBXZTLFWOJ-SFHVURJKSA-N 1 2 348.878 3.055 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3[C@@H](C=C(C)C)C3(C)C)cc2C1 ZINC001054273418 1349273177 /nfs/dbraw/zinc/27/31/77/1349273177.db2.gz JLESMOZZBBFMLX-UXHICEINSA-N 1 2 336.479 3.490 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3[C@@H](C=C(C)C)C3(C)C)cc2C1 ZINC001054273418 1349273181 /nfs/dbraw/zinc/27/31/81/1349273181.db2.gz JLESMOZZBBFMLX-UXHICEINSA-N 1 2 336.479 3.490 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc(C)c(CC)s3)cc2C1 ZINC001054291543 1349297210 /nfs/dbraw/zinc/29/72/10/1349297210.db2.gz UYDKGODGMMVDKI-UHFFFAOYSA-N 1 2 338.476 3.498 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc(C)c(CC)s3)cc2C1 ZINC001054291543 1349297213 /nfs/dbraw/zinc/29/72/13/1349297213.db2.gz UYDKGODGMMVDKI-UHFFFAOYSA-N 1 2 338.476 3.498 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001057013960 1349974679 /nfs/dbraw/zinc/97/46/79/1349974679.db2.gz DDVYKKVBXFDHSW-JXFKEZNVSA-N 1 2 342.487 3.302 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H](CN(C)c3cc[nH+]c(C)n3)C2)CC1 ZINC001058702986 1350289743 /nfs/dbraw/zinc/28/97/43/1350289743.db2.gz GSENCIVSDCTEIP-QGZVFWFLSA-N 1 2 342.487 3.206 20 30 EGEDLO Cc1cc(NC[C@H]2CCCCN2C(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001060247754 1350794457 /nfs/dbraw/zinc/79/44/57/1350794457.db2.gz KUTUQINCNRJTDC-QGZVFWFLSA-N 1 2 340.471 3.115 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC2(C1)CCN(c1cc[nH+]c(C)n1)CC2 ZINC001064586251 1352634041 /nfs/dbraw/zinc/63/40/41/1352634041.db2.gz SNBQIVGHXIBOCT-UHFFFAOYSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001067181344 1353330412 /nfs/dbraw/zinc/33/04/12/1353330412.db2.gz VCBZSSGBUMYIBS-HIFRSBDPSA-N 1 2 330.476 3.379 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(c3nc(C)[nH+]c(C)c3C)[C@@H](C)C2)C1 ZINC001067572505 1353442958 /nfs/dbraw/zinc/44/29/58/1353442958.db2.gz FMUJZUOKCJTMLR-SUMWQHHRSA-N 1 2 342.487 3.232 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)[C@@H](C)C2)C1 ZINC001067572504 1353443073 /nfs/dbraw/zinc/44/30/73/1353443073.db2.gz FMUJZUOKCJTMLR-GUYCJALGSA-N 1 2 342.487 3.232 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)C(C)C)C[C@H](C)O2 ZINC001071169183 1354486322 /nfs/dbraw/zinc/48/63/22/1354486322.db2.gz NKJGQWLMSIOMTA-MAUKXSAKSA-N 1 2 342.911 3.113 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)C(C)C)C[C@H](C)O2 ZINC001071169183 1354486325 /nfs/dbraw/zinc/48/63/25/1354486325.db2.gz NKJGQWLMSIOMTA-MAUKXSAKSA-N 1 2 342.911 3.113 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3ccccc3C#N)C2)o1 ZINC001071332508 1354597859 /nfs/dbraw/zinc/59/78/59/1354597859.db2.gz RWCXGDKLWLQRBJ-KSSFIOAISA-N 1 2 337.423 3.243 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3ccccc3C#N)C2)o1 ZINC001071332508 1354597862 /nfs/dbraw/zinc/59/78/62/1354597862.db2.gz RWCXGDKLWLQRBJ-KSSFIOAISA-N 1 2 337.423 3.243 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)C(C)=C2CCC2)CC[C@@H]1C ZINC001071501678 1354730605 /nfs/dbraw/zinc/73/06/05/1354730605.db2.gz SOXMQHPZBDRQFM-WFASDCNBSA-N 1 2 341.293 3.365 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)C(C)=C2CCC2)CC[C@@H]1C ZINC001071501678 1354730609 /nfs/dbraw/zinc/73/06/09/1354730609.db2.gz SOXMQHPZBDRQFM-WFASDCNBSA-N 1 2 341.293 3.365 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2[nH]cnc2C(C)(C)C)CC[C@@H]1C ZINC001071519081 1354739990 /nfs/dbraw/zinc/73/99/90/1354739990.db2.gz VEHKXUMRPRBLMX-QWHCGFSZSA-N 1 2 338.883 3.042 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2[nH]cnc2C(C)(C)C)CC[C@@H]1C ZINC001071519081 1354739993 /nfs/dbraw/zinc/73/99/93/1354739993.db2.gz VEHKXUMRPRBLMX-QWHCGFSZSA-N 1 2 338.883 3.042 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccn3c2CCCC3)CC[C@@H]1C ZINC001071573020 1354771149 /nfs/dbraw/zinc/77/11/49/1354771149.db2.gz BNBCXVRSORORGK-GJZGRUSLSA-N 1 2 335.879 3.160 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccn3c2CCCC3)CC[C@@H]1C ZINC001071573020 1354771151 /nfs/dbraw/zinc/77/11/51/1354771151.db2.gz BNBCXVRSORORGK-GJZGRUSLSA-N 1 2 335.879 3.160 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C(C)(C)c2cccnc2)CC[C@@H]1C ZINC001071630949 1354813636 /nfs/dbraw/zinc/81/36/36/1354813636.db2.gz FXNLLOZVGACXMU-HOCLYGCPSA-N 1 2 335.879 3.081 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)c2cccnc2)CC[C@@H]1C ZINC001071630949 1354813639 /nfs/dbraw/zinc/81/36/39/1354813639.db2.gz FXNLLOZVGACXMU-HOCLYGCPSA-N 1 2 335.879 3.081 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc(Cl)cn2C)CC[C@H]1C ZINC001071665212 1354837208 /nfs/dbraw/zinc/83/72/08/1354837208.db2.gz BSJZBVAXLIBCIN-DGCLKSJQSA-N 1 2 330.259 3.014 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc(Cl)cn2C)CC[C@H]1C ZINC001071665212 1354837212 /nfs/dbraw/zinc/83/72/12/1354837212.db2.gz BSJZBVAXLIBCIN-DGCLKSJQSA-N 1 2 330.259 3.014 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3coc(C)n3)C2)CC1 ZINC001071794579 1354939501 /nfs/dbraw/zinc/93/95/01/1354939501.db2.gz CZCYLHBOAZJTHD-PBHICJAKSA-N 1 2 331.460 3.199 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3coc(C)n3)C2)CC1 ZINC001071794579 1354939506 /nfs/dbraw/zinc/93/95/06/1354939506.db2.gz CZCYLHBOAZJTHD-PBHICJAKSA-N 1 2 331.460 3.199 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc(F)c(OC)c2)CC[C@@H]1C ZINC001071835423 1354969720 /nfs/dbraw/zinc/96/97/20/1354969720.db2.gz NBMKMDDBNQVVNI-GXTWGEPZSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc(F)c(OC)c2)CC[C@@H]1C ZINC001071835423 1354969725 /nfs/dbraw/zinc/96/97/25/1354969725.db2.gz NBMKMDDBNQVVNI-GXTWGEPZSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cncc(Cl)c2)CC[C@@H]1C ZINC001071890636 1355008561 /nfs/dbraw/zinc/00/85/61/1355008561.db2.gz PFHINKSPMXATHV-FZMZJTMJSA-N 1 2 328.243 3.070 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cncc(Cl)c2)CC[C@@H]1C ZINC001071890636 1355008557 /nfs/dbraw/zinc/00/85/57/1355008557.db2.gz PFHINKSPMXATHV-FZMZJTMJSA-N 1 2 328.243 3.070 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc3c([nH]2)CCCC3)CC[C@H]1C ZINC001071970157 1355050899 /nfs/dbraw/zinc/05/08/99/1355050899.db2.gz CYTKEDMUUROLMT-UKRRQHHQSA-N 1 2 335.879 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc3c([nH]2)CCCC3)CC[C@H]1C ZINC001071970157 1355050903 /nfs/dbraw/zinc/05/09/03/1355050903.db2.gz CYTKEDMUUROLMT-UKRRQHHQSA-N 1 2 335.879 3.229 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)C3CCCC3)C[C@@H]21 ZINC001074267027 1356149767 /nfs/dbraw/zinc/14/97/67/1356149767.db2.gz VVGFDCAMGWJFLF-ZWKOTPCHSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)C3CCCC3)C[C@@H]21 ZINC001074267027 1356149770 /nfs/dbraw/zinc/14/97/70/1356149770.db2.gz VVGFDCAMGWJFLF-ZWKOTPCHSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H]3OCC[N@@H+](CC=C(C)C)[C@H]3C2)CC1 ZINC001074326714 1356170569 /nfs/dbraw/zinc/17/05/69/1356170569.db2.gz JAHMGNSTCQCRMV-RBUKOAKNSA-N 1 2 332.488 3.001 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H]3OCC[N@H+](CC=C(C)C)[C@H]3C2)CC1 ZINC001074326714 1356170573 /nfs/dbraw/zinc/17/05/73/1356170573.db2.gz JAHMGNSTCQCRMV-RBUKOAKNSA-N 1 2 332.488 3.001 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(C)C)cc3)C[C@@H]21 ZINC001074392269 1356191574 /nfs/dbraw/zinc/19/15/74/1356191574.db2.gz HOGKTAYTEKDOHE-VQTJNVASSA-N 1 2 342.483 3.301 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(C)C)cc3)C[C@@H]21 ZINC001074392269 1356191575 /nfs/dbraw/zinc/19/15/75/1356191575.db2.gz HOGKTAYTEKDOHE-VQTJNVASSA-N 1 2 342.483 3.301 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3coc4cc(F)ccc43)[C@@H]2C1 ZINC001075972872 1356460032 /nfs/dbraw/zinc/46/00/32/1356460032.db2.gz NMOUMBOUVQWWRM-BLLLJJGKSA-N 1 2 348.805 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3coc4cc(F)ccc43)[C@@H]2C1 ZINC001075972872 1356460035 /nfs/dbraw/zinc/46/00/35/1356460035.db2.gz NMOUMBOUVQWWRM-BLLLJJGKSA-N 1 2 348.805 3.471 20 30 EGEDLO COC(=O)c1cc(Cl)ccc1C(=O)/C=C\c1ccc[nH+]c1N(C)C ZINC001323086184 1387285994 /nfs/dbraw/zinc/28/59/94/1387285994.db2.gz CGNYCBBRVAPXRP-TWGQIWQCSA-N 1 2 344.798 3.484 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2scnc2Cl)C1 ZINC001099163684 1363664436 /nfs/dbraw/zinc/66/44/36/1363664436.db2.gz BGTKAAHAHBMAEI-HZMBPMFUSA-N 1 2 346.283 3.133 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2scnc2Cl)C1 ZINC001099163684 1363664438 /nfs/dbraw/zinc/66/44/38/1363664438.db2.gz BGTKAAHAHBMAEI-HZMBPMFUSA-N 1 2 346.283 3.133 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c(F)cccc2Cl)C1 ZINC001080838807 1357749863 /nfs/dbraw/zinc/74/98/63/1357749863.db2.gz HZCKYKIQZZIQNB-MEBBXXQBSA-N 1 2 345.245 3.211 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c(F)cccc2Cl)C1 ZINC001080838807 1357749864 /nfs/dbraw/zinc/74/98/64/1357749864.db2.gz HZCKYKIQZZIQNB-MEBBXXQBSA-N 1 2 345.245 3.211 20 30 EGEDLO CC(C)(C)CC(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084191407 1358159554 /nfs/dbraw/zinc/15/95/54/1358159554.db2.gz KFRUYZBEBJSEIV-CRAIPNDOSA-N 1 2 343.446 3.166 20 30 EGEDLO CC(C)(C)CC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084191407 1358159557 /nfs/dbraw/zinc/15/95/57/1358159557.db2.gz KFRUYZBEBJSEIV-CRAIPNDOSA-N 1 2 343.446 3.166 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Cl)c(Cl)[nH]3)[C@@H]2C1 ZINC001084561121 1358238027 /nfs/dbraw/zinc/23/80/27/1358238027.db2.gz TXWAPQNXTNHGCW-BXKDBHETSA-N 1 2 348.661 3.220 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(Cl)c(Cl)[nH]3)[C@@H]2C1 ZINC001084561121 1358238031 /nfs/dbraw/zinc/23/80/31/1358238031.db2.gz TXWAPQNXTNHGCW-BXKDBHETSA-N 1 2 348.661 3.220 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@@H+](Cc4ncoc4C(C)C)C[C@H]32)C1 ZINC001084645911 1358268177 /nfs/dbraw/zinc/26/81/77/1358268177.db2.gz KFQHWVUINGJGPZ-NVXWUHKLSA-N 1 2 343.471 3.187 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@H+](Cc4ncoc4C(C)C)C[C@H]32)C1 ZINC001084645911 1358268180 /nfs/dbraw/zinc/26/81/80/1358268180.db2.gz KFQHWVUINGJGPZ-NVXWUHKLSA-N 1 2 343.471 3.187 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC(F)(F)C3)[C@@H]2C1 ZINC001084654896 1358270040 /nfs/dbraw/zinc/27/00/40/1358270040.db2.gz FSPWFEANABACKO-MGPQQGTHSA-N 1 2 332.822 3.097 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC(F)(F)C3)[C@@H]2C1 ZINC001084654896 1358270042 /nfs/dbraw/zinc/27/00/42/1358270042.db2.gz FSPWFEANABACKO-MGPQQGTHSA-N 1 2 332.822 3.097 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC(F)(F)C3)[C@@H]2C1 ZINC001084654895 1358270388 /nfs/dbraw/zinc/27/03/88/1358270388.db2.gz FSPWFEANABACKO-BFHYXJOUSA-N 1 2 332.822 3.097 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC(F)(F)C3)[C@@H]2C1 ZINC001084654895 1358270392 /nfs/dbraw/zinc/27/03/92/1358270392.db2.gz FSPWFEANABACKO-BFHYXJOUSA-N 1 2 332.822 3.097 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3(c4ccccc4F)CC3)[C@@H]2C1 ZINC001084753061 1358300520 /nfs/dbraw/zinc/30/05/20/1358300520.db2.gz SCSLGOZAEJBDMY-RHSMWYFYSA-N 1 2 348.849 3.143 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(c4ccccc4F)CC3)[C@@H]2C1 ZINC001084753061 1358300521 /nfs/dbraw/zinc/30/05/21/1358300521.db2.gz SCSLGOZAEJBDMY-RHSMWYFYSA-N 1 2 348.849 3.143 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(C)c(C)c3)[C@@H]2C1 ZINC001084815929 1358319557 /nfs/dbraw/zinc/31/95/57/1358319557.db2.gz FCACUJVGSKMWBT-QZTJIDSGSA-N 1 2 332.875 3.131 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(C)c(C)c3)[C@@H]2C1 ZINC001084815929 1358319558 /nfs/dbraw/zinc/31/95/58/1358319558.db2.gz FCACUJVGSKMWBT-QZTJIDSGSA-N 1 2 332.875 3.131 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Oc3cccc(C)c3)[C@@H]2C1 ZINC001084816848 1358320352 /nfs/dbraw/zinc/32/03/52/1358320352.db2.gz YTQTWVFWSSMULB-JFIYKMOQSA-N 1 2 348.874 3.048 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Oc3cccc(C)c3)[C@@H]2C1 ZINC001084816848 1358320354 /nfs/dbraw/zinc/32/03/54/1358320354.db2.gz YTQTWVFWSSMULB-JFIYKMOQSA-N 1 2 348.874 3.048 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)C1CCCCC1 ZINC001085461922 1358515808 /nfs/dbraw/zinc/51/58/08/1358515808.db2.gz RDOFJZFAHBXYQF-OAHLLOKOSA-N 1 2 331.485 3.233 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)C1CCCCC1 ZINC001085461922 1358515811 /nfs/dbraw/zinc/51/58/11/1358515811.db2.gz RDOFJZFAHBXYQF-OAHLLOKOSA-N 1 2 331.485 3.233 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)c1ccccc1 ZINC001085461842 1358516065 /nfs/dbraw/zinc/51/60/65/1358516065.db2.gz PERIATUOYYBWTE-SFHVURJKSA-N 1 2 337.398 3.044 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)c1ccccc1 ZINC001085461842 1358516067 /nfs/dbraw/zinc/51/60/67/1358516067.db2.gz PERIATUOYYBWTE-SFHVURJKSA-N 1 2 337.398 3.044 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1)C(=O)c1ccoc1Cl ZINC001085568978 1358602340 /nfs/dbraw/zinc/60/23/40/1358602340.db2.gz XGTXRGUEIVBSCP-HNNXBMFYSA-N 1 2 343.814 3.151 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1)C(=O)c1ccoc1Cl ZINC001085568978 1358602342 /nfs/dbraw/zinc/60/23/42/1358602342.db2.gz XGTXRGUEIVBSCP-HNNXBMFYSA-N 1 2 343.814 3.151 20 30 EGEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2cc(Cl)ccc2o1 ZINC001085705425 1358697194 /nfs/dbraw/zinc/69/71/94/1358697194.db2.gz PTIYGWOXTQUDKL-OAHLLOKOSA-N 1 2 330.815 3.256 20 30 EGEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2cc(Cl)ccc2o1 ZINC001085705425 1358697198 /nfs/dbraw/zinc/69/71/98/1358697198.db2.gz PTIYGWOXTQUDKL-OAHLLOKOSA-N 1 2 330.815 3.256 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)c1ccoc1C1CC1 ZINC001085785298 1358760497 /nfs/dbraw/zinc/76/04/97/1358760497.db2.gz NRHMIYWKYPGRDP-IBGZPJMESA-N 1 2 348.446 3.355 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)c1ccoc1C1CC1 ZINC001085785298 1358760501 /nfs/dbraw/zinc/76/05/01/1358760501.db2.gz NRHMIYWKYPGRDP-IBGZPJMESA-N 1 2 348.446 3.355 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)C1CCC(F)CC1 ZINC001085801227 1358776533 /nfs/dbraw/zinc/77/65/33/1358776533.db2.gz MWJLHBPMYRYDIW-SOAGJPPSSA-N 1 2 342.458 3.099 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)C1CCC(F)CC1 ZINC001085801227 1358776535 /nfs/dbraw/zinc/77/65/35/1358776535.db2.gz MWJLHBPMYRYDIW-SOAGJPPSSA-N 1 2 342.458 3.099 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001085806890 1358784707 /nfs/dbraw/zinc/78/47/07/1358784707.db2.gz STIHJXBRVVMTRG-CKEIUWERSA-N 1 2 331.485 3.089 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001085806890 1358784708 /nfs/dbraw/zinc/78/47/08/1358784708.db2.gz STIHJXBRVVMTRG-CKEIUWERSA-N 1 2 331.485 3.089 20 30 EGEDLO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2sccc2C)C1 ZINC001087420179 1359457136 /nfs/dbraw/zinc/45/71/36/1359457136.db2.gz OKDRLLOTIUOKPG-QZTJIDSGSA-N 1 2 338.476 3.278 20 30 EGEDLO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2sccc2C)C1 ZINC001087420179 1359457141 /nfs/dbraw/zinc/45/71/41/1359457141.db2.gz OKDRLLOTIUOKPG-QZTJIDSGSA-N 1 2 338.476 3.278 20 30 EGEDLO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2occc2Cl)C1 ZINC001087435891 1359464673 /nfs/dbraw/zinc/46/46/73/1359464673.db2.gz MCSDKQOQEBKEMF-NVXWUHKLSA-N 1 2 342.826 3.154 20 30 EGEDLO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2occc2Cl)C1 ZINC001087435891 1359464676 /nfs/dbraw/zinc/46/46/76/1359464676.db2.gz MCSDKQOQEBKEMF-NVXWUHKLSA-N 1 2 342.826 3.154 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)C2CC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001087482117 1359485237 /nfs/dbraw/zinc/48/52/37/1359485237.db2.gz VQEYKQLGZCKNBS-ZWKOTPCHSA-N 1 2 330.859 3.071 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)C2CC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001087482117 1359485239 /nfs/dbraw/zinc/48/52/39/1359485239.db2.gz VQEYKQLGZCKNBS-ZWKOTPCHSA-N 1 2 330.859 3.071 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(F)cccc2OC)[C@H]1CC ZINC001087583099 1359542298 /nfs/dbraw/zinc/54/22/98/1359542298.db2.gz QFETWUKFCLAQJT-UONOGXRCSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(F)cccc2OC)[C@H]1CC ZINC001087583099 1359542300 /nfs/dbraw/zinc/54/23/00/1359542300.db2.gz QFETWUKFCLAQJT-UONOGXRCSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2sc(Cl)nc2C)[C@H]1CC ZINC001087586699 1359545041 /nfs/dbraw/zinc/54/50/41/1359545041.db2.gz YHJYTNCOIXNFFL-WDEREUQCSA-N 1 2 348.299 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2sc(Cl)nc2C)[C@H]1CC ZINC001087586699 1359545045 /nfs/dbraw/zinc/54/50/45/1359545045.db2.gz YHJYTNCOIXNFFL-WDEREUQCSA-N 1 2 348.299 3.440 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cscn3)[C@@H]2CC)CC1 ZINC001087714169 1359606173 /nfs/dbraw/zinc/60/61/73/1359606173.db2.gz XUBZXUOHRGLQMT-DLBZAZTESA-N 1 2 333.501 3.359 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cscn3)[C@@H]2CC)CC1 ZINC001087714169 1359606176 /nfs/dbraw/zinc/60/61/76/1359606176.db2.gz XUBZXUOHRGLQMT-DLBZAZTESA-N 1 2 333.501 3.359 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)c(C)o3)[C@@H]2CC)C1 ZINC001087714410 1359607248 /nfs/dbraw/zinc/60/72/48/1359607248.db2.gz MDBVQYQMECARRA-JKSUJKDBSA-N 1 2 331.460 3.117 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)c(C)o3)[C@@H]2CC)C1 ZINC001087714410 1359607251 /nfs/dbraw/zinc/60/72/51/1359607251.db2.gz MDBVQYQMECARRA-JKSUJKDBSA-N 1 2 331.460 3.117 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2ccoc2)CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC001088468473 1359930628 /nfs/dbraw/zinc/93/06/28/1359930628.db2.gz MCGBCRWDIYVVJM-KDOFPFPSSA-N 1 2 342.826 3.177 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2ccoc2)CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001088468473 1359930629 /nfs/dbraw/zinc/93/06/29/1359930629.db2.gz MCGBCRWDIYVVJM-KDOFPFPSSA-N 1 2 342.826 3.177 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC23CC3)[C@H]1C ZINC001088660361 1360006509 /nfs/dbraw/zinc/00/65/09/1360006509.db2.gz WEPGTEUILKVKBZ-MCIONIFRSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC23CC3)[C@H]1C ZINC001088660361 1360006511 /nfs/dbraw/zinc/00/65/11/1360006511.db2.gz WEPGTEUILKVKBZ-MCIONIFRSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)n([C@H](C)CC)n2)[C@H]1C ZINC001088687306 1360012308 /nfs/dbraw/zinc/01/23/08/1360012308.db2.gz AACGRGZVWAVLTH-YUELXQCFSA-N 1 2 338.883 3.108 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)n([C@H](C)CC)n2)[C@H]1C ZINC001088687306 1360012311 /nfs/dbraw/zinc/01/23/11/1360012311.db2.gz AACGRGZVWAVLTH-YUELXQCFSA-N 1 2 338.883 3.108 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2CC3(CCC3)C2)[C@H]1C ZINC001088803089 1360053118 /nfs/dbraw/zinc/05/31/18/1360053118.db2.gz WBXYPQAZZSOQNT-OCCSQVGLSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2CC3(CCC3)C2)[C@H]1C ZINC001088803089 1360053119 /nfs/dbraw/zinc/05/31/19/1360053119.db2.gz WBXYPQAZZSOQNT-OCCSQVGLSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccc2OCC2CC2)[C@H]1C ZINC001089057842 1360151685 /nfs/dbraw/zinc/15/16/85/1360151685.db2.gz PZJNADPFQJGHQB-PBHICJAKSA-N 1 2 348.874 3.421 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2OCC2CC2)[C@H]1C ZINC001089057842 1360151686 /nfs/dbraw/zinc/15/16/86/1360151686.db2.gz PZJNADPFQJGHQB-PBHICJAKSA-N 1 2 348.874 3.421 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(N(C)CCC)cc2)[C@H]1C ZINC001089077417 1360161545 /nfs/dbraw/zinc/16/15/45/1360161545.db2.gz GJGIMDVNXRDAGL-QAPCUYQASA-N 1 2 349.906 3.478 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(N(C)CCC)cc2)[C@H]1C ZINC001089077417 1360161548 /nfs/dbraw/zinc/16/15/48/1360161548.db2.gz GJGIMDVNXRDAGL-QAPCUYQASA-N 1 2 349.906 3.478 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)N(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001089162330 1360218756 /nfs/dbraw/zinc/21/87/56/1360218756.db2.gz OVENPSMWYIVPKP-NVXWUHKLSA-N 1 2 342.487 3.492 20 30 EGEDLO C#CCCCC(=O)N[C@@H](C)C[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001089299336 1360318378 /nfs/dbraw/zinc/31/83/78/1360318378.db2.gz TXXZRGXLQGVNRZ-GJZGRUSLSA-N 1 2 330.476 3.407 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3nncs3)CC(C)(C)C2)C1 ZINC001089485433 1360466316 /nfs/dbraw/zinc/46/63/16/1360466316.db2.gz LSODILIECMHBNY-CQSZACIVSA-N 1 2 348.516 3.001 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3nncs3)CC(C)(C)C2)C1 ZINC001089485433 1360466317 /nfs/dbraw/zinc/46/63/17/1360466317.db2.gz LSODILIECMHBNY-CQSZACIVSA-N 1 2 348.516 3.001 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccccc1O ZINC001089610563 1360533046 /nfs/dbraw/zinc/53/30/46/1360533046.db2.gz UEZGHOUIFXQHMX-CQSZACIVSA-N 1 2 336.863 3.365 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccccc1O ZINC001089610563 1360533047 /nfs/dbraw/zinc/53/30/47/1360533047.db2.gz UEZGHOUIFXQHMX-CQSZACIVSA-N 1 2 336.863 3.365 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N[C@H](C)CCCCNc1cc[nH+]c(C)n1)OCC ZINC001090117633 1360833930 /nfs/dbraw/zinc/83/39/30/1360833930.db2.gz UEJQPEWRDPGVHI-NVXWUHKLSA-N 1 2 348.491 3.243 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H](CNc2cc[nH+]c(C)n2)[C@@H](C)C1 ZINC001090282916 1360887043 /nfs/dbraw/zinc/88/70/43/1360887043.db2.gz YMNSNXTYAZLMKY-GOEBONIOSA-N 1 2 330.476 3.284 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C12CCC2 ZINC001090612152 1360910567 /nfs/dbraw/zinc/91/05/67/1360910567.db2.gz GPCGDMRFQHIXLP-IAGOWNOFSA-N 1 2 340.471 3.393 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)[C@H]2C1 ZINC001091226004 1361014408 /nfs/dbraw/zinc/01/44/08/1361014408.db2.gz GYSIWPPDKHTOPE-ROUUACIJSA-N 1 2 342.487 3.185 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001091496000 1361123205 /nfs/dbraw/zinc/12/32/05/1361123205.db2.gz QYLRITZTDPJBAN-SHTZXODSSA-N 1 2 330.476 3.427 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)[C@@H]1C ZINC001092039582 1361279767 /nfs/dbraw/zinc/27/97/67/1361279767.db2.gz SMTFMUWHDASPAD-SJORKVTESA-N 1 2 342.487 3.185 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC1CC2(C1)CC(Nc1cc[nH+]c(C)n1)C2 ZINC001093439143 1361623757 /nfs/dbraw/zinc/62/37/57/1361623757.db2.gz DVJZOSKELRUARQ-IZCUCQHTSA-N 1 2 328.460 3.227 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C(F)=C3CCCC3)CC2)C1 ZINC001093525538 1361634885 /nfs/dbraw/zinc/63/48/85/1361634885.db2.gz BJBGIWYVDAAEAO-UHFFFAOYSA-N 1 2 336.451 3.052 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[C@@H]3CCC[C@@H]3C)CC2)C1 ZINC001093539041 1361637233 /nfs/dbraw/zinc/63/72/33/1361637233.db2.gz MMUXQZDLUVLLLB-IRXDYDNUSA-N 1 2 334.504 3.081 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3CCC[C@H]3CCC)CC2)C1 ZINC001093548367 1361639328 /nfs/dbraw/zinc/63/93/28/1361639328.db2.gz BVDWEUDPSVKBDP-APWZRJJASA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3ccc(CC)s3)CC2)C1 ZINC001093550200 1361640131 /nfs/dbraw/zinc/64/01/31/1361640131.db2.gz JNJJNBGGESOQOG-UHFFFAOYSA-N 1 2 348.512 3.192 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3ccc(CC)cc3)CC2)C1 ZINC001093595207 1361652424 /nfs/dbraw/zinc/65/24/24/1361652424.db2.gz QCJPUCDEBOYSID-UHFFFAOYSA-N 1 2 342.483 3.131 20 30 EGEDLO CC(C)c1cc(NCCNC(=O)C#CC(C)(C)C)nc(C(C)C)[nH+]1 ZINC001093610309 1361657918 /nfs/dbraw/zinc/65/79/18/1361657918.db2.gz UNZXPAWSKVRLEM-UHFFFAOYSA-N 1 2 330.476 3.301 20 30 EGEDLO C=CCCOCC(=O)NCCCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001094477162 1361820874 /nfs/dbraw/zinc/82/08/74/1361820874.db2.gz UZVKTIMJGAGNSX-UHFFFAOYSA-N 1 2 348.491 3.234 20 30 EGEDLO CC#CCCCC(=O)N1CCCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001095203837 1362051928 /nfs/dbraw/zinc/05/19/28/1362051928.db2.gz LYOGMHFGIKFORB-UHFFFAOYSA-N 1 2 342.487 3.141 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2=CCCC2)C3)c1 ZINC001095305207 1362091314 /nfs/dbraw/zinc/09/13/14/1362091314.db2.gz DLCLMOKYXAHMMN-NEWSRXKRSA-N 1 2 339.414 3.029 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2=CCCC2)C3)c1 ZINC001095305207 1362091317 /nfs/dbraw/zinc/09/13/17/1362091317.db2.gz DLCLMOKYXAHMMN-NEWSRXKRSA-N 1 2 339.414 3.029 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095376142 1362119915 /nfs/dbraw/zinc/11/99/15/1362119915.db2.gz OAOWGAHVFXHVAL-KGLIPLIRSA-N 1 2 344.503 3.193 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001095693663 1362202932 /nfs/dbraw/zinc/20/29/32/1362202932.db2.gz KJGWBPRHCZJPGX-UHFFFAOYSA-N 1 2 330.476 3.207 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001095712725 1362209944 /nfs/dbraw/zinc/20/99/44/1362209944.db2.gz 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N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C1CC1)C1CC1)C2 ZINC001096305126 1362458355 /nfs/dbraw/zinc/45/83/55/1362458355.db2.gz NJNNRNKVOFDUCU-AABGKKOBSA-N 1 2 349.478 3.216 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C1CC1)C1CC1)C2 ZINC001096305126 1362458356 /nfs/dbraw/zinc/45/83/56/1362458356.db2.gz NJNNRNKVOFDUCU-AABGKKOBSA-N 1 2 349.478 3.216 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096438298 1362512789 /nfs/dbraw/zinc/51/27/89/1362512789.db2.gz OYNISTAACCMWCC-QGZVFWFLSA-N 1 2 342.487 3.372 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1OCc3ccccc31)C2 ZINC001096449658 1362515695 /nfs/dbraw/zinc/51/56/95/1362515695.db2.gz UDGGQDUUHJVVQJ-UBDQQSCGSA-N 1 2 346.858 3.122 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1OCc3ccccc31)C2 ZINC001096449658 1362515698 /nfs/dbraw/zinc/51/56/98/1362515698.db2.gz UDGGQDUUHJVVQJ-UBDQQSCGSA-N 1 2 346.858 3.122 20 30 EGEDLO 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/nfs/dbraw/zinc/26/90/33/1363269033.db2.gz BPHIBJCARRHOJU-ILOCAZANSA-N 1 2 330.859 3.264 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(Cl)c1)C2 ZINC001098266571 1363278964 /nfs/dbraw/zinc/27/89/64/1363278964.db2.gz CFKCLHZGNNHEOX-KFWWJZLASA-N 1 2 325.239 3.428 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(Cl)c1)C2 ZINC001098266571 1363278968 /nfs/dbraw/zinc/27/89/68/1363278968.db2.gz CFKCLHZGNNHEOX-KFWWJZLASA-N 1 2 325.239 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1OCc3ccccc31)C2 ZINC001098299696 1363289343 /nfs/dbraw/zinc/28/93/43/1363289343.db2.gz UDGGQDUUHJVVQJ-NRSFXHEJSA-N 1 2 346.858 3.122 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1OCc3ccccc31)C2 ZINC001098299696 1363289345 /nfs/dbraw/zinc/28/93/45/1363289345.db2.gz UDGGQDUUHJVVQJ-NRSFXHEJSA-N 1 2 346.858 3.122 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)c1cccc(OC)c1)C2 ZINC001098466206 1363333689 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/nfs/dbraw/zinc/68/46/66/1363684666.db2.gz GFGNYSDCCLNUIO-JKSUJKDBSA-N 1 2 348.491 3.087 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCN(CC)c1nc(C)[nH+]c2c1CCCC2 ZINC001100626513 1364195616 /nfs/dbraw/zinc/19/56/16/1364195616.db2.gz JTBBVHBAUPBDAP-UHFFFAOYSA-N 1 2 344.503 3.209 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCCN(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001100691527 1364220578 /nfs/dbraw/zinc/22/05/78/1364220578.db2.gz RWTIQQHAWXHUDR-ZFWWWQNUSA-N 1 2 330.476 3.063 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCN(CC)c1nc(C)[nH+]c2c1CCCC2 ZINC001100691602 1364220663 /nfs/dbraw/zinc/22/06/63/1364220663.db2.gz URGMXIVHMCUUQO-LSDHHAIUSA-N 1 2 344.503 3.065 20 30 EGEDLO C=CCC[C@@H](C(=O)N(C)CCNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001101674773 1364683938 /nfs/dbraw/zinc/68/39/38/1364683938.db2.gz AVIUUKVXDDEBRX-GOSISDBHSA-N 1 2 338.455 3.405 20 30 EGEDLO C=CCC1(C(=O)N(C)CCNc2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001101929655 1364777798 /nfs/dbraw/zinc/77/77/98/1364777798.db2.gz CFYCUJOYFFVGMV-UHFFFAOYSA-N 1 2 328.460 3.279 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC([C@@H](C)Nc2cc[nH+]c(C)n2)CC1 ZINC001102067133 1364832918 /nfs/dbraw/zinc/83/29/18/1364832918.db2.gz PCWMAIRYVTYBCD-HUUCEWRRSA-N 1 2 330.476 3.426 20 30 EGEDLO C#CCC1(C(=O)N2CCC([C@@H](C)Nc3cc[nH+]c(C)n3)CC2)CCC1 ZINC001102068735 1364835185 /nfs/dbraw/zinc/83/51/85/1364835185.db2.gz SBFNVDCRMNYYJY-OAHLLOKOSA-N 1 2 340.471 3.018 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]c(CC)n1 ZINC001102205824 1364933174 /nfs/dbraw/zinc/93/31/74/1364933174.db2.gz XPPFUKIJZXPNLT-ZACQAIPSSA-N 1 2 342.487 3.129 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102756219 1365204019 /nfs/dbraw/zinc/20/40/19/1365204019.db2.gz QZAVOYKKQNUKHJ-VQIMIIECSA-N 1 2 330.476 3.041 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102756217 1365204174 /nfs/dbraw/zinc/20/41/74/1365204174.db2.gz QZAVOYKKQNUKHJ-LPHOPBHVSA-N 1 2 330.476 3.041 20 30 EGEDLO C=CCCCC(=O)N(C)[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001102757598 1365204340 /nfs/dbraw/zinc/20/43/40/1365204340.db2.gz LEXRQWRHGTUWHG-MRXNPFEDSA-N 1 2 330.476 3.302 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1CCCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102880418 1365269516 /nfs/dbraw/zinc/26/95/16/1365269516.db2.gz HZCYGHDTGKESJM-KDOFPFPSSA-N 1 2 344.503 3.479 20 30 EGEDLO CC#CCCCC(=O)NC[C@H](CC)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001103264855 1365462729 /nfs/dbraw/zinc/46/27/29/1365462729.db2.gz OKWQNYGZEXQCNB-INIZCTEOSA-N 1 2 328.460 3.163 20 30 EGEDLO C=CCCCC(=O)NCC[C@@H]1C[N@H+](Cc2noc(C(C)C)n2)C[C@H]1C ZINC001103385160 1365528152 /nfs/dbraw/zinc/52/81/52/1365528152.db2.gz GBPWLBSYHPQQKE-HZPDHXFCSA-N 1 2 348.491 3.124 20 30 EGEDLO C=CCCCC(=O)NCC[C@@H]1C[N@@H+](Cc2noc(C(C)C)n2)C[C@H]1C ZINC001103385160 1365528159 /nfs/dbraw/zinc/52/81/59/1365528159.db2.gz GBPWLBSYHPQQKE-HZPDHXFCSA-N 1 2 348.491 3.124 20 30 EGEDLO C#CCCCC(=O)N[C@](C)(CNc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001103526055 1365612987 /nfs/dbraw/zinc/61/29/87/1365612987.db2.gz ISHSFNYVXDWFDQ-HXUWFJFHSA-N 1 2 342.487 3.409 20 30 EGEDLO Cc1cc(NC[C@@](C)(NC(=O)C#CC(C)C)C2CC2)nc(C(C)C)[nH+]1 ZINC001103529049 1365615524 /nfs/dbraw/zinc/61/55/24/1365615524.db2.gz JWJGSONTYZCERG-HXUWFJFHSA-N 1 2 342.487 3.265 20 30 EGEDLO Cc1cc(NC[C@@](C)(NC(=O)C#CC(C)C)C2CC2)nc(C2CC2)[nH+]1 ZINC001103529237 1365615620 /nfs/dbraw/zinc/61/56/20/1365615620.db2.gz PDVKTMAMCSESMF-HXUWFJFHSA-N 1 2 340.471 3.019 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CC[C@H](Nc3cc[nH+]c(C)n3)CC2)CC1 ZINC001103654548 1365705630 /nfs/dbraw/zinc/70/56/30/1365705630.db2.gz PHNLJGDNQDGQHA-WKILWMFISA-N 1 2 328.460 3.371 20 30 EGEDLO Cc1cc(NC[C@H]2CCCN2C(=O)C#CC(C)(C)C)nc(C2CC2)[nH+]1 ZINC001103804635 1365789378 /nfs/dbraw/zinc/78/93/78/1365789378.db2.gz WUHQCIHIPAFEKY-MRXNPFEDSA-N 1 2 340.471 3.115 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@@H]1CNc1nc(C)[nH+]c2c1CCCC2 ZINC001103822713 1365798870 /nfs/dbraw/zinc/79/88/70/1365798870.db2.gz ZPYDADDPJFULDF-MRXNPFEDSA-N 1 2 342.487 3.423 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104164244 1365933245 /nfs/dbraw/zinc/93/32/45/1365933245.db2.gz RQQQBVGUKCOXOJ-GDBMZVCRSA-N 1 2 344.503 3.430 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001104209024 1365951995 /nfs/dbraw/zinc/95/19/95/1365951995.db2.gz NMGMFCSAJWIMNY-ORAYPTAESA-N 1 2 330.476 3.429 20 30 EGEDLO C=CCC1(C(=O)NCC2(Nc3cc[nH+]c(C)n3)CCCC2)CCC1 ZINC001104427435 1366023305 /nfs/dbraw/zinc/02/33/05/1366023305.db2.gz XWDLZVYNQNBBQM-UHFFFAOYSA-N 1 2 328.460 3.372 20 30 EGEDLO C#CCCCC(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)[C@H](C)C1 ZINC001105032450 1366285850 /nfs/dbraw/zinc/28/58/50/1366285850.db2.gz AKEVJBUKVBRBEE-WBVHZDCISA-N 1 2 342.487 3.361 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@H]([C@@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001105077408 1366310466 /nfs/dbraw/zinc/31/04/66/1366310466.db2.gz NINVNGIWRPSAKC-WBVHZDCISA-N 1 2 328.460 3.018 20 30 EGEDLO CC#CCCCC(=O)N1CCC[C@@H]([C@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001105081952 1366314931 /nfs/dbraw/zinc/31/49/31/1366314931.db2.gz UFZZKGMDKGTWKB-DOTOQJQBSA-N 1 2 328.460 3.018 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCC[C@@H]1CNc1nc(C)[nH+]c2c1CCCC2 ZINC001105646930 1366558177 /nfs/dbraw/zinc/55/81/77/1366558177.db2.gz MFALNQMWYYMVOF-WBVHZDCISA-N 1 2 342.487 3.327 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001105689558 1366574926 /nfs/dbraw/zinc/57/49/26/1366574926.db2.gz QXIBNSDIQKWHBX-IAGOWNOFSA-N 1 2 328.460 3.066 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H](CC)CCCC)CC2)C1 ZINC001105690091 1366575174 /nfs/dbraw/zinc/57/51/74/1366575174.db2.gz DOPRBXZGZFCPNZ-KRWDZBQOSA-N 1 2 336.520 3.471 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC(OC2C[NH+](CC=C(C)C)C2)CC1 ZINC001105721050 1366584187 /nfs/dbraw/zinc/58/41/87/1366584187.db2.gz NLCMLZCMBPPQEQ-KRWDZBQOSA-N 1 2 334.504 3.247 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[C@H](C)C(C)(C)C)CC2)C1 ZINC001105734015 1366589083 /nfs/dbraw/zinc/58/90/83/1366589083.db2.gz VTXYYAUTHRNGJS-INIZCTEOSA-N 1 2 336.520 3.327 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N(CC)CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001106687780 1366772262 /nfs/dbraw/zinc/77/22/62/1366772262.db2.gz AXPPDPNKSXVVOR-INIZCTEOSA-N 1 2 348.491 3.150 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109153192 1366978005 /nfs/dbraw/zinc/97/80/05/1366978005.db2.gz IZQVACXVDRVGMT-IKGGRYGDSA-N 1 2 327.403 3.043 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109153192 1366978009 /nfs/dbraw/zinc/97/80/09/1366978009.db2.gz IZQVACXVDRVGMT-IKGGRYGDSA-N 1 2 327.403 3.043 20 30 EGEDLO C=C1CCC(C(=O)NC/C=C/CNc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001107493847 1366993393 /nfs/dbraw/zinc/99/33/93/1366993393.db2.gz OBMFBYLAOIOEBB-ONEGZZNKSA-N 1 2 340.471 3.493 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001109202599 1367000373 /nfs/dbraw/zinc/00/03/73/1367000373.db2.gz HWAJUJHFYYBTOW-LSDHHAIUSA-N 1 2 330.476 3.206 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001109225362 1367013159 /nfs/dbraw/zinc/01/31/59/1367013159.db2.gz LUWZSXCYGILNFK-IFXJQAMLSA-N 1 2 330.476 3.206 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)/C=C/C(C)(C)C)C1 ZINC001189430145 1367021848 /nfs/dbraw/zinc/02/18/48/1367021848.db2.gz XONDYUUGFNEBJV-KOEDOTQGSA-N 1 2 343.446 3.332 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)/C=C/C(C)(C)C)C1 ZINC001189430145 1367021855 /nfs/dbraw/zinc/02/18/55/1367021855.db2.gz XONDYUUGFNEBJV-KOEDOTQGSA-N 1 2 343.446 3.332 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(F)c1 ZINC001109259630 1367030431 /nfs/dbraw/zinc/03/04/31/1367030431.db2.gz LGSJDSCLFCKCRW-JLSDUUJJSA-N 1 2 346.421 3.236 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(F)c1 ZINC001109259630 1367030435 /nfs/dbraw/zinc/03/04/35/1367030435.db2.gz LGSJDSCLFCKCRW-JLSDUUJJSA-N 1 2 346.421 3.236 20 30 EGEDLO Cc1nc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC(C)(C)C)C3)c(C)s1 ZINC001109260723 1367030605 /nfs/dbraw/zinc/03/06/05/1367030605.db2.gz MKMBTLAJPCSHRG-VYDXJSESSA-N 1 2 345.512 3.031 20 30 EGEDLO Cc1nc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC(C)(C)C)C3)c(C)s1 ZINC001109260723 1367030609 /nfs/dbraw/zinc/03/06/09/1367030609.db2.gz MKMBTLAJPCSHRG-VYDXJSESSA-N 1 2 345.512 3.031 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1(C(F)(F)F)CC1)C2 ZINC001109395558 1367103286 /nfs/dbraw/zinc/10/32/86/1367103286.db2.gz PRTSMHVYGADNST-WOPDTQHZSA-N 1 2 336.785 3.193 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1(C(F)(F)F)CC1)C2 ZINC001109395558 1367103289 /nfs/dbraw/zinc/10/32/89/1367103289.db2.gz PRTSMHVYGADNST-WOPDTQHZSA-N 1 2 336.785 3.193 20 30 EGEDLO CC[C@H](C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001189882434 1367122773 /nfs/dbraw/zinc/12/27/73/1367122773.db2.gz IFFMDOQAIXTOFJ-KBXCAEBGSA-N 1 2 331.435 3.166 20 30 EGEDLO CC[C@H](C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001189882434 1367122775 /nfs/dbraw/zinc/12/27/75/1367122775.db2.gz IFFMDOQAIXTOFJ-KBXCAEBGSA-N 1 2 331.435 3.166 20 30 EGEDLO CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001190271429 1367213273 /nfs/dbraw/zinc/21/32/73/1367213273.db2.gz YGFALZNYRBPQFM-STQMWFEESA-N 1 2 326.378 3.390 20 30 EGEDLO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001190271429 1367213280 /nfs/dbraw/zinc/21/32/80/1367213280.db2.gz YGFALZNYRBPQFM-STQMWFEESA-N 1 2 326.378 3.390 20 30 EGEDLO CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001190271429 1367213283 /nfs/dbraw/zinc/21/32/83/1367213283.db2.gz YGFALZNYRBPQFM-STQMWFEESA-N 1 2 326.378 3.390 20 30 EGEDLO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001190271429 1367213288 /nfs/dbraw/zinc/21/32/88/1367213288.db2.gz YGFALZNYRBPQFM-STQMWFEESA-N 1 2 326.378 3.390 20 30 EGEDLO CC#CCCCC(=O)N(C)CCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001109588242 1367214172 /nfs/dbraw/zinc/21/41/72/1367214172.db2.gz VSGCPKXYSIJNPH-UHFFFAOYSA-N 1 2 330.476 3.362 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2c(Cl)oc3ccccc32)C1 ZINC001108154942 1367314342 /nfs/dbraw/zinc/31/43/42/1367314342.db2.gz KQOVHGJDDKYFTE-SFHVURJKSA-N 1 2 348.830 3.093 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2c(Cl)oc3ccccc32)C1 ZINC001108154942 1367314345 /nfs/dbraw/zinc/31/43/45/1367314345.db2.gz KQOVHGJDDKYFTE-SFHVURJKSA-N 1 2 348.830 3.093 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC2CCCC2)C(C)C)C1 ZINC001108257142 1367366346 /nfs/dbraw/zinc/36/63/46/1367366346.db2.gz HHNSSWLTXOKPAN-PZJWPPBQSA-N 1 2 348.531 3.069 20 30 EGEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC2CCCC2)C(C)C)C1 ZINC001108257142 1367366350 /nfs/dbraw/zinc/36/63/50/1367366350.db2.gz HHNSSWLTXOKPAN-PZJWPPBQSA-N 1 2 348.531 3.069 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H](c2ccccc2)C(C)C)C1 ZINC001108336415 1367395718 /nfs/dbraw/zinc/39/57/18/1367395718.db2.gz CKACJSYWLQTDCU-FPOVZHCZSA-N 1 2 344.499 3.209 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H](c2ccccc2)C(C)C)C1 ZINC001108336415 1367395723 /nfs/dbraw/zinc/39/57/23/1367395723.db2.gz CKACJSYWLQTDCU-FPOVZHCZSA-N 1 2 344.499 3.209 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H](C)CNc1[nH+]cnc2c1cnn2C ZINC001108353324 1367405625 /nfs/dbraw/zinc/40/56/25/1367405625.db2.gz OHSGFCGMXYGZNP-AWEZNQCLSA-N 1 2 346.479 3.031 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@@H](CC)C1 ZINC001110033668 1367471750 /nfs/dbraw/zinc/47/17/50/1367471750.db2.gz NXXBFMNVEJLFCC-ZWKOTPCHSA-N 1 2 342.487 3.408 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1c(C)cccc1C)C2 ZINC001110073085 1367493424 /nfs/dbraw/zinc/49/34/24/1367493424.db2.gz FOSXWIBAAFDYRL-IKGGRYGDSA-N 1 2 348.874 3.156 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1c(C)cccc1C)C2 ZINC001110073085 1367493427 /nfs/dbraw/zinc/49/34/27/1367493427.db2.gz FOSXWIBAAFDYRL-IKGGRYGDSA-N 1 2 348.874 3.156 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccc(C)cc1C)C2 ZINC001110087474 1367498513 /nfs/dbraw/zinc/49/85/13/1367498513.db2.gz YGKDPIRIDGXKQF-IKGGRYGDSA-N 1 2 348.874 3.156 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccc(C)cc1C)C2 ZINC001110087474 1367498515 /nfs/dbraw/zinc/49/85/15/1367498515.db2.gz YGKDPIRIDGXKQF-IKGGRYGDSA-N 1 2 348.874 3.156 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H](C)CNc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001108675468 1367525779 /nfs/dbraw/zinc/52/57/79/1367525779.db2.gz BIUHZHALZCJTCW-AWEZNQCLSA-N 1 2 342.487 3.327 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](OCC)c1ccccc1)C2 ZINC001110188641 1367556003 /nfs/dbraw/zinc/55/60/03/1367556003.db2.gz KFXFBASJSYJVAH-OWSLCNJRSA-N 1 2 348.874 3.238 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](OCC)c1ccccc1)C2 ZINC001110188641 1367556005 /nfs/dbraw/zinc/55/60/05/1367556005.db2.gz KFXFBASJSYJVAH-OWSLCNJRSA-N 1 2 348.874 3.238 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](OCC)c1ccccc1)C2 ZINC001110188642 1367556426 /nfs/dbraw/zinc/55/64/26/1367556426.db2.gz KFXFBASJSYJVAH-VSZNYVQBSA-N 1 2 348.874 3.238 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](OCC)c1ccccc1)C2 ZINC001110188642 1367556428 /nfs/dbraw/zinc/55/64/28/1367556428.db2.gz KFXFBASJSYJVAH-VSZNYVQBSA-N 1 2 348.874 3.238 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2nc(C)c(C)s2)C1 ZINC001191868627 1367621846 /nfs/dbraw/zinc/62/18/46/1367621846.db2.gz XBCFFACFPGHSBR-CJNGLKHVSA-N 1 2 335.517 3.395 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2nc(C)c(C)s2)C1 ZINC001191868627 1367621852 /nfs/dbraw/zinc/62/18/52/1367621852.db2.gz XBCFFACFPGHSBR-CJNGLKHVSA-N 1 2 335.517 3.395 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccncc2Cl)C1 ZINC001191868308 1367622709 /nfs/dbraw/zinc/62/27/09/1367622709.db2.gz RMJUZYTVGIJPHG-GDBMZVCRSA-N 1 2 335.879 3.370 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccncc2Cl)C1 ZINC001191868308 1367622725 /nfs/dbraw/zinc/62/27/25/1367622725.db2.gz RMJUZYTVGIJPHG-GDBMZVCRSA-N 1 2 335.879 3.370 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001191911723 1367634611 /nfs/dbraw/zinc/63/46/11/1367634611.db2.gz JJRULKYYQAKMQB-PBHICJAKSA-N 1 2 331.460 3.187 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001191911723 1367634618 /nfs/dbraw/zinc/63/46/18/1367634618.db2.gz JJRULKYYQAKMQB-PBHICJAKSA-N 1 2 331.460 3.187 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2nc(C(C)C)no2)C1 ZINC001192058786 1367677227 /nfs/dbraw/zinc/67/72/27/1367677227.db2.gz AZYLBGGWWSJTHP-GJZGRUSLSA-N 1 2 334.464 3.143 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2nc(C(C)C)no2)C1 ZINC001192058786 1367677231 /nfs/dbraw/zinc/67/72/31/1367677231.db2.gz AZYLBGGWWSJTHP-GJZGRUSLSA-N 1 2 334.464 3.143 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC2CC2)C3)c1 ZINC001110411076 1367700077 /nfs/dbraw/zinc/70/00/77/1367700077.db2.gz VKPFHNHYKVZODA-QRQLOZEOSA-N 1 2 341.430 3.109 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC2CC2)C3)c1 ZINC001110411076 1367700083 /nfs/dbraw/zinc/70/00/83/1367700083.db2.gz VKPFHNHYKVZODA-QRQLOZEOSA-N 1 2 341.430 3.109 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)C2(CCCC)CC2)C1 ZINC001192195932 1367713066 /nfs/dbraw/zinc/71/30/66/1367713066.db2.gz AZEMQTYSPVDVEG-AWEZNQCLSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)C2(CCCC)CC2)C1 ZINC001192195932 1367713070 /nfs/dbraw/zinc/71/30/70/1367713070.db2.gz AZEMQTYSPVDVEG-AWEZNQCLSA-N 1 2 343.309 3.398 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3coc(C4CC4)n3)C2)CC1 ZINC001192218875 1367721725 /nfs/dbraw/zinc/72/17/25/1367721725.db2.gz XHGAYNSRXVDCRU-KRWDZBQOSA-N 1 2 343.471 3.331 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3coc(C4CC4)n3)C2)CC1 ZINC001192218875 1367721730 /nfs/dbraw/zinc/72/17/30/1367721730.db2.gz XHGAYNSRXVDCRU-KRWDZBQOSA-N 1 2 343.471 3.331 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1F ZINC001110459645 1367748731 /nfs/dbraw/zinc/74/87/31/1367748731.db2.gz VBKAHETYFODRNA-QRQLOZEOSA-N 1 2 346.421 3.380 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1F ZINC001110459645 1367748737 /nfs/dbraw/zinc/74/87/37/1367748737.db2.gz VBKAHETYFODRNA-QRQLOZEOSA-N 1 2 346.421 3.380 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C[C@H]1C ZINC001110501712 1367789304 /nfs/dbraw/zinc/78/93/04/1367789304.db2.gz JNJNIGRFYYDRKV-GDBMZVCRSA-N 1 2 342.487 3.421 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@H]2CNc2cc[nH+]c(C)n2)CCCC1 ZINC001110546525 1367823627 /nfs/dbraw/zinc/82/36/27/1367823627.db2.gz AMVXCUWPORXJEU-INIZCTEOSA-N 1 2 328.460 3.324 20 30 EGEDLO C#CCN(C(=O)CCC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001110614099 1367872417 /nfs/dbraw/zinc/87/24/17/1367872417.db2.gz CRXACONPJYDGSO-UHFFFAOYSA-N 1 2 342.487 3.139 20 30 EGEDLO C#CCCCCC(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C1CCCC1 ZINC001110661335 1367903642 /nfs/dbraw/zinc/90/36/42/1367903642.db2.gz YMVZHTJLYYKFKA-KRWDZBQOSA-N 1 2 328.460 3.066 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@](C)(CNc2cc[nH+]c(C)n2)C1 ZINC001110850752 1368030992 /nfs/dbraw/zinc/03/09/92/1368030992.db2.gz VVFUEQPOZOIEOD-LJQANCHMSA-N 1 2 328.460 3.019 20 30 EGEDLO C=CCCC(=O)NCC1(C)CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001110868031 1368046715 /nfs/dbraw/zinc/04/67/15/1368046715.db2.gz OBWSAVCVYBABJK-UHFFFAOYSA-N 1 2 342.487 3.351 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)c(C)o1 ZINC001110934831 1368104399 /nfs/dbraw/zinc/10/43/99/1368104399.db2.gz OOAYWDMKBCNZRH-HZMVEIRTSA-N 1 2 331.460 3.115 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)c(C)o1 ZINC001110934831 1368104401 /nfs/dbraw/zinc/10/44/01/1368104401.db2.gz OOAYWDMKBCNZRH-HZMVEIRTSA-N 1 2 331.460 3.115 20 30 EGEDLO C=CCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]c(CC)n1 ZINC001111264753 1368229698 /nfs/dbraw/zinc/22/96/98/1368229698.db2.gz BDBOLNCFNCIGJW-BJWYYQGGSA-N 1 2 342.487 3.177 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1ccccc1)C2 ZINC001111437883 1368308060 /nfs/dbraw/zinc/30/80/60/1368308060.db2.gz ZZOTYNXCHJBJAE-PILAGYSTSA-N 1 2 332.875 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1ccccc1)C2 ZINC001111437883 1368308067 /nfs/dbraw/zinc/30/80/67/1368308067.db2.gz ZZOTYNXCHJBJAE-PILAGYSTSA-N 1 2 332.875 3.339 20 30 EGEDLO CC(C)[C@@H](C)CC(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001195191614 1368397220 /nfs/dbraw/zinc/39/72/20/1368397220.db2.gz MWSIBCUZYCXUAX-SFHVURJKSA-N 1 2 344.474 3.394 20 30 EGEDLO CC(C)[C@@H](C)CC(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001195191614 1368397226 /nfs/dbraw/zinc/39/72/26/1368397226.db2.gz MWSIBCUZYCXUAX-SFHVURJKSA-N 1 2 344.474 3.394 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H]1CC[C@H](CNc2cc[nH+]c(C)n2)CC1 ZINC001111645013 1368407950 /nfs/dbraw/zinc/40/79/50/1368407950.db2.gz SHWUAJMJFGPPMT-BRWVUGGUSA-N 1 2 330.476 3.474 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)c2ccc(-c3ccccn3)cc2Cl)CC1 ZINC001195653230 1368465192 /nfs/dbraw/zinc/46/51/92/1368465192.db2.gz MGPURPKIWWZIIZ-UHFFFAOYSA-N 1 2 341.842 3.346 20 30 EGEDLO CC[C@H](C)CC(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001195667034 1368468822 /nfs/dbraw/zinc/46/88/22/1368468822.db2.gz GXDXERSQAOXLFG-HNNXBMFYSA-N 1 2 331.435 3.168 20 30 EGEDLO CC[C@H](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001195667034 1368468824 /nfs/dbraw/zinc/46/88/24/1368468824.db2.gz GXDXERSQAOXLFG-HNNXBMFYSA-N 1 2 331.435 3.168 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001195990427 1368530252 /nfs/dbraw/zinc/53/02/52/1368530252.db2.gz SIDAWYVGNZJORZ-UHFFFAOYSA-N 1 2 342.458 3.314 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001195990427 1368530256 /nfs/dbraw/zinc/53/02/56/1368530256.db2.gz SIDAWYVGNZJORZ-UHFFFAOYSA-N 1 2 342.458 3.314 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001112009039 1368612833 /nfs/dbraw/zinc/61/28/33/1368612833.db2.gz SARHJWFWVDWQMS-QZTJIDSGSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2cccc(F)c2F)CC1 ZINC001196853211 1368698554 /nfs/dbraw/zinc/69/85/54/1368698554.db2.gz HSKGDKFRSNNIQP-HUUCEWRRSA-N 1 2 336.426 3.457 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2cccc(F)c2F)CC1 ZINC001196853211 1368698558 /nfs/dbraw/zinc/69/85/58/1368698558.db2.gz HSKGDKFRSNNIQP-HUUCEWRRSA-N 1 2 336.426 3.457 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001196854877 1368700236 /nfs/dbraw/zinc/70/02/36/1368700236.db2.gz UNSDKBHISRYJKD-JKSUJKDBSA-N 1 2 343.446 3.190 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001196854877 1368700240 /nfs/dbraw/zinc/70/02/40/1368700240.db2.gz UNSDKBHISRYJKD-JKSUJKDBSA-N 1 2 343.446 3.190 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CCN(c3cc[nH+]c(C)n3)CC2(C)C)CCC1 ZINC001112384530 1368813546 /nfs/dbraw/zinc/81/35/46/1368813546.db2.gz OZSIVCDAJZDRBA-INIZCTEOSA-N 1 2 342.487 3.253 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H](C)C1 ZINC001112486657 1368883317 /nfs/dbraw/zinc/88/33/17/1368883317.db2.gz BDOFXNSUPYYCNA-DOTOQJQBSA-N 1 2 342.487 3.492 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H](C)C1 ZINC001112495163 1368890795 /nfs/dbraw/zinc/89/07/95/1368890795.db2.gz OJPJJCMIUSFYAH-DOTOQJQBSA-N 1 2 342.487 3.492 20 30 EGEDLO C=CCOCC(=O)N1CC[NH+]([C@H](CC)c2ccc(Cl)cc2)CC1 ZINC001112703664 1368983851 /nfs/dbraw/zinc/98/38/51/1368983851.db2.gz BZHMZNKUHCOOJV-QGZVFWFLSA-N 1 2 336.863 3.138 20 30 EGEDLO C#CCCCCC(=O)N1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC001112775364 1368996460 /nfs/dbraw/zinc/99/64/60/1368996460.db2.gz RKAMTBMWFGKRHM-LJQANCHMSA-N 1 2 328.431 3.151 20 30 EGEDLO C#CCC1(C(=O)N2CCC[N@H+](Cc3ccns3)CC2)CCCCC1 ZINC001198315827 1369007871 /nfs/dbraw/zinc/00/78/71/1369007871.db2.gz KHNFWHFPFXAFSP-UHFFFAOYSA-N 1 2 345.512 3.151 20 30 EGEDLO C#CCC1(C(=O)N2CCC[N@@H+](Cc3ccns3)CC2)CCCCC1 ZINC001198315827 1369007874 /nfs/dbraw/zinc/00/78/74/1369007874.db2.gz KHNFWHFPFXAFSP-UHFFFAOYSA-N 1 2 345.512 3.151 20 30 EGEDLO C#CCCCC(=O)N1CC[NH+]([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC001112808384 1369019951 /nfs/dbraw/zinc/01/99/51/1369019951.db2.gz BFLZHIQOEMQQOA-GOSISDBHSA-N 1 2 330.859 3.275 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)c1ccoc1C)c1ccccc1OC ZINC001198522149 1369051414 /nfs/dbraw/zinc/05/14/14/1369051414.db2.gz HSZPDXBBDCOLLG-INIZCTEOSA-N 1 2 348.830 3.410 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)[C@]12C[C@H]1CCC2)c1ccccc1OC ZINC001198806377 1369119411 /nfs/dbraw/zinc/11/94/11/1369119411.db2.gz VUOQYURMWBWLSF-IDHHARJASA-N 1 2 348.874 3.385 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@]12C[C@H]1CCC2)c1ccccc1OC ZINC001198806378 1369119452 /nfs/dbraw/zinc/11/94/52/1369119452.db2.gz VUOQYURMWBWLSF-SIXWZSSISA-N 1 2 348.874 3.385 20 30 EGEDLO Cc1cc(N[C@@H](C)[C@@H](C)NC(=O)C#CC(C)(C)C)nc(C(C)C)[nH+]1 ZINC001113003675 1369131201 /nfs/dbraw/zinc/13/12/01/1369131201.db2.gz FKZFYUXXEQNAFB-LSDHHAIUSA-N 1 2 330.476 3.263 20 30 EGEDLO CC(C)(CC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1)CC(F)F ZINC001113129243 1369219846 /nfs/dbraw/zinc/21/98/46/1369219846.db2.gz XRDTYIGBMVSIIJ-UHFFFAOYSA-N 1 2 349.425 3.274 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC001113162013 1369236189 /nfs/dbraw/zinc/23/61/89/1369236189.db2.gz RQRZSTJPMMPFGA-HXUWFJFHSA-N 1 2 348.462 3.029 20 30 EGEDLO C#CCCCCCC(=O)N1CC[NH+](CCCCC(F)(F)F)CC1 ZINC001113205334 1369261215 /nfs/dbraw/zinc/26/12/15/1369261215.db2.gz QXAMYWAZJHBBFQ-UHFFFAOYSA-N 1 2 332.410 3.447 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[NH+](CCO[C@H]2CCCC[C@H]2C)CC1 ZINC001113390907 1369391893 /nfs/dbraw/zinc/39/18/93/1369391893.db2.gz ZQIWXFBBMQSRRX-MSOLQXFVSA-N 1 2 336.520 3.328 20 30 EGEDLO C=CC1(CC(=O)N2CC[NH+](CCOCC(C)C)CC2)CCCCC1 ZINC001113428292 1369420776 /nfs/dbraw/zinc/42/07/76/1369420776.db2.gz ORENAYCZROSYMQ-UHFFFAOYSA-N 1 2 336.520 3.330 20 30 EGEDLO C=CC1(CC(=O)N2CC[NH+](CCOCC3CC3)CC2)CCCCC1 ZINC001113429219 1369421503 /nfs/dbraw/zinc/42/15/03/1369421503.db2.gz QBLGLMALSDYXFT-UHFFFAOYSA-N 1 2 334.504 3.084 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3csc(C)c3)CC2)CCOCC1 ZINC001113593546 1369505878 /nfs/dbraw/zinc/50/58/78/1369505878.db2.gz HOKCFUJYKATOBL-UHFFFAOYSA-N 1 2 348.512 3.074 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](CCOCC3CCC3)CC2)CCCCC1 ZINC001113670354 1369557062 /nfs/dbraw/zinc/55/70/62/1369557062.db2.gz DVLAWLHADYDVDO-UHFFFAOYSA-N 1 2 348.531 3.474 20 30 EGEDLO CCC[C@@H](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114013958 1369685101 /nfs/dbraw/zinc/68/51/01/1369685101.db2.gz GBBWTRQVDNRJNW-ULLKRIBWSA-N 1 2 343.446 3.070 20 30 EGEDLO CCC[C@@H](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114013958 1369685105 /nfs/dbraw/zinc/68/51/05/1369685105.db2.gz GBBWTRQVDNRJNW-ULLKRIBWSA-N 1 2 343.446 3.070 20 30 EGEDLO C#CCCCC(=O)NC[C@H]1CCCCCN1c1nc(C)[nH+]c(C)c1C ZINC001114357209 1369910789 /nfs/dbraw/zinc/91/07/89/1369910789.db2.gz XRHMKQXBKWGELG-GOSISDBHSA-N 1 2 342.487 3.071 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001114485095 1369972473 /nfs/dbraw/zinc/97/24/73/1369972473.db2.gz SWSKORRHXMPNHJ-MRXNPFEDSA-N 1 2 344.503 3.335 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC001114726951 1370049244 /nfs/dbraw/zinc/04/92/44/1370049244.db2.gz RUWMUZXUBLDHMG-BWUSGFMJSA-N 1 2 345.512 3.169 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC001114726951 1370049247 /nfs/dbraw/zinc/04/92/47/1370049247.db2.gz RUWMUZXUBLDHMG-BWUSGFMJSA-N 1 2 345.512 3.169 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N[C@H]1C[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001114806868 1370090093 /nfs/dbraw/zinc/09/00/93/1370090093.db2.gz GYQSPRDXKJPRCP-GUSZCTEKSA-N 1 2 342.487 3.427 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@@H]([NH2+]CC(F)(F)C(F)F)C23CCC3)C1 ZINC001203376637 1370105911 /nfs/dbraw/zinc/10/59/11/1370105911.db2.gz XVXOZZDEFGNTOF-NEPJUHHUSA-N 1 2 348.384 3.260 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(C(C)(C)C)on3)C[C@H]21 ZINC001114898878 1370137011 /nfs/dbraw/zinc/13/70/11/1370137011.db2.gz IHMZEYWBFAOTIS-QLPKVWCKSA-N 1 2 345.487 3.121 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(C(C)(C)C)on3)C[C@H]21 ZINC001114898878 1370137013 /nfs/dbraw/zinc/13/70/13/1370137013.db2.gz IHMZEYWBFAOTIS-QLPKVWCKSA-N 1 2 345.487 3.121 20 30 EGEDLO C#CCCCC(=O)N[C@H](C)CCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001114918022 1370148885 /nfs/dbraw/zinc/14/88/85/1370148885.db2.gz SDFODVKFPCCGLP-OAHLLOKOSA-N 1 2 330.476 3.409 20 30 EGEDLO Cc1cc(NCCC[C@H](C)NC(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001114923888 1370153043 /nfs/dbraw/zinc/15/30/43/1370153043.db2.gz JWWJGJBCUVUBFQ-AWEZNQCLSA-N 1 2 328.460 3.019 20 30 EGEDLO C=CCCC(=O)N1CCC(N(C)c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001115133270 1370300652 /nfs/dbraw/zinc/30/06/52/1370300652.db2.gz FXPKLOOTBSLDTC-UHFFFAOYSA-N 1 2 330.476 3.302 20 30 EGEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cccc(F)c3F)C2)CC1 ZINC001204193580 1370403659 /nfs/dbraw/zinc/40/36/59/1370403659.db2.gz OKVNHXGAHGBPMR-UHFFFAOYSA-N 1 2 336.382 3.185 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2Cc3nn(CC)cc3[C@@H](COC)C2)cc1 ZINC001204299607 1370436004 /nfs/dbraw/zinc/43/60/04/1370436004.db2.gz CPZGPJQHFVLRFG-QGZVFWFLSA-N 1 2 341.455 3.214 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2Cc3nn(CC)cc3[C@@H](COC)C2)cc1 ZINC001204299607 1370436005 /nfs/dbraw/zinc/43/60/05/1370436005.db2.gz CPZGPJQHFVLRFG-QGZVFWFLSA-N 1 2 341.455 3.214 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(F)c(F)c(F)c1)C2 ZINC001204527200 1370504957 /nfs/dbraw/zinc/50/49/57/1370504957.db2.gz RXUVABOABKMPLD-KDOFPFPSSA-N 1 2 341.373 3.430 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(F)c(F)c(F)c1)C2 ZINC001204527200 1370504958 /nfs/dbraw/zinc/50/49/58/1370504958.db2.gz RXUVABOABKMPLD-KDOFPFPSSA-N 1 2 341.373 3.430 20 30 EGEDLO C=CCCCC(=O)NCC1([NH2+]Cc2noc(C3CC3)n2)CCCCC1 ZINC001115701523 1370682510 /nfs/dbraw/zinc/68/25/10/1370682510.db2.gz SECXRFFKZIKYDV-UHFFFAOYSA-N 1 2 346.475 3.212 20 30 EGEDLO CCCCCCCCCC(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001187367403 1388099769 /nfs/dbraw/zinc/09/97/69/1388099769.db2.gz OVKBAQVCUVLBDG-OAHLLOKOSA-N 1 2 338.521 3.369 20 30 EGEDLO CC/C=C(/C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206356114 1371030920 /nfs/dbraw/zinc/03/09/20/1371030920.db2.gz HSJQPDWSFWTYBE-FCSMGOPFSA-N 1 2 344.886 3.484 20 30 EGEDLO CC/C=C(/C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206356114 1371030923 /nfs/dbraw/zinc/03/09/23/1371030923.db2.gz HSJQPDWSFWTYBE-FCSMGOPFSA-N 1 2 344.886 3.484 20 30 EGEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1cc(F)c(C#N)c(F)c1 ZINC001206520411 1371082409 /nfs/dbraw/zinc/08/24/09/1371082409.db2.gz PMWKJAPGEFWNRE-UHFFFAOYSA-N 1 2 344.361 3.344 20 30 EGEDLO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3c(F)cncc3F)C2)c1 ZINC001206861937 1371192733 /nfs/dbraw/zinc/19/27/33/1371192733.db2.gz CIPWDZQKCHRQTL-OAHLLOKOSA-N 1 2 329.350 3.275 20 30 EGEDLO N#Cc1cccc(O[C@@H]2CCC[N@H+](Cc3c(F)cncc3F)C2)c1 ZINC001206861937 1371192737 /nfs/dbraw/zinc/19/27/37/1371192737.db2.gz CIPWDZQKCHRQTL-OAHLLOKOSA-N 1 2 329.350 3.275 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3c(F)cncc3F)C2)cc1 ZINC001206861475 1371193340 /nfs/dbraw/zinc/19/33/40/1371193340.db2.gz JYKDVIVMRGLDGI-OAHLLOKOSA-N 1 2 329.350 3.275 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CCC[N@H+](Cc3c(F)cncc3F)C2)cc1 ZINC001206861475 1371193344 /nfs/dbraw/zinc/19/33/44/1371193344.db2.gz JYKDVIVMRGLDGI-OAHLLOKOSA-N 1 2 329.350 3.275 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001187591810 1388128790 /nfs/dbraw/zinc/12/87/90/1388128790.db2.gz UTKUIEPLACALEY-FBLKXBDISA-N 1 2 329.271 3.032 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001187591810 1388128792 /nfs/dbraw/zinc/12/87/92/1388128792.db2.gz UTKUIEPLACALEY-FBLKXBDISA-N 1 2 329.271 3.032 20 30 EGEDLO CC[C@@H](CO)Nc1cc(N[C@H](CCC#N)c2ccccc2)nc[nH+]1 ZINC001120033697 1371463873 /nfs/dbraw/zinc/46/38/73/1371463873.db2.gz QXEWUPBZPODQCJ-JKSUJKDBSA-N 1 2 325.416 3.116 20 30 EGEDLO CC[C@@H](CO)Nc1cc(N[C@H](CCC#N)c2ccccc2)[nH+]cn1 ZINC001120033697 1371463876 /nfs/dbraw/zinc/46/38/76/1371463876.db2.gz QXEWUPBZPODQCJ-JKSUJKDBSA-N 1 2 325.416 3.116 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)C(C)(C)C ZINC001207713328 1371483035 /nfs/dbraw/zinc/48/30/35/1371483035.db2.gz OIXTXOFMXYRSKA-QWQRMKEZSA-N 1 2 345.462 3.316 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)C(C)(C)C ZINC001207713328 1371483037 /nfs/dbraw/zinc/48/30/37/1371483037.db2.gz OIXTXOFMXYRSKA-QWQRMKEZSA-N 1 2 345.462 3.316 20 30 EGEDLO N#Cc1ccc([C@H](O)C[NH2+][C@@H](CCc2ccccc2)C(F)F)cc1 ZINC001120508334 1371594580 /nfs/dbraw/zinc/59/45/80/1371594580.db2.gz OQGBCTNBFKRHLI-ZWKOTPCHSA-N 1 2 330.378 3.448 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C(C)C)o2)C1 ZINC001208193538 1371632731 /nfs/dbraw/zinc/63/27/31/1371632731.db2.gz HLBCHQUVXOCBCY-INIZCTEOSA-N 1 2 346.475 3.042 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2nc(C(C)C)no2)C1 ZINC001208260815 1371688736 /nfs/dbraw/zinc/68/87/36/1371688736.db2.gz FZWMFCSAHMKGPH-LSDHHAIUSA-N 1 2 334.464 3.191 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ncc(C(C)C)o2)C[C@H]1C ZINC001208321054 1371716076 /nfs/dbraw/zinc/71/60/76/1371716076.db2.gz KLVPICYNJQFOKC-IAGOWNOFSA-N 1 2 345.487 3.318 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C(C)C)o2)C[C@H]1C ZINC001208321054 1371716078 /nfs/dbraw/zinc/71/60/78/1371716078.db2.gz KLVPICYNJQFOKC-IAGOWNOFSA-N 1 2 345.487 3.318 20 30 EGEDLO C=C/C(C)=C/CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208350785 1371729774 /nfs/dbraw/zinc/72/97/74/1371729774.db2.gz PSFYCHARYOBXHB-UPCCBTDXSA-N 1 2 341.430 3.156 20 30 EGEDLO C=C/C(C)=C/CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208350785 1371729781 /nfs/dbraw/zinc/72/97/81/1371729781.db2.gz PSFYCHARYOBXHB-UPCCBTDXSA-N 1 2 341.430 3.156 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(CCC)CCC2)C1 ZINC001208368885 1371738857 /nfs/dbraw/zinc/73/88/57/1371738857.db2.gz PIUXAQKLNLEKSE-TZMCWYRMSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(CCC)CCC2)C1 ZINC001208368885 1371738867 /nfs/dbraw/zinc/73/88/67/1371738867.db2.gz PIUXAQKLNLEKSE-TZMCWYRMSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001208387703 1371747605 /nfs/dbraw/zinc/74/76/05/1371747605.db2.gz AHQBQUXKRPGJFH-IIAWOOMASA-N 1 2 335.879 3.274 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001208387703 1371747609 /nfs/dbraw/zinc/74/76/09/1371747609.db2.gz AHQBQUXKRPGJFH-IIAWOOMASA-N 1 2 335.879 3.274 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001208392993 1371750222 /nfs/dbraw/zinc/75/02/22/1371750222.db2.gz ICDWRLKCPFLVOP-MBNYWOFBSA-N 1 2 341.908 3.335 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001208392993 1371750229 /nfs/dbraw/zinc/75/02/29/1371750229.db2.gz ICDWRLKCPFLVOP-MBNYWOFBSA-N 1 2 341.908 3.335 20 30 EGEDLO CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208464537 1371776926 /nfs/dbraw/zinc/77/69/26/1371776926.db2.gz DLWHLXNWVPJYHA-CXAGYDPISA-N 1 2 331.435 3.070 20 30 EGEDLO CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208464537 1371776938 /nfs/dbraw/zinc/77/69/38/1371776938.db2.gz DLWHLXNWVPJYHA-CXAGYDPISA-N 1 2 331.435 3.070 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccncc2Cl)C[C@H]1C ZINC001208964113 1371965203 /nfs/dbraw/zinc/96/52/03/1371965203.db2.gz SQTJBIMDXUMHMU-CZUORRHYSA-N 1 2 335.879 3.274 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccncc2Cl)C[C@H]1C ZINC001208964113 1371965206 /nfs/dbraw/zinc/96/52/06/1371965206.db2.gz SQTJBIMDXUMHMU-CZUORRHYSA-N 1 2 335.879 3.274 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1scnc1C ZINC001121612997 1372025326 /nfs/dbraw/zinc/02/53/26/1372025326.db2.gz SCXDGUUDOQYYKM-AWEZNQCLSA-N 1 2 346.504 3.022 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)Cc1scnc1C ZINC001121612997 1372025329 /nfs/dbraw/zinc/02/53/29/1372025329.db2.gz SCXDGUUDOQYYKM-AWEZNQCLSA-N 1 2 346.504 3.022 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2nc(C3CCC3)no2)C1 ZINC001209183538 1372028362 /nfs/dbraw/zinc/02/83/62/1372028362.db2.gz NZTGWXWWIONLHA-HOCLYGCPSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC001209184123 1372028413 /nfs/dbraw/zinc/02/84/13/1372028413.db2.gz QUFUCVKTTOUNAZ-LSDHHAIUSA-N 1 2 348.491 3.050 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2nc(C3CCC3)no2)C1 ZINC001209183564 1372028611 /nfs/dbraw/zinc/02/86/11/1372028611.db2.gz OPYUKDSNQHBKCT-GDBMZVCRSA-N 1 2 346.475 3.020 20 30 EGEDLO CC(C)(C)C#CC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(F)c3F)C[C@H]21 ZINC001187833407 1388173902 /nfs/dbraw/zinc/17/39/02/1388173902.db2.gz OAFOQMGSAITCII-WMLDXEAASA-N 1 2 346.421 3.047 20 30 EGEDLO CC(C)(C)C#CC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(F)c3F)C[C@H]21 ZINC001187833407 1388173904 /nfs/dbraw/zinc/17/39/04/1388173904.db2.gz OAFOQMGSAITCII-WMLDXEAASA-N 1 2 346.421 3.047 20 30 EGEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H](C)C[C@H]1C ZINC001121711987 1372055832 /nfs/dbraw/zinc/05/58/32/1372055832.db2.gz IBASEEUXBIYWRL-HZPDHXFCSA-N 1 2 344.507 3.016 20 30 EGEDLO C=CCC[C@H]1CCCN1c1nnc([C@H]2CCCC[N@@H+]2C)n1CCOC ZINC001122210387 1372202014 /nfs/dbraw/zinc/20/20/14/1372202014.db2.gz JVXFBXVAFJNCAF-DLBZAZTESA-N 1 2 347.507 3.016 20 30 EGEDLO C=CCC[C@H]1CCCN1c1nnc([C@H]2CCCC[N@H+]2C)n1CCOC ZINC001122210387 1372202020 /nfs/dbraw/zinc/20/20/20/1372202020.db2.gz JVXFBXVAFJNCAF-DLBZAZTESA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001122440740 1372248357 /nfs/dbraw/zinc/24/83/57/1372248357.db2.gz JWWQDJRIXZDOCP-SJORKVTESA-N 1 2 329.492 3.413 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001122440740 1372248365 /nfs/dbraw/zinc/24/83/65/1372248365.db2.gz JWWQDJRIXZDOCP-SJORKVTESA-N 1 2 329.492 3.413 20 30 EGEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCSC(C)(C)C1 ZINC001122537544 1372268926 /nfs/dbraw/zinc/26/89/26/1372268926.db2.gz XBEIGQHMINHUQM-UHFFFAOYSA-N 1 2 349.548 3.172 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H](OC(C)C)C1 ZINC001122622899 1372285774 /nfs/dbraw/zinc/28/57/74/1372285774.db2.gz KULHWYRJJZBDLG-SJORKVTESA-N 1 2 347.507 3.015 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H](OC(C)C)C1 ZINC001122622899 1372285778 /nfs/dbraw/zinc/28/57/78/1372285778.db2.gz KULHWYRJJZBDLG-SJORKVTESA-N 1 2 347.507 3.015 20 30 EGEDLO Cc1cc(C#N)cc(Nc2cc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c(C)n2)c1 ZINC001210388116 1372340160 /nfs/dbraw/zinc/34/01/60/1372340160.db2.gz GBMAHIHQHDGRAR-OKILXGFUSA-N 1 2 337.427 3.322 20 30 EGEDLO Cc1cc(C#N)cc(Nc2cc(N3C[C@@H](C)O[C@@H](C)C3)nc(C)[nH+]2)c1 ZINC001210388116 1372340165 /nfs/dbraw/zinc/34/01/65/1372340165.db2.gz GBMAHIHQHDGRAR-OKILXGFUSA-N 1 2 337.427 3.322 20 30 EGEDLO C#CCCCC(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)[C@H]1C ZINC001122977854 1372353125 /nfs/dbraw/zinc/35/31/25/1372353125.db2.gz OIOGMTGRHHLBMB-CVEARBPZSA-N 1 2 328.460 3.113 20 30 EGEDLO Cc1cc(N[C@@H]2CCN(C(=O)C#CC(C)(C)C)[C@H]2C)nc(C(C)C)[nH+]1 ZINC001122977886 1372353346 /nfs/dbraw/zinc/35/33/46/1372353346.db2.gz OUQCQIQNQRROBJ-JKSUJKDBSA-N 1 2 342.487 3.359 20 30 EGEDLO N#Cc1cc(Nc2cc(Br)cn3cc[nH+]c23)ccc1O ZINC001210526692 1372371993 /nfs/dbraw/zinc/37/19/93/1372371993.db2.gz COKQZXXQEUVHJL-UHFFFAOYSA-N 1 2 329.157 3.418 20 30 EGEDLO C#CCCCC(=O)N1C[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001123225004 1372401093 /nfs/dbraw/zinc/40/10/93/1372401093.db2.gz UVSDQNMKBFCOOB-CVEARBPZSA-N 1 2 328.460 3.113 20 30 EGEDLO C=CCCCC(=O)N1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C[C@@H]1C ZINC001123309011 1372421151 /nfs/dbraw/zinc/42/11/51/1372421151.db2.gz JELWIPGCSIKNQM-GOEBONIOSA-N 1 2 328.460 3.420 20 30 EGEDLO C=CCc1cc(C(=O)OCc2c[nH+]cn2CC)cc(OC)c1OC ZINC001123378125 1372447834 /nfs/dbraw/zinc/44/78/34/1372447834.db2.gz KOYIGVUDAOCVJT-UHFFFAOYSA-N 1 2 330.384 3.006 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)[C@H]1C ZINC001123636768 1372534371 /nfs/dbraw/zinc/53/43/71/1372534371.db2.gz OZFZCRMWZTVFMY-DOTOQJQBSA-N 1 2 342.487 3.492 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@H]1C ZINC001123636433 1372534493 /nfs/dbraw/zinc/53/44/93/1372534493.db2.gz MNEDKEXSKQCEDX-DOTOQJQBSA-N 1 2 330.476 3.232 20 30 EGEDLO C#CCCCC(=O)N1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C(C)(C)C1 ZINC001123946353 1372634706 /nfs/dbraw/zinc/63/47/06/1372634706.db2.gz HTIGXHCXUPKBES-MRXNPFEDSA-N 1 2 340.471 3.115 20 30 EGEDLO N#Cc1ccc(Nc2ccc[nH+]c2N2CCOCC2)c2cccnc12 ZINC001212368673 1372695795 /nfs/dbraw/zinc/69/57/95/1372695795.db2.gz JHXWKLXGTJWKIK-UHFFFAOYSA-N 1 2 331.379 3.082 20 30 EGEDLO Cc1c(Cl)c(C#N)ccc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212671198 1372750207 /nfs/dbraw/zinc/75/02/07/1372750207.db2.gz GKKIHFXNFYUQGE-UHFFFAOYSA-N 1 2 327.815 3.440 20 30 EGEDLO CCCCCCCCCCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1OC ZINC001213771306 1372959529 /nfs/dbraw/zinc/95/95/29/1372959529.db2.gz ZSEWUIZCMSKMSY-IAGOWNOFSA-N 1 2 330.488 3.302 20 30 EGEDLO CCCCCCCCCCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1OC ZINC001213771306 1372959535 /nfs/dbraw/zinc/95/95/35/1372959535.db2.gz ZSEWUIZCMSKMSY-IAGOWNOFSA-N 1 2 330.488 3.302 20 30 EGEDLO C=CCCCC(=O)N(CC)[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001126817475 1373033542 /nfs/dbraw/zinc/03/35/42/1373033542.db2.gz AQFSCAHYEAMUJQ-QGZVFWFLSA-N 1 2 330.476 3.349 20 30 EGEDLO N#Cc1ccc(F)c(Nc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC001214598122 1373087720 /nfs/dbraw/zinc/08/77/20/1373087720.db2.gz ANAFBJRBHWNQCM-UHFFFAOYSA-N 1 2 341.386 3.152 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)CCC3CC3)c2C1 ZINC001128277476 1373245188 /nfs/dbraw/zinc/24/51/88/1373245188.db2.gz GWRBESXWOSGHRE-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)CCC3CC3)c2C1 ZINC001128277476 1373245190 /nfs/dbraw/zinc/24/51/90/1373245190.db2.gz GWRBESXWOSGHRE-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)C=C3CCC3)c2C1 ZINC001128302200 1373248914 /nfs/dbraw/zinc/24/89/14/1373248914.db2.gz ZMRBMDIUPPTXOB-UHFFFAOYSA-N 1 2 344.503 3.396 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)C=C3CCC3)c2C1 ZINC001128302200 1373248916 /nfs/dbraw/zinc/24/89/16/1373248916.db2.gz ZMRBMDIUPPTXOB-UHFFFAOYSA-N 1 2 344.503 3.396 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)/C=C/C(C)(C)C)C[C@H](C)O2 ZINC001131645545 1373741606 /nfs/dbraw/zinc/74/16/06/1373741606.db2.gz GWMLTXUCJWLIRE-MLCBILRFSA-N 1 2 340.895 3.033 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)/C=C/C(C)(C)C)C[C@H](C)O2 ZINC001131645545 1373741610 /nfs/dbraw/zinc/74/16/10/1373741610.db2.gz GWMLTXUCJWLIRE-MLCBILRFSA-N 1 2 340.895 3.033 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)C(C)(C)CCC)C[C@@H](C)O2 ZINC001131682561 1373761752 /nfs/dbraw/zinc/76/17/52/1373761752.db2.gz QEUPLKCTRTWZLE-QAPCUYQASA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C(C)(C)CCC)C[C@@H](C)O2 ZINC001131682561 1373761754 /nfs/dbraw/zinc/76/17/54/1373761754.db2.gz QEUPLKCTRTWZLE-QAPCUYQASA-N 1 2 342.911 3.257 20 30 EGEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)c3ccc(F)cc3F)C[C@H]21 ZINC001221530332 1373777406 /nfs/dbraw/zinc/77/74/06/1373777406.db2.gz GQFMXDODMQXBAF-QMTMVMCOSA-N 1 2 346.421 3.218 20 30 EGEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)c3ccc(F)cc3F)C[C@H]21 ZINC001221530332 1373777409 /nfs/dbraw/zinc/77/74/09/1373777409.db2.gz GQFMXDODMQXBAF-QMTMVMCOSA-N 1 2 346.421 3.218 20 30 EGEDLO CC(C)SCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001131860966 1373847016 /nfs/dbraw/zinc/84/70/16/1373847016.db2.gz FJRMKHMUAZPKCW-YJBOKZPZSA-N 1 2 345.512 3.169 20 30 EGEDLO CC(C)SCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001131860966 1373847020 /nfs/dbraw/zinc/84/70/20/1373847020.db2.gz FJRMKHMUAZPKCW-YJBOKZPZSA-N 1 2 345.512 3.169 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3nc(CC)no3)C2)CCCC1 ZINC001188483194 1388316790 /nfs/dbraw/zinc/31/67/90/1388316790.db2.gz NXJDLKZIXYNJJQ-HUUCEWRRSA-N 1 2 346.475 3.020 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001131961464 1375072551 /nfs/dbraw/zinc/07/25/51/1375072551.db2.gz VMCFWMYXSOVZPR-BBRMVZONSA-N 1 2 347.409 3.430 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001131961464 1375072557 /nfs/dbraw/zinc/07/25/57/1375072557.db2.gz VMCFWMYXSOVZPR-BBRMVZONSA-N 1 2 347.409 3.430 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=C)Br)C1 ZINC001131972875 1375078545 /nfs/dbraw/zinc/07/85/45/1375078545.db2.gz VQVBQPVVHOWLPP-GJZGRUSLSA-N 1 2 341.293 3.058 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=C)Br)C1 ZINC001131972875 1375078551 /nfs/dbraw/zinc/07/85/51/1375078551.db2.gz VQVBQPVVHOWLPP-GJZGRUSLSA-N 1 2 341.293 3.058 20 30 EGEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(C(F)(F)F)ccc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225324789 1375104138 /nfs/dbraw/zinc/10/41/38/1375104138.db2.gz ROOJZWFBXFPUOC-LSVRBPJHSA-N 1 2 333.737 3.350 20 30 EGEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(C(F)(F)F)ccc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225324789 1375104141 /nfs/dbraw/zinc/10/41/41/1375104141.db2.gz ROOJZWFBXFPUOC-LSVRBPJHSA-N 1 2 333.737 3.350 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1ccc(F)cc1Cl ZINC001132045304 1375114764 /nfs/dbraw/zinc/11/47/64/1375114764.db2.gz DLVZCQBRCRRKSX-DYVFJYSZSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1ccc(F)cc1Cl ZINC001132045304 1375114768 /nfs/dbraw/zinc/11/47/68/1375114768.db2.gz DLVZCQBRCRRKSX-DYVFJYSZSA-N 1 2 348.849 3.362 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(F)cn2)C1 ZINC001132057389 1375122928 /nfs/dbraw/zinc/12/29/28/1375122928.db2.gz OOWIKSYDUAHLEM-BEFAXECRSA-N 1 2 345.462 3.458 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(F)cn2)C1 ZINC001132057389 1375122935 /nfs/dbraw/zinc/12/29/35/1375122935.db2.gz OOWIKSYDUAHLEM-BEFAXECRSA-N 1 2 345.462 3.458 20 30 EGEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(Cl)cc3Br)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225570176 1375125820 /nfs/dbraw/zinc/12/58/20/1375125820.db2.gz VBJWTSDMIDQTKR-LSVRBPJHSA-N 1 2 344.636 3.094 20 30 EGEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(Cl)cc3Br)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225570176 1375125823 /nfs/dbraw/zinc/12/58/23/1375125823.db2.gz VBJWTSDMIDQTKR-LSVRBPJHSA-N 1 2 344.636 3.094 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=C)Br)C1 ZINC001132069044 1375130983 /nfs/dbraw/zinc/13/09/83/1375130983.db2.gz NPVASQIWCJMOJL-KGLIPLIRSA-N 1 2 343.309 3.466 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=C)Br)C1 ZINC001132069044 1375130985 /nfs/dbraw/zinc/13/09/85/1375130985.db2.gz NPVASQIWCJMOJL-KGLIPLIRSA-N 1 2 343.309 3.466 20 30 EGEDLO C#CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3csc(C)n3)C2)CCC1 ZINC001132102717 1375149573 /nfs/dbraw/zinc/14/95/73/1375149573.db2.gz ZVYJEZSSYSFJOT-GOEBONIOSA-N 1 2 345.512 3.114 20 30 EGEDLO C#CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3csc(C)n3)C2)CCC1 ZINC001132102717 1375149574 /nfs/dbraw/zinc/14/95/74/1375149574.db2.gz ZVYJEZSSYSFJOT-GOEBONIOSA-N 1 2 345.512 3.114 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)CC2(C)CC2)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC001132191227 1375198820 /nfs/dbraw/zinc/19/88/20/1375198820.db2.gz RPGHBRCISJKZTM-KBXCAEBGSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)CC2(C)CC2)C[N@H+]1Cc1cc(F)ccc1C#N ZINC001132191227 1375198823 /nfs/dbraw/zinc/19/88/23/1375198823.db2.gz RPGHBRCISJKZTM-KBXCAEBGSA-N 1 2 343.446 3.357 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ncoc2C(C)C)C1 ZINC001132217701 1375214365 /nfs/dbraw/zinc/21/43/65/1375214365.db2.gz GAWKHMJPBJPFLO-CABCVRRESA-N 1 2 333.476 3.479 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001132217701 1375214368 /nfs/dbraw/zinc/21/43/68/1375214368.db2.gz GAWKHMJPBJPFLO-CABCVRRESA-N 1 2 333.476 3.479 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccncc2Cl)C1 ZINC001132219097 1375218511 /nfs/dbraw/zinc/21/85/11/1375218511.db2.gz ZUEXFRMYKFAVEK-DZGCQCFKSA-N 1 2 335.879 3.416 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccncc2Cl)C1 ZINC001132219097 1375218514 /nfs/dbraw/zinc/21/85/14/1375218514.db2.gz ZUEXFRMYKFAVEK-DZGCQCFKSA-N 1 2 335.879 3.416 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001132236151 1375232033 /nfs/dbraw/zinc/23/20/33/1375232033.db2.gz ZANIGEVCCKJAKS-WBVHZDCISA-N 1 2 347.890 3.398 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001132236151 1375232035 /nfs/dbraw/zinc/23/20/35/1375232035.db2.gz ZANIGEVCCKJAKS-WBVHZDCISA-N 1 2 347.890 3.398 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3nocc3C)C2)CCC1 ZINC001132281449 1375263540 /nfs/dbraw/zinc/26/35/40/1375263540.db2.gz CERWFHBGVHGZKK-CVEARBPZSA-N 1 2 331.460 3.199 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3nocc3C)C2)CCC1 ZINC001132281449 1375263542 /nfs/dbraw/zinc/26/35/42/1375263542.db2.gz CERWFHBGVHGZKK-CVEARBPZSA-N 1 2 331.460 3.199 20 30 EGEDLO C=CCCC(=O)NC1CC[NH+](Cc2csc(C(C)(C)C)n2)CC1 ZINC001226519478 1375273749 /nfs/dbraw/zinc/27/37/49/1375273749.db2.gz YIJLCRYCGBJRQP-UHFFFAOYSA-N 1 2 335.517 3.487 20 30 EGEDLO C#C[C@H](CC(C)C)Oc1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001226565516 1375283591 /nfs/dbraw/zinc/28/35/91/1375283591.db2.gz PWAVRNLCRLUNII-GOSISDBHSA-N 1 2 335.451 3.462 20 30 EGEDLO C#C[C@H](CC(C)C)Oc1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001226565516 1375283592 /nfs/dbraw/zinc/28/35/92/1375283592.db2.gz PWAVRNLCRLUNII-GOSISDBHSA-N 1 2 335.451 3.462 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCc2csc(C)n2)CC[C@H]1C ZINC001132339531 1375318106 /nfs/dbraw/zinc/31/81/06/1375318106.db2.gz HIJSUWXUMOYUAL-TZMCWYRMSA-N 1 2 341.908 3.106 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCc2csc(C)n2)CC[C@H]1C ZINC001132339531 1375318114 /nfs/dbraw/zinc/31/81/14/1375318114.db2.gz HIJSUWXUMOYUAL-TZMCWYRMSA-N 1 2 341.908 3.106 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC001227528066 1375441235 /nfs/dbraw/zinc/44/12/35/1375441235.db2.gz SXLCCTGKZWHMFU-UHFFFAOYSA-N 1 2 327.881 3.002 20 30 EGEDLO O=C(CCCF)NC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC001228685816 1375639686 /nfs/dbraw/zinc/63/96/86/1375639686.db2.gz DSDCGZCTRJLCFT-UHFFFAOYSA-N 1 2 336.838 3.022 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC1CC[NH+](Cc2ncc(C(C)C)o2)CC1 ZINC001228795527 1375680322 /nfs/dbraw/zinc/68/03/22/1375680322.db2.gz YJSZSBQPCLOFFO-OAHLLOKOSA-N 1 2 333.476 3.481 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC1CC[NH+]([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC001228809006 1375684097 /nfs/dbraw/zinc/68/40/97/1375684097.db2.gz CPKORBIALPCRGN-GJZGRUSLSA-N 1 2 348.491 3.437 20 30 EGEDLO C=CCCCC(=O)NC1CC[NH+]([C@@H](C)c2nnc(CC(C)C)o2)CC1 ZINC001228912542 1375712145 /nfs/dbraw/zinc/71/21/45/1375712145.db2.gz QSAMATMJUJMACP-HNNXBMFYSA-N 1 2 348.491 3.266 20 30 EGEDLO C=CCCCC(=O)NC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC001228927697 1375718466 /nfs/dbraw/zinc/71/84/66/1375718466.db2.gz JJBJDWUZBCVIPU-UHFFFAOYSA-N 1 2 327.881 3.233 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H](C)[C@@H](C)CC)CC1 ZINC001229776786 1375893291 /nfs/dbraw/zinc/89/32/91/1375893291.db2.gz VLRUDTUBTINSBG-WCQYABFASA-N 1 2 331.298 3.158 20 30 EGEDLO CC(C)C[C@@H](C)OCCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230569374 1376081354 /nfs/dbraw/zinc/08/13/54/1376081354.db2.gz KYJRBNLQLGXQAF-MJGOQNOKSA-N 1 2 349.519 3.054 20 30 EGEDLO CC(C)C[C@@H](C)OCCC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001230569374 1376081366 /nfs/dbraw/zinc/08/13/66/1376081366.db2.gz KYJRBNLQLGXQAF-MJGOQNOKSA-N 1 2 349.519 3.054 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1)C(=O)CC1CC1 ZINC001230603479 1376096702 /nfs/dbraw/zinc/09/67/02/1376096702.db2.gz PRLOXBMKRAMEEJ-GOSISDBHSA-N 1 2 330.859 3.024 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1)C(=O)CC1CC1 ZINC001230603479 1376096707 /nfs/dbraw/zinc/09/67/07/1376096707.db2.gz PRLOXBMKRAMEEJ-GOSISDBHSA-N 1 2 330.859 3.024 20 30 EGEDLO C=CCC1(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)CCCC1 ZINC001230627551 1376105960 /nfs/dbraw/zinc/10/59/60/1376105960.db2.gz CJTOMUCLYZTKSE-GOSISDBHSA-N 1 2 329.488 3.349 20 30 EGEDLO C=CCC1(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)CCCC1 ZINC001230627551 1376105963 /nfs/dbraw/zinc/10/59/63/1376105963.db2.gz CJTOMUCLYZTKSE-GOSISDBHSA-N 1 2 329.488 3.349 20 30 EGEDLO C=C(Cl)C[N@H+](CCCNC(=O)CCC1CC1)Cc1cccnc1 ZINC001230720574 1376131696 /nfs/dbraw/zinc/13/16/96/1376131696.db2.gz KQVHJYANZZSPIF-UHFFFAOYSA-N 1 2 335.879 3.333 20 30 EGEDLO C=C(Cl)C[N@@H+](CCCNC(=O)CCC1CC1)Cc1cccnc1 ZINC001230720574 1376131700 /nfs/dbraw/zinc/13/17/00/1376131700.db2.gz KQVHJYANZZSPIF-UHFFFAOYSA-N 1 2 335.879 3.333 20 30 EGEDLO C[C@H](C[C@H](C)NC(=O)CCC(F)(F)F)[NH2+]CC(F)(F)C(F)F ZINC001134004664 1376306979 /nfs/dbraw/zinc/30/69/79/1376306979.db2.gz SDXRSDONZLEYLU-SFYZADRCSA-N 1 2 340.283 3.102 20 30 EGEDLO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cccc(Cl)c3O)C2)C1=O ZINC001231910215 1376347608 /nfs/dbraw/zinc/34/76/08/1376347608.db2.gz LBNFOHVPPLUENM-GOSISDBHSA-N 1 2 334.847 3.046 20 30 EGEDLO C=CCN1CC[C@@]2(CCC[N@H+](Cc3cccc(Cl)c3O)C2)C1=O ZINC001231910215 1376347628 /nfs/dbraw/zinc/34/76/28/1376347628.db2.gz LBNFOHVPPLUENM-GOSISDBHSA-N 1 2 334.847 3.046 20 30 EGEDLO N#Cc1ccc(O)c(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)c1 ZINC001232680218 1376500218 /nfs/dbraw/zinc/50/02/18/1376500218.db2.gz ZFZQOTCUECUQIW-UHFFFAOYSA-N 1 2 341.842 3.235 20 30 EGEDLO COc1cccc(O[C@@H]2CCC[N@H+](Cc3cc(F)ccc3C#N)C2)n1 ZINC001232892185 1376535246 /nfs/dbraw/zinc/53/52/46/1376535246.db2.gz BPXPJOWQTVAIBH-QGZVFWFLSA-N 1 2 341.386 3.144 20 30 EGEDLO COc1cccc(O[C@@H]2CCC[N@@H+](Cc3cc(F)ccc3C#N)C2)n1 ZINC001232892185 1376535253 /nfs/dbraw/zinc/53/52/53/1376535253.db2.gz BPXPJOWQTVAIBH-QGZVFWFLSA-N 1 2 341.386 3.144 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(F)(F)C(F)F ZINC001134457508 1376548646 /nfs/dbraw/zinc/54/86/46/1376548646.db2.gz PCEAHRGLRRIYJN-GHMZBOCLSA-N 1 2 326.378 3.362 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccc(C)cc1C#N)CCO2 ZINC001232966598 1376550714 /nfs/dbraw/zinc/55/07/14/1376550714.db2.gz SJOPQNMQGNAJAF-NHCUHLMSSA-N 1 2 340.467 3.440 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1ccc(C)cc1C#N)CCO2 ZINC001232966598 1376550716 /nfs/dbraw/zinc/55/07/16/1376550716.db2.gz SJOPQNMQGNAJAF-NHCUHLMSSA-N 1 2 340.467 3.440 20 30 EGEDLO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cncc(Cl)n2)C1 ZINC001233450341 1376649578 /nfs/dbraw/zinc/64/95/78/1376649578.db2.gz PQLSFMMQZIPLRQ-OAHLLOKOSA-N 1 2 328.803 3.045 20 30 EGEDLO N#Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2cncc(Cl)n2)C1 ZINC001233450341 1376649586 /nfs/dbraw/zinc/64/95/86/1376649586.db2.gz PQLSFMMQZIPLRQ-OAHLLOKOSA-N 1 2 328.803 3.045 20 30 EGEDLO C/C=C(/C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC001233549452 1376667580 /nfs/dbraw/zinc/66/75/80/1376667580.db2.gz MQHLUVJYDYEFRU-BXENKHIRSA-N 1 2 330.859 3.190 20 30 EGEDLO C/C=C(/C)C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001233549452 1376667582 /nfs/dbraw/zinc/66/75/82/1376667582.db2.gz MQHLUVJYDYEFRU-BXENKHIRSA-N 1 2 330.859 3.190 20 30 EGEDLO CC(C)CC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccccc2C#N)CC1 ZINC001235191427 1376858374 /nfs/dbraw/zinc/85/83/74/1376858374.db2.gz HMXCIDKOIXHVAK-IBGZPJMESA-N 1 2 339.483 3.417 20 30 EGEDLO CC(C)CC1(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccccc2C#N)CC1 ZINC001235191427 1376858379 /nfs/dbraw/zinc/85/83/79/1376858379.db2.gz HMXCIDKOIXHVAK-IBGZPJMESA-N 1 2 339.483 3.417 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nnsc1Cl ZINC001135181711 1376954785 /nfs/dbraw/zinc/95/47/85/1376954785.db2.gz UIYVJSRZQGTFHF-QWRGUYRKSA-N 1 2 344.912 3.167 20 30 EGEDLO CC/C=C(/C)C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001189178817 1388475214 /nfs/dbraw/zinc/47/52/14/1388475214.db2.gz LKAMTEJTODUYNM-BLCJYSFRSA-N 1 2 329.419 3.086 20 30 EGEDLO CC/C=C(/C)C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001189178817 1388475218 /nfs/dbraw/zinc/47/52/18/1388475218.db2.gz LKAMTEJTODUYNM-BLCJYSFRSA-N 1 2 329.419 3.086 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(=O)CCCC1CC1 ZINC001265650778 1377158722 /nfs/dbraw/zinc/15/87/22/1377158722.db2.gz DNRKFEBMCRJRTH-HNNXBMFYSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H]1CNC(=O)CCCC1CC1 ZINC001265650778 1377158724 /nfs/dbraw/zinc/15/87/24/1377158724.db2.gz DNRKFEBMCRJRTH-HNNXBMFYSA-N 1 2 343.309 3.446 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC001136958263 1377446196 /nfs/dbraw/zinc/44/61/96/1377446196.db2.gz IIURZJHVRXLFAU-ZDUSSCGKSA-N 1 2 331.441 3.173 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC001136958263 1377446198 /nfs/dbraw/zinc/44/61/98/1377446198.db2.gz IIURZJHVRXLFAU-ZDUSSCGKSA-N 1 2 331.441 3.173 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2csc(CCCC)n2)C1 ZINC001189269028 1388502390 /nfs/dbraw/zinc/50/23/90/1388502390.db2.gz FNGCQKSYJWVRFF-INIZCTEOSA-N 1 2 335.517 3.485 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]([N@H+](C)Cc2csc(CCCC)n2)C1 ZINC001189269028 1388502396 /nfs/dbraw/zinc/50/23/96/1388502396.db2.gz FNGCQKSYJWVRFF-INIZCTEOSA-N 1 2 335.517 3.485 20 30 EGEDLO C#CCOc1ccc(C[N@H+](C)Cc2cnc(Cl)s2)cc1OC ZINC001138343264 1377706573 /nfs/dbraw/zinc/70/65/73/1377706573.db2.gz IBCLVZSYYUKQSQ-UHFFFAOYSA-N 1 2 336.844 3.449 20 30 EGEDLO C#CCOc1ccc(C[N@@H+](C)Cc2cnc(Cl)s2)cc1OC ZINC001138343264 1377706576 /nfs/dbraw/zinc/70/65/76/1377706576.db2.gz IBCLVZSYYUKQSQ-UHFFFAOYSA-N 1 2 336.844 3.449 20 30 EGEDLO C#CCOc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC001138556459 1377741622 /nfs/dbraw/zinc/74/16/22/1377741622.db2.gz WJPCKCOLADZSBX-MRXNPFEDSA-N 1 2 344.455 3.140 20 30 EGEDLO C#CCOc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC001138556459 1377741624 /nfs/dbraw/zinc/74/16/24/1377741624.db2.gz WJPCKCOLADZSBX-MRXNPFEDSA-N 1 2 344.455 3.140 20 30 EGEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(-c3ccsc3)nc2)CC1 ZINC001139503020 1377894834 /nfs/dbraw/zinc/89/48/34/1377894834.db2.gz ZYEGRHPBZJYERQ-UHFFFAOYSA-N 1 2 341.436 3.089 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)c1 ZINC001139648109 1377925223 /nfs/dbraw/zinc/92/52/23/1377925223.db2.gz XVTXGRWARCNTMZ-DLBZAZTESA-N 1 2 341.411 3.139 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)c1 ZINC001139648109 1377925225 /nfs/dbraw/zinc/92/52/25/1377925225.db2.gz XVTXGRWARCNTMZ-DLBZAZTESA-N 1 2 341.411 3.139 20 30 EGEDLO N#Cc1cc(F)cc(C[N@@H+]2CCCN(C(=O)C3CCCCC3)CC2)c1 ZINC001139876299 1377969451 /nfs/dbraw/zinc/96/94/51/1377969451.db2.gz QPLOJQBBCTWDPG-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO N#Cc1cc(F)cc(C[N@H+]2CCCN(C(=O)C3CCCCC3)CC2)c1 ZINC001139876299 1377969452 /nfs/dbraw/zinc/96/94/52/1377969452.db2.gz QPLOJQBBCTWDPG-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(N2Cc3ccccc3C2=O)CC1 ZINC001141167762 1378258641 /nfs/dbraw/zinc/25/86/41/1378258641.db2.gz ZDFBVVADZFPZGP-UHFFFAOYSA-N 1 2 349.409 3.318 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cccc(OC)c1F)CCO2 ZINC001141221845 1378273897 /nfs/dbraw/zinc/27/38/97/1378273897.db2.gz ZYVRTZFJRMYQFF-YLJYHZDGSA-N 1 2 349.446 3.408 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1cccc(OC)c1F)CCO2 ZINC001141221845 1378273900 /nfs/dbraw/zinc/27/39/00/1378273900.db2.gz ZYVRTZFJRMYQFF-YLJYHZDGSA-N 1 2 349.446 3.408 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CCCC(=O)[C@H]2C1 ZINC001141818798 1378382183 /nfs/dbraw/zinc/38/21/83/1378382183.db2.gz WANRPGFGDYAQPV-WFASDCNBSA-N 1 2 333.229 3.122 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@H+]1C[C@@H]2CCCC(=O)[C@H]2C1 ZINC001141818798 1378382186 /nfs/dbraw/zinc/38/21/86/1378382186.db2.gz WANRPGFGDYAQPV-WFASDCNBSA-N 1 2 333.229 3.122 20 30 EGEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc(I)cs2)CC1 ZINC001141864731 1378387691 /nfs/dbraw/zinc/38/76/91/1378387691.db2.gz NFQNEUBIBICQAX-SNVBAGLBSA-N 1 2 346.237 3.478 20 30 EGEDLO N#C[C@@H]1CCC[N@H+](Cc2cc(I)cs2)CC1 ZINC001141864731 1378387692 /nfs/dbraw/zinc/38/76/92/1378387692.db2.gz NFQNEUBIBICQAX-SNVBAGLBSA-N 1 2 346.237 3.478 20 30 EGEDLO CC(=O)N1CC[N@H+](Cc2ccc(C#Cc3ccccc3)s2)[C@@H](C)C1 ZINC001141977890 1378400578 /nfs/dbraw/zinc/40/05/78/1378400578.db2.gz RGDCECKKGLUGFQ-INIZCTEOSA-N 1 2 338.476 3.201 20 30 EGEDLO CC(=O)N1CC[N@@H+](Cc2ccc(C#Cc3ccccc3)s2)[C@@H](C)C1 ZINC001141977890 1378400579 /nfs/dbraw/zinc/40/05/79/1378400579.db2.gz RGDCECKKGLUGFQ-INIZCTEOSA-N 1 2 338.476 3.201 20 30 EGEDLO N#CCCC(=O)N1CC[NH+]=C1CN(Cc1ccccc1)c1ccccc1 ZINC001143202438 1378557882 /nfs/dbraw/zinc/55/78/82/1378557882.db2.gz DPBLENXNXBETFR-UHFFFAOYSA-N 1 2 346.434 3.238 20 30 EGEDLO CC(C)(C#N)C(=O)NC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001143404139 1378593684 /nfs/dbraw/zinc/59/36/84/1378593684.db2.gz WGCXJEMYAITRBX-UHFFFAOYSA-N 1 2 333.435 3.126 20 30 EGEDLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001143435509 1378596684 /nfs/dbraw/zinc/59/66/84/1378596684.db2.gz DBKJEIGCMVUYCW-LLVKDONJSA-N 1 2 347.230 3.223 20 30 EGEDLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001143435509 1378596688 /nfs/dbraw/zinc/59/66/88/1378596688.db2.gz DBKJEIGCMVUYCW-LLVKDONJSA-N 1 2 347.230 3.223 20 30 EGEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001143716194 1378637826 /nfs/dbraw/zinc/63/78/26/1378637826.db2.gz GVXUPMMJKTVYHI-AWEZNQCLSA-N 1 2 332.753 3.491 20 30 EGEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001143716194 1378637831 /nfs/dbraw/zinc/63/78/31/1378637831.db2.gz GVXUPMMJKTVYHI-AWEZNQCLSA-N 1 2 332.753 3.491 20 30 EGEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001143723451 1378639050 /nfs/dbraw/zinc/63/90/50/1378639050.db2.gz PQIIEKUPCICMEP-LPHOPBHVSA-N 1 2 346.858 3.372 20 30 EGEDLO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001143723451 1378639052 /nfs/dbraw/zinc/63/90/52/1378639052.db2.gz PQIIEKUPCICMEP-LPHOPBHVSA-N 1 2 346.858 3.372 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)CC1 ZINC001143743040 1378640694 /nfs/dbraw/zinc/64/06/94/1378640694.db2.gz PCIGAHRLVPBFHZ-INIZCTEOSA-N 1 2 338.451 3.282 20 30 EGEDLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(OC(F)(F)F)cc2F)C1 ZINC001143781745 1378645362 /nfs/dbraw/zinc/64/53/62/1378645362.db2.gz XURALQPFPFVSHA-NSHDSACASA-N 1 2 347.230 3.223 20 30 EGEDLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2F)C1 ZINC001143781745 1378645371 /nfs/dbraw/zinc/64/53/71/1378645371.db2.gz XURALQPFPFVSHA-NSHDSACASA-N 1 2 347.230 3.223 20 30 EGEDLO C#CCCCCC(=O)N1CC2(C1)CC[N@@H+](C/C(Cl)=C\Cl)C2 ZINC001147374929 1379011046 /nfs/dbraw/zinc/01/10/46/1379011046.db2.gz WIMQKJMBNTYNLE-NTEUORMPSA-N 1 2 329.271 3.033 20 30 EGEDLO C#CCCCCC(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C\Cl)C2 ZINC001147374929 1379011051 /nfs/dbraw/zinc/01/10/51/1379011051.db2.gz WIMQKJMBNTYNLE-NTEUORMPSA-N 1 2 329.271 3.033 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nnc(C)s1)C2 ZINC001147652717 1379055952 /nfs/dbraw/zinc/05/59/52/1379055952.db2.gz QWGPVSQDYVIHDA-ZDUSSCGKSA-N 1 2 348.516 3.044 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nnc(C)s1)C2 ZINC001147652717 1379055953 /nfs/dbraw/zinc/05/59/53/1379055953.db2.gz QWGPVSQDYVIHDA-ZDUSSCGKSA-N 1 2 348.516 3.044 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ccn(C(C)C)n1)C2 ZINC001148129468 1379122094 /nfs/dbraw/zinc/12/20/94/1379122094.db2.gz FLSSHKOHLPTJPA-QGZVFWFLSA-N 1 2 344.503 3.101 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1ccn(C(C)C)n1)C2 ZINC001148129468 1379122100 /nfs/dbraw/zinc/12/21/00/1379122100.db2.gz FLSSHKOHLPTJPA-QGZVFWFLSA-N 1 2 344.503 3.101 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nnc(C)s1)C2 ZINC001148146487 1379124497 /nfs/dbraw/zinc/12/44/97/1379124497.db2.gz DVXOSPGRFPEVJH-KGLIPLIRSA-N 1 2 348.516 3.044 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nnc(C)s1)C2 ZINC001148146487 1379124499 /nfs/dbraw/zinc/12/44/99/1379124499.db2.gz DVXOSPGRFPEVJH-KGLIPLIRSA-N 1 2 348.516 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C)CC(C)(C)C)C1 ZINC001150410339 1379550819 /nfs/dbraw/zinc/55/08/19/1379550819.db2.gz OGYIIPKBMAYBAG-DZGCQCFKSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C)CC(C)(C)C)C1 ZINC001150410339 1379550821 /nfs/dbraw/zinc/55/08/21/1379550821.db2.gz OGYIIPKBMAYBAG-DZGCQCFKSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)CCCC2CCCC2)C1 ZINC001150788916 1379615560 /nfs/dbraw/zinc/61/55/60/1379615560.db2.gz WJVBZTYSJOATSF-KRWDZBQOSA-N 1 2 342.911 3.307 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)CCCC2CCCC2)C1 ZINC001150788916 1379615566 /nfs/dbraw/zinc/61/55/66/1379615566.db2.gz WJVBZTYSJOATSF-KRWDZBQOSA-N 1 2 342.911 3.307 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H](CCCC)C(C)C)C1 ZINC001150796279 1379617068 /nfs/dbraw/zinc/61/70/68/1379617068.db2.gz SPVFSKVZJAJZCB-IAGOWNOFSA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H](CCCC)C(C)C)C1 ZINC001150796279 1379617072 /nfs/dbraw/zinc/61/70/72/1379617072.db2.gz SPVFSKVZJAJZCB-IAGOWNOFSA-N 1 2 344.927 3.408 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H](C)[N@H+](CC)CC=C(Cl)Cl ZINC001152259904 1379895022 /nfs/dbraw/zinc/89/50/22/1379895022.db2.gz RKJIDJWTADZYIF-OLZOCXBDSA-N 1 2 337.291 3.113 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)CC=C(Cl)Cl ZINC001152259904 1379895027 /nfs/dbraw/zinc/89/50/27/1379895027.db2.gz RKJIDJWTADZYIF-OLZOCXBDSA-N 1 2 337.291 3.113 20 30 EGEDLO C=CCCO[C@H](C)C(=O)NC[C@@H](C)[N@H+](CC)CC=C(Cl)Cl ZINC001152259903 1379894729 /nfs/dbraw/zinc/89/47/29/1379894729.db2.gz RKJIDJWTADZYIF-CHWSQXEVSA-N 1 2 337.291 3.113 20 30 EGEDLO C=CCCO[C@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)CC=C(Cl)Cl ZINC001152259903 1379894735 /nfs/dbraw/zinc/89/47/35/1379894735.db2.gz RKJIDJWTADZYIF-CHWSQXEVSA-N 1 2 337.291 3.113 20 30 EGEDLO CC[N@H+](Cc1c(Cl)cccc1Cl)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152419959 1379931209 /nfs/dbraw/zinc/93/12/09/1379931209.db2.gz JUYQYNFEVQFYOM-VXGBXAGGSA-N 1 2 342.270 3.480 20 30 EGEDLO CC[N@@H+](Cc1c(Cl)cccc1Cl)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152419959 1379931216 /nfs/dbraw/zinc/93/12/16/1379931216.db2.gz JUYQYNFEVQFYOM-VXGBXAGGSA-N 1 2 342.270 3.480 20 30 EGEDLO CC[N@H+](Cc1nc(C(C)(C)C)cs1)[C@H](C)CNC(=O)C#CC(C)C ZINC001153214479 1380037470 /nfs/dbraw/zinc/03/74/70/1380037470.db2.gz NXDLOVSDOVQCNS-OAHLLOKOSA-N 1 2 349.544 3.427 20 30 EGEDLO CC[N@@H+](Cc1nc(C(C)(C)C)cs1)[C@H](C)CNC(=O)C#CC(C)C ZINC001153214479 1380037472 /nfs/dbraw/zinc/03/74/72/1380037472.db2.gz NXDLOVSDOVQCNS-OAHLLOKOSA-N 1 2 349.544 3.427 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(C)on1 ZINC001153588362 1380099254 /nfs/dbraw/zinc/09/92/54/1380099254.db2.gz SMZYKYDLTWFLKS-LLVKDONJSA-N 1 2 327.856 3.088 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(C)on1 ZINC001153588362 1380099257 /nfs/dbraw/zinc/09/92/57/1380099257.db2.gz SMZYKYDLTWFLKS-LLVKDONJSA-N 1 2 327.856 3.088 20 30 EGEDLO C=CCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1nnc(-c2ccco2)o1 ZINC001154927884 1380377889 /nfs/dbraw/zinc/37/78/89/1380377889.db2.gz RHYUDVAMAABTMC-CQSZACIVSA-N 1 2 346.431 3.013 20 30 EGEDLO C=CCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nnc(-c2ccco2)o1 ZINC001154927884 1380377890 /nfs/dbraw/zinc/37/78/90/1380377890.db2.gz RHYUDVAMAABTMC-CQSZACIVSA-N 1 2 346.431 3.013 20 30 EGEDLO C=CCOc1ccccc1[C@@H](C)NC(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156978633 1380741965 /nfs/dbraw/zinc/74/19/65/1380741965.db2.gz AFXFWFAETABXPJ-GFCCVEGCSA-N 1 2 336.395 3.201 20 30 EGEDLO C=CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1noc2c1CCCC2 ZINC001157706353 1381009069 /nfs/dbraw/zinc/00/90/69/1381009069.db2.gz ZEEVDXIMEHECER-MRXNPFEDSA-N 1 2 345.487 3.333 20 30 EGEDLO C=CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1noc2c1CCCC2 ZINC001157706353 1381009071 /nfs/dbraw/zinc/00/90/71/1381009071.db2.gz ZEEVDXIMEHECER-MRXNPFEDSA-N 1 2 345.487 3.333 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nocc1C ZINC001158377229 1381225487 /nfs/dbraw/zinc/22/54/87/1381225487.db2.gz JSRFJSGRICJRQR-IAGOWNOFSA-N 1 2 333.476 3.398 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nocc1C ZINC001158377229 1381225493 /nfs/dbraw/zinc/22/54/93/1381225493.db2.gz JSRFJSGRICJRQR-IAGOWNOFSA-N 1 2 333.476 3.398 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)CC2(C)CC2)CC1 ZINC001160699683 1382174532 /nfs/dbraw/zinc/17/45/32/1382174532.db2.gz LWDMCZYBFGWKMC-UHFFFAOYSA-N 1 2 341.293 3.224 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)CC2(C)CC2)CC1 ZINC001160699683 1382174535 /nfs/dbraw/zinc/17/45/35/1382174535.db2.gz LWDMCZYBFGWKMC-UHFFFAOYSA-N 1 2 341.293 3.224 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@H+](Cc2ncc(CC)o2)CC1 ZINC001160882268 1382222377 /nfs/dbraw/zinc/22/23/77/1382222377.db2.gz IWOOQDVRJMHHAT-UHFFFAOYSA-N 1 2 331.460 3.088 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2ncc(CC)o2)CC1 ZINC001160882268 1382222386 /nfs/dbraw/zinc/22/23/86/1382222386.db2.gz IWOOQDVRJMHHAT-UHFFFAOYSA-N 1 2 331.460 3.088 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)[C@H](F)C(C)C)CC1 ZINC001160946846 1382247533 /nfs/dbraw/zinc/24/75/33/1382247533.db2.gz RBBOKFAJQQKWCN-CQSZACIVSA-N 1 2 347.272 3.028 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)[C@H](F)C(C)C)CC1 ZINC001160946846 1382247530 /nfs/dbraw/zinc/24/75/30/1382247530.db2.gz RBBOKFAJQQKWCN-CQSZACIVSA-N 1 2 347.272 3.028 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@H+](Cc2ncc(C)o2)CC1 ZINC001160991519 1382264347 /nfs/dbraw/zinc/26/43/47/1382264347.db2.gz PDWDNVNRGXFJBA-MRXNPFEDSA-N 1 2 331.460 3.224 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@@H+](Cc2ncc(C)o2)CC1 ZINC001160991519 1382264351 /nfs/dbraw/zinc/26/43/51/1382264351.db2.gz PDWDNVNRGXFJBA-MRXNPFEDSA-N 1 2 331.460 3.224 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@H+](Cc2cc(C)on2)CC1 ZINC001160991090 1382264985 /nfs/dbraw/zinc/26/49/85/1382264985.db2.gz LKTZXPMVCAYPDH-MRXNPFEDSA-N 1 2 331.460 3.224 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@@H+](Cc2cc(C)on2)CC1 ZINC001160991090 1382264988 /nfs/dbraw/zinc/26/49/88/1382264988.db2.gz LKTZXPMVCAYPDH-MRXNPFEDSA-N 1 2 331.460 3.224 20 30 EGEDLO C=CCCCC(=O)NCCC1=CC[N@H+]([C@H](C)c2nnc(C)s2)CC1 ZINC001161056897 1382285786 /nfs/dbraw/zinc/28/57/86/1382285786.db2.gz SZDACFYKAQBPOU-CQSZACIVSA-N 1 2 348.516 3.402 20 30 EGEDLO C=CCCCC(=O)NCCC1=CC[N@@H+]([C@H](C)c2nnc(C)s2)CC1 ZINC001161056897 1382285791 /nfs/dbraw/zinc/28/57/91/1382285791.db2.gz SZDACFYKAQBPOU-CQSZACIVSA-N 1 2 348.516 3.402 20 30 EGEDLO C=CCCCC(=O)NCCC1=CC[N@H+]([C@@H](C)c2nnc(CC)o2)CC1 ZINC001161063266 1382288350 /nfs/dbraw/zinc/28/83/50/1382288350.db2.gz SVIZXVLMOGPDQE-HNNXBMFYSA-N 1 2 346.475 3.188 20 30 EGEDLO C=CCCCC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nnc(CC)o2)CC1 ZINC001161063266 1382288355 /nfs/dbraw/zinc/28/83/55/1382288355.db2.gz SVIZXVLMOGPDQE-HNNXBMFYSA-N 1 2 346.475 3.188 20 30 EGEDLO C=CCCCC(=O)NCCC1=CC[N@H+]([C@H](C)c2nc(CC)no2)CC1 ZINC001161063237 1382288469 /nfs/dbraw/zinc/28/84/69/1382288469.db2.gz RUMSGWMEIVDOAF-OAHLLOKOSA-N 1 2 346.475 3.188 20 30 EGEDLO C=CCCCC(=O)NCCC1=CC[N@@H+]([C@H](C)c2nc(CC)no2)CC1 ZINC001161063237 1382288472 /nfs/dbraw/zinc/28/84/72/1382288472.db2.gz RUMSGWMEIVDOAF-OAHLLOKOSA-N 1 2 346.475 3.188 20 30 EGEDLO O=C1C=C(Nc2ccc(-c3ccc(-n4cc[nH+]c4)cc3)nn2)CCC1 ZINC001163453108 1383054488 /nfs/dbraw/zinc/05/44/88/1383054488.db2.gz QIMOFDRPDBMEND-UHFFFAOYSA-N 1 2 331.379 3.378 20 30 EGEDLO CSCCCNc1cc(/C=N/[S@](=O)C(C)(C)C)cc(C)[nH+]1 ZINC001163874473 1383131734 /nfs/dbraw/zinc/13/17/34/1383131734.db2.gz CKVGWALBDPYNBR-KDHISYJLSA-N 1 2 327.519 3.436 20 30 EGEDLO COC[C@@]12CCCO[C@@H]1CCN(c1[nH+]ccc3ccc(C#N)cc31)C2 ZINC001165954410 1383370552 /nfs/dbraw/zinc/37/05/52/1383370552.db2.gz RUPPFTHNUYIRCG-QUCCMNQESA-N 1 2 337.423 3.128 20 30 EGEDLO COC(=O)CCN(Cc1ccco1)c1[nH+]ccc2ccc(C#N)cc21 ZINC001166583403 1383441820 /nfs/dbraw/zinc/44/18/20/1383441820.db2.gz OOVPZBSWRQLHLV-UHFFFAOYSA-N 1 2 335.363 3.269 20 30 EGEDLO C[C@H](C(=O)OC(C)(C)C)[N@H+](CCOc1cccc(C#N)c1)C1CC1 ZINC001307833285 1384039318 /nfs/dbraw/zinc/03/93/18/1384039318.db2.gz FZEQPNQAGUFYFH-CQSZACIVSA-N 1 2 330.428 3.132 20 30 EGEDLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](CCOc1cccc(C#N)c1)C1CC1 ZINC001307833285 1384039326 /nfs/dbraw/zinc/03/93/26/1384039326.db2.gz FZEQPNQAGUFYFH-CQSZACIVSA-N 1 2 330.428 3.132 20 30 EGEDLO CCOC(=O)c1n[nH]c([C@H](CC(C)C)[NH2+]C2CCC(C)(C#N)CC2)n1 ZINC001308844385 1384154511 /nfs/dbraw/zinc/15/45/11/1384154511.db2.gz KMSDIGGCDQNAHH-FVRSWCFKSA-N 1 2 347.463 3.131 20 30 EGEDLO C#C[C@@](C)(CC)Nc1c2[nH+]ccn2ccc1I ZINC001169697178 1384174738 /nfs/dbraw/zinc/17/47/38/1384174738.db2.gz HRZWMQRSBZMAHO-ZDUSSCGKSA-N 1 2 339.180 3.153 20 30 EGEDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)CC1(C#N)CCCCC1 ZINC001309762577 1384195926 /nfs/dbraw/zinc/19/59/26/1384195926.db2.gz JHDPWWFSTDJDKI-UHFFFAOYSA-N 1 2 335.473 3.492 20 30 EGEDLO CCC[C@](C)(C#N)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171257337 1384480266 /nfs/dbraw/zinc/48/02/66/1384480266.db2.gz YKKJFOHNQHSVPS-AQDPXUSMSA-N 1 2 325.456 3.494 20 30 EGEDLO CN(C)c1nc(NCCOc2ccc(C#N)cc2)[nH+]c2ccccc21 ZINC001171482323 1384536594 /nfs/dbraw/zinc/53/65/94/1384536594.db2.gz KXPXXORIGOBJQJ-UHFFFAOYSA-N 1 2 333.395 3.058 20 30 EGEDLO CC(C)[C@@](C)(C#N)[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173410222 1384967604 /nfs/dbraw/zinc/96/76/04/1384967604.db2.gz BUNSBQLZFANCQH-GOSISDBHSA-N 1 2 333.863 3.472 20 30 EGEDLO CCOC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173588234 1384982327 /nfs/dbraw/zinc/98/23/27/1384982327.db2.gz FDKZALJOYRFHIW-HFCFLWKCSA-N 1 2 332.419 3.362 20 30 EGEDLO Cc1cc(C(=O)NCC[N@@H+](C)Cc2cc(C#N)ccc2F)c(C)s1 ZINC001317451542 1385150157 /nfs/dbraw/zinc/15/01/57/1385150157.db2.gz OEJUQYTYGLFRBS-UHFFFAOYSA-N 1 2 345.443 3.238 20 30 EGEDLO Cc1cc(C(=O)NCC[N@H+](C)Cc2cc(C#N)ccc2F)c(C)s1 ZINC001317451542 1385150158 /nfs/dbraw/zinc/15/01/58/1385150158.db2.gz OEJUQYTYGLFRBS-UHFFFAOYSA-N 1 2 345.443 3.238 20 30 EGEDLO N#C[C@]1(C(=O)N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)CC12CCCC2 ZINC001336025502 1388992815 /nfs/dbraw/zinc/99/28/15/1388992815.db2.gz PYHIHMKWNSSYBO-APWZRJJASA-N 1 2 343.858 3.287 20 30 EGEDLO CCC[C@@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001317960937 1385588741 /nfs/dbraw/zinc/58/87/41/1385588741.db2.gz IIGSLMKKCKRNSN-PBHICJAKSA-N 1 2 331.435 3.214 20 30 EGEDLO CCC[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001317960937 1385588748 /nfs/dbraw/zinc/58/87/48/1385588748.db2.gz IIGSLMKKCKRNSN-PBHICJAKSA-N 1 2 331.435 3.214 20 30 EGEDLO CCCCC1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC001318277207 1385640365 /nfs/dbraw/zinc/64/03/65/1385640365.db2.gz YTAZGYQBZFEVCO-KRWDZBQOSA-N 1 2 343.446 3.358 20 30 EGEDLO CCCCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC001318277207 1385640377 /nfs/dbraw/zinc/64/03/77/1385640377.db2.gz YTAZGYQBZFEVCO-KRWDZBQOSA-N 1 2 343.446 3.358 20 30 EGEDLO C#CCOc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)cc1 ZINC001318371858 1385657497 /nfs/dbraw/zinc/65/74/97/1385657497.db2.gz NJMNLCDMURUIGV-FQEVSTJZSA-N 1 2 349.434 3.087 20 30 EGEDLO C#CCOc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)cc1 ZINC001318371858 1385657503 /nfs/dbraw/zinc/65/75/03/1385657503.db2.gz NJMNLCDMURUIGV-FQEVSTJZSA-N 1 2 349.434 3.087 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001177107270 1385814616 /nfs/dbraw/zinc/81/46/16/1385814616.db2.gz PJVIFYNGFZJCPK-RBUKOAKNSA-N 1 2 342.483 3.091 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001177107270 1385814622 /nfs/dbraw/zinc/81/46/22/1385814622.db2.gz PJVIFYNGFZJCPK-RBUKOAKNSA-N 1 2 342.483 3.091 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C3(CC(C)C)CCCC3)C[C@H]21 ZINC001177113314 1385817654 /nfs/dbraw/zinc/81/76/54/1385817654.db2.gz RYFBSPYYHQSPBY-MOPGFXCFSA-N 1 2 348.531 3.471 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C3(CC(C)C)CCCC3)C[C@H]21 ZINC001177113314 1385817658 /nfs/dbraw/zinc/81/76/58/1385817658.db2.gz RYFBSPYYHQSPBY-MOPGFXCFSA-N 1 2 348.531 3.471 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)CCCCC)C[C@H]21 ZINC001177150159 1385833630 /nfs/dbraw/zinc/83/36/30/1385833630.db2.gz IWFRXHDRQNHBLV-MSOLQXFVSA-N 1 2 336.520 3.471 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)CCCCC)C[C@H]21 ZINC001177150159 1385833633 /nfs/dbraw/zinc/83/36/33/1385833633.db2.gz IWFRXHDRQNHBLV-MSOLQXFVSA-N 1 2 336.520 3.471 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)CCCCC)C[C@@H]21 ZINC001177150161 1385835562 /nfs/dbraw/zinc/83/55/62/1385835562.db2.gz IWFRXHDRQNHBLV-ROUUACIJSA-N 1 2 336.520 3.471 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)CCCCC)C[C@@H]21 ZINC001177150161 1385835569 /nfs/dbraw/zinc/83/55/69/1385835569.db2.gz IWFRXHDRQNHBLV-ROUUACIJSA-N 1 2 336.520 3.471 20 30 EGEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C(CC(C)C)CC(C)C)C[C@H]21 ZINC001177157580 1385838281 /nfs/dbraw/zinc/83/82/81/1385838281.db2.gz SVZIRXADEYMQBG-UXHICEINSA-N 1 2 348.531 3.020 20 30 EGEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(CC(C)C)CC(C)C)C[C@H]21 ZINC001177157580 1385838287 /nfs/dbraw/zinc/83/82/87/1385838287.db2.gz SVZIRXADEYMQBG-UXHICEINSA-N 1 2 348.531 3.020 20 30 EGEDLO CN(C(=O)C[N@H+](C)Cc1cc2ccccc2[nH]1)C1(C#N)CCCCC1 ZINC001319016351 1385926991 /nfs/dbraw/zinc/92/69/91/1385926991.db2.gz IKMVPQORUUGQSQ-UHFFFAOYSA-N 1 2 338.455 3.285 20 30 EGEDLO CN(C(=O)C[N@@H+](C)Cc1cc2ccccc2[nH]1)C1(C#N)CCCCC1 ZINC001319016351 1385927007 /nfs/dbraw/zinc/92/70/07/1385927007.db2.gz IKMVPQORUUGQSQ-UHFFFAOYSA-N 1 2 338.455 3.285 20 30 EGEDLO N#CCc1cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccco2)ccc1F ZINC001177626675 1386010463 /nfs/dbraw/zinc/01/04/63/1386010463.db2.gz BXRLXFNAVNDMDR-QGZVFWFLSA-N 1 2 327.359 3.088 20 30 EGEDLO N#CCc1cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccco2)ccc1F ZINC001177626675 1386010467 /nfs/dbraw/zinc/01/04/67/1386010467.db2.gz BXRLXFNAVNDMDR-QGZVFWFLSA-N 1 2 327.359 3.088 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2nc(CCCC)no2)[C@@H]1C ZINC001179384116 1386469204 /nfs/dbraw/zinc/46/92/04/1386469204.db2.gz CZJDLOYVOPSBNN-PMPSAXMXSA-N 1 2 348.491 3.094 20 30 EGEDLO Cc1cc(C(=O)N(C)CC[N@H+](C)Cc2ccccc2C#N)sc1C ZINC001320079974 1386497167 /nfs/dbraw/zinc/49/71/67/1386497167.db2.gz CKXPYCVIVKHJIU-UHFFFAOYSA-N 1 2 341.480 3.441 20 30 EGEDLO Cc1cc(C(=O)N(C)CC[N@@H+](C)Cc2ccccc2C#N)sc1C ZINC001320079974 1386497169 /nfs/dbraw/zinc/49/71/69/1386497169.db2.gz CKXPYCVIVKHJIU-UHFFFAOYSA-N 1 2 341.480 3.441 20 30 EGEDLO N#Cc1cccc(C[NH2+][C@@H]2COc3cc(F)c(Br)cc32)n1 ZINC001181184065 1386954048 /nfs/dbraw/zinc/95/40/48/1386954048.db2.gz CJYATYZRTBJWNF-CQSZACIVSA-N 1 2 348.175 3.078 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C1(c2cccnc2)CCCC1 ZINC001322230884 1387112179 /nfs/dbraw/zinc/11/21/79/1387112179.db2.gz OSMXUIJZYMRLHW-OAHLLOKOSA-N 1 2 335.879 3.082 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C1(c2cccnc2)CCCC1 ZINC001322230884 1387112181 /nfs/dbraw/zinc/11/21/81/1387112181.db2.gz OSMXUIJZYMRLHW-OAHLLOKOSA-N 1 2 335.879 3.082 20 30 EGEDLO N#Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c(F)c1 ZINC001338780557 1389761548 /nfs/dbraw/zinc/76/15/48/1389761548.db2.gz HZDCHSMWOFDJJR-UHFFFAOYSA-N 1 2 338.386 3.013 20 30 EGEDLO N#CCc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)cc1 ZINC001338793619 1389767362 /nfs/dbraw/zinc/76/73/62/1389767362.db2.gz RWZZQRKFBNRMKN-LJQANCHMSA-N 1 2 334.423 3.141 20 30 EGEDLO N#CCc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)cc1 ZINC001338793619 1389767366 /nfs/dbraw/zinc/76/73/66/1389767366.db2.gz RWZZQRKFBNRMKN-LJQANCHMSA-N 1 2 334.423 3.141 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001339530150 1390056708 /nfs/dbraw/zinc/05/67/08/1390056708.db2.gz XTDKKPLFWPPMCH-BBWFWOEESA-N 1 2 329.492 3.390 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001339530150 1390056712 /nfs/dbraw/zinc/05/67/12/1390056712.db2.gz XTDKKPLFWPPMCH-BBWFWOEESA-N 1 2 329.492 3.390 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H]1C1CCC1 ZINC001339528097 1390056820 /nfs/dbraw/zinc/05/68/20/1390056820.db2.gz CDNQHLZDWDPICP-IRXDYDNUSA-N 1 2 329.492 3.390 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H]1C1CCC1 ZINC001339528097 1390056823 /nfs/dbraw/zinc/05/68/23/1390056823.db2.gz CDNQHLZDWDPICP-IRXDYDNUSA-N 1 2 329.492 3.390 20 30 EGEDLO C=C(C)CN(CC)c1nnc([C@@H]2CCC[N@@H+]2C)n1Cc1ccccc1 ZINC001340656459 1390337893 /nfs/dbraw/zinc/33/78/93/1390337893.db2.gz FHAVFKOTKNGTQN-SFHVURJKSA-N 1 2 339.487 3.496 20 30 EGEDLO C=C(C)CN(CC)c1nnc([C@@H]2CCC[N@H+]2C)n1Cc1ccccc1 ZINC001340656459 1390337898 /nfs/dbraw/zinc/33/78/98/1390337898.db2.gz FHAVFKOTKNGTQN-SFHVURJKSA-N 1 2 339.487 3.496 20 30 EGEDLO C=CCC[C@@H]1CCCN1c1nnc(Cc2[nH+]ccn2C)n1CC(=C)C ZINC001341755068 1390525608 /nfs/dbraw/zinc/52/56/08/1390525608.db2.gz ACNHVWJVGCJIKZ-MRXNPFEDSA-N 1 2 340.475 3.114 20 30 EGEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(CC)CCCC ZINC001342012833 1390561895 /nfs/dbraw/zinc/56/18/95/1390561895.db2.gz LVRXIJDAJFCCCR-SJORKVTESA-N 1 2 347.507 3.016 20 30 EGEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(CC)CCCC ZINC001342012833 1390561897 /nfs/dbraw/zinc/56/18/97/1390561897.db2.gz LVRXIJDAJFCCCR-SJORKVTESA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(CC)[C@H](C)CC ZINC001342355284 1390604579 /nfs/dbraw/zinc/60/45/79/1390604579.db2.gz ONVXJOMOGYXMTK-SJORKVTESA-N 1 2 349.523 3.261 20 30 EGEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(CC)[C@H](C)CC ZINC001342355284 1390604582 /nfs/dbraw/zinc/60/45/82/1390604582.db2.gz ONVXJOMOGYXMTK-SJORKVTESA-N 1 2 349.523 3.261 20 30 EGEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC001335366237 1390676381 /nfs/dbraw/zinc/67/63/81/1390676381.db2.gz LUVBCBGGMKPMSG-ICSRJNTNSA-N 1 2 346.434 3.270 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCc2ccccc2C1 ZINC001343546520 1390721883 /nfs/dbraw/zinc/72/18/83/1390721883.db2.gz QMFNEJYTFCOIIA-GOSISDBHSA-N 1 2 337.471 3.184 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCc2ccccc2C1 ZINC001343546520 1390721885 /nfs/dbraw/zinc/72/18/85/1390721885.db2.gz QMFNEJYTFCOIIA-GOSISDBHSA-N 1 2 337.471 3.184 20 30 EGEDLO CC(C)CN(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC(C)C ZINC001343678105 1390730533 /nfs/dbraw/zinc/73/05/33/1390730533.db2.gz WFYCPCXWRROXGR-UHFFFAOYSA-N 1 2 346.523 3.119 20 30 EGEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCS[C@@H](CC)C1 ZINC001343771824 1390735955 /nfs/dbraw/zinc/73/59/55/1390735955.db2.gz FEEVCWRTSNEZHN-INIZCTEOSA-N 1 2 349.548 3.172 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](CC#N)C1 ZINC001343927128 1390744744 /nfs/dbraw/zinc/74/47/44/1390744744.db2.gz GRKTVUZKUSZBQY-DLBZAZTESA-N 1 2 342.491 3.141 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](CC#N)C1 ZINC001343927128 1390744746 /nfs/dbraw/zinc/74/47/46/1390744746.db2.gz GRKTVUZKUSZBQY-DLBZAZTESA-N 1 2 342.491 3.141 20 30 EGEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC=CCC1 ZINC001351947880 1391721694 /nfs/dbraw/zinc/72/16/94/1391721694.db2.gz BDJWRHINGGKSFG-QGZVFWFLSA-N 1 2 337.471 3.423 20 30 EGEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC=CCC1 ZINC001351947880 1391721700 /nfs/dbraw/zinc/72/17/00/1391721700.db2.gz BDJWRHINGGKSFG-QGZVFWFLSA-N 1 2 337.471 3.423 20 30 EGEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)c1ccc(Cl)o1 ZINC001481130050 1393128003 /nfs/dbraw/zinc/12/80/03/1393128003.db2.gz JQVPSSYEBYNZIW-UHFFFAOYSA-N 1 2 349.656 3.283 20 30 EGEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1ccc(Cl)o1 ZINC001481130050 1393128006 /nfs/dbraw/zinc/12/80/06/1393128006.db2.gz JQVPSSYEBYNZIW-UHFFFAOYSA-N 1 2 349.656 3.283 20 30 EGEDLO C[C@@H](C(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1)C(C)(C)C ZINC001481173037 1393141090 /nfs/dbraw/zinc/14/10/90/1393141090.db2.gz GEFULPCQYYLCBA-AWEZNQCLSA-N 1 2 345.462 3.460 20 30 EGEDLO C[C@@H](C(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1)C(C)(C)C ZINC001481173037 1393141092 /nfs/dbraw/zinc/14/10/92/1393141092.db2.gz GEFULPCQYYLCBA-AWEZNQCLSA-N 1 2 345.462 3.460 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)Cc1c(F)cccc1F ZINC001491224461 1394481529 /nfs/dbraw/zinc/48/15/29/1394481529.db2.gz IPSAFCKYHDCKMI-CYBMUJFWSA-N 1 2 342.817 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1c(F)cccc1F ZINC001491224461 1394481532 /nfs/dbraw/zinc/48/15/32/1394481532.db2.gz IPSAFCKYHDCKMI-CYBMUJFWSA-N 1 2 342.817 3.231 20 30 EGEDLO Cc1cc(C(=O)N(C)CC[N@H+](C)Cc2ccc(C#N)cc2F)c(C)o1 ZINC001698983301 1406763060 /nfs/dbraw/zinc/76/30/60/1406763060.db2.gz RZDOGUQXMNQURC-UHFFFAOYSA-N 1 2 343.402 3.111 20 30 EGEDLO Cc1cc(C(=O)N(C)CC[N@@H+](C)Cc2ccc(C#N)cc2F)c(C)o1 ZINC001698983301 1406763063 /nfs/dbraw/zinc/76/30/63/1406763063.db2.gz RZDOGUQXMNQURC-UHFFFAOYSA-N 1 2 343.402 3.111 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cc2ccccc2n1CC ZINC001485387801 1395876464 /nfs/dbraw/zinc/87/64/64/1395876464.db2.gz IUVRNXBLZGYHLH-CQSZACIVSA-N 1 2 333.863 3.464 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cc2ccccc2n1CC ZINC001485387801 1395876469 /nfs/dbraw/zinc/87/64/69/1395876469.db2.gz IUVRNXBLZGYHLH-CQSZACIVSA-N 1 2 333.863 3.464 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@H](C)c1ccc(F)cc1 ZINC001699003704 1406821757 /nfs/dbraw/zinc/82/17/57/1406821757.db2.gz CJIQILWGAMUYTD-ZDUSSCGKSA-N 1 2 326.843 3.462 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@H](C)c1ccc(F)cc1 ZINC001699003704 1406821758 /nfs/dbraw/zinc/82/17/58/1406821758.db2.gz CJIQILWGAMUYTD-ZDUSSCGKSA-N 1 2 326.843 3.462 20 30 EGEDLO C[N@H+](CCNC(=O)C(C)(C)c1ccccc1)Cc1ccccc1C#N ZINC001690994930 1404913499 /nfs/dbraw/zinc/91/34/99/1404913499.db2.gz YIDQSKSZPQWZPO-UHFFFAOYSA-N 1 2 335.451 3.084 20 30 EGEDLO C[N@@H+](CCNC(=O)C(C)(C)c1ccccc1)Cc1ccccc1C#N ZINC001690994930 1404913502 /nfs/dbraw/zinc/91/35/02/1404913502.db2.gz YIDQSKSZPQWZPO-UHFFFAOYSA-N 1 2 335.451 3.084 20 30 EGEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)c1cc(Cl)c[nH]1 ZINC001691175957 1405112720 /nfs/dbraw/zinc/11/27/20/1405112720.db2.gz UHKUFFQCZKDHFU-UHFFFAOYSA-N 1 2 348.672 3.019 20 30 EGEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1cc(Cl)c[nH]1 ZINC001691175957 1405112722 /nfs/dbraw/zinc/11/27/22/1405112722.db2.gz UHKUFFQCZKDHFU-UHFFFAOYSA-N 1 2 348.672 3.019 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H]1CCc2cc(C)ccc2O1)C1CC1 ZINC001731878455 1428146039 /nfs/dbraw/zinc/14/60/39/1428146039.db2.gz KKZMJAODYYWCCM-GOSISDBHSA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H]1CCc2cc(C)ccc2O1)C1CC1 ZINC001731878455 1428146041 /nfs/dbraw/zinc/14/60/41/1428146041.db2.gz KKZMJAODYYWCCM-GOSISDBHSA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(CCOC)CCC1 ZINC001699682562 1413077404 /nfs/dbraw/zinc/07/74/04/1413077404.db2.gz OVZGSZWOTSCLEJ-CVEARBPZSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(CCOC)CCC1 ZINC001699682562 1413077405 /nfs/dbraw/zinc/07/74/05/1413077405.db2.gz OVZGSZWOTSCLEJ-CVEARBPZSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCOc1ccccc1 ZINC001699683225 1413078166 /nfs/dbraw/zinc/07/81/66/1413078166.db2.gz ZJQAYDXUCIFIAK-SJORKVTESA-N 1 2 348.874 3.273 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCOc1ccccc1 ZINC001699683225 1413078170 /nfs/dbraw/zinc/07/81/70/1413078170.db2.gz ZJQAYDXUCIFIAK-SJORKVTESA-N 1 2 348.874 3.273 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)[C@H]1CCCC1(C)C ZINC001732589248 1428808327 /nfs/dbraw/zinc/80/83/27/1428808327.db2.gz HSXLAYFHYHCDRU-GOSISDBHSA-N 1 2 327.472 3.275 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)[C@H]1CCCC1(C)C ZINC001732589248 1428808332 /nfs/dbraw/zinc/80/83/32/1428808332.db2.gz HSXLAYFHYHCDRU-GOSISDBHSA-N 1 2 327.472 3.275 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)C1(CCOC)CCCC1 ZINC001713258875 1417864235 /nfs/dbraw/zinc/86/42/35/1417864235.db2.gz HNUMKLLSEJEMKI-INIZCTEOSA-N 1 2 342.911 3.307 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)C1(CCOC)CCCC1 ZINC001713258875 1417864242 /nfs/dbraw/zinc/86/42/42/1417864242.db2.gz HNUMKLLSEJEMKI-INIZCTEOSA-N 1 2 342.911 3.307 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cccnc1C(F)(F)F)C1CC1 ZINC001713562945 1418365943 /nfs/dbraw/zinc/36/59/43/1418365943.db2.gz SOTVBOCOFMMSGF-UHFFFAOYSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cccnc1C(F)(F)F)C1CC1 ZINC001713562945 1418365947 /nfs/dbraw/zinc/36/59/47/1418365947.db2.gz SOTVBOCOFMMSGF-UHFFFAOYSA-N 1 2 347.768 3.047 20 30 EGEDLO CC1(C)CC(C(=O)NCC[N@H+](Cc2ccccc2C#N)C2CC2)C1 ZINC001714663365 1419449856 /nfs/dbraw/zinc/44/98/56/1419449856.db2.gz MFFOQQYFIJJLFU-UHFFFAOYSA-N 1 2 325.456 3.075 20 30 EGEDLO CC1(C)CC(C(=O)NCC[N@@H+](Cc2ccccc2C#N)C2CC2)C1 ZINC001714663365 1419449857 /nfs/dbraw/zinc/44/98/57/1419449857.db2.gz MFFOQQYFIJJLFU-UHFFFAOYSA-N 1 2 325.456 3.075 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccc(C)c(F)c1F)C1CC1 ZINC001714674264 1419465589 /nfs/dbraw/zinc/46/55/89/1419465589.db2.gz SMRJDZAKVJVDNI-UHFFFAOYSA-N 1 2 328.790 3.220 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccc(C)c(F)c1F)C1CC1 ZINC001714674264 1419465590 /nfs/dbraw/zinc/46/55/90/1419465590.db2.gz SMRJDZAKVJVDNI-UHFFFAOYSA-N 1 2 328.790 3.220 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H](C)Cc1ccccc1F)C1CC1 ZINC001714675436 1419467418 /nfs/dbraw/zinc/46/74/18/1419467418.db2.gz XIGNYVJCAITGJU-CYBMUJFWSA-N 1 2 338.854 3.337 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H](C)Cc1ccccc1F)C1CC1 ZINC001714675436 1419467421 /nfs/dbraw/zinc/46/74/21/1419467421.db2.gz XIGNYVJCAITGJU-CYBMUJFWSA-N 1 2 338.854 3.337 20 30 EGEDLO Cc1ccc(C(=O)N(C)CC[N@H+](C)Cc2ccc(C#N)cc2F)s1 ZINC001715510570 1420194375 /nfs/dbraw/zinc/19/43/75/1420194375.db2.gz VUNXOCGWCVZUDG-UHFFFAOYSA-N 1 2 345.443 3.271 20 30 EGEDLO Cc1ccc(C(=O)N(C)CC[N@@H+](C)Cc2ccc(C#N)cc2F)s1 ZINC001715510570 1420194376 /nfs/dbraw/zinc/19/43/76/1420194376.db2.gz VUNXOCGWCVZUDG-UHFFFAOYSA-N 1 2 345.443 3.271 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1coc2ccc(C)cc12 ZINC001715843543 1420365191 /nfs/dbraw/zinc/36/51/91/1420365191.db2.gz VCLMZNHJRDJSJB-UHFFFAOYSA-N 1 2 334.847 3.426 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1coc2ccc(C)cc12 ZINC001715843543 1420365193 /nfs/dbraw/zinc/36/51/93/1420365193.db2.gz VCLMZNHJRDJSJB-UHFFFAOYSA-N 1 2 334.847 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCc1ccc2[nH]ccc2c1 ZINC001715894559 1420386368 /nfs/dbraw/zinc/38/63/68/1420386368.db2.gz HYVDFCPWMIDXNL-UHFFFAOYSA-N 1 2 333.863 3.243 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCc1ccc2[nH]ccc2c1 ZINC001715894559 1420386369 /nfs/dbraw/zinc/38/63/69/1420386369.db2.gz HYVDFCPWMIDXNL-UHFFFAOYSA-N 1 2 333.863 3.243 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1nsc2ccc(C)cc21 ZINC001717484128 1421420142 /nfs/dbraw/zinc/42/01/42/1421420142.db2.gz RPBILUOMSVDOBL-LBPRGKRZSA-N 1 2 337.876 3.407 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1nsc2ccc(C)cc21 ZINC001717484128 1421420143 /nfs/dbraw/zinc/42/01/43/1421420143.db2.gz RPBILUOMSVDOBL-LBPRGKRZSA-N 1 2 337.876 3.407 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2c(F)cccc2Cl)C1 ZINC001717559583 1421495457 /nfs/dbraw/zinc/49/54/57/1421495457.db2.gz IENOEFKMVFYFRT-LLVKDONJSA-N 1 2 345.245 3.211 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCc2cncc(C)c2)[C@H]1C ZINC001717854940 1421667278 /nfs/dbraw/zinc/66/72/78/1421667278.db2.gz AJRYIVFZMLSQKL-NVXWUHKLSA-N 1 2 335.879 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCc2cncc(C)c2)[C@H]1C ZINC001717854940 1421667279 /nfs/dbraw/zinc/66/72/79/1421667279.db2.gz AJRYIVFZMLSQKL-NVXWUHKLSA-N 1 2 335.879 3.044 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCC1CCC1 ZINC001731534073 1427527445 /nfs/dbraw/zinc/52/74/45/1427527445.db2.gz SDXALDTZZROXFX-OAHLLOKOSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)CCC1CCC1 ZINC001731534073 1427527448 /nfs/dbraw/zinc/52/74/48/1427527448.db2.gz SDXALDTZZROXFX-OAHLLOKOSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnoc1-c1ccccc1 ZINC001731812632 1427997653 /nfs/dbraw/zinc/99/76/53/1427997653.db2.gz IPKYJNPFRYODTG-UHFFFAOYSA-N 1 2 333.819 3.146 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnoc1-c1ccccc1 ZINC001731812632 1427997656 /nfs/dbraw/zinc/99/76/56/1427997656.db2.gz IPKYJNPFRYODTG-UHFFFAOYSA-N 1 2 333.819 3.146 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+](CCNC(=O)C2CCCCC2)C2CC2)c1 ZINC001731872987 1428131777 /nfs/dbraw/zinc/13/17/77/1428131777.db2.gz SAOPTBCNORGESD-UHFFFAOYSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+](CCNC(=O)C2CCCCC2)C2CC2)c1 ZINC001731872987 1428131780 /nfs/dbraw/zinc/13/17/80/1428131780.db2.gz SAOPTBCNORGESD-UHFFFAOYSA-N 1 2 343.446 3.358 20 30 EGEDLO CCC1(C(=O)NCC[N@H+](Cc2ccc(C#N)cc2F)C2CC2)CCC1 ZINC001731879363 1428148364 /nfs/dbraw/zinc/14/83/64/1428148364.db2.gz QGUMYWXQVQDBDN-UHFFFAOYSA-N 1 2 343.446 3.358 20 30 EGEDLO CCC1(C(=O)NCC[N@@H+](Cc2ccc(C#N)cc2F)C2CC2)CCC1 ZINC001731879363 1428148369 /nfs/dbraw/zinc/14/83/69/1428148369.db2.gz QGUMYWXQVQDBDN-UHFFFAOYSA-N 1 2 343.446 3.358 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)CCCC)C(C)(C)C1 ZINC001733873266 1437699600 /nfs/dbraw/zinc/69/96/00/1437699600.db2.gz XFEUMZMPHCBUKN-CYBMUJFWSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)CCCC)C(C)(C)C1 ZINC001733873266 1437699601 /nfs/dbraw/zinc/69/96/01/1437699601.db2.gz XFEUMZMPHCBUKN-CYBMUJFWSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1snc(Cl)c1Cl ZINC001734040178 1437828488 /nfs/dbraw/zinc/82/84/88/1437828488.db2.gz ZGMJYZLMMOUFIU-SSDOTTSWSA-N 1 2 342.679 3.253 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1snc(Cl)c1Cl ZINC001734040178 1437828490 /nfs/dbraw/zinc/82/84/90/1437828490.db2.gz ZGMJYZLMMOUFIU-SSDOTTSWSA-N 1 2 342.679 3.253 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(Cc3ccccc3)CC2)C1 ZINC001752323966 1440170819 /nfs/dbraw/zinc/17/08/19/1440170819.db2.gz VXGXFKSRKGKIQL-QGZVFWFLSA-N 1 2 332.875 3.342 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(Cc3ccccc3)CC2)C1 ZINC001752323966 1440170821 /nfs/dbraw/zinc/17/08/21/1440170821.db2.gz VXGXFKSRKGKIQL-QGZVFWFLSA-N 1 2 332.875 3.342 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)c2nc(CCCC)no2)C1 ZINC001752571933 1440195538 /nfs/dbraw/zinc/19/55/38/1440195538.db2.gz SLBPOEASVZDVLZ-CABCVRRESA-N 1 2 348.491 3.266 20 30 EGEDLO C=C(C)CCC(=O)NCC[N@@H+](C)Cc1nc(-c2ccco2)oc1C ZINC001753051096 1440279387 /nfs/dbraw/zinc/27/93/87/1440279387.db2.gz ZBVJMUXRXZONPJ-UHFFFAOYSA-N 1 2 331.416 3.147 20 30 EGEDLO C=C(C)CCC(=O)NCC[N@H+](C)Cc1nc(-c2ccco2)oc1C ZINC001753051096 1440279388 /nfs/dbraw/zinc/27/93/88/1440279388.db2.gz ZBVJMUXRXZONPJ-UHFFFAOYSA-N 1 2 331.416 3.147 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccsc1C(F)(F)F ZINC001753071801 1440288692 /nfs/dbraw/zinc/28/86/92/1440288692.db2.gz DCZRMNATPHRTKK-UHFFFAOYSA-N 1 2 326.771 3.181 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccsc1C(F)(F)F ZINC001753071801 1440288693 /nfs/dbraw/zinc/28/86/93/1440288693.db2.gz DCZRMNATPHRTKK-UHFFFAOYSA-N 1 2 326.771 3.181 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)C1(CCC)CC1 ZINC001753111777 1440308753 /nfs/dbraw/zinc/30/87/53/1440308753.db2.gz ORBQXDKYCSMVHD-CYBMUJFWSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(CCC)CC1 ZINC001753111777 1440308754 /nfs/dbraw/zinc/30/87/54/1440308754.db2.gz ORBQXDKYCSMVHD-CYBMUJFWSA-N 1 2 329.282 3.056 20 30 EGEDLO CCC1(C(=O)NC[C@@H]2CCC[N@@H+]2CC#Cc2ccccc2Cl)CC1 ZINC001753111999 1440309110 /nfs/dbraw/zinc/30/91/10/1440309110.db2.gz UARONMZVINVXBP-KRWDZBQOSA-N 1 2 344.886 3.462 20 30 EGEDLO CCC1(C(=O)NC[C@@H]2CCC[N@H+]2CC#Cc2ccccc2Cl)CC1 ZINC001753111999 1440309111 /nfs/dbraw/zinc/30/91/11/1440309111.db2.gz UARONMZVINVXBP-KRWDZBQOSA-N 1 2 344.886 3.462 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@H]1CC[N@H+](Cc2cc(Cl)sc2Cl)C1 ZINC001753124856 1440314737 /nfs/dbraw/zinc/31/47/37/1440314737.db2.gz IJYSLSXFMKSXJR-VHSXEESVSA-N 1 2 346.283 3.153 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@H]1CC[N@@H+](Cc2cc(Cl)sc2Cl)C1 ZINC001753124856 1440314738 /nfs/dbraw/zinc/31/47/38/1440314738.db2.gz IJYSLSXFMKSXJR-VHSXEESVSA-N 1 2 346.283 3.153 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1nccc2ccsc21)C1CC1 ZINC001753156670 1440331277 /nfs/dbraw/zinc/33/12/77/1440331277.db2.gz ZMZCWGLPTGSMRL-UHFFFAOYSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1nccc2ccsc21)C1CC1 ZINC001753156670 1440331278 /nfs/dbraw/zinc/33/12/78/1440331278.db2.gz ZMZCWGLPTGSMRL-UHFFFAOYSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(C)C[NH2+][C@@H](CNC(=O)c1cccc2nc[nH]c21)c1ccccc1 ZINC001753311244 1440356556 /nfs/dbraw/zinc/35/65/56/1440356556.db2.gz KEMPJDATKUYHGB-SFHVURJKSA-N 1 2 334.423 3.200 20 30 EGEDLO C=C/C(C)=C/CC(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001753408341 1440392534 /nfs/dbraw/zinc/39/25/34/1440392534.db2.gz MERHHFQBBBHPLA-OMCISZLKSA-N 1 2 342.870 3.262 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)CC[C@@H]2CC(C)(C)CO2)C1 ZINC001753461979 1440411194 /nfs/dbraw/zinc/41/11/94/1440411194.db2.gz PZIQNFVFWLSJLW-JKSUJKDBSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)CC[C@@H]2CC(C)(C)CO2)C1 ZINC001753461979 1440411195 /nfs/dbraw/zinc/41/11/95/1440411195.db2.gz PZIQNFVFWLSJLW-JKSUJKDBSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC2(C[NH+](Cc3ncc(C)s3)C2)CC1 ZINC001753674680 1440463000 /nfs/dbraw/zinc/46/30/00/1440463000.db2.gz BPFZEGOJXXCLTD-MRXNPFEDSA-N 1 2 347.528 3.478 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC001753869619 1440516633 /nfs/dbraw/zinc/51/66/33/1440516633.db2.gz ZLIJKVRNFJSIIW-CQSZACIVSA-N 1 2 338.879 3.332 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC001753869619 1440516634 /nfs/dbraw/zinc/51/66/34/1440516634.db2.gz ZLIJKVRNFJSIIW-CQSZACIVSA-N 1 2 338.879 3.332 20 30 EGEDLO C=CCC1(C(=O)NC/C=C/C[NH2+][C@@H](C)c2nnc(C)o2)CCCCC1 ZINC001754209311 1440551071 /nfs/dbraw/zinc/55/10/71/1440551071.db2.gz GPHGBYWTSBTAOE-HVHJFMEUSA-N 1 2 346.475 3.228 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCOc1cc(C)cc(C)c1 ZINC001754311985 1440573631 /nfs/dbraw/zinc/57/36/31/1440573631.db2.gz WHSDHZHSZTXORW-INIZCTEOSA-N 1 2 338.879 3.261 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCOc1cc(C)cc(C)c1 ZINC001754311985 1440573632 /nfs/dbraw/zinc/57/36/32/1440573632.db2.gz WHSDHZHSZTXORW-INIZCTEOSA-N 1 2 338.879 3.261 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)C[N@H+](C)Cc1nc2c(o1)CCCC2 ZINC001754320111 1440577594 /nfs/dbraw/zinc/57/75/94/1440577594.db2.gz SVDKRUZTIHAWHD-AWEZNQCLSA-N 1 2 333.476 3.092 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1nc2c(o1)CCCC2 ZINC001754320111 1440577595 /nfs/dbraw/zinc/57/75/95/1440577595.db2.gz SVDKRUZTIHAWHD-AWEZNQCLSA-N 1 2 333.476 3.092 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(OC)c(Cl)c1 ZINC001754491238 1440610363 /nfs/dbraw/zinc/61/03/63/1440610363.db2.gz FPDGWIUUPYWBMJ-OAHLLOKOSA-N 1 2 336.863 3.395 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(OC)c(Cl)c1 ZINC001754491238 1440610364 /nfs/dbraw/zinc/61/03/64/1440610364.db2.gz FPDGWIUUPYWBMJ-OAHLLOKOSA-N 1 2 336.863 3.395 20 30 EGEDLO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)c1ccccc1 ZINC001754500873 1440614168 /nfs/dbraw/zinc/61/41/68/1440614168.db2.gz SNUROSFYNDVAEI-ZBFHGGJFSA-N 1 2 339.464 3.114 20 30 EGEDLO C[C@@H](C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)c1ccccc1 ZINC001754500873 1440614169 /nfs/dbraw/zinc/61/41/69/1440614169.db2.gz SNUROSFYNDVAEI-ZBFHGGJFSA-N 1 2 339.464 3.114 20 30 EGEDLO C=CCC(C)(C)C(=O)N(C)C1C[NH+](CCO[C@H]2CCCC[C@@H]2C)C1 ZINC001754582983 1440639080 /nfs/dbraw/zinc/63/90/80/1440639080.db2.gz JFJFSGXQAAYPOB-WMZOPIPTSA-N 1 2 336.520 3.327 20 30 EGEDLO C[C@H](C(=O)NC1(C)CC[NH+](Cc2cc(F)ccc2C#N)CC1)C1CC1 ZINC001754625261 1440646213 /nfs/dbraw/zinc/64/62/13/1440646213.db2.gz QATDQVRLVNZHNL-AWEZNQCLSA-N 1 2 343.446 3.214 20 30 EGEDLO C=CCCCC(=O)NC1(C)CC[NH+](Cc2nc(C(C)(C)C)no2)CC1 ZINC001754628980 1440647132 /nfs/dbraw/zinc/64/71/32/1440647132.db2.gz MSWAMXKEXPHYHW-UHFFFAOYSA-N 1 2 348.491 3.194 20 30 EGEDLO C#CCN(C(=O)CCCC1CC1)C1CC[NH+](Cc2cscn2)CC1 ZINC001754640488 1440648993 /nfs/dbraw/zinc/64/89/93/1440648993.db2.gz TWJUGOSRUONQEI-UHFFFAOYSA-N 1 2 345.512 3.150 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC001754669994 1440657714 /nfs/dbraw/zinc/65/77/14/1440657714.db2.gz JTXMKROSPMONJH-IBGZPJMESA-N 1 2 334.410 3.095 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001754669994 1440657715 /nfs/dbraw/zinc/65/77/15/1440657715.db2.gz JTXMKROSPMONJH-IBGZPJMESA-N 1 2 334.410 3.095 20 30 EGEDLO C#CCCCCCC(=O)N[C@]1(C)CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001754677672 1440660608 /nfs/dbraw/zinc/66/06/08/1440660608.db2.gz LRHZYUZWYKKSCG-LJQANCHMSA-N 1 2 347.890 3.399 20 30 EGEDLO C#CCCCCCC(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001754677672 1440660609 /nfs/dbraw/zinc/66/06/09/1440660609.db2.gz LRHZYUZWYKKSCG-LJQANCHMSA-N 1 2 347.890 3.399 20 30 EGEDLO C#CCCCC(=O)NC[C@@]1(C)CCC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC001754725724 1440676104 /nfs/dbraw/zinc/67/61/04/1440676104.db2.gz OPFWYYQHPYNTDC-HXUWFJFHSA-N 1 2 343.471 3.074 20 30 EGEDLO C#CCCCC(=O)NC[C@@]1(C)CCC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC001754725724 1440676105 /nfs/dbraw/zinc/67/61/05/1440676105.db2.gz OPFWYYQHPYNTDC-HXUWFJFHSA-N 1 2 343.471 3.074 20 30 EGEDLO C=C(Cl)C[N@@H+](C)Cc1ccccc1CNC(=O)COC(C)(C)C ZINC001754945552 1440712716 /nfs/dbraw/zinc/71/27/16/1440712716.db2.gz AJBHRIIKLNZNFT-UHFFFAOYSA-N 1 2 338.879 3.302 20 30 EGEDLO C=C(Cl)C[N@H+](C)Cc1ccccc1CNC(=O)COC(C)(C)C ZINC001754945552 1440712717 /nfs/dbraw/zinc/71/27/17/1440712717.db2.gz AJBHRIIKLNZNFT-UHFFFAOYSA-N 1 2 338.879 3.302 20 30 EGEDLO C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)c2cncc3nc[nH]c32)cc1 ZINC001754948471 1440714124 /nfs/dbraw/zinc/71/41/24/1440714124.db2.gz ZAANXKHKJJFMHQ-CQSZACIVSA-N 1 2 349.438 3.115 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCC[N@@H+](Cc2nc(CCC)no2)CC1 ZINC001755030090 1440731200 /nfs/dbraw/zinc/73/12/00/1440731200.db2.gz URWHLIIDJAIWEG-BEFAXECRSA-N 1 2 348.491 3.095 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCC[N@H+](Cc2nc(CCC)no2)CC1 ZINC001755030090 1440731201 /nfs/dbraw/zinc/73/12/01/1440731201.db2.gz URWHLIIDJAIWEG-BEFAXECRSA-N 1 2 348.491 3.095 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](Cc2cscn2)CC1(C)C ZINC001755138737 1440759408 /nfs/dbraw/zinc/75/94/08/1440759408.db2.gz ORACHOYPVNVUJK-HNNXBMFYSA-N 1 2 335.517 3.462 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](Cc2cscn2)CC1(C)C ZINC001755138737 1440759409 /nfs/dbraw/zinc/75/94/09/1440759409.db2.gz ORACHOYPVNVUJK-HNNXBMFYSA-N 1 2 335.517 3.462 20 30 EGEDLO C=CCCC(=O)NC[C@@H](C)[N@H+](C)Cc1cc(-c2ccccc2)on1 ZINC001755295022 1440805971 /nfs/dbraw/zinc/80/59/71/1440805971.db2.gz OVPAEBBOFYMLRU-OAHLLOKOSA-N 1 2 327.428 3.244 20 30 EGEDLO C=CCCC(=O)NC[C@@H](C)[N@@H+](C)Cc1cc(-c2ccccc2)on1 ZINC001755295022 1440805972 /nfs/dbraw/zinc/80/59/72/1440805972.db2.gz OVPAEBBOFYMLRU-OAHLLOKOSA-N 1 2 327.428 3.244 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H](C)C1C[NH+](Cc2nc(C)c(C)s2)C1 ZINC001755376469 1440838284 /nfs/dbraw/zinc/83/82/84/1440838284.db2.gz DSFZYFPMNJUNDS-CQSZACIVSA-N 1 2 347.528 3.465 20 30 EGEDLO CCC[C@@H](C)C(=O)N[C@@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001755385598 1440840352 /nfs/dbraw/zinc/84/03/52/1440840352.db2.gz ZEKALCKFIFXTMK-KGLIPLIRSA-N 1 2 331.435 3.070 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC001755385825 1440840620 /nfs/dbraw/zinc/84/06/20/1440840620.db2.gz DKQKQTFADPHFMH-LLVKDONJSA-N 1 2 345.245 3.211 20 30 EGEDLO C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001755456360 1440855660 /nfs/dbraw/zinc/85/56/60/1440855660.db2.gz SYSVSODDIPCAMZ-QWHCGFSZSA-N 1 2 336.373 3.166 20 30 EGEDLO C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001755456360 1440855661 /nfs/dbraw/zinc/85/56/61/1440855661.db2.gz SYSVSODDIPCAMZ-QWHCGFSZSA-N 1 2 336.373 3.166 20 30 EGEDLO C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001755456360 1440855662 /nfs/dbraw/zinc/85/56/62/1440855662.db2.gz SYSVSODDIPCAMZ-QWHCGFSZSA-N 1 2 336.373 3.166 20 30 EGEDLO C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001755456360 1440855663 /nfs/dbraw/zinc/85/56/63/1440855663.db2.gz SYSVSODDIPCAMZ-QWHCGFSZSA-N 1 2 336.373 3.166 20 30 EGEDLO C=CCCCC(=O)N1CC2(C1)CCC[N@@H+](CC(=C)Br)C2 ZINC001755456933 1440855838 /nfs/dbraw/zinc/85/58/38/1440855838.db2.gz HYIDAAVWECTTDB-UHFFFAOYSA-N 1 2 341.293 3.176 20 30 EGEDLO C=CCCCC(=O)N1CC2(C1)CCC[N@H+](CC(=C)Br)C2 ZINC001755456933 1440855839 /nfs/dbraw/zinc/85/58/39/1440855839.db2.gz HYIDAAVWECTTDB-UHFFFAOYSA-N 1 2 341.293 3.176 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)c2nnc(CC(C)C)o2)C1 ZINC001755603437 1440884708 /nfs/dbraw/zinc/88/47/08/1440884708.db2.gz BAEKULDDGLCGIW-CABCVRRESA-N 1 2 348.491 3.122 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CCC[N@H+](Cc2nocc2C)[C@H]1C ZINC001755717217 1440905532 /nfs/dbraw/zinc/90/55/32/1440905532.db2.gz QSINIOXHLBYBRZ-IRXDYDNUSA-N 1 2 331.460 3.036 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CCC[N@@H+](Cc2nocc2C)[C@H]1C ZINC001755717217 1440905533 /nfs/dbraw/zinc/90/55/33/1440905533.db2.gz QSINIOXHLBYBRZ-IRXDYDNUSA-N 1 2 331.460 3.036 20 30 EGEDLO CC(C)N(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@H]1C[C@H]1C ZINC001755809878 1440919440 /nfs/dbraw/zinc/91/94/40/1440919440.db2.gz PCKKWMGIUGCGKY-PBHICJAKSA-N 1 2 331.435 3.022 20 30 EGEDLO CC(C)N(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@H]1C[C@H]1C ZINC001755809878 1440919441 /nfs/dbraw/zinc/91/94/41/1440919441.db2.gz PCKKWMGIUGCGKY-PBHICJAKSA-N 1 2 331.435 3.022 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)C[C@H](C)n1cccc1)C(C)C ZINC001755817029 1440923926 /nfs/dbraw/zinc/92/39/26/1440923926.db2.gz AADOUYZHGLMVKK-INIZCTEOSA-N 1 2 325.884 3.361 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)C[C@H](C)n1cccc1)C(C)C ZINC001755817029 1440923927 /nfs/dbraw/zinc/92/39/27/1440923927.db2.gz AADOUYZHGLMVKK-INIZCTEOSA-N 1 2 325.884 3.361 20 30 EGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H](OCC)c2ccccc2)CC1 ZINC001755899108 1440943529 /nfs/dbraw/zinc/94/35/29/1440943529.db2.gz IJNSDCHWIMCXNZ-SFHVURJKSA-N 1 2 348.874 3.265 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H](OCC)c2ccccc2)CC1 ZINC001755899108 1440943530 /nfs/dbraw/zinc/94/35/30/1440943530.db2.gz IJNSDCHWIMCXNZ-SFHVURJKSA-N 1 2 348.874 3.265 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H](C)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001756482264 1441022841 /nfs/dbraw/zinc/02/28/41/1441022841.db2.gz PLIVVTPMRUMVFF-HOCLYGCPSA-N 1 2 345.487 3.186 20 30 EGEDLO C#C[C@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(C)C ZINC000297633601 202137998 /nfs/dbraw/zinc/13/79/98/202137998.db2.gz CPKIPURUAFNJBI-KRWDZBQOSA-N 1 2 334.423 3.381 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(OC(C)C)c(OC)c2)n1 ZINC000279435065 201317503 /nfs/dbraw/zinc/31/75/03/201317503.db2.gz QTFLOHQMNICPNM-UHFFFAOYSA-N 1 2 341.455 3.334 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(OC(C)C)c(OC)c2)n1 ZINC000279435065 201317505 /nfs/dbraw/zinc/31/75/05/201317505.db2.gz QTFLOHQMNICPNM-UHFFFAOYSA-N 1 2 341.455 3.334 20 30 EGEDLO Cc1cc(-n2cc[nH+]c2)ccc1CSc1nc(N)c(C#N)cc1C#N ZINC000194525223 240615853 /nfs/dbraw/zinc/61/58/53/240615853.db2.gz UWNKJHNYMAGFQL-UHFFFAOYSA-N 1 2 346.419 3.194 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCOC4(CCCCC4)C3)o2)cc1 ZINC000075831798 203324175 /nfs/dbraw/zinc/32/41/75/203324175.db2.gz AMJPFYROPNJPNJ-UHFFFAOYSA-N 1 2 338.411 3.143 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCOC4(CCCCC4)C3)o2)cc1 ZINC000075831798 203324178 /nfs/dbraw/zinc/32/41/78/203324178.db2.gz AMJPFYROPNJPNJ-UHFFFAOYSA-N 1 2 338.411 3.143 20 30 EGEDLO CCc1noc([C@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000104713374 204116932 /nfs/dbraw/zinc/11/69/32/204116932.db2.gz ONERDIPTLNFSNG-ZDUSSCGKSA-N 1 2 326.400 3.108 20 30 EGEDLO COc1cc(C#N)ccc1CNc1ccccc1C[NH+]1CCOCC1 ZINC000157976983 206167013 /nfs/dbraw/zinc/16/70/13/206167013.db2.gz LGNUPJLIMDAOLL-UHFFFAOYSA-N 1 2 337.423 3.011 20 30 EGEDLO C[C@@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1ccc(C#N)cc1 ZINC000266046286 248060765 /nfs/dbraw/zinc/06/07/65/248060765.db2.gz VXXTVBHSRFVOQE-CYBMUJFWSA-N 1 2 325.441 3.075 20 30 EGEDLO C[C@@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1ccc(C#N)cc1 ZINC000266046286 248060768 /nfs/dbraw/zinc/06/07/68/248060768.db2.gz VXXTVBHSRFVOQE-CYBMUJFWSA-N 1 2 325.441 3.075 20 30 EGEDLO Cn1cc(C[N@H+](C)Cc2ccc(F)cc2Br)cc1C#N ZINC000361638426 144341172 /nfs/dbraw/zinc/34/11/72/144341172.db2.gz CDWXRZTZOLMFLG-UHFFFAOYSA-N 1 2 336.208 3.430 20 30 EGEDLO Cn1cc(C[N@@H+](C)Cc2ccc(F)cc2Br)cc1C#N ZINC000361638426 144341173 /nfs/dbraw/zinc/34/11/73/144341173.db2.gz CDWXRZTZOLMFLG-UHFFFAOYSA-N 1 2 336.208 3.430 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1F ZINC000341136032 155181537 /nfs/dbraw/zinc/18/15/37/155181537.db2.gz ZHMURWRNIJHVRA-HNNXBMFYSA-N 1 2 325.391 3.072 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1F ZINC000341136032 155181543 /nfs/dbraw/zinc/18/15/43/155181543.db2.gz ZHMURWRNIJHVRA-HNNXBMFYSA-N 1 2 325.391 3.072 20 30 EGEDLO Cn1cc[nH+]c1[C@H](Nc1nccc(C#N)c1Cl)c1ccc(F)cc1 ZINC000341480231 155316466 /nfs/dbraw/zinc/31/64/66/155316466.db2.gz ZMMHWLSUSYWXPN-OAHLLOKOSA-N 1 2 341.777 3.103 20 30 EGEDLO N#Cc1ccc(NC(=O)C[NH2+][C@H](c2nccs2)c2ccccc2)cc1 ZINC000195046248 153376270 /nfs/dbraw/zinc/37/62/70/153376270.db2.gz IMWMOZTXUDDTFY-SFHVURJKSA-N 1 2 348.431 3.332 20 30 EGEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1ccc(C#N)cc1F ZINC000337477900 154373721 /nfs/dbraw/zinc/37/37/21/154373721.db2.gz ZHCMHGMEOXCLGW-HNNXBMFYSA-N 1 2 339.414 3.349 20 30 EGEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000337477900 154373725 /nfs/dbraw/zinc/37/37/25/154373725.db2.gz ZHCMHGMEOXCLGW-HNNXBMFYSA-N 1 2 339.414 3.349 20 30 EGEDLO CN(CCOCc1ccc(C#N)cc1)c1[nH+]c2cccc(F)c2n1C ZINC000341042769 155128482 /nfs/dbraw/zinc/12/84/82/155128482.db2.gz KQFQOYIXHCOUPX-UHFFFAOYSA-N 1 2 338.386 3.237 20 30 EGEDLO Cc1ccc2ncc(C#N)c(N3CCC([C@@H](O)c4[nH]cc[nH+]4)CC3)c2c1 ZINC000368646668 157251122 /nfs/dbraw/zinc/25/11/22/157251122.db2.gz JYENQHAGARSEHT-LJQANCHMSA-N 1 2 347.422 3.088 20 30 EGEDLO Cc1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)ccc1Cl ZINC000248407873 163001423 /nfs/dbraw/zinc/00/14/23/163001423.db2.gz DPIVTUMDTQECSP-CQSZACIVSA-N 1 2 341.846 3.021 20 30 EGEDLO Cc1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)ccc1Cl ZINC000248407873 163001424 /nfs/dbraw/zinc/00/14/24/163001424.db2.gz DPIVTUMDTQECSP-CQSZACIVSA-N 1 2 341.846 3.021 20 30 EGEDLO C[C@H]1CCC[C@H](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000346062173 164328435 /nfs/dbraw/zinc/32/84/35/164328435.db2.gz XOKZHXTXLIAAPR-PXNSSMCTSA-N 1 2 339.483 3.419 20 30 EGEDLO C[C@@H]1CCC[C@@H](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000346062175 164328498 /nfs/dbraw/zinc/32/84/98/164328498.db2.gz XOKZHXTXLIAAPR-YLJYHZDGSA-N 1 2 339.483 3.419 20 30 EGEDLO Cc1[nH+]c[nH]c1CC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000346162256 164353355 /nfs/dbraw/zinc/35/33/55/164353355.db2.gz YTWGJVHLKRUMPQ-UHFFFAOYSA-N 1 2 346.390 3.350 20 30 EGEDLO N#Cc1cc(NCc2cccc(Cn3cc[nH+]c3)c2)nc2ccccc12 ZINC000346411976 164382697 /nfs/dbraw/zinc/38/26/97/164382697.db2.gz HDVFSWYRBFNARY-UHFFFAOYSA-N 1 2 339.402 3.385 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc(F)c(C#N)c1 ZINC000355611711 166259903 /nfs/dbraw/zinc/25/99/03/166259903.db2.gz VJOBWXIWZZUDCQ-UHFFFAOYSA-N 1 2 344.296 3.272 20 30 EGEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000359881005 287181157 /nfs/dbraw/zinc/18/11/57/287181157.db2.gz SQATZGOAZLBZIL-MSOLQXFVSA-N 1 2 333.863 3.433 20 30 EGEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000359881005 287181158 /nfs/dbraw/zinc/18/11/58/287181158.db2.gz SQATZGOAZLBZIL-MSOLQXFVSA-N 1 2 333.863 3.433 20 30 EGEDLO C[C@@H](c1ccsc1)N1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000360593870 167365262 /nfs/dbraw/zinc/36/52/62/167365262.db2.gz GABQKFNVSMHKBI-INIZCTEOSA-N 1 2 341.480 3.377 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3cnn(-c4ccccc4)c3)CCO2)c1 ZINC000367075397 168176637 /nfs/dbraw/zinc/17/66/37/168176637.db2.gz IVZLKEGQGCNBMS-OAQYLSRUSA-N 1 2 344.418 3.317 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3cnn(-c4ccccc4)c3)CCO2)c1 ZINC000367075397 168176639 /nfs/dbraw/zinc/17/66/39/168176639.db2.gz IVZLKEGQGCNBMS-OAQYLSRUSA-N 1 2 344.418 3.317 20 30 EGEDLO CC(=O)c1ccc2c(c1)C[N@@H+](CCC(=O)Nc1sccc1C#N)C2 ZINC000411925982 270046648 /nfs/dbraw/zinc/04/66/48/270046648.db2.gz OJMZQPWFXALNPD-UHFFFAOYSA-N 1 2 339.420 3.167 20 30 EGEDLO CC(=O)c1ccc2c(c1)C[N@H+](CCC(=O)Nc1sccc1C#N)C2 ZINC000411925982 270046649 /nfs/dbraw/zinc/04/66/49/270046649.db2.gz OJMZQPWFXALNPD-UHFFFAOYSA-N 1 2 339.420 3.167 20 30 EGEDLO CC(C)c1[nH+]c2ccccc2n1Cc1noc(-c2ccc(C#N)[nH]2)n1 ZINC000445661382 270052365 /nfs/dbraw/zinc/05/23/65/270052365.db2.gz FQKBBKORLLRMLI-UHFFFAOYSA-N 1 2 332.367 3.458 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(C#N)cc2C(F)(F)F)n1 ZINC000491352291 270057734 /nfs/dbraw/zinc/05/77/34/270057734.db2.gz YYSUQOIRLHDPJD-UHFFFAOYSA-N 1 2 346.356 3.429 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(C#N)cc2C(F)(F)F)n1 ZINC000491352291 270057735 /nfs/dbraw/zinc/05/77/35/270057735.db2.gz YYSUQOIRLHDPJD-UHFFFAOYSA-N 1 2 346.356 3.429 20 30 EGEDLO CCCCOC1CC[NH+]([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000435042224 267010655 /nfs/dbraw/zinc/01/06/55/267010655.db2.gz LGGPPBPOXYFGPM-GOSISDBHSA-N 1 2 330.428 3.053 20 30 EGEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000455461308 267013739 /nfs/dbraw/zinc/01/37/39/267013739.db2.gz VSTMKACLFLCFNK-HNNXBMFYSA-N 1 2 339.443 3.457 20 30 EGEDLO CCN(CC)c1ccc(CNc2c(C#N)cccc2[N+](=O)[O-])c[nH+]1 ZINC000425209898 267061984 /nfs/dbraw/zinc/06/19/84/267061984.db2.gz SNDDTGAUPNXQDB-UHFFFAOYSA-N 1 2 325.372 3.320 20 30 EGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1ncc(C#N)cc1F ZINC000413173325 267062982 /nfs/dbraw/zinc/06/29/82/267062982.db2.gz QRWZVHBOUGWLQN-UHFFFAOYSA-N 1 2 339.418 3.230 20 30 EGEDLO C[C@@H]1CN(c2ccc(CNc3c(F)cc(C#N)cc3F)c[nH+]2)CCO1 ZINC000299667615 267063023 /nfs/dbraw/zinc/06/30/23/267063023.db2.gz ILYIFJWZNMDKCU-GFCCVEGCSA-N 1 2 344.365 3.069 20 30 EGEDLO CC[N@H+](CCCNC(=O)c1ncc(C#N)cc1Cl)c1ccccc1 ZINC000427940716 267064034 /nfs/dbraw/zinc/06/40/34/267064034.db2.gz XLGSSJQPIPTVNP-UHFFFAOYSA-N 1 2 342.830 3.253 20 30 EGEDLO CC[N@@H+](CCCNC(=O)c1ncc(C#N)cc1Cl)c1ccccc1 ZINC000427940716 267064035 /nfs/dbraw/zinc/06/40/35/267064035.db2.gz XLGSSJQPIPTVNP-UHFFFAOYSA-N 1 2 342.830 3.253 20 30 EGEDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000492412212 267256082 /nfs/dbraw/zinc/25/60/82/267256082.db2.gz VHIBUQDVQDIZCX-AATRIKPKSA-N 1 2 332.310 3.028 20 30 EGEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000454724736 267257598 /nfs/dbraw/zinc/25/75/98/267257598.db2.gz UIYVSZYVBIDTFC-SNVBAGLBSA-N 1 2 349.341 3.259 20 30 EGEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416737040 267257707 /nfs/dbraw/zinc/25/77/07/267257707.db2.gz XWIXYRSSLLGNPJ-DYVFJYSZSA-N 1 2 337.427 3.212 20 30 EGEDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000493578252 267258164 /nfs/dbraw/zinc/25/81/64/267258164.db2.gz AARZJBBPLHWBFG-WAYWQWQTSA-N 1 2 345.200 3.189 20 30 EGEDLO C[C@]12CC[N@H+](CC(=O)Nc3cccc(C#N)c3)C[C@H]1C2(Cl)Cl ZINC000284965675 267267131 /nfs/dbraw/zinc/26/71/31/267267131.db2.gz XKKZCFNTZXEWMJ-HIFRSBDPSA-N 1 2 338.238 3.012 20 30 EGEDLO C[C@]12CC[N@@H+](CC(=O)Nc3cccc(C#N)c3)C[C@H]1C2(Cl)Cl ZINC000284965675 267267135 /nfs/dbraw/zinc/26/71/35/267267135.db2.gz XKKZCFNTZXEWMJ-HIFRSBDPSA-N 1 2 338.238 3.012 20 30 EGEDLO C[N@H+](Cc1cc(F)cc(F)c1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000444703943 267311209 /nfs/dbraw/zinc/31/12/09/267311209.db2.gz KNEXTONMLUDYBY-SFHVURJKSA-N 1 2 341.361 3.074 20 30 EGEDLO C[N@@H+](Cc1cc(F)cc(F)c1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000444703943 267311214 /nfs/dbraw/zinc/31/12/14/267311214.db2.gz KNEXTONMLUDYBY-SFHVURJKSA-N 1 2 341.361 3.074 20 30 EGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1cccc(F)c1C#N ZINC000489040895 267324292 /nfs/dbraw/zinc/32/42/92/267324292.db2.gz KUESOLFKBOURJU-UHFFFAOYSA-N 1 2 348.381 3.214 20 30 EGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1c(C#N)cccc1C#N ZINC000436403435 267325098 /nfs/dbraw/zinc/32/50/98/267325098.db2.gz AOPWWFLUZBNGSD-UHFFFAOYSA-N 1 2 327.391 3.311 20 30 EGEDLO Cc1cc(N2CCN(c3ccc(F)cc3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000301164911 267339819 /nfs/dbraw/zinc/33/98/19/267339819.db2.gz DFXUIBGAYIJITK-UHFFFAOYSA-N 1 2 339.418 3.246 20 30 EGEDLO COC(=O)C[C@@](C)([NH2+]Cc1cccc(F)c1C#N)c1cccc(F)c1 ZINC000428942076 267367643 /nfs/dbraw/zinc/36/76/43/267367643.db2.gz MGXNQZDZVIOKME-LJQANCHMSA-N 1 2 344.361 3.405 20 30 EGEDLO Cc1cc(NCc2cc[nH+]c(N3CCCC3)c2)c(C#N)cc1[N+](=O)[O-] ZINC000413048844 268012461 /nfs/dbraw/zinc/01/24/61/268012461.db2.gz XLRMDHXLGQHSTL-UHFFFAOYSA-N 1 2 337.383 3.382 20 30 EGEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3Cc4cccc(Cl)c4C3)C2=O)cc1 ZINC000287579037 268126810 /nfs/dbraw/zinc/12/68/10/268126810.db2.gz XTFLXFGQISCZKL-SFHVURJKSA-N 1 2 337.810 3.333 20 30 EGEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3Cc4cccc(Cl)c4C3)C2=O)cc1 ZINC000287579037 268126813 /nfs/dbraw/zinc/12/68/13/268126813.db2.gz XTFLXFGQISCZKL-SFHVURJKSA-N 1 2 337.810 3.333 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3ccccn3)o2)cc1 ZINC000530724281 268195823 /nfs/dbraw/zinc/19/58/23/268195823.db2.gz KZOGBXLONSFKQM-QGZVFWFLSA-N 1 2 331.379 3.340 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3ccccn3)o2)cc1 ZINC000530724281 268195827 /nfs/dbraw/zinc/19/58/27/268195827.db2.gz KZOGBXLONSFKQM-QGZVFWFLSA-N 1 2 331.379 3.340 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccc4cc[nH]c4c3)CC2)cc1 ZINC000529520859 268221273 /nfs/dbraw/zinc/22/12/73/268221273.db2.gz PIIAZGMYRIMDJK-UHFFFAOYSA-N 1 2 330.435 3.357 20 30 EGEDLO N#Cc1ccc(CN2CC[NH+](Cc3scnc3C3CC3)CC2)cc1 ZINC000495045077 268221282 /nfs/dbraw/zinc/22/12/82/268221282.db2.gz KPLHDASFLPGWMC-UHFFFAOYSA-N 1 2 338.480 3.210 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3scnc3C3CC3)CC2)cc1 ZINC000495045077 268221284 /nfs/dbraw/zinc/22/12/84/268221284.db2.gz KPLHDASFLPGWMC-UHFFFAOYSA-N 1 2 338.480 3.210 20 30 EGEDLO N#Cc1cccc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000272594507 268229090 /nfs/dbraw/zinc/22/90/90/268229090.db2.gz GKFBGXJGSATJPM-SFHVURJKSA-N 1 2 346.390 3.182 20 30 EGEDLO N#Cc1cccc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000272594507 268229092 /nfs/dbraw/zinc/22/90/92/268229092.db2.gz GKFBGXJGSATJPM-SFHVURJKSA-N 1 2 346.390 3.182 20 30 EGEDLO N#Cc1ccc(N2CCN(c3cc[nH+]c4ccncc43)CC2)c(Cl)c1 ZINC000443973815 268234443 /nfs/dbraw/zinc/23/44/43/268234443.db2.gz QMRCVGQMCHRKLY-UHFFFAOYSA-N 1 2 349.825 3.481 20 30 EGEDLO N#Cc1nc(NC[C@H](c2cccs2)[NH+]2CCOCC2)ccc1Cl ZINC000301173866 268325070 /nfs/dbraw/zinc/32/50/70/268325070.db2.gz YGWDBQSCPRQMTR-CQSZACIVSA-N 1 2 348.859 3.154 20 30 EGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)/C=C/c2cccc(C#N)c2)c1C ZINC000058956808 307350300 /nfs/dbraw/zinc/35/03/00/307350300.db2.gz FGMUHWCRVRQJHA-CMDGGOBGSA-N 1 2 335.407 3.251 20 30 EGEDLO COC(=O)c1cccc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)c1C#N ZINC000535227814 314033635 /nfs/dbraw/zinc/03/36/35/314033635.db2.gz UVDBQNMBTYPEHR-UHFFFAOYSA-N 1 2 348.402 3.340 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)c1C#N ZINC000535227814 314033639 /nfs/dbraw/zinc/03/36/39/314033639.db2.gz UVDBQNMBTYPEHR-UHFFFAOYSA-N 1 2 348.402 3.340 20 30 EGEDLO Cc1cc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c(C)c[nH+]1 ZINC000536575504 314126190 /nfs/dbraw/zinc/12/61/90/314126190.db2.gz WKQYYEMHPQCAOO-UHFFFAOYSA-N 1 2 347.374 3.416 20 30 EGEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1)c1ccc(C#N)c(F)c1 ZINC000540709430 314399032 /nfs/dbraw/zinc/39/90/32/314399032.db2.gz DCPFKGJLHQUSSA-NSHDSACASA-N 1 2 339.349 3.472 20 30 EGEDLO C[C@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc(C#N)c(F)c1 ZINC000540709430 314399036 /nfs/dbraw/zinc/39/90/36/314399036.db2.gz DCPFKGJLHQUSSA-NSHDSACASA-N 1 2 339.349 3.472 20 30 EGEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2SCC#N)CCS1 ZINC000072862618 454354052 /nfs/dbraw/zinc/35/40/52/454354052.db2.gz XQCOKBDNQDCIRB-CYBMUJFWSA-N 1 2 335.498 3.068 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+]2CCc3cc(F)cc(C)c3C2)c1C#N ZINC000554564252 315332957 /nfs/dbraw/zinc/33/29/57/315332957.db2.gz ZXFOTDGWIAQJME-UHFFFAOYSA-N 1 2 338.382 3.351 20 30 EGEDLO COC(=O)c1cccc(C[N@H+]2CCc3cc(F)cc(C)c3C2)c1C#N ZINC000554564252 315332959 /nfs/dbraw/zinc/33/29/59/315332959.db2.gz ZXFOTDGWIAQJME-UHFFFAOYSA-N 1 2 338.382 3.351 20 30 EGEDLO Cc1csc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1C#N ZINC000564095918 316112972 /nfs/dbraw/zinc/11/29/72/316112972.db2.gz ABKWLSUNRXVICT-UHFFFAOYSA-N 1 2 346.481 3.339 20 30 EGEDLO COC(=O)c1ccc(Nc2ccc([NH+]3CCCC3)cc2C)c(C#N)n1 ZINC000565664264 316353677 /nfs/dbraw/zinc/35/36/77/316353677.db2.gz AEQSSRKVPXJYIG-UHFFFAOYSA-N 1 2 336.395 3.392 20 30 EGEDLO Cc1cc(N[C@H](c2cncc(Br)c2)C2CC2)c(C#N)c[nH+]1 ZINC000569449476 316916826 /nfs/dbraw/zinc/91/68/26/316916826.db2.gz DTXSLEHGFFTNQR-INIZCTEOSA-N 1 2 343.228 3.404 20 30 EGEDLO CC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)C(F)(F)F ZINC000189508264 455209875 /nfs/dbraw/zinc/20/98/75/455209875.db2.gz RYDDMBKGQOHUQQ-CYBMUJFWSA-N 1 2 339.279 3.302 20 30 EGEDLO CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)C(F)(F)F ZINC000189508264 455209879 /nfs/dbraw/zinc/20/98/79/455209879.db2.gz RYDDMBKGQOHUQQ-CYBMUJFWSA-N 1 2 339.279 3.302 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000183960450 323636456 /nfs/dbraw/zinc/63/64/56/323636456.db2.gz MSYGEJKKWAXNDF-OAHLLOKOSA-N 1 2 337.398 3.216 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNc1cccc(-n3cccn3)c1C#N)CCC2 ZINC000579494282 325118917 /nfs/dbraw/zinc/11/89/17/325118917.db2.gz JFNXNJZJFDGUAD-HNNXBMFYSA-N 1 2 332.411 3.238 20 30 EGEDLO Cc1cc(Cl)c2ncc(C#N)c(N[C@@H](C)C[NH+]3CCOCC3)c2c1 ZINC000583215965 325505453 /nfs/dbraw/zinc/50/54/53/325505453.db2.gz GZOAMBUWXPUIEG-ZDUSSCGKSA-N 1 2 344.846 3.201 20 30 EGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NCC(F)(F)F ZINC000355700933 457403981 /nfs/dbraw/zinc/40/39/81/457403981.db2.gz HCGIGXBUFUZNMP-VIFPVBQESA-N 1 2 340.798 3.457 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NCC(F)(F)F ZINC000355700933 457403989 /nfs/dbraw/zinc/40/39/89/457403989.db2.gz HCGIGXBUFUZNMP-VIFPVBQESA-N 1 2 340.798 3.457 20 30 EGEDLO C#C[C@H](CC)[NH2+]Cc1c(Br)cncc1Br ZINC000380212783 457418989 /nfs/dbraw/zinc/41/89/89/457418989.db2.gz ZVKXUSISVOWNTL-MRVPVSSYSA-N 1 2 332.039 3.108 20 30 EGEDLO C[C@]1(C#N)CCC[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000612165483 460557507 /nfs/dbraw/zinc/55/75/07/460557507.db2.gz NFPGHNWYYLMHMI-HXUWFJFHSA-N 1 2 325.456 3.438 20 30 EGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000612165483 460557513 /nfs/dbraw/zinc/55/75/13/460557513.db2.gz NFPGHNWYYLMHMI-HXUWFJFHSA-N 1 2 325.456 3.438 20 30 EGEDLO C=CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(Cl)s1 ZINC000008164433 453170133 /nfs/dbraw/zinc/17/01/33/453170133.db2.gz LUFQFHJANWEYTD-INIZCTEOSA-N 1 2 337.876 3.198 20 30 EGEDLO C=CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(Cl)s1 ZINC000008164433 453170138 /nfs/dbraw/zinc/17/01/38/453170138.db2.gz LUFQFHJANWEYTD-INIZCTEOSA-N 1 2 337.876 3.198 20 30 EGEDLO COC(=O)C1CCN(c2ccc(-c3ccc(C)cc3C#N)c[nH+]2)CC1 ZINC000600777162 460599357 /nfs/dbraw/zinc/59/93/57/460599357.db2.gz PMKPRCHWLIDKBX-UHFFFAOYSA-N 1 2 335.407 3.318 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000014116090 453507889 /nfs/dbraw/zinc/50/78/89/453507889.db2.gz YLQGQUFKZHOZRA-NSHDSACASA-N 1 2 345.752 3.424 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000014116090 453507898 /nfs/dbraw/zinc/50/78/98/453507898.db2.gz YLQGQUFKZHOZRA-NSHDSACASA-N 1 2 345.752 3.424 20 30 EGEDLO COc1ccccc1C[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000016563972 453611556 /nfs/dbraw/zinc/61/15/56/453611556.db2.gz SRSYJJUPAUOBLS-UHFFFAOYSA-N 1 2 343.814 3.291 20 30 EGEDLO COc1ccccc1C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000016563972 453611560 /nfs/dbraw/zinc/61/15/60/453611560.db2.gz SRSYJJUPAUOBLS-UHFFFAOYSA-N 1 2 343.814 3.291 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000023992387 453721767 /nfs/dbraw/zinc/72/17/67/453721767.db2.gz HJHOAPVGWAXOMD-WCQYABFASA-N 1 2 325.334 3.160 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000023992387 453721768 /nfs/dbraw/zinc/72/17/68/453721768.db2.gz HJHOAPVGWAXOMD-WCQYABFASA-N 1 2 325.334 3.160 20 30 EGEDLO CCOc1ccc(C[N@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000025948686 453790691 /nfs/dbraw/zinc/79/06/91/453790691.db2.gz OHBOIKUVWLZUTQ-UHFFFAOYSA-N 1 2 341.411 3.237 20 30 EGEDLO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000025948686 453790694 /nfs/dbraw/zinc/79/06/94/453790694.db2.gz OHBOIKUVWLZUTQ-UHFFFAOYSA-N 1 2 341.411 3.237 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1cc(OC)cc(OC)c1)Cc1ccccc1 ZINC000027775515 453820551 /nfs/dbraw/zinc/82/05/51/453820551.db2.gz STUQKNNVWKPJAH-UHFFFAOYSA-N 1 2 340.423 3.331 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1cc(OC)cc(OC)c1)Cc1ccccc1 ZINC000027775515 453820552 /nfs/dbraw/zinc/82/05/52/453820552.db2.gz STUQKNNVWKPJAH-UHFFFAOYSA-N 1 2 340.423 3.331 20 30 EGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(C#N)cc3)n2)C1 ZINC000028683107 453824151 /nfs/dbraw/zinc/82/41/51/453824151.db2.gz NKPBPPVZPHZCJD-CYBMUJFWSA-N 1 2 340.452 3.499 20 30 EGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(C#N)cc3)n2)C1 ZINC000028683107 453824152 /nfs/dbraw/zinc/82/41/52/453824152.db2.gz NKPBPPVZPHZCJD-CYBMUJFWSA-N 1 2 340.452 3.499 20 30 EGEDLO C[C@H]1c2ccsc2CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512377 453879766 /nfs/dbraw/zinc/87/97/66/453879766.db2.gz KGQTZKSSBUTLFT-ZDUSSCGKSA-N 1 2 346.477 3.013 20 30 EGEDLO C[C@H]1c2ccsc2CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512377 453879770 /nfs/dbraw/zinc/87/97/70/453879770.db2.gz KGQTZKSSBUTLFT-ZDUSSCGKSA-N 1 2 346.477 3.013 20 30 EGEDLO Cc1ccc([C@H](C)[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000081512581 453880075 /nfs/dbraw/zinc/88/00/75/453880075.db2.gz PDTYUPFWYZCGCW-INIZCTEOSA-N 1 2 342.464 3.333 20 30 EGEDLO Cc1ccc([C@H](C)[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000081512581 453880079 /nfs/dbraw/zinc/88/00/79/453880079.db2.gz PDTYUPFWYZCGCW-INIZCTEOSA-N 1 2 342.464 3.333 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+](CCC)CC(=O)Nc1ccccc1C ZINC000066865286 453881758 /nfs/dbraw/zinc/88/17/58/453881758.db2.gz AAJQFKXNDYDLAI-UHFFFAOYSA-N 1 2 345.487 3.070 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CCC)CC(=O)Nc1ccccc1C ZINC000066865286 453881761 /nfs/dbraw/zinc/88/17/61/453881761.db2.gz AAJQFKXNDYDLAI-UHFFFAOYSA-N 1 2 345.487 3.070 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccccc1F ZINC000054008097 453904937 /nfs/dbraw/zinc/90/49/37/453904937.db2.gz KZFFNYDBQXXXHU-QGZVFWFLSA-N 1 2 349.369 3.342 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1cccc(C#N)c1)c1cccc(F)c1 ZINC000054008095 453905306 /nfs/dbraw/zinc/90/53/06/453905306.db2.gz JRYHCJGXRHTHBR-QGZVFWFLSA-N 1 2 349.369 3.342 20 30 EGEDLO CCCCN(CC)C(=O)C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000076152578 453972582 /nfs/dbraw/zinc/97/25/82/453972582.db2.gz VTNCCNDXPOSALF-OALUTQOASA-N 1 2 327.472 3.407 20 30 EGEDLO CCCCN(CC)C(=O)C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000076152578 453972583 /nfs/dbraw/zinc/97/25/83/453972583.db2.gz VTNCCNDXPOSALF-OALUTQOASA-N 1 2 327.472 3.407 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000042251143 454003024 /nfs/dbraw/zinc/00/30/24/454003024.db2.gz GBSHVMWLBYAZGE-MRXNPFEDSA-N 1 2 347.890 3.051 20 30 EGEDLO CCOc1ccc(C#N)cc1NC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000056745564 454077932 /nfs/dbraw/zinc/07/79/32/454077932.db2.gz NXHRTJAOCRNTLO-UHFFFAOYSA-N 1 2 349.394 3.235 20 30 EGEDLO N#CCSCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044568037 454106610 /nfs/dbraw/zinc/10/66/10/454106610.db2.gz DMLZFPLYZXDZAL-UHFFFAOYSA-N 1 2 326.425 3.082 20 30 EGEDLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C#N)CC1)c1cc2ccccc2o1 ZINC000057877036 454153906 /nfs/dbraw/zinc/15/39/06/454153906.db2.gz JSSBXHZKNCELAG-KGLIPLIRSA-N 1 2 325.412 3.234 20 30 EGEDLO C=CC[N@H+](Cc1csc(C)n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000095399078 454202763 /nfs/dbraw/zinc/20/27/63/454202763.db2.gz QDQYCIAKYZZJIR-CYBMUJFWSA-N 1 2 340.456 3.176 20 30 EGEDLO C=CC[N@@H+](Cc1csc(C)n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000095399078 454202767 /nfs/dbraw/zinc/20/27/67/454202767.db2.gz QDQYCIAKYZZJIR-CYBMUJFWSA-N 1 2 340.456 3.176 20 30 EGEDLO Cc1ccc(C#N)cc1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000058453015 454205728 /nfs/dbraw/zinc/20/57/28/454205728.db2.gz XVXBPQCSHJLSEJ-UHFFFAOYSA-N 1 2 345.406 3.433 20 30 EGEDLO C[C@H](c1ccccc1)[N@H+](CC#Cc1cccc(Cl)c1)CC(N)=O ZINC000131020883 454232230 /nfs/dbraw/zinc/23/22/30/454232230.db2.gz MQABVBAWOHPJAH-OAHLLOKOSA-N 1 2 326.827 3.240 20 30 EGEDLO C[C@H](c1ccccc1)[N@@H+](CC#Cc1cccc(Cl)c1)CC(N)=O ZINC000131020883 454232234 /nfs/dbraw/zinc/23/22/34/454232234.db2.gz MQABVBAWOHPJAH-OAHLLOKOSA-N 1 2 326.827 3.240 20 30 EGEDLO CC(C)Oc1cccc(C[N@H+](C)CC(=O)Nc2sccc2C#N)c1 ZINC000120548456 454317706 /nfs/dbraw/zinc/31/77/06/454317706.db2.gz ZUBGKYRCIWCJMU-UHFFFAOYSA-N 1 2 343.452 3.477 20 30 EGEDLO CC(C)Oc1cccc(C[N@@H+](C)CC(=O)Nc2sccc2C#N)c1 ZINC000120548456 454317709 /nfs/dbraw/zinc/31/77/09/454317709.db2.gz ZUBGKYRCIWCJMU-UHFFFAOYSA-N 1 2 343.452 3.477 20 30 EGEDLO N#CC1(NC(=O)C[N@H+]2CCc3ccc(Cl)cc3C2)CCCCC1 ZINC000090612236 454327110 /nfs/dbraw/zinc/32/71/10/454327110.db2.gz BUTVIKINBSIHBO-UHFFFAOYSA-N 1 2 331.847 3.041 20 30 EGEDLO N#CC1(NC(=O)C[N@@H+]2CCc3ccc(Cl)cc3C2)CCCCC1 ZINC000090612236 454327114 /nfs/dbraw/zinc/32/71/14/454327114.db2.gz BUTVIKINBSIHBO-UHFFFAOYSA-N 1 2 331.847 3.041 20 30 EGEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2ccccc2SCC#N)CCS1 ZINC000072862618 454354050 /nfs/dbraw/zinc/35/40/50/454354050.db2.gz XQCOKBDNQDCIRB-CYBMUJFWSA-N 1 2 335.498 3.068 20 30 EGEDLO N#CCCN(C(=O)C[N@@H+]1CCc2ccsc2C1)c1ccccc1 ZINC000132843049 454370215 /nfs/dbraw/zinc/37/02/15/454370215.db2.gz PBFNVGVWOPUFAD-UHFFFAOYSA-N 1 2 325.437 3.053 20 30 EGEDLO N#CCCN(C(=O)C[N@H+]1CCc2ccsc2C1)c1ccccc1 ZINC000132843049 454370216 /nfs/dbraw/zinc/37/02/16/454370216.db2.gz PBFNVGVWOPUFAD-UHFFFAOYSA-N 1 2 325.437 3.053 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000121489475 454441662 /nfs/dbraw/zinc/44/16/62/454441662.db2.gz PYANBUDHLFYKNG-INIZCTEOSA-N 1 2 334.485 3.006 20 30 EGEDLO N#Cc1ccc(CCC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000048372990 454482593 /nfs/dbraw/zinc/48/25/93/454482593.db2.gz OODUGXYNAGSPPR-UHFFFAOYSA-N 1 2 348.450 3.193 20 30 EGEDLO C[N@H+](CC(=O)Nc1nncs1)Cc1csc(Br)c1 ZINC000049001644 454528091 /nfs/dbraw/zinc/52/80/91/454528091.db2.gz SZBVURUDKQBECO-UHFFFAOYSA-N 1 2 347.263 3.082 20 30 EGEDLO C[N@@H+](CC(=O)Nc1nncs1)Cc1csc(Br)c1 ZINC000049001644 454528095 /nfs/dbraw/zinc/52/80/95/454528095.db2.gz SZBVURUDKQBECO-UHFFFAOYSA-N 1 2 347.263 3.082 20 30 EGEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000080906017 454645501 /nfs/dbraw/zinc/64/55/01/454645501.db2.gz QLUMPARCBNCVRM-LJQANCHMSA-N 1 2 327.378 3.347 20 30 EGEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cc(Cl)cc(Cl)c1 ZINC000052070685 454651496 /nfs/dbraw/zinc/65/14/96/454651496.db2.gz LHQNZEPBGFFUNM-INIZCTEOSA-N 1 2 340.254 3.234 20 30 EGEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cc(Cl)cc(Cl)c1 ZINC000052070685 454651500 /nfs/dbraw/zinc/65/15/00/454651500.db2.gz LHQNZEPBGFFUNM-INIZCTEOSA-N 1 2 340.254 3.234 20 30 EGEDLO Cc1nnc(NCc2ccc(N3CCCCCC3)[nH+]c2)c(C#N)c1C ZINC000052334440 454668898 /nfs/dbraw/zinc/66/88/98/454668898.db2.gz LIXWVRPBQGWXGX-UHFFFAOYSA-N 1 2 336.443 3.353 20 30 EGEDLO C=CCCO[C@H](C)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000066320479 454684259 /nfs/dbraw/zinc/68/42/59/454684259.db2.gz ASHHHYZYXCSFDG-CQSZACIVSA-N 1 2 337.489 3.295 20 30 EGEDLO CC[C@]1(C)C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CCO1 ZINC000135585793 454691743 /nfs/dbraw/zinc/69/17/43/454691743.db2.gz UCNHTHGERRFRQQ-GOSISDBHSA-N 1 2 349.862 3.088 20 30 EGEDLO CC[C@]1(C)C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CCO1 ZINC000135585793 454691745 /nfs/dbraw/zinc/69/17/45/454691745.db2.gz UCNHTHGERRFRQQ-GOSISDBHSA-N 1 2 349.862 3.088 20 30 EGEDLO COc1ccc(OCCC[N@H+](CCC#N)Cc2ccccn2)cc1 ZINC000081160316 454692799 /nfs/dbraw/zinc/69/27/99/454692799.db2.gz MYTCYIWGGSNCSA-UHFFFAOYSA-N 1 2 325.412 3.275 20 30 EGEDLO COc1ccc(OCCC[N@@H+](CCC#N)Cc2ccccn2)cc1 ZINC000081160316 454692803 /nfs/dbraw/zinc/69/28/03/454692803.db2.gz MYTCYIWGGSNCSA-UHFFFAOYSA-N 1 2 325.412 3.275 20 30 EGEDLO N#CC1(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CCCC1 ZINC000107181056 454745967 /nfs/dbraw/zinc/74/59/67/454745967.db2.gz XRMMEPFRXMSVJR-UHFFFAOYSA-N 1 2 326.444 3.162 20 30 EGEDLO COc1ccc(C[NH2+][C@@H](C)c2noc(-c3ccccc3)n2)cc1C#N ZINC000153141129 454763977 /nfs/dbraw/zinc/76/39/77/454763977.db2.gz UYZPHFHIOKKTCD-ZDUSSCGKSA-N 1 2 334.379 3.468 20 30 EGEDLO CCOc1cccc(/C=[NH+]/CCc2cccc(C(=O)N(C)C)c2)c1O ZINC000125170208 454801895 /nfs/dbraw/zinc/80/18/95/454801895.db2.gz PMYBMLVJCGMHRR-KGENOOAVSA-N 1 2 340.423 3.154 20 30 EGEDLO CC(C)OC(=O)Cc1nc(C[N@H+](C)Cc2cccc(C#N)c2)cs1 ZINC000139141575 454802360 /nfs/dbraw/zinc/80/23/60/454802360.db2.gz DBKZUHFEBWMWMR-UHFFFAOYSA-N 1 2 343.452 3.141 20 30 EGEDLO CC(C)OC(=O)Cc1nc(C[N@@H+](C)Cc2cccc(C#N)c2)cs1 ZINC000139141575 454802365 /nfs/dbraw/zinc/80/23/65/454802365.db2.gz DBKZUHFEBWMWMR-UHFFFAOYSA-N 1 2 343.452 3.141 20 30 EGEDLO Cc1ccc(NC(=O)NC(=O)C[N@H+](CCC#N)CC(C)(C)C)c(C)c1 ZINC000109812675 454838253 /nfs/dbraw/zinc/83/82/53/454838253.db2.gz BHCCFWACMYTVLJ-UHFFFAOYSA-N 1 2 344.459 3.213 20 30 EGEDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+](CCC#N)CC(C)(C)C)c(C)c1 ZINC000109812675 454838257 /nfs/dbraw/zinc/83/82/57/454838257.db2.gz BHCCFWACMYTVLJ-UHFFFAOYSA-N 1 2 344.459 3.213 20 30 EGEDLO COc1ccc(CN(C)C(=O)C[N@H+](CCC#N)CC(C)(C)C)cc1F ZINC000111250954 454859408 /nfs/dbraw/zinc/85/94/08/454859408.db2.gz PROXOEJAPWGQSP-UHFFFAOYSA-N 1 2 349.450 3.054 20 30 EGEDLO COc1ccc(CN(C)C(=O)C[N@@H+](CCC#N)CC(C)(C)C)cc1F ZINC000111250954 454859412 /nfs/dbraw/zinc/85/94/12/454859412.db2.gz PROXOEJAPWGQSP-UHFFFAOYSA-N 1 2 349.450 3.054 20 30 EGEDLO C[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2)C[C@@H](c2ccsc2)O1 ZINC000246430186 455489081 /nfs/dbraw/zinc/48/90/81/455489081.db2.gz KGBRWLWFLJEDRC-KDOFPFPSSA-N 1 2 328.437 3.461 20 30 EGEDLO C[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2)C[C@@H](c2ccsc2)O1 ZINC000246430186 455489086 /nfs/dbraw/zinc/48/90/86/455489086.db2.gz KGBRWLWFLJEDRC-KDOFPFPSSA-N 1 2 328.437 3.461 20 30 EGEDLO CC[C@@H](C#N)Sc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000126998371 454931109 /nfs/dbraw/zinc/93/11/09/454931109.db2.gz XMQJKLGKAGXSRK-RISCZKNCSA-N 1 2 333.436 3.423 20 30 EGEDLO C=CCc1cc(C[N@H+](C)Cc2nccn2C(F)F)cc(OC)c1O ZINC000154988815 454951374 /nfs/dbraw/zinc/95/13/74/454951374.db2.gz XOLOMLXZWPQLEN-UHFFFAOYSA-N 1 2 337.370 3.353 20 30 EGEDLO C=CCc1cc(C[N@@H+](C)Cc2nccn2C(F)F)cc(OC)c1O ZINC000154988815 454951378 /nfs/dbraw/zinc/95/13/78/454951378.db2.gz XOLOMLXZWPQLEN-UHFFFAOYSA-N 1 2 337.370 3.353 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)s1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000128309015 455044874 /nfs/dbraw/zinc/04/48/74/455044874.db2.gz HPZTWKKGRFRAKC-KRWDZBQOSA-N 1 2 325.437 3.247 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000128309015 455044876 /nfs/dbraw/zinc/04/48/76/455044876.db2.gz HPZTWKKGRFRAKC-KRWDZBQOSA-N 1 2 325.437 3.247 20 30 EGEDLO C=CCCC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000179789307 455079328 /nfs/dbraw/zinc/07/93/28/455079328.db2.gz DGLRBAJTUWVVEL-CYBMUJFWSA-N 1 2 328.372 3.255 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+](Cc2cccnc2)C2CC2)c(C#N)c1C ZINC000180271712 455153737 /nfs/dbraw/zinc/15/37/37/455153737.db2.gz IYWOQHUEDUEXDQ-UHFFFAOYSA-N 1 2 340.452 3.235 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+](Cc2cccnc2)C2CC2)c(C#N)c1C ZINC000180271712 455153739 /nfs/dbraw/zinc/15/37/39/455153739.db2.gz IYWOQHUEDUEXDQ-UHFFFAOYSA-N 1 2 340.452 3.235 20 30 EGEDLO Cc1nc(N2CC[NH+](Cc3cc(C#N)ccc3F)CC2)sc1C ZINC000157474357 455198385 /nfs/dbraw/zinc/19/83/85/455198385.db2.gz KIPVUIXUFAQLEZ-UHFFFAOYSA-N 1 2 330.432 3.093 20 30 EGEDLO CC[N@@H+](CC(=O)N(Cc1ccco1)Cc1ccccc1)C[C@H](C)C#N ZINC000157643978 455216720 /nfs/dbraw/zinc/21/67/20/455216720.db2.gz OJDNNEXKEJCMGZ-QGZVFWFLSA-N 1 2 339.439 3.290 20 30 EGEDLO CC[N@H+](CC(=O)N(Cc1ccco1)Cc1ccccc1)C[C@H](C)C#N ZINC000157643978 455216722 /nfs/dbraw/zinc/21/67/22/455216722.db2.gz OJDNNEXKEJCMGZ-QGZVFWFLSA-N 1 2 339.439 3.290 20 30 EGEDLO Cc1cc(C#N)ccc1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000160465120 455462710 /nfs/dbraw/zinc/46/27/10/455462710.db2.gz JUUIXFKDOITDPB-UHFFFAOYSA-N 1 2 344.418 3.084 20 30 EGEDLO C#CCOc1ccc(C[NH+]2CCN([C@@H](C)c3nccs3)CC2)cc1 ZINC000185617266 455585946 /nfs/dbraw/zinc/58/59/46/455585946.db2.gz IQSAEYOTFWKLKX-INIZCTEOSA-N 1 2 341.480 3.034 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000247639633 455632630 /nfs/dbraw/zinc/63/26/30/455632630.db2.gz GKJSCTKSELXNOO-UHFFFAOYSA-N 1 2 337.398 3.045 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000247639633 455632634 /nfs/dbraw/zinc/63/26/34/455632634.db2.gz GKJSCTKSELXNOO-UHFFFAOYSA-N 1 2 337.398 3.045 20 30 EGEDLO COc1cccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c1F ZINC000192933563 455720290 /nfs/dbraw/zinc/72/02/90/455720290.db2.gz HYTDWTSZDDLAHZ-GOSISDBHSA-N 1 2 339.414 3.217 20 30 EGEDLO COc1cc[nH+]cc1CNC(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000292765238 455751723 /nfs/dbraw/zinc/75/17/23/455751723.db2.gz SQCCGUSVKXQELG-UHFFFAOYSA-N 1 2 340.383 3.071 20 30 EGEDLO C[C@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1ccc(OCC#N)cc1 ZINC000271892477 455798388 /nfs/dbraw/zinc/79/83/88/455798388.db2.gz SHECMKOOKXGKAB-SJCJKPOMSA-N 1 2 332.350 3.251 20 30 EGEDLO C#CCOc1ccc(C[N@@H+]2CCSC[C@@H]2c2nccs2)cc1 ZINC000186630073 455807951 /nfs/dbraw/zinc/80/79/51/455807951.db2.gz IPIAWIBTUJIELP-MRXNPFEDSA-N 1 2 330.478 3.445 20 30 EGEDLO C#CCOc1ccc(C[N@H+]2CCSC[C@@H]2c2nccs2)cc1 ZINC000186630073 455807955 /nfs/dbraw/zinc/80/79/55/455807955.db2.gz IPIAWIBTUJIELP-MRXNPFEDSA-N 1 2 330.478 3.445 20 30 EGEDLO C#C[C@H](NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000294207258 455808695 /nfs/dbraw/zinc/80/86/95/455808695.db2.gz LWLUMJCDCRZVTJ-BQFCYCMXSA-N 1 2 343.471 3.075 20 30 EGEDLO C=CC(C)(C)C(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000294438864 455815978 /nfs/dbraw/zinc/81/59/78/455815978.db2.gz LIWJZCSMGLHKMM-UHFFFAOYSA-N 1 2 335.451 3.473 20 30 EGEDLO Cc1ncsc1C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000278750731 455847247 /nfs/dbraw/zinc/84/72/47/455847247.db2.gz SEDACMYFWHOLJL-UHFFFAOYSA-N 1 2 332.860 3.299 20 30 EGEDLO Cc1cc(NC(=O)N2CC(C)(C#N)C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000285492764 455857218 /nfs/dbraw/zinc/85/72/18/455857218.db2.gz ODAURXNUYMUGCA-AWEZNQCLSA-N 1 2 327.432 3.146 20 30 EGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000279755279 455872512 /nfs/dbraw/zinc/87/25/12/455872512.db2.gz LUUXXRVMEMFILI-FUHWJXTLSA-N 1 2 343.471 3.069 20 30 EGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000279755279 455872517 /nfs/dbraw/zinc/87/25/17/455872517.db2.gz LUUXXRVMEMFILI-FUHWJXTLSA-N 1 2 343.471 3.069 20 30 EGEDLO Cc1cc(N(CCC#N)C(=O)C[NH+]2CCC(C#N)CC2)ccc1Cl ZINC000195313028 455944157 /nfs/dbraw/zinc/94/41/57/455944157.db2.gz CAEZCLDAVWKHFH-UHFFFAOYSA-N 1 2 344.846 3.131 20 30 EGEDLO COC(=O)c1nc([C@H]2CCC[N@@H+]2Cc2cccc(C#N)c2)sc1C ZINC000280449756 455974427 /nfs/dbraw/zinc/97/44/27/455974427.db2.gz NNXCRXAMKLPHGY-OAHLLOKOSA-N 1 2 341.436 3.447 20 30 EGEDLO COC(=O)c1nc([C@H]2CCC[N@H+]2Cc2cccc(C#N)c2)sc1C ZINC000280449756 455974432 /nfs/dbraw/zinc/97/44/32/455974432.db2.gz NNXCRXAMKLPHGY-OAHLLOKOSA-N 1 2 341.436 3.447 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000188385283 456054069 /nfs/dbraw/zinc/05/40/69/456054069.db2.gz XWEWMTWCALCXLH-LJQANCHMSA-N 1 2 327.428 3.468 20 30 EGEDLO CC(C)Oc1cc[nH+]cc1COC(=O)c1ccccc1OCC#N ZINC000287014324 456059782 /nfs/dbraw/zinc/05/97/82/456059782.db2.gz QNDXZJQLFGQFIJ-UHFFFAOYSA-N 1 2 326.352 3.128 20 30 EGEDLO N#Cc1cc(Br)ccc1C[NH2+][C@H](CCO)c1ccco1 ZINC000287588599 456073682 /nfs/dbraw/zinc/07/36/82/456073682.db2.gz CQZRJMQZODYEHA-CQSZACIVSA-N 1 2 335.201 3.127 20 30 EGEDLO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1C#N)c1c(F)cccc1F ZINC000301303020 456085935 /nfs/dbraw/zinc/08/59/35/456085935.db2.gz SCOCHRSNCGEMBX-MRXNPFEDSA-N 1 2 346.337 3.459 20 30 EGEDLO Cc1cc(C)c2ncc(C#N)c(N3CCN(c4cccc[nH+]4)CC3)c2c1 ZINC000301374950 456101284 /nfs/dbraw/zinc/10/12/84/456101284.db2.gz XCLWGOCCVJTZST-UHFFFAOYSA-N 1 2 343.434 3.445 20 30 EGEDLO CC(C)(C#N)c1ccc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)cc1 ZINC000288998407 456111960 /nfs/dbraw/zinc/11/19/60/456111960.db2.gz JNIMCMIGCOOZDU-INIZCTEOSA-N 1 2 338.411 3.073 20 30 EGEDLO CC(C)(C#N)c1ccc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)cc1 ZINC000288998407 456111968 /nfs/dbraw/zinc/11/19/68/456111968.db2.gz JNIMCMIGCOOZDU-INIZCTEOSA-N 1 2 338.411 3.073 20 30 EGEDLO CC1(C)C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H]1[C@@H]1CCCO1 ZINC000289370849 456123410 /nfs/dbraw/zinc/12/34/10/456123410.db2.gz AVCPGUCQCSIZFP-DOTOQJQBSA-N 1 2 347.846 3.040 20 30 EGEDLO CC1(C)C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H]1[C@@H]1CCCO1 ZINC000289370849 456123415 /nfs/dbraw/zinc/12/34/15/456123415.db2.gz AVCPGUCQCSIZFP-DOTOQJQBSA-N 1 2 347.846 3.040 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)c2ncc(-c3ccccc3)o2)C1=O ZINC000281375342 456217607 /nfs/dbraw/zinc/21/76/07/456217607.db2.gz OTUYWNKXMPJRJU-HOCLYGCPSA-N 1 2 325.412 3.121 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)c2ncc(-c3ccccc3)o2)C1=O ZINC000281375342 456217612 /nfs/dbraw/zinc/21/76/12/456217612.db2.gz OTUYWNKXMPJRJU-HOCLYGCPSA-N 1 2 325.412 3.121 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000352815031 456331607 /nfs/dbraw/zinc/33/16/07/456331607.db2.gz KSHPUSFCCNXHNS-MRXNPFEDSA-N 1 2 336.476 3.184 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000352815031 456331614 /nfs/dbraw/zinc/33/16/14/456331614.db2.gz KSHPUSFCCNXHNS-MRXNPFEDSA-N 1 2 336.476 3.184 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000352814679 456331858 /nfs/dbraw/zinc/33/18/58/456331858.db2.gz HXGDQBGDZGYYSH-ZDUSSCGKSA-N 1 2 333.384 3.291 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000352814679 456331865 /nfs/dbraw/zinc/33/18/65/456331865.db2.gz HXGDQBGDZGYYSH-ZDUSSCGKSA-N 1 2 333.384 3.291 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[N@H+](CCCCC#N)[C@H](c2cccnc2)C1 ZINC000282069505 456405806 /nfs/dbraw/zinc/40/58/06/456405806.db2.gz NDAOXFZFHYCATL-KRWDZBQOSA-N 1 2 344.459 3.369 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[N@@H+](CCCCC#N)[C@H](c2cccnc2)C1 ZINC000282069505 456405809 /nfs/dbraw/zinc/40/58/09/456405809.db2.gz NDAOXFZFHYCATL-KRWDZBQOSA-N 1 2 344.459 3.369 20 30 EGEDLO N#Cc1c(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)n[nH]c1C1CC1 ZINC000290745167 456419496 /nfs/dbraw/zinc/41/94/96/456419496.db2.gz ZBCNLONKAMVJOJ-KRWDZBQOSA-N 1 2 349.438 3.152 20 30 EGEDLO N#Cc1c(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)n[nH]c1C1CC1 ZINC000290745167 456419502 /nfs/dbraw/zinc/41/95/02/456419502.db2.gz ZBCNLONKAMVJOJ-KRWDZBQOSA-N 1 2 349.438 3.152 20 30 EGEDLO COCC1(C#N)CCN(c2[nH+]cccc2OCc2ccccc2)CC1 ZINC000343138014 456428747 /nfs/dbraw/zinc/42/87/47/456428747.db2.gz GILAVBBNQLVIOS-UHFFFAOYSA-N 1 2 337.423 3.417 20 30 EGEDLO C#CCCOc1ccc(C[NH2+][C@@H](C)c2noc(COC(C)C)n2)cc1 ZINC000290785959 456428901 /nfs/dbraw/zinc/42/89/01/456428901.db2.gz DFJQLDZDQVWHMY-HNNXBMFYSA-N 1 2 343.427 3.248 20 30 EGEDLO CCCCCCCCC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000298360295 456435562 /nfs/dbraw/zinc/43/55/62/456435562.db2.gz KPHIKUYVMBKNOV-UHFFFAOYSA-N 1 2 333.476 3.285 20 30 EGEDLO N#Cc1cc(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)ccc1F ZINC000343171496 456451510 /nfs/dbraw/zinc/45/15/10/456451510.db2.gz CCEOBAGRYAJABZ-UHFFFAOYSA-N 1 2 349.369 3.264 20 30 EGEDLO CC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccncc1 ZINC000348068898 456454401 /nfs/dbraw/zinc/45/44/01/456454401.db2.gz HPPUDKXIEFVOCD-UHFFFAOYSA-N 1 2 328.803 3.067 20 30 EGEDLO CC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccncc1 ZINC000348068898 456454406 /nfs/dbraw/zinc/45/44/06/456454406.db2.gz HPPUDKXIEFVOCD-UHFFFAOYSA-N 1 2 328.803 3.067 20 30 EGEDLO C=C[C@@](C)(O)CC(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000290937721 456473485 /nfs/dbraw/zinc/47/34/85/456473485.db2.gz ZHRSVVBSALUDSV-GOSISDBHSA-N 1 2 345.468 3.041 20 30 EGEDLO C=C[C@@](C)(O)CC(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000290937721 456473489 /nfs/dbraw/zinc/47/34/89/456473489.db2.gz ZHRSVVBSALUDSV-GOSISDBHSA-N 1 2 345.468 3.041 20 30 EGEDLO CC1(C)CCC[N@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)[C@H]1C#N ZINC000282545169 456548069 /nfs/dbraw/zinc/54/80/69/456548069.db2.gz RUTQSQBITZYODA-AEFFLSMTSA-N 1 2 325.456 3.163 20 30 EGEDLO CC1(C)CCC[N@@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)[C@H]1C#N ZINC000282545169 456548073 /nfs/dbraw/zinc/54/80/73/456548073.db2.gz RUTQSQBITZYODA-AEFFLSMTSA-N 1 2 325.456 3.163 20 30 EGEDLO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2C(F)F)sc2c1CCC2 ZINC000353195851 456551785 /nfs/dbraw/zinc/55/17/85/456551785.db2.gz DYYLAESYDBFTLO-GFCCVEGCSA-N 1 2 339.411 3.167 20 30 EGEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2C(F)F)sc2c1CCC2 ZINC000353195851 456551790 /nfs/dbraw/zinc/55/17/90/456551790.db2.gz DYYLAESYDBFTLO-GFCCVEGCSA-N 1 2 339.411 3.167 20 30 EGEDLO N#CC1(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCCCC1 ZINC000299134400 456616216 /nfs/dbraw/zinc/61/62/16/456616216.db2.gz PDHSMTYYZZEPTC-UHFFFAOYSA-N 1 2 326.444 3.162 20 30 EGEDLO C=C(C)[C@@H](Nc1cc(NC[C@@H](C)O)[nH+]cn1)c1ccc(F)c(F)c1 ZINC000299140457 456617347 /nfs/dbraw/zinc/61/73/47/456617347.db2.gz YEYGIVLXCJPMLE-PIGZYNQJSA-N 1 2 334.370 3.277 20 30 EGEDLO C=C(C)[C@@H](Nc1cc(NC[C@@H](C)O)nc[nH+]1)c1ccc(F)c(F)c1 ZINC000299140457 456617354 /nfs/dbraw/zinc/61/73/54/456617354.db2.gz YEYGIVLXCJPMLE-PIGZYNQJSA-N 1 2 334.370 3.277 20 30 EGEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000348329691 456627748 /nfs/dbraw/zinc/62/77/48/456627748.db2.gz VZTSBLSTNJTLTF-GOSISDBHSA-N 1 2 326.831 3.117 20 30 EGEDLO Cc1ccnc(N2CC[NH+](Cc3ccccc3Cl)CC2)c1C#N ZINC000343483389 456652240 /nfs/dbraw/zinc/65/22/40/456652240.db2.gz XHELKCLBHPGHPO-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO C=CC[C@H](CC)NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000348410166 456672452 /nfs/dbraw/zinc/67/24/52/456672452.db2.gz PSTYEBBCHNXSCT-OALUTQOASA-N 1 2 345.487 3.022 20 30 EGEDLO N#Cc1c(F)ccc(CNc2ccc[nH+]c2N2CCOCC2)c1Cl ZINC000277089179 456676904 /nfs/dbraw/zinc/67/69/04/456676904.db2.gz VCHYMCHSIQOXET-UHFFFAOYSA-N 1 2 346.793 3.194 20 30 EGEDLO Cc1ccc([C@@H](NC(=O)C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)C2CC2)cc1 ZINC000328770196 456757600 /nfs/dbraw/zinc/75/76/00/456757600.db2.gz GQYTZTPCSXXRFW-ZHALLVOQSA-N 1 2 341.455 3.453 20 30 EGEDLO Cc1ccc([C@@H](NC(=O)C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)C2CC2)cc1 ZINC000328770196 456757604 /nfs/dbraw/zinc/75/76/04/456757604.db2.gz GQYTZTPCSXXRFW-ZHALLVOQSA-N 1 2 341.455 3.453 20 30 EGEDLO CC(C)(CCC#N)CNc1cc(NCC(C)(C)CCC#N)[nH+]cn1 ZINC000340935410 456768966 /nfs/dbraw/zinc/76/89/66/456768966.db2.gz NSWFTSPGTVGFMA-UHFFFAOYSA-N 1 2 328.464 3.382 20 30 EGEDLO C=CCn1c(SCc2c[nH+]ccc2OC)nnc1-c1ccncc1 ZINC000343815694 456775361 /nfs/dbraw/zinc/77/53/61/456775361.db2.gz YSCYETHBCGTCKH-UHFFFAOYSA-N 1 2 339.424 3.222 20 30 EGEDLO C[C@@H]1CCN(C([O-])=[NH+]C2CCC(F)(F)CC2)C[C@H]1n1cc[nH+]c1 ZINC000328913284 456788910 /nfs/dbraw/zinc/78/89/10/456788910.db2.gz PLKJJHNLEBDKPS-TZMCWYRMSA-N 1 2 326.391 3.258 20 30 EGEDLO C[C@@H]1CCN(C(=O)NC2CCC(F)(F)CC2)C[C@H]1n1cc[nH+]c1 ZINC000328913284 456788918 /nfs/dbraw/zinc/78/89/18/456788918.db2.gz PLKJJHNLEBDKPS-TZMCWYRMSA-N 1 2 326.391 3.258 20 30 EGEDLO O=C(Nc1scnc1C1CC1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000328926279 456792699 /nfs/dbraw/zinc/79/26/99/456792699.db2.gz OTSGDIPBYLDBGI-LBPRGKRZSA-N 1 2 329.429 3.020 20 30 EGEDLO Cc1cc(Cl)c2ncc(C#N)c(N(C)Cc3[nH+]ccn3C)c2c1 ZINC000338401169 456798211 /nfs/dbraw/zinc/79/82/11/456798211.db2.gz UHOKRLLYVQVTMI-UHFFFAOYSA-N 1 2 325.803 3.438 20 30 EGEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccsc1 ZINC000348646256 456799620 /nfs/dbraw/zinc/79/96/20/456799620.db2.gz PFAGXDZDDVZJNT-HNNXBMFYSA-N 1 2 339.464 3.068 20 30 EGEDLO Cc1noc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(C)cc3F)C2)n1 ZINC000329032020 456819005 /nfs/dbraw/zinc/81/90/05/456819005.db2.gz LPDKMCYTHCNALQ-AAEUAGOBSA-N 1 2 332.379 3.292 20 30 EGEDLO Cc1noc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(C)cc3F)C2)n1 ZINC000329032020 456819012 /nfs/dbraw/zinc/81/90/12/456819012.db2.gz LPDKMCYTHCNALQ-AAEUAGOBSA-N 1 2 332.379 3.292 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1CCC(F)(F)C1)C1CCOCC1 ZINC000329122454 456838342 /nfs/dbraw/zinc/83/83/42/456838342.db2.gz KWSBYNLRTCNCNM-QWHCGFSZSA-N 1 2 327.375 3.280 20 30 EGEDLO Cc1cnc([C@H](C)[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)o1 ZINC000329149477 456844094 /nfs/dbraw/zinc/84/40/94/456844094.db2.gz QRABNWSLKLDJHI-SWLSCSKDSA-N 1 2 332.379 3.284 20 30 EGEDLO Cc1cnc([C@H](C)[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)o1 ZINC000329149477 456844098 /nfs/dbraw/zinc/84/40/98/456844098.db2.gz QRABNWSLKLDJHI-SWLSCSKDSA-N 1 2 332.379 3.284 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccc(Cl)cn3)C2)[nH]1 ZINC000329254994 456861913 /nfs/dbraw/zinc/86/19/13/456861913.db2.gz AMABXDXSUFVKTH-ZYHUDNBSSA-N 1 2 348.838 3.018 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccc(Cl)cn3)C2)[nH]1 ZINC000329254994 456861916 /nfs/dbraw/zinc/86/19/16/456861916.db2.gz AMABXDXSUFVKTH-ZYHUDNBSSA-N 1 2 348.838 3.018 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccc(Cl)cn3)C2)n1 ZINC000329254994 456861919 /nfs/dbraw/zinc/86/19/19/456861919.db2.gz AMABXDXSUFVKTH-ZYHUDNBSSA-N 1 2 348.838 3.018 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccc(Cl)cn3)C2)n1 ZINC000329254994 456861921 /nfs/dbraw/zinc/86/19/21/456861921.db2.gz AMABXDXSUFVKTH-ZYHUDNBSSA-N 1 2 348.838 3.018 20 30 EGEDLO C=CC[N@@H+](CCC#N)CCC(=O)Nc1cccc(Br)c1 ZINC000292174610 456876504 /nfs/dbraw/zinc/87/65/04/456876504.db2.gz MCIMNYCIOHKRQK-UHFFFAOYSA-N 1 2 336.233 3.179 20 30 EGEDLO C=CC[N@H+](CCC#N)CCC(=O)Nc1cccc(Br)c1 ZINC000292174610 456876507 /nfs/dbraw/zinc/87/65/07/456876507.db2.gz MCIMNYCIOHKRQK-UHFFFAOYSA-N 1 2 336.233 3.179 20 30 EGEDLO Cc1cc(NC(=O)N[C@@]2(C)CCCOC2)c[nH+]c1N1CCCC[C@@H]1C ZINC000329359071 456878437 /nfs/dbraw/zinc/87/84/37/456878437.db2.gz XJOVNOLWVCPOJT-KXBFYZLASA-N 1 2 346.475 3.473 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1cccc3c1OCO3)C2 ZINC000329376987 456880974 /nfs/dbraw/zinc/88/09/74/456880974.db2.gz LSYLVTBMJQCHHB-GFCCVEGCSA-N 1 2 341.411 3.229 20 30 EGEDLO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292198444 456883076 /nfs/dbraw/zinc/88/30/76/456883076.db2.gz NPPWTFGPVMFTJU-UKRRQHHQSA-N 1 2 340.427 3.453 20 30 EGEDLO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292198444 456883082 /nfs/dbraw/zinc/88/30/82/456883082.db2.gz NPPWTFGPVMFTJU-UKRRQHHQSA-N 1 2 340.427 3.453 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CC[C@H](C)[C@H](C)C1)C1CCOCC1 ZINC000329433272 456889400 /nfs/dbraw/zinc/88/94/00/456889400.db2.gz ILGOESMLHFJECA-ZMSDIMECSA-N 1 2 348.491 3.263 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(F)c3)C2)[nH]1 ZINC000329433899 456889789 /nfs/dbraw/zinc/88/97/89/456889789.db2.gz JAYRGEJZANMRDV-DGCLKSJQSA-N 1 2 331.395 3.108 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(F)c3)C2)[nH]1 ZINC000329433899 456889793 /nfs/dbraw/zinc/88/97/93/456889793.db2.gz JAYRGEJZANMRDV-DGCLKSJQSA-N 1 2 331.395 3.108 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(F)c3)C2)n1 ZINC000329433899 456889797 /nfs/dbraw/zinc/88/97/97/456889797.db2.gz JAYRGEJZANMRDV-DGCLKSJQSA-N 1 2 331.395 3.108 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(F)c3)C2)n1 ZINC000329433899 456889799 /nfs/dbraw/zinc/88/97/99/456889799.db2.gz JAYRGEJZANMRDV-DGCLKSJQSA-N 1 2 331.395 3.108 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(F)c3)C2)n[nH]1 ZINC000329433899 456889803 /nfs/dbraw/zinc/88/98/03/456889803.db2.gz JAYRGEJZANMRDV-DGCLKSJQSA-N 1 2 331.395 3.108 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(F)c3)C2)n[nH]1 ZINC000329433899 456889806 /nfs/dbraw/zinc/88/98/06/456889806.db2.gz JAYRGEJZANMRDV-DGCLKSJQSA-N 1 2 331.395 3.108 20 30 EGEDLO CN(Cc1[nH+]ccn1C)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000341690196 456901192 /nfs/dbraw/zinc/90/11/92/456901192.db2.gz BBIREFKWLNCECW-UHFFFAOYSA-N 1 2 344.418 3.484 20 30 EGEDLO CCN1CCOC[C@@H]1C(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000329519464 456903319 /nfs/dbraw/zinc/90/33/19/456903319.db2.gz QBHYHJYDMCQURF-NVXWUHKLSA-N 1 2 346.475 3.078 20 30 EGEDLO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccon2)ccc1Cl ZINC000349240217 456921277 /nfs/dbraw/zinc/92/12/77/456921277.db2.gz LWVVYIVWLOYPFI-ZDUSSCGKSA-N 1 2 346.818 3.234 20 30 EGEDLO N#Cc1ccc(C2=CC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)cc1 ZINC000339061139 456921493 /nfs/dbraw/zinc/92/14/93/456921493.db2.gz WTFTUTXIQIMFIF-UHFFFAOYSA-N 1 2 335.363 3.461 20 30 EGEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)cc1 ZINC000339061139 456921498 /nfs/dbraw/zinc/92/14/98/456921498.db2.gz WTFTUTXIQIMFIF-UHFFFAOYSA-N 1 2 335.363 3.461 20 30 EGEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000329846063 456949998 /nfs/dbraw/zinc/94/99/98/456949998.db2.gz MBGZVQBQTOITNM-JQHSSLGASA-N 1 2 343.471 3.466 20 30 EGEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000329846063 456950001 /nfs/dbraw/zinc/95/00/01/456950001.db2.gz MBGZVQBQTOITNM-JQHSSLGASA-N 1 2 343.471 3.466 20 30 EGEDLO N#C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1c(Cl)cccc1Cl ZINC000349431379 456967780 /nfs/dbraw/zinc/96/77/80/456967780.db2.gz LRWTWLGALIHGAU-HZMBPMFUSA-N 1 2 349.221 3.133 20 30 EGEDLO CN(C)c1ncc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)s1 ZINC000353926098 456968150 /nfs/dbraw/zinc/96/81/50/456968150.db2.gz POXNHRWXWYGVCL-SJORKVTESA-N 1 2 326.469 3.481 20 30 EGEDLO CN(C)c1ncc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)s1 ZINC000353926098 456968152 /nfs/dbraw/zinc/96/81/52/456968152.db2.gz POXNHRWXWYGVCL-SJORKVTESA-N 1 2 326.469 3.481 20 30 EGEDLO O=C(NC1CCC(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1)C1CC1 ZINC000330002907 456972954 /nfs/dbraw/zinc/97/29/54/456972954.db2.gz ZGTRDZGFAMMSJG-UHFFFAOYSA-N 1 2 344.459 3.041 20 30 EGEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CC23CCCC3)nc[nH+]1 ZINC000330022862 456976146 /nfs/dbraw/zinc/97/61/46/456976146.db2.gz HTDLGTHNWZHAIF-KGLIPLIRSA-N 1 2 329.448 3.024 20 30 EGEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CC23CCCC3)[nH+]cn1 ZINC000330022862 456976148 /nfs/dbraw/zinc/97/61/48/456976148.db2.gz HTDLGTHNWZHAIF-KGLIPLIRSA-N 1 2 329.448 3.024 20 30 EGEDLO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330189239 456997986 /nfs/dbraw/zinc/99/79/86/456997986.db2.gz VDIYCMYOGXGNNP-HIFRSBDPSA-N 1 2 342.443 3.317 20 30 EGEDLO N#Cc1ncccc1N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000358841431 456998359 /nfs/dbraw/zinc/99/83/59/456998359.db2.gz QKCPDEJPKZAPHA-UHFFFAOYSA-N 1 2 346.356 3.294 20 30 EGEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000330302486 457023945 /nfs/dbraw/zinc/02/39/45/457023945.db2.gz JMOHKPRVZNRCKJ-DGCLKSJQSA-N 1 2 328.347 3.069 20 30 EGEDLO CC[N@H+](CC(=O)N(CC#N)C1CCCC1)Cc1ccccc1Cl ZINC000339283442 457040746 /nfs/dbraw/zinc/04/07/46/457040746.db2.gz NBJDVYMEWYQNOB-UHFFFAOYSA-N 1 2 333.863 3.457 20 30 EGEDLO CC[N@@H+](CC(=O)N(CC#N)C1CCCC1)Cc1ccccc1Cl ZINC000339283442 457040749 /nfs/dbraw/zinc/04/07/49/457040749.db2.gz NBJDVYMEWYQNOB-UHFFFAOYSA-N 1 2 333.863 3.457 20 30 EGEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C(=O)OC(C)C)cc2)CC1 ZINC000341998967 457052273 /nfs/dbraw/zinc/05/22/73/457052273.db2.gz JCZLRNMBYNSIPO-HNNXBMFYSA-N 1 2 330.428 3.231 20 30 EGEDLO CCNc1ccc(C#N)cc1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000354098587 457060806 /nfs/dbraw/zinc/06/08/06/457060806.db2.gz YPKFRHOTBILOKN-GDBMZVCRSA-N 1 2 349.438 3.096 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000354121159 457077759 /nfs/dbraw/zinc/07/77/59/457077759.db2.gz QZFCOGFVOKCRQG-HOTGVXAUSA-N 1 2 334.435 3.012 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000349872007 457087874 /nfs/dbraw/zinc/08/78/74/457087874.db2.gz IUQFGTVZPHIKFH-AWEZNQCLSA-N 1 2 345.834 3.012 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCOC(C)(C)[C@@H]2C)c1 ZINC000331054603 457126159 /nfs/dbraw/zinc/12/61/59/457126159.db2.gz OFOXTVCGYYILNB-KRWDZBQOSA-N 1 2 343.471 3.049 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCOC(C)(C)[C@@H]2C)c1 ZINC000331054603 457126160 /nfs/dbraw/zinc/12/61/60/457126160.db2.gz OFOXTVCGYYILNB-KRWDZBQOSA-N 1 2 343.471 3.049 20 30 EGEDLO N#Cc1cccc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)c1 ZINC000349968143 457126183 /nfs/dbraw/zinc/12/61/83/457126183.db2.gz DSINZPRFQFQDCS-OAQYLSRUSA-N 1 2 345.446 3.108 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)c1 ZINC000349968143 457126188 /nfs/dbraw/zinc/12/61/88/457126188.db2.gz DSINZPRFQFQDCS-OAQYLSRUSA-N 1 2 345.446 3.108 20 30 EGEDLO C[C@@H]1COc2ccccc2C[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000359852755 457134613 /nfs/dbraw/zinc/13/46/13/457134613.db2.gz VNFDSDMFLNCGKL-QGZVFWFLSA-N 1 2 349.434 3.216 20 30 EGEDLO C[C@@H]1COc2ccccc2C[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000359852755 457134621 /nfs/dbraw/zinc/13/46/21/457134621.db2.gz VNFDSDMFLNCGKL-QGZVFWFLSA-N 1 2 349.434 3.216 20 30 EGEDLO N#CC1(CSc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)CC1 ZINC000347020742 457196422 /nfs/dbraw/zinc/19/64/22/457196422.db2.gz KNPZVFGLPSOHGN-UHFFFAOYSA-N 1 2 325.372 3.350 20 30 EGEDLO Cc1onc(CC(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)c1C#N ZINC000354427900 457216142 /nfs/dbraw/zinc/21/61/42/457216142.db2.gz VIOSLADUDVDVIH-UHFFFAOYSA-N 1 2 334.335 3.223 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1ncc(C#N)cc1Cl ZINC000331918187 457274079 /nfs/dbraw/zinc/27/40/79/457274079.db2.gz NWVRDHKHGIWJFW-AWEZNQCLSA-N 1 2 343.818 3.190 20 30 EGEDLO CC[N@H+](Cc1ccc(C#N)cc1OC)[C@H]1CCN(c2ccccc2)C1=O ZINC000347218501 457293796 /nfs/dbraw/zinc/29/37/96/457293796.db2.gz ABARLAUNTXACSM-IBGZPJMESA-N 1 2 349.434 3.194 20 30 EGEDLO CC[N@@H+](Cc1ccc(C#N)cc1OC)[C@H]1CCN(c2ccccc2)C1=O ZINC000347218501 457293802 /nfs/dbraw/zinc/29/38/02/457293802.db2.gz ABARLAUNTXACSM-IBGZPJMESA-N 1 2 349.434 3.194 20 30 EGEDLO N#CCc1ccc(CNc2ccc([NH+]3CCCCC3)cc2C(N)=O)cc1 ZINC000342433543 457302649 /nfs/dbraw/zinc/30/26/49/457302649.db2.gz HMFBIGAPOIFXQI-UHFFFAOYSA-N 1 2 348.450 3.454 20 30 EGEDLO C=CCCC1(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)CC1 ZINC000354786146 457319681 /nfs/dbraw/zinc/31/96/81/457319681.db2.gz OGDLIJKHQSXZSF-UHFFFAOYSA-N 1 2 348.244 3.459 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN([C@H](C)c2ccsc2)CC1 ZINC000360614962 457321933 /nfs/dbraw/zinc/32/19/33/457321933.db2.gz ZNJYMQNLXYPDAD-IAGOWNOFSA-N 1 2 349.544 3.240 20 30 EGEDLO CC(C)(C)CN(CCC#N)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000355355325 457363186 /nfs/dbraw/zinc/36/31/86/457363186.db2.gz JHKFGVJXBXESPO-UHFFFAOYSA-N 1 2 338.455 3.262 20 30 EGEDLO Cc1cnc([C@H](C)[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cn1 ZINC000332408395 457364384 /nfs/dbraw/zinc/36/43/84/457364384.db2.gz ZTZRSBPKGLRUTA-AWEZNQCLSA-N 1 2 341.846 3.193 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000425109651 457440086 /nfs/dbraw/zinc/44/00/86/457440086.db2.gz MKRHQNNIYICKDO-JTDSTZFVSA-N 1 2 348.450 3.245 20 30 EGEDLO Cc1cc(N2C[C@@H](c3ccc(Cl)cc3)[C@H](CO)C2)c(C#N)c[nH+]1 ZINC000425267379 457475299 /nfs/dbraw/zinc/47/52/99/457475299.db2.gz LIHFSVNJOLQYTA-RDJZCZTQSA-N 1 2 327.815 3.127 20 30 EGEDLO Cc1nnc(-c2cc(F)ccc2NCc2c[nH+]c3ccc(C#N)cn23)o1 ZINC000370039505 457513424 /nfs/dbraw/zinc/51/34/24/457513424.db2.gz BUTWVUIELLXXMU-UHFFFAOYSA-N 1 2 348.341 3.316 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1sc(CC)cc1C(=O)OCC)C1CC1 ZINC000357552073 457592611 /nfs/dbraw/zinc/59/26/11/457592611.db2.gz JXTIUZPTVKXNMX-UHFFFAOYSA-N 1 2 336.457 3.076 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1sc(CC)cc1C(=O)OCC)C1CC1 ZINC000357552073 457592619 /nfs/dbraw/zinc/59/26/19/457592619.db2.gz JXTIUZPTVKXNMX-UHFFFAOYSA-N 1 2 336.457 3.076 20 30 EGEDLO C=CCC[C@H](NC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1)c1ccccc1 ZINC000425934186 457654060 /nfs/dbraw/zinc/65/40/60/457654060.db2.gz ZSWVKVHTSRJWIY-OALUTQOASA-N 1 2 345.487 3.104 20 30 EGEDLO C=CCC[C@H](NC(=O)NCC[N@H+]1CCO[C@@H](CC)C1)c1ccccc1 ZINC000425934186 457654066 /nfs/dbraw/zinc/65/40/66/457654066.db2.gz ZSWVKVHTSRJWIY-OALUTQOASA-N 1 2 345.487 3.104 20 30 EGEDLO Cc1nc(N2CCO[C@H](c3cccc(C#N)c3)C2)c2c([nH+]1)CCCC2 ZINC000374749356 457700069 /nfs/dbraw/zinc/70/00/69/457700069.db2.gz KFIRWVRJTXRFFA-IBGZPJMESA-N 1 2 334.423 3.113 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000361849590 457906222 /nfs/dbraw/zinc/90/62/22/457906222.db2.gz NKUKHDUSHMEBJZ-SCLBCKFNSA-N 1 2 333.863 3.141 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000361849590 457906232 /nfs/dbraw/zinc/90/62/32/457906232.db2.gz NKUKHDUSHMEBJZ-SCLBCKFNSA-N 1 2 333.863 3.141 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCSC2(CCC2)CC1 ZINC000411868498 457996482 /nfs/dbraw/zinc/99/64/82/457996482.db2.gz KWYKIFWPSOZNEY-INIZCTEOSA-N 1 2 330.453 3.134 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCSC2(CCC2)CC1 ZINC000411868498 457996487 /nfs/dbraw/zinc/99/64/87/457996487.db2.gz KWYKIFWPSOZNEY-INIZCTEOSA-N 1 2 330.453 3.134 20 30 EGEDLO C=CC[C@@H]1N(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCCC1(C)C ZINC000445209636 458025740 /nfs/dbraw/zinc/02/57/40/458025740.db2.gz FIMRXFJQHPDZRG-IRXDYDNUSA-N 1 2 342.487 3.437 20 30 EGEDLO CCc1cc(NCC2(CC#N)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000362359430 458126268 /nfs/dbraw/zinc/12/62/68/458126268.db2.gz NKDRZKKSNNJPGK-UHFFFAOYSA-N 1 2 337.383 3.142 20 30 EGEDLO C=C(C)[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(F)c(F)c1 ZINC000358651513 458129201 /nfs/dbraw/zinc/12/92/01/458129201.db2.gz NDRFNUNWXMALNY-CXAGYDPISA-N 1 2 331.366 3.157 20 30 EGEDLO CC(C)CN(C(=O)C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1)C1CC1 ZINC000362438834 458177412 /nfs/dbraw/zinc/17/74/12/458177412.db2.gz MZDVBGZMQAWQHD-UXHICEINSA-N 1 2 339.483 3.405 20 30 EGEDLO CC(C)CN(C(=O)C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1)C1CC1 ZINC000362438834 458177416 /nfs/dbraw/zinc/17/74/16/458177416.db2.gz MZDVBGZMQAWQHD-UXHICEINSA-N 1 2 339.483 3.405 20 30 EGEDLO CN(CC(C)(C)C#N)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000458884865 458203799 /nfs/dbraw/zinc/20/37/99/458203799.db2.gz OIIIBTYVSUJODL-UHFFFAOYSA-N 1 2 345.834 3.217 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC)cc1OCc1cccnc1 ZINC000446757306 458226375 /nfs/dbraw/zinc/22/63/75/458226375.db2.gz AIYALVDOUDGYPP-KRWDZBQOSA-N 1 2 325.412 3.451 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429130963 458276801 /nfs/dbraw/zinc/27/68/01/458276801.db2.gz WDSTZWVQCONCEK-CABCVRRESA-N 1 2 335.407 3.168 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429130963 458276805 /nfs/dbraw/zinc/27/68/05/458276805.db2.gz WDSTZWVQCONCEK-CABCVRRESA-N 1 2 335.407 3.168 20 30 EGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000412838190 458286356 /nfs/dbraw/zinc/28/63/56/458286356.db2.gz JLFSTINWRSEHMI-KRWDZBQOSA-N 1 2 336.426 3.267 20 30 EGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000413109703 458293051 /nfs/dbraw/zinc/29/30/51/458293051.db2.gz QZNMAXZABGFNBP-SFHVURJKSA-N 1 2 338.455 3.134 20 30 EGEDLO C[C@@H](c1cccc(NC(=O)NCC(C)(C)CC#N)c1)[NH+]1CCOCC1 ZINC000459383989 458353135 /nfs/dbraw/zinc/35/31/35/458353135.db2.gz HQWJJNWKGCWQMZ-HNNXBMFYSA-N 1 2 344.459 3.141 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000417370282 458362377 /nfs/dbraw/zinc/36/23/77/458362377.db2.gz SGFUMAPDLZEHFQ-MOPGFXCFSA-N 1 2 329.407 3.433 20 30 EGEDLO COC(=O)[C@@H]([NH2+]C1CCC(CSC)CC1)c1cccc(C#N)c1 ZINC000419248684 458379323 /nfs/dbraw/zinc/37/93/23/458379323.db2.gz YCISWQOLCSEJBI-IMRCBTMISA-N 1 2 332.469 3.284 20 30 EGEDLO CC1(C)CCCN(C(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C#N ZINC000493697842 458538973 /nfs/dbraw/zinc/53/89/73/458538973.db2.gz VUENCNDQDSXVBT-KKMIYCERSA-N 1 2 334.423 3.426 20 30 EGEDLO C=C(CC)CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000454513060 458565165 /nfs/dbraw/zinc/56/51/65/458565165.db2.gz QNXBEYXRPPNXJF-HZPDHXFCSA-N 1 2 331.460 3.384 20 30 EGEDLO C=CCn1cc(C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)C)nn1 ZINC000424170186 458576294 /nfs/dbraw/zinc/57/62/94/458576294.db2.gz JMVJVEFOQDAQBL-UHFFFAOYSA-N 1 2 336.443 3.063 20 30 EGEDLO C=C(CC)CNC(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000455520502 458602777 /nfs/dbraw/zinc/60/27/77/458602777.db2.gz JNDLLCJOKZXARX-MRXNPFEDSA-N 1 2 326.444 3.485 20 30 EGEDLO CCN(CC)c1ccc(CNC(=O)Nc2cccc(CC#N)c2)c[nH+]1 ZINC000455917338 458621114 /nfs/dbraw/zinc/62/11/14/458621114.db2.gz JSRKEDDPPXJMQY-UHFFFAOYSA-N 1 2 337.427 3.316 20 30 EGEDLO COCC[N@H+](Cc1cc(Br)cs1)CC1(C#N)CC1 ZINC000494056695 458622201 /nfs/dbraw/zinc/62/22/01/458622201.db2.gz AXBFGLYLBVURNY-UHFFFAOYSA-N 1 2 329.263 3.263 20 30 EGEDLO COCC[N@@H+](Cc1cc(Br)cs1)CC1(C#N)CC1 ZINC000494056695 458622207 /nfs/dbraw/zinc/62/22/07/458622207.db2.gz AXBFGLYLBVURNY-UHFFFAOYSA-N 1 2 329.263 3.263 20 30 EGEDLO C=C[C@@H]1CCCCN1C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000494178450 458636268 /nfs/dbraw/zinc/63/62/68/458636268.db2.gz FPMXJRIHBKILRP-IAGOWNOFSA-N 1 2 342.418 3.399 20 30 EGEDLO Cc1cccn2cc(CC(=O)N[C@@H]3CCCc4cc(C#N)ccc43)[nH+]c12 ZINC000514924269 458803845 /nfs/dbraw/zinc/80/38/45/458803845.db2.gz OVDKNVYZEPQNAC-LJQANCHMSA-N 1 2 344.418 3.251 20 30 EGEDLO C=CCOc1cc(OC)ccc1C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457319454 458920895 /nfs/dbraw/zinc/92/08/95/458920895.db2.gz WUSPLWXHOBTQLO-UHFFFAOYSA-N 1 2 347.440 3.030 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000566858617 459012412 /nfs/dbraw/zinc/01/24/12/459012412.db2.gz GVFUSCPGSNUFMN-RUCARUNLSA-N 1 2 325.456 3.029 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)c2[nH+]ccn21 ZINC000557108062 459049494 /nfs/dbraw/zinc/04/94/94/459049494.db2.gz QIENUAUHENUWIH-DQYPLSBCSA-N 1 2 335.411 3.137 20 30 EGEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)C2(C#N)CC(C)C2)CC1 ZINC000557347412 459064574 /nfs/dbraw/zinc/06/45/74/459064574.db2.gz IFLRXHGZQYMJMN-UHFFFAOYSA-N 1 2 345.874 3.233 20 30 EGEDLO CCCCn1nnnc1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000521195881 459128193 /nfs/dbraw/zinc/12/81/93/459128193.db2.gz YRZKMIOJBGNIBK-UHFFFAOYSA-N 1 2 326.448 3.003 20 30 EGEDLO CCCCn1nnnc1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000521195881 459128200 /nfs/dbraw/zinc/12/82/00/459128200.db2.gz YRZKMIOJBGNIBK-UHFFFAOYSA-N 1 2 326.448 3.003 20 30 EGEDLO Cc1cccn2cc(CC(=O)N[C@@H](CCC#N)c3ccccc3)[nH+]c12 ZINC000533051795 459182526 /nfs/dbraw/zinc/18/25/26/459182526.db2.gz YJKGFRHMWPLWHP-SFHVURJKSA-N 1 2 332.407 3.347 20 30 EGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)CCC2 ZINC000533096912 459188264 /nfs/dbraw/zinc/18/82/64/459188264.db2.gz NTLXPXAZVYQERA-RHSMWYFYSA-N 1 2 337.427 3.001 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c2[nH+]ccn21 ZINC000580995145 459266555 /nfs/dbraw/zinc/26/65/55/459266555.db2.gz KQDLVULICMPXFC-UBDQQSCGSA-N 1 2 349.438 3.370 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000581259186 459270744 /nfs/dbraw/zinc/27/07/44/459270744.db2.gz BOYMOUVITXOHBU-AWEZNQCLSA-N 1 2 332.835 3.177 20 30 EGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000560405744 459339733 /nfs/dbraw/zinc/33/97/33/459339733.db2.gz RCFDHTOJWICLOK-SWLSCSKDSA-N 1 2 339.399 3.369 20 30 EGEDLO C=CCOc1cccc(C[NH+]2CCN([C@@H](C)C(F)(F)F)CC2)c1 ZINC000537623799 459365720 /nfs/dbraw/zinc/36/57/20/459365720.db2.gz AVTOUTIUHYDXII-AWEZNQCLSA-N 1 2 328.378 3.320 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591407487 459372895 /nfs/dbraw/zinc/37/28/95/459372895.db2.gz JFFUPLMSMJQBFU-MJGOQNOKSA-N 1 2 349.438 3.179 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000582604676 459393824 /nfs/dbraw/zinc/39/38/24/459393824.db2.gz UPIYIQCDVLGNME-JKSUJKDBSA-N 1 2 348.512 3.295 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000582604676 459393828 /nfs/dbraw/zinc/39/38/28/459393828.db2.gz UPIYIQCDVLGNME-JKSUJKDBSA-N 1 2 348.512 3.295 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595702775 459404788 /nfs/dbraw/zinc/40/47/88/459404788.db2.gz KGVRBJWPZKOPGH-PBHICJAKSA-N 1 2 329.419 3.304 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595702775 459404793 /nfs/dbraw/zinc/40/47/93/459404793.db2.gz KGVRBJWPZKOPGH-PBHICJAKSA-N 1 2 329.419 3.304 20 30 EGEDLO CCc1ccc([C@H](C#N)N(C)C(=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000569588307 459476776 /nfs/dbraw/zinc/47/67/76/459476776.db2.gz JZMXJKYVZXLVDC-IBGZPJMESA-N 1 2 346.434 3.471 20 30 EGEDLO Cn1c(CCCNc2nc(C#N)c(Cl)s2)[nH+]c2ccccc21 ZINC000596146639 459537850 /nfs/dbraw/zinc/53/78/50/459537850.db2.gz GFICVDJFNGPRMU-UHFFFAOYSA-N 1 2 331.832 3.021 20 30 EGEDLO CCc1ccc(-c2nc(C[N@@H+]3CC[C@](O)(CC#N)C3)cs2)cc1 ZINC000592147836 459538518 /nfs/dbraw/zinc/53/85/18/459538518.db2.gz OYFQYDPYUGRAAD-GOSISDBHSA-N 1 2 327.453 3.223 20 30 EGEDLO CCc1ccc(-c2nc(C[N@H+]3CC[C@](O)(CC#N)C3)cs2)cc1 ZINC000592147836 459538525 /nfs/dbraw/zinc/53/85/25/459538525.db2.gz OYFQYDPYUGRAAD-GOSISDBHSA-N 1 2 327.453 3.223 20 30 EGEDLO CCc1nc(C#N)cc(N2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)n1 ZINC000596174887 459548396 /nfs/dbraw/zinc/54/83/96/459548396.db2.gz NTIKBLNTLTVDND-MRXNPFEDSA-N 1 2 346.438 3.238 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(CCOc2ccccc2)CC1 ZINC000526941801 459562862 /nfs/dbraw/zinc/56/28/62/459562862.db2.gz VSXQHHZCLPAKFX-GOSISDBHSA-N 1 2 335.451 3.316 20 30 EGEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000489508905 459567249 /nfs/dbraw/zinc/56/72/49/459567249.db2.gz KCWCNUMTKYTDRY-CYBMUJFWSA-N 1 2 330.350 3.211 20 30 EGEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000489508905 459567254 /nfs/dbraw/zinc/56/72/54/459567254.db2.gz KCWCNUMTKYTDRY-CYBMUJFWSA-N 1 2 330.350 3.211 20 30 EGEDLO C=CCn1cccc1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000490060135 459576244 /nfs/dbraw/zinc/57/62/44/459576244.db2.gz IKFGEZYTOVLWHG-UHFFFAOYSA-N 1 2 336.395 3.202 20 30 EGEDLO C#CC[N@@H+](Cn1nc(-c2ccncc2)n(C)c1=S)C1CCCCC1 ZINC000490594516 459580479 /nfs/dbraw/zinc/58/04/79/459580479.db2.gz QWJLDVHICWNXII-UHFFFAOYSA-N 1 2 341.484 3.238 20 30 EGEDLO C#CC[N@H+](Cn1nc(-c2ccncc2)n(C)c1=S)C1CCCCC1 ZINC000490594516 459580482 /nfs/dbraw/zinc/58/04/82/459580482.db2.gz QWJLDVHICWNXII-UHFFFAOYSA-N 1 2 341.484 3.238 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000491114052 459599027 /nfs/dbraw/zinc/59/90/27/459599027.db2.gz JFKJWGDPFJSWCQ-AWEZNQCLSA-N 1 2 347.434 3.434 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000491114052 459599031 /nfs/dbraw/zinc/59/90/31/459599031.db2.gz JFKJWGDPFJSWCQ-AWEZNQCLSA-N 1 2 347.434 3.434 20 30 EGEDLO N#Cc1cc2c(nc1NCc1ccc[nH+]c1N1CCCC1)CCCC2 ZINC000596358090 459606770 /nfs/dbraw/zinc/60/67/70/459606770.db2.gz SKCFKINAQWUTIW-UHFFFAOYSA-N 1 2 333.439 3.439 20 30 EGEDLO C#C[C@H]([NH2+][C@@H](C(=O)N(C)C)c1ccccc1)c1ccc(Cl)cc1 ZINC000491305353 459615496 /nfs/dbraw/zinc/61/54/96/459615496.db2.gz IPVGUXJOMXDZNV-ZWKOTPCHSA-N 1 2 326.827 3.433 20 30 EGEDLO N#Cc1ccc(Br)c(C[NH2+][C@H](CO)c2cccc(F)c2)c1 ZINC000491603139 459639300 /nfs/dbraw/zinc/63/93/00/459639300.db2.gz AFUSSBZKXVGEMZ-MRXNPFEDSA-N 1 2 349.203 3.283 20 30 EGEDLO CC[C@@H](C)[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)OC ZINC000499798577 459654202 /nfs/dbraw/zinc/65/42/02/459654202.db2.gz UKDWFAAIHLLNLX-CYBMUJFWSA-N 1 2 327.346 3.330 20 30 EGEDLO CC[C@@H](C)[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)OC ZINC000499798577 459654210 /nfs/dbraw/zinc/65/42/10/459654210.db2.gz UKDWFAAIHLLNLX-CYBMUJFWSA-N 1 2 327.346 3.330 20 30 EGEDLO C#CCN(C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F)C1CCCCC1 ZINC000491712424 459660473 /nfs/dbraw/zinc/66/04/73/459660473.db2.gz ZOBSAHXULGLTEI-AWEZNQCLSA-N 1 2 341.377 3.251 20 30 EGEDLO CC1(C)C[N@H+](CC(=O)N(CCC#N)c2ccccc2)[C@H]1c1cccnc1 ZINC000596593752 459688567 /nfs/dbraw/zinc/68/85/67/459688567.db2.gz RNAZDTQEWDXCFZ-FQEVSTJZSA-N 1 2 348.450 3.411 20 30 EGEDLO CC1(C)C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)[C@H]1c1cccnc1 ZINC000596593752 459688569 /nfs/dbraw/zinc/68/85/69/459688569.db2.gz RNAZDTQEWDXCFZ-FQEVSTJZSA-N 1 2 348.450 3.411 20 30 EGEDLO Cc1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)c(Cl)c1 ZINC000584327884 459710201 /nfs/dbraw/zinc/71/02/01/459710201.db2.gz ZLJSLLDJRVALCA-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000563220047 459741427 /nfs/dbraw/zinc/74/14/27/459741427.db2.gz FLZKVFQAXUMZBH-INIZCTEOSA-N 1 2 342.270 3.276 20 30 EGEDLO Cc1ccc(-c2nc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cs2)c(C)c1 ZINC000565893927 459789585 /nfs/dbraw/zinc/78/95/85/459789585.db2.gz CJQHQAKRIRZOKU-GOSISDBHSA-N 1 2 342.468 3.001 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCn1c2ccccc2c2ccccc21 ZINC000593155254 459790760 /nfs/dbraw/zinc/79/07/60/459790760.db2.gz GBSVWRJYXOFLSQ-NRFANRHFSA-N 1 2 348.450 3.145 20 30 EGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000597182773 459866335 /nfs/dbraw/zinc/86/63/35/459866335.db2.gz OAYZSMWWYUTGLK-NQBHXWOUSA-N 1 2 349.221 3.211 20 30 EGEDLO N#Cc1cnc(C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)nc1 ZINC000574787743 459873570 /nfs/dbraw/zinc/87/35/70/459873570.db2.gz FZLKLKJIRZBLKO-UHFFFAOYSA-N 1 2 337.358 3.008 20 30 EGEDLO Cc1nsc(N2CC[NH+](Cc3ccc4occc4c3)CC2)c1C#N ZINC000574948764 459897650 /nfs/dbraw/zinc/89/76/50/459897650.db2.gz QHNCGIYXBOXZCS-UHFFFAOYSA-N 1 2 338.436 3.392 20 30 EGEDLO N#Cc1n[nH]cc1NC(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000602358399 459904204 /nfs/dbraw/zinc/90/42/04/459904204.db2.gz JIZHRBCVFUJIAG-UHFFFAOYSA-N 1 2 348.410 3.317 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)CCCCCC#N)c1cccc(F)c1 ZINC000588273995 459941111 /nfs/dbraw/zinc/94/11/11/459941111.db2.gz MUEIQFCUXCOMFT-QGZVFWFLSA-N 1 2 328.391 3.239 20 30 EGEDLO COc1ccccc1C[N@@H+](Cc1cccc(C#N)n1)C[C@@H]1CCCO1 ZINC000602447479 459943937 /nfs/dbraw/zinc/94/39/37/459943937.db2.gz ICESOKXLLREOTG-IBGZPJMESA-N 1 2 337.423 3.143 20 30 EGEDLO COc1ccccc1C[N@H+](Cc1cccc(C#N)n1)C[C@@H]1CCCO1 ZINC000602447479 459943941 /nfs/dbraw/zinc/94/39/41/459943941.db2.gz ICESOKXLLREOTG-IBGZPJMESA-N 1 2 337.423 3.143 20 30 EGEDLO COCC[N@H+](Cc1cccc(C#N)n1)Cc1ccc(F)cc1Cl ZINC000602472317 459955125 /nfs/dbraw/zinc/95/51/25/459955125.db2.gz DWYQQTOMTDIPRZ-UHFFFAOYSA-N 1 2 333.794 3.394 20 30 EGEDLO COCC[N@@H+](Cc1cccc(C#N)n1)Cc1ccc(F)cc1Cl ZINC000602472317 459955137 /nfs/dbraw/zinc/95/51/37/459955137.db2.gz DWYQQTOMTDIPRZ-UHFFFAOYSA-N 1 2 333.794 3.394 20 30 EGEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000598588484 459956284 /nfs/dbraw/zinc/95/62/84/459956284.db2.gz APMARMPQTZGSQZ-CJNGLKHVSA-N 1 2 340.826 3.153 20 30 EGEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000598588484 459956286 /nfs/dbraw/zinc/95/62/86/459956286.db2.gz APMARMPQTZGSQZ-CJNGLKHVSA-N 1 2 340.826 3.153 20 30 EGEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccccc2Br)CC1 ZINC000609484860 459970012 /nfs/dbraw/zinc/97/00/12/459970012.db2.gz MNNLTIDUUCXPBL-MRXNPFEDSA-N 1 2 336.277 3.115 20 30 EGEDLO Cc1ccc(-n2c[nH+]c3c2CCN(Cc2ccc(C#N)cn2)C3)cc1 ZINC000593977862 460038058 /nfs/dbraw/zinc/03/80/58/460038058.db2.gz GWIQJXSAVFWMLO-UHFFFAOYSA-N 1 2 329.407 3.006 20 30 EGEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccns2)CC1 ZINC000602648830 460041514 /nfs/dbraw/zinc/04/15/14/460041514.db2.gz NUWJSHVKTJRDTR-INIZCTEOSA-N 1 2 332.860 3.179 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000594008997 460054792 /nfs/dbraw/zinc/05/47/92/460054792.db2.gz VJWYCOKPOKGPFL-MJGOQNOKSA-N 1 2 331.435 3.455 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)[C@@H](C#N)CCc2ccccc2)CC1(C)C ZINC000576198112 460087564 /nfs/dbraw/zinc/08/75/64/460087564.db2.gz UCMDURZDKLARBF-SJORKVTESA-N 1 2 336.439 3.102 20 30 EGEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)c2cccc(C#N)n2)CC1 ZINC000589459702 460090236 /nfs/dbraw/zinc/09/02/36/460090236.db2.gz IDXCPZOKOSCNEI-UHFFFAOYSA-N 1 2 345.406 3.089 20 30 EGEDLO Cc1csc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)c1C#N ZINC000594110514 460106185 /nfs/dbraw/zinc/10/61/85/460106185.db2.gz UCHUBNZMNMTQPB-UHFFFAOYSA-N 1 2 346.481 3.339 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC000589826913 460143024 /nfs/dbraw/zinc/14/30/24/460143024.db2.gz CNMYSOBVUYDGJI-HXUWFJFHSA-N 1 2 345.487 3.103 20 30 EGEDLO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH2+][C@H](C)CC#N)ccc2c1 ZINC000602861147 460163408 /nfs/dbraw/zinc/16/34/08/460163408.db2.gz GBVRJMFDFMPUJG-HUUCEWRRSA-N 1 2 339.439 3.087 20 30 EGEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000602867013 460165285 /nfs/dbraw/zinc/16/52/85/460165285.db2.gz BAOPGOWBGHPQOR-HOTGVXAUSA-N 1 2 337.423 3.484 20 30 EGEDLO C[C@H](CC#N)[NH2+]CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000602864618 460165461 /nfs/dbraw/zinc/16/54/61/460165461.db2.gz SDQHSWUKGDITFQ-KUHUBIRLSA-N 1 2 341.842 3.437 20 30 EGEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@@H]3c3cccc(F)c3)C2=O)cc1 ZINC000610505441 460168690 /nfs/dbraw/zinc/16/86/90/460168690.db2.gz LMGWKNXFUXHQBH-RTBURBONSA-N 1 2 335.382 3.250 20 30 EGEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@@H]3c3cccc(F)c3)C2=O)cc1 ZINC000610505441 460168697 /nfs/dbraw/zinc/16/86/97/460168697.db2.gz LMGWKNXFUXHQBH-RTBURBONSA-N 1 2 335.382 3.250 20 30 EGEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000594346075 460193181 /nfs/dbraw/zinc/19/31/81/460193181.db2.gz CJDFEHCNIDIQEF-ZDUSSCGKSA-N 1 2 347.422 3.318 20 30 EGEDLO C[N@@H+](Cc1c(F)cccc1Cl)C[C@H](O)COc1ccccc1C#N ZINC000599252060 460206773 /nfs/dbraw/zinc/20/67/73/460206773.db2.gz LFJYNONZHRRYNL-AWEZNQCLSA-N 1 2 348.805 3.222 20 30 EGEDLO C[N@H+](Cc1c(F)cccc1Cl)C[C@H](O)COc1ccccc1C#N ZINC000599252060 460206781 /nfs/dbraw/zinc/20/67/81/460206781.db2.gz LFJYNONZHRRYNL-AWEZNQCLSA-N 1 2 348.805 3.222 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000602997584 460215620 /nfs/dbraw/zinc/21/56/20/460215620.db2.gz NGOJABSLLFLJPJ-BBWFWOEESA-N 1 2 349.272 3.446 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000602997584 460215627 /nfs/dbraw/zinc/21/56/27/460215627.db2.gz NGOJABSLLFLJPJ-BBWFWOEESA-N 1 2 349.272 3.446 20 30 EGEDLO CN(Cc1[nH]cc[nH+]1)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000603012951 460219702 /nfs/dbraw/zinc/21/97/02/460219702.db2.gz MFADRYUFTOWMRV-UHFFFAOYSA-N 1 2 327.388 3.123 20 30 EGEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)Nc2cc(F)cc(C#N)c2)CC1(C)C ZINC000603072268 460235630 /nfs/dbraw/zinc/23/56/30/460235630.db2.gz NJSZVHPYAPRDHP-CQSZACIVSA-N 1 2 327.363 3.046 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000599591191 460282054 /nfs/dbraw/zinc/28/20/54/460282054.db2.gz SVSUHDFBNXWFCK-CXAGYDPISA-N 1 2 332.419 3.497 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000599591191 460282057 /nfs/dbraw/zinc/28/20/57/460282057.db2.gz SVSUHDFBNXWFCK-CXAGYDPISA-N 1 2 332.419 3.497 20 30 EGEDLO Cc1cccn2cc(CNc3c(C#N)cnc4c(F)ccc(F)c43)[nH+]c12 ZINC000611372761 460347678 /nfs/dbraw/zinc/34/76/78/460347678.db2.gz KXYSSKXLRKUYHY-UHFFFAOYSA-N 1 2 349.344 3.375 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(F)(F)CC1 ZINC000619516125 460372506 /nfs/dbraw/zinc/37/25/06/460372506.db2.gz NKDKKETXQQPAEB-SNVBAGLBSA-N 1 2 327.762 3.270 20 30 EGEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000611550443 460395824 /nfs/dbraw/zinc/39/58/24/460395824.db2.gz AYGLEKLKPQYLMR-IBGZPJMESA-N 1 2 327.378 3.347 20 30 EGEDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000611555119 460397129 /nfs/dbraw/zinc/39/71/29/460397129.db2.gz NFBMPIWHBDOKNS-WCQYABFASA-N 1 2 325.334 3.160 20 30 EGEDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000611555119 460397133 /nfs/dbraw/zinc/39/71/33/460397133.db2.gz NFBMPIWHBDOKNS-WCQYABFASA-N 1 2 325.334 3.160 20 30 EGEDLO N#Cc1ccccc1C[N@@H+](Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000611575369 460406550 /nfs/dbraw/zinc/40/65/50/460406550.db2.gz GVJAWUNTHBYNSN-QGZVFWFLSA-N 1 2 334.341 3.484 20 30 EGEDLO N#Cc1ccccc1C[N@H+](Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000611575369 460406559 /nfs/dbraw/zinc/40/65/59/460406559.db2.gz GVJAWUNTHBYNSN-QGZVFWFLSA-N 1 2 334.341 3.484 20 30 EGEDLO C=C[C@@H](C(=O)OC)[N@H+](C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1 ZINC000619716371 460420822 /nfs/dbraw/zinc/42/08/22/460420822.db2.gz NZWZMSFPVXCTIN-AWEZNQCLSA-N 1 2 345.361 3.404 20 30 EGEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1 ZINC000619716371 460420828 /nfs/dbraw/zinc/42/08/28/460420828.db2.gz NZWZMSFPVXCTIN-AWEZNQCLSA-N 1 2 345.361 3.404 20 30 EGEDLO N#Cc1ccccc1N(Cc1ccco1)C(=O)CCCn1cc[nH+]c1 ZINC000604528672 460440844 /nfs/dbraw/zinc/44/08/44/460440844.db2.gz CLCUCNHRGAPWBV-UHFFFAOYSA-N 1 2 334.379 3.361 20 30 EGEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccccc3Cl)C2)s1 ZINC000619778250 460442024 /nfs/dbraw/zinc/44/20/24/460442024.db2.gz QKRWVZBLYCPPJB-CQSZACIVSA-N 1 2 331.828 3.060 20 30 EGEDLO N#Cc1ccc(/C=C/c2nc([C@@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000612991183 460796080 /nfs/dbraw/zinc/79/60/80/460796080.db2.gz DBOBYRSNWNLTKM-AFYXXPPBSA-N 1 2 336.395 3.037 20 30 EGEDLO N#Cc1ccc(/C=C/c2nc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000612991183 460796087 /nfs/dbraw/zinc/79/60/87/460796087.db2.gz DBOBYRSNWNLTKM-AFYXXPPBSA-N 1 2 336.395 3.037 20 30 EGEDLO Cc1nc(NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)sc1SCC#N ZINC000602089488 461006973 /nfs/dbraw/zinc/00/69/73/461006973.db2.gz SZBOPHAOFRJLIM-GFCCVEGCSA-N 1 2 336.486 3.023 20 30 EGEDLO Cc1nc(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)sc1SCC#N ZINC000602089488 461006981 /nfs/dbraw/zinc/00/69/81/461006981.db2.gz SZBOPHAOFRJLIM-GFCCVEGCSA-N 1 2 336.486 3.023 20 30 EGEDLO C=CC[C@H](Cc1ccccc1)n1cc(C[NH+]2CCC(OC)CC2)nn1 ZINC000630592470 461205708 /nfs/dbraw/zinc/20/57/08/461205708.db2.gz QPIAVNGJHZZFFF-LJQANCHMSA-N 1 2 340.471 3.249 20 30 EGEDLO C=CCCn1cc(C[NH+]2CCC(OCC3CCCCC3)CC2)nn1 ZINC000653559725 461722742 /nfs/dbraw/zinc/72/27/42/461722742.db2.gz PSPCQNAAAOFCIV-UHFFFAOYSA-N 1 2 332.492 3.416 20 30 EGEDLO C=CCCC(C)(C)NC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000663657202 461738087 /nfs/dbraw/zinc/73/80/87/461738087.db2.gz BXMKVGLGXATOQW-GOSISDBHSA-N 1 2 345.487 3.104 20 30 EGEDLO C=CCCn1cc(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)nn1 ZINC000653596345 461748699 /nfs/dbraw/zinc/74/86/99/461748699.db2.gz PQFQZIZRALZBIZ-UHFFFAOYSA-N 1 2 344.434 3.175 20 30 EGEDLO C=CCCn1cc(C[N@@H+]2[C@H](C)Cc3cc(OC)ccc3[C@@H]2C)nn1 ZINC000653612029 461758766 /nfs/dbraw/zinc/75/87/66/461758766.db2.gz YMNDHDZWYZQSAZ-CABCVRRESA-N 1 2 326.444 3.371 20 30 EGEDLO C=CCCn1cc(C[N@H+]2[C@H](C)Cc3cc(OC)ccc3[C@@H]2C)nn1 ZINC000653612029 461758775 /nfs/dbraw/zinc/75/87/75/461758775.db2.gz YMNDHDZWYZQSAZ-CABCVRRESA-N 1 2 326.444 3.371 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1c(OC)cccc1OC ZINC000639162938 461774396 /nfs/dbraw/zinc/77/43/96/461774396.db2.gz VCZUDPOUOXCRIJ-UHFFFAOYSA-N 1 2 331.412 3.367 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1c(OC)cccc1OC ZINC000639162938 461774403 /nfs/dbraw/zinc/77/44/03/461774403.db2.gz VCZUDPOUOXCRIJ-UHFFFAOYSA-N 1 2 331.412 3.367 20 30 EGEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c2ccccc21 ZINC000661151154 462125073 /nfs/dbraw/zinc/12/50/73/462125073.db2.gz YEGZKLFKJKAHNA-MRXNPFEDSA-N 1 2 334.423 3.363 20 30 EGEDLO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@H](CC#N)C2)c2ccccc21 ZINC000661151154 462125082 /nfs/dbraw/zinc/12/50/82/462125082.db2.gz YEGZKLFKJKAHNA-MRXNPFEDSA-N 1 2 334.423 3.363 20 30 EGEDLO C=CCCn1cc(C[NH2+]Cc2ccncc2OCc2ccccc2)nn1 ZINC000657460319 462137350 /nfs/dbraw/zinc/13/73/50/462137350.db2.gz DUIJDHMLUGWNSY-UHFFFAOYSA-N 1 2 349.438 3.118 20 30 EGEDLO C=C(CNC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F)c1ccccc1 ZINC000655079477 462474367 /nfs/dbraw/zinc/47/43/67/462474367.db2.gz YHUCMBQKRSNUKP-CQSZACIVSA-N 1 2 337.345 3.286 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000662055867 462514483 /nfs/dbraw/zinc/51/44/83/462514483.db2.gz NVSXDSKENALDEE-CQSZACIVSA-N 1 2 345.270 3.041 20 30 EGEDLO C[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191320855 534065027 /nfs/dbraw/zinc/06/50/27/534065027.db2.gz HDPJGFDDHPLDAG-AWEZNQCLSA-N 1 2 344.409 3.054 20 30 EGEDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000191320855 534065032 /nfs/dbraw/zinc/06/50/32/534065032.db2.gz HDPJGFDDHPLDAG-AWEZNQCLSA-N 1 2 344.409 3.054 20 30 EGEDLO Cc1cn2cc(NC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)ccc2[nH+]1 ZINC000328874759 547486702 /nfs/dbraw/zinc/48/67/02/547486702.db2.gz ZGRHRONQZXBQRD-ZDUSSCGKSA-N 1 2 326.400 3.022 20 30 EGEDLO Cc1cc(C)cc(C(=O)N2CCCC[C@H]2C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000329197110 547491734 /nfs/dbraw/zinc/49/17/34/547491734.db2.gz WBSMFPCCHOPYPL-KRWDZBQOSA-N 1 2 340.427 3.178 20 30 EGEDLO Cc1cc(C)cc(C(=O)N2CCCC[C@H]2C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000329197110 547491741 /nfs/dbraw/zinc/49/17/41/547491741.db2.gz WBSMFPCCHOPYPL-KRWDZBQOSA-N 1 2 340.427 3.178 20 30 EGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NCC1(C(F)(F)F)CC1)C2 ZINC000329318450 547495385 /nfs/dbraw/zinc/49/53/85/547495385.db2.gz IGJZSGYIWPMBFI-UHFFFAOYSA-N 1 2 344.381 3.158 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000680999643 549940213 /nfs/dbraw/zinc/94/02/13/549940213.db2.gz ORVIQUIIHZUGEF-MRXNPFEDSA-N 1 2 331.460 3.024 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000680999643 549940214 /nfs/dbraw/zinc/94/02/14/549940214.db2.gz ORVIQUIIHZUGEF-MRXNPFEDSA-N 1 2 331.460 3.024 20 30 EGEDLO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccc(F)cc1C#N ZINC000728569236 574758845 /nfs/dbraw/zinc/75/88/45/574758845.db2.gz BLHGLDUPKZJRSL-UHFFFAOYSA-N 1 2 337.398 3.222 20 30 EGEDLO C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccc(F)cc1C#N ZINC000728569236 574758847 /nfs/dbraw/zinc/75/88/47/574758847.db2.gz BLHGLDUPKZJRSL-UHFFFAOYSA-N 1 2 337.398 3.222 20 30 EGEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc2ccccc2n1CC#N ZINC000729336876 574843652 /nfs/dbraw/zinc/84/36/52/574843652.db2.gz AMNYKSOKXQFHHJ-GOSISDBHSA-N 1 2 349.438 3.206 20 30 EGEDLO Cc1ccc(N[NH+]=Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)nn1 ZINC000729935975 574897187 /nfs/dbraw/zinc/89/71/87/574897187.db2.gz ZVUNRKVCQVSWOY-UHFFFAOYSA-N 1 2 340.387 3.130 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC(C)C)c(Cl)c1 ZINC000730097432 574919735 /nfs/dbraw/zinc/91/97/35/574919735.db2.gz XIZBFHMAJNGQRO-INIZCTEOSA-N 1 2 334.847 3.411 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC(C)C)c(Cl)c1 ZINC000730097432 574919737 /nfs/dbraw/zinc/91/97/37/574919737.db2.gz XIZBFHMAJNGQRO-INIZCTEOSA-N 1 2 334.847 3.411 20 30 EGEDLO COc1cc2c(cc1C=NNc1cc[nH+]c3ccccc13)O[C@H](C)C2 ZINC000730147398 574925371 /nfs/dbraw/zinc/92/53/71/574925371.db2.gz DGXIEFZXVOBVJU-CYBMUJFWSA-N 1 2 333.391 3.435 20 30 EGEDLO O=C1Nc2c(c(Cl)ccc2F)C1=NNc1cc[nH+]c2ccccc12 ZINC000730147386 574925395 /nfs/dbraw/zinc/92/53/95/574925395.db2.gz DBPBLWJIXZOGBF-UHFFFAOYSA-N 1 2 340.745 3.218 20 30 EGEDLO C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)c2cc(C)c(C)cc2C)CC1 ZINC000735937340 575734644 /nfs/dbraw/zinc/73/46/44/575734644.db2.gz HRBBBKWOJISPSD-KRWDZBQOSA-N 1 2 341.451 3.071 20 30 EGEDLO C[C@H](C(=O)OCc1ccc(F)cc1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000740988302 576643775 /nfs/dbraw/zinc/64/37/75/576643775.db2.gz XXWSLMBBIQKMDK-CQSZACIVSA-N 1 2 338.382 3.187 20 30 EGEDLO C[C@H](C(=O)OCc1ccc(F)cc1C#N)[N@H+]1CCc2ccccc2C1 ZINC000740988302 576643776 /nfs/dbraw/zinc/64/37/76/576643776.db2.gz XXWSLMBBIQKMDK-CQSZACIVSA-N 1 2 338.382 3.187 20 30 EGEDLO C#CCOc1ccc(F)cc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000741641361 576707554 /nfs/dbraw/zinc/70/75/54/576707554.db2.gz OKHRPKSBSYGTJC-UHFFFAOYSA-N 1 2 349.365 3.335 20 30 EGEDLO C#CCCCNC(=O)c1ccc(OCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000742785645 576795446 /nfs/dbraw/zinc/79/54/46/576795446.db2.gz BAUBBLHZLSPOTJ-UHFFFAOYSA-N 1 2 347.418 3.365 20 30 EGEDLO C#CCC[NH+]1CCN(C(=O)CSc2ccc3ccccc3c2)CC1 ZINC000744371297 576826663 /nfs/dbraw/zinc/82/66/63/576826663.db2.gz RPHYGCZEOFHXCJ-UHFFFAOYSA-N 1 2 338.476 3.099 20 30 EGEDLO Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1C=[NH+]Nc1ccccc1 ZINC000744526170 576830594 /nfs/dbraw/zinc/83/05/94/576830594.db2.gz QKAVOVYYMRTVNJ-UHFFFAOYSA-N 1 2 341.374 3.407 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000745101675 576841345 /nfs/dbraw/zinc/84/13/45/576841345.db2.gz RWQBZJVJWLUVTL-WMZOPIPTSA-N 1 2 346.471 3.036 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000745101675 576841346 /nfs/dbraw/zinc/84/13/46/576841346.db2.gz RWQBZJVJWLUVTL-WMZOPIPTSA-N 1 2 346.471 3.036 20 30 EGEDLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)O[NH+]=C(N)c1ccccc1 ZINC000021387717 1291198130 /nfs/dbraw/zinc/19/81/30/1291198130.db2.gz SAIWZRVHIWSRIB-GFCCVEGCSA-N 1 2 331.803 3.313 20 30 EGEDLO COC(=O)C1(C#N)CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000828976423 1292523921 /nfs/dbraw/zinc/52/39/21/1292523921.db2.gz XVGWRJMTTFVNGW-UHFFFAOYSA-N 1 2 347.777 3.310 20 30 EGEDLO Fc1cccc(N2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)n1 ZINC000831486101 1292870146 /nfs/dbraw/zinc/87/01/46/1292870146.db2.gz MPDNNAFZVSDSET-UHFFFAOYSA-N 1 2 329.806 3.048 20 30 EGEDLO N#CC1(COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCCC1 ZINC000835283372 1293251925 /nfs/dbraw/zinc/25/19/25/1293251925.db2.gz WTLGJLJXQYQHHE-UHFFFAOYSA-N 1 2 340.339 3.021 20 30 EGEDLO COc1ccc(C#N)cc1C[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000158130976 1294196980 /nfs/dbraw/zinc/19/69/80/1294196980.db2.gz ANCWKAMMKGOZPO-UHFFFAOYSA-N 1 2 345.443 3.010 20 30 EGEDLO COc1ccc(C#N)cc1C[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000158130976 1294196985 /nfs/dbraw/zinc/19/69/85/1294196985.db2.gz ANCWKAMMKGOZPO-UHFFFAOYSA-N 1 2 345.443 3.010 20 30 EGEDLO COc1ccc(CC(N)=[NH+]OCc2noc(C3CCCCC3)n2)cc1 ZINC000160722353 1294276365 /nfs/dbraw/zinc/27/63/65/1294276365.db2.gz OGRIGVSPCTWKOB-UHFFFAOYSA-N 1 2 344.415 3.157 20 30 EGEDLO CCOc1cc(C#N)ccc1OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000171298559 1294402152 /nfs/dbraw/zinc/40/21/52/1294402152.db2.gz OZRJLEJTHLTMJH-UHFFFAOYSA-N 1 2 333.347 3.362 20 30 EGEDLO N#Cc1ccccc1N1CC[NH+](C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000174776170 1294523314 /nfs/dbraw/zinc/52/33/14/1294523314.db2.gz XWCAVVIPICCUBT-IBGZPJMESA-N 1 2 341.842 3.067 20 30 EGEDLO N#C[C@@H](COC(=O)c1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000181183445 1294945973 /nfs/dbraw/zinc/94/59/73/1294945973.db2.gz WQANNFFZHRTVLG-KRWDZBQOSA-N 1 2 331.375 3.412 20 30 EGEDLO CC(C)(C)OC(=O)c1cccc(CO[NH+]=C(N)Cc2cccnc2)c1 ZINC000192555771 1295775589 /nfs/dbraw/zinc/77/55/89/1295775589.db2.gz OSIRSWAARFJWIE-UHFFFAOYSA-N 1 2 341.411 3.068 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000247481504 1296393933 /nfs/dbraw/zinc/39/39/33/1296393933.db2.gz FQJUIOFFDGFXSU-MBOZVWFJSA-N 1 2 328.456 3.038 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000247481504 1296393950 /nfs/dbraw/zinc/39/39/50/1296393950.db2.gz FQJUIOFFDGFXSU-MBOZVWFJSA-N 1 2 328.456 3.038 20 30 EGEDLO Oc1ccc(Br)cc1/C=N\[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000255592986 1296550556 /nfs/dbraw/zinc/55/05/56/1296550556.db2.gz UWDCXNHRXVLFDH-SAGYFLTASA-N 1 2 346.228 3.248 20 30 EGEDLO O=[N+]([O-])c1ccc(O)c(/C=N\CCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000255903005 1296578070 /nfs/dbraw/zinc/57/80/70/1296578070.db2.gz WQNGHBGQBQVZDV-MOSHPQCFSA-N 1 2 339.395 3.168 20 30 EGEDLO O=[N+]([O-])c1ccc(O)c(/C=N\CCC[N@H+]2CCc3ccccc3C2)c1 ZINC000255903005 1296578078 /nfs/dbraw/zinc/57/80/78/1296578078.db2.gz WQNGHBGQBQVZDV-MOSHPQCFSA-N 1 2 339.395 3.168 20 30 EGEDLO Cc1nc(NCc2ccc(C#N)cc2F)c(Br)c(C)[nH+]1 ZINC000323316324 1297196706 /nfs/dbraw/zinc/19/67/06/1297196706.db2.gz RGBOLMGTUYEHPW-UHFFFAOYSA-N 1 2 335.180 3.479 20 30 EGEDLO Cc1ccc(C#N)cc1NC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000746674004 1298638194 /nfs/dbraw/zinc/63/81/94/1298638194.db2.gz GBNCOSSLYXEEEF-INIZCTEOSA-N 1 2 325.416 3.300 20 30 EGEDLO Cn1c[nH+]cc1COC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000747780825 1298858666 /nfs/dbraw/zinc/85/86/66/1298858666.db2.gz JQOXXIPIKMOXOF-UHFFFAOYSA-N 1 2 347.374 3.228 20 30 EGEDLO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000749155075 1299155060 /nfs/dbraw/zinc/15/50/60/1299155060.db2.gz LQOCGCPREKVZMG-CYBMUJFWSA-N 1 2 343.452 3.101 20 30 EGEDLO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000749155075 1299155064 /nfs/dbraw/zinc/15/50/64/1299155064.db2.gz LQOCGCPREKVZMG-CYBMUJFWSA-N 1 2 343.452 3.101 20 30 EGEDLO CO[C@@H](C)c1nc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cs1 ZINC000752267040 1299716592 /nfs/dbraw/zinc/71/65/92/1299716592.db2.gz VIYPSWUTCJWHAK-STQMWFEESA-N 1 2 331.441 3.431 20 30 EGEDLO Cc1nc(NCc2cccc(C(=O)OCCC(C)(C)C#N)c2)cc[nH+]1 ZINC000754953112 1300252485 /nfs/dbraw/zinc/25/24/85/1300252485.db2.gz WDBWJPDVKMVFOY-UHFFFAOYSA-N 1 2 338.411 3.494 20 30 EGEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1cccc2ccccc21 ZINC000755680610 1300378707 /nfs/dbraw/zinc/37/87/07/1300378707.db2.gz PQFXNZMJYPGDFR-UHFFFAOYSA-N 1 2 349.438 3.164 20 30 EGEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3cn(-c4ccccc4)nn3)n21 ZINC000759122134 1301018980 /nfs/dbraw/zinc/01/89/80/1301018980.db2.gz RQOQSRUXXIODGJ-KHPPLWFESA-N 1 2 329.363 3.120 20 30 EGEDLO C#CCOc1ccc(-c2nc(Cc3cn4cccc(C)c4[nH+]3)no2)cc1 ZINC000761890666 1301561615 /nfs/dbraw/zinc/56/16/15/1301561615.db2.gz KQWLSTPYXAATBM-UHFFFAOYSA-N 1 2 344.374 3.296 20 30 EGEDLO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883136200 1302265902 /nfs/dbraw/zinc/26/59/02/1302265902.db2.gz XCIWFVKSUWJEKV-OLZOCXBDSA-N 1 2 330.197 3.117 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000883134846 1302266077 /nfs/dbraw/zinc/26/60/77/1302266077.db2.gz LBMCASWFXUAXGV-NEPJUHHUSA-N 1 2 332.625 3.241 20 30 EGEDLO COc1ccccc1[C@H]1CCC[N@@H+]1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766619844 1302491151 /nfs/dbraw/zinc/49/11/51/1302491151.db2.gz OCBGBQYOLTVZNL-LJQANCHMSA-N 1 2 349.434 3.012 20 30 EGEDLO COc1ccccc1[C@H]1CCC[N@H+]1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766619844 1302491158 /nfs/dbraw/zinc/49/11/58/1302491158.db2.gz OCBGBQYOLTVZNL-LJQANCHMSA-N 1 2 349.434 3.012 20 30 EGEDLO CC(=[NH+]NC(=S)NCc1ccccc1)c1ccccc1N(C)C ZINC000769566687 1303141919 /nfs/dbraw/zinc/14/19/19/1303141919.db2.gz HFVARDNOJJEYOV-UHFFFAOYSA-N 1 2 326.469 3.141 20 30 EGEDLO C#C[C@H](C)[N@H+](C)Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000769978288 1303201200 /nfs/dbraw/zinc/20/12/00/1303201200.db2.gz WHAZRMTVXXLQPK-INIZCTEOSA-N 1 2 327.449 3.281 20 30 EGEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000769978288 1303201203 /nfs/dbraw/zinc/20/12/03/1303201203.db2.gz WHAZRMTVXXLQPK-INIZCTEOSA-N 1 2 327.449 3.281 20 30 EGEDLO Clc1ccc(-c2noc(N=NCc3cccc4[nH+]ccn43)n2)cc1 ZINC000771101020 1303360866 /nfs/dbraw/zinc/36/08/66/1303360866.db2.gz QBDLGAQJNHDHCK-UHFFFAOYSA-N 1 2 338.758 3.484 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)cs2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC000775969048 1304070884 /nfs/dbraw/zinc/07/08/84/1304070884.db2.gz PDZHAQCEQYRJKE-CHWSQXEVSA-N 1 2 335.473 3.449 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC000775969048 1304070889 /nfs/dbraw/zinc/07/08/89/1304070889.db2.gz PDZHAQCEQYRJKE-CHWSQXEVSA-N 1 2 335.473 3.449 20 30 EGEDLO CC(=[NH+]Nc1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1N(C)C ZINC000776261700 1304123050 /nfs/dbraw/zinc/12/30/50/1304123050.db2.gz RDECLLPBANAEJI-UHFFFAOYSA-N 1 2 349.431 3.131 20 30 EGEDLO N#Cc1ccccc1Oc1ccccc1C(=O)OCCn1cc[nH+]c1 ZINC000778177591 1304411384 /nfs/dbraw/zinc/41/13/84/1304411384.db2.gz IEVBGXADXYHLCI-UHFFFAOYSA-N 1 2 333.347 3.404 20 30 EGEDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)O[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000778595154 1304471868 /nfs/dbraw/zinc/47/18/68/1304471868.db2.gz LIOJBBZNFVTEQW-LBPRGKRZSA-N 1 2 341.367 3.236 20 30 EGEDLO COc1ccc(N=NC2CCN(c3ccc([NH+](C)C)cc3)CC2)nc1 ZINC000780274988 1304669697 /nfs/dbraw/zinc/66/96/97/1304669697.db2.gz MTHHGFCWCAVRJW-UHFFFAOYSA-N 1 2 339.443 3.225 20 30 EGEDLO COc1ccccc1CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782948271 1305027823 /nfs/dbraw/zinc/02/78/23/1305027823.db2.gz JBLBTDTXWWWMII-UHFFFAOYSA-N 1 2 335.201 3.295 20 30 EGEDLO Cc1cc(NC2CCN(c3ccc(C#N)cn3)CC2)nc(C2CCC2)[nH+]1 ZINC000892297422 1305309458 /nfs/dbraw/zinc/30/94/58/1305309458.db2.gz NHXRITYRAAGLFX-UHFFFAOYSA-N 1 2 348.454 3.400 20 30 EGEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000785997454 1305489911 /nfs/dbraw/zinc/48/99/11/1305489911.db2.gz PAFPGWIGHYVYMY-INIZCTEOSA-N 1 2 343.471 3.051 20 30 EGEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000785997454 1305489922 /nfs/dbraw/zinc/48/99/22/1305489922.db2.gz PAFPGWIGHYVYMY-INIZCTEOSA-N 1 2 343.471 3.051 20 30 EGEDLO Cc1cc(C#N)nc(NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1 ZINC000892681744 1305506192 /nfs/dbraw/zinc/50/61/92/1305506192.db2.gz NMZFJRIEQJKLFI-UHFFFAOYSA-N 1 2 335.455 3.409 20 30 EGEDLO C#Cc1ccc(C[NH+]2CCN(c3ccc(C(C)=O)cc3F)CC2)cc1 ZINC000787771993 1305791486 /nfs/dbraw/zinc/79/14/86/1305791486.db2.gz BBBKINNHJPBAIH-UHFFFAOYSA-N 1 2 336.410 3.332 20 30 EGEDLO C#CCC1(C(=O)N2CC[NH+](Cc3cccs3)CC2)CCCCC1 ZINC000788136313 1305875619 /nfs/dbraw/zinc/87/56/19/1305875619.db2.gz MSPRQZOLOBIYES-UHFFFAOYSA-N 1 2 330.497 3.366 20 30 EGEDLO COc1cc(N[NH+]=Cc2cnc(N3CCCC3)nc2)ccc1Cl ZINC000788467699 1305949614 /nfs/dbraw/zinc/94/96/14/1305949614.db2.gz MFZWGITYJHRPNB-UHFFFAOYSA-N 1 2 331.807 3.185 20 30 EGEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1ccc2c(cc[nH]c2=O)c1 ZINC000789062693 1306078937 /nfs/dbraw/zinc/07/89/37/1306078937.db2.gz QHJPGZCTVKBKIM-UHFFFAOYSA-N 1 2 332.407 3.332 20 30 EGEDLO COc1ccc(C=NNc2[nH+]ccn2C)cc1OCc1ccccc1 ZINC000790305846 1306295656 /nfs/dbraw/zinc/29/56/56/1306295656.db2.gz PEKIIYCWSSJBTA-UHFFFAOYSA-N 1 2 336.395 3.454 20 30 EGEDLO C#Cc1cccc(NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)c1 ZINC000792916468 1309258557 /nfs/dbraw/zinc/25/85/57/1309258557.db2.gz XDECGOKUOSMKKP-UHFFFAOYSA-N 1 2 325.318 3.243 20 30 EGEDLO COc1c(C)c[nH+]c(CNC(=O)C[C@@H](CC#N)c2ccccc2)c1C ZINC000793300739 1309342981 /nfs/dbraw/zinc/34/29/81/1309342981.db2.gz YJPDJYSWTRVMOB-QGZVFWFLSA-N 1 2 337.423 3.411 20 30 EGEDLO CC1(C#N)CC[NH+](CN2CC[C@H](CCc3ccccc3)C2=O)CC1 ZINC000793512233 1309389109 /nfs/dbraw/zinc/38/91/09/1309389109.db2.gz PVXQUMBBZIDBLI-SFHVURJKSA-N 1 2 325.456 3.051 20 30 EGEDLO Cn1c(CC#N)nn(C[N@H+](C)Cc2cccc3ccccc32)c1=S ZINC000794620975 1309556086 /nfs/dbraw/zinc/55/60/86/1309556086.db2.gz NJADJKLPFLVPHN-UHFFFAOYSA-N 1 2 337.452 3.260 20 30 EGEDLO Cn1c(CC#N)nn(C[N@@H+](C)Cc2cccc3ccccc32)c1=S ZINC000794620975 1309556096 /nfs/dbraw/zinc/55/60/96/1309556096.db2.gz NJADJKLPFLVPHN-UHFFFAOYSA-N 1 2 337.452 3.260 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Oc1ccc(C#N)cc1 ZINC000796506161 1310016800 /nfs/dbraw/zinc/01/68/00/1310016800.db2.gz KRRPEBFPZYOBIN-UHFFFAOYSA-N 1 2 327.290 3.100 20 30 EGEDLO Cc1ccc(C(=O)/C=C/C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000900137239 1317241795 /nfs/dbraw/zinc/24/17/95/1317241795.db2.gz YECJTGHVNYKWTD-KBOKABMXSA-N 1 2 342.464 3.215 20 30 EGEDLO CCS(=O)(=O)Nc1ccc(C(=O)/C=C/c2c[nH+]cn2C(C)C)cc1 ZINC000901472575 1317433997 /nfs/dbraw/zinc/43/39/97/1317433997.db2.gz LXKXHUSXEBJQOE-MDZDMXLPSA-N 1 2 347.440 3.122 20 30 EGEDLO Cc1nc(C[NH+]2CCC(C(=O)O[C@@H](C)C(C)(C)C#N)CC2)cs1 ZINC000805901312 1317436730 /nfs/dbraw/zinc/43/67/30/1317436730.db2.gz GJJJMJVNESMOKP-LBPRGKRZSA-N 1 2 335.473 3.145 20 30 EGEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3cccc(-n4ccnn4)c3)n2c1 ZINC000806575573 1317505010 /nfs/dbraw/zinc/50/50/10/1317505010.db2.gz GZNLHHMCHVVURL-VOTSOKGWSA-N 1 2 329.363 3.120 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](c2ccc(F)cc2)CC1=O ZINC000902048792 1317513387 /nfs/dbraw/zinc/51/33/87/1317513387.db2.gz INHREBIIPBUMLF-SFHVURJKSA-N 1 2 337.398 3.103 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](c2ccc(F)cc2)CC1=O ZINC000902048792 1317513391 /nfs/dbraw/zinc/51/33/91/1317513391.db2.gz INHREBIIPBUMLF-SFHVURJKSA-N 1 2 337.398 3.103 20 30 EGEDLO Cc1cc([N+](=O)[O-])ccc1N[NH+]=Cc1ccc(N2CCOCC2)s1 ZINC000807989869 1317608368 /nfs/dbraw/zinc/60/83/68/1317608368.db2.gz PBDJOYQDGJGTLK-UHFFFAOYSA-N 1 2 346.412 3.247 20 30 EGEDLO C=C[C@@H](C(=O)N1CC[NH+](Cc2ncccc2C)CC1)c1ccccc1 ZINC000957744069 1317609351 /nfs/dbraw/zinc/60/93/51/1317609351.db2.gz JQECFYHZOBYRAS-LJQANCHMSA-N 1 2 335.451 3.004 20 30 EGEDLO C#CC[N@H+](Cc1cnnn1-c1ccccc1)[C@@H]1CCc2ccccc21 ZINC000808711620 1317720708 /nfs/dbraw/zinc/72/07/08/1317720708.db2.gz MVWSKQPDJPWPBC-OAQYLSRUSA-N 1 2 328.419 3.390 20 30 EGEDLO C#CC[N@@H+](Cc1cnnn1-c1ccccc1)[C@@H]1CCc2ccccc21 ZINC000808711620 1317720714 /nfs/dbraw/zinc/72/07/14/1317720714.db2.gz MVWSKQPDJPWPBC-OAQYLSRUSA-N 1 2 328.419 3.390 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]Cc2ccc3occc3c2)C1 ZINC000809638925 1317854369 /nfs/dbraw/zinc/85/43/69/1317854369.db2.gz GHHBCJBRYUNNOX-CVEARBPZSA-N 1 2 341.411 3.281 20 30 EGEDLO Cc1cc(C#N)ccc1COC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000810638049 1318036917 /nfs/dbraw/zinc/03/69/17/1318036917.db2.gz MRSJBEXPJLOCAJ-UHFFFAOYSA-N 1 2 345.402 3.397 20 30 EGEDLO CC[C@](C)(C#N)C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907816790 1318268249 /nfs/dbraw/zinc/26/82/49/1318268249.db2.gz XUSIVQUMWCZKGL-IFXJQAMLSA-N 1 2 328.460 3.371 20 30 EGEDLO CC[C@](C)(C#N)C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907816790 1318268256 /nfs/dbraw/zinc/26/82/56/1318268256.db2.gz XUSIVQUMWCZKGL-IFXJQAMLSA-N 1 2 328.460 3.371 20 30 EGEDLO CN(CCO)c1ccc(C=[NH+]Nc2ccccc2Br)cc1 ZINC000812462501 1318398420 /nfs/dbraw/zinc/39/84/20/1318398420.db2.gz OTFOIARUARMNJN-UHFFFAOYSA-N 1 2 348.244 3.324 20 30 EGEDLO CCCCc1nc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@H](C)C#N)cs1 ZINC000960501258 1318609336 /nfs/dbraw/zinc/60/93/36/1318609336.db2.gz KLQDUYHQORJDPM-GDBMZVCRSA-N 1 2 348.516 3.068 20 30 EGEDLO CCCCc1nc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@H](C)C#N)cs1 ZINC000960501258 1318609341 /nfs/dbraw/zinc/60/93/41/1318609341.db2.gz KLQDUYHQORJDPM-GDBMZVCRSA-N 1 2 348.516 3.068 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)[C@@H]1CC1(C)C ZINC000960564987 1318697485 /nfs/dbraw/zinc/69/74/85/1318697485.db2.gz RVNYEUMRQQMALN-ROUUACIJSA-N 1 2 343.446 3.166 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)[C@@H]1CC1(C)C ZINC000960564987 1318697492 /nfs/dbraw/zinc/69/74/92/1318697492.db2.gz RVNYEUMRQQMALN-ROUUACIJSA-N 1 2 343.446 3.166 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1csc(C)n1 ZINC000960826057 1318951213 /nfs/dbraw/zinc/95/12/13/1318951213.db2.gz IHJNUDKXJIWTAK-FUHWJXTLSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1csc(C)n1 ZINC000960826057 1318951219 /nfs/dbraw/zinc/95/12/19/1318951219.db2.gz IHJNUDKXJIWTAK-FUHWJXTLSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2nc(C)oc2C)CC1 ZINC000960832886 1318962081 /nfs/dbraw/zinc/96/20/81/1318962081.db2.gz PXVQASSLSKHRCU-GOSISDBHSA-N 1 2 345.487 3.461 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2nc(C)oc2C)CC1 ZINC000960832886 1318962086 /nfs/dbraw/zinc/96/20/86/1318962086.db2.gz PXVQASSLSKHRCU-GOSISDBHSA-N 1 2 345.487 3.461 20 30 EGEDLO Fc1ccc(C=NOCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000817377658 1319344109 /nfs/dbraw/zinc/34/41/09/1319344109.db2.gz OVAXWBYUROKMBY-UHFFFAOYSA-N 1 2 328.387 3.209 20 30 EGEDLO CC(C)CC[C@@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000914596209 1319352868 /nfs/dbraw/zinc/35/28/68/1319352868.db2.gz FORKZWSEDTUCBC-CQSZACIVSA-N 1 2 340.471 3.471 20 30 EGEDLO CC(C)(C)OC(=O)NCC[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)C(F)F ZINC000824677357 1320276333 /nfs/dbraw/zinc/27/63/33/1320276333.db2.gz CGGJHQPMFGVTNW-AGIUHOORSA-N 1 2 331.407 3.207 20 30 EGEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(CC#N)c1 ZINC000836764247 1320531491 /nfs/dbraw/zinc/53/14/91/1320531491.db2.gz HRXFSRVGHQGKFA-INIZCTEOSA-N 1 2 325.416 3.186 20 30 EGEDLO CCCCCCC[C@H](C)CNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000839469555 1320926469 /nfs/dbraw/zinc/92/64/69/1320926469.db2.gz LFKMRNYBEAVUTN-HNNXBMFYSA-N 1 2 344.459 3.386 20 30 EGEDLO C#C[C@@H](CC)Oc1ccc(COC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000845533715 1321717300 /nfs/dbraw/zinc/71/73/00/1321717300.db2.gz ZSOHVEHKPSNJQD-WBVHZDCISA-N 1 2 326.396 3.368 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930923781 1329008465 /nfs/dbraw/zinc/00/84/65/1329008465.db2.gz QPPXEGANYZCMTF-NSHDSACASA-N 1 2 338.205 3.483 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930923781 1329008475 /nfs/dbraw/zinc/00/84/75/1329008475.db2.gz QPPXEGANYZCMTF-NSHDSACASA-N 1 2 338.205 3.483 20 30 EGEDLO C#Cc1ccccc1CC(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851400594 1323032349 /nfs/dbraw/zinc/03/23/49/1323032349.db2.gz JCECSIRXZZZGSJ-UHFFFAOYSA-N 1 2 334.419 3.065 20 30 EGEDLO N#Cc1ccc(CC[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000851747649 1323080820 /nfs/dbraw/zinc/08/08/20/1323080820.db2.gz HKCJOANWZMWHFL-IBGZPJMESA-N 1 2 328.362 3.452 20 30 EGEDLO N#Cc1ccc(CC[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000851747649 1323080825 /nfs/dbraw/zinc/08/08/25/1323080825.db2.gz HKCJOANWZMWHFL-IBGZPJMESA-N 1 2 328.362 3.452 20 30 EGEDLO C#CCOCC[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000852075701 1323142148 /nfs/dbraw/zinc/14/21/48/1323142148.db2.gz MHALAZRUOOKQLR-XJKSGUPXSA-N 1 2 327.346 3.117 20 30 EGEDLO C#CCOCC[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000852075701 1323142151 /nfs/dbraw/zinc/14/21/51/1323142151.db2.gz MHALAZRUOOKQLR-XJKSGUPXSA-N 1 2 327.346 3.117 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(=O)C1CCCCC1 ZINC001024304983 1323288307 /nfs/dbraw/zinc/28/83/07/1323288307.db2.gz IQYBUKUMHYXXKA-HNNXBMFYSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H]1CNC(=O)C1CCCCC1 ZINC001024304983 1323288310 /nfs/dbraw/zinc/28/83/10/1323288310.db2.gz IQYBUKUMHYXXKA-HNNXBMFYSA-N 1 2 343.309 3.446 20 30 EGEDLO Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)o1 ZINC001024318809 1323303773 /nfs/dbraw/zinc/30/37/73/1323303773.db2.gz NEZQCOFVWQJRQA-SFHVURJKSA-N 1 2 337.423 3.244 20 30 EGEDLO Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)o1 ZINC001024318809 1323303778 /nfs/dbraw/zinc/30/37/78/1323303778.db2.gz NEZQCOFVWQJRQA-SFHVURJKSA-N 1 2 337.423 3.244 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(F)ccc1F ZINC001024480413 1323433967 /nfs/dbraw/zinc/43/39/67/1323433967.db2.gz JTOZERABKWWWKW-CYBMUJFWSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(F)ccc1F ZINC001024480413 1323433972 /nfs/dbraw/zinc/43/39/72/1323433972.db2.gz JTOZERABKWWWKW-CYBMUJFWSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2ccccc2O1 ZINC001024714623 1323622557 /nfs/dbraw/zinc/62/25/57/1323622557.db2.gz YWAGMRAIFDONCI-SJLPKXTDSA-N 1 2 348.874 3.103 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2ccccc2O1 ZINC001024714623 1323622566 /nfs/dbraw/zinc/62/25/66/1323622566.db2.gz YWAGMRAIFDONCI-SJLPKXTDSA-N 1 2 348.874 3.103 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nc(C2CC2)no1 ZINC001025039402 1323841903 /nfs/dbraw/zinc/84/19/03/1323841903.db2.gz NHBIDOPJKLYFJU-OAHLLOKOSA-N 1 2 346.475 3.020 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(C(=O)NCC)cc1 ZINC000853161901 1325055088 /nfs/dbraw/zinc/05/50/88/1325055088.db2.gz FIQIWSPALVBRPO-UHFFFAOYSA-N 1 2 337.423 3.236 20 30 EGEDLO OC1CCN(c2ccc(C=[NH+]Nc3ccc(Cl)nc3)cc2)CC1 ZINC000853314206 1325079184 /nfs/dbraw/zinc/07/91/84/1325079184.db2.gz QXCOAZVXTVFQDI-UHFFFAOYSA-N 1 2 330.819 3.142 20 30 EGEDLO COc1cc(F)ccc1N[NH+]=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853339675 1325082633 /nfs/dbraw/zinc/08/26/33/1325082633.db2.gz WXYBINAWHHEFNL-UHFFFAOYSA-N 1 2 343.402 3.241 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)CC2CCCC2)C1 ZINC001027279374 1325403344 /nfs/dbraw/zinc/40/33/44/1325403344.db2.gz VSAWDZKZKFDROD-HNNXBMFYSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)CC2CCCC2)C1 ZINC001027279374 1325403347 /nfs/dbraw/zinc/40/33/47/1325403347.db2.gz VSAWDZKZKFDROD-HNNXBMFYSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)/C=C(/C)C2CC2)C1 ZINC001027313510 1325465901 /nfs/dbraw/zinc/46/59/01/1325465901.db2.gz GMRVQXNPAXSXQB-HMVFGEFZSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)/C=C(/C)C2CC2)C1 ZINC001027313510 1325465902 /nfs/dbraw/zinc/46/59/02/1325465902.db2.gz GMRVQXNPAXSXQB-HMVFGEFZSA-N 1 2 341.293 3.174 20 30 EGEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]([N@H+](C)Cc2csc(C(C)(C)C)n2)C1 ZINC001027330510 1325487433 /nfs/dbraw/zinc/48/74/33/1325487433.db2.gz RKWFHWOJGOBNQA-ZFWWWQNUSA-N 1 2 348.516 3.023 20 30 EGEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]([N@@H+](C)Cc2csc(C(C)(C)C)n2)C1 ZINC001027330510 1325487436 /nfs/dbraw/zinc/48/74/36/1325487436.db2.gz RKWFHWOJGOBNQA-ZFWWWQNUSA-N 1 2 348.516 3.023 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)c2coc(C)c2)C1 ZINC001027381937 1325580553 /nfs/dbraw/zinc/58/05/53/1325580553.db2.gz KJTXDLAKJXGZJM-AWEZNQCLSA-N 1 2 341.249 3.033 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)c2coc(C)c2)C1 ZINC001027381937 1325580558 /nfs/dbraw/zinc/58/05/58/1325580558.db2.gz KJTXDLAKJXGZJM-AWEZNQCLSA-N 1 2 341.249 3.033 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2nccs2)C1 ZINC001027425122 1327658078 /nfs/dbraw/zinc/65/80/78/1327658078.db2.gz FUZJRJGCPAJLKL-CYBMUJFWSA-N 1 2 341.908 3.345 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2nccs2)C1 ZINC001027425122 1327658083 /nfs/dbraw/zinc/65/80/83/1327658083.db2.gz FUZJRJGCPAJLKL-CYBMUJFWSA-N 1 2 341.908 3.345 20 30 EGEDLO N#Cc1ccccc1/C=C/C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927098307 1327861068 /nfs/dbraw/zinc/86/10/68/1327861068.db2.gz BLKPQMOLRKYQHH-CMDGGOBGSA-N 1 2 332.407 3.070 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001027565588 1327890745 /nfs/dbraw/zinc/89/07/45/1327890745.db2.gz YOGWHIUKNZEZFX-QLFBSQMISA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001027565588 1327890754 /nfs/dbraw/zinc/89/07/54/1327890754.db2.gz YOGWHIUKNZEZFX-QLFBSQMISA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC23CCC3)C1 ZINC001027595877 1327944180 /nfs/dbraw/zinc/94/41/80/1327944180.db2.gz IZSBHTGMZXOHOI-ZIAGYGMSSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC23CCC3)C1 ZINC001027595877 1327944185 /nfs/dbraw/zinc/94/41/85/1327944185.db2.gz IZSBHTGMZXOHOI-ZIAGYGMSSA-N 1 2 341.293 3.008 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2cccs2)cc1F ZINC001027733455 1328158189 /nfs/dbraw/zinc/15/81/89/1328158189.db2.gz CBDUWNNRCCHSPX-OAHLLOKOSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)c2cccs2)cc1F ZINC001027733455 1328158192 /nfs/dbraw/zinc/15/81/92/1328158192.db2.gz CBDUWNNRCCHSPX-OAHLLOKOSA-N 1 2 343.427 3.153 20 30 EGEDLO C[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C[C@@H]1NC(=O)C1(C)CC1 ZINC000966301580 1328261332 /nfs/dbraw/zinc/26/13/32/1328261332.db2.gz UYETZSJHUQLJOE-QAPCUYQASA-N 1 2 344.886 3.318 20 30 EGEDLO C[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C[C@@H]1NC(=O)C1(C)CC1 ZINC000966301580 1328261337 /nfs/dbraw/zinc/26/13/37/1328261337.db2.gz UYETZSJHUQLJOE-QAPCUYQASA-N 1 2 344.886 3.318 20 30 EGEDLO CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001049855055 1348062133 /nfs/dbraw/zinc/06/21/33/1348062133.db2.gz AOQHCVUVEWTNTR-ZWKOTPCHSA-N 1 2 343.446 3.309 20 30 EGEDLO CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001049855055 1348062136 /nfs/dbraw/zinc/06/21/36/1348062136.db2.gz AOQHCVUVEWTNTR-ZWKOTPCHSA-N 1 2 343.446 3.309 20 30 EGEDLO N#Cc1cccc(Br)c1N1CCC(n2cc[nH+]c2)CC1 ZINC000865486230 1329704138 /nfs/dbraw/zinc/70/41/38/1329704138.db2.gz NIEVKWSNWYFQFB-UHFFFAOYSA-N 1 2 331.217 3.359 20 30 EGEDLO CCO[C@@H](C)c1noc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC000933611780 1329905708 /nfs/dbraw/zinc/90/57/08/1329905708.db2.gz BBIPBRZYNQCKAO-AWEZNQCLSA-N 1 2 340.427 3.418 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)c2ccoc2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947060881 1332997139 /nfs/dbraw/zinc/99/71/39/1332997139.db2.gz KLPPVCIBMDMGRN-FZKQIMNGSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)c2ccoc2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947060881 1332997143 /nfs/dbraw/zinc/99/71/43/1332997143.db2.gz KLPPVCIBMDMGRN-FZKQIMNGSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)C=C2CCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947186086 1333042043 /nfs/dbraw/zinc/04/20/43/1333042043.db2.gz PMBVORVESUKBPX-LIRRHRJNSA-N 1 2 341.430 3.277 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)C=C2CCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947186086 1333042045 /nfs/dbraw/zinc/04/20/45/1333042045.db2.gz PMBVORVESUKBPX-LIRRHRJNSA-N 1 2 341.430 3.277 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[N@@H+](CC=C(Cl)Cl)CC1 ZINC001196769654 1368679892 /nfs/dbraw/zinc/67/98/92/1368679892.db2.gz GPJVNLLXNDLRTM-UHFFFAOYSA-N 1 2 331.287 3.423 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[N@H+](CC=C(Cl)Cl)CC1 ZINC001196769654 1368679899 /nfs/dbraw/zinc/67/98/99/1368679899.db2.gz GPJVNLLXNDLRTM-UHFFFAOYSA-N 1 2 331.287 3.423 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cocc2C)C[C@H]1C ZINC000947624028 1333197123 /nfs/dbraw/zinc/19/71/23/1333197123.db2.gz GFWXTFLAFAFUHD-OLZOCXBDSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cocc2C)C[C@H]1C ZINC000947624028 1333197125 /nfs/dbraw/zinc/19/71/25/1333197125.db2.gz GFWXTFLAFAFUHD-OLZOCXBDSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C2(C)CC(=C)C2)C[C@@H]1C ZINC000947702331 1333231639 /nfs/dbraw/zinc/23/16/39/1333231639.db2.gz MNHFJJXAADUVJM-UONOGXRCSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CC(=C)C2)C[C@@H]1C ZINC000947702331 1333231642 /nfs/dbraw/zinc/23/16/42/1333231642.db2.gz MNHFJJXAADUVJM-UONOGXRCSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CCC[N@@H+]([C@H](C)c3csnn3)CC2)C1 ZINC000948752757 1333662360 /nfs/dbraw/zinc/66/23/60/1333662360.db2.gz CDUOBXGEJNKUKI-CABCVRRESA-N 1 2 348.516 3.268 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CCC[N@H+]([C@H](C)c3csnn3)CC2)C1 ZINC000948752757 1333662362 /nfs/dbraw/zinc/66/23/62/1333662362.db2.gz CDUOBXGEJNKUKI-CABCVRRESA-N 1 2 348.516 3.268 20 30 EGEDLO C=CCn1cccc1C(=O)N1CC[NH+](Cc2cc(F)ccc2C)CC1 ZINC000948773007 1333673043 /nfs/dbraw/zinc/67/30/43/1333673043.db2.gz UDIZDIIFOLURGY-UHFFFAOYSA-N 1 2 341.430 3.080 20 30 EGEDLO C=CCn1cccc1C(=O)N1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC000948772895 1333673214 /nfs/dbraw/zinc/67/32/14/1333673214.db2.gz OSYQCNRUAUDFNO-UHFFFAOYSA-N 1 2 341.430 3.102 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1occ2c1CCC2 ZINC000948940184 1333741955 /nfs/dbraw/zinc/74/19/55/1333741955.db2.gz FODZURYRHWLMJL-FQEVSTJZSA-N 1 2 348.446 3.121 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1occ2c1CCC2 ZINC000948940184 1333741957 /nfs/dbraw/zinc/74/19/57/1333741957.db2.gz FODZURYRHWLMJL-FQEVSTJZSA-N 1 2 348.446 3.121 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1c(C)cccc1C ZINC000948961287 1333749344 /nfs/dbraw/zinc/74/93/44/1333749344.db2.gz JWSYQHXFUXIWLT-FQEVSTJZSA-N 1 2 332.447 3.266 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1c(C)cccc1C ZINC000948961287 1333749346 /nfs/dbraw/zinc/74/93/46/1333749346.db2.gz JWSYQHXFUXIWLT-FQEVSTJZSA-N 1 2 332.447 3.266 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C)ccc1C ZINC000948982675 1333757746 /nfs/dbraw/zinc/75/77/46/1333757746.db2.gz PJMQAGDKFGUVRB-OAQYLSRUSA-N 1 2 332.447 3.266 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C)ccc1C ZINC000948982675 1333757750 /nfs/dbraw/zinc/75/77/50/1333757750.db2.gz PJMQAGDKFGUVRB-OAQYLSRUSA-N 1 2 332.447 3.266 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccccc1Cl ZINC000948983262 1333758656 /nfs/dbraw/zinc/75/86/56/1333758656.db2.gz XRDCVPQXVJIHFB-LJQANCHMSA-N 1 2 338.838 3.302 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccccc1Cl ZINC000948983262 1333758660 /nfs/dbraw/zinc/75/86/60/1333758660.db2.gz XRDCVPQXVJIHFB-LJQANCHMSA-N 1 2 338.838 3.302 20 30 EGEDLO C#Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000949597049 1333880944 /nfs/dbraw/zinc/88/09/44/1333880944.db2.gz KTSHPIADZGIYJI-INIZCTEOSA-N 1 2 336.410 3.326 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC000949635798 1333886860 /nfs/dbraw/zinc/88/68/60/1333886860.db2.gz RHMZOJWJMWLKBR-QZTJIDSGSA-N 1 2 336.520 3.328 20 30 EGEDLO C=C[C@H](C(=O)N1CCC[C@@H]1CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001063491282 1351887235 /nfs/dbraw/zinc/88/72/35/1351887235.db2.gz BBDXDCXNFTXBMM-MSOLQXFVSA-N 1 2 336.439 3.158 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2sc3ccccc3c2C)C1 ZINC000950815013 1334134614 /nfs/dbraw/zinc/13/46/14/1334134614.db2.gz PGORZLTVBCVDMY-UHFFFAOYSA-N 1 2 326.465 3.379 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(C)n(CC)c2C)C1 ZINC000967273411 1335683464 /nfs/dbraw/zinc/68/34/64/1335683464.db2.gz LOEVOTIPBBVFKU-YVEFUNNKSA-N 1 2 337.895 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(C)n(CC)c2C)C1 ZINC000967273411 1335683467 /nfs/dbraw/zinc/68/34/67/1335683467.db2.gz LOEVOTIPBBVFKU-YVEFUNNKSA-N 1 2 337.895 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc3c(cn2)CCCC3)C1 ZINC000967289767 1335690963 /nfs/dbraw/zinc/69/09/63/1335690963.db2.gz YFWSEZCTBVTOEN-UGSOOPFHSA-N 1 2 347.890 3.153 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc3c(cn2)CCCC3)C1 ZINC000967289767 1335690965 /nfs/dbraw/zinc/69/09/65/1335690965.db2.gz YFWSEZCTBVTOEN-UGSOOPFHSA-N 1 2 347.890 3.153 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)C2CCOCC2)C1 ZINC000967289061 1335691379 /nfs/dbraw/zinc/69/13/79/1335691379.db2.gz RATOAAJNSVDGEX-CJNGLKHVSA-N 1 2 342.911 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)C2CCOCC2)C1 ZINC000967289061 1335691382 /nfs/dbraw/zinc/69/13/82/1335691382.db2.gz RATOAAJNSVDGEX-CJNGLKHVSA-N 1 2 342.911 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC000968598888 1335979132 /nfs/dbraw/zinc/97/91/32/1335979132.db2.gz NFUCBILKWJCCGJ-YVEFUNNKSA-N 1 2 333.863 3.152 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC000968598888 1335979137 /nfs/dbraw/zinc/97/91/37/1335979137.db2.gz NFUCBILKWJCCGJ-YVEFUNNKSA-N 1 2 333.863 3.152 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1cnoc1C1CC1 ZINC000969097579 1336142119 /nfs/dbraw/zinc/14/21/19/1336142119.db2.gz NWBHUAUIULJGDW-AWEZNQCLSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1cnoc1C1CC1 ZINC000969097579 1336142121 /nfs/dbraw/zinc/14/21/21/1336142121.db2.gz NWBHUAUIULJGDW-AWEZNQCLSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cnoc1C1CC1 ZINC000969097581 1336142317 /nfs/dbraw/zinc/14/23/17/1336142317.db2.gz NWBHUAUIULJGDW-CQSZACIVSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1cnoc1C1CC1 ZINC000969097581 1336142318 /nfs/dbraw/zinc/14/23/18/1336142318.db2.gz NWBHUAUIULJGDW-CQSZACIVSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(-c3ccncc3)o2)C1 ZINC000969833410 1336252507 /nfs/dbraw/zinc/25/25/07/1336252507.db2.gz NFPPOYMFMWKIHF-ZDUSSCGKSA-N 1 2 345.830 3.144 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC2(C)C)CC1 ZINC001005850036 1336409594 /nfs/dbraw/zinc/40/95/94/1336409594.db2.gz XPLMWVYJOGSTFK-AWEZNQCLSA-N 1 2 343.309 3.254 20 30 EGEDLO C[C@@H]1C[C@@H]1CC(=O)N(C)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001005932273 1336424575 /nfs/dbraw/zinc/42/45/75/1336424575.db2.gz XCBXECBUNKKBDD-GDBMZVCRSA-N 1 2 343.446 3.166 20 30 EGEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)C1CCC1 ZINC001006515002 1336518522 /nfs/dbraw/zinc/51/85/22/1336518522.db2.gz MFXAWBJOZSRMMD-SFHVURJKSA-N 1 2 330.859 3.072 20 30 EGEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)C1CCC1 ZINC001006515002 1336518526 /nfs/dbraw/zinc/51/85/26/1336518526.db2.gz MFXAWBJOZSRMMD-SFHVURJKSA-N 1 2 330.859 3.072 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C[C@H]3C=CCC3)C2)c(F)c1 ZINC001006704785 1336559329 /nfs/dbraw/zinc/55/93/29/1336559329.db2.gz MJWDYOTUQGKBTN-MAUKXSAKSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C[C@H]3C=CCC3)C2)c(F)c1 ZINC001006704785 1336559331 /nfs/dbraw/zinc/55/93/31/1336559331.db2.gz MJWDYOTUQGKBTN-MAUKXSAKSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001007950849 1336737806 /nfs/dbraw/zinc/73/78/06/1336737806.db2.gz IETSEMWHKIYFHK-WBVHZDCISA-N 1 2 336.838 3.189 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001007950849 1336737807 /nfs/dbraw/zinc/73/78/07/1336737807.db2.gz IETSEMWHKIYFHK-WBVHZDCISA-N 1 2 336.838 3.189 20 30 EGEDLO CC1(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3cccc(Cl)c3)C2)CCC1 ZINC001008199074 1336790088 /nfs/dbraw/zinc/79/00/88/1336790088.db2.gz VCNSINUEXQIERC-GOSISDBHSA-N 1 2 344.886 3.462 20 30 EGEDLO CC1(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3cccc(Cl)c3)C2)CCC1 ZINC001008199074 1336790090 /nfs/dbraw/zinc/79/00/90/1336790090.db2.gz VCNSINUEXQIERC-GOSISDBHSA-N 1 2 344.886 3.462 20 30 EGEDLO CC(C)(C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1)C1CC1 ZINC001008259984 1336806711 /nfs/dbraw/zinc/80/67/11/1336806711.db2.gz WKAOJMZPDZVUBF-KRWDZBQOSA-N 1 2 343.446 3.214 20 30 EGEDLO CC(C)(C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1)C1CC1 ZINC001008259984 1336806713 /nfs/dbraw/zinc/80/67/13/1336806713.db2.gz WKAOJMZPDZVUBF-KRWDZBQOSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(Cl)nc3)C2)C1 ZINC001008437866 1336853047 /nfs/dbraw/zinc/85/30/47/1336853047.db2.gz QVILPKSGINNJKF-HNNXBMFYSA-N 1 2 333.863 3.172 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(Cl)nc3)C2)C1 ZINC001008437866 1336853049 /nfs/dbraw/zinc/85/30/49/1336853049.db2.gz QVILPKSGINNJKF-HNNXBMFYSA-N 1 2 333.863 3.172 20 30 EGEDLO CC1(C)CC[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001008450987 1336856966 /nfs/dbraw/zinc/85/69/66/1336856966.db2.gz SAYUZGOPPTXAMZ-APWZRJJASA-N 1 2 339.483 3.465 20 30 EGEDLO CC1(C)CC[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001008450987 1336856968 /nfs/dbraw/zinc/85/69/68/1336856968.db2.gz SAYUZGOPPTXAMZ-APWZRJJASA-N 1 2 339.483 3.465 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001008458565 1336860140 /nfs/dbraw/zinc/86/01/40/1336860140.db2.gz NQMSLFXNXKJMQM-YZGWKJHDSA-N 1 2 342.458 3.194 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001008458565 1336860144 /nfs/dbraw/zinc/86/01/44/1336860144.db2.gz NQMSLFXNXKJMQM-YZGWKJHDSA-N 1 2 342.458 3.194 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2c[nH]c3c2cccc3C)C1 ZINC001008764718 1336923334 /nfs/dbraw/zinc/92/33/34/1336923334.db2.gz CJQJGBKFHPIFKK-INIZCTEOSA-N 1 2 345.874 3.352 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH]c3c2cccc3C)C1 ZINC001008764718 1336923335 /nfs/dbraw/zinc/92/33/35/1336923335.db2.gz CJQJGBKFHPIFKK-INIZCTEOSA-N 1 2 345.874 3.352 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3cnccc3c2)C1 ZINC001009111516 1336971027 /nfs/dbraw/zinc/97/10/27/1336971027.db2.gz SUNYKJBXEIUZOS-QGZVFWFLSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3cnccc3c2)C1 ZINC001009111516 1336971030 /nfs/dbraw/zinc/97/10/30/1336971030.db2.gz SUNYKJBXEIUZOS-QGZVFWFLSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(Cl)cc2)C1 ZINC001009383550 1337013457 /nfs/dbraw/zinc/01/34/57/1337013457.db2.gz PNRKGYWGBDWBLP-OAHLLOKOSA-N 1 2 327.255 3.216 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2ccc(Cl)cc2)C1 ZINC001009383550 1337013459 /nfs/dbraw/zinc/01/34/59/1337013459.db2.gz PNRKGYWGBDWBLP-OAHLLOKOSA-N 1 2 327.255 3.216 20 30 EGEDLO Cc1ccccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001009976193 1337129585 /nfs/dbraw/zinc/12/95/85/1337129585.db2.gz BRITWUZLZYMJRO-QGZVFWFLSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1ccccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001009976193 1337129587 /nfs/dbraw/zinc/12/95/87/1337129587.db2.gz BRITWUZLZYMJRO-QGZVFWFLSA-N 1 2 337.398 3.010 20 30 EGEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)c1cccs1 ZINC001009995136 1337136422 /nfs/dbraw/zinc/13/64/22/1337136422.db2.gz SKCUXCHYCSQHME-INIZCTEOSA-N 1 2 344.867 3.257 20 30 EGEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)c1cccs1 ZINC001009995136 1337136424 /nfs/dbraw/zinc/13/64/24/1337136424.db2.gz SKCUXCHYCSQHME-INIZCTEOSA-N 1 2 344.867 3.257 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)C=C3CCCCC3)C2)c1 ZINC001010356992 1337181786 /nfs/dbraw/zinc/18/17/86/1337181786.db2.gz WVSARPXCOSEHQB-SFHVURJKSA-N 1 2 341.430 3.278 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)C=C3CCCCC3)C2)c1 ZINC001010356992 1337181789 /nfs/dbraw/zinc/18/17/89/1337181789.db2.gz WVSARPXCOSEHQB-SFHVURJKSA-N 1 2 341.430 3.278 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC(CCN(C)c2cc[nH+]c(C)n2)CC1 ZINC001063972947 1352118050 /nfs/dbraw/zinc/11/80/50/1352118050.db2.gz DMNLDDVJEFTTAJ-HXUWFJFHSA-N 1 2 344.503 3.452 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC(CCN(C)c2cc[nH+]c(C)n2)CC1 ZINC001063972946 1352118138 /nfs/dbraw/zinc/11/81/38/1352118138.db2.gz DMNLDDVJEFTTAJ-FQEVSTJZSA-N 1 2 344.503 3.452 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001014912819 1337948488 /nfs/dbraw/zinc/94/84/88/1337948488.db2.gz ASGHWJGJNYBXEF-FXAWDEMLSA-N 1 2 337.467 3.385 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001014912819 1337948491 /nfs/dbraw/zinc/94/84/91/1337948491.db2.gz ASGHWJGJNYBXEF-FXAWDEMLSA-N 1 2 337.467 3.385 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C)c3cccnc23)C1 ZINC001015319485 1338099281 /nfs/dbraw/zinc/09/92/81/1338099281.db2.gz TYCNZPQMUKQYTK-AWEZNQCLSA-N 1 2 329.831 3.100 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)c3cccnc23)C1 ZINC001015319485 1338099288 /nfs/dbraw/zinc/09/92/88/1338099288.db2.gz TYCNZPQMUKQYTK-AWEZNQCLSA-N 1 2 329.831 3.100 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2sccc2-n2cccc2)C1 ZINC001015457731 1338146755 /nfs/dbraw/zinc/14/67/55/1338146755.db2.gz XAHXCALAZVTPDK-ZDUSSCGKSA-N 1 2 335.860 3.095 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2sccc2-n2cccc2)C1 ZINC001015457731 1338146762 /nfs/dbraw/zinc/14/67/62/1338146762.db2.gz XAHXCALAZVTPDK-ZDUSSCGKSA-N 1 2 335.860 3.095 20 30 EGEDLO CC1(C)CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001015555685 1338178789 /nfs/dbraw/zinc/17/87/89/1338178789.db2.gz DNRDGSSRKLSMHZ-QZTJIDSGSA-N 1 2 325.456 3.075 20 30 EGEDLO CC1(C)CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001015555685 1338178791 /nfs/dbraw/zinc/17/87/91/1338178791.db2.gz DNRDGSSRKLSMHZ-QZTJIDSGSA-N 1 2 325.456 3.075 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001015640731 1338224659 /nfs/dbraw/zinc/22/46/59/1338224659.db2.gz ZFTCZQIIKCJNOE-IBGZPJMESA-N 1 2 344.418 3.044 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001015640731 1338224662 /nfs/dbraw/zinc/22/46/62/1338224662.db2.gz ZFTCZQIIKCJNOE-IBGZPJMESA-N 1 2 344.418 3.044 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ncoc3C(C)C)C2)CC1 ZINC001015659628 1338238685 /nfs/dbraw/zinc/23/86/85/1338238685.db2.gz GAQIERKPJCOJEW-MRXNPFEDSA-N 1 2 331.460 3.235 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ncoc3C(C)C)C2)CC1 ZINC001015659628 1338238687 /nfs/dbraw/zinc/23/86/87/1338238687.db2.gz GAQIERKPJCOJEW-MRXNPFEDSA-N 1 2 331.460 3.235 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(C)sc3C)C2)CC1 ZINC001015659604 1338238708 /nfs/dbraw/zinc/23/87/08/1338238708.db2.gz FENWLIKMDYOEJV-MRXNPFEDSA-N 1 2 333.501 3.197 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3nc(C)sc3C)C2)CC1 ZINC001015659604 1338238712 /nfs/dbraw/zinc/23/87/12/1338238712.db2.gz FENWLIKMDYOEJV-MRXNPFEDSA-N 1 2 333.501 3.197 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC001015679637 1338255534 /nfs/dbraw/zinc/25/55/34/1338255534.db2.gz IQLDRVRMGSVKFD-YNEHKIRRSA-N 1 2 340.801 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC001015679637 1338255540 /nfs/dbraw/zinc/25/55/40/1338255540.db2.gz IQLDRVRMGSVKFD-YNEHKIRRSA-N 1 2 340.801 3.011 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@]2(c3ccccc3)CC2(C)C)C1 ZINC001015894861 1338350548 /nfs/dbraw/zinc/35/05/48/1338350548.db2.gz XVZYAXJXWACIFG-QFBILLFUSA-N 1 2 332.875 3.297 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@]2(c3ccccc3)CC2(C)C)C1 ZINC001015894861 1338350551 /nfs/dbraw/zinc/35/05/51/1338350551.db2.gz XVZYAXJXWACIFG-QFBILLFUSA-N 1 2 332.875 3.297 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(O[C@@H](C)CC)cc2)C1 ZINC001015953913 1338375748 /nfs/dbraw/zinc/37/57/48/1338375748.db2.gz JSEAHOCLXAVGSS-GOEBONIOSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(O[C@@H](C)CC)cc2)C1 ZINC001015953913 1338375752 /nfs/dbraw/zinc/37/57/52/1338375752.db2.gz JSEAHOCLXAVGSS-GOEBONIOSA-N 1 2 336.863 3.421 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001016068814 1338442265 /nfs/dbraw/zinc/44/22/65/1338442265.db2.gz WBQWVZNSAFSESK-SFHVURJKSA-N 1 2 339.826 3.216 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001016068814 1338442267 /nfs/dbraw/zinc/44/22/67/1338442267.db2.gz WBQWVZNSAFSESK-SFHVURJKSA-N 1 2 339.826 3.216 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001016176829 1338492325 /nfs/dbraw/zinc/49/23/25/1338492325.db2.gz FDWOHTYALWMQLA-GOSISDBHSA-N 1 2 345.402 3.309 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001016176829 1338492328 /nfs/dbraw/zinc/49/23/28/1338492328.db2.gz FDWOHTYALWMQLA-GOSISDBHSA-N 1 2 345.402 3.309 20 30 EGEDLO CC1=CC[C@@](C)(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC001016308514 1338541469 /nfs/dbraw/zinc/54/14/69/1338541469.db2.gz CZYQENPSYSZMMW-TZIWHRDSSA-N 1 2 337.467 3.385 20 30 EGEDLO CC1=CC[C@@](C)(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC001016308514 1338541470 /nfs/dbraw/zinc/54/14/70/1338541470.db2.gz CZYQENPSYSZMMW-TZIWHRDSSA-N 1 2 337.467 3.385 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC2C3CC4CC(C3)CC2C4)C1 ZINC001016309800 1338542233 /nfs/dbraw/zinc/54/22/33/1338542233.db2.gz LHUGMDMRYUFKDO-SVXFNXITSA-N 1 2 336.907 3.392 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC2C3CC4CC(C3)CC2C4)C1 ZINC001016309800 1338542236 /nfs/dbraw/zinc/54/22/36/1338542236.db2.gz LHUGMDMRYUFKDO-SVXFNXITSA-N 1 2 336.907 3.392 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC001017679627 1339389091 /nfs/dbraw/zinc/38/90/91/1339389091.db2.gz BTXAKQKLNLPPND-ONUIULTDSA-N 1 2 349.478 3.170 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC001017679627 1339389094 /nfs/dbraw/zinc/38/90/94/1339389094.db2.gz BTXAKQKLNLPPND-ONUIULTDSA-N 1 2 349.478 3.170 20 30 EGEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(F)ccc(F)c1Cl ZINC001017988272 1339475814 /nfs/dbraw/zinc/47/58/14/1339475814.db2.gz UYBYBAQAAHNDOK-PHIMTYICSA-N 1 2 326.774 3.093 20 30 EGEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(F)ccc(F)c1Cl ZINC001017988272 1339475815 /nfs/dbraw/zinc/47/58/15/1339475815.db2.gz UYBYBAQAAHNDOK-PHIMTYICSA-N 1 2 326.774 3.093 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(F)(F)F)cc1 ZINC001018207545 1339533390 /nfs/dbraw/zinc/53/33/90/1339533390.db2.gz HGTXEFCTHCKKBZ-IYBDPMFKSA-N 1 2 336.357 3.018 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(F)(F)F)cc1 ZINC001018207545 1339533392 /nfs/dbraw/zinc/53/33/92/1339533392.db2.gz HGTXEFCTHCKKBZ-IYBDPMFKSA-N 1 2 336.357 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001028067778 1340407254 /nfs/dbraw/zinc/40/72/54/1340407254.db2.gz BZYCBDYVKOEJEM-HNNXBMFYSA-N 1 2 331.847 3.423 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001028067778 1340407255 /nfs/dbraw/zinc/40/72/55/1340407255.db2.gz BZYCBDYVKOEJEM-HNNXBMFYSA-N 1 2 331.847 3.423 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001028081799 1340414435 /nfs/dbraw/zinc/41/44/35/1340414435.db2.gz ZMDNASYTLJNLKF-ZIAGYGMSSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001028081799 1340414438 /nfs/dbraw/zinc/41/44/38/1340414438.db2.gz ZMDNASYTLJNLKF-ZIAGYGMSSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1nccc2ccccc21 ZINC001028105514 1340429611 /nfs/dbraw/zinc/42/96/11/1340429611.db2.gz VUDRHWLIOHLMSX-OAHLLOKOSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1nccc2ccccc21 ZINC001028105514 1340429613 /nfs/dbraw/zinc/42/96/13/1340429613.db2.gz VUDRHWLIOHLMSX-OAHLLOKOSA-N 1 2 329.831 3.182 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001028125373 1340444588 /nfs/dbraw/zinc/44/45/88/1340444588.db2.gz PKEFWARPVVYFKL-NIKGAXFTSA-N 1 2 343.446 3.214 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001028125373 1340444591 /nfs/dbraw/zinc/44/45/91/1340444591.db2.gz PKEFWARPVVYFKL-NIKGAXFTSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc2c(cccc2OC)[nH]1 ZINC001028316080 1340560977 /nfs/dbraw/zinc/56/09/77/1340560977.db2.gz KIWHKSHQXAXHGO-CYBMUJFWSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(cccc2OC)[nH]1 ZINC001028316080 1340560978 /nfs/dbraw/zinc/56/09/78/1340560978.db2.gz KIWHKSHQXAXHGO-CYBMUJFWSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1Cc2c1cccc2Cl ZINC001028342945 1340582637 /nfs/dbraw/zinc/58/26/37/1340582637.db2.gz IXMJWBARFNTUMN-IUODEOHRSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1Cc2c1cccc2Cl ZINC001028342945 1340582639 /nfs/dbraw/zinc/58/26/39/1340582639.db2.gz IXMJWBARFNTUMN-IUODEOHRSA-N 1 2 339.266 3.313 20 30 EGEDLO CCC(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029215337 1340956430 /nfs/dbraw/zinc/95/64/30/1340956430.db2.gz IZILDBVNRRVZRI-GASCZTMLSA-N 1 2 331.485 3.231 20 30 EGEDLO CCC(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029215337 1340956431 /nfs/dbraw/zinc/95/64/31/1340956431.db2.gz IZILDBVNRRVZRI-GASCZTMLSA-N 1 2 331.485 3.231 20 30 EGEDLO C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2C#N)C=CCC1 ZINC001029428020 1340988172 /nfs/dbraw/zinc/98/81/72/1340988172.db2.gz ASBIXQHCGPFVSL-ZVDOUQERSA-N 1 2 335.451 3.090 20 30 EGEDLO C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2C#N)C=CCC1 ZINC001029428020 1340988173 /nfs/dbraw/zinc/98/81/73/1340988173.db2.gz ASBIXQHCGPFVSL-ZVDOUQERSA-N 1 2 335.451 3.090 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cncs2)CC1 ZINC001029457113 1340994684 /nfs/dbraw/zinc/99/46/84/1340994684.db2.gz FLPGSGLZBPOZMD-IYBDPMFKSA-N 1 2 331.485 3.065 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cncs2)CC1 ZINC001029457113 1340994685 /nfs/dbraw/zinc/99/46/85/1340994685.db2.gz FLPGSGLZBPOZMD-IYBDPMFKSA-N 1 2 331.485 3.065 20 30 EGEDLO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1)C(C)(F)F ZINC001029478032 1340998377 /nfs/dbraw/zinc/99/83/77/1340998377.db2.gz XDNLZAWKUWUGDR-RYQLBKOJSA-N 1 2 346.421 3.005 20 30 EGEDLO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1)C(C)(F)F ZINC001029478032 1340998378 /nfs/dbraw/zinc/99/83/78/1340998378.db2.gz XDNLZAWKUWUGDR-RYQLBKOJSA-N 1 2 346.421 3.005 20 30 EGEDLO CC[C@]1(C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029537794 1341008173 /nfs/dbraw/zinc/00/81/73/1341008173.db2.gz PCBOCCGZCAYANS-BDEJMISXSA-N 1 2 343.496 3.231 20 30 EGEDLO CC[C@]1(C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029537794 1341008174 /nfs/dbraw/zinc/00/81/74/1341008174.db2.gz PCBOCCGZCAYANS-BDEJMISXSA-N 1 2 343.496 3.231 20 30 EGEDLO C#Cc1ccc(C(=O)NC2C[NH+](Cc3cc4ccccc4s3)C2)cc1 ZINC001030776651 1341224304 /nfs/dbraw/zinc/22/43/04/1341224304.db2.gz SZJDUTOKUZEALL-UHFFFAOYSA-N 1 2 346.455 3.497 20 30 EGEDLO CCC(CC)C(=O)N1CC2(C1)CC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001072480065 1355305711 /nfs/dbraw/zinc/30/57/11/1355305711.db2.gz UFJNUSXIWHULRD-UHFFFAOYSA-N 1 2 343.446 3.168 20 30 EGEDLO CCC(CC)C(=O)N1CC2(C1)CC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001072480065 1355305713 /nfs/dbraw/zinc/30/57/13/1355305713.db2.gz UFJNUSXIWHULRD-UHFFFAOYSA-N 1 2 343.446 3.168 20 30 EGEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)C3CCCCCC3)C2)cc1F ZINC001031575402 1341371071 /nfs/dbraw/zinc/37/10/71/1341371071.db2.gz QJBYFFGHGYIJKA-UHFFFAOYSA-N 1 2 343.446 3.216 20 30 EGEDLO C[C@H]1C[C@@H]1c1ccc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)o1 ZINC001031664764 1341385072 /nfs/dbraw/zinc/38/50/72/1341385072.db2.gz PUBIOOBSQXSUTG-LPHOPBHVSA-N 1 2 348.446 3.116 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001031801612 1341403838 /nfs/dbraw/zinc/40/38/38/1341403838.db2.gz CWSWTOFWKFLNRW-QWHCGFSZSA-N 1 2 338.801 3.156 20 30 EGEDLO C[C@@H]1CCC[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001031939473 1341426954 /nfs/dbraw/zinc/42/69/54/1341426954.db2.gz UMKXTJWYVNNJNR-PBHICJAKSA-N 1 2 343.446 3.072 20 30 EGEDLO C[C@@H]1CC[C@H](C(=O)NCC2C[NH+](CC#Cc3cccc(Cl)c3)C2)C1 ZINC001032027240 1341441825 /nfs/dbraw/zinc/44/18/25/1341441825.db2.gz NZDSOSUPFFCEMK-QAPCUYQASA-N 1 2 344.886 3.176 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC3(C2)CC[N@H+](C/C(Cl)=C\Cl)C3)C1 ZINC001072964443 1355526626 /nfs/dbraw/zinc/52/66/26/1355526626.db2.gz XFOSJNJTGIYTLW-NTUHNPAUSA-N 1 2 329.271 3.196 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC3(C2)CC[N@@H+](C/C(Cl)=C\Cl)C3)C1 ZINC001072964443 1355526628 /nfs/dbraw/zinc/52/66/28/1355526628.db2.gz XFOSJNJTGIYTLW-NTUHNPAUSA-N 1 2 329.271 3.196 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)c1 ZINC001032534581 1341534310 /nfs/dbraw/zinc/53/43/10/1341534310.db2.gz VUTLDVGWWCGMMP-SSTJLMRISA-N 1 2 349.478 3.170 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)c1 ZINC001032534581 1341534311 /nfs/dbraw/zinc/53/43/11/1341534311.db2.gz VUTLDVGWWCGMMP-SSTJLMRISA-N 1 2 349.478 3.170 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2c(C)noc2CC)CC1 ZINC001032606172 1341555936 /nfs/dbraw/zinc/55/59/36/1341555936.db2.gz OJDIXGKMYPJBEZ-IRXDYDNUSA-N 1 2 343.471 3.077 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2c(C)noc2CC)CC1 ZINC001032606172 1341555939 /nfs/dbraw/zinc/55/59/39/1341555939.db2.gz OJDIXGKMYPJBEZ-IRXDYDNUSA-N 1 2 343.471 3.077 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2oc(CCC)nc2C)C1 ZINC001032617730 1341561308 /nfs/dbraw/zinc/56/13/08/1341561308.db2.gz PNSGAFWZTGRPAH-HOTGVXAUSA-N 1 2 343.471 3.077 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2oc(CCC)nc2C)C1 ZINC001032617730 1341561310 /nfs/dbraw/zinc/56/13/10/1341561310.db2.gz PNSGAFWZTGRPAH-HOTGVXAUSA-N 1 2 343.471 3.077 20 30 EGEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc2ccc(Cl)cc21 ZINC001032758368 1341604432 /nfs/dbraw/zinc/60/44/32/1341604432.db2.gz OUBGVENZOKGLQE-KBPBESRZSA-N 1 2 328.799 3.008 20 30 EGEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc2ccc(Cl)cc21 ZINC001032758368 1341604433 /nfs/dbraw/zinc/60/44/33/1341604433.db2.gz OUBGVENZOKGLQE-KBPBESRZSA-N 1 2 328.799 3.008 20 30 EGEDLO CN(C(=O)c1ccccc1F)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001032878612 1341647880 /nfs/dbraw/zinc/64/78/80/1341647880.db2.gz YSLMXECEFFMBHI-KRWDZBQOSA-N 1 2 337.398 3.044 20 30 EGEDLO CN(C(=O)c1ccccc1F)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001032878612 1341647882 /nfs/dbraw/zinc/64/78/82/1341647882.db2.gz YSLMXECEFFMBHI-KRWDZBQOSA-N 1 2 337.398 3.044 20 30 EGEDLO CN(C(=O)CC1CCC1)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001032973485 1341681764 /nfs/dbraw/zinc/68/17/64/1341681764.db2.gz OCVGRGNEVPGCTA-GOSISDBHSA-N 1 2 344.886 3.414 20 30 EGEDLO CN(C(=O)CC1CCC1)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001032973485 1341681765 /nfs/dbraw/zinc/68/17/65/1341681765.db2.gz OCVGRGNEVPGCTA-GOSISDBHSA-N 1 2 344.886 3.414 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccoc2C(F)(F)F)C1 ZINC001033110657 1341728273 /nfs/dbraw/zinc/72/82/73/1341728273.db2.gz NMSLPHMBNPERNF-JTQLQIEISA-N 1 2 336.741 3.197 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccoc2C(F)(F)F)C1 ZINC001033110657 1341728274 /nfs/dbraw/zinc/72/82/74/1341728274.db2.gz NMSLPHMBNPERNF-JTQLQIEISA-N 1 2 336.741 3.197 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2oc(C(F)F)cc2C)C1 ZINC001033165539 1341743254 /nfs/dbraw/zinc/74/32/54/1341743254.db2.gz MHQWBXWQLGPTJV-LLVKDONJSA-N 1 2 332.778 3.424 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2oc(C(F)F)cc2C)C1 ZINC001033165539 1341743255 /nfs/dbraw/zinc/74/32/55/1341743255.db2.gz MHQWBXWQLGPTJV-LLVKDONJSA-N 1 2 332.778 3.424 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C)nc2C(C)C)C1 ZINC001033312145 1341777406 /nfs/dbraw/zinc/77/74/06/1341777406.db2.gz MPELDUAJXMJHNT-HNNXBMFYSA-N 1 2 335.879 3.412 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C)nc2C(C)C)C1 ZINC001033312145 1341777407 /nfs/dbraw/zinc/77/74/07/1341777407.db2.gz MPELDUAJXMJHNT-HNNXBMFYSA-N 1 2 335.879 3.412 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc3cc(OC)ccc3[nH]2)C1 ZINC001033374279 1341801535 /nfs/dbraw/zinc/80/15/35/1341801535.db2.gz VJQUFIDPTLDUHB-AWEZNQCLSA-N 1 2 347.846 3.075 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc3cc(OC)ccc3[nH]2)C1 ZINC001033374279 1341801537 /nfs/dbraw/zinc/80/15/37/1341801537.db2.gz VJQUFIDPTLDUHB-AWEZNQCLSA-N 1 2 347.846 3.075 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc3ccccc3n2C)C1 ZINC001033374928 1341802431 /nfs/dbraw/zinc/80/24/31/1341802431.db2.gz GMDACJNJKROHSJ-HNNXBMFYSA-N 1 2 331.847 3.077 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc3ccccc3n2C)C1 ZINC001033374928 1341802432 /nfs/dbraw/zinc/80/24/32/1341802432.db2.gz GMDACJNJKROHSJ-HNNXBMFYSA-N 1 2 331.847 3.077 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccncc3Cl)C2)C1 ZINC001033394858 1341811418 /nfs/dbraw/zinc/81/14/18/1341811418.db2.gz AHWWJKUZGHSMHF-HNNXBMFYSA-N 1 2 333.863 3.124 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccncc3Cl)C2)C1 ZINC001033394858 1341811420 /nfs/dbraw/zinc/81/14/20/1341811420.db2.gz AHWWJKUZGHSMHF-HNNXBMFYSA-N 1 2 333.863 3.124 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@H+](Cc3cccc(F)c3F)C2)C1 ZINC001033398784 1341813179 /nfs/dbraw/zinc/81/31/79/1341813179.db2.gz KZMBMJVXJHMRPM-HNNXBMFYSA-N 1 2 334.410 3.354 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)C1 ZINC001033398784 1341813180 /nfs/dbraw/zinc/81/31/80/1341813180.db2.gz KZMBMJVXJHMRPM-HNNXBMFYSA-N 1 2 334.410 3.354 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001033497298 1341847422 /nfs/dbraw/zinc/84/74/22/1341847422.db2.gz VCZRGZABDAMXTI-BPQIPLTHSA-N 1 2 348.874 3.084 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001033497298 1341847424 /nfs/dbraw/zinc/84/74/24/1341847424.db2.gz VCZRGZABDAMXTI-BPQIPLTHSA-N 1 2 348.874 3.084 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2csc(C(C)C)n2)C1 ZINC001033515369 1341854444 /nfs/dbraw/zinc/85/44/44/1341854444.db2.gz VZTGJAXCKXDTSW-GFCCVEGCSA-N 1 2 327.881 3.165 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2csc(C(C)C)n2)C1 ZINC001033515369 1341854446 /nfs/dbraw/zinc/85/44/46/1341854446.db2.gz VZTGJAXCKXDTSW-GFCCVEGCSA-N 1 2 327.881 3.165 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2coc3ccc(F)cc23)C1 ZINC001033622845 1341907318 /nfs/dbraw/zinc/90/73/18/1341907318.db2.gz AUUWLBWEGXYVRJ-ZDUSSCGKSA-N 1 2 336.794 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2coc3ccc(F)cc23)C1 ZINC001033622845 1341907320 /nfs/dbraw/zinc/90/73/20/1341907320.db2.gz AUUWLBWEGXYVRJ-ZDUSSCGKSA-N 1 2 336.794 3.471 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3ncsc3c2)C1 ZINC001033636994 1341919520 /nfs/dbraw/zinc/91/95/20/1341919520.db2.gz IHMWRKQHNJESFC-CYBMUJFWSA-N 1 2 335.860 3.195 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3ncsc3c2)C1 ZINC001033636994 1341919523 /nfs/dbraw/zinc/91/95/23/1341919523.db2.gz IHMWRKQHNJESFC-CYBMUJFWSA-N 1 2 335.860 3.195 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccc3c(c2)CCCC3)C1 ZINC001033656418 1341932091 /nfs/dbraw/zinc/93/20/91/1341932091.db2.gz MOYOLSDBOYEFNN-LJQANCHMSA-N 1 2 346.902 3.393 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc3c(c2)CCCC3)C1 ZINC001033656418 1341932093 /nfs/dbraw/zinc/93/20/93/1341932093.db2.gz MOYOLSDBOYEFNN-LJQANCHMSA-N 1 2 346.902 3.393 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001033678868 1341946067 /nfs/dbraw/zinc/94/60/67/1341946067.db2.gz IRPIPAMSJYHTSS-JSGCOSHPSA-N 1 2 342.817 3.354 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001033678868 1341946069 /nfs/dbraw/zinc/94/60/69/1341946069.db2.gz IRPIPAMSJYHTSS-JSGCOSHPSA-N 1 2 342.817 3.354 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2coc(C(C)(C)C)n2)C1 ZINC001033835164 1342035328 /nfs/dbraw/zinc/03/53/28/1342035328.db2.gz HVUVHNDLVXTBLO-ZDUSSCGKSA-N 1 2 339.867 3.261 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2coc(C(C)(C)C)n2)C1 ZINC001033835164 1342035331 /nfs/dbraw/zinc/03/53/31/1342035331.db2.gz HVUVHNDLVXTBLO-ZDUSSCGKSA-N 1 2 339.867 3.261 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@H+](Cc3ncc(C)o3)C2)CC1 ZINC001033944116 1342105372 /nfs/dbraw/zinc/10/53/72/1342105372.db2.gz DLYFYXBWGCVIIW-KRWDZBQOSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](Cc3ncc(C)o3)C2)CC1 ZINC001033944116 1342105374 /nfs/dbraw/zinc/10/53/74/1342105374.db2.gz DLYFYXBWGCVIIW-KRWDZBQOSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001033977426 1342125697 /nfs/dbraw/zinc/12/56/97/1342125697.db2.gz YYUBYTHDDUMKCW-MOPGFXCFSA-N 1 2 346.902 3.467 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001033977426 1342125700 /nfs/dbraw/zinc/12/57/00/1342125700.db2.gz YYUBYTHDDUMKCW-MOPGFXCFSA-N 1 2 346.902 3.467 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cnn(C(C)C)c2C)C1 ZINC001034015253 1342152871 /nfs/dbraw/zinc/15/28/71/1342152871.db2.gz GZFXEPMIRRLLLD-OAHLLOKOSA-N 1 2 338.883 3.061 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnn(C(C)C)c2C)C1 ZINC001034015253 1342152873 /nfs/dbraw/zinc/15/28/73/1342152873.db2.gz GZFXEPMIRRLLLD-OAHLLOKOSA-N 1 2 338.883 3.061 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc3n(c2)CCCC3)C1 ZINC001034060527 1342199638 /nfs/dbraw/zinc/19/96/38/1342199638.db2.gz QWYOMXAVMJQJBW-QGZVFWFLSA-N 1 2 335.879 3.113 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc3n(c2)CCCC3)C1 ZINC001034060527 1342199641 /nfs/dbraw/zinc/19/96/41/1342199641.db2.gz QWYOMXAVMJQJBW-QGZVFWFLSA-N 1 2 335.879 3.113 20 30 EGEDLO CC1(C)C[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001034162443 1342286452 /nfs/dbraw/zinc/28/64/52/1342286452.db2.gz SMUQCPYUKSHGHS-ZWKOTPCHSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)C[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001034162443 1342286454 /nfs/dbraw/zinc/28/64/54/1342286454.db2.gz SMUQCPYUKSHGHS-ZWKOTPCHSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(Cl)cn2C)C1 ZINC001034296303 1342379653 /nfs/dbraw/zinc/37/96/53/1342379653.db2.gz OIUSDQPLTQNMRC-CYBMUJFWSA-N 1 2 330.259 3.015 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(Cl)cn2C)C1 ZINC001034296303 1342379657 /nfs/dbraw/zinc/37/96/57/1342379657.db2.gz OIUSDQPLTQNMRC-CYBMUJFWSA-N 1 2 330.259 3.015 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(-c3ccoc3)n[nH]2)C1 ZINC001034528042 1342584200 /nfs/dbraw/zinc/58/42/00/1342584200.db2.gz ITQWADBCIRCVRS-CQSZACIVSA-N 1 2 348.834 3.007 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(-c3ccoc3)n[nH]2)C1 ZINC001034528042 1342584203 /nfs/dbraw/zinc/58/42/03/1342584203.db2.gz ITQWADBCIRCVRS-CQSZACIVSA-N 1 2 348.834 3.007 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2csc(C3CC3)n2)C1 ZINC001034547095 1342609932 /nfs/dbraw/zinc/60/99/32/1342609932.db2.gz GHEZOTKWCRLYQZ-CYBMUJFWSA-N 1 2 339.892 3.357 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2csc(C3CC3)n2)C1 ZINC001034547095 1342609935 /nfs/dbraw/zinc/60/99/35/1342609935.db2.gz GHEZOTKWCRLYQZ-CYBMUJFWSA-N 1 2 339.892 3.357 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001034555947 1342616636 /nfs/dbraw/zinc/61/66/36/1342616636.db2.gz DEKNGZUIWDHBGX-HNNXBMFYSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001034555947 1342616639 /nfs/dbraw/zinc/61/66/39/1342616639.db2.gz DEKNGZUIWDHBGX-HNNXBMFYSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C(C)(C)C)no1 ZINC001035035853 1342889866 /nfs/dbraw/zinc/88/98/66/1342889866.db2.gz SCSSKVXJHPSRPJ-KUHUBIRLSA-N 1 2 348.491 3.050 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C(C)(C)C)s2)C1 ZINC001035611060 1343101191 /nfs/dbraw/zinc/10/11/91/1343101191.db2.gz QGRAYFSTMUYKKY-AWEZNQCLSA-N 1 2 336.501 3.052 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C(C)(C)C)s2)C1 ZINC001035611060 1343101196 /nfs/dbraw/zinc/10/11/96/1343101196.db2.gz QGRAYFSTMUYKKY-AWEZNQCLSA-N 1 2 336.501 3.052 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC2(C[NH+](Cc3cc(C)on3)C2)CC1 ZINC001035762956 1343176368 /nfs/dbraw/zinc/17/63/68/1343176368.db2.gz XOTXUMZTXJNXFZ-UHFFFAOYSA-N 1 2 331.460 3.010 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC2(C[NH+]([C@@H](C)c3ncccn3)C2)CC1 ZINC001035785722 1343195975 /nfs/dbraw/zinc/19/59/75/1343195975.db2.gz XCJBFBWAOSHPOT-QFBILLFUSA-N 1 2 342.487 3.064 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)CC[C@@H]1CCCCO1)CC2 ZINC001035807179 1343207887 /nfs/dbraw/zinc/20/78/87/1343207887.db2.gz HLYBFAPHPMYIKN-INIZCTEOSA-N 1 2 340.895 3.013 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)c1ccc(C)o1)CC2 ZINC001035814714 1343212855 /nfs/dbraw/zinc/21/28/55/1343212855.db2.gz SIMMEQLSMLCQLM-HNNXBMFYSA-N 1 2 336.863 3.368 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)Cc1cccc(F)c1)CC2 ZINC001035846256 1343227373 /nfs/dbraw/zinc/22/73/73/1343227373.db2.gz GQFJVJFKWJAJFC-UHFFFAOYSA-N 1 2 336.838 3.045 20 30 EGEDLO CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001038269286 1344350537 /nfs/dbraw/zinc/35/05/37/1344350537.db2.gz OKFPRRKOGHVTGA-SLFFLAALSA-N 1 2 338.495 3.301 20 30 EGEDLO CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001038269286 1344350541 /nfs/dbraw/zinc/35/05/41/1344350541.db2.gz OKFPRRKOGHVTGA-SLFFLAALSA-N 1 2 338.495 3.301 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(Cl)cc1 ZINC001038346649 1344391192 /nfs/dbraw/zinc/39/11/92/1344391192.db2.gz YYSHDSPNJUBXRA-QGZVFWFLSA-N 1 2 343.858 3.332 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001038346649 1344391195 /nfs/dbraw/zinc/39/11/95/1344391195.db2.gz YYSHDSPNJUBXRA-QGZVFWFLSA-N 1 2 343.858 3.332 20 30 EGEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1C[C@H]1c1ccccc1 ZINC001038927739 1344657017 /nfs/dbraw/zinc/65/70/17/1344657017.db2.gz AZFIUAVUPHWHLJ-BHIFYINESA-N 1 2 344.458 3.032 20 30 EGEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1C[C@H]1c1ccccc1 ZINC001038927739 1344657019 /nfs/dbraw/zinc/65/70/19/1344657019.db2.gz AZFIUAVUPHWHLJ-BHIFYINESA-N 1 2 344.458 3.032 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccccc2Cl)c1 ZINC001038940127 1344663452 /nfs/dbraw/zinc/66/34/52/1344663452.db2.gz NAPAIHKUTVIGJV-MRXNPFEDSA-N 1 2 339.826 3.216 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccccc2Cl)c1 ZINC001038940127 1344663458 /nfs/dbraw/zinc/66/34/58/1344663458.db2.gz NAPAIHKUTVIGJV-MRXNPFEDSA-N 1 2 339.826 3.216 20 30 EGEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1CC2CCC1CC2 ZINC001039048937 1344734055 /nfs/dbraw/zinc/73/40/55/1344734055.db2.gz LAKISQYBOYKSHJ-NSKBAKJYSA-N 1 2 336.479 3.055 20 30 EGEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1CC2CCC1CC2 ZINC001039048937 1344734058 /nfs/dbraw/zinc/73/40/58/1344734058.db2.gz LAKISQYBOYKSHJ-NSKBAKJYSA-N 1 2 336.479 3.055 20 30 EGEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)c1cccc(C2CC2)c1 ZINC001039053222 1344736213 /nfs/dbraw/zinc/73/62/13/1344736213.db2.gz GHQRVVFESBHTEV-JOCHJYFZSA-N 1 2 344.458 3.420 20 30 EGEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)c1cccc(C2CC2)c1 ZINC001039053222 1344736218 /nfs/dbraw/zinc/73/62/18/1344736218.db2.gz GHQRVVFESBHTEV-JOCHJYFZSA-N 1 2 344.458 3.420 20 30 EGEDLO CC(C)(C)C1CC(C(=O)NC[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)C1 ZINC001039077566 1344757647 /nfs/dbraw/zinc/75/76/47/1344757647.db2.gz IEFILRRSABPDQT-MHJFOBGBSA-N 1 2 338.495 3.301 20 30 EGEDLO CC(C)(C)C1CC(C(=O)NC[C@@H]2CC[N@H+]2CC#Cc2ccccc2)C1 ZINC001039077566 1344757649 /nfs/dbraw/zinc/75/76/49/1344757649.db2.gz IEFILRRSABPDQT-MHJFOBGBSA-N 1 2 338.495 3.301 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)c(F)c1 ZINC001039387230 1345039687 /nfs/dbraw/zinc/03/96/87/1345039687.db2.gz ZCPQYFWMPMFUJR-KGLIPLIRSA-N 1 2 340.801 3.396 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)c(F)c1 ZINC001039387230 1345039689 /nfs/dbraw/zinc/03/96/89/1345039689.db2.gz ZCPQYFWMPMFUJR-KGLIPLIRSA-N 1 2 340.801 3.396 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001039425818 1345062878 /nfs/dbraw/zinc/06/28/78/1345062878.db2.gz YOWSZBNOFTWTRI-RYRKJORJSA-N 1 2 348.849 3.283 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001039425818 1345062883 /nfs/dbraw/zinc/06/28/83/1345062883.db2.gz YOWSZBNOFTWTRI-RYRKJORJSA-N 1 2 348.849 3.283 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)cc1C ZINC001039427755 1345063629 /nfs/dbraw/zinc/06/36/29/1345063629.db2.gz IRKSKPAVWIYPHA-CVEARBPZSA-N 1 2 348.874 3.435 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)cc1C ZINC001039427755 1345063634 /nfs/dbraw/zinc/06/36/34/1345063634.db2.gz IRKSKPAVWIYPHA-CVEARBPZSA-N 1 2 348.874 3.435 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cnc(C)s1 ZINC001039820158 1345199266 /nfs/dbraw/zinc/19/92/66/1345199266.db2.gz BIGVDNZOZIFSBC-GASCZTMLSA-N 1 2 333.501 3.229 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cnc(C)s1 ZINC001039820158 1345199271 /nfs/dbraw/zinc/19/92/71/1345199271.db2.gz BIGVDNZOZIFSBC-GASCZTMLSA-N 1 2 333.501 3.229 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cccnc2)C1 ZINC001039906782 1345243999 /nfs/dbraw/zinc/24/39/99/1345243999.db2.gz WZEFQNIHKDZLKY-HDICACEKSA-N 1 2 325.456 3.003 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cccnc2)C1 ZINC001039906782 1345244006 /nfs/dbraw/zinc/24/40/06/1345244006.db2.gz WZEFQNIHKDZLKY-HDICACEKSA-N 1 2 325.456 3.003 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@](C)(CNc2cc[nH+]c(C)n2)C1 ZINC001040344674 1345444105 /nfs/dbraw/zinc/44/41/05/1345444105.db2.gz ZNGDEPTWIRXLBN-AUUYWEPGSA-N 1 2 330.476 3.284 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(Cl)o3)C[C@H]21 ZINC001041942639 1345904415 /nfs/dbraw/zinc/90/44/15/1345904415.db2.gz OMXHKAMEBRUANB-VXGBXAGGSA-N 1 2 329.227 3.222 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(Cl)o3)C[C@H]21 ZINC001041942639 1345904416 /nfs/dbraw/zinc/90/44/16/1345904416.db2.gz OMXHKAMEBRUANB-VXGBXAGGSA-N 1 2 329.227 3.222 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3cscn3)[C@@H]2C1 ZINC001042185489 1345972455 /nfs/dbraw/zinc/97/24/55/1345972455.db2.gz SZXXNMDCFQMMTO-GOEBONIOSA-N 1 2 333.501 3.168 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3cscn3)[C@@H]2C1 ZINC001042185489 1345972457 /nfs/dbraw/zinc/97/24/57/1345972457.db2.gz SZXXNMDCFQMMTO-GOEBONIOSA-N 1 2 333.501 3.168 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3nc(C)c(C)s3)C[C@@H]21 ZINC001042360631 1346054935 /nfs/dbraw/zinc/05/49/35/1346054935.db2.gz WBHUEOCGNBRHHT-KBPBESRZSA-N 1 2 339.892 3.049 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3nc(C)c(C)s3)C[C@@H]21 ZINC001042360631 1346054938 /nfs/dbraw/zinc/05/49/38/1346054938.db2.gz WBHUEOCGNBRHHT-KBPBESRZSA-N 1 2 339.892 3.049 20 30 EGEDLO C=CCn1cccc1C(=O)N(C)C1C[NH+](Cc2cc3ccccc3o2)C1 ZINC001042931187 1346126196 /nfs/dbraw/zinc/12/61/96/1346126196.db2.gz WUUIAEJVLTWJCD-UHFFFAOYSA-N 1 2 349.434 3.377 20 30 EGEDLO C=C1CCC(C(=O)N(C)C2C[NH+](Cc3cccc(OC)c3C)C2)CC1 ZINC001043759903 1346204647 /nfs/dbraw/zinc/20/46/47/1346204647.db2.gz OLJJHGIEWGXTBS-UHFFFAOYSA-N 1 2 342.483 3.393 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](Cc3cccc(OC)c3C)C2)C1 ZINC001043810969 1346212392 /nfs/dbraw/zinc/21/23/92/1346212392.db2.gz MIZDPWUVZHELAX-UHFFFAOYSA-N 1 2 328.456 3.003 20 30 EGEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)CC1CCC1 ZINC001079529034 1357289995 /nfs/dbraw/zinc/28/99/95/1357289995.db2.gz GPILXQUINVJOMJ-DNVCBOLYSA-N 1 2 344.886 3.318 20 30 EGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)CC1CCC1 ZINC001079529034 1357289999 /nfs/dbraw/zinc/28/99/99/1357289999.db2.gz GPILXQUINVJOMJ-DNVCBOLYSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C1CCC(C(=O)NC2(C)CC[NH+]([C@@H](C)c3nc(C)no3)CC2)CC1 ZINC001045545592 1346625936 /nfs/dbraw/zinc/62/59/36/1346625936.db2.gz GKMIMIQSPTUEDF-AWEZNQCLSA-N 1 2 346.475 3.156 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)C2CC3(CC3)C2)CC1 ZINC001045550590 1346628513 /nfs/dbraw/zinc/62/85/13/1346628513.db2.gz VHRMYSGCANFAFI-UHFFFAOYSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@H](C)C2)CC1 ZINC001045576764 1346634279 /nfs/dbraw/zinc/63/42/79/1346634279.db2.gz AUPOFPNYPXXMMX-JSGCOSHPSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)/C=C\C(C)(C)C)CC[C@H]1C ZINC001131911053 1375041539 /nfs/dbraw/zinc/04/15/39/1375041539.db2.gz CEIWDQANQAOZCC-GIBSZGAASA-N 1 2 343.309 3.466 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)/C=C\C(C)(C)C)CC[C@H]1C ZINC001131911053 1375041544 /nfs/dbraw/zinc/04/15/44/1375041544.db2.gz CEIWDQANQAOZCC-GIBSZGAASA-N 1 2 343.309 3.466 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(F)C(F)(F)F)C2 ZINC001045938469 1346774602 /nfs/dbraw/zinc/77/46/02/1346774602.db2.gz BUMIDHVFXACRSW-ZFWWWQNUSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C(F)C(F)(F)F)C2 ZINC001045938469 1346774606 /nfs/dbraw/zinc/77/46/06/1346774606.db2.gz BUMIDHVFXACRSW-ZFWWWQNUSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](F)C(F)(F)F)C2 ZINC001045938469 1346774608 /nfs/dbraw/zinc/77/46/08/1346774608.db2.gz BUMIDHVFXACRSW-ZFWWWQNUSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](F)C(F)(F)F)C2 ZINC001045938469 1346774610 /nfs/dbraw/zinc/77/46/10/1346774610.db2.gz BUMIDHVFXACRSW-ZFWWWQNUSA-N 1 2 336.373 3.168 20 30 EGEDLO C[C@]1(NC(=O)c2sccc2F)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046296969 1346926325 /nfs/dbraw/zinc/92/63/25/1346926325.db2.gz WAKYSDHXOGZFAR-SFHVURJKSA-N 1 2 343.427 3.153 20 30 EGEDLO C[C@]1(NC(=O)c2sccc2F)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046296969 1346926327 /nfs/dbraw/zinc/92/63/27/1346926327.db2.gz WAKYSDHXOGZFAR-SFHVURJKSA-N 1 2 343.427 3.153 20 30 EGEDLO Cc1csc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001046299932 1346927202 /nfs/dbraw/zinc/92/72/02/1346927202.db2.gz UNHNBHGWJZXHKX-IBGZPJMESA-N 1 2 339.464 3.323 20 30 EGEDLO Cc1csc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001046299932 1346927205 /nfs/dbraw/zinc/92/72/05/1346927205.db2.gz UNHNBHGWJZXHKX-IBGZPJMESA-N 1 2 339.464 3.323 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001046426939 1346973621 /nfs/dbraw/zinc/97/36/21/1346973621.db2.gz ZURSAXRKZXUTBE-HKUYNNGSSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001046426939 1346973623 /nfs/dbraw/zinc/97/36/23/1346973623.db2.gz ZURSAXRKZXUTBE-HKUYNNGSSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC001046518272 1347001807 /nfs/dbraw/zinc/00/18/07/1347001807.db2.gz LELZQAYCRWQXCF-ZDUSSCGKSA-N 1 2 336.650 3.268 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC001046518272 1347001810 /nfs/dbraw/zinc/00/18/10/1347001810.db2.gz LELZQAYCRWQXCF-ZDUSSCGKSA-N 1 2 336.650 3.268 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cccc(F)c2Cl)C1 ZINC001046655690 1347051645 /nfs/dbraw/zinc/05/16/45/1347051645.db2.gz JJANMCLXGZARFN-OAHLLOKOSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(F)c2Cl)C1 ZINC001046655690 1347051646 /nfs/dbraw/zinc/05/16/46/1347051646.db2.gz JJANMCLXGZARFN-OAHLLOKOSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(C)n(CC3CC3)c2C)C1 ZINC001046774568 1347095005 /nfs/dbraw/zinc/09/50/05/1347095005.db2.gz VAIPTFFPEOHNSB-IBGZPJMESA-N 1 2 349.906 3.462 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(C)n(CC3CC3)c2C)C1 ZINC001046774568 1347095007 /nfs/dbraw/zinc/09/50/07/1347095007.db2.gz VAIPTFFPEOHNSB-IBGZPJMESA-N 1 2 349.906 3.462 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2sccc2C)C1 ZINC001046910573 1347149320 /nfs/dbraw/zinc/14/93/20/1347149320.db2.gz NEXULGNJHPBQDS-LBPRGKRZSA-N 1 2 348.846 3.496 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2sccc2C)C1 ZINC001046910573 1347149321 /nfs/dbraw/zinc/14/93/21/1347149321.db2.gz NEXULGNJHPBQDS-LBPRGKRZSA-N 1 2 348.846 3.496 20 30 EGEDLO C/C=C(/C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001049405546 1347828245 /nfs/dbraw/zinc/82/82/45/1347828245.db2.gz HRCZKEWGSLZZCB-ZYCUSCKPSA-N 1 2 341.430 3.229 20 30 EGEDLO C/C=C(/C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001049405546 1347828247 /nfs/dbraw/zinc/82/82/47/1347828247.db2.gz HRCZKEWGSLZZCB-ZYCUSCKPSA-N 1 2 341.430 3.229 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1nnc(C)s1 ZINC001049692636 1347975305 /nfs/dbraw/zinc/97/53/05/1347975305.db2.gz IBSPBKQFXBKRDK-RVKKMQEKSA-N 1 2 348.516 3.014 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1nnc(C)s1 ZINC001049692636 1347975307 /nfs/dbraw/zinc/97/53/07/1347975307.db2.gz IBSPBKQFXBKRDK-RVKKMQEKSA-N 1 2 348.516 3.014 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1coc(CC2CC2)n1 ZINC001049825867 1348042305 /nfs/dbraw/zinc/04/23/05/1348042305.db2.gz GEWLQMMIKVNUCV-JKSUJKDBSA-N 1 2 349.862 3.059 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1coc(CC2CC2)n1 ZINC001049825867 1348042306 /nfs/dbraw/zinc/04/23/06/1348042306.db2.gz GEWLQMMIKVNUCV-JKSUJKDBSA-N 1 2 349.862 3.059 20 30 EGEDLO Cc1cc(N[C@H]2CCCCCN(C(=O)[C@@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001049858030 1348065031 /nfs/dbraw/zinc/06/50/31/1348065031.db2.gz MSRCVNFEBLNMSS-BBRMVZONSA-N 1 2 341.459 3.005 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cnc(CC)s1 ZINC001049926425 1348116954 /nfs/dbraw/zinc/11/69/54/1348116954.db2.gz PGFRSWYZODRYIF-STQMWFEESA-N 1 2 339.892 3.137 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cnc(CC)s1 ZINC001049926425 1348116955 /nfs/dbraw/zinc/11/69/55/1348116955.db2.gz PGFRSWYZODRYIF-STQMWFEESA-N 1 2 339.892 3.137 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(-c2cccs2)o1 ZINC001051226728 1348405604 /nfs/dbraw/zinc/40/56/04/1348405604.db2.gz ZTQKCVWWNTWDRN-CQSZACIVSA-N 1 2 346.452 3.015 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(-c2cccs2)o1 ZINC001051226728 1348405605 /nfs/dbraw/zinc/40/56/05/1348405605.db2.gz ZTQKCVWWNTWDRN-CQSZACIVSA-N 1 2 346.452 3.015 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+]([C@H](C)c3csnn3)CC2)CC1 ZINC001052681938 1348628765 /nfs/dbraw/zinc/62/87/65/1348628765.db2.gz KBLSBRLFHKIRLN-GDBMZVCRSA-N 1 2 348.516 3.316 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)c3csnn3)CC2)CC1 ZINC001052681938 1348628768 /nfs/dbraw/zinc/62/87/68/1348628768.db2.gz KBLSBRLFHKIRLN-GDBMZVCRSA-N 1 2 348.516 3.316 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+]([C@@H](C)c3noc(C)n3)CC2)CC1 ZINC001052681937 1348629123 /nfs/dbraw/zinc/62/91/23/1348629123.db2.gz KBJMXAXEHYLWMC-YOEHRIQHSA-N 1 2 346.475 3.156 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)c3noc(C)n3)CC2)CC1 ZINC001052681937 1348629125 /nfs/dbraw/zinc/62/91/25/1348629125.db2.gz KBJMXAXEHYLWMC-YOEHRIQHSA-N 1 2 346.475 3.156 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1CCC(C)(C)CC1)O2 ZINC001053702318 1349099927 /nfs/dbraw/zinc/09/99/27/1349099927.db2.gz UPXAFERGIHPBSK-KRWDZBQOSA-N 1 2 334.504 3.129 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CCCC(C)(C)C1)CO2 ZINC001053979634 1349127255 /nfs/dbraw/zinc/12/72/55/1349127255.db2.gz UXDPXCGNEGYNKS-SJORKVTESA-N 1 2 334.504 3.129 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc(CCC)cc1 ZINC001054052459 1349139966 /nfs/dbraw/zinc/13/99/66/1349139966.db2.gz YAKQHNXZLPERHV-JOCHJYFZSA-N 1 2 346.474 3.429 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc(CCC)cc1 ZINC001054052459 1349139970 /nfs/dbraw/zinc/13/99/70/1349139970.db2.gz YAKQHNXZLPERHV-JOCHJYFZSA-N 1 2 346.474 3.429 20 30 EGEDLO N#Cc1cccc(C[N@H+]2Cc3ccc(CNC(=O)C4CC4)cc3C2)c1 ZINC001054250881 1349246470 /nfs/dbraw/zinc/24/64/70/1349246470.db2.gz IMZLNHFIDGPJNP-UHFFFAOYSA-N 1 2 331.419 3.100 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2Cc3ccc(CNC(=O)C4CC4)cc3C2)c1 ZINC001054250881 1349246471 /nfs/dbraw/zinc/24/64/71/1349246471.db2.gz IMZLNHFIDGPJNP-UHFFFAOYSA-N 1 2 331.419 3.100 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc4occc4c3)cc2C1 ZINC001054265066 1349262729 /nfs/dbraw/zinc/26/27/29/1349262729.db2.gz CTUKACZNOWMIPW-UHFFFAOYSA-N 1 2 330.387 3.312 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc4occc4c3)cc2C1 ZINC001054265066 1349262732 /nfs/dbraw/zinc/26/27/32/1349262732.db2.gz CTUKACZNOWMIPW-UHFFFAOYSA-N 1 2 330.387 3.312 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCc4cc(F)ccc43)cc2C1 ZINC001054273947 1349274274 /nfs/dbraw/zinc/27/42/74/1349274274.db2.gz JTHKDEBFDRZIBQ-NRFANRHFSA-N 1 2 348.421 3.121 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCc4cc(F)ccc43)cc2C1 ZINC001054273947 1349274276 /nfs/dbraw/zinc/27/42/76/1349274276.db2.gz JTHKDEBFDRZIBQ-NRFANRHFSA-N 1 2 348.421 3.121 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCCC3(F)F)cc2C1 ZINC001054276360 1349276944 /nfs/dbraw/zinc/27/69/44/1349276944.db2.gz XPQYVAGMCZILIK-KRWDZBQOSA-N 1 2 332.394 3.077 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCCC3(F)F)cc2C1 ZINC001054276360 1349276948 /nfs/dbraw/zinc/27/69/48/1349276948.db2.gz XPQYVAGMCZILIK-KRWDZBQOSA-N 1 2 332.394 3.077 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc4occc4s3)cc2C1 ZINC001054280624 1349282543 /nfs/dbraw/zinc/28/25/43/1349282543.db2.gz OCQDGAUAPXAHGA-UHFFFAOYSA-N 1 2 336.416 3.373 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc4occc4s3)cc2C1 ZINC001054280624 1349282544 /nfs/dbraw/zinc/28/25/44/1349282544.db2.gz OCQDGAUAPXAHGA-UHFFFAOYSA-N 1 2 336.416 3.373 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cccc(F)c3Cl)cc2C1 ZINC001054283433 1349284050 /nfs/dbraw/zinc/28/40/50/1349284050.db2.gz ATCWOWYCWPGHMK-UHFFFAOYSA-N 1 2 342.801 3.358 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cccc(F)c3Cl)cc2C1 ZINC001054283433 1349284054 /nfs/dbraw/zinc/28/40/54/1349284054.db2.gz ATCWOWYCWPGHMK-UHFFFAOYSA-N 1 2 342.801 3.358 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cnc4ccccc4c3)cc2C1 ZINC001054284351 1349286132 /nfs/dbraw/zinc/28/61/32/1349286132.db2.gz OQKVGQHYGZDJRH-UHFFFAOYSA-N 1 2 341.414 3.114 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cnc4ccccc4c3)cc2C1 ZINC001054284351 1349286133 /nfs/dbraw/zinc/28/61/33/1349286133.db2.gz OQKVGQHYGZDJRH-UHFFFAOYSA-N 1 2 341.414 3.114 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc(Cl)cn3CC)cc2C1 ZINC001054291947 1349297479 /nfs/dbraw/zinc/29/74/79/1349297479.db2.gz LQZDFKRVMIRGCG-UHFFFAOYSA-N 1 2 341.842 3.040 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc(Cl)cn3CC)cc2C1 ZINC001054291947 1349297485 /nfs/dbraw/zinc/29/74/85/1349297485.db2.gz LQZDFKRVMIRGCG-UHFFFAOYSA-N 1 2 341.842 3.040 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCC[C@H](Nc3cc[nH+]c(C)n3)C2)CC1 ZINC001061129713 1351295324 /nfs/dbraw/zinc/29/53/24/1351295324.db2.gz DGUSQYZEFOHYSG-IRXDYDNUSA-N 1 2 328.460 3.371 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC(CN(C)c2cc[nH+]c(C)n2)CC1 ZINC001062225048 1351490589 /nfs/dbraw/zinc/49/05/89/1351490589.db2.gz FUHJAUJTCMQUBN-UHFFFAOYSA-N 1 2 330.476 3.062 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC(CN(C)c2cc[nH+]c(C)n2)CC1 ZINC001062228857 1351492392 /nfs/dbraw/zinc/49/23/92/1351492392.db2.gz PGTZZCCYLPKDOR-LJQANCHMSA-N 1 2 330.476 3.062 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ncc(C)o3)C[C@H]2C)CC1 ZINC001080391474 1357601257 /nfs/dbraw/zinc/60/12/57/1357601257.db2.gz IEPLEQXMZKURKI-FRFSOERESA-N 1 2 331.460 3.227 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3ncc(C)o3)C[C@H]2C)CC1 ZINC001080391474 1357601260 /nfs/dbraw/zinc/60/12/60/1357601260.db2.gz IEPLEQXMZKURKI-FRFSOERESA-N 1 2 331.460 3.227 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccn(C(C)C)n3)C[C@H]2C)CC1 ZINC001080392708 1357602779 /nfs/dbraw/zinc/60/27/79/1357602779.db2.gz SCUIQQYGPXABHJ-VQIMIIECSA-N 1 2 344.503 3.147 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccn(C(C)C)n3)C[C@H]2C)CC1 ZINC001080392708 1357602781 /nfs/dbraw/zinc/60/27/81/1357602781.db2.gz SCUIQQYGPXABHJ-VQIMIIECSA-N 1 2 344.503 3.147 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3coc(C4CC4)n3)C[C@H]2C)CC1 ZINC001080392458 1357602958 /nfs/dbraw/zinc/60/29/58/1357602958.db2.gz FSQPAINMKVNPGQ-RDTXWAMCSA-N 1 2 343.471 3.235 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3coc(C4CC4)n3)C[C@H]2C)CC1 ZINC001080392458 1357602961 /nfs/dbraw/zinc/60/29/61/1357602961.db2.gz FSQPAINMKVNPGQ-RDTXWAMCSA-N 1 2 343.471 3.235 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]c(C2CC2)n1 ZINC001062553346 1351591081 /nfs/dbraw/zinc/59/10/81/1351591081.db2.gz XWKQBGQDENYNBW-HOTGVXAUSA-N 1 2 340.471 3.054 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC([C@@H]2CCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001064426299 1352580524 /nfs/dbraw/zinc/58/05/24/1352580524.db2.gz NHSKQRZCSBPNKH-QGZVFWFLSA-N 1 2 342.487 3.062 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC001067181821 1353330678 /nfs/dbraw/zinc/33/06/78/1353330678.db2.gz ZMORUKZEIXXIJC-GUYCJALGSA-N 1 2 342.487 3.135 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H](Nc3cc(C)[nH+]c(C4CC4)n3)[C@@H](C)C2)C1 ZINC001067203208 1353337776 /nfs/dbraw/zinc/33/77/76/1353337776.db2.gz URNXRJXGCYRECC-BBRMVZONSA-N 1 2 340.471 3.278 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001067786177 1353521844 /nfs/dbraw/zinc/52/18/44/1353521844.db2.gz WINFWZPNGWYHJT-INIZCTEOSA-N 1 2 330.476 3.041 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@H](CNc3cc[nH+]c(C)n3)C[C@H]2C)CC1 ZINC001068369227 1353707099 /nfs/dbraw/zinc/70/70/99/1353707099.db2.gz GSZUJVGDMLESSU-ZBFHGGJFSA-N 1 2 328.460 3.180 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@@H](Nc3cc[nH+]c(C)n3)[C@@H]2C1 ZINC001069315407 1353998141 /nfs/dbraw/zinc/99/81/41/1353998141.db2.gz CIIKFLOZUGOQIT-GVDBMIGSSA-N 1 2 342.487 3.426 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1CCC(F)(F)C1 ZINC001085632734 1358648333 /nfs/dbraw/zinc/64/83/33/1358648333.db2.gz CLOIQGJFVIWUHP-RHSMWYFYSA-N 1 2 347.409 3.026 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1CCC(F)(F)C1 ZINC001085632734 1358648337 /nfs/dbraw/zinc/64/83/37/1358648337.db2.gz CLOIQGJFVIWUHP-RHSMWYFYSA-N 1 2 347.409 3.026 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3ccccc3C#N)C2)o1 ZINC001071332509 1354597884 /nfs/dbraw/zinc/59/78/84/1354597884.db2.gz RWCXGDKLWLQRBJ-RDTXWAMCSA-N 1 2 337.423 3.243 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3ccccc3C#N)C2)o1 ZINC001071332509 1354597885 /nfs/dbraw/zinc/59/78/85/1354597885.db2.gz RWCXGDKLWLQRBJ-RDTXWAMCSA-N 1 2 337.423 3.243 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C2=CCCC2)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC001071417535 1354682793 /nfs/dbraw/zinc/68/27/93/1354682793.db2.gz VXEOGTGNUYGTDH-IFXJQAMLSA-N 1 2 341.430 3.277 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C2=CCCC2)C[N@H+]1Cc1cc(F)ccc1C#N ZINC001071417535 1354682794 /nfs/dbraw/zinc/68/27/94/1354682794.db2.gz VXEOGTGNUYGTDH-IFXJQAMLSA-N 1 2 341.430 3.277 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc(C(F)F)nc2)CC[C@H]1C ZINC001071550284 1354761362 /nfs/dbraw/zinc/76/13/62/1354761362.db2.gz 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1355121022 /nfs/dbraw/zinc/12/10/22/1355121022.db2.gz ALIHVPFIYRSQBF-RDJZCZTQSA-N 1 2 345.874 3.363 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NCCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001094613917 1361879344 /nfs/dbraw/zinc/87/93/44/1361879344.db2.gz TZVUIWBFKUSCKA-UHFFFAOYSA-N 1 2 336.867 3.359 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C)c(Cl)c3)C[C@H]21 ZINC001074331728 1356172210 /nfs/dbraw/zinc/17/22/10/1356172210.db2.gz MAXRHXCSYRWMOT-MSOLQXFVSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C)c(Cl)c3)C[C@H]21 ZINC001074331728 1356172212 /nfs/dbraw/zinc/17/22/12/1356172212.db2.gz MAXRHXCSYRWMOT-MSOLQXFVSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4ccc(C)cc4[nH]3)[C@@H]2C1 ZINC001076099328 1356488971 /nfs/dbraw/zinc/48/89/71/1356488971.db2.gz WRCDLFGKPZYTHM-MAUKXSAKSA-N 1 2 343.858 3.375 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4ccc(C)cc4[nH]3)[C@@H]2C1 ZINC001076099328 1356488974 /nfs/dbraw/zinc/48/89/74/1356488974.db2.gz 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3.141 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4cc(F)ccc43)[C@@H]2C1 ZINC001084525538 1358230894 /nfs/dbraw/zinc/23/08/94/1358230894.db2.gz NLJVUTWODCETME-ZTFGCOKTSA-N 1 2 348.849 3.141 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3c(C)cc(F)cc3C)[C@@H]2C1 ZINC001084569901 1358240536 /nfs/dbraw/zinc/24/05/36/1358240536.db2.gz OARFQWUZIZUWPD-GDBMZVCRSA-N 1 2 336.838 3.341 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3c(C)cc(F)cc3C)[C@@H]2C1 ZINC001084569901 1358240540 /nfs/dbraw/zinc/24/05/40/1358240540.db2.gz OARFQWUZIZUWPD-GDBMZVCRSA-N 1 2 336.838 3.341 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)c3ncc(C)o3)C[C@H]21 ZINC001084574251 1358241905 /nfs/dbraw/zinc/24/19/05/1358241905.db2.gz XHBXVEXTYDCKMB-ARFHVFGLSA-N 1 2 331.460 3.179 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+]([C@@H](C)c3ncc(C)o3)C[C@H]21 ZINC001084574251 1358241907 /nfs/dbraw/zinc/24/19/07/1358241907.db2.gz XHBXVEXTYDCKMB-ARFHVFGLSA-N 1 2 331.460 3.179 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccncc3)C(C)C)[C@@H]2C1 ZINC001084609083 1358254754 /nfs/dbraw/zinc/25/47/54/1358254754.db2.gz VFALHHZHMCJSAZ-KURKYZTESA-N 1 2 347.890 3.106 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccncc3)C(C)C)[C@@H]2C1 ZINC001084609083 1358254756 /nfs/dbraw/zinc/25/47/56/1358254756.db2.gz VFALHHZHMCJSAZ-KURKYZTESA-N 1 2 347.890 3.106 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)c(C)s3)C[C@H]21 ZINC001084630621 1358261336 /nfs/dbraw/zinc/26/13/36/1358261336.db2.gz NFFBMVHUWOJXQO-MDZRGWNJSA-N 1 2 347.528 3.395 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)c(C)s3)C[C@H]21 ZINC001084630621 1358261341 /nfs/dbraw/zinc/26/13/41/1358261341.db2.gz NFFBMVHUWOJXQO-MDZRGWNJSA-N 1 2 347.528 3.395 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3cccs3)[C@@H]2C1 ZINC001084694719 1358283453 /nfs/dbraw/zinc/28/34/53/1358283453.db2.gz QEIPSZNBNKFVQY-JGGQBBKZSA-N 1 2 338.904 3.212 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3cccs3)[C@@H]2C1 ZINC001084694719 1358283458 /nfs/dbraw/zinc/28/34/58/1358283458.db2.gz QEIPSZNBNKFVQY-JGGQBBKZSA-N 1 2 338.904 3.212 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Oc3ccc(C)cc3)[C@@H]2C1 ZINC001084816068 1358318973 /nfs/dbraw/zinc/31/89/73/1358318973.db2.gz MLBFKUCKWWAVBM-JFIYKMOQSA-N 1 2 348.874 3.048 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Oc3ccc(C)cc3)[C@@H]2C1 ZINC001084816068 1358318977 /nfs/dbraw/zinc/31/89/77/1358318977.db2.gz MLBFKUCKWWAVBM-JFIYKMOQSA-N 1 2 348.874 3.048 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1)C(=O)C1CCCC1 ZINC001085453714 1358506655 /nfs/dbraw/zinc/50/66/55/1358506655.db2.gz UNQZLSMGYYTDEE-LJQANCHMSA-N 1 2 344.886 3.414 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1)C(=O)C1CCCC1 ZINC001085453714 1358506660 /nfs/dbraw/zinc/50/66/60/1358506660.db2.gz UNQZLSMGYYTDEE-LJQANCHMSA-N 1 2 344.886 3.414 20 30 EGEDLO 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1387354872 /nfs/dbraw/zinc/35/48/72/1387354872.db2.gz PJWLSWWZHRQSGJ-HNNXBMFYSA-N 1 2 343.496 3.137 20 30 EGEDLO CN(C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N)C1CC(F)(F)C1 ZINC001183830418 1387355518 /nfs/dbraw/zinc/35/55/18/1387355518.db2.gz YFAOGOOREDOMTR-QGZVFWFLSA-N 1 2 347.409 3.169 20 30 EGEDLO CN(C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N)C1CC(F)(F)C1 ZINC001183830418 1387355523 /nfs/dbraw/zinc/35/55/23/1387355523.db2.gz YFAOGOOREDOMTR-QGZVFWFLSA-N 1 2 347.409 3.169 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1CCC(C)(C)C1 ZINC001085803456 1358779058 /nfs/dbraw/zinc/77/90/58/1358779058.db2.gz OYBRXSSHKRLUMX-HUUCEWRRSA-N 1 2 345.512 3.479 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1CCC(C)(C)C1 ZINC001085803456 1358779060 /nfs/dbraw/zinc/77/90/60/1358779060.db2.gz OYBRXSSHKRLUMX-HUUCEWRRSA-N 1 2 345.512 3.479 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1CC12CCCC2 ZINC001085909490 1358869768 /nfs/dbraw/zinc/86/97/68/1358869768.db2.gz 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ZINC001734061789 1437856034 /nfs/dbraw/zinc/85/60/34/1437856034.db2.gz BEKITTWSJVIECH-GFCCVEGCSA-N 1 2 326.893 3.430 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccoc2)C1 ZINC001086575072 1359152974 /nfs/dbraw/zinc/15/29/74/1359152974.db2.gz XDFKYYDFQIXFSI-DLBZAZTESA-N 1 2 330.815 3.230 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccoc2)C1 ZINC001086575072 1359152976 /nfs/dbraw/zinc/15/29/76/1359152976.db2.gz XDFKYYDFQIXFSI-DLBZAZTESA-N 1 2 330.815 3.230 20 30 EGEDLO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2sccc2Cl)C1 ZINC001086589098 1359157471 /nfs/dbraw/zinc/15/74/71/1359157471.db2.gz HOVWTOOAUBVKFY-GOEBONIOSA-N 1 2 344.867 3.233 20 30 EGEDLO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2sccc2Cl)C1 ZINC001086589098 1359157473 /nfs/dbraw/zinc/15/74/73/1359157473.db2.gz HOVWTOOAUBVKFY-GOEBONIOSA-N 1 2 344.867 3.233 20 30 EGEDLO COCCOc1ccc(C(=O)/C=C\c2ccc[nH+]c2N(C)C)cc1 ZINC001323544151 1387384893 /nfs/dbraw/zinc/38/48/93/1387384893.db2.gz DVQXIPPWOBZMHP-FLIBITNWSA-N 1 2 326.396 3.069 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)CC)C1 ZINC001087471452 1359481311 /nfs/dbraw/zinc/48/13/11/1359481311.db2.gz FSFOEDBLQHPXTI-IRXDYDNUSA-N 1 2 336.863 3.132 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)CC)C1 ZINC001087471452 1359481315 /nfs/dbraw/zinc/48/13/15/1359481315.db2.gz FSFOEDBLQHPXTI-IRXDYDNUSA-N 1 2 336.863 3.132 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2CCC3)[C@H]1CC ZINC001087663527 1359578524 /nfs/dbraw/zinc/57/85/24/1359578524.db2.gz QEHNCPQQXFGUJG-HLPPOEQASA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2CCC3)[C@H]1CC ZINC001087663527 1359578532 /nfs/dbraw/zinc/57/85/32/1359578532.db2.gz QEHNCPQQXFGUJG-HLPPOEQASA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(F)cccc2F)[C@H]1CC ZINC001087808337 1359657610 /nfs/dbraw/zinc/65/76/10/1359657610.db2.gz KMAZMNWTGNHYSY-UONOGXRCSA-N 1 2 328.790 3.300 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(F)cccc2F)[C@H]1CC ZINC001087808337 1359657615 /nfs/dbraw/zinc/65/76/15/1359657615.db2.gz KMAZMNWTGNHYSY-UONOGXRCSA-N 1 2 328.790 3.300 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCCCC[C@H]([NH2+]Cc2noc(CC)n2)C1 ZINC001088359031 1359842477 /nfs/dbraw/zinc/84/24/77/1359842477.db2.gz PKUDZFRBTLYIFS-HNNXBMFYSA-N 1 2 348.491 3.095 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCCCC[C@H]([NH2+][C@@H](C)c3noc(C)n3)C2)C1 ZINC001088379043 1359862595 /nfs/dbraw/zinc/86/25/95/1359862595.db2.gz YMDFVNYWNRYTHS-HOCLYGCPSA-N 1 2 346.475 3.156 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2sccc2F)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088554407 1359970570 /nfs/dbraw/zinc/97/05/70/1359970570.db2.gz JEXDRPRCQCFANX-YGRLFVJLSA-N 1 2 349.456 3.213 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2sccc2F)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088554407 1359970572 /nfs/dbraw/zinc/97/05/72/1359970572.db2.gz JEXDRPRCQCFANX-YGRLFVJLSA-N 1 2 349.456 3.213 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C2(C)CC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088583569 1359979782 /nfs/dbraw/zinc/97/97/82/1359979782.db2.gz APRWCSCIYKFREV-PBHICJAKSA-N 1 2 330.859 3.071 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C2(C)CC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088583569 1359979787 /nfs/dbraw/zinc/97/97/87/1359979787.db2.gz APRWCSCIYKFREV-PBHICJAKSA-N 1 2 330.859 3.071 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cccc3)cc2)[C@H]1C ZINC001088714020 1360018244 /nfs/dbraw/zinc/01/82/44/1360018244.db2.gz XANOYUVEPUMQAD-QAPCUYQASA-N 1 2 343.858 3.422 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cccc3)cc2)[C@H]1C ZINC001088714020 1360018246 /nfs/dbraw/zinc/01/82/46/1360018246.db2.gz XANOYUVEPUMQAD-QAPCUYQASA-N 1 2 343.858 3.422 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn(C(C)C)c2Cl)[C@H]1C ZINC001088775168 1360039190 /nfs/dbraw/zinc/03/91/90/1360039190.db2.gz GFQYJRURMZRFMW-YPMHNXCESA-N 1 2 345.274 3.063 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C(C)C)c2Cl)[C@H]1C ZINC001088775168 1360039195 /nfs/dbraw/zinc/03/91/95/1360039195.db2.gz GFQYJRURMZRFMW-YPMHNXCESA-N 1 2 345.274 3.063 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(CC)o3)[C@@H]2C)CC1 ZINC001088835285 1360070784 /nfs/dbraw/zinc/07/07/84/1360070784.db2.gz NVQBZCOBSADRKQ-PBHICJAKSA-N 1 2 331.460 3.062 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ncc(CC)o3)[C@@H]2C)CC1 ZINC001088835285 1360070786 /nfs/dbraw/zinc/07/07/86/1360070786.db2.gz NVQBZCOBSADRKQ-PBHICJAKSA-N 1 2 331.460 3.062 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3cccc(F)c3F)[C@@H]2C)C1 ZINC001088840661 1360074950 /nfs/dbraw/zinc/07/49/50/1360074950.db2.gz QVMBCGCWIOVDNP-CJNGLKHVSA-N 1 2 334.410 3.400 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(F)c3F)[C@@H]2C)C1 ZINC001088840661 1360074953 /nfs/dbraw/zinc/07/49/53/1360074953.db2.gz QVMBCGCWIOVDNP-CJNGLKHVSA-N 1 2 334.410 3.400 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CC[C@H](C)N(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001089149990 1360205372 /nfs/dbraw/zinc/20/53/72/1360205372.db2.gz NHGMZWINXLAQJW-RDJZCZTQSA-N 1 2 342.487 3.492 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H](C)[C@@H](CNc3cc[nH+]c(C)n3)C2)CCC1 ZINC001089188676 1360238774 /nfs/dbraw/zinc/23/87/74/1360238774.db2.gz XXNRTBYFGQRGIF-RDJZCZTQSA-N 1 2 342.487 3.428 20 30 EGEDLO Cc1nc(N[C@@H](C)C[C@@H](C)NC(=O)C#CC(C)C)c2c([nH+]1)CCCC2 ZINC001089309651 1360329182 /nfs/dbraw/zinc/32/91/82/1360329182.db2.gz RBXWJNPHGRDHGU-CABCVRRESA-N 1 2 342.487 3.018 20 30 EGEDLO C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCc2cn[nH]c21 ZINC001089641629 1360554557 /nfs/dbraw/zinc/55/45/57/1360554557.db2.gz PIXWROWMMNOUET-IRXDYDNUSA-N 1 2 344.503 3.013 20 30 EGEDLO C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCc2cn[nH]c21 ZINC001089641629 1360554560 /nfs/dbraw/zinc/55/45/60/1360554560.db2.gz PIXWROWMMNOUET-IRXDYDNUSA-N 1 2 344.503 3.013 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ocnc1CC ZINC001089691610 1360597560 /nfs/dbraw/zinc/59/75/60/1360597560.db2.gz TVZYCQNUGGSWAU-ZDUSSCGKSA-N 1 2 339.867 3.210 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ocnc1CC ZINC001089691610 1360597562 /nfs/dbraw/zinc/59/75/62/1360597562.db2.gz TVZYCQNUGGSWAU-ZDUSSCGKSA-N 1 2 339.867 3.210 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H](C)N(CC)c1nc(C)[nH+]c2c1CCCC2 ZINC001089697648 1360601586 /nfs/dbraw/zinc/60/15/86/1360601586.db2.gz VJCHWXYOAWMULV-OAHLLOKOSA-N 1 2 344.503 3.351 20 30 EGEDLO C=CCC[NH+]1CC(NC(=O)C2CC2)(c2ccc(Br)cc2)C1 ZINC001090888127 1360946356 /nfs/dbraw/zinc/94/63/56/1360946356.db2.gz FLSBSWNIKABHRY-UHFFFAOYSA-N 1 2 349.272 3.062 20 30 EGEDLO C#CCCCCC(=O)N(C)CCCCCCNc1cc[nH+]c(C)n1 ZINC001091735414 1361199607 /nfs/dbraw/zinc/19/96/07/1361199607.db2.gz BLMGLPZANFBPFJ-UHFFFAOYSA-N 1 2 330.476 3.409 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001092431043 1361380496 /nfs/dbraw/zinc/38/04/96/1361380496.db2.gz LEPKKKNVYVJKHV-JEBQAFNWSA-N 1 2 344.503 3.193 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1C[C@@H](C)[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001092626432 1361425711 /nfs/dbraw/zinc/42/57/11/1361425711.db2.gz SLODPUNOCFIXBH-DJIMGWMZSA-N 1 2 330.476 3.284 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(C2CC2)n1 ZINC001092883612 1361477701 /nfs/dbraw/zinc/47/77/01/1361477701.db2.gz NSVUIVYQVIKBBA-IKGGRYGDSA-N 1 2 340.471 3.245 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001092904326 1361482919 /nfs/dbraw/zinc/48/29/19/1361482919.db2.gz DBRZBGYPKBSTAR-SIXLDLHFSA-N 1 2 342.487 3.176 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001093181904 1361551721 /nfs/dbraw/zinc/55/17/21/1361551721.db2.gz VCWCADNAORZILZ-UHFFFAOYSA-N 1 2 340.471 3.079 20 30 EGEDLO Cc1nc(NC2(CNC(=O)C#CC(C)(C)C)CCCCC2)cc[nH+]1 ZINC001093393215 1361601131 /nfs/dbraw/zinc/60/11/31/1361601131.db2.gz MSQJCGFPPSEURN-UHFFFAOYSA-N 1 2 328.460 3.066 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@]3(C)CCC[C@@H]3CC)CC2)C1 ZINC001093547051 1361639504 /nfs/dbraw/zinc/63/95/04/1361639504.db2.gz ZGMPWRZUBRFBKN-JXFKEZNVSA-N 1 2 334.504 3.081 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H](C)CC3CCCCC3)CC2)C1 ZINC001093579551 1361647975 /nfs/dbraw/zinc/64/79/75/1361647975.db2.gz WWUYWHBFSBQNIL-KRWDZBQOSA-N 1 2 348.531 3.471 20 30 EGEDLO N#Cc1c(Cl)cc(C(=O)Nc2cccc3[nH+]ccn32)nc1Cl ZINC001184789768 1387539732 /nfs/dbraw/zinc/53/97/32/1387539732.db2.gz WBPGSFUMJPRWKY-UHFFFAOYSA-N 1 2 332.150 3.160 20 30 EGEDLO C=C(C)CCC(=O)N1CCCN(c2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001095195222 1362049286 /nfs/dbraw/zinc/04/92/86/1362049286.db2.gz QOPNFDYUNAOPON-UHFFFAOYSA-N 1 2 342.487 3.059 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095310719 1362094519 /nfs/dbraw/zinc/09/45/19/1362094519.db2.gz DLVYBYKZFHBCDL-INIZCTEOSA-N 1 2 328.460 3.422 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3nc(C)oc3c1)C2 ZINC001095570385 1362172248 /nfs/dbraw/zinc/17/22/48/1362172248.db2.gz GDANTEDBOOEOHZ-KBMXLJTQSA-N 1 2 345.830 3.224 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3nc(C)oc3c1)C2 ZINC001095570385 1362172250 /nfs/dbraw/zinc/17/22/50/1362172250.db2.gz GDANTEDBOOEOHZ-KBMXLJTQSA-N 1 2 345.830 3.224 20 30 EGEDLO C#CCC1(C(=O)NCCCN(CC)c2cc[nH+]c(C)n2)CCCCC1 ZINC001095888736 1362272393 /nfs/dbraw/zinc/27/23/93/1362272393.db2.gz LANIJYXWWSMHGH-UHFFFAOYSA-N 1 2 342.487 3.091 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)[C@H](C)CO3)C2 ZINC001095896679 1362277073 /nfs/dbraw/zinc/27/70/73/1362277073.db2.gz ZQQWBMFQOSPPMS-OFIKQIQMSA-N 1 2 346.858 3.270 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)[C@H](C)CO3)C2 ZINC001095896679 1362277078 /nfs/dbraw/zinc/27/70/78/1362277078.db2.gz ZQQWBMFQOSPPMS-OFIKQIQMSA-N 1 2 346.858 3.270 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCCC1(F)F)C2 ZINC001095919995 1362287844 /nfs/dbraw/zinc/28/78/44/1362287844.db2.gz BAHSFVGCJASUQE-MQYQWHSLSA-N 1 2 332.822 3.286 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCCC1(F)F)C2 ZINC001095919995 1362287847 /nfs/dbraw/zinc/28/78/47/1362287847.db2.gz BAHSFVGCJASUQE-MQYQWHSLSA-N 1 2 332.822 3.286 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCCN(CC)c1nc(C)[nH+]c(C)c1C ZINC001095949589 1362301558 /nfs/dbraw/zinc/30/15/58/1362301558.db2.gz BMGSIFQSDXSTEI-UHFFFAOYSA-N 1 2 332.492 3.337 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]13C[C@H]1CCCC3)C2 ZINC001095984234 1362322950 /nfs/dbraw/zinc/32/29/50/1362322950.db2.gz FZRKQSVBMDORLE-JXDTVZCFSA-N 1 2 349.478 3.360 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]13C[C@H]1CCCC3)C2 ZINC001095984234 1362322952 /nfs/dbraw/zinc/32/29/52/1362322952.db2.gz FZRKQSVBMDORLE-JXDTVZCFSA-N 1 2 349.478 3.360 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001096220012 1362437750 /nfs/dbraw/zinc/43/77/50/1362437750.db2.gz BZGKCWDHHAGBTF-CXAGYDPISA-N 1 2 330.476 3.089 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096221312 1362438725 /nfs/dbraw/zinc/43/87/25/1362438725.db2.gz NHJPJDHESVHKNL-YOEHRIQHSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CC23CCN(c2cc[nH+]c(C)n2)CC3)CC1 ZINC001096533218 1362560701 /nfs/dbraw/zinc/56/07/01/1362560701.db2.gz HBGOQUVORGBHOW-INIZCTEOSA-N 1 2 340.471 3.007 20 30 EGEDLO C=CCC1(C(=O)NC[C@H](Nc2cc[nH+]c(C)n2)C2CC2)CCCC1 ZINC001096688391 1362639287 /nfs/dbraw/zinc/63/92/87/1362639287.db2.gz MXASQADVSAGTJP-INIZCTEOSA-N 1 2 328.460 3.228 20 30 EGEDLO CC(C)(F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001096723803 1362662871 /nfs/dbraw/zinc/66/28/71/1362662871.db2.gz QDYYZPHNOJSROC-ZACQAIPSSA-N 1 2 348.849 3.161 20 30 EGEDLO CC(C)(F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001096723803 1362662873 /nfs/dbraw/zinc/66/28/73/1362662873.db2.gz QDYYZPHNOJSROC-ZACQAIPSSA-N 1 2 348.849 3.161 20 30 EGEDLO CC#CCCCC(=O)NC[C@H](Nc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001096777399 1362702295 /nfs/dbraw/zinc/70/22/95/1362702295.db2.gz RBCGUPJQZGCJIT-KRWDZBQOSA-N 1 2 342.487 3.409 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H](Nc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001096784130 1362707044 /nfs/dbraw/zinc/70/70/44/1362707044.db2.gz VNULHQOVENFGSQ-OAHLLOKOSA-N 1 2 328.460 3.181 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001097244797 1362900065 /nfs/dbraw/zinc/90/00/65/1362900065.db2.gz QFFGFTKQWSRDAC-OAGGEKHMSA-N 1 2 342.487 3.325 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097245418 1362900151 /nfs/dbraw/zinc/90/01/51/1362900151.db2.gz GOCSYVGZNNNRKA-CALCHBBNSA-N 1 2 340.471 3.305 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CCCCN1c1nc(C)[nH+]c(C)c1C ZINC001097456294 1363001414 /nfs/dbraw/zinc/00/14/14/1363001414.db2.gz SDMDUBJCTBOODB-QGZVFWFLSA-N 1 2 344.503 3.479 20 30 EGEDLO C=CCCC1(C(=O)N2CCCC[C@H]2CNc2cc[nH+]c(C)n2)CC1 ZINC001097500691 1363024054 /nfs/dbraw/zinc/02/40/54/1363024054.db2.gz WIKZLOZCBWCPBU-INIZCTEOSA-N 1 2 328.460 3.324 20 30 EGEDLO C=CCCC(=O)NC1CCC(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001097612835 1363074843 /nfs/dbraw/zinc/07/48/43/1363074843.db2.gz KQALZLPZZNBLDG-UHFFFAOYSA-N 1 2 342.487 3.469 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001097671975 1363096926 /nfs/dbraw/zinc/09/69/26/1363096926.db2.gz CECCTXQQXPTAHW-HCXYKTFWSA-N 1 2 337.467 3.216 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001097671975 1363096928 /nfs/dbraw/zinc/09/69/28/1363096928.db2.gz CECCTXQQXPTAHW-HCXYKTFWSA-N 1 2 337.467 3.216 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(Cl)n2)C1 ZINC001097805107 1363125440 /nfs/dbraw/zinc/12/54/40/1363125440.db2.gz IBFRQOBAKDSMTN-OAGGEKHMSA-N 1 2 345.874 3.313 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(Cl)n2)C1 ZINC001097805107 1363125443 /nfs/dbraw/zinc/12/54/43/1363125443.db2.gz IBFRQOBAKDSMTN-OAGGEKHMSA-N 1 2 345.874 3.313 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cccc(OCC)c1)C2 ZINC001098471032 1363335443 /nfs/dbraw/zinc/33/54/43/1363335443.db2.gz ZNUORTSVUVNFLL-NXHRZFHOSA-N 1 2 348.874 3.102 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cccc(OCC)c1)C2 ZINC001098471032 1363335447 /nfs/dbraw/zinc/33/54/47/1363335447.db2.gz ZNUORTSVUVNFLL-NXHRZFHOSA-N 1 2 348.874 3.102 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1cc(F)ccc1F ZINC001098976686 1363551640 /nfs/dbraw/zinc/55/16/40/1363551640.db2.gz XCOWQBVQLLAHGV-XJKSGUPXSA-N 1 2 349.425 3.231 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1cc(F)ccc1F ZINC001098976686 1363551644 /nfs/dbraw/zinc/55/16/44/1363551644.db2.gz XCOWQBVQLLAHGV-XJKSGUPXSA-N 1 2 349.425 3.231 20 30 EGEDLO CC(C)(C)C#CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nccs1 ZINC001099069310 1363605861 /nfs/dbraw/zinc/60/58/61/1363605861.db2.gz FKTAQJVERLCIMT-HNNXBMFYSA-N 1 2 347.528 3.299 20 30 EGEDLO CC(C)(C)C#CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nccs1 ZINC001099069310 1363605862 /nfs/dbraw/zinc/60/58/62/1363605862.db2.gz FKTAQJVERLCIMT-HNNXBMFYSA-N 1 2 347.528 3.299 20 30 EGEDLO Cc1cnc(C[N@@H+]2CC(C)(C)CC[C@H]2CNC(=O)C#CC(C)(C)C)o1 ZINC001099069589 1363605911 /nfs/dbraw/zinc/60/59/11/1363605911.db2.gz JNRBNGXFODCIGW-INIZCTEOSA-N 1 2 345.487 3.139 20 30 EGEDLO Cc1cnc(C[N@H+]2CC(C)(C)CC[C@H]2CNC(=O)C#CC(C)(C)C)o1 ZINC001099069589 1363605913 /nfs/dbraw/zinc/60/59/13/1363605913.db2.gz JNRBNGXFODCIGW-INIZCTEOSA-N 1 2 345.487 3.139 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2Cc2ncc(C)o2)C1 ZINC001099229182 1363702552 /nfs/dbraw/zinc/70/25/52/1363702552.db2.gz HETIYXOWLOBACP-MRXNPFEDSA-N 1 2 345.487 3.446 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2Cc2ncc(C)o2)C1 ZINC001099229182 1363702557 /nfs/dbraw/zinc/70/25/57/1363702557.db2.gz HETIYXOWLOBACP-MRXNPFEDSA-N 1 2 345.487 3.446 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ccn(C)n1 ZINC001099251698 1363713474 /nfs/dbraw/zinc/71/34/74/1363713474.db2.gz NUGFGYCSLPVKKV-KRWDZBQOSA-N 1 2 346.519 3.129 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ccn(C)n1 ZINC001099251698 1363713478 /nfs/dbraw/zinc/71/34/78/1363713478.db2.gz NUGFGYCSLPVKKV-KRWDZBQOSA-N 1 2 346.519 3.129 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@]1(C)CCCOC1 ZINC001099291740 1363735321 /nfs/dbraw/zinc/73/53/21/1363735321.db2.gz LPKUYVOAIMZLIK-YJBOKZPZSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@]1(C)CCCOC1 ZINC001099291740 1363735324 /nfs/dbraw/zinc/73/53/24/1363735324.db2.gz LPKUYVOAIMZLIK-YJBOKZPZSA-N 1 2 342.911 3.162 20 30 EGEDLO CCN(CCNC(=O)C#CC1CC1)c1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001100523403 1364146241 /nfs/dbraw/zinc/14/62/41/1364146241.db2.gz OPRJZBSWHYHJAH-UHFFFAOYSA-N 1 2 342.487 3.079 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCN(CC)c1nc(C)[nH+]c2c1CCCC2 ZINC001100683057 1364216989 /nfs/dbraw/zinc/21/69/89/1364216989.db2.gz MYMIASWUGWBCTM-OAHLLOKOSA-N 1 2 344.503 3.209 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCN(CC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001100684057 1364217416 /nfs/dbraw/zinc/21/74/16/1364217416.db2.gz FLDJRPSXHKUNDN-INIZCTEOSA-N 1 2 332.492 3.453 20 30 EGEDLO C=C1CCC(C(=O)NCCN(CC)c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001100718296 1364233572 /nfs/dbraw/zinc/23/35/72/1364233572.db2.gz ICVCPYCLFKOBQU-UHFFFAOYSA-N 1 2 342.487 3.351 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1CCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001100871635 1364303861 /nfs/dbraw/zinc/30/38/61/1364303861.db2.gz AHELSURLXQJWIS-MRXNPFEDSA-N 1 2 328.460 3.104 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001100873924 1364305797 /nfs/dbraw/zinc/30/57/97/1364305797.db2.gz QRYCRNNWWSPMQH-INIZCTEOSA-N 1 2 330.476 3.089 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001100894132 1364317670 /nfs/dbraw/zinc/31/76/70/1364317670.db2.gz PZOUYVTWIJUHJR-SFHVURJKSA-N 1 2 342.487 3.071 20 30 EGEDLO CCCN(CCNC(=O)[C@H](C)C#N)c1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001101109376 1364416110 /nfs/dbraw/zinc/41/61/10/1364416110.db2.gz SKKKORRJKUIFQP-OAHLLOKOSA-N 1 2 345.491 3.216 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)CCC(C)(C)C)c1nccn12 ZINC001101649672 1364672183 /nfs/dbraw/zinc/67/21/83/1364672183.db2.gz RZAYSZDZNWIPLZ-HZPDHXFCSA-N 1 2 344.503 3.103 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N(C)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001101929458 1364778133 /nfs/dbraw/zinc/77/81/33/1364778133.db2.gz YJJNZPMNWPRPAK-LJQANCHMSA-N 1 2 330.476 3.136 20 30 EGEDLO C=C(C)CCC(=O)NCCCN(c1nc(C)[nH+]c(C)c1C)C(C)C ZINC001102123299 1364872480 /nfs/dbraw/zinc/87/24/80/1364872480.db2.gz QKWCRPWRJANKTO-UHFFFAOYSA-N 1 2 332.492 3.479 20 30 EGEDLO C=CCCC(=O)N(CCC)[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102215166 1364937926 /nfs/dbraw/zinc/93/79/26/1364937926.db2.gz UWNMYUCQDUZKOC-KRWDZBQOSA-N 1 2 330.476 3.185 20 30 EGEDLO C=C(C)CCC(=O)NCC[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102358382 1365021536 /nfs/dbraw/zinc/02/15/36/1365021536.db2.gz FQYCKEYZMPWHAE-KRWDZBQOSA-N 1 2 330.476 3.091 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCC[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102385735 1365035311 /nfs/dbraw/zinc/03/53/11/1365035311.db2.gz NGDAHHOVTAECJL-FXAWDEMLSA-N 1 2 344.503 3.337 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]c(C(C)C)n1 ZINC001102569821 1365119523 /nfs/dbraw/zinc/11/95/23/1365119523.db2.gz FTWWLHBZPBAMOV-IKGGRYGDSA-N 1 2 342.487 3.300 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N(C)[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102756089 1365203931 /nfs/dbraw/zinc/20/39/31/1365203931.db2.gz OMGAHJZINPGZGX-OXJNMPFZSA-N 1 2 342.487 3.302 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CCCCN(c3cc[nH+]c(C)n3)C2)CCCC1 ZINC001102868891 1365261568 /nfs/dbraw/zinc/26/15/68/1365261568.db2.gz KWVHGNDFAOCORM-QGZVFWFLSA-N 1 2 342.487 3.397 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102890061 1365276839 /nfs/dbraw/zinc/27/68/39/1365276839.db2.gz CLNHOGKDGNROKS-KRWDZBQOSA-N 1 2 344.503 3.479 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](CC)Nc2cc[nH+]c(C)n2)CCCCC1 ZINC001103116333 1365390691 /nfs/dbraw/zinc/39/06/91/1365390691.db2.gz WFIQHHMGMALSEP-MRXNPFEDSA-N 1 2 328.460 3.066 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC(CCNc2cc[nH+]c(C)n2)CC1 ZINC001103624692 1365685758 /nfs/dbraw/zinc/68/57/58/1365685758.db2.gz IEDCOCGFZBOESH-CABCVRRESA-N 1 2 330.476 3.284 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC2(CCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001103829880 1365803167 /nfs/dbraw/zinc/80/31/67/1365803167.db2.gz FAGMUWOBIOEXSH-INIZCTEOSA-N 1 2 342.487 3.206 20 30 EGEDLO C#CCCCCC(=O)NC[C@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001103924455 1365836038 /nfs/dbraw/zinc/83/60/38/1365836038.db2.gz LOPUYPAGZUCTMJ-OAHLLOKOSA-N 1 2 330.476 3.266 20 30 EGEDLO C=C[C@H](CC(=O)NC[C@@H](C)CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001103988579 1365861080 /nfs/dbraw/zinc/86/10/80/1365861080.db2.gz FZNXBCLAASCMQM-DOTOQJQBSA-N 1 2 338.455 3.309 20 30 EGEDLO C#CCC1(C(=O)N(C)[C@@H](C)CNc2cc[nH+]c(C)n2)CCCCC1 ZINC001104596424 1366095135 /nfs/dbraw/zinc/09/51/35/1366095135.db2.gz FONSDXVNNDJREW-HNNXBMFYSA-N 1 2 328.460 3.018 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@H](C)C1 ZINC001105055757 1366297009 /nfs/dbraw/zinc/29/70/09/1366297009.db2.gz QVZCLJUGRYGCJY-WBVHZDCISA-N 1 2 328.460 3.018 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N(C)CCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001105547036 1366523392 /nfs/dbraw/zinc/52/33/92/1366523392.db2.gz CYCMVAJYNHHFDD-IBGZPJMESA-N 1 2 330.476 3.159 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CCC[C@@H]2CNc2cc[nH+]c(C)n2)CC1 ZINC001105691042 1366575773 /nfs/dbraw/zinc/57/57/73/1366575773.db2.gz CBFDSORXXVMFIN-HZPDHXFCSA-N 1 2 328.460 3.228 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC001185933390 1387829664 /nfs/dbraw/zinc/82/96/64/1387829664.db2.gz WRHURBLVTSNFIE-UONOGXRCSA-N 1 2 348.491 3.221 20 30 EGEDLO C#CCCCCC(=O)N(CC)CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001106731836 1366783359 /nfs/dbraw/zinc/78/33/59/1366783359.db2.gz JAPOVXOKCJLXCV-UHFFFAOYSA-N 1 2 330.476 3.362 20 30 EGEDLO C#Cc1ccc(C(=O)N(CC)CCNc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC001106906425 1366829508 /nfs/dbraw/zinc/82/95/08/1366829508.db2.gz MERVWIWYVTVLPT-UHFFFAOYSA-N 1 2 348.450 3.218 20 30 EGEDLO C#CC[C@H](CC(=O)NC/C=C/CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001107247816 1366903176 /nfs/dbraw/zinc/90/31/76/1366903176.db2.gz CLUDHJVESYVDAP-IHHMQQGQSA-N 1 2 348.450 3.067 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC/C=C/CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107463642 1366973698 /nfs/dbraw/zinc/97/36/98/1366973698.db2.gz MVXADGDKQIUWPA-CMDGGOBGSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]([N@H+](C)Cc2csc(-c3ccoc3)n2)C1 ZINC001189317784 1366986779 /nfs/dbraw/zinc/98/67/79/1366986779.db2.gz DPLSXWORWZHUCZ-MRXNPFEDSA-N 1 2 345.468 3.402 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2csc(-c3ccoc3)n2)C1 ZINC001189317784 1366986783 /nfs/dbraw/zinc/98/67/83/1366986783.db2.gz DPLSXWORWZHUCZ-MRXNPFEDSA-N 1 2 345.468 3.402 20 30 EGEDLO C=CCOCC(=O)N(C)CCCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001109391485 1367101542 /nfs/dbraw/zinc/10/15/42/1367101542.db2.gz JIROTCUTHVJYHM-UHFFFAOYSA-N 1 2 348.491 3.186 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@]1(C)C[N@H+](Cc2ccsc2)CCO1 ZINC001107971356 1367224020 /nfs/dbraw/zinc/22/40/20/1367224020.db2.gz QKUSFGLUWRWTNT-GOSISDBHSA-N 1 2 336.501 3.058 20 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C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)cs1 ZINC001109681591 1367280099 /nfs/dbraw/zinc/28/00/99/1367280099.db2.gz AAMPZHWHZBUAEN-LDDOYCOJSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001109681591 1367280101 /nfs/dbraw/zinc/28/01/01/1367280101.db2.gz AAMPZHWHZBUAEN-LDDOYCOJSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@]1(C)C[N@H+](Cc2ccsc2)CCO1 ZINC001108188415 1367330979 /nfs/dbraw/zinc/33/09/79/1367330979.db2.gz SPJLRBNPPFPDLL-MSOLQXFVSA-N 1 2 336.501 3.058 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@]1(C)C[N@@H+](Cc2ccsc2)CCO1 ZINC001108188415 1367330985 /nfs/dbraw/zinc/33/09/85/1367330985.db2.gz SPJLRBNPPFPDLL-MSOLQXFVSA-N 1 2 336.501 3.058 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C)c2ccc(CC)cc2)C1 ZINC001108210803 1367344101 /nfs/dbraw/zinc/34/41/01/1367344101.db2.gz GQORMXZMWFWPGT-UTKZUKDTSA-N 1 2 344.499 3.136 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C)c2ccc(CC)cc2)C1 ZINC001108210803 1367344105 /nfs/dbraw/zinc/34/41/05/1367344105.db2.gz GQORMXZMWFWPGT-UTKZUKDTSA-N 1 2 344.499 3.136 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)CC2CCCCC2)C1 ZINC001108255954 1367366367 /nfs/dbraw/zinc/36/63/67/1367366367.db2.gz PGOXRVBISWYESU-CTNGQTDRSA-N 1 2 348.531 3.213 20 30 EGEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)CC2CCCCC2)C1 ZINC001108255954 1367366370 /nfs/dbraw/zinc/36/63/70/1367366370.db2.gz PGOXRVBISWYESU-CTNGQTDRSA-N 1 2 348.531 3.213 20 30 EGEDLO C=C(C)CCC(=O)N[C@H](CNc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001109915556 1367402205 /nfs/dbraw/zinc/40/22/05/1367402205.db2.gz GQPQIJAWLLNPNF-MRXNPFEDSA-N 1 2 328.460 3.325 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)CCCc2ccccc2)C1 ZINC001108425220 1367449037 /nfs/dbraw/zinc/44/90/37/1367449037.db2.gz AFFOKUNHQPTNEI-GHTZIAJQSA-N 1 2 344.499 3.039 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)CCCc2ccccc2)C1 ZINC001108425220 1367449038 /nfs/dbraw/zinc/44/90/38/1367449038.db2.gz AFFOKUNHQPTNEI-GHTZIAJQSA-N 1 2 344.499 3.039 20 30 EGEDLO C=CCC[C@@H](C(=O)N[C@@H](C)CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001108435069 1367456759 /nfs/dbraw/zinc/45/67/59/1367456759.db2.gz IIBSBGWBJZOSIV-MAUKXSAKSA-N 1 2 338.455 3.452 20 30 EGEDLO C#CC[C@H](CC(=O)NCC1(Nc2cc[nH+]c(C)n2)CC1)c1ccccc1 ZINC001110169894 1367541650 /nfs/dbraw/zinc/54/16/50/1367541650.db2.gz CAZCXEOLLBWUKE-GOSISDBHSA-N 1 2 348.450 3.043 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCCOCC)C2 ZINC001110176996 1367546688 /nfs/dbraw/zinc/54/66/88/1367546688.db2.gz CDTLTWFDIVMJRX-PMPSAXMXSA-N 1 2 328.884 3.057 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCCOCC)C2 ZINC001110176996 1367546690 /nfs/dbraw/zinc/54/66/90/1367546690.db2.gz CDTLTWFDIVMJRX-PMPSAXMXSA-N 1 2 328.884 3.057 20 30 EGEDLO C=CCC1(C(=O)NCC2(Nc3cc(C)[nH+]c(C4CC4)n3)CC2)CCC1 ZINC001110327537 1367644719 /nfs/dbraw/zinc/64/47/19/1367644719.db2.gz YENHLPQDEXJLEV-UHFFFAOYSA-N 1 2 340.471 3.470 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3ncc(C4CC4)o3)C2)CCC1 ZINC001192217854 1367720282 /nfs/dbraw/zinc/72/02/82/1367720282.db2.gz KXJBMOIRQURJRC-INIZCTEOSA-N 1 2 343.471 3.331 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3ncc(C4CC4)o3)C2)CCC1 ZINC001192217854 1367720286 /nfs/dbraw/zinc/72/02/86/1367720286.db2.gz KXJBMOIRQURJRC-INIZCTEOSA-N 1 2 343.471 3.331 20 30 EGEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC=C(Cl)Cl ZINC001109121982 1367780877 /nfs/dbraw/zinc/78/08/77/1367780877.db2.gz QTNHCCWPNHQKCY-RDBSUJKOSA-N 1 2 347.286 3.010 20 30 EGEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(Cl)Cl ZINC001109121982 1367780881 /nfs/dbraw/zinc/78/08/81/1367780881.db2.gz QTNHCCWPNHQKCY-RDBSUJKOSA-N 1 2 347.286 3.010 20 30 EGEDLO CCCCCCC[C@H](C)NC(=O)N(CC)CC[NH+]1CCOCC1 ZINC001192931987 1367906709 /nfs/dbraw/zinc/90/67/09/1367906709.db2.gz XSJMPSVMJHONEP-KRWDZBQOSA-N 1 2 327.513 3.099 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001110888857 1368061154 /nfs/dbraw/zinc/06/11/54/1368061154.db2.gz YIGMDLUTEGTARP-ZACQAIPSSA-N 1 2 331.435 3.045 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1 ZINC001110888857 1368061160 /nfs/dbraw/zinc/06/11/60/1368061160.db2.gz YIGMDLUTEGTARP-ZACQAIPSSA-N 1 2 331.435 3.045 20 30 EGEDLO C=CCCC(=O)NC[C@]1(C)CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001110920437 1368092270 /nfs/dbraw/zinc/09/22/70/1368092270.db2.gz RHQJQOPRTORGJY-FQEVSTJZSA-N 1 2 342.487 3.351 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C2CC2)no1 ZINC001110933626 1368103194 /nfs/dbraw/zinc/10/31/94/1368103194.db2.gz PDQVNFDCXYOXMX-LZBRWLDZSA-N 1 2 343.471 3.376 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C2CC2)no1 ZINC001110933626 1368103196 /nfs/dbraw/zinc/10/31/96/1368103196.db2.gz PDQVNFDCXYOXMX-LZBRWLDZSA-N 1 2 343.471 3.376 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccns2)CCC1 ZINC001110986961 1368134316 /nfs/dbraw/zinc/13/43/16/1368134316.db2.gz CIKCVIMXHAQYQS-BMFZPTHFSA-N 1 2 331.485 3.111 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccns2)CCC1 ZINC001110986961 1368134323 /nfs/dbraw/zinc/13/43/23/1368134323.db2.gz CIKCVIMXHAQYQS-BMFZPTHFSA-N 1 2 331.485 3.111 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001110989735 1368136376 /nfs/dbraw/zinc/13/63/76/1368136376.db2.gz UMUDZYDPZPISBQ-VXIBKDFQSA-N 1 2 331.435 3.045 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001110989735 1368136378 /nfs/dbraw/zinc/13/63/78/1368136378.db2.gz UMUDZYDPZPISBQ-VXIBKDFQSA-N 1 2 331.435 3.045 20 30 EGEDLO C=CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccon2)C1)c1ccccc1 ZINC001194173751 1368198087 /nfs/dbraw/zinc/19/80/87/1368198087.db2.gz DHLLUVGJRRCLOF-RTBURBONSA-N 1 2 339.439 3.067 20 30 EGEDLO C=CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccon2)C1)c1ccccc1 ZINC001194173751 1368198092 /nfs/dbraw/zinc/19/80/92/1368198092.db2.gz DHLLUVGJRRCLOF-RTBURBONSA-N 1 2 339.439 3.067 20 30 EGEDLO C=C[C@H](CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccon2)C1)c1ccccc1 ZINC001194200838 1368207665 /nfs/dbraw/zinc/20/76/65/1368207665.db2.gz ONNLUCJTFBAULA-VQIMIIECSA-N 1 2 339.439 3.067 20 30 EGEDLO C=C[C@H](CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccon2)C1)c1ccccc1 ZINC001194200838 1368207670 /nfs/dbraw/zinc/20/76/70/1368207670.db2.gz ONNLUCJTFBAULA-VQIMIIECSA-N 1 2 339.439 3.067 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccc(C)s1)C2 ZINC001111515034 1368323415 /nfs/dbraw/zinc/32/34/15/1368323415.db2.gz IKHXITPUHGOYLO-BMFZPTHFSA-N 1 2 338.904 3.463 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccc(C)s1)C2 ZINC001111515034 1368323421 /nfs/dbraw/zinc/32/34/21/1368323421.db2.gz IKHXITPUHGOYLO-BMFZPTHFSA-N 1 2 338.904 3.463 20 30 EGEDLO Cc1cc(NC[C@H]2CC[C@H](NC(=O)[C@@H](C)C#N)CC2)nc(C(C)C)[nH+]1 ZINC001111640088 1368403317 /nfs/dbraw/zinc/40/33/17/1368403317.db2.gz SCRKOQNSJDZRRE-BPUTZDHNSA-N 1 2 343.475 3.155 20 30 EGEDLO CC/C(C)=C\C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001195762259 1368484237 /nfs/dbraw/zinc/48/42/37/1368484237.db2.gz ZNZXFSRKRKPNKC-PTNGSMBKSA-N 1 2 329.419 3.088 20 30 EGEDLO CC/C(C)=C\C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001195762259 1368484240 /nfs/dbraw/zinc/48/42/40/1368484240.db2.gz ZNZXFSRKRKPNKC-PTNGSMBKSA-N 1 2 329.419 3.088 20 30 EGEDLO C#CCC1(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3F)CC2)CCC1 ZINC001196138427 1368556530 /nfs/dbraw/zinc/55/65/30/1368556530.db2.gz MJLSMZLWAQFKGB-UHFFFAOYSA-N 1 2 346.421 3.193 20 30 EGEDLO C#CCC1(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3F)CC2)CCC1 ZINC001196138427 1368556539 /nfs/dbraw/zinc/55/65/39/1368556539.db2.gz MJLSMZLWAQFKGB-UHFFFAOYSA-N 1 2 346.421 3.193 20 30 EGEDLO CCCC[C@](C)(F)C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC001196357625 1368597391 /nfs/dbraw/zinc/59/73/91/1368597391.db2.gz HSFACLHPQQLTGT-NRFANRHFSA-N 1 2 344.474 3.491 20 30 EGEDLO CCCC[C@](C)(F)C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001196357625 1368597396 /nfs/dbraw/zinc/59/73/96/1368597396.db2.gz HSFACLHPQQLTGT-NRFANRHFSA-N 1 2 344.474 3.491 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[N@@H+](Cc2cccc(Cl)n2)CC1 ZINC001196769594 1368680464 /nfs/dbraw/zinc/68/04/64/1368680464.db2.gz FKHGXLALKZQCFR-UHFFFAOYSA-N 1 2 347.890 3.353 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[N@H+](Cc2cccc(Cl)n2)CC1 ZINC001196769594 1368680467 /nfs/dbraw/zinc/68/04/67/1368680467.db2.gz FKHGXLALKZQCFR-UHFFFAOYSA-N 1 2 347.890 3.353 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC001196829226 1368692911 /nfs/dbraw/zinc/69/29/11/1368692911.db2.gz FJFRMVUBGPALCS-DLBZAZTESA-N 1 2 346.519 3.131 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC001196829226 1368692914 /nfs/dbraw/zinc/69/29/14/1368692914.db2.gz FJFRMVUBGPALCS-DLBZAZTESA-N 1 2 346.519 3.131 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2ccncc2Cl)CC1 ZINC001196853244 1368698879 /nfs/dbraw/zinc/69/88/79/1368698879.db2.gz IYMVBPQZIHLUEG-GJZGRUSLSA-N 1 2 335.879 3.228 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccncc2Cl)CC1 ZINC001196853244 1368698880 /nfs/dbraw/zinc/69/88/80/1368698880.db2.gz IYMVBPQZIHLUEG-GJZGRUSLSA-N 1 2 335.879 3.228 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001196854028 1368699631 /nfs/dbraw/zinc/69/96/31/1368699631.db2.gz OMVPHDXZOLRELZ-IRXDYDNUSA-N 1 2 325.456 3.051 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001196854028 1368699633 /nfs/dbraw/zinc/69/96/33/1368699633.db2.gz OMVPHDXZOLRELZ-IRXDYDNUSA-N 1 2 325.456 3.051 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001196853843 1368700096 /nfs/dbraw/zinc/70/00/96/1368700096.db2.gz MGCSMSRNETUDOH-ZWKOTPCHSA-N 1 2 342.458 3.170 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001196853843 1368700098 /nfs/dbraw/zinc/70/00/98/1368700098.db2.gz MGCSMSRNETUDOH-ZWKOTPCHSA-N 1 2 342.458 3.170 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001196901364 1368710611 /nfs/dbraw/zinc/71/06/11/1368710611.db2.gz NJDRVNYMYOEJME-MRXNPFEDSA-N 1 2 343.446 3.334 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001196901364 1368710614 /nfs/dbraw/zinc/71/06/14/1368710614.db2.gz NJDRVNYMYOEJME-MRXNPFEDSA-N 1 2 343.446 3.334 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@@]2(CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001112219666 1368729082 /nfs/dbraw/zinc/72/90/82/1368729082.db2.gz WKFHUKWKWHYPES-UZLBHIALSA-N 1 2 342.487 3.206 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001112383488 1368812373 /nfs/dbraw/zinc/81/23/73/1368812373.db2.gz ZLSOJVQLCWLEBW-CVEARBPZSA-N 1 2 330.476 3.108 20 30 EGEDLO CC[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001197586213 1368845525 /nfs/dbraw/zinc/84/55/25/1368845525.db2.gz CUCSLORLFXXIEY-LSDHHAIUSA-N 1 2 333.501 3.336 20 30 EGEDLO CC[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001197586213 1368845529 /nfs/dbraw/zinc/84/55/29/1368845529.db2.gz CUCSLORLFXXIEY-LSDHHAIUSA-N 1 2 333.501 3.336 20 30 EGEDLO CC(C)C[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001197605708 1368852635 /nfs/dbraw/zinc/85/26/35/1368852635.db2.gz CQVOQLANZGNEAX-INIZCTEOSA-N 1 2 345.462 3.414 20 30 EGEDLO CC(C)C[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001197605708 1368852637 /nfs/dbraw/zinc/85/26/37/1368852637.db2.gz CQVOQLANZGNEAX-INIZCTEOSA-N 1 2 345.462 3.414 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CCCc2cccs2)CC1 ZINC001198053908 1368950369 /nfs/dbraw/zinc/95/03/69/1368950369.db2.gz MSIJUFMFUADGSN-UHFFFAOYSA-N 1 2 326.893 3.358 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CCCc2cccs2)CC1 ZINC001198053908 1368950372 /nfs/dbraw/zinc/95/03/72/1368950372.db2.gz MSIJUFMFUADGSN-UHFFFAOYSA-N 1 2 326.893 3.358 20 30 EGEDLO C#CCCCC(=O)N1CCC[C@H]1CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001112794829 1369007447 /nfs/dbraw/zinc/00/74/47/1369007447.db2.gz SPINHEYRPRVQLU-KRWDZBQOSA-N 1 2 342.487 3.139 20 30 EGEDLO C=C(C)CCC(=O)N1CC[NH+](CCOc2c(C)cccc2C)CC1 ZINC001112904335 1369083217 /nfs/dbraw/zinc/08/32/17/1369083217.db2.gz PNAKEDFTSAZUPT-UHFFFAOYSA-N 1 2 330.472 3.183 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)C1CC2(CC2)C1)c1ccccc1OC ZINC001198902138 1369144271 /nfs/dbraw/zinc/14/42/71/1369144271.db2.gz GIVNULNZIYJRIV-MRXNPFEDSA-N 1 2 348.874 3.385 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC[NH+](CCOc2cccc(CC)c2)CC1 ZINC001113229603 1369277281 /nfs/dbraw/zinc/27/72/81/1369277281.db2.gz MWDUCQUCHYAYSK-MSOLQXFVSA-N 1 2 344.499 3.230 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC[NH+](CCOc2cc(C)ccc2C)CC1 ZINC001113229286 1369277362 /nfs/dbraw/zinc/27/73/62/1369277362.db2.gz GSMIRJRNDYUIHA-MJGOQNOKSA-N 1 2 344.499 3.285 20 30 EGEDLO CC#CCCCC(=O)N1CC[NH+](CCOc2c(C)cccc2C)CC1 ZINC001113235366 1369282443 /nfs/dbraw/zinc/28/24/43/1369282443.db2.gz XZGHOVVDCUGDFB-UHFFFAOYSA-N 1 2 342.483 3.020 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[NH+](Cc2ccc(C)c(OC)c2)CC1 ZINC001113247044 1369289718 /nfs/dbraw/zinc/28/97/18/1369289718.db2.gz YICIUELAENDPIX-KRWDZBQOSA-N 1 2 330.472 3.250 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC001113248434 1369290569 /nfs/dbraw/zinc/29/05/69/1369290569.db2.gz ZEHOMNMQEGAFQE-QGZVFWFLSA-N 1 2 330.472 3.250 20 30 EGEDLO Cc1ccc(S(=O)(=O)Nc2cc[nH+]c(C(C)(C)C)c2)cc1C#N ZINC001201295446 1369512806 /nfs/dbraw/zinc/51/28/06/1369512806.db2.gz RFVMGABXFDNTMS-UHFFFAOYSA-N 1 2 329.425 3.360 20 30 EGEDLO N#Cc1ccc(Nc2cccc(OCC[NH+]3CCOCC3)c2)c(F)c1 ZINC001201569937 1369579173 /nfs/dbraw/zinc/57/91/73/1369579173.db2.gz XJMYAMMSMPSARS-UHFFFAOYSA-N 1 2 341.386 3.152 20 30 EGEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(CC(C)C)cc2)CC1 ZINC001113712874 1369581858 /nfs/dbraw/zinc/58/18/58/1369581858.db2.gz HCNCGMFZIUZDKO-SFHVURJKSA-N 1 2 344.499 3.120 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001113726159 1369587891 /nfs/dbraw/zinc/58/78/91/1369587891.db2.gz AJLCFRIZPIQAIG-OAHLLOKOSA-N 1 2 342.487 3.372 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001113816899 1369620736 /nfs/dbraw/zinc/62/07/36/1369620736.db2.gz ABFPSOLEUUIWPR-CQSZACIVSA-N 1 2 330.476 3.206 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001113823009 1369624276 /nfs/dbraw/zinc/62/42/76/1369624276.db2.gz YEMAJLVYAFQCMT-CABCVRRESA-N 1 2 330.476 3.206 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H](C)N(C)c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001113863206 1369638881 /nfs/dbraw/zinc/63/88/81/1369638881.db2.gz RNGZZYCJSWGGSK-HNNXBMFYSA-N 1 2 330.476 3.206 20 30 EGEDLO CC/C=C(/C)C(=O)NC1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@@H]12 ZINC001113966967 1369668652 /nfs/dbraw/zinc/66/86/52/1369668652.db2.gz ZHJPCNRTEUXBOY-XGZVUVRESA-N 1 2 342.870 3.094 20 30 EGEDLO CC/C=C(/C)C(=O)NC1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@@H]12 ZINC001113966967 1369668653 /nfs/dbraw/zinc/66/86/53/1369668653.db2.gz ZHJPCNRTEUXBOY-XGZVUVRESA-N 1 2 342.870 3.094 20 30 EGEDLO COc1ccc(NC(=O)Nc2sc3c(c2C#N)CC[N@@H+](C)C3)cc1 ZINC001202384222 1369756847 /nfs/dbraw/zinc/75/68/47/1369756847.db2.gz JOGFIOHWVDFPMV-UHFFFAOYSA-N 1 2 342.424 3.260 20 30 EGEDLO COc1ccc(NC(=O)Nc2sc3c(c2C#N)CC[N@H+](C)C3)cc1 ZINC001202384222 1369756851 /nfs/dbraw/zinc/75/68/51/1369756851.db2.gz JOGFIOHWVDFPMV-UHFFFAOYSA-N 1 2 342.424 3.260 20 30 EGEDLO CCCC[C@H](CNc1cc(C)[nH+]c(C2CC2)n1)NC(=O)C#CC1CC1 ZINC001114254431 1369830563 /nfs/dbraw/zinc/83/05/63/1369830563.db2.gz JXKHLXNWUSLVAL-QGZVFWFLSA-N 1 2 340.471 3.163 20 30 EGEDLO N#Cc1cccc(NC(=O)NCc2c[nH+]cn2Cc2ccccc2)c1 ZINC001202797567 1369896345 /nfs/dbraw/zinc/89/63/45/1369896345.db2.gz ABCUNQHTQBIHDI-UHFFFAOYSA-N 1 2 331.379 3.125 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(C(C)(C)C)cs3)C[C@H]21 ZINC001114352876 1369907999 /nfs/dbraw/zinc/90/79/99/1369907999.db2.gz IWILRRGXJHARGS-UOIKSKOESA-N 1 2 347.528 3.343 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(C(C)(C)C)cs3)C[C@H]21 ZINC001114352876 1369908000 /nfs/dbraw/zinc/90/80/00/1369908000.db2.gz IWILRRGXJHARGS-UOIKSKOESA-N 1 2 347.528 3.343 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C(CC)CC ZINC001114499403 1369976227 /nfs/dbraw/zinc/97/62/27/1369976227.db2.gz QIINENLGIJBVRS-RZFFKMDDSA-N 1 2 343.309 3.014 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C(CC)CC ZINC001114499403 1369976228 /nfs/dbraw/zinc/97/62/28/1369976228.db2.gz QIINENLGIJBVRS-RZFFKMDDSA-N 1 2 343.309 3.014 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(C(C)(C)C)on3)C[C@H]21 ZINC001114677225 1370020090 /nfs/dbraw/zinc/02/00/90/1370020090.db2.gz AFVIEBOXFZCZTM-QLPKVWCKSA-N 1 2 345.487 3.121 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(C(C)(C)C)on3)C[C@H]21 ZINC001114677225 1370020094 /nfs/dbraw/zinc/02/00/94/1370020094.db2.gz AFVIEBOXFZCZTM-QLPKVWCKSA-N 1 2 345.487 3.121 20 30 EGEDLO Cc1cc(NC[C@H]2C[C@@H](C)N(C(=O)C#CC(C)C)C2)nc(C(C)C)[nH+]1 ZINC001114682500 1370022942 /nfs/dbraw/zinc/02/29/42/1370022942.db2.gz YKSNDTUVXLENES-IAGOWNOFSA-N 1 2 342.487 3.217 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001203763755 1370255506 /nfs/dbraw/zinc/25/55/06/1370255506.db2.gz JUZULQFLHOVFFA-IRXDYDNUSA-N 1 2 327.428 3.142 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001203763755 1370255507 /nfs/dbraw/zinc/25/55/07/1370255507.db2.gz JUZULQFLHOVFFA-IRXDYDNUSA-N 1 2 327.428 3.142 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC(N(C)c2nc(C)[nH+]c(C)c2C)CC1 ZINC001115147848 1370311902 /nfs/dbraw/zinc/31/19/02/1370311902.db2.gz NKSARIBGXXOYHJ-UHFFFAOYSA-N 1 2 344.503 3.431 20 30 EGEDLO COc1cc(C[N@H+](C)Cc2ccccc2C#N)cc(OC)c1OC ZINC001204371844 1370457351 /nfs/dbraw/zinc/45/73/51/1370457351.db2.gz PYVPSTKMYLOGJN-UHFFFAOYSA-N 1 2 326.396 3.216 20 30 EGEDLO COc1cc(C[N@@H+](C)Cc2ccccc2C#N)cc(OC)c1OC ZINC001204371844 1370457354 /nfs/dbraw/zinc/45/73/54/1370457354.db2.gz PYVPSTKMYLOGJN-UHFFFAOYSA-N 1 2 326.396 3.216 20 30 EGEDLO N[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)cc(OC(F)(F)F)c2)C1 ZINC001206238174 1371000408 /nfs/dbraw/zinc/00/04/08/1371000408.db2.gz PVPMHZSDIYHCAR-NSHDSACASA-N 1 2 346.246 3.190 20 30 EGEDLO N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)cc(OC(F)(F)F)c2)C1 ZINC001206238174 1371000411 /nfs/dbraw/zinc/00/04/11/1371000411.db2.gz PVPMHZSDIYHCAR-NSHDSACASA-N 1 2 346.246 3.190 20 30 EGEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc(C2(C#N)CC2)cn1 ZINC001206481949 1371068232 /nfs/dbraw/zinc/06/82/32/1371068232.db2.gz CICJPTKOLZEUGP-UHFFFAOYSA-N 1 2 349.434 3.145 20 30 EGEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc(/C=N/O)c(F)c1 ZINC001206532886 1371084836 /nfs/dbraw/zinc/08/48/36/1371084836.db2.gz NMUDLMDHGDFPRZ-CIAFOILYSA-N 1 2 344.386 3.142 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](CC=C(Cl)Cl)C[C@H]1C)OCC ZINC001207255796 1371342607 /nfs/dbraw/zinc/34/26/07/1371342607.db2.gz PRKSUDVHSMMQKG-MGPQQGTHSA-N 1 2 349.302 3.113 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@@H+](CC=C(Cl)Cl)C[C@H]1C)OCC ZINC001207255796 1371342610 /nfs/dbraw/zinc/34/26/10/1371342610.db2.gz PRKSUDVHSMMQKG-MGPQQGTHSA-N 1 2 349.302 3.113 20 30 EGEDLO O=C1C=C2C[N@H+](CCc3ccc(Br)cc3)CCC2S1 ZINC001207379593 1371379783 /nfs/dbraw/zinc/37/97/83/1371379783.db2.gz BPOCCQXPNKVESX-AWEZNQCLSA-N 1 2 338.270 3.266 20 30 EGEDLO O=C1C=C2C[N@@H+](CCc3ccc(Br)cc3)CCC2S1 ZINC001207379593 1371379794 /nfs/dbraw/zinc/37/97/94/1371379794.db2.gz BPOCCQXPNKVESX-AWEZNQCLSA-N 1 2 338.270 3.266 20 30 EGEDLO O=C1C=C2C[N@H+](CCc3ccc(Br)cc3)CC[C@@H]2S1 ZINC001207379593 1371379796 /nfs/dbraw/zinc/37/97/96/1371379796.db2.gz BPOCCQXPNKVESX-AWEZNQCLSA-N 1 2 338.270 3.266 20 30 EGEDLO O=C1C=C2C[N@@H+](CCc3ccc(Br)cc3)CC[C@@H]2S1 ZINC001207379593 1371379799 /nfs/dbraw/zinc/37/97/99/1371379799.db2.gz BPOCCQXPNKVESX-AWEZNQCLSA-N 1 2 338.270 3.266 20 30 EGEDLO N#Cc1ccnc(CSCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001120251338 1371514736 /nfs/dbraw/zinc/51/47/36/1371514736.db2.gz JPCKZZHQZQHDPZ-UHFFFAOYSA-N 1 2 339.464 3.219 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001208393260 1371751888 /nfs/dbraw/zinc/75/18/88/1371751888.db2.gz MJWUFGSWIYUDOB-IIAWOOMASA-N 1 2 331.460 3.091 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001208393260 1371751893 /nfs/dbraw/zinc/75/18/93/1371751893.db2.gz MJWUFGSWIYUDOB-IIAWOOMASA-N 1 2 331.460 3.091 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3coc(C4CC4)n3)C[C@H]2C)CCC1 ZINC001208517722 1371797491 /nfs/dbraw/zinc/79/74/91/1371797491.db2.gz RUOHBTZGEGQGGY-RHSMWYFYSA-N 1 2 343.471 3.235 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3coc(C4CC4)n3)C[C@H]2C)CCC1 ZINC001208517722 1371797494 /nfs/dbraw/zinc/79/74/94/1371797494.db2.gz RUOHBTZGEGQGGY-RHSMWYFYSA-N 1 2 343.471 3.235 20 30 EGEDLO C=CCN(CC[N@H+](CC(=O)c1ccccc1)C(C)C)C(=O)OCC ZINC001209020273 1371975953 /nfs/dbraw/zinc/97/59/53/1371975953.db2.gz FQVAPMZAXHDODT-UHFFFAOYSA-N 1 2 332.444 3.224 20 30 EGEDLO C=CCN(CC[N@@H+](CC(=O)c1ccccc1)C(C)C)C(=O)OCC ZINC001209020273 1371975955 /nfs/dbraw/zinc/97/59/55/1371975955.db2.gz FQVAPMZAXHDODT-UHFFFAOYSA-N 1 2 332.444 3.224 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(CC1CC1)C1CCC1 ZINC001121509074 1371994817 /nfs/dbraw/zinc/99/48/17/1371994817.db2.gz CUSLCECXUPIWSO-KRWDZBQOSA-N 1 2 329.492 3.390 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(CC1CC1)C1CCC1 ZINC001121509074 1371994821 /nfs/dbraw/zinc/99/48/21/1371994821.db2.gz CUSLCECXUPIWSO-KRWDZBQOSA-N 1 2 329.492 3.390 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1ccoc1C ZINC001121509391 1371994919 /nfs/dbraw/zinc/99/49/19/1371994919.db2.gz HVJFJZJIMLIMRO-MRXNPFEDSA-N 1 2 329.448 3.159 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)Cc1ccoc1C ZINC001121509391 1371994925 /nfs/dbraw/zinc/99/49/25/1371994925.db2.gz HVJFJZJIMLIMRO-MRXNPFEDSA-N 1 2 329.448 3.159 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC(F)(F)C[C@H]1C ZINC001121613366 1372025390 /nfs/dbraw/zinc/02/53/90/1372025390.db2.gz XKJKJXXSJDSERB-ZIAGYGMSSA-N 1 2 339.434 3.245 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC(F)(F)C[C@H]1C ZINC001121613366 1372025395 /nfs/dbraw/zinc/02/53/95/1372025395.db2.gz XKJKJXXSJDSERB-ZIAGYGMSSA-N 1 2 339.434 3.245 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[C@H]([NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC001209184120 1372028703 /nfs/dbraw/zinc/02/87/03/1372028703.db2.gz QUFUCVKTTOUNAZ-CABCVRRESA-N 1 2 348.491 3.050 20 30 EGEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC(C)(C)C[C@H]1C ZINC001121801572 1372085921 /nfs/dbraw/zinc/08/59/21/1372085921.db2.gz RKTYLOKPUAMGTL-OAHLLOKOSA-N 1 2 344.507 3.016 20 30 EGEDLO C=CCCCCC[N@H+]1CCc2c(ncn2C(C)C)[C@@H]1CNC(C)=O ZINC001209422417 1372102249 /nfs/dbraw/zinc/10/22/49/1372102249.db2.gz AFVQSTIUYUJIPL-SFHVURJKSA-N 1 2 332.492 3.246 20 30 EGEDLO C=CCCCCC[N@@H+]1CCc2c(ncn2C(C)C)[C@@H]1CNC(C)=O ZINC001209422417 1372102253 /nfs/dbraw/zinc/10/22/53/1372102253.db2.gz AFVQSTIUYUJIPL-SFHVURJKSA-N 1 2 332.492 3.246 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H](C2CC2)C1 ZINC001122536757 1372268213 /nfs/dbraw/zinc/26/82/13/1372268213.db2.gz MCZQRSOZYOZQJV-SJORKVTESA-N 1 2 329.492 3.247 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H](C2CC2)C1 ZINC001122536757 1372268217 /nfs/dbraw/zinc/26/82/17/1372268217.db2.gz MCZQRSOZYOZQJV-SJORKVTESA-N 1 2 329.492 3.247 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCSC(C)(C)C1 ZINC001122623647 1372285741 /nfs/dbraw/zinc/28/57/41/1372285741.db2.gz YBISLUUYDVKDKQ-HNNXBMFYSA-N 1 2 349.548 3.343 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCSC(C)(C)C1 ZINC001122623647 1372285744 /nfs/dbraw/zinc/28/57/44/1372285744.db2.gz YBISLUUYDVKDKQ-HNNXBMFYSA-N 1 2 349.548 3.343 20 30 EGEDLO CC#CCCCC(=O)N1C[C@@H]2CCC[C@@H](Nc3cc[nH+]c(C)n3)[C@@H]2C1 ZINC001123487263 1372487412 /nfs/dbraw/zinc/48/74/12/1372487412.db2.gz NHEBBXRYIMUIBA-RCCFBDPRSA-N 1 2 340.471 3.018 20 30 EGEDLO C=CC[C@@H]1CCCN(c2nnc([C@@H]3CCC[N@H+]3C)n2CC2CC2)C1 ZINC001123728924 1372570837 /nfs/dbraw/zinc/57/08/37/1372570837.db2.gz HICJGMDLOMRVKF-WBVHZDCISA-N 1 2 329.492 3.247 20 30 EGEDLO C=CC[C@@H]1CCCN(c2nnc([C@@H]3CCC[N@@H+]3C)n2CC2CC2)C1 ZINC001123728924 1372570844 /nfs/dbraw/zinc/57/08/44/1372570844.db2.gz HICJGMDLOMRVKF-WBVHZDCISA-N 1 2 329.492 3.247 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[C@@H](CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001123760298 1372579451 /nfs/dbraw/zinc/57/94/51/1372579451.db2.gz ITUUSTDMQLYDOW-CVEARBPZSA-N 1 2 342.487 3.327 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001123776876 1372585058 /nfs/dbraw/zinc/58/50/58/1372585058.db2.gz HHKFMDDIVDVORT-IRXDYDNUSA-N 1 2 342.487 3.409 20 30 EGEDLO Cc1cc(C#N)c(Nc2ccc(C[NH+]3CC(O)C3)cc2)cc1Cl ZINC001212672828 1372750326 /nfs/dbraw/zinc/75/03/26/1372750326.db2.gz YSYSIOAFHRAADQ-UHFFFAOYSA-N 1 2 327.815 3.440 20 30 EGEDLO N#Cc1c(F)c(Cl)ccc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212672287 1372750361 /nfs/dbraw/zinc/75/03/61/1372750361.db2.gz KITZTOWUFPDVFT-UHFFFAOYSA-N 1 2 331.778 3.271 20 30 EGEDLO N#C[C@H]1CC=C(Nc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC001212862611 1372787175 /nfs/dbraw/zinc/78/71/75/1372787175.db2.gz OGHUUUHBGVXLII-INIZCTEOSA-N 1 2 327.428 3.017 20 30 EGEDLO N#CC[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC001125584330 1372813392 /nfs/dbraw/zinc/81/33/92/1372813392.db2.gz JGJFGYADRMJOEU-LJQANCHMSA-N 1 2 330.391 3.186 20 30 EGEDLO C=C1CCC(C(=O)N(CCN(C)c2cc[nH+]c(C)n2)C(C)C)CC1 ZINC001125659926 1372831194 /nfs/dbraw/zinc/83/11/94/1372831194.db2.gz IGSFFMKAYOKSDN-UHFFFAOYSA-N 1 2 330.476 3.205 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3nnc(C)s3)C[C@H]21 ZINC001188063961 1388233185 /nfs/dbraw/zinc/23/31/85/1388233185.db2.gz UGKNGSNBAPGGGY-VHDGCEQUSA-N 1 2 348.516 3.043 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+]([C@H](C)c3nnc(C)s3)C[C@H]21 ZINC001188063961 1388233190 /nfs/dbraw/zinc/23/31/90/1388233190.db2.gz UGKNGSNBAPGGGY-VHDGCEQUSA-N 1 2 348.516 3.043 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H](C)CC)c2C1 ZINC001128202376 1373233547 /nfs/dbraw/zinc/23/35/47/1373233547.db2.gz GAFQZMZQWITZNC-INIZCTEOSA-N 1 2 334.508 3.331 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@@H](C)CC)c2C1 ZINC001128202376 1373233549 /nfs/dbraw/zinc/23/35/49/1373233549.db2.gz GAFQZMZQWITZNC-INIZCTEOSA-N 1 2 334.508 3.331 20 30 EGEDLO COc1ccc([NH+]=C(NO)c2ccccc2N)c(OC(F)(F)F)c1 ZINC001215950717 1373252133 /nfs/dbraw/zinc/25/21/33/1373252133.db2.gz XJNQSWGIXKYPBP-UHFFFAOYSA-N 1 2 341.289 3.233 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CC34CC4)c2C1 ZINC001128504360 1373278686 /nfs/dbraw/zinc/27/86/86/1373278686.db2.gz NBXQWRAOWMPKSH-KRWDZBQOSA-N 1 2 344.503 3.085 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CC34CC4)c2C1 ZINC001128504360 1373278688 /nfs/dbraw/zinc/27/86/88/1373278688.db2.gz NBXQWRAOWMPKSH-KRWDZBQOSA-N 1 2 344.503 3.085 20 30 EGEDLO N#Cc1cc(Br)ccc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001131308880 1373678142 /nfs/dbraw/zinc/67/81/42/1373678142.db2.gz CGXVNOQZWGFQKZ-UHFFFAOYSA-N 1 2 341.168 3.221 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CCCCCC)C[C@H](C)O2 ZINC001131696870 1373768699 /nfs/dbraw/zinc/76/86/99/1373768699.db2.gz CBQRZRVEJREKHF-FUHWJXTLSA-N 1 2 342.911 3.401 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCCCCC)C[C@H](C)O2 ZINC001131696870 1373768702 /nfs/dbraw/zinc/76/87/02/1373768702.db2.gz CBQRZRVEJREKHF-FUHWJXTLSA-N 1 2 342.911 3.401 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)C(CC)CC)CC[C@@H]1C ZINC001131833701 1373828336 /nfs/dbraw/zinc/82/83/36/1373828336.db2.gz DLNFTMPAFDZPCB-JSGCOSHPSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)C(CC)CC)CC[C@@H]1C ZINC001131833701 1373828341 /nfs/dbraw/zinc/82/83/41/1373828341.db2.gz DLNFTMPAFDZPCB-JSGCOSHPSA-N 1 2 331.298 3.300 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001131973134 1375078486 /nfs/dbraw/zinc/07/84/86/1375078486.db2.gz YLTHASYIVYPCKD-NVXWUHKLSA-N 1 2 347.890 3.398 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001131973134 1375078489 /nfs/dbraw/zinc/07/84/89/1375078489.db2.gz YLTHASYIVYPCKD-NVXWUHKLSA-N 1 2 347.890 3.398 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001132002609 1375094247 /nfs/dbraw/zinc/09/42/47/1375094247.db2.gz LLXDTUMTLCIWFC-GDBMZVCRSA-N 1 2 333.863 3.008 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001132002609 1375094249 /nfs/dbraw/zinc/09/42/49/1375094249.db2.gz LLXDTUMTLCIWFC-GDBMZVCRSA-N 1 2 333.863 3.008 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(F)ccc2F)C1 ZINC001132018484 1375101542 /nfs/dbraw/zinc/10/15/42/1375101542.db2.gz XOEUJNSJMWTYMJ-RHSMWYFYSA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001132018484 1375101546 /nfs/dbraw/zinc/10/15/46/1375101546.db2.gz XOEUJNSJMWTYMJ-RHSMWYFYSA-N 1 2 334.410 3.093 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2nccs2)C1 ZINC001132079050 1375136028 /nfs/dbraw/zinc/13/60/28/1375136028.db2.gz SEXWEKZOPALKRF-DGCLKSJQSA-N 1 2 341.908 3.391 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2nccs2)C1 ZINC001132079050 1375136030 /nfs/dbraw/zinc/13/60/30/1375136030.db2.gz SEXWEKZOPALKRF-DGCLKSJQSA-N 1 2 341.908 3.391 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001132217638 1375215249 /nfs/dbraw/zinc/21/52/49/1375215249.db2.gz FDKYNHWLOYMLJG-GJZGRUSLSA-N 1 2 345.487 3.235 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2noc3c2CCCC3)C1 ZINC001132217638 1375215257 /nfs/dbraw/zinc/21/52/57/1375215257.db2.gz FDKYNHWLOYMLJG-GJZGRUSLSA-N 1 2 345.487 3.235 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001132228082 1375222912 /nfs/dbraw/zinc/22/29/12/1375222912.db2.gz LUNCDYIQLKZHCT-LSDHHAIUSA-N 1 2 345.487 3.235 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001132228082 1375222917 /nfs/dbraw/zinc/22/29/17/1375222917.db2.gz LUNCDYIQLKZHCT-LSDHHAIUSA-N 1 2 345.487 3.235 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2nccs2)C1 ZINC001132227523 1375223110 /nfs/dbraw/zinc/22/31/10/1375223110.db2.gz FHCKMABSXFVJKP-CVEARBPZSA-N 1 2 333.501 3.196 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2nccs2)C1 ZINC001132227523 1375223114 /nfs/dbraw/zinc/22/31/14/1375223114.db2.gz FHCKMABSXFVJKP-CVEARBPZSA-N 1 2 333.501 3.196 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001132228016 1375223561 /nfs/dbraw/zinc/22/35/61/1375223561.db2.gz KRFIPGQHOMGOIM-HOTGVXAUSA-N 1 2 332.492 3.145 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001132228016 1375223563 /nfs/dbraw/zinc/22/35/63/1375223563.db2.gz KRFIPGQHOMGOIM-HOTGVXAUSA-N 1 2 332.492 3.145 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2nc(C)cs2)C1 ZINC001132234842 1375229702 /nfs/dbraw/zinc/22/97/02/1375229702.db2.gz FVQZCSNWEIYRBN-JKSUJKDBSA-N 1 2 333.501 3.114 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2nc(C)cs2)C1 ZINC001132234842 1375229705 /nfs/dbraw/zinc/22/97/05/1375229705.db2.gz FVQZCSNWEIYRBN-JKSUJKDBSA-N 1 2 333.501 3.114 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(CCC)n1 ZINC001226474512 1375264697 /nfs/dbraw/zinc/26/46/97/1375264697.db2.gz NTEAWGSMYQXBIN-HUUCEWRRSA-N 1 2 348.491 3.141 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3ncc(C)o3)C2)CC1 ZINC001132291863 1375273235 /nfs/dbraw/zinc/27/32/35/1375273235.db2.gz MWRGLDKPGAGHGW-ZBFHGGJFSA-N 1 2 331.460 3.199 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3ncc(C)o3)C2)CC1 ZINC001132291863 1375273241 /nfs/dbraw/zinc/27/32/41/1375273241.db2.gz MWRGLDKPGAGHGW-ZBFHGGJFSA-N 1 2 331.460 3.199 20 30 EGEDLO C=CCCC(=O)NC1CC[NH+](Cc2csc(-c3ccco3)n2)CC1 ZINC001226519540 1375273727 /nfs/dbraw/zinc/27/37/27/1375273727.db2.gz ZWHVYIBECFKJGG-UHFFFAOYSA-N 1 2 345.468 3.450 20 30 EGEDLO C#C[C@H]1CCC[C@H]1Oc1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001226564421 1375283766 /nfs/dbraw/zinc/28/37/66/1375283766.db2.gz CTENRPWSQFUWLE-FXAWDEMLSA-N 1 2 333.435 3.216 20 30 EGEDLO C#C[C@H]1CCC[C@H]1Oc1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001226564421 1375283771 /nfs/dbraw/zinc/28/37/71/1375283771.db2.gz CTENRPWSQFUWLE-FXAWDEMLSA-N 1 2 333.435 3.216 20 30 EGEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(Cl)ccc3Br)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226870065 1375349867 /nfs/dbraw/zinc/34/98/67/1375349867.db2.gz CRLZLNLVIHNWTR-LSVRBPJHSA-N 1 2 344.636 3.094 20 30 EGEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(Cl)ccc3Br)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226870065 1375349868 /nfs/dbraw/zinc/34/98/68/1375349868.db2.gz CRLZLNLVIHNWTR-LSVRBPJHSA-N 1 2 344.636 3.094 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)COc2ccccc2C)CC[C@H]1C ZINC001132458862 1375402183 /nfs/dbraw/zinc/40/21/83/1375402183.db2.gz YNDNXLBSCMHOOM-HZPDHXFCSA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)COc2ccccc2C)CC[C@H]1C ZINC001132458862 1375402185 /nfs/dbraw/zinc/40/21/85/1375402185.db2.gz YNDNXLBSCMHOOM-HZPDHXFCSA-N 1 2 336.863 3.095 20 30 EGEDLO CC/C(C)=C\C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001227210102 1375406866 /nfs/dbraw/zinc/40/68/66/1375406866.db2.gz BILLIYDWFXBGMW-UVTDQMKNSA-N 1 2 329.419 3.134 20 30 EGEDLO CC(C)C#CC(=O)NC1CC[NH+](Cc2nc(C(C)(C)C)cs2)CC1 ZINC001227265455 1375413946 /nfs/dbraw/zinc/41/39/46/1375413946.db2.gz JBLZULIIFVSABA-UHFFFAOYSA-N 1 2 347.528 3.181 20 30 EGEDLO C=C(C)CCC(=O)NC1CC[NH+]([C@H](C)c2nc(CCCC)no2)CC1 ZINC001227607312 1375452982 /nfs/dbraw/zinc/45/29/82/1375452982.db2.gz OOEADQDYIDXJAF-OAHLLOKOSA-N 1 2 348.491 3.410 20 30 EGEDLO COc1ccc(F)c(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1F ZINC001227851846 1375482570 /nfs/dbraw/zinc/48/25/70/1375482570.db2.gz ZXNKGBOEXQYWRG-HNNXBMFYSA-N 1 2 344.361 3.498 20 30 EGEDLO COc1ccc(F)c(O[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1F ZINC001227851846 1375482573 /nfs/dbraw/zinc/48/25/73/1375482573.db2.gz ZXNKGBOEXQYWRG-HNNXBMFYSA-N 1 2 344.361 3.498 20 30 EGEDLO CCOC(=O)[C@@H](C#C[Si](C)(C)C)Oc1ccc2[nH]c(C)[nH+]c2c1 ZINC001228330066 1375549139 /nfs/dbraw/zinc/54/91/39/1375549139.db2.gz SYXREPYWTYZPOX-MRXNPFEDSA-N 1 2 330.460 3.063 20 30 EGEDLO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2cccc3c2C(=O)C=CC3=O)C1 ZINC001228473919 1375577430 /nfs/dbraw/zinc/57/74/30/1375577430.db2.gz ZLEDPUDYIXFYRU-LSDHHAIUSA-N 1 2 348.402 3.231 20 30 EGEDLO C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2cccc3c2C(=O)C=CC3=O)C1 ZINC001228473919 1375577438 /nfs/dbraw/zinc/57/74/38/1375577438.db2.gz ZLEDPUDYIXFYRU-LSDHHAIUSA-N 1 2 348.402 3.231 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2cc(Cl)cnc2F)C1 ZINC001228572328 1375602025 /nfs/dbraw/zinc/60/20/25/1375602025.db2.gz FZCSTYHQVMDJGO-OAHLLOKOSA-N 1 2 331.778 3.399 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2cc(Cl)cnc2F)C1 ZINC001228572328 1375602032 /nfs/dbraw/zinc/60/20/32/1375602032.db2.gz FZCSTYHQVMDJGO-OAHLLOKOSA-N 1 2 331.778 3.399 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC001228760827 1375668098 /nfs/dbraw/zinc/66/80/98/1375668098.db2.gz PGPFOBQDJCXXEG-LSDHHAIUSA-N 1 2 345.487 3.092 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C(C)C)o3)C[C@H]21 ZINC001188855333 1388392376 /nfs/dbraw/zinc/39/23/76/1388392376.db2.gz DNELZGBCVLLSJY-DLBZAZTESA-N 1 2 343.471 3.024 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C(C)C)o3)C[C@H]21 ZINC001188855333 1388392381 /nfs/dbraw/zinc/39/23/81/1388392381.db2.gz DNELZGBCVLLSJY-DLBZAZTESA-N 1 2 343.471 3.024 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CC(=C)Br)C[C@H]21 ZINC001188875958 1388396842 /nfs/dbraw/zinc/39/68/42/1388396842.db2.gz PZLYEZUPFQOIKT-VHDGCEQUSA-N 1 2 341.293 3.030 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](CC(=C)Br)C[C@H]21 ZINC001188875958 1388396848 /nfs/dbraw/zinc/39/68/48/1388396848.db2.gz PZLYEZUPFQOIKT-VHDGCEQUSA-N 1 2 341.293 3.030 20 30 EGEDLO C=CCC(C)(C)C(=O)NC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001229370173 1375820715 /nfs/dbraw/zinc/82/07/15/1375820715.db2.gz SLIIBAZXXDBUQP-UHFFFAOYSA-N 1 2 331.460 3.235 20 30 EGEDLO C=CCC1(C(=O)NC2CC[NH+](Cc3nccn3C)CC2)CCCCC1 ZINC001230332167 1375999054 /nfs/dbraw/zinc/99/90/54/1375999054.db2.gz VZPRCXKUCFVNDI-UHFFFAOYSA-N 1 2 344.503 3.027 20 30 EGEDLO CCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001230772432 1376147948 /nfs/dbraw/zinc/14/79/48/1376147948.db2.gz GUXRRHIGDGDDJI-IBGZPJMESA-N 1 2 330.447 3.290 20 30 EGEDLO CCCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001230772432 1376147949 /nfs/dbraw/zinc/14/79/49/1376147949.db2.gz GUXRRHIGDGDDJI-IBGZPJMESA-N 1 2 330.447 3.290 20 30 EGEDLO C=C(Cl)C[N@H+](CCCNC(=O)[C@@H]1CC12CCC2)Cc1cccnc1 ZINC001230861161 1376169425 /nfs/dbraw/zinc/16/94/25/1376169425.db2.gz BDVTXJLAIMDCHN-KRWDZBQOSA-N 1 2 347.890 3.333 20 30 EGEDLO C=C(Cl)C[N@@H+](CCCNC(=O)[C@@H]1CC12CCC2)Cc1cccnc1 ZINC001230861161 1376169429 /nfs/dbraw/zinc/16/94/29/1376169429.db2.gz BDVTXJLAIMDCHN-KRWDZBQOSA-N 1 2 347.890 3.333 20 30 EGEDLO CCC[C@@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC001231310947 1376226613 /nfs/dbraw/zinc/22/66/13/1376226613.db2.gz DVZHKPDFUZQREY-CRAIPNDOSA-N 1 2 343.471 3.036 20 30 EGEDLO CCC[C@@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(C#N)ccc1OC ZINC001231310947 1376226616 /nfs/dbraw/zinc/22/66/16/1376226616.db2.gz DVZHKPDFUZQREY-CRAIPNDOSA-N 1 2 343.471 3.036 20 30 EGEDLO CCC[C@@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001231313111 1376226972 /nfs/dbraw/zinc/22/69/72/1376226972.db2.gz VPXODQCITOLWGC-CRAIPNDOSA-N 1 2 343.471 3.036 20 30 EGEDLO CCC[C@@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001231313111 1376226980 /nfs/dbraw/zinc/22/69/80/1376226980.db2.gz VPXODQCITOLWGC-CRAIPNDOSA-N 1 2 343.471 3.036 20 30 EGEDLO CCC[C@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001231312633 1376227722 /nfs/dbraw/zinc/22/77/22/1376227722.db2.gz QZLGXHQFIXOQDI-YOEHRIQHSA-N 1 2 331.435 3.166 20 30 EGEDLO CCC[C@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001231312633 1376227726 /nfs/dbraw/zinc/22/77/26/1376227726.db2.gz QZLGXHQFIXOQDI-YOEHRIQHSA-N 1 2 331.435 3.166 20 30 EGEDLO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cccc(Cl)c3O)C2)C1=O ZINC001231910216 1376345735 /nfs/dbraw/zinc/34/57/35/1376345735.db2.gz LBNFOHVPPLUENM-SFHVURJKSA-N 1 2 334.847 3.046 20 30 EGEDLO C=CCN1CC[C@]2(CCC[N@H+](Cc3cccc(Cl)c3O)C2)C1=O ZINC001231910216 1376345742 /nfs/dbraw/zinc/34/57/42/1376345742.db2.gz LBNFOHVPPLUENM-SFHVURJKSA-N 1 2 334.847 3.046 20 30 EGEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC001231910769 1376346561 /nfs/dbraw/zinc/34/65/61/1376346561.db2.gz VZROPKRGYILGNZ-UHFFFAOYSA-N 1 2 334.847 3.189 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(Cl)c3O)CC2)cc1 ZINC001231911957 1376348038 /nfs/dbraw/zinc/34/80/38/1376348038.db2.gz QPVPBBYRTPFZAN-UHFFFAOYSA-N 1 2 327.815 3.239 20 30 EGEDLO CCOC[C@H]1Cn2nccc2C[N@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232114426 1376402267 /nfs/dbraw/zinc/40/22/67/1376402267.db2.gz IYVKHGHERDSLTG-OAHLLOKOSA-N 1 2 344.846 3.077 20 30 EGEDLO CCOC[C@H]1Cn2nccc2C[N@@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232114426 1376402271 /nfs/dbraw/zinc/40/22/71/1376402271.db2.gz IYVKHGHERDSLTG-OAHLLOKOSA-N 1 2 344.846 3.077 20 30 EGEDLO N#Cc1ccc(F)cc1C[NH+]1CCC2(CC1)OC(=O)c1ccccc12 ZINC001232892118 1376535694 /nfs/dbraw/zinc/53/56/94/1376535694.db2.gz ZVGQXDSGTNKBRL-UHFFFAOYSA-N 1 2 336.366 3.359 20 30 EGEDLO Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)c(C#N)c1 ZINC001232966563 1376550515 /nfs/dbraw/zinc/55/05/15/1376550515.db2.gz RZQOASDELXRVJO-ZWKOTPCHSA-N 1 2 337.448 3.308 20 30 EGEDLO Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)c(C#N)c1 ZINC001232966563 1376550520 /nfs/dbraw/zinc/55/05/20/1376550520.db2.gz RZQOASDELXRVJO-ZWKOTPCHSA-N 1 2 337.448 3.308 20 30 EGEDLO N#Cc1cc[nH]c1C[NH+]1CCC(c2nnc(-c3ccccc3)o2)CC1 ZINC001233043522 1376560361 /nfs/dbraw/zinc/56/03/61/1376560361.db2.gz DTORKMKYPSUCLQ-UHFFFAOYSA-N 1 2 333.395 3.316 20 30 EGEDLO CCCC[C@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001234049393 1376759796 /nfs/dbraw/zinc/75/97/96/1376759796.db2.gz HKKIVALDQCJWIA-GJZGRUSLSA-N 1 2 333.501 3.479 20 30 EGEDLO CCCC[C@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001234049393 1376759799 /nfs/dbraw/zinc/75/97/99/1376759799.db2.gz HKKIVALDQCJWIA-GJZGRUSLSA-N 1 2 333.501 3.479 20 30 EGEDLO CC/C(C)=C\C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001234129983 1376772593 /nfs/dbraw/zinc/77/25/93/1376772593.db2.gz LICPVVIULWPRTL-DZXKJOIRSA-N 1 2 329.419 3.086 20 30 EGEDLO CC/C(C)=C\C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001234129983 1376772596 /nfs/dbraw/zinc/77/25/96/1376772596.db2.gz LICPVVIULWPRTL-DZXKJOIRSA-N 1 2 329.419 3.086 20 30 EGEDLO CC/C(C)=C/C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001234132748 1376774254 /nfs/dbraw/zinc/77/42/54/1376774254.db2.gz WLWZKVZILGDEOB-ZGUWOUCSSA-N 1 2 329.419 3.086 20 30 EGEDLO CC/C(C)=C/C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001234132748 1376774258 /nfs/dbraw/zinc/77/42/58/1376774258.db2.gz WLWZKVZILGDEOB-ZGUWOUCSSA-N 1 2 329.419 3.086 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1Cl)C(=O)C#CC(C)(C)C ZINC001234194714 1376784304 /nfs/dbraw/zinc/78/43/04/1376784304.db2.gz GDQYFGGBYUOXNC-MRXNPFEDSA-N 1 2 332.875 3.422 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1Cl)C(=O)C#CC(C)(C)C ZINC001234194714 1376784307 /nfs/dbraw/zinc/78/43/07/1376784307.db2.gz GDQYFGGBYUOXNC-MRXNPFEDSA-N 1 2 332.875 3.422 20 30 EGEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3nc(C4CC4)cs3)C2)CC1 ZINC001249526649 1377074406 /nfs/dbraw/zinc/07/44/06/1377074406.db2.gz QZEURYZAMQIHNF-UHFFFAOYSA-N 1 2 347.484 3.241 20 30 EGEDLO CC(C)(C)OC(=O)N1CCC2(CCC([NH+]3CC(C#N)C3)CC2)CC1 ZINC001254792898 1377108535 /nfs/dbraw/zinc/10/85/35/1377108535.db2.gz JEZMLFFVFCMUIS-UHFFFAOYSA-N 1 2 333.476 3.402 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)Cc1cc(F)ccc1F ZINC001266854018 1377395415 /nfs/dbraw/zinc/39/54/15/1377395415.db2.gz YGRNARIGNGLUCF-OAHLLOKOSA-N 1 2 342.817 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1cc(F)ccc1F ZINC001266854018 1377395420 /nfs/dbraw/zinc/39/54/20/1377395420.db2.gz YGRNARIGNGLUCF-OAHLLOKOSA-N 1 2 342.817 3.231 20 30 EGEDLO N#Cc1ccc(CNC(=O)c2c[nH+]ccc2Nc2ccccc2)cc1 ZINC001136895434 1377437832 /nfs/dbraw/zinc/43/78/32/1377437832.db2.gz AHGOJQQSKPGUKJ-UHFFFAOYSA-N 1 2 328.375 3.049 20 30 EGEDLO COc1ccc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)cn1 ZINC001137039716 1377463595 /nfs/dbraw/zinc/46/35/95/1377463595.db2.gz JWLXYTXIQBGJPY-UHFFFAOYSA-N 1 2 325.387 3.287 20 30 EGEDLO C[N@H+](CCC#N)Cc1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2 ZINC001137442972 1377548897 /nfs/dbraw/zinc/54/88/97/1377548897.db2.gz XQHFPACWODAHHC-UHFFFAOYSA-N 1 2 329.444 3.325 20 30 EGEDLO C[N@@H+](CCC#N)Cc1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2 ZINC001137442972 1377548898 /nfs/dbraw/zinc/54/88/98/1377548898.db2.gz XQHFPACWODAHHC-UHFFFAOYSA-N 1 2 329.444 3.325 20 30 EGEDLO COc1ccc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c(C#N)c1 ZINC001137698056 1377597069 /nfs/dbraw/zinc/59/70/69/1377597069.db2.gz HVAROORWWJGLFB-UHFFFAOYSA-N 1 2 345.443 3.056 20 30 EGEDLO CCN(CC)c1ncc(C[N@@H+]2CCc3ccc(C#N)cc3C2)s1 ZINC001138798314 1377786856 /nfs/dbraw/zinc/78/68/56/1377786856.db2.gz GTWWIWZDSOLVLK-UHFFFAOYSA-N 1 2 326.469 3.419 20 30 EGEDLO CCN(CC)c1ncc(C[N@H+]2CCc3ccc(C#N)cc3C2)s1 ZINC001138798314 1377786857 /nfs/dbraw/zinc/78/68/57/1377786857.db2.gz GTWWIWZDSOLVLK-UHFFFAOYSA-N 1 2 326.469 3.419 20 30 EGEDLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ccc(Oc3ccc(C#N)cc3)nc1)C2 ZINC001139427877 1377883652 /nfs/dbraw/zinc/88/36/52/1377883652.db2.gz VPDIHDGHVVFJFX-PXNSSMCTSA-N 1 2 335.407 3.499 20 30 EGEDLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1ccc(Oc3ccc(C#N)cc3)nc1)C2 ZINC001139427877 1377883655 /nfs/dbraw/zinc/88/36/55/1377883655.db2.gz VPDIHDGHVVFJFX-PXNSSMCTSA-N 1 2 335.407 3.499 20 30 EGEDLO C=CCN1CC[NH+](Cc2cc3ccc(Br)cc3[nH]2)CC1 ZINC001139475203 1377891584 /nfs/dbraw/zinc/89/15/84/1377891584.db2.gz ZLCGEWLRJLDWJN-UHFFFAOYSA-N 1 2 334.261 3.234 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccnc(Cl)c1F)C2 ZINC001139663556 1377929651 /nfs/dbraw/zinc/92/96/51/1377929651.db2.gz NWXLOAMJDJINDS-YOEHRIQHSA-N 1 2 340.826 3.200 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccnc(Cl)c1F)C2 ZINC001139663556 1377929654 /nfs/dbraw/zinc/92/96/54/1377929654.db2.gz NWXLOAMJDJINDS-YOEHRIQHSA-N 1 2 340.826 3.200 20 30 EGEDLO C=CCn1cc(C[N@@H+]2CCc3cc(OCC)c(OCC)cc3C2)cn1 ZINC001139771195 1377948480 /nfs/dbraw/zinc/94/84/80/1377948480.db2.gz RTZZCWKAMFNXNH-UHFFFAOYSA-N 1 2 341.455 3.425 20 30 EGEDLO C=CCn1cc(C[N@H+]2CCc3cc(OCC)c(OCC)cc3C2)cn1 ZINC001139771195 1377948485 /nfs/dbraw/zinc/94/84/85/1377948485.db2.gz RTZZCWKAMFNXNH-UHFFFAOYSA-N 1 2 341.455 3.425 20 30 EGEDLO C=CCOC(=O)N1CC[NH+](Cc2c[nH]c3ccc(OCC)cc23)CC1 ZINC001140275676 1378039062 /nfs/dbraw/zinc/03/90/62/1378039062.db2.gz YBFRWXURDHVUTG-UHFFFAOYSA-N 1 2 343.427 3.007 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(F)cc(F)cc1F)C2 ZINC001140532753 1378080741 /nfs/dbraw/zinc/08/07/41/1378080741.db2.gz UKUCPYZESDVFRZ-KBXCAEBGSA-N 1 2 341.373 3.430 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c(F)cc(F)cc1F)C2 ZINC001140532753 1378080745 /nfs/dbraw/zinc/08/07/45/1378080745.db2.gz UKUCPYZESDVFRZ-KBXCAEBGSA-N 1 2 341.373 3.430 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(Cl)ncc1F)C2 ZINC001140607767 1378096637 /nfs/dbraw/zinc/09/66/37/1378096637.db2.gz VNZJXBLNYFIFBT-WMLDXEAASA-N 1 2 340.826 3.200 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(Cl)ncc1F)C2 ZINC001140607767 1378096638 /nfs/dbraw/zinc/09/66/38/1378096638.db2.gz VNZJXBLNYFIFBT-WMLDXEAASA-N 1 2 340.826 3.200 20 30 EGEDLO CC(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C#N)c(Cl)c2)C1=O ZINC001274492490 1378128450 /nfs/dbraw/zinc/12/84/50/1378128450.db2.gz NCQRGCKIQATUAU-IBGZPJMESA-N 1 2 345.874 3.435 20 30 EGEDLO CC(C)CN1CC[C@@]2(CCC[N@H+]2Cc2ccc(C#N)c(Cl)c2)C1=O ZINC001274492490 1378128452 /nfs/dbraw/zinc/12/84/52/1378128452.db2.gz NCQRGCKIQATUAU-IBGZPJMESA-N 1 2 345.874 3.435 20 30 EGEDLO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1cnc(CCCC)[nH]1)C2 ZINC001141069062 1378229923 /nfs/dbraw/zinc/22/99/23/1378229923.db2.gz UKUFODLEYFGFOL-HXUWFJFHSA-N 1 2 344.503 3.285 20 30 EGEDLO C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1cnc(CCCC)[nH]1)C2 ZINC001141069062 1378229926 /nfs/dbraw/zinc/22/99/26/1378229926.db2.gz UKUFODLEYFGFOL-HXUWFJFHSA-N 1 2 344.503 3.285 20 30 EGEDLO COc1ccccc1O[C@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC001141165094 1378256549 /nfs/dbraw/zinc/25/65/49/1378256549.db2.gz UGAMCDDCDSLBSQ-KRWDZBQOSA-N 1 2 326.371 3.359 20 30 EGEDLO COc1ccccc1O[C@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC001141165094 1378256554 /nfs/dbraw/zinc/25/65/54/1378256554.db2.gz UGAMCDDCDSLBSQ-KRWDZBQOSA-N 1 2 326.371 3.359 20 30 EGEDLO N#Cc1ccc(Oc2ccc(C[NH+]3CC(N4CC(F)C4)C3)cc2)cc1 ZINC001141289605 1378292376 /nfs/dbraw/zinc/29/23/76/1378292376.db2.gz LGEFDADORCEOKK-UHFFFAOYSA-N 1 2 337.398 3.188 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@](F)(CO)CC1 ZINC001141807358 1378380451 /nfs/dbraw/zinc/38/04/51/1378380451.db2.gz DNOJRUPSZMFIAF-HNNXBMFYSA-N 1 2 341.224 3.007 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@](F)(CO)CC1 ZINC001141807358 1378380456 /nfs/dbraw/zinc/38/04/56/1378380456.db2.gz DNOJRUPSZMFIAF-HNNXBMFYSA-N 1 2 341.224 3.007 20 30 EGEDLO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001141911058 1378393200 /nfs/dbraw/zinc/39/32/00/1378393200.db2.gz AGXLIGSGHLWHPW-UHFFFAOYSA-N 1 2 348.381 3.192 20 30 EGEDLO CCC(=O)N(CC)C1CC[NH+](Cc2c(F)ccc(C#N)c2F)CC1 ZINC001143175666 1378554842 /nfs/dbraw/zinc/55/48/42/1378554842.db2.gz FHLYPUHYRJMOJD-UHFFFAOYSA-N 1 2 335.398 3.059 20 30 EGEDLO COc1c(F)cccc1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001143533166 1378610248 /nfs/dbraw/zinc/61/02/48/1378610248.db2.gz QIAFZBWGUNYCPQ-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO CC(C)(C)C(=O)NC1CC[NH+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143732884 1378639939 /nfs/dbraw/zinc/63/99/39/1378639939.db2.gz WELPJLRNFBAWOC-UHFFFAOYSA-N 1 2 333.863 3.338 20 30 EGEDLO C#Cc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)CC23CC3)cc1 ZINC001144568297 1378745698 /nfs/dbraw/zinc/74/56/98/1378745698.db2.gz POGKMAFTRXSIOB-UHFFFAOYSA-N 1 2 326.440 3.253 20 30 EGEDLO C#Cc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)CC23CC3)cc1 ZINC001144568297 1378745699 /nfs/dbraw/zinc/74/56/99/1378745699.db2.gz POGKMAFTRXSIOB-UHFFFAOYSA-N 1 2 326.440 3.253 20 30 EGEDLO COc1ccc(Br)c(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)n1 ZINC001144610235 1378750772 /nfs/dbraw/zinc/75/07/72/1378750772.db2.gz SKRBQCPAAUQLPL-CNDDSTCGSA-N 1 2 336.233 3.119 20 30 EGEDLO COc1ccc(Br)c(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)n1 ZINC001144610235 1378750773 /nfs/dbraw/zinc/75/07/73/1378750773.db2.gz SKRBQCPAAUQLPL-CNDDSTCGSA-N 1 2 336.233 3.119 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1coc(C3CC3)n1)C2 ZINC001148095984 1379117171 /nfs/dbraw/zinc/11/71/71/1379117171.db2.gz SHOGFEGPZQGSRA-CABCVRRESA-N 1 2 343.471 3.045 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1coc(C3CC3)n1)C2 ZINC001148095984 1379117177 /nfs/dbraw/zinc/11/71/77/1379117177.db2.gz SHOGFEGPZQGSRA-CABCVRRESA-N 1 2 343.471 3.045 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](C/C(Cl)=C\Cl)C2 ZINC001148131430 1379122504 /nfs/dbraw/zinc/12/25/04/1379122504.db2.gz STHOZSJBDXHDPY-JGWKKKPCSA-N 1 2 331.287 3.442 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C/Cl)C2 ZINC001148131428 1379122524 /nfs/dbraw/zinc/12/25/24/1379122524.db2.gz STHOZSJBDXHDPY-IAOKNECISA-N 1 2 331.287 3.442 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](C/C(Cl)=C/Cl)C2 ZINC001148131428 1379122525 /nfs/dbraw/zinc/12/25/25/1379122525.db2.gz STHOZSJBDXHDPY-IAOKNECISA-N 1 2 331.287 3.442 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C\Cl)C2 ZINC001148131430 1379122503 /nfs/dbraw/zinc/12/25/03/1379122503.db2.gz STHOZSJBDXHDPY-JGWKKKPCSA-N 1 2 331.287 3.442 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1coc(C3CC3)n1)C2 ZINC001148129758 1379122657 /nfs/dbraw/zinc/12/26/57/1379122657.db2.gz INSTZYHPESYVEY-OAHLLOKOSA-N 1 2 343.471 3.189 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1coc(C3CC3)n1)C2 ZINC001148129758 1379122659 /nfs/dbraw/zinc/12/26/59/1379122659.db2.gz INSTZYHPESYVEY-OAHLLOKOSA-N 1 2 343.471 3.189 20 30 EGEDLO C=CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1csc(CC)n1)C2 ZINC001148180791 1379128910 /nfs/dbraw/zinc/12/89/10/1379128910.db2.gz AXMIMPRJTJQFNT-UHFFFAOYSA-N 1 2 333.501 3.096 20 30 EGEDLO C=CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1csc(CC)n1)C2 ZINC001148180791 1379128912 /nfs/dbraw/zinc/12/89/12/1379128912.db2.gz AXMIMPRJTJQFNT-UHFFFAOYSA-N 1 2 333.501 3.096 20 30 EGEDLO C=CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1cnc(Cl)s1)C2 ZINC001148193887 1379131494 /nfs/dbraw/zinc/13/14/94/1379131494.db2.gz MCGYSUQTQZQUOB-UHFFFAOYSA-N 1 2 339.892 3.187 20 30 EGEDLO C=CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1cnc(Cl)s1)C2 ZINC001148193887 1379131496 /nfs/dbraw/zinc/13/14/96/1379131496.db2.gz MCGYSUQTQZQUOB-UHFFFAOYSA-N 1 2 339.892 3.187 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)CC[C@H](C)CC)C2)C1 ZINC001148486009 1379185383 /nfs/dbraw/zinc/18/53/83/1379185383.db2.gz XKWYIUGYMUJCNJ-CYBMUJFWSA-N 1 2 343.309 3.256 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)CC[C@H](C)CC)C2)C1 ZINC001148486009 1379185385 /nfs/dbraw/zinc/18/53/85/1379185385.db2.gz XKWYIUGYMUJCNJ-CYBMUJFWSA-N 1 2 343.309 3.256 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)[C@H](CC)CCC)C2)C1 ZINC001148507980 1379196952 /nfs/dbraw/zinc/19/69/52/1379196952.db2.gz VOYQOCBKEVMNGP-CQSZACIVSA-N 1 2 343.309 3.256 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)[C@H](CC)CCC)C2)C1 ZINC001148507980 1379196946 /nfs/dbraw/zinc/19/69/46/1379196946.db2.gz VOYQOCBKEVMNGP-CQSZACIVSA-N 1 2 343.309 3.256 20 30 EGEDLO C=CC[C@H](Cc1ccccc1)C(=O)NCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC001151922525 1379815542 /nfs/dbraw/zinc/81/55/42/1379815542.db2.gz AVRRWROUVVEPTO-FUHWJXTLSA-N 1 2 341.455 3.185 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C1CC(C)(C)C1 ZINC001153096572 1380019909 /nfs/dbraw/zinc/01/99/09/1380019909.db2.gz LUVSSXVCZPGRRE-CQSZACIVSA-N 1 2 345.462 3.460 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C1CC(C)(C)C1 ZINC001153096572 1380019913 /nfs/dbraw/zinc/01/99/13/1380019913.db2.gz LUVSSXVCZPGRRE-CQSZACIVSA-N 1 2 345.462 3.460 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H](C)[N@H+](CC)Cc2csc(C)n2)cc1 ZINC001154577722 1380308804 /nfs/dbraw/zinc/30/88/04/1380308804.db2.gz NZWPEBAAIHCVAX-CQSZACIVSA-N 1 2 341.480 3.073 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2csc(C)n2)cc1 ZINC001154577722 1380308805 /nfs/dbraw/zinc/30/88/05/1380308805.db2.gz NZWPEBAAIHCVAX-CQSZACIVSA-N 1 2 341.480 3.073 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1coc(C2CC2)n1 ZINC001154742919 1380343897 /nfs/dbraw/zinc/34/38/97/1380343897.db2.gz OIOQFGKVPIXYFK-HUUCEWRRSA-N 1 2 333.476 3.481 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1coc(C2CC2)n1 ZINC001154742919 1380343898 /nfs/dbraw/zinc/34/38/98/1380343898.db2.gz OIOQFGKVPIXYFK-HUUCEWRRSA-N 1 2 333.476 3.481 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1nc2c(o1)CCCC2 ZINC001154743060 1380343957 /nfs/dbraw/zinc/34/39/57/1380343957.db2.gz RVWKQUQWVMIYIJ-HZPDHXFCSA-N 1 2 347.503 3.482 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc2c(o1)CCCC2 ZINC001154743060 1380343958 /nfs/dbraw/zinc/34/39/58/1380343958.db2.gz RVWKQUQWVMIYIJ-HZPDHXFCSA-N 1 2 347.503 3.482 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1nccn1C(F)F ZINC001155489948 1380459765 /nfs/dbraw/zinc/45/97/65/1380459765.db2.gz PXAHJKCKGSPWCH-CYBMUJFWSA-N 1 2 342.434 3.207 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nccn1C(F)F ZINC001155489948 1380459766 /nfs/dbraw/zinc/45/97/66/1380459766.db2.gz PXAHJKCKGSPWCH-CYBMUJFWSA-N 1 2 342.434 3.207 20 30 EGEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1ccc(-c2ccnc(Cl)c2)cc1 ZINC001156320642 1380558119 /nfs/dbraw/zinc/55/81/19/1380558119.db2.gz BONZQFFNXNZCIM-HNNXBMFYSA-N 1 2 348.784 3.249 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2nccn2CC)CCCC1 ZINC001157364078 1380853556 /nfs/dbraw/zinc/85/35/56/1380853556.db2.gz DMOFWXRJCBUMSX-QGZVFWFLSA-N 1 2 346.519 3.366 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2nccn2CC)CCCC1 ZINC001157364078 1380853573 /nfs/dbraw/zinc/85/35/73/1380853573.db2.gz DMOFWXRJCBUMSX-QGZVFWFLSA-N 1 2 346.519 3.366 20 30 EGEDLO C#CCCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1csc(C)n1 ZINC001157857557 1381052476 /nfs/dbraw/zinc/05/24/76/1381052476.db2.gz ZDKKHGZTFCQBMG-GOSISDBHSA-N 1 2 347.528 3.458 20 30 EGEDLO C#CCCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1csc(C)n1 ZINC001157857557 1381052481 /nfs/dbraw/zinc/05/24/81/1381052481.db2.gz ZDKKHGZTFCQBMG-GOSISDBHSA-N 1 2 347.528 3.458 20 30 EGEDLO CC(C)C#CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccncc1Cl ZINC001157940050 1381076496 /nfs/dbraw/zinc/07/64/96/1381076496.db2.gz QUYBGZHXXZJRCZ-QGZVFWFLSA-N 1 2 347.890 3.207 20 30 EGEDLO CC(C)C#CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccncc1Cl ZINC001157940050 1381076501 /nfs/dbraw/zinc/07/65/01/1381076501.db2.gz QUYBGZHXXZJRCZ-QGZVFWFLSA-N 1 2 347.890 3.207 20 30 EGEDLO N#Cc1cc(C(F)(F)NCCc2cn3ccccc3[nH+]2)cc(Cl)n1 ZINC001158145456 1381140408 /nfs/dbraw/zinc/14/04/08/1381140408.db2.gz OLLKBPBCWSJDBQ-UHFFFAOYSA-N 1 2 347.756 3.136 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cc(C)on1 ZINC001158364049 1381219272 /nfs/dbraw/zinc/21/92/72/1381219272.db2.gz PAKYNCCKFRVIKT-MAUKXSAKSA-N 1 2 333.476 3.398 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cc(C)on1 ZINC001158364049 1381219273 /nfs/dbraw/zinc/21/92/73/1381219273.db2.gz PAKYNCCKFRVIKT-MAUKXSAKSA-N 1 2 333.476 3.398 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(C)o1 ZINC001158369470 1381220406 /nfs/dbraw/zinc/22/04/06/1381220406.db2.gz GEMWTTJJLRDYQO-NVXWUHKLSA-N 1 2 333.476 3.398 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(C)o1 ZINC001158369470 1381220411 /nfs/dbraw/zinc/22/04/11/1381220411.db2.gz GEMWTTJJLRDYQO-NVXWUHKLSA-N 1 2 333.476 3.398 20 30 EGEDLO N#Cc1cc(F)c(Cl)nc1N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001158625892 1381329161 /nfs/dbraw/zinc/32/91/61/1381329161.db2.gz VOYFOVNOSWTKAY-LBPRGKRZSA-N 1 2 344.768 3.056 20 30 EGEDLO N#CCc1cnc(N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c(Cl)c1 ZINC001158627541 1381329476 /nfs/dbraw/zinc/32/94/76/1381329476.db2.gz GGCMIQOAJLBEIR-AWEZNQCLSA-N 1 2 340.805 3.111 20 30 EGEDLO C#C[C@@](C)(CC)Nc1cc(N2CCN(c3ccccc3)CC2)nc[nH+]1 ZINC001158742784 1381379367 /nfs/dbraw/zinc/37/93/67/1381379367.db2.gz LBLYIYIYLPRVPA-FQEVSTJZSA-N 1 2 335.455 3.017 20 30 EGEDLO C#C[C@@](C)(CC)Nc1cc(N2CCN(c3ccccc3)CC2)[nH+]cn1 ZINC001158742784 1381379373 /nfs/dbraw/zinc/37/93/73/1381379373.db2.gz LBLYIYIYLPRVPA-FQEVSTJZSA-N 1 2 335.455 3.017 20 30 EGEDLO C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)C(F)C(F)(F)F)CC1 ZINC001160196718 1382030805 /nfs/dbraw/zinc/03/08/05/1382030805.db2.gz XNAIJALZDFQKRB-TZMCWYRMSA-N 1 2 336.373 3.380 20 30 EGEDLO C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)C(F)C(F)(F)F)CC1 ZINC001160196718 1382030812 /nfs/dbraw/zinc/03/08/12/1382030812.db2.gz XNAIJALZDFQKRB-TZMCWYRMSA-N 1 2 336.373 3.380 20 30 EGEDLO C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001160196718 1382030819 /nfs/dbraw/zinc/03/08/19/1382030819.db2.gz XNAIJALZDFQKRB-TZMCWYRMSA-N 1 2 336.373 3.380 20 30 EGEDLO C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001160196718 1382030822 /nfs/dbraw/zinc/03/08/22/1382030822.db2.gz XNAIJALZDFQKRB-TZMCWYRMSA-N 1 2 336.373 3.380 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@H+](Cc2cscn2)CC1 ZINC001161121187 1382307736 /nfs/dbraw/zinc/30/77/36/1382307736.db2.gz AZTRLIZTAXSBMS-GOSISDBHSA-N 1 2 333.501 3.384 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@@H+](Cc2cscn2)CC1 ZINC001161121187 1382307741 /nfs/dbraw/zinc/30/77/41/1382307741.db2.gz AZTRLIZTAXSBMS-GOSISDBHSA-N 1 2 333.501 3.384 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1=CC[N@H+](Cc2cscn2)CC1 ZINC001161343758 1382376694 /nfs/dbraw/zinc/37/66/94/1382376694.db2.gz SBXIEKATKTWNSN-UHFFFAOYSA-N 1 2 333.501 3.384 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2cscn2)CC1 ZINC001161343758 1382376699 /nfs/dbraw/zinc/37/66/99/1382376699.db2.gz SBXIEKATKTWNSN-UHFFFAOYSA-N 1 2 333.501 3.384 20 30 EGEDLO C[N@H+](Cc1cscn1)Cc1cccc(Nc2ccnc(C#N)c2)c1 ZINC001162537518 1382783507 /nfs/dbraw/zinc/78/35/07/1382783507.db2.gz TZWIGQDXVJTNLC-UHFFFAOYSA-N 1 2 335.436 3.207 20 30 EGEDLO C[N@@H+](Cc1cscn1)Cc1cccc(Nc2ccnc(C#N)c2)c1 ZINC001162537518 1382783512 /nfs/dbraw/zinc/78/35/12/1382783512.db2.gz TZWIGQDXVJTNLC-UHFFFAOYSA-N 1 2 335.436 3.207 20 30 EGEDLO N#Cc1ccc(NCCN(Cc2ccccc2)c2cccc[nH+]2)nc1 ZINC001164084057 1383154544 /nfs/dbraw/zinc/15/45/44/1383154544.db2.gz BYGQDHOLNLYGBD-UHFFFAOYSA-N 1 2 329.407 3.467 20 30 EGEDLO N#Cc1nc(Cl)ccc1C(F)(F)N1CCC(n2cc[nH+]c2)CC1 ZINC001165160295 1383239268 /nfs/dbraw/zinc/23/92/68/1383239268.db2.gz TYBNWXYPPKCXDQ-UHFFFAOYSA-N 1 2 337.761 3.190 20 30 EGEDLO N#Cc1ccc2cc[nH+]c(N3CC[C@@H](O)[C@@H]3Cc3ccccc3)c2c1 ZINC001165896391 1383360445 /nfs/dbraw/zinc/36/04/45/1383360445.db2.gz CBXRUZSWWNEENA-VQTJNVASSA-N 1 2 329.403 3.289 20 30 EGEDLO COC(=O)C[C@H](c1cc[nH+]c(N2CCC[C@H](CC#N)C2)c1)C1CC1 ZINC001166741926 1383469133 /nfs/dbraw/zinc/46/91/33/1383469133.db2.gz UVSPUSZRYBAFGB-PBHICJAKSA-N 1 2 327.428 3.268 20 30 EGEDLO Cc1cc(Cl)c(C)c(N2CCCN(c3ccc(C#N)cn3)CC2)[nH+]1 ZINC001166841365 1383485642 /nfs/dbraw/zinc/48/56/42/1383485642.db2.gz OYVVKGWLCNHPRM-UHFFFAOYSA-N 1 2 341.846 3.335 20 30 EGEDLO CC(C)(C)c1ccc(N2CCCN(c3ccc(C#N)cn3)CC2)[nH+]c1 ZINC001166842786 1383486209 /nfs/dbraw/zinc/48/62/09/1383486209.db2.gz SRYMHDRIOOECGD-UHFFFAOYSA-N 1 2 335.455 3.362 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1(C[NH2+]CC(F)(F)C(F)F)CC1 ZINC001167018496 1383519918 /nfs/dbraw/zinc/51/99/18/1383519918.db2.gz LFHZGNVVHBWURG-CQSZACIVSA-N 1 2 338.389 3.365 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1(C[NH2+]Cc2noc(CCC)n2)CC1 ZINC001167026202 1383522583 /nfs/dbraw/zinc/52/25/83/1383522583.db2.gz VAZULNDOWKCBQS-SFHVURJKSA-N 1 2 348.491 3.001 20 30 EGEDLO COC(=O)[C@H](CS)Nc1ccc2[nH]c(-c3ccccc3)[nH+]c2c1 ZINC001167623212 1383691327 /nfs/dbraw/zinc/69/13/27/1383691327.db2.gz ICKCOUORNWHABN-HNNXBMFYSA-N 1 2 327.409 3.113 20 30 EGEDLO CC(C)(S)CNc1c2[nH+]ccn2ccc1I ZINC001170304995 1384287397 /nfs/dbraw/zinc/28/73/97/1384287397.db2.gz HEQGULPXGYFLRJ-UHFFFAOYSA-N 1 2 347.225 3.059 20 30 EGEDLO CCC(CC)CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001316609814 1384479283 /nfs/dbraw/zinc/47/92/83/1384479283.db2.gz YFQDURWAROGJEE-OAHLLOKOSA-N 1 2 333.501 3.479 20 30 EGEDLO CCC(CC)CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001316609814 1384479288 /nfs/dbraw/zinc/47/92/88/1384479288.db2.gz YFQDURWAROGJEE-OAHLLOKOSA-N 1 2 333.501 3.479 20 30 EGEDLO O=C1C=C2C[N@H+]([C@H]3CCc4cc(F)c(F)c(F)c4C3)CC[C@@H]2S1 ZINC001171534058 1384554829 /nfs/dbraw/zinc/55/48/29/1384554829.db2.gz DKMSDVYRQYSBLU-FZMZJTMJSA-N 1 2 339.382 3.235 20 30 EGEDLO O=C1C=C2C[N@@H+]([C@H]3CCc4cc(F)c(F)c(F)c4C3)CC[C@@H]2S1 ZINC001171534058 1384554832 /nfs/dbraw/zinc/55/48/32/1384554832.db2.gz DKMSDVYRQYSBLU-FZMZJTMJSA-N 1 2 339.382 3.235 20 30 EGEDLO C[C@H](Cc1ccc(C#N)cc1)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001172313220 1384767522 /nfs/dbraw/zinc/76/75/22/1384767522.db2.gz RWJNXECGISJFRW-QAPCUYQASA-N 1 2 333.426 3.295 20 30 EGEDLO C=CCOC1CCC([N@@H+]2CCn3cc(C(F)(F)F)nc3C2)CC1 ZINC001173327239 1384959162 /nfs/dbraw/zinc/95/91/62/1384959162.db2.gz KLHBAFYBIDVKTK-UHFFFAOYSA-N 1 2 329.366 3.231 20 30 EGEDLO C=CCOC1CCC([N@H+]2CCn3cc(C(F)(F)F)nc3C2)CC1 ZINC001173327239 1384959165 /nfs/dbraw/zinc/95/91/65/1384959165.db2.gz KLHBAFYBIDVKTK-UHFFFAOYSA-N 1 2 329.366 3.231 20 30 EGEDLO CCOC(=O)C1([NH2+]C2CCC(CC#N)CC2)Cc2ccccc2C1 ZINC001173329565 1384960252 /nfs/dbraw/zinc/96/02/52/1384960252.db2.gz HKXBYDFNRCQGJU-UHFFFAOYSA-N 1 2 326.440 3.149 20 30 EGEDLO C[N@H+](CCNC(=O)C1CCCCCC1)Cc1ccc(C#N)cc1F ZINC001317440911 1385143033 /nfs/dbraw/zinc/14/30/33/1385143033.db2.gz UFDVYTKEIBJDFH-UHFFFAOYSA-N 1 2 331.435 3.216 20 30 EGEDLO C[N@@H+](CCNC(=O)C1CCCCCC1)Cc1ccc(C#N)cc1F ZINC001317440911 1385143034 /nfs/dbraw/zinc/14/30/34/1385143034.db2.gz UFDVYTKEIBJDFH-UHFFFAOYSA-N 1 2 331.435 3.216 20 30 EGEDLO N#Cc1ncc(Br)cc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175346363 1385260084 /nfs/dbraw/zinc/26/00/84/1385260084.db2.gz QOYHRTWTPBIDEB-UHFFFAOYSA-N 1 2 344.216 3.455 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001317943564 1385579084 /nfs/dbraw/zinc/57/90/84/1385579084.db2.gz NRNAZBBAOGHNJQ-GDBMZVCRSA-N 1 2 335.879 3.418 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001317943564 1385579088 /nfs/dbraw/zinc/57/90/88/1385579088.db2.gz NRNAZBBAOGHNJQ-GDBMZVCRSA-N 1 2 335.879 3.418 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001317979677 1385596780 /nfs/dbraw/zinc/59/67/80/1385596780.db2.gz UGAWLDMFSGYNAR-KRWDZBQOSA-N 1 2 347.890 3.399 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001317979677 1385596783 /nfs/dbraw/zinc/59/67/83/1385596783.db2.gz UGAWLDMFSGYNAR-KRWDZBQOSA-N 1 2 347.890 3.399 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)CC2CCCC2)C1 ZINC001318454863 1385700728 /nfs/dbraw/zinc/70/07/28/1385700728.db2.gz XMJPZIOJAAFZPB-OAHLLOKOSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)CC2CCCC2)C1 ZINC001318454863 1385700729 /nfs/dbraw/zinc/70/07/29/1385700729.db2.gz XMJPZIOJAAFZPB-OAHLLOKOSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)CC2CCCC2)C1 ZINC001318454862 1385701052 /nfs/dbraw/zinc/70/10/52/1385701052.db2.gz XMJPZIOJAAFZPB-HNNXBMFYSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)CC2CCCC2)C1 ZINC001318454862 1385701055 /nfs/dbraw/zinc/70/10/55/1385701055.db2.gz XMJPZIOJAAFZPB-HNNXBMFYSA-N 1 2 343.309 3.398 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@@H+](Cc3ccc(C)c(C)c3)[C@@H]2C1 ZINC001176955402 1385753344 /nfs/dbraw/zinc/75/33/44/1385753344.db2.gz SMFOUNLAQBMZIT-WOJBJXKFSA-N 1 2 342.483 3.071 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@H+](Cc3ccc(C)c(C)c3)[C@@H]2C1 ZINC001176955402 1385753360 /nfs/dbraw/zinc/75/33/60/1385753360.db2.gz SMFOUNLAQBMZIT-WOJBJXKFSA-N 1 2 342.483 3.071 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@@H+](Cc3cccc(CC)c3)[C@@H]2C1 ZINC001176955404 1385754145 /nfs/dbraw/zinc/75/41/45/1385754145.db2.gz SNAFTIOWNOKMJS-UXHICEINSA-N 1 2 342.483 3.017 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@H+](Cc3cccc(CC)c3)[C@@H]2C1 ZINC001176955404 1385754146 /nfs/dbraw/zinc/75/41/46/1385754146.db2.gz SNAFTIOWNOKMJS-UXHICEINSA-N 1 2 342.483 3.017 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]3OCC[N@@H+](CC=C(C)C)[C@@H]3C2)CCC1 ZINC001177101308 1385812822 /nfs/dbraw/zinc/81/28/22/1385812822.db2.gz LFAFLDQGNIVIGE-MSOLQXFVSA-N 1 2 332.488 3.001 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]3OCC[N@H+](CC=C(C)C)[C@@H]3C2)CCC1 ZINC001177101308 1385812826 /nfs/dbraw/zinc/81/28/26/1385812826.db2.gz LFAFLDQGNIVIGE-MSOLQXFVSA-N 1 2 332.488 3.001 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H]3OCC[N@@H+](CC=C(C)C)[C@H]3C2)CC1 ZINC001177102539 1385813570 /nfs/dbraw/zinc/81/35/70/1385813570.db2.gz XKRIIMGWDUDFED-ROUUACIJSA-N 1 2 332.488 3.001 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H]3OCC[N@H+](CC=C(C)C)[C@H]3C2)CC1 ZINC001177102539 1385813575 /nfs/dbraw/zinc/81/35/75/1385813575.db2.gz XKRIIMGWDUDFED-ROUUACIJSA-N 1 2 332.488 3.001 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)CC(C)(C)C)C[C@H]21 ZINC001177150196 1385835067 /nfs/dbraw/zinc/83/50/67/1385835067.db2.gz JEJMMNWKBJSNLY-IAGOWNOFSA-N 1 2 336.520 3.327 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)CC(C)(C)C)C[C@H]21 ZINC001177150196 1385835069 /nfs/dbraw/zinc/83/50/69/1385835069.db2.gz JEJMMNWKBJSNLY-IAGOWNOFSA-N 1 2 336.520 3.327 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]3OCC[N@@H+](CC=C(C)C)[C@@H]3C2)CCCC1 ZINC001177161689 1385840204 /nfs/dbraw/zinc/84/02/04/1385840204.db2.gz FQWIWTVIUDMVAW-RTBURBONSA-N 1 2 346.515 3.391 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]3OCC[N@H+](CC=C(C)C)[C@@H]3C2)CCCC1 ZINC001177161689 1385840208 /nfs/dbraw/zinc/84/02/08/1385840208.db2.gz FQWIWTVIUDMVAW-RTBURBONSA-N 1 2 346.515 3.391 20 30 EGEDLO C#CC[N@@H+](CC(=O)c1cc(C)n(CC(F)(F)F)c1C)CC1CC1 ZINC001319445991 1386125922 /nfs/dbraw/zinc/12/59/22/1386125922.db2.gz FRIHGGKDJNSVPZ-UHFFFAOYSA-N 1 2 326.362 3.195 20 30 EGEDLO C#CC[N@H+](CC(=O)c1cc(C)n(CC(F)(F)F)c1C)CC1CC1 ZINC001319445991 1386125925 /nfs/dbraw/zinc/12/59/25/1386125925.db2.gz FRIHGGKDJNSVPZ-UHFFFAOYSA-N 1 2 326.362 3.195 20 30 EGEDLO O=C(NCCCCCC[NH2+]CCC(F)(F)F)C(F)C(F)(F)F ZINC001178535857 1386243310 /nfs/dbraw/zinc/24/33/10/1386243310.db2.gz MROBRTJTJSREGS-VIFPVBQESA-N 1 2 340.283 3.105 20 30 EGEDLO O=C(NCCCCCC[NH2+]CCC(F)(F)F)[C@H](F)C(F)(F)F ZINC001178535857 1386243314 /nfs/dbraw/zinc/24/33/14/1386243314.db2.gz MROBRTJTJSREGS-VIFPVBQESA-N 1 2 340.283 3.105 20 30 EGEDLO C#CCOc1cccc(-c2noc(C[N@@H+](C)Cc3ccccc3)n2)c1 ZINC001321098208 1386809228 /nfs/dbraw/zinc/80/92/28/1386809228.db2.gz ARTCELUZORKXJI-UHFFFAOYSA-N 1 2 333.391 3.381 20 30 EGEDLO C#CCOc1cccc(-c2noc(C[N@H+](C)Cc3ccccc3)n2)c1 ZINC001321098208 1386809235 /nfs/dbraw/zinc/80/92/35/1386809235.db2.gz ARTCELUZORKXJI-UHFFFAOYSA-N 1 2 333.391 3.381 20 30 EGEDLO C[C@H](c1ccccc1)N(C(=O)Cc1cc[nH+]c(N)c1)C1=CC(=O)CCC1 ZINC001181257837 1386967767 /nfs/dbraw/zinc/96/77/67/1386967767.db2.gz WYOHEWKXCKNCNW-OAHLLOKOSA-N 1 2 349.434 3.433 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)c1ccccc1OC ZINC001322315512 1387156757 /nfs/dbraw/zinc/15/67/57/1387156757.db2.gz UTBIZLKOEAJNAC-CQSZACIVSA-N 1 2 338.879 3.162 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)c1ccccc1OC ZINC001322315512 1387156760 /nfs/dbraw/zinc/15/67/60/1387156760.db2.gz UTBIZLKOEAJNAC-CQSZACIVSA-N 1 2 338.879 3.162 20 30 EGEDLO C#CC(C)(C)C(=O)N1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1 ZINC001182637187 1387199687 /nfs/dbraw/zinc/19/96/87/1387199687.db2.gz XIEFRWDAAUSBIM-UHFFFAOYSA-N 1 2 326.484 3.288 20 30 EGEDLO CCC(CC)C(=O)N[C@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001329968309 1389275364 /nfs/dbraw/zinc/27/53/64/1389275364.db2.gz CWKZZBHBZYKFQK-CYBMUJFWSA-N 1 2 331.435 3.070 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(CCC#N)CCC(C)C ZINC001338897086 1389810756 /nfs/dbraw/zinc/81/07/56/1389810756.db2.gz ZZTQUGMOTBLXIB-QGZVFWFLSA-N 1 2 344.507 3.387 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N(CCC#N)CCC(C)C ZINC001338897086 1389810761 /nfs/dbraw/zinc/81/07/61/1389810761.db2.gz ZZTQUGMOTBLXIB-QGZVFWFLSA-N 1 2 344.507 3.387 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001342071531 1390567828 /nfs/dbraw/zinc/56/78/28/1390567828.db2.gz LSASYYZFMNGXRW-HZPDHXFCSA-N 1 2 341.459 3.208 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001342071531 1390567831 /nfs/dbraw/zinc/56/78/31/1390567831.db2.gz LSASYYZFMNGXRW-HZPDHXFCSA-N 1 2 341.459 3.208 20 30 EGEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H](C(C)C)CC1 ZINC001342415903 1390610563 /nfs/dbraw/zinc/61/05/63/1390610563.db2.gz NJSHOCHXZABOEW-INIZCTEOSA-N 1 2 342.491 3.051 20 30 EGEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)CC1CCCCC1 ZINC001342540873 1390624021 /nfs/dbraw/zinc/62/40/21/1390624021.db2.gz BSEFQPFZCVWHBM-UHFFFAOYSA-N 1 2 342.491 3.195 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]Cc2cccc3ccoc32)C1 ZINC001344070633 1390753562 /nfs/dbraw/zinc/75/35/62/1390753562.db2.gz VLVSYLHLVBQLLI-JKSUJKDBSA-N 1 2 341.411 3.281 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCOc2c(C)cccc2C)C1 ZINC001479954910 1392492299 /nfs/dbraw/zinc/49/22/99/1392492299.db2.gz AZIHXVMZYQCJHW-INIZCTEOSA-N 1 2 336.863 3.015 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCOc2c(C)cccc2C)C1 ZINC001479954910 1392492301 /nfs/dbraw/zinc/49/23/01/1392492301.db2.gz AZIHXVMZYQCJHW-INIZCTEOSA-N 1 2 336.863 3.015 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccc(C)nc1C1CC1)C1CC1 ZINC001481180032 1393142757 /nfs/dbraw/zinc/14/27/57/1393142757.db2.gz JQDJFKWMVYTMOH-UHFFFAOYSA-N 1 2 333.863 3.214 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccc(C)nc1C1CC1)C1CC1 ZINC001481180032 1393142758 /nfs/dbraw/zinc/14/27/58/1393142758.db2.gz JQDJFKWMVYTMOH-UHFFFAOYSA-N 1 2 333.863 3.214 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc3[nH]c(C)nc32)C1 ZINC001481503494 1394350312 /nfs/dbraw/zinc/35/03/12/1394350312.db2.gz FGUICZBNDSYBKA-AWEZNQCLSA-N 1 2 346.862 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc3[nH]c(C)nc32)C1 ZINC001481503494 1394350317 /nfs/dbraw/zinc/35/03/17/1394350317.db2.gz FGUICZBNDSYBKA-AWEZNQCLSA-N 1 2 346.862 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)COc2cccc(Cl)c2)C1 ZINC001484069705 1395232383 /nfs/dbraw/zinc/23/23/83/1395232383.db2.gz NINVKDDLBUZIEK-MRXNPFEDSA-N 1 2 343.254 3.052 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)COc2cccc(Cl)c2)C1 ZINC001484069705 1395232385 /nfs/dbraw/zinc/23/23/85/1395232385.db2.gz NINVKDDLBUZIEK-MRXNPFEDSA-N 1 2 343.254 3.052 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCc1cc(F)ccc1F ZINC001485388657 1395877261 /nfs/dbraw/zinc/87/72/61/1395877261.db2.gz OLHDEPQVWHFNGL-LBPRGKRZSA-N 1 2 330.806 3.086 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCc1cc(F)ccc1F ZINC001485388657 1395877268 /nfs/dbraw/zinc/87/72/68/1395877268.db2.gz OLHDEPQVWHFNGL-LBPRGKRZSA-N 1 2 330.806 3.086 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCCc2ccccn2)[C@@H]1C ZINC001486184568 1396180817 /nfs/dbraw/zinc/18/08/17/1396180817.db2.gz WHXNYBYRGLVWLB-RDJZCZTQSA-N 1 2 335.879 3.126 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCCc2ccccn2)[C@@H]1C ZINC001486184568 1396180818 /nfs/dbraw/zinc/18/08/18/1396180818.db2.gz WHXNYBYRGLVWLB-RDJZCZTQSA-N 1 2 335.879 3.126 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)CCCC(F)(F)F ZINC001690454577 1404582475 /nfs/dbraw/zinc/58/24/75/1404582475.db2.gz IFJOSAIWYHQHRV-LBPRGKRZSA-N 1 2 326.790 3.442 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)CCCC(F)(F)F ZINC001690454577 1404582478 /nfs/dbraw/zinc/58/24/78/1404582478.db2.gz IFJOSAIWYHQHRV-LBPRGKRZSA-N 1 2 326.790 3.442 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc(C)c2ccccc21 ZINC001691099659 1405037690 /nfs/dbraw/zinc/03/76/90/1405037690.db2.gz DZKMZGSDHNJEGN-MRXNPFEDSA-N 1 2 345.874 3.283 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc(C)c2ccccc21 ZINC001691099659 1405037696 /nfs/dbraw/zinc/03/76/96/1405037696.db2.gz DZKMZGSDHNJEGN-MRXNPFEDSA-N 1 2 345.874 3.283 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cnc2ccc(F)cc2c1)C1CC1 ZINC001691232845 1405172297 /nfs/dbraw/zinc/17/22/97/1405172297.db2.gz NTFGOYVFMWRJTJ-UHFFFAOYSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cnc2ccc(F)cc2c1)C1CC1 ZINC001691232845 1405172300 /nfs/dbraw/zinc/17/23/00/1405172300.db2.gz NTFGOYVFMWRJTJ-UHFFFAOYSA-N 1 2 347.821 3.321 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)C(C)(C)C1CC1 ZINC001691653426 1405386335 /nfs/dbraw/zinc/38/63/35/1405386335.db2.gz WFLHXIPKHZRABO-SFHVURJKSA-N 1 2 325.456 3.027 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)C(C)(C)C1CC1 ZINC001691653426 1405386338 /nfs/dbraw/zinc/38/63/38/1405386338.db2.gz WFLHXIPKHZRABO-SFHVURJKSA-N 1 2 325.456 3.027 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)CCC1(C)CC1 ZINC001691670191 1405402990 /nfs/dbraw/zinc/40/29/90/1405402990.db2.gz IYELKWQRGBGTSR-KRWDZBQOSA-N 1 2 343.446 3.310 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)CCC1(C)CC1 ZINC001691670191 1405402992 /nfs/dbraw/zinc/40/29/92/1405402992.db2.gz IYELKWQRGBGTSR-KRWDZBQOSA-N 1 2 343.446 3.310 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2ccc3cc[nH]c3n2)C1 ZINC001691853340 1405568652 /nfs/dbraw/zinc/56/86/52/1405568652.db2.gz UZMKGBVWEBYJBK-OAHLLOKOSA-N 1 2 346.862 3.242 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccc3cc[nH]c3n2)C1 ZINC001691853340 1405568656 /nfs/dbraw/zinc/56/86/56/1405568656.db2.gz UZMKGBVWEBYJBK-OAHLLOKOSA-N 1 2 346.862 3.242 20 30 EGEDLO C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001732153990 1428397602 /nfs/dbraw/zinc/39/76/02/1428397602.db2.gz FULHBFQTVQMVRF-UKRRQHHQSA-N 1 2 334.410 3.266 20 30 EGEDLO C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001732153990 1428397606 /nfs/dbraw/zinc/39/76/06/1428397606.db2.gz FULHBFQTVQMVRF-UKRRQHHQSA-N 1 2 334.410 3.266 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)c1cccc(F)c1 ZINC001700474995 1414099700 /nfs/dbraw/zinc/09/97/00/1414099700.db2.gz UYRNGYXZBKMHOM-ZDUSSCGKSA-N 1 2 326.843 3.292 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)c1cccc(F)c1 ZINC001700474995 1414099709 /nfs/dbraw/zinc/09/97/09/1414099709.db2.gz UYRNGYXZBKMHOM-ZDUSSCGKSA-N 1 2 326.843 3.292 20 30 EGEDLO CCCC1(C(=O)N[C@@H](C)C2C[NH+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001700542250 1414209568 /nfs/dbraw/zinc/20/95/68/1414209568.db2.gz BUOPKXBQQPUGPM-AWEZNQCLSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cnc2ccccc2c1C ZINC001732585957 1428798618 /nfs/dbraw/zinc/79/86/18/1428798618.db2.gz AUTAGNWXJKCZOE-UHFFFAOYSA-N 1 2 331.847 3.300 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cnc2ccccc2c1C ZINC001732585957 1428798622 /nfs/dbraw/zinc/79/86/22/1428798622.db2.gz AUTAGNWXJKCZOE-UHFFFAOYSA-N 1 2 331.847 3.300 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC001713059877 1417615094 /nfs/dbraw/zinc/61/50/94/1417615094.db2.gz OXALGJPCGAWNJQ-HOCLYGCPSA-N 1 2 334.410 3.410 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC001713059877 1417615099 /nfs/dbraw/zinc/61/50/99/1417615099.db2.gz OXALGJPCGAWNJQ-HOCLYGCPSA-N 1 2 334.410 3.410 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnn(C2CCCC2)c1C ZINC001713495781 1418202943 /nfs/dbraw/zinc/20/29/43/1418202943.db2.gz ALAHXWVQLDZVLT-UHFFFAOYSA-N 1 2 338.883 3.111 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnn(C2CCCC2)c1C ZINC001713495781 1418202946 /nfs/dbraw/zinc/20/29/46/1418202946.db2.gz ALAHXWVQLDZVLT-UHFFFAOYSA-N 1 2 338.883 3.111 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C(C)(C)c1ccccc1OC ZINC001713498452 1418212380 /nfs/dbraw/zinc/21/23/80/1418212380.db2.gz VIDUZQZBNKQKLQ-UHFFFAOYSA-N 1 2 338.879 3.163 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C(C)(C)c1ccccc1OC ZINC001713498452 1418212383 /nfs/dbraw/zinc/21/23/83/1418212383.db2.gz VIDUZQZBNKQKLQ-UHFFFAOYSA-N 1 2 338.879 3.163 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)CCC(C)C)CC1 ZINC001713780409 1418595973 /nfs/dbraw/zinc/59/59/73/1418595973.db2.gz BICLVWZCLQUFSP-UHFFFAOYSA-N 1 2 331.298 3.254 20 30 EGEDLO CCC[C@H](C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001713788223 1418605568 /nfs/dbraw/zinc/60/55/68/1418605568.db2.gz QKMJKGNTKXRLTJ-LPHOPBHVSA-N 1 2 327.472 3.465 20 30 EGEDLO CCC[C@H](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001713788223 1418605570 /nfs/dbraw/zinc/60/55/70/1418605570.db2.gz QKMJKGNTKXRLTJ-LPHOPBHVSA-N 1 2 327.472 3.465 20 30 EGEDLO CC(C)C[C@@H](C)CC(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001713922407 1418715683 /nfs/dbraw/zinc/71/56/83/1418715683.db2.gz HIAZHHIAEWYYGL-MRXNPFEDSA-N 1 2 327.472 3.179 20 30 EGEDLO C[C@H](C(=O)NCC[N@H+](C)Cc1ccccc1C#N)c1cccc(F)c1 ZINC001714573130 1419307237 /nfs/dbraw/zinc/30/72/37/1419307237.db2.gz RMQDYCUUCIHPGD-HNNXBMFYSA-N 1 2 339.414 3.049 20 30 EGEDLO C[C@H](C(=O)NCC[N@@H+](C)Cc1ccccc1C#N)c1cccc(F)c1 ZINC001714573130 1419307242 /nfs/dbraw/zinc/30/72/42/1419307242.db2.gz RMQDYCUUCIHPGD-HNNXBMFYSA-N 1 2 339.414 3.049 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cccc(F)c1Cl)C1CC1 ZINC001714673285 1419464544 /nfs/dbraw/zinc/46/45/44/1419464544.db2.gz LXQOCZQQOQUCJW-UHFFFAOYSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cccc(F)c1Cl)C1CC1 ZINC001714673285 1419464545 /nfs/dbraw/zinc/46/45/45/1419464545.db2.gz LXQOCZQQOQUCJW-UHFFFAOYSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cccc3nccn32)C1 ZINC001714855896 1419572161 /nfs/dbraw/zinc/57/21/61/1419572161.db2.gz MRVXSKBUXPGGDM-OAHLLOKOSA-N 1 2 346.862 3.013 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cccc3nccn32)C1 ZINC001714855896 1419572163 /nfs/dbraw/zinc/57/21/63/1419572163.db2.gz MRVXSKBUXPGGDM-OAHLLOKOSA-N 1 2 346.862 3.013 20 30 EGEDLO C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)c1cccc2nc(C)[nH]c21)C1CC1 ZINC001715117101 1419861862 /nfs/dbraw/zinc/86/18/62/1419861862.db2.gz AMICJVKQRNAVQC-GOSISDBHSA-N 1 2 346.862 3.112 20 30 EGEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@H]1CCCC1(C)C ZINC001715918940 1420397481 /nfs/dbraw/zinc/39/74/81/1420397481.db2.gz LAYCSXXWIMLBQD-QGZVFWFLSA-N 1 2 345.462 3.414 20 30 EGEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@H]1CCCC1(C)C ZINC001715918940 1420397486 /nfs/dbraw/zinc/39/74/86/1420397486.db2.gz LAYCSXXWIMLBQD-QGZVFWFLSA-N 1 2 345.462 3.414 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCOc1c(C)cccc1C ZINC001717474795 1421408174 /nfs/dbraw/zinc/40/81/74/1421408174.db2.gz UFGHIRZRLAKNMX-INIZCTEOSA-N 1 2 338.879 3.261 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCOc1c(C)cccc1C ZINC001717474795 1421408175 /nfs/dbraw/zinc/40/81/75/1421408175.db2.gz UFGHIRZRLAKNMX-INIZCTEOSA-N 1 2 338.879 3.261 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCOc1c(C)cccc1C ZINC001717474796 1421408684 /nfs/dbraw/zinc/40/86/84/1421408684.db2.gz UFGHIRZRLAKNMX-MRXNPFEDSA-N 1 2 338.879 3.261 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCOc1c(C)cccc1C ZINC001717474796 1421408685 /nfs/dbraw/zinc/40/86/85/1421408685.db2.gz UFGHIRZRLAKNMX-MRXNPFEDSA-N 1 2 338.879 3.261 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1scnc1C(C)(C)C ZINC001725189396 1425729484 /nfs/dbraw/zinc/72/94/84/1425729484.db2.gz KLGXRLWOJYRMQB-LLVKDONJSA-N 1 2 329.897 3.243 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1scnc1C(C)(C)C ZINC001725189396 1425729487 /nfs/dbraw/zinc/72/94/87/1425729487.db2.gz KLGXRLWOJYRMQB-LLVKDONJSA-N 1 2 329.897 3.243 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cnn(C2CCCC2)c1C ZINC001725190152 1425733160 /nfs/dbraw/zinc/73/31/60/1425733160.db2.gz WXQPXJGTQKPRKK-CYBMUJFWSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cnn(C2CCCC2)c1C ZINC001725190152 1425733166 /nfs/dbraw/zinc/73/31/66/1425733166.db2.gz WXQPXJGTQKPRKK-CYBMUJFWSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H](NC(=O)CCC2CC2)[C@@H]1C ZINC001725648489 1426331212 /nfs/dbraw/zinc/33/12/12/1426331212.db2.gz YXCBMRDLPMVYGM-JSGCOSHPSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)CCC2CC2)[C@@H]1C ZINC001725648489 1426331217 /nfs/dbraw/zinc/33/12/17/1426331217.db2.gz YXCBMRDLPMVYGM-JSGCOSHPSA-N 1 2 329.282 3.054 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C4CC4)no3)C2)CCCC1 ZINC001731380909 1427317653 /nfs/dbraw/zinc/31/76/53/1427317653.db2.gz VGVUCXGWMTVHAC-MRXNPFEDSA-N 1 2 343.471 3.379 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C4CC4)no3)C2)CCCC1 ZINC001731380909 1427317656 /nfs/dbraw/zinc/31/76/56/1427317656.db2.gz VGVUCXGWMTVHAC-MRXNPFEDSA-N 1 2 343.471 3.379 20 30 EGEDLO Cc1cccc(C(=O)NCC[N@H+](Cc2ccccc2C#N)C2CC2)c1 ZINC001731873175 1428132929 /nfs/dbraw/zinc/13/29/29/1428132929.db2.gz XQILHSYUSCFMTP-UHFFFAOYSA-N 1 2 333.435 3.261 20 30 EGEDLO Cc1cccc(C(=O)NCC[N@@H+](Cc2ccccc2C#N)C2CC2)c1 ZINC001731873175 1428132930 /nfs/dbraw/zinc/13/29/30/1428132930.db2.gz XQILHSYUSCFMTP-UHFFFAOYSA-N 1 2 333.435 3.261 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cc2c(s1)CCCC2 ZINC001734061789 1437856032 /nfs/dbraw/zinc/85/60/32/1437856032.db2.gz BEKITTWSJVIECH-GFCCVEGCSA-N 1 2 326.893 3.430 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@@H]2C[N@H+](Cc3nnc(C)s3)CC[C@H]21 ZINC001752707779 1440202964 /nfs/dbraw/zinc/20/29/64/1440202964.db2.gz PMUBHFQMQQBEHX-HZPDHXFCSA-N 1 2 348.516 3.016 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@@H]2C[N@@H+](Cc3nnc(C)s3)CC[C@H]21 ZINC001752707779 1440202965 /nfs/dbraw/zinc/20/29/65/1440202965.db2.gz PMUBHFQMQQBEHX-HZPDHXFCSA-N 1 2 348.516 3.016 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1F ZINC001752816082 1440218139 /nfs/dbraw/zinc/21/81/39/1440218139.db2.gz KYAMJELDAZGGCA-SWLSCSKDSA-N 1 2 337.826 3.109 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1F ZINC001752816082 1440218140 /nfs/dbraw/zinc/21/81/40/1440218140.db2.gz KYAMJELDAZGGCA-SWLSCSKDSA-N 1 2 337.826 3.109 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H](C)[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC001752906301 1440244360 /nfs/dbraw/zinc/24/43/60/1440244360.db2.gz JWOFVWQNPVEJHC-OLZOCXBDSA-N 1 2 336.480 3.125 20 30 EGEDLO Cc1cc(C)cc(C(=O)NCC[N@@H+](C)Cc2ccc(C#N)cc2F)c1 ZINC001753071947 1440288911 /nfs/dbraw/zinc/28/89/11/1440288911.db2.gz GHWUMPSEBZOQQB-UHFFFAOYSA-N 1 2 339.414 3.176 20 30 EGEDLO Cc1cc(C)cc(C(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2F)c1 ZINC001753071947 1440288912 /nfs/dbraw/zinc/28/89/12/1440288912.db2.gz GHWUMPSEBZOQQB-UHFFFAOYSA-N 1 2 339.414 3.176 20 30 EGEDLO C#CCCCCC(=O)NC[C@H]1CCC[N@H+]1Cc1ncc(C(C)C)o1 ZINC001753101789 1440304565 /nfs/dbraw/zinc/30/45/65/1440304565.db2.gz XQNWBSODYSCKCC-MRXNPFEDSA-N 1 2 331.460 3.072 20 30 EGEDLO C#CCCCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ncc(C(C)C)o1 ZINC001753101789 1440304566 /nfs/dbraw/zinc/30/45/66/1440304566.db2.gz XQNWBSODYSCKCC-MRXNPFEDSA-N 1 2 331.460 3.072 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)CC[C@H](C)CC ZINC001753113031 1440309625 /nfs/dbraw/zinc/30/96/25/1440309625.db2.gz GDXGIDSRMBCTGS-TZMCWYRMSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@H](C)CC ZINC001753113031 1440309626 /nfs/dbraw/zinc/30/96/26/1440309626.db2.gz GDXGIDSRMBCTGS-TZMCWYRMSA-N 1 2 331.298 3.302 20 30 EGEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)C1CCCCC1)C1CC1 ZINC001753152124 1440328678 /nfs/dbraw/zinc/32/86/78/1440328678.db2.gz YNPDLVYLYNZOMH-UHFFFAOYSA-N 1 2 325.456 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@H+](CCNC(=O)C1CCCCC1)C1CC1 ZINC001753152124 1440328679 /nfs/dbraw/zinc/32/86/79/1440328679.db2.gz YNPDLVYLYNZOMH-UHFFFAOYSA-N 1 2 325.456 3.219 20 30 EGEDLO C=CCCC(=O)N(CCC)[C@@H]1CC[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001753314170 1440358549 /nfs/dbraw/zinc/35/85/49/1440358549.db2.gz DJPPOTBOGBEJNE-GOSISDBHSA-N 1 2 332.492 3.243 20 30 EGEDLO C=CCCC(=O)N(CCC)[C@@H]1CC[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001753314170 1440358550 /nfs/dbraw/zinc/35/85/50/1440358550.db2.gz DJPPOTBOGBEJNE-GOSISDBHSA-N 1 2 332.492 3.243 20 30 EGEDLO CN(C(=O)/C=C\C(C)(C)C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001753432355 1440398840 /nfs/dbraw/zinc/39/88/40/1440398840.db2.gz PRHNJPWOVFPQLT-YPLUBFQTSA-N 1 2 343.446 3.332 20 30 EGEDLO CN(C(=O)/C=C\C(C)(C)C)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001753432355 1440398841 /nfs/dbraw/zinc/39/88/41/1440398841.db2.gz PRHNJPWOVFPQLT-YPLUBFQTSA-N 1 2 343.446 3.332 20 30 EGEDLO CC#CCCCC(=O)N(C)[C@H]1CC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC001753441852 1440402113 /nfs/dbraw/zinc/40/21/13/1440402113.db2.gz QBFPBEXKAOMLIR-KRWDZBQOSA-N 1 2 345.512 3.247 20 30 EGEDLO CC#CCCCC(=O)N(C)[C@H]1CC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC001753441852 1440402114 /nfs/dbraw/zinc/40/21/14/1440402114.db2.gz QBFPBEXKAOMLIR-KRWDZBQOSA-N 1 2 345.512 3.247 20 30 EGEDLO C=CCCCC(=O)N(CC)[C@H]1CC[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001753458431 1440409288 /nfs/dbraw/zinc/40/92/88/1440409288.db2.gz DSUGMZHOIQXWCT-SFHVURJKSA-N 1 2 332.492 3.243 20 30 EGEDLO C=CCCCC(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001753458431 1440409289 /nfs/dbraw/zinc/40/92/89/1440409289.db2.gz DSUGMZHOIQXWCT-SFHVURJKSA-N 1 2 332.492 3.243 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](CC)[NH2+][C@@H](C)c2nc(C)no2)CCCC1 ZINC001753497674 1440422279 /nfs/dbraw/zinc/42/22/79/1440422279.db2.gz JCLMPLVHWDOWFS-DZGCQCFKSA-N 1 2 334.464 3.060 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@H]1C[N@H+](C/C=C/c2ccccc2)CCO1 ZINC001753652237 1440456758 /nfs/dbraw/zinc/45/67/58/1440456758.db2.gz CZCWNIFZIRTCHF-YGQKLEOUSA-N 1 2 342.483 3.119 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@H]1C[N@@H+](C/C=C/c2ccccc2)CCO1 ZINC001753652237 1440456759 /nfs/dbraw/zinc/45/67/59/1440456759.db2.gz CZCWNIFZIRTCHF-YGQKLEOUSA-N 1 2 342.483 3.119 20 30 EGEDLO Cc1nc(C[N@@H+](C)C[C@H](C)NC(=O)C#CC(C)C)sc1C(C)(C)C ZINC001754309510 1440572636 /nfs/dbraw/zinc/57/26/36/1440572636.db2.gz AYTTUKNXQHGINL-AWEZNQCLSA-N 1 2 349.544 3.345 20 30 EGEDLO Cc1nc(C[N@H+](C)C[C@H](C)NC(=O)C#CC(C)C)sc1C(C)(C)C ZINC001754309510 1440572637 /nfs/dbraw/zinc/57/26/37/1440572637.db2.gz AYTTUKNXQHGINL-AWEZNQCLSA-N 1 2 349.544 3.345 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H](C)C[N@H+](C)Cc1cc(-c2ccco2)on1 ZINC001754323336 1440579360 /nfs/dbraw/zinc/57/93/60/1440579360.db2.gz PBUVRKSEKQVPOQ-LIRRHRJNSA-N 1 2 345.443 3.473 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(-c2ccco2)on1 ZINC001754323336 1440579361 /nfs/dbraw/zinc/57/93/61/1440579361.db2.gz PBUVRKSEKQVPOQ-LIRRHRJNSA-N 1 2 345.443 3.473 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(Cl)cc(OC)c1 ZINC001754329323 1440582499 /nfs/dbraw/zinc/58/24/99/1440582499.db2.gz ZJLZPHHXIIPSRS-LLVKDONJSA-N 1 2 331.243 3.151 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(Cl)cc(OC)c1 ZINC001754329323 1440582500 /nfs/dbraw/zinc/58/25/00/1440582500.db2.gz ZJLZPHHXIIPSRS-LLVKDONJSA-N 1 2 331.243 3.151 20 30 EGEDLO N#CC[N@H+](CC1CC1)C1CCN(C(=O)c2ccc(Cl)c(F)c2)CC1 ZINC001754549187 1440629358 /nfs/dbraw/zinc/62/93/58/1440629358.db2.gz VNHVUYBYVVPXQL-UHFFFAOYSA-N 1 2 349.837 3.319 20 30 EGEDLO N#CC[N@@H+](CC1CC1)C1CCN(C(=O)c2ccc(Cl)c(F)c2)CC1 ZINC001754549187 1440629359 /nfs/dbraw/zinc/62/93/59/1440629359.db2.gz VNHVUYBYVVPXQL-UHFFFAOYSA-N 1 2 349.837 3.319 20 30 EGEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2cc3cc(C)c(C)cc3o2)C1 ZINC001754585299 1440639541 /nfs/dbraw/zinc/63/95/41/1440639541.db2.gz UIQMGIRGCYKBAQ-UHFFFAOYSA-N 1 2 342.439 3.008 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[C@H]1C[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001754615250 1440644322 /nfs/dbraw/zinc/64/43/22/1440644322.db2.gz HIDIOQONVBRPOM-CABCVRRESA-N 1 2 348.491 3.050 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1ccc(F)cc1 ZINC001755032656 1440732450 /nfs/dbraw/zinc/73/24/50/1440732450.db2.gz UAGXGFMUOHTJNB-UHFFFAOYSA-N 1 2 343.240 3.128 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1ccc(F)cc1 ZINC001755032656 1440732451 /nfs/dbraw/zinc/73/24/51/1440732451.db2.gz UAGXGFMUOHTJNB-UHFFFAOYSA-N 1 2 343.240 3.128 20 30 EGEDLO C=CCCC(=O)NCc1cccc2c1CC[N@@H+](Cc1ncc(C)o1)C2 ZINC001754975078 1440719803 /nfs/dbraw/zinc/71/98/03/1440719803.db2.gz WRPPUYLZLVUYQN-UHFFFAOYSA-N 1 2 339.439 3.124 20 30 EGEDLO C=CCCC(=O)NCc1cccc2c1CC[N@H+](Cc1ncc(C)o1)C2 ZINC001754975078 1440719804 /nfs/dbraw/zinc/71/98/04/1440719804.db2.gz WRPPUYLZLVUYQN-UHFFFAOYSA-N 1 2 339.439 3.124 20 30 EGEDLO CC(C)c1cnc(C[N@H+](C)CCCN(C)C(=O)C#CC(C)(C)C)o1 ZINC001755037074 1440734899 /nfs/dbraw/zinc/73/48/99/1440734899.db2.gz OBKRNVJNOMTWGT-UHFFFAOYSA-N 1 2 333.476 3.128 20 30 EGEDLO CC(C)c1cnc(C[N@@H+](C)CCCN(C)C(=O)C#CC(C)(C)C)o1 ZINC001755037074 1440734900 /nfs/dbraw/zinc/73/49/00/1440734900.db2.gz OBKRNVJNOMTWGT-UHFFFAOYSA-N 1 2 333.476 3.128 20 30 EGEDLO C=CCCCC(=O)N[C@H]1COC2(C[NH+](Cc3cccc(CC)c3)C2)C1 ZINC001755062791 1440744663 /nfs/dbraw/zinc/74/46/63/1440744663.db2.gz CLYOXTDRXSYUMS-LJQANCHMSA-N 1 2 342.483 3.065 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H](CCC)C(C)C ZINC001755075291 1440748511 /nfs/dbraw/zinc/74/85/11/1440748511.db2.gz DFXDBQCPGCLDEW-PMACEKPBSA-N 1 2 326.484 3.235 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H](CCC)C(C)C ZINC001755075291 1440748512 /nfs/dbraw/zinc/74/85/12/1440748512.db2.gz DFXDBQCPGCLDEW-PMACEKPBSA-N 1 2 326.484 3.235 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)CC1CCC1 ZINC001755189978 1440774259 /nfs/dbraw/zinc/77/42/59/1440774259.db2.gz UYXIHJPVBIXILR-AWEZNQCLSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CC1CCC1 ZINC001755189978 1440774260 /nfs/dbraw/zinc/77/42/60/1440774260.db2.gz UYXIHJPVBIXILR-AWEZNQCLSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)/C=C(\C)C1CC1 ZINC001755190656 1440774622 /nfs/dbraw/zinc/77/46/22/1440774622.db2.gz WHSLPPUSEQNBIZ-RZXPCSSPSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)/C=C(\C)C1CC1 ZINC001755190656 1440774623 /nfs/dbraw/zinc/77/46/23/1440774623.db2.gz WHSLPPUSEQNBIZ-RZXPCSSPSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)CCCC1CC1 ZINC001755197781 1440777716 /nfs/dbraw/zinc/77/77/16/1440777716.db2.gz NABNQVWNGRNXNI-OAHLLOKOSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)CCCC1CC1 ZINC001755197781 1440777717 /nfs/dbraw/zinc/77/77/17/1440777717.db2.gz NABNQVWNGRNXNI-OAHLLOKOSA-N 1 2 343.309 3.398 20 30 EGEDLO C=CC1(CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2nnc(CC)o2)CCCCC1 ZINC001755257786 1440793644 /nfs/dbraw/zinc/79/36/44/1440793644.db2.gz VEGBCPWSKNWNHS-HUUCEWRRSA-N 1 2 348.491 3.141 20 30 EGEDLO CCCC[C@@H](C[NH2+][C@H](C)c1nc(C(C)C)no1)NC(=O)C#CC(C)C ZINC001755358394 1440830674 /nfs/dbraw/zinc/83/06/74/1440830674.db2.gz RLEISCCMYPCZIO-CVEARBPZSA-N 1 2 348.491 3.178 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1C[N@@H+]([C@@H](C)c2ncccn2)CC1(C)C ZINC001755409288 1440845581 /nfs/dbraw/zinc/84/55/81/1440845581.db2.gz YQABSAOLNMKPFF-RDJZCZTQSA-N 1 2 342.487 3.133 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1C[N@H+]([C@@H](C)c2ncccn2)CC1(C)C ZINC001755409288 1440845582 /nfs/dbraw/zinc/84/55/82/1440845582.db2.gz YQABSAOLNMKPFF-RDJZCZTQSA-N 1 2 342.487 3.133 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CCC[N@H+](Cc2nocc2C)[C@@H]1C ZINC001755717216 1440905676 /nfs/dbraw/zinc/90/56/76/1440905676.db2.gz QSINIOXHLBYBRZ-IAGOWNOFSA-N 1 2 331.460 3.036 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2nocc2C)[C@@H]1C ZINC001755717216 1440905677 /nfs/dbraw/zinc/90/56/77/1440905677.db2.gz QSINIOXHLBYBRZ-IAGOWNOFSA-N 1 2 331.460 3.036 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccn(C(C)C)n2)[C@@H]1C ZINC001755724893 1440909076 /nfs/dbraw/zinc/90/90/76/1440909076.db2.gz ZIKSMIRUJAQXRR-AEFFLSMTSA-N 1 2 332.492 3.289 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CCC[N@H+](Cc2ccn(C(C)C)n2)[C@@H]1C ZINC001755724893 1440909077 /nfs/dbraw/zinc/90/90/77/1440909077.db2.gz ZIKSMIRUJAQXRR-AEFFLSMTSA-N 1 2 332.492 3.289 20 30 EGEDLO CC(C)N(CC[N@H+](C)Cc1cccc(F)c1Cl)C(=O)[C@H](C)C#N ZINC001755809135 1440918887 /nfs/dbraw/zinc/91/88/87/1440918887.db2.gz KTTLSTZIXLNZGV-CYBMUJFWSA-N 1 2 339.842 3.308 20 30 EGEDLO CC(C)N(CC[N@@H+](C)Cc1cccc(F)c1Cl)C(=O)[C@H](C)C#N ZINC001755809135 1440918888 /nfs/dbraw/zinc/91/88/88/1440918888.db2.gz KTTLSTZIXLNZGV-CYBMUJFWSA-N 1 2 339.842 3.308 20 30 EGEDLO CC#CC[NH2+]C[C@@H](NC(=O)c1cc(C)cc(OC)c1C)C(C)(C)C ZINC001755826925 1440927519 /nfs/dbraw/zinc/92/75/19/1440927519.db2.gz AGODKVFUZCBZHI-GOSISDBHSA-N 1 2 330.472 3.069 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C[NH2+][C@@H](C)c1noc(C)n1)C(C)(C)C ZINC001755830112 1440928418 /nfs/dbraw/zinc/92/84/18/1440928418.db2.gz KCTYMZJEGGVUFK-JSGCOSHPSA-N 1 2 336.480 3.162 20 30 EGEDLO C=CC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CC1 ZINC001588839858 984350369 /nfs/dbraw/zinc/35/03/69/984350369.db2.gz WWVZERQCSARIIN-UHFFFAOYSA-N 1 2 340.423 3.385 20 30 EGEDLO C=CC[N@H+](CC(=O)N1CCc2ccccc21)Cc1ccc(OC)cc1 ZINC000054272034 214228518 /nfs/dbraw/zinc/22/85/18/214228518.db2.gz UBVBXBMCOHGIFK-UHFFFAOYSA-N 1 2 336.435 3.273 20 30 EGEDLO C=CC[N@@H+](CC(=O)N1CCc2ccccc21)Cc1ccc(OC)cc1 ZINC000054272034 214228519 /nfs/dbraw/zinc/22/85/19/214228519.db2.gz UBVBXBMCOHGIFK-UHFFFAOYSA-N 1 2 336.435 3.273 20 30 EGEDLO Cc1cccc(S(=O)(=O)CCC[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000184228957 235341234 /nfs/dbraw/zinc/34/12/34/235341234.db2.gz SZNRQGLBWFGDGT-UHFFFAOYSA-N 1 2 342.464 3.163 20 30 EGEDLO Cc1cccc(S(=O)(=O)CCC[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000184228957 235341238 /nfs/dbraw/zinc/34/12/38/235341238.db2.gz SZNRQGLBWFGDGT-UHFFFAOYSA-N 1 2 342.464 3.163 20 30 EGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cccc(C#N)c3)n2)C1 ZINC000028682127 202175377 /nfs/dbraw/zinc/17/53/77/202175377.db2.gz ZSZNDQGOFWIRSH-CYBMUJFWSA-N 1 2 340.452 3.499 20 30 EGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cccc(C#N)c3)n2)C1 ZINC000028682127 202175380 /nfs/dbraw/zinc/17/53/80/202175380.db2.gz ZSZNDQGOFWIRSH-CYBMUJFWSA-N 1 2 340.452 3.499 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CCc3ccccc3C2)c(C#N)c1C ZINC000034854061 202278471 /nfs/dbraw/zinc/27/84/71/202278471.db2.gz SJECWBGFHAQUNR-UHFFFAOYSA-N 1 2 325.437 3.233 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CCc3ccccc3C2)c(C#N)c1C ZINC000034854061 202278474 /nfs/dbraw/zinc/27/84/74/202278474.db2.gz SJECWBGFHAQUNR-UHFFFAOYSA-N 1 2 325.437 3.233 20 30 EGEDLO C=CCC[C@H](NC(=O)C(=O)Nc1ccc(C)[nH+]c1C)c1ccccc1 ZINC000269529559 201232195 /nfs/dbraw/zinc/23/21/95/201232195.db2.gz SMHDURCCWSJNNW-SFHVURJKSA-N 1 2 337.423 3.461 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](C)c1nnc(C)s1 ZINC000273572418 201259700 /nfs/dbraw/zinc/25/97/00/201259700.db2.gz GDYOEUZOHBTDJG-LLVKDONJSA-N 1 2 348.497 3.414 20 30 EGEDLO C=C(C)[C@@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000274742948 201271223 /nfs/dbraw/zinc/27/12/23/201271223.db2.gz YVWADCVJZOJXSO-BLLLJJGKSA-N 1 2 334.370 3.166 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000275447742 201282242 /nfs/dbraw/zinc/28/22/42/201282242.db2.gz HYKQNAQQEBMNEH-OXQOHEQNSA-N 1 2 346.471 3.247 20 30 EGEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000277075723 201300592 /nfs/dbraw/zinc/30/05/92/201300592.db2.gz XNGPJCURMBFJCZ-HNNXBMFYSA-N 1 2 339.464 3.266 20 30 EGEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000277075723 201300597 /nfs/dbraw/zinc/30/05/97/201300597.db2.gz XNGPJCURMBFJCZ-HNNXBMFYSA-N 1 2 339.464 3.266 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(OCC)c(OCC)c2)n1 ZINC000279799017 201322636 /nfs/dbraw/zinc/32/26/36/201322636.db2.gz WLZXEVPYOZWJPT-UHFFFAOYSA-N 1 2 341.455 3.336 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(OCC)c(OCC)c2)n1 ZINC000279799017 201322638 /nfs/dbraw/zinc/32/26/38/201322638.db2.gz WLZXEVPYOZWJPT-UHFFFAOYSA-N 1 2 341.455 3.336 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2c[nH]nc2-c2ccc(F)cc2)n1 ZINC000279369210 201316616 /nfs/dbraw/zinc/31/66/16/201316616.db2.gz IQOCBEBHMFYVGV-UHFFFAOYSA-N 1 2 337.402 3.068 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2c[nH]nc2-c2ccc(F)cc2)n1 ZINC000279369210 201316620 /nfs/dbraw/zinc/31/66/20/201316620.db2.gz IQOCBEBHMFYVGV-UHFFFAOYSA-N 1 2 337.402 3.068 20 30 EGEDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000072014151 203157878 /nfs/dbraw/zinc/15/78/78/203157878.db2.gz PCJZJELCPNYBJB-ZDUSSCGKSA-N 1 2 328.366 3.115 20 30 EGEDLO COc1cc(C[N@H+](C)C[C@@H](C#N)CCC#N)c(SC)cc1OC ZINC000158103898 205294892 /nfs/dbraw/zinc/29/48/92/205294892.db2.gz RVESKHNKJWBIGI-CYBMUJFWSA-N 1 2 333.457 3.301 20 30 EGEDLO COc1cc(C[N@@H+](C)C[C@@H](C#N)CCC#N)c(SC)cc1OC ZINC000158103898 205294897 /nfs/dbraw/zinc/29/48/97/205294897.db2.gz RVESKHNKJWBIGI-CYBMUJFWSA-N 1 2 333.457 3.301 20 30 EGEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)O1 ZINC000111275827 220131413 /nfs/dbraw/zinc/13/14/13/220131413.db2.gz YLXNQHQTXZQZRD-SLEUVZQESA-N 1 2 335.835 3.038 20 30 EGEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)O1 ZINC000111275827 220131414 /nfs/dbraw/zinc/13/14/14/220131414.db2.gz YLXNQHQTXZQZRD-SLEUVZQESA-N 1 2 335.835 3.038 20 30 EGEDLO CCc1nc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cs1 ZINC000265207552 247298873 /nfs/dbraw/zinc/29/88/73/247298873.db2.gz QUYQUMDYOPVADE-IUODEOHRSA-N 1 2 340.452 3.033 20 30 EGEDLO C[C@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1c(F)cccc1F ZINC000265240753 247329076 /nfs/dbraw/zinc/32/90/76/247329076.db2.gz WJMZTQGIYORUEE-YVEFUNNKSA-N 1 2 341.361 3.293 20 30 EGEDLO Cc1sc(NC(=O)C[NH2+]C(C)(C)c2nccs2)c(C#N)c1C ZINC000177190028 207304461 /nfs/dbraw/zinc/30/44/61/207304461.db2.gz UIKJXWHPIIQALH-UHFFFAOYSA-N 1 2 334.470 3.157 20 30 EGEDLO Cc1nsc(N2CC[NH+](Cc3ccc([C@@H]4C[C@H]4C)o3)CC2)c1C#N ZINC000356275880 141333784 /nfs/dbraw/zinc/33/37/84/141333784.db2.gz GDZVOBMNSGIGRT-IUODEOHRSA-N 1 2 342.468 3.362 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000187143392 144152768 /nfs/dbraw/zinc/15/27/68/144152768.db2.gz CNSDMOMMLHMYER-SFHVURJKSA-N 1 2 334.847 3.372 20 30 EGEDLO COCC#CCSc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1 ZINC000677805898 549335344 /nfs/dbraw/zinc/33/53/44/549335344.db2.gz KWYQMXSTBLBJGY-UHFFFAOYSA-N 1 2 344.827 3.211 20 30 EGEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000192988950 153272855 /nfs/dbraw/zinc/27/28/55/153272855.db2.gz IMKPHUZQZWYCLJ-UHFFFAOYSA-N 1 2 335.382 3.425 20 30 EGEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000192988950 153272861 /nfs/dbraw/zinc/27/28/61/153272861.db2.gz IMKPHUZQZWYCLJ-UHFFFAOYSA-N 1 2 335.382 3.425 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccnc2)cc1Cl ZINC000346977589 156225613 /nfs/dbraw/zinc/22/56/13/156225613.db2.gz JZHPIFVLWOCOTL-QGZVFWFLSA-N 1 2 340.814 3.382 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccnc2)cc1Cl ZINC000346977589 156225619 /nfs/dbraw/zinc/22/56/19/156225619.db2.gz JZHPIFVLWOCOTL-QGZVFWFLSA-N 1 2 340.814 3.382 20 30 EGEDLO Cn1cc(C[N@@H+]2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)cc1C#N ZINC000248807960 163035694 /nfs/dbraw/zinc/03/56/94/163035694.db2.gz BSYSOJRHWYYWEG-SJORKVTESA-N 1 2 349.356 3.223 20 30 EGEDLO Cn1cc(C[N@H+]2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)cc1C#N ZINC000248807960 163035695 /nfs/dbraw/zinc/03/56/95/163035695.db2.gz BSYSOJRHWYYWEG-SJORKVTESA-N 1 2 349.356 3.223 20 30 EGEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1csc([N+](=O)[O-])c1 ZINC000344115434 164106998 /nfs/dbraw/zinc/10/69/98/164106998.db2.gz NOTATTVWHWTEJB-UHFFFAOYSA-N 1 2 331.397 3.177 20 30 EGEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1csc([N+](=O)[O-])c1 ZINC000344115434 164107000 /nfs/dbraw/zinc/10/70/00/164107000.db2.gz NOTATTVWHWTEJB-UHFFFAOYSA-N 1 2 331.397 3.177 20 30 EGEDLO Cc1cc(N[C@H](C)Cn2cc[nH+]c2)n2c3ccccc3nc2c1C#N ZINC000357123965 166591215 /nfs/dbraw/zinc/59/12/15/166591215.db2.gz DEVCIHOMULMVKO-CQSZACIVSA-N 1 2 330.395 3.365 20 30 EGEDLO C[C@@H](C(=O)NCc1ccccc1Cn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000359902483 167262670 /nfs/dbraw/zinc/26/26/70/167262670.db2.gz AWSCCCHPVLHAHN-MRXNPFEDSA-N 1 2 344.418 3.223 20 30 EGEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCC[C@H]2c2noc(C3CC3)n2)cc1 ZINC000366266401 168100243 /nfs/dbraw/zinc/10/02/43/168100243.db2.gz HLLSHXKVUUGICX-IRXDYDNUSA-N 1 2 338.411 3.079 20 30 EGEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@H]2c2noc(C3CC3)n2)cc1 ZINC000366266401 168100246 /nfs/dbraw/zinc/10/02/46/168100246.db2.gz HLLSHXKVUUGICX-IRXDYDNUSA-N 1 2 338.411 3.079 20 30 EGEDLO N#Cc1c(NCc2ccc(-n3cc[nH+]c3)nc2)nc2cc(Cl)ccn12 ZINC000367720896 168263028 /nfs/dbraw/zinc/26/30/28/168263028.db2.gz NAVUUKPNCXTTRZ-UHFFFAOYSA-N 1 2 349.785 3.052 20 30 EGEDLO N#Cc1cccc(C2(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)CC2)c1 ZINC000435061387 269971477 /nfs/dbraw/zinc/97/14/77/269971477.db2.gz YPGVCYFQNNETOH-UHFFFAOYSA-N 1 2 328.375 3.414 20 30 EGEDLO N#Cc1cccc(Cl)c1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000301393266 270044133 /nfs/dbraw/zinc/04/41/33/270044133.db2.gz CGHJTEICZXYXDO-UHFFFAOYSA-N 1 2 327.815 3.239 20 30 EGEDLO N#Cc1cccc(COc2cccc(C[N@@H+]3CCO[C@H](CF)C3)c2)c1 ZINC000414471669 270046978 /nfs/dbraw/zinc/04/69/78/270046978.db2.gz QCETVMWBPACTHT-HXUWFJFHSA-N 1 2 340.398 3.308 20 30 EGEDLO N#Cc1cccc(COc2cccc(C[N@H+]3CCO[C@H](CF)C3)c2)c1 ZINC000414471669 270046979 /nfs/dbraw/zinc/04/69/79/270046979.db2.gz QCETVMWBPACTHT-HXUWFJFHSA-N 1 2 340.398 3.308 20 30 EGEDLO COCC[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccco1 ZINC000273285018 267013616 /nfs/dbraw/zinc/01/36/16/267013616.db2.gz ORHGJIJAAAECQD-OAHLLOKOSA-N 1 2 338.367 3.069 20 30 EGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCOC[C@H](C)C1 ZINC000328673138 267144486 /nfs/dbraw/zinc/14/44/86/267144486.db2.gz ITIUEMYRNSPYJT-VXGBXAGGSA-N 1 2 333.457 3.053 20 30 EGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCOC[C@H](C)C1 ZINC000328673138 267144489 /nfs/dbraw/zinc/14/44/89/267144489.db2.gz ITIUEMYRNSPYJT-VXGBXAGGSA-N 1 2 333.457 3.053 20 30 EGEDLO CCOc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)Nc1ccccc1C#N)C2 ZINC000441076307 267172139 /nfs/dbraw/zinc/17/21/39/267172139.db2.gz DABQIJSMYOGXRX-OAHLLOKOSA-N 1 2 349.434 3.342 20 30 EGEDLO CCOc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)Nc1ccccc1C#N)C2 ZINC000441076307 267172143 /nfs/dbraw/zinc/17/21/43/267172143.db2.gz DABQIJSMYOGXRX-OAHLLOKOSA-N 1 2 349.434 3.342 20 30 EGEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)[C@@H](CC)CN1C(C)=O ZINC000439440550 267231737 /nfs/dbraw/zinc/23/17/37/267231737.db2.gz INPJKKUZKKBMLG-IRXDYDNUSA-N 1 2 333.863 3.433 20 30 EGEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)[C@@H](CC)CN1C(C)=O ZINC000439440550 267231741 /nfs/dbraw/zinc/23/17/41/267231741.db2.gz INPJKKUZKKBMLG-IRXDYDNUSA-N 1 2 333.863 3.433 20 30 EGEDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000493578251 267255065 /nfs/dbraw/zinc/25/50/65/267255065.db2.gz AARZJBBPLHWBFG-AATRIKPKSA-N 1 2 345.200 3.189 20 30 EGEDLO COc1ccc(C#N)cc1C[NH+]1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429393256 267610103 /nfs/dbraw/zinc/61/01/03/267610103.db2.gz KXBIPHKFFPMEIE-GJZGRUSLSA-N 1 2 343.471 3.034 20 30 EGEDLO N#Cc1cc(NC(=O)C2CC[NH+](CC(F)F)CC2)nc2ccccc12 ZINC000297608777 268005516 /nfs/dbraw/zinc/00/55/16/268005516.db2.gz BEVXHBPVHIZNLL-UHFFFAOYSA-N 1 2 344.365 3.022 20 30 EGEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC=C(C(F)(F)F)CC3)C2=O)cc1 ZINC000272461201 268111194 /nfs/dbraw/zinc/11/11/94/268111194.db2.gz KLNAIOQWUJIRLB-MRXNPFEDSA-N 1 2 349.356 3.248 20 30 EGEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CC=C(C(F)(F)F)CC3)C2=O)cc1 ZINC000272461201 268111198 /nfs/dbraw/zinc/11/11/98/268111198.db2.gz KLNAIOQWUJIRLB-MRXNPFEDSA-N 1 2 349.356 3.248 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)cc1 ZINC000185328559 268140816 /nfs/dbraw/zinc/14/08/16/268140816.db2.gz LSBIJFOUGQOWBI-CQSZACIVSA-N 1 2 341.361 3.264 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)cc1 ZINC000185328559 268140818 /nfs/dbraw/zinc/14/08/18/268140818.db2.gz LSBIJFOUGQOWBI-CQSZACIVSA-N 1 2 341.361 3.264 20 30 EGEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)CCCc3ccccc3)CC2)c1 ZINC000299664706 268247159 /nfs/dbraw/zinc/24/71/59/268247159.db2.gz WTBNAAFVXSARIW-UHFFFAOYSA-N 1 2 347.462 3.225 20 30 EGEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000437504943 268306497 /nfs/dbraw/zinc/30/64/97/268306497.db2.gz NDJVPVMFEFJAKI-UHFFFAOYSA-N 1 2 347.390 3.285 20 30 EGEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000437504943 268306502 /nfs/dbraw/zinc/30/65/02/268306502.db2.gz NDJVPVMFEFJAKI-UHFFFAOYSA-N 1 2 347.390 3.285 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)c(F)c1 ZINC000278835973 275279290 /nfs/dbraw/zinc/27/92/90/275279290.db2.gz KJMPLLHIJSWINZ-HNNXBMFYSA-N 1 2 329.350 3.275 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)c(F)c1 ZINC000278835973 275279291 /nfs/dbraw/zinc/27/92/91/275279291.db2.gz KJMPLLHIJSWINZ-HNNXBMFYSA-N 1 2 329.350 3.275 20 30 EGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccc(C#N)c(Cl)c1)CCC2 ZINC000548634083 315028844 /nfs/dbraw/zinc/02/88/44/315028844.db2.gz LCPRSSZMPCIWTP-CQSZACIVSA-N 1 2 328.803 3.024 20 30 EGEDLO Cc1cc(-c2noc([C@H](C)[NH2+]Cc3ccc(C#N)cn3)n2)ccc1F ZINC000554523738 315328154 /nfs/dbraw/zinc/32/81/54/315328154.db2.gz VOFOENPXWMIDST-LBPRGKRZSA-N 1 2 337.358 3.302 20 30 EGEDLO CC(C)Oc1ccc(NC(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)cc1C#N ZINC000556577792 315443244 /nfs/dbraw/zinc/44/32/44/315443244.db2.gz PMFWHNWJYUOICN-SWLSCSKDSA-N 1 2 339.399 3.369 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000565695768 316357446 /nfs/dbraw/zinc/35/74/46/316357446.db2.gz XBTCNVFKZRMDRF-HNNXBMFYSA-N 1 2 332.407 3.070 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC=C(c2ccccn2)C1 ZINC000565695768 316357450 /nfs/dbraw/zinc/35/74/50/316357450.db2.gz XBTCNVFKZRMDRF-HNNXBMFYSA-N 1 2 332.407 3.070 20 30 EGEDLO Cc1ccc(CCNc2c(C#N)cnc3c(F)c(F)c(F)cc32)c[nH+]1 ZINC000567132996 316573535 /nfs/dbraw/zinc/57/35/35/316573535.db2.gz MAGHIMJBLNTHPX-UHFFFAOYSA-N 1 2 342.324 3.304 20 30 EGEDLO CCO[C@@H](C)c1noc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000172320662 323276542 /nfs/dbraw/zinc/27/65/42/323276542.db2.gz LMXCFABPVTWPBK-ZDUSSCGKSA-N 1 2 326.400 3.203 20 30 EGEDLO CCO[C@@H](C)c1noc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000172320662 323276548 /nfs/dbraw/zinc/27/65/48/323276548.db2.gz LMXCFABPVTWPBK-ZDUSSCGKSA-N 1 2 326.400 3.203 20 30 EGEDLO CC[N@H+](CCCNc1nccc(C#N)c1[N+](=O)[O-])c1ccccc1 ZINC000349418225 324023259 /nfs/dbraw/zinc/02/32/59/324023259.db2.gz BEPJYSUDSAHBKU-UHFFFAOYSA-N 1 2 325.372 3.190 20 30 EGEDLO CC[N@@H+](CCCNc1nccc(C#N)c1[N+](=O)[O-])c1ccccc1 ZINC000349418225 324023264 /nfs/dbraw/zinc/02/32/64/324023264.db2.gz BEPJYSUDSAHBKU-UHFFFAOYSA-N 1 2 325.372 3.190 20 30 EGEDLO CCCc1c(N[C@H]2CCn3cc[nH+]c32)cnn1-c1cccc(C#N)c1 ZINC000576199420 324564367 /nfs/dbraw/zinc/56/43/67/324564367.db2.gz FASYIURGJDSQBQ-INIZCTEOSA-N 1 2 332.411 3.450 20 30 EGEDLO C[C@@H]1C[N@@H+](CCSc2nc3c(cc2C#N)CCCC3)C[C@H](C)O1 ZINC000578669392 325002270 /nfs/dbraw/zinc/00/22/70/325002270.db2.gz KNICKRHJORAPLA-OKILXGFUSA-N 1 2 331.485 3.033 20 30 EGEDLO C[C@@H]1C[N@H+](CCSc2nc3c(cc2C#N)CCCC3)C[C@H](C)O1 ZINC000578669392 325002273 /nfs/dbraw/zinc/00/22/73/325002273.db2.gz KNICKRHJORAPLA-OKILXGFUSA-N 1 2 331.485 3.033 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](Nc1ncc2c(c1C#N)CCC2)c1ccccc1 ZINC000581008024 325320244 /nfs/dbraw/zinc/32/02/44/325320244.db2.gz XXWOHXKMBBYSPY-SFHVURJKSA-N 1 2 329.407 3.377 20 30 EGEDLO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c(Br)c1OC ZINC000331323214 457166442 /nfs/dbraw/zinc/16/64/42/457166442.db2.gz FPXQTPNUHABIFN-ZYHUDNBSSA-N 1 2 339.233 3.248 20 30 EGEDLO CN(C(=O)C[N@@H+]1CCC[C@](C)(C#N)C1)[C@@H]1CCCc2ccccc21 ZINC000612166015 460558003 /nfs/dbraw/zinc/55/80/03/460558003.db2.gz SJVPQUXQQLYKKP-UYAOXDASSA-N 1 2 325.456 3.148 20 30 EGEDLO CN(C(=O)C[N@H+]1CCC[C@](C)(C#N)C1)[C@@H]1CCCc2ccccc21 ZINC000612166015 460558008 /nfs/dbraw/zinc/55/80/08/460558008.db2.gz SJVPQUXQQLYKKP-UYAOXDASSA-N 1 2 325.456 3.148 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000010142090 453277680 /nfs/dbraw/zinc/27/76/80/453277680.db2.gz HJHOAPVGWAXOMD-AAEUAGOBSA-N 1 2 325.334 3.160 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000010142090 453277687 /nfs/dbraw/zinc/27/76/87/453277687.db2.gz HJHOAPVGWAXOMD-AAEUAGOBSA-N 1 2 325.334 3.160 20 30 EGEDLO C[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3cccc(C#N)c3)c2C1 ZINC000015644371 453581430 /nfs/dbraw/zinc/58/14/30/453581430.db2.gz BESCPPVRZKJYHF-UHFFFAOYSA-N 1 2 342.402 3.347 20 30 EGEDLO C[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3cccc(C#N)c3)c2C1 ZINC000015644371 453581434 /nfs/dbraw/zinc/58/14/34/453581434.db2.gz BESCPPVRZKJYHF-UHFFFAOYSA-N 1 2 342.402 3.347 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000025413977 453771352 /nfs/dbraw/zinc/77/13/52/453771352.db2.gz FNHJKQPDYJPUPZ-FGTMMUONSA-N 1 2 343.471 3.048 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000025413977 453771354 /nfs/dbraw/zinc/77/13/54/453771354.db2.gz FNHJKQPDYJPUPZ-FGTMMUONSA-N 1 2 343.471 3.048 20 30 EGEDLO N#Cc1ccc(NCc2cccc(Cn3cc[nH+]c3)c2)c([N+](=O)[O-])c1 ZINC000030587553 453836871 /nfs/dbraw/zinc/83/68/71/453836871.db2.gz YDDLSLDRBQNDMJ-UHFFFAOYSA-N 1 2 333.351 3.323 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000053228044 453866312 /nfs/dbraw/zinc/86/63/12/453866312.db2.gz NTMOMDOQOFACDP-IBGZPJMESA-N 1 2 346.446 3.007 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000053228044 453866316 /nfs/dbraw/zinc/86/63/16/453866316.db2.gz NTMOMDOQOFACDP-IBGZPJMESA-N 1 2 346.446 3.007 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000181740606 455378346 /nfs/dbraw/zinc/37/83/46/455378346.db2.gz KBDMLADNYMLXTG-RYUDHWBXSA-N 1 2 325.815 3.138 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000075300362 453877597 /nfs/dbraw/zinc/87/75/97/453877597.db2.gz OVIJAUYRMGEXML-QZTJIDSGSA-N 1 2 330.391 3.246 20 30 EGEDLO N#Cc1ccc(OCC[N@@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000066847295 453879634 /nfs/dbraw/zinc/87/96/34/453879634.db2.gz LLSGRDRHJRZLOK-IBGZPJMESA-N 1 2 326.371 3.150 20 30 EGEDLO N#Cc1ccc(OCC[N@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000066847295 453879635 /nfs/dbraw/zinc/87/96/35/453879635.db2.gz LLSGRDRHJRZLOK-IBGZPJMESA-N 1 2 326.371 3.150 20 30 EGEDLO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(C#N)cc1 ZINC000075596264 453909258 /nfs/dbraw/zinc/90/92/58/453909258.db2.gz KEKKNTOLXAHHJA-UHFFFAOYSA-N 1 2 329.363 3.112 20 30 EGEDLO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(C#N)cc1 ZINC000075596264 453909262 /nfs/dbraw/zinc/90/92/62/453909262.db2.gz KEKKNTOLXAHHJA-UHFFFAOYSA-N 1 2 329.363 3.112 20 30 EGEDLO CC[N@H+](CCS(=O)(=O)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000054340740 453923640 /nfs/dbraw/zinc/92/36/40/453923640.db2.gz UVNCCGFQLYCWAL-MRXNPFEDSA-N 1 2 342.464 3.415 20 30 EGEDLO CC[N@@H+](CCS(=O)(=O)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000054340740 453923642 /nfs/dbraw/zinc/92/36/42/453923642.db2.gz UVNCCGFQLYCWAL-MRXNPFEDSA-N 1 2 342.464 3.415 20 30 EGEDLO CC(C)CC[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000055069305 453959847 /nfs/dbraw/zinc/95/98/47/453959847.db2.gz FYFIDISRJZNFLP-KRWDZBQOSA-N 1 2 342.487 3.210 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076153368 453972435 /nfs/dbraw/zinc/97/24/35/453972435.db2.gz LWCCBNYPILPHLX-RBUKOAKNSA-N 1 2 325.456 3.183 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076153368 453972438 /nfs/dbraw/zinc/97/24/38/453972438.db2.gz LWCCBNYPILPHLX-RBUKOAKNSA-N 1 2 325.456 3.183 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000042316786 454005846 /nfs/dbraw/zinc/00/58/46/454005846.db2.gz UTIMRPDLUHLOLT-CQSZACIVSA-N 1 2 347.422 3.277 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000042316784 454006082 /nfs/dbraw/zinc/00/60/82/454006082.db2.gz UTIMRPDLUHLOLT-AWEZNQCLSA-N 1 2 347.422 3.277 20 30 EGEDLO N#Cc1ccc(NCc2cc[nH+]c(N3CCOCC3)c2)cc1Cl ZINC000068429166 454026277 /nfs/dbraw/zinc/02/62/77/454026277.db2.gz IUFFCWLRPCIKQY-UHFFFAOYSA-N 1 2 328.803 3.055 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000068476896 454029717 /nfs/dbraw/zinc/02/97/17/454029717.db2.gz NFHYVOGSZSXFCH-NEPJUHHUSA-N 1 2 335.835 3.038 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000068476896 454029720 /nfs/dbraw/zinc/02/97/20/454029720.db2.gz NFHYVOGSZSXFCH-NEPJUHHUSA-N 1 2 335.835 3.038 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000076948257 454052471 /nfs/dbraw/zinc/05/24/71/454052471.db2.gz NWLRSAPBJRNEGL-RVKKMQEKSA-N 1 2 343.471 3.376 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000076948257 454052475 /nfs/dbraw/zinc/05/24/75/454052475.db2.gz NWLRSAPBJRNEGL-RVKKMQEKSA-N 1 2 343.471 3.376 20 30 EGEDLO C=CC[N@@H+](CC(=O)N1C[C@H](C)C[C@H](C)C1)Cc1cccc(C#N)c1 ZINC000068827159 454057581 /nfs/dbraw/zinc/05/75/81/454057581.db2.gz JAAVSWJGPQSMFM-CALCHBBNSA-N 1 2 325.456 3.051 20 30 EGEDLO C=CC[N@H+](CC(=O)N1C[C@H](C)C[C@H](C)C1)Cc1cccc(C#N)c1 ZINC000068827159 454057582 /nfs/dbraw/zinc/05/75/82/454057582.db2.gz JAAVSWJGPQSMFM-CALCHBBNSA-N 1 2 325.456 3.051 20 30 EGEDLO CCOc1ccc(C#N)cc1NC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000056743736 454077982 /nfs/dbraw/zinc/07/79/82/454077982.db2.gz JESVBUQINGWJFZ-UHFFFAOYSA-N 1 2 349.394 3.235 20 30 EGEDLO C=CCCO[C@H](C)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000069355582 454097841 /nfs/dbraw/zinc/09/78/41/454097841.db2.gz WXPDAZWPEYFGMY-BRWVUGGUSA-N 1 2 346.471 3.216 20 30 EGEDLO N#Cc1nnc2ccccc2c1Nc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000265901501 455401821 /nfs/dbraw/zinc/40/18/21/455401821.db2.gz VBVXNUXJDGRQFJ-UHFFFAOYSA-N 1 2 345.406 3.206 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000045029429 454134433 /nfs/dbraw/zinc/13/44/33/454134433.db2.gz DRNDQQJHTJWUDG-KRWDZBQOSA-N 1 2 349.369 3.342 20 30 EGEDLO CC(C)Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC(C#N)CC2)cc1 ZINC000057880106 454154205 /nfs/dbraw/zinc/15/42/05/454154205.db2.gz PLHMVZBFUDPDKB-INIZCTEOSA-N 1 2 327.472 3.298 20 30 EGEDLO CN(Cc1ccc(C#N)cc1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045711408 454175641 /nfs/dbraw/zinc/17/56/41/454175641.db2.gz ZBHHCEZZQMMCHN-UHFFFAOYSA-N 1 2 330.391 3.075 20 30 EGEDLO N#Cc1cc(Cl)ccc1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000058332219 454188762 /nfs/dbraw/zinc/18/87/62/454188762.db2.gz KYHXTWMKARKDBO-UHFFFAOYSA-N 1 2 328.803 3.055 20 30 EGEDLO C=CC[N@@H+](CC(=O)N([C@@H](C)C1CC1)C1CC1)Cc1cccc(C#N)c1 ZINC000119651299 454210801 /nfs/dbraw/zinc/21/08/01/454210801.db2.gz LHCMFFXSCQAADT-INIZCTEOSA-N 1 2 337.467 3.336 20 30 EGEDLO C=CC[N@H+](CC(=O)N([C@@H](C)C1CC1)C1CC1)Cc1cccc(C#N)c1 ZINC000119651299 454210806 /nfs/dbraw/zinc/21/08/06/454210806.db2.gz LHCMFFXSCQAADT-INIZCTEOSA-N 1 2 337.467 3.336 20 30 EGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000046342048 454242802 /nfs/dbraw/zinc/24/28/02/454242802.db2.gz SAXNXDMTMZVHJQ-HZPDHXFCSA-N 1 2 349.434 3.420 20 30 EGEDLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)c1C ZINC000046528274 454260581 /nfs/dbraw/zinc/26/05/81/454260581.db2.gz VXGLKHFAWOQLQF-AWEZNQCLSA-N 1 2 337.423 3.409 20 30 EGEDLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)c1C ZINC000046528274 454260587 /nfs/dbraw/zinc/26/05/87/454260587.db2.gz VXGLKHFAWOQLQF-AWEZNQCLSA-N 1 2 337.423 3.409 20 30 EGEDLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1cc(C#N)ccc1OC ZINC000131761563 454283057 /nfs/dbraw/zinc/28/30/57/454283057.db2.gz MTDNEOFGWVALSY-UHFFFAOYSA-N 1 2 337.423 3.200 20 30 EGEDLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1cc(C#N)ccc1OC ZINC000131761563 454283061 /nfs/dbraw/zinc/28/30/61/454283061.db2.gz MTDNEOFGWVALSY-UHFFFAOYSA-N 1 2 337.423 3.200 20 30 EGEDLO COc1ccc(C(=O)/C=C/c2[nH+]ccn2CC(F)(F)F)c(OC)c1 ZINC000060376196 454283451 /nfs/dbraw/zinc/28/34/51/454283451.db2.gz HSUVGXIGZFOBKH-AATRIKPKSA-N 1 2 340.301 3.359 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCCOc1cccc(C)c1)Cc1cccs1 ZINC000060942798 454321911 /nfs/dbraw/zinc/32/19/11/454321911.db2.gz RYHXPZRDCCWGDJ-UHFFFAOYSA-N 1 2 344.480 3.240 20 30 EGEDLO C=CC[N@H+](CC(=O)NCCOc1cccc(C)c1)Cc1cccs1 ZINC000060942798 454321913 /nfs/dbraw/zinc/32/19/13/454321913.db2.gz RYHXPZRDCCWGDJ-UHFFFAOYSA-N 1 2 344.480 3.240 20 30 EGEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2cccc(F)c2C#N)cc1 ZINC000072883648 454357165 /nfs/dbraw/zinc/35/71/65/454357165.db2.gz YEXDVUPSUBZCEG-FQEVSTJZSA-N 1 2 339.414 3.491 20 30 EGEDLO C=CCn1c(SCc2[nH+]ccn2C)nnc1-c1cccc(C)c1 ZINC000133065141 454389801 /nfs/dbraw/zinc/38/98/01/454389801.db2.gz LNUQZXADPOLBDO-UHFFFAOYSA-N 1 2 325.441 3.465 20 30 EGEDLO CC[N@@H+](Cc1cccc(C(=O)NCc2ccco2)c1)C[C@@H](C)C#N ZINC000064248888 454470141 /nfs/dbraw/zinc/47/01/41/454470141.db2.gz KOEIBRKFRADUMG-HNNXBMFYSA-N 1 2 325.412 3.191 20 30 EGEDLO CC[N@H+](Cc1cccc(C(=O)NCc2ccco2)c1)C[C@@H](C)C#N ZINC000064248888 454470144 /nfs/dbraw/zinc/47/01/44/454470144.db2.gz KOEIBRKFRADUMG-HNNXBMFYSA-N 1 2 325.412 3.191 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000121748062 454472202 /nfs/dbraw/zinc/47/22/02/454472202.db2.gz UWDGOEJHICVRAC-SFHVURJKSA-N 1 2 339.439 3.403 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000133914042 454482234 /nfs/dbraw/zinc/48/22/34/454482234.db2.gz JGGNSYJGRNZMJZ-ACJLOTCBSA-N 1 2 333.863 3.141 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000133914042 454482240 /nfs/dbraw/zinc/48/22/40/454482240.db2.gz JGGNSYJGRNZMJZ-ACJLOTCBSA-N 1 2 333.863 3.141 20 30 EGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCOc2ccccc2C1 ZINC000080103029 454533522 /nfs/dbraw/zinc/53/35/22/454533522.db2.gz QZFRXKSONHMJFU-KRWDZBQOSA-N 1 2 349.434 3.216 20 30 EGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCOc2ccccc2C1 ZINC000080103029 454533523 /nfs/dbraw/zinc/53/35/23/454533523.db2.gz QZFRXKSONHMJFU-KRWDZBQOSA-N 1 2 349.434 3.216 20 30 EGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCOc2ccccc2C1 ZINC000080103037 454533647 /nfs/dbraw/zinc/53/36/47/454533647.db2.gz QZFRXKSONHMJFU-QGZVFWFLSA-N 1 2 349.434 3.216 20 30 EGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCOc2ccccc2C1 ZINC000080103037 454533650 /nfs/dbraw/zinc/53/36/50/454533650.db2.gz QZFRXKSONHMJFU-QGZVFWFLSA-N 1 2 349.434 3.216 20 30 EGEDLO Cc1ccccc1Cc1nnc(C[N@@H+](C)Cc2cccc(C#N)c2)o1 ZINC000122606137 454551950 /nfs/dbraw/zinc/55/19/50/454551950.db2.gz FVUNVOUEZYBKTC-UHFFFAOYSA-N 1 2 332.407 3.473 20 30 EGEDLO Cc1ccccc1Cc1nnc(C[N@H+](C)Cc2cccc(C#N)c2)o1 ZINC000122606137 454551953 /nfs/dbraw/zinc/55/19/53/454551953.db2.gz FVUNVOUEZYBKTC-UHFFFAOYSA-N 1 2 332.407 3.473 20 30 EGEDLO N#Cc1csc(C[NH+]2CCN(C(=O)CC3CCCCC3)CC2)c1 ZINC000092787271 454632500 /nfs/dbraw/zinc/63/25/00/454632500.db2.gz YFFWUCQARNXKNU-UHFFFAOYSA-N 1 2 331.485 3.234 20 30 EGEDLO Cc1ccc(-c2noc([C@H](C)N3CC[NH+](CCCC#N)CC3)n2)cc1 ZINC000051899391 454641236 /nfs/dbraw/zinc/64/12/36/454641236.db2.gz DRRMQCCXCWFYTP-INIZCTEOSA-N 1 2 339.443 3.027 20 30 EGEDLO CCn1c2ccccc2[nH+]c1CCNc1ccc([N+](=O)[O-])cc1C#N ZINC000065947391 454643639 /nfs/dbraw/zinc/64/36/39/454643639.db2.gz XTPPQVHYNINQQA-UHFFFAOYSA-N 1 2 335.367 3.491 20 30 EGEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1cc(Cl)cc(Cl)c1 ZINC000052070684 454651385 /nfs/dbraw/zinc/65/13/85/454651385.db2.gz LHQNZEPBGFFUNM-MRXNPFEDSA-N 1 2 340.254 3.234 20 30 EGEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1cc(Cl)cc(Cl)c1 ZINC000052070684 454651387 /nfs/dbraw/zinc/65/13/87/454651387.db2.gz LHQNZEPBGFFUNM-MRXNPFEDSA-N 1 2 340.254 3.234 20 30 EGEDLO C[C@H](NC(=O)C[N@H+](CCC#N)CC1CC1)c1ccc2c(c1)CCCC2 ZINC000081045037 454676229 /nfs/dbraw/zinc/67/62/29/454676229.db2.gz AWHQGIZQZUYUGW-INIZCTEOSA-N 1 2 339.483 3.368 20 30 EGEDLO C[C@H](NC(=O)C[N@@H+](CCC#N)CC1CC1)c1ccc2c(c1)CCCC2 ZINC000081045037 454676231 /nfs/dbraw/zinc/67/62/31/454676231.db2.gz AWHQGIZQZUYUGW-INIZCTEOSA-N 1 2 339.483 3.368 20 30 EGEDLO N#CCC[N@@H+](CCC(=O)Nc1ccccc1Cl)Cc1ccccn1 ZINC000081159680 454691790 /nfs/dbraw/zinc/69/17/90/454691790.db2.gz OZHMYICDAXTIPO-UHFFFAOYSA-N 1 2 342.830 3.479 20 30 EGEDLO N#CCC[N@H+](CCC(=O)Nc1ccccc1Cl)Cc1ccccn1 ZINC000081159680 454691793 /nfs/dbraw/zinc/69/17/93/454691793.db2.gz OZHMYICDAXTIPO-UHFFFAOYSA-N 1 2 342.830 3.479 20 30 EGEDLO CC[C@]1(C)C[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000135636906 454695641 /nfs/dbraw/zinc/69/56/41/454695641.db2.gz VKNCDGWSYUAIHZ-HXUWFJFHSA-N 1 2 343.471 3.051 20 30 EGEDLO CC[C@]1(C)C[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000135636906 454695643 /nfs/dbraw/zinc/69/56/43/454695643.db2.gz VKNCDGWSYUAIHZ-HXUWFJFHSA-N 1 2 343.471 3.051 20 30 EGEDLO C[C@@H](CC#N)[N@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000161724170 454717573 /nfs/dbraw/zinc/71/75/73/454717573.db2.gz CEGCOHTXRVRWKJ-RYUDHWBXSA-N 1 2 343.500 3.175 20 30 EGEDLO C[C@@H](CC#N)[N@@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000161724170 454717579 /nfs/dbraw/zinc/71/75/79/454717579.db2.gz CEGCOHTXRVRWKJ-RYUDHWBXSA-N 1 2 343.500 3.175 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1nnc(C(C)C)s1)Cc1ccccc1 ZINC000136462558 454744243 /nfs/dbraw/zinc/74/42/43/454744243.db2.gz BLRBOGJODBZJGO-UHFFFAOYSA-N 1 2 330.457 3.288 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1nnc(C(C)C)s1)Cc1ccccc1 ZINC000136462558 454744247 /nfs/dbraw/zinc/74/42/47/454744247.db2.gz BLRBOGJODBZJGO-UHFFFAOYSA-N 1 2 330.457 3.288 20 30 EGEDLO C=CCOc1ccccc1CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000111886166 454877314 /nfs/dbraw/zinc/87/73/14/454877314.db2.gz HQCBISLUSUZASF-MRXNPFEDSA-N 1 2 340.427 3.411 20 30 EGEDLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)s1 ZINC000185012523 455485832 /nfs/dbraw/zinc/48/58/32/455485832.db2.gz MDTDXDNGAIZUME-JTQLQIEISA-N 1 2 334.832 3.266 20 30 EGEDLO N#Cc1cc(F)ccc1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000177907031 454917781 /nfs/dbraw/zinc/91/77/81/454917781.db2.gz UZABEKGZJSPVLS-UHFFFAOYSA-N 1 2 335.342 3.205 20 30 EGEDLO N#CC1CC[NH+]([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC000113252568 454918933 /nfs/dbraw/zinc/91/89/33/454918933.db2.gz YCOHOMMPNSHIRQ-HNNXBMFYSA-N 1 2 337.345 3.046 20 30 EGEDLO CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000114725013 454974399 /nfs/dbraw/zinc/97/43/99/454974399.db2.gz HUQREDBCFCRGGZ-OAHLLOKOSA-N 1 2 337.423 3.416 20 30 EGEDLO CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000114725013 454974401 /nfs/dbraw/zinc/97/44/01/454974401.db2.gz HUQREDBCFCRGGZ-OAHLLOKOSA-N 1 2 337.423 3.416 20 30 EGEDLO C[N@H+](Cc1ccc(Cl)c(F)c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000127684764 454987826 /nfs/dbraw/zinc/98/78/26/454987826.db2.gz OXOIOYQICRHIHD-MRXNPFEDSA-N 1 2 331.778 3.009 20 30 EGEDLO C[N@@H+](Cc1ccc(Cl)c(F)c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000127684764 454987829 /nfs/dbraw/zinc/98/78/29/454987829.db2.gz OXOIOYQICRHIHD-MRXNPFEDSA-N 1 2 331.778 3.009 20 30 EGEDLO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CCS1 ZINC000170901418 454996709 /nfs/dbraw/zinc/99/67/09/454996709.db2.gz POUCCAZTTNWFCU-CYBMUJFWSA-N 1 2 337.876 3.024 20 30 EGEDLO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CCS1 ZINC000170901418 454996714 /nfs/dbraw/zinc/99/67/14/454996714.db2.gz POUCCAZTTNWFCU-CYBMUJFWSA-N 1 2 337.876 3.024 20 30 EGEDLO N#Cc1ccc(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)nc1 ZINC000170967568 455007446 /nfs/dbraw/zinc/00/74/46/455007446.db2.gz LCYWRLZBMBARKE-UHFFFAOYSA-N 1 2 331.379 3.282 20 30 EGEDLO Cc1ccc(C(=O)N(CCC#N)CCC#N)cc1Oc1cc[nH+]cc1 ZINC000115342856 455011551 /nfs/dbraw/zinc/01/15/51/455011551.db2.gz POVBJIGAOYVVMN-UHFFFAOYSA-N 1 2 334.379 3.452 20 30 EGEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000118392664 455104607 /nfs/dbraw/zinc/10/46/07/455104607.db2.gz CNIFZWNKCZBZNB-HNNXBMFYSA-N 1 2 337.398 3.216 20 30 EGEDLO C[C@@H](C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1)[NH+]1CCSCC1 ZINC000152379669 455110474 /nfs/dbraw/zinc/11/04/74/455110474.db2.gz CERLOZRIYGHNJQ-WMLDXEAASA-N 1 2 345.512 3.102 20 30 EGEDLO CCOc1ccc(C#N)cc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000172062603 455115695 /nfs/dbraw/zinc/11/56/95/455115695.db2.gz VIGMHJBPNCJYFN-UHFFFAOYSA-N 1 2 332.363 3.395 20 30 EGEDLO N#CCc1ccccc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000601000220 460669712 /nfs/dbraw/zinc/66/97/12/460669712.db2.gz NMYJTRAQUICTPH-UHFFFAOYSA-N 1 2 334.423 3.068 20 30 EGEDLO C=CC[N@@H+](CCOC)Cc1ccc(OC)c(OC)c1Br ZINC000191107982 455444105 /nfs/dbraw/zinc/44/41/05/455444105.db2.gz FSWNBCRZXDNRDG-UHFFFAOYSA-N 1 2 344.249 3.101 20 30 EGEDLO C=CC[N@H+](CCOC)Cc1ccc(OC)c(OC)c1Br ZINC000191107982 455444107 /nfs/dbraw/zinc/44/41/07/455444107.db2.gz FSWNBCRZXDNRDG-UHFFFAOYSA-N 1 2 344.249 3.101 20 30 EGEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000191128752 455448748 /nfs/dbraw/zinc/44/87/48/455448748.db2.gz ZVADLFIJFSXWIL-LLVKDONJSA-N 1 2 331.243 3.455 20 30 EGEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000191128752 455448752 /nfs/dbraw/zinc/44/87/52/455448752.db2.gz ZVADLFIJFSXWIL-LLVKDONJSA-N 1 2 331.243 3.455 20 30 EGEDLO C=C[C@@](C)(CC)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000191169432 455456473 /nfs/dbraw/zinc/45/64/73/455456473.db2.gz LPEXQIJABFBIAV-IBGZPJMESA-N 1 2 327.428 3.423 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN([C@@H](C)c2ccsc2)CC1 ZINC000185495851 455567557 /nfs/dbraw/zinc/56/75/57/455567557.db2.gz PVNRNDUFNDKNIB-IRXDYDNUSA-N 1 2 347.528 3.016 20 30 EGEDLO CC(C)(C)c1ncc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cn1 ZINC000284489892 455694473 /nfs/dbraw/zinc/69/44/73/455694473.db2.gz WZBNSLUYKKAXBL-LJQANCHMSA-N 1 2 349.482 3.157 20 30 EGEDLO C[C@@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccc(C#N)cc1 ZINC000186435534 455767903 /nfs/dbraw/zinc/76/79/03/455767903.db2.gz CWWKHMHMRQFRBI-CQSZACIVSA-N 1 2 333.395 3.106 20 30 EGEDLO CCc1ccc(C#CC(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000293019966 455770814 /nfs/dbraw/zinc/77/08/14/455770814.db2.gz LGOMONMUDHJOCV-UHFFFAOYSA-N 1 2 349.356 3.018 20 30 EGEDLO N#Cc1ccccc1/C=C/c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000278196144 455784149 /nfs/dbraw/zinc/78/41/49/455784149.db2.gz WCVUANNKUNNCMH-IBHATUTGSA-N 1 2 336.395 3.037 20 30 EGEDLO N#Cc1ccccc1/C=C/c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000278196144 455784156 /nfs/dbraw/zinc/78/41/56/455784156.db2.gz WCVUANNKUNNCMH-IBHATUTGSA-N 1 2 336.395 3.037 20 30 EGEDLO CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+](CC)C[C@H](C)C#N ZINC000253357825 455835224 /nfs/dbraw/zinc/83/52/24/455835224.db2.gz FZYWMAYKBKMQHP-WBVHZDCISA-N 1 2 331.460 3.134 20 30 EGEDLO CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+](CC)C[C@H](C)C#N ZINC000253357825 455835225 /nfs/dbraw/zinc/83/52/25/455835225.db2.gz FZYWMAYKBKMQHP-WBVHZDCISA-N 1 2 331.460 3.134 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000253385428 455836773 /nfs/dbraw/zinc/83/67/73/455836773.db2.gz SPCINFJWRHEXLP-KBPBESRZSA-N 1 2 337.489 3.295 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000253385428 455836779 /nfs/dbraw/zinc/83/67/79/455836779.db2.gz SPCINFJWRHEXLP-KBPBESRZSA-N 1 2 337.489 3.295 20 30 EGEDLO Cc1nnc([C@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)s1 ZINC000285427186 455843948 /nfs/dbraw/zinc/84/39/48/455843948.db2.gz HCDQOHGLXGOYSS-NSHDSACASA-N 1 2 346.431 3.462 20 30 EGEDLO Cc1ccc2[nH+]c(CNC(=O)NC3(c4cccc(C#N)c4)CC3)cn2c1 ZINC000269611505 455849873 /nfs/dbraw/zinc/84/98/73/455849873.db2.gz BDZUDQAXNJQGMM-UHFFFAOYSA-N 1 2 345.406 3.003 20 30 EGEDLO CCn1cc([C@H](C)[NH2+]Cc2ccc(Br)cc2C#N)cn1 ZINC000296121778 455869491 /nfs/dbraw/zinc/86/94/91/455869491.db2.gz QYNSFMOQTRYNPD-NSHDSACASA-N 1 2 333.233 3.388 20 30 EGEDLO CC(C)c1nnc([C@H]2C[N@@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)o1 ZINC000279926415 455878085 /nfs/dbraw/zinc/87/80/85/455878085.db2.gz FSDJFJTYOZDWTL-XJKSGUPXSA-N 1 2 326.400 3.199 20 30 EGEDLO CC(C)c1nnc([C@H]2C[N@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)o1 ZINC000279926415 455878088 /nfs/dbraw/zinc/87/80/88/455878088.db2.gz FSDJFJTYOZDWTL-XJKSGUPXSA-N 1 2 326.400 3.199 20 30 EGEDLO N#CCc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000270251613 455913053 /nfs/dbraw/zinc/91/30/53/455913053.db2.gz VABSXUJHQIZGPY-QPJJXVBHSA-N 1 2 345.446 3.224 20 30 EGEDLO C=CCC[C@@H](C(=O)N1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000187824602 455958326 /nfs/dbraw/zinc/95/83/26/455958326.db2.gz STCYZSTYDGICPH-OAQYLSRUSA-N 1 2 349.478 3.476 20 30 EGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000272484752 455966961 /nfs/dbraw/zinc/96/69/61/455966961.db2.gz AFUUSUNPDTUHEP-KBPBESRZSA-N 1 2 339.399 3.112 20 30 EGEDLO C#CCOc1ccccc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000188133573 456005328 /nfs/dbraw/zinc/00/53/28/456005328.db2.gz KJBWMRPYWURXRY-NVXWUHKLSA-N 1 2 338.411 3.010 20 30 EGEDLO C[N@@H+](Cc1cn2ccccc2c1C#N)C[C@@H]1COc2ccccc2O1 ZINC000198699068 456011701 /nfs/dbraw/zinc/01/17/01/456011701.db2.gz PYTRGBRZJBPCRM-MRXNPFEDSA-N 1 2 333.391 3.083 20 30 EGEDLO C[N@H+](Cc1cn2ccccc2c1C#N)C[C@@H]1COc2ccccc2O1 ZINC000198699068 456011705 /nfs/dbraw/zinc/01/17/05/456011705.db2.gz PYTRGBRZJBPCRM-MRXNPFEDSA-N 1 2 333.391 3.083 20 30 EGEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000286440171 456047403 /nfs/dbraw/zinc/04/74/03/456047403.db2.gz JHBFRJVHWBVBEZ-OAHLLOKOSA-N 1 2 345.748 3.119 20 30 EGEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000286440171 456047406 /nfs/dbraw/zinc/04/74/06/456047406.db2.gz JHBFRJVHWBVBEZ-OAHLLOKOSA-N 1 2 345.748 3.119 20 30 EGEDLO N#Cc1cc(Br)ccc1C[NH2+][C@@H](CCO)c1ccco1 ZINC000287588595 456073439 /nfs/dbraw/zinc/07/34/39/456073439.db2.gz CQZRJMQZODYEHA-AWEZNQCLSA-N 1 2 335.201 3.127 20 30 EGEDLO Cc1[nH+]c2ccc(Br)cc2c(N2CCO[C@H](C#N)C2)c1C ZINC000301393376 456106221 /nfs/dbraw/zinc/10/62/21/456106221.db2.gz JFUKMQCPTVUGRO-CYBMUJFWSA-N 1 2 346.228 3.343 20 30 EGEDLO C#C[C@H](NC(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21)C(C)C ZINC000281034831 456116870 /nfs/dbraw/zinc/11/68/70/456116870.db2.gz IHDJBTUUWGVWMF-IRXDYDNUSA-N 1 2 338.455 3.177 20 30 EGEDLO CC[N@H+](CCC#N)Cc1cc(OC)c(OCC(F)F)c(OC)c1 ZINC000289229852 456119392 /nfs/dbraw/zinc/11/93/92/456119392.db2.gz YKVKTNGJPLXGEC-UHFFFAOYSA-N 1 2 328.359 3.083 20 30 EGEDLO CC[N@@H+](CCC#N)Cc1cc(OC)c(OCC(F)F)c(OC)c1 ZINC000289229852 456119397 /nfs/dbraw/zinc/11/93/97/456119397.db2.gz YKVKTNGJPLXGEC-UHFFFAOYSA-N 1 2 328.359 3.083 20 30 EGEDLO C#CC[C@]1(C(=O)Nc2cc[nH+]cc2C)CCCN1C(=O)OC(C)(C)C ZINC000289364236 456122928 /nfs/dbraw/zinc/12/29/28/456122928.db2.gz KSEDVGQZRYUTQX-LJQANCHMSA-N 1 2 343.427 3.122 20 30 EGEDLO Cc1ccc2[nH+]c(COc3ccccc3C(=O)NCCCC#N)cn2c1 ZINC000272984995 456135860 /nfs/dbraw/zinc/13/58/60/456135860.db2.gz DQSIDYYALZVMKC-UHFFFAOYSA-N 1 2 348.406 3.255 20 30 EGEDLO C#C[C@H](NC(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1)C(C)C ZINC000281151357 456148545 /nfs/dbraw/zinc/14/85/45/456148545.db2.gz VYMZSHPJZWKNDB-KRWDZBQOSA-N 1 2 338.455 3.349 20 30 EGEDLO Cn1cc(C[N@@H+]2CCCC[C@H]2c2nnc(C3CCC3)o2)cc1C#N ZINC000289910576 456177938 /nfs/dbraw/zinc/17/79/38/456177938.db2.gz UYQKBIZDMWBZQG-INIZCTEOSA-N 1 2 325.416 3.274 20 30 EGEDLO Cn1cc(C[N@H+]2CCCC[C@H]2c2nnc(C3CCC3)o2)cc1C#N ZINC000289910576 456177947 /nfs/dbraw/zinc/17/79/47/456177947.db2.gz UYQKBIZDMWBZQG-INIZCTEOSA-N 1 2 325.416 3.274 20 30 EGEDLO COc1ccc(C[NH2+][C@H](C)c2nnc(C)s2)cc1OCCCC#N ZINC000273673027 456241919 /nfs/dbraw/zinc/24/19/19/456241919.db2.gz ZNHWRYFUFUMDEF-GFCCVEGCSA-N 1 2 346.456 3.389 20 30 EGEDLO CC[C@@H](CC#N)NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000274684643 456263136 /nfs/dbraw/zinc/26/31/36/456263136.db2.gz XZLIAURYBZWRPZ-STQMWFEESA-N 1 2 335.477 3.189 20 30 EGEDLO CC[C@@H](CC#N)NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000274684643 456263144 /nfs/dbraw/zinc/26/31/44/456263144.db2.gz XZLIAURYBZWRPZ-STQMWFEESA-N 1 2 335.477 3.189 20 30 EGEDLO CC(C)CCN(CCC#N)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000352759748 456282537 /nfs/dbraw/zinc/28/25/37/456282537.db2.gz XSEZECNRWVSKHU-UHFFFAOYSA-N 1 2 340.431 3.120 20 30 EGEDLO N#CCC[N@@H+](Cc1cn2ccc(Br)cc2n1)CC1CC1 ZINC000290396274 456316065 /nfs/dbraw/zinc/31/60/65/456316065.db2.gz JWWPDSGOHLWVGX-UHFFFAOYSA-N 1 2 333.233 3.222 20 30 EGEDLO N#CCC[N@H+](Cc1cn2ccc(Br)cc2n1)CC1CC1 ZINC000290396274 456316071 /nfs/dbraw/zinc/31/60/71/456316071.db2.gz JWWPDSGOHLWVGX-UHFFFAOYSA-N 1 2 333.233 3.222 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(C)c(C(=O)OC)o1 ZINC000352806823 456325205 /nfs/dbraw/zinc/32/52/05/456325205.db2.gz VWKVJHQILMURQD-UHFFFAOYSA-N 1 2 333.384 3.038 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(C)c(C(=O)OC)o1 ZINC000352806823 456325214 /nfs/dbraw/zinc/32/52/14/456325214.db2.gz VWKVJHQILMURQD-UHFFFAOYSA-N 1 2 333.384 3.038 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc([N+](=O)[O-])cc1F ZINC000352815766 456332008 /nfs/dbraw/zinc/33/20/08/456332008.db2.gz NJJXXAOEERHQJT-UHFFFAOYSA-N 1 2 334.347 3.398 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc([N+](=O)[O-])cc1F ZINC000352815766 456332011 /nfs/dbraw/zinc/33/20/11/456332011.db2.gz NJJXXAOEERHQJT-UHFFFAOYSA-N 1 2 334.347 3.398 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N1CCCCC1 ZINC000352912504 456407682 /nfs/dbraw/zinc/40/76/82/456407682.db2.gz DXLZUKCOMFGNBO-KRWDZBQOSA-N 1 2 332.492 3.243 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N1CCCCC1 ZINC000352912504 456407686 /nfs/dbraw/zinc/40/76/86/456407686.db2.gz DXLZUKCOMFGNBO-KRWDZBQOSA-N 1 2 332.492 3.243 20 30 EGEDLO Cc1[nH]ncc1C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000340443782 456464807 /nfs/dbraw/zinc/46/48/07/456464807.db2.gz ZCEICPFVGCDJMF-UHFFFAOYSA-N 1 2 332.407 3.459 20 30 EGEDLO CCOC(=O)[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)[C@@H](C)CC ZINC000276516442 456503818 /nfs/dbraw/zinc/50/38/18/456503818.db2.gz UOBJOIXYXYLFCI-YJBOKZPZSA-N 1 2 331.460 3.104 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000343283646 456506239 /nfs/dbraw/zinc/50/62/39/456506239.db2.gz DGICFHSDPWBPNP-RDJZCZTQSA-N 1 2 341.480 3.430 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000338258740 456736023 /nfs/dbraw/zinc/73/60/23/456736023.db2.gz PNXBCCLKJBEYAF-SFHVURJKSA-N 1 2 339.826 3.307 20 30 EGEDLO C=CCn1cccc1C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000338259890 456738209 /nfs/dbraw/zinc/73/82/09/456738209.db2.gz ZZUHIESUHMCFBL-MRXNPFEDSA-N 1 2 329.831 3.114 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000277238603 456739214 /nfs/dbraw/zinc/73/92/14/456739214.db2.gz ZOLSQMABMUYXGX-LBPRGKRZSA-N 1 2 346.356 3.254 20 30 EGEDLO Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)n1 ZINC000348572060 456773004 /nfs/dbraw/zinc/77/30/04/456773004.db2.gz QXXYPRGBJAYQHR-ZDUSSCGKSA-N 1 2 342.830 3.374 20 30 EGEDLO Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)n1 ZINC000348572060 456773007 /nfs/dbraw/zinc/77/30/07/456773007.db2.gz QXXYPRGBJAYQHR-ZDUSSCGKSA-N 1 2 342.830 3.374 20 30 EGEDLO C=CCCC[C@@H](C)NC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000343798766 456773368 /nfs/dbraw/zinc/77/33/68/456773368.db2.gz WIFPUGWYRXZQKB-GFCCVEGCSA-N 1 2 332.370 3.332 20 30 EGEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCCSC(C)(C)C)cn2)n1 ZINC000283409999 456774720 /nfs/dbraw/zinc/77/47/20/456774720.db2.gz ORKYAGMPMPUGNT-UHFFFAOYSA-N 1 2 347.488 3.053 20 30 EGEDLO COc1ccc(F)cc1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000301071141 456790041 /nfs/dbraw/zinc/79/00/41/456790041.db2.gz FHHZVLALQVYOCV-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO Cc1ccc(NC(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)s1 ZINC000328958593 456801698 /nfs/dbraw/zinc/80/16/98/456801698.db2.gz ONTFEAWQIHEYSA-CQSZACIVSA-N 1 2 334.445 3.284 20 30 EGEDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)NC(=O)NC1CCCCC1)CCO2 ZINC000329039398 456819484 /nfs/dbraw/zinc/81/94/84/456819484.db2.gz CZMYZRIJDLPTAZ-UHFFFAOYSA-N 1 2 345.443 3.393 20 30 EGEDLO Cc1ccc2c(c1)C[N@H+](CC(=O)NC(=O)NC1CCCCC1)CCO2 ZINC000329039398 456819492 /nfs/dbraw/zinc/81/94/92/456819492.db2.gz CZMYZRIJDLPTAZ-UHFFFAOYSA-N 1 2 345.443 3.393 20 30 EGEDLO Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000329071411 456828950 /nfs/dbraw/zinc/82/89/50/456828950.db2.gz NUKSREGOQJVJIZ-LPHOPBHVSA-N 1 2 332.444 3.161 20 30 EGEDLO Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000329071411 456828956 /nfs/dbraw/zinc/82/89/56/456828956.db2.gz NUKSREGOQJVJIZ-LPHOPBHVSA-N 1 2 332.444 3.161 20 30 EGEDLO Cc1nsc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)c1C#N ZINC000341359639 456854530 /nfs/dbraw/zinc/85/45/30/456854530.db2.gz RPZCLDQGBAMCJN-UHFFFAOYSA-N 1 2 338.889 3.360 20 30 EGEDLO CCn1cc[nH+]c1[C@@H](NC(=O)N1CCC(C)(C)CC1)C1CCOCC1 ZINC000329250519 456860818 /nfs/dbraw/zinc/86/08/18/456860818.db2.gz BAXXZXSTMWNJHM-INIZCTEOSA-N 1 2 348.491 3.407 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1C[C@H](C)C[C@@H](C)C1)C1CCOCC1 ZINC000329337035 456874763 /nfs/dbraw/zinc/87/47/63/456874763.db2.gz MGIXZDWGFHDPRN-BFYDXBDKSA-N 1 2 348.491 3.263 20 30 EGEDLO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329337333 456874815 /nfs/dbraw/zinc/87/48/15/456874815.db2.gz MLKFDSPHSIESFO-ZDUSSCGKSA-N 1 2 332.448 3.041 20 30 EGEDLO C[C@@H]1CCN(C([O-])=[NH+]c2cnc3c(c2)CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000329423277 456887299 /nfs/dbraw/zinc/88/72/99/456887299.db2.gz FEWVIILOGUUCFP-RDTXWAMCSA-N 1 2 339.443 3.286 20 30 EGEDLO C[C@@H]1CCN(C(=O)Nc2cnc3c(c2)CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000329423277 456887302 /nfs/dbraw/zinc/88/73/02/456887302.db2.gz FEWVIILOGUUCFP-RDTXWAMCSA-N 1 2 339.443 3.286 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1C[C@H](C)CC[C@@H]1C)C1CCOCC1 ZINC000329417957 456887654 /nfs/dbraw/zinc/88/76/54/456887654.db2.gz DOZSNRKAGHJBDB-HLLBOEOZSA-N 1 2 348.491 3.405 20 30 EGEDLO Cc1nnc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)NCc3ccc(C)cc3)C2)[nH]1 ZINC000329491188 456899096 /nfs/dbraw/zinc/89/90/96/456899096.db2.gz VIDTYDKJTKNAKR-YOEHRIQHSA-N 1 2 341.459 3.146 20 30 EGEDLO Cc1nnc([C@H]2CCC[N@H+]([C@@H](C)C(=O)NCc3ccc(C)cc3)C2)[nH]1 ZINC000329491188 456899101 /nfs/dbraw/zinc/89/91/01/456899101.db2.gz VIDTYDKJTKNAKR-YOEHRIQHSA-N 1 2 341.459 3.146 20 30 EGEDLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@@H](C)C(=O)NCc3ccc(C)cc3)C2)n1 ZINC000329491188 456899105 /nfs/dbraw/zinc/89/91/05/456899105.db2.gz VIDTYDKJTKNAKR-YOEHRIQHSA-N 1 2 341.459 3.146 20 30 EGEDLO Cc1n[nH]c([C@H]2CCC[N@H+]([C@@H](C)C(=O)NCc3ccc(C)cc3)C2)n1 ZINC000329491188 456899110 /nfs/dbraw/zinc/89/91/10/456899110.db2.gz VIDTYDKJTKNAKR-YOEHRIQHSA-N 1 2 341.459 3.146 20 30 EGEDLO Cc1nc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)NCc3ccc(C)cc3)C2)n[nH]1 ZINC000329491188 456899113 /nfs/dbraw/zinc/89/91/13/456899113.db2.gz VIDTYDKJTKNAKR-YOEHRIQHSA-N 1 2 341.459 3.146 20 30 EGEDLO Cc1nc([C@H]2CCC[N@H+]([C@@H](C)C(=O)NCc3ccc(C)cc3)C2)n[nH]1 ZINC000329491188 456899118 /nfs/dbraw/zinc/89/91/18/456899118.db2.gz VIDTYDKJTKNAKR-YOEHRIQHSA-N 1 2 341.459 3.146 20 30 EGEDLO CCN1CCOC[C@H]1C(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000329519465 456903214 /nfs/dbraw/zinc/90/32/14/456903214.db2.gz QBHYHJYDMCQURF-RDJZCZTQSA-N 1 2 346.475 3.078 20 30 EGEDLO CC1(C)C[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)c2ccc(F)cc2O1 ZINC000329541012 456906163 /nfs/dbraw/zinc/90/61/63/456906163.db2.gz DGKFLSOUKDGTJP-OAHLLOKOSA-N 1 2 344.390 3.054 20 30 EGEDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC[C@@H]1CCCCS1 ZINC000329684162 456927354 /nfs/dbraw/zinc/92/73/54/456927354.db2.gz ZKQPNTMTRRAFLS-INIZCTEOSA-N 1 2 348.516 3.361 20 30 EGEDLO CC1(C)C[N@H+](CC(=O)Nc2nc3c(s2)CCC3)[C@H]1[C@H]1CCCO1 ZINC000329808160 456943432 /nfs/dbraw/zinc/94/34/32/456943432.db2.gz BPLNMZYQWHIUSG-DOMZBBRYSA-N 1 2 335.473 3.109 20 30 EGEDLO CC1(C)C[N@@H+](CC(=O)Nc2nc3c(s2)CCC3)[C@H]1[C@H]1CCCO1 ZINC000329808160 456943434 /nfs/dbraw/zinc/94/34/34/456943434.db2.gz BPLNMZYQWHIUSG-DOMZBBRYSA-N 1 2 335.473 3.109 20 30 EGEDLO CCO[C@@H]1C[C@@H](NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C12CCCC2 ZINC000329817225 456945007 /nfs/dbraw/zinc/94/50/07/456945007.db2.gz WMPVKPKIZAMOBZ-HZPDHXFCSA-N 1 2 346.475 3.241 20 30 EGEDLO COc1ccccc1OCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341797760 456949309 /nfs/dbraw/zinc/94/93/09/456949309.db2.gz ISYGRRVTSZLXAE-HXUWFJFHSA-N 1 2 338.407 3.019 20 30 EGEDLO COc1ccccc1OCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341797760 456949314 /nfs/dbraw/zinc/94/93/14/456949314.db2.gz ISYGRRVTSZLXAE-HXUWFJFHSA-N 1 2 338.407 3.019 20 30 EGEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000349374290 456956676 /nfs/dbraw/zinc/95/66/76/456956676.db2.gz QUIMXRVQFJXZDC-RDJZCZTQSA-N 1 2 340.475 3.475 20 30 EGEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000349374290 456956681 /nfs/dbraw/zinc/95/66/81/456956681.db2.gz QUIMXRVQFJXZDC-RDJZCZTQSA-N 1 2 340.475 3.475 20 30 EGEDLO Cc1cccc2c1OCC[C@H]2NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329929159 456962655 /nfs/dbraw/zinc/96/26/55/456962655.db2.gz NFBAYOXHXOFOJT-MRXNPFEDSA-N 1 2 340.427 3.335 20 30 EGEDLO Cc1cccc2c1OCC[C@H]2NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329929159 456962656 /nfs/dbraw/zinc/96/26/56/456962656.db2.gz NFBAYOXHXOFOJT-MRXNPFEDSA-N 1 2 340.427 3.335 20 30 EGEDLO Cc1cn2cc(NC(=O)c3c(C)nc(C(C)(C)C)[nH]c3=O)ccc2[nH+]1 ZINC000329954353 456966759 /nfs/dbraw/zinc/96/67/59/456966759.db2.gz JYFFJCOYQNXWBC-UHFFFAOYSA-N 1 2 339.399 3.381 20 30 EGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000349427998 456967817 /nfs/dbraw/zinc/96/78/17/456967817.db2.gz JUXBSYKKJOLTCS-KBPBESRZSA-N 1 2 340.452 3.336 20 30 EGEDLO N#C[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)c1cccc(C(F)(F)F)c1 ZINC000349484075 456974844 /nfs/dbraw/zinc/97/48/44/456974844.db2.gz KNCHCGWHDQBXHT-CQSZACIVSA-N 1 2 344.296 3.348 20 30 EGEDLO O=C(NC1CCC(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1)C1CC1 ZINC000330027508 456976192 /nfs/dbraw/zinc/97/61/92/456976192.db2.gz NFRDBVJMOMHIER-PCKAHOCUSA-N 1 2 344.459 3.041 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CCCc3ccc(F)cc32)C1 ZINC000330028794 456976784 /nfs/dbraw/zinc/97/67/84/456976784.db2.gz PEOWNPQRPXOCIQ-PBHICJAKSA-N 1 2 342.418 3.340 20 30 EGEDLO C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1[nH+]ccn1C ZINC000345465258 456979667 /nfs/dbraw/zinc/97/96/67/456979667.db2.gz VRZAHKUFNMBWBM-CQSZACIVSA-N 1 2 337.427 3.176 20 30 EGEDLO O=C(NC[C@@H]1CCC2(CCCCC2)O1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000330103741 456985413 /nfs/dbraw/zinc/98/54/13/456985413.db2.gz ITSOYDWLDZYMFT-SJORKVTESA-N 1 2 346.475 3.143 20 30 EGEDLO [O-]C(=[NH+]C[C@@H]1CCC2(CCCCC2)O1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000330103741 456985415 /nfs/dbraw/zinc/98/54/15/456985415.db2.gz ITSOYDWLDZYMFT-SJORKVTESA-N 1 2 346.475 3.143 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])NCC1CC(F)(F)C1)C2 ZINC000330186717 456998106 /nfs/dbraw/zinc/99/81/06/456998106.db2.gz JZBKOKYQHYMQDZ-GFCCVEGCSA-N 1 2 340.418 3.044 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC([O-])=[NH+]CC1CC(F)(F)C1)C2 ZINC000330186717 456998111 /nfs/dbraw/zinc/99/81/11/456998111.db2.gz JZBKOKYQHYMQDZ-GFCCVEGCSA-N 1 2 340.418 3.044 20 30 EGEDLO CC1(C)C[N@H+](CCNC(=O)Nc2ccc(C3CCC3)cc2)CCO1 ZINC000330209162 457003345 /nfs/dbraw/zinc/00/33/45/457003345.db2.gz HHRHLOBHOIPJIE-UHFFFAOYSA-N 1 2 331.460 3.391 20 30 EGEDLO CC1(C)C[N@@H+](CCNC(=O)Nc2ccc(C3CCC3)cc2)CCO1 ZINC000330209162 457003352 /nfs/dbraw/zinc/00/33/52/457003352.db2.gz HHRHLOBHOIPJIE-UHFFFAOYSA-N 1 2 331.460 3.391 20 30 EGEDLO O=C(Nc1ccc2nnc(C3CCC3)n2c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000330306312 457024637 /nfs/dbraw/zinc/02/46/37/457024637.db2.gz LFSMIHHDXCVJSN-CYBMUJFWSA-N 1 2 336.399 3.044 20 30 EGEDLO C[C@H](NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1)C1CCCCC1 ZINC000330322404 457027118 /nfs/dbraw/zinc/02/71/18/457027118.db2.gz GTINSTQWQWILRN-LXZKKBNFSA-N 1 2 334.464 3.113 20 30 EGEDLO CCc1nc(C)c(NC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)s1 ZINC000330358815 457034233 /nfs/dbraw/zinc/03/42/33/457034233.db2.gz VITJQZFRRYPLQR-UHFFFAOYSA-N 1 2 347.488 3.475 20 30 EGEDLO C=CCOc1ccc(C(=O)NCc2ccc(N(CC)CC)[nH+]c2)cc1 ZINC000339292769 457044998 /nfs/dbraw/zinc/04/49/98/457044998.db2.gz ABHVQKHGERTHER-UHFFFAOYSA-N 1 2 339.439 3.423 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000341998721 457050788 /nfs/dbraw/zinc/05/07/88/457050788.db2.gz VJSUGVOQDQBTSH-UHFFFAOYSA-N 1 2 329.263 3.263 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1 ZINC000341999827 457052938 /nfs/dbraw/zinc/05/29/38/457052938.db2.gz VLWGOHVOPJTCQY-UHFFFAOYSA-N 1 2 341.480 3.486 20 30 EGEDLO Cc1nc(C(C)(C)C)sc1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000330625250 457062210 /nfs/dbraw/zinc/06/22/10/457062210.db2.gz SSBWCIHTXNOINR-YPMHNXCESA-N 1 2 339.505 3.163 20 30 EGEDLO N#Cc1ccncc1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000342046394 457078610 /nfs/dbraw/zinc/07/86/10/457078610.db2.gz VNUPWBCPJRCILC-UHFFFAOYSA-N 1 2 343.390 3.405 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000339456225 457124674 /nfs/dbraw/zinc/12/46/74/457124674.db2.gz WLALRCQUBVWZSE-BBRMVZONSA-N 1 2 348.409 3.007 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000339456225 457124680 /nfs/dbraw/zinc/12/46/80/457124680.db2.gz WLALRCQUBVWZSE-BBRMVZONSA-N 1 2 348.409 3.007 20 30 EGEDLO N#Cc1cc(Oc2ccc(NC(=O)CCc3c[nH+]c[nH]3)cc2)ccn1 ZINC000356987752 457259532 /nfs/dbraw/zinc/25/95/32/457259532.db2.gz RCPUWWYHFPJJHR-UHFFFAOYSA-N 1 2 333.351 3.040 20 30 EGEDLO N#Cc1cc(Oc2ccc(NC(=O)CCc3c[nH]c[nH+]3)cc2)ccn1 ZINC000356987752 457259536 /nfs/dbraw/zinc/25/95/36/457259536.db2.gz RCPUWWYHFPJJHR-UHFFFAOYSA-N 1 2 333.351 3.040 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cccs1 ZINC000351419792 457284496 /nfs/dbraw/zinc/28/44/96/457284496.db2.gz QUHPKHPYDZKGIQ-CABCVRRESA-N 1 2 347.459 3.078 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cccs1 ZINC000351419792 457284500 /nfs/dbraw/zinc/28/45/00/457284500.db2.gz QUHPKHPYDZKGIQ-CABCVRRESA-N 1 2 347.459 3.078 20 30 EGEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cc2c(cc1Br)OCCO2 ZINC000332188526 457324121 /nfs/dbraw/zinc/32/41/21/457324121.db2.gz YNVAKKFKDGKJFM-ZWNOBZJWSA-N 1 2 337.217 3.002 20 30 EGEDLO C=CCCCCNC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000352178495 457344791 /nfs/dbraw/zinc/34/47/91/457344791.db2.gz NRZQIGFQDMALBN-UHFFFAOYSA-N 1 2 339.395 3.285 20 30 EGEDLO C=CCOc1cccc(C[N@H+]2CCOC[C@H]2c2c(C)n[nH]c2C)c1 ZINC000378366642 457394085 /nfs/dbraw/zinc/39/40/85/457394085.db2.gz BILGDUDLMXSHCD-SFHVURJKSA-N 1 2 327.428 3.165 20 30 EGEDLO C=CCOc1cccc(C[N@@H+]2CCOC[C@H]2c2c(C)n[nH]c2C)c1 ZINC000378366642 457394091 /nfs/dbraw/zinc/39/40/91/457394091.db2.gz BILGDUDLMXSHCD-SFHVURJKSA-N 1 2 327.428 3.165 20 30 EGEDLO CCC[C@@H](NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1)c1ccccc1 ZINC000352492386 457410191 /nfs/dbraw/zinc/41/01/91/457410191.db2.gz XLYKBKMLJRMAKB-DOTOQJQBSA-N 1 2 331.435 3.360 20 30 EGEDLO COC(=O)c1cnc([C@@H](C)[NH2+]CC#Cc2cccc(Cl)c2)s1 ZINC000425481933 457573179 /nfs/dbraw/zinc/57/31/79/457573179.db2.gz GPOGCHVJKKKCIH-LLVKDONJSA-N 1 2 334.828 3.285 20 30 EGEDLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000361139092 457608838 /nfs/dbraw/zinc/60/88/38/457608838.db2.gz FTBSCZJTAZFYHQ-MAUKXSAKSA-N 1 2 330.428 3.143 20 30 EGEDLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000361139092 457608841 /nfs/dbraw/zinc/60/88/41/457608841.db2.gz FTBSCZJTAZFYHQ-MAUKXSAKSA-N 1 2 330.428 3.143 20 30 EGEDLO N#CCc1ccc(C(=O)N2CC[NH2+][C@H](c3ccccc3Cl)C2)cc1 ZINC000374874353 457725033 /nfs/dbraw/zinc/72/50/33/457725033.db2.gz JUUGEEUHMQWDGV-SFHVURJKSA-N 1 2 339.826 3.193 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000365213757 457731778 /nfs/dbraw/zinc/73/17/78/457731778.db2.gz BLATWELPVYJAFE-WMZOPIPTSA-N 1 2 335.398 3.156 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000365213757 457731782 /nfs/dbraw/zinc/73/17/82/457731782.db2.gz BLATWELPVYJAFE-WMZOPIPTSA-N 1 2 335.398 3.156 20 30 EGEDLO C[N@H+](CC(=O)NCC1(c2ccccc2)CCCC1)CC(C)(C)C#N ZINC000433302850 457803524 /nfs/dbraw/zinc/80/35/24/457803524.db2.gz YSLDVUJEXKPBHX-UHFFFAOYSA-N 1 2 327.472 3.096 20 30 EGEDLO C[N@@H+](CC(=O)NCC1(c2ccccc2)CCCC1)CC(C)(C)C#N ZINC000433302850 457803526 /nfs/dbraw/zinc/80/35/26/457803526.db2.gz YSLDVUJEXKPBHX-UHFFFAOYSA-N 1 2 327.472 3.096 20 30 EGEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000366790847 457899607 /nfs/dbraw/zinc/89/96/07/457899607.db2.gz BTXMYVARWHXEBK-UHFFFAOYSA-N 1 2 334.423 3.047 20 30 EGEDLO N#CC(CC[N@@H+]1CCc2nn[nH]c2C1)(c1ccccc1)c1ccccc1 ZINC000444702454 457948030 /nfs/dbraw/zinc/94/80/30/457948030.db2.gz IOXARDAJTVLESG-UHFFFAOYSA-N 1 2 343.434 3.063 20 30 EGEDLO N#CC(CC[N@H+]1CCc2nn[nH]c2C1)(c1ccccc1)c1ccccc1 ZINC000444702454 457948038 /nfs/dbraw/zinc/94/80/38/457948038.db2.gz IOXARDAJTVLESG-UHFFFAOYSA-N 1 2 343.434 3.063 20 30 EGEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000362050014 458025785 /nfs/dbraw/zinc/02/57/85/458025785.db2.gz KJEPWMWSDHOFAR-QGZVFWFLSA-N 1 2 344.455 3.452 20 30 EGEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000362050014 458025790 /nfs/dbraw/zinc/02/57/90/458025790.db2.gz KJEPWMWSDHOFAR-QGZVFWFLSA-N 1 2 344.455 3.452 20 30 EGEDLO CC(C)(C#N)CCCC[N@@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000375718283 458036612 /nfs/dbraw/zinc/03/66/12/458036612.db2.gz ILKOADABVDMHPQ-UHFFFAOYSA-N 1 2 331.435 3.190 20 30 EGEDLO CC(C)(C#N)CCCC[N@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000375718283 458036618 /nfs/dbraw/zinc/03/66/18/458036618.db2.gz ILKOADABVDMHPQ-UHFFFAOYSA-N 1 2 331.435 3.190 20 30 EGEDLO Cc1nc(N2CCC(Oc3ccc(C#N)cc3F)CC2)c(C)c(C)[nH+]1 ZINC000376210535 458235998 /nfs/dbraw/zinc/23/59/98/458235998.db2.gz ZXRQCFKIORJAGQ-UHFFFAOYSA-N 1 2 340.402 3.460 20 30 EGEDLO C#C[C@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)c1ccc(Cl)cc1F ZINC000376214492 458237565 /nfs/dbraw/zinc/23/75/65/458237565.db2.gz XMEHVYYCQMJESM-JSGCOSHPSA-N 1 2 331.778 3.113 20 30 EGEDLO C#C[C@H](NC(=O)[C@H]1CCCc2[nH]c[nH+]c21)c1ccc(Cl)cc1F ZINC000376214492 458237570 /nfs/dbraw/zinc/23/75/70/458237570.db2.gz XMEHVYYCQMJESM-JSGCOSHPSA-N 1 2 331.778 3.113 20 30 EGEDLO CC(C)(C#N)CCCC[S@@](=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000436109762 458253594 /nfs/dbraw/zinc/25/35/94/458253594.db2.gz QYDCTOWZAVOKFK-JOCHJYFZSA-N 1 2 335.395 3.414 20 30 EGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000413583598 458303999 /nfs/dbraw/zinc/30/39/99/458303999.db2.gz BCNYILBAINUZHZ-RDJZCZTQSA-N 1 2 326.444 3.451 20 30 EGEDLO C=CCOc1ccc(C[NH2+][C@H](C)c2ncc(C(=O)OC)s2)cc1 ZINC000414123315 458315279 /nfs/dbraw/zinc/31/52/79/458315279.db2.gz BWRYBFSWRAUQHC-GFCCVEGCSA-N 1 2 332.425 3.345 20 30 EGEDLO N#CCCCOc1cccc(C[NH2+]Cc2nnc(C3CC3)s2)c1 ZINC000414557090 458324676 /nfs/dbraw/zinc/32/46/76/458324676.db2.gz PEVMJYQXIHEUDY-UHFFFAOYSA-N 1 2 328.441 3.388 20 30 EGEDLO C=CCOc1ccc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000429488072 458337627 /nfs/dbraw/zinc/33/76/27/458337627.db2.gz IRMSJNNCEBOYHP-UHFFFAOYSA-N 1 2 325.412 3.056 20 30 EGEDLO Cc1cc[nH+]c(C)c1NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000376673068 458366416 /nfs/dbraw/zinc/36/64/16/458366416.db2.gz NVTAHUVLEWABBQ-QGZVFWFLSA-N 1 2 336.395 3.176 20 30 EGEDLO C=CCC(C)(C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000429897913 458381051 /nfs/dbraw/zinc/38/10/51/458381051.db2.gz FIHMRXXHEYCWKR-UHFFFAOYSA-N 1 2 336.233 3.315 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(-c3ccccc3F)s2)C1=O ZINC000449300752 458422746 /nfs/dbraw/zinc/42/27/46/458422746.db2.gz FMNMGIIGLHGKME-INIZCTEOSA-N 1 2 345.443 3.168 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccccc3F)s2)C1=O ZINC000449300752 458422750 /nfs/dbraw/zinc/42/27/50/458422750.db2.gz FMNMGIIGLHGKME-INIZCTEOSA-N 1 2 345.443 3.168 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@@]2(C#N)C[C@H]2C)CC1 ZINC000449966750 458436068 /nfs/dbraw/zinc/43/60/68/458436068.db2.gz RNIAQKMEVBOTPE-HBUWYVDXSA-N 1 2 331.847 3.095 20 30 EGEDLO C=CC[N@H+](CCc1c(Cl)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000450549686 458452081 /nfs/dbraw/zinc/45/20/81/458452081.db2.gz CCFNUCKEWDMKOM-GFCCVEGCSA-N 1 2 348.295 3.211 20 30 EGEDLO C=CC[N@@H+](CCc1c(Cl)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000450549686 458452080 /nfs/dbraw/zinc/45/20/80/458452080.db2.gz CCFNUCKEWDMKOM-GFCCVEGCSA-N 1 2 348.295 3.211 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000451338146 458474106 /nfs/dbraw/zinc/47/41/06/458474106.db2.gz GXPANLIBWYPWQC-APWZRJJASA-N 1 2 339.439 3.099 20 30 EGEDLO CC(C)([NH2+]CC#Cc1cccc(Cl)c1)c1nnc2n1CCCC2 ZINC000451400268 458475986 /nfs/dbraw/zinc/47/59/86/458475986.db2.gz AGBWCAUTIHPCNF-UHFFFAOYSA-N 1 2 328.847 3.144 20 30 EGEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@@H]2Cc2ccccc2)C1=O ZINC000437823518 458498164 /nfs/dbraw/zinc/49/81/64/458498164.db2.gz OWIMGLILSFIUEB-SJORKVTESA-N 1 2 337.448 3.042 20 30 EGEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@@H]2Cc2ccccc2)C1=O ZINC000437823518 458498169 /nfs/dbraw/zinc/49/81/69/458498169.db2.gz OWIMGLILSFIUEB-SJORKVTESA-N 1 2 337.448 3.042 20 30 EGEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452334489 458499750 /nfs/dbraw/zinc/49/97/50/458499750.db2.gz NBMBMIJMMIQONO-SFHVURJKSA-N 1 2 338.411 3.133 20 30 EGEDLO C=CCOc1cccc(C[NH2+][C@H](C)c2ncc(C(=O)OC)s2)c1 ZINC000424200901 458583090 /nfs/dbraw/zinc/58/30/90/458583090.db2.gz NJIUICNQKABPKL-GFCCVEGCSA-N 1 2 332.425 3.345 20 30 EGEDLO C[C@@H](CC(C)(C)C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000455621000 458604516 /nfs/dbraw/zinc/60/45/16/458604516.db2.gz HIMACOPRTKAZNK-INIZCTEOSA-N 1 2 342.487 3.210 20 30 EGEDLO N#C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000455632983 458605404 /nfs/dbraw/zinc/60/54/04/458605404.db2.gz XKAPDMLWCGSOKH-RISCZKNCSA-N 1 2 349.221 3.133 20 30 EGEDLO N#C[C@@H]1N(Cc2cn3cc(Cl)ccc3[nH+]2)CCC[C@]12CCCCO2 ZINC000373835870 458619578 /nfs/dbraw/zinc/61/95/78/458619578.db2.gz IZNUYTMRGVIALW-FUHWJXTLSA-N 1 2 344.846 3.415 20 30 EGEDLO C=C[C@H]1CCCCN1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000494174715 458635913 /nfs/dbraw/zinc/63/59/13/458635913.db2.gz BOMGYHFSXNQYGV-DLBZAZTESA-N 1 2 342.418 3.399 20 30 EGEDLO C=CCn1c(SCc2c[nH+]cn2C)nnc1-c1ccccc1F ZINC000439553700 458724360 /nfs/dbraw/zinc/72/43/60/458724360.db2.gz YUCHEIPLKVRQMU-UHFFFAOYSA-N 1 2 329.404 3.296 20 30 EGEDLO C=CCN1CC[C@@H](N(C)c2cc(C(C)(C)C)[nH+]c(C(C)C)n2)C1=O ZINC000513042896 458789914 /nfs/dbraw/zinc/78/99/14/458789914.db2.gz VEYASYPGWRBLQC-CQSZACIVSA-N 1 2 330.476 3.121 20 30 EGEDLO C=CC[C@@H](C)NC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000441165099 458894731 /nfs/dbraw/zinc/89/47/31/458894731.db2.gz FXRADVFGEMMVSN-SJORKVTESA-N 1 2 345.487 3.266 20 30 EGEDLO C=CC[C@@H](C)NC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000441165099 458894735 /nfs/dbraw/zinc/89/47/35/458894735.db2.gz FXRADVFGEMMVSN-SJORKVTESA-N 1 2 345.487 3.266 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000495958497 459018623 /nfs/dbraw/zinc/01/86/23/459018623.db2.gz WBJACFUNAWUUOA-IBGZPJMESA-N 1 2 347.434 3.434 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000495958497 459018628 /nfs/dbraw/zinc/01/86/28/459018628.db2.gz WBJACFUNAWUUOA-IBGZPJMESA-N 1 2 347.434 3.434 20 30 EGEDLO Cc1cc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000496322381 459150361 /nfs/dbraw/zinc/15/03/61/459150361.db2.gz IILCDXKQHMJVJP-AWEZNQCLSA-N 1 2 330.432 3.003 20 30 EGEDLO CS[C@@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000590750104 459204200 /nfs/dbraw/zinc/20/42/00/459204200.db2.gz KVHWKYGFAYLQLP-GFCCVEGCSA-N 1 2 349.525 3.264 20 30 EGEDLO CS[C@@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000590750104 459204203 /nfs/dbraw/zinc/20/42/03/459204203.db2.gz KVHWKYGFAYLQLP-GFCCVEGCSA-N 1 2 349.525 3.264 20 30 EGEDLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)nc1 ZINC000590754377 459204937 /nfs/dbraw/zinc/20/49/37/459204937.db2.gz CEQUOVPDRICMMF-QGZVFWFLSA-N 1 2 336.439 3.157 20 30 EGEDLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)nc1 ZINC000590754377 459204944 /nfs/dbraw/zinc/20/49/44/459204944.db2.gz CEQUOVPDRICMMF-QGZVFWFLSA-N 1 2 336.439 3.157 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000567995216 459205478 /nfs/dbraw/zinc/20/54/78/459205478.db2.gz DZNSYELQWLFEHC-IFMALSPDSA-N 1 2 349.478 3.363 20 30 EGEDLO CCc1[nH+]c2cc(CNC(=O)C3(C#N)CC(C)C3)ccc2n1C1CC1 ZINC000558929105 459222804 /nfs/dbraw/zinc/22/28/04/459222804.db2.gz UARQILJKKYUXRH-UHFFFAOYSA-N 1 2 336.439 3.490 20 30 EGEDLO C[C@H](NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C)c1cccc(C#N)c1 ZINC000590808480 459228996 /nfs/dbraw/zinc/22/89/96/459228996.db2.gz FTIMNXOOBVRRIT-XJKSGUPXSA-N 1 2 337.427 3.145 20 30 EGEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)C[C@H](CC#N)c2ccccc2)CC1(C)C ZINC000580756225 459264411 /nfs/dbraw/zinc/26/44/11/459264411.db2.gz JRSPFNGYUXXQCZ-FUHWJXTLSA-N 1 2 336.439 3.417 20 30 EGEDLO CC(C)[C@H](C#N)N1CC[NH+](CCSc2ccc(F)cc2F)CC1 ZINC000595399415 459291354 /nfs/dbraw/zinc/29/13/54/459291354.db2.gz WJFMIZNZRNIXQS-INIZCTEOSA-N 1 2 339.455 3.223 20 30 EGEDLO C=CCOC[C@H]([NH2+][C@H]1CCC[C@H]1c1ccccc1Cl)C(=O)OC ZINC000482439915 459308632 /nfs/dbraw/zinc/30/86/32/459308632.db2.gz PSLHUXWRQYMUKA-XIRDDKMYSA-N 1 2 337.847 3.310 20 30 EGEDLO N#CC1(CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)CC1 ZINC000534305228 459310407 /nfs/dbraw/zinc/31/04/07/459310407.db2.gz TTWIGMHXYAXWHA-UHFFFAOYSA-N 1 2 339.468 3.259 20 30 EGEDLO COc1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)sn1 ZINC000595485156 459320146 /nfs/dbraw/zinc/32/01/46/459320146.db2.gz VYNQVUZXVTYVLR-UHFFFAOYSA-N 1 2 347.415 3.206 20 30 EGEDLO COC(=O)c1cnc([C@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)s1 ZINC000591241461 459339491 /nfs/dbraw/zinc/33/94/91/459339491.db2.gz VLBOAKBEDWJWHT-HZMBPMFUSA-N 1 2 327.409 3.139 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000582309428 459344421 /nfs/dbraw/zinc/34/44/21/459344421.db2.gz DMMASYCXMUADQN-INIZCTEOSA-N 1 2 335.407 3.138 20 30 EGEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H](CC#N)C1)c1cccc(Cl)c1 ZINC000595610352 459365226 /nfs/dbraw/zinc/36/52/26/459365226.db2.gz WXECNNRHGBGZCK-HNNXBMFYSA-N 1 2 344.846 3.212 20 30 EGEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@@H](CC#N)C1)c1cccc(Cl)c1 ZINC000595610352 459365228 /nfs/dbraw/zinc/36/52/28/459365228.db2.gz WXECNNRHGBGZCK-HNNXBMFYSA-N 1 2 344.846 3.212 20 30 EGEDLO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595613191 459368163 /nfs/dbraw/zinc/36/81/63/459368163.db2.gz AQLWFRFWTNAEPR-CYBMUJFWSA-N 1 2 335.835 3.221 20 30 EGEDLO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595613191 459368170 /nfs/dbraw/zinc/36/81/70/459368170.db2.gz AQLWFRFWTNAEPR-CYBMUJFWSA-N 1 2 335.835 3.221 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000595619638 459371678 /nfs/dbraw/zinc/37/16/78/459371678.db2.gz DUKNHWBLYYVCKK-ZDUSSCGKSA-N 1 2 326.356 3.375 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000595619638 459371679 /nfs/dbraw/zinc/37/16/79/459371679.db2.gz DUKNHWBLYYVCKK-ZDUSSCGKSA-N 1 2 326.356 3.375 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000595619586 459372649 /nfs/dbraw/zinc/37/26/49/459372649.db2.gz DQXXHMPMXNMCQS-WBMJQRKESA-N 1 2 335.810 3.210 20 30 EGEDLO N#CC[C@H]1CCC[N@H+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000595619586 459372655 /nfs/dbraw/zinc/37/26/55/459372655.db2.gz DQXXHMPMXNMCQS-WBMJQRKESA-N 1 2 335.810 3.210 20 30 EGEDLO C=CCOc1cccc(C[N@@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)c1 ZINC000539903566 459379040 /nfs/dbraw/zinc/37/90/40/459379040.db2.gz PTAXIXOGNXFOEX-AWEZNQCLSA-N 1 2 328.378 3.320 20 30 EGEDLO C=CCOc1cccc(C[N@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)c1 ZINC000539903566 459379044 /nfs/dbraw/zinc/37/90/44/459379044.db2.gz PTAXIXOGNXFOEX-AWEZNQCLSA-N 1 2 328.378 3.320 20 30 EGEDLO Cc1ccc2c(c1)C[N@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)CC2 ZINC000595656566 459386272 /nfs/dbraw/zinc/38/62/72/459386272.db2.gz CCBXCPYWSWXGSR-QGZVFWFLSA-N 1 2 337.448 3.092 20 30 EGEDLO Cc1ccc2c(c1)C[N@@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)CC2 ZINC000595656566 459386276 /nfs/dbraw/zinc/38/62/76/459386276.db2.gz CCBXCPYWSWXGSR-QGZVFWFLSA-N 1 2 337.448 3.092 20 30 EGEDLO N#Cc1cnc(C[NH+]2CCC(c3nc4c(s3)CCCC4)CC2)nc1 ZINC000582721986 459416020 /nfs/dbraw/zinc/41/60/20/459416020.db2.gz HTADWYPXSKRIIK-UHFFFAOYSA-N 1 2 339.468 3.063 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1nc(N)c2ccccc2n1 ZINC000541174888 459432543 /nfs/dbraw/zinc/43/25/43/459432543.db2.gz RMTPNLGQXKYPGP-HKUYNNGSSA-N 1 2 343.434 3.314 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1nc(N)c2ccccc2n1 ZINC000541174888 459432547 /nfs/dbraw/zinc/43/25/47/459432547.db2.gz RMTPNLGQXKYPGP-HKUYNNGSSA-N 1 2 343.434 3.314 20 30 EGEDLO C[N@H+](CCc1ccccc1O)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000541389509 459452242 /nfs/dbraw/zinc/45/22/42/459452242.db2.gz ACVDAAXEMNHQLY-UHFFFAOYSA-N 1 2 343.814 3.030 20 30 EGEDLO C[N@@H+](CCc1ccccc1O)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000541389509 459452248 /nfs/dbraw/zinc/45/22/48/459452248.db2.gz ACVDAAXEMNHQLY-UHFFFAOYSA-N 1 2 343.814 3.030 20 30 EGEDLO C[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccon1 ZINC000541718997 459484004 /nfs/dbraw/zinc/48/40/04/459484004.db2.gz ULTVQTCXDVJXKV-LLVKDONJSA-N 1 2 344.440 3.166 20 30 EGEDLO Cc1ccc([C@@H](CNc2nc(C#N)ccc2C)[NH+]2CCOCC2)cc1 ZINC000596085211 459515176 /nfs/dbraw/zinc/51/51/76/459515176.db2.gz JJYZAXBVDLIYMT-LJQANCHMSA-N 1 2 336.439 3.056 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000488813228 459551803 /nfs/dbraw/zinc/55/18/03/459551803.db2.gz FISRWXKXHAVLSV-AEFFLSMTSA-N 1 2 345.393 3.128 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000488813228 459551810 /nfs/dbraw/zinc/55/18/10/459551810.db2.gz FISRWXKXHAVLSV-AEFFLSMTSA-N 1 2 345.393 3.128 20 30 EGEDLO C[C@@H](c1ccccc1Cl)[N@H+](CC(=O)NC1(C#N)CCC1)C1CC1 ZINC000526135488 459554106 /nfs/dbraw/zinc/55/41/06/459554106.db2.gz RBEJLFQWBWTYPV-ZDUSSCGKSA-N 1 2 331.847 3.428 20 30 EGEDLO C[C@@H](c1ccccc1Cl)[N@@H+](CC(=O)NC1(C#N)CCC1)C1CC1 ZINC000526135488 459554116 /nfs/dbraw/zinc/55/41/16/459554116.db2.gz RBEJLFQWBWTYPV-ZDUSSCGKSA-N 1 2 331.847 3.428 20 30 EGEDLO COC(=O)c1cccc(C[N@H+](C)Cc2ccc(F)c(C)c2)c1C#N ZINC000562471141 459568672 /nfs/dbraw/zinc/56/86/72/459568672.db2.gz VQKCHYQVQBPFEO-UHFFFAOYSA-N 1 2 326.371 3.424 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2ccc(F)c(C)c2)c1C#N ZINC000562471141 459568676 /nfs/dbraw/zinc/56/86/76/459568676.db2.gz VQKCHYQVQBPFEO-UHFFFAOYSA-N 1 2 326.371 3.424 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)/C=C\c1cccc(C#N)c1)c1ccccc1 ZINC000490640360 459583059 /nfs/dbraw/zinc/58/30/59/459583059.db2.gz SOFZKWWGNYUELI-JPMGXVIASA-N 1 2 342.402 3.211 20 30 EGEDLO C#C[C@@H](CCC)NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000491219699 459605834 /nfs/dbraw/zinc/60/58/34/459605834.db2.gz GXBLLASLLDOQKG-WBVHZDCISA-N 1 2 329.444 3.003 20 30 EGEDLO C#CCN(Cc1ccccc1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000491221567 459606939 /nfs/dbraw/zinc/60/69/39/459606939.db2.gz XVZCIKHCSGYLBK-UHFFFAOYSA-N 1 2 329.403 3.207 20 30 EGEDLO CC#CCCNC(=O)c1cccc(OCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000499034284 459617648 /nfs/dbraw/zinc/61/76/48/459617648.db2.gz PQZBHERXCQHTDC-UHFFFAOYSA-N 1 2 347.418 3.365 20 30 EGEDLO C#C[C@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1ccc(Cl)cc1F ZINC000491784958 459673283 /nfs/dbraw/zinc/67/32/83/459673283.db2.gz RMJAVAZVGAGRNK-INIZCTEOSA-N 1 2 341.773 3.160 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@H](C)c2ccc(F)c(F)c2)n1 ZINC000491800595 459675085 /nfs/dbraw/zinc/67/50/85/459675085.db2.gz AJUDDNPTLNCNSK-CQSZACIVSA-N 1 2 333.382 3.004 20 30 EGEDLO C#CCn1ccc(C[N@H+](CCOC)[C@H](C)c2ccc(F)c(F)c2)n1 ZINC000491800595 459675090 /nfs/dbraw/zinc/67/50/90/459675090.db2.gz AJUDDNPTLNCNSK-CQSZACIVSA-N 1 2 333.382 3.004 20 30 EGEDLO CC1(C)C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@@H]1c1cccnc1 ZINC000596591384 459687303 /nfs/dbraw/zinc/68/73/03/459687303.db2.gz IKHKDKWRNSKUBI-RTBURBONSA-N 1 2 346.434 3.142 20 30 EGEDLO CC1(C)C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@@H]1c1cccnc1 ZINC000596591384 459687308 /nfs/dbraw/zinc/68/73/08/459687308.db2.gz IKHKDKWRNSKUBI-RTBURBONSA-N 1 2 346.434 3.142 20 30 EGEDLO C#CCCN(CC(F)(F)F)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000492600512 459712930 /nfs/dbraw/zinc/71/29/30/459712930.db2.gz ZUDUSWAYHHVITK-TWGQIWQCSA-N 1 2 347.340 3.300 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccsc3Cl)CC2)cc1 ZINC000596658995 459718187 /nfs/dbraw/zinc/71/81/87/459718187.db2.gz REGSNOGHVOYPJS-UHFFFAOYSA-N 1 2 345.855 3.231 20 30 EGEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2ccccc2)cc1 ZINC000564859125 459777374 /nfs/dbraw/zinc/77/73/74/459777374.db2.gz WKBGIXAETRHVLR-QGZVFWFLSA-N 1 2 325.412 3.097 20 30 EGEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2ccccc2)cc1 ZINC000564859125 459777377 /nfs/dbraw/zinc/77/73/77/459777377.db2.gz WKBGIXAETRHVLR-QGZVFWFLSA-N 1 2 325.412 3.097 20 30 EGEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc2c(c1)C(C)(C)CC2(C)C ZINC000564867505 459778088 /nfs/dbraw/zinc/77/80/88/459778088.db2.gz GHBWXCQPNBOKPY-INIZCTEOSA-N 1 2 329.488 3.264 20 30 EGEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc2c(c1)C(C)(C)CC2(C)C ZINC000564867505 459778091 /nfs/dbraw/zinc/77/80/91/459778091.db2.gz GHBWXCQPNBOKPY-INIZCTEOSA-N 1 2 329.488 3.264 20 30 EGEDLO C=CCOc1ccc(CNC(=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000565849943 459789060 /nfs/dbraw/zinc/78/90/60/459789060.db2.gz PRCKZQCYYCANLF-UHFFFAOYSA-N 1 2 335.407 3.066 20 30 EGEDLO CCC(C#N)(CC)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2[C@@H](C)CO ZINC000529469400 459829484 /nfs/dbraw/zinc/82/94/84/459829484.db2.gz SCXNWCZIXSAGAW-LBPRGKRZSA-N 1 2 328.416 3.167 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(CCC#N)CC2)c(C#N)c1C ZINC000574807920 459874158 /nfs/dbraw/zinc/87/41/58/459874158.db2.gz IDESSSWZRNSQPX-CYBMUJFWSA-N 1 2 328.416 3.111 20 30 EGEDLO C=CCCC(C)(C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000598521813 459930427 /nfs/dbraw/zinc/93/04/27/459930427.db2.gz KYUOXLCUXBGBOW-UHFFFAOYSA-N 1 2 328.372 3.255 20 30 EGEDLO C=CCNC(=O)C[NH+]1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000575360223 459965584 /nfs/dbraw/zinc/96/55/84/459965584.db2.gz ZFZGALZHRNRSLE-UHFFFAOYSA-N 1 2 327.255 3.475 20 30 EGEDLO CCOCc1nc([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)no1 ZINC000589350457 460076986 /nfs/dbraw/zinc/07/69/86/460076986.db2.gz AXTGHZOPHUWZCR-WBMJQRKESA-N 1 2 326.400 3.206 20 30 EGEDLO COc1ccc(C[NH2+]CC(C)(C)C#N)c(OCc2cccnc2)c1 ZINC000618604765 460083355 /nfs/dbraw/zinc/08/33/55/460083355.db2.gz WTKAZDONOCRGLY-UHFFFAOYSA-N 1 2 325.412 3.309 20 30 EGEDLO N#Cc1c[nH]c2c(F)ccc(F)c2c1=[NH+]Cc1cn2ccsc2n1 ZINC000618674027 460123999 /nfs/dbraw/zinc/12/39/99/460123999.db2.gz ZAMQPXYRMYWAHN-UHFFFAOYSA-N 1 2 341.346 3.128 20 30 EGEDLO C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1cccc(C#N)c1 ZINC000610363916 460134851 /nfs/dbraw/zinc/13/48/51/460134851.db2.gz IYAMCCLSKZGXOG-HNNXBMFYSA-N 1 2 330.391 3.294 20 30 EGEDLO C[C@H](CC#N)[NH2+][C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000602862291 460163018 /nfs/dbraw/zinc/16/30/18/460163018.db2.gz JNQPTGNOINMMCB-MXWKQRLJSA-N 1 2 330.457 3.474 20 30 EGEDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH2+][C@@H](C)CC#N)cc1OC ZINC000602868216 460164487 /nfs/dbraw/zinc/16/44/87/460164487.db2.gz IDRVEHBYCYGUCK-STQMWFEESA-N 1 2 335.404 3.420 20 30 EGEDLO N#CC[C@H](CC(=O)NCC1CC[NH+](CC(F)F)CC1)c1ccccc1 ZINC000594360963 460195315 /nfs/dbraw/zinc/19/53/15/460195315.db2.gz DIEJPNWMUGCEJM-QGZVFWFLSA-N 1 2 349.425 3.167 20 30 EGEDLO C[C@H](CCC#N)C[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F ZINC000618887524 460208137 /nfs/dbraw/zinc/20/81/37/460208137.db2.gz CIYOUTFAGJYEPF-DOMZBBRYSA-N 1 2 339.361 3.118 20 30 EGEDLO C[C@H](CCC#N)C[N@H+]1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F ZINC000618887524 460208144 /nfs/dbraw/zinc/20/81/44/460208144.db2.gz CIYOUTFAGJYEPF-DOMZBBRYSA-N 1 2 339.361 3.118 20 30 EGEDLO N#Cc1cc(F)cc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000603074266 460236333 /nfs/dbraw/zinc/23/63/33/460236333.db2.gz ADJAXGILEHKSRY-UHFFFAOYSA-N 1 2 339.374 3.014 20 30 EGEDLO N#Cc1cnn(-c2ccccc2)c1NCc1ccc[nH+]c1N1CCCC1 ZINC000603404602 460298557 /nfs/dbraw/zinc/29/85/57/460298557.db2.gz LKYDMXJMEDHRRW-UHFFFAOYSA-N 1 2 344.422 3.351 20 30 EGEDLO COc1ccc(-c2noc(C[NH2+][C@@H](C)c3cccc(C#N)c3)n2)cc1 ZINC000611387700 460350961 /nfs/dbraw/zinc/35/09/61/460350961.db2.gz FGKWAROZQJFFAW-ZDUSSCGKSA-N 1 2 334.379 3.468 20 30 EGEDLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000611387746 460351533 /nfs/dbraw/zinc/35/15/33/460351533.db2.gz GIDXKIFYJFEXTQ-HNNXBMFYSA-N 1 2 332.411 3.002 20 30 EGEDLO C=C[C@@H]([NH2+][C@H](C)CCc1ccc(Br)cc1)C(=O)OC ZINC000619700726 460418399 /nfs/dbraw/zinc/41/83/99/460418399.db2.gz JIEYQJRDFDRUSZ-BXUZGUMPSA-N 1 2 326.234 3.087 20 30 EGEDLO C[NH+](C)[C@@H](CNC(=O)c1ccccc1CC#N)c1c(F)cccc1F ZINC000601180402 460742104 /nfs/dbraw/zinc/74/21/04/460742104.db2.gz NVFDXJTUMBZQHL-KRWDZBQOSA-N 1 2 343.377 3.064 20 30 EGEDLO N#Cc1cccc(/C=C\c2nc([C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000612991523 460796161 /nfs/dbraw/zinc/79/61/61/460796161.db2.gz ZGNJDQZNQUAFIW-ZMJQMOPZSA-N 1 2 336.395 3.037 20 30 EGEDLO N#Cc1cccc(/C=C\c2nc([C@@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000612991523 460796171 /nfs/dbraw/zinc/79/61/71/460796171.db2.gz ZGNJDQZNQUAFIW-ZMJQMOPZSA-N 1 2 336.395 3.037 20 30 EGEDLO N#Cc1ccc(/C=C\c2nc([C@@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000612991187 460796449 /nfs/dbraw/zinc/79/64/49/460796449.db2.gz DBOBYRSNWNLTKM-JIPXFFRKSA-N 1 2 336.395 3.037 20 30 EGEDLO N#Cc1ccc(/C=C\c2nc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000612991187 460796456 /nfs/dbraw/zinc/79/64/56/460796456.db2.gz DBOBYRSNWNLTKM-JIPXFFRKSA-N 1 2 336.395 3.037 20 30 EGEDLO C=CC[C@H]1CCCN(C(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)C1 ZINC000617778324 460974473 /nfs/dbraw/zinc/97/44/73/460974473.db2.gz DDPJSPJGCUIVCW-STQMWFEESA-N 1 2 329.366 3.271 20 30 EGEDLO C[C@@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1cccc(C#N)c1 ZINC000617957491 461040403 /nfs/dbraw/zinc/04/04/03/461040403.db2.gz KIGVYDCEKPQDSL-CYBMUJFWSA-N 1 2 325.441 3.075 20 30 EGEDLO C[C@@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1cccc(C#N)c1 ZINC000617957491 461040404 /nfs/dbraw/zinc/04/04/04/461040404.db2.gz KIGVYDCEKPQDSL-CYBMUJFWSA-N 1 2 325.441 3.075 20 30 EGEDLO C=CC[C@@H](Cc1ccccc1)n1cc(C[NH+]2CCC(OC)CC2)nn1 ZINC000630592466 461205132 /nfs/dbraw/zinc/20/51/32/461205132.db2.gz QPIAVNGJHZZFFF-IBGZPJMESA-N 1 2 340.471 3.249 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)CCCC1 ZINC000633898305 461320379 /nfs/dbraw/zinc/32/03/79/461320379.db2.gz CCRARTUNKUROJK-UHFFFAOYSA-N 1 2 328.456 3.173 20 30 EGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000665899328 461340841 /nfs/dbraw/zinc/34/08/41/461340841.db2.gz JAOZTTARQWHVKR-RBUKOAKNSA-N 1 2 338.455 3.417 20 30 EGEDLO C=CCCn1cc(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)nn1 ZINC000653489394 461669655 /nfs/dbraw/zinc/66/96/55/461669655.db2.gz AULRLVRMFSIJJK-INIZCTEOSA-N 1 2 332.473 3.097 20 30 EGEDLO C=CCCn1cc(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)nn1 ZINC000653489394 461669660 /nfs/dbraw/zinc/66/96/60/461669660.db2.gz AULRLVRMFSIJJK-INIZCTEOSA-N 1 2 332.473 3.097 20 30 EGEDLO C=CCCn1cc(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)nn1 ZINC000653572498 461729636 /nfs/dbraw/zinc/72/96/36/461729636.db2.gz IGROWJHQSSAZHJ-UHFFFAOYSA-N 1 2 334.427 3.020 20 30 EGEDLO C=CCCn1cc(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)nn1 ZINC000653572498 461729646 /nfs/dbraw/zinc/72/96/46/461729646.db2.gz IGROWJHQSSAZHJ-UHFFFAOYSA-N 1 2 334.427 3.020 20 30 EGEDLO C=CCCn1cc(C[N@@H+]2[C@@H](C)Cc3cc(OC)ccc3[C@@H]2C)nn1 ZINC000653612030 461758340 /nfs/dbraw/zinc/75/83/40/461758340.db2.gz YMNDHDZWYZQSAZ-GJZGRUSLSA-N 1 2 326.444 3.371 20 30 EGEDLO C=CCCn1cc(C[N@H+]2[C@@H](C)Cc3cc(OC)ccc3[C@@H]2C)nn1 ZINC000653612030 461758346 /nfs/dbraw/zinc/75/83/46/461758346.db2.gz YMNDHDZWYZQSAZ-GJZGRUSLSA-N 1 2 326.444 3.371 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1nc(C)[nH+]c(C)c1Br ZINC000663870013 461848402 /nfs/dbraw/zinc/84/84/02/461848402.db2.gz LGPVUIPBTVYGPB-AAEUAGOBSA-N 1 2 326.238 3.249 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000644675036 462034038 /nfs/dbraw/zinc/03/40/38/462034038.db2.gz RXCIDMVDZJPBOW-OAHLLOKOSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000644675036 462034041 /nfs/dbraw/zinc/03/40/41/462034041.db2.gz RXCIDMVDZJPBOW-OAHLLOKOSA-N 1 2 333.476 3.433 20 30 EGEDLO C=CCCn1cc(C[NH2+]Cc2cccc(NC(=O)[C@@H](C)CC)c2)nn1 ZINC000657322831 462045421 /nfs/dbraw/zinc/04/54/21/462045421.db2.gz GGQWYQIUGTZYAO-HNNXBMFYSA-N 1 2 341.459 3.129 20 30 EGEDLO C=CCCn1cc(C[NH2+][C@H](c2ccc(F)cc2)[C@H]2CCCO2)nn1 ZINC000657336831 462056979 /nfs/dbraw/zinc/05/69/79/462056979.db2.gz YBTLRESVZMIPAK-QZTJIDSGSA-N 1 2 330.407 3.003 20 30 EGEDLO C=CC[N@H+](CC(=O)c1cc(C)n(CC(F)(F)F)c1C)[C@H](C)COC ZINC000661242572 462167911 /nfs/dbraw/zinc/16/79/11/462167911.db2.gz CLLWRKKPVOKQNW-CYBMUJFWSA-N 1 2 346.393 3.373 20 30 EGEDLO C=CC[N@@H+](CC(=O)c1cc(C)n(CC(F)(F)F)c1C)[C@H](C)COC ZINC000661242572 462167916 /nfs/dbraw/zinc/16/79/16/462167916.db2.gz CLLWRKKPVOKQNW-CYBMUJFWSA-N 1 2 346.393 3.373 20 30 EGEDLO C=CCOCC[N@@H+]1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000645094122 462176526 /nfs/dbraw/zinc/17/65/26/462176526.db2.gz CIDRRFHUSSVGBP-UHFFFAOYSA-N 1 2 335.245 3.491 20 30 EGEDLO C=CCOCC[N@H+]1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000645094122 462176531 /nfs/dbraw/zinc/17/65/31/462176531.db2.gz CIDRRFHUSSVGBP-UHFFFAOYSA-N 1 2 335.245 3.491 20 30 EGEDLO CC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCC(CCC#N)CC2)cc1 ZINC000645951603 462477261 /nfs/dbraw/zinc/47/72/61/462477261.db2.gz BSQCLVANALIBDN-AWEZNQCLSA-N 1 2 327.428 3.232 20 30 EGEDLO C#CCOc1cccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000130028024 527122568 /nfs/dbraw/zinc/12/25/68/527122568.db2.gz YXINXAQORYRFJJ-MAUKXSAKSA-N 1 2 338.411 3.010 20 30 EGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(F)cc1C#N ZINC000191910903 528860344 /nfs/dbraw/zinc/86/03/44/528860344.db2.gz WQZUNWAPJFNYRE-UHFFFAOYSA-N 1 2 343.406 3.400 20 30 EGEDLO COc1ccc(F)c(N2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000361733041 536600960 /nfs/dbraw/zinc/60/09/60/536600960.db2.gz AXVQDGZVWZOWCR-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO Cc1sccc1CC(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329129284 547491010 /nfs/dbraw/zinc/49/10/10/547491010.db2.gz NSCMXOPPHOXHBB-MRXNPFEDSA-N 1 2 333.457 3.457 20 30 EGEDLO O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)[C@H]1CC=CCC1 ZINC000329289710 547494000 /nfs/dbraw/zinc/49/40/00/547494000.db2.gz AGIVOKWXBXNCQE-ZDUSSCGKSA-N 1 2 326.400 3.344 20 30 EGEDLO CC1(C)Cc2cc([NH+]=C([O-])N[C@H]3CCc4[nH]c[nH+]c4C3)ccc2O1 ZINC000329502439 547499569 /nfs/dbraw/zinc/49/95/69/547499569.db2.gz HVKYRGIXAZUQAH-ZDUSSCGKSA-N 1 2 326.400 3.007 20 30 EGEDLO CC1(C)Cc2cc([NH+]=C([O-])N[C@H]3CCc4[nH+]c[nH]c4C3)ccc2O1 ZINC000329502439 547499573 /nfs/dbraw/zinc/49/95/73/547499573.db2.gz HVKYRGIXAZUQAH-ZDUSSCGKSA-N 1 2 326.400 3.007 20 30 EGEDLO C[C@H](NC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1)C12CC3CC(CC(C3)C1)C2 ZINC000330185687 547514958 /nfs/dbraw/zinc/51/49/58/547514958.db2.gz RMEQXARZPKWHHQ-OYDALLEOSA-N 1 2 342.487 3.306 20 30 EGEDLO C[C@H]([NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1)C12CC3CC(CC(C3)C1)C2 ZINC000330185687 547514964 /nfs/dbraw/zinc/51/49/64/547514964.db2.gz RMEQXARZPKWHHQ-OYDALLEOSA-N 1 2 342.487 3.306 20 30 EGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCC1(C)CCOCC1 ZINC000330289649 547518381 /nfs/dbraw/zinc/51/83/81/547518381.db2.gz FCGGELKYIFLBAB-OAHLLOKOSA-N 1 2 334.464 3.161 20 30 EGEDLO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000333670614 547540286 /nfs/dbraw/zinc/54/02/86/547540286.db2.gz YCJQBEHAUWTXDV-CQDKDKBSSA-N 1 2 337.345 3.093 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000680999564 549940158 /nfs/dbraw/zinc/94/01/58/549940158.db2.gz IREXMYCLQQYJFP-HOTGVXAUSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000680999564 549940159 /nfs/dbraw/zinc/94/01/59/549940159.db2.gz IREXMYCLQQYJFP-HOTGVXAUSA-N 1 2 333.476 3.433 20 30 EGEDLO C=CCn1nnn(C[N@@H+](CCC)[C@@H]2CCc3ccccc32)c1=S ZINC000726589781 574562841 /nfs/dbraw/zinc/56/28/41/574562841.db2.gz XNEAGLARLIDXGX-MRXNPFEDSA-N 1 2 329.473 3.352 20 30 EGEDLO C=CCn1nnn(C[N@H+](CCC)[C@@H]2CCc3ccccc32)c1=S ZINC000726589781 574562843 /nfs/dbraw/zinc/56/28/43/574562843.db2.gz XNEAGLARLIDXGX-MRXNPFEDSA-N 1 2 329.473 3.352 20 30 EGEDLO COc1ccccc1NC(=S)N[NH+]=Cc1ccc(N(C)C)c(F)c1 ZINC000727648835 574680983 /nfs/dbraw/zinc/68/09/83/574680983.db2.gz SFEWHIFMUWJXFJ-UHFFFAOYSA-N 1 2 346.431 3.221 20 30 EGEDLO Cc1cccn2cc(COC(=O)c3cc4ccccc4n3CC#N)[nH+]c12 ZINC000729766194 574884830 /nfs/dbraw/zinc/88/48/30/574884830.db2.gz CHXJAUSAJJFDMU-UHFFFAOYSA-N 1 2 344.374 3.478 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1cc2cccc(OCC)c2o1 ZINC000730103636 574920075 /nfs/dbraw/zinc/92/00/75/574920075.db2.gz FWZTWBFQSWRVKS-ZBFHGGJFSA-N 1 2 340.423 3.106 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1cc2cccc(OCC)c2o1 ZINC000730103636 574920078 /nfs/dbraw/zinc/92/00/78/574920078.db2.gz FWZTWBFQSWRVKS-ZBFHGGJFSA-N 1 2 340.423 3.106 20 30 EGEDLO CCCN1c2ccccc2C(=NNc2cc[nH+]c3ccccc23)C1=O ZINC000730147778 574925307 /nfs/dbraw/zinc/92/53/07/574925307.db2.gz JVXADAXJYDWERO-UHFFFAOYSA-N 1 2 330.391 3.230 20 30 EGEDLO C#CCOc1ccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000731114470 575055627 /nfs/dbraw/zinc/05/56/27/575055627.db2.gz AXXJRQMGPBAXAV-KRWDZBQOSA-N 1 2 340.427 3.132 20 30 EGEDLO Cc1cccc(CN2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)c1 ZINC000731210215 575060364 /nfs/dbraw/zinc/06/03/64/575060364.db2.gz DZJGLENMDSCOBY-UHFFFAOYSA-N 1 2 335.451 3.215 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc(-c2ccc(CC)s2)cs1 ZINC000734433461 575487236 /nfs/dbraw/zinc/48/72/36/575487236.db2.gz GGUAANDVTXKMJL-AWEZNQCLSA-N 1 2 345.493 3.470 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc(-c2ccc(CC)s2)cs1 ZINC000734433461 575487238 /nfs/dbraw/zinc/48/72/38/575487238.db2.gz GGUAANDVTXKMJL-AWEZNQCLSA-N 1 2 345.493 3.470 20 30 EGEDLO C=CC[C@H](NC(=O)NCCn1c(C)[nH+]c2ccccc21)c1ccncc1 ZINC000734656103 575532286 /nfs/dbraw/zinc/53/22/86/575532286.db2.gz ZSPAXYSCAWAVIG-KRWDZBQOSA-N 1 2 349.438 3.356 20 30 EGEDLO C=CCN(C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C)C(C)C ZINC000734675503 575540264 /nfs/dbraw/zinc/54/02/64/575540264.db2.gz KLEAUBJERNRJMB-HNNXBMFYSA-N 1 2 325.403 3.174 20 30 EGEDLO COc1c(C)c[nH+]c(COC(=O)CSc2ccc(C#N)cc2)c1C ZINC000736811705 576037819 /nfs/dbraw/zinc/03/78/19/576037819.db2.gz BODDBXSLKFQMGH-UHFFFAOYSA-N 1 2 342.420 3.414 20 30 EGEDLO CCCCCCCC[N@@H+]1CCNC(=O)[C@H]1c1c(C)nc2ccccn21 ZINC000740877671 576632851 /nfs/dbraw/zinc/63/28/51/576632851.db2.gz WLTXHCHGSIGMRI-LJQANCHMSA-N 1 2 342.487 3.476 20 30 EGEDLO CCCCCCCC[N@H+]1CCNC(=O)[C@H]1c1c(C)nc2ccccn21 ZINC000740877671 576632853 /nfs/dbraw/zinc/63/28/53/576632853.db2.gz WLTXHCHGSIGMRI-LJQANCHMSA-N 1 2 342.487 3.476 20 30 EGEDLO C[C@H](O[NH+]=C(N)c1ccc(F)cc1)c1nc(Cc2ccccc2)no1 ZINC000741753179 576716997 /nfs/dbraw/zinc/71/69/97/576716997.db2.gz SNTVXGVRUCRYCH-LBPRGKRZSA-N 1 2 340.358 3.198 20 30 EGEDLO CCOc1ccccc1OCCO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000742353733 576771951 /nfs/dbraw/zinc/77/19/51/576771951.db2.gz BJOGWWZBBNDXHW-UHFFFAOYSA-N 1 2 332.375 3.249 20 30 EGEDLO C#Cc1cnc(N2CC[NH+]([C@@H](CC)c3ccc(F)cc3F)CC2)nc1 ZINC000827684711 1292355166 /nfs/dbraw/zinc/35/51/66/1292355166.db2.gz FZFKNKDBTFNOHY-SFHVURJKSA-N 1 2 342.393 3.009 20 30 EGEDLO CC(C)(C#N)CC(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC000834645129 1293127038 /nfs/dbraw/zinc/12/70/38/1293127038.db2.gz YOZDRTDQUCVLGG-UHFFFAOYSA-N 1 2 336.439 3.144 20 30 EGEDLO Fc1ccccc1-c1ncc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)s1 ZINC000834966749 1293181810 /nfs/dbraw/zinc/18/18/10/1293181810.db2.gz RYIZYUBAWDPGKP-HUUCEWRRSA-N 1 2 343.431 3.143 20 30 EGEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000116867659 1293210751 /nfs/dbraw/zinc/21/07/51/1293210751.db2.gz MKMAZHSZFKDIOY-FQEVSTJZSA-N 1 2 341.455 3.147 20 30 EGEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000116867659 1293210757 /nfs/dbraw/zinc/21/07/57/1293210757.db2.gz MKMAZHSZFKDIOY-FQEVSTJZSA-N 1 2 341.455 3.147 20 30 EGEDLO Cc1c(C(=O)/C=C/c2c[nH+]c3ccccn23)nnn1-c1ccc(F)cc1 ZINC000119133554 1293255946 /nfs/dbraw/zinc/25/59/46/1293255946.db2.gz LPIBYBCZENJMCO-MDZDMXLPSA-N 1 2 347.353 3.259 20 30 EGEDLO C#CCOc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000130032179 1293642657 /nfs/dbraw/zinc/64/26/57/1293642657.db2.gz ZNRBGMHVEXKQAS-QAPCUYQASA-N 1 2 338.411 3.010 20 30 EGEDLO CC[C@H](C)c1ccc(NC(=O)CO[NH+]=C(N)Cc2cccnc2)cc1 ZINC000137646641 1293830880 /nfs/dbraw/zinc/83/08/80/1293830880.db2.gz WYBSAVQXLUJGJF-AWEZNQCLSA-N 1 2 340.427 3.065 20 30 EGEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@H](c3ccccc3OC)C2)c1=S ZINC000153502408 1294017488 /nfs/dbraw/zinc/01/74/88/1294017488.db2.gz UREFVRVNZYSGOX-HNNXBMFYSA-N 1 2 344.484 3.364 20 30 EGEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@H](c3ccccc3OC)C2)c1=S ZINC000153502408 1294017492 /nfs/dbraw/zinc/01/74/92/1294017492.db2.gz UREFVRVNZYSGOX-HNNXBMFYSA-N 1 2 344.484 3.364 20 30 EGEDLO N#C[C@@H](COC(=O)c1ccc(-n2cc[nH+]c2)cc1)Cc1cccs1 ZINC000181201945 1294948373 /nfs/dbraw/zinc/94/83/73/1294948373.db2.gz LZYWCZDIWNXCSS-AWEZNQCLSA-N 1 2 337.404 3.473 20 30 EGEDLO C#CCCCCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000185335014 1295255687 /nfs/dbraw/zinc/25/56/87/1295255687.db2.gz KMIDXEAMXHVLDK-UHFFFAOYSA-N 1 2 327.340 3.131 20 30 EGEDLO C#C[C@](C)(CC)[NH2+]Cc1nnc(-c2ccccc2Br)o1 ZINC000384188039 1297577737 /nfs/dbraw/zinc/57/77/37/1297577737.db2.gz UCXKALPILDBKTE-OAHLLOKOSA-N 1 2 334.217 3.391 20 30 EGEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1cc2c(s1)SCC(=O)N2 ZINC000588450122 1298067905 /nfs/dbraw/zinc/06/79/05/1298067905.db2.gz ALXQNKQIPBZUTL-PLNGDYQASA-N 1 2 341.417 3.336 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccc4nccnc4c3)CCO2)c1 ZINC000876817048 1299011665 /nfs/dbraw/zinc/01/16/65/1299011665.db2.gz WPCVYFJWGSFOFN-FQEVSTJZSA-N 1 2 330.391 3.075 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccc4nccnc4c3)CCO2)c1 ZINC000876817048 1299011671 /nfs/dbraw/zinc/01/16/71/1299011671.db2.gz WPCVYFJWGSFOFN-FQEVSTJZSA-N 1 2 330.391 3.075 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc3ccc(F)c(F)c3n2)n1 ZINC000877484432 1299335383 /nfs/dbraw/zinc/33/53/83/1299335383.db2.gz ASPVSGPCHMKYNW-UHFFFAOYSA-N 1 2 340.377 3.365 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc3ccc(F)c(F)c3n2)n1 ZINC000877484432 1299335392 /nfs/dbraw/zinc/33/53/92/1299335392.db2.gz ASPVSGPCHMKYNW-UHFFFAOYSA-N 1 2 340.377 3.365 20 30 EGEDLO CC(=O)[C@@](C#N)(CC[N@@H+](C)Cc1scnc1C)c1ccccc1 ZINC000878089149 1299741393 /nfs/dbraw/zinc/74/13/93/1299741393.db2.gz AJIPZVQONFCDFJ-SFHVURJKSA-N 1 2 327.453 3.324 20 30 EGEDLO CC(=O)[C@@](C#N)(CC[N@H+](C)Cc1scnc1C)c1ccccc1 ZINC000878089149 1299741403 /nfs/dbraw/zinc/74/14/03/1299741403.db2.gz AJIPZVQONFCDFJ-SFHVURJKSA-N 1 2 327.453 3.324 20 30 EGEDLO Fc1ccccc1-c1ccc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)o1 ZINC000753940754 1300048980 /nfs/dbraw/zinc/04/89/80/1300048980.db2.gz VJHVCSBTOURAOB-HZPDHXFCSA-N 1 2 326.375 3.280 20 30 EGEDLO C#C[C@H](CC)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000754374700 1300132325 /nfs/dbraw/zinc/13/23/25/1300132325.db2.gz PSKURKGEGUEAOI-CVEARBPZSA-N 1 2 349.272 3.114 20 30 EGEDLO CCc1cc2c(C[N@@H+](CCC#N)CC(C)C)cc(=O)oc2cc1O ZINC000755669742 1300374933 /nfs/dbraw/zinc/37/49/33/1300374933.db2.gz LGOGLBFSUHTJBZ-UHFFFAOYSA-N 1 2 328.412 3.433 20 30 EGEDLO N#Cc1ccc(C[NH2+]Cc2cn(-c3ccc(F)cc3Cl)nn2)cc1 ZINC000756002592 1300426081 /nfs/dbraw/zinc/42/60/81/1300426081.db2.gz NKPONUJTRGFCEN-UHFFFAOYSA-N 1 2 341.777 3.221 20 30 EGEDLO C=CC[C@H](CO)C[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756786093 1300567177 /nfs/dbraw/zinc/56/71/77/1300567177.db2.gz IYWSQUHMZFUSHK-ZJUUUORDSA-N 1 2 332.213 3.129 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2C[C@H](C)[C@H](C)C2)c1=S ZINC000765048300 1302190285 /nfs/dbraw/zinc/19/02/85/1302190285.db2.gz GOQAJVNPUFOASG-OKILXGFUSA-N 1 2 329.473 3.207 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1=S ZINC000765048300 1302190291 /nfs/dbraw/zinc/19/02/91/1302190291.db2.gz GOQAJVNPUFOASG-OKILXGFUSA-N 1 2 329.473 3.207 20 30 EGEDLO C=CC[NH+]1CCC([NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000882988047 1302194082 /nfs/dbraw/zinc/19/40/82/1302194082.db2.gz XPCLDZNDMFCVKM-UHFFFAOYSA-N 1 2 343.240 3.034 20 30 EGEDLO Cc1c(C(=O)/C=C\c2cccc3[nH+]ccn32)nnn1-c1ccc(C)cc1 ZINC000769608581 1303146855 /nfs/dbraw/zinc/14/68/55/1303146855.db2.gz VCYQNZAHHNVXDF-KHPPLWFESA-N 1 2 343.390 3.428 20 30 EGEDLO Brc1cc(NN=Cc2ccc(-n3cc[nH+]c3)cc2)ccn1 ZINC000769804279 1303176957 /nfs/dbraw/zinc/17/69/57/1303176957.db2.gz RPFLCSQFGXULTO-UHFFFAOYSA-N 1 2 342.200 3.476 20 30 EGEDLO C#C[C@H](C)[N@H+](C)CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1 ZINC000769975412 1303201423 /nfs/dbraw/zinc/20/14/23/1303201423.db2.gz FZKDBDSULPDDKN-LPHOPBHVSA-N 1 2 349.434 3.219 20 30 EGEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1 ZINC000769975412 1303201429 /nfs/dbraw/zinc/20/14/29/1303201429.db2.gz FZKDBDSULPDDKN-LPHOPBHVSA-N 1 2 349.434 3.219 20 30 EGEDLO C[NH+]1CCN(c2ccc(/C=C\C(=O)c3cc(F)ccc3O)cc2)CC1 ZINC000771525263 1303417128 /nfs/dbraw/zinc/41/71/28/1303417128.db2.gz PJCHSQOBBUNGIB-YWEYNIOJSA-N 1 2 340.398 3.179 20 30 EGEDLO Cc1cc(C(=O)OCCn2cc[nH+]c2)c(C)n1-c1ccc(C#N)cc1 ZINC000771948246 1303465366 /nfs/dbraw/zinc/46/53/66/1303465366.db2.gz IFXVSMADLAPSNB-UHFFFAOYSA-N 1 2 334.379 3.019 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000773435069 1303679994 /nfs/dbraw/zinc/67/99/94/1303679994.db2.gz AFXPHFLJSNXNQM-MRXNPFEDSA-N 1 2 331.460 3.024 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000773435069 1303680000 /nfs/dbraw/zinc/68/00/00/1303680000.db2.gz AFXPHFLJSNXNQM-MRXNPFEDSA-N 1 2 331.460 3.024 20 30 EGEDLO C#C[C@H](Cc1ccccc1)OC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000773837717 1303743791 /nfs/dbraw/zinc/74/37/91/1303743791.db2.gz VYFKHYRSVPXCBD-DYESRHJHSA-N 1 2 333.431 3.221 20 30 EGEDLO C#C[C@H](Cc1ccccc1)OC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000773837717 1303743794 /nfs/dbraw/zinc/74/37/94/1303743794.db2.gz VYFKHYRSVPXCBD-DYESRHJHSA-N 1 2 333.431 3.221 20 30 EGEDLO C#C[C@H](C)[N@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000775182594 1303920469 /nfs/dbraw/zinc/92/04/69/1303920469.db2.gz DWPUQRHHIZERHH-QMMMGPOBSA-N 1 2 347.050 3.371 20 30 EGEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000775182594 1303920475 /nfs/dbraw/zinc/92/04/75/1303920475.db2.gz DWPUQRHHIZERHH-QMMMGPOBSA-N 1 2 347.050 3.371 20 30 EGEDLO C#CC[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 ZINC000775401629 1303957475 /nfs/dbraw/zinc/95/74/75/1303957475.db2.gz WVCIQXLSUYBMFP-GOSISDBHSA-N 1 2 328.375 3.462 20 30 EGEDLO C#C[C@H]([NH2+]Cc1csc(-c2ccccc2OC)n1)[C@@H]1CCCO1 ZINC000775801595 1304040995 /nfs/dbraw/zinc/04/09/95/1304040995.db2.gz VOBUPQQEPLXWHZ-RDJZCZTQSA-N 1 2 328.437 3.089 20 30 EGEDLO CC(C)(C#N)CC[NH+]1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000776575963 1304173368 /nfs/dbraw/zinc/17/33/68/1304173368.db2.gz XJRRNASQMAKPMV-UHFFFAOYSA-N 1 2 347.331 3.444 20 30 EGEDLO CC(=NNC1=[NH+]C[C@@H](C)N1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000779791848 1304606512 /nfs/dbraw/zinc/60/65/12/1304606512.db2.gz GOUVNKNNVTYFJD-GFCCVEGCSA-N 1 2 326.375 3.279 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)c1ccc(OCc2ccccc2)cc1 ZINC000781694914 1304860731 /nfs/dbraw/zinc/86/07/31/1304860731.db2.gz KITSTBJWDLUWHT-NRFANRHFSA-N 1 2 348.446 3.326 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)c1ccc(OCc2ccccc2)cc1 ZINC000781694914 1304860734 /nfs/dbraw/zinc/86/07/34/1304860734.db2.gz KITSTBJWDLUWHT-NRFANRHFSA-N 1 2 348.446 3.326 20 30 EGEDLO COCc1cccc(CO[NH+]=C(N)c2ccc(Br)cc2)c1 ZINC000782948249 1305027319 /nfs/dbraw/zinc/02/73/19/1305027319.db2.gz IUFUDZNGQMLBLN-UHFFFAOYSA-N 1 2 349.228 3.433 20 30 EGEDLO NC(=[NH+]OCC[C@@H]1CCCO1)c1ccc(OCc2ccccc2)cc1 ZINC000786741167 1305621732 /nfs/dbraw/zinc/62/17/32/1305621732.db2.gz AQZUAZOIXJVHAR-SFHVURJKSA-N 1 2 340.423 3.472 20 30 EGEDLO CC(C)N(C)c1ccc(C=[NH+]NC(=S)Nc2ccccc2)cn1 ZINC000790144312 1306268534 /nfs/dbraw/zinc/26/85/34/1306268534.db2.gz NRQDGQGDRYCCGG-UHFFFAOYSA-N 1 2 327.457 3.247 20 30 EGEDLO COCCN(C)c1ccc(C=[NH+]Nc2cccc(Cl)c2F)cn1 ZINC000790160257 1306269819 /nfs/dbraw/zinc/26/98/19/1306269819.db2.gz ZQSICQYNCUYEAO-UHFFFAOYSA-N 1 2 336.798 3.403 20 30 EGEDLO Cn1cc[nH+]c1NN=Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000790302708 1306295383 /nfs/dbraw/zinc/29/53/83/1306295383.db2.gz XNAZELHGSVISOK-AWEZNQCLSA-N 1 2 334.807 3.077 20 30 EGEDLO CC(=NNc1[nH+]ccn1C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000790303864 1306295560 /nfs/dbraw/zinc/29/55/60/1306295560.db2.gz YVCDGFIZBHEPDL-HNNXBMFYSA-N 1 2 346.406 3.343 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000790930442 1308889733 /nfs/dbraw/zinc/88/97/33/1308889733.db2.gz MVWZZLLJTLIDPW-OAHLLOKOSA-N 1 2 349.858 3.122 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000790930442 1308889747 /nfs/dbraw/zinc/88/97/47/1308889747.db2.gz MVWZZLLJTLIDPW-OAHLLOKOSA-N 1 2 349.858 3.122 20 30 EGEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3ccc(C(=O)N(C)C)cc3)n21 ZINC000792925663 1309262709 /nfs/dbraw/zinc/26/27/09/1309262709.db2.gz UHZDBWMKVCTBTE-VAWYXSNFSA-N 1 2 333.391 3.241 20 30 EGEDLO C=CCC1(O)CC[NH+](Cc2cc(C)c(Br)cn2)CC1 ZINC000895827065 1309541341 /nfs/dbraw/zinc/54/13/41/1309541341.db2.gz JMXUGTHRGMKOGB-UHFFFAOYSA-N 1 2 325.250 3.056 20 30 EGEDLO C[C@H]1c2c(c(O)ccc2F)C(=O)/C1=C/c1ncc(C[NH+](C)C)s1 ZINC000794700815 1309578054 /nfs/dbraw/zinc/57/80/54/1309578054.db2.gz YXMMVMOGOVCNGT-VKRGWIQLSA-N 1 2 332.400 3.433 20 30 EGEDLO C[C@H]1c2c(c(O)ccc2F)C(=O)/C1=C\c1ncc(C[NH+](C)C)s1 ZINC000794700812 1309578604 /nfs/dbraw/zinc/57/86/04/1309578604.db2.gz YXMMVMOGOVCNGT-NJQKBMNKSA-N 1 2 332.400 3.433 20 30 EGEDLO Cc1cccn2c(/C=C\C(=O)c3ccccc3-n3ccnn3)c[nH+]c12 ZINC000794730413 1309585465 /nfs/dbraw/zinc/58/54/65/1309585465.db2.gz AXUZAMFGWRPWMF-HJWRWDBZSA-N 1 2 329.363 3.120 20 30 EGEDLO C[C@H]1CC[C@@H](c2ccccc2)[N@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000795697947 1309811152 /nfs/dbraw/zinc/81/11/52/1309811152.db2.gz CWRGAWVQNFKSAM-HOCLYGCPSA-N 1 2 341.484 3.448 20 30 EGEDLO C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000795697947 1309811162 /nfs/dbraw/zinc/81/11/62/1309811162.db2.gz CWRGAWVQNFKSAM-HOCLYGCPSA-N 1 2 341.484 3.448 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OCc1ccc(C#N)cc1 ZINC000796014330 1309885343 /nfs/dbraw/zinc/88/53/43/1309885343.db2.gz LFXXBZISXCPLQX-UHFFFAOYSA-N 1 2 341.317 3.238 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1COC(=O)NCCCC ZINC000796155568 1309922420 /nfs/dbraw/zinc/92/24/20/1309922420.db2.gz CBPKESWDKLVFKW-CYBMUJFWSA-N 1 2 333.270 3.276 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1COC(=O)NCCCC ZINC000796155568 1309922422 /nfs/dbraw/zinc/92/24/22/1309922422.db2.gz CBPKESWDKLVFKW-CYBMUJFWSA-N 1 2 333.270 3.276 20 30 EGEDLO C=C(Br)C[NH2+]Cc1c(C)nn(-c2ccccn2)c1Cl ZINC000796283483 1309952726 /nfs/dbraw/zinc/95/27/26/1309952726.db2.gz GXLPAAQPDRQXQF-UHFFFAOYSA-N 1 2 341.640 3.227 20 30 EGEDLO C=C1CC(c2noc(-c3cccc(NC(=O)CCn4cc[nH+]c4)c3)n2)C1 ZINC000896884120 1310068360 /nfs/dbraw/zinc/06/83/60/1310068360.db2.gz JSOQSHMIBAXTRI-UHFFFAOYSA-N 1 2 349.394 3.396 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000929594731 1328641835 /nfs/dbraw/zinc/64/18/35/1328641835.db2.gz HMHAFROIOOKWEF-HNNXBMFYSA-N 1 2 335.835 3.311 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000929594731 1328641839 /nfs/dbraw/zinc/64/18/39/1328641839.db2.gz HMHAFROIOOKWEF-HNNXBMFYSA-N 1 2 335.835 3.311 20 30 EGEDLO C[C@H](CCc1ccc2c(c1)OCO2)NN=Cc1cccc2[nH+]ccn21 ZINC000802714338 1317028225 /nfs/dbraw/zinc/02/82/25/1317028225.db2.gz KRKGLIHTHLCGLS-CQSZACIVSA-N 1 2 336.395 3.008 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc3c(cccc3F)s2)C1 ZINC000957362420 1317310245 /nfs/dbraw/zinc/31/02/45/1317310245.db2.gz XKSAMOJQHPJWCV-UHFFFAOYSA-N 1 2 330.428 3.210 20 30 EGEDLO CCOC(=O)Cc1ccc(C(=O)/C=C/c2c[nH+]cn2C(C)C)cc1 ZINC000901456805 1317428290 /nfs/dbraw/zinc/42/82/90/1317428290.db2.gz BTWMEQHDZMIYSI-MDZDMXLPSA-N 1 2 326.396 3.466 20 30 EGEDLO COC(=O)c1ccc(CNc2[nH+]cccc2OCCCC#N)cc1C ZINC000902068226 1317515868 /nfs/dbraw/zinc/51/58/68/1317515868.db2.gz YWIUUEZWBBDPDQ-UHFFFAOYSA-N 1 2 339.395 3.471 20 30 EGEDLO C#CC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(OC)c1OC ZINC000809716785 1317874445 /nfs/dbraw/zinc/87/44/45/1317874445.db2.gz SGYJSGJNAUIWDB-UHFFFAOYSA-N 1 2 325.408 3.348 20 30 EGEDLO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(OC)c1OC ZINC000809716785 1317874452 /nfs/dbraw/zinc/87/44/52/1317874452.db2.gz SGYJSGJNAUIWDB-UHFFFAOYSA-N 1 2 325.408 3.348 20 30 EGEDLO Cc1noc([C@@H]2CCCC[N@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)n1 ZINC000809718639 1317874901 /nfs/dbraw/zinc/87/49/01/1317874901.db2.gz MFSMCTFWDLWTJN-GUYCJALGSA-N 1 2 326.400 3.396 20 30 EGEDLO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)n1 ZINC000809718639 1317874903 /nfs/dbraw/zinc/87/49/03/1317874903.db2.gz MFSMCTFWDLWTJN-GUYCJALGSA-N 1 2 326.400 3.396 20 30 EGEDLO C#C[C@@H](Cc1ccccc1)OC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000810637514 1318036733 /nfs/dbraw/zinc/03/67/33/1318036733.db2.gz FMKCAIYGTAEPSI-NRFANRHFSA-N 1 2 344.414 3.262 20 30 EGEDLO N#Cc1cc(COC(=O)Cc2c[nH+]cn2Cc2ccccc2)ccc1F ZINC000811325545 1318155543 /nfs/dbraw/zinc/15/55/43/1318155543.db2.gz ZAJXMJPDMLYQTJ-UHFFFAOYSA-N 1 2 349.365 3.228 20 30 EGEDLO N#Cc1sccc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000907313397 1318209079 /nfs/dbraw/zinc/20/90/79/1318209079.db2.gz GDDQIQMCKOFZFD-UHFFFAOYSA-N 1 2 328.441 3.149 20 30 EGEDLO C=CCn1c2ccccc2n(CN2CCn3c[nH+]cc3C2)c1=S ZINC000811788049 1318265347 /nfs/dbraw/zinc/26/53/47/1318265347.db2.gz WUEPOEFJRCWFIK-UHFFFAOYSA-N 1 2 325.441 3.028 20 30 EGEDLO C#Cc1cncc(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)c1 ZINC000907815503 1318266556 /nfs/dbraw/zinc/26/65/56/1318266556.db2.gz KAMVEHXQWPZZIL-QGZVFWFLSA-N 1 2 348.450 3.121 20 30 EGEDLO C#Cc1cncc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)c1 ZINC000907815503 1318266561 /nfs/dbraw/zinc/26/65/61/1318266561.db2.gz KAMVEHXQWPZZIL-QGZVFWFLSA-N 1 2 348.450 3.121 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCN1C(=O)C1CC=CC1 ZINC000960517758 1318629040 /nfs/dbraw/zinc/62/90/40/1318629040.db2.gz VZEPHZVQQMBXFD-LJQANCHMSA-N 1 2 341.430 3.086 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCN1C(=O)C1CC=CC1 ZINC000960517758 1318629056 /nfs/dbraw/zinc/62/90/56/1318629056.db2.gz VZEPHZVQQMBXFD-LJQANCHMSA-N 1 2 341.430 3.086 20 30 EGEDLO CCc1ccc(C#CC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000814531144 1318769788 /nfs/dbraw/zinc/76/97/88/1318769788.db2.gz ASQLBFNHZUSMBM-UHFFFAOYSA-N 1 2 347.462 3.302 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nc(C)cs1 ZINC000960836375 1318968087 /nfs/dbraw/zinc/96/80/87/1318968087.db2.gz FZVYAEVKFAMDLW-CRAIPNDOSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nc(C)cs1 ZINC000960836375 1318968091 /nfs/dbraw/zinc/96/80/91/1318968091.db2.gz FZVYAEVKFAMDLW-CRAIPNDOSA-N 1 2 335.517 3.477 20 30 EGEDLO C[C@@H]1CCC[C@@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C1 ZINC000914728553 1319370785 /nfs/dbraw/zinc/37/07/85/1319370785.db2.gz BCMXTDDSGZGJTF-ZIAGYGMSSA-N 1 2 338.455 3.225 20 30 EGEDLO CC[NH+](CC)Cc1csc(NC(=O)c2cccc(CC#N)c2)n1 ZINC000915837367 1319546452 /nfs/dbraw/zinc/54/64/52/1319546452.db2.gz SSDDLXJNDJHZQI-UHFFFAOYSA-N 1 2 328.441 3.303 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NCCc1ccc2c(c1)OCCO2 ZINC000820619315 1319923150 /nfs/dbraw/zinc/92/31/50/1319923150.db2.gz INOUCVNGJSPBSP-UHFFFAOYSA-N 1 2 338.407 3.300 20 30 EGEDLO C=C(Br)C[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000821280243 1320005233 /nfs/dbraw/zinc/00/52/33/1320005233.db2.gz UADSCDUTIJMMGU-UHFFFAOYSA-N 1 2 331.641 3.487 20 30 EGEDLO COC(=O)C1(C#N)CC[NH+](Cc2c(Cl)oc3ccccc32)CC1 ZINC000824867814 1320293084 /nfs/dbraw/zinc/29/30/84/1320293084.db2.gz XLZFYNXUQYCQGI-UHFFFAOYSA-N 1 2 332.787 3.365 20 30 EGEDLO COC(=O)C1(C#N)CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000824867750 1320293234 /nfs/dbraw/zinc/29/32/34/1320293234.db2.gz WCSFONBQSJSKEG-UHFFFAOYSA-N 1 2 341.436 3.089 20 30 EGEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)OC ZINC000839168692 1320883378 /nfs/dbraw/zinc/88/33/78/1320883378.db2.gz MUGBVOHTJLGIPU-PMPSAXMXSA-N 1 2 339.357 3.496 20 30 EGEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)C(=O)OC ZINC000839170368 1320883690 /nfs/dbraw/zinc/88/36/90/1320883690.db2.gz ZXCKGFPYLKUONG-XHSDSOJGSA-N 1 2 339.357 3.496 20 30 EGEDLO S=C(NN=C1CC[N@H+](Cc2ccccc2)C1)NC1CCCCC1 ZINC000839389565 1320912311 /nfs/dbraw/zinc/91/23/11/1320912311.db2.gz VUSPAVCJPHIGGW-UHFFFAOYSA-N 1 2 330.501 3.045 20 30 EGEDLO S=C(NN=C1CC[N@@H+](Cc2ccccc2)C1)NC1CCCCC1 ZINC000839389565 1320912313 /nfs/dbraw/zinc/91/23/13/1320912313.db2.gz VUSPAVCJPHIGGW-UHFFFAOYSA-N 1 2 330.501 3.045 20 30 EGEDLO C[C@H](CC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)n1cc[nH+]c1 ZINC000845450624 1321708876 /nfs/dbraw/zinc/70/88/76/1321708876.db2.gz IKHOWAXGUJKCNM-VXGBXAGGSA-N 1 2 343.337 3.455 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 ZINC000849180578 1322094195 /nfs/dbraw/zinc/09/41/95/1322094195.db2.gz QUWZPICYOHEZDN-DNVCBOLYSA-N 1 2 347.418 3.097 20 30 EGEDLO N#CC[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 ZINC000849180578 1322094199 /nfs/dbraw/zinc/09/41/99/1322094199.db2.gz QUWZPICYOHEZDN-DNVCBOLYSA-N 1 2 347.418 3.097 20 30 EGEDLO CN(C)c1cccnc1C[NH2+]Cc1cc(C#N)ccc1Br ZINC000922140828 1322464284 /nfs/dbraw/zinc/46/42/84/1322464284.db2.gz MLXATACHGBOROB-UHFFFAOYSA-N 1 2 345.244 3.072 20 30 EGEDLO C#C[C@@](C)(CC)[NH2+]Cc1nnc(-c2ccc(Br)s2)o1 ZINC000852098083 1323145922 /nfs/dbraw/zinc/14/59/22/1323145922.db2.gz FDGORWADXITXMR-ZDUSSCGKSA-N 1 2 340.246 3.452 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000852319524 1323178881 /nfs/dbraw/zinc/17/88/81/1323178881.db2.gz OEECQMFXEVXKHE-XHDPSFHLSA-N 1 2 341.224 3.247 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000852319524 1323178885 /nfs/dbraw/zinc/17/88/85/1323178885.db2.gz OEECQMFXEVXKHE-XHDPSFHLSA-N 1 2 341.224 3.247 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccccc1SC(F)F)[C@@H](C)COC ZINC000852359468 1323182867 /nfs/dbraw/zinc/18/28/67/1323182867.db2.gz JPTFHSOKDGQAGQ-LBPRGKRZSA-N 1 2 344.427 3.463 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1SC(F)F)[C@@H](C)COC ZINC000852359468 1323182872 /nfs/dbraw/zinc/18/28/72/1323182872.db2.gz JPTFHSOKDGQAGQ-LBPRGKRZSA-N 1 2 344.427 3.463 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccoc2)ccc1F ZINC001024331813 1323318779 /nfs/dbraw/zinc/31/87/79/1323318779.db2.gz QPRSEJYBBZVPFA-KRWDZBQOSA-N 1 2 341.386 3.075 20 30 EGEDLO N#Cc1cc(C[N@H+]2CCCC[C@H]2CNC(=O)c2ccoc2)ccc1F ZINC001024331813 1323318785 /nfs/dbraw/zinc/31/87/85/1323318785.db2.gz QPRSEJYBBZVPFA-KRWDZBQOSA-N 1 2 341.386 3.075 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1[nH]nc2ccc(C)cc21 ZINC001024529807 1323476188 /nfs/dbraw/zinc/47/61/88/1323476188.db2.gz ZUFXYGGPVYQDTJ-AWEZNQCLSA-N 1 2 346.862 3.208 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1[nH]nc2ccc(C)cc21 ZINC001024529807 1323476193 /nfs/dbraw/zinc/47/61/93/1323476193.db2.gz ZUFXYGGPVYQDTJ-AWEZNQCLSA-N 1 2 346.862 3.208 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc2c1CCOC2 ZINC001024548658 1323488982 /nfs/dbraw/zinc/48/89/82/1323488982.db2.gz CJDSYKMRTJHZKT-INIZCTEOSA-N 1 2 348.874 3.096 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc2c1CCOC2 ZINC001024548658 1323488986 /nfs/dbraw/zinc/48/89/86/1323488986.db2.gz CJDSYKMRTJHZKT-INIZCTEOSA-N 1 2 348.874 3.096 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(C(C)C)on1 ZINC001024579920 1323517686 /nfs/dbraw/zinc/51/76/86/1323517686.db2.gz OXUOAXQLRNOTOD-ZDUSSCGKSA-N 1 2 325.840 3.135 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C(C)C)on1 ZINC001024579920 1323517691 /nfs/dbraw/zinc/51/76/91/1323517691.db2.gz OXUOAXQLRNOTOD-ZDUSSCGKSA-N 1 2 325.840 3.135 20 30 EGEDLO C#CCOc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CC(=C)Cl)cc1 ZINC001024695782 1323611749 /nfs/dbraw/zinc/61/17/49/1323611749.db2.gz WOTOBOMVXCVATB-QGZVFWFLSA-N 1 2 346.858 3.035 20 30 EGEDLO C#CCOc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(=C)Cl)cc1 ZINC001024695782 1323611753 /nfs/dbraw/zinc/61/17/53/1323611753.db2.gz WOTOBOMVXCVATB-QGZVFWFLSA-N 1 2 346.858 3.035 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2c([nH]1)CCCC2 ZINC001024748319 1323649707 /nfs/dbraw/zinc/64/97/07/1323649707.db2.gz HMHMPRCWWWBVRY-OAHLLOKOSA-N 1 2 335.879 3.230 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc2c([nH]1)CCCC2 ZINC001024748319 1323649712 /nfs/dbraw/zinc/64/97/12/1323649712.db2.gz HMHMPRCWWWBVRY-OAHLLOKOSA-N 1 2 335.879 3.230 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc2oc(C)nc21 ZINC001024816617 1323719409 /nfs/dbraw/zinc/71/94/09/1323719409.db2.gz NIPVUVKRFSJPJB-AWEZNQCLSA-N 1 2 347.846 3.473 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc2oc(C)nc21 ZINC001024816617 1323719410 /nfs/dbraw/zinc/71/94/10/1323719410.db2.gz NIPVUVKRFSJPJB-AWEZNQCLSA-N 1 2 347.846 3.473 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NCc1ccccc1Cn1cncn1 ZINC000853150579 1325055546 /nfs/dbraw/zinc/05/55/46/1325055546.db2.gz GZWLOIBJYKFKSN-UHFFFAOYSA-N 1 2 347.422 3.126 20 30 EGEDLO C=CC[C@H]1CCC[N@@H+](Cn2nc(-c3ccncc3)n(C)c2=S)C1 ZINC000853536191 1325116555 /nfs/dbraw/zinc/11/65/55/1325116555.db2.gz OJYMKTAZCQNOGQ-AWEZNQCLSA-N 1 2 329.473 3.259 20 30 EGEDLO C=CC[C@H]1CCC[N@H+](Cn2nc(-c3ccncc3)n(C)c2=S)C1 ZINC000853536191 1325116562 /nfs/dbraw/zinc/11/65/62/1325116562.db2.gz OJYMKTAZCQNOGQ-AWEZNQCLSA-N 1 2 329.473 3.259 20 30 EGEDLO Cc1nocc1CO[NH+]=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000853640741 1325138348 /nfs/dbraw/zinc/13/83/48/1325138348.db2.gz PPBXTVVCBGOXEV-UHFFFAOYSA-N 1 2 330.344 3.042 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](CO)c1ccc(F)cc1 ZINC000853691262 1325149036 /nfs/dbraw/zinc/14/90/36/1325149036.db2.gz YSMPRXGHFODNPU-INIZCTEOSA-N 1 2 328.387 3.201 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)C2CCC2)C1 ZINC001027460928 1327707138 /nfs/dbraw/zinc/70/71/38/1327707138.db2.gz RRVNJQYHAKOHDZ-DZGCQCFKSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)C2CCC2)C1 ZINC001027460928 1327707148 /nfs/dbraw/zinc/70/71/48/1327707148.db2.gz RRVNJQYHAKOHDZ-DZGCQCFKSA-N 1 2 343.309 3.254 20 30 EGEDLO Cc1occc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1C ZINC000964930870 1327776461 /nfs/dbraw/zinc/77/64/61/1327776461.db2.gz CBXPQRHGBYQEHF-AUUYWEPGSA-N 1 2 337.423 3.100 20 30 EGEDLO Cc1occc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)CC[C@H]1C ZINC000964930870 1327776463 /nfs/dbraw/zinc/77/64/63/1327776463.db2.gz CBXPQRHGBYQEHF-AUUYWEPGSA-N 1 2 337.423 3.100 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)[C@@H](C)c2nc(C(C)C)no2)C1 ZINC001027520217 1327791269 /nfs/dbraw/zinc/79/12/69/1327791269.db2.gz IYMUBLUSRURPFV-GJZGRUSLSA-N 1 2 348.491 3.389 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([N@H+](C)[C@@H](C)c2nc(C(C)C)no2)C1 ZINC001027520217 1327791277 /nfs/dbraw/zinc/79/12/77/1327791277.db2.gz IYMUBLUSRURPFV-GJZGRUSLSA-N 1 2 348.491 3.389 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2cocc2C)C1 ZINC001027528677 1327808552 /nfs/dbraw/zinc/80/85/52/1327808552.db2.gz AASXWQFCJWDYAS-CYBMUJFWSA-N 1 2 341.249 3.033 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cocc2C)C1 ZINC001027528677 1327808555 /nfs/dbraw/zinc/80/85/55/1327808555.db2.gz AASXWQFCJWDYAS-CYBMUJFWSA-N 1 2 341.249 3.033 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)[C@@H](C)c3nnc(C)o3)C2)CC1 ZINC001027559464 1327870514 /nfs/dbraw/zinc/87/05/14/1327870514.db2.gz YTSSLVFRSGJWIG-WMLDXEAASA-N 1 2 346.475 3.108 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@H+](C)[C@@H](C)c3nnc(C)o3)C2)CC1 ZINC001027559464 1327870528 /nfs/dbraw/zinc/87/05/28/1327870528.db2.gz YTSSLVFRSGJWIG-WMLDXEAASA-N 1 2 346.475 3.108 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]([N@H+](C)Cc2nc(C)oc2C)C1 ZINC001027560250 1327875023 /nfs/dbraw/zinc/87/50/23/1327875023.db2.gz UEUIGUZFOAWRIU-QFBILLFUSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]([N@@H+](C)Cc2nc(C)oc2C)C1 ZINC001027560250 1327875033 /nfs/dbraw/zinc/87/50/33/1327875033.db2.gz UEUIGUZFOAWRIU-QFBILLFUSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@H+](C)Cc3coc(C4CC4)n3)C2)C1 ZINC001027565719 1327890468 /nfs/dbraw/zinc/89/04/68/1327890468.db2.gz AXFKJBNZJKVSJN-QGZVFWFLSA-N 1 2 343.471 3.331 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3coc(C4CC4)n3)C2)C1 ZINC001027565719 1327890473 /nfs/dbraw/zinc/89/04/73/1327890473.db2.gz AXFKJBNZJKVSJN-QGZVFWFLSA-N 1 2 343.471 3.331 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@H+](C)Cc3ncc(C)s3)C2)C1 ZINC001027566428 1327893603 /nfs/dbraw/zinc/89/36/03/1327893603.db2.gz IQBKGVJJMUWTJJ-OAHLLOKOSA-N 1 2 333.501 3.231 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3ncc(C)s3)C2)C1 ZINC001027566428 1327893608 /nfs/dbraw/zinc/89/36/08/1327893608.db2.gz IQBKGVJJMUWTJJ-OAHLLOKOSA-N 1 2 333.501 3.231 20 30 EGEDLO CC(C)C(=O)N[C@H]1C[N@@H+](CC#Cc2ccccc2Cl)CC[C@H]1C ZINC000965248114 1327952752 /nfs/dbraw/zinc/95/27/52/1327952752.db2.gz RFITXQVBSHWYKK-QAPCUYQASA-N 1 2 332.875 3.174 20 30 EGEDLO CC(C)C(=O)N[C@H]1C[N@H+](CC#Cc2ccccc2Cl)CC[C@H]1C ZINC000965248114 1327952745 /nfs/dbraw/zinc/95/27/45/1327952745.db2.gz RFITXQVBSHWYKK-QAPCUYQASA-N 1 2 332.875 3.174 20 30 EGEDLO CC(C)C(=O)N[C@H]1C[N@H+](CC#Cc2ccccc2Cl)CC[C@@H]1C ZINC000965248118 1327953741 /nfs/dbraw/zinc/95/37/41/1327953741.db2.gz RFITXQVBSHWYKK-YJBOKZPZSA-N 1 2 332.875 3.174 20 30 EGEDLO CC(C)C(=O)N[C@H]1C[N@@H+](CC#Cc2ccccc2Cl)CC[C@@H]1C ZINC000965248118 1327953749 /nfs/dbraw/zinc/95/37/49/1327953749.db2.gz RFITXQVBSHWYKK-YJBOKZPZSA-N 1 2 332.875 3.174 20 30 EGEDLO CC1CC(C(=O)NC[C@@H]2CCC[N@@H+]2CC#Cc2ccccc2Cl)C1 ZINC001027821047 1328276722 /nfs/dbraw/zinc/27/67/22/1328276722.db2.gz ZYXRWZHNANFDPL-VJFUWPCTSA-N 1 2 344.886 3.318 20 30 EGEDLO CC1CC(C(=O)NC[C@@H]2CCC[N@H+]2CC#Cc2ccccc2Cl)C1 ZINC001027821047 1328276729 /nfs/dbraw/zinc/27/67/29/1328276729.db2.gz ZYXRWZHNANFDPL-VJFUWPCTSA-N 1 2 344.886 3.318 20 30 EGEDLO Cc1csc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2C#N)c1 ZINC001027873432 1328335255 /nfs/dbraw/zinc/33/52/55/1328335255.db2.gz FXEBSCORVCGBGW-QGZVFWFLSA-N 1 2 339.464 3.323 20 30 EGEDLO Cc1csc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2C#N)c1 ZINC001027873432 1328335261 /nfs/dbraw/zinc/33/52/61/1328335261.db2.gz FXEBSCORVCGBGW-QGZVFWFLSA-N 1 2 339.464 3.323 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1conc1C1CCCC1 ZINC001027930452 1328407358 /nfs/dbraw/zinc/40/73/58/1328407358.db2.gz SYYSOTGHDUQDEB-CQSZACIVSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1conc1C1CCCC1 ZINC001027930452 1328407360 /nfs/dbraw/zinc/40/73/60/1328407360.db2.gz SYYSOTGHDUQDEB-CQSZACIVSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3nc(C)oc3c2)C1 ZINC000966874263 1328447095 /nfs/dbraw/zinc/44/70/95/1328447095.db2.gz FFWRUIHVKGEHAF-ZBEGNZNMSA-N 1 2 347.846 3.329 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3nc(C)oc3c2)C1 ZINC000966874263 1328447101 /nfs/dbraw/zinc/44/71/01/1328447101.db2.gz FFWRUIHVKGEHAF-ZBEGNZNMSA-N 1 2 347.846 3.329 20 30 EGEDLO Cc1ccc(N[NH+]=Cc2c(Cl)nc(N)nc2N2CCCC2)cc1 ZINC000863950967 1329591352 /nfs/dbraw/zinc/59/13/52/1329591352.db2.gz XVRHCXNQKCOJOS-UHFFFAOYSA-N 1 2 330.823 3.067 20 30 EGEDLO N#Cc1cccc(C2([NH2+]Cc3cccnc3Br)CC2)c1 ZINC000865507775 1329706811 /nfs/dbraw/zinc/70/68/11/1329706811.db2.gz AOPTZZNZOSPVQV-UHFFFAOYSA-N 1 2 328.213 3.495 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[NH2+][C@H](c3ccncc3)C3CC3)o2)cc1 ZINC000934693679 1330000488 /nfs/dbraw/zinc/00/04/88/1330000488.db2.gz UTWPPKYFHOXDFI-SFHVURJKSA-N 1 2 331.379 3.244 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)C2CC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC000946958071 1332943048 /nfs/dbraw/zinc/94/30/48/1332943048.db2.gz VOXYOPRCWKGNBW-RHSMWYFYSA-N 1 2 330.859 3.071 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)C2CC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC000946958071 1332943052 /nfs/dbraw/zinc/94/30/52/1332943052.db2.gz VOXYOPRCWKGNBW-RHSMWYFYSA-N 1 2 330.859 3.071 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)C2CC=CC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947152979 1333025165 /nfs/dbraw/zinc/02/51/65/1333025165.db2.gz PMNDFOUKBCWYRU-KUHUBIRLSA-N 1 2 341.430 3.133 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)C2CC=CC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947152979 1333025169 /nfs/dbraw/zinc/02/51/69/1333025169.db2.gz PMNDFOUKBCWYRU-KUHUBIRLSA-N 1 2 341.430 3.133 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cscn3)[C@@H](C)C2)CC1 ZINC000947686141 1333223236 /nfs/dbraw/zinc/22/32/36/1333223236.db2.gz UOAFIXCNWZWUMU-GOEBONIOSA-N 1 2 333.501 3.359 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cscn3)[C@@H](C)C2)CC1 ZINC000947686141 1333223240 /nfs/dbraw/zinc/22/32/40/1333223240.db2.gz UOAFIXCNWZWUMU-GOEBONIOSA-N 1 2 333.501 3.359 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C2CC3(CC3)C2)C[C@H]1C ZINC000947702620 1333232902 /nfs/dbraw/zinc/23/29/02/1333232902.db2.gz QIZGCXWMLHDDAM-TZMCWYRMSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C2CC3(CC3)C2)C[C@H]1C ZINC000947702620 1333232905 /nfs/dbraw/zinc/23/29/05/1333232905.db2.gz QIZGCXWMLHDDAM-TZMCWYRMSA-N 1 2 341.293 3.054 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(Cl)o1 ZINC000948893561 1333722893 /nfs/dbraw/zinc/72/28/93/1333722893.db2.gz AOGWIDYGJHTSGB-INIZCTEOSA-N 1 2 342.826 3.286 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(Cl)o1 ZINC000948893561 1333722894 /nfs/dbraw/zinc/72/28/94/1333722894.db2.gz AOGWIDYGJHTSGB-INIZCTEOSA-N 1 2 342.826 3.286 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC000948923397 1333735683 /nfs/dbraw/zinc/73/56/83/1333735683.db2.gz IBWVUNLAMQZAEH-SXLOBPIMSA-N 1 2 338.495 3.408 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC000948923397 1333735686 /nfs/dbraw/zinc/73/56/86/1333735686.db2.gz IBWVUNLAMQZAEH-SXLOBPIMSA-N 1 2 338.495 3.408 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC000948928057 1333737016 /nfs/dbraw/zinc/73/70/16/1333737016.db2.gz GRTAVVOSGAYDBC-PZJWPPBQSA-N 1 2 336.479 3.472 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC000948928057 1333737022 /nfs/dbraw/zinc/73/70/22/1333737022.db2.gz GRTAVVOSGAYDBC-PZJWPPBQSA-N 1 2 336.479 3.472 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC000948928053 1333737312 /nfs/dbraw/zinc/73/73/12/1333737312.db2.gz GRTAVVOSGAYDBC-FPOVZHCZSA-N 1 2 336.479 3.472 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC000948928053 1333737313 /nfs/dbraw/zinc/73/73/13/1333737313.db2.gz GRTAVVOSGAYDBC-FPOVZHCZSA-N 1 2 336.479 3.472 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)sc1C ZINC000948932033 1333737627 /nfs/dbraw/zinc/73/76/27/1333737627.db2.gz FAOUPWGNKFOLMA-IBGZPJMESA-N 1 2 338.476 3.327 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)sc1C ZINC000948932033 1333737630 /nfs/dbraw/zinc/73/76/30/1333737630.db2.gz FAOUPWGNKFOLMA-IBGZPJMESA-N 1 2 338.476 3.327 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000948940387 1333742141 /nfs/dbraw/zinc/74/21/41/1333742141.db2.gz IFGGYAZEODEBQN-MMKMLUHNSA-N 1 2 336.479 3.162 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000948940387 1333742142 /nfs/dbraw/zinc/74/21/42/1333742142.db2.gz IFGGYAZEODEBQN-MMKMLUHNSA-N 1 2 336.479 3.162 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(C)cc1F ZINC000948966058 1333749957 /nfs/dbraw/zinc/74/99/57/1333749957.db2.gz UVRTXQGDGJIUQY-FQEVSTJZSA-N 1 2 336.410 3.097 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(C)cc1F ZINC000948966058 1333749958 /nfs/dbraw/zinc/74/99/58/1333749958.db2.gz UVRTXQGDGJIUQY-FQEVSTJZSA-N 1 2 336.410 3.097 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cccc(C)c1C ZINC000948982227 1333758134 /nfs/dbraw/zinc/75/81/34/1333758134.db2.gz JBDHGNMKAQKTCJ-OAQYLSRUSA-N 1 2 332.447 3.266 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cccc(C)c1C ZINC000948982227 1333758135 /nfs/dbraw/zinc/75/81/35/1333758135.db2.gz JBDHGNMKAQKTCJ-OAQYLSRUSA-N 1 2 332.447 3.266 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(CC(C)C)c[nH]1 ZINC000948982909 1333758634 /nfs/dbraw/zinc/75/86/34/1333758634.db2.gz TWGLWSQXZDQMRO-OAQYLSRUSA-N 1 2 349.478 3.176 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(CC(C)C)c[nH]1 ZINC000948982909 1333758638 /nfs/dbraw/zinc/75/86/38/1333758638.db2.gz TWGLWSQXZDQMRO-OAQYLSRUSA-N 1 2 349.478 3.176 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](Cc2ccc(COC)cc2)CC1 ZINC000949635600 1333886659 /nfs/dbraw/zinc/88/66/59/1333886659.db2.gz DTLHPSIIXBHSNL-UHFFFAOYSA-N 1 2 330.472 3.080 20 30 EGEDLO C=C1CCC(C(=O)N2CC[NH+](CCO[C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000950047009 1334000974 /nfs/dbraw/zinc/00/09/74/1334000974.db2.gz OEYPQHBFLOHMPR-UYAOXDASSA-N 1 2 348.531 3.472 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](C[C@@H](O)c2ccc(CC)cc2)CC1 ZINC000950051716 1334003778 /nfs/dbraw/zinc/00/37/78/1334003778.db2.gz RYWQPTFBAXKTHE-CTNGQTDRSA-N 1 2 344.499 3.029 20 30 EGEDLO C=CCC[NH+]1CC(N(CC)C(=O)c2snc(Cl)c2Cl)C1 ZINC000950426258 1334067550 /nfs/dbraw/zinc/06/75/50/1334067550.db2.gz ZNDUPKOUFQGXLQ-UHFFFAOYSA-N 1 2 334.272 3.172 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ocnc2-c2ccccc2)C1 ZINC000950484407 1334079945 /nfs/dbraw/zinc/07/99/45/1334079945.db2.gz NTUGCYMNBDUHAK-UHFFFAOYSA-N 1 2 325.412 3.064 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2COC)C1 ZINC000967209016 1335676517 /nfs/dbraw/zinc/67/65/17/1335676517.db2.gz SNTFZXHRCJQUFV-SUMWQHHRSA-N 1 2 336.863 3.026 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2COC)C1 ZINC000967209016 1335676518 /nfs/dbraw/zinc/67/65/18/1335676518.db2.gz SNTFZXHRCJQUFV-SUMWQHHRSA-N 1 2 336.863 3.026 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(OC)cc2F)C1 ZINC000967255533 1335679262 /nfs/dbraw/zinc/67/92/62/1335679262.db2.gz JSLMJPPUWMFNAR-ZBEGNZNMSA-N 1 2 340.826 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(OC)cc2F)C1 ZINC000967255533 1335679263 /nfs/dbraw/zinc/67/92/63/1335679263.db2.gz JSLMJPPUWMFNAR-ZBEGNZNMSA-N 1 2 340.826 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC000967274671 1335683776 /nfs/dbraw/zinc/68/37/76/1335683776.db2.gz RMKRTXZFXAVJNS-YVEFUNNKSA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC000967274671 1335683777 /nfs/dbraw/zinc/68/37/77/1335683777.db2.gz RMKRTXZFXAVJNS-YVEFUNNKSA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccnc2C(F)F)C1 ZINC000967290835 1335691517 /nfs/dbraw/zinc/69/15/17/1335691517.db2.gz DNXGHNAUQXSJQX-GXFFZTMASA-N 1 2 343.805 3.212 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccnc2C(F)F)C1 ZINC000967290835 1335691518 /nfs/dbraw/zinc/69/15/18/1335691518.db2.gz DNXGHNAUQXSJQX-GXFFZTMASA-N 1 2 343.805 3.212 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2C[N@@H+](Cc3cncc(F)c3)CC[C@H]2C)CC1 ZINC000968192787 1335868320 /nfs/dbraw/zinc/86/83/20/1335868320.db2.gz SOEQCGABZACPIA-BEFAXECRSA-N 1 2 345.462 3.294 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2C[N@H+](Cc3cncc(F)c3)CC[C@H]2C)CC1 ZINC000968192787 1335868321 /nfs/dbraw/zinc/86/83/21/1335868321.db2.gz SOEQCGABZACPIA-BEFAXECRSA-N 1 2 345.462 3.294 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2C[N@@H+](Cc3cc(C)on3)CC[C@@H]2C)CC1 ZINC000968190383 1335868636 /nfs/dbraw/zinc/86/86/36/1335868636.db2.gz KHHZELYHNJGWEV-KSSFIOAISA-N 1 2 331.460 3.056 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2C[N@H+](Cc3cc(C)on3)CC[C@@H]2C)CC1 ZINC000968190383 1335868641 /nfs/dbraw/zinc/86/86/41/1335868641.db2.gz KHHZELYHNJGWEV-KSSFIOAISA-N 1 2 331.460 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000968408460 1335923486 /nfs/dbraw/zinc/92/34/86/1335923486.db2.gz CTQCEASYUTYGNC-BLLLJJGKSA-N 1 2 346.862 3.064 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000968408460 1335923489 /nfs/dbraw/zinc/92/34/89/1335923489.db2.gz CTQCEASYUTYGNC-BLLLJJGKSA-N 1 2 346.862 3.064 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2ccc3ccccc32)C1 ZINC000968663922 1336002101 /nfs/dbraw/zinc/00/21/01/1336002101.db2.gz CEDMHVJXUDZVIF-WMLDXEAASA-N 1 2 345.874 3.220 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cn2ccc3ccccc32)C1 ZINC000968663922 1336002104 /nfs/dbraw/zinc/00/21/04/1336002104.db2.gz CEDMHVJXUDZVIF-WMLDXEAASA-N 1 2 345.874 3.220 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(N(C)CC)cc2)C1 ZINC000968701484 1336017151 /nfs/dbraw/zinc/01/71/51/1336017151.db2.gz GVBPJDALCQLZCO-KDOFPFPSSA-N 1 2 349.906 3.335 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(N(C)CC)cc2)C1 ZINC000968701484 1336017154 /nfs/dbraw/zinc/01/71/54/1336017154.db2.gz GVBPJDALCQLZCO-KDOFPFPSSA-N 1 2 349.906 3.335 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1ccc(COC)o1 ZINC000968941622 1336097671 /nfs/dbraw/zinc/09/76/71/1336097671.db2.gz PMGXHVHHLYRTDN-AWEZNQCLSA-N 1 2 340.851 3.153 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc(COC)o1 ZINC000968941622 1336097675 /nfs/dbraw/zinc/09/76/75/1336097675.db2.gz PMGXHVHHLYRTDN-AWEZNQCLSA-N 1 2 340.851 3.153 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2Cc2ccon2)CC1 ZINC000969011217 1336118050 /nfs/dbraw/zinc/11/80/50/1336118050.db2.gz NOZZCMHGFCMWRV-GOSISDBHSA-N 1 2 331.460 3.282 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2Cc2ccon2)CC1 ZINC000969011217 1336118051 /nfs/dbraw/zinc/11/80/51/1336118051.db2.gz NOZZCMHGFCMWRV-GOSISDBHSA-N 1 2 331.460 3.282 20 30 EGEDLO C[C@H](NC(=O)c1cccs1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969239446 1336184877 /nfs/dbraw/zinc/18/48/77/1336184877.db2.gz AHYCQCZMZMAERU-LBPRGKRZSA-N 1 2 343.427 3.009 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(-c3cnco3)cc2)C1 ZINC000969968651 1336267653 /nfs/dbraw/zinc/26/76/53/1336267653.db2.gz KJNOOHRQYCUVFB-ZDUSSCGKSA-N 1 2 345.830 3.144 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cccc(-n3cccc3)c2)C1 ZINC000970087710 1336278796 /nfs/dbraw/zinc/27/87/96/1336278796.db2.gz CUOPGIZBILLYTE-OAHLLOKOSA-N 1 2 343.858 3.280 20 30 EGEDLO C=C1CCC(C(=O)N(C)C2CC[NH+]([C@H](C)c3ncccn3)CC2)CC1 ZINC001005934060 1336425647 /nfs/dbraw/zinc/42/56/47/1336425647.db2.gz DTTQXDLFDYZUIP-MRXNPFEDSA-N 1 2 342.487 3.207 20 30 EGEDLO CCc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)o1 ZINC001007664206 1336685811 /nfs/dbraw/zinc/68/58/11/1336685811.db2.gz GLROJCVHXXBKTO-KRWDZBQOSA-N 1 2 337.423 3.108 20 30 EGEDLO CCc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)o1 ZINC001007664206 1336685813 /nfs/dbraw/zinc/68/58/13/1336685813.db2.gz GLROJCVHXXBKTO-KRWDZBQOSA-N 1 2 337.423 3.108 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc3cnccc3c2)C1 ZINC001007918830 1336733205 /nfs/dbraw/zinc/73/32/05/1336733205.db2.gz JNJQXJGJZATAOH-GOSISDBHSA-N 1 2 343.858 3.110 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2ccc3cnccc3c2)C1 ZINC001007918830 1336733209 /nfs/dbraw/zinc/73/32/09/1336733209.db2.gz JNJQXJGJZATAOH-GOSISDBHSA-N 1 2 343.858 3.110 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cccc3ncccc32)C1 ZINC001008122587 1336774810 /nfs/dbraw/zinc/77/48/10/1336774810.db2.gz SRHVKSJIJIAQKI-AWEZNQCLSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cccc3ncccc32)C1 ZINC001008122587 1336774812 /nfs/dbraw/zinc/77/48/12/1336774812.db2.gz SRHVKSJIJIAQKI-AWEZNQCLSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(OC)c(Cl)c2)C1 ZINC001009454947 1337026561 /nfs/dbraw/zinc/02/65/61/1337026561.db2.gz OKDHQGYIOMRFIM-CYBMUJFWSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(OC)c(Cl)c2)C1 ZINC001009454947 1337026562 /nfs/dbraw/zinc/02/65/62/1337026562.db2.gz OKDHQGYIOMRFIM-CYBMUJFWSA-N 1 2 343.254 3.295 20 30 EGEDLO Cc1occc1C(=O)N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001010128426 1337146407 /nfs/dbraw/zinc/14/64/07/1337146407.db2.gz VKMQUONDJMTQQI-KRWDZBQOSA-N 1 2 342.826 3.097 20 30 EGEDLO Cc1occc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001010128426 1337146408 /nfs/dbraw/zinc/14/64/08/1337146408.db2.gz VKMQUONDJMTQQI-KRWDZBQOSA-N 1 2 342.826 3.097 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)CC3=CCCCC3)C2)c1 ZINC001010382469 1337186249 /nfs/dbraw/zinc/18/62/49/1337186249.db2.gz JLAOANSIGNSZEN-SFHVURJKSA-N 1 2 341.430 3.278 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)CC3=CCCCC3)C2)c1 ZINC001010382469 1337186251 /nfs/dbraw/zinc/18/62/51/1337186251.db2.gz JLAOANSIGNSZEN-SFHVURJKSA-N 1 2 341.430 3.278 20 30 EGEDLO Cc1csc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)c1 ZINC001014377673 1337758339 /nfs/dbraw/zinc/75/83/39/1337758339.db2.gz SZJWBGBIGAQBCS-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1csc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)c1 ZINC001014377673 1337758341 /nfs/dbraw/zinc/75/83/41/1337758341.db2.gz SZJWBGBIGAQBCS-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001014495191 1337798718 /nfs/dbraw/zinc/79/87/18/1337798718.db2.gz RHGLWZAFSIGYOL-IPMKNSEASA-N 1 2 339.483 3.321 20 30 EGEDLO CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001014495191 1337798724 /nfs/dbraw/zinc/79/87/24/1337798724.db2.gz RHGLWZAFSIGYOL-IPMKNSEASA-N 1 2 339.483 3.321 20 30 EGEDLO Cc1scc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1C ZINC001014562786 1337826168 /nfs/dbraw/zinc/82/61/68/1337826168.db2.gz MOLCVXNYXPEMAX-KRWDZBQOSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1scc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1C ZINC001014562786 1337826170 /nfs/dbraw/zinc/82/61/70/1337826170.db2.gz MOLCVXNYXPEMAX-KRWDZBQOSA-N 1 2 339.464 3.241 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccc3ccc(C)nc32)C1 ZINC001014878436 1337936892 /nfs/dbraw/zinc/93/68/92/1337936892.db2.gz QSVCYWIXZOJUAZ-OAHLLOKOSA-N 1 2 329.831 3.100 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3ccc(C)nc32)C1 ZINC001014878436 1337936894 /nfs/dbraw/zinc/93/68/94/1337936894.db2.gz QSVCYWIXZOJUAZ-OAHLLOKOSA-N 1 2 329.831 3.100 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[C@H]3C=CCCC3)C2)c(F)c1 ZINC001014908890 1337947161 /nfs/dbraw/zinc/94/71/61/1337947161.db2.gz KMULJGJPUCVGJO-YJBOKZPZSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C[C@H]3C=CCCC3)C2)c(F)c1 ZINC001014908890 1337947162 /nfs/dbraw/zinc/94/71/62/1337947162.db2.gz KMULJGJPUCVGJO-YJBOKZPZSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(c3cccc(C)c3)CCC2)C1 ZINC001015466130 1338149871 /nfs/dbraw/zinc/14/98/71/1338149871.db2.gz JPHSGIKWMOEWPD-QGZVFWFLSA-N 1 2 332.875 3.360 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(c3cccc(C)c3)CCC2)C1 ZINC001015466130 1338149876 /nfs/dbraw/zinc/14/98/76/1338149876.db2.gz JPHSGIKWMOEWPD-QGZVFWFLSA-N 1 2 332.875 3.360 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3c(F)cccc3F)C2)CC1 ZINC001015659845 1338238013 /nfs/dbraw/zinc/23/80/13/1338238013.db2.gz LWNBTOYNCFPSEX-HNNXBMFYSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3c(F)cccc3F)C2)CC1 ZINC001015659845 1338238017 /nfs/dbraw/zinc/23/80/17/1338238017.db2.gz LWNBTOYNCFPSEX-HNNXBMFYSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3)C2)CC1 ZINC001015659900 1338238221 /nfs/dbraw/zinc/23/82/21/1338238221.db2.gz NGMZJXFUZRUWGQ-SFHVURJKSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cc(F)cc(F)c3)C2)CC1 ZINC001015659900 1338238227 /nfs/dbraw/zinc/23/82/27/1338238227.db2.gz NGMZJXFUZRUWGQ-SFHVURJKSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3c(Cl)cccc3OC)C2)C1 ZINC001015676339 1338252666 /nfs/dbraw/zinc/25/26/66/1338252666.db2.gz JRUVCQKZNFCRLP-AWEZNQCLSA-N 1 2 348.874 3.395 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3c(Cl)cccc3OC)C2)C1 ZINC001015676339 1338252671 /nfs/dbraw/zinc/25/26/71/1338252671.db2.gz JRUVCQKZNFCRLP-AWEZNQCLSA-N 1 2 348.874 3.395 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)cs1 ZINC001015849438 1338333755 /nfs/dbraw/zinc/33/37/55/1338333755.db2.gz DQNYTHSQYZDWQD-INIZCTEOSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)cs1 ZINC001015849438 1338333757 /nfs/dbraw/zinc/33/37/57/1338333757.db2.gz DQNYTHSQYZDWQD-INIZCTEOSA-N 1 2 343.427 3.072 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2ccccc2Cl)C1 ZINC001016066120 1338439713 /nfs/dbraw/zinc/43/97/13/1338439713.db2.gz LFRJQOBKNIMFLC-INIZCTEOSA-N 1 2 339.826 3.216 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2ccccc2Cl)C1 ZINC001016066120 1338439715 /nfs/dbraw/zinc/43/97/15/1338439715.db2.gz LFRJQOBKNIMFLC-INIZCTEOSA-N 1 2 339.826 3.216 20 30 EGEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cc2[nH]ccc2s1 ZINC001016129079 1338470770 /nfs/dbraw/zinc/47/07/70/1338470770.db2.gz OXOLNRGDNJZFJN-MRXNPFEDSA-N 1 2 349.459 3.085 20 30 EGEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cc2[nH]ccc2s1 ZINC001016129079 1338470774 /nfs/dbraw/zinc/47/07/74/1338470774.db2.gz OXOLNRGDNJZFJN-MRXNPFEDSA-N 1 2 349.459 3.085 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC001016185441 1338495554 /nfs/dbraw/zinc/49/55/54/1338495554.db2.gz RZJRDQFCZYRCBW-OAHLLOKOSA-N 1 2 339.266 3.315 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC001016185441 1338495559 /nfs/dbraw/zinc/49/55/59/1338495559.db2.gz RZJRDQFCZYRCBW-OAHLLOKOSA-N 1 2 339.266 3.315 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c(C)c1 ZINC001016187522 1338497599 /nfs/dbraw/zinc/49/75/99/1338497599.db2.gz NECRHALHKIERTA-FQEVSTJZSA-N 1 2 347.462 3.488 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c(C)c1 ZINC001016187522 1338497604 /nfs/dbraw/zinc/49/76/04/1338497604.db2.gz NECRHALHKIERTA-FQEVSTJZSA-N 1 2 347.462 3.488 20 30 EGEDLO CCc1ccsc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001016327127 1338551314 /nfs/dbraw/zinc/55/13/14/1338551314.db2.gz IMXIUBGXMMUDBK-KRWDZBQOSA-N 1 2 339.464 3.186 20 30 EGEDLO CCc1ccsc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001016327127 1338551318 /nfs/dbraw/zinc/55/13/18/1338551318.db2.gz IMXIUBGXMMUDBK-KRWDZBQOSA-N 1 2 339.464 3.186 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2c(C)oc3ccccc32)C1 ZINC001016432366 1338599237 /nfs/dbraw/zinc/59/92/37/1338599237.db2.gz FJRPTJZQJMDBCS-CQSZACIVSA-N 1 2 332.831 3.227 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2c(C)oc3ccccc32)C1 ZINC001016432366 1338599240 /nfs/dbraw/zinc/59/92/40/1338599240.db2.gz FJRPTJZQJMDBCS-CQSZACIVSA-N 1 2 332.831 3.227 20 30 EGEDLO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2(C3CC3)CCC2)cc1 ZINC001017775339 1339416757 /nfs/dbraw/zinc/41/67/57/1339416757.db2.gz RXYAXUQPQOURNB-BGYRXZFFSA-N 1 2 349.478 3.314 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2(C3CC3)CCC2)cc1 ZINC001017775339 1339416761 /nfs/dbraw/zinc/41/67/61/1339416761.db2.gz RXYAXUQPQOURNB-BGYRXZFFSA-N 1 2 349.478 3.314 20 30 EGEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)c(Cl)cc1F ZINC001017869486 1339436303 /nfs/dbraw/zinc/43/63/03/1339436303.db2.gz JMWJYSRNHMXERJ-PHIMTYICSA-N 1 2 326.774 3.093 20 30 EGEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)c(Cl)cc1F ZINC001017869486 1339436306 /nfs/dbraw/zinc/43/63/06/1339436306.db2.gz JMWJYSRNHMXERJ-PHIMTYICSA-N 1 2 326.774 3.093 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c2ccc(C)cc2c1C ZINC001018131963 1339508770 /nfs/dbraw/zinc/50/87/70/1339508770.db2.gz XGQKFXVGYWCLSF-CALCHBBNSA-N 1 2 335.451 3.097 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c2ccc(C)cc2c1C ZINC001018131963 1339508771 /nfs/dbraw/zinc/50/87/71/1339508771.db2.gz XGQKFXVGYWCLSF-CALCHBBNSA-N 1 2 335.451 3.097 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnc2ccsc2c1 ZINC001028074270 1340409683 /nfs/dbraw/zinc/40/96/83/1340409683.db2.gz WIPNBMGGCLSZFC-ZDUSSCGKSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnc2ccsc2c1 ZINC001028074270 1340409687 /nfs/dbraw/zinc/40/96/87/1340409687.db2.gz WIPNBMGGCLSZFC-ZDUSSCGKSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1c(F)cc(F)cc1F ZINC001028106052 1340428938 /nfs/dbraw/zinc/42/89/38/1340428938.db2.gz SVGBLBHNWRINDG-LLVKDONJSA-N 1 2 332.753 3.051 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c(F)cc(F)cc1F ZINC001028106052 1340428939 /nfs/dbraw/zinc/42/89/39/1340428939.db2.gz SVGBLBHNWRINDG-LLVKDONJSA-N 1 2 332.753 3.051 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c(Cl)cncc1Cl ZINC001028111005 1340434033 /nfs/dbraw/zinc/43/40/33/1340434033.db2.gz MEVNJAUCEBLFFT-SNVBAGLBSA-N 1 2 348.661 3.335 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1c(Cl)cncc1Cl ZINC001028111005 1340434035 /nfs/dbraw/zinc/43/40/35/1340434035.db2.gz MEVNJAUCEBLFFT-SNVBAGLBSA-N 1 2 348.661 3.335 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2nc(C)ccc2c1 ZINC001028212830 1340487198 /nfs/dbraw/zinc/48/71/98/1340487198.db2.gz HLAQQOQYURCUFZ-KRWDZBQOSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2nc(C)ccc2c1 ZINC001028212830 1340487200 /nfs/dbraw/zinc/48/72/00/1340487200.db2.gz HLAQQOQYURCUFZ-KRWDZBQOSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2cnccc2c1 ZINC001028244464 1340506258 /nfs/dbraw/zinc/50/62/58/1340506258.db2.gz DIVIUIISTYMUFF-KRWDZBQOSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2cnccc2c1 ZINC001028244464 1340506263 /nfs/dbraw/zinc/50/62/63/1340506263.db2.gz DIVIUIISTYMUFF-KRWDZBQOSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)cn1CC ZINC001028321410 1340562397 /nfs/dbraw/zinc/56/23/97/1340562397.db2.gz ILDYRWFDRBYZAD-CYBMUJFWSA-N 1 2 330.259 3.108 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)cn1CC ZINC001028321410 1340562400 /nfs/dbraw/zinc/56/24/00/1340562400.db2.gz ILDYRWFDRBYZAD-CYBMUJFWSA-N 1 2 330.259 3.108 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1c(Cl)cccc1OC ZINC001028332580 1340570362 /nfs/dbraw/zinc/57/03/62/1340570362.db2.gz XWERRCFIBDRDCA-LBPRGKRZSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1c(Cl)cccc1OC ZINC001028332580 1340570371 /nfs/dbraw/zinc/57/03/71/1340570371.db2.gz XWERRCFIBDRDCA-LBPRGKRZSA-N 1 2 343.254 3.295 20 30 EGEDLO O=C(CC1CCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(F)cc1 ZINC001029257519 1340962061 /nfs/dbraw/zinc/96/20/61/1340962061.db2.gz XUPHLXAGGSOMEJ-BGYRXZFFSA-N 1 2 340.442 3.043 20 30 EGEDLO O=C(CC1CCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001029257519 1340962062 /nfs/dbraw/zinc/96/20/62/1340962062.db2.gz XUPHLXAGGSOMEJ-BGYRXZFFSA-N 1 2 340.442 3.043 20 30 EGEDLO CC(C)=C(F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029269758 1340964831 /nfs/dbraw/zinc/96/48/31/1340964831.db2.gz FULNXZYWIPQTBH-BETUJISGSA-N 1 2 333.432 3.058 20 30 EGEDLO CC(C)=C(F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029269758 1340964832 /nfs/dbraw/zinc/96/48/32/1340964832.db2.gz FULNXZYWIPQTBH-BETUJISGSA-N 1 2 333.432 3.058 20 30 EGEDLO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N)C1CCC1 ZINC001029355502 1340976222 /nfs/dbraw/zinc/97/62/22/1340976222.db2.gz YVQIDEXCSKKESN-YSGRDPCXSA-N 1 2 337.467 3.170 20 30 EGEDLO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N)C1CCC1 ZINC001029355502 1340976223 /nfs/dbraw/zinc/97/62/23/1340976223.db2.gz YVQIDEXCSKKESN-YSGRDPCXSA-N 1 2 337.467 3.170 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1conc1CC ZINC001029453135 1340993416 /nfs/dbraw/zinc/99/34/16/1340993416.db2.gz KJKYFCZIUJYRMR-FCEWJHQRSA-N 1 2 331.460 3.015 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1conc1CC ZINC001029453135 1340993417 /nfs/dbraw/zinc/99/34/17/1340993417.db2.gz KJKYFCZIUJYRMR-FCEWJHQRSA-N 1 2 331.460 3.015 20 30 EGEDLO CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C#N)c(F)c2)CC1 ZINC001029460518 1340995702 /nfs/dbraw/zinc/99/57/02/1340995702.db2.gz WUIMQTNTNCNSNS-CALCHBBNSA-N 1 2 341.430 3.063 20 30 EGEDLO CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)c(F)c2)CC1 ZINC001029460518 1340995703 /nfs/dbraw/zinc/99/57/03/1340995703.db2.gz WUIMQTNTNCNSNS-CALCHBBNSA-N 1 2 341.430 3.063 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2F)C1 ZINC001029466109 1340997097 /nfs/dbraw/zinc/99/70/97/1340997097.db2.gz BEJBMJOWNYHKME-CALCHBBNSA-N 1 2 328.431 3.357 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2F)C1 ZINC001029466109 1340997098 /nfs/dbraw/zinc/99/70/98/1340997098.db2.gz BEJBMJOWNYHKME-CALCHBBNSA-N 1 2 328.431 3.357 20 30 EGEDLO CC(C)[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001029499854 1341001405 /nfs/dbraw/zinc/00/14/05/1341001405.db2.gz SPNDGHAGLYIWLA-ZYSHUDEJSA-N 1 2 325.456 3.026 20 30 EGEDLO CC(C)[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001029499854 1341001406 /nfs/dbraw/zinc/00/14/06/1341001406.db2.gz SPNDGHAGLYIWLA-ZYSHUDEJSA-N 1 2 325.456 3.026 20 30 EGEDLO C[C@H]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2C#N)C1 ZINC001029500456 1341001577 /nfs/dbraw/zinc/00/15/77/1341001577.db2.gz DRMDCEWQRSIICJ-ACZWYYKOSA-N 1 2 337.467 3.170 20 30 EGEDLO C[C@H]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2C#N)C1 ZINC001029500456 1341001578 /nfs/dbraw/zinc/00/15/78/1341001578.db2.gz DRMDCEWQRSIICJ-ACZWYYKOSA-N 1 2 337.467 3.170 20 30 EGEDLO CC[C@@]1(C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029537795 1341008192 /nfs/dbraw/zinc/00/81/92/1341008192.db2.gz PCBOCCGZCAYANS-CSHUHZATSA-N 1 2 343.496 3.231 20 30 EGEDLO CC[C@@]1(C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029537795 1341008193 /nfs/dbraw/zinc/00/81/93/1341008193.db2.gz PCBOCCGZCAYANS-CSHUHZATSA-N 1 2 343.496 3.231 20 30 EGEDLO O=C(C(C1CC1)C1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029547651 1341010045 /nfs/dbraw/zinc/01/00/45/1341010045.db2.gz POFNSFWWGMVPQQ-OYRHEFFESA-N 1 2 348.490 3.150 20 30 EGEDLO O=C(C(C1CC1)C1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029547651 1341010046 /nfs/dbraw/zinc/01/00/46/1341010046.db2.gz POFNSFWWGMVPQQ-OYRHEFFESA-N 1 2 348.490 3.150 20 30 EGEDLO C=CCOc1ccc(C(=O)NC2C[NH+](CC3=CCCCC3)C2)cc1 ZINC001030541004 1341196097 /nfs/dbraw/zinc/19/60/97/1341196097.db2.gz ALMPLRBDDHWPRP-UHFFFAOYSA-N 1 2 326.440 3.166 20 30 EGEDLO C#Cc1ccc(C(=O)NC2C[NH+](Cc3ccccc3C3CC3)C2)cc1 ZINC001030777490 1341224109 /nfs/dbraw/zinc/22/41/09/1341224109.db2.gz YYEBYFFPFKCSME-UHFFFAOYSA-N 1 2 330.431 3.160 20 30 EGEDLO C=C1CCC(C(=O)NC2C[NH+](CCOC3CCCCCC3)C2)CC1 ZINC001030903777 1341246598 /nfs/dbraw/zinc/24/65/98/1341246598.db2.gz VIFYPQLIUDKNKX-UHFFFAOYSA-N 1 2 334.504 3.273 20 30 EGEDLO C=C1CCC(C(=O)NC2C[NH+](CCOc3cc(C)ccc3C)C2)CC1 ZINC001030903822 1341246646 /nfs/dbraw/zinc/24/66/46/1341246646.db2.gz XFGABDWCCMCBQN-UHFFFAOYSA-N 1 2 342.483 3.229 20 30 EGEDLO C=C1CCC(C(=O)NC2C[NH+](CCO[C@H]3CCCC[C@@H]3C)C2)CC1 ZINC001030903705 1341246674 /nfs/dbraw/zinc/24/66/74/1341246674.db2.gz RTYXUENORQHKML-LPHOPBHVSA-N 1 2 334.504 3.129 20 30 EGEDLO Cc1scc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)c1C ZINC001031695139 1341389636 /nfs/dbraw/zinc/38/96/36/1341389636.db2.gz QNCZJEPSFVDRTA-UHFFFAOYSA-N 1 2 339.464 3.098 20 30 EGEDLO C=Cc1ccc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)cc1 ZINC001031999511 1341437173 /nfs/dbraw/zinc/43/71/73/1341437173.db2.gz UWYDZBANZNSRGR-UHFFFAOYSA-N 1 2 337.448 3.125 20 30 EGEDLO O=C(CCC1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032259995 1341484840 /nfs/dbraw/zinc/48/48/40/1341484840.db2.gz ZZBTYOINDSUMEH-SFTDATJTSA-N 1 2 336.479 3.294 20 30 EGEDLO O=C(CCC1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032259995 1341484841 /nfs/dbraw/zinc/48/48/41/1341484841.db2.gz ZZBTYOINDSUMEH-SFTDATJTSA-N 1 2 336.479 3.294 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cn(C(C)C)nc1C ZINC001032605561 1341555888 /nfs/dbraw/zinc/55/58/88/1341555888.db2.gz CMKQEKWPGAFWSU-CMKODMSKSA-N 1 2 344.503 3.160 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cn(C(C)C)nc1C ZINC001032605561 1341555889 /nfs/dbraw/zinc/55/58/89/1341555889.db2.gz CMKQEKWPGAFWSU-CMKODMSKSA-N 1 2 344.503 3.160 20 30 EGEDLO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(CC(C)(C)C)s1 ZINC001032719891 1341590580 /nfs/dbraw/zinc/59/05/80/1341590580.db2.gz WYEIIBBUUCLRTR-KBPBESRZSA-N 1 2 333.501 3.207 20 30 EGEDLO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(CC(C)(C)C)s1 ZINC001032719891 1341590582 /nfs/dbraw/zinc/59/05/82/1341590582.db2.gz WYEIIBBUUCLRTR-KBPBESRZSA-N 1 2 333.501 3.207 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2CCC=CCC2)c1 ZINC001032788734 1341613768 /nfs/dbraw/zinc/61/37/68/1341613768.db2.gz JBJXTFAJQIKBAK-PMACEKPBSA-N 1 2 335.451 3.090 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2CCC=CCC2)c1 ZINC001032788734 1341613769 /nfs/dbraw/zinc/61/37/69/1341613769.db2.gz JBJXTFAJQIKBAK-PMACEKPBSA-N 1 2 335.451 3.090 20 30 EGEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2cccc(Cl)c2o1 ZINC001032823597 1341627593 /nfs/dbraw/zinc/62/75/93/1341627593.db2.gz MNUFUEINNHXRJQ-KBPBESRZSA-N 1 2 328.799 3.008 20 30 EGEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2cccc(Cl)c2o1 ZINC001032823597 1341627594 /nfs/dbraw/zinc/62/75/94/1341627594.db2.gz MNUFUEINNHXRJQ-KBPBESRZSA-N 1 2 328.799 3.008 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C)c2)C1 ZINC001032880632 1341649009 /nfs/dbraw/zinc/64/90/09/1341649009.db2.gz PZZRUOCZMRWLNH-HNNXBMFYSA-N 1 2 337.261 3.050 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C)c2)C1 ZINC001032880632 1341649010 /nfs/dbraw/zinc/64/90/10/1341649010.db2.gz PZZRUOCZMRWLNH-HNNXBMFYSA-N 1 2 337.261 3.050 20 30 EGEDLO CN(C(=O)C1CC(C)(C)C1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033051107 1341708699 /nfs/dbraw/zinc/70/86/99/1341708699.db2.gz GYCLEJZWPZULBC-GOSISDBHSA-N 1 2 343.446 3.166 20 30 EGEDLO CN(C(=O)C1CC(C)(C)C1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033051107 1341708701 /nfs/dbraw/zinc/70/87/01/1341708701.db2.gz GYCLEJZWPZULBC-GOSISDBHSA-N 1 2 343.446 3.166 20 30 EGEDLO CC(C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1)=C1CCC1 ZINC001033065167 1341713289 /nfs/dbraw/zinc/71/32/89/1341713289.db2.gz DLHKZVBKLLSMMG-IBGZPJMESA-N 1 2 341.430 3.230 20 30 EGEDLO CC(C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1)=C1CCC1 ZINC001033065167 1341713290 /nfs/dbraw/zinc/71/32/90/1341713290.db2.gz DLHKZVBKLLSMMG-IBGZPJMESA-N 1 2 341.430 3.230 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc3ccccc3nc2C)C1 ZINC001033124137 1341732583 /nfs/dbraw/zinc/73/25/83/1341732583.db2.gz VHJDWRZFTGKLBZ-MRXNPFEDSA-N 1 2 343.858 3.442 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3ccccc3nc2C)C1 ZINC001033124137 1341732584 /nfs/dbraw/zinc/73/25/84/1341732584.db2.gz VHJDWRZFTGKLBZ-MRXNPFEDSA-N 1 2 343.858 3.442 20 30 EGEDLO C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)c2c(Cl)[nH]nc2C2CC2)C1 ZINC001033138805 1341737391 /nfs/dbraw/zinc/73/73/91/1341737391.db2.gz GPFDHBVEOPKLHM-ZDUSSCGKSA-N 1 2 336.867 3.053 20 30 EGEDLO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2c(Cl)[nH]nc2C2CC2)C1 ZINC001033138805 1341737394 /nfs/dbraw/zinc/73/73/94/1341737394.db2.gz GPFDHBVEOPKLHM-ZDUSSCGKSA-N 1 2 336.867 3.053 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2nccc3ccsc32)C1 ZINC001033163932 1341741775 /nfs/dbraw/zinc/74/17/75/1341741775.db2.gz WBDBTSFBCXNGGU-ZDUSSCGKSA-N 1 2 335.860 3.195 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2nccc3ccsc32)C1 ZINC001033163932 1341741776 /nfs/dbraw/zinc/74/17/76/1341741776.db2.gz WBDBTSFBCXNGGU-ZDUSSCGKSA-N 1 2 335.860 3.195 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)C(C)(C)CO3)C1 ZINC001033254480 1341760006 /nfs/dbraw/zinc/76/00/06/1341760006.db2.gz DCGZBVLPGZPYQI-HNNXBMFYSA-N 1 2 348.874 3.255 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)C(C)(C)CO3)C1 ZINC001033254480 1341760009 /nfs/dbraw/zinc/76/00/09/1341760009.db2.gz DCGZBVLPGZPYQI-HNNXBMFYSA-N 1 2 348.874 3.255 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(F)c(F)cc2F)C1 ZINC001033385161 1341805432 /nfs/dbraw/zinc/80/54/32/1341805432.db2.gz USSDCDATHFOREU-JTQLQIEISA-N 1 2 332.753 3.003 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(F)c(F)cc2F)C1 ZINC001033385161 1341805433 /nfs/dbraw/zinc/80/54/33/1341805433.db2.gz USSDCDATHFOREU-JTQLQIEISA-N 1 2 332.753 3.003 20 30 EGEDLO CN(C(=O)[C@H]1CCC1(C)C)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033349314 1341791535 /nfs/dbraw/zinc/79/15/35/1341791535.db2.gz IDTXKCHCZLQYDJ-ZWKOTPCHSA-N 1 2 343.446 3.166 20 30 EGEDLO CN(C(=O)[C@H]1CCC1(C)C)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033349314 1341791536 /nfs/dbraw/zinc/79/15/36/1341791536.db2.gz IDTXKCHCZLQYDJ-ZWKOTPCHSA-N 1 2 343.446 3.166 20 30 EGEDLO CN(C(=O)[C@@H]1CCC1(C)C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033349307 1341791571 /nfs/dbraw/zinc/79/15/71/1341791571.db2.gz IDTXKCHCZLQYDJ-MSOLQXFVSA-N 1 2 343.446 3.166 20 30 EGEDLO CN(C(=O)[C@@H]1CCC1(C)C)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033349307 1341791572 /nfs/dbraw/zinc/79/15/72/1341791572.db2.gz IDTXKCHCZLQYDJ-MSOLQXFVSA-N 1 2 343.446 3.166 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C2CCC(=C)CC2)C1 ZINC001033388862 1341808199 /nfs/dbraw/zinc/80/81/99/1341808199.db2.gz FZFMLOJAPJFESE-OAHLLOKOSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CCC(=C)CC2)C1 ZINC001033388862 1341808200 /nfs/dbraw/zinc/80/82/00/1341808200.db2.gz FZFMLOJAPJFESE-OAHLLOKOSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2(c3cccc(F)c3)CC2)C1 ZINC001033466442 1341836810 /nfs/dbraw/zinc/83/68/10/1341836810.db2.gz DYIYVLWSIJWMIF-MRXNPFEDSA-N 1 2 336.838 3.143 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(c3cccc(F)c3)CC2)C1 ZINC001033466442 1341836811 /nfs/dbraw/zinc/83/68/11/1341836811.db2.gz DYIYVLWSIJWMIF-MRXNPFEDSA-N 1 2 336.838 3.143 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC001033503644 1341849965 /nfs/dbraw/zinc/84/99/65/1341849965.db2.gz XPWVWOFQKXDESF-KURKYZTESA-N 1 2 348.874 3.049 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC001033503644 1341849968 /nfs/dbraw/zinc/84/99/68/1341849968.db2.gz XPWVWOFQKXDESF-KURKYZTESA-N 1 2 348.874 3.049 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001033517855 1341855237 /nfs/dbraw/zinc/85/52/37/1341855237.db2.gz IMXAALFJZKFSKJ-DLBZAZTESA-N 1 2 332.875 3.392 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001033517855 1341855238 /nfs/dbraw/zinc/85/52/38/1341855238.db2.gz IMXAALFJZKFSKJ-DLBZAZTESA-N 1 2 332.875 3.392 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3ccncc3c2)C1 ZINC001033559337 1341871909 /nfs/dbraw/zinc/87/19/09/1341871909.db2.gz ZUIUMMJFPUQKSA-KRWDZBQOSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3ccncc3c2)C1 ZINC001033559337 1341871911 /nfs/dbraw/zinc/87/19/11/1341871911.db2.gz ZUIUMMJFPUQKSA-KRWDZBQOSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCC3(CCC3)CO2)C1 ZINC001033603854 1341894462 /nfs/dbraw/zinc/89/44/62/1341894462.db2.gz WGELPIMVBXBPHZ-JKSUJKDBSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCC3(CCC3)CO2)C1 ZINC001033603854 1341894465 /nfs/dbraw/zinc/89/44/65/1341894465.db2.gz WGELPIMVBXBPHZ-JKSUJKDBSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001033695301 1341960853 /nfs/dbraw/zinc/96/08/53/1341960853.db2.gz HWNOGZMSBGRSHK-SWLSCSKDSA-N 1 2 339.266 3.265 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001033695301 1341960855 /nfs/dbraw/zinc/96/08/55/1341960855.db2.gz HWNOGZMSBGRSHK-SWLSCSKDSA-N 1 2 339.266 3.265 20 30 EGEDLO CCN(C(=O)c1ccco1)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033724087 1341977125 /nfs/dbraw/zinc/97/71/25/1341977125.db2.gz AHQHFYFFGLGAJU-SFHVURJKSA-N 1 2 340.398 3.007 20 30 EGEDLO CCN(C(=O)c1ccco1)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033724087 1341977127 /nfs/dbraw/zinc/97/71/27/1341977127.db2.gz AHQHFYFFGLGAJU-SFHVURJKSA-N 1 2 340.398 3.007 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@H+](Cc3cc(C)on3)C2)CC1 ZINC001033944005 1342105160 /nfs/dbraw/zinc/10/51/60/1342105160.db2.gz CTNQTJJGJRSXAH-SFHVURJKSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](Cc3cc(C)on3)C2)CC1 ZINC001033944005 1342105161 /nfs/dbraw/zinc/10/51/61/1342105161.db2.gz CTNQTJJGJRSXAH-SFHVURJKSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@@H+]([C@@H](C)c3nc(C)no3)C2)CC1 ZINC001033950184 1342108949 /nfs/dbraw/zinc/10/89/49/1342108949.db2.gz MMHGXIKMVIZMEL-YOEHRIQHSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@H+]([C@@H](C)c3nc(C)no3)C2)CC1 ZINC001033950184 1342108950 /nfs/dbraw/zinc/10/89/50/1342108950.db2.gz MMHGXIKMVIZMEL-YOEHRIQHSA-N 1 2 346.475 3.108 20 30 EGEDLO O=C(N[C@H]1CCCC[N@@H+](CC#Cc2ccccc2Cl)C1)C1CC1 ZINC001034066552 1342205701 /nfs/dbraw/zinc/20/57/01/1342205701.db2.gz QHEQSBOXMWJRQX-KRWDZBQOSA-N 1 2 330.859 3.072 20 30 EGEDLO O=C(N[C@H]1CCCC[N@H+](CC#Cc2ccccc2Cl)C1)C1CC1 ZINC001034066552 1342205704 /nfs/dbraw/zinc/20/57/04/1342205704.db2.gz QHEQSBOXMWJRQX-KRWDZBQOSA-N 1 2 330.859 3.072 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)c2ccoc2C)C1 ZINC001034092207 1342231754 /nfs/dbraw/zinc/23/17/54/1342231754.db2.gz UZAILPNNSIYDDD-CYBMUJFWSA-N 1 2 341.249 3.081 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccoc2C)C1 ZINC001034092207 1342231756 /nfs/dbraw/zinc/23/17/56/1342231756.db2.gz UZAILPNNSIYDDD-CYBMUJFWSA-N 1 2 341.249 3.081 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)C(C)=C2CCC2)C1 ZINC001034203039 1342313038 /nfs/dbraw/zinc/31/30/38/1342313038.db2.gz CTXRYSJZIXHGAZ-OAHLLOKOSA-N 1 2 341.293 3.366 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)C(C)=C2CCC2)C1 ZINC001034203039 1342313043 /nfs/dbraw/zinc/31/30/43/1342313043.db2.gz CTXRYSJZIXHGAZ-OAHLLOKOSA-N 1 2 341.293 3.366 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC001034203035 1342313264 /nfs/dbraw/zinc/31/32/64/1342313264.db2.gz CTXRYSJZIXHGAZ-HNNXBMFYSA-N 1 2 341.293 3.366 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC001034203035 1342313275 /nfs/dbraw/zinc/31/32/75/1342313275.db2.gz CTXRYSJZIXHGAZ-HNNXBMFYSA-N 1 2 341.293 3.366 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)C2(C3CC3)CC2)C1 ZINC001034259094 1342352712 /nfs/dbraw/zinc/35/27/12/1342352712.db2.gz OBXQAMWXGGQIQA-CQSZACIVSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)C2(C3CC3)CC2)C1 ZINC001034259094 1342352716 /nfs/dbraw/zinc/35/27/16/1342352716.db2.gz OBXQAMWXGGQIQA-CQSZACIVSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001034297149 1342380900 /nfs/dbraw/zinc/38/09/00/1342380900.db2.gz QKBZICWITUIOGT-INIZCTEOSA-N 1 2 333.863 3.296 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001034297149 1342380905 /nfs/dbraw/zinc/38/09/05/1342380905.db2.gz QKBZICWITUIOGT-INIZCTEOSA-N 1 2 333.863 3.296 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)C2(C)CCCC2)C1 ZINC001034334020 1342408610 /nfs/dbraw/zinc/40/86/10/1342408610.db2.gz XPBATZCKEYHQJM-CQSZACIVSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)C2(C)CCCC2)C1 ZINC001034334020 1342408614 /nfs/dbraw/zinc/40/86/14/1342408614.db2.gz XPBATZCKEYHQJM-CQSZACIVSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@@H+]([C@@H](C)c3nc(C)no3)C2)CC1 ZINC001034383138 1342451581 /nfs/dbraw/zinc/45/15/81/1342451581.db2.gz WFQMRGUAOPJFSD-WMLDXEAASA-N 1 2 346.475 3.156 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@H+]([C@@H](C)c3nc(C)no3)C2)CC1 ZINC001034383138 1342451586 /nfs/dbraw/zinc/45/15/86/1342451586.db2.gz WFQMRGUAOPJFSD-WMLDXEAASA-N 1 2 346.475 3.156 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cncc(Cl)c2)C1 ZINC001034452420 1342510700 /nfs/dbraw/zinc/51/07/00/1342510700.db2.gz MLGIYIQDLGOSOQ-AWEZNQCLSA-N 1 2 328.243 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cncc(Cl)c2)C1 ZINC001034452420 1342510701 /nfs/dbraw/zinc/51/07/01/1342510701.db2.gz MLGIYIQDLGOSOQ-AWEZNQCLSA-N 1 2 328.243 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cn(C(C)C)nc2C)C1 ZINC001034483401 1342540403 /nfs/dbraw/zinc/54/04/03/1342540403.db2.gz RHXRFBOWPNEIQD-HNNXBMFYSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cn(C(C)C)nc2C)C1 ZINC001034483401 1342540407 /nfs/dbraw/zinc/54/04/07/1342540407.db2.gz RHXRFBOWPNEIQD-HNNXBMFYSA-N 1 2 338.883 3.109 20 30 EGEDLO CC(C)(C)C(=O)N[C@H]1CCCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001034495750 1342552018 /nfs/dbraw/zinc/55/20/18/1342552018.db2.gz NHDNBFAKDRJZKG-KRWDZBQOSA-N 1 2 331.435 3.214 20 30 EGEDLO CC(C)(C)C(=O)N[C@H]1CCCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001034495750 1342552020 /nfs/dbraw/zinc/55/20/20/1342552020.db2.gz NHDNBFAKDRJZKG-KRWDZBQOSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C(C)(C)C)s2)C1 ZINC001035611061 1343100831 /nfs/dbraw/zinc/10/08/31/1343100831.db2.gz QGRAYFSTMUYKKY-CQSZACIVSA-N 1 2 336.501 3.052 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(C(C)(C)C)s2)C1 ZINC001035611061 1343100832 /nfs/dbraw/zinc/10/08/32/1343100832.db2.gz QGRAYFSTMUYKKY-CQSZACIVSA-N 1 2 336.501 3.052 20 30 EGEDLO C[C@@H](C#N)C(=O)N1CCC2(C[NH+]([C@@H](C)c3c(F)cccc3F)C2)CC1 ZINC001035669622 1343129811 /nfs/dbraw/zinc/12/98/11/1343129811.db2.gz UDEKJJPHKXGSAB-KBPBESRZSA-N 1 2 347.409 3.110 20 30 EGEDLO C[C@@H](C#N)C(=O)N1CCC2(C[NH+](Cc3ccc(Cl)cc3F)C2)CC1 ZINC001035674354 1343132547 /nfs/dbraw/zinc/13/25/47/1343132547.db2.gz VCCXXMWCASNUOF-ZDUSSCGKSA-N 1 2 349.837 3.063 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cc3n(c1)CCCC3)CC2 ZINC001035864490 1343238828 /nfs/dbraw/zinc/23/88/28/1343238828.db2.gz HAUGZFXLDDQZGC-UHFFFAOYSA-N 1 2 347.890 3.115 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)C2CCCCCC2)cc1F ZINC001038104784 1344280459 /nfs/dbraw/zinc/28/04/59/1344280459.db2.gz OFSJRVFZDXNUOD-SFHVURJKSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)C2CCCCCC2)cc1F ZINC001038104784 1344280461 /nfs/dbraw/zinc/28/04/61/1344280461.db2.gz OFSJRVFZDXNUOD-SFHVURJKSA-N 1 2 343.446 3.358 20 30 EGEDLO CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001038268542 1344349185 /nfs/dbraw/zinc/34/91/85/1344349185.db2.gz GZHIXHOHLZWTPX-GRDNDAEWSA-N 1 2 345.512 3.383 20 30 EGEDLO CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001038268542 1344349187 /nfs/dbraw/zinc/34/91/87/1344349187.db2.gz GZHIXHOHLZWTPX-GRDNDAEWSA-N 1 2 345.512 3.383 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccc3occc3c2)c1 ZINC001038289526 1344360950 /nfs/dbraw/zinc/36/09/50/1344360950.db2.gz TZKQLZBFSUZZFB-IBGZPJMESA-N 1 2 345.402 3.309 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccc3occc3c2)c1 ZINC001038289526 1344360955 /nfs/dbraw/zinc/36/09/55/1344360955.db2.gz TZKQLZBFSUZZFB-IBGZPJMESA-N 1 2 345.402 3.309 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+]2Cc2c(C)nsc2C)CC1 ZINC001038662843 1344527912 /nfs/dbraw/zinc/52/79/12/1344527912.db2.gz UWVFCNPYWLJXTL-INIZCTEOSA-N 1 2 333.501 3.197 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+]2Cc2c(C)nsc2C)CC1 ZINC001038662843 1344527914 /nfs/dbraw/zinc/52/79/14/1344527914.db2.gz UWVFCNPYWLJXTL-INIZCTEOSA-N 1 2 333.501 3.197 20 30 EGEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1CCCC(F)(F)C1 ZINC001038688042 1344542620 /nfs/dbraw/zinc/54/26/20/1344542620.db2.gz KGERRDUDDGVUFD-ROUUACIJSA-N 1 2 346.421 3.054 20 30 EGEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1CCCC(F)(F)C1 ZINC001038688042 1344542621 /nfs/dbraw/zinc/54/26/21/1344542621.db2.gz KGERRDUDDGVUFD-ROUUACIJSA-N 1 2 346.421 3.054 20 30 EGEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)c1cc[nH]c1C1CCC1 ZINC001038708378 1344549324 /nfs/dbraw/zinc/54/93/24/1344549324.db2.gz OZCPJYBHKAIMEL-LJQANCHMSA-N 1 2 347.462 3.138 20 30 EGEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)c1cc[nH]c1C1CCC1 ZINC001038708378 1344549330 /nfs/dbraw/zinc/54/93/30/1344549330.db2.gz OZCPJYBHKAIMEL-LJQANCHMSA-N 1 2 347.462 3.138 20 30 EGEDLO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)c(F)c1 ZINC001038743626 1344563996 /nfs/dbraw/zinc/56/39/96/1344563996.db2.gz QCHRERFNEXUDCU-KRWDZBQOSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)c(F)c1 ZINC001038743626 1344563999 /nfs/dbraw/zinc/56/39/99/1344563999.db2.gz QCHRERFNEXUDCU-KRWDZBQOSA-N 1 2 337.398 3.010 20 30 EGEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)c1ccc2c(c1)CCC2 ZINC001039004224 1344710828 /nfs/dbraw/zinc/71/08/28/1344710828.db2.gz VRAJIZFOJCGNRS-QFIPXVFZSA-N 1 2 344.458 3.031 20 30 EGEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)c1ccc2c(c1)CCC2 ZINC001039004224 1344710832 /nfs/dbraw/zinc/71/08/32/1344710832.db2.gz VRAJIZFOJCGNRS-QFIPXVFZSA-N 1 2 344.458 3.031 20 30 EGEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1CC2CCC1CC2 ZINC001039048935 1344733953 /nfs/dbraw/zinc/73/39/53/1344733953.db2.gz LAKISQYBOYKSHJ-JSRAGOMMSA-N 1 2 336.479 3.055 20 30 EGEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1CC2CCC1CC2 ZINC001039048935 1344733956 /nfs/dbraw/zinc/73/39/56/1344733956.db2.gz LAKISQYBOYKSHJ-JSRAGOMMSA-N 1 2 336.479 3.055 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OC)c1C ZINC001039443025 1345068799 /nfs/dbraw/zinc/06/87/99/1345068799.db2.gz FWBCCUWCQBLOTB-CVEARBPZSA-N 1 2 348.874 3.435 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OC)c1C ZINC001039443025 1345068801 /nfs/dbraw/zinc/06/88/01/1345068801.db2.gz FWBCCUWCQBLOTB-CVEARBPZSA-N 1 2 348.874 3.435 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1cccnc1 ZINC001039460305 1345079057 /nfs/dbraw/zinc/07/90/57/1345079057.db2.gz JWSHDQCBTXEJQR-UAGQMJEPSA-N 1 2 333.863 3.003 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1cccnc1 ZINC001039460305 1345079060 /nfs/dbraw/zinc/07/90/60/1345079060.db2.gz JWSHDQCBTXEJQR-UAGQMJEPSA-N 1 2 333.863 3.003 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1oc(C)nc1C ZINC001039820695 1345199214 /nfs/dbraw/zinc/19/92/14/1345199214.db2.gz LMYYYXVJMRKBDP-IYBDPMFKSA-N 1 2 331.460 3.069 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1oc(C)nc1C ZINC001039820695 1345199215 /nfs/dbraw/zinc/19/92/15/1345199215.db2.gz LMYYYXVJMRKBDP-IYBDPMFKSA-N 1 2 331.460 3.069 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1c(C)noc1C ZINC001039895643 1345238334 /nfs/dbraw/zinc/23/83/34/1345238334.db2.gz WHXCEXGXJKSSFH-FUHIMQAGSA-N 1 2 345.487 3.459 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1c(C)noc1C ZINC001039895643 1345238339 /nfs/dbraw/zinc/23/83/39/1345238339.db2.gz WHXCEXGXJKSSFH-FUHIMQAGSA-N 1 2 345.487 3.459 20 30 EGEDLO CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001039981640 1345279222 /nfs/dbraw/zinc/27/92/22/1345279222.db2.gz OVASTFMYBNTTML-HDICACEKSA-N 1 2 325.456 3.170 20 30 EGEDLO CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001039981640 1345279226 /nfs/dbraw/zinc/27/92/26/1345279226.db2.gz OVASTFMYBNTTML-HDICACEKSA-N 1 2 325.456 3.170 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](C/C(Cl)=C/Cl)[C@@H]2C1 ZINC001042181184 1345969467 /nfs/dbraw/zinc/96/94/67/1345969467.db2.gz DQJBIVOMVHGCDM-OIZKETEYSA-N 1 2 331.287 3.440 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](C/C(Cl)=C/Cl)[C@@H]2C1 ZINC001042181184 1345969468 /nfs/dbraw/zinc/96/94/68/1345969468.db2.gz DQJBIVOMVHGCDM-OIZKETEYSA-N 1 2 331.287 3.440 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3ncc(C4CC4)o3)[C@H]2C1 ZINC001042187486 1345974162 /nfs/dbraw/zinc/97/41/62/1345974162.db2.gz MYAKSGMHEGSEMJ-HOCLYGCPSA-N 1 2 343.471 3.187 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3ncc(C4CC4)o3)[C@H]2C1 ZINC001042187486 1345974166 /nfs/dbraw/zinc/97/41/66/1345974166.db2.gz MYAKSGMHEGSEMJ-HOCLYGCPSA-N 1 2 343.471 3.187 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3occc3Cl)C[C@@H]21 ZINC001042222490 1345993646 /nfs/dbraw/zinc/99/36/46/1345993646.db2.gz UVYMSDDGVZIHRP-AAEUAGOBSA-N 1 2 329.227 3.222 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3occc3Cl)C[C@@H]21 ZINC001042222490 1345993650 /nfs/dbraw/zinc/99/36/50/1345993650.db2.gz UVYMSDDGVZIHRP-AAEUAGOBSA-N 1 2 329.227 3.222 20 30 EGEDLO CC(C)c1cc(N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC001043099341 1346140037 /nfs/dbraw/zinc/14/00/37/1346140037.db2.gz PJJYHSXURVZSHO-IIAWOOMASA-N 1 2 343.475 3.142 20 30 EGEDLO C=C1CCC(C(=O)N(C)C2C[NH+](CCOc3ccc(F)cc3)C2)CC1 ZINC001043759872 1346204903 /nfs/dbraw/zinc/20/49/03/1346204903.db2.gz NHWLWHSVNHUPFK-UHFFFAOYSA-N 1 2 346.446 3.094 20 30 EGEDLO C[C@@]1(NC(=O)C2CC=CC2)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001046210612 1346890510 /nfs/dbraw/zinc/89/05/10/1346890510.db2.gz RLLNRVNNZCUFOJ-HXUWFJFHSA-N 1 2 342.870 3.238 20 30 EGEDLO C[C@@]1(NC(=O)C2CC=CC2)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001046210612 1346890512 /nfs/dbraw/zinc/89/05/12/1346890512.db2.gz RLLNRVNNZCUFOJ-HXUWFJFHSA-N 1 2 342.870 3.238 20 30 EGEDLO C[C@@]1(NC(=O)c2sccc2F)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046296968 1346926501 /nfs/dbraw/zinc/92/65/01/1346926501.db2.gz WAKYSDHXOGZFAR-GOSISDBHSA-N 1 2 343.427 3.153 20 30 EGEDLO C[C@@]1(NC(=O)c2sccc2F)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046296968 1346926503 /nfs/dbraw/zinc/92/65/03/1346926503.db2.gz WAKYSDHXOGZFAR-GOSISDBHSA-N 1 2 343.427 3.153 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001046479874 1346989338 /nfs/dbraw/zinc/98/93/38/1346989338.db2.gz LJQKCMBZOFYJQA-IOASZLSFSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001046479874 1346989339 /nfs/dbraw/zinc/98/93/39/1346989339.db2.gz LJQKCMBZOFYJQA-IOASZLSFSA-N 1 2 343.309 3.158 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](CC=C(Cl)Cl)C2)cc1 ZINC001046533900 1347006781 /nfs/dbraw/zinc/00/67/81/1347006781.db2.gz YFDVTKKFJNVNCM-KRWDZBQOSA-N 1 2 337.250 3.181 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](CC=C(Cl)Cl)C2)cc1 ZINC001046533900 1347006783 /nfs/dbraw/zinc/00/67/83/1347006783.db2.gz YFDVTKKFJNVNCM-KRWDZBQOSA-N 1 2 337.250 3.181 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(C)c(F)c2F)C1 ZINC001046643853 1347045841 /nfs/dbraw/zinc/04/58/41/1347045841.db2.gz ZLCFFQHVICDTLR-INIZCTEOSA-N 1 2 328.790 3.220 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C)c(F)c2F)C1 ZINC001046643853 1347045843 /nfs/dbraw/zinc/04/58/43/1347045843.db2.gz ZLCFFQHVICDTLR-INIZCTEOSA-N 1 2 328.790 3.220 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(-c3cn[nH]c3)cc2)C1 ZINC001046699921 1347066131 /nfs/dbraw/zinc/06/61/31/1347066131.db2.gz TWJKSLNZVXLPAN-GOSISDBHSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(-c3cn[nH]c3)cc2)C1 ZINC001046699921 1347066133 /nfs/dbraw/zinc/06/61/33/1347066133.db2.gz TWJKSLNZVXLPAN-GOSISDBHSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(F)c3ncccc3c2)C1 ZINC001046706665 1347068930 /nfs/dbraw/zinc/06/89/30/1347068930.db2.gz LJJBBSGEUDPFKN-GOSISDBHSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(F)c3ncccc3c2)C1 ZINC001046706665 1347068931 /nfs/dbraw/zinc/06/89/31/1347068931.db2.gz LJJBBSGEUDPFKN-GOSISDBHSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2coc(C3CCCC3)n2)C1 ZINC001046740353 1347078303 /nfs/dbraw/zinc/07/83/03/1347078303.db2.gz RYRIPGPJAACTTC-QGZVFWFLSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2coc(C3CCCC3)n2)C1 ZINC001046740353 1347078304 /nfs/dbraw/zinc/07/83/04/1347078304.db2.gz RYRIPGPJAACTTC-QGZVFWFLSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(C)[nH]c2C)C1 ZINC001046980726 1347175626 /nfs/dbraw/zinc/17/56/26/1347175626.db2.gz NJGOCSASILCOJW-CYBMUJFWSA-N 1 2 345.821 3.071 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(C)[nH]c2C)C1 ZINC001046980726 1347175630 /nfs/dbraw/zinc/17/56/30/1347175630.db2.gz NJGOCSASILCOJW-CYBMUJFWSA-N 1 2 345.821 3.071 20 30 EGEDLO CC(C)(F)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001049284232 1347769575 /nfs/dbraw/zinc/76/95/75/1347769575.db2.gz IXTFKBJTCWFSOT-IRXDYDNUSA-N 1 2 347.409 3.011 20 30 EGEDLO CC(C)(F)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001049284232 1347769576 /nfs/dbraw/zinc/76/95/76/1347769576.db2.gz IXTFKBJTCWFSOT-IRXDYDNUSA-N 1 2 347.409 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(Cl)o1 ZINC001049322582 1347789879 /nfs/dbraw/zinc/78/98/79/1347789879.db2.gz NHLJBKXRJZPKKJ-NWDGAFQWSA-N 1 2 329.227 3.364 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(Cl)o1 ZINC001049322582 1347789880 /nfs/dbraw/zinc/78/98/80/1347789880.db2.gz NHLJBKXRJZPKKJ-NWDGAFQWSA-N 1 2 329.227 3.364 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1c(C)onc1C1CC1 ZINC001049598221 1347929763 /nfs/dbraw/zinc/92/97/63/1347929763.db2.gz LKPAMQFTHCTSGG-CABCVRRESA-N 1 2 349.862 3.292 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1c(C)onc1C1CC1 ZINC001049598221 1347929764 /nfs/dbraw/zinc/92/97/64/1347929764.db2.gz LKPAMQFTHCTSGG-CABCVRRESA-N 1 2 349.862 3.292 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ncc(CC)o1 ZINC001049633936 1347945688 /nfs/dbraw/zinc/94/56/88/1347945688.db2.gz NYHFCANILKURFR-IAGOWNOFSA-N 1 2 345.487 3.405 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ncc(CC)o1 ZINC001049633936 1347945693 /nfs/dbraw/zinc/94/56/93/1347945693.db2.gz NYHFCANILKURFR-IAGOWNOFSA-N 1 2 345.487 3.405 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ncc(CC)o1 ZINC001049692838 1347975337 /nfs/dbraw/zinc/97/53/37/1347975337.db2.gz IQSMHRVSRMSEEW-SQGPQFPESA-N 1 2 345.487 3.405 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ncc(CC)o1 ZINC001049692838 1347975340 /nfs/dbraw/zinc/97/53/40/1347975340.db2.gz IQSMHRVSRMSEEW-SQGPQFPESA-N 1 2 345.487 3.405 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3Cc2ncc(CC)o2)C1 ZINC001049709699 1347985489 /nfs/dbraw/zinc/98/54/89/1347985489.db2.gz RUPXPIJNFNLZBE-IRXDYDNUSA-N 1 2 343.471 3.159 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3Cc2ncc(CC)o2)C1 ZINC001049709699 1347985490 /nfs/dbraw/zinc/98/54/90/1347985490.db2.gz RUPXPIJNFNLZBE-IRXDYDNUSA-N 1 2 343.471 3.159 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1CC ZINC001049739238 1347994809 /nfs/dbraw/zinc/99/48/09/1347994809.db2.gz YCLRHURSJPLVCD-APIJFGDWSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1CC ZINC001049739238 1347994812 /nfs/dbraw/zinc/99/48/12/1347994812.db2.gz YCLRHURSJPLVCD-APIJFGDWSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(CCC)on1 ZINC001049822235 1348039092 /nfs/dbraw/zinc/03/90/92/1348039092.db2.gz LTVSJGIWVYOISX-CVEARBPZSA-N 1 2 337.851 3.059 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(CCC)on1 ZINC001049822235 1348039095 /nfs/dbraw/zinc/03/90/95/1348039095.db2.gz LTVSJGIWVYOISX-CVEARBPZSA-N 1 2 337.851 3.059 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1c(C)nsc1C ZINC001049919081 1348111907 /nfs/dbraw/zinc/11/19/07/1348111907.db2.gz 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C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(CC)c(C)s1 ZINC001051239027 1348407750 /nfs/dbraw/zinc/40/77/50/1348407750.db2.gz GDZBGXBVDIQLAO-INIZCTEOSA-N 1 2 336.501 3.016 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(CC)c(C)s1 ZINC001051239027 1348407752 /nfs/dbraw/zinc/40/77/52/1348407752.db2.gz GDZBGXBVDIQLAO-INIZCTEOSA-N 1 2 336.501 3.016 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCOC2(C[NH+]([C@@H](CC)c3ccccc3)C2)C1 ZINC001053374673 1349014327 /nfs/dbraw/zinc/01/43/27/1349014327.db2.gz JSIURQCQGLMWCH-SFHVURJKSA-N 1 2 342.483 3.263 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](CC)CC1CCCC1)CCO2 ZINC001053455924 1349036789 /nfs/dbraw/zinc/03/67/89/1349036789.db2.gz JEFKTLXBVRPRLQ-GOSISDBHSA-N 1 2 334.504 3.082 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CC(C)(C)C1CCCCC1)CCO2 ZINC001053507905 1349050108 /nfs/dbraw/zinc/05/01/08/1349050108.db2.gz UWMQXZGMZVXENZ-UHFFFAOYSA-N 1 2 348.531 3.472 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCCC1(C)C)O2 ZINC001053701423 1349098683 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336.479 3.468 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc4cnccc4c3)cc2C1 ZINC001054288161 1349290985 /nfs/dbraw/zinc/29/09/85/1349290985.db2.gz MDEBKGMIGYTWAV-UHFFFAOYSA-N 1 2 341.414 3.114 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc4cnccc4c3)cc2C1 ZINC001054288161 1349290988 /nfs/dbraw/zinc/29/09/88/1349290988.db2.gz MDEBKGMIGYTWAV-UHFFFAOYSA-N 1 2 341.414 3.114 20 30 EGEDLO C=C1CCC(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CC1 ZINC001055999596 1349713621 /nfs/dbraw/zinc/71/36/21/1349713621.db2.gz ZBFNLBINGKJQDC-UHFFFAOYSA-N 1 2 342.487 3.303 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@@H](Nc3nc(C)[nH+]c4c3CCCC4)C2)C1 ZINC001056772326 1349935179 /nfs/dbraw/zinc/93/51/79/1349935179.db2.gz HYCMKEKXRWFKJO-OAHLLOKOSA-N 1 2 340.471 3.033 20 30 EGEDLO C=C[C@@H](C(=O)N1CC[C@H](CNc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001060882500 1351165246 /nfs/dbraw/zinc/16/52/46/1351165246.db2.gz KDAXKZCVEHFCLC-SJLPKXTDSA-N 1 2 336.439 3.015 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC([C@H](C)Nc2cc[nH+]c(C)n2)CC1 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330.428 3.210 20 30 EGEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c(cccc2F)s1 ZINC001085962444 1358920602 /nfs/dbraw/zinc/92/06/02/1358920602.db2.gz GSIOZCAQGNRKEQ-CYBMUJFWSA-N 1 2 330.428 3.210 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)c2ccco2)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001071313206 1354573253 /nfs/dbraw/zinc/57/32/53/1354573253.db2.gz WFFNRZWELOIKMS-YJBOKZPZSA-N 1 2 340.398 3.053 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)c2ccco2)C[N@H+]1CC#Cc1ccc(F)cc1 ZINC001071313206 1354573255 /nfs/dbraw/zinc/57/32/55/1354573255.db2.gz WFFNRZWELOIKMS-YJBOKZPZSA-N 1 2 340.398 3.053 20 30 EGEDLO Cc1ccncc1C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001071406373 1354670244 /nfs/dbraw/zinc/67/02/44/1354670244.db2.gz JVVRBCFYRGUIKB-APWZRJJASA-N 1 2 348.450 3.045 20 30 EGEDLO Cc1ccncc1C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001071406373 1354670248 /nfs/dbraw/zinc/67/02/48/1354670248.db2.gz JVVRBCFYRGUIKB-APWZRJJASA-N 1 2 348.450 3.045 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc(C(F)F)nc2)CC[C@@H]1C 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/nfs/dbraw/zinc/84/71/67/1354847167.db2.gz ORKOGHGUKTXHBQ-HUUCEWRRSA-N 1 2 331.847 3.275 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2c[nH]nc2-c2ccoc2)CC[C@@H]1C ZINC001071702243 1354861316 /nfs/dbraw/zinc/86/13/16/1354861316.db2.gz WGVJSBATKYTNNY-GXTWGEPZSA-N 1 2 348.834 3.005 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2c[nH]nc2-c2ccoc2)CC[C@@H]1C ZINC001071702243 1354861324 /nfs/dbraw/zinc/86/13/24/1354861324.db2.gz WGVJSBATKYTNNY-GXTWGEPZSA-N 1 2 348.834 3.005 20 30 EGEDLO Cc1cocc1C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001071743531 1354895045 /nfs/dbraw/zinc/89/50/45/1354895045.db2.gz ACNAUUPJYYBVBA-CRAIPNDOSA-N 1 2 337.423 3.243 20 30 EGEDLO Cc1cocc1C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001071743531 1354895049 /nfs/dbraw/zinc/89/50/49/1354895049.db2.gz ACNAUUPJYYBVBA-CRAIPNDOSA-N 1 2 337.423 3.243 20 30 EGEDLO Cc1coc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3ccc(C#N)s3)C2)c1 ZINC001071748715 1354898848 /nfs/dbraw/zinc/89/88/48/1354898848.db2.gz QIXJKGZCVDYEHN-KBPBESRZSA-N 1 2 343.452 3.304 20 30 EGEDLO Cc1coc(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3ccc(C#N)s3)C2)c1 ZINC001071748715 1354898854 /nfs/dbraw/zinc/89/88/54/1354898854.db2.gz QIXJKGZCVDYEHN-KBPBESRZSA-N 1 2 343.452 3.304 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2c(C)[nH]nc2C(C)C)CC[C@H]1C ZINC001071976761 1355056912 /nfs/dbraw/zinc/05/69/12/1355056912.db2.gz HZJDUWUQKLXXHM-OCCSQVGLSA-N 1 2 338.883 3.177 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2c(C)[nH]nc2C(C)C)CC[C@H]1C ZINC001071976761 1355056916 /nfs/dbraw/zinc/05/69/16/1355056916.db2.gz HZJDUWUQKLXXHM-OCCSQVGLSA-N 1 2 338.883 3.177 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc(F)cc2F)CC[C@H]1C ZINC001072041344 1355099188 /nfs/dbraw/zinc/09/91/88/1355099188.db2.gz WZJQYWGDFAJFDK-DGCLKSJQSA-N 1 2 328.790 3.300 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc(F)cc2F)CC[C@H]1C ZINC001072041344 1355099193 /nfs/dbraw/zinc/09/91/93/1355099193.db2.gz WZJQYWGDFAJFDK-DGCLKSJQSA-N 1 2 328.790 3.300 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2ccc3c(c2)CCC3)CC[C@@H]1C ZINC001072070821 1355112007 /nfs/dbraw/zinc/11/20/07/1355112007.db2.gz SQPJKJDJCCMVOC-HNAYVOBHSA-N 1 2 346.902 3.439 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2ccc3c(c2)CCC3)CC[C@@H]1C ZINC001072070821 1355112009 /nfs/dbraw/zinc/11/20/09/1355112009.db2.gz SQPJKJDJCCMVOC-HNAYVOBHSA-N 1 2 346.902 3.439 20 30 EGEDLO C/C=C(\C)C(=O)N1CC2(C1)CC[N@H+](CC#Cc1ccccc1Cl)C2 ZINC001072601395 1355353140 /nfs/dbraw/zinc/35/31/40/1355353140.db2.gz PLCSANAUQHTURD-HQYXKAPLSA-N 1 2 342.870 3.192 20 30 EGEDLO C/C=C(\C)C(=O)N1CC2(C1)CC[N@@H+](CC#Cc1ccccc1Cl)C2 ZINC001072601395 1355353143 /nfs/dbraw/zinc/35/31/43/1355353143.db2.gz PLCSANAUQHTURD-HQYXKAPLSA-N 1 2 342.870 3.192 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@H+](Cc1csc(C)n1)C2 ZINC001072951669 1355518276 /nfs/dbraw/zinc/51/82/76/1355518276.db2.gz PKWMNKKBRCCKQO-QGZVFWFLSA-N 1 2 333.501 3.088 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+](Cc1csc(C)n1)C2 ZINC001072951669 1355518279 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RIVARELMSUOOGZ-OAGGEKHMSA-N 1 2 339.266 3.357 20 30 EGEDLO C=CC[C@@H](Cc1ccccc1)C(=O)NC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001097881548 1363148465 /nfs/dbraw/zinc/14/84/65/1363148465.db2.gz KMJVGSRKLIZPOW-QAPCUYQASA-N 1 2 338.455 3.137 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)c1cc(C)oc1C)C2 ZINC001098045907 1363206751 /nfs/dbraw/zinc/20/67/51/1363206751.db2.gz YPYOQPJGPQKFHS-WNOSKKOXSA-N 1 2 336.863 3.474 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)c1cc(C)oc1C)C2 ZINC001098045907 1363206756 /nfs/dbraw/zinc/20/67/56/1363206756.db2.gz YPYOQPJGPQKFHS-WNOSKKOXSA-N 1 2 336.863 3.474 20 30 EGEDLO C#CC[N@@H+](Cc1cc2c(cc1Br)OCCO2)CC1CC1 ZINC001324383027 1387615203 /nfs/dbraw/zinc/61/52/03/1387615203.db2.gz SHFCPRAIDAXVHS-UHFFFAOYSA-N 1 2 336.229 3.066 20 30 EGEDLO C#CC[N@H+](Cc1cc2c(cc1Br)OCCO2)CC1CC1 ZINC001324383027 1387615208 /nfs/dbraw/zinc/61/52/08/1387615208.db2.gz SHFCPRAIDAXVHS-UHFFFAOYSA-N 1 2 336.229 3.066 20 30 EGEDLO C#CCCCCCC(=O)NC[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001098188631 1363248665 /nfs/dbraw/zinc/24/86/65/1363248665.db2.gz SURFANLXTLNURD-INIZCTEOSA-N 1 2 330.476 3.409 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)Nc2nc(C)[nH+]c3c2CCCC3)CCC1 ZINC001098246059 1363268556 /nfs/dbraw/zinc/26/85/56/1363268556.db2.gz NWVFDDJSEWHJJD-CQSZACIVSA-N 1 2 342.487 3.327 20 30 EGEDLO CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001098259999 1363275692 /nfs/dbraw/zinc/27/56/92/1363275692.db2.gz KECATRHOLPOFJW-KURKYZTESA-N 1 2 344.886 3.459 20 30 EGEDLO CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001098259999 1363275694 /nfs/dbraw/zinc/27/56/94/1363275694.db2.gz KECATRHOLPOFJW-KURKYZTESA-N 1 2 344.886 3.459 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CCC[C@@H](Nc3cc[nH+]c(C)n3)C2)CC1 ZINC001098651902 1363418460 /nfs/dbraw/zinc/41/84/60/1363418460.db2.gz OJIMZNOEWCTSDA-HZPDHXFCSA-N 1 2 328.460 3.371 20 30 EGEDLO Cc1nc(C[N@H+]2CC(C)(C)CC[C@H]2CNC(=O)[C@@H](C)C#N)c(C)s1 ZINC001098981881 1363554469 /nfs/dbraw/zinc/55/44/69/1363554469.db2.gz GNMUHPMOZIMIGL-WFASDCNBSA-N 1 2 348.516 3.026 20 30 EGEDLO Cc1nc(C[N@@H+]2CC(C)(C)CC[C@H]2CNC(=O)[C@@H](C)C#N)c(C)s1 ZINC001098981881 1363554473 /nfs/dbraw/zinc/55/44/73/1363554473.db2.gz GNMUHPMOZIMIGL-WFASDCNBSA-N 1 2 348.516 3.026 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1cscn1 ZINC001099029130 1363584219 /nfs/dbraw/zinc/58/42/19/1363584219.db2.gz TULFUZRPIVPJQB-KRWDZBQOSA-N 1 2 347.528 3.444 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1cscn1 ZINC001099029130 1363584221 /nfs/dbraw/zinc/58/42/21/1363584221.db2.gz TULFUZRPIVPJQB-KRWDZBQOSA-N 1 2 347.528 3.444 20 30 EGEDLO C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC001099084904 1363614010 /nfs/dbraw/zinc/61/40/10/1363614010.db2.gz HKYRSKMZTIOMKE-OLZOCXBDSA-N 1 2 338.389 3.460 20 30 EGEDLO C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC001099084904 1363614002 /nfs/dbraw/zinc/61/40/02/1363614002.db2.gz HKYRSKMZTIOMKE-OLZOCXBDSA-N 1 2 338.389 3.460 20 30 EGEDLO C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC001099084904 1363614005 /nfs/dbraw/zinc/61/40/05/1363614005.db2.gz HKYRSKMZTIOMKE-OLZOCXBDSA-N 1 2 338.389 3.460 20 30 EGEDLO C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC001099084904 1363614007 /nfs/dbraw/zinc/61/40/07/1363614007.db2.gz HKYRSKMZTIOMKE-OLZOCXBDSA-N 1 2 338.389 3.460 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nccn1C ZINC001099093354 1363618219 /nfs/dbraw/zinc/61/82/19/1363618219.db2.gz OYMWAVJQQIOMQX-MRXNPFEDSA-N 1 2 346.519 3.129 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nccn1C ZINC001099093354 1363618225 /nfs/dbraw/zinc/61/82/25/1363618225.db2.gz OYMWAVJQQIOMQX-MRXNPFEDSA-N 1 2 346.519 3.129 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nonc1C ZINC001099194828 1363686141 /nfs/dbraw/zinc/68/61/41/1363686141.db2.gz STCUBNMYGBMIJK-JKSUJKDBSA-N 1 2 348.491 3.087 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nonc1C ZINC001099194828 1363686144 /nfs/dbraw/zinc/68/61/44/1363686144.db2.gz STCUBNMYGBMIJK-JKSUJKDBSA-N 1 2 348.491 3.087 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCc2cc(C(C)(C)C)ccc2C1 ZINC001324480882 1387638287 /nfs/dbraw/zinc/63/82/87/1387638287.db2.gz XSUCIBOCAUPACE-NRFANRHFSA-N 1 2 341.499 3.397 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCc2cc(C(C)(C)C)ccc2C1 ZINC001324480882 1387638291 /nfs/dbraw/zinc/63/82/91/1387638291.db2.gz XSUCIBOCAUPACE-NRFANRHFSA-N 1 2 341.499 3.397 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](OC)C(C)C ZINC001099209071 1363693064 /nfs/dbraw/zinc/69/30/64/1363693064.db2.gz VWFLORPLRGNFSS-HUUCEWRRSA-N 1 2 330.900 3.017 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](OC)C(C)C ZINC001099209071 1363693068 /nfs/dbraw/zinc/69/30/68/1363693068.db2.gz VWFLORPLRGNFSS-HUUCEWRRSA-N 1 2 330.900 3.017 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccn(C)n1 ZINC001099251700 1363713520 /nfs/dbraw/zinc/71/35/20/1363713520.db2.gz NUGFGYCSLPVKKV-QGZVFWFLSA-N 1 2 346.519 3.129 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccn(C)n1 ZINC001099251700 1363713523 /nfs/dbraw/zinc/71/35/23/1363713523.db2.gz NUGFGYCSLPVKKV-QGZVFWFLSA-N 1 2 346.519 3.129 20 30 EGEDLO CCCCCCC[NH2+]C1CC(CNC(=O)C(F)C(F)(F)F)C1 ZINC001100347774 1364086622 /nfs/dbraw/zinc/08/66/22/1364086622.db2.gz NZZXZRCQPNLRSZ-BPCQOVAHSA-N 1 2 326.378 3.342 20 30 EGEDLO CCCCCCC[NH2+]C1CC(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001100347774 1364086626 /nfs/dbraw/zinc/08/66/26/1364086626.db2.gz NZZXZRCQPNLRSZ-BPCQOVAHSA-N 1 2 326.378 3.342 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001100895298 1364318142 /nfs/dbraw/zinc/31/81/42/1364318142.db2.gz HGSHOLFSZXXHGR-WMLDXEAASA-N 1 2 342.487 3.350 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001100897324 1364320093 /nfs/dbraw/zinc/32/00/93/1364320093.db2.gz FMVDJJNPKGCAHP-MRXNPFEDSA-N 1 2 330.476 3.089 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1CCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001100899707 1364321099 /nfs/dbraw/zinc/32/10/99/1364321099.db2.gz YDVFFYCDSMSNFJ-MRXNPFEDSA-N 1 2 328.460 3.104 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001100901194 1364322880 /nfs/dbraw/zinc/32/28/80/1364322880.db2.gz UBXUSDJEMBRPSU-UZLBHIALSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001101017882 1364375813 /nfs/dbraw/zinc/37/58/13/1364375813.db2.gz QYALIXMWXASDTE-OAHLLOKOSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001101056584 1364395081 /nfs/dbraw/zinc/39/50/81/1364395081.db2.gz UHSJFIPRNROWTF-OXQOHEQNSA-N 1 2 344.503 3.453 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCN(c1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001101421026 1364555323 /nfs/dbraw/zinc/55/53/23/1364555323.db2.gz OGBGVLIZDLHQGL-UHFFFAOYSA-N 1 2 342.487 3.350 20 30 EGEDLO CC(C)c1cc(NCCN(C)C(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001101595504 1364646256 /nfs/dbraw/zinc/64/62/56/1364646256.db2.gz YNWJKRGBPJQYQP-UHFFFAOYSA-N 1 2 328.460 3.007 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)CCC[C@@H](C)CCC)c1nccn12 ZINC001101630334 1364662601 /nfs/dbraw/zinc/66/26/01/1364662601.db2.gz DYGGTHANLSQQHS-DLBZAZTESA-N 1 2 344.503 3.248 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N(C)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001101789371 1364728016 /nfs/dbraw/zinc/72/80/16/1364728016.db2.gz BNNBSLADOLUNOX-UHFFFAOYSA-N 1 2 336.867 3.311 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC([C@@H](C)Nc2cc[nH+]c(C)n2)CC1 ZINC001102067652 1364833469 /nfs/dbraw/zinc/83/34/69/1364833469.db2.gz BAEWCEVIKHLOKL-CQSZACIVSA-N 1 2 330.476 3.426 20 30 EGEDLO CC#CCCCC(=O)N1CCC([C@@H](C)Nc2cc[nH+]c(C)n2)CC1 ZINC001102068982 1364835129 /nfs/dbraw/zinc/83/51/29/1364835129.db2.gz VNMLGOWLURUIIG-OAHLLOKOSA-N 1 2 328.460 3.018 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1nc(C)[nH+]c(C)c1C ZINC001102204702 1364932346 /nfs/dbraw/zinc/93/23/46/1364932346.db2.gz SJWSTXPDPORYHS-KURKYZTESA-N 1 2 342.487 3.184 20 30 EGEDLO C=C1CCC(C(=O)N(CCC)[C@@H]2CCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001102260343 1364972944 /nfs/dbraw/zinc/97/29/44/1364972944.db2.gz OTLRBAKHEUMLPX-GOSISDBHSA-N 1 2 342.487 3.349 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]c(C2CC2)n1 ZINC001102563979 1365116784 /nfs/dbraw/zinc/11/67/84/1365116784.db2.gz UXRPBBPVZYWPQP-HOTGVXAUSA-N 1 2 340.471 3.054 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102750271 1365201325 /nfs/dbraw/zinc/20/13/25/1365201325.db2.gz IUBWFVQEUGJWIO-MRXNPFEDSA-N 1 2 342.487 3.302 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N(C)[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102752288 1365201865 /nfs/dbraw/zinc/20/18/65/1365201865.db2.gz DRIWJABQZSEUAH-DOTOQJQBSA-N 1 2 342.487 3.302 20 30 EGEDLO C#CCCCCC(=O)N(CC)[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102795950 1365223761 /nfs/dbraw/zinc/22/37/61/1365223761.db2.gz MUARZDLFMQNFCA-GOSISDBHSA-N 1 2 342.487 3.023 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CCCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102885883 1365274937 /nfs/dbraw/zinc/27/49/37/1365274937.db2.gz ZLIVWWHRCJBIGZ-KRWDZBQOSA-N 1 2 342.487 3.494 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001103616238 1365679772 /nfs/dbraw/zinc/67/97/72/1365679772.db2.gz MUMQDTQUIDPBPA-GOSISDBHSA-N 1 2 342.487 3.409 20 30 EGEDLO CC#CCCCC(=O)N1CCC(CCNc2cc[nH+]c(C)n2)CC1 ZINC001103624514 1365685648 /nfs/dbraw/zinc/68/56/48/1365685648.db2.gz AEIDMWFOOGIGDS-UHFFFAOYSA-N 1 2 328.460 3.019 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](Nc2cc[nH+]c(C)n2)CC1 ZINC001103647288 1365699921 /nfs/dbraw/zinc/69/99/21/1365699921.db2.gz FKSZOPGHTLHPHF-QAQDUYKDSA-N 1 2 328.460 3.393 20 30 EGEDLO C=CCCC(=O)NCCC1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001103676898 1365723122 /nfs/dbraw/zinc/72/31/22/1365723122.db2.gz ZRHMBTUZZPWOCQ-UHFFFAOYSA-N 1 2 342.487 3.351 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCC[C@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001103777129 1365780149 /nfs/dbraw/zinc/78/01/49/1365780149.db2.gz KRCNDIVYSCSDJY-XLIONFOSSA-N 1 2 344.503 3.479 20 30 EGEDLO C#CCCCCC(=O)NC[C@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001103924499 1365835873 /nfs/dbraw/zinc/83/58/73/1365835873.db2.gz MLBLOLFYDSRSRT-CQSZACIVSA-N 1 2 328.460 3.020 20 30 EGEDLO C=CCC1(C(=O)NC[C@H](C)CNc2cc[nH+]c(C)n2)CCCCC1 ZINC001103992681 1365863457 /nfs/dbraw/zinc/86/34/57/1365863457.db2.gz WMSJZHARADKHPZ-OAHLLOKOSA-N 1 2 330.476 3.476 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001104163263 1365932677 /nfs/dbraw/zinc/93/26/77/1365932677.db2.gz HYBOYTBALTYIDM-DZGCQCFKSA-N 1 2 330.476 3.429 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N(C)[C@@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001104507000 1366053591 /nfs/dbraw/zinc/05/35/91/1366053591.db2.gz DRKVWQURKBYETA-JKSUJKDBSA-N 1 2 348.491 3.148 20 30 EGEDLO CC(C)c1cc(N[C@H](CNC(=O)[C@@H](C)C#N)C(C)C)nc(C(C)C)[nH+]1 ZINC001105140382 1366343687 /nfs/dbraw/zinc/34/36/87/1366343687.db2.gz YDNZKMPURYNDOG-GOEBONIOSA-N 1 2 345.491 3.436 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N(C)CCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001105536861 1366516910 /nfs/dbraw/zinc/51/69/10/1366516910.db2.gz CYDIVFBTGLSIFY-HNNXBMFYSA-N 1 2 330.476 3.159 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@H](CC)CCCC)CC2)C1 ZINC001105717037 1366582859 /nfs/dbraw/zinc/58/28/59/1366582859.db2.gz DTHWIXLVKXCRBN-QGZVFWFLSA-N 1 2 336.520 3.471 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](F)CCCCCC)CC2)C1 ZINC001105731906 1366588999 /nfs/dbraw/zinc/58/89/99/1366588999.db2.gz VXMREMBBBSSUEL-GOSISDBHSA-N 1 2 340.483 3.173 20 30 EGEDLO CC#CCCCC(=O)N[C@H](C)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001106528456 1366723455 /nfs/dbraw/zinc/72/34/55/1366723455.db2.gz DXAKBEBIGPTFQR-OAHLLOKOSA-N 1 2 342.487 3.164 20 30 EGEDLO C=CCOCC(=O)N(CC)CCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001106717295 1366779554 /nfs/dbraw/zinc/77/95/54/1366779554.db2.gz RIDFCQOCXCXTMM-UHFFFAOYSA-N 1 2 348.491 3.186 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109153280 1366979119 /nfs/dbraw/zinc/97/91/19/1366979119.db2.gz NLHSFZSLYMDXCQ-PVAVHDDUSA-N 1 2 345.393 3.182 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109153280 1366979127 /nfs/dbraw/zinc/97/91/27/1366979127.db2.gz NLHSFZSLYMDXCQ-PVAVHDDUSA-N 1 2 345.393 3.182 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H](C)CN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001109203777 1366999798 /nfs/dbraw/zinc/99/97/98/1366999798.db2.gz VUDXTLUCNGJCKB-HOCLYGCPSA-N 1 2 344.503 3.207 20 30 EGEDLO C=C1CC(C)(C(=O)NC/C=C/CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001107507132 1367007074 /nfs/dbraw/zinc/00/70/74/1367007074.db2.gz UNEKRMMWTVFJJG-SNAWJCMRSA-N 1 2 326.444 3.103 20 30 EGEDLO C=C1CC(C)(C(=O)NC/C=C\CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001107507297 1367007258 /nfs/dbraw/zinc/00/72/58/1367007258.db2.gz VNUVLXLIZMKEMQ-SREVYHEPSA-N 1 2 328.460 3.349 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)/C=C/C(C)(C)C)C1 ZINC001189427372 1367020718 /nfs/dbraw/zinc/02/07/18/1367020718.db2.gz IVHKBTTXSRHMFO-STMXVASLSA-N 1 2 329.282 3.030 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)/C=C/C(C)(C)C)C1 ZINC001189427372 1367020723 /nfs/dbraw/zinc/02/07/23/1367020723.db2.gz IVHKBTTXSRHMFO-STMXVASLSA-N 1 2 329.282 3.030 20 30 EGEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1sccc1Cl ZINC001109251953 1367027083 /nfs/dbraw/zinc/02/70/83/1367027083.db2.gz RZEVOKUTNRNUHK-SNPRPXQTSA-N 1 2 334.872 3.036 20 30 EGEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1sccc1Cl ZINC001109251953 1367027093 /nfs/dbraw/zinc/02/70/93/1367027093.db2.gz RZEVOKUTNRNUHK-SNPRPXQTSA-N 1 2 334.872 3.036 20 30 EGEDLO C#CCC1(C(=O)N[C@@H]2CCCC[C@@H]2CNc2cc[nH+]c(C)n2)CCC1 ZINC001109346640 1367073975 /nfs/dbraw/zinc/07/39/75/1367073975.db2.gz KXBQOFUUNMOWLY-IAGOWNOFSA-N 1 2 340.471 3.066 20 30 EGEDLO C=CCCC(=O)NC[C@]1(C)C[N@H+]([C@H](C)c2ccccc2F)CCO1 ZINC001107803498 1367154333 /nfs/dbraw/zinc/15/43/33/1367154333.db2.gz AQTYYPHKBIZHBZ-DNVCBOLYSA-N 1 2 334.435 3.060 20 30 EGEDLO C=CCCC(=O)NC[C@]1(C)C[N@@H+]([C@H](C)c2ccccc2F)CCO1 ZINC001107803498 1367154337 /nfs/dbraw/zinc/15/43/37/1367154337.db2.gz AQTYYPHKBIZHBZ-DNVCBOLYSA-N 1 2 334.435 3.060 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001109597373 1367221199 /nfs/dbraw/zinc/22/11/99/1367221199.db2.gz JTJDDJGAOJHJAG-VYDXJSESSA-N 1 2 331.460 3.115 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001109597373 1367221203 /nfs/dbraw/zinc/22/12/03/1367221203.db2.gz JTJDDJGAOJHJAG-VYDXJSESSA-N 1 2 331.460 3.115 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@]1(C)C[N@H+](C/C=C/c2ccccc2)CCO1 ZINC001107974391 1367225529 /nfs/dbraw/zinc/22/55/29/1367225529.db2.gz RNKQWVAPXZRHOU-CLNPQZTCSA-N 1 2 342.483 3.263 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@]1(C)C[N@@H+](C/C=C/c2ccccc2)CCO1 ZINC001107974391 1367225532 /nfs/dbraw/zinc/22/55/32/1367225532.db2.gz RNKQWVAPXZRHOU-CLNPQZTCSA-N 1 2 342.483 3.263 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)nc1 ZINC001109627212 1367245103 /nfs/dbraw/zinc/24/51/03/1367245103.db2.gz FTNSXJGNSWVJKK-IKGGRYGDSA-N 1 2 345.874 3.150 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)nc1 ZINC001109627212 1367245109 /nfs/dbraw/zinc/24/51/09/1367245109.db2.gz FTNSXJGNSWVJKK-IKGGRYGDSA-N 1 2 345.874 3.150 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001109632087 1367250570 /nfs/dbraw/zinc/25/05/70/1367250570.db2.gz ZIPZNIXAWWIQIT-NBMRYCAZSA-N 1 2 331.435 3.045 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001109632087 1367250576 /nfs/dbraw/zinc/25/05/76/1367250576.db2.gz ZIPZNIXAWWIQIT-NBMRYCAZSA-N 1 2 331.435 3.045 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)cn2)CC1 ZINC001109675654 1367275786 /nfs/dbraw/zinc/27/57/86/1367275786.db2.gz CBKQNFJWLPHZCS-SQNIBIBYSA-N 1 2 343.446 3.189 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)cn2)CC1 ZINC001109675654 1367275792 /nfs/dbraw/zinc/27/57/92/1367275792.db2.gz CBKQNFJWLPHZCS-SQNIBIBYSA-N 1 2 343.446 3.189 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC001108114255 1367288408 /nfs/dbraw/zinc/28/84/08/1367288408.db2.gz CMORIPKRDMCDKK-FQEVSTJZSA-N 1 2 348.462 3.135 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC001108114255 1367288409 /nfs/dbraw/zinc/28/84/09/1367288409.db2.gz CMORIPKRDMCDKK-FQEVSTJZSA-N 1 2 348.462 3.135 20 30 EGEDLO C=CCCCC(=O)NC[C@@]1(C)C[N@H+]([C@H](C)c2ccccc2F)CCO1 ZINC001108173745 1367323484 /nfs/dbraw/zinc/32/34/84/1367323484.db2.gz WXHGFJBLEYJTKK-UZLBHIALSA-N 1 2 348.462 3.450 20 30 EGEDLO C=CCCCC(=O)NC[C@@]1(C)C[N@@H+]([C@H](C)c2ccccc2F)CCO1 ZINC001108173745 1367323492 /nfs/dbraw/zinc/32/34/92/1367323492.db2.gz WXHGFJBLEYJTKK-UZLBHIALSA-N 1 2 348.462 3.450 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](CCC)CC2CCCC2)C1 ZINC001108256046 1367367236 /nfs/dbraw/zinc/36/72/36/1367367236.db2.gz AWYCTMYZKUXYHE-TZIWHRDSSA-N 1 2 348.531 3.213 20 30 EGEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](CCC)CC2CCCC2)C1 ZINC001108256046 1367367243 /nfs/dbraw/zinc/36/72/43/1367367243.db2.gz AWYCTMYZKUXYHE-TZIWHRDSSA-N 1 2 348.531 3.213 20 30 EGEDLO C=C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl)c1ccccc1 ZINC001110136511 1367518750 /nfs/dbraw/zinc/51/87/50/1367518750.db2.gz FTYFHTHQYLYKMN-OWSLCNJRSA-N 1 2 330.859 3.430 20 30 EGEDLO C=C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl)c1ccccc1 ZINC001110136511 1367518761 /nfs/dbraw/zinc/51/87/61/1367518761.db2.gz FTYFHTHQYLYKMN-OWSLCNJRSA-N 1 2 330.859 3.430 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](OC)C1CCCCC1)C2 ZINC001110224337 1367575559 /nfs/dbraw/zinc/57/55/59/1367575559.db2.gz LXODZCBSKJIGOI-LTIDMASMSA-N 1 2 340.895 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](OC)C1CCCCC1)C2 ZINC001110224337 1367575563 /nfs/dbraw/zinc/57/55/63/1367575563.db2.gz LXODZCBSKJIGOI-LTIDMASMSA-N 1 2 340.895 3.056 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncoc2C(C)C)C1 ZINC001191753479 1367577489 /nfs/dbraw/zinc/57/74/89/1367577489.db2.gz FFOIBKBKKWMENU-QGZVFWFLSA-N 1 2 345.487 3.414 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ncoc2C(C)C)C1 ZINC001191753479 1367577493 /nfs/dbraw/zinc/57/74/93/1367577493.db2.gz FFOIBKBKKWMENU-QGZVFWFLSA-N 1 2 345.487 3.414 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)C2(CCC)CCC2)C1 ZINC001191820502 1367600812 /nfs/dbraw/zinc/60/08/12/1367600812.db2.gz ZYHJOQDCUHHZBX-CQSZACIVSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)C2(CCC)CCC2)C1 ZINC001191820502 1367600815 /nfs/dbraw/zinc/60/08/15/1367600815.db2.gz ZYHJOQDCUHHZBX-CQSZACIVSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC001191889070 1367626119 /nfs/dbraw/zinc/62/61/19/1367626119.db2.gz AJGDIWQBNBYDBA-CVEARBPZSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC001191889070 1367626130 /nfs/dbraw/zinc/62/61/30/1367626130.db2.gz AJGDIWQBNBYDBA-CVEARBPZSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2cnc(Cl)s2)C1 ZINC001191911768 1367635184 /nfs/dbraw/zinc/63/51/84/1367635184.db2.gz JLIBWOZZDYOPBH-QWHCGFSZSA-N 1 2 341.908 3.432 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cnc(Cl)s2)C1 ZINC001191911768 1367635193 /nfs/dbraw/zinc/63/51/93/1367635193.db2.gz JLIBWOZZDYOPBH-QWHCGFSZSA-N 1 2 341.908 3.432 20 30 EGEDLO C=CCCCC(=O)NCC1(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001110321287 1367639616 /nfs/dbraw/zinc/63/96/16/1367639616.db2.gz JWNORTLYUUEPEW-UHFFFAOYSA-N 1 2 328.460 3.081 20 30 EGEDLO CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001108936841 1367671488 /nfs/dbraw/zinc/67/14/88/1367671488.db2.gz SIADEXBECMCIOW-NJAFHUGGSA-N 1 2 343.446 3.355 20 30 EGEDLO CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001108936841 1367671490 /nfs/dbraw/zinc/67/14/90/1367671490.db2.gz SIADEXBECMCIOW-NJAFHUGGSA-N 1 2 343.446 3.355 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001110415606 1367705528 /nfs/dbraw/zinc/70/55/28/1367705528.db2.gz RHUKFPSQSMVTGL-QZTJIDSGSA-N 1 2 342.487 3.349 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1F ZINC001110459699 1367748550 /nfs/dbraw/zinc/74/85/50/1367748550.db2.gz XYWRKKACGGNLMU-NXHRZFHOSA-N 1 2 346.421 3.380 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1F ZINC001110459699 1367748554 /nfs/dbraw/zinc/74/85/54/1367748554.db2.gz XYWRKKACGGNLMU-NXHRZFHOSA-N 1 2 346.421 3.380 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC2(C1)CCN(c1cc[nH+]c(C)n1)CC2 ZINC001110463360 1367753139 /nfs/dbraw/zinc/75/31/39/1367753139.db2.gz DJUVWINTWGNSRG-UHFFFAOYSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CCCCC(=O)N1CC[C@]2(CCN(c3nc(C)[nH+]c(C)c3C)C2)C1 ZINC001110479726 1367769697 /nfs/dbraw/zinc/76/96/97/1367769697.db2.gz OVRNDXITQDSCRY-FQEVSTJZSA-N 1 2 342.487 3.187 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)c2ccc(Oc3ccc(O)cc3)cc2)CC1 ZINC001192445892 1367784225 /nfs/dbraw/zinc/78/42/25/1367784225.db2.gz CKXPZGGRIFXBEG-UHFFFAOYSA-N 1 2 338.407 3.128 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1ccc(F)cc1F ZINC001110539111 1367818384 /nfs/dbraw/zinc/81/83/84/1367818384.db2.gz FJEOEIDHVHXDRW-LZBRWLDZSA-N 1 2 346.421 3.407 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1ccc(F)cc1F ZINC001110539111 1367818388 /nfs/dbraw/zinc/81/83/88/1367818388.db2.gz FJEOEIDHVHXDRW-LZBRWLDZSA-N 1 2 346.421 3.407 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001192577150 1367822556 /nfs/dbraw/zinc/82/25/56/1367822556.db2.gz CPJCZZGZHOWXPY-MRXNPFEDSA-N 1 2 331.460 3.187 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001192577150 1367822561 /nfs/dbraw/zinc/82/25/61/1367822561.db2.gz CPJCZZGZHOWXPY-MRXNPFEDSA-N 1 2 331.460 3.187 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]c(CC)n1 ZINC001110695187 1367933600 /nfs/dbraw/zinc/93/36/00/1367933600.db2.gz GUPDKSLTPNOTBE-SJORKVTESA-N 1 2 342.487 3.273 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C2CC2)no1 ZINC001110933625 1368103266 /nfs/dbraw/zinc/10/32/66/1368103266.db2.gz PDQVNFDCXYOXMX-LRHNDGHRSA-N 1 2 343.471 3.376 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C2CC2)no1 ZINC001110933625 1368103268 /nfs/dbraw/zinc/10/32/68/1368103268.db2.gz PDQVNFDCXYOXMX-LRHNDGHRSA-N 1 2 343.471 3.376 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)cs1 ZINC001110932897 1368103294 /nfs/dbraw/zinc/10/32/94/1368103294.db2.gz BWQHFHNCUTYNDW-XZDPQHSOSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001110932897 1368103297 /nfs/dbraw/zinc/10/32/97/1368103297.db2.gz BWQHFHNCUTYNDW-XZDPQHSOSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC001110954524 1368121267 /nfs/dbraw/zinc/12/12/67/1368121267.db2.gz WHILJYJPOPQSEG-APWZRJJASA-N 1 2 330.476 3.110 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC001110964063 1368127547 /nfs/dbraw/zinc/12/75/47/1368127547.db2.gz VKJVMWMVNSEBCY-IBGZPJMESA-N 1 2 330.476 3.110 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001110989736 1368136982 /nfs/dbraw/zinc/13/69/82/1368136982.db2.gz UMUDZYDPZPISBQ-VXNCWWDNSA-N 1 2 331.435 3.045 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001110989736 1368136988 /nfs/dbraw/zinc/13/69/88/1368136988.db2.gz UMUDZYDPZPISBQ-VXNCWWDNSA-N 1 2 331.435 3.045 20 30 EGEDLO C=C[C@H](CC(=O)N1CC[C@H]([N@H+](C)Cc2ccon2)C1)c1ccccc1 ZINC001194200833 1368207765 /nfs/dbraw/zinc/20/77/65/1368207765.db2.gz ONNLUCJTFBAULA-APWZRJJASA-N 1 2 339.439 3.067 20 30 EGEDLO C=C[C@H](CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccon2)C1)c1ccccc1 ZINC001194200833 1368207771 /nfs/dbraw/zinc/20/77/71/1368207771.db2.gz ONNLUCJTFBAULA-APWZRJJASA-N 1 2 339.439 3.067 20 30 EGEDLO C=CCCC(=O)N1C[C@H](C)[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001111237779 1368212117 /nfs/dbraw/zinc/21/21/17/1368212117.db2.gz XPIXQHPNRQPXDG-XJKSGUPXSA-N 1 2 328.460 3.135 20 30 EGEDLO C=CCC1(C(=O)N2C[C@H](C)[C@@H](CNc3cc[nH+]c(C)n3)C2)CCC1 ZINC001111256299 1368222934 /nfs/dbraw/zinc/22/29/34/1368222934.db2.gz BDDIAPHGPFRQMH-HOCLYGCPSA-N 1 2 328.460 3.038 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1cc(C)[nH+]c(C(C)C)n1 ZINC001111381167 1368277244 /nfs/dbraw/zinc/27/72/44/1368277244.db2.gz DFWAFGFSYGKLOA-IRXDYDNUSA-N 1 2 342.487 3.444 20 30 EGEDLO C=CCCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1cc(C)[nH+]c(C(C)C)n1 ZINC001111381165 1368277399 /nfs/dbraw/zinc/27/73/99/1368277399.db2.gz DFWAFGFSYGKLOA-IAGOWNOFSA-N 1 2 342.487 3.444 20 30 EGEDLO O=C(Nc1cccc2[nH+]ccn21)c1ccc(C#CBr)cc1 ZINC001194786603 1368323203 /nfs/dbraw/zinc/32/32/03/1368323203.db2.gz IFKPQONYOXVVRP-UHFFFAOYSA-N 1 2 340.180 3.291 20 30 EGEDLO COc1cccc(C[N@@H+]2CCCN(C(=O)C#CC(C)C)CC2)c1Cl ZINC001195781238 1368488643 /nfs/dbraw/zinc/48/86/43/1368488643.db2.gz RJDMSMGZNOUPBT-UHFFFAOYSA-N 1 2 348.874 3.042 20 30 EGEDLO COc1cccc(C[N@H+]2CCCN(C(=O)C#CC(C)C)CC2)c1Cl ZINC001195781238 1368488647 /nfs/dbraw/zinc/48/86/47/1368488647.db2.gz RJDMSMGZNOUPBT-UHFFFAOYSA-N 1 2 348.874 3.042 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@H](OCC)C2=CCCC2)CC1 ZINC001195853840 1368504566 /nfs/dbraw/zinc/50/45/66/1368504566.db2.gz OWWXFGNPIZXNMT-KRWDZBQOSA-N 1 2 340.895 3.179 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@H](OCC)C2=CCCC2)CC1 ZINC001195853840 1368504571 /nfs/dbraw/zinc/50/45/71/1368504571.db2.gz OWWXFGNPIZXNMT-KRWDZBQOSA-N 1 2 340.895 3.179 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[N@H+](Cc2nc3ccccc3o2)CC1 ZINC001196004432 1368533569 /nfs/dbraw/zinc/53/35/69/1368533569.db2.gz XVOWJTKKNOCSPH-UHFFFAOYSA-N 1 2 327.428 3.218 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[N@@H+](Cc2nc3ccccc3o2)CC1 ZINC001196004432 1368533574 /nfs/dbraw/zinc/53/35/74/1368533574.db2.gz XVOWJTKKNOCSPH-UHFFFAOYSA-N 1 2 327.428 3.218 20 30 EGEDLO C=CCCCC(=O)NCC1(Nc2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001111890667 1368535648 /nfs/dbraw/zinc/53/56/48/1368535648.db2.gz KDOGDLJVBFAOEU-UHFFFAOYSA-N 1 2 328.460 3.470 20 30 EGEDLO CC(C)CC1(C(=O)N2CCC[N@H+](CC#Cc3ccccc3)CC2)CC1 ZINC001196115870 1368551774 /nfs/dbraw/zinc/55/17/74/1368551774.db2.gz QWNHIBXXEMUGDZ-UHFFFAOYSA-N 1 2 338.495 3.399 20 30 EGEDLO CC(C)CC1(C(=O)N2CCC[N@@H+](CC#Cc3ccccc3)CC2)CC1 ZINC001196115870 1368551776 /nfs/dbraw/zinc/55/17/76/1368551776.db2.gz QWNHIBXXEMUGDZ-UHFFFAOYSA-N 1 2 338.495 3.399 20 30 EGEDLO N#Cc1ccccc1NC(=S)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001196319120 1368587859 /nfs/dbraw/zinc/58/78/59/1368587859.db2.gz WNYLGYVAUFGJLZ-MRXNPFEDSA-N 1 2 338.436 3.193 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001112013327 1368617651 /nfs/dbraw/zinc/61/76/51/1368617651.db2.gz DYWOLLKDKQIZHI-KRWDZBQOSA-N 1 2 330.476 3.233 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001196880994 1368705219 /nfs/dbraw/zinc/70/52/19/1368705219.db2.gz OQUCAXVLUXTABZ-MRXNPFEDSA-N 1 2 343.446 3.334 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001196880994 1368705224 /nfs/dbraw/zinc/70/52/24/1368705224.db2.gz OQUCAXVLUXTABZ-MRXNPFEDSA-N 1 2 343.446 3.334 20 30 EGEDLO C=CCCC(=O)N1CCC[C@@]2(CCN(c3nc(C)[nH+]c(C)c3C)C2)C1 ZINC001112215352 1368723599 /nfs/dbraw/zinc/72/35/99/1368723599.db2.gz CNHXXQDDLNPANR-HXUWFJFHSA-N 1 2 342.487 3.187 20 30 EGEDLO C=CCCCC(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001196984852 1368726383 /nfs/dbraw/zinc/72/63/83/1368726383.db2.gz SSPYITGNOKDTMM-UHFFFAOYSA-N 1 2 329.419 3.088 20 30 EGEDLO C=CCCCC(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001196984852 1368726384 /nfs/dbraw/zinc/72/63/84/1368726384.db2.gz SSPYITGNOKDTMM-UHFFFAOYSA-N 1 2 329.419 3.088 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)c2cc(SC)cc(C(F)(F)F)c2)CC1 ZINC001196987462 1368726502 /nfs/dbraw/zinc/72/65/02/1368726502.db2.gz JEJIPFGTIXQFBE-UHFFFAOYSA-N 1 2 344.402 3.371 20 30 EGEDLO C=CCCC1(C(=O)N2CCC[N@H+](Cc3cc(C4CC4)no3)CC2)CC1 ZINC001197062498 1368737651 /nfs/dbraw/zinc/73/76/51/1368737651.db2.gz RWLUUJYZXOQYJU-UHFFFAOYSA-N 1 2 343.471 3.333 20 30 EGEDLO C=CCCC1(C(=O)N2CCC[N@@H+](Cc3cc(C4CC4)no3)CC2)CC1 ZINC001197062498 1368737659 /nfs/dbraw/zinc/73/76/59/1368737659.db2.gz RWLUUJYZXOQYJU-UHFFFAOYSA-N 1 2 343.471 3.333 20 30 EGEDLO N#Cc1cccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001197724334 1368881804 /nfs/dbraw/zinc/88/18/04/1368881804.db2.gz RPCSWIGWAUHOBW-UHFFFAOYSA-N 1 2 333.420 3.231 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H](C)C1 ZINC001112486836 1368884265 /nfs/dbraw/zinc/88/42/65/1368884265.db2.gz DXVKGQSYRQVYDG-SUMWQHHRSA-N 1 2 330.476 3.232 20 30 EGEDLO CCCCCCCCC(=O)N1CCC[N@H+](Cc2ccnn2C)CC1 ZINC001197914578 1368923361 /nfs/dbraw/zinc/92/33/61/1368923361.db2.gz YMODOKVTAGAVEZ-UHFFFAOYSA-N 1 2 334.508 3.205 20 30 EGEDLO CCCCCCCCC(=O)N1CCC[N@@H+](Cc2ccnn2C)CC1 ZINC001197914578 1368923364 /nfs/dbraw/zinc/92/33/64/1368923364.db2.gz YMODOKVTAGAVEZ-UHFFFAOYSA-N 1 2 334.508 3.205 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001112630812 1368960470 /nfs/dbraw/zinc/96/04/70/1368960470.db2.gz YBMKYPNDBOFDFB-INIZCTEOSA-N 1 2 330.476 3.205 20 30 EGEDLO C=CCCCC(=O)N1CCC2(CC1)CCN(c1cc[nH+]c(C)n1)CC2 ZINC001112642432 1368970060 /nfs/dbraw/zinc/97/00/60/1368970060.db2.gz OPZBSUYWLDABNW-UHFFFAOYSA-N 1 2 342.487 3.350 20 30 EGEDLO C#CCCCCC(=O)N1CC[NH+](CCOc2cc(C)ccc2C)CC1 ZINC001112775917 1368996489 /nfs/dbraw/zinc/99/64/89/1368996489.db2.gz GKQPNWZPFDGPLD-UHFFFAOYSA-N 1 2 342.483 3.020 20 30 EGEDLO C=CCCCCC[NH+]1CCN(C(=O)c2cnc(CC(C)C)[nH]2)CC1 ZINC001112852203 1369047320 /nfs/dbraw/zinc/04/73/20/1369047320.db2.gz UZIIPKLRXVXJTB-UHFFFAOYSA-N 1 2 332.492 3.112 20 30 EGEDLO C=C(C)[C@H](CC(=O)N1CC[NH+](Cc2cc(F)ccc2C)CC1)OCC ZINC001112907090 1369084566 /nfs/dbraw/zinc/08/45/66/1369084566.db2.gz YMLBLLLJQLKHJP-IBGZPJMESA-N 1 2 348.462 3.150 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)c1cocc1C)c1ccccc1OC ZINC001198836148 1369126186 /nfs/dbraw/zinc/12/61/86/1369126186.db2.gz ZLXMQLPNSQYRFM-MRXNPFEDSA-N 1 2 348.830 3.410 20 30 EGEDLO C=CCOCC[NH+]1CCN(C(=O)c2coc3cc(C)c(C)cc23)CC1 ZINC001113155476 1369232812 /nfs/dbraw/zinc/23/28/12/1369232812.db2.gz RAGQPMOECDPDEL-UHFFFAOYSA-N 1 2 342.439 3.010 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC[NH+](CCc2ccccc2Cl)CC1 ZINC001113229797 1369277718 /nfs/dbraw/zinc/27/77/18/1369277718.db2.gz RHCAMHFRCJGPBP-JKSUJKDBSA-N 1 2 334.891 3.485 20 30 EGEDLO CC#CCCCC(=O)N1CC[NH+](Cc2cccc(OCCC)c2)CC1 ZINC001113232520 1369280646 /nfs/dbraw/zinc/28/06/46/1369280646.db2.gz SPOOUVRZRTUTHZ-UHFFFAOYSA-N 1 2 342.483 3.313 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[NH+](CCOc2c(C)cccc2C)CC1 ZINC001113247712 1369290226 /nfs/dbraw/zinc/29/02/26/1369290226.db2.gz CSIKIYLCQGUOOK-IBGZPJMESA-N 1 2 344.499 3.429 20 30 EGEDLO C=CCCCC(=O)N[C@@H](C)[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001113296359 1369328657 /nfs/dbraw/zinc/32/86/57/1369328657.db2.gz KWEUOEXWBDSYRG-UONOGXRCSA-N 1 2 330.476 3.325 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](CCOc3ccc(C)cc3)CC2)CCC1 ZINC001113310974 1369337557 /nfs/dbraw/zinc/33/75/57/1369337557.db2.gz WGMVFJYHYMRVPG-UHFFFAOYSA-N 1 2 342.483 3.264 20 30 EGEDLO C=C[C@H](CC(=O)N1CC[NH+](Cc2cnccc2C)CC1)c1ccccc1 ZINC001113666815 1369553746 /nfs/dbraw/zinc/55/37/46/1369553746.db2.gz CDFLKZFNACOCKS-LJQANCHMSA-N 1 2 349.478 3.394 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](CCOCC3CCC3)CC2)CCCC1 ZINC001113744617 1369598775 /nfs/dbraw/zinc/59/87/75/1369598775.db2.gz KHHOOECGOCQFOR-UHFFFAOYSA-N 1 2 334.504 3.084 20 30 EGEDLO CCCCCCC[N@@H+]1CCc2c(ncn2C(C)C)[C@H]1CNC(C)=O ZINC001201762734 1369619052 /nfs/dbraw/zinc/61/90/52/1369619052.db2.gz SCAMYNGZCRZADA-GOSISDBHSA-N 1 2 334.508 3.470 20 30 EGEDLO CCCCCCC[N@H+]1CCc2c(ncn2C(C)C)[C@H]1CNC(C)=O ZINC001201762734 1369619057 /nfs/dbraw/zinc/61/90/57/1369619057.db2.gz SCAMYNGZCRZADA-GOSISDBHSA-N 1 2 334.508 3.470 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001113822363 1369623593 /nfs/dbraw/zinc/62/35/93/1369623593.db2.gz OWQWDDWGAFVPDQ-CVEARBPZSA-N 1 2 332.492 3.452 20 30 EGEDLO C=CCC1(C(=O)NC[C@H](C)N(C)c2nc(C)[nH+]c(C)c2C)CCC1 ZINC001113853567 1369634947 /nfs/dbraw/zinc/63/49/47/1369634947.db2.gz IIHSBBFPPDWRRI-ZDUSSCGKSA-N 1 2 330.476 3.089 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(CC)n3)C[C@H]21 ZINC001114325847 1369886071 /nfs/dbraw/zinc/88/60/71/1369886071.db2.gz HIELCQGUQYBMHR-VQFNDLOPSA-N 1 2 345.512 3.020 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(CC)n3)C[C@H]21 ZINC001114325847 1369886081 /nfs/dbraw/zinc/88/60/81/1369886081.db2.gz HIELCQGUQYBMHR-VQFNDLOPSA-N 1 2 345.512 3.020 20 30 EGEDLO Cc1cc(NC[C@H]2C[C@H](C)N(C(=O)C#CC(C)C)C2)nc(C(C)C)[nH+]1 ZINC001114682499 1370022822 /nfs/dbraw/zinc/02/28/22/1370022822.db2.gz YKSNDTUVXLENES-DLBZAZTESA-N 1 2 342.487 3.217 20 30 EGEDLO C=CCC(CC=C)C(=O)N1C[C@H](CNc2cc[nH+]c(C)n2)C[C@@H]1C ZINC001114690511 1370026507 /nfs/dbraw/zinc/02/65/07/1370026507.db2.gz BCKJXTHFXIFAPI-HOCLYGCPSA-N 1 2 328.460 3.202 20 30 EGEDLO CC(C)c1cc(NC[C@H]2C[C@H](NC(=O)[C@@H](C)C#N)C2)nc(C(C)C)[nH+]1 ZINC001114749265 1370060714 /nfs/dbraw/zinc/06/07/14/1370060714.db2.gz VHZYGQFKDTWZSY-KKUMJFAQSA-N 1 2 343.475 3.190 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1C[C@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001114755487 1370063390 /nfs/dbraw/zinc/06/33/90/1370063390.db2.gz PCAFQIZEQSRSJL-QAQDUYKDSA-N 1 2 342.487 3.409 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001114780507 1370076601 /nfs/dbraw/zinc/07/66/01/1370076601.db2.gz IOGLRVRAYRLOSZ-HWKAVOKNSA-N 1 2 345.487 3.121 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001114780507 1370076604 /nfs/dbraw/zinc/07/66/04/1370076604.db2.gz IOGLRVRAYRLOSZ-HWKAVOKNSA-N 1 2 345.487 3.121 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N[C@H]1C[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001114806866 1370090224 /nfs/dbraw/zinc/09/02/24/1370090224.db2.gz GYQSPRDXKJPRCP-DNNBLBMLSA-N 1 2 342.487 3.427 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1cc(Cl)ccc1O ZINC001203657150 1370203947 /nfs/dbraw/zinc/20/39/47/1370203947.db2.gz GOHUMUKQANXBKP-MRXNPFEDSA-N 1 2 347.846 3.081 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1cc(Cl)ccc1O ZINC001203657150 1370203950 /nfs/dbraw/zinc/20/39/50/1370203950.db2.gz GOHUMUKQANXBKP-MRXNPFEDSA-N 1 2 347.846 3.081 20 30 EGEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1Cc1cc(C)ccc1C ZINC001203748148 1370247445 /nfs/dbraw/zinc/24/74/45/1370247445.db2.gz MPSRSJPLQYNQHH-IBGZPJMESA-N 1 2 340.471 3.217 20 30 EGEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1Cc1cc(C)ccc1C ZINC001203748148 1370247448 /nfs/dbraw/zinc/24/74/48/1370247448.db2.gz MPSRSJPLQYNQHH-IBGZPJMESA-N 1 2 340.471 3.217 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001203905826 1370309491 /nfs/dbraw/zinc/30/94/91/1370309491.db2.gz DPAXKQZUYDXYIQ-IRXDYDNUSA-N 1 2 327.428 3.142 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001203905826 1370309498 /nfs/dbraw/zinc/30/94/98/1370309498.db2.gz DPAXKQZUYDXYIQ-IRXDYDNUSA-N 1 2 327.428 3.142 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4nccs4)C[C@H]32)CCCCC1 ZINC001115277851 1370355823 /nfs/dbraw/zinc/35/58/23/1370355823.db2.gz IMTKTVDKSKKFGG-QLPKVWCKSA-N 1 2 345.512 3.216 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4nccs4)C[C@H]32)CCCCC1 ZINC001115277851 1370355828 /nfs/dbraw/zinc/35/58/28/1370355828.db2.gz IMTKTVDKSKKFGG-QLPKVWCKSA-N 1 2 345.512 3.216 20 30 EGEDLO Cc1cc(N[C@H](CCNC(=O)C#CC(C)C)C(C)C)nc(C2CC2)[nH+]1 ZINC001115313164 1370376225 /nfs/dbraw/zinc/37/62/25/1370376225.db2.gz RIIHWUOMUGQYRN-QGZVFWFLSA-N 1 2 342.487 3.265 20 30 EGEDLO CCn1c2ccccc2nc1N1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001204373591 1370458169 /nfs/dbraw/zinc/45/81/69/1370458169.db2.gz XYSSHXUMVQSWJN-UHFFFAOYSA-N 1 2 345.450 3.250 20 30 EGEDLO CC(C)c1cc(N[C@@H](C)CN(C)C(=O)[C@@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001115660488 1370644791 /nfs/dbraw/zinc/64/47/91/1370644791.db2.gz OEEKRICLHNZOLC-KBPBESRZSA-N 1 2 331.464 3.142 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](OCCC(=O)c2ccccc2)C1 ZINC001205357922 1370731286 /nfs/dbraw/zinc/73/12/86/1370731286.db2.gz NUBZHXZAAJXZJK-FQEVSTJZSA-N 1 2 334.419 3.422 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](OCCC(=O)c2ccccc2)C1 ZINC001205357922 1370731289 /nfs/dbraw/zinc/73/12/89/1370731289.db2.gz NUBZHXZAAJXZJK-FQEVSTJZSA-N 1 2 334.419 3.422 20 30 EGEDLO CC(C)(C)OC(=O)N1CCC2(C[NH+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001205459134 1370761466 /nfs/dbraw/zinc/76/14/66/1370761466.db2.gz CVJZYVHRNBOPIM-UHFFFAOYSA-N 1 2 345.418 3.140 20 30 EGEDLO C=CCn1cnn(C[N@H+]2Cc3ccccc3N(C)C[C@H]2CC)c1=S ZINC001116244521 1370867797 /nfs/dbraw/zinc/86/77/97/1370867797.db2.gz SASSWFYDOFSKQC-MRXNPFEDSA-N 1 2 343.500 3.288 20 30 EGEDLO C=CCn1cnn(C[N@@H+]2Cc3ccccc3N(C)C[C@H]2CC)c1=S ZINC001116244521 1370867799 /nfs/dbraw/zinc/86/77/99/1370867799.db2.gz SASSWFYDOFSKQC-MRXNPFEDSA-N 1 2 343.500 3.288 20 30 EGEDLO CC(C)=CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001205870909 1370896928 /nfs/dbraw/zinc/89/69/28/1370896928.db2.gz DHFSZISTXRHBKF-CRAIPNDOSA-N 1 2 330.859 3.094 20 30 EGEDLO CC(C)=CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001205870909 1370896931 /nfs/dbraw/zinc/89/69/31/1370896931.db2.gz DHFSZISTXRHBKF-CRAIPNDOSA-N 1 2 330.859 3.094 20 30 EGEDLO CC/C=C(\C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206356113 1371031791 /nfs/dbraw/zinc/03/17/91/1371031791.db2.gz HSJQPDWSFWTYBE-CGPNCGHOSA-N 1 2 344.886 3.484 20 30 EGEDLO CC/C=C(\C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206356113 1371031794 /nfs/dbraw/zinc/03/17/94/1371031794.db2.gz HSJQPDWSFWTYBE-CGPNCGHOSA-N 1 2 344.886 3.484 20 30 EGEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1cc(F)cc(CC#N)c1 ZINC001206539028 1371087953 /nfs/dbraw/zinc/08/79/53/1371087953.db2.gz AYHICCIGLOENTQ-UHFFFAOYSA-N 1 2 340.398 3.400 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)/C=C\C(C)(C)C ZINC001206651305 1371120425 /nfs/dbraw/zinc/12/04/25/1371120425.db2.gz NSNJISCFKIFPNI-IEHAEYMASA-N 1 2 343.446 3.236 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)/C=C\C(C)(C)C ZINC001206651305 1371120428 /nfs/dbraw/zinc/12/04/28/1371120428.db2.gz NSNJISCFKIFPNI-IEHAEYMASA-N 1 2 343.446 3.236 20 30 EGEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC001206659321 1371124363 /nfs/dbraw/zinc/12/43/63/1371124363.db2.gz JMHKIZRDQLRIQK-UEKVPHQBSA-N 1 2 340.254 3.090 20 30 EGEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC001206659321 1371124368 /nfs/dbraw/zinc/12/43/68/1371124368.db2.gz JMHKIZRDQLRIQK-UEKVPHQBSA-N 1 2 340.254 3.090 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2c(F)cccc2Cl)C[C@H]1C ZINC001206911358 1371220439 /nfs/dbraw/zinc/22/04/39/1371220439.db2.gz MGFVKFPUDBYFGM-CXAGYDPISA-N 1 2 336.838 3.219 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2c(F)cccc2Cl)C[C@H]1C ZINC001206911358 1371220444 /nfs/dbraw/zinc/22/04/44/1371220444.db2.gz MGFVKFPUDBYFGM-CXAGYDPISA-N 1 2 336.838 3.219 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)c2F)C[C@H]1C ZINC001206912659 1371221582 /nfs/dbraw/zinc/22/15/82/1371221582.db2.gz WOJHXIKUFGUKSR-CZUORRHYSA-N 1 2 336.838 3.219 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)c2F)C[C@H]1C ZINC001206912659 1371221586 /nfs/dbraw/zinc/22/15/86/1371221586.db2.gz WOJHXIKUFGUKSR-CZUORRHYSA-N 1 2 336.838 3.219 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2Cl)C[C@H]1C ZINC001206938075 1371234203 /nfs/dbraw/zinc/23/42/03/1371234203.db2.gz GIBDXDUKULNTAF-CXAGYDPISA-N 1 2 336.838 3.075 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2Cl)C[C@H]1C ZINC001206938075 1371234204 /nfs/dbraw/zinc/23/42/04/1371234204.db2.gz GIBDXDUKULNTAF-CXAGYDPISA-N 1 2 336.838 3.075 20 30 EGEDLO CCc1[nH]c(CNc2nc3c(c(C#N)c2C#N)CCCCCC3)c[nH+]1 ZINC001187739972 1388153703 /nfs/dbraw/zinc/15/37/03/1388153703.db2.gz RJMHREQJDRDKGJ-UHFFFAOYSA-N 1 2 334.427 3.382 20 30 EGEDLO CCc1[nH]cc(CNc2nc3c(c(C#N)c2C#N)CCCCCC3)[nH+]1 ZINC001187739972 1388153709 /nfs/dbraw/zinc/15/37/09/1388153709.db2.gz RJMHREQJDRDKGJ-UHFFFAOYSA-N 1 2 334.427 3.382 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](Cc2ncc(C(C)(C)C)o2)C[C@H]1C ZINC001208376508 1371742334 /nfs/dbraw/zinc/74/23/34/1371742334.db2.gz HQSRULDEKFTSDV-HZPDHXFCSA-N 1 2 345.487 3.102 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C(C)(C)C)o2)C[C@H]1C ZINC001208376508 1371742338 /nfs/dbraw/zinc/74/23/38/1371742338.db2.gz HQSRULDEKFTSDV-HZPDHXFCSA-N 1 2 345.487 3.102 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001208393261 1371752101 /nfs/dbraw/zinc/75/21/01/1371752101.db2.gz MJWUFGSWIYUDOB-IJEWVQPXSA-N 1 2 331.460 3.091 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001208393261 1371752109 /nfs/dbraw/zinc/75/21/09/1371752109.db2.gz MJWUFGSWIYUDOB-IJEWVQPXSA-N 1 2 331.460 3.091 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ncc(C)s3)C[C@H]2C)CCC1 ZINC001208517810 1371797333 /nfs/dbraw/zinc/79/73/33/1371797333.db2.gz WNTWCEPGQOFXJX-UKRRQHHQSA-N 1 2 333.501 3.134 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ncc(C)s3)C[C@H]2C)CCC1 ZINC001208517810 1371797338 /nfs/dbraw/zinc/79/73/38/1371797338.db2.gz WNTWCEPGQOFXJX-UKRRQHHQSA-N 1 2 333.501 3.134 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2nc3c(o2)CCCC3)C[C@H]1C ZINC001208954881 1371963083 /nfs/dbraw/zinc/96/30/83/1371963083.db2.gz SVYNEHAJURFIJE-GDBMZVCRSA-N 1 2 345.487 3.092 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2nc3c(o2)CCCC3)C[C@H]1C ZINC001208954881 1371963087 /nfs/dbraw/zinc/96/30/87/1371963087.db2.gz SVYNEHAJURFIJE-GDBMZVCRSA-N 1 2 345.487 3.092 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](CCc3cc(F)cc(F)c3)CC2)c(F)c1 ZINC001209132938 1372008611 /nfs/dbraw/zinc/00/86/11/1372008611.db2.gz LSANURCWLXFESJ-UHFFFAOYSA-N 1 2 345.368 3.340 20 30 EGEDLO C=C1CC(C)(C(=O)NC2CC3(C2)CC([NH2+]CC(F)(F)C(F)F)C3)C1 ZINC001121740892 1372065906 /nfs/dbraw/zinc/06/59/06/1372065906.db2.gz SZXSFADZQXJOEW-UHFFFAOYSA-N 1 2 348.384 3.260 20 30 EGEDLO CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C[N@@H+]1CC[C@H](C#N)C1 ZINC001209319100 1372066572 /nfs/dbraw/zinc/06/65/72/1372066572.db2.gz XTVOBVGZPZBGSW-QAPCUYQASA-N 1 2 341.455 3.194 20 30 EGEDLO CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C[N@H+]1CC[C@H](C#N)C1 ZINC001209319100 1372066575 /nfs/dbraw/zinc/06/65/75/1372066575.db2.gz XTVOBVGZPZBGSW-QAPCUYQASA-N 1 2 341.455 3.194 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)CCC(C)(C)C ZINC001209618811 1372153507 /nfs/dbraw/zinc/15/35/07/1372153507.db2.gz UDKLMEIJOWKUDJ-RDTXWAMCSA-N 1 2 345.462 3.460 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)CCC(C)(C)C ZINC001209618811 1372153510 /nfs/dbraw/zinc/15/35/10/1372153510.db2.gz UDKLMEIJOWKUDJ-RDTXWAMCSA-N 1 2 345.462 3.460 20 30 EGEDLO N#C[C@@H]1C[NH2+]CCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001210122974 1372275699 /nfs/dbraw/zinc/27/56/99/1372275699.db2.gz XCGABBPCYKWHHV-GFCCVEGCSA-N 1 2 337.267 3.022 20 30 EGEDLO N#C[C@@H]1C[NH2+]CCN1Cc1ccc(OCc2ccccc2)cc1Cl ZINC001210123146 1372276183 /nfs/dbraw/zinc/27/61/83/1372276183.db2.gz ZGHJQOWJSWEVJZ-QGZVFWFLSA-N 1 2 341.842 3.216 20 30 EGEDLO Cc1cc(N[C@@H]2CCN(C(=O)C#CC(C)(C)C)[C@@H]2C)nc(C2CC2)[nH+]1 ZINC001122977100 1372352998 /nfs/dbraw/zinc/35/29/98/1372352998.db2.gz HBELDVRBXGALPS-GDBMZVCRSA-N 1 2 340.471 3.113 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)[C@@H]1C ZINC001123097799 1372379655 /nfs/dbraw/zinc/37/96/55/1372379655.db2.gz GSVYKBSYHBRWMJ-WMLDXEAASA-N 1 2 342.487 3.421 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)on3)C[C@H]2C)CCCCC1 ZINC001211235664 1372508413 /nfs/dbraw/zinc/50/84/13/1372508413.db2.gz UTOVDIKAAPETLR-CRAIPNDOSA-N 1 2 345.487 3.446 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)on3)C[C@H]2C)CCCCC1 ZINC001211235664 1372508417 /nfs/dbraw/zinc/50/84/17/1372508417.db2.gz UTOVDIKAAPETLR-CRAIPNDOSA-N 1 2 345.487 3.446 20 30 EGEDLO N#Cc1cc(Nc2ccc[nH+]c2N2CCOCC2)ccc1N1CCCC1 ZINC001212362064 1372694928 /nfs/dbraw/zinc/69/49/28/1372694928.db2.gz FVSBYZPPKWEDGB-UHFFFAOYSA-N 1 2 349.438 3.134 20 30 EGEDLO CCOC(=O)c1ccc2[nH+]ccc(Nc3ccc(C#N)cc3N)c2c1 ZINC001213353918 1372890267 /nfs/dbraw/zinc/89/02/67/1372890267.db2.gz PFEXQORBQYWQJV-UHFFFAOYSA-N 1 2 332.363 3.031 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+](Cc3csc(CC)n3)C[C@H]21 ZINC001188063707 1388233369 /nfs/dbraw/zinc/23/33/69/1388233369.db2.gz OCHKXIXRZUXBOL-GOEBONIOSA-N 1 2 347.528 3.341 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](Cc3csc(CC)n3)C[C@H]21 ZINC001188063707 1388233372 /nfs/dbraw/zinc/23/33/72/1388233372.db2.gz OCHKXIXRZUXBOL-GOEBONIOSA-N 1 2 347.528 3.341 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3nnc(C)s3)C[C@H]21 ZINC001188063960 1388233615 /nfs/dbraw/zinc/23/36/15/1388233615.db2.gz UGKNGSNBAPGGGY-AEGPPILISA-N 1 2 348.516 3.043 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)c3nnc(C)s3)C[C@H]21 ZINC001188063960 1388233616 /nfs/dbraw/zinc/23/36/16/1388233616.db2.gz UGKNGSNBAPGGGY-AEGPPILISA-N 1 2 348.516 3.043 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@H]2OC)CCCCC1 ZINC001213903376 1372978862 /nfs/dbraw/zinc/97/88/62/1372978862.db2.gz SQWRVDQVUWUDIG-KNFPLBEISA-N 1 2 340.895 3.081 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@H]2OC)CCCCC1 ZINC001213903376 1372978866 /nfs/dbraw/zinc/97/88/66/1372978866.db2.gz SQWRVDQVUWUDIG-KNFPLBEISA-N 1 2 340.895 3.081 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H](C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001126762371 1373016323 /nfs/dbraw/zinc/01/63/23/1373016323.db2.gz AZBWFFLNKOGJPA-INIZCTEOSA-N 1 2 342.487 3.090 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3nc(C(C)C)no3)C[C@H]21 ZINC001188087705 1388239868 /nfs/dbraw/zinc/23/98/68/1388239868.db2.gz XSDFKHAQOAPKHA-OWCLPIDISA-N 1 2 346.475 3.143 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)c3nc(C(C)C)no3)C[C@H]21 ZINC001188087705 1388239873 /nfs/dbraw/zinc/23/98/73/1388239873.db2.gz XSDFKHAQOAPKHA-OWCLPIDISA-N 1 2 346.475 3.143 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC1(C2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC001127141356 1373096959 /nfs/dbraw/zinc/09/69/59/1373096959.db2.gz UHEYTDCZCDKIBZ-OAHLLOKOSA-N 1 2 342.487 3.253 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)/C=C(\C)CC)c2C1 ZINC001128336978 1373254007 /nfs/dbraw/zinc/25/40/07/1373254007.db2.gz DKTJIMYJKYRKID-GHRIWEEISA-N 1 2 344.503 3.418 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)/C=C(\C)CC)c2C1 ZINC001128336978 1373254010 /nfs/dbraw/zinc/25/40/10/1373254010.db2.gz DKTJIMYJKYRKID-GHRIWEEISA-N 1 2 344.503 3.418 20 30 EGEDLO Cc1ccc(Nc2cc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c(C)n2)cc1C#N ZINC001216073943 1373258493 /nfs/dbraw/zinc/25/84/93/1373258493.db2.gz WDTIYMBBFIXUGG-OKILXGFUSA-N 1 2 337.427 3.322 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)CCCC[C@H](C)CC)c2C1 ZINC001128371695 1373258803 /nfs/dbraw/zinc/25/88/03/1373258803.db2.gz CDVCJEFXJFBIND-QGZVFWFLSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)CCCC[C@H](C)CC)c2C1 ZINC001128371695 1373258806 /nfs/dbraw/zinc/25/88/06/1373258806.db2.gz CDVCJEFXJFBIND-QGZVFWFLSA-N 1 2 346.519 3.498 20 30 EGEDLO Cc1ccc(Nc2cc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c(C)n2)cc1C#N ZINC001216073942 1373258853 /nfs/dbraw/zinc/25/88/53/1373258853.db2.gz WDTIYMBBFIXUGG-KBPBESRZSA-N 1 2 337.427 3.322 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H](C)CC3CCCC3)c2C1 ZINC001128509799 1373280090 /nfs/dbraw/zinc/28/00/90/1373280090.db2.gz SSTSOEXILWXOJE-MRXNPFEDSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H](C)CC3CCCC3)c2C1 ZINC001128509799 1373280094 /nfs/dbraw/zinc/28/00/94/1373280094.db2.gz SSTSOEXILWXOJE-MRXNPFEDSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C(C)(C)CCCCC)c2C1 ZINC001128586848 1373294475 /nfs/dbraw/zinc/29/44/75/1373294475.db2.gz OXMCHQHSQWFAPO-UHFFFAOYSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C(C)(C)CCCCC)c2C1 ZINC001128586848 1373294477 /nfs/dbraw/zinc/29/44/77/1373294477.db2.gz OXMCHQHSQWFAPO-UHFFFAOYSA-N 1 2 346.519 3.498 20 30 EGEDLO COc1cc(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)ccc1C#N ZINC001216969426 1373373235 /nfs/dbraw/zinc/37/32/35/1373373235.db2.gz ZJQGXPSUUCLFLH-UHFFFAOYSA-N 1 2 343.346 3.470 20 30 EGEDLO C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001221562011 1373782089 /nfs/dbraw/zinc/78/20/89/1373782089.db2.gz GTNIKUMKFKLKSD-MCIONIFRSA-N 1 2 336.373 3.166 20 30 EGEDLO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001221562011 1373782093 /nfs/dbraw/zinc/78/20/93/1373782093.db2.gz GTNIKUMKFKLKSD-MCIONIFRSA-N 1 2 336.373 3.166 20 30 EGEDLO CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001221562265 1373782112 /nfs/dbraw/zinc/78/21/12/1373782112.db2.gz UITHKZMHEGDSNJ-MGPQQGTHSA-N 1 2 338.389 3.390 20 30 EGEDLO CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001221562265 1373782115 /nfs/dbraw/zinc/78/21/15/1373782115.db2.gz UITHKZMHEGDSNJ-MGPQQGTHSA-N 1 2 338.389 3.390 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC001131900391 1375037116 /nfs/dbraw/zinc/03/71/16/1375037116.db2.gz XOSJRLKGKRIAFZ-DLBZAZTESA-N 1 2 344.503 3.434 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC001131900391 1375037117 /nfs/dbraw/zinc/03/71/17/1375037117.db2.gz XOSJRLKGKRIAFZ-DLBZAZTESA-N 1 2 344.503 3.434 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)/C=C(\C)C2CC2)CC[C@@H]1C ZINC001131903954 1375037899 /nfs/dbraw/zinc/03/78/99/1375037899.db2.gz MEPRLGNSEDKURY-IVHIMIEMSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)/C=C(\C)C2CC2)CC[C@@H]1C ZINC001131903954 1375037906 /nfs/dbraw/zinc/03/79/06/1375037906.db2.gz MEPRLGNSEDKURY-IVHIMIEMSA-N 1 2 341.293 3.220 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001132003260 1375093545 /nfs/dbraw/zinc/09/35/45/1375093545.db2.gz RVTLFEZLMBAWIV-RHSMWYFYSA-N 1 2 334.410 3.237 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(F)ccc2F)C1 ZINC001132003260 1375093550 /nfs/dbraw/zinc/09/35/50/1375093550.db2.gz RVTLFEZLMBAWIV-RHSMWYFYSA-N 1 2 334.410 3.237 20 30 EGEDLO Cc1nc(C[N@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@H]2C)sc1C ZINC001132034899 1375109566 /nfs/dbraw/zinc/10/95/66/1375109566.db2.gz WGWPHNAVIONZMU-CJNGLKHVSA-N 1 2 347.528 3.279 20 30 EGEDLO Cc1nc(C[N@@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@H]2C)sc1C ZINC001132034899 1375109568 /nfs/dbraw/zinc/10/95/68/1375109568.db2.gz WGWPHNAVIONZMU-CJNGLKHVSA-N 1 2 347.528 3.279 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1ccc(F)c(F)c1 ZINC001132034724 1375109973 /nfs/dbraw/zinc/10/99/73/1375109973.db2.gz UQQVFXFDZBXQDZ-HOCLYGCPSA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1ccc(F)c(F)c1 ZINC001132034724 1375109974 /nfs/dbraw/zinc/10/99/74/1375109974.db2.gz UQQVFXFDZBXQDZ-HOCLYGCPSA-N 1 2 348.437 3.483 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2nocc2C)C1 ZINC001132078590 1375135253 /nfs/dbraw/zinc/13/52/53/1375135253.db2.gz MRFWYBBDGINERX-JSGCOSHPSA-N 1 2 339.867 3.231 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2nocc2C)C1 ZINC001132078590 1375135256 /nfs/dbraw/zinc/13/52/56/1375135256.db2.gz MRFWYBBDGINERX-JSGCOSHPSA-N 1 2 339.867 3.231 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2nccs2)C1 ZINC001132079052 1375135927 /nfs/dbraw/zinc/13/59/27/1375135927.db2.gz SEXWEKZOPALKRF-YPMHNXCESA-N 1 2 341.908 3.391 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2nccs2)C1 ZINC001132079052 1375135931 /nfs/dbraw/zinc/13/59/31/1375135931.db2.gz SEXWEKZOPALKRF-YPMHNXCESA-N 1 2 341.908 3.391 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCC2CCOCC2)CC[C@H]1C ZINC001132082281 1375136997 /nfs/dbraw/zinc/13/69/97/1375136997.db2.gz GBPLIVBLHXDEPC-WBVHZDCISA-N 1 2 342.911 3.305 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCC2CCOCC2)CC[C@H]1C ZINC001132082281 1375137000 /nfs/dbraw/zinc/13/70/00/1375137000.db2.gz GBPLIVBLHXDEPC-WBVHZDCISA-N 1 2 342.911 3.305 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)COC2CCCCC2)CC[C@H]1C ZINC001132150580 1375172014 /nfs/dbraw/zinc/17/20/14/1375172014.db2.gz STJBRUUACWUBJP-CABCVRRESA-N 1 2 328.884 3.057 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)COC2CCCCC2)CC[C@H]1C ZINC001132150580 1375172017 /nfs/dbraw/zinc/17/20/17/1375172017.db2.gz STJBRUUACWUBJP-CABCVRRESA-N 1 2 328.884 3.057 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCc2ccc(F)cc2)CC[C@@H]1C ZINC001132158028 1375176090 /nfs/dbraw/zinc/17/60/90/1375176090.db2.gz WJTGLFYEDFKINH-YOEHRIQHSA-N 1 2 338.854 3.480 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCc2ccc(F)cc2)CC[C@@H]1C ZINC001132158028 1375176094 /nfs/dbraw/zinc/17/60/94/1375176094.db2.gz WJTGLFYEDFKINH-YOEHRIQHSA-N 1 2 338.854 3.480 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCc2nc(C)cs2)CC[C@@H]1C ZINC001132174246 1375188380 /nfs/dbraw/zinc/18/83/80/1375188380.db2.gz UMGLQFSRATXRBU-UONOGXRCSA-N 1 2 341.908 3.106 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCc2nc(C)cs2)CC[C@@H]1C ZINC001132174246 1375188382 /nfs/dbraw/zinc/18/83/82/1375188382.db2.gz UMGLQFSRATXRBU-UONOGXRCSA-N 1 2 341.908 3.106 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001132218667 1375217343 /nfs/dbraw/zinc/21/73/43/1375217343.db2.gz TXRSIUGVAMDATC-UKRRQHHQSA-N 1 2 335.879 3.416 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001132218667 1375217346 /nfs/dbraw/zinc/21/73/46/1375217346.db2.gz TXRSIUGVAMDATC-UKRRQHHQSA-N 1 2 335.879 3.416 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2csc(CC)n2)C1 ZINC001132223055 1375220502 /nfs/dbraw/zinc/22/05/02/1375220502.db2.gz AZNIOUSOFLSGQO-HZPDHXFCSA-N 1 2 347.528 3.368 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2csc(CC)n2)C1 ZINC001132223055 1375220503 /nfs/dbraw/zinc/22/05/03/1375220503.db2.gz AZNIOUSOFLSGQO-HZPDHXFCSA-N 1 2 347.528 3.368 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001132228079 1375222763 /nfs/dbraw/zinc/22/27/63/1375222763.db2.gz LUNCDYIQLKZHCT-CABCVRRESA-N 1 2 345.487 3.235 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001132228079 1375222766 /nfs/dbraw/zinc/22/27/66/1375222766.db2.gz LUNCDYIQLKZHCT-CABCVRRESA-N 1 2 345.487 3.235 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ncoc2C(C)C)C1 ZINC001132234829 1375229845 /nfs/dbraw/zinc/22/98/45/1375229845.db2.gz FLMGRTQWMOTEPV-IRXDYDNUSA-N 1 2 345.487 3.461 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001132234829 1375229848 /nfs/dbraw/zinc/22/98/48/1375229848.db2.gz FLMGRTQWMOTEPV-IRXDYDNUSA-N 1 2 345.487 3.461 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2nc(C)oc2C)C1 ZINC001132241107 1375237338 /nfs/dbraw/zinc/23/73/38/1375237338.db2.gz QREAYTUGARUSCI-YJBOKZPZSA-N 1 2 345.487 3.344 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2nc(C)oc2C)C1 ZINC001132241107 1375237346 /nfs/dbraw/zinc/23/73/46/1375237346.db2.gz QREAYTUGARUSCI-YJBOKZPZSA-N 1 2 345.487 3.344 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001132256725 1375251001 /nfs/dbraw/zinc/25/10/01/1375251001.db2.gz PNSJLCJHBICESV-HOTGVXAUSA-N 1 2 345.487 3.379 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2noc3c2CCCC3)C1 ZINC001132256725 1375251002 /nfs/dbraw/zinc/25/10/02/1375251002.db2.gz PNSJLCJHBICESV-HOTGVXAUSA-N 1 2 345.487 3.379 20 30 EGEDLO CC(C)C#CC(=O)NC1CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC001227233590 1375409571 /nfs/dbraw/zinc/40/95/71/1375409571.db2.gz WWIMIDCTSKNPGW-UHFFFAOYSA-N 1 2 336.838 3.219 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCc2cccs2)CC[C@H]1C ZINC001132478919 1375415977 /nfs/dbraw/zinc/41/59/77/1375415977.db2.gz RCRAEUYRCKNTAW-KGLIPLIRSA-N 1 2 326.893 3.402 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCc2cccs2)CC[C@H]1C ZINC001132478919 1375415980 /nfs/dbraw/zinc/41/59/80/1375415980.db2.gz RCRAEUYRCKNTAW-KGLIPLIRSA-N 1 2 326.893 3.402 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCc2cccs2)CC[C@@H]1C ZINC001132478918 1375416105 /nfs/dbraw/zinc/41/61/05/1375416105.db2.gz RCRAEUYRCKNTAW-KBPBESRZSA-N 1 2 326.893 3.402 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCc2cccs2)CC[C@@H]1C ZINC001132478918 1375416106 /nfs/dbraw/zinc/41/61/06/1375416106.db2.gz RCRAEUYRCKNTAW-KBPBESRZSA-N 1 2 326.893 3.402 20 30 EGEDLO CCCCCCC[NH+]1CCC(NC(=O)C(F)C(F)(F)F)CC1 ZINC001227482052 1375436545 /nfs/dbraw/zinc/43/65/45/1375436545.db2.gz YTWFIZROABWKMW-ZDUSSCGKSA-N 1 2 326.378 3.438 20 30 EGEDLO CCCCCCC[NH+]1CCC(NC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001227482052 1375436546 /nfs/dbraw/zinc/43/65/46/1375436546.db2.gz YTWFIZROABWKMW-ZDUSSCGKSA-N 1 2 326.378 3.438 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2nc3c(o2)CCCC3)CC1 ZINC001228747568 1375660088 /nfs/dbraw/zinc/66/00/88/1375660088.db2.gz CPLAAWPCVREGKF-HUUCEWRRSA-N 1 2 345.487 3.092 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC1CC[NH+]([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC001228794808 1375679276 /nfs/dbraw/zinc/67/92/76/1375679276.db2.gz NBVCQEDZLYTDEF-GJZGRUSLSA-N 1 2 348.491 3.437 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC1CC[NH+]([C@H](C)c2nc(C(C)C)no2)CC1 ZINC001228809008 1375684127 /nfs/dbraw/zinc/68/41/27/1375684127.db2.gz CPKORBIALPCRGN-HUUCEWRRSA-N 1 2 348.491 3.437 20 30 EGEDLO C=C[C@@H](C(=O)NC1CC[NH+](Cc2coc(C)n2)CC1)c1ccccc1 ZINC001230331926 1375998609 /nfs/dbraw/zinc/99/86/09/1375998609.db2.gz JVUXJKUISHATET-LJQANCHMSA-N 1 2 339.439 3.033 20 30 EGEDLO C#CC[C@H](CC)Oc1ccc2c(c1)[C@H]1OCC[N@@H+](CCC)[C@@H]1CO2 ZINC001230426300 1376026905 /nfs/dbraw/zinc/02/69/05/1376026905.db2.gz FQNXBVPSFZLRAR-QKYXUNIQSA-N 1 2 329.440 3.412 20 30 EGEDLO C#CC[C@H](CC)Oc1ccc2c(c1)[C@H]1OCC[N@H+](CCC)[C@@H]1CO2 ZINC001230426300 1376026908 /nfs/dbraw/zinc/02/69/08/1376026908.db2.gz FQNXBVPSFZLRAR-QKYXUNIQSA-N 1 2 329.440 3.412 20 30 EGEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(OC(F)(F)F)cc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230482694 1376036895 /nfs/dbraw/zinc/03/68/95/1376036895.db2.gz WDLYBOVYTKRBJV-LSVRBPJHSA-N 1 2 349.736 3.230 20 30 EGEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(OC(F)(F)F)cc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230482694 1376036901 /nfs/dbraw/zinc/03/69/01/1376036901.db2.gz WDLYBOVYTKRBJV-LSVRBPJHSA-N 1 2 349.736 3.230 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)CC1CCCC1 ZINC001230654616 1376117855 /nfs/dbraw/zinc/11/78/55/1376117855.db2.gz QPVHXXKPCPJNJK-SFHVURJKSA-N 1 2 343.446 3.310 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)CC1CCCC1 ZINC001230654616 1376117859 /nfs/dbraw/zinc/11/78/59/1376117859.db2.gz QPVHXXKPCPJNJK-SFHVURJKSA-N 1 2 343.446 3.310 20 30 EGEDLO CCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001230776403 1376149296 /nfs/dbraw/zinc/14/92/96/1376149296.db2.gz RKOJTHXNNBIOMO-KRWDZBQOSA-N 1 2 331.435 3.310 20 30 EGEDLO CCCCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001230776403 1376149300 /nfs/dbraw/zinc/14/93/00/1376149300.db2.gz RKOJTHXNNBIOMO-KRWDZBQOSA-N 1 2 331.435 3.310 20 30 EGEDLO CCOc1nc(O[C@H]2CCN3Cc4ccccc4[NH+]=C23)c(C#N)s1 ZINC001231090706 1376201842 /nfs/dbraw/zinc/20/18/42/1376201842.db2.gz IYKQSWHAUZBLEH-ZDUSSCGKSA-N 1 2 340.408 3.110 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3nc(C(C)C)no3)C[C@H]21 ZINC001188985236 1388428172 /nfs/dbraw/zinc/42/81/72/1388428172.db2.gz BHCQZLLCFMOLOC-HRCADAONSA-N 1 2 346.475 3.143 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)c3nc(C(C)C)no3)C[C@H]21 ZINC001188985236 1388428176 /nfs/dbraw/zinc/42/81/76/1388428176.db2.gz BHCQZLLCFMOLOC-HRCADAONSA-N 1 2 346.475 3.143 20 30 EGEDLO CC(C)[C@@H](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001231112842 1376204936 /nfs/dbraw/zinc/20/49/36/1376204936.db2.gz FVXSBWORRVFFGC-YJBOKZPZSA-N 1 2 345.462 3.412 20 30 EGEDLO CC(C)[C@@H](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001231112842 1376204937 /nfs/dbraw/zinc/20/49/37/1376204937.db2.gz FVXSBWORRVFFGC-YJBOKZPZSA-N 1 2 345.462 3.412 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)/C=C\C(C)(C)C ZINC001231285289 1376222137 /nfs/dbraw/zinc/22/21/37/1376222137.db2.gz ZXJUNQYJTVJXHV-KMDWOBIYSA-N 1 2 343.446 3.332 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)/C=C\C(C)(C)C ZINC001231285289 1376222142 /nfs/dbraw/zinc/22/21/42/1376222142.db2.gz ZXJUNQYJTVJXHV-KMDWOBIYSA-N 1 2 343.446 3.332 20 30 EGEDLO C=CCOc1cccc(C[NH+]2CC(N3Cc4ccccc4NC3=O)C2)c1 ZINC001231624540 1376284883 /nfs/dbraw/zinc/28/48/83/1376284883.db2.gz ILWVMWXMMPENKG-UHFFFAOYSA-N 1 2 349.434 3.483 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001231911465 1376346996 /nfs/dbraw/zinc/34/69/96/1376346996.db2.gz MAHZQJJZBAHQRR-QAPCUYQASA-N 1 2 337.847 3.372 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001231911465 1376347002 /nfs/dbraw/zinc/34/70/02/1376347002.db2.gz MAHZQJJZBAHQRR-QAPCUYQASA-N 1 2 337.847 3.372 20 30 EGEDLO CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@H+](Cc1ccc(C#N)c(Cl)c1)C2 ZINC001232111748 1376400638 /nfs/dbraw/zinc/40/06/38/1376400638.db2.gz HIRLAFHCOJJHLA-KSSFIOAISA-N 1 2 347.846 3.311 20 30 EGEDLO CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@@H+](Cc1ccc(C#N)c(Cl)c1)C2 ZINC001232111748 1376400642 /nfs/dbraw/zinc/40/06/42/1376400642.db2.gz HIRLAFHCOJJHLA-KSSFIOAISA-N 1 2 347.846 3.311 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)ccc1Br ZINC001232893665 1376535232 /nfs/dbraw/zinc/53/52/32/1376535232.db2.gz LMVIZKBTPFOQCM-CZUORRHYSA-N 1 2 335.245 3.322 20 30 EGEDLO N#Cc1cc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)ccc1Br ZINC001232893665 1376535234 /nfs/dbraw/zinc/53/52/34/1376535234.db2.gz LMVIZKBTPFOQCM-CZUORRHYSA-N 1 2 335.245 3.322 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)CC(C)(C)C1CC1 ZINC001234113651 1376768371 /nfs/dbraw/zinc/76/83/71/1376768371.db2.gz XLHDRMOAQTUKEG-LJQANCHMSA-N 1 2 339.483 3.417 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)CC(C)(C)C1CC1 ZINC001234113651 1376768375 /nfs/dbraw/zinc/76/83/75/1376768375.db2.gz XLHDRMOAQTUKEG-LJQANCHMSA-N 1 2 339.483 3.417 20 30 EGEDLO N#Cc1cc(F)c(C[N@@H+]2CCC[C@@H](Oc3ccncc3)C2)c(F)c1 ZINC001235667307 1376882953 /nfs/dbraw/zinc/88/29/53/1376882953.db2.gz OFOYWMXGPVOPCP-OAHLLOKOSA-N 1 2 329.350 3.275 20 30 EGEDLO N#Cc1cc(F)c(C[N@H+]2CCC[C@@H](Oc3ccncc3)C2)c(F)c1 ZINC001235667307 1376882958 /nfs/dbraw/zinc/88/29/58/1376882958.db2.gz OFOYWMXGPVOPCP-OAHLLOKOSA-N 1 2 329.350 3.275 20 30 EGEDLO Cc1cccc(O[C@H]2CC[N@H+](Cc3c(F)cc(C#N)cc3F)C2)n1 ZINC001235666873 1376883195 /nfs/dbraw/zinc/88/31/95/1376883195.db2.gz MOSGTBRQPRXWKK-AWEZNQCLSA-N 1 2 329.350 3.193 20 30 EGEDLO Cc1cccc(O[C@H]2CC[N@@H+](Cc3c(F)cc(C#N)cc3F)C2)n1 ZINC001235666873 1376883198 /nfs/dbraw/zinc/88/31/98/1376883198.db2.gz MOSGTBRQPRXWKK-AWEZNQCLSA-N 1 2 329.350 3.193 20 30 EGEDLO C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C1CCC1 ZINC001235743301 1376888143 /nfs/dbraw/zinc/88/81/43/1376888143.db2.gz PRJVSNBJVKHXNC-KXBFYZLASA-N 1 2 325.456 3.027 20 30 EGEDLO C[C@H](C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C1CCC1 ZINC001235743301 1376888153 /nfs/dbraw/zinc/88/81/53/1376888153.db2.gz PRJVSNBJVKHXNC-KXBFYZLASA-N 1 2 325.456 3.027 20 30 EGEDLO C=CC1(CC(=O)NCC[NH2+][C@@H](C)c2nc(C(C)C)no2)CCCCC1 ZINC001135197011 1376967932 /nfs/dbraw/zinc/96/79/32/1376967932.db2.gz SPTZUNFVSJCJAQ-HNNXBMFYSA-N 1 2 348.491 3.486 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cc1ccc(F)c(Cl)c1 ZINC001267250775 1377432320 /nfs/dbraw/zinc/43/23/20/1377432320.db2.gz NTFQUTGAQVFZCH-UHFFFAOYSA-N 1 2 333.234 3.212 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cc1ccc(F)c(Cl)c1 ZINC001267250775 1377432322 /nfs/dbraw/zinc/43/23/22/1377432322.db2.gz NTFQUTGAQVFZCH-UHFFFAOYSA-N 1 2 333.234 3.212 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@]1(C)CCOc2ccccc21)C1CC1 ZINC001267336343 1377441962 /nfs/dbraw/zinc/44/19/62/1377441962.db2.gz NOMFKKIFSFFTRV-IBGZPJMESA-N 1 2 348.874 3.060 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@]1(C)CCOc2ccccc21)C1CC1 ZINC001267336343 1377441963 /nfs/dbraw/zinc/44/19/63/1377441963.db2.gz NOMFKKIFSFFTRV-IBGZPJMESA-N 1 2 348.874 3.060 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)Cc2c[nH]c3ccccc23)C1 ZINC001267789624 1377469014 /nfs/dbraw/zinc/46/90/14/1377469014.db2.gz JIVSIKNOKQJEQV-INIZCTEOSA-N 1 2 345.874 3.386 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)Cc2c[nH]c3ccccc23)C1 ZINC001267789624 1377469016 /nfs/dbraw/zinc/46/90/16/1377469016.db2.gz JIVSIKNOKQJEQV-INIZCTEOSA-N 1 2 345.874 3.386 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1cc2ccccc2[nH]1 ZINC001137317545 1377517667 /nfs/dbraw/zinc/51/76/67/1377517667.db2.gz KCIXIJPYVBXLKB-LJQANCHMSA-N 1 2 336.439 3.203 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1cc2ccccc2[nH]1 ZINC001137317545 1377517668 /nfs/dbraw/zinc/51/76/68/1377517668.db2.gz KCIXIJPYVBXLKB-LJQANCHMSA-N 1 2 336.439 3.203 20 30 EGEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3cc(F)c(F)cc3F)CC2)nc1 ZINC001137891532 1377638635 /nfs/dbraw/zinc/63/86/35/1377638635.db2.gz XCSMBPZVOYFUNW-UHFFFAOYSA-N 1 2 346.356 3.083 20 30 EGEDLO N#Cc1ccc(N2CCC[N@H+](Cc3cc(F)c(F)cc3F)CC2)nc1 ZINC001137891532 1377638636 /nfs/dbraw/zinc/63/86/36/1377638636.db2.gz XCSMBPZVOYFUNW-UHFFFAOYSA-N 1 2 346.356 3.083 20 30 EGEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2[nH]c3ccc(F)cc3c2C)CC1 ZINC001138414306 1377719327 /nfs/dbraw/zinc/71/93/27/1377719327.db2.gz WTAPMANJQNEQAM-UHFFFAOYSA-N 1 2 343.402 3.284 20 30 EGEDLO C#CCOc1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)cc1 ZINC001138560768 1377743058 /nfs/dbraw/zinc/74/30/58/1377743058.db2.gz MYUNZSCTOUVXOL-LJQANCHMSA-N 1 2 348.437 3.394 20 30 EGEDLO CC(C)(C)OC(=O)N1CCc2sc(C[N@@H+]3CC[C@@H](C#N)C3)cc2C1 ZINC001139653737 1377926668 /nfs/dbraw/zinc/92/66/68/1377926668.db2.gz IEVSVABNDVZFPF-ZDUSSCGKSA-N 1 2 347.484 3.387 20 30 EGEDLO CC(C)(C)OC(=O)N1CCc2sc(C[N@H+]3CC[C@@H](C#N)C3)cc2C1 ZINC001139653737 1377926670 /nfs/dbraw/zinc/92/66/70/1377926670.db2.gz IEVSVABNDVZFPF-ZDUSSCGKSA-N 1 2 347.484 3.387 20 30 EGEDLO N#Cc1cccc2c(CN3CC[NH+](Cc4cccc(F)c4)CC3)c[nH]c21 ZINC001139702698 1377937855 /nfs/dbraw/zinc/93/78/55/1377937855.db2.gz FHSPMLULSBJOEK-UHFFFAOYSA-N 1 2 348.425 3.496 20 30 EGEDLO Cc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1C#N ZINC001139722962 1377941012 /nfs/dbraw/zinc/94/10/12/1377941012.db2.gz MPKNNKQLPZZTDC-OAHLLOKOSA-N 1 2 329.444 3.308 20 30 EGEDLO Cc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1C#N ZINC001139722962 1377941013 /nfs/dbraw/zinc/94/10/13/1377941013.db2.gz MPKNNKQLPZZTDC-OAHLLOKOSA-N 1 2 329.444 3.308 20 30 EGEDLO Cc1ccc(C[N@@H+]2CCC[C@H]3[C@@H]2CN3C(=O)OC(C)(C)C)cc1C#N ZINC001139724969 1377942067 /nfs/dbraw/zinc/94/20/67/1377942067.db2.gz XZGLKHGWWSXXSY-ROUUACIJSA-N 1 2 341.455 3.450 20 30 EGEDLO Cc1ccc(C[N@H+]2CCC[C@H]3[C@@H]2CN3C(=O)OC(C)(C)C)cc1C#N ZINC001139724969 1377942068 /nfs/dbraw/zinc/94/20/68/1377942068.db2.gz XZGLKHGWWSXXSY-ROUUACIJSA-N 1 2 341.455 3.450 20 30 EGEDLO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3cnc(Cl)nc3)C2)c1 ZINC001139991833 1377988339 /nfs/dbraw/zinc/98/83/39/1377988339.db2.gz LFIRMIBDOMYNJV-MRXNPFEDSA-N 1 2 328.803 3.045 20 30 EGEDLO N#Cc1cccc(O[C@@H]2CCC[N@H+](Cc3cnc(Cl)nc3)C2)c1 ZINC001139991833 1377988341 /nfs/dbraw/zinc/98/83/41/1377988341.db2.gz LFIRMIBDOMYNJV-MRXNPFEDSA-N 1 2 328.803 3.045 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cc(O)ccc1F)CCO2 ZINC001140047748 1377995196 /nfs/dbraw/zinc/99/51/96/1377995196.db2.gz MCDDZXOBAGRAEO-VQIMIIECSA-N 1 2 335.419 3.105 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1cc(O)ccc1F)CCO2 ZINC001140047748 1377995197 /nfs/dbraw/zinc/99/51/97/1377995197.db2.gz MCDDZXOBAGRAEO-VQIMIIECSA-N 1 2 335.419 3.105 20 30 EGEDLO CCOCc1noc2c1C[N@H+](Cc1c[nH]c3ccc(C#N)cc13)CC2 ZINC001140113939 1378010743 /nfs/dbraw/zinc/01/07/43/1378010743.db2.gz GUYOGPHOIKKREN-UHFFFAOYSA-N 1 2 336.395 3.122 20 30 EGEDLO CCOCc1noc2c1C[N@@H+](Cc1c[nH]c3ccc(C#N)cc13)CC2 ZINC001140113939 1378010744 /nfs/dbraw/zinc/01/07/44/1378010744.db2.gz GUYOGPHOIKKREN-UHFFFAOYSA-N 1 2 336.395 3.122 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2OC)C1 ZINC001140731316 1378126087 /nfs/dbraw/zinc/12/60/87/1378126087.db2.gz SVMCCDXQJXALEV-CYBMUJFWSA-N 1 2 338.835 3.225 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2OC)C1 ZINC001140731316 1378126089 /nfs/dbraw/zinc/12/60/89/1378126089.db2.gz SVMCCDXQJXALEV-CYBMUJFWSA-N 1 2 338.835 3.225 20 30 EGEDLO COC(=O)CC[N@H+](Cc1ccco1)Cc1cccc(C#N)c1Cl ZINC001140810385 1378148346 /nfs/dbraw/zinc/14/83/46/1378148346.db2.gz DMEFJUUGOSBYSQ-UHFFFAOYSA-N 1 2 332.787 3.370 20 30 EGEDLO COC(=O)CC[N@@H+](Cc1ccco1)Cc1cccc(C#N)c1Cl ZINC001140810385 1378148349 /nfs/dbraw/zinc/14/83/49/1378148349.db2.gz DMEFJUUGOSBYSQ-UHFFFAOYSA-N 1 2 332.787 3.370 20 30 EGEDLO O=C1C=C2C[N@H+](Cc3ccc(OC(F)(F)F)c(F)c3)CC[C@@H]2S1 ZINC001140886441 1378169463 /nfs/dbraw/zinc/16/94/63/1378169463.db2.gz YSZVLCWAAMMOFZ-ZDUSSCGKSA-N 1 2 347.333 3.498 20 30 EGEDLO O=C1C=C2C[N@@H+](Cc3ccc(OC(F)(F)F)c(F)c3)CC[C@@H]2S1 ZINC001140886441 1378169466 /nfs/dbraw/zinc/16/94/66/1378169466.db2.gz YSZVLCWAAMMOFZ-ZDUSSCGKSA-N 1 2 347.333 3.498 20 30 EGEDLO CCCc1noc(C2CC[NH+](Cc3ccc(F)cc3C#N)CC2)n1 ZINC001141167084 1378257734 /nfs/dbraw/zinc/25/77/34/1378257734.db2.gz YLDFFUCQRAMUGO-UHFFFAOYSA-N 1 2 328.391 3.412 20 30 EGEDLO N#Cc1cc(F)ccc1C[NH+]1CCC2(CC1)OC(=O)c1ccccc12 ZINC001141166441 1378257976 /nfs/dbraw/zinc/25/79/76/1378257976.db2.gz OGQCBNFMGAWKDT-UHFFFAOYSA-N 1 2 336.366 3.359 20 30 EGEDLO CC[N@H+](CCN(C)C(=O)OC(C)(C)C)Cc1ccc(F)cc1C#N ZINC001141167473 1378258127 /nfs/dbraw/zinc/25/81/27/1378258127.db2.gz LGMJCUBYTJRWEO-UHFFFAOYSA-N 1 2 335.423 3.386 20 30 EGEDLO CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)Cc1ccc(F)cc1C#N ZINC001141167473 1378258137 /nfs/dbraw/zinc/25/81/37/1378258137.db2.gz LGMJCUBYTJRWEO-UHFFFAOYSA-N 1 2 335.423 3.386 20 30 EGEDLO Cc1cc(C#N)ccc1C[NH+]1CC2(CCN2C(=O)[C@H]2C=CCC=C2C)C1 ZINC001279697048 1378318342 /nfs/dbraw/zinc/31/83/42/1378318342.db2.gz OKVFNGYLEFQMDN-FQEVSTJZSA-N 1 2 347.462 3.176 20 30 EGEDLO CSc1nc(C[NH+]2CCC(Oc3cccnc3)CC2)ccc1C#N ZINC001141939968 1378396526 /nfs/dbraw/zinc/39/65/26/1378396526.db2.gz YFXWFVWYCJEAIH-UHFFFAOYSA-N 1 2 340.452 3.114 20 30 EGEDLO COc1c(Br)ccc(F)c1C[NH+]1CCC(S)CC1 ZINC001142893385 1378506215 /nfs/dbraw/zinc/50/62/15/1378506215.db2.gz RZQAOMPRECMPTQ-UHFFFAOYSA-N 1 2 334.254 3.491 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)c1F ZINC001143169488 1378553227 /nfs/dbraw/zinc/55/32/27/1378553227.db2.gz HAOUCSGKRQOTSQ-UHFFFAOYSA-N 1 2 340.377 3.105 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCc3ncnc(C4CC4)c3CC2)c1F ZINC001143169488 1378553232 /nfs/dbraw/zinc/55/32/32/1378553232.db2.gz HAOUCSGKRQOTSQ-UHFFFAOYSA-N 1 2 340.377 3.105 20 30 EGEDLO COC(=O)CC[N@H+](Cc1ccccc1)Cc1c(F)ccc(C#N)c1F ZINC001143171095 1378553266 /nfs/dbraw/zinc/55/32/66/1378553266.db2.gz QPQXUZDDEZYNJC-UHFFFAOYSA-N 1 2 344.361 3.402 20 30 EGEDLO COC(=O)CC[N@@H+](Cc1ccccc1)Cc1c(F)ccc(C#N)c1F ZINC001143171095 1378553270 /nfs/dbraw/zinc/55/32/70/1378553270.db2.gz QPQXUZDDEZYNJC-UHFFFAOYSA-N 1 2 344.361 3.402 20 30 EGEDLO N#Cc1ccc(F)c(CN2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)c1F ZINC001143178571 1378554825 /nfs/dbraw/zinc/55/48/25/1378554825.db2.gz HXWLKHYBYUOTHR-OAHLLOKOSA-N 1 2 341.352 3.142 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2ccc(F)cc2Cl)C1 ZINC001282734345 1378584100 /nfs/dbraw/zinc/58/41/00/1378584100.db2.gz DHTUAGOFDUWGQU-NSHDSACASA-N 1 2 345.245 3.211 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C2(c3ccccc3F)CC2)C1 ZINC001282742050 1378593220 /nfs/dbraw/zinc/59/32/20/1378593220.db2.gz SDEJJBWAEWWENR-ZDUSSCGKSA-N 1 2 336.838 3.046 20 30 EGEDLO COc1c(F)cccc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC001143525188 1378609595 /nfs/dbraw/zinc/60/95/95/1378609595.db2.gz OGSKBBIVDXRHIB-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO COc1cccc(O[C@H]2CC[N@H+](Cc3c(Cl)cccc3C#N)C2)n1 ZINC001143732547 1378639640 /nfs/dbraw/zinc/63/96/40/1378639640.db2.gz ROXCTSFSGJLRCD-AWEZNQCLSA-N 1 2 343.814 3.269 20 30 EGEDLO COc1cccc(O[C@H]2CC[N@@H+](Cc3c(Cl)cccc3C#N)C2)n1 ZINC001143732547 1378639643 /nfs/dbraw/zinc/63/96/43/1378639643.db2.gz ROXCTSFSGJLRCD-AWEZNQCLSA-N 1 2 343.814 3.269 20 30 EGEDLO N#Cc1cncc(C[NH+]2CCN(c3cccc4sccc43)CC2)c1 ZINC001144084798 1378680738 /nfs/dbraw/zinc/68/07/38/1378680738.db2.gz NBMCWOXPQTZOEU-UHFFFAOYSA-N 1 2 334.448 3.490 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC2(C1)CC[N@@H+](Cc1csc(C)n1)C2 ZINC001147636409 1379053447 /nfs/dbraw/zinc/05/34/47/1379053447.db2.gz GUDUVGVHEJULGK-UHFFFAOYSA-N 1 2 345.512 3.254 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC2(C1)CC[N@H+](Cc1csc(C)n1)C2 ZINC001147636409 1379053452 /nfs/dbraw/zinc/05/34/52/1379053452.db2.gz GUDUVGVHEJULGK-UHFFFAOYSA-N 1 2 345.512 3.254 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1coc(C3CC3)n1)C2 ZINC001148095989 1379116696 /nfs/dbraw/zinc/11/66/96/1379116696.db2.gz SHOGFEGPZQGSRA-LSDHHAIUSA-N 1 2 343.471 3.045 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1coc(C3CC3)n1)C2 ZINC001148095989 1379116698 /nfs/dbraw/zinc/11/66/98/1379116698.db2.gz SHOGFEGPZQGSRA-LSDHHAIUSA-N 1 2 343.471 3.045 20 30 EGEDLO C=CCC1(C(=O)N2CC3(C2)CC[N@H+](Cc2ccon2)C3)CCCCC1 ZINC001148812302 1379273413 /nfs/dbraw/zinc/27/34/13/1379273413.db2.gz PLSOWSSVHDZRBJ-UHFFFAOYSA-N 1 2 343.471 3.236 20 30 EGEDLO C=CCC1(C(=O)N2CC3(C2)CC[N@@H+](Cc2ccon2)C3)CCCCC1 ZINC001148812302 1379273414 /nfs/dbraw/zinc/27/34/14/1379273414.db2.gz PLSOWSSVHDZRBJ-UHFFFAOYSA-N 1 2 343.471 3.236 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1C[N@H+](CC=C(Cl)Cl)CCCO1 ZINC001150165016 1379506402 /nfs/dbraw/zinc/50/64/02/1379506402.db2.gz FQIZLTDHSAPABR-KBPBESRZSA-N 1 2 349.302 3.115 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1C[N@@H+](CC=C(Cl)Cl)CCCO1 ZINC001150165016 1379506407 /nfs/dbraw/zinc/50/64/07/1379506407.db2.gz FQIZLTDHSAPABR-KBPBESRZSA-N 1 2 349.302 3.115 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001150363044 1379539497 /nfs/dbraw/zinc/53/94/97/1379539497.db2.gz JQRUTRMSYWEVEW-HOCLYGCPSA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001150363044 1379539498 /nfs/dbraw/zinc/53/94/98/1379539498.db2.gz JQRUTRMSYWEVEW-HOCLYGCPSA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@](C)(CC)CCC)C1 ZINC001150508829 1379559961 /nfs/dbraw/zinc/55/99/61/1379559961.db2.gz XBFHCUYPPYFOGX-WBVHZDCISA-N 1 2 330.900 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@](C)(CC)CCC)C1 ZINC001150508829 1379559962 /nfs/dbraw/zinc/55/99/62/1379559962.db2.gz XBFHCUYPPYFOGX-WBVHZDCISA-N 1 2 330.900 3.162 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C2(CC)CCCCC2)C1 ZINC001150770819 1379611520 /nfs/dbraw/zinc/61/15/20/1379611520.db2.gz HNOYKFHOSYONGG-INIZCTEOSA-N 1 2 342.911 3.307 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C2(CC)CCCCC2)C1 ZINC001150770819 1379611522 /nfs/dbraw/zinc/61/15/22/1379611522.db2.gz HNOYKFHOSYONGG-INIZCTEOSA-N 1 2 342.911 3.307 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1cccs1 ZINC001151663395 1379761002 /nfs/dbraw/zinc/76/10/02/1379761002.db2.gz IAYXQJTVXSVBRH-LLVKDONJSA-N 1 2 331.279 3.097 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1cccs1 ZINC001151663395 1379761001 /nfs/dbraw/zinc/76/10/01/1379761001.db2.gz IAYXQJTVXSVBRH-LLVKDONJSA-N 1 2 331.279 3.097 20 30 EGEDLO CCCCCCCC[C@@H](C)C(=O)NCC[NH2+]Cc1nncs1 ZINC001151848778 1379799124 /nfs/dbraw/zinc/79/91/24/1379799124.db2.gz QNFCOJGTJULXRN-CQSZACIVSA-N 1 2 326.510 3.131 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1cscc1C ZINC001152642032 1379962122 /nfs/dbraw/zinc/96/21/22/1379962122.db2.gz YNAGWIRBAASLTN-GFCCVEGCSA-N 1 2 345.306 3.405 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1cscc1C ZINC001152642032 1379962125 /nfs/dbraw/zinc/96/21/25/1379962125.db2.gz YNAGWIRBAASLTN-GFCCVEGCSA-N 1 2 345.306 3.405 20 30 EGEDLO CCCc1nc(C[N@H+](CC)[C@H](C)CNC(=O)C#CC(C)(C)C)cs1 ZINC001153281090 1380048576 /nfs/dbraw/zinc/04/85/76/1380048576.db2.gz CRJZREDMZMKWJG-OAHLLOKOSA-N 1 2 349.544 3.472 20 30 EGEDLO CCCc1nc(C[N@@H+](CC)[C@H](C)CNC(=O)C#CC(C)(C)C)cs1 ZINC001153281090 1380048581 /nfs/dbraw/zinc/04/85/81/1380048581.db2.gz CRJZREDMZMKWJG-OAHLLOKOSA-N 1 2 349.544 3.472 20 30 EGEDLO O=C(c1cccc2[nH+]ccn21)N1CCC(C#Cc2ccccc2)CC1 ZINC001154521278 1380296742 /nfs/dbraw/zinc/29/67/42/1380296742.db2.gz BARMCFDEOBOUSZ-UHFFFAOYSA-N 1 2 329.403 3.238 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)CC(C)C)C(C)(C)C1 ZINC001328059766 1388656073 /nfs/dbraw/zinc/65/60/73/1388656073.db2.gz GQTYECWEWDLLHV-CYBMUJFWSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)CC(C)C)C(C)(C)C1 ZINC001328059766 1388656075 /nfs/dbraw/zinc/65/60/75/1388656075.db2.gz GQTYECWEWDLLHV-CYBMUJFWSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C2CC2)o1 ZINC001154742268 1380343999 /nfs/dbraw/zinc/34/39/99/1380343999.db2.gz BDGXISABWDLJQW-HUUCEWRRSA-N 1 2 333.476 3.481 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C2CC2)o1 ZINC001154742268 1380344000 /nfs/dbraw/zinc/34/40/00/1380344000.db2.gz BDGXISABWDLJQW-HUUCEWRRSA-N 1 2 333.476 3.481 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)[N@H+](CC)CC(=C)Br)CCC1 ZINC001155061959 1380400893 /nfs/dbraw/zinc/40/08/93/1380400893.db2.gz OLPLVNXDMZSYRD-CQSZACIVSA-N 1 2 343.309 3.468 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)Br)CCC1 ZINC001155061959 1380400894 /nfs/dbraw/zinc/40/08/94/1380400894.db2.gz OLPLVNXDMZSYRD-CQSZACIVSA-N 1 2 343.309 3.468 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C1(C(C)C)CC1 ZINC001155141672 1380415869 /nfs/dbraw/zinc/41/58/69/1380415869.db2.gz JOTLXLVDTXVXNV-CYBMUJFWSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C1(C(C)C)CC1 ZINC001155141672 1380415870 /nfs/dbraw/zinc/41/58/70/1380415870.db2.gz JOTLXLVDTXVXNV-CYBMUJFWSA-N 1 2 331.298 3.158 20 30 EGEDLO CCC[C@H](COC)N(CCC(=O)OCC)c1[nH+]c(C)ccc1CC#N ZINC001156309684 1380555920 /nfs/dbraw/zinc/55/59/20/1380555920.db2.gz LKMLHYPTNMWMSD-QGZVFWFLSA-N 1 2 347.459 3.031 20 30 EGEDLO C=CCOc1ccccc1[C@H](C)NC(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156978634 1380742071 /nfs/dbraw/zinc/74/20/71/1380742071.db2.gz AFXFWFAETABXPJ-LBPRGKRZSA-N 1 2 336.395 3.201 20 30 EGEDLO COC(=O)Cc1ccc(CNc2[nH+]ccc3ccc(C#N)cc32)cc1 ZINC001157765527 1381027499 /nfs/dbraw/zinc/02/74/99/1381027499.db2.gz UIZHWJQFDRJRBU-UHFFFAOYSA-N 1 2 331.375 3.434 20 30 EGEDLO N#Cc1ccc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)nc1 ZINC001158545206 1381292615 /nfs/dbraw/zinc/29/26/15/1381292615.db2.gz HFGVVOJXPWRAEA-INIZCTEOSA-N 1 2 346.356 3.206 20 30 EGEDLO N#Cc1ccc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)nc1 ZINC001158545206 1381292618 /nfs/dbraw/zinc/29/26/18/1381292618.db2.gz HFGVVOJXPWRAEA-INIZCTEOSA-N 1 2 346.356 3.206 20 30 EGEDLO C=CCCCNc1cc(N2CCN(c3ccccc3F)CC2)nc[nH+]1 ZINC001159262615 1381747134 /nfs/dbraw/zinc/74/71/34/1381747134.db2.gz RMASFPFIDOFIRP-UHFFFAOYSA-N 1 2 341.434 3.320 20 30 EGEDLO C=CCCCNc1cc(N2CCN(c3ccccc3F)CC2)[nH+]cn1 ZINC001159262615 1381747137 /nfs/dbraw/zinc/74/71/37/1381747137.db2.gz RMASFPFIDOFIRP-UHFFFAOYSA-N 1 2 341.434 3.320 20 30 EGEDLO C=CCCC(=O)NCCC1=CC[N@H+](Cc2ccn(C(C)C)n2)CC1 ZINC001159544686 1381824157 /nfs/dbraw/zinc/82/41/57/1381824157.db2.gz YWTHEDFMTFLQLS-UHFFFAOYSA-N 1 2 330.476 3.069 20 30 EGEDLO C=CCCC(=O)NCCC1=CC[N@@H+](Cc2ccn(C(C)C)n2)CC1 ZINC001159544686 1381824163 /nfs/dbraw/zinc/82/41/63/1381824163.db2.gz YWTHEDFMTFLQLS-UHFFFAOYSA-N 1 2 330.476 3.069 20 30 EGEDLO C#CCCCCC(=O)NCCC1=CC[N@H+](Cc2csc(C)n2)CC1 ZINC001159859716 1381923271 /nfs/dbraw/zinc/92/32/71/1381923271.db2.gz XJQUKEQLNBYNFJ-UHFFFAOYSA-N 1 2 345.512 3.284 20 30 EGEDLO C#CCCCCC(=O)NCCC1=CC[N@@H+](Cc2csc(C)n2)CC1 ZINC001159859716 1381923273 /nfs/dbraw/zinc/92/32/73/1381923273.db2.gz XJQUKEQLNBYNFJ-UHFFFAOYSA-N 1 2 345.512 3.284 20 30 EGEDLO C=C(C)CCC(=O)NCCC1=CC[N@H+](Cc2ncc(CC)o2)CC1 ZINC001160269102 1382056398 /nfs/dbraw/zinc/05/63/98/1382056398.db2.gz QMRAHTDNSKMDEE-UHFFFAOYSA-N 1 2 331.460 3.232 20 30 EGEDLO C=C(C)CCC(=O)NCCC1=CC[N@@H+](Cc2ncc(CC)o2)CC1 ZINC001160269102 1382056403 /nfs/dbraw/zinc/05/64/03/1382056403.db2.gz QMRAHTDNSKMDEE-UHFFFAOYSA-N 1 2 331.460 3.232 20 30 EGEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CC2(C#N)CCCCC2)C1 ZINC001328584534 1388781376 /nfs/dbraw/zinc/78/13/76/1388781376.db2.gz QKTWPFVEUMAUNJ-MRXNPFEDSA-N 1 2 328.460 3.065 20 30 EGEDLO COc1ccccc1[C@@H](Nc1cc(CC#N)cc[nH+]1)c1nnc(C)o1 ZINC001162772600 1382867641 /nfs/dbraw/zinc/86/76/41/1382867641.db2.gz JPPDNCUFRZXGCF-QGZVFWFLSA-N 1 2 335.367 3.049 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCC[NH2+]Cc1noc(C2CCCCC2)n1 ZINC001164223938 1383168027 /nfs/dbraw/zinc/16/80/27/1383168027.db2.gz YIWWFHAATWGSPH-LSDHHAIUSA-N 1 2 348.491 3.171 20 30 EGEDLO N#Cc1cc(C(F)(F)N2CCC(n3cc[nH+]c3)CC2)cc(Cl)n1 ZINC001165159388 1383239423 /nfs/dbraw/zinc/23/94/23/1383239423.db2.gz MEUXRZNYARDPOD-UHFFFAOYSA-N 1 2 337.761 3.190 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1(C[NH2+]Cc2noc(CCC)n2)CC1 ZINC001165215135 1383250348 /nfs/dbraw/zinc/25/03/48/1383250348.db2.gz HOGWHNUWFRRERC-UHFFFAOYSA-N 1 2 348.491 3.001 20 30 EGEDLO C=CCOCc1nn(C)c2c1CN(c1cc3ccccc3c[nH+]1)CC2 ZINC001165787485 1383344514 /nfs/dbraw/zinc/34/45/14/1383344514.db2.gz LUGSJPKJKOUEBJ-UHFFFAOYSA-N 1 2 334.423 3.234 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCCC1(C[NH2+]Cc2noc(C(C)C)n2)CC1 ZINC001166695599 1383462226 /nfs/dbraw/zinc/46/22/26/1383462226.db2.gz SEURJLTWFKMFPN-GJZGRUSLSA-N 1 2 348.491 3.027 20 30 EGEDLO C=CCCCC(=O)NCCC1(C[NH2+]Cc2noc(CC(C)C)n2)CC1 ZINC001166935450 1383501853 /nfs/dbraw/zinc/50/18/53/1383501853.db2.gz SLYVUUJBGBCWIR-UHFFFAOYSA-N 1 2 348.491 3.001 20 30 EGEDLO Cc1ccnc(C#N)c1NCCSCc1csc(C[NH+](C)C)n1 ZINC001168110645 1383819231 /nfs/dbraw/zinc/81/92/31/1383819231.db2.gz CWZNNDQHPSMUMJ-UHFFFAOYSA-N 1 2 347.513 3.125 20 30 EGEDLO C[C@H](CCCC[NH2+]CCC(F)(F)F)NC(=O)C(F)C(F)(F)F ZINC001170906730 1384408890 /nfs/dbraw/zinc/40/88/90/1384408890.db2.gz CPGDKUSLBYUXFI-RKDXNWHRSA-N 1 2 340.283 3.104 20 30 EGEDLO C[C@H](CCCC[NH2+]CCC(F)(F)F)NC(=O)[C@@H](F)C(F)(F)F ZINC001170906730 1384408892 /nfs/dbraw/zinc/40/88/92/1384408892.db2.gz CPGDKUSLBYUXFI-RKDXNWHRSA-N 1 2 340.283 3.104 20 30 EGEDLO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC001171224021 1384473225 /nfs/dbraw/zinc/47/32/25/1384473225.db2.gz ORSBNLULJKTVJP-OAHLLOKOSA-N 1 2 339.464 3.009 20 30 EGEDLO CC[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@@H](CC)O1 ZINC001171320614 1384493929 /nfs/dbraw/zinc/49/39/29/1384493929.db2.gz MMYFYGNPRBNTNF-KZIZELGASA-N 1 2 349.519 3.195 20 30 EGEDLO C[C@@H](C#N)C(=O)N(C)C1CC[NH+]([C@@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC001316932293 1384703167 /nfs/dbraw/zinc/70/31/67/1384703167.db2.gz WTXVMZJLDIPIQD-KBPBESRZSA-N 1 2 346.475 3.116 20 30 EGEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1Cc2nnc(C(F)(F)F)n2[C@H](C)C1 ZINC001172312567 1384766952 /nfs/dbraw/zinc/76/69/52/1384766952.db2.gz GZMFEIAGRGRZAF-NWDGAFQWSA-N 1 2 349.360 3.176 20 30 EGEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1Cc2nnc(C(F)(F)F)n2[C@H](C)C1 ZINC001172312567 1384766956 /nfs/dbraw/zinc/76/69/56/1384766956.db2.gz GZMFEIAGRGRZAF-NWDGAFQWSA-N 1 2 349.360 3.176 20 30 EGEDLO C=CCOC(=O)[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001172368017 1384778535 /nfs/dbraw/zinc/77/85/35/1384778535.db2.gz HUKAPXJOQXZSJH-JONQDZQNSA-N 1 2 339.476 3.230 20 30 EGEDLO C=CCOC1CCC([N@H+]2CCn3c(COCC)cnc3[C@H]2C)CC1 ZINC001173321853 1384958561 /nfs/dbraw/zinc/95/85/61/1384958561.db2.gz UQILZFDYUVXSAE-KLHKWILBSA-N 1 2 333.476 3.310 20 30 EGEDLO C=CCOC1CCC([N@@H+]2CCn3c(COCC)cnc3[C@H]2C)CC1 ZINC001173321853 1384958565 /nfs/dbraw/zinc/95/85/65/1384958565.db2.gz UQILZFDYUVXSAE-KLHKWILBSA-N 1 2 333.476 3.310 20 30 EGEDLO C[N@@H+]1CCc2c(C#N)c(Nc3ccc4occc(=O)c4c3)sc2C1 ZINC001174939679 1385172426 /nfs/dbraw/zinc/17/24/26/1385172426.db2.gz PYUOATUPQYGKJI-UHFFFAOYSA-N 1 2 337.404 3.458 20 30 EGEDLO C[N@H+]1CCc2c(C#N)c(Nc3ccc4occc(=O)c4c3)sc2C1 ZINC001174939679 1385172434 /nfs/dbraw/zinc/17/24/34/1385172434.db2.gz PYUOATUPQYGKJI-UHFFFAOYSA-N 1 2 337.404 3.458 20 30 EGEDLO N#Cc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)c(Br)n1 ZINC001175345689 1385259462 /nfs/dbraw/zinc/25/94/62/1385259462.db2.gz CZFGONZATIGZOP-UHFFFAOYSA-N 1 2 344.216 3.455 20 30 EGEDLO N#Cc1ccc(C[N@H+](CCNC(=O)c2ccccc2)C2CC2)c(F)c1 ZINC001317544135 1385287437 /nfs/dbraw/zinc/28/74/37/1385287437.db2.gz AACHTHODCLFVPV-UHFFFAOYSA-N 1 2 337.398 3.092 20 30 EGEDLO N#Cc1ccc(C[N@@H+](CCNC(=O)c2ccccc2)C2CC2)c(F)c1 ZINC001317544135 1385287442 /nfs/dbraw/zinc/28/74/42/1385287442.db2.gz AACHTHODCLFVPV-UHFFFAOYSA-N 1 2 337.398 3.092 20 30 EGEDLO Cc1ccccc1C(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1 ZINC001317544513 1385288213 /nfs/dbraw/zinc/28/82/13/1385288213.db2.gz IAUASKXGJXDJNU-UHFFFAOYSA-N 1 2 333.435 3.261 20 30 EGEDLO Cc1ccccc1C(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1 ZINC001317544513 1385288217 /nfs/dbraw/zinc/28/82/17/1385288217.db2.gz IAUASKXGJXDJNU-UHFFFAOYSA-N 1 2 333.435 3.261 20 30 EGEDLO C[C@@H](C#N)C(=O)NCC[N@H+](Cc1ccc(Cl)cc1Cl)C1CC1 ZINC001317549141 1385304121 /nfs/dbraw/zinc/30/41/21/1385304121.db2.gz LHPPDOVMIRAEGL-NSHDSACASA-N 1 2 340.254 3.234 20 30 EGEDLO C[C@@H](C#N)C(=O)NCC[N@@H+](Cc1ccc(Cl)cc1Cl)C1CC1 ZINC001317549141 1385304124 /nfs/dbraw/zinc/30/41/24/1385304124.db2.gz LHPPDOVMIRAEGL-NSHDSACASA-N 1 2 340.254 3.234 20 30 EGEDLO C=CCn1c(C)cc(C(=O)COC(=O)[C@H]2CCCC[N@H+]2CCC)c1C ZINC001319040922 1385943178 /nfs/dbraw/zinc/94/31/78/1385943178.db2.gz GYRZAVHJEDBAEY-GOSISDBHSA-N 1 2 346.471 3.281 20 30 EGEDLO C=CCn1c(C)cc(C(=O)COC(=O)[C@H]2CCCC[N@@H+]2CCC)c1C ZINC001319040922 1385943182 /nfs/dbraw/zinc/94/31/82/1385943182.db2.gz GYRZAVHJEDBAEY-GOSISDBHSA-N 1 2 346.471 3.281 20 30 EGEDLO N#CCc1cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccco2)ccc1F ZINC001177626662 1386010782 /nfs/dbraw/zinc/01/07/82/1386010782.db2.gz BXRLXFNAVNDMDR-KRWDZBQOSA-N 1 2 327.359 3.088 20 30 EGEDLO N#CCc1cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccco2)ccc1F ZINC001177626662 1386010785 /nfs/dbraw/zinc/01/07/85/1386010785.db2.gz BXRLXFNAVNDMDR-KRWDZBQOSA-N 1 2 327.359 3.088 20 30 EGEDLO C[Si](C)(C)C#Cc1cccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC001178118173 1386134794 /nfs/dbraw/zinc/13/47/94/1386134794.db2.gz QQKNHKWZUPHFEL-INIZCTEOSA-N 1 2 337.499 3.313 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)Cc2csc3ccc(Cl)cc23)CC1 ZINC001181425123 1386991808 /nfs/dbraw/zinc/99/18/08/1386991808.db2.gz LMQIFPBIVXRFSQ-UHFFFAOYSA-N 1 2 334.872 3.427 20 30 EGEDLO C[N@H+](Cc1ccccc1)[C@H](C(=O)Nc1c[nH]nc1C#N)c1ccccc1 ZINC001182236105 1387128962 /nfs/dbraw/zinc/12/89/62/1387128962.db2.gz HVZVQRYRLSKVCZ-IBGZPJMESA-N 1 2 345.406 3.093 20 30 EGEDLO C[N@@H+](Cc1ccccc1)[C@H](C(=O)Nc1c[nH]nc1C#N)c1ccccc1 ZINC001182236105 1387128965 /nfs/dbraw/zinc/12/89/65/1387128965.db2.gz HVZVQRYRLSKVCZ-IBGZPJMESA-N 1 2 345.406 3.093 20 30 EGEDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)CCc1cccc(C#N)c1 ZINC001182340345 1387152631 /nfs/dbraw/zinc/15/26/31/1387152631.db2.gz KWILYKUECICQDC-UHFFFAOYSA-N 1 2 344.418 3.335 20 30 EGEDLO N#Cc1cc(C(=O)N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)cs1 ZINC001336052619 1389000746 /nfs/dbraw/zinc/00/07/46/1389000746.db2.gz DHUNJPJCYXKVLI-HNNXBMFYSA-N 1 2 331.828 3.060 20 30 EGEDLO N#Cc1cc(F)cc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)c1 ZINC001329602386 1389178687 /nfs/dbraw/zinc/17/86/87/1389178687.db2.gz KPLRECUXQVFLBS-GOSISDBHSA-N 1 2 338.386 3.086 20 30 EGEDLO N#Cc1cc(F)cc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)c1 ZINC001329602386 1389178688 /nfs/dbraw/zinc/17/86/88/1389178688.db2.gz KPLRECUXQVFLBS-GOSISDBHSA-N 1 2 338.386 3.086 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2nc(C(C)C)no2)CCC1 ZINC001698732322 1406382067 /nfs/dbraw/zinc/38/20/67/1406382067.db2.gz DIZFJODDDJQWJU-OAHLLOKOSA-N 1 2 346.475 3.020 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001338749831 1389751624 /nfs/dbraw/zinc/75/16/24/1389751624.db2.gz SMUKNOVGTRWCKI-JKSUJKDBSA-N 1 2 331.508 3.493 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001338749831 1389751631 /nfs/dbraw/zinc/75/16/31/1389751631.db2.gz SMUKNOVGTRWCKI-JKSUJKDBSA-N 1 2 331.508 3.493 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N(C)OC ZINC001340427849 1390287288 /nfs/dbraw/zinc/28/72/88/1390287288.db2.gz LYZQMAVWAREEPT-KRWDZBQOSA-N 1 2 341.459 3.189 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N(C)OC ZINC001340427849 1390287290 /nfs/dbraw/zinc/28/72/90/1390287290.db2.gz LYZQMAVWAREEPT-KRWDZBQOSA-N 1 2 341.459 3.189 20 30 EGEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(CC)[C@@H](C)CC ZINC001342355272 1390604553 /nfs/dbraw/zinc/60/45/53/1390604553.db2.gz ONVXJOMOGYXMTK-DLBZAZTESA-N 1 2 349.523 3.261 20 30 EGEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(CC)[C@@H](C)CC ZINC001342355272 1390604555 /nfs/dbraw/zinc/60/45/55/1390604555.db2.gz ONVXJOMOGYXMTK-DLBZAZTESA-N 1 2 349.523 3.261 20 30 EGEDLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc21 ZINC001342716892 1390644990 /nfs/dbraw/zinc/64/49/90/1390644990.db2.gz JOMRUONIKCNUNP-PKOBYXMFSA-N 1 2 349.434 3.360 20 30 EGEDLO CC(C)[N@H+]1CCC[C@@H]1C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc21 ZINC001342716892 1390644992 /nfs/dbraw/zinc/64/49/92/1390644992.db2.gz JOMRUONIKCNUNP-PKOBYXMFSA-N 1 2 349.434 3.360 20 30 EGEDLO N#CCC[C@H](C#N)C[NH2+][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC001335366238 1390676289 /nfs/dbraw/zinc/67/62/89/1390676289.db2.gz LUVBCBGGMKPMSG-QUCCMNQESA-N 1 2 346.434 3.270 20 30 EGEDLO C#CCN(CC)c1nnc([C@H]2CCCC[N@@H+]2C)n1Cc1cccs1 ZINC001343635433 1390727942 /nfs/dbraw/zinc/72/79/42/1390727942.db2.gz KEFMMXKDCCODOJ-MRXNPFEDSA-N 1 2 343.500 3.004 20 30 EGEDLO C#CCN(CC)c1nnc([C@H]2CCCC[N@H+]2C)n1Cc1cccs1 ZINC001343635433 1390727944 /nfs/dbraw/zinc/72/79/44/1390727944.db2.gz KEFMMXKDCCODOJ-MRXNPFEDSA-N 1 2 343.500 3.004 20 30 EGEDLO C=CC1CCN(c2nnc([C@@H]3CCCC[N@H+]3C)n2CC(=C)C)CC1 ZINC001343927824 1390744790 /nfs/dbraw/zinc/74/47/90/1390744790.db2.gz LCZDEJMAMZJFAC-KRWDZBQOSA-N 1 2 329.492 3.413 20 30 EGEDLO C=CC1CCN(c2nnc([C@@H]3CCCC[N@@H+]3C)n2CC(=C)C)CC1 ZINC001343927824 1390744792 /nfs/dbraw/zinc/74/47/92/1390744792.db2.gz LCZDEJMAMZJFAC-KRWDZBQOSA-N 1 2 329.492 3.413 20 30 EGEDLO C=CC1CCN(c2nnc(C[NH+]3CCCCC3)n2CC2CC2)CC1 ZINC001346038111 1390902431 /nfs/dbraw/zinc/90/24/31/1390902431.db2.gz DHZRMIVLVDSDPS-UHFFFAOYSA-N 1 2 329.492 3.076 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)Cc1cccs1 ZINC001346176980 1390913212 /nfs/dbraw/zinc/91/32/12/1390913212.db2.gz JEIADHKCTUYKHE-OAHLLOKOSA-N 1 2 331.489 3.319 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N(C)Cc1cccs1 ZINC001346176980 1390913214 /nfs/dbraw/zinc/91/32/14/1390913214.db2.gz JEIADHKCTUYKHE-OAHLLOKOSA-N 1 2 331.489 3.319 20 30 EGEDLO CCCN(CC)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC1CC1 ZINC001346602499 1390960019 /nfs/dbraw/zinc/96/00/19/1390960019.db2.gz NQDJJHLFFAMYBQ-UHFFFAOYSA-N 1 2 344.507 3.017 20 30 EGEDLO C=CCC[C@H]1CCCN1c1nnc([C@@H]2CCC[N@H+]2C)n1CC1CC1 ZINC001347967404 1391151905 /nfs/dbraw/zinc/15/19/05/1391151905.db2.gz VEMGDLSVAYEDFL-IRXDYDNUSA-N 1 2 329.492 3.390 20 30 EGEDLO C=CCC[C@H]1CCCN1c1nnc([C@@H]2CCC[N@@H+]2C)n1CC1CC1 ZINC001347967404 1391151907 /nfs/dbraw/zinc/15/19/07/1391151907.db2.gz VEMGDLSVAYEDFL-IRXDYDNUSA-N 1 2 329.492 3.390 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)COC1CCCCC1 ZINC001480320466 1392680804 /nfs/dbraw/zinc/68/08/04/1392680804.db2.gz VKIDSIPUPNUTHQ-HNNXBMFYSA-N 1 2 328.884 3.059 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)COC1CCCCC1 ZINC001480320466 1392680805 /nfs/dbraw/zinc/68/08/05/1392680805.db2.gz VKIDSIPUPNUTHQ-HNNXBMFYSA-N 1 2 328.884 3.059 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)CCC1(C)CC1 ZINC001481061699 1393110457 /nfs/dbraw/zinc/11/04/57/1393110457.db2.gz CKFJQXLVSUIVLK-ZDUSSCGKSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)CCC1(C)CC1 ZINC001481061699 1393110458 /nfs/dbraw/zinc/11/04/58/1393110458.db2.gz CKFJQXLVSUIVLK-ZDUSSCGKSA-N 1 2 329.282 3.056 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](NC(=O)CCCC3CC3)C2)c1 ZINC001481536698 1394396201 /nfs/dbraw/zinc/39/62/01/1394396201.db2.gz KAZYFQPXKADMAN-SFHVURJKSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](NC(=O)CCCC3CC3)C2)c1 ZINC001481536698 1394396208 /nfs/dbraw/zinc/39/62/08/1394396208.db2.gz KAZYFQPXKADMAN-SFHVURJKSA-N 1 2 343.446 3.358 20 30 EGEDLO CCC[C@H](C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1)C(C)C ZINC001481647152 1394430904 /nfs/dbraw/zinc/43/09/04/1394430904.db2.gz BJJVOFYDWIICAP-IBGZPJMESA-N 1 2 327.472 3.179 20 30 EGEDLO CCCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001481677216 1394443507 /nfs/dbraw/zinc/44/35/07/1394443507.db2.gz YKGMWYQPLCTZEQ-ROUUACIJSA-N 1 2 325.456 3.170 20 30 EGEDLO CCCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001481677216 1394443509 /nfs/dbraw/zinc/44/35/09/1394443509.db2.gz YKGMWYQPLCTZEQ-ROUUACIJSA-N 1 2 325.456 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)Cc2ccc(Cl)s2)C1 ZINC001484060969 1395224254 /nfs/dbraw/zinc/22/42/54/1395224254.db2.gz NMEQJYJDVNPHRA-AWEZNQCLSA-N 1 2 333.284 3.277 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)Cc2ccc(Cl)s2)C1 ZINC001484060969 1395224257 /nfs/dbraw/zinc/22/42/57/1395224257.db2.gz NMEQJYJDVNPHRA-AWEZNQCLSA-N 1 2 333.284 3.277 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cccc(-c2cnco2)c1 ZINC001485369389 1395846559 /nfs/dbraw/zinc/84/65/59/1395846559.db2.gz VZNVPCZGVNQEPC-CYBMUJFWSA-N 1 2 333.819 3.144 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cccc(-c2cnco2)c1 ZINC001485369389 1395846566 /nfs/dbraw/zinc/84/65/66/1395846566.db2.gz VZNVPCZGVNQEPC-CYBMUJFWSA-N 1 2 333.819 3.144 20 30 EGEDLO CCC[C@H](CC)C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001494606111 1396485992 /nfs/dbraw/zinc/48/59/92/1396485992.db2.gz GWGCCSVMGYULTI-INIZCTEOSA-N 1 2 331.435 3.072 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)COc2ccccc2Cl)C1 ZINC001690050481 1404282991 /nfs/dbraw/zinc/28/29/91/1404282991.db2.gz KUJJZDFEUWKOJL-CYBMUJFWSA-N 1 2 343.254 3.052 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)COc2ccccc2Cl)C1 ZINC001690050481 1404282995 /nfs/dbraw/zinc/28/29/95/1404282995.db2.gz KUJJZDFEUWKOJL-CYBMUJFWSA-N 1 2 343.254 3.052 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc(F)cc1F ZINC001690448965 1404573439 /nfs/dbraw/zinc/57/34/39/1404573439.db2.gz VLQHOMSKUSAHFC-OAHLLOKOSA-N 1 2 342.817 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc(F)cc1F ZINC001690448965 1404573442 /nfs/dbraw/zinc/57/34/42/1404573442.db2.gz VLQHOMSKUSAHFC-OAHLLOKOSA-N 1 2 342.817 3.231 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CCc2nc(C)cs2)C1 ZINC001732188258 1428438854 /nfs/dbraw/zinc/43/88/54/1428438854.db2.gz XRULMKKKMSZRFH-CQSZACIVSA-N 1 2 341.908 3.059 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCc2nc(C)cs2)C1 ZINC001732188258 1428438857 /nfs/dbraw/zinc/43/88/57/1428438857.db2.gz XRULMKKKMSZRFH-CQSZACIVSA-N 1 2 341.908 3.059 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1coc2cc(F)ccc12 ZINC001700464644 1414069105 /nfs/dbraw/zinc/06/91/05/1414069105.db2.gz VHLYGGDISKERRH-GFCCVEGCSA-N 1 2 338.810 3.303 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1coc2cc(F)ccc12 ZINC001700464644 1414069107 /nfs/dbraw/zinc/06/91/07/1414069107.db2.gz VHLYGGDISKERRH-GFCCVEGCSA-N 1 2 338.810 3.303 20 30 EGEDLO C[N@H+](CCNC(=O)c1ccccc1Cl)Cc1ccc(C#N)cc1F ZINC001713474156 1418150176 /nfs/dbraw/zinc/15/01/76/1418150176.db2.gz LAAGZONUVLJUIP-UHFFFAOYSA-N 1 2 345.805 3.213 20 30 EGEDLO C[N@@H+](CCNC(=O)c1ccccc1Cl)Cc1ccc(C#N)cc1F ZINC001713474156 1418150180 /nfs/dbraw/zinc/15/01/80/1418150180.db2.gz LAAGZONUVLJUIP-UHFFFAOYSA-N 1 2 345.805 3.213 20 30 EGEDLO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1CC(C)(C)C)Cc1ccc(C#N)cc1F ZINC001714544507 1419270669 /nfs/dbraw/zinc/27/06/69/1419270669.db2.gz XDQKOLOOXSRNRH-DLBZAZTESA-N 1 2 345.462 3.318 20 30 EGEDLO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1CC(C)(C)C)Cc1ccc(C#N)cc1F ZINC001714544507 1419270671 /nfs/dbraw/zinc/27/06/71/1419270671.db2.gz XDQKOLOOXSRNRH-DLBZAZTESA-N 1 2 345.462 3.318 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2CNC(=O)C2(F)CCCC2)c1 ZINC001714615232 1419376875 /nfs/dbraw/zinc/37/68/75/1419376875.db2.gz LGSLFXJKZHKYFR-INIZCTEOSA-N 1 2 347.409 3.060 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2CNC(=O)C2(F)CCCC2)c1 ZINC001714615232 1419376877 /nfs/dbraw/zinc/37/68/77/1419376877.db2.gz LGSLFXJKZHKYFR-INIZCTEOSA-N 1 2 347.409 3.060 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccc2cccnc2c1)C1CC1 ZINC001714672129 1419462830 /nfs/dbraw/zinc/46/28/30/1419462830.db2.gz HABUIQBRVYYREV-UHFFFAOYSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccc2cccnc2c1)C1CC1 ZINC001714672129 1419462832 /nfs/dbraw/zinc/46/28/32/1419462832.db2.gz HABUIQBRVYYREV-UHFFFAOYSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C2(CCC)CC2)C1 ZINC001715023432 1419755336 /nfs/dbraw/zinc/75/53/36/1419755336.db2.gz NDZZQAJPBCODNW-ZDUSSCGKSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C2(CCC)CC2)C1 ZINC001715023432 1419755332 /nfs/dbraw/zinc/75/53/32/1419755332.db2.gz NDZZQAJPBCODNW-ZDUSSCGKSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1c(Cl)cncc1Cl ZINC001715529427 1420219399 /nfs/dbraw/zinc/21/93/99/1420219399.db2.gz IFGALISKGNAMMZ-UHFFFAOYSA-N 1 2 336.650 3.145 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1c(Cl)cncc1Cl ZINC001715529427 1420219401 /nfs/dbraw/zinc/21/94/01/1420219401.db2.gz IFGALISKGNAMMZ-UHFFFAOYSA-N 1 2 336.650 3.145 20 30 EGEDLO C[C@H](C#N)C(=O)N(C)CC[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC001715779665 1420340986 /nfs/dbraw/zinc/34/09/86/1420340986.db2.gz LOWQGJRIQIKNMB-LLVKDONJSA-N 1 2 328.243 3.043 20 30 EGEDLO C[C@H](C#N)C(=O)N(C)CC[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC001715779665 1420340989 /nfs/dbraw/zinc/34/09/89/1420340989.db2.gz LOWQGJRIQIKNMB-LLVKDONJSA-N 1 2 328.243 3.043 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1ccc(F)c(Cl)c1 ZINC001716046259 1420510333 /nfs/dbraw/zinc/51/03/33/1420510333.db2.gz VAMHALWUGZTVPY-NSHDSACASA-N 1 2 333.234 3.211 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1ccc(F)c(Cl)c1 ZINC001716046259 1420510336 /nfs/dbraw/zinc/51/03/36/1420510336.db2.gz VAMHALWUGZTVPY-NSHDSACASA-N 1 2 333.234 3.211 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccccc1OC1CCC1 ZINC001716496429 1420720710 /nfs/dbraw/zinc/72/07/10/1420720710.db2.gz VCIOFZFQHHZNQG-AWEZNQCLSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccccc1OC1CCC1 ZINC001716496429 1420720713 /nfs/dbraw/zinc/72/07/13/1420720713.db2.gz VCIOFZFQHHZNQG-AWEZNQCLSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1csc(-c2ccoc2)n1 ZINC001716499586 1420725268 /nfs/dbraw/zinc/72/52/68/1420725268.db2.gz KEQNUMFPMREJEU-LLVKDONJSA-N 1 2 339.848 3.206 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1csc(-c2ccoc2)n1 ZINC001716499586 1420725269 /nfs/dbraw/zinc/72/52/69/1420725269.db2.gz KEQNUMFPMREJEU-LLVKDONJSA-N 1 2 339.848 3.206 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1cccc(Cl)c1F ZINC001717490235 1421428342 /nfs/dbraw/zinc/42/83/42/1421428342.db2.gz IRGAKXXWGZDRGY-LLVKDONJSA-N 1 2 333.234 3.211 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1cccc(Cl)c1F ZINC001717490235 1421428343 /nfs/dbraw/zinc/42/83/43/1421428343.db2.gz IRGAKXXWGZDRGY-LLVKDONJSA-N 1 2 333.234 3.211 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)CCc2cccs2)s1 ZINC001723483754 1424435249 /nfs/dbraw/zinc/43/52/49/1424435249.db2.gz SZEPXFRQOHDWJA-CYBMUJFWSA-N 1 2 345.493 3.005 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)CCc2cccs2)s1 ZINC001723483754 1424435250 /nfs/dbraw/zinc/43/52/50/1424435250.db2.gz SZEPXFRQOHDWJA-CYBMUJFWSA-N 1 2 345.493 3.005 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)C[C@@H](C)C1CC1 ZINC001724861424 1425243463 /nfs/dbraw/zinc/24/34/63/1425243463.db2.gz VRNRAHQDDFMWHG-GFCCVEGCSA-N 1 2 331.298 3.112 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)C[C@@H](C)C1CC1 ZINC001724861424 1425243466 /nfs/dbraw/zinc/24/34/66/1425243466.db2.gz VRNRAHQDDFMWHG-GFCCVEGCSA-N 1 2 331.298 3.112 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)COc1cccc(C(C)C)c1 ZINC001725163700 1425665190 /nfs/dbraw/zinc/66/51/90/1425665190.db2.gz KFHFZCNPOJHXDK-HNNXBMFYSA-N 1 2 338.879 3.378 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)COc1cccc(C(C)C)c1 ZINC001725163700 1425665197 /nfs/dbraw/zinc/66/51/97/1425665197.db2.gz KFHFZCNPOJHXDK-HNNXBMFYSA-N 1 2 338.879 3.378 20 30 EGEDLO CCC(CC)C(=O)N[C@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001725244487 1425860130 /nfs/dbraw/zinc/86/01/30/1425860130.db2.gz RFLHHKKDXXOZQJ-CYBMUJFWSA-N 1 2 331.435 3.070 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)COc2ccc(C)cc2)[C@H]1C ZINC001734457427 1438115269 /nfs/dbraw/zinc/11/52/69/1438115269.db2.gz JWQHXAYVYSYGDK-WBVHZDCISA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)COc2ccc(C)cc2)[C@H]1C ZINC001734457427 1438115272 /nfs/dbraw/zinc/11/52/72/1438115272.db2.gz JWQHXAYVYSYGDK-WBVHZDCISA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](F)Cc1ccccc1 ZINC001752824684 1440223031 /nfs/dbraw/zinc/22/30/31/1440223031.db2.gz CCCZFPJZISPIJQ-IAGOWNOFSA-N 1 2 338.854 3.290 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](F)Cc1ccccc1 ZINC001752824684 1440223032 /nfs/dbraw/zinc/22/30/32/1440223032.db2.gz CCCZFPJZISPIJQ-IAGOWNOFSA-N 1 2 338.854 3.290 20 30 EGEDLO C=CC(C)(C)CC(=O)N(C)CC[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC001753194178 1440337873 /nfs/dbraw/zinc/33/78/73/1440337873.db2.gz IXIVWKUFGYQEQM-CYBMUJFWSA-N 1 2 336.480 3.078 20 30 EGEDLO CCCN(C(=O)C(C)(F)F)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001753312117 1440357020 /nfs/dbraw/zinc/35/70/20/1440357020.db2.gz RPRQHCSWPQZLJW-LBPRGKRZSA-N 1 2 341.427 3.088 20 30 EGEDLO CCCN(C(=O)C(C)(F)F)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001753312117 1440357021 /nfs/dbraw/zinc/35/70/21/1440357021.db2.gz RPRQHCSWPQZLJW-LBPRGKRZSA-N 1 2 341.427 3.088 20 30 EGEDLO CC[C@@H](CC(C)C)C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001753413980 1440393863 /nfs/dbraw/zinc/39/38/63/1440393863.db2.gz VSDUJURSNDLIGK-KRWDZBQOSA-N 1 2 345.462 3.318 20 30 EGEDLO O=C(CC#Cc1ccccc1)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1F ZINC001753428080 1440397554 /nfs/dbraw/zinc/39/75/54/1440397554.db2.gz VQMBWDWJSPVHAG-PMACEKPBSA-N 1 2 348.421 3.053 20 30 EGEDLO O=C(CC#Cc1ccccc1)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1F ZINC001753428080 1440397555 /nfs/dbraw/zinc/39/75/55/1440397555.db2.gz VQMBWDWJSPVHAG-PMACEKPBSA-N 1 2 348.421 3.053 20 30 EGEDLO C=C(C)CCC(=O)N(C)[C@H]1CC[N@@H+]([C@H](C)c2nc(CCCC)no2)C1 ZINC001753437456 1440400622 /nfs/dbraw/zinc/40/06/22/1440400622.db2.gz WROQUXNCYAODTM-CVEARBPZSA-N 1 2 348.491 3.362 20 30 EGEDLO C=C(C)CCC(=O)N(C)[C@H]1CC[N@H+]([C@H](C)c2nc(CCCC)no2)C1 ZINC001753437456 1440400623 /nfs/dbraw/zinc/40/06/23/1440400623.db2.gz WROQUXNCYAODTM-CVEARBPZSA-N 1 2 348.491 3.362 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001753442468 1440402197 /nfs/dbraw/zinc/40/21/97/1440402197.db2.gz DBRKAIZMRBPVBD-HNNXBMFYSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001753442468 1440402198 /nfs/dbraw/zinc/40/21/98/1440402198.db2.gz DBRKAIZMRBPVBD-HNNXBMFYSA-N 1 2 345.487 3.188 20 30 EGEDLO CCC1(C(=O)N(C)[C@@H]2CC[N@H+](CC#Cc3ccccc3Cl)C2)CC1 ZINC001753444413 1440402969 /nfs/dbraw/zinc/40/29/69/1440402969.db2.gz QJKMNLBDAGYXHV-QGZVFWFLSA-N 1 2 344.886 3.414 20 30 EGEDLO CCC1(C(=O)N(C)[C@@H]2CC[N@@H+](CC#Cc3ccccc3Cl)C2)CC1 ZINC001753444413 1440402970 /nfs/dbraw/zinc/40/29/70/1440402970.db2.gz QJKMNLBDAGYXHV-QGZVFWFLSA-N 1 2 344.886 3.414 20 30 EGEDLO CN(CC[N@H+](C)Cc1cc(F)ccc1C#N)C(=O)[C@@H]1CC12CCCC2 ZINC001753876416 1440519630 /nfs/dbraw/zinc/51/96/30/1440519630.db2.gz RUANJFFGBAOUMD-SFHVURJKSA-N 1 2 343.446 3.168 20 30 EGEDLO CN(CC[N@@H+](C)Cc1cc(F)ccc1C#N)C(=O)[C@@H]1CC12CCCC2 ZINC001753876416 1440519631 /nfs/dbraw/zinc/51/96/31/1440519631.db2.gz RUANJFFGBAOUMD-SFHVURJKSA-N 1 2 343.446 3.168 20 30 EGEDLO CN(C(=O)C#CC(C)(C)C)C1C[NH+](CCc2ccc(Cl)cc2)C1 ZINC001754574856 1440637564 /nfs/dbraw/zinc/63/75/64/1440637564.db2.gz GOPHHCQQOVHNMN-UHFFFAOYSA-N 1 2 332.875 3.075 20 30 EGEDLO C#CCCCCCC(=O)N(C)C1C[NH+](Cc2cc(F)ccc2C)C1 ZINC001754579755 1440638526 /nfs/dbraw/zinc/63/85/26/1440638526.db2.gz BRACDKMNMHODKU-UHFFFAOYSA-N 1 2 330.447 3.360 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N[C@]1(C)CC[N@H+](CC=C(Cl)Cl)C1)OCC ZINC001754674145 1440659230 /nfs/dbraw/zinc/65/92/30/1440659230.db2.gz ODMWKVDCBCAERB-CZUORRHYSA-N 1 2 349.302 3.257 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N[C@]1(C)CC[N@@H+](CC=C(Cl)Cl)C1)OCC ZINC001754674145 1440659231 /nfs/dbraw/zinc/65/92/31/1440659231.db2.gz ODMWKVDCBCAERB-CZUORRHYSA-N 1 2 349.302 3.257 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@]1(C)CC[N@H+](Cc2noc3c2CCCC3)C1 ZINC001754678987 1440661587 /nfs/dbraw/zinc/66/15/87/1440661587.db2.gz XPPNGRRRPGIFAE-FOIQADDNSA-N 1 2 345.487 3.236 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@]1(C)CC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001754678987 1440661588 /nfs/dbraw/zinc/66/15/88/1440661588.db2.gz XPPNGRRRPGIFAE-FOIQADDNSA-N 1 2 345.487 3.236 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1COCC[N@@H+]1CC/C=C\c1ccccc1 ZINC001754967151 1440718336 /nfs/dbraw/zinc/71/83/36/1440718336.db2.gz BMUKFEUNPAYOMT-ATYVUACHSA-N 1 2 342.483 3.263 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1COCC[N@H+]1CC/C=C\c1ccccc1 ZINC001754967151 1440718337 /nfs/dbraw/zinc/71/83/37/1440718337.db2.gz BMUKFEUNPAYOMT-ATYVUACHSA-N 1 2 342.483 3.263 20 30 EGEDLO C=CC(C)(C)CC(=O)N(C)CCC[N@H+](C)CC(=C)Br ZINC001755038202 1440735712 /nfs/dbraw/zinc/73/57/12/1440735712.db2.gz QCBBFELAUKECPZ-UHFFFAOYSA-N 1 2 331.298 3.278 20 30 EGEDLO C=CC(C)(C)CC(=O)N(C)CCC[N@@H+](C)CC(=C)Br ZINC001755038202 1440735713 /nfs/dbraw/zinc/73/57/13/1440735713.db2.gz QCBBFELAUKECPZ-UHFFFAOYSA-N 1 2 331.298 3.278 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC(C)(C)CC(F)F ZINC001755075832 1440748687 /nfs/dbraw/zinc/74/86/87/1440748687.db2.gz NQLJJZMJLZLEOG-QGZVFWFLSA-N 1 2 348.437 3.234 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC(C)(C)CC(F)F ZINC001755075832 1440748688 /nfs/dbraw/zinc/74/86/88/1440748688.db2.gz NQLJJZMJLZLEOG-QGZVFWFLSA-N 1 2 348.437 3.234 20 30 EGEDLO C#CCCCC(=O)NC[C@@H](C)[N@H+](C)Cc1cc(-c2ccccc2)on1 ZINC001755296462 1440806623 /nfs/dbraw/zinc/80/66/23/1440806623.db2.gz NFNTXBHTDOXWHH-MRXNPFEDSA-N 1 2 339.439 3.082 20 30 EGEDLO C#CCCCC(=O)NC[C@@H](C)[N@@H+](C)Cc1cc(-c2ccccc2)on1 ZINC001755296462 1440806624 /nfs/dbraw/zinc/80/66/24/1440806624.db2.gz NFNTXBHTDOXWHH-MRXNPFEDSA-N 1 2 339.439 3.082 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H](C)C1C[NH+](Cc2ncoc2C(C)C)C1 ZINC001755381669 1440839507 /nfs/dbraw/zinc/83/95/07/1440839507.db2.gz KKBJSGKOGGOXOX-IFXJQAMLSA-N 1 2 333.476 3.337 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H](C)C2C[NH+](Cc3cc(F)cc(F)c3)C2)C1 ZINC001755386404 1440840749 /nfs/dbraw/zinc/84/07/49/1440840749.db2.gz PLFNWKRHDKZOIL-ZDUSSCGKSA-N 1 2 334.410 3.258 20 30 EGEDLO C=CCCC(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1coc(C3CC3)n1)CC2 ZINC001755696861 1440898339 /nfs/dbraw/zinc/89/83/39/1440898339.db2.gz POVXQRKCGMEFAL-QFBILLFUSA-N 1 2 329.444 3.131 20 30 EGEDLO C=CCCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](Cc1coc(C3CC3)n1)CC2 ZINC001755696861 1440898340 /nfs/dbraw/zinc/89/83/40/1440898340.db2.gz POVXQRKCGMEFAL-QFBILLFUSA-N 1 2 329.444 3.131 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CCC[N@@H+]1Cc1c(F)cccc1F ZINC001755716920 1440905419 /nfs/dbraw/zinc/90/54/19/1440905419.db2.gz COUXWCYWXJJVJX-KDOFPFPSSA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CCC[N@H+]1Cc1c(F)cccc1F ZINC001755716920 1440905420 /nfs/dbraw/zinc/90/54/20/1440905420.db2.gz COUXWCYWXJJVJX-KDOFPFPSSA-N 1 2 348.437 3.483 20 30 EGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)Cc2cc(C)ccc2C)CC1 ZINC001755892662 1440941700 /nfs/dbraw/zinc/94/17/00/1440941700.db2.gz RQBQKZILPCGIOD-UHFFFAOYSA-N 1 2 332.875 3.347 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)Cc2cc(C)ccc2C)CC1 ZINC001755892662 1440941701 /nfs/dbraw/zinc/94/17/01/1440941701.db2.gz RQBQKZILPCGIOD-UHFFFAOYSA-N 1 2 332.875 3.347 20 30 EGEDLO C=CC[NH+]1CCN(C(F)(F)c2ccc3ncnc(Cl)c3c2)CC1 ZINC001165031600 721866128 /nfs/dbraw/zinc/86/61/28/721866128.db2.gz OUESWXVJCWXCND-UHFFFAOYSA-N 1 2 338.789 3.136 20 30 EGEDLO C=C1CC[NH+](Cc2csc(CNC(=O)c3ccccc3)n2)CC1 ZINC000267456311 201223326 /nfs/dbraw/zinc/22/33/26/201223326.db2.gz PCKMZHLHNUTDLZ-UHFFFAOYSA-N 1 2 327.453 3.225 20 30 EGEDLO C#CC[C@@H]([NH2+]Cc1nnnn1-c1c(C)cccc1C)c1ccccc1 ZINC000271683170 201246718 /nfs/dbraw/zinc/24/67/18/201246718.db2.gz IWHCNIIYTWUMQZ-GOSISDBHSA-N 1 2 331.423 3.133 20 30 EGEDLO C#CCSc1nnc(C[NH+]2CCCCC2)n1Cc1ccccc1 ZINC000275057690 201276252 /nfs/dbraw/zinc/27/62/52/201276252.db2.gz VHNSISAQUQOZFE-UHFFFAOYSA-N 1 2 326.469 3.038 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(Cl)cc3c2OCC3)n1 ZINC000279668487 201320926 /nfs/dbraw/zinc/32/09/26/201320926.db2.gz DUYPAXQEVVYNIU-UHFFFAOYSA-N 1 2 329.831 3.127 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(Cl)cc3c2OCC3)n1 ZINC000279668487 201320927 /nfs/dbraw/zinc/32/09/27/201320927.db2.gz DUYPAXQEVVYNIU-UHFFFAOYSA-N 1 2 329.831 3.127 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)cc1Cl ZINC000279736156 201321734 /nfs/dbraw/zinc/32/17/34/201321734.db2.gz WRDNYUXZCDXTES-KBXCAEBGSA-N 1 2 337.847 3.285 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CCO[C@]3(CCO[C@H]3C)C2)cc1Cl ZINC000279736156 201321735 /nfs/dbraw/zinc/32/17/35/201321735.db2.gz WRDNYUXZCDXTES-KBXCAEBGSA-N 1 2 337.847 3.285 20 30 EGEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000278911725 201312802 /nfs/dbraw/zinc/31/28/02/201312802.db2.gz KSPOBAYHZPCPLZ-JTQLQIEISA-N 1 2 333.379 3.013 20 30 EGEDLO C=C(C)CNC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000156402737 205084751 /nfs/dbraw/zinc/08/47/51/205084751.db2.gz UEYWEWFMZHGUQR-UHFFFAOYSA-N 1 2 336.439 3.020 20 30 EGEDLO CCCCN(C)C(=O)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000158545604 206198639 /nfs/dbraw/zinc/19/86/39/206198639.db2.gz XVNMVURWMFOFML-UHFFFAOYSA-N 1 2 331.435 3.168 20 30 EGEDLO C[C@H](c1cccnc1)[NH+]1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000265162107 247259364 /nfs/dbraw/zinc/25/93/64/247259364.db2.gz WFWDUZGXLKJURU-CYBMUJFWSA-N 1 2 328.366 3.115 20 30 EGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(C#N)cc1 ZINC000174893689 207069413 /nfs/dbraw/zinc/06/94/13/207069413.db2.gz NXEIIOSQIGKKIM-UHFFFAOYSA-N 1 2 348.450 3.332 20 30 EGEDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000267400846 251023288 /nfs/dbraw/zinc/02/32/88/251023288.db2.gz PKUZSNRYAJLSEX-ZDUSSCGKSA-N 1 2 328.366 3.115 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)cc1Br)[C@@H](CO)c1ccccc1 ZINC000350813397 141268318 /nfs/dbraw/zinc/26/83/18/141268318.db2.gz PWSOINQHAOXOBY-KRWDZBQOSA-N 1 2 345.240 3.486 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)cc1Br)[C@@H](CO)c1ccccc1 ZINC000350813397 141268319 /nfs/dbraw/zinc/26/83/19/141268319.db2.gz PWSOINQHAOXOBY-KRWDZBQOSA-N 1 2 345.240 3.486 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)Nc1ccc(C#N)c(F)c1 ZINC000353533004 141305829 /nfs/dbraw/zinc/30/58/29/141305829.db2.gz RZSWOOGFBQJQGL-UHFFFAOYSA-N 1 2 337.358 3.177 20 30 EGEDLO Cc1nsc(N2CC[NH+](Cc3ccc([C@H]4C[C@@H]4C)o3)CC2)c1C#N ZINC000356275887 141333359 /nfs/dbraw/zinc/33/33/59/141333359.db2.gz GDZVOBMNSGIGRT-WFASDCNBSA-N 1 2 342.468 3.362 20 30 EGEDLO Cn1cc([C@@H]([NH2+]Cc2cc(C#N)ccc2F)c2ccc(F)cc2)cn1 ZINC000184593904 144095855 /nfs/dbraw/zinc/09/58/55/144095855.db2.gz MEBNNXODUUYUSU-IBGZPJMESA-N 1 2 338.361 3.449 20 30 EGEDLO Cn1cc([C@H]([NH2+]Cc2ccc(F)cc2C#N)c2ccc(F)cc2)cn1 ZINC000185423660 144112250 /nfs/dbraw/zinc/11/22/50/144112250.db2.gz VHIAYPUNWGAMTB-LJQANCHMSA-N 1 2 338.361 3.449 20 30 EGEDLO N#Cc1ccc(C[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)c(F)c1 ZINC000344711800 144213170 /nfs/dbraw/zinc/21/31/70/144213170.db2.gz TZKNNSOFDLGCRL-UHFFFAOYSA-N 1 2 349.291 3.049 20 30 EGEDLO Cc1oc(NC(=O)C[NH+]2CCC(OC3CCCC3)CC2)c(C#N)c1C ZINC000195323331 153394497 /nfs/dbraw/zinc/39/44/97/153394497.db2.gz DVXDNELFBSNTOK-UHFFFAOYSA-N 1 2 345.443 3.130 20 30 EGEDLO CC[N@H+](Cc1ccc(C#N)s1)[C@H]1CCN(c2ccccc2)C1=O ZINC000125221216 162267588 /nfs/dbraw/zinc/26/75/88/162267588.db2.gz FQMSUOBNAVSDDZ-KRWDZBQOSA-N 1 2 325.437 3.247 20 30 EGEDLO CC[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCN(c2ccccc2)C1=O ZINC000125221216 162267590 /nfs/dbraw/zinc/26/75/90/162267590.db2.gz FQMSUOBNAVSDDZ-KRWDZBQOSA-N 1 2 325.437 3.247 20 30 EGEDLO C[C@H]([NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1)c1ccc(C#N)cc1 ZINC000338342056 163217165 /nfs/dbraw/zinc/21/71/65/163217165.db2.gz FFPYYESOFDHULU-LBPRGKRZSA-N 1 2 348.362 3.188 20 30 EGEDLO CN(C)c1[nH]c2ccc(NC(=O)C3(c4cccc(C#N)c4)CC3)cc2[nH+]1 ZINC000338916364 163385766 /nfs/dbraw/zinc/38/57/66/163385766.db2.gz BGOHBLZBORQUTD-UHFFFAOYSA-N 1 2 345.406 3.171 20 30 EGEDLO CN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000360498363 167341173 /nfs/dbraw/zinc/34/11/73/167341173.db2.gz VLYBTMYDULJPJA-UHFFFAOYSA-N 1 2 345.406 3.086 20 30 EGEDLO CC(C)c1nc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000366426188 168119397 /nfs/dbraw/zinc/11/93/97/168119397.db2.gz YDZRXPJSKGSRHI-OAHLLOKOSA-N 1 2 328.441 3.186 20 30 EGEDLO CC(C)c1nc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000366426188 168119398 /nfs/dbraw/zinc/11/93/98/168119398.db2.gz YDZRXPJSKGSRHI-OAHLLOKOSA-N 1 2 328.441 3.186 20 30 EGEDLO COc1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1C#N ZINC000367123620 168181164 /nfs/dbraw/zinc/18/11/64/168181164.db2.gz VCINKSABVYXHHF-FQEVSTJZSA-N 1 2 333.391 3.012 20 30 EGEDLO COc1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1C#N ZINC000367123620 168181165 /nfs/dbraw/zinc/18/11/65/168181165.db2.gz VCINKSABVYXHHF-FQEVSTJZSA-N 1 2 333.391 3.012 20 30 EGEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)NCc3cccs3)CC2)cc1 ZINC000367215668 168193942 /nfs/dbraw/zinc/19/39/42/168193942.db2.gz KXEODSJOGSFPGP-UHFFFAOYSA-N 1 2 337.448 3.025 20 30 EGEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)NCc3cccs3)CC2)cc1 ZINC000367215668 168193944 /nfs/dbraw/zinc/19/39/44/168193944.db2.gz KXEODSJOGSFPGP-UHFFFAOYSA-N 1 2 337.448 3.025 20 30 EGEDLO N#Cc1cc(F)c(N2CC[NH+](Cc3cccc(F)c3)CC2)c(F)c1 ZINC000301704579 270044044 /nfs/dbraw/zinc/04/40/44/270044044.db2.gz HVPJWUJYKOZCOR-UHFFFAOYSA-N 1 2 331.341 3.298 20 30 EGEDLO N#Cc1ccc(/C=C\C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000491895843 270058115 /nfs/dbraw/zinc/05/81/15/270058115.db2.gz QMILLDZRPYROEY-HJWRWDBZSA-N 1 2 328.375 3.074 20 30 EGEDLO C/C(Cl)=C/C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000528365893 270059968 /nfs/dbraw/zinc/05/99/68/270059968.db2.gz NBLXQUIVNSECFD-NSIKDUERSA-N 1 2 326.831 3.371 20 30 EGEDLO CC(C)(C)OC(=O)C1([NH2+]CCOc2ccccc2C#N)CCCC1 ZINC000533378794 270060669 /nfs/dbraw/zinc/06/06/69/270060669.db2.gz PXCHDIFBNNAHGA-UHFFFAOYSA-N 1 2 330.428 3.181 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+](C)Cc2cccc(O)c2)c(C#N)c1C ZINC000533447016 270060837 /nfs/dbraw/zinc/06/08/37/270060837.db2.gz KVWWINHSHRBFBS-UHFFFAOYSA-N 1 2 329.425 3.013 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+](C)Cc2cccc(O)c2)c(C#N)c1C ZINC000533447016 270060838 /nfs/dbraw/zinc/06/08/38/270060838.db2.gz KVWWINHSHRBFBS-UHFFFAOYSA-N 1 2 329.425 3.013 20 30 EGEDLO CC(C)(C)OC(=O)C1([NH2+]CCOc2ccc(C#N)cc2)CCCC1 ZINC000533378294 270060910 /nfs/dbraw/zinc/06/09/10/270060910.db2.gz FWYGQFLSPACWRE-UHFFFAOYSA-N 1 2 330.428 3.181 20 30 EGEDLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(C#N)s1 ZINC000179627980 266045067 /nfs/dbraw/zinc/04/50/67/266045067.db2.gz XDBSQEWOEGUKGF-UHFFFAOYSA-N 1 2 343.452 3.479 20 30 EGEDLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(C#N)s1 ZINC000179627980 266045068 /nfs/dbraw/zinc/04/50/68/266045068.db2.gz XDBSQEWOEGUKGF-UHFFFAOYSA-N 1 2 343.452 3.479 20 30 EGEDLO COc1cc(C[N@@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)ccc1C#N ZINC000331273696 266811865 /nfs/dbraw/zinc/81/18/65/266811865.db2.gz MPEFCFNDWKIYSE-UHFFFAOYSA-N 1 2 343.471 3.036 20 30 EGEDLO COc1cc(C[N@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)ccc1C#N ZINC000331273696 266811868 /nfs/dbraw/zinc/81/18/68/266811868.db2.gz MPEFCFNDWKIYSE-UHFFFAOYSA-N 1 2 343.471 3.036 20 30 EGEDLO CC1(C)CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000468860232 266965066 /nfs/dbraw/zinc/96/50/66/266965066.db2.gz GBHQKRJMNDVIAS-LJQANCHMSA-N 1 2 339.483 3.419 20 30 EGEDLO CCCc1nc(C)c(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)o1 ZINC000428216531 267043105 /nfs/dbraw/zinc/04/31/05/267043105.db2.gz QDDTUVSVGGNPCX-UHFFFAOYSA-N 1 2 342.418 3.269 20 30 EGEDLO CC[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccccc1Cl ZINC000521821126 267054014 /nfs/dbraw/zinc/05/40/14/267054014.db2.gz WEUAOSYJLPDUSX-UHFFFAOYSA-N 1 2 341.842 3.350 20 30 EGEDLO CC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccccc1Cl ZINC000521821126 267054017 /nfs/dbraw/zinc/05/40/17/267054017.db2.gz WEUAOSYJLPDUSX-UHFFFAOYSA-N 1 2 341.842 3.350 20 30 EGEDLO CCn1cc[nH+]c1/C=C\C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000492296160 267255699 /nfs/dbraw/zinc/25/56/99/267255699.db2.gz NYOVZQWFAYRYPH-FPLPWBNLSA-N 1 2 332.407 3.104 20 30 EGEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(F)c(Cl)c1 ZINC000433233374 267299046 /nfs/dbraw/zinc/29/90/46/267299046.db2.gz OPEYVSAOYXFKTJ-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(F)c(Cl)c1 ZINC000433233374 267299047 /nfs/dbraw/zinc/29/90/47/267299047.db2.gz OPEYVSAOYXFKTJ-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1ccc(C#N)cc1Cl ZINC000429620978 267321491 /nfs/dbraw/zinc/32/14/91/267321491.db2.gz JSFDFVIIVLLBPC-UHFFFAOYSA-N 1 2 343.818 3.408 20 30 EGEDLO Cc1cn2c([nH+]1)[C@@H](CNc1cc(C)c([N+](=O)[O-])cc1C#N)CCC2 ZINC000413210690 268069235 /nfs/dbraw/zinc/06/92/35/268069235.db2.gz WGHHTIYAITXNKH-CYBMUJFWSA-N 1 2 325.372 3.269 20 30 EGEDLO Cc1[nH+]c2cc(CNC(=O)c3ncc(C#N)cc3C)ccc2n1C1CC1 ZINC000517320412 268079286 /nfs/dbraw/zinc/07/92/86/268079286.db2.gz UGMYJIJKXOORRO-UHFFFAOYSA-N 1 2 345.406 3.185 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416096742 268080189 /nfs/dbraw/zinc/08/01/89/268080189.db2.gz IHOTYSSCQMVIHV-SFHVURJKSA-N 1 2 344.418 3.410 20 30 EGEDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000479030969 268081991 /nfs/dbraw/zinc/08/19/91/268081991.db2.gz ZULDZWDCYFLCKM-UHFFFAOYSA-N 1 2 332.363 3.312 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c(C#N)c1C ZINC000156725197 294037079 /nfs/dbraw/zinc/03/70/79/294037079.db2.gz IHQACOYLAQARMS-GJZGRUSLSA-N 1 2 333.457 3.067 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c(C#N)c1C ZINC000156725197 294037084 /nfs/dbraw/zinc/03/70/84/294037084.db2.gz IHQACOYLAQARMS-GJZGRUSLSA-N 1 2 333.457 3.067 20 30 EGEDLO N#CCCN1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000601262674 460768352 /nfs/dbraw/zinc/76/83/52/460768352.db2.gz SBVQTQKFRMZLAG-UHFFFAOYSA-N 1 2 345.244 3.033 20 30 EGEDLO N#Cc1ccc([C@@H]([NH2+][C@@H]2CCc3sc(Cl)cc32)C(N)=O)cc1 ZINC000357281496 303199967 /nfs/dbraw/zinc/19/99/67/303199967.db2.gz GDIALMRRDJDJPC-IUODEOHRSA-N 1 2 331.828 3.077 20 30 EGEDLO Cc1ccc(C#N)c(N2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC000161906036 307907525 /nfs/dbraw/zinc/90/75/25/307907525.db2.gz ZHTNYBZAVQMMBD-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3cccnc3)o2)cc1 ZINC000553888618 315287400 /nfs/dbraw/zinc/28/74/00/315287400.db2.gz AANKMHBPTQCKBT-QGZVFWFLSA-N 1 2 331.379 3.340 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3cccnc3)o2)cc1 ZINC000553888618 315287401 /nfs/dbraw/zinc/28/74/01/315287401.db2.gz AANKMHBPTQCKBT-QGZVFWFLSA-N 1 2 331.379 3.340 20 30 EGEDLO Cn1c[nH+]cc1CC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000554489930 315322364 /nfs/dbraw/zinc/32/23/64/315322364.db2.gz BUJMRFRITIPHPH-UHFFFAOYSA-N 1 2 332.363 3.265 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(C(F)F)CCCC3)CC2)cc1 ZINC000564194887 316121907 /nfs/dbraw/zinc/12/19/07/316121907.db2.gz QDPRFMVMESABEM-UHFFFAOYSA-N 1 2 347.409 3.028 20 30 EGEDLO CCc1[nH+]c2ccccc2n1C1CCN(c2ccc(C#N)c(N)n2)CC1 ZINC000565230826 316296196 /nfs/dbraw/zinc/29/61/96/316296196.db2.gz WOZSWXLAFKAEHZ-UHFFFAOYSA-N 1 2 346.438 3.289 20 30 EGEDLO COC(=O)c1cccc(C[N@H+]2Cc3ccccc3O[C@@H](C)C2)c1C#N ZINC000565340024 316310553 /nfs/dbraw/zinc/31/05/53/316310553.db2.gz KOXVFVMQUPNARJ-AWEZNQCLSA-N 1 2 336.391 3.128 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+]2Cc3ccccc3O[C@@H](C)C2)c1C#N ZINC000565340024 316310556 /nfs/dbraw/zinc/31/05/56/316310556.db2.gz KOXVFVMQUPNARJ-AWEZNQCLSA-N 1 2 336.391 3.128 20 30 EGEDLO C[C@H]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000570204349 317022342 /nfs/dbraw/zinc/02/23/42/317022342.db2.gz RLWNXIJZKKGBFB-LRDDRELGSA-N 1 2 328.803 3.131 20 30 EGEDLO Cc1oc(NC(=O)C[NH+]2CCC(OCCC(C)C)CC2)c(C#N)c1C ZINC000194339074 323855187 /nfs/dbraw/zinc/85/51/87/323855187.db2.gz DOROJWJPPVIQLI-UHFFFAOYSA-N 1 2 347.459 3.234 20 30 EGEDLO COc1cc(OC)c2ncc(C#N)c(N[C@H]3C[C@H](C)n4cc[nH+]c43)c2c1 ZINC000583975521 325566463 /nfs/dbraw/zinc/56/64/63/325566463.db2.gz QOMRURPGTZOPJM-NHYWBVRUSA-N 1 2 349.394 3.438 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CCOC[C@H]2CCOC)cc1Cl ZINC000361229607 457657880 /nfs/dbraw/zinc/65/78/80/457657880.db2.gz RIJJRPWCCMRPGL-OAHLLOKOSA-N 1 2 325.836 3.142 20 30 EGEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000264531979 455230810 /nfs/dbraw/zinc/23/08/10/455230810.db2.gz ITCNQDKHNRCMGU-ZIAGYGMSSA-N 1 2 343.456 3.488 20 30 EGEDLO Cc1ccc([C@H](CNc2ccc(F)cc2C#N)[NH+]2CCOCC2)o1 ZINC000264627102 455251500 /nfs/dbraw/zinc/25/15/00/455251500.db2.gz JXETUZLZDRCZKI-KRWDZBQOSA-N 1 2 329.375 3.084 20 30 EGEDLO CN(C(=O)C[N@@H+]1CCC[C@@](C)(C#N)C1)[C@@H]1CCCc2ccccc21 ZINC000612166012 460557862 /nfs/dbraw/zinc/55/78/62/460557862.db2.gz SJVPQUXQQLYKKP-QUCCMNQESA-N 1 2 325.456 3.148 20 30 EGEDLO CN(C(=O)C[N@H+]1CCC[C@@](C)(C#N)C1)[C@@H]1CCCc2ccccc21 ZINC000612166012 460557864 /nfs/dbraw/zinc/55/78/64/460557864.db2.gz SJVPQUXQQLYKKP-QUCCMNQESA-N 1 2 325.456 3.148 20 30 EGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000612165481 460557952 /nfs/dbraw/zinc/55/79/52/460557952.db2.gz NFPGHNWYYLMHMI-FQEVSTJZSA-N 1 2 325.456 3.438 20 30 EGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000612165481 460557957 /nfs/dbraw/zinc/55/79/57/460557957.db2.gz NFPGHNWYYLMHMI-FQEVSTJZSA-N 1 2 325.456 3.438 20 30 EGEDLO C=CCOc1c(Cl)cc(C[NH2+]Cc2nnc(C)s2)cc1OC ZINC000623487537 460575814 /nfs/dbraw/zinc/57/58/14/460575814.db2.gz GKTMJYHSNIJZBB-UHFFFAOYSA-N 1 2 339.848 3.363 20 30 EGEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000007018055 453018740 /nfs/dbraw/zinc/01/87/40/453018740.db2.gz XATWCRXNDQTPKF-MRXNPFEDSA-N 1 2 340.254 3.234 20 30 EGEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000007018055 453018748 /nfs/dbraw/zinc/01/87/48/453018748.db2.gz XATWCRXNDQTPKF-MRXNPFEDSA-N 1 2 340.254 3.234 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1cccc2nsnc21)Cc1cccs1 ZINC000019105558 453654064 /nfs/dbraw/zinc/65/40/64/453654064.db2.gz RNRJRDYLWUEKBG-UHFFFAOYSA-N 1 2 344.465 3.380 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1cccc2nsnc21)Cc1cccs1 ZINC000019105558 453654068 /nfs/dbraw/zinc/65/40/68/453654068.db2.gz RNRJRDYLWUEKBG-UHFFFAOYSA-N 1 2 344.465 3.380 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(OC)cc1OC)Cc1cccs1 ZINC000019540499 453657574 /nfs/dbraw/zinc/65/75/74/453657574.db2.gz XDWALCVGLBXMQH-UHFFFAOYSA-N 1 2 346.452 3.392 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccc(OC)cc1OC)Cc1cccs1 ZINC000019540499 453657578 /nfs/dbraw/zinc/65/75/78/453657578.db2.gz XDWALCVGLBXMQH-UHFFFAOYSA-N 1 2 346.452 3.392 20 30 EGEDLO N#Cc1cccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000021870195 453683129 /nfs/dbraw/zinc/68/31/29/453683129.db2.gz VUGWEISEGOTARS-WEVVVXLNSA-N 1 2 331.419 3.029 20 30 EGEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCOc2ccc(Cl)c(F)c2)CC1 ZINC000616768887 460617346 /nfs/dbraw/zinc/61/73/46/460617346.db2.gz SVXLIYDZRPTMFK-QGZVFWFLSA-N 1 2 339.842 3.024 20 30 EGEDLO C=CCOc1ccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000024437689 453733851 /nfs/dbraw/zinc/73/38/51/453733851.db2.gz YELWSDJGXGBVNO-UHFFFAOYSA-N 1 2 347.418 3.426 20 30 EGEDLO N#CCCN(C(=O)CSc1[nH+]cc2ccccn21)c1ccccc1 ZINC000024502729 453736148 /nfs/dbraw/zinc/73/61/48/453736148.db2.gz YVFNESGCBJJGGE-UHFFFAOYSA-N 1 2 336.420 3.373 20 30 EGEDLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000026323927 453796655 /nfs/dbraw/zinc/79/66/55/453796655.db2.gz VYNBUVUXHYEFFO-AWEZNQCLSA-N 1 2 335.407 3.220 20 30 EGEDLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000026323927 453796658 /nfs/dbraw/zinc/79/66/58/453796658.db2.gz VYNBUVUXHYEFFO-AWEZNQCLSA-N 1 2 335.407 3.220 20 30 EGEDLO N#Cc1c(F)cccc1N1CC[NH+](CCOc2ccccc2F)CC1 ZINC000029856674 453832132 /nfs/dbraw/zinc/83/21/32/453832132.db2.gz UTFGTGFTBZLTEK-UHFFFAOYSA-N 1 2 343.377 3.037 20 30 EGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000184366294 455374368 /nfs/dbraw/zinc/37/43/68/455374368.db2.gz UXBYUPSTQZFJCE-GFCCVEGCSA-N 1 2 331.466 3.200 20 30 EGEDLO CC(C)CC[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000055069302 453959811 /nfs/dbraw/zinc/95/98/11/453959811.db2.gz FYFIDISRJZNFLP-QGZVFWFLSA-N 1 2 342.487 3.210 20 30 EGEDLO N#CCc1cccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000042211350 454001082 /nfs/dbraw/zinc/00/10/82/454001082.db2.gz XOJJYZUCZWHEQT-WEVVVXLNSA-N 1 2 345.446 3.224 20 30 EGEDLO C=CCN(CCc1ccccc1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068407939 454023935 /nfs/dbraw/zinc/02/39/35/454023935.db2.gz PQWWPJCNOPVIDM-UHFFFAOYSA-N 1 2 349.478 3.443 20 30 EGEDLO Cc1ccc2[nH+]c(CNC(=O)N[C@H](C)c3ccc(C#N)cc3)cn2c1 ZINC000057221441 454113042 /nfs/dbraw/zinc/11/30/42/454113042.db2.gz RORFPZWAFIXDSM-CQSZACIVSA-N 1 2 333.395 3.075 20 30 EGEDLO CN(CC#N)C(=O)c1ccc(SCc2cn3ccccc3[nH+]2)cc1 ZINC000058158105 454166385 /nfs/dbraw/zinc/16/63/85/454166385.db2.gz WNMGLGGSTWSNRG-UHFFFAOYSA-N 1 2 336.420 3.222 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)CCc1ccc(C#N)cc1 ZINC000045782119 454181361 /nfs/dbraw/zinc/18/13/61/454181361.db2.gz ZJLUUGKLZUKQCN-UHFFFAOYSA-N 1 2 346.434 3.356 20 30 EGEDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000094155592 454190246 /nfs/dbraw/zinc/19/02/46/454190246.db2.gz OCZWRYRARANRAT-ZDUSSCGKSA-N 1 2 328.366 3.115 20 30 EGEDLO CC#CCSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000078925187 454337580 /nfs/dbraw/zinc/33/75/80/454337580.db2.gz SEVBVHOWXLDDKF-UHFFFAOYSA-N 1 2 326.469 3.369 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(O)c2)c(C#N)c1C ZINC000121290499 454417022 /nfs/dbraw/zinc/41/70/22/454417022.db2.gz ZHQCKMDMOMFWNS-GFCCVEGCSA-N 1 2 327.384 3.105 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(O)c2)c(C#N)c1C ZINC000121290499 454417028 /nfs/dbraw/zinc/41/70/28/454417028.db2.gz ZHQCKMDMOMFWNS-GFCCVEGCSA-N 1 2 327.384 3.105 20 30 EGEDLO Cn1c[nH+]cc1CCNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000121413562 454431454 /nfs/dbraw/zinc/43/14/54/454431454.db2.gz IONFUYIWDJRAGH-UHFFFAOYSA-N 1 2 345.406 3.008 20 30 EGEDLO Cc1ccc2[nH+]c(CN3CCN([C@H](C#N)c4ccccc4)CC3)cn2c1 ZINC000121445052 454436689 /nfs/dbraw/zinc/43/66/89/454436689.db2.gz WSNRQWDIEKMAAC-HXUWFJFHSA-N 1 2 345.450 3.025 20 30 EGEDLO C#CC[N@@H+](Cc1csc(CC(=O)OC(C)C)n1)C1CCCCC1 ZINC000063741752 454443669 /nfs/dbraw/zinc/44/36/69/454443669.db2.gz PXTKMHMXLVADTD-UHFFFAOYSA-N 1 2 334.485 3.405 20 30 EGEDLO C#CC[N@H+](Cc1csc(CC(=O)OC(C)C)n1)C1CCCCC1 ZINC000063741752 454443674 /nfs/dbraw/zinc/44/36/74/454443674.db2.gz PXTKMHMXLVADTD-UHFFFAOYSA-N 1 2 334.485 3.405 20 30 EGEDLO COCC[N@H+](Cc1cn2ccccc2c1C#N)Cc1ccc(C#N)cc1 ZINC000063753996 454445388 /nfs/dbraw/zinc/44/53/88/454445388.db2.gz NTJMRRAXQNNJPR-UHFFFAOYSA-N 1 2 344.418 3.331 20 30 EGEDLO COCC[N@@H+](Cc1cn2ccccc2c1C#N)Cc1ccc(C#N)cc1 ZINC000063753996 454445393 /nfs/dbraw/zinc/44/53/93/454445393.db2.gz NTJMRRAXQNNJPR-UHFFFAOYSA-N 1 2 344.418 3.331 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121683953 454465546 /nfs/dbraw/zinc/46/55/46/454465546.db2.gz ZQFPLHVFIZIEBR-IIBYNOLFSA-N 1 2 349.434 3.133 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121683953 454465549 /nfs/dbraw/zinc/46/55/49/454465549.db2.gz ZQFPLHVFIZIEBR-IIBYNOLFSA-N 1 2 349.434 3.133 20 30 EGEDLO Cn1nncc1C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000092128730 454527860 /nfs/dbraw/zinc/52/78/60/454527860.db2.gz LSXZLONTZZVIRJ-UHFFFAOYSA-N 1 2 335.386 3.028 20 30 EGEDLO Cn1nncc1C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000092128730 454527868 /nfs/dbraw/zinc/52/78/68/454527868.db2.gz LSXZLONTZZVIRJ-UHFFFAOYSA-N 1 2 335.386 3.028 20 30 EGEDLO C=CC[N@@H+](Cc1c(C)cc(Cl)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000092361033 454556270 /nfs/dbraw/zinc/55/62/70/454556270.db2.gz OANMLPCPCVZNCX-HNNXBMFYSA-N 1 2 327.877 3.132 20 30 EGEDLO C=CC[N@H+](Cc1c(C)cc(Cl)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000092361033 454556275 /nfs/dbraw/zinc/55/62/75/454556275.db2.gz OANMLPCPCVZNCX-HNNXBMFYSA-N 1 2 327.877 3.132 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000065425143 454566068 /nfs/dbraw/zinc/56/60/68/454566068.db2.gz NFHYVOGSZSXFCH-NWDGAFQWSA-N 1 2 335.835 3.038 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000065425143 454566074 /nfs/dbraw/zinc/56/60/74/454566074.db2.gz NFHYVOGSZSXFCH-NWDGAFQWSA-N 1 2 335.835 3.038 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCCc1ccccc1C)Cc1cccs1 ZINC000050274379 454578133 /nfs/dbraw/zinc/57/81/33/454578133.db2.gz NRXZYKQRTUUDNG-UHFFFAOYSA-N 1 2 328.481 3.403 20 30 EGEDLO C=CC[N@H+](CC(=O)NCCc1ccccc1C)Cc1cccs1 ZINC000050274379 454578139 /nfs/dbraw/zinc/57/81/39/454578139.db2.gz NRXZYKQRTUUDNG-UHFFFAOYSA-N 1 2 328.481 3.403 20 30 EGEDLO CC(C)(C#N)c1ccccc1C[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000135095411 454633490 /nfs/dbraw/zinc/63/34/90/454633490.db2.gz BQAPGECNWIQBAL-UHFFFAOYSA-N 1 2 337.423 3.039 20 30 EGEDLO C=CCN(CC=C)C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000051783421 454637684 /nfs/dbraw/zinc/63/76/84/454637684.db2.gz NSJWUELZRZKBIL-UHFFFAOYSA-N 1 2 337.379 3.013 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccoc2)c1 ZINC000052442682 454673550 /nfs/dbraw/zinc/67/35/50/454673550.db2.gz WRZPYJKUDVNJPK-UHFFFAOYSA-N 1 2 325.412 3.275 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccoc2)c1 ZINC000052442682 454673554 /nfs/dbraw/zinc/67/35/54/454673554.db2.gz WRZPYJKUDVNJPK-UHFFFAOYSA-N 1 2 325.412 3.275 20 30 EGEDLO N#CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1CC1 ZINC000093091606 454681924 /nfs/dbraw/zinc/68/19/24/454681924.db2.gz NKNJNTOUQQFJEL-UHFFFAOYSA-N 1 2 325.315 3.322 20 30 EGEDLO N#CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1CC1 ZINC000093091606 454681927 /nfs/dbraw/zinc/68/19/27/454681927.db2.gz NKNJNTOUQQFJEL-UHFFFAOYSA-N 1 2 325.315 3.322 20 30 EGEDLO N#CCC[N@@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1ccccn1 ZINC000081159891 454691898 /nfs/dbraw/zinc/69/18/98/454691898.db2.gz GSFSZNZVEIBCIK-UHFFFAOYSA-N 1 2 342.830 3.479 20 30 EGEDLO N#CCC[N@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1ccccn1 ZINC000081159891 454691902 /nfs/dbraw/zinc/69/19/02/454691902.db2.gz GSFSZNZVEIBCIK-UHFFFAOYSA-N 1 2 342.830 3.479 20 30 EGEDLO N#CCC[C@@H](C#N)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000153046670 454755766 /nfs/dbraw/zinc/75/57/66/454755766.db2.gz ILHMRNQWDZVWJB-AWEZNQCLSA-N 1 2 336.361 3.271 20 30 EGEDLO COc1ccc(C[NH2+][C@H](C)c2noc(-c3ccccc3)n2)cc1C#N ZINC000153141246 454763669 /nfs/dbraw/zinc/76/36/69/454763669.db2.gz UYZPHFHIOKKTCD-CYBMUJFWSA-N 1 2 334.379 3.468 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000153196322 454769676 /nfs/dbraw/zinc/76/96/76/454769676.db2.gz CAOJHHJRVCRMNA-UGSOOPFHSA-N 1 2 333.863 3.141 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000153196322 454769679 /nfs/dbraw/zinc/76/96/79/454769679.db2.gz CAOJHHJRVCRMNA-UGSOOPFHSA-N 1 2 333.863 3.141 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[N@H+](Cc3ccncc3)C3CC3)o2)cc1 ZINC000124914508 454782363 /nfs/dbraw/zinc/78/23/63/454782363.db2.gz HHKZQENYZPNWMN-UHFFFAOYSA-N 1 2 331.379 3.168 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[N@@H+](Cc3ccncc3)C3CC3)o2)cc1 ZINC000124914508 454782367 /nfs/dbraw/zinc/78/23/67/454782367.db2.gz HHKZQENYZPNWMN-UHFFFAOYSA-N 1 2 331.379 3.168 20 30 EGEDLO Cc1ccc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000138539100 454794178 /nfs/dbraw/zinc/79/41/78/454794178.db2.gz VUENYILIYDTGSF-UHFFFAOYSA-N 1 2 347.462 3.062 20 30 EGEDLO C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[NH+]1CCC(C#N)CC1 ZINC000142025385 454833465 /nfs/dbraw/zinc/83/34/65/454833465.db2.gz UXAQIFWJVOALSK-AWEZNQCLSA-N 1 2 346.500 3.433 20 30 EGEDLO CC(C)[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1cccnc1 ZINC000125738512 454843339 /nfs/dbraw/zinc/84/33/39/454843339.db2.gz VYNBYFBMSXNTJP-UHFFFAOYSA-N 1 2 333.395 3.414 20 30 EGEDLO CC(C)[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1cccnc1 ZINC000125738512 454843341 /nfs/dbraw/zinc/84/33/41/454843341.db2.gz VYNBYFBMSXNTJP-UHFFFAOYSA-N 1 2 333.395 3.414 20 30 EGEDLO C[C@@H]([NH2+][C@@H](C)c1nccs1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000112544886 454890387 /nfs/dbraw/zinc/89/03/87/454890387.db2.gz HZVBKGKFZUKHCA-ZJUUUORDSA-N 1 2 346.481 3.243 20 30 EGEDLO C[C@@H]1C[N@H+](CCOc2ccccc2C#N)C[C@@H](c2ccsc2)O1 ZINC000246408733 455485471 /nfs/dbraw/zinc/48/54/71/455485471.db2.gz JFCISPNTRJZCCE-KDOFPFPSSA-N 1 2 328.437 3.461 20 30 EGEDLO C[C@@H]1C[N@@H+](CCOc2ccccc2C#N)C[C@@H](c2ccsc2)O1 ZINC000246408733 455485472 /nfs/dbraw/zinc/48/54/72/455485472.db2.gz JFCISPNTRJZCCE-KDOFPFPSSA-N 1 2 328.437 3.461 20 30 EGEDLO N#Cc1ccccc1N1CC[NH+](Cc2cc(-c3ccco3)on2)CC1 ZINC000170646527 454948130 /nfs/dbraw/zinc/94/81/30/454948130.db2.gz MYBIUOJLQNNUGG-UHFFFAOYSA-N 1 2 334.379 3.128 20 30 EGEDLO COc1cc(C[N@H+](C)Cc2cc(C#N)ccc2F)cc2c1OCCO2 ZINC000155398827 454996745 /nfs/dbraw/zinc/99/67/45/454996745.db2.gz KQCQLSAHNQGXGW-UHFFFAOYSA-N 1 2 342.370 3.109 20 30 EGEDLO COc1cc(C[N@@H+](C)Cc2cc(C#N)ccc2F)cc2c1OCCO2 ZINC000155398827 454996749 /nfs/dbraw/zinc/99/67/49/454996749.db2.gz KQCQLSAHNQGXGW-UHFFFAOYSA-N 1 2 342.370 3.109 20 30 EGEDLO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000128048850 455021081 /nfs/dbraw/zinc/02/10/81/455021081.db2.gz QOMMFMIUUAQILJ-LBPRGKRZSA-N 1 2 328.803 3.238 20 30 EGEDLO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000128048850 455021084 /nfs/dbraw/zinc/02/10/84/455021084.db2.gz QOMMFMIUUAQILJ-LBPRGKRZSA-N 1 2 328.803 3.238 20 30 EGEDLO CCc1ccc(C(=O)N2CC[NH+](Cc3cc(C#N)cs3)CC2)cc1 ZINC000179329299 455032995 /nfs/dbraw/zinc/03/29/95/455032995.db2.gz JKPOKODVHSNYHD-UHFFFAOYSA-N 1 2 339.464 3.140 20 30 EGEDLO C=CCCCC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000179421776 455046093 /nfs/dbraw/zinc/04/60/93/455046093.db2.gz KNSMPYBFMRTRFT-SJLPKXTDSA-N 1 2 336.863 3.184 20 30 EGEDLO C=CCCCC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000179421776 455046096 /nfs/dbraw/zinc/04/60/96/455046096.db2.gz KNSMPYBFMRTRFT-SJLPKXTDSA-N 1 2 336.863 3.184 20 30 EGEDLO N#Cc1ccc(N2CCC[C@@H](Sc3[nH+]cc4ccccn43)C2=O)cc1 ZINC000179913210 455098039 /nfs/dbraw/zinc/09/80/39/455098039.db2.gz QXLFTTIEAVWILB-QGZVFWFLSA-N 1 2 348.431 3.494 20 30 EGEDLO CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000152379210 455110128 /nfs/dbraw/zinc/11/01/28/455110128.db2.gz NENASWRKXZXOAU-QAPCUYQASA-N 1 2 336.439 3.124 20 30 EGEDLO C[C@H](C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1)[NH+]1CCSCC1 ZINC000152379748 455110440 /nfs/dbraw/zinc/11/04/40/455110440.db2.gz CERLOZRIYGHNJQ-RHSMWYFYSA-N 1 2 345.512 3.102 20 30 EGEDLO C[C@H](c1cccc(NC(=O)C2(C#N)CCCC2)c1)[NH+]1CCOCC1 ZINC000264154388 455193254 /nfs/dbraw/zinc/19/32/54/455193254.db2.gz AOAUPGNGTNLORK-OAHLLOKOSA-N 1 2 327.428 3.102 20 30 EGEDLO C=CCCC[C@@H](C)NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000182985458 455204701 /nfs/dbraw/zinc/20/47/01/455204701.db2.gz DRXAAHUOHDTCCK-MRXNPFEDSA-N 1 2 331.460 3.385 20 30 EGEDLO CC[N@H+](Cc1cn(Cc2cccnc2)nn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000182997153 455206402 /nfs/dbraw/zinc/20/64/02/455206402.db2.gz LIEYIANPISREFQ-INIZCTEOSA-N 1 2 346.438 3.176 20 30 EGEDLO CC[N@@H+](Cc1cn(Cc2cccnc2)nn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000182997153 455206405 /nfs/dbraw/zinc/20/64/05/455206405.db2.gz LIEYIANPISREFQ-INIZCTEOSA-N 1 2 346.438 3.176 20 30 EGEDLO Cc1nc(N2CC[NH+](CC#Cc3ccc(F)cc3)CC2)sc1C ZINC000157660727 455217201 /nfs/dbraw/zinc/21/72/01/455217201.db2.gz ZYVQNODHANAPHC-UHFFFAOYSA-N 1 2 329.444 3.073 20 30 EGEDLO CCC[C@H](CN(CCC#N)CC[NH+]1CCOCC1)c1ccccc1 ZINC000183373253 455283803 /nfs/dbraw/zinc/28/38/03/455283803.db2.gz JHQSORUGKYVQPD-HXUWFJFHSA-N 1 2 329.488 3.118 20 30 EGEDLO N#Cc1ccc(C[N@@H+](Cc2nc(N)c3ccccc3n2)C2CC2)cc1 ZINC000181152942 455296230 /nfs/dbraw/zinc/29/62/30/455296230.db2.gz WCHYNFVDCYQWEF-UHFFFAOYSA-N 1 2 329.407 3.248 20 30 EGEDLO N#Cc1ccc(C[N@H+](Cc2nc(N)c3ccccc3n2)C2CC2)cc1 ZINC000181152942 455296233 /nfs/dbraw/zinc/29/62/33/455296233.db2.gz WCHYNFVDCYQWEF-UHFFFAOYSA-N 1 2 329.407 3.248 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)N1CCc2sccc2C1 ZINC000173555134 455304232 /nfs/dbraw/zinc/30/42/32/455304232.db2.gz BSDCHYBJJDMPFG-UHFFFAOYSA-N 1 2 333.501 3.285 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)N1CCc2sccc2C1 ZINC000173555134 455304238 /nfs/dbraw/zinc/30/42/38/455304238.db2.gz BSDCHYBJJDMPFG-UHFFFAOYSA-N 1 2 333.501 3.285 20 30 EGEDLO C[C@H](c1ccc(C#N)cc1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000265520330 455337441 /nfs/dbraw/zinc/33/74/41/455337441.db2.gz NXVRBALMDDJYDI-QGZVFWFLSA-N 1 2 330.435 3.309 20 30 EGEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000265616831 455350468 /nfs/dbraw/zinc/35/04/68/455350468.db2.gz IWFRYGKYUZCAKN-HNNXBMFYSA-N 1 2 339.464 3.068 20 30 EGEDLO N#CCc1ccccc1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000600999296 460669372 /nfs/dbraw/zinc/66/93/72/460669372.db2.gz VLZZOLPCSXMACF-UHFFFAOYSA-N 1 2 348.450 3.458 20 30 EGEDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)s1 ZINC000185008529 455485622 /nfs/dbraw/zinc/48/56/22/455485622.db2.gz SSWSCNPXNUXIHO-CQSZACIVSA-N 1 2 328.441 3.049 20 30 EGEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000267084419 455498396 /nfs/dbraw/zinc/49/83/96/455498396.db2.gz YZDSZHNPKPXHJW-UHFFFAOYSA-N 1 2 343.358 3.254 20 30 EGEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000267084419 455498397 /nfs/dbraw/zinc/49/83/97/455498397.db2.gz YZDSZHNPKPXHJW-UHFFFAOYSA-N 1 2 343.358 3.254 20 30 EGEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192031130 455545300 /nfs/dbraw/zinc/54/53/00/455545300.db2.gz XEGRKIRFCLKTRF-IBGZPJMESA-N 1 2 340.398 3.304 20 30 EGEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192031130 455545305 /nfs/dbraw/zinc/54/53/05/455545305.db2.gz XEGRKIRFCLKTRF-IBGZPJMESA-N 1 2 340.398 3.304 20 30 EGEDLO C#CC[C@@H](Nc1cc(N2CCCC[C@H]2CO)nc[nH+]1)c1ccccc1 ZINC000277949700 455717725 /nfs/dbraw/zinc/71/77/25/455717725.db2.gz XPHMJAKYBSLCTI-ZWKOTPCHSA-N 1 2 336.439 3.004 20 30 EGEDLO C#CC[C@@H](Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1)c1ccccc1 ZINC000277949700 455717730 /nfs/dbraw/zinc/71/77/30/455717730.db2.gz XPHMJAKYBSLCTI-ZWKOTPCHSA-N 1 2 336.439 3.004 20 30 EGEDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3C)CC2)cc1 ZINC000186266149 455729817 /nfs/dbraw/zinc/72/98/17/455729817.db2.gz CQGYVFHVNLEDTJ-UHFFFAOYSA-N 1 2 333.435 3.133 20 30 EGEDLO CC(C)[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1nc(C2CC2)no1 ZINC000271994343 455814641 /nfs/dbraw/zinc/81/46/41/455814641.db2.gz GVXVIQXXZAZFLE-MRXNPFEDSA-N 1 2 326.400 3.336 20 30 EGEDLO CN(CCC#N)c1ccc(C[N@@H+]2CC(C)(C)[C@@H]2c2nccn2C)cc1 ZINC000294907373 455832545 /nfs/dbraw/zinc/83/25/45/455832545.db2.gz XUJUWODVDUYJLD-SFHVURJKSA-N 1 2 337.471 3.353 20 30 EGEDLO CN(CCC#N)c1ccc(C[N@H+]2CC(C)(C)[C@@H]2c2nccn2C)cc1 ZINC000294907373 455832548 /nfs/dbraw/zinc/83/25/48/455832548.db2.gz XUJUWODVDUYJLD-SFHVURJKSA-N 1 2 337.471 3.353 20 30 EGEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccccn2)cc1C ZINC000295040474 455836498 /nfs/dbraw/zinc/83/64/98/455836498.db2.gz AIASAYRHWRXZBV-UHFFFAOYSA-N 1 2 336.439 3.077 20 30 EGEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccccn2)cc1C ZINC000295040474 455836499 /nfs/dbraw/zinc/83/64/99/455836499.db2.gz AIASAYRHWRXZBV-UHFFFAOYSA-N 1 2 336.439 3.077 20 30 EGEDLO C[C@@H](Cn1cc[nH+]c1)Nc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000279965913 455879464 /nfs/dbraw/zinc/87/94/64/455879464.db2.gz CRALGUBUDROSCP-AWEZNQCLSA-N 1 2 334.427 3.181 20 30 EGEDLO CCCOc1ccc(/C=[NH+]/C[C@@H]2CCO[C@H]2c2ccnn2C)c(O)c1 ZINC000285618365 455882889 /nfs/dbraw/zinc/88/28/89/455882889.db2.gz VJSWKUVWKMWEQT-IOVBUETRSA-N 1 2 343.427 3.111 20 30 EGEDLO C[C@@H](c1cccc(NC(=O)c2ccc(CC#N)cc2)c1)[NH+]1CCOCC1 ZINC000270282950 455919617 /nfs/dbraw/zinc/91/96/17/455919617.db2.gz JQROJNFLCADBRM-INIZCTEOSA-N 1 2 349.434 3.398 20 30 EGEDLO C=C(C)[C@H]([NH2+]Cc1cc(=O)n2ccsc2n1)c1ccc(F)c(F)c1 ZINC000187772714 455951099 /nfs/dbraw/zinc/95/10/99/455951099.db2.gz FOVJIZZIDFRROS-INIZCTEOSA-N 1 2 347.390 3.441 20 30 EGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@]1(C#N)CC12CCCC2 ZINC000296618150 455990360 /nfs/dbraw/zinc/99/03/60/455990360.db2.gz GZGCCRLYMDMYOP-LJQANCHMSA-N 1 2 328.460 3.158 20 30 EGEDLO Cc1[nH+]c2ccc(Br)cc2c(N2CCO[C@@H](C#N)C2)c1C ZINC000301393377 456105926 /nfs/dbraw/zinc/10/59/26/456105926.db2.gz JFUKMQCPTVUGRO-ZDUSSCGKSA-N 1 2 346.228 3.343 20 30 EGEDLO C=CCc1cc(C[N@@H+]2CCOc3cc(O)ccc3C2)cc(OC)c1O ZINC000289252125 456119623 /nfs/dbraw/zinc/11/96/23/456119623.db2.gz FFCGOIMXFTVRNF-UHFFFAOYSA-N 1 2 341.407 3.230 20 30 EGEDLO C=CCc1cc(C[N@H+]2CCOc3cc(O)ccc3C2)cc(OC)c1O ZINC000289252125 456119625 /nfs/dbraw/zinc/11/96/25/456119625.db2.gz FFCGOIMXFTVRNF-UHFFFAOYSA-N 1 2 341.407 3.230 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000289459263 456126178 /nfs/dbraw/zinc/12/61/78/456126178.db2.gz CHCHRXRGYGUWIN-CYBMUJFWSA-N 1 2 341.440 3.325 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@@]1(C#N)CC13CCCC3)C2 ZINC000333171815 456172202 /nfs/dbraw/zinc/17/22/02/456172202.db2.gz KLNJZBQDLJOWKM-XOBRGWDASA-N 1 2 340.471 3.086 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000263764974 456216449 /nfs/dbraw/zinc/21/64/49/456216449.db2.gz VMQYGFWUEGHBDS-QRWLVFNGSA-N 1 2 349.434 3.131 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000263764974 456216455 /nfs/dbraw/zinc/21/64/55/456216455.db2.gz VMQYGFWUEGHBDS-QRWLVFNGSA-N 1 2 349.434 3.131 20 30 EGEDLO CCCOc1ccc(/C=[NH+]/CCc2cn3c(n2)SCC3)c(O)c1 ZINC000274340900 456256532 /nfs/dbraw/zinc/25/65/32/456256532.db2.gz OUEZOLAQFSCJNW-WOJGMQOQSA-N 1 2 331.441 3.145 20 30 EGEDLO CC(=O)c1ccc(C#N)c(N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000302076843 456280730 /nfs/dbraw/zinc/28/07/30/456280730.db2.gz AGHAENIZDARZHB-UHFFFAOYSA-N 1 2 325.437 3.145 20 30 EGEDLO C#Cc1ccccc1CC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000290339071 456297647 /nfs/dbraw/zinc/29/76/47/456297647.db2.gz XGWXWBLFHXABRI-KRWDZBQOSA-N 1 2 348.446 3.242 20 30 EGEDLO N#Cc1c(C[N@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)cn2ccccc12 ZINC000340201113 456310791 /nfs/dbraw/zinc/31/07/91/456310791.db2.gz IPGOAOUKGSDAJN-JKSUJKDBSA-N 1 2 337.345 3.089 20 30 EGEDLO N#Cc1c(C[N@@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)cn2ccccc12 ZINC000340201113 456310793 /nfs/dbraw/zinc/31/07/93/456310793.db2.gz IPGOAOUKGSDAJN-JKSUJKDBSA-N 1 2 337.345 3.089 20 30 EGEDLO N#Cc1c(C[N@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)cn2ccccc12 ZINC000340201111 456311734 /nfs/dbraw/zinc/31/17/34/456311734.db2.gz IPGOAOUKGSDAJN-HOTGVXAUSA-N 1 2 337.345 3.089 20 30 EGEDLO N#Cc1c(C[N@@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)cn2ccccc12 ZINC000340201111 456311741 /nfs/dbraw/zinc/31/17/41/456311741.db2.gz IPGOAOUKGSDAJN-HOTGVXAUSA-N 1 2 337.345 3.089 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)Nc1ccccc1C)Cc1ccc(CO)o1 ZINC000352791864 456313985 /nfs/dbraw/zinc/31/39/85/456313985.db2.gz JKWXOYNZTZQIEQ-UHFFFAOYSA-N 1 2 328.412 3.097 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccccc1C)Cc1ccc(CO)o1 ZINC000352791864 456313989 /nfs/dbraw/zinc/31/39/89/456313989.db2.gz JKWXOYNZTZQIEQ-UHFFFAOYSA-N 1 2 328.412 3.097 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000352797487 456318956 /nfs/dbraw/zinc/31/89/56/456318956.db2.gz IMEOXKJKKLUZEK-SFHVURJKSA-N 1 2 348.487 3.187 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000352797487 456318960 /nfs/dbraw/zinc/31/89/60/456318960.db2.gz IMEOXKJKKLUZEK-SFHVURJKSA-N 1 2 348.487 3.187 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2csc(-c3ccccc3)n2)C1=O ZINC000337180440 456334875 /nfs/dbraw/zinc/33/48/75/456334875.db2.gz LXEKVKNFGPUJEO-MRXNPFEDSA-N 1 2 327.453 3.029 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2csc(-c3ccccc3)n2)C1=O ZINC000337180440 456334880 /nfs/dbraw/zinc/33/48/80/456334880.db2.gz LXEKVKNFGPUJEO-MRXNPFEDSA-N 1 2 327.453 3.029 20 30 EGEDLO Cc1cc(F)cc2c1C[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)CC2 ZINC000337425767 456352627 /nfs/dbraw/zinc/35/26/27/456352627.db2.gz WRTXPYMSNYBMPC-UHFFFAOYSA-N 1 2 343.446 3.177 20 30 EGEDLO Cc1cc(F)cc2c1C[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)CC2 ZINC000337425767 456352633 /nfs/dbraw/zinc/35/26/33/456352633.db2.gz WRTXPYMSNYBMPC-UHFFFAOYSA-N 1 2 343.446 3.177 20 30 EGEDLO Cc1ccc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)nc1C#N ZINC000302705881 456378796 /nfs/dbraw/zinc/37/87/96/456378796.db2.gz JQBAHBXSZFONIB-UHFFFAOYSA-N 1 2 332.860 3.299 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000352874966 456382011 /nfs/dbraw/zinc/38/20/11/456382011.db2.gz IXEGEUUFRMAOET-CGZBRXJRSA-N 1 2 348.487 3.233 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000352874966 456382019 /nfs/dbraw/zinc/38/20/19/456382019.db2.gz IXEGEUUFRMAOET-CGZBRXJRSA-N 1 2 348.487 3.233 20 30 EGEDLO C[N@H+](Cc1ccc(F)c(F)c1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000298202989 456389040 /nfs/dbraw/zinc/38/90/40/456389040.db2.gz LFUKEGVPYMJQAO-GOSISDBHSA-N 1 2 341.361 3.074 20 30 EGEDLO C[N@@H+](Cc1ccc(F)c(F)c1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000298202989 456389049 /nfs/dbraw/zinc/38/90/49/456389049.db2.gz LFUKEGVPYMJQAO-GOSISDBHSA-N 1 2 341.361 3.074 20 30 EGEDLO N#CC1CC[NH+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000352975048 456426228 /nfs/dbraw/zinc/42/62/28/456426228.db2.gz UBMZKHORBYTLPS-UHFFFAOYSA-N 1 2 336.226 3.310 20 30 EGEDLO CCc1nnc([C@@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)o1 ZINC000353028355 456447722 /nfs/dbraw/zinc/44/77/22/456447722.db2.gz ZYFHQZQGLWSQFE-GFCCVEGCSA-N 1 2 344.390 3.247 20 30 EGEDLO CC[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1c(C)noc1C ZINC000348281233 456594362 /nfs/dbraw/zinc/59/43/62/456594362.db2.gz KURJYKIJPALTRM-OAHLLOKOSA-N 1 2 337.383 3.454 20 30 EGEDLO C[C@H](c1cnccn1)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348304657 456607653 /nfs/dbraw/zinc/60/76/53/456607653.db2.gz HYINJMOJWVAERG-RDTXWAMCSA-N 1 2 341.846 3.073 20 30 EGEDLO Cc1cncc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC000348320457 456620228 /nfs/dbraw/zinc/62/02/28/456620228.db2.gz MVMIJIQFRRLERV-IBGZPJMESA-N 1 2 340.858 3.426 20 30 EGEDLO Cc1nnc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2Br)s1 ZINC000276944867 456626842 /nfs/dbraw/zinc/62/68/42/456626842.db2.gz SSLWTFMYFPPGQA-MRVPVSSYSA-N 1 2 337.246 3.332 20 30 EGEDLO Cc1cccc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)n1 ZINC000348333574 456631612 /nfs/dbraw/zinc/63/16/12/456631612.db2.gz ZOELUAPMMMUVBK-IBGZPJMESA-N 1 2 340.858 3.426 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000299305679 456653608 /nfs/dbraw/zinc/65/36/08/456653608.db2.gz DHNKIMHUSPRLSJ-ACJLOTCBSA-N 1 2 344.484 3.344 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000299305679 456653612 /nfs/dbraw/zinc/65/36/12/456653612.db2.gz DHNKIMHUSPRLSJ-ACJLOTCBSA-N 1 2 344.484 3.344 20 30 EGEDLO Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000328934365 456795823 /nfs/dbraw/zinc/79/58/23/456795823.db2.gz PZBCYROAAHVSQM-IKGGRYGDSA-N 1 2 348.491 3.164 20 30 EGEDLO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)c1 ZINC000329002663 456810494 /nfs/dbraw/zinc/81/04/94/456810494.db2.gz XVFCRGXFZGLOOC-OIISXLGYSA-N 1 2 344.459 3.052 20 30 EGEDLO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)c1 ZINC000329002663 456810498 /nfs/dbraw/zinc/81/04/98/456810498.db2.gz XVFCRGXFZGLOOC-OIISXLGYSA-N 1 2 344.459 3.052 20 30 EGEDLO COc1nc2ccc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)cc2s1 ZINC000329095559 456833357 /nfs/dbraw/zinc/83/33/57/456833357.db2.gz KWNATVMFBYSJNJ-SNVBAGLBSA-N 1 2 328.397 3.352 20 30 EGEDLO C[C@@H]1CCSCC[N@@H+]1CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000329169405 456847771 /nfs/dbraw/zinc/84/77/71/456847771.db2.gz JDHHVJAVMRYWDO-SNVBAGLBSA-N 1 2 328.507 3.251 20 30 EGEDLO C[C@@H]1CCSCC[N@H+]1CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000329169405 456847774 /nfs/dbraw/zinc/84/77/74/456847774.db2.gz JDHHVJAVMRYWDO-SNVBAGLBSA-N 1 2 328.507 3.251 20 30 EGEDLO O=C(N[C@@H]1CCCOc2c(F)cccc21)[C@H]1CCn2c[nH+]cc2C1 ZINC000329240354 456859059 /nfs/dbraw/zinc/85/90/59/456859059.db2.gz MQGSWJPREPFUSJ-BLLLJJGKSA-N 1 2 329.375 3.455 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000292137677 456865127 /nfs/dbraw/zinc/86/51/27/456865127.db2.gz DPQKENZEDWBSOD-UHFFFAOYSA-N 1 2 334.435 3.081 20 30 EGEDLO COc1cccc2c1CC[N@H+](CC(=O)Nc1nc3c(s1)CCC3)C2 ZINC000329325039 456872645 /nfs/dbraw/zinc/87/26/45/456872645.db2.gz VWNWMRVMUVAKGU-UHFFFAOYSA-N 1 2 343.452 3.287 20 30 EGEDLO COc1cccc2c1CC[N@@H+](CC(=O)Nc1nc3c(s1)CCC3)C2 ZINC000329325039 456872649 /nfs/dbraw/zinc/87/26/49/456872649.db2.gz VWNWMRVMUVAKGU-UHFFFAOYSA-N 1 2 343.452 3.287 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)C[C@H]1CCCC(=O)N1)C2 ZINC000329323288 456872988 /nfs/dbraw/zinc/87/29/88/456872988.db2.gz HLFYTEBLGVUTAB-OLZOCXBDSA-N 1 2 332.448 3.351 20 30 EGEDLO Cc1ccsc1CCNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000329337207 456874679 /nfs/dbraw/zinc/87/46/79/456874679.db2.gz YFGFZRQRJZLEOY-DZGCQCFKSA-N 1 2 332.473 3.293 20 30 EGEDLO Cc1ccsc1CC[NH+]=C([O-])N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000329337207 456874681 /nfs/dbraw/zinc/87/46/81/456874681.db2.gz YFGFZRQRJZLEOY-DZGCQCFKSA-N 1 2 332.473 3.293 20 30 EGEDLO CCC1(C)CCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CC1 ZINC000329356275 456878071 /nfs/dbraw/zinc/87/80/71/456878071.db2.gz WCZNSKBPWVIBPT-INIZCTEOSA-N 1 2 348.491 3.314 20 30 EGEDLO CSc1cc2c(cc1NC(=O)[C@@H]1CCn3c[nH+]cc3C1)OCCO2 ZINC000329495859 456900948 /nfs/dbraw/zinc/90/09/48/456900948.db2.gz XDWJXKALSMDNFG-LLVKDONJSA-N 1 2 345.424 3.227 20 30 EGEDLO Cc1cc(NC(=O)[C@@H]2CCCN2C(N)=O)c[nH+]c1N1CCCC[C@@H]1C ZINC000329522857 456904054 /nfs/dbraw/zinc/90/40/54/456904054.db2.gz RIAHJHQDSZZJRV-ZFWWWQNUSA-N 1 2 345.447 3.314 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccon1 ZINC000349249033 456923510 /nfs/dbraw/zinc/92/35/10/456923510.db2.gz WOSKXXSHNFRYKV-STQMWFEESA-N 1 2 344.440 3.358 20 30 EGEDLO C[C@]1(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CCOC1 ZINC000329663840 456924258 /nfs/dbraw/zinc/92/42/58/456924258.db2.gz JPNKNDHDWAYPIT-IBGZPJMESA-N 1 2 345.443 3.122 20 30 EGEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+]C[C@@H]2CCCSC2)C1 ZINC000329705912 456930307 /nfs/dbraw/zinc/93/03/07/456930307.db2.gz KRPHIYYDWDZUHD-LSDHHAIUSA-N 1 2 336.505 3.140 20 30 EGEDLO CC(=O)Nc1cccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000329740460 456934429 /nfs/dbraw/zinc/93/44/29/456934429.db2.gz VKBAIWVJYGCZGP-JKSUJKDBSA-N 1 2 342.399 3.270 20 30 EGEDLO CC(=O)Nc1cccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000329740460 456934434 /nfs/dbraw/zinc/93/44/34/456934434.db2.gz VKBAIWVJYGCZGP-JKSUJKDBSA-N 1 2 342.399 3.270 20 30 EGEDLO C=CC[C@H](CO)CNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000341777075 456939764 /nfs/dbraw/zinc/93/97/64/456939764.db2.gz XEVZEARPLFONOS-AWEZNQCLSA-N 1 2 327.384 3.180 20 30 EGEDLO CCc1nn(C)c(CC)c1CC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000330067106 456980542 /nfs/dbraw/zinc/98/05/42/456980542.db2.gz UEBZAHZDTJZVOA-CQSZACIVSA-N 1 2 343.475 3.126 20 30 EGEDLO Cc1nc([C@H]2CCCN2C(=O)NC[C@@H]2CCCn3cc[nH+]c32)cs1 ZINC000330074461 456981018 /nfs/dbraw/zinc/98/10/18/456981018.db2.gz FQTQYJRUJUVSDN-DZGCQCFKSA-N 1 2 345.472 3.277 20 30 EGEDLO CC(C)C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330093799 456983936 /nfs/dbraw/zinc/98/39/36/456983936.db2.gz RZLGWANMFXYLAC-CVEARBPZSA-N 1 2 334.464 3.097 20 30 EGEDLO CC(=O)N[C@H](C)C1CC[NH+](Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000330167748 456994800 /nfs/dbraw/zinc/99/48/00/456994800.db2.gz VZODBDLXKDGDPN-GFCCVEGCSA-N 1 2 331.464 3.067 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@H]2CCCCC(F)(F)C2)C1 ZINC000330210412 457003462 /nfs/dbraw/zinc/00/34/62/457003462.db2.gz IIQXNRQOUDHTJK-UONOGXRCSA-N 1 2 340.418 3.339 20 30 EGEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000345945766 457008566 /nfs/dbraw/zinc/00/85/66/457008566.db2.gz GEWOBQPFAXAIBX-IRXDYDNUSA-N 1 2 340.423 3.453 20 30 EGEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000345945766 457008571 /nfs/dbraw/zinc/00/85/71/457008571.db2.gz GEWOBQPFAXAIBX-IRXDYDNUSA-N 1 2 340.423 3.453 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCC1CCSCC1 ZINC000330243330 457010627 /nfs/dbraw/zinc/01/06/27/457010627.db2.gz CPOXIUJFXPNVME-HNNXBMFYSA-N 1 2 336.505 3.487 20 30 EGEDLO C[C@H](C1CC1)n1cc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000330257004 457014952 /nfs/dbraw/zinc/01/49/52/457014952.db2.gz QKLOUBAZUHJMRU-TZMCWYRMSA-N 1 2 328.420 3.002 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000330277207 457019983 /nfs/dbraw/zinc/01/99/83/457019983.db2.gz NXTGCMPAXODSCV-BBRMVZONSA-N 1 2 344.463 3.007 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H](C)[C@H]1CCCCO1 ZINC000330279903 457021170 /nfs/dbraw/zinc/02/11/70/457021170.db2.gz RTBBYEJWEGIGTB-OWCLPIDISA-N 1 2 334.464 3.302 20 30 EGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@H]2Cc3ccccc3S2)CCO1 ZINC000330329649 457029556 /nfs/dbraw/zinc/02/95/56/457029556.db2.gz MSOWTQCVLDSFIG-UKPHBRMFSA-N 1 2 343.452 3.314 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2coc(-c3ccc(C)cc3)n2)CC1 ZINC000341988955 457043711 /nfs/dbraw/zinc/04/37/11/457043711.db2.gz KROZKKIJVZPJMS-UHFFFAOYSA-N 1 2 325.412 3.402 20 30 EGEDLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000330516767 457052459 /nfs/dbraw/zinc/05/24/59/457052459.db2.gz MKJCLCRAYDWTRX-FQEVSTJZSA-N 1 2 343.471 3.051 20 30 EGEDLO CC[C@@]1(C)COCC[N@H+]1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000330516767 457052462 /nfs/dbraw/zinc/05/24/62/457052462.db2.gz MKJCLCRAYDWTRX-FQEVSTJZSA-N 1 2 343.471 3.051 20 30 EGEDLO COCC1(C#N)CC[NH+]([C@@H](C)c2nc(-c3ccccc3C)no2)CC1 ZINC000342004340 457054992 /nfs/dbraw/zinc/05/49/92/457054992.db2.gz YDEPWRLZZOFZMW-HNNXBMFYSA-N 1 2 340.427 3.358 20 30 EGEDLO C=CCOc1ccc(C(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000354128265 457082153 /nfs/dbraw/zinc/08/21/53/457082153.db2.gz TXNLXHLQEDMWMN-UHFFFAOYSA-N 1 2 325.412 3.269 20 30 EGEDLO N#Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)s1 ZINC000362897434 457146817 /nfs/dbraw/zinc/14/68/17/457146817.db2.gz WEYCTVFDIORMRI-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO N#Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)s1 ZINC000362897434 457146820 /nfs/dbraw/zinc/14/68/20/457146820.db2.gz WEYCTVFDIORMRI-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO N#CCCCC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000359918858 457147726 /nfs/dbraw/zinc/14/77/26/457147726.db2.gz SDJXOFRHFRAUND-UHFFFAOYSA-N 1 2 340.452 3.334 20 30 EGEDLO N#CCCCC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000359918858 457147735 /nfs/dbraw/zinc/14/77/35/457147735.db2.gz SDJXOFRHFRAUND-UHFFFAOYSA-N 1 2 340.452 3.334 20 30 EGEDLO C[C@@H](CNC(=O)c1cc(Br)cc(Cl)c1O)[NH+](C)C ZINC000331245744 457153594 /nfs/dbraw/zinc/15/35/94/457153594.db2.gz UDVRBACFYFHPGW-ZETCQYMHSA-N 1 2 335.629 3.063 20 30 EGEDLO Cc1cc(C)c(NC(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)c(C)[nH+]1 ZINC000331290294 457161334 /nfs/dbraw/zinc/16/13/34/457161334.db2.gz BCOOFOJXGHQEGO-MRXNPFEDSA-N 1 2 346.475 3.037 20 30 EGEDLO C=CC1CC[NH+](CC(=O)Nc2sc(C)cc2C(=O)OCC)CC1 ZINC000346979351 457194797 /nfs/dbraw/zinc/19/47/97/457194797.db2.gz YFLSFAHMDYVWCL-UHFFFAOYSA-N 1 2 336.457 3.070 20 30 EGEDLO C[C@@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)c1cccc(C#N)c1 ZINC000360033866 457215217 /nfs/dbraw/zinc/21/52/17/457215217.db2.gz VIQDXJSFADAVBJ-OAHLLOKOSA-N 1 2 330.391 3.164 20 30 EGEDLO N#C[C@H](C(=O)c1ccc2c[nH+]cn2c1)c1nc(-c2ccncc2)cs1 ZINC000342335823 457243282 /nfs/dbraw/zinc/24/32/82/457243282.db2.gz VRVFMNKLCJQEOX-OAHLLOKOSA-N 1 2 345.387 3.343 20 30 EGEDLO C=CCOCCCC(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000342390881 457275701 /nfs/dbraw/zinc/27/57/01/457275701.db2.gz FJKRYMQACUSODP-INIZCTEOSA-N 1 2 334.435 3.014 20 30 EGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](C)c2cccc(C#N)c2)c1C ZINC000360155964 457279316 /nfs/dbraw/zinc/27/93/16/457279316.db2.gz NZKLMERRBKLQAJ-AWEZNQCLSA-N 1 2 337.423 3.341 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000347199584 457285126 /nfs/dbraw/zinc/28/51/26/457285126.db2.gz MXZSUGQNMPVRFR-UHFFFAOYSA-N 1 2 335.245 3.323 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000347199584 457285133 /nfs/dbraw/zinc/28/51/33/457285133.db2.gz MXZSUGQNMPVRFR-UHFFFAOYSA-N 1 2 335.245 3.323 20 30 EGEDLO Cn1cccc1C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000355275275 457353725 /nfs/dbraw/zinc/35/37/25/457353725.db2.gz DKEUCTWITGHNJJ-SFHVURJKSA-N 1 2 328.847 3.061 20 30 EGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CCC(F)(F)F ZINC000355431882 457372815 /nfs/dbraw/zinc/37/28/15/457372815.db2.gz CCHAONAFCALUPZ-CYBMUJFWSA-N 1 2 327.350 3.206 20 30 EGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CCC(F)(F)F ZINC000355431882 457372818 /nfs/dbraw/zinc/37/28/18/457372818.db2.gz CCHAONAFCALUPZ-CYBMUJFWSA-N 1 2 327.350 3.206 20 30 EGEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)c2cccs2)CC1 ZINC000378108596 457375521 /nfs/dbraw/zinc/37/55/21/457375521.db2.gz HCUJARXPJZSLGO-UHFFFAOYSA-N 1 2 343.427 3.153 20 30 EGEDLO Cc1cccc2[nH+]c(CNC(=O)C[C@H](CC#N)c3ccccc3)cn21 ZINC000355830122 457421572 /nfs/dbraw/zinc/42/15/72/457421572.db2.gz KLQSNTJHMPKOLT-KRWDZBQOSA-N 1 2 332.407 3.347 20 30 EGEDLO C=CCCC1(C(=O)N(C)C[C@H]2OCC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000347441799 457430669 /nfs/dbraw/zinc/43/06/69/457430669.db2.gz BZXSKFCPPBCBPQ-RTBURBONSA-N 1 2 342.483 3.263 20 30 EGEDLO C=CCCC1(C(=O)N(C)C[C@H]2OCC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000347441799 457430677 /nfs/dbraw/zinc/43/06/77/457430677.db2.gz BZXSKFCPPBCBPQ-RTBURBONSA-N 1 2 342.483 3.263 20 30 EGEDLO Cc1cc(C)c(C#N)c(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)n1 ZINC000357325150 457446841 /nfs/dbraw/zinc/44/68/41/457446841.db2.gz UAIYIVYCJLQCJL-IBGZPJMESA-N 1 2 336.439 3.056 20 30 EGEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000374132226 457489471 /nfs/dbraw/zinc/48/94/71/457489471.db2.gz PZTYBMUPEKKGRT-MRXNPFEDSA-N 1 2 341.436 3.022 20 30 EGEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000374132226 457489481 /nfs/dbraw/zinc/48/94/81/457489481.db2.gz PZTYBMUPEKKGRT-MRXNPFEDSA-N 1 2 341.436 3.022 20 30 EGEDLO Cc1oc(C#N)cc1C(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000425306275 457489445 /nfs/dbraw/zinc/48/94/45/457489445.db2.gz ACVPLPKKFHKGCP-UHFFFAOYSA-N 1 2 348.406 3.431 20 30 EGEDLO CC[NH+](CC)Cc1ccc(C(O)=C(C#N)c2cc(C)nc(C)n2)cc1 ZINC000347578555 457522249 /nfs/dbraw/zinc/52/22/49/457522249.db2.gz OFFGOQMOWBNDTN-GOSISDBHSA-N 1 2 336.439 3.425 20 30 EGEDLO C[C@@H]1CC(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@@H](C)C1 ZINC000356197402 457524307 /nfs/dbraw/zinc/52/43/07/457524307.db2.gz JBLGJEQHPDWWAV-IRXDYDNUSA-N 1 2 339.483 3.275 20 30 EGEDLO C=CCCC[C@@H](C)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000342793199 457531579 /nfs/dbraw/zinc/53/15/79/457531579.db2.gz YUFYMFSDDAZKDY-MRXNPFEDSA-N 1 2 326.444 3.475 20 30 EGEDLO Cc1ccc(C)c(NC(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000374331638 457588262 /nfs/dbraw/zinc/58/82/62/457588262.db2.gz ZJBTXPYBNUGHPB-UHFFFAOYSA-N 1 2 348.450 3.194 20 30 EGEDLO COc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1F ZINC000374348047 457593153 /nfs/dbraw/zinc/59/31/53/457593153.db2.gz WQPAQCKHEQFEQV-GOSISDBHSA-N 1 2 326.371 3.279 20 30 EGEDLO COc1cccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1F ZINC000374348047 457593160 /nfs/dbraw/zinc/59/31/60/457593160.db2.gz WQPAQCKHEQFEQV-GOSISDBHSA-N 1 2 326.371 3.279 20 30 EGEDLO N#CC[C@@H](CC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000356410315 457612496 /nfs/dbraw/zinc/61/24/96/457612496.db2.gz PTYUPOKBKRPHDN-HKUYNNGSSA-N 1 2 335.407 3.149 20 30 EGEDLO CC(C)[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1cccnc1 ZINC000357609098 457621030 /nfs/dbraw/zinc/62/10/30/457621030.db2.gz BFVRTTMUIRYTHY-UHFFFAOYSA-N 1 2 333.395 3.414 20 30 EGEDLO CC(C)[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1cccnc1 ZINC000357609098 457621034 /nfs/dbraw/zinc/62/10/34/457621034.db2.gz BFVRTTMUIRYTHY-UHFFFAOYSA-N 1 2 333.395 3.414 20 30 EGEDLO C[C@@H]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000356435953 457624156 /nfs/dbraw/zinc/62/41/56/457624156.db2.gz YLXURCIZBKUXOS-NEWSRXKRSA-N 1 2 336.439 3.380 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CCOC[C@H]2CCOC)cc1Cl ZINC000361229607 457657877 /nfs/dbraw/zinc/65/78/77/457657877.db2.gz RIJJRPWCCMRPGL-OAHLLOKOSA-N 1 2 325.836 3.142 20 30 EGEDLO Cn1cc(C[N@@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)cc1C#N ZINC000365263536 457734369 /nfs/dbraw/zinc/73/43/69/457734369.db2.gz CUHKYAVVNOKWFY-KRWDZBQOSA-N 1 2 347.365 3.072 20 30 EGEDLO Cn1cc(C[N@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)cc1C#N ZINC000365263536 457734372 /nfs/dbraw/zinc/73/43/72/457734372.db2.gz CUHKYAVVNOKWFY-KRWDZBQOSA-N 1 2 347.365 3.072 20 30 EGEDLO CC1CCN(c2ccc(CNC(=O)NCC(C)(C)CC#N)c[nH+]2)CC1 ZINC000457641244 457776171 /nfs/dbraw/zinc/77/61/71/457776171.db2.gz AOPVCWJKNPBETO-UHFFFAOYSA-N 1 2 343.475 3.057 20 30 EGEDLO N#C[C@H](CCc1ccccc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000433232894 457785668 /nfs/dbraw/zinc/78/56/68/457785668.db2.gz NFWLNHLRDGRCFO-IBGZPJMESA-N 1 2 348.450 3.071 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+](C)CC(C)(C)C#N ZINC000433297946 457802643 /nfs/dbraw/zinc/80/26/43/457802643.db2.gz XXVOLTZUJMKFSA-NSHDSACASA-N 1 2 338.249 3.258 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+](C)CC(C)(C)C#N ZINC000433297946 457802648 /nfs/dbraw/zinc/80/26/48/457802648.db2.gz XXVOLTZUJMKFSA-NSHDSACASA-N 1 2 338.249 3.258 20 30 EGEDLO N#CCc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000371163921 457814351 /nfs/dbraw/zinc/81/43/51/457814351.db2.gz LBTPEXXOMAMQEQ-UHFFFAOYSA-N 1 2 334.354 3.007 20 30 EGEDLO COc1cc(NCc2ccc(C#N)c(C)c2)[nH+]cc1Br ZINC000443998299 457838560 /nfs/dbraw/zinc/83/85/60/457838560.db2.gz OPTUKTUXCWIVIQ-UHFFFAOYSA-N 1 2 332.201 3.067 20 30 EGEDLO N#Cc1c[nH]c(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC000371364774 457886625 /nfs/dbraw/zinc/88/66/25/457886625.db2.gz PVLHLYTZFMDBEI-UHFFFAOYSA-N 1 2 329.363 3.054 20 30 EGEDLO N#Cc1ccccc1N1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000427000830 457934255 /nfs/dbraw/zinc/93/42/55/457934255.db2.gz GDNIURDUWKISQV-UHFFFAOYSA-N 1 2 335.838 3.385 20 30 EGEDLO CN(C)c1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1F ZINC000371458382 457941208 /nfs/dbraw/zinc/94/12/08/457941208.db2.gz KHCZFXLNLHTZNE-HXUWFJFHSA-N 1 2 339.414 3.337 20 30 EGEDLO CN(C)c1ccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1F ZINC000371458382 457941214 /nfs/dbraw/zinc/94/12/14/457941214.db2.gz KHCZFXLNLHTZNE-HXUWFJFHSA-N 1 2 339.414 3.337 20 30 EGEDLO C=C(C)C[N@@H+](Cc1csc(C(=O)OC)c1)Cc1ccc(CO)o1 ZINC000411714886 457959093 /nfs/dbraw/zinc/95/90/93/457959093.db2.gz ACAJTRYWUXIOQR-UHFFFAOYSA-N 1 2 335.425 3.198 20 30 EGEDLO C=C(C)C[N@H+](Cc1csc(C(=O)OC)c1)Cc1ccc(CO)o1 ZINC000411714886 457959097 /nfs/dbraw/zinc/95/90/97/457959097.db2.gz ACAJTRYWUXIOQR-UHFFFAOYSA-N 1 2 335.425 3.198 20 30 EGEDLO C=C(CC)C[N@@H+]1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000361936290 457966900 /nfs/dbraw/zinc/96/69/00/457966900.db2.gz KIVVEWDGMMPORG-AWEZNQCLSA-N 1 2 328.334 3.024 20 30 EGEDLO C=C(CC)C[N@H+]1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000361936290 457966901 /nfs/dbraw/zinc/96/69/01/457966901.db2.gz KIVVEWDGMMPORG-AWEZNQCLSA-N 1 2 328.334 3.024 20 30 EGEDLO C=CCCC[N@@H+]1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000361964756 457981366 /nfs/dbraw/zinc/98/13/66/457981366.db2.gz BZJMSDJGDWFKJL-CQSZACIVSA-N 1 2 328.334 3.024 20 30 EGEDLO C=CCCC[N@H+]1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000361964756 457981371 /nfs/dbraw/zinc/98/13/71/457981371.db2.gz BZJMSDJGDWFKJL-CQSZACIVSA-N 1 2 328.334 3.024 20 30 EGEDLO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)C1 ZINC000371782493 458071413 /nfs/dbraw/zinc/07/14/13/458071413.db2.gz XZLQEBVYELUEIF-QRQLOZEOSA-N 1 2 325.456 3.017 20 30 EGEDLO C[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)C1 ZINC000371782493 458071418 /nfs/dbraw/zinc/07/14/18/458071418.db2.gz XZLQEBVYELUEIF-QRQLOZEOSA-N 1 2 325.456 3.017 20 30 EGEDLO CC(C)c1nc(NC2CCC(Oc3ncccc3C#N)CC2)cc[nH+]1 ZINC000445675484 458076528 /nfs/dbraw/zinc/07/65/28/458076528.db2.gz YEWIDPYRIGIEOM-UHFFFAOYSA-N 1 2 337.427 3.091 20 30 EGEDLO CCC(=O)N1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000371886534 458110174 /nfs/dbraw/zinc/11/01/74/458110174.db2.gz VPVZKBREQQYVIJ-UHFFFAOYSA-N 1 2 338.373 3.001 20 30 EGEDLO CCC(=O)N1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000371886534 458110178 /nfs/dbraw/zinc/11/01/78/458110178.db2.gz VPVZKBREQQYVIJ-UHFFFAOYSA-N 1 2 338.373 3.001 20 30 EGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cc(-c3ccco3)on2)CC1 ZINC000369205712 458123279 /nfs/dbraw/zinc/12/32/79/458123279.db2.gz KNXBYVFVKNESID-UHFFFAOYSA-N 1 2 334.379 3.387 20 30 EGEDLO C=C(C)CS(=O)(=O)N(Cc1ccc(OC)cc1)c1cc[nH+]cc1 ZINC000435427122 458144861 /nfs/dbraw/zinc/14/48/61/458144861.db2.gz LERGGUDYGZOKKL-UHFFFAOYSA-N 1 2 332.425 3.003 20 30 EGEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000369314007 458169080 /nfs/dbraw/zinc/16/90/80/458169080.db2.gz JDVQTASGXMGRHA-NRFANRHFSA-N 1 2 335.451 3.270 20 30 EGEDLO Cc1ccc2[nH+]c(CNC(=O)C[C@H](CC#N)c3ccccc3)cn2c1 ZINC000358766853 458203110 /nfs/dbraw/zinc/20/31/10/458203110.db2.gz NIIUDBOGQYBEQC-KRWDZBQOSA-N 1 2 332.407 3.347 20 30 EGEDLO CC[C@@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H](C)O1 ZINC000447043584 458258446 /nfs/dbraw/zinc/25/84/46/458258446.db2.gz BNIQRSPLEJUSBR-UKRRQHHQSA-N 1 2 327.346 3.436 20 30 EGEDLO CC[C@@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H](C)O1 ZINC000447043584 458258451 /nfs/dbraw/zinc/25/84/51/458258451.db2.gz BNIQRSPLEJUSBR-UKRRQHHQSA-N 1 2 327.346 3.436 20 30 EGEDLO Cc1cc(C(F)(F)F)c(C#N)c(SCC[N@H+]2CCOC[C@@H]2C)n1 ZINC000412985020 458289263 /nfs/dbraw/zinc/28/92/63/458289263.db2.gz DOBXXWMMXWXNBF-NSHDSACASA-N 1 2 345.390 3.093 20 30 EGEDLO Cc1cc(C(F)(F)F)c(C#N)c(SCC[N@@H+]2CCOC[C@@H]2C)n1 ZINC000412985020 458289269 /nfs/dbraw/zinc/28/92/69/458289269.db2.gz DOBXXWMMXWXNBF-NSHDSACASA-N 1 2 345.390 3.093 20 30 EGEDLO C=CCn1c(=[NH2+])[n-]nc1SCc1cccc(C[NH+]2CCCCC2)c1 ZINC000412990435 458290365 /nfs/dbraw/zinc/29/03/65/458290365.db2.gz HZQRYEDNWOHCQI-UHFFFAOYSA-N 1 2 343.500 3.155 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000448649066 458404035 /nfs/dbraw/zinc/40/40/35/458404035.db2.gz GIMHNOSNHAFJKE-KYJSFNMBSA-N 1 2 348.874 3.136 20 30 EGEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000430224675 458424141 /nfs/dbraw/zinc/42/41/41/458424141.db2.gz WFMLOWNFSHKRHX-HNNXBMFYSA-N 1 2 337.261 3.197 20 30 EGEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000430224675 458424144 /nfs/dbraw/zinc/42/41/44/458424144.db2.gz WFMLOWNFSHKRHX-HNNXBMFYSA-N 1 2 337.261 3.197 20 30 EGEDLO C=CCn1cc(C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)nn1 ZINC000424172457 458576273 /nfs/dbraw/zinc/57/62/73/458576273.db2.gz OBCSJSMBWWOZPS-UHFFFAOYSA-N 1 2 328.750 3.009 20 30 EGEDLO CCOC(=O)C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C(C)C ZINC000469751291 458588070 /nfs/dbraw/zinc/58/80/70/458588070.db2.gz IBCPBZOFIIMNPN-UHFFFAOYSA-N 1 2 343.345 3.210 20 30 EGEDLO CCOC(=O)C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C(C)C ZINC000469751291 458588072 /nfs/dbraw/zinc/58/80/72/458588072.db2.gz IBCPBZOFIIMNPN-UHFFFAOYSA-N 1 2 343.345 3.210 20 30 EGEDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455696280 458607175 /nfs/dbraw/zinc/60/71/75/458607175.db2.gz BYVSRBSGLWFREW-UHFFFAOYSA-N 1 2 331.807 3.157 20 30 EGEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(Br)c(F)c2)nn1 ZINC000424297528 458608510 /nfs/dbraw/zinc/60/85/10/458608510.db2.gz QVBBQXYMLAZZGH-SNVBAGLBSA-N 1 2 339.212 3.217 20 30 EGEDLO CC1(C)CNC(=O)C[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000502561201 458657871 /nfs/dbraw/zinc/65/78/71/458657871.db2.gz BTAPSLAVSYVCBP-UHFFFAOYSA-N 1 2 347.462 3.097 20 30 EGEDLO CC1(C)CNC(=O)C[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000502561201 458657875 /nfs/dbraw/zinc/65/78/75/458657875.db2.gz BTAPSLAVSYVCBP-UHFFFAOYSA-N 1 2 347.462 3.097 20 30 EGEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1nnnn1-c1ccccc1 ZINC000439423176 458700041 /nfs/dbraw/zinc/70/00/41/458700041.db2.gz OOUSFVXSKYGYJV-LBPRGKRZSA-N 1 2 338.802 3.038 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000464812950 458777296 /nfs/dbraw/zinc/77/72/96/458777296.db2.gz LWCCBNYPILPHLX-RTBURBONSA-N 1 2 325.456 3.183 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000464812950 458777301 /nfs/dbraw/zinc/77/73/01/458777301.db2.gz LWCCBNYPILPHLX-RTBURBONSA-N 1 2 325.456 3.183 20 30 EGEDLO Cc1cc(C)c(CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)c[nH+]1 ZINC000456826391 458792331 /nfs/dbraw/zinc/79/23/31/458792331.db2.gz AVNBSCQUGNBUMS-UHFFFAOYSA-N 1 2 325.387 3.303 20 30 EGEDLO N#CC1(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CCC1 ZINC000518500742 458872237 /nfs/dbraw/zinc/87/22/37/458872237.db2.gz YDDIXXOHXHDQCB-MSOLQXFVSA-N 1 2 349.438 3.105 20 30 EGEDLO COCc1nc(C[NH2+]C[C@@H](C#N)CCC#N)c(-c2ccccc2)s1 ZINC000555943446 458920174 /nfs/dbraw/zinc/92/01/74/458920174.db2.gz ZFDWKOWCATVAGO-CQSZACIVSA-N 1 2 340.452 3.490 20 30 EGEDLO Fc1cncc(N2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)c1 ZINC000556386644 458955984 /nfs/dbraw/zinc/95/59/84/458955984.db2.gz UGCWMWFKTAPNHK-UHFFFAOYSA-N 1 2 329.806 3.048 20 30 EGEDLO CC(C)(C)OC(=O)N1CCc2cccc(C[NH2+]CC3(C#N)CC3)c21 ZINC000496005321 459034409 /nfs/dbraw/zinc/03/44/09/459034409.db2.gz GLOOUFLTKHKSRK-UHFFFAOYSA-N 1 2 327.428 3.378 20 30 EGEDLO N#Cc1ccncc1N1CC[NH+](CCc2c(F)cccc2Cl)CC1 ZINC000590012059 459066538 /nfs/dbraw/zinc/06/65/38/459066538.db2.gz GIDGTMUNJBKUSM-UHFFFAOYSA-N 1 2 344.821 3.110 20 30 EGEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)sc1-c1ccccc1 ZINC000567483364 459115094 /nfs/dbraw/zinc/11/50/94/459115094.db2.gz XYCUTRQUABCVNJ-GOSISDBHSA-N 1 2 327.453 3.297 20 30 EGEDLO COc1cc[nH+]cc1CNC(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000590469533 459134510 /nfs/dbraw/zinc/13/45/10/459134510.db2.gz XAVXELGSIMBROB-UHFFFAOYSA-N 1 2 336.178 3.199 20 30 EGEDLO N#Cc1csc(C[N@H+]2CCC[C@@H]2COC(=O)NC2CCCCC2)n1 ZINC000496287971 459136563 /nfs/dbraw/zinc/13/65/63/459136563.db2.gz ZOJVOHHKLQHJHF-OAHLLOKOSA-N 1 2 348.472 3.038 20 30 EGEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H]2COC(=O)NC2CCCCC2)n1 ZINC000496287971 459136566 /nfs/dbraw/zinc/13/65/66/459136566.db2.gz ZOJVOHHKLQHJHF-OAHLLOKOSA-N 1 2 348.472 3.038 20 30 EGEDLO N#Cc1nc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)sc1Cl ZINC000590573356 459152170 /nfs/dbraw/zinc/15/21/70/459152170.db2.gz WGWKEHVHGDHXGV-CQSZACIVSA-N 1 2 348.859 3.154 20 30 EGEDLO CC(C)(C)C(=O)N1CCC[C@@H](C[N@H+](CCC#N)Cc2ccco2)C1 ZINC000590603049 459160213 /nfs/dbraw/zinc/16/02/13/459160213.db2.gz LQPSYVNXUZRGID-INIZCTEOSA-N 1 2 331.460 3.280 20 30 EGEDLO CC(C)(C)C(=O)N1CCC[C@@H](C[N@@H+](CCC#N)Cc2ccco2)C1 ZINC000590603049 459160217 /nfs/dbraw/zinc/16/02/17/459160217.db2.gz LQPSYVNXUZRGID-INIZCTEOSA-N 1 2 331.460 3.280 20 30 EGEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc2nc(C(C)(C)C)sc2c1 ZINC000521996280 459201923 /nfs/dbraw/zinc/20/19/23/459201923.db2.gz RDRUUASBKFBQOU-AWEZNQCLSA-N 1 2 346.500 3.212 20 30 EGEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc2nc(C(C)(C)C)sc2c1 ZINC000521996280 459201926 /nfs/dbraw/zinc/20/19/26/459201926.db2.gz RDRUUASBKFBQOU-AWEZNQCLSA-N 1 2 346.500 3.212 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n1 ZINC000580153909 459256989 /nfs/dbraw/zinc/25/69/89/459256989.db2.gz IQKINHABIXAQPK-PKOBYXMFSA-N 1 2 335.407 3.140 20 30 EGEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n1 ZINC000580153909 459256994 /nfs/dbraw/zinc/25/69/94/459256994.db2.gz IQKINHABIXAQPK-PKOBYXMFSA-N 1 2 335.407 3.140 20 30 EGEDLO CN(C)c1cc(NC(=O)CCCCCC#N)[nH+]cc1Br ZINC000590881912 459257236 /nfs/dbraw/zinc/25/72/36/459257236.db2.gz RZXSHECLUHBIIN-UHFFFAOYSA-N 1 2 339.237 3.323 20 30 EGEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000580723342 459263578 /nfs/dbraw/zinc/26/35/78/459263578.db2.gz WTBWXTWXGYNKGG-WDEREUQCSA-N 1 2 329.322 3.194 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)C[C@@H](CC#N)c2ccccc2)CC1(C)C ZINC000580756224 459264577 /nfs/dbraw/zinc/26/45/77/459264577.db2.gz JRSPFNGYUXXQCZ-AEFFLSMTSA-N 1 2 336.439 3.417 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000496674746 459280876 /nfs/dbraw/zinc/28/08/76/459280876.db2.gz WGMZFVHEBUFSIR-CXAGYDPISA-N 1 2 347.434 3.432 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000496674746 459280878 /nfs/dbraw/zinc/28/08/78/459280878.db2.gz WGMZFVHEBUFSIR-CXAGYDPISA-N 1 2 347.434 3.432 20 30 EGEDLO C=CCOC[C@H]([NH2+][C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1)C(=O)OC ZINC000482459036 459310296 /nfs/dbraw/zinc/31/02/96/459310296.db2.gz YQQQOJMBGZESBY-OWYHZJEWSA-N 1 2 331.456 3.293 20 30 EGEDLO Cc1cc(N2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000496865741 459352117 /nfs/dbraw/zinc/35/21/17/459352117.db2.gz PAUARIGKXLGHIP-OAHLLOKOSA-N 1 2 344.459 3.393 20 30 EGEDLO COC(=O)c1cccc(C[N@H+](C)Cc2ccccc2N(C)C)c1C#N ZINC000568929002 459366499 /nfs/dbraw/zinc/36/64/99/459366499.db2.gz MQFPLFBHKMVCQR-UHFFFAOYSA-N 1 2 337.423 3.043 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2N(C)C)c1C#N ZINC000568929002 459366507 /nfs/dbraw/zinc/36/65/07/459366507.db2.gz MQFPLFBHKMVCQR-UHFFFAOYSA-N 1 2 337.423 3.043 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595612626 459367366 /nfs/dbraw/zinc/36/73/66/459367366.db2.gz YTPNVNOVNKNPFP-STQMWFEESA-N 1 2 337.370 3.241 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595612626 459367372 /nfs/dbraw/zinc/36/73/72/459367372.db2.gz YTPNVNOVNKNPFP-STQMWFEESA-N 1 2 337.370 3.241 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+]([C@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000595615000 459368423 /nfs/dbraw/zinc/36/84/23/459368423.db2.gz NSUPJTALVHNXTP-YOEHRIQHSA-N 1 2 331.847 3.461 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+]([C@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000595615000 459368427 /nfs/dbraw/zinc/36/84/27/459368427.db2.gz NSUPJTALVHNXTP-YOEHRIQHSA-N 1 2 331.847 3.461 20 30 EGEDLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595614486 459369151 /nfs/dbraw/zinc/36/91/51/459369151.db2.gz IJGPBAMJHVULRA-OLZOCXBDSA-N 1 2 335.835 3.301 20 30 EGEDLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595614486 459369158 /nfs/dbraw/zinc/36/91/58/459369158.db2.gz IJGPBAMJHVULRA-OLZOCXBDSA-N 1 2 335.835 3.301 20 30 EGEDLO CC[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000582488413 459374206 /nfs/dbraw/zinc/37/42/06/459374206.db2.gz DUZYGZVTXRWPPC-GOEBONIOSA-N 1 2 341.377 3.159 20 30 EGEDLO COc1ccc(F)cc1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595633048 459376085 /nfs/dbraw/zinc/37/60/85/459376085.db2.gz UYYNVUZJERAVCD-UHFFFAOYSA-N 1 2 331.416 3.090 20 30 EGEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000595706571 459407843 /nfs/dbraw/zinc/40/78/43/459407843.db2.gz YVVGCBJOZQVGRS-RBUKOAKNSA-N 1 2 335.382 3.250 20 30 EGEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000595706571 459407846 /nfs/dbraw/zinc/40/78/46/459407846.db2.gz YVVGCBJOZQVGRS-RBUKOAKNSA-N 1 2 335.382 3.250 20 30 EGEDLO COc1ccc2c(c1)CC[N@@H+](Cc1nnc(-c3cccc(C#N)c3)o1)C2 ZINC000595760142 459428624 /nfs/dbraw/zinc/42/86/24/459428624.db2.gz RKGKIQRUAVUCLG-UHFFFAOYSA-N 1 2 346.390 3.175 20 30 EGEDLO COc1ccc2c(c1)CC[N@H+](Cc1nnc(-c3cccc(C#N)c3)o1)C2 ZINC000595760142 459428631 /nfs/dbraw/zinc/42/86/31/459428631.db2.gz RKGKIQRUAVUCLG-UHFFFAOYSA-N 1 2 346.390 3.175 20 30 EGEDLO C[C@@H]1CCC[C@@H](OCCCCCC(=O)N[C@@](C)(C#N)C[NH+](C)C)C1 ZINC000582847892 459438840 /nfs/dbraw/zinc/43/88/40/459438840.db2.gz BORKYXQNANMVCZ-LMMKCTJWSA-N 1 2 337.508 3.102 20 30 EGEDLO Cc1cc(NC[C@H]2CCN(c3ccc(Cl)cc3)C2)c(C#N)c[nH+]1 ZINC000591818880 459445725 /nfs/dbraw/zinc/44/57/25/459445725.db2.gz XIFGWNTVRGNHHR-CQSZACIVSA-N 1 2 326.831 3.275 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1cccc(C#N)c1 ZINC000561575957 459466147 /nfs/dbraw/zinc/46/61/47/459466147.db2.gz IPBOBGMLGUDFTQ-UHFFFAOYSA-N 1 2 341.361 3.463 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1cccc(C#N)c1 ZINC000561575957 459466149 /nfs/dbraw/zinc/46/61/49/459466149.db2.gz IPBOBGMLGUDFTQ-UHFFFAOYSA-N 1 2 341.361 3.463 20 30 EGEDLO Cc1nc(N(C)Cc2ccc(C#N)cc2)c(Br)c(C)[nH+]1 ZINC000596077251 459510979 /nfs/dbraw/zinc/51/09/79/459510979.db2.gz SFEHDRZBUXNQCT-UHFFFAOYSA-N 1 2 331.217 3.364 20 30 EGEDLO Cc1ccc2ncc(C#N)c(NCc3cn4cccc(C)c4[nH+]3)c2c1 ZINC000488099797 459537953 /nfs/dbraw/zinc/53/79/53/459537953.db2.gz KXXNYVGBPYKYDS-UHFFFAOYSA-N 1 2 327.391 3.405 20 30 EGEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC2(CCCC2)O1 ZINC000592195512 459547726 /nfs/dbraw/zinc/54/77/26/459547726.db2.gz SVLBIQSTRZCLRF-CYBMUJFWSA-N 1 2 347.846 3.184 20 30 EGEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC2(CCCC2)O1 ZINC000592195512 459547732 /nfs/dbraw/zinc/54/77/32/459547732.db2.gz SVLBIQSTRZCLRF-CYBMUJFWSA-N 1 2 347.846 3.184 20 30 EGEDLO CCc1[nH+]c2ccccc2n1C1CCN(c2c(C#N)cnn2C)CC1 ZINC000596186166 459553571 /nfs/dbraw/zinc/55/35/71/459553571.db2.gz VBZHLGUZEBETEX-UHFFFAOYSA-N 1 2 334.427 3.045 20 30 EGEDLO Cn1c2ccc(CNc3nccc(C#N)c3Cl)cc2[nH+]c1C1CC1 ZINC000583575530 459562126 /nfs/dbraw/zinc/56/21/26/459562126.db2.gz JBVQZOHINSUWCF-UHFFFAOYSA-N 1 2 337.814 3.405 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000571132651 459564544 /nfs/dbraw/zinc/56/45/44/459564544.db2.gz GFTOOBGZIIZBIB-PBHICJAKSA-N 1 2 325.412 3.292 20 30 EGEDLO C#C[C@H](NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)c1ccc(Cl)cc1 ZINC000491295843 459613494 /nfs/dbraw/zinc/61/34/94/459613494.db2.gz JFDWWXBLTUFBFX-BYCMXARLSA-N 1 2 328.803 3.216 20 30 EGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)/C=C\c2ccc(C#N)cc2)c1C ZINC000491290668 459614023 /nfs/dbraw/zinc/61/40/23/459614023.db2.gz GZGSJJWECJQVAV-KTKRTIGZSA-N 1 2 335.407 3.251 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@H](CC)c2ccc(F)cc2F)n1 ZINC000491426649 459625934 /nfs/dbraw/zinc/62/59/34/459625934.db2.gz HDYLYRRWMHRKKM-LJQANCHMSA-N 1 2 347.409 3.394 20 30 EGEDLO C#CCn1ccc(C[N@H+](CCOC)[C@H](CC)c2ccc(F)cc2F)n1 ZINC000491426649 459625940 /nfs/dbraw/zinc/62/59/40/459625940.db2.gz HDYLYRRWMHRKKM-LJQANCHMSA-N 1 2 347.409 3.394 20 30 EGEDLO COC(=O)Nc1ccc(CC[NH+]=Cc2cccc(OC)c2O)cc1 ZINC000491467015 459629157 /nfs/dbraw/zinc/62/91/57/459629157.db2.gz ZVKJMWLWRKMTSQ-UNOMPAQXSA-N 1 2 328.368 3.241 20 30 EGEDLO C#C[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000491543793 459635504 /nfs/dbraw/zinc/63/55/04/459635504.db2.gz ILRNDYWKFSQTLF-INIZCTEOSA-N 1 2 342.830 3.327 20 30 EGEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(-c2ccc(Br)s2)no1 ZINC000491682263 459652956 /nfs/dbraw/zinc/65/29/56/459652956.db2.gz QYQBKZQYVIMYNG-MRVPVSSYSA-N 1 2 326.219 3.014 20 30 EGEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(-c2ccc(Br)s2)no1 ZINC000491682263 459652962 /nfs/dbraw/zinc/65/29/62/459652962.db2.gz QYQBKZQYVIMYNG-MRVPVSSYSA-N 1 2 326.219 3.014 20 30 EGEDLO C#CCN(Cc1ccccc1)C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000491732594 459662002 /nfs/dbraw/zinc/66/20/02/459662002.db2.gz MAGCSKFBCQIXJT-OAHLLOKOSA-N 1 2 349.356 3.118 20 30 EGEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cc3cc(F)ccc3o2)n1 ZINC000491811412 459678622 /nfs/dbraw/zinc/67/86/22/459678622.db2.gz CXICWSZBCBJQNX-UHFFFAOYSA-N 1 2 341.386 3.050 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cc3cc(F)ccc3o2)n1 ZINC000491811412 459678627 /nfs/dbraw/zinc/67/86/27/459678627.db2.gz CXICWSZBCBJQNX-UHFFFAOYSA-N 1 2 341.386 3.050 20 30 EGEDLO Cc1cccc2[nH+]c(CCNC(=O)c3ccc(C(C)(C)C#N)cc3)cn21 ZINC000592745271 459682668 /nfs/dbraw/zinc/68/26/68/459682668.db2.gz DRISFWBILPJJMB-UHFFFAOYSA-N 1 2 346.434 3.416 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000596591762 459687883 /nfs/dbraw/zinc/68/78/83/459687883.db2.gz LQZHWSMUQCBTGT-RDTXWAMCSA-N 1 2 334.423 3.363 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000596591762 459687888 /nfs/dbraw/zinc/68/78/88/459687888.db2.gz LQZHWSMUQCBTGT-RDTXWAMCSA-N 1 2 334.423 3.363 20 30 EGEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000492485481 459706798 /nfs/dbraw/zinc/70/67/98/459706798.db2.gz ARAYTGVXZWIJSO-PSKZRQQASA-N 1 2 348.328 3.316 20 30 EGEDLO C=CCOc1cccc(C[N@@H+]2CCc3c(nnn3-c3ccccc3)C2)c1 ZINC000573749273 459728643 /nfs/dbraw/zinc/72/86/43/459728643.db2.gz AYFGOKSSRVLQJE-UHFFFAOYSA-N 1 2 346.434 3.390 20 30 EGEDLO C=CCOc1cccc(C[N@H+]2CCc3c(nnn3-c3ccccc3)C2)c1 ZINC000573749273 459728648 /nfs/dbraw/zinc/72/86/48/459728648.db2.gz AYFGOKSSRVLQJE-UHFFFAOYSA-N 1 2 346.434 3.390 20 30 EGEDLO Cc1ccc2c(Cl)c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)sc2c1 ZINC000593154606 459790473 /nfs/dbraw/zinc/79/04/73/459790473.db2.gz NDWPBVSDAGVMQO-INIZCTEOSA-N 1 2 335.860 3.437 20 30 EGEDLO Cc1nsc(N2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)c1C#N ZINC000566002941 459791684 /nfs/dbraw/zinc/79/16/84/459791684.db2.gz MHPLACZSOOZNMW-NSCUHMNNSA-N 1 2 342.443 3.298 20 30 EGEDLO COCc1ccc(NC(=O)CCn2c(C)[nH+]c3ccccc32)cc1C#N ZINC000529817701 459850844 /nfs/dbraw/zinc/85/08/44/459850844.db2.gz OEJUTRMIVQLSFM-UHFFFAOYSA-N 1 2 348.406 3.392 20 30 EGEDLO COc1cc(F)cc(C[NH+]2CCN(c3ccsc3C#N)CC2)c1 ZINC000597184434 459867549 /nfs/dbraw/zinc/86/75/49/459867549.db2.gz WMOKBTZCQHZWNE-UHFFFAOYSA-N 1 2 331.416 3.090 20 30 EGEDLO N#Cc1cnc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c(Cl)c1 ZINC000608884910 459892915 /nfs/dbraw/zinc/89/29/15/459892915.db2.gz NAZYZURLLCRTLD-QPJJXVBHSA-N 1 2 338.842 3.442 20 30 EGEDLO COc1ccccc1C[N@@H+](Cc1cccc(C#N)n1)C[C@H]1CCCO1 ZINC000602447480 459943817 /nfs/dbraw/zinc/94/38/17/459943817.db2.gz ICESOKXLLREOTG-LJQANCHMSA-N 1 2 337.423 3.143 20 30 EGEDLO COc1ccccc1C[N@H+](Cc1cccc(C#N)n1)C[C@H]1CCCO1 ZINC000602447480 459943820 /nfs/dbraw/zinc/94/38/20/459943820.db2.gz ICESOKXLLREOTG-LJQANCHMSA-N 1 2 337.423 3.143 20 30 EGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000609631504 459999466 /nfs/dbraw/zinc/99/94/66/459999466.db2.gz PEAHFHVBZGAWGI-QPJJXVBHSA-N 1 2 334.423 3.259 20 30 EGEDLO CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000609676566 460007227 /nfs/dbraw/zinc/00/72/27/460007227.db2.gz PQWFQOUALLAZTB-IFXJQAMLSA-N 1 2 337.423 3.223 20 30 EGEDLO Cc1ccccc1-c1nc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)no1 ZINC000602613996 460022454 /nfs/dbraw/zinc/02/24/54/460022454.db2.gz COHIIINBEOLSHG-OAHLLOKOSA-N 1 2 340.427 3.234 20 30 EGEDLO COc1ncc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)s1 ZINC000602657518 460047042 /nfs/dbraw/zinc/04/70/42/460047042.db2.gz ZGNDQFHGJIGJSW-UHFFFAOYSA-N 1 2 347.415 3.206 20 30 EGEDLO Cc1cc(C[NH+]2CCN(c3c(C#N)cnc4c(C)cccc43)CC2)on1 ZINC000610211197 460083316 /nfs/dbraw/zinc/08/33/16/460083316.db2.gz CZVCLVUDXWFHRO-UHFFFAOYSA-N 1 2 347.422 3.034 20 30 EGEDLO N#Cc1c(Br)cccc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000589586559 460105537 /nfs/dbraw/zinc/10/55/37/460105537.db2.gz JRKBXCWJZLBWNR-GFCCVEGCSA-N 1 2 343.228 3.407 20 30 EGEDLO C=CCC1(C(=O)NCc2nc(C[NH+]3CCCCC3)no2)CCCCC1 ZINC000614468396 460149119 /nfs/dbraw/zinc/14/91/19/460149119.db2.gz JJNZVXAYWPUKHW-UHFFFAOYSA-N 1 2 346.475 3.198 20 30 EGEDLO CCN1C[C@H](C[N@H+](C)Cc2cc(F)ccc2C#N)Oc2ccccc21 ZINC000610728543 460226886 /nfs/dbraw/zinc/22/68/86/460226886.db2.gz RFTLNCLBIKYNDX-SFHVURJKSA-N 1 2 339.414 3.417 20 30 EGEDLO CCN1C[C@H](C[N@@H+](C)Cc2cc(F)ccc2C#N)Oc2ccccc21 ZINC000610728543 460226889 /nfs/dbraw/zinc/22/68/89/460226889.db2.gz RFTLNCLBIKYNDX-SFHVURJKSA-N 1 2 339.414 3.417 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000603603462 460326869 /nfs/dbraw/zinc/32/68/69/460326869.db2.gz IOMAMAPGHUJYOJ-CFLQYTFWSA-N 1 2 343.471 3.422 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000603603462 460326873 /nfs/dbraw/zinc/32/68/73/460326873.db2.gz IOMAMAPGHUJYOJ-CFLQYTFWSA-N 1 2 343.471 3.422 20 30 EGEDLO Cc1cccc([C@@H](CNc2nc(C#N)ccc2C)[NH+]2CCOCC2)c1 ZINC000611399213 460356307 /nfs/dbraw/zinc/35/63/07/460356307.db2.gz AXKPBGCRZXIGJP-LJQANCHMSA-N 1 2 336.439 3.056 20 30 EGEDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000611555118 460396839 /nfs/dbraw/zinc/39/68/39/460396839.db2.gz NFBMPIWHBDOKNS-DGCLKSJQSA-N 1 2 325.334 3.160 20 30 EGEDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000611555118 460396845 /nfs/dbraw/zinc/39/68/45/460396845.db2.gz NFBMPIWHBDOKNS-DGCLKSJQSA-N 1 2 325.334 3.160 20 30 EGEDLO C=CCOc1ccc(C[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)cc1Cl ZINC000655820193 461476452 /nfs/dbraw/zinc/47/64/52/461476452.db2.gz SFNCQDFDRLVPCF-OAHLLOKOSA-N 1 2 348.834 3.164 20 30 EGEDLO N#Cc1ccc(CC[N@H+]2CCOC[C@@H]2CC(=O)c2cccs2)cc1 ZINC000660293517 461693504 /nfs/dbraw/zinc/69/35/04/461693504.db2.gz KPWXWECFEWRPAM-KRWDZBQOSA-N 1 2 340.448 3.136 20 30 EGEDLO N#Cc1ccc(CC[N@@H+]2CCOC[C@@H]2CC(=O)c2cccs2)cc1 ZINC000660293517 461693511 /nfs/dbraw/zinc/69/35/11/461693511.db2.gz KPWXWECFEWRPAM-KRWDZBQOSA-N 1 2 340.448 3.136 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000660538446 461839988 /nfs/dbraw/zinc/83/99/88/461839988.db2.gz HDYWFYOJCCYNSG-CEXWTWQISA-N 1 2 344.503 3.289 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000660538446 461839991 /nfs/dbraw/zinc/83/99/91/461839991.db2.gz HDYWFYOJCCYNSG-CEXWTWQISA-N 1 2 344.503 3.289 20 30 EGEDLO C=CC[N@@H+](Cc1cc2cccc(CC)c2o1)[C@@H]1CCS(=O)(=O)C1 ZINC000667540981 462134335 /nfs/dbraw/zinc/13/43/35/462134335.db2.gz ACDSXUTZHQODOO-MRXNPFEDSA-N 1 2 333.453 3.170 20 30 EGEDLO C=CC[N@H+](Cc1cc2cccc(CC)c2o1)[C@@H]1CCS(=O)(=O)C1 ZINC000667540981 462134338 /nfs/dbraw/zinc/13/43/38/462134338.db2.gz ACDSXUTZHQODOO-MRXNPFEDSA-N 1 2 333.453 3.170 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000186837034 527616837 /nfs/dbraw/zinc/61/68/37/527616837.db2.gz AJJIRXIYAYIMEI-MAUKXSAKSA-N 1 2 336.501 3.182 20 30 EGEDLO CC(C)COC[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccco1 ZINC000184197118 528099588 /nfs/dbraw/zinc/09/95/88/528099588.db2.gz GLABSFYOVTYXSQ-CQSZACIVSA-N 1 2 347.440 3.155 20 30 EGEDLO CC[C@@H](C)n1ncc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1C ZINC000330141558 547513561 /nfs/dbraw/zinc/51/35/61/547513561.db2.gz XQXZGXNXKSCLDH-GFCCVEGCSA-N 1 2 330.436 3.311 20 30 EGEDLO CC[C@@H](C)n1ncc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1C ZINC000330141558 547513566 /nfs/dbraw/zinc/51/35/66/547513566.db2.gz XQXZGXNXKSCLDH-GFCCVEGCSA-N 1 2 330.436 3.311 20 30 EGEDLO C#CC[C@@H](NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000365573166 547777465 /nfs/dbraw/zinc/77/74/65/547777465.db2.gz GVMMANYGLFFSIS-ZWKOTPCHSA-N 1 2 336.439 3.074 20 30 EGEDLO C=CCOc1cccc(C[NH+]2CCN(C(=O)CC(C)(C)C)CC2)c1 ZINC000678137546 549407026 /nfs/dbraw/zinc/40/70/26/549407026.db2.gz QIKZHXGZSLLLPM-UHFFFAOYSA-N 1 2 330.472 3.332 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCOCC3(CCCC3)C2)c1C ZINC000681474867 549999587 /nfs/dbraw/zinc/99/95/87/549999587.db2.gz AUZIYGCYBNXLPJ-UHFFFAOYSA-N 1 2 330.472 3.366 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCOCC3(CCCC3)C2)c1C ZINC000681474867 549999589 /nfs/dbraw/zinc/99/95/89/549999589.db2.gz AUZIYGCYBNXLPJ-UHFFFAOYSA-N 1 2 330.472 3.366 20 30 EGEDLO COCC#CC[N@@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000682779153 550143390 /nfs/dbraw/zinc/14/33/90/550143390.db2.gz GUPSMDVSIFDDEP-GOSISDBHSA-N 1 2 327.403 3.393 20 30 EGEDLO COCC#CC[N@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000682779153 550143392 /nfs/dbraw/zinc/14/33/92/550143392.db2.gz GUPSMDVSIFDDEP-GOSISDBHSA-N 1 2 327.403 3.393 20 30 EGEDLO C#CCCOC(=O)c1ccccc1OCc1cn2cc(C)ccc2[nH+]1 ZINC000727042941 574636225 /nfs/dbraw/zinc/63/62/25/574636225.db2.gz WFKUSEAUFMGWOZ-UHFFFAOYSA-N 1 2 334.375 3.402 20 30 EGEDLO CC(=O)Nc1cccc(C(=O)/C=C\c2[nH+]ccn2CC(F)(F)F)c1 ZINC000727744363 574688230 /nfs/dbraw/zinc/68/82/30/574688230.db2.gz DMUNYMPUPVSREF-WAYWQWQTSA-N 1 2 337.301 3.300 20 30 EGEDLO COc1c(C)c[nH+]c(CNC(=O)c2cc3ccccc3n2CC#N)c1C ZINC000729351464 574845636 /nfs/dbraw/zinc/84/56/36/574845636.db2.gz UQHFTDTWZHCBRF-UHFFFAOYSA-N 1 2 348.406 3.115 20 30 EGEDLO Cc1ccc2[nH+]c(COC(=O)c3cc4ccccc4n3CC#N)cn2c1 ZINC000729766492 574884849 /nfs/dbraw/zinc/88/48/49/574884849.db2.gz JEHXLVGPSAZVBL-UHFFFAOYSA-N 1 2 344.374 3.478 20 30 EGEDLO C=CCn1c(C)nn(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)c1=S ZINC000729851607 574890634 /nfs/dbraw/zinc/89/06/34/574890634.db2.gz KBBUDVRXWPSNFY-KRWDZBQOSA-N 1 2 344.484 3.330 20 30 EGEDLO C=CCn1c(C)nn(C[N@H+]2CCCO[C@H](c3ccccc3)C2)c1=S ZINC000729851607 574890635 /nfs/dbraw/zinc/89/06/35/574890635.db2.gz KBBUDVRXWPSNFY-KRWDZBQOSA-N 1 2 344.484 3.330 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000730095670 574919329 /nfs/dbraw/zinc/91/93/29/574919329.db2.gz FHHPORFSYOZKRQ-KRWDZBQOSA-N 1 2 325.437 3.155 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000730095670 574919331 /nfs/dbraw/zinc/91/93/31/574919331.db2.gz FHHPORFSYOZKRQ-KRWDZBQOSA-N 1 2 325.437 3.155 20 30 EGEDLO N#CCOc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000731212527 575060639 /nfs/dbraw/zinc/06/06/39/575060639.db2.gz PFDKVMOMFITFOD-LJQANCHMSA-N 1 2 344.361 3.441 20 30 EGEDLO N#CCOc1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000731212527 575060640 /nfs/dbraw/zinc/06/06/40/575060640.db2.gz PFDKVMOMFITFOD-LJQANCHMSA-N 1 2 344.361 3.441 20 30 EGEDLO N#CCSc1ccccc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000731632707 575193304 /nfs/dbraw/zinc/19/33/04/575193304.db2.gz PXGXYYJNVAMLIT-UHFFFAOYSA-N 1 2 340.452 3.319 20 30 EGEDLO C#Cc1cccc(N(CC[NH+]2CCOCC2)Cc2cccs2)c1 ZINC000732199790 575246848 /nfs/dbraw/zinc/24/68/48/575246848.db2.gz QWBXZQIFWOOXJZ-UHFFFAOYSA-N 1 2 326.465 3.068 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(C)cn2)cc1 ZINC000733278159 575323945 /nfs/dbraw/zinc/32/39/45/575323945.db2.gz RAAFWCLSIOJYCA-SFHVURJKSA-N 1 2 335.407 3.218 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(C)cn2)cc1 ZINC000733278159 575323946 /nfs/dbraw/zinc/32/39/46/575323946.db2.gz RAAFWCLSIOJYCA-SFHVURJKSA-N 1 2 335.407 3.218 20 30 EGEDLO C=CCCC[NH2+][C@@](C)(C(=O)OC)c1cccc(Br)c1 ZINC000735492916 575669718 /nfs/dbraw/zinc/66/97/18/575669718.db2.gz KSEIPKQJPKKISS-OAHLLOKOSA-N 1 2 326.234 3.393 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(OCCC(C)C)c1 ZINC000739827321 576508206 /nfs/dbraw/zinc/50/82/06/576508206.db2.gz WSFSESVRTXGOGE-SFHVURJKSA-N 1 2 328.456 3.456 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(OCCC(C)C)c1 ZINC000739827321 576508208 /nfs/dbraw/zinc/50/82/08/576508208.db2.gz WSFSESVRTXGOGE-SFHVURJKSA-N 1 2 328.456 3.456 20 30 EGEDLO C=CCn1nnn(C[N@H+]2CCCC[C@@H]2c2ccc(C)cc2)c1=S ZINC000742157122 576753202 /nfs/dbraw/zinc/75/32/02/576753202.db2.gz NBAFMVJBYWLIMJ-MRXNPFEDSA-N 1 2 329.473 3.488 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2CCCC[C@@H]2c2ccc(C)cc2)c1=S ZINC000742157122 576753204 /nfs/dbraw/zinc/75/32/04/576753204.db2.gz NBAFMVJBYWLIMJ-MRXNPFEDSA-N 1 2 329.473 3.488 20 30 EGEDLO COc1c(C)c[nH+]c(CNC(=O)N[C@H](C)c2cccc(C#N)c2)c1C ZINC000743574588 576812426 /nfs/dbraw/zinc/81/24/26/576812426.db2.gz DQFBEMKVJWODTH-CQSZACIVSA-N 1 2 338.411 3.139 20 30 EGEDLO C#CCOc1ccc(Br)cc1C[NH2+]Cc1cc(C)no1 ZINC000044986687 1291500372 /nfs/dbraw/zinc/50/03/72/1291500372.db2.gz IHWFZIXJMVRPBP-UHFFFAOYSA-N 1 2 335.201 3.047 20 30 EGEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)c2ccccc2C1=O ZINC000063729703 1292023265 /nfs/dbraw/zinc/02/32/65/1292023265.db2.gz UJSJSCXQARLZPO-UHFFFAOYSA-N 1 2 333.391 3.022 20 30 EGEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)c2ccccc2C1=O ZINC000063729703 1292023273 /nfs/dbraw/zinc/02/32/73/1292023273.db2.gz UJSJSCXQARLZPO-UHFFFAOYSA-N 1 2 333.391 3.022 20 30 EGEDLO COc1ccc(N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)cc1F ZINC000084866667 1292713561 /nfs/dbraw/zinc/71/35/61/1292713561.db2.gz MJVDYKQAJUQTQU-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO C=C(C)C[N@@H+](C)CC(=O)c1cc(C)n(NC(=O)c2ccccc2)c1C ZINC000181311068 1294955671 /nfs/dbraw/zinc/95/56/71/1294955671.db2.gz NQJPSEKYPZJNOL-UHFFFAOYSA-N 1 2 339.439 3.179 20 30 EGEDLO C=C(C)C[N@H+](C)CC(=O)c1cc(C)n(NC(=O)c2ccccc2)c1C ZINC000181311068 1294955681 /nfs/dbraw/zinc/95/56/81/1294955681.db2.gz NQJPSEKYPZJNOL-UHFFFAOYSA-N 1 2 339.439 3.179 20 30 EGEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)cc1 ZINC000246895799 1296373967 /nfs/dbraw/zinc/37/39/67/1296373967.db2.gz UEVLMWWJUPSUOP-UONOGXRCSA-N 1 2 341.377 3.046 20 30 EGEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)cc1 ZINC000246895799 1296373981 /nfs/dbraw/zinc/37/39/81/1296373981.db2.gz UEVLMWWJUPSUOP-UONOGXRCSA-N 1 2 341.377 3.046 20 30 EGEDLO C[C@H]1CCc2nc(NC(=O)NCc3ccn4cc[nH+]c4c3)sc2C1 ZINC000329657323 1297262861 /nfs/dbraw/zinc/26/28/61/1297262861.db2.gz GSNIQLSOZHTSDE-NSHDSACASA-N 1 2 341.440 3.442 20 30 EGEDLO Cc1cc(=O)[nH]c(N=NCC(C)(C)C[N@H+](C)Cc2ccccc2)n1 ZINC000747624217 1298811493 /nfs/dbraw/zinc/81/14/93/1298811493.db2.gz KNQSYXPTVXJSRZ-UHFFFAOYSA-N 1 2 327.432 3.047 20 30 EGEDLO Cc1cc(=O)[nH]c(N=NCC(C)(C)C[N@@H+](C)Cc2ccccc2)n1 ZINC000747624217 1298811502 /nfs/dbraw/zinc/81/15/02/1298811502.db2.gz KNQSYXPTVXJSRZ-UHFFFAOYSA-N 1 2 327.432 3.047 20 30 EGEDLO Cn1c[nH+]cc1COC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000747779083 1298858886 /nfs/dbraw/zinc/85/88/86/1298858886.db2.gz BLGHKSUKKPVCPY-UHFFFAOYSA-N 1 2 347.374 3.228 20 30 EGEDLO Fc1cc(N[NH+]=Cc2cnc(N3CCOCC3)s2)ccc1Cl ZINC000755753370 1300389795 /nfs/dbraw/zinc/38/97/95/1300389795.db2.gz PTJJQLNMKJUSCS-UHFFFAOYSA-N 1 2 340.811 3.218 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(C(C)(C)O)CC2)c1C#N ZINC000879627345 1300634641 /nfs/dbraw/zinc/63/46/41/1300634641.db2.gz BIZQJRMOGFOJPC-UHFFFAOYSA-N 1 2 338.455 3.035 20 30 EGEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(C#N)c(F)cc1F ZINC000880715036 1301238419 /nfs/dbraw/zinc/23/84/19/1301238419.db2.gz HNLCICOHOWSALS-OAHLLOKOSA-N 1 2 347.369 3.269 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)OCC ZINC000882872696 1302141602 /nfs/dbraw/zinc/14/16/02/1302141602.db2.gz KJANZHKMSVVOBV-QZTJIDSGSA-N 1 2 327.428 3.112 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2C[C@H](C)C[C@H]2C)c1=S ZINC000765029404 1302186898 /nfs/dbraw/zinc/18/68/98/1302186898.db2.gz MMYITGCQMLFTMP-ZIAGYGMSSA-N 1 2 329.473 3.350 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2C[C@H](C)C[C@H]2C)c1=S ZINC000765029404 1302186903 /nfs/dbraw/zinc/18/69/03/1302186903.db2.gz MMYITGCQMLFTMP-ZIAGYGMSSA-N 1 2 329.473 3.350 20 30 EGEDLO FC(F)(F)COCCN[NH+]=Cc1ccc(N2CCCCC2)s1 ZINC000765599828 1302288546 /nfs/dbraw/zinc/28/85/46/1302288546.db2.gz OFMBHBJJBFQNNZ-UHFFFAOYSA-N 1 2 335.395 3.241 20 30 EGEDLO COc1ccccc1[C@@H]1CCC[N@@H+]1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766619843 1302491202 /nfs/dbraw/zinc/49/12/02/1302491202.db2.gz OCBGBQYOLTVZNL-IBGZPJMESA-N 1 2 349.434 3.012 20 30 EGEDLO COc1ccccc1[C@@H]1CCC[N@H+]1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766619843 1302491210 /nfs/dbraw/zinc/49/12/10/1302491210.db2.gz OCBGBQYOLTVZNL-IBGZPJMESA-N 1 2 349.434 3.012 20 30 EGEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000769306689 1303089881 /nfs/dbraw/zinc/08/98/81/1303089881.db2.gz BTDUHRQYOVSVHZ-HXUWFJFHSA-N 1 2 325.383 3.411 20 30 EGEDLO C#CCOc1ccc(C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000769306689 1303089884 /nfs/dbraw/zinc/08/98/84/1303089884.db2.gz BTDUHRQYOVSVHZ-HXUWFJFHSA-N 1 2 325.383 3.411 20 30 EGEDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(N(C)CCC#N)cc1)C2 ZINC000769370816 1303100517 /nfs/dbraw/zinc/10/05/17/1303100517.db2.gz QJOQKJIRMKGQMI-UHFFFAOYSA-N 1 2 349.434 3.339 20 30 EGEDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(N(C)CCC#N)cc1)C2 ZINC000769370816 1303100520 /nfs/dbraw/zinc/10/05/20/1303100520.db2.gz QJOQKJIRMKGQMI-UHFFFAOYSA-N 1 2 349.434 3.339 20 30 EGEDLO C#C[C@@H](C)[N@H+](C)Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000769978294 1303200893 /nfs/dbraw/zinc/20/08/93/1303200893.db2.gz WHAZRMTVXXLQPK-MRXNPFEDSA-N 1 2 327.449 3.281 20 30 EGEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000769978294 1303200899 /nfs/dbraw/zinc/20/08/99/1303200899.db2.gz WHAZRMTVXXLQPK-MRXNPFEDSA-N 1 2 327.449 3.281 20 30 EGEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(OC)c(OC[C@H](C)CC)cc1[N+](=O)[O-] ZINC000769975864 1303201651 /nfs/dbraw/zinc/20/16/51/1303201651.db2.gz MXBPDWHDZMKNMX-KGLIPLIRSA-N 1 2 334.416 3.482 20 30 EGEDLO C#C[C@H](C)[N@H+](C)Cc1cc(OC)c(OC[C@H](C)CC)cc1[N+](=O)[O-] ZINC000769975864 1303201660 /nfs/dbraw/zinc/20/16/60/1303201660.db2.gz MXBPDWHDZMKNMX-KGLIPLIRSA-N 1 2 334.416 3.482 20 30 EGEDLO C=CC[C@H](NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccncc1 ZINC000770626681 1303295653 /nfs/dbraw/zinc/29/56/53/1303295653.db2.gz RFIODVYPBKZFQL-IRXDYDNUSA-N 1 2 339.443 3.022 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1csc(-c2ccc(OC)cc2)n1)[C@@H]1CCCO1 ZINC000775340906 1303942576 /nfs/dbraw/zinc/94/25/76/1303942576.db2.gz JJWXMKILAUCVJT-SJORKVTESA-N 1 2 328.437 3.089 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1c(C)nn(Cc2ccccc2)c1Cl)[C@@H]1CCCO1 ZINC000775798033 1304039511 /nfs/dbraw/zinc/03/95/11/1304039511.db2.gz HKHOOTAQIXZLMO-MSOLQXFVSA-N 1 2 343.858 3.164 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000775930550 1304062807 /nfs/dbraw/zinc/06/28/07/1304062807.db2.gz TUTZECXEDIXETN-LBPRGKRZSA-N 1 2 333.270 3.130 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000775930550 1304062810 /nfs/dbraw/zinc/06/28/10/1304062810.db2.gz TUTZECXEDIXETN-LBPRGKRZSA-N 1 2 333.270 3.130 20 30 EGEDLO C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000776606578 1304178936 /nfs/dbraw/zinc/17/89/36/1304178936.db2.gz LVJHWNASVCCBOF-CABCVRRESA-N 1 2 329.444 3.388 20 30 EGEDLO C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000776606578 1304178941 /nfs/dbraw/zinc/17/89/41/1304178941.db2.gz LVJHWNASVCCBOF-CABCVRRESA-N 1 2 329.444 3.388 20 30 EGEDLO C=CCN(CCc1ccco1)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000778603539 1304473187 /nfs/dbraw/zinc/47/31/87/1304473187.db2.gz GSAFTCFFCJDRGO-UHFFFAOYSA-N 1 2 325.416 3.409 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2cc3ccccc3[nH]2)[C@@H](C#N)C1 ZINC000779397404 1304566622 /nfs/dbraw/zinc/56/66/22/1304566622.db2.gz WBKZHZFAGMMSST-YOEHRIQHSA-N 1 2 340.427 3.017 20 30 EGEDLO N#Cc1cccc(OCCO[NH+]=C(N)Cc2ccc(Cl)cc2)c1 ZINC000782325859 1304954451 /nfs/dbraw/zinc/95/44/51/1304954451.db2.gz NEZBSQDUCFWGOE-UHFFFAOYSA-N 1 2 329.787 3.332 20 30 EGEDLO Cc1nc(C)c(CO[NH+]=C(N)c2ccc(Br)cc2)s1 ZINC000782949229 1305027530 /nfs/dbraw/zinc/02/75/30/1305027530.db2.gz DGRMYCDQWCGLJV-UHFFFAOYSA-N 1 2 340.246 3.360 20 30 EGEDLO Cc1nsc(N(C)C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1C#N ZINC000891424002 1305047341 /nfs/dbraw/zinc/04/73/41/1305047341.db2.gz KAYJBHZCDPPPPK-CQSZACIVSA-N 1 2 348.859 3.242 20 30 EGEDLO Cc1cc(COC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)ccc1C#N ZINC000783725807 1305133535 /nfs/dbraw/zinc/13/35/35/1305133535.db2.gz OUVWYQFTKXDUSU-INIZCTEOSA-N 1 2 334.419 3.357 20 30 EGEDLO Cc1cc(COC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)ccc1C#N ZINC000783725807 1305133539 /nfs/dbraw/zinc/13/35/39/1305133539.db2.gz OUVWYQFTKXDUSU-INIZCTEOSA-N 1 2 334.419 3.357 20 30 EGEDLO CC(C)(C#N)CCCOC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000783805836 1305148507 /nfs/dbraw/zinc/14/85/07/1305148507.db2.gz OIVKGPJDDWYSBJ-SFHVURJKSA-N 1 2 344.455 3.151 20 30 EGEDLO CC(C)(C#N)CCCOC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000783805836 1305148509 /nfs/dbraw/zinc/14/85/09/1305148509.db2.gz OIVKGPJDDWYSBJ-SFHVURJKSA-N 1 2 344.455 3.151 20 30 EGEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000785997456 1305489076 /nfs/dbraw/zinc/48/90/76/1305489076.db2.gz PAFPGWIGHYVYMY-MRXNPFEDSA-N 1 2 343.471 3.051 20 30 EGEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000785997456 1305489089 /nfs/dbraw/zinc/48/90/89/1305489089.db2.gz PAFPGWIGHYVYMY-MRXNPFEDSA-N 1 2 343.471 3.051 20 30 EGEDLO C[NH+](C)CCc1ccc(C/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000786028699 1305492158 /nfs/dbraw/zinc/49/21/58/1305492158.db2.gz XKTUPEVEVNXHRM-CPNJWEJPSA-N 1 2 327.384 3.024 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000787268724 1305722913 /nfs/dbraw/zinc/72/29/13/1305722913.db2.gz HWQDJXPDTZDLRQ-OAHLLOKOSA-N 1 2 349.434 3.256 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000787268724 1305722926 /nfs/dbraw/zinc/72/29/26/1305722926.db2.gz HWQDJXPDTZDLRQ-OAHLLOKOSA-N 1 2 349.434 3.256 20 30 EGEDLO C=CC[N@@H+](CCc1ccccc1)Cc1c(Cl)ncnc1N(C)C ZINC000788014097 1305843888 /nfs/dbraw/zinc/84/38/88/1305843888.db2.gz XOWNWTBZWMCYHA-UHFFFAOYSA-N 1 2 330.863 3.427 20 30 EGEDLO C=CC[N@H+](CCc1ccccc1)Cc1c(Cl)ncnc1N(C)C ZINC000788014097 1305843904 /nfs/dbraw/zinc/84/39/04/1305843904.db2.gz XOWNWTBZWMCYHA-UHFFFAOYSA-N 1 2 330.863 3.427 20 30 EGEDLO Fc1cccc(-c2ccc(C=NNC3=[NH+][C@H]4CCCC[C@@H]4N3)o2)c1F ZINC000790170345 1306270570 /nfs/dbraw/zinc/27/05/70/1306270570.db2.gz AAATUKZLKZPPLX-GJZGRUSLSA-N 1 2 344.365 3.419 20 30 EGEDLO C=CC[N@H+](CCc1ccccc1)CCS(=O)(=O)Cc1ccccc1 ZINC000791452186 1309001277 /nfs/dbraw/zinc/00/12/77/1309001277.db2.gz FHMJCECFTOTVNA-UHFFFAOYSA-N 1 2 343.492 3.332 20 30 EGEDLO C=CC[N@@H+](CCc1ccccc1)CCS(=O)(=O)Cc1ccccc1 ZINC000791452186 1309001286 /nfs/dbraw/zinc/00/12/86/1309001286.db2.gz FHMJCECFTOTVNA-UHFFFAOYSA-N 1 2 343.492 3.332 20 30 EGEDLO C[NH+](C)Cc1cnc(/C=C2/COc3c(F)cc(F)cc3C2=O)s1 ZINC000794698278 1309578592 /nfs/dbraw/zinc/57/85/92/1309578592.db2.gz IKJZXCZLIOICPT-OQFOIZHKSA-N 1 2 336.363 3.142 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000796035314 1309889023 /nfs/dbraw/zinc/88/90/23/1309889023.db2.gz DTEAKJNJBDSUAI-DNVCBOLYSA-N 1 2 349.858 3.122 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000796035314 1309889029 /nfs/dbraw/zinc/88/90/29/1309889029.db2.gz DTEAKJNJBDSUAI-DNVCBOLYSA-N 1 2 349.858 3.122 20 30 EGEDLO CSc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 ZINC000798274435 1310332861 /nfs/dbraw/zinc/33/28/61/1310332861.db2.gz DZEVVLTYRREXSE-GDBMZVCRSA-N 1 2 347.484 3.257 20 30 EGEDLO CCc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 ZINC000798275321 1310333378 /nfs/dbraw/zinc/33/33/78/1310333378.db2.gz PWUIYPICCRGUMG-IAGOWNOFSA-N 1 2 329.444 3.098 20 30 EGEDLO CC(=[NH+]Nc1cc([N+](=O)[O-])ccc1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799110651 1310488464 /nfs/dbraw/zinc/48/84/64/1310488464.db2.gz ZETOXYHRXVLWCM-UHFFFAOYSA-N 1 2 329.316 3.230 20 30 EGEDLO C#C[C@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)C(C)C ZINC000799182447 1310502105 /nfs/dbraw/zinc/50/21/05/1310502105.db2.gz RHRUNFXSZNBISS-ZFWWWQNUSA-N 1 2 334.489 3.154 20 30 EGEDLO C#C[C@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)C(C)C ZINC000799182447 1310502111 /nfs/dbraw/zinc/50/21/11/1310502111.db2.gz RHRUNFXSZNBISS-ZFWWWQNUSA-N 1 2 334.489 3.154 20 30 EGEDLO C[C@@H](c1cc(F)ccc1F)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000801553731 1310964718 /nfs/dbraw/zinc/96/47/18/1310964718.db2.gz DKSIMCWVDFWWEC-ZDUSSCGKSA-N 1 2 328.366 3.115 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000827203470 1320433186 /nfs/dbraw/zinc/43/31/86/1320433186.db2.gz CJHXCFHVLLSEOA-INIZCTEOSA-N 1 2 336.838 3.219 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000827203470 1320433188 /nfs/dbraw/zinc/43/31/88/1320433188.db2.gz CJHXCFHVLLSEOA-INIZCTEOSA-N 1 2 336.838 3.219 20 30 EGEDLO CC(C)n1c[nH+]cc1/C=C1\COc2c(cc(F)cc2[N+](=O)[O-])C1=O ZINC000901488246 1317434989 /nfs/dbraw/zinc/43/49/89/1317434989.db2.gz CKFVNLHHBFCSDE-XCVCLJGOSA-N 1 2 331.303 3.170 20 30 EGEDLO CCOCCCn1c2ccccc2[nH+]c1NCc1cccc(C#N)n1 ZINC000902064823 1317515377 /nfs/dbraw/zinc/51/53/77/1317515377.db2.gz CXJMUXUNTAONKH-UHFFFAOYSA-N 1 2 335.411 3.342 20 30 EGEDLO C=C[C@H](C(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000957744077 1317609907 /nfs/dbraw/zinc/60/99/07/1317609907.db2.gz JUUVRVXYOSMGKG-SFHVURJKSA-N 1 2 326.465 3.362 20 30 EGEDLO COC(=O)c1ccc(Nc2ccc([NH+]3CCCCC3)cc2)c(C#N)n1 ZINC000809342407 1317799967 /nfs/dbraw/zinc/79/99/67/1317799967.db2.gz WHGIDIRDKIGODS-UHFFFAOYSA-N 1 2 336.395 3.474 20 30 EGEDLO COC(=O)c1ccc(CNc2[nH+]cccc2OCCCC#N)c(F)c1 ZINC000905411574 1317956209 /nfs/dbraw/zinc/95/62/09/1317956209.db2.gz MDUKOVIZPQOFNQ-UHFFFAOYSA-N 1 2 343.358 3.302 20 30 EGEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc(Br)nc1 ZINC000811697271 1318229846 /nfs/dbraw/zinc/22/98/46/1318229846.db2.gz YWTYMVODPNLZCA-AATRIKPKSA-N 1 2 328.169 3.388 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)nc1 ZINC000907816652 1318268015 /nfs/dbraw/zinc/26/80/15/1318268015.db2.gz VZSKCRMXRHTGBA-MRXNPFEDSA-N 1 2 348.450 3.121 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)nc1 ZINC000907816652 1318268024 /nfs/dbraw/zinc/26/80/24/1318268024.db2.gz VZSKCRMXRHTGBA-MRXNPFEDSA-N 1 2 348.450 3.121 20 30 EGEDLO C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000908645401 1318379324 /nfs/dbraw/zinc/37/93/24/1318379324.db2.gz UTKOSLAYMBKHRR-SFHVURJKSA-N 1 2 337.423 3.071 20 30 EGEDLO C=CCn1nnn(C[N@H+]2CC[C@@H](c3ccc(CC)cc3)C2)c1=S ZINC000814224548 1318704323 /nfs/dbraw/zinc/70/43/23/1318704323.db2.gz JIOUTLDCVRWVLR-MRXNPFEDSA-N 1 2 329.473 3.004 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2CC[C@@H](c3ccc(CC)cc3)C2)c1=S ZINC000814224548 1318704328 /nfs/dbraw/zinc/70/43/28/1318704328.db2.gz JIOUTLDCVRWVLR-MRXNPFEDSA-N 1 2 329.473 3.004 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)[C@H](C)c1nc(C2CC2)no1 ZINC000960790832 1318895200 /nfs/dbraw/zinc/89/52/00/1318895200.db2.gz NUERHAGDYSLGGD-HIFRSBDPSA-N 1 2 346.475 3.143 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)[C@H](C)c1nc(C2CC2)no1 ZINC000960790832 1318895210 /nfs/dbraw/zinc/89/52/10/1318895210.db2.gz NUERHAGDYSLGGD-HIFRSBDPSA-N 1 2 346.475 3.143 20 30 EGEDLO N#CC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000930254931 1328820993 /nfs/dbraw/zinc/82/09/93/1328820993.db2.gz JKPMYWZSWIVIES-NVXWUHKLSA-N 1 2 328.391 3.017 20 30 EGEDLO N#CC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000930254931 1328820997 /nfs/dbraw/zinc/82/09/97/1328820997.db2.gz JKPMYWZSWIVIES-NVXWUHKLSA-N 1 2 328.391 3.017 20 30 EGEDLO C#CCOc1ccccc1OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000817377711 1319344573 /nfs/dbraw/zinc/34/45/73/1319344573.db2.gz YVDRQNPTKSKAMU-UHFFFAOYSA-N 1 2 337.419 3.110 20 30 EGEDLO C=CCn1cc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)nn1 ZINC000818346440 1319534406 /nfs/dbraw/zinc/53/44/06/1319534406.db2.gz FFMVIDVJXHQZQH-SNVBAGLBSA-N 1 2 326.322 3.039 20 30 EGEDLO Cc1cc(=O)nc(NN=C2CC[NH+](Cc3ccccc3Cl)CC2)[nH]1 ZINC000915931838 1319565949 /nfs/dbraw/zinc/56/59/49/1319565949.db2.gz ILFLCCMKWDJSAA-UHFFFAOYSA-N 1 2 345.834 3.208 20 30 EGEDLO CCN(CCO)c1ccc(C=[NH+]Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000916268903 1319627345 /nfs/dbraw/zinc/62/73/45/1319627345.db2.gz FBUTXDYHFQDOTJ-UHFFFAOYSA-N 1 2 342.399 3.168 20 30 EGEDLO COc1cccc(NC(=S)N[NH+]=Cc2ccc(N(C)C)cc2)c1 ZINC000916298110 1319634627 /nfs/dbraw/zinc/63/46/27/1319634627.db2.gz GAPYYUGAMCCIAN-UHFFFAOYSA-N 1 2 328.441 3.082 20 30 EGEDLO Cn1c(CC#N)nn(C[N@@H+]2CC(C)(C)C[C@@H]2c2ccccc2)c1=S ZINC000819901067 1319796154 /nfs/dbraw/zinc/79/61/54/1319796154.db2.gz QNGWTKKOBDHHEZ-OAHLLOKOSA-N 1 2 341.484 3.448 20 30 EGEDLO Cn1c(CC#N)nn(C[N@H+]2CC(C)(C)C[C@@H]2c2ccccc2)c1=S ZINC000819901067 1319796160 /nfs/dbraw/zinc/79/61/60/1319796160.db2.gz QNGWTKKOBDHHEZ-OAHLLOKOSA-N 1 2 341.484 3.448 20 30 EGEDLO C#C[C@@H](NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)c1ccccc1 ZINC000820604651 1319919939 /nfs/dbraw/zinc/91/99/39/1319919939.db2.gz GGWSNSOFVHJLKI-QGZVFWFLSA-N 1 2 337.423 3.223 20 30 EGEDLO Nc1ccc(/C=C2\CCOc3cc(Br)ccc3C2=O)c[nH+]1 ZINC000821038703 1319995415 /nfs/dbraw/zinc/99/54/15/1319995415.db2.gz KTQVSZUPKIDLFS-YRNVUSSQSA-N 1 2 345.196 3.475 20 30 EGEDLO C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000821299614 1320005753 /nfs/dbraw/zinc/00/57/53/1320005753.db2.gz QGIOUFHYBCZQSJ-QGZVFWFLSA-N 1 2 344.455 3.405 20 30 EGEDLO C=CCOc1ccccc1-c1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1 ZINC000823382519 1320173416 /nfs/dbraw/zinc/17/34/16/1320173416.db2.gz ZTDAZBLUCGAZDQ-ZDUSSCGKSA-N 1 2 345.399 3.033 20 30 EGEDLO C[C@]1(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1(Cl)Cl ZINC000827374655 1320448451 /nfs/dbraw/zinc/44/84/51/1320448451.db2.gz ZPOIOMGULMXPHX-MRXNPFEDSA-N 1 2 338.282 3.260 20 30 EGEDLO Cc1cc(C#N)cc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000836772808 1320532733 /nfs/dbraw/zinc/53/27/33/1320532733.db2.gz AMVMUDNBYTUWEQ-MRXNPFEDSA-N 1 2 325.416 3.300 20 30 EGEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1C(=O)C2(CCC2)[C@@H]1c1cccnc1 ZINC000839959734 1321003213 /nfs/dbraw/zinc/00/32/13/1321003213.db2.gz NBURYLULZVPJJT-IBGZPJMESA-N 1 2 346.434 3.096 20 30 EGEDLO C[N@H+](Cc1cccc(C#N)c1)CN1C(=O)C2(CCC2)[C@@H]1c1cccnc1 ZINC000839959734 1321003214 /nfs/dbraw/zinc/00/32/14/1321003214.db2.gz NBURYLULZVPJJT-IBGZPJMESA-N 1 2 346.434 3.096 20 30 EGEDLO C=C(Br)C[NH+]1CCC(Oc2ccc(OC)cc2)CC1 ZINC000919648304 1322089374 /nfs/dbraw/zinc/08/93/74/1322089374.db2.gz LIPSVZLMARZSEY-UHFFFAOYSA-N 1 2 326.234 3.447 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000852319521 1323178566 /nfs/dbraw/zinc/17/85/66/1323178566.db2.gz OEECQMFXEVXKHE-ABAIWWIYSA-N 1 2 341.224 3.247 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000852319521 1323178572 /nfs/dbraw/zinc/17/85/72/1323178572.db2.gz OEECQMFXEVXKHE-ABAIWWIYSA-N 1 2 341.224 3.247 20 30 EGEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000852319692 1323179157 /nfs/dbraw/zinc/17/91/57/1323179157.db2.gz QWICXJOOAJNJOS-RBYWHNRPSA-N 1 2 337.467 3.493 20 30 EGEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000852319692 1323179159 /nfs/dbraw/zinc/17/91/59/1323179159.db2.gz QWICXJOOAJNJOS-RBYWHNRPSA-N 1 2 337.467 3.493 20 30 EGEDLO Cc1occc1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001024327474 1323313068 /nfs/dbraw/zinc/31/30/68/1323313068.db2.gz ZXGOXTLMOIEVQD-SFHVURJKSA-N 1 2 337.423 3.244 20 30 EGEDLO Cc1occc1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001024327474 1323313074 /nfs/dbraw/zinc/31/30/74/1323313074.db2.gz ZXGOXTLMOIEVQD-SFHVURJKSA-N 1 2 337.423 3.244 20 30 EGEDLO CC1CC(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cc(C#N)ccc2F)C1 ZINC001024387605 1323359856 /nfs/dbraw/zinc/35/98/56/1323359856.db2.gz QOHHHOYZRSEOHL-PVARCSIZSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1CC(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cc(C#N)ccc2F)C1 ZINC001024387605 1323359865 /nfs/dbraw/zinc/35/98/65/1323359865.db2.gz QOHHHOYZRSEOHL-PVARCSIZSA-N 1 2 343.446 3.214 20 30 EGEDLO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1scnc1C1CCCC1 ZINC001024537111 1323479906 /nfs/dbraw/zinc/47/99/06/1323479906.db2.gz ATMWCCJYYIAZJO-OAHLLOKOSA-N 1 2 331.485 3.018 20 30 EGEDLO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1scnc1C1CCCC1 ZINC001024537111 1323479910 /nfs/dbraw/zinc/47/99/10/1323479910.db2.gz ATMWCCJYYIAZJO-OAHLLOKOSA-N 1 2 331.485 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)CCOC2 ZINC001024550385 1323491882 /nfs/dbraw/zinc/49/18/82/1323491882.db2.gz HMJJJMUVHJJEOH-GOSISDBHSA-N 1 2 348.874 3.096 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)CCOC2 ZINC001024550385 1323491884 /nfs/dbraw/zinc/49/18/84/1323491884.db2.gz HMJJJMUVHJJEOH-GOSISDBHSA-N 1 2 348.874 3.096 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(F)c1F ZINC001024622185 1323550752 /nfs/dbraw/zinc/55/07/52/1323550752.db2.gz SSSBMLFJSCNZPT-GFCCVEGCSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(F)c1F ZINC001024622185 1323550759 /nfs/dbraw/zinc/55/07/59/1323550759.db2.gz SSSBMLFJSCNZPT-GFCCVEGCSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001024696848 1323612428 /nfs/dbraw/zinc/61/24/28/1323612428.db2.gz MOUHAPNRGLFYCH-OQIJWPOYSA-N 1 2 344.886 3.296 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001024696848 1323612435 /nfs/dbraw/zinc/61/24/35/1323612435.db2.gz MOUHAPNRGLFYCH-OQIJWPOYSA-N 1 2 344.886 3.296 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCCC[C@H]1C[NH2+]Cc1nnc(C(C)C)o1 ZINC001025069584 1323871065 /nfs/dbraw/zinc/87/10/65/1323871065.db2.gz LVEXCSAZNIXJGE-KXBFYZLASA-N 1 2 348.491 3.266 20 30 EGEDLO O=[N+]([O-])c1ccc(N[NH+]=Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000853255058 1325073092 /nfs/dbraw/zinc/07/30/92/1325073092.db2.gz QOSOFOZZARUMNG-UHFFFAOYSA-N 1 2 340.383 3.002 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NCCn1c(=O)[nH]c2ccccc21 ZINC000853415167 1325090900 /nfs/dbraw/zinc/09/09/00/1325090900.db2.gz QZLDIEVINLRERI-UHFFFAOYSA-N 1 2 336.395 3.041 20 30 EGEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]([N@H+](C)Cc2c(F)cccc2Cl)C1 ZINC001027330216 1325485352 /nfs/dbraw/zinc/48/53/52/1325485352.db2.gz LKCWEOJWMLKTAV-STQMWFEESA-N 1 2 337.826 3.062 20 30 EGEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]([N@@H+](C)Cc2c(F)cccc2Cl)C1 ZINC001027330216 1325485357 /nfs/dbraw/zinc/48/53/57/1325485357.db2.gz LKCWEOJWMLKTAV-STQMWFEESA-N 1 2 337.826 3.062 20 30 EGEDLO C[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C[C@@H]1NC(=O)C1CCC1 ZINC000964614376 1325580954 /nfs/dbraw/zinc/58/09/54/1325580954.db2.gz UXYOMNHTSGBWKT-BEFAXECRSA-N 1 2 344.886 3.318 20 30 EGEDLO C[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C[C@@H]1NC(=O)C1CCC1 ZINC000964614376 1325580964 /nfs/dbraw/zinc/58/09/64/1325580964.db2.gz UXYOMNHTSGBWKT-BEFAXECRSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([N@H+](C)Cc2csc(C)n2)C1 ZINC001027519068 1327790554 /nfs/dbraw/zinc/79/05/54/1327790554.db2.gz DLTIERPWQRNVRE-INIZCTEOSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2csc(C)n2)C1 ZINC001027519068 1327790560 /nfs/dbraw/zinc/79/05/60/1327790560.db2.gz DLTIERPWQRNVRE-INIZCTEOSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]([N@H+](C)Cc2nc(C)c(C)o2)C1 ZINC001027559981 1327872749 /nfs/dbraw/zinc/87/27/49/1327872749.db2.gz LUXOMQIOIMVARI-VQIMIIECSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2nc(C)c(C)o2)C1 ZINC001027559981 1327872756 /nfs/dbraw/zinc/87/27/56/1327872756.db2.gz LUXOMQIOIMVARI-VQIMIIECSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]([N@H+](C)Cc3ncc(C4CC4)o3)C2)C1 ZINC001027566141 1327892579 /nfs/dbraw/zinc/89/25/79/1327892579.db2.gz GTZGUJJYZZCQCT-INIZCTEOSA-N 1 2 343.471 3.331 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]([N@@H+](C)Cc3ncc(C4CC4)o3)C2)C1 ZINC001027566141 1327892589 /nfs/dbraw/zinc/89/25/89/1327892589.db2.gz GTZGUJJYZZCQCT-INIZCTEOSA-N 1 2 343.471 3.331 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]([N@@H+](C)Cc3ncc(CC)o3)C2)C1 ZINC001027567395 1327895075 /nfs/dbraw/zinc/89/50/75/1327895075.db2.gz VMKYTXJMXJOAMS-HNNXBMFYSA-N 1 2 331.460 3.016 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]([N@H+](C)Cc3ncc(CC)o3)C2)C1 ZINC001027567395 1327895080 /nfs/dbraw/zinc/89/50/80/1327895080.db2.gz VMKYTXJMXJOAMS-HNNXBMFYSA-N 1 2 331.460 3.016 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)CN1C[C@@H](c2ccccc2)OC1=O ZINC000863263854 1329541300 /nfs/dbraw/zinc/54/13/00/1329541300.db2.gz VRDDTNXRPUEKNV-SFHVURJKSA-N 1 2 326.396 3.461 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)CN1C[C@@H](c2ccccc2)OC1=O ZINC000863263854 1329541302 /nfs/dbraw/zinc/54/13/02/1329541302.db2.gz VRDDTNXRPUEKNV-SFHVURJKSA-N 1 2 326.396 3.461 20 30 EGEDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000867627299 1330211676 /nfs/dbraw/zinc/21/16/76/1330211676.db2.gz FBIJLYAPMYRQQY-UHFFFAOYSA-N 1 2 347.415 3.229 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)C2CC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC000946958070 1332943502 /nfs/dbraw/zinc/94/35/02/1332943502.db2.gz VOXYOPRCWKGNBW-PBHICJAKSA-N 1 2 330.859 3.071 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)C2CC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC000946958070 1332943504 /nfs/dbraw/zinc/94/35/04/1332943504.db2.gz VOXYOPRCWKGNBW-PBHICJAKSA-N 1 2 330.859 3.071 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2CCCCC2)C[C@H]1C ZINC000946997262 1332962491 /nfs/dbraw/zinc/96/24/91/1332962491.db2.gz UILCXXWXIIRKNX-HIFRSBDPSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2CCCCC2)C[C@H]1C ZINC000946997262 1332962493 /nfs/dbraw/zinc/96/24/93/1332962493.db2.gz UILCXXWXIIRKNX-HIFRSBDPSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C2CC(C)(C)C2)C[C@@H]1C ZINC000947271886 1333072741 /nfs/dbraw/zinc/07/27/41/1333072741.db2.gz OUUMSATZKYQHHQ-GXTWGEPZSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C2CC(C)(C)C2)C[C@@H]1C ZINC000947271886 1333072742 /nfs/dbraw/zinc/07/27/42/1333072742.db2.gz OUUMSATZKYQHHQ-GXTWGEPZSA-N 1 2 343.309 3.300 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)C2(C)CCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947613081 1333192422 /nfs/dbraw/zinc/19/24/22/1333192422.db2.gz ZYYCIVLNDZFHFV-RDTXWAMCSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)C2(C)CCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947613081 1333192425 /nfs/dbraw/zinc/19/24/25/1333192425.db2.gz ZYYCIVLNDZFHFV-RDTXWAMCSA-N 1 2 343.446 3.357 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nnc(C)s3)[C@H](C)C2)CC1 ZINC000947684121 1333222197 /nfs/dbraw/zinc/22/21/97/1333222197.db2.gz GBCFGTHGYSHQFB-CJNGLKHVSA-N 1 2 348.516 3.062 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(C)s3)[C@H](C)C2)CC1 ZINC000947684121 1333222201 /nfs/dbraw/zinc/22/22/01/1333222201.db2.gz GBCFGTHGYSHQFB-CJNGLKHVSA-N 1 2 348.516 3.062 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3nnc(C(C)C)o3)[C@@H](C)C2)C1 ZINC000947702584 1333232727 /nfs/dbraw/zinc/23/27/27/1333232727.db2.gz QARCTRCHHFMRHM-LSDHHAIUSA-N 1 2 346.475 3.018 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3nnc(C(C)C)o3)[C@@H](C)C2)C1 ZINC000947702584 1333232730 /nfs/dbraw/zinc/23/27/30/1333232730.db2.gz QARCTRCHHFMRHM-LSDHHAIUSA-N 1 2 346.475 3.018 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc2occc2c1 ZINC000948920195 1333734513 /nfs/dbraw/zinc/73/45/13/1333734513.db2.gz XYKVXFBNJYGLKA-HXUWFJFHSA-N 1 2 344.414 3.395 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc2occc2c1 ZINC000948920195 1333734516 /nfs/dbraw/zinc/73/45/16/1333734516.db2.gz XYKVXFBNJYGLKA-HXUWFJFHSA-N 1 2 344.414 3.395 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1scnc1CC ZINC000948923186 1333735774 /nfs/dbraw/zinc/73/57/74/1333735774.db2.gz BQOSTLJLUKEERS-KRWDZBQOSA-N 1 2 341.480 3.221 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1scnc1CC ZINC000948923186 1333735776 /nfs/dbraw/zinc/73/57/76/1333735776.db2.gz BQOSTLJLUKEERS-KRWDZBQOSA-N 1 2 341.480 3.221 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cscc1Cl ZINC000948928741 1333736982 /nfs/dbraw/zinc/73/69/82/1333736982.db2.gz KVROIEPWZLPZRV-QGZVFWFLSA-N 1 2 344.867 3.364 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cscc1Cl ZINC000948928741 1333736985 /nfs/dbraw/zinc/73/69/85/1333736985.db2.gz KVROIEPWZLPZRV-QGZVFWFLSA-N 1 2 344.867 3.364 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc2cnccc2o1 ZINC000948936228 1333740424 /nfs/dbraw/zinc/74/04/24/1333740424.db2.gz NEOANUAFRFAOPY-GOSISDBHSA-N 1 2 347.418 3.343 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc2cnccc2o1 ZINC000948936228 1333740425 /nfs/dbraw/zinc/74/04/25/1333740425.db2.gz NEOANUAFRFAOPY-GOSISDBHSA-N 1 2 347.418 3.343 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc2ccccc2[nH]1 ZINC000948982334 1333758144 /nfs/dbraw/zinc/75/81/44/1333758144.db2.gz KGHAKBBKLFUQPF-NRFANRHFSA-N 1 2 343.430 3.130 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc2ccccc2[nH]1 ZINC000948982334 1333758145 /nfs/dbraw/zinc/75/81/45/1333758145.db2.gz KGHAKBBKLFUQPF-NRFANRHFSA-N 1 2 343.430 3.130 20 30 EGEDLO C#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(F)cc3C)CC2)cc1 ZINC000949596768 1333881307 /nfs/dbraw/zinc/88/13/07/1333881307.db2.gz ALDHBSRCRWUFOB-UHFFFAOYSA-N 1 2 336.410 3.073 20 30 EGEDLO C#Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCc4ccc(F)cc43)CC2)cc1 ZINC000949597498 1333881385 /nfs/dbraw/zinc/88/13/85/1333881385.db2.gz ZKCOECUIWIIAMJ-NRFANRHFSA-N 1 2 348.421 3.252 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](Cc2cccc(OC)c2C)CC1 ZINC000950051027 1334003235 /nfs/dbraw/zinc/00/32/35/1334003235.db2.gz DZXKTLDIIJPLAM-FQEVSTJZSA-N 1 2 330.472 3.250 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc3c(o2)c(F)ccc3C)C1 ZINC000950961737 1334161402 /nfs/dbraw/zinc/16/14/02/1334161402.db2.gz SCHSYDBVHXRGJV-UHFFFAOYSA-N 1 2 328.387 3.050 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(C(F)F)c(F)c2)C1 ZINC000951738740 1334309879 /nfs/dbraw/zinc/30/98/79/1334309879.db2.gz WFFBNKZQRBZATR-UHFFFAOYSA-N 1 2 326.362 3.486 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2cccc(CC)c2)C1 ZINC000967007985 1335640820 /nfs/dbraw/zinc/64/08/20/1335640820.db2.gz OXQSAOHLTMVENV-KBXCAEBGSA-N 1 2 334.891 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2cccc(CC)c2)C1 ZINC000967007985 1335640822 /nfs/dbraw/zinc/64/08/22/1335640822.db2.gz OXQSAOHLTMVENV-KBXCAEBGSA-N 1 2 334.891 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cn(C)c3ccccc23)C1 ZINC000967272523 1335682134 /nfs/dbraw/zinc/68/21/34/1335682134.db2.gz BVVPXSYDBPNMON-GUYCJALGSA-N 1 2 345.874 3.371 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cn(C)c3ccccc23)C1 ZINC000967272523 1335682136 /nfs/dbraw/zinc/68/21/36/1335682136.db2.gz BVVPXSYDBPNMON-GUYCJALGSA-N 1 2 345.874 3.371 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(C)ccc2OC)C1 ZINC000967279618 1335686743 /nfs/dbraw/zinc/68/67/43/1335686743.db2.gz OKFCJKCWHOPFRI-CZUORRHYSA-N 1 2 336.863 3.196 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(C)ccc2OC)C1 ZINC000967279618 1335686744 /nfs/dbraw/zinc/68/67/44/1335686744.db2.gz OKFCJKCWHOPFRI-CZUORRHYSA-N 1 2 336.863 3.196 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc3c(cn2)CCCC3)C1 ZINC000967289765 1335691208 /nfs/dbraw/zinc/69/12/08/1335691208.db2.gz YFWSEZCTBVTOEN-FZKQIMNGSA-N 1 2 347.890 3.153 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc3c(cn2)CCCC3)C1 ZINC000967289765 1335691209 /nfs/dbraw/zinc/69/12/09/1335691209.db2.gz YFWSEZCTBVTOEN-FZKQIMNGSA-N 1 2 347.890 3.153 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC000968521754 1335952766 /nfs/dbraw/zinc/95/27/66/1335952766.db2.gz WGZMZSRXJUPKPU-SMDDNHRTSA-N 1 2 338.883 3.034 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC000968521754 1335952768 /nfs/dbraw/zinc/95/27/68/1335952768.db2.gz WGZMZSRXJUPKPU-SMDDNHRTSA-N 1 2 338.883 3.034 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc3oc(C)nc32)C1 ZINC000968687477 1336011587 /nfs/dbraw/zinc/01/15/87/1336011587.db2.gz BNEGSCODLLCMMI-IAQYHMDHSA-N 1 2 347.846 3.329 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc3oc(C)nc32)C1 ZINC000968687477 1336011589 /nfs/dbraw/zinc/01/15/89/1336011589.db2.gz BNEGSCODLLCMMI-IAQYHMDHSA-N 1 2 347.846 3.329 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cccc3scnc32)C1 ZINC000969662841 1336234028 /nfs/dbraw/zinc/23/40/28/1336234028.db2.gz DKVKWPKKJKNXMF-LLVKDONJSA-N 1 2 335.860 3.099 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2c(F)ccc3ccncc32)C1 ZINC000969719135 1336238953 /nfs/dbraw/zinc/23/89/53/1336238953.db2.gz XNTATZOUXYAKQD-LBPRGKRZSA-N 1 2 347.821 3.177 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(F)cc3ccoc32)C1 ZINC000970005842 1336271161 /nfs/dbraw/zinc/27/11/61/1336271161.db2.gz VVKYLVIWKXDXDE-LLVKDONJSA-N 1 2 336.794 3.375 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(Cl)c(OC)c2)C1 ZINC000970525055 1336316761 /nfs/dbraw/zinc/31/67/61/1336316761.db2.gz ABMULOCLRDQFSA-NSHDSACASA-N 1 2 343.254 3.151 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc3cccnc3c2)C1 ZINC000970610440 1336327512 /nfs/dbraw/zinc/32/75/12/1336327512.db2.gz NTNWPQVYTOMGPR-CYBMUJFWSA-N 1 2 329.831 3.037 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)s1 ZINC001006601925 1336535805 /nfs/dbraw/zinc/53/58/05/1336535805.db2.gz JLJKFGBQSVIXTC-QGZVFWFLSA-N 1 2 339.464 3.323 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)s1 ZINC001006601925 1336535807 /nfs/dbraw/zinc/53/58/07/1336535807.db2.gz JLJKFGBQSVIXTC-QGZVFWFLSA-N 1 2 339.464 3.323 20 30 EGEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)C1CC=CC1 ZINC001006966093 1336616427 /nfs/dbraw/zinc/61/64/27/1336616427.db2.gz BEUZOQXYLZOPBS-IBGZPJMESA-N 1 2 342.870 3.238 20 30 EGEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)C1CC=CC1 ZINC001006966093 1336616430 /nfs/dbraw/zinc/61/64/30/1336616430.db2.gz BEUZOQXYLZOPBS-IBGZPJMESA-N 1 2 342.870 3.238 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccc3ccc(C)nc32)C1 ZINC001007578984 1336671212 /nfs/dbraw/zinc/67/12/12/1336671212.db2.gz NCXICVAWSFNZFD-MRXNPFEDSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc3ccc(C)nc32)C1 ZINC001007578984 1336671215 /nfs/dbraw/zinc/67/12/15/1336671215.db2.gz NCXICVAWSFNZFD-MRXNPFEDSA-N 1 2 343.858 3.490 20 30 EGEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001007905695 1336730140 /nfs/dbraw/zinc/73/01/40/1336730140.db2.gz DTHQENFXUHAQNN-GUDVDZBRSA-N 1 2 339.483 3.321 20 30 EGEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001007905695 1336730141 /nfs/dbraw/zinc/73/01/41/1336730141.db2.gz DTHQENFXUHAQNN-GUDVDZBRSA-N 1 2 339.483 3.321 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001007950819 1336737974 /nfs/dbraw/zinc/73/79/74/1336737974.db2.gz IETSEMWHKIYFHK-DOTOQJQBSA-N 1 2 336.838 3.189 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001007950819 1336737975 /nfs/dbraw/zinc/73/79/75/1336737975.db2.gz IETSEMWHKIYFHK-DOTOQJQBSA-N 1 2 336.838 3.189 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001007950839 1336738159 /nfs/dbraw/zinc/73/81/59/1336738159.db2.gz IETSEMWHKIYFHK-RDJZCZTQSA-N 1 2 336.838 3.189 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001007950839 1336738163 /nfs/dbraw/zinc/73/81/63/1336738163.db2.gz IETSEMWHKIYFHK-RDJZCZTQSA-N 1 2 336.838 3.189 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCOc3ccccc32)C1 ZINC001008180232 1336785718 /nfs/dbraw/zinc/78/57/18/1336785718.db2.gz YOMDFAORIIEFHU-CVEARBPZSA-N 1 2 348.874 3.276 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCOc3ccccc32)C1 ZINC001008180232 1336785720 /nfs/dbraw/zinc/78/57/20/1336785720.db2.gz YOMDFAORIIEFHU-CVEARBPZSA-N 1 2 348.874 3.276 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCOc3ccccc32)C1 ZINC001008180237 1336786006 /nfs/dbraw/zinc/78/60/06/1336786006.db2.gz YOMDFAORIIEFHU-JKSUJKDBSA-N 1 2 348.874 3.276 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCOc3ccccc32)C1 ZINC001008180237 1336786009 /nfs/dbraw/zinc/78/60/09/1336786009.db2.gz YOMDFAORIIEFHU-JKSUJKDBSA-N 1 2 348.874 3.276 20 30 EGEDLO CC(C)(C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1)C1CC1 ZINC001008221957 1336795909 /nfs/dbraw/zinc/79/59/09/1336795909.db2.gz BNCDDMRPEGBHDY-QGZVFWFLSA-N 1 2 343.446 3.214 20 30 EGEDLO CC(C)(C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1)C1CC1 ZINC001008221957 1336795910 /nfs/dbraw/zinc/79/59/10/1336795910.db2.gz BNCDDMRPEGBHDY-QGZVFWFLSA-N 1 2 343.446 3.214 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001008221710 1336795917 /nfs/dbraw/zinc/79/59/17/1336795917.db2.gz ZYRDOYDXIBYMDS-IBGZPJMESA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001008221710 1336795918 /nfs/dbraw/zinc/79/59/18/1336795918.db2.gz ZYRDOYDXIBYMDS-IBGZPJMESA-N 1 2 337.467 3.219 20 30 EGEDLO C[C@@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)C=CCC1 ZINC001008230626 1336799488 /nfs/dbraw/zinc/79/94/88/1336799488.db2.gz MDJMOSVEGHVTMH-YLJYHZDGSA-N 1 2 341.430 3.134 20 30 EGEDLO C[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)C=CCC1 ZINC001008230626 1336799493 /nfs/dbraw/zinc/79/94/93/1336799493.db2.gz MDJMOSVEGHVTMH-YLJYHZDGSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cncc3sccc32)C1 ZINC001008301572 1336818378 /nfs/dbraw/zinc/81/83/78/1336818378.db2.gz ZMQKBBKWNMVWJQ-GFCCVEGCSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cncc3sccc32)C1 ZINC001008301572 1336818383 /nfs/dbraw/zinc/81/83/83/1336818383.db2.gz ZMQKBBKWNMVWJQ-GFCCVEGCSA-N 1 2 335.860 3.243 20 30 EGEDLO CC1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)CC=CC1 ZINC001008414904 1336846641 /nfs/dbraw/zinc/84/66/41/1336846641.db2.gz BHCROGOVIVDOQH-QGZVFWFLSA-N 1 2 341.430 3.134 20 30 EGEDLO CC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)CC=CC1 ZINC001008414904 1336846642 /nfs/dbraw/zinc/84/66/42/1336846642.db2.gz BHCROGOVIVDOQH-QGZVFWFLSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](Cc3cc(C4CC4)no3)C2)CC1 ZINC001008421854 1336848347 /nfs/dbraw/zinc/84/83/47/1336848347.db2.gz KTNUICVDKKCQSK-KRWDZBQOSA-N 1 2 343.471 3.379 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(C4CC4)no3)C2)CC1 ZINC001008421854 1336848348 /nfs/dbraw/zinc/84/83/48/1336848348.db2.gz KTNUICVDKKCQSK-KRWDZBQOSA-N 1 2 343.471 3.379 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC001008653203 1336903453 /nfs/dbraw/zinc/90/34/53/1336903453.db2.gz PCHJVECTNBOWLZ-CYBMUJFWSA-N 1 2 345.245 3.355 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC001008653203 1336903455 /nfs/dbraw/zinc/90/34/55/1336903455.db2.gz PCHJVECTNBOWLZ-CYBMUJFWSA-N 1 2 345.245 3.355 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)c2ccccc2F)C1 ZINC001008870737 1336934497 /nfs/dbraw/zinc/93/44/97/1336934497.db2.gz QBWDYFCFMYUMLK-CQSZACIVSA-N 1 2 338.854 3.436 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)c2ccccc2F)C1 ZINC001008870737 1336934499 /nfs/dbraw/zinc/93/44/99/1336934499.db2.gz QBWDYFCFMYUMLK-CQSZACIVSA-N 1 2 338.854 3.436 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1)C1CCCC1 ZINC001009151532 1336976926 /nfs/dbraw/zinc/97/69/26/1336976926.db2.gz GQEWEKRUFIUPHW-UZLBHIALSA-N 1 2 339.483 3.465 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1)C1CCCC1 ZINC001009151532 1336976928 /nfs/dbraw/zinc/97/69/28/1336976928.db2.gz GQEWEKRUFIUPHW-UZLBHIALSA-N 1 2 339.483 3.465 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1)c1ccccc1 ZINC001009244159 1336990136 /nfs/dbraw/zinc/99/01/36/1336990136.db2.gz FVWVLWNWSLXUHY-LAUBAEHRSA-N 1 2 347.462 3.443 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1)c1ccccc1 ZINC001009244159 1336990138 /nfs/dbraw/zinc/99/01/38/1336990138.db2.gz FVWVLWNWSLXUHY-LAUBAEHRSA-N 1 2 347.462 3.443 20 30 EGEDLO Cc1ccoc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001010218684 1337160693 /nfs/dbraw/zinc/16/06/93/1337160693.db2.gz GKBLTNWPDQAYCW-QGZVFWFLSA-N 1 2 342.826 3.097 20 30 EGEDLO Cc1ccoc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001010218684 1337160695 /nfs/dbraw/zinc/16/06/95/1337160695.db2.gz GKBLTNWPDQAYCW-QGZVFWFLSA-N 1 2 342.826 3.097 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(F)=C3CCCC3)C2)cc1F ZINC001010569538 1337225086 /nfs/dbraw/zinc/22/50/86/1337225086.db2.gz ZZQDSXHNPDOQRU-MRXNPFEDSA-N 1 2 345.393 3.185 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(F)=C3CCCC3)C2)cc1F ZINC001010569538 1337225089 /nfs/dbraw/zinc/22/50/89/1337225089.db2.gz ZZQDSXHNPDOQRU-MRXNPFEDSA-N 1 2 345.393 3.185 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001015394485 1338123032 /nfs/dbraw/zinc/12/30/32/1338123032.db2.gz WXGQEMDAEVZLAO-SJORKVTESA-N 1 2 347.409 3.074 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001015394485 1338123036 /nfs/dbraw/zinc/12/30/36/1338123036.db2.gz WXGQEMDAEVZLAO-SJORKVTESA-N 1 2 347.409 3.074 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2OC2CCC2)C1 ZINC001015678721 1338255423 /nfs/dbraw/zinc/25/54/23/1338255423.db2.gz LNJMOJVRVRZNPE-CQSZACIVSA-N 1 2 334.847 3.175 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2OC2CCC2)C1 ZINC001015678721 1338255427 /nfs/dbraw/zinc/25/54/27/1338255427.db2.gz LNJMOJVRVRZNPE-CQSZACIVSA-N 1 2 334.847 3.175 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC001015737914 1338278710 /nfs/dbraw/zinc/27/87/10/1338278710.db2.gz VPGQVOKBTHQCRF-SFHVURJKSA-N 1 2 344.418 3.044 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC001015737914 1338278712 /nfs/dbraw/zinc/27/87/12/1338278712.db2.gz VPGQVOKBTHQCRF-SFHVURJKSA-N 1 2 344.418 3.044 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CCCc3ccccc32)C1 ZINC001015854457 1338334813 /nfs/dbraw/zinc/33/48/13/1338334813.db2.gz FBVAUHFNANUHIE-LPHOPBHVSA-N 1 2 332.875 3.224 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CCCc3ccccc32)C1 ZINC001015854457 1338334818 /nfs/dbraw/zinc/33/48/18/1338334818.db2.gz FBVAUHFNANUHIE-LPHOPBHVSA-N 1 2 332.875 3.224 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)n(CC3CC3)c2C)C1 ZINC001016009905 1338404824 /nfs/dbraw/zinc/40/48/24/1338404824.db2.gz OPWILXGUYDBYNQ-MRXNPFEDSA-N 1 2 335.879 3.072 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)n(CC3CC3)c2C)C1 ZINC001016009905 1338404825 /nfs/dbraw/zinc/40/48/25/1338404825.db2.gz OPWILXGUYDBYNQ-MRXNPFEDSA-N 1 2 335.879 3.072 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001016304854 1338540303 /nfs/dbraw/zinc/54/03/03/1338540303.db2.gz INCXAYHXCNQFOF-BSLVTKGXSA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001016304854 1338540306 /nfs/dbraw/zinc/54/03/06/1338540306.db2.gz INCXAYHXCNQFOF-BSLVTKGXSA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001016316923 1338546390 /nfs/dbraw/zinc/54/63/90/1338546390.db2.gz SKTJCYYYEBLPNU-OAQYLSRUSA-N 1 2 345.446 3.440 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001016316923 1338546394 /nfs/dbraw/zinc/54/63/94/1338546394.db2.gz SKTJCYYYEBLPNU-OAQYLSRUSA-N 1 2 345.446 3.440 20 30 EGEDLO Cc1cccc(F)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001016407987 1338591369 /nfs/dbraw/zinc/59/13/69/1338591369.db2.gz GZSSRMGPVNOOOR-CYBMUJFWSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1cccc(F)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001016407987 1338591372 /nfs/dbraw/zinc/59/13/72/1338591372.db2.gz GZSSRMGPVNOOOR-CYBMUJFWSA-N 1 2 343.427 3.072 20 30 EGEDLO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(F)cc2)cc1 ZINC001017302001 1339004053 /nfs/dbraw/zinc/00/40/53/1339004053.db2.gz PQCZQZLUORHGNI-BGYRXZFFSA-N 1 2 349.409 3.186 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(F)cc2)cc1 ZINC001017302001 1339004055 /nfs/dbraw/zinc/00/40/55/1339004055.db2.gz PQCZQZLUORHGNI-BGYRXZFFSA-N 1 2 349.409 3.186 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001017630902 1339379242 /nfs/dbraw/zinc/37/92/42/1339379242.db2.gz ATUTVXJBUQCLNR-HKJRMUSSSA-N 1 2 328.500 3.291 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001017630902 1339379246 /nfs/dbraw/zinc/37/92/46/1339379246.db2.gz ATUTVXJBUQCLNR-HKJRMUSSSA-N 1 2 328.500 3.291 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001017725331 1339403554 /nfs/dbraw/zinc/40/35/54/1339403554.db2.gz AFMTXRPLIBKJJF-MHTWAQMVSA-N 1 2 336.479 3.269 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001017725331 1339403556 /nfs/dbraw/zinc/40/35/56/1339403556.db2.gz AFMTXRPLIBKJJF-MHTWAQMVSA-N 1 2 336.479 3.269 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2ccccc2)ccn1 ZINC001018102884 1339502016 /nfs/dbraw/zinc/50/20/16/1339502016.db2.gz NMXUOOSWYLOETP-BGYRXZFFSA-N 1 2 345.446 3.061 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2ccccc2)ccn1 ZINC001018102884 1339502019 /nfs/dbraw/zinc/50/20/19/1339502019.db2.gz NMXUOOSWYLOETP-BGYRXZFFSA-N 1 2 345.446 3.061 20 30 EGEDLO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(CC(C)(C)C)s1 ZINC001018150930 1339515554 /nfs/dbraw/zinc/51/55/54/1339515554.db2.gz WWNAHJUAUNILSJ-GASCZTMLSA-N 1 2 345.512 3.044 20 30 EGEDLO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(CC(C)(C)C)s1 ZINC001018150930 1339515556 /nfs/dbraw/zinc/51/55/56/1339515556.db2.gz WWNAHJUAUNILSJ-GASCZTMLSA-N 1 2 345.512 3.044 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC001018317904 1339574827 /nfs/dbraw/zinc/57/48/27/1339574827.db2.gz VWBUPWLYOIVPAQ-ZCNNSNEGSA-N 1 2 342.458 3.264 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC001018317904 1339574830 /nfs/dbraw/zinc/57/48/30/1339574830.db2.gz VWBUPWLYOIVPAQ-ZCNNSNEGSA-N 1 2 342.458 3.264 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C(F)(F)F)cn1 ZINC001028059748 1340403541 /nfs/dbraw/zinc/40/35/41/1340403541.db2.gz FZZFKHFVSLAMFM-LBPRGKRZSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C(F)(F)F)cn1 ZINC001028059748 1340403544 /nfs/dbraw/zinc/40/35/44/1340403544.db2.gz FZZFKHFVSLAMFM-LBPRGKRZSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2ncccc2c1 ZINC001028114942 1340437043 /nfs/dbraw/zinc/43/70/43/1340437043.db2.gz SQQVGRIGEHLTAE-MRXNPFEDSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2ncccc2c1 ZINC001028114942 1340437044 /nfs/dbraw/zinc/43/70/44/1340437044.db2.gz SQQVGRIGEHLTAE-MRXNPFEDSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnccc1C(F)(F)F ZINC001028167205 1340463492 /nfs/dbraw/zinc/46/34/92/1340463492.db2.gz UOYGCCPIPRYAMG-NSHDSACASA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnccc1C(F)(F)F ZINC001028167205 1340463493 /nfs/dbraw/zinc/46/34/93/1340463493.db2.gz UOYGCCPIPRYAMG-NSHDSACASA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(-c2cnco2)c1 ZINC001028236092 1340498045 /nfs/dbraw/zinc/49/80/45/1340498045.db2.gz IDJDYJIHRCNIIT-MRXNPFEDSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(-c2cnco2)c1 ZINC001028236092 1340498048 /nfs/dbraw/zinc/49/80/48/1340498048.db2.gz IDJDYJIHRCNIIT-MRXNPFEDSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001028244799 1340507266 /nfs/dbraw/zinc/50/72/66/1340507266.db2.gz LGWOQUKBNAQODD-UONOGXRCSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001028244799 1340507268 /nfs/dbraw/zinc/50/72/68/1340507268.db2.gz LGWOQUKBNAQODD-UONOGXRCSA-N 1 2 341.293 3.056 20 30 EGEDLO O=C(C[C@H]1C=CCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029355784 1340976272 /nfs/dbraw/zinc/97/62/72/1340976272.db2.gz HPTFIHKSUWOTFK-FDFHNCONSA-N 1 2 348.490 3.460 20 30 EGEDLO O=C(C[C@H]1C=CCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029355784 1340976273 /nfs/dbraw/zinc/97/62/73/1340976273.db2.gz HPTFIHKSUWOTFK-FDFHNCONSA-N 1 2 348.490 3.460 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1conc1CC ZINC001029419678 1340986112 /nfs/dbraw/zinc/98/61/12/1340986112.db2.gz IRNYROFVEMOPBE-IYBDPMFKSA-N 1 2 331.460 3.015 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1conc1CC ZINC001029419678 1340986116 /nfs/dbraw/zinc/98/61/16/1340986116.db2.gz IRNYROFVEMOPBE-IYBDPMFKSA-N 1 2 331.460 3.015 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2conc2CC)CC1 ZINC001029454595 1340994022 /nfs/dbraw/zinc/99/40/22/1340994022.db2.gz FJSAUVCUZMUZCT-HDICACEKSA-N 1 2 343.471 3.159 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2conc2CC)CC1 ZINC001029454595 1340994023 /nfs/dbraw/zinc/99/40/23/1340994023.db2.gz FJSAUVCUZMUZCT-HDICACEKSA-N 1 2 343.471 3.159 20 30 EGEDLO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N)c1ccco1 ZINC001029469855 1340997621 /nfs/dbraw/zinc/99/76/21/1340997621.db2.gz WNZRVCZUZUZJHA-ZYSHUDEJSA-N 1 2 349.434 3.130 20 30 EGEDLO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N)c1ccco1 ZINC001029469855 1340997622 /nfs/dbraw/zinc/99/76/22/1340997622.db2.gz WNZRVCZUZUZJHA-ZYSHUDEJSA-N 1 2 349.434 3.130 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2C#N)C1 ZINC001029500457 1341001598 /nfs/dbraw/zinc/00/15/98/1341001598.db2.gz DRMDCEWQRSIICJ-CPLUKWAASA-N 1 2 337.467 3.170 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2C#N)C1 ZINC001029500457 1341001599 /nfs/dbraw/zinc/00/15/99/1341001599.db2.gz DRMDCEWQRSIICJ-CPLUKWAASA-N 1 2 337.467 3.170 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001030027276 1341160878 /nfs/dbraw/zinc/16/08/78/1341160878.db2.gz CTLKNUAKKUXXQE-SFHLNBCPSA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001030027276 1341160879 /nfs/dbraw/zinc/16/08/79/1341160879.db2.gz CTLKNUAKKUXXQE-SFHLNBCPSA-N 1 2 337.467 3.219 20 30 EGEDLO C=CCOc1ccccc1C(=O)NC1C[NH+](Cc2ccccc2C)C1 ZINC001030542280 1341196200 /nfs/dbraw/zinc/19/62/00/1341196200.db2.gz WBSFABHIROKBHG-UHFFFAOYSA-N 1 2 336.435 3.174 20 30 EGEDLO CC1=C(C)C[C@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)CC1 ZINC001031697112 1341390150 /nfs/dbraw/zinc/39/01/50/1341390150.db2.gz YDWSKLILWJEQAF-GOSISDBHSA-N 1 2 337.467 3.243 20 30 EGEDLO C=CCn1cccc1C(=O)NCC1C[NH+](Cc2ccc(Cl)s2)C1 ZINC001031730946 1341394479 /nfs/dbraw/zinc/39/44/79/1341394479.db2.gz CDSFXISKTOONCQ-UHFFFAOYSA-N 1 2 349.887 3.251 20 30 EGEDLO CC1(C)CC[C@H](C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)C1 ZINC001031959930 1341432131 /nfs/dbraw/zinc/43/21/31/1341432131.db2.gz HFVHHBBXTQZOHZ-SFHVURJKSA-N 1 2 342.458 3.052 20 30 EGEDLO CC1(C)CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)C1 ZINC001031961652 1341432615 /nfs/dbraw/zinc/43/26/15/1341432615.db2.gz YRODAMPYCYAFNQ-MRXNPFEDSA-N 1 2 343.446 3.072 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)C1 ZINC001032180660 1341470078 /nfs/dbraw/zinc/47/00/78/1341470078.db2.gz JEXUQXJLNRTMFN-UHFFFAOYSA-N 1 2 331.847 3.199 20 30 EGEDLO C[C@H]1C[C@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)C[C@@H](C)C1 ZINC001032211001 1341473643 /nfs/dbraw/zinc/47/36/43/1341473643.db2.gz WRAZOXZETNKYDR-IGOJGBNBSA-N 1 2 339.483 3.179 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1oc(C(C)C)nc1C ZINC001032563455 1341541262 /nfs/dbraw/zinc/54/12/62/1341541262.db2.gz XFFBLCCYKFBCCF-GJZGRUSLSA-N 1 2 331.460 3.104 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1oc(C(C)C)nc1C ZINC001032563455 1341541263 /nfs/dbraw/zinc/54/12/63/1341541263.db2.gz XFFBLCCYKFBCCF-GJZGRUSLSA-N 1 2 331.460 3.104 20 30 EGEDLO Cc1cc(F)cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)c1 ZINC001032644955 1341568738 /nfs/dbraw/zinc/56/87/38/1341568738.db2.gz DJELVORZADVZGO-PMACEKPBSA-N 1 2 349.409 3.105 20 30 EGEDLO Cc1cc(F)cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)c1 ZINC001032644955 1341568740 /nfs/dbraw/zinc/56/87/40/1341568740.db2.gz DJELVORZADVZGO-PMACEKPBSA-N 1 2 349.409 3.105 20 30 EGEDLO O=C(CC(C1CC1)C1CC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032803035 1341619045 /nfs/dbraw/zinc/61/90/45/1341619045.db2.gz CPCPMIGDBBVSTB-SFTDATJTSA-N 1 2 348.490 3.150 20 30 EGEDLO O=C(CC(C1CC1)C1CC1)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032803035 1341619046 /nfs/dbraw/zinc/61/90/46/1341619046.db2.gz CPCPMIGDBBVSTB-SFTDATJTSA-N 1 2 348.490 3.150 20 30 EGEDLO CC1CC(C(=O)N(C)[C@H]2CC[N@H+](CC#Cc3ccccc3Cl)C2)C1 ZINC001032989417 1341687545 /nfs/dbraw/zinc/68/75/45/1341687545.db2.gz GHVQXBZYOFQKIU-VJFUWPCTSA-N 1 2 344.886 3.270 20 30 EGEDLO CC1CC(C(=O)N(C)[C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)C2)C1 ZINC001032989417 1341687546 /nfs/dbraw/zinc/68/75/46/1341687546.db2.gz GHVQXBZYOFQKIU-VJFUWPCTSA-N 1 2 344.886 3.270 20 30 EGEDLO Cc1csc(C(=O)N(C)[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)c1 ZINC001033057155 1341710499 /nfs/dbraw/zinc/71/04/99/1341710499.db2.gz KXOFEABOKFMVOM-SFHVURJKSA-N 1 2 338.476 3.255 20 30 EGEDLO Cc1csc(C(=O)N(C)[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c1 ZINC001033057155 1341710502 /nfs/dbraw/zinc/71/05/02/1341710502.db2.gz KXOFEABOKFMVOM-SFHVURJKSA-N 1 2 338.476 3.255 20 30 EGEDLO CN(C(=O)c1sccc1F)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033058892 1341711365 /nfs/dbraw/zinc/71/13/65/1341711365.db2.gz SOAYYWDBLCURSZ-INIZCTEOSA-N 1 2 342.439 3.085 20 30 EGEDLO CN(C(=O)c1sccc1F)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033058892 1341711366 /nfs/dbraw/zinc/71/13/66/1341711366.db2.gz SOAYYWDBLCURSZ-INIZCTEOSA-N 1 2 342.439 3.085 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001033112172 1341729351 /nfs/dbraw/zinc/72/93/51/1341729351.db2.gz RKBNUMDTIKDNSU-INIZCTEOSA-N 1 2 336.863 3.211 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001033112172 1341729353 /nfs/dbraw/zinc/72/93/53/1341729353.db2.gz RKBNUMDTIKDNSU-INIZCTEOSA-N 1 2 336.863 3.211 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ncoc2-c2ccccc2)C1 ZINC001033125893 1341733410 /nfs/dbraw/zinc/73/34/10/1341733410.db2.gz ITSDZDBTROTICR-OAHLLOKOSA-N 1 2 345.830 3.240 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ncoc2-c2ccccc2)C1 ZINC001033125893 1341733412 /nfs/dbraw/zinc/73/34/12/1341733412.db2.gz ITSDZDBTROTICR-OAHLLOKOSA-N 1 2 345.830 3.240 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccnn2C(CC)CC)C1 ZINC001033147955 1341739364 /nfs/dbraw/zinc/73/93/64/1341739364.db2.gz ALGVWZIXJFVSED-HNNXBMFYSA-N 1 2 338.883 3.143 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccnn2C(CC)CC)C1 ZINC001033147955 1341739370 /nfs/dbraw/zinc/73/93/70/1341739370.db2.gz ALGVWZIXJFVSED-HNNXBMFYSA-N 1 2 338.883 3.143 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C23CCC(CC2)C3)C1 ZINC001033193390 1341749240 /nfs/dbraw/zinc/74/92/40/1341749240.db2.gz GOIHODDQDGOPSV-BBBYJDLNSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C23CCC(CC2)C3)C1 ZINC001033193390 1341749241 /nfs/dbraw/zinc/74/92/41/1341749241.db2.gz GOIHODDQDGOPSV-BBBYJDLNSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)cc2F)C1 ZINC001033249343 1341757612 /nfs/dbraw/zinc/75/76/12/1341757612.db2.gz SEKYETRQYXOARH-GFCCVEGCSA-N 1 2 331.218 3.378 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)cc2F)C1 ZINC001033249343 1341757615 /nfs/dbraw/zinc/75/76/15/1341757615.db2.gz SEKYETRQYXOARH-GFCCVEGCSA-N 1 2 331.218 3.378 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2c(F)cccc2F)C1 ZINC001033268715 1341764200 /nfs/dbraw/zinc/76/42/00/1341764200.db2.gz BMGGFJYUJHUHKC-OLZOCXBDSA-N 1 2 342.817 3.354 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2c(F)cccc2F)C1 ZINC001033268715 1341764202 /nfs/dbraw/zinc/76/42/02/1341764202.db2.gz BMGGFJYUJHUHKC-OLZOCXBDSA-N 1 2 342.817 3.354 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C)c3cccnc23)C1 ZINC001033275613 1341765694 /nfs/dbraw/zinc/76/56/94/1341765694.db2.gz OIDQYPJYWUPAAX-HNNXBMFYSA-N 1 2 343.858 3.442 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C)c3cccnc23)C1 ZINC001033275613 1341765695 /nfs/dbraw/zinc/76/56/95/1341765695.db2.gz OIDQYPJYWUPAAX-HNNXBMFYSA-N 1 2 343.858 3.442 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(C(C)C)c2Cl)C1 ZINC001033302698 1341773754 /nfs/dbraw/zinc/77/37/54/1341773754.db2.gz DZELBQQEBUEOCK-GFCCVEGCSA-N 1 2 345.274 3.016 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(C(C)C)c2Cl)C1 ZINC001033302698 1341773755 /nfs/dbraw/zinc/77/37/55/1341773755.db2.gz DZELBQQEBUEOCK-GFCCVEGCSA-N 1 2 345.274 3.016 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc3cccc(OC)c3o2)C1 ZINC001033382829 1341804350 /nfs/dbraw/zinc/80/43/50/1341804350.db2.gz GRYUSOGLBFOXFU-AWEZNQCLSA-N 1 2 348.830 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc3cccc(OC)c3o2)C1 ZINC001033382829 1341804352 /nfs/dbraw/zinc/80/43/52/1341804352.db2.gz GRYUSOGLBFOXFU-AWEZNQCLSA-N 1 2 348.830 3.340 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(OCC)c(C)c2)C1 ZINC001033470818 1341839026 /nfs/dbraw/zinc/83/90/26/1341839026.db2.gz BHCYMCVJCIWDNJ-INIZCTEOSA-N 1 2 336.863 3.293 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(OCC)c(C)c2)C1 ZINC001033470818 1341839028 /nfs/dbraw/zinc/83/90/28/1341839028.db2.gz BHCYMCVJCIWDNJ-INIZCTEOSA-N 1 2 336.863 3.293 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)cc(OC)c2)C1 ZINC001033518937 1341855783 /nfs/dbraw/zinc/85/57/83/1341855783.db2.gz JHRVOCKVNCUVJZ-AWEZNQCLSA-N 1 2 343.254 3.247 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)cc(OC)c2)C1 ZINC001033518937 1341855786 /nfs/dbraw/zinc/85/57/86/1341855786.db2.gz JHRVOCKVNCUVJZ-AWEZNQCLSA-N 1 2 343.254 3.247 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3nc(C)ccc3c2)C1 ZINC001033520221 1341856225 /nfs/dbraw/zinc/85/62/25/1341856225.db2.gz QKECLIXOPPJYQW-QGZVFWFLSA-N 1 2 343.858 3.442 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3nc(C)ccc3c2)C1 ZINC001033520221 1341856226 /nfs/dbraw/zinc/85/62/26/1341856226.db2.gz QKECLIXOPPJYQW-QGZVFWFLSA-N 1 2 343.858 3.442 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3ccn(C)c3c2)C1 ZINC001033554889 1341869715 /nfs/dbraw/zinc/86/97/15/1341869715.db2.gz JXMUDVFRQUGLKD-MRXNPFEDSA-N 1 2 331.847 3.077 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3ccn(C)c3c2)C1 ZINC001033554889 1341869718 /nfs/dbraw/zinc/86/97/18/1341869718.db2.gz JXMUDVFRQUGLKD-MRXNPFEDSA-N 1 2 331.847 3.077 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2[nH]c3ccccc3c2OC)C1 ZINC001033696229 1341961558 /nfs/dbraw/zinc/96/15/58/1341961558.db2.gz JJPNUSROPXATDV-ZDUSSCGKSA-N 1 2 347.846 3.075 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2[nH]c3ccccc3c2OC)C1 ZINC001033696229 1341961562 /nfs/dbraw/zinc/96/15/62/1341961562.db2.gz JJPNUSROPXATDV-ZDUSSCGKSA-N 1 2 347.846 3.075 20 30 EGEDLO CN(C(=O)c1ccc(F)s1)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033700615 1341967076 /nfs/dbraw/zinc/96/70/76/1341967076.db2.gz BQIDDRAIRJHFJX-INIZCTEOSA-N 1 2 342.439 3.085 20 30 EGEDLO CN(C(=O)c1ccc(F)s1)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033700615 1341967077 /nfs/dbraw/zinc/96/70/77/1341967077.db2.gz BQIDDRAIRJHFJX-INIZCTEOSA-N 1 2 342.439 3.085 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2nccc3occc32)C1 ZINC001033904554 1342076980 /nfs/dbraw/zinc/07/69/80/1342076980.db2.gz VBEKDOVIMRPXQH-ZDUSSCGKSA-N 1 2 333.819 3.117 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2nccc3occc32)C1 ZINC001033904554 1342076983 /nfs/dbraw/zinc/07/69/83/1342076983.db2.gz VBEKDOVIMRPXQH-ZDUSSCGKSA-N 1 2 333.819 3.117 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001034013187 1342149673 /nfs/dbraw/zinc/14/96/73/1342149673.db2.gz LLMQNBFLBZJVNN-OKZBNKHCSA-N 1 2 332.875 3.465 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001034013187 1342149676 /nfs/dbraw/zinc/14/96/76/1342149676.db2.gz LLMQNBFLBZJVNN-OKZBNKHCSA-N 1 2 332.875 3.465 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001034054908 1342195630 /nfs/dbraw/zinc/19/56/30/1342195630.db2.gz TZICDHFTKIERAC-OAHLLOKOSA-N 1 2 338.883 3.061 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001034054908 1342195632 /nfs/dbraw/zinc/19/56/32/1342195632.db2.gz TZICDHFTKIERAC-OAHLLOKOSA-N 1 2 338.883 3.061 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)c2ccoc2C)C1 ZINC001034092208 1342231321 /nfs/dbraw/zinc/23/13/21/1342231321.db2.gz UZAILPNNSIYDDD-ZDUSSCGKSA-N 1 2 341.249 3.081 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)c2ccoc2C)C1 ZINC001034092208 1342231324 /nfs/dbraw/zinc/23/13/24/1342231324.db2.gz UZAILPNNSIYDDD-ZDUSSCGKSA-N 1 2 341.249 3.081 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccc3oc(C)nc3c2)C1 ZINC001034264749 1342356626 /nfs/dbraw/zinc/35/66/26/1342356626.db2.gz BGDYVSFECGNFRE-HNNXBMFYSA-N 1 2 347.846 3.473 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc3oc(C)nc3c2)C1 ZINC001034264749 1342356629 /nfs/dbraw/zinc/35/66/29/1342356629.db2.gz BGDYVSFECGNFRE-HNNXBMFYSA-N 1 2 347.846 3.473 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001034325147 1342400367 /nfs/dbraw/zinc/40/03/67/1342400367.db2.gz SJBOCHWLFQJLQM-IJEWVQPXSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001034325147 1342400370 /nfs/dbraw/zinc/40/03/70/1342400370.db2.gz SJBOCHWLFQJLQM-IJEWVQPXSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@H+](Cc3nccs3)C2)CC1 ZINC001034375796 1342445032 /nfs/dbraw/zinc/44/50/32/1342445032.db2.gz GGUXXIKYVMDZMR-INIZCTEOSA-N 1 2 333.501 3.360 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@@H+](Cc3nccs3)C2)CC1 ZINC001034375796 1342445034 /nfs/dbraw/zinc/44/50/34/1342445034.db2.gz GGUXXIKYVMDZMR-INIZCTEOSA-N 1 2 333.501 3.360 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)C2(C)CC=CC2)C1 ZINC001034375871 1342445666 /nfs/dbraw/zinc/44/56/66/1342445666.db2.gz GJDFICVPHXIYCM-CQSZACIVSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)C2(C)CC=CC2)C1 ZINC001034375871 1342445668 /nfs/dbraw/zinc/44/56/68/1342445668.db2.gz GJDFICVPHXIYCM-CQSZACIVSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ncsc2C2CC2)C1 ZINC001034398925 1342466421 /nfs/dbraw/zinc/46/64/21/1342466421.db2.gz QMFUWMFLCXUZAC-ZDUSSCGKSA-N 1 2 339.892 3.357 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ncsc2C2CC2)C1 ZINC001034398925 1342466426 /nfs/dbraw/zinc/46/64/26/1342466426.db2.gz QMFUWMFLCXUZAC-ZDUSSCGKSA-N 1 2 339.892 3.357 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC001034421544 1342483026 /nfs/dbraw/zinc/48/30/26/1342483026.db2.gz DDQYAFBVNCEPNE-UONOGXRCSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC001034421544 1342483029 /nfs/dbraw/zinc/48/30/29/1342483029.db2.gz DDQYAFBVNCEPNE-UONOGXRCSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[NH2+]Cc2nnc(C(C)C)o2)CC1 ZINC001035039590 1342892938 /nfs/dbraw/zinc/89/29/38/1342892938.db2.gz NXZQBQQZZPQFLN-MRXNPFEDSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc3ccc(F)cc3s2)C1 ZINC001035432064 1343091618 /nfs/dbraw/zinc/09/16/18/1343091618.db2.gz QKOHTGRMOAEFSE-HNNXBMFYSA-N 1 2 348.443 3.047 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc3ccc(F)cc3s2)C1 ZINC001035432064 1343091621 /nfs/dbraw/zinc/09/16/21/1343091621.db2.gz QKOHTGRMOAEFSE-HNNXBMFYSA-N 1 2 348.443 3.047 20 30 EGEDLO C[C@H](C#N)C(=O)N1CCC2(C[NH+](Cc3ccc(F)c(Cl)c3)C2)CC1 ZINC001035672130 1343130399 /nfs/dbraw/zinc/13/03/99/1343130399.db2.gz GLCOOPSNVSONME-CYBMUJFWSA-N 1 2 349.837 3.063 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[C@@H](C)c1ccncc1)CC2 ZINC001035733006 1343158930 /nfs/dbraw/zinc/15/89/30/1343158930.db2.gz KWGJNVSOWQNDIP-OAHLLOKOSA-N 1 2 347.890 3.252 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC2(C[NH+](Cc3ccc(F)cn3)C2)CC1 ZINC001035762481 1343175980 /nfs/dbraw/zinc/17/59/80/1343175980.db2.gz NUGWZMNAEXKCKM-UHFFFAOYSA-N 1 2 345.462 3.247 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)Cc1ccc(CC)cc1)CC2 ZINC001035806679 1343207777 /nfs/dbraw/zinc/20/77/77/1343207777.db2.gz ZYSPGYVIWKJZTL-UHFFFAOYSA-N 1 2 346.902 3.468 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ncoc1C(C)C)CC2 ZINC001035832540 1343219767 /nfs/dbraw/zinc/21/97/67/1343219767.db2.gz KNJBFODVGDAAIC-UHFFFAOYSA-N 1 2 337.851 3.089 20 30 EGEDLO C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038164881 1344306908 /nfs/dbraw/zinc/30/69/08/1344306908.db2.gz XCCGPPZORPYWSJ-BLLLJJGKSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038164881 1344306911 /nfs/dbraw/zinc/30/69/11/1344306911.db2.gz XCCGPPZORPYWSJ-BLLLJJGKSA-N 1 2 342.830 3.105 20 30 EGEDLO Cc1scc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)c1C ZINC001038287928 1344360270 /nfs/dbraw/zinc/36/02/70/1344360270.db2.gz RUJNTUMVJKLCHK-KRWDZBQOSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1scc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)c1C ZINC001038287928 1344360272 /nfs/dbraw/zinc/36/02/72/1344360272.db2.gz RUJNTUMVJKLCHK-KRWDZBQOSA-N 1 2 339.464 3.241 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C(C)C)n2)cc1 ZINC001038577696 1344492429 /nfs/dbraw/zinc/49/24/29/1344492429.db2.gz COAACSDVVNHRSB-HXUWFJFHSA-N 1 2 347.462 3.191 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C(C)C)n2)cc1 ZINC001038577696 1344492430 /nfs/dbraw/zinc/49/24/30/1344492430.db2.gz COAACSDVVNHRSB-HXUWFJFHSA-N 1 2 347.462 3.191 20 30 EGEDLO CC1(C)CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001038604398 1344499794 /nfs/dbraw/zinc/49/97/94/1344499794.db2.gz SYIXOXPHMDOIRA-DLBZAZTESA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001038604398 1344499796 /nfs/dbraw/zinc/49/97/96/1344499796.db2.gz SYIXOXPHMDOIRA-DLBZAZTESA-N 1 2 343.446 3.214 20 30 EGEDLO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)c(C)c1 ZINC001038983544 1344696218 /nfs/dbraw/zinc/69/62/18/1344696218.db2.gz ULQFJRZPOQOKSP-HNNXBMFYSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)c(C)c1 ZINC001038983544 1344696223 /nfs/dbraw/zinc/69/62/23/1344696223.db2.gz ULQFJRZPOQOKSP-HNNXBMFYSA-N 1 2 339.464 3.241 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(CC)c1 ZINC001039406348 1345051498 /nfs/dbraw/zinc/05/14/98/1345051498.db2.gz QNPWZQXSEAGSSF-SJORKVTESA-N 1 2 333.863 3.075 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(CC)c1 ZINC001039406348 1345051500 /nfs/dbraw/zinc/05/15/00/1345051500.db2.gz QNPWZQXSEAGSSF-SJORKVTESA-N 1 2 333.863 3.075 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1c(C)noc1CC ZINC001039820628 1345199149 /nfs/dbraw/zinc/19/91/49/1345199149.db2.gz KCMJBBDYOVNYDL-IYBDPMFKSA-N 1 2 345.487 3.323 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1c(C)noc1CC ZINC001039820628 1345199153 /nfs/dbraw/zinc/19/91/53/1345199153.db2.gz KCMJBBDYOVNYDL-IYBDPMFKSA-N 1 2 345.487 3.323 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1c(C)onc1CC ZINC001039827566 1345201694 /nfs/dbraw/zinc/20/16/94/1345201694.db2.gz QWRKFUQBVHUJQW-IYBDPMFKSA-N 1 2 345.487 3.323 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1c(C)onc1CC ZINC001039827566 1345201697 /nfs/dbraw/zinc/20/16/97/1345201697.db2.gz QWRKFUQBVHUJQW-IYBDPMFKSA-N 1 2 345.487 3.323 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cccnc2C)C1 ZINC001039906399 1345243510 /nfs/dbraw/zinc/24/35/10/1345243510.db2.gz NNZBUMPWZVGSCI-KDURUIRLSA-N 1 2 339.483 3.312 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cccnc2C)C1 ZINC001039906399 1345243514 /nfs/dbraw/zinc/24/35/14/1345243514.db2.gz NNZBUMPWZVGSCI-KDURUIRLSA-N 1 2 339.483 3.312 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H](Nc3cc[nH+]c(C)n3)C23CCC3)CC1 ZINC001041613151 1345794432 /nfs/dbraw/zinc/79/44/32/1345794432.db2.gz UZTXRDNJKHIHKK-DLBZAZTESA-N 1 2 340.471 3.371 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncc(C4CC4)o3)[C@@H]2C1 ZINC001042187473 1345974399 /nfs/dbraw/zinc/97/43/99/1345974399.db2.gz MYAKSGMHEGSEMJ-GDBMZVCRSA-N 1 2 343.471 3.187 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncc(C4CC4)o3)[C@@H]2C1 ZINC001042187473 1345974400 /nfs/dbraw/zinc/97/44/00/1345974400.db2.gz MYAKSGMHEGSEMJ-GDBMZVCRSA-N 1 2 343.471 3.187 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3scnc3Cl)C[C@H]21 ZINC001042360233 1346054303 /nfs/dbraw/zinc/05/43/03/1346054303.db2.gz PRFSBCGTCCWUKT-WDEREUQCSA-N 1 2 346.283 3.085 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3scnc3Cl)C[C@H]21 ZINC001042360233 1346054307 /nfs/dbraw/zinc/05/43/07/1346054307.db2.gz PRFSBCGTCCWUKT-WDEREUQCSA-N 1 2 346.283 3.085 20 30 EGEDLO C=CCn1cccc1C(=O)N(C)C1C[NH+](Cc2cccc(CC)c2)C1 ZINC001042931002 1346126102 /nfs/dbraw/zinc/12/61/02/1346126102.db2.gz RVDJLNXDYASMKO-UHFFFAOYSA-N 1 2 337.467 3.193 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001045146942 1346505663 /nfs/dbraw/zinc/50/56/63/1346505663.db2.gz AOVUWNOVQMWAIH-AWEZNQCLSA-N 1 2 348.491 3.050 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@H]2CC23CCC3)CC1 ZINC001045572091 1346632045 /nfs/dbraw/zinc/63/20/45/1346632045.db2.gz QTIUXVWLRFMFOA-CYBMUJFWSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ncc(CC)o2)C1 ZINC001045845220 1346719391 /nfs/dbraw/zinc/71/93/91/1346719391.db2.gz WTPJZAQPHJIOIF-CVEARBPZSA-N 1 2 343.471 3.159 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2ncc(CC)o2)C1 ZINC001045845220 1346719394 /nfs/dbraw/zinc/71/93/94/1346719394.db2.gz WTPJZAQPHJIOIF-CVEARBPZSA-N 1 2 343.471 3.159 20 30 EGEDLO Cc1ccsc1C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046103929 1346843407 /nfs/dbraw/zinc/84/34/07/1346843407.db2.gz GHUPOHNNEIMILZ-LJQANCHMSA-N 1 2 339.464 3.323 20 30 EGEDLO Cc1ccsc1C(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046103929 1346843410 /nfs/dbraw/zinc/84/34/10/1346843410.db2.gz GHUPOHNNEIMILZ-LJQANCHMSA-N 1 2 339.464 3.323 20 30 EGEDLO C[C@@]1(NC(=O)c2cccs2)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046115221 1346852984 /nfs/dbraw/zinc/85/29/84/1346852984.db2.gz GVOVENYHUSVEGC-LJQANCHMSA-N 1 2 342.439 3.133 20 30 EGEDLO C[C@@]1(NC(=O)c2cccs2)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046115221 1346852985 /nfs/dbraw/zinc/85/29/85/1346852985.db2.gz GVOVENYHUSVEGC-LJQANCHMSA-N 1 2 342.439 3.133 20 30 EGEDLO C[C@]1(NC(=O)c2ccoc2Cl)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046272171 1346917986 /nfs/dbraw/zinc/91/79/86/1346917986.db2.gz BOFRAEGORGOUCF-SFHVURJKSA-N 1 2 343.814 3.199 20 30 EGEDLO C[C@]1(NC(=O)c2ccoc2Cl)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046272171 1346917988 /nfs/dbraw/zinc/91/79/88/1346917988.db2.gz BOFRAEGORGOUCF-SFHVURJKSA-N 1 2 343.814 3.199 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc3ccccc3nc2C)C1 ZINC001046351620 1346945856 /nfs/dbraw/zinc/94/58/56/1346945856.db2.gz PSUGOFNXALQGLO-LJQANCHMSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc3ccccc3nc2C)C1 ZINC001046351620 1346945858 /nfs/dbraw/zinc/94/58/58/1346945858.db2.gz PSUGOFNXALQGLO-LJQANCHMSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(F)c(C)cc2F)C1 ZINC001046391924 1346959841 /nfs/dbraw/zinc/95/98/41/1346959841.db2.gz GINVTCTTZQLMHM-MRXNPFEDSA-N 1 2 328.790 3.220 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(F)c(C)cc2F)C1 ZINC001046391924 1346959842 /nfs/dbraw/zinc/95/98/42/1346959842.db2.gz GINVTCTTZQLMHM-MRXNPFEDSA-N 1 2 328.790 3.220 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2nccc3ccsc32)C1 ZINC001046393757 1346960043 /nfs/dbraw/zinc/96/00/43/1346960043.db2.gz IHVKFJQOHPERLT-MRXNPFEDSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2nccc3ccsc32)C1 ZINC001046393757 1346960044 /nfs/dbraw/zinc/96/00/44/1346960044.db2.gz IHVKFJQOHPERLT-MRXNPFEDSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2nccc3ccsc32)C1 ZINC001046393756 1346960440 /nfs/dbraw/zinc/96/04/40/1346960440.db2.gz IHVKFJQOHPERLT-INIZCTEOSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2nccc3ccsc32)C1 ZINC001046393756 1346960442 /nfs/dbraw/zinc/96/04/42/1346960442.db2.gz IHVKFJQOHPERLT-INIZCTEOSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001046491468 1346993251 /nfs/dbraw/zinc/99/32/51/1346993251.db2.gz VJJHQIBSCOUVQZ-FUHWJXTLSA-N 1 2 336.838 3.189 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001046491468 1346993253 /nfs/dbraw/zinc/99/32/53/1346993253.db2.gz VJJHQIBSCOUVQZ-FUHWJXTLSA-N 1 2 336.838 3.189 20 30 EGEDLO C=C1CCC(C(=O)N[C@]2(C)CC[N@@H+]([C@H](C)c3ncc(C)o3)C2)CC1 ZINC001046594058 1347030540 /nfs/dbraw/zinc/03/05/40/1347030540.db2.gz DBYLEWSLSCFUBT-DNVCBOLYSA-N 1 2 331.460 3.371 20 30 EGEDLO C=C1CCC(C(=O)N[C@]2(C)CC[N@H+]([C@H](C)c3ncc(C)o3)C2)CC1 ZINC001046594058 1347030542 /nfs/dbraw/zinc/03/05/42/1347030542.db2.gz DBYLEWSLSCFUBT-DNVCBOLYSA-N 1 2 331.460 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(N3CC=CC3)cc2)C1 ZINC001046620354 1347041326 /nfs/dbraw/zinc/04/13/26/1347041326.db2.gz ORZGIESNHGNWMH-IBGZPJMESA-N 1 2 345.874 3.010 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(N3CC=CC3)cc2)C1 ZINC001046620354 1347041327 /nfs/dbraw/zinc/04/13/27/1347041327.db2.gz ORZGIESNHGNWMH-IBGZPJMESA-N 1 2 345.874 3.010 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC001046660922 1347054343 /nfs/dbraw/zinc/05/43/43/1347054343.db2.gz DCRMEZAIVBAIKI-SFHVURJKSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC001046660922 1347054344 /nfs/dbraw/zinc/05/43/44/1347054344.db2.gz DCRMEZAIVBAIKI-SFHVURJKSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc3cccnc3c2)C1 ZINC001046707432 1347069116 /nfs/dbraw/zinc/06/91/16/1347069116.db2.gz VYEPQOVFMXBXMF-SFHVURJKSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc3cccnc3c2)C1 ZINC001046707432 1347069120 /nfs/dbraw/zinc/06/91/20/1347069120.db2.gz VYEPQOVFMXBXMF-SFHVURJKSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(N(CC)CC)cc2)C1 ZINC001046798734 1347109169 /nfs/dbraw/zinc/10/91/69/1347109169.db2.gz MDIMFEDVSLKNAS-LJQANCHMSA-N 1 2 349.906 3.480 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(N(CC)CC)cc2)C1 ZINC001046798734 1347109172 /nfs/dbraw/zinc/10/91/72/1347109172.db2.gz MDIMFEDVSLKNAS-LJQANCHMSA-N 1 2 349.906 3.480 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001046811655 1347113446 /nfs/dbraw/zinc/11/34/46/1347113446.db2.gz QKOWSAVUOVGUMU-WBVHZDCISA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001046811655 1347113447 /nfs/dbraw/zinc/11/34/47/1347113447.db2.gz QKOWSAVUOVGUMU-WBVHZDCISA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccoc2CC)C1 ZINC001046932115 1347156096 /nfs/dbraw/zinc/15/60/96/1347156096.db2.gz HNKDLMLDPMIRJY-LBPRGKRZSA-N 1 2 346.805 3.282 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccoc2CC)C1 ZINC001046932115 1347156098 /nfs/dbraw/zinc/15/60/98/1347156098.db2.gz HNKDLMLDPMIRJY-LBPRGKRZSA-N 1 2 346.805 3.282 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)C23CCC(CC2)C3)C1 ZINC001046954493 1347163075 /nfs/dbraw/zinc/16/30/75/1347163075.db2.gz SOVIKCWHIKPKPC-NPCAHTBFSA-N 1 2 346.849 3.393 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C23CCC(CC2)C3)C1 ZINC001046954493 1347163077 /nfs/dbraw/zinc/16/30/77/1347163077.db2.gz SOVIKCWHIKPKPC-NPCAHTBFSA-N 1 2 346.849 3.393 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CCCC1 ZINC001049279697 1347767180 /nfs/dbraw/zinc/76/71/80/1347767180.db2.gz JTARPKCFBBHOQQ-HUUCEWRRSA-N 1 2 341.293 3.151 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CCCC1 ZINC001049279697 1347767179 /nfs/dbraw/zinc/76/71/79/1347767179.db2.gz JTARPKCFBBHOQQ-HUUCEWRRSA-N 1 2 341.293 3.151 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC1(C)C ZINC001049416120 1347838782 /nfs/dbraw/zinc/83/87/82/1347838782.db2.gz QMYLOJMCCCTAIC-RDBSUJKOSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC1(C)C ZINC001049416120 1347838785 /nfs/dbraw/zinc/83/87/85/1347838785.db2.gz QMYLOJMCCCTAIC-RDBSUJKOSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3Cc2coc(C)n2)CC1 ZINC001049691081 1347973989 /nfs/dbraw/zinc/97/39/89/1347973989.db2.gz UCULPTJWDRXRJC-MOPGFXCFSA-N 1 2 343.471 3.295 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3Cc2coc(C)n2)CC1 ZINC001049691081 1347973991 /nfs/dbraw/zinc/97/39/91/1347973991.db2.gz UCULPTJWDRXRJC-MOPGFXCFSA-N 1 2 343.471 3.295 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C(C)C)no1 ZINC001049766493 1348010017 /nfs/dbraw/zinc/01/00/17/1348010017.db2.gz LRAKWWPILZBPAU-CABCVRRESA-N 1 2 337.851 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C(C)C)no1 ZINC001049766493 1348010021 /nfs/dbraw/zinc/01/00/21/1348010021.db2.gz LRAKWWPILZBPAU-CABCVRRESA-N 1 2 337.851 3.229 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(CCC)on1 ZINC001049822236 1348039212 /nfs/dbraw/zinc/03/92/12/1348039212.db2.gz LTVSJGIWVYOISX-HOTGVXAUSA-N 1 2 337.851 3.059 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(CCC)on1 ZINC001049822236 1348039214 /nfs/dbraw/zinc/03/92/14/1348039214.db2.gz LTVSJGIWVYOISX-HOTGVXAUSA-N 1 2 337.851 3.059 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1sccc1OC ZINC001049853365 1348059844 /nfs/dbraw/zinc/05/98/44/1348059844.db2.gz AADZVRDBGKYFBQ-QWHCGFSZSA-N 1 2 340.876 3.188 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1sccc1OC ZINC001049853365 1348059846 /nfs/dbraw/zinc/05/98/46/1348059846.db2.gz AADZVRDBGKYFBQ-QWHCGFSZSA-N 1 2 340.876 3.188 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)C ZINC001049856262 1348062883 /nfs/dbraw/zinc/06/28/83/1348062883.db2.gz DIYVCIAOJLJYHM-OLZOCXBDSA-N 1 2 329.282 3.006 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)C ZINC001049856262 1348062885 /nfs/dbraw/zinc/06/28/85/1348062885.db2.gz DIYVCIAOJLJYHM-OLZOCXBDSA-N 1 2 329.282 3.006 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc4cnccc4o3)[C@@H]2C1 ZINC001050086190 1348177711 /nfs/dbraw/zinc/17/77/11/1348177711.db2.gz YRPFHPONTYQFTR-DZGCQCFKSA-N 1 2 345.830 3.117 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc4cnccc4o3)[C@@H]2C1 ZINC001050086190 1348177713 /nfs/dbraw/zinc/17/77/13/1348177713.db2.gz YRPFHPONTYQFTR-DZGCQCFKSA-N 1 2 345.830 3.117 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cscc1C(F)F ZINC001050921145 1348373233 /nfs/dbraw/zinc/37/32/33/1348373233.db2.gz OUTDZEFBGMMCNV-LBPRGKRZSA-N 1 2 344.427 3.083 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cscc1C(F)F ZINC001050921145 1348373237 /nfs/dbraw/zinc/37/32/37/1348373237.db2.gz OUTDZEFBGMMCNV-LBPRGKRZSA-N 1 2 344.427 3.083 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)[C@@H]2C)CC1 ZINC001050956407 1348377438 /nfs/dbraw/zinc/37/74/38/1348377438.db2.gz FZGIXNDIYFIOBP-QAPCUYQASA-N 1 2 342.487 3.232 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc2c(s1)CCCC2 ZINC001051233981 1348407015 /nfs/dbraw/zinc/40/70/15/1348407015.db2.gz BQQOKMIKPBQVSD-MRXNPFEDSA-N 1 2 348.512 3.024 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cc2c(s1)CCCC2 ZINC001051233981 1348407016 /nfs/dbraw/zinc/40/70/16/1348407016.db2.gz BQQOKMIKPBQVSD-MRXNPFEDSA-N 1 2 348.512 3.024 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc2occc2c1 ZINC001054041606 1349136782 /nfs/dbraw/zinc/13/67/82/1349136782.db2.gz ORDABQNPOZCCNO-FQEVSTJZSA-N 1 2 344.414 3.223 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc2occc2c1 ZINC001054041606 1349136784 /nfs/dbraw/zinc/13/67/84/1349136784.db2.gz ORDABQNPOZCCNO-FQEVSTJZSA-N 1 2 344.414 3.223 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1occc1C(C)C ZINC001054049575 1349138035 /nfs/dbraw/zinc/13/80/35/1349138035.db2.gz BRMCAHNCMRZPSU-SFHVURJKSA-N 1 2 336.435 3.193 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1occc1C(C)C ZINC001054049575 1349138037 /nfs/dbraw/zinc/13/80/37/1349138037.db2.gz BRMCAHNCMRZPSU-SFHVURJKSA-N 1 2 336.435 3.193 20 30 EGEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(Br)ncc1F ZINC001231919409 1376351498 /nfs/dbraw/zinc/35/14/98/1376351498.db2.gz HMAIQVJRSMWANE-UHFFFAOYSA-N 1 2 334.192 3.487 20 30 EGEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(Br)ncc1F ZINC001231919409 1376351503 /nfs/dbraw/zinc/35/15/03/1376351503.db2.gz HMAIQVJRSMWANE-UHFFFAOYSA-N 1 2 334.192 3.487 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc4cc(C)cn4c3)cc2C1 ZINC001054267422 1349264751 /nfs/dbraw/zinc/26/47/51/1349264751.db2.gz UAGOIIGOTSRJBA-UHFFFAOYSA-N 1 2 343.430 3.127 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc4cc(C)cn4c3)cc2C1 ZINC001054267422 1349264753 /nfs/dbraw/zinc/26/47/53/1349264753.db2.gz UAGOIIGOTSRJBA-UHFFFAOYSA-N 1 2 343.430 3.127 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc4oc(C)nc4c3)cc2C1 ZINC001054270222 1349268633 /nfs/dbraw/zinc/26/86/33/1349268633.db2.gz FYHDVTPLRVQXIT-UHFFFAOYSA-N 1 2 345.402 3.015 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc4oc(C)nc4c3)cc2C1 ZINC001054270222 1349268640 /nfs/dbraw/zinc/26/86/40/1349268640.db2.gz FYHDVTPLRVQXIT-UHFFFAOYSA-N 1 2 345.402 3.015 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc(C)cc(OC)c3C)cc2C1 ZINC001054272970 1349272880 /nfs/dbraw/zinc/27/28/80/1349272880.db2.gz MXRVRAPCMXWCJO-UHFFFAOYSA-N 1 2 348.446 3.191 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc(C)cc(OC)c3C)cc2C1 ZINC001054272970 1349272882 /nfs/dbraw/zinc/27/28/82/1349272882.db2.gz MXRVRAPCMXWCJO-UHFFFAOYSA-N 1 2 348.446 3.191 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc4ccsc4[nH]3)cc2C1 ZINC001054276862 1349277594 /nfs/dbraw/zinc/27/75/94/1349277594.db2.gz YFYZXVTYXNZGIE-UHFFFAOYSA-N 1 2 335.432 3.108 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc4ccsc4[nH]3)cc2C1 ZINC001054276862 1349277596 /nfs/dbraw/zinc/27/75/96/1349277596.db2.gz YFYZXVTYXNZGIE-UHFFFAOYSA-N 1 2 335.432 3.108 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccccc3F)cc2C1 ZINC001054284938 1349286785 /nfs/dbraw/zinc/28/67/85/1349286785.db2.gz LTFOCGOQBSXQLQ-VQTJNVASSA-N 1 2 348.421 3.194 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccccc3F)cc2C1 ZINC001054284938 1349286788 /nfs/dbraw/zinc/28/67/88/1349286788.db2.gz LTFOCGOQBSXQLQ-VQTJNVASSA-N 1 2 348.421 3.194 20 30 EGEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2CN(c2cc[nH+]c(C)n2)C3)CC1 ZINC001055576255 1349677770 /nfs/dbraw/zinc/67/77/70/1349677770.db2.gz MPVJLLBHFBEXBP-PXNSSMCTSA-N 1 2 340.471 3.007 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001057000638 1349972008 /nfs/dbraw/zinc/97/20/08/1349972008.db2.gz CCHAZZJHTXQPAU-MRXNPFEDSA-N 1 2 342.487 3.302 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC(CNc2cc[nH+]c(C)n2)CC1 ZINC001057518029 1350063062 /nfs/dbraw/zinc/06/30/62/1350063062.db2.gz MRARRGLHVOPWAU-UHFFFAOYSA-N 1 2 336.867 3.214 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](CN(C)c2cc[nH+]c(C)n2)C1 ZINC001058699217 1350287248 /nfs/dbraw/zinc/28/72/48/1350287248.db2.gz ADAKXHHUCFLJBQ-INIZCTEOSA-N 1 2 330.476 3.062 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001059021483 1350338931 /nfs/dbraw/zinc/33/89/31/1350338931.db2.gz AZEUTLORQODHKD-HNNXBMFYSA-N 1 2 342.487 3.279 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@@H](Nc3nc(C)[nH+]c4c3CCCC4)C2)C1 ZINC001059811334 1350597257 /nfs/dbraw/zinc/59/72/57/1350597257.db2.gz IZNUBMJVCXZOKS-GASCZTMLSA-N 1 2 340.471 3.079 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc3ccsc3c2)C1 ZINC001080260297 1357539621 /nfs/dbraw/zinc/53/96/21/1357539621.db2.gz UMINNGSUZVLTIB-QMTHXVAHSA-N 1 2 335.860 3.099 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc3ccsc3c2)C1 ZINC001080260297 1357539624 /nfs/dbraw/zinc/53/96/24/1357539624.db2.gz UMINNGSUZVLTIB-QMTHXVAHSA-N 1 2 335.860 3.099 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001080270378 1357543827 /nfs/dbraw/zinc/54/38/27/1357543827.db2.gz QWUZIJBSRSOXTQ-VHDGCEQUSA-N 1 2 341.293 3.078 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001080270378 1357543832 /nfs/dbraw/zinc/54/38/32/1357543832.db2.gz QWUZIJBSRSOXTQ-VHDGCEQUSA-N 1 2 341.293 3.078 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2OC2CCC2)C1 ZINC001080407894 1357611360 /nfs/dbraw/zinc/61/13/60/1357611360.db2.gz UQRIMCBFLSOJJV-CXAGYDPISA-N 1 2 348.874 3.421 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2OC2CCC2)C1 ZINC001080407894 1357611361 /nfs/dbraw/zinc/61/13/61/1357611361.db2.gz UQRIMCBFLSOJJV-CXAGYDPISA-N 1 2 348.874 3.421 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]2CC1 ZINC001067458762 1353404190 /nfs/dbraw/zinc/40/41/90/1353404190.db2.gz QIZQOXRANSGXGL-FUHIMQAGSA-N 1 2 342.487 3.062 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001067784894 1353521540 /nfs/dbraw/zinc/52/15/40/1353521540.db2.gz BOTPZSVQNQUZIW-INIZCTEOSA-N 1 2 342.487 3.302 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC(N(C)c2nc(C)[nH+]c(C)c2C)CC1 ZINC001068721354 1353766447 /nfs/dbraw/zinc/76/64/47/1353766447.db2.gz IHNHTQJPLMIHOK-FQEVSTJZSA-N 1 2 344.503 3.431 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1)C(=O)c1occc1Cl ZINC001085802334 1358778359 /nfs/dbraw/zinc/77/83/59/1358778359.db2.gz RAFPARUNWWCSNK-HNNXBMFYSA-N 1 2 343.814 3.151 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1)C(=O)c1occc1Cl ZINC001085802334 1358778364 /nfs/dbraw/zinc/77/83/64/1358778364.db2.gz RAFPARUNWWCSNK-HNNXBMFYSA-N 1 2 343.814 3.151 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)C1(CC)CCC1)C[C@H](C)O2 ZINC001071198548 1354500036 /nfs/dbraw/zinc/50/00/36/1354500036.db2.gz ADEWDOHWFTUSNJ-YJBOKZPZSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C1(CC)CCC1)C[C@H](C)O2 ZINC001071198548 1354500040 /nfs/dbraw/zinc/50/00/40/1354500040.db2.gz ADEWDOHWFTUSNJ-YJBOKZPZSA-N 1 2 340.895 3.011 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)c2ccco2)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001071313203 1354573314 /nfs/dbraw/zinc/57/33/14/1354573314.db2.gz WFFNRZWELOIKMS-CRAIPNDOSA-N 1 2 340.398 3.053 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)c2ccco2)C[N@H+]1CC#Cc1ccc(F)cc1 ZINC001071313203 1354573318 /nfs/dbraw/zinc/57/33/18/1354573318.db2.gz WFFNRZWELOIKMS-CRAIPNDOSA-N 1 2 340.398 3.053 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)c2ccoc2)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001071350136 1354618110 /nfs/dbraw/zinc/61/81/10/1354618110.db2.gz QWJVJVJDXMPPNK-GUYCJALGSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)c2ccoc2)C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001071350136 1354618113 /nfs/dbraw/zinc/61/81/13/1354618113.db2.gz QWJVJVJDXMPPNK-GUYCJALGSA-N 1 2 341.386 3.073 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc3nc(C)oc3c2)CC[C@@H]1C ZINC001071579253 1354776685 /nfs/dbraw/zinc/77/66/85/1354776685.db2.gz BEVUKLWTLLVQRP-SWLSCSKDSA-N 1 2 347.846 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc3nc(C)oc3c2)CC[C@@H]1C ZINC001071579253 1354776688 /nfs/dbraw/zinc/77/66/88/1354776688.db2.gz BEVUKLWTLLVQRP-SWLSCSKDSA-N 1 2 347.846 3.471 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2ccoc2C2CC2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088820655 1360063090 /nfs/dbraw/zinc/06/30/90/1360063090.db2.gz FANJNGAUMHEIDW-KUHUBIRLSA-N 1 2 349.434 3.421 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2ccoc2C2CC2)CC[N@H+]1Cc1ccccc1C#N ZINC001088820655 1360063092 /nfs/dbraw/zinc/06/30/92/1360063092.db2.gz FANJNGAUMHEIDW-KUHUBIRLSA-N 1 2 349.434 3.421 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(F)c2Cl)[C@H]1C ZINC001088880960 1360087687 /nfs/dbraw/zinc/08/76/87/1360087687.db2.gz VUWBXPAZACGHEV-MFKMUULPSA-N 1 2 331.218 3.424 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(F)c2Cl)[C@H]1C ZINC001088880960 1360087690 /nfs/dbraw/zinc/08/76/90/1360087690.db2.gz VUWBXPAZACGHEV-MFKMUULPSA-N 1 2 331.218 3.424 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2noc3ccccc23)CC[C@H]1C ZINC001071662326 1354834079 /nfs/dbraw/zinc/83/40/79/1354834079.db2.gz CCGBSHRNTWKDHL-KGLIPLIRSA-N 1 2 347.846 3.092 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2noc3ccccc23)CC[C@H]1C ZINC001071662326 1354834082 /nfs/dbraw/zinc/83/40/82/1354834082.db2.gz CCGBSHRNTWKDHL-KGLIPLIRSA-N 1 2 347.846 3.092 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cccc3c2CCOC3)CC[C@H]1C ZINC001071678718 1354846061 /nfs/dbraw/zinc/84/60/61/1354846061.db2.gz GCIARJARDOPWRO-ZBFHGGJFSA-N 1 2 348.874 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cccc3c2CCOC3)CC[C@H]1C ZINC001071678718 1354846066 /nfs/dbraw/zinc/84/60/66/1354846066.db2.gz GCIARJARDOPWRO-ZBFHGGJFSA-N 1 2 348.874 3.095 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2sc(C)nc2C)CC[C@H]1C ZINC001071697839 1354858491 /nfs/dbraw/zinc/85/84/91/1354858491.db2.gz GQOQZKFRBWIRQG-BXUZGUMPSA-N 1 2 341.908 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2sc(C)nc2C)CC[C@H]1C ZINC001071697839 1354858495 /nfs/dbraw/zinc/85/84/95/1354858495.db2.gz GQOQZKFRBWIRQG-BXUZGUMPSA-N 1 2 341.908 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cccc(OC)c2F)CC[C@@H]1C ZINC001071923593 1355026324 /nfs/dbraw/zinc/02/63/24/1355026324.db2.gz KVXXTBPJLKCGIV-QWHCGFSZSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccc(OC)c2F)CC[C@@H]1C ZINC001071923593 1355026330 /nfs/dbraw/zinc/02/63/30/1355026330.db2.gz KVXXTBPJLKCGIV-QWHCGFSZSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cccc(N(C)C)c2)CC[C@H]1C ZINC001072023046 1355084973 /nfs/dbraw/zinc/08/49/73/1355084973.db2.gz KUDURTWCOITCFA-ZBFHGGJFSA-N 1 2 335.879 3.088 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cccc(N(C)C)c2)CC[C@H]1C ZINC001072023046 1355084976 /nfs/dbraw/zinc/08/49/76/1355084976.db2.gz KUDURTWCOITCFA-ZBFHGGJFSA-N 1 2 335.879 3.088 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)cn2CC)CC[C@@H]1C ZINC001072072764 1355112903 /nfs/dbraw/zinc/11/29/03/1355112903.db2.gz OXFDHXSZGAXZPC-JSGCOSHPSA-N 1 2 344.286 3.497 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc(Cl)cn2CC)CC[C@@H]1C ZINC001072072764 1355112906 /nfs/dbraw/zinc/11/29/06/1355112906.db2.gz OXFDHXSZGAXZPC-JSGCOSHPSA-N 1 2 344.286 3.497 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)C3CCCCC3)C2)C1 ZINC001072413427 1355278475 /nfs/dbraw/zinc/27/84/75/1355278475.db2.gz JXKYJROAEYXPEB-UHFFFAOYSA-N 1 2 341.293 3.010 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)C3CCCCC3)C2)C1 ZINC001072413427 1355278479 /nfs/dbraw/zinc/27/84/79/1355278479.db2.gz JXKYJROAEYXPEB-UHFFFAOYSA-N 1 2 341.293 3.010 20 30 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ZINC001072966723 1355527585 /nfs/dbraw/zinc/52/75/85/1355527585.db2.gz IJZJADHECRAOKV-UHFFFAOYSA-N 1 2 343.471 3.189 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc(Cl)c3C)C[C@H]21 ZINC001074249595 1356142678 /nfs/dbraw/zinc/14/26/78/1356142678.db2.gz VQLLGVAOCASDOD-MSOLQXFVSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc(Cl)c3C)C[C@H]21 ZINC001074249595 1356142680 /nfs/dbraw/zinc/14/26/80/1356142680.db2.gz VQLLGVAOCASDOD-MSOLQXFVSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2OCC[N@@H+](CC=C(C)C)[C@@H]2C1 ZINC001074253581 1356144744 /nfs/dbraw/zinc/14/47/44/1356144744.db2.gz XCLQCRJXSUPXBC-CVEARBPZSA-N 1 2 340.895 3.033 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2OCC[N@H+](CC=C(C)C)[C@@H]2C1 ZINC001074253581 1356144745 /nfs/dbraw/zinc/14/47/45/1356144745.db2.gz XCLQCRJXSUPXBC-CVEARBPZSA-N 1 2 340.895 3.033 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CC3(C)CCCCC3)C[C@H]21 ZINC001074290676 1356156562 /nfs/dbraw/zinc/15/65/62/1356156562.db2.gz AQDAPPGLPXAYDZ-QZTJIDSGSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CC3(C)CCCCC3)C[C@H]21 ZINC001074290676 1356156564 /nfs/dbraw/zinc/15/65/64/1356156564.db2.gz AQDAPPGLPXAYDZ-QZTJIDSGSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3nsc4ccccc43)[C@@H]2C1 ZINC001075829590 1356430280 /nfs/dbraw/zinc/43/02/80/1356430280.db2.gz CUGLQVYUCLZRCJ-GXTWGEPZSA-N 1 2 347.871 3.195 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3nsc4ccccc43)[C@@H]2C1 ZINC001075829590 1356430283 /nfs/dbraw/zinc/43/02/83/1356430283.db2.gz CUGLQVYUCLZRCJ-GXTWGEPZSA-N 1 2 347.871 3.195 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4nc(C)c(C)o4)C[C@H]32)CC1 ZINC001076209073 1356519593 /nfs/dbraw/zinc/51/95/93/1356519593.db2.gz YARMIHCVITZVLJ-ZWKOTPCHSA-N 1 2 343.471 3.071 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4nc(C)c(C)o4)C[C@H]32)CC1 ZINC001076209073 1356519595 /nfs/dbraw/zinc/51/95/95/1356519595.db2.gz YARMIHCVITZVLJ-ZWKOTPCHSA-N 1 2 343.471 3.071 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001077774878 1356839912 /nfs/dbraw/zinc/83/99/12/1356839912.db2.gz UUMAGUVTVKGZCG-AWEZNQCLSA-N 1 2 345.487 3.234 20 30 EGEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)c(C)o1 ZINC001084181803 1358155412 /nfs/dbraw/zinc/15/54/12/1358155412.db2.gz CYIJAYCDUUQBKS-UYAOXDASSA-N 1 2 349.434 3.115 20 30 EGEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)c(C)o1 ZINC001084181803 1358155415 /nfs/dbraw/zinc/15/54/15/1358155415.db2.gz CYIJAYCDUUQBKS-UYAOXDASSA-N 1 2 349.434 3.115 20 30 EGEDLO Cc1cc(C)c(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)o1 ZINC001084263163 1358177832 /nfs/dbraw/zinc/17/78/32/1358177832.db2.gz ZNBZSFAAKQXLAO-WOJBJXKFSA-N 1 2 348.446 3.094 20 30 EGEDLO Cc1cc(C)c(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)o1 ZINC001084263163 1358177834 /nfs/dbraw/zinc/17/78/34/1358177834.db2.gz ZNBZSFAAKQXLAO-WOJBJXKFSA-N 1 2 348.446 3.094 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4cc[nH]c43)[C@@H]2C1 ZINC001084677998 1358276362 /nfs/dbraw/zinc/27/63/62/1358276362.db2.gz QWZWWICQGOTULV-GDBMZVCRSA-N 1 2 329.831 3.067 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4cc[nH]c43)[C@@H]2C1 ZINC001084677998 1358276365 /nfs/dbraw/zinc/27/63/65/1358276365.db2.gz QWZWWICQGOTULV-GDBMZVCRSA-N 1 2 329.831 3.067 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)OC3CCCC3)[C@@H]2C1 ZINC001084695567 1358283798 /nfs/dbraw/zinc/28/37/98/1358283798.db2.gz XVHVHIAXITVYKS-OIISXLGYSA-N 1 2 340.895 3.009 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)OC3CCCC3)[C@@H]2C1 ZINC001084695567 1358283804 /nfs/dbraw/zinc/28/38/04/1358283804.db2.gz XVHVHIAXITVYKS-OIISXLGYSA-N 1 2 340.895 3.009 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4c3ccn4C)[C@@H]2C1 ZINC001084725399 1358293961 /nfs/dbraw/zinc/29/39/61/1358293961.db2.gz XTIDQHBUNFQWOQ-RDTXWAMCSA-N 1 2 343.858 3.077 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4c3ccn4C)[C@@H]2C1 ZINC001084725399 1358293962 /nfs/dbraw/zinc/29/39/62/1358293962.db2.gz XTIDQHBUNFQWOQ-RDTXWAMCSA-N 1 2 343.858 3.077 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C4CC4)cc3)[C@@H]2C1 ZINC001084845370 1358325878 /nfs/dbraw/zinc/32/58/78/1358325878.db2.gz KTMODAUDEYWBKP-QZTJIDSGSA-N 1 2 330.859 3.463 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C4CC4)cc3)[C@@H]2C1 ZINC001084845370 1358325882 /nfs/dbraw/zinc/32/58/82/1358325882.db2.gz KTMODAUDEYWBKP-QZTJIDSGSA-N 1 2 330.859 3.463 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)[C@@H]2C1 ZINC001084861243 1358333151 /nfs/dbraw/zinc/33/31/51/1358333151.db2.gz CZXPOEVIMZDCHI-BZZMCLGOSA-N 1 2 348.849 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)[C@@H]2C1 ZINC001084861243 1358333153 /nfs/dbraw/zinc/33/31/53/1358333153.db2.gz CZXPOEVIMZDCHI-BZZMCLGOSA-N 1 2 348.849 3.214 20 30 EGEDLO N#Cc1c[nH]c2cc(NC(=O)[C@H]3CC[N@@H+]3Cc3ccccc3)ccc12 ZINC001183750142 1387342495 /nfs/dbraw/zinc/34/24/95/1387342495.db2.gz DVNUDXPJVKQBOR-LJQANCHMSA-N 1 2 330.391 3.253 20 30 EGEDLO N#Cc1c[nH]c2cc(NC(=O)[C@H]3CC[N@H+]3Cc3ccccc3)ccc12 ZINC001183750142 1387342498 /nfs/dbraw/zinc/34/24/98/1387342498.db2.gz DVNUDXPJVKQBOR-LJQANCHMSA-N 1 2 330.391 3.253 20 30 EGEDLO CC1CC(C(=O)N(C)C[C@H]2CC[N@@H+]2CC#Cc2ccc(Cl)cc2)C1 ZINC001085540772 1358580356 /nfs/dbraw/zinc/58/03/56/1358580356.db2.gz GFRZBHIUPYDQLW-GXOAENINSA-N 1 2 344.886 3.270 20 30 EGEDLO CC1CC(C(=O)N(C)C[C@H]2CC[N@H+]2CC#Cc2ccc(Cl)cc2)C1 ZINC001085540772 1358580358 /nfs/dbraw/zinc/58/03/58/1358580358.db2.gz GFRZBHIUPYDQLW-GXOAENINSA-N 1 2 344.886 3.270 20 30 EGEDLO C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N)c1ccncc1 ZINC001183828756 1387354780 /nfs/dbraw/zinc/35/47/80/1387354780.db2.gz CUZCEAWRBIGNFD-OXQOHEQNSA-N 1 2 348.450 3.185 20 30 EGEDLO C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N)c1ccncc1 ZINC001183828756 1387354784 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347.821 3.319 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3c(cccc3OC)[nH]2)[C@H]1C ZINC001089035039 1360143717 /nfs/dbraw/zinc/14/37/17/1360143717.db2.gz FBNAZKYDMZJWPK-OCCSQVGLSA-N 1 2 347.846 3.122 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3c(cccc3OC)[nH]2)[C@H]1C ZINC001089035039 1360143720 /nfs/dbraw/zinc/14/37/20/1360143720.db2.gz FBNAZKYDMZJWPK-OCCSQVGLSA-N 1 2 347.846 3.122 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](C)N(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC001089129773 1360190721 /nfs/dbraw/zinc/19/07/21/1360190721.db2.gz RYTREWWNVKFPKH-GDBMZVCRSA-N 1 2 342.487 3.104 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(C)sn1 ZINC001089632001 1360549346 /nfs/dbraw/zinc/54/93/46/1360549346.db2.gz SOFAQPIFKRIEID-CYBMUJFWSA-N 1 2 341.908 3.424 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(C)sn1 ZINC001089632001 1360549347 /nfs/dbraw/zinc/54/93/47/1360549347.db2.gz SOFAQPIFKRIEID-CYBMUJFWSA-N 1 2 341.908 3.424 20 30 EGEDLO 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C=C(C)CCC(=O)NCC[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001099550432 1363843365 /nfs/dbraw/zinc/84/33/65/1363843365.db2.gz RILUYDAZSQRTRM-AWEZNQCLSA-N 1 2 330.476 3.327 20 30 EGEDLO CC#CCCCC(=O)NC[C@H]1CCCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC001100889493 1364314292 /nfs/dbraw/zinc/31/42/92/1364314292.db2.gz SCCMXIOISDMFJC-QGZVFWFLSA-N 1 2 342.487 3.187 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H]2CCCN2c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001100904348 1364324034 /nfs/dbraw/zinc/32/40/34/1364324034.db2.gz PNLJSZFRPWPKSW-MRXNPFEDSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001101017861 1364376124 /nfs/dbraw/zinc/37/61/24/1364376124.db2.gz QNXYUKBLXVTDEV-KRWDZBQOSA-N 1 2 342.487 3.113 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@@]2(C)C1 ZINC001101253804 1364487186 /nfs/dbraw/zinc/48/71/86/1364487186.db2.gz YCZBYOBMTOLHRW-RYDITDCPSA-N 1 2 331.287 3.442 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@@]2(C)C1 ZINC001101253804 1364487187 /nfs/dbraw/zinc/48/71/87/1364487187.db2.gz YCZBYOBMTOLHRW-RYDITDCPSA-N 1 2 331.287 3.442 20 30 EGEDLO C=CCCCC(=O)NCCN(c1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001101432975 1364560919 /nfs/dbraw/zinc/56/09/19/1364560919.db2.gz UGBNBBOEYXDAPV-UHFFFAOYSA-N 1 2 330.476 3.350 20 30 EGEDLO C=CCC(C)(C)C(=O)NCC[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102398203 1365038708 /nfs/dbraw/zinc/03/87/08/1365038708.db2.gz LPTMIWLLIHUQTD-QGZVFWFLSA-N 1 2 344.503 3.337 20 30 EGEDLO C=CCC1(C(=O)N(C)[C@H]2CCN(c3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001102712181 1365180558 /nfs/dbraw/zinc/18/05/58/1365180558.db2.gz AQYNZBNQALICJW-KRWDZBQOSA-N 1 2 342.487 3.349 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102749739 1365201069 /nfs/dbraw/zinc/20/10/69/1365201069.db2.gz AZOOEVIRVGSTLS-MRXNPFEDSA-N 1 2 330.476 3.041 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102750270 1365201532 /nfs/dbraw/zinc/20/15/32/1365201532.db2.gz IUBWFVQEUGJWIO-INIZCTEOSA-N 1 2 342.487 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1365327424 /nfs/dbraw/zinc/32/74/24/1365327424.db2.gz QHJSRTIQBBYLEN-CVEARBPZSA-N 1 2 348.491 3.196 20 30 EGEDLO C=CCC(CC=C)C(=O)NCCC1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001103693622 1365733384 /nfs/dbraw/zinc/73/33/84/1365733384.db2.gz FCQROVOALJXVQF-UHFFFAOYSA-N 1 2 342.487 3.276 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC2(CCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001103829917 1365803126 /nfs/dbraw/zinc/80/31/26/1365803126.db2.gz GEVJJOSMWOHSLI-UHFFFAOYSA-N 1 2 342.487 3.206 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H](C)CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001104211844 1365953581 /nfs/dbraw/zinc/95/35/81/1365953581.db2.gz PHLWJLORJMYUJY-ZDUSSCGKSA-N 1 2 328.460 3.183 20 30 EGEDLO CC#CCCCC(=O)N(C)[C@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001104770660 1366165343 /nfs/dbraw/zinc/16/53/43/1366165343.db2.gz BNVCJKNHBSSYKD-MRXNPFEDSA-N 1 2 330.476 3.361 20 30 EGEDLO C#CCCCC(=O)N[C@@H](CNc1cc(C)[nH+]c(C2CC2)n1)CC(C)C ZINC001104938476 1366231665 /nfs/dbraw/zinc/23/16/65/1366231665.db2.gz OFBNWWCHPBVDDU-QGZVFWFLSA-N 1 2 342.487 3.409 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1366632525 /nfs/dbraw/zinc/63/25/25/1366632525.db2.gz CNBBCOQDGOYVMW-HNNXBMFYSA-N 1 2 348.491 3.233 20 30 EGEDLO C=CCOCC(=O)NC/C=C\CNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001107074452 1366870473 /nfs/dbraw/zinc/87/04/73/1366870473.db2.gz IGSNVQIPPCHBFC-FPLPWBNLSA-N 1 2 346.475 3.010 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC/C=C\CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107464932 1366974205 /nfs/dbraw/zinc/97/42/05/1366974205.db2.gz ZYJVZNZKKSJARU-XHPSBEMXSA-N 1 2 328.460 3.349 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(F)c1 ZINC001109166230 1366983995 /nfs/dbraw/zinc/98/39/95/1366983995.db2.gz IQHRWZOEWGIHIK-MNEFBYGVSA-N 1 2 346.421 3.380 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(F)c1 ZINC001109166230 1366984002 /nfs/dbraw/zinc/98/40/02/1366984002.db2.gz IQHRWZOEWGIHIK-MNEFBYGVSA-N 1 2 346.421 3.380 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(F)cccc1F ZINC001109166108 1366984336 /nfs/dbraw/zinc/98/43/36/1366984336.db2.gz FHNBZRVJBQJAQW-CCKFTAQKSA-N 1 2 346.421 3.380 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(F)cccc1F ZINC001109166108 1366984340 /nfs/dbraw/zinc/98/43/40/1366984340.db2.gz FHNBZRVJBQJAQW-CCKFTAQKSA-N 1 2 346.421 3.380 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]([N@H+](C)Cc2ncc(-c3ccccc3)o2)C1 ZINC001189317953 1366986951 /nfs/dbraw/zinc/98/69/51/1366986951.db2.gz GNWRJIDAAJCEAG-KRWDZBQOSA-N 1 2 339.439 3.341 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(-c3ccccc3)o2)C1 ZINC001189317953 1366986956 /nfs/dbraw/zinc/98/69/56/1366986956.db2.gz GNWRJIDAAJCEAG-KRWDZBQOSA-N 1 2 339.439 3.341 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]([N@H+](C)Cc2cc(-c3cccs3)on2)C1 ZINC001189318664 1366988173 /nfs/dbraw/zinc/98/81/73/1366988173.db2.gz NQARNNYZLYIBIQ-HNNXBMFYSA-N 1 2 345.468 3.402 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(-c3cccs3)on2)C1 ZINC001189318664 1366988179 /nfs/dbraw/zinc/98/81/79/1366988179.db2.gz NQARNNYZLYIBIQ-HNNXBMFYSA-N 1 2 345.468 3.402 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H](C)CN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001109184821 1366991945 /nfs/dbraw/zinc/99/19/45/1366991945.db2.gz IPSQLROOCMPSAN-LSDHHAIUSA-N 1 2 344.503 3.207 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@H](C)C(C)C)C1 ZINC001189329084 1366993777 /nfs/dbraw/zinc/99/37/77/1366993777.db2.gz XITFXASFBWMPJJ-JSGCOSHPSA-N 1 2 331.298 3.110 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)C(C)C)C1 ZINC001189329084 1366993785 /nfs/dbraw/zinc/99/37/85/1366993785.db2.gz XITFXASFBWMPJJ-JSGCOSHPSA-N 1 2 331.298 3.110 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nncs1)CC2 ZINC001107515533 1367014202 /nfs/dbraw/zinc/01/42/02/1367014202.db2.gz WCRXZCLPIMLANI-IIDMSEBBSA-N 1 2 348.516 3.001 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nncs1)CC2 ZINC001107515533 1367014207 /nfs/dbraw/zinc/01/42/07/1367014207.db2.gz WCRXZCLPIMLANI-IIDMSEBBSA-N 1 2 348.516 3.001 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)/C=C/C(C)(C)C)C1 ZINC001189430146 1367020926 /nfs/dbraw/zinc/02/09/26/1367020926.db2.gz XONDYUUGFNEBJV-PDFOZTTASA-N 1 2 343.446 3.332 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)/C=C/C(C)(C)C)C1 ZINC001189430146 1367020929 /nfs/dbraw/zinc/02/09/29/1367020929.db2.gz XONDYUUGFNEBJV-PDFOZTTASA-N 1 2 343.446 3.332 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)cs1 ZINC001109338651 1367064939 /nfs/dbraw/zinc/06/49/39/1367064939.db2.gz SLGLOAYLTFDRHC-ILXRZTDVSA-N 1 2 333.501 3.275 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001109338651 1367064944 /nfs/dbraw/zinc/06/49/44/1367064944.db2.gz SLGLOAYLTFDRHC-ILXRZTDVSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC1CCOCC1)C2 ZINC001109381652 1367096683 /nfs/dbraw/zinc/09/66/83/1367096683.db2.gz GOOOLCDXWQUCOB-IKGGRYGDSA-N 1 2 340.895 3.057 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC1CCOCC1)C2 ZINC001109381652 1367096692 /nfs/dbraw/zinc/09/66/92/1367096692.db2.gz GOOOLCDXWQUCOB-IKGGRYGDSA-N 1 2 340.895 3.057 20 30 EGEDLO C#Cc1ccc(C(=O)N(C)CCCNc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC001109574547 1367207527 /nfs/dbraw/zinc/20/75/27/1367207527.db2.gz IIHBRVUOLQUBAU-UHFFFAOYSA-N 1 2 348.450 3.218 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N(C)CCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001109586715 1367212724 /nfs/dbraw/zinc/21/27/24/1367212724.db2.gz IWQDQITWDANMEZ-HUUCEWRRSA-N 1 2 344.503 3.382 20 30 EGEDLO CC#CCCCC(=O)N(C)CCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001109587834 1367213681 /nfs/dbraw/zinc/21/36/81/1367213681.db2.gz BNWXEVKTBLRTOT-UHFFFAOYSA-N 1 2 328.460 3.116 20 30 EGEDLO C=C(C)CCC(=O)NC[C@]1(C)C[N@H+](Cc2csc(C)c2)CCO1 ZINC001107976124 1367226462 /nfs/dbraw/zinc/22/64/62/1367226462.db2.gz CSFRPDQSPFVIBD-GOSISDBHSA-N 1 2 336.501 3.120 20 30 EGEDLO C=C(C)CCC(=O)NC[C@]1(C)C[N@@H+](Cc2csc(C)c2)CCO1 ZINC001107976124 1367226468 /nfs/dbraw/zinc/22/64/68/1367226468.db2.gz CSFRPDQSPFVIBD-GOSISDBHSA-N 1 2 336.501 3.120 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@H+](C)Cc2nc(C)c(C)o2)C1 ZINC001190328407 1367228332 /nfs/dbraw/zinc/22/83/32/1367228332.db2.gz IIQBAVBOOKNWAX-QGZVFWFLSA-N 1 2 331.460 3.093 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(C)c(C)o2)C1 ZINC001190328407 1367228333 /nfs/dbraw/zinc/22/83/33/1367228333.db2.gz IIQBAVBOOKNWAX-QGZVFWFLSA-N 1 2 331.460 3.093 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2nc(C3CC3)no2)C1 ZINC001190387374 1367247734 /nfs/dbraw/zinc/24/77/34/1367247734.db2.gz CLDMSSSBWCTBMK-UKRRQHHQSA-N 1 2 346.475 3.143 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2nc(C3CC3)no2)C1 ZINC001190387374 1367247737 /nfs/dbraw/zinc/24/77/37/1367247737.db2.gz CLDMSSSBWCTBMK-UKRRQHHQSA-N 1 2 346.475 3.143 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001109634409 1367252948 /nfs/dbraw/zinc/25/29/48/1367252948.db2.gz LUCBPHRGVXNPPJ-CBZIJGRNSA-N 1 2 331.460 3.115 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001109634409 1367252953 /nfs/dbraw/zinc/25/29/53/1367252953.db2.gz LUCBPHRGVXNPPJ-CBZIJGRNSA-N 1 2 331.460 3.115 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109683620 1367280777 /nfs/dbraw/zinc/28/07/77/1367280777.db2.gz VEQAUHIXFQLLRG-JKBKZWBZSA-N 1 2 337.467 3.382 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109683620 1367280780 /nfs/dbraw/zinc/28/07/80/1367280780.db2.gz VEQAUHIXFQLLRG-JKBKZWBZSA-N 1 2 337.467 3.382 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001109683221 1367280850 /nfs/dbraw/zinc/28/08/50/1367280850.db2.gz BXNAOWQQIAVWAG-LLDVTBCESA-N 1 2 333.501 3.275 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001109683221 1367280852 /nfs/dbraw/zinc/28/08/52/1367280852.db2.gz BXNAOWQQIAVWAG-LLDVTBCESA-N 1 2 333.501 3.275 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cncc(F)c2)CCC1 ZINC001109683549 1367280903 /nfs/dbraw/zinc/28/09/03/1367280903.db2.gz QRXDCKMUWIVQDD-SQNIBIBYSA-N 1 2 343.446 3.189 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cncc(F)c2)CCC1 ZINC001109683549 1367280905 /nfs/dbraw/zinc/28/09/05/1367280905.db2.gz QRXDCKMUWIVQDD-SQNIBIBYSA-N 1 2 343.446 3.189 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2CC(C)(C)CC(C)(C)C2)C1 ZINC001108100436 1367282106 /nfs/dbraw/zinc/28/21/06/1367282106.db2.gz WPEOVYSWBUWKPN-FQEVSTJZSA-N 1 2 336.520 3.232 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2CC(C)(C)CC(C)(C)C2)C1 ZINC001108100436 1367282110 /nfs/dbraw/zinc/28/21/10/1367282110.db2.gz WPEOVYSWBUWKPN-FQEVSTJZSA-N 1 2 336.520 3.232 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@]1(C)C[N@H+]([C@H](C)c2ccc(F)cc2)CCO1 ZINC001108121805 1367290986 /nfs/dbraw/zinc/29/09/86/1367290986.db2.gz GOPMZYBUJBEIJT-FOIQADDNSA-N 1 2 348.462 3.306 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@]1(C)C[N@@H+]([C@H](C)c2ccc(F)cc2)CCO1 ZINC001108121805 1367290989 /nfs/dbraw/zinc/29/09/89/1367290989.db2.gz GOPMZYBUJBEIJT-FOIQADDNSA-N 1 2 348.462 3.306 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)OC1CCCC1)C2 ZINC001109779944 1367318204 /nfs/dbraw/zinc/31/82/04/1367318204.db2.gz CCBVRKFQJLZHSY-BSWAZPDLSA-N 1 2 340.895 3.198 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)OC1CCCC1)C2 ZINC001109779944 1367318207 /nfs/dbraw/zinc/31/82/07/1367318207.db2.gz CCBVRKFQJLZHSY-BSWAZPDLSA-N 1 2 340.895 3.198 20 30 EGEDLO C=CCCCC(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(F)cc2C)CCO1 ZINC001108169621 1367319692 /nfs/dbraw/zinc/31/96/92/1367319692.db2.gz SJXIDRKETYIGMF-FQEVSTJZSA-N 1 2 348.462 3.198 20 30 EGEDLO C=CCCCC(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(F)cc2C)CCO1 ZINC001108169621 1367319696 /nfs/dbraw/zinc/31/96/96/1367319696.db2.gz SJXIDRKETYIGMF-FQEVSTJZSA-N 1 2 348.462 3.198 20 30 EGEDLO C=CCCCC(=O)NC[C@]1(C)C[N@H+](C/C=C/c2ccccc2)CCO1 ZINC001108168479 1367320338 /nfs/dbraw/zinc/32/03/38/1367320338.db2.gz BENRMGCBILRJAU-VZOQVYJPSA-N 1 2 342.483 3.263 20 30 EGEDLO C=CCCCC(=O)NC[C@]1(C)C[N@@H+](C/C=C/c2ccccc2)CCO1 ZINC001108168479 1367320342 /nfs/dbraw/zinc/32/03/42/1367320342.db2.gz BENRMGCBILRJAU-VZOQVYJPSA-N 1 2 342.483 3.263 20 30 EGEDLO C=CCC1(C(=O)NC[C@]2(C)C[N@H+](Cc3ccsc3)CCO2)CCC1 ZINC001108187220 1367330400 /nfs/dbraw/zinc/33/04/00/1367330400.db2.gz BVWGJKDUOFPBBD-GOSISDBHSA-N 1 2 348.512 3.202 20 30 EGEDLO C=CCC1(C(=O)NC[C@]2(C)C[N@@H+](Cc3ccsc3)CCO2)CCC1 ZINC001108187220 1367330404 /nfs/dbraw/zinc/33/04/04/1367330404.db2.gz BVWGJKDUOFPBBD-GOSISDBHSA-N 1 2 348.512 3.202 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@]1(C)C[N@H+](Cc2ccsc2)CCO1 ZINC001108188426 1367331582 /nfs/dbraw/zinc/33/15/82/1367331582.db2.gz SPJLRBNPPFPDLL-ZWKOTPCHSA-N 1 2 336.501 3.058 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@]1(C)C[N@@H+](Cc2ccsc2)CCO1 ZINC001108188426 1367331591 /nfs/dbraw/zinc/33/15/91/1367331591.db2.gz SPJLRBNPPFPDLL-ZWKOTPCHSA-N 1 2 336.501 3.058 20 30 EGEDLO N#Cc1ccc(Cl)c(S(=O)(=O)Nc2cc[nH+]c(C3CC3)c2)c1 ZINC001190942360 1367387372 /nfs/dbraw/zinc/38/73/72/1367387372.db2.gz FBSLZBIBCXIXLP-UHFFFAOYSA-N 1 2 333.800 3.285 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc3cc(C)ccc3s2)C1 ZINC001108316643 1367388445 /nfs/dbraw/zinc/38/84/45/1367388445.db2.gz AJSRCFLEBNJRDU-LJQANCHMSA-N 1 2 344.480 3.216 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc3cc(C)ccc3s2)C1 ZINC001108316643 1367388449 /nfs/dbraw/zinc/38/84/49/1367388449.db2.gz AJSRCFLEBNJRDU-LJQANCHMSA-N 1 2 344.480 3.216 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H](c2ccccc2)C(C)C)C1 ZINC001108336417 1367396340 /nfs/dbraw/zinc/39/63/40/1367396340.db2.gz CKACJSYWLQTDCU-TZIWHRDSSA-N 1 2 344.499 3.209 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H](c2ccccc2)C(C)C)C1 ZINC001108336417 1367396342 /nfs/dbraw/zinc/39/63/42/1367396342.db2.gz CKACJSYWLQTDCU-TZIWHRDSSA-N 1 2 344.499 3.209 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H](C)CCc2ccccc2)C1 ZINC001108432025 1367456002 /nfs/dbraw/zinc/45/60/02/1367456002.db2.gz ADWGYBOZWQQDNO-WIYYLYMNSA-N 1 2 344.499 3.039 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H](C)CCc2ccccc2)C1 ZINC001108432025 1367456004 /nfs/dbraw/zinc/45/60/04/1367456004.db2.gz ADWGYBOZWQQDNO-WIYYLYMNSA-N 1 2 344.499 3.039 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ncoc2C(C)C)C1 ZINC001191860012 1367617038 /nfs/dbraw/zinc/61/70/38/1367617038.db2.gz VQKNWTNHRFLATN-MRXNPFEDSA-N 1 2 331.460 3.024 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncoc2C(C)C)C1 ZINC001191860012 1367617046 /nfs/dbraw/zinc/61/70/46/1367617046.db2.gz VQKNWTNHRFLATN-MRXNPFEDSA-N 1 2 331.460 3.024 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2noc3c2CCCC3)C1 ZINC001191913603 1367637823 /nfs/dbraw/zinc/63/78/23/1367637823.db2.gz ZMRZZSNOPWIDBU-JKSUJKDBSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2noc3c2CCCC3)C1 ZINC001191913603 1367637828 /nfs/dbraw/zinc/63/78/28/1367637828.db2.gz ZMRZZSNOPWIDBU-JKSUJKDBSA-N 1 2 345.487 3.188 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2nc(CCCC)no2)C1 ZINC001192059553 1367677289 /nfs/dbraw/zinc/67/72/89/1367677289.db2.gz HHBGBFHTOBLPBD-HZPDHXFCSA-N 1 2 348.491 3.362 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2nc(CCCC)no2)C1 ZINC001192059553 1367677293 /nfs/dbraw/zinc/67/72/93/1367677293.db2.gz HHBGBFHTOBLPBD-HZPDHXFCSA-N 1 2 348.491 3.362 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2nnc(CC(C)C)o2)C1 ZINC001192094907 1367686406 /nfs/dbraw/zinc/68/64/06/1367686406.db2.gz XRHRYEIPXKBNKS-HZPDHXFCSA-N 1 2 348.491 3.218 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2nnc(CC(C)C)o2)C1 ZINC001192094907 1367686412 /nfs/dbraw/zinc/68/64/12/1367686412.db2.gz XRHRYEIPXKBNKS-HZPDHXFCSA-N 1 2 348.491 3.218 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3ncc(CC)o3)C2)CC1 ZINC001192180335 1367708480 /nfs/dbraw/zinc/70/84/80/1367708480.db2.gz HWHZDKRASUJKBH-HNNXBMFYSA-N 1 2 331.460 3.016 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3ncc(CC)o3)C2)CC1 ZINC001192180335 1367708482 /nfs/dbraw/zinc/70/84/82/1367708482.db2.gz HWHZDKRASUJKBH-HNNXBMFYSA-N 1 2 331.460 3.016 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC2(C1)CCN(c1cc[nH+]c(C)n1)CC2 ZINC001110463687 1367753812 /nfs/dbraw/zinc/75/38/12/1367753812.db2.gz RMCYACFWHJCUOK-CVEARBPZSA-N 1 2 342.487 3.062 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC2(C1)CCN(c1cc[nH+]c(C)n1)CC2 ZINC001110463689 1367753920 /nfs/dbraw/zinc/75/39/20/1367753920.db2.gz RMCYACFWHJCUOK-HZPDHXFCSA-N 1 2 342.487 3.062 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001109120861 1367781880 /nfs/dbraw/zinc/78/18/80/1367781880.db2.gz IPIYEJBBDIVOHD-HNNXBMFYSA-N 1 2 332.492 3.452 20 30 EGEDLO Cc1cc(N[C@@H]2CCN(C(=O)C#CC(C)C)[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC001110512454 1367794774 /nfs/dbraw/zinc/79/47/74/1367794774.db2.gz JLAVVMKDMBANTE-DLBZAZTESA-N 1 2 342.487 3.359 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)C[C@H]1C ZINC001110525166 1367806148 /nfs/dbraw/zinc/80/61/48/1367806148.db2.gz JUEIWKCRRHMFLE-WBVHZDCISA-N 1 2 328.460 3.160 20 30 EGEDLO C[C@H](c1cc(F)ccc1F)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110543381 1367821285 /nfs/dbraw/zinc/82/12/85/1367821285.db2.gz PEFIPACWWUKQGT-SNTIZLKRSA-N 1 2 344.405 3.161 20 30 EGEDLO C[C@H](c1cc(F)ccc1F)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110543381 1367821290 /nfs/dbraw/zinc/82/12/90/1367821290.db2.gz PEFIPACWWUKQGT-SNTIZLKRSA-N 1 2 344.405 3.161 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C1CCCC1 ZINC001110682268 1367924337 /nfs/dbraw/zinc/92/43/37/1367924337.db2.gz PITSCSKMEGUFGM-INIZCTEOSA-N 1 2 330.476 3.474 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCC1(C)CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110890253 1368064341 /nfs/dbraw/zinc/06/43/41/1368064341.db2.gz IMFSWYUGFOSWTB-HNNXBMFYSA-N 1 2 330.476 3.110 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1ncc(C)o1 ZINC001110890950 1368065173 /nfs/dbraw/zinc/06/51/73/1368065173.db2.gz NHTZNLUQXMOTSX-JJXSEGSLSA-N 1 2 331.460 3.368 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1ncc(C)o1 ZINC001110890950 1368065177 /nfs/dbraw/zinc/06/51/77/1368065177.db2.gz NHTZNLUQXMOTSX-JJXSEGSLSA-N 1 2 331.460 3.368 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110989750 1368136616 /nfs/dbraw/zinc/13/66/16/1368136616.db2.gz VEQAUHIXFQLLRG-BNDYYXHWSA-N 1 2 337.467 3.382 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110989750 1368136619 /nfs/dbraw/zinc/13/66/19/1368136619.db2.gz VEQAUHIXFQLLRG-BNDYYXHWSA-N 1 2 337.467 3.382 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]([C@H](C)Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001111211404 1368191864 /nfs/dbraw/zinc/19/18/64/1368191864.db2.gz SKEGLGTZQOAWGJ-HOCLYGCPSA-N 1 2 342.487 3.279 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@H]([C@H](C)Nc3cc[nH+]c(C)n3)C2)CC1 ZINC001111231219 1368207409 /nfs/dbraw/zinc/20/74/09/1368207409.db2.gz WOKKEXMOTNWMRM-HOCLYGCPSA-N 1 2 328.460 3.180 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H]2CC[C@H](CNc3cc[nH+]c(C)n3)CC2)C1 ZINC001111277642 1368244389 /nfs/dbraw/zinc/24/43/89/1368244389.db2.gz BBYTWMMPQUMCAK-QAQDUYKDSA-N 1 2 342.487 3.476 20 30 EGEDLO CC/C=C(\C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001195079642 1368372797 /nfs/dbraw/zinc/37/27/97/1368372797.db2.gz RGCZFNVKOJVHLW-PJQLUOCWSA-N 1 2 329.419 3.088 20 30 EGEDLO CC/C=C(\C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001195079642 1368372802 /nfs/dbraw/zinc/37/28/02/1368372802.db2.gz RGCZFNVKOJVHLW-PJQLUOCWSA-N 1 2 329.419 3.088 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@H](CNc2cc[nH+]c(C)n2)CC1 ZINC001111645319 1368408566 /nfs/dbraw/zinc/40/85/66/1368408566.db2.gz HZBBJNSCVQMZDT-IYARVYRRSA-N 1 2 342.487 3.456 20 30 EGEDLO CCC[C@H](C)C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001195384352 1368430613 /nfs/dbraw/zinc/43/06/13/1368430613.db2.gz XCLIZMSNZRLDAM-HNNXBMFYSA-N 1 2 331.435 3.168 20 30 EGEDLO CCC[C@H](C)C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001195384352 1368430618 /nfs/dbraw/zinc/43/06/18/1368430618.db2.gz XCLIZMSNZRLDAM-HNNXBMFYSA-N 1 2 331.435 3.168 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@@H+](Cc2cccc(F)c2Cl)CC1 ZINC001195674577 1368469854 /nfs/dbraw/zinc/46/98/54/1368469854.db2.gz HSGBJJAYIRDDEU-UHFFFAOYSA-N 1 2 336.838 3.317 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@H+](Cc2cccc(F)c2Cl)CC1 ZINC001195674577 1368469858 /nfs/dbraw/zinc/46/98/58/1368469858.db2.gz HSGBJJAYIRDDEU-UHFFFAOYSA-N 1 2 336.838 3.317 20 30 EGEDLO C=CC(C)(C)C(=O)NCC1(Nc2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001111884232 1368527735 /nfs/dbraw/zinc/52/77/35/1368527735.db2.gz YFWAWRDIDNHFHZ-UHFFFAOYSA-N 1 2 328.460 3.325 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[N@@H+](Cc2cc(F)ccc2OC)CC1 ZINC001196010171 1368535091 /nfs/dbraw/zinc/53/50/91/1368535091.db2.gz JVASCJAQXXJTMN-UHFFFAOYSA-N 1 2 334.435 3.225 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[N@H+](Cc2cc(F)ccc2OC)CC1 ZINC001196010171 1368535094 /nfs/dbraw/zinc/53/50/94/1368535094.db2.gz JVASCJAQXXJTMN-UHFFFAOYSA-N 1 2 334.435 3.225 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CCCN(c3cc[nH+]c(C)n3)CC2)CCCC1 ZINC001111993581 1368596782 /nfs/dbraw/zinc/59/67/82/1368596782.db2.gz KDNOEDMSSDXKGT-QGZVFWFLSA-N 1 2 342.487 3.397 20 30 EGEDLO C#CCCCCC(=O)N(C)CCCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001112061869 1368640877 /nfs/dbraw/zinc/64/08/77/1368640877.db2.gz QWKCREMOJDQEDA-UHFFFAOYSA-N 1 2 344.503 3.387 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[N@@H+](Cc2ccc(Cl)nc2)CC1 ZINC001196769318 1368679820 /nfs/dbraw/zinc/67/98/20/1368679820.db2.gz BTKSTRTTZGFGDF-UHFFFAOYSA-N 1 2 347.890 3.353 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[N@H+](Cc2ccc(Cl)nc2)CC1 ZINC001196769318 1368679823 /nfs/dbraw/zinc/67/98/23/1368679823.db2.gz BTKSTRTTZGFGDF-UHFFFAOYSA-N 1 2 347.890 3.353 20 30 EGEDLO C=CCCCC(=O)N(C)CCCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001112167525 1368696280 /nfs/dbraw/zinc/69/62/80/1368696280.db2.gz ZUEDOINDAXIGJX-UHFFFAOYSA-N 1 2 344.503 3.305 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001196853771 1368700343 /nfs/dbraw/zinc/70/03/43/1368700343.db2.gz LYWYUOZHVBDQTJ-HZPDHXFCSA-N 1 2 343.446 3.190 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001196853771 1368700344 /nfs/dbraw/zinc/70/03/44/1368700344.db2.gz LYWYUOZHVBDQTJ-HZPDHXFCSA-N 1 2 343.446 3.190 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@H+](Cc2nc(C)c(C)s2)CC1 ZINC001196880922 1368705192 /nfs/dbraw/zinc/70/51/92/1368705192.db2.gz NAPMRNJEQDWVQC-CQSZACIVSA-N 1 2 335.517 3.397 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+](Cc2nc(C)c(C)s2)CC1 ZINC001196880922 1368705194 /nfs/dbraw/zinc/70/51/94/1368705194.db2.gz NAPMRNJEQDWVQC-CQSZACIVSA-N 1 2 335.517 3.397 20 30 EGEDLO C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(F)C(F)(F)F)C2 ZINC001112361741 1368791768 /nfs/dbraw/zinc/79/17/68/1368791768.db2.gz DDQSGWZIMHLRCK-GUTXKFCHSA-N 1 2 336.373 3.071 20 30 EGEDLO C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C2 ZINC001112361741 1368791769 /nfs/dbraw/zinc/79/17/69/1368791769.db2.gz DDQSGWZIMHLRCK-GUTXKFCHSA-N 1 2 336.373 3.071 20 30 EGEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001198103244 1368959485 /nfs/dbraw/zinc/95/94/85/1368959485.db2.gz AHUPPEHEHJRVEM-LXJJZASNSA-N 1 2 330.900 3.041 20 30 EGEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001198103244 1368959489 /nfs/dbraw/zinc/95/94/89/1368959489.db2.gz AHUPPEHEHJRVEM-LXJJZASNSA-N 1 2 330.900 3.041 20 30 EGEDLO C=CCCC(=O)N1CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC001112688483 1368981960 /nfs/dbraw/zinc/98/19/60/1368981960.db2.gz PMXYZQXLDSPTEH-UHFFFAOYSA-N 1 2 338.451 3.329 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001112788525 1369004471 /nfs/dbraw/zinc/00/44/71/1369004471.db2.gz HRZQXCNVWUGNDW-SFHVURJKSA-N 1 2 342.487 3.023 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001112799829 1369012031 /nfs/dbraw/zinc/01/20/31/1369012031.db2.gz ACPHPVWJRHXIDW-KRWDZBQOSA-N 1 2 344.503 3.431 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[C@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001112807169 1369018710 /nfs/dbraw/zinc/01/87/10/1369018710.db2.gz BHXBHUUQEMKQJP-MSOLQXFVSA-N 1 2 344.503 3.431 20 30 EGEDLO C=CCC1(C(=O)NC2CC(CNc3cc[nH+]c(C)n3)C2)CCCC1 ZINC001112844449 1369042562 /nfs/dbraw/zinc/04/25/62/1369042562.db2.gz PJBNONUHVWYFJW-UHFFFAOYSA-N 1 2 328.460 3.228 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)c1ccco1)c1ccccc1OC ZINC001198491911 1369044658 /nfs/dbraw/zinc/04/46/58/1369044658.db2.gz LJVNPFMQUDNVCY-CQSZACIVSA-N 1 2 334.803 3.101 20 30 EGEDLO C#CCCCCC(=O)N[C@H](C)[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001112973057 1369117456 /nfs/dbraw/zinc/11/74/56/1369117456.db2.gz DXHNUYSHPDXWDH-HUUCEWRRSA-N 1 2 328.460 3.161 20 30 EGEDLO C#CCCCCC(=O)N[C@@H](C)[C@@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001112973531 1369118466 /nfs/dbraw/zinc/11/84/66/1369118466.db2.gz LPSHSCOSIYGDKC-CVEARBPZSA-N 1 2 330.476 3.407 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001113229749 1369277543 /nfs/dbraw/zinc/27/75/43/1369277543.db2.gz QDHQLDYYLYWFKJ-IRXDYDNUSA-N 1 2 330.472 3.106 20 30 EGEDLO CCCCCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H](C)Cc3c[nH]nc32)CC1 ZINC001113257083 1369296477 /nfs/dbraw/zinc/29/64/77/1369296477.db2.gz OZORZWDCJHEDMA-SJLPKXTDSA-N 1 2 346.519 3.190 20 30 EGEDLO CC#CCCCC(=O)N[C@H](C)[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001113262767 1369298908 /nfs/dbraw/zinc/29/89/08/1369298908.db2.gz XYJGBZCFJZJJSZ-HUUCEWRRSA-N 1 2 342.487 3.163 20 30 EGEDLO CCCC(C)(C)C(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001113285119 1369318547 /nfs/dbraw/zinc/31/85/47/1369318547.db2.gz VTYZYJKFTORRDT-UHFFFAOYSA-N 1 2 343.471 3.059 20 30 EGEDLO C=CCCCCC[NH+]1CCN(C(=O)c2cccc3[nH]cnc32)CC1 ZINC001113448887 1369437789 /nfs/dbraw/zinc/43/77/89/1369437789.db2.gz LTZRAXZOKYVRQK-UHFFFAOYSA-N 1 2 326.444 3.067 20 30 EGEDLO C=C[C@@H](CC(=O)N1CC[NH+](Cc2ncccc2C)CC1)c1ccccc1 ZINC001113666910 1369554281 /nfs/dbraw/zinc/55/42/81/1369554281.db2.gz HKQZQWGHXZNGKJ-IBGZPJMESA-N 1 2 349.478 3.394 20 30 EGEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc([C@H](C)CC)cc2)CC1 ZINC001113691151 1369567999 /nfs/dbraw/zinc/56/79/99/1369567999.db2.gz KFKCXEXXIDDDLY-QGZVFWFLSA-N 1 2 330.472 3.161 20 30 EGEDLO C=CCO[C@H](C)C(=O)N1CC[NH+]([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC001113713391 1369581610 /nfs/dbraw/zinc/58/16/10/1369581610.db2.gz PMAIQKMQBBVNCQ-KDOFPFPSSA-N 1 2 348.874 3.063 20 30 EGEDLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1cc(C#N)ccc1OC ZINC001201585977 1369582806 /nfs/dbraw/zinc/58/28/06/1369582806.db2.gz ZVYOARIWYCWULL-UHFFFAOYSA-N 1 2 349.394 3.462 20 30 EGEDLO C=CCCC(=O)N[C@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)CC[C@H]1C ZINC001114002032 1369680963 /nfs/dbraw/zinc/68/09/63/1369680963.db2.gz UIKOCSGHTOXWJD-ZBFHGGJFSA-N 1 2 330.476 3.206 20 30 EGEDLO C#CCC1(C(=O)N(C)CC[C@@H](Nc2cc[nH+]c(C)n2)C(C)C)CCC1 ZINC001114105037 1369737096 /nfs/dbraw/zinc/73/70/96/1369737096.db2.gz UHHZVJCMGJRKNZ-QGZVFWFLSA-N 1 2 342.487 3.264 20 30 EGEDLO Cc1cc(NCC2(NC(=O)[C@@H](C)C#N)CCCCC2)nc(C(C)C)[nH+]1 ZINC001114150666 1369764736 /nfs/dbraw/zinc/76/47/36/1369764736.db2.gz QLSRUQWGPHNISZ-AWEZNQCLSA-N 1 2 343.475 3.299 20 30 EGEDLO C=CCNC(=O)N1CC[NH+]=C1CN(Cc1ccccc1)c1ccccc1 ZINC001202577788 1369811999 /nfs/dbraw/zinc/81/19/99/1369811999.db2.gz LIEBJOFIMPKMDQ-UHFFFAOYSA-N 1 2 348.450 3.303 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC001114727886 1370050025 /nfs/dbraw/zinc/05/00/25/1370050025.db2.gz ZMMGSMLTYGKGTL-RGPZOAQRSA-N 1 2 347.528 3.244 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC001114727886 1370050029 /nfs/dbraw/zinc/05/00/29/1370050029.db2.gz ZMMGSMLTYGKGTL-RGPZOAQRSA-N 1 2 347.528 3.244 20 30 EGEDLO C=CCCC(=O)N[C@H](C)CCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001114882079 1370127873 /nfs/dbraw/zinc/12/78/73/1370127873.db2.gz ZOSQUVGXOWEWQG-CQSZACIVSA-N 1 2 330.476 3.327 20 30 EGEDLO C#CCCCC(=O)N[C@@H](C)CCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001114917623 1370148827 /nfs/dbraw/zinc/14/88/27/1370148827.db2.gz ITLSEXHYJLRGEW-AWEZNQCLSA-N 1 2 328.460 3.163 20 30 EGEDLO N#Cc1cccc(C[NH+]2CCN(c3ccc4c(c3)CCC4=O)CC2)c1 ZINC001203765239 1370256776 /nfs/dbraw/zinc/25/67/76/1370256776.db2.gz XIKVDSFIDGDHHG-UHFFFAOYSA-N 1 2 331.419 3.009 20 30 EGEDLO C=CCCC(=O)N1CCC(N(C)c2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001115133647 1370300246 /nfs/dbraw/zinc/30/02/46/1370300246.db2.gz WFQVWLYDXWBSJK-UHFFFAOYSA-N 1 2 342.487 3.057 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nc(C(C)(C)C)cs3)C[C@H]21 ZINC001187199412 1388069804 /nfs/dbraw/zinc/06/98/04/1388069804.db2.gz LXPYRPZEFHPSCE-LSDHHAIUSA-N 1 2 347.528 3.440 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](Cc3nc(C(C)(C)C)cs3)C[C@H]21 ZINC001187199412 1388069809 /nfs/dbraw/zinc/06/98/09/1388069809.db2.gz LXPYRPZEFHPSCE-LSDHHAIUSA-N 1 2 347.528 3.440 20 30 EGEDLO OC[C@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2F)C[C@@H]1C(F)(F)F ZINC001204472681 1370485879 /nfs/dbraw/zinc/48/58/79/1370485879.db2.gz NGUFWMPFSOCDIE-KOLCDFICSA-N 1 2 345.258 3.447 20 30 EGEDLO OC[C@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C[C@@H]1C(F)(F)F ZINC001204472681 1370485884 /nfs/dbraw/zinc/48/58/84/1370485884.db2.gz NGUFWMPFSOCDIE-KOLCDFICSA-N 1 2 345.258 3.447 20 30 EGEDLO C#CCCCCCC(=O)N(C)[C@@H](CNc1cc[nH+]c(C)n1)C1CC1 ZINC001115562421 1370562178 /nfs/dbraw/zinc/56/21/78/1370562178.db2.gz WOZUHMHNPRETSP-KRWDZBQOSA-N 1 2 328.460 3.018 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(C)c(F)c1 ZINC001205227623 1370688030 /nfs/dbraw/zinc/68/80/30/1370688030.db2.gz JNKDHDFFYDIUSO-SFHVURJKSA-N 1 2 329.419 3.170 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(C)c(F)c1 ZINC001205227623 1370688033 /nfs/dbraw/zinc/68/80/33/1370688033.db2.gz JNKDHDFFYDIUSO-SFHVURJKSA-N 1 2 329.419 3.170 20 30 EGEDLO CCCCCCCCCC(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC001187367984 1388100326 /nfs/dbraw/zinc/10/03/26/1388100326.db2.gz ZATSMPSQYMDFDM-MRXNPFEDSA-N 1 2 336.480 3.209 20 30 EGEDLO C#CC[N@@H+](CC(=O)c1cc(C)n(-c2nccs2)c1C)CC1CC1 ZINC001116366787 1370896076 /nfs/dbraw/zinc/89/60/76/1370896076.db2.gz WNFYXDBVRUCFPZ-UHFFFAOYSA-N 1 2 327.453 3.079 20 30 EGEDLO C#CC[N@H+](CC(=O)c1cc(C)n(-c2nccs2)c1C)CC1CC1 ZINC001116366787 1370896080 /nfs/dbraw/zinc/89/60/80/1370896080.db2.gz WNFYXDBVRUCFPZ-UHFFFAOYSA-N 1 2 327.453 3.079 20 30 EGEDLO Cc1cc(C)c(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)c(C)[nH+]1 ZINC001205898942 1370903923 /nfs/dbraw/zinc/90/39/23/1370903923.db2.gz GSRKYZOUXBFZMO-UHFFFAOYSA-N 1 2 349.438 3.491 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ncc(-c3cccs3)o2)C[C@H]1C ZINC001206545086 1371088788 /nfs/dbraw/zinc/08/87/88/1371088788.db2.gz QFXSLJBLDMWYBX-ZIAGYGMSSA-N 1 2 345.468 3.306 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ncc(-c3cccs3)o2)C[C@H]1C ZINC001206545086 1371088793 /nfs/dbraw/zinc/08/87/93/1371088793.db2.gz QFXSLJBLDMWYBX-ZIAGYGMSSA-N 1 2 345.468 3.306 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2csc(CCC)n2)C[C@H]1C ZINC001207205587 1371328308 /nfs/dbraw/zinc/32/83/08/1371328308.db2.gz KJAGPTWZYBLHAK-GDBMZVCRSA-N 1 2 335.517 3.388 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2csc(CCC)n2)C[C@H]1C ZINC001207205587 1371328314 /nfs/dbraw/zinc/32/83/14/1371328314.db2.gz KJAGPTWZYBLHAK-GDBMZVCRSA-N 1 2 335.517 3.388 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208292441 1371703265 /nfs/dbraw/zinc/70/32/65/1371703265.db2.gz VYUYVJLCABJMME-RDTXWAMCSA-N 1 2 343.446 3.236 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208292441 1371703267 /nfs/dbraw/zinc/70/32/67/1371703267.db2.gz VYUYVJLCABJMME-RDTXWAMCSA-N 1 2 343.446 3.236 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccncc2Cl)C[C@H]1C ZINC001208292109 1371703763 /nfs/dbraw/zinc/70/37/63/1371703763.db2.gz JSSBROSGUNXXHB-CZUORRHYSA-N 1 2 335.879 3.274 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccncc2Cl)C[C@H]1C ZINC001208292109 1371703768 /nfs/dbraw/zinc/70/37/68/1371703768.db2.gz JSSBROSGUNXXHB-CZUORRHYSA-N 1 2 335.879 3.274 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001208312925 1371711490 /nfs/dbraw/zinc/71/14/90/1371711490.db2.gz TUKXIRBGESTSJP-NVXWUHKLSA-N 1 2 347.890 3.255 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001208312925 1371711495 /nfs/dbraw/zinc/71/14/95/1371711495.db2.gz TUKXIRBGESTSJP-NVXWUHKLSA-N 1 2 347.890 3.255 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccncc2Cl)C[C@H]1C ZINC001208509009 1371792753 /nfs/dbraw/zinc/79/27/53/1371792753.db2.gz ORVJAVYMCREFSB-MZMPZRCHSA-N 1 2 335.879 3.274 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccncc2Cl)C[C@H]1C ZINC001208509009 1371792761 /nfs/dbraw/zinc/79/27/61/1371792761.db2.gz ORVJAVYMCREFSB-MZMPZRCHSA-N 1 2 335.879 3.274 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)CCCC)[C@@H]2C1 ZINC001187750426 1388155099 /nfs/dbraw/zinc/15/50/99/1388155099.db2.gz YNQQVKKMUPVZFV-VHDGCEQUSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)CCCC)[C@@H]2C1 ZINC001187750426 1388155105 /nfs/dbraw/zinc/15/51/05/1388155105.db2.gz YNQQVKKMUPVZFV-VHDGCEQUSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001208509246 1371793847 /nfs/dbraw/zinc/79/38/47/1371793847.db2.gz XMFKMVHQDKQJKG-SIIHOXLZSA-N 1 2 335.879 3.274 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001208509246 1371793849 /nfs/dbraw/zinc/79/38/49/1371793849.db2.gz XMFKMVHQDKQJKG-SIIHOXLZSA-N 1 2 335.879 3.274 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001208954180 1371961045 /nfs/dbraw/zinc/96/10/45/1371961045.db2.gz GUHXORIZHDUDQZ-CZUORRHYSA-N 1 2 331.460 3.091 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001208954180 1371961047 /nfs/dbraw/zinc/96/10/47/1371961047.db2.gz GUHXORIZHDUDQZ-CZUORRHYSA-N 1 2 331.460 3.091 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC001209146078 1372013871 /nfs/dbraw/zinc/01/38/71/1372013871.db2.gz KJLMCGKUPRHMHT-CABCVRRESA-N 1 2 348.491 3.050 20 30 EGEDLO C=CCCC1(C(=O)N2CCC[C@@H]([NH2+][C@H](C)c3nc(CC)no3)C2)CC1 ZINC001209453942 1372110469 /nfs/dbraw/zinc/11/04/69/1372110469.db2.gz HGFLHXNTLARXHB-HUUCEWRRSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001122622848 1372285850 /nfs/dbraw/zinc/28/58/50/1372285850.db2.gz KCSKXVBYMDOJQT-JKSUJKDBSA-N 1 2 347.507 3.015 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001122622848 1372285851 /nfs/dbraw/zinc/28/58/51/1372285851.db2.gz KCSKXVBYMDOJQT-JKSUJKDBSA-N 1 2 347.507 3.015 20 30 EGEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)CC(C)(C)C ZINC001122628625 1372286845 /nfs/dbraw/zinc/28/68/45/1372286845.db2.gz AIQGAXKJUIEZCO-MRXNPFEDSA-N 1 2 349.523 3.118 20 30 EGEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)CC(C)(C)C ZINC001122628625 1372286849 /nfs/dbraw/zinc/28/68/49/1372286849.db2.gz AIQGAXKJUIEZCO-MRXNPFEDSA-N 1 2 349.523 3.118 20 30 EGEDLO N#C[C@@H]1C[NH2+]CCN1Cc1c(Cl)cc(Cl)cc1Br ZINC001210195824 1372292041 /nfs/dbraw/zinc/29/20/41/1372292041.db2.gz KFPAXOKMLSZHLE-SECBINFHSA-N 1 2 349.059 3.053 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](CC)C(C)C)C1 ZINC001210416995 1372347282 /nfs/dbraw/zinc/34/72/82/1372347282.db2.gz XEDOIFAMUWYROT-VHDGCEQUSA-N 1 2 345.325 3.404 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](CC)C(C)C)C1 ZINC001210416995 1372347287 /nfs/dbraw/zinc/34/72/87/1372347287.db2.gz XEDOIFAMUWYROT-VHDGCEQUSA-N 1 2 345.325 3.404 20 30 EGEDLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC1=CC(=O)C[C@H](C)C1 ZINC001210770456 1372423510 /nfs/dbraw/zinc/42/35/10/1372423510.db2.gz MMBPCSFEESCLIT-GFCCVEGCSA-N 1 2 326.400 3.133 20 30 EGEDLO CC#Cc1cncc(Nc2ccc(OC)nc2-n2cc[nH+]c2CC)c1 ZINC001211057889 1372479747 /nfs/dbraw/zinc/47/97/47/1372479747.db2.gz DHVNXFNUGRSGND-UHFFFAOYSA-N 1 2 333.395 3.348 20 30 EGEDLO N#Cc1ccc(Oc2ccc(CN3CC[NH2+]CC(F)(F)C3)cc2)cc1 ZINC001211342706 1372536440 /nfs/dbraw/zinc/53/64/40/1372536440.db2.gz YBPBQXNWVHNZOT-UHFFFAOYSA-N 1 2 343.377 3.391 20 30 EGEDLO C=C[C@H](C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1)c1ccccc1 ZINC001123656620 1372543882 /nfs/dbraw/zinc/54/38/82/1372543882.db2.gz HXMBXBOODJBSCD-FQEVSTJZSA-N 1 2 336.435 3.006 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001123671134 1372552249 /nfs/dbraw/zinc/55/22/49/1372552249.db2.gz UZLXBWFFXOZBCC-WBVHZDCISA-N 1 2 344.503 3.478 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@@H](CNc3cc[nH+]c(C)n3)C2)CC1 ZINC001123867272 1372612065 /nfs/dbraw/zinc/61/20/65/1372612065.db2.gz OUYYTAXJXUVBCI-HZPDHXFCSA-N 1 2 328.460 3.228 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001123867455 1372612319 /nfs/dbraw/zinc/61/23/19/1372612319.db2.gz RIQUJTUYVGQKCD-IAGOWNOFSA-N 1 2 328.460 3.066 20 30 EGEDLO N#Cc1cnn(C2CCOCC2)c1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213087282 1372837538 /nfs/dbraw/zinc/83/75/38/1372837538.db2.gz OAHWSKYIPKNEHO-UHFFFAOYSA-N 1 2 334.383 3.240 20 30 EGEDLO N#Cc1ccc(Nc2ccc(N3CCC(O)CC3)[nH+]c2)c(Cl)c1 ZINC001213989752 1372991220 /nfs/dbraw/zinc/99/12/20/1372991220.db2.gz KXGNLSPFRKHAMC-UHFFFAOYSA-N 1 2 328.803 3.311 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H](C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001126748426 1373012406 /nfs/dbraw/zinc/01/24/06/1373012406.db2.gz YOYFDMCFZXYIGC-HNNXBMFYSA-N 1 2 342.487 3.275 20 30 EGEDLO C=CCCCC(=O)NCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001127740683 1373171939 /nfs/dbraw/zinc/17/19/39/1373171939.db2.gz KGCPKEYVZKTDCR-UHFFFAOYSA-N 1 2 328.460 3.011 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H](CC)CCCC)c2C1 ZINC001128228833 1373238130 /nfs/dbraw/zinc/23/81/30/1373238130.db2.gz XGNJWPXHTMFBML-INIZCTEOSA-N 1 2 332.492 3.107 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H](CC)CCCC)c2C1 ZINC001128228833 1373238131 /nfs/dbraw/zinc/23/81/31/1373238131.db2.gz XGNJWPXHTMFBML-INIZCTEOSA-N 1 2 332.492 3.107 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCc1cnn2c1C[N@H+](CCCCCC)CC2 ZINC001128448680 1373269011 /nfs/dbraw/zinc/26/90/11/1373269011.db2.gz UUFMSMVHSVHAGR-SJORKVTESA-N 1 2 346.519 3.353 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCc1cnn2c1C[N@@H+](CCCCCC)CC2 ZINC001128448680 1373269013 /nfs/dbraw/zinc/26/90/13/1373269013.db2.gz UUFMSMVHSVHAGR-SJORKVTESA-N 1 2 346.519 3.353 20 30 EGEDLO C=CCCC(=O)N1CCC(n2ncc3c2C[N@H+](CC2CCC2)C3)CC1 ZINC001130163786 1373466234 /nfs/dbraw/zinc/46/62/34/1373466234.db2.gz RIPZCVXUWIIDKD-UHFFFAOYSA-N 1 2 342.487 3.129 20 30 EGEDLO C=CCCC(=O)N1CCC(n2ncc3c2C[N@@H+](CC2CCC2)C3)CC1 ZINC001130163786 1373466238 /nfs/dbraw/zinc/46/62/38/1373466238.db2.gz RIPZCVXUWIIDKD-UHFFFAOYSA-N 1 2 342.487 3.129 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)CC(C)=C(C)C)C[C@H](C)O2 ZINC001131673255 1373756498 /nfs/dbraw/zinc/75/64/98/1373756498.db2.gz ITMYHBNIKVVGKI-WMZOPIPTSA-N 1 2 340.895 3.177 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CC(C)=C(C)C)C[C@H](C)O2 ZINC001131673255 1373756502 /nfs/dbraw/zinc/75/65/02/1373756502.db2.gz ITMYHBNIKVVGKI-WMZOPIPTSA-N 1 2 340.895 3.177 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)CCC(C)(C)C)C[C@@H](C)O2 ZINC001131688831 1373764085 /nfs/dbraw/zinc/76/40/85/1373764085.db2.gz SAKWEOMZHYGFIJ-QAPCUYQASA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CCC(C)(C)C)C[C@@H](C)O2 ZINC001131688831 1373764086 /nfs/dbraw/zinc/76/40/86/1373764086.db2.gz SAKWEOMZHYGFIJ-QAPCUYQASA-N 1 2 342.911 3.257 20 30 EGEDLO CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131855998 1373841832 /nfs/dbraw/zinc/84/18/32/1373841832.db2.gz GLLRXLSXWUKALL-RDTXWAMCSA-N 1 2 331.435 3.357 20 30 EGEDLO CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131855998 1373841835 /nfs/dbraw/zinc/84/18/35/1373841835.db2.gz GLLRXLSXWUKALL-RDTXWAMCSA-N 1 2 331.435 3.357 20 30 EGEDLO CN(CCC#N)c1ccc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC001326787481 1388310853 /nfs/dbraw/zinc/31/08/53/1388310853.db2.gz QGKNDOHTXOLNBL-UHFFFAOYSA-N 1 2 346.434 3.171 20 30 EGEDLO CC#CCCCC(=O)NCC1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC001224156827 1375057056 /nfs/dbraw/zinc/05/70/56/1375057056.db2.gz AESBARAHPXFLOS-RVDMUPIBSA-N 1 2 331.287 3.327 20 30 EGEDLO C/C=C(/C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131950355 1375064743 /nfs/dbraw/zinc/06/47/43/1375064743.db2.gz KZZJFQNIOPUGRG-YUVCGPOESA-N 1 2 329.419 3.133 20 30 EGEDLO C/C=C(/C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131950355 1375064745 /nfs/dbraw/zinc/06/47/45/1375064745.db2.gz KZZJFQNIOPUGRG-YUVCGPOESA-N 1 2 329.419 3.133 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1ccc(F)cc1Cl ZINC001132045306 1375114544 /nfs/dbraw/zinc/11/45/44/1375114544.db2.gz DLVZCQBRCRRKSX-SUMWQHHRSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1ccc(F)cc1Cl ZINC001132045306 1375114545 /nfs/dbraw/zinc/11/45/45/1375114545.db2.gz DLVZCQBRCRRKSX-SUMWQHHRSA-N 1 2 348.849 3.362 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ncc(CC)o2)C1 ZINC001132057513 1375123979 /nfs/dbraw/zinc/12/39/79/1375123979.db2.gz QFDHYRRLRFOUDQ-DOTOQJQBSA-N 1 2 345.487 3.475 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ncc(CC)o2)C1 ZINC001132057513 1375123985 /nfs/dbraw/zinc/12/39/85/1375123985.db2.gz QFDHYRRLRFOUDQ-DOTOQJQBSA-N 1 2 345.487 3.475 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001132067948 1375130450 /nfs/dbraw/zinc/13/04/50/1375130450.db2.gz BSNIWTQPGLOBMT-CZUORRHYSA-N 1 2 333.476 3.363 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001132067948 1375130455 /nfs/dbraw/zinc/13/04/55/1375130455.db2.gz BSNIWTQPGLOBMT-CZUORRHYSA-N 1 2 333.476 3.363 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)CC2(C)CC2)CC[C@@H]1C ZINC001132191601 1375198157 /nfs/dbraw/zinc/19/81/57/1375198157.db2.gz VGPLURXVMXRQAP-STQMWFEESA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)CC2(C)CC2)CC[C@@H]1C ZINC001132191601 1375198156 /nfs/dbraw/zinc/19/81/56/1375198156.db2.gz VGPLURXVMXRQAP-STQMWFEESA-N 1 2 329.282 3.054 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2nccs2)C1 ZINC001132227524 1375223061 /nfs/dbraw/zinc/22/30/61/1375223061.db2.gz FHCKMABSXFVJKP-HOTGVXAUSA-N 1 2 333.501 3.196 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2nccs2)C1 ZINC001132227524 1375223063 /nfs/dbraw/zinc/22/30/63/1375223063.db2.gz FHCKMABSXFVJKP-HOTGVXAUSA-N 1 2 333.501 3.196 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccncc2Cl)C1 ZINC001132235413 1375230733 /nfs/dbraw/zinc/23/07/33/1375230733.db2.gz NCFBFQDYAMITJC-NVXWUHKLSA-N 1 2 347.890 3.398 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccncc2Cl)C1 ZINC001132235413 1375230739 /nfs/dbraw/zinc/23/07/39/1375230739.db2.gz NCFBFQDYAMITJC-NVXWUHKLSA-N 1 2 347.890 3.398 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3ccn(CC)n3)C2)CCC1 ZINC001132282547 1375264067 /nfs/dbraw/zinc/26/40/67/1375264067.db2.gz KTOYDRUBJDFGQG-DLBZAZTESA-N 1 2 344.503 3.119 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3ccn(CC)n3)C2)CCC1 ZINC001132282547 1375264070 /nfs/dbraw/zinc/26/40/70/1375264070.db2.gz KTOYDRUBJDFGQG-DLBZAZTESA-N 1 2 344.503 3.119 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3ccc(F)cn3)C2)CCC1 ZINC001132283019 1375264768 /nfs/dbraw/zinc/26/47/68/1375264768.db2.gz PZQHRBAZBJQRCO-YJBOKZPZSA-N 1 2 345.462 3.436 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3ccc(F)cn3)C2)CCC1 ZINC001132283019 1375264777 /nfs/dbraw/zinc/26/47/77/1375264777.db2.gz PZQHRBAZBJQRCO-YJBOKZPZSA-N 1 2 345.462 3.436 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3cncc(F)c3)C2)CCC1 ZINC001132282928 1375264921 /nfs/dbraw/zinc/26/49/21/1375264921.db2.gz OUVAYYNHVDJQEG-CRAIPNDOSA-N 1 2 345.462 3.436 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3cncc(F)c3)C2)CCC1 ZINC001132282928 1375264927 /nfs/dbraw/zinc/26/49/27/1375264927.db2.gz OUVAYYNHVDJQEG-CRAIPNDOSA-N 1 2 345.462 3.436 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(C2CCC2)n1 ZINC001226522466 1375274761 /nfs/dbraw/zinc/27/47/61/1375274761.db2.gz AHEPDHNOWKQLPB-HZPDHXFCSA-N 1 2 346.475 3.210 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCc2cccnc2)CC[C@H]1C ZINC001132384699 1375343385 /nfs/dbraw/zinc/34/33/85/1375343385.db2.gz QXGTXMVCWLVXKT-WBVHZDCISA-N 1 2 335.879 3.126 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCc2cccnc2)CC[C@H]1C ZINC001132384699 1375343391 /nfs/dbraw/zinc/34/33/91/1375343391.db2.gz QXGTXMVCWLVXKT-WBVHZDCISA-N 1 2 335.879 3.126 20 30 EGEDLO C=CC(C)(C)CC(=O)NC1CC[NH+](Cc2ncc(C(C)C)o2)CC1 ZINC001227569885 1375445456 /nfs/dbraw/zinc/44/54/56/1375445456.db2.gz AWKVNONQQYXXTH-UHFFFAOYSA-N 1 2 333.476 3.481 20 30 EGEDLO C=C(C)CCC(=O)NC1CC[NH+]([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC001227606876 1375452354 /nfs/dbraw/zinc/45/23/54/1375452354.db2.gz CEGJQYJEMGZPCM-AWEZNQCLSA-N 1 2 334.464 3.191 20 30 EGEDLO C=CC(C)(C)C(=O)NC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC001228622189 1375619886 /nfs/dbraw/zinc/61/98/86/1375619886.db2.gz OYBPYJCSMWFKDN-UHFFFAOYSA-N 1 2 327.881 3.089 20 30 EGEDLO C=CC(C)(C)C(=O)NC1CC[NH+](Cc2cc(C(C)(C)C)on2)CC1 ZINC001228622464 1375621017 /nfs/dbraw/zinc/62/10/17/1375621017.db2.gz UYRNAMCMODIUIN-UHFFFAOYSA-N 1 2 333.476 3.265 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC001228748896 1375662659 /nfs/dbraw/zinc/66/26/59/1375662659.db2.gz OFXLFJDQOZRBAC-UONOGXRCSA-N 1 2 335.517 3.244 20 30 EGEDLO C=CCCC1(C(=O)NC2CC[NH+]([C@@H](C)c3nnc(C)s3)CC2)CC1 ZINC001229036854 1375748227 /nfs/dbraw/zinc/74/82/27/1375748227.db2.gz ANVWOTBBFFYDAK-ZDUSSCGKSA-N 1 2 348.516 3.235 20 30 EGEDLO C=CCC(C)(C)C(=O)NC1CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC001229376959 1375821907 /nfs/dbraw/zinc/82/19/07/1375821907.db2.gz NNSZORCIMRGQNG-UHFFFAOYSA-N 1 2 345.487 3.236 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3csc(CC)n3)C[C@H]21 ZINC001188908974 1388407821 /nfs/dbraw/zinc/40/78/21/1388407821.db2.gz LYAQUBVKGFQIMG-HLLBOEOZSA-N 1 2 347.528 3.341 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3csc(CC)n3)C[C@H]21 ZINC001188908974 1388407824 /nfs/dbraw/zinc/40/78/24/1388407824.db2.gz LYAQUBVKGFQIMG-HLLBOEOZSA-N 1 2 347.528 3.341 20 30 EGEDLO Cc1c[nH+]cc(C)c1NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC001133455380 1376018244 /nfs/dbraw/zinc/01/82/44/1376018244.db2.gz IUHVLVICZMYXDQ-UHFFFAOYSA-N 1 2 347.374 3.416 20 30 EGEDLO CC(C)CC(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC001230653927 1376117818 /nfs/dbraw/zinc/11/78/18/1376117818.db2.gz JFAABEVBPXJENX-GOSISDBHSA-N 1 2 332.875 3.270 20 30 EGEDLO CC(C)CC(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001230653927 1376117820 /nfs/dbraw/zinc/11/78/20/1376117820.db2.gz JFAABEVBPXJENX-GOSISDBHSA-N 1 2 332.875 3.270 20 30 EGEDLO CCC(CC)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001230829799 1376161772 /nfs/dbraw/zinc/16/17/72/1376161772.db2.gz SLIZQXREYVYNQC-IBGZPJMESA-N 1 2 330.447 3.146 20 30 EGEDLO CCC(CC)C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001230829799 1376161776 /nfs/dbraw/zinc/16/17/76/1376161776.db2.gz SLIZQXREYVYNQC-IBGZPJMESA-N 1 2 330.447 3.146 20 30 EGEDLO C=C(Cl)C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1C(C)C)Cc1cccnc1 ZINC001230881686 1376176111 /nfs/dbraw/zinc/17/61/11/1376176111.db2.gz JNIAEBRIXWOVEI-ZWKOTPCHSA-N 1 2 349.906 3.435 20 30 EGEDLO C=C(Cl)C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1C(C)C)Cc1cccnc1 ZINC001230881686 1376176113 /nfs/dbraw/zinc/17/61/13/1376176113.db2.gz JNIAEBRIXWOVEI-ZWKOTPCHSA-N 1 2 349.906 3.435 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCc3cc4c(cc3C2)OCO4)cc1Cl ZINC001232112225 1376401217 /nfs/dbraw/zinc/40/12/17/1376401217.db2.gz RXEPEUZBHXZETR-UHFFFAOYSA-N 1 2 326.783 3.499 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCc3cc4c(cc3C2)OCO4)cc1Cl ZINC001232112225 1376401224 /nfs/dbraw/zinc/40/12/24/1376401224.db2.gz RXEPEUZBHXZETR-UHFFFAOYSA-N 1 2 326.783 3.499 20 30 EGEDLO COC[C@@H](C)[N@H+](Cc1cccc(OC)c1)Cc1cc(C#N)ccc1O ZINC001232678472 1376500449 /nfs/dbraw/zinc/50/04/49/1376500449.db2.gz HBJGJUPRKBCUSA-OAHLLOKOSA-N 1 2 340.423 3.310 20 30 EGEDLO COC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)Cc1cc(C#N)ccc1O ZINC001232678472 1376500453 /nfs/dbraw/zinc/50/04/53/1376500453.db2.gz HBJGJUPRKBCUSA-OAHLLOKOSA-N 1 2 340.423 3.310 20 30 EGEDLO COc1cccc([C@H]2CSCC[N@@H+]2Cc2cccc(C#N)n2)c1 ZINC001232927001 1376538494 /nfs/dbraw/zinc/53/84/94/1376538494.db2.gz LMLAYWNMXAAGIZ-GOSISDBHSA-N 1 2 325.437 3.252 20 30 EGEDLO COc1cccc([C@H]2CSCC[N@H+]2Cc2cccc(C#N)n2)c1 ZINC001232927001 1376538495 /nfs/dbraw/zinc/53/84/95/1376538495.db2.gz LMLAYWNMXAAGIZ-GOSISDBHSA-N 1 2 325.437 3.252 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)cc1O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001233384123 1376634530 /nfs/dbraw/zinc/63/45/30/1376634530.db2.gz HRSXIPWCWJNRNP-UHFFFAOYSA-N 1 2 345.443 3.095 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)cc1O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001233384123 1376634534 /nfs/dbraw/zinc/63/45/34/1376634534.db2.gz HRSXIPWCWJNRNP-UHFFFAOYSA-N 1 2 345.443 3.095 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1)C(=O)C=C1CCC1 ZINC001233634789 1376689298 /nfs/dbraw/zinc/68/92/98/1376689298.db2.gz OFSWZNBPMOPTGA-IBGZPJMESA-N 1 2 342.870 3.335 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1)C(=O)C=C1CCC1 ZINC001233634789 1376689306 /nfs/dbraw/zinc/68/93/06/1376689306.db2.gz OFSWZNBPMOPTGA-IBGZPJMESA-N 1 2 342.870 3.335 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)CC(C)(C)C1CC1 ZINC001234098585 1376765213 /nfs/dbraw/zinc/76/52/13/1376765213.db2.gz DHLVIZGOAYFZML-FQEVSTJZSA-N 1 2 338.495 3.397 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)CC(C)(C)C1CC1 ZINC001234098585 1376765220 /nfs/dbraw/zinc/76/52/20/1376765220.db2.gz DHLVIZGOAYFZML-FQEVSTJZSA-N 1 2 338.495 3.397 20 30 EGEDLO CC(C)(C)OC(=O)C[C@H]1CC[N@H+](Cc2c(F)cc(C#N)cc2F)C1 ZINC001235665071 1376883774 /nfs/dbraw/zinc/88/37/74/1376883774.db2.gz SOSZKOOXALMYMX-GFCCVEGCSA-N 1 2 336.382 3.390 20 30 EGEDLO CC(C)(C)OC(=O)C[C@H]1CC[N@@H+](Cc2c(F)cc(C#N)cc2F)C1 ZINC001235665071 1376883778 /nfs/dbraw/zinc/88/37/78/1376883778.db2.gz SOSZKOOXALMYMX-GFCCVEGCSA-N 1 2 336.382 3.390 20 30 EGEDLO N#Cc1cccc(COc2ccc(NC(=O)Cc3c[nH]c[nH+]3)cc2)c1 ZINC001136595422 1377407628 /nfs/dbraw/zinc/40/76/28/1377407628.db2.gz CREOYIXGRIWJBK-UHFFFAOYSA-N 1 2 332.363 3.042 20 30 EGEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1cc(F)c(F)cc1F)CC2 ZINC001137888383 1377637842 /nfs/dbraw/zinc/63/78/42/1377637842.db2.gz UBILYBUSSOIFRZ-UHFFFAOYSA-N 1 2 338.373 3.247 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1F)C2 ZINC001137938542 1377649044 /nfs/dbraw/zinc/64/90/44/1377649044.db2.gz MBJBCQSMBSQFRE-RDTXWAMCSA-N 1 2 341.373 3.430 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1F)C2 ZINC001137938542 1377649045 /nfs/dbraw/zinc/64/90/45/1377649045.db2.gz MBJBCQSMBSQFRE-RDTXWAMCSA-N 1 2 341.373 3.430 20 30 EGEDLO C#CCOc1ccc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)cc1OC ZINC001138341299 1377706485 /nfs/dbraw/zinc/70/64/85/1377706485.db2.gz MNUDSEOWULSZKX-IRXDYDNUSA-N 1 2 327.424 3.041 20 30 EGEDLO C#CCOc1ccc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)cc1OC ZINC001138341299 1377706487 /nfs/dbraw/zinc/70/64/87/1377706487.db2.gz MNUDSEOWULSZKX-IRXDYDNUSA-N 1 2 327.424 3.041 20 30 EGEDLO C#CCOc1ccc(CN2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)cc1 ZINC001138560989 1377743250 /nfs/dbraw/zinc/74/32/50/1377743250.db2.gz TVALMGISKKCAQH-GOSISDBHSA-N 1 2 334.410 3.004 20 30 EGEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)c(F)c1 ZINC001140134942 1378016724 /nfs/dbraw/zinc/01/67/24/1378016724.db2.gz IUKDVHXFFXVXLP-UHFFFAOYSA-N 1 2 327.378 3.154 20 30 EGEDLO COc1cc(C[N@H+](C)Cc2ccc(F)cc2C#N)cc(OC)c1OC ZINC001141166340 1378257942 /nfs/dbraw/zinc/25/79/42/1378257942.db2.gz HEVWMNAFYYKKOC-UHFFFAOYSA-N 1 2 344.386 3.355 20 30 EGEDLO COc1cc(C[N@@H+](C)Cc2ccc(F)cc2C#N)cc(OC)c1OC ZINC001141166340 1378257949 /nfs/dbraw/zinc/25/79/49/1378257949.db2.gz HEVWMNAFYYKKOC-UHFFFAOYSA-N 1 2 344.386 3.355 20 30 EGEDLO Cc1cccc(OC2CC[NH+](Cc3ccc(F)cc3C#N)CC2)n1 ZINC001141167363 1378258054 /nfs/dbraw/zinc/25/80/54/1378258054.db2.gz JBXMPUDSAREUEZ-UHFFFAOYSA-N 1 2 325.387 3.444 20 30 EGEDLO N#Cc1ccc(Oc2ccc(C[N@H+]3CC(=O)N4CCC[C@@H]4C3)cc2)cc1 ZINC001141296244 1378294855 /nfs/dbraw/zinc/29/48/55/1378294855.db2.gz YPQSPJIGJZQDSU-GOSISDBHSA-N 1 2 347.418 3.157 20 30 EGEDLO N#Cc1ccc(Oc2ccc(C[N@@H+]3CC(=O)N4CCC[C@@H]4C3)cc2)cc1 ZINC001141296244 1378294861 /nfs/dbraw/zinc/29/48/61/1378294861.db2.gz YPQSPJIGJZQDSU-GOSISDBHSA-N 1 2 347.418 3.157 20 30 EGEDLO C=CCN1CC[NH+](Cc2ccc(OC)c(OC3CCCC3)c2)CC1 ZINC001141521426 1378338617 /nfs/dbraw/zinc/33/86/17/1378338617.db2.gz XAEJHRBCWPOBLN-UHFFFAOYSA-N 1 2 330.472 3.320 20 30 EGEDLO CC(=O)N1CC[N@@H+](Cc2ccc(C#Cc3ccccc3)s2)C[C@@H]1C ZINC001141978097 1378400662 /nfs/dbraw/zinc/40/06/62/1378400662.db2.gz ZSJNDZPRUPRDRW-INIZCTEOSA-N 1 2 338.476 3.201 20 30 EGEDLO CC(=O)N1CC[N@H+](Cc2ccc(C#Cc3ccccc3)s2)C[C@@H]1C ZINC001141978097 1378400663 /nfs/dbraw/zinc/40/06/63/1378400663.db2.gz ZSJNDZPRUPRDRW-INIZCTEOSA-N 1 2 338.476 3.201 20 30 EGEDLO CC1(C)CC(=O)C=C(NC(=O)/C=C/c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC001142372348 1378436481 /nfs/dbraw/zinc/43/64/81/1378436481.db2.gz BDMFGMQBZLLOGX-BQYQJAHWSA-N 1 2 349.434 3.334 20 30 EGEDLO CCc1nc(C2CC[NH+](Cc3c(F)ccc(C#N)c3F)CC2)no1 ZINC001143174044 1378553799 /nfs/dbraw/zinc/55/37/99/1378553799.db2.gz KUSUGXWRSNORFU-UHFFFAOYSA-N 1 2 332.354 3.161 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CCc2ccc(C)cc2C)C1 ZINC001282724511 1378578526 /nfs/dbraw/zinc/57/85/26/1378578526.db2.gz HQKJAUZZAQIXEO-MRXNPFEDSA-N 1 2 334.891 3.425 20 30 EGEDLO O=C1C=C2C[N@H+](Cc3ccc(F)c(OC(F)(F)F)c3)CC[C@H]2S1 ZINC001143443175 1378598036 /nfs/dbraw/zinc/59/80/36/1378598036.db2.gz XIGUMINTWPIAJY-CYBMUJFWSA-N 1 2 347.333 3.498 20 30 EGEDLO O=C1C=C2C[N@@H+](Cc3ccc(F)c(OC(F)(F)F)c3)CC[C@H]2S1 ZINC001143443175 1378598042 /nfs/dbraw/zinc/59/80/42/1378598042.db2.gz XIGUMINTWPIAJY-CYBMUJFWSA-N 1 2 347.333 3.498 20 30 EGEDLO CCCC[N@H+](CCC#N)Cc1ccc(OC(C)=O)c(OC(C)=O)c1 ZINC001144279660 1378709435 /nfs/dbraw/zinc/70/94/35/1378709435.db2.gz ZSXASIYYUWYVQU-UHFFFAOYSA-N 1 2 332.400 3.053 20 30 EGEDLO CCCC[N@@H+](CCC#N)Cc1ccc(OC(C)=O)c(OC(C)=O)c1 ZINC001144279660 1378709438 /nfs/dbraw/zinc/70/94/38/1378709438.db2.gz ZSXASIYYUWYVQU-UHFFFAOYSA-N 1 2 332.400 3.053 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@H+](Cc1ccn(C(C)C)n1)C2 ZINC001148126272 1379122016 /nfs/dbraw/zinc/12/20/16/1379122016.db2.gz VQJWDERGGUQUEU-KRWDZBQOSA-N 1 2 344.503 3.101 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](Cc1ccn(C(C)C)n1)C2 ZINC001148126272 1379122019 /nfs/dbraw/zinc/12/20/19/1379122019.db2.gz VQJWDERGGUQUEU-KRWDZBQOSA-N 1 2 344.503 3.101 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1nnc(C)s1)C2 ZINC001148363744 1379156555 /nfs/dbraw/zinc/15/65/55/1379156555.db2.gz MWBUGRVMSWWVLS-CYBMUJFWSA-N 1 2 348.516 3.044 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1nnc(C)s1)C2 ZINC001148363744 1379156556 /nfs/dbraw/zinc/15/65/56/1379156556.db2.gz MWBUGRVMSWWVLS-CYBMUJFWSA-N 1 2 348.516 3.044 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)CC(CC)CC)C2)C1 ZINC001148493464 1379188681 /nfs/dbraw/zinc/18/86/81/1379188681.db2.gz XYNFUEUUSSDAPH-UHFFFAOYSA-N 1 2 343.309 3.256 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)CC(CC)CC)C2)C1 ZINC001148493464 1379188683 /nfs/dbraw/zinc/18/86/83/1379188683.db2.gz XYNFUEUUSSDAPH-UHFFFAOYSA-N 1 2 343.309 3.256 20 30 EGEDLO CCCCCCCCC(=O)NCC[NH2+]Cc1nc(CC(C)C)no1 ZINC001148728141 1379255089 /nfs/dbraw/zinc/25/50/89/1379255089.db2.gz XIMYFDCIAVBUOP-UHFFFAOYSA-N 1 2 338.496 3.225 20 30 EGEDLO CC(C)Oc1ccc(C(=O)NCc2c[nH+]cn2C2CCC2)cc1C#N ZINC001148779778 1379267297 /nfs/dbraw/zinc/26/72/97/1379267297.db2.gz QFTYXMXMVRCILP-UHFFFAOYSA-N 1 2 338.411 3.197 20 30 EGEDLO CCCCCCCCCC(=O)NCC[NH2+]Cc1nn(C)cc1Cl ZINC001148820549 1379275598 /nfs/dbraw/zinc/27/55/98/1379275598.db2.gz IEBOGIPMDJDXBQ-UHFFFAOYSA-N 1 2 342.915 3.420 20 30 EGEDLO CC(C)(CCC#N)c1ccc(C(=O)NCCOc2cc[nH+]cc2)cc1 ZINC001148915657 1379297804 /nfs/dbraw/zinc/29/78/04/1379297804.db2.gz WWFMFBXZFDMDEW-UHFFFAOYSA-N 1 2 337.423 3.472 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)CC2(C)CCCCC2)C1 ZINC001149966525 1379476206 /nfs/dbraw/zinc/47/62/06/1379476206.db2.gz LLLWWRORRMZLQV-INIZCTEOSA-N 1 2 342.911 3.307 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)CC2(C)CCCCC2)C1 ZINC001149966525 1379476211 /nfs/dbraw/zinc/47/62/11/1379476211.db2.gz LLLWWRORRMZLQV-INIZCTEOSA-N 1 2 342.911 3.307 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)CC2CCCC2)C1 ZINC001150402738 1379547907 /nfs/dbraw/zinc/54/79/07/1379547907.db2.gz FDSJFKAVEFMHOQ-YOEHRIQHSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)CC2CCCC2)C1 ZINC001150402738 1379547910 /nfs/dbraw/zinc/54/79/10/1379547910.db2.gz FDSJFKAVEFMHOQ-YOEHRIQHSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)CC(C)(C)C)C1 ZINC001150410542 1379550577 /nfs/dbraw/zinc/55/05/77/1379550577.db2.gz OGYIIPKBMAYBAG-ZFWWWQNUSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)CC(C)(C)C)C1 ZINC001150410542 1379550580 /nfs/dbraw/zinc/55/05/80/1379550580.db2.gz OGYIIPKBMAYBAG-ZFWWWQNUSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001150841058 1379620829 /nfs/dbraw/zinc/62/08/29/1379620829.db2.gz BRCKKKFYSBDSTO-CQSZACIVSA-N 1 2 342.911 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001150841058 1379620830 /nfs/dbraw/zinc/62/08/30/1379620830.db2.gz BRCKKKFYSBDSTO-CQSZACIVSA-N 1 2 342.911 3.018 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H]1C=CCC1 ZINC001151801310 1379783723 /nfs/dbraw/zinc/78/37/23/1379783723.db2.gz OLGJBXHBBMMDHG-ZIAGYGMSSA-N 1 2 329.282 3.078 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C[C@@H]1C=CCC1 ZINC001151801310 1379783728 /nfs/dbraw/zinc/78/37/28/1379783728.db2.gz OLGJBXHBBMMDHG-ZIAGYGMSSA-N 1 2 329.282 3.078 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(CC)o1 ZINC001154050816 1380191212 /nfs/dbraw/zinc/19/12/12/1380191212.db2.gz ZWCXILFYKQOXKC-GFCCVEGCSA-N 1 2 343.265 3.191 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(CC)o1 ZINC001154050816 1380191213 /nfs/dbraw/zinc/19/12/13/1380191213.db2.gz ZWCXILFYKQOXKC-GFCCVEGCSA-N 1 2 343.265 3.191 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)CCC(C)(F)F ZINC001154058923 1380193746 /nfs/dbraw/zinc/19/37/46/1380193746.db2.gz JCWYXDTXZBOVRH-LLVKDONJSA-N 1 2 341.240 3.157 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)CCC(C)(F)F ZINC001154058923 1380193747 /nfs/dbraw/zinc/19/37/47/1380193747.db2.gz JCWYXDTXZBOVRH-LLVKDONJSA-N 1 2 341.240 3.157 20 30 EGEDLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C2(C#N)CC(C)C2)CC1 ZINC001154160035 1380218646 /nfs/dbraw/zinc/21/86/46/1380218646.db2.gz JNYBDIJGTGYDCW-VDUSKEEQSA-N 1 2 343.446 3.361 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(F)ccc1C#N ZINC001154720323 1380339354 /nfs/dbraw/zinc/33/93/54/1380339354.db2.gz XNOMJXFVEKMUKB-MRXNPFEDSA-N 1 2 343.446 3.218 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(F)ccc1C#N ZINC001154720323 1380339356 /nfs/dbraw/zinc/33/93/56/1380339356.db2.gz XNOMJXFVEKMUKB-MRXNPFEDSA-N 1 2 343.446 3.218 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C1(F)CCCCC1 ZINC001156182735 1380537768 /nfs/dbraw/zinc/53/77/68/1380537768.db2.gz DGEIBRVJVXFAIS-CYBMUJFWSA-N 1 2 349.288 3.394 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C1(F)CCCCC1 ZINC001156182735 1380537770 /nfs/dbraw/zinc/53/77/70/1380537770.db2.gz DGEIBRVJVXFAIS-CYBMUJFWSA-N 1 2 349.288 3.394 20 30 EGEDLO Cc1ccc2nc(-c3ccccc3F)nc(N3CC[NH2+]C[C@@H]3C#N)c2c1 ZINC001156319933 1380557936 /nfs/dbraw/zinc/55/79/36/1380557936.db2.gz KDKJBRCPPJPBIT-AWEZNQCLSA-N 1 2 347.397 3.046 20 30 EGEDLO Cc1nc(Cl)nc(N(C)Cc2ccc(-n3cc[nH+]c3)cc2)c1C#N ZINC001156783196 1380634148 /nfs/dbraw/zinc/63/41/48/1380634148.db2.gz GSIODUWAUJGUCN-UHFFFAOYSA-N 1 2 338.802 3.132 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC=CC1 ZINC001157737521 1381018021 /nfs/dbraw/zinc/01/80/21/1381018021.db2.gz BLBOHDFLFBSXJN-OAHLLOKOSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CC=CC1 ZINC001157737521 1381018027 /nfs/dbraw/zinc/01/80/27/1381018027.db2.gz BLBOHDFLFBSXJN-OAHLLOKOSA-N 1 2 341.293 3.174 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@@H](C)c1nnc(C)o1 ZINC001158005095 1381099206 /nfs/dbraw/zinc/09/92/06/1381099206.db2.gz CNBDNMBSAKSBII-GOEBONIOSA-N 1 2 348.491 3.354 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@@H](C)c1nnc(C)o1 ZINC001158005095 1381099213 /nfs/dbraw/zinc/09/92/13/1381099213.db2.gz CNBDNMBSAKSBII-GOEBONIOSA-N 1 2 348.491 3.354 20 30 EGEDLO Cc1cc(O[C@@H]2CCCN(c3[nH+]ccc4ccc(C#N)cc43)C2)ncn1 ZINC001158124356 1381134898 /nfs/dbraw/zinc/13/48/98/1381134898.db2.gz IPOVLPHBBHHNGT-QGZVFWFLSA-N 1 2 345.406 3.253 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccn(CC)n1 ZINC001158369460 1381220239 /nfs/dbraw/zinc/22/02/39/1381220239.db2.gz FQFOFAJDGNAMKJ-PKOBYXMFSA-N 1 2 346.519 3.318 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccn(CC)n1 ZINC001158369460 1381220242 /nfs/dbraw/zinc/22/02/42/1381220242.db2.gz FQFOFAJDGNAMKJ-PKOBYXMFSA-N 1 2 346.519 3.318 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nccn1CC ZINC001158370361 1381220871 /nfs/dbraw/zinc/22/08/71/1381220871.db2.gz UZYVQGVTDOZIIA-QZTJIDSGSA-N 1 2 346.519 3.318 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nccn1CC ZINC001158370361 1381220875 /nfs/dbraw/zinc/22/08/75/1381220875.db2.gz UZYVQGVTDOZIIA-QZTJIDSGSA-N 1 2 346.519 3.318 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cc(C)n(C)n1 ZINC001158378144 1381225943 /nfs/dbraw/zinc/22/59/43/1381225943.db2.gz ZCZMHCQSRKKFNG-IEBWSBKVSA-N 1 2 346.519 3.144 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cc(C)n(C)n1 ZINC001158378144 1381225950 /nfs/dbraw/zinc/22/59/50/1381225950.db2.gz ZCZMHCQSRKKFNG-IEBWSBKVSA-N 1 2 346.519 3.144 20 30 EGEDLO C=CCCC(=O)NCCC1=CC[N@H+](Cc2nc3c(o2)CCCC3)CC1 ZINC001159543868 1381823916 /nfs/dbraw/zinc/82/39/16/1381823916.db2.gz DCRKFJYSTHUKLR-UHFFFAOYSA-N 1 2 343.471 3.158 20 30 EGEDLO C=CCCC(=O)NCCC1=CC[N@@H+](Cc2nc3c(o2)CCCC3)CC1 ZINC001159543868 1381823922 /nfs/dbraw/zinc/82/39/22/1381823922.db2.gz DCRKFJYSTHUKLR-UHFFFAOYSA-N 1 2 343.471 3.158 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@H+]([C@H](C)c2nnc(C)s2)CC1 ZINC001160888364 1382225798 /nfs/dbraw/zinc/22/57/98/1382225798.db2.gz RPIYDIMUQKLROO-CYBMUJFWSA-N 1 2 348.516 3.258 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@@H+]([C@H](C)c2nnc(C)s2)CC1 ZINC001160888364 1382225804 /nfs/dbraw/zinc/22/58/04/1382225804.db2.gz RPIYDIMUQKLROO-CYBMUJFWSA-N 1 2 348.516 3.258 20 30 EGEDLO CC(C)n1c[nH+]cc1CNc1nc(C#N)ccc1NC(=O)C(C)(C)C ZINC001161565310 1382439936 /nfs/dbraw/zinc/43/99/36/1382439936.db2.gz MHANOLXVLWFBAM-UHFFFAOYSA-N 1 2 340.431 3.327 20 30 EGEDLO CCN(CC)C(=O)[C@@H]1CCCN(c2[nH+]ccc3ccc(C#N)cc32)C1 ZINC001163563651 1383080704 /nfs/dbraw/zinc/08/07/04/1383080704.db2.gz UWECZXAQPCWCTQ-QGZVFWFLSA-N 1 2 336.439 3.191 20 30 EGEDLO N#CC1(c2cc[nH+]c(NCCc3nc(-c4ccccc4)no3)c2)CC1 ZINC001164101922 1383156555 /nfs/dbraw/zinc/15/65/55/1383156555.db2.gz WBKZYMFMGCRMLV-UHFFFAOYSA-N 1 2 331.379 3.341 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1(C[NH2+]Cc2noc(CCC)n2)CC1 ZINC001166756392 1383472915 /nfs/dbraw/zinc/47/29/15/1383472915.db2.gz WMLBWRCEJXHBDS-OAHLLOKOSA-N 1 2 348.491 3.001 20 30 EGEDLO N#CCc1cc[nH+]c(N2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)c1 ZINC001167175599 1383558910 /nfs/dbraw/zinc/55/89/10/1383558910.db2.gz AANQDEWLTFLDHR-GASCZTMLSA-N 1 2 327.391 3.182 20 30 EGEDLO CCCOCCNc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(C)[nH+]1 ZINC001167873064 1383762841 /nfs/dbraw/zinc/76/28/41/1383762841.db2.gz XZUBXBNLGAGVSY-JMOSNPTESA-N 1 2 325.478 3.110 20 30 EGEDLO Cc1c(C#N)ccnc1NCCSCc1csc(C[NH+](C)C)n1 ZINC001168109868 1383819332 /nfs/dbraw/zinc/81/93/32/1383819332.db2.gz YLNLLERRYGBOFA-UHFFFAOYSA-N 1 2 347.513 3.125 20 30 EGEDLO N#Cc1cnc2nc(Cl)ccc2c1NCCc1cn2ccccc2[nH+]1 ZINC001169002252 1384084394 /nfs/dbraw/zinc/08/43/94/1384084394.db2.gz LQVBHEVUDZCDJT-UHFFFAOYSA-N 1 2 348.797 3.457 20 30 EGEDLO N#Cc1c(F)c(F)c(NCCc2cn3ccccc3[nH+]2)c(F)c1F ZINC001169003911 1384085415 /nfs/dbraw/zinc/08/54/15/1384085415.db2.gz KFLYTIRHFADLCR-UHFFFAOYSA-N 1 2 334.276 3.417 20 30 EGEDLO N#CC1(c2cc[nH+]c(NCc3cc(F)cc4c3OCOC4)c2)CC1 ZINC001169097701 1384106974 /nfs/dbraw/zinc/10/69/74/1384106974.db2.gz MZDTZTIJQQMCLK-UHFFFAOYSA-N 1 2 325.343 3.254 20 30 EGEDLO COc1cc(CNc2ccc(-c3cnn(C)c3)c(C)[nH+]2)ccc1C#N ZINC001308415797 1384124767 /nfs/dbraw/zinc/12/47/67/1384124767.db2.gz ZJIZLDGEBHDWTI-UHFFFAOYSA-N 1 2 333.395 3.283 20 30 EGEDLO CC(C)[C@@](C)(C#N)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171240321 1384477249 /nfs/dbraw/zinc/47/72/49/1384477249.db2.gz YYGJQERSANMIEV-AQDPXUSMSA-N 1 2 325.456 3.350 20 30 EGEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172302190 1384763762 /nfs/dbraw/zinc/76/37/62/1384763762.db2.gz FVRYHNSNLPCQQT-UWJYYQICSA-N 1 2 348.446 3.419 20 30 EGEDLO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001172309911 1384765289 /nfs/dbraw/zinc/76/52/89/1384765289.db2.gz XNTSWHIBUNHERU-COXVUDFISA-N 1 2 347.434 3.036 20 30 EGEDLO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001172309911 1384765292 /nfs/dbraw/zinc/76/52/92/1384765292.db2.gz XNTSWHIBUNHERU-COXVUDFISA-N 1 2 347.434 3.036 20 30 EGEDLO C=CCOC(=O)[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001172368018 1384778812 /nfs/dbraw/zinc/77/88/12/1384778812.db2.gz HUKAPXJOQXZSJH-QXSJWSMHSA-N 1 2 339.476 3.230 20 30 EGEDLO C[C@H]1C[N@@H+](C2CCC(C)(C#N)CC2)Cc2nnc(C(F)(F)F)n21 ZINC001173601120 1384985389 /nfs/dbraw/zinc/98/53/89/1384985389.db2.gz OYCWSQZZOIPWTP-IFQILLTASA-N 1 2 327.354 3.146 20 30 EGEDLO C[C@H]1C[N@H+](C2CCC(C)(C#N)CC2)Cc2nnc(C(F)(F)F)n21 ZINC001173601120 1384985390 /nfs/dbraw/zinc/98/53/90/1384985390.db2.gz OYCWSQZZOIPWTP-IFQILLTASA-N 1 2 327.354 3.146 20 30 EGEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)C(C)(C)C(C)C ZINC001317539969 1385275133 /nfs/dbraw/zinc/27/51/33/1385275133.db2.gz CVBCHELJEXWJBI-UHFFFAOYSA-N 1 2 333.314 3.405 20 30 EGEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)C(C)(C)C(C)C ZINC001317539969 1385275136 /nfs/dbraw/zinc/27/51/36/1385275136.db2.gz CVBCHELJEXWJBI-UHFFFAOYSA-N 1 2 333.314 3.405 20 30 EGEDLO COC(=O)c1sc(SC)c(C#N)c1Nc1c[nH+]ccc1OC ZINC001176118513 1385488662 /nfs/dbraw/zinc/48/86/62/1385488662.db2.gz MNFAJRRKXYCJRF-UHFFFAOYSA-N 1 2 335.410 3.275 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2sccc2Cl)C1 ZINC001318318760 1385650838 /nfs/dbraw/zinc/65/08/38/1385650838.db2.gz AAECBQALEMJKQY-QWHCGFSZSA-N 1 2 342.892 3.073 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2sccc2Cl)C1 ZINC001318318760 1385650842 /nfs/dbraw/zinc/65/08/42/1385650842.db2.gz AAECBQALEMJKQY-QWHCGFSZSA-N 1 2 342.892 3.073 20 30 EGEDLO C=CCCCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccs3)C[C@@H]21 ZINC001176886627 1385731534 /nfs/dbraw/zinc/73/15/34/1385731534.db2.gz FGKAUTDNYAIYEW-DLBZAZTESA-N 1 2 348.512 3.410 20 30 EGEDLO C=CCCCCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccs3)C[C@@H]21 ZINC001176886627 1385731539 /nfs/dbraw/zinc/73/15/39/1385731539.db2.gz FGKAUTDNYAIYEW-DLBZAZTESA-N 1 2 348.512 3.410 20 30 EGEDLO C=CCC1(C(=O)NCCC[NH2+]Cc2noc(CCCC)n2)CCCC1 ZINC001177553090 1385995816 /nfs/dbraw/zinc/99/58/16/1385995816.db2.gz XIQDJESIMJMTHW-UHFFFAOYSA-N 1 2 348.491 3.145 20 30 EGEDLO N#CC1(CC(=O)N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)CCCCC1 ZINC001181362912 1386982089 /nfs/dbraw/zinc/98/20/89/1386982089.db2.gz OEVSQLNARWESGS-HNNXBMFYSA-N 1 2 339.430 3.183 20 30 EGEDLO CC[C@@](C)(C#N)C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001321836771 1386993806 /nfs/dbraw/zinc/99/38/06/1386993806.db2.gz QJTLUMULUMFKPE-IBGZPJMESA-N 1 2 339.443 3.427 20 30 EGEDLO CC[NH+](CC)[C@@H](C(=O)N1CCC[C@H](C#N)C1)c1ccccc1Cl ZINC001182220790 1387123832 /nfs/dbraw/zinc/12/38/32/1387123832.db2.gz NOGWQEXMJGUEDW-RHSMWYFYSA-N 1 2 333.863 3.485 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([NH2+]Cc2nc(C3CCCC3)no2)C1 ZINC001182897913 1387241974 /nfs/dbraw/zinc/24/19/74/1387241974.db2.gz LIVCKQZGKFNMNN-OAHLLOKOSA-N 1 2 346.475 3.020 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH2+][C@@H](c3cccc(OC)c3)C2)CCCC1 ZINC001337330042 1389306109 /nfs/dbraw/zinc/30/61/09/1389306109.db2.gz WOQKEQJQYHQOTE-GOSISDBHSA-N 1 2 328.456 3.305 20 30 EGEDLO C[C@@H](CNc1ccc(C#N)c(Br)c1F)Cn1cc[nH+]c1 ZINC001337735132 1389429541 /nfs/dbraw/zinc/42/95/41/1389429541.db2.gz SPZLEKFORFYWBD-JTQLQIEISA-N 1 2 337.196 3.405 20 30 EGEDLO C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCC[N@@H+]2C)n1C ZINC001339202433 1389940852 /nfs/dbraw/zinc/94/08/52/1389940852.db2.gz BCKHVDSYSGEKSV-KRWDZBQOSA-N 1 2 325.460 3.165 20 30 EGEDLO C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCC[N@H+]2C)n1C ZINC001339202433 1389940855 /nfs/dbraw/zinc/94/08/55/1389940855.db2.gz BCKHVDSYSGEKSV-KRWDZBQOSA-N 1 2 325.460 3.165 20 30 EGEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@@H](C)C[C@@H](C)C1 ZINC001341868426 1390541160 /nfs/dbraw/zinc/54/11/60/1390541160.db2.gz NDFCTUNPSMJVBZ-HZPDHXFCSA-N 1 2 342.491 3.051 20 30 EGEDLO C=CCN(c1nnc([C@@H]2CCCC[N@@H+]2C)n1CCCOCC)C1CC1 ZINC001343121007 1390692829 /nfs/dbraw/zinc/69/28/29/1390692829.db2.gz PHMBNNHSXRVYDS-KRWDZBQOSA-N 1 2 347.507 3.016 20 30 EGEDLO C=CCN(c1nnc([C@@H]2CCCC[N@H+]2C)n1CCCOCC)C1CC1 ZINC001343121007 1390692831 /nfs/dbraw/zinc/69/28/31/1390692831.db2.gz PHMBNNHSXRVYDS-KRWDZBQOSA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(C)CCCC ZINC001343947267 1390745806 /nfs/dbraw/zinc/74/58/06/1390745806.db2.gz JZPXWAJDXUMGBN-DLBZAZTESA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(C)CCCC ZINC001343947267 1390745807 /nfs/dbraw/zinc/74/58/07/1390745807.db2.gz JZPXWAJDXUMGBN-DLBZAZTESA-N 1 2 347.507 3.016 20 30 EGEDLO N#Cc1cc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cs1 ZINC001344125521 1390757539 /nfs/dbraw/zinc/75/75/39/1390757539.db2.gz UGFCCYNDVNDHBK-UHFFFAOYSA-N 1 2 328.441 3.149 20 30 EGEDLO CC(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](CC#N)C1 ZINC001347415087 1391072256 /nfs/dbraw/zinc/07/22/56/1391072256.db2.gz ZPQJCARGJGTZCY-IAGOWNOFSA-N 1 2 344.507 3.221 20 30 EGEDLO CC(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](CC#N)C1 ZINC001347415087 1391072261 /nfs/dbraw/zinc/07/22/61/1391072261.db2.gz ZPQJCARGJGTZCY-IAGOWNOFSA-N 1 2 344.507 3.221 20 30 EGEDLO C=C1CCC(C(=O)N2CC[NH+](Cc3ccccc3OC)CC2)CC1 ZINC001350340225 1391450022 /nfs/dbraw/zinc/45/00/22/1391450022.db2.gz AMLFFZLTSIRLPP-UHFFFAOYSA-N 1 2 328.456 3.086 20 30 EGEDLO N#CC1(C[NH+]2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC001351613920 1391657038 /nfs/dbraw/zinc/65/70/38/1391657038.db2.gz BSNAHZNZSPAWJG-UHFFFAOYSA-N 1 2 325.334 3.247 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCOc2ccccc2C)C1 ZINC001479914913 1392482913 /nfs/dbraw/zinc/48/29/13/1392482913.db2.gz YYYLYNWPOQEVOK-INIZCTEOSA-N 1 2 336.863 3.097 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCOc2ccccc2C)C1 ZINC001479914913 1392482915 /nfs/dbraw/zinc/48/29/15/1392482915.db2.gz YYYLYNWPOQEVOK-INIZCTEOSA-N 1 2 336.863 3.097 20 30 EGEDLO CCC1(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cc(C#N)ccc2F)CC1 ZINC001480325076 1392685109 /nfs/dbraw/zinc/68/51/09/1392685109.db2.gz TZZFKJQBSXRZFY-KRWDZBQOSA-N 1 2 343.446 3.358 20 30 EGEDLO CCC1(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cc(C#N)ccc2F)CC1 ZINC001480325076 1392685110 /nfs/dbraw/zinc/68/51/10/1392685110.db2.gz TZZFKJQBSXRZFY-KRWDZBQOSA-N 1 2 343.446 3.358 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(CCC)C(=O)CCCF)CC1 ZINC001690136422 1404335130 /nfs/dbraw/zinc/33/51/30/1404335130.db2.gz MFKAFHZKEUOQDP-UHFFFAOYSA-N 1 2 349.288 3.348 20 30 EGEDLO Cc1cc(C(=O)NCC[N@@H+](C)Cc2ccc(C#N)cc2F)ccc1F ZINC001690973634 1404883322 /nfs/dbraw/zinc/88/33/22/1404883322.db2.gz OAXGLPHGVKTYIH-UHFFFAOYSA-N 1 2 343.377 3.007 20 30 EGEDLO Cc1cc(C(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2F)ccc1F ZINC001690973634 1404883330 /nfs/dbraw/zinc/88/33/30/1404883330.db2.gz OAXGLPHGVKTYIH-UHFFFAOYSA-N 1 2 343.377 3.007 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc(Cl)c(Cl)[nH]1)C1CC1 ZINC001691219698 1405159691 /nfs/dbraw/zinc/15/96/91/1405159691.db2.gz OOFRBLWJLAVQSD-UHFFFAOYSA-N 1 2 336.650 3.268 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc(Cl)c(Cl)[nH]1)C1CC1 ZINC001691219698 1405159694 /nfs/dbraw/zinc/15/96/94/1405159694.db2.gz OOFRBLWJLAVQSD-UHFFFAOYSA-N 1 2 336.650 3.268 20 30 EGEDLO C[C@@H](CC(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1)C1CC1 ZINC001691236706 1405176262 /nfs/dbraw/zinc/17/62/62/1405176262.db2.gz KNEYZXMCLNWZMO-AWEZNQCLSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@@H](CC(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1)C1CC1 ZINC001691236706 1405176265 /nfs/dbraw/zinc/17/62/65/1405176265.db2.gz KNEYZXMCLNWZMO-AWEZNQCLSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)Cc2ccc(F)cc2F)C1 ZINC001698580486 1406191832 /nfs/dbraw/zinc/19/18/32/1406191832.db2.gz GPEJSQDYQRGVLU-OAHLLOKOSA-N 1 2 342.817 3.183 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)Cc2ccc(F)cc2F)C1 ZINC001698580486 1406191836 /nfs/dbraw/zinc/19/18/36/1406191836.db2.gz GPEJSQDYQRGVLU-OAHLLOKOSA-N 1 2 342.817 3.183 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)Cc2cccc(F)c2)C1 ZINC001732040976 1428270561 /nfs/dbraw/zinc/27/05/61/1428270561.db2.gz CHLSCRLKQMDESP-KRWDZBQOSA-N 1 2 338.854 3.434 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)Cc2cccc(F)c2)C1 ZINC001732040976 1428270564 /nfs/dbraw/zinc/27/05/64/1428270564.db2.gz CHLSCRLKQMDESP-KRWDZBQOSA-N 1 2 338.854 3.434 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1coc2cc(C)ccc12 ZINC001700485663 1414131173 /nfs/dbraw/zinc/13/11/73/1414131173.db2.gz NLSZBLXSVNJEIE-CQSZACIVSA-N 1 2 334.847 3.473 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1coc2cc(C)ccc12 ZINC001700485663 1414131175 /nfs/dbraw/zinc/13/11/75/1414131175.db2.gz NLSZBLXSVNJEIE-CQSZACIVSA-N 1 2 334.847 3.473 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2c[nH]c3ccc(F)cc23)C1 ZINC001700547100 1414215609 /nfs/dbraw/zinc/21/56/09/1414215609.db2.gz UYZIFUNXTKTUKI-GFCCVEGCSA-N 1 2 349.837 3.039 20 30 EGEDLO CCCC(CCC)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001713085698 1417632224 /nfs/dbraw/zinc/63/22/24/1417632224.db2.gz AHLHGDDXZKWRGD-LJQANCHMSA-N 1 2 327.472 3.465 20 30 EGEDLO CCCC(CCC)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001713085698 1417632225 /nfs/dbraw/zinc/63/22/25/1417632225.db2.gz AHLHGDDXZKWRGD-LJQANCHMSA-N 1 2 327.472 3.465 20 30 EGEDLO C[C@@H](C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F)c1cccs1 ZINC001713467144 1418130386 /nfs/dbraw/zinc/13/03/86/1418130386.db2.gz ZXTHJKAYLITGIW-CYBMUJFWSA-N 1 2 345.443 3.111 20 30 EGEDLO C[C@@H](C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F)c1cccs1 ZINC001713467144 1418130389 /nfs/dbraw/zinc/13/03/89/1418130389.db2.gz ZXTHJKAYLITGIW-CYBMUJFWSA-N 1 2 345.443 3.111 20 30 EGEDLO C[N@H+](CCNC(=O)[C@@H]1CCCCC1(C)C)Cc1cc(C#N)ccc1F ZINC001713477973 1418160965 /nfs/dbraw/zinc/16/09/65/1418160965.db2.gz LLGALJBNQBZFEB-KRWDZBQOSA-N 1 2 345.462 3.462 20 30 EGEDLO C[N@@H+](CCNC(=O)[C@@H]1CCCCC1(C)C)Cc1cc(C#N)ccc1F ZINC001713477973 1418160968 /nfs/dbraw/zinc/16/09/68/1418160968.db2.gz LLGALJBNQBZFEB-KRWDZBQOSA-N 1 2 345.462 3.462 20 30 EGEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)c1ccsc1)C1CC1 ZINC001713553171 1418340353 /nfs/dbraw/zinc/34/03/53/1418340353.db2.gz SUEWIHRMFCEMSV-UHFFFAOYSA-N 1 2 325.437 3.014 20 30 EGEDLO N#Cc1ccccc1C[N@H+](CCNC(=O)c1ccsc1)C1CC1 ZINC001713553171 1418340357 /nfs/dbraw/zinc/34/03/57/1418340357.db2.gz SUEWIHRMFCEMSV-UHFFFAOYSA-N 1 2 325.437 3.014 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CCc2cc(F)ccc2F)C1 ZINC001714024745 1418808477 /nfs/dbraw/zinc/80/84/77/1418808477.db2.gz INEMAXJEPVEQPK-HNNXBMFYSA-N 1 2 342.817 3.183 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CCc2cc(F)ccc2F)C1 ZINC001714024745 1418808480 /nfs/dbraw/zinc/80/84/80/1418808480.db2.gz INEMAXJEPVEQPK-HNNXBMFYSA-N 1 2 342.817 3.183 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cscn2)C1 ZINC001714040701 1418830904 /nfs/dbraw/zinc/83/09/04/1418830904.db2.gz BSBPDGJZELTXHT-INIZCTEOSA-N 1 2 333.501 3.055 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC001714040701 1418830906 /nfs/dbraw/zinc/83/09/06/1418830906.db2.gz BSBPDGJZELTXHT-INIZCTEOSA-N 1 2 333.501 3.055 20 30 EGEDLO C[N@H+](CCNC(=O)CC1CCCCCC1)Cc1ccccc1C#N ZINC001714565061 1419293695 /nfs/dbraw/zinc/29/36/95/1419293695.db2.gz SRTJLCOOQHIKCU-UHFFFAOYSA-N 1 2 327.472 3.467 20 30 EGEDLO C[N@@H+](CCNC(=O)CC1CCCCCC1)Cc1ccccc1C#N ZINC001714565061 1419293697 /nfs/dbraw/zinc/29/36/97/1419293697.db2.gz SRTJLCOOQHIKCU-UHFFFAOYSA-N 1 2 327.472 3.467 20 30 EGEDLO CCC(CC)C(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001714662954 1419449733 /nfs/dbraw/zinc/44/97/33/1419449733.db2.gz LMINIKOBCPRHGU-UHFFFAOYSA-N 1 2 331.435 3.214 20 30 EGEDLO CCC(CC)C(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001714662954 1419449736 /nfs/dbraw/zinc/44/97/36/1419449736.db2.gz LMINIKOBCPRHGU-UHFFFAOYSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C(C)(C)c2ccc(C)cc2)C1 ZINC001717559226 1421495220 /nfs/dbraw/zinc/49/52/20/1421495220.db2.gz FMBOJMUREGUHBR-OAHLLOKOSA-N 1 2 334.891 3.462 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2c[nH]c3c2cccc3C)C1 ZINC001717560057 1421496053 /nfs/dbraw/zinc/49/60/53/1421496053.db2.gz XQXGSFDVTFTVLI-AWEZNQCLSA-N 1 2 345.874 3.208 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)COc2cc(C)cc(C)c2)C1 ZINC001724187441 1424719822 /nfs/dbraw/zinc/71/98/22/1424719822.db2.gz ASGZQUUSYOCTFE-GOSISDBHSA-N 1 2 336.863 3.015 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)COc2cc(C)cc(C)c2)C1 ZINC001724187441 1424719826 /nfs/dbraw/zinc/71/98/26/1424719826.db2.gz ASGZQUUSYOCTFE-GOSISDBHSA-N 1 2 336.863 3.015 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+](CCNC(=O)C2(F)CCCC2)C2CC2)c1 ZINC001731877629 1428143722 /nfs/dbraw/zinc/14/37/22/1428143722.db2.gz IVMUSAVSNQDGJD-UHFFFAOYSA-N 1 2 347.409 3.060 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+](CCNC(=O)C2(F)CCCC2)C2CC2)c1 ZINC001731877629 1428143723 /nfs/dbraw/zinc/14/37/23/1428143723.db2.gz IVMUSAVSNQDGJD-UHFFFAOYSA-N 1 2 347.409 3.060 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1sc(C2CC2)nc1C ZINC001734032820 1437820503 /nfs/dbraw/zinc/82/05/03/1437820503.db2.gz BGSYIUCAPXSPKT-JTQLQIEISA-N 1 2 327.881 3.132 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1sc(C2CC2)nc1C ZINC001734032820 1437820506 /nfs/dbraw/zinc/82/05/06/1437820506.db2.gz BGSYIUCAPXSPKT-JTQLQIEISA-N 1 2 327.881 3.132 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2ccc(Cl)cc2)C1 ZINC001734129136 1437906588 /nfs/dbraw/zinc/90/65/88/1437906588.db2.gz PAMBZFTZLZDYQY-GFCCVEGCSA-N 1 2 327.255 3.072 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001752326935 1440171022 /nfs/dbraw/zinc/17/10/22/1440171022.db2.gz NRNAZBBAOGHNJQ-ZBFHGGJFSA-N 1 2 335.879 3.418 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001752326935 1440171023 /nfs/dbraw/zinc/17/10/23/1440171023.db2.gz NRNAZBBAOGHNJQ-ZBFHGGJFSA-N 1 2 335.879 3.418 20 30 EGEDLO Cc1cc(Cl)ccc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC(C)C ZINC001752534331 1440194040 /nfs/dbraw/zinc/19/40/40/1440194040.db2.gz HFOLCPKJWXETQD-KDURUIRLSA-N 1 2 344.886 3.483 20 30 EGEDLO Cc1cc(Cl)ccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC(C)C ZINC001752534331 1440194041 /nfs/dbraw/zinc/19/40/41/1440194041.db2.gz HFOLCPKJWXETQD-KDURUIRLSA-N 1 2 344.886 3.483 20 30 EGEDLO C#CCCCCCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(Cl)nc1 ZINC001753110155 1440307963 /nfs/dbraw/zinc/30/79/63/1440307963.db2.gz XNVVXDVITPYNOW-QGZVFWFLSA-N 1 2 347.890 3.399 20 30 EGEDLO C#CCCCCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001753110155 1440307964 /nfs/dbraw/zinc/30/79/64/1440307964.db2.gz XNVVXDVITPYNOW-QGZVFWFLSA-N 1 2 347.890 3.399 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccn(C(C)C)n1 ZINC001753109820 1440308065 /nfs/dbraw/zinc/30/80/65/1440308065.db2.gz GQKMHECXZCWQSW-WMZOPIPTSA-N 1 2 332.492 3.147 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccn(C(C)C)n1 ZINC001753109820 1440308066 /nfs/dbraw/zinc/30/80/66/1440308066.db2.gz GQKMHECXZCWQSW-WMZOPIPTSA-N 1 2 332.492 3.147 20 30 EGEDLO CC/C(C)=C/C(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001753152950 1440329220 /nfs/dbraw/zinc/32/92/20/1440329220.db2.gz KYFKFTMOVBWQET-GXDHUFHOSA-N 1 2 329.419 3.134 20 30 EGEDLO CC/C(C)=C/C(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001753152950 1440329221 /nfs/dbraw/zinc/32/92/21/1440329221.db2.gz KYFKFTMOVBWQET-GXDHUFHOSA-N 1 2 329.419 3.134 20 30 EGEDLO CC(C)[C@H]1C[C@@H]1C(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001753162176 1440334681 /nfs/dbraw/zinc/33/46/81/1440334681.db2.gz YQNXZUSYJAFWLW-MSOLQXFVSA-N 1 2 343.446 3.070 20 30 EGEDLO CC(C)[C@H]1C[C@@H]1C(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001753162176 1440334682 /nfs/dbraw/zinc/33/46/82/1440334682.db2.gz YQNXZUSYJAFWLW-MSOLQXFVSA-N 1 2 343.446 3.070 20 30 EGEDLO C=CCC1(C(=O)NCC[N@@H+](Cc2cncn2C)C2CC2)CCCCC1 ZINC001753164632 1440335549 /nfs/dbraw/zinc/33/55/49/1440335549.db2.gz BGSYIQXTRLRLDU-UHFFFAOYSA-N 1 2 344.503 3.027 20 30 EGEDLO C=CCC1(C(=O)NCC[N@H+](Cc2cncn2C)C2CC2)CCCCC1 ZINC001753164632 1440335550 /nfs/dbraw/zinc/33/55/50/1440335550.db2.gz BGSYIQXTRLRLDU-UHFFFAOYSA-N 1 2 344.503 3.027 20 30 EGEDLO C=CCCCCC[NH+]1CC(NC(=O)c2c(C)noc2C(F)(F)F)C1 ZINC001753389139 1440388899 /nfs/dbraw/zinc/38/88/99/1440388899.db2.gz JAPCJYLUORTWRB-UHFFFAOYSA-N 1 2 345.365 3.162 20 30 EGEDLO C[C@@H](C#N)C(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC001753433344 1440399140 /nfs/dbraw/zinc/39/91/40/1440399140.db2.gz GXPGZHVZGMCQPI-AAEUAGOBSA-N 1 2 340.254 3.186 20 30 EGEDLO C[C@@H](C#N)C(=O)N(C)[C@H]1CC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC001753433344 1440399141 /nfs/dbraw/zinc/39/91/41/1440399141.db2.gz GXPGZHVZGMCQPI-AAEUAGOBSA-N 1 2 340.254 3.186 20 30 EGEDLO CCN(C(=O)C=C1CCC1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001753455749 1440408259 /nfs/dbraw/zinc/40/82/59/1440408259.db2.gz WNGPZOCVCJODDT-LJQANCHMSA-N 1 2 341.430 3.230 20 30 EGEDLO CCN(C(=O)C=C1CCC1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001753455749 1440408260 /nfs/dbraw/zinc/40/82/60/1440408260.db2.gz WNGPZOCVCJODDT-LJQANCHMSA-N 1 2 341.430 3.230 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H](CC)[NH2+]Cc2nnc(C(C)(C)C)o2)CC1 ZINC001753490437 1440419353 /nfs/dbraw/zinc/41/93/53/1440419353.db2.gz WPBRKUXYTSIUEH-OAHLLOKOSA-N 1 2 348.491 3.098 20 30 EGEDLO C=CCC1(C(=O)N(C)[C@H](C)C[NH2+]Cc2cnsn2)CCCCC1 ZINC001753729255 1440475307 /nfs/dbraw/zinc/47/53/07/1440475307.db2.gz JIMUUNUDCPAWBY-CQSZACIVSA-N 1 2 336.505 3.001 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@H]1CC[NH2+]Cc1noc(C(C)C)n1 ZINC001753776810 1440486650 /nfs/dbraw/zinc/48/66/50/1440486650.db2.gz KGEFTMIZFMGHBE-INIZCTEOSA-N 1 2 348.491 3.410 20 30 EGEDLO C[C@H]1CCC[C@@H]1CC(=O)N(C)CC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001753853921 1440507895 /nfs/dbraw/zinc/50/78/95/1440507895.db2.gz PYUCZWASDMHRCD-DOTOQJQBSA-N 1 2 345.462 3.414 20 30 EGEDLO C[C@H]1CCC[C@@H]1CC(=O)N(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001753853921 1440507896 /nfs/dbraw/zinc/50/78/96/1440507896.db2.gz PYUCZWASDMHRCD-DOTOQJQBSA-N 1 2 345.462 3.414 20 30 EGEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)C[C@@H]1C=CCCC1 ZINC001753855825 1440508805 /nfs/dbraw/zinc/50/88/05/1440508805.db2.gz KQGRHIZOTKXTJY-MRXNPFEDSA-N 1 2 343.446 3.334 20 30 EGEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)C[C@@H]1C=CCCC1 ZINC001753855825 1440508806 /nfs/dbraw/zinc/50/88/06/1440508806.db2.gz KQGRHIZOTKXTJY-MRXNPFEDSA-N 1 2 343.446 3.334 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccnn1C(CC)CC ZINC001754313262 1440574168 /nfs/dbraw/zinc/57/41/68/1440574168.db2.gz RHYSLCAFQYXBTM-ZDUSSCGKSA-N 1 2 326.872 3.047 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccnn1C(CC)CC ZINC001754313262 1440574169 /nfs/dbraw/zinc/57/41/69/1440574169.db2.gz RHYSLCAFQYXBTM-ZDUSSCGKSA-N 1 2 326.872 3.047 20 30 EGEDLO C=CCC1(C(=O)N[C@@H](C)C[N@@H+](C)Cc2cc(OC)no2)CCCCC1 ZINC001754337337 1440587096 /nfs/dbraw/zinc/58/70/96/1440587096.db2.gz UJVQXMSTOWNTHB-HNNXBMFYSA-N 1 2 349.475 3.146 20 30 EGEDLO C=CCC1(C(=O)N[C@@H](C)C[N@H+](C)Cc2cc(OC)no2)CCCCC1 ZINC001754337337 1440587097 /nfs/dbraw/zinc/58/70/97/1440587097.db2.gz UJVQXMSTOWNTHB-HNNXBMFYSA-N 1 2 349.475 3.146 20 30 EGEDLO C=C/C(C)=C/CC(=O)NC[C@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001754490454 1440610214 /nfs/dbraw/zinc/61/02/14/1440610214.db2.gz PYJFBJMXSQEDSW-ZHPQLQEBSA-N 1 2 342.870 3.404 20 30 EGEDLO C=C/C(C)=C/CC(=O)NC[C@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001754490454 1440610215 /nfs/dbraw/zinc/61/02/15/1440610215.db2.gz PYJFBJMXSQEDSW-ZHPQLQEBSA-N 1 2 342.870 3.404 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N(C)C1C[NH+](Cc2cc(F)ccc2C)C1)OCC ZINC001754576618 1440637707 /nfs/dbraw/zinc/63/77/07/1440637707.db2.gz RVWFDNZFIQQTHF-LJQANCHMSA-N 1 2 348.462 3.148 20 30 EGEDLO CC(C)[C@H](C)C(=O)NC1(C)CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001754630970 1440647823 /nfs/dbraw/zinc/64/78/23/1440647823.db2.gz ROAARUZACZNMJZ-HNNXBMFYSA-N 1 2 345.462 3.460 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H](C)OC2CCCCCC2)C1 ZINC001754677893 1440661016 /nfs/dbraw/zinc/66/10/16/1440661016.db2.gz BRRGJIHQAQLTEU-QAPCUYQASA-N 1 2 342.911 3.447 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)OC2CCCCCC2)C1 ZINC001754677893 1440661017 /nfs/dbraw/zinc/66/10/17/1440661017.db2.gz BRRGJIHQAQLTEU-QAPCUYQASA-N 1 2 342.911 3.447 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H](C)c2cccc(OC)c2)C1 ZINC001754685251 1440664583 /nfs/dbraw/zinc/66/45/83/1440664583.db2.gz HOIWGWBCVZZZLP-KSSFIOAISA-N 1 2 336.863 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)c2cccc(OC)c2)C1 ZINC001754685251 1440664584 /nfs/dbraw/zinc/66/45/84/1440664584.db2.gz HOIWGWBCVZZZLP-KSSFIOAISA-N 1 2 336.863 3.132 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H](C)Cc2cccc(F)c2)C1 ZINC001754685681 1440664938 /nfs/dbraw/zinc/66/49/38/1440664938.db2.gz PUBZKUYQSXXFGJ-ACJLOTCBSA-N 1 2 338.854 3.337 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)Cc2cccc(F)c2)C1 ZINC001754685681 1440664939 /nfs/dbraw/zinc/66/49/39/1440664939.db2.gz PUBZKUYQSXXFGJ-ACJLOTCBSA-N 1 2 338.854 3.337 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCC1(C)CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001754720392 1440672932 /nfs/dbraw/zinc/67/29/32/1440672932.db2.gz OAEWAAKXGPADGE-FXAWDEMLSA-N 1 2 336.520 3.234 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@]1(C)CCC[N@H+](Cc2coc(C)n2)C1 ZINC001754735442 1440681926 /nfs/dbraw/zinc/68/19/26/1440681926.db2.gz CJLAIEMHJZRBTR-IBGZPJMESA-N 1 2 333.476 3.304 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@]1(C)CCC[N@@H+](Cc2coc(C)n2)C1 ZINC001754735442 1440681927 /nfs/dbraw/zinc/68/19/27/1440681927.db2.gz CJLAIEMHJZRBTR-IBGZPJMESA-N 1 2 333.476 3.304 20 30 EGEDLO CC(C)=CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2C#N)CCC1(F)F ZINC001754741372 1440683171 /nfs/dbraw/zinc/68/31/71/1440683171.db2.gz GFQYQJUNMLNOSX-KRWDZBQOSA-N 1 2 347.409 3.098 20 30 EGEDLO CC(C)=CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2C#N)CCC1(F)F ZINC001754741372 1440683172 /nfs/dbraw/zinc/68/31/72/1440683172.db2.gz GFQYQJUNMLNOSX-KRWDZBQOSA-N 1 2 347.409 3.098 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3Cc2cc(C)on2)CCC1 ZINC001754868280 1440703818 /nfs/dbraw/zinc/70/38/18/1440703818.db2.gz KJKQIVJYTOPHHE-MSOLQXFVSA-N 1 2 343.471 3.295 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cc(C)on2)CCC1 ZINC001754868280 1440703819 /nfs/dbraw/zinc/70/38/19/1440703819.db2.gz KJKQIVJYTOPHHE-MSOLQXFVSA-N 1 2 343.471 3.295 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3Cc2cc(C)on2)CCC1 ZINC001754868281 1440703916 /nfs/dbraw/zinc/70/39/16/1440703916.db2.gz KJKQIVJYTOPHHE-QZTJIDSGSA-N 1 2 343.471 3.295 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3Cc2cc(C)on2)CCC1 ZINC001754868281 1440703917 /nfs/dbraw/zinc/70/39/17/1440703917.db2.gz KJKQIVJYTOPHHE-QZTJIDSGSA-N 1 2 343.471 3.295 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1COC2(C[NH+](Cc3ccc(CC)cc3)C2)C1 ZINC001755064452 1440744774 /nfs/dbraw/zinc/74/47/74/1440744774.db2.gz UQDSRXUETWNIOR-IBGZPJMESA-N 1 2 342.483 3.065 20 30 EGEDLO CC[C@H](F)C(=O)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)CC1(C)C ZINC001755140977 1440760305 /nfs/dbraw/zinc/76/03/05/1440760305.db2.gz JZFBFZZQZAVUNP-DLBZAZTESA-N 1 2 349.425 3.162 20 30 EGEDLO CC[C@H](F)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)CC1(C)C ZINC001755140977 1440760306 /nfs/dbraw/zinc/76/03/06/1440760306.db2.gz JZFBFZZQZAVUNP-DLBZAZTESA-N 1 2 349.425 3.162 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CC(C)(C)C)C[C@@H]1C ZINC001755158508 1440763722 /nfs/dbraw/zinc/76/37/22/1440763722.db2.gz VZJGUSLJCDUHAK-STQMWFEESA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CC(C)(C)C)C[C@@H]1C ZINC001755158508 1440763723 /nfs/dbraw/zinc/76/37/23/1440763723.db2.gz VZJGUSLJCDUHAK-STQMWFEESA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)CCC1CCC1 ZINC001755190258 1440774555 /nfs/dbraw/zinc/77/45/55/1440774555.db2.gz XOYRQUIZABVVIW-HNNXBMFYSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CCC1CCC1 ZINC001755190258 1440774556 /nfs/dbraw/zinc/77/45/56/1440774556.db2.gz XOYRQUIZABVVIW-HNNXBMFYSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C/C(C)=C\CC(=O)N1CCC[C@H]1C[N@@H+](C)CC(=C)Br ZINC001755197842 1440777860 /nfs/dbraw/zinc/77/78/60/1440777860.db2.gz OHCYZOFBBYLZHQ-ODDCISTRSA-N 1 2 341.293 3.340 20 30 EGEDLO C=C/C(C)=C\CC(=O)N1CCC[C@H]1C[N@H+](C)CC(=C)Br ZINC001755197842 1440777861 /nfs/dbraw/zinc/77/78/61/1440777861.db2.gz OHCYZOFBBYLZHQ-ODDCISTRSA-N 1 2 341.293 3.340 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccn(C(C)C)n1 ZINC001755198682 1440778206 /nfs/dbraw/zinc/77/82/06/1440778206.db2.gz FRWAOJPOXCUMOA-GOSISDBHSA-N 1 2 346.519 3.489 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccn(C(C)C)n1 ZINC001755198682 1440778207 /nfs/dbraw/zinc/77/82/07/1440778207.db2.gz FRWAOJPOXCUMOA-GOSISDBHSA-N 1 2 346.519 3.489 20 30 EGEDLO C=CCCC(=O)NC[C@H](C)[N@H+](C)Cc1coc(-c2ccc(F)cc2)n1 ZINC001755295425 1440806009 /nfs/dbraw/zinc/80/60/09/1440806009.db2.gz XDUOKLBJYKYTOE-AWEZNQCLSA-N 1 2 345.418 3.383 20 30 EGEDLO C=CCCC(=O)NC[C@H](C)[N@@H+](C)Cc1coc(-c2ccc(F)cc2)n1 ZINC001755295425 1440806010 /nfs/dbraw/zinc/80/60/10/1440806010.db2.gz XDUOKLBJYKYTOE-AWEZNQCLSA-N 1 2 345.418 3.383 20 30 EGEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)C[C@@H](CC)c2ccc(C)cc2)C1 ZINC001755336514 1440824058 /nfs/dbraw/zinc/82/40/58/1440824058.db2.gz WTUPAJFEFPBQNP-GOSISDBHSA-N 1 2 344.499 3.008 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@@H]1CCCCC[N@H+]1Cc1nnc(C)o1 ZINC001755363816 1440833261 /nfs/dbraw/zinc/83/32/61/1440833261.db2.gz NJEMYQZBJQHWOB-KRWDZBQOSA-N 1 2 346.475 3.007 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1nnc(C)o1 ZINC001755363816 1440833262 /nfs/dbraw/zinc/83/32/62/1440833262.db2.gz NJEMYQZBJQHWOB-KRWDZBQOSA-N 1 2 346.475 3.007 20 30 EGEDLO C=C(Br)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)C1CC1 ZINC001755365871 1440834414 /nfs/dbraw/zinc/83/44/14/1440834414.db2.gz WKEBHFFGOWRWIL-UKRRQHHQSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)C1CC1 ZINC001755365871 1440834415 /nfs/dbraw/zinc/83/44/15/1440834415.db2.gz WKEBHFFGOWRWIL-UKRRQHHQSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H](NC(=O)CCCC#CC)[C@@H]1C ZINC001755717296 1440905508 /nfs/dbraw/zinc/90/55/08/1440905508.db2.gz ROGKTWFKLDEDFK-GJZGRUSLSA-N 1 2 341.293 3.058 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)CCCC#CC)[C@@H]1C ZINC001755717296 1440905509 /nfs/dbraw/zinc/90/55/09/1440905509.db2.gz ROGKTWFKLDEDFK-GJZGRUSLSA-N 1 2 341.293 3.058 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H](C[NH2+][C@@H](C)c1noc(C)n1)C(C)(C)C ZINC001755830111 1440928473 /nfs/dbraw/zinc/92/84/73/1440928473.db2.gz KCTYMZJEGGVUFK-GXTWGEPZSA-N 1 2 336.480 3.162 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCC1=CC[N@H+](Cc2ncc(C)s2)CC1 ZINC001755893298 1440942049 /nfs/dbraw/zinc/94/20/49/1440942049.db2.gz OWCZYTJUOKWSHI-OAHLLOKOSA-N 1 2 333.501 3.302 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCC1=CC[N@@H+](Cc2ncc(C)s2)CC1 ZINC001755893298 1440942050 /nfs/dbraw/zinc/94/20/50/1440942050.db2.gz OWCZYTJUOKWSHI-OAHLLOKOSA-N 1 2 333.501 3.302 20 30 EGEDLO C=CC[NH+]1CCN(C(F)(F)c2ccc3nc(Cl)cnc3c2)CC1 ZINC001165031345 721866371 /nfs/dbraw/zinc/86/63/71/721866371.db2.gz FCLADUQUHBYORS-UHFFFAOYSA-N 1 2 338.789 3.136 20 30 EGEDLO COc1cc(OC)c(C[N@H+](C)Cc2cccc(C#N)c2)c(OC)c1 ZINC000130774724 223175853 /nfs/dbraw/zinc/17/58/53/223175853.db2.gz NFHDCRNKOJRCDR-UHFFFAOYSA-N 1 2 326.396 3.216 20 30 EGEDLO COc1cc(OC)c(C[N@@H+](C)Cc2cccc(C#N)c2)c(OC)c1 ZINC000130774724 223175855 /nfs/dbraw/zinc/17/58/55/223175855.db2.gz NFHDCRNKOJRCDR-UHFFFAOYSA-N 1 2 326.396 3.216 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000095432177 218374873 /nfs/dbraw/zinc/37/48/73/218374873.db2.gz BZCLSJAYHMNEGP-JQWIXIFHSA-N 1 2 333.270 3.130 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000095432177 218374876 /nfs/dbraw/zinc/37/48/76/218374876.db2.gz BZCLSJAYHMNEGP-JQWIXIFHSA-N 1 2 333.270 3.130 20 30 EGEDLO C[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1c(F)cccc1F ZINC000267713659 251278584 /nfs/dbraw/zinc/27/85/84/251278584.db2.gz UACDNCSYWBDINF-QMTHXVAHSA-N 1 2 347.390 3.354 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000154841326 224314691 /nfs/dbraw/zinc/31/46/91/224314691.db2.gz ACHXLNDWBUTQPO-MRXNPFEDSA-N 1 2 340.452 3.135 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000154841326 224314693 /nfs/dbraw/zinc/31/46/93/224314693.db2.gz ACHXLNDWBUTQPO-MRXNPFEDSA-N 1 2 340.452 3.135 20 30 EGEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000339488435 141122150 /nfs/dbraw/zinc/12/21/50/141122150.db2.gz AEFXRLBFDZTQRF-MRXNPFEDSA-N 1 2 339.443 3.011 20 30 EGEDLO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000348012686 141232011 /nfs/dbraw/zinc/23/20/11/141232011.db2.gz UKDPZBDRKXVJNY-ACJLOTCBSA-N 1 2 333.391 3.490 20 30 EGEDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC000172192420 144017535 /nfs/dbraw/zinc/01/75/35/144017535.db2.gz APCSLGXOPQZRJP-LJQANCHMSA-N 1 2 349.434 3.478 20 30 EGEDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC000172192420 144017537 /nfs/dbraw/zinc/01/75/37/144017537.db2.gz APCSLGXOPQZRJP-LJQANCHMSA-N 1 2 349.434 3.478 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000187143408 144153014 /nfs/dbraw/zinc/15/30/14/144153014.db2.gz CNSDMOMMLHMYER-GOSISDBHSA-N 1 2 334.847 3.372 20 30 EGEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCc2c(sc3ncnc(N)c23)C1 ZINC000363833311 144369499 /nfs/dbraw/zinc/36/94/99/144369499.db2.gz XIEFLCKSIRLCEF-LLVKDONJSA-N 1 2 335.436 3.264 20 30 EGEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCc2c(sc3ncnc(N)c23)C1 ZINC000363833311 144369501 /nfs/dbraw/zinc/36/95/01/144369501.db2.gz XIEFLCKSIRLCEF-LLVKDONJSA-N 1 2 335.436 3.264 20 30 EGEDLO Cc1ccc2[nH+]c(CNc3nc4cc(Cl)ccn4c3C#N)cn2c1 ZINC000341595684 155375089 /nfs/dbraw/zinc/37/50/89/155375089.db2.gz VNVJTFSCGQZLIY-UHFFFAOYSA-N 1 2 336.786 3.428 20 30 EGEDLO CCCC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000345507033 156129103 /nfs/dbraw/zinc/12/91/03/156129103.db2.gz MJATUSHHIIOKBQ-UHFFFAOYSA-N 1 2 325.456 3.173 20 30 EGEDLO N#Cc1cc(Br)ccc1C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000346977165 156225701 /nfs/dbraw/zinc/22/57/01/156225701.db2.gz WJEDDXGNGDDZOZ-INIZCTEOSA-N 1 2 349.203 3.283 20 30 EGEDLO CCn1cnnc1C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000109015350 162090943 /nfs/dbraw/zinc/09/09/43/162090943.db2.gz BBIVZKFZYOZSHP-UHFFFAOYSA-N 1 2 347.422 3.038 20 30 EGEDLO N#Cc1nc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1C(F)(F)F ZINC000336935187 163092081 /nfs/dbraw/zinc/09/20/81/163092081.db2.gz SUUBIPVADQYUKX-GFCCVEGCSA-N 1 2 334.301 3.025 20 30 EGEDLO Cc1ccc(C#N)cc1NC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000352178118 165269482 /nfs/dbraw/zinc/26/94/82/165269482.db2.gz JVIJCIKKNQOBOW-UHFFFAOYSA-N 1 2 345.406 3.070 20 30 EGEDLO Cc1cc(N2CCC3(CCN3C(=O)OC(C)(C)C)CC2)c(C#N)c[nH+]1 ZINC000496742668 269914257 /nfs/dbraw/zinc/91/42/57/269914257.db2.gz CCBCHJACQGNTAW-UHFFFAOYSA-N 1 2 342.443 3.242 20 30 EGEDLO N#Cc1ccc(SCc2cccc(C[NH+]3CCOCC3)c2)nc1 ZINC000421178772 270048581 /nfs/dbraw/zinc/04/85/81/270048581.db2.gz COCVNNDPYGJDMD-UHFFFAOYSA-N 1 2 325.437 3.078 20 30 EGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000176874513 265209923 /nfs/dbraw/zinc/20/99/23/265209923.db2.gz FYQOMZSJBOSCGH-LJQANCHMSA-N 1 2 340.398 3.304 20 30 EGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000176874513 265209929 /nfs/dbraw/zinc/20/99/29/265209929.db2.gz FYQOMZSJBOSCGH-LJQANCHMSA-N 1 2 340.398 3.304 20 30 EGEDLO N#Cc1cccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)c1 ZINC000444771134 270052427 /nfs/dbraw/zinc/05/24/27/270052427.db2.gz HBRYYNRHIUIKFX-UHFFFAOYSA-N 1 2 336.826 3.406 20 30 EGEDLO COC(=O)c1cccc(C[N@H+](C)CCOc2cccc(C)c2)c1C#N ZINC000533778336 270061243 /nfs/dbraw/zinc/06/12/43/270061243.db2.gz WFNCBZOAARRVFQ-UHFFFAOYSA-N 1 2 338.407 3.164 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+](C)CCOc2cccc(C)c2)c1C#N ZINC000533778336 270061244 /nfs/dbraw/zinc/06/12/44/270061244.db2.gz WFNCBZOAARRVFQ-UHFFFAOYSA-N 1 2 338.407 3.164 20 30 EGEDLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(C#N)o1 ZINC000179627488 266044805 /nfs/dbraw/zinc/04/48/05/266044805.db2.gz QZNAWRSOWZHJPU-UHFFFAOYSA-N 1 2 327.384 3.011 20 30 EGEDLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(C#N)o1 ZINC000179627488 266044809 /nfs/dbraw/zinc/04/48/09/266044809.db2.gz QZNAWRSOWZHJPU-UHFFFAOYSA-N 1 2 327.384 3.011 20 30 EGEDLO CCOC(=O)CC[N@H+](Cc1cccnc1)Cc1cccc(F)c1C#N ZINC000428348551 267116764 /nfs/dbraw/zinc/11/67/64/267116764.db2.gz MKAJMJMMXZJLEQ-UHFFFAOYSA-N 1 2 341.386 3.048 20 30 EGEDLO CCOC(=O)CC[N@@H+](Cc1cccnc1)Cc1cccc(F)c1C#N ZINC000428348551 267116766 /nfs/dbraw/zinc/11/67/66/267116766.db2.gz MKAJMJMMXZJLEQ-UHFFFAOYSA-N 1 2 341.386 3.048 20 30 EGEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000455466377 267256503 /nfs/dbraw/zinc/25/65/03/267256503.db2.gz MDYBSOOFYSQJMD-OAHLLOKOSA-N 1 2 349.438 3.335 20 30 EGEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)CCCCOc1cccc(C#N)c1 ZINC000456377995 267257324 /nfs/dbraw/zinc/25/73/24/267257324.db2.gz IKRFBFPWLQPBFI-HNNXBMFYSA-N 1 2 340.427 3.201 20 30 EGEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000459111935 267258195 /nfs/dbraw/zinc/25/81/95/267258195.db2.gz MCMIEQKFDGWHSL-HNNXBMFYSA-N 1 2 339.443 3.456 20 30 EGEDLO Cc1c(C#N)cccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178403698 267288110 /nfs/dbraw/zinc/28/81/10/267288110.db2.gz QPELMRUJOBFAOS-UHFFFAOYSA-N 1 2 347.334 3.213 20 30 EGEDLO Cc1cc(C#N)nc(N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000288211438 267315609 /nfs/dbraw/zinc/31/56/09/267315609.db2.gz DDQLMGGDQBLNCJ-AWEZNQCLSA-N 1 2 341.846 3.193 20 30 EGEDLO Cc1cc(N(C)Cc2[nH+]ccn2C)n2c3ccccc3nc2c1C#N ZINC000301074704 267334061 /nfs/dbraw/zinc/33/40/61/267334061.db2.gz JSSXJSINAHYEIQ-UHFFFAOYSA-N 1 2 330.395 3.038 20 30 EGEDLO C[C@@H]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H]1C ZINC000448580454 267742468 /nfs/dbraw/zinc/74/24/68/267742468.db2.gz YOMWPCHNVOCDDM-MBOZVWFJSA-N 1 2 339.483 3.275 20 30 EGEDLO Cc1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c(Cl)c1 ZINC000447158285 268037297 /nfs/dbraw/zinc/03/72/97/268037297.db2.gz PWBUCFMIDFRPCQ-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO Cc1[nH]c(C#N)cc1C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000412332483 268079423 /nfs/dbraw/zinc/07/94/23/268079423.db2.gz PSGUETFJTSDJJH-UHFFFAOYSA-N 1 2 333.395 3.118 20 30 EGEDLO N#Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000299199955 268149777 /nfs/dbraw/zinc/14/97/77/268149777.db2.gz UGUOATJNMNGMGM-GOSISDBHSA-N 1 2 337.448 3.287 20 30 EGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cccc(O)c2Cl)CC1 ZINC000507550935 268165236 /nfs/dbraw/zinc/16/52/36/268165236.db2.gz LQIXKPAVCMJQHW-UHFFFAOYSA-N 1 2 345.805 3.379 20 30 EGEDLO N#Cc1ccnc(NCc2ccc(N3CCCCC3)[nH+]c2)c1Cl ZINC000429216880 268195050 /nfs/dbraw/zinc/19/50/50/268195050.db2.gz ULHJDKYORFFGDZ-UHFFFAOYSA-N 1 2 327.819 3.026 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC=C(c4ccccn4)C3)o2)cc1 ZINC000515185033 268196638 /nfs/dbraw/zinc/19/66/38/268196638.db2.gz RXXDWMAPASBWQQ-UHFFFAOYSA-N 1 2 343.390 3.293 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC=C(c4ccccn4)C3)o2)cc1 ZINC000515185033 268196639 /nfs/dbraw/zinc/19/66/39/268196639.db2.gz RXXDWMAPASBWQQ-UHFFFAOYSA-N 1 2 343.390 3.293 20 30 EGEDLO N#Cc1cccc(OCCCCC(=O)Nc2c[nH+]c3n2CCCC3)c1 ZINC000452337081 268283353 /nfs/dbraw/zinc/28/33/53/268283353.db2.gz YJSNKXKUSOEFEM-UHFFFAOYSA-N 1 2 338.411 3.279 20 30 EGEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)c1 ZINC000271023193 268293808 /nfs/dbraw/zinc/29/38/08/268293808.db2.gz BXOVINGNPQMUBV-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO N#Cc1cnc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c(Cl)c1 ZINC000431585726 268309767 /nfs/dbraw/zinc/30/97/67/268309767.db2.gz NDOXUZNYVVJZQX-UHFFFAOYSA-N 1 2 341.733 3.184 20 30 EGEDLO C[C@H]([NH2+][C@@H](C)c1nccs1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000106241649 275168081 /nfs/dbraw/zinc/16/80/81/275168081.db2.gz NQXHNHAXTPHWGL-UWVGGRQHSA-N 1 2 334.832 3.346 20 30 EGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCSCC2)c1C#N ZINC000103467880 280223688 /nfs/dbraw/zinc/22/36/88/280223688.db2.gz UNRFWJZIISJTDP-UHFFFAOYSA-N 1 2 346.500 3.079 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000360129092 303180792 /nfs/dbraw/zinc/18/07/92/303180792.db2.gz CABDWMKJTNDKGV-UONOGXRCSA-N 1 2 332.753 3.489 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000360129092 303180794 /nfs/dbraw/zinc/18/07/94/303180794.db2.gz CABDWMKJTNDKGV-UONOGXRCSA-N 1 2 332.753 3.489 20 30 EGEDLO COc1c(C)c[nH+]c(CN(C)c2ccc(C#N)cc2[N+](=O)[O-])c1C ZINC000069714046 307375888 /nfs/dbraw/zinc/37/58/88/307375888.db2.gz GBZQFPLBKUCOQX-UHFFFAOYSA-N 1 2 326.356 3.123 20 30 EGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N[C@@H](C)c1ccc(C#N)cc1)CCC2 ZINC000533096913 313871938 /nfs/dbraw/zinc/87/19/38/313871938.db2.gz NTLXPXAZVYQERA-WMLDXEAASA-N 1 2 337.427 3.001 20 30 EGEDLO COC(=O)c1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2OC)c1C#N ZINC000538166907 314230491 /nfs/dbraw/zinc/23/04/91/314230491.db2.gz FFOCHKKUYNMQOD-LBPRGKRZSA-N 1 2 342.370 3.343 20 30 EGEDLO CCc1cc(OCC(=O)NCc2ccc(C#N)cc2)c2ccccc2[nH+]1 ZINC000538853635 314279825 /nfs/dbraw/zinc/27/98/25/314279825.db2.gz SRDXZBWUPYLQJV-UHFFFAOYSA-N 1 2 345.402 3.364 20 30 EGEDLO C[C@H]1C[NH+](CCSc2nc(C(F)(F)F)ccc2C#N)C[C@H](C)O1 ZINC000563439509 316022546 /nfs/dbraw/zinc/02/25/46/316022546.db2.gz LVSKCXLHFOXVAZ-QWRGUYRKSA-N 1 2 345.390 3.173 20 30 EGEDLO Cc1ccc(C#N)cc1NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000571579039 317218876 /nfs/dbraw/zinc/21/88/76/317218876.db2.gz GQXZCDDLGTZJAT-GFCCVEGCSA-N 1 2 336.317 3.275 20 30 EGEDLO C=C(C)CS(=O)(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC000477130249 459033110 /nfs/dbraw/zinc/03/31/10/459033110.db2.gz ZZBGNJSZDRXCIF-INIZCTEOSA-N 1 2 344.908 3.218 20 30 EGEDLO C=CCCOCC(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000620204851 460572612 /nfs/dbraw/zinc/57/26/12/460572612.db2.gz GNMVYSUBMKNDBG-UHFFFAOYSA-N 1 2 325.412 3.418 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1nc2ccccc2s1 ZINC000027404220 453816402 /nfs/dbraw/zinc/81/64/02/453816402.db2.gz WVCKGBYSUXDFOS-ACJLOTCBSA-N 1 2 344.484 3.171 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000027404220 453816404 /nfs/dbraw/zinc/81/64/04/453816404.db2.gz WVCKGBYSUXDFOS-ACJLOTCBSA-N 1 2 344.484 3.171 20 30 EGEDLO N#Cc1ccnc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000029444260 453828949 /nfs/dbraw/zinc/82/89/49/453828949.db2.gz WHVQANSFEZAILT-UHFFFAOYSA-N 1 2 346.356 3.294 20 30 EGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000029857598 453832217 /nfs/dbraw/zinc/83/22/17/453832217.db2.gz IGPCTNFKZBVDKN-UHFFFAOYSA-N 1 2 336.370 3.161 20 30 EGEDLO C=CCOc1ccc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000030295957 453834954 /nfs/dbraw/zinc/83/49/54/453834954.db2.gz PQHZQAQEURBFLR-UHFFFAOYSA-N 1 2 337.423 3.177 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000053228045 453866790 /nfs/dbraw/zinc/86/67/90/453866790.db2.gz NTMOMDOQOFACDP-LJQANCHMSA-N 1 2 346.446 3.007 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000053228045 453866791 /nfs/dbraw/zinc/86/67/91/453866791.db2.gz NTMOMDOQOFACDP-LJQANCHMSA-N 1 2 346.446 3.007 20 30 EGEDLO C=C(C)CN(CC)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000054007058 453905186 /nfs/dbraw/zinc/90/51/86/453905186.db2.gz LDVIKTRTKNSAQX-MRXNPFEDSA-N 1 2 330.407 3.256 20 30 EGEDLO COc1cccc(C[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000075615287 453911034 /nfs/dbraw/zinc/91/10/34/453911034.db2.gz NQDYXANMIJVWSH-UHFFFAOYSA-N 1 2 334.379 3.249 20 30 EGEDLO COc1cccc(C[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000075615287 453911038 /nfs/dbraw/zinc/91/10/38/453911038.db2.gz NQDYXANMIJVWSH-UHFFFAOYSA-N 1 2 334.379 3.249 20 30 EGEDLO CC[N@H+](CCS(=O)(=O)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340739 453923924 /nfs/dbraw/zinc/92/39/24/453923924.db2.gz UVNCCGFQLYCWAL-INIZCTEOSA-N 1 2 342.464 3.415 20 30 EGEDLO CC[N@@H+](CCS(=O)(=O)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340739 453923928 /nfs/dbraw/zinc/92/39/28/453923928.db2.gz UVNCCGFQLYCWAL-INIZCTEOSA-N 1 2 342.464 3.415 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1csc(Br)c1 ZINC000067461168 453932662 /nfs/dbraw/zinc/93/26/62/453932662.db2.gz VNDNXVMRDHINCA-UHFFFAOYSA-N 1 2 345.306 3.367 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1csc(Br)c1 ZINC000067461168 453932666 /nfs/dbraw/zinc/93/26/66/453932666.db2.gz VNDNXVMRDHINCA-UHFFFAOYSA-N 1 2 345.306 3.367 20 30 EGEDLO Cc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000076154123 453972033 /nfs/dbraw/zinc/97/20/33/453972033.db2.gz KKYGLMDWUQIEQK-SFTDATJTSA-N 1 2 347.462 3.383 20 30 EGEDLO Cc1ccccc1CNC(=O)C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000076154123 453972038 /nfs/dbraw/zinc/97/20/38/453972038.db2.gz KKYGLMDWUQIEQK-SFTDATJTSA-N 1 2 347.462 3.383 20 30 EGEDLO N#Cc1cccc(COc2ccc(NC(=O)CCn3cc[nH+]c3)cc2)c1 ZINC000076228379 453981644 /nfs/dbraw/zinc/98/16/44/453981644.db2.gz LZGFNXLNKAVAJX-UHFFFAOYSA-N 1 2 346.390 3.363 20 30 EGEDLO COc1ccccc1[C@H]([NH2+]Cc1cccc(C#N)c1)c1nccn1C ZINC000042204678 454000863 /nfs/dbraw/zinc/00/08/63/454000863.db2.gz LZOFUHZWUZXVNY-IBGZPJMESA-N 1 2 332.407 3.180 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)Nc1ccc(F)c(C#N)c1 ZINC000077500330 454113822 /nfs/dbraw/zinc/11/38/22/454113822.db2.gz NMSIUQBTVQYNLN-UHFFFAOYSA-N 1 2 337.358 3.177 20 30 EGEDLO COCC[N@H+](CCC#N)CCC(=O)Nc1cccc2ccccc21 ZINC000072689283 454327951 /nfs/dbraw/zinc/32/79/51/454327951.db2.gz NXKLLDFYFONHDK-UHFFFAOYSA-N 1 2 325.412 3.030 20 30 EGEDLO COCC[N@@H+](CCC#N)CCC(=O)Nc1cccc2ccccc21 ZINC000072689283 454327954 /nfs/dbraw/zinc/32/79/54/454327954.db2.gz NXKLLDFYFONHDK-UHFFFAOYSA-N 1 2 325.412 3.030 20 30 EGEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2cccc(F)c2C#N)cc1 ZINC000072883646 454357042 /nfs/dbraw/zinc/35/70/42/454357042.db2.gz YEXDVUPSUBZCEG-HXUWFJFHSA-N 1 2 339.414 3.491 20 30 EGEDLO CC(C)CO[C@H](C)C(N)=[NH+]O[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000072921327 454363525 /nfs/dbraw/zinc/36/35/25/454363525.db2.gz RILBCDQPLPTTGL-ZIAGYGMSSA-N 1 2 346.431 3.071 20 30 EGEDLO C=C(Br)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000121047885 454384165 /nfs/dbraw/zinc/38/41/65/454384165.db2.gz LRWAXAGLWROMHD-AWEZNQCLSA-N 1 2 326.234 3.282 20 30 EGEDLO C=C(Br)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000121047885 454384168 /nfs/dbraw/zinc/38/41/68/454384168.db2.gz LRWAXAGLWROMHD-AWEZNQCLSA-N 1 2 326.234 3.282 20 30 EGEDLO C=CC[N@@H+](CC(=O)N(C)Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000063300886 454404023 /nfs/dbraw/zinc/40/40/23/454404023.db2.gz XNPCNTWHHFOMPL-UHFFFAOYSA-N 1 2 333.435 3.205 20 30 EGEDLO C=CC[N@H+](CC(=O)N(C)Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000063300886 454404029 /nfs/dbraw/zinc/40/40/29/454404029.db2.gz XNPCNTWHHFOMPL-UHFFFAOYSA-N 1 2 333.435 3.205 20 30 EGEDLO C[C@@H](O[NH+]=C(N)CCO)c1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000121330904 454421651 /nfs/dbraw/zinc/42/16/51/454421651.db2.gz FWZVECRIOLLBSR-MRVPVSSYSA-N 1 2 344.198 3.381 20 30 EGEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1csc(CC)n1 ZINC000063653233 454433816 /nfs/dbraw/zinc/43/38/16/454433816.db2.gz ZEAPKMFJTQVBEK-QGZVFWFLSA-N 1 2 346.496 3.306 20 30 EGEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)Cc1csc(CC)n1 ZINC000063653233 454433818 /nfs/dbraw/zinc/43/38/18/454433818.db2.gz ZEAPKMFJTQVBEK-QGZVFWFLSA-N 1 2 346.496 3.306 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000133859183 454475413 /nfs/dbraw/zinc/47/54/13/454475413.db2.gz SNGTVLGVMPAYNB-CQSZACIVSA-N 1 2 345.874 3.429 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000133859183 454475417 /nfs/dbraw/zinc/47/54/17/454475417.db2.gz SNGTVLGVMPAYNB-CQSZACIVSA-N 1 2 345.874 3.429 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1Cl ZINC000091926215 454489721 /nfs/dbraw/zinc/48/97/21/454489721.db2.gz ZRFGGHVBYDXOFW-ROUUACIJSA-N 1 2 337.847 3.285 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1Cl ZINC000091926215 454489725 /nfs/dbraw/zinc/48/97/25/454489725.db2.gz ZRFGGHVBYDXOFW-ROUUACIJSA-N 1 2 337.847 3.285 20 30 EGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)OC(C)(C)C2)c1C ZINC000065421537 454563752 /nfs/dbraw/zinc/56/37/52/454563752.db2.gz KJDLKIMAOIGIME-MRXNPFEDSA-N 1 2 343.471 3.049 20 30 EGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)OC(C)(C)C2)c1C ZINC000065421537 454563759 /nfs/dbraw/zinc/56/37/59/454563759.db2.gz KJDLKIMAOIGIME-MRXNPFEDSA-N 1 2 343.471 3.049 20 30 EGEDLO Cc1cc(C)cc(C2=CC[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)c1 ZINC000092427856 454564460 /nfs/dbraw/zinc/56/44/60/454564460.db2.gz JRABUJUBRNNGEN-OAQYLSRUSA-N 1 2 337.467 3.201 20 30 EGEDLO Cc1cc(C)cc(C2=CC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)c1 ZINC000092427856 454564465 /nfs/dbraw/zinc/56/44/65/454564465.db2.gz JRABUJUBRNNGEN-OAQYLSRUSA-N 1 2 337.467 3.201 20 30 EGEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000123452039 454638620 /nfs/dbraw/zinc/63/86/20/454638620.db2.gz PVHZVIFGMPTRNJ-UHFFFAOYSA-N 1 2 338.317 3.489 20 30 EGEDLO Cc1ccc(C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C2CC2)o1 ZINC000051967070 454644168 /nfs/dbraw/zinc/64/41/68/454644168.db2.gz IWESBFDMEXVPST-UHFFFAOYSA-N 1 2 337.423 3.499 20 30 EGEDLO Cc1ccc(C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C2CC2)o1 ZINC000051967070 454644170 /nfs/dbraw/zinc/64/41/70/454644170.db2.gz IWESBFDMEXVPST-UHFFFAOYSA-N 1 2 337.423 3.499 20 30 EGEDLO N#Cc1ccsc1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000052034467 454650657 /nfs/dbraw/zinc/65/06/57/454650657.db2.gz RNCRDMVYGRDUSJ-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO N#Cc1ccsc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000052034467 454650660 /nfs/dbraw/zinc/65/06/60/454650660.db2.gz RNCRDMVYGRDUSJ-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000093021826 454672901 /nfs/dbraw/zinc/67/29/01/454672901.db2.gz QVLZJOIHKFVVBM-UHFFFAOYSA-N 1 2 336.439 3.456 20 30 EGEDLO COc1ccc(C[N@@H+]2CCOCC23CCC3)cc1OCCCC#N ZINC000093510617 454719302 /nfs/dbraw/zinc/71/93/02/454719302.db2.gz GJFICTYZTNHPBU-UHFFFAOYSA-N 1 2 330.428 3.133 20 30 EGEDLO COc1ccc(C[N@H+]2CCOCC23CCC3)cc1OCCCC#N ZINC000093510617 454719305 /nfs/dbraw/zinc/71/93/05/454719305.db2.gz GJFICTYZTNHPBU-UHFFFAOYSA-N 1 2 330.428 3.133 20 30 EGEDLO C=CCc1cc(C[N@@H+]2CCO[C@H](c3ccco3)C2)cc(OC)c1O ZINC000093841401 454739161 /nfs/dbraw/zinc/73/91/61/454739161.db2.gz DFXNHWYPCGUWEQ-SFHVURJKSA-N 1 2 329.396 3.296 20 30 EGEDLO C=CCc1cc(C[N@H+]2CCO[C@H](c3ccco3)C2)cc(OC)c1O ZINC000093841401 454739165 /nfs/dbraw/zinc/73/91/65/454739165.db2.gz DFXNHWYPCGUWEQ-SFHVURJKSA-N 1 2 329.396 3.296 20 30 EGEDLO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000109791591 454837083 /nfs/dbraw/zinc/83/70/83/454837083.db2.gz BIUCRVKLSATMRY-QGZVFWFLSA-N 1 2 342.418 3.045 20 30 EGEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000109791591 454837085 /nfs/dbraw/zinc/83/70/85/454837085.db2.gz BIUCRVKLSATMRY-QGZVFWFLSA-N 1 2 342.418 3.045 20 30 EGEDLO C[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)[N@H+](C)Cc1ccccc1 ZINC000110129347 454841947 /nfs/dbraw/zinc/84/19/47/454841947.db2.gz CGMLVTFSKCSOSW-ONDHQXCVSA-N 1 2 327.384 3.240 20 30 EGEDLO C[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)[N@@H+](C)Cc1ccccc1 ZINC000110129347 454841949 /nfs/dbraw/zinc/84/19/49/454841949.db2.gz CGMLVTFSKCSOSW-ONDHQXCVSA-N 1 2 327.384 3.240 20 30 EGEDLO C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)C(C)(C)C#N)c1 ZINC000110493283 454847071 /nfs/dbraw/zinc/84/70/71/454847071.db2.gz NVTXYLFBAHHSNB-UHFFFAOYSA-N 1 2 328.441 3.263 20 30 EGEDLO C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)C(C)(C)C#N)c1 ZINC000110493283 454847074 /nfs/dbraw/zinc/84/70/74/454847074.db2.gz NVTXYLFBAHHSNB-UHFFFAOYSA-N 1 2 328.441 3.263 20 30 EGEDLO N#Cc1csc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000177409359 454861727 /nfs/dbraw/zinc/86/17/27/454861727.db2.gz JZSHEIJTAKDZSO-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO N#Cc1csc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000177409359 454861729 /nfs/dbraw/zinc/86/17/29/454861729.db2.gz JZSHEIJTAKDZSO-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO C=CC1CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000111458831 454865869 /nfs/dbraw/zinc/86/58/69/454865869.db2.gz NSUPQFHAYVCDKE-UHFFFAOYSA-N 1 2 328.460 3.180 20 30 EGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCSC(C)(C)C1 ZINC000177512101 454872237 /nfs/dbraw/zinc/87/22/37/454872237.db2.gz DMXOGSOXWODWNK-LLVKDONJSA-N 1 2 349.525 3.263 20 30 EGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCSC(C)(C)C1 ZINC000177512101 454872240 /nfs/dbraw/zinc/87/22/40/454872240.db2.gz DMXOGSOXWODWNK-LLVKDONJSA-N 1 2 349.525 3.263 20 30 EGEDLO N#CCCCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000178377896 454953012 /nfs/dbraw/zinc/95/30/12/454953012.db2.gz CLBCUVGBULOZJO-MSOLQXFVSA-N 1 2 337.427 3.105 20 30 EGEDLO N#CCC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000178389911 454953713 /nfs/dbraw/zinc/95/37/13/454953713.db2.gz SUHBJFWEBQAKKN-UHFFFAOYSA-N 1 2 340.383 3.175 20 30 EGEDLO N#CCC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000178389911 454953717 /nfs/dbraw/zinc/95/37/17/454953717.db2.gz SUHBJFWEBQAKKN-UHFFFAOYSA-N 1 2 340.383 3.175 20 30 EGEDLO Cc1c(C#N)cccc1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000178582398 454962631 /nfs/dbraw/zinc/96/26/31/454962631.db2.gz OSRRCZHLVRCWQA-OAHLLOKOSA-N 1 2 337.427 3.087 20 30 EGEDLO COc1ccc([C@H]2CC[N@H+](CC(=O)Nc3sccc3C#N)C2)cc1 ZINC000155256804 454980174 /nfs/dbraw/zinc/98/01/74/454980174.db2.gz AKVPAIDLFPDWTF-HNNXBMFYSA-N 1 2 341.436 3.056 20 30 EGEDLO COc1ccc([C@H]2CC[N@@H+](CC(=O)Nc3sccc3C#N)C2)cc1 ZINC000155256804 454980177 /nfs/dbraw/zinc/98/01/77/454980177.db2.gz AKVPAIDLFPDWTF-HNNXBMFYSA-N 1 2 341.436 3.056 20 30 EGEDLO N#Cc1ccc([C@H]([NH2+][C@H]2CCSc3c(F)cccc32)C(N)=O)cc1 ZINC000115595920 455022888 /nfs/dbraw/zinc/02/28/88/455022888.db2.gz CDYJGXBFCXDHNY-HOTGVXAUSA-N 1 2 341.411 3.050 20 30 EGEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCCCCC#N)C[C@H](C)O1 ZINC000171374390 455065769 /nfs/dbraw/zinc/06/57/69/455065769.db2.gz SAXWENZTVQHITI-HOTGVXAUSA-N 1 2 344.459 3.111 20 30 EGEDLO N#Cc1csc(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)c1 ZINC000129019523 455095064 /nfs/dbraw/zinc/09/50/64/455095064.db2.gz UBAWNRNEYOHCPD-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO N#Cc1csc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)c1 ZINC000129019523 455095067 /nfs/dbraw/zinc/09/50/67/455095067.db2.gz UBAWNRNEYOHCPD-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1N1CCCC1 ZINC000172999725 455218623 /nfs/dbraw/zinc/21/86/23/455218623.db2.gz KMPHSNONGCRNNA-UHFFFAOYSA-N 1 2 348.450 3.229 20 30 EGEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1N1CCCC1 ZINC000172999725 455218628 /nfs/dbraw/zinc/21/86/28/455218628.db2.gz KMPHSNONGCRNNA-UHFFFAOYSA-N 1 2 348.450 3.229 20 30 EGEDLO C[C@H](C#N)C[N@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000264762622 455277852 /nfs/dbraw/zinc/27/78/52/455277852.db2.gz ZGHNAJCWWGQUPQ-VXGBXAGGSA-N 1 2 343.500 3.032 20 30 EGEDLO C[C@H](C#N)C[N@@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000264762622 455277855 /nfs/dbraw/zinc/27/78/55/455277855.db2.gz ZGHNAJCWWGQUPQ-VXGBXAGGSA-N 1 2 343.500 3.032 20 30 EGEDLO COCCOc1ccc(C#N)cc1NCc1c[nH+]c2c(C)cccn12 ZINC000184328364 455371385 /nfs/dbraw/zinc/37/13/85/455371385.db2.gz GFJIJVRBOPHRJN-UHFFFAOYSA-N 1 2 336.395 3.152 20 30 EGEDLO C#CC[N@@H+](CC)Cc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000266936491 455478433 /nfs/dbraw/zinc/47/84/33/455478433.db2.gz PXJVWLNGYNLTJU-UHFFFAOYSA-N 1 2 327.453 3.088 20 30 EGEDLO C#CC[N@H+](CC)Cc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000266936491 455478436 /nfs/dbraw/zinc/47/84/36/455478436.db2.gz PXJVWLNGYNLTJU-UHFFFAOYSA-N 1 2 327.453 3.088 20 30 EGEDLO O=C(c1ccccc1F)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000191892261 455528401 /nfs/dbraw/zinc/52/84/01/455528401.db2.gz OAWBUCYWQGOHNN-UHFFFAOYSA-N 1 2 336.410 3.025 20 30 EGEDLO O=C(c1ccccc1F)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000191892261 455528402 /nfs/dbraw/zinc/52/84/02/455528402.db2.gz OAWBUCYWQGOHNN-UHFFFAOYSA-N 1 2 336.410 3.025 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1Cl ZINC000247301216 455585212 /nfs/dbraw/zinc/58/52/12/455585212.db2.gz ZRFGGHVBYDXOFW-QZTJIDSGSA-N 1 2 337.847 3.285 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1Cl ZINC000247301216 455585214 /nfs/dbraw/zinc/58/52/14/455585214.db2.gz ZRFGGHVBYDXOFW-QZTJIDSGSA-N 1 2 337.847 3.285 20 30 EGEDLO NC(=[NH+]OCc1nc(-c2ccccc2Cl)cs1)[C@H]1CCCO1 ZINC000283891279 455609564 /nfs/dbraw/zinc/60/95/64/455609564.db2.gz CZJBHFGCFJVXFO-CYBMUJFWSA-N 1 2 337.832 3.431 20 30 EGEDLO CC[C@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000185789511 455622946 /nfs/dbraw/zinc/62/29/46/455622946.db2.gz BWCLFZNBZHAZRN-INIZCTEOSA-N 1 2 325.437 3.395 20 30 EGEDLO CC[C@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1sccc1C#N ZINC000185789511 455622948 /nfs/dbraw/zinc/62/29/48/455622948.db2.gz BWCLFZNBZHAZRN-INIZCTEOSA-N 1 2 325.437 3.395 20 30 EGEDLO C=CCN(C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1)C1CC1 ZINC000271455941 455643290 /nfs/dbraw/zinc/64/32/90/455643290.db2.gz OYEVUPCQNPIEHV-INIZCTEOSA-N 1 2 328.391 3.009 20 30 EGEDLO CC(C)CC[N@H+](CCC#N)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192610890 455653328 /nfs/dbraw/zinc/65/33/28/455653328.db2.gz LEJQIRDGZMPHEF-LJQANCHMSA-N 1 2 338.455 3.315 20 30 EGEDLO CC(C)CC[N@@H+](CCC#N)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192610890 455653330 /nfs/dbraw/zinc/65/33/30/455653330.db2.gz LEJQIRDGZMPHEF-LJQANCHMSA-N 1 2 338.455 3.315 20 30 EGEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+](Cc3ccccn3)C3CC3)C2=O)cc1 ZINC000192719616 455676762 /nfs/dbraw/zinc/67/67/62/455676762.db2.gz VVWYFXNRUJOTPI-HXUWFJFHSA-N 1 2 346.434 3.113 20 30 EGEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+](Cc3ccccn3)C3CC3)C2=O)cc1 ZINC000192719616 455676771 /nfs/dbraw/zinc/67/67/71/455676771.db2.gz VVWYFXNRUJOTPI-HXUWFJFHSA-N 1 2 346.434 3.113 20 30 EGEDLO NC(=[NH+]OCc1nc(-c2c(F)cccc2F)cs1)[C@H]1CCCO1 ZINC000284469521 455691997 /nfs/dbraw/zinc/69/19/97/455691997.db2.gz REWJSFMGVTUPLM-GFCCVEGCSA-N 1 2 339.367 3.056 20 30 EGEDLO C[C@H](c1cccnc1)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000277886683 455697802 /nfs/dbraw/zinc/69/78/02/455697802.db2.gz VTKMTARDOWVENY-CQSZACIVSA-N 1 2 326.831 3.490 20 30 EGEDLO C=CCC[C@@H](O)C[N@@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000186206412 455716730 /nfs/dbraw/zinc/71/67/30/455716730.db2.gz ZGFHJAMKYVYBCW-LLVKDONJSA-N 1 2 328.225 3.273 20 30 EGEDLO C=CCC[C@@H](O)C[N@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000186206412 455716733 /nfs/dbraw/zinc/71/67/33/455716733.db2.gz ZGFHJAMKYVYBCW-LLVKDONJSA-N 1 2 328.225 3.273 20 30 EGEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000248530299 455718630 /nfs/dbraw/zinc/71/86/30/455718630.db2.gz MTBREIHISOBOJS-FUHWJXTLSA-N 1 2 331.847 3.285 20 30 EGEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000248530299 455718632 /nfs/dbraw/zinc/71/86/32/455718632.db2.gz MTBREIHISOBOJS-FUHWJXTLSA-N 1 2 331.847 3.285 20 30 EGEDLO COc1cc(CN(C)[C@H](C)CC#N)cc(C[N@H+](C)[C@H](C)CC#N)c1 ZINC000292681077 455729989 /nfs/dbraw/zinc/72/99/89/455729989.db2.gz RCEAUNIXZXXCJI-HZPDHXFCSA-N 1 2 328.460 3.163 20 30 EGEDLO COc1cc(CN(C)[C@H](C)CC#N)cc(C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000292681077 455729995 /nfs/dbraw/zinc/72/99/95/455729995.db2.gz RCEAUNIXZXXCJI-HZPDHXFCSA-N 1 2 328.460 3.163 20 30 EGEDLO N#CCCCC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284777964 455739357 /nfs/dbraw/zinc/73/93/57/455739357.db2.gz NCZYMJMMGNMENV-UHFFFAOYSA-N 1 2 338.205 3.409 20 30 EGEDLO N#CCCCC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284777964 455739361 /nfs/dbraw/zinc/73/93/61/455739361.db2.gz NCZYMJMMGNMENV-UHFFFAOYSA-N 1 2 338.205 3.409 20 30 EGEDLO C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1c(F)cccc1F ZINC000271743806 455741908 /nfs/dbraw/zinc/74/19/08/455741908.db2.gz JBOVPBOXNUBTKS-ZDUSSCGKSA-N 1 2 335.398 3.300 20 30 EGEDLO C#CC[N@@H+](Cc1nnc(-c2ccccc2Br)o1)C1CC1 ZINC000271960548 455806250 /nfs/dbraw/zinc/80/62/50/455806250.db2.gz UHQYKWFEYBYRMU-UHFFFAOYSA-N 1 2 332.201 3.097 20 30 EGEDLO C#CC[N@H+](Cc1nnc(-c2ccccc2Br)o1)C1CC1 ZINC000271960548 455806255 /nfs/dbraw/zinc/80/62/55/455806255.db2.gz UHQYKWFEYBYRMU-UHFFFAOYSA-N 1 2 332.201 3.097 20 30 EGEDLO CC(=O)c1cccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c1 ZINC000294853948 455829982 /nfs/dbraw/zinc/82/99/82/455829982.db2.gz CLJNOBCDMKTXBP-OAQYLSRUSA-N 1 2 333.435 3.272 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000278474795 455837815 /nfs/dbraw/zinc/83/78/15/455837815.db2.gz JBVQYBWBJQLDPN-HNNXBMFYSA-N 1 2 330.819 3.219 20 30 EGEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000278543912 455840096 /nfs/dbraw/zinc/84/00/96/455840096.db2.gz GQHIMZOXFVQOTC-YPMHNXCESA-N 1 2 325.243 3.203 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1cccc(C#N)c1 ZINC000269454727 455848427 /nfs/dbraw/zinc/84/84/27/455848427.db2.gz GWWZDSFQIHOFKE-UHFFFAOYSA-N 1 2 348.406 3.267 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1cccc(C#N)c1 ZINC000269454727 455848432 /nfs/dbraw/zinc/84/84/32/455848432.db2.gz GWWZDSFQIHOFKE-UHFFFAOYSA-N 1 2 348.406 3.267 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000278849171 455850199 /nfs/dbraw/zinc/85/01/99/455850199.db2.gz FMHOUYKYZHUPFP-WDEREUQCSA-N 1 2 347.406 3.402 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(=O)oc3cc(CC)ccc23)n1 ZINC000279668564 455870362 /nfs/dbraw/zinc/87/03/62/455870362.db2.gz DXEFAYLKOCAQQQ-UHFFFAOYSA-N 1 2 349.434 3.207 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(=O)oc3cc(CC)ccc23)n1 ZINC000279668564 455870366 /nfs/dbraw/zinc/87/03/66/455870366.db2.gz DXEFAYLKOCAQQQ-UHFFFAOYSA-N 1 2 349.434 3.207 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)Nc2ccc(Cl)cc2)n1 ZINC000279662485 455870609 /nfs/dbraw/zinc/87/06/09/455870609.db2.gz CZYAKNNZCRIFNL-AWEZNQCLSA-N 1 2 344.846 3.019 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)Nc2ccc(Cl)cc2)n1 ZINC000279662485 455870613 /nfs/dbraw/zinc/87/06/13/455870613.db2.gz CZYAKNNZCRIFNL-AWEZNQCLSA-N 1 2 344.846 3.019 20 30 EGEDLO C=C(C)[C@@H](CC(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C)OCC ZINC000270086567 455874426 /nfs/dbraw/zinc/87/44/26/455874426.db2.gz WIDQRQCJQAFJGZ-LJQANCHMSA-N 1 2 346.471 3.137 20 30 EGEDLO C=CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2)cc1OC ZINC000194821918 455887187 /nfs/dbraw/zinc/88/71/87/455887187.db2.gz RKUUURYLWVBVRS-UHFFFAOYSA-N 1 2 340.423 3.331 20 30 EGEDLO C=CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2)cc1OC ZINC000194821918 455887188 /nfs/dbraw/zinc/88/71/88/455887188.db2.gz RKUUURYLWVBVRS-UHFFFAOYSA-N 1 2 340.423 3.331 20 30 EGEDLO N#CCc1ccc(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000270202095 455900913 /nfs/dbraw/zinc/90/09/13/455900913.db2.gz CMCTVJLGAJUGNB-UHFFFAOYSA-N 1 2 334.423 3.068 20 30 EGEDLO C=CC[C@H](C)NC(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270231152 455907990 /nfs/dbraw/zinc/90/79/90/455907990.db2.gz NXTZSNVTYCMATO-GOEBONIOSA-N 1 2 326.444 3.483 20 30 EGEDLO C=C(C)[C@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccc(F)c(F)c1 ZINC000187758571 455948943 /nfs/dbraw/zinc/94/89/43/455948943.db2.gz YQRFSUBRRZKNKL-SFHVURJKSA-N 1 2 341.365 3.348 20 30 EGEDLO CSc1ccccc1C[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000280362448 455955805 /nfs/dbraw/zinc/95/58/05/455955805.db2.gz IYMFTGOHILFHLM-UHFFFAOYSA-N 1 2 331.466 3.412 20 30 EGEDLO CSc1ccccc1C[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000280362448 455955809 /nfs/dbraw/zinc/95/58/09/455955809.db2.gz IYMFTGOHILFHLM-UHFFFAOYSA-N 1 2 331.466 3.412 20 30 EGEDLO CCCC[C@H](ON=C(C)C)C(=O)NCCCCNc1cccc[nH+]1 ZINC000272626534 456018433 /nfs/dbraw/zinc/01/84/33/456018433.db2.gz STDRQWNVQLVIMY-INIZCTEOSA-N 1 2 334.464 3.361 20 30 EGEDLO N#Cc1cccc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000210079413 456020890 /nfs/dbraw/zinc/02/08/90/456020890.db2.gz VUGWEISEGOTARS-UITAMQMPSA-N 1 2 331.419 3.029 20 30 EGEDLO CC(C)(C#N)c1ccc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000280938956 456087913 /nfs/dbraw/zinc/08/79/13/456087913.db2.gz QSQYRPCZBBFCSA-UHFFFAOYSA-N 1 2 348.450 3.413 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(-c2ccccc2F)o1)[C@H]1CCS(=O)(=O)C1 ZINC000271115505 456130595 /nfs/dbraw/zinc/13/05/95/456130595.db2.gz DGLBCXDJOBTAIG-AWEZNQCLSA-N 1 2 349.427 3.261 20 30 EGEDLO C=CC[N@H+](Cc1ccc(-c2ccccc2F)o1)[C@H]1CCS(=O)(=O)C1 ZINC000271115505 456130603 /nfs/dbraw/zinc/13/06/03/456130603.db2.gz DGLBCXDJOBTAIG-AWEZNQCLSA-N 1 2 349.427 3.261 20 30 EGEDLO Cc1ccc2[nH+]c(COc3cccc(C(=O)NCCCC#N)c3)cn2c1 ZINC000273060831 456163318 /nfs/dbraw/zinc/16/33/18/456163318.db2.gz SQFWEKPNFCIJRQ-UHFFFAOYSA-N 1 2 348.406 3.255 20 30 EGEDLO C[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc(Cl)c(F)c1 ZINC000342871669 456285610 /nfs/dbraw/zinc/28/56/10/456285610.db2.gz IQCGTLXGBDXUFP-UHFFFAOYSA-N 1 2 345.805 3.099 20 30 EGEDLO C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc(Cl)c(F)c1 ZINC000342871669 456285615 /nfs/dbraw/zinc/28/56/15/456285615.db2.gz IQCGTLXGBDXUFP-UHFFFAOYSA-N 1 2 345.805 3.099 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(C#N)cc1OC ZINC000352797748 456318216 /nfs/dbraw/zinc/31/82/16/456318216.db2.gz BTEVEQHSKOCPCO-UHFFFAOYSA-N 1 2 326.396 3.230 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C#N)cc1OC ZINC000352797748 456318222 /nfs/dbraw/zinc/31/82/22/456318222.db2.gz BTEVEQHSKOCPCO-UHFFFAOYSA-N 1 2 326.396 3.230 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(C(=O)OCC)o1 ZINC000352805132 456324147 /nfs/dbraw/zinc/32/41/47/456324147.db2.gz RCPIZUGGYUHMBN-UHFFFAOYSA-N 1 2 333.384 3.120 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C(=O)OCC)o1 ZINC000352805132 456324149 /nfs/dbraw/zinc/32/41/49/456324149.db2.gz RCPIZUGGYUHMBN-UHFFFAOYSA-N 1 2 333.384 3.120 20 30 EGEDLO C=CCN1CC[C@H]([N@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)C1=O ZINC000337189815 456337050 /nfs/dbraw/zinc/33/70/50/456337050.db2.gz RJOOQBAKCJQJLW-JKSUJKDBSA-N 1 2 336.888 3.217 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)C1=O ZINC000337189815 456337053 /nfs/dbraw/zinc/33/70/53/456337053.db2.gz RJOOQBAKCJQJLW-JKSUJKDBSA-N 1 2 336.888 3.217 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ncc(-c3ccccc3)s2)C1=O ZINC000337226110 456339763 /nfs/dbraw/zinc/33/97/63/456339763.db2.gz PAAKCICTEVXIGC-OAHLLOKOSA-N 1 2 327.453 3.029 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ncc(-c3ccccc3)s2)C1=O ZINC000337226110 456339771 /nfs/dbraw/zinc/33/97/71/456339771.db2.gz PAAKCICTEVXIGC-OAHLLOKOSA-N 1 2 327.453 3.029 20 30 EGEDLO C=CCOc1ccccc1C[NH2+]Cc1cc(S(C)(=O)=O)ccc1F ZINC000337255754 456342057 /nfs/dbraw/zinc/34/20/57/456342057.db2.gz MZDWBCPBEFLPBK-UHFFFAOYSA-N 1 2 349.427 3.084 20 30 EGEDLO C=CCOc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)cc1 ZINC000337566219 456386116 /nfs/dbraw/zinc/38/61/16/456386116.db2.gz BKOAUCMYVYZKRR-LJQANCHMSA-N 1 2 340.398 3.177 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N1CCCCC1 ZINC000352912505 456407590 /nfs/dbraw/zinc/40/75/90/456407590.db2.gz DXLZUKCOMFGNBO-QGZVFWFLSA-N 1 2 332.492 3.243 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N1CCCCC1 ZINC000352912505 456407597 /nfs/dbraw/zinc/40/75/97/456407597.db2.gz DXLZUKCOMFGNBO-QGZVFWFLSA-N 1 2 332.492 3.243 20 30 EGEDLO Cc1ccc([C@H](CNc2c(C#N)cccc2C#N)[NH+]2CCOCC2)cc1 ZINC000302864301 456420542 /nfs/dbraw/zinc/42/05/42/456420542.db2.gz XMRXZJWCORUREI-FQEVSTJZSA-N 1 2 346.434 3.224 20 30 EGEDLO N#Cc1c(CN2CC[NH+](Cc3cccc(F)c3)CC2)cn2ccccc12 ZINC000348068910 456453921 /nfs/dbraw/zinc/45/39/21/456453921.db2.gz HSHKPHRAQQGSIR-UHFFFAOYSA-N 1 2 348.425 3.268 20 30 EGEDLO C=CCC1(NC(=O)NCCc2cn3cccc(C)c3[nH+]2)CCCC1 ZINC000664291533 462007768 /nfs/dbraw/zinc/00/77/68/462007768.db2.gz GNNHPQOCADHJJS-UHFFFAOYSA-N 1 2 326.444 3.373 20 30 EGEDLO N#CCc1cccc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000298671557 456512272 /nfs/dbraw/zinc/51/22/72/456512272.db2.gz SYVFYBGBPQCEDW-UHFFFAOYSA-N 1 2 334.423 3.068 20 30 EGEDLO N#Cc1cc(N(C#N)Cc2[nH+]ccn2Cc2ccccc2)ccc1F ZINC000337759603 456529052 /nfs/dbraw/zinc/52/90/52/456529052.db2.gz OAZQBQUSBSUYRD-UHFFFAOYSA-N 1 2 331.354 3.430 20 30 EGEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2Br)C[C@H](C2CC2)O1 ZINC000348231988 456553207 /nfs/dbraw/zinc/55/32/07/456553207.db2.gz IPTTYFMOGMQNJR-MEDUHNTESA-N 1 2 335.245 3.320 20 30 EGEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)C[C@H](C2CC2)O1 ZINC000348231988 456553211 /nfs/dbraw/zinc/55/32/11/456553211.db2.gz IPTTYFMOGMQNJR-MEDUHNTESA-N 1 2 335.245 3.320 20 30 EGEDLO CCc1nocc1C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000353258665 456591877 /nfs/dbraw/zinc/59/18/77/456591877.db2.gz MHGVMCIYHZFUQL-SFHVURJKSA-N 1 2 344.846 3.273 20 30 EGEDLO Cc1nc(C2([NH2+]CCOc3cccc(C#N)c3)CCCCC2)no1 ZINC000299251732 456641629 /nfs/dbraw/zinc/64/16/29/456641629.db2.gz BXBORIPCEPRXSS-UHFFFAOYSA-N 1 2 326.400 3.078 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000299290558 456650203 /nfs/dbraw/zinc/65/02/03/456650203.db2.gz GGXMITDZHXJEPY-XJKSGUPXSA-N 1 2 347.846 3.260 20 30 EGEDLO Cc1c(Cl)cnc(N2CC[NH+](Cc3cccc(F)c3)CC2)c1C#N ZINC000343482195 456650282 /nfs/dbraw/zinc/65/02/82/456650282.db2.gz VJDUTWLAWKCUIL-UHFFFAOYSA-N 1 2 344.821 3.376 20 30 EGEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2nccc(C)c2C#N)cc1 ZINC000343503154 456664000 /nfs/dbraw/zinc/66/40/00/456664000.db2.gz ALTRVUPAMAAGHF-LJQANCHMSA-N 1 2 336.439 3.056 20 30 EGEDLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(CCC#N)CC1 ZINC000340758935 456671647 /nfs/dbraw/zinc/67/16/47/456671647.db2.gz QXRWCXCFSOZXMC-MRXNPFEDSA-N 1 2 336.277 3.431 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2nc(C(C)(C)C)cs2)C1 ZINC000328769436 456756795 /nfs/dbraw/zinc/75/67/95/456756795.db2.gz IMYDSIVUADOZNF-LLVKDONJSA-N 1 2 333.461 3.209 20 30 EGEDLO O=C(N[C@@H]1C[C@H]1C1CCCCC1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000328780008 456758885 /nfs/dbraw/zinc/75/88/85/456758885.db2.gz GWXZNTATGRCHDG-IXDOHACOSA-N 1 2 328.460 3.133 20 30 EGEDLO CC(C)(C)SCCO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000283332275 456760401 /nfs/dbraw/zinc/76/04/01/456760401.db2.gz JOHNPYHTCADSSV-UHFFFAOYSA-N 1 2 336.505 3.241 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H](C)c1c(C)nn(C)c1C)CCC2 ZINC000328843551 456773525 /nfs/dbraw/zinc/77/35/25/456773525.db2.gz UYVLGDCJSMVFAM-DOMZBBRYSA-N 1 2 329.448 3.179 20 30 EGEDLO C=CCn1c(SCc2c[nH+]ccc2OC)nc2ccccc2c1=O ZINC000343826087 456775107 /nfs/dbraw/zinc/77/51/07/456775107.db2.gz AQORHPKTMINTJO-UHFFFAOYSA-N 1 2 339.420 3.278 20 30 EGEDLO N#CCCC[NH+]1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000338354317 456783437 /nfs/dbraw/zinc/78/34/37/456783437.db2.gz JUHCFOZMQNBMRP-UHFFFAOYSA-N 1 2 340.349 3.159 20 30 EGEDLO O=C(CC1CCCCCC1)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000328905944 456788063 /nfs/dbraw/zinc/78/80/63/456788063.db2.gz BDDULUCMCPTQHQ-UHFFFAOYSA-N 1 2 349.519 3.248 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccc(OC)c1OC ZINC000348638279 456793465 /nfs/dbraw/zinc/79/34/65/456793465.db2.gz VUSVZSARPPNFAM-UHFFFAOYSA-N 1 2 331.412 3.367 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc(OC)c1OC ZINC000348638279 456793467 /nfs/dbraw/zinc/79/34/67/456793467.db2.gz VUSVZSARPPNFAM-UHFFFAOYSA-N 1 2 331.412 3.367 20 30 EGEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)Nc1scnc1C1CC1 ZINC000328955051 456800162 /nfs/dbraw/zinc/80/01/62/456800162.db2.gz YRZGLJTYDPVBPC-UHFFFAOYSA-N 1 2 331.445 3.122 20 30 EGEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000277387618 456804662 /nfs/dbraw/zinc/80/46/62/456804662.db2.gz YPLGIYXYIDBIOC-LBPRGKRZSA-N 1 2 346.356 3.254 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)CCC1CCOCC1)C1CCOCC1 ZINC000328989822 456808617 /nfs/dbraw/zinc/80/86/17/456808617.db2.gz FFNGNSQAAGBWHJ-QGZVFWFLSA-N 1 2 335.448 3.051 20 30 EGEDLO Cc1noc([C@@H]2CC[N@H+](CC(=O)Nc3ccc(F)c(Cl)c3)C2)n1 ZINC000329011021 456813231 /nfs/dbraw/zinc/81/32/31/456813231.db2.gz DPEIYDTXAOPFAA-SNVBAGLBSA-N 1 2 338.770 3.248 20 30 EGEDLO Cc1noc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(F)c(Cl)c3)C2)n1 ZINC000329011021 456813234 /nfs/dbraw/zinc/81/32/34/456813234.db2.gz DPEIYDTXAOPFAA-SNVBAGLBSA-N 1 2 338.770 3.248 20 30 EGEDLO Cc1noc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(F)cc3F)C2)n1 ZINC000329013864 456814440 /nfs/dbraw/zinc/81/44/40/456814440.db2.gz FNRILIPSQGKGIG-GXSJLCMTSA-N 1 2 336.342 3.122 20 30 EGEDLO Cc1noc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(F)cc3F)C2)n1 ZINC000329013864 456814443 /nfs/dbraw/zinc/81/44/43/456814443.db2.gz FNRILIPSQGKGIG-GXSJLCMTSA-N 1 2 336.342 3.122 20 30 EGEDLO Cc1noc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cc(F)ccc3F)C2)n1 ZINC000329021246 456815082 /nfs/dbraw/zinc/81/50/82/456815082.db2.gz HXRMNVPGBLLHGN-GXSJLCMTSA-N 1 2 336.342 3.122 20 30 EGEDLO Cc1noc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cc(F)ccc3F)C2)n1 ZINC000329021246 456815090 /nfs/dbraw/zinc/81/50/90/456815090.db2.gz HXRMNVPGBLLHGN-GXSJLCMTSA-N 1 2 336.342 3.122 20 30 EGEDLO N#CC1(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CCCCC1 ZINC000341235542 456823664 /nfs/dbraw/zinc/82/36/64/456823664.db2.gz GJYZIOHJWXSILC-UHFFFAOYSA-N 1 2 328.460 3.376 20 30 EGEDLO Cc1noc([C@H]2CC[N@H+](CC(=O)Nc3c(C)cccc3Cl)C2)n1 ZINC000329061382 456825610 /nfs/dbraw/zinc/82/56/10/456825610.db2.gz UURZLDCYMQGVIW-LBPRGKRZSA-N 1 2 334.807 3.417 20 30 EGEDLO Cc1noc([C@H]2CC[N@@H+](CC(=O)Nc3c(C)cccc3Cl)C2)n1 ZINC000329061382 456825618 /nfs/dbraw/zinc/82/56/18/456825618.db2.gz UURZLDCYMQGVIW-LBPRGKRZSA-N 1 2 334.807 3.417 20 30 EGEDLO Cc1noc([C@@H]2CC[N@H+](CC(=O)Nc3cc(Cl)ccc3F)C2)n1 ZINC000329070979 456827149 /nfs/dbraw/zinc/82/71/49/456827149.db2.gz YSFIMDFUWOYVNK-SNVBAGLBSA-N 1 2 338.770 3.248 20 30 EGEDLO Cc1noc([C@@H]2CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3F)C2)n1 ZINC000329070979 456827153 /nfs/dbraw/zinc/82/71/53/456827153.db2.gz YSFIMDFUWOYVNK-SNVBAGLBSA-N 1 2 338.770 3.248 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1csc(C2CC2)n1)C1CCOCC1 ZINC000329101183 456835254 /nfs/dbraw/zinc/83/52/54/456835254.db2.gz ZPZCVEAYHWJPMO-CQSZACIVSA-N 1 2 346.456 3.227 20 30 EGEDLO Cc1ccc2c(c1C)OC[C@@H]2NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329239302 456858892 /nfs/dbraw/zinc/85/88/92/456858892.db2.gz LVTIMLSLFIPLEE-ROUUACIJSA-N 1 2 344.455 3.337 20 30 EGEDLO Cc1ccc2c(c1C)OC[C@@H]2NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329239302 456858895 /nfs/dbraw/zinc/85/88/95/456858895.db2.gz LVTIMLSLFIPLEE-ROUUACIJSA-N 1 2 344.455 3.337 20 30 EGEDLO O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)[C@H]1CCCCS1 ZINC000329326137 456872588 /nfs/dbraw/zinc/87/25/88/456872588.db2.gz JEFSVCHOWWHESP-OAHLLOKOSA-N 1 2 346.456 3.273 20 30 EGEDLO C=C(C)COc1cc(CNc2ccc(N(C)C)c[nH+]2)ccc1OC ZINC000344961314 456879254 /nfs/dbraw/zinc/87/92/54/456879254.db2.gz FNFLMNDRUWLETF-UHFFFAOYSA-N 1 2 327.428 3.145 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C(=O)OC)[nH]1 ZINC000348877661 456885657 /nfs/dbraw/zinc/88/56/57/456885657.db2.gz PMITVCXZVLQKGL-UHFFFAOYSA-N 1 2 330.432 3.157 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C(=O)OC)[nH]1 ZINC000348877661 456885659 /nfs/dbraw/zinc/88/56/59/456885659.db2.gz PMITVCXZVLQKGL-UHFFFAOYSA-N 1 2 330.432 3.157 20 30 EGEDLO [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+][C@@H]1CCCCC12CCCC2 ZINC000329606899 456915038 /nfs/dbraw/zinc/91/50/38/456915038.db2.gz IEZCLQFQPPQQCR-JKSUJKDBSA-N 1 2 330.476 3.452 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccon2)c1 ZINC000349254507 456925427 /nfs/dbraw/zinc/92/54/27/456925427.db2.gz YMYDOXHXNIIRSF-JKSUJKDBSA-N 1 2 340.427 3.277 20 30 EGEDLO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH+]=C([O-])N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329727693 456932842 /nfs/dbraw/zinc/93/28/42/456932842.db2.gz OVNGZWNPTTYFAH-SEDUGSJDSA-N 1 2 342.418 3.233 20 30 EGEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000329739504 456934822 /nfs/dbraw/zinc/93/48/22/456934822.db2.gz UWZNWCNHIMOUIC-RHSMWYFYSA-N 1 2 328.391 3.157 20 30 EGEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000329739504 456934824 /nfs/dbraw/zinc/93/48/24/456934824.db2.gz UWZNWCNHIMOUIC-RHSMWYFYSA-N 1 2 328.391 3.157 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)C1CC1 ZINC000345568567 456983776 /nfs/dbraw/zinc/98/37/76/456983776.db2.gz CTNBHECEKKZHSO-IRXDYDNUSA-N 1 2 337.427 3.215 20 30 EGEDLO C[N@H+](CCC(C)(C)C#N)CC(=O)Nc1ccccc1Br ZINC000345722759 456989404 /nfs/dbraw/zinc/98/94/04/456989404.db2.gz AXEYOTNNLOGRHP-UHFFFAOYSA-N 1 2 338.249 3.259 20 30 EGEDLO C[N@@H+](CCC(C)(C)C#N)CC(=O)Nc1ccccc1Br ZINC000345722759 456989408 /nfs/dbraw/zinc/98/94/08/456989408.db2.gz AXEYOTNNLOGRHP-UHFFFAOYSA-N 1 2 338.249 3.259 20 30 EGEDLO N#Cc1cccc(N2CC[NH+](Cc3c(F)cccc3Cl)CC2)n1 ZINC000339214911 456996283 /nfs/dbraw/zinc/99/62/83/456996283.db2.gz HKVUHECGPLLITF-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000345984310 457009173 /nfs/dbraw/zinc/00/91/73/457009173.db2.gz BAUJTKTUODJBPJ-IRXDYDNUSA-N 1 2 336.395 3.430 20 30 EGEDLO Cc1cc(Br)cn2c(CN(C)CC(C)(C)C#N)c[nH+]c12 ZINC000354016675 457011031 /nfs/dbraw/zinc/01/10/31/457011031.db2.gz BRMXUYCMSUBJRB-UHFFFAOYSA-N 1 2 335.249 3.387 20 30 EGEDLO C=CC[C@H](CC)NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000346423023 457042433 /nfs/dbraw/zinc/04/24/33/457042433.db2.gz YODCPZMHMIZQAG-RBUKOAKNSA-N 1 2 345.487 3.022 20 30 EGEDLO COc1cc(Cl)c(C)cc1NC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000330781805 457083731 /nfs/dbraw/zinc/08/37/31/457083731.db2.gz OXUUSAPQLRABLP-UHFFFAOYSA-N 1 2 335.835 3.221 20 30 EGEDLO CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC000339591891 457159252 /nfs/dbraw/zinc/15/92/52/457159252.db2.gz AMCRSYYQRVHXFV-UHFFFAOYSA-N 1 2 331.379 3.267 20 30 EGEDLO C[C@H]1CCC[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000356769646 457159921 /nfs/dbraw/zinc/15/99/21/457159921.db2.gz KJGYOUZQVSPSNS-QFBILLFUSA-N 1 2 325.456 3.029 20 30 EGEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000331359656 457172237 /nfs/dbraw/zinc/17/22/37/457172237.db2.gz WUUPLVZIJBVNFO-OUCADQQQSA-N 1 2 335.835 3.266 20 30 EGEDLO N#Cc1cccc(OCCC[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000363148484 457238868 /nfs/dbraw/zinc/23/88/68/457238868.db2.gz MAKPBHTZIMRXNA-NRFANRHFSA-N 1 2 347.418 3.272 20 30 EGEDLO N#Cc1cccc(OCCC[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000363148484 457238875 /nfs/dbraw/zinc/23/88/75/457238875.db2.gz MAKPBHTZIMRXNA-NRFANRHFSA-N 1 2 347.418 3.272 20 30 EGEDLO CC#CC[N@@H+](C)CC(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1 ZINC000339757450 457252069 /nfs/dbraw/zinc/25/20/69/457252069.db2.gz SQWZAUBASBIXGT-UHFFFAOYSA-N 1 2 343.452 3.021 20 30 EGEDLO CC#CC[N@H+](C)CC(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1 ZINC000339757450 457252077 /nfs/dbraw/zinc/25/20/77/457252077.db2.gz SQWZAUBASBIXGT-UHFFFAOYSA-N 1 2 343.452 3.021 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000354831178 457322839 /nfs/dbraw/zinc/32/28/39/457322839.db2.gz OETSESDSDBCCBC-RBSFLKMASA-N 1 2 331.435 3.141 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000354831178 457322846 /nfs/dbraw/zinc/32/28/46/457322846.db2.gz OETSESDSDBCCBC-RBSFLKMASA-N 1 2 331.435 3.141 20 30 EGEDLO C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(F)(C#N)CC1 ZINC000352448422 457376757 /nfs/dbraw/zinc/37/67/57/457376757.db2.gz HBFIVUWFQHFITD-CQSZACIVSA-N 1 2 325.387 3.494 20 30 EGEDLO N#CC1(F)CC[NH+](Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000352469581 457392307 /nfs/dbraw/zinc/39/23/07/457392307.db2.gz YSOJIMYXEXBAGZ-UHFFFAOYSA-N 1 2 341.180 3.005 20 30 EGEDLO Cc1nc([C@H]2CCCC[N@H+]2Cc2ccc(N(C)CCC#N)cc2)no1 ZINC000378351950 457393470 /nfs/dbraw/zinc/39/34/70/457393470.db2.gz VATVFLKIEWPGIF-GOSISDBHSA-N 1 2 339.443 3.455 20 30 EGEDLO Cc1nc([C@H]2CCCC[N@@H+]2Cc2ccc(N(C)CCC#N)cc2)no1 ZINC000378351950 457393475 /nfs/dbraw/zinc/39/34/75/457393475.db2.gz VATVFLKIEWPGIF-GOSISDBHSA-N 1 2 339.443 3.455 20 30 EGEDLO CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352484492 457404136 /nfs/dbraw/zinc/40/41/36/457404136.db2.gz QACONGRFPYUKFV-UHFFFAOYSA-N 1 2 349.425 3.280 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(F)(C#N)CC1 ZINC000352485566 457406558 /nfs/dbraw/zinc/40/65/58/457406558.db2.gz ZUJJNMSHFOTNFX-LLVKDONJSA-N 1 2 343.324 3.360 20 30 EGEDLO CC1CCN(C(=O)C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000369804602 457408482 /nfs/dbraw/zinc/40/84/82/457408482.db2.gz VYTFJKKANWDKQG-MOPGFXCFSA-N 1 2 325.456 3.017 20 30 EGEDLO CC1CCN(C(=O)C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000369804602 457408486 /nfs/dbraw/zinc/40/84/86/457408486.db2.gz VYTFJKKANWDKQG-MOPGFXCFSA-N 1 2 325.456 3.017 20 30 EGEDLO C=CCOc1ccccc1CNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000356017494 457440347 /nfs/dbraw/zinc/44/03/47/457440347.db2.gz WPKYAYUAUDPAAH-UHFFFAOYSA-N 1 2 335.407 3.377 20 30 EGEDLO Cc1[nH]c(C#N)cc1C(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000425321809 457497922 /nfs/dbraw/zinc/49/79/22/457497922.db2.gz SINAYUSQPTYEBV-UHFFFAOYSA-N 1 2 347.422 3.166 20 30 EGEDLO C=CCc1ccc(OCC(=O)Nc2cccc3[nH+]ccn32)c(OC)c1 ZINC000357442199 457529901 /nfs/dbraw/zinc/52/99/01/457529901.db2.gz SKYXVECHSWVVQR-UHFFFAOYSA-N 1 2 337.379 3.089 20 30 EGEDLO CCC[C@@H]([NH2+]Cc1cc(C#N)ccc1OC)c1nnc2ccccn21 ZINC000347626970 457558411 /nfs/dbraw/zinc/55/84/11/457558411.db2.gz XPCRQBKJYGBQRW-MRXNPFEDSA-N 1 2 335.411 3.241 20 30 EGEDLO CC(C)COC[C@H]([NH2+][C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1ccco1 ZINC000347630581 457562591 /nfs/dbraw/zinc/56/25/91/457562591.db2.gz DNHNYDSHOPXKHU-TXPKVOOTSA-N 1 2 349.475 3.026 20 30 EGEDLO CC(C)(C)C(=O)N1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000361357065 457704432 /nfs/dbraw/zinc/70/44/32/457704432.db2.gz BFHVCHFPPLEIKR-UHFFFAOYSA-N 1 2 332.875 3.272 20 30 EGEDLO CC(C)(C)C(=O)N1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000361357065 457704434 /nfs/dbraw/zinc/70/44/34/457704434.db2.gz BFHVCHFPPLEIKR-UHFFFAOYSA-N 1 2 332.875 3.272 20 30 EGEDLO COCCCn1nccc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000374993554 457747780 /nfs/dbraw/zinc/74/77/80/457747780.db2.gz GWSKKZSMZKMQSE-WOJBJXKFSA-N 1 2 338.455 3.191 20 30 EGEDLO COCCCn1nccc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000374993554 457747785 /nfs/dbraw/zinc/74/77/85/457747785.db2.gz GWSKKZSMZKMQSE-WOJBJXKFSA-N 1 2 338.455 3.191 20 30 EGEDLO N#CCc1cc(Cl)ccc1NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000410963557 457771530 /nfs/dbraw/zinc/77/15/30/457771530.db2.gz GAIQLBUKZANGRW-UHFFFAOYSA-N 1 2 341.789 3.322 20 30 EGEDLO N#C[C@@H](CCc1ccccc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000433232895 457785265 /nfs/dbraw/zinc/78/52/65/457785265.db2.gz NFWLNHLRDGRCFO-LJQANCHMSA-N 1 2 348.450 3.071 20 30 EGEDLO C[N@H+](CC(=O)NCC1(c2ccc(F)cc2)CCCC1)CC(C)(C)C#N ZINC000433314534 457807112 /nfs/dbraw/zinc/80/71/12/457807112.db2.gz UZOCPFBHPHPBSE-UHFFFAOYSA-N 1 2 345.462 3.235 20 30 EGEDLO C[N@@H+](CC(=O)NCC1(c2ccc(F)cc2)CCCC1)CC(C)(C)C#N ZINC000433314534 457807117 /nfs/dbraw/zinc/80/71/17/457807117.db2.gz UZOCPFBHPHPBSE-UHFFFAOYSA-N 1 2 345.462 3.235 20 30 EGEDLO C[N@H+](Cc1cccc(C(=O)NCc2ccco2)c1)CC(C)(C)C#N ZINC000433318586 457808851 /nfs/dbraw/zinc/80/88/51/457808851.db2.gz LZZJZBVMTKDQQV-UHFFFAOYSA-N 1 2 325.412 3.191 20 30 EGEDLO C[N@@H+](Cc1cccc(C(=O)NCc2ccco2)c1)CC(C)(C)C#N ZINC000433318586 457808857 /nfs/dbraw/zinc/80/88/57/457808857.db2.gz LZZJZBVMTKDQQV-UHFFFAOYSA-N 1 2 325.412 3.191 20 30 EGEDLO COc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1OC ZINC000371463244 457943861 /nfs/dbraw/zinc/94/38/61/457943861.db2.gz HQJGVGKVFPSRPS-HXUWFJFHSA-N 1 2 338.407 3.149 20 30 EGEDLO COc1ccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1OC ZINC000371463244 457943867 /nfs/dbraw/zinc/94/38/67/457943867.db2.gz HQJGVGKVFPSRPS-HXUWFJFHSA-N 1 2 338.407 3.149 20 30 EGEDLO N#CCc1ccc(C[S@@](=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000445540131 458061429 /nfs/dbraw/zinc/06/14/29/458061429.db2.gz NWHULLURLAZJJC-RUZDIDTESA-N 1 2 349.459 3.446 20 30 EGEDLO CC(C)(CNc1nc2c(cc1C#N)CCCC2(C)C)[NH+]1CCOCC1 ZINC000428124695 458083020 /nfs/dbraw/zinc/08/30/20/458083020.db2.gz KVOQDDCYBCPDGB-UHFFFAOYSA-N 1 2 342.487 3.090 20 30 EGEDLO CCCCC[C@H](C)NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000369215121 458127010 /nfs/dbraw/zinc/12/70/10/458127010.db2.gz OAMPSSUWGYJTFX-KRWDZBQOSA-N 1 2 342.487 3.024 20 30 EGEDLO CC(C)CN(C(=O)C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1)C1CC1 ZINC000362438837 458177366 /nfs/dbraw/zinc/17/73/66/458177366.db2.gz MZDVBGZMQAWQHD-WOJBJXKFSA-N 1 2 339.483 3.405 20 30 EGEDLO CC(C)CN(C(=O)C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1)C1CC1 ZINC000362438837 458177371 /nfs/dbraw/zinc/17/73/71/458177371.db2.gz MZDVBGZMQAWQHD-WOJBJXKFSA-N 1 2 339.483 3.405 20 30 EGEDLO CC[C@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H](C)O1 ZINC000447043585 458258081 /nfs/dbraw/zinc/25/80/81/458258081.db2.gz BNIQRSPLEJUSBR-ZFWWWQNUSA-N 1 2 327.346 3.436 20 30 EGEDLO CC[C@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H](C)O1 ZINC000447043585 458258083 /nfs/dbraw/zinc/25/80/83/458258083.db2.gz BNIQRSPLEJUSBR-ZFWWWQNUSA-N 1 2 327.346 3.436 20 30 EGEDLO Cc1c[nH]c(-c2ccccc2NC(=O)Cc2cccc(OCC#N)c2)[nH+]1 ZINC000372349347 458285364 /nfs/dbraw/zinc/28/53/64/458285364.db2.gz JFNYASPLIQSJKQ-UHFFFAOYSA-N 1 2 346.390 3.469 20 30 EGEDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH+]1Cc1ccc(F)c(C#N)c1 ZINC000429408522 458330864 /nfs/dbraw/zinc/33/08/64/458330864.db2.gz POWMSVRWYBUWPP-ZIAGYGMSSA-N 1 2 331.435 3.165 20 30 EGEDLO CCn1c[nH+]cc1CNc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000418019232 458370211 /nfs/dbraw/zinc/37/02/11/458370211.db2.gz WRTOYRXTOJDBNX-UHFFFAOYSA-N 1 2 337.427 3.098 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000419630066 458389357 /nfs/dbraw/zinc/38/93/57/458389357.db2.gz CMLVVPZYQFQIHI-WMZOPIPTSA-N 1 2 349.438 3.248 20 30 EGEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C(C)C)C2COC2)ccc1Cl ZINC000451119915 458466469 /nfs/dbraw/zinc/46/64/69/458466469.db2.gz HYDFRNZHEDTPQS-UHFFFAOYSA-N 1 2 349.862 3.004 20 30 EGEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+](C(C)C)C2COC2)ccc1Cl ZINC000451119915 458466475 /nfs/dbraw/zinc/46/64/75/458466475.db2.gz HYDFRNZHEDTPQS-UHFFFAOYSA-N 1 2 349.862 3.004 20 30 EGEDLO COc1ccc2c(c1)C[N@@H+](Cc1cn3ccccc3c1C#N)CCO2 ZINC000451640731 458484383 /nfs/dbraw/zinc/48/43/83/458484383.db2.gz FKUZHYOGKFTEBX-UHFFFAOYSA-N 1 2 333.391 3.214 20 30 EGEDLO COc1ccc2c(c1)C[N@H+](Cc1cn3ccccc3c1C#N)CCO2 ZINC000451640731 458484385 /nfs/dbraw/zinc/48/43/85/458484385.db2.gz FKUZHYOGKFTEBX-UHFFFAOYSA-N 1 2 333.391 3.214 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCOC(C)(C)C1 ZINC000377387962 458498477 /nfs/dbraw/zinc/49/84/77/458498477.db2.gz CIIOVAAWKNXDEC-UHFFFAOYSA-N 1 2 334.485 3.404 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCCOC(C)(C)C1 ZINC000377387962 458498483 /nfs/dbraw/zinc/49/84/83/458498483.db2.gz CIIOVAAWKNXDEC-UHFFFAOYSA-N 1 2 334.485 3.404 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)[NH+]1CCSCC1 ZINC000452683747 458506279 /nfs/dbraw/zinc/50/62/79/458506279.db2.gz OFLAJCVVBZNXBN-ZDUSSCGKSA-N 1 2 347.484 3.111 20 30 EGEDLO N#C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1cccc(Cl)c1Cl ZINC000373586478 458541051 /nfs/dbraw/zinc/54/10/51/458541051.db2.gz SMKOIBCSCVBRRJ-MFKMUULPSA-N 1 2 349.221 3.133 20 30 EGEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cc3cccc(OCC)c3o2)nn1 ZINC000424294512 458607001 /nfs/dbraw/zinc/60/70/01/458607001.db2.gz KUOIQRJXYWSLQB-ZDUSSCGKSA-N 1 2 326.400 3.460 20 30 EGEDLO N#C[C@H]1N(Cc2cn3cc(Cl)ccc3[nH+]2)CCC[C@]12CCCCO2 ZINC000373835873 458619640 /nfs/dbraw/zinc/61/96/40/458619640.db2.gz IZNUYTMRGVIALW-SJLPKXTDSA-N 1 2 344.846 3.415 20 30 EGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cccc(CC#N)c1 ZINC000455906177 458620614 /nfs/dbraw/zinc/62/06/14/458620614.db2.gz MZPWRXIJQJEHRV-UHFFFAOYSA-N 1 2 339.443 3.456 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@H+](CCO)Cc2cccc(F)c2)c1C ZINC000494287906 458654609 /nfs/dbraw/zinc/65/46/09/458654609.db2.gz NHLSRYSWVVVNMV-UHFFFAOYSA-N 1 2 344.430 3.107 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](CCO)Cc2cccc(F)c2)c1C ZINC000494287906 458654611 /nfs/dbraw/zinc/65/46/11/458654611.db2.gz NHLSRYSWVVVNMV-UHFFFAOYSA-N 1 2 344.430 3.107 20 30 EGEDLO C=CCCn1cc(C(=O)Nc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)nn1 ZINC000424562162 458662250 /nfs/dbraw/zinc/66/22/50/458662250.db2.gz MMUIFLCLWUMCAY-UHFFFAOYSA-N 1 2 338.415 3.280 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000424580095 458667614 /nfs/dbraw/zinc/66/76/14/458667614.db2.gz CBXSEKPXAKSZGX-GOSISDBHSA-N 1 2 330.472 3.087 20 30 EGEDLO CCCCN(CC)C(=O)C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000464820264 458778709 /nfs/dbraw/zinc/77/87/09/458778709.db2.gz VTNCCNDXPOSALF-RTBURBONSA-N 1 2 327.472 3.407 20 30 EGEDLO CCCCN(CC)C(=O)C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000464820264 458778715 /nfs/dbraw/zinc/77/87/15/458778715.db2.gz VTNCCNDXPOSALF-RTBURBONSA-N 1 2 327.472 3.407 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)Nc1cc(C)cc(C)c1)Cc1ccc(CO)o1 ZINC000512197918 458783676 /nfs/dbraw/zinc/78/36/76/458783676.db2.gz RNMKNNXNNCHQJZ-UHFFFAOYSA-N 1 2 342.439 3.406 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)Nc1cc(C)cc(C)c1)Cc1ccc(CO)o1 ZINC000512197918 458783684 /nfs/dbraw/zinc/78/36/84/458783684.db2.gz RNMKNNXNNCHQJZ-UHFFFAOYSA-N 1 2 342.439 3.406 20 30 EGEDLO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000513748541 458795093 /nfs/dbraw/zinc/79/50/93/458795093.db2.gz GXQJFRVZJCSWFB-UHFFFAOYSA-N 1 2 340.349 3.418 20 30 EGEDLO C=C(C)C[N@H+](CC)CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000513748541 458795098 /nfs/dbraw/zinc/79/50/98/458795098.db2.gz GXQJFRVZJCSWFB-UHFFFAOYSA-N 1 2 340.349 3.418 20 30 EGEDLO C=C[C@@H]1CCCCN1C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000495179398 458806931 /nfs/dbraw/zinc/80/69/31/458806931.db2.gz BSLHXQYWYCJAIA-CZUORRHYSA-N 1 2 337.414 3.318 20 30 EGEDLO N#C[C@@H]1CC[C@H]([NH2+][C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)C1 ZINC000549553923 458882091 /nfs/dbraw/zinc/88/20/91/458882091.db2.gz JESSPZOIVAQMFD-SWHYSGLUSA-N 1 2 335.333 3.195 20 30 EGEDLO Cc1ccc([C@H]([NH2+]CCC#N)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000519760220 459001061 /nfs/dbraw/zinc/00/10/61/459001061.db2.gz OSCNQYRFCQWSDX-LJQANCHMSA-N 1 2 342.464 3.300 20 30 EGEDLO COc1cc(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)ccc1C#N ZINC000442811372 459040672 /nfs/dbraw/zinc/04/06/72/459040672.db2.gz OSSBSINZQDSRKD-UHFFFAOYSA-N 1 2 344.418 3.311 20 30 EGEDLO COc1cc(C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)ccc1C#N ZINC000442811372 459040677 /nfs/dbraw/zinc/04/06/77/459040677.db2.gz OSSBSINZQDSRKD-UHFFFAOYSA-N 1 2 344.418 3.311 20 30 EGEDLO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC(C#N)C2)n1 ZINC000590085104 459080487 /nfs/dbraw/zinc/08/04/87/459080487.db2.gz UKOJUTWGVVDESS-UHFFFAOYSA-N 1 2 349.463 3.380 20 30 EGEDLO CC(C)[N@@H+]1CCO[C@H](c2noc([C@@H](C)Cc3ccc(C#N)cc3)n2)C1 ZINC000594530406 459080929 /nfs/dbraw/zinc/08/09/29/459080929.db2.gz RLVUIYITINEQMU-YOEHRIQHSA-N 1 2 340.427 3.069 20 30 EGEDLO CC(C)[N@H+]1CCO[C@H](c2noc([C@@H](C)Cc3ccc(C#N)cc3)n2)C1 ZINC000594530406 459080936 /nfs/dbraw/zinc/08/09/36/459080936.db2.gz RLVUIYITINEQMU-YOEHRIQHSA-N 1 2 340.427 3.069 20 30 EGEDLO C=CCCCCS[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000567573254 459127609 /nfs/dbraw/zinc/12/76/09/459127609.db2.gz HZYXQGLCNHHCEU-INIZCTEOSA-N 1 2 333.501 3.208 20 30 EGEDLO Cc1cc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)c(C#N)c[nH+]1 ZINC000496386915 459174892 /nfs/dbraw/zinc/17/48/92/459174892.db2.gz XQSPWORSLFAPBQ-UHFFFAOYSA-N 1 2 344.459 3.345 20 30 EGEDLO C[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1cccc(O)c1 ZINC000533310390 459219697 /nfs/dbraw/zinc/21/96/97/459219697.db2.gz GDVBRPWOZQNHDE-UHFFFAOYSA-N 1 2 341.436 3.078 20 30 EGEDLO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1cccc(O)c1 ZINC000533310390 459219705 /nfs/dbraw/zinc/21/97/05/459219705.db2.gz GDVBRPWOZQNHDE-UHFFFAOYSA-N 1 2 341.436 3.078 20 30 EGEDLO C=C(Br)C[NH+]1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000496560421 459239238 /nfs/dbraw/zinc/23/92/38/459239238.db2.gz YJPPXEFYGJXYHT-UHFFFAOYSA-N 1 2 345.281 3.370 20 30 EGEDLO CC#CC[N@H+](C)CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 ZINC000559468020 459261396 /nfs/dbraw/zinc/26/13/96/459261396.db2.gz WEWZAYOHKLSXHA-LJQANCHMSA-N 1 2 349.434 3.221 20 30 EGEDLO CC#CC[N@@H+](C)CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 ZINC000559468020 459261403 /nfs/dbraw/zinc/26/14/03/459261403.db2.gz WEWZAYOHKLSXHA-LJQANCHMSA-N 1 2 349.434 3.221 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000580836827 459265451 /nfs/dbraw/zinc/26/54/51/459265451.db2.gz KQNBIDXYIOYHJA-WQGACYEGSA-N 1 2 340.254 3.057 20 30 EGEDLO C=CCOC[C@H]([NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)cc1)C(=O)OC ZINC000482432903 459306953 /nfs/dbraw/zinc/30/69/53/459306953.db2.gz CGDTVDZPOGUVNT-IKGGRYGDSA-N 1 2 337.847 3.310 20 30 EGEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000568627608 459319789 /nfs/dbraw/zinc/31/97/89/459319789.db2.gz FITDNVGVVDOSQZ-HZMBPMFUSA-N 1 2 345.752 3.425 20 30 EGEDLO C=CCc1ccccc1OC[C@@H](O)CN(C)c1[nH]c2ccccc2[nH+]1 ZINC000534397945 459323055 /nfs/dbraw/zinc/32/30/55/459323055.db2.gz OSSBXOHJSSUDIL-INIZCTEOSA-N 1 2 337.423 3.168 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483098792 459339591 /nfs/dbraw/zinc/33/95/91/459339591.db2.gz CISDPHOHKATNHB-MJGOQNOKSA-N 1 2 338.382 3.401 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483098792 459339598 /nfs/dbraw/zinc/33/95/98/459339598.db2.gz CISDPHOHKATNHB-MJGOQNOKSA-N 1 2 338.382 3.401 20 30 EGEDLO C[C@@H](NC(=O)NCc1ccc[nH+]c1N1CCCC1)c1cccc(C#N)c1 ZINC000595543093 459340084 /nfs/dbraw/zinc/34/00/84/459340084.db2.gz YEAWDMNWQQOHNO-OAHLLOKOSA-N 1 2 349.438 3.114 20 30 EGEDLO C=CCCOCCCCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000537162992 459364979 /nfs/dbraw/zinc/36/49/79/459364979.db2.gz QTKYALJKIKZCRW-UHFFFAOYSA-N 1 2 336.501 3.155 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000595614443 459368883 /nfs/dbraw/zinc/36/88/83/459368883.db2.gz IAVUCMLUQFUICM-GFCCVEGCSA-N 1 2 325.334 3.270 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000595614443 459368887 /nfs/dbraw/zinc/36/88/87/459368887.db2.gz IAVUCMLUQFUICM-GFCCVEGCSA-N 1 2 325.334 3.270 20 30 EGEDLO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595620415 459371550 /nfs/dbraw/zinc/37/15/50/459371550.db2.gz NIVFAWIILGXWDI-QWHCGFSZSA-N 1 2 328.441 3.249 20 30 EGEDLO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595620415 459371556 /nfs/dbraw/zinc/37/15/56/459371556.db2.gz NIVFAWIILGXWDI-QWHCGFSZSA-N 1 2 328.441 3.249 20 30 EGEDLO COc1cc(-c2noc(C[N@@H+]3CCC[C@H](CC#N)C3)n2)ccc1C ZINC000595619437 459371913 /nfs/dbraw/zinc/37/19/13/459371913.db2.gz BAGUVPAAXXJQPQ-CQSZACIVSA-N 1 2 326.400 3.179 20 30 EGEDLO COc1cc(-c2noc(C[N@H+]3CCC[C@H](CC#N)C3)n2)ccc1C ZINC000595619437 459371920 /nfs/dbraw/zinc/37/19/20/459371920.db2.gz BAGUVPAAXXJQPQ-CQSZACIVSA-N 1 2 326.400 3.179 20 30 EGEDLO Cc1cc(C)cc(C2=CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)c1 ZINC000538786261 459374202 /nfs/dbraw/zinc/37/42/02/459374202.db2.gz JHYRNDKGUUKHHN-NRFANRHFSA-N 1 2 339.483 3.447 20 30 EGEDLO Cc1cc(C)cc(C2=CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)c1 ZINC000538786261 459374212 /nfs/dbraw/zinc/37/42/12/459374212.db2.gz JHYRNDKGUUKHHN-NRFANRHFSA-N 1 2 339.483 3.447 20 30 EGEDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595631073 459376649 /nfs/dbraw/zinc/37/66/49/459376649.db2.gz QJWNQLMBUUDRHO-CYBMUJFWSA-N 1 2 342.424 3.411 20 30 EGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000560848931 459401685 /nfs/dbraw/zinc/40/16/85/459401685.db2.gz JMGVZUYUHVIYSQ-QZTJIDSGSA-N 1 2 338.455 3.106 20 30 EGEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000595706570 459407430 /nfs/dbraw/zinc/40/74/30/459407430.db2.gz YVVGCBJOZQVGRS-OALUTQOASA-N 1 2 335.382 3.250 20 30 EGEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000595706570 459407436 /nfs/dbraw/zinc/40/74/36/459407436.db2.gz YVVGCBJOZQVGRS-OALUTQOASA-N 1 2 335.382 3.250 20 30 EGEDLO C[C@H](CC(=O)Nc1cccc(OC(F)(F)F)c1C#N)n1cc[nH+]c1 ZINC000583027977 459470124 /nfs/dbraw/zinc/47/01/24/459470124.db2.gz GHKWGPRZWLCIBS-SNVBAGLBSA-N 1 2 338.289 3.243 20 30 EGEDLO CC(C)n1cc([C@@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)cn1 ZINC000541643776 459476950 /nfs/dbraw/zinc/47/69/50/459476950.db2.gz FRUYWYUQZNKSQZ-CYBMUJFWSA-N 1 2 336.399 3.236 20 30 EGEDLO CC[C@@H](C(=O)Nc1ccc(Cl)cc1CC#N)[N@@H+]1CCO[C@H](CC)C1 ZINC000583094908 459482256 /nfs/dbraw/zinc/48/22/56/459482256.db2.gz YJBVCLUYXOOKHH-WBVHZDCISA-N 1 2 349.862 3.234 20 30 EGEDLO CC[C@@H](C(=O)Nc1ccc(Cl)cc1CC#N)[N@H+]1CCO[C@H](CC)C1 ZINC000583094908 459482261 /nfs/dbraw/zinc/48/22/61/459482261.db2.gz YJBVCLUYXOOKHH-WBVHZDCISA-N 1 2 349.862 3.234 20 30 EGEDLO C=CC[C@@H](CO)CNC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000541878901 459505251 /nfs/dbraw/zinc/50/52/51/459505251.db2.gz LXMPBBXCJMFRBP-HZPDHXFCSA-N 1 2 346.475 3.075 20 30 EGEDLO CCn1c(CCNc2nc(C#N)c(Cl)s2)[nH+]c2ccccc21 ZINC000596097128 459519883 /nfs/dbraw/zinc/51/98/83/459519883.db2.gz DXYXGEXBTWTTLY-UHFFFAOYSA-N 1 2 331.832 3.114 20 30 EGEDLO CC(C)(C)C[N@H+](CCC#N)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000488414657 459544641 /nfs/dbraw/zinc/54/46/41/459544641.db2.gz HGUHUSXJAPWXQF-UHFFFAOYSA-N 1 2 330.428 3.292 20 30 EGEDLO CC(C)(C)C[N@@H+](CCC#N)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000488414657 459544647 /nfs/dbraw/zinc/54/46/47/459544647.db2.gz HGUHUSXJAPWXQF-UHFFFAOYSA-N 1 2 330.428 3.292 20 30 EGEDLO C=C(C)CNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000488595827 459547165 /nfs/dbraw/zinc/54/71/65/459547165.db2.gz NBRQBLATGBSZLY-OAHLLOKOSA-N 1 2 339.842 3.491 20 30 EGEDLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000526303801 459555546 /nfs/dbraw/zinc/55/55/46/459555546.db2.gz WQCGDUFDIGEYEW-ZDUSSCGKSA-N 1 2 334.489 3.130 20 30 EGEDLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000526303801 459555554 /nfs/dbraw/zinc/55/55/54/459555554.db2.gz WQCGDUFDIGEYEW-ZDUSSCGKSA-N 1 2 334.489 3.130 20 30 EGEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H]1COc2cc(F)c(Br)cc21 ZINC000583576207 459562710 /nfs/dbraw/zinc/56/27/10/459562710.db2.gz HRYHJKZOGAHNAV-TVQRCGJNSA-N 1 2 338.180 3.055 20 30 EGEDLO COC(=O)c1cccc(C[NH2+][C@H](c2ncc(C)s2)C2CC2)c1C#N ZINC000542534208 459567815 /nfs/dbraw/zinc/56/78/15/459567815.db2.gz YSXQLRNSUNZLTI-INIZCTEOSA-N 1 2 341.436 3.351 20 30 EGEDLO C=CCn1c(COc2ccccc2)nnc1SCc1c[nH+]cn1C ZINC000489673170 459569736 /nfs/dbraw/zinc/56/97/36/459569736.db2.gz WWOZHUNPQKYGNS-UHFFFAOYSA-N 1 2 341.440 3.069 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000562491915 459571967 /nfs/dbraw/zinc/57/19/67/459571967.db2.gz TXVFQWUUBFAEIR-ZDUSSCGKSA-N 1 2 339.443 3.038 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000562491915 459571972 /nfs/dbraw/zinc/57/19/72/459571972.db2.gz TXVFQWUUBFAEIR-ZDUSSCGKSA-N 1 2 339.443 3.038 20 30 EGEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000572579440 459581821 /nfs/dbraw/zinc/58/18/21/459581821.db2.gz LVZLJKUKBUDRPE-YOEHRIQHSA-N 1 2 335.411 3.158 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cc(C)cc(Cl)c2)n1 ZINC000491209364 459604979 /nfs/dbraw/zinc/60/49/79/459604979.db2.gz GDQOXDYJWCFZTC-UHFFFAOYSA-N 1 2 331.847 3.127 20 30 EGEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cc(C)cc(Cl)c2)n1 ZINC000491209364 459604984 /nfs/dbraw/zinc/60/49/84/459604984.db2.gz GDQOXDYJWCFZTC-UHFFFAOYSA-N 1 2 331.847 3.127 20 30 EGEDLO N#CCOc1cccc(NC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000491520588 459633612 /nfs/dbraw/zinc/63/36/12/459633612.db2.gz OCPFADCQEFOOTG-TWGQIWQCSA-N 1 2 344.374 3.427 20 30 EGEDLO N#C[C@@H](NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000491520959 459633740 /nfs/dbraw/zinc/63/37/40/459633740.db2.gz QXEIEFUVSBXFOT-KSYKMBSMSA-N 1 2 346.365 3.406 20 30 EGEDLO C#C[C@@H](CC)NC(=O)N1CCC(n2c(CC)[nH+]c3ccccc32)CC1 ZINC000491805514 459676421 /nfs/dbraw/zinc/67/64/21/459676421.db2.gz OTDZAPBKRVHUFJ-HNNXBMFYSA-N 1 2 338.455 3.357 20 30 EGEDLO Cc1[nH+]c2cc(NC(=O)/C=C/c3ccc(OCC#N)cc3)ccc2n1C ZINC000491916953 459684316 /nfs/dbraw/zinc/68/43/16/459684316.db2.gz XFYVEXSJRJEYMB-BJMVGYQFSA-N 1 2 346.390 3.436 20 30 EGEDLO CCOc1ccc(N(CCC#N)C(=O)/C=C\c2[nH+]ccn2CC)cc1 ZINC000492268794 459698838 /nfs/dbraw/zinc/69/88/38/459698838.db2.gz BDRAJFKDBYKGIF-KHPPLWFESA-N 1 2 338.411 3.262 20 30 EGEDLO C=CCCSCCNC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000596715688 459738638 /nfs/dbraw/zinc/73/86/38/459738638.db2.gz KSGCZKBAIKXWIP-INIZCTEOSA-N 1 2 344.484 3.450 20 30 EGEDLO CCc1cccc2cc(CN(CCC#N)CC[NH+]3CCOCC3)oc21 ZINC000596986046 459811462 /nfs/dbraw/zinc/81/14/62/459811462.db2.gz RCJQDJHBEOPONA-UHFFFAOYSA-N 1 2 341.455 3.043 20 30 EGEDLO CCc1cccc2cc(C[N@H+](CCC#N)CCN3CCOCC3)oc21 ZINC000596986046 459811465 /nfs/dbraw/zinc/81/14/65/459811465.db2.gz RCJQDJHBEOPONA-UHFFFAOYSA-N 1 2 341.455 3.043 20 30 EGEDLO CCc1cccc2cc(C[N@@H+](CCC#N)CCN3CCOCC3)oc21 ZINC000596986046 459811469 /nfs/dbraw/zinc/81/14/69/459811469.db2.gz RCJQDJHBEOPONA-UHFFFAOYSA-N 1 2 341.455 3.043 20 30 EGEDLO C=C(C)C[NH+]1CCC(Nc2[nH+]c3ccccc3c(C)c2C(=O)[O-])CC1 ZINC000566290074 459836339 /nfs/dbraw/zinc/83/63/39/459836339.db2.gz AEDVSBGLSOAOLB-UHFFFAOYSA-N 1 2 339.439 3.116 20 30 EGEDLO CC[C@H](C#N)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000593410352 459881929 /nfs/dbraw/zinc/88/19/29/459881929.db2.gz QSBUWHDEKFXEAJ-IUODEOHRSA-N 1 2 337.826 3.282 20 30 EGEDLO C[C@H](c1ccc(F)c(F)c1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000575192213 459945879 /nfs/dbraw/zinc/94/58/79/459945879.db2.gz KCBBJAPJJAYXKO-CYBMUJFWSA-N 1 2 328.366 3.115 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000609800788 460021320 /nfs/dbraw/zinc/02/13/20/460021320.db2.gz SZHBCRPFESSIIV-SZVBFZGTSA-N 1 2 345.512 3.219 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000609800788 460021327 /nfs/dbraw/zinc/02/13/27/460021327.db2.gz SZHBCRPFESSIIV-SZVBFZGTSA-N 1 2 345.512 3.219 20 30 EGEDLO COc1ccccc1C(=O)N1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000609822856 460024429 /nfs/dbraw/zinc/02/44/29/460024429.db2.gz MAZYAMDYFMAFGG-MRXNPFEDSA-N 1 2 349.434 3.086 20 30 EGEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000609822785 460024955 /nfs/dbraw/zinc/02/49/55/460024955.db2.gz BNPWZABXLURYOZ-CQSZACIVSA-N 1 2 347.422 3.179 20 30 EGEDLO N#Cc1c(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2C#N)sc2c1CCCCC2 ZINC000589164252 460041457 /nfs/dbraw/zinc/04/14/57/460041457.db2.gz VROPNRILAUJCKN-IUODEOHRSA-N 1 2 342.468 3.109 20 30 EGEDLO Cc1cnnn1-c1ccc([NH2+][C@@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602698674 460072690 /nfs/dbraw/zinc/07/26/90/460072690.db2.gz FAWFJKVIKBDHLT-AWEZNQCLSA-N 1 2 325.416 3.087 20 30 EGEDLO CC(=O)N(c1nc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cs1)C1CC1 ZINC000610344860 460127723 /nfs/dbraw/zinc/12/77/23/460127723.db2.gz JKDVRBIFWLIWCD-LBPRGKRZSA-N 1 2 340.452 3.381 20 30 EGEDLO Cc1ncc([C@H](C)[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c(C)n1 ZINC000614461703 460148319 /nfs/dbraw/zinc/14/83/19/460148319.db2.gz HHQGGGKEVMYXIW-JXFKEZNVSA-N 1 2 335.455 3.037 20 30 EGEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000602867134 460165657 /nfs/dbraw/zinc/16/56/57/460165657.db2.gz BKZQMDIAQDPILO-ZIAGYGMSSA-N 1 2 343.427 3.337 20 30 EGEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000618783121 460172052 /nfs/dbraw/zinc/17/20/52/460172052.db2.gz RBZGEEVUAVYRTJ-LJQANCHMSA-N 1 2 328.375 3.161 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1 ZINC000599470659 460259420 /nfs/dbraw/zinc/25/94/20/460259420.db2.gz VNSPGXLKLVLMBF-BLLLJJGKSA-N 1 2 335.810 3.210 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1 ZINC000599470659 460259424 /nfs/dbraw/zinc/25/94/24/460259424.db2.gz VNSPGXLKLVLMBF-BLLLJJGKSA-N 1 2 335.810 3.210 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCOC[C@@H]1C ZINC000610990790 460272947 /nfs/dbraw/zinc/27/29/47/460272947.db2.gz NCSAYTAUNSZNGC-GJZGRUSLSA-N 1 2 347.484 3.130 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCOC[C@@H]1C ZINC000610990790 460272951 /nfs/dbraw/zinc/27/29/51/460272951.db2.gz NCSAYTAUNSZNGC-GJZGRUSLSA-N 1 2 347.484 3.130 20 30 EGEDLO N#Cc1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)c(Br)c1 ZINC000611181836 460302535 /nfs/dbraw/zinc/30/25/35/460302535.db2.gz WOXOCHBLJXFVMZ-ZDUSSCGKSA-N 1 2 331.217 3.359 20 30 EGEDLO N#Cc1ccc(C2=CC[N@H+](Cc3nc(-c4ccccn4)no3)CC2)cc1 ZINC000611245344 460315643 /nfs/dbraw/zinc/31/56/43/460315643.db2.gz WWWLPQOHAYCYFI-UHFFFAOYSA-N 1 2 343.390 3.293 20 30 EGEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3nc(-c4ccccn4)no3)CC2)cc1 ZINC000611245344 460315646 /nfs/dbraw/zinc/31/56/46/460315646.db2.gz WWWLPQOHAYCYFI-UHFFFAOYSA-N 1 2 343.390 3.293 20 30 EGEDLO C=CCC[C@H](C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000615535444 460343481 /nfs/dbraw/zinc/34/34/81/460343481.db2.gz BRQMSKWRSDNFAZ-PMACEKPBSA-N 1 2 342.483 3.060 20 30 EGEDLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000611387747 460351408 /nfs/dbraw/zinc/35/14/08/460351408.db2.gz GIDXKIFYJFEXTQ-OAHLLOKOSA-N 1 2 332.411 3.002 20 30 EGEDLO C=C(C)COCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000626125478 460381951 /nfs/dbraw/zinc/38/19/51/460381951.db2.gz PGTFOAIHBMSEOD-KRWDZBQOSA-N 1 2 336.863 3.013 20 30 EGEDLO C=C(C)COCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000626125478 460381955 /nfs/dbraw/zinc/38/19/55/460381955.db2.gz PGTFOAIHBMSEOD-KRWDZBQOSA-N 1 2 336.863 3.013 20 30 EGEDLO N#Cc1cccc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1 ZINC000611551328 460396309 /nfs/dbraw/zinc/39/63/09/460396309.db2.gz KEQMXLHFRUTFGO-HXUWFJFHSA-N 1 2 334.398 3.080 20 30 EGEDLO Cc1[nH]c(CN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)[nH+]c1C ZINC000600156785 460412195 /nfs/dbraw/zinc/41/21/95/460412195.db2.gz VEPBMLCRNXEUIN-KRWDZBQOSA-N 1 2 343.862 3.062 20 30 EGEDLO C=CCC1(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCCCC1 ZINC000655732820 461401327 /nfs/dbraw/zinc/40/13/27/461401327.db2.gz NAJWIIIWYSQSNI-MRXNPFEDSA-N 1 2 328.460 3.239 20 30 EGEDLO C=CCCn1cc(C[NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)nn1 ZINC000657466803 462140601 /nfs/dbraw/zinc/14/06/01/462140601.db2.gz AYXNWHFBLGSMPG-UHFFFAOYSA-N 1 2 346.303 3.441 20 30 EGEDLO C=CC[C@@H]1CCCN(C(=O)NCc2ccc[nH+]c2N2CCCC2)C1 ZINC000661552016 462308070 /nfs/dbraw/zinc/30/80/70/462308070.db2.gz YMIVBPWXNJIZHE-MRXNPFEDSA-N 1 2 328.460 3.180 20 30 EGEDLO COc1cccc([C@H](CNCc2ccc(C#N)o2)[NH+]2CCCC2)c1 ZINC000174242020 533782032 /nfs/dbraw/zinc/78/20/32/533782032.db2.gz FCRUZMRLLXZAPT-IBGZPJMESA-N 1 2 325.412 3.087 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CCc3ccsc3C2)c(C#N)c1C ZINC000132917654 534610987 /nfs/dbraw/zinc/61/09/87/534610987.db2.gz MBZODRBEORBILI-UHFFFAOYSA-N 1 2 331.466 3.295 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CCc3ccsc3C2)c(C#N)c1C ZINC000132917654 534610991 /nfs/dbraw/zinc/61/09/91/534610991.db2.gz MBZODRBEORBILI-UHFFFAOYSA-N 1 2 331.466 3.295 20 30 EGEDLO CC#CCCSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000155040887 526341675 /nfs/dbraw/zinc/34/16/75/526341675.db2.gz BBSUNNKNVPMMOT-UHFFFAOYSA-N 1 2 340.496 3.428 20 30 EGEDLO C=C[C@@H](CC(=O)N1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000129386623 527420445 /nfs/dbraw/zinc/42/04/45/527420445.db2.gz FSRHJAXRBDTONL-IBGZPJMESA-N 1 2 335.451 3.086 20 30 EGEDLO C=CC[N@H+](CC(=O)N[C@H]1CCOc2ccccc21)Cc1cccs1 ZINC000050274535 546545833 /nfs/dbraw/zinc/54/58/33/546545833.db2.gz SBJNMNISJUVKDD-KRWDZBQOSA-N 1 2 342.464 3.376 20 30 EGEDLO C=CC[N@@H+](CC(=O)N[C@H]1CCOc2ccccc21)Cc1cccs1 ZINC000050274535 546545838 /nfs/dbraw/zinc/54/58/38/546545838.db2.gz SBJNMNISJUVKDD-KRWDZBQOSA-N 1 2 342.464 3.376 20 30 EGEDLO Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N1CCn2cc[nH+]c2C1 ZINC000329824302 547509147 /nfs/dbraw/zinc/50/91/47/547509147.db2.gz HUPZKDAIKRNBKY-CQSZACIVSA-N 1 2 328.416 3.228 20 30 EGEDLO N#C[C@H]1CCC[C@H]1NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000332881634 547524904 /nfs/dbraw/zinc/52/49/04/547524904.db2.gz DCHOKHQQOWSUQV-RHSMWYFYSA-N 1 2 347.422 3.416 20 30 EGEDLO COc1ccc(NC(=S)N[NH+]=Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000727648390 574681448 /nfs/dbraw/zinc/68/14/48/574681448.db2.gz DDHRCUUOYSTNLT-UHFFFAOYSA-N 1 2 346.431 3.221 20 30 EGEDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CO[NH+]=C(N)c1ccc(F)cc1 ZINC000729673683 574879331 /nfs/dbraw/zinc/87/93/31/574879331.db2.gz BDGNDCGFLJSOSZ-UHFFFAOYSA-N 1 2 347.346 3.358 20 30 EGEDLO C=CC[N@H+](CC(=O)OCc1ccccc1)Cc1ccc(OC)cc1 ZINC000731030528 575046793 /nfs/dbraw/zinc/04/67/93/575046793.db2.gz JEGDLUDCIIDJCO-UHFFFAOYSA-N 1 2 325.408 3.427 20 30 EGEDLO C=CC[N@@H+](CC(=O)OCc1ccccc1)Cc1ccc(OC)cc1 ZINC000731030528 575046796 /nfs/dbraw/zinc/04/67/96/575046796.db2.gz JEGDLUDCIIDJCO-UHFFFAOYSA-N 1 2 325.408 3.427 20 30 EGEDLO C=CCn1nnn(C[N@H+](CCC)CCc2cccc(F)c2)c1=S ZINC000733301608 575326375 /nfs/dbraw/zinc/32/63/75/575326375.db2.gz SNHURHPJSQERFR-UHFFFAOYSA-N 1 2 335.452 3.046 20 30 EGEDLO C=CCn1nnn(C[N@@H+](CCC)CCc2cccc(F)c2)c1=S ZINC000733301608 575326377 /nfs/dbraw/zinc/32/63/77/575326377.db2.gz SNHURHPJSQERFR-UHFFFAOYSA-N 1 2 335.452 3.046 20 30 EGEDLO CCc1cc(NCc2ccc(OC)c(O[C@@H](C#N)CC)c2)nc[nH+]1 ZINC000733302050 575326524 /nfs/dbraw/zinc/32/65/24/575326524.db2.gz HCCCGJAPXUOFNK-OAHLLOKOSA-N 1 2 326.400 3.341 20 30 EGEDLO CCN(CCO)c1ccc(C=[NH+]Nc2cnnc3ccccc32)c(C)c1 ZINC000733748157 575388198 /nfs/dbraw/zinc/38/81/98/575388198.db2.gz JJRCCABEVMUPQG-UHFFFAOYSA-N 1 2 349.438 3.203 20 30 EGEDLO C=CC[C@H](NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)c1ccncc1 ZINC000734679981 575540995 /nfs/dbraw/zinc/54/09/95/575540995.db2.gz LKHJBGUBVJCUAS-JKSUJKDBSA-N 1 2 325.416 3.359 20 30 EGEDLO N#Cc1ccc(C2=N/C(=C/c3c[nH+]c4ccc(Cl)cn34)C(=O)O2)cc1 ZINC000737466217 576234066 /nfs/dbraw/zinc/23/40/66/576234066.db2.gz VTGICXGBIQJQNW-VIZOYTHASA-N 1 2 348.749 3.204 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccc(-c2nn[nH]n2)cc1OC ZINC000825106817 608366316 /nfs/dbraw/zinc/36/63/16/608366316.db2.gz IWNYEYOVXWRHSJ-UHFFFAOYSA-N 1 2 342.447 3.027 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(-c2nn[nH]n2)cc1OC ZINC000825106817 608366317 /nfs/dbraw/zinc/36/63/17/608366317.db2.gz IWNYEYOVXWRHSJ-UHFFFAOYSA-N 1 2 342.447 3.027 20 30 EGEDLO Cc1cc(C)c(NC(=O)CO[NH+]=C(N)Cc2ccccc2)c(C)c1 ZINC000047255636 1291570318 /nfs/dbraw/zinc/57/03/18/1291570318.db2.gz IITVFGYWEKUNJY-UHFFFAOYSA-N 1 2 325.412 3.082 20 30 EGEDLO Cc1ccc([C@@H](C)NC(=O)CO[NH+]=C(N)Cc2ccccc2)cc1C ZINC000047255957 1291570503 /nfs/dbraw/zinc/57/05/03/1291570503.db2.gz NSAWDUMEWYYBAB-MRXNPFEDSA-N 1 2 339.439 3.012 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1cccnc1Cl)Cc1ccc(OC)cc1 ZINC000054272154 1291747837 /nfs/dbraw/zinc/74/78/37/1291747837.db2.gz YDKFSBLQOKQOMD-UHFFFAOYSA-N 1 2 345.830 3.370 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1cccnc1Cl)Cc1ccc(OC)cc1 ZINC000054272154 1291747843 /nfs/dbraw/zinc/74/78/43/1291747843.db2.gz YDKFSBLQOKQOMD-UHFFFAOYSA-N 1 2 345.830 3.370 20 30 EGEDLO CSc1cccc(NC(=O)CO[NH+]=C(N)c2ccc(F)c(C)c2)c1 ZINC000063458066 1292010725 /nfs/dbraw/zinc/01/07/25/1292010725.db2.gz YIKLPVFMMGYKRL-UHFFFAOYSA-N 1 2 347.415 3.132 20 30 EGEDLO COc1ccc(C(N)=[NH+]OCc2cc(-c3ccc(C)cc3)no2)cc1 ZINC000071965299 1292271612 /nfs/dbraw/zinc/27/16/12/1292271612.db2.gz XGXLBVMEIDTRFQ-UHFFFAOYSA-N 1 2 337.379 3.496 20 30 EGEDLO C#CCC[N@@H+](CCOC)Cc1cnn(Cc2ccccc2)c1Cl ZINC000827826337 1292383321 /nfs/dbraw/zinc/38/33/21/1292383321.db2.gz DDWBPOHKBXLDMT-UHFFFAOYSA-N 1 2 331.847 3.057 20 30 EGEDLO C#CCC[N@H+](CCOC)Cc1cnn(Cc2ccccc2)c1Cl ZINC000827826337 1292383329 /nfs/dbraw/zinc/38/33/29/1292383329.db2.gz DDWBPOHKBXLDMT-UHFFFAOYSA-N 1 2 331.847 3.057 20 30 EGEDLO C#CC1CC[NH+](Cc2c(Br)cccc2C(=O)OC)CC1 ZINC000830350474 1292710585 /nfs/dbraw/zinc/71/05/85/1292710585.db2.gz COAOFMDKBQMUNY-UHFFFAOYSA-N 1 2 336.229 3.081 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000102885016 1292984055 /nfs/dbraw/zinc/98/40/55/1292984055.db2.gz BJELFQRMOUMAAA-SFHVURJKSA-N 1 2 337.398 3.103 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000102885016 1292984060 /nfs/dbraw/zinc/98/40/60/1292984060.db2.gz BJELFQRMOUMAAA-SFHVURJKSA-N 1 2 337.398 3.103 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](CC)CC2CC2)c1=S ZINC000112200264 1293121437 /nfs/dbraw/zinc/12/14/37/1293121437.db2.gz HQSNCGMTDQXALF-UHFFFAOYSA-N 1 2 329.473 3.351 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](CC)CC2CC2)c1=S ZINC000112200264 1293121443 /nfs/dbraw/zinc/12/14/43/1293121443.db2.gz HQSNCGMTDQXALF-UHFFFAOYSA-N 1 2 329.473 3.351 20 30 EGEDLO C=CC[N@@H+](C)CC(=O)N1CCc2cc(-c3csc(C)n3)ccc21 ZINC000121491880 1293374641 /nfs/dbraw/zinc/37/46/41/1293374641.db2.gz DPOGXRHRESBMLU-UHFFFAOYSA-N 1 2 327.453 3.125 20 30 EGEDLO C=CC[N@H+](C)CC(=O)N1CCc2cc(-c3csc(C)n3)ccc21 ZINC000121491880 1293374650 /nfs/dbraw/zinc/37/46/50/1293374650.db2.gz DPOGXRHRESBMLU-UHFFFAOYSA-N 1 2 327.453 3.125 20 30 EGEDLO Cc1cnc(=S)n(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000132448629 1293719346 /nfs/dbraw/zinc/71/93/46/1293719346.db2.gz QQUXMRMZAQXBDJ-UHFFFAOYSA-N 1 2 340.452 3.294 20 30 EGEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccc(N4CCOCC4)cc3)n2c1 ZINC000151378703 1293921810 /nfs/dbraw/zinc/92/18/10/1293921810.db2.gz GNVBRLGOZYJQPM-BQYQJAHWSA-N 1 2 347.418 3.375 20 30 EGEDLO C=CCn1c(=S)n(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)nc1-c1ccccn1 ZINC000163044208 1294327590 /nfs/dbraw/zinc/32/75/90/1294327590.db2.gz UOPDYZQYDYFFMQ-GASCZTMLSA-N 1 2 341.484 3.351 20 30 EGEDLO C=CCn1c(=S)n(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)nc1-c1ccccn1 ZINC000163044208 1294327597 /nfs/dbraw/zinc/32/75/97/1294327597.db2.gz UOPDYZQYDYFFMQ-GASCZTMLSA-N 1 2 341.484 3.351 20 30 EGEDLO N#Cc1ccccc1/C=C\C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000255203382 1296508490 /nfs/dbraw/zinc/50/84/90/1296508490.db2.gz DBVMODLRYQBCKD-HJWRWDBZSA-N 1 2 347.418 3.042 20 30 EGEDLO COc1cccc(/C=[NH+]\C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1O ZINC000255888013 1296575036 /nfs/dbraw/zinc/57/50/36/1296575036.db2.gz QUJYZMMEFFDTSS-FAPYRAKZSA-N 1 2 348.443 3.467 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)c2ccc(F)cc2)C1 ZINC000586060689 1298046789 /nfs/dbraw/zinc/04/67/89/1298046789.db2.gz CLKMBBJDKDCIOC-IBGZPJMESA-N 1 2 337.398 3.092 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)c2ccc(F)cc2)C1 ZINC000586060689 1298046792 /nfs/dbraw/zinc/04/67/92/1298046792.db2.gz CLKMBBJDKDCIOC-IBGZPJMESA-N 1 2 337.398 3.092 20 30 EGEDLO N#CCOc1cccc(C[NH2+]Cc2ncc(Br)s2)c1 ZINC000714946583 1298274367 /nfs/dbraw/zinc/27/43/67/1298274367.db2.gz QVOQITCPLSGBON-UHFFFAOYSA-N 1 2 338.230 3.098 20 30 EGEDLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(F)cc2C#N)c1C ZINC000751553036 1299566422 /nfs/dbraw/zinc/56/64/22/1299566422.db2.gz KDHRNJXNUZWTET-UHFFFAOYSA-N 1 2 328.347 3.040 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1noc(-c2cccc(Cl)c2Cl)n1 ZINC000878676413 1300139081 /nfs/dbraw/zinc/13/90/81/1300139081.db2.gz RCYKSYOAYDNOBY-NEPJUHHUSA-N 1 2 340.210 3.477 20 30 EGEDLO N#CCOc1ccccc1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000754493374 1300150826 /nfs/dbraw/zinc/15/08/26/1300150826.db2.gz LTOFCMNJSMRVSD-UHFFFAOYSA-N 1 2 333.347 3.132 20 30 EGEDLO Cc1[nH+]c[nH]c1CN=Nc1nc(C)nc2sc3c(c21)CCCC3 ZINC000755521468 1300353194 /nfs/dbraw/zinc/35/31/94/1300353194.db2.gz QQNVFPPZQAZAEV-UHFFFAOYSA-N 1 2 326.429 3.356 20 30 EGEDLO CC(=[NH+]O[C@@H]1CCCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000755820487 1300402808 /nfs/dbraw/zinc/40/28/08/1300402808.db2.gz MRFYZLYIBQSSMM-QGZVFWFLSA-N 1 2 338.835 3.444 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC000879223548 1300435650 /nfs/dbraw/zinc/43/56/50/1300435650.db2.gz TYOQCZKKDWQDFP-WFASDCNBSA-N 1 2 333.407 3.185 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(C#N)ccc1F ZINC000879223548 1300435654 /nfs/dbraw/zinc/43/56/54/1300435654.db2.gz TYOQCZKKDWQDFP-WFASDCNBSA-N 1 2 333.407 3.185 20 30 EGEDLO C=CC[C@H](CO)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756786090 1300566483 /nfs/dbraw/zinc/56/64/83/1300566483.db2.gz IYWSQUHMZFUSHK-UWVGGRQHSA-N 1 2 332.213 3.129 20 30 EGEDLO CC(=NNc1nc2ccccc2c(=O)[nH]1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000757586284 1300688263 /nfs/dbraw/zinc/68/82/63/1300688263.db2.gz UNMPZKFWXFDTGV-UHFFFAOYSA-N 1 2 344.378 3.357 20 30 EGEDLO Brc1cncc(NN=Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000758129533 1300792429 /nfs/dbraw/zinc/79/24/29/1300792429.db2.gz IIDMLRKGZRUMRQ-UHFFFAOYSA-N 1 2 342.200 3.476 20 30 EGEDLO C=CCc1cc(OCC)cc(C[N@H+](C)[C@H](C)C(=O)OC(C)C)c1O ZINC000759755978 1301156798 /nfs/dbraw/zinc/15/67/98/1301156798.db2.gz SCSDVHVYTVTXJF-CQSZACIVSA-N 1 2 335.444 3.291 20 30 EGEDLO C=CCc1cc(OCC)cc(C[N@@H+](C)[C@H](C)C(=O)OC(C)C)c1O ZINC000759755978 1301156803 /nfs/dbraw/zinc/15/68/03/1301156803.db2.gz SCSDVHVYTVTXJF-CQSZACIVSA-N 1 2 335.444 3.291 20 30 EGEDLO Cc1cccc(CCCNc2ncc(C#N)cc2Br)[nH+]1 ZINC000882349360 1301930931 /nfs/dbraw/zinc/93/09/31/1301930931.db2.gz NDAKOSDPEYCIRD-UHFFFAOYSA-N 1 2 331.217 3.464 20 30 EGEDLO C#CCOc1ccccc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000769147357 1303055650 /nfs/dbraw/zinc/05/56/50/1303055650.db2.gz OGCDVUKQMNBDGA-UHFFFAOYSA-N 1 2 349.409 3.032 20 30 EGEDLO Cc1c(C(=O)/C=C/c2cccc3[nH+]ccn32)nnn1-c1ccc(C)cc1 ZINC000769608587 1303146531 /nfs/dbraw/zinc/14/65/31/1303146531.db2.gz VCYQNZAHHNVXDF-ZHACJKMWSA-N 1 2 343.390 3.428 20 30 EGEDLO C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)c2ccc(C(C)C)cc2)CC1 ZINC000772116040 1303489267 /nfs/dbraw/zinc/48/92/67/1303489267.db2.gz MVIDCOPQAXEDCH-INIZCTEOSA-N 1 2 341.451 3.270 20 30 EGEDLO C#C[C@@H](Cc1ccccc1)OC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000773837733 1303743985 /nfs/dbraw/zinc/74/39/85/1303743985.db2.gz VYFKHYRSVPXCBD-UWJYYQICSA-N 1 2 333.431 3.221 20 30 EGEDLO C#C[C@@H](Cc1ccccc1)OC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000773837733 1303743990 /nfs/dbraw/zinc/74/39/90/1303743990.db2.gz VYFKHYRSVPXCBD-UWJYYQICSA-N 1 2 333.431 3.221 20 30 EGEDLO C#C[C@H]([NH2+]Cc1csc(-c2ccc(OCC)cc2)n1)[C@H]1CCCO1 ZINC000775785276 1304036769 /nfs/dbraw/zinc/03/67/69/1304036769.db2.gz MWJQUNZGUGUAEU-ZWKOTPCHSA-N 1 2 342.464 3.479 20 30 EGEDLO C#C[C@H]([NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1)[C@H]1CCCO1 ZINC000775791532 1304038274 /nfs/dbraw/zinc/03/82/74/1304038274.db2.gz VWTQHYYSKUAHTF-XUVXKRRUSA-N 1 2 334.419 3.137 20 30 EGEDLO COCC1=CC[N@H+](CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)CC1 ZINC000775829532 1304045047 /nfs/dbraw/zinc/04/50/47/1304045047.db2.gz KYPTZURUWMXFPV-DEDYPNTBSA-N 1 2 340.467 3.146 20 30 EGEDLO COCC1=CC[N@@H+](CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)CC1 ZINC000775829532 1304045051 /nfs/dbraw/zinc/04/50/51/1304045051.db2.gz KYPTZURUWMXFPV-DEDYPNTBSA-N 1 2 340.467 3.146 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000779097860 1304528435 /nfs/dbraw/zinc/52/84/35/1304528435.db2.gz YPLXDNWVLAOMGA-IBGZPJMESA-N 1 2 345.402 3.387 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000779097860 1304528443 /nfs/dbraw/zinc/52/84/43/1304528443.db2.gz YPLXDNWVLAOMGA-IBGZPJMESA-N 1 2 345.402 3.387 20 30 EGEDLO CCc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)s1 ZINC000779340351 1304559184 /nfs/dbraw/zinc/55/91/84/1304559184.db2.gz IRLSIBPYMICSLQ-SWLSCSKDSA-N 1 2 335.473 3.159 20 30 EGEDLO Cc1cc(C=NNC2=[NH+]C[C@@H](C)N2)c(C)n1-c1ccc(Cl)cc1 ZINC000779793245 1304606175 /nfs/dbraw/zinc/60/61/75/1304606175.db2.gz YLHCDGZWEKGHHX-LLVKDONJSA-N 1 2 329.835 3.019 20 30 EGEDLO N#Cc1cccc(OCCO[NH+]=C(N)Cc2ccccc2Cl)c1 ZINC000782321882 1304953569 /nfs/dbraw/zinc/95/35/69/1304953569.db2.gz RQGYMALYCSHHOV-UHFFFAOYSA-N 1 2 329.787 3.332 20 30 EGEDLO NC(=[NH+]OCc1ccnc(Cl)c1)c1ccc(Br)cc1 ZINC000782950214 1305027406 /nfs/dbraw/zinc/02/74/06/1305027406.db2.gz SPCRBWYGGDZEBK-UHFFFAOYSA-N 1 2 340.608 3.335 20 30 EGEDLO NC(=[NH+]OCc1cnc(Cl)s1)c1ccc(Br)cc1 ZINC000782950138 1305027618 /nfs/dbraw/zinc/02/76/18/1305027618.db2.gz SBICSPNSYYZSGQ-UHFFFAOYSA-N 1 2 346.637 3.396 20 30 EGEDLO C[NH+](C)[C@H](CNc1ccc(C#N)cc1CO)c1c(F)cccc1F ZINC000892546793 1305434608 /nfs/dbraw/zinc/43/46/08/1305434608.db2.gz NZUBXPUMNWJTCY-QGZVFWFLSA-N 1 2 331.366 3.044 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccncc2)c(C)c1 ZINC000787718010 1305782992 /nfs/dbraw/zinc/78/29/92/1305782992.db2.gz UVXMLRMSEHUYCK-SFHVURJKSA-N 1 2 335.407 3.218 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccncc2)c(C)c1 ZINC000787718010 1305782998 /nfs/dbraw/zinc/78/29/98/1305782998.db2.gz UVXMLRMSEHUYCK-SFHVURJKSA-N 1 2 335.407 3.218 20 30 EGEDLO C=CCOCCCC(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788245068 1305906653 /nfs/dbraw/zinc/90/66/53/1305906653.db2.gz PZTUQVODQPGEAI-MRXNPFEDSA-N 1 2 345.487 3.414 20 30 EGEDLO C=CCOCCCC(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788245068 1305906661 /nfs/dbraw/zinc/90/66/61/1305906661.db2.gz PZTUQVODQPGEAI-MRXNPFEDSA-N 1 2 345.487 3.414 20 30 EGEDLO O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000790578670 1306356737 /nfs/dbraw/zinc/35/67/37/1306356737.db2.gz HOAKSEPIHYTKTQ-AWEZNQCLSA-N 1 2 347.340 3.186 20 30 EGEDLO CCC[N@@H+](Cc1ccc(C)cc1)Cn1nc(CC#N)n(C)c1=S ZINC000794621107 1309556761 /nfs/dbraw/zinc/55/67/61/1309556761.db2.gz UHYNWOAJMUPAPR-UHFFFAOYSA-N 1 2 329.473 3.195 20 30 EGEDLO CCC[N@H+](Cc1ccc(C)cc1)Cn1nc(CC#N)n(C)c1=S ZINC000794621107 1309556766 /nfs/dbraw/zinc/55/67/66/1309556766.db2.gz UHYNWOAJMUPAPR-UHFFFAOYSA-N 1 2 329.473 3.195 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 ZINC000794623827 1309559138 /nfs/dbraw/zinc/55/91/38/1309559138.db2.gz XMKJHAQTFDRWGD-LEWJYISDSA-N 1 2 345.446 3.006 20 30 EGEDLO COCCOc1ccc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)cc1 ZINC000794702545 1309578693 /nfs/dbraw/zinc/57/86/93/1309578693.db2.gz ZGMYPVQNLHGZFF-CMDGGOBGSA-N 1 2 346.452 3.126 20 30 EGEDLO C#CC[N@@H+](CC(=O)NC(=O)Nc1cccc(C)c1C)Cc1ccccc1 ZINC000796631826 1310050199 /nfs/dbraw/zinc/05/01/99/1310050199.db2.gz IZMUWWFESYPVMT-UHFFFAOYSA-N 1 2 349.434 3.087 20 30 EGEDLO C#CC[N@H+](CC(=O)NC(=O)Nc1cccc(C)c1C)Cc1ccccc1 ZINC000796631826 1310050208 /nfs/dbraw/zinc/05/02/08/1310050208.db2.gz IZMUWWFESYPVMT-UHFFFAOYSA-N 1 2 349.434 3.087 20 30 EGEDLO C=C(C)COc1cc(CN2CCc3c([nH+]cn3CC)C2)ccc1OC ZINC000897337343 1310297693 /nfs/dbraw/zinc/29/76/93/1310297693.db2.gz ZPMXZKNKRLEQAD-UHFFFAOYSA-N 1 2 341.455 3.425 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC000798276135 1310334304 /nfs/dbraw/zinc/33/43/04/1310334304.db2.gz YPECXYKMHREPNP-SJLPKXTDSA-N 1 2 341.455 3.413 20 30 EGEDLO CC(=[NH+]Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799113126 1310488492 /nfs/dbraw/zinc/48/84/92/1310488492.db2.gz JEBDMBQWJHEIIE-UHFFFAOYSA-N 1 2 333.279 3.060 20 30 EGEDLO C[C@@H](C#N)OCC[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000801939361 1316969810 /nfs/dbraw/zinc/96/98/10/1316969810.db2.gz SDNBTWPBMZUSFM-SWLSCSKDSA-N 1 2 328.334 3.007 20 30 EGEDLO C[C@@H](C#N)OCC[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000801939361 1316969814 /nfs/dbraw/zinc/96/98/14/1316969814.db2.gz SDNBTWPBMZUSFM-SWLSCSKDSA-N 1 2 328.334 3.007 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(C(F)F)cc2F)C1 ZINC000957038081 1317141786 /nfs/dbraw/zinc/14/17/86/1317141786.db2.gz BHFLCAYDUOREIC-UHFFFAOYSA-N 1 2 326.362 3.486 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cccc(OCC(C)C)c2)C1 ZINC000957367619 1317314995 /nfs/dbraw/zinc/31/49/95/1317314995.db2.gz VDOZUTXNKZBNIZ-UHFFFAOYSA-N 1 2 330.472 3.444 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)C1 ZINC000957409551 1317341443 /nfs/dbraw/zinc/34/14/43/1317341443.db2.gz ZLDLFDBCGFRPLZ-WBVHZDCISA-N 1 2 334.410 3.177 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](CN2CCN(Cc3cccc(Cl)c3)C2=O)C1 ZINC000902310467 1317561008 /nfs/dbraw/zinc/56/10/08/1317561008.db2.gz CZZYSMQSEYAGAX-HNNXBMFYSA-N 1 2 346.862 3.161 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](CN2CCN(Cc3cccc(Cl)c3)C2=O)C1 ZINC000902310467 1317561016 /nfs/dbraw/zinc/56/10/16/1317561016.db2.gz CZZYSMQSEYAGAX-HNNXBMFYSA-N 1 2 346.862 3.161 20 30 EGEDLO Cc1cc([N+](=O)[O-])ccc1N[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000807990580 1317608070 /nfs/dbraw/zinc/60/80/70/1317608070.db2.gz JHQSAHNTIKIVNI-UHFFFAOYSA-N 1 2 340.383 3.186 20 30 EGEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000808780792 1317732794 /nfs/dbraw/zinc/73/27/94/1317732794.db2.gz DBLIVIMBIGYUHY-GFCCVEGCSA-N 1 2 339.266 3.311 20 30 EGEDLO O=C([C@@H]1CCn2c[nH+]cc2C1)N(O)Cc1cc(Cl)cc(Cl)c1 ZINC000904179735 1317805128 /nfs/dbraw/zinc/80/51/28/1317805128.db2.gz BWKRCNKCKQCELC-LLVKDONJSA-N 1 2 340.210 3.170 20 30 EGEDLO O=C([C@@H]1CCc2[nH+]ccn2C1)N(O)Cc1cc(Cl)cc(Cl)c1 ZINC000904180947 1317805419 /nfs/dbraw/zinc/80/54/19/1317805419.db2.gz OLUHVTWNLZNBPH-LLVKDONJSA-N 1 2 340.210 3.170 20 30 EGEDLO Cc1ncsc1CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000809998269 1317934062 /nfs/dbraw/zinc/93/40/62/1317934062.db2.gz QDIHUXZVRWBMHG-UHFFFAOYSA-N 1 2 326.219 3.051 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000810034271 1317940309 /nfs/dbraw/zinc/94/03/09/1317940309.db2.gz SMHJLRKVIAHJLW-AWEZNQCLSA-N 1 2 345.281 3.418 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000810034271 1317940314 /nfs/dbraw/zinc/94/03/14/1317940314.db2.gz SMHJLRKVIAHJLW-AWEZNQCLSA-N 1 2 345.281 3.418 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000906610407 1318125119 /nfs/dbraw/zinc/12/51/19/1318125119.db2.gz MFHTYEPIRSRFPF-HKUYNNGSSA-N 1 2 343.471 3.059 20 30 EGEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1CC[C@@H](Cc2ccccc2)C1=O ZINC000811732380 1318242742 /nfs/dbraw/zinc/24/27/42/1318242742.db2.gz QRAMHIYXPRSGTO-FQEVSTJZSA-N 1 2 333.435 3.039 20 30 EGEDLO C[N@H+](Cc1cccc(C#N)c1)CN1CC[C@@H](Cc2ccccc2)C1=O ZINC000811732380 1318242749 /nfs/dbraw/zinc/24/27/49/1318242749.db2.gz QRAMHIYXPRSGTO-FQEVSTJZSA-N 1 2 333.435 3.039 20 30 EGEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1c(F)cccc1Cl ZINC000960498402 1318608631 /nfs/dbraw/zinc/60/86/31/1318608631.db2.gz CRYMHZOZPTZJPI-QWHCGFSZSA-N 1 2 337.826 3.062 20 30 EGEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1c(F)cccc1Cl ZINC000960498402 1318608635 /nfs/dbraw/zinc/60/86/35/1318608635.db2.gz CRYMHZOZPTZJPI-QWHCGFSZSA-N 1 2 337.826 3.062 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)C1(C)CCC1 ZINC000960794245 1318903340 /nfs/dbraw/zinc/90/33/40/1318903340.db2.gz YTDMSFXZNXMPEK-SFHVURJKSA-N 1 2 343.446 3.310 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)C1(C)CCC1 ZINC000960794245 1318903348 /nfs/dbraw/zinc/90/33/48/1318903348.db2.gz YTDMSFXZNXMPEK-SFHVURJKSA-N 1 2 343.446 3.310 20 30 EGEDLO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCn2cc[nH+]c2)cc1 ZINC000915352312 1319471597 /nfs/dbraw/zinc/47/15/97/1319471597.db2.gz JQCHLXUUVZLNKM-IBGZPJMESA-N 1 2 345.406 3.360 20 30 EGEDLO CC(=[NH+]N[C@@H](C)c1ccncc1)c1c(F)cccc1N1CCOCC1 ZINC000819814860 1319790083 /nfs/dbraw/zinc/79/00/83/1319790083.db2.gz GMNPPAVWZHORBC-AWEZNQCLSA-N 1 2 342.418 3.132 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NCCC(=O)N1CCCCCC1 ZINC000820645090 1319928001 /nfs/dbraw/zinc/92/80/01/1319928001.db2.gz OGZYYEUKSQOWRJ-UHFFFAOYSA-N 1 2 329.444 3.078 20 30 EGEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(SC(F)F)cc2)CC1 ZINC000824872810 1320293357 /nfs/dbraw/zinc/29/33/57/1320293357.db2.gz WPYVGDSDFGUFST-UHFFFAOYSA-N 1 2 340.395 3.280 20 30 EGEDLO C[C@H](CC(=O)OCc1cc(Br)cc(C#N)c1)n1cc[nH+]c1 ZINC000844502970 1321614016 /nfs/dbraw/zinc/61/40/16/1321614016.db2.gz CVLJQQFMYPVTFL-LLVKDONJSA-N 1 2 348.200 3.212 20 30 EGEDLO CCc1nocc1CO[NH+]=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000848507126 1321967964 /nfs/dbraw/zinc/96/79/64/1321967964.db2.gz HKGNPFAGUZMURD-UHFFFAOYSA-N 1 2 344.371 3.296 20 30 EGEDLO C[C@@H](CC(C)(C)C#N)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000851209891 1322355159 /nfs/dbraw/zinc/35/51/59/1322355159.db2.gz KUBOIYYHQSPLRJ-LBPRGKRZSA-N 1 2 342.355 3.266 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccco2)c1 ZINC001024303726 1323286709 /nfs/dbraw/zinc/28/67/09/1323286709.db2.gz RQDOGZAGLCZZQI-INIZCTEOSA-N 1 2 341.386 3.075 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@H]2CNC(=O)c2ccco2)c1 ZINC001024303726 1323286720 /nfs/dbraw/zinc/28/67/20/1323286720.db2.gz RQDOGZAGLCZZQI-INIZCTEOSA-N 1 2 341.386 3.075 20 30 EGEDLO Cc1ccncc1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001024377310 1323349097 /nfs/dbraw/zinc/34/90/97/1323349097.db2.gz PONGEXGMRGFRSD-IBGZPJMESA-N 1 2 348.450 3.046 20 30 EGEDLO Cc1ccncc1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001024377310 1323349100 /nfs/dbraw/zinc/34/91/00/1323349100.db2.gz PONGEXGMRGFRSD-IBGZPJMESA-N 1 2 348.450 3.046 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H]1CNC(=O)C1CC(C)(C)C1 ZINC001024425447 1323386363 /nfs/dbraw/zinc/38/63/63/1323386363.db2.gz ACGGDMJAZYUCJC-AWEZNQCLSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(=O)C1CC(C)(C)C1 ZINC001024425447 1323386368 /nfs/dbraw/zinc/38/63/68/1323386368.db2.gz ACGGDMJAZYUCJC-AWEZNQCLSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(OC)c(F)c1 ZINC001024488947 1323442144 /nfs/dbraw/zinc/44/21/44/1323442144.db2.gz YJNUNKOVKIYKHF-AWEZNQCLSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(OC)c(F)c1 ZINC001024488947 1323442147 /nfs/dbraw/zinc/44/21/47/1323442147.db2.gz YJNUNKOVKIYKHF-AWEZNQCLSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1nc(Cl)sc1C ZINC001024548094 1323488869 /nfs/dbraw/zinc/48/88/69/1323488869.db2.gz UOKNAXXHTCFNOJ-LLVKDONJSA-N 1 2 348.299 3.442 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1nc(Cl)sc1C ZINC001024548094 1323488871 /nfs/dbraw/zinc/48/88/71/1323488871.db2.gz UOKNAXXHTCFNOJ-LLVKDONJSA-N 1 2 348.299 3.442 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1Cc2ccccc2C1 ZINC001024674899 1323588459 /nfs/dbraw/zinc/58/84/59/1323588459.db2.gz DFQZIFFDTSMHOM-GOSISDBHSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)C1Cc2ccccc2C1 ZINC001024674899 1323588461 /nfs/dbraw/zinc/58/84/61/1323588461.db2.gz DFQZIFFDTSMHOM-GOSISDBHSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC001024712294 1323619358 /nfs/dbraw/zinc/61/93/58/1323619358.db2.gz TWZYUMGIPVYVKL-PBHICJAKSA-N 1 2 348.874 3.347 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC001024712294 1323619365 /nfs/dbraw/zinc/61/93/65/1323619365.db2.gz TWZYUMGIPVYVKL-PBHICJAKSA-N 1 2 348.874 3.347 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC001024791498 1323697853 /nfs/dbraw/zinc/69/78/53/1323697853.db2.gz ARXMTEURYKCQQH-OAHLLOKOSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC001024791498 1323697859 /nfs/dbraw/zinc/69/78/59/1323697859.db2.gz ARXMTEURYKCQQH-OAHLLOKOSA-N 1 2 328.790 3.302 20 30 EGEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@@H](N(C)c3ccccc3)C2)c1=S ZINC000853585267 1325129895 /nfs/dbraw/zinc/12/98/95/1325129895.db2.gz PNHXDCORSQZECE-QGZVFWFLSA-N 1 2 343.500 3.077 20 30 EGEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@@H](N(C)c3ccccc3)C2)c1=S ZINC000853585267 1325129902 /nfs/dbraw/zinc/12/99/02/1325129902.db2.gz PNHXDCORSQZECE-QGZVFWFLSA-N 1 2 343.500 3.077 20 30 EGEDLO C[N@H+](Cc1c(F)cccc1Cl)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027405581 1327631750 /nfs/dbraw/zinc/63/17/50/1327631750.db2.gz ISLITJPRGPVJQS-HNNXBMFYSA-N 1 2 348.849 3.315 20 30 EGEDLO C[N@@H+](Cc1c(F)cccc1Cl)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027405581 1327631757 /nfs/dbraw/zinc/63/17/57/1327631757.db2.gz ISLITJPRGPVJQS-HNNXBMFYSA-N 1 2 348.849 3.315 20 30 EGEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C[C@@H]1NC(=O)c1cccs1 ZINC000964834090 1327719407 /nfs/dbraw/zinc/71/94/07/1327719407.db2.gz GFKHDEPPROYAPU-WFASDCNBSA-N 1 2 345.493 3.322 20 30 EGEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1NC(=O)c1cccs1 ZINC000964834090 1327719410 /nfs/dbraw/zinc/71/94/10/1327719410.db2.gz GFKHDEPPROYAPU-WFASDCNBSA-N 1 2 345.493 3.322 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)CC[C@H]2C)o1 ZINC000964901633 1327759526 /nfs/dbraw/zinc/75/95/26/1327759526.db2.gz GLCZBXLGVMDIGM-MLGOLLRUSA-N 1 2 343.452 3.162 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)CC[C@H]2C)o1 ZINC000964901633 1327759530 /nfs/dbraw/zinc/75/95/30/1327759530.db2.gz GLCZBXLGVMDIGM-MLGOLLRUSA-N 1 2 343.452 3.162 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)[C@H](C)c2nc(C3CC3)no2)C1 ZINC001027521181 1327792804 /nfs/dbraw/zinc/79/28/04/1327792804.db2.gz ZMVQKWKCMJKQQJ-HIFRSBDPSA-N 1 2 346.475 3.143 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([N@H+](C)[C@H](C)c2nc(C3CC3)no2)C1 ZINC001027521181 1327792809 /nfs/dbraw/zinc/79/28/09/1327792809.db2.gz ZMVQKWKCMJKQQJ-HIFRSBDPSA-N 1 2 346.475 3.143 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)[C@@H](C)c2nc(C3CC3)no2)C1 ZINC001027521183 1327794515 /nfs/dbraw/zinc/79/45/15/1327794515.db2.gz ZMVQKWKCMJKQQJ-ZFWWWQNUSA-N 1 2 346.475 3.143 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([N@H+](C)[C@@H](C)c2nc(C3CC3)no2)C1 ZINC001027521183 1327794523 /nfs/dbraw/zinc/79/45/23/1327794523.db2.gz ZMVQKWKCMJKQQJ-ZFWWWQNUSA-N 1 2 346.475 3.143 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2(CC)CCC2)C1 ZINC001027533439 1327822085 /nfs/dbraw/zinc/82/20/85/1327822085.db2.gz KVBAFNPBCWNUCM-CQSZACIVSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)C2(CC)CCC2)C1 ZINC001027533439 1327822091 /nfs/dbraw/zinc/82/20/91/1327822091.db2.gz KVBAFNPBCWNUCM-CQSZACIVSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ncc(CC)o2)C1 ZINC001027560075 1327875557 /nfs/dbraw/zinc/87/55/57/1327875557.db2.gz PJJIGXYEYLBPEU-DNVCBOLYSA-N 1 2 333.476 3.262 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ncc(CC)o2)C1 ZINC001027560075 1327875565 /nfs/dbraw/zinc/87/55/65/1327875565.db2.gz PJJIGXYEYLBPEU-DNVCBOLYSA-N 1 2 333.476 3.262 20 30 EGEDLO Cc1ccoc1C(=O)N[C@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@@H]1C ZINC000965172784 1327905054 /nfs/dbraw/zinc/90/50/54/1327905054.db2.gz CKUTUIICYSYCGX-LPHOPBHVSA-N 1 2 336.435 3.080 20 30 EGEDLO Cc1ccoc1C(=O)N[C@H]1C[N@H+](CC#Cc2ccccc2)CC[C@@H]1C ZINC000965172784 1327905060 /nfs/dbraw/zinc/90/50/60/1327905060.db2.gz CKUTUIICYSYCGX-LPHOPBHVSA-N 1 2 336.435 3.080 20 30 EGEDLO C=C[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccon2)C1)c1ccccc1 ZINC001027691098 1328094664 /nfs/dbraw/zinc/09/46/64/1328094664.db2.gz UVLNERXSWOTFTP-RTBURBONSA-N 1 2 339.439 3.067 20 30 EGEDLO C=C[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccon2)C1)c1ccccc1 ZINC001027691098 1328094670 /nfs/dbraw/zinc/09/46/70/1328094670.db2.gz UVLNERXSWOTFTP-RTBURBONSA-N 1 2 339.439 3.067 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(C)c(F)cc2F)C1 ZINC000966903040 1328463761 /nfs/dbraw/zinc/46/37/61/1328463761.db2.gz ACQARXZBGQUIPW-QFYYESIMSA-N 1 2 342.817 3.466 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(C)c(F)cc2F)C1 ZINC000966903040 1328463765 /nfs/dbraw/zinc/46/37/65/1328463765.db2.gz ACQARXZBGQUIPW-QFYYESIMSA-N 1 2 342.817 3.466 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2ccsc2)C[C@H]1C ZINC000947000058 1332963626 /nfs/dbraw/zinc/96/36/26/1332963626.db2.gz FPGHYKNVHRMUQC-DGCLKSJQSA-N 1 2 343.290 3.239 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2ccsc2)C[C@H]1C ZINC000947000058 1332963630 /nfs/dbraw/zinc/96/36/30/1332963630.db2.gz FPGHYKNVHRMUQC-DGCLKSJQSA-N 1 2 343.290 3.239 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)cs1 ZINC000948915698 1333732479 /nfs/dbraw/zinc/73/24/79/1333732479.db2.gz CHSRMEIWXWQASU-SFHVURJKSA-N 1 2 338.476 3.409 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)cs1 ZINC000948915698 1333732484 /nfs/dbraw/zinc/73/24/84/1333732484.db2.gz CHSRMEIWXWQASU-SFHVURJKSA-N 1 2 338.476 3.409 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000948920256 1333734772 /nfs/dbraw/zinc/73/47/72/1333734772.db2.gz ZRFWQHMGCHCIFE-QUCCMNQESA-N 1 2 336.479 3.306 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000948920256 1333734775 /nfs/dbraw/zinc/73/47/75/1333734775.db2.gz ZRFWQHMGCHCIFE-QUCCMNQESA-N 1 2 336.479 3.306 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(Cl)cc1 ZINC000948983088 1333758601 /nfs/dbraw/zinc/75/86/01/1333758601.db2.gz WEZMASMRVRUCCK-IBGZPJMESA-N 1 2 338.838 3.302 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(Cl)cc1 ZINC000948983088 1333758605 /nfs/dbraw/zinc/75/86/05/1333758605.db2.gz WEZMASMRVRUCCK-IBGZPJMESA-N 1 2 338.838 3.302 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(CF)cc1 ZINC000948986713 1333760877 /nfs/dbraw/zinc/76/08/77/1333760877.db2.gz PIJGXLBSMILWSH-FQEVSTJZSA-N 1 2 336.410 3.119 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(CF)cc1 ZINC000948986713 1333760879 /nfs/dbraw/zinc/76/08/79/1333760879.db2.gz PIJGXLBSMILWSH-FQEVSTJZSA-N 1 2 336.410 3.119 20 30 EGEDLO C#Cc1ccc(C(=O)N2CC[NH+](Cc3cc(C)sc3C)CC2)cc1 ZINC000949597214 1333881212 /nfs/dbraw/zinc/88/12/12/1333881212.db2.gz OFPKCTWYAPLQNC-UHFFFAOYSA-N 1 2 338.476 3.304 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](Cc2cccc(COC)c2)CC1 ZINC000949635679 1333887120 /nfs/dbraw/zinc/88/71/20/1333887120.db2.gz JZZAKRDTCRXJPM-UHFFFAOYSA-N 1 2 330.472 3.080 20 30 EGEDLO C=C1CCC(C(=O)N2CC[NH+](CCOc3cccc(C)c3)CC2)CC1 ZINC000950047616 1334001560 /nfs/dbraw/zinc/00/15/60/1334001560.db2.gz ZYKMPNOUOHVABT-UHFFFAOYSA-N 1 2 342.483 3.264 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cn(C)c3ccc(F)cc23)C1 ZINC000950524730 1334084817 /nfs/dbraw/zinc/08/48/17/1334084817.db2.gz IBCRLMJKUOKCFA-UHFFFAOYSA-N 1 2 329.419 3.040 20 30 EGEDLO C=C(C)CC[NH+]1CC(N(CC)C(=O)c2scnc2C(F)(F)F)C1 ZINC000950531943 1334085556 /nfs/dbraw/zinc/08/55/56/1334085556.db2.gz QOFUULKILLAXOV-UHFFFAOYSA-N 1 2 347.406 3.274 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)C2CCc3ccccc3CC2)C1 ZINC000950687915 1334116856 /nfs/dbraw/zinc/11/68/56/1334116856.db2.gz VOGFIQLUJMBBAW-UHFFFAOYSA-N 1 2 326.484 3.290 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2c(Cl)cncc2Cl)C1 ZINC000951605786 1334278120 /nfs/dbraw/zinc/27/81/20/1334278120.db2.gz JYNFIZSYKKFHIO-UHFFFAOYSA-N 1 2 328.243 3.111 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cncc3sccc32)C1 ZINC000967995901 1335842163 /nfs/dbraw/zinc/84/21/63/1335842163.db2.gz PQZHTDBOLMJFDY-NHYWBVRUSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cncc3sccc32)C1 ZINC000967995901 1335842165 /nfs/dbraw/zinc/84/21/65/1335842165.db2.gz PQZHTDBOLMJFDY-NHYWBVRUSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cncc(F)c3)CC[C@H]2C)CC1 ZINC000968192788 1335868783 /nfs/dbraw/zinc/86/87/83/1335868783.db2.gz SOEQCGABZACPIA-DNVCBOLYSA-N 1 2 345.462 3.294 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cncc(F)c3)CC[C@H]2C)CC1 ZINC000968192788 1335868786 /nfs/dbraw/zinc/86/87/86/1335868786.db2.gz SOEQCGABZACPIA-DNVCBOLYSA-N 1 2 345.462 3.294 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cncc(F)c3)CC[C@@H]2C)CC1 ZINC000968192790 1335868853 /nfs/dbraw/zinc/86/88/53/1335868853.db2.gz SOEQCGABZACPIA-HNAYVOBHSA-N 1 2 345.462 3.294 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cncc(F)c3)CC[C@@H]2C)CC1 ZINC000968192790 1335868854 /nfs/dbraw/zinc/86/88/54/1335868854.db2.gz SOEQCGABZACPIA-HNAYVOBHSA-N 1 2 345.462 3.294 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC000968194594 1335868951 /nfs/dbraw/zinc/86/89/51/1335868951.db2.gz ZILMLGYHHQQMDC-QAPCUYQASA-N 1 2 334.891 3.425 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC000968194594 1335868955 /nfs/dbraw/zinc/86/89/55/1335868955.db2.gz ZILMLGYHHQQMDC-QAPCUYQASA-N 1 2 334.891 3.425 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC=C(Cl)Cl)CC[C@@H]2C)C1 ZINC000968275856 1335882970 /nfs/dbraw/zinc/88/29/70/1335882970.db2.gz TUTBTPZPPAEFKG-QWHCGFSZSA-N 1 2 331.287 3.488 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC=C(Cl)Cl)CC[C@@H]2C)C1 ZINC000968275856 1335882973 /nfs/dbraw/zinc/88/29/73/1335882973.db2.gz TUTBTPZPPAEFKG-QWHCGFSZSA-N 1 2 331.287 3.488 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC000968517114 1335950308 /nfs/dbraw/zinc/95/03/08/1335950308.db2.gz IISKJTRQPYGDOF-PXAZEXFGSA-N 1 2 335.879 3.086 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC000968517114 1335950313 /nfs/dbraw/zinc/95/03/13/1335950313.db2.gz IISKJTRQPYGDOF-PXAZEXFGSA-N 1 2 335.879 3.086 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(N(C)CC)cc2)C1 ZINC000968701485 1336017375 /nfs/dbraw/zinc/01/73/75/1336017375.db2.gz GVBPJDALCQLZCO-KSSFIOAISA-N 1 2 349.906 3.335 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(N(C)CC)cc2)C1 ZINC000968701485 1336017377 /nfs/dbraw/zinc/01/73/77/1336017377.db2.gz GVBPJDALCQLZCO-KSSFIOAISA-N 1 2 349.906 3.335 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(N(C)CC)cc2)C1 ZINC000968701486 1336017453 /nfs/dbraw/zinc/01/74/53/1336017453.db2.gz GVBPJDALCQLZCO-RDTXWAMCSA-N 1 2 349.906 3.335 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(N(C)CC)cc2)C1 ZINC000968701486 1336017455 /nfs/dbraw/zinc/01/74/55/1336017455.db2.gz GVBPJDALCQLZCO-RDTXWAMCSA-N 1 2 349.906 3.335 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cc(C2CC2)on1 ZINC000968971447 1336105174 /nfs/dbraw/zinc/10/51/74/1336105174.db2.gz LIVGOIIZCBVGLQ-CQSZACIVSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1cc(C2CC2)on1 ZINC000968971447 1336105176 /nfs/dbraw/zinc/10/51/76/1336105176.db2.gz LIVGOIIZCBVGLQ-CQSZACIVSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cc(C2CC2)no1 ZINC000969056474 1336131368 /nfs/dbraw/zinc/13/13/68/1336131368.db2.gz GMGFORPNDSRLJD-CQSZACIVSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1cc(C2CC2)no1 ZINC000969056474 1336131370 /nfs/dbraw/zinc/13/13/70/1336131370.db2.gz GMGFORPNDSRLJD-CQSZACIVSA-N 1 2 337.851 3.279 20 30 EGEDLO C=CCOc1ccccc1C(=O)N[C@H](C)C1C[NH+](CC(=C)Cl)C1 ZINC000969989711 1336269622 /nfs/dbraw/zinc/26/96/22/1336269622.db2.gz PKSUMRVSWQXACQ-CQSZACIVSA-N 1 2 334.847 3.054 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(Cl)cc2OC)C1 ZINC000970338608 1336295059 /nfs/dbraw/zinc/29/50/59/1336295059.db2.gz FSWCMWGYQVTPEM-NSHDSACASA-N 1 2 343.254 3.151 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2csc(C(C)(C)C)n2)C1 ZINC000970587538 1336324186 /nfs/dbraw/zinc/32/41/86/1336324186.db2.gz VXDJGFUENQSCST-NSHDSACASA-N 1 2 341.908 3.243 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)c(C)o1 ZINC001006703956 1336559477 /nfs/dbraw/zinc/55/94/77/1336559477.db2.gz NISBESOZARWRQV-SFHVURJKSA-N 1 2 337.423 3.163 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)c(C)o1 ZINC001006703956 1336559479 /nfs/dbraw/zinc/55/94/79/1336559479.db2.gz NISBESOZARWRQV-SFHVURJKSA-N 1 2 337.423 3.163 20 30 EGEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]([C@@H](C)Nc3cc[nH+]c(C)n3)C2)cc1 ZINC001063899543 1352075074 /nfs/dbraw/zinc/07/50/74/1352075074.db2.gz GBGMOEXZLQAWAZ-DNVCBOLYSA-N 1 2 348.450 3.119 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2cccc3cnccc32)C1 ZINC001007652371 1336684556 /nfs/dbraw/zinc/68/45/56/1336684556.db2.gz WSINNFFLVILGFC-KRWDZBQOSA-N 1 2 343.858 3.110 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2cccc3cnccc32)C1 ZINC001007652371 1336684560 /nfs/dbraw/zinc/68/45/60/1336684560.db2.gz WSINNFFLVILGFC-KRWDZBQOSA-N 1 2 343.858 3.110 20 30 EGEDLO CC1(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)CCCC1 ZINC001008105339 1336770592 /nfs/dbraw/zinc/77/05/92/1336770592.db2.gz WWAVRWHOSFLKGE-IBGZPJMESA-N 1 2 342.458 3.338 20 30 EGEDLO CC1(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)CCCC1 ZINC001008105339 1336770596 /nfs/dbraw/zinc/77/05/96/1336770596.db2.gz WWAVRWHOSFLKGE-IBGZPJMESA-N 1 2 342.458 3.338 20 30 EGEDLO CC1(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)CCCC1 ZINC001008104644 1336770775 /nfs/dbraw/zinc/77/07/75/1336770775.db2.gz SNMVEQCORSYTFU-KRWDZBQOSA-N 1 2 343.446 3.358 20 30 EGEDLO CC1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)CCCC1 ZINC001008104644 1336770777 /nfs/dbraw/zinc/77/07/77/1336770777.db2.gz SNMVEQCORSYTFU-KRWDZBQOSA-N 1 2 343.446 3.358 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001008207520 1336793402 /nfs/dbraw/zinc/79/34/02/1336793402.db2.gz IBIJYDTXYPOMKX-IRXDYDNUSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001008207520 1336793404 /nfs/dbraw/zinc/79/34/04/1336793404.db2.gz IBIJYDTXYPOMKX-IRXDYDNUSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@@]1(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)C=CCC1 ZINC001008231982 1336800131 /nfs/dbraw/zinc/80/01/31/1336800131.db2.gz QITLIPMJVVUYSA-FXAWDEMLSA-N 1 2 341.430 3.134 20 30 EGEDLO C[C@@]1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)C=CCC1 ZINC001008231982 1336800134 /nfs/dbraw/zinc/80/01/34/1336800134.db2.gz QITLIPMJVVUYSA-FXAWDEMLSA-N 1 2 341.430 3.134 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001008258228 1336806133 /nfs/dbraw/zinc/80/61/33/1336806133.db2.gz SIVHDNKVAWMOFF-OALUTQOASA-N 1 2 342.458 3.194 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001008258228 1336806135 /nfs/dbraw/zinc/80/61/35/1336806135.db2.gz SIVHDNKVAWMOFF-OALUTQOASA-N 1 2 342.458 3.194 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001008258932 1336806356 /nfs/dbraw/zinc/80/63/56/1336806356.db2.gz UBHHDAUREHHQLG-IRXDYDNUSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001008258932 1336806359 /nfs/dbraw/zinc/80/63/59/1336806359.db2.gz UBHHDAUREHHQLG-IRXDYDNUSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2c(C)cc(C)cc2C)C1 ZINC001008395052 1336841821 /nfs/dbraw/zinc/84/18/21/1336841821.db2.gz QVRQWDNLXDVDJX-QGZVFWFLSA-N 1 2 334.891 3.487 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2c(C)cc(C)cc2C)C1 ZINC001008395052 1336841824 /nfs/dbraw/zinc/84/18/24/1336841824.db2.gz QVRQWDNLXDVDJX-QGZVFWFLSA-N 1 2 334.891 3.487 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)C1 ZINC001008657659 1336905032 /nfs/dbraw/zinc/90/50/32/1336905032.db2.gz IJZDWEHRMNNKTK-HNNXBMFYSA-N 1 2 349.837 3.183 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)C1 ZINC001008657659 1336905033 /nfs/dbraw/zinc/90/50/33/1336905033.db2.gz IJZDWEHRMNNKTK-HNNXBMFYSA-N 1 2 349.837 3.183 20 30 EGEDLO Cc1cscc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010473810 1337203411 /nfs/dbraw/zinc/20/34/11/1337203411.db2.gz USKPHIZVPUBQJD-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1cscc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010473810 1337203413 /nfs/dbraw/zinc/20/34/13/1337203413.db2.gz USKPHIZVPUBQJD-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1sccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001014364168 1337754152 /nfs/dbraw/zinc/75/41/52/1337754152.db2.gz SOMVJWZMVHQSIA-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1sccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001014364168 1337754154 /nfs/dbraw/zinc/75/41/54/1337754154.db2.gz SOMVJWZMVHQSIA-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2cc3c(o2)CCCC3)C1 ZINC001014683087 1337869741 /nfs/dbraw/zinc/86/97/41/1337869741.db2.gz RXAZAMFTKBLEGY-GOSISDBHSA-N 1 2 349.434 3.034 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2cc3c(o2)CCCC3)C1 ZINC001014683087 1337869747 /nfs/dbraw/zinc/86/97/47/1337869747.db2.gz RXAZAMFTKBLEGY-GOSISDBHSA-N 1 2 349.434 3.034 20 30 EGEDLO CC(C)c1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)n1 ZINC001015138941 1338030012 /nfs/dbraw/zinc/03/00/12/1338030012.db2.gz VCNWJPDBARPTKL-SFHVURJKSA-N 1 2 348.450 3.081 20 30 EGEDLO CC(C)c1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC001015138941 1338030013 /nfs/dbraw/zinc/03/00/13/1338030013.db2.gz VCNWJPDBARPTKL-SFHVURJKSA-N 1 2 348.450 3.081 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2c(F)cccc2F)C1 ZINC001015273961 1338081398 /nfs/dbraw/zinc/08/13/98/1338081398.db2.gz IWCQIQUPIBIXBH-RYUDHWBXSA-N 1 2 328.790 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2c(F)cccc2F)C1 ZINC001015273961 1338081401 /nfs/dbraw/zinc/08/14/01/1338081401.db2.gz IWCQIQUPIBIXBH-RYUDHWBXSA-N 1 2 328.790 3.011 20 30 EGEDLO CC(C)(C(=O)N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)C1CC1 ZINC001015586734 1338194926 /nfs/dbraw/zinc/19/49/26/1338194926.db2.gz YFPGTICMRLYPLY-GOSISDBHSA-N 1 2 344.886 3.318 20 30 EGEDLO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)C1CC1 ZINC001015586734 1338194929 /nfs/dbraw/zinc/19/49/29/1338194929.db2.gz YFPGTICMRLYPLY-GOSISDBHSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nc4ccccc4o3)C2)CC1 ZINC001015659896 1338238953 /nfs/dbraw/zinc/23/89/53/1338238953.db2.gz NEVACWAOBLGHDD-INIZCTEOSA-N 1 2 339.439 3.265 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nc4ccccc4o3)C2)CC1 ZINC001015659896 1338238959 /nfs/dbraw/zinc/23/89/59/1338238959.db2.gz NEVACWAOBLGHDD-INIZCTEOSA-N 1 2 339.439 3.265 20 30 EGEDLO CC1(C)CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)C1 ZINC001015669522 1338246195 /nfs/dbraw/zinc/24/61/95/1338246195.db2.gz CGFRNYAFNIHTGD-RDJZCZTQSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)C1 ZINC001015669522 1338246200 /nfs/dbraw/zinc/24/62/00/1338246200.db2.gz CGFRNYAFNIHTGD-RDJZCZTQSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCc3ccccc3C2)C1 ZINC001016101371 1338463106 /nfs/dbraw/zinc/46/31/06/1338463106.db2.gz OOJFPVPIOHPSDM-QAPCUYQASA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCc3ccccc3C2)C1 ZINC001016101371 1338463109 /nfs/dbraw/zinc/46/31/09/1338463109.db2.gz OOJFPVPIOHPSDM-QAPCUYQASA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2cccc(Cl)c2)C1 ZINC001016309134 1338542994 /nfs/dbraw/zinc/54/29/94/1338542994.db2.gz UFXWHIMKKGILPB-WFASDCNBSA-N 1 2 327.255 3.387 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2cccc(Cl)c2)C1 ZINC001016309134 1338542995 /nfs/dbraw/zinc/54/29/95/1338542995.db2.gz UFXWHIMKKGILPB-WFASDCNBSA-N 1 2 327.255 3.387 20 30 EGEDLO CCc1ccsc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001016328422 1338551203 /nfs/dbraw/zinc/55/12/03/1338551203.db2.gz VRMHABKRRDAONB-CYBMUJFWSA-N 1 2 345.493 3.248 20 30 EGEDLO CCc1ccsc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001016328422 1338551207 /nfs/dbraw/zinc/55/12/07/1338551207.db2.gz VRMHABKRRDAONB-CYBMUJFWSA-N 1 2 345.493 3.248 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC001016395544 1338588817 /nfs/dbraw/zinc/58/88/17/1338588817.db2.gz NMVGMBDIKHVHLO-OAHLLOKOSA-N 1 2 329.831 3.238 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC001016395544 1338588820 /nfs/dbraw/zinc/58/88/20/1338588820.db2.gz NMVGMBDIKHVHLO-OAHLLOKOSA-N 1 2 329.831 3.238 20 30 EGEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)oc1C(F)(F)F ZINC001018007456 1339480435 /nfs/dbraw/zinc/48/04/35/1339480435.db2.gz ODVDNTZPZYKNMH-TXEJJXNPSA-N 1 2 328.334 3.082 20 30 EGEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)oc1C(F)(F)F ZINC001018007456 1339480436 /nfs/dbraw/zinc/48/04/36/1339480436.db2.gz ODVDNTZPZYKNMH-TXEJJXNPSA-N 1 2 328.334 3.082 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2C2CCC2)c1 ZINC001018049043 1339490341 /nfs/dbraw/zinc/49/03/41/1339490341.db2.gz QIBTVEZTOVSKGR-JSXRDJHFSA-N 1 2 349.478 3.170 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2C2CCC2)c1 ZINC001018049043 1339490342 /nfs/dbraw/zinc/49/03/42/1339490342.db2.gz QIBTVEZTOVSKGR-JSXRDJHFSA-N 1 2 349.478 3.170 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001028080129 1340412656 /nfs/dbraw/zinc/41/26/56/1340412656.db2.gz UASYYXRZQLQJJI-ROUUACIJSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001028080129 1340412658 /nfs/dbraw/zinc/41/26/58/1340412658.db2.gz UASYYXRZQLQJJI-ROUUACIJSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)c(F)c1F ZINC001028107371 1340430988 /nfs/dbraw/zinc/43/09/88/1340430988.db2.gz POAMQEWRZJXUDV-SNVBAGLBSA-N 1 2 332.753 3.051 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)c(F)c1F ZINC001028107371 1340430991 /nfs/dbraw/zinc/43/09/91/1340430991.db2.gz POAMQEWRZJXUDV-SNVBAGLBSA-N 1 2 332.753 3.051 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)c(OC)c1 ZINC001028179994 1340470326 /nfs/dbraw/zinc/47/03/26/1340470326.db2.gz SXHZLCZMXCEGPQ-ZDUSSCGKSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)c(OC)c1 ZINC001028179994 1340470328 /nfs/dbraw/zinc/47/03/28/1340470328.db2.gz SXHZLCZMXCEGPQ-ZDUSSCGKSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2cn[nH]c2)cc1 ZINC001028202133 1340481292 /nfs/dbraw/zinc/48/12/92/1340481292.db2.gz RFXVPBRBPAKDML-KRWDZBQOSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2cn[nH]c2)cc1 ZINC001028202133 1340481295 /nfs/dbraw/zinc/48/12/95/1340481295.db2.gz RFXVPBRBPAKDML-KRWDZBQOSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1coc(C2CCCC2)n1 ZINC001028231388 1340495035 /nfs/dbraw/zinc/49/50/35/1340495035.db2.gz MFXWPYOKTCXMPU-CQSZACIVSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1coc(C2CCCC2)n1 ZINC001028231388 1340495038 /nfs/dbraw/zinc/49/50/38/1340495038.db2.gz MFXWPYOKTCXMPU-CQSZACIVSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+](C/C(Cl)=C\Cl)C2)CC1 ZINC001028779951 1340811431 /nfs/dbraw/zinc/81/14/31/1340811431.db2.gz CDJMMWIZUHZHMR-MGMWDDNKSA-N 1 2 331.287 3.490 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+](C/C(Cl)=C\Cl)C2)CC1 ZINC001028779951 1340811435 /nfs/dbraw/zinc/81/14/35/1340811435.db2.gz CDJMMWIZUHZHMR-MGMWDDNKSA-N 1 2 331.287 3.490 20 30 EGEDLO CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1)C1CC1 ZINC001029434413 1340990012 /nfs/dbraw/zinc/99/00/12/1340990012.db2.gz ZJIFFDNNZWYHHV-BGYRXZFFSA-N 1 2 336.479 3.150 20 30 EGEDLO CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1)C1CC1 ZINC001029434413 1340990013 /nfs/dbraw/zinc/99/00/13/1340990013.db2.gz ZJIFFDNNZWYHHV-BGYRXZFFSA-N 1 2 336.479 3.150 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C#N)s2)C1 ZINC001029500203 1341001654 /nfs/dbraw/zinc/00/16/54/1341001654.db2.gz AKLZFKRUZFMINJ-YHUYYLMFSA-N 1 2 343.496 3.231 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)s2)C1 ZINC001029500203 1341001655 /nfs/dbraw/zinc/00/16/55/1341001655.db2.gz AKLZFKRUZFMINJ-YHUYYLMFSA-N 1 2 343.496 3.231 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC(C[N@@H+](C)[C@@H](C)c2noc(C)n2)CC1 ZINC001029983053 1341143847 /nfs/dbraw/zinc/14/38/47/1341143847.db2.gz UHGFUSIRJAKLPS-AWEZNQCLSA-N 1 2 348.491 3.212 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC(C[N@H+](C)[C@@H](C)c2noc(C)n2)CC1 ZINC001029983053 1341143848 /nfs/dbraw/zinc/14/38/48/1341143848.db2.gz UHGFUSIRJAKLPS-AWEZNQCLSA-N 1 2 348.491 3.212 20 30 EGEDLO C=C1CCC(C(=O)NC2C[NH+](CC[C@H]3CC3(Cl)Cl)C2)CC1 ZINC001030903575 1341246571 /nfs/dbraw/zinc/24/65/71/1341246571.db2.gz LSFKSOMSBDGHNA-ZDUSSCGKSA-N 1 2 331.287 3.117 20 30 EGEDLO C=C1CC(C)(C(=O)NC2C[NH+](CCCc3ccccc3Cl)C2)C1 ZINC001030924352 1341250988 /nfs/dbraw/zinc/25/09/88/1341250988.db2.gz OJMYPGFVOHADBG-UHFFFAOYSA-N 1 2 332.875 3.429 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)C1 ZINC001031836754 1341409508 /nfs/dbraw/zinc/40/95/08/1341409508.db2.gz QHRHPJLMUWDQDR-QZTJIDSGSA-N 1 2 332.875 3.371 20 30 EGEDLO CCCc1ccc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)cc1 ZINC001031936887 1341425755 /nfs/dbraw/zinc/42/57/55/1341425755.db2.gz MGKYDPFAYSZLNA-UHFFFAOYSA-N 1 2 346.474 3.352 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001031955776 1341431367 /nfs/dbraw/zinc/43/13/67/1341431367.db2.gz PMWKXLPTPZCVPV-IEBWSBKVSA-N 1 2 344.886 3.176 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001031956470 1341431423 /nfs/dbraw/zinc/43/14/23/1341431423.db2.gz RMQVRJWDHXGXEC-IEBWSBKVSA-N 1 2 344.886 3.176 20 30 EGEDLO Cc1csc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)c1 ZINC001032393032 1341506186 /nfs/dbraw/zinc/50/61/86/1341506186.db2.gz IZIJERRWETYDFP-IRXDYDNUSA-N 1 2 337.448 3.027 20 30 EGEDLO Cc1csc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)c1 ZINC001032393032 1341506188 /nfs/dbraw/zinc/50/61/88/1341506188.db2.gz IZIJERRWETYDFP-IRXDYDNUSA-N 1 2 337.448 3.027 20 30 EGEDLO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCc2ccc(Cl)cc21 ZINC001032396631 1341506626 /nfs/dbraw/zinc/50/66/26/1341506626.db2.gz AZFPLCRGDQFSKS-JENIJYKNSA-N 1 2 340.854 3.026 20 30 EGEDLO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCc2ccc(Cl)cc21 ZINC001032396631 1341506627 /nfs/dbraw/zinc/50/66/27/1341506627.db2.gz AZFPLCRGDQFSKS-JENIJYKNSA-N 1 2 340.854 3.026 20 30 EGEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H](C)c2ccccc2F)cc1 ZINC001032555217 1341539143 /nfs/dbraw/zinc/53/91/43/1341539143.db2.gz DOUZWPXQEFEIKR-MNEFBYGVSA-N 1 2 348.421 3.467 20 30 EGEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H](C)c2ccccc2F)cc1 ZINC001032555217 1341539147 /nfs/dbraw/zinc/53/91/47/1341539147.db2.gz DOUZWPXQEFEIKR-MNEFBYGVSA-N 1 2 348.421 3.467 20 30 EGEDLO CC1(C)CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032573760 1341546064 /nfs/dbraw/zinc/54/60/64/1341546064.db2.gz SBOITTJQAZNFQT-GBESFXJTSA-N 1 2 337.467 3.170 20 30 EGEDLO CC1(C)CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032573760 1341546065 /nfs/dbraw/zinc/54/60/65/1341546065.db2.gz SBOITTJQAZNFQT-GBESFXJTSA-N 1 2 337.467 3.170 20 30 EGEDLO CN(C(=O)c1ccoc1)[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001032911502 1341663081 /nfs/dbraw/zinc/66/30/81/1341663081.db2.gz YSYJWYWNMUYTSI-GOSISDBHSA-N 1 2 342.826 3.131 20 30 EGEDLO CN(C(=O)c1ccoc1)[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001032911502 1341663082 /nfs/dbraw/zinc/66/30/82/1341663082.db2.gz YSYJWYWNMUYTSI-GOSISDBHSA-N 1 2 342.826 3.131 20 30 EGEDLO CN(C(=O)c1sccc1F)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033059838 1341711360 /nfs/dbraw/zinc/71/13/60/1341711360.db2.gz YMYXOMVKIAYUTE-LLVKDONJSA-N 1 2 349.456 3.167 20 30 EGEDLO CN(C(=O)c1sccc1F)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033059838 1341711361 /nfs/dbraw/zinc/71/13/61/1341711361.db2.gz YMYXOMVKIAYUTE-LLVKDONJSA-N 1 2 349.456 3.167 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2c(F)ccc3ccncc32)C1 ZINC001033102136 1341723411 /nfs/dbraw/zinc/72/34/11/1341723411.db2.gz MTHVFHRBWMRYMI-CQSZACIVSA-N 1 2 347.821 3.273 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c(F)ccc3ccncc32)C1 ZINC001033102136 1341723412 /nfs/dbraw/zinc/72/34/12/1341723412.db2.gz MTHVFHRBWMRYMI-CQSZACIVSA-N 1 2 347.821 3.273 20 30 EGEDLO C=CCOc1ccccc1C(=O)N(C)[C@@H]1CC[N@H+](CC(=C)Cl)C1 ZINC001033205676 1341752263 /nfs/dbraw/zinc/75/22/63/1341752263.db2.gz ZOLLGCNKDIMIPP-OAHLLOKOSA-N 1 2 334.847 3.150 20 30 EGEDLO C=CCOc1ccccc1C(=O)N(C)[C@@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001033205676 1341752265 /nfs/dbraw/zinc/75/22/65/1341752265.db2.gz ZOLLGCNKDIMIPP-OAHLLOKOSA-N 1 2 334.847 3.150 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2cccc(C)c2Cl)C1 ZINC001033262382 1341762451 /nfs/dbraw/zinc/76/24/51/1341762451.db2.gz PHBUQNJRHOXDQL-OAHLLOKOSA-N 1 2 341.282 3.476 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cccc(C)c2Cl)C1 ZINC001033262382 1341762452 /nfs/dbraw/zinc/76/24/52/1341762452.db2.gz PHBUQNJRHOXDQL-OAHLLOKOSA-N 1 2 341.282 3.476 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2cc(F)c(C)cc2F)C1 ZINC001033289783 1341768538 /nfs/dbraw/zinc/76/85/38/1341768538.db2.gz LRULWECMRIJIRZ-AWEZNQCLSA-N 1 2 342.817 3.101 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2cc(F)c(C)cc2F)C1 ZINC001033289783 1341768540 /nfs/dbraw/zinc/76/85/40/1341768540.db2.gz LRULWECMRIJIRZ-AWEZNQCLSA-N 1 2 342.817 3.101 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C2(C3CC3)CCC2)C1 ZINC001033305022 1341774431 /nfs/dbraw/zinc/77/44/31/1341774431.db2.gz TURYSHUSDFQTRT-AWEZNQCLSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C2(C3CC3)CCC2)C1 ZINC001033305022 1341774432 /nfs/dbraw/zinc/77/44/32/1341774432.db2.gz TURYSHUSDFQTRT-AWEZNQCLSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001033343990 1341788913 /nfs/dbraw/zinc/78/89/13/1341788913.db2.gz OQMCFBOWZVBWRL-SWLSCSKDSA-N 1 2 334.847 3.081 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001033343990 1341788915 /nfs/dbraw/zinc/78/89/15/1341788915.db2.gz OQMCFBOWZVBWRL-SWLSCSKDSA-N 1 2 334.847 3.081 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ncc(C4CC4)o3)C2)CC1 ZINC001033389943 1341808662 /nfs/dbraw/zinc/80/86/62/1341808662.db2.gz XKWRVEZVNXYHJE-QGZVFWFLSA-N 1 2 343.471 3.331 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ncc(C4CC4)o3)C2)CC1 ZINC001033389943 1341808664 /nfs/dbraw/zinc/80/86/64/1341808664.db2.gz XKWRVEZVNXYHJE-QGZVFWFLSA-N 1 2 343.471 3.331 20 30 EGEDLO CN(C(=O)c1occc1Cl)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033390337 1341809446 /nfs/dbraw/zinc/80/94/46/1341809446.db2.gz CQLLJLGFHXQZOV-MRXNPFEDSA-N 1 2 342.826 3.131 20 30 EGEDLO CN(C(=O)c1occc1Cl)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033390337 1341809447 /nfs/dbraw/zinc/80/94/47/1341809447.db2.gz CQLLJLGFHXQZOV-MRXNPFEDSA-N 1 2 342.826 3.131 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C(C)C)nc2C)C1 ZINC001033428882 1341822072 /nfs/dbraw/zinc/82/20/72/1341822072.db2.gz GXDLDNYJUONTSF-OAHLLOKOSA-N 1 2 335.879 3.412 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C(C)C)nc2C)C1 ZINC001033428882 1341822074 /nfs/dbraw/zinc/82/20/74/1341822074.db2.gz GXDLDNYJUONTSF-OAHLLOKOSA-N 1 2 335.879 3.412 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)C2CCCC2)C1 ZINC001033574036 1341879673 /nfs/dbraw/zinc/87/96/73/1341879673.db2.gz LGHJDRRDLPXLJI-DZGCQCFKSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)C2CCCC2)C1 ZINC001033574036 1341879674 /nfs/dbraw/zinc/87/96/74/1341879674.db2.gz LGHJDRRDLPXLJI-DZGCQCFKSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc3cnccc32)C1 ZINC001033655825 1341932184 /nfs/dbraw/zinc/93/21/84/1341932184.db2.gz KLALENROYIGSKH-OAHLLOKOSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3cnccc32)C1 ZINC001033655825 1341932185 /nfs/dbraw/zinc/93/21/85/1341932185.db2.gz KLALENROYIGSKH-OAHLLOKOSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C2CCC=CCC2)C1 ZINC001033674467 1341940481 /nfs/dbraw/zinc/94/04/81/1341940481.db2.gz MIMSPGUFDSSSBC-OAHLLOKOSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CCC=CCC2)C1 ZINC001033674467 1341940484 /nfs/dbraw/zinc/94/04/84/1341940484.db2.gz MIMSPGUFDSSSBC-OAHLLOKOSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C23CC(C(F)(F)F)(C2)C3)C1 ZINC001033690977 1341954687 /nfs/dbraw/zinc/95/46/87/1341954687.db2.gz JRCCWGUZIKZTKJ-LMWSTFAQSA-N 1 2 336.785 3.004 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C23CC(C(F)(F)F)(C2)C3)C1 ZINC001033690977 1341954689 /nfs/dbraw/zinc/95/46/89/1341954689.db2.gz JRCCWGUZIKZTKJ-LMWSTFAQSA-N 1 2 336.785 3.004 20 30 EGEDLO CCN(C(=O)C1CC(C)C1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033789121 1342007479 /nfs/dbraw/zinc/00/74/79/1342007479.db2.gz LYUBLSSOLZRTTQ-GSQSYGFSSA-N 1 2 343.446 3.166 20 30 EGEDLO CCN(C(=O)C1CC(C)C1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033789121 1342007481 /nfs/dbraw/zinc/00/74/81/1342007481.db2.gz LYUBLSSOLZRTTQ-GSQSYGFSSA-N 1 2 343.446 3.166 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cccc(F)c2F)C1 ZINC001033938319 1342100633 /nfs/dbraw/zinc/10/06/33/1342100633.db2.gz VJUKBBLQFNQKSV-LBPRGKRZSA-N 1 2 328.790 3.254 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(F)c2F)C1 ZINC001033938319 1342100636 /nfs/dbraw/zinc/10/06/36/1342100636.db2.gz VJUKBBLQFNQKSV-LBPRGKRZSA-N 1 2 328.790 3.254 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@H+](Cc3ncc(CC)o3)C2)CC1 ZINC001033945546 1342106760 /nfs/dbraw/zinc/10/67/60/1342106760.db2.gz NOXGEQWDTUBGMD-KRWDZBQOSA-N 1 2 345.487 3.406 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](Cc3ncc(CC)o3)C2)CC1 ZINC001033945546 1342106761 /nfs/dbraw/zinc/10/67/61/1342106761.db2.gz NOXGEQWDTUBGMD-KRWDZBQOSA-N 1 2 345.487 3.406 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@@H+]([C@H](C)c3ncccn3)C2)CC1 ZINC001033950520 1342109951 /nfs/dbraw/zinc/10/99/51/1342109951.db2.gz PJVSGBXDEJAHGN-AEFFLSMTSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@H+]([C@H](C)c3ncccn3)C2)CC1 ZINC001033950520 1342109952 /nfs/dbraw/zinc/10/99/52/1342109952.db2.gz PJVSGBXDEJAHGN-AEFFLSMTSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC23CCC3)C1 ZINC001033968513 1342120094 /nfs/dbraw/zinc/12/00/94/1342120094.db2.gz NQLCSLXUTPUNIF-KBPBESRZSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC23CCC3)C1 ZINC001033968513 1342120095 /nfs/dbraw/zinc/12/00/95/1342120095.db2.gz NQLCSLXUTPUNIF-KBPBESRZSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c(c2)C[C@H](C)O3)C1 ZINC001033991019 1342134369 /nfs/dbraw/zinc/13/43/69/1342134369.db2.gz DCVLZGWKDWDDSZ-WMLDXEAASA-N 1 2 348.874 3.299 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c(c2)C[C@H](C)O3)C1 ZINC001033991019 1342134371 /nfs/dbraw/zinc/13/43/71/1342134371.db2.gz DCVLZGWKDWDDSZ-WMLDXEAASA-N 1 2 348.874 3.299 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cn(C(C)C)nc2C)C1 ZINC001034013562 1342151114 /nfs/dbraw/zinc/15/11/14/1342151114.db2.gz DPWFOWVXTRBWRR-OAHLLOKOSA-N 1 2 338.883 3.061 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cn(C(C)C)nc2C)C1 ZINC001034013562 1342151116 /nfs/dbraw/zinc/15/11/16/1342151116.db2.gz DPWFOWVXTRBWRR-OAHLLOKOSA-N 1 2 338.883 3.061 20 30 EGEDLO CC(C)C(=O)N[C@H]1CCCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001034115970 1342250454 /nfs/dbraw/zinc/25/04/54/1342250454.db2.gz YGTHOJXPUPFVPN-KRWDZBQOSA-N 1 2 332.875 3.318 20 30 EGEDLO CC(C)C(=O)N[C@H]1CCCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001034115970 1342250456 /nfs/dbraw/zinc/25/04/56/1342250456.db2.gz YGTHOJXPUPFVPN-KRWDZBQOSA-N 1 2 332.875 3.318 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)C2(F)CCCC2)C1 ZINC001034278959 1342368676 /nfs/dbraw/zinc/36/86/76/1342368676.db2.gz HHCXCBIJWOZGRJ-CYBMUJFWSA-N 1 2 347.272 3.148 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)C2(F)CCCC2)C1 ZINC001034278959 1342368681 /nfs/dbraw/zinc/36/86/81/1342368681.db2.gz HHCXCBIJWOZGRJ-CYBMUJFWSA-N 1 2 347.272 3.148 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2oc(CCC)nc2C)C1 ZINC001034483561 1342540807 /nfs/dbraw/zinc/54/08/07/1342540807.db2.gz FEHKJYUZTPAQNI-CQSZACIVSA-N 1 2 339.867 3.272 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2oc(CCC)nc2C)C1 ZINC001034483561 1342540808 /nfs/dbraw/zinc/54/08/08/1342540808.db2.gz FEHKJYUZTPAQNI-CQSZACIVSA-N 1 2 339.867 3.272 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001034511214 1342569816 /nfs/dbraw/zinc/56/98/16/1342569816.db2.gz KELKRKFCFCDSIH-MRXNPFEDSA-N 1 2 333.863 3.296 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001034511214 1342569820 /nfs/dbraw/zinc/56/98/20/1342569820.db2.gz KELKRKFCFCDSIH-MRXNPFEDSA-N 1 2 333.863 3.296 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001035037331 1342890842 /nfs/dbraw/zinc/89/08/42/1342890842.db2.gz SMNIYGLQZPQBEJ-AUUYWEPGSA-N 1 2 348.491 3.050 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc3cc(F)ccc3s2)C1 ZINC001035603213 1343099160 /nfs/dbraw/zinc/09/91/60/1343099160.db2.gz SEKSDSFPOCTVOU-OAHLLOKOSA-N 1 2 348.443 3.047 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc3cc(F)ccc3s2)C1 ZINC001035603213 1343099165 /nfs/dbraw/zinc/09/91/65/1343099165.db2.gz SEKSDSFPOCTVOU-OAHLLOKOSA-N 1 2 348.443 3.047 20 30 EGEDLO C[C@@H](C#N)C(=O)N1CCC2(C[NH+](Cc3c(F)cccc3Cl)C2)CC1 ZINC001035668613 1343128949 /nfs/dbraw/zinc/12/89/49/1343128949.db2.gz IMICSXIYWWUTNW-ZDUSSCGKSA-N 1 2 349.837 3.063 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H](F)C1)CC2 ZINC001035705806 1343143351 /nfs/dbraw/zinc/14/33/51/1343143351.db2.gz BUEZEXHASWTVGG-HUUCEWRRSA-N 1 2 328.859 3.192 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)COC1CCCCC1)CC2 ZINC001035741628 1343163010 /nfs/dbraw/zinc/16/30/10/1343163010.db2.gz POZAQGFJBLJJAE-UHFFFAOYSA-N 1 2 340.895 3.013 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[C@H](C)c1cccnc1)CC2 ZINC001035809244 1343209421 /nfs/dbraw/zinc/20/94/21/1343209421.db2.gz LHATVISNHMPIQV-HNNXBMFYSA-N 1 2 347.890 3.252 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[C@@H](C)n1cccc1)CC2 ZINC001035839725 1343222464 /nfs/dbraw/zinc/22/24/64/1343222464.db2.gz XFYMZJBRADCKNE-MRXNPFEDSA-N 1 2 335.879 3.116 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1c(F)cccc1F)CC2 ZINC001035842322 1343224775 /nfs/dbraw/zinc/22/47/75/1343224775.db2.gz VAXWOCPILZFMIG-UHFFFAOYSA-N 1 2 340.801 3.255 20 30 EGEDLO C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038144052 1344297120 /nfs/dbraw/zinc/29/71/20/1344297120.db2.gz IUDHWYKMGHMCRU-GXTWGEPZSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038144052 1344297123 /nfs/dbraw/zinc/29/71/23/1344297123.db2.gz IUDHWYKMGHMCRU-GXTWGEPZSA-N 1 2 342.830 3.105 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccc3occc3c2)c1 ZINC001038289531 1344361269 /nfs/dbraw/zinc/36/12/69/1344361269.db2.gz TZKQLZBFSUZZFB-LJQANCHMSA-N 1 2 345.402 3.309 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccc3occc3c2)c1 ZINC001038289531 1344361272 /nfs/dbraw/zinc/36/12/72/1344361272.db2.gz TZKQLZBFSUZZFB-LJQANCHMSA-N 1 2 345.402 3.309 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2sccc2Cl)cc1 ZINC001038289880 1344361299 /nfs/dbraw/zinc/36/12/99/1344361299.db2.gz RCQKPMKBFNFQHT-CQSZACIVSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2sccc2Cl)cc1 ZINC001038289880 1344361300 /nfs/dbraw/zinc/36/13/00/1344361300.db2.gz RCQKPMKBFNFQHT-CQSZACIVSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cscc2Cl)cc1 ZINC001038380665 1344402824 /nfs/dbraw/zinc/40/28/24/1344402824.db2.gz PGYCEPUBDCCSLT-AWEZNQCLSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cscc2Cl)cc1 ZINC001038380665 1344402831 /nfs/dbraw/zinc/40/28/31/1344402831.db2.gz PGYCEPUBDCCSLT-AWEZNQCLSA-N 1 2 345.855 3.277 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)c(OC)c1 ZINC001039402484 1345048027 /nfs/dbraw/zinc/04/80/27/1345048027.db2.gz ZINKHQWDVMSXBL-SJORKVTESA-N 1 2 348.874 3.435 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)c(OC)c1 ZINC001039402484 1345048032 /nfs/dbraw/zinc/04/80/32/1345048032.db2.gz ZINKHQWDVMSXBL-SJORKVTESA-N 1 2 348.874 3.435 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CC ZINC001039440143 1345067768 /nfs/dbraw/zinc/06/77/68/1345067768.db2.gz XKOPORZFKLRYDP-APIJFGDWSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CC ZINC001039440143 1345067770 /nfs/dbraw/zinc/06/77/70/1345067770.db2.gz XKOPORZFKLRYDP-APIJFGDWSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1oc(C2CC2)nc1C ZINC001039449980 1345073932 /nfs/dbraw/zinc/07/39/32/1345073932.db2.gz XSSCLOFOUOLRIR-CABCVRRESA-N 1 2 349.862 3.292 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1oc(C2CC2)nc1C ZINC001039449980 1345073934 /nfs/dbraw/zinc/07/39/34/1345073934.db2.gz XSSCLOFOUOLRIR-CABCVRRESA-N 1 2 349.862 3.292 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OC)C1CCCC1 ZINC001039463958 1345081673 /nfs/dbraw/zinc/08/16/73/1345081673.db2.gz MYTXRTJPWLXNOU-IKGGRYGDSA-N 1 2 340.895 3.009 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OC)C1CCCC1 ZINC001039463958 1345081677 /nfs/dbraw/zinc/08/16/77/1345081677.db2.gz MYTXRTJPWLXNOU-IKGGRYGDSA-N 1 2 340.895 3.009 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc(F)c1 ZINC001039465866 1345083307 /nfs/dbraw/zinc/08/33/07/1345083307.db2.gz DQZHSDKEUXCYQZ-SJORKVTESA-N 1 2 336.838 3.186 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc(F)c1 ZINC001039465866 1345083310 /nfs/dbraw/zinc/08/33/10/1345083310.db2.gz DQZHSDKEUXCYQZ-SJORKVTESA-N 1 2 336.838 3.186 20 30 EGEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1Cl ZINC001039530860 1345131782 /nfs/dbraw/zinc/13/17/82/1345131782.db2.gz DJMPVRKJZHQNIB-BMFZPTHFSA-N 1 2 331.847 3.065 20 30 EGEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1Cl ZINC001039530860 1345131786 /nfs/dbraw/zinc/13/17/86/1345131786.db2.gz DJMPVRKJZHQNIB-BMFZPTHFSA-N 1 2 331.847 3.065 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@H](C)[C@H](CNc3cc[nH+]c(C)n3)C2)C1 ZINC001039894427 1345237425 /nfs/dbraw/zinc/23/74/25/1345237425.db2.gz YNHPPJUHIKDXSR-GOEBONIOSA-N 1 2 328.460 3.038 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccn1 ZINC001039895450 1345238435 /nfs/dbraw/zinc/23/84/35/1345238435.db2.gz PAYJOTPNHSXMKL-NSHGMRRFSA-N 1 2 327.472 3.249 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccn1 ZINC001039895450 1345238437 /nfs/dbraw/zinc/23/84/37/1345238437.db2.gz PAYJOTPNHSXMKL-NSHGMRRFSA-N 1 2 327.472 3.249 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccn1 ZINC001039895451 1345238507 /nfs/dbraw/zinc/23/85/07/1345238507.db2.gz PAYJOTPNHSXMKL-WSTZPKSXSA-N 1 2 327.472 3.249 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccn1 ZINC001039895451 1345238509 /nfs/dbraw/zinc/23/85/09/1345238509.db2.gz PAYJOTPNHSXMKL-WSTZPKSXSA-N 1 2 327.472 3.249 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3occc3Cl)C[C@H]21 ZINC001042222491 1345993927 /nfs/dbraw/zinc/99/39/27/1345993927.db2.gz UVYMSDDGVZIHRP-DGCLKSJQSA-N 1 2 329.227 3.222 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3occc3Cl)C[C@H]21 ZINC001042222491 1345993929 /nfs/dbraw/zinc/99/39/29/1345993929.db2.gz UVYMSDDGVZIHRP-DGCLKSJQSA-N 1 2 329.227 3.222 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(F)s3)C[C@@H]21 ZINC001042373458 1346062041 /nfs/dbraw/zinc/06/20/41/1346062041.db2.gz GLMLNSWNWRBHMX-RYUDHWBXSA-N 1 2 328.840 3.176 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(F)s3)C[C@@H]21 ZINC001042373458 1346062044 /nfs/dbraw/zinc/06/20/44/1346062044.db2.gz GLMLNSWNWRBHMX-RYUDHWBXSA-N 1 2 328.840 3.176 20 30 EGEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+]([C@@H]3CCc4c3cccc4F)C2)cc1 ZINC001043505822 1346184339 /nfs/dbraw/zinc/18/43/39/1346184339.db2.gz HBFQAWSYJWZKNR-OAQYLSRUSA-N 1 2 348.421 3.251 20 30 EGEDLO C=C1CCC(C(=O)N(C)C2C[NH+](CCO[C@@H]3CCCC[C@H]3C)C2)CC1 ZINC001043758776 1346204636 /nfs/dbraw/zinc/20/46/36/1346204636.db2.gz AKJBGVLMZHIZMX-YLJYHZDGSA-N 1 2 348.531 3.471 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@@H](F)C2)CC1 ZINC001045539148 1346622488 /nfs/dbraw/zinc/62/24/88/1346622488.db2.gz SCRGIDAIXVBSET-CHWSQXEVSA-N 1 2 347.272 3.004 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@@]2(C)CC)CC1 ZINC001045607415 1346644272 /nfs/dbraw/zinc/64/42/72/1346644272.db2.gz VSOZPVPUWFIZPU-DZGCQCFKSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1coc(C)n1 ZINC001045840811 1346716781 /nfs/dbraw/zinc/71/67/81/1346716781.db2.gz QFEBSLVMQSOTEH-ZIFCJYIRSA-N 1 2 331.460 3.151 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1coc(C)n1 ZINC001045840811 1346716782 /nfs/dbraw/zinc/71/67/82/1346716782.db2.gz QFEBSLVMQSOTEH-ZIFCJYIRSA-N 1 2 331.460 3.151 20 30 EGEDLO C[C@@]1(NC(=O)C2CCC2)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001046095349 1346836325 /nfs/dbraw/zinc/83/63/25/1346836325.db2.gz HFEADXVAOSRRBO-LJQANCHMSA-N 1 2 330.859 3.072 20 30 EGEDLO C[C@@]1(NC(=O)C2CCC2)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001046095349 1346836328 /nfs/dbraw/zinc/83/63/28/1346836328.db2.gz HFEADXVAOSRRBO-LJQANCHMSA-N 1 2 330.859 3.072 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)C2CCCCC2)C1 ZINC001046105515 1346844660 /nfs/dbraw/zinc/84/46/60/1346844660.db2.gz JMKMNROIOSYAPU-HNNXBMFYSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)C2CCCCC2)C1 ZINC001046105515 1346844664 /nfs/dbraw/zinc/84/46/64/1346844664.db2.gz JMKMNROIOSYAPU-HNNXBMFYSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC001046326565 1346935800 /nfs/dbraw/zinc/93/58/00/1346935800.db2.gz RANPITDMFHWMMD-ZIFCJYIRSA-N 1 2 348.874 3.240 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC001046326565 1346935802 /nfs/dbraw/zinc/93/58/02/1346935802.db2.gz RANPITDMFHWMMD-ZIFCJYIRSA-N 1 2 348.874 3.240 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2nsc3ccccc32)C1 ZINC001046341409 1346941661 /nfs/dbraw/zinc/94/16/61/1346941661.db2.gz HZIJCFMGAZEPHO-INIZCTEOSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2nsc3ccccc32)C1 ZINC001046341409 1346941662 /nfs/dbraw/zinc/94/16/62/1346941662.db2.gz HZIJCFMGAZEPHO-INIZCTEOSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cccc(OCCC)c2)C1 ZINC001046362477 1346950090 /nfs/dbraw/zinc/95/00/90/1346950090.db2.gz RUORVEBQTYLWEP-GOSISDBHSA-N 1 2 336.863 3.422 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(OCCC)c2)C1 ZINC001046362477 1346950093 /nfs/dbraw/zinc/95/00/93/1346950093.db2.gz RUORVEBQTYLWEP-GOSISDBHSA-N 1 2 336.863 3.422 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC001046518271 1347001513 /nfs/dbraw/zinc/00/15/13/1347001513.db2.gz LELZQAYCRWQXCF-CYBMUJFWSA-N 1 2 336.650 3.268 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC001046518271 1347001515 /nfs/dbraw/zinc/00/15/15/1347001515.db2.gz LELZQAYCRWQXCF-CYBMUJFWSA-N 1 2 336.650 3.268 20 30 EGEDLO C=C1CCC(C(=O)N[C@]2(C)CC[N@H+](Cc3coc(C4CC4)n3)C2)CC1 ZINC001046595203 1347031457 /nfs/dbraw/zinc/03/14/57/1347031457.db2.gz YCAXVYBWFNIKJZ-HXUWFJFHSA-N 1 2 343.471 3.379 20 30 EGEDLO C=C1CCC(C(=O)N[C@]2(C)CC[N@@H+](Cc3coc(C4CC4)n3)C2)CC1 ZINC001046595203 1347031461 /nfs/dbraw/zinc/03/14/61/1347031461.db2.gz YCAXVYBWFNIKJZ-HXUWFJFHSA-N 1 2 343.471 3.379 20 30 EGEDLO C=C1CCC(C(=O)N[C@]2(C)CC[N@@H+]([C@H](C)c3nc(CC)no3)C2)CC1 ZINC001046599724 1347033216 /nfs/dbraw/zinc/03/32/16/1347033216.db2.gz YLXXVOCIOKSIBV-AUUYWEPGSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CCC(C(=O)N[C@]2(C)CC[N@H+]([C@H](C)c3nc(CC)no3)C2)CC1 ZINC001046599724 1347033218 /nfs/dbraw/zinc/03/32/18/1347033218.db2.gz YLXXVOCIOKSIBV-AUUYWEPGSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnn([C@@H](C)CC)c2C)C1 ZINC001046763078 1347089624 /nfs/dbraw/zinc/08/96/24/1347089624.db2.gz MJPZTLGEYULEJJ-GUYCJALGSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnn([C@@H](C)CC)c2C)C1 ZINC001046763078 1347089628 /nfs/dbraw/zinc/08/96/28/1347089628.db2.gz MJPZTLGEYULEJJ-GUYCJALGSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc3c(C)cccn3c2)C1 ZINC001046771382 1347093256 /nfs/dbraw/zinc/09/32/56/1347093256.db2.gz MBYXWRHDNMFTPR-SFHVURJKSA-N 1 2 331.847 3.194 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc3c(C)cccn3c2)C1 ZINC001046771382 1347093260 /nfs/dbraw/zinc/09/32/60/1347093260.db2.gz MBYXWRHDNMFTPR-SFHVURJKSA-N 1 2 331.847 3.194 20 30 EGEDLO Cc1csc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)c1 ZINC001079665588 1357341456 /nfs/dbraw/zinc/34/14/56/1357341456.db2.gz AYTZCBVJSKWLAS-RHSMWYFYSA-N 1 2 339.464 3.179 20 30 EGEDLO Cc1csc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)c1 ZINC001079665588 1357341457 /nfs/dbraw/zinc/34/14/57/1357341457.db2.gz AYTZCBVJSKWLAS-RHSMWYFYSA-N 1 2 339.464 3.179 20 30 EGEDLO C=CC[NH+]1CCC([C@H]2CCCN(C(=O)C(F)C(F)(F)F)C2)CC1 ZINC001047240492 1347266592 /nfs/dbraw/zinc/26/65/92/1347266592.db2.gz DLQCEIDVUSPTNH-UONOGXRCSA-N 1 2 336.373 3.023 20 30 EGEDLO C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](F)C(F)(F)F)C2)CC1 ZINC001047240492 1347266594 /nfs/dbraw/zinc/26/65/94/1347266594.db2.gz DLQCEIDVUSPTNH-UONOGXRCSA-N 1 2 336.373 3.023 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC(C)C1 ZINC001049405119 1347828029 /nfs/dbraw/zinc/82/80/29/1347828029.db2.gz GTXHCDVYDXJYDV-MOQPVCNJSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC(C)C1 ZINC001049405119 1347828032 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/nfs/dbraw/zinc/74/38/14/1358743814.db2.gz KVSHPZCPKQWRCO-WOJBJXKFSA-N 1 2 338.495 3.397 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)c1cc[nH]c1C1CC1 ZINC001085787599 1358762681 /nfs/dbraw/zinc/76/26/81/1358762681.db2.gz RYPITKCDYZYNDP-SFHVURJKSA-N 1 2 348.450 3.110 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)c1cc[nH]c1C1CC1 ZINC001085787599 1358762684 /nfs/dbraw/zinc/76/26/84/1358762684.db2.gz RYPITKCDYZYNDP-SFHVURJKSA-N 1 2 348.450 3.110 20 30 EGEDLO CC(C)(NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N)C1CC1 ZINC001183839521 1387357909 /nfs/dbraw/zinc/35/79/09/1387357909.db2.gz XZXYQGGMIBNZGH-SFHVURJKSA-N 1 2 325.456 3.218 20 30 EGEDLO CC(C)(NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N)C1CC1 ZINC001183839521 1387357915 /nfs/dbraw/zinc/35/79/15/1387357915.db2.gz XZXYQGGMIBNZGH-SFHVURJKSA-N 1 2 325.456 3.218 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC2(C)C)C1 ZINC001086583877 1359155449 /nfs/dbraw/zinc/15/54/49/1359155449.db2.gz PNCYIZORTNFYHM-YESZJQIVSA-N 1 2 332.875 3.369 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC2(C)C)C1 ZINC001086583877 1359155450 /nfs/dbraw/zinc/15/54/50/1359155450.db2.gz PNCYIZORTNFYHM-YESZJQIVSA-N 1 2 332.875 3.369 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2(C3CC3)CC2)[C@H]1CC ZINC001087614746 1359554388 /nfs/dbraw/zinc/55/43/88/1359554388.db2.gz KXVREXRBWPYRMR-UONOGXRCSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2(C3CC3)CC2)[C@H]1CC ZINC001087614746 1359554392 /nfs/dbraw/zinc/55/43/92/1359554392.db2.gz KXVREXRBWPYRMR-UONOGXRCSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2scnc2C2CC2)[C@H]1CC ZINC001087754386 1359629079 /nfs/dbraw/zinc/62/90/79/1359629079.db2.gz CSNFKAJBMHRVAT-QWHCGFSZSA-N 1 2 339.892 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2scnc2C2CC2)[C@H]1CC ZINC001087754386 1359629080 /nfs/dbraw/zinc/62/90/80/1359629080.db2.gz CSNFKAJBMHRVAT-QWHCGFSZSA-N 1 2 339.892 3.356 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@@H]2C)s1 ZINC001088449276 1359912798 /nfs/dbraw/zinc/91/27/98/1359912798.db2.gz CGOCIQWIEXJGHY-AEFFLSMTSA-N 1 2 338.476 3.301 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)[C@@H]2C)s1 ZINC001088449276 1359912801 /nfs/dbraw/zinc/91/28/01/1359912801.db2.gz CGOCIQWIEXJGHY-AEFFLSMTSA-N 1 2 338.476 3.301 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(c3cccc(C)c3)CC2)[C@H]1C ZINC001089061271 1360153049 /nfs/dbraw/zinc/15/30/49/1360153049.db2.gz GLCIHFHGWLOWIF-WBVHZDCISA-N 1 2 332.875 3.358 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(c3cccc(C)c3)CC2)[C@H]1C ZINC001089061271 1360153053 /nfs/dbraw/zinc/15/30/53/1360153053.db2.gz GLCIHFHGWLOWIF-WBVHZDCISA-N 1 2 332.875 3.358 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)N(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001089129100 1360191147 /nfs/dbraw/zinc/19/11/47/1360191147.db2.gz LQHRPTFAAVDZLW-CVEARBPZSA-N 1 2 330.476 3.348 20 30 EGEDLO C=CCCC(=O)N[C@H](C)C[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001089251063 1360282203 /nfs/dbraw/zinc/28/22/03/1360282203.db2.gz SPIBHCIAJDICGQ-ZIAGYGMSSA-N 1 2 330.476 3.325 20 30 EGEDLO C#CCC1(C(=O)N[C@@H](C)C[C@@H](C)Nc2cc[nH+]c(C)n2)CCCCC1 ZINC001089336978 1360350540 /nfs/dbraw/zinc/35/05/40/1360350540.db2.gz KGYYKCAGJRRVLF-CVEARBPZSA-N 1 2 342.487 3.454 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cccc(C)n1 ZINC001089611082 1360533253 /nfs/dbraw/zinc/53/32/53/1360533253.db2.gz ONSMSURQCSBTDN-OAHLLOKOSA-N 1 2 335.879 3.363 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cccc(C)n1 ZINC001089611082 1360533257 /nfs/dbraw/zinc/53/32/57/1360533257.db2.gz ONSMSURQCSBTDN-OAHLLOKOSA-N 1 2 335.879 3.363 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ncoc1CC ZINC001089620693 1360539265 /nfs/dbraw/zinc/53/92/65/1360539265.db2.gz CLZIAXKXMMCKKK-CYBMUJFWSA-N 1 2 339.867 3.210 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ncoc1CC ZINC001089620693 1360539268 /nfs/dbraw/zinc/53/92/68/1360539268.db2.gz CLZIAXKXMMCKKK-CYBMUJFWSA-N 1 2 339.867 3.210 20 30 EGEDLO C=C(Br)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001089683878 1360589934 /nfs/dbraw/zinc/58/99/34/1360589934.db2.gz ILORJURPLDRUDU-YUTCNCBUSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001089683878 1360589935 /nfs/dbraw/zinc/58/99/35/1360589935.db2.gz ILORJURPLDRUDU-YUTCNCBUSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1onc(C)c1C ZINC001089657074 1360568479 /nfs/dbraw/zinc/56/84/79/1360568479.db2.gz QOGZGJYOXCFMFL-AWEZNQCLSA-N 1 2 339.867 3.264 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1onc(C)c1C ZINC001089657074 1360568482 /nfs/dbraw/zinc/56/84/82/1360568482.db2.gz QOGZGJYOXCFMFL-AWEZNQCLSA-N 1 2 339.867 3.264 20 30 EGEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC(=C)Cl)c1 ZINC001089691765 1360597611 /nfs/dbraw/zinc/59/76/11/1360597611.db2.gz XFTHMXOYRKBQIR-KRWDZBQOSA-N 1 2 345.874 3.036 20 30 EGEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC(=C)Cl)c1 ZINC001089691765 1360597613 /nfs/dbraw/zinc/59/76/13/1360597613.db2.gz XFTHMXOYRKBQIR-KRWDZBQOSA-N 1 2 345.874 3.036 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H](C)N(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001089696754 1360601302 /nfs/dbraw/zinc/60/13/02/1360601302.db2.gz BGUHHQXWXZXWCT-OAHLLOKOSA-N 1 2 330.476 3.350 20 30 EGEDLO C=CCCC(=O)N1CCCC[C@@H]1CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001089784935 1360662780 /nfs/dbraw/zinc/66/27/80/1360662780.db2.gz SWHNDINISHWNNP-QGZVFWFLSA-N 1 2 342.487 3.446 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001089791699 1360665235 /nfs/dbraw/zinc/66/52/35/1360665235.db2.gz BDFPUELDOAVWGI-MRXNPFEDSA-N 1 2 330.476 3.205 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H](CNc2cc[nH+]c(C)n2)[C@@H](C)C1 ZINC001090277154 1360883658 /nfs/dbraw/zinc/88/36/58/1360883658.db2.gz PTBZXJAQMCIUAC-MAUKXSAKSA-N 1 2 342.487 3.450 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001091387393 1361074586 /nfs/dbraw/zinc/07/45/86/1361074586.db2.gz QYLRITZTDPJBAN-GASCZTMLSA-N 1 2 330.476 3.427 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1CC ZINC001091827430 1361230777 /nfs/dbraw/zinc/23/07/77/1361230777.db2.gz KQNGWWZKKLQVRL-DLBZAZTESA-N 1 2 344.503 3.478 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@@]2(C)C1 ZINC001091916832 1361247349 /nfs/dbraw/zinc/24/73/49/1361247349.db2.gz MJJOXYOISWJNDL-QTHPLCAKSA-N 1 2 331.287 3.298 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@@]2(C)C1 ZINC001091916832 1361247351 /nfs/dbraw/zinc/24/73/51/1361247351.db2.gz MJJOXYOISWJNDL-QTHPLCAKSA-N 1 2 331.287 3.298 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3cc(C)ccc3F)CC2)C1 ZINC001093579406 1361647833 /nfs/dbraw/zinc/64/78/33/1361647833.db2.gz CSOYVWDDYUKKKZ-UHFFFAOYSA-N 1 2 346.446 3.016 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@H](C)C3CCCCC3)CC2)C1 ZINC001093583443 1361648617 /nfs/dbraw/zinc/64/86/17/1361648617.db2.gz QWAVFWGFCKKPAV-KRWDZBQOSA-N 1 2 348.531 3.471 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3ccoc3CCC)CC2)C1 ZINC001093590054 1361650212 /nfs/dbraw/zinc/65/02/12/1361650212.db2.gz CLNWXPAPHZGTBR-UHFFFAOYSA-N 1 2 346.471 3.114 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3ccc(C4CC4)s3)CC2)C1 ZINC001093590452 1361650802 /nfs/dbraw/zinc/65/08/02/1361650802.db2.gz LGTXEZAHJSVUJZ-UHFFFAOYSA-N 1 2 346.496 3.117 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3cc(C)c(CC)o3)CC2)C1 ZINC001093593196 1361651439 /nfs/dbraw/zinc/65/14/39/1361651439.db2.gz VZYUBCKBRMWSGM-UHFFFAOYSA-N 1 2 346.471 3.032 20 30 EGEDLO C=CC[C@H](C(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001095039106 1361994605 /nfs/dbraw/zinc/99/46/05/1361994605.db2.gz VVPIIGRSKHANNN-MSOLQXFVSA-N 1 2 336.439 3.158 20 30 EGEDLO CCCCCCCCOCC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001095085407 1362007952 /nfs/dbraw/zinc/00/79/52/1362007952.db2.gz XJSVRSLQNZWYNA-QGZVFWFLSA-N 1 2 348.491 3.175 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@H](N(C)c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001095153593 1362034498 /nfs/dbraw/zinc/03/44/98/1362034498.db2.gz JNPJCNJEXMRTJT-KRWDZBQOSA-N 1 2 342.487 3.139 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001095727749 1362214875 /nfs/dbraw/zinc/21/48/75/1362214875.db2.gz ACEJNWFPGCSXKW-LJQANCHMSA-N 1 2 330.476 3.207 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3c1O[C@H](C)C3)C2 ZINC001095779189 1362226449 /nfs/dbraw/zinc/22/64/49/1362226449.db2.gz PAZUILRNEARKLT-IRWJRLHMSA-N 1 2 346.858 3.098 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3c1O[C@H](C)C3)C2 ZINC001095779189 1362226452 /nfs/dbraw/zinc/22/64/52/1362226452.db2.gz PAZUILRNEARKLT-IRWJRLHMSA-N 1 2 346.858 3.098 20 30 EGEDLO C#CCCCCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001095797767 1362232495 /nfs/dbraw/zinc/23/24/95/1362232495.db2.gz KMNLDGNVFBKGAI-DOTOQJQBSA-N 1 2 328.460 3.160 20 30 EGEDLO Cc1cocc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001095879505 1362266614 /nfs/dbraw/zinc/26/66/14/1362266614.db2.gz UTUFIIZVKQXIMQ-DQYPLSBCSA-N 1 2 341.436 3.057 20 30 EGEDLO Cc1cocc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001095879505 1362266617 /nfs/dbraw/zinc/26/66/17/1362266617.db2.gz UTUFIIZVKQXIMQ-DQYPLSBCSA-N 1 2 341.436 3.057 20 30 EGEDLO CC#CCCCC(=O)NCCCN(CC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001095947662 1362300616 /nfs/dbraw/zinc/30/06/16/1362300616.db2.gz VOIRJTFUJKEWOM-UHFFFAOYSA-N 1 2 344.503 3.435 20 30 EGEDLO C=CCCC(=O)NCCCN(c1nc(C)[nH+]c2c1CCCC2)C1CC1 ZINC001096021712 1362337881 /nfs/dbraw/zinc/33/78/81/1362337881.db2.gz DMFMKUMHUMVCIR-UHFFFAOYSA-N 1 2 342.487 3.105 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC(F)(F)CC1)C2 ZINC001096066624 1362363116 /nfs/dbraw/zinc/36/31/16/1362363116.db2.gz RYVWIGGBWXVHKL-RDBSUJKOSA-N 1 2 332.822 3.286 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC(F)(F)CC1)C2 ZINC001096066624 1362363123 /nfs/dbraw/zinc/36/31/23/1362363123.db2.gz RYVWIGGBWXVHKL-RDBSUJKOSA-N 1 2 332.822 3.286 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3ccccc3c1)C2 ZINC001096070537 1362366595 /nfs/dbraw/zinc/36/65/95/1362366595.db2.gz NEVNOHZBQYJGQS-NJAFHUGGSA-N 1 2 341.842 3.322 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3ccccc3c1)C2 ZINC001096070537 1362366598 /nfs/dbraw/zinc/36/65/98/1362366598.db2.gz NEVNOHZBQYJGQS-NJAFHUGGSA-N 1 2 341.842 3.322 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N(C)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001096124325 1362394628 /nfs/dbraw/zinc/39/46/28/1362394628.db2.gz OIAQQZYPDDRJIB-ZIAGYGMSSA-N 1 2 344.503 3.287 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001096207471 1362431669 /nfs/dbraw/zinc/43/16/69/1362431669.db2.gz VKQSPCOWWWTIJG-MRXNPFEDSA-N 1 2 330.476 3.089 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096479635 1362529218 /nfs/dbraw/zinc/52/92/18/1362529218.db2.gz GXJZQBPLENIZLN-HNAYVOBHSA-N 1 2 330.476 3.206 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N(CCC)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001096548734 1362574126 /nfs/dbraw/zinc/57/41/26/1362574126.db2.gz CVBIDHMVWIKCCD-HOTGVXAUSA-N 1 2 344.503 3.451 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](Nc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001096777400 1362702307 /nfs/dbraw/zinc/70/23/07/1362702307.db2.gz RBCGUPJQZGCJIT-QGZVFWFLSA-N 1 2 342.487 3.409 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H](Nc1nc(C)[nH+]c2c1CCCC2)C1CC1 ZINC001096784071 1362707067 /nfs/dbraw/zinc/70/70/67/1362707067.db2.gz UOBQJQBPNPHWCE-KRWDZBQOSA-N 1 2 342.487 3.183 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H](CN(C)c2cc[nH+]c(C)n2)C1 ZINC001096878542 1362765025 /nfs/dbraw/zinc/76/50/25/1362765025.db2.gz NJWQWVIUUOANQC-INIZCTEOSA-N 1 2 330.476 3.062 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096963341 1362795842 /nfs/dbraw/zinc/79/58/42/1362795842.db2.gz CDTCFLRBYVRNNN-KRWDZBQOSA-N 1 2 340.471 3.444 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001097244840 1362900193 /nfs/dbraw/zinc/90/01/93/1362900193.db2.gz RNBFXVPJPQBXIT-CWRNSKLLSA-N 1 2 342.487 3.325 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccnc1C1CC1)C2 ZINC001097435045 1362986320 /nfs/dbraw/zinc/98/63/20/1362986320.db2.gz HKYYHRVCGBMBLF-BMFZPTHFSA-N 1 2 331.847 3.047 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccnc1C1CC1)C2 ZINC001097435045 1362986332 /nfs/dbraw/zinc/98/63/32/1362986332.db2.gz HKYYHRVCGBMBLF-BMFZPTHFSA-N 1 2 331.847 3.047 20 30 EGEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3ccc(F)cc3s1)C2 ZINC001097465010 1363006979 /nfs/dbraw/zinc/00/69/79/1363006979.db2.gz WRONTMKXKJDYEQ-KFWWJZLASA-N 1 2 328.412 3.009 20 30 EGEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3ccc(F)cc3s1)C2 ZINC001097465010 1363006983 /nfs/dbraw/zinc/00/69/83/1363006983.db2.gz WRONTMKXKJDYEQ-KFWWJZLASA-N 1 2 328.412 3.009 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC(C)(C)CO1)C2 ZINC001097561739 1363056270 /nfs/dbraw/zinc/05/62/70/1363056270.db2.gz OXTSQPJRZLTZPF-QXSJWSMHSA-N 1 2 340.895 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC(C)(C)CO1)C2 ZINC001097561739 1363056272 /nfs/dbraw/zinc/05/62/72/1363056272.db2.gz OXTSQPJRZLTZPF-QXSJWSMHSA-N 1 2 340.895 3.056 20 30 EGEDLO C=CCCC1(C(=O)N2C[C@@H]3CC[C@H](Nc4cc[nH+]c(C)n4)[C@@H]3C2)CC1 ZINC001097608541 1363072732 /nfs/dbraw/zinc/07/27/32/1363072732.db2.gz IBBOGXUEVLSEOQ-BBWFWOEESA-N 1 2 340.471 3.180 20 30 EGEDLO Cc1cc(NC[C@H]2CCN(C(=O)C#CC(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC001098523779 1363352630 /nfs/dbraw/zinc/35/26/30/1363352630.db2.gz JHJANWXNFMASFR-MRXNPFEDSA-N 1 2 342.487 3.218 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H](CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001098553896 1363372978 /nfs/dbraw/zinc/37/29/78/1363372978.db2.gz AWHYIOXEPQRQEF-INIZCTEOSA-N 1 2 342.487 3.281 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001098724313 1363450329 /nfs/dbraw/zinc/45/03/29/1363450329.db2.gz OHZKOMYALBWHDG-KRWDZBQOSA-N 1 2 330.476 3.185 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ccc(Cl)nc1 ZINC001098976048 1363550812 /nfs/dbraw/zinc/55/08/12/1363550812.db2.gz PTJJHXBFSBEGAL-HIFRSBDPSA-N 1 2 348.878 3.001 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ccc(Cl)nc1 ZINC001098976048 1363550816 /nfs/dbraw/zinc/55/08/16/1363550816.db2.gz PTJJHXBFSBEGAL-HIFRSBDPSA-N 1 2 348.878 3.001 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2occc2Cl)C1 ZINC001099014412 1363574953 /nfs/dbraw/zinc/57/49/53/1363574953.db2.gz AUMPJGAGQDFWFY-NHYWBVRUSA-N 1 2 329.227 3.270 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2occc2Cl)C1 ZINC001099014412 1363574954 /nfs/dbraw/zinc/57/49/54/1363574954.db2.gz AUMPJGAGQDFWFY-NHYWBVRUSA-N 1 2 329.227 3.270 20 30 EGEDLO C#CCCCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nccs1 ZINC001099028290 1363583439 /nfs/dbraw/zinc/58/34/39/1363583439.db2.gz BHIHZJQPRFBFTH-MRXNPFEDSA-N 1 2 347.528 3.444 20 30 EGEDLO C#CCCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nccs1 ZINC001099028290 1363583443 /nfs/dbraw/zinc/58/34/43/1363583443.db2.gz BHIHZJQPRFBFTH-MRXNPFEDSA-N 1 2 347.528 3.444 20 30 EGEDLO Cc1cc(N[C@H](C)CCNC(=O)C#CC(C)(C)C)nc(C(C)C)[nH+]1 ZINC001099086908 1363615941 /nfs/dbraw/zinc/61/59/41/1363615941.db2.gz IPCFZGPTNTWVMJ-CQSZACIVSA-N 1 2 330.476 3.265 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1cc(C)on1 ZINC001099165056 1363665152 /nfs/dbraw/zinc/66/51/52/1363665152.db2.gz JPTIYIMBEBVVNM-MRXNPFEDSA-N 1 2 333.476 3.302 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1cc(C)on1 ZINC001099165056 1363665156 /nfs/dbraw/zinc/66/51/56/1363665156.db2.gz JPTIYIMBEBVVNM-MRXNPFEDSA-N 1 2 333.476 3.302 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1cc(C)n(C)n1 ZINC001099170104 1363667930 /nfs/dbraw/zinc/66/79/30/1363667930.db2.gz CNRAJDRVDXUAQU-KRWDZBQOSA-N 1 2 346.519 3.048 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1cc(C)n(C)n1 ZINC001099170104 1363667933 /nfs/dbraw/zinc/66/79/33/1363667933.db2.gz CNRAJDRVDXUAQU-KRWDZBQOSA-N 1 2 346.519 3.048 20 30 EGEDLO C=C[C@@H](CC(=O)NCC[C@@H](C)Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC001099202813 1363690078 /nfs/dbraw/zinc/69/00/78/1363690078.db2.gz JZJUEUPFHDIILB-WBVHZDCISA-N 1 2 338.455 3.452 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccn(C)n1 ZINC001099220804 1363698693 /nfs/dbraw/zinc/69/86/93/1363698693.db2.gz SKNKUQHVCHMBTL-XLIONFOSSA-N 1 2 346.519 3.129 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccn(C)n1 ZINC001099220804 1363698695 /nfs/dbraw/zinc/69/86/95/1363698695.db2.gz SKNKUQHVCHMBTL-XLIONFOSSA-N 1 2 346.519 3.129 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@]1(C)CCCOC1 ZINC001099291735 1363735151 /nfs/dbraw/zinc/73/51/51/1363735151.db2.gz LPKUYVOAIMZLIK-CRAIPNDOSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@]1(C)CCCOC1 ZINC001099291735 1363735154 /nfs/dbraw/zinc/73/51/54/1363735154.db2.gz LPKUYVOAIMZLIK-CRAIPNDOSA-N 1 2 342.911 3.162 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001100868113 1364301667 /nfs/dbraw/zinc/30/16/67/1364301667.db2.gz OIXGCIXKPFGGNJ-SFHVURJKSA-N 1 2 342.487 3.255 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001101033945 1364382704 /nfs/dbraw/zinc/38/27/04/1364382704.db2.gz KDHPVWRLGPOLAZ-OAHLLOKOSA-N 1 2 330.476 3.063 20 30 EGEDLO C=CCC(CC=C)C(=O)N(C)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001101790076 1364727858 /nfs/dbraw/zinc/72/78/58/1364727858.db2.gz YUWHLUNAFHPWIU-UHFFFAOYSA-N 1 2 342.487 3.303 20 30 EGEDLO C=CCC(C)(C)C(=O)N(C)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001101978823 1364797498 /nfs/dbraw/zinc/79/74/98/1364797498.db2.gz FXVBREZYVXVRGJ-UHFFFAOYSA-N 1 2 330.476 3.136 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC([C@@H](C)Nc2cc[nH+]c(C)n2)CC1 ZINC001102067187 1364832925 /nfs/dbraw/zinc/83/29/25/1364832925.db2.gz QLDXDFINKOSRTB-GDBMZVCRSA-N 1 2 330.476 3.426 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nc(C)[nH+]c(C)c1C ZINC001102206817 1364933631 /nfs/dbraw/zinc/93/36/31/1364933631.db2.gz RTXVYTYRBPNBFI-HLNSBACISA-N 1 2 342.487 3.040 20 30 EGEDLO C=CCC1(C(=O)N2CCC(CN(C)c3cc[nH+]c(C)n3)CC2)CCC1 ZINC001102468082 1365073235 /nfs/dbraw/zinc/07/32/35/1365073235.db2.gz DIUMNOQVPWZHJM-UHFFFAOYSA-N 1 2 342.487 3.206 20 30 EGEDLO C=C[C@H](CC)CC(=O)N(C)[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102752291 1365201984 /nfs/dbraw/zinc/20/19/84/1365201984.db2.gz DRIWJABQZSEUAH-WBVHZDCISA-N 1 2 342.487 3.302 20 30 EGEDLO C=C[C@H](CC)CC(=O)N(C)[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102753343 1365202677 /nfs/dbraw/zinc/20/26/77/1365202677.db2.gz WXXWNCDGNVBOGW-IAGOWNOFSA-N 1 2 330.476 3.041 20 30 EGEDLO C=CCCC1(C(=O)N(C)[C@@H]2CCN(c3nc(C)[nH+]c(C)c3C)C2)CC1 ZINC001102756327 1365203876 /nfs/dbraw/zinc/20/38/76/1365203876.db2.gz TXLPZLQOBRTHSB-QGZVFWFLSA-N 1 2 342.487 3.185 20 30 EGEDLO C=CCCC(=O)N(CC)[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001102782628 1365216605 /nfs/dbraw/zinc/21/66/05/1365216605.db2.gz WDKULHANHGPSSQ-INIZCTEOSA-N 1 2 330.476 3.302 20 30 EGEDLO C=C(C)CCC(=O)N(CC)[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102817990 1365234047 /nfs/dbraw/zinc/23/40/47/1365234047.db2.gz LVMVWOOBTSVVGI-QGZVFWFLSA-N 1 2 342.487 3.446 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CCCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001102865305 1365259672 /nfs/dbraw/zinc/25/96/72/1365259672.db2.gz KOFQPMCIYMWDJH-QGZVFWFLSA-N 1 2 342.487 3.187 20 30 EGEDLO C#CCCCCCC(=O)N[C@](C)(CNc1cc[nH+]c(C)n1)C1CC1 ZINC001103561066 1365636970 /nfs/dbraw/zinc/63/69/70/1365636970.db2.gz PHUNOZAFPZDPJK-LJQANCHMSA-N 1 2 328.460 3.066 20 30 EGEDLO C#CCCCCC(=O)N[C@]1(CNc2cc[nH+]c(C)n2)CCCC[C@H]1C ZINC001103601387 1365666892 /nfs/dbraw/zinc/66/68/92/1365666892.db2.gz HGUDDTNOMWLODR-UZLBHIALSA-N 1 2 342.487 3.456 20 30 EGEDLO Cc1cc(N[C@H]2CC[C@H](NC(=O)C#CC(C)C)CC2)nc(C2CC2)[nH+]1 ZINC001103638104 1365694381 /nfs/dbraw/zinc/69/43/81/1365694381.db2.gz PXVNBPVDYOSDGS-QAQDUYKDSA-N 1 2 340.471 3.161 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001103637948 1365694450 /nfs/dbraw/zinc/69/44/50/1365694450.db2.gz KQALZLPZZNBLDG-WKILWMFISA-N 1 2 342.487 3.469 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001103697345 1365735531 /nfs/dbraw/zinc/73/55/31/1365735531.db2.gz QNBILWBDBGRPQI-UHFFFAOYSA-N 1 2 344.503 3.337 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001103700039 1365738085 /nfs/dbraw/zinc/73/80/85/1365738085.db2.gz AXVBJPZPVDKFFL-IBGZPJMESA-N 1 2 330.476 3.110 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCC[C@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001103777130 1365780295 /nfs/dbraw/zinc/78/02/95/1365780295.db2.gz KRCNDIVYSCSDJY-YLJYHZDGSA-N 1 2 344.503 3.479 20 30 EGEDLO CC#CCCCC(=O)NC[C@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001104158822 1365930054 /nfs/dbraw/zinc/93/00/54/1365930054.db2.gz CSPJQVVYWWGZSG-OAHLLOKOSA-N 1 2 330.476 3.266 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)c2noc(C)n2)C1 ZINC001104239721 1365965883 /nfs/dbraw/zinc/96/58/83/1365965883.db2.gz MMMXSODJJIEYJY-IJEWVQPXSA-N 1 2 348.491 3.116 20 30 EGEDLO C=CC[C@@H](C(=O)N(C)[C@@H](C)CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001104589241 1366090162 /nfs/dbraw/zinc/09/01/62/1366090162.db2.gz YXZOLNLYAYAZPF-MAUKXSAKSA-N 1 2 338.455 3.404 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H](CNc2cc[nH+]c(C)n2)CC(C)C)CC1 ZINC001104987993 1366260086 /nfs/dbraw/zinc/26/00/86/1366260086.db2.gz PMQSUWISTWKPOF-QGZVFWFLSA-N 1 2 330.476 3.474 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@@H](C)C1 ZINC001105052680 1366294490 /nfs/dbraw/zinc/29/44/90/1366294490.db2.gz SFLJUMRMUWWQLP-YOEHRIQHSA-N 1 2 328.460 3.202 20 30 EGEDLO C#CCC1(C(=O)N2CCC[C@@H]([C@@H](C)Nc3cc[nH+]c(C)n3)C2)CCC1 ZINC001105081229 1366313840 /nfs/dbraw/zinc/31/38/40/1366313840.db2.gz IIIOAGBGORYMEY-NVXWUHKLSA-N 1 2 340.471 3.018 20 30 EGEDLO C=CCC1(C(=O)NC[C@H](Nc2cc[nH+]c(C)n2)C(C)C)CCCC1 ZINC001105199388 1366368370 /nfs/dbraw/zinc/36/83/70/1366368370.db2.gz SCDWFBCWRHNXQO-INIZCTEOSA-N 1 2 330.476 3.474 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2[C@@H](CCN2c2nc(C)[nH+]c(C)c2C)C1 ZINC001105629016 1366551727 /nfs/dbraw/zinc/55/17/27/1366551727.db2.gz RBXQUOASISXNPI-ROUUACIJSA-N 1 2 342.487 3.185 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001105689560 1366574713 /nfs/dbraw/zinc/57/47/13/1366574713.db2.gz QXIBNSDIQKWHBX-SJORKVTESA-N 1 2 328.460 3.066 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC(OC2C[NH+](CC=C(C)C)C2)CC1 ZINC001105709393 1366581541 /nfs/dbraw/zinc/58/15/41/1366581541.db2.gz KQQWMUIPBUPPPT-UHFFFAOYSA-N 1 2 334.504 3.247 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C3(CC(C)C)CCCC3)CC2)C1 ZINC001105728072 1366586878 /nfs/dbraw/zinc/58/68/78/1366586878.db2.gz LGAQAJJESLMNDT-UHFFFAOYSA-N 1 2 348.531 3.471 20 30 EGEDLO C=CCC1(C(=O)NC/C=C\CNc2cc[nH+]c(C)n2)CCCCC1 ZINC001107219845 1366894913 /nfs/dbraw/zinc/89/49/13/1366894913.db2.gz ZDPVXQVKRJTMKR-FPLPWBNLSA-N 1 2 328.460 3.396 20 30 EGEDLO CC[C@@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109207022 1367001832 /nfs/dbraw/zinc/00/18/32/1367001832.db2.gz XBUDNDJOYUEXHR-OLQIXAPSSA-N 1 2 343.446 3.355 20 30 EGEDLO CC[C@@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109207022 1367001840 /nfs/dbraw/zinc/00/18/40/1367001840.db2.gz XBUDNDJOYUEXHR-OLQIXAPSSA-N 1 2 343.446 3.355 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001109329154 1367056077 /nfs/dbraw/zinc/05/60/77/1367056077.db2.gz OSLWUECAEZKONW-QYZOEREBSA-N 1 2 343.446 3.211 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001109329154 1367056081 /nfs/dbraw/zinc/05/60/81/1367056081.db2.gz OSLWUECAEZKONW-QYZOEREBSA-N 1 2 343.446 3.211 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)CCC)[C@@H]2C1 ZINC001189568196 1367056933 /nfs/dbraw/zinc/05/69/33/1367056933.db2.gz CAIAPCOYFJBKTP-QLFBSQMISA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)CCC)[C@@H]2C1 ZINC001189568196 1367056941 /nfs/dbraw/zinc/05/69/41/1367056941.db2.gz CAIAPCOYFJBKTP-QLFBSQMISA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncoc1C(C)C ZINC001109350845 1367081331 /nfs/dbraw/zinc/08/13/31/1367081331.db2.gz GEEQCQHOQRPLMR-VYDXJSESSA-N 1 2 331.460 3.376 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncoc1C(C)C ZINC001109350845 1367081337 /nfs/dbraw/zinc/08/13/37/1367081337.db2.gz GEEQCQHOQRPLMR-VYDXJSESSA-N 1 2 331.460 3.376 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnc(Cl)c1 ZINC001109350870 1367081944 /nfs/dbraw/zinc/08/19/44/1367081944.db2.gz HLIPGEJHKSWYCH-PMPSAXMXSA-N 1 2 333.863 3.313 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnc(Cl)c1 ZINC001109350870 1367081948 /nfs/dbraw/zinc/08/19/48/1367081948.db2.gz HLIPGEJHKSWYCH-PMPSAXMXSA-N 1 2 333.863 3.313 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1noc2c1CCCC2 ZINC001109351410 1367082625 /nfs/dbraw/zinc/08/26/25/1367082625.db2.gz YCCGOSRHFXWWFH-HFTRVMKXSA-N 1 2 343.471 3.131 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1noc2c1CCCC2 ZINC001109351410 1367082629 /nfs/dbraw/zinc/08/26/29/1367082629.db2.gz YCCGOSRHFXWWFH-HFTRVMKXSA-N 1 2 343.471 3.131 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)cc(F)c1 ZINC001109601971 1367225710 /nfs/dbraw/zinc/22/57/10/1367225710.db2.gz WNEHEZSMCGRFKC-IKGGRYGDSA-N 1 2 334.410 3.399 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)cc(F)c1 ZINC001109601971 1367225716 /nfs/dbraw/zinc/22/57/16/1367225716.db2.gz WNEHEZSMCGRFKC-IKGGRYGDSA-N 1 2 334.410 3.399 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(O)ccc1Cl ZINC001109604685 1367227492 /nfs/dbraw/zinc/22/74/92/1367227492.db2.gz VBEYEABNUSOFNO-COXVUDFISA-N 1 2 348.874 3.479 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(O)ccc1Cl ZINC001109604685 1367227495 /nfs/dbraw/zinc/22/74/95/1367227495.db2.gz VBEYEABNUSOFNO-COXVUDFISA-N 1 2 348.874 3.479 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccncc2Cl)C1 ZINC001190397623 1367252830 /nfs/dbraw/zinc/25/28/30/1367252830.db2.gz NAYGUQUGEIDPHG-HNNXBMFYSA-N 1 2 335.879 3.370 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccncc2Cl)C1 ZINC001190397623 1367252834 /nfs/dbraw/zinc/25/28/34/1367252834.db2.gz NAYGUQUGEIDPHG-HNNXBMFYSA-N 1 2 335.879 3.370 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2nc(C)c(C)s2)C1 ZINC001190396244 1367253383 /nfs/dbraw/zinc/25/33/83/1367253383.db2.gz DHJRABLHFAPQEH-HNNXBMFYSA-N 1 2 335.517 3.395 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2nc(C)c(C)s2)C1 ZINC001190396244 1367253391 /nfs/dbraw/zinc/25/33/91/1367253391.db2.gz DHJRABLHFAPQEH-HNNXBMFYSA-N 1 2 335.517 3.395 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2nc(C(C)C)no2)C1 ZINC001190435077 1367263771 /nfs/dbraw/zinc/26/37/71/1367263771.db2.gz CHQXPTYZLURMHZ-GJZGRUSLSA-N 1 2 334.464 3.143 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2nc(C(C)C)no2)C1 ZINC001190435077 1367263777 /nfs/dbraw/zinc/26/37/77/1367263777.db2.gz CHQXPTYZLURMHZ-GJZGRUSLSA-N 1 2 334.464 3.143 20 30 EGEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc2ccccc2o1 ZINC001109656051 1367266759 /nfs/dbraw/zinc/26/67/59/1367266759.db2.gz AYSKZZYTGALYMT-PVAVHDDUSA-N 1 2 339.439 3.406 20 30 EGEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc2ccccc2o1 ZINC001109656051 1367266762 /nfs/dbraw/zinc/26/67/62/1367266762.db2.gz AYSKZZYTGALYMT-PVAVHDDUSA-N 1 2 339.439 3.406 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001108085558 1367274941 /nfs/dbraw/zinc/27/49/41/1367274941.db2.gz DJAOPUHWOGUMLA-YJYMSZOUSA-N 1 2 330.476 3.183 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001109678784 1367277406 /nfs/dbraw/zinc/27/74/06/1367277406.db2.gz HPSINNXIOWWYOS-YEWFCNIMSA-N 1 2 331.460 3.115 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001109678784 1367277409 /nfs/dbraw/zinc/27/74/09/1367277409.db2.gz HPSINNXIOWWYOS-YEWFCNIMSA-N 1 2 331.460 3.115 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@]1(C)C[N@H+](Cc2ccc(F)cc2C)CCO1 ZINC001108119407 1367290960 /nfs/dbraw/zinc/29/09/60/1367290960.db2.gz MSUMORMYRWBSQG-HXUWFJFHSA-N 1 2 348.462 3.053 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(F)cc2C)CCO1 ZINC001108119407 1367290961 /nfs/dbraw/zinc/29/09/61/1367290961.db2.gz MSUMORMYRWBSQG-HXUWFJFHSA-N 1 2 348.462 3.053 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@]1(C)C[N@H+](Cc2ccsc2)CCO1 ZINC001108122356 1367292219 /nfs/dbraw/zinc/29/22/19/1367292219.db2.gz RNVUGJHPMCLRDX-IBGZPJMESA-N 1 2 348.512 3.039 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@]1(C)C[N@@H+](Cc2ccsc2)CCO1 ZINC001108122356 1367292221 /nfs/dbraw/zinc/29/22/21/1367292221.db2.gz RNVUGJHPMCLRDX-IBGZPJMESA-N 1 2 348.512 3.039 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@]1(C)C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC001108148837 1367310276 /nfs/dbraw/zinc/31/02/76/1367310276.db2.gz OUSZWPCDRWCMIT-OXJNMPFZSA-N 1 2 348.462 3.135 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC001108148837 1367310279 /nfs/dbraw/zinc/31/02/79/1367310279.db2.gz OUSZWPCDRWCMIT-OXJNMPFZSA-N 1 2 348.462 3.135 20 30 EGEDLO C=CCCCC(=O)NC[C@]1(C)C[N@H+]([C@@H](C)c2ccc(F)cc2)CCO1 ZINC001108173948 1367324288 /nfs/dbraw/zinc/32/42/88/1367324288.db2.gz YWHXUZFUXMJMDS-OXJNMPFZSA-N 1 2 348.462 3.450 20 30 EGEDLO C=CCCCC(=O)NC[C@]1(C)C[N@@H+]([C@@H](C)c2ccc(F)cc2)CCO1 ZINC001108173948 1367324293 /nfs/dbraw/zinc/32/42/93/1367324293.db2.gz YWHXUZFUXMJMDS-OXJNMPFZSA-N 1 2 348.462 3.450 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)CCCCCC)C1 ZINC001108336442 1367395946 /nfs/dbraw/zinc/39/59/46/1367395946.db2.gz CYEXUPNPCUYVFY-AZUAARDMSA-N 1 2 336.520 3.213 20 30 EGEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)CCCCCC)C1 ZINC001108336442 1367395950 /nfs/dbraw/zinc/39/59/50/1367395950.db2.gz CYEXUPNPCUYVFY-AZUAARDMSA-N 1 2 336.520 3.213 20 30 EGEDLO C=CCCCC(=O)N[C@@H](CNc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001109962668 1367429782 /nfs/dbraw/zinc/42/97/82/1367429782.db2.gz XMHJCPZGHOFLOK-INIZCTEOSA-N 1 2 328.460 3.325 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)CCCc2ccccc2)C1 ZINC001108425221 1367448778 /nfs/dbraw/zinc/44/87/78/1367448778.db2.gz AFFOKUNHQPTNEI-NQIIRXRSSA-N 1 2 344.499 3.039 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)CCCc2ccccc2)C1 ZINC001108425221 1367448781 /nfs/dbraw/zinc/44/87/81/1367448781.db2.gz AFFOKUNHQPTNEI-NQIIRXRSSA-N 1 2 344.499 3.039 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]([N@H+](C)Cc2nc(C)cs2)C1 ZINC001191753484 1367576695 /nfs/dbraw/zinc/57/66/95/1367576695.db2.gz FJHDLSOUGBCVNG-INIZCTEOSA-N 1 2 333.501 3.068 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2nc(C)cs2)C1 ZINC001191753484 1367576700 /nfs/dbraw/zinc/57/67/00/1367576700.db2.gz FJHDLSOUGBCVNG-INIZCTEOSA-N 1 2 333.501 3.068 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C(C)(C)C)o2)C1 ZINC001191829335 1367605453 /nfs/dbraw/zinc/60/54/53/1367605453.db2.gz PIJXSCHSIKOFLV-MRXNPFEDSA-N 1 2 345.487 3.198 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C(C)(C)C)o2)C1 ZINC001191829335 1367605454 /nfs/dbraw/zinc/60/54/54/1367605454.db2.gz PIJXSCHSIKOFLV-MRXNPFEDSA-N 1 2 345.487 3.198 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2cc(C(C)(C)C)on2)C1 ZINC001191838968 1367608579 /nfs/dbraw/zinc/60/85/79/1367608579.db2.gz MYCCLQZGXAVSEZ-KRWDZBQOSA-N 1 2 345.487 3.198 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C(C)(C)C)on2)C1 ZINC001191838968 1367608580 /nfs/dbraw/zinc/60/85/80/1367608580.db2.gz MYCCLQZGXAVSEZ-KRWDZBQOSA-N 1 2 345.487 3.198 20 30 EGEDLO C=CCC(C)(C)C(=O)NCC1(Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001110365483 1367670226 /nfs/dbraw/zinc/67/02/26/1367670226.db2.gz ISSYUAJEWDFYBE-UHFFFAOYSA-N 1 2 328.460 3.325 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3nc(C)c(C)o3)C2)CC1 ZINC001192181275 1367709835 /nfs/dbraw/zinc/70/98/35/1367709835.db2.gz UJOJAFCUTHGBLY-MRXNPFEDSA-N 1 2 331.460 3.071 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3nc(C)c(C)o3)C2)CC1 ZINC001192181275 1367709841 /nfs/dbraw/zinc/70/98/41/1367709841.db2.gz UJOJAFCUTHGBLY-MRXNPFEDSA-N 1 2 331.460 3.071 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3csc(C)n3)C2)CCC1 ZINC001192190082 1367712535 /nfs/dbraw/zinc/71/25/35/1367712535.db2.gz LMKDSQAJUWRBNW-MRXNPFEDSA-N 1 2 333.501 3.231 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3csc(C)n3)C2)CCC1 ZINC001192190082 1367712539 /nfs/dbraw/zinc/71/25/39/1367712539.db2.gz LMKDSQAJUWRBNW-MRXNPFEDSA-N 1 2 333.501 3.231 20 30 EGEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(-c2ccco2)on1 ZINC001109045946 1367738135 /nfs/dbraw/zinc/73/81/35/1367738135.db2.gz FKCANFNVRZZDJU-PMPSAXMXSA-N 1 2 341.411 3.122 20 30 EGEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(-c2ccco2)on1 ZINC001109045946 1367738138 /nfs/dbraw/zinc/73/81/38/1367738138.db2.gz FKCANFNVRZZDJU-PMPSAXMXSA-N 1 2 341.411 3.122 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001109114416 1367777243 /nfs/dbraw/zinc/77/72/43/1367777243.db2.gz KRJQKOUWNXNBAH-HNNXBMFYSA-N 1 2 342.487 3.372 20 30 EGEDLO Cc1cc(N[C@@H]2CCN(C(=O)C#CC(C)C)[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC001110512455 1367794782 /nfs/dbraw/zinc/79/47/82/1367794782.db2.gz JLAVVMKDMBANTE-IAGOWNOFSA-N 1 2 342.487 3.359 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1cc(F)ccc1F ZINC001110539260 1367818544 /nfs/dbraw/zinc/81/85/44/1367818544.db2.gz LOBNKJMYBOEGCF-LZBRWLDZSA-N 1 2 346.421 3.407 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1cc(F)ccc1F ZINC001110539260 1367818548 /nfs/dbraw/zinc/81/85/48/1367818548.db2.gz LOBNKJMYBOEGCF-LZBRWLDZSA-N 1 2 346.421 3.407 20 30 EGEDLO Cc1nc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC(C)(C)C)C3)c(C)s1 ZINC001110543882 1367822036 /nfs/dbraw/zinc/82/20/36/1367822036.db2.gz MKMBTLAJPCSHRG-INMHGKMJSA-N 1 2 345.512 3.031 20 30 EGEDLO Cc1nc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC(C)(C)C)C3)c(C)s1 ZINC001110543882 1367822042 /nfs/dbraw/zinc/82/20/42/1367822042.db2.gz MKMBTLAJPCSHRG-INMHGKMJSA-N 1 2 345.512 3.031 20 30 EGEDLO C=CCCC(=O)N1CC[C@@](C)(CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001110832545 1368015951 /nfs/dbraw/zinc/01/59/51/1368015951.db2.gz KKKJFGIHYCTJBF-IBGZPJMESA-N 1 2 328.460 3.279 20 30 EGEDLO C=CCCC(=O)NCC1(C)CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001110867787 1368045398 /nfs/dbraw/zinc/04/53/98/1368045398.db2.gz CPXNGBHGCCDFCG-UHFFFAOYSA-N 1 2 330.476 3.091 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCC1(C)CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110895505 1368069289 /nfs/dbraw/zinc/06/92/89/1368069289.db2.gz LVRZSFCKBNXIOT-LJQANCHMSA-N 1 2 330.476 3.110 20 30 EGEDLO C=CCCC1(C(=O)NC[C@]2(C)CCCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001110956822 1368122739 /nfs/dbraw/zinc/12/27/39/1368122739.db2.gz APPBLXZBARHNMO-IBGZPJMESA-N 1 2 342.487 3.254 20 30 EGEDLO C=CCCC(=O)N1CCC[C@@H](C2CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC001111166790 1368177459 /nfs/dbraw/zinc/17/74/59/1368177459.db2.gz UPILNOSMKKXBJJ-GOSISDBHSA-N 1 2 342.487 3.206 20 30 EGEDLO Cn1c[nH+]cc1-c1cccc(C(=O)N(CC#N)Cc2ccccc2)c1 ZINC001194895984 1368342658 /nfs/dbraw/zinc/34/26/58/1368342658.db2.gz YJOIJBMKTAKWEH-UHFFFAOYSA-N 1 2 330.391 3.253 20 30 EGEDLO C=CCCOc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC001195131459 1368384784 /nfs/dbraw/zinc/38/47/84/1368384784.db2.gz PKZRIDZVOQQOHS-INIZCTEOSA-N 1 2 325.412 3.384 20 30 EGEDLO CCCC[C@H](C)C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC001195716765 1368476417 /nfs/dbraw/zinc/47/64/17/1368476417.db2.gz IPBNQQGGMFLSPK-IBGZPJMESA-N 1 2 326.484 3.399 20 30 EGEDLO CCCC[C@H](C)C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001195716765 1368476420 /nfs/dbraw/zinc/47/64/20/1368476420.db2.gz IPBNQQGGMFLSPK-IBGZPJMESA-N 1 2 326.484 3.399 20 30 EGEDLO CC/C(C)=C\C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001195761438 1368483967 /nfs/dbraw/zinc/48/39/67/1368483967.db2.gz MAYBEKMXIYMGSR-MSUUIHNZSA-N 1 2 328.431 3.068 20 30 EGEDLO CC/C(C)=C\C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001195761438 1368483970 /nfs/dbraw/zinc/48/39/70/1368483970.db2.gz MAYBEKMXIYMGSR-MSUUIHNZSA-N 1 2 328.431 3.068 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001195989673 1368529387 /nfs/dbraw/zinc/52/93/87/1368529387.db2.gz DSEXTDZMHVRSTR-UHFFFAOYSA-N 1 2 325.456 3.195 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001195989673 1368529390 /nfs/dbraw/zinc/52/93/90/1368529390.db2.gz DSEXTDZMHVRSTR-UHFFFAOYSA-N 1 2 325.456 3.195 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001112000079 1368603782 /nfs/dbraw/zinc/60/37/82/1368603782.db2.gz HOIJFKWQOSUEMU-KRWDZBQOSA-N 1 2 342.487 3.494 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001112011980 1368615735 /nfs/dbraw/zinc/61/57/35/1368615735.db2.gz KOUIKOBWHGTFOA-MRXNPFEDSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001112013199 1368617556 /nfs/dbraw/zinc/61/75/56/1368617556.db2.gz AUBWNISVRSBCMT-KRWDZBQOSA-N 1 2 342.487 3.494 20 30 EGEDLO C=C/C(C)=C/CC(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001196791231 1368685471 /nfs/dbraw/zinc/68/54/71/1368685471.db2.gz XWFBMQUXSDSLTE-FZSIALSZSA-N 1 2 341.430 3.254 20 30 EGEDLO C=C/C(C)=C/CC(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001196791231 1368685475 /nfs/dbraw/zinc/68/54/75/1368685475.db2.gz XWFBMQUXSDSLTE-FZSIALSZSA-N 1 2 341.430 3.254 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2nc(C)c(C)s2)CC1 ZINC001196852872 1368698526 /nfs/dbraw/zinc/69/85/26/1368698526.db2.gz DVXPRROLCGUIMI-UONOGXRCSA-N 1 2 335.517 3.252 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2nc(C)c(C)s2)CC1 ZINC001196852872 1368698529 /nfs/dbraw/zinc/69/85/29/1368698529.db2.gz DVXPRROLCGUIMI-UONOGXRCSA-N 1 2 335.517 3.252 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001196854026 1368700384 /nfs/dbraw/zinc/70/03/84/1368700384.db2.gz OMVPHDXZOLRELZ-DLBZAZTESA-N 1 2 325.456 3.051 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001196854026 1368700385 /nfs/dbraw/zinc/70/03/85/1368700385.db2.gz OMVPHDXZOLRELZ-DLBZAZTESA-N 1 2 325.456 3.051 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001196881767 1368706499 /nfs/dbraw/zinc/70/64/99/1368706499.db2.gz YBSPQQBDHDRWCH-OAHLLOKOSA-N 1 2 331.485 3.256 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001196881767 1368706509 /nfs/dbraw/zinc/70/65/09/1368706509.db2.gz YBSPQQBDHDRWCH-OAHLLOKOSA-N 1 2 331.485 3.256 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@H+](Cc2nc(C)sc2C)CC1 ZINC001196881742 1368706588 /nfs/dbraw/zinc/70/65/88/1368706588.db2.gz XINJRXUTYKUPEY-CQSZACIVSA-N 1 2 335.517 3.397 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+](Cc2nc(C)sc2C)CC1 ZINC001196881742 1368706590 /nfs/dbraw/zinc/70/65/90/1368706590.db2.gz XINJRXUTYKUPEY-CQSZACIVSA-N 1 2 335.517 3.397 20 30 EGEDLO C=CCCC1(C(=O)N2CCC[N@H+](CC#Cc3ccccc3)CC2)CC1 ZINC001197054821 1368736212 /nfs/dbraw/zinc/73/62/12/1368736212.db2.gz CLMSEICSMRICAE-UHFFFAOYSA-N 1 2 336.479 3.319 20 30 EGEDLO C=CCCC1(C(=O)N2CCC[N@@H+](CC#Cc3ccccc3)CC2)CC1 ZINC001197054821 1368736214 /nfs/dbraw/zinc/73/62/14/1368736214.db2.gz CLMSEICSMRICAE-UHFFFAOYSA-N 1 2 336.479 3.319 20 30 EGEDLO CC[C@@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001197586675 1368846373 /nfs/dbraw/zinc/84/63/73/1368846373.db2.gz JMDNQELKMDNHAX-CVEARBPZSA-N 1 2 345.462 3.414 20 30 EGEDLO CC[C@@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001197586675 1368846375 /nfs/dbraw/zinc/84/63/75/1368846375.db2.gz JMDNQELKMDNHAX-CVEARBPZSA-N 1 2 345.462 3.414 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H](C)C1 ZINC001112473692 1368872656 /nfs/dbraw/zinc/87/26/56/1368872656.db2.gz ICAFTPGLFIMCBL-KSSFIOAISA-N 1 2 342.487 3.069 20 30 EGEDLO N#Cc1cccc(NC(=S)N2CCC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC001197709189 1368877969 /nfs/dbraw/zinc/87/79/69/1368877969.db2.gz STVMNSLSQYZRJR-QGZVFWFLSA-N 1 2 338.436 3.193 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@H](C)C1 ZINC001112486660 1368883910 /nfs/dbraw/zinc/88/39/10/1368883910.db2.gz BDOFXNSUPYYCNA-WBVHZDCISA-N 1 2 342.487 3.492 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@H](C)C1 ZINC001112502887 1368902538 /nfs/dbraw/zinc/90/25/38/1368902538.db2.gz VVPAPZCQDUPPIW-ZBFHGGJFSA-N 1 2 342.487 3.348 20 30 EGEDLO C=CCCC(=O)N1CCc2ccccc2[C@H]1CNc1cc[nH+]c(C)n1 ZINC001112764714 1368990565 /nfs/dbraw/zinc/99/05/65/1368990565.db2.gz JZYBBXPMDALWHU-GOSISDBHSA-N 1 2 336.439 3.289 20 30 EGEDLO C#CCCCCC(=O)N1CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC001112774482 1368995086 /nfs/dbraw/zinc/99/50/86/1368995086.db2.gz ZAKJAHVGBCAJRV-UHFFFAOYSA-N 1 2 340.467 3.066 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001112799830 1369012374 /nfs/dbraw/zinc/01/23/74/1369012374.db2.gz ACPHPVWJRHXIDW-QGZVFWFLSA-N 1 2 344.503 3.431 20 30 EGEDLO C#CCCCC(=O)N1CC[NH+](CCCc2ccccc2Cl)CC1 ZINC001112808446 1369020165 /nfs/dbraw/zinc/02/01/65/1369020165.db2.gz DATMMKLSCMVPRJ-UHFFFAOYSA-N 1 2 332.875 3.220 20 30 EGEDLO C#CCCCC(=O)N1CC[NH+]([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC001112808385 1369020197 /nfs/dbraw/zinc/02/01/97/1369020197.db2.gz BFLZHIQOEMQQOA-SFHVURJKSA-N 1 2 330.859 3.275 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@@H+]([C@H](C)c3cnccn3)CC2)CCCC1 ZINC001198422532 1369028497 /nfs/dbraw/zinc/02/84/97/1369028497.db2.gz APACVEGTLFNTFA-QGZVFWFLSA-N 1 2 342.487 3.208 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@H+]([C@H](C)c3cnccn3)CC2)CCCC1 ZINC001198422532 1369028503 /nfs/dbraw/zinc/02/85/03/1369028503.db2.gz APACVEGTLFNTFA-QGZVFWFLSA-N 1 2 342.487 3.208 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@@H+](Cc3cnc(C)o3)CC2)CCCC1 ZINC001198422566 1369028542 /nfs/dbraw/zinc/02/85/42/1369028542.db2.gz CEQHXHDCIHGDBA-UHFFFAOYSA-N 1 2 331.460 3.154 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@H+](Cc3cnc(C)o3)CC2)CCCC1 ZINC001198422566 1369028546 /nfs/dbraw/zinc/02/85/46/1369028546.db2.gz CEQHXHDCIHGDBA-UHFFFAOYSA-N 1 2 331.460 3.154 20 30 EGEDLO C=C(C)CCC(=O)N1CC[NH+](Cc2cccc(OCCC)c2)CC1 ZINC001112902752 1369082116 /nfs/dbraw/zinc/08/21/16/1369082116.db2.gz XFKRBDUVXZOURR-UHFFFAOYSA-N 1 2 330.472 3.476 20 30 EGEDLO C=CCOCC(=O)N[C@@H](C)[C@H](C)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001112922985 1369090632 /nfs/dbraw/zinc/09/06/32/1369090632.db2.gz CGHPEIMONFEEGW-GJZGRUSLSA-N 1 2 348.491 3.231 20 30 EGEDLO C#CCC1(C(=O)N2CC[NH+](Cc3ccc(C4CC4)cc3)CC2)CCC1 ZINC001112953250 1369107150 /nfs/dbraw/zinc/10/71/50/1369107150.db2.gz MMBLYKJVEMQTSR-UHFFFAOYSA-N 1 2 336.479 3.402 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]([NH2+]CCF)c2ccccc2OC)CC1 ZINC001198885856 1369139975 /nfs/dbraw/zinc/13/99/75/1369139975.db2.gz URLTUDRTHMSSON-QGZVFWFLSA-N 1 2 334.435 3.158 20 30 EGEDLO CC(C)c1cc(N[C@@H](C)[C@H](C)NC(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001113036141 1369155857 /nfs/dbraw/zinc/15/58/57/1369155857.db2.gz LAUUEPKIVQEZFQ-GJZGRUSLSA-N 1 2 342.487 3.442 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](Cc2cccc(OC)c2C)CC1 ZINC001113243323 1369288482 /nfs/dbraw/zinc/28/84/82/1369288482.db2.gz HLSSALDFEKROIL-MRXNPFEDSA-N 1 2 330.472 3.250 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC001113243860 1369288591 /nfs/dbraw/zinc/28/85/91/1369288591.db2.gz OZHJSLWDQOUUBO-HNNXBMFYSA-N 1 2 336.426 3.254 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H](C)[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001113255816 1369295205 /nfs/dbraw/zinc/29/52/05/1369295205.db2.gz MVPKLKJOFMXZKA-CHWSQXEVSA-N 1 2 330.476 3.181 20 30 EGEDLO C=CCCC1(C(=O)N2CC[NH+](Cc3ccc(C)c(OC)c3)CC2)CC1 ZINC001113312668 1369339829 /nfs/dbraw/zinc/33/98/29/1369339829.db2.gz IJFKOWFZWZZXJL-UHFFFAOYSA-N 1 2 342.483 3.394 20 30 EGEDLO COc1cc(OC(F)(F)F)ccc1[NH+]=C(NO)c1ccccc1N ZINC001201361026 1369526868 /nfs/dbraw/zinc/52/68/68/1369526868.db2.gz VPTFBUJOMAWNJV-UHFFFAOYSA-N 1 2 341.289 3.233 20 30 EGEDLO C=CCOCC[NH+]1CCN(C(=O)c2oc3c(cccc3C)c2C)CC1 ZINC001113682705 1369564197 /nfs/dbraw/zinc/56/41/97/1369564197.db2.gz OKXHSANYYZDWJK-UHFFFAOYSA-N 1 2 342.439 3.010 20 30 EGEDLO COc1ccc(C#N)cc1Nc1ccccc1C[NH+]1CCN(C)CC1 ZINC001201584204 1369582927 /nfs/dbraw/zinc/58/29/27/1369582927.db2.gz PRTJPVWZFOWZTF-UHFFFAOYSA-N 1 2 336.439 3.058 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3cccc(OC)c3)CC2)CCCC1 ZINC001113744529 1369598643 /nfs/dbraw/zinc/59/86/43/1369598643.db2.gz GFZOZWVKPUHAJE-UHFFFAOYSA-N 1 2 342.483 3.476 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)N(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001113822472 1369623217 /nfs/dbraw/zinc/62/32/17/1369623217.db2.gz QMNVWPRBRZOVOD-LSDHHAIUSA-N 1 2 344.503 3.207 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001114145961 1369761812 /nfs/dbraw/zinc/76/18/12/1369761812.db2.gz ZRCAWJSCEDEFJW-HWWDLCQESA-N 1 2 346.833 3.001 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001114145961 1369761814 /nfs/dbraw/zinc/76/18/14/1369761814.db2.gz ZRCAWJSCEDEFJW-HWWDLCQESA-N 1 2 346.833 3.001 20 30 EGEDLO C=CCCC(=O)NC[C@@H]1CCCCCN1c1nc(C)[nH+]c(C)c1C ZINC001114349733 1369906385 /nfs/dbraw/zinc/90/63/85/1369906385.db2.gz NHNQUTKFODKXDI-KRWDZBQOSA-N 1 2 330.476 3.233 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC001114791962 1370082876 /nfs/dbraw/zinc/08/28/76/1370082876.db2.gz MJYRLZSUYFGPMO-PASDCYSWSA-N 1 2 345.512 3.169 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC001114791962 1370082878 /nfs/dbraw/zinc/08/28/78/1370082878.db2.gz MJYRLZSUYFGPMO-PASDCYSWSA-N 1 2 345.512 3.169 20 30 EGEDLO C#CCCCC(=O)N[C@@H](C)CCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001114918021 1370148653 /nfs/dbraw/zinc/14/86/53/1370148653.db2.gz SDFODVKFPCCGLP-HNNXBMFYSA-N 1 2 330.476 3.409 20 30 EGEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1c(C)cc(C)cc1C ZINC001203742208 1370244932 /nfs/dbraw/zinc/24/49/32/1370244932.db2.gz GSZQOONIZXJDIS-LJQANCHMSA-N 1 2 340.471 3.042 20 30 EGEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1c(C)cc(C)cc1C ZINC001203742208 1370244935 /nfs/dbraw/zinc/24/49/35/1370244935.db2.gz GSZQOONIZXJDIS-LJQANCHMSA-N 1 2 340.471 3.042 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncc(C)o3)C[C@H]21 ZINC001115163053 1370321763 /nfs/dbraw/zinc/32/17/63/1370321763.db2.gz BEWVSGRGMXFFFZ-MNZLEMJZSA-N 1 2 333.476 3.280 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncc(C)o3)C[C@H]21 ZINC001115163053 1370321766 /nfs/dbraw/zinc/32/17/66/1370321766.db2.gz BEWVSGRGMXFFFZ-MNZLEMJZSA-N 1 2 333.476 3.280 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3nc(C)no3)C[C@H]21 ZINC001115165112 1370323266 /nfs/dbraw/zinc/32/32/66/1370323266.db2.gz ANNZGEYDQGLCSD-KBEGMRNHSA-N 1 2 348.491 3.236 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3nc(C)no3)C[C@H]21 ZINC001115165112 1370323271 /nfs/dbraw/zinc/32/32/71/1370323271.db2.gz ANNZGEYDQGLCSD-KBEGMRNHSA-N 1 2 348.491 3.236 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(F)c(C#N)c1)CCO2 ZINC001205472453 1370765151 /nfs/dbraw/zinc/76/51/51/1370765151.db2.gz DHUDMLPOIFSMBX-AZUAARDMSA-N 1 2 344.430 3.271 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccc(F)c(C#N)c1)CCO2 ZINC001205472453 1370765156 /nfs/dbraw/zinc/76/51/56/1370765156.db2.gz DHUDMLPOIFSMBX-AZUAARDMSA-N 1 2 344.430 3.271 20 30 EGEDLO CC(C)(C)OC(=O)NC1CC2(C1)C[NH+](Cc1ccc(F)c(C#N)c1)C2 ZINC001205493564 1370771485 /nfs/dbraw/zinc/77/14/85/1370771485.db2.gz AIQYOYJPUIAXSY-UHFFFAOYSA-N 1 2 345.418 3.186 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2coc(-c3cccs3)n2)C[C@H]1C ZINC001206508943 1371077669 /nfs/dbraw/zinc/07/76/69/1371077669.db2.gz AKRAFNLGFMOZDL-UKRRQHHQSA-N 1 2 345.468 3.306 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2coc(-c3cccs3)n2)C[C@H]1C ZINC001206508943 1371077670 /nfs/dbraw/zinc/07/76/70/1371077670.db2.gz AKRAFNLGFMOZDL-UKRRQHHQSA-N 1 2 345.468 3.306 20 30 EGEDLO N#CCc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2F)cc1C#N ZINC001206712597 1371142732 /nfs/dbraw/zinc/14/27/32/1371142732.db2.gz VPSBGHYWEKNZOC-UHFFFAOYSA-N 1 2 335.382 3.263 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(C(C)(C)C)cs2)C[C@H]1C ZINC001206911687 1371221093 /nfs/dbraw/zinc/22/10/93/1371221093.db2.gz ZARCBFUIGDHWQW-HUUCEWRRSA-N 1 2 347.528 3.181 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2nc(C(C)(C)C)cs2)C[C@H]1C ZINC001206911687 1371221096 /nfs/dbraw/zinc/22/10/96/1371221096.db2.gz ZARCBFUIGDHWQW-HUUCEWRRSA-N 1 2 347.528 3.181 20 30 EGEDLO C=CCn1cnn(C[N@@H+](CCC)Cc2ccc(OC)cc2)c1=S ZINC001118953124 1371255180 /nfs/dbraw/zinc/25/51/80/1371255180.db2.gz NOLYEJBFNODTQW-UHFFFAOYSA-N 1 2 332.473 3.478 20 30 EGEDLO C=CCn1cnn(C[N@H+](CCC)Cc2ccc(OC)cc2)c1=S ZINC001118953124 1371255181 /nfs/dbraw/zinc/25/51/81/1371255181.db2.gz NOLYEJBFNODTQW-UHFFFAOYSA-N 1 2 332.473 3.478 20 30 EGEDLO N#Cc1cc(F)cc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)c1 ZINC001118980260 1371258156 /nfs/dbraw/zinc/25/81/56/1371258156.db2.gz AWGUUIJCJYLRRC-GOSISDBHSA-N 1 2 338.386 3.086 20 30 EGEDLO N#Cc1cc(F)cc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)c1 ZINC001118980260 1371258159 /nfs/dbraw/zinc/25/81/59/1371258159.db2.gz AWGUUIJCJYLRRC-GOSISDBHSA-N 1 2 338.386 3.086 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001207157898 1371314504 /nfs/dbraw/zinc/31/45/04/1371314504.db2.gz ASXRKOASSLTVOM-UKRRQHHQSA-N 1 2 335.879 3.274 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001207157898 1371314511 /nfs/dbraw/zinc/31/45/11/1371314511.db2.gz ASXRKOASSLTVOM-UKRRQHHQSA-N 1 2 335.879 3.274 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(CC(C)C)CC2)C1 ZINC001207484678 1371409771 /nfs/dbraw/zinc/40/97/71/1371409771.db2.gz UNRWIFMLCIDYCT-TZMCWYRMSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(CC(C)C)CC2)C1 ZINC001207484678 1371409776 /nfs/dbraw/zinc/40/97/76/1371409776.db2.gz UNRWIFMLCIDYCT-TZMCWYRMSA-N 1 2 343.309 3.158 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C(C)C)o2)C1 ZINC001208193539 1371632280 /nfs/dbraw/zinc/63/22/80/1371632280.db2.gz HLBCHQUVXOCBCY-MRXNPFEDSA-N 1 2 346.475 3.042 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C[C@@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001120613654 1371648702 /nfs/dbraw/zinc/64/87/02/1371648702.db2.gz QXKAKYHSVUXYAM-CQSZACIVSA-N 1 2 328.460 3.278 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CCC)c2ccccn2)C1 ZINC001208422133 1371761648 /nfs/dbraw/zinc/76/16/48/1371761648.db2.gz HHMMSDQYZMCUOC-UKPHBRMFSA-N 1 2 335.879 3.154 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CCC)c2ccccn2)C1 ZINC001208422133 1371761654 /nfs/dbraw/zinc/76/16/54/1371761654.db2.gz HHMMSDQYZMCUOC-UKPHBRMFSA-N 1 2 335.879 3.154 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3ncoc3C(C)C)C[C@H]2C)CC1 ZINC001208500563 1371789879 /nfs/dbraw/zinc/78/98/79/1371789879.db2.gz UHWBHVIABNPCIJ-HZPDHXFCSA-N 1 2 345.487 3.481 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ncoc3C(C)C)C[C@H]2C)CC1 ZINC001208500563 1371789882 /nfs/dbraw/zinc/78/98/82/1371789882.db2.gz UHWBHVIABNPCIJ-HZPDHXFCSA-N 1 2 345.487 3.481 20 30 EGEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCCC[C@@H]1CC ZINC001121495192 1371992264 /nfs/dbraw/zinc/99/22/64/1371992264.db2.gz DHKLJXJUVFCOMO-DLBZAZTESA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCCC[C@@H]1CC ZINC001121495192 1371992269 /nfs/dbraw/zinc/99/22/69/1371992269.db2.gz DHKLJXJUVFCOMO-DLBZAZTESA-N 1 2 347.507 3.015 20 30 EGEDLO CCC[N@H+](CCC#N)CC1(F)CCN(C(=O)OC(C)(C)C)CC1 ZINC001209236518 1372046307 /nfs/dbraw/zinc/04/63/07/1372046307.db2.gz ONUDSLLXVTWZEA-UHFFFAOYSA-N 1 2 327.444 3.351 20 30 EGEDLO CCC[N@@H+](CCC#N)CC1(F)CCN(C(=O)OC(C)(C)C)CC1 ZINC001209236518 1372046309 /nfs/dbraw/zinc/04/63/09/1372046309.db2.gz ONUDSLLXVTWZEA-UHFFFAOYSA-N 1 2 327.444 3.351 20 30 EGEDLO C=CC1(CC(=O)N[C@@H]2C[N@@H+](Cc3ccon3)C[C@H]2C)CCCCC1 ZINC001209406818 1372096847 /nfs/dbraw/zinc/09/68/47/1372096847.db2.gz VJPCRZKJVYQQCU-NVXWUHKLSA-N 1 2 331.460 3.138 20 30 EGEDLO C=CC1(CC(=O)N[C@@H]2C[N@H+](Cc3ccon3)C[C@H]2C)CCCCC1 ZINC001209406818 1372096850 /nfs/dbraw/zinc/09/68/50/1372096850.db2.gz VJPCRZKJVYQQCU-NVXWUHKLSA-N 1 2 331.460 3.138 20 30 EGEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc3cc(Cl)ccc3[nH]2)CC1 ZINC001209728880 1372178090 /nfs/dbraw/zinc/17/80/90/1372178090.db2.gz XNZQLJJDVOXDGT-UHFFFAOYSA-N 1 2 331.803 3.100 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2cccnc2)C(C)C)C1 ZINC001209769103 1372190224 /nfs/dbraw/zinc/19/02/24/1372190224.db2.gz INNCRGALKJKFNV-KBRIMQKVSA-N 1 2 335.879 3.010 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2cccnc2)C(C)C)C1 ZINC001209769103 1372190229 /nfs/dbraw/zinc/19/02/29/1372190229.db2.gz INNCRGALKJKFNV-KBRIMQKVSA-N 1 2 335.879 3.010 20 30 EGEDLO N#Cc1cc(F)c(Nc2ccccc2C[NH+]2CCOCC2)cc1F ZINC001209928933 1372232949 /nfs/dbraw/zinc/23/29/49/1372232949.db2.gz JOEWJOCVTBEESA-UHFFFAOYSA-N 1 2 329.350 3.412 20 30 EGEDLO N#Cc1c(F)cc(F)cc1Nc1ccccc1C[NH+]1CCOCC1 ZINC001209933409 1372235224 /nfs/dbraw/zinc/23/52/24/1372235224.db2.gz KNSMQOWDHFPBIV-UHFFFAOYSA-N 1 2 329.350 3.412 20 30 EGEDLO Cc1nc(N2C[C@@H](C)O[C@@H](C)C2)cc(NC2=CC(=O)CC(C)(C)C2)[nH+]1 ZINC001210149342 1372282257 /nfs/dbraw/zinc/28/22/57/1372282257.db2.gz PKNPXWZXYWSMTK-BETUJISGSA-N 1 2 344.459 3.084 20 30 EGEDLO O=C(OCC#Cc1ccccn1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001123048731 1372369664 /nfs/dbraw/zinc/36/96/64/1372369664.db2.gz MQDPLKFMYLWDSU-HXUWFJFHSA-N 1 2 334.419 3.031 20 30 EGEDLO O=C(OCC#Cc1ccccn1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001123048731 1372369666 /nfs/dbraw/zinc/36/96/66/1372369666.db2.gz MQDPLKFMYLWDSU-HXUWFJFHSA-N 1 2 334.419 3.031 20 30 EGEDLO Cc1cc(N[C@H]2C[C@H](C)N(C(=O)C#CC(C)(C)C)C2)nc(C2CC2)[nH+]1 ZINC001123202959 1372396498 /nfs/dbraw/zinc/39/64/98/1372396498.db2.gz MIZZAQDIVQYMBW-HOCLYGCPSA-N 1 2 340.471 3.113 20 30 EGEDLO C#CCCCC(=O)N1C[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001123225006 1372401163 /nfs/dbraw/zinc/40/11/63/1372401163.db2.gz UVSDQNMKBFCOOB-HZPDHXFCSA-N 1 2 328.460 3.113 20 30 EGEDLO C=CCCCC(=O)N1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C[C@H]1C ZINC001123308894 1372420607 /nfs/dbraw/zinc/42/06/07/1372420607.db2.gz HRLMHVFUGJYJLM-GDBMZVCRSA-N 1 2 342.487 3.421 20 30 EGEDLO CCOC(=O)c1cc(C#N)c(Nc2cc(C)[nH+]c(OC)c2)c(C)c1O ZINC001210780768 1372425578 /nfs/dbraw/zinc/42/55/78/1372425578.db2.gz RGOUGYBSBPNMMQ-UHFFFAOYSA-N 1 2 341.367 3.205 20 30 EGEDLO CCCCCCCCC(=O)N1CCC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001210805108 1372430048 /nfs/dbraw/zinc/43/00/48/1372430048.db2.gz QZNFJOKFHYHQQA-OAHLLOKOSA-N 1 2 338.521 3.369 20 30 EGEDLO CC#Cc1cncc(Nc2cc[nH+]c3ccc(C(=O)OCC)cc23)c1 ZINC001211056970 1372479153 /nfs/dbraw/zinc/47/91/53/1372479153.db2.gz ZZRBGQDBSHYTKJ-UHFFFAOYSA-N 1 2 331.375 3.343 20 30 EGEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cscn2)C[C@H]1C)c1ccccc1 ZINC001211240994 1372509957 /nfs/dbraw/zinc/50/99/57/1372509957.db2.gz FBUNRWPEVTYLHZ-ZTFGCOKTSA-N 1 2 341.480 3.049 20 30 EGEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cscn2)C[C@H]1C)c1ccccc1 ZINC001211240994 1372509959 /nfs/dbraw/zinc/50/99/59/1372509959.db2.gz FBUNRWPEVTYLHZ-ZTFGCOKTSA-N 1 2 341.480 3.049 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@H]1C ZINC001123661134 1372546771 /nfs/dbraw/zinc/54/67/71/1372546771.db2.gz JZHLUSPVQZZZLA-RDJZCZTQSA-N 1 2 330.476 3.232 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001123661132 1372546803 /nfs/dbraw/zinc/54/68/03/1372546803.db2.gz JZHLUSPVQZZZLA-NVXWUHKLSA-N 1 2 330.476 3.232 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)[C@H]1C ZINC001123661998 1372547194 /nfs/dbraw/zinc/54/71/94/1372547194.db2.gz OCORNRBJQPAMCJ-RDJZCZTQSA-N 1 2 342.487 3.492 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C(C)C)o3)C[C@H]21 ZINC001188063711 1388233227 /nfs/dbraw/zinc/23/32/27/1388233227.db2.gz ODOIFYURBGDKKQ-JKSUJKDBSA-N 1 2 345.487 3.433 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C(C)C)o3)C[C@H]21 ZINC001188063711 1388233231 /nfs/dbraw/zinc/23/32/31/1388233231.db2.gz ODOIFYURBGDKKQ-JKSUJKDBSA-N 1 2 345.487 3.433 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H](C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001126748294 1373012553 /nfs/dbraw/zinc/01/25/53/1373012553.db2.gz UDNFKRQXIDPMDA-AWEZNQCLSA-N 1 2 330.476 3.108 20 30 EGEDLO C=CCCC(=O)NCc1cnn2c1C[N@@H+](CC/C=C/CCC)CC2 ZINC001128259521 1373243374 /nfs/dbraw/zinc/24/33/74/1373243374.db2.gz IAZLATROYQIJHK-BQYQJAHWSA-N 1 2 330.476 3.028 20 30 EGEDLO C=CCCC(=O)NCc1cnn2c1C[N@H+](CC/C=C/CCC)CC2 ZINC001128259521 1373243368 /nfs/dbraw/zinc/24/33/68/1373243368.db2.gz IAZLATROYQIJHK-BQYQJAHWSA-N 1 2 330.476 3.028 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CC3(C)C)c2C1 ZINC001128301166 1373248785 /nfs/dbraw/zinc/24/87/85/1373248785.db2.gz RMVYECMCYIIGMZ-KRWDZBQOSA-N 1 2 346.519 3.331 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CC3(C)C)c2C1 ZINC001128301166 1373248788 /nfs/dbraw/zinc/24/87/88/1373248788.db2.gz RMVYECMCYIIGMZ-KRWDZBQOSA-N 1 2 346.519 3.331 20 30 EGEDLO C=C1CC(C)(C(=O)NCc2cnn3c2C[N@H+](CCCCCC)CC3)C1 ZINC001128489982 1373277324 /nfs/dbraw/zinc/27/73/24/1373277324.db2.gz WQPMVPZWRGTDDG-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO C=C1CC(C)(C(=O)NCc2cnn3c2C[N@@H+](CCCCCC)CC3)C1 ZINC001128489982 1373277326 /nfs/dbraw/zinc/27/73/26/1373277326.db2.gz WQPMVPZWRGTDDG-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CC34CC4)c2C1 ZINC001128504361 1373278541 /nfs/dbraw/zinc/27/85/41/1373278541.db2.gz NBXQWRAOWMPKSH-QGZVFWFLSA-N 1 2 344.503 3.085 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CC34CC4)c2C1 ZINC001128504361 1373278542 /nfs/dbraw/zinc/27/85/42/1373278542.db2.gz NBXQWRAOWMPKSH-QGZVFWFLSA-N 1 2 344.503 3.085 20 30 EGEDLO C=CCCC[N@@H+]1Cc2cnn(C3CCN(C(=O)C(C)(C)F)CC3)c2C1 ZINC001130161398 1373465643 /nfs/dbraw/zinc/46/56/43/1373465643.db2.gz TYQPIYJTVPQOSZ-UHFFFAOYSA-N 1 2 348.466 3.077 20 30 EGEDLO C=CCCC[N@H+]1Cc2cnn(C3CCN(C(=O)C(C)(C)F)CC3)c2C1 ZINC001130161398 1373465646 /nfs/dbraw/zinc/46/56/46/1373465646.db2.gz TYQPIYJTVPQOSZ-UHFFFAOYSA-N 1 2 348.466 3.077 20 30 EGEDLO C=CCCC[N@@H+]1Cc2cnn(C3CCN(C(=O)CCC)CC3)c2C1 ZINC001130161239 1373465877 /nfs/dbraw/zinc/46/58/77/1373465877.db2.gz RMLJWMUQRNUTBS-UHFFFAOYSA-N 1 2 330.476 3.129 20 30 EGEDLO C=CCCC[N@H+]1Cc2cnn(C3CCN(C(=O)CCC)CC3)c2C1 ZINC001130161239 1373465879 /nfs/dbraw/zinc/46/58/79/1373465879.db2.gz RMLJWMUQRNUTBS-UHFFFAOYSA-N 1 2 330.476 3.129 20 30 EGEDLO C=CCCC(=O)N1CCC(n2ncc3c2C[N@H+](CCCC)C3)CC1 ZINC001130163384 1373466514 /nfs/dbraw/zinc/46/65/14/1373466514.db2.gz IZSQPNRTQRLKEH-UHFFFAOYSA-N 1 2 330.476 3.129 20 30 EGEDLO C=CCCC(=O)N1CCC(n2ncc3c2C[N@@H+](CCCC)C3)CC1 ZINC001130163384 1373466520 /nfs/dbraw/zinc/46/65/20/1373466520.db2.gz IZSQPNRTQRLKEH-UHFFFAOYSA-N 1 2 330.476 3.129 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CC(C)(C)CC)C[C@@H](C)O2 ZINC001131661612 1373749724 /nfs/dbraw/zinc/74/97/24/1373749724.db2.gz OSTUBDHXNAWIGG-QAPCUYQASA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)CC(C)(C)CC)C[C@@H](C)O2 ZINC001131661612 1373749719 /nfs/dbraw/zinc/74/97/19/1373749719.db2.gz OSTUBDHXNAWIGG-QAPCUYQASA-N 1 2 342.911 3.257 20 30 EGEDLO CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131855997 1373841895 /nfs/dbraw/zinc/84/18/95/1373841895.db2.gz GLLRXLSXWUKALL-KSSFIOAISA-N 1 2 331.435 3.357 20 30 EGEDLO CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131855997 1373841898 /nfs/dbraw/zinc/84/18/98/1373841898.db2.gz GLLRXLSXWUKALL-KSSFIOAISA-N 1 2 331.435 3.357 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001131972042 1375077691 /nfs/dbraw/zinc/07/76/91/1375077691.db2.gz PBRBCLFQGKWUNV-DOTOQJQBSA-N 1 2 347.890 3.398 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001131972042 1375077693 /nfs/dbraw/zinc/07/76/93/1375077693.db2.gz PBRBCLFQGKWUNV-DOTOQJQBSA-N 1 2 347.890 3.398 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001131977448 1375079535 /nfs/dbraw/zinc/07/95/35/1375079535.db2.gz XKIGYNCUZFFBSX-ZWKOTPCHSA-N 1 2 344.503 3.127 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001131977448 1375079540 /nfs/dbraw/zinc/07/95/40/1375079540.db2.gz XKIGYNCUZFFBSX-ZWKOTPCHSA-N 1 2 344.503 3.127 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1cccc(Cl)c1F ZINC001132046238 1375116043 /nfs/dbraw/zinc/11/60/43/1375116043.db2.gz NJHYYZDFCFXWAH-XJKSGUPXSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1cccc(Cl)c1F ZINC001132046238 1375116045 /nfs/dbraw/zinc/11/60/45/1375116045.db2.gz NJHYYZDFCFXWAH-XJKSGUPXSA-N 1 2 348.849 3.362 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(C)on2)C1 ZINC001132056643 1375122249 /nfs/dbraw/zinc/12/22/49/1375122249.db2.gz ARSLCSGBYPRVRV-WMLDXEAASA-N 1 2 331.460 3.221 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cc(C)on2)C1 ZINC001132056643 1375122255 /nfs/dbraw/zinc/12/22/55/1375122255.db2.gz ARSLCSGBYPRVRV-WMLDXEAASA-N 1 2 331.460 3.221 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc3n(n2)CCCC3)C1 ZINC001132071403 1375133240 /nfs/dbraw/zinc/13/32/40/1375133240.db2.gz ADUJQJUJKBTOQU-IRXDYDNUSA-N 1 2 344.503 3.045 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc3n(n2)CCCC3)C1 ZINC001132071403 1375133243 /nfs/dbraw/zinc/13/32/43/1375133243.db2.gz ADUJQJUJKBTOQU-IRXDYDNUSA-N 1 2 344.503 3.045 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001132218836 1375216595 /nfs/dbraw/zinc/21/65/95/1375216595.db2.gz WVZHXUBVFOUEDW-ZFWWWQNUSA-N 1 2 335.879 3.416 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cccc(Cl)n2)C1 ZINC001132218836 1375216599 /nfs/dbraw/zinc/21/65/99/1375216599.db2.gz WVZHXUBVFOUEDW-ZFWWWQNUSA-N 1 2 335.879 3.416 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cncc(F)c2)C1 ZINC001132330359 1375310335 /nfs/dbraw/zinc/31/03/35/1375310335.db2.gz GGNRZCRXEAZSSD-PBHICJAKSA-N 1 2 333.451 3.292 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cncc(F)c2)C1 ZINC001132330359 1375310337 /nfs/dbraw/zinc/31/03/37/1375310337.db2.gz GGNRZCRXEAZSSD-PBHICJAKSA-N 1 2 333.451 3.292 20 30 EGEDLO CC(C)=C(F)C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001226885051 1375352258 /nfs/dbraw/zinc/35/22/58/1375352258.db2.gz VFGPFNOFXDZYMV-UHFFFAOYSA-N 1 2 333.382 3.041 20 30 EGEDLO CC#CCCCC(=O)NC1CC[NH+]([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC001228712073 1375648770 /nfs/dbraw/zinc/64/87/70/1375648770.db2.gz HGPKKSYBQSCFBX-HNNXBMFYSA-N 1 2 346.475 3.028 20 30 EGEDLO C=C[C@@H](C(=O)NC1CC[NH+](Cc2nocc2C)CC1)c1ccccc1 ZINC001230334101 1376001243 /nfs/dbraw/zinc/00/12/43/1376001243.db2.gz HIMHVUJOKVBHNN-GOSISDBHSA-N 1 2 339.439 3.033 20 30 EGEDLO C=CCC1(C(=O)NC2CC[NH+](Cc3ncc(CC)o3)CC2)CCCC1 ZINC001230469850 1376033524 /nfs/dbraw/zinc/03/35/24/1376033524.db2.gz TYFQLKJRSUPVLR-UHFFFAOYSA-N 1 2 345.487 3.454 20 30 EGEDLO CC(C)CC(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001230650828 1376116026 /nfs/dbraw/zinc/11/60/26/1376116026.db2.gz INHITTLJKIVDCG-GOSISDBHSA-N 1 2 332.875 3.270 20 30 EGEDLO CC(C)CC(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001230650828 1376116031 /nfs/dbraw/zinc/11/60/31/1376116031.db2.gz INHITTLJKIVDCG-GOSISDBHSA-N 1 2 332.875 3.270 20 30 EGEDLO CCC(CC)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001230829711 1376162713 /nfs/dbraw/zinc/16/27/13/1376162713.db2.gz QUSDGEINAZVJMC-KRWDZBQOSA-N 1 2 331.435 3.166 20 30 EGEDLO CCC(CC)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001230829711 1376162716 /nfs/dbraw/zinc/16/27/16/1376162716.db2.gz QUSDGEINAZVJMC-KRWDZBQOSA-N 1 2 331.435 3.166 20 30 EGEDLO CCC[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001231311399 1376226228 /nfs/dbraw/zinc/22/62/28/1376226228.db2.gz IQYBMZQOPMPZOA-PBHICJAKSA-N 1 2 331.435 3.166 20 30 EGEDLO CCC[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001231311399 1376226232 /nfs/dbraw/zinc/22/62/32/1376226232.db2.gz IQYBMZQOPMPZOA-PBHICJAKSA-N 1 2 331.435 3.166 20 30 EGEDLO COc1ncc(F)cc1C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001231740303 1376311460 /nfs/dbraw/zinc/31/14/60/1376311460.db2.gz HYTOZLOXCYGCMC-UHFFFAOYSA-N 1 2 325.387 3.287 20 30 EGEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)c(Cl)c2)C[C@@]1(O)C(F)(F)F ZINC001232112283 1376400683 /nfs/dbraw/zinc/40/06/83/1376400683.db2.gz SJKCKALQVSHIMR-YGRLFVJLSA-N 1 2 332.753 3.347 20 30 EGEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(Cl)c2)C[C@@]1(O)C(F)(F)F ZINC001232112283 1376400684 /nfs/dbraw/zinc/40/06/84/1376400684.db2.gz SJKCKALQVSHIMR-YGRLFVJLSA-N 1 2 332.753 3.347 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232678990 1376499902 /nfs/dbraw/zinc/49/99/02/1376499902.db2.gz XJZFALWQFFUXSQ-CJNGLKHVSA-N 1 2 345.443 3.141 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(C#N)ccc1O ZINC001232678990 1376499903 /nfs/dbraw/zinc/49/99/03/1376499903.db2.gz XJZFALWQFFUXSQ-CJNGLKHVSA-N 1 2 345.443 3.141 20 30 EGEDLO C[N@@H+](Cc1cc(C#N)ccc1O)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001232678398 1376500387 /nfs/dbraw/zinc/50/03/87/1376500387.db2.gz XQDYORNNXVXPCU-INIZCTEOSA-N 1 2 345.443 3.095 20 30 EGEDLO C[N@H+](Cc1cc(C#N)ccc1O)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001232678398 1376500391 /nfs/dbraw/zinc/50/03/91/1376500391.db2.gz XQDYORNNXVXPCU-INIZCTEOSA-N 1 2 345.443 3.095 20 30 EGEDLO COc1ccccc1O[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001232890520 1376534587 /nfs/dbraw/zinc/53/45/87/1376534587.db2.gz HFLGBEYZYJWXPV-QGZVFWFLSA-N 1 2 326.371 3.359 20 30 EGEDLO COc1ccccc1O[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001232890520 1376534594 /nfs/dbraw/zinc/53/45/94/1376534594.db2.gz HFLGBEYZYJWXPV-QGZVFWFLSA-N 1 2 326.371 3.359 20 30 EGEDLO Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)c(C#N)c1 ZINC001232963166 1376549285 /nfs/dbraw/zinc/54/92/85/1376549285.db2.gz YSGLZQNQDVXIAU-QGZVFWFLSA-N 1 2 341.455 3.356 20 30 EGEDLO Cc1ccc(C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)c(C#N)c1 ZINC001232963166 1376549289 /nfs/dbraw/zinc/54/92/89/1376549289.db2.gz YSGLZQNQDVXIAU-QGZVFWFLSA-N 1 2 341.455 3.356 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1)C(=O)CC1CCC1 ZINC001233518962 1376659923 /nfs/dbraw/zinc/65/99/23/1376659923.db2.gz CXUTYQNVUPMAIJ-LJQANCHMSA-N 1 2 344.886 3.414 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1)C(=O)CC1CCC1 ZINC001233518962 1376659927 /nfs/dbraw/zinc/65/99/27/1376659927.db2.gz CXUTYQNVUPMAIJ-LJQANCHMSA-N 1 2 344.886 3.414 20 30 EGEDLO C/C=C(/C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC001233549456 1376667628 /nfs/dbraw/zinc/66/76/28/1376667628.db2.gz MQHLUVJYDYEFRU-XTQXNGTCSA-N 1 2 330.859 3.190 20 30 EGEDLO C/C=C(/C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001233549456 1376667635 /nfs/dbraw/zinc/66/76/35/1376667635.db2.gz MQHLUVJYDYEFRU-XTQXNGTCSA-N 1 2 330.859 3.190 20 30 EGEDLO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(F)ccc1OC ZINC001233800825 1376719543 /nfs/dbraw/zinc/71/95/43/1376719543.db2.gz KNLYOLIZTILBMJ-SFHVURJKSA-N 1 2 346.446 3.061 20 30 EGEDLO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cc(F)ccc1OC ZINC001233800825 1376719550 /nfs/dbraw/zinc/71/95/50/1376719550.db2.gz KNLYOLIZTILBMJ-SFHVURJKSA-N 1 2 346.446 3.061 20 30 EGEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)c1ccc(F)c(F)c1 ZINC001234128900 1376772839 /nfs/dbraw/zinc/77/28/39/1376772839.db2.gz FLNLDODCENRPOG-ZBFHGGJFSA-N 1 2 334.410 3.218 20 30 EGEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)c1ccc(F)c(F)c1 ZINC001234128900 1376772840 /nfs/dbraw/zinc/77/28/40/1376772840.db2.gz FLNLDODCENRPOG-ZBFHGGJFSA-N 1 2 334.410 3.218 20 30 EGEDLO COc1cc(C[N@@H+]2CC[C@H]2CN(C)C(=O)C#CC(C)C)ccc1Cl ZINC001234162836 1376781360 /nfs/dbraw/zinc/78/13/60/1376781360.db2.gz VQXMZMYPMVGICQ-INIZCTEOSA-N 1 2 348.874 3.041 20 30 EGEDLO COc1cc(C[N@H+]2CC[C@H]2CN(C)C(=O)C#CC(C)C)ccc1Cl ZINC001234162836 1376781374 /nfs/dbraw/zinc/78/13/74/1376781374.db2.gz VQXMZMYPMVGICQ-INIZCTEOSA-N 1 2 348.874 3.041 20 30 EGEDLO COc1ccc(-c2ccc(F)c(C#N)c2)cc1C[NH+]1CCOCC1 ZINC001235897561 1376913943 /nfs/dbraw/zinc/91/39/43/1376913943.db2.gz BOLKEUMTLADSND-UHFFFAOYSA-N 1 2 326.371 3.205 20 30 EGEDLO C=CC1(CC(=O)NCC[NH2+]Cc2nc(C(C)(C)C)no2)CCCCC1 ZINC001135190533 1376963470 /nfs/dbraw/zinc/96/34/70/1376963470.db2.gz GNADUFMJNHGIRV-UHFFFAOYSA-N 1 2 348.491 3.100 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)cc3Cl)C[C@H]21 ZINC001238084289 1376994773 /nfs/dbraw/zinc/99/47/73/1376994773.db2.gz GAIBQMIOTQFVDI-GDBMZVCRSA-N 1 2 347.846 3.263 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(C#N)cc3Cl)C[C@H]21 ZINC001238084289 1376994782 /nfs/dbraw/zinc/99/47/82/1376994782.db2.gz GAIBQMIOTQFVDI-GDBMZVCRSA-N 1 2 347.846 3.263 20 30 EGEDLO COC(=O)[C@@H]([NH3+])c1ccc(-c2ccc(C(F)(F)F)cc2C#N)cc1 ZINC001238844640 1377002773 /nfs/dbraw/zinc/00/27/73/1377002773.db2.gz ONWKLIPHWDMTOZ-HNNXBMFYSA-N 1 2 334.297 3.417 20 30 EGEDLO CC/C=C(\C)C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001189178820 1388475844 /nfs/dbraw/zinc/47/58/44/1388475844.db2.gz LKAMTEJTODUYNM-YQZWLSSOSA-N 1 2 329.419 3.086 20 30 EGEDLO CC/C=C(\C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001189178820 1388475848 /nfs/dbraw/zinc/47/58/48/1388475848.db2.gz LKAMTEJTODUYNM-YQZWLSSOSA-N 1 2 329.419 3.086 20 30 EGEDLO Cc1cc(C)c(C(=O)N(C)CC[N@H+](C)Cc2cc(C#N)ccc2F)o1 ZINC001268232059 1377499077 /nfs/dbraw/zinc/49/90/77/1377499077.db2.gz JOOQDEUJTSZTIU-UHFFFAOYSA-N 1 2 343.402 3.111 20 30 EGEDLO Cc1cc(C)c(C(=O)N(C)CC[N@@H+](C)Cc2cc(C#N)ccc2F)o1 ZINC001268232059 1377499079 /nfs/dbraw/zinc/49/90/79/1377499079.db2.gz JOOQDEUJTSZTIU-UHFFFAOYSA-N 1 2 343.402 3.111 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)CCC)C1 ZINC001189271262 1388503868 /nfs/dbraw/zinc/50/38/68/1388503868.db2.gz YZSWFKPGTIRPBP-TZMCWYRMSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)CCC)C1 ZINC001189271262 1388503874 /nfs/dbraw/zinc/50/38/74/1388503874.db2.gz YZSWFKPGTIRPBP-TZMCWYRMSA-N 1 2 331.298 3.254 20 30 EGEDLO COc1ccc(CN2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)c(C#N)c1 ZINC001137706956 1377600812 /nfs/dbraw/zinc/60/08/12/1377600812.db2.gz YDZUIZBGYVQPKF-SFHVURJKSA-N 1 2 349.425 3.262 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1scnc1Cl)C2 ZINC001137820961 1377622176 /nfs/dbraw/zinc/62/21/76/1377622176.db2.gz BGUZSOUOFCJURE-DOMZBBRYSA-N 1 2 328.865 3.123 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1scnc1Cl)C2 ZINC001137820961 1377622177 /nfs/dbraw/zinc/62/21/77/1377622177.db2.gz BGUZSOUOFCJURE-DOMZBBRYSA-N 1 2 328.865 3.123 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1c(O)cccc1F)CCO2 ZINC001137835893 1377625416 /nfs/dbraw/zinc/62/54/16/1377625416.db2.gz QTRMILJFAGPFJC-DNVCBOLYSA-N 1 2 335.419 3.105 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1c(O)cccc1F)CCO2 ZINC001137835893 1377625418 /nfs/dbraw/zinc/62/54/18/1377625418.db2.gz QTRMILJFAGPFJC-DNVCBOLYSA-N 1 2 335.419 3.105 20 30 EGEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2cccnc2F)CC1 ZINC001138794294 1377786214 /nfs/dbraw/zinc/78/62/14/1377786214.db2.gz SUNQZTDQBXYUET-UHFFFAOYSA-N 1 2 341.386 3.144 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC001138912043 1377802540 /nfs/dbraw/zinc/80/25/40/1377802540.db2.gz WDZDDARXWZTJSV-CQSZACIVSA-N 1 2 340.370 3.165 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC001138912043 1377802541 /nfs/dbraw/zinc/80/25/41/1377802541.db2.gz WDZDDARXWZTJSV-CQSZACIVSA-N 1 2 340.370 3.165 20 30 EGEDLO C#C[C@H]1CCC[N@@H+](Cc2cc(OC)c(Br)cc2OC)C1 ZINC001138913323 1377802991 /nfs/dbraw/zinc/80/29/91/1377802991.db2.gz BMPJHAQUSPQQGS-LBPRGKRZSA-N 1 2 338.245 3.312 20 30 EGEDLO C#C[C@H]1CCC[N@H+](Cc2cc(OC)c(Br)cc2OC)C1 ZINC001138913323 1377802993 /nfs/dbraw/zinc/80/29/93/1377802993.db2.gz BMPJHAQUSPQQGS-LBPRGKRZSA-N 1 2 338.245 3.312 20 30 EGEDLO N#Cc1cccc(N2CC[NH+](Cc3ccc(C(F)(F)F)cn3)CC2)c1 ZINC001139016109 1377818752 /nfs/dbraw/zinc/81/87/52/1377818752.db2.gz JMGZQFPRUBXPLZ-UHFFFAOYSA-N 1 2 346.356 3.294 20 30 EGEDLO C=CCC[N@H+](Cc1ccccc1)Cc1ccc(S(C)(=O)=O)nc1 ZINC001139637853 1377923614 /nfs/dbraw/zinc/92/36/14/1377923614.db2.gz NWPKRLMTOKQIPK-UHFFFAOYSA-N 1 2 330.453 3.063 20 30 EGEDLO C=CCC[N@@H+](Cc1ccccc1)Cc1ccc(S(C)(=O)=O)nc1 ZINC001139637853 1377923615 /nfs/dbraw/zinc/92/36/15/1377923615.db2.gz NWPKRLMTOKQIPK-UHFFFAOYSA-N 1 2 330.453 3.063 20 30 EGEDLO N#Cc1ccc(F)c(CN2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)c1 ZINC001139650406 1377926559 /nfs/dbraw/zinc/92/65/59/1377926559.db2.gz FVOGONVWIVYGNI-QGZVFWFLSA-N 1 2 337.389 3.393 20 30 EGEDLO Cc1ccc(C[N@@H+]2CCC[C@@H]3[C@H]2CN3C(=O)OC(C)(C)C)cc1C#N ZINC001139724968 1377942018 /nfs/dbraw/zinc/94/20/18/1377942018.db2.gz XZGLKHGWWSXXSY-QZTJIDSGSA-N 1 2 341.455 3.450 20 30 EGEDLO Cc1ccc(C[N@H+]2CCC[C@@H]3[C@H]2CN3C(=O)OC(C)(C)C)cc1C#N ZINC001139724968 1377942019 /nfs/dbraw/zinc/94/20/19/1377942019.db2.gz XZGLKHGWWSXXSY-QZTJIDSGSA-N 1 2 341.455 3.450 20 30 EGEDLO N#Cc1cc(F)cc(CN2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)c1 ZINC001139879011 1377970352 /nfs/dbraw/zinc/97/03/52/1377970352.db2.gz DTZBZTRDCZQGAE-KRWDZBQOSA-N 1 2 337.389 3.393 20 30 EGEDLO CC(C)(C)OC(=O)Nc1nc(C[NH+]2CCC(S)CC2)cs1 ZINC001140310298 1378044429 /nfs/dbraw/zinc/04/44/29/1378044429.db2.gz PZBCNPBDJIXVIE-UHFFFAOYSA-N 1 2 329.491 3.384 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(Cl)cc1O ZINC001140465788 1378067746 /nfs/dbraw/zinc/06/77/46/1378067746.db2.gz VHISXBHTANWPRU-MRXNPFEDSA-N 1 2 347.846 3.081 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001140465788 1378067748 /nfs/dbraw/zinc/06/77/48/1378067748.db2.gz VHISXBHTANWPRU-MRXNPFEDSA-N 1 2 347.846 3.081 20 30 EGEDLO COc1ccc(O[C@H]2CCC[N@H+](Cc3ccc(F)cc3C#N)C2)nc1 ZINC001141167893 1378258996 /nfs/dbraw/zinc/25/89/96/1378258996.db2.gz DGIOUULLGMOETC-SFHVURJKSA-N 1 2 341.386 3.144 20 30 EGEDLO COc1ccc(O[C@H]2CCC[N@@H+](Cc3ccc(F)cc3C#N)C2)nc1 ZINC001141167893 1378259001 /nfs/dbraw/zinc/25/90/01/1378259001.db2.gz DGIOUULLGMOETC-SFHVURJKSA-N 1 2 341.386 3.144 20 30 EGEDLO CCc1noc(C2CC[NH+](Cc3ccc(C#N)c(SC)n3)CC2)n1 ZINC001141943942 1378396528 /nfs/dbraw/zinc/39/65/28/1378396528.db2.gz QHHLTWNAHBGEJA-UHFFFAOYSA-N 1 2 343.456 3.000 20 30 EGEDLO CSc1nc(C[N@@H+]2CCOC[C@H]2C2CCCCC2)ccc1C#N ZINC001141945833 1378397126 /nfs/dbraw/zinc/39/71/26/1378397126.db2.gz OGOOXLKGTSJQPT-KRWDZBQOSA-N 1 2 331.485 3.456 20 30 EGEDLO CSc1nc(C[N@H+]2CCOC[C@H]2C2CCCCC2)ccc1C#N ZINC001141945833 1378397127 /nfs/dbraw/zinc/39/71/27/1378397127.db2.gz OGOOXLKGTSJQPT-KRWDZBQOSA-N 1 2 331.485 3.456 20 30 EGEDLO C=CCOC(=O)N1CC[NH+](Cc2c(C)onc2-c2ccccc2)CC1 ZINC001141992305 1378402408 /nfs/dbraw/zinc/40/24/08/1378402408.db2.gz KJVHTQGUMYPZAT-UHFFFAOYSA-N 1 2 341.411 3.090 20 30 EGEDLO N#Cc1ccc2c(C[N@@H+]3CCO[C@@H](COc4ccccc4)C3)c[nH]c2c1 ZINC001142922731 1378509784 /nfs/dbraw/zinc/50/97/84/1378509784.db2.gz SMCBVSTWLCFZRM-LJQANCHMSA-N 1 2 347.418 3.319 20 30 EGEDLO N#Cc1ccc2c(C[N@H+]3CCO[C@@H](COc4ccccc4)C3)c[nH]c2c1 ZINC001142922731 1378509786 /nfs/dbraw/zinc/50/97/86/1378509786.db2.gz SMCBVSTWLCFZRM-LJQANCHMSA-N 1 2 347.418 3.319 20 30 EGEDLO C[C@H]1C[N@H+](Cc2c(F)ccc(C#N)c2F)CCC[C@@]1(O)C(F)(F)F ZINC001143164093 1378551738 /nfs/dbraw/zinc/55/17/38/1378551738.db2.gz ADBDAUAFXGIOCO-BONVTDFDSA-N 1 2 348.315 3.362 20 30 EGEDLO C[C@H]1C[N@@H+](Cc2c(F)ccc(C#N)c2F)CCC[C@@]1(O)C(F)(F)F ZINC001143164093 1378551742 /nfs/dbraw/zinc/55/17/42/1378551742.db2.gz ADBDAUAFXGIOCO-BONVTDFDSA-N 1 2 348.315 3.362 20 30 EGEDLO COc1ccnc(O[C@@H]2CC[N@H+](Cc3c(Cl)cccc3C#N)C2)c1 ZINC001143732799 1378639741 /nfs/dbraw/zinc/63/97/41/1378639741.db2.gz UPGTVCHUQBDLHX-OAHLLOKOSA-N 1 2 343.814 3.269 20 30 EGEDLO COc1ccnc(O[C@@H]2CC[N@@H+](Cc3c(Cl)cccc3C#N)C2)c1 ZINC001143732799 1378639746 /nfs/dbraw/zinc/63/97/46/1378639746.db2.gz UPGTVCHUQBDLHX-OAHLLOKOSA-N 1 2 343.814 3.269 20 30 EGEDLO COc1ccc([C@H]2CSCC[N@@H+]2Cc2cncc(C#N)c2)cc1 ZINC001144079285 1378680667 /nfs/dbraw/zinc/68/06/67/1378680667.db2.gz GUFYYOMJFVTZBC-GOSISDBHSA-N 1 2 325.437 3.252 20 30 EGEDLO COc1ccc([C@H]2CSCC[N@H+]2Cc2cncc(C#N)c2)cc1 ZINC001144079285 1378680668 /nfs/dbraw/zinc/68/06/68/1378680668.db2.gz GUFYYOMJFVTZBC-GOSISDBHSA-N 1 2 325.437 3.252 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](CC(=C)Br)C2 ZINC001148147760 1379125783 /nfs/dbraw/zinc/12/57/83/1379125783.db2.gz ZCNDDSSECAAWNW-CYBMUJFWSA-N 1 2 341.293 3.032 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](CC(=C)Br)C2 ZINC001148147760 1379125785 /nfs/dbraw/zinc/12/57/85/1379125785.db2.gz ZCNDDSSECAAWNW-CYBMUJFWSA-N 1 2 341.293 3.032 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@@H+](Cc1csc(C)n1)C2 ZINC001148371404 1379158508 /nfs/dbraw/zinc/15/85/08/1379158508.db2.gz MUKKRFIDABFWDB-UHFFFAOYSA-N 1 2 333.501 3.088 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@H+](Cc1csc(C)n1)C2 ZINC001148371404 1379158519 /nfs/dbraw/zinc/15/85/19/1379158519.db2.gz MUKKRFIDABFWDB-UHFFFAOYSA-N 1 2 333.501 3.088 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)c2c3ccccc3ncc2C(F)(F)F)CC1 ZINC001152317482 1379905852 /nfs/dbraw/zinc/90/58/52/1379905852.db2.gz NZAJKZRMQXLMKR-UHFFFAOYSA-N 1 2 349.356 3.197 20 30 EGEDLO C=CCC1(C(=O)NCC[NH2+][C@@H](C)c2nc(CCCC)no2)CCCC1 ZINC001153809379 1380133422 /nfs/dbraw/zinc/13/34/22/1380133422.db2.gz LFRPYGHXWVCGAU-HNNXBMFYSA-N 1 2 348.491 3.316 20 30 EGEDLO C=CCC1(C(=O)NCC[NH2+][C@@H](C)c2nnc(CC(C)C)o2)CCCC1 ZINC001153814076 1380134914 /nfs/dbraw/zinc/13/49/14/1380134914.db2.gz PKSLFGQFMBMJHS-HNNXBMFYSA-N 1 2 348.491 3.171 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H](C)[N@H+](CC)CC(=C)Br)cc1 ZINC001154561394 1380305748 /nfs/dbraw/zinc/30/57/48/1380305748.db2.gz ASIYQEUVWIVUMQ-CQSZACIVSA-N 1 2 349.272 3.017 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)Br)cc1 ZINC001154561394 1380305750 /nfs/dbraw/zinc/30/57/50/1380305750.db2.gz ASIYQEUVWIVUMQ-CQSZACIVSA-N 1 2 349.272 3.017 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1nc2c(o1)CCCC2 ZINC001154756574 1380346845 /nfs/dbraw/zinc/34/68/45/1380346845.db2.gz DEAMMQVPOAZQDV-HZPDHXFCSA-N 1 2 347.503 3.482 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc2c(o1)CCCC2 ZINC001154756574 1380346846 /nfs/dbraw/zinc/34/68/46/1380346846.db2.gz DEAMMQVPOAZQDV-HZPDHXFCSA-N 1 2 347.503 3.482 20 30 EGEDLO N#Cc1ccc2cc[nH+]c(N3CCc4nc(C5CC5)ncc4C3)c2c1 ZINC001154901328 1380374728 /nfs/dbraw/zinc/37/47/28/1380374728.db2.gz HLGKWAQVRFQMBK-UHFFFAOYSA-N 1 2 327.391 3.337 20 30 EGEDLO O=C1C=C(Nc2ncnc3c2CC[N@H+](Cc2ccccc2)C3)CCC1 ZINC001155708565 1380485675 /nfs/dbraw/zinc/48/56/75/1380485675.db2.gz OSSFNMHMDATPJY-UHFFFAOYSA-N 1 2 334.423 3.084 20 30 EGEDLO O=C1C=C(Nc2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)CCC1 ZINC001155708565 1380485677 /nfs/dbraw/zinc/48/56/77/1380485677.db2.gz OSSFNMHMDATPJY-UHFFFAOYSA-N 1 2 334.423 3.084 20 30 EGEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCc4c([nH]nc4C(F)(F)F)C3)c12 ZINC001157347401 1380848298 /nfs/dbraw/zinc/84/82/98/1380848298.db2.gz NTYNXDPNYWFDKS-CYBMUJFWSA-N 1 2 332.289 3.295 20 30 EGEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC(=C)Br ZINC001157885495 1381059872 /nfs/dbraw/zinc/05/98/72/1381059872.db2.gz XXYGBQBDHNAKKQ-OAHLLOKOSA-N 1 2 341.293 3.011 20 30 EGEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC(=C)Br ZINC001157885495 1381059875 /nfs/dbraw/zinc/05/98/75/1381059875.db2.gz XXYGBQBDHNAKKQ-OAHLLOKOSA-N 1 2 341.293 3.011 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1coc(C)n1 ZINC001158005527 1381100799 /nfs/dbraw/zinc/10/07/99/1381100799.db2.gz ZSQXIXSAXPFWDH-QGZVFWFLSA-N 1 2 333.476 3.398 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1coc(C)n1 ZINC001158005527 1381100805 /nfs/dbraw/zinc/10/08/05/1381100805.db2.gz ZSQXIXSAXPFWDH-QGZVFWFLSA-N 1 2 333.476 3.398 20 30 EGEDLO N#Cc1ccc(Cl)nc1C(F)(F)NCCc1cn2ccccc2[nH+]1 ZINC001158144437 1381140212 /nfs/dbraw/zinc/14/02/12/1381140212.db2.gz AOPYLSPCOZPJSK-UHFFFAOYSA-N 1 2 347.756 3.136 20 30 EGEDLO N#Cc1cc(Cl)ncc1C(F)(F)NCCc1cn2ccccc2[nH+]1 ZINC001158144664 1381140246 /nfs/dbraw/zinc/14/02/46/1381140246.db2.gz APBCCKTWKLDUIL-UHFFFAOYSA-N 1 2 347.756 3.136 20 30 EGEDLO Cc1ccnc(O[C@@H]2CCCN(c3[nH+]ccc4ccc(C#N)cc43)C2)n1 ZINC001158358350 1381216508 /nfs/dbraw/zinc/21/65/08/1381216508.db2.gz PCTVDZFFSYXDTO-QGZVFWFLSA-N 1 2 345.406 3.253 20 30 EGEDLO N#Cc1ccc2cc[nH+]c(NCC3CCC4(CCC(=O)N4)CC3)c2c1 ZINC001158409045 1381234185 /nfs/dbraw/zinc/23/41/85/1381234185.db2.gz RQDVCUKBCPLMDL-UHFFFAOYSA-N 1 2 334.423 3.357 20 30 EGEDLO Cc1nc(N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)c(Cl)cc1C#N ZINC001158628435 1381330650 /nfs/dbraw/zinc/33/06/50/1381330650.db2.gz KWOXEBVRJFGMHW-CQSZACIVSA-N 1 2 340.805 3.225 20 30 EGEDLO COc1ccc2cc[nH+]c(N3CC(Oc4ccccc4C#N)C3)c2c1 ZINC001158773114 1381392354 /nfs/dbraw/zinc/39/23/54/1381392354.db2.gz UFJVKRPEYUIDTM-UHFFFAOYSA-N 1 2 331.375 3.383 20 30 EGEDLO CCOC(=O)c1cccc(CNc2[nH+]ccc3ccc(C#N)cc32)n1 ZINC001158888864 1381449955 /nfs/dbraw/zinc/44/99/55/1381449955.db2.gz KPIIVEYAGXYALK-UHFFFAOYSA-N 1 2 332.363 3.290 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)CCC2CC2)CC1 ZINC001159646809 1381858796 /nfs/dbraw/zinc/85/87/96/1381858796.db2.gz SEWKJIWBLUDYCZ-UHFFFAOYSA-N 1 2 341.293 3.224 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)CCC2CC2)CC1 ZINC001159646809 1381858801 /nfs/dbraw/zinc/85/88/01/1381858801.db2.gz SEWKJIWBLUDYCZ-UHFFFAOYSA-N 1 2 341.293 3.224 20 30 EGEDLO N#Cc1cnccc1Nc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001160347596 1382079175 /nfs/dbraw/zinc/07/91/75/1382079175.db2.gz FCNFOMKOTAIVAG-INIZCTEOSA-N 1 2 330.338 3.073 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2coc(C)n2)CC1 ZINC001160968405 1382255042 /nfs/dbraw/zinc/25/50/42/1382255042.db2.gz UVQPVCWHXKMRSW-HNNXBMFYSA-N 1 2 331.460 3.224 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2coc(C)n2)CC1 ZINC001160968405 1382255045 /nfs/dbraw/zinc/25/50/45/1382255045.db2.gz UVQPVCWHXKMRSW-HNNXBMFYSA-N 1 2 331.460 3.224 20 30 EGEDLO C=CCCCC(=O)NCCC1=CC[N@H+]([C@H](C)c2nnc(CC)o2)CC1 ZINC001161063267 1382288292 /nfs/dbraw/zinc/28/82/92/1382288292.db2.gz SVIZXVLMOGPDQE-OAHLLOKOSA-N 1 2 346.475 3.188 20 30 EGEDLO C=CCCCC(=O)NCCC1=CC[N@@H+]([C@H](C)c2nnc(CC)o2)CC1 ZINC001161063267 1382288295 /nfs/dbraw/zinc/28/82/95/1382288295.db2.gz SVIZXVLMOGPDQE-OAHLLOKOSA-N 1 2 346.475 3.188 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@@H+]([C@H](C)c2ncccn2)CC1 ZINC001161116237 1382304824 /nfs/dbraw/zinc/30/48/24/1382304824.db2.gz CCSLCFSSEHOKHV-OXQOHEQNSA-N 1 2 342.487 3.278 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@H+]([C@H](C)c2ncccn2)CC1 ZINC001161116237 1382304834 /nfs/dbraw/zinc/30/48/34/1382304834.db2.gz CCSLCFSSEHOKHV-OXQOHEQNSA-N 1 2 342.487 3.278 20 30 EGEDLO C=CCC1(C(=O)NCCC2=CC[N@H+](Cc3ccon3)CC2)CCCC1 ZINC001162012151 1382600564 /nfs/dbraw/zinc/60/05/64/1382600564.db2.gz OOMIUTBERUVQGR-UHFFFAOYSA-N 1 2 343.471 3.450 20 30 EGEDLO C=CCC1(C(=O)NCCC2=CC[N@@H+](Cc3ccon3)CC2)CCCC1 ZINC001162012151 1382600566 /nfs/dbraw/zinc/60/05/66/1382600566.db2.gz OOMIUTBERUVQGR-UHFFFAOYSA-N 1 2 343.471 3.450 20 30 EGEDLO CC1(COc2ccc(CNc3cc(CC#N)cc[nH+]3)cc2F)COC1 ZINC001162388343 1382744914 /nfs/dbraw/zinc/74/49/14/1382744914.db2.gz GTTZRDPIODKNRI-UHFFFAOYSA-N 1 2 341.386 3.314 20 30 EGEDLO CSCCCNc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(C)[nH+]1 ZINC001163874475 1383131644 /nfs/dbraw/zinc/13/16/44/1383131644.db2.gz CKVGWALBDPYNBR-RKPWUKJMSA-N 1 2 327.519 3.436 20 30 EGEDLO CC(C)C(=O)N1CC[C@H]2CN(c3[nH+]ccc4ccc(C#N)cc43)CC[C@@H]21 ZINC001166083959 1383387936 /nfs/dbraw/zinc/38/79/36/1383387936.db2.gz ZJDJUXDLAKXKDO-HKUYNNGSSA-N 1 2 348.450 3.190 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCC1(C[NH2+]Cc2noc(C(C)C)n2)CC1 ZINC001166695598 1383462065 /nfs/dbraw/zinc/46/20/65/1383462065.db2.gz SEURJLTWFKMFPN-CABCVRRESA-N 1 2 348.491 3.027 20 30 EGEDLO C=CCCCC(=O)NCCC1(C[NH2+]Cc2noc(C3CCC3)n2)CC1 ZINC001166909890 1383498034 /nfs/dbraw/zinc/49/80/34/1383498034.db2.gz DODDSTFIGONQFC-UHFFFAOYSA-N 1 2 346.475 3.070 20 30 EGEDLO C[C@]1(c2ccc(F)cc2)CN(c2[nH+]ccc3[nH]cc(C#N)c32)CCO1 ZINC001167141041 1383550684 /nfs/dbraw/zinc/55/06/84/1383550684.db2.gz PXRDUGZPWBXCDE-LJQANCHMSA-N 1 2 336.370 3.326 20 30 EGEDLO N#Cc1ccc(CCNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC001300739966 1383678574 /nfs/dbraw/zinc/67/85/74/1383678574.db2.gz XDECJZWKVSZSSR-IBGZPJMESA-N 1 2 344.418 3.162 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](C#N)C2)C[C@H]1C(F)(F)F ZINC001168562097 1383937580 /nfs/dbraw/zinc/93/75/80/1383937580.db2.gz WTVAESKYZQVPCV-AVGNSLFASA-N 1 2 347.381 3.162 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@@H](C#N)C2)C[C@H]1C(F)(F)F ZINC001168562097 1383937584 /nfs/dbraw/zinc/93/75/84/1383937584.db2.gz WTVAESKYZQVPCV-AVGNSLFASA-N 1 2 347.381 3.162 20 30 EGEDLO C=CC[C@@](C)([NH2+][C@@H]1CCO[C@H](c2ccc(OC)cc2)C1)C(=O)OC ZINC001168631695 1383952734 /nfs/dbraw/zinc/95/27/34/1383952734.db2.gz VVLXAWCTOQBKGV-HHXXYDBFSA-N 1 2 333.428 3.013 20 30 EGEDLO COc1ccc2c(c1)NC(=O)C[C@@H]2CNc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001169910883 1384197376 /nfs/dbraw/zinc/19/73/76/1384197376.db2.gz AMMYJKKCFDAZNH-CYBMUJFWSA-N 1 2 348.406 3.183 20 30 EGEDLO C=C(C)c1ccc(Nc2c3c(nn2C(=O)OCC)C(C)(C)[NH2+]C3)nc1 ZINC001170757086 1384380550 /nfs/dbraw/zinc/38/05/50/1384380550.db2.gz RVYAGRCQGMBSFU-UHFFFAOYSA-N 1 2 341.415 3.398 20 30 EGEDLO COc1cc2nccn2cc1NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001171182387 1384462219 /nfs/dbraw/zinc/46/22/19/1384462219.db2.gz LYQWNGBYTXFIHQ-UHFFFAOYSA-N 1 2 332.363 3.239 20 30 EGEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 ZINC001171211451 1384469829 /nfs/dbraw/zinc/46/98/29/1384469829.db2.gz ZVFZMENKYIJAQN-FHLIZLRMSA-N 1 2 341.455 3.183 20 30 EGEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 ZINC001171211451 1384469832 /nfs/dbraw/zinc/46/98/32/1384469832.db2.gz ZVFZMENKYIJAQN-FHLIZLRMSA-N 1 2 341.455 3.183 20 30 EGEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1Cc2nnc(C(F)(F)F)n2[C@H](C)C1 ZINC001171231366 1384475590 /nfs/dbraw/zinc/47/55/90/1384475590.db2.gz ISJKFRQINQZJGL-NWDGAFQWSA-N 1 2 349.360 3.176 20 30 EGEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1Cc2nnc(C(F)(F)F)n2[C@H](C)C1 ZINC001171231366 1384475593 /nfs/dbraw/zinc/47/55/93/1384475593.db2.gz ISJKFRQINQZJGL-NWDGAFQWSA-N 1 2 349.360 3.176 20 30 EGEDLO CCC(C#N)(CC)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171256832 1384480370 /nfs/dbraw/zinc/48/03/70/1384480370.db2.gz LHCNYJCXWIOFQU-AYHJJNSGSA-N 1 2 325.456 3.494 20 30 EGEDLO C[C@@H](C#N)[N@H+](C)[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172535468 1384809404 /nfs/dbraw/zinc/80/94/04/1384809404.db2.gz JZCLDJDQBHDJOD-WNHJNPCNSA-N 1 2 325.456 3.161 20 30 EGEDLO C[C@@H](C#N)[N@@H+](C)[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172535468 1384809408 /nfs/dbraw/zinc/80/94/08/1384809408.db2.gz JZCLDJDQBHDJOD-WNHJNPCNSA-N 1 2 325.456 3.161 20 30 EGEDLO CCOC(=O)C1([NH2+]C2CCC(C)(C#N)CC2)Cc2ccccc2C1 ZINC001173588532 1384981997 /nfs/dbraw/zinc/98/19/97/1384981997.db2.gz GKSMBNHOBDUYFN-UHFFFAOYSA-N 1 2 326.440 3.149 20 30 EGEDLO CC1(C#N)CCC([N@@H+]2CCN3C[C@@H](Oc4ccccc4)C[C@@H]3C2)CC1 ZINC001173594698 1384983410 /nfs/dbraw/zinc/98/34/10/1384983410.db2.gz JXVMYUSQZGQKIM-OHWJTAOLSA-N 1 2 339.483 3.296 20 30 EGEDLO CC1(C#N)CCC([N@H+]2CCN3C[C@@H](Oc4ccccc4)C[C@@H]3C2)CC1 ZINC001173594698 1384983411 /nfs/dbraw/zinc/98/34/11/1384983411.db2.gz JXVMYUSQZGQKIM-OHWJTAOLSA-N 1 2 339.483 3.296 20 30 EGEDLO C=CCOC(=O)[C@@H]([NH2+][C@@H](C)Cc1ccc(C(=O)OC)cc1)[C@@H](C)CC ZINC001173713649 1385007897 /nfs/dbraw/zinc/00/78/97/1385007897.db2.gz GTMYHXOFDLBBRG-MPGHIAIKSA-N 1 2 347.455 3.138 20 30 EGEDLO N#Cc1cc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)ccc1F ZINC001174431681 1385107683 /nfs/dbraw/zinc/10/76/83/1385107683.db2.gz AEVPSYIXUZIDNQ-UHFFFAOYSA-N 1 2 341.386 3.152 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cc(Cl)cn2C)C1 ZINC001317762590 1385452149 /nfs/dbraw/zinc/45/21/49/1385452149.db2.gz YAFIZWZXADPZBR-AWEZNQCLSA-N 1 2 344.286 3.358 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cc(Cl)cn2C)C1 ZINC001317762590 1385452151 /nfs/dbraw/zinc/45/21/51/1385452151.db2.gz YAFIZWZXADPZBR-AWEZNQCLSA-N 1 2 344.286 3.358 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCCC3CCCC3)C[C@H]21 ZINC001177158240 1385838116 /nfs/dbraw/zinc/83/81/16/1385838116.db2.gz WNMYXGGBYNFPEJ-MOPGFXCFSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCCC3CCCC3)C[C@H]21 ZINC001177158240 1385838123 /nfs/dbraw/zinc/83/81/23/1385838123.db2.gz WNMYXGGBYNFPEJ-MOPGFXCFSA-N 1 2 334.504 3.225 20 30 EGEDLO CC(C)c1occc1C(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001320091600 1386506075 /nfs/dbraw/zinc/50/60/75/1386506075.db2.gz XJLWXEXNTRECQK-UHFFFAOYSA-N 1 2 339.439 3.479 20 30 EGEDLO CC(C)c1occc1C(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC001320091600 1386506077 /nfs/dbraw/zinc/50/60/77/1386506077.db2.gz XJLWXEXNTRECQK-UHFFFAOYSA-N 1 2 339.439 3.479 20 30 EGEDLO N#Cc1ccccc1N1CCC(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC001180504140 1386817607 /nfs/dbraw/zinc/81/76/07/1386817607.db2.gz AWCZOVWIKZSGMI-UHFFFAOYSA-N 1 2 345.406 3.061 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCOc1ccc(C)c(C)c1 ZINC001322169535 1387086193 /nfs/dbraw/zinc/08/61/93/1387086193.db2.gz QBGUDICAXYDMOO-MRXNPFEDSA-N 1 2 338.879 3.261 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCOc1ccc(C)c(C)c1 ZINC001322169535 1387086195 /nfs/dbraw/zinc/08/61/95/1387086195.db2.gz QBGUDICAXYDMOO-MRXNPFEDSA-N 1 2 338.879 3.261 20 30 EGEDLO N#Cc1cccc2[nH]cc(CC(=O)Nc3ccc(-n4cc[nH+]c4)cc3)c21 ZINC001182576707 1387189858 /nfs/dbraw/zinc/18/98/58/1387189858.db2.gz CFTAPZCWHZWNFA-UHFFFAOYSA-N 1 2 341.374 3.406 20 30 EGEDLO C#CC(C)(C)C(=O)NC[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001182639153 1387199552 /nfs/dbraw/zinc/19/95/52/1387199552.db2.gz ZIXYYDHGUHXYBS-AWEZNQCLSA-N 1 2 327.255 3.372 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([NH2+]Cc2ncc(C(C)C)o2)C1 ZINC001182841400 1387233744 /nfs/dbraw/zinc/23/37/44/1387233744.db2.gz KLEXROMSMRTZCH-MRXNPFEDSA-N 1 2 331.460 3.257 20 30 EGEDLO CCCCCCCC(=O)Nc1ccc(C(N)=O)cc1-n1cc[nH+]c1 ZINC001337783893 1389442631 /nfs/dbraw/zinc/44/26/31/1389442631.db2.gz DXRDJOOYFXBCJZ-UHFFFAOYSA-N 1 2 328.416 3.270 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H](C2CCC2)C1 ZINC001338895674 1389809602 /nfs/dbraw/zinc/80/96/02/1389809602.db2.gz KVIXJFLTXNRFLK-SJORKVTESA-N 1 2 329.492 3.247 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H](C2CCC2)C1 ZINC001338895674 1389809608 /nfs/dbraw/zinc/80/96/08/1389809608.db2.gz KVIXJFLTXNRFLK-SJORKVTESA-N 1 2 329.492 3.247 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCCC(F)(F)F)[C@@H]1C ZINC001332206171 1390043180 /nfs/dbraw/zinc/04/31/80/1390043180.db2.gz NKLTYABSQNFJQI-NWDGAFQWSA-N 1 2 326.790 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCCC(F)(F)F)[C@@H]1C ZINC001332206171 1390043184 /nfs/dbraw/zinc/04/31/84/1390043184.db2.gz NKLTYABSQNFJQI-NWDGAFQWSA-N 1 2 326.790 3.441 20 30 EGEDLO C=CCn1c(Nc2cnn(C3CCC3)c2)nnc1[C@@H]1CCCC[N@H+]1C ZINC001340263129 1390260433 /nfs/dbraw/zinc/26/04/33/1390260433.db2.gz BCQHIHAULZIIHX-INIZCTEOSA-N 1 2 341.463 3.286 20 30 EGEDLO C=CCn1c(Nc2cnn(C3CCC3)c2)nnc1[C@@H]1CCCC[N@@H+]1C ZINC001340263129 1390260436 /nfs/dbraw/zinc/26/04/36/1390260436.db2.gz BCQHIHAULZIIHX-INIZCTEOSA-N 1 2 341.463 3.286 20 30 EGEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(CC)C[C@@H](C)CC ZINC001342022031 1390562748 /nfs/dbraw/zinc/56/27/48/1390562748.db2.gz XDUJEIXGBFUHLL-DLBZAZTESA-N 1 2 349.523 3.118 20 30 EGEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(CC)C[C@@H](C)CC ZINC001342022031 1390562750 /nfs/dbraw/zinc/56/27/50/1390562750.db2.gz XDUJEIXGBFUHLL-DLBZAZTESA-N 1 2 349.523 3.118 20 30 EGEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H](C(C)C)CC1 ZINC001342415905 1390610718 /nfs/dbraw/zinc/61/07/18/1390610718.db2.gz NJSHOCHXZABOEW-MRXNPFEDSA-N 1 2 342.491 3.051 20 30 EGEDLO C[C@@H](CC(=O)[C@H](C#N)c1nc2c(cccc2Cl)[nH]1)n1cc[nH+]c1 ZINC001347392715 1391067891 /nfs/dbraw/zinc/06/78/91/1391067891.db2.gz XXIKHYIBDQDQIV-QWRGUYRKSA-N 1 2 327.775 3.240 20 30 EGEDLO C=C(C)CCC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC001353565902 1392040670 /nfs/dbraw/zinc/04/06/70/1392040670.db2.gz VRNFCBODDLRBED-SFHVURJKSA-N 1 2 330.472 3.092 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC2(c3ccccc3)CC2)C1 ZINC001479905274 1392472806 /nfs/dbraw/zinc/47/28/06/1392472806.db2.gz ZBABJSMEKADLCW-QGZVFWFLSA-N 1 2 332.875 3.441 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC2(c3ccccc3)CC2)C1 ZINC001479905274 1392472807 /nfs/dbraw/zinc/47/28/07/1392472807.db2.gz ZBABJSMEKADLCW-QGZVFWFLSA-N 1 2 332.875 3.441 20 30 EGEDLO CCCC1(C(=O)N[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)CC1 ZINC001479963780 1392498830 /nfs/dbraw/zinc/49/88/30/1392498830.db2.gz WIHIADNFRPPHKD-SFHVURJKSA-N 1 2 344.886 3.462 20 30 EGEDLO CCCC1(C(=O)N[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)CC1 ZINC001479963780 1392498831 /nfs/dbraw/zinc/49/88/31/1392498831.db2.gz WIHIADNFRPPHKD-SFHVURJKSA-N 1 2 344.886 3.462 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCc2cc(Cl)cs2)C1 ZINC001479964489 1392499792 /nfs/dbraw/zinc/49/97/92/1392499792.db2.gz MNAXYROJPLFDRG-GFCCVEGCSA-N 1 2 333.284 3.277 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCc2cc(Cl)cs2)C1 ZINC001479964489 1392499794 /nfs/dbraw/zinc/49/97/94/1392499794.db2.gz MNAXYROJPLFDRG-GFCCVEGCSA-N 1 2 333.284 3.277 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](c2ccc(F)cc2)C(C)C)C1 ZINC001481662118 1394437423 /nfs/dbraw/zinc/43/74/23/1394437423.db2.gz PGCHUMOGRFHOIO-KRWDZBQOSA-N 1 2 338.854 3.366 20 30 EGEDLO CCCC1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)CCC1 ZINC001481675783 1394442613 /nfs/dbraw/zinc/44/26/13/1394442613.db2.gz CBBUDCHCHOXUAR-OALUTQOASA-N 1 2 337.467 3.314 20 30 EGEDLO CCCC1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)CCC1 ZINC001481675783 1394442614 /nfs/dbraw/zinc/44/26/14/1394442614.db2.gz CBBUDCHCHOXUAR-OALUTQOASA-N 1 2 337.467 3.314 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2c[nH]c3cccc(C)c23)C1 ZINC001485531774 1396002170 /nfs/dbraw/zinc/00/21/70/1396002170.db2.gz BQHDGXOMGNZURY-CQSZACIVSA-N 1 2 345.874 3.208 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2c[nH]c3cccc(C)c23)C1 ZINC001485531772 1396002563 /nfs/dbraw/zinc/00/25/63/1396002563.db2.gz BQHDGXOMGNZURY-AWEZNQCLSA-N 1 2 345.874 3.208 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001698998172 1406799968 /nfs/dbraw/zinc/79/99/68/1406799968.db2.gz NMBNPIHWWIDUFO-ZWKOTPCHSA-N 1 2 343.446 3.024 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001698998172 1406799969 /nfs/dbraw/zinc/79/99/69/1406799969.db2.gz NMBNPIHWWIDUFO-ZWKOTPCHSA-N 1 2 343.446 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1coc(CC2CC2)n1 ZINC001687783709 1396491518 /nfs/dbraw/zinc/49/15/18/1396491518.db2.gz NTOXLBPZNFQAMS-CABCVRRESA-N 1 2 349.862 3.059 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1coc(CC2CC2)n1 ZINC001687783709 1396491519 /nfs/dbraw/zinc/49/15/19/1396491519.db2.gz NTOXLBPZNFQAMS-CABCVRRESA-N 1 2 349.862 3.059 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1coc(C2CCC2)n1 ZINC001687783700 1396491571 /nfs/dbraw/zinc/49/15/71/1396491571.db2.gz MKLSSKWYVRTDKH-CABCVRRESA-N 1 2 349.862 3.374 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1coc(C2CCC2)n1 ZINC001687783700 1396491573 /nfs/dbraw/zinc/49/15/73/1396491573.db2.gz MKLSSKWYVRTDKH-CABCVRRESA-N 1 2 349.862 3.374 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)COc1ccc(C(C)C)cc1 ZINC001498329643 1396967112 /nfs/dbraw/zinc/96/71/12/1396967112.db2.gz DPTULSLJZHITEV-HNNXBMFYSA-N 1 2 338.879 3.378 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)COc1ccc(C(C)C)cc1 ZINC001498329643 1396967116 /nfs/dbraw/zinc/96/71/16/1396967116.db2.gz DPTULSLJZHITEV-HNNXBMFYSA-N 1 2 338.879 3.378 20 30 EGEDLO C[N@H+](CCNC(=O)[C@@H]1CCCCC1(C)C)Cc1ccc(C#N)cc1F ZINC001691000555 1404917253 /nfs/dbraw/zinc/91/72/53/1404917253.db2.gz KXFKMKIJILSYGS-KRWDZBQOSA-N 1 2 345.462 3.462 20 30 EGEDLO C[N@@H+](CCNC(=O)[C@@H]1CCCCC1(C)C)Cc1ccc(C#N)cc1F ZINC001691000555 1404917257 /nfs/dbraw/zinc/91/72/57/1404917257.db2.gz KXFKMKIJILSYGS-KRWDZBQOSA-N 1 2 345.462 3.462 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc2cc(F)ccc2[nH]1)C1CC1 ZINC001691219907 1405161462 /nfs/dbraw/zinc/16/14/62/1405161462.db2.gz XMLOYIGEWNHZIT-UHFFFAOYSA-N 1 2 335.810 3.254 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc2cc(F)ccc2[nH]1)C1CC1 ZINC001691219907 1405161465 /nfs/dbraw/zinc/16/14/65/1405161465.db2.gz XMLOYIGEWNHZIT-UHFFFAOYSA-N 1 2 335.810 3.254 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F)C(=O)C1(C)CCCC1 ZINC001691650130 1405382916 /nfs/dbraw/zinc/38/29/16/1405382916.db2.gz WYSIXVNMVNYELQ-QGZVFWFLSA-N 1 2 343.446 3.310 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1F)C(=O)C1(C)CCCC1 ZINC001691650130 1405382921 /nfs/dbraw/zinc/38/29/21/1405382921.db2.gz WYSIXVNMVNYELQ-QGZVFWFLSA-N 1 2 343.446 3.310 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)Cc2ccc(F)cc2F)C1 ZINC001698580485 1406192124 /nfs/dbraw/zinc/19/21/24/1406192124.db2.gz GPEJSQDYQRGVLU-HNNXBMFYSA-N 1 2 342.817 3.183 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)Cc2ccc(F)cc2F)C1 ZINC001698580485 1406192128 /nfs/dbraw/zinc/19/21/28/1406192128.db2.gz GPEJSQDYQRGVLU-HNNXBMFYSA-N 1 2 342.817 3.183 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@]2(c3ccccc3)CC2(C)C)C1 ZINC001732136329 1428382040 /nfs/dbraw/zinc/38/20/40/1428382040.db2.gz SCYSNELASUFOLN-LJQANCHMSA-N 1 2 332.875 3.155 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CCCc2csc(C)n2)C1 ZINC001732159074 1428402722 /nfs/dbraw/zinc/40/27/22/1428402722.db2.gz HZKZARMBHXTPRP-OAHLLOKOSA-N 1 2 341.908 3.059 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CCCc2csc(C)n2)C1 ZINC001732159074 1428402723 /nfs/dbraw/zinc/40/27/23/1428402723.db2.gz HZKZARMBHXTPRP-OAHLLOKOSA-N 1 2 341.908 3.059 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1sc(CCC)nc1C ZINC001699470927 1412849043 /nfs/dbraw/zinc/84/90/43/1412849043.db2.gz ZOBUAKNLNLJDBU-NSHDSACASA-N 1 2 329.897 3.207 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1sc(CCC)nc1C ZINC001699470927 1412849050 /nfs/dbraw/zinc/84/90/50/1412849050.db2.gz ZOBUAKNLNLJDBU-NSHDSACASA-N 1 2 329.897 3.207 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)C1C(C)(C)C1(C)C ZINC001700183642 1413600482 /nfs/dbraw/zinc/60/04/82/1413600482.db2.gz MMBADXODFSKEII-UHFFFAOYSA-N 1 2 345.325 3.358 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)C1C(C)(C)C1(C)C ZINC001700183642 1413600486 /nfs/dbraw/zinc/60/04/86/1413600486.db2.gz MMBADXODFSKEII-UHFFFAOYSA-N 1 2 345.325 3.358 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C1(Cc2ccccc2F)CC1 ZINC001700495111 1414142472 /nfs/dbraw/zinc/14/24/72/1414142472.db2.gz QVSRCKDGJRMKEV-AWEZNQCLSA-N 1 2 338.854 3.337 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C1(Cc2ccccc2F)CC1 ZINC001700495111 1414142474 /nfs/dbraw/zinc/14/24/74/1414142474.db2.gz QVSRCKDGJRMKEV-AWEZNQCLSA-N 1 2 338.854 3.337 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1c[nH]c2ccccc21 ZINC001732585896 1428798118 /nfs/dbraw/zinc/79/81/18/1428798118.db2.gz HRLXAZZRGCJGON-UHFFFAOYSA-N 1 2 346.434 3.244 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1c[nH]c2ccccc21 ZINC001732585896 1428798122 /nfs/dbraw/zinc/79/81/22/1428798122.db2.gz HRLXAZZRGCJGON-UHFFFAOYSA-N 1 2 346.434 3.244 20 30 EGEDLO C[N@H+](CCNC(=O)c1cccc(Cl)c1)Cc1ccc(C#N)cc1F ZINC001713474280 1418151418 /nfs/dbraw/zinc/15/14/18/1418151418.db2.gz PPZKGAPLMOPKNV-UHFFFAOYSA-N 1 2 345.805 3.213 20 30 EGEDLO C[N@@H+](CCNC(=O)c1cccc(Cl)c1)Cc1ccc(C#N)cc1F ZINC001713474280 1418151425 /nfs/dbraw/zinc/15/14/25/1418151425.db2.gz PPZKGAPLMOPKNV-UHFFFAOYSA-N 1 2 345.805 3.213 20 30 EGEDLO CCC[C@@H](C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001713788222 1418605414 /nfs/dbraw/zinc/60/54/14/1418605414.db2.gz QKMJKGNTKXRLTJ-APWZRJJASA-N 1 2 327.472 3.465 20 30 EGEDLO CCC[C@@H](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001713788222 1418605416 /nfs/dbraw/zinc/60/54/16/1418605416.db2.gz QKMJKGNTKXRLTJ-APWZRJJASA-N 1 2 327.472 3.465 20 30 EGEDLO CC(C)CC1(C(=O)NCC[N@H+](C)Cc2cc(C#N)ccc2F)CCC1 ZINC001714554082 1419281820 /nfs/dbraw/zinc/28/18/20/1419281820.db2.gz WARAWLSVOVTTGN-UHFFFAOYSA-N 1 2 345.462 3.462 20 30 EGEDLO CC(C)CC1(C(=O)NCC[N@@H+](C)Cc2cc(C#N)ccc2F)CCC1 ZINC001714554082 1419281823 /nfs/dbraw/zinc/28/18/23/1419281823.db2.gz WARAWLSVOVTTGN-UHFFFAOYSA-N 1 2 345.462 3.462 20 30 EGEDLO C[C@@H](C#N)C(=O)NCC[N@H+](Cc1cccc(Cl)c1Cl)C1CC1 ZINC001714662397 1419448103 /nfs/dbraw/zinc/44/81/03/1419448103.db2.gz YPOCUZSYVKNZPW-NSHDSACASA-N 1 2 340.254 3.234 20 30 EGEDLO C[C@@H](C#N)C(=O)NCC[N@@H+](Cc1cccc(Cl)c1Cl)C1CC1 ZINC001714662397 1419448105 /nfs/dbraw/zinc/44/81/05/1419448105.db2.gz YPOCUZSYVKNZPW-NSHDSACASA-N 1 2 340.254 3.234 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](CC)Oc1ccccc1C ZINC001715534314 1420227105 /nfs/dbraw/zinc/22/71/05/1420227105.db2.gz TTXAOMAOBKZVLV-INIZCTEOSA-N 1 2 338.879 3.295 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](CC)Oc1ccccc1C ZINC001715534314 1420227108 /nfs/dbraw/zinc/22/71/08/1420227108.db2.gz TTXAOMAOBKZVLV-INIZCTEOSA-N 1 2 338.879 3.295 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2c(F)cccc2Cl)C1 ZINC001717559585 1421495628 /nfs/dbraw/zinc/49/56/28/1421495628.db2.gz IENOEFKMVFYFRT-NSHDSACASA-N 1 2 345.245 3.211 20 30 EGEDLO CCC(C)(CC)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001723484723 1424436690 /nfs/dbraw/zinc/43/66/90/1424436690.db2.gz ZUSYQGJREQADMC-KRWDZBQOSA-N 1 2 343.471 3.084 20 30 EGEDLO CCC(C)(CC)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001723484723 1424436693 /nfs/dbraw/zinc/43/66/93/1424436693.db2.gz ZUSYQGJREQADMC-KRWDZBQOSA-N 1 2 343.471 3.084 20 30 EGEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)c1ccc(C)cc1 ZINC001731870697 1428126109 /nfs/dbraw/zinc/12/61/09/1428126109.db2.gz LLOUQGBJUQTYTL-UHFFFAOYSA-N 1 2 339.277 3.345 20 30 EGEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1ccc(C)cc1 ZINC001731870697 1428126112 /nfs/dbraw/zinc/12/61/12/1428126112.db2.gz LLOUQGBJUQTYTL-UHFFFAOYSA-N 1 2 339.277 3.345 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nc(C)oc1C ZINC001752822770 1440221623 /nfs/dbraw/zinc/22/16/23/1440221623.db2.gz ODBJZMZMRKCXTE-QFBILLFUSA-N 1 2 333.476 3.364 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1nc(C)oc1C ZINC001752822770 1440221624 /nfs/dbraw/zinc/22/16/24/1440221624.db2.gz ODBJZMZMRKCXTE-QFBILLFUSA-N 1 2 333.476 3.364 20 30 EGEDLO Cc1ccc(F)c(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)c1F ZINC001753062762 1440284087 /nfs/dbraw/zinc/28/40/87/1440284087.db2.gz VLIPMIPYVJFGDI-UHFFFAOYSA-N 1 2 343.377 3.007 20 30 EGEDLO Cc1ccc(F)c(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)c1F ZINC001753062762 1440284088 /nfs/dbraw/zinc/28/40/88/1440284088.db2.gz VLIPMIPYVJFGDI-UHFFFAOYSA-N 1 2 343.377 3.007 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc(C)c2ccccc2n1)C1CC1 ZINC001753155091 1440330319 /nfs/dbraw/zinc/33/03/19/1440330319.db2.gz AOWUANBGWHLUCN-UHFFFAOYSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc(C)c2ccccc2n1)C1CC1 ZINC001753155091 1440330320 /nfs/dbraw/zinc/33/03/20/1440330320.db2.gz AOWUANBGWHLUCN-UHFFFAOYSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2n[nH]c3ccccc32)C1 ZINC001753323498 1440365164 /nfs/dbraw/zinc/36/51/64/1440365164.db2.gz NXOBWNIEZBUCDZ-AWEZNQCLSA-N 1 2 346.862 3.242 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2n[nH]c3ccccc32)C1 ZINC001753323498 1440365165 /nfs/dbraw/zinc/36/51/65/1440365165.db2.gz NXOBWNIEZBUCDZ-AWEZNQCLSA-N 1 2 346.862 3.242 20 30 EGEDLO C=CCCC(=O)NCC1C[NH+](Cc2ncc(-c3ccccc3)s2)C1 ZINC001753397608 1440390578 /nfs/dbraw/zinc/39/05/78/1440390578.db2.gz PPXCXFJPTVEEAQ-UHFFFAOYSA-N 1 2 341.480 3.324 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2(c3ccccc3C)CCC2)C1 ZINC001753414174 1440393901 /nfs/dbraw/zinc/39/39/01/1440393901.db2.gz BUWNPEOQIAVLMT-UHFFFAOYSA-N 1 2 332.875 3.217 20 30 EGEDLO C=CCCC(=O)N(C)[C@@H]1CC[N@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC001753434479 1440399451 /nfs/dbraw/zinc/39/94/51/1440399451.db2.gz WMWVAJMEYHZMOJ-CQSZACIVSA-N 1 2 335.517 3.440 20 30 EGEDLO C=CCCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC001753434479 1440399452 /nfs/dbraw/zinc/39/94/52/1440399452.db2.gz WMWVAJMEYHZMOJ-CQSZACIVSA-N 1 2 335.517 3.440 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1C[N@H+](C/C=C\c2ccccc2)CCO1 ZINC001753651619 1440456350 /nfs/dbraw/zinc/45/63/50/1440456350.db2.gz QODLYVVCLQNAKI-POGDKVGISA-N 1 2 342.483 3.119 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1C[N@@H+](C/C=C\c2ccccc2)CCO1 ZINC001753651619 1440456351 /nfs/dbraw/zinc/45/63/51/1440456351.db2.gz QODLYVVCLQNAKI-POGDKVGISA-N 1 2 342.483 3.119 20 30 EGEDLO C=CC(C)(C)CC(=O)N(C)CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1 ZINC001753854126 1440508215 /nfs/dbraw/zinc/50/82/15/1440508215.db2.gz XYELSLORTPPPSW-MRXNPFEDSA-N 1 2 345.487 3.006 20 30 EGEDLO C=CC(C)(C)CC(=O)N(C)CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1 ZINC001753854126 1440508216 /nfs/dbraw/zinc/50/82/16/1440508216.db2.gz XYELSLORTPPPSW-MRXNPFEDSA-N 1 2 345.487 3.006 20 30 EGEDLO C[C@@H](C(=O)N(C)CC[N@H+](C)Cc1cc(F)ccc1C#N)C1CCCC1 ZINC001753874413 1440518744 /nfs/dbraw/zinc/51/87/44/1440518744.db2.gz CMHOPUMOEWNKFN-OAHLLOKOSA-N 1 2 345.462 3.414 20 30 EGEDLO C[C@@H](C(=O)N(C)CC[N@@H+](C)Cc1cc(F)ccc1C#N)C1CCCC1 ZINC001753874413 1440518745 /nfs/dbraw/zinc/51/87/45/1440518745.db2.gz CMHOPUMOEWNKFN-OAHLLOKOSA-N 1 2 345.462 3.414 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cnc(C)s1 ZINC001754552861 1440630419 /nfs/dbraw/zinc/63/04/19/1440630419.db2.gz NSDKFGDBSOLWQY-IYBDPMFKSA-N 1 2 333.501 3.373 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cnc(C)s1 ZINC001754552861 1440630420 /nfs/dbraw/zinc/63/04/20/1440630420.db2.gz NSDKFGDBSOLWQY-IYBDPMFKSA-N 1 2 333.501 3.373 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3cnns3)[C@H](C)C2)CCCC1 ZINC001755165698 1440767020 /nfs/dbraw/zinc/76/70/20/1440767020.db2.gz QFOSFZMGLOEZRU-CABCVRRESA-N 1 2 348.516 3.144 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3cnns3)[C@H](C)C2)CCCC1 ZINC001755165698 1440767021 /nfs/dbraw/zinc/76/70/21/1440767021.db2.gz QFOSFZMGLOEZRU-CABCVRRESA-N 1 2 348.516 3.144 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1nccs1 ZINC001755186322 1440773359 /nfs/dbraw/zinc/77/33/59/1440773359.db2.gz OFPSOXWEGOKDGB-VQIMIIECSA-N 1 2 341.480 3.371 20 30 EGEDLO CCc1cnc(C[N@@H+]2CCCCC[C@H]2CNC(=O)C#CC(C)(C)C)o1 ZINC001755364846 1440833867 /nfs/dbraw/zinc/83/38/67/1440833867.db2.gz ZPQGWDGTDULOBZ-INIZCTEOSA-N 1 2 345.487 3.147 20 30 EGEDLO CCc1cnc(C[N@H+]2CCCCC[C@H]2CNC(=O)C#CC(C)(C)C)o1 ZINC001755364846 1440833868 /nfs/dbraw/zinc/83/38/68/1440833868.db2.gz ZPQGWDGTDULOBZ-INIZCTEOSA-N 1 2 345.487 3.147 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H](F)CC2CCCCC2)C1 ZINC001755389134 1440841532 /nfs/dbraw/zinc/84/15/32/1440841532.db2.gz PSEPPEVEFVJYBM-XJKSGUPXSA-N 1 2 330.875 3.484 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccncc2Cl)CC1(C)C ZINC001755413805 1440847654 /nfs/dbraw/zinc/84/76/54/1440847654.db2.gz JRQXHFGMGKLNLI-MRXNPFEDSA-N 1 2 335.879 3.418 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccncc2Cl)CC1(C)C ZINC001755413805 1440847655 /nfs/dbraw/zinc/84/76/55/1440847655.db2.gz JRQXHFGMGKLNLI-MRXNPFEDSA-N 1 2 335.879 3.418 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1[N@H+](Cc1ncc(C)cn1)CC2 ZINC001755701197 1440900338 /nfs/dbraw/zinc/90/03/38/1440900338.db2.gz JCRIHLMBQKOCAZ-UZLBHIALSA-N 1 2 342.487 3.001 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1ncc(C)cn1)CC2 ZINC001755701197 1440900339 /nfs/dbraw/zinc/90/03/39/1440900339.db2.gz JCRIHLMBQKOCAZ-UZLBHIALSA-N 1 2 342.487 3.001 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2cncc(F)c2)[C@@H]1C ZINC001755721019 1440907280 /nfs/dbraw/zinc/90/72/80/1440907280.db2.gz JEFJBDUNLRGECF-PBHICJAKSA-N 1 2 333.451 3.292 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cncc(F)c2)[C@@H]1C ZINC001755721019 1440907281 /nfs/dbraw/zinc/90/72/81/1440907281.db2.gz JEFJBDUNLRGECF-PBHICJAKSA-N 1 2 333.451 3.292 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)[C@@H]1CCO[C@H](CC)C1)C(C)C ZINC001755817712 1440924691 /nfs/dbraw/zinc/92/46/91/1440924691.db2.gz WBGITPBKXFKVMY-HZPDHXFCSA-N 1 2 330.900 3.113 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)[C@@H]1CCO[C@H](CC)C1)C(C)C ZINC001755817712 1440924692 /nfs/dbraw/zinc/92/46/92/1440924692.db2.gz WBGITPBKXFKVMY-HZPDHXFCSA-N 1 2 330.900 3.113 20 30 EGEDLO C=CCC[NH2+]C[C@H](NC(=O)Cc1ccc2cccnc2c1)C(C)(C)C ZINC001755826709 1440927454 /nfs/dbraw/zinc/92/74/54/1440927454.db2.gz WWAWCFDWBPDJFM-IBGZPJMESA-N 1 2 339.483 3.474 20 30 EGEDLO C=C(C)C[NH2+]C[C@@H](NC(=O)Cc1cccc2cnccc21)C(C)(C)C ZINC001755826484 1440927532 /nfs/dbraw/zinc/92/75/32/1440927532.db2.gz RCLLPJOTAWYESC-LJQANCHMSA-N 1 2 339.483 3.474 20 30 EGEDLO C#CCCCC(=O)NCC1=CC[N@H+](Cc2cc(O)ccc2Cl)CC1 ZINC001755885715 1440940297 /nfs/dbraw/zinc/94/02/97/1440940297.db2.gz ZXOFJZXDZNEVEF-UHFFFAOYSA-N 1 2 346.858 3.097 20 30 EGEDLO C#CCCCC(=O)NCC1=CC[N@@H+](Cc2cc(O)ccc2Cl)CC1 ZINC001755885715 1440940298 /nfs/dbraw/zinc/94/02/98/1440940298.db2.gz ZXOFJZXDZNEVEF-UHFFFAOYSA-N 1 2 346.858 3.097 20 30 EGEDLO C[C@H](c1nccs1)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000187724456 236284690 /nfs/dbraw/zinc/28/46/90/236284690.db2.gz FDFXVOBSEOZZIP-LSDHHAIUSA-N 1 2 326.469 3.455 20 30 EGEDLO C[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191320871 239038027 /nfs/dbraw/zinc/03/80/27/239038027.db2.gz HDPJGFDDHPLDAG-CQSZACIVSA-N 1 2 344.409 3.054 20 30 EGEDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000191320871 239038031 /nfs/dbraw/zinc/03/80/31/239038031.db2.gz HDPJGFDDHPLDAG-CQSZACIVSA-N 1 2 344.409 3.054 20 30 EGEDLO COc1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c(OC)c1 ZINC000377251660 169003236 /nfs/dbraw/zinc/00/32/36/169003236.db2.gz QRNINRAKAYIZOG-FQEVSTJZSA-N 1 2 338.407 3.149 20 30 EGEDLO COc1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c(OC)c1 ZINC000377251660 169003238 /nfs/dbraw/zinc/00/32/38/169003238.db2.gz QRNINRAKAYIZOG-FQEVSTJZSA-N 1 2 338.407 3.149 20 30 EGEDLO C[C@@H](c1cccc(NC(=O)c2cc(C#N)cs2)c1)[NH+]1CCOCC1 ZINC000267807439 251366646 /nfs/dbraw/zinc/36/66/46/251366646.db2.gz MHNINMQMNWVBML-ZDUSSCGKSA-N 1 2 341.436 3.265 20 30 EGEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCO[C@@H](c3ccccc3Cl)C2)cc1 ZINC000268621431 252075352 /nfs/dbraw/zinc/07/53/52/252075352.db2.gz AGHMAYMRULDKNJ-RTBURBONSA-N 1 2 342.826 3.319 20 30 EGEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCO[C@@H](c3ccccc3Cl)C2)cc1 ZINC000268621431 252075356 /nfs/dbraw/zinc/07/53/56/252075356.db2.gz AGHMAYMRULDKNJ-RTBURBONSA-N 1 2 342.826 3.319 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)c(F)c1 ZINC000268705643 252156769 /nfs/dbraw/zinc/15/67/69/252156769.db2.gz SFVOBYKHHLZRDI-QUCCMNQESA-N 1 2 340.398 3.022 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)c(F)c1 ZINC000268705643 252156774 /nfs/dbraw/zinc/15/67/74/252156774.db2.gz SFVOBYKHHLZRDI-QUCCMNQESA-N 1 2 340.398 3.022 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000348061084 141236886 /nfs/dbraw/zinc/23/68/86/141236886.db2.gz IBXGKYOMEAECQT-CQSZACIVSA-N 1 2 329.791 3.218 20 30 EGEDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000341090524 155152647 /nfs/dbraw/zinc/15/26/47/155152647.db2.gz BKOBMTOOFSQYCI-BDJLRTHQSA-N 1 2 345.349 3.037 20 30 EGEDLO N#Cc1csc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000341244349 155217219 /nfs/dbraw/zinc/21/72/19/155217219.db2.gz UXAWACQERFHWGP-UHFFFAOYSA-N 1 2 328.441 3.149 20 30 EGEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccccc2OC2CCCC2)C(N)=O)cc1 ZINC000115597555 152021996 /nfs/dbraw/zinc/02/19/96/152021996.db2.gz QAMTZLOWTODQPH-FQEVSTJZSA-N 1 2 349.434 3.196 20 30 EGEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162727887 152788181 /nfs/dbraw/zinc/78/81/81/152788181.db2.gz GRSOUBZRJBHPLP-CYBMUJFWSA-N 1 2 332.363 3.354 20 30 EGEDLO N#Cc1ccc(C[N@H+](CCO)Cc2ccccc2)c(Br)c1 ZINC000305814153 154131276 /nfs/dbraw/zinc/13/12/76/154131276.db2.gz NQBVWDFBRFDRSG-UHFFFAOYSA-N 1 2 345.240 3.315 20 30 EGEDLO N#Cc1ccc(C[N@@H+](CCO)Cc2ccccc2)c(Br)c1 ZINC000305814153 154131281 /nfs/dbraw/zinc/13/12/81/154131281.db2.gz NQBVWDFBRFDRSG-UHFFFAOYSA-N 1 2 345.240 3.315 20 30 EGEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)Cc1ccccc1C#N ZINC000111056267 162144217 /nfs/dbraw/zinc/14/42/17/162144217.db2.gz ONXNMQBTGVPFQP-LJQANCHMSA-N 1 2 349.478 3.281 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccs3)CC2)c(F)c1 ZINC000112351574 162172453 /nfs/dbraw/zinc/17/24/53/162172453.db2.gz IYJBRVSPUMHRHK-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccs3)CC2)c(F)c1 ZINC000112351574 162172456 /nfs/dbraw/zinc/17/24/56/162172456.db2.gz IYJBRVSPUMHRHK-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO N#Cc1cccc(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)c1 ZINC000352144565 165256569 /nfs/dbraw/zinc/25/65/69/165256569.db2.gz AAGXNLUGOOHVBR-UHFFFAOYSA-N 1 2 336.782 3.327 20 30 EGEDLO N#Cc1ccccc1C[NH2+][C@H](CO)c1ccccc1OC(F)(F)F ZINC000355577841 166248838 /nfs/dbraw/zinc/24/88/38/166248838.db2.gz BVVNTYPBLINLCC-OAHLLOKOSA-N 1 2 336.313 3.280 20 30 EGEDLO N#Cc1ccc(NC2CC2)c(NC(=O)C2CC[NH+](CC(F)F)CC2)c1 ZINC000355652602 166273377 /nfs/dbraw/zinc/27/33/77/166273377.db2.gz MKJVESGOWXFZKJ-UHFFFAOYSA-N 1 2 348.397 3.048 20 30 EGEDLO CC1CCC(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000359871527 167254393 /nfs/dbraw/zinc/25/43/93/167254393.db2.gz HWEFEKWFANMXQQ-UHFFFAOYSA-N 1 2 339.483 3.419 20 30 EGEDLO Cn1cc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)cc1C#N ZINC000365143687 168028195 /nfs/dbraw/zinc/02/81/95/168028195.db2.gz WMVZIMUFYSZLBI-UHFFFAOYSA-N 1 2 329.407 3.424 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ncc(Cl)cc3Cl)C2)nc1 ZINC000366430568 168120234 /nfs/dbraw/zinc/12/02/34/168120234.db2.gz GMXANRZCUFUXBX-CYBMUJFWSA-N 1 2 349.221 3.308 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ncc(Cl)cc3Cl)C2)nc1 ZINC000366430568 168120236 /nfs/dbraw/zinc/12/02/36/168120236.db2.gz GMXANRZCUFUXBX-CYBMUJFWSA-N 1 2 349.221 3.308 20 30 EGEDLO Cc1nc(N2CCN(c3ccc(C(F)(F)F)c(C#N)c3)CC2)cc[nH+]1 ZINC000167516043 226192275 /nfs/dbraw/zinc/19/22/75/226192275.db2.gz IVDBNTWPEDCAHX-UHFFFAOYSA-N 1 2 347.344 3.002 20 30 EGEDLO Cc1cc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413192500 269915060 /nfs/dbraw/zinc/91/50/60/269915060.db2.gz NDIWCUUCHNHULL-YVEFUNNKSA-N 1 2 325.372 3.059 20 30 EGEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000371464144 270046091 /nfs/dbraw/zinc/04/60/91/270046091.db2.gz PBMUKTPESCYCCK-OAQYLSRUSA-N 1 2 332.403 3.144 20 30 EGEDLO C#CCOc1ccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000371464144 270046093 /nfs/dbraw/zinc/04/60/93/270046093.db2.gz PBMUKTPESCYCCK-OAQYLSRUSA-N 1 2 332.403 3.144 20 30 EGEDLO CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000177504008 265258845 /nfs/dbraw/zinc/25/88/45/265258845.db2.gz JLCWKCBYJIWGOF-UHFFFAOYSA-N 1 2 343.427 3.490 20 30 EGEDLO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000177504008 265258847 /nfs/dbraw/zinc/25/88/47/265258847.db2.gz JLCWKCBYJIWGOF-UHFFFAOYSA-N 1 2 343.427 3.490 20 30 EGEDLO CCC[N@H+](Cc1ccccc1O)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000157062746 266052760 /nfs/dbraw/zinc/05/27/60/266052760.db2.gz AIJOMTJHUVMRBG-IBGZPJMESA-N 1 2 338.407 3.390 20 30 EGEDLO CCC[N@@H+](Cc1ccccc1O)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000157062746 266052762 /nfs/dbraw/zinc/05/27/62/266052762.db2.gz AIJOMTJHUVMRBG-IBGZPJMESA-N 1 2 338.407 3.390 20 30 EGEDLO C[C@@H](c1nccs1)[NH+]1CCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000302189369 267005863 /nfs/dbraw/zinc/00/58/63/267005863.db2.gz KIMJCSMNNUNRDW-AWEZNQCLSA-N 1 2 349.463 3.446 20 30 EGEDLO C[C@@H]1CN(c2ccc(Nc3snc(Cl)c3C#N)c[nH+]2)C[C@@H](C)O1 ZINC000271332038 267062927 /nfs/dbraw/zinc/06/29/27/267062927.db2.gz QIIWLTORKSVZAU-NXEZZACHSA-N 1 2 349.847 3.420 20 30 EGEDLO CCOc1cccc(C[N@H+](CCO)Cc2cn3ccccc3c2C#N)c1 ZINC000452045888 267173324 /nfs/dbraw/zinc/17/33/24/267173324.db2.gz JPBYATVLTRKWPN-UHFFFAOYSA-N 1 2 349.434 3.204 20 30 EGEDLO CCOc1cccc(C[N@@H+](CCO)Cc2cn3ccccc3c2C#N)c1 ZINC000452045888 267173326 /nfs/dbraw/zinc/17/33/26/267173326.db2.gz JPBYATVLTRKWPN-UHFFFAOYSA-N 1 2 349.434 3.204 20 30 EGEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000454572690 267257055 /nfs/dbraw/zinc/25/70/55/267257055.db2.gz GIRSTEIOBUTJLO-CYBMUJFWSA-N 1 2 341.415 3.445 20 30 EGEDLO C[N@H+](Cc1cc(F)cc(F)c1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000444703940 267310622 /nfs/dbraw/zinc/31/06/22/267310622.db2.gz KNEXTONMLUDYBY-GOSISDBHSA-N 1 2 341.361 3.074 20 30 EGEDLO C[N@@H+](Cc1cc(F)cc(F)c1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000444703940 267310626 /nfs/dbraw/zinc/31/06/26/267310626.db2.gz KNEXTONMLUDYBY-GOSISDBHSA-N 1 2 341.361 3.074 20 30 EGEDLO COc1ccccc1C[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441178389 267657204 /nfs/dbraw/zinc/65/72/04/267657204.db2.gz OFXLBJBTZBSQMN-UHFFFAOYSA-N 1 2 334.379 3.249 20 30 EGEDLO COc1ccccc1C[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441178389 267657210 /nfs/dbraw/zinc/65/72/10/267657210.db2.gz OFXLBJBTZBSQMN-UHFFFAOYSA-N 1 2 334.379 3.249 20 30 EGEDLO N#Cc1cc(NC(=O)C2CC[NH+](CC(F)F)CC2)ccc1Cl ZINC000298196749 268005898 /nfs/dbraw/zinc/00/58/98/268005898.db2.gz XBDDGWLYHHCXAY-UHFFFAOYSA-N 1 2 327.762 3.127 20 30 EGEDLO Cc1ccc(CC(=O)N2CC[NH+](Cc3ccc(C#N)c(C)c3)CC2)cc1 ZINC000487866737 268034210 /nfs/dbraw/zinc/03/42/10/268034210.db2.gz BVQRQLRZEPNMSM-UHFFFAOYSA-N 1 2 347.462 3.062 20 30 EGEDLO Cc1[nH+]c2cc(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)ccc2n1C ZINC000525218113 268078833 /nfs/dbraw/zinc/07/88/33/268078833.db2.gz XLQHPLZUFZMWFZ-LBPRGKRZSA-N 1 2 334.379 3.159 20 30 EGEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)c2ccc(C#N)cn2)CC1 ZINC000527016291 268080785 /nfs/dbraw/zinc/08/07/85/268080785.db2.gz WKECLFWJVUINCB-UHFFFAOYSA-N 1 2 345.406 3.089 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c(C#N)c1C ZINC000425531827 268104316 /nfs/dbraw/zinc/10/43/16/268104316.db2.gz IERDALCGLTVAMX-CYBMUJFWSA-N 1 2 336.395 3.271 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c(C#N)c1C ZINC000425531827 268104317 /nfs/dbraw/zinc/10/43/17/268104317.db2.gz IERDALCGLTVAMX-CYBMUJFWSA-N 1 2 336.395 3.271 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]2Cc2ccccc2)c(C#N)c1C ZINC000437832288 268104625 /nfs/dbraw/zinc/10/46/25/268104625.db2.gz FNWKAGXGTRZTDE-YOEHRIQHSA-N 1 2 337.423 3.412 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H]2Cc2ccccc2)c(C#N)c1C ZINC000437832288 268104628 /nfs/dbraw/zinc/10/46/28/268104628.db2.gz FNWKAGXGTRZTDE-YOEHRIQHSA-N 1 2 337.423 3.412 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)nc1 ZINC000299039246 268118648 /nfs/dbraw/zinc/11/86/48/268118648.db2.gz JKOWMQIVTZYMKX-UHFFFAOYSA-N 1 2 346.356 3.294 20 30 EGEDLO N#Cc1ccc(N2CCN(c3cccc[nH+]3)CC2)cc1C(F)(F)F ZINC000301107418 268119639 /nfs/dbraw/zinc/11/96/39/268119639.db2.gz WIQCJEAPOHDMNW-UHFFFAOYSA-N 1 2 332.329 3.299 20 30 EGEDLO N#Cc1c(F)ccc(CNc2ccc(N3CCOCC3)[nH+]c2)c1Cl ZINC000428860410 268161385 /nfs/dbraw/zinc/16/13/85/268161385.db2.gz GURKUMUDQVWZPH-UHFFFAOYSA-N 1 2 346.793 3.194 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)c(Cl)c1 ZINC000439447601 268218796 /nfs/dbraw/zinc/21/87/96/268218796.db2.gz RYORGIWRKYCGSD-KRWDZBQOSA-N 1 2 343.814 3.085 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)c(Cl)c1 ZINC000439447601 268218799 /nfs/dbraw/zinc/21/87/99/268218799.db2.gz RYORGIWRKYCGSD-KRWDZBQOSA-N 1 2 343.814 3.085 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3ncc(Cl)cc3F)CC2)cc1 ZINC000430026366 268220882 /nfs/dbraw/zinc/22/08/82/268220882.db2.gz ZKYPOQIKWOVQMM-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO N#Cc1cccc(/C=C/C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000491844822 268266117 /nfs/dbraw/zinc/26/61/17/268266117.db2.gz KEODESIJWVKAPO-BQYQJAHWSA-N 1 2 328.375 3.074 20 30 EGEDLO N#Cc1cccc([N+](=O)[O-])c1NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000425202428 268294042 /nfs/dbraw/zinc/29/40/42/268294042.db2.gz BXYNRKOEUSICER-UHFFFAOYSA-N 1 2 337.383 3.464 20 30 EGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(C#N)c(F)c2)c1C ZINC000289564267 276358748 /nfs/dbraw/zinc/35/87/48/276358748.db2.gz APMXMZJPJMWVOY-UHFFFAOYSA-N 1 2 342.374 3.382 20 30 EGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)/C=C\c1cccc(C#N)c1)C2 ZINC000255179567 308043084 /nfs/dbraw/zinc/04/30/84/308043084.db2.gz BAQMZVSPLJACNS-FPLPWBNLSA-N 1 2 334.423 3.013 20 30 EGEDLO N#Cc1ccsc1C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255377166 308048530 /nfs/dbraw/zinc/04/85/30/308048530.db2.gz ITUYGVBLDXPYIN-DAXSKMNVSA-N 1 2 337.448 3.091 20 30 EGEDLO COC(=O)c1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1C#N ZINC000538176477 314230797 /nfs/dbraw/zinc/23/07/97/314230797.db2.gz LHCRZJRLYXGGJQ-LBPRGKRZSA-N 1 2 339.351 3.104 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000548754487 315043122 /nfs/dbraw/zinc/04/31/22/315043122.db2.gz PIBBYWZBAKPSNZ-PSTGCABASA-N 1 2 347.846 3.038 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000548754487 315043124 /nfs/dbraw/zinc/04/31/24/315043124.db2.gz PIBBYWZBAKPSNZ-PSTGCABASA-N 1 2 347.846 3.038 20 30 EGEDLO Cc1[nH+]c(C(C)C)ccc1CN(C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000571539310 317214466 /nfs/dbraw/zinc/21/44/66/317214466.db2.gz FEDBNQOFYRBBEA-UHFFFAOYSA-N 1 2 343.452 3.206 20 30 EGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)N(C)CCC#N ZINC000296366642 455919835 /nfs/dbraw/zinc/91/98/35/455919835.db2.gz QXZOZRZAXZHZFM-GFCCVEGCSA-N 1 2 325.865 3.150 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)N(C)CCC#N ZINC000296366642 455919839 /nfs/dbraw/zinc/91/98/39/455919839.db2.gz QXZOZRZAXZHZFM-GFCCVEGCSA-N 1 2 325.865 3.150 20 30 EGEDLO Cc1cc(C[NH+]2CC(n3cc(-c4ccccc4)nn3)C2)ccc1C#N ZINC000579671285 325141298 /nfs/dbraw/zinc/14/12/98/325141298.db2.gz USMFSOAACZASIZ-UHFFFAOYSA-N 1 2 329.407 3.182 20 30 EGEDLO CCOc1ccc2c(c1)CC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C2 ZINC000580333483 325236557 /nfs/dbraw/zinc/23/65/57/325236557.db2.gz UVOVXSYFDNGIEA-UHFFFAOYSA-N 1 2 337.379 3.423 20 30 EGEDLO CCOc1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C2 ZINC000580333483 325236560 /nfs/dbraw/zinc/23/65/60/325236560.db2.gz UVOVXSYFDNGIEA-UHFFFAOYSA-N 1 2 337.379 3.423 20 30 EGEDLO COCC[N@H+](CCC#N)Cc1ccc(Cl)c(Br)c1 ZINC000611413786 460359636 /nfs/dbraw/zinc/35/96/36/460359636.db2.gz UMOOSNWJZFAVAA-UHFFFAOYSA-N 1 2 331.641 3.465 20 30 EGEDLO COCC[N@@H+](CCC#N)Cc1ccc(Cl)c(Br)c1 ZINC000611413786 460359640 /nfs/dbraw/zinc/35/96/40/460359640.db2.gz UMOOSNWJZFAVAA-UHFFFAOYSA-N 1 2 331.641 3.465 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@H]([N@@H+](C)Cc3ncc(C(C)C)o3)C2)C1 ZINC000631781531 460556225 /nfs/dbraw/zinc/55/62/25/460556225.db2.gz MHACDDUAUGYTRY-HNNXBMFYSA-N 1 2 331.460 3.187 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@H]([N@H+](C)Cc3ncc(C(C)C)o3)C2)C1 ZINC000631781531 460556233 /nfs/dbraw/zinc/55/62/33/460556233.db2.gz MHACDDUAUGYTRY-HNNXBMFYSA-N 1 2 331.460 3.187 20 30 EGEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000007782605 453115106 /nfs/dbraw/zinc/11/51/06/453115106.db2.gz CQRBONAAMDWXPA-UHFFFAOYSA-N 1 2 337.448 3.299 20 30 EGEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000007782605 453115117 /nfs/dbraw/zinc/11/51/17/453115117.db2.gz CQRBONAAMDWXPA-UHFFFAOYSA-N 1 2 337.448 3.299 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000010142094 453276711 /nfs/dbraw/zinc/27/67/11/453276711.db2.gz HJHOAPVGWAXOMD-YPMHNXCESA-N 1 2 325.334 3.160 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000010142094 453276719 /nfs/dbraw/zinc/27/67/19/453276719.db2.gz HJHOAPVGWAXOMD-YPMHNXCESA-N 1 2 325.334 3.160 20 30 EGEDLO C[C@@H]([NH2+][C@@H](C)c1nccs1)C(=O)N(CCC#N)c1ccccc1 ZINC000174063671 455355809 /nfs/dbraw/zinc/35/58/09/455355809.db2.gz XYIMEYCIPQQZAK-UONOGXRCSA-N 1 2 328.441 3.129 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C(F)(F)F)C2)cc1Cl ZINC000023992374 453721463 /nfs/dbraw/zinc/72/14/63/453721463.db2.gz DJSUEEUGHGKQMT-LLVKDONJSA-N 1 2 345.752 3.424 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cc1Cl ZINC000023992374 453721467 /nfs/dbraw/zinc/72/14/67/453721467.db2.gz DJSUEEUGHGKQMT-LLVKDONJSA-N 1 2 345.752 3.424 20 30 EGEDLO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1cccc(C#N)c1 ZINC000026324356 453796532 /nfs/dbraw/zinc/79/65/32/453796532.db2.gz STSRWRZDIGDRNE-UHFFFAOYSA-N 1 2 349.350 3.148 20 30 EGEDLO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1cccc(C#N)c1 ZINC000026324356 453796534 /nfs/dbraw/zinc/79/65/34/453796534.db2.gz STSRWRZDIGDRNE-UHFFFAOYSA-N 1 2 349.350 3.148 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(F)cc3Cl)CC2)nc1 ZINC000029618681 453830185 /nfs/dbraw/zinc/83/01/85/453830185.db2.gz NDAYMLYKSGTHJJ-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO CN1CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)Cc2ccccc21 ZINC000075712301 453921250 /nfs/dbraw/zinc/92/12/50/453921250.db2.gz NUSHBFDDNAVVGE-UHFFFAOYSA-N 1 2 345.406 3.060 20 30 EGEDLO CN1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)Cc2ccccc21 ZINC000075712301 453921251 /nfs/dbraw/zinc/92/12/51/453921251.db2.gz NUSHBFDDNAVVGE-UHFFFAOYSA-N 1 2 345.406 3.060 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000083422658 453948552 /nfs/dbraw/zinc/94/85/52/453948552.db2.gz CFSXUZPLBHQANL-LJQANCHMSA-N 1 2 345.874 3.484 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000083422658 453948554 /nfs/dbraw/zinc/94/85/54/453948554.db2.gz CFSXUZPLBHQANL-LJQANCHMSA-N 1 2 345.874 3.484 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)N1CCCCCC1 ZINC000076153987 453972478 /nfs/dbraw/zinc/97/24/78/453972478.db2.gz QCHZNSDAVIXBBD-RTBURBONSA-N 1 2 325.456 3.161 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)N1CCCCCC1 ZINC000076153987 453972484 /nfs/dbraw/zinc/97/24/84/453972484.db2.gz QCHZNSDAVIXBBD-RTBURBONSA-N 1 2 325.456 3.161 20 30 EGEDLO N#Cc1csc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000084281971 453981723 /nfs/dbraw/zinc/98/17/23/453981723.db2.gz WWFAOKRFVCZVKF-UHFFFAOYSA-N 1 2 332.454 3.314 20 30 EGEDLO CC[N@H+](CC(=O)NCC#Cc1ccccc1)Cc1ccccc1Cl ZINC000042157381 453998474 /nfs/dbraw/zinc/99/84/74/453998474.db2.gz UDHVYSOJLYCXJV-UHFFFAOYSA-N 1 2 340.854 3.330 20 30 EGEDLO CC[N@@H+](CC(=O)NCC#Cc1ccccc1)Cc1ccccc1Cl ZINC000042157381 453998477 /nfs/dbraw/zinc/99/84/77/453998477.db2.gz UDHVYSOJLYCXJV-UHFFFAOYSA-N 1 2 340.854 3.330 20 30 EGEDLO COc1ccccc1[C@@H]([NH2+]Cc1cccc(C#N)c1)c1nccn1C ZINC000042204675 454000729 /nfs/dbraw/zinc/00/07/29/454000729.db2.gz LZOFUHZWUZXVNY-LJQANCHMSA-N 1 2 332.407 3.180 20 30 EGEDLO N#Cc1ccc(SCC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000068420334 454024901 /nfs/dbraw/zinc/02/49/01/454024901.db2.gz NTKJOYWBWFKFPK-UHFFFAOYSA-N 1 2 340.452 3.054 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068637337 454041128 /nfs/dbraw/zinc/04/11/28/454041128.db2.gz YBMINFXEXWSUQK-UHFFFAOYSA-N 1 2 341.480 3.462 20 30 EGEDLO C[C@@H](CC#N)N(C)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000086283127 454046156 /nfs/dbraw/zinc/04/61/56/454046156.db2.gz GRJMMIGPVABGKN-ARFHVFGLSA-N 1 2 344.459 3.062 20 30 EGEDLO C=CC[N@@H+](CC(=O)N[C@H]1CCCC[C@H]1C)Cc1cccc(C#N)c1 ZINC000068827180 454057979 /nfs/dbraw/zinc/05/79/79/454057979.db2.gz HPKDZFSJVINNJL-APWZRJJASA-N 1 2 325.456 3.241 20 30 EGEDLO C=CC[N@H+](CC(=O)N[C@H]1CCCC[C@H]1C)Cc1cccc(C#N)c1 ZINC000068827180 454057980 /nfs/dbraw/zinc/05/79/80/454057980.db2.gz HPKDZFSJVINNJL-APWZRJJASA-N 1 2 325.456 3.241 20 30 EGEDLO N#CC1(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CCCCC1 ZINC000057431877 454128009 /nfs/dbraw/zinc/12/80/09/454128009.db2.gz UNZUXHKYUVPGQE-UHFFFAOYSA-N 1 2 326.444 3.162 20 30 EGEDLO C#CCN(Cc1[nH+]ccn1CC(F)(F)F)Cc1ccc(F)cc1 ZINC000057873452 454154156 /nfs/dbraw/zinc/15/41/56/454154156.db2.gz JIVXZAFLLMOTPO-UHFFFAOYSA-N 1 2 325.309 3.220 20 30 EGEDLO COC(=O)c1oc(CO[NH+]=C(N)Cc2ccccc2Cl)cc1C ZINC000058407041 454199429 /nfs/dbraw/zinc/19/94/29/454199429.db2.gz OBHMMPQAGPANFS-UHFFFAOYSA-N 1 2 336.775 3.060 20 30 EGEDLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046528574 454261046 /nfs/dbraw/zinc/26/10/46/454261046.db2.gz YCVSJGGHPDIPKV-AWEZNQCLSA-N 1 2 335.407 3.220 20 30 EGEDLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046528574 454261049 /nfs/dbraw/zinc/26/10/49/454261049.db2.gz YCVSJGGHPDIPKV-AWEZNQCLSA-N 1 2 335.407 3.220 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccn2C)c(C#N)c1C ZINC000078729034 454306890 /nfs/dbraw/zinc/30/68/90/454306890.db2.gz SSQKIJUBJHIKLI-MRXNPFEDSA-N 1 2 342.468 3.351 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccn2C)c(C#N)c1C ZINC000078729034 454306895 /nfs/dbraw/zinc/30/68/95/454306895.db2.gz SSQKIJUBJHIKLI-MRXNPFEDSA-N 1 2 342.468 3.351 20 30 EGEDLO N#C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1cccc(Cl)c1Cl ZINC000132274480 454325880 /nfs/dbraw/zinc/32/58/80/454325880.db2.gz XRHFBIIZBJKHCD-HZMBPMFUSA-N 1 2 349.221 3.133 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000061576748 454345721 /nfs/dbraw/zinc/34/57/21/454345721.db2.gz NWSWUTSCFQMCRR-UHFFFAOYSA-N 1 2 336.420 3.405 20 30 EGEDLO CC(C)[C@H]1C[N@H+](CC(=O)Nc2ccccc2SCC#N)CCS1 ZINC000072837011 454349900 /nfs/dbraw/zinc/34/99/00/454349900.db2.gz GDIKVTHMYVYQBG-MRXNPFEDSA-N 1 2 349.525 3.314 20 30 EGEDLO CC(C)[C@H]1C[N@@H+](CC(=O)Nc2ccccc2SCC#N)CCS1 ZINC000072837011 454349903 /nfs/dbraw/zinc/34/99/03/454349903.db2.gz GDIKVTHMYVYQBG-MRXNPFEDSA-N 1 2 349.525 3.314 20 30 EGEDLO C=CC[N@H+](CCc1ccccc1)CCS(=O)(=O)c1ccccc1 ZINC000062364384 454375205 /nfs/dbraw/zinc/37/52/05/454375205.db2.gz IZSGUAIIEKXHLU-UHFFFAOYSA-N 1 2 329.465 3.191 20 30 EGEDLO C=CC[N@@H+](CCc1ccccc1)CCS(=O)(=O)c1ccccc1 ZINC000062364384 454375212 /nfs/dbraw/zinc/37/52/12/454375212.db2.gz IZSGUAIIEKXHLU-UHFFFAOYSA-N 1 2 329.465 3.191 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1OC ZINC000121236754 454410072 /nfs/dbraw/zinc/41/00/72/454410072.db2.gz QRDLVFDOJZKTGK-INIZCTEOSA-N 1 2 327.428 3.363 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1OC ZINC000121236754 454410075 /nfs/dbraw/zinc/41/00/75/454410075.db2.gz QRDLVFDOJZKTGK-INIZCTEOSA-N 1 2 327.428 3.363 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000073622316 454458867 /nfs/dbraw/zinc/45/88/67/454458867.db2.gz PPCPCRSUXGVKMW-LBPRGKRZSA-N 1 2 348.497 3.124 20 30 EGEDLO C[N@H+](Cc1cccc(C#N)c1)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000073615439 454459013 /nfs/dbraw/zinc/45/90/13/454459013.db2.gz RAZBQIZEHBBLOH-IBGZPJMESA-N 1 2 337.398 3.149 20 30 EGEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000073615439 454459018 /nfs/dbraw/zinc/45/90/18/454459018.db2.gz RAZBQIZEHBBLOH-IBGZPJMESA-N 1 2 337.398 3.149 20 30 EGEDLO C=CCc1cc(C[N@H+](C)CC(=O)Nc2ccccc2)cc(OC)c1O ZINC000091901858 454487828 /nfs/dbraw/zinc/48/78/28/454487828.db2.gz GSJOVVXGJSUPIU-UHFFFAOYSA-N 1 2 340.423 3.200 20 30 EGEDLO C=CCc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2)cc(OC)c1O ZINC000091901858 454487834 /nfs/dbraw/zinc/48/78/34/454487834.db2.gz GSJOVVXGJSUPIU-UHFFFAOYSA-N 1 2 340.423 3.200 20 30 EGEDLO CC[C@H](C#N)NC(=O)c1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000102349823 454500635 /nfs/dbraw/zinc/50/06/35/454500635.db2.gz MAWYIQPWMBRLAC-MRXNPFEDSA-N 1 2 348.406 3.254 20 30 EGEDLO Cc1ccn2cc(CNC(=O)N[C@H](C)c3ccc(C#N)cc3)[nH+]c2c1 ZINC000080103562 454533264 /nfs/dbraw/zinc/53/32/64/454533264.db2.gz GGJOHXYFEVAINA-CQSZACIVSA-N 1 2 333.395 3.075 20 30 EGEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)CC2 ZINC000065163663 454534134 /nfs/dbraw/zinc/53/41/34/454534134.db2.gz ZZTMBALDSGOESM-UHFFFAOYSA-N 1 2 349.434 3.000 20 30 EGEDLO COc1ccc2c(c1)C[N@H+](CC(=O)N(CCC#N)c1ccccc1)CC2 ZINC000065163663 454534139 /nfs/dbraw/zinc/53/41/39/454534139.db2.gz ZZTMBALDSGOESM-UHFFFAOYSA-N 1 2 349.434 3.000 20 30 EGEDLO C=CC[N@@H+](Cc1ccc2cc(OC)ccc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361065 454556433 /nfs/dbraw/zinc/55/64/33/454556433.db2.gz YDEVMZCSEWTBRQ-SFHVURJKSA-N 1 2 345.464 3.024 20 30 EGEDLO C=CC[N@H+](Cc1ccc2cc(OC)ccc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361065 454556436 /nfs/dbraw/zinc/55/64/36/454556436.db2.gz YDEVMZCSEWTBRQ-SFHVURJKSA-N 1 2 345.464 3.024 20 30 EGEDLO N#CCC[N@@H+](CC(=O)NCC1(c2ccccc2)CCCC1)CC1CC1 ZINC000081044481 454676533 /nfs/dbraw/zinc/67/65/33/454676533.db2.gz STYAVMLQKLMDIH-UHFFFAOYSA-N 1 2 339.483 3.240 20 30 EGEDLO N#CCC[N@H+](CC(=O)NCC1(c2ccccc2)CCCC1)CC1CC1 ZINC000081044481 454676538 /nfs/dbraw/zinc/67/65/38/454676538.db2.gz STYAVMLQKLMDIH-UHFFFAOYSA-N 1 2 339.483 3.240 20 30 EGEDLO N#CCC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccco1 ZINC000176295560 454724549 /nfs/dbraw/zinc/72/45/49/454724549.db2.gz CXTGRUVBYOQGGQ-UHFFFAOYSA-N 1 2 329.356 3.373 20 30 EGEDLO N#CCC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccco1 ZINC000176295560 454724551 /nfs/dbraw/zinc/72/45/51/454724551.db2.gz CXTGRUVBYOQGGQ-UHFFFAOYSA-N 1 2 329.356 3.373 20 30 EGEDLO C=CCOc1ccc(C[N@@H+](CCS(C)(=O)=O)C(C)C)cc1Cl ZINC000093707604 454730652 /nfs/dbraw/zinc/73/06/52/454730652.db2.gz ZMERMKRMLLHMMI-UHFFFAOYSA-N 1 2 345.892 3.160 20 30 EGEDLO C=CCOc1ccc(C[N@H+](CCS(C)(=O)=O)C(C)C)cc1Cl ZINC000093707604 454730653 /nfs/dbraw/zinc/73/06/53/454730653.db2.gz ZMERMKRMLLHMMI-UHFFFAOYSA-N 1 2 345.892 3.160 20 30 EGEDLO Cc1ccc([C@@H]2CCCC[N@@H+]2CC(=O)NC2(C#N)CCCCC2)o1 ZINC000124679428 454759715 /nfs/dbraw/zinc/75/97/15/454759715.db2.gz QOPMHINYNOHZIH-INIZCTEOSA-N 1 2 329.444 3.458 20 30 EGEDLO Cc1ccc([C@@H]2CCCC[N@H+]2CC(=O)NC2(C#N)CCCCC2)o1 ZINC000124679428 454759719 /nfs/dbraw/zinc/75/97/19/454759719.db2.gz QOPMHINYNOHZIH-INIZCTEOSA-N 1 2 329.444 3.458 20 30 EGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(C#N)CC1 ZINC000108361833 454794992 /nfs/dbraw/zinc/79/49/92/454794992.db2.gz FZOFVYJRPDGRSL-AWEZNQCLSA-N 1 2 342.468 3.112 20 30 EGEDLO COCCN(C)c1ccc(/C=C2/Cc3cc(F)ccc3C2=O)c[nH+]1 ZINC000191303065 455476055 /nfs/dbraw/zinc/47/60/55/455476055.db2.gz KDPUNBWAANQWGX-DHDCSXOGSA-N 1 2 326.371 3.126 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccncc2)cc1Cl ZINC000125510250 454828730 /nfs/dbraw/zinc/82/87/30/454828730.db2.gz UYJCVQMOKRRUFQ-KRWDZBQOSA-N 1 2 340.814 3.382 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccncc2)cc1Cl ZINC000125510250 454828734 /nfs/dbraw/zinc/82/87/34/454828734.db2.gz UYJCVQMOKRRUFQ-KRWDZBQOSA-N 1 2 340.814 3.382 20 30 EGEDLO C=CCC(CC=C)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000126368491 454889251 /nfs/dbraw/zinc/88/92/51/454889251.db2.gz QWABOVFOIJMZAM-UHFFFAOYSA-N 1 2 327.472 3.141 20 30 EGEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1ncc(-c2ccccc2F)o1 ZINC000154609905 454912268 /nfs/dbraw/zinc/91/22/68/454912268.db2.gz IVLMPUCCOHNGAE-LBPRGKRZSA-N 1 2 335.379 3.331 20 30 EGEDLO C#CCOc1ccc(C[NH2+][C@@H](c2nccn2C)c2cccc(F)c2)cc1 ZINC000113319104 454921835 /nfs/dbraw/zinc/92/18/35/454921835.db2.gz RWGVBZZZVFPWDM-HXUWFJFHSA-N 1 2 349.409 3.450 20 30 EGEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000155404755 454997765 /nfs/dbraw/zinc/99/77/65/454997765.db2.gz STHDAFBISAMADC-UHFFFAOYSA-N 1 2 329.444 3.232 20 30 EGEDLO C[N@H+](CCCC(C)(C)C#N)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000155509298 455009878 /nfs/dbraw/zinc/00/98/78/455009878.db2.gz XRKFNUQHURPRGQ-CQSZACIVSA-N 1 2 340.876 3.430 20 30 EGEDLO C[N@@H+](CCCC(C)(C)C#N)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000155509298 455009880 /nfs/dbraw/zinc/00/98/80/455009880.db2.gz XRKFNUQHURPRGQ-CQSZACIVSA-N 1 2 340.876 3.430 20 30 EGEDLO C=CCOc1cccc(C[NH+]2CCN(Cc3c(C)noc3C)CC2)c1 ZINC000118974004 455118610 /nfs/dbraw/zinc/11/86/10/455118610.db2.gz WHTZXXBRGWQILF-UHFFFAOYSA-N 1 2 341.455 3.174 20 30 EGEDLO C=CCOc1cccc(CN2CC[NH+](Cc3c(C)noc3C)CC2)c1 ZINC000118974004 455118613 /nfs/dbraw/zinc/11/86/13/455118613.db2.gz WHTZXXBRGWQILF-UHFFFAOYSA-N 1 2 341.455 3.174 20 30 EGEDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C[C@@H](C#N)CCC#N)CC1 ZINC000264162419 455193314 /nfs/dbraw/zinc/19/33/14/455193314.db2.gz WIMXEAZTQUBYBD-LSDHHAIUSA-N 1 2 332.398 3.087 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCS[C@@H](C(C)C)C2)c(C#N)c1C ZINC000245459402 455306212 /nfs/dbraw/zinc/30/62/12/455306212.db2.gz VIKXHOMWLPQLQU-IUODEOHRSA-N 1 2 335.473 3.169 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCS[C@@H](C(C)C)C2)c(C#N)c1C ZINC000245459402 455306215 /nfs/dbraw/zinc/30/62/15/455306215.db2.gz VIKXHOMWLPQLQU-IUODEOHRSA-N 1 2 335.473 3.169 20 30 EGEDLO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H](C)C#N ZINC000183814198 455330144 /nfs/dbraw/zinc/33/01/44/455330144.db2.gz DBZCYAMOHPTOKR-NSHDSACASA-N 1 2 333.233 3.193 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1ccccc1CC#N ZINC000600996925 460668683 /nfs/dbraw/zinc/66/86/83/460668683.db2.gz KSSMMPVGLGUHIN-UHFFFAOYSA-N 1 2 332.407 3.231 20 30 EGEDLO CS(=O)(=O)C[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccccc1 ZINC000181775842 455381224 /nfs/dbraw/zinc/38/12/24/455381224.db2.gz DHUGABCSBHGXSM-GOSISDBHSA-N 1 2 347.867 3.067 20 30 EGEDLO N#CCc1ccccc1C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000600998938 460670261 /nfs/dbraw/zinc/67/02/61/460670261.db2.gz PNQUPHXLNWIHDU-UHFFFAOYSA-N 1 2 334.423 3.068 20 30 EGEDLO N#Cc1cc(C(F)(F)F)ccc1N1CCN(c2cccc[nH+]2)CC1 ZINC000267077102 455499078 /nfs/dbraw/zinc/49/90/78/455499078.db2.gz ULWZEKOCIUODOG-UHFFFAOYSA-N 1 2 332.329 3.299 20 30 EGEDLO C=CCc1cc(C[N@@H+]([C@H](C)C(=O)OC)C2CCC2)cc(OC)c1O ZINC000191647567 455507175 /nfs/dbraw/zinc/50/71/75/455507175.db2.gz ANGBBRJWFJUEAB-CYBMUJFWSA-N 1 2 333.428 3.045 20 30 EGEDLO C=CCc1cc(C[N@H+]([C@H](C)C(=O)OC)C2CCC2)cc(OC)c1O ZINC000191647567 455507178 /nfs/dbraw/zinc/50/71/78/455507178.db2.gz ANGBBRJWFJUEAB-CYBMUJFWSA-N 1 2 333.428 3.045 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)ccc1F ZINC000160956546 455517778 /nfs/dbraw/zinc/51/77/78/455517778.db2.gz KTUYZHNCERYAHL-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)ccc1F ZINC000160956546 455517782 /nfs/dbraw/zinc/51/77/82/455517782.db2.gz KTUYZHNCERYAHL-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO Cc1cccc(C(=O)N2CCC[N@H+](CC#Cc3ccccc3)CC2)c1 ZINC000191932058 455532893 /nfs/dbraw/zinc/53/28/93/455532893.db2.gz SYHZQGZZBMWDSF-UHFFFAOYSA-N 1 2 332.447 3.195 20 30 EGEDLO Cc1cccc(C(=O)N2CCC[N@@H+](CC#Cc3ccccc3)CC2)c1 ZINC000191932058 455532897 /nfs/dbraw/zinc/53/28/97/455532897.db2.gz SYHZQGZZBMWDSF-UHFFFAOYSA-N 1 2 332.447 3.195 20 30 EGEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)CCCCC1 ZINC000185334656 455542410 /nfs/dbraw/zinc/54/24/10/455542410.db2.gz AYEJXAXJEKEGIZ-CQSZACIVSA-N 1 2 347.409 3.097 20 30 EGEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)CCCCC1 ZINC000185334656 455542417 /nfs/dbraw/zinc/54/24/17/455542417.db2.gz AYEJXAXJEKEGIZ-CQSZACIVSA-N 1 2 347.409 3.097 20 30 EGEDLO C=CCN(C)C(=O)c1ccccc1OCc1cn2cccc(C)c2[nH+]1 ZINC000161440641 455570839 /nfs/dbraw/zinc/57/08/39/455570839.db2.gz NKIFNPLTCLBILJ-UHFFFAOYSA-N 1 2 335.407 3.480 20 30 EGEDLO C#CCOc1ccc(C[NH+]2CCN([C@H](C)c3nccs3)CC2)cc1 ZINC000185617287 455585543 /nfs/dbraw/zinc/58/55/43/455585543.db2.gz IQSAEYOTFWKLKX-MRXNPFEDSA-N 1 2 341.480 3.034 20 30 EGEDLO CC(C)c1cccc(C(C)C)c1NC(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000283969380 455617631 /nfs/dbraw/zinc/61/76/31/455617631.db2.gz GIIKCIFIWWAFGW-INIZCTEOSA-N 1 2 347.459 3.340 20 30 EGEDLO C=CC[N@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)C1CC1 ZINC000271448049 455640262 /nfs/dbraw/zinc/64/02/62/455640262.db2.gz NRPVQTJWNMLWBG-MRXNPFEDSA-N 1 2 339.395 3.201 20 30 EGEDLO C=CC[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)C1CC1 ZINC000271448049 455640265 /nfs/dbraw/zinc/64/02/65/455640265.db2.gz NRPVQTJWNMLWBG-MRXNPFEDSA-N 1 2 339.395 3.201 20 30 EGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cccc3nsnc32)CC1 ZINC000268956189 455744007 /nfs/dbraw/zinc/74/40/07/455744007.db2.gz UZGMEZQDLHSRDY-SFHVURJKSA-N 1 2 349.463 3.074 20 30 EGEDLO C[C@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1ccc(OCC#N)cc1 ZINC000271892483 455798301 /nfs/dbraw/zinc/79/83/01/455798301.db2.gz SHECMKOOKXGKAB-YVEFUNNKSA-N 1 2 332.350 3.251 20 30 EGEDLO C[C@@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1ccc(OCC#N)cc1 ZINC000271892474 455798412 /nfs/dbraw/zinc/79/84/12/455798412.db2.gz SHECMKOOKXGKAB-PXAZEXFGSA-N 1 2 332.350 3.251 20 30 EGEDLO CC(C)CCOC1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000194335543 455828974 /nfs/dbraw/zinc/82/89/74/455828974.db2.gz RDOUHOLUQSIXBD-UHFFFAOYSA-N 1 2 335.473 3.085 20 30 EGEDLO CC(=O)c1cccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC000294853944 455829963 /nfs/dbraw/zinc/82/99/63/455829963.db2.gz CLJNOBCDMKTXBP-NRFANRHFSA-N 1 2 333.435 3.272 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000278474803 455837959 /nfs/dbraw/zinc/83/79/59/455837959.db2.gz JBVQYBWBJQLDPN-OAHLLOKOSA-N 1 2 330.819 3.219 20 30 EGEDLO C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(C)[nH+]c1C)c1ccccc1 ZINC000269529555 455849485 /nfs/dbraw/zinc/84/94/85/455849485.db2.gz SMHDURCCWSJNNW-GOSISDBHSA-N 1 2 337.423 3.461 20 30 EGEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1nc(C(F)(F)F)cs1 ZINC000269794039 455853999 /nfs/dbraw/zinc/85/39/99/455853999.db2.gz AXPAHVZLOMEPGM-MRVPVSSYSA-N 1 2 325.356 3.012 20 30 EGEDLO C#CCCOc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc1 ZINC000295792970 455859696 /nfs/dbraw/zinc/85/96/96/455859696.db2.gz FHZDRDYYKXWMQL-KRWDZBQOSA-N 1 2 337.423 3.046 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000255150425 455861964 /nfs/dbraw/zinc/86/19/64/455861964.db2.gz PKZRGUVYRSVTBU-AOIWGVFYSA-N 1 2 330.472 3.262 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000255150425 455861968 /nfs/dbraw/zinc/86/19/68/455861968.db2.gz PKZRGUVYRSVTBU-AOIWGVFYSA-N 1 2 330.472 3.262 20 30 EGEDLO Cc1ccc2[nH+]c(COc3ccccc3C(=O)N[C@@H](C)CC#N)cn2c1 ZINC000194641824 455867765 /nfs/dbraw/zinc/86/77/65/455867765.db2.gz ZQEGKYIWZNWTQY-HNNXBMFYSA-N 1 2 348.406 3.254 20 30 EGEDLO N#CCc1cccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000279556440 455868508 /nfs/dbraw/zinc/86/85/08/455868508.db2.gz PPKFKVPMHWGAQF-UHFFFAOYSA-N 1 2 348.450 3.305 20 30 EGEDLO N#C[C@@H](Sc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)C1CC1 ZINC000601069420 460698639 /nfs/dbraw/zinc/69/86/39/460698639.db2.gz IJCJABFXFURYTP-MRXNPFEDSA-N 1 2 339.468 3.257 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)Cc1csc(N(C(C)=O)C2CC2)n1 ZINC000272239112 455888163 /nfs/dbraw/zinc/88/81/63/455888163.db2.gz GGIBZNMAMWYXBO-UHFFFAOYSA-N 1 2 345.468 3.482 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)Cc1csc(N(C(C)=O)C2CC2)n1 ZINC000272239112 455888169 /nfs/dbraw/zinc/88/81/69/455888169.db2.gz GGIBZNMAMWYXBO-UHFFFAOYSA-N 1 2 345.468 3.482 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000272302762 455907056 /nfs/dbraw/zinc/90/70/56/455907056.db2.gz QCDMFWUGUBCFEJ-UHFFFAOYSA-N 1 2 343.383 3.165 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000272302762 455907064 /nfs/dbraw/zinc/90/70/64/455907064.db2.gz QCDMFWUGUBCFEJ-UHFFFAOYSA-N 1 2 343.383 3.165 20 30 EGEDLO C#CC[C@H]([NH2+]Cc1csc(N(CC)C(C)=O)n1)c1ccccc1 ZINC000270267609 455916418 /nfs/dbraw/zinc/91/64/18/455916418.db2.gz XAVLEPSGHNENHE-KRWDZBQOSA-N 1 2 327.453 3.370 20 30 EGEDLO C=CCCCCCCNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000287306820 456067005 /nfs/dbraw/zinc/06/70/05/456067005.db2.gz KTHAWMAFFYLWMO-UHFFFAOYSA-N 1 2 330.476 3.045 20 30 EGEDLO C=CC[C@H]1[N@@H+](CC2=Nc3ccccc3S(=O)(=O)N2)CCCC1(C)C ZINC000332533728 456087730 /nfs/dbraw/zinc/08/77/30/456087730.db2.gz WWVDPODMZQGROG-MRXNPFEDSA-N 1 2 347.484 3.075 20 30 EGEDLO C=CC[C@H]1[N@H+](CC2=Nc3ccccc3S(=O)(=O)N2)CCCC1(C)C ZINC000332533728 456087736 /nfs/dbraw/zinc/08/77/36/456087736.db2.gz WWVDPODMZQGROG-MRXNPFEDSA-N 1 2 347.484 3.075 20 30 EGEDLO C#C[C@@H](NC(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21)C(C)C ZINC000281034826 456116026 /nfs/dbraw/zinc/11/60/26/456116026.db2.gz IHDJBTUUWGVWMF-DLBZAZTESA-N 1 2 338.455 3.177 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c(C#N)c1C ZINC000289704795 456137407 /nfs/dbraw/zinc/13/74/07/456137407.db2.gz ITQFJFRFRYKGIS-HOCLYGCPSA-N 1 2 347.484 3.065 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c(C#N)c1C ZINC000289704795 456137415 /nfs/dbraw/zinc/13/74/15/456137415.db2.gz ITQFJFRFRYKGIS-HOCLYGCPSA-N 1 2 347.484 3.065 20 30 EGEDLO Cc1nc(CC(N)=[NH+]OCc2nc(Cl)ccc2Cl)cs1 ZINC000274117375 456251317 /nfs/dbraw/zinc/25/13/17/456251317.db2.gz XOVVZMVYAVEJDA-UHFFFAOYSA-N 1 2 331.228 3.185 20 30 EGEDLO CC#CCCCC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000274268156 456253669 /nfs/dbraw/zinc/25/36/69/456253669.db2.gz ADJMHZVEJAQFFV-UHFFFAOYSA-N 1 2 347.462 3.454 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)c2nc3ccccc3n2C(F)F)C1=O ZINC000281518960 456255577 /nfs/dbraw/zinc/25/55/77/456255577.db2.gz ZFQBHOHMIXBPBI-SWLSCSKDSA-N 1 2 348.397 3.211 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)c2nc3ccccc3n2C(F)F)C1=O ZINC000281518960 456255579 /nfs/dbraw/zinc/25/55/79/456255579.db2.gz ZFQBHOHMIXBPBI-SWLSCSKDSA-N 1 2 348.397 3.211 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000352796052 456317167 /nfs/dbraw/zinc/31/71/67/456317167.db2.gz FYIORMNNBWWBNT-IRXDYDNUSA-N 1 2 348.487 3.330 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000352796052 456317174 /nfs/dbraw/zinc/31/71/74/456317174.db2.gz FYIORMNNBWWBNT-IRXDYDNUSA-N 1 2 348.487 3.330 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccccc1 ZINC000352798751 456317775 /nfs/dbraw/zinc/31/77/75/456317775.db2.gz XKBADKIAUIVGAZ-OAHLLOKOSA-N 1 2 328.412 3.177 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccccc1 ZINC000352798751 456317784 /nfs/dbraw/zinc/31/77/84/456317784.db2.gz XKBADKIAUIVGAZ-OAHLLOKOSA-N 1 2 328.412 3.177 20 30 EGEDLO C=CCN1CC[C@H]([N@H+]2CCc3c(Br)cccc3[C@@H]2C)C1=O ZINC000337167282 456331975 /nfs/dbraw/zinc/33/19/75/456331975.db2.gz AUBITMVDDZCQNB-LRDDRELGSA-N 1 2 349.272 3.155 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+]2CCc3c(Br)cccc3[C@@H]2C)C1=O ZINC000337167282 456331979 /nfs/dbraw/zinc/33/19/79/456331979.db2.gz AUBITMVDDZCQNB-LRDDRELGSA-N 1 2 349.272 3.155 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(F)cc(F)c3)CC2)c(F)c1 ZINC000352817665 456333639 /nfs/dbraw/zinc/33/36/39/456333639.db2.gz RIYMICWSSIUHJO-UHFFFAOYSA-N 1 2 331.341 3.298 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000347733961 456336843 /nfs/dbraw/zinc/33/68/43/456336843.db2.gz WXUCNZLPFBGSMH-SFHVURJKSA-N 1 2 338.455 3.209 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000347733961 456336846 /nfs/dbraw/zinc/33/68/46/456336846.db2.gz WXUCNZLPFBGSMH-SFHVURJKSA-N 1 2 338.455 3.209 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000347733961 456336854 /nfs/dbraw/zinc/33/68/54/456336854.db2.gz WXUCNZLPFBGSMH-SFHVURJKSA-N 1 2 338.455 3.209 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000347733961 456336861 /nfs/dbraw/zinc/33/68/61/456336861.db2.gz WXUCNZLPFBGSMH-SFHVURJKSA-N 1 2 338.455 3.209 20 30 EGEDLO C=CCN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Cc1ccc(Cl)s1 ZINC000343244337 456478419 /nfs/dbraw/zinc/47/84/19/456478419.db2.gz CQUQOTZETVPMMV-OKILXGFUSA-N 1 2 326.893 3.253 20 30 EGEDLO C=CCN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)Cc1ccc(Cl)s1 ZINC000343244337 456478425 /nfs/dbraw/zinc/47/84/25/456478425.db2.gz CQUQOTZETVPMMV-OKILXGFUSA-N 1 2 326.893 3.253 20 30 EGEDLO Cn1cc[nH+]c1CNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000343290480 456511415 /nfs/dbraw/zinc/51/14/15/456511415.db2.gz WPVQAWJYFMOXLR-UHFFFAOYSA-N 1 2 348.431 3.373 20 30 EGEDLO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2Br)C[C@@H](C2CC2)O1 ZINC000348205140 456536462 /nfs/dbraw/zinc/53/64/62/456536462.db2.gz IXWZYPMIJTVKKU-ZBEGNZNMSA-N 1 2 335.245 3.320 20 30 EGEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)C[C@@H](C2CC2)O1 ZINC000348205140 456536465 /nfs/dbraw/zinc/53/64/65/456536465.db2.gz IXWZYPMIJTVKKU-ZBEGNZNMSA-N 1 2 335.245 3.320 20 30 EGEDLO C[C@@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)c1ncnn1C ZINC000276761353 456573179 /nfs/dbraw/zinc/57/31/79/456573179.db2.gz USAPCFYUXJFISN-OAHLLOKOSA-N 1 2 347.422 3.117 20 30 EGEDLO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3cc(C#N)n(C)c3)n2)cc1 ZINC000276806139 456585971 /nfs/dbraw/zinc/58/59/71/456585971.db2.gz WZCVZWMPVBYTGD-ZDUSSCGKSA-N 1 2 335.411 3.360 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1cccc(C#N)c1 ZINC000353302408 456623297 /nfs/dbraw/zinc/62/32/97/456623297.db2.gz CZUKKHSOJCLDER-UHFFFAOYSA-N 1 2 326.306 3.133 20 30 EGEDLO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+](C)C[C@H](C)C#N ZINC000299164976 456624097 /nfs/dbraw/zinc/62/40/97/456624097.db2.gz NLFWPXWTNPHYQY-IAGOWNOFSA-N 1 2 335.451 3.372 20 30 EGEDLO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+](C)C[C@H](C)C#N ZINC000299164976 456624101 /nfs/dbraw/zinc/62/41/01/456624101.db2.gz NLFWPXWTNPHYQY-IAGOWNOFSA-N 1 2 335.451 3.372 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1)OCC ZINC000338260822 456737350 /nfs/dbraw/zinc/73/73/50/456737350.db2.gz JQMLLBIDLPVSDC-DLBZAZTESA-N 1 2 336.863 3.184 20 30 EGEDLO O=C(N[C@@H]1CCCC12CCOCC2)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000328825264 456769523 /nfs/dbraw/zinc/76/95/23/456769523.db2.gz SJCSQRZBYGQGJA-HUUCEWRRSA-N 1 2 332.448 3.200 20 30 EGEDLO C[C@@H](C#N)C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000338345711 456779205 /nfs/dbraw/zinc/77/92/05/456779205.db2.gz HBINISPBPXNECH-ZDUSSCGKSA-N 1 2 340.383 3.416 20 30 EGEDLO C[C@@H](C#N)C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000338345711 456779210 /nfs/dbraw/zinc/77/92/10/456779210.db2.gz HBINISPBPXNECH-ZDUSSCGKSA-N 1 2 340.383 3.416 20 30 EGEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)C[C@H]1n1cc[nH+]c1 ZINC000328930549 456794253 /nfs/dbraw/zinc/79/42/53/456794253.db2.gz HMTMLEBSJKLKTO-VQHPVUNQSA-N 1 2 348.491 3.274 20 30 EGEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCO[C@H](C(C)(C)C)C2)C[C@H]1n1cc[nH+]c1 ZINC000328930549 456794258 /nfs/dbraw/zinc/79/42/58/456794258.db2.gz HMTMLEBSJKLKTO-VQHPVUNQSA-N 1 2 348.491 3.274 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3sccc3Cl)CC2)cc1 ZINC000348657047 456802706 /nfs/dbraw/zinc/80/27/06/456802706.db2.gz DQHQLWFNARKXPU-UHFFFAOYSA-N 1 2 345.855 3.231 20 30 EGEDLO COc1ccc2c(c1OC)CC[N@@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC000340991921 456804990 /nfs/dbraw/zinc/80/49/90/456804990.db2.gz GICKQRDMLMQSCT-UHFFFAOYSA-N 1 2 326.371 3.273 20 30 EGEDLO COc1ccc2c(c1OC)CC[N@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC000340991921 456804996 /nfs/dbraw/zinc/80/49/96/456804996.db2.gz GICKQRDMLMQSCT-UHFFFAOYSA-N 1 2 326.371 3.273 20 30 EGEDLO C=CC[N@@H+](CCC#N)CCC(=O)Nc1ccccc1Br ZINC000292080225 456849173 /nfs/dbraw/zinc/84/91/73/456849173.db2.gz DNBUBWASUWTIPH-UHFFFAOYSA-N 1 2 336.233 3.179 20 30 EGEDLO C=CC[N@H+](CCC#N)CCC(=O)Nc1ccccc1Br ZINC000292080225 456849176 /nfs/dbraw/zinc/84/91/76/456849176.db2.gz DNBUBWASUWTIPH-UHFFFAOYSA-N 1 2 336.233 3.179 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291998755 456825064 /nfs/dbraw/zinc/82/50/64/456825064.db2.gz XEMWGOBCHZWKKJ-HNNXBMFYSA-N 1 2 342.468 3.047 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291998755 456825068 /nfs/dbraw/zinc/82/50/68/456825068.db2.gz XEMWGOBCHZWKKJ-HNNXBMFYSA-N 1 2 342.468 3.047 20 30 EGEDLO C=C(C)Cn1c(C2CCC2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000283741945 456832891 /nfs/dbraw/zinc/83/28/91/456832891.db2.gz ZZXWNNYEWIXFAL-UHFFFAOYSA-N 1 2 341.459 3.037 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1scnc1C1CC1)C1CCOCC1 ZINC000329148434 456844448 /nfs/dbraw/zinc/84/44/48/456844448.db2.gz YISKADNBDPNHPV-AWEZNQCLSA-N 1 2 346.456 3.227 20 30 EGEDLO COc1cc(N2CC[NH+](Cc3ccc(F)cc3C#N)CC2)ccc1F ZINC000338637757 456848556 /nfs/dbraw/zinc/84/85/56/456848556.db2.gz PFAGUJYIIMQIOL-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)Nc1nnc(C2CCOCC2)s1 ZINC000329361607 456879394 /nfs/dbraw/zinc/87/93/94/456879394.db2.gz CNJQVBNXUIWMRT-CYBMUJFWSA-N 1 2 338.477 3.283 20 30 EGEDLO CC(C)[N@H+]1CCCC[C@@H]1C(=O)Nc1nnc(C2CCOCC2)s1 ZINC000329361607 456879398 /nfs/dbraw/zinc/87/93/98/456879398.db2.gz CNJQVBNXUIWMRT-CYBMUJFWSA-N 1 2 338.477 3.283 20 30 EGEDLO CC(C)C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000329432874 456889261 /nfs/dbraw/zinc/88/92/61/456889261.db2.gz IUQUIXADXQQDTH-ARFHVFGLSA-N 1 2 334.464 3.097 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CCOCC2(CC2)C1 ZINC000329453434 456893316 /nfs/dbraw/zinc/89/33/16/456893316.db2.gz MKRZBYMYZPFQDN-LBPRGKRZSA-N 1 2 340.370 3.377 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CCOCC2(CC2)C1 ZINC000329453434 456893319 /nfs/dbraw/zinc/89/33/19/456893319.db2.gz MKRZBYMYZPFQDN-LBPRGKRZSA-N 1 2 340.370 3.377 20 30 EGEDLO CC[C@@H]1C[C@H](C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC(=O)N1 ZINC000329463017 456895098 /nfs/dbraw/zinc/89/50/98/456895098.db2.gz TXAAJYNEJUFTSU-LSDHHAIUSA-N 1 2 330.432 3.283 20 30 EGEDLO Cc1csc([C@@H]2CCC[N@@H+](CC(=O)Nc3c(C)nn(C)c3C)C2)n1 ZINC000329477567 456897202 /nfs/dbraw/zinc/89/72/02/456897202.db2.gz BYSQBVVVULKHMI-CQSZACIVSA-N 1 2 347.488 3.269 20 30 EGEDLO Cc1csc([C@@H]2CCC[N@H+](CC(=O)Nc3c(C)nn(C)c3C)C2)n1 ZINC000329477567 456897206 /nfs/dbraw/zinc/89/72/06/456897206.db2.gz BYSQBVVVULKHMI-CQSZACIVSA-N 1 2 347.488 3.269 20 30 EGEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000329544821 456906626 /nfs/dbraw/zinc/90/66/26/456906626.db2.gz GIFIYYFRPLWZIS-RHSMWYFYSA-N 1 2 328.391 3.157 20 30 EGEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000329544821 456906630 /nfs/dbraw/zinc/90/66/30/456906630.db2.gz GIFIYYFRPLWZIS-RHSMWYFYSA-N 1 2 328.391 3.157 20 30 EGEDLO C[C@@H]1C[C@H](c2ccccc2F)N(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329612957 456915943 /nfs/dbraw/zinc/91/59/43/456915943.db2.gz OQSYPNHNABERKP-SNUQEOBHSA-N 1 2 342.418 3.403 20 30 EGEDLO C[C@@H]1C[C@H](c2ccccc2F)N(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329612957 456915947 /nfs/dbraw/zinc/91/59/47/456915947.db2.gz OQSYPNHNABERKP-SNUQEOBHSA-N 1 2 342.418 3.403 20 30 EGEDLO [O-]C(N[C@@H]1CCc2[nH]c[nH+]c2C1)=[NH+][C@H]1CCc2c1cccc2Cl ZINC000329743313 456934777 /nfs/dbraw/zinc/93/47/77/456934777.db2.gz XCZNWPUPPCRAIC-YGRLFVJLSA-N 1 2 330.819 3.112 20 30 EGEDLO [O-]C(N[C@@H]1CCc2[nH+]c[nH]c2C1)=[NH+][C@H]1CCc2c1cccc2Cl ZINC000329743313 456934780 /nfs/dbraw/zinc/93/47/80/456934780.db2.gz XCZNWPUPPCRAIC-YGRLFVJLSA-N 1 2 330.819 3.112 20 30 EGEDLO C[C@H](C#N)C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000345156505 456945760 /nfs/dbraw/zinc/94/57/60/456945760.db2.gz DWLFNSMFIQAJQN-CYBMUJFWSA-N 1 2 348.809 3.254 20 30 EGEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C#N)c1ccc(F)cc1)C2 ZINC000353917935 456965154 /nfs/dbraw/zinc/96/51/54/456965154.db2.gz XWKQTJHBOZMALL-CXAGYDPISA-N 1 2 340.402 3.158 20 30 EGEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C#N)c1ccc(F)cc1)CC2 ZINC000353917935 456965156 /nfs/dbraw/zinc/96/51/56/456965156.db2.gz XWKQTJHBOZMALL-CXAGYDPISA-N 1 2 340.402 3.158 20 30 EGEDLO C[C@@H]1CCN(C(=O)NCCOC2CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000329954863 456966217 /nfs/dbraw/zinc/96/62/17/456966217.db2.gz NZYUNHGATQDQKQ-NVXWUHKLSA-N 1 2 334.464 3.029 20 30 EGEDLO C[C@@H]1CCN(C([O-])=[NH+]CCOC2CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000329954863 456966220 /nfs/dbraw/zinc/96/62/20/456966220.db2.gz NZYUNHGATQDQKQ-NVXWUHKLSA-N 1 2 334.464 3.029 20 30 EGEDLO CCN1CCN(C(=O)Nc2ccc(C)c(Cl)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330015179 456974703 /nfs/dbraw/zinc/97/47/03/456974703.db2.gz BLQXYLBIIATJQC-HNNXBMFYSA-N 1 2 347.850 3.296 20 30 EGEDLO CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000330119652 456987420 /nfs/dbraw/zinc/98/74/20/456987420.db2.gz IKMSXDMZHYZTQD-HZPDHXFCSA-N 1 2 348.491 3.159 20 30 EGEDLO CC(C)(C#N)CC[NH+]1CCN(C(=O)c2cc3occc3s2)CC1 ZINC000345722758 456988800 /nfs/dbraw/zinc/98/88/00/456988800.db2.gz AXBFLJFETIQDKU-UHFFFAOYSA-N 1 2 331.441 3.192 20 30 EGEDLO Cc1c[nH]c(-c2ccccc2NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[nH+]1 ZINC000330177410 456995983 /nfs/dbraw/zinc/99/59/83/456995983.db2.gz KQYYNVBDZUANGQ-HEHGZKQESA-N 1 2 327.384 3.025 20 30 EGEDLO Cc1[nH+]c[nH]c1CNC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000358840342 456998193 /nfs/dbraw/zinc/99/81/93/456998193.db2.gz DUFIVFBMKJYLAN-UHFFFAOYSA-N 1 2 346.390 3.099 20 30 EGEDLO C=CCN(Cc1ccccc1)C(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339242485 457012885 /nfs/dbraw/zinc/01/28/85/457012885.db2.gz MFZMKOAXSJERMN-RBUKOAKNSA-N 1 2 330.472 3.091 20 30 EGEDLO C=CCN(Cc1ccccc1)C(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000339242485 457012891 /nfs/dbraw/zinc/01/28/91/457012891.db2.gz MFZMKOAXSJERMN-RBUKOAKNSA-N 1 2 330.472 3.091 20 30 EGEDLO C=CCOc1cccnc1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000341948551 457020633 /nfs/dbraw/zinc/02/06/33/457020633.db2.gz UTIQJZYAJOHKBK-UHFFFAOYSA-N 1 2 334.379 3.299 20 30 EGEDLO CCc1ccc(NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cc1F ZINC000330282187 457021196 /nfs/dbraw/zinc/02/11/96/457021196.db2.gz ALFHDIDKDTZCKV-RHSMWYFYSA-N 1 2 346.406 3.177 20 30 EGEDLO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2C#N)cc1 ZINC000341960898 457026869 /nfs/dbraw/zinc/02/68/69/457026869.db2.gz FXQQIKLCZPNZGW-CYBMUJFWSA-N 1 2 346.427 3.342 20 30 EGEDLO [O-]C(=[NH+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000330324906 457028358 /nfs/dbraw/zinc/02/83/58/457028358.db2.gz UIXRMHRDUMGSCM-SCTDSRPQSA-N 1 2 336.439 3.089 20 30 EGEDLO Cc1cccc(C)c1NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330350636 457033014 /nfs/dbraw/zinc/03/30/14/457033014.db2.gz LIJDMIPCCWEGAL-GDBMZVCRSA-N 1 2 328.416 3.283 20 30 EGEDLO COCC1(C#N)CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2C)CC1 ZINC000341981017 457039615 /nfs/dbraw/zinc/03/96/15/457039615.db2.gz QKVMMLLRIGRXAS-AWEZNQCLSA-N 1 2 349.862 3.228 20 30 EGEDLO Cc1nc(CC(C)C)sc1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000330527832 457053519 /nfs/dbraw/zinc/05/35/19/457053519.db2.gz QERJJPVSUGYVOB-UHFFFAOYSA-N 1 2 339.505 3.065 20 30 EGEDLO Cc1nc(CC(C)C)sc1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000330527832 457053524 /nfs/dbraw/zinc/05/35/24/457053524.db2.gz QERJJPVSUGYVOB-UHFFFAOYSA-N 1 2 339.505 3.065 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2ccc(Oc3ccccc3)nn2)CC1 ZINC000342005664 457056954 /nfs/dbraw/zinc/05/69/54/457056954.db2.gz ZHRONCSPKJVWPY-UHFFFAOYSA-N 1 2 338.411 3.021 20 30 EGEDLO C[C@H](CC1CCOCC1)C[N@@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000349828726 457069477 /nfs/dbraw/zinc/06/94/77/457069477.db2.gz BQUVEJCKXSAPBR-WIYYLYMNSA-N 1 2 341.499 3.149 20 30 EGEDLO C[C@H](CC1CCOCC1)C[N@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000349828726 457069478 /nfs/dbraw/zinc/06/94/78/457069478.db2.gz BQUVEJCKXSAPBR-WIYYLYMNSA-N 1 2 341.499 3.149 20 30 EGEDLO Cc1cc(C)c2ncc(C#N)c(NCc3ccc(N(C)C)[nH+]c3)c2c1 ZINC000359693825 457117127 /nfs/dbraw/zinc/11/71/27/457117127.db2.gz QJNSDYKTKWTOJG-UHFFFAOYSA-N 1 2 331.423 3.218 20 30 EGEDLO N#CCc1ccc(Oc2ccc(C(=O)NCCn3cc[nH+]c3)cc2)cc1 ZINC000346735839 457138153 /nfs/dbraw/zinc/13/81/53/457138153.db2.gz STMNSSNVKSCRCK-UHFFFAOYSA-N 1 2 346.390 3.171 20 30 EGEDLO Cn1c[nH+]cc1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000350003266 457139353 /nfs/dbraw/zinc/13/93/53/457139353.db2.gz BHIGUCUCYUUULD-UHFFFAOYSA-N 1 2 347.378 3.406 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1OC ZINC000354730102 457317054 /nfs/dbraw/zinc/31/70/54/457317054.db2.gz ZFKUGGAQKJGBLM-WOJBJXKFSA-N 1 2 329.440 3.403 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1OC ZINC000354730102 457317059 /nfs/dbraw/zinc/31/70/59/457317059.db2.gz ZFKUGGAQKJGBLM-WOJBJXKFSA-N 1 2 329.440 3.403 20 30 EGEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000360617400 457321780 /nfs/dbraw/zinc/32/17/80/457321780.db2.gz FPRHELODMWEPRO-UHFFFAOYSA-N 1 2 342.389 3.406 20 30 EGEDLO C=CCn1c(SCc2c[nH+]cn2C)nc2cc(Cl)ccc2c1=O ZINC000360708395 457326618 /nfs/dbraw/zinc/32/66/18/457326618.db2.gz TTXKGGOAWUUKRT-UHFFFAOYSA-N 1 2 346.843 3.262 20 30 EGEDLO Cc1ncsc1C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000352365964 457358049 /nfs/dbraw/zinc/35/80/49/457358049.db2.gz ZNGWXAKTINWFOC-INIZCTEOSA-N 1 2 346.887 3.487 20 30 EGEDLO N#Cc1ccnc(N2CC[NH+](Cc3cccc(F)c3)CC2)c1Cl ZINC000342553737 457363963 /nfs/dbraw/zinc/36/39/63/457363963.db2.gz XJAOFPHNLAKFJA-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO CC[N@@H+](CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)C[C@H](C)C#N ZINC000355438961 457374668 /nfs/dbraw/zinc/37/46/68/457374668.db2.gz XOMIBHNSXFUWTI-IAGOWNOFSA-N 1 2 327.472 3.295 20 30 EGEDLO CC[N@H+](CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)C[C@H](C)C#N ZINC000355438961 457374673 /nfs/dbraw/zinc/37/46/73/457374673.db2.gz XOMIBHNSXFUWTI-IAGOWNOFSA-N 1 2 327.472 3.295 20 30 EGEDLO Cc1cccn2cc(CNC(=O)C[C@@H](CC#N)c3ccccc3)[nH+]c12 ZINC000355809705 457419612 /nfs/dbraw/zinc/41/96/12/457419612.db2.gz IJSDQQOPPLSSMK-QGZVFWFLSA-N 1 2 332.407 3.347 20 30 EGEDLO COc1cc(C[NH2+][C@@H](C)c2nc(Cc3ccccc3)no2)ccc1C#N ZINC000357301118 457430511 /nfs/dbraw/zinc/43/05/11/457430511.db2.gz PVMFDGDIFLWAEK-AWEZNQCLSA-N 1 2 348.406 3.391 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nc(C4CC4)cs3)CC2)cc1 ZINC000342686574 457456118 /nfs/dbraw/zinc/45/61/18/457456118.db2.gz AOFGYVSCZKZJGK-UHFFFAOYSA-N 1 2 338.480 3.210 20 30 EGEDLO COc1ccccc1[C@H](CNc1cc(C)[nH+]cc1C#N)OC(C)C ZINC000425237509 457468117 /nfs/dbraw/zinc/46/81/17/457468117.db2.gz HJMUYOPRYIUEJN-IBGZPJMESA-N 1 2 325.412 3.270 20 30 EGEDLO Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCC[N@@H+]1CCCCC#N ZINC000364070855 457478460 /nfs/dbraw/zinc/47/84/60/457478460.db2.gz KFGNJYPDIRZARU-CQSZACIVSA-N 1 2 344.381 3.129 20 30 EGEDLO Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCC[N@H+]1CCCCC#N ZINC000364070855 457478468 /nfs/dbraw/zinc/47/84/68/457478468.db2.gz KFGNJYPDIRZARU-CQSZACIVSA-N 1 2 344.381 3.129 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[N@H+](Cc3cccnc3)C3CC3)o2)c1 ZINC000357390580 457489621 /nfs/dbraw/zinc/48/96/21/457489621.db2.gz NZHIATATDGKUPE-UHFFFAOYSA-N 1 2 331.379 3.168 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[N@@H+](Cc3cccnc3)C3CC3)o2)c1 ZINC000357390580 457489631 /nfs/dbraw/zinc/48/96/31/457489631.db2.gz NZHIATATDGKUPE-UHFFFAOYSA-N 1 2 331.379 3.168 20 30 EGEDLO CCC(CC)CN(CCC#N)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000352638488 457496405 /nfs/dbraw/zinc/49/64/05/457496405.db2.gz UYCHZWHICLQTEN-FUHWJXTLSA-N 1 2 342.487 3.332 20 30 EGEDLO CCO[C@@H](C)c1noc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000374312960 457580290 /nfs/dbraw/zinc/58/02/90/457580290.db2.gz SRTXKVJUWPCGQA-AWEZNQCLSA-N 1 2 338.411 3.328 20 30 EGEDLO CCO[C@@H](C)c1noc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000374312960 457580294 /nfs/dbraw/zinc/58/02/94/457580294.db2.gz SRTXKVJUWPCGQA-AWEZNQCLSA-N 1 2 338.411 3.328 20 30 EGEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000361139093 457608852 /nfs/dbraw/zinc/60/88/52/457608852.db2.gz FTBSCZJTAZFYHQ-QAPCUYQASA-N 1 2 330.428 3.143 20 30 EGEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000361139093 457608857 /nfs/dbraw/zinc/60/88/57/457608857.db2.gz FTBSCZJTAZFYHQ-QAPCUYQASA-N 1 2 330.428 3.143 20 30 EGEDLO C=C(C)[C@H]1OCC[C@H]1CNc1cc(COC)[nH+]c2ccc(F)cc12 ZINC000357677794 457652307 /nfs/dbraw/zinc/65/23/07/457652307.db2.gz AOWQNSWXEGIDDL-ORAYPTAESA-N 1 2 330.403 3.335 20 30 EGEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cccc(SCC#N)c2)C1 ZINC000365524561 457764764 /nfs/dbraw/zinc/76/47/64/457764764.db2.gz UILCHNHCJJRLNB-HNNXBMFYSA-N 1 2 340.452 3.056 20 30 EGEDLO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+](C)CC(C)(C)C#N ZINC000433305717 457805655 /nfs/dbraw/zinc/80/56/55/457805655.db2.gz QRSWBXXKNITTMX-ZDUSSCGKSA-N 1 2 344.484 3.125 20 30 EGEDLO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+](C)CC(C)(C)C#N ZINC000433305717 457805663 /nfs/dbraw/zinc/80/56/63/457805663.db2.gz QRSWBXXKNITTMX-ZDUSSCGKSA-N 1 2 344.484 3.125 20 30 EGEDLO C=CC[N@@H+](CCOC)Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000361641855 457813236 /nfs/dbraw/zinc/81/32/36/457813236.db2.gz DREUGWNLHMSHOM-UHFFFAOYSA-N 1 2 341.242 3.209 20 30 EGEDLO C=CC[N@H+](CCOC)Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000361641855 457813240 /nfs/dbraw/zinc/81/32/40/457813240.db2.gz DREUGWNLHMSHOM-UHFFFAOYSA-N 1 2 341.242 3.209 20 30 EGEDLO COCC[N@H+](Cc1csc(C(=O)OC)c1)Cc1ccc(C#N)cc1 ZINC000411209748 457830902 /nfs/dbraw/zinc/83/09/02/457830902.db2.gz UAYVUMWHHDTDML-UHFFFAOYSA-N 1 2 344.436 3.055 20 30 EGEDLO COCC[N@@H+](Cc1csc(C(=O)OC)c1)Cc1ccc(C#N)cc1 ZINC000411209748 457830906 /nfs/dbraw/zinc/83/09/06/457830906.db2.gz UAYVUMWHHDTDML-UHFFFAOYSA-N 1 2 344.436 3.055 20 30 EGEDLO C=CC[N@H+](Cc1cc(Br)ccc1F)[C@@H](C)C(=O)N(C)C ZINC000411222071 457834247 /nfs/dbraw/zinc/83/42/47/457834247.db2.gz NFJXSGNGRBCZMX-NSHDSACASA-N 1 2 343.240 3.053 20 30 EGEDLO C=CC[N@@H+](Cc1cc(Br)ccc1F)[C@@H](C)C(=O)N(C)C ZINC000411222071 457834251 /nfs/dbraw/zinc/83/42/51/457834251.db2.gz NFJXSGNGRBCZMX-NSHDSACASA-N 1 2 343.240 3.053 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000361849587 457907028 /nfs/dbraw/zinc/90/70/28/457907028.db2.gz NKUKHDUSHMEBJZ-ACJLOTCBSA-N 1 2 333.863 3.141 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000361849587 457907033 /nfs/dbraw/zinc/90/70/33/457907033.db2.gz NKUKHDUSHMEBJZ-ACJLOTCBSA-N 1 2 333.863 3.141 20 30 EGEDLO COc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000371415010 457918281 /nfs/dbraw/zinc/91/82/81/457918281.db2.gz ODNIGDDPZUHATP-HXUWFJFHSA-N 1 2 333.391 3.012 20 30 EGEDLO COc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000371415010 457918289 /nfs/dbraw/zinc/91/82/89/457918289.db2.gz ODNIGDDPZUHATP-HXUWFJFHSA-N 1 2 333.391 3.012 20 30 EGEDLO COc1c(C)cnc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1C ZINC000367068798 457925743 /nfs/dbraw/zinc/92/57/43/457925743.db2.gz ZGDNIPKRTQXXHK-UHFFFAOYSA-N 1 2 336.439 3.159 20 30 EGEDLO CCN1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1=O ZINC000444688707 457939773 /nfs/dbraw/zinc/93/97/73/457939773.db2.gz KGXCQBGDWKQFMT-UHFFFAOYSA-N 1 2 347.462 3.050 20 30 EGEDLO CCN1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1=O ZINC000444688707 457939780 /nfs/dbraw/zinc/93/97/80/457939780.db2.gz KGXCQBGDWKQFMT-UHFFFAOYSA-N 1 2 347.462 3.050 20 30 EGEDLO N#Cc1ccccc1Sc1ccc(C(=O)Nc2cc[nH+]cc2O)cc1 ZINC000358334747 457940566 /nfs/dbraw/zinc/94/05/66/457940566.db2.gz HFVUQIPYZHDYFK-UHFFFAOYSA-N 1 2 347.399 3.484 20 30 EGEDLO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1 ZINC000371782492 458070739 /nfs/dbraw/zinc/07/07/39/458070739.db2.gz XZLQEBVYELUEIF-NEWSRXKRSA-N 1 2 325.456 3.017 20 30 EGEDLO C[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1 ZINC000371782492 458070748 /nfs/dbraw/zinc/07/07/48/458070748.db2.gz XZLQEBVYELUEIF-NEWSRXKRSA-N 1 2 325.456 3.017 20 30 EGEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000435032879 458080467 /nfs/dbraw/zinc/08/04/67/458080467.db2.gz IMLWQLGBTMEIFH-MRXNPFEDSA-N 1 2 326.396 3.064 20 30 EGEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000435032879 458080477 /nfs/dbraw/zinc/08/04/77/458080477.db2.gz IMLWQLGBTMEIFH-MRXNPFEDSA-N 1 2 326.396 3.064 20 30 EGEDLO CCC[C@@]1(C)C(=O)NCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000445898313 458114368 /nfs/dbraw/zinc/11/43/68/458114368.db2.gz QQPNQZGWZNIADX-KRWDZBQOSA-N 1 2 338.373 3.048 20 30 EGEDLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000445898313 458114375 /nfs/dbraw/zinc/11/43/75/458114375.db2.gz QQPNQZGWZNIADX-KRWDZBQOSA-N 1 2 338.373 3.048 20 30 EGEDLO N#C[C@@H]1N(Cc2ccc(-n3cc[nH+]c3)cc2)CCC[C@]12CCCCO2 ZINC000369306030 458165706 /nfs/dbraw/zinc/16/57/06/458165706.db2.gz NQNWNZZEKQWPKK-VQTJNVASSA-N 1 2 336.439 3.300 20 30 EGEDLO C=CCC(C)(C)CNC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000458815635 458182668 /nfs/dbraw/zinc/18/26/68/458182668.db2.gz YQPQHSPEBZZTDZ-UHFFFAOYSA-N 1 2 345.487 3.125 20 30 EGEDLO CC(C)(CC#N)CNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000458881611 458203737 /nfs/dbraw/zinc/20/37/37/458203737.db2.gz LFQQFVYLYBKGLP-UHFFFAOYSA-N 1 2 345.834 3.265 20 30 EGEDLO C[N@H+](CC#Cc1cccc(Cl)c1)CC(=O)Nc1cccc(F)c1 ZINC000446764532 458226417 /nfs/dbraw/zinc/22/64/17/458226417.db2.gz IQESEADRKRJFJY-UHFFFAOYSA-N 1 2 330.790 3.401 20 30 EGEDLO C[N@@H+](CC#Cc1cccc(Cl)c1)CC(=O)Nc1cccc(F)c1 ZINC000446764532 458226422 /nfs/dbraw/zinc/22/64/22/458226422.db2.gz IQESEADRKRJFJY-UHFFFAOYSA-N 1 2 330.790 3.401 20 30 EGEDLO C[C@@H]1C[N@H+](CCSc2nc(-c3ccccc3)ccc2C#N)CCO1 ZINC000412992391 458289810 /nfs/dbraw/zinc/28/98/10/458289810.db2.gz KWWWFCSKUJGODE-OAHLLOKOSA-N 1 2 339.464 3.433 20 30 EGEDLO C[C@@H]1C[N@@H+](CCSc2nc(-c3ccccc3)ccc2C#N)CCO1 ZINC000412992391 458289816 /nfs/dbraw/zinc/28/98/16/458289816.db2.gz KWWWFCSKUJGODE-OAHLLOKOSA-N 1 2 339.464 3.433 20 30 EGEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)CSCCC#N)CC2)cc1 ZINC000413013504 458291226 /nfs/dbraw/zinc/29/12/26/458291226.db2.gz OHHQSNFZQLMLGK-UHFFFAOYSA-N 1 2 345.512 3.101 20 30 EGEDLO CC(C)c1noc([C@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)n1 ZINC000376594337 458348531 /nfs/dbraw/zinc/34/85/31/458348531.db2.gz DIBZKBAOJQGVRT-AWEZNQCLSA-N 1 2 325.416 3.206 20 30 EGEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(c2ccc(Cl)cc2C#N)C1 ZINC000418940541 458377556 /nfs/dbraw/zinc/37/75/56/458377556.db2.gz GXISNVVUECOIHL-GOSISDBHSA-N 1 2 349.862 3.112 20 30 EGEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@]3(C#N)C[C@H]3C)CC2)cc1 ZINC000448576686 458401976 /nfs/dbraw/zinc/40/19/76/458401976.db2.gz CYTYSBQYOZXIQF-UZLBHIALSA-N 1 2 325.456 3.004 20 30 EGEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@]2(C#N)C[C@@H]2C)CC1 ZINC000448647901 458404094 /nfs/dbraw/zinc/40/40/94/458404094.db2.gz ADIHLYKKLQBZOK-IYOUNJFTSA-N 1 2 331.847 3.095 20 30 EGEDLO COc1ccc(C[NH2+]Cc2nn(C)cc2Cl)cc1OCCCC#N ZINC000449477715 458424593 /nfs/dbraw/zinc/42/45/93/458424593.db2.gz ITSBGUKIDYRNES-UHFFFAOYSA-N 1 2 348.834 3.054 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000449967565 458436455 /nfs/dbraw/zinc/43/64/55/458436455.db2.gz VIIKYBIIVAELDF-OLMNPRSZSA-N 1 2 348.874 3.136 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)CCc1ccc(C#N)cc1 ZINC000377225962 458492370 /nfs/dbraw/zinc/49/23/70/458492370.db2.gz YLLDSCJIDUYIJG-SFHVURJKSA-N 1 2 336.439 3.461 20 30 EGEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(Br)s2)nn1 ZINC000424173389 458577813 /nfs/dbraw/zinc/57/78/13/458577813.db2.gz PQPWIWVQVIPJET-VIFPVBQESA-N 1 2 327.251 3.139 20 30 EGEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)nn1 ZINC000424298087 458607377 /nfs/dbraw/zinc/60/73/77/458607377.db2.gz RYTIGZDRDSHKAQ-JTQLQIEISA-N 1 2 326.322 3.055 20 30 EGEDLO C=CC[NH+](CC=C)[C@H](CNc1nc(C(F)(F)F)ns1)C(C)C ZINC000470045116 458609205 /nfs/dbraw/zinc/60/92/05/458609205.db2.gz KCNWQCRKAVEPEO-LLVKDONJSA-N 1 2 334.411 3.089 20 30 EGEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000462448901 458621596 /nfs/dbraw/zinc/62/15/96/458621596.db2.gz UGCZEPHGDQYGTM-UHFFFAOYSA-N 1 2 333.435 3.337 20 30 EGEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000462448901 458621600 /nfs/dbraw/zinc/62/16/00/458621600.db2.gz UGCZEPHGDQYGTM-UHFFFAOYSA-N 1 2 333.435 3.337 20 30 EGEDLO Cc1cc(C#N)cc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000456015232 458628245 /nfs/dbraw/zinc/62/82/45/458628245.db2.gz YSNRWGGAXZJMIE-OAHLLOKOSA-N 1 2 337.427 3.087 20 30 EGEDLO C[C@@H](CNC(=O)c1ccc(C#Cc2ccccc2)cc1)Cn1cc[nH+]c1 ZINC000530608874 458799176 /nfs/dbraw/zinc/79/91/76/458799176.db2.gz LPDJPKUKKSWDOL-SFHVURJKSA-N 1 2 343.430 3.349 20 30 EGEDLO CC[C@H](CC#N)[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000515864452 458812830 /nfs/dbraw/zinc/81/28/30/458812830.db2.gz DBJPTLZCMHKSLX-OCCSQVGLSA-N 1 2 325.334 3.093 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC(C)(C)CCC#N)c1ccccc1 ZINC000516753793 458820784 /nfs/dbraw/zinc/82/07/84/458820784.db2.gz DYGMJZNLDQKFDR-MRXNPFEDSA-N 1 2 339.443 3.139 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000440718694 458845560 /nfs/dbraw/zinc/84/55/60/458845560.db2.gz SHABTNLLJJCDPD-KGLIPLIRSA-N 1 2 340.452 3.336 20 30 EGEDLO CC(C)(C)C1CC(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000457400154 458944386 /nfs/dbraw/zinc/94/43/86/458944386.db2.gz YWGQIBZALXUROI-UHFFFAOYSA-N 1 2 339.483 3.275 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[N@H+](CCC#N)Cc2ccco2)C1 ZINC000495959475 459019171 /nfs/dbraw/zinc/01/91/71/459019171.db2.gz BNIQTQYHKOKGMJ-KXBFYZLASA-N 1 2 345.443 3.252 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[N@@H+](CCC#N)Cc2ccco2)C1 ZINC000495959475 459019177 /nfs/dbraw/zinc/01/91/77/459019177.db2.gz BNIQTQYHKOKGMJ-KXBFYZLASA-N 1 2 345.443 3.252 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(CC#N)cc2Cl)c2[nH+]ccn21 ZINC000577344346 459019630 /nfs/dbraw/zinc/01/96/30/459019630.db2.gz WTCNUALXAPFQMR-QMTHXVAHSA-N 1 2 329.791 3.430 20 30 EGEDLO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)Cc1nc(C#N)cs1 ZINC000496118239 459073738 /nfs/dbraw/zinc/07/37/38/459073738.db2.gz IIVRESYJQWBNLV-LBPRGKRZSA-N 1 2 342.424 3.164 20 30 EGEDLO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000496118239 459073745 /nfs/dbraw/zinc/07/37/45/459073745.db2.gz IIVRESYJQWBNLV-LBPRGKRZSA-N 1 2 342.424 3.164 20 30 EGEDLO CC(C)(C#N)CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000478969313 459116039 /nfs/dbraw/zinc/11/60/39/459116039.db2.gz WLGSBTIOSPOSDS-UHFFFAOYSA-N 1 2 335.411 3.273 20 30 EGEDLO C=CCCCCS[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000567573255 459126843 /nfs/dbraw/zinc/12/68/43/459126843.db2.gz HZYXQGLCNHHCEU-MRXNPFEDSA-N 1 2 333.501 3.208 20 30 EGEDLO Cc1cccn2cc(Cc3noc(Cc4c(F)cccc4C#N)n3)[nH+]c12 ZINC000558316610 459146398 /nfs/dbraw/zinc/14/63/98/459146398.db2.gz QQSJKTFWNZOKOP-UHFFFAOYSA-N 1 2 347.353 3.218 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000558867140 459217831 /nfs/dbraw/zinc/21/78/31/459217831.db2.gz UHGXDYLEXSZVRT-HNAYVOBHSA-N 1 2 334.410 3.285 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000558867140 459217835 /nfs/dbraw/zinc/21/78/35/459217835.db2.gz UHGXDYLEXSZVRT-HNAYVOBHSA-N 1 2 334.410 3.285 20 30 EGEDLO CC#CC[N@H+](C)CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1 ZINC000559468019 459262104 /nfs/dbraw/zinc/26/21/04/459262104.db2.gz WEWZAYOHKLSXHA-IBGZPJMESA-N 1 2 349.434 3.221 20 30 EGEDLO CC#CC[N@@H+](C)CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1 ZINC000559468019 459262107 /nfs/dbraw/zinc/26/21/07/459262107.db2.gz WEWZAYOHKLSXHA-IBGZPJMESA-N 1 2 349.434 3.221 20 30 EGEDLO N#Cc1c(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)cn2ccccc12 ZINC000523440456 459304425 /nfs/dbraw/zinc/30/44/25/459304425.db2.gz KVDSJDGAEZLUON-AWEZNQCLSA-N 1 2 337.345 3.354 20 30 EGEDLO N#Cc1c(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)cn2ccccc12 ZINC000523440456 459304431 /nfs/dbraw/zinc/30/44/31/459304431.db2.gz KVDSJDGAEZLUON-AWEZNQCLSA-N 1 2 337.345 3.354 20 30 EGEDLO CC(C)(C)OC(=O)NCC[C@@H]([NH2+]Cc1ccc(C#N)cc1)C(F)F ZINC000496833610 459340357 /nfs/dbraw/zinc/34/03/57/459340357.db2.gz BYPJECINTQWXKQ-CQSZACIVSA-N 1 2 339.386 3.196 20 30 EGEDLO COc1ccc(CNc2[nH+]cccc2OC)cc1OCCCC#N ZINC000538463928 459372480 /nfs/dbraw/zinc/37/24/80/459372480.db2.gz MIOSUKAWXUJRER-UHFFFAOYSA-N 1 2 327.384 3.393 20 30 EGEDLO C[C@H](CO)[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000595671405 459390765 /nfs/dbraw/zinc/39/07/65/459390765.db2.gz FVVUHVLRJKHMGX-MLGOLLRUSA-N 1 2 337.261 3.304 20 30 EGEDLO C[C@H](CO)[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000595671405 459390768 /nfs/dbraw/zinc/39/07/68/459390768.db2.gz FVVUHVLRJKHMGX-MLGOLLRUSA-N 1 2 337.261 3.304 20 30 EGEDLO COC(=O)CC[N@H+](CC#Cc1ccccc1)Cc1cccc(F)c1F ZINC000483967615 459398317 /nfs/dbraw/zinc/39/83/17/459398317.db2.gz WFOZXBXEIHTEBN-UHFFFAOYSA-N 1 2 343.373 3.382 20 30 EGEDLO COC(=O)CC[N@@H+](CC#Cc1ccccc1)Cc1cccc(F)c1F ZINC000483967615 459398323 /nfs/dbraw/zinc/39/83/23/459398323.db2.gz WFOZXBXEIHTEBN-UHFFFAOYSA-N 1 2 343.373 3.382 20 30 EGEDLO C[C@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000582730182 459418921 /nfs/dbraw/zinc/41/89/21/459418921.db2.gz KFRWMSZQDYZPSV-MLGOLLRUSA-N 1 2 341.377 3.159 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](c2ccc(CC)cc2)C1 ZINC000484574988 459420146 /nfs/dbraw/zinc/42/01/46/459420146.db2.gz YAOFHOLXGUDNRO-YLJYHZDGSA-N 1 2 342.483 3.211 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](c2ccc(CC)cc2)C1 ZINC000484574988 459420154 /nfs/dbraw/zinc/42/01/54/459420154.db2.gz YAOFHOLXGUDNRO-YLJYHZDGSA-N 1 2 342.483 3.211 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](CC(=O)Nc1ccc(CC#N)cc1)C(F)(F)F ZINC000561109126 459420902 /nfs/dbraw/zinc/42/09/02/459420902.db2.gz SDLFMMJGGRFFQC-CYBMUJFWSA-N 1 2 336.317 3.161 20 30 EGEDLO CC(C)(C#N)[NH+]1CCC([C@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 ZINC000497073891 459428335 /nfs/dbraw/zinc/42/83/35/459428335.db2.gz QSKNAQUORONYJD-MSOLQXFVSA-N 1 2 341.455 3.315 20 30 EGEDLO CC(=O)N1CCCCC[C@@H]1C1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000591819970 459447774 /nfs/dbraw/zinc/44/77/74/459447774.db2.gz ZVVFMEOLBAPNDZ-LJQANCHMSA-N 1 2 340.471 3.269 20 30 EGEDLO CC[C@H]([NH2+]Cc1cc(C#N)ccc1OC)c1nnc2n1CCCCC2 ZINC000595801982 459447841 /nfs/dbraw/zinc/44/78/41/459447841.db2.gz XWNDQXPEZIMRQF-INIZCTEOSA-N 1 2 339.443 3.126 20 30 EGEDLO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)n1cc[nH+]c1 ZINC000569698751 459495700 /nfs/dbraw/zinc/49/57/00/459495700.db2.gz VJDWMVQXEHYEJF-SNVBAGLBSA-N 1 2 338.289 3.243 20 30 EGEDLO Cc1nc(N2CC[NH+](Cc3c(F)cccc3Cl)CC2)ccc1C#N ZINC000487943232 459536008 /nfs/dbraw/zinc/53/60/08/459536008.db2.gz RBLDFXDCXNCJLD-UHFFFAOYSA-N 1 2 344.821 3.376 20 30 EGEDLO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592151979 459537240 /nfs/dbraw/zinc/53/72/40/459537240.db2.gz SNTWECUPQDDQBF-SJKOYZFVSA-N 1 2 331.803 3.406 20 30 EGEDLO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592151979 459537247 /nfs/dbraw/zinc/53/72/47/459537247.db2.gz SNTWECUPQDDQBF-SJKOYZFVSA-N 1 2 331.803 3.406 20 30 EGEDLO C=CCn1cccc1C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000488752982 459550798 /nfs/dbraw/zinc/55/07/98/459550798.db2.gz PUGNXENKSOYSQB-UHFFFAOYSA-N 1 2 348.450 3.433 20 30 EGEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000489508906 459566986 /nfs/dbraw/zinc/56/69/86/459566986.db2.gz KCWCNUMTKYTDRY-ZDUSSCGKSA-N 1 2 330.350 3.211 20 30 EGEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000489508906 459566991 /nfs/dbraw/zinc/56/69/91/459566991.db2.gz KCWCNUMTKYTDRY-ZDUSSCGKSA-N 1 2 330.350 3.211 20 30 EGEDLO Cn1c2ccc(CNc3nc(C#N)c(Cl)s3)cc2[nH+]c1C1CC1 ZINC000596268921 459580253 /nfs/dbraw/zinc/58/02/53/459580253.db2.gz NSWCNAFWJXTKIA-UHFFFAOYSA-N 1 2 343.843 3.466 20 30 EGEDLO CC[C@H](CC#N)[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000572659642 459582614 /nfs/dbraw/zinc/58/26/14/459582614.db2.gz LOFABRUZERSMSN-QMTHXVAHSA-N 1 2 326.227 3.381 20 30 EGEDLO N#CCOc1ccc(/C=C\C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000490825390 459587227 /nfs/dbraw/zinc/58/72/27/459587227.db2.gz YGWLEHDHSZPHFW-KMKOMSMNSA-N 1 2 344.374 3.427 20 30 EGEDLO Cc1c[nH+]c(N2CCC[C@@H](CC#N)C2)nc1N1CCC[C@H](CC#N)C1 ZINC000596330597 459598043 /nfs/dbraw/zinc/59/80/43/459598043.db2.gz UIQSTQVMSHZELX-SJORKVTESA-N 1 2 338.459 3.045 20 30 EGEDLO COc1ccc(C#N)cc1NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000491503484 459631949 /nfs/dbraw/zinc/63/19/49/459631949.db2.gz CULFOYCFAOMTDU-UITAMQMPSA-N 1 2 344.374 3.404 20 30 EGEDLO C#C[C@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1ccc(Cl)cc1F ZINC000491624773 459641225 /nfs/dbraw/zinc/64/12/25/459641225.db2.gz HLOLCBWRBZLQFY-INIZCTEOSA-N 1 2 348.809 3.082 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@H]2CCc3c2cccc3Cl)n1 ZINC000491642246 459645729 /nfs/dbraw/zinc/64/57/29/459645729.db2.gz ANDRVIAZRFQASK-IBGZPJMESA-N 1 2 343.858 3.306 20 30 EGEDLO C#CCn1ccc(C[N@H+](CCOC)[C@H]2CCc3c2cccc3Cl)n1 ZINC000491642246 459645733 /nfs/dbraw/zinc/64/57/33/459645733.db2.gz ANDRVIAZRFQASK-IBGZPJMESA-N 1 2 343.858 3.306 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1c(Br)cnn1C)c1ccc(Cl)cc1 ZINC000491651558 459646988 /nfs/dbraw/zinc/64/69/88/459646988.db2.gz HSDFVEXERFWLPE-CYBMUJFWSA-N 1 2 338.636 3.300 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1ccnn1CCCOC)c1ccc(Cl)cc1F ZINC000491689174 459653233 /nfs/dbraw/zinc/65/32/33/459653233.db2.gz HAVNLDOPHRLDMB-QGZVFWFLSA-N 1 2 335.810 3.176 20 30 EGEDLO CCc1[nH+]c2ccccc2n1C1CCN(c2nccc(C#N)n2)CC1 ZINC000573294381 459654699 /nfs/dbraw/zinc/65/46/99/459654699.db2.gz JXEMLXHXNLVHHH-UHFFFAOYSA-N 1 2 332.411 3.102 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(C)ccc2OC(F)F)n1 ZINC000491703583 459657262 /nfs/dbraw/zinc/65/72/62/459657262.db2.gz ZFDIADNCLPRVAO-UHFFFAOYSA-N 1 2 333.382 3.448 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(C)ccc2OC(F)F)n1 ZINC000491703583 459657266 /nfs/dbraw/zinc/65/72/66/459657266.db2.gz ZFDIADNCLPRVAO-UHFFFAOYSA-N 1 2 333.382 3.448 20 30 EGEDLO N#CC1(Cc2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)CCCCC1 ZINC000596592617 459688706 /nfs/dbraw/zinc/68/87/06/459688706.db2.gz YYDAWHCRKHZRKX-LSDHHAIUSA-N 1 2 330.432 3.012 20 30 EGEDLO N#CC1(Cc2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)CCCCC1 ZINC000596592617 459688712 /nfs/dbraw/zinc/68/87/12/459688712.db2.gz YYDAWHCRKHZRKX-LSDHHAIUSA-N 1 2 330.432 3.012 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCC4(CC4)C3)CC2)cc1 ZINC000596659336 459718265 /nfs/dbraw/zinc/71/82/65/459718265.db2.gz WFANJEYRFJSURY-IBGZPJMESA-N 1 2 337.467 3.173 20 30 EGEDLO CC1(C)CCCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)[C@H]1C#N ZINC000573943545 459761464 /nfs/dbraw/zinc/76/14/64/459761464.db2.gz HKULMDRCGAQMEL-SJORKVTESA-N 1 2 336.439 3.472 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000564321759 459772789 /nfs/dbraw/zinc/77/27/89/459772789.db2.gz MRTZCONJRCUFKM-UHFFFAOYSA-N 1 2 341.377 3.351 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CC1CCC(c2ccccc2)CC1 ZINC000593154231 459790753 /nfs/dbraw/zinc/79/07/53/459790753.db2.gz AAIMLOGOHIGLND-OUNSHVDWSA-N 1 2 327.472 3.311 20 30 EGEDLO C=CC[N@@H+](Cc1cc(C(=O)OC)no1)Cc1ccc(Cl)s1 ZINC000602431978 459935947 /nfs/dbraw/zinc/93/59/47/459935947.db2.gz HFLQKNHEWSAIOT-UHFFFAOYSA-N 1 2 326.805 3.364 20 30 EGEDLO C=CC[N@H+](Cc1cc(C(=O)OC)no1)Cc1ccc(Cl)s1 ZINC000602431978 459935951 /nfs/dbraw/zinc/93/59/51/459935951.db2.gz HFLQKNHEWSAIOT-UHFFFAOYSA-N 1 2 326.805 3.364 20 30 EGEDLO CC[C@@H](C#N)C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000593677942 459947768 /nfs/dbraw/zinc/94/77/68/459947768.db2.gz JHJZZIWJUHQLNF-HNNXBMFYSA-N 1 2 330.819 3.115 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc2c(cn1)OCCO2 ZINC000602482275 459959589 /nfs/dbraw/zinc/95/95/89/459959589.db2.gz IIPCVXZRUFPLRF-ZWKOTPCHSA-N 1 2 335.407 3.125 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc2c(cn1)OCCO2 ZINC000602482275 459959595 /nfs/dbraw/zinc/95/95/95/459959595.db2.gz IIPCVXZRUFPLRF-ZWKOTPCHSA-N 1 2 335.407 3.125 20 30 EGEDLO C[C@H](CCC#N)C[N@H+](C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000602484105 459961574 /nfs/dbraw/zinc/96/15/74/459961574.db2.gz HKLUEGBXQGFRMJ-RISCZKNCSA-N 1 2 326.849 3.040 20 30 EGEDLO C[C@H](CCC#N)C[N@@H+](C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000602484105 459961581 /nfs/dbraw/zinc/96/15/81/459961581.db2.gz HKLUEGBXQGFRMJ-RISCZKNCSA-N 1 2 326.849 3.040 20 30 EGEDLO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598608025 459962349 /nfs/dbraw/zinc/96/23/49/459962349.db2.gz PXLPZNYWPPLFLX-XYPHTWIQSA-N 1 2 336.863 3.403 20 30 EGEDLO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598608025 459962355 /nfs/dbraw/zinc/96/23/55/459962355.db2.gz PXLPZNYWPPLFLX-XYPHTWIQSA-N 1 2 336.863 3.403 20 30 EGEDLO Cc1cc(N2CCOCC2)ccc1[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602493029 459966324 /nfs/dbraw/zinc/96/63/24/459966324.db2.gz HUIGRSRFGAEHAR-KRWDZBQOSA-N 1 2 343.471 3.343 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000609800401 460021862 /nfs/dbraw/zinc/02/18/62/460021862.db2.gz FNAXSUITHHLKHJ-GOSISDBHSA-N 1 2 337.448 3.287 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000609800401 460021866 /nfs/dbraw/zinc/02/18/66/460021866.db2.gz FNAXSUITHHLKHJ-GOSISDBHSA-N 1 2 337.448 3.287 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](OC3CCC3)C2)c(C#N)c1C ZINC000594026902 460062029 /nfs/dbraw/zinc/06/20/29/460062029.db2.gz PRDVIMBRZFHNCQ-XJKSGUPXSA-N 1 2 345.443 3.129 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](OC3CCC3)C2)c(C#N)c1C ZINC000594026902 460062037 /nfs/dbraw/zinc/06/20/37/460062037.db2.gz PRDVIMBRZFHNCQ-XJKSGUPXSA-N 1 2 345.443 3.129 20 30 EGEDLO N#Cc1cccc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)n1 ZINC000589455693 460089197 /nfs/dbraw/zinc/08/91/97/460089197.db2.gz JXUORDCNBBIYPF-UHFFFAOYSA-N 1 2 341.374 3.121 20 30 EGEDLO Cc1ccn2cc(CNc3c(C#N)cnc4c(F)ccc(F)c43)[nH+]c2c1 ZINC000610275813 460102757 /nfs/dbraw/zinc/10/27/57/460102757.db2.gz ZCZXIUGSWPATML-UHFFFAOYSA-N 1 2 349.344 3.375 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000610346334 460126573 /nfs/dbraw/zinc/12/65/73/460126573.db2.gz AFFSTLZTHHVGCH-AWEZNQCLSA-N 1 2 347.422 3.277 20 30 EGEDLO C[C@H](NC(=O)NCCCCNc1cccc[nH+]1)c1cccc(C#N)c1 ZINC000610356611 460132609 /nfs/dbraw/zinc/13/26/09/460132609.db2.gz WHKIPPGAVREDCA-HNNXBMFYSA-N 1 2 337.427 3.206 20 30 EGEDLO Cc1cccn2cc(CCNC(=O)N[C@H](C)c3ccc(C#N)cc3)[nH+]c12 ZINC000610454149 460155776 /nfs/dbraw/zinc/15/57/76/460155776.db2.gz OSZULIKUHRNQTR-OAHLLOKOSA-N 1 2 347.422 3.117 20 30 EGEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000602867015 460165190 /nfs/dbraw/zinc/16/51/90/460165190.db2.gz BAOPGOWBGHPQOR-JKSUJKDBSA-N 1 2 337.423 3.484 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505566 460168652 /nfs/dbraw/zinc/16/86/52/460168652.db2.gz PPEDJKOUTJCILG-WMLDXEAASA-N 1 2 329.419 3.304 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505566 460168658 /nfs/dbraw/zinc/16/86/58/460168658.db2.gz PPEDJKOUTJCILG-WMLDXEAASA-N 1 2 329.419 3.304 20 30 EGEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000594283231 460179967 /nfs/dbraw/zinc/17/99/67/460179967.db2.gz FTJHMKYLICTKDW-MRXNPFEDSA-N 1 2 336.439 3.140 20 30 EGEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000594286763 460180724 /nfs/dbraw/zinc/18/07/24/460180724.db2.gz VSENFNUXNMYQSJ-YMTOWFKASA-N 1 2 337.210 3.276 20 30 EGEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000594286763 460180729 /nfs/dbraw/zinc/18/07/29/460180729.db2.gz VSENFNUXNMYQSJ-YMTOWFKASA-N 1 2 337.210 3.276 20 30 EGEDLO Cc1nn(-c2ccccc2)c(CN2CCC[C@@H](n3cc[nH+]c3)C2)c1C#N ZINC000611346918 460342155 /nfs/dbraw/zinc/34/21/55/460342155.db2.gz RCJFSZFMYLLRLM-GOSISDBHSA-N 1 2 346.438 3.086 20 30 EGEDLO CC(C)(C#N)c1ccc(NC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000604084828 460376928 /nfs/dbraw/zinc/37/69/28/460376928.db2.gz AZYJIGMTPYOPFW-UHFFFAOYSA-N 1 2 325.416 3.286 20 30 EGEDLO CCc1noc(C)c1C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551596 460395593 /nfs/dbraw/zinc/39/55/93/460395593.db2.gz RUIDGERECMGNDX-IBGZPJMESA-N 1 2 342.418 3.067 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612103870 460541880 /nfs/dbraw/zinc/54/18/80/460541880.db2.gz PPLXUNHBQQTRBQ-IBGZPJMESA-N 1 2 339.443 3.070 20 30 EGEDLO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)c2nc(C)no2)cc1OC ZINC000628250891 461061199 /nfs/dbraw/zinc/06/11/99/461061199.db2.gz JUVJWCREWPATJG-JTQLQIEISA-N 1 2 337.807 3.456 20 30 EGEDLO C=CCCC(C)(C)NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000666395079 461603352 /nfs/dbraw/zinc/60/33/52/461603352.db2.gz KJQFMOGWSXCWSA-UHFFFAOYSA-N 1 2 332.448 3.093 20 30 EGEDLO C=CCCn1cc(C[NH+]2CCC(OCc3ccccc3F)CC2)nn1 ZINC000653595848 461749471 /nfs/dbraw/zinc/74/94/71/461749471.db2.gz WKNLFYLVEDODRT-UHFFFAOYSA-N 1 2 344.434 3.175 20 30 EGEDLO CC#CCN(C)C(=O)c1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000647541439 461755090 /nfs/dbraw/zinc/75/50/90/461755090.db2.gz IMYRSXFHQKCVCO-UHFFFAOYSA-N 1 2 347.418 3.317 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000660709683 461933999 /nfs/dbraw/zinc/93/39/99/461933999.db2.gz AEIHIKNVTCTCGZ-ZDUSSCGKSA-N 1 2 346.862 3.410 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000660709683 461934002 /nfs/dbraw/zinc/93/40/02/461934002.db2.gz AEIHIKNVTCTCGZ-ZDUSSCGKSA-N 1 2 346.862 3.410 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657303529 462029890 /nfs/dbraw/zinc/02/98/90/462029890.db2.gz UVVRRSQKJSNSGS-ZBFHGGJFSA-N 1 2 332.469 3.014 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657303529 462029895 /nfs/dbraw/zinc/02/98/95/462029895.db2.gz UVVRRSQKJSNSGS-ZBFHGGJFSA-N 1 2 332.469 3.014 20 30 EGEDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c(C)n1-c1nccs1 ZINC000661150591 462124844 /nfs/dbraw/zinc/12/48/44/462124844.db2.gz PBUYTZCOWUNZGO-HNNXBMFYSA-N 1 2 342.468 3.359 20 30 EGEDLO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c(C)n1-c1nccs1 ZINC000661150591 462124850 /nfs/dbraw/zinc/12/48/50/462124850.db2.gz PBUYTZCOWUNZGO-HNNXBMFYSA-N 1 2 342.468 3.359 20 30 EGEDLO C=CC[N@H+](Cc1nc(-c2cc(F)c(F)c(F)c2)no1)[C@H](C)COC ZINC000661244121 462167594 /nfs/dbraw/zinc/16/75/94/462167594.db2.gz QBAFLAUYECKRMC-SNVBAGLBSA-N 1 2 341.333 3.177 20 30 EGEDLO C=CC[N@@H+](Cc1nc(-c2cc(F)c(F)c(F)c2)no1)[C@H](C)COC ZINC000661244121 462167601 /nfs/dbraw/zinc/16/76/01/462167601.db2.gz QBAFLAUYECKRMC-SNVBAGLBSA-N 1 2 341.333 3.177 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000186837068 527527221 /nfs/dbraw/zinc/52/72/21/527527221.db2.gz AJJIRXIYAYIMEI-YJBOKZPZSA-N 1 2 336.501 3.182 20 30 EGEDLO CCOc1ccc(C#N)cc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000171891782 528378677 /nfs/dbraw/zinc/37/86/77/528378677.db2.gz ZJIJTPTVYZEBPH-UHFFFAOYSA-N 1 2 339.399 3.022 20 30 EGEDLO Cc1[nH]c(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)c[nH+]1 ZINC000328833757 547485687 /nfs/dbraw/zinc/48/56/87/547485687.db2.gz LSHNTCJTNFODCF-UHFFFAOYSA-N 1 2 341.411 3.306 20 30 EGEDLO C[C@@H](NC(=O)C1CCCC1)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000328965308 547488380 /nfs/dbraw/zinc/48/83/80/547488380.db2.gz SBIUCKLUXNQBAZ-SNVBAGLBSA-N 1 2 336.461 3.254 20 30 EGEDLO C[C@@H](NC(=O)C1CCCC1)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000328965308 547488388 /nfs/dbraw/zinc/48/83/88/547488388.db2.gz SBIUCKLUXNQBAZ-SNVBAGLBSA-N 1 2 336.461 3.254 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H](C)[C@H]1CCCOC1 ZINC000330266912 547517593 /nfs/dbraw/zinc/51/75/93/547517593.db2.gz HUXNNADJGGNVPW-PMPSAXMXSA-N 1 2 334.464 3.159 20 30 EGEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)NCCC2CCCCC2)CCO1 ZINC000330339324 547519675 /nfs/dbraw/zinc/51/96/75/547519675.db2.gz WNKZPSQBHRSSLI-RDJZCZTQSA-N 1 2 334.464 3.114 20 30 EGEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CC2(CCC2)[C@H]1c1ccccc1 ZINC000330347313 547520499 /nfs/dbraw/zinc/52/04/99/547520499.db2.gz HLXLUUFRJZLFPL-SJLPKXTDSA-N 1 2 336.439 3.339 20 30 EGEDLO CN(C(=O)C[N@H+](C)CC#Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000674249360 548711656 /nfs/dbraw/zinc/71/16/56/548711656.db2.gz QKZOZSFBLCXBTJ-UHFFFAOYSA-N 1 2 332.875 3.414 20 30 EGEDLO CN(C(=O)C[N@@H+](C)CC#Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000674249360 548711659 /nfs/dbraw/zinc/71/16/59/548711659.db2.gz QKZOZSFBLCXBTJ-UHFFFAOYSA-N 1 2 332.875 3.414 20 30 EGEDLO CCC#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000677476672 549277852 /nfs/dbraw/zinc/27/78/52/549277852.db2.gz ACCSNKIVSRJNCU-ZDUSSCGKSA-N 1 2 337.261 3.430 20 30 EGEDLO CCC#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000677476672 549277857 /nfs/dbraw/zinc/27/78/57/549277857.db2.gz ACCSNKIVSRJNCU-ZDUSSCGKSA-N 1 2 337.261 3.430 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000682361069 550089194 /nfs/dbraw/zinc/08/91/94/550089194.db2.gz IBNDIHPJCQXDAD-DNVCBOLYSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000682361069 550089195 /nfs/dbraw/zinc/08/91/95/550089195.db2.gz IBNDIHPJCQXDAD-DNVCBOLYSA-N 1 2 333.476 3.433 20 30 EGEDLO COCC#CC[N@@H+]1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000684668490 550353748 /nfs/dbraw/zinc/35/37/48/550353748.db2.gz OSJOLOXNTQDYPF-HNNXBMFYSA-N 1 2 326.209 3.375 20 30 EGEDLO COCC#CC[N@H+]1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000684668490 550353750 /nfs/dbraw/zinc/35/37/50/550353750.db2.gz OSJOLOXNTQDYPF-HNNXBMFYSA-N 1 2 326.209 3.375 20 30 EGEDLO C#Cc1cccc(NC(=S)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000726464045 574557667 /nfs/dbraw/zinc/55/76/67/574557667.db2.gz GAKZZKAJFRWHQM-UHFFFAOYSA-N 1 2 346.459 3.399 20 30 EGEDLO CC(=[NH+]NCc1ccc(Br)cc1)c1csc(N)n1 ZINC000726739714 574569290 /nfs/dbraw/zinc/56/92/90/574569290.db2.gz HNXJCPGZMVDKLD-UHFFFAOYSA-N 1 2 325.235 3.002 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)c1=S ZINC000727430547 574666813 /nfs/dbraw/zinc/66/68/13/574666813.db2.gz JQCCEXDYOYRUNW-MRXNPFEDSA-N 1 2 329.473 3.222 20 30 EGEDLO C=CCn1nnn(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)c1=S ZINC000727430547 574666814 /nfs/dbraw/zinc/66/68/14/574666814.db2.gz JQCCEXDYOYRUNW-MRXNPFEDSA-N 1 2 329.473 3.222 20 30 EGEDLO S=C(NCC1CCC1)N[NH+]=Cc1ccc(N2CCCCC2)s1 ZINC000727653327 574681463 /nfs/dbraw/zinc/68/14/63/574681463.db2.gz KBJNYCYEYKTTNW-UHFFFAOYSA-N 1 2 336.530 3.337 20 30 EGEDLO C#CC[NH+]1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000727831552 574692752 /nfs/dbraw/zinc/69/27/52/574692752.db2.gz ILVDOOKCIISFPN-UHFFFAOYSA-N 1 2 347.178 3.223 20 30 EGEDLO CC(=Nn1cc(Br)cn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000752748584 574815746 /nfs/dbraw/zinc/81/57/46/574815746.db2.gz ZOADNUXREPINFH-UHFFFAOYSA-N 1 2 330.189 3.104 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000730096719 574919752 /nfs/dbraw/zinc/91/97/52/574919752.db2.gz RVXHWMDNPBMXEF-IBGZPJMESA-N 1 2 344.418 3.266 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000730096719 574919754 /nfs/dbraw/zinc/91/97/54/574919754.db2.gz RVXHWMDNPBMXEF-IBGZPJMESA-N 1 2 344.418 3.266 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000730283802 574965974 /nfs/dbraw/zinc/96/59/74/574965974.db2.gz HADBDXOWUMQCMZ-IBGZPJMESA-N 1 2 325.456 3.467 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000730283802 574965975 /nfs/dbraw/zinc/96/59/75/574965975.db2.gz HADBDXOWUMQCMZ-IBGZPJMESA-N 1 2 325.456 3.467 20 30 EGEDLO C=CCNC(=S)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000731949857 575223296 /nfs/dbraw/zinc/22/32/96/575223296.db2.gz KTMCKPNYNDBPOC-UHFFFAOYSA-N 1 2 332.498 3.248 20 30 EGEDLO C=CCNC(=S)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000731949857 575223299 /nfs/dbraw/zinc/22/32/99/575223299.db2.gz KTMCKPNYNDBPOC-UHFFFAOYSA-N 1 2 332.498 3.248 20 30 EGEDLO C=CC1CC[NH+](CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)CC1 ZINC000732180847 575241733 /nfs/dbraw/zinc/24/17/33/575241733.db2.gz GALLHJQCXNHRNM-UHFFFAOYSA-N 1 2 339.222 3.445 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000733201895 575319525 /nfs/dbraw/zinc/31/95/25/575319525.db2.gz PDFUSDPWQPEKBN-GASCZTMLSA-N 1 2 329.444 3.388 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000733201895 575319526 /nfs/dbraw/zinc/31/95/26/575319526.db2.gz PDFUSDPWQPEKBN-GASCZTMLSA-N 1 2 329.444 3.388 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 ZINC000734426642 575485922 /nfs/dbraw/zinc/48/59/22/575485922.db2.gz SCRQAXVLPYQYCI-HNNXBMFYSA-N 1 2 343.427 3.294 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 ZINC000734426642 575485926 /nfs/dbraw/zinc/48/59/26/575485926.db2.gz SCRQAXVLPYQYCI-HNNXBMFYSA-N 1 2 343.427 3.294 20 30 EGEDLO C=CC[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccncc1 ZINC000734666194 575534322 /nfs/dbraw/zinc/53/43/22/575534322.db2.gz VSZLXSWCNSWSTD-IBGZPJMESA-N 1 2 347.422 3.384 20 30 EGEDLO C=CC[C@H](NC(=O)NCc1cn2c(cccc2C)[nH+]1)c1ccncc1 ZINC000734669329 575534381 /nfs/dbraw/zinc/53/43/81/575534381.db2.gz TVCAHTHSZVUAFD-KRWDZBQOSA-N 1 2 335.411 3.154 20 30 EGEDLO C=C(Br)COC(=O)CCC[NH2+]c1ccc(OC)cc1 ZINC000736833846 576044700 /nfs/dbraw/zinc/04/47/00/576044700.db2.gz FVIIZKJKQLAIPD-UHFFFAOYSA-N 1 2 328.206 3.339 20 30 EGEDLO COc1ccc([C@@H](NC(=O)C[N@H+](CCC#N)CC(C)C)C2CC2)cc1 ZINC000739913884 576518252 /nfs/dbraw/zinc/51/82/52/576518252.db2.gz SMKWOIBUPBAQKB-FQEVSTJZSA-N 1 2 343.471 3.134 20 30 EGEDLO COc1ccc([C@@H](NC(=O)C[N@@H+](CCC#N)CC(C)C)C2CC2)cc1 ZINC000739913884 576518255 /nfs/dbraw/zinc/51/82/55/576518255.db2.gz SMKWOIBUPBAQKB-FQEVSTJZSA-N 1 2 343.471 3.134 20 30 EGEDLO COc1ccc(C[NH2+][C@H](c2nccn2C)c2ccccc2)cc1C#N ZINC000742366401 576773899 /nfs/dbraw/zinc/77/38/99/576773899.db2.gz CSGINPDRLMNLAT-IBGZPJMESA-N 1 2 332.407 3.180 20 30 EGEDLO C#CC[NH+]1CCN(C(=O)c2ccc(OCCCCCC)cc2)CC1 ZINC000744422973 576827885 /nfs/dbraw/zinc/82/78/85/576827885.db2.gz NMJFMBVQSWQGTP-UHFFFAOYSA-N 1 2 328.456 3.037 20 30 EGEDLO COCC[N@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)Cc1ccco1 ZINC000877958009 1299667406 /nfs/dbraw/zinc/66/74/06/1299667406.db2.gz QIQPELNBGWLRBC-FQEVSTJZSA-N 1 2 340.423 3.169 20 30 EGEDLO COCC[N@@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)Cc1ccco1 ZINC000877958009 1299667408 /nfs/dbraw/zinc/66/74/08/1299667408.db2.gz QIQPELNBGWLRBC-FQEVSTJZSA-N 1 2 340.423 3.169 20 30 EGEDLO CSc1ccccc1NC(=O)[C@H](C)O[NH+]=C(N)Cc1ccccc1 ZINC000072001875 1292273092 /nfs/dbraw/zinc/27/30/92/1292273092.db2.gz IAYIXKKPRKASES-ZDUSSCGKSA-N 1 2 343.452 3.267 20 30 EGEDLO N#CC1(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)CCCC1 ZINC000834647944 1293126934 /nfs/dbraw/zinc/12/69/34/1293126934.db2.gz LOBGHOOUOSVCFT-UHFFFAOYSA-N 1 2 348.450 3.288 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+]2CC[C@H](CC)C2)c1=S ZINC000119592237 1293279916 /nfs/dbraw/zinc/27/99/16/1293279916.db2.gz CQODLUQPYWDLQI-AWEZNQCLSA-N 1 2 329.473 3.351 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+]2CC[C@H](CC)C2)c1=S ZINC000119592237 1293279920 /nfs/dbraw/zinc/27/99/20/1293279920.db2.gz CQODLUQPYWDLQI-AWEZNQCLSA-N 1 2 329.473 3.351 20 30 EGEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)SC(C)(C)C1=O ZINC000132410538 1293718150 /nfs/dbraw/zinc/71/81/50/1293718150.db2.gz NAPYTNSUJFSKRR-UHFFFAOYSA-N 1 2 331.441 3.202 20 30 EGEDLO CCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)SC(C)(C)C1=O ZINC000132410538 1293718154 /nfs/dbraw/zinc/71/81/54/1293718154.db2.gz NAPYTNSUJFSKRR-UHFFFAOYSA-N 1 2 331.441 3.202 20 30 EGEDLO NC(Cc1cccnc1)=[NH+]OCc1cc(F)ccc1Br ZINC000137660272 1293831216 /nfs/dbraw/zinc/83/12/16/1293831216.db2.gz OJKSWYFKPMACQQ-UHFFFAOYSA-N 1 2 338.180 3.015 20 30 EGEDLO COc1ccc(C(N)=[NH+]OCc2ncc(-c3ccc(C)cc3)o2)cc1 ZINC000152234817 1293959827 /nfs/dbraw/zinc/95/98/27/1293959827.db2.gz OMGVNUOCWQPFCD-UHFFFAOYSA-N 1 2 337.379 3.496 20 30 EGEDLO Cc1cc(C(N)=[NH+]OCc2noc(C3CCCCC3)n2)ccc1F ZINC000160723656 1294276280 /nfs/dbraw/zinc/27/62/80/1294276280.db2.gz OZHANMJUYNAUOB-UHFFFAOYSA-N 1 2 332.379 3.402 20 30 EGEDLO CC(C)(C)OC(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000178939019 1294764771 /nfs/dbraw/zinc/76/47/71/1294764771.db2.gz HBYJNBZXJWCXFJ-UHFFFAOYSA-N 1 2 332.419 3.120 20 30 EGEDLO CC(C)(C)OC(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000178939019 1294764780 /nfs/dbraw/zinc/76/47/80/1294764780.db2.gz HBYJNBZXJWCXFJ-UHFFFAOYSA-N 1 2 332.419 3.120 20 30 EGEDLO CC(=[NH+]Nc1nc2ccccc2[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000254745346 1296476085 /nfs/dbraw/zinc/47/60/85/1296476085.db2.gz NQUIUZVJXRRJHF-UHFFFAOYSA-N 1 2 335.411 3.236 20 30 EGEDLO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000746456721 1298590753 /nfs/dbraw/zinc/59/07/53/1298590753.db2.gz GMYAGMOUCQHOQH-LLVKDONJSA-N 1 2 349.406 3.370 20 30 EGEDLO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000746456721 1298590758 /nfs/dbraw/zinc/59/07/58/1298590758.db2.gz GMYAGMOUCQHOQH-LLVKDONJSA-N 1 2 349.406 3.370 20 30 EGEDLO Cc1c(C(=O)/C=C\c2c[nH+]c3ccccn23)cnn1-c1ccccn1 ZINC000748441520 1299008092 /nfs/dbraw/zinc/00/80/92/1299008092.db2.gz KUCWLKRPSWFHSG-HJWRWDBZSA-N 1 2 329.363 3.120 20 30 EGEDLO N#Cc1cc(F)ccc1N1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000877746955 1299522758 /nfs/dbraw/zinc/52/27/58/1299522758.db2.gz OURTXRMIRBKBGO-UHFFFAOYSA-N 1 2 342.443 3.353 20 30 EGEDLO CC(=O)[C@@](C#N)(CC[N@@H+](C)Cc1cnc(C)s1)c1ccccc1 ZINC000877972800 1299677670 /nfs/dbraw/zinc/67/76/70/1299677670.db2.gz OMMURLKMCSXYGB-SFHVURJKSA-N 1 2 327.453 3.324 20 30 EGEDLO CC(=O)[C@@](C#N)(CC[N@H+](C)Cc1cnc(C)s1)c1ccccc1 ZINC000877972800 1299677673 /nfs/dbraw/zinc/67/76/73/1299677673.db2.gz OMMURLKMCSXYGB-SFHVURJKSA-N 1 2 327.453 3.324 20 30 EGEDLO C#CC[C@H](NC(=O)NCc1[nH+]cc(C)c(OC)c1C)c1ccccc1 ZINC000757020229 1300613836 /nfs/dbraw/zinc/61/38/36/1300613836.db2.gz BKZUGQZTFKKJIU-KRWDZBQOSA-N 1 2 337.423 3.271 20 30 EGEDLO C#CC[C@H](NC(=O)NCCc1cn2cccc(C)c2[nH+]1)c1ccccc1 ZINC000757035875 1300618878 /nfs/dbraw/zinc/61/88/78/1300618878.db2.gz OXSFKZPDXDPDOC-IBGZPJMESA-N 1 2 346.434 3.249 20 30 EGEDLO Cc1ccn(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)c(=O)c1C#N ZINC000758199188 1300810577 /nfs/dbraw/zinc/81/05/77/1300810577.db2.gz QARJJLPKKUDENN-MRXNPFEDSA-N 1 2 341.842 3.346 20 30 EGEDLO Cc1ccn(C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)c(=O)c1C#N ZINC000758199188 1300810589 /nfs/dbraw/zinc/81/05/89/1300810589.db2.gz QARJJLPKKUDENN-MRXNPFEDSA-N 1 2 341.842 3.346 20 30 EGEDLO CCC(=[NH+]Nc1ccccc1S(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000759195782 1301037621 /nfs/dbraw/zinc/03/76/21/1301037621.db2.gz ICUSOVLDLMDPAH-UHFFFAOYSA-N 1 2 345.468 3.382 20 30 EGEDLO N#CCCNC(=O)C[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000759770807 1301159655 /nfs/dbraw/zinc/15/96/55/1301159655.db2.gz SQSWMCKMBNWHMN-SFHVURJKSA-N 1 2 345.805 3.188 20 30 EGEDLO C#C[C@H](C)N(C)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000767244026 1302616079 /nfs/dbraw/zinc/61/60/79/1302616079.db2.gz KNWPQQDMLWTEEF-BBRMVZONSA-N 1 2 349.272 3.066 20 30 EGEDLO CC(C)C[N@H+](CCC#N)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000768153491 1302838294 /nfs/dbraw/zinc/83/82/94/1302838294.db2.gz HAQGAEFLAVGPQQ-UHFFFAOYSA-N 1 2 326.343 3.388 20 30 EGEDLO CC(C)C[N@@H+](CCC#N)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000768153491 1302838303 /nfs/dbraw/zinc/83/83/03/1302838303.db2.gz HAQGAEFLAVGPQQ-UHFFFAOYSA-N 1 2 326.343 3.388 20 30 EGEDLO N#Cc1cc(Cl)nc(N=NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000768376280 1302891256 /nfs/dbraw/zinc/89/12/56/1302891256.db2.gz SHJGKHYIEDTSJW-UHFFFAOYSA-N 1 2 326.791 3.070 20 30 EGEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cccc2[nH+]ccn21 ZINC000770395801 1303261818 /nfs/dbraw/zinc/26/18/18/1303261818.db2.gz DUINPKBFQAZVQH-UHFFFAOYSA-N 1 2 343.308 3.135 20 30 EGEDLO C=CCNc1ncc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)s1 ZINC000771005532 1303345439 /nfs/dbraw/zinc/34/54/39/1303345439.db2.gz PJIXIAGLVDTZSL-UHFFFAOYSA-N 1 2 325.397 3.383 20 30 EGEDLO S=C(NN=Cc1cccc2[nH+]ccn21)Nc1cccc(Cl)c1 ZINC000771087016 1303358538 /nfs/dbraw/zinc/35/85/38/1303358538.db2.gz CUCWCFKJTBXCCZ-UHFFFAOYSA-N 1 2 329.816 3.308 20 30 EGEDLO CC[N@H+](C)[C@@H](C(=O)OCC#Cc1ccc(F)cc1)c1ccccc1 ZINC000771367183 1303394855 /nfs/dbraw/zinc/39/48/55/1303394855.db2.gz NYKLFGUWTCMAIQ-LJQANCHMSA-N 1 2 325.383 3.413 20 30 EGEDLO CC[N@@H+](C)[C@@H](C(=O)OCC#Cc1ccc(F)cc1)c1ccccc1 ZINC000771367183 1303394860 /nfs/dbraw/zinc/39/48/60/1303394860.db2.gz NYKLFGUWTCMAIQ-LJQANCHMSA-N 1 2 325.383 3.413 20 30 EGEDLO C#CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@H]1CCc2ccccc21 ZINC000771796055 1303444035 /nfs/dbraw/zinc/44/40/35/1303444035.db2.gz KIPOQQARWRYVCD-IBGZPJMESA-N 1 2 347.418 3.329 20 30 EGEDLO C#CC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@H]1CCc2ccccc21 ZINC000771796055 1303444038 /nfs/dbraw/zinc/44/40/38/1303444038.db2.gz KIPOQQARWRYVCD-IBGZPJMESA-N 1 2 347.418 3.329 20 30 EGEDLO N#Cc1ccccc1OCc1cccc(C(=O)OCCn2cc[nH+]c2)c1 ZINC000771965083 1303468362 /nfs/dbraw/zinc/46/83/62/1303468362.db2.gz LKNOGQHGDRSEBJ-UHFFFAOYSA-N 1 2 347.374 3.191 20 30 EGEDLO CC[N@H+](C)[C@H](C(=O)OCc1cccc(C#N)c1F)c1ccccc1 ZINC000774959428 1303882821 /nfs/dbraw/zinc/88/28/21/1303882821.db2.gz HIMRBFJVNXMMRT-SFHVURJKSA-N 1 2 326.371 3.434 20 30 EGEDLO CC[N@@H+](C)[C@H](C(=O)OCc1cccc(C#N)c1F)c1ccccc1 ZINC000774959428 1303882826 /nfs/dbraw/zinc/88/28/26/1303882826.db2.gz HIMRBFJVNXMMRT-SFHVURJKSA-N 1 2 326.371 3.434 20 30 EGEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000775182593 1303920493 /nfs/dbraw/zinc/92/04/93/1303920493.db2.gz DWPUQRHHIZERHH-MRVPVSSYSA-N 1 2 347.050 3.371 20 30 EGEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000775182593 1303920500 /nfs/dbraw/zinc/92/05/00/1303920500.db2.gz DWPUQRHHIZERHH-MRVPVSSYSA-N 1 2 347.050 3.371 20 30 EGEDLO C=CCCC[C@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000775638064 1304000366 /nfs/dbraw/zinc/00/03/66/1304000366.db2.gz ZEFOASNXLJKFOF-AWEZNQCLSA-N 1 2 338.455 3.391 20 30 EGEDLO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccoc2C(=O)OC)c1 ZINC000776185483 1304108319 /nfs/dbraw/zinc/10/83/19/1304108319.db2.gz LUMDIHPOEJFMMX-HNNXBMFYSA-N 1 2 328.368 3.037 20 30 EGEDLO C#CCOc1ccccc1C[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000779103530 1304528897 /nfs/dbraw/zinc/52/88/97/1304528897.db2.gz DEKSXUHHEGHWST-OAQYLSRUSA-N 1 2 349.409 3.450 20 30 EGEDLO C[NH+](C)c1ccc(N2CCC(N=Nc3ncncc3Cl)CC2)cc1 ZINC000780279510 1304670985 /nfs/dbraw/zinc/67/09/85/1304670985.db2.gz NKGVHJKFAURAFU-UHFFFAOYSA-N 1 2 344.850 3.264 20 30 EGEDLO N#Cc1cc(Nc2cccc(C[NH+]3CCOCC3)c2)c([N+](=O)[O-])s1 ZINC000892097266 1305248592 /nfs/dbraw/zinc/24/85/92/1305248592.db2.gz VSFYLHFAAWIDEO-UHFFFAOYSA-N 1 2 344.396 3.104 20 30 EGEDLO N#Cc1ccccc1/C=C\C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000788443988 1305941867 /nfs/dbraw/zinc/94/18/67/1305941867.db2.gz LKEHGDYPPXXOCH-KTKRTIGZSA-N 1 2 342.402 3.133 20 30 EGEDLO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1nnnn1C1CC1 ZINC000790533955 1306346654 /nfs/dbraw/zinc/34/66/54/1306346654.db2.gz IKEGWVMTEMSYJR-CQSZACIVSA-N 1 2 344.422 3.397 20 30 EGEDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)Cc1ccc(C#N)cc1 ZINC000791363835 1308970525 /nfs/dbraw/zinc/97/05/25/1308970525.db2.gz NIUXBWRTIPYFLA-UHFFFAOYSA-N 1 2 331.375 3.338 20 30 EGEDLO C=C1CCN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000895064588 1309175394 /nfs/dbraw/zinc/17/53/94/1309175394.db2.gz DYFGFOYSWDVGGH-UHFFFAOYSA-N 1 2 330.819 3.387 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1CC[C@H](CCc2ccccc2)C1=O ZINC000793483060 1309383466 /nfs/dbraw/zinc/38/34/66/1309383466.db2.gz JWRKWGNBZOEZSJ-NRFANRHFSA-N 1 2 347.462 3.429 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1CC[C@H](CCc2ccccc2)C1=O ZINC000793483060 1309383469 /nfs/dbraw/zinc/38/34/69/1309383469.db2.gz JWRKWGNBZOEZSJ-NRFANRHFSA-N 1 2 347.462 3.429 20 30 EGEDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000793575842 1309407693 /nfs/dbraw/zinc/40/76/93/1309407693.db2.gz CVQPGZDMSXAEPO-UHFFFAOYSA-N 1 2 349.425 3.289 20 30 EGEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000793575842 1309407695 /nfs/dbraw/zinc/40/76/95/1309407695.db2.gz CVQPGZDMSXAEPO-UHFFFAOYSA-N 1 2 349.425 3.289 20 30 EGEDLO C[C@@H]1C[N@H+](Cn2nc(CC#N)n(C)c2=S)CC[C@H]1c1ccccc1 ZINC000794632557 1309559820 /nfs/dbraw/zinc/55/98/20/1309559820.db2.gz KNYJUSDZNGWETI-GDBMZVCRSA-N 1 2 341.484 3.100 20 30 EGEDLO C[C@@H]1C[N@@H+](Cn2nc(CC#N)n(C)c2=S)CC[C@H]1c1ccccc1 ZINC000794632557 1309559823 /nfs/dbraw/zinc/55/98/23/1309559823.db2.gz KNYJUSDZNGWETI-GDBMZVCRSA-N 1 2 341.484 3.100 20 30 EGEDLO C[C@@H]1c2c(c(O)ccc2F)C(=O)/C1=C/c1ncc(C[NH+](C)C)s1 ZINC000794700807 1309577423 /nfs/dbraw/zinc/57/74/23/1309577423.db2.gz YXMMVMOGOVCNGT-CAXXOGMASA-N 1 2 332.400 3.433 20 30 EGEDLO C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000795697949 1309811766 /nfs/dbraw/zinc/81/17/66/1309811766.db2.gz CWRGAWVQNFKSAM-ZBFHGGJFSA-N 1 2 341.484 3.448 20 30 EGEDLO C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000795697949 1309811780 /nfs/dbraw/zinc/81/17/80/1309811780.db2.gz CWRGAWVQNFKSAM-ZBFHGGJFSA-N 1 2 341.484 3.448 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OCCCC(C)(C)C#N ZINC000796002091 1309882744 /nfs/dbraw/zinc/88/27/44/1309882744.db2.gz FNYHFCVWISAQLY-UHFFFAOYSA-N 1 2 335.354 3.496 20 30 EGEDLO C#CC[N@@H+](CC(=O)NCc1ccc(CC)s1)Cc1ccccc1 ZINC000796639208 1310054273 /nfs/dbraw/zinc/05/42/73/1310054273.db2.gz JUGGAQNQQLXDGO-UHFFFAOYSA-N 1 2 326.465 3.062 20 30 EGEDLO C#CC[N@H+](CC(=O)NCc1ccc(CC)s1)Cc1ccccc1 ZINC000796639208 1310054284 /nfs/dbraw/zinc/05/42/84/1310054284.db2.gz JUGGAQNQQLXDGO-UHFFFAOYSA-N 1 2 326.465 3.062 20 30 EGEDLO Cc1cc(C)cc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 ZINC000798273731 1310332405 /nfs/dbraw/zinc/33/24/05/1310332405.db2.gz JGTISBSTTXYYFN-SJORKVTESA-N 1 2 329.444 3.152 20 30 EGEDLO C[C@H](c1cccc(NC(=O)C#Cc2cccs2)c1)[NH+]1CCOCC1 ZINC000825714859 1320357642 /nfs/dbraw/zinc/35/76/42/1320357642.db2.gz XVYLOHMSZNNFSV-OAHLLOKOSA-N 1 2 340.448 3.132 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(O[C@@H](C)CC)cc2)C1 ZINC000957103840 1317189923 /nfs/dbraw/zinc/18/99/23/1317189923.db2.gz BPYFPWIXDSUSQL-INIZCTEOSA-N 1 2 328.456 3.034 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000957318362 1317281075 /nfs/dbraw/zinc/28/10/75/1317281075.db2.gz ABZIGBMDJYWESQ-UHFFFAOYSA-N 1 2 325.239 3.163 20 30 EGEDLO Cc1ccc(C(=O)/C=C/C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000901038585 1317375479 /nfs/dbraw/zinc/37/54/79/1317375479.db2.gz DJSYCJPQTRGETO-FPTDEYDUSA-N 1 2 337.423 3.040 20 30 EGEDLO Cc1ccc(C(=O)/C=C\C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000901038589 1317375594 /nfs/dbraw/zinc/37/55/94/1317375594.db2.gz DJSYCJPQTRGETO-UGKULVSSSA-N 1 2 337.423 3.040 20 30 EGEDLO CCOC(=O)Cc1ccc(C(=O)/C=C\c2c[nH+]cn2C(C)C)cc1 ZINC000901456802 1317428188 /nfs/dbraw/zinc/42/81/88/1317428188.db2.gz BTWMEQHDZMIYSI-KTKRTIGZSA-N 1 2 326.396 3.466 20 30 EGEDLO CCOC(=O)COc1cccc(C(=O)/C=C/c2c[nH+]cn2C(C)C)c1 ZINC000901468127 1317432251 /nfs/dbraw/zinc/43/22/51/1317432251.db2.gz XUZQTTIGKUHDSA-CMDGGOBGSA-N 1 2 342.395 3.302 20 30 EGEDLO COc1cc(NC(C)=O)ccc1C(=O)/C=C\c1c[nH+]cn1C(C)C ZINC000901486794 1317434568 /nfs/dbraw/zinc/43/45/68/1317434568.db2.gz QFWZZJSEPXWVOP-VURMDHGXSA-N 1 2 327.384 3.327 20 30 EGEDLO C#Cc1cncc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC000807163044 1317554192 /nfs/dbraw/zinc/55/41/92/1317554192.db2.gz IHIHKRALQLKTBM-UHFFFAOYSA-N 1 2 340.386 3.230 20 30 EGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@H](C#N)C3)n2)C1 ZINC000902916762 1317630308 /nfs/dbraw/zinc/63/03/08/1317630308.db2.gz BXZMTOFAVLXCRW-UONOGXRCSA-N 1 2 347.488 3.142 20 30 EGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@H](C#N)C3)n2)C1 ZINC000902916762 1317630312 /nfs/dbraw/zinc/63/03/12/1317630312.db2.gz BXZMTOFAVLXCRW-UONOGXRCSA-N 1 2 347.488 3.142 20 30 EGEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)CC(C3CC3)C3CC3)CC2)c1 ZINC000957789955 1317644852 /nfs/dbraw/zinc/64/48/52/1317644852.db2.gz DELJSUUIEFTDNG-UHFFFAOYSA-N 1 2 337.467 3.029 20 30 EGEDLO Cc1nsc(N2CC[NH+](Cc3ccc(CF)cc3)CC2)c1C#N ZINC000810065484 1317946370 /nfs/dbraw/zinc/94/63/70/1317946370.db2.gz VIVQAPWKSVJGOO-UHFFFAOYSA-N 1 2 330.432 3.115 20 30 EGEDLO N#Cc1ccccc1COC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000810560812 1318023392 /nfs/dbraw/zinc/02/33/92/1318023392.db2.gz NDFNKHJMMVEIFZ-UHFFFAOYSA-N 1 2 331.375 3.089 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811735559 1318244024 /nfs/dbraw/zinc/24/40/24/1318244024.db2.gz QAWXVOIACVRYIR-GOSISDBHSA-N 1 2 328.456 3.288 20 30 EGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811735559 1318244032 /nfs/dbraw/zinc/24/40/32/1318244032.db2.gz QAWXVOIACVRYIR-GOSISDBHSA-N 1 2 328.456 3.288 20 30 EGEDLO CC(C)(C#N)CC(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907816581 1318266070 /nfs/dbraw/zinc/26/60/70/1318266070.db2.gz VSLFCYGOQNJOEN-AWEZNQCLSA-N 1 2 328.460 3.371 20 30 EGEDLO CC(C)(C#N)CC(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907816581 1318266078 /nfs/dbraw/zinc/26/60/78/1318266078.db2.gz VSLFCYGOQNJOEN-AWEZNQCLSA-N 1 2 328.460 3.371 20 30 EGEDLO CCCCc1nc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@@H](C)C#N)cs1 ZINC000960501262 1318608790 /nfs/dbraw/zinc/60/87/90/1318608790.db2.gz KLQDUYHQORJDPM-GOEBONIOSA-N 1 2 348.516 3.068 20 30 EGEDLO CCCCc1nc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@@H](C)C#N)cs1 ZINC000960501262 1318608796 /nfs/dbraw/zinc/60/87/96/1318608796.db2.gz KLQDUYHQORJDPM-GOEBONIOSA-N 1 2 348.516 3.068 20 30 EGEDLO CCc1ccc([C@H]2CC[N@H+](Cn3nc(CC#N)n(C)c3=S)C2)cc1 ZINC000814225606 1318703969 /nfs/dbraw/zinc/70/39/69/1318703969.db2.gz UJCHSCFIWNSGEU-INIZCTEOSA-N 1 2 341.484 3.027 20 30 EGEDLO CCc1ccc([C@H]2CC[N@@H+](Cn3nc(CC#N)n(C)c3=S)C2)cc1 ZINC000814225606 1318703976 /nfs/dbraw/zinc/70/39/76/1318703976.db2.gz UJCHSCFIWNSGEU-INIZCTEOSA-N 1 2 341.484 3.027 20 30 EGEDLO CCc1ccc(C#CC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000814400671 1318735131 /nfs/dbraw/zinc/73/51/31/1318735131.db2.gz UVSLABWSEBHOSD-OAQYLSRUSA-N 1 2 332.447 3.116 20 30 EGEDLO CCc1ccc(C#CC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000814400671 1318735136 /nfs/dbraw/zinc/73/51/36/1318735136.db2.gz UVSLABWSEBHOSD-OAQYLSRUSA-N 1 2 332.447 3.116 20 30 EGEDLO CN(C)c1cc(C#N)cc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000814573049 1318779324 /nfs/dbraw/zinc/77/93/24/1318779324.db2.gz KGIYJKURRDBEBE-UHFFFAOYSA-N 1 2 346.390 3.167 20 30 EGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cccc(-n2cnnc2)c1 ZINC000814841273 1318829741 /nfs/dbraw/zinc/82/97/41/1318829741.db2.gz JPIWSCCUCFKIEM-UHFFFAOYSA-N 1 2 328.379 3.074 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)[C@@H](C)c1nc(C(C)C)no1 ZINC000960790158 1318891403 /nfs/dbraw/zinc/89/14/03/1318891403.db2.gz KZDTXTNEIUWFSX-GJZGRUSLSA-N 1 2 348.491 3.389 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)[C@@H](C)c1nc(C(C)C)no1 ZINC000960790158 1318891415 /nfs/dbraw/zinc/89/14/15/1318891415.db2.gz KZDTXTNEIUWFSX-GJZGRUSLSA-N 1 2 348.491 3.389 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)[C@@H](C)c2nc(C)no2)CC1 ZINC000960834726 1318964886 /nfs/dbraw/zinc/96/48/86/1318964886.db2.gz VZVQQCBWOBROEN-YOEHRIQHSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)[C@@H](C)c2nc(C)no2)CC1 ZINC000960834726 1318964898 /nfs/dbraw/zinc/96/48/98/1318964898.db2.gz VZVQQCBWOBROEN-YOEHRIQHSA-N 1 2 346.475 3.108 20 30 EGEDLO CS(=O)(=O)c1ccc(N[NH+]=C2CCCCc3ccc(N)cc32)cc1 ZINC000817323085 1319326100 /nfs/dbraw/zinc/32/61/00/1319326100.db2.gz HKFGVSGEIUKPDO-UHFFFAOYSA-N 1 2 343.452 3.215 20 30 EGEDLO CS(=O)(=O)c1cccc(N[NH+]=C2CCCCc3ccc(N)cc32)c1 ZINC000817326804 1319327598 /nfs/dbraw/zinc/32/75/98/1319327598.db2.gz WCDWHVIPYZGFLK-UHFFFAOYSA-N 1 2 343.452 3.215 20 30 EGEDLO N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCn2cc[nH+]c2)cc1 ZINC000915352313 1319471497 /nfs/dbraw/zinc/47/14/97/1319471497.db2.gz JQCHLXUUVZLNKM-LJQANCHMSA-N 1 2 345.406 3.360 20 30 EGEDLO C#CCCOc1ccc(C[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)cc1 ZINC000818232205 1319523890 /nfs/dbraw/zinc/52/38/90/1319523890.db2.gz VIUXNJSUKIFNEI-ZDUSSCGKSA-N 1 2 344.436 3.183 20 30 EGEDLO Cn1c(N=NCc2ccc(-n3cc[nH+]c3)cc2)nnc1-c1ccccc1 ZINC000915968086 1319574107 /nfs/dbraw/zinc/57/41/07/1319574107.db2.gz FOPBWJPYSCOQDS-UHFFFAOYSA-N 1 2 343.394 3.114 20 30 EGEDLO C[C@H]1C[NH+](Cc2ccccc2N=Cc2cccc(O)c2O)C[C@H](C)O1 ZINC000915981710 1319579575 /nfs/dbraw/zinc/57/95/75/1319579575.db2.gz WAGAQLAKGZDCMT-GJZGRUSLSA-N 1 2 340.423 3.458 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ncc(C(C)C)o4)C[C@H]32)CC1 ZINC000961685058 1319696822 /nfs/dbraw/zinc/69/68/22/1319696822.db2.gz FHBQBGAEXKHCPN-MNZLEMJZSA-N 1 2 343.471 3.091 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ncc(C(C)C)o4)C[C@H]32)CC1 ZINC000961685058 1319696827 /nfs/dbraw/zinc/69/68/27/1319696827.db2.gz FHBQBGAEXKHCPN-MNZLEMJZSA-N 1 2 343.471 3.091 20 30 EGEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(F)cc1C#N ZINC000917008614 1319736789 /nfs/dbraw/zinc/73/67/89/1319736789.db2.gz XLYBSLRMMOSRSL-HNNXBMFYSA-N 1 2 329.379 3.130 20 30 EGEDLO CN1c2ccccc2C(C)(C)C1=CC=[NH+]Nc1[nH]cnc2ncnc1-2 ZINC000917554777 1319835225 /nfs/dbraw/zinc/83/52/25/1319835225.db2.gz KQDXZSVZDPXNBE-WXQZSIRPSA-N 1 2 333.399 3.062 20 30 EGEDLO C[NH+](C)Cc1cccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000821022266 1319993895 /nfs/dbraw/zinc/99/38/95/1319993895.db2.gz QCKUMMFFKWIGIF-CLFYSBASSA-N 1 2 326.352 3.258 20 30 EGEDLO CC(C)(C)OC(=O)NCC[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)C(F)F ZINC000824677359 1320276174 /nfs/dbraw/zinc/27/61/74/1320276174.db2.gz CGGJHQPMFGVTNW-UPJWGTAASA-N 1 2 331.407 3.207 20 30 EGEDLO C[C@@H](c1cccs1)[N@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000836494059 1320494590 /nfs/dbraw/zinc/49/45/90/1320494590.db2.gz SOHSTHMODIUWJP-ZDUSSCGKSA-N 1 2 338.436 3.175 20 30 EGEDLO C[C@@H](c1cccs1)[N@@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000836494059 1320494593 /nfs/dbraw/zinc/49/45/93/1320494593.db2.gz SOHSTHMODIUWJP-ZDUSSCGKSA-N 1 2 338.436 3.175 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)O[C@H]1CCC[C@@H](C#N)C1 ZINC000839059320 1320861008 /nfs/dbraw/zinc/86/10/08/1320861008.db2.gz OVOINPLZWISTKV-NEPJUHHUSA-N 1 2 333.338 3.249 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000839677539 1320957977 /nfs/dbraw/zinc/95/79/77/1320957977.db2.gz VGIRNLCTLFJZAA-HNNXBMFYSA-N 1 2 345.281 3.370 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000839677539 1320957983 /nfs/dbraw/zinc/95/79/83/1320957983.db2.gz VGIRNLCTLFJZAA-HNNXBMFYSA-N 1 2 345.281 3.370 20 30 EGEDLO C=CCc1cc(C[N@@H+]2CC(C)(C)[C@@H]2c2nccn2C)c(O)c(OC)c1 ZINC000840106910 1321030621 /nfs/dbraw/zinc/03/06/21/1321030621.db2.gz JZMURONAEGURIF-SFHVURJKSA-N 1 2 341.455 3.446 20 30 EGEDLO C=CCc1cc(C[N@H+]2CC(C)(C)[C@@H]2c2nccn2C)c(O)c(OC)c1 ZINC000840106910 1321030623 /nfs/dbraw/zinc/03/06/23/1321030623.db2.gz JZMURONAEGURIF-SFHVURJKSA-N 1 2 341.455 3.446 20 30 EGEDLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)s1 ZINC000840724941 1321135678 /nfs/dbraw/zinc/13/56/78/1321135678.db2.gz CSAYRFMEMPHVJN-RYUDHWBXSA-N 1 2 345.424 3.244 20 30 EGEDLO C#CCC[N@@H+](CCOC)Cc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000852753109 1323237440 /nfs/dbraw/zinc/23/74/40/1323237440.db2.gz XSFDWFHFNWQWGT-UHFFFAOYSA-N 1 2 327.428 3.332 20 30 EGEDLO C#CCC[N@H+](CCOC)Cc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000852753109 1323237450 /nfs/dbraw/zinc/23/74/50/1323237450.db2.gz XSFDWFHFNWQWGT-UHFFFAOYSA-N 1 2 327.428 3.332 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1[nH]nc2ccc(C)cc21 ZINC001024529808 1323476068 /nfs/dbraw/zinc/47/60/68/1323476068.db2.gz ZUFXYGGPVYQDTJ-CQSZACIVSA-N 1 2 346.862 3.208 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1[nH]nc2ccc(C)cc21 ZINC001024529808 1323476075 /nfs/dbraw/zinc/47/60/75/1323476075.db2.gz ZUFXYGGPVYQDTJ-CQSZACIVSA-N 1 2 346.862 3.208 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC001024671671 1323584357 /nfs/dbraw/zinc/58/43/57/1323584357.db2.gz IICADLANBVDWSS-ZDUSSCGKSA-N 1 2 348.834 3.007 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC001024671671 1323584360 /nfs/dbraw/zinc/58/43/60/1323584360.db2.gz IICADLANBVDWSS-ZDUSSCGKSA-N 1 2 348.834 3.007 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nc(C2CC2)no1 ZINC001025069285 1323869682 /nfs/dbraw/zinc/86/96/82/1323869682.db2.gz GZXAYISOSZDFTO-BEFAXECRSA-N 1 2 346.475 3.020 20 30 EGEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1CC[C@@H](C2CCCCC2)C1=O ZINC000853489953 1325103774 /nfs/dbraw/zinc/10/37/74/1325103774.db2.gz YAVREXISGVKKSH-IBGZPJMESA-N 1 2 325.456 3.376 20 30 EGEDLO C[N@H+](Cc1cccc(C#N)c1)CN1CC[C@@H](C2CCCCC2)C1=O ZINC000853489953 1325103787 /nfs/dbraw/zinc/10/37/87/1325103787.db2.gz YAVREXISGVKKSH-IBGZPJMESA-N 1 2 325.456 3.376 20 30 EGEDLO C#CCC[N@@H+](CCOC)CN1C(=O)C2(CCCC2)[C@H]1c1ccccc1 ZINC000853621255 1325134390 /nfs/dbraw/zinc/13/43/90/1325134390.db2.gz WFUJORCMVXKWGR-LJQANCHMSA-N 1 2 340.467 3.060 20 30 EGEDLO C#CCC[N@H+](CCOC)CN1C(=O)C2(CCCC2)[C@H]1c1ccccc1 ZINC000853621255 1325134395 /nfs/dbraw/zinc/13/43/95/1325134395.db2.gz WFUJORCMVXKWGR-LJQANCHMSA-N 1 2 340.467 3.060 20 30 EGEDLO Cc1c[nH+]c(CCNc2cc(Br)cnc2C#N)c(C)c1 ZINC000853714529 1325150640 /nfs/dbraw/zinc/15/06/40/1325150640.db2.gz AKMZKOMBSFWWGD-UHFFFAOYSA-N 1 2 331.217 3.382 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]([N@H+](C)Cc2cc(C)on2)C1 ZINC001027426895 1327664648 /nfs/dbraw/zinc/66/46/48/1327664648.db2.gz VOVHDQGDXBPHCU-HNNXBMFYSA-N 1 2 339.867 3.185 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2cc(C)on2)C1 ZINC001027426895 1327664661 /nfs/dbraw/zinc/66/46/61/1327664661.db2.gz VOVHDQGDXBPHCU-HNNXBMFYSA-N 1 2 339.867 3.185 20 30 EGEDLO C[C@@H]1CC[N@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)c1cccs1 ZINC000964831859 1327717993 /nfs/dbraw/zinc/71/79/93/1327717993.db2.gz AGWQZBPPBBFZCB-AEFFLSMTSA-N 1 2 338.476 3.240 20 30 EGEDLO C[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)c1cccs1 ZINC000964831859 1327718000 /nfs/dbraw/zinc/71/80/00/1327718000.db2.gz AGWQZBPPBBFZCB-AEFFLSMTSA-N 1 2 338.476 3.240 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)[C@@H](C)c2nnc(CC)o2)C1 ZINC001027519426 1327790650 /nfs/dbraw/zinc/79/06/50/1327790650.db2.gz NANSPVPXORRONC-GJZGRUSLSA-N 1 2 348.491 3.218 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([N@H+](C)[C@@H](C)c2nnc(CC)o2)C1 ZINC001027519426 1327790654 /nfs/dbraw/zinc/79/06/54/1327790654.db2.gz NANSPVPXORRONC-GJZGRUSLSA-N 1 2 348.491 3.218 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)[C@@H](C)c2nnc(CC)o2)C1 ZINC001027519428 1327790713 /nfs/dbraw/zinc/79/07/13/1327790713.db2.gz NANSPVPXORRONC-LSDHHAIUSA-N 1 2 348.491 3.218 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)[C@@H](C)c2nnc(CC)o2)C1 ZINC001027519428 1327790722 /nfs/dbraw/zinc/79/07/22/1327790722.db2.gz NANSPVPXORRONC-LSDHHAIUSA-N 1 2 348.491 3.218 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]([N@H+](C)Cc3ncc(C)s3)C2)C1 ZINC001027566427 1327894198 /nfs/dbraw/zinc/89/41/98/1327894198.db2.gz IQBKGVJJMUWTJJ-HNNXBMFYSA-N 1 2 333.501 3.231 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]([N@@H+](C)Cc3ncc(C)s3)C2)C1 ZINC001027566427 1327894200 /nfs/dbraw/zinc/89/42/00/1327894200.db2.gz IQBKGVJJMUWTJJ-HNNXBMFYSA-N 1 2 333.501 3.231 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)C2(C)CC(=C)C2)C1 ZINC001027567023 1327896472 /nfs/dbraw/zinc/89/64/72/1327896472.db2.gz PORACTFXFZENTH-AWEZNQCLSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)C2(C)CC(=C)C2)C1 ZINC001027567023 1327896479 /nfs/dbraw/zinc/89/64/79/1327896479.db2.gz PORACTFXFZENTH-AWEZNQCLSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]([N@@H+](C)[C@@H](C)c3nnc(C)s3)C2)C1 ZINC001027567768 1327898477 /nfs/dbraw/zinc/89/84/77/1327898477.db2.gz ZZJJDEFCVPTPOS-ZFWWWQNUSA-N 1 2 348.516 3.187 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]([N@H+](C)[C@@H](C)c3nnc(C)s3)C2)C1 ZINC001027567768 1327898484 /nfs/dbraw/zinc/89/84/84/1327898484.db2.gz ZZJJDEFCVPTPOS-ZFWWWQNUSA-N 1 2 348.516 3.187 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2c(C)cccc2C)C1 ZINC000966493228 1328322578 /nfs/dbraw/zinc/32/25/78/1328322578.db2.gz UPMCJNCHOIODRL-QAPCUYQASA-N 1 2 334.891 3.425 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2c(C)cccc2C)C1 ZINC000966493228 1328322587 /nfs/dbraw/zinc/32/25/87/1328322587.db2.gz UPMCJNCHOIODRL-QAPCUYQASA-N 1 2 334.891 3.425 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)c(OC)c(C)c1 ZINC001027898716 1328364608 /nfs/dbraw/zinc/36/46/08/1328364608.db2.gz MXEXFFGJYROWCH-MRXNPFEDSA-N 1 2 336.863 3.259 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)c(OC)c(C)c1 ZINC001027898716 1328364619 /nfs/dbraw/zinc/36/46/19/1328364619.db2.gz MXEXFFGJYROWCH-MRXNPFEDSA-N 1 2 336.863 3.259 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1c(F)ccc2ccncc21 ZINC001027898245 1328365302 /nfs/dbraw/zinc/36/53/02/1328365302.db2.gz XITFNNOUTFCXMB-AWEZNQCLSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1c(F)ccc2ccncc21 ZINC001027898245 1328365311 /nfs/dbraw/zinc/36/53/11/1328365311.db2.gz XITFNNOUTFCXMB-AWEZNQCLSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1coc2ccc(OC)cc21 ZINC001028017592 1328479483 /nfs/dbraw/zinc/47/94/83/1328479483.db2.gz VLQKOCBSMUVCIU-ZDUSSCGKSA-N 1 2 348.830 3.388 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1coc2ccc(OC)cc21 ZINC001028017592 1328479489 /nfs/dbraw/zinc/47/94/89/1328479489.db2.gz VLQKOCBSMUVCIU-ZDUSSCGKSA-N 1 2 348.830 3.388 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(C(C)C)c1Cl ZINC001028048633 1328513928 /nfs/dbraw/zinc/51/39/28/1328513928.db2.gz ICYXBWWTPUYQKW-GFCCVEGCSA-N 1 2 345.274 3.064 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(C(C)C)c1Cl ZINC001028048633 1328513934 /nfs/dbraw/zinc/51/39/34/1328513934.db2.gz ICYXBWWTPUYQKW-GFCCVEGCSA-N 1 2 345.274 3.064 20 30 EGEDLO COc1cccc(C[NH+]2CCN(c3cc(C(C)=O)ccc3C#N)CC2)c1 ZINC000866125164 1330067882 /nfs/dbraw/zinc/06/78/82/1330067882.db2.gz CVVXJGYHQLRVSY-UHFFFAOYSA-N 1 2 349.434 3.092 20 30 EGEDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000867627021 1330211662 /nfs/dbraw/zinc/21/16/62/1330211662.db2.gz BFOXQEAOQZYRDD-UHFFFAOYSA-N 1 2 347.415 3.229 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]c(C2CC2)n1 ZINC001062012889 1351423631 /nfs/dbraw/zinc/42/36/31/1351423631.db2.gz UNPCSMQSIZEIQU-IYBDPMFKSA-N 1 2 340.471 3.054 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2CCCC2)C[C@H]1C ZINC000946976631 1332952410 /nfs/dbraw/zinc/95/24/10/1332952410.db2.gz XWGBOWFNHODTOY-OCCSQVGLSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2CCCC2)C[C@H]1C ZINC000946976631 1332952412 /nfs/dbraw/zinc/95/24/12/1332952412.db2.gz XWGBOWFNHODTOY-OCCSQVGLSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2)C[C@@H]1C ZINC000947006345 1332967833 /nfs/dbraw/zinc/96/78/33/1332967833.db2.gz ZUVJWQCGVZPVPY-DZGCQCFKSA-N 1 2 337.261 3.178 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2)C[C@@H]1C ZINC000947006345 1332967830 /nfs/dbraw/zinc/96/78/30/1332967830.db2.gz ZUVJWQCGVZPVPY-DZGCQCFKSA-N 1 2 337.261 3.178 20 30 EGEDLO C#Cc1ccc(C(=O)N2CCC(CCNc3cc[nH+]c(C)n3)CC2)cc1 ZINC001063333482 1351820657 /nfs/dbraw/zinc/82/06/57/1351820657.db2.gz SNTFEXCKOSASPU-UHFFFAOYSA-N 1 2 348.450 3.121 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3coc(C)n3)[C@@H](C)C2)CC1 ZINC000947690266 1333225285 /nfs/dbraw/zinc/22/52/85/1333225285.db2.gz SVWOXQVWCCWBEA-WMLDXEAASA-N 1 2 331.460 3.199 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3coc(C)n3)[C@@H](C)C2)CC1 ZINC000947690266 1333225288 /nfs/dbraw/zinc/22/52/88/1333225288.db2.gz SVWOXQVWCCWBEA-WMLDXEAASA-N 1 2 331.460 3.199 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CCC[N@@H+]([C@H](C)c3noc(C)n3)CC2)C1 ZINC000948754093 1333663092 /nfs/dbraw/zinc/66/30/92/1333663092.db2.gz SUYAYPBGNIRRQG-ZBFHGGJFSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CCC[N@H+]([C@H](C)c3noc(C)n3)CC2)C1 ZINC000948754093 1333663095 /nfs/dbraw/zinc/66/30/95/1333663095.db2.gz SUYAYPBGNIRRQG-ZBFHGGJFSA-N 1 2 346.475 3.108 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cccc(C(C)C)n1 ZINC000948936360 1333740397 /nfs/dbraw/zinc/74/03/97/1333740397.db2.gz ORHSUKPSYDISTQ-NRFANRHFSA-N 1 2 347.462 3.167 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cccc(C(C)C)n1 ZINC000948936360 1333740398 /nfs/dbraw/zinc/74/03/98/1333740398.db2.gz ORHSUKPSYDISTQ-NRFANRHFSA-N 1 2 347.462 3.167 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1c(C)noc1CC ZINC000948987431 1333761303 /nfs/dbraw/zinc/76/13/03/1333761303.db2.gz XVCWHSMUHVKILD-KRWDZBQOSA-N 1 2 339.439 3.061 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1c(C)noc1CC ZINC000948987431 1333761305 /nfs/dbraw/zinc/76/13/05/1333761305.db2.gz XVCWHSMUHVKILD-KRWDZBQOSA-N 1 2 339.439 3.061 20 30 EGEDLO C=C1CCC(C(=O)N2CC[NH+](Cc3cccc(COC)c3)CC2)CC1 ZINC000950018453 1333993085 /nfs/dbraw/zinc/99/30/85/1333993085.db2.gz HUNXYXBTTZUWKV-UHFFFAOYSA-N 1 2 342.483 3.224 20 30 EGEDLO C=C1CCC(C(=O)N2CC[NH+](Cc3sc(C)nc3C)CC2)CC1 ZINC000950018397 1333993144 /nfs/dbraw/zinc/99/31/44/1333993144.db2.gz FWETZRFJCJSBPE-UHFFFAOYSA-N 1 2 333.501 3.151 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](C[C@H](O)c2ccc(CC)cc2)CC1 ZINC000950051718 1334003907 /nfs/dbraw/zinc/00/39/07/1334003907.db2.gz RYWQPTFBAXKTHE-PZJWPPBQSA-N 1 2 344.499 3.029 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[NH+](Cc3ccc4ncccc4c3)CC2)C1 ZINC000950383414 1334056663 /nfs/dbraw/zinc/05/66/63/1334056663.db2.gz WRBIUBYLLRFIIX-UHFFFAOYSA-N 1 2 335.451 3.235 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2c(Cl)oc3ccccc32)C1 ZINC000951361733 1334231498 /nfs/dbraw/zinc/23/14/98/1334231498.db2.gz IIBOHUUBYDLRRH-UHFFFAOYSA-N 1 2 330.815 3.256 20 30 EGEDLO Cc1cocc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1C ZINC000967707141 1335804702 /nfs/dbraw/zinc/80/47/02/1335804702.db2.gz DCCKAMAJWVBZEW-AUUYWEPGSA-N 1 2 337.423 3.100 20 30 EGEDLO Cc1cocc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)CC[C@H]1C ZINC000967707141 1335804707 /nfs/dbraw/zinc/80/47/07/1335804707.db2.gz DCCKAMAJWVBZEW-AUUYWEPGSA-N 1 2 337.423 3.100 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3sccc3[nH]2)C1 ZINC000968505818 1335945768 /nfs/dbraw/zinc/94/57/68/1335945768.db2.gz QWGQOSHLXVKSTF-YGRLFVJLSA-N 1 2 337.876 3.422 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3sccc3[nH]2)C1 ZINC000968505818 1335945769 /nfs/dbraw/zinc/94/57/69/1335945769.db2.gz QWGQOSHLXVKSTF-YGRLFVJLSA-N 1 2 337.876 3.422 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2OCC)C1 ZINC000968599560 1335979696 /nfs/dbraw/zinc/97/96/96/1335979696.db2.gz YTUKTBOXACLMQB-XJKSGUPXSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2OCC)C1 ZINC000968599560 1335979701 /nfs/dbraw/zinc/97/97/01/1335979701.db2.gz YTUKTBOXACLMQB-XJKSGUPXSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC000968628194 1335989163 /nfs/dbraw/zinc/98/91/63/1335989163.db2.gz ULVHRVWADOZRDD-SJKOYZFVSA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC000968628194 1335989168 /nfs/dbraw/zinc/98/91/68/1335989168.db2.gz ULVHRVWADOZRDD-SJKOYZFVSA-N 1 2 331.847 3.361 20 30 EGEDLO C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc3cc(F)ccc3s2)C1 ZINC000968641006 1335993172 /nfs/dbraw/zinc/99/31/72/1335993172.db2.gz WMYFBXNINUFEHW-IUODEOHRSA-N 1 2 330.428 3.114 20 30 EGEDLO C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc3cc(F)ccc3s2)C1 ZINC000968641006 1335993173 /nfs/dbraw/zinc/99/31/73/1335993173.db2.gz WMYFBXNINUFEHW-IUODEOHRSA-N 1 2 330.428 3.114 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc3n(c2)CCCC3)C1 ZINC000968713081 1336020262 /nfs/dbraw/zinc/02/02/62/1336020262.db2.gz JHDDGNMQVSXXOJ-GUYCJALGSA-N 1 2 335.879 3.017 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc3n(c2)CCCC3)C1 ZINC000968713081 1336020264 /nfs/dbraw/zinc/02/02/64/1336020264.db2.gz JHDDGNMQVSXXOJ-GUYCJALGSA-N 1 2 335.879 3.017 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(COC)o1 ZINC000968941623 1336097737 /nfs/dbraw/zinc/09/77/37/1336097737.db2.gz PMGXHVHHLYRTDN-CQSZACIVSA-N 1 2 340.851 3.153 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(COC)o1 ZINC000968941623 1336097738 /nfs/dbraw/zinc/09/77/38/1336097738.db2.gz PMGXHVHHLYRTDN-CQSZACIVSA-N 1 2 340.851 3.153 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1sccc1OC ZINC000969121921 1336150684 /nfs/dbraw/zinc/15/06/84/1336150684.db2.gz QTPNSURFHFSSTH-CYBMUJFWSA-N 1 2 342.892 3.484 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1sccc1OC ZINC000969121921 1336150685 /nfs/dbraw/zinc/15/06/85/1336150685.db2.gz QTPNSURFHFSSTH-CYBMUJFWSA-N 1 2 342.892 3.484 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]([NH2+]Cc2ncc(C(C)(C)C)o2)C1 ZINC000969831755 1336252241 /nfs/dbraw/zinc/25/22/41/1336252241.db2.gz KGKBRHIKJBFXKU-KUHUBIRLSA-N 1 2 333.476 3.265 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(C)c3ccccc3n2)C1 ZINC000969985944 1336269409 /nfs/dbraw/zinc/26/94/09/1336269409.db2.gz ULZRYANLTXWTRS-AWEZNQCLSA-N 1 2 343.858 3.346 20 30 EGEDLO C[C@H](NC(=O)c1occc1Cl)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970374368 1336299574 /nfs/dbraw/zinc/29/95/74/1336299574.db2.gz LPEANFQOOBWVBS-LBPRGKRZSA-N 1 2 343.814 3.055 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cccc(-c3cnco3)c2)C1 ZINC000970676334 1336332826 /nfs/dbraw/zinc/33/28/26/1336332826.db2.gz OPKONWDFEJZQED-CYBMUJFWSA-N 1 2 345.830 3.144 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2scnc2Cl)CC1 ZINC001006417674 1336502304 /nfs/dbraw/zinc/50/23/04/1336502304.db2.gz VTUVSBGBFGNQDL-UHFFFAOYSA-N 1 2 334.272 3.085 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccsc3)C2)cc1F ZINC001006680361 1336555967 /nfs/dbraw/zinc/55/59/67/1336555967.db2.gz SMYCKNBUTRCISV-MRXNPFEDSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccsc3)C2)cc1F ZINC001006680361 1336555970 /nfs/dbraw/zinc/55/59/70/1336555970.db2.gz SMYCKNBUTRCISV-MRXNPFEDSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CC=CCC3)C2)ccc1F ZINC001006720804 1336564370 /nfs/dbraw/zinc/56/43/70/1336564370.db2.gz IRTNXWDIJIPEJI-AEFFLSMTSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1cc(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3CC=CCC3)C2)ccc1F ZINC001006720804 1336564373 /nfs/dbraw/zinc/56/43/73/1336564373.db2.gz IRTNXWDIJIPEJI-AEFFLSMTSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2ccc3cccnc3c2)C1 ZINC001007624059 1336679879 /nfs/dbraw/zinc/67/98/79/1336679879.db2.gz ZGCAOFUEMHNNME-KRWDZBQOSA-N 1 2 343.858 3.110 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2ccc3cccnc3c2)C1 ZINC001007624059 1336679880 /nfs/dbraw/zinc/67/98/80/1336679880.db2.gz ZGCAOFUEMHNNME-KRWDZBQOSA-N 1 2 343.858 3.110 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc3ncccc32)C1 ZINC001008122592 1336774641 /nfs/dbraw/zinc/77/46/41/1336774641.db2.gz SRHVKSJIJIAQKI-CQSZACIVSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccc3ncccc32)C1 ZINC001008122592 1336774642 /nfs/dbraw/zinc/77/46/42/1336774642.db2.gz SRHVKSJIJIAQKI-CQSZACIVSA-N 1 2 329.831 3.182 20 30 EGEDLO C[C@]1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(C#N)ccc3F)C2)C=CCC1 ZINC001008228935 1336798316 /nfs/dbraw/zinc/79/83/16/1336798316.db2.gz GPOITHXIDNJDGB-PXNSSMCTSA-N 1 2 341.430 3.134 20 30 EGEDLO C[C@]1(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)C=CCC1 ZINC001008228935 1336798318 /nfs/dbraw/zinc/79/83/18/1336798318.db2.gz GPOITHXIDNJDGB-PXNSSMCTSA-N 1 2 341.430 3.134 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001008258238 1336806565 /nfs/dbraw/zinc/80/65/65/1336806565.db2.gz SIVHDNKVAWMOFF-RTBURBONSA-N 1 2 342.458 3.194 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001008258238 1336806567 /nfs/dbraw/zinc/80/65/67/1336806567.db2.gz SIVHDNKVAWMOFF-RTBURBONSA-N 1 2 342.458 3.194 20 30 EGEDLO CC1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)CC=CC1 ZINC001008426694 1336849616 /nfs/dbraw/zinc/84/96/16/1336849616.db2.gz GGYOBDNWRGHNIG-QGZVFWFLSA-N 1 2 341.430 3.134 20 30 EGEDLO CC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)CC=CC1 ZINC001008426694 1336849618 /nfs/dbraw/zinc/84/96/18/1336849618.db2.gz GGYOBDNWRGHNIG-QGZVFWFLSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3ccncc3c2)C1 ZINC001009102875 1336969602 /nfs/dbraw/zinc/96/96/02/1336969602.db2.gz KXVZCITZSCUXBJ-QGZVFWFLSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3ccncc3c2)C1 ZINC001009102875 1336969605 /nfs/dbraw/zinc/96/96/05/1336969605.db2.gz KXVZCITZSCUXBJ-QGZVFWFLSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@]2(C)CCOc3ccccc32)C1 ZINC001009228623 1336988945 /nfs/dbraw/zinc/98/89/45/1336988945.db2.gz ZKGAGKFKSXAMDV-HNAYVOBHSA-N 1 2 348.874 3.060 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@]2(C)CCOc3ccccc32)C1 ZINC001009228623 1336988947 /nfs/dbraw/zinc/98/89/47/1336988947.db2.gz ZKGAGKFKSXAMDV-HNAYVOBHSA-N 1 2 348.874 3.060 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001009654239 1337053803 /nfs/dbraw/zinc/05/38/03/1337053803.db2.gz BNVZVXXQFVNACQ-HNNXBMFYSA-N 1 2 332.875 3.430 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001009654239 1337053807 /nfs/dbraw/zinc/05/38/07/1337053807.db2.gz BNVZVXXQFVNACQ-HNNXBMFYSA-N 1 2 332.875 3.430 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001009681085 1337059471 /nfs/dbraw/zinc/05/94/71/1337059471.db2.gz KHYOWANLBBEZTK-SWLSCSKDSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001009681085 1337059474 /nfs/dbraw/zinc/05/94/74/1337059474.db2.gz KHYOWANLBBEZTK-SWLSCSKDSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(N(C)CC)cc2)C1 ZINC001009720397 1337064519 /nfs/dbraw/zinc/06/45/19/1337064519.db2.gz GKTXHCRNOIUVOJ-MRXNPFEDSA-N 1 2 335.879 3.089 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N(C)CC)cc2)C1 ZINC001009720397 1337064523 /nfs/dbraw/zinc/06/45/23/1337064523.db2.gz GKTXHCRNOIUVOJ-MRXNPFEDSA-N 1 2 335.879 3.089 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)s1 ZINC001009957927 1337122777 /nfs/dbraw/zinc/12/27/77/1337122777.db2.gz LYZYYPYZSJWDRT-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)s1 ZINC001009957927 1337122779 /nfs/dbraw/zinc/12/27/79/1337122779.db2.gz LYZYYPYZSJWDRT-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CC3=CCCCC3)C2)c(F)c1 ZINC001010383754 1337186807 /nfs/dbraw/zinc/18/68/07/1337186807.db2.gz YNRFMBIMEDWRNS-SFHVURJKSA-N 1 2 341.430 3.278 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CC3=CCCCC3)C2)c(F)c1 ZINC001010383754 1337186808 /nfs/dbraw/zinc/18/68/08/1337186808.db2.gz YNRFMBIMEDWRNS-SFHVURJKSA-N 1 2 341.430 3.278 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)C(F)=C3CCCC3)C2)c1 ZINC001010565838 1337223987 /nfs/dbraw/zinc/22/39/87/1337223987.db2.gz HJRWYKFMUFUFMG-INIZCTEOSA-N 1 2 345.393 3.185 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)C(F)=C3CCCC3)C2)c1 ZINC001010565838 1337223988 /nfs/dbraw/zinc/22/39/88/1337223988.db2.gz HJRWYKFMUFUFMG-INIZCTEOSA-N 1 2 345.393 3.185 20 30 EGEDLO Cc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)c1F ZINC001014530241 1337810307 /nfs/dbraw/zinc/81/03/07/1337810307.db2.gz IFTXEJZDIAWPHA-CYBMUJFWSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)c1F ZINC001014530241 1337810310 /nfs/dbraw/zinc/81/03/10/1337810310.db2.gz IFTXEJZDIAWPHA-CYBMUJFWSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1scc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1C ZINC001014562789 1337826081 /nfs/dbraw/zinc/82/60/81/1337826081.db2.gz MOLCVXNYXPEMAX-QGZVFWFLSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1scc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1C ZINC001014562789 1337826088 /nfs/dbraw/zinc/82/60/88/1337826088.db2.gz MOLCVXNYXPEMAX-QGZVFWFLSA-N 1 2 339.464 3.241 20 30 EGEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)C1(F)CCCC1 ZINC001015028811 1337994705 /nfs/dbraw/zinc/99/47/05/1337994705.db2.gz UCURQDITWFPPLT-QGZVFWFLSA-N 1 2 348.849 3.164 20 30 EGEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)C1(F)CCCC1 ZINC001015028811 1337994707 /nfs/dbraw/zinc/99/47/07/1337994707.db2.gz UCURQDITWFPPLT-QGZVFWFLSA-N 1 2 348.849 3.164 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c(C)s1 ZINC001015153792 1338037029 /nfs/dbraw/zinc/03/70/29/1338037029.db2.gz UVOOXPDVXZOYTD-QGZVFWFLSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c(C)s1 ZINC001015153792 1338037031 /nfs/dbraw/zinc/03/70/31/1338037031.db2.gz UVOOXPDVXZOYTD-QGZVFWFLSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)c(C)s1 ZINC001015154121 1338037036 /nfs/dbraw/zinc/03/70/36/1338037036.db2.gz XZSHMKVZYCODOO-SFHVURJKSA-N 1 2 338.476 3.221 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c(C)s1 ZINC001015154121 1338037038 /nfs/dbraw/zinc/03/70/38/1338037038.db2.gz XZSHMKVZYCODOO-SFHVURJKSA-N 1 2 338.476 3.221 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cccc(C)c2Cl)C1 ZINC001015241829 1338069316 /nfs/dbraw/zinc/06/93/16/1338069316.db2.gz ABWYIXIAIAUEFB-CQSZACIVSA-N 1 2 327.255 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cccc(C)c2Cl)C1 ZINC001015241829 1338069317 /nfs/dbraw/zinc/06/93/17/1338069317.db2.gz ABWYIXIAIAUEFB-CQSZACIVSA-N 1 2 327.255 3.134 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)ccc1F ZINC001015637840 1338222145 /nfs/dbraw/zinc/22/21/45/1338222145.db2.gz RGUBKTBSYCAUCS-SFHVURJKSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)ccc1F ZINC001015637840 1338222147 /nfs/dbraw/zinc/22/21/47/1338222147.db2.gz RGUBKTBSYCAUCS-SFHVURJKSA-N 1 2 337.398 3.010 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)sc3C)C2)CC1 ZINC001015659603 1338238626 /nfs/dbraw/zinc/23/86/26/1338238626.db2.gz FENWLIKMDYOEJV-INIZCTEOSA-N 1 2 333.501 3.197 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)sc3C)C2)CC1 ZINC001015659603 1338238629 /nfs/dbraw/zinc/23/86/29/1338238629.db2.gz FENWLIKMDYOEJV-INIZCTEOSA-N 1 2 333.501 3.197 20 30 EGEDLO CC(C)c1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)nc1 ZINC001015704769 1338269043 /nfs/dbraw/zinc/26/90/43/1338269043.db2.gz DYBOFDYNRZJFQI-LJQANCHMSA-N 1 2 348.450 3.081 20 30 EGEDLO CC(C)c1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)nc1 ZINC001015704769 1338269044 /nfs/dbraw/zinc/26/90/44/1338269044.db2.gz DYBOFDYNRZJFQI-LJQANCHMSA-N 1 2 348.450 3.081 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2ccsc2Cl)C1 ZINC001015795900 1338315355 /nfs/dbraw/zinc/31/53/55/1338315355.db2.gz ZGDVAMSAYWXFJZ-CQSZACIVSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2ccsc2Cl)C1 ZINC001015795900 1338315358 /nfs/dbraw/zinc/31/53/58/1338315358.db2.gz ZGDVAMSAYWXFJZ-CQSZACIVSA-N 1 2 345.855 3.277 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)cs1 ZINC001015851938 1338334065 /nfs/dbraw/zinc/33/40/65/1338334065.db2.gz NPLGRVJXLJWYIP-MRXNPFEDSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)cs1 ZINC001015851938 1338334069 /nfs/dbraw/zinc/33/40/69/1338334069.db2.gz NPLGRVJXLJWYIP-MRXNPFEDSA-N 1 2 343.427 3.072 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C3(F)CCCCC3)C2)c(F)c1 ZINC001015944428 1338370303 /nfs/dbraw/zinc/37/03/03/1338370303.db2.gz KQZJFGWVNBDWJT-INIZCTEOSA-N 1 2 347.409 3.060 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C3(F)CCCCC3)C2)c(F)c1 ZINC001015944428 1338370306 /nfs/dbraw/zinc/37/03/06/1338370306.db2.gz KQZJFGWVNBDWJT-INIZCTEOSA-N 1 2 347.409 3.060 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C(CC)CC)c2C)C1 ZINC001015968830 1338383935 /nfs/dbraw/zinc/38/39/35/1338383935.db2.gz IAMPNDUHYVOSKU-CQSZACIVSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C(CC)CC)c2C)C1 ZINC001015968830 1338383936 /nfs/dbraw/zinc/38/39/36/1338383936.db2.gz IAMPNDUHYVOSKU-CQSZACIVSA-N 1 2 338.883 3.109 20 30 EGEDLO CCc1ccsc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001016327156 1338551119 /nfs/dbraw/zinc/55/11/19/1338551119.db2.gz ITLLXIKUYYHWHG-GOSISDBHSA-N 1 2 338.476 3.166 20 30 EGEDLO CCc1ccsc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001016327156 1338551123 /nfs/dbraw/zinc/55/11/23/1338551123.db2.gz ITLLXIKUYYHWHG-GOSISDBHSA-N 1 2 338.476 3.166 20 30 EGEDLO CC1(C)CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001016375726 1338578487 /nfs/dbraw/zinc/57/84/87/1338578487.db2.gz YGEDRHTXSQSOIV-OALUTQOASA-N 1 2 339.483 3.465 20 30 EGEDLO CC1(C)CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001016375726 1338578489 /nfs/dbraw/zinc/57/84/89/1338578489.db2.gz YGEDRHTXSQSOIV-OALUTQOASA-N 1 2 339.483 3.465 20 30 EGEDLO CC(C)c1occc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001016378164 1338581348 /nfs/dbraw/zinc/58/13/48/1338581348.db2.gz NITQYECBJIAKLB-SFHVURJKSA-N 1 2 336.435 3.259 20 30 EGEDLO CC(C)c1occc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001016378164 1338581351 /nfs/dbraw/zinc/58/13/51/1338581351.db2.gz NITQYECBJIAKLB-SFHVURJKSA-N 1 2 336.435 3.259 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccsc2)c1 ZINC001017333882 1339328932 /nfs/dbraw/zinc/32/89/32/1339328932.db2.gz SQCOBKDOGWKTQP-HDICACEKSA-N 1 2 337.448 3.109 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccsc2)c1 ZINC001017333882 1339328936 /nfs/dbraw/zinc/32/89/36/1339328936.db2.gz SQCOBKDOGWKTQP-HDICACEKSA-N 1 2 337.448 3.109 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2ccccc2)nc1 ZINC001018095346 1339501062 /nfs/dbraw/zinc/50/10/62/1339501062.db2.gz JVBCTFANSLINSX-BGYRXZFFSA-N 1 2 345.446 3.061 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2ccccc2)nc1 ZINC001018095346 1339501067 /nfs/dbraw/zinc/50/10/67/1339501067.db2.gz JVBCTFANSLINSX-BGYRXZFFSA-N 1 2 345.446 3.061 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(c2ccccc2C)CCC1 ZINC001018214807 1339536054 /nfs/dbraw/zinc/53/60/54/1339536054.db2.gz WZNOHJTVUDPRJM-KDURUIRLSA-N 1 2 336.479 3.115 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(c2ccccc2C)CCC1 ZINC001018214807 1339536055 /nfs/dbraw/zinc/53/60/55/1339536055.db2.gz WZNOHJTVUDPRJM-KDURUIRLSA-N 1 2 336.479 3.115 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cscc1C(F)(F)F ZINC001018354820 1339588538 /nfs/dbraw/zinc/58/85/38/1339588538.db2.gz UUOJEZUHXXCTMT-TXEJJXNPSA-N 1 2 342.386 3.079 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cscc1C(F)(F)F ZINC001018354820 1339588539 /nfs/dbraw/zinc/58/85/39/1339588539.db2.gz UUOJEZUHXXCTMT-TXEJJXNPSA-N 1 2 342.386 3.079 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc([C@@H](C)CC)no1 ZINC001028187135 1340474999 /nfs/dbraw/zinc/47/49/99/1340474999.db2.gz CVVGOKXICLIMLY-AAEUAGOBSA-N 1 2 325.840 3.135 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc([C@@H](C)CC)no1 ZINC001028187135 1340475001 /nfs/dbraw/zinc/47/50/01/1340475001.db2.gz CVVGOKXICLIMLY-AAEUAGOBSA-N 1 2 325.840 3.135 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1oc(CC(C)C)nc1C ZINC001028189840 1340475897 /nfs/dbraw/zinc/47/58/97/1340475897.db2.gz IPMYXUAZNYFUOV-CQSZACIVSA-N 1 2 339.867 3.128 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1oc(CC(C)C)nc1C ZINC001028189840 1340475898 /nfs/dbraw/zinc/47/58/98/1340475898.db2.gz IPMYXUAZNYFUOV-CQSZACIVSA-N 1 2 339.867 3.128 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1oc(C(C)C)nc1C ZINC001028189986 1340475982 /nfs/dbraw/zinc/47/59/82/1340475982.db2.gz KVYHZYVGBHWHQJ-CYBMUJFWSA-N 1 2 325.840 3.053 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1oc(C(C)C)nc1C ZINC001028189986 1340475986 /nfs/dbraw/zinc/47/59/86/1340475986.db2.gz KVYHZYVGBHWHQJ-CYBMUJFWSA-N 1 2 325.840 3.053 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnc(C2CCCC2)n1 ZINC001028234180 1340496636 /nfs/dbraw/zinc/49/66/36/1340496636.db2.gz RWINQDOOVQBFKV-OAHLLOKOSA-N 1 2 348.878 3.081 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccnc(C2CCCC2)n1 ZINC001028234180 1340496638 /nfs/dbraw/zinc/49/66/38/1340496638.db2.gz RWINQDOOVQBFKV-OAHLLOKOSA-N 1 2 348.878 3.081 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001028244797 1340507337 /nfs/dbraw/zinc/50/73/37/1340507337.db2.gz LGWOQUKBNAQODD-KBPBESRZSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001028244797 1340507339 /nfs/dbraw/zinc/50/73/39/1340507339.db2.gz LGWOQUKBNAQODD-KBPBESRZSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc(C)s1 ZINC001029419581 1340986162 /nfs/dbraw/zinc/98/61/62/1340986162.db2.gz GODQNYJHXHSAJR-GASCZTMLSA-N 1 2 333.501 3.229 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc(C)s1 ZINC001029419581 1340986163 /nfs/dbraw/zinc/98/61/63/1340986163.db2.gz GODQNYJHXHSAJR-GASCZTMLSA-N 1 2 333.501 3.229 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1cnc(C)cn1 ZINC001029454271 1340993623 /nfs/dbraw/zinc/99/36/23/1340993623.db2.gz 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1341708614 /nfs/dbraw/zinc/70/86/14/1341708614.db2.gz GYCLEJZWPZULBC-SFHVURJKSA-N 1 2 343.446 3.166 20 30 EGEDLO CN(C(=O)c1sccc1F)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033057478 1341710392 /nfs/dbraw/zinc/71/03/92/1341710392.db2.gz KDGCEXOMABEATQ-OAHLLOKOSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C(=O)c1sccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033057478 1341710393 /nfs/dbraw/zinc/71/03/93/1341710393.db2.gz KDGCEXOMABEATQ-OAHLLOKOSA-N 1 2 343.427 3.105 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3ccc(OC)cc32)C1 ZINC001033149365 1341740092 /nfs/dbraw/zinc/74/00/92/1341740092.db2.gz SPULSIRHQUNETI-DOTOQJQBSA-N 1 2 348.874 3.010 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3ccc(OC)cc32)C1 ZINC001033149365 1341740093 /nfs/dbraw/zinc/74/00/93/1341740093.db2.gz SPULSIRHQUNETI-DOTOQJQBSA-N 1 2 348.874 3.010 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccnc(-c3ccco3)c2)C1 ZINC001033177081 1341746514 /nfs/dbraw/zinc/74/65/14/1341746514.db2.gz 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1341977951 /nfs/dbraw/zinc/97/79/51/1341977951.db2.gz DNTAHZVQGAUTMY-IBGZPJMESA-N 1 2 343.446 3.310 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc3c2COCC3)C1 ZINC001033855525 1342046346 /nfs/dbraw/zinc/04/63/46/1342046346.db2.gz BEFFMTZWTLKDEQ-MRXNPFEDSA-N 1 2 348.874 3.048 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc3c2COCC3)C1 ZINC001033855525 1342046347 /nfs/dbraw/zinc/04/63/47/1342046347.db2.gz BEFFMTZWTLKDEQ-MRXNPFEDSA-N 1 2 348.874 3.048 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCc3cccnc32)C1 ZINC001033932483 1342096493 /nfs/dbraw/zinc/09/64/93/1342096493.db2.gz OTQLVGOYTJYNHM-IAGOWNOFSA-N 1 2 347.890 3.177 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCc3cccnc32)C1 ZINC001033932483 1342096497 /nfs/dbraw/zinc/09/64/97/1342096497.db2.gz OTQLVGOYTJYNHM-IAGOWNOFSA-N 1 2 347.890 3.177 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)C2CC3(CC3)C2)C1 ZINC001033955119 1342111919 /nfs/dbraw/zinc/11/19/19/1342111919.db2.gz IYPAWLDQVPGBMJ-AWEZNQCLSA-N 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DDQYAFBVNCEPNE-KGLIPLIRSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(-c3cccs3)o2)C1 ZINC001035595128 1343095349 /nfs/dbraw/zinc/09/53/49/1343095349.db2.gz CLIWJUOYZQKOOL-AWEZNQCLSA-N 1 2 346.452 3.015 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(-c3cccs3)o2)C1 ZINC001035595128 1343095353 /nfs/dbraw/zinc/09/53/53/1343095353.db2.gz CLIWJUOYZQKOOL-AWEZNQCLSA-N 1 2 346.452 3.015 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc3c(cccc3F)s2)C1 ZINC001035597365 1343097506 /nfs/dbraw/zinc/09/75/06/1343097506.db2.gz KRWAWUJETLNFCV-ZDUSSCGKSA-N 1 2 348.443 3.047 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc3c(cccc3F)s2)C1 ZINC001035597365 1343097511 /nfs/dbraw/zinc/09/75/11/1343097511.db2.gz KRWAWUJETLNFCV-ZDUSSCGKSA-N 1 2 348.443 3.047 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cc3ncccc3o1)CC2 ZINC001035751382 1343170398 /nfs/dbraw/zinc/17/03/98/1343170398.db2.gz TWFRWUCFWWAQPA-UHFFFAOYSA-N 1 2 345.830 3.118 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CC[C@@H]2CNC(=O)C2=CCCCCC2)ccc1F ZINC001038193285 1344317639 /nfs/dbraw/zinc/31/76/39/1344317639.db2.gz IISGVAYIBQSGBF-GOSISDBHSA-N 1 2 341.430 3.278 20 30 EGEDLO N#Cc1cc(C[N@H+]2CC[C@@H]2CNC(=O)C2=CCCCCC2)ccc1F ZINC001038193285 1344317644 /nfs/dbraw/zinc/31/76/44/1344317644.db2.gz IISGVAYIBQSGBF-GOSISDBHSA-N 1 2 341.430 3.278 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1(C)CC1 ZINC001039406977 1345051818 /nfs/dbraw/zinc/05/18/18/1345051818.db2.gz SBBDQPDGSKJDHK-KGLIPLIRSA-N 1 2 341.293 3.151 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1(C)CC1 ZINC001039406977 1345051822 /nfs/dbraw/zinc/05/18/22/1345051822.db2.gz SBBDQPDGSKJDHK-KGLIPLIRSA-N 1 2 341.293 3.151 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1CCC ZINC001039421696 1345060651 /nfs/dbraw/zinc/06/06/51/1345060651.db2.gz NZKWBNAAFFJTMT-CABCVRRESA-N 1 2 335.879 3.399 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1CCC ZINC001039421696 1345060653 /nfs/dbraw/zinc/06/06/53/1345060653.db2.gz NZKWBNAAFFJTMT-CABCVRRESA-N 1 2 335.879 3.399 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1C1CC1 ZINC001039425697 1345062761 /nfs/dbraw/zinc/06/27/61/1345062761.db2.gz QGDYXHKQVHBWIO-CABCVRRESA-N 1 2 333.863 3.324 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1C1CC1 ZINC001039425697 1345062762 /nfs/dbraw/zinc/06/27/62/1345062762.db2.gz QGDYXHKQVHBWIO-CABCVRRESA-N 1 2 333.863 3.324 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2scnc2C)C1 ZINC001039906166 1345242974 /nfs/dbraw/zinc/24/29/74/1345242974.db2.gz HOTZQEYJEZMTAO-IYBDPMFKSA-N 1 2 345.512 3.373 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2scnc2C)C1 ZINC001039906166 1345242977 /nfs/dbraw/zinc/24/29/77/1345242977.db2.gz HOTZQEYJEZMTAO-IYBDPMFKSA-N 1 2 345.512 3.373 20 30 EGEDLO C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001040216802 1345379026 /nfs/dbraw/zinc/37/90/26/1345379026.db2.gz QBAGDPLJLMIIAR-ZFWWWQNUSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001040216802 1345379029 /nfs/dbraw/zinc/37/90/29/1345379029.db2.gz QBAGDPLJLMIIAR-ZFWWWQNUSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001040216802 1345379031 /nfs/dbraw/zinc/37/90/31/1345379031.db2.gz QBAGDPLJLMIIAR-ZFWWWQNUSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001040216802 1345379034 /nfs/dbraw/zinc/37/90/34/1345379034.db2.gz QBAGDPLJLMIIAR-ZFWWWQNUSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(Cl)o3)C[C@@H]21 ZINC001041942638 1345904396 /nfs/dbraw/zinc/90/43/96/1345904396.db2.gz OMXHKAMEBRUANB-RYUDHWBXSA-N 1 2 329.227 3.222 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(Cl)o3)C[C@@H]21 ZINC001041942638 1345904397 /nfs/dbraw/zinc/90/43/97/1345904397.db2.gz OMXHKAMEBRUANB-RYUDHWBXSA-N 1 2 329.227 3.222 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)C(F)=C(C)C)C[C@@H]21 ZINC001042012490 1345925313 /nfs/dbraw/zinc/92/53/13/1345925313.db2.gz HZULZBHDLCEDPN-OLZOCXBDSA-N 1 2 345.256 3.081 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(F)=C(C)C)C[C@@H]21 ZINC001042012490 1345925314 /nfs/dbraw/zinc/92/53/14/1345925314.db2.gz HZULZBHDLCEDPN-OLZOCXBDSA-N 1 2 345.256 3.081 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3ncoc3C(C)C)C[C@H]21 ZINC001042305588 1346025621 /nfs/dbraw/zinc/02/56/21/1346025621.db2.gz ZYQBNTHKGPVGDS-UONOGXRCSA-N 1 2 337.851 3.087 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3ncoc3C(C)C)C[C@H]21 ZINC001042305588 1346025624 /nfs/dbraw/zinc/02/56/24/1346025624.db2.gz ZYQBNTHKGPVGDS-UONOGXRCSA-N 1 2 337.851 3.087 20 30 EGEDLO C=C1CCC(C(=O)N(C)C2C[NH+](CCO[C@H]3CCCC[C@H]3C)C2)CC1 ZINC001043758775 1346204990 /nfs/dbraw/zinc/20/49/90/1346204990.db2.gz AKJBGVLMZHIZMX-XLIONFOSSA-N 1 2 348.531 3.471 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+]([C@@H](C)c3cccc(OC)c3)C2)C1 ZINC001043812262 1346212777 /nfs/dbraw/zinc/21/27/77/1346212777.db2.gz XOZVXMOEOVCVQS-HNNXBMFYSA-N 1 2 328.456 3.255 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[NH2+]Cc1nc(CCCC)no1 ZINC001045148852 1346506517 /nfs/dbraw/zinc/50/65/17/1346506517.db2.gz IDSDWMZSBBMKSM-HNNXBMFYSA-N 1 2 348.491 3.095 20 30 EGEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(Br)ccc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225675771 1375142027 /nfs/dbraw/zinc/14/20/27/1375142027.db2.gz YREKOEGMOAPAQG-LSVRBPJHSA-N 1 2 344.636 3.094 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1cc(C3CC3)[nH]n1)C2 ZINC001045968065 1346803376 /nfs/dbraw/zinc/80/33/76/1346803376.db2.gz IIQFAVSOIFFGHZ-FQEVSTJZSA-N 1 2 342.487 3.181 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)c1cc(C3CC3)[nH]n1)C2 ZINC001045968065 1346803378 /nfs/dbraw/zinc/80/33/78/1346803378.db2.gz IIQFAVSOIFFGHZ-FQEVSTJZSA-N 1 2 342.487 3.181 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)c2ccccc2C)C1 ZINC001046115573 1346853430 /nfs/dbraw/zinc/85/34/30/1346853430.db2.gz WCQYMWAGNZQKNS-INIZCTEOSA-N 1 2 337.261 3.098 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)c2ccccc2C)C1 ZINC001046115573 1346853431 /nfs/dbraw/zinc/85/34/31/1346853431.db2.gz WCQYMWAGNZQKNS-INIZCTEOSA-N 1 2 337.261 3.098 20 30 EGEDLO CC1CC(C(=O)N[C@@]2(C)CC[N@H+](CC#Cc3ccccc3Cl)C2)C1 ZINC001046226559 1346899667 /nfs/dbraw/zinc/89/96/67/1346899667.db2.gz JCZBXKWMZMCTNY-LAGYLCCXSA-N 1 2 344.886 3.318 20 30 EGEDLO CC1CC(C(=O)N[C@@]2(C)CC[N@@H+](CC#Cc3ccccc3Cl)C2)C1 ZINC001046226559 1346899669 /nfs/dbraw/zinc/89/96/69/1346899669.db2.gz JCZBXKWMZMCTNY-LAGYLCCXSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc3c(c2)C(C)(C)CO3)C1 ZINC001046478018 1346988605 /nfs/dbraw/zinc/98/86/05/1346988605.db2.gz WMIXYFQKOLJNLA-IBGZPJMESA-N 1 2 348.874 3.303 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc3c(c2)C(C)(C)CO3)C1 ZINC001046478018 1346988606 /nfs/dbraw/zinc/98/86/06/1346988606.db2.gz WMIXYFQKOLJNLA-IBGZPJMESA-N 1 2 348.874 3.303 20 30 EGEDLO C=Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](CC(=C)Br)C2)cc1 ZINC001046647877 1347048306 /nfs/dbraw/zinc/04/83/06/1347048306.db2.gz RCFPWTHWILOCEB-QGZVFWFLSA-N 1 2 349.272 3.432 20 30 EGEDLO C=Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](CC(=C)Br)C2)cc1 ZINC001046647877 1347048308 /nfs/dbraw/zinc/04/83/08/1347048308.db2.gz RCFPWTHWILOCEB-QGZVFWFLSA-N 1 2 349.272 3.432 20 30 EGEDLO C=C1CCC(C(=O)N[C@@]2(C)CC[N@@H+](Cc3nc(C)cs3)C2)CC1 ZINC001046594981 1347031047 /nfs/dbraw/zinc/03/10/47/1347031047.db2.gz UBDAMJHJZCFTDA-SFHVURJKSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C1CCC(C(=O)N[C@@]2(C)CC[N@H+](Cc3nc(C)cs3)C2)CC1 ZINC001046594981 1347031049 /nfs/dbraw/zinc/03/10/49/1347031049.db2.gz UBDAMJHJZCFTDA-SFHVURJKSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(N3CC=CC3)cc2)C1 ZINC001046620355 1347041073 /nfs/dbraw/zinc/04/10/73/1347041073.db2.gz ORZGIESNHGNWMH-LJQANCHMSA-N 1 2 345.874 3.010 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(N3CC=CC3)cc2)C1 ZINC001046620355 1347041077 /nfs/dbraw/zinc/04/10/77/1347041077.db2.gz ORZGIESNHGNWMH-LJQANCHMSA-N 1 2 345.874 3.010 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001046633033 1347043417 /nfs/dbraw/zinc/04/34/17/1347043417.db2.gz MFFQHYXELPVCMI-MDYRTPRTSA-N 1 2 344.886 3.318 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001046633033 1347043418 /nfs/dbraw/zinc/04/34/18/1347043418.db2.gz MFFQHYXELPVCMI-MDYRTPRTSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001046700026 1347065928 /nfs/dbraw/zinc/06/59/28/1347065928.db2.gz VVVLJRAUYMYYGD-SCTDSRPQSA-N 1 2 332.875 3.432 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001046700026 1347065929 /nfs/dbraw/zinc/06/59/29/1347065929.db2.gz VVVLJRAUYMYYGD-SCTDSRPQSA-N 1 2 332.875 3.432 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cncc3ccccc32)C1 ZINC001046855122 1347131335 /nfs/dbraw/zinc/13/13/35/1347131335.db2.gz PZJQLQNBOWFKCG-GOSISDBHSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cncc3ccccc32)C1 ZINC001046855122 1347131336 /nfs/dbraw/zinc/13/13/36/1347131336.db2.gz PZJQLQNBOWFKCG-GOSISDBHSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)C2C=CC=CC=C2)C1 ZINC001046946267 1347160160 /nfs/dbraw/zinc/16/01/60/1347160160.db2.gz VBOPYCKTMHZSPS-OAHLLOKOSA-N 1 2 342.817 3.111 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2C=CC=CC=C2)C1 ZINC001046946267 1347160161 /nfs/dbraw/zinc/16/01/61/1347160161.db2.gz VBOPYCKTMHZSPS-OAHLLOKOSA-N 1 2 342.817 3.111 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001046960565 1347167088 /nfs/dbraw/zinc/16/70/88/1347167088.db2.gz MQGJWODGUFAJAH-UMVBOHGHSA-N 1 2 332.822 3.003 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001046960565 1347167096 /nfs/dbraw/zinc/16/70/96/1347167096.db2.gz MQGJWODGUFAJAH-UMVBOHGHSA-N 1 2 332.822 3.003 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC1CC1 ZINC001049284791 1347769927 /nfs/dbraw/zinc/76/99/27/1347769927.db2.gz JCZKRIUECFUBEQ-MOPGFXCFSA-N 1 2 341.430 3.063 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC1CC1 ZINC001049284791 1347769928 /nfs/dbraw/zinc/76/99/28/1347769928.db2.gz JCZKRIUECFUBEQ-MOPGFXCFSA-N 1 2 341.430 3.063 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c(C)noc1C1CC1 ZINC001049597933 1347929856 /nfs/dbraw/zinc/92/98/56/1347929856.db2.gz HMOSVUOHSWIABZ-LSDHHAIUSA-N 1 2 349.862 3.292 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c(C)noc1C1CC1 ZINC001049597933 1347929857 /nfs/dbraw/zinc/92/98/57/1347929857.db2.gz HMOSVUOHSWIABZ-LSDHHAIUSA-N 1 2 349.862 3.292 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1nc(Cl)cs1 ZINC001049669804 1347965227 /nfs/dbraw/zinc/96/52/27/1347965227.db2.gz AOBRQHOPEVTMMM-GHMZBOCLSA-N 1 2 346.283 3.228 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1nc(Cl)cs1 ZINC001049669804 1347965229 /nfs/dbraw/zinc/96/52/29/1347965229.db2.gz AOBRQHOPEVTMMM-GHMZBOCLSA-N 1 2 346.283 3.228 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1nccn1CC ZINC001049689823 1347973221 /nfs/dbraw/zinc/97/32/21/1347973221.db2.gz BMFHSNUVHLMQJU-MBOZVWFJSA-N 1 2 344.503 3.071 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1nccn1CC ZINC001049689823 1347973223 /nfs/dbraw/zinc/97/32/23/1347973223.db2.gz BMFHSNUVHLMQJU-MBOZVWFJSA-N 1 2 344.503 3.071 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1cscn1 ZINC001049699628 1347979095 /nfs/dbraw/zinc/97/90/95/1347979095.db2.gz KRNLSRWCVPXPPB-XYJFISCASA-N 1 2 333.501 3.311 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1cscn1 ZINC001049699628 1347979097 /nfs/dbraw/zinc/97/90/97/1347979097.db2.gz KRNLSRWCVPXPPB-XYJFISCASA-N 1 2 333.501 3.311 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ncoc1C(C)C ZINC001049833555 1348046561 /nfs/dbraw/zinc/04/65/61/1348046561.db2.gz DLQYWLFPUCQAHA-UONOGXRCSA-N 1 2 337.851 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ncoc1C(C)C ZINC001049833555 1348046563 /nfs/dbraw/zinc/04/65/63/1348046563.db2.gz DLQYWLFPUCQAHA-UONOGXRCSA-N 1 2 337.851 3.229 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ncoc1C(C)C ZINC001049833554 1348046600 /nfs/dbraw/zinc/04/66/00/1348046600.db2.gz DLQYWLFPUCQAHA-KGLIPLIRSA-N 1 2 337.851 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ncoc1C(C)C ZINC001049833554 1348046602 /nfs/dbraw/zinc/04/66/02/1348046602.db2.gz DLQYWLFPUCQAHA-KGLIPLIRSA-N 1 2 337.851 3.229 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1sc(C)nc1C ZINC001049887381 1348091331 /nfs/dbraw/zinc/09/13/31/1348091331.db2.gz WLMXOZSUYCVBGM-KBPBESRZSA-N 1 2 339.892 3.191 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1sc(C)nc1C ZINC001049887381 1348091335 /nfs/dbraw/zinc/09/13/35/1348091335.db2.gz WLMXOZSUYCVBGM-KBPBESRZSA-N 1 2 339.892 3.191 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1sc(C)nc1C ZINC001049887382 1348091438 /nfs/dbraw/zinc/09/14/38/1348091438.db2.gz WLMXOZSUYCVBGM-KGLIPLIRSA-N 1 2 339.892 3.191 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1sc(C)nc1C ZINC001049887382 1348091436 /nfs/dbraw/zinc/09/14/36/1348091436.db2.gz WLMXOZSUYCVBGM-KGLIPLIRSA-N 1 2 339.892 3.191 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1c(C)nsc1C ZINC001049919076 1348111917 /nfs/dbraw/zinc/11/19/17/1348111917.db2.gz TZDTXFUDDTUJMC-KBPBESRZSA-N 1 2 339.892 3.191 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1c(C)nsc1C ZINC001049919076 1348111921 /nfs/dbraw/zinc/11/19/21/1348111921.db2.gz TZDTXFUDDTUJMC-KBPBESRZSA-N 1 2 339.892 3.191 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCCCC[C@@H](Nc3cc[nH+]c(C)n3)C2)C1 ZINC001049962293 1348134972 /nfs/dbraw/zinc/13/49/72/1348134972.db2.gz KCMQIGWMNBYERB-MRXNPFEDSA-N 1 2 328.460 3.324 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC2(C1)CC[NH+]([C@@H](C)c1csnn1)CC2 ZINC001050616515 1348303874 /nfs/dbraw/zinc/30/38/74/1348303874.db2.gz BFYIKPBVGJOWEF-AWEZNQCLSA-N 1 2 348.516 3.126 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001051042726 1348386172 /nfs/dbraw/zinc/38/61/72/1348386172.db2.gz HHYVBEKPCDWYNH-KRWDZBQOSA-N 1 2 336.520 3.232 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001051042726 1348386174 /nfs/dbraw/zinc/38/61/74/1348386174.db2.gz HHYVBEKPCDWYNH-KRWDZBQOSA-N 1 2 336.520 3.232 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C(C)(C)C)oc1C ZINC001051135539 1348396937 /nfs/dbraw/zinc/39/69/37/1348396937.db2.gz OKDYZEYCSOEBRZ-INIZCTEOSA-N 1 2 348.487 3.282 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C(C)(C)C)oc1C ZINC001051135539 1348396939 /nfs/dbraw/zinc/39/69/39/1348396939.db2.gz OKDYZEYCSOEBRZ-INIZCTEOSA-N 1 2 348.487 3.282 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)c(F)cc2F)C1 ZINC001079938057 1357430589 /nfs/dbraw/zinc/43/05/89/1357430589.db2.gz NKKRJALXEYQCJX-MEBBXXQBSA-N 1 2 328.790 3.076 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)c(F)cc2F)C1 ZINC001079938057 1357430592 /nfs/dbraw/zinc/43/05/92/1357430592.db2.gz NKKRJALXEYQCJX-MEBBXXQBSA-N 1 2 328.790 3.076 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCOC2(C[NH+](Cc3ccccc3C)C2)C1 ZINC001053409058 1349023161 /nfs/dbraw/zinc/02/31/61/1349023161.db2.gz TZHISLDRHZXZTR-FQEVSTJZSA-N 1 2 342.483 3.011 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc3sccc3s1)O2 ZINC001053618120 1349079321 /nfs/dbraw/zinc/07/93/21/1349079321.db2.gz PLZRIBCRQHZRCO-GFCCVEGCSA-N 1 2 348.493 3.112 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(CCC)cc1)O2 ZINC001053654281 1349087238 /nfs/dbraw/zinc/08/72/38/1349087238.db2.gz IBUTWHLGVWZTTJ-IBGZPJMESA-N 1 2 342.483 3.178 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)C13CC(C(C)(C)C)(C1)C3)O2 ZINC001053701614 1349098459 /nfs/dbraw/zinc/09/84/59/1349098459.db2.gz YZTGYEFBARJKCE-DZIBYMRMSA-N 1 2 346.515 3.129 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(CCCC)cc1)CO2 ZINC001053863639 1349119492 /nfs/dbraw/zinc/11/94/92/1349119492.db2.gz ORFACSLGVVVDLN-LJQANCHMSA-N 1 2 342.483 3.178 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2COC3(C[NH+]([C@@H](C)c4ccccc4)C3)C2)C1 ZINC001053917108 1349123538 /nfs/dbraw/zinc/12/35/38/1349123538.db2.gz ZZRJIWPFCYUKKO-FUHWJXTLSA-N 1 2 340.467 3.063 20 30 EGEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1c(C)cccc1C ZINC001054053458 1349140437 /nfs/dbraw/zinc/14/04/37/1349140437.db2.gz VINQVYVOOKFZJY-OAQYLSRUSA-N 1 2 346.474 3.483 20 30 EGEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1c(C)cccc1C ZINC001054053458 1349140439 /nfs/dbraw/zinc/14/04/39/1349140439.db2.gz VINQVYVOOKFZJY-OAQYLSRUSA-N 1 2 346.474 3.483 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3[C@@H]4CCCCCC[C@@H]43)cc2C1 ZINC001054283784 1349285003 /nfs/dbraw/zinc/28/50/03/1349285003.db2.gz QJUHYJDDFJQXGJ-AERCQKQUSA-N 1 2 336.479 3.468 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3[C@@H]4CCCCCC[C@@H]43)cc2C1 ZINC001054283784 1349285005 /nfs/dbraw/zinc/28/50/05/1349285005.db2.gz QJUHYJDDFJQXGJ-AERCQKQUSA-N 1 2 336.479 3.468 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc([C@@H](C)CC)no3)cc2C1 ZINC001054284678 1349286517 /nfs/dbraw/zinc/28/65/17/1349286517.db2.gz CABZJEMBUHBKBL-AWEZNQCLSA-N 1 2 337.423 3.067 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc([C@@H](C)CC)no3)cc2C1 ZINC001054284678 1349286520 /nfs/dbraw/zinc/28/65/20/1349286520.db2.gz CABZJEMBUHBKBL-AWEZNQCLSA-N 1 2 337.423 3.067 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@@H](N(C)c3nc(C)[nH+]c(C)c3C)C2)CC1 ZINC001057014974 1349975150 /nfs/dbraw/zinc/97/51/50/1349975150.db2.gz YSVXSTCKUXKZDV-GOSISDBHSA-N 1 2 342.487 3.185 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc3c(F)cccc3c2)C1 ZINC001080140784 1357499861 /nfs/dbraw/zinc/49/98/61/1357499861.db2.gz DZOPKPRXIRPHTH-BDJLRTHQSA-N 1 2 347.821 3.177 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc3c(F)cccc3c2)C1 ZINC001080140784 1357499864 /nfs/dbraw/zinc/49/98/64/1357499864.db2.gz DZOPKPRXIRPHTH-BDJLRTHQSA-N 1 2 347.821 3.177 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H](CN(C)c3cc[nH+]c(C)n3)C2)CC1 ZINC001058702985 1350289711 /nfs/dbraw/zinc/28/97/11/1350289711.db2.gz GSENCIVSDCTEIP-KRWDZBQOSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001061243325 1351326341 /nfs/dbraw/zinc/32/63/41/1351326341.db2.gz BZPLQNXEUIDFDL-INIZCTEOSA-N 1 2 342.487 3.302 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@@H](Nc3cc[nH+]c(C)n3)[C@@H](CC)C2)C1 ZINC001064415659 1352574247 /nfs/dbraw/zinc/57/42/47/1352574247.db2.gz XXKSDLHCTMXTCZ-JKSUJKDBSA-N 1 2 328.460 3.180 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001065895022 1352913317 /nfs/dbraw/zinc/91/33/17/1352913317.db2.gz QAASNUJXHCTLMC-CJNGLKHVSA-N 1 2 342.487 3.381 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001080604108 1357694631 /nfs/dbraw/zinc/69/46/31/1357694631.db2.gz MIKFADDRGRLPBY-FZKQIMNGSA-N 1 2 330.859 3.449 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001080604108 1357694638 /nfs/dbraw/zinc/69/46/38/1357694638.db2.gz MIKFADDRGRLPBY-FZKQIMNGSA-N 1 2 330.859 3.449 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(c3nc(C)[nH+]c(C)c3C)CC[C@H]2C)C1 ZINC001067990699 1353609273 /nfs/dbraw/zinc/60/92/73/1353609273.db2.gz ZFAUEKYRLNAENV-CXAGYDPISA-N 1 2 342.487 3.089 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@@H](CNc3cc[nH+]c(C)n3)C[C@@H]2C)CC1 ZINC001068369225 1353707234 /nfs/dbraw/zinc/70/72/34/1353707234.db2.gz GSZUJVGDMLESSU-GOEBONIOSA-N 1 2 328.460 3.180 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(c3ccccc3F)CC2)C1 ZINC001080707382 1357723893 /nfs/dbraw/zinc/72/38/93/1357723893.db2.gz FOOQLCTXJRCCQE-MLGOLLRUSA-N 1 2 336.838 3.046 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(c3ccccc3F)CC2)C1 ZINC001080707382 1357723897 /nfs/dbraw/zinc/72/38/97/1357723897.db2.gz FOOQLCTXJRCCQE-MLGOLLRUSA-N 1 2 336.838 3.046 20 30 EGEDLO Cc1cccc(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccccc2C#N)c1 ZINC001085465380 1358520277 /nfs/dbraw/zinc/52/02/77/1358520277.db2.gz AOAJOROXDXODGM-HXUWFJFHSA-N 1 2 333.435 3.213 20 30 EGEDLO Cc1cccc(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccccc2C#N)c1 ZINC001085465380 1358520281 /nfs/dbraw/zinc/52/02/81/1358520281.db2.gz AOAJOROXDXODGM-HXUWFJFHSA-N 1 2 333.435 3.213 20 30 EGEDLO Cc1cccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)c1 ZINC001085465461 1358519542 /nfs/dbraw/zinc/51/95/42/1358519542.db2.gz CCEPXXPLLXIVJO-NRFANRHFSA-N 1 2 332.447 3.193 20 30 EGEDLO Cc1cccc(C(=O)N(C)C[C@@H]2CC[N@H+]2CC#Cc2ccccc2)c1 ZINC001085465461 1358519545 /nfs/dbraw/zinc/51/95/45/1358519545.db2.gz CCEPXXPLLXIVJO-NRFANRHFSA-N 1 2 332.447 3.193 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001070822679 1354402556 /nfs/dbraw/zinc/40/25/56/1354402556.db2.gz LXADBPQTXPXWCD-QGZVFWFLSA-N 1 2 343.471 3.084 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)C1(C)CCCC1)C[C@@H](C)O2 ZINC001071194597 1354496985 /nfs/dbraw/zinc/49/69/85/1354496985.db2.gz LKYMNOUICLUSSM-CRAIPNDOSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1(C)CCCC1)C[C@@H](C)O2 ZINC001071194597 1354496987 /nfs/dbraw/zinc/49/69/87/1354496987.db2.gz LKYMNOUICLUSSM-CRAIPNDOSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)CC2CCCC2)CC[C@H]1C ZINC001071321056 1354585767 /nfs/dbraw/zinc/58/57/67/1354585767.db2.gz CGPSEXPETIKZCP-UKRRQHHQSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)CC2CCCC2)CC[C@H]1C ZINC001071321056 1354585770 /nfs/dbraw/zinc/58/57/70/1354585770.db2.gz CGPSEXPETIKZCP-UKRRQHHQSA-N 1 2 343.309 3.444 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C2=CCCC2)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC001071417534 1354682348 /nfs/dbraw/zinc/68/23/48/1354682348.db2.gz VXEOGTGNUYGTDH-AUUYWEPGSA-N 1 2 341.430 3.277 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C2=CCCC2)C[N@H+]1Cc1cc(F)ccc1C#N ZINC001071417534 1354682353 /nfs/dbraw/zinc/68/23/53/1354682353.db2.gz VXEOGTGNUYGTDH-AUUYWEPGSA-N 1 2 341.430 3.277 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)C(C)=C2CCC2)CC[C@H]1C ZINC001071501675 1354730807 /nfs/dbraw/zinc/73/08/07/1354730807.db2.gz SOXMQHPZBDRQFM-DOMZBBRYSA-N 1 2 341.293 3.365 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)C(C)=C2CCC2)CC[C@H]1C ZINC001071501675 1354730809 /nfs/dbraw/zinc/73/08/09/1354730809.db2.gz SOXMQHPZBDRQFM-DOMZBBRYSA-N 1 2 341.293 3.365 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cnoc2-c2ccco2)CC[C@H]1C ZINC001071609807 1354793829 /nfs/dbraw/zinc/79/38/29/1354793829.db2.gz NVYJAVKHJRZNLL-CHWSQXEVSA-N 1 2 349.818 3.270 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cnoc2-c2ccco2)CC[C@H]1C ZINC001071609807 1354793832 /nfs/dbraw/zinc/79/38/32/1354793832.db2.gz NVYJAVKHJRZNLL-CHWSQXEVSA-N 1 2 349.818 3.270 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2nc(C)sc2C)CC[C@H]1C ZINC001071608742 1354793901 /nfs/dbraw/zinc/79/39/01/1354793901.db2.gz DVCAPJHXJCADQF-RISCZKNCSA-N 1 2 341.908 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2nc(C)sc2C)CC[C@H]1C ZINC001071608742 1354793903 /nfs/dbraw/zinc/79/39/03/1354793903.db2.gz DVCAPJHXJCADQF-RISCZKNCSA-N 1 2 341.908 3.024 20 30 EGEDLO C=C(C)CC[N@H+]1C[C@H](NC(=O)c2n[nH]c3ccc(C)cc32)CC[C@H]1C ZINC001071642393 1354821762 /nfs/dbraw/zinc/82/17/62/1354821762.db2.gz PGKQYEHLFCEFEP-HZPDHXFCSA-N 1 2 340.471 3.420 20 30 EGEDLO C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2n[nH]c3ccc(C)cc32)CC[C@H]1C ZINC001071642393 1354821767 /nfs/dbraw/zinc/82/17/67/1354821767.db2.gz PGKQYEHLFCEFEP-HZPDHXFCSA-N 1 2 340.471 3.420 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3cccc(OC)c32)[C@H]1C ZINC001088905049 1360100432 /nfs/dbraw/zinc/10/04/32/1360100432.db2.gz GVDQVWPZTJASOY-BMFZPTHFSA-N 1 2 348.874 3.057 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3cccc(OC)c32)[C@H]1C ZINC001088905049 1360100434 /nfs/dbraw/zinc/10/04/34/1360100434.db2.gz GVDQVWPZTJASOY-BMFZPTHFSA-N 1 2 348.874 3.057 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3cncc(F)c3)C2)CC1 ZINC001071796724 1354940945 /nfs/dbraw/zinc/94/09/45/1354940945.db2.gz WMMPQAGDSWPALG-DNVCBOLYSA-N 1 2 345.462 3.436 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3cncc(F)c3)C2)CC1 ZINC001071796724 1354940953 /nfs/dbraw/zinc/94/09/53/1354940953.db2.gz WMMPQAGDSWPALG-DNVCBOLYSA-N 1 2 345.462 3.436 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)C2CC3(CC3)C2)CC[C@H]1C ZINC001071803330 1354946407 /nfs/dbraw/zinc/94/64/07/1354946407.db2.gz KTZYVCPRXJWZMF-TZMCWYRMSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)C2CC3(CC3)C2)CC[C@H]1C ZINC001071803330 1354946412 /nfs/dbraw/zinc/94/64/12/1354946412.db2.gz KTZYVCPRXJWZMF-TZMCWYRMSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3csc(C)n3)C2)C1 ZINC001071803313 1354946981 /nfs/dbraw/zinc/94/69/81/1354946981.db2.gz KOMHBQWMHLCGHC-UKRRQHHQSA-N 1 2 333.501 3.277 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3csc(C)n3)C2)C1 ZINC001071803313 1354946984 /nfs/dbraw/zinc/94/69/84/1354946984.db2.gz KOMHBQWMHLCGHC-UKRRQHHQSA-N 1 2 333.501 3.277 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ncsc2C2CC2)CC[C@H]1C ZINC001071821388 1354960547 /nfs/dbraw/zinc/96/05/47/1354960547.db2.gz NVZOYHKIWCXQBJ-DGCLKSJQSA-N 1 2 339.892 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ncsc2C2CC2)CC[C@H]1C ZINC001071821388 1354960551 /nfs/dbraw/zinc/96/05/51/1354960551.db2.gz NVZOYHKIWCXQBJ-DGCLKSJQSA-N 1 2 339.892 3.356 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2ccsc2C)CC[C@H]1C ZINC001071870723 1354996187 /nfs/dbraw/zinc/99/61/87/1354996187.db2.gz CNNXPPJBSNTNDT-DOMZBBRYSA-N 1 2 326.893 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2ccsc2C)CC[C@H]1C ZINC001071870723 1354996191 /nfs/dbraw/zinc/99/61/91/1354996191.db2.gz CNNXPPJBSNTNDT-DOMZBBRYSA-N 1 2 326.893 3.321 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc3[nH]c(C)nc3c2)CC[C@@H]1C ZINC001071937694 1355034624 /nfs/dbraw/zinc/03/46/24/1355034624.db2.gz GBEXTYRISYXTDU-WFASDCNBSA-N 1 2 346.862 3.207 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc3[nH]c(C)nc3c2)CC[C@@H]1C ZINC001071937694 1355034625 /nfs/dbraw/zinc/03/46/25/1355034625.db2.gz GBEXTYRISYXTDU-WFASDCNBSA-N 1 2 346.862 3.207 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2nc(C3CC3)oc2C)CC[C@@H]1C ZINC001071947142 1355037247 /nfs/dbraw/zinc/03/72/47/1355037247.db2.gz NRRGUXWJCREHRP-SMDDNHRTSA-N 1 2 337.851 3.196 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2nc(C3CC3)oc2C)CC[C@@H]1C ZINC001071947142 1355037248 /nfs/dbraw/zinc/03/72/48/1355037248.db2.gz NRRGUXWJCREHRP-SMDDNHRTSA-N 1 2 337.851 3.196 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc3c([nH]2)CCCC3)CC[C@H]1C ZINC001071970156 1355051411 /nfs/dbraw/zinc/05/14/11/1355051411.db2.gz CYTKEDMUUROLMT-HIFRSBDPSA-N 1 2 335.879 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc3c([nH]2)CCCC3)CC[C@H]1C ZINC001071970156 1355051414 /nfs/dbraw/zinc/05/14/14/1355051414.db2.gz CYTKEDMUUROLMT-HIFRSBDPSA-N 1 2 335.879 3.229 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2c[nH]nc2-c2ccco2)CC[C@@H]1C ZINC001072096433 1355127499 /nfs/dbraw/zinc/12/74/99/1355127499.db2.gz ZPITXJBUHYRFHK-QWHCGFSZSA-N 1 2 348.834 3.005 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2c[nH]nc2-c2ccco2)CC[C@@H]1C ZINC001072096433 1355127500 /nfs/dbraw/zinc/12/75/00/1355127500.db2.gz ZPITXJBUHYRFHK-QWHCGFSZSA-N 1 2 348.834 3.005 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2ccc(C)s2)CC[C@H]1C ZINC001072098738 1355128183 /nfs/dbraw/zinc/12/81/83/1355128183.db2.gz FLKXKFQKKSSKPP-TZMCWYRMSA-N 1 2 326.893 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2ccc(C)s2)CC[C@H]1C ZINC001072098738 1355128184 /nfs/dbraw/zinc/12/81/84/1355128184.db2.gz FLKXKFQKKSSKPP-TZMCWYRMSA-N 1 2 326.893 3.321 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C/Cl)C2 ZINC001072944383 1355512706 /nfs/dbraw/zinc/51/27/06/1355512706.db2.gz AXCUZJUXHQKFQY-ODDCISTRSA-N 1 2 331.287 3.442 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+](C/C(Cl)=C/Cl)C2 ZINC001072944383 1355512707 /nfs/dbraw/zinc/51/27/07/1355512707.db2.gz AXCUZJUXHQKFQY-ODDCISTRSA-N 1 2 331.287 3.442 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+](Cc1csc(CC)n1)C2 ZINC001072951577 1355517920 /nfs/dbraw/zinc/51/79/20/1355517920.db2.gz LPGSJAAQEBJNPA-SFHVURJKSA-N 1 2 347.528 3.342 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[N@H+](Cc1csc(CC)n1)C2 ZINC001072951577 1355517923 /nfs/dbraw/zinc/51/79/23/1355517923.db2.gz LPGSJAAQEBJNPA-SFHVURJKSA-N 1 2 347.528 3.342 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C2CCC(C)(C)CC2)C1 ZINC001073904868 1355948601 /nfs/dbraw/zinc/94/86/01/1355948601.db2.gz PFWGDTDGZZQCGK-INIZCTEOSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C2CCC(C)(C)CC2)C1 ZINC001073904868 1355948607 /nfs/dbraw/zinc/94/86/07/1355948607.db2.gz PFWGDTDGZZQCGK-INIZCTEOSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C)cc(Cl)c3)C[C@@H]21 ZINC001074298099 1356158393 /nfs/dbraw/zinc/15/83/93/1356158393.db2.gz YSXWWKBKPYXOFS-ZWKOTPCHSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C)cc(Cl)c3)C[C@@H]21 ZINC001074298099 1356158395 /nfs/dbraw/zinc/15/83/95/1356158395.db2.gz YSXWWKBKPYXOFS-ZWKOTPCHSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C4CC4)cc3)C[C@H]21 ZINC001074410817 1356195279 /nfs/dbraw/zinc/19/52/79/1356195279.db2.gz YGNDNFNJUMXQQY-WOJBJXKFSA-N 1 2 340.467 3.055 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C4CC4)cc3)C[C@H]21 ZINC001074410817 1356195281 /nfs/dbraw/zinc/19/52/81/1356195281.db2.gz YGNDNFNJUMXQQY-WOJBJXKFSA-N 1 2 340.467 3.055 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(N(C)C(C)C)cc2)C1 ZINC001081038207 1357791655 /nfs/dbraw/zinc/79/16/55/1357791655.db2.gz SDBDUVIGVDHWGA-RDTXWAMCSA-N 1 2 349.906 3.334 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(N(C)C(C)C)cc2)C1 ZINC001081038207 1357791660 /nfs/dbraw/zinc/79/16/60/1357791660.db2.gz SDBDUVIGVDHWGA-RDTXWAMCSA-N 1 2 349.906 3.334 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)c2ccccc2C)C1 ZINC001081049013 1357799138 /nfs/dbraw/zinc/79/91/38/1357799138.db2.gz ZWHGWXJMMOEPHS-RHSMWYFYSA-N 1 2 334.891 3.462 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)c2ccccc2C)C1 ZINC001081049013 1357799139 /nfs/dbraw/zinc/79/91/39/1357799139.db2.gz ZWHGWXJMMOEPHS-RHSMWYFYSA-N 1 2 334.891 3.462 20 30 EGEDLO C=C(C)C[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1c1ccccc1 ZINC001081119802 1357838845 /nfs/dbraw/zinc/83/88/45/1357838845.db2.gz PCVOZGLJVYTXHY-ZNMIVQPWSA-N 1 2 344.352 3.047 20 30 EGEDLO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1c1ccccc1 ZINC001081119802 1357838849 /nfs/dbraw/zinc/83/88/49/1357838849.db2.gz PCVOZGLJVYTXHY-ZNMIVQPWSA-N 1 2 344.352 3.047 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccccc4)[C@@H]3C2)ccc1F ZINC001084161314 1358147851 /nfs/dbraw/zinc/14/78/51/1358147851.db2.gz SHBWPAAIXDFGKW-YLJYHZDGSA-N 1 2 349.409 3.044 20 30 EGEDLO N#Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccccc4)[C@@H]3C2)ccc1F ZINC001084161314 1358147853 /nfs/dbraw/zinc/14/78/53/1358147853.db2.gz SHBWPAAIXDFGKW-YLJYHZDGSA-N 1 2 349.409 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccsc3)[C@@H]2C1 ZINC001084449632 1358216547 /nfs/dbraw/zinc/21/65/47/1358216547.db2.gz HHLXQPMYEYIGMJ-SLBVQIDZSA-N 1 2 336.888 3.137 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccsc3)[C@@H]2C1 ZINC001084449632 1358216551 /nfs/dbraw/zinc/21/65/51/1358216551.db2.gz HHLXQPMYEYIGMJ-SLBVQIDZSA-N 1 2 336.888 3.137 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4cccnc43)[C@@H]2C1 ZINC001084490933 1358223905 /nfs/dbraw/zinc/22/39/05/1358223905.db2.gz XLTAWFCTQFCCGP-NVXWUHKLSA-N 1 2 341.842 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4cccnc43)[C@@H]2C1 ZINC001084490933 1358223908 /nfs/dbraw/zinc/22/39/08/1358223908.db2.gz XLTAWFCTQFCCGP-NVXWUHKLSA-N 1 2 341.842 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cccc(Cl)c3)[C@@H]2C1 ZINC001084627727 1358259761 /nfs/dbraw/zinc/25/97/61/1358259761.db2.gz FSAONMWDWXANSS-GDBMZVCRSA-N 1 2 339.266 3.168 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cccc(Cl)c3)[C@@H]2C1 ZINC001084627727 1358259764 /nfs/dbraw/zinc/25/97/64/1358259764.db2.gz FSAONMWDWXANSS-GDBMZVCRSA-N 1 2 339.266 3.168 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4ncc(C)s4)C[C@H]32)CC1 ZINC001084634133 1358261986 /nfs/dbraw/zinc/26/19/86/1358261986.db2.gz CTSYTMINTQQJPA-IAGOWNOFSA-N 1 2 345.512 3.231 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4ncc(C)s4)C[C@H]32)CC1 ZINC001084634133 1358261987 /nfs/dbraw/zinc/26/19/87/1358261987.db2.gz CTSYTMINTQQJPA-IAGOWNOFSA-N 1 2 345.512 3.231 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3ccccc3F)[C@@H]2C1 ZINC001084825565 1358321235 /nfs/dbraw/zinc/32/12/35/1358321235.db2.gz IVINVEPIZBROSL-NVXWUHKLSA-N 1 2 336.838 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3ccccc3F)[C@@H]2C1 ZINC001084825565 1358321239 /nfs/dbraw/zinc/32/12/39/1358321239.db2.gz IVINVEPIZBROSL-NVXWUHKLSA-N 1 2 336.838 3.044 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)C1CC(C)(C)C1 ZINC001085578641 1358609632 /nfs/dbraw/zinc/60/96/32/1358609632.db2.gz SYKXVZMAHQYCRL-CQSZACIVSA-N 1 2 331.485 3.089 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)C1CC(C)(C)C1 ZINC001085578641 1358609636 /nfs/dbraw/zinc/60/96/36/1358609636.db2.gz SYKXVZMAHQYCRL-CQSZACIVSA-N 1 2 331.485 3.089 20 30 EGEDLO CCC(CC)CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183829053 1387355718 /nfs/dbraw/zinc/35/57/18/1387355718.db2.gz GVRWPBDGHOTPSG-IBGZPJMESA-N 1 2 327.472 3.465 20 30 EGEDLO CCC(CC)CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183829053 1387355720 /nfs/dbraw/zinc/35/57/20/1387355720.db2.gz GVRWPBDGHOTPSG-IBGZPJMESA-N 1 2 327.472 3.465 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@]12C[C@H]1CCCC2 ZINC001085807435 1358785432 /nfs/dbraw/zinc/78/54/32/1358785432.db2.gz HYFQYJZAIONLHB-ZRGWGRIASA-N 1 2 343.496 3.233 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@]12C[C@H]1CCCC2 ZINC001085807435 1358785437 /nfs/dbraw/zinc/78/54/37/1358785437.db2.gz HYFQYJZAIONLHB-ZRGWGRIASA-N 1 2 343.496 3.233 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1sc(Cl)nc1Cl ZINC001085973658 1358928541 /nfs/dbraw/zinc/92/85/41/1358928541.db2.gz BHVRIJKBKDMEAQ-SECBINFHSA-N 1 2 334.272 3.172 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1sc(Cl)nc1Cl ZINC001085973658 1358928537 /nfs/dbraw/zinc/92/85/37/1358928537.db2.gz BHVRIJKBKDMEAQ-SECBINFHSA-N 1 2 334.272 3.172 20 30 EGEDLO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001086622514 1359168219 /nfs/dbraw/zinc/16/82/19/1359168219.db2.gz BNCXUNIAISBJFI-LSDHHAIUSA-N 1 2 344.867 3.233 20 30 EGEDLO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001086622514 1359168221 /nfs/dbraw/zinc/16/82/21/1359168221.db2.gz BNCXUNIAISBJFI-LSDHHAIUSA-N 1 2 344.867 3.233 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2(C)CCC2)[C@H]1CC ZINC001087688456 1359590487 /nfs/dbraw/zinc/59/04/87/1359590487.db2.gz IGAUOLZTYKIGRG-QWHCGFSZSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2(C)CCC2)[C@H]1CC ZINC001087688456 1359590488 /nfs/dbraw/zinc/59/04/88/1359590488.db2.gz IGAUOLZTYKIGRG-QWHCGFSZSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3nc(C)ccc3o2)[C@H]1CC ZINC001087804493 1359654482 /nfs/dbraw/zinc/65/44/82/1359654482.db2.gz DVWROONQFMNELD-DZGCQCFKSA-N 1 2 347.846 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3nc(C)ccc3o2)[C@H]1CC ZINC001087804493 1359654486 /nfs/dbraw/zinc/65/44/86/1359654486.db2.gz DVWROONQFMNELD-DZGCQCFKSA-N 1 2 347.846 3.471 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC001088388214 1359866511 /nfs/dbraw/zinc/86/65/11/1359866511.db2.gz PLYKNHNNHMIEEH-CQSZACIVSA-N 1 2 336.867 3.014 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccccc2C)[C@H]1C ZINC001088452699 1359916164 /nfs/dbraw/zinc/91/61/64/1359916164.db2.gz ZZTXTJMIXWUJTF-HIFRSBDPSA-N 1 2 337.261 3.096 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2C)[C@H]1C ZINC001088452699 1359916166 /nfs/dbraw/zinc/91/61/66/1359916166.db2.gz ZZTXTJMIXWUJTF-HIFRSBDPSA-N 1 2 337.261 3.096 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3cc(OC)ccc32)[C@H]1C ZINC001088608259 1359990278 /nfs/dbraw/zinc/99/02/78/1359990278.db2.gz PUWJNKZSGIYJON-XWIAVFTESA-N 1 2 348.874 3.057 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3cc(OC)ccc32)[C@H]1C ZINC001088608259 1359990283 /nfs/dbraw/zinc/99/02/83/1359990283.db2.gz PUWJNKZSGIYJON-XWIAVFTESA-N 1 2 348.874 3.057 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC23CC3)[C@H]1C ZINC001088660362 1360006349 /nfs/dbraw/zinc/00/63/49/1360006349.db2.gz WEPGTEUILKVKBZ-RDBSUJKOSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC23CC3)[C@H]1C ZINC001088660362 1360006357 /nfs/dbraw/zinc/00/63/57/1360006357.db2.gz WEPGTEUILKVKBZ-RDBSUJKOSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3ccccc32)[C@H]1C ZINC001088665064 1360007671 /nfs/dbraw/zinc/00/76/71/1360007671.db2.gz NEVHKMHXWKHNKW-JLSDUUJJSA-N 1 2 332.875 3.438 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3ccccc32)[C@H]1C ZINC001088665064 1360007673 /nfs/dbraw/zinc/00/76/73/1360007673.db2.gz NEVHKMHXWKHNKW-JLSDUUJJSA-N 1 2 332.875 3.438 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(OC)c(Cl)c2)[C@H]1C ZINC001089029253 1360142902 /nfs/dbraw/zinc/14/29/02/1360142902.db2.gz OXOMDBQZKJYFAU-RISCZKNCSA-N 1 2 343.254 3.294 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(OC)c(Cl)c2)[C@H]1C ZINC001089029253 1360142905 /nfs/dbraw/zinc/14/29/05/1360142905.db2.gz OXOMDBQZKJYFAU-RISCZKNCSA-N 1 2 343.254 3.294 20 30 EGEDLO C#CCCCC(=O)N[C@@H](C)C[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001089300088 1360320090 /nfs/dbraw/zinc/32/00/90/1360320090.db2.gz ZYYQEYZQZMINBB-GJZGRUSLSA-N 1 2 342.487 3.163 20 30 EGEDLO C#CCCCCCC(=O)N1CCCC[C@@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001089792849 1360665806 /nfs/dbraw/zinc/66/58/06/1360665806.db2.gz DIKNXTWYXLACOS-GOSISDBHSA-N 1 2 342.487 3.186 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@H](C)CCCCNc1cc[nH+]c(C)n1 ZINC001090160747 1360854884 /nfs/dbraw/zinc/85/48/84/1360854884.db2.gz JHUAQCQRUREONF-OAHLLOKOSA-N 1 2 341.459 3.173 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@H]21 ZINC001090354805 1360895081 /nfs/dbraw/zinc/89/50/81/1360895081.db2.gz WOLULDGPHWDAEA-OKZBNKHCSA-N 1 2 342.487 3.041 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001090804925 1360938487 /nfs/dbraw/zinc/93/84/87/1360938487.db2.gz HRKHVJHCORLQQX-DJIMGWMZSA-N 1 2 344.503 3.452 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001090827856 1360941073 /nfs/dbraw/zinc/94/10/73/1360941073.db2.gz HMVQPCLNHYQENS-OWDMVUQNSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCCC[C@H]1Nc1nc(C)[nH+]c2c1CCCC2 ZINC001091247637 1361020014 /nfs/dbraw/zinc/02/00/14/1361020014.db2.gz LYWSEQJLFYIFPV-QZTJIDSGSA-N 1 2 342.487 3.469 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1C[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001091375497 1361067695 /nfs/dbraw/zinc/06/76/95/1361067695.db2.gz HJHYBPKZXDOLFH-IYBDPMFKSA-N 1 2 342.487 3.327 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@@H](C)C[C@H]1CNc1cc[nH+]c(C)n1 ZINC001091690291 1361180353 /nfs/dbraw/zinc/18/03/53/1361180353.db2.gz IKFJPLIRXMHYEU-WBVHZDCISA-N 1 2 328.460 3.018 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)CC1CCCCCC1)c1nccn12 ZINC001092396470 1361373232 /nfs/dbraw/zinc/37/32/32/1361373232.db2.gz DMERNXIGIOOKML-QGZVFWFLSA-N 1 2 342.487 3.002 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@H]21 ZINC001093330004 1361561219 /nfs/dbraw/zinc/56/12/19/1361561219.db2.gz BHNXLPKMPUBQQW-QLPKVWCKSA-N 1 2 342.487 3.062 20 30 EGEDLO C=CCCC(=O)NC1CC2(C1)CC(Nc1cc(C)[nH+]c(C3CC3)n1)C2 ZINC001093425177 1361618919 /nfs/dbraw/zinc/61/89/19/1361618919.db2.gz TXICTJNHZUZSHU-UHFFFAOYSA-N 1 2 340.471 3.468 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[C@@H]3CCC[C@H]3C)CC2)C1 ZINC001093539042 1361637463 /nfs/dbraw/zinc/63/74/63/1361637463.db2.gz MMUXQZDLUVLLLB-SJORKVTESA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3ccc(C)c(F)c3)CC2)C1 ZINC001093553607 1361640776 /nfs/dbraw/zinc/64/07/76/1361640776.db2.gz CCUIZSVGUVDDCK-UHFFFAOYSA-N 1 2 346.446 3.016 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[C@H]3CC=CCC3)CC2)C1 ZINC001093561751 1361642262 /nfs/dbraw/zinc/64/22/62/1361642262.db2.gz WPONJLRURNXIFF-KRWDZBQOSA-N 1 2 332.488 3.001 20 30 EGEDLO C=C1CCC(C(=O)N2CCC(OC3C[NH+](CC=C(C)C)C3)CC2)CC1 ZINC001093567186 1361644677 /nfs/dbraw/zinc/64/46/77/1361644677.db2.gz BTHYKSZWCICIBN-UHFFFAOYSA-N 1 2 346.515 3.391 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCC(C)(C)C3)CC2)C1 ZINC001093570823 1361645966 /nfs/dbraw/zinc/64/59/66/1361645966.db2.gz HGGFCWRIYQPSIM-MRXNPFEDSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3C[C@@H]3C3CCCC3)CC2)C1 ZINC001093587025 1361649715 /nfs/dbraw/zinc/64/97/15/1361649715.db2.gz MKOSRLHTCIKVIU-WOJBJXKFSA-N 1 2 346.515 3.081 20 30 EGEDLO C=CCC1(C(=O)NCCNc2cc(C)[nH+]c(C3CC3)n2)CCCC1 ZINC001093716558 1361682930 /nfs/dbraw/zinc/68/29/30/1361682930.db2.gz KMKCRWRTKRBJNM-UHFFFAOYSA-N 1 2 328.460 3.327 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001094756297 1361907052 /nfs/dbraw/zinc/90/70/52/1361907052.db2.gz TZKMLHGEINKVCV-IBGZPJMESA-N 1 2 330.476 3.184 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095076706 1362005302 /nfs/dbraw/zinc/00/53/02/1362005302.db2.gz FDFUAMIKMASTNL-QGZVFWFLSA-N 1 2 340.471 3.259 20 30 EGEDLO C=CCCC(=O)NC[C@@H](Nc1cc[nH+]c(C)n1)c1ccccc1OC ZINC001095209599 1362053726 /nfs/dbraw/zinc/05/37/26/1362053726.db2.gz MQQXIYOAJNTYSI-MRXNPFEDSA-N 1 2 340.427 3.029 20 30 EGEDLO C=CCCCC(=O)NC1CCN(c2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001095446190 1362143560 /nfs/dbraw/zinc/14/35/60/1362143560.db2.gz FYYMTYRHRHUZIX-UHFFFAOYSA-N 1 2 342.487 3.105 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnn1C1CCCC1)C2 ZINC001095484177 1362155121 /nfs/dbraw/zinc/15/51/21/1362155121.db2.gz BXQXKBCFBIXVED-PMPSAXMXSA-N 1 2 348.878 3.086 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnn1C1CCCC1)C2 ZINC001095484177 1362155122 /nfs/dbraw/zinc/15/51/22/1362155122.db2.gz BXQXKBCFBIXVED-PMPSAXMXSA-N 1 2 348.878 3.086 20 30 EGEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1scnc1C1CCCC1)C2 ZINC001095699839 1362204938 /nfs/dbraw/zinc/20/49/38/1362204938.db2.gz HEQGCPSHSKWEGU-PMPSAXMXSA-N 1 2 343.496 3.159 20 30 EGEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1scnc1C1CCCC1)C2 ZINC001095699839 1362204939 /nfs/dbraw/zinc/20/49/39/1362204939.db2.gz HEQGCPSHSKWEGU-PMPSAXMXSA-N 1 2 343.496 3.159 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001095749824 1362220942 /nfs/dbraw/zinc/22/09/42/1362220942.db2.gz KGMPEFGPLKYTKO-UHFFFAOYSA-N 1 2 332.492 3.453 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccncc2Cl)C1 ZINC001095983151 1362321884 /nfs/dbraw/zinc/32/18/84/1362321884.db2.gz SKCHWDCOUFALCI-PVAVHDDUSA-N 1 2 345.874 3.313 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccncc2Cl)C1 ZINC001095983151 1362321886 /nfs/dbraw/zinc/32/18/86/1362321886.db2.gz SKCHWDCOUFALCI-PVAVHDDUSA-N 1 2 345.874 3.313 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3cc[nH]c31)C2 ZINC001096047075 1362349283 /nfs/dbraw/zinc/34/92/83/1362349283.db2.gz WVPCXWZFXXDMGL-KBMXLJTQSA-N 1 2 329.831 3.256 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3cc[nH]c31)C2 ZINC001096047075 1362349288 /nfs/dbraw/zinc/34/92/88/1362349288.db2.gz WVPCXWZFXXDMGL-KBMXLJTQSA-N 1 2 329.831 3.256 20 30 EGEDLO C=CCCCC(=O)NCCCN(c1nc(C)[nH+]c(C)c1C)C1CC1 ZINC001096074473 1362369973 /nfs/dbraw/zinc/36/99/73/1362369973.db2.gz HUKBAVBOJSIYFL-UHFFFAOYSA-N 1 2 330.476 3.233 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)C[C@H](C)O3)C2 ZINC001096174384 1362414646 /nfs/dbraw/zinc/41/46/46/1362414646.db2.gz SZAITWCJZMMLAC-IEAZIUSSSA-N 1 2 346.858 3.098 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)C[C@H](C)O3)C2 ZINC001096174384 1362414652 /nfs/dbraw/zinc/41/46/52/1362414652.db2.gz SZAITWCJZMMLAC-IEAZIUSSSA-N 1 2 346.858 3.098 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c(C)cccn3c1)C2 ZINC001096332999 1362465892 /nfs/dbraw/zinc/46/58/92/1362465892.db2.gz NJAKCSUZJSMCDX-IKGGRYGDSA-N 1 2 343.858 3.335 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c(C)cccn3c1)C2 ZINC001096332999 1362465898 /nfs/dbraw/zinc/46/58/98/1362465898.db2.gz NJAKCSUZJSMCDX-IKGGRYGDSA-N 1 2 343.858 3.335 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CC12CCN(c1nc(C)[nH+]c(C)c1C)CC2 ZINC001096532396 1362559515 /nfs/dbraw/zinc/55/95/15/1362559515.db2.gz ZKRICMNSSCQJIL-KRWDZBQOSA-N 1 2 342.487 3.233 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)n1c(C)ccc1C)C2 ZINC001096606171 1362594867 /nfs/dbraw/zinc/59/48/67/1362594867.db2.gz HTQFNDDYUFPARI-YVSFHVDLSA-N 1 2 335.879 3.140 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)n1c(C)ccc1C)C2 ZINC001096606171 1362594873 /nfs/dbraw/zinc/59/48/73/1362594873.db2.gz HTQFNDDYUFPARI-YVSFHVDLSA-N 1 2 335.879 3.140 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(F)cc1)C2 ZINC001096733677 1362675996 /nfs/dbraw/zinc/67/59/96/1362675996.db2.gz JHECLCWKEDCWRQ-AQNXPRMDSA-N 1 2 349.409 3.233 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(F)cc1)C2 ZINC001096733677 1362676000 /nfs/dbraw/zinc/67/60/00/1362676000.db2.gz JHECLCWKEDCWRQ-AQNXPRMDSA-N 1 2 349.409 3.233 20 30 EGEDLO C=CCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]c(C(C)C)n1 ZINC001097118522 1362849041 /nfs/dbraw/zinc/84/90/41/1362849041.db2.gz ODDHFEJTUSYASB-ALOPSCKCSA-N 1 2 342.487 3.491 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097321074 1362931128 /nfs/dbraw/zinc/93/11/28/1362931128.db2.gz BWHFLZVAQDYJLC-KRWDZBQOSA-N 1 2 344.503 3.337 20 30 EGEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=C)Cl)cc1 ZINC001097357712 1362950414 /nfs/dbraw/zinc/95/04/14/1362950414.db2.gz QLFUZEQWQNIULO-NXHRZFHOSA-N 1 2 346.858 3.339 20 30 EGEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=C)Cl)cc1 ZINC001097357712 1362950415 /nfs/dbraw/zinc/95/04/15/1362950415.db2.gz QLFUZEQWQNIULO-NXHRZFHOSA-N 1 2 346.858 3.339 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c3ccccc13)C2 ZINC001097457383 1363002204 /nfs/dbraw/zinc/00/22/04/1363002204.db2.gz UMHSCWSGBDGKSZ-JLZZUVOBSA-N 1 2 329.831 3.256 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c3ccccc13)C2 ZINC001097457383 1363002207 /nfs/dbraw/zinc/00/22/07/1363002207.db2.gz UMHSCWSGBDGKSZ-JLZZUVOBSA-N 1 2 329.831 3.256 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cc(C)ccc1F)C2 ZINC001098253735 1363272103 /nfs/dbraw/zinc/27/21/03/1363272103.db2.gz XDQPUYKLIOGNDW-OIISXLGYSA-N 1 2 336.838 3.151 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cc(C)ccc1F)C2 ZINC001098253735 1363272106 /nfs/dbraw/zinc/27/21/06/1363272106.db2.gz XDQPUYKLIOGNDW-OIISXLGYSA-N 1 2 336.838 3.151 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH]c3ccccc13)C2 ZINC001098266820 1363279309 /nfs/dbraw/zinc/27/93/09/1363279309.db2.gz OQFKRMRPEFMDRG-OLMNPRSZSA-N 1 2 343.858 3.184 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH]c3ccccc13)C2 ZINC001098266820 1363279310 /nfs/dbraw/zinc/27/93/10/1363279310.db2.gz OQFKRMRPEFMDRG-OLMNPRSZSA-N 1 2 343.858 3.184 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ccc3ccccc31)C2 ZINC001098432747 1363324875 /nfs/dbraw/zinc/32/48/75/1363324875.db2.gz VGOFHISMINOEGF-NUJGCVRESA-N 1 2 343.858 3.115 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ccc3ccccc31)C2 ZINC001098432747 1363324877 /nfs/dbraw/zinc/32/48/77/1363324877.db2.gz VGOFHISMINOEGF-NUJGCVRESA-N 1 2 343.858 3.115 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1CCC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001098636365 1363410315 /nfs/dbraw/zinc/41/03/15/1363410315.db2.gz FFZPVDRVBMGTBA-KGLIPLIRSA-N 1 2 336.867 3.403 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1CCC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001098636364 1363410354 /nfs/dbraw/zinc/41/03/54/1363410354.db2.gz FFZPVDRVBMGTBA-KBPBESRZSA-N 1 2 336.867 3.403 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(Cl)o2)C1 ZINC001098731060 1363453548 /nfs/dbraw/zinc/45/35/48/1363453548.db2.gz XKCFYXNIQVAJKG-NHYWBVRUSA-N 1 2 329.227 3.270 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(Cl)o2)C1 ZINC001098731060 1363453549 /nfs/dbraw/zinc/45/35/49/1363453549.db2.gz XKCFYXNIQVAJKG-NHYWBVRUSA-N 1 2 329.227 3.270 20 30 EGEDLO C=CCOCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC=C(Cl)Cl ZINC001098966723 1363545558 /nfs/dbraw/zinc/54/55/58/1363545558.db2.gz UNVCQGFBHALBLG-ZDUSSCGKSA-N 1 2 349.302 3.115 20 30 EGEDLO C=CCOCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC=C(Cl)Cl ZINC001098966723 1363545562 /nfs/dbraw/zinc/54/55/62/1363545562.db2.gz UNVCQGFBHALBLG-ZDUSSCGKSA-N 1 2 349.302 3.115 20 30 EGEDLO CC(C)c1ocnc1C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC001098981503 1363554163 /nfs/dbraw/zinc/55/41/63/1363554163.db2.gz CTDMGQUSYSQAJJ-LSDHHAIUSA-N 1 2 346.475 3.064 20 30 EGEDLO CC(C)c1ocnc1C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC001098981503 1363554165 /nfs/dbraw/zinc/55/41/65/1363554165.db2.gz CTDMGQUSYSQAJJ-LSDHHAIUSA-N 1 2 346.475 3.064 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nccs1 ZINC001099028289 1363583144 /nfs/dbraw/zinc/58/31/44/1363583144.db2.gz BHIHZJQPRFBFTH-INIZCTEOSA-N 1 2 347.528 3.444 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nccs1 ZINC001099028289 1363583149 /nfs/dbraw/zinc/58/31/49/1363583149.db2.gz BHIHZJQPRFBFTH-INIZCTEOSA-N 1 2 347.528 3.444 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ncc(C)cn1 ZINC001099098227 1363620526 /nfs/dbraw/zinc/62/05/26/1363620526.db2.gz MIAGDNZDJJCCJK-QGZVFWFLSA-N 1 2 344.503 3.248 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ncc(C)cn1 ZINC001099098227 1363620528 /nfs/dbraw/zinc/62/05/28/1363620528.db2.gz MIAGDNZDJJCCJK-QGZVFWFLSA-N 1 2 344.503 3.248 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1cc(C)n(C)n1 ZINC001099170106 1363667729 /nfs/dbraw/zinc/66/77/29/1363667729.db2.gz CNRAJDRVDXUAQU-QGZVFWFLSA-N 1 2 346.519 3.048 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1cc(C)n(C)n1 ZINC001099170106 1363667732 /nfs/dbraw/zinc/66/77/32/1363667732.db2.gz CNRAJDRVDXUAQU-QGZVFWFLSA-N 1 2 346.519 3.048 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ccon1 ZINC001099170807 1363669443 /nfs/dbraw/zinc/66/94/43/1363669443.db2.gz KQGVHYYLQQVRIB-INIZCTEOSA-N 1 2 333.476 3.384 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ccon1 ZINC001099170807 1363669445 /nfs/dbraw/zinc/66/94/45/1363669445.db2.gz KQGVHYYLQQVRIB-INIZCTEOSA-N 1 2 333.476 3.384 20 30 EGEDLO CC#CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1cc(C)on1 ZINC001099182918 1363678239 /nfs/dbraw/zinc/67/82/39/1363678239.db2.gz PJPVLFGXXJLGOM-GOSISDBHSA-N 1 2 345.487 3.283 20 30 EGEDLO CC#CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1cc(C)on1 ZINC001099182918 1363678242 /nfs/dbraw/zinc/67/82/42/1363678242.db2.gz PJPVLFGXXJLGOM-GOSISDBHSA-N 1 2 345.487 3.283 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccon1 ZINC001099189036 1363681577 /nfs/dbraw/zinc/68/15/77/1363681577.db2.gz NVEVEFZUPLFGTH-DOTOQJQBSA-N 1 2 333.476 3.384 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccon1 ZINC001099189036 1363681573 /nfs/dbraw/zinc/68/15/73/1363681573.db2.gz NVEVEFZUPLFGTH-DOTOQJQBSA-N 1 2 333.476 3.384 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ncccn1 ZINC001099189765 1363682256 /nfs/dbraw/zinc/68/22/56/1363682256.db2.gz WMNJMKMZVSXPEO-SJORKVTESA-N 1 2 344.503 3.186 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ncccn1 ZINC001099189765 1363682261 /nfs/dbraw/zinc/68/22/61/1363682261.db2.gz WMNJMKMZVSXPEO-SJORKVTESA-N 1 2 344.503 3.186 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC(C)C)OC ZINC001099229434 1363702779 /nfs/dbraw/zinc/70/27/79/1363702779.db2.gz JTNRWDMGLOHONN-JKSUJKDBSA-N 1 2 344.927 3.407 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC(C)C)OC ZINC001099229434 1363702783 /nfs/dbraw/zinc/70/27/83/1363702783.db2.gz JTNRWDMGLOHONN-JKSUJKDBSA-N 1 2 344.927 3.407 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCN(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001100683041 1364216885 /nfs/dbraw/zinc/21/68/85/1364216885.db2.gz MDZJICYUGJBPLZ-CQSZACIVSA-N 1 2 330.476 3.207 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCN(CC)c1nc(C)[nH+]c2c1CCCC2 ZINC001100684581 1364217267 /nfs/dbraw/zinc/21/72/67/1364217267.db2.gz ROQMAVHBMZTCDY-MRXNPFEDSA-N 1 2 344.503 3.209 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCN(CC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001100705021 1364227954 /nfs/dbraw/zinc/22/79/54/1364227954.db2.gz KQYPZRIYRBRJHJ-LJQANCHMSA-N 1 2 332.492 3.453 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001100895296 1364318224 /nfs/dbraw/zinc/31/82/24/1364318224.db2.gz HGSHOLFSZXXHGR-PBHICJAKSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1CCCN1c1nc(C)[nH+]c2c1CCCC2 ZINC001100899663 1364320959 /nfs/dbraw/zinc/32/09/59/1364320959.db2.gz XFGGRBIAAPHUHO-MRXNPFEDSA-N 1 2 342.487 3.105 20 30 EGEDLO C=CCCCC(=O)N1C[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@@]2(C)C1 ZINC001101347844 1364520747 /nfs/dbraw/zinc/52/07/47/1364520747.db2.gz LLERJVGKODYMEG-VOHHJOMKSA-N 1 2 331.287 3.442 20 30 EGEDLO C=CCCCC(=O)N1C[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@@]2(C)C1 ZINC001101347844 1364520753 /nfs/dbraw/zinc/52/07/53/1364520753.db2.gz LLERJVGKODYMEG-VOHHJOMKSA-N 1 2 331.287 3.442 20 30 EGEDLO C=C1CC(C)(C(=O)NCCN(c2cc(C)[nH+]c(C3CC3)n2)C2CC2)C1 ZINC001101438423 1364563730 /nfs/dbraw/zinc/56/37/30/1364563730.db2.gz XLYFGQDTENCERV-UHFFFAOYSA-N 1 2 340.471 3.104 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H](CC)CCCC)c1nccn12 ZINC001101634454 1364663962 /nfs/dbraw/zinc/66/39/62/1364663962.db2.gz XWVWOCIXTUVRDA-SJORKVTESA-N 1 2 344.503 3.248 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](CCC)CC(C)C)c1nccn12 ZINC001101652979 1364674709 /nfs/dbraw/zinc/67/47/09/1364674709.db2.gz XJFMRTHYNYXZBS-IRXDYDNUSA-N 1 2 344.503 3.103 20 30 EGEDLO C#CCCCCC(=O)NCCCN(c1nc(C)[nH+]c(C)c1C)C(C)C ZINC001102096556 1364853289 /nfs/dbraw/zinc/85/32/89/1364853289.db2.gz MEZXDDUVEMWORE-UHFFFAOYSA-N 1 2 344.503 3.317 20 30 EGEDLO Cc1cc(N[C@H](CNC(=O)[C@@H](C)C#N)c2ccccc2)nc(C2CC2)[nH+]1 ZINC001102163314 1364902848 /nfs/dbraw/zinc/90/28/48/1364902848.db2.gz AQLJMTHGODTWSL-SUMWQHHRSA-N 1 2 349.438 3.092 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nc(C)[nH+]c(C)c1C ZINC001102204790 1364932414 /nfs/dbraw/zinc/93/24/14/1364932414.db2.gz WDWZQFGBFKPGGW-XWIAVFTESA-N 1 2 342.487 3.184 20 30 EGEDLO C=CC1(CC(=O)N(C)[C@@H]2CCN(c3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001102717986 1365183127 /nfs/dbraw/zinc/18/31/27/1365183127.db2.gz JQGUNJZSCCGNCF-QGZVFWFLSA-N 1 2 342.487 3.349 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N(C)[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102756091 1365204140 /nfs/dbraw/zinc/20/41/40/1365204140.db2.gz OMGAHJZINPGZGX-UZLBHIALSA-N 1 2 342.487 3.302 20 30 EGEDLO C#CCCCC(=O)N(CC)[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001102806488 1365228642 /nfs/dbraw/zinc/22/86/42/1365228642.db2.gz JWDHIOVYGOHMBU-QGZVFWFLSA-N 1 2 342.487 3.139 20 30 EGEDLO C=CC(C)(C)CC(=O)N(CC)[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102820154 1365235411 /nfs/dbraw/zinc/23/54/11/1365235411.db2.gz VXGYBRDEFBTTIK-KRWDZBQOSA-N 1 2 344.503 3.431 20 30 EGEDLO C=C1CCC(C(=O)NCC[C@H]2CCCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001102942248 1365306864 /nfs/dbraw/zinc/30/68/64/1365306864.db2.gz VDVAYYWPBKNPJD-QGZVFWFLSA-N 1 2 342.487 3.254 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H](CC)Nc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC001103256463 1365459683 /nfs/dbraw/zinc/45/96/83/1365459683.db2.gz MCRNUUYGMNOMDT-GOSISDBHSA-N 1 2 348.450 3.264 20 30 EGEDLO C=C1CCC(C(=O)N[C@](C)(CNc2cc[nH+]c(C)n2)C2CC2)CC1 ZINC001103570380 1365644286 /nfs/dbraw/zinc/64/42/86/1365644286.db2.gz ROZCIJTUODUOJN-LJQANCHMSA-N 1 2 328.460 3.228 20 30 EGEDLO Cc1cc(NC[C@@H](C)CNC(=O)C#CC(C)(C)C)nc(C(C)C)[nH+]1 ZINC001103937410 1365840368 /nfs/dbraw/zinc/84/03/68/1365840368.db2.gz BCCFALKXNLIPCT-CQSZACIVSA-N 1 2 330.476 3.122 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H](C)CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001104212227 1365953456 /nfs/dbraw/zinc/95/34/56/1365953456.db2.gz YPXYLRFKPLRENL-AWEZNQCLSA-N 1 2 330.476 3.429 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H](C)CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001104805108 1366180983 /nfs/dbraw/zinc/18/09/83/1366180983.db2.gz POOAMUDSGRNSJI-CQSZACIVSA-N 1 2 328.460 3.278 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N(C)CCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001105536029 1366515697 /nfs/dbraw/zinc/51/56/97/1366515697.db2.gz JDDIJYHTFFWPDU-AWEZNQCLSA-N 1 2 330.476 3.159 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N(C)CCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001105536257 1366515868 /nfs/dbraw/zinc/51/58/68/1366515868.db2.gz TYQPRAJAEWOCGU-HNNXBMFYSA-N 1 2 344.503 3.161 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C3(CC(C)C)CCC3)CC2)C1 ZINC001105714399 1366582027 /nfs/dbraw/zinc/58/20/27/1366582027.db2.gz XFDLATYZYFEFIL-UHFFFAOYSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C3(CCCC)CC3)CC2)C1 ZINC001105724129 1366585773 /nfs/dbraw/zinc/58/57/73/1366585773.db2.gz OQUJLTLIFSGHAL-UHFFFAOYSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H](CC)CC(C)C)CC2)C1 ZINC001105731000 1366588462 /nfs/dbraw/zinc/58/84/62/1366588462.db2.gz HTUYZKRWJXQNKO-KRWDZBQOSA-N 1 2 336.520 3.327 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C3(CC=C)CCCC3)CC2)C1 ZINC001105736055 1366589189 /nfs/dbraw/zinc/58/91/89/1366589189.db2.gz KEUJRTHPMQTKLJ-UHFFFAOYSA-N 1 2 332.488 3.001 20 30 EGEDLO C=CCC1(C(=O)N2CCC(OC3C[NH+](CC(=C)C)C3)CC2)CCCC1 ZINC001105736206 1366589240 /nfs/dbraw/zinc/58/92/40/1366589240.db2.gz QQDOMEWCBQJFDL-UHFFFAOYSA-N 1 2 346.515 3.391 20 30 EGEDLO Cc1cc(NCC[C@@H](C)NC(=O)C#CC(C)(C)C)nc(C2CC2)[nH+]1 ZINC001106303401 1366647504 /nfs/dbraw/zinc/64/75/04/1366647504.db2.gz RKTQVYSSTZUGJD-CYBMUJFWSA-N 1 2 328.460 3.019 20 30 EGEDLO C=CC[C@H](C(=O)N[C@H](C)CCNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001106349734 1366664316 /nfs/dbraw/zinc/66/43/16/1366664316.db2.gz VHZQYUSYMZJXPD-QAPCUYQASA-N 1 2 338.455 3.452 20 30 EGEDLO C=CC(C)(C)CC(=O)NC/C=C\CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107360780 1366942511 /nfs/dbraw/zinc/94/25/11/1366942511.db2.gz BBDHSDXJTJACJB-HJWRWDBZSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]([N@H+](C)Cc2noc3c2CC(C)(C)CC3)C1 ZINC001189317749 1366986930 /nfs/dbraw/zinc/98/69/30/1366986930.db2.gz CNOUJCRNQSZGTQ-HNNXBMFYSA-N 1 2 345.487 3.188 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2noc3c2CC(C)(C)CC3)C1 ZINC001189317749 1366986935 /nfs/dbraw/zinc/98/69/35/1366986935.db2.gz CNOUJCRNQSZGTQ-HNNXBMFYSA-N 1 2 345.487 3.188 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)cc(F)c1 ZINC001109261125 1367031081 /nfs/dbraw/zinc/03/10/81/1367031081.db2.gz SVAPIRNPCXMXQQ-SQNIBIBYSA-N 1 2 346.421 3.236 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)cc(F)c1 ZINC001109261125 1367031088 /nfs/dbraw/zinc/03/10/88/1367031088.db2.gz SVAPIRNPCXMXQQ-SQNIBIBYSA-N 1 2 346.421 3.236 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001109338638 1367064852 /nfs/dbraw/zinc/06/48/52/1367064852.db2.gz RWPANKGROMHNMO-IKGGRYGDSA-N 1 2 331.435 3.045 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001109338638 1367064854 /nfs/dbraw/zinc/06/48/54/1367064854.db2.gz RWPANKGROMHNMO-IKGGRYGDSA-N 1 2 331.435 3.045 20 30 EGEDLO CC1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)CC1 ZINC001109539929 1367188217 /nfs/dbraw/zinc/18/82/17/1367188217.db2.gz ZWNOYSDMZFJXIK-NJAFHUGGSA-N 1 2 341.430 3.109 20 30 EGEDLO CC1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)CC1 ZINC001109539929 1367188223 /nfs/dbraw/zinc/18/82/23/1367188223.db2.gz ZWNOYSDMZFJXIK-NJAFHUGGSA-N 1 2 341.430 3.109 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@]1(C)C[N@H+](Cc2ccsc2)CCO1 ZINC001107971359 1367224943 /nfs/dbraw/zinc/22/49/43/1367224943.db2.gz QKUSFGLUWRWTNT-SFHVURJKSA-N 1 2 336.501 3.058 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@]1(C)C[N@@H+](Cc2ccsc2)CCO1 ZINC001107971359 1367224947 /nfs/dbraw/zinc/22/49/47/1367224947.db2.gz QKUSFGLUWRWTNT-SFHVURJKSA-N 1 2 336.501 3.058 20 30 EGEDLO C#CCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ncoc3C(C)C)C2)CCC1 ZINC001190603677 1367305134 /nfs/dbraw/zinc/30/51/34/1367305134.db2.gz GQPYAFSVUNWARH-MRXNPFEDSA-N 1 2 343.471 3.024 20 30 EGEDLO C#CCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3ncoc3C(C)C)C2)CCC1 ZINC001190603677 1367305140 /nfs/dbraw/zinc/30/51/40/1367305140.db2.gz GQPYAFSVUNWARH-MRXNPFEDSA-N 1 2 343.471 3.024 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC(C)C)c2ccccc2)C1 ZINC001108262687 1367371661 /nfs/dbraw/zinc/37/16/61/1367371661.db2.gz VUUIMFZTJRKKSI-FPOVZHCZSA-N 1 2 344.499 3.209 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC(C)C)c2ccccc2)C1 ZINC001108262687 1367371666 /nfs/dbraw/zinc/37/16/66/1367371666.db2.gz VUUIMFZTJRKKSI-FPOVZHCZSA-N 1 2 344.499 3.209 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc3cc(F)ccc3s2)C1 ZINC001108390449 1367431615 /nfs/dbraw/zinc/43/16/15/1367431615.db2.gz CAGAYPGFGWKYFJ-GOSISDBHSA-N 1 2 348.443 3.047 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc3cc(F)ccc3s2)C1 ZINC001108390449 1367431618 /nfs/dbraw/zinc/43/16/18/1367431618.db2.gz CAGAYPGFGWKYFJ-GOSISDBHSA-N 1 2 348.443 3.047 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)CCc2ccccc2)C1 ZINC001108432022 1367456404 /nfs/dbraw/zinc/45/64/04/1367456404.db2.gz ADWGYBOZWQQDNO-GHTZIAJQSA-N 1 2 344.499 3.039 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)CCc2ccccc2)C1 ZINC001108432022 1367456408 /nfs/dbraw/zinc/45/64/08/1367456408.db2.gz ADWGYBOZWQQDNO-GHTZIAJQSA-N 1 2 344.499 3.039 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCC1(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001110295824 1367618997 /nfs/dbraw/zinc/61/89/97/1367618997.db2.gz LLJFCMMQMHHJMS-UHFFFAOYSA-N 1 2 342.487 3.327 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ncoc2C(C)C)C1 ZINC001191867815 1367619858 /nfs/dbraw/zinc/61/98/58/1367619858.db2.gz JBLMINQPJNPCSD-HOTGVXAUSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2ncoc2C(C)C)C1 ZINC001191867815 1367619863 /nfs/dbraw/zinc/61/98/63/1367619863.db2.gz JBLMINQPJNPCSD-HOTGVXAUSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001191910889 1367634283 /nfs/dbraw/zinc/63/42/83/1367634283.db2.gz AHAMPIMWZSPOSN-DNVCBOLYSA-N 1 2 343.446 3.332 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001191910889 1367634288 /nfs/dbraw/zinc/63/42/88/1367634288.db2.gz AHAMPIMWZSPOSN-DNVCBOLYSA-N 1 2 343.446 3.332 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC001191913357 1367636601 /nfs/dbraw/zinc/63/66/01/1367636601.db2.gz XHEVGPUQWDVOLL-JKSUJKDBSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC001191913357 1367636608 /nfs/dbraw/zinc/63/66/08/1367636608.db2.gz XHEVGPUQWDVOLL-JKSUJKDBSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2noc3c2CCCC3)C1 ZINC001191913600 1367638656 /nfs/dbraw/zinc/63/86/56/1367638656.db2.gz ZMRZZSNOPWIDBU-CVEARBPZSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2noc3c2CCCC3)C1 ZINC001191913600 1367638661 /nfs/dbraw/zinc/63/86/61/1367638661.db2.gz ZMRZZSNOPWIDBU-CVEARBPZSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC2(C1)CCN(c1cc[nH+]c(C)n1)CC2 ZINC001110463688 1367753647 /nfs/dbraw/zinc/75/36/47/1367753647.db2.gz RMCYACFWHJCUOK-HOTGVXAUSA-N 1 2 342.487 3.062 20 30 EGEDLO Cc1nc(N[C@@H]2CCN(C(=O)CC#Cc3ccccc3)[C@@H](C)C2)cc[nH+]1 ZINC001110514587 1367796403 /nfs/dbraw/zinc/79/64/03/1367796403.db2.gz GZQKSZCAMNYZIO-QFBILLFUSA-N 1 2 348.450 3.018 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)C[C@@H]1C ZINC001110525165 1367806130 /nfs/dbraw/zinc/80/61/30/1367806130.db2.gz JUEIWKCRRHMFLE-RDJZCZTQSA-N 1 2 328.460 3.160 20 30 EGEDLO O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1Cl ZINC001110531750 1367812947 /nfs/dbraw/zinc/81/29/47/1367812947.db2.gz MGZMDWLMEXYALG-NXHRZFHOSA-N 1 2 346.833 3.114 20 30 EGEDLO O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1Cl ZINC001110531750 1367812951 /nfs/dbraw/zinc/81/29/51/1367812951.db2.gz MGZMDWLMEXYALG-NXHRZFHOSA-N 1 2 346.833 3.114 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)cs1 ZINC001110598928 1367860414 /nfs/dbraw/zinc/86/04/14/1367860414.db2.gz SLGLOAYLTFDRHC-KFWWJZLASA-N 1 2 333.501 3.275 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001110598928 1367860423 /nfs/dbraw/zinc/86/04/23/1367860423.db2.gz SLGLOAYLTFDRHC-KFWWJZLASA-N 1 2 333.501 3.275 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C1CCCC1 ZINC001110676026 1367918094 /nfs/dbraw/zinc/91/80/94/1367918094.db2.gz NOQZMEQCHOQLPJ-YOEHRIQHSA-N 1 2 330.476 3.474 20 30 EGEDLO C#CCCCCCC(=O)NCC1(C)CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110890548 1368064726 /nfs/dbraw/zinc/06/47/26/1368064726.db2.gz YGGZWDZBGRMOBV-UHFFFAOYSA-N 1 2 342.487 3.091 20 30 EGEDLO COc1ccc(C#N)c(S(=O)(=O)Nc2cc[nH+]c(C(C)(C)C)c2)c1 ZINC001193644895 1368082691 /nfs/dbraw/zinc/08/26/91/1368082691.db2.gz SVIIEGDXMNARPN-UHFFFAOYSA-N 1 2 345.424 3.060 20 30 EGEDLO C=CCCC1(C(=O)NC[C@@]2(C)CCCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001110956823 1368122539 /nfs/dbraw/zinc/12/25/39/1368122539.db2.gz APPBLXZBARHNMO-LJQANCHMSA-N 1 2 342.487 3.254 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1noc2c1CCCC2 ZINC001110964661 1368127164 /nfs/dbraw/zinc/12/71/64/1368127164.db2.gz VTPFBWMPDIXAIZ-KYJSFNMBSA-N 1 2 343.471 3.131 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1noc2c1CCCC2 ZINC001110964661 1368127168 /nfs/dbraw/zinc/12/71/68/1368127168.db2.gz VTPFBWMPDIXAIZ-KYJSFNMBSA-N 1 2 343.471 3.131 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([C@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001111225587 1368200246 /nfs/dbraw/zinc/20/02/46/1368200246.db2.gz NKRWURIKYSJJJD-WMLDXEAASA-N 1 2 328.460 3.202 20 30 EGEDLO C=CCC(CC=C)C(=O)N1C[C@H](C)[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001111251860 1368219399 /nfs/dbraw/zinc/21/93/99/1368219399.db2.gz VJBGHNNXBLYVMC-WMLDXEAASA-N 1 2 328.460 3.060 20 30 EGEDLO C=CCC1(C(=O)N2C[C@H](C)[C@H](CNc3cc[nH+]c(C)n3)C2)CCC1 ZINC001111256298 1368223116 /nfs/dbraw/zinc/22/31/16/1368223116.db2.gz BDDIAPHGPFRQMH-GOEBONIOSA-N 1 2 328.460 3.038 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3nc(C)c(C)o3)C2)CCCC1 ZINC001194531158 1368280884 /nfs/dbraw/zinc/28/08/84/1368280884.db2.gz IZNVTPMATAFTGP-QGZVFWFLSA-N 1 2 345.487 3.461 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3nc(C)c(C)o3)C2)CCCC1 ZINC001194531158 1368280887 /nfs/dbraw/zinc/28/08/87/1368280887.db2.gz IZNVTPMATAFTGP-QGZVFWFLSA-N 1 2 345.487 3.461 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)COc1ccccc1)C2 ZINC001111411990 1368302980 /nfs/dbraw/zinc/30/29/80/1368302980.db2.gz XZQIEJLJUBMCDK-UWIFEVILSA-N 1 2 348.874 3.176 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)COc1ccccc1)C2 ZINC001111411990 1368302982 /nfs/dbraw/zinc/30/29/82/1368302982.db2.gz XZQIEJLJUBMCDK-UWIFEVILSA-N 1 2 348.874 3.176 20 30 EGEDLO CCCCCCCCOC(=O)N[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC001194752283 1368316448 /nfs/dbraw/zinc/31/64/48/1368316448.db2.gz HDZUEGZSCITRDH-SJORKVTESA-N 1 2 326.481 3.326 20 30 EGEDLO CCCCCCCCCCOC(=O)N[C@H]1CC[N@@H+](C2COC2)C1 ZINC001194929035 1368349162 /nfs/dbraw/zinc/34/91/62/1368349162.db2.gz MEKQWRKMMFUCQQ-INIZCTEOSA-N 1 2 326.481 3.326 20 30 EGEDLO CCCCCCCCCCOC(=O)N[C@H]1CC[N@H+](C2COC2)C1 ZINC001194929035 1368349168 /nfs/dbraw/zinc/34/91/68/1368349168.db2.gz MEKQWRKMMFUCQQ-INIZCTEOSA-N 1 2 326.481 3.326 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H](CCNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001111597202 1368361467 /nfs/dbraw/zinc/36/14/67/1368361467.db2.gz SYBNQXDRBQHCAM-MRXNPFEDSA-N 1 2 342.487 3.281 20 30 EGEDLO CCC[C@@H](C)CC(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001195218223 1368403240 /nfs/dbraw/zinc/40/32/40/1368403240.db2.gz SDDDXXXCVXSJIC-QGZVFWFLSA-N 1 2 327.472 3.419 20 30 EGEDLO CCC[C@@H](C)CC(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001195218223 1368403243 /nfs/dbraw/zinc/40/32/43/1368403243.db2.gz SDDDXXXCVXSJIC-QGZVFWFLSA-N 1 2 327.472 3.419 20 30 EGEDLO C=CCCC(=O)N1CCC[N@@H+](Cc2cccc(OC)c2Cl)CC1 ZINC001195225615 1368403899 /nfs/dbraw/zinc/40/38/99/1368403899.db2.gz GYBRZFIUKYLFON-UHFFFAOYSA-N 1 2 336.863 3.349 20 30 EGEDLO C=CCCC(=O)N1CCC[N@H+](Cc2cccc(OC)c2Cl)CC1 ZINC001195225615 1368403900 /nfs/dbraw/zinc/40/39/00/1368403900.db2.gz GYBRZFIUKYLFON-UHFFFAOYSA-N 1 2 336.863 3.349 20 30 EGEDLO C=CCCC(=O)N1CCC[N@@H+](Cc2cc(OC)ccc2Cl)CC1 ZINC001195225505 1368404173 /nfs/dbraw/zinc/40/41/73/1368404173.db2.gz DXTHHGSECUIWER-UHFFFAOYSA-N 1 2 336.863 3.349 20 30 EGEDLO C=CCCC(=O)N1CCC[N@H+](Cc2cc(OC)ccc2Cl)CC1 ZINC001195225505 1368404176 /nfs/dbraw/zinc/40/41/76/1368404176.db2.gz DXTHHGSECUIWER-UHFFFAOYSA-N 1 2 336.863 3.349 20 30 EGEDLO CC[C@H](C)CC(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001195666829 1368468439 /nfs/dbraw/zinc/46/84/39/1368468439.db2.gz FDOSMKPUHXSAMG-KRWDZBQOSA-N 1 2 330.447 3.148 20 30 EGEDLO CC[C@H](C)CC(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001195666829 1368468443 /nfs/dbraw/zinc/46/84/43/1368468443.db2.gz FDOSMKPUHXSAMG-KRWDZBQOSA-N 1 2 330.447 3.148 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@@H+](Cc2c(Cl)cccc2OC)CC1 ZINC001195674632 1368469805 /nfs/dbraw/zinc/46/98/05/1368469805.db2.gz IVPWPBCZBDKKRM-UHFFFAOYSA-N 1 2 348.874 3.186 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@H+](Cc2c(Cl)cccc2OC)CC1 ZINC001195674632 1368469806 /nfs/dbraw/zinc/46/98/06/1368469806.db2.gz IVPWPBCZBDKKRM-UHFFFAOYSA-N 1 2 348.874 3.186 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cscn1)C2 ZINC001111848770 1368503011 /nfs/dbraw/zinc/50/30/11/1368503011.db2.gz SPEDMBYULHVHAT-MPGHIAIKSA-N 1 2 333.501 3.216 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cscn1)C2 ZINC001111848770 1368503015 /nfs/dbraw/zinc/50/30/15/1368503015.db2.gz SPEDMBYULHVHAT-MPGHIAIKSA-N 1 2 333.501 3.216 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N1CCC[N@H+](CC=C(Cl)Cl)CC1)OCC ZINC001196024719 1368538113 /nfs/dbraw/zinc/53/81/13/1368538113.db2.gz JVCXUVGWIWQHDH-CQSZACIVSA-N 1 2 349.302 3.211 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N1CCC[N@@H+](CC=C(Cl)Cl)CC1)OCC ZINC001196024719 1368538117 /nfs/dbraw/zinc/53/81/17/1368538117.db2.gz JVCXUVGWIWQHDH-CQSZACIVSA-N 1 2 349.302 3.211 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C(=O)CCCC3CC3)CC2)c1 ZINC001196862369 1368702396 /nfs/dbraw/zinc/70/23/96/1368702396.db2.gz GXWCAHQATKHCDB-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)CCCC3CC3)CC2)c1 ZINC001196862369 1368702398 /nfs/dbraw/zinc/70/23/98/1368702398.db2.gz GXWCAHQATKHCDB-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO C#CCC1(C(=O)N2C[C@H](C)[C@H](Nc3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001112319568 1368763194 /nfs/dbraw/zinc/76/31/94/1368763194.db2.gz CMSDTUASZBQUFI-DOTOQJQBSA-N 1 2 340.471 3.018 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC001112325818 1368767213 /nfs/dbraw/zinc/76/72/13/1368767213.db2.gz WAJKOHLVECEVKF-KSSFIOAISA-N 1 2 342.487 3.279 20 30 EGEDLO CC#CCCCC(=O)N1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@@H](C)C1 ZINC001112333770 1368772063 /nfs/dbraw/zinc/77/20/63/1368772063.db2.gz LDIMGHXVMZMUKZ-YOEHRIQHSA-N 1 2 340.471 3.115 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001197291872 1368780970 /nfs/dbraw/zinc/78/09/70/1368780970.db2.gz OPRWFNJPEYZMDS-UHFFFAOYSA-N 1 2 343.446 3.334 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001197291872 1368780971 /nfs/dbraw/zinc/78/09/71/1368780971.db2.gz OPRWFNJPEYZMDS-UHFFFAOYSA-N 1 2 343.446 3.334 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001197292326 1368781925 /nfs/dbraw/zinc/78/19/25/1368781925.db2.gz WMGKRNBQSOROPI-UHFFFAOYSA-N 1 2 343.446 3.334 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001197292326 1368781928 /nfs/dbraw/zinc/78/19/28/1368781928.db2.gz WMGKRNBQSOROPI-UHFFFAOYSA-N 1 2 343.446 3.334 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001112384260 1368812692 /nfs/dbraw/zinc/81/26/92/1368812692.db2.gz IOVXJOIDICDWRF-HNAYVOBHSA-N 1 2 330.476 3.108 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CCN(c3cc[nH+]c(C)n3)C[C@H]2C)CCCC1 ZINC001112416326 1368833952 /nfs/dbraw/zinc/83/39/52/1368833952.db2.gz AZZORZSLHJAQJU-NVXWUHKLSA-N 1 2 342.487 3.253 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001112428230 1368842421 /nfs/dbraw/zinc/84/24/21/1368842421.db2.gz DDGUYKCAAGILSQ-DYVFJYSZSA-N 1 2 344.503 3.335 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C[C@@H]1C ZINC001112433267 1368848683 /nfs/dbraw/zinc/84/86/83/1368848683.db2.gz ILPLVIAPLQMYQA-GUYCJALGSA-N 1 2 330.476 3.089 20 30 EGEDLO CCC[C@H](CC)C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC001197597443 1368849507 /nfs/dbraw/zinc/84/95/07/1368849507.db2.gz PUIXPHRPIOLSGJ-FQEVSTJZSA-N 1 2 326.484 3.399 20 30 EGEDLO CCC[C@H](CC)C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001197597443 1368849511 /nfs/dbraw/zinc/84/95/11/1368849511.db2.gz PUIXPHRPIOLSGJ-FQEVSTJZSA-N 1 2 326.484 3.399 20 30 EGEDLO CC(C)C[C@@H](C)C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001197597604 1368849564 /nfs/dbraw/zinc/84/95/64/1368849564.db2.gz QTNJLESKIRCMQV-GOSISDBHSA-N 1 2 344.474 3.394 20 30 EGEDLO CC(C)C[C@@H](C)C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001197597604 1368849568 /nfs/dbraw/zinc/84/95/68/1368849568.db2.gz QTNJLESKIRCMQV-GOSISDBHSA-N 1 2 344.474 3.394 20 30 EGEDLO CC(C)C#CC(=O)N1CC[NH+](Cc2cccc(OCC(C)C)c2)CC1 ZINC001112833107 1369034249 /nfs/dbraw/zinc/03/42/49/1369034249.db2.gz HFSVTDNIYGZNSV-UHFFFAOYSA-N 1 2 342.483 3.025 20 30 EGEDLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC001112836981 1369036618 /nfs/dbraw/zinc/03/66/18/1369036618.db2.gz OVNBACYFQTUTCJ-SFHVURJKSA-N 1 2 330.447 3.471 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC001112880955 1369064840 /nfs/dbraw/zinc/06/48/40/1369064840.db2.gz UTCRHWMATCEWSV-UHFFFAOYSA-N 1 2 328.456 3.108 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[NH+](CCOc2cc(C)ccc2C)CC1 ZINC001113239707 1369287085 /nfs/dbraw/zinc/28/70/85/1369287085.db2.gz OBHXJZMTZOBBTD-IBGZPJMESA-N 1 2 344.499 3.429 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@H](C)[C@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC001113269344 1369305386 /nfs/dbraw/zinc/30/53/86/1369305386.db2.gz OGMPESVSZLSQIH-LSDHHAIUSA-N 1 2 348.450 3.263 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H](C)[C@H](C)Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001113286457 1369319538 /nfs/dbraw/zinc/31/95/38/1369319538.db2.gz LCXITWCIUCMWMA-UONOGXRCSA-N 1 2 342.487 3.325 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccc4c(c3)COC4)CC2)CCC1 ZINC001113312881 1369339527 /nfs/dbraw/zinc/33/95/27/1369339527.db2.gz VZCGNZAVAHLTEW-UHFFFAOYSA-N 1 2 340.467 3.107 20 30 EGEDLO CCCCCCCCCNC(=S)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001200369384 1369356220 /nfs/dbraw/zinc/35/62/20/1369356220.db2.gz VDQSRUVGDWSFRR-QGZVFWFLSA-N 1 2 341.565 3.018 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[NH+](CCOc2ccccc2C)CC1 ZINC001113390877 1369392094 /nfs/dbraw/zinc/39/20/94/1369392094.db2.gz YKTRXEASGYMZHZ-UHFFFAOYSA-N 1 2 330.472 3.120 20 30 EGEDLO C#CCCCCCC(=O)N(C)CC(C)(C)CNc1cc[nH+]c(C)n1 ZINC001113447278 1369435998 /nfs/dbraw/zinc/43/59/98/1369435998.db2.gz IQVWUFHWTNVZOT-UHFFFAOYSA-N 1 2 330.476 3.265 20 30 EGEDLO C=CCCCCC[NH+]1CCN(C(=O)c2snnc2C(C)C)CC1 ZINC001113448958 1369437699 /nfs/dbraw/zinc/43/76/99/1369437699.db2.gz OCOXYFXCBDPURC-UHFFFAOYSA-N 1 2 336.505 3.166 20 30 EGEDLO CCC[C@@H](CC)C(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001113470039 1369454254 /nfs/dbraw/zinc/45/42/54/1369454254.db2.gz GBPXBILJBQLMEB-GOSISDBHSA-N 1 2 343.471 3.059 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001113823921 1369624260 /nfs/dbraw/zinc/62/42/60/1369624260.db2.gz GBGTUOUNIBJBNB-MRXNPFEDSA-N 1 2 330.476 3.043 20 30 EGEDLO Cc1cc(N[C@@H](CCN(C)C(=O)[C@@H](C)C#N)C(C)C)nc(C2CC2)[nH+]1 ZINC001114085263 1369726085 /nfs/dbraw/zinc/72/60/85/1369726085.db2.gz VDAIGLBLYIHUNP-BBRMVZONSA-N 1 2 343.475 3.107 20 30 EGEDLO CC#CCCCC(=O)N(C)CC[C@H](Nc1cc[nH+]c(C)n1)C(C)C ZINC001114110558 1369742221 /nfs/dbraw/zinc/74/22/21/1369742221.db2.gz SMJSGDCOHAYSOP-KRWDZBQOSA-N 1 2 330.476 3.264 20 30 EGEDLO CC/C(C)=C/C(=O)NC1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@@H]12 ZINC001114242640 1369822831 /nfs/dbraw/zinc/82/28/31/1369822831.db2.gz PWUMBHYYXTYJLQ-ZNFOYOTGSA-N 1 2 342.870 3.094 20 30 EGEDLO CC/C(C)=C/C(=O)NC1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@@H]12 ZINC001114242640 1369822832 /nfs/dbraw/zinc/82/28/32/1369822832.db2.gz PWUMBHYYXTYJLQ-ZNFOYOTGSA-N 1 2 342.870 3.094 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@H](CCCC)CNc2cc[nH+]c(C)n2)cc1 ZINC001114293051 1369858090 /nfs/dbraw/zinc/85/80/90/1369858090.db2.gz BOLYEEORVYSUMV-GOSISDBHSA-N 1 2 336.439 3.167 20 30 EGEDLO C=CCC(CC=C)C(=O)NC1[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@@H]12 ZINC001114326562 1369887113 /nfs/dbraw/zinc/88/71/13/1369887113.db2.gz UQHGATDGKTWOEI-HOKYRUAASA-N 1 2 329.271 3.120 20 30 EGEDLO C=CCC(CC=C)C(=O)NC1[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@@H]12 ZINC001114326562 1369887131 /nfs/dbraw/zinc/88/71/31/1369887131.db2.gz UQHGATDGKTWOEI-HOKYRUAASA-N 1 2 329.271 3.120 20 30 EGEDLO C=CCCC(=O)N[C@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)CC1(C)C ZINC001114431715 1369941465 /nfs/dbraw/zinc/94/14/65/1369941465.db2.gz YVZWSBIXOABMAP-HNNXBMFYSA-N 1 2 330.476 3.206 20 30 EGEDLO Cc1cc(NC[C@@H]2C[C@H](C)N(C(=O)C#CC(C)C)C2)nc(C(C)C)[nH+]1 ZINC001114682501 1370023224 /nfs/dbraw/zinc/02/32/24/1370023224.db2.gz YKSNDTUVXLENES-IRXDYDNUSA-N 1 2 342.487 3.217 20 30 EGEDLO COc1ccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)c(OC)c1OC ZINC001203457102 1370133853 /nfs/dbraw/zinc/13/38/53/1370133853.db2.gz SWZZITDQCDNYLX-UHFFFAOYSA-N 1 2 338.407 3.142 20 30 EGEDLO COc1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)c(OC)c1OC ZINC001203457102 1370133855 /nfs/dbraw/zinc/13/38/55/1370133855.db2.gz SWZZITDQCDNYLX-UHFFFAOYSA-N 1 2 338.407 3.142 20 30 EGEDLO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3C#N)CC2)cc1 ZINC001204372395 1370457414 /nfs/dbraw/zinc/45/74/14/1370457414.db2.gz CSSOTURGVXGSMG-UHFFFAOYSA-N 1 2 349.434 3.057 20 30 EGEDLO C=CCC(CC=C)C(=O)N(C)[C@H](CNc1cc[nH+]c(C)n1)C1CC1 ZINC001115544301 1370541020 /nfs/dbraw/zinc/54/10/20/1370541020.db2.gz OFTAMFKSODOXBB-QGZVFWFLSA-N 1 2 328.460 3.202 20 30 EGEDLO N#Cc1ccc(COC2CC[NH+](CC(=O)c3cccs3)CC2)cc1 ZINC001205604652 1370807452 /nfs/dbraw/zinc/80/74/52/1370807452.db2.gz YDSIOXOLTXQRGS-UHFFFAOYSA-N 1 2 340.448 3.484 20 30 EGEDLO CC(C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001205800984 1370875116 /nfs/dbraw/zinc/87/51/16/1370875116.db2.gz JMBZIWTZUOQEDQ-CRAIPNDOSA-N 1 2 332.875 3.174 20 30 EGEDLO CC(C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001205800984 1370875119 /nfs/dbraw/zinc/87/51/19/1370875119.db2.gz JMBZIWTZUOQEDQ-CRAIPNDOSA-N 1 2 332.875 3.174 20 30 EGEDLO CS(=O)(=O)c1ccccc1N[NH+]=Cc1ccccc1N1CCCC1 ZINC001116288291 1370878100 /nfs/dbraw/zinc/87/81/00/1370878100.db2.gz KTNSJXBZRXTTIJ-UHFFFAOYSA-N 1 2 343.452 3.136 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)CCC)C1 ZINC001206502123 1371075066 /nfs/dbraw/zinc/07/50/66/1371075066.db2.gz MFTXCEKMQZLNLN-OUCADQQQSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)CCC)C1 ZINC001206502123 1371075062 /nfs/dbraw/zinc/07/50/62/1371075062.db2.gz MFTXCEKMQZLNLN-OUCADQQQSA-N 1 2 331.298 3.158 20 30 EGEDLO CCC(=CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)CC ZINC001206872993 1371199158 /nfs/dbraw/zinc/19/91/58/1371199158.db2.gz AYUPETJGPUWHPI-AUUYWEPGSA-N 1 2 343.446 3.380 20 30 EGEDLO CCC(=CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)CC ZINC001206872993 1371199162 /nfs/dbraw/zinc/19/91/62/1371199162.db2.gz AYUPETJGPUWHPI-AUUYWEPGSA-N 1 2 343.446 3.380 20 30 EGEDLO C=CCN(CC[N@@H+]1CCC(=O)[C@H]2CCCC[C@@H]21)C(=O)OC(C)(C)C ZINC001207199682 1371327743 /nfs/dbraw/zinc/32/77/43/1371327743.db2.gz PYGAAXONXRLJLR-HOTGVXAUSA-N 1 2 336.476 3.243 20 30 EGEDLO C=CCN(CC[N@H+]1CCC(=O)[C@H]2CCCC[C@@H]21)C(=O)OC(C)(C)C ZINC001207199682 1371327749 /nfs/dbraw/zinc/32/77/49/1371327749.db2.gz PYGAAXONXRLJLR-HOTGVXAUSA-N 1 2 336.476 3.243 20 30 EGEDLO C=C(C)CCC(=O)N(C)C[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001120163936 1371497543 /nfs/dbraw/zinc/49/75/43/1371497543.db2.gz IVXNGYQBSGWXRX-CQSZACIVSA-N 1 2 330.476 3.279 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ncc(C4CC4)o3)C[C@H]2C)CC1 ZINC001208500267 1371788640 /nfs/dbraw/zinc/78/86/40/1371788640.db2.gz LSRQEMBDXMDDEV-GDBMZVCRSA-N 1 2 343.471 3.235 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3ncc(C4CC4)o3)C[C@H]2C)CC1 ZINC001208500267 1371788643 /nfs/dbraw/zinc/78/86/43/1371788643.db2.gz LSRQEMBDXMDDEV-GDBMZVCRSA-N 1 2 343.471 3.235 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208508622 1371792562 /nfs/dbraw/zinc/79/25/62/1371792562.db2.gz BNEOIWKAJKUWQM-LXGCGDOSSA-N 1 2 343.446 3.236 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208508622 1371792567 /nfs/dbraw/zinc/79/25/67/1371792567.db2.gz BNEOIWKAJKUWQM-LXGCGDOSSA-N 1 2 343.446 3.236 20 30 EGEDLO CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)CC1 ZINC001208539051 1371808069 /nfs/dbraw/zinc/80/80/69/1371808069.db2.gz ZUKWMZFARZCSHD-RDTXWAMCSA-N 1 2 343.446 3.214 20 30 EGEDLO CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)CC1 ZINC001208539051 1371808073 /nfs/dbraw/zinc/80/80/73/1371808073.db2.gz ZUKWMZFARZCSHD-RDTXWAMCSA-N 1 2 343.446 3.214 20 30 EGEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+]1CCCc1cccc(C#N)c1 ZINC001208854209 1371918990 /nfs/dbraw/zinc/91/89/90/1371918990.db2.gz LDBDPIKJLKXAGN-KRWDZBQOSA-N 1 2 329.444 3.390 20 30 EGEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+]1CCCc1cccc(C#N)c1 ZINC001208854209 1371918992 /nfs/dbraw/zinc/91/89/92/1371918992.db2.gz LDBDPIKJLKXAGN-KRWDZBQOSA-N 1 2 329.444 3.390 20 30 EGEDLO CCOC(=O)C[N@H+](CCc1ccc(C#N)cc1)Cc1ccsc1 ZINC001208927408 1371948166 /nfs/dbraw/zinc/94/81/66/1371948166.db2.gz GZTWEOPYNOUVAE-UHFFFAOYSA-N 1 2 328.437 3.228 20 30 EGEDLO CCOC(=O)C[N@@H+](CCc1ccc(C#N)cc1)Cc1ccsc1 ZINC001208927408 1371948169 /nfs/dbraw/zinc/94/81/69/1371948169.db2.gz GZTWEOPYNOUVAE-UHFFFAOYSA-N 1 2 328.437 3.228 20 30 EGEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCCC[C@@H]1CC ZINC001121495194 1371991927 /nfs/dbraw/zinc/99/19/27/1371991927.db2.gz DHKLJXJUVFCOMO-IRXDYDNUSA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCCC[C@@H]1CC ZINC001121495194 1371991931 /nfs/dbraw/zinc/99/19/31/1371991931.db2.gz DHKLJXJUVFCOMO-IRXDYDNUSA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N(CC1CC1)C1CCC1 ZINC001121509075 1371994939 /nfs/dbraw/zinc/99/49/39/1371994939.db2.gz CUSLCECXUPIWSO-QGZVFWFLSA-N 1 2 329.492 3.390 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(CC1CC1)C1CCC1 ZINC001121509075 1371994941 /nfs/dbraw/zinc/99/49/41/1371994941.db2.gz CUSLCECXUPIWSO-QGZVFWFLSA-N 1 2 329.492 3.390 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2nc(CCCC)no2)C1 ZINC001209146758 1372014227 /nfs/dbraw/zinc/01/42/27/1372014227.db2.gz QJDKHJRXYJVGCR-JKSUJKDBSA-N 1 2 348.491 3.095 20 30 EGEDLO COc1cc(C#N)ccc1Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC001209259681 1372052804 /nfs/dbraw/zinc/05/28/04/1372052804.db2.gz DZYFRMHDKHOLKH-OKILXGFUSA-N 1 2 338.411 3.319 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nc(CCCC)no2)C1 ZINC001209346982 1372073211 /nfs/dbraw/zinc/07/32/11/1372073211.db2.gz YITSVQBAIAOFFZ-HOTGVXAUSA-N 1 2 348.491 3.410 20 30 EGEDLO Cc1cc(C#N)cc(C#N)c1Nc1ccccc1C[NH+]1CCOCC1 ZINC001209929608 1372232841 /nfs/dbraw/zinc/23/28/41/1372232841.db2.gz FINUIKVXCRCMCC-UHFFFAOYSA-N 1 2 332.407 3.314 20 30 EGEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001122400951 1372241984 /nfs/dbraw/zinc/24/19/84/1372241984.db2.gz WWVDXQKLKOQUCY-OAHLLOKOSA-N 1 2 342.491 3.051 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)Cc2ccccc2)C1 ZINC001210056995 1372264186 /nfs/dbraw/zinc/26/41/86/1372264186.db2.gz GSQLPTLVGRMGHQ-RHSMWYFYSA-N 1 2 334.891 3.444 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)Cc2ccccc2)C1 ZINC001210056995 1372264189 /nfs/dbraw/zinc/26/41/89/1372264189.db2.gz GSQLPTLVGRMGHQ-RHSMWYFYSA-N 1 2 334.891 3.444 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001122536595 1372268324 /nfs/dbraw/zinc/26/83/24/1372268324.db2.gz HVCUEYGTSDEFRK-FGTMMUONSA-N 1 2 341.503 3.413 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001122536595 1372268328 /nfs/dbraw/zinc/26/83/28/1372268328.db2.gz HVCUEYGTSDEFRK-FGTMMUONSA-N 1 2 341.503 3.413 20 30 EGEDLO C#CCCCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)[C@H]1C ZINC001122977855 1372352962 /nfs/dbraw/zinc/35/29/62/1372352962.db2.gz OIOGMTGRHHLBMB-HZPDHXFCSA-N 1 2 328.460 3.113 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)[C@H]1C ZINC001123068523 1372373839 /nfs/dbraw/zinc/37/38/39/1372373839.db2.gz USTVVOAPQNSSII-RHSMWYFYSA-N 1 2 342.487 3.421 20 30 EGEDLO C=C(C)CCC(=O)N[C@@]12CCC[C@@H]1N(c1nc(C)[nH+]c(C)c1C)CC2 ZINC001123438395 1372468607 /nfs/dbraw/zinc/46/86/07/1372468607.db2.gz HKZPJOOHHGCLHY-FXAWDEMLSA-N 1 2 342.487 3.376 20 30 EGEDLO C#CCCCCC(=O)N1C[C@@H]2CCC[C@@H](Nc3cc[nH+]c(C)n3)[C@@H]2C1 ZINC001123487107 1372487074 /nfs/dbraw/zinc/48/70/74/1372487074.db2.gz MTISXLCLSBOARA-RCCFBDPRSA-N 1 2 340.471 3.018 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001123660840 1372545832 /nfs/dbraw/zinc/54/58/32/1372545832.db2.gz HHYXFKBPOPQOIE-SJLPKXTDSA-N 1 2 342.487 3.069 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ncc(C)o3)C[C@H]2C)CCCC1 ZINC001211493116 1372568639 /nfs/dbraw/zinc/56/86/39/1372568639.db2.gz VSUARZYNCDHHTA-GDBMZVCRSA-N 1 2 331.460 3.056 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ncc(C)o3)C[C@H]2C)CCCC1 ZINC001211493116 1372568641 /nfs/dbraw/zinc/56/86/41/1372568641.db2.gz VSUARZYNCDHHTA-GDBMZVCRSA-N 1 2 331.460 3.056 20 30 EGEDLO C#CCCCC(=O)N1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C(C)(C)C1 ZINC001123946351 1372634489 /nfs/dbraw/zinc/63/44/89/1372634489.db2.gz HTIGXHCXUPKBES-INIZCTEOSA-N 1 2 340.471 3.115 20 30 EGEDLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc(C#N)cc1N ZINC001213355441 1372890888 /nfs/dbraw/zinc/89/08/88/1372890888.db2.gz ADBMNUGSAGYZEW-UHFFFAOYSA-N 1 2 334.383 3.036 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H](C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001126684109 1372998381 /nfs/dbraw/zinc/99/83/81/1372998381.db2.gz DZPCARIXVKMRNX-KUHUBIRLSA-N 1 2 330.476 3.108 20 30 EGEDLO C=CCC1(C(=O)N[C@@H](C)C2CCN(c3cc[nH+]c(C)n3)CC2)CCC1 ZINC001126776185 1373020305 /nfs/dbraw/zinc/02/03/05/1373020305.db2.gz SBICZZWDQWWYJG-HNNXBMFYSA-N 1 2 342.487 3.253 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001127731923 1373169971 /nfs/dbraw/zinc/16/99/71/1373169971.db2.gz JTSYTXSWGLNJIR-UHFFFAOYSA-N 1 2 342.487 3.257 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)C3CCCC3)c2C1 ZINC001128136591 1373222215 /nfs/dbraw/zinc/22/22/15/1373222215.db2.gz QUEDFFCYVSBSAT-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)C3CCCC3)c2C1 ZINC001128136591 1373222216 /nfs/dbraw/zinc/22/22/16/1373222216.db2.gz QUEDFFCYVSBSAT-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@H](C)C3CC3)c2C1 ZINC001128290106 1373246367 /nfs/dbraw/zinc/24/63/67/1373246367.db2.gz NSJSJSFXBYBPSS-MRXNPFEDSA-N 1 2 346.519 3.331 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@H](C)C3CC3)c2C1 ZINC001128290106 1373246370 /nfs/dbraw/zinc/24/63/70/1373246370.db2.gz NSJSJSFXBYBPSS-MRXNPFEDSA-N 1 2 346.519 3.331 20 30 EGEDLO C#CCCCCC(=O)NCc1cnn2c1C[N@H+](CCCCCC)CC2 ZINC001128316030 1373250746 /nfs/dbraw/zinc/25/07/46/1373250746.db2.gz GEMUQDORZBWYMP-UHFFFAOYSA-N 1 2 344.503 3.089 20 30 EGEDLO C#CCCCCC(=O)NCc1cnn2c1C[N@@H+](CCCCCC)CC2 ZINC001128316030 1373250749 /nfs/dbraw/zinc/25/07/49/1373250749.db2.gz GEMUQDORZBWYMP-UHFFFAOYSA-N 1 2 344.503 3.089 20 30 EGEDLO C=C(C)CCC(=O)NCc1cnn2c1C[N@H+](CCCCCC)CC2 ZINC001128372673 1373258233 /nfs/dbraw/zinc/25/82/33/1373258233.db2.gz QMGYHALWGPCJMC-UHFFFAOYSA-N 1 2 332.492 3.252 20 30 EGEDLO C=C(C)CCC(=O)NCc1cnn2c1C[N@@H+](CCCCCC)CC2 ZINC001128372673 1373258238 /nfs/dbraw/zinc/25/82/38/1373258238.db2.gz QMGYHALWGPCJMC-UHFFFAOYSA-N 1 2 332.492 3.252 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)CC3CCCCCC3)c2C1 ZINC001128509354 1373279619 /nfs/dbraw/zinc/27/96/19/1373279619.db2.gz KEPVSWCSKRGGSC-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)CC3CCCCCC3)c2C1 ZINC001128509354 1373279621 /nfs/dbraw/zinc/27/96/21/1373279621.db2.gz KEPVSWCSKRGGSC-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO CCCCCCCCC(=O)NCc1cnn2c1C[N@@H+](C(C)C)CC2 ZINC001128560166 1373290900 /nfs/dbraw/zinc/29/09/00/1373290900.db2.gz JQZZUOSPWUBAQK-UHFFFAOYSA-N 1 2 334.508 3.474 20 30 EGEDLO CCCCCCCCC(=O)NCc1cnn2c1C[N@H+](C(C)C)CC2 ZINC001128560166 1373290906 /nfs/dbraw/zinc/29/09/06/1373290906.db2.gz JQZZUOSPWUBAQK-UHFFFAOYSA-N 1 2 334.508 3.474 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)C(C)(C)C)c2C1 ZINC001128560788 1373291564 /nfs/dbraw/zinc/29/15/64/1373291564.db2.gz YIALVORZEKLHME-UHFFFAOYSA-N 1 2 334.508 3.331 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)C(C)(C)C)c2C1 ZINC001128560788 1373291567 /nfs/dbraw/zinc/29/15/67/1373291567.db2.gz YIALVORZEKLHME-UHFFFAOYSA-N 1 2 334.508 3.331 20 30 EGEDLO N#Cc1cccc(Nc2cccc(OCC[NH+]3CCOCC3)c2)c1F ZINC001216415548 1373306414 /nfs/dbraw/zinc/30/64/14/1373306414.db2.gz FNPCHSGPTGEWJH-UHFFFAOYSA-N 1 2 341.386 3.152 20 30 EGEDLO C=CCC1(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H](C)c3noc(C)n3)C2)CCCC1 ZINC001217110181 1373388765 /nfs/dbraw/zinc/38/87/65/1373388765.db2.gz DBNIPYOQQNBOTR-IIAWOOMASA-N 1 2 346.475 3.012 20 30 EGEDLO C=CCCC[N@@H+]1Cc2cnn(C3CCN(C(=O)C=C(C)C)CC3)c2C1 ZINC001130163845 1373466608 /nfs/dbraw/zinc/46/66/08/1373466608.db2.gz VFAWHCAWGUPLLC-UHFFFAOYSA-N 1 2 342.487 3.295 20 30 EGEDLO C=CCCC[N@H+]1Cc2cnn(C3CCN(C(=O)C=C(C)C)CC3)c2C1 ZINC001130163845 1373466610 /nfs/dbraw/zinc/46/66/10/1373466610.db2.gz VFAWHCAWGUPLLC-UHFFFAOYSA-N 1 2 342.487 3.295 20 30 EGEDLO C=CCCC[N@@H+]1Cc2cnn(C3CCN(C(=O)[C@H](F)CC)CC3)c2C1 ZINC001130167207 1373468024 /nfs/dbraw/zinc/46/80/24/1373468024.db2.gz YZXMEILWNRACGF-QGZVFWFLSA-N 1 2 348.466 3.077 20 30 EGEDLO C=CCCC[N@H+]1Cc2cnn(C3CCN(C(=O)[C@H](F)CC)CC3)c2C1 ZINC001130167207 1373468028 /nfs/dbraw/zinc/46/80/28/1373468028.db2.gz YZXMEILWNRACGF-QGZVFWFLSA-N 1 2 348.466 3.077 20 30 EGEDLO C=C1CC[NH2+]C[C@@H]1Oc1cc(O)cc2oc(-c3ccccc3)cc(=O)c12 ZINC001218204542 1373578310 /nfs/dbraw/zinc/57/83/10/1373578310.db2.gz QVWQOSLZLJJQMH-FQEVSTJZSA-N 1 2 349.386 3.463 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2CC[N@H+](Cc3cscn3)[C@H]2C1 ZINC001222762508 1373872650 /nfs/dbraw/zinc/87/26/50/1373872650.db2.gz ASKRYDCAKRHVBZ-ZBFHGGJFSA-N 1 2 333.501 3.168 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3cscn3)[C@H]2C1 ZINC001222762508 1373872655 /nfs/dbraw/zinc/87/26/55/1373872655.db2.gz ASKRYDCAKRHVBZ-ZBFHGGJFSA-N 1 2 333.501 3.168 20 30 EGEDLO CC#CCCCC(=O)NCC1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC001224156825 1375057320 /nfs/dbraw/zinc/05/73/20/1375057320.db2.gz AESBARAHPXFLOS-PTNGSMBKSA-N 1 2 331.287 3.327 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1ccncc1Cl ZINC001132034238 1375109905 /nfs/dbraw/zinc/10/99/05/1375109905.db2.gz PKZLGHOBRHMQHE-HOCLYGCPSA-N 1 2 347.890 3.254 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1ccncc1Cl ZINC001132034238 1375109911 /nfs/dbraw/zinc/10/99/11/1375109911.db2.gz PKZLGHOBRHMQHE-HOCLYGCPSA-N 1 2 347.890 3.254 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1cccc(Cl)c1F ZINC001132046236 1375116118 /nfs/dbraw/zinc/11/61/18/1375116118.db2.gz NJHYYZDFCFXWAH-CJNGLKHVSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1cccc(Cl)c1F ZINC001132046236 1375116119 /nfs/dbraw/zinc/11/61/19/1375116119.db2.gz NJHYYZDFCFXWAH-CJNGLKHVSA-N 1 2 348.849 3.362 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cncc(F)c2)C1 ZINC001132056653 1375122321 /nfs/dbraw/zinc/12/23/21/1375122321.db2.gz AZYFYSPJHRXPLW-BEFAXECRSA-N 1 2 345.462 3.458 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cncc(F)c2)C1 ZINC001132056653 1375122324 /nfs/dbraw/zinc/12/23/24/1375122324.db2.gz AZYFYSPJHRXPLW-BEFAXECRSA-N 1 2 345.462 3.458 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=C)Br)C1 ZINC001132069046 1375131316 /nfs/dbraw/zinc/13/13/16/1375131316.db2.gz NPVASQIWCJMOJL-ZIAGYGMSSA-N 1 2 343.309 3.466 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=C)Br)C1 ZINC001132069046 1375131319 /nfs/dbraw/zinc/13/13/19/1375131319.db2.gz NPVASQIWCJMOJL-ZIAGYGMSSA-N 1 2 343.309 3.466 20 30 EGEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(Br)ccc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225675771 1375142022 /nfs/dbraw/zinc/14/20/22/1375142022.db2.gz YREKOEGMOAPAQG-LSVRBPJHSA-N 1 2 344.636 3.094 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001132218266 1375215621 /nfs/dbraw/zinc/21/56/21/1375215621.db2.gz OHMZESGKBVOKBW-RHSMWYFYSA-N 1 2 343.446 3.379 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001132218266 1375215623 /nfs/dbraw/zinc/21/56/23/1375215623.db2.gz OHMZESGKBVOKBW-RHSMWYFYSA-N 1 2 343.446 3.379 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001132218835 1375217514 /nfs/dbraw/zinc/21/75/14/1375217514.db2.gz WVZHXUBVFOUEDW-UKRRQHHQSA-N 1 2 335.879 3.416 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(Cl)n2)C1 ZINC001132218835 1375217517 /nfs/dbraw/zinc/21/75/17/1375217517.db2.gz WVZHXUBVFOUEDW-UKRRQHHQSA-N 1 2 335.879 3.416 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(C)on2)C1 ZINC001132227971 1375223243 /nfs/dbraw/zinc/22/32/43/1375223243.db2.gz JVJXHQSTCLWSPI-DOTOQJQBSA-N 1 2 331.460 3.036 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cc(C)on2)C1 ZINC001132227971 1375223246 /nfs/dbraw/zinc/22/32/46/1375223246.db2.gz JVJXHQSTCLWSPI-DOTOQJQBSA-N 1 2 331.460 3.036 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ncc(CC)o2)C1 ZINC001132228428 1375224577 /nfs/dbraw/zinc/22/45/77/1375224577.db2.gz QNBAEBGERULRHL-IAGOWNOFSA-N 1 2 345.487 3.290 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ncc(CC)o2)C1 ZINC001132228428 1375224580 /nfs/dbraw/zinc/22/45/80/1375224580.db2.gz QNBAEBGERULRHL-IAGOWNOFSA-N 1 2 345.487 3.290 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001132236150 1375231654 /nfs/dbraw/zinc/23/16/54/1375231654.db2.gz ZANIGEVCCKJAKS-RDJZCZTQSA-N 1 2 347.890 3.398 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001132236150 1375231657 /nfs/dbraw/zinc/23/16/57/1375231657.db2.gz ZANIGEVCCKJAKS-RDJZCZTQSA-N 1 2 347.890 3.398 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2coc(C)n2)C1 ZINC001132241077 1375236082 /nfs/dbraw/zinc/23/60/82/1375236082.db2.gz QGSJJBPHWXYWMR-NVXWUHKLSA-N 1 2 331.460 3.036 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2coc(C)n2)C1 ZINC001132241077 1375236086 /nfs/dbraw/zinc/23/60/86/1375236086.db2.gz QGSJJBPHWXYWMR-NVXWUHKLSA-N 1 2 331.460 3.036 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001132255737 1375249481 /nfs/dbraw/zinc/24/94/81/1375249481.db2.gz DVMDWNVKTFTFEV-HOTGVXAUSA-N 1 2 345.487 3.379 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001132255737 1375249487 /nfs/dbraw/zinc/24/94/87/1375249487.db2.gz DVMDWNVKTFTFEV-HOTGVXAUSA-N 1 2 345.487 3.379 20 30 EGEDLO C=CCCC(=O)NC1CC[NH+](Cc2coc(-c3cccs3)n2)CC1 ZINC001226518848 1375273530 /nfs/dbraw/zinc/27/35/30/1375273530.db2.gz NCDKQXWSXBHZBR-UHFFFAOYSA-N 1 2 345.468 3.450 20 30 EGEDLO O=C(/C=C/C1CC1)NC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC001226770026 1375330639 /nfs/dbraw/zinc/33/06/39/1375330639.db2.gz UFBBVCZYDAFLJG-MDZDMXLPSA-N 1 2 342.870 3.238 20 30 EGEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)CCC2CCC2)CC1 ZINC001226787237 1375335069 /nfs/dbraw/zinc/33/50/69/1375335069.db2.gz WEVZDBNVMZVXIJ-UHFFFAOYSA-N 1 2 343.446 3.358 20 30 EGEDLO CC(C)(C)C#CC(=O)NC1CC[NH+](Cc2ncc(C(C)(C)C)o2)CC1 ZINC001227244774 1375411779 /nfs/dbraw/zinc/41/17/79/1375411779.db2.gz SQLMNHATVADLRO-UHFFFAOYSA-N 1 2 345.487 3.102 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC#Cc2ccccc2)CC[C@@H]1C ZINC001132508502 1375432005 /nfs/dbraw/zinc/43/20/05/1375432005.db2.gz LAXWOUUDFWTGCE-WMZOPIPTSA-N 1 2 330.859 3.150 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC#Cc2ccccc2)CC[C@@H]1C ZINC001132508502 1375432007 /nfs/dbraw/zinc/43/20/07/1375432007.db2.gz LAXWOUUDFWTGCE-WMZOPIPTSA-N 1 2 330.859 3.150 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCCCOCC)CC[C@@H]1C ZINC001132529642 1375443377 /nfs/dbraw/zinc/44/33/77/1375443377.db2.gz PJUUHECHNURCTD-HOTGVXAUSA-N 1 2 330.900 3.305 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCCCOCC)CC[C@@H]1C ZINC001132529642 1375443379 /nfs/dbraw/zinc/44/33/79/1375443379.db2.gz PJUUHECHNURCTD-HOTGVXAUSA-N 1 2 330.900 3.305 20 30 EGEDLO CC#CCCCC(=O)NC1CC[NH+](Cc2cc(C(C)(C)C)on2)CC1 ZINC001228716988 1375650872 /nfs/dbraw/zinc/65/08/72/1375650872.db2.gz BNOCEVNRKZWQHO-UHFFFAOYSA-N 1 2 345.487 3.246 20 30 EGEDLO O=C(NC1CC[NH+](CC#Cc2ccccc2Cl)CC1)C1(CF)CC1 ZINC001229164859 1375778168 /nfs/dbraw/zinc/77/81/68/1375778168.db2.gz WGBUGSJEYCPHIT-UHFFFAOYSA-N 1 2 348.849 3.022 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001188886203 1388401306 /nfs/dbraw/zinc/40/13/06/1388401306.db2.gz URMYCPYAKOOZBT-AVGPSUDESA-N 1 2 331.287 3.440 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001188886203 1388401307 /nfs/dbraw/zinc/40/13/07/1388401307.db2.gz URMYCPYAKOOZBT-AVGPSUDESA-N 1 2 331.287 3.440 20 30 EGEDLO C#CCC1(C(=O)NC2CC[NH+](Cc3ncc(C)o3)CC2)CCCCC1 ZINC001230404421 1376021874 /nfs/dbraw/zinc/02/18/74/1376021874.db2.gz IUPAJMXRJDUIKX-UHFFFAOYSA-N 1 2 343.471 3.037 20 30 EGEDLO C=CCC1(C(=O)NC2CC[NH+]([C@H](C)c3ncccn3)CC2)CCCC1 ZINC001230475518 1376036145 /nfs/dbraw/zinc/03/61/45/1376036145.db2.gz MBPPEDFBVADIJG-MRXNPFEDSA-N 1 2 342.487 3.255 20 30 EGEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2ccc(F)cc2F)CC1 ZINC001231619704 1376282080 /nfs/dbraw/zinc/28/20/80/1376282080.db2.gz HRURILBCGRISMD-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C(C)C)o3)C[C@H]21 ZINC001189007219 1388434867 /nfs/dbraw/zinc/43/48/67/1388434867.db2.gz PWDFPEFKQHZJGK-JKSUJKDBSA-N 1 2 331.460 3.187 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C(C)C)o3)C[C@H]21 ZINC001189007219 1388434872 /nfs/dbraw/zinc/43/48/72/1388434872.db2.gz PWDFPEFKQHZJGK-JKSUJKDBSA-N 1 2 331.460 3.187 20 30 EGEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc3ccnc(Cl)c3c2)CC1 ZINC001231979257 1376368891 /nfs/dbraw/zinc/36/88/91/1376368891.db2.gz KPNRWVYVSFGRMZ-UHFFFAOYSA-N 1 2 343.814 3.167 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232673152 1376499525 /nfs/dbraw/zinc/49/95/25/1376499525.db2.gz AVYWTVSKKXYGRY-INIZCTEOSA-N 1 2 345.443 3.143 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232673152 1376499530 /nfs/dbraw/zinc/49/95/30/1376499530.db2.gz AVYWTVSKKXYGRY-INIZCTEOSA-N 1 2 345.443 3.143 20 30 EGEDLO COc1cccnc1O[C@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001232892920 1376535468 /nfs/dbraw/zinc/53/54/68/1376535468.db2.gz BFXJDPVIWFVVMO-KRWDZBQOSA-N 1 2 341.386 3.144 20 30 EGEDLO COc1cccnc1O[C@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001232892920 1376535472 /nfs/dbraw/zinc/53/54/72/1376535472.db2.gz BFXJDPVIWFVVMO-KRWDZBQOSA-N 1 2 341.386 3.144 20 30 EGEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(Oc2ccc(F)cn2)CC1 ZINC001232892860 1376536229 /nfs/dbraw/zinc/53/62/29/1376536229.db2.gz ZSVYPTKGMLREIT-UHFFFAOYSA-N 1 2 329.350 3.275 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1[nH]ccc1C#N)C2 ZINC001233045997 1376560270 /nfs/dbraw/zinc/56/02/70/1376560270.db2.gz JAZMQCJALLMKKV-IBGZPJMESA-N 1 2 344.459 3.109 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1[nH]ccc1C#N)C2 ZINC001233045997 1376560273 /nfs/dbraw/zinc/56/02/73/1376560273.db2.gz JAZMQCJALLMKKV-IBGZPJMESA-N 1 2 344.459 3.109 20 30 EGEDLO COc1cccc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)C#CC(C)C)c1Cl ZINC001234163362 1376781807 /nfs/dbraw/zinc/78/18/07/1376781807.db2.gz YTFOXTBICFPNQU-MRXNPFEDSA-N 1 2 348.874 3.041 20 30 EGEDLO COc1cccc(C[N@H+]2CC[C@@H]2CN(C)C(=O)C#CC(C)C)c1Cl ZINC001234163362 1376781812 /nfs/dbraw/zinc/78/18/12/1376781812.db2.gz YTFOXTBICFPNQU-MRXNPFEDSA-N 1 2 348.874 3.041 20 30 EGEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H]1CCc2c1c(F)ccc2F ZINC001234163091 1376782166 /nfs/dbraw/zinc/78/21/66/1376782166.db2.gz XPAANTZFVICYSQ-KDOFPFPSSA-N 1 2 346.421 3.144 20 30 EGEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@H+]1[C@H]1CCc2c1c(F)ccc2F ZINC001234163091 1376782172 /nfs/dbraw/zinc/78/21/72/1376782172.db2.gz XPAANTZFVICYSQ-KDOFPFPSSA-N 1 2 346.421 3.144 20 30 EGEDLO CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234196313 1376784573 /nfs/dbraw/zinc/78/45/73/1376784573.db2.gz RDSUZRKQYJAOAZ-QFBILLFUSA-N 1 2 346.421 3.362 20 30 EGEDLO CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234196313 1376784602 /nfs/dbraw/zinc/78/46/02/1376784602.db2.gz RDSUZRKQYJAOAZ-QFBILLFUSA-N 1 2 346.421 3.362 20 30 EGEDLO N#C[C@@H]1CCCN(Cc2ccc(-n3cc[nH+]c3)c(Br)c2)C1 ZINC001235034191 1376833061 /nfs/dbraw/zinc/83/30/61/1376833061.db2.gz JFMXIEDPDDVPBV-AWEZNQCLSA-N 1 2 345.244 3.370 20 30 EGEDLO N#C[C@@H]1C[C@H](F)CN1Cc1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC001235040589 1376838128 /nfs/dbraw/zinc/83/81/28/1376838128.db2.gz YUJAMMCUPHITDJ-STQMWFEESA-N 1 2 349.207 3.071 20 30 EGEDLO CCC1(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)CCC1 ZINC001266233459 1377240239 /nfs/dbraw/zinc/24/02/39/1377240239.db2.gz LEQVWTMKUZNYPY-KRWDZBQOSA-N 1 2 343.446 3.358 20 30 EGEDLO CCC1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)CCC1 ZINC001266233459 1377240242 /nfs/dbraw/zinc/24/02/42/1377240242.db2.gz LEQVWTMKUZNYPY-KRWDZBQOSA-N 1 2 343.446 3.358 20 30 EGEDLO COc1cccc(F)c1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001138384852 1377713481 /nfs/dbraw/zinc/71/34/81/1377713481.db2.gz VTBAROLBXXICIC-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO COc1cccc(F)c1C[NH+]1CCN(c2cccc(C#N)c2)CC1 ZINC001138385790 1377713897 /nfs/dbraw/zinc/71/38/97/1377713897.db2.gz DEZUNQHQKQPIOG-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO COc1cc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)ccc1OC(C)C ZINC001138572443 1377745159 /nfs/dbraw/zinc/74/51/59/1377745159.db2.gz SGEXXYAHXNGIOK-KRWDZBQOSA-N 1 2 333.453 3.257 20 30 EGEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1cnn(-c3ccc(F)cc3)c1)CC2 ZINC001138647035 1377762104 /nfs/dbraw/zinc/76/21/04/1377762104.db2.gz MKELDWRGCVUPLG-UHFFFAOYSA-N 1 2 332.382 3.441 20 30 EGEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1cnn(-c3ccc(F)cc3)c1)CC2 ZINC001138647035 1377762106 /nfs/dbraw/zinc/76/21/06/1377762106.db2.gz MKELDWRGCVUPLG-UHFFFAOYSA-N 1 2 332.382 3.441 20 30 EGEDLO C=CCOC(=O)N1CC[NH+](Cc2cccc(OCCCC)c2)CC1 ZINC001138957655 1377809952 /nfs/dbraw/zinc/80/99/52/1377809952.db2.gz IZDLSUSFFRFMSW-UHFFFAOYSA-N 1 2 332.444 3.306 20 30 EGEDLO Cc1nc2c(o1)CC[N@H+](Cc1ccc(-c3cc(C#N)ccn3)cc1)C2 ZINC001139404382 1377878982 /nfs/dbraw/zinc/87/89/82/1377878982.db2.gz DDLNCEGULCPNGN-UHFFFAOYSA-N 1 2 330.391 3.475 20 30 EGEDLO Cc1nc2c(o1)CC[N@@H+](Cc1ccc(-c3cc(C#N)ccn3)cc1)C2 ZINC001139404382 1377878983 /nfs/dbraw/zinc/87/89/83/1377878983.db2.gz DDLNCEGULCPNGN-UHFFFAOYSA-N 1 2 330.391 3.475 20 30 EGEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)OC(C)(C)C ZINC001139646812 1377925316 /nfs/dbraw/zinc/92/53/16/1377925316.db2.gz NSKLQOCJUIJUBZ-CXAGYDPISA-N 1 2 347.434 3.432 20 30 EGEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)OC(C)(C)C ZINC001139646812 1377925319 /nfs/dbraw/zinc/92/53/19/1377925319.db2.gz NSKLQOCJUIJUBZ-CXAGYDPISA-N 1 2 347.434 3.432 20 30 EGEDLO N#Cc1c(Cl)cccc1C[NH+]1CCC(N2CC(F)(F)C2)CC1 ZINC001139691586 1377936334 /nfs/dbraw/zinc/93/63/34/1377936334.db2.gz ACILAQAKPQLBIZ-UHFFFAOYSA-N 1 2 325.790 3.127 20 30 EGEDLO C[N@H+](CC(=O)OCc1ccccc1)Cc1c[nH]c2c1cccc2C#N ZINC001139707645 1377938099 /nfs/dbraw/zinc/93/80/99/1377938099.db2.gz NPJJPFXRFOMBRI-UHFFFAOYSA-N 1 2 333.391 3.215 20 30 EGEDLO C[N@@H+](CC(=O)OCc1ccccc1)Cc1c[nH]c2c1cccc2C#N ZINC001139707645 1377938100 /nfs/dbraw/zinc/93/81/00/1377938100.db2.gz NPJJPFXRFOMBRI-UHFFFAOYSA-N 1 2 333.391 3.215 20 30 EGEDLO CCOc1ccc(N2CC[NH+](Cc3cc(F)cc(C#N)c3)CC2)cc1 ZINC001139878830 1377969975 /nfs/dbraw/zinc/96/99/75/1377969975.db2.gz YBUUQLRBRVRXID-UHFFFAOYSA-N 1 2 339.414 3.418 20 30 EGEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(Br)cnc1F ZINC001140009342 1377990327 /nfs/dbraw/zinc/99/03/27/1377990327.db2.gz VRFKSKQOZNTSIY-UHFFFAOYSA-N 1 2 334.192 3.487 20 30 EGEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(Br)cnc1F ZINC001140009342 1377990328 /nfs/dbraw/zinc/99/03/28/1377990328.db2.gz VRFKSKQOZNTSIY-UHFFFAOYSA-N 1 2 334.192 3.487 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(F)c(F)c3)CC2)c(F)c1 ZINC001140135281 1378016362 /nfs/dbraw/zinc/01/63/62/1378016362.db2.gz ZMKISNQKXOAIDW-UHFFFAOYSA-N 1 2 331.341 3.298 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCn3cnc(Cn4cccc4)c3C2)c(F)c1 ZINC001140138167 1378018730 /nfs/dbraw/zinc/01/87/30/1378018730.db2.gz GUWKMXMMBWAMBW-UHFFFAOYSA-N 1 2 349.413 3.150 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCn3cnc(Cn4cccc4)c3C2)c(F)c1 ZINC001140138167 1378018734 /nfs/dbraw/zinc/01/87/34/1378018734.db2.gz GUWKMXMMBWAMBW-UHFFFAOYSA-N 1 2 349.413 3.150 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)nc1)Cc1cccc(Br)c1F ZINC001140544544 1378083029 /nfs/dbraw/zinc/08/30/29/1378083029.db2.gz SUUQGYSEQZKZAB-UHFFFAOYSA-N 1 2 334.192 3.487 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)nc1)Cc1cccc(Br)c1F ZINC001140544544 1378083031 /nfs/dbraw/zinc/08/30/31/1378083031.db2.gz SUUQGYSEQZKZAB-UHFFFAOYSA-N 1 2 334.192 3.487 20 30 EGEDLO Cn1nc2ccc(Br)cc2c1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001140670270 1378110081 /nfs/dbraw/zinc/11/00/81/1378110081.db2.gz WGIKAUWXOMVQAH-GFCCVEGCSA-N 1 2 347.260 3.461 20 30 EGEDLO Cn1nc2ccc(Br)cc2c1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001140670270 1378110082 /nfs/dbraw/zinc/11/00/82/1378110082.db2.gz WGIKAUWXOMVQAH-GFCCVEGCSA-N 1 2 347.260 3.461 20 30 EGEDLO N#Cc1ccccc1N1CC[NH+](Cc2cc(Cl)ccc2N)CC1 ZINC001140713402 1378121958 /nfs/dbraw/zinc/12/19/58/1378121958.db2.gz YIYNOKSRCKELCI-UHFFFAOYSA-N 1 2 326.831 3.116 20 30 EGEDLO Cc1ccccc1N1CC[NH+](Cc2sc(N)c(C#N)c2Cl)CC1 ZINC001141109811 1378242737 /nfs/dbraw/zinc/24/27/37/1378242737.db2.gz UYZQIOQRTGZCNA-UHFFFAOYSA-N 1 2 346.887 3.486 20 30 EGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001141163357 1378255618 /nfs/dbraw/zinc/25/56/18/1378255618.db2.gz BIRMZVVFHNDONF-VQTJNVASSA-N 1 2 344.430 3.247 20 30 EGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001141163357 1378255624 /nfs/dbraw/zinc/25/56/24/1378255624.db2.gz BIRMZVVFHNDONF-VQTJNVASSA-N 1 2 344.430 3.247 20 30 EGEDLO C=CCOCc1ncn2c1C[N@H+](Cc1sccc1OC)CCC2 ZINC001141321131 1378301753 /nfs/dbraw/zinc/30/17/53/1378301753.db2.gz WLSYVWBNYKIFNP-UHFFFAOYSA-N 1 2 333.457 3.062 20 30 EGEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1sccc1OC)CCC2 ZINC001141321131 1378301760 /nfs/dbraw/zinc/30/17/60/1378301760.db2.gz WLSYVWBNYKIFNP-UHFFFAOYSA-N 1 2 333.457 3.062 20 30 EGEDLO Cn1cc[nH+]c1CCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001141753654 1378371094 /nfs/dbraw/zinc/37/10/94/1378371094.db2.gz QNDMWTRMENPOQP-UHFFFAOYSA-N 1 2 347.378 3.050 20 30 EGEDLO CC1(C)C[N@H+](Cc2ccc(Br)cc2C#N)[C@@](C)(CO)C1 ZINC001141807621 1378381194 /nfs/dbraw/zinc/38/11/94/1378381194.db2.gz TYRKZKBXSUVAOB-MRXNPFEDSA-N 1 2 337.261 3.304 20 30 EGEDLO CC1(C)C[N@@H+](Cc2ccc(Br)cc2C#N)[C@@](C)(CO)C1 ZINC001141807621 1378381197 /nfs/dbraw/zinc/38/11/97/1378381197.db2.gz TYRKZKBXSUVAOB-MRXNPFEDSA-N 1 2 337.261 3.304 20 30 EGEDLO CC(C)C[C@@](C)(C#N)NC(=O)/C=C/c1ccc(Cn2cc[nH+]c2)cc1 ZINC001142373517 1378437230 /nfs/dbraw/zinc/43/72/30/1378437230.db2.gz DWYYVLHYDDMNHY-IBDYFIJFSA-N 1 2 336.439 3.389 20 30 EGEDLO CC(C)(C)OC(=O)NC1(C)C[NH+](Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142922498 1378510037 /nfs/dbraw/zinc/51/00/37/1378510037.db2.gz JXZOMDNERIUABT-UHFFFAOYSA-N 1 2 340.427 3.139 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cccc(F)c1OC)CCO2 ZINC001143532218 1378610165 /nfs/dbraw/zinc/61/01/65/1378610165.db2.gz CLWBQOSRHXYDNI-YLJYHZDGSA-N 1 2 349.446 3.408 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1cccc(F)c1OC)CCO2 ZINC001143532218 1378610169 /nfs/dbraw/zinc/61/01/69/1378610169.db2.gz CLWBQOSRHXYDNI-YLJYHZDGSA-N 1 2 349.446 3.408 20 30 EGEDLO COc1ccc(O[C@@H]2CC[N@H+](Cc3c(Cl)cccc3C#N)C2)nc1 ZINC001143732940 1378640224 /nfs/dbraw/zinc/64/02/24/1378640224.db2.gz YUKGDKWOHVZDQK-OAHLLOKOSA-N 1 2 343.814 3.269 20 30 EGEDLO COc1ccc(O[C@@H]2CC[N@@H+](Cc3c(Cl)cccc3C#N)C2)nc1 ZINC001143732940 1378640226 /nfs/dbraw/zinc/64/02/26/1378640226.db2.gz YUKGDKWOHVZDQK-OAHLLOKOSA-N 1 2 343.814 3.269 20 30 EGEDLO Cc1c(F)cc(F)cc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC001143757833 1378642424 /nfs/dbraw/zinc/64/24/24/1378642424.db2.gz OKKPVYFWXLLBOA-UHFFFAOYSA-N 1 2 327.378 3.467 20 30 EGEDLO COc1ncc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)cc1F ZINC001144450903 1378733623 /nfs/dbraw/zinc/73/36/23/1378733623.db2.gz JCWGLBGQGUNSOV-UHFFFAOYSA-N 1 2 325.387 3.287 20 30 EGEDLO CCCCCCCCC(=O)N1CC2(C1)CC[N@H+](Cc1ncccn1)C2 ZINC001148666538 1379237298 /nfs/dbraw/zinc/23/72/98/1379237298.db2.gz ZFULFILXLJXNIW-UHFFFAOYSA-N 1 2 344.503 3.262 20 30 EGEDLO CCCCCCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1ncccn1)C2 ZINC001148666538 1379237301 /nfs/dbraw/zinc/23/73/01/1379237301.db2.gz ZFULFILXLJXNIW-UHFFFAOYSA-N 1 2 344.503 3.262 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2(C(F)(F)F)CCC2)[C@@H]1C ZINC001284127419 1379503125 /nfs/dbraw/zinc/50/31/25/1379503125.db2.gz AOSSRCOSWXFSEM-RYUDHWBXSA-N 1 2 338.801 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2(C(F)(F)F)CCC2)[C@@H]1C ZINC001284127419 1379503131 /nfs/dbraw/zinc/50/31/31/1379503131.db2.gz AOSSRCOSWXFSEM-RYUDHWBXSA-N 1 2 338.801 3.441 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCc2scnc2C)[C@@H]1C ZINC001284152592 1379548327 /nfs/dbraw/zinc/54/83/27/1379548327.db2.gz IPKMVZQYLKCQHI-UONOGXRCSA-N 1 2 341.908 3.106 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCc2scnc2C)[C@@H]1C ZINC001284152592 1379548329 /nfs/dbraw/zinc/54/83/29/1379548329.db2.gz IPKMVZQYLKCQHI-UONOGXRCSA-N 1 2 341.908 3.106 20 30 EGEDLO N#Cc1cc(F)cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC001151647890 1379754486 /nfs/dbraw/zinc/75/44/86/1379754486.db2.gz FCMBTNWNZUXIFP-SFHVURJKSA-N 1 2 341.361 3.440 20 30 EGEDLO N#Cc1cc(F)cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC001151647890 1379754489 /nfs/dbraw/zinc/75/44/89/1379754489.db2.gz FCMBTNWNZUXIFP-SFHVURJKSA-N 1 2 341.361 3.440 20 30 EGEDLO C=CC[C@@H](C(=O)NCC[NH2+][C@@H](C)c1ncc(C)o1)c1ccccc1 ZINC001151838577 1379795298 /nfs/dbraw/zinc/79/52/98/1379795298.db2.gz VUWQBZPOBOCECZ-DOTOQJQBSA-N 1 2 327.428 3.110 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001151972209 1379827799 /nfs/dbraw/zinc/82/77/99/1379827799.db2.gz VEEWWQRCLWFIJA-QGZVFWFLSA-N 1 2 346.390 3.118 20 30 EGEDLO C=CCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1nc(-c2ccsc2)no1 ZINC001152313506 1379905947 /nfs/dbraw/zinc/90/59/47/1379905947.db2.gz OXGHONBJPSBZKC-CYBMUJFWSA-N 1 2 348.472 3.091 20 30 EGEDLO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc(-c2ccsc2)no1 ZINC001152313506 1379905949 /nfs/dbraw/zinc/90/59/49/1379905949.db2.gz OXGHONBJPSBZKC-CYBMUJFWSA-N 1 2 348.472 3.091 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)c2ccc3ccc(C(F)(F)F)cc3n2)CC1 ZINC001153776507 1380127134 /nfs/dbraw/zinc/12/71/34/1380127134.db2.gz DRMXTCMFLQAVSQ-UHFFFAOYSA-N 1 2 349.356 3.197 20 30 EGEDLO C=C/C(C)=C/CC(=O)NC[C@@H](C)[N@H+](CC)CC(=C)Br ZINC001154700232 1380334445 /nfs/dbraw/zinc/33/44/45/1380334445.db2.gz UJZFKUATUYOUDM-CEFACKQISA-N 1 2 329.282 3.244 20 30 EGEDLO C=C/C(C)=C/CC(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)Br ZINC001154700232 1380334446 /nfs/dbraw/zinc/33/44/46/1380334446.db2.gz UJZFKUATUYOUDM-CEFACKQISA-N 1 2 329.282 3.244 20 30 EGEDLO N#Cc1ccc2cc[nH+]c(NCc3cc(Br)no3)c2c1 ZINC001156686280 1380610876 /nfs/dbraw/zinc/61/08/76/1380610876.db2.gz FBKOTKBUHNPYCQ-UHFFFAOYSA-N 1 2 329.157 3.469 20 30 EGEDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)c1ncnc2ccc(C#N)cc21 ZINC001156775061 1380633132 /nfs/dbraw/zinc/63/31/32/1380633132.db2.gz AIYUWZMQVLNOSG-UHFFFAOYSA-N 1 2 340.390 3.324 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nccc(C)n1 ZINC001157999692 1381097655 /nfs/dbraw/zinc/09/76/55/1381097655.db2.gz RLCXGNRXPDKTGW-QGZVFWFLSA-N 1 2 344.503 3.200 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nccc(C)n1 ZINC001157999692 1381097659 /nfs/dbraw/zinc/09/76/59/1381097659.db2.gz RLCXGNRXPDKTGW-QGZVFWFLSA-N 1 2 344.503 3.200 20 30 EGEDLO CC#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cscn1 ZINC001158357406 1381215233 /nfs/dbraw/zinc/21/52/33/1381215233.db2.gz GDPKRVWJIPEZLA-QGZVFWFLSA-N 1 2 333.501 3.150 20 30 EGEDLO CC#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cscn1 ZINC001158357406 1381215236 /nfs/dbraw/zinc/21/52/36/1381215236.db2.gz GDPKRVWJIPEZLA-QGZVFWFLSA-N 1 2 333.501 3.150 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cc(C)on1 ZINC001158369225 1381220689 /nfs/dbraw/zinc/22/06/89/1381220689.db2.gz DVKBWAYRNRNGHY-SJLPKXTDSA-N 1 2 333.476 3.398 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cc(C)on1 ZINC001158369225 1381220701 /nfs/dbraw/zinc/22/07/01/1381220701.db2.gz DVKBWAYRNRNGHY-SJLPKXTDSA-N 1 2 333.476 3.398 20 30 EGEDLO CCOC(=O)c1c[nH]c2cc(NC3=CC(=O)CC(C)(C)C3)[nH+]cc21 ZINC001158953880 1381482771 /nfs/dbraw/zinc/48/27/71/1381482771.db2.gz VDCPTWWCCXEBDP-UHFFFAOYSA-N 1 2 327.384 3.425 20 30 EGEDLO CC(C)(S)CNc1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001159266661 1381748172 /nfs/dbraw/zinc/74/81/72/1381748172.db2.gz NHNPQMXWHIIJJK-UHFFFAOYSA-N 1 2 328.485 3.155 20 30 EGEDLO CC(C)(S)CNc1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001159266661 1381748177 /nfs/dbraw/zinc/74/81/77/1381748177.db2.gz NHNPQMXWHIIJJK-UHFFFAOYSA-N 1 2 328.485 3.155 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)[C@@H](C)C2CC2)CC1 ZINC001159717889 1381878902 /nfs/dbraw/zinc/87/89/02/1381878902.db2.gz WIFWJYRMHCSFNY-ZDUSSCGKSA-N 1 2 341.293 3.080 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C)C2CC2)CC1 ZINC001159717889 1381878906 /nfs/dbraw/zinc/87/89/06/1381878906.db2.gz WIFWJYRMHCSFNY-ZDUSSCGKSA-N 1 2 341.293 3.080 20 30 EGEDLO C=C(C)CCC(=O)NCCC1=CC[N@H+]([C@H](C)c2nnc(CC)o2)CC1 ZINC001160264591 1382054731 /nfs/dbraw/zinc/05/47/31/1382054731.db2.gz SOCIUERFEMBZAY-OAHLLOKOSA-N 1 2 346.475 3.188 20 30 EGEDLO C=C(C)CCC(=O)NCCC1=CC[N@@H+]([C@H](C)c2nnc(CC)o2)CC1 ZINC001160264591 1382054736 /nfs/dbraw/zinc/05/47/36/1382054736.db2.gz SOCIUERFEMBZAY-OAHLLOKOSA-N 1 2 346.475 3.188 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@H+](Cc2nc(C)c(C)o2)CC1 ZINC001160882810 1382223792 /nfs/dbraw/zinc/22/37/92/1382223792.db2.gz UJSDZIJFSOSQDW-UHFFFAOYSA-N 1 2 331.460 3.142 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2nc(C)c(C)o2)CC1 ZINC001160882810 1382223796 /nfs/dbraw/zinc/22/37/96/1382223796.db2.gz UJSDZIJFSOSQDW-UHFFFAOYSA-N 1 2 331.460 3.142 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@H+](Cc2csc(C)n2)CC1 ZINC001160915063 1382231781 /nfs/dbraw/zinc/23/17/81/1382231781.db2.gz IXWAKJNBNMKXOX-UHFFFAOYSA-N 1 2 333.501 3.302 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2csc(C)n2)CC1 ZINC001160915063 1382231787 /nfs/dbraw/zinc/23/17/87/1382231787.db2.gz IXWAKJNBNMKXOX-UHFFFAOYSA-N 1 2 333.501 3.302 20 30 EGEDLO C#CCCCCCC(=O)NCCC1=CC[N@H+](Cc2cc(C)on2)CC1 ZINC001160914933 1382232226 /nfs/dbraw/zinc/23/22/26/1382232226.db2.gz CRYNYWZOQXVJNM-UHFFFAOYSA-N 1 2 343.471 3.205 20 30 EGEDLO C#CCCCCCC(=O)NCCC1=CC[N@@H+](Cc2cc(C)on2)CC1 ZINC001160914933 1382232229 /nfs/dbraw/zinc/23/22/29/1382232229.db2.gz CRYNYWZOQXVJNM-UHFFFAOYSA-N 1 2 343.471 3.205 20 30 EGEDLO C#CCCCCCC(=O)NCCC1=CC[N@H+](Cc2nccs2)CC1 ZINC001160915147 1382232897 /nfs/dbraw/zinc/23/28/97/1382232897.db2.gz LPUAUDGTDQOWAS-UHFFFAOYSA-N 1 2 345.512 3.365 20 30 EGEDLO C#CCCCCCC(=O)NCCC1=CC[N@@H+](Cc2nccs2)CC1 ZINC001160915147 1382232898 /nfs/dbraw/zinc/23/28/98/1382232898.db2.gz LPUAUDGTDQOWAS-UHFFFAOYSA-N 1 2 345.512 3.365 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@H+](Cc2cscn2)CC1 ZINC001160967269 1382254713 /nfs/dbraw/zinc/25/47/13/1382254713.db2.gz DIXKFJYNBDLVKI-HNNXBMFYSA-N 1 2 333.501 3.384 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@@H+](Cc2cscn2)CC1 ZINC001160967269 1382254717 /nfs/dbraw/zinc/25/47/17/1382254717.db2.gz DIXKFJYNBDLVKI-HNNXBMFYSA-N 1 2 333.501 3.384 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@H+](Cc2ncc(C)cn2)CC1 ZINC001161116703 1382305246 /nfs/dbraw/zinc/30/52/46/1382305246.db2.gz PBYRXJOWDPXPHR-FQEVSTJZSA-N 1 2 342.487 3.026 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@@H+](Cc2ncc(C)cn2)CC1 ZINC001161116703 1382305248 /nfs/dbraw/zinc/30/52/48/1382305248.db2.gz PBYRXJOWDPXPHR-FQEVSTJZSA-N 1 2 342.487 3.026 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nc(C)no2)CC1 ZINC001161121431 1382307935 /nfs/dbraw/zinc/30/79/35/1382307935.db2.gz HSMGRMBKOKNGGF-LIRRHRJNSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@H+]([C@@H](C)c2nc(C)no2)CC1 ZINC001161121431 1382307937 /nfs/dbraw/zinc/30/79/37/1382307937.db2.gz HSMGRMBKOKNGGF-LIRRHRJNSA-N 1 2 346.475 3.180 20 30 EGEDLO COc1ccc(Cn2c[nH+]cc2CNc2nccc(C)c2C#N)cc1 ZINC001161504957 1382425349 /nfs/dbraw/zinc/42/53/49/1382425349.db2.gz JNIDRDVJVQFXAK-UHFFFAOYSA-N 1 2 333.395 3.127 20 30 EGEDLO COC(C)(C)CNc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(C)[nH+]1 ZINC001165830399 1383351390 /nfs/dbraw/zinc/35/13/90/1383351390.db2.gz SJMZZEKYSNJSID-RJSQPESZSA-N 1 2 325.478 3.108 20 30 EGEDLO Cc1cccc(CCCNc2nc(Br)ccc2C#N)[nH+]1 ZINC001336638410 1389127914 /nfs/dbraw/zinc/12/79/14/1389127914.db2.gz SHUWGJAEEHOOEB-UHFFFAOYSA-N 1 2 331.217 3.464 20 30 EGEDLO C=CCC1(C(=O)NCCC2(C[NH2+][C@H](C)c3noc(C)n3)CC2)CCC1 ZINC001167036135 1383525362 /nfs/dbraw/zinc/52/53/62/1383525362.db2.gz WVOFOWUTBFMOBG-CQSZACIVSA-N 1 2 346.475 3.062 20 30 EGEDLO COc1ccc(CN2CCc3c2nc[nH+]c3NCCCCC#N)cc1 ZINC001168428240 1383904139 /nfs/dbraw/zinc/90/41/39/1383904139.db2.gz ZSPTUZXCGRVXGL-UHFFFAOYSA-N 1 2 337.427 3.154 20 30 EGEDLO C=CC[C@@](C)([NH2+][C@H]1CCO[C@@H](c2ccc(OC)cc2)C1)C(=O)OC ZINC001168631698 1383952636 /nfs/dbraw/zinc/95/26/36/1383952636.db2.gz VVLXAWCTOQBKGV-KVSKMBFKSA-N 1 2 333.428 3.013 20 30 EGEDLO C=C[C@@H]1C[C@]1([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(=O)OCC ZINC001170364639 1384301377 /nfs/dbraw/zinc/30/13/77/1384301377.db2.gz BMVOBYQAUOLUDE-XPVQEHEOSA-N 1 2 338.451 3.488 20 30 EGEDLO C[C@@]1(CO)CC(F)(F)C[N@@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170378644 1384303712 /nfs/dbraw/zinc/30/37/12/1384303712.db2.gz HIKOKWDWQAKGIR-ADKAHSJRSA-N 1 2 334.410 3.483 20 30 EGEDLO C[C@@]1(CO)CC(F)(F)C[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170378644 1384303717 /nfs/dbraw/zinc/30/37/17/1384303717.db2.gz HIKOKWDWQAKGIR-ADKAHSJRSA-N 1 2 334.410 3.483 20 30 EGEDLO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(C)c2ccc(C)cc2n1 ZINC001171067493 1384440602 /nfs/dbraw/zinc/44/06/02/1384440602.db2.gz HJRDZIREURZIPW-KRWDZBQOSA-N 1 2 341.455 3.490 20 30 EGEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCc2c(C)cccc2C1 ZINC001171563082 1384563868 /nfs/dbraw/zinc/56/38/68/1384563868.db2.gz DHZGRTFMZJWKQK-PZJWPPBQSA-N 1 2 348.446 3.098 20 30 EGEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171776729 1384632231 /nfs/dbraw/zinc/63/22/31/1384632231.db2.gz ASKHWOBJBQJOCW-PXNSSMCTSA-N 1 2 339.410 3.223 20 30 EGEDLO N#CC1([NH2+][C@H]2CCCN(C(=O)c3ccccc3)CC2)CCCCC1 ZINC001171869198 1384666059 /nfs/dbraw/zinc/66/60/59/1384666059.db2.gz AGAMOPBJLLXQKI-SFHVURJKSA-N 1 2 325.456 3.497 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)COc2ccc(C)c(C)c2)C1 ZINC001316950646 1384724301 /nfs/dbraw/zinc/72/43/01/1384724301.db2.gz CHLVMPWSYSTOHH-MRXNPFEDSA-N 1 2 336.863 3.015 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)COc2ccc(C)c(C)c2)C1 ZINC001316950646 1384724311 /nfs/dbraw/zinc/72/43/11/1384724311.db2.gz CHLVMPWSYSTOHH-MRXNPFEDSA-N 1 2 336.863 3.015 20 30 EGEDLO CCCCCCC[C@@H](CCC)[N@@H+]1CCN(C(C)=O)C[C@@H]1C(=O)OC ZINC001172510435 1384807371 /nfs/dbraw/zinc/80/73/71/1384807371.db2.gz BYVQBAJFVJHBIU-QZTJIDSGSA-N 1 2 340.508 3.221 20 30 EGEDLO CCCCCCC[C@@H](CCC)[N@H+]1CCN(C(C)=O)C[C@@H]1C(=O)OC ZINC001172510435 1384807374 /nfs/dbraw/zinc/80/73/74/1384807374.db2.gz BYVQBAJFVJHBIU-QZTJIDSGSA-N 1 2 340.508 3.221 20 30 EGEDLO C[C@@H]1CC[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1(F)F ZINC001173430148 1384969296 /nfs/dbraw/zinc/96/92/96/1384969296.db2.gz MUBDGXAZXWLLTN-CQSZACIVSA-N 1 2 347.409 3.140 20 30 EGEDLO C[C@@H]1CC[N@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1(F)F ZINC001173430148 1384969300 /nfs/dbraw/zinc/96/93/00/1384969300.db2.gz MUBDGXAZXWLLTN-CQSZACIVSA-N 1 2 347.409 3.140 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCCc1cc(C)sc1C ZINC001317471933 1385167111 /nfs/dbraw/zinc/16/71/11/1385167111.db2.gz ROUZQIBJLVIXCQ-UHFFFAOYSA-N 1 2 328.909 3.488 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCCc1cc(C)sc1C ZINC001317471933 1385167113 /nfs/dbraw/zinc/16/71/13/1385167113.db2.gz ROUZQIBJLVIXCQ-UHFFFAOYSA-N 1 2 328.909 3.488 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cccc(OC)c2)C1 ZINC001317769474 1385459258 /nfs/dbraw/zinc/45/92/58/1385459258.db2.gz DOMVZYGJVLSVLS-MRXNPFEDSA-N 1 2 336.863 3.374 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cccc(OC)c2)C1 ZINC001317769474 1385459259 /nfs/dbraw/zinc/45/92/59/1385459259.db2.gz DOMVZYGJVLSVLS-MRXNPFEDSA-N 1 2 336.863 3.374 20 30 EGEDLO COC(=O)c1sc(Nc2ccc[nH+]c2N2CCCC2)c(C#N)c1C ZINC001176744280 1385679711 /nfs/dbraw/zinc/67/97/11/1385679711.db2.gz RZSXNRNHNSQXAX-UHFFFAOYSA-N 1 2 342.424 3.454 20 30 EGEDLO N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)Cc1c[nH]c[nH+]1 ZINC001176826545 1385715091 /nfs/dbraw/zinc/71/50/91/1385715091.db2.gz TWQJLLQGBOQZDA-UHFFFAOYSA-N 1 2 326.356 3.330 20 30 EGEDLO C#CCOCC[N@@H+](C)Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC001319657472 1386236825 /nfs/dbraw/zinc/23/68/25/1386236825.db2.gz VLYUPRCUTIYLMW-UHFFFAOYSA-N 1 2 334.872 3.469 20 30 EGEDLO C#CCOCC[N@H+](C)Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC001319657472 1386236827 /nfs/dbraw/zinc/23/68/27/1386236827.db2.gz VLYUPRCUTIYLMW-UHFFFAOYSA-N 1 2 334.872 3.469 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)CCc1ccccc1 ZINC001320072824 1386492836 /nfs/dbraw/zinc/49/28/36/1386492836.db2.gz MRJADHXGESQAKW-UHFFFAOYSA-N 1 2 335.451 3.081 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)CCc1ccccc1 ZINC001320072824 1386492839 /nfs/dbraw/zinc/49/28/39/1386492839.db2.gz MRJADHXGESQAKW-UHFFFAOYSA-N 1 2 335.451 3.081 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)Cc2ccccc2Oc2ccccc2)CC1 ZINC001179873948 1386614459 /nfs/dbraw/zinc/61/44/59/1386614459.db2.gz AHHYATWBFHVYEK-UHFFFAOYSA-N 1 2 336.435 3.352 20 30 EGEDLO C=CCN1CCN(C(=O)[C@H](c2ccccc2Cl)[NH+](CC)CC)CC1 ZINC001182225784 1387125010 /nfs/dbraw/zinc/12/50/10/1387125010.db2.gz PLMDCLJJKGPNGK-SFHVURJKSA-N 1 2 349.906 3.053 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CCc2ccc3[nH]ccc3c2)C1 ZINC001330014180 1389285787 /nfs/dbraw/zinc/28/57/87/1389285787.db2.gz VOKFFFFMOPKOMP-CQSZACIVSA-N 1 2 345.874 3.290 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2cc(F)c(C)cc2F)C1 ZINC001330031241 1389288642 /nfs/dbraw/zinc/28/86/42/1389288642.db2.gz KCTHNOWWIFLERJ-LBPRGKRZSA-N 1 2 342.817 3.005 20 30 EGEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N(C)CCc1cccs1 ZINC001338796123 1389767487 /nfs/dbraw/zinc/76/74/87/1389767487.db2.gz ZDRSXJNKPFVTCT-UHFFFAOYSA-N 1 2 345.516 3.190 20 30 EGEDLO C=CC[C@H]1CCCN(c2nnc([C@H]3CCCC[N@H+]3C)n2CC=C)C1 ZINC001340390404 1390281741 /nfs/dbraw/zinc/28/17/41/1390281741.db2.gz OEXYWRCEQIQCHG-DLBZAZTESA-N 1 2 329.492 3.413 20 30 EGEDLO C=CC[C@H]1CCCN(c2nnc([C@H]3CCCC[N@@H+]3C)n2CC=C)C1 ZINC001340390404 1390281742 /nfs/dbraw/zinc/28/17/42/1390281742.db2.gz OEXYWRCEQIQCHG-DLBZAZTESA-N 1 2 329.492 3.413 20 30 EGEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1Cc2ccccc2[C@@H]1CC ZINC001340593995 1390323648 /nfs/dbraw/zinc/32/36/48/1390323648.db2.gz OMIKMWFMCRXBAS-KRWDZBQOSA-N 1 2 348.454 3.260 20 30 EGEDLO CN(CCC#N)c1ccc(C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001341568678 1390503498 /nfs/dbraw/zinc/50/34/98/1390503498.db2.gz ATMBCGMJGRROEW-UHFFFAOYSA-N 1 2 336.395 3.460 20 30 EGEDLO CN(CCC#N)c1ccc(C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001341568678 1390503499 /nfs/dbraw/zinc/50/34/99/1390503499.db2.gz ATMBCGMJGRROEW-UHFFFAOYSA-N 1 2 336.395 3.460 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC(F)(F)CC1 ZINC001342226500 1390587763 /nfs/dbraw/zinc/58/77/63/1390587763.db2.gz YNTYNGDIXRZIOX-AWEZNQCLSA-N 1 2 339.434 3.247 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC(F)(F)CC1 ZINC001342226500 1390587766 /nfs/dbraw/zinc/58/77/66/1390587766.db2.gz YNTYNGDIXRZIOX-AWEZNQCLSA-N 1 2 339.434 3.247 20 30 EGEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)C[C@@H](C)CC ZINC001343007739 1390683359 /nfs/dbraw/zinc/68/33/59/1390683359.db2.gz SBSVYCYLOCDGHG-DLBZAZTESA-N 1 2 349.523 3.118 20 30 EGEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)C[C@@H](C)CC ZINC001343007739 1390683361 /nfs/dbraw/zinc/68/33/61/1390683361.db2.gz SBSVYCYLOCDGHG-DLBZAZTESA-N 1 2 349.523 3.118 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCCC(F)(F)C1 ZINC001343929125 1390744699 /nfs/dbraw/zinc/74/46/99/1390744699.db2.gz VLUUFNPBZMJHLN-CQSZACIVSA-N 1 2 339.434 3.247 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCCC(F)(F)C1 ZINC001343929125 1390744701 /nfs/dbraw/zinc/74/47/01/1390744701.db2.gz VLUUFNPBZMJHLN-CQSZACIVSA-N 1 2 339.434 3.247 20 30 EGEDLO C=C(C)CN(CC)c1nnc([C@@H]2CCC[N@@H+]2C)n1C[C@H]1CCCCO1 ZINC001347054534 1390996902 /nfs/dbraw/zinc/99/69/02/1390996902.db2.gz JMZSGSIFZINYBE-SJORKVTESA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)CN(CC)c1nnc([C@@H]2CCC[N@H+]2C)n1C[C@H]1CCCCO1 ZINC001347054534 1390996904 /nfs/dbraw/zinc/99/69/04/1390996904.db2.gz JMZSGSIFZINYBE-SJORKVTESA-N 1 2 347.507 3.016 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1cccs1 ZINC001351615169 1391657673 /nfs/dbraw/zinc/65/76/73/1391657673.db2.gz GOCAQCZDWGDKEZ-HNNXBMFYSA-N 1 2 331.489 3.319 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)Cc1cccs1 ZINC001351615169 1391657676 /nfs/dbraw/zinc/65/76/76/1391657676.db2.gz GOCAQCZDWGDKEZ-HNNXBMFYSA-N 1 2 331.489 3.319 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(Cc3ccccc3)CCC2)C1 ZINC001479954888 1392492186 /nfs/dbraw/zinc/49/21/86/1392492186.db2.gz GMODUTFJGSHWGD-QGZVFWFLSA-N 1 2 332.875 3.342 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(Cc3ccccc3)CCC2)C1 ZINC001479954888 1392492189 /nfs/dbraw/zinc/49/21/89/1392492189.db2.gz GMODUTFJGSHWGD-QGZVFWFLSA-N 1 2 332.875 3.342 20 30 EGEDLO C[N@H+](CCNC(=O)c1ccsc1Cl)Cc1ccccc1C#N ZINC001480921311 1393020814 /nfs/dbraw/zinc/02/08/14/1393020814.db2.gz LFLHDUTZDMDBGH-UHFFFAOYSA-N 1 2 333.844 3.135 20 30 EGEDLO C[N@@H+](CCNC(=O)c1ccsc1Cl)Cc1ccccc1C#N ZINC001480921311 1393020820 /nfs/dbraw/zinc/02/08/20/1393020820.db2.gz LFLHDUTZDMDBGH-UHFFFAOYSA-N 1 2 333.844 3.135 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2(Cc3ccccc3)CC2)C1 ZINC001481534983 1394393989 /nfs/dbraw/zinc/39/39/89/1394393989.db2.gz VXGXFKSRKGKIQL-KRWDZBQOSA-N 1 2 332.875 3.342 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2(Cc3ccccc3)CC2)C1 ZINC001481534983 1394393992 /nfs/dbraw/zinc/39/39/92/1394393992.db2.gz VXGXFKSRKGKIQL-KRWDZBQOSA-N 1 2 332.875 3.342 20 30 EGEDLO CCC(C)(C)CC(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001481627292 1394424804 /nfs/dbraw/zinc/42/48/04/1394424804.db2.gz MEDLRQXLCGGITQ-UHFFFAOYSA-N 1 2 331.435 3.072 20 30 EGEDLO CCCC(CCC)C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001481641443 1394428347 /nfs/dbraw/zinc/42/83/47/1394428347.db2.gz PWNHANHYBPVLJV-UHFFFAOYSA-N 1 2 345.462 3.462 20 30 EGEDLO CCC[C@@H](C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1)C(C)C ZINC001481647153 1394430749 /nfs/dbraw/zinc/43/07/49/1394430749.db2.gz BJJVOFYDWIICAP-LJQANCHMSA-N 1 2 327.472 3.179 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)Cc2ccc(Cl)s2)C1 ZINC001484060970 1395224370 /nfs/dbraw/zinc/22/43/70/1395224370.db2.gz NMEQJYJDVNPHRA-CQSZACIVSA-N 1 2 333.284 3.277 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)Cc2ccc(Cl)s2)C1 ZINC001484060970 1395224375 /nfs/dbraw/zinc/22/43/75/1395224375.db2.gz NMEQJYJDVNPHRA-CQSZACIVSA-N 1 2 333.284 3.277 20 30 EGEDLO Cc1ccsc1C(=O)N(C)CC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001698981138 1406757576 /nfs/dbraw/zinc/75/75/76/1406757576.db2.gz ICVCCIHPGXOBNU-UHFFFAOYSA-N 1 2 345.443 3.271 20 30 EGEDLO Cc1ccsc1C(=O)N(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001698981138 1406757581 /nfs/dbraw/zinc/75/75/81/1406757581.db2.gz ICVCCIHPGXOBNU-UHFFFAOYSA-N 1 2 345.443 3.271 20 30 EGEDLO C[N@H+](CCNC(=O)Cc1cccc(C2CC2)c1)Cc1ccccc1C#N ZINC001492352963 1396320529 /nfs/dbraw/zinc/32/05/29/1396320529.db2.gz VTTRRXPYYALDHY-UHFFFAOYSA-N 1 2 347.462 3.226 20 30 EGEDLO C[N@@H+](CCNC(=O)Cc1cccc(C2CC2)c1)Cc1ccccc1C#N ZINC001492352963 1396320530 /nfs/dbraw/zinc/32/05/30/1396320530.db2.gz VTTRRXPYYALDHY-UHFFFAOYSA-N 1 2 347.462 3.226 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1coc2cc(F)ccc12 ZINC001498278818 1396957303 /nfs/dbraw/zinc/95/73/03/1396957303.db2.gz BPVGRZMPBXQUKR-GFCCVEGCSA-N 1 2 338.810 3.303 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1coc2cc(F)ccc12 ZINC001498278818 1396957308 /nfs/dbraw/zinc/95/73/08/1396957308.db2.gz BPVGRZMPBXQUKR-GFCCVEGCSA-N 1 2 338.810 3.303 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)COc1ccc(C(C)C)cc1 ZINC001498329644 1396966225 /nfs/dbraw/zinc/96/62/25/1396966225.db2.gz DPTULSLJZHITEV-OAHLLOKOSA-N 1 2 338.879 3.378 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)COc1ccc(C(C)C)cc1 ZINC001498329644 1396966226 /nfs/dbraw/zinc/96/62/26/1396966226.db2.gz DPTULSLJZHITEV-OAHLLOKOSA-N 1 2 338.879 3.378 20 30 EGEDLO CC1(C)CC(C(=O)NCC[N@H+](Cc2ccc(C#N)cc2F)C2CC2)C1 ZINC001731874408 1428135869 /nfs/dbraw/zinc/13/58/69/1428135869.db2.gz AELFOVBONXNMKD-UHFFFAOYSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC(C(=O)NCC[N@@H+](Cc2ccc(C#N)cc2F)C2CC2)C1 ZINC001731874408 1428135873 /nfs/dbraw/zinc/13/58/73/1428135873.db2.gz AELFOVBONXNMKD-UHFFFAOYSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)Cc2coc3ccc(C)cc23)C1 ZINC001732126368 1428375080 /nfs/dbraw/zinc/37/50/80/1428375080.db2.gz AAEOUSJHNNFDLC-UHFFFAOYSA-N 1 2 332.831 3.084 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C1(Cc2ccccc2F)CC1 ZINC001700495113 1414143135 /nfs/dbraw/zinc/14/31/35/1414143135.db2.gz QVSRCKDGJRMKEV-CQSZACIVSA-N 1 2 338.854 3.337 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C1(Cc2ccccc2F)CC1 ZINC001700495113 1414143137 /nfs/dbraw/zinc/14/31/37/1414143137.db2.gz QVSRCKDGJRMKEV-CQSZACIVSA-N 1 2 338.854 3.337 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CCn2ccc3ccccc32)C1 ZINC001700548848 1414218099 /nfs/dbraw/zinc/21/80/99/1414218099.db2.gz CPSNXJBYXJGBNP-HNNXBMFYSA-N 1 2 345.874 3.220 20 30 EGEDLO CCCC1(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)CC1 ZINC001707051455 1417164552 /nfs/dbraw/zinc/16/45/52/1417164552.db2.gz NUXAKILFIZQTPD-CQSZACIVSA-N 1 2 331.485 3.233 20 30 EGEDLO CCCC1(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)CC1 ZINC001707051455 1417164555 /nfs/dbraw/zinc/16/45/55/1417164555.db2.gz NUXAKILFIZQTPD-CQSZACIVSA-N 1 2 331.485 3.233 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)C1(C(F)(F)F)CCC1 ZINC001713253023 1417846838 /nfs/dbraw/zinc/84/68/38/1417846838.db2.gz LACRKISFBYJBIL-GFCCVEGCSA-N 1 2 338.801 3.442 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1(C(F)(F)F)CCC1 ZINC001713253023 1417846839 /nfs/dbraw/zinc/84/68/39/1417846839.db2.gz LACRKISFBYJBIL-GFCCVEGCSA-N 1 2 338.801 3.442 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1scnc1C1CCCC1 ZINC001713458366 1418112145 /nfs/dbraw/zinc/11/21/45/1418112145.db2.gz JLSTWDRFKISPHG-UHFFFAOYSA-N 1 2 327.881 3.215 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1scnc1C1CCCC1 ZINC001713458366 1418112147 /nfs/dbraw/zinc/11/21/47/1418112147.db2.gz JLSTWDRFKISPHG-UHFFFAOYSA-N 1 2 327.881 3.215 20 30 EGEDLO CCc1ccccc1C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001713464482 1418123735 /nfs/dbraw/zinc/12/37/35/1418123735.db2.gz KBKZGFPXWCULBG-UHFFFAOYSA-N 1 2 339.414 3.122 20 30 EGEDLO CCc1ccccc1C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001713464482 1418123737 /nfs/dbraw/zinc/12/37/37/1418123737.db2.gz KBKZGFPXWCULBG-UHFFFAOYSA-N 1 2 339.414 3.122 20 30 EGEDLO C[C@H](C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F)c1ccsc1 ZINC001713466451 1418129610 /nfs/dbraw/zinc/12/96/10/1418129610.db2.gz CNQNPGQGAWBEEE-ZDUSSCGKSA-N 1 2 345.443 3.111 20 30 EGEDLO C[C@H](C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F)c1ccsc1 ZINC001713466451 1418129617 /nfs/dbraw/zinc/12/96/17/1418129617.db2.gz CNQNPGQGAWBEEE-ZDUSSCGKSA-N 1 2 345.443 3.111 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)Cc1cc2ccccc2o1)C1CC1 ZINC001713559361 1418355671 /nfs/dbraw/zinc/35/56/71/1418355671.db2.gz PYSIKTIPBQNKHT-UHFFFAOYSA-N 1 2 332.831 3.308 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cc1cc2ccccc2o1)C1CC1 ZINC001713559361 1418355675 /nfs/dbraw/zinc/35/56/75/1418355675.db2.gz PYSIKTIPBQNKHT-UHFFFAOYSA-N 1 2 332.831 3.308 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1CCc2ccccc2C1)C1CC1 ZINC001713562560 1418365006 /nfs/dbraw/zinc/36/50/06/1418365006.db2.gz DMDJFAIHLYACTL-QGZVFWFLSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1CCc2ccccc2C1)C1CC1 ZINC001713562560 1418365008 /nfs/dbraw/zinc/36/50/08/1418365008.db2.gz DMDJFAIHLYACTL-QGZVFWFLSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@]1(c2ccccc2)CCCO1)C1CC1 ZINC001713564859 1418373765 /nfs/dbraw/zinc/37/37/65/1418373765.db2.gz NYRMJUQSRJTSSG-IBGZPJMESA-N 1 2 348.874 3.025 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@]1(c2ccccc2)CCCO1)C1CC1 ZINC001713564859 1418373769 /nfs/dbraw/zinc/37/37/69/1418373769.db2.gz NYRMJUQSRJTSSG-IBGZPJMESA-N 1 2 348.874 3.025 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)COc2cc(C)cc(C)c2)C1 ZINC001713793589 1418613063 /nfs/dbraw/zinc/61/30/63/1418613063.db2.gz PQHQIZSWULMOML-MRXNPFEDSA-N 1 2 336.863 3.015 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)COc2cc(C)cc(C)c2)C1 ZINC001713793589 1418613068 /nfs/dbraw/zinc/61/30/68/1418613068.db2.gz PQHQIZSWULMOML-MRXNPFEDSA-N 1 2 336.863 3.015 20 30 EGEDLO CCC(CC)(CC)C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001714570149 1419301099 /nfs/dbraw/zinc/30/10/99/1419301099.db2.gz YLTPGFMKYOWJGX-UHFFFAOYSA-N 1 2 333.451 3.462 20 30 EGEDLO CCC(CC)(CC)C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001714570149 1419301101 /nfs/dbraw/zinc/30/11/01/1419301101.db2.gz YLTPGFMKYOWJGX-UHFFFAOYSA-N 1 2 333.451 3.462 20 30 EGEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)c1ccc(C)s1 ZINC001714646912 1419422068 /nfs/dbraw/zinc/42/20/68/1419422068.db2.gz NMGKEIGJLGNCFW-UHFFFAOYSA-N 1 2 345.306 3.407 20 30 EGEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1ccc(C)s1 ZINC001714646912 1419422070 /nfs/dbraw/zinc/42/20/70/1419422070.db2.gz NMGKEIGJLGNCFW-UHFFFAOYSA-N 1 2 345.306 3.407 20 30 EGEDLO CC[C@H](CC(C)C)C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001714978885 1419713733 /nfs/dbraw/zinc/71/37/33/1419713733.db2.gz XXPDXOSNTLQDAW-QGZVFWFLSA-N 1 2 345.462 3.318 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)[C@@H]1CCCCC1(F)F ZINC001715910826 1420393761 /nfs/dbraw/zinc/39/37/61/1420393761.db2.gz ZCXSPKAECZGHIL-KRWDZBQOSA-N 1 2 349.425 3.274 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)[C@@H]1CCCCC1(F)F ZINC001715910826 1420393763 /nfs/dbraw/zinc/39/37/63/1420393763.db2.gz ZCXSPKAECZGHIL-KRWDZBQOSA-N 1 2 349.425 3.274 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C1(c2ccccc2F)CCC1 ZINC001717494958 1421435234 /nfs/dbraw/zinc/43/52/34/1421435234.db2.gz NEDZJNVDYFTNHR-CQSZACIVSA-N 1 2 338.854 3.436 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C1(c2ccccc2F)CCC1 ZINC001717494958 1421435235 /nfs/dbraw/zinc/43/52/35/1421435235.db2.gz NEDZJNVDYFTNHR-CQSZACIVSA-N 1 2 338.854 3.436 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cccc2c1OCC2(C)C ZINC001717501190 1421445264 /nfs/dbraw/zinc/44/52/64/1421445264.db2.gz HCGDAKUPQZGNBO-ZDUSSCGKSA-N 1 2 336.863 3.159 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cccc2c1OCC2(C)C ZINC001717501190 1421445265 /nfs/dbraw/zinc/44/52/65/1421445265.db2.gz HCGDAKUPQZGNBO-ZDUSSCGKSA-N 1 2 336.863 3.159 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)COc2ccc(C)cc2)[C@@H]1C ZINC001734457423 1438115043 /nfs/dbraw/zinc/11/50/43/1438115043.db2.gz JWQHXAYVYSYGDK-DOTOQJQBSA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)COc2ccc(C)cc2)[C@@H]1C ZINC001734457423 1438115045 /nfs/dbraw/zinc/11/50/45/1438115045.db2.gz JWQHXAYVYSYGDK-DOTOQJQBSA-N 1 2 336.863 3.095 20 30 EGEDLO C=CCCC(=O)N(C)C1CC[NH+]([C@H](C)c2nc(CCCC)no2)CC1 ZINC001752295164 1440166825 /nfs/dbraw/zinc/16/68/25/1440166825.db2.gz OGLONBQZNQYFSP-OAHLLOKOSA-N 1 2 348.491 3.362 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ncc(CC)o2)C1 ZINC001752995299 1440261843 /nfs/dbraw/zinc/26/18/43/1440261843.db2.gz RPXYKPBHHYKIBR-QGZVFWFLSA-N 1 2 345.487 3.244 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[C@@H]([N@H+](C)Cc2ncc(CC)o2)C1 ZINC001752995299 1440261844 /nfs/dbraw/zinc/26/18/44/1440261844.db2.gz RPXYKPBHHYKIBR-QGZVFWFLSA-N 1 2 345.487 3.244 20 30 EGEDLO CC(C)CCC(=O)NCC[N@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001753151648 1440328601 /nfs/dbraw/zinc/32/86/01/1440328601.db2.gz IJQBHQZNMPBGMP-UHFFFAOYSA-N 1 2 331.435 3.214 20 30 EGEDLO CC(C)CCC(=O)NCC[N@@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001753151648 1440328602 /nfs/dbraw/zinc/32/86/02/1440328602.db2.gz IJQBHQZNMPBGMP-UHFFFAOYSA-N 1 2 331.435 3.214 20 30 EGEDLO C=CCC1(C(=O)N(C)CC[NH2+]Cc2nnc(C(C)C)o2)CCCCC1 ZINC001753263960 1440344540 /nfs/dbraw/zinc/34/45/40/1440344540.db2.gz CJFJUPPARRBUQO-UHFFFAOYSA-N 1 2 348.491 3.268 20 30 EGEDLO CCCN(C(=O)C#CC(C)(C)C)[C@H]1CC[N@H+](Cc2ccns2)C1 ZINC001753316706 1440359992 /nfs/dbraw/zinc/35/99/92/1440359992.db2.gz YKZBYLVDSBCVKX-HNNXBMFYSA-N 1 2 333.501 3.006 20 30 EGEDLO CCCN(C(=O)C#CC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001753316706 1440359993 /nfs/dbraw/zinc/35/99/93/1440359993.db2.gz YKZBYLVDSBCVKX-HNNXBMFYSA-N 1 2 333.501 3.006 20 30 EGEDLO CC#CCCCC(=O)NC1C[NH+](CCCOc2c(C)cccc2C)C1 ZINC001753385079 1440388285 /nfs/dbraw/zinc/38/82/85/1440388285.db2.gz IHZOYSLFVRLJBF-UHFFFAOYSA-N 1 2 342.483 3.066 20 30 EGEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cn(C(C)C)nc1C ZINC001753424516 1440396341 /nfs/dbraw/zinc/39/63/41/1440396341.db2.gz AXFXPLDTUWIRHQ-ROUUACIJSA-N 1 2 344.503 3.160 20 30 EGEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cn(C(C)C)nc1C ZINC001753424516 1440396342 /nfs/dbraw/zinc/39/63/42/1440396342.db2.gz AXFXPLDTUWIRHQ-ROUUACIJSA-N 1 2 344.503 3.160 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C(C)(CC)CC)C1 ZINC001753448813 1440405107 /nfs/dbraw/zinc/40/51/07/1440405107.db2.gz BQCYLNVKCRKYHF-ZDUSSCGKSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(CC)CC)C1 ZINC001753448813 1440405108 /nfs/dbraw/zinc/40/51/08/1440405108.db2.gz BQCYLNVKCRKYHF-ZDUSSCGKSA-N 1 2 331.298 3.254 20 30 EGEDLO C=CC(C)(C)C(=O)NCc1ccc(C[NH2+]Cc2cc(C)on2)cc1 ZINC001753589645 1440442423 /nfs/dbraw/zinc/44/24/23/1440442423.db2.gz IKMVDAMRYCNZLO-UHFFFAOYSA-N 1 2 327.428 3.101 20 30 EGEDLO CC(C)=C(C)CC(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001753859611 1440510722 /nfs/dbraw/zinc/51/07/22/1440510722.db2.gz USJHIMOWYLYFDQ-UHFFFAOYSA-N 1 2 331.435 3.334 20 30 EGEDLO CC(C)=C(C)CC(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001753859611 1440510723 /nfs/dbraw/zinc/51/07/23/1440510723.db2.gz USJHIMOWYLYFDQ-UHFFFAOYSA-N 1 2 331.435 3.334 20 30 EGEDLO C[C@H](C[N@H+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@@H]1CC[C@@H](C)CC1 ZINC001754331507 1440584307 /nfs/dbraw/zinc/58/43/07/1440584307.db2.gz UJXFYXDOJCOGQR-BZUAXINKSA-N 1 2 345.462 3.460 20 30 EGEDLO C[C@H](C[N@@H+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@@H]1CC[C@@H](C)CC1 ZINC001754331507 1440584308 /nfs/dbraw/zinc/58/43/08/1440584308.db2.gz UJXFYXDOJCOGQR-BZUAXINKSA-N 1 2 345.462 3.460 20 30 EGEDLO C#CCC1(C(=O)N[C@@H](C)C[N@H+](C)Cc2nc(C)cs2)CCCCC1 ZINC001754336677 1440586791 /nfs/dbraw/zinc/58/67/91/1440586791.db2.gz OJSYKFYHLBWHTJ-HNNXBMFYSA-N 1 2 347.528 3.362 20 30 EGEDLO C#CCC1(C(=O)N[C@@H](C)C[N@@H+](C)Cc2nc(C)cs2)CCCCC1 ZINC001754336677 1440586792 /nfs/dbraw/zinc/58/67/92/1440586792.db2.gz OJSYKFYHLBWHTJ-HNNXBMFYSA-N 1 2 347.528 3.362 20 30 EGEDLO C#CCN(C(=O)[C@H](C)[C@@H](C)CC)C1CC[NH+](Cc2ncc(C)o2)CC1 ZINC001754642249 1440649265 /nfs/dbraw/zinc/64/92/65/1440649265.db2.gz VAUCHKZIAQCQSK-DOTOQJQBSA-N 1 2 345.487 3.091 20 30 EGEDLO CCCCCCC[N@@H+]1CC[C@@](C)(NC(=O)C(F)C(F)(F)F)C1 ZINC001754673447 1440658837 /nfs/dbraw/zinc/65/88/37/1440658837.db2.gz APOSJFAHMOUUQV-GXTWGEPZSA-N 1 2 326.378 3.438 20 30 EGEDLO CCCCCCC[N@H+]1CC[C@@](C)(NC(=O)C(F)C(F)(F)F)C1 ZINC001754673447 1440658838 /nfs/dbraw/zinc/65/88/38/1440658838.db2.gz APOSJFAHMOUUQV-GXTWGEPZSA-N 1 2 326.378 3.438 20 30 EGEDLO CCCCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001754673447 1440658839 /nfs/dbraw/zinc/65/88/39/1440658839.db2.gz APOSJFAHMOUUQV-GXTWGEPZSA-N 1 2 326.378 3.438 20 30 EGEDLO CCCCCCC[N@H+]1CC[C@@](C)(NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001754673447 1440658840 /nfs/dbraw/zinc/65/88/40/1440658840.db2.gz APOSJFAHMOUUQV-GXTWGEPZSA-N 1 2 326.378 3.438 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001754682950 1440663394 /nfs/dbraw/zinc/66/33/94/1440663394.db2.gz PTXMZDXJQMCWJK-SJCJKPOMSA-N 1 2 342.817 3.401 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001754682950 1440663395 /nfs/dbraw/zinc/66/33/95/1440663395.db2.gz PTXMZDXJQMCWJK-SJCJKPOMSA-N 1 2 342.817 3.401 20 30 EGEDLO CC(C)CC(=O)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H](C)C1 ZINC001755157537 1440763628 /nfs/dbraw/zinc/76/36/28/1440763628.db2.gz JIRLPJJHAYXFDO-KBXCAEBGSA-N 1 2 331.435 3.213 20 30 EGEDLO CC(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H](C)C1 ZINC001755157537 1440763629 /nfs/dbraw/zinc/76/36/29/1440763629.db2.gz JIRLPJJHAYXFDO-KBXCAEBGSA-N 1 2 331.435 3.213 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@H+](Cc2nnc(C(C)(C)C)o2)[C@@H](C)C1 ZINC001755159240 1440764131 /nfs/dbraw/zinc/76/41/31/1440764131.db2.gz FJDKJWJMQCRLIU-LSDHHAIUSA-N 1 2 348.491 3.193 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2nnc(C(C)(C)C)o2)[C@@H](C)C1 ZINC001755159240 1440764132 /nfs/dbraw/zinc/76/41/32/1440764132.db2.gz FJDKJWJMQCRLIU-LSDHHAIUSA-N 1 2 348.491 3.193 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ncc(C)o1 ZINC001755192804 1440775416 /nfs/dbraw/zinc/77/54/16/1440775416.db2.gz LYVWHYCPBJNKMS-KRWDZBQOSA-N 1 2 331.460 3.174 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ncc(C)o1 ZINC001755192804 1440775417 /nfs/dbraw/zinc/77/54/17/1440775417.db2.gz LYVWHYCPBJNKMS-KRWDZBQOSA-N 1 2 331.460 3.174 20 30 EGEDLO C#CCCCCC(=O)N[C@@H](C)C1C[NH+](Cc2ccc(F)cc2F)C1 ZINC001755375646 1440838169 /nfs/dbraw/zinc/83/81/69/1440838169.db2.gz YIYVIHQFYOVRAQ-AWEZNQCLSA-N 1 2 334.410 3.095 20 30 EGEDLO C[C@@H](NC(=O)/C=C\C(C)(C)C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001755380593 1440839191 /nfs/dbraw/zinc/83/91/91/1440839191.db2.gz HJAOTHODHSELNV-WBTMPAOCSA-N 1 2 343.446 3.236 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CCC[N@H+](Cc2cccc(F)c2F)[C@H]1C ZINC001755719214 1440906671 /nfs/dbraw/zinc/90/66/71/1440906671.db2.gz VYHLVSZUAFULOY-YOEHRIQHSA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)[C@H]1C ZINC001755719214 1440906672 /nfs/dbraw/zinc/90/66/72/1440906672.db2.gz VYHLVSZUAFULOY-YOEHRIQHSA-N 1 2 334.410 3.093 20 30 EGEDLO CC#CCCCC(=O)N[C@H](C[NH2+]CC(F)(F)C(F)F)C(C)(C)C ZINC001755829517 1440928263 /nfs/dbraw/zinc/92/82/63/1440928263.db2.gz DHAKNWLXPIWDKN-GFCCVEGCSA-N 1 2 338.389 3.201 20 30 EGEDLO C#CCCCCC(=O)NCC1=CC[N@H+](Cc2cccc(Cl)n2)CC1 ZINC001755883353 1440939855 /nfs/dbraw/zinc/93/98/55/1440939855.db2.gz JMNYEQIGOWRSSJ-UHFFFAOYSA-N 1 2 345.874 3.177 20 30 EGEDLO C#CCCCCC(=O)NCC1=CC[N@@H+](Cc2cccc(Cl)n2)CC1 ZINC001755883353 1440939856 /nfs/dbraw/zinc/93/98/56/1440939856.db2.gz JMNYEQIGOWRSSJ-UHFFFAOYSA-N 1 2 345.874 3.177 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000181316475 234150421 /nfs/dbraw/zinc/15/04/21/234150421.db2.gz HPOAHMDFKIFSAV-ZDUSSCGKSA-N 1 2 342.830 3.059 20 30 EGEDLO C[C@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1c(F)cccc1F ZINC000265240751 247329020 /nfs/dbraw/zinc/32/90/20/247329020.db2.gz WJMZTQGIYORUEE-SJCJKPOMSA-N 1 2 341.361 3.293 20 30 EGEDLO C=C(Cl)CNC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000267683648 251251894 /nfs/dbraw/zinc/25/18/94/251251894.db2.gz XATBPQIRAHPCIE-UHFFFAOYSA-N 1 2 332.835 3.068 20 30 EGEDLO C=CCn1c(SCc2c[nH+]cn2C)nc2sc(C)c(C)c2c1=O ZINC000267724539 251288298 /nfs/dbraw/zinc/28/82/98/251288298.db2.gz BSNGYFZNZWDOHP-UHFFFAOYSA-N 1 2 346.481 3.287 20 30 EGEDLO C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1c(F)cccc1F ZINC000267713657 251278132 /nfs/dbraw/zinc/27/81/32/251278132.db2.gz UACDNCSYWBDINF-HZMBPMFUSA-N 1 2 347.390 3.354 20 30 EGEDLO N#Cc1cc2c(nc1NCc1ccc(-n3cc[nH+]c3)c(F)c1)CCC2 ZINC000363445363 141462800 /nfs/dbraw/zinc/46/28/00/141462800.db2.gz PUIXXFUKDZUXBR-UHFFFAOYSA-N 1 2 333.370 3.379 20 30 EGEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000175227397 144060606 /nfs/dbraw/zinc/06/06/06/144060606.db2.gz OOHOELJGFJGPOF-CYBMUJFWSA-N 1 2 342.830 3.059 20 30 EGEDLO CN(C)C(=O)C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1 ZINC000341502705 155325555 /nfs/dbraw/zinc/32/55/55/155325555.db2.gz CRHUEAFXDDQGAU-GOSISDBHSA-N 1 2 325.387 3.007 20 30 EGEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190505486 153147054 /nfs/dbraw/zinc/14/70/54/153147054.db2.gz FPTMRSWMKPTORR-UHFFFAOYSA-N 1 2 329.350 3.275 20 30 EGEDLO Cn1cc(C[N@@H+]2CCc3cccc(Br)c3C2)cc1C#N ZINC000191375827 153191458 /nfs/dbraw/zinc/19/14/58/153191458.db2.gz YIZGXWJCPIXANA-UHFFFAOYSA-N 1 2 330.229 3.218 20 30 EGEDLO Cn1cc(C[N@H+]2CCc3cccc(Br)c3C2)cc1C#N ZINC000191375827 153191461 /nfs/dbraw/zinc/19/14/61/153191461.db2.gz YIZGXWJCPIXANA-UHFFFAOYSA-N 1 2 330.229 3.218 20 30 EGEDLO Cn1cc(C[N@@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1C#N ZINC000191417142 153194667 /nfs/dbraw/zinc/19/46/67/153194667.db2.gz NLQMOYKIBPAAER-QGZVFWFLSA-N 1 2 349.356 3.489 20 30 EGEDLO Cn1cc(C[N@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1C#N ZINC000191417142 153194671 /nfs/dbraw/zinc/19/46/71/153194671.db2.gz NLQMOYKIBPAAER-QGZVFWFLSA-N 1 2 349.356 3.489 20 30 EGEDLO COc1ccc(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)cc1C#N ZINC000340158095 155116884 /nfs/dbraw/zinc/11/68/84/155116884.db2.gz IDIZOMHXYWZULM-UHFFFAOYSA-N 1 2 344.418 3.311 20 30 EGEDLO COc1ccc(C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)cc1C#N ZINC000340158095 155116885 /nfs/dbraw/zinc/11/68/85/155116885.db2.gz IDIZOMHXYWZULM-UHFFFAOYSA-N 1 2 344.418 3.311 20 30 EGEDLO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC000101554880 162050096 /nfs/dbraw/zinc/05/00/96/162050096.db2.gz WYENEAIJQCXMHS-KRWDZBQOSA-N 1 2 348.450 3.016 20 30 EGEDLO CC(C)[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1cccnc1 ZINC000125621317 162281790 /nfs/dbraw/zinc/28/17/90/162281790.db2.gz IXDIWEHNZTVXCA-UHFFFAOYSA-N 1 2 342.830 3.456 20 30 EGEDLO CC(C)[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1cccnc1 ZINC000125621317 162281791 /nfs/dbraw/zinc/28/17/91/162281791.db2.gz IXDIWEHNZTVXCA-UHFFFAOYSA-N 1 2 342.830 3.456 20 30 EGEDLO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C#N)cc2)o1 ZINC000130892634 162384336 /nfs/dbraw/zinc/38/43/36/162384336.db2.gz NDAJXWYUOQDZNQ-QGZVFWFLSA-N 1 2 339.395 3.073 20 30 EGEDLO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(C#N)cc2)o1 ZINC000130892634 162384341 /nfs/dbraw/zinc/38/43/41/162384341.db2.gz NDAJXWYUOQDZNQ-QGZVFWFLSA-N 1 2 339.395 3.073 20 30 EGEDLO CN(CCCn1cc[nH+]c1)c1c(C#N)cnc2c(F)cc(F)cc21 ZINC000337102518 163128865 /nfs/dbraw/zinc/12/88/65/163128865.db2.gz FYZSRJYCCBJRLU-UHFFFAOYSA-N 1 2 327.338 3.108 20 30 EGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000338868997 163368965 /nfs/dbraw/zinc/36/89/65/163368965.db2.gz YODZVYACDRYPQL-UHFFFAOYSA-N 1 2 334.379 3.174 20 30 EGEDLO Cc1ccc(Cc2noc(-c3ccn(-c4cccc(C#N)c4)n3)n2)c[nH+]1 ZINC000346115962 164340551 /nfs/dbraw/zinc/34/05/51/164340551.db2.gz BRXKESBWNYWWSE-UHFFFAOYSA-N 1 2 342.362 3.088 20 30 EGEDLO CCCCSCCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000351950240 165163932 /nfs/dbraw/zinc/16/39/32/165163932.db2.gz ULQWGYWPWHCCHG-UHFFFAOYSA-N 1 2 345.512 3.126 20 30 EGEDLO CC(C)[C@@H](NC(=O)CSCc1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000352128533 165247983 /nfs/dbraw/zinc/24/79/83/165247983.db2.gz FYFYSOSRMJVOBV-MRXNPFEDSA-N 1 2 328.441 3.028 20 30 EGEDLO C[N@H+](Cc1nc(-c2cccs2)no1)Cc1ccc(F)c(C#N)c1 ZINC000352359474 165362528 /nfs/dbraw/zinc/36/25/28/165362528.db2.gz AROSBRKOMBXWRX-UHFFFAOYSA-N 1 2 328.372 3.441 20 30 EGEDLO C[N@@H+](Cc1nc(-c2cccs2)no1)Cc1ccc(F)c(C#N)c1 ZINC000352359474 165362530 /nfs/dbraw/zinc/36/25/30/165362530.db2.gz AROSBRKOMBXWRX-UHFFFAOYSA-N 1 2 328.372 3.441 20 30 EGEDLO CCn1ncnc1C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000355586643 166252020 /nfs/dbraw/zinc/25/20/20/166252020.db2.gz UOMWKZKWWHKOPP-UHFFFAOYSA-N 1 2 347.422 3.038 20 30 EGEDLO CN(Cc1cccc(C#N)c1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000360501233 167343297 /nfs/dbraw/zinc/34/32/97/167343297.db2.gz XSWWBEKFNJBFBV-UHFFFAOYSA-N 1 2 345.406 3.086 20 30 EGEDLO C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000365147122 168028085 /nfs/dbraw/zinc/02/80/85/168028085.db2.gz NJYMKPIMKCDGNX-NSHDSACASA-N 1 2 341.802 3.451 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)s1 ZINC000367354564 168212523 /nfs/dbraw/zinc/21/25/23/168212523.db2.gz WZLMGIVFQMAWBU-UHFFFAOYSA-N 1 2 326.421 3.420 20 30 EGEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000371464143 270046065 /nfs/dbraw/zinc/04/60/65/270046065.db2.gz PBMUKTPESCYCCK-NRFANRHFSA-N 1 2 332.403 3.144 20 30 EGEDLO C#CCOc1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000371464143 270046067 /nfs/dbraw/zinc/04/60/67/270046067.db2.gz PBMUKTPESCYCCK-NRFANRHFSA-N 1 2 332.403 3.144 20 30 EGEDLO CC(=O)c1ccccc1NC(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425540959 270049408 /nfs/dbraw/zinc/04/94/08/270049408.db2.gz WAIOKICYSOGZAF-CQSZACIVSA-N 1 2 335.407 3.392 20 30 EGEDLO CC(=O)c1ccccc1NC(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425540959 270049409 /nfs/dbraw/zinc/04/94/09/270049409.db2.gz WAIOKICYSOGZAF-CQSZACIVSA-N 1 2 335.407 3.392 20 30 EGEDLO N#Cc1csc(CNc2[nH]c3ccc(Br)cc3[nH+]2)c1 ZINC000446953494 270052370 /nfs/dbraw/zinc/05/23/70/270052370.db2.gz CIIASJMXSYUKQJ-UHFFFAOYSA-N 1 2 333.214 3.293 20 30 EGEDLO N#Cc1csc(CNc2[nH]c3cc(Br)ccc3[nH+]2)c1 ZINC000446953494 270052371 /nfs/dbraw/zinc/05/23/71/270052371.db2.gz CIIASJMXSYUKQJ-UHFFFAOYSA-N 1 2 333.214 3.293 20 30 EGEDLO CC(=O)c1cccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000450339565 270053054 /nfs/dbraw/zinc/05/30/54/270053054.db2.gz RGOXUJHFJIQBGW-UHFFFAOYSA-N 1 2 337.398 3.222 20 30 EGEDLO CCC1(CC)C[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)CCS1 ZINC000464580777 270055334 /nfs/dbraw/zinc/05/53/34/270055334.db2.gz BLKFYTTZAKWBNF-INIZCTEOSA-N 1 2 332.469 3.380 20 30 EGEDLO CCC1(CC)C[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)CCS1 ZINC000464580777 270055335 /nfs/dbraw/zinc/05/53/35/270055335.db2.gz BLKFYTTZAKWBNF-INIZCTEOSA-N 1 2 332.469 3.380 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)c1F ZINC000488972111 270056500 /nfs/dbraw/zinc/05/65/00/270056500.db2.gz BPAFHOWPGVWCAY-HNNXBMFYSA-N 1 2 329.350 3.275 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)c1F ZINC000488972111 270056501 /nfs/dbraw/zinc/05/65/01/270056501.db2.gz BPAFHOWPGVWCAY-HNNXBMFYSA-N 1 2 329.350 3.275 20 30 EGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)/C=C\c1ccc(C#N)cc1)C2 ZINC000491885302 270058231 /nfs/dbraw/zinc/05/82/31/270058231.db2.gz LMBLJIGWSAJIEM-HJWRWDBZSA-N 1 2 334.423 3.013 20 30 EGEDLO N#Cc1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)c(F)c1 ZINC000178771144 265340684 /nfs/dbraw/zinc/34/06/84/265340684.db2.gz NGYBUIVXHOAOJL-UHFFFAOYSA-N 1 2 327.378 3.154 20 30 EGEDLO CCN(C(=O)C1CC[NH+](CC(F)F)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000281027640 266093050 /nfs/dbraw/zinc/09/30/50/266093050.db2.gz UYKBLNXWJKQFFF-CQSZACIVSA-N 1 2 349.425 3.445 20 30 EGEDLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292198434 267006046 /nfs/dbraw/zinc/00/60/46/267006046.db2.gz NPPWTFGPVMFTJU-DZGCQCFKSA-N 1 2 340.427 3.453 20 30 EGEDLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292198434 267006047 /nfs/dbraw/zinc/00/60/47/267006047.db2.gz NPPWTFGPVMFTJU-DZGCQCFKSA-N 1 2 340.427 3.453 20 30 EGEDLO CCCc1csc(C[NH+]2CCN(c3ccccc3C#N)CC2)n1 ZINC000426061062 267043464 /nfs/dbraw/zinc/04/34/64/267043464.db2.gz JQEXIKKOVXXYMJ-UHFFFAOYSA-N 1 2 326.469 3.289 20 30 EGEDLO CCOC(=O)[C@H]1C[N@H+](Cc2cc(F)ccc2C#N)Cc2ccccc21 ZINC000441118550 267134745 /nfs/dbraw/zinc/13/47/45/267134745.db2.gz CDEZHOHFDXOVQJ-IBGZPJMESA-N 1 2 338.382 3.360 20 30 EGEDLO CCOC(=O)[C@H]1C[N@@H+](Cc2cc(F)ccc2C#N)Cc2ccccc21 ZINC000441118550 267134748 /nfs/dbraw/zinc/13/47/48/267134748.db2.gz CDEZHOHFDXOVQJ-IBGZPJMESA-N 1 2 338.382 3.360 20 30 EGEDLO CCOc1cccc(CNc2cc(C)[nH+]cc2C#N)c1OC(F)F ZINC000425247573 267173904 /nfs/dbraw/zinc/17/39/04/267173904.db2.gz ZZUOIIRSNJALHQ-UHFFFAOYSA-N 1 2 333.338 3.296 20 30 EGEDLO C[C@H](c1nccs1)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000274332619 267219027 /nfs/dbraw/zinc/21/90/27/267219027.db2.gz WQUGQCMCWQTOBV-CQSZACIVSA-N 1 2 349.463 3.446 20 30 EGEDLO Cc1c(Cl)cnc(N(C)Cc2[nH+]ccn2CC(F)(F)F)c1C#N ZINC000273322370 267294848 /nfs/dbraw/zinc/29/48/48/267294848.db2.gz KMKBGNPTCZJQBF-UHFFFAOYSA-N 1 2 343.740 3.310 20 30 EGEDLO Cc1cncc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)c1 ZINC000277653792 267837959 /nfs/dbraw/zinc/83/79/59/267837959.db2.gz DEILDLPLDWBRDE-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO Cc1cc(NCc2cc(Cl)c3c(c2)OCCCO3)c(C#N)c[nH+]1 ZINC000425197620 267951189 /nfs/dbraw/zinc/95/11/89/267951189.db2.gz CFWAJGRUIMOHNY-UHFFFAOYSA-N 1 2 329.787 3.110 20 30 EGEDLO Cc1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1Cl ZINC000447797846 268037433 /nfs/dbraw/zinc/03/74/33/268037433.db2.gz OHXQXUMUOIEPJC-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO N#Cc1ccc(CN(C(=O)C2CC[NH+](CC(F)F)CC2)C2CC2)cc1 ZINC000287486814 268061938 /nfs/dbraw/zinc/06/19/38/268061938.db2.gz INHGYOUVBDEMTN-UHFFFAOYSA-N 1 2 347.409 3.026 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNc1cc(C(F)(F)F)cnc1C#N)CCC2 ZINC000413194495 268069651 /nfs/dbraw/zinc/06/96/51/268069651.db2.gz BPBQGZJQOROSMR-NSHDSACASA-N 1 2 335.333 3.467 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(F)cc(Cl)c3)CC2)nc1 ZINC000275310343 268119005 /nfs/dbraw/zinc/11/90/05/268119005.db2.gz RFNMGMOENHRZDJ-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CCN(c3cc(C(F)(F)F)cc[nH+]3)C2)nc1 ZINC000292015066 268182910 /nfs/dbraw/zinc/18/29/10/268182910.db2.gz ZVQPLEBYHWFTPI-CYBMUJFWSA-N 1 2 334.301 3.025 20 30 EGEDLO N#Cc1ccc(C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)nc1 ZINC000107458812 275172422 /nfs/dbraw/zinc/17/24/22/275172422.db2.gz AQCPRSMDZLPOHB-UHFFFAOYSA-N 1 2 343.390 3.405 20 30 EGEDLO C[N@@H+]1CCN(C(=O)c2cc(C#N)ccc2Cl)[C@H](c2ccccc2)C1 ZINC000349486301 290029193 /nfs/dbraw/zinc/02/91/93/290029193.db2.gz XBUTZLDBQVDKMB-SFHVURJKSA-N 1 2 339.826 3.341 20 30 EGEDLO C[N@H+]1CCN(C(=O)c2cc(C#N)ccc2Cl)[C@H](c2ccccc2)C1 ZINC000349486301 290029195 /nfs/dbraw/zinc/02/91/95/290029195.db2.gz XBUTZLDBQVDKMB-SFHVURJKSA-N 1 2 339.826 3.341 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c(C#N)c1C ZINC000245927839 294037416 /nfs/dbraw/zinc/03/74/16/294037416.db2.gz IHQACOYLAQARMS-HUUCEWRRSA-N 1 2 333.457 3.067 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c(C#N)c1C ZINC000245927839 294037417 /nfs/dbraw/zinc/03/74/17/294037417.db2.gz IHQACOYLAQARMS-HUUCEWRRSA-N 1 2 333.457 3.067 20 30 EGEDLO Cc1ccc([C@@H](CNc2nc(C)ccc2C#N)[NH+]2CCOCC2)cc1 ZINC000160716885 307893969 /nfs/dbraw/zinc/89/39/69/307893969.db2.gz GFYLVHSEBONUCP-LJQANCHMSA-N 1 2 336.439 3.056 20 30 EGEDLO Cc1cc(C#N)cnc1C(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000550092871 315116123 /nfs/dbraw/zinc/11/61/23/315116123.db2.gz FDKADYRFYSSMKI-UHFFFAOYSA-N 1 2 331.379 3.128 20 30 EGEDLO CC1(C)CCCc2cc(C#N)c(N3CCN(c4cccc[nH+]4)CC3)nc21 ZINC000559222415 315621994 /nfs/dbraw/zinc/62/19/94/315621994.db2.gz JONFPQOEQZBQML-UHFFFAOYSA-N 1 2 347.466 3.289 20 30 EGEDLO C[C@@H]1C[N@@H+](CCSc2nc(C(F)(F)F)ccc2C#N)C[C@H](C)O1 ZINC000563439508 316022256 /nfs/dbraw/zinc/02/22/56/316022256.db2.gz LVSKCXLHFOXVAZ-PHIMTYICSA-N 1 2 345.390 3.173 20 30 EGEDLO C[C@@H]1C[N@H+](CCSc2nc(C(F)(F)F)ccc2C#N)C[C@H](C)O1 ZINC000563439508 316022260 /nfs/dbraw/zinc/02/22/60/316022260.db2.gz LVSKCXLHFOXVAZ-PHIMTYICSA-N 1 2 345.390 3.173 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](c3ccncc3)C2)c(C#N)c1C ZINC000564629238 316177162 /nfs/dbraw/zinc/17/71/62/316177162.db2.gz WIHFLUQLKMJKQM-OAHLLOKOSA-N 1 2 340.452 3.060 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](c3ccncc3)C2)c(C#N)c1C ZINC000564629238 316177164 /nfs/dbraw/zinc/17/71/64/316177164.db2.gz WIHFLUQLKMJKQM-OAHLLOKOSA-N 1 2 340.452 3.060 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000570665852 317090193 /nfs/dbraw/zinc/09/01/93/317090193.db2.gz FEWYVSVSAOYSNK-MOPGFXCFSA-N 1 2 329.407 3.433 20 30 EGEDLO CCc1[nH+]c2ccccc2n1C1CCN(c2ncncc2C#N)CC1 ZINC000572837344 317398856 /nfs/dbraw/zinc/39/88/56/317398856.db2.gz YFNRFIAOWFYWHY-UHFFFAOYSA-N 1 2 332.411 3.102 20 30 EGEDLO C[C@H](C#N)C[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000235124147 456150204 /nfs/dbraw/zinc/15/02/04/456150204.db2.gz PYHUWORIHBBEJD-SSDOTTSWSA-N 1 2 348.038 3.166 20 30 EGEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccc(C#N)c(Cl)c3)n2)C1 ZINC000350134608 324058069 /nfs/dbraw/zinc/05/80/69/324058069.db2.gz OPDBHRVOVIZREA-CQSZACIVSA-N 1 2 332.791 3.043 20 30 EGEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccc(C#N)c(Cl)c3)n2)C1 ZINC000350134608 324058071 /nfs/dbraw/zinc/05/80/71/324058071.db2.gz OPDBHRVOVIZREA-CQSZACIVSA-N 1 2 332.791 3.043 20 30 EGEDLO Cc1[nH+]c2cc(CNc3ncc4c(c3C#N)CCC4)ccc2n1C1CC1 ZINC000577650021 324843412 /nfs/dbraw/zinc/84/34/12/324843412.db2.gz ACDOFXTUWFETCW-UHFFFAOYSA-N 1 2 343.434 3.469 20 30 EGEDLO Cc1cccn2cc(CC(=O)N(C)[C@H](C)c3cccc(C#N)c3)[nH+]c12 ZINC000580888502 325305879 /nfs/dbraw/zinc/30/58/79/325305879.db2.gz MDCKXNCXBPUFDO-OAHLLOKOSA-N 1 2 332.407 3.277 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000339456232 457124636 /nfs/dbraw/zinc/12/46/36/457124636.db2.gz WLALRCQUBVWZSE-XJKSGUPXSA-N 1 2 348.409 3.007 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1[nH+]ccn1C ZINC000264518633 455228272 /nfs/dbraw/zinc/22/82/72/455228272.db2.gz BXVUAPMKMIVHOL-LBPRGKRZSA-N 1 2 329.429 3.136 20 30 EGEDLO C[C@]1(C#N)CCC[N@H+](C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000612167528 460559372 /nfs/dbraw/zinc/55/93/72/460559372.db2.gz NXDYQGNXBGJSSX-XJKSGUPXSA-N 1 2 342.361 3.071 20 30 EGEDLO C[C@]1(C#N)CCC[N@@H+](C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000612167528 460559377 /nfs/dbraw/zinc/55/93/77/460559377.db2.gz NXDYQGNXBGJSSX-XJKSGUPXSA-N 1 2 342.361 3.071 20 30 EGEDLO N#Cc1ccccc1Oc1ccccc1C(=O)NCCCn1cc[nH+]c1 ZINC000181130398 455292278 /nfs/dbraw/zinc/29/22/78/455292278.db2.gz CFMYPFWFFCRMMN-UHFFFAOYSA-N 1 2 346.390 3.367 20 30 EGEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000600761527 460593851 /nfs/dbraw/zinc/59/38/51/460593851.db2.gz ROWYCYVDDALWKO-NHYWBVRUSA-N 1 2 326.227 3.450 20 30 EGEDLO C[N@H+](CCOc1cccc(Cl)c1)CC(=O)Nc1sccc1C#N ZINC000015049889 453553125 /nfs/dbraw/zinc/55/31/25/453553125.db2.gz LNEDJWUMZHLRJT-UHFFFAOYSA-N 1 2 349.843 3.222 20 30 EGEDLO C[N@@H+](CCOc1cccc(Cl)c1)CC(=O)Nc1sccc1C#N ZINC000015049889 453553128 /nfs/dbraw/zinc/55/31/28/453553128.db2.gz LNEDJWUMZHLRJT-UHFFFAOYSA-N 1 2 349.843 3.222 20 30 EGEDLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026328188 453797288 /nfs/dbraw/zinc/79/72/88/453797288.db2.gz UTAUITYNUKPRQD-CQSZACIVSA-N 1 2 335.407 3.220 20 30 EGEDLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026328188 453797289 /nfs/dbraw/zinc/79/72/89/453797289.db2.gz UTAUITYNUKPRQD-CQSZACIVSA-N 1 2 335.407 3.220 20 30 EGEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000029534373 453829699 /nfs/dbraw/zinc/82/96/99/453829699.db2.gz RYUMCEADTHOJFM-MRXNPFEDSA-N 1 2 341.436 3.022 20 30 EGEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000029534373 453829700 /nfs/dbraw/zinc/82/97/00/453829700.db2.gz RYUMCEADTHOJFM-MRXNPFEDSA-N 1 2 341.436 3.022 20 30 EGEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000030205826 453834274 /nfs/dbraw/zinc/83/42/74/453834274.db2.gz RYZNLZWMTFIUKB-OAHLLOKOSA-N 1 2 339.414 3.349 20 30 EGEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000030205826 453834275 /nfs/dbraw/zinc/83/42/75/453834275.db2.gz RYZNLZWMTFIUKB-OAHLLOKOSA-N 1 2 339.414 3.349 20 30 EGEDLO CC(=O)c1c(F)cccc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000052718354 453842769 /nfs/dbraw/zinc/84/27/69/453842769.db2.gz XZUDRHZLVBGHCH-UHFFFAOYSA-N 1 2 337.398 3.222 20 30 EGEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)C#Cc2ccccc2)C[C@H](C)O1 ZINC000081554050 453885429 /nfs/dbraw/zinc/88/54/29/453885429.db2.gz PYMIQIZVWGNKHM-ROUUACIJSA-N 1 2 348.446 3.286 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(OC)cc1 ZINC000054271993 453919603 /nfs/dbraw/zinc/91/96/03/453919603.db2.gz ICQKRUOPEFTTBQ-UHFFFAOYSA-N 1 2 340.423 3.331 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(OC)cc1 ZINC000054271993 453919606 /nfs/dbraw/zinc/91/96/06/453919606.db2.gz ICQKRUOPEFTTBQ-UHFFFAOYSA-N 1 2 340.423 3.331 20 30 EGEDLO CCOc1ccc(N(CCC#N)C(=O)c2ccc3[nH+]ccn3c2)cc1 ZINC000068358544 454019816 /nfs/dbraw/zinc/01/98/16/454019816.db2.gz JLAYETWQJPNQSN-UHFFFAOYSA-N 1 2 334.379 3.293 20 30 EGEDLO N#Cc1cccc(NC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000043330039 454056542 /nfs/dbraw/zinc/05/65/42/454056542.db2.gz AEUWLESCVPXEFP-WEVVVXLNSA-N 1 2 346.434 3.421 20 30 EGEDLO C=CC[N@@H+](CC(=O)N[C@@H](C)c1ccccc1)Cc1cccc(C#N)c1 ZINC000068827174 454057858 /nfs/dbraw/zinc/05/78/58/454057858.db2.gz QIQGNUSYXLHDMM-KRWDZBQOSA-N 1 2 333.435 3.424 20 30 EGEDLO C=CC[N@H+](CC(=O)N[C@@H](C)c1ccccc1)Cc1cccc(C#N)c1 ZINC000068827174 454057861 /nfs/dbraw/zinc/05/78/61/454057861.db2.gz QIQGNUSYXLHDMM-KRWDZBQOSA-N 1 2 333.435 3.424 20 30 EGEDLO CN(C(=O)C[N@H+](C)Cc1ccc(F)c(F)c1)C1(C#N)CCCCC1 ZINC000044438372 454101570 /nfs/dbraw/zinc/10/15/70/454101570.db2.gz AAEOHOUBJPGSKY-UHFFFAOYSA-N 1 2 335.398 3.081 20 30 EGEDLO CN(C(=O)C[N@@H+](C)Cc1ccc(F)c(F)c1)C1(C#N)CCCCC1 ZINC000044438372 454101574 /nfs/dbraw/zinc/10/15/74/454101574.db2.gz AAEOHOUBJPGSKY-UHFFFAOYSA-N 1 2 335.398 3.081 20 30 EGEDLO COc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1F ZINC000088523996 454109479 /nfs/dbraw/zinc/10/94/79/454109479.db2.gz ISFRMGBYSHVHHQ-IBGZPJMESA-N 1 2 339.414 3.217 20 30 EGEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000044895871 454124970 /nfs/dbraw/zinc/12/49/70/454124970.db2.gz MTBREIHISOBOJS-SJLPKXTDSA-N 1 2 331.847 3.285 20 30 EGEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000044895871 454124973 /nfs/dbraw/zinc/12/49/73/454124973.db2.gz MTBREIHISOBOJS-SJLPKXTDSA-N 1 2 331.847 3.285 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000057753646 454145101 /nfs/dbraw/zinc/14/51/01/454145101.db2.gz XKELROMSDJRMTM-UHFFFAOYSA-N 1 2 337.261 3.052 20 30 EGEDLO C=C(Br)C[N@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000057753646 454145096 /nfs/dbraw/zinc/14/50/96/454145096.db2.gz XKELROMSDJRMTM-UHFFFAOYSA-N 1 2 337.261 3.052 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(C#N)CC2)c1 ZINC000057876527 454154248 /nfs/dbraw/zinc/15/42/48/454154248.db2.gz VIHVYDUKWZDJKX-QGZVFWFLSA-N 1 2 338.455 3.174 20 30 EGEDLO C[C@H](NC(=O)C[NH+]1CCC(C#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000057907084 454156671 /nfs/dbraw/zinc/15/66/71/454156671.db2.gz PRLWHBBOVPZZKR-NSHDSACASA-N 1 2 340.254 3.406 20 30 EGEDLO CC(C)(C)Oc1cc[nH+]cc1NC(=O)Cc1cccc(OCC#N)c1 ZINC000089832161 454211675 /nfs/dbraw/zinc/21/16/75/454211675.db2.gz AGZJKGRSYCCPAE-UHFFFAOYSA-N 1 2 339.395 3.342 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCC(F)(F)F)Cc1ccc(Cl)s1 ZINC000046171415 454225090 /nfs/dbraw/zinc/22/50/90/454225090.db2.gz RTVXIVXOKVGNPJ-UHFFFAOYSA-N 1 2 326.771 3.068 20 30 EGEDLO C=CC[N@H+](CC(=O)NCC(F)(F)F)Cc1ccc(Cl)s1 ZINC000046171415 454225092 /nfs/dbraw/zinc/22/50/92/454225092.db2.gz RTVXIVXOKVGNPJ-UHFFFAOYSA-N 1 2 326.771 3.068 20 30 EGEDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000072014152 454266516 /nfs/dbraw/zinc/26/65/16/454266516.db2.gz PCJZJELCPNYBJB-CYBMUJFWSA-N 1 2 328.366 3.115 20 30 EGEDLO NC(=[NH+]OC/C=C\c1ccccc1)c1ccc(N2CCCCC2)nc1 ZINC000096133993 454290402 /nfs/dbraw/zinc/29/04/02/454290402.db2.gz PRCKSBQUSPDDLS-YFHOEESVSA-N 1 2 336.439 3.422 20 30 EGEDLO C=CC[N@H+](CC(=O)NCCCc1ccccc1)Cc1cccs1 ZINC000060942766 454321246 /nfs/dbraw/zinc/32/12/46/454321246.db2.gz IGRQSYNQRIRQRN-UHFFFAOYSA-N 1 2 328.481 3.485 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCCCc1ccccc1)Cc1cccs1 ZINC000060942766 454321252 /nfs/dbraw/zinc/32/12/52/454321252.db2.gz IGRQSYNQRIRQRN-UHFFFAOYSA-N 1 2 328.481 3.485 20 30 EGEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NC1(c2ccccc2)CCC1 ZINC000072691881 454328519 /nfs/dbraw/zinc/32/85/19/454328519.db2.gz UUFLMSAXKDJEJG-UHFFFAOYSA-N 1 2 327.472 3.444 20 30 EGEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NC1(c2ccccc2)CCC1 ZINC000072691881 454328524 /nfs/dbraw/zinc/32/85/24/454328524.db2.gz UUFLMSAXKDJEJG-UHFFFAOYSA-N 1 2 327.472 3.444 20 30 EGEDLO C[C@@H]1C[NH+](CC(=O)Nc2ccccc2SCC#N)C[C@@H](C)S1 ZINC000072771332 454339041 /nfs/dbraw/zinc/33/90/41/454339041.db2.gz FESNWLDCFBYRPX-CHWSQXEVSA-N 1 2 335.498 3.067 20 30 EGEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cccnc2)cc1C ZINC000132690951 454358359 /nfs/dbraw/zinc/35/83/59/454358359.db2.gz ZWOYJWGZVUNPOE-UHFFFAOYSA-N 1 2 336.439 3.077 20 30 EGEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2cccnc2)cc1C ZINC000132690951 454358361 /nfs/dbraw/zinc/35/83/61/454358361.db2.gz ZWOYJWGZVUNPOE-UHFFFAOYSA-N 1 2 336.439 3.077 20 30 EGEDLO Cc1ccccc1-c1noc([C@@H](C)O[NH+]=C(N)[C@H](C)OCC(C)C)n1 ZINC000072921334 454363424 /nfs/dbraw/zinc/36/34/24/454363424.db2.gz IUZXTLUNXWWGJC-UONOGXRCSA-N 1 2 346.431 3.456 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H](OCC(C)C)C2)c1C#N ZINC000091072068 454376535 /nfs/dbraw/zinc/37/65/35/454376535.db2.gz WRJVKKDWRBDVKK-SFHVURJKSA-N 1 2 338.455 3.299 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H](OCC(C)C)C2)c1C#N ZINC000091072068 454376536 /nfs/dbraw/zinc/37/65/36/454376536.db2.gz WRJVKKDWRBDVKK-SFHVURJKSA-N 1 2 338.455 3.299 20 30 EGEDLO COc1ccc(C)cc1[C@@H](C)Nc1[nH+]cnc2c1cnn2CCC#N ZINC000097199724 454421788 /nfs/dbraw/zinc/42/17/88/454421788.db2.gz IUEYSXIHMFHWRD-CYBMUJFWSA-N 1 2 336.399 3.230 20 30 EGEDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N(CC)C[C@@H](C)C#N)s1 ZINC000122203862 454514186 /nfs/dbraw/zinc/51/41/86/454514186.db2.gz SVNOITYXSXBTMI-GXTWGEPZSA-N 1 2 336.505 3.015 20 30 EGEDLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N(CC)C[C@@H](C)C#N)s1 ZINC000122203862 454514189 /nfs/dbraw/zinc/51/41/89/454514189.db2.gz SVNOITYXSXBTMI-GXTWGEPZSA-N 1 2 336.505 3.015 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)OC(C)(C)C2)c1 ZINC000065427212 454566190 /nfs/dbraw/zinc/56/61/90/454566190.db2.gz JGOCXCVWVXXJSQ-KRWDZBQOSA-N 1 2 343.471 3.049 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)OC(C)(C)C2)c1 ZINC000065427212 454566195 /nfs/dbraw/zinc/56/61/95/454566195.db2.gz JGOCXCVWVXXJSQ-KRWDZBQOSA-N 1 2 343.471 3.049 20 30 EGEDLO N#Cc1cc(NC(=O)NCCCCNc2cccc[nH+]2)ccc1F ZINC000105037069 454618582 /nfs/dbraw/zinc/61/85/82/454618582.db2.gz HIWZLNWEBHVAJR-UHFFFAOYSA-N 1 2 327.363 3.106 20 30 EGEDLO CC(C)(C)C(=O)N1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135119637 454635629 /nfs/dbraw/zinc/63/56/29/454635629.db2.gz QYLITPNLXLYOKY-UHFFFAOYSA-N 1 2 327.472 3.178 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000052275475 454665538 /nfs/dbraw/zinc/66/55/38/454665538.db2.gz BVHRDAKNICTGOU-YJBOKZPZSA-N 1 2 348.874 3.302 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000052275475 454665540 /nfs/dbraw/zinc/66/55/40/454665540.db2.gz BVHRDAKNICTGOU-YJBOKZPZSA-N 1 2 348.874 3.302 20 30 EGEDLO N#CCC[N@@H+](CC(=O)N1CCC(Cc2ccccc2)CC1)CC1CC1 ZINC000176255579 454717922 /nfs/dbraw/zinc/71/79/22/454717922.db2.gz AMEMFKLVOJXFGE-UHFFFAOYSA-N 1 2 339.483 3.093 20 30 EGEDLO N#CCC[N@H+](CC(=O)N1CCC(Cc2ccccc2)CC1)CC1CC1 ZINC000176255579 454717928 /nfs/dbraw/zinc/71/79/28/454717928.db2.gz AMEMFKLVOJXFGE-UHFFFAOYSA-N 1 2 339.483 3.093 20 30 EGEDLO CCS[C@H](C)c1noc(CO[NH+]=C(N)c2cccc(Cl)c2)n1 ZINC000152880013 454736573 /nfs/dbraw/zinc/73/65/73/454736573.db2.gz NPSDNIUUONUXLK-SECBINFHSA-N 1 2 340.836 3.374 20 30 EGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCS[C@H](C)C1 ZINC000108372813 454795254 /nfs/dbraw/zinc/79/52/54/454795254.db2.gz GAIWXFDAJOZWGF-UONOGXRCSA-N 1 2 349.525 3.314 20 30 EGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCS[C@H](C)C1 ZINC000108372813 454795258 /nfs/dbraw/zinc/79/52/58/454795258.db2.gz GAIWXFDAJOZWGF-UONOGXRCSA-N 1 2 349.525 3.314 20 30 EGEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000153469731 454796986 /nfs/dbraw/zinc/79/69/86/454796986.db2.gz PJNQYXQMVQWGKV-UHFFFAOYSA-N 1 2 339.826 3.170 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000177032299 454813747 /nfs/dbraw/zinc/81/37/47/454813747.db2.gz QWDSOPCTWIWNQA-HOTGVXAUSA-N 1 2 341.436 3.108 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000177032299 454813751 /nfs/dbraw/zinc/81/37/51/454813751.db2.gz QWDSOPCTWIWNQA-HOTGVXAUSA-N 1 2 341.436 3.108 20 30 EGEDLO COCCN(C)c1ccc(/C=C/C(=O)c2ccc(OC)cc2)c[nH+]1 ZINC000191209559 455464866 /nfs/dbraw/zinc/46/48/66/455464866.db2.gz YIGKYOPKPAZFDT-ONNFQVAWSA-N 1 2 326.396 3.069 20 30 EGEDLO N#CC1(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCCCC1 ZINC000144398468 454848530 /nfs/dbraw/zinc/84/85/30/454848530.db2.gz UHWHIVUFAHUCAB-UHFFFAOYSA-N 1 2 326.375 3.102 20 30 EGEDLO C=C[C@@H](CC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000126319174 454884962 /nfs/dbraw/zinc/88/49/62/454884962.db2.gz XPGQDLWZMJVEBP-SFHVURJKSA-N 1 2 335.451 3.086 20 30 EGEDLO Cc1[nH+]ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1Cl ZINC000165278169 454897851 /nfs/dbraw/zinc/89/78/51/454897851.db2.gz LMAVJPZJJZOUDF-UHFFFAOYSA-N 1 2 342.207 3.369 20 30 EGEDLO N#Cc1ccc(NC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC000127474037 454967895 /nfs/dbraw/zinc/96/78/95/454967895.db2.gz QNIBJELDQNJYKL-HNNXBMFYSA-N 1 2 342.786 3.292 20 30 EGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1Cc2ccccc2C1 ZINC000155482788 455006823 /nfs/dbraw/zinc/00/68/23/455006823.db2.gz MRLPHYJWQGFTHM-INIZCTEOSA-N 1 2 349.434 3.346 20 30 EGEDLO Cn1cc(Br)cc1C[N@H+](C)Cc1ccc(F)cc1C#N ZINC000151651216 455012443 /nfs/dbraw/zinc/01/24/43/455012443.db2.gz LNOAPKLAXLPPRX-UHFFFAOYSA-N 1 2 336.208 3.430 20 30 EGEDLO Cn1cc(Br)cc1C[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000151651216 455012447 /nfs/dbraw/zinc/01/24/47/455012447.db2.gz LNOAPKLAXLPPRX-UHFFFAOYSA-N 1 2 336.208 3.430 20 30 EGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1Cc2ccccc2C1 ZINC000155533927 455012653 /nfs/dbraw/zinc/01/26/53/455012653.db2.gz NAEJGYKLMHFZBG-OAHLLOKOSA-N 1 2 337.398 3.477 20 30 EGEDLO C=CC1CCN(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC000115844279 455034105 /nfs/dbraw/zinc/03/41/05/455034105.db2.gz NHSNAEYAGDXQPG-MRXNPFEDSA-N 1 2 337.414 3.175 20 30 EGEDLO C[N@H+](Cc1ccccc1C#N)[C@H](CO)c1cccc(Br)c1 ZINC000179741116 455072253 /nfs/dbraw/zinc/07/22/53/455072253.db2.gz ZWUZXQOUJKUADZ-QGZVFWFLSA-N 1 2 345.240 3.486 20 30 EGEDLO C[N@@H+](Cc1ccccc1C#N)[C@H](CO)c1cccc(Br)c1 ZINC000179741116 455072257 /nfs/dbraw/zinc/07/22/57/455072257.db2.gz ZWUZXQOUJKUADZ-QGZVFWFLSA-N 1 2 345.240 3.486 20 30 EGEDLO O=C1c2cccc(F)c2OC/C1=C/c1[nH+]ccn1CC(F)(F)F ZINC000171541571 455076326 /nfs/dbraw/zinc/07/63/26/455076326.db2.gz APXXETGNHNPNOP-TWGQIWQCSA-N 1 2 326.249 3.243 20 30 EGEDLO N#CC1CC[NH+](CC[S@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000117875453 455094769 /nfs/dbraw/zinc/09/47/69/455094769.db2.gz PDSYAVCHVPVOHH-HXUWFJFHSA-N 1 2 331.268 3.337 20 30 EGEDLO COCC[N@H+](CCC#N)Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000119125840 455127358 /nfs/dbraw/zinc/12/73/58/455127358.db2.gz IEZRGGCZSYMPEC-UHFFFAOYSA-N 1 2 338.411 3.195 20 30 EGEDLO COCC[N@@H+](CCC#N)Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000119125840 455127363 /nfs/dbraw/zinc/12/73/63/455127363.db2.gz IEZRGGCZSYMPEC-UHFFFAOYSA-N 1 2 338.411 3.195 20 30 EGEDLO CC(C)c1noc(CO[NH+]=C(N)c2cccc(C(F)(F)F)c2)n1 ZINC000172412007 455152372 /nfs/dbraw/zinc/15/23/72/455152372.db2.gz HOUQWIJTBKMVFO-UHFFFAOYSA-N 1 2 328.294 3.049 20 30 EGEDLO O[C@@H](C[C@H]1COCC[N@@H+]1CC#Cc1ccc(F)cc1)c1ccccc1 ZINC000157070004 455163536 /nfs/dbraw/zinc/16/35/36/455163536.db2.gz KOEXDECSLAJORU-SFTDATJTSA-N 1 2 339.410 3.002 20 30 EGEDLO O[C@@H](C[C@H]1COCC[N@H+]1CC#Cc1ccc(F)cc1)c1ccccc1 ZINC000157070004 455163538 /nfs/dbraw/zinc/16/35/38/455163538.db2.gz KOEXDECSLAJORU-SFTDATJTSA-N 1 2 339.410 3.002 20 30 EGEDLO C[C@H](c1cccc(NC(=O)C2(C#N)CCCCC2)c1)[NH+]1CCOCC1 ZINC000264267670 455195824 /nfs/dbraw/zinc/19/58/24/455195824.db2.gz RGOROJVBGRZEHU-MRXNPFEDSA-N 1 2 341.455 3.492 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(=O)n2cccc(C)c2n1 ZINC000173554072 455304419 /nfs/dbraw/zinc/30/44/19/455304419.db2.gz DGFWTBXWJJRJQN-UHFFFAOYSA-N 1 2 326.444 3.155 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(=O)n2cccc(C)c2n1 ZINC000173554072 455304426 /nfs/dbraw/zinc/30/44/26/455304426.db2.gz DGFWTBXWJJRJQN-UHFFFAOYSA-N 1 2 326.444 3.155 20 30 EGEDLO C=CCC[C@H](NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000158692426 455322544 /nfs/dbraw/zinc/32/25/44/455322544.db2.gz KLYBGBMUCUQUKP-AOIWGVFYSA-N 1 2 345.487 3.102 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000184463691 455384935 /nfs/dbraw/zinc/38/49/35/455384935.db2.gz OBISTOHBPCCGHA-SJKOYZFVSA-N 1 2 336.505 3.146 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c(C#N)c1C ZINC000245927833 455401567 /nfs/dbraw/zinc/40/15/67/455401567.db2.gz IHQACOYLAQARMS-CABCVRRESA-N 1 2 333.457 3.067 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+]2CCS[C@H]3CCCC[C@H]32)c(C#N)c1C ZINC000245927833 455401572 /nfs/dbraw/zinc/40/15/72/455401572.db2.gz IHQACOYLAQARMS-CABCVRRESA-N 1 2 333.457 3.067 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000246325573 455470868 /nfs/dbraw/zinc/47/08/68/455470868.db2.gz DGJYESWTTTVTOZ-XLIONFOSSA-N 1 2 330.472 3.047 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000246325573 455470872 /nfs/dbraw/zinc/47/08/72/455470872.db2.gz DGJYESWTTTVTOZ-XLIONFOSSA-N 1 2 330.472 3.047 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000185087235 455499278 /nfs/dbraw/zinc/49/92/78/455499278.db2.gz XTQLOPKIEDTYKY-PBHICJAKSA-N 1 2 327.428 3.237 20 30 EGEDLO N#Cc1nc(Nc2ccc([NH+]3CCC(O)CC3)cc2)ccc1Cl ZINC000267243166 455522099 /nfs/dbraw/zinc/52/20/99/455522099.db2.gz SEDMIIUNUJWJKK-UHFFFAOYSA-N 1 2 328.803 3.311 20 30 EGEDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000161113924 455534741 /nfs/dbraw/zinc/53/47/41/455534741.db2.gz KRBJFNXOJMJWFR-CYBMUJFWSA-N 1 2 326.400 3.012 20 30 EGEDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000161113924 455534745 /nfs/dbraw/zinc/53/47/45/455534745.db2.gz KRBJFNXOJMJWFR-CYBMUJFWSA-N 1 2 326.400 3.012 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN([C@H](C)c2ccsc2)CC1 ZINC000185495869 455567724 /nfs/dbraw/zinc/56/77/24/455567724.db2.gz PVNRNDUFNDKNIB-SJORKVTESA-N 1 2 347.528 3.016 20 30 EGEDLO C[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CCCCC2)[C@@H](c2ccco2)C1 ZINC000247684408 455637433 /nfs/dbraw/zinc/63/74/33/455637433.db2.gz UTOGUVLIPMOQGO-HZPDHXFCSA-N 1 2 329.444 3.395 20 30 EGEDLO C[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)[C@@H](c2ccco2)C1 ZINC000247684408 455637436 /nfs/dbraw/zinc/63/74/36/455637436.db2.gz UTOGUVLIPMOQGO-HZPDHXFCSA-N 1 2 329.444 3.395 20 30 EGEDLO C#CCC(C)(C)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000185944710 455658976 /nfs/dbraw/zinc/65/89/76/455658976.db2.gz RCMHPLFLGOAFTC-UHFFFAOYSA-N 1 2 327.472 3.196 20 30 EGEDLO COc1cccc(C[NH+]2CCN(c3ccccc3C#N)CC2)c1F ZINC000192939114 455722616 /nfs/dbraw/zinc/72/26/16/455722616.db2.gz HKZBNTRAVSVQDH-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO COc1cccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c1F ZINC000192942804 455722979 /nfs/dbraw/zinc/72/29/79/455722979.db2.gz ZDKLPCYOOJLMMS-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO C=CCC[C@H]([NH2+]Cc1noc(CCCC(=O)OC)n1)c1ccccc1 ZINC000271725663 455736352 /nfs/dbraw/zinc/73/63/52/455736352.db2.gz MLOKHUHWGMIREY-INIZCTEOSA-N 1 2 343.427 3.362 20 30 EGEDLO CC[N@@H+](Cc1cc2c(c(Br)c1)OCO2)C[C@H](C)C#N ZINC000193500876 455761891 /nfs/dbraw/zinc/76/18/91/455761891.db2.gz SPGNQCHIZDRYRH-SNVBAGLBSA-N 1 2 325.206 3.159 20 30 EGEDLO CC[N@H+](Cc1cc2c(c(Br)c1)OCO2)C[C@H](C)C#N ZINC000193500876 455761893 /nfs/dbraw/zinc/76/18/93/455761893.db2.gz SPGNQCHIZDRYRH-SNVBAGLBSA-N 1 2 325.206 3.159 20 30 EGEDLO C[C@H](CNc1c(C#N)cnc2c(F)ccc(Cl)c21)[NH+]1CCOCC1 ZINC000193857572 455782958 /nfs/dbraw/zinc/78/29/58/455782958.db2.gz MWPHJVGUQXICQL-LLVKDONJSA-N 1 2 348.809 3.032 20 30 EGEDLO N#C[C@]1(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC12CCCC2 ZINC000294385888 455813876 /nfs/dbraw/zinc/81/38/76/455813876.db2.gz HOQDMALLBNGKKO-FQEVSTJZSA-N 1 2 338.455 3.162 20 30 EGEDLO C=CCOc1ccc(CC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000294825937 455828871 /nfs/dbraw/zinc/82/88/71/455828871.db2.gz WTLRCWIDGJWSMX-KRWDZBQOSA-N 1 2 325.412 3.271 20 30 EGEDLO C=C[C@](C)(O)CC(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000278510417 455838492 /nfs/dbraw/zinc/83/84/92/455838492.db2.gz ANYUYKQAXNMAQX-IBGZPJMESA-N 1 2 325.412 3.152 20 30 EGEDLO NC(COc1cc(F)cc(F)c1)=[NH+]OCc1csc(C2CC2)n1 ZINC000186835925 455841660 /nfs/dbraw/zinc/84/16/60/455841660.db2.gz MTVVYPWGVAFADB-UHFFFAOYSA-N 1 2 339.367 3.167 20 30 EGEDLO C=CCOc1ccc(CC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000295203393 455841926 /nfs/dbraw/zinc/84/19/26/455841926.db2.gz WIGOXSWSVVXQNV-VQIMIIECSA-N 1 2 339.439 3.100 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000278849168 455850697 /nfs/dbraw/zinc/85/06/97/455850697.db2.gz FMHOUYKYZHUPFP-QWRGUYRKSA-N 1 2 347.406 3.402 20 30 EGEDLO N#CCOc1ccc(/C=C\C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000255078401 455859751 /nfs/dbraw/zinc/85/97/51/455859751.db2.gz ZUEVRVYPFNDKCI-TWGQIWQCSA-N 1 2 344.374 3.427 20 30 EGEDLO CC1(C)C[C@H](O)CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000295967935 455864405 /nfs/dbraw/zinc/86/44/05/455864405.db2.gz IDMJYHBIDOXFPX-OAHLLOKOSA-N 1 2 337.261 3.304 20 30 EGEDLO CC1(C)C[C@H](O)CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000295967935 455864410 /nfs/dbraw/zinc/86/44/10/455864410.db2.gz IDMJYHBIDOXFPX-OAHLLOKOSA-N 1 2 337.261 3.304 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(OCC=C)c(OC)c2)n1 ZINC000279489153 455865990 /nfs/dbraw/zinc/86/59/90/455865990.db2.gz XUGWTNHSNLNWFH-UHFFFAOYSA-N 1 2 339.439 3.112 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(OCC=C)c(OC)c2)n1 ZINC000279489153 455865993 /nfs/dbraw/zinc/86/59/93/455865993.db2.gz XUGWTNHSNLNWFH-UHFFFAOYSA-N 1 2 339.439 3.112 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(SC)c(OC)c2)n1 ZINC000279739383 455872806 /nfs/dbraw/zinc/87/28/06/455872806.db2.gz OOTIGXXXTDLLJA-UHFFFAOYSA-N 1 2 329.469 3.269 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(SC)c(OC)c2)n1 ZINC000279739383 455872809 /nfs/dbraw/zinc/87/28/09/455872809.db2.gz OOTIGXXXTDLLJA-UHFFFAOYSA-N 1 2 329.469 3.269 20 30 EGEDLO N#CCc1ccc(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)cc1 ZINC000270190168 455898072 /nfs/dbraw/zinc/89/80/72/455898072.db2.gz AAWRCLFUCAZMAQ-UHFFFAOYSA-N 1 2 348.450 3.458 20 30 EGEDLO C[C@@H](C(=O)Nc1nc2ccccc2s1)[NH+]1CCC(C)(C#N)CC1 ZINC000272609463 456012474 /nfs/dbraw/zinc/01/24/74/456012474.db2.gz SDXHTSQLIXJCDM-LBPRGKRZSA-N 1 2 328.441 3.249 20 30 EGEDLO CC1(C)C[N@H+](CC(=O)NCc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000286741418 456053049 /nfs/dbraw/zinc/05/30/49/456053049.db2.gz IBHPUSIRXXYYPT-SFHVURJKSA-N 1 2 339.464 3.319 20 30 EGEDLO CC1(C)C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000286741418 456053053 /nfs/dbraw/zinc/05/30/53/456053053.db2.gz IBHPUSIRXXYYPT-SFHVURJKSA-N 1 2 339.464 3.319 20 30 EGEDLO CCCCc1cc(NC2CCN(c3ccc(C#N)cn3)CC2)nc[nH+]1 ZINC000601110686 460714748 /nfs/dbraw/zinc/71/47/48/460714748.db2.gz KKQOOCAFJUVFST-UHFFFAOYSA-N 1 2 336.443 3.167 20 30 EGEDLO CCOC(=O)C[N@H+](Cc1ccc(OC)c(OCCCC#N)c1)C(C)C ZINC000271144713 456140121 /nfs/dbraw/zinc/14/01/21/456140121.db2.gz ZTHWQLSGHQXLFU-UHFFFAOYSA-N 1 2 348.443 3.151 20 30 EGEDLO CCOC(=O)C[N@@H+](Cc1ccc(OC)c(OCCCC#N)c1)C(C)C ZINC000271144713 456140125 /nfs/dbraw/zinc/14/01/25/456140125.db2.gz ZTHWQLSGHQXLFU-UHFFFAOYSA-N 1 2 348.443 3.151 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC(F)(F)[C@H](C)C2)c(C#N)c1C ZINC000289864820 456160318 /nfs/dbraw/zinc/16/03/18/456160318.db2.gz QMWVFBZEXKNFLC-KOLCDFICSA-N 1 2 325.359 3.072 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC(F)(F)[C@H](C)C2)c(C#N)c1C ZINC000289864820 456160324 /nfs/dbraw/zinc/16/03/24/456160324.db2.gz QMWVFBZEXKNFLC-KOLCDFICSA-N 1 2 325.359 3.072 20 30 EGEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263711509 456199640 /nfs/dbraw/zinc/19/96/40/456199640.db2.gz QMUSHEOEDLRXCY-UHFFFAOYSA-N 1 2 340.431 3.249 20 30 EGEDLO CC(=O)c1ccc(C#N)c(NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000273208765 456214655 /nfs/dbraw/zinc/21/46/55/456214655.db2.gz MUQMVVQZMJIAAJ-UHFFFAOYSA-N 1 2 325.437 3.293 20 30 EGEDLO CC(=O)c1ccc(C#N)c(NCC[N@H+]2CCc3sccc3C2)c1 ZINC000273208765 456214663 /nfs/dbraw/zinc/21/46/63/456214663.db2.gz MUQMVVQZMJIAAJ-UHFFFAOYSA-N 1 2 325.437 3.293 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccccc3)s2)C1=O ZINC000281395663 456222048 /nfs/dbraw/zinc/22/20/48/456222048.db2.gz XENNREWUSZYOKY-MRXNPFEDSA-N 1 2 327.453 3.029 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccccc3)s2)C1=O ZINC000281395663 456222053 /nfs/dbraw/zinc/22/20/53/456222053.db2.gz XENNREWUSZYOKY-MRXNPFEDSA-N 1 2 327.453 3.029 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](COC)c1ccco1 ZINC000273333766 456223941 /nfs/dbraw/zinc/22/39/41/456223941.db2.gz CODREJZFGISIOD-HOCLYGCPSA-N 1 2 348.468 3.222 20 30 EGEDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000273722414 456243616 /nfs/dbraw/zinc/24/36/16/456243616.db2.gz RVTGANPKCKADAC-DTWKUNHWSA-N 1 2 349.847 3.049 20 30 EGEDLO N#Cc1c(C#N)c2c(nc1NCc1ccc(N)[nH+]c1)CCCCCC2 ZINC000281579049 456269910 /nfs/dbraw/zinc/26/99/10/456269910.db2.gz WFYTUWDQHXQDLA-UHFFFAOYSA-N 1 2 332.411 3.073 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000281678422 456291112 /nfs/dbraw/zinc/29/11/12/456291112.db2.gz ZLNGGWXLRDBNDL-IKGGRYGDSA-N 1 2 346.475 3.121 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2c2nc3ccccc3o2)C1=O ZINC000337171674 456333592 /nfs/dbraw/zinc/33/35/92/456333592.db2.gz DYEPHSLGZALESQ-HOTGVXAUSA-N 1 2 325.412 3.142 20 30 EGEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2c2nc3ccccc3o2)C1=O ZINC000337171674 456333597 /nfs/dbraw/zinc/33/35/97/456333597.db2.gz DYEPHSLGZALESQ-HOTGVXAUSA-N 1 2 325.412 3.142 20 30 EGEDLO C[N@H+](Cc1ccc(F)c(F)c1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000298202992 456389420 /nfs/dbraw/zinc/38/94/20/456389420.db2.gz LFUKEGVPYMJQAO-SFHVURJKSA-N 1 2 341.361 3.074 20 30 EGEDLO C[N@@H+](Cc1ccc(F)c(F)c1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000298202992 456389426 /nfs/dbraw/zinc/38/94/26/456389426.db2.gz LFUKEGVPYMJQAO-SFHVURJKSA-N 1 2 341.361 3.074 20 30 EGEDLO C=CCCc1ccccc1NC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000337586677 456402946 /nfs/dbraw/zinc/40/29/46/456402946.db2.gz FRBTUGCUNWBNIM-QGZVFWFLSA-N 1 2 331.460 3.038 20 30 EGEDLO C=CCCc1ccccc1NC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000337586677 456402948 /nfs/dbraw/zinc/40/29/48/456402948.db2.gz FRBTUGCUNWBNIM-QGZVFWFLSA-N 1 2 331.460 3.038 20 30 EGEDLO C=C[C@@](C)(CC)c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000276212125 456415076 /nfs/dbraw/zinc/41/50/76/456415076.db2.gz PIGQEFJAWZKORW-APWZRJJASA-N 1 2 327.428 3.497 20 30 EGEDLO C=C[C@@](C)(CC)c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000276212125 456415085 /nfs/dbraw/zinc/41/50/85/456415085.db2.gz PIGQEFJAWZKORW-APWZRJJASA-N 1 2 327.428 3.497 20 30 EGEDLO N#Cc1c(C[N@@H+](CCC2CCCCC2)CC(N)=O)cn2ccccc12 ZINC000337644708 456452737 /nfs/dbraw/zinc/45/27/37/456452737.db2.gz HWCWRRZWDBEGIJ-UHFFFAOYSA-N 1 2 338.455 3.069 20 30 EGEDLO N#Cc1c(C[N@H+](CCC2CCCCC2)CC(N)=O)cn2ccccc12 ZINC000337644708 456452740 /nfs/dbraw/zinc/45/27/40/456452740.db2.gz HWCWRRZWDBEGIJ-UHFFFAOYSA-N 1 2 338.455 3.069 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(F)ccc3F)CC2)c(F)c1 ZINC000337690284 456482714 /nfs/dbraw/zinc/48/27/14/456482714.db2.gz NSVKOIUZRTXXGW-UHFFFAOYSA-N 1 2 331.341 3.298 20 30 EGEDLO CCOc1ccccc1C[N@H+](CCCn1ccnc1)CC1(C#N)CC1 ZINC000343313594 456525106 /nfs/dbraw/zinc/52/51/06/456525106.db2.gz UEKCJCGEEIDZAN-UHFFFAOYSA-N 1 2 338.455 3.478 20 30 EGEDLO CCOc1ccccc1C[N@@H+](CCCn1ccnc1)CC1(C#N)CC1 ZINC000343313594 456525113 /nfs/dbraw/zinc/52/51/13/456525113.db2.gz UEKCJCGEEIDZAN-UHFFFAOYSA-N 1 2 338.455 3.478 20 30 EGEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)CC1(C#N)CC1 ZINC000343313594 456525120 /nfs/dbraw/zinc/52/51/20/456525120.db2.gz UEKCJCGEEIDZAN-UHFFFAOYSA-N 1 2 338.455 3.478 20 30 EGEDLO CC1CCN(c2ccc(CNC(=O)c3cccc(CC#N)c3)c[nH+]2)CC1 ZINC000298775137 456538099 /nfs/dbraw/zinc/53/80/99/456538099.db2.gz ISCGGHAPRRDVCO-UHFFFAOYSA-N 1 2 348.450 3.314 20 30 EGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCC(C)(C)C#N)n2)C1 ZINC000348375515 456654389 /nfs/dbraw/zinc/65/43/89/456654389.db2.gz AGSZIKFNOMFHRN-GFCCVEGCSA-N 1 2 335.477 3.046 20 30 EGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC(C)(C)C#N)n2)C1 ZINC000348375515 456654395 /nfs/dbraw/zinc/65/43/95/456654395.db2.gz AGSZIKFNOMFHRN-GFCCVEGCSA-N 1 2 335.477 3.046 20 30 EGEDLO Cc1nn(C)c(N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)c1C#N ZINC000348434772 456686714 /nfs/dbraw/zinc/68/67/14/456686714.db2.gz JHXCCNCMSPYVNA-AWEZNQCLSA-N 1 2 343.862 3.137 20 30 EGEDLO CC(C)(C)OC(=O)NCCC(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000328591879 456716042 /nfs/dbraw/zinc/71/60/42/456716042.db2.gz FOVDBLUIFVNCPP-UHFFFAOYSA-N 1 2 349.422 3.039 20 30 EGEDLO C=CCc1cc(C(=O)Nc2ccc[nH+]c2N(C)C)cc(OC)c1OC ZINC000353504600 456720354 /nfs/dbraw/zinc/72/03/54/456720354.db2.gz SHHVKHFQXMAKHJ-UHFFFAOYSA-N 1 2 341.411 3.146 20 30 EGEDLO C=CCOc1ccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1OC ZINC000299541177 456721913 /nfs/dbraw/zinc/72/19/13/456721913.db2.gz PABCCMVRQKMAAI-UHFFFAOYSA-N 1 2 341.411 3.003 20 30 EGEDLO O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)N[C@@H](c1ccccc1)C1CC1 ZINC000328691618 456738566 /nfs/dbraw/zinc/73/85/66/456738566.db2.gz CAIUVLLUQTWXDZ-NUJGCVRESA-N 1 2 327.428 3.145 20 30 EGEDLO O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)N[C@@H](c1ccccc1)C1CC1 ZINC000328691618 456738573 /nfs/dbraw/zinc/73/85/73/456738573.db2.gz CAIUVLLUQTWXDZ-NUJGCVRESA-N 1 2 327.428 3.145 20 30 EGEDLO CC[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)C[C@H](C)[S@@]1=O ZINC000348542846 456751302 /nfs/dbraw/zinc/75/13/02/456751302.db2.gz DWHOQEIUTYQTAA-HOSQHVHZSA-N 1 2 334.485 3.101 20 30 EGEDLO CC[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)C[C@H](C)[S@@]1=O ZINC000348542846 456751310 /nfs/dbraw/zinc/75/13/10/456751310.db2.gz DWHOQEIUTYQTAA-HOSQHVHZSA-N 1 2 334.485 3.101 20 30 EGEDLO C[C@](C#N)(NC(=O)C[NH+]1CC(c2nc3ccccc3s2)C1)C1CC1 ZINC000328915976 456790704 /nfs/dbraw/zinc/79/07/04/456790704.db2.gz RBYVPWMOACRULV-GOSISDBHSA-N 1 2 340.452 3.344 20 30 EGEDLO O=C(C[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1)NC1CCCCC1 ZINC000329209580 456853684 /nfs/dbraw/zinc/85/36/84/456853684.db2.gz CEPKTRQLMYYSQM-UHFFFAOYSA-N 1 2 349.519 3.390 20 30 EGEDLO O=C(C[N@H+]1CCCN(C(=O)CC2CCCC2)CC1)NC1CCCCC1 ZINC000329209580 456853686 /nfs/dbraw/zinc/85/36/86/456853686.db2.gz CEPKTRQLMYYSQM-UHFFFAOYSA-N 1 2 349.519 3.390 20 30 EGEDLO Cc1cc(C#N)cc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)n1 ZINC000341369323 456859772 /nfs/dbraw/zinc/85/97/72/456859772.db2.gz KIBZASYNKLVRFA-UHFFFAOYSA-N 1 2 332.860 3.299 20 30 EGEDLO O=C(N[C@@H]1CCOc2c(F)cccc21)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329252413 456860991 /nfs/dbraw/zinc/86/09/91/456860991.db2.gz VLEPOAVKJOFQFL-SJORKVTESA-N 1 2 348.418 3.249 20 30 EGEDLO O=C(N[C@@H]1CCOc2c(F)cccc21)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329252413 456860997 /nfs/dbraw/zinc/86/09/97/456860997.db2.gz VLEPOAVKJOFQFL-SJORKVTESA-N 1 2 348.418 3.249 20 30 EGEDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1CC(=O)NCCC1=CCCCC1 ZINC000329247646 456861215 /nfs/dbraw/zinc/86/12/15/456861215.db2.gz WFSRQVKFPSZVPA-UHFFFAOYSA-N 1 2 347.503 3.166 20 30 EGEDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1CC(=O)NCCC1=CCCCC1 ZINC000329247646 456861219 /nfs/dbraw/zinc/86/12/19/456861219.db2.gz WFSRQVKFPSZVPA-UHFFFAOYSA-N 1 2 347.503 3.166 20 30 EGEDLO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329259638 456862985 /nfs/dbraw/zinc/86/29/85/456862985.db2.gz FLNFUJJUCKOIFC-UKRRQHHQSA-N 1 2 344.846 3.334 20 30 EGEDLO O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)N1CCn2cc[nH+]c2C1 ZINC000329275163 456865111 /nfs/dbraw/zinc/86/51/11/456865111.db2.gz JSFSFXKTFLJRPZ-QGZVFWFLSA-N 1 2 340.402 3.388 20 30 EGEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@@H]1CC[C@H](F)C1 ZINC000329354378 456877198 /nfs/dbraw/zinc/87/71/98/456877198.db2.gz GJZKCGLCWJHTTE-NWDGAFQWSA-N 1 2 326.441 3.346 20 30 EGEDLO C[C@H]1CCN(C([O-])=[NH+]c2cnc3c(c2)CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000329422830 456887063 /nfs/dbraw/zinc/88/70/63/456887063.db2.gz FEWVIILOGUUCFP-KSSFIOAISA-N 1 2 339.443 3.286 20 30 EGEDLO C[C@H]1CCN(C(=O)Nc2cnc3c(c2)CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000329422830 456887068 /nfs/dbraw/zinc/88/70/68/456887068.db2.gz FEWVIILOGUUCFP-KSSFIOAISA-N 1 2 339.443 3.286 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NCC3CCCCC3)C2)[nH]1 ZINC000329452554 456893471 /nfs/dbraw/zinc/89/34/71/456893471.db2.gz NJBPARJTKQHHBB-XJKSGUPXSA-N 1 2 333.480 3.218 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)NCC3CCCCC3)C2)[nH]1 ZINC000329452554 456893473 /nfs/dbraw/zinc/89/34/73/456893473.db2.gz NJBPARJTKQHHBB-XJKSGUPXSA-N 1 2 333.480 3.218 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NCC3CCCCC3)C2)n1 ZINC000329452554 456893475 /nfs/dbraw/zinc/89/34/75/456893475.db2.gz NJBPARJTKQHHBB-XJKSGUPXSA-N 1 2 333.480 3.218 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@@H](C)C(=O)NCC3CCCCC3)C2)n1 ZINC000329452554 456893478 /nfs/dbraw/zinc/89/34/78/456893478.db2.gz NJBPARJTKQHHBB-XJKSGUPXSA-N 1 2 333.480 3.218 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)NCC3CCCCC3)C2)n[nH]1 ZINC000329452554 456893484 /nfs/dbraw/zinc/89/34/84/456893484.db2.gz NJBPARJTKQHHBB-XJKSGUPXSA-N 1 2 333.480 3.218 20 30 EGEDLO O=C(C[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1)NCC1CC1 ZINC000329491981 456899354 /nfs/dbraw/zinc/89/93/54/456899354.db2.gz VVJDOCRXZACZKG-MRXNPFEDSA-N 1 2 345.491 3.398 20 30 EGEDLO O=C(C[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1)NCC1CC1 ZINC000329491981 456899358 /nfs/dbraw/zinc/89/93/58/456899358.db2.gz VVJDOCRXZACZKG-MRXNPFEDSA-N 1 2 345.491 3.398 20 30 EGEDLO O=C(C[N@@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1)NCC1CC1 ZINC000329491981 456899361 /nfs/dbraw/zinc/89/93/61/456899361.db2.gz VVJDOCRXZACZKG-MRXNPFEDSA-N 1 2 345.491 3.398 20 30 EGEDLO O=C(C[N@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1)NCC1CC1 ZINC000329491981 456899364 /nfs/dbraw/zinc/89/93/64/456899364.db2.gz VVJDOCRXZACZKG-MRXNPFEDSA-N 1 2 345.491 3.398 20 30 EGEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CC2(CCC2)c2c1cccc2F ZINC000329619598 456916791 /nfs/dbraw/zinc/91/67/91/456916791.db2.gz MGSDAMKHLHEOSU-GFCCVEGCSA-N 1 2 340.402 3.262 20 30 EGEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CC2(CCC2)c2c1cccc2F ZINC000329619598 456916794 /nfs/dbraw/zinc/91/67/94/456916794.db2.gz MGSDAMKHLHEOSU-GFCCVEGCSA-N 1 2 340.402 3.262 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccon1 ZINC000349254654 456925595 /nfs/dbraw/zinc/92/55/95/456925595.db2.gz ZYJBWZRRGBQNIR-CHWSQXEVSA-N 1 2 344.440 3.216 20 30 EGEDLO CC(C)(C)CCCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000349260925 456926477 /nfs/dbraw/zinc/92/64/77/456926477.db2.gz LRCPRUYDJMPDEU-UHFFFAOYSA-N 1 2 327.472 3.419 20 30 EGEDLO [O-]C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329689715 456927661 /nfs/dbraw/zinc/92/76/61/456927661.db2.gz GJXQVISEFNHQDB-GRYCIOLGSA-N 1 2 344.381 3.139 20 30 EGEDLO [O-]C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329689715 456927666 /nfs/dbraw/zinc/92/76/66/456927666.db2.gz GJXQVISEFNHQDB-GRYCIOLGSA-N 1 2 344.381 3.139 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc[nH]c3C3CCC3)CC2)cc1 ZINC000345178422 456954851 /nfs/dbraw/zinc/95/48/51/456954851.db2.gz KKBPIBRRIHGHEZ-UHFFFAOYSA-N 1 2 348.450 3.112 20 30 EGEDLO CC(C)[C@H](NC(=O)C[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1)c1ccccc1 ZINC000329914125 456960597 /nfs/dbraw/zinc/96/05/97/456960597.db2.gz PBJDGAMGCXVHNE-LSTHTHJFSA-N 1 2 346.471 3.220 20 30 EGEDLO CC(C)[C@H](NC(=O)C[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1)c1ccccc1 ZINC000329914125 456960601 /nfs/dbraw/zinc/96/06/01/456960601.db2.gz PBJDGAMGCXVHNE-LSTHTHJFSA-N 1 2 346.471 3.220 20 30 EGEDLO C[N@@H+]1CCN(C(=O)c2cc(C#N)ccc2Cl)[C@@H](c2ccccc2)C1 ZINC000349486300 456975576 /nfs/dbraw/zinc/97/55/76/456975576.db2.gz XBUTZLDBQVDKMB-GOSISDBHSA-N 1 2 339.826 3.341 20 30 EGEDLO C[N@H+]1CCN(C(=O)c2cc(C#N)ccc2Cl)[C@@H](c2ccccc2)C1 ZINC000349486300 456975579 /nfs/dbraw/zinc/97/55/79/456975579.db2.gz XBUTZLDBQVDKMB-GOSISDBHSA-N 1 2 339.826 3.341 20 30 EGEDLO [O-]C(=[NH+][C@@H]1CC[C@H](c2cccc(F)c2)C1)N1CCn2cc[nH+]c2C1 ZINC000330035553 456977504 /nfs/dbraw/zinc/97/75/04/456977504.db2.gz XNFMSHRCKBRTBO-GOEBONIOSA-N 1 2 328.391 3.088 20 30 EGEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000345793797 456994786 /nfs/dbraw/zinc/99/47/86/456994786.db2.gz GOBFWPBSCYGJNK-QRQLOZEOSA-N 1 2 348.450 3.315 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3c(F)cccc3F)CC2)cc1 ZINC000349613989 456996000 /nfs/dbraw/zinc/99/60/00/456996000.db2.gz QGEFIHQOGMPNLI-UHFFFAOYSA-N 1 2 327.378 3.154 20 30 EGEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000330213381 457003909 /nfs/dbraw/zinc/00/39/09/457003909.db2.gz FJEBDLKABYPCEX-HZPDHXFCSA-N 1 2 346.475 3.098 20 30 EGEDLO CCc1ccc(NC(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)cc1F ZINC000330282189 457021042 /nfs/dbraw/zinc/02/10/42/457021042.db2.gz ALFHDIDKDTZCKV-YOEHRIQHSA-N 1 2 346.406 3.177 20 30 EGEDLO CC(C)c1nnc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)[nH]1 ZINC000330308323 457025929 /nfs/dbraw/zinc/02/59/29/457025929.db2.gz MGHKZEGMUXGGAN-UHFFFAOYSA-N 1 2 333.480 3.429 20 30 EGEDLO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nnc(C(C)C)[nH]3)C2)n1 ZINC000330323193 457027009 /nfs/dbraw/zinc/02/70/09/457027009.db2.gz SWFIEIMSQUFRKC-AWEZNQCLSA-N 1 2 342.447 3.132 20 30 EGEDLO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3nnc(C(C)C)[nH]3)C2)n1 ZINC000330323193 457027014 /nfs/dbraw/zinc/02/70/14/457027014.db2.gz SWFIEIMSQUFRKC-AWEZNQCLSA-N 1 2 342.447 3.132 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000341994279 457048964 /nfs/dbraw/zinc/04/89/64/457048964.db2.gz SICKPFFKZOTAGT-UHFFFAOYSA-N 1 2 329.375 3.233 20 30 EGEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccc(C(=O)OC(C)C)cc2)CC1 ZINC000341998970 457052472 /nfs/dbraw/zinc/05/24/72/457052472.db2.gz JCZLRNMBYNSIPO-OAHLLOKOSA-N 1 2 330.428 3.231 20 30 EGEDLO CCC[C@H](O)CNC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000330786281 457086133 /nfs/dbraw/zinc/08/61/33/457086133.db2.gz VKUKZNSRPQQHFM-HOCLYGCPSA-N 1 2 334.464 3.256 20 30 EGEDLO COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+](CCC#N)CCC(C)C ZINC000356649157 457101219 /nfs/dbraw/zinc/10/12/19/457101219.db2.gz GTEIATNLFHAHRP-KRWDZBQOSA-N 1 2 345.487 3.476 20 30 EGEDLO COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+](CCC#N)CCC(C)C ZINC000356649157 457101225 /nfs/dbraw/zinc/10/12/25/457101225.db2.gz GTEIATNLFHAHRP-KRWDZBQOSA-N 1 2 345.487 3.476 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000339456232 457124628 /nfs/dbraw/zinc/12/46/28/457124628.db2.gz WLALRCQUBVWZSE-XJKSGUPXSA-N 1 2 348.409 3.007 20 30 EGEDLO Cc1cc(C)c(NC(=O)NC[C@H]2CCN(CC(F)(F)F)C2)c(C)[nH+]1 ZINC000331231224 457150374 /nfs/dbraw/zinc/15/03/74/457150374.db2.gz IDOPRFPMZSQSAG-CYBMUJFWSA-N 1 2 344.381 3.217 20 30 EGEDLO C=C[C@H](CO)NC(=O)Nc1cccc(-c2[nH+]ccn2CCCC)c1 ZINC000350176053 457169366 /nfs/dbraw/zinc/16/93/66/457169366.db2.gz RFDYXYMMCSMGDM-OAHLLOKOSA-N 1 2 328.416 3.019 20 30 EGEDLO Cc1nc(N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(C)c(C)[nH+]1 ZINC000354379869 457188251 /nfs/dbraw/zinc/18/82/51/457188251.db2.gz GFXMBUHBLAPYPI-UHFFFAOYSA-N 1 2 349.438 3.129 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(CC#N)cc1)c1ccccc1F ZINC000363159375 457241069 /nfs/dbraw/zinc/24/10/69/457241069.db2.gz NRLKCCSJGMZUFK-SFHVURJKSA-N 1 2 348.381 3.145 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000347127505 457244245 /nfs/dbraw/zinc/24/42/45/457244245.db2.gz HMWFRCCEXWCPNQ-JTQLQIEISA-N 1 2 345.187 3.382 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000347127505 457244249 /nfs/dbraw/zinc/24/42/49/457244249.db2.gz HMWFRCCEXWCPNQ-JTQLQIEISA-N 1 2 345.187 3.382 20 30 EGEDLO CCC(CC)CN(CCC#N)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000354681341 457308566 /nfs/dbraw/zinc/30/85/66/457308566.db2.gz BMOBMBMYLNATFZ-UHFFFAOYSA-N 1 2 329.435 3.142 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cnn(CC(F)F)c1 ZINC000351760861 457317292 /nfs/dbraw/zinc/31/72/92/457317292.db2.gz PAFGDJPCCCRYNY-IAGOWNOFSA-N 1 2 330.382 3.420 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cnn(CC(F)F)c1 ZINC000351760861 457317297 /nfs/dbraw/zinc/31/72/97/457317297.db2.gz PAFGDJPCCCRYNY-IAGOWNOFSA-N 1 2 330.382 3.420 20 30 EGEDLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)o1 ZINC000355198899 457347345 /nfs/dbraw/zinc/34/73/45/457347345.db2.gz ODDXRBYQMZCVGA-PBOVLVJJSA-N 1 2 347.418 3.248 20 30 EGEDLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)o1 ZINC000355198899 457347350 /nfs/dbraw/zinc/34/73/50/457347350.db2.gz ODDXRBYQMZCVGA-PBOVLVJJSA-N 1 2 347.418 3.248 20 30 EGEDLO Cc1ncsc1C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000352365965 457358122 /nfs/dbraw/zinc/35/81/22/457358122.db2.gz ZNGWXAKTINWFOC-MRXNPFEDSA-N 1 2 346.887 3.487 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000356283796 457556635 /nfs/dbraw/zinc/55/66/35/457556635.db2.gz RVLSXTSWDHGBKX-UHFFFAOYSA-N 1 2 337.345 3.329 20 30 EGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000357527782 457579339 /nfs/dbraw/zinc/57/93/39/457579339.db2.gz LEOSNFPASGQADB-UHFFFAOYSA-N 1 2 347.378 3.348 20 30 EGEDLO CCO[C@H](C)c1noc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000374312962 457580725 /nfs/dbraw/zinc/58/07/25/457580725.db2.gz SRTXKVJUWPCGQA-CQSZACIVSA-N 1 2 338.411 3.328 20 30 EGEDLO CCO[C@H](C)c1noc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000374312962 457580732 /nfs/dbraw/zinc/58/07/32/457580732.db2.gz SRTXKVJUWPCGQA-CQSZACIVSA-N 1 2 338.411 3.328 20 30 EGEDLO CC(C)c1nnc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)s1 ZINC000425537207 457589412 /nfs/dbraw/zinc/58/94/12/457589412.db2.gz QADYRQOGDDQMDG-GFCCVEGCSA-N 1 2 343.456 3.165 20 30 EGEDLO CC(C)c1nnc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)s1 ZINC000425537207 457589417 /nfs/dbraw/zinc/58/94/17/457589417.db2.gz QADYRQOGDDQMDG-GFCCVEGCSA-N 1 2 343.456 3.165 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000370405291 457640287 /nfs/dbraw/zinc/64/02/87/457640287.db2.gz JNKIZPALSVPIJH-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000370405291 457640292 /nfs/dbraw/zinc/64/02/92/457640292.db2.gz JNKIZPALSVPIJH-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO C=CCOc1cccc(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000364713169 457678822 /nfs/dbraw/zinc/67/88/22/457678822.db2.gz URXAEGNIHAJKEQ-AWEZNQCLSA-N 1 2 326.400 3.006 20 30 EGEDLO CC1CCN(c2ccc(CNC(=O)N(C)CC(C)(C)C#N)c[nH+]2)CC1 ZINC000457649868 457779534 /nfs/dbraw/zinc/77/95/34/457779534.db2.gz HSBASJNUKWMUFE-UHFFFAOYSA-N 1 2 343.475 3.009 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3cccc(Cl)c3O)CCO2)c1 ZINC000371416695 457920134 /nfs/dbraw/zinc/92/01/34/457920134.db2.gz HSXNBGXVIXKWSI-KRWDZBQOSA-N 1 2 328.799 3.491 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)CCO2)c1 ZINC000371416695 457920143 /nfs/dbraw/zinc/92/01/43/457920143.db2.gz HSXNBGXVIXKWSI-KRWDZBQOSA-N 1 2 328.799 3.491 20 30 EGEDLO Cn1c2ccccc2nc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367066943 457925593 /nfs/dbraw/zinc/92/55/93/457925593.db2.gz PEMFCZCVEXTDRL-UHFFFAOYSA-N 1 2 331.423 3.026 20 30 EGEDLO C=CC[N@@H+](CCOC)CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000361995038 457996560 /nfs/dbraw/zinc/99/65/60/457996560.db2.gz BCSQIJRUYGDAJQ-UHFFFAOYSA-N 1 2 338.451 3.354 20 30 EGEDLO C=CC[N@H+](CCOC)CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000361995038 457996568 /nfs/dbraw/zinc/99/65/68/457996568.db2.gz BCSQIJRUYGDAJQ-UHFFFAOYSA-N 1 2 338.451 3.354 20 30 EGEDLO CCN(Cc1cccc(F)c1)C(=O)C[N@H+](CCC#N)CCC(C)C ZINC000362171167 458039543 /nfs/dbraw/zinc/03/95/43/458039543.db2.gz WKAZFIFQEFMHOD-UHFFFAOYSA-N 1 2 333.451 3.436 20 30 EGEDLO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+](CCC#N)CCC(C)C ZINC000362171167 458039551 /nfs/dbraw/zinc/03/95/51/458039551.db2.gz WKAZFIFQEFMHOD-UHFFFAOYSA-N 1 2 333.451 3.436 20 30 EGEDLO Cc1cccc2ncc(C[NH+]3CCN([C@H](C#N)c4ccccc4)CC3)n21 ZINC000434988862 458075724 /nfs/dbraw/zinc/07/57/24/458075724.db2.gz XJOFECWMPXDXAB-HXUWFJFHSA-N 1 2 345.450 3.025 20 30 EGEDLO Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000369205412 458123516 /nfs/dbraw/zinc/12/35/16/458123516.db2.gz JOONHTQCKPXJFN-KRWDZBQOSA-N 1 2 348.450 3.274 20 30 EGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCC(C)(C)CCC#N ZINC000358676822 458145771 /nfs/dbraw/zinc/14/57/71/458145771.db2.gz AHTPXMKXNFXPRO-UHFFFAOYSA-N 1 2 333.480 3.197 20 30 EGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCC(C)(C)CCC#N)c1C ZINC000358698254 458157679 /nfs/dbraw/zinc/15/76/79/458157679.db2.gz UITADKWXUGWCIB-UHFFFAOYSA-N 1 2 332.448 3.178 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000372297441 458269196 /nfs/dbraw/zinc/26/91/96/458269196.db2.gz VBGYNGNAWZVQKR-INIZCTEOSA-N 1 2 347.846 3.041 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000372297441 458269204 /nfs/dbraw/zinc/26/92/04/458269204.db2.gz VBGYNGNAWZVQKR-INIZCTEOSA-N 1 2 347.846 3.041 20 30 EGEDLO N#C[C@@H](C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1nc2ccccc2[nH]1 ZINC000436700178 458363587 /nfs/dbraw/zinc/36/35/87/458363587.db2.gz YHKJTLCMPXOXSV-INIZCTEOSA-N 1 2 341.374 3.298 20 30 EGEDLO N#Cc1ccc(OCc2cccc(C[NH+]3CCOCC3)c2)cc1F ZINC000421217966 458408850 /nfs/dbraw/zinc/40/88/50/458408850.db2.gz RCVPYPBBMYEYOZ-UHFFFAOYSA-N 1 2 326.371 3.109 20 30 EGEDLO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccc(C#N)cc1Cl ZINC000459571108 458415265 /nfs/dbraw/zinc/41/52/65/458415265.db2.gz FRHVQONXGPJJOI-UHFFFAOYSA-N 1 2 346.862 3.211 20 30 EGEDLO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccc(C#N)cc1Cl ZINC000459571108 458415268 /nfs/dbraw/zinc/41/52/68/458415268.db2.gz FRHVQONXGPJJOI-UHFFFAOYSA-N 1 2 346.862 3.211 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000376939077 458425675 /nfs/dbraw/zinc/42/56/75/458425675.db2.gz IJWIIFHUNHAXRV-KRWDZBQOSA-N 1 2 331.847 3.189 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000376939077 458425677 /nfs/dbraw/zinc/42/56/77/458425677.db2.gz IJWIIFHUNHAXRV-KRWDZBQOSA-N 1 2 331.847 3.189 20 30 EGEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422207434 458426219 /nfs/dbraw/zinc/42/62/19/458426219.db2.gz MEINXTHPTIKAAQ-UHFFFAOYSA-N 1 2 334.423 3.468 20 30 EGEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@]2(C#N)C[C@H]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450408268 458447012 /nfs/dbraw/zinc/44/70/12/458447012.db2.gz SMXJGLHSIOENBU-PYQFNLFUSA-N 1 2 349.837 3.280 20 30 EGEDLO CC[N@H+]1CC[C@H](NC(=O)[C@]2(C#N)C[C@H]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450408268 458447015 /nfs/dbraw/zinc/44/70/15/458447015.db2.gz SMXJGLHSIOENBU-PYQFNLFUSA-N 1 2 349.837 3.280 20 30 EGEDLO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+]1CC1(C#N)CCC1 ZINC000450837936 458457558 /nfs/dbraw/zinc/45/75/58/458457558.db2.gz DPWNCBHHEVMBKB-FQEVSTJZSA-N 1 2 326.440 3.321 20 30 EGEDLO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+]1CC1(C#N)CCC1 ZINC000450837936 458457562 /nfs/dbraw/zinc/45/75/62/458457562.db2.gz DPWNCBHHEVMBKB-FQEVSTJZSA-N 1 2 326.440 3.321 20 30 EGEDLO CC(C)([NH2+]CC#Cc1ccccc1Cl)c1nnc2n1CCCC2 ZINC000451404295 458476302 /nfs/dbraw/zinc/47/63/02/458476302.db2.gz NLBAQIBBPBLHKD-UHFFFAOYSA-N 1 2 328.847 3.144 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451876454 458489112 /nfs/dbraw/zinc/48/91/12/458489112.db2.gz FLRLSDCVZWZDMW-SFHVURJKSA-N 1 2 338.455 3.291 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451876454 458489118 /nfs/dbraw/zinc/48/91/18/458489118.db2.gz FLRLSDCVZWZDMW-SFHVURJKSA-N 1 2 338.455 3.291 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1COC ZINC000452033012 458492911 /nfs/dbraw/zinc/49/29/11/458492911.db2.gz YHRAEOSOPQSLTL-HNNXBMFYSA-N 1 2 334.485 3.404 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1COC ZINC000452033012 458492913 /nfs/dbraw/zinc/49/29/13/458492913.db2.gz YHRAEOSOPQSLTL-HNNXBMFYSA-N 1 2 334.485 3.404 20 30 EGEDLO Cc1cc(C)c(CNC(=O)Nc2ncccc2OCCCC#N)c[nH+]1 ZINC000455161928 458586884 /nfs/dbraw/zinc/58/68/84/458586884.db2.gz FPLPXFYOFYCBPI-UHFFFAOYSA-N 1 2 339.399 3.098 20 30 EGEDLO C=CCC1(CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)CCCC1 ZINC000455475505 458600434 /nfs/dbraw/zinc/60/04/34/458600434.db2.gz ITJATXDDFWXMIP-UHFFFAOYSA-N 1 2 342.487 3.045 20 30 EGEDLO Cc1c(C#N)cccc1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000431707715 458609750 /nfs/dbraw/zinc/60/97/50/458609750.db2.gz GGARMDPAPJAFBR-UHFFFAOYSA-N 1 2 340.452 3.278 20 30 EGEDLO N#Cc1c(Br)cccc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000378058850 458615386 /nfs/dbraw/zinc/61/53/86/458615386.db2.gz MSOQQAKKYLMLSJ-LBPRGKRZSA-N 1 2 331.217 3.359 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000494006467 458615570 /nfs/dbraw/zinc/61/55/70/458615570.db2.gz JAJOKUGJXDGZRD-LJQANCHMSA-N 1 2 333.391 3.386 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000494006467 458615578 /nfs/dbraw/zinc/61/55/78/458615578.db2.gz JAJOKUGJXDGZRD-LJQANCHMSA-N 1 2 333.391 3.386 20 30 EGEDLO C[C@@](O)(C1CC[NH+](Cc2ccc(F)cc2C#N)CC1)C(F)(F)F ZINC000546638423 458650190 /nfs/dbraw/zinc/65/01/90/458650190.db2.gz BKBKPYSOQXEJPS-OAHLLOKOSA-N 1 2 330.325 3.223 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432024454 458663556 /nfs/dbraw/zinc/66/35/56/458663556.db2.gz LAKVKPUHUBYMSA-KBXCAEBGSA-N 1 2 349.425 3.500 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432024454 458663563 /nfs/dbraw/zinc/66/35/63/458663563.db2.gz LAKVKPUHUBYMSA-KBXCAEBGSA-N 1 2 349.425 3.500 20 30 EGEDLO CC(C)(C)c1ccc(CCNC(=O)C[N@H+](CCC#N)CC2CC2)cc1 ZINC000471210664 458685283 /nfs/dbraw/zinc/68/52/83/458685283.db2.gz FCQIUWKTRDLAPB-UHFFFAOYSA-N 1 2 341.499 3.268 20 30 EGEDLO CC(C)(C)c1ccc(CCNC(=O)C[N@@H+](CCC#N)CC2CC2)cc1 ZINC000471210664 458685292 /nfs/dbraw/zinc/68/52/92/458685292.db2.gz FCQIUWKTRDLAPB-UHFFFAOYSA-N 1 2 341.499 3.268 20 30 EGEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000439440551 458702311 /nfs/dbraw/zinc/70/23/11/458702311.db2.gz INPJKKUZKKBMLG-SJORKVTESA-N 1 2 333.863 3.433 20 30 EGEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000439440551 458702315 /nfs/dbraw/zinc/70/23/15/458702315.db2.gz INPJKKUZKKBMLG-SJORKVTESA-N 1 2 333.863 3.433 20 30 EGEDLO Cc1[nH+]c2cc(NC(=O)c3ccc(CC#N)cc3)ccc2n1[C@@H](C)CO ZINC000456704791 458757614 /nfs/dbraw/zinc/75/76/14/458757614.db2.gz ICNAXKZGEYYOFJ-ZDUSSCGKSA-N 1 2 348.406 3.216 20 30 EGEDLO Cc1cccn2cc(CC(=O)N[C@H]3CCCc4cc(C#N)ccc43)[nH+]c12 ZINC000514924266 458803813 /nfs/dbraw/zinc/80/38/13/458803813.db2.gz OVDKNVYZEPQNAC-IBGZPJMESA-N 1 2 344.418 3.251 20 30 EGEDLO C=CCCCCNC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000472827464 458810188 /nfs/dbraw/zinc/81/01/88/458810188.db2.gz DTKJQZSIMHPJIR-IBGZPJMESA-N 1 2 345.487 3.024 20 30 EGEDLO Cc1noc([C@@H]([NH2+]CC#Cc2ccccc2Cl)C2CCOCC2)n1 ZINC000551834733 458889538 /nfs/dbraw/zinc/88/95/38/458889538.db2.gz ZXUKYWCPXVZNHU-KRWDZBQOSA-N 1 2 345.830 3.140 20 30 EGEDLO Cc1ccn(Cc2cn3cc(Cl)cc(Cl)c3[nH+]2)c(=O)c1C#N ZINC000576866085 458936454 /nfs/dbraw/zinc/93/64/54/458936454.db2.gz GLQCQYXSAAIEQA-UHFFFAOYSA-N 1 2 333.178 3.031 20 30 EGEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cc(F)c(F)cc1Br ZINC000556798062 459010533 /nfs/dbraw/zinc/01/05/33/459010533.db2.gz PERIEMWHZQPYON-VIFPVBQESA-N 1 2 328.160 3.260 20 30 EGEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccc(CC#N)cc1)C2 ZINC000566976778 459030260 /nfs/dbraw/zinc/03/02/60/459030260.db2.gz NWYGHCKFJODLOS-MRXNPFEDSA-N 1 2 336.439 3.020 20 30 EGEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccc(CC#N)cc1)CC2 ZINC000566976778 459030264 /nfs/dbraw/zinc/03/02/64/459030264.db2.gz NWYGHCKFJODLOS-MRXNPFEDSA-N 1 2 336.439 3.020 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000590262751 459106428 /nfs/dbraw/zinc/10/64/28/459106428.db2.gz OYQVSOODSLBDLP-IBGZPJMESA-N 1 2 329.407 3.306 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)C1CC1 ZINC000557836267 459112850 /nfs/dbraw/zinc/11/28/50/459112850.db2.gz HVKPGAOUFRIRIB-GOSISDBHSA-N 1 2 349.438 3.117 20 30 EGEDLO C=CC[N@@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)Cc1cccc(C#N)c1 ZINC000521091003 459119757 /nfs/dbraw/zinc/11/97/57/459119757.db2.gz BNHHPCVFMHDOMP-MBOZVWFJSA-N 1 2 339.483 3.487 20 30 EGEDLO C=CC[N@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)Cc1cccc(C#N)c1 ZINC000521091003 459119766 /nfs/dbraw/zinc/11/97/66/459119766.db2.gz BNHHPCVFMHDOMP-MBOZVWFJSA-N 1 2 339.483 3.487 20 30 EGEDLO CCc1ccc([C@H](C#N)N(C)C(=O)C2CC[NH+](CC(F)F)CC2)cc1 ZINC000578080472 459143379 /nfs/dbraw/zinc/14/33/79/459143379.db2.gz XVZUNCNAQLIHJA-KRWDZBQOSA-N 1 2 349.425 3.249 20 30 EGEDLO Cc1cccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c1F ZINC000590638742 459168655 /nfs/dbraw/zinc/16/86/55/459168655.db2.gz HCLFRQZHJNJMGC-UHFFFAOYSA-N 1 2 340.402 3.193 20 30 EGEDLO COCC[N@H+](CCC#N)Cc1ccnc2c(Br)cccc12 ZINC000590638930 459168958 /nfs/dbraw/zinc/16/89/58/459168958.db2.gz UZUQGDRTTRLZRL-UHFFFAOYSA-N 1 2 348.244 3.359 20 30 EGEDLO COCC[N@@H+](CCC#N)Cc1ccnc2c(Br)cccc12 ZINC000590638930 459168966 /nfs/dbraw/zinc/16/89/66/459168966.db2.gz UZUQGDRTTRLZRL-UHFFFAOYSA-N 1 2 348.244 3.359 20 30 EGEDLO C=CCn1cc(C[NH2+][C@@H](C)c2sccc2Br)nn1 ZINC000578498268 459211199 /nfs/dbraw/zinc/21/11/99/459211199.db2.gz OHWXBMAGOHLQGM-VIFPVBQESA-N 1 2 327.251 3.139 20 30 EGEDLO COc1ccc(C[N@H+](C)[C@H](C)c2nc(C)no2)cc1OCCCC#N ZINC000568253193 459258212 /nfs/dbraw/zinc/25/82/12/459258212.db2.gz HKTPHVKQMLVYCV-CYBMUJFWSA-N 1 2 344.415 3.262 20 30 EGEDLO COc1ccc(C[N@@H+](C)[C@H](C)c2nc(C)no2)cc1OCCCC#N ZINC000568253193 459258218 /nfs/dbraw/zinc/25/82/18/459258218.db2.gz HKTPHVKQMLVYCV-CYBMUJFWSA-N 1 2 344.415 3.262 20 30 EGEDLO CCOC[C@H]1CCCC[N@@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000590971357 459286310 /nfs/dbraw/zinc/28/63/10/459286310.db2.gz PJMPBAJPXIZEKI-GOSISDBHSA-N 1 2 338.455 3.443 20 30 EGEDLO CCOC[C@H]1CCCC[N@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000590971357 459286314 /nfs/dbraw/zinc/28/63/14/459286314.db2.gz PJMPBAJPXIZEKI-GOSISDBHSA-N 1 2 338.455 3.443 20 30 EGEDLO C=C(C)COc1cc(C[N@H+]2CC[C@@H](C)C[C@H]2C(=O)OC)ccc1OC ZINC000482489183 459311666 /nfs/dbraw/zinc/31/16/66/459311666.db2.gz SWLRETSPFOINON-WBVHZDCISA-N 1 2 347.455 3.424 20 30 EGEDLO C=C(C)COc1cc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(=O)OC)ccc1OC ZINC000482489183 459311671 /nfs/dbraw/zinc/31/16/71/459311671.db2.gz SWLRETSPFOINON-WBVHZDCISA-N 1 2 347.455 3.424 20 30 EGEDLO CC1(C#N)CCN(C(=O)CCn2c3ccccc3[nH+]c2C2CC2)CC1 ZINC000568798344 459346652 /nfs/dbraw/zinc/34/66/52/459346652.db2.gz FFRPYGQRDXDOAZ-UHFFFAOYSA-N 1 2 336.439 3.456 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cnc(N2CCCC2)nc1 ZINC000536670726 459361065 /nfs/dbraw/zinc/36/10/65/459361065.db2.gz ZCOYEDLQYXXXDP-VQTJNVASSA-N 1 2 347.466 3.349 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cnc(N2CCCC2)nc1 ZINC000536670726 459361069 /nfs/dbraw/zinc/36/10/69/459361069.db2.gz ZCOYEDLQYXXXDP-VQTJNVASSA-N 1 2 347.466 3.349 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000595611120 459367674 /nfs/dbraw/zinc/36/76/74/459367674.db2.gz HEAYSZCGGBUHCE-LBPRGKRZSA-N 1 2 325.334 3.270 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000595611120 459367680 /nfs/dbraw/zinc/36/76/80/459367680.db2.gz HEAYSZCGGBUHCE-LBPRGKRZSA-N 1 2 325.334 3.270 20 30 EGEDLO C=CCNC(=O)C[N@H+](Cc1ccccc1Br)CC(C)C ZINC000483531821 459374680 /nfs/dbraw/zinc/37/46/80/459374680.db2.gz NGRGYQCBOQOMNC-UHFFFAOYSA-N 1 2 339.277 3.209 20 30 EGEDLO C=CCNC(=O)C[N@@H+](Cc1ccccc1Br)CC(C)C ZINC000483531821 459374682 /nfs/dbraw/zinc/37/46/82/459374682.db2.gz NGRGYQCBOQOMNC-UHFFFAOYSA-N 1 2 339.277 3.209 20 30 EGEDLO C[C@H](CO)[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000595671406 459390903 /nfs/dbraw/zinc/39/09/03/459390903.db2.gz FVVUHVLRJKHMGX-WBMJQRKESA-N 1 2 337.261 3.304 20 30 EGEDLO C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000595671406 459390908 /nfs/dbraw/zinc/39/09/08/459390908.db2.gz FVVUHVLRJKHMGX-WBMJQRKESA-N 1 2 337.261 3.304 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595784547 459439109 /nfs/dbraw/zinc/43/91/09/459439109.db2.gz BGCRXBWFZIGIJL-QRVBRYPASA-N 1 2 342.439 3.053 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595784547 459439113 /nfs/dbraw/zinc/43/91/13/459439113.db2.gz BGCRXBWFZIGIJL-QRVBRYPASA-N 1 2 342.439 3.053 20 30 EGEDLO Cc1ccc(-n2c[nH+]c3c2CCN(c2nc(C)ccc2C#N)C3)cc1 ZINC000561341258 459444797 /nfs/dbraw/zinc/44/47/97/459444797.db2.gz FROZYMIBHDIZKF-UHFFFAOYSA-N 1 2 329.407 3.319 20 30 EGEDLO N#CCCC1CC[NH+]([C@H]2CCN(c3c(F)cccc3F)C2=O)CC1 ZINC000592135527 459532253 /nfs/dbraw/zinc/53/22/53/459532253.db2.gz SHAXDRQVTOWZHY-INIZCTEOSA-N 1 2 333.382 3.086 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NC1CC1 ZINC000592141755 459534369 /nfs/dbraw/zinc/53/43/69/459534369.db2.gz DEKBAICDKMJIJR-NRFANRHFSA-N 1 2 345.446 3.072 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@H+]1Cc2ccccc2C[C@H]1C(=O)NC1CC1 ZINC000592141755 459534374 /nfs/dbraw/zinc/53/43/74/459534374.db2.gz DEKBAICDKMJIJR-NRFANRHFSA-N 1 2 345.446 3.072 20 30 EGEDLO Cc1cc(C[NH+]2CCN([C@@H](C)c3nccs3)CC2)ccc1C#N ZINC000488307349 459542861 /nfs/dbraw/zinc/54/28/61/459542861.db2.gz LBXLDVYJGPPUIW-HNNXBMFYSA-N 1 2 326.469 3.202 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000497918856 459562036 /nfs/dbraw/zinc/56/20/36/459562036.db2.gz SUKSUBHHKAJPIZ-GOSISDBHSA-N 1 2 344.499 3.435 20 30 EGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000489428414 459563431 /nfs/dbraw/zinc/56/34/31/459563431.db2.gz FCMHDPIPHXXMAK-CYBMUJFWSA-N 1 2 337.349 3.222 20 30 EGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000489428414 459563437 /nfs/dbraw/zinc/56/34/37/459563437.db2.gz FCMHDPIPHXXMAK-CYBMUJFWSA-N 1 2 337.349 3.222 20 30 EGEDLO CC[C@H](CC#N)[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000572659643 459582562 /nfs/dbraw/zinc/58/25/62/459582562.db2.gz LOFABRUZERSMSN-YGRLFVJLSA-N 1 2 326.227 3.381 20 30 EGEDLO COc1ccc2c(c1)C[C@H](C)[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@@H]2C ZINC000542881060 459607242 /nfs/dbraw/zinc/60/72/42/459607242.db2.gz LLXNJIMJXJZUDD-BXTJHSDWSA-N 1 2 343.471 3.057 20 30 EGEDLO COc1ccc2c(c1)C[C@H](C)[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@@H]2C ZINC000542881060 459607246 /nfs/dbraw/zinc/60/72/46/459607246.db2.gz LLXNJIMJXJZUDD-BXTJHSDWSA-N 1 2 343.471 3.057 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000491285021 459612679 /nfs/dbraw/zinc/61/26/79/459612679.db2.gz RNWGAFLLSCGZQS-UHFFFAOYSA-N 1 2 343.814 3.474 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000491285021 459612682 /nfs/dbraw/zinc/61/26/82/459612682.db2.gz RNWGAFLLSCGZQS-UHFFFAOYSA-N 1 2 343.814 3.474 20 30 EGEDLO C#C[C@H](NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21)c1ccc(Cl)cc1 ZINC000491295845 459614013 /nfs/dbraw/zinc/61/40/13/459614013.db2.gz JFDWWXBLTUFBFX-TUKIKUTGSA-N 1 2 328.803 3.216 20 30 EGEDLO C#CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000491691684 459654741 /nfs/dbraw/zinc/65/47/41/459654741.db2.gz HAJYISYEVVBMHT-UHFFFAOYSA-N 1 2 330.737 3.395 20 30 EGEDLO C#CC[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000491691684 459654744 /nfs/dbraw/zinc/65/47/44/459654744.db2.gz HAJYISYEVVBMHT-UHFFFAOYSA-N 1 2 330.737 3.395 20 30 EGEDLO C[C@H](c1c(F)cccc1F)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000584149615 459665262 /nfs/dbraw/zinc/66/52/62/459665262.db2.gz YLMLAOUXRAJPHK-CYBMUJFWSA-N 1 2 328.366 3.115 20 30 EGEDLO C#C[C@@H](CCC)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000491778355 459672062 /nfs/dbraw/zinc/67/20/62/459672062.db2.gz IRPPMPGOFMAIPB-JKSUJKDBSA-N 1 2 344.846 3.264 20 30 EGEDLO C#C[C@H](NC(=O)NCc1[nH+]ccn1CC(C)C)c1ccc(Cl)cc1 ZINC000491809757 459677760 /nfs/dbraw/zinc/67/77/60/459677760.db2.gz YRZZKIFFPPIXPM-INIZCTEOSA-N 1 2 344.846 3.366 20 30 EGEDLO CC1(C)C[N@H+](CC(=O)N(CCC#N)c2ccccc2)[C@@H]1c1ccncc1 ZINC000596589834 459687582 /nfs/dbraw/zinc/68/75/82/459687582.db2.gz BLMNNWJWBDTCAM-HXUWFJFHSA-N 1 2 348.450 3.411 20 30 EGEDLO CC1(C)C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)[C@@H]1c1ccncc1 ZINC000596589834 459687588 /nfs/dbraw/zinc/68/75/88/459687588.db2.gz BLMNNWJWBDTCAM-HXUWFJFHSA-N 1 2 348.450 3.411 20 30 EGEDLO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]CC2(C#N)CCC2)cc1 ZINC000563006752 459693305 /nfs/dbraw/zinc/69/33/05/459693305.db2.gz CMHHGAGOIFMXTA-UHFFFAOYSA-N 1 2 334.485 3.041 20 30 EGEDLO CCn1cc[nH+]c1/C=C\C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000492490599 459706966 /nfs/dbraw/zinc/70/69/66/459706966.db2.gz IDEUCTSATVBKNK-KTKRTIGZSA-N 1 2 347.340 3.103 20 30 EGEDLO N#C[C@@]1(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC12CCCC2 ZINC000573772512 459730942 /nfs/dbraw/zinc/73/09/42/459730942.db2.gz ORZZOQUSEYTOEY-HXUWFJFHSA-N 1 2 334.423 3.022 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000563365091 459764225 /nfs/dbraw/zinc/76/42/25/459764225.db2.gz ACXORXPDAUXATG-AWEZNQCLSA-N 1 2 328.441 3.339 20 30 EGEDLO N#Cc1sccc1N1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000597184016 459867570 /nfs/dbraw/zinc/86/75/70/459867570.db2.gz QQNLWMNGKRJADU-UHFFFAOYSA-N 1 2 337.448 3.218 20 30 EGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000597198609 459873206 /nfs/dbraw/zinc/87/32/06/459873206.db2.gz NJSXVRHRPXSEOF-JTNHKYCSSA-N 1 2 349.221 3.211 20 30 EGEDLO N#CCn1c(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc2ccccc21 ZINC000609168972 459917413 /nfs/dbraw/zinc/91/74/13/459917413.db2.gz JNGVTGQVXODLNA-INIZCTEOSA-N 1 2 333.395 3.255 20 30 EGEDLO N#CCn1c(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc2ccccc21 ZINC000609168973 459918089 /nfs/dbraw/zinc/91/80/89/459918089.db2.gz JNGVTGQVXODLNA-MRXNPFEDSA-N 1 2 333.395 3.255 20 30 EGEDLO CC[C@@H](CC#N)[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000575134739 459935196 /nfs/dbraw/zinc/93/51/96/459935196.db2.gz HOAQNBKGQAHEEY-AAEUAGOBSA-N 1 2 326.227 3.381 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)NCC(C)(C)CCC#N ZINC000588255169 459939458 /nfs/dbraw/zinc/93/94/58/459939458.db2.gz KRIOJOPYJDASPJ-UHFFFAOYSA-N 1 2 341.459 3.364 20 30 EGEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000598595601 459957338 /nfs/dbraw/zinc/95/73/38/459957338.db2.gz KRUXRKCSRRHFFH-ZDUSSCGKSA-N 1 2 331.847 3.480 20 30 EGEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000598595601 459957346 /nfs/dbraw/zinc/95/73/46/459957346.db2.gz KRUXRKCSRRHFFH-ZDUSSCGKSA-N 1 2 331.847 3.480 20 30 EGEDLO CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)[nH]1 ZINC000602487279 459964964 /nfs/dbraw/zinc/96/49/64/459964964.db2.gz WLMATKHDDHOIIE-PKOBYXMFSA-N 1 2 337.423 3.463 20 30 EGEDLO CCOC(=O)c1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)[nH]1 ZINC000602487279 459964969 /nfs/dbraw/zinc/96/49/69/459964969.db2.gz WLMATKHDDHOIIE-PKOBYXMFSA-N 1 2 337.423 3.463 20 30 EGEDLO CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000609676565 460007136 /nfs/dbraw/zinc/00/71/36/460007136.db2.gz PQWFQOUALLAZTB-AUUYWEPGSA-N 1 2 337.423 3.223 20 30 EGEDLO COC(=O)[C@@H]([NH2+]C[C@@H](C)CCC#N)c1ccc(Br)cc1 ZINC000602624797 460030113 /nfs/dbraw/zinc/03/01/13/460030113.db2.gz RUTZZGFUNNLZDA-FZMZJTMJSA-N 1 2 339.233 3.193 20 30 EGEDLO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3ccc(C#N)cn3)n2)cc1 ZINC000593969779 460033385 /nfs/dbraw/zinc/03/33/85/460033385.db2.gz FTEXRDHMEYAQJT-ZDUSSCGKSA-N 1 2 333.395 3.416 20 30 EGEDLO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602633453 460034165 /nfs/dbraw/zinc/03/41/65/460034165.db2.gz MCQJAWCZFZFLKC-NRFANRHFSA-N 1 2 349.434 3.094 20 30 EGEDLO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602633453 460034167 /nfs/dbraw/zinc/03/41/67/460034167.db2.gz MCQJAWCZFZFLKC-NRFANRHFSA-N 1 2 349.434 3.094 20 30 EGEDLO N#Cc1cc(C(=O)NCc2ccc[nH+]c2N2CCCC2)ccc1Cl ZINC000597939816 460120331 /nfs/dbraw/zinc/12/03/31/460120331.db2.gz CDJLFAPAJKNWSB-UHFFFAOYSA-N 1 2 340.814 3.137 20 30 EGEDLO N#Cc1ccc2c(c1)CC[C@@H]2Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000618693761 460131090 /nfs/dbraw/zinc/13/10/90/460131090.db2.gz ORSICIUWPBNPEM-INIZCTEOSA-N 1 2 337.452 3.001 20 30 EGEDLO N#Cc1ccc2c(c1)CC[C@@H]2Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000618693761 460131099 /nfs/dbraw/zinc/13/10/99/460131099.db2.gz ORSICIUWPBNPEM-INIZCTEOSA-N 1 2 337.452 3.001 20 30 EGEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000602868205 460165413 /nfs/dbraw/zinc/16/54/13/460165413.db2.gz HVGYLNJEZHFJDN-KUHUBIRLSA-N 1 2 339.464 3.114 20 30 EGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]32)c1C#N ZINC000610585661 460190866 /nfs/dbraw/zinc/19/08/66/460190866.db2.gz ZNUCKOKBPPXZEQ-QFBILLFUSA-N 1 2 348.450 3.389 20 30 EGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]32)c1C#N ZINC000610585661 460190873 /nfs/dbraw/zinc/19/08/73/460190873.db2.gz ZNUCKOKBPPXZEQ-QFBILLFUSA-N 1 2 348.450 3.389 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000602997585 460216560 /nfs/dbraw/zinc/21/65/60/460216560.db2.gz NGOJABSLLFLJPJ-IKGGRYGDSA-N 1 2 349.272 3.446 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000602997585 460216564 /nfs/dbraw/zinc/21/65/64/460216564.db2.gz NGOJABSLLFLJPJ-IKGGRYGDSA-N 1 2 349.272 3.446 20 30 EGEDLO CC[N@@H+](Cc1c(F)cccc1F)C[C@H](O)COc1ccccc1C#N ZINC000599280165 460216931 /nfs/dbraw/zinc/21/69/31/460216931.db2.gz XRJNJMLEVMQGDC-HNNXBMFYSA-N 1 2 346.377 3.098 20 30 EGEDLO CC[N@H+](Cc1c(F)cccc1F)C[C@H](O)COc1ccccc1C#N ZINC000599280165 460216938 /nfs/dbraw/zinc/21/69/38/460216938.db2.gz XRJNJMLEVMQGDC-HNNXBMFYSA-N 1 2 346.377 3.098 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c(C#N)c1C ZINC000599514567 460266193 /nfs/dbraw/zinc/26/61/93/460266193.db2.gz YASXANXTWWQDEK-UMNHJUIQSA-N 1 2 339.386 3.318 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c(C#N)c1C ZINC000599514567 460266196 /nfs/dbraw/zinc/26/61/96/460266196.db2.gz YASXANXTWWQDEK-UMNHJUIQSA-N 1 2 339.386 3.318 20 30 EGEDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)Cc2ccccc21 ZINC000599684292 460310307 /nfs/dbraw/zinc/31/03/07/460310307.db2.gz VVVNXJBTNXNZBY-KRWDZBQOSA-N 1 2 340.810 3.484 20 30 EGEDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)Cc2ccccc21 ZINC000599684292 460310310 /nfs/dbraw/zinc/31/03/10/460310310.db2.gz VVVNXJBTNXNZBY-KRWDZBQOSA-N 1 2 340.810 3.484 20 30 EGEDLO Cc1nn(-c2ccccc2)c(CN2CCC[C@H](n3cc[nH+]c3)C2)c1C#N ZINC000611346919 460342020 /nfs/dbraw/zinc/34/20/20/460342020.db2.gz RCJFSZFMYLLRLM-SFHVURJKSA-N 1 2 346.438 3.086 20 30 EGEDLO N#C[C@@]1(F)CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000615535901 460343434 /nfs/dbraw/zinc/34/34/34/460343434.db2.gz ZIPUNFYSNDCUHR-KRWDZBQOSA-N 1 2 326.331 3.343 20 30 EGEDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000611555324 460396984 /nfs/dbraw/zinc/39/69/84/460396984.db2.gz WWTAORNTHVMTMK-MWLCHTKSSA-N 1 2 331.363 3.221 20 30 EGEDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CC(=O)Nc1sccc1C#N ZINC000611555324 460396990 /nfs/dbraw/zinc/39/69/90/460396990.db2.gz WWTAORNTHVMTMK-MWLCHTKSSA-N 1 2 331.363 3.221 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CCCCC[C@@H]2C(=O)OC)cc1OC ZINC000611606701 460414371 /nfs/dbraw/zinc/41/43/71/460414371.db2.gz MPCAXEQHDTXXGW-MRXNPFEDSA-N 1 2 333.428 3.178 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CCCCC[C@@H]2C(=O)OC)cc1OC ZINC000611606701 460414376 /nfs/dbraw/zinc/41/43/76/460414376.db2.gz MPCAXEQHDTXXGW-MRXNPFEDSA-N 1 2 333.428 3.178 20 30 EGEDLO N#Cc1ccc(Oc2ccc(NC(=O)CCCn3cc[nH+]c3)cn2)cc1 ZINC000604528277 460440923 /nfs/dbraw/zinc/44/09/23/460440923.db2.gz MPZJRGLQVDNOKT-UHFFFAOYSA-N 1 2 347.378 3.361 20 30 EGEDLO CCOC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CCc1ccc(C#N)cc1 ZINC000600592751 460536553 /nfs/dbraw/zinc/53/65/53/460536553.db2.gz GROMNBXOAUHVIJ-IBGZPJMESA-N 1 2 340.398 3.004 20 30 EGEDLO C=CCCC(C)(C)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000663534102 461693251 /nfs/dbraw/zinc/69/32/51/461693251.db2.gz LQMVURDLVZFQDQ-UHFFFAOYSA-N 1 2 326.444 3.475 20 30 EGEDLO CC(=O)c1ccccc1NC(=O)CCC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000653612899 461760326 /nfs/dbraw/zinc/76/03/26/461760326.db2.gz LMPCCFWTNUYNQF-IBGZPJMESA-N 1 2 327.428 3.234 20 30 EGEDLO CC(=O)c1ccccc1NC(=O)CCC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000653612899 461760330 /nfs/dbraw/zinc/76/03/30/461760330.db2.gz LMPCCFWTNUYNQF-IBGZPJMESA-N 1 2 327.428 3.234 20 30 EGEDLO C=CCCn1cc(C[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)nn1 ZINC000657399922 462098360 /nfs/dbraw/zinc/09/83/60/462098360.db2.gz MZLOZUXLKWNNOX-INIZCTEOSA-N 1 2 330.407 3.385 20 30 EGEDLO C=CC[N@H+](Cc1nc(-c2ccc(C)c(OC)c2)no1)[C@@H](C)COC ZINC000661242567 462167405 /nfs/dbraw/zinc/16/74/05/462167405.db2.gz QOJYFFHDAVWDOC-AWEZNQCLSA-N 1 2 331.416 3.077 20 30 EGEDLO C=CC[N@@H+](Cc1nc(-c2ccc(C)c(OC)c2)no1)[C@@H](C)COC ZINC000661242567 462167415 /nfs/dbraw/zinc/16/74/15/462167415.db2.gz QOJYFFHDAVWDOC-AWEZNQCLSA-N 1 2 331.416 3.077 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)[C@H](C)COC ZINC000661244669 462168794 /nfs/dbraw/zinc/16/87/94/462168794.db2.gz XGJIRCSTPMRSOC-LLVKDONJSA-N 1 2 331.243 3.455 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)[C@H](C)COC ZINC000661244669 462168798 /nfs/dbraw/zinc/16/87/98/462168798.db2.gz XGJIRCSTPMRSOC-LLVKDONJSA-N 1 2 331.243 3.455 20 30 EGEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000665404304 462437685 /nfs/dbraw/zinc/43/76/85/462437685.db2.gz DACAEFPSKWRQAG-LBPRGKRZSA-N 1 2 335.860 3.375 20 30 EGEDLO COc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)c([N+](=O)[O-])cc1OC ZINC000131179657 533787567 /nfs/dbraw/zinc/78/75/67/533787567.db2.gz HNOFBUHPSFREAZ-UHFFFAOYSA-N 1 2 341.367 3.116 20 30 EGEDLO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)c([N+](=O)[O-])cc1OC ZINC000131179657 533787572 /nfs/dbraw/zinc/78/75/72/533787572.db2.gz HNOFBUHPSFREAZ-UHFFFAOYSA-N 1 2 341.367 3.116 20 30 EGEDLO CC#CCCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000155041124 526342254 /nfs/dbraw/zinc/34/22/54/526342254.db2.gz LQZHWQZZIFHVQS-UHFFFAOYSA-N 1 2 326.469 3.369 20 30 EGEDLO C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000153281570 526355793 /nfs/dbraw/zinc/35/57/93/526355793.db2.gz WLGLTFGGDQZVPM-GOSISDBHSA-N 1 2 336.439 3.058 20 30 EGEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(C#N)s1 ZINC000179557683 528019992 /nfs/dbraw/zinc/01/99/92/528019992.db2.gz BWSAMWYBPTYRFY-KRWDZBQOSA-N 1 2 328.437 3.226 20 30 EGEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000179557683 528019997 /nfs/dbraw/zinc/01/99/97/528019997.db2.gz BWSAMWYBPTYRFY-KRWDZBQOSA-N 1 2 328.437 3.226 20 30 EGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000191888027 528860672 /nfs/dbraw/zinc/86/06/72/528860672.db2.gz BXDNMROVUKYASZ-UHFFFAOYSA-N 1 2 343.406 3.400 20 30 EGEDLO O=C(NCc1cn2ccccc2[nH+]1)N1CCC(c2nccs2)CC1 ZINC000328774027 547484721 /nfs/dbraw/zinc/48/47/21/547484721.db2.gz RWNRNMTZHNIPTG-UHFFFAOYSA-N 1 2 341.440 3.084 20 30 EGEDLO N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000330058296 547512248 /nfs/dbraw/zinc/51/22/48/547512248.db2.gz YSIJENGPFAHQSO-ULQDDVLXSA-N 1 2 329.469 3.425 20 30 EGEDLO N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000333576740 547538364 /nfs/dbraw/zinc/53/83/64/547538364.db2.gz JLCWZXSICHWENA-MAZHCROVSA-N 1 2 349.381 3.065 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000680999563 549939928 /nfs/dbraw/zinc/93/99/28/549939928.db2.gz IREXMYCLQQYJFP-CVEARBPZSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000680999563 549939931 /nfs/dbraw/zinc/93/99/31/549939931.db2.gz IREXMYCLQQYJFP-CVEARBPZSA-N 1 2 333.476 3.433 20 30 EGEDLO Cc1ccc(N(CCC#N)C(=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000726940324 574615970 /nfs/dbraw/zinc/61/59/70/574615970.db2.gz QUQVYUXAALIXED-UHFFFAOYSA-N 1 2 332.407 3.441 20 30 EGEDLO CC(=NNCC[NH+]1CCCCC1)c1ccc(Cl)c(Cl)c1O ZINC000727651399 574681280 /nfs/dbraw/zinc/68/12/80/574681280.db2.gz WTZGGGNRXRTTKA-UHFFFAOYSA-N 1 2 330.259 3.499 20 30 EGEDLO C=CCn1c(C)nn(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c1=S ZINC000729851609 574890689 /nfs/dbraw/zinc/89/06/89/574890689.db2.gz KBBUDVRXWPSNFY-QGZVFWFLSA-N 1 2 344.484 3.330 20 30 EGEDLO C=CCn1c(C)nn(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)c1=S ZINC000729851609 574890691 /nfs/dbraw/zinc/89/06/91/574890691.db2.gz KBBUDVRXWPSNFY-QGZVFWFLSA-N 1 2 344.484 3.330 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(COc2ccccc2)c1 ZINC000730279707 574965550 /nfs/dbraw/zinc/96/55/50/574965550.db2.gz RELUQQHKCYAVHG-FQEVSTJZSA-N 1 2 334.419 3.302 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(COc2ccccc2)c1 ZINC000730279707 574965551 /nfs/dbraw/zinc/96/55/51/574965551.db2.gz RELUQQHKCYAVHG-FQEVSTJZSA-N 1 2 334.419 3.302 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Nc2nc(C)cs2)cc1 ZINC000732088258 575236350 /nfs/dbraw/zinc/23/63/50/575236350.db2.gz LOARMVQQUUJELT-INIZCTEOSA-N 1 2 340.452 3.231 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Nc2nc(C)cs2)cc1 ZINC000732088258 575236354 /nfs/dbraw/zinc/23/63/54/575236354.db2.gz LOARMVQQUUJELT-INIZCTEOSA-N 1 2 340.452 3.231 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000732209274 575245164 /nfs/dbraw/zinc/24/51/64/575245164.db2.gz JMTDJIPKMTXAOY-MBOZVWFJSA-N 1 2 330.472 3.262 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000732209274 575245167 /nfs/dbraw/zinc/24/51/67/575245167.db2.gz JMTDJIPKMTXAOY-MBOZVWFJSA-N 1 2 330.472 3.262 20 30 EGEDLO Fc1cc(F)c(N[NH+]=Cc2ccc(N3CCOCC3)cc2)cc1F ZINC000734302923 575464004 /nfs/dbraw/zinc/46/40/04/575464004.db2.gz VOCTXHUEAFHINQ-UHFFFAOYSA-N 1 2 335.329 3.387 20 30 EGEDLO C#CCCOc1ccc(C[NH2+][C@H](CO)c2c(F)cccc2F)cc1 ZINC000734847659 575560333 /nfs/dbraw/zinc/56/03/33/575560333.db2.gz SWQBIVJJGFNAEV-GOSISDBHSA-N 1 2 331.362 3.190 20 30 EGEDLO C[C@H](C(=O)OCc1ccc(C#N)cc1F)[N@@H+]1CCc2ccccc2C1 ZINC000735958372 575741284 /nfs/dbraw/zinc/74/12/84/575741284.db2.gz YITUWZGDBZKDPW-CQSZACIVSA-N 1 2 338.382 3.187 20 30 EGEDLO C[C@H](C(=O)OCc1ccc(C#N)cc1F)[N@H+]1CCc2ccccc2C1 ZINC000735958372 575741285 /nfs/dbraw/zinc/74/12/85/575741285.db2.gz YITUWZGDBZKDPW-CQSZACIVSA-N 1 2 338.382 3.187 20 30 EGEDLO C=CC[N@H+](Cc1ccccc1)CN1C(=O)C[C@@](C)(CC(C)C)C1=O ZINC000740853816 576629297 /nfs/dbraw/zinc/62/92/97/576629297.db2.gz GJEJJWYUSYEELH-HXUWFJFHSA-N 1 2 328.456 3.443 20 30 EGEDLO C=CC[N@@H+](Cc1ccccc1)CN1C(=O)C[C@@](C)(CC(C)C)C1=O ZINC000740853816 576629298 /nfs/dbraw/zinc/62/92/98/576629298.db2.gz GJEJJWYUSYEELH-HXUWFJFHSA-N 1 2 328.456 3.443 20 30 EGEDLO C=CCNC(=S)N1CC[NH+]([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000741870994 576729553 /nfs/dbraw/zinc/72/95/53/576729553.db2.gz UTFSTICZOOKFJR-INIZCTEOSA-N 1 2 339.455 3.094 20 30 EGEDLO COCCn1cc(C=NNc2cc[nH+]c3cc(Cl)ccc23)cn1 ZINC000743420322 576808949 /nfs/dbraw/zinc/80/89/49/576808949.db2.gz CUKCOMPLXZETCJ-UHFFFAOYSA-N 1 2 329.791 3.177 20 30 EGEDLO NC(=[NH+]OCc1cccc(C(=O)NCc2ccco2)c1)c1ccccc1 ZINC000055044157 1291774178 /nfs/dbraw/zinc/77/41/78/1291774178.db2.gz MXMAMQQSQWFHTK-UHFFFAOYSA-N 1 2 349.390 3.047 20 30 EGEDLO Cc1nsc(N2CC[NH+](C[C@]3(C)CC3(Cl)Cl)CC2)c1C#N ZINC000829952700 1292645981 /nfs/dbraw/zinc/64/59/81/1292645981.db2.gz OCNBADDMWPQBHP-ZDUSSCGKSA-N 1 2 345.299 3.029 20 30 EGEDLO C[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000089964425 1292781664 /nfs/dbraw/zinc/78/16/64/1292781664.db2.gz JZKAHYLQINAAFR-WMLDXEAASA-N 1 2 344.418 3.186 20 30 EGEDLO C[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1)[N@H+]1CCc2ccccc2C1 ZINC000089964425 1292781669 /nfs/dbraw/zinc/78/16/69/1292781669.db2.gz JZKAHYLQINAAFR-WMLDXEAASA-N 1 2 344.418 3.186 20 30 EGEDLO COc1ccc(Br)cc1CO[NH+]=C(N)Cc1ccccc1 ZINC000108445916 1293080657 /nfs/dbraw/zinc/08/06/57/1293080657.db2.gz UETSGTUWIJCWFG-UHFFFAOYSA-N 1 2 349.228 3.489 20 30 EGEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000113249059 1293145854 /nfs/dbraw/zinc/14/58/54/1293145854.db2.gz JFGCTWJNIJIDKF-LLVKDONJSA-N 1 2 347.802 3.013 20 30 EGEDLO COc1ccc(CC(N)=[NH+]OCc2csc(C3CC3)n2)cc1OC ZINC000153181421 1294002451 /nfs/dbraw/zinc/00/24/51/1294002451.db2.gz CQPAOPUTKXCAKX-UHFFFAOYSA-N 1 2 347.440 3.069 20 30 EGEDLO C=CC[N@H+](Cc1ccccc1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172894613 1294448303 /nfs/dbraw/zinc/44/83/03/1294448303.db2.gz AQKZREWDDWRLSY-UHFFFAOYSA-N 1 2 349.394 3.499 20 30 EGEDLO C=CC[N@@H+](Cc1ccccc1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172894613 1294448307 /nfs/dbraw/zinc/44/83/07/1294448307.db2.gz AQKZREWDDWRLSY-UHFFFAOYSA-N 1 2 349.394 3.499 20 30 EGEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3cccc(C#N)c3)CC2)cc1 ZINC000174193587 1294485457 /nfs/dbraw/zinc/48/54/57/1294485457.db2.gz KMOXCLPIZFNBKT-UHFFFAOYSA-N 1 2 348.450 3.023 20 30 EGEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000180358804 1294883417 /nfs/dbraw/zinc/88/34/17/1294883417.db2.gz PRFNEQWCEKLAEV-LBPRGKRZSA-N 1 2 329.356 3.310 20 30 EGEDLO CCCCCCCS(=O)(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000195194382 1296045655 /nfs/dbraw/zinc/04/56/55/1296045655.db2.gz SWCPFUGLMILHMF-UHFFFAOYSA-N 1 2 342.505 3.439 20 30 EGEDLO COC(=O)c1ccc(CO[NH+]=C(N)Cc2ccccc2Cl)cc1 ZINC000303024112 1296812632 /nfs/dbraw/zinc/81/26/32/1296812632.db2.gz VHGZZKPKDIBPIA-UHFFFAOYSA-N 1 2 332.787 3.158 20 30 EGEDLO COc1cc(NC(C)=O)ccc1C(C)=NNc1cc[nH+]c2ccccc12 ZINC000747751114 1298853703 /nfs/dbraw/zinc/85/37/03/1298853703.db2.gz HVWSZQSWYNNPHD-UHFFFAOYSA-N 1 2 348.406 3.460 20 30 EGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cnn(-c2ccccn2)c1C ZINC000748250352 1298968519 /nfs/dbraw/zinc/96/85/19/1298968519.db2.gz BDAZDNBMSDJQQC-UHFFFAOYSA-N 1 2 342.406 3.382 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[NH+]2C[C@@H](C)[C@H](C)C2)c1=S ZINC000751926509 1299655609 /nfs/dbraw/zinc/65/56/09/1299655609.db2.gz UANUBNJBWURYAD-ZIAGYGMSSA-N 1 2 329.473 3.207 20 30 EGEDLO N#Cc1ccc(CO[NH+]=C(N)Cc2cccs2)c(OC(F)F)c1 ZINC000753118939 1299876406 /nfs/dbraw/zinc/87/64/06/1299876406.db2.gz MWIMMECAQZLQMM-UHFFFAOYSA-N 1 2 337.351 3.462 20 30 EGEDLO C=C(C)[C@@H](CC(=O)Nc1nc(C[NH+](CC)CC)cs1)OCC ZINC000755628918 1300369687 /nfs/dbraw/zinc/36/96/87/1300369687.db2.gz YGRARWAFUONXRJ-CQSZACIVSA-N 1 2 325.478 3.295 20 30 EGEDLO COc1cc(F)cc(N[NH+]=Cc2ccccc2N2CCOCC2)c1 ZINC000759213123 1301043609 /nfs/dbraw/zinc/04/36/09/1301043609.db2.gz UVQHPMASLRLSCF-UHFFFAOYSA-N 1 2 329.375 3.117 20 30 EGEDLO CC(C)[C@H]([NH2+]CCCOc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000761188450 1301416755 /nfs/dbraw/zinc/41/67/55/1301416755.db2.gz NBQJNLXEXJYRIK-KRWDZBQOSA-N 1 2 332.444 3.283 20 30 EGEDLO COc1cc(C(=O)/C=C/c2c[nH+]c3cccc(C)n23)c(OC)cc1O ZINC000763105575 1301825477 /nfs/dbraw/zinc/82/54/77/1301825477.db2.gz MSNGRSSNUKOSMD-BQYQJAHWSA-N 1 2 338.363 3.262 20 30 EGEDLO C#CC[N@@H+](CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000763950082 1301987433 /nfs/dbraw/zinc/98/74/33/1301987433.db2.gz QETONZQMYZQPBE-UHFFFAOYSA-N 1 2 325.239 3.049 20 30 EGEDLO C#CC[N@H+](CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000763950082 1301987441 /nfs/dbraw/zinc/98/74/41/1301987441.db2.gz QETONZQMYZQPBE-UHFFFAOYSA-N 1 2 325.239 3.049 20 30 EGEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(OC)c(OC[C@H](C)CC)cc1[N+](=O)[O-] ZINC000769975868 1303200644 /nfs/dbraw/zinc/20/06/44/1303200644.db2.gz MXBPDWHDZMKNMX-ZIAGYGMSSA-N 1 2 334.416 3.482 20 30 EGEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(OC)c(OC[C@H](C)CC)cc1[N+](=O)[O-] ZINC000769975868 1303200651 /nfs/dbraw/zinc/20/06/51/1303200651.db2.gz MXBPDWHDZMKNMX-ZIAGYGMSSA-N 1 2 334.416 3.482 20 30 EGEDLO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2nnc(-c3ccccc3)[nH]2)cc1 ZINC000774816225 1303862087 /nfs/dbraw/zinc/86/20/87/1303862087.db2.gz VLRLDTJLOKUKKS-CQSZACIVSA-N 1 2 333.395 3.052 20 30 EGEDLO C#CC[C@@H]([NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1)c1ccccc1 ZINC000775405463 1303958198 /nfs/dbraw/zinc/95/81/98/1303958198.db2.gz XEGPAGHZAMRRMA-MRXNPFEDSA-N 1 2 347.374 3.320 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1c(C)nn(-c2ccccc2)c1Cl)[C@H]1CCCO1 ZINC000775793129 1304038438 /nfs/dbraw/zinc/03/84/38/1304038438.db2.gz VKOGTILFICAEDE-IAGOWNOFSA-N 1 2 329.831 3.105 20 30 EGEDLO CC[N@H+](Cc1cccs1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000779887047 1304618271 /nfs/dbraw/zinc/61/82/71/1304618271.db2.gz GFDGNAFEPGJLNX-UHFFFAOYSA-N 1 2 338.436 3.004 20 30 EGEDLO CC[N@@H+](Cc1cccs1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000779887047 1304618275 /nfs/dbraw/zinc/61/82/75/1304618275.db2.gz GFDGNAFEPGJLNX-UHFFFAOYSA-N 1 2 338.436 3.004 20 30 EGEDLO C=CCS(=O)(=O)CCNc1cc(C(C)(C)C)[nH+]c(C(C)(C)C)n1 ZINC000782963808 1305031413 /nfs/dbraw/zinc/03/14/13/1305031413.db2.gz QGSSWLZKWPJEQQ-UHFFFAOYSA-N 1 2 339.505 3.084 20 30 EGEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1nc2ccc(Cl)cc2n1C ZINC000783299452 1305079369 /nfs/dbraw/zinc/07/93/69/1305079369.db2.gz CJECTGUPQIWHAU-LLVKDONJSA-N 1 2 325.803 3.344 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccc4c(c3)CCCO4)CCO2)c1 ZINC000892245259 1305294110 /nfs/dbraw/zinc/29/41/10/1305294110.db2.gz TVIOFZHVGOJDAH-NRFANRHFSA-N 1 2 334.419 3.457 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccc4c(c3)CCCO4)CCO2)c1 ZINC000892245259 1305294112 /nfs/dbraw/zinc/29/41/12/1305294112.db2.gz TVIOFZHVGOJDAH-NRFANRHFSA-N 1 2 334.419 3.457 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2F)nc1 ZINC000787679929 1305775877 /nfs/dbraw/zinc/77/58/77/1305775877.db2.gz CIGDWJIBGGHPBU-INIZCTEOSA-N 1 2 339.370 3.049 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2F)nc1 ZINC000787679929 1305775885 /nfs/dbraw/zinc/77/58/85/1305775885.db2.gz CIGDWJIBGGHPBU-INIZCTEOSA-N 1 2 339.370 3.049 20 30 EGEDLO Cn1cc[nH+]c1NN=Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000790300499 1306293861 /nfs/dbraw/zinc/29/38/61/1306293861.db2.gz USKRFPUVUUYFEG-UHFFFAOYSA-N 1 2 341.802 3.494 20 30 EGEDLO CCOc1cc(C=NNc2[nH+]ccn2C)ccc1OCC(F)(F)F ZINC000790305162 1306294932 /nfs/dbraw/zinc/29/49/32/1306294932.db2.gz BIZYBLBKVXNOLZ-UHFFFAOYSA-N 1 2 342.321 3.206 20 30 EGEDLO C#CCOc1cccc(Cl)c1CNCc1c[nH+]c2n1CCCC2 ZINC000790638248 1306366217 /nfs/dbraw/zinc/36/62/17/1306366217.db2.gz WEKUNKFLALKUBJ-UHFFFAOYSA-N 1 2 329.831 3.175 20 30 EGEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3ccc(C(=O)N(C)C)cc3)n21 ZINC000792925662 1309262697 /nfs/dbraw/zinc/26/26/97/1309262697.db2.gz UHZDBWMKVCTBTE-QXMHVHEDSA-N 1 2 333.391 3.241 20 30 EGEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1CC[C@@H](CCc2ccccc2)C1=O ZINC000793482938 1309383284 /nfs/dbraw/zinc/38/32/84/1309383284.db2.gz IVDLZOXMMPNBLM-OAQYLSRUSA-N 1 2 347.462 3.429 20 30 EGEDLO C[N@H+](Cc1cccc(C#N)c1)CN1CC[C@@H](CCc2ccccc2)C1=O ZINC000793482938 1309383295 /nfs/dbraw/zinc/38/32/95/1309383295.db2.gz IVDLZOXMMPNBLM-OAQYLSRUSA-N 1 2 347.462 3.429 20 30 EGEDLO Cc1ccn(C[NH+]2CCC(c3ccc(F)cc3C)CC2)c(=O)c1C#N ZINC000793545965 1309401165 /nfs/dbraw/zinc/40/11/65/1309401165.db2.gz PLTWIKYATKZKRF-UHFFFAOYSA-N 1 2 339.414 3.313 20 30 EGEDLO COc1ccc(C(N)=[NH+]OC[C@H](OC(C)C)c2ccccc2)cc1 ZINC000793832869 1309448414 /nfs/dbraw/zinc/44/84/14/1309448414.db2.gz RFENTHNGKBJGFH-SFHVURJKSA-N 1 2 328.412 3.498 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccccc1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000794650039 1309564136 /nfs/dbraw/zinc/56/41/36/1309564136.db2.gz GPJCVCSPWFQNQH-UHFFFAOYSA-N 1 2 333.435 3.244 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccccc1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000794650039 1309564142 /nfs/dbraw/zinc/56/41/42/1309564142.db2.gz GPJCVCSPWFQNQH-UHFFFAOYSA-N 1 2 333.435 3.244 20 30 EGEDLO C[NH+](C)Cc1cnc(/C=C2\CCc3ccc([N+](=O)[O-])cc3C2=O)s1 ZINC000794715298 1309581513 /nfs/dbraw/zinc/58/15/13/1309581513.db2.gz VCXNXRGRTMEIFM-KPKJPENVSA-N 1 2 343.408 3.325 20 30 EGEDLO C[NH+](C)Cc1cnc(/C=C2/CCc3ccc([N+](=O)[O-])cc3C2=O)s1 ZINC000794715292 1309581649 /nfs/dbraw/zinc/58/16/49/1309581649.db2.gz VCXNXRGRTMEIFM-GHXNOFRVSA-N 1 2 343.408 3.325 20 30 EGEDLO O=C(/C=C\c1c[nH+]c2ccc(Cl)cn12)c1ccccc1-n1ccnn1 ZINC000794731357 1309584704 /nfs/dbraw/zinc/58/47/04/1309584704.db2.gz JLJBAGYNBPKIBT-SREVYHEPSA-N 1 2 349.781 3.465 20 30 EGEDLO C[N@H+](Cc1nc(-c2cccs2)no1)Cc1ccc(OCC#N)cc1 ZINC000796104891 1309909092 /nfs/dbraw/zinc/90/90/92/1309909092.db2.gz QYKBAMCCSLNNHJ-UHFFFAOYSA-N 1 2 340.408 3.332 20 30 EGEDLO C[N@@H+](Cc1nc(-c2cccs2)no1)Cc1ccc(OCC#N)cc1 ZINC000796104891 1309909099 /nfs/dbraw/zinc/90/90/99/1309909099.db2.gz QYKBAMCCSLNNHJ-UHFFFAOYSA-N 1 2 340.408 3.332 20 30 EGEDLO CCn1c[nH+]c2c1CCN(c1ccc(Br)cc1C#N)C2 ZINC000896659967 1309961832 /nfs/dbraw/zinc/96/18/32/1309961832.db2.gz PRLANTJAJYEASQ-UHFFFAOYSA-N 1 2 331.217 3.100 20 30 EGEDLO C=C(C)[C@@H](Cc1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1)OCC ZINC000896822569 1310034596 /nfs/dbraw/zinc/03/45/96/1310034596.db2.gz DLMJVXZCXIOHEO-QGZVFWFLSA-N 1 2 338.411 3.370 20 30 EGEDLO CC(C)(C(=O)OCc1cccc2[nH+]ccn21)c1cc(F)cc(C#N)c1 ZINC000797164535 1310150401 /nfs/dbraw/zinc/15/04/01/1310150401.db2.gz SCNLBSBKTTUUCZ-UHFFFAOYSA-N 1 2 337.354 3.366 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3CCC(F)(F)C3)CC2)cc1 ZINC000797796813 1310247846 /nfs/dbraw/zinc/24/78/46/1310247846.db2.gz FPIDEMRELWXUNA-KRWDZBQOSA-N 1 2 347.409 3.028 20 30 EGEDLO Cc1ccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(C)c1 ZINC000798275695 1310332611 /nfs/dbraw/zinc/33/26/11/1310332611.db2.gz TXZKQACSXJAOCM-SJORKVTESA-N 1 2 329.444 3.152 20 30 EGEDLO Cc1cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(C)s1 ZINC000798274639 1310332935 /nfs/dbraw/zinc/33/29/35/1310332935.db2.gz HVIBFWUUGFVGFB-HUUCEWRRSA-N 1 2 335.473 3.214 20 30 EGEDLO CC(C)(C)c1nc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)co1 ZINC000929237561 1328545691 /nfs/dbraw/zinc/54/56/91/1328545691.db2.gz STLZLMKROZYUJK-UHFFFAOYSA-N 1 2 338.455 3.162 20 30 EGEDLO C=CCC[NH+]1CC(N(CC)C(=O)c2cnc(CC(C)(C)C)s2)C1 ZINC000957100519 1317187348 /nfs/dbraw/zinc/18/73/48/1317187348.db2.gz GNHDWXWRRYCNOK-UHFFFAOYSA-N 1 2 335.517 3.454 20 30 EGEDLO C=CCC[NH+]1CC(N(CC)C(=O)c2cnc(-c3ccco3)s2)C1 ZINC000957305161 1317272673 /nfs/dbraw/zinc/27/26/73/1317272673.db2.gz ZTKREECHLJELKX-UHFFFAOYSA-N 1 2 331.441 3.126 20 30 EGEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3cccc(-n4ccnn4)c3)n21 ZINC000806576247 1317505290 /nfs/dbraw/zinc/50/52/90/1317505290.db2.gz XWSJJZOLNNMTDL-HJWRWDBZSA-N 1 2 329.363 3.120 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C34CCC(CC3)CC4)CC2)cc1 ZINC000957733864 1317599050 /nfs/dbraw/zinc/59/90/50/1317599050.db2.gz FQVJXQFKPFVBQT-UHFFFAOYSA-N 1 2 337.467 3.173 20 30 EGEDLO C=C[C@H](C(=O)N1CC[NH+](Cc2cnccc2C)CC1)c1ccccc1 ZINC000957744595 1317611125 /nfs/dbraw/zinc/61/11/25/1317611125.db2.gz XNUZVSIQYXVECK-FQEVSTJZSA-N 1 2 335.451 3.004 20 30 EGEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(CC)cc3)CC2)cc1 ZINC000809546162 1317829057 /nfs/dbraw/zinc/82/90/57/1317829057.db2.gz XWDWJMUYTDHJSL-UHFFFAOYSA-N 1 2 332.447 3.188 20 30 EGEDLO N#Cc1ccc(F)cc1COC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000811327433 1318155119 /nfs/dbraw/zinc/15/51/19/1318155119.db2.gz VFSMKIWYPRXTDN-UHFFFAOYSA-N 1 2 349.365 3.228 20 30 EGEDLO C=CC[N@@H+](Cc1ccccc1)CN1C(=O)C2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000811732310 1318241750 /nfs/dbraw/zinc/24/17/50/1318241750.db2.gz PDSOLLOGCCYVLW-RBUKOAKNSA-N 1 2 340.467 3.192 20 30 EGEDLO C=CC[N@H+](Cc1ccccc1)CN1C(=O)C2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000811732310 1318241754 /nfs/dbraw/zinc/24/17/54/1318241754.db2.gz PDSOLLOGCCYVLW-RBUKOAKNSA-N 1 2 340.467 3.192 20 30 EGEDLO CCc1ccc(C#CC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000814623358 1318788180 /nfs/dbraw/zinc/78/81/80/1318788180.db2.gz HNVRCBFLJDTBBP-UHFFFAOYSA-N 1 2 347.393 3.242 20 30 EGEDLO S=C(NCc1ccccc1)N[NH+]=C1CC[C@H]2CNc3cccc1c32 ZINC000814714594 1318802885 /nfs/dbraw/zinc/80/28/85/1318802885.db2.gz NHTRWAAVRCAYII-AWEZNQCLSA-N 1 2 336.464 3.358 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1nc(C)c(C)o1 ZINC000960837587 1318970613 /nfs/dbraw/zinc/97/06/13/1318970613.db2.gz JXFKWGGGEQBMMV-QFBILLFUSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nc(C)c(C)o1 ZINC000960837587 1318970618 /nfs/dbraw/zinc/97/06/18/1318970618.db2.gz JXFKWGGGEQBMMV-QFBILLFUSA-N 1 2 333.476 3.317 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000960888572 1319028309 /nfs/dbraw/zinc/02/83/09/1319028309.db2.gz ATTVUIUJDOSMEL-MDASCCDHSA-N 1 2 343.446 3.166 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000960888572 1319028317 /nfs/dbraw/zinc/02/83/17/1319028317.db2.gz ATTVUIUJDOSMEL-MDASCCDHSA-N 1 2 343.446 3.166 20 30 EGEDLO Cc1cc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)c(C)n1Cc1ccccc1 ZINC000819809627 1319790370 /nfs/dbraw/zinc/79/03/70/1319790370.db2.gz VNQMXYGEFBRXTA-WOJBJXKFSA-N 1 2 349.482 3.347 20 30 EGEDLO COc1ccc(C(N)=[NH+]OCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000917401885 1319800439 /nfs/dbraw/zinc/80/04/39/1319800439.db2.gz CZESNCSDHASWEE-UHFFFAOYSA-N 1 2 340.301 3.431 20 30 EGEDLO CC(C)(C)C#CC(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000837394990 1320610273 /nfs/dbraw/zinc/61/02/73/1320610273.db2.gz KAEYTAIDFAHFJP-UHFFFAOYSA-N 1 2 349.438 3.311 20 30 EGEDLO N#C[C@H]1CCC[C@@H](OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000839057756 1320860111 /nfs/dbraw/zinc/86/01/11/1320860111.db2.gz NJGHGVQCZNTXRM-GXTWGEPZSA-N 1 2 340.339 3.020 20 30 EGEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1C(=O)OC[C@H]1Cc1ccccc1 ZINC000848474745 1321961643 /nfs/dbraw/zinc/96/16/43/1321961643.db2.gz GJRODEUKYZNLLB-LJQANCHMSA-N 1 2 335.407 3.011 20 30 EGEDLO C[N@H+](Cc1cccc(C#N)c1)CN1C(=O)OC[C@H]1Cc1ccccc1 ZINC000848474745 1321961647 /nfs/dbraw/zinc/96/16/47/1321961647.db2.gz GJRODEUKYZNLLB-LJQANCHMSA-N 1 2 335.407 3.011 20 30 EGEDLO COc1cccc(O)c1/C=N/Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000920387685 1322170990 /nfs/dbraw/zinc/17/09/90/1322170990.db2.gz SKQJQOSWVBZKHP-SRZZPIQSSA-N 1 2 325.343 3.345 20 30 EGEDLO CC[N@H+](CC1CCN(C(=O)OCc2ccccc2)CC1)[C@H](C)C#N ZINC000852647049 1323221916 /nfs/dbraw/zinc/22/19/16/1323221916.db2.gz WKZPVRBEXQHFLJ-MRXNPFEDSA-N 1 2 329.444 3.269 20 30 EGEDLO CC[N@@H+](CC1CCN(C(=O)OCc2ccccc2)CC1)[C@H](C)C#N ZINC000852647049 1323221922 /nfs/dbraw/zinc/22/19/22/1323221922.db2.gz WKZPVRBEXQHFLJ-MRXNPFEDSA-N 1 2 329.444 3.269 20 30 EGEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852757970 1323238961 /nfs/dbraw/zinc/23/89/61/1323238961.db2.gz SRTLECRVMWQWHD-XUJVJEKNSA-N 1 2 339.361 3.008 20 30 EGEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852757970 1323238969 /nfs/dbraw/zinc/23/89/69/1323238969.db2.gz SRTLECRVMWQWHD-XUJVJEKNSA-N 1 2 339.361 3.008 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccs1 ZINC001024316031 1323299941 /nfs/dbraw/zinc/29/99/41/1323299941.db2.gz GNNXCSGILFPUTL-QGZVFWFLSA-N 1 2 339.464 3.404 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccs1 ZINC001024316031 1323299945 /nfs/dbraw/zinc/29/99/45/1323299945.db2.gz GNNXCSGILFPUTL-QGZVFWFLSA-N 1 2 339.464 3.404 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccoc2)cc1F ZINC001024331905 1323319992 /nfs/dbraw/zinc/31/99/92/1323319992.db2.gz SDYIXZLDILLNQP-QGZVFWFLSA-N 1 2 341.386 3.075 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccoc2)cc1F ZINC001024331905 1323319998 /nfs/dbraw/zinc/31/99/98/1323319998.db2.gz SDYIXZLDILLNQP-QGZVFWFLSA-N 1 2 341.386 3.075 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(C(C)(C)C)on1 ZINC001024549953 1323491396 /nfs/dbraw/zinc/49/13/96/1323491396.db2.gz ALTCJUBHIVDSLF-ZDUSSCGKSA-N 1 2 339.867 3.309 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C(C)(C)C)on1 ZINC001024549953 1323491401 /nfs/dbraw/zinc/49/14/01/1323491401.db2.gz ALTCJUBHIVDSLF-ZDUSSCGKSA-N 1 2 339.867 3.309 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2nccs2)CC1 ZINC001024633828 1323559926 /nfs/dbraw/zinc/55/99/26/1323559926.db2.gz NQVBEIVBHHURNI-MRXNPFEDSA-N 1 2 333.501 3.360 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCCC[N@H+]2Cc2nccs2)CC1 ZINC001024633828 1323559930 /nfs/dbraw/zinc/55/99/30/1323559930.db2.gz NQVBEIVBHHURNI-MRXNPFEDSA-N 1 2 333.501 3.360 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCCC[N@H+]2Cc2nocc2C)CC1 ZINC001024633737 1323560042 /nfs/dbraw/zinc/56/00/42/1323560042.db2.gz MQJKXPFGMSRBDQ-QGZVFWFLSA-N 1 2 331.460 3.200 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2nocc2C)CC1 ZINC001024633737 1323560044 /nfs/dbraw/zinc/56/00/44/1323560044.db2.gz MQJKXPFGMSRBDQ-QGZVFWFLSA-N 1 2 331.460 3.200 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC001024712295 1323618680 /nfs/dbraw/zinc/61/86/80/1323618680.db2.gz TWZYUMGIPVYVKL-RHSMWYFYSA-N 1 2 348.874 3.347 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC001024712295 1323618685 /nfs/dbraw/zinc/61/86/85/1323618685.db2.gz TWZYUMGIPVYVKL-RHSMWYFYSA-N 1 2 348.874 3.347 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(-c2ccoc2)n[nH]1 ZINC001024798197 1323702944 /nfs/dbraw/zinc/70/29/44/1323702944.db2.gz VKCHIRXFLDUWSV-AWEZNQCLSA-N 1 2 348.834 3.007 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(-c2ccoc2)n[nH]1 ZINC001024798197 1323702952 /nfs/dbraw/zinc/70/29/52/1323702952.db2.gz VKCHIRXFLDUWSV-AWEZNQCLSA-N 1 2 348.834 3.007 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000853450599 1325094352 /nfs/dbraw/zinc/09/43/52/1325094352.db2.gz FBCMKFULWWEPRB-MAUKXSAKSA-N 1 2 332.469 3.340 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccoc2C)C1 ZINC001027289913 1325423392 /nfs/dbraw/zinc/42/33/92/1325423392.db2.gz LKPSWGRAACFMNZ-CYBMUJFWSA-N 1 2 341.249 3.033 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccoc2C)C1 ZINC001027289913 1325423397 /nfs/dbraw/zinc/42/33/97/1325423397.db2.gz LKPSWGRAACFMNZ-CYBMUJFWSA-N 1 2 341.249 3.033 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)C2CC(C)(C)C2)C1 ZINC001027396276 1327613132 /nfs/dbraw/zinc/61/31/32/1327613132.db2.gz VQTRDQIRLDFJQE-AWEZNQCLSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)C2CC(C)(C)C2)C1 ZINC001027396276 1327613137 /nfs/dbraw/zinc/61/31/37/1327613137.db2.gz VQTRDQIRLDFJQE-AWEZNQCLSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)C2CCC2)C1 ZINC001027460931 1327707244 /nfs/dbraw/zinc/70/72/44/1327707244.db2.gz RRVNJQYHAKOHDZ-ZFWWWQNUSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)C2CCC2)C1 ZINC001027460931 1327707250 /nfs/dbraw/zinc/70/72/50/1327707250.db2.gz RRVNJQYHAKOHDZ-ZFWWWQNUSA-N 1 2 343.309 3.254 20 30 EGEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1cccs1 ZINC000964834086 1327719293 /nfs/dbraw/zinc/71/92/93/1327719293.db2.gz GFKHDEPPROYAPU-IUODEOHRSA-N 1 2 345.493 3.322 20 30 EGEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1cccs1 ZINC000964834086 1327719302 /nfs/dbraw/zinc/71/93/02/1327719302.db2.gz GFKHDEPPROYAPU-IUODEOHRSA-N 1 2 345.493 3.322 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C)o1 ZINC000964903581 1327762075 /nfs/dbraw/zinc/76/20/75/1327762075.db2.gz JOVWOYXAIAZBLA-QFBILLFUSA-N 1 2 336.435 3.080 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)CC[C@@H]2C)o1 ZINC000964903581 1327762084 /nfs/dbraw/zinc/76/20/84/1327762084.db2.gz JOVWOYXAIAZBLA-QFBILLFUSA-N 1 2 336.435 3.080 20 30 EGEDLO C[C@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1ccsc1 ZINC000964936138 1327781627 /nfs/dbraw/zinc/78/16/27/1327781627.db2.gz NNLYQCPBIYVBNC-KBXCAEBGSA-N 1 2 339.464 3.260 20 30 EGEDLO C[C@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1ccsc1 ZINC000964936138 1327781637 /nfs/dbraw/zinc/78/16/37/1327781637.db2.gz NNLYQCPBIYVBNC-KBXCAEBGSA-N 1 2 339.464 3.260 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([N@H+](C)Cc2nc(C)oc2C)C1 ZINC001027519758 1327791677 /nfs/dbraw/zinc/79/16/77/1327791677.db2.gz VOFLFKSGZNGTHW-INIZCTEOSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2nc(C)oc2C)C1 ZINC001027519758 1327791681 /nfs/dbraw/zinc/79/16/81/1327791681.db2.gz VOFLFKSGZNGTHW-INIZCTEOSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3nccn3CC)C2)CC1 ZINC001027559224 1327870412 /nfs/dbraw/zinc/87/04/12/1327870412.db2.gz QWPSIPPMVBFTGQ-GOSISDBHSA-N 1 2 344.503 3.072 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@H+](C)Cc3nccn3CC)C2)CC1 ZINC001027559224 1327870422 /nfs/dbraw/zinc/87/04/22/1327870422.db2.gz QWPSIPPMVBFTGQ-GOSISDBHSA-N 1 2 344.503 3.072 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@H+](C)Cc3snnc3C)C2)CC1 ZINC001027559395 1327871024 /nfs/dbraw/zinc/87/10/24/1327871024.db2.gz XBZUUFGRWJNHPH-MRXNPFEDSA-N 1 2 348.516 3.016 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3snnc3C)C2)CC1 ZINC001027559395 1327871028 /nfs/dbraw/zinc/87/10/28/1327871028.db2.gz XBZUUFGRWJNHPH-MRXNPFEDSA-N 1 2 348.516 3.016 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2nsc3ccccc32)C1 ZINC000966296962 1328257880 /nfs/dbraw/zinc/25/78/80/1328257880.db2.gz KQWVSBTYDNFYBV-BXUZGUMPSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2nsc3ccccc32)C1 ZINC000966296962 1328257889 /nfs/dbraw/zinc/25/78/89/1328257889.db2.gz KQWVSBTYDNFYBV-BXUZGUMPSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C(F)F)nc2)C1 ZINC000966566521 1328343057 /nfs/dbraw/zinc/34/30/57/1328343057.db2.gz PVNSUZOPVHFXNA-YGRLFVJLSA-N 1 2 343.805 3.212 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C(F)F)nc2)C1 ZINC000966566521 1328343067 /nfs/dbraw/zinc/34/30/67/1328343067.db2.gz PVNSUZOPVHFXNA-YGRLFVJLSA-N 1 2 343.805 3.212 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2nccc(C)c2c1 ZINC001027906833 1328378619 /nfs/dbraw/zinc/37/86/19/1328378619.db2.gz SDHDEGGUJDKSMD-INIZCTEOSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2nccc(C)c2c1 ZINC001027906833 1328378627 /nfs/dbraw/zinc/37/86/27/1328378627.db2.gz SDHDEGGUJDKSMD-INIZCTEOSA-N 1 2 343.858 3.490 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000862324914 1329475582 /nfs/dbraw/zinc/47/55/82/1329475582.db2.gz YBRVCAOTFGXZRT-WBVHZDCISA-N 1 2 340.427 3.017 20 30 EGEDLO CC(C)[C@H](C/N=C\c1cc(Cl)cc(Cl)c1O)[NH+]1CCOCC1 ZINC000863950681 1329591269 /nfs/dbraw/zinc/59/12/69/1329591269.db2.gz HQOOYPOCVQATRF-VRKJEAOJSA-N 1 2 345.270 3.475 20 30 EGEDLO CC(C)[C@@H](C/N=C\c1cc(Cl)cc(Cl)c1O)[NH+]1CCOCC1 ZINC000863950680 1329591275 /nfs/dbraw/zinc/59/12/75/1329591275.db2.gz HQOOYPOCVQATRF-HBFFOVPNSA-N 1 2 345.270 3.475 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+](Cc2ccccn2)CC(C)C)c1C#N ZINC000932448968 1329815895 /nfs/dbraw/zinc/81/58/95/1329815895.db2.gz KMNZYSBYHYVVDZ-UHFFFAOYSA-N 1 2 337.423 3.398 20 30 EGEDLO COC(=O)c1cccc(C[N@H+](Cc2ccccn2)CC(C)C)c1C#N ZINC000932448968 1329815896 /nfs/dbraw/zinc/81/58/96/1329815896.db2.gz KMNZYSBYHYVVDZ-UHFFFAOYSA-N 1 2 337.423 3.398 20 30 EGEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932607529 1329826970 /nfs/dbraw/zinc/82/69/70/1329826970.db2.gz WMVPIZBRRFBWHD-UHFFFAOYSA-N 1 2 342.830 3.332 20 30 EGEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932607529 1329826972 /nfs/dbraw/zinc/82/69/72/1329826972.db2.gz WMVPIZBRRFBWHD-UHFFFAOYSA-N 1 2 342.830 3.332 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCCN(c3nc(C)[nH+]c(C)c3C)C2)C1 ZINC001063227731 1351764420 /nfs/dbraw/zinc/76/44/20/1351764420.db2.gz BITLFNBFJMEDCO-QGZVFWFLSA-N 1 2 342.487 3.233 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2coc(C)c2)C[C@H]1C ZINC000947245480 1333063442 /nfs/dbraw/zinc/06/34/42/1333063442.db2.gz SVHRXAMSRQKKMO-RISCZKNCSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2coc(C)c2)C[C@H]1C ZINC000947245480 1333063444 /nfs/dbraw/zinc/06/34/44/1333063444.db2.gz SVHRXAMSRQKKMO-RISCZKNCSA-N 1 2 341.249 3.079 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)C2(C)CCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947613078 1333192830 /nfs/dbraw/zinc/19/28/30/1333192830.db2.gz ZYYCIVLNDZFHFV-KBXCAEBGSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)C2(C)CCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947613078 1333192834 /nfs/dbraw/zinc/19/28/34/1333192834.db2.gz ZYYCIVLNDZFHFV-KBXCAEBGSA-N 1 2 343.446 3.357 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2CC3(CC3)C2)C[C@@H]1C ZINC000947702618 1333233041 /nfs/dbraw/zinc/23/30/41/1333233041.db2.gz QIZGCXWMLHDDAM-JSGCOSHPSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2CC3(CC3)C2)C[C@@H]1C ZINC000947702618 1333233047 /nfs/dbraw/zinc/23/30/47/1333233047.db2.gz QIZGCXWMLHDDAM-JSGCOSHPSA-N 1 2 341.293 3.054 20 30 EGEDLO C=CC[N@H+]1CCC[C@@H](N(C)C(=O)c2c(Cl)[nH]nc2C2CC2)CC1 ZINC000948433335 1333523126 /nfs/dbraw/zinc/52/31/26/1333523126.db2.gz XKJIXOXSFQYYRH-CYBMUJFWSA-N 1 2 336.867 3.053 20 30 EGEDLO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2c(Cl)[nH]nc2C2CC2)CC1 ZINC000948433335 1333523128 /nfs/dbraw/zinc/52/31/28/1333523128.db2.gz XKJIXOXSFQYYRH-CYBMUJFWSA-N 1 2 336.867 3.053 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)c(C)o1 ZINC000948906473 1333727924 /nfs/dbraw/zinc/72/79/24/1333727924.db2.gz NHBJHUGKUKRKGL-IBGZPJMESA-N 1 2 336.435 3.249 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)c(C)o1 ZINC000948906473 1333727933 /nfs/dbraw/zinc/72/79/33/1333727933.db2.gz NHBJHUGKUKRKGL-IBGZPJMESA-N 1 2 336.435 3.249 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc[nH]c1C(C)C ZINC000948951422 1333745566 /nfs/dbraw/zinc/74/55/66/1333745566.db2.gz YZCARVDYNONVIX-IBGZPJMESA-N 1 2 335.451 3.101 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc[nH]c1C(C)C ZINC000948951422 1333745567 /nfs/dbraw/zinc/74/55/67/1333745567.db2.gz YZCARVDYNONVIX-IBGZPJMESA-N 1 2 335.451 3.101 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1CCC(F)(F)CC1 ZINC000948966270 1333750172 /nfs/dbraw/zinc/75/01/72/1333750172.db2.gz XFVZHDSFPMFVFB-SFHVURJKSA-N 1 2 346.421 3.161 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1CCC(F)(F)CC1 ZINC000948966270 1333750175 /nfs/dbraw/zinc/75/01/75/1333750175.db2.gz XFVZHDSFPMFVFB-SFHVURJKSA-N 1 2 346.421 3.161 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)ccc1C ZINC000948982674 1333757790 /nfs/dbraw/zinc/75/77/90/1333757790.db2.gz PJMQAGDKFGUVRB-NRFANRHFSA-N 1 2 332.447 3.266 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)ccc1C ZINC000948982674 1333757792 /nfs/dbraw/zinc/75/77/92/1333757792.db2.gz PJMQAGDKFGUVRB-NRFANRHFSA-N 1 2 332.447 3.266 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[NH+](Cc2cccc(OC(C)C)c2)CC1 ZINC000949662974 1333892068 /nfs/dbraw/zinc/89/20/68/1333892068.db2.gz LEQLDMDOGDRIIB-UHFFFAOYSA-N 1 2 330.472 3.330 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](CCOc2cccc(C)c2)CC1 ZINC000950051653 1334003749 /nfs/dbraw/zinc/00/37/49/1334003749.db2.gz PYDLISUFIMJLAO-HXUWFJFHSA-N 1 2 330.472 3.120 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000950340605 1334045025 /nfs/dbraw/zinc/04/50/25/1334045025.db2.gz CJDCFLRZAUOYFU-MOPGFXCFSA-N 1 2 328.456 3.016 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(Cl)c(Cl)n2C)C1 ZINC000950463049 1334075505 /nfs/dbraw/zinc/07/55/05/1334075505.db2.gz YIMDUSVMZKPGGD-UHFFFAOYSA-N 1 2 330.259 3.054 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(C3CC3)oc2C2CC2)C1 ZINC000950920267 1334153806 /nfs/dbraw/zinc/15/38/06/1334153806.db2.gz SLVJWDTVGHXLEJ-UHFFFAOYSA-N 1 2 326.440 3.204 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC000950965236 1334161097 /nfs/dbraw/zinc/16/10/97/1334161097.db2.gz ANCARZXUOSVFQH-DLBZAZTESA-N 1 2 334.410 3.177 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC2(CCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001063599793 1351934828 /nfs/dbraw/zinc/93/48/28/1351934828.db2.gz FKTCXVJOLOCXEB-LJQANCHMSA-N 1 2 342.487 3.206 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H](Nc3cc[nH+]c(C)n3)[C@@H](C)C2)CC1 ZINC001063792764 1352011875 /nfs/dbraw/zinc/01/18/75/1352011875.db2.gz YNVHDBGZYGVYIZ-YOEHRIQHSA-N 1 2 328.460 3.180 20 30 EGEDLO C=CCOc1ccccc1C(=O)N[C@H]1C[N@@H+](CC(=C)Cl)CC[C@@H]1C ZINC000967010410 1335641401 /nfs/dbraw/zinc/64/14/01/1335641401.db2.gz VKWMHKQDYPYGGC-YOEHRIQHSA-N 1 2 348.874 3.444 20 30 EGEDLO C=CCOc1ccccc1C(=O)N[C@H]1C[N@H+](CC(=C)Cl)CC[C@@H]1C ZINC000967010410 1335641406 /nfs/dbraw/zinc/64/14/06/1335641406.db2.gz VKWMHKQDYPYGGC-YOEHRIQHSA-N 1 2 348.874 3.444 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(F)c2F)C1 ZINC000968063014 1335850856 /nfs/dbraw/zinc/85/08/56/1335850856.db2.gz WDIMIRIIGWAXFG-IINYFYTJSA-N 1 2 328.790 3.158 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(F)c2F)C1 ZINC000968063014 1335850857 /nfs/dbraw/zinc/85/08/57/1335850857.db2.gz WDIMIRIIGWAXFG-IINYFYTJSA-N 1 2 328.790 3.158 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3nc(C)c(C)s3)CC[C@@H]2C)C1 ZINC000968212619 1335872990 /nfs/dbraw/zinc/87/29/90/1335872990.db2.gz NPIAENTWONIKPW-XJKSGUPXSA-N 1 2 347.528 3.443 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3nc(C)c(C)s3)CC[C@@H]2C)C1 ZINC000968212619 1335872994 /nfs/dbraw/zinc/87/29/94/1335872994.db2.gz NPIAENTWONIKPW-XJKSGUPXSA-N 1 2 347.528 3.443 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(Cl)nc3)CC[C@@H]2C)C1 ZINC000968212908 1335873088 /nfs/dbraw/zinc/87/30/88/1335873088.db2.gz OBBKTTONYWCKFM-GOEBONIOSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3ccc(Cl)nc3)CC[C@@H]2C)C1 ZINC000968212908 1335873090 /nfs/dbraw/zinc/87/30/90/1335873090.db2.gz OBBKTTONYWCKFM-GOEBONIOSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3nc(C)sc3C)CC[C@H]2C)C1 ZINC000968273692 1335882257 /nfs/dbraw/zinc/88/22/57/1335882257.db2.gz IQTLSPONZVNXJD-CZUORRHYSA-N 1 2 347.528 3.443 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3nc(C)sc3C)CC[C@H]2C)C1 ZINC000968273692 1335882260 /nfs/dbraw/zinc/88/22/60/1335882260.db2.gz IQTLSPONZVNXJD-CZUORRHYSA-N 1 2 347.528 3.443 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000968508550 1335947381 /nfs/dbraw/zinc/94/73/81/1335947381.db2.gz AZKBIOQTXNQNAC-ZBEGNZNMSA-N 1 2 346.862 3.064 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000968508550 1335947382 /nfs/dbraw/zinc/94/73/82/1335947382.db2.gz AZKBIOQTXNQNAC-ZBEGNZNMSA-N 1 2 346.862 3.064 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3cnccc3c2)C1 ZINC000968513749 1335948835 /nfs/dbraw/zinc/94/88/35/1335948835.db2.gz PPIYEWVCKXFRGT-ACJLOTCBSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3cnccc3c2)C1 ZINC000968513749 1335948839 /nfs/dbraw/zinc/94/88/39/1335948839.db2.gz PPIYEWVCKXFRGT-ACJLOTCBSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2c[nH]c3ccccc23)C1 ZINC000968568605 1335962890 /nfs/dbraw/zinc/96/28/90/1335962890.db2.gz BJAXVJHHODSZCY-UGSOOPFHSA-N 1 2 345.874 3.290 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2c[nH]c3ccccc23)C1 ZINC000968568605 1335962894 /nfs/dbraw/zinc/96/28/94/1335962894.db2.gz BJAXVJHHODSZCY-UGSOOPFHSA-N 1 2 345.874 3.290 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc3cnccc32)C1 ZINC000968651384 1335996911 /nfs/dbraw/zinc/99/69/11/1335996911.db2.gz HRRBFVYFTPUIHM-SCLBCKFNSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc3cnccc32)C1 ZINC000968651384 1335996912 /nfs/dbraw/zinc/99/69/12/1335996912.db2.gz HRRBFVYFTPUIHM-SCLBCKFNSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1cc(C2CC2)no1 ZINC000969056473 1336131677 /nfs/dbraw/zinc/13/16/77/1336131677.db2.gz GMGFORPNDSRLJD-AWEZNQCLSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1cc(C2CC2)no1 ZINC000969056473 1336131678 /nfs/dbraw/zinc/13/16/78/1336131678.db2.gz GMGFORPNDSRLJD-AWEZNQCLSA-N 1 2 337.851 3.279 20 30 EGEDLO C[C@H](NC(=O)C1CCCC1)C1C[NH+](CC#Cc2ccccc2Cl)C1 ZINC000969196170 1336174352 /nfs/dbraw/zinc/17/43/52/1336174352.db2.gz PGYDTPWPRKTTFI-HNNXBMFYSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(C)cc(OC)c2C)C1 ZINC000970056935 1336274464 /nfs/dbraw/zinc/27/44/64/1336274464.db2.gz JRNDQJKHOPINRC-AWEZNQCLSA-N 1 2 336.863 3.115 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc3cc(F)ccc3o2)C1 ZINC000970508535 1336314112 /nfs/dbraw/zinc/31/41/12/1336314112.db2.gz HXYPYJUNMQWTCZ-LLVKDONJSA-N 1 2 336.794 3.375 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)C2(F)CCCC2)CC1 ZINC001005624207 1336383752 /nfs/dbraw/zinc/38/37/52/1336383752.db2.gz AQPMEKGFDMSPEP-UHFFFAOYSA-N 1 2 347.272 3.100 20 30 EGEDLO C[C@H]1C[C@H]1CC(=O)N(C)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001005932278 1336424377 /nfs/dbraw/zinc/42/43/77/1336424377.db2.gz XCBXECBUNKKBDD-HOCLYGCPSA-N 1 2 343.446 3.166 20 30 EGEDLO CC(C)(F)C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001006550131 1336523782 /nfs/dbraw/zinc/52/37/82/1336523782.db2.gz CUIPFYNZXAMIDX-INIZCTEOSA-N 1 2 336.838 3.020 20 30 EGEDLO CC(C)(F)C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001006550131 1336523785 /nfs/dbraw/zinc/52/37/85/1336523785.db2.gz CUIPFYNZXAMIDX-INIZCTEOSA-N 1 2 336.838 3.020 20 30 EGEDLO Cc1ccsc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001006595504 1336533899 /nfs/dbraw/zinc/53/38/99/1336533899.db2.gz CVXBPBVDPUVCST-ZDUSSCGKSA-N 1 2 345.493 3.384 20 30 EGEDLO Cc1ccsc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001006595504 1336533900 /nfs/dbraw/zinc/53/39/00/1336533900.db2.gz CVXBPBVDPUVCST-ZDUSSCGKSA-N 1 2 345.493 3.384 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CC3CCCC3)C2)c(F)c1 ZINC001006636463 1336544763 /nfs/dbraw/zinc/54/47/63/1336544763.db2.gz HTJMKCVBHHGJFF-SFHVURJKSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)CC3CCCC3)C2)c(F)c1 ZINC001006636463 1336544768 /nfs/dbraw/zinc/54/47/68/1336544768.db2.gz HTJMKCVBHHGJFF-SFHVURJKSA-N 1 2 343.446 3.358 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)oc1C ZINC001007113851 1336645520 /nfs/dbraw/zinc/64/55/20/1336645520.db2.gz REYKZIDGYNHEDO-SFHVURJKSA-N 1 2 337.423 3.163 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)oc1C ZINC001007113851 1336645523 /nfs/dbraw/zinc/64/55/23/1336645523.db2.gz REYKZIDGYNHEDO-SFHVURJKSA-N 1 2 337.423 3.163 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC001007458495 1336651124 /nfs/dbraw/zinc/65/11/24/1336651124.db2.gz XWXQLOFLQLDKCW-MRXNPFEDSA-N 1 2 336.838 3.190 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC001007458495 1336651126 /nfs/dbraw/zinc/65/11/26/1336651126.db2.gz XWXQLOFLQLDKCW-MRXNPFEDSA-N 1 2 336.838 3.190 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001007645583 1336683412 /nfs/dbraw/zinc/68/34/12/1336683412.db2.gz VQYKBIKQDZIMBT-AEFFLSMTSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001007645583 1336683414 /nfs/dbraw/zinc/68/34/14/1336683414.db2.gz VQYKBIKQDZIMBT-AEFFLSMTSA-N 1 2 332.875 3.440 20 30 EGEDLO C[C@]1(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)C[C@H]2C[C@H]2C1 ZINC001008049610 1336758278 /nfs/dbraw/zinc/75/82/78/1336758278.db2.gz VGHNBZFDRXIQDF-YOUFYPILSA-N 1 2 337.467 3.075 20 30 EGEDLO C[C@]1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)C[C@H]2C[C@H]2C1 ZINC001008049610 1336758280 /nfs/dbraw/zinc/75/82/80/1336758280.db2.gz VGHNBZFDRXIQDF-YOUFYPILSA-N 1 2 337.467 3.075 20 30 EGEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)c1occc1Cl ZINC001008430708 1336851390 /nfs/dbraw/zinc/85/13/90/1336851390.db2.gz UWVDFTJPOOUGBD-INIZCTEOSA-N 1 2 342.826 3.179 20 30 EGEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1occc1Cl ZINC001008430708 1336851394 /nfs/dbraw/zinc/85/13/94/1336851394.db2.gz UWVDFTJPOOUGBD-INIZCTEOSA-N 1 2 342.826 3.179 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001008459099 1336860795 /nfs/dbraw/zinc/86/07/95/1336860795.db2.gz ORCMQUPWDKCEDM-BPQIPLTHSA-N 1 2 343.446 3.214 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001008459099 1336860796 /nfs/dbraw/zinc/86/07/96/1336860796.db2.gz ORCMQUPWDKCEDM-BPQIPLTHSA-N 1 2 343.446 3.214 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001008585780 1336888914 /nfs/dbraw/zinc/88/89/14/1336888914.db2.gz FLMLOJJRSXIPPQ-BHIYHBOVSA-N 1 2 344.886 3.318 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001008585780 1336888917 /nfs/dbraw/zinc/88/89/17/1336888917.db2.gz FLMLOJJRSXIPPQ-BHIYHBOVSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C)c(OCC)c2)C1 ZINC001008739190 1336918703 /nfs/dbraw/zinc/91/87/03/1336918703.db2.gz UGQOSIWXFKNDMA-INIZCTEOSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)c(OCC)c2)C1 ZINC001008739190 1336918704 /nfs/dbraw/zinc/91/87/04/1336918704.db2.gz UGQOSIWXFKNDMA-INIZCTEOSA-N 1 2 336.863 3.340 20 30 EGEDLO CC1(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)CC(F)(F)C1 ZINC001009158391 1336978253 /nfs/dbraw/zinc/97/82/53/1336978253.db2.gz BYZQKKKTSYXKIG-INIZCTEOSA-N 1 2 347.409 3.074 20 30 EGEDLO CC1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)CC(F)(F)C1 ZINC001009158391 1336978270 /nfs/dbraw/zinc/97/82/70/1336978270.db2.gz BYZQKKKTSYXKIG-INIZCTEOSA-N 1 2 347.409 3.074 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2coc3cc(F)ccc23)C1 ZINC001014395110 1337765635 /nfs/dbraw/zinc/76/56/35/1337765635.db2.gz DKPCKXNCKAGKRZ-AWEZNQCLSA-N 1 2 336.794 3.057 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2coc3cc(F)ccc23)C1 ZINC001014395110 1337765638 /nfs/dbraw/zinc/76/56/38/1337765638.db2.gz DKPCKXNCKAGKRZ-AWEZNQCLSA-N 1 2 336.794 3.057 20 30 EGEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cc2c(o1)CCCC2 ZINC001014677978 1337868143 /nfs/dbraw/zinc/86/81/43/1337868143.db2.gz QBYNBBLWRPOWDA-LJQANCHMSA-N 1 2 348.446 3.014 20 30 EGEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cc2c(o1)CCCC2 ZINC001014677978 1337868147 /nfs/dbraw/zinc/86/81/47/1337868147.db2.gz QBYNBBLWRPOWDA-LJQANCHMSA-N 1 2 348.446 3.014 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC001014725960 1337887104 /nfs/dbraw/zinc/88/71/04/1337887104.db2.gz SWXIIRTXSOORIU-CYBMUJFWSA-N 1 2 349.887 3.393 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC001014725960 1337887109 /nfs/dbraw/zinc/88/71/09/1337887109.db2.gz SWXIIRTXSOORIU-CYBMUJFWSA-N 1 2 349.887 3.393 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)nn2C(CC)CC)C1 ZINC001015032475 1337995809 /nfs/dbraw/zinc/99/58/09/1337995809.db2.gz KQAPRGSVARGMOJ-CQSZACIVSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)nn2C(CC)CC)C1 ZINC001015032475 1337995810 /nfs/dbraw/zinc/99/58/10/1337995810.db2.gz KQAPRGSVARGMOJ-CQSZACIVSA-N 1 2 338.883 3.109 20 30 EGEDLO CC(C)(C(=O)N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)C1CC1 ZINC001015586735 1338195466 /nfs/dbraw/zinc/19/54/66/1338195466.db2.gz YFPGTICMRLYPLY-SFHVURJKSA-N 1 2 344.886 3.318 20 30 EGEDLO CC(C)(C(=O)N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)C1CC1 ZINC001015586735 1338195470 /nfs/dbraw/zinc/19/54/70/1338195470.db2.gz YFPGTICMRLYPLY-SFHVURJKSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001015605256 1338205743 /nfs/dbraw/zinc/20/57/43/1338205743.db2.gz JZGPIMQIIURWBG-QJPTWQEYSA-N 1 2 345.295 3.448 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001015605256 1338205747 /nfs/dbraw/zinc/20/57/47/1338205747.db2.gz JZGPIMQIIURWBG-QJPTWQEYSA-N 1 2 345.295 3.448 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2coc(C(F)F)c2)C1 ZINC001015617932 1338209552 /nfs/dbraw/zinc/20/95/52/1338209552.db2.gz LBCNBBDTGYIKGE-OAHLLOKOSA-N 1 2 345.349 3.093 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2coc(C(F)F)c2)C1 ZINC001015617932 1338209557 /nfs/dbraw/zinc/20/95/57/1338209557.db2.gz LBCNBBDTGYIKGE-OAHLLOKOSA-N 1 2 345.349 3.093 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC001015648722 1338228117 /nfs/dbraw/zinc/22/81/17/1338228117.db2.gz JSYFOPAWOUCCJW-SWLSCSKDSA-N 1 2 327.255 3.387 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC001015648722 1338228121 /nfs/dbraw/zinc/22/81/21/1338228121.db2.gz JSYFOPAWOUCCJW-SWLSCSKDSA-N 1 2 327.255 3.387 20 30 EGEDLO CC1(C)CC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)C1 ZINC001015669523 1338245729 /nfs/dbraw/zinc/24/57/29/1338245729.db2.gz CGFRNYAFNIHTGD-WBVHZDCISA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)C1 ZINC001015669523 1338245732 /nfs/dbraw/zinc/24/57/32/1338245732.db2.gz CGFRNYAFNIHTGD-WBVHZDCISA-N 1 2 343.446 3.214 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC001015737913 1338278567 /nfs/dbraw/zinc/27/85/67/1338278567.db2.gz VPGQVOKBTHQCRF-GOSISDBHSA-N 1 2 344.418 3.044 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC001015737913 1338278574 /nfs/dbraw/zinc/27/85/74/1338278574.db2.gz VPGQVOKBTHQCRF-GOSISDBHSA-N 1 2 344.418 3.044 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2O[C@@H](C)CC)C1 ZINC001015775116 1338305183 /nfs/dbraw/zinc/30/51/83/1338305183.db2.gz KUHTZSAEOMBWQA-LSDHHAIUSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2O[C@@H](C)CC)C1 ZINC001015775116 1338305185 /nfs/dbraw/zinc/30/51/85/1338305185.db2.gz KUHTZSAEOMBWQA-LSDHHAIUSA-N 1 2 336.863 3.421 20 30 EGEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1csc(Cl)c1 ZINC001015793307 1338313651 /nfs/dbraw/zinc/31/36/51/1338313651.db2.gz SAHCUCZPSPZAST-INIZCTEOSA-N 1 2 344.867 3.257 20 30 EGEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1csc(Cl)c1 ZINC001015793307 1338313654 /nfs/dbraw/zinc/31/36/54/1338313654.db2.gz SAHCUCZPSPZAST-INIZCTEOSA-N 1 2 344.867 3.257 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC001016067641 1338440612 /nfs/dbraw/zinc/44/06/12/1338440612.db2.gz GQOBDFKLVOSCMU-ZDUSSCGKSA-N 1 2 332.753 3.262 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC001016067641 1338440615 /nfs/dbraw/zinc/44/06/15/1338440615.db2.gz GQOBDFKLVOSCMU-ZDUSSCGKSA-N 1 2 332.753 3.262 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001017697719 1339393790 /nfs/dbraw/zinc/39/37/90/1339393790.db2.gz DZWGNLSPGTVHCA-FPCVCCKLSA-N 1 2 342.405 3.054 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001017697719 1339393792 /nfs/dbraw/zinc/39/37/92/1339393792.db2.gz DZWGNLSPGTVHCA-FPCVCCKLSA-N 1 2 342.405 3.054 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]1c1ccccc1 ZINC001017725337 1339403357 /nfs/dbraw/zinc/40/33/57/1339403357.db2.gz AFMTXRPLIBKJJF-WOZUAGRISA-N 1 2 336.479 3.269 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]1c1ccccc1 ZINC001017725337 1339403360 /nfs/dbraw/zinc/40/33/60/1339403360.db2.gz AFMTXRPLIBKJJF-WOZUAGRISA-N 1 2 336.479 3.269 20 30 EGEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(o1)c(F)ccc2C ZINC001017760396 1339413499 /nfs/dbraw/zinc/41/34/99/1339413499.db2.gz CMFCSRQUUZQQQL-OKILXGFUSA-N 1 2 328.387 3.355 20 30 EGEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(o1)c(F)ccc2C ZINC001017760396 1339413501 /nfs/dbraw/zinc/41/35/01/1339413501.db2.gz CMFCSRQUUZQQQL-OKILXGFUSA-N 1 2 328.387 3.355 20 30 EGEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)c(Cl)c1F ZINC001017881774 1339438955 /nfs/dbraw/zinc/43/89/55/1339438955.db2.gz CZLXSDGFJMLODE-PHIMTYICSA-N 1 2 326.774 3.093 20 30 EGEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)c(Cl)c1F ZINC001017881774 1339438958 /nfs/dbraw/zinc/43/89/58/1339438958.db2.gz CZLXSDGFJMLODE-PHIMTYICSA-N 1 2 326.774 3.093 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(C)C)nc1CC ZINC001017957046 1339467504 /nfs/dbraw/zinc/46/75/04/1339467504.db2.gz MHHNFTUIYQOCRY-CALCHBBNSA-N 1 2 339.483 3.080 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(C)C)nc1CC ZINC001017957046 1339467507 /nfs/dbraw/zinc/46/75/07/1339467507.db2.gz MHHNFTUIYQOCRY-CALCHBBNSA-N 1 2 339.483 3.080 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)Cc1cccc(C)c1 ZINC001018032186 1339486459 /nfs/dbraw/zinc/48/64/59/1339486459.db2.gz BRTZPHKRGKQMCU-NJYVYQBISA-N 1 2 338.495 3.262 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)Cc1cccc(C)c1 ZINC001018032186 1339486461 /nfs/dbraw/zinc/48/64/61/1339486461.db2.gz BRTZPHKRGKQMCU-NJYVYQBISA-N 1 2 338.495 3.262 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc2ccsc2c1 ZINC001028074269 1340409328 /nfs/dbraw/zinc/40/93/28/1340409328.db2.gz WIPNBMGGCLSZFC-CYBMUJFWSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnc2ccsc2c1 ZINC001028074269 1340409329 /nfs/dbraw/zinc/40/93/29/1340409329.db2.gz WIPNBMGGCLSZFC-CYBMUJFWSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2coc(C3CC3)n2)CC1 ZINC001028116780 1340437779 /nfs/dbraw/zinc/43/77/79/1340437779.db2.gz KAWCZAQHPKAEGJ-SFHVURJKSA-N 1 2 343.471 3.379 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@H+]2Cc2coc(C3CC3)n2)CC1 ZINC001028116780 1340437781 /nfs/dbraw/zinc/43/77/81/1340437781.db2.gz KAWCZAQHPKAEGJ-SFHVURJKSA-N 1 2 343.471 3.379 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001028127956 1340446875 /nfs/dbraw/zinc/44/68/75/1340446875.db2.gz ZBRAHGMEVGWYGR-IIAWOOMASA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001028127956 1340446876 /nfs/dbraw/zinc/44/68/76/1340446876.db2.gz ZBRAHGMEVGWYGR-IIAWOOMASA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)c(F)c1 ZINC001028159866 1340458609 /nfs/dbraw/zinc/45/86/09/1340458609.db2.gz KPBJLXOUKSCVAL-LBPRGKRZSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)c(F)c1 ZINC001028159866 1340458611 /nfs/dbraw/zinc/45/86/11/1340458611.db2.gz KPBJLXOUKSCVAL-LBPRGKRZSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1csc(C(C)C)n1 ZINC001028207019 1340484390 /nfs/dbraw/zinc/48/43/90/1340484390.db2.gz ZGMRSHJAGJZNSU-GFCCVEGCSA-N 1 2 327.881 3.213 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1csc(C(C)C)n1 ZINC001028207019 1340484393 /nfs/dbraw/zinc/48/43/93/1340484393.db2.gz ZGMRSHJAGJZNSU-GFCCVEGCSA-N 1 2 327.881 3.213 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001028244800 1340506917 /nfs/dbraw/zinc/50/69/17/1340506917.db2.gz LGWOQUKBNAQODD-ZIAGYGMSSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001028244800 1340506921 /nfs/dbraw/zinc/50/69/21/1340506921.db2.gz LGWOQUKBNAQODD-ZIAGYGMSSA-N 1 2 341.293 3.056 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)s1 ZINC001028346972 1340587278 /nfs/dbraw/zinc/58/72/78/1340587278.db2.gz KUFRTSHHCDQVJM-OAHLLOKOSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)s1 ZINC001028346972 1340587280 /nfs/dbraw/zinc/58/72/80/1340587280.db2.gz KUFRTSHHCDQVJM-OAHLLOKOSA-N 1 2 343.427 3.153 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)cn2C)CC[C@@H]1C ZINC001071665211 1354837038 /nfs/dbraw/zinc/83/70/38/1354837038.db2.gz BSJZBVAXLIBCIN-AAEUAGOBSA-N 1 2 330.259 3.014 20 30 EGEDLO O=C([C@@H]1CC=CCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029209322 1340955209 /nfs/dbraw/zinc/95/52/09/1340955209.db2.gz SNGJUECWVVQDRZ-NJYVYQBISA-N 1 2 334.463 3.070 20 30 EGEDLO O=C([C@@H]1CC=CCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029209322 1340955210 /nfs/dbraw/zinc/95/52/10/1340955210.db2.gz SNGJUECWVVQDRZ-NJYVYQBISA-N 1 2 334.463 3.070 20 30 EGEDLO O=C(C[C@@H]1C=CCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029355785 1340976395 /nfs/dbraw/zinc/97/63/95/1340976395.db2.gz HPTFIHKSUWOTFK-VSKRKVRLSA-N 1 2 348.490 3.460 20 30 EGEDLO O=C(C[C@@H]1C=CCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029355785 1340976397 /nfs/dbraw/zinc/97/63/97/1340976397.db2.gz HPTFIHKSUWOTFK-VSKRKVRLSA-N 1 2 348.490 3.460 20 30 EGEDLO O=C([C@@H]1CCC[C@@H]2C[C@@H]21)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029368439 1340978598 /nfs/dbraw/zinc/97/85/98/1340978598.db2.gz HDXDLYYUVVELLU-BDHVOXNPSA-N 1 2 348.490 3.150 20 30 EGEDLO O=C([C@@H]1CCC[C@@H]2C[C@@H]21)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029368439 1340978599 /nfs/dbraw/zinc/97/85/99/1340978599.db2.gz HDXDLYYUVVELLU-BDHVOXNPSA-N 1 2 348.490 3.150 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029419531 1340985951 /nfs/dbraw/zinc/98/59/51/1340985951.db2.gz FHRPSBPMVWLZIF-BGYRXZFFSA-N 1 2 336.479 3.316 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029419531 1340985953 /nfs/dbraw/zinc/98/59/53/1340985953.db2.gz FHRPSBPMVWLZIF-BGYRXZFFSA-N 1 2 336.479 3.316 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cnc(C)s2)CC1 ZINC001029454915 1340993990 /nfs/dbraw/zinc/99/39/90/1340993990.db2.gz MLEAMLRNGJGSPE-CALCHBBNSA-N 1 2 345.512 3.373 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cnc(C)s2)CC1 ZINC001029454915 1340993991 /nfs/dbraw/zinc/99/39/91/1340993991.db2.gz MLEAMLRNGJGSPE-CALCHBBNSA-N 1 2 345.512 3.373 20 30 EGEDLO C=CCn1cccc1C(=O)NC1C[NH+](Cc2ccccc2C(C)C)C1 ZINC001030448032 1341188442 /nfs/dbraw/zinc/18/84/42/1341188442.db2.gz YBZNSSGWEYMQBH-UHFFFAOYSA-N 1 2 337.467 3.412 20 30 EGEDLO C#Cc1cncc(C(=O)NC2C[NH+]([C@@H](C)c3ccc(C(C)C)cc3)C2)c1 ZINC001030928251 1341251490 /nfs/dbraw/zinc/25/14/90/1341251490.db2.gz KQUUCOHVSBELBE-INIZCTEOSA-N 1 2 347.462 3.362 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)C1 ZINC001031874248 1341414992 /nfs/dbraw/zinc/41/49/92/1341414992.db2.gz PKVILZZZRDLRAU-IRXDYDNUSA-N 1 2 336.838 3.120 20 30 EGEDLO C[C@H]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001031937812 1341426271 /nfs/dbraw/zinc/42/62/71/1341426271.db2.gz GWGMZMONVISDPD-WMLDXEAASA-N 1 2 343.446 3.072 20 30 EGEDLO C[C@H]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001031939433 1341427070 /nfs/dbraw/zinc/42/70/70/1341427070.db2.gz UARVWBVTUDQXQT-WMLDXEAASA-N 1 2 343.446 3.072 20 30 EGEDLO CC[C@@H]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001032086884 1341451602 /nfs/dbraw/zinc/45/16/02/1341451602.db2.gz CJPGMSKYDUQGGW-YLJYHZDGSA-N 1 2 339.483 3.323 20 30 EGEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC001032145124 1341462894 /nfs/dbraw/zinc/46/28/94/1341462894.db2.gz QNQPENQSWWXQRX-UHFFFAOYSA-N 1 2 338.838 3.053 20 30 EGEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2ccc(C3CC3)cc2)C1 ZINC001032200617 1341471751 /nfs/dbraw/zinc/47/17/51/1341471751.db2.gz CXNDCQWEAFPCBX-UHFFFAOYSA-N 1 2 345.446 3.297 20 30 EGEDLO Cc1ccsc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032251822 1341480439 /nfs/dbraw/zinc/48/04/39/1341480439.db2.gz FYHSSVHQQUBPNW-IRXDYDNUSA-N 1 2 337.448 3.027 20 30 EGEDLO Cc1ccsc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032251822 1341480440 /nfs/dbraw/zinc/48/04/40/1341480440.db2.gz FYHSSVHQQUBPNW-IRXDYDNUSA-N 1 2 337.448 3.027 20 30 EGEDLO CN(C(=O)[C@H]1CC1(C)C)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033014279 1341696244 /nfs/dbraw/zinc/69/62/44/1341696244.db2.gz ASDJDQZPDXBIGZ-DLBZAZTESA-N 1 2 344.886 3.270 20 30 EGEDLO CN(C(=O)[C@H]1CC1(C)C)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033014279 1341696245 /nfs/dbraw/zinc/69/62/45/1341696245.db2.gz ASDJDQZPDXBIGZ-DLBZAZTESA-N 1 2 344.886 3.270 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc3ncccc32)C1 ZINC001033311096 1341777393 /nfs/dbraw/zinc/77/73/93/1341777393.db2.gz DWHHCBIKRHLADZ-CQSZACIVSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3ncccc32)C1 ZINC001033311096 1341777394 /nfs/dbraw/zinc/77/73/94/1341777394.db2.gz DWHHCBIKRHLADZ-CQSZACIVSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2cc3ccccc3o2)C1 ZINC001033314778 1341778089 /nfs/dbraw/zinc/77/80/89/1341778089.db2.gz FONCZZUHARYGRN-OAHLLOKOSA-N 1 2 332.831 3.261 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cc3ccccc3o2)C1 ZINC001033314778 1341778090 /nfs/dbraw/zinc/77/80/90/1341778090.db2.gz FONCZZUHARYGRN-OAHLLOKOSA-N 1 2 332.831 3.261 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2c(C)cc(C)cc2C)C1 ZINC001033380303 1341803333 /nfs/dbraw/zinc/80/33/33/1341803333.db2.gz JDTUFYCGKQNVKN-QGZVFWFLSA-N 1 2 334.891 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c(C)cc(C)cc2C)C1 ZINC001033380303 1341803334 /nfs/dbraw/zinc/80/33/34/1341803334.db2.gz JDTUFYCGKQNVKN-QGZVFWFLSA-N 1 2 334.891 3.440 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC001033400541 1341814277 /nfs/dbraw/zinc/81/42/77/1341814277.db2.gz WVAFAUZLPMFPJM-AWEZNQCLSA-N 1 2 334.410 3.354 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC001033400541 1341814278 /nfs/dbraw/zinc/81/42/78/1341814278.db2.gz WVAFAUZLPMFPJM-AWEZNQCLSA-N 1 2 334.410 3.354 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033401064 1341814463 /nfs/dbraw/zinc/81/44/63/1341814463.db2.gz FRUISKXGEDCHDL-NIKGAXFTSA-N 1 2 343.446 3.166 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033401064 1341814464 /nfs/dbraw/zinc/81/44/64/1341814464.db2.gz FRUISKXGEDCHDL-NIKGAXFTSA-N 1 2 343.446 3.166 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2cccc(F)c2)C1 ZINC001033422754 1341821660 /nfs/dbraw/zinc/82/16/60/1341821660.db2.gz SVTQRZDEBHAFJB-INIZCTEOSA-N 1 2 338.854 3.389 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2cccc(F)c2)C1 ZINC001033422754 1341821662 /nfs/dbraw/zinc/82/16/62/1341821662.db2.gz SVTQRZDEBHAFJB-INIZCTEOSA-N 1 2 338.854 3.389 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001033433973 1341823464 /nfs/dbraw/zinc/82/34/64/1341823464.db2.gz SFWQNMQQHQCCNI-RBSFLKMASA-N 1 2 343.309 3.110 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001033433973 1341823465 /nfs/dbraw/zinc/82/34/65/1341823465.db2.gz SFWQNMQQHQCCNI-RBSFLKMASA-N 1 2 343.309 3.110 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001033460778 1341834333 /nfs/dbraw/zinc/83/43/33/1341834333.db2.gz UDMNMRDOSBCRRE-ROUUACIJSA-N 1 2 332.875 3.077 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001033460778 1341834334 /nfs/dbraw/zinc/83/43/34/1341834334.db2.gz UDMNMRDOSBCRRE-ROUUACIJSA-N 1 2 332.875 3.077 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(OC)cc2Cl)C1 ZINC001033510504 1341852852 /nfs/dbraw/zinc/85/28/52/1341852852.db2.gz RXKXMTHWTGRHGE-LBPRGKRZSA-N 1 2 343.254 3.247 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(OC)cc2Cl)C1 ZINC001033510504 1341852853 /nfs/dbraw/zinc/85/28/53/1341852853.db2.gz RXKXMTHWTGRHGE-LBPRGKRZSA-N 1 2 343.254 3.247 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC3(CCC3)CO2)C1 ZINC001033603847 1341894537 /nfs/dbraw/zinc/89/45/37/1341894537.db2.gz WGELPIMVBXBPHZ-CVEARBPZSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC3(CCC3)CO2)C1 ZINC001033603847 1341894542 /nfs/dbraw/zinc/89/45/42/1341894542.db2.gz WGELPIMVBXBPHZ-CVEARBPZSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2coc3ccc(F)cc23)C1 ZINC001033622842 1341907008 /nfs/dbraw/zinc/90/70/08/1341907008.db2.gz AUUWLBWEGXYVRJ-CYBMUJFWSA-N 1 2 336.794 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2coc3ccc(F)cc23)C1 ZINC001033622842 1341907010 /nfs/dbraw/zinc/90/70/10/1341907010.db2.gz AUUWLBWEGXYVRJ-CYBMUJFWSA-N 1 2 336.794 3.471 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2(c3ccccc3OC)CC2)C1 ZINC001033701524 1341967051 /nfs/dbraw/zinc/96/70/51/1341967051.db2.gz HEEBMMRTKWSQFZ-HNNXBMFYSA-N 1 2 348.874 3.012 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2(c3ccccc3OC)CC2)C1 ZINC001033701524 1341967052 /nfs/dbraw/zinc/96/70/52/1341967052.db2.gz HEEBMMRTKWSQFZ-HNNXBMFYSA-N 1 2 348.874 3.012 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2nc(Cl)sc2C)C1 ZINC001033896262 1342067923 /nfs/dbraw/zinc/06/79/23/1342067923.db2.gz YYPUSNYSXSLQMV-NSHDSACASA-N 1 2 348.299 3.394 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2nc(Cl)sc2C)C1 ZINC001033896262 1342067926 /nfs/dbraw/zinc/06/79/26/1342067926.db2.gz YYPUSNYSXSLQMV-NSHDSACASA-N 1 2 348.299 3.394 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c(c2)CCOC3)C1 ZINC001033899875 1342071279 /nfs/dbraw/zinc/07/12/79/1342071279.db2.gz IRIIPHXJXUZWFS-GOSISDBHSA-N 1 2 348.874 3.048 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c(c2)CCOC3)C1 ZINC001033899875 1342071283 /nfs/dbraw/zinc/07/12/83/1342071283.db2.gz IRIIPHXJXUZWFS-GOSISDBHSA-N 1 2 348.874 3.048 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@H+](Cc3nccs3)C2)CC1 ZINC001033945550 1342106645 /nfs/dbraw/zinc/10/66/45/1342106645.db2.gz NPOMBYVVBZVBCC-INIZCTEOSA-N 1 2 333.501 3.312 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](Cc3nccs3)C2)CC1 ZINC001033945550 1342106646 /nfs/dbraw/zinc/10/66/46/1342106646.db2.gz NPOMBYVVBZVBCC-INIZCTEOSA-N 1 2 333.501 3.312 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2oc(CCC)nc2C)C1 ZINC001034013216 1342150132 /nfs/dbraw/zinc/15/01/32/1342150132.db2.gz LQZLMRMUXGGJTD-CQSZACIVSA-N 1 2 339.867 3.224 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2oc(CCC)nc2C)C1 ZINC001034013216 1342150136 /nfs/dbraw/zinc/15/01/36/1342150136.db2.gz LQZLMRMUXGGJTD-CQSZACIVSA-N 1 2 339.867 3.224 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc3c2CCC3)C1 ZINC001034050964 1342192835 /nfs/dbraw/zinc/19/28/35/1342192835.db2.gz KAOYFXUXWOXLOB-MRXNPFEDSA-N 1 2 332.875 3.464 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc3c2CCC3)C1 ZINC001034050964 1342192837 /nfs/dbraw/zinc/19/28/37/1342192837.db2.gz KAOYFXUXWOXLOB-MRXNPFEDSA-N 1 2 332.875 3.464 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@H](NC(=O)c3ccoc3)C2)c1 ZINC001034106651 1342243532 /nfs/dbraw/zinc/24/35/32/1342243532.db2.gz NMZQUPZAEORGEB-KRWDZBQOSA-N 1 2 341.386 3.075 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@H](NC(=O)c3ccoc3)C2)c1 ZINC001034106651 1342243537 /nfs/dbraw/zinc/24/35/37/1342243537.db2.gz NMZQUPZAEORGEB-KRWDZBQOSA-N 1 2 341.386 3.075 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@@H](NC(=O)C2=CCCC2)C1 ZINC001034157701 1342280467 /nfs/dbraw/zinc/28/04/67/1342280467.db2.gz CUYJCYSGZCSQNR-LJQANCHMSA-N 1 2 341.430 3.278 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H](NC(=O)C2=CCCC2)C1 ZINC001034157701 1342280468 /nfs/dbraw/zinc/28/04/68/1342280468.db2.gz CUYJCYSGZCSQNR-LJQANCHMSA-N 1 2 341.430 3.278 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001034390281 1342459241 /nfs/dbraw/zinc/45/92/41/1342459241.db2.gz YIWHDTXIYFTVJX-AWEZNQCLSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001034390281 1342459245 /nfs/dbraw/zinc/45/92/45/1342459245.db2.gz YIWHDTXIYFTVJX-AWEZNQCLSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cccc(F)c2F)C1 ZINC001034368525 1342438701 /nfs/dbraw/zinc/43/87/01/1342438701.db2.gz KWYALGWGAANFTE-LBPRGKRZSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cccc(F)c2F)C1 ZINC001034368525 1342438705 /nfs/dbraw/zinc/43/87/05/1342438705.db2.gz KWYALGWGAANFTE-LBPRGKRZSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cc(F)c(F)cc2F)C1 ZINC001034372801 1342441403 /nfs/dbraw/zinc/44/14/03/1342441403.db2.gz PAQBOZRAMSCZJL-NSHDSACASA-N 1 2 346.780 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cc(F)c(F)cc2F)C1 ZINC001034372801 1342441406 /nfs/dbraw/zinc/44/14/06/1342441406.db2.gz PAQBOZRAMSCZJL-NSHDSACASA-N 1 2 346.780 3.441 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cccc(OCC)c2)C1 ZINC001034417629 1342479361 /nfs/dbraw/zinc/47/93/61/1342479361.db2.gz UQSSQCOPEVFPIN-MRXNPFEDSA-N 1 2 336.863 3.422 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(OCC)c2)C1 ZINC001034417629 1342479363 /nfs/dbraw/zinc/47/93/63/1342479363.db2.gz UQSSQCOPEVFPIN-MRXNPFEDSA-N 1 2 336.863 3.422 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3ccccc3O2)C1 ZINC001034446603 1342507372 /nfs/dbraw/zinc/50/73/72/1342507372.db2.gz UXXMAOJQKLFBJL-FUHWJXTLSA-N 1 2 348.874 3.103 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3ccccc3O2)C1 ZINC001034446603 1342507375 /nfs/dbraw/zinc/50/73/75/1342507375.db2.gz UXXMAOJQKLFBJL-FUHWJXTLSA-N 1 2 348.874 3.103 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(C)cc2OC)C1 ZINC001034492934 1342548837 /nfs/dbraw/zinc/54/88/37/1342548837.db2.gz DECQRWSFLKJLHX-HNNXBMFYSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C)cc2OC)C1 ZINC001034492934 1342548840 /nfs/dbraw/zinc/54/88/40/1342548840.db2.gz DECQRWSFLKJLHX-HNNXBMFYSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001035010483 1342874174 /nfs/dbraw/zinc/87/41/74/1342874174.db2.gz AOVUWNOVQMWAIH-CQSZACIVSA-N 1 2 348.491 3.050 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C(C)(C)C)no1 ZINC001035011799 1342875291 /nfs/dbraw/zinc/87/52/91/1342875291.db2.gz KCTCMDPLBRFFAB-CQSZACIVSA-N 1 2 348.491 3.050 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc3cc(Cl)ccc3o2)C1 ZINC001035439439 1343092317 /nfs/dbraw/zinc/09/23/17/1343092317.db2.gz PLFNAEDWFKHIQO-OAHLLOKOSA-N 1 2 348.830 3.093 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc3cc(Cl)ccc3o2)C1 ZINC001035439439 1343092321 /nfs/dbraw/zinc/09/23/21/1343092321.db2.gz PLFNAEDWFKHIQO-OAHLLOKOSA-N 1 2 348.830 3.093 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c(CC)oc3ccccc32)C1 ZINC001035617308 1343101995 /nfs/dbraw/zinc/10/19/95/1343101995.db2.gz RJWJBEZQKOFKAO-OAHLLOKOSA-N 1 2 342.439 3.002 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2c(CC)oc3ccccc32)C1 ZINC001035617308 1343101996 /nfs/dbraw/zinc/10/19/96/1343101996.db2.gz RJWJBEZQKOFKAO-OAHLLOKOSA-N 1 2 342.439 3.002 20 30 EGEDLO CC(C)CC(=O)N1CCC2(C[NH+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001035639912 1343113627 /nfs/dbraw/zinc/11/36/27/1343113627.db2.gz PEBATSSKIVQQIU-UHFFFAOYSA-N 1 2 343.446 3.168 20 30 EGEDLO C[C@H](C#N)C(=O)N1CCC2(C[NH+](Cc3cccc(F)c3Cl)C2)CC1 ZINC001035670418 1343130440 /nfs/dbraw/zinc/13/04/40/1343130440.db2.gz FUFZUVKTBSCYQQ-CYBMUJFWSA-N 1 2 349.837 3.063 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H](F)C1)CC2 ZINC001035705810 1343143627 /nfs/dbraw/zinc/14/36/27/1343143627.db2.gz BUEZEXHASWTVGG-LSDHHAIUSA-N 1 2 328.859 3.192 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1c(C)onc1C1CC1)CC2 ZINC001035750292 1343169518 /nfs/dbraw/zinc/16/95/18/1343169518.db2.gz BKJGNJMUDLNZIN-UHFFFAOYSA-N 1 2 349.862 3.151 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC2(C[NH+]([C@@H](C)c3ncccn3)C2)CC1 ZINC001035766902 1343179117 /nfs/dbraw/zinc/17/91/17/1343179117.db2.gz LRWVOUWEDXXLCY-INIZCTEOSA-N 1 2 342.487 3.064 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CCCC1(F)F)CC2 ZINC001035777014 1343187762 /nfs/dbraw/zinc/18/77/62/1343187762.db2.gz XMSCUCYNBLTGFC-AWEZNQCLSA-N 1 2 346.849 3.489 20 30 EGEDLO C=C1CCC(C(=O)N2CCC3(C[NH+](Cc4nccs4)C3)CC2)CC1 ZINC001035788179 1343200208 /nfs/dbraw/zinc/20/02/08/1343200208.db2.gz XJARMTLVSSLSDE-UHFFFAOYSA-N 1 2 345.512 3.314 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H](C)c1ccccc1)CC2 ZINC001035839770 1343222400 /nfs/dbraw/zinc/22/24/00/1343222400.db2.gz ZMFLKFRBEJUXRA-MRXNPFEDSA-N 1 2 332.875 3.467 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cccc(N(C)C)c1)CC2 ZINC001035841683 1343223825 /nfs/dbraw/zinc/22/38/25/1343223825.db2.gz HNSRRNTXVQOBOG-UHFFFAOYSA-N 1 2 347.890 3.043 20 30 EGEDLO CC1=C(C)C[C@@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)CC1 ZINC001038285441 1344358178 /nfs/dbraw/zinc/35/81/78/1344358178.db2.gz DHCIRBOSGWAOJV-JKSUJKDBSA-N 1 2 343.496 3.447 20 30 EGEDLO CC1=C(C)C[C@@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)CC1 ZINC001038285441 1344358181 /nfs/dbraw/zinc/35/81/81/1344358181.db2.gz DHCIRBOSGWAOJV-JKSUJKDBSA-N 1 2 343.496 3.447 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2sccc2Cl)c1 ZINC001038290559 1344362703 /nfs/dbraw/zinc/36/27/03/1344362703.db2.gz UPKITBABSCCSDI-AWEZNQCLSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2sccc2Cl)c1 ZINC001038290559 1344362704 /nfs/dbraw/zinc/36/27/04/1344362704.db2.gz UPKITBABSCCSDI-AWEZNQCLSA-N 1 2 345.855 3.277 20 30 EGEDLO Cc1cc(C)c(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)s1 ZINC001038300531 1344370049 /nfs/dbraw/zinc/37/00/49/1344370049.db2.gz MMCYMOZNECTMQB-QGZVFWFLSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1cc(C)c(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)s1 ZINC001038300531 1344370050 /nfs/dbraw/zinc/37/00/50/1344370050.db2.gz MMCYMOZNECTMQB-QGZVFWFLSA-N 1 2 339.464 3.241 20 30 EGEDLO CC(C)c1cccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)n1 ZINC001038473437 1344440523 /nfs/dbraw/zinc/44/05/23/1344440523.db2.gz NGRPUAQAACCJNP-GOSISDBHSA-N 1 2 348.450 3.081 20 30 EGEDLO CC(C)c1cccc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)n1 ZINC001038473437 1344440525 /nfs/dbraw/zinc/44/05/25/1344440525.db2.gz NGRPUAQAACCJNP-GOSISDBHSA-N 1 2 348.450 3.081 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccc3cc[nH]c3c2)c1 ZINC001038747345 1344565275 /nfs/dbraw/zinc/56/52/75/1344565275.db2.gz JKZNWXFLJOXWEU-IBGZPJMESA-N 1 2 344.418 3.044 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccc3cc[nH]c3c2)c1 ZINC001038747345 1344565278 /nfs/dbraw/zinc/56/52/78/1344565278.db2.gz JKZNWXFLJOXWEU-IBGZPJMESA-N 1 2 344.418 3.044 20 30 EGEDLO CCc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)cc1 ZINC001038974895 1344689770 /nfs/dbraw/zinc/68/97/70/1344689770.db2.gz ZDLGXERJIWGJRG-NRFANRHFSA-N 1 2 332.447 3.105 20 30 EGEDLO CCc1ccc(C(=O)NC[C@@H]2CC[N@H+]2CC#Cc2ccccc2)cc1 ZINC001038974895 1344689772 /nfs/dbraw/zinc/68/97/72/1344689772.db2.gz ZDLGXERJIWGJRG-NRFANRHFSA-N 1 2 332.447 3.105 20 30 EGEDLO Cc1cc(C)c(C(=O)NC[C@H]2CC[N@@H+]2CC#Cc2ccccc2)c(C)c1 ZINC001039002627 1344709969 /nfs/dbraw/zinc/70/99/69/1344709969.db2.gz ZGNFDNGVDHZLCQ-OAQYLSRUSA-N 1 2 346.474 3.468 20 30 EGEDLO Cc1cc(C)c(C(=O)NC[C@H]2CC[N@H+]2CC#Cc2ccccc2)c(C)c1 ZINC001039002627 1344709971 /nfs/dbraw/zinc/70/99/71/1344709971.db2.gz ZGNFDNGVDHZLCQ-OAQYLSRUSA-N 1 2 346.474 3.468 20 30 EGEDLO Cc1cc(C)c(C(=O)NC[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)c(C)c1 ZINC001039002625 1344710399 /nfs/dbraw/zinc/71/03/99/1344710399.db2.gz ZGNFDNGVDHZLCQ-NRFANRHFSA-N 1 2 346.474 3.468 20 30 EGEDLO Cc1cc(C)c(C(=O)NC[C@@H]2CC[N@H+]2CC#Cc2ccccc2)c(C)c1 ZINC001039002625 1344710402 /nfs/dbraw/zinc/71/04/02/1344710402.db2.gz ZGNFDNGVDHZLCQ-NRFANRHFSA-N 1 2 346.474 3.468 20 30 EGEDLO Cc1cc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)sc1C ZINC001039004600 1344711185 /nfs/dbraw/zinc/71/11/85/1344711185.db2.gz GRRSCQZWLUHNON-QGZVFWFLSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1cc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)sc1C ZINC001039004600 1344711187 /nfs/dbraw/zinc/71/11/87/1344711187.db2.gz GRRSCQZWLUHNON-QGZVFWFLSA-N 1 2 339.464 3.241 20 30 EGEDLO CCc1ccsc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001039044993 1344732052 /nfs/dbraw/zinc/73/20/52/1344732052.db2.gz CPVFRJUDLSKGPB-KRWDZBQOSA-N 1 2 339.464 3.186 20 30 EGEDLO CCc1ccsc1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001039044993 1344732055 /nfs/dbraw/zinc/73/20/55/1344732055.db2.gz CPVFRJUDLSKGPB-KRWDZBQOSA-N 1 2 339.464 3.186 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)c1cccnc1 ZINC001039447437 1345071819 /nfs/dbraw/zinc/07/18/19/1345071819.db2.gz MVIWBFUDXQLZPX-QGTPRVQTSA-N 1 2 347.890 3.393 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)c1cccnc1 ZINC001039447437 1345071822 /nfs/dbraw/zinc/07/18/22/1345071822.db2.gz MVIWBFUDXQLZPX-QGTPRVQTSA-N 1 2 347.890 3.393 20 30 EGEDLO Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccc(C#N)cc2)co1 ZINC001039558919 1345141478 /nfs/dbraw/zinc/14/14/78/1345141478.db2.gz AOPDJKPTDUZNMR-BGYRXZFFSA-N 1 2 349.434 3.339 20 30 EGEDLO Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)cc2)co1 ZINC001039558919 1345141479 /nfs/dbraw/zinc/14/14/79/1345141479.db2.gz AOPDJKPTDUZNMR-BGYRXZFFSA-N 1 2 349.434 3.339 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1oc(CC)nc1C ZINC001039820984 1345199512 /nfs/dbraw/zinc/19/95/12/1345199512.db2.gz NGDKFWNSVAREFU-IYBDPMFKSA-N 1 2 345.487 3.323 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1oc(CC)nc1C ZINC001039820984 1345199513 /nfs/dbraw/zinc/19/95/13/1345199513.db2.gz NGDKFWNSVAREFU-IYBDPMFKSA-N 1 2 345.487 3.323 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(C)nc1C ZINC001039827714 1345201701 /nfs/dbraw/zinc/20/17/01/1345201701.db2.gz RVJRRDSJXKBMSF-KDURUIRLSA-N 1 2 341.499 3.476 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(C)nc1C ZINC001039827714 1345201703 /nfs/dbraw/zinc/20/17/03/1345201703.db2.gz RVJRRDSJXKBMSF-KDURUIRLSA-N 1 2 341.499 3.476 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ncccc2C)C1 ZINC001039906187 1345243411 /nfs/dbraw/zinc/24/34/11/1345243411.db2.gz IJARHPJKSOQOER-HDICACEKSA-N 1 2 339.483 3.312 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ncccc2C)C1 ZINC001039906187 1345243418 /nfs/dbraw/zinc/24/34/18/1345243418.db2.gz IJARHPJKSOQOER-HDICACEKSA-N 1 2 339.483 3.312 20 30 EGEDLO C#Cc1ccccc1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H](F)CC ZINC001039983315 1345279647 /nfs/dbraw/zinc/27/96/47/1345279647.db2.gz DGSSSVVIKNXIEX-SLFFLAALSA-N 1 2 342.458 3.024 20 30 EGEDLO C#Cc1ccccc1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H](F)CC ZINC001039983315 1345279651 /nfs/dbraw/zinc/27/96/51/1345279651.db2.gz DGSSSVVIKNXIEX-SLFFLAALSA-N 1 2 342.458 3.024 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1cccs1 ZINC001079376893 1357239055 /nfs/dbraw/zinc/23/90/55/1357239055.db2.gz PPPRCXFBQNIKQD-MLGOLLRUSA-N 1 2 343.427 3.009 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1cccs1 ZINC001079376893 1357239057 /nfs/dbraw/zinc/23/90/57/1357239057.db2.gz PPPRCXFBQNIKQD-MLGOLLRUSA-N 1 2 343.427 3.009 20 30 EGEDLO C=C(C)CC[NH+]1CCC2(CCN(C(=O)C(F)C(F)(F)F)C2)CC1 ZINC001040709933 1345568589 /nfs/dbraw/zinc/56/85/89/1345568589.db2.gz HIQFCDRSGXFMBO-CYBMUJFWSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H](F)C(F)(F)F)C2)CC1 ZINC001040709933 1345568590 /nfs/dbraw/zinc/56/85/90/1345568590.db2.gz HIQFCDRSGXFMBO-CYBMUJFWSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(OC)cs3)C[C@H]21 ZINC001042180972 1345968453 /nfs/dbraw/zinc/96/84/53/1345968453.db2.gz BGJOGAGYPQMNAG-GXTWGEPZSA-N 1 2 340.876 3.046 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(OC)cs3)C[C@H]21 ZINC001042180972 1345968457 /nfs/dbraw/zinc/96/84/57/1345968457.db2.gz BGJOGAGYPQMNAG-GXTWGEPZSA-N 1 2 340.876 3.046 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3nc(Cl)cs3)C[C@H]21 ZINC001042196768 1345979415 /nfs/dbraw/zinc/97/94/15/1345979415.db2.gz RDZLOOFIKZCZJL-WDEREUQCSA-N 1 2 346.283 3.085 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3nc(Cl)cs3)C[C@H]21 ZINC001042196768 1345979417 /nfs/dbraw/zinc/97/94/17/1345979417.db2.gz RDZLOOFIKZCZJL-WDEREUQCSA-N 1 2 346.283 3.085 20 30 EGEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1C[NH+](Cc2ccc(C3CCC3)cc2)C1 ZINC001042589477 1346093037 /nfs/dbraw/zinc/09/30/37/1346093037.db2.gz HAENHESVAVNVEC-UHFFFAOYSA-N 1 2 348.450 3.110 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nccs1 ZINC001045825114 1346709384 /nfs/dbraw/zinc/70/93/84/1346709384.db2.gz PKUMISMWZPIKKZ-CABCVRRESA-N 1 2 333.501 3.311 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1nccs1 ZINC001045825114 1346709389 /nfs/dbraw/zinc/70/93/89/1346709389.db2.gz PKUMISMWZPIKKZ-CABCVRRESA-N 1 2 333.501 3.311 20 30 EGEDLO C[C@]1(NC(=O)c2ccco2)CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001046106693 1346846068 /nfs/dbraw/zinc/84/60/68/1346846068.db2.gz XNVUHIOIEDOGPC-IBGZPJMESA-N 1 2 342.826 3.179 20 30 EGEDLO C[C@]1(NC(=O)c2ccco2)CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001046106693 1346846070 /nfs/dbraw/zinc/84/60/70/1346846070.db2.gz XNVUHIOIEDOGPC-IBGZPJMESA-N 1 2 342.826 3.179 20 30 EGEDLO C[C@@]1(NC(=O)[C@H]2CC=CCC2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046137798 1346863776 /nfs/dbraw/zinc/86/37/76/1346863776.db2.gz OPPGWQMROMDEAR-MGPUTAFESA-N 1 2 341.430 3.134 20 30 EGEDLO C[C@@]1(NC(=O)[C@H]2CC=CCC2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046137798 1346863779 /nfs/dbraw/zinc/86/37/79/1346863779.db2.gz OPPGWQMROMDEAR-MGPUTAFESA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(-c3ccncc3)o2)C1 ZINC001046373848 1346953286 /nfs/dbraw/zinc/95/32/86/1346953286.db2.gz FCFVYYNWIVMKIQ-SFHVURJKSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(-c3ccncc3)o2)C1 ZINC001046373848 1346953290 /nfs/dbraw/zinc/95/32/90/1346953290.db2.gz FCFVYYNWIVMKIQ-SFHVURJKSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3ccc(OC)cc32)C1 ZINC001046386404 1346958111 /nfs/dbraw/zinc/95/81/11/1346958111.db2.gz FRTNSKUGNVPDCR-QFBILLFUSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3ccc(OC)cc32)C1 ZINC001046386404 1346958112 /nfs/dbraw/zinc/95/81/12/1346958112.db2.gz FRTNSKUGNVPDCR-QFBILLFUSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cccc3ccc(C)nc32)C1 ZINC001046411937 1346966368 /nfs/dbraw/zinc/96/63/68/1346966368.db2.gz ZSYGDWGJPQOQED-LJQANCHMSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cccc3ccc(C)nc32)C1 ZINC001046411937 1346966372 /nfs/dbraw/zinc/96/63/72/1346966372.db2.gz ZSYGDWGJPQOQED-LJQANCHMSA-N 1 2 343.858 3.490 20 30 EGEDLO C=CCOc1ccc(C(=O)N[C@@]2(C)CC[N@H+](CC(=C)Cl)C2)cc1 ZINC001046429443 1346973494 /nfs/dbraw/zinc/97/34/94/1346973494.db2.gz RUYDMWQLJJIPSJ-SFHVURJKSA-N 1 2 334.847 3.198 20 30 EGEDLO C=CCOc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](CC(=C)Cl)C2)cc1 ZINC001046429443 1346973497 /nfs/dbraw/zinc/97/34/97/1346973497.db2.gz RUYDMWQLJJIPSJ-SFHVURJKSA-N 1 2 334.847 3.198 20 30 EGEDLO C=C1CCC(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H](C)c3nc(CC)no3)C2)CC1 ZINC001046599727 1347033229 /nfs/dbraw/zinc/03/32/29/1347033229.db2.gz YLXXVOCIOKSIBV-LIRRHRJNSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CCC(C(=O)N[C@@]2(C)CC[N@H+]([C@@H](C)c3nc(CC)no3)C2)CC1 ZINC001046599727 1347033231 /nfs/dbraw/zinc/03/32/31/1347033231.db2.gz YLXXVOCIOKSIBV-LIRRHRJNSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc3ncsc3c2)C1 ZINC001046815799 1347116396 /nfs/dbraw/zinc/11/63/96/1347116396.db2.gz CJTWJZCPRQLZFW-MRXNPFEDSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3ncsc3c2)C1 ZINC001046815799 1347116398 /nfs/dbraw/zinc/11/63/98/1347116398.db2.gz CJTWJZCPRQLZFW-MRXNPFEDSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(Cl)cn2CC)C1 ZINC001046843035 1347127520 /nfs/dbraw/zinc/12/75/20/1347127520.db2.gz PZYINHGBMWTQAP-HNNXBMFYSA-N 1 2 330.259 3.108 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(Cl)cn2CC)C1 ZINC001046843035 1347127521 /nfs/dbraw/zinc/12/75/21/1347127521.db2.gz PZYINHGBMWTQAP-HNNXBMFYSA-N 1 2 330.259 3.108 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001046963951 1347168098 /nfs/dbraw/zinc/16/80/98/1347168098.db2.gz KIJKNEDAFKULFS-STQMWFEESA-N 1 2 334.838 3.249 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001046963951 1347168100 /nfs/dbraw/zinc/16/81/00/1347168100.db2.gz KIJKNEDAFKULFS-STQMWFEESA-N 1 2 334.838 3.249 20 30 EGEDLO CCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001049280238 1347767320 /nfs/dbraw/zinc/76/73/20/1347767320.db2.gz SLQZNKVSAVYMNJ-ROUUACIJSA-N 1 2 329.419 3.063 20 30 EGEDLO CCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001049280238 1347767321 /nfs/dbraw/zinc/76/73/21/1347767321.db2.gz SLQZNKVSAVYMNJ-ROUUACIJSA-N 1 2 329.419 3.063 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1coc(C2CCC2)n1 ZINC001049845719 1348055167 /nfs/dbraw/zinc/05/51/67/1348055167.db2.gz YYNUIKUXYCPLGN-HOTGVXAUSA-N 1 2 349.862 3.374 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1coc(C2CCC2)n1 ZINC001049845719 1348055170 /nfs/dbraw/zinc/05/51/70/1348055170.db2.gz YYNUIKUXYCPLGN-HOTGVXAUSA-N 1 2 349.862 3.374 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)c3oc(CC)cc3C)[C@@H]2C1 ZINC001050183740 1348205168 /nfs/dbraw/zinc/20/51/68/1348205168.db2.gz PKYLPKIKPPVVKY-GOEBONIOSA-N 1 2 336.863 3.439 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3oc(CC)cc3C)[C@@H]2C1 ZINC001050183740 1348205171 /nfs/dbraw/zinc/20/51/71/1348205171.db2.gz PKYLPKIKPPVVKY-GOEBONIOSA-N 1 2 336.863 3.439 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC2(C1)CC[NH+]([C@H](C)c1csnn1)CC2 ZINC001050616518 1348303850 /nfs/dbraw/zinc/30/38/50/1348303850.db2.gz BFYIKPBVGJOWEF-CQSZACIVSA-N 1 2 348.516 3.126 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cccc(Cl)c1Cl ZINC001051219541 1348404603 /nfs/dbraw/zinc/40/46/03/1348404603.db2.gz QYETZGYHRLAHJQ-GFCCVEGCSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc(Cl)c1Cl ZINC001051219541 1348404605 /nfs/dbraw/zinc/40/46/05/1348404605.db2.gz QYETZGYHRLAHJQ-GFCCVEGCSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Cl)cc1Cl ZINC001051219924 1348405070 /nfs/dbraw/zinc/40/50/70/1348405070.db2.gz ABISEXRQRQQKQZ-ZDUSSCGKSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Cl)cc1Cl ZINC001051219924 1348405071 /nfs/dbraw/zinc/40/50/71/1348405071.db2.gz ABISEXRQRQQKQZ-ZDUSSCGKSA-N 1 2 343.254 3.000 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCOC2(C[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC001053412640 1349023779 /nfs/dbraw/zinc/02/37/79/1349023779.db2.gz ZBUSOYZILLGRQU-YLJYHZDGSA-N 1 2 342.483 3.263 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C)cc(Cl)c1)O2 ZINC001053629456 1349081600 /nfs/dbraw/zinc/08/16/00/1349081600.db2.gz QFJSSDIJEVAVMB-KRWDZBQOSA-N 1 2 348.874 3.188 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCC(C)(C)C1)O2 ZINC001053701772 1349098836 /nfs/dbraw/zinc/09/88/36/1349098836.db2.gz FKYZQGVLXABJOR-SJORKVTESA-N 1 2 334.504 3.129 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1csc3ccccc13)CO2 ZINC001053885065 1349120911 /nfs/dbraw/zinc/12/09/11/1349120911.db2.gz CWYAXGBBOHKMFV-CQSZACIVSA-N 1 2 342.464 3.051 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)CO2 ZINC001053990885 1349128917 /nfs/dbraw/zinc/12/89/17/1349128917.db2.gz KMIVPDWUCLIBGQ-SFHVURJKSA-N 1 2 342.483 3.133 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc2ccsc2[nH]1 ZINC001054049388 1349138495 /nfs/dbraw/zinc/13/84/95/1349138495.db2.gz WJYNUTLFIUGEBZ-KRWDZBQOSA-N 1 2 349.459 3.019 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc2ccsc2[nH]1 ZINC001054049388 1349138497 /nfs/dbraw/zinc/13/84/97/1349138497.db2.gz WJYNUTLFIUGEBZ-KRWDZBQOSA-N 1 2 349.459 3.019 20 30 EGEDLO C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c(Cl)[nH]nc1C1CC1)C2 ZINC001054142745 1349153009 /nfs/dbraw/zinc/15/30/09/1349153009.db2.gz HRDLNBXZTLFWOJ-GOSISDBHSA-N 1 2 348.878 3.055 20 30 EGEDLO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c(Cl)[nH]nc1C1CC1)C2 ZINC001054142745 1349153013 /nfs/dbraw/zinc/15/30/13/1349153013.db2.gz HRDLNBXZTLFWOJ-GOSISDBHSA-N 1 2 348.878 3.055 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cccc4c3CCCC4)cc2C1 ZINC001054266074 1349263914 /nfs/dbraw/zinc/26/39/14/1349263914.db2.gz LNDRJTAONSRMNP-UHFFFAOYSA-N 1 2 344.458 3.444 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cccc4c3CCCC4)cc2C1 ZINC001054266074 1349263920 /nfs/dbraw/zinc/26/39/20/1349263920.db2.gz LNDRJTAONSRMNP-UHFFFAOYSA-N 1 2 344.458 3.444 20 30 EGEDLO C=CC[N@H+]1Cc2ccc(CNC(=O)c3[nH]nc(CC)c3Cl)cc2C1 ZINC001054268121 1349266127 /nfs/dbraw/zinc/26/61/27/1349266127.db2.gz RHRSKWQUBKPUDX-UHFFFAOYSA-N 1 2 344.846 3.057 20 30 EGEDLO C=CC[N@@H+]1Cc2ccc(CNC(=O)c3[nH]nc(CC)c3Cl)cc2C1 ZINC001054268121 1349266130 /nfs/dbraw/zinc/26/61/30/1349266130.db2.gz RHRSKWQUBKPUDX-UHFFFAOYSA-N 1 2 344.846 3.057 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccccc3OCC=C)cc2C1 ZINC001054271905 1349270733 /nfs/dbraw/zinc/27/07/33/1349270733.db2.gz WXSAHQGUWAREGR-UHFFFAOYSA-N 1 2 346.430 3.130 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccccc3OCC=C)cc2C1 ZINC001054271905 1349270736 /nfs/dbraw/zinc/27/07/36/1349270736.db2.gz WXSAHQGUWAREGR-UHFFFAOYSA-N 1 2 346.430 3.130 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc4c(c3)[C@@H](C)CO4)cc2C1 ZINC001054278365 1349279002 /nfs/dbraw/zinc/27/90/02/1349279002.db2.gz XXUCRSMCKPQICW-HNNXBMFYSA-N 1 2 346.430 3.061 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc4c(c3)[C@@H](C)CO4)cc2C1 ZINC001054278365 1349279004 /nfs/dbraw/zinc/27/90/04/1349279004.db2.gz XXUCRSMCKPQICW-HNNXBMFYSA-N 1 2 346.430 3.061 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@@H](CNc2cc(C)[nH+]c(C3CC3)n2)[C@H](C)C1 ZINC001054508201 1349378688 /nfs/dbraw/zinc/37/86/88/1349378688.db2.gz QAASNUJXHCTLMC-CZUORRHYSA-N 1 2 342.487 3.381 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@@H]3CC[C@H](Nc4cc[nH+]c(C)n4)[C@@H]3C2)CC1 ZINC001060550583 1350969106 /nfs/dbraw/zinc/96/91/06/1350969106.db2.gz RHGWTGCHFHDMLM-KSZLIROESA-N 1 2 340.471 3.180 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCC[C@@H](Nc3cc[nH+]c(C)n3)C2)CC1 ZINC001061129712 1351295449 /nfs/dbraw/zinc/29/54/49/1351295449.db2.gz DGUSQYZEFOHYSG-IAGOWNOFSA-N 1 2 328.460 3.371 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ncc(C(C)C)o3)C[C@H]2C)CC1 ZINC001080392410 1357602618 /nfs/dbraw/zinc/60/26/18/1357602618.db2.gz CLZVYTCIWWIWFK-NVXWUHKLSA-N 1 2 345.487 3.481 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ncc(C(C)C)o3)C[C@H]2C)CC1 ZINC001080392410 1357602621 /nfs/dbraw/zinc/60/26/21/1357602621.db2.gz CLZVYTCIWWIWFK-NVXWUHKLSA-N 1 2 345.487 3.481 20 30 EGEDLO Cc1cc(N[C@@H]2CCN(C(=O)C#CC3CC3)[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC001064769066 1352688594 /nfs/dbraw/zinc/68/85/94/1352688594.db2.gz LAVFDRWCLUKSTO-NVXWUHKLSA-N 1 2 340.471 3.113 20 30 EGEDLO C=C(C)CC[N@@H+]1Cc2cnn(C3CCN(C(=O)C=C(C)C)CC3)c2C1 ZINC001070341311 1354323769 /nfs/dbraw/zinc/32/37/69/1354323769.db2.gz CIVKIDFGOQGBED-UHFFFAOYSA-N 1 2 342.487 3.295 20 30 EGEDLO C=C(C)CC[N@H+]1Cc2cnn(C3CCN(C(=O)C=C(C)C)CC3)c2C1 ZINC001070341311 1354323774 /nfs/dbraw/zinc/32/37/74/1354323774.db2.gz CIVKIDFGOQGBED-UHFFFAOYSA-N 1 2 342.487 3.295 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccccc1C)C[C@H](C)O2 ZINC001071129768 1354468508 /nfs/dbraw/zinc/46/85/08/1354468508.db2.gz QXJOAFQIDDURAR-LPHOPBHVSA-N 1 2 348.874 3.053 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccccc1C)C[C@H](C)O2 ZINC001071129768 1354468511 /nfs/dbraw/zinc/46/85/11/1354468511.db2.gz QXJOAFQIDDURAR-LPHOPBHVSA-N 1 2 348.874 3.053 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)CCC1CCC1)C[C@H](C)O2 ZINC001071154291 1354479606 /nfs/dbraw/zinc/47/96/06/1354479606.db2.gz HJODYRCRGPLHJB-YJBOKZPZSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CCC1CCC1)C[C@H](C)O2 ZINC001071154291 1354479608 /nfs/dbraw/zinc/47/96/08/1354479608.db2.gz HJODYRCRGPLHJB-YJBOKZPZSA-N 1 2 340.895 3.011 20 30 EGEDLO Cc1cncc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001071409344 1354673579 /nfs/dbraw/zinc/67/35/79/1354673579.db2.gz VPGVHZRRJLPWSL-JXFKEZNVSA-N 1 2 348.450 3.045 20 30 EGEDLO Cc1cncc(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001071409344 1354673584 /nfs/dbraw/zinc/67/35/84/1354673584.db2.gz VPGVHZRRJLPWSL-JXFKEZNVSA-N 1 2 348.450 3.045 20 30 EGEDLO Cc1cccnc1C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001071416442 1354681010 /nfs/dbraw/zinc/68/10/10/1354681010.db2.gz JFSXOCGMJFJZJM-LPHOPBHVSA-N 1 2 348.450 3.045 20 30 EGEDLO Cc1cccnc1C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001071416442 1354681014 /nfs/dbraw/zinc/68/10/14/1354681014.db2.gz JFSXOCGMJFJZJM-LPHOPBHVSA-N 1 2 348.450 3.045 20 30 EGEDLO Cc1cnccc1C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001071494742 1354727959 /nfs/dbraw/zinc/72/79/59/1354727959.db2.gz XFNXUKQDOIPYOV-VQIMIIECSA-N 1 2 348.450 3.045 20 30 EGEDLO Cc1cnccc1C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001071494742 1354727962 /nfs/dbraw/zinc/72/79/62/1354727962.db2.gz XFNXUKQDOIPYOV-VQIMIIECSA-N 1 2 348.450 3.045 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc(F)ccc2F)CC[C@H]1C ZINC001071569258 1354769428 /nfs/dbraw/zinc/76/94/28/1354769428.db2.gz XMLXJYMZRIPCMG-YPMHNXCESA-N 1 2 328.790 3.300 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc(F)ccc2F)CC[C@H]1C ZINC001071569258 1354769431 /nfs/dbraw/zinc/76/94/31/1354769431.db2.gz XMLXJYMZRIPCMG-YPMHNXCESA-N 1 2 328.790 3.300 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccnc2C2CC2)CC[C@@H]1C ZINC001071647319 1354825239 /nfs/dbraw/zinc/82/52/39/1354825239.db2.gz GSPNMBMWOZIWNK-DZGCQCFKSA-N 1 2 333.863 3.294 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cccnc2C2CC2)CC[C@@H]1C ZINC001071647319 1354825241 /nfs/dbraw/zinc/82/52/41/1354825241.db2.gz GSPNMBMWOZIWNK-DZGCQCFKSA-N 1 2 333.863 3.294 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc(Cl)cn2C)CC[C@@H]1C ZINC001071665211 1354837035 /nfs/dbraw/zinc/83/70/35/1354837035.db2.gz BSJZBVAXLIBCIN-AAEUAGOBSA-N 1 2 330.259 3.014 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C2(C)CCC2)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC001071741307 1354891549 /nfs/dbraw/zinc/89/15/49/1354891549.db2.gz FWABGRAHSLHWBZ-WMLDXEAASA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C2(C)CCC2)C[N@H+]1Cc1cc(C#N)ccc1F ZINC001071741307 1354891552 /nfs/dbraw/zinc/89/15/52/1354891552.db2.gz FWABGRAHSLHWBZ-WMLDXEAASA-N 1 2 343.446 3.357 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc(OC)c(C)c2)CC[C@H]1C ZINC001071892383 1355010196 /nfs/dbraw/zinc/01/01/96/1355010196.db2.gz FNMZGQRWZNWSMY-GDBMZVCRSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc(OC)c(C)c2)CC[C@H]1C ZINC001071892383 1355010200 /nfs/dbraw/zinc/01/02/00/1355010200.db2.gz FNMZGQRWZNWSMY-GDBMZVCRSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)[C@@H](C)C(C)(C)C)C2)C1 ZINC001072856012 1355467531 /nfs/dbraw/zinc/46/75/31/1355467531.db2.gz RHBMRGMAYXMKNX-CYBMUJFWSA-N 1 2 343.309 3.112 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C)C(C)(C)C)C2)C1 ZINC001072856012 1355467536 /nfs/dbraw/zinc/46/75/36/1355467536.db2.gz RHBMRGMAYXMKNX-CYBMUJFWSA-N 1 2 343.309 3.112 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc3occc3c2)C1 ZINC001073616279 1355846470 /nfs/dbraw/zinc/84/64/70/1355846470.db2.gz TVHJAXVSUTZBIR-INIZCTEOSA-N 1 2 348.830 3.006 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3occc3c2)C1 ZINC001073616279 1355846477 /nfs/dbraw/zinc/84/64/77/1355846477.db2.gz TVHJAXVSUTZBIR-INIZCTEOSA-N 1 2 348.830 3.006 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC=CCCC2)C1 ZINC001073651875 1355853696 /nfs/dbraw/zinc/85/36/96/1355853696.db2.gz JERIVFZVUINVNF-IRXDYDNUSA-N 1 2 340.895 3.083 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC=CCCC2)C1 ZINC001073651875 1355853697 /nfs/dbraw/zinc/85/36/97/1355853697.db2.gz JERIVFZVUINVNF-IRXDYDNUSA-N 1 2 340.895 3.083 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(C(C)C)c3)C[C@H]21 ZINC001074377739 1356189104 /nfs/dbraw/zinc/18/91/04/1356189104.db2.gz QCGNSSJRIYKEIG-WOJBJXKFSA-N 1 2 342.483 3.301 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(C(C)C)c3)C[C@H]21 ZINC001074377739 1356189108 /nfs/dbraw/zinc/18/91/08/1356189108.db2.gz QCGNSSJRIYKEIG-WOJBJXKFSA-N 1 2 342.483 3.301 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(C4CC4)c3)C[C@H]21 ZINC001074415795 1356197299 /nfs/dbraw/zinc/19/72/99/1356197299.db2.gz WZYTXANLIKVRMN-WOJBJXKFSA-N 1 2 340.467 3.055 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(C4CC4)c3)C[C@H]21 ZINC001074415795 1356197300 /nfs/dbraw/zinc/19/73/00/1356197300.db2.gz WZYTXANLIKVRMN-WOJBJXKFSA-N 1 2 340.467 3.055 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(CC(C)C)c[nH]3)[C@@H]2C1 ZINC001076467564 1356585518 /nfs/dbraw/zinc/58/55/18/1356585518.db2.gz NCOOSFGGKHVHRC-DOTOQJQBSA-N 1 2 335.879 3.112 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(CC(C)C)c[nH]3)[C@@H]2C1 ZINC001076467564 1356585522 /nfs/dbraw/zinc/58/55/22/1356585522.db2.gz NCOOSFGGKHVHRC-DOTOQJQBSA-N 1 2 335.879 3.112 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(OC3CCC3)cc2)C1 ZINC001080976930 1357772586 /nfs/dbraw/zinc/77/25/86/1357772586.db2.gz PBHOKPVXXLSHPM-FZKQIMNGSA-N 1 2 348.874 3.421 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(OC3CCC3)cc2)C1 ZINC001080976930 1357772588 /nfs/dbraw/zinc/77/25/88/1357772588.db2.gz PBHOKPVXXLSHPM-FZKQIMNGSA-N 1 2 348.874 3.421 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001081012240 1357779675 /nfs/dbraw/zinc/77/96/75/1357779675.db2.gz KAHUAXDNSZSJEV-FZKQIMNGSA-N 1 2 332.875 3.286 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001081012240 1357779680 /nfs/dbraw/zinc/77/96/80/1357779680.db2.gz KAHUAXDNSZSJEV-FZKQIMNGSA-N 1 2 332.875 3.286 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C)c(OC)c(C)c3)[C@@H]2C1 ZINC001084362909 1358199398 /nfs/dbraw/zinc/19/93/98/1358199398.db2.gz LYZXFWJUALODHJ-NVXWUHKLSA-N 1 2 348.874 3.211 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C)c(OC)c(C)c3)[C@@H]2C1 ZINC001084362909 1358199400 /nfs/dbraw/zinc/19/94/00/1358199400.db2.gz LYZXFWJUALODHJ-NVXWUHKLSA-N 1 2 348.874 3.211 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(F)cc(Cl)c3)[C@@H]2C1 ZINC001084682096 1358277497 /nfs/dbraw/zinc/27/74/97/1358277497.db2.gz RJJCYSGQSSEULE-IAQYHMDHSA-N 1 2 343.229 3.378 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(F)cc(Cl)c3)[C@@H]2C1 ZINC001084682096 1358277500 /nfs/dbraw/zinc/27/75/00/1358277500.db2.gz RJJCYSGQSSEULE-IAQYHMDHSA-N 1 2 343.229 3.378 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(C)CCc4ccccc43)[C@@H]2C1 ZINC001084860373 1358332898 /nfs/dbraw/zinc/33/28/98/1358332898.db2.gz MSCGRHNGXVAYRC-YVWKXTFCSA-N 1 2 344.886 3.176 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(C)CCc4ccccc43)[C@@H]2C1 ZINC001084860373 1358332901 /nfs/dbraw/zinc/33/29/01/1358332901.db2.gz MSCGRHNGXVAYRC-YVWKXTFCSA-N 1 2 344.886 3.176 20 30 EGEDLO Cc1cc(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)oc1C ZINC001085542454 1358582196 /nfs/dbraw/zinc/58/21/96/1358582196.db2.gz YKJCALGSWAZMJK-GOSISDBHSA-N 1 2 337.423 3.115 20 30 EGEDLO Cc1cc(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)oc1C ZINC001085542454 1358582203 /nfs/dbraw/zinc/58/22/03/1358582203.db2.gz YKJCALGSWAZMJK-GOSISDBHSA-N 1 2 337.423 3.115 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001085606975 1358629391 /nfs/dbraw/zinc/62/93/91/1358629391.db2.gz DBUDUYYSCFHCPV-CLAROIROSA-N 1 2 348.490 3.173 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001085606975 1358629396 /nfs/dbraw/zinc/62/93/96/1358629396.db2.gz DBUDUYYSCFHCPV-CLAROIROSA-N 1 2 348.490 3.173 20 30 EGEDLO CN(C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N)c1ccccc1N ZINC001183833727 1387356327 /nfs/dbraw/zinc/35/63/27/1387356327.db2.gz BXJPSXUVJDOIOI-FQEVSTJZSA-N 1 2 348.450 3.158 20 30 EGEDLO CN(C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N)c1ccccc1N ZINC001183833727 1387356331 /nfs/dbraw/zinc/35/63/31/1387356331.db2.gz BXJPSXUVJDOIOI-FQEVSTJZSA-N 1 2 348.450 3.158 20 30 EGEDLO Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)cc1 ZINC001085940892 1358898227 /nfs/dbraw/zinc/89/82/27/1358898227.db2.gz SELMRKXCXSQCSQ-NRFANRHFSA-N 1 2 332.447 3.193 20 30 EGEDLO Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2CC#Cc2ccccc2)cc1 ZINC001085940892 1358898229 /nfs/dbraw/zinc/89/82/29/1358898229.db2.gz SELMRKXCXSQCSQ-NRFANRHFSA-N 1 2 332.447 3.193 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)C1CCC=CCC1 ZINC001085975686 1358930048 /nfs/dbraw/zinc/93/00/48/1358930048.db2.gz CTJIGZCGMWLWEG-FQEVSTJZSA-N 1 2 337.467 3.337 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)C1CCC=CCC1 ZINC001085975686 1358930051 /nfs/dbraw/zinc/93/00/51/1358930051.db2.gz CTJIGZCGMWLWEG-FQEVSTJZSA-N 1 2 337.467 3.337 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1)C(=O)c1ccc(F)s1 ZINC001085997975 1358953150 /nfs/dbraw/zinc/95/31/50/1358953150.db2.gz JZKQSTHHFKIZDW-OAHLLOKOSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1)C(=O)c1ccc(F)s1 ZINC001085997975 1358953154 /nfs/dbraw/zinc/95/31/54/1358953154.db2.gz JZKQSTHHFKIZDW-OAHLLOKOSA-N 1 2 343.427 3.105 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccncc2)C1 ZINC001086571996 1359152229 /nfs/dbraw/zinc/15/22/29/1359152229.db2.gz ZXOMUTZFJMANJL-ZWKOTPCHSA-N 1 2 341.842 3.032 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccncc2)C1 ZINC001086571996 1359152230 /nfs/dbraw/zinc/15/22/30/1359152230.db2.gz ZXOMUTZFJMANJL-ZWKOTPCHSA-N 1 2 341.842 3.032 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC001086611748 1359164049 /nfs/dbraw/zinc/16/40/49/1359164049.db2.gz KQVXRDQIKCJFMK-YESZJQIVSA-N 1 2 330.859 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC001086611748 1359164051 /nfs/dbraw/zinc/16/40/51/1359164051.db2.gz KQVXRDQIKCJFMK-YESZJQIVSA-N 1 2 330.859 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001087420926 1359457702 /nfs/dbraw/zinc/45/77/02/1359457702.db2.gz CQBSDBIIVLNKGJ-SJLPKXTDSA-N 1 2 343.858 3.355 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001087420926 1359457706 /nfs/dbraw/zinc/45/77/06/1359457706.db2.gz CQBSDBIIVLNKGJ-SJLPKXTDSA-N 1 2 343.858 3.355 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2coc(C3CCC3)n2)[C@H]1CC ZINC001087789046 1359645276 /nfs/dbraw/zinc/64/52/76/1359645276.db2.gz WIUHQHUSRUJLCH-DZGCQCFKSA-N 1 2 337.851 3.277 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2coc(C3CCC3)n2)[C@H]1CC ZINC001087789046 1359645280 /nfs/dbraw/zinc/64/52/80/1359645280.db2.gz WIUHQHUSRUJLCH-DZGCQCFKSA-N 1 2 337.851 3.277 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCCCC[C@@H]([NH2+][C@H](C)c3noc(C)n3)C2)C1 ZINC001088379041 1359862501 /nfs/dbraw/zinc/86/25/01/1359862501.db2.gz YMDFVNYWNRYTHS-GDBMZVCRSA-N 1 2 346.475 3.156 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2cccs2)[C@H]1C ZINC001088792790 1360046075 /nfs/dbraw/zinc/04/60/75/1360046075.db2.gz HFOUBSLHYSIWLA-OLZOCXBDSA-N 1 2 326.893 3.357 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2cccs2)[C@H]1C ZINC001088792790 1360046081 /nfs/dbraw/zinc/04/60/81/1360046081.db2.gz HFOUBSLHYSIWLA-OLZOCXBDSA-N 1 2 326.893 3.357 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(OCC)c(C)c2)[C@H]1C ZINC001088895276 1360096176 /nfs/dbraw/zinc/09/61/76/1360096176.db2.gz SQEFWQLGCHEMSB-ZBFHGGJFSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(OCC)c(C)c2)[C@H]1C ZINC001088895276 1360096177 /nfs/dbraw/zinc/09/61/77/1360096177.db2.gz SQEFWQLGCHEMSB-ZBFHGGJFSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(OCC3CC3)cc2)[C@H]1C ZINC001089048665 1360147341 /nfs/dbraw/zinc/14/73/41/1360147341.db2.gz YZDWHCCEYWKZPM-KDOFPFPSSA-N 1 2 348.874 3.421 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(OCC3CC3)cc2)[C@H]1C ZINC001089048665 1360147343 /nfs/dbraw/zinc/14/73/43/1360147343.db2.gz YZDWHCCEYWKZPM-KDOFPFPSSA-N 1 2 348.874 3.421 20 30 EGEDLO CCCc1nc(C[N@H+](C)C[C@@H]2CCCCN2C(=O)[C@@H](C)C#N)cs1 ZINC001089139862 1360197144 /nfs/dbraw/zinc/19/71/44/1360197144.db2.gz PZYYGWLZDUJAIH-HOCLYGCPSA-N 1 2 348.516 3.068 20 30 EGEDLO CCCc1nc(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)[C@@H](C)C#N)cs1 ZINC001089139862 1360197147 /nfs/dbraw/zinc/19/71/47/1360197147.db2.gz PZYYGWLZDUJAIH-HOCLYGCPSA-N 1 2 348.516 3.068 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H](C)[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001089183712 1360233755 /nfs/dbraw/zinc/23/37/55/1360233755.db2.gz GRQKEJMWOIGXKG-WMZOPIPTSA-N 1 2 342.487 3.265 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H](C)[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001089187840 1360237909 /nfs/dbraw/zinc/23/79/09/1360237909.db2.gz NMJOAJXGNXHGDR-ZBFHGGJFSA-N 1 2 330.476 3.284 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccncc1C ZINC001089634664 1360551039 /nfs/dbraw/zinc/55/10/39/1360551039.db2.gz FJYSDMXIXIIBFR-OAHLLOKOSA-N 1 2 335.879 3.363 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccncc1C ZINC001089634664 1360551041 /nfs/dbraw/zinc/55/10/41/1360551041.db2.gz FJYSDMXIXIIBFR-OAHLLOKOSA-N 1 2 335.879 3.363 20 30 EGEDLO C#CCCCCCC(=O)N1C[C@@H](C)[C@](C)(CNc2cc[nH+]c(C)n2)C1 ZINC001090258467 1360876105 /nfs/dbraw/zinc/87/61/05/1360876105.db2.gz RAYNENDXSPSYPW-OXQOHEQNSA-N 1 2 342.487 3.265 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H](CNc2cc[nH+]c(C)n2)[C@@H](C)C1 ZINC001090282917 1360886951 /nfs/dbraw/zinc/88/69/51/1360886951.db2.gz YMNSNXTYAZLMKY-HOCLYGCPSA-N 1 2 330.476 3.284 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C12CCC2 ZINC001090622399 1360917405 /nfs/dbraw/zinc/91/74/05/1360917405.db2.gz UUMXUZXSDYUNTM-IAGOWNOFSA-N 1 2 340.471 3.208 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001090810901 1360939654 /nfs/dbraw/zinc/93/96/54/1360939654.db2.gz IFTOKEZFOBAFJF-GDBMZVCRSA-N 1 2 330.476 3.206 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CCCC[C@H]2Nc2cc[nH+]c(C)n2)CC1 ZINC001091293239 1361033871 /nfs/dbraw/zinc/03/38/71/1361033871.db2.gz TVOZKDKEVZLONJ-HZPDHXFCSA-N 1 2 328.460 3.371 20 30 EGEDLO Cc1cc(N[C@@H]2CC[C@H](CNC(=O)C#CC(C)C)C2)nc(C(C)C)[nH+]1 ZINC001091570536 1361148322 /nfs/dbraw/zinc/14/83/22/1361148322.db2.gz MSEKMRJCHSKYCQ-DLBZAZTESA-N 1 2 342.487 3.265 20 30 EGEDLO C=CCCC(=O)NC[C@H]1CCC(C)(C)CN1c1cc(C)[nH+]c(CC)n1 ZINC001092113933 1361305472 /nfs/dbraw/zinc/30/54/72/1361305472.db2.gz DFGVTYFIFSDLKV-MRXNPFEDSA-N 1 2 344.503 3.425 20 30 EGEDLO C#CCCCCC(=O)NCC1CC(Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001092210052 1361324068 /nfs/dbraw/zinc/32/40/68/1361324068.db2.gz NPEQVXOEPUUCOD-UHFFFAOYSA-N 1 2 342.487 3.409 20 30 EGEDLO C=CCCCC(=O)NCC1CC(Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001092258446 1361346103 /nfs/dbraw/zinc/34/61/03/1361346103.db2.gz JUPOYNVGUULEBG-UHFFFAOYSA-N 1 2 328.460 3.325 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001093037602 1361513907 /nfs/dbraw/zinc/51/39/07/1361513907.db2.gz RGGJIYWDRLNPKT-HPBDAGMYSA-N 1 2 342.487 3.176 20 30 EGEDLO Cc1c[nH+]c2n1CCC21CCN(C(=O)Nc2ccc(C#N)cc2)CC1 ZINC001184726262 1387521197 /nfs/dbraw/zinc/52/11/97/1387521197.db2.gz VIYKUHTZNUEABU-UHFFFAOYSA-N 1 2 335.411 3.033 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)CC3CCCCC3)CC2)C1 ZINC001093504044 1361632012 /nfs/dbraw/zinc/63/20/12/1361632012.db2.gz MFZCAXSWNXUIOO-UHFFFAOYSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C(C)(C)C(C)(C)C)CC2)C1 ZINC001093560509 1361642176 /nfs/dbraw/zinc/64/21/76/1361642176.db2.gz LRJGTPLNRMGWHN-UHFFFAOYSA-N 1 2 336.520 3.327 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3cccc(Cl)c3)CC2)C1 ZINC001093592207 1361650792 /nfs/dbraw/zinc/65/07/92/1361650792.db2.gz VYXMIMMKLTVJRV-UHFFFAOYSA-N 1 2 348.874 3.222 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3ccc(F)cc3C)CC2)C1 ZINC001093594156 1361651812 /nfs/dbraw/zinc/65/18/12/1361651812.db2.gz WTVCHUMROCOXJM-UHFFFAOYSA-N 1 2 346.446 3.016 20 30 EGEDLO C=C[C@H](C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1)c1ccccc1 ZINC001093664958 1361670730 /nfs/dbraw/zinc/67/07/30/1361670730.db2.gz RILGDNMZSAXAKB-KRWDZBQOSA-N 1 2 338.455 3.406 20 30 EGEDLO C=CCC[C@@H](C(=O)NCCCNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001094483160 1361823695 /nfs/dbraw/zinc/82/36/95/1361823695.db2.gz DMCSNYXGBFKTBA-GOSISDBHSA-N 1 2 338.455 3.453 20 30 EGEDLO C=C1CCC(C(=O)NCCCNc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001094756531 1361906714 /nfs/dbraw/zinc/90/67/14/1361906714.db2.gz XOOBIECJWAPEQY-UHFFFAOYSA-N 1 2 328.460 3.327 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001095147049 1362032130 /nfs/dbraw/zinc/03/21/30/1362032130.db2.gz MNCVFCKOKGXWFV-SFHVURJKSA-N 1 2 342.487 3.023 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC(CNc2cc[nH+]c(C)n2)CC1 ZINC001095264918 1362074139 /nfs/dbraw/zinc/07/41/39/1362074139.db2.gz GEJBLZQULKQGAN-UHFFFAOYSA-N 1 2 328.460 3.204 20 30 EGEDLO C=CCC1(C(=O)NC2CCN(c3cc[nH+]c(C)n3)CC2)CCCC1 ZINC001095420698 1362134655 /nfs/dbraw/zinc/13/46/55/1362134655.db2.gz OQOYDSPSFIAWDJ-UHFFFAOYSA-N 1 2 328.460 3.007 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[C@@H]1CCCCO1)C2 ZINC001095428955 1362137896 /nfs/dbraw/zinc/13/78/96/1362137896.db2.gz WWXBPZNBCMBTNU-UGUYLWEFSA-N 1 2 340.895 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[C@@H]1CCCCO1)C2 ZINC001095428955 1362137899 /nfs/dbraw/zinc/13/78/99/1362137899.db2.gz WWXBPZNBCMBTNU-UGUYLWEFSA-N 1 2 340.895 3.056 20 30 EGEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)C1(F)CCCC1 ZINC001095655925 1362197270 /nfs/dbraw/zinc/19/72/70/1362197270.db2.gz ZLNQFQAJFLFHRO-QYZOEREBSA-N 1 2 340.442 3.042 20 30 EGEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)C1(F)CCCC1 ZINC001095655925 1362197272 /nfs/dbraw/zinc/19/72/72/1362197272.db2.gz ZLNQFQAJFLFHRO-QYZOEREBSA-N 1 2 340.442 3.042 20 30 EGEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ccc(F)cc3s1)C2 ZINC001095707542 1362207583 /nfs/dbraw/zinc/20/75/83/1362207583.db2.gz WRONTMKXKJDYEQ-ILXRZTDVSA-N 1 2 328.412 3.009 20 30 EGEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ccc(F)cc3s1)C2 ZINC001095707542 1362207586 /nfs/dbraw/zinc/20/75/86/1362207586.db2.gz WRONTMKXKJDYEQ-ILXRZTDVSA-N 1 2 328.412 3.009 20 30 EGEDLO Cc1nc(N[C@H](C)[C@@H]2CCCCN2C(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001095798585 1362233238 /nfs/dbraw/zinc/23/32/38/1362233238.db2.gz XVVCXEVVKGLTDU-ZBFHGGJFSA-N 1 2 328.460 3.016 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C3CC3)CCC1)C2 ZINC001095824675 1362246508 /nfs/dbraw/zinc/24/65/08/1362246508.db2.gz VUVNODIXTKLXIK-AABGKKOBSA-N 1 2 349.478 3.360 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C3CC3)CCC1)C2 ZINC001095824675 1362246513 /nfs/dbraw/zinc/24/65/13/1362246513.db2.gz VUVNODIXTKLXIK-AABGKKOBSA-N 1 2 349.478 3.360 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N(C)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001096122015 1362393742 /nfs/dbraw/zinc/39/37/42/1362393742.db2.gz YGGZMFPVJJTPCI-UHFFFAOYSA-N 1 2 344.503 3.431 20 30 EGEDLO C=CCCCC(=O)N(C)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001096127312 1362397216 /nfs/dbraw/zinc/39/72/16/1362397216.db2.gz ZIEOVHGDKWDJDH-UHFFFAOYSA-N 1 2 330.476 3.185 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N(CCC)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001096548732 1362574330 /nfs/dbraw/zinc/57/43/30/1362574330.db2.gz CVBIDHMVWIKCCD-CVEARBPZSA-N 1 2 344.503 3.451 20 30 EGEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)c1ccccc1 ZINC001096744014 1362682541 /nfs/dbraw/zinc/68/25/41/1362682541.db2.gz NMVKCSMIVVDLOV-NJYVYQBISA-N 1 2 348.421 3.213 20 30 EGEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)c1ccccc1 ZINC001096744014 1362682543 /nfs/dbraw/zinc/68/25/43/1362682543.db2.gz NMVKCSMIVVDLOV-NJYVYQBISA-N 1 2 348.421 3.213 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)oc1C ZINC001096959008 1362794525 /nfs/dbraw/zinc/79/45/25/1362794525.db2.gz JSQHFMQHJBGJKY-QRVBRYPASA-N 1 2 349.434 3.303 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)oc1C ZINC001096959008 1362794529 /nfs/dbraw/zinc/79/45/29/1362794529.db2.gz JSQHFMQHJBGJKY-QRVBRYPASA-N 1 2 349.434 3.303 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001096974544 1362801139 /nfs/dbraw/zinc/80/11/39/1362801139.db2.gz UUNPFLZQGBUPTF-ZBFHGGJFSA-N 1 2 342.487 3.279 20 30 EGEDLO C=CC[C@@H](C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001097186529 1362877891 /nfs/dbraw/zinc/87/78/91/1362877891.db2.gz GRPZWXOIRSLIOH-FGTMMUONSA-N 1 2 336.439 3.204 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001097242038 1362898391 /nfs/dbraw/zinc/89/83/91/1362898391.db2.gz MGKQMRYBVCSQGS-LQKXBSAESA-N 1 2 342.487 3.181 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)CCCC1 ZINC001097313240 1362926103 /nfs/dbraw/zinc/92/61/03/1362926103.db2.gz ZWYYLMFKPHARMD-KRWDZBQOSA-N 1 2 342.487 3.254 20 30 EGEDLO CC#CCCCC(=O)NC[C@H]1CCCCN1c1nc(C)[nH+]c(C)c1C ZINC001097454179 1363000077 /nfs/dbraw/zinc/00/00/77/1363000077.db2.gz SWWIOXBJJYQFTC-GOSISDBHSA-N 1 2 342.487 3.071 20 30 EGEDLO C=CCCCC(=O)N[C@H](C)[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097541336 1363048755 /nfs/dbraw/zinc/04/87/55/1363048755.db2.gz BCFAQGKEPNCFDT-SJLPKXTDSA-N 1 2 344.503 3.479 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@@H]2CC[C@H](Nc3cc[nH+]c(C)n3)[C@H]2C1 ZINC001097603653 1363068691 /nfs/dbraw/zinc/06/86/91/1363068691.db2.gz ICHRPKXWKZLACS-JYJNAYRXSA-N 1 2 328.460 3.036 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)[C@H](C)CO3)C2 ZINC001097688282 1363101367 /nfs/dbraw/zinc/10/13/67/1363101367.db2.gz ZQQWBMFQOSPPMS-PREXVCJDSA-N 1 2 346.858 3.270 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)[C@H](C)CO3)C2 ZINC001097688282 1363101372 /nfs/dbraw/zinc/10/13/72/1363101372.db2.gz ZQQWBMFQOSPPMS-PREXVCJDSA-N 1 2 346.858 3.270 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc(C)oc2C)CC1 ZINC001097788293 1363121460 /nfs/dbraw/zinc/12/14/60/1363121460.db2.gz BVPGUCXJSANIDN-LMMKCTJWSA-N 1 2 343.471 3.259 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc(C)oc2C)CC1 ZINC001097788293 1363121461 /nfs/dbraw/zinc/12/14/61/1363121461.db2.gz BVPGUCXJSANIDN-LMMKCTJWSA-N 1 2 343.471 3.259 20 30 EGEDLO CC(C)c1cc(N[C@@H](C)CNC(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001097803703 1363124743 /nfs/dbraw/zinc/12/47/43/1363124743.db2.gz MWFNLFIJICIJFY-AWEZNQCLSA-N 1 2 328.460 3.053 20 30 EGEDLO C=CC[C@H](Cc1ccccc1)C(=O)NC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001097881547 1363148537 /nfs/dbraw/zinc/14/85/37/1363148537.db2.gz KMJVGSRKLIZPOW-MAUKXSAKSA-N 1 2 338.455 3.137 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001098182005 1363246829 /nfs/dbraw/zinc/24/68/29/1363246829.db2.gz RSCHOTZAZZTOKT-ZDUSSCGKSA-N 1 2 330.476 3.183 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001098188632 1363248412 /nfs/dbraw/zinc/24/84/12/1363248412.db2.gz SURFANLXTLNURD-MRXNPFEDSA-N 1 2 330.476 3.409 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)c1cccc(OC)c1)C2 ZINC001098466207 1363333983 /nfs/dbraw/zinc/33/39/83/1363333983.db2.gz UNAVLBYIHGPJLR-UWIFEVILSA-N 1 2 348.874 3.273 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)c1cccc(OC)c1)C2 ZINC001098466207 1363333987 /nfs/dbraw/zinc/33/39/87/1363333987.db2.gz UNAVLBYIHGPJLR-UWIFEVILSA-N 1 2 348.874 3.273 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001098720083 1363448748 /nfs/dbraw/zinc/44/87/48/1363448748.db2.gz UNWMGDYXOIHHMW-ROUUACIJSA-N 1 2 344.503 3.431 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc3ncccc3o2)C1 ZINC001098945712 1363534219 /nfs/dbraw/zinc/53/42/19/1363534219.db2.gz GKJOVLDYCWOVGD-UGSOOPFHSA-N 1 2 345.830 3.165 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc3ncccc3o2)C1 ZINC001098945712 1363534221 /nfs/dbraw/zinc/53/42/21/1363534221.db2.gz GKJOVLDYCWOVGD-UGSOOPFHSA-N 1 2 345.830 3.165 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC=C(Cl)Cl ZINC001098981710 1363554768 /nfs/dbraw/zinc/55/47/68/1363554768.db2.gz FJSYPFARMLURHX-NWDGAFQWSA-N 1 2 332.275 3.072 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC=C(Cl)Cl ZINC001098981710 1363554770 /nfs/dbraw/zinc/55/47/70/1363554770.db2.gz FJSYPFARMLURHX-NWDGAFQWSA-N 1 2 332.275 3.072 20 30 EGEDLO C=C(Br)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(C)CC1 ZINC001099085337 1363615113 /nfs/dbraw/zinc/61/51/13/1363615113.db2.gz NPIMAFGNNDPLFX-CYBMUJFWSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(C)CC1 ZINC001099085337 1363615116 /nfs/dbraw/zinc/61/51/16/1363615116.db2.gz NPIMAFGNNDPLFX-CYBMUJFWSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ncccn1 ZINC001099189764 1363682703 /nfs/dbraw/zinc/68/27/03/1363682703.db2.gz WMNJMKMZVSXPEO-IRXDYDNUSA-N 1 2 344.503 3.186 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ncccn1 ZINC001099189764 1363682705 /nfs/dbraw/zinc/68/27/05/1363682705.db2.gz WMNJMKMZVSXPEO-IRXDYDNUSA-N 1 2 344.503 3.186 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1cnns1 ZINC001099204255 1363691245 /nfs/dbraw/zinc/69/12/45/1363691245.db2.gz XUYVCEWJOWLXQT-CQSZACIVSA-N 1 2 336.505 3.001 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1cnns1 ZINC001099204255 1363691248 /nfs/dbraw/zinc/69/12/48/1363691248.db2.gz XUYVCEWJOWLXQT-CQSZACIVSA-N 1 2 336.505 3.001 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](OC)C(C)C ZINC001099209073 1363692668 /nfs/dbraw/zinc/69/26/68/1363692668.db2.gz VWFLORPLRGNFSS-LSDHHAIUSA-N 1 2 330.900 3.017 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](OC)C(C)C ZINC001099209073 1363692671 /nfs/dbraw/zinc/69/26/71/1363692671.db2.gz VWFLORPLRGNFSS-LSDHHAIUSA-N 1 2 330.900 3.017 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@]1(C)CCCOC1 ZINC001099291737 1363735431 /nfs/dbraw/zinc/73/54/31/1363735431.db2.gz LPKUYVOAIMZLIK-MAUKXSAKSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@]1(C)CCCOC1 ZINC001099291737 1363735435 /nfs/dbraw/zinc/73/54/35/1363735435.db2.gz LPKUYVOAIMZLIK-MAUKXSAKSA-N 1 2 342.911 3.162 20 30 EGEDLO C=CC(C)(C)C(=O)NCC[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001099616913 1363888854 /nfs/dbraw/zinc/88/88/54/1363888854.db2.gz MKTDTYOHWSRZMN-ZDUSSCGKSA-N 1 2 330.476 3.183 20 30 EGEDLO C#CCCCCC(=O)NCCN(C)c1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001100028299 1364002764 /nfs/dbraw/zinc/00/27/64/1364002764.db2.gz NSZLYYBGRPNUIP-UHFFFAOYSA-N 1 2 344.503 3.469 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCN(CC)c1nc(C)[nH+]c2c1CCCC2 ZINC001100683056 1364217084 /nfs/dbraw/zinc/21/70/84/1364217084.db2.gz MYMIASWUGWBCTM-HNNXBMFYSA-N 1 2 344.503 3.209 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCN(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001100705133 1364227818 /nfs/dbraw/zinc/22/78/18/1364227818.db2.gz PATKNPPRMSUENE-LJQANCHMSA-N 1 2 330.476 3.207 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001100868112 1364301512 /nfs/dbraw/zinc/30/15/12/1364301512.db2.gz OIXGCIXKPFGGNJ-GOSISDBHSA-N 1 2 342.487 3.255 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001100871634 1364303820 /nfs/dbraw/zinc/30/38/20/1364303820.db2.gz AHELSURLXQJWIS-INIZCTEOSA-N 1 2 328.460 3.104 20 30 EGEDLO C=C1CCC(C(=O)NCCN(c2nc(C)[nH+]c(C)c2C)C2CC2)CC1 ZINC001101433985 1364561497 /nfs/dbraw/zinc/56/14/97/1364561497.db2.gz WDXBNTUKDXIEHV-UHFFFAOYSA-N 1 2 342.487 3.233 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)CCCCCC)c1nccn12 ZINC001101648164 1364670861 /nfs/dbraw/zinc/67/08/61/1364670861.db2.gz VIUFENUPTHREPK-IRXDYDNUSA-N 1 2 344.503 3.248 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N(C)[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102753342 1365202492 /nfs/dbraw/zinc/20/24/92/1365202492.db2.gz WXXWNCDGNVBOGW-DLBZAZTESA-N 1 2 330.476 3.041 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N(C)[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102756218 1365203972 /nfs/dbraw/zinc/20/39/72/1365203972.db2.gz QZAVOYKKQNUKHJ-QFBILLFUSA-N 1 2 330.476 3.041 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCCCN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC001102858692 1365256188 /nfs/dbraw/zinc/25/61/88/1365256188.db2.gz SWKPZPUNVXHIRR-MRXNPFEDSA-N 1 2 342.487 3.105 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CCCCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001102884732 1365273238 /nfs/dbraw/zinc/27/32/38/1365273238.db2.gz YREKJFMCXLEUDI-MRXNPFEDSA-N 1 2 328.460 3.007 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CCCCN(c3cc[nH+]c(C)n3)C2)CCC1 ZINC001102884918 1365273993 /nfs/dbraw/zinc/27/39/93/1365273993.db2.gz DZLSKHPOSVAPRH-MRXNPFEDSA-N 1 2 328.460 3.007 20 30 EGEDLO C=CCCCC(=O)NCC[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102945258 1365308911 /nfs/dbraw/zinc/30/89/11/1365308911.db2.gz RCAYESWQRNSMCJ-GOSISDBHSA-N 1 2 344.503 3.481 20 30 EGEDLO CC[C@@H](CNC(=O)[C@H](C)C#N)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001103029311 1365346468 /nfs/dbraw/zinc/34/64/68/1365346468.db2.gz QGDHHPHTXJZLGM-KGLIPLIRSA-N 1 2 331.464 3.190 20 30 EGEDLO CC#CCCCC(=O)N[C@@]1(CNc2cc[nH+]c(C)n2)CCCC[C@@H]1C ZINC001103603364 1365668889 /nfs/dbraw/zinc/66/88/89/1365668889.db2.gz DEWYKFFDXZAWTE-OXJNMPFZSA-N 1 2 342.487 3.456 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001103924498 1365835985 /nfs/dbraw/zinc/83/59/85/1365835985.db2.gz MLBLOLFYDSRSRT-AWEZNQCLSA-N 1 2 328.460 3.020 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001104209022 1365951985 /nfs/dbraw/zinc/95/19/85/1365951985.db2.gz NMGMFCSAJWIMNY-BFUOFWGJSA-N 1 2 330.476 3.429 20 30 EGEDLO Cc1cc(NC2(CNC(=O)C#CC3CC3)CCCC2)nc(C(C)C)[nH+]1 ZINC001104391726 1366001372 /nfs/dbraw/zinc/00/13/72/1366001372.db2.gz MVWBVELWVAUORL-UHFFFAOYSA-N 1 2 340.471 3.163 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H](C)CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001104805016 1366181073 /nfs/dbraw/zinc/18/10/73/1366181073.db2.gz OHYQLZRPOQHIDP-CQSZACIVSA-N 1 2 342.487 3.279 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@H](CNc2cc[nH+]c(C)n2)CC(C)C)cc1 ZINC001104976051 1366251859 /nfs/dbraw/zinc/25/18/59/1366251859.db2.gz SEPUIBILGKCSAA-SFHVURJKSA-N 1 2 336.439 3.023 20 30 EGEDLO Cc1nc(NC[C@@H](NC(=O)C#CC(C)(C)C)C2CCCCC2)cc[nH+]1 ZINC001105019285 1366278410 /nfs/dbraw/zinc/27/84/10/1366278410.db2.gz LXUYQWOVSZGIGQ-QGZVFWFLSA-N 1 2 342.487 3.312 20 30 EGEDLO C#CCCCC(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@@H](C)C1 ZINC001105036350 1366287084 /nfs/dbraw/zinc/28/70/84/1366287084.db2.gz ZJQCYNQPDVOSEF-YOEHRIQHSA-N 1 2 340.471 3.115 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H](Nc3cc[nH+]c(C)n3)[C@H](C)C2)CCC1 ZINC001105056728 1366298072 /nfs/dbraw/zinc/29/80/72/1366298072.db2.gz GNSCHQOMUTWGEX-GDBMZVCRSA-N 1 2 328.460 3.180 20 30 EGEDLO C#CCCCC(=O)N(C)CCN(C)c1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001105378646 1366430606 /nfs/dbraw/zinc/43/06/06/1366430606.db2.gz LTBZRGQXRJHMRI-UHFFFAOYSA-N 1 2 344.503 3.422 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N(C)CCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001105528638 1366512224 /nfs/dbraw/zinc/51/22/24/1366512224.db2.gz RMGWMUXOYXEJNB-HOCLYGCPSA-N 1 2 332.492 3.261 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N(C)CCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001105547037 1366523315 /nfs/dbraw/zinc/52/33/15/1366523315.db2.gz CYCMVAJYNHHFDD-LJQANCHMSA-N 1 2 330.476 3.159 20 30 EGEDLO Cc1cc(NC[C@H]2CCC[C@H]2NC(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001105657845 1366562151 /nfs/dbraw/zinc/56/21/51/1366562151.db2.gz IQNWMOIGPRBION-IAGOWNOFSA-N 1 2 340.471 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1366959066 /nfs/dbraw/zinc/95/90/66/1366959066.db2.gz PJAURXWTOONFTI-CRAIPNDOSA-N 1 2 348.516 3.001 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1csnn1)CC2 ZINC001107420919 1366959069 /nfs/dbraw/zinc/95/90/69/1366959069.db2.gz PJAURXWTOONFTI-CRAIPNDOSA-N 1 2 348.516 3.001 20 30 EGEDLO C#Cc1ccc(C(=O)NC/C=C\CNc2cc(C)[nH+]c(C(C)C)n2)cc1 ZINC001107455247 1366969395 /nfs/dbraw/zinc/96/93/95/1366969395.db2.gz OASFJSJCTWTWNC-SREVYHEPSA-N 1 2 348.450 3.288 20 30 EGEDLO CC#CCCCC(=O)NC/C=C\CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001107459236 1366971634 /nfs/dbraw/zinc/97/16/34/1366971634.db2.gz VNVPPMNBJBEHBQ-KTKRTIGZSA-N 1 2 328.460 3.186 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(-c3cccs3)on2)C1 ZINC001189318666 1366988795 /nfs/dbraw/zinc/98/87/95/1366988795.db2.gz NQARNNYZLYIBIQ-OAHLLOKOSA-N 1 2 345.468 3.402 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(-c3cccs3)on2)C1 ZINC001189318666 1366988800 /nfs/dbraw/zinc/98/88/00/1366988800.db2.gz NQARNNYZLYIBIQ-OAHLLOKOSA-N 1 2 345.468 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CC[C@@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109206629 1367002579 /nfs/dbraw/zinc/00/25/79/1367002579.db2.gz RMJNIIVQHMOACN-OLQIXAPSSA-N 1 2 343.446 3.355 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)/C=C\C(C)(C)C)C1 ZINC001189427371 1367020434 /nfs/dbraw/zinc/02/04/34/1367020434.db2.gz IVHKBTTXSRHMFO-FWPCIQOSSA-N 1 2 329.282 3.030 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)/C=C\C(C)(C)C)C1 ZINC001189427371 1367020440 /nfs/dbraw/zinc/02/04/40/1367020440.db2.gz IVHKBTTXSRHMFO-FWPCIQOSSA-N 1 2 329.282 3.030 20 30 EGEDLO C=CCC(C)(C)C(=O)NC/C=C\CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107540852 1367029993 /nfs/dbraw/zinc/02/99/93/1367029993.db2.gz DZBUQVBJUCUORO-HJWRWDBZSA-N 1 2 342.487 3.350 20 30 EGEDLO CCC(=CC(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1)CC ZINC001189633214 1367074509 /nfs/dbraw/zinc/07/45/09/1367074509.db2.gz VFZITFJDTOFRMP-IBGZPJMESA-N 1 2 343.446 3.476 20 30 EGEDLO CCC(=CC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1)CC ZINC001189633214 1367074517 /nfs/dbraw/zinc/07/45/17/1367074517.db2.gz VFZITFJDTOFRMP-IBGZPJMESA-N 1 2 343.446 3.476 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001109346835 1367074846 /nfs/dbraw/zinc/07/48/46/1367074846.db2.gz NVWJCOFACPMJTG-CVEARBPZSA-N 1 2 330.476 3.474 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)nc1 ZINC001109351000 1367081156 /nfs/dbraw/zinc/08/11/56/1367081156.db2.gz LJYOJIFXKFUMMY-PMPSAXMXSA-N 1 2 333.863 3.313 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)nc1 ZINC001109351000 1367081163 /nfs/dbraw/zinc/08/11/63/1367081163.db2.gz LJYOJIFXKFUMMY-PMPSAXMXSA-N 1 2 333.863 3.313 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC001190053038 1367161837 /nfs/dbraw/zinc/16/18/37/1367161837.db2.gz CSTUNNNONMBUSZ-CVEARBPZSA-N 1 2 345.487 3.225 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC001190053038 1367161841 /nfs/dbraw/zinc/16/18/41/1367161841.db2.gz CSTUNNNONMBUSZ-CVEARBPZSA-N 1 2 345.487 3.225 20 30 EGEDLO C[N@H+](Cc1ncc(C(C)(C)C)o1)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190084827 1367168444 /nfs/dbraw/zinc/16/84/44/1367168444.db2.gz SMAPFCMBBXUQGK-OAHLLOKOSA-N 1 2 345.487 3.054 20 30 EGEDLO C[N@@H+](Cc1ncc(C(C)(C)C)o1)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190084827 1367168448 /nfs/dbraw/zinc/16/84/48/1367168448.db2.gz SMAPFCMBBXUQGK-OAHLLOKOSA-N 1 2 345.487 3.054 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001109596233 1367220805 /nfs/dbraw/zinc/22/08/05/1367220805.db2.gz JRTHXALRTXATNY-ILXRZTDVSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001109596233 1367220808 /nfs/dbraw/zinc/22/08/08/1367220808.db2.gz JRTHXALRTXATNY-ILXRZTDVSA-N 1 2 333.501 3.275 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H]([N@H+](C)CC(=C)Br)C1 ZINC001190328376 1367228393 /nfs/dbraw/zinc/22/83/93/1367228393.db2.gz HVUGQCPXDXZXMJ-HNNXBMFYSA-N 1 2 341.293 3.196 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H]([N@@H+](C)CC(=C)Br)C1 ZINC001190328376 1367228395 /nfs/dbraw/zinc/22/83/95/1367228395.db2.gz HVUGQCPXDXZXMJ-HNNXBMFYSA-N 1 2 341.293 3.196 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)CC(C)(C)CC)C1 ZINC001190345183 1367233403 /nfs/dbraw/zinc/23/34/03/1367233403.db2.gz PCXSWBKVJVZXJL-ZDUSSCGKSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)CC(C)(C)CC)C1 ZINC001190345183 1367233407 /nfs/dbraw/zinc/23/34/07/1367233407.db2.gz PCXSWBKVJVZXJL-ZDUSSCGKSA-N 1 2 331.298 3.254 20 30 EGEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccncc1Cl ZINC001109656442 1367266810 /nfs/dbraw/zinc/26/68/10/1367266810.db2.gz VEXQKLJUWKWUBG-PVAVHDDUSA-N 1 2 333.863 3.313 20 30 EGEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccncc1Cl ZINC001109656442 1367266815 /nfs/dbraw/zinc/26/68/15/1367266815.db2.gz VEXQKLJUWKWUBG-PVAVHDDUSA-N 1 2 333.863 3.313 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001108085557 1367275046 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IZLGPBXINVCIBO-PMACEKPBSA-N 1 2 348.462 3.135 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC001108186062 1367328863 /nfs/dbraw/zinc/32/88/63/1367328863.db2.gz IZLGPBXINVCIBO-PMACEKPBSA-N 1 2 348.462 3.135 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(Cl)c3occc32)C1 ZINC001108339665 1367398508 /nfs/dbraw/zinc/39/85/08/1367398508.db2.gz XVSHHRMDZXEPPT-GOSISDBHSA-N 1 2 348.830 3.093 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(Cl)c3occc32)C1 ZINC001108339665 1367398511 /nfs/dbraw/zinc/39/85/11/1367398511.db2.gz XVSHHRMDZXEPPT-GOSISDBHSA-N 1 2 348.830 3.093 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@](C)(F)CCCC)C1 ZINC001191038640 1367406098 /nfs/dbraw/zinc/40/60/98/1367406098.db2.gz AOQWTDPBPQHQNF-UKRRQHHQSA-N 1 2 349.288 3.346 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@](C)(F)CCCC)C1 ZINC001191038640 1367406103 /nfs/dbraw/zinc/40/61/03/1367406103.db2.gz AOQWTDPBPQHQNF-UKRRQHHQSA-N 1 2 349.288 3.346 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H](CNc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001109948053 1367419027 /nfs/dbraw/zinc/41/90/27/1367419027.db2.gz YXYWFJFTQYZRJM-OAHLLOKOSA-N 1 2 330.476 3.427 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@](C)(CC)CCCCC)C1 ZINC001108426504 1367450705 /nfs/dbraw/zinc/45/07/05/1367450705.db2.gz NKNRKOINIOWILN-PMACEKPBSA-N 1 2 336.520 3.213 20 30 EGEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@](C)(CC)CCCCC)C1 ZINC001108426504 1367450708 /nfs/dbraw/zinc/45/07/08/1367450708.db2.gz NKNRKOINIOWILN-PMACEKPBSA-N 1 2 336.520 3.213 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc3cccc(Cl)c3o2)C1 ZINC001108449179 1367461753 /nfs/dbraw/zinc/46/17/53/1367461753.db2.gz OHWBJRWLASSZJB-SFHVURJKSA-N 1 2 348.830 3.093 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc3cccc(Cl)c3o2)C1 ZINC001108449179 1367461757 /nfs/dbraw/zinc/46/17/57/1367461757.db2.gz OHWBJRWLASSZJB-SFHVURJKSA-N 1 2 348.830 3.093 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001108672065 1367524659 /nfs/dbraw/zinc/52/46/59/1367524659.db2.gz DJAOPUHWOGUMLA-DJJJIMSYSA-N 1 2 330.476 3.183 20 30 EGEDLO C=CCC1(C(=O)NCC2(Nc3cc[nH+]c(C)n3)CC2)CCCCC1 ZINC001110154561 1367528781 /nfs/dbraw/zinc/52/87/81/1367528781.db2.gz WRSNTENWWLRGSB-UHFFFAOYSA-N 1 2 328.460 3.372 20 30 EGEDLO CCCCCCCCOCC(=O)N[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001108765488 1367581689 /nfs/dbraw/zinc/58/16/89/1367581689.db2.gz GLXXCBHICJKHAL-HNNXBMFYSA-N 1 2 336.480 3.079 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2ncoc2C(C)C)C1 ZINC001191860011 1367617456 /nfs/dbraw/zinc/61/74/56/1367617456.db2.gz VQKNWTNHRFLATN-INIZCTEOSA-N 1 2 331.460 3.024 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ncoc2C(C)C)C1 ZINC001191860011 1367617463 /nfs/dbraw/zinc/61/74/63/1367617463.db2.gz VQKNWTNHRFLATN-INIZCTEOSA-N 1 2 331.460 3.024 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001191912856 1367636676 /nfs/dbraw/zinc/63/66/76/1367636676.db2.gz RGLGLHHAGFSRCK-HOCLYGCPSA-N 1 2 331.460 3.187 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001191912856 1367636683 /nfs/dbraw/zinc/63/66/83/1367636683.db2.gz RGLGLHHAGFSRCK-HOCLYGCPSA-N 1 2 331.460 3.187 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(-c2ccco2)on1 ZINC001110368558 1367672367 /nfs/dbraw/zinc/67/23/67/1367672367.db2.gz FKCANFNVRZZDJU-OAGGEKHMSA-N 1 2 341.411 3.122 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(-c2ccco2)on1 ZINC001110368558 1367672373 /nfs/dbraw/zinc/67/23/73/1367672373.db2.gz FKCANFNVRZZDJU-OAGGEKHMSA-N 1 2 341.411 3.122 20 30 EGEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(Cl)Cl ZINC001110425506 1367709575 /nfs/dbraw/zinc/70/95/75/1367709575.db2.gz QTNHCCWPNHQKCY-MCIONIFRSA-N 1 2 347.286 3.010 20 30 EGEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC=C(Cl)Cl ZINC001110425506 1367709571 /nfs/dbraw/zinc/70/95/71/1367709571.db2.gz QTNHCCWPNHQKCY-MCIONIFRSA-N 1 2 347.286 3.010 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC=C(Cl)Cl ZINC001109040041 1367735581 /nfs/dbraw/zinc/73/55/81/1367735581.db2.gz MUCLFZGUXVNSJH-MQYQWHSLSA-N 1 2 347.286 3.008 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(Cl)Cl ZINC001109040041 1367735582 /nfs/dbraw/zinc/73/55/82/1367735582.db2.gz MUCLFZGUXVNSJH-MQYQWHSLSA-N 1 2 347.286 3.008 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cc(CC)[nH+]c(C)n1 ZINC001110449259 1367733872 /nfs/dbraw/zinc/73/38/72/1367733872.db2.gz CWARFCYKBOQWCJ-HDICACEKSA-N 1 2 342.487 3.273 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)[C@@H]2C1 ZINC001110494066 1367781303 /nfs/dbraw/zinc/78/13/03/1367781303.db2.gz GXQZPHKIXULGEM-ZWKOTPCHSA-N 1 2 342.487 3.185 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1c(F)cccc1F ZINC001110539493 1367818723 /nfs/dbraw/zinc/81/87/23/1367818723.db2.gz VMYFHPWPWKNPRT-DTDBQYNISA-N 1 2 346.421 3.407 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1c(F)cccc1F ZINC001110539493 1367818727 /nfs/dbraw/zinc/81/87/27/1367818727.db2.gz VMYFHPWPWKNPRT-DTDBQYNISA-N 1 2 346.421 3.407 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001192586194 1367825784 /nfs/dbraw/zinc/82/57/84/1367825784.db2.gz JHHVCWVAPJKLDO-SFHVURJKSA-N 1 2 343.446 3.332 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001192586194 1367825789 /nfs/dbraw/zinc/82/57/89/1367825789.db2.gz JHHVCWVAPJKLDO-SFHVURJKSA-N 1 2 343.446 3.332 20 30 EGEDLO Cc1cc(N2CCC(C)(NC(=O)C#CC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001110587871 1367850514 /nfs/dbraw/zinc/85/05/14/1367850514.db2.gz CUNFESURSGYCQK-UHFFFAOYSA-N 1 2 342.487 3.043 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NC1(C)CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001110606964 1367870072 /nfs/dbraw/zinc/87/00/72/1367870072.db2.gz WTJBPFVNSIGZBW-UONOGXRCSA-N 1 2 344.503 3.335 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)CCC(C)(C)C)C1 ZINC001192948840 1367910248 /nfs/dbraw/zinc/91/02/48/1367910248.db2.gz VVQZUJUDWPCXHI-ZDUSSCGKSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)CCC(C)(C)C)C1 ZINC001192948840 1367910252 /nfs/dbraw/zinc/91/02/52/1367910252.db2.gz VVQZUJUDWPCXHI-ZDUSSCGKSA-N 1 2 331.298 3.254 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@]2(CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001110698335 1367936108 /nfs/dbraw/zinc/93/61/08/1367936108.db2.gz GEXDJJSIOXMJFR-HXUWFJFHSA-N 1 2 342.487 3.350 20 30 EGEDLO C#CC[N@H+](CC1CC1)[C@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC001325182336 1387911185 /nfs/dbraw/zinc/91/11/85/1387911185.db2.gz TXXPZXNXBUKWGX-CYBMUJFWSA-N 1 2 338.407 3.308 20 30 EGEDLO C#CC[N@@H+](CC1CC1)[C@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC001325182336 1387911189 /nfs/dbraw/zinc/91/11/89/1387911189.db2.gz TXXPZXNXBUKWGX-CYBMUJFWSA-N 1 2 338.407 3.308 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@](C)(CNc3cc[nH+]c(C)n3)C2)CCC1 ZINC001110853541 1368034360 /nfs/dbraw/zinc/03/43/60/1368034360.db2.gz GVDMRZGMDLVJAF-GOSISDBHSA-N 1 2 328.460 3.182 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccncc1Cl ZINC001110897391 1368070673 /nfs/dbraw/zinc/07/06/73/1368070673.db2.gz LOFYKAKTMTVIQZ-BMFZPTHFSA-N 1 2 333.863 3.169 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccncc1Cl ZINC001110897391 1368070678 /nfs/dbraw/zinc/07/06/78/1368070678.db2.gz LOFYKAKTMTVIQZ-BMFZPTHFSA-N 1 2 333.863 3.169 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001110897678 1368072329 /nfs/dbraw/zinc/07/23/29/1368072329.db2.gz RJKMZQDOXUVFRA-QRVBRYPASA-N 1 2 340.442 3.111 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001110897678 1368072333 /nfs/dbraw/zinc/07/23/33/1368072333.db2.gz RJKMZQDOXUVFRA-QRVBRYPASA-N 1 2 340.442 3.111 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1F ZINC001110925186 1368096722 /nfs/dbraw/zinc/09/67/22/1368096722.db2.gz NFHXGMYSEYRMOU-QRQLOZEOSA-N 1 2 346.421 3.380 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1F ZINC001110925186 1368096728 /nfs/dbraw/zinc/09/67/28/1368096728.db2.gz NFHXGMYSEYRMOU-QRQLOZEOSA-N 1 2 346.421 3.380 20 30 EGEDLO C=C(C)CCC(=O)NC[C@]1(C)CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001110945009 1368112532 /nfs/dbraw/zinc/11/25/32/1368112532.db2.gz XJJPZSSVLDJGSZ-FQEVSTJZSA-N 1 2 344.503 3.481 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc(C)oc2C)CC1 ZINC001110988026 1368135925 /nfs/dbraw/zinc/13/59/25/1368135925.db2.gz NQDMXULRSICXPH-NUJGCVRESA-N 1 2 343.471 3.259 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc(C)oc2C)CC1 ZINC001110988026 1368135928 /nfs/dbraw/zinc/13/59/28/1368135928.db2.gz NQDMXULRSICXPH-NUJGCVRESA-N 1 2 343.471 3.259 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)[C@H](C)c3ncccn3)C2)CCCC1 ZINC001194556451 1368286639 /nfs/dbraw/zinc/28/66/39/1368286639.db2.gz WHPCISQGZRISCT-SJORKVTESA-N 1 2 342.487 3.207 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)[C@H](C)c3ncccn3)C2)CCCC1 ZINC001194556451 1368286643 /nfs/dbraw/zinc/28/66/43/1368286643.db2.gz WHPCISQGZRISCT-SJORKVTESA-N 1 2 342.487 3.207 20 30 EGEDLO Cc1nc(N[C@H](C)c2ccc(CNC(=O)C#CC(C)C)cc2)cc[nH+]1 ZINC001111631611 1368394020 /nfs/dbraw/zinc/39/40/20/1368394020.db2.gz QFFLORRMQGHBOV-OAHLLOKOSA-N 1 2 336.439 3.234 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@@H+]([C@@H](C)c2c(F)cccc2F)CC1 ZINC001195645234 1368464055 /nfs/dbraw/zinc/46/40/55/1368464055.db2.gz LONDXSURXVJZJG-HNNXBMFYSA-N 1 2 334.410 3.364 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@H+]([C@@H](C)c2c(F)cccc2F)CC1 ZINC001195645234 1368464058 /nfs/dbraw/zinc/46/40/58/1368464058.db2.gz LONDXSURXVJZJG-HNNXBMFYSA-N 1 2 334.410 3.364 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001112011902 1368615299 /nfs/dbraw/zinc/61/52/99/1368615299.db2.gz IGPYLKZOXVIHII-MRXNPFEDSA-N 1 2 330.476 3.089 20 30 EGEDLO N#Cc1cccc(-c2cc(C(=O)Nc3ccn4cc[nH+]c4c3)no2)c1 ZINC001196761161 1368678123 /nfs/dbraw/zinc/67/81/23/1368678123.db2.gz IADATEKZJNZMNS-UHFFFAOYSA-N 1 2 329.319 3.113 20 30 EGEDLO C=C/C(C)=C\CC(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001196791247 1368685755 /nfs/dbraw/zinc/68/57/55/1368685755.db2.gz YDKDSBMPUDOKQC-WSVATBPTSA-N 1 2 340.442 3.234 20 30 EGEDLO C=C/C(C)=C\CC(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001196791247 1368685760 /nfs/dbraw/zinc/68/57/60/1368685760.db2.gz YDKDSBMPUDOKQC-WSVATBPTSA-N 1 2 340.442 3.234 20 30 EGEDLO C=C/C(C)=C/CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001196824309 1368691466 /nfs/dbraw/zinc/69/14/66/1368691466.db2.gz ORUBGBPPRXFMCX-FZSIALSZSA-N 1 2 341.430 3.254 20 30 EGEDLO C=C/C(C)=C/CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001196824309 1368691468 /nfs/dbraw/zinc/69/14/68/1368691468.db2.gz ORUBGBPPRXFMCX-FZSIALSZSA-N 1 2 341.430 3.254 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+](Cc2nc3ccccc3o2)CC1 ZINC001196881688 1368706200 /nfs/dbraw/zinc/70/62/00/1368706200.db2.gz WGAUYELKWPLBHA-INIZCTEOSA-N 1 2 341.455 3.464 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+](Cc2nc3ccccc3o2)CC1 ZINC001196881688 1368706207 /nfs/dbraw/zinc/70/62/07/1368706207.db2.gz WGAUYELKWPLBHA-INIZCTEOSA-N 1 2 341.455 3.464 20 30 EGEDLO C#CCC1(C(=O)N2CCC(CC)(Nc3cc[nH+]c(C)n3)CC2)CCC1 ZINC001112208740 1368717408 /nfs/dbraw/zinc/71/74/08/1368717408.db2.gz YVLDFEDTPZFGPX-UHFFFAOYSA-N 1 2 340.471 3.162 20 30 EGEDLO CC#CCCCC(=O)N1CCC(CC)(Nc2cc[nH+]c(C)n2)CC1 ZINC001112210633 1368719505 /nfs/dbraw/zinc/71/95/05/1368719505.db2.gz XDMOKERWCNJLPM-UHFFFAOYSA-N 1 2 328.460 3.162 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@]2(CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001112218104 1368727040 /nfs/dbraw/zinc/72/70/40/1368727040.db2.gz RXAFSJXQIUKZRI-HXUWFJFHSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001197292241 1368781458 /nfs/dbraw/zinc/78/14/58/1368781458.db2.gz TXDDGWAONLWMGQ-UHFFFAOYSA-N 1 2 342.458 3.314 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001197292241 1368781461 /nfs/dbraw/zinc/78/14/61/1368781461.db2.gz TXDDGWAONLWMGQ-UHFFFAOYSA-N 1 2 342.458 3.314 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C[C@@H]1C ZINC001112398513 1368823388 /nfs/dbraw/zinc/82/33/88/1368823388.db2.gz RSPRUQDHLNEDOF-HOCLYGCPSA-N 1 2 330.476 3.206 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001112404480 1368827174 /nfs/dbraw/zinc/82/71/74/1368827174.db2.gz BNHYUYFIOGITFU-WBVHZDCISA-N 1 2 342.487 3.043 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001112430068 1368844828 /nfs/dbraw/zinc/84/48/28/1368844828.db2.gz ZVKDKZLQZWXTRQ-ZBFHGGJFSA-N 1 2 344.503 3.452 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)[C@H](C)C1 ZINC001112472433 1368872064 /nfs/dbraw/zinc/87/20/64/1368872064.db2.gz WXNQWUFMCOHDFQ-IAGOWNOFSA-N 1 2 342.487 3.185 20 30 EGEDLO C#CCCCC(=O)N1CCc2ccccc2[C@H]1CNc1cc[nH+]c(C)n1 ZINC001112765283 1368990626 /nfs/dbraw/zinc/99/06/26/1368990626.db2.gz SAHCNBRDGQDOHC-LJQANCHMSA-N 1 2 348.450 3.126 20 30 EGEDLO C=CCCOCC(=O)N1CCC[N@@H+](Cc2ccc(Cl)s2)CC1 ZINC001198315598 1369007557 /nfs/dbraw/zinc/00/75/57/1369007557.db2.gz ANLFTCZCJDRCTA-UHFFFAOYSA-N 1 2 342.892 3.029 20 30 EGEDLO C=CCCOCC(=O)N1CCC[N@H+](Cc2ccc(Cl)s2)CC1 ZINC001198315598 1369007560 /nfs/dbraw/zinc/00/75/60/1369007560.db2.gz ANLFTCZCJDRCTA-UHFFFAOYSA-N 1 2 342.892 3.029 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[NH+](Cc2cccc(COC)c2)CC1 ZINC001112881032 1369064748 /nfs/dbraw/zinc/06/47/48/1369064748.db2.gz YCSHTBPEJFJXCZ-UHFFFAOYSA-N 1 2 342.483 3.246 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC001112885711 1369068496 /nfs/dbraw/zinc/06/84/96/1369068496.db2.gz MUVPWVXCIZLSEE-HNNXBMFYSA-N 1 2 345.314 3.483 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)C1=CCCC1)c1ccccc1OC ZINC001198656230 1369084402 /nfs/dbraw/zinc/08/44/02/1369084402.db2.gz KXAJYNLIWRJCIU-INIZCTEOSA-N 1 2 334.847 3.305 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N1CC[NH+](Cc2ccc(F)cc2C)CC1)OCC ZINC001112906963 1369084407 /nfs/dbraw/zinc/08/44/07/1369084407.db2.gz UQOONQNIHVFWAO-LJQANCHMSA-N 1 2 348.462 3.150 20 30 EGEDLO C#CCC1(C(=O)N2CC[NH+]([C@@H]3CCc4ccc(F)cc43)CC2)CCC1 ZINC001112951336 1369106535 /nfs/dbraw/zinc/10/65/35/1369106535.db2.gz NOJFNDBAYGCWBZ-LJQANCHMSA-N 1 2 340.442 3.151 20 30 EGEDLO C=C(C)CCC(=O)N[C@H](C)[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001113194365 1369257070 /nfs/dbraw/zinc/25/70/70/1369257070.db2.gz QPDRFFKELBJDKE-ZIAGYGMSSA-N 1 2 330.476 3.325 20 30 EGEDLO C#CCCCCCC(=O)N1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC001113199790 1369258566 /nfs/dbraw/zinc/25/85/66/1369258566.db2.gz KGJLDKMLTSGTMY-UHFFFAOYSA-N 1 2 348.437 3.235 20 30 EGEDLO C#CCCCCCC(=O)N1CC[NH+](CCc2ccccc2F)CC1 ZINC001113204893 1369260659 /nfs/dbraw/zinc/26/06/59/1369260659.db2.gz BGFQZQCSUJOZSI-UHFFFAOYSA-N 1 2 330.447 3.096 20 30 EGEDLO C=CCCCC(=O)N1CC[NH+](CCOc2c(C)cccc2C)CC1 ZINC001113283617 1369316697 /nfs/dbraw/zinc/31/66/97/1369316697.db2.gz OXWDYLGAJPJPOV-UHFFFAOYSA-N 1 2 330.472 3.183 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](CC[C@H]3CC3(Cl)Cl)CC2)CCC1 ZINC001113313917 1369340853 /nfs/dbraw/zinc/34/08/53/1369340853.db2.gz BLYOORZNGHBECY-AWEZNQCLSA-N 1 2 345.314 3.461 20 30 EGEDLO Cc1cc(NCC(C)(C)CN(C)C(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001113425243 1369418821 /nfs/dbraw/zinc/41/88/21/1369418821.db2.gz MXZKZWDNPIPHGH-UHFFFAOYSA-N 1 2 342.487 3.218 20 30 EGEDLO C=CC[C@@H](C(=O)N1CC[NH+](Cc2cccnc2C)CC1)c1ccccc1 ZINC001113663018 1369550572 /nfs/dbraw/zinc/55/05/72/1369550572.db2.gz TWKZRGSITZLIFR-OAQYLSRUSA-N 1 2 349.478 3.394 20 30 EGEDLO C=CCCOCC(=O)N1CC[NH+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC001113709682 1369580323 /nfs/dbraw/zinc/58/03/23/1369580323.db2.gz YHAUEGCJUWKNQL-SNAWJCMRSA-N 1 2 348.874 3.090 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H](C)N(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001113821265 1369622517 /nfs/dbraw/zinc/62/25/17/1369622517.db2.gz AOTLBQDXZDEPFP-GDBMZVCRSA-N 1 2 344.503 3.207 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)N(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001113822471 1369623410 /nfs/dbraw/zinc/62/34/10/1369623410.db2.gz QMNVWPRBRZOVOD-HUUCEWRRSA-N 1 2 344.503 3.207 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H](C)N(C)c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001113850941 1369632851 /nfs/dbraw/zinc/63/28/51/1369632851.db2.gz CZBMSHUGUGCJLW-OAHLLOKOSA-N 1 2 342.487 3.350 20 30 EGEDLO CCC(CC)C(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001113907710 1369653113 /nfs/dbraw/zinc/65/31/13/1369653113.db2.gz NLHKPJPSPMXIPV-DZFIZOCASA-N 1 2 344.886 3.174 20 30 EGEDLO CCC(CC)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001113907710 1369653114 /nfs/dbraw/zinc/65/31/14/1369653114.db2.gz NLHKPJPSPMXIPV-DZFIZOCASA-N 1 2 344.886 3.174 20 30 EGEDLO C[N@@H+]1CCc2c(C#N)c(NC(=O)Nc3ccccc3F)sc2C1 ZINC001201987574 1369659617 /nfs/dbraw/zinc/65/96/17/1369659617.db2.gz OVKPKXGHWOPXEF-UHFFFAOYSA-N 1 2 330.388 3.391 20 30 EGEDLO C[N@H+]1CCc2c(C#N)c(NC(=O)Nc3ccccc3F)sc2C1 ZINC001201987574 1369659628 /nfs/dbraw/zinc/65/96/28/1369659628.db2.gz OVKPKXGHWOPXEF-UHFFFAOYSA-N 1 2 330.388 3.391 20 30 EGEDLO CCC[C@H](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114013957 1369685171 /nfs/dbraw/zinc/68/51/71/1369685171.db2.gz GBBWTRQVDNRJNW-RDOJZNBBSA-N 1 2 343.446 3.070 20 30 EGEDLO CCC[C@H](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114013957 1369685175 /nfs/dbraw/zinc/68/51/75/1369685175.db2.gz GBBWTRQVDNRJNW-RDOJZNBBSA-N 1 2 343.446 3.070 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)CC[C@@H]1C ZINC001114038995 1369697250 /nfs/dbraw/zinc/69/72/50/1369697250.db2.gz AJLDDTZGNUAOFU-WMLDXEAASA-N 1 2 342.487 3.350 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)CC[C@H]1C ZINC001114052201 1369705377 /nfs/dbraw/zinc/70/53/77/1369705377.db2.gz IOKHRNUYANVRKI-PBHICJAKSA-N 1 2 342.487 3.350 20 30 EGEDLO CC[C@@H](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001114191628 1369785459 /nfs/dbraw/zinc/78/54/59/1369785459.db2.gz JSLLZPSSCFNVKV-PYQAKABTSA-N 1 2 344.886 3.174 20 30 EGEDLO CC[C@@H](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001114191628 1369785462 /nfs/dbraw/zinc/78/54/62/1369785462.db2.gz JSLLZPSSCFNVKV-PYQAKABTSA-N 1 2 344.886 3.174 20 30 EGEDLO CCCC[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114204747 1369793026 /nfs/dbraw/zinc/79/30/26/1369793026.db2.gz ZCILSCJYBMDZNX-NOENWEJRSA-N 1 2 343.446 3.070 20 30 EGEDLO CCCC[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114204747 1369793029 /nfs/dbraw/zinc/79/30/29/1369793029.db2.gz ZCILSCJYBMDZNX-NOENWEJRSA-N 1 2 343.446 3.070 20 30 EGEDLO C#CCCCCCC(=O)N[C@H](CCCC)CNc1cc[nH+]c(C)n1 ZINC001114302550 1369868668 /nfs/dbraw/zinc/86/86/68/1369868668.db2.gz FDULMQPOZLZYQP-QGZVFWFLSA-N 1 2 330.476 3.456 20 30 EGEDLO C=CCC(CC=C)C(=O)NC1[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@@H]12 ZINC001114326561 1369887086 /nfs/dbraw/zinc/88/70/86/1369887086.db2.gz UQHGATDGKTWOEI-CIIJOBNLSA-N 1 2 329.271 3.120 20 30 EGEDLO C=CCC(CC=C)C(=O)NC1[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@@H]12 ZINC001114326561 1369887093 /nfs/dbraw/zinc/88/70/93/1369887093.db2.gz UQHGATDGKTWOEI-CIIJOBNLSA-N 1 2 329.271 3.120 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001114353434 1369907771 /nfs/dbraw/zinc/90/77/71/1369907771.db2.gz RYQNGQBGYSMSTA-OIPACUDHSA-N 1 2 345.487 3.436 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001114353434 1369907774 /nfs/dbraw/zinc/90/77/74/1369907774.db2.gz RYQNGQBGYSMSTA-OIPACUDHSA-N 1 2 345.487 3.436 20 30 EGEDLO N#Cc1ncc(Nc2ccc3[nH+]cc(Br)n3c2)cc1F ZINC001203049005 1369966892 /nfs/dbraw/zinc/96/68/92/1369966892.db2.gz GTAMUGIWQJJFGJ-UHFFFAOYSA-N 1 2 332.136 3.246 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H]2CN(c3cc[nH+]c(C)n3)C[C@@H]2C1 ZINC001114660034 1370012030 /nfs/dbraw/zinc/01/20/30/1370012030.db2.gz KPALEYIPKVKQJK-IXDOHACOSA-N 1 2 342.487 3.108 20 30 EGEDLO C=CCC(CC=C)C(=O)N1C[C@@H](CNc2cc[nH+]c(C)n2)C[C@H]1C ZINC001114690509 1370026840 /nfs/dbraw/zinc/02/68/40/1370026840.db2.gz BCKJXTHFXIFAPI-GDBMZVCRSA-N 1 2 328.460 3.202 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)CC(C)C ZINC001115108473 1370284572 /nfs/dbraw/zinc/28/45/72/1370284572.db2.gz NGVGLSHXBBPCSF-UYHMYPTGSA-N 1 2 343.309 3.014 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)CC(C)C ZINC001115108473 1370284575 /nfs/dbraw/zinc/28/45/75/1370284575.db2.gz NGVGLSHXBBPCSF-UYHMYPTGSA-N 1 2 343.309 3.014 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cscn3)C[C@H]21 ZINC001115165581 1370323084 /nfs/dbraw/zinc/32/30/84/1370323084.db2.gz KIERZOMJYKDVIZ-VQFNDLOPSA-N 1 2 335.517 3.440 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cscn3)C[C@H]21 ZINC001115165581 1370323092 /nfs/dbraw/zinc/32/30/92/1370323092.db2.gz KIERZOMJYKDVIZ-VQFNDLOPSA-N 1 2 335.517 3.440 20 30 EGEDLO C=C(C)[C@@H](CC(=O)NCC[C@@H](Nc1cc[nH+]c(C)n1)C(C)C)OCC ZINC001115337780 1370394310 /nfs/dbraw/zinc/39/43/10/1370394310.db2.gz OMFARGDUKUNYRZ-IAGOWNOFSA-N 1 2 348.491 3.099 20 30 EGEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccc3ccccc3n1)CC2 ZINC001204502065 1370494641 /nfs/dbraw/zinc/49/46/41/1370494641.db2.gz NZVSLEPEVCDZQS-UHFFFAOYSA-N 1 2 348.450 3.229 20 30 EGEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccc3ccccc3n1)CC2 ZINC001204502065 1370494642 /nfs/dbraw/zinc/49/46/42/1370494642.db2.gz NZVSLEPEVCDZQS-UHFFFAOYSA-N 1 2 348.450 3.229 20 30 EGEDLO C=CCCC1(C(=O)N(C)[C@H](CNc2cc[nH+]c(C)n2)C2CC2)CC1 ZINC001115574070 1370576918 /nfs/dbraw/zinc/57/69/18/1370576918.db2.gz OAWQNUVMKDZZNJ-MRXNPFEDSA-N 1 2 328.460 3.180 20 30 EGEDLO C=CCCCC(=O)NCC1([NH2+]Cc2noc(C(C)C)n2)CCCCC1 ZINC001115701200 1370682635 /nfs/dbraw/zinc/68/26/35/1370682635.db2.gz CBYRQUNHDOCRHD-UHFFFAOYSA-N 1 2 348.491 3.458 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(C)c(F)c1 ZINC001205227622 1370687829 /nfs/dbraw/zinc/68/78/29/1370687829.db2.gz JNKDHDFFYDIUSO-GOSISDBHSA-N 1 2 329.419 3.170 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(C)c(F)c1 ZINC001205227622 1370687834 /nfs/dbraw/zinc/68/78/34/1370687834.db2.gz JNKDHDFFYDIUSO-GOSISDBHSA-N 1 2 329.419 3.170 20 30 EGEDLO CC(C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001205950737 1370920452 /nfs/dbraw/zinc/92/04/52/1370920452.db2.gz IFOXQHRIICUFOM-RDTXWAMCSA-N 1 2 331.435 3.070 20 30 EGEDLO CC(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001205950737 1370920459 /nfs/dbraw/zinc/92/04/59/1370920459.db2.gz IFOXQHRIICUFOM-RDTXWAMCSA-N 1 2 331.435 3.070 20 30 EGEDLO Cc1nc(-c2ccc(C[NH+]3CCOCC3)cc2F)ccc1CC#N ZINC001206685485 1371132965 /nfs/dbraw/zinc/13/29/65/1371132965.db2.gz SZUXYHBYHBHANJ-UHFFFAOYSA-N 1 2 325.387 3.094 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CCCC)C1 ZINC001206926779 1371229154 /nfs/dbraw/zinc/22/91/54/1371229154.db2.gz CSQFMRMVCDGVON-OUCADQQQSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CCCC)C1 ZINC001206926779 1371229158 /nfs/dbraw/zinc/22/91/58/1371229158.db2.gz CSQFMRMVCDGVON-OUCADQQQSA-N 1 2 331.298 3.158 20 30 EGEDLO CC/C(C)=C/C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206936344 1371232706 /nfs/dbraw/zinc/23/27/06/1371232706.db2.gz RFAGNKAYSXXBRK-FESITFKDSA-N 1 2 344.886 3.484 20 30 EGEDLO CC/C(C)=C/C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206936344 1371232712 /nfs/dbraw/zinc/23/27/12/1371232712.db2.gz RFAGNKAYSXXBRK-FESITFKDSA-N 1 2 344.886 3.484 20 30 EGEDLO Cn1cc(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)cc1C#N ZINC001207108567 1371295283 /nfs/dbraw/zinc/29/52/83/1371295283.db2.gz MIEXYTBAEATJJK-HOTGVXAUSA-N 1 2 326.831 3.013 20 30 EGEDLO Cn1cc(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)cc1C#N ZINC001207108567 1371295285 /nfs/dbraw/zinc/29/52/85/1371295285.db2.gz MIEXYTBAEATJJK-HOTGVXAUSA-N 1 2 326.831 3.013 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ncc(C)o2)C[C@H]1C ZINC001207108061 1371295491 /nfs/dbraw/zinc/29/54/91/1371295491.db2.gz VSUBBPKJHJPKLE-UKPHBRMFSA-N 1 2 331.460 3.249 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ncc(C)o2)C[C@H]1C ZINC001207108061 1371295497 /nfs/dbraw/zinc/29/54/97/1371295497.db2.gz VSUBBPKJHJPKLE-UKPHBRMFSA-N 1 2 331.460 3.249 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)oc2C)C[C@H]1C ZINC001207145794 1371309632 /nfs/dbraw/zinc/30/96/32/1371309632.db2.gz MGXQINJZIIYDEN-QMTHXVAHSA-N 1 2 339.867 3.007 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2nc(C)oc2C)C[C@H]1C ZINC001207145794 1371309637 /nfs/dbraw/zinc/30/96/37/1371309637.db2.gz MGXQINJZIIYDEN-QMTHXVAHSA-N 1 2 339.867 3.007 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C(C)C)o3)C[C@H]21 ZINC001187591481 1388128817 /nfs/dbraw/zinc/12/88/17/1388128817.db2.gz OFXFYMZKECAHSW-DLBZAZTESA-N 1 2 343.471 3.024 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C(C)C)o3)C[C@H]21 ZINC001187591481 1388128818 /nfs/dbraw/zinc/12/88/18/1388128818.db2.gz OFXFYMZKECAHSW-DLBZAZTESA-N 1 2 343.471 3.024 20 30 EGEDLO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCn3nc(C(F)(F)F)nc3C2)CC1 ZINC001208170974 1371616595 /nfs/dbraw/zinc/61/65/95/1371616595.db2.gz VLQQSRODRQNPBZ-CYBMUJFWSA-N 1 2 326.366 3.415 20 30 EGEDLO C=C(C)[C@@H]1CC=C(C[N@H+]2CCn3nc(C(F)(F)F)nc3C2)CC1 ZINC001208170974 1371616598 /nfs/dbraw/zinc/61/65/98/1371616598.db2.gz VLQQSRODRQNPBZ-CYBMUJFWSA-N 1 2 326.366 3.415 20 30 EGEDLO N#Cc1cc(F)cc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC001208345810 1371727643 /nfs/dbraw/zinc/72/76/43/1371727643.db2.gz CCTVNIPGBRTIIG-UHFFFAOYSA-N 1 2 349.369 3.264 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ncc(C)o3)C[C@H]2C)CC1 ZINC001208500324 1371788916 /nfs/dbraw/zinc/78/89/16/1371788916.db2.gz NONHNLBSIDDEGB-VNQPRFMTSA-N 1 2 331.460 3.227 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3ncc(C)o3)C[C@H]2C)CC1 ZINC001208500324 1371788922 /nfs/dbraw/zinc/78/89/22/1371788922.db2.gz NONHNLBSIDDEGB-VNQPRFMTSA-N 1 2 331.460 3.227 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccncc2Cl)C[C@H]1C ZINC001208509010 1371792360 /nfs/dbraw/zinc/79/23/60/1371792360.db2.gz ORVJAVYMCREFSB-QBIMZIAESA-N 1 2 335.879 3.274 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccncc2Cl)C[C@H]1C ZINC001208509010 1371792361 /nfs/dbraw/zinc/79/23/61/1371792361.db2.gz ORVJAVYMCREFSB-QBIMZIAESA-N 1 2 335.879 3.274 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3coc(C4CC4)n3)C[C@H]2C)CC1 ZINC001208515546 1371796495 /nfs/dbraw/zinc/79/64/95/1371796495.db2.gz SFCIIIFUJJWZNC-RHSMWYFYSA-N 1 2 343.471 3.235 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3coc(C4CC4)n3)C[C@H]2C)CC1 ZINC001208515546 1371796497 /nfs/dbraw/zinc/79/64/97/1371796497.db2.gz SFCIIIFUJJWZNC-RHSMWYFYSA-N 1 2 343.471 3.235 20 30 EGEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(CCC)CCC ZINC001121493184 1371990892 /nfs/dbraw/zinc/99/08/92/1371990892.db2.gz WNGVUNXSJJSHFT-IRXDYDNUSA-N 1 2 347.507 3.016 20 30 EGEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(CCC)CCC ZINC001121493184 1371990897 /nfs/dbraw/zinc/99/08/97/1371990897.db2.gz WNGVUNXSJJSHFT-IRXDYDNUSA-N 1 2 347.507 3.016 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[C@H]([NH2+]Cc2nc(C3CCC3)no2)C1 ZINC001209183567 1372028875 /nfs/dbraw/zinc/02/88/75/1372028875.db2.gz OPYUKDSNQHBKCT-ZBFHGGJFSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC001209185817 1372030730 /nfs/dbraw/zinc/03/07/30/1372030730.db2.gz XMQACUGLCWWAOR-LSDHHAIUSA-N 1 2 348.491 3.050 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC001209344434 1372072476 /nfs/dbraw/zinc/07/24/76/1372072476.db2.gz DUBNHERBBZFTJO-LSDHHAIUSA-N 1 2 348.491 3.365 20 30 EGEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(CC)CCC ZINC001122540659 1372269622 /nfs/dbraw/zinc/26/96/22/1372269622.db2.gz YJSMWYXSXZYIAZ-IRXDYDNUSA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(CC)CCC ZINC001122540659 1372269631 /nfs/dbraw/zinc/26/96/31/1372269631.db2.gz YJSMWYXSXZYIAZ-IRXDYDNUSA-N 1 2 347.507 3.016 20 30 EGEDLO CC(C)(C)c1cc(CN2CC[NH2+]C[C@H]2C#N)cc(C(C)(C)C)c1O ZINC001210123016 1372276348 /nfs/dbraw/zinc/27/63/48/1372276348.db2.gz XTZKILXEBGKEOC-OAHLLOKOSA-N 1 2 329.488 3.285 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001122622843 1372285392 /nfs/dbraw/zinc/28/53/92/1372285392.db2.gz KCSKXVBYMDOJQT-CVEARBPZSA-N 1 2 347.507 3.015 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001122622843 1372285396 /nfs/dbraw/zinc/28/53/96/1372285396.db2.gz KCSKXVBYMDOJQT-CVEARBPZSA-N 1 2 347.507 3.015 20 30 EGEDLO Cc1cc(CN2CC[NH2+]C[C@@H]2C#N)c(OCc2ccccc2)cc1C ZINC001210196585 1372291816 /nfs/dbraw/zinc/29/18/16/1372291816.db2.gz QDRIJOQWEUURHE-FQEVSTJZSA-N 1 2 335.451 3.180 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ncccn2)C[C@H]1C ZINC001210547629 1372376401 /nfs/dbraw/zinc/37/64/01/1372376401.db2.gz QZNCXHRWYSZMDS-IAGOWNOFSA-N 1 2 332.492 3.164 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ncccn2)C[C@H]1C ZINC001210547629 1372376407 /nfs/dbraw/zinc/37/64/07/1372376407.db2.gz QZNCXHRWYSZMDS-IAGOWNOFSA-N 1 2 332.492 3.164 20 30 EGEDLO C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001187978267 1388204114 /nfs/dbraw/zinc/20/41/14/1388204114.db2.gz GYZLVZLMHYLQDY-MJBXVCDLSA-N 1 2 336.373 3.166 20 30 EGEDLO C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001187978267 1388204117 /nfs/dbraw/zinc/20/41/17/1388204117.db2.gz GYZLVZLMHYLQDY-MJBXVCDLSA-N 1 2 336.373 3.166 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001123652107 1372541127 /nfs/dbraw/zinc/54/11/27/1372541127.db2.gz CRALQILDQRMWOT-GDBMZVCRSA-N 1 2 330.476 3.088 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@H](CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001123760301 1372579619 /nfs/dbraw/zinc/57/96/19/1372579619.db2.gz ITUUSTDMQLYDOW-JKSUJKDBSA-N 1 2 342.487 3.327 20 30 EGEDLO Cc1cc(N[C@@H]2CN(C(=O)C#CC(C)C)CC2(C)C)nc(C(C)C)[nH+]1 ZINC001123947893 1372635331 /nfs/dbraw/zinc/63/53/31/1372635331.db2.gz VPGKDTOMCRMIKU-MRXNPFEDSA-N 1 2 342.487 3.217 20 30 EGEDLO Cc1cc(NC[C@H](NC(=O)[C@H](C)C#N)C(C)(C)C)nc(C(C)C)[nH+]1 ZINC001125822797 1372864463 /nfs/dbraw/zinc/86/44/63/1372864463.db2.gz UGBYYRHWWOOFCY-OCCSQVGLSA-N 1 2 331.464 3.011 20 30 EGEDLO N#CC1(c2cccc(Nc3ccc(N4CCC(O)CC4)[nH+]c3)c2)CC1 ZINC001213313816 1372881681 /nfs/dbraw/zinc/88/16/81/1372881681.db2.gz GEEYFOPLSLXLMU-UHFFFAOYSA-N 1 2 334.423 3.341 20 30 EGEDLO C=CCCC(=O)N[C@H](C)C1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001126599195 1372981181 /nfs/dbraw/zinc/98/11/81/1372981181.db2.gz WLHSFECPWLAUEE-OAHLLOKOSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C(C)CCC(=O)N[C@H](C)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001126654175 1372991390 /nfs/dbraw/zinc/99/13/90/1372991390.db2.gz ABCMJFLZYGRISZ-MRXNPFEDSA-N 1 2 344.503 3.479 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H](C)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001126762956 1373017227 /nfs/dbraw/zinc/01/72/27/1373017227.db2.gz VNXVCESSJHICSV-HNNXBMFYSA-N 1 2 344.503 3.335 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H](C)C2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC001126772664 1373019729 /nfs/dbraw/zinc/01/97/29/1373019729.db2.gz SMWBDLHANVVBMK-HNNXBMFYSA-N 1 2 342.487 3.253 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H](C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001126775739 1373020677 /nfs/dbraw/zinc/02/06/77/1373020677.db2.gz KFIMEDFNWNEOEW-AWEZNQCLSA-N 1 2 330.476 3.108 20 30 EGEDLO CC#CCCCC(=O)N(CC)[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001126819275 1373034919 /nfs/dbraw/zinc/03/49/19/1373034919.db2.gz RGBFSNIJLWBBBF-GOSISDBHSA-N 1 2 342.487 3.186 20 30 EGEDLO C=CCCC(=O)NCc1cnn2c1C[N@H+](CCCCCCC)CC2 ZINC001128251309 1373240962 /nfs/dbraw/zinc/24/09/62/1373240962.db2.gz XHUFNLOCGWHLCG-UHFFFAOYSA-N 1 2 332.492 3.252 20 30 EGEDLO C=CCCC(=O)NCc1cnn2c1C[N@@H+](CCCCCCC)CC2 ZINC001128251309 1373240965 /nfs/dbraw/zinc/24/09/65/1373240965.db2.gz XHUFNLOCGWHLCG-UHFFFAOYSA-N 1 2 332.492 3.252 20 30 EGEDLO CCCCCCCCC(=O)NCc1cnn2c1C[N@H+](CCC)CC2 ZINC001128560335 1373291091 /nfs/dbraw/zinc/29/10/91/1373291091.db2.gz NTRISTVJPXTBJY-UHFFFAOYSA-N 1 2 334.508 3.476 20 30 EGEDLO CCCCCCCCC(=O)NCc1cnn2c1C[N@@H+](CCC)CC2 ZINC001128560335 1373291095 /nfs/dbraw/zinc/29/10/95/1373291095.db2.gz NTRISTVJPXTBJY-UHFFFAOYSA-N 1 2 334.508 3.476 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@]3(C)CC=C(C)CC3)c2C1 ZINC001128587181 1373294813 /nfs/dbraw/zinc/29/48/13/1373294813.db2.gz TWIOXCZXIKHUAC-HXUWFJFHSA-N 1 2 342.487 3.028 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@]3(C)CC=C(C)CC3)c2C1 ZINC001128587181 1373294815 /nfs/dbraw/zinc/29/48/15/1373294815.db2.gz TWIOXCZXIKHUAC-HXUWFJFHSA-N 1 2 342.487 3.028 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)CCCC(C)C)C[C@H](C)O2 ZINC001131688163 1373763447 /nfs/dbraw/zinc/76/34/47/1373763447.db2.gz HOQRDBCGDAHQSH-WMZOPIPTSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CCCC(C)C)C[C@H](C)O2 ZINC001131688163 1373763449 /nfs/dbraw/zinc/76/34/49/1373763449.db2.gz HOQRDBCGDAHQSH-WMZOPIPTSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)CCCCCC)C[C@H](C)O2 ZINC001131696872 1373768563 /nfs/dbraw/zinc/76/85/63/1373768563.db2.gz CBQRZRVEJREKHF-WMZOPIPTSA-N 1 2 342.911 3.401 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CCCCCC)C[C@H](C)O2 ZINC001131696872 1373768565 /nfs/dbraw/zinc/76/85/65/1373768565.db2.gz CBQRZRVEJREKHF-WMZOPIPTSA-N 1 2 342.911 3.401 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)OCCCCCC)[C@@H]2C1 ZINC001221546493 1373778702 /nfs/dbraw/zinc/77/87/02/1373778702.db2.gz WLQPPGPQYSXUPJ-GVDBMIGSSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)OCCCCCC)[C@@H]2C1 ZINC001221546493 1373778705 /nfs/dbraw/zinc/77/87/05/1373778705.db2.gz WLQPPGPQYSXUPJ-GVDBMIGSSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)CCC(C)C)CC[C@H]1C ZINC001131788910 1373807227 /nfs/dbraw/zinc/80/72/27/1373807227.db2.gz YXSHDYKCROWURA-ZIAGYGMSSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)CCC(C)C)CC[C@H]1C ZINC001131788910 1373807231 /nfs/dbraw/zinc/80/72/31/1373807231.db2.gz YXSHDYKCROWURA-ZIAGYGMSSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)CCC(C)C)CC[C@H]1C ZINC001131788907 1373807357 /nfs/dbraw/zinc/80/73/57/1373807357.db2.gz YXSHDYKCROWURA-KGLIPLIRSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)CCC(C)C)CC[C@H]1C ZINC001131788907 1373807360 /nfs/dbraw/zinc/80/73/60/1373807360.db2.gz YXSHDYKCROWURA-KGLIPLIRSA-N 1 2 331.298 3.300 20 30 EGEDLO CCOC(=O)Cc1ccc(C(=O)/C=C\c2ccc[nH+]c2N(C)C)cc1 ZINC001326690856 1388283076 /nfs/dbraw/zinc/28/30/76/1388283076.db2.gz SNPDSWVZPXCVJM-QXMHVHEDSA-N 1 2 338.407 3.149 20 30 EGEDLO CCCSCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001131848926 1373835206 /nfs/dbraw/zinc/83/52/06/1373835206.db2.gz PKDIAJJNCNOIFU-MAUKXSAKSA-N 1 2 345.512 3.171 20 30 EGEDLO CCCSCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001131848926 1373835210 /nfs/dbraw/zinc/83/52/10/1373835210.db2.gz PKDIAJJNCNOIFU-MAUKXSAKSA-N 1 2 345.512 3.171 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2nc(C)cs2)C1 ZINC001131971337 1375076504 /nfs/dbraw/zinc/07/65/04/1375076504.db2.gz GQGLLLVRFDXQFQ-JKSUJKDBSA-N 1 2 333.501 3.114 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2nc(C)cs2)C1 ZINC001131971337 1375076505 /nfs/dbraw/zinc/07/65/05/1375076505.db2.gz GQGLLLVRFDXQFQ-JKSUJKDBSA-N 1 2 333.501 3.114 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ncoc2C(C)C)C1 ZINC001132003360 1375093320 /nfs/dbraw/zinc/09/33/20/1375093320.db2.gz UIJDRAHHAWZJQT-HOTGVXAUSA-N 1 2 331.460 3.071 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001132003360 1375093321 /nfs/dbraw/zinc/09/33/21/1375093321.db2.gz UIJDRAHHAWZJQT-HOTGVXAUSA-N 1 2 331.460 3.071 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1c(F)cccc1Cl ZINC001132033693 1375108844 /nfs/dbraw/zinc/10/88/44/1375108844.db2.gz JVPQIINWVSMFAT-ZFWWWQNUSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1c(F)cccc1Cl ZINC001132033693 1375108847 /nfs/dbraw/zinc/10/88/47/1375108847.db2.gz JVPQIINWVSMFAT-ZFWWWQNUSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1ccnc(Cl)c1 ZINC001132034787 1375109323 /nfs/dbraw/zinc/10/93/23/1375109323.db2.gz VIDRJFSGBPHVNJ-GOEBONIOSA-N 1 2 347.890 3.254 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1ccnc(Cl)c1 ZINC001132034787 1375109329 /nfs/dbraw/zinc/10/93/29/1375109329.db2.gz VIDRJFSGBPHVNJ-GOEBONIOSA-N 1 2 347.890 3.254 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1ccnc(Cl)c1 ZINC001132034786 1375110008 /nfs/dbraw/zinc/11/00/08/1375110008.db2.gz VIDRJFSGBPHVNJ-GDBMZVCRSA-N 1 2 347.890 3.254 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1ccnc(Cl)c1 ZINC001132034786 1375110011 /nfs/dbraw/zinc/11/00/11/1375110011.db2.gz VIDRJFSGBPHVNJ-GDBMZVCRSA-N 1 2 347.890 3.254 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=C)Br)C1 ZINC001132065592 1375128886 /nfs/dbraw/zinc/12/88/86/1375128886.db2.gz WNLMFCOSIRPKLB-KBPBESRZSA-N 1 2 329.282 3.220 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=C)Br)C1 ZINC001132065592 1375128888 /nfs/dbraw/zinc/12/88/88/1375128888.db2.gz WNLMFCOSIRPKLB-KBPBESRZSA-N 1 2 329.282 3.220 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ncc(CC)o2)C1 ZINC001132067970 1375130188 /nfs/dbraw/zinc/13/01/88/1375130188.db2.gz BYXDEHVPTAEMRE-GJZGRUSLSA-N 1 2 333.476 3.308 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ncc(CC)o2)C1 ZINC001132067970 1375130191 /nfs/dbraw/zinc/13/01/91/1375130191.db2.gz BYXDEHVPTAEMRE-GJZGRUSLSA-N 1 2 333.476 3.308 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=C)Br)C1 ZINC001132069043 1375131197 /nfs/dbraw/zinc/13/11/97/1375131197.db2.gz NPVASQIWCJMOJL-KBPBESRZSA-N 1 2 343.309 3.466 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=C)Br)C1 ZINC001132069043 1375131200 /nfs/dbraw/zinc/13/12/00/1375131200.db2.gz NPVASQIWCJMOJL-KBPBESRZSA-N 1 2 343.309 3.466 20 30 EGEDLO CC(C)CC(=O)NC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC001225883773 1375168751 /nfs/dbraw/zinc/16/87/51/1375168751.db2.gz JHMHBQLAOAEGCL-UHFFFAOYSA-N 1 2 332.875 3.318 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(F)cn2)C1 ZINC001132218564 1375216862 /nfs/dbraw/zinc/21/68/62/1375216862.db2.gz RUMNWZXROBHNLG-YOEHRIQHSA-N 1 2 333.451 3.292 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccc(F)cn2)C1 ZINC001132218564 1375216863 /nfs/dbraw/zinc/21/68/63/1375216863.db2.gz RUMNWZXROBHNLG-YOEHRIQHSA-N 1 2 333.451 3.292 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001132218834 1375217422 /nfs/dbraw/zinc/21/74/22/1375217422.db2.gz WVZHXUBVFOUEDW-HIFRSBDPSA-N 1 2 335.879 3.416 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cccc(Cl)n2)C1 ZINC001132218834 1375217425 /nfs/dbraw/zinc/21/74/25/1375217425.db2.gz WVZHXUBVFOUEDW-HIFRSBDPSA-N 1 2 335.879 3.416 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ncc(C)s2)C1 ZINC001132235900 1375232098 /nfs/dbraw/zinc/23/20/98/1375232098.db2.gz VECBZDLRPPWERB-GDBMZVCRSA-N 1 2 333.501 3.114 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ncc(C)s2)C1 ZINC001132235900 1375232103 /nfs/dbraw/zinc/23/21/03/1375232103.db2.gz VECBZDLRPPWERB-GDBMZVCRSA-N 1 2 333.501 3.114 20 30 EGEDLO CC(C)[C@@H](C)CC(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001226535294 1375277934 /nfs/dbraw/zinc/27/79/34/1375277934.db2.gz SEDQNDVSTZOYOF-HNNXBMFYSA-N 1 2 345.462 3.460 20 30 EGEDLO CC(C)(C)/C=C\C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001226633524 1375296944 /nfs/dbraw/zinc/29/69/44/1375296944.db2.gz UCSIIFNBJHXONP-TWGQIWQCSA-N 1 2 343.446 3.380 20 30 EGEDLO CC[C@H](C)CC(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001227068381 1375384115 /nfs/dbraw/zinc/38/41/15/1375384115.db2.gz BDHBJNXOIICVCR-AWEZNQCLSA-N 1 2 331.435 3.214 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(=C)Cl)C2)CCOCC1 ZINC001132453141 1375395850 /nfs/dbraw/zinc/39/58/50/1375395850.db2.gz JXMWMRWRORTOAB-HOTGVXAUSA-N 1 2 340.895 3.081 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(=C)Cl)C2)CCOCC1 ZINC001132453141 1375395854 /nfs/dbraw/zinc/39/58/54/1375395854.db2.gz JXMWMRWRORTOAB-HOTGVXAUSA-N 1 2 340.895 3.081 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCOc2ccccc2)CC[C@H]1C ZINC001132500277 1375427176 /nfs/dbraw/zinc/42/71/76/1375427176.db2.gz OTCPRJAMYIXZAQ-HZPDHXFCSA-N 1 2 336.863 3.177 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCOc2ccccc2)CC[C@H]1C ZINC001132500277 1375427186 /nfs/dbraw/zinc/42/71/86/1375427186.db2.gz OTCPRJAMYIXZAQ-HZPDHXFCSA-N 1 2 336.863 3.177 20 30 EGEDLO CCCCCCC[NH+]1CCC(NC(=O)C(F)C(F)(F)F)CC1 ZINC001227482050 1375436060 /nfs/dbraw/zinc/43/60/60/1375436060.db2.gz YTWFIZROABWKMW-CYBMUJFWSA-N 1 2 326.378 3.438 20 30 EGEDLO CCCCCCC[NH+]1CCC(NC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001227482050 1375436070 /nfs/dbraw/zinc/43/60/70/1375436070.db2.gz YTWFIZROABWKMW-CYBMUJFWSA-N 1 2 326.378 3.438 20 30 EGEDLO C=CC(C)(C)CC(=O)NC1CC[NH+]([C@H](C)c2nnc(C)s2)CC1 ZINC001227561744 1375443301 /nfs/dbraw/zinc/44/33/01/1375443301.db2.gz FTRCFIJQWQCYHB-GFCCVEGCSA-N 1 2 336.505 3.090 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3ccn(C)n3)C2)CCCC1 ZINC001132547151 1375454850 /nfs/dbraw/zinc/45/48/50/1375454850.db2.gz XRUGBCTUIBNTOW-IRXDYDNUSA-N 1 2 344.503 3.026 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3ccn(C)n3)C2)CCCC1 ZINC001132547151 1375454856 /nfs/dbraw/zinc/45/48/56/1375454856.db2.gz XRUGBCTUIBNTOW-IRXDYDNUSA-N 1 2 344.503 3.026 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC001227917307 1375490884 /nfs/dbraw/zinc/49/08/84/1375490884.db2.gz RDLYXAWCEKJFHE-HUUCEWRRSA-N 1 2 346.475 3.066 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC001228786110 1375675222 /nfs/dbraw/zinc/67/52/22/1375675222.db2.gz CBACIJGFIUOSKA-CQSZACIVSA-N 1 2 331.460 3.235 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001228801756 1375681931 /nfs/dbraw/zinc/68/19/31/1375681931.db2.gz XEGNZMIBBHLITB-AWEZNQCLSA-N 1 2 331.460 3.235 20 30 EGEDLO C=CCC1(C(=O)NC2CC[NH+](Cc3csc(C)n3)CC2)CCC1 ZINC001229025373 1375742561 /nfs/dbraw/zinc/74/25/61/1375742561.db2.gz ZNNSQRLUDPNMEM-UHFFFAOYSA-N 1 2 333.501 3.279 20 30 EGEDLO C=CCC1(C(=O)NC2CC[NH+](Cc3ccn(C(C)C)n3)CC2)CCC1 ZINC001229024691 1375743048 /nfs/dbraw/zinc/74/30/48/1375743048.db2.gz NNLAKZWRSDOWMX-UHFFFAOYSA-N 1 2 344.503 3.291 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)CCC(C)(C)C)CC1 ZINC001229670925 1375875464 /nfs/dbraw/zinc/87/54/64/1375875464.db2.gz PYWTXOXUQWINRP-UHFFFAOYSA-N 1 2 331.298 3.302 20 30 EGEDLO CC#C[C@H](CC)Oc1ccc2c(c1)[C@H]1OCC[N@@H+](CCC)[C@@H]1CO2 ZINC001230426935 1376028342 /nfs/dbraw/zinc/02/83/42/1376028342.db2.gz JFSUDNJYDPHSGD-QKYXUNIQSA-N 1 2 329.440 3.412 20 30 EGEDLO CC#C[C@H](CC)Oc1ccc2c(c1)[C@H]1OCC[N@H+](CCC)[C@@H]1CO2 ZINC001230426935 1376028349 /nfs/dbraw/zinc/02/83/49/1376028349.db2.gz JFSUDNJYDPHSGD-QKYXUNIQSA-N 1 2 329.440 3.412 20 30 EGEDLO C=CCC1(C(=O)NC2CC[NH+]([C@@H](C)c3nc(C)no3)CC2)CCCC1 ZINC001230475809 1376036093 /nfs/dbraw/zinc/03/60/93/1376036093.db2.gz SOOCNQFGWYKJDL-AWEZNQCLSA-N 1 2 346.475 3.156 20 30 EGEDLO CC[C@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC001230806009 1376154532 /nfs/dbraw/zinc/15/45/32/1376154532.db2.gz BJYNLOQDTZECQI-YJBOKZPZSA-N 1 2 332.875 3.270 20 30 EGEDLO CC[C@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001230806009 1376154535 /nfs/dbraw/zinc/15/45/35/1376154535.db2.gz BJYNLOQDTZECQI-YJBOKZPZSA-N 1 2 332.875 3.270 20 30 EGEDLO COc1cc(C#N)ccc1C[N@@H+]1CCO[C@](C)(c2ccc(F)cc2)C1 ZINC001231620361 1376282906 /nfs/dbraw/zinc/28/29/06/1376282906.db2.gz XJKHCWHPJQVKRM-FQEVSTJZSA-N 1 2 340.398 3.454 20 30 EGEDLO COc1cc(C#N)ccc1C[N@H+]1CCO[C@](C)(c2ccc(F)cc2)C1 ZINC001231620361 1376282909 /nfs/dbraw/zinc/28/29/09/1376282909.db2.gz XJKHCWHPJQVKRM-FQEVSTJZSA-N 1 2 340.398 3.454 20 30 EGEDLO O=C1C=C2C[N@H+](Cc3ccc(-n4cccn4)cc3Cl)CC[C@@H]2S1 ZINC001232594015 1376484952 /nfs/dbraw/zinc/48/49/52/1376484952.db2.gz FMGYCKXDSNIGJJ-INIZCTEOSA-N 1 2 345.855 3.300 20 30 EGEDLO O=C1C=C2C[N@@H+](Cc3ccc(-n4cccn4)cc3Cl)CC[C@@H]2S1 ZINC001232594015 1376484956 /nfs/dbraw/zinc/48/49/56/1376484956.db2.gz FMGYCKXDSNIGJJ-INIZCTEOSA-N 1 2 345.855 3.300 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@]12CC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001232889799 1376534421 /nfs/dbraw/zinc/53/44/21/1376534421.db2.gz PSQUNTVCXZAPIS-IBGZPJMESA-N 1 2 345.418 3.283 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@]12CC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001232889799 1376534425 /nfs/dbraw/zinc/53/44/25/1376534425.db2.gz PSQUNTVCXZAPIS-IBGZPJMESA-N 1 2 345.418 3.283 20 30 EGEDLO CC(C)(C)OC(=O)N1CC2(C1)CC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001232889793 1376534498 /nfs/dbraw/zinc/53/44/98/1376534498.db2.gz PSEXTLCPNBRKGJ-UHFFFAOYSA-N 1 2 345.418 3.140 20 30 EGEDLO CC(C)(C)OC(=O)N1CC2(C1)CC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001232889793 1376534501 /nfs/dbraw/zinc/53/45/01/1376534501.db2.gz PSEXTLCPNBRKGJ-UHFFFAOYSA-N 1 2 345.418 3.140 20 30 EGEDLO N#Cc1ccc(F)cc1CN1CC[C@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001232892295 1376535494 /nfs/dbraw/zinc/53/54/94/1376535494.db2.gz GREYRWDPUJDRAL-KRWDZBQOSA-N 1 2 337.389 3.393 20 30 EGEDLO Cc1ccc(C[N@@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)c(C#N)c1 ZINC001232963378 1376548504 /nfs/dbraw/zinc/54/85/04/1376548504.db2.gz FSKBKWLZCPCCOG-SJLPKXTDSA-N 1 2 341.455 3.308 20 30 EGEDLO Cc1ccc(C[N@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)c(C#N)c1 ZINC001232963378 1376548505 /nfs/dbraw/zinc/54/85/05/1376548505.db2.gz FSKBKWLZCPCCOG-SJLPKXTDSA-N 1 2 341.455 3.308 20 30 EGEDLO C#CC[NH+](CC#C)Cc1ccc(Cl)c(I)c1 ZINC001233355521 1376626933 /nfs/dbraw/zinc/62/69/33/1376626933.db2.gz ABYAUACTIONLGD-UHFFFAOYSA-N 1 2 343.595 3.013 20 30 EGEDLO CC[C@@H](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001233927617 1376738792 /nfs/dbraw/zinc/73/87/92/1376738792.db2.gz YPZZKRDWVYGDKP-VQIMIIECSA-N 1 2 330.447 3.146 20 30 EGEDLO CC[C@@H](C)CC(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001233927617 1376738795 /nfs/dbraw/zinc/73/87/95/1376738795.db2.gz YPZZKRDWVYGDKP-VQIMIIECSA-N 1 2 330.447 3.146 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC001233965791 1376745780 /nfs/dbraw/zinc/74/57/80/1376745780.db2.gz FKVJFXFRKMMDQH-IBGZPJMESA-N 1 2 342.870 3.028 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001233965791 1376745784 /nfs/dbraw/zinc/74/57/84/1376745784.db2.gz FKVJFXFRKMMDQH-IBGZPJMESA-N 1 2 342.870 3.028 20 30 EGEDLO Cc1ccc(C[N@H+]2CC[C@H]2CN(C)C(=O)C#CC(C)C)c(Cl)c1 ZINC001234163071 1376781926 /nfs/dbraw/zinc/78/19/26/1376781926.db2.gz XKSRBYZAVDLUMT-KRWDZBQOSA-N 1 2 332.875 3.341 20 30 EGEDLO Cc1ccc(C[N@@H+]2CC[C@H]2CN(C)C(=O)C#CC(C)C)c(Cl)c1 ZINC001234163071 1376781933 /nfs/dbraw/zinc/78/19/33/1376781933.db2.gz XKSRBYZAVDLUMT-KRWDZBQOSA-N 1 2 332.875 3.341 20 30 EGEDLO CC(C)(C)OC(=O)NCC1C[NH+](Cc2ccc(C#N)cc2Cl)C1 ZINC001238083711 1376993354 /nfs/dbraw/zinc/99/33/54/1376993354.db2.gz VUQIUHNXQKVPFD-UHFFFAOYSA-N 1 2 335.835 3.168 20 30 EGEDLO C[N@@H+]1CCc2oc(-c3ccc(-c4cnc(C#N)c(F)c4)cc3)nc2C1 ZINC001238996462 1377005392 /nfs/dbraw/zinc/00/53/92/1377005392.db2.gz VYMLIZYUUVCGJD-UHFFFAOYSA-N 1 2 334.354 3.402 20 30 EGEDLO C[N@H+]1CCc2oc(-c3ccc(-c4cnc(C#N)c(F)c4)cc3)nc2C1 ZINC001238996462 1377005397 /nfs/dbraw/zinc/00/53/97/1377005397.db2.gz VYMLIZYUUVCGJD-UHFFFAOYSA-N 1 2 334.354 3.402 20 30 EGEDLO COc1ccc(-c2cc(C[NH+]3CCOCC3)ccc2F)cc1C#N ZINC001244711243 1377039517 /nfs/dbraw/zinc/03/95/17/1377039517.db2.gz ZTSPCWLHDAEOKY-UHFFFAOYSA-N 1 2 326.371 3.205 20 30 EGEDLO CCCC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)CCC1 ZINC001266336750 1377280589 /nfs/dbraw/zinc/28/05/89/1377280589.db2.gz VOXCFQRFAJAABS-GOSISDBHSA-N 1 2 325.456 3.219 20 30 EGEDLO CCCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CCC1 ZINC001266336750 1377280591 /nfs/dbraw/zinc/28/05/91/1377280591.db2.gz VOXCFQRFAJAABS-GOSISDBHSA-N 1 2 325.456 3.219 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(=O)CC1CCC1 ZINC001266840087 1377389513 /nfs/dbraw/zinc/38/95/13/1377389513.db2.gz OLXXLLVVYHQNJM-AWEZNQCLSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H]1CNC(=O)CC1CCC1 ZINC001266840087 1377389516 /nfs/dbraw/zinc/38/95/16/1377389516.db2.gz OLXXLLVVYHQNJM-AWEZNQCLSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cc2ccccc2n1CC ZINC001267257496 1377434103 /nfs/dbraw/zinc/43/41/03/1377434103.db2.gz XSFRKRZJGZSVTC-UHFFFAOYSA-N 1 2 333.863 3.465 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cc2ccccc2n1CC ZINC001267257496 1377434105 /nfs/dbraw/zinc/43/41/05/1377434105.db2.gz XSFRKRZJGZSVTC-UHFFFAOYSA-N 1 2 333.863 3.465 20 30 EGEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)c1ccccc1 ZINC001267308993 1377438700 /nfs/dbraw/zinc/43/87/00/1377438700.db2.gz DAHRITNAIWJXQT-UHFFFAOYSA-N 1 2 325.250 3.037 20 30 EGEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1ccccc1 ZINC001267308993 1377438701 /nfs/dbraw/zinc/43/87/01/1377438701.db2.gz DAHRITNAIWJXQT-UHFFFAOYSA-N 1 2 325.250 3.037 20 30 EGEDLO CC(C)C(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001267937514 1377477931 /nfs/dbraw/zinc/47/79/31/1377477931.db2.gz OIMHPHRTLUEJCU-QGZVFWFLSA-N 1 2 345.462 3.460 20 30 EGEDLO CC(C)C(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001267937514 1377477932 /nfs/dbraw/zinc/47/79/32/1377477932.db2.gz OIMHPHRTLUEJCU-QGZVFWFLSA-N 1 2 345.462 3.460 20 30 EGEDLO N#Cc1ccccc1OC1C[NH+](Cc2cccc(-c3cncnc3)c2)C1 ZINC001137772678 1377614612 /nfs/dbraw/zinc/61/46/12/1377614612.db2.gz JGJWPKHWCLHACB-UHFFFAOYSA-N 1 2 342.402 3.278 20 30 EGEDLO O[C@]1(CF)CC[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)C[C@@H]1F ZINC001138335458 1377704785 /nfs/dbraw/zinc/70/47/85/1377704785.db2.gz RZURMVRVWVPXCF-SFTDATJTSA-N 1 2 341.401 3.331 20 30 EGEDLO O[C@]1(CF)CC[N@@H+](Cc2ccc(C#Cc3ccccc3)cc2)C[C@@H]1F ZINC001138335458 1377704788 /nfs/dbraw/zinc/70/47/88/1377704788.db2.gz RZURMVRVWVPXCF-SFTDATJTSA-N 1 2 341.401 3.331 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cc(F)ccc1OC)CCO2 ZINC001138371951 1377711726 /nfs/dbraw/zinc/71/17/26/1377711726.db2.gz HKVYPKYPBQTZBB-FXAWDEMLSA-N 1 2 349.446 3.408 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cc(F)ccc1OC)CCO2 ZINC001138371951 1377711729 /nfs/dbraw/zinc/71/17/29/1377711729.db2.gz HKVYPKYPBQTZBB-FXAWDEMLSA-N 1 2 349.446 3.408 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(F)cnc1Cl)C2 ZINC001138892678 1377800815 /nfs/dbraw/zinc/80/08/15/1377800815.db2.gz USCOSHNWLURSCC-NVXWUHKLSA-N 1 2 340.826 3.200 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(F)cnc1Cl)C2 ZINC001138892678 1377800816 /nfs/dbraw/zinc/80/08/16/1377800816.db2.gz USCOSHNWLURSCC-NVXWUHKLSA-N 1 2 340.826 3.200 20 30 EGEDLO C=CCOc1ccccc1C[N@@H+](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC001139030720 1377820403 /nfs/dbraw/zinc/82/04/03/1377820403.db2.gz SHOVHJUVDBFZKG-UHFFFAOYSA-N 1 2 332.444 3.303 20 30 EGEDLO C=CCOc1ccccc1C[N@H+](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC001139030720 1377820404 /nfs/dbraw/zinc/82/04/04/1377820404.db2.gz SHOVHJUVDBFZKG-UHFFFAOYSA-N 1 2 332.444 3.303 20 30 EGEDLO CC[N@H+](CCC#N)Cc1ccc(F)c(I)c1 ZINC001139511727 1377895270 /nfs/dbraw/zinc/89/52/70/1377895270.db2.gz LMIYHUXTWNIIHZ-UHFFFAOYSA-N 1 2 332.160 3.166 20 30 EGEDLO CC[N@@H+](CCC#N)Cc1ccc(F)c(I)c1 ZINC001139511727 1377895271 /nfs/dbraw/zinc/89/52/71/1377895271.db2.gz LMIYHUXTWNIIHZ-UHFFFAOYSA-N 1 2 332.160 3.166 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3cc(Cl)ccn3)CC2)cc1F ZINC001139529051 1377898613 /nfs/dbraw/zinc/89/86/13/1377898613.db2.gz GWLVHNRMQCTUAX-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)CC12CC2 ZINC001139646774 1377924984 /nfs/dbraw/zinc/92/49/84/1377924984.db2.gz LMOFFUQGGVJZDI-MRXNPFEDSA-N 1 2 345.418 3.186 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CC12CC2 ZINC001139646774 1377924986 /nfs/dbraw/zinc/92/49/86/1377924986.db2.gz LMOFFUQGGVJZDI-MRXNPFEDSA-N 1 2 345.418 3.186 20 30 EGEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)OC(C)(C)C ZINC001139649998 1377926562 /nfs/dbraw/zinc/92/65/62/1377926562.db2.gz NSKLQOCJUIJUBZ-DYVFJYSZSA-N 1 2 347.434 3.432 20 30 EGEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)OC(C)(C)C ZINC001139649998 1377926563 /nfs/dbraw/zinc/92/65/63/1377926563.db2.gz NSKLQOCJUIJUBZ-DYVFJYSZSA-N 1 2 347.434 3.432 20 30 EGEDLO N#Cc1cc(F)cc(C[NH+]2CCN(c3ccc(F)c(F)c3)CC2)c1 ZINC001139873275 1377968776 /nfs/dbraw/zinc/96/87/76/1377968776.db2.gz HZJJMBZTQXGWOQ-UHFFFAOYSA-N 1 2 331.341 3.298 20 30 EGEDLO Cc1cc(F)ccc1N1CC[NH+](Cc2cc(F)cc(C#N)c2)CC1 ZINC001139878725 1377970001 /nfs/dbraw/zinc/97/00/01/1377970001.db2.gz VOEOQTZZPVRJDI-UHFFFAOYSA-N 1 2 327.378 3.467 20 30 EGEDLO COc1cc(Br)c(C[N@@H+]2CCC[C@@H](C#N)CC2)cc1O ZINC001140123009 1378012833 /nfs/dbraw/zinc/01/28/33/1378012833.db2.gz IARIUYXCLUAAFW-LLVKDONJSA-N 1 2 339.233 3.289 20 30 EGEDLO COc1cc(Br)c(C[N@H+]2CCC[C@@H](C#N)CC2)cc1O ZINC001140123009 1378012838 /nfs/dbraw/zinc/01/28/38/1378012838.db2.gz IARIUYXCLUAAFW-LLVKDONJSA-N 1 2 339.233 3.289 20 30 EGEDLO Cc1ccc2n[nH]c(C[NH+]3CCN(c4ccccc4C#N)CC3)c2c1 ZINC001140327957 1378046216 /nfs/dbraw/zinc/04/62/16/1378046216.db2.gz NJRWNQONDHPZFP-UHFFFAOYSA-N 1 2 331.423 3.065 20 30 EGEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1c(O)cccc1Cl)CC2 ZINC001140340669 1378049455 /nfs/dbraw/zinc/04/94/55/1378049455.db2.gz ZIKKTIIPWZDUCZ-UHFFFAOYSA-N 1 2 347.846 3.040 20 30 EGEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1c(O)cccc1Cl)CC2 ZINC001140340669 1378049457 /nfs/dbraw/zinc/04/94/57/1378049457.db2.gz ZIKKTIIPWZDUCZ-UHFFFAOYSA-N 1 2 347.846 3.040 20 30 EGEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1cc(Cl)ncc1F)CC2 ZINC001140606778 1378097128 /nfs/dbraw/zinc/09/71/28/1378097128.db2.gz RJZUEJNGHRKCIW-UHFFFAOYSA-N 1 2 337.826 3.017 20 30 EGEDLO N#Cc1c(F)cc(C[NH+]2CCC(NC(=O)C3CCCC3)CC2)cc1F ZINC001140753374 1378130789 /nfs/dbraw/zinc/13/07/89/1378130789.db2.gz FTPTZXVUUQYTCT-UHFFFAOYSA-N 1 2 347.409 3.107 20 30 EGEDLO COC(=O)c1ccc(C2C[NH+](Cc3cc(F)c(C#N)c(F)c3)C2)cc1 ZINC001140755781 1378130977 /nfs/dbraw/zinc/13/09/77/1378130977.db2.gz SETYMDFMDFFABR-UHFFFAOYSA-N 1 2 342.345 3.222 20 30 EGEDLO C#C[C@@H]1CCC[N@@H+](Cc2cc(I)cs2)C1 ZINC001141864960 1378387554 /nfs/dbraw/zinc/38/75/54/1378387554.db2.gz SINVSZVCGAYDTN-SNVBAGLBSA-N 1 2 331.222 3.198 20 30 EGEDLO C#C[C@@H]1CCC[N@H+](Cc2cc(I)cs2)C1 ZINC001141864960 1378387555 /nfs/dbraw/zinc/38/75/55/1378387555.db2.gz SINVSZVCGAYDTN-SNVBAGLBSA-N 1 2 331.222 3.198 20 30 EGEDLO C[N@H+](Cc1cnn(C(=O)OC(C)(C)C)c1)Cc1cccc(C#N)c1 ZINC001142805940 1378489305 /nfs/dbraw/zinc/48/93/05/1378489305.db2.gz YFYILRCZDDWVDE-UHFFFAOYSA-N 1 2 326.400 3.170 20 30 EGEDLO C[N@@H+](Cc1cnn(C(=O)OC(C)(C)C)c1)Cc1cccc(C#N)c1 ZINC001142805940 1378489306 /nfs/dbraw/zinc/48/93/06/1378489306.db2.gz YFYILRCZDDWVDE-UHFFFAOYSA-N 1 2 326.400 3.170 20 30 EGEDLO CC(=O)N1CCCC[C@]12CCC[N@H+](Cc1c(F)ccc(C#N)c1F)C2 ZINC001143170046 1378553018 /nfs/dbraw/zinc/55/30/18/1378553018.db2.gz BVCGPDCOSYPXOL-LJQANCHMSA-N 1 2 347.409 3.203 20 30 EGEDLO CC(=O)N1CCCC[C@]12CCC[N@@H+](Cc1c(F)ccc(C#N)c1F)C2 ZINC001143170046 1378553024 /nfs/dbraw/zinc/55/30/24/1378553024.db2.gz BVCGPDCOSYPXOL-LJQANCHMSA-N 1 2 347.409 3.203 20 30 EGEDLO N#Cc1ccc(F)c(CN2CC[NH+](Cc3cccc(F)c3)CC2)c1F ZINC001143170957 1378553690 /nfs/dbraw/zinc/55/36/90/1378553690.db2.gz MRTFLOXDFIEMSI-UHFFFAOYSA-N 1 2 345.368 3.293 20 30 EGEDLO Cc1cccc(N2CCC[N@H+](Cc3c(F)ccc(C#N)c3F)CC2)n1 ZINC001143174640 1378554504 /nfs/dbraw/zinc/55/45/04/1378554504.db2.gz UUNJUBRXNSGAHI-UHFFFAOYSA-N 1 2 342.393 3.252 20 30 EGEDLO Cc1cccc(N2CCC[N@@H+](Cc3c(F)ccc(C#N)c3F)CC2)n1 ZINC001143174640 1378554512 /nfs/dbraw/zinc/55/45/12/1378554512.db2.gz UUNJUBRXNSGAHI-UHFFFAOYSA-N 1 2 342.393 3.252 20 30 EGEDLO Cc1cccnc1O[C@H]1CC[N@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143179259 1378554809 /nfs/dbraw/zinc/55/48/09/1378554809.db2.gz WHYMIYRLURDPCU-AWEZNQCLSA-N 1 2 329.350 3.193 20 30 EGEDLO Cc1cccnc1O[C@H]1CC[N@@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143179259 1378554810 /nfs/dbraw/zinc/55/48/10/1378554810.db2.gz WHYMIYRLURDPCU-AWEZNQCLSA-N 1 2 329.350 3.193 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C2(c3ccccc3F)CC2)C1 ZINC001282742048 1378593213 /nfs/dbraw/zinc/59/32/13/1378593213.db2.gz SDEJJBWAEWWENR-CYBMUJFWSA-N 1 2 336.838 3.046 20 30 EGEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC001143716195 1378638576 /nfs/dbraw/zinc/63/85/76/1378638576.db2.gz GVXUPMMJKTVYHI-CQSZACIVSA-N 1 2 332.753 3.491 20 30 EGEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC001143716195 1378638581 /nfs/dbraw/zinc/63/85/81/1378638581.db2.gz GVXUPMMJKTVYHI-CQSZACIVSA-N 1 2 332.753 3.491 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1[C@H]2C[N@H+](Cc3c(Cl)cccc3C#N)C[C@H]21 ZINC001143717461 1378638614 /nfs/dbraw/zinc/63/86/14/1378638614.db2.gz FMAWFQCDRLMWAW-MIFYACCESA-N 1 2 347.846 3.167 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1[C@H]2C[N@@H+](Cc3c(Cl)cccc3C#N)C[C@H]21 ZINC001143717461 1378638619 /nfs/dbraw/zinc/63/86/19/1378638619.db2.gz FMAWFQCDRLMWAW-MIFYACCESA-N 1 2 347.846 3.167 20 30 EGEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC(N2CC(F)(F)C2)CC1 ZINC001143726532 1378639345 /nfs/dbraw/zinc/63/93/45/1378639345.db2.gz TVYLGFSCXGMBBT-UHFFFAOYSA-N 1 2 325.790 3.127 20 30 EGEDLO COc1cccc(C(=O)C2CC[NH+](Cc3cncc(C#N)c3)CC2)c1 ZINC001144074435 1378679892 /nfs/dbraw/zinc/67/98/92/1378679892.db2.gz NVEJWZJZOHLRMK-UHFFFAOYSA-N 1 2 335.407 3.057 20 30 EGEDLO C#Cc1ccc(C[N@H+]2CCc3sc(C(=O)OCC)cc3C2)cc1 ZINC001144573884 1378746881 /nfs/dbraw/zinc/74/68/81/1378746881.db2.gz RVBWZOQDYABZFQ-UHFFFAOYSA-N 1 2 325.433 3.464 20 30 EGEDLO C#Cc1ccc(C[N@@H+]2CCc3sc(C(=O)OCC)cc3C2)cc1 ZINC001144573884 1378746883 /nfs/dbraw/zinc/74/68/83/1378746883.db2.gz RVBWZOQDYABZFQ-UHFFFAOYSA-N 1 2 325.433 3.464 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C/Cl)C2 ZINC001147652478 1379055916 /nfs/dbraw/zinc/05/59/16/1379055916.db2.gz LDLUHUVWELNDDC-JYRVWZFOSA-N 1 2 331.287 3.442 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@@H+](C/C(Cl)=C/Cl)C2 ZINC001147652478 1379055918 /nfs/dbraw/zinc/05/59/18/1379055918.db2.gz LDLUHUVWELNDDC-JYRVWZFOSA-N 1 2 331.287 3.442 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C/Cl)C2 ZINC001148146764 1379124455 /nfs/dbraw/zinc/12/44/55/1379124455.db2.gz ITBPMKYNHKUZQI-GRFABLRMSA-N 1 2 331.287 3.442 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](C/C(Cl)=C/Cl)C2 ZINC001148146764 1379124457 /nfs/dbraw/zinc/12/44/57/1379124457.db2.gz ITBPMKYNHKUZQI-GRFABLRMSA-N 1 2 331.287 3.442 20 30 EGEDLO Cc1c[nH+]c2n1CCC21CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 ZINC001148615141 1379226241 /nfs/dbraw/zinc/22/62/41/1379226241.db2.gz YHNPRNYWWZTLRF-HNNXBMFYSA-N 1 2 348.450 3.396 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](CC)CC(C)C)C1 ZINC001150562935 1379569292 /nfs/dbraw/zinc/56/92/92/1379569292.db2.gz UQSSCBJBFIKFNF-HOTGVXAUSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](CC)CC(C)C)C1 ZINC001150562935 1379569296 /nfs/dbraw/zinc/56/92/96/1379569296.db2.gz UQSSCBJBFIKFNF-HOTGVXAUSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C[C@H](C)CC(C)C)C1 ZINC001150573129 1379571760 /nfs/dbraw/zinc/57/17/60/1379571760.db2.gz ZMLZPVAANHDJHU-GDBMZVCRSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C[C@H](C)CC(C)C)C1 ZINC001150573129 1379571764 /nfs/dbraw/zinc/57/17/64/1379571764.db2.gz ZMLZPVAANHDJHU-GDBMZVCRSA-N 1 2 330.900 3.018 20 30 EGEDLO C=CCC1(C(=O)NCC[NH2+][C@H](C)c2nc(C(C)C)no2)CCCCC1 ZINC001151998660 1379835193 /nfs/dbraw/zinc/83/51/93/1379835193.db2.gz YEMKPWDAARDXHB-OAHLLOKOSA-N 1 2 348.491 3.486 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccsc1C ZINC001153214286 1380037118 /nfs/dbraw/zinc/03/71/18/1380037118.db2.gz LZBWTWKLWLMHMT-LLVKDONJSA-N 1 2 345.306 3.405 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1ccsc1C ZINC001153214286 1380037121 /nfs/dbraw/zinc/03/71/21/1380037121.db2.gz LZBWTWKLWLMHMT-LLVKDONJSA-N 1 2 345.306 3.405 20 30 EGEDLO N#Cc1cc(NC(=O)c2cccc3[nH+]ccn32)ccc1N1CCCCC1 ZINC001154524626 1380297622 /nfs/dbraw/zinc/29/76/22/1380297622.db2.gz ZCWWJPLPEPQKJY-UHFFFAOYSA-N 1 2 345.406 3.449 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C2CC2)o1 ZINC001155066881 1380402438 /nfs/dbraw/zinc/40/24/38/1380402438.db2.gz PQSGXCVAIMXQDU-KUHUBIRLSA-N 1 2 333.476 3.481 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C2CC2)o1 ZINC001155066881 1380402440 /nfs/dbraw/zinc/40/24/40/1380402440.db2.gz PQSGXCVAIMXQDU-KUHUBIRLSA-N 1 2 333.476 3.481 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)C(F)F ZINC001155126024 1380413575 /nfs/dbraw/zinc/41/35/75/1380413575.db2.gz AVFKVURJTMPMNL-SNVBAGLBSA-N 1 2 341.240 3.013 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C(F)F ZINC001155126024 1380413576 /nfs/dbraw/zinc/41/35/76/1380413576.db2.gz AVFKVURJTMPMNL-SNVBAGLBSA-N 1 2 341.240 3.013 20 30 EGEDLO N#Cc1ccc2[nH]c(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)cc2c1 ZINC001156452441 1380577819 /nfs/dbraw/zinc/57/78/19/1380577819.db2.gz QCULXXNKQRAVHX-UHFFFAOYSA-N 1 2 327.347 3.478 20 30 EGEDLO CCOC(=O)c1cc2cc[nH+]c(NCCc3ccc(C#N)cc3)c2[nH]1 ZINC001156835456 1380675480 /nfs/dbraw/zinc/67/54/80/1380675480.db2.gz SSTKDAYQWGJYDI-UHFFFAOYSA-N 1 2 334.379 3.266 20 30 EGEDLO C=C[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1coc(C)n1)c1ccccc1 ZINC001157053812 1380762770 /nfs/dbraw/zinc/76/27/70/1380762770.db2.gz WWQLBFJXXHYQBA-BEFAXECRSA-N 1 2 341.455 3.279 20 30 EGEDLO C=C[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1coc(C)n1)c1ccccc1 ZINC001157053812 1380762774 /nfs/dbraw/zinc/76/27/74/1380762774.db2.gz WWQLBFJXXHYQBA-BEFAXECRSA-N 1 2 341.455 3.279 20 30 EGEDLO C[NH+](C)Cc1ccnc(NC2=C(Cl)C(=O)c3ccccc3C2=O)c1 ZINC001158187702 1381152272 /nfs/dbraw/zinc/15/22/72/1381152272.db2.gz CTUBCIJIDHLAOB-UHFFFAOYSA-N 1 2 341.798 3.085 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)CCC2(C)CC2)C[C@@H]1C ZINC001328280780 1388711112 /nfs/dbraw/zinc/71/11/12/1388711112.db2.gz VAQKQOHIGNCKHK-UONOGXRCSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)CCC2(C)CC2)C[C@@H]1C ZINC001328280780 1388711117 /nfs/dbraw/zinc/71/11/17/1388711117.db2.gz VAQKQOHIGNCKHK-UONOGXRCSA-N 1 2 343.309 3.444 20 30 EGEDLO C=CCCC(=O)NCCC1=CC[N@H+]([C@H](C)c2nc(C(C)C)no2)CC1 ZINC001159539014 1381822032 /nfs/dbraw/zinc/82/20/32/1381822032.db2.gz XFZJNWLCAMXFPE-OAHLLOKOSA-N 1 2 346.475 3.359 20 30 EGEDLO C=CCCC(=O)NCCC1=CC[N@@H+]([C@H](C)c2nc(C(C)C)no2)CC1 ZINC001159539014 1381822036 /nfs/dbraw/zinc/82/20/36/1381822036.db2.gz XFZJNWLCAMXFPE-OAHLLOKOSA-N 1 2 346.475 3.359 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@H+](Cc2ncc(C3CC3)o2)CC1 ZINC001160882874 1382223932 /nfs/dbraw/zinc/22/39/32/1382223932.db2.gz VWFOBTASVBUSGO-UHFFFAOYSA-N 1 2 343.471 3.403 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2ncc(C3CC3)o2)CC1 ZINC001160882874 1382223935 /nfs/dbraw/zinc/22/39/35/1382223935.db2.gz VWFOBTASVBUSGO-UHFFFAOYSA-N 1 2 343.471 3.403 20 30 EGEDLO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC001294049408 1382410955 /nfs/dbraw/zinc/41/09/55/1382410955.db2.gz SKTQYSBPLWXOKL-LJQANCHMSA-N 1 2 349.434 3.173 20 30 EGEDLO N#Cc1c(Cl)nccc1C(F)(F)N1CCC(n2cc[nH+]c2)CC1 ZINC001165160197 1383239263 /nfs/dbraw/zinc/23/92/63/1383239263.db2.gz RGNXXBKLXMQRSX-UHFFFAOYSA-N 1 2 337.761 3.190 20 30 EGEDLO C=CCOCc1nn(C)c2c1CN(c1cc(SCC)cc[nH+]1)CC2 ZINC001165788067 1383345129 /nfs/dbraw/zinc/34/51/29/1383345129.db2.gz UYUGDLOOKKZYCI-UHFFFAOYSA-N 1 2 344.484 3.192 20 30 EGEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(N[C@H](C)c2cnccn2)[nH+]1 ZINC001169529455 1384156815 /nfs/dbraw/zinc/15/68/15/1384156815.db2.gz KLNLATYUQIBNLR-OKLZWQAVSA-N 1 2 345.472 3.234 20 30 EGEDLO N#Cc1ccccc1OC1C[NH+]([C@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170718175 1384373099 /nfs/dbraw/zinc/37/30/99/1384373099.db2.gz YQZQSZVVOMRMRC-INIZCTEOSA-N 1 2 340.373 3.457 20 30 EGEDLO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC001171224020 1384473156 /nfs/dbraw/zinc/47/31/56/1384473156.db2.gz ORSBNLULJKTVJP-HNNXBMFYSA-N 1 2 339.464 3.009 20 30 EGEDLO C[C@@H](Cc1cccc(C#N)c1)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001171230682 1384474936 /nfs/dbraw/zinc/47/49/36/1384474936.db2.gz GBXRJEWEFMADHP-MAUKXSAKSA-N 1 2 333.426 3.295 20 30 EGEDLO N#CC1([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)CC2)CCCCC1 ZINC001171869196 1384666160 /nfs/dbraw/zinc/66/61/60/1384666160.db2.gz AGAMOPBJLLXQKI-GOSISDBHSA-N 1 2 325.456 3.497 20 30 EGEDLO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC001172311778 1384765953 /nfs/dbraw/zinc/76/59/53/1384765953.db2.gz XURCPMMEXPRHBH-RHSMWYFYSA-N 1 2 329.444 3.388 20 30 EGEDLO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC001172311778 1384765956 /nfs/dbraw/zinc/76/59/56/1384765956.db2.gz XURCPMMEXPRHBH-RHSMWYFYSA-N 1 2 329.444 3.388 20 30 EGEDLO CCCCCCC[C@@H](CCC)[N@@H+]1CCN(C(C)=O)C[C@H]1C(=O)OC ZINC001172510434 1384807496 /nfs/dbraw/zinc/80/74/96/1384807496.db2.gz BYVQBAJFVJHBIU-MSOLQXFVSA-N 1 2 340.508 3.221 20 30 EGEDLO CCCCCCC[C@@H](CCC)[N@H+]1CCN(C(C)=O)C[C@H]1C(=O)OC ZINC001172510434 1384807499 /nfs/dbraw/zinc/80/74/99/1384807499.db2.gz BYVQBAJFVJHBIU-MSOLQXFVSA-N 1 2 340.508 3.221 20 30 EGEDLO COC(=O)C1(C#N)CC[NH+]([C@H](C)Cc2c(F)cccc2Cl)CC1 ZINC001172860071 1384866760 /nfs/dbraw/zinc/86/67/60/1384866760.db2.gz DFJANKRQULNASR-GFCCVEGCSA-N 1 2 338.810 3.189 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCCCC2(F)F)C[C@H]1C#N ZINC001172976948 1384894764 /nfs/dbraw/zinc/89/47/64/1384894764.db2.gz XTONNLMBRSYFOE-IHRRRGAJSA-N 1 2 343.418 3.446 20 30 EGEDLO C[C@H]1c2cccn2CC[N@@H+]1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172989530 1384895199 /nfs/dbraw/zinc/89/51/99/1384895199.db2.gz ITERPVWMADDLFY-JYJNAYRXSA-N 1 2 344.459 3.156 20 30 EGEDLO C[C@H]1c2cccn2CC[N@H+]1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172989530 1384895204 /nfs/dbraw/zinc/89/52/04/1384895204.db2.gz ITERPVWMADDLFY-JYJNAYRXSA-N 1 2 344.459 3.156 20 30 EGEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCC(OCC=C)CC1 ZINC001173315036 1384956088 /nfs/dbraw/zinc/95/60/88/1384956088.db2.gz FVLXZQDQVDLLSE-MHJFOBGBSA-N 1 2 343.467 3.430 20 30 EGEDLO COC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CCC(CC#N)CC1 ZINC001173325034 1384958338 /nfs/dbraw/zinc/95/83/38/1384958338.db2.gz ZHYBHRMGQVRQPL-QWFMPGPPSA-N 1 2 334.847 3.486 20 30 EGEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](C)CCCCC(=O)OC ZINC001173438909 1384970536 /nfs/dbraw/zinc/97/05/36/1384970536.db2.gz CLCVAIFQQVJLQF-AEFFLSMTSA-N 1 2 347.455 3.038 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC2(C)C)C1 ZINC001317753902 1385443123 /nfs/dbraw/zinc/44/31/23/1385443123.db2.gz JZOUKSMHHXHIRD-ZIAGYGMSSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC2(C)C)C1 ZINC001317753902 1385443125 /nfs/dbraw/zinc/44/31/25/1385443125.db2.gz JZOUKSMHHXHIRD-ZIAGYGMSSA-N 1 2 343.309 3.254 20 30 EGEDLO N#CCc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)cc1 ZINC001318314404 1385650000 /nfs/dbraw/zinc/65/00/00/1385650000.db2.gz YAKFXNIPQIUCSW-IBGZPJMESA-N 1 2 334.423 3.141 20 30 EGEDLO N#CCc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)cc1 ZINC001318314404 1385650006 /nfs/dbraw/zinc/65/00/06/1385650006.db2.gz YAKFXNIPQIUCSW-IBGZPJMESA-N 1 2 334.423 3.141 20 30 EGEDLO C=CCC1(C(=O)NCCC[NH2+]Cc2noc(C3CC3)n2)CCCCC1 ZINC001176781840 1385694926 /nfs/dbraw/zinc/69/49/26/1385694926.db2.gz NFLGOBRAPDGCEI-UHFFFAOYSA-N 1 2 346.475 3.070 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@@H+](Cc3ccc(CC)cc3)[C@@H]2C1 ZINC001176955486 1385754732 /nfs/dbraw/zinc/75/47/32/1385754732.db2.gz UIAYEZHRARRUGZ-WOJBJXKFSA-N 1 2 342.483 3.017 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@H+](Cc3ccc(CC)cc3)[C@@H]2C1 ZINC001176955486 1385754736 /nfs/dbraw/zinc/75/47/36/1385754736.db2.gz UIAYEZHRARRUGZ-WOJBJXKFSA-N 1 2 342.483 3.017 20 30 EGEDLO CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)cn1 ZINC001176958139 1385755171 /nfs/dbraw/zinc/75/51/71/1385755171.db2.gz MSXFAWRVOSOZIQ-OAHLLOKOSA-N 1 2 349.438 3.133 20 30 EGEDLO N#CCc1cc(NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)ccc1F ZINC001176967714 1385756878 /nfs/dbraw/zinc/75/68/78/1385756878.db2.gz UWQJKODSLRKWBV-OAHLLOKOSA-N 1 2 338.386 3.142 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2OCC[N@H+](Cc3cccc(C)c3)[C@@H]2C1 ZINC001177025430 1385777375 /nfs/dbraw/zinc/77/73/75/1385777375.db2.gz QKLFXPSIHAFIJL-WOJBJXKFSA-N 1 2 342.483 3.153 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2OCC[N@@H+](Cc3cccc(C)c3)[C@@H]2C1 ZINC001177025430 1385777378 /nfs/dbraw/zinc/77/73/78/1385777378.db2.gz QKLFXPSIHAFIJL-WOJBJXKFSA-N 1 2 342.483 3.153 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCCCCC(C)C)C[C@@H]21 ZINC001177100636 1385811027 /nfs/dbraw/zinc/81/10/27/1385811027.db2.gz GZGZTTZUTDETJN-RBUKOAKNSA-N 1 2 336.520 3.471 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCCCC(C)C)C[C@@H]21 ZINC001177100636 1385811031 /nfs/dbraw/zinc/81/10/31/1385811031.db2.gz GZGZTTZUTDETJN-RBUKOAKNSA-N 1 2 336.520 3.471 20 30 EGEDLO N#CCCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178104661 1386129369 /nfs/dbraw/zinc/12/93/69/1386129369.db2.gz AKDFVWNECXQCEF-HNNXBMFYSA-N 1 2 342.830 3.041 20 30 EGEDLO CCCC[C@@](C)(F)C(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001320022342 1386459173 /nfs/dbraw/zinc/45/91/73/1386459173.db2.gz UUMRQLSULCPDHO-LJQANCHMSA-N 1 2 333.451 3.367 20 30 EGEDLO CCCC[C@@](C)(F)C(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC001320022342 1386459175 /nfs/dbraw/zinc/45/91/75/1386459175.db2.gz UUMRQLSULCPDHO-LJQANCHMSA-N 1 2 333.451 3.367 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)C1CC2(CCC2)C1 ZINC001320035566 1386466567 /nfs/dbraw/zinc/46/65/67/1386466567.db2.gz UHHCOWMDFBMSBZ-UHFFFAOYSA-N 1 2 343.446 3.168 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)C1CC2(CCC2)C1 ZINC001320035566 1386466568 /nfs/dbraw/zinc/46/65/68/1386466568.db2.gz UHHCOWMDFBMSBZ-UHFFFAOYSA-N 1 2 343.446 3.168 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]([NH2+]Cc2nc(C(C)(C)C)no2)[C@@H]1C ZINC001179384361 1386469317 /nfs/dbraw/zinc/46/93/17/1386469317.db2.gz KJSPZSMVONUJQO-KKUMJFAQSA-N 1 2 348.491 3.048 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc(Cl)ccc1OC ZINC001320080039 1386497406 /nfs/dbraw/zinc/49/74/06/1386497406.db2.gz FOSYLIYQRSIQOI-UHFFFAOYSA-N 1 2 331.243 3.105 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc(Cl)ccc1OC ZINC001320080039 1386497408 /nfs/dbraw/zinc/49/74/08/1386497408.db2.gz FOSYLIYQRSIQOI-UHFFFAOYSA-N 1 2 331.243 3.105 20 30 EGEDLO N#Cc1ccc(NC(=O)C23CC(C2)CC[N@@H+]3Cc2ccccc2)c(O)c1 ZINC001181488355 1387003648 /nfs/dbraw/zinc/00/36/48/1387003648.db2.gz OAMVZUPLYHLZDA-UHFFFAOYSA-N 1 2 347.418 3.257 20 30 EGEDLO N#Cc1ccc(NC(=O)C23CC(C2)CC[N@H+]3Cc2ccccc2)c(O)c1 ZINC001181488355 1387003653 /nfs/dbraw/zinc/00/36/53/1387003653.db2.gz OAMVZUPLYHLZDA-UHFFFAOYSA-N 1 2 347.418 3.257 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)CC1 ZINC001182364647 1387157176 /nfs/dbraw/zinc/15/71/76/1387157176.db2.gz KWIOVRUXPKQNNG-HUUCEWRRSA-N 1 2 338.373 3.139 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ncc(C(C)(C)C)o2)C1 ZINC001182893386 1387240764 /nfs/dbraw/zinc/24/07/64/1387240764.db2.gz HWLUFEMJLRHPKH-CQSZACIVSA-N 1 2 333.476 3.265 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)N(C)c1nnc([C@@H]2CCCC[N@@H+]2C)n1C ZINC001338580443 1389710382 /nfs/dbraw/zinc/71/03/82/1389710382.db2.gz TZPQNNSSLUFHCW-PBHICJAKSA-N 1 2 338.459 3.041 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)N(C)c1nnc([C@@H]2CCCC[N@H+]2C)n1C ZINC001338580443 1389710386 /nfs/dbraw/zinc/71/03/86/1389710386.db2.gz TZPQNNSSLUFHCW-PBHICJAKSA-N 1 2 338.459 3.041 20 30 EGEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCc2ccccc2C1 ZINC001338796126 1389767325 /nfs/dbraw/zinc/76/73/25/1389767325.db2.gz ZISZIMAPISXVMV-UHFFFAOYSA-N 1 2 337.471 3.013 20 30 EGEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)c1cccc(CC)c1 ZINC001339211223 1389944277 /nfs/dbraw/zinc/94/42/77/1389944277.db2.gz NOCVNFOCNAOZIA-UHFFFAOYSA-N 1 2 336.443 3.119 20 30 EGEDLO N#Cc1cc(Cl)nc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC001339523519 1390055369 /nfs/dbraw/zinc/05/53/69/1390055369.db2.gz VJYSCRCQDCSVAS-INIZCTEOSA-N 1 2 342.830 3.092 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cn(CC)nc2-c2ccccc2)n1 ZINC001333713665 1390380521 /nfs/dbraw/zinc/38/05/21/1390380521.db2.gz HUCPGNLBWGPXTL-UHFFFAOYSA-N 1 2 347.466 3.422 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cn(CC)nc2-c2ccccc2)n1 ZINC001333713665 1390380526 /nfs/dbraw/zinc/38/05/26/1390380526.db2.gz HUCPGNLBWGPXTL-UHFFFAOYSA-N 1 2 347.466 3.422 20 30 EGEDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Cl)c(F)c1 ZINC001341457749 1390489477 /nfs/dbraw/zinc/48/94/77/1390489477.db2.gz XXOHGKQQXFGVRH-QLJPJBMISA-N 1 2 331.778 3.228 20 30 EGEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(CC)CC(C)C ZINC001342247891 1390590901 /nfs/dbraw/zinc/59/09/01/1390590901.db2.gz OUPCKLJQFXBZTL-QGZVFWFLSA-N 1 2 349.523 3.118 20 30 EGEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(CC)CC(C)C ZINC001342247891 1390590905 /nfs/dbraw/zinc/59/09/05/1390590905.db2.gz OUPCKLJQFXBZTL-QGZVFWFLSA-N 1 2 349.523 3.118 20 30 EGEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(CC)[C@@H](C)CC ZINC001342355281 1390604532 /nfs/dbraw/zinc/60/45/32/1390604532.db2.gz ONVXJOMOGYXMTK-IRXDYDNUSA-N 1 2 349.523 3.261 20 30 EGEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(CC)[C@@H](C)CC ZINC001342355281 1390604535 /nfs/dbraw/zinc/60/45/35/1390604535.db2.gz ONVXJOMOGYXMTK-IRXDYDNUSA-N 1 2 349.523 3.261 20 30 EGEDLO N#CCC[C@H](C#N)C[NH2+]C[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC001335400525 1390679934 /nfs/dbraw/zinc/67/99/34/1390679934.db2.gz QSHRZUXZVMSRAJ-RISCZKNCSA-N 1 2 345.752 3.123 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](CC#N)C1 ZINC001343927132 1390744740 /nfs/dbraw/zinc/74/47/40/1390744740.db2.gz GRKTVUZKUSZBQY-IAGOWNOFSA-N 1 2 342.491 3.141 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](CC#N)C1 ZINC001343927132 1390744742 /nfs/dbraw/zinc/74/47/42/1390744742.db2.gz GRKTVUZKUSZBQY-IAGOWNOFSA-N 1 2 342.491 3.141 20 30 EGEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(CCC(C)C)C1CC1 ZINC001345994002 1390899265 /nfs/dbraw/zinc/89/92/65/1390899265.db2.gz KIKTZVXNBOTCQM-UHFFFAOYSA-N 1 2 342.491 3.193 20 30 EGEDLO C=C[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1ccccc1 ZINC001348855512 1391275720 /nfs/dbraw/zinc/27/57/20/1391275720.db2.gz YPSRBRLIYGTNOT-FXAWDEMLSA-N 1 2 335.451 3.257 20 30 EGEDLO CC(=O)c1ccc(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)cc1 ZINC001352924112 1391882878 /nfs/dbraw/zinc/88/28/78/1391882878.db2.gz DBDDJVZQODJZAO-UHFFFAOYSA-N 1 2 337.398 3.222 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)CCc1scnc1C ZINC001480330040 1392688701 /nfs/dbraw/zinc/68/87/01/1392688701.db2.gz GLPHHIYWPLHTGR-AWEZNQCLSA-N 1 2 341.908 3.107 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)CCc1scnc1C ZINC001480330040 1392688702 /nfs/dbraw/zinc/68/87/02/1392688702.db2.gz GLPHHIYWPLHTGR-AWEZNQCLSA-N 1 2 341.908 3.107 20 30 EGEDLO CC[C@H]1CC[C@H](C(=O)NCC[N@H+](C)Cc2cc(C#N)ccc2F)CC1 ZINC001480938457 1393033257 /nfs/dbraw/zinc/03/32/57/1393033257.db2.gz IWVPZHQTZHVDHD-JCNLHEQBSA-N 1 2 345.462 3.462 20 30 EGEDLO CC[C@H]1CC[C@H](C(=O)NCC[N@@H+](C)Cc2cc(C#N)ccc2F)CC1 ZINC001480938457 1393033262 /nfs/dbraw/zinc/03/32/62/1393033262.db2.gz IWVPZHQTZHVDHD-JCNLHEQBSA-N 1 2 345.462 3.462 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1CCc2ccc(OC)cc21)C1CC1 ZINC001481174215 1393141398 /nfs/dbraw/zinc/14/13/98/1393141398.db2.gz UNJOLVJPMDPXLX-QGZVFWFLSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1CCc2ccc(OC)cc21)C1CC1 ZINC001481174215 1393141399 /nfs/dbraw/zinc/14/13/99/1393141399.db2.gz UNJOLVJPMDPXLX-QGZVFWFLSA-N 1 2 348.874 3.058 20 30 EGEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)[C@H]1CC12CCCC2)C1CC1 ZINC001481193260 1393147057 /nfs/dbraw/zinc/14/70/57/1393147057.db2.gz ONYAPPMHACWSIT-LJQANCHMSA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@H+](CCNC(=O)[C@H]1CC12CCCC2)C1CC1 ZINC001481193260 1393147058 /nfs/dbraw/zinc/14/70/58/1393147058.db2.gz ONYAPPMHACWSIT-LJQANCHMSA-N 1 2 337.467 3.219 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](C)c2ccc(Cl)cc2)C1 ZINC001481642905 1394429410 /nfs/dbraw/zinc/42/94/10/1394429410.db2.gz QQHLCEYHDGTJAA-GFCCVEGCSA-N 1 2 327.255 3.244 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C2(c3cccnc3)CCCC2)C1 ZINC001485517520 1395994089 /nfs/dbraw/zinc/99/40/89/1395994089.db2.gz RFKIHIPKIJWWEI-HNNXBMFYSA-N 1 2 347.890 3.082 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C(C)(C)c2cccc(Cl)c2)C1 ZINC001494599264 1396483542 /nfs/dbraw/zinc/48/35/42/1396483542.db2.gz FYFDJDFKOMSBBZ-UHFFFAOYSA-N 1 2 341.282 3.418 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC001691031756 1404941012 /nfs/dbraw/zinc/94/10/12/1404941012.db2.gz RBSMRCFWTGIGEY-UHFFFAOYSA-N 1 2 336.863 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC001691031756 1404941015 /nfs/dbraw/zinc/94/10/15/1404941015.db2.gz RBSMRCFWTGIGEY-UHFFFAOYSA-N 1 2 336.863 3.161 20 30 EGEDLO CC(C)(C(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1)C1CCC1 ZINC001691219718 1405160051 /nfs/dbraw/zinc/16/00/51/1405160051.db2.gz POMLCUOINBMAAF-UHFFFAOYSA-N 1 2 339.483 3.465 20 30 EGEDLO CC(C)(C(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1)C1CCC1 ZINC001691219718 1405160055 /nfs/dbraw/zinc/16/00/55/1405160055.db2.gz POMLCUOINBMAAF-UHFFFAOYSA-N 1 2 339.483 3.465 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2ccc(Cl)[nH]2)C1 ZINC001691861328 1405580035 /nfs/dbraw/zinc/58/00/35/1405580035.db2.gz VASJBDAVJFXPMH-LBPRGKRZSA-N 1 2 330.259 3.347 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccc(Cl)[nH]2)C1 ZINC001691861328 1405580038 /nfs/dbraw/zinc/58/00/38/1405580038.db2.gz VASJBDAVJFXPMH-LBPRGKRZSA-N 1 2 330.259 3.347 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)CCC(F)(F)F)C1 ZINC001732037021 1428259346 /nfs/dbraw/zinc/25/93/46/1428259346.db2.gz YZIXVVLHPVUTJT-LBPRGKRZSA-N 1 2 326.790 3.394 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)CCC(F)(F)F)C1 ZINC001732037021 1428259348 /nfs/dbraw/zinc/25/93/48/1428259348.db2.gz YZIXVVLHPVUTJT-LBPRGKRZSA-N 1 2 326.790 3.394 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)Cc2ccc(F)cc2)C1 ZINC001732040543 1428268202 /nfs/dbraw/zinc/26/82/02/1428268202.db2.gz FMKGIAVLVRNFTO-QGZVFWFLSA-N 1 2 338.854 3.434 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)Cc2ccc(F)cc2)C1 ZINC001732040543 1428268204 /nfs/dbraw/zinc/26/82/04/1428268204.db2.gz FMKGIAVLVRNFTO-QGZVFWFLSA-N 1 2 338.854 3.434 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2ccnc(C3CC3)n2)C1 ZINC001732074776 1428325558 /nfs/dbraw/zinc/32/55/58/1428325558.db2.gz KZFLDUQYJJNTEW-HNNXBMFYSA-N 1 2 348.878 3.033 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccnc(C3CC3)n2)C1 ZINC001732074776 1428325560 /nfs/dbraw/zinc/32/55/60/1428325560.db2.gz KZFLDUQYJJNTEW-HNNXBMFYSA-N 1 2 348.878 3.033 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)CCC2CC2)CC1 ZINC001713051159 1417602631 /nfs/dbraw/zinc/60/26/31/1417602631.db2.gz CTIMSHZWWAPRRH-UHFFFAOYSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)c2ccsn2)CC1 ZINC001713857061 1418653727 /nfs/dbraw/zinc/65/37/27/1418653727.db2.gz GPUQJIYSZKVZRG-UHFFFAOYSA-N 1 2 327.881 3.212 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)CCC2CCC2)C1 ZINC001714036987 1418825730 /nfs/dbraw/zinc/82/57/30/1418825730.db2.gz MFYJHBVURMPYFE-HNNXBMFYSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)CCC2CCC2)C1 ZINC001714036987 1418825732 /nfs/dbraw/zinc/82/57/32/1418825732.db2.gz MFYJHBVURMPYFE-HNNXBMFYSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2(c3cccc(Cl)c3)CC2)C1 ZINC001714967226 1419704058 /nfs/dbraw/zinc/70/40/58/1419704058.db2.gz QOCGFZOJHXEXMQ-UHFFFAOYSA-N 1 2 339.266 3.172 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1ccc(C)c(Cl)c1 ZINC001716483451 1420701643 /nfs/dbraw/zinc/70/16/43/1420701643.db2.gz GJXDDYZLZYEKJJ-CYBMUJFWSA-N 1 2 329.271 3.380 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1ccc(C)c(Cl)c1 ZINC001716483451 1420701644 /nfs/dbraw/zinc/70/16/44/1420701644.db2.gz GJXDDYZLZYEKJJ-CYBMUJFWSA-N 1 2 329.271 3.380 20 30 EGEDLO Cc1cc(C(=O)NCC[N@@H+](C)Cc2cc(C#N)ccc2F)ccc1F ZINC001731783400 1427910294 /nfs/dbraw/zinc/91/02/94/1427910294.db2.gz DEPWJPUNXRGZPI-UHFFFAOYSA-N 1 2 343.377 3.007 20 30 EGEDLO Cc1cc(C(=O)NCC[N@H+](C)Cc2cc(C#N)ccc2F)ccc1F ZINC001731783400 1427910296 /nfs/dbraw/zinc/91/02/96/1427910296.db2.gz DEPWJPUNXRGZPI-UHFFFAOYSA-N 1 2 343.377 3.007 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccccc1-n1cccc1 ZINC001731810111 1427989586 /nfs/dbraw/zinc/98/95/86/1427989586.db2.gz RJSOWMWNXTXBEX-UHFFFAOYSA-N 1 2 331.847 3.282 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccccc1-n1cccc1 ZINC001731810111 1427989588 /nfs/dbraw/zinc/98/95/88/1427989588.db2.gz RJSOWMWNXTXBEX-UHFFFAOYSA-N 1 2 331.847 3.282 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)c1ccc(F)cc1 ZINC001731836947 1428052943 /nfs/dbraw/zinc/05/29/43/1428052943.db2.gz NUNAHAGCCSZTHU-MRXNPFEDSA-N 1 2 338.854 3.436 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)c1ccc(F)cc1 ZINC001731836947 1428052949 /nfs/dbraw/zinc/05/29/49/1428052949.db2.gz NUNAHAGCCSZTHU-MRXNPFEDSA-N 1 2 338.854 3.436 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cc2c(s1)CCCC2 ZINC001734061790 1437856029 /nfs/dbraw/zinc/85/60/29/1437856029.db2.gz BEKITTWSJVIECH-LBPRGKRZSA-N 1 2 326.893 3.430 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cc2c(s1)CCCC2 ZINC001734061790 1437856027 /nfs/dbraw/zinc/85/60/27/1437856027.db2.gz BEKITTWSJVIECH-LBPRGKRZSA-N 1 2 326.893 3.430 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)/C=C(/C)CC)CC1 ZINC001752299897 1440167630 /nfs/dbraw/zinc/16/76/30/1440167630.db2.gz OWBKLEKNWBZBFU-BENRWUELSA-N 1 2 329.282 3.174 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[C@@H]2C[N@H+](C/C(Cl)=C/Cl)CC[C@@H]21 ZINC001752705582 1440202282 /nfs/dbraw/zinc/20/22/82/1440202282.db2.gz LPIZUGRZSMYCDY-NCIRPWHGSA-N 1 2 343.298 3.278 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[C@@H]2C[N@@H+](C/C(Cl)=C/Cl)CC[C@@H]21 ZINC001752705582 1440202283 /nfs/dbraw/zinc/20/22/83/1440202283.db2.gz LPIZUGRZSMYCDY-NCIRPWHGSA-N 1 2 343.298 3.278 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccn(C2CCCC2)n1 ZINC001753109815 1440307930 /nfs/dbraw/zinc/30/79/30/1440307930.db2.gz GPQMNEHNRLXMEU-IBGZPJMESA-N 1 2 344.503 3.435 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccn(C2CCCC2)n1 ZINC001753109815 1440307931 /nfs/dbraw/zinc/30/79/31/1440307931.db2.gz GPQMNEHNRLXMEU-IBGZPJMESA-N 1 2 344.503 3.435 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1nc2c(o1)CCCC2 ZINC001753111380 1440308847 /nfs/dbraw/zinc/30/88/47/1440308847.db2.gz HRMLROJSAVOSAG-YWZLYKJASA-N 1 2 345.487 3.236 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC[N@H+]1Cc1nc2c(o1)CCCC2 ZINC001753111380 1440308848 /nfs/dbraw/zinc/30/88/48/1440308848.db2.gz HRMLROJSAVOSAG-YWZLYKJASA-N 1 2 345.487 3.236 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc(-c2ccccc2)on1)C1CC1 ZINC001753157471 1440331785 /nfs/dbraw/zinc/33/17/85/1440331785.db2.gz LCEZXSBQXLSIMG-UHFFFAOYSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc(-c2ccccc2)on1)C1CC1 ZINC001753157471 1440331786 /nfs/dbraw/zinc/33/17/86/1440331786.db2.gz LCEZXSBQXLSIMG-UHFFFAOYSA-N 1 2 345.830 3.288 20 30 EGEDLO CCC[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1F ZINC001753304548 1440355182 /nfs/dbraw/zinc/35/51/82/1440355182.db2.gz IRWHPNARJANCGO-JCGIZDLHSA-N 1 2 343.446 3.309 20 30 EGEDLO CCC[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1F ZINC001753304548 1440355183 /nfs/dbraw/zinc/35/51/83/1440355183.db2.gz IRWHPNARJANCGO-JCGIZDLHSA-N 1 2 343.446 3.309 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2c(C)[nH]nc2Cl)C1 ZINC001753317661 1440360766 /nfs/dbraw/zinc/36/07/66/1440360766.db2.gz SOIHDOFIFYWPAY-LBPRGKRZSA-N 1 2 345.274 3.051 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2c(C)[nH]nc2Cl)C1 ZINC001753317661 1440360767 /nfs/dbraw/zinc/36/07/67/1440360767.db2.gz SOIHDOFIFYWPAY-LBPRGKRZSA-N 1 2 345.274 3.051 20 30 EGEDLO C#CCCOc1ccc(C(=O)NC2C[NH+](Cc3ccccc3C)C2)cc1 ZINC001753377501 1440387370 /nfs/dbraw/zinc/38/73/70/1440387370.db2.gz BNVVWFROOYWPTI-UHFFFAOYSA-N 1 2 348.446 3.011 20 30 EGEDLO CCCC(CCC)C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001753410770 1440392979 /nfs/dbraw/zinc/39/29/79/1440392979.db2.gz PVZBVCGHLIOSFE-UHFFFAOYSA-N 1 2 345.462 3.462 20 30 EGEDLO CCC(CC)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)s1 ZINC001753425794 1440396604 /nfs/dbraw/zinc/39/66/04/1440396604.db2.gz AUVQXTKUYSNJSL-GJZGRUSLSA-N 1 2 331.485 3.231 20 30 EGEDLO CCC(CC)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)s1 ZINC001753425794 1440396605 /nfs/dbraw/zinc/39/66/05/1440396605.db2.gz AUVQXTKUYSNJSL-GJZGRUSLSA-N 1 2 331.485 3.231 20 30 EGEDLO C=CCCC(=O)N(C)[C@H]1CC[N@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC001753434310 1440399430 /nfs/dbraw/zinc/39/94/30/1440399430.db2.gz VLCMELAJAWTHNF-INIZCTEOSA-N 1 2 345.468 3.402 20 30 EGEDLO C=CCCC(=O)N(C)[C@H]1CC[N@@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC001753434310 1440399431 /nfs/dbraw/zinc/39/94/31/1440399431.db2.gz VLCMELAJAWTHNF-INIZCTEOSA-N 1 2 345.468 3.402 20 30 EGEDLO C=CC1(CC(=O)NC[C@H](CC)[NH2+][C@H](C)c2nc(C)no2)CCCCC1 ZINC001753488699 1440418736 /nfs/dbraw/zinc/41/87/36/1440418736.db2.gz RJGNQEOWKUHWKF-ZBFHGGJFSA-N 1 2 348.491 3.450 20 30 EGEDLO C=C1CCC(C(=O)N(C)CC[N@H+](C)Cc2cnc(Cl)s2)CC1 ZINC001753861987 1440512109 /nfs/dbraw/zinc/51/21/09/1440512109.db2.gz XTRFNMVOKMKAFC-UHFFFAOYSA-N 1 2 341.908 3.433 20 30 EGEDLO C=C1CCC(C(=O)N(C)CC[N@@H+](C)Cc2cnc(Cl)s2)CC1 ZINC001753861987 1440512110 /nfs/dbraw/zinc/51/21/10/1440512110.db2.gz XTRFNMVOKMKAFC-UHFFFAOYSA-N 1 2 341.908 3.433 20 30 EGEDLO CCC[C@H](CC)C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001753866588 1440514719 /nfs/dbraw/zinc/51/47/19/1440514719.db2.gz MTXUVKDDMKTOHZ-INIZCTEOSA-N 1 2 333.451 3.414 20 30 EGEDLO CCC[C@H](CC)C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001753866588 1440514720 /nfs/dbraw/zinc/51/47/20/1440514720.db2.gz MTXUVKDDMKTOHZ-INIZCTEOSA-N 1 2 333.451 3.414 20 30 EGEDLO C#CCCCC(=O)N[C@H](C)C[N@H+](C)Cc1csc(-c2ccco2)n1 ZINC001754308361 1440572186 /nfs/dbraw/zinc/57/21/86/1440572186.db2.gz RIEJFSGPJOCQRT-CQSZACIVSA-N 1 2 345.468 3.143 20 30 EGEDLO C#CCCCC(=O)N[C@H](C)C[N@@H+](C)Cc1csc(-c2ccco2)n1 ZINC001754308361 1440572187 /nfs/dbraw/zinc/57/21/87/1440572187.db2.gz RIEJFSGPJOCQRT-CQSZACIVSA-N 1 2 345.468 3.143 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)Cc1ccccc1F ZINC001754325907 1440580354 /nfs/dbraw/zinc/58/03/54/1440580354.db2.gz YYHOUDUPDIEARA-GXTWGEPZSA-N 1 2 326.843 3.193 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)Cc1ccccc1F ZINC001754325907 1440580355 /nfs/dbraw/zinc/58/03/55/1440580355.db2.gz YYHOUDUPDIEARA-GXTWGEPZSA-N 1 2 326.843 3.193 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)Cc1ccccc1F ZINC001754325909 1440580432 /nfs/dbraw/zinc/58/04/32/1440580432.db2.gz YYHOUDUPDIEARA-OCCSQVGLSA-N 1 2 326.843 3.193 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H](C)Cc1ccccc1F ZINC001754325909 1440580433 /nfs/dbraw/zinc/58/04/33/1440580433.db2.gz YYHOUDUPDIEARA-OCCSQVGLSA-N 1 2 326.843 3.193 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(OC)cc1Cl ZINC001754337985 1440587525 /nfs/dbraw/zinc/58/75/25/1440587525.db2.gz OLHTWACRPDEBIB-LLVKDONJSA-N 1 2 331.243 3.151 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(OC)cc1Cl ZINC001754337985 1440587526 /nfs/dbraw/zinc/58/75/26/1440587526.db2.gz OLHTWACRPDEBIB-LLVKDONJSA-N 1 2 331.243 3.151 20 30 EGEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1CNC(=O)CCCC(C)C ZINC001754496007 1440612175 /nfs/dbraw/zinc/61/21/75/1440612175.db2.gz RRJSPVYAFXBFPR-GOSISDBHSA-N 1 2 343.471 3.084 20 30 EGEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1CNC(=O)CCCC(C)C ZINC001754496007 1440612176 /nfs/dbraw/zinc/61/21/76/1440612176.db2.gz RRJSPVYAFXBFPR-GOSISDBHSA-N 1 2 343.471 3.084 20 30 EGEDLO CCc1ccc(C(=O)N2CCC([N@H+](CC#N)CC3CC3)CC2)cc1 ZINC001754549280 1440629365 /nfs/dbraw/zinc/62/93/65/1440629365.db2.gz YVHZJHGGXPESMW-UHFFFAOYSA-N 1 2 325.456 3.089 20 30 EGEDLO CCc1ccc(C(=O)N2CCC([N@@H+](CC#N)CC3CC3)CC2)cc1 ZINC001754549280 1440629366 /nfs/dbraw/zinc/62/93/66/1440629366.db2.gz YVHZJHGGXPESMW-UHFFFAOYSA-N 1 2 325.456 3.089 20 30 EGEDLO C#CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(F)cc1 ZINC001754551951 1440630178 /nfs/dbraw/zinc/63/01/78/1440630178.db2.gz WFRZMBARMIINAH-KDURUIRLSA-N 1 2 328.431 3.195 20 30 EGEDLO C#CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1 ZINC001754551951 1440630179 /nfs/dbraw/zinc/63/01/79/1440630179.db2.gz WFRZMBARMIINAH-KDURUIRLSA-N 1 2 328.431 3.195 20 30 EGEDLO C#CCN(C(=O)C[C@@H](C)CC)C1CC[NH+](Cc2cscn2)CC1 ZINC001754635264 1440648557 /nfs/dbraw/zinc/64/85/57/1440648557.db2.gz DJSARZDBGVMTQR-HNNXBMFYSA-N 1 2 333.501 3.006 20 30 EGEDLO C=CCCCC(=O)NCC1(C)CC[NH+]([C@H](C)c2noc(C)n2)CC1 ZINC001754719188 1440672616 /nfs/dbraw/zinc/67/26/16/1440672616.db2.gz YCJXLNXCOMZKSU-CQSZACIVSA-N 1 2 334.464 3.014 20 30 EGEDLO C=CCCC(=O)N1CCOC2(C[NH+](Cc3ccccc3C(C)C)C2)C1 ZINC001755049063 1440742704 /nfs/dbraw/zinc/74/27/04/1440742704.db2.gz OQJQBPXGKWRCFX-UHFFFAOYSA-N 1 2 342.483 3.189 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2nc(C(C)C)no2)CC1(C)C ZINC001755143358 1440762063 /nfs/dbraw/zinc/76/20/63/1440762063.db2.gz XSQIVJUGQHJZCE-OAHLLOKOSA-N 1 2 348.491 3.266 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CC[N@H+](Cc2nc(C(C)C)no2)CC1(C)C ZINC001755143358 1440762064 /nfs/dbraw/zinc/76/20/64/1440762064.db2.gz XSQIVJUGQHJZCE-OAHLLOKOSA-N 1 2 348.491 3.266 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H](C)[N@H+](C)Cc1ccn(C2CCCC2)n1 ZINC001755303921 1440810000 /nfs/dbraw/zinc/81/00/00/1440810000.db2.gz SZTGCKGLCKDPOZ-INIZCTEOSA-N 1 2 332.492 3.291 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H](C)[N@@H+](C)Cc1ccn(C2CCCC2)n1 ZINC001755303921 1440810001 /nfs/dbraw/zinc/81/00/01/1440810001.db2.gz SZTGCKGLCKDPOZ-INIZCTEOSA-N 1 2 332.492 3.291 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001755381654 1440839533 /nfs/dbraw/zinc/83/95/33/1440839533.db2.gz KCWDGQOYKNLLBM-VLIAUNLRSA-N 1 2 343.446 3.236 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[N@H+](Cc2nc(C)oc2C)CC1(C)C ZINC001755410194 1440845941 /nfs/dbraw/zinc/84/59/41/1440845941.db2.gz MRCYTLIIGVUTLI-INIZCTEOSA-N 1 2 333.476 3.220 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[N@@H+](Cc2nc(C)oc2C)CC1(C)C ZINC001755410194 1440845942 /nfs/dbraw/zinc/84/59/42/1440845942.db2.gz MRCYTLIIGVUTLI-INIZCTEOSA-N 1 2 333.476 3.220 20 30 EGEDLO C=CCCCC(=O)N1C[C@H]([NH2+]Cc2nc(C3CCCC3)no2)C[C@@H]1C ZINC001755681388 1440895205 /nfs/dbraw/zinc/89/52/05/1440895205.db2.gz LOXOPMMWYAZFSY-GOEBONIOSA-N 1 2 346.475 3.163 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C[NH2+][C@H](C)c1noc(C)n1)C(C)(C)C ZINC001755830113 1440928429 /nfs/dbraw/zinc/92/84/29/1440928429.db2.gz KCTYMZJEGGVUFK-OCCSQVGLSA-N 1 2 336.480 3.162 20 30 EGEDLO C=C(C)CCC(=O)NC1(C2CC[NH+](Cc3nnc(C)s3)CC2)CC1 ZINC001755868815 1440938516 /nfs/dbraw/zinc/93/85/16/1440938516.db2.gz IFIKAFTWLINWMY-UHFFFAOYSA-N 1 2 348.516 3.064 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H](C)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001756482262 1441022780 /nfs/dbraw/zinc/02/27/80/1441022780.db2.gz PLIVVTPMRUMVFF-GDBMZVCRSA-N 1 2 345.487 3.186 20 30 EGEDLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cs1 ZINC000184698857 529745227 /nfs/dbraw/zinc/74/52/27/529745227.db2.gz SPMBUEVSJNMMRZ-MNOVXSKESA-N 1 2 346.456 3.465 20 30 EGEDLO COC[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)c1ccco1 ZINC000191824603 239320976 /nfs/dbraw/zinc/32/09/76/239320976.db2.gz QZOQPZIBCVBUDG-CQSZACIVSA-N 1 2 335.201 3.391 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000376322540 242065682 /nfs/dbraw/zinc/06/56/82/242065682.db2.gz DUVGOHNYDUYJCC-UHFFFAOYSA-N 1 2 347.846 3.043 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCOCC2(CCCC2)C1 ZINC000376322540 242065685 /nfs/dbraw/zinc/06/56/85/242065685.db2.gz DUVGOHNYDUYJCC-UHFFFAOYSA-N 1 2 347.846 3.043 20 30 EGEDLO N#Cc1cc(F)ccc1NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000110100438 220015995 /nfs/dbraw/zinc/01/59/95/220015995.db2.gz CBIUACNAWNFNIY-MRXNPFEDSA-N 1 2 331.416 3.244 20 30 EGEDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000265162109 247260809 /nfs/dbraw/zinc/26/08/09/247260809.db2.gz WFWDUZGXLKJURU-ZDUSSCGKSA-N 1 2 328.366 3.115 20 30 EGEDLO COCCC1(C[NH2+][C@H](C(=O)OC)c2cccc(C#N)c2)CCCCC1 ZINC000184723264 533211413 /nfs/dbraw/zinc/21/14/13/533211413.db2.gz ORDRHBGNJFHDBS-SFHVURJKSA-N 1 2 344.455 3.349 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(C#N)cc1)c1ccccc1F ZINC000012535575 258054612 /nfs/dbraw/zinc/05/46/12/258054612.db2.gz XNDQQFDCUKVHIO-KRWDZBQOSA-N 1 2 349.369 3.342 20 30 EGEDLO COc1ccc(C(=O)C2CC[NH+](C[C@H](C#N)CCC#N)CC2)cc1 ZINC000032900884 258059044 /nfs/dbraw/zinc/05/90/44/258059044.db2.gz MEXYSWUQGYOWHN-HNNXBMFYSA-N 1 2 325.412 3.033 20 30 EGEDLO C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(C#N)cc1 ZINC000338363161 141108435 /nfs/dbraw/zinc/10/84/35/141108435.db2.gz PSYQVZHCDRWSPI-GFCCVEGCSA-N 1 2 349.350 3.367 20 30 EGEDLO C[C@@H]1CC[C@H](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000345512801 144247316 /nfs/dbraw/zinc/24/73/16/144247316.db2.gz VGZAZXQJLBRRNI-APWZRJJASA-N 1 2 325.456 3.029 20 30 EGEDLO COC(=O)C[C@@](C)([NH2+]Cc1ccc(Cl)cc1C#N)c1ccccn1 ZINC000351824447 144311916 /nfs/dbraw/zinc/31/19/16/144311916.db2.gz RAQZSXRQKFSWSF-GOSISDBHSA-N 1 2 343.814 3.175 20 30 EGEDLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000364104167 144392544 /nfs/dbraw/zinc/39/25/44/144392544.db2.gz SSMJWQYGLJFVHS-WFASDCNBSA-N 1 2 326.425 3.036 20 30 EGEDLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000364104167 144392546 /nfs/dbraw/zinc/39/25/46/144392546.db2.gz SSMJWQYGLJFVHS-WFASDCNBSA-N 1 2 326.425 3.036 20 30 EGEDLO C[C@H](c1ccc(C#N)cc1)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188285897 153009291 /nfs/dbraw/zinc/00/92/91/153009291.db2.gz NCPLPYQCWYMRJH-XMSQKQJNSA-N 1 2 349.478 3.188 20 30 EGEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188285897 153009293 /nfs/dbraw/zinc/00/92/93/153009293.db2.gz NCPLPYQCWYMRJH-XMSQKQJNSA-N 1 2 349.478 3.188 20 30 EGEDLO C[C@H](c1ccc(C#N)cc1)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188285897 153009296 /nfs/dbraw/zinc/00/92/96/153009296.db2.gz NCPLPYQCWYMRJH-XMSQKQJNSA-N 1 2 349.478 3.188 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)cc1F ZINC000191965499 153235759 /nfs/dbraw/zinc/23/57/59/153235759.db2.gz LBXCRFGGZCUKFT-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO Cc1nc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c(C)s1 ZINC000336869933 154222096 /nfs/dbraw/zinc/22/20/96/154222096.db2.gz GEOXMBIQOIIOGU-UHFFFAOYSA-N 1 2 330.432 3.093 20 30 EGEDLO C[C@H](c1nc(C2CC2)no1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344106622 164104075 /nfs/dbraw/zinc/10/40/75/164104075.db2.gz HHXNANFVGFQJFQ-CYBMUJFWSA-N 1 2 326.400 3.028 20 30 EGEDLO C[C@H](c1nc(C2CC2)no1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344106622 164104077 /nfs/dbraw/zinc/10/40/77/164104077.db2.gz HHXNANFVGFQJFQ-CYBMUJFWSA-N 1 2 326.400 3.028 20 30 EGEDLO CC1(C)C[N@H+](CC(=O)Nc2cccc(C#N)c2)Cc2ccccc2O1 ZINC000344125763 164109484 /nfs/dbraw/zinc/10/94/84/164109484.db2.gz WZYOJUFPDCEDSJ-UHFFFAOYSA-N 1 2 335.407 3.170 20 30 EGEDLO CC1(C)C[N@@H+](CC(=O)Nc2cccc(C#N)c2)Cc2ccccc2O1 ZINC000344125763 164109486 /nfs/dbraw/zinc/10/94/86/164109486.db2.gz WZYOJUFPDCEDSJ-UHFFFAOYSA-N 1 2 335.407 3.170 20 30 EGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000351972247 165173034 /nfs/dbraw/zinc/17/30/34/165173034.db2.gz KXUKWEVUMCDORB-UHFFFAOYSA-N 1 2 331.341 3.298 20 30 EGEDLO CNc1ccc(C#N)cc1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000355648803 166272060 /nfs/dbraw/zinc/27/20/60/166272060.db2.gz FJNDMQVSZMJSJU-UHFFFAOYSA-N 1 2 345.406 3.026 20 30 EGEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000160307135 225385229 /nfs/dbraw/zinc/38/52/29/225385229.db2.gz HDKJDPBBNCGIFK-UHFFFAOYSA-N 1 2 343.446 3.358 20 30 EGEDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000175046062 265087785 /nfs/dbraw/zinc/08/77/85/265087785.db2.gz FLCQUUMIXYBMOQ-UHFFFAOYSA-N 1 2 325.368 3.497 20 30 EGEDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000175046062 265087786 /nfs/dbraw/zinc/08/77/86/265087786.db2.gz FLCQUUMIXYBMOQ-UHFFFAOYSA-N 1 2 325.368 3.497 20 30 EGEDLO Cc1cccc([C@@H](CNc2c(C#N)cccc2C#N)[NH+]2CCOCC2)c1 ZINC000302401765 270044828 /nfs/dbraw/zinc/04/48/28/270044828.db2.gz DZRKBZUFSHUAKG-HXUWFJFHSA-N 1 2 346.434 3.224 20 30 EGEDLO CCC[C@@H]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000448578039 270052704 /nfs/dbraw/zinc/05/27/04/270052704.db2.gz MLYGYLYNRZAAEW-UXHICEINSA-N 1 2 339.483 3.419 20 30 EGEDLO N#Cc1ccc(/C=C/C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000490920205 270057262 /nfs/dbraw/zinc/05/72/62/270057262.db2.gz WDFMMAUXHJFFQM-JXMROGBWSA-N 1 2 347.418 3.042 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+]2CCOC3(C2)CCCCCC3)c1C#N ZINC000534471605 270061318 /nfs/dbraw/zinc/06/13/18/270061318.db2.gz ULWYVAYQLUQCBJ-UHFFFAOYSA-N 1 2 342.439 3.270 20 30 EGEDLO COC(=O)c1cccc(C[N@H+]2CCOC3(C2)CCCCCC3)c1C#N ZINC000534471605 270061320 /nfs/dbraw/zinc/06/13/20/270061320.db2.gz ULWYVAYQLUQCBJ-UHFFFAOYSA-N 1 2 342.439 3.270 20 30 EGEDLO CCOC(=O)Nc1ccc(NCc2cccc3[nH+]ccn32)cc1C#N ZINC000181512288 266268887 /nfs/dbraw/zinc/26/88/87/266268887.db2.gz BHEFOYWJVWIFJG-UHFFFAOYSA-N 1 2 335.367 3.386 20 30 EGEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000418947947 266852637 /nfs/dbraw/zinc/85/26/37/266852637.db2.gz ODYVFSDNNIPIOI-GOSISDBHSA-N 1 2 349.862 3.112 20 30 EGEDLO C[C@@H]1CCN(c2nc3cc(Cl)ccn3c2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000287844604 267024131 /nfs/dbraw/zinc/02/41/31/267024131.db2.gz MAJZQZISKZOVCR-DOMZBBRYSA-N 1 2 340.818 3.143 20 30 EGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000488447892 267132776 /nfs/dbraw/zinc/13/27/76/267132776.db2.gz KYPZYPCEMPBPJQ-HXUWFJFHSA-N 1 2 336.435 3.473 20 30 EGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000488447892 267132779 /nfs/dbraw/zinc/13/27/79/267132779.db2.gz KYPZYPCEMPBPJQ-HXUWFJFHSA-N 1 2 336.435 3.473 20 30 EGEDLO C[C@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1cccc(C#N)c1 ZINC000186436769 267186065 /nfs/dbraw/zinc/18/60/65/267186065.db2.gz LIAQERQWYPDLTB-AWEZNQCLSA-N 1 2 333.395 3.106 20 30 EGEDLO CC[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000517958570 267217745 /nfs/dbraw/zinc/21/77/45/267217745.db2.gz OSAAORNEXPBREL-SFHVURJKSA-N 1 2 342.487 3.210 20 30 EGEDLO Cc1c(C#N)cccc1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000178555252 267287005 /nfs/dbraw/zinc/28/70/05/267287005.db2.gz XLIAHXBGVUPXGD-UHFFFAOYSA-N 1 2 345.406 3.433 20 30 EGEDLO N#Cc1cc(NC(=O)NCCn2cc[nH+]c2)ccc1Oc1ccccc1 ZINC000189472811 268009107 /nfs/dbraw/zinc/00/91/07/268009107.db2.gz NYGNBFJOGPDLEV-UHFFFAOYSA-N 1 2 347.378 3.369 20 30 EGEDLO N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000347991651 268092058 /nfs/dbraw/zinc/09/20/58/268092058.db2.gz NRUXJIMSMUYIJT-QGZVFWFLSA-N 1 2 341.374 3.065 20 30 EGEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nc(Cl)ccc3Cl)C2)nc1 ZINC000292057293 268185569 /nfs/dbraw/zinc/18/55/69/268185569.db2.gz BTTWNRNWDIGWPA-LBPRGKRZSA-N 1 2 349.221 3.308 20 30 EGEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nc(Cl)ccc3Cl)C2)nc1 ZINC000292057293 268185571 /nfs/dbraw/zinc/18/55/71/268185571.db2.gz BTTWNRNWDIGWPA-LBPRGKRZSA-N 1 2 349.221 3.308 20 30 EGEDLO N#Cc1ccnc(NCc2ccc(N3CCCCCC3)[nH+]c2)c1Cl ZINC000439094250 268195079 /nfs/dbraw/zinc/19/50/79/268195079.db2.gz BUKLKUNZUUFHPU-UHFFFAOYSA-N 1 2 341.846 3.416 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)c2ccccc2Br)C1=O ZINC000337128286 456328851 /nfs/dbraw/zinc/32/88/51/456328851.db2.gz HOFSTIRIYINFIO-WFASDCNBSA-N 1 2 337.261 3.229 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)c2ccccc2Br)C1=O ZINC000337128286 456328857 /nfs/dbraw/zinc/32/88/57/456328857.db2.gz HOFSTIRIYINFIO-WFASDCNBSA-N 1 2 337.261 3.229 20 30 EGEDLO CCN(C(=O)C[N@@H+]1CCC[C@@](C)(C#N)C1)[C@@H](C)c1ccc(F)cc1 ZINC000612162135 460555585 /nfs/dbraw/zinc/55/55/85/460555585.db2.gz KXTSYYUHMOFSGO-KXBFYZLASA-N 1 2 331.435 3.361 20 30 EGEDLO CCN(C(=O)C[N@H+]1CCC[C@@](C)(C#N)C1)[C@@H](C)c1ccc(F)cc1 ZINC000612162135 460555590 /nfs/dbraw/zinc/55/55/90/460555590.db2.gz KXTSYYUHMOFSGO-KXBFYZLASA-N 1 2 331.435 3.361 20 30 EGEDLO CN(C(=O)C[N@@H+]1CCC[C@@](C)(C#N)C1)[C@H]1CCCc2ccccc21 ZINC000612166007 460557315 /nfs/dbraw/zinc/55/73/15/460557315.db2.gz SJVPQUXQQLYKKP-ICSRJNTNSA-N 1 2 325.456 3.148 20 30 EGEDLO CN(C(=O)C[N@H+]1CCC[C@@](C)(C#N)C1)[C@H]1CCCc2ccccc21 ZINC000612166007 460557325 /nfs/dbraw/zinc/55/73/25/460557325.db2.gz SJVPQUXQQLYKKP-ICSRJNTNSA-N 1 2 325.456 3.148 20 30 EGEDLO CCc1ncc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)s1 ZINC000264855180 455293335 /nfs/dbraw/zinc/29/33/35/455293335.db2.gz KLCNVBSUSCHPPA-UHFFFAOYSA-N 1 2 330.432 3.038 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000015742229 453584161 /nfs/dbraw/zinc/58/41/61/453584161.db2.gz SOYBSOOWPPUIGZ-UHFFFAOYSA-N 1 2 339.826 3.170 20 30 EGEDLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000023666612 453715097 /nfs/dbraw/zinc/71/50/97/453715097.db2.gz UMOBHYIRYKBLOO-GFCCVEGCSA-N 1 2 329.350 3.468 20 30 EGEDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000023666612 453715099 /nfs/dbraw/zinc/71/50/99/453715099.db2.gz UMOBHYIRYKBLOO-GFCCVEGCSA-N 1 2 329.350 3.468 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+](Cc2cccs2)C2CC2)c(C#N)c1C ZINC000027109179 453811032 /nfs/dbraw/zinc/81/10/32/453811032.db2.gz YATHMBOKVURFTI-UHFFFAOYSA-N 1 2 329.425 3.433 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+](Cc2cccs2)C2CC2)c(C#N)c1C ZINC000027109179 453811036 /nfs/dbraw/zinc/81/10/36/453811036.db2.gz YATHMBOKVURFTI-UHFFFAOYSA-N 1 2 329.425 3.433 20 30 EGEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCc2sccc2C1 ZINC000028176150 453822407 /nfs/dbraw/zinc/82/24/07/453822407.db2.gz LJNGAYFOQOYJKK-HVEKOLDVSA-N 1 2 345.512 3.426 20 30 EGEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCc2sccc2C1 ZINC000028176150 453822408 /nfs/dbraw/zinc/82/24/08/453822408.db2.gz LJNGAYFOQOYJKK-HVEKOLDVSA-N 1 2 345.512 3.426 20 30 EGEDLO CC(C)(C(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000029693873 453830771 /nfs/dbraw/zinc/83/07/71/453830771.db2.gz UJMKSCPPFQGLMB-UHFFFAOYSA-N 1 2 347.462 3.180 20 30 EGEDLO CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+](CC)C[C@H](C)C#N)cc1 ZINC000066424935 453843962 /nfs/dbraw/zinc/84/39/62/453843962.db2.gz ACLIGFLHKLGVTO-VQIMIIECSA-N 1 2 343.471 3.230 20 30 EGEDLO CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+](CC)C[C@H](C)C#N)cc1 ZINC000066424935 453843964 /nfs/dbraw/zinc/84/39/64/453843964.db2.gz ACLIGFLHKLGVTO-VQIMIIECSA-N 1 2 343.471 3.230 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000181738391 455377339 /nfs/dbraw/zinc/37/73/39/455377339.db2.gz UKNNMQRRPHAVJC-ZBEGNZNMSA-N 1 2 325.815 3.184 20 30 EGEDLO N#Cc1ccc(OCC[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000066850791 453880549 /nfs/dbraw/zinc/88/05/49/453880549.db2.gz RUFAFVYGMPOLDP-LJQANCHMSA-N 1 2 344.361 3.289 20 30 EGEDLO N#Cc1ccc(OCC[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000066850791 453880551 /nfs/dbraw/zinc/88/05/51/453880551.db2.gz RUFAFVYGMPOLDP-LJQANCHMSA-N 1 2 344.361 3.289 20 30 EGEDLO C[N@H+](Cc1ccc(F)cc1F)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000083138882 453939991 /nfs/dbraw/zinc/93/99/91/453939991.db2.gz GZJGDAPIBHLNDC-OAHLLOKOSA-N 1 2 347.390 3.135 20 30 EGEDLO C[N@@H+](Cc1ccc(F)cc1F)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000083138882 453939992 /nfs/dbraw/zinc/93/99/92/453939992.db2.gz GZJGDAPIBHLNDC-OAHLLOKOSA-N 1 2 347.390 3.135 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184506815 455392331 /nfs/dbraw/zinc/39/23/31/455392331.db2.gz KZRLRWZJWUXTRF-STQMWFEESA-N 1 2 336.505 3.099 20 30 EGEDLO N#Cc1cc(Cl)ccc1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000068428647 454026527 /nfs/dbraw/zinc/02/65/27/454026527.db2.gz YEHBVFCBYKRCGL-UHFFFAOYSA-N 1 2 328.803 3.055 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068475613 454029289 /nfs/dbraw/zinc/02/92/89/454029289.db2.gz YMNMNGROGJNXNB-GJZGRUSLSA-N 1 2 336.501 3.151 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068475613 454029293 /nfs/dbraw/zinc/02/92/93/454029293.db2.gz YMNMNGROGJNXNB-GJZGRUSLSA-N 1 2 336.501 3.151 20 30 EGEDLO COCC[N@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccc(C#N)cc1 ZINC000069072249 454076955 /nfs/dbraw/zinc/07/69/55/454076955.db2.gz PYFJIQZDQTZVCT-UHFFFAOYSA-N 1 2 348.406 3.257 20 30 EGEDLO COCC[N@@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccc(C#N)cc1 ZINC000069072249 454076957 /nfs/dbraw/zinc/07/69/57/454076957.db2.gz PYFJIQZDQTZVCT-UHFFFAOYSA-N 1 2 348.406 3.257 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438158 454100548 /nfs/dbraw/zinc/10/05/48/454100548.db2.gz CFANVKZZTVXFBH-LBPRGKRZSA-N 1 2 329.350 3.295 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438158 454100552 /nfs/dbraw/zinc/10/05/52/454100552.db2.gz CFANVKZZTVXFBH-LBPRGKRZSA-N 1 2 329.350 3.295 20 30 EGEDLO CCOc1ccc(N(CCC#N)C(=O)Cc2cn3ccccc3[nH+]2)cc1 ZINC000069771478 454141688 /nfs/dbraw/zinc/14/16/88/454141688.db2.gz WRRSOVZJWKCRNU-UHFFFAOYSA-N 1 2 348.406 3.222 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000070695869 454171743 /nfs/dbraw/zinc/17/17/43/454171743.db2.gz VGNUIUBMGLCLLZ-JENIJYKNSA-N 1 2 328.456 3.038 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000070695869 454171745 /nfs/dbraw/zinc/17/17/45/454171745.db2.gz VGNUIUBMGLCLLZ-JENIJYKNSA-N 1 2 328.456 3.038 20 30 EGEDLO C=CCc1ccc(OCC(=O)Nc2ccc(C)[nH+]c2C)c(OC)c1 ZINC000119390390 454191441 /nfs/dbraw/zinc/19/14/41/454191441.db2.gz VVAWVLHNLLUMSZ-UHFFFAOYSA-N 1 2 326.396 3.453 20 30 EGEDLO Cc1nc(C(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)ccc1C#N ZINC000089869202 454221429 /nfs/dbraw/zinc/22/14/29/454221429.db2.gz QSXQVCGVVHXXIO-UHFFFAOYSA-N 1 2 331.379 3.278 20 30 EGEDLO C[N@H+](CCOCC1CC1)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000130959898 454227865 /nfs/dbraw/zinc/22/78/65/454227865.db2.gz GRAZNCQOLOWSAA-UHFFFAOYSA-N 1 2 339.439 3.096 20 30 EGEDLO C[N@@H+](CCOCC1CC1)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000130959898 454227871 /nfs/dbraw/zinc/22/78/71/454227871.db2.gz GRAZNCQOLOWSAA-UHFFFAOYSA-N 1 2 339.439 3.096 20 30 EGEDLO C=CC[N@H+](CC(=O)N[C@H]1CCCC[C@@H]1C)Cc1ccc(OC)cc1 ZINC000059423192 454260708 /nfs/dbraw/zinc/26/07/08/454260708.db2.gz QPNNGAATTPAZEW-LPHOPBHVSA-N 1 2 330.472 3.378 20 30 EGEDLO C=CC[N@@H+](CC(=O)N[C@H]1CCCC[C@@H]1C)Cc1ccc(OC)cc1 ZINC000059423192 454260713 /nfs/dbraw/zinc/26/07/13/454260713.db2.gz QPNNGAATTPAZEW-LPHOPBHVSA-N 1 2 330.472 3.378 20 30 EGEDLO CC[C@H]1C[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)CCS1 ZINC000091071236 454376227 /nfs/dbraw/zinc/37/62/27/454376227.db2.gz XANCRJLTAWABAP-INIZCTEOSA-N 1 2 326.469 3.380 20 30 EGEDLO CC[C@H]1C[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)CCS1 ZINC000091071236 454376231 /nfs/dbraw/zinc/37/62/31/454376231.db2.gz XANCRJLTAWABAP-INIZCTEOSA-N 1 2 326.469 3.380 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(OC)cc1)Cc1cccc(C#N)c1 ZINC000063300798 454403825 /nfs/dbraw/zinc/40/38/25/454403825.db2.gz JCJASGHJQOPFEG-UHFFFAOYSA-N 1 2 335.407 3.194 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccc(OC)cc1)Cc1cccc(C#N)c1 ZINC000063300798 454403827 /nfs/dbraw/zinc/40/38/27/454403827.db2.gz JCJASGHJQOPFEG-UHFFFAOYSA-N 1 2 335.407 3.194 20 30 EGEDLO Cc1[nH+]ccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)c1Cl ZINC000097144368 454416429 /nfs/dbraw/zinc/41/64/29/454416429.db2.gz NRHCSVMZCWNQSY-UHFFFAOYSA-N 1 2 342.207 3.369 20 30 EGEDLO Cc1ccc(S(=O)(=O)CCC[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000091517272 454442970 /nfs/dbraw/zinc/44/29/70/454442970.db2.gz IOKQVPRONAJUOM-UHFFFAOYSA-N 1 2 342.464 3.163 20 30 EGEDLO Cc1ccc(S(=O)(=O)CCC[N@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000091517272 454442973 /nfs/dbraw/zinc/44/29/73/454442973.db2.gz IOKQVPRONAJUOM-UHFFFAOYSA-N 1 2 342.464 3.163 20 30 EGEDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000121604012 454456173 /nfs/dbraw/zinc/45/61/73/454456173.db2.gz HSCWYUPJCOXPPQ-UHFFFAOYSA-N 1 2 325.416 3.238 20 30 EGEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000101919737 454487081 /nfs/dbraw/zinc/48/70/81/454487081.db2.gz TUPJMRCWJLDKCL-INIZCTEOSA-N 1 2 333.435 3.430 20 30 EGEDLO CCc1ncc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)s1 ZINC000092596711 454592783 /nfs/dbraw/zinc/59/27/83/454592783.db2.gz LQAYGHJPIZCKJC-UHFFFAOYSA-N 1 2 330.432 3.038 20 30 EGEDLO CC(C)Cc1noc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000104713526 454598388 /nfs/dbraw/zinc/59/83/88/454598388.db2.gz PIABNSHYJNIOKJ-UHFFFAOYSA-N 1 2 340.427 3.183 20 30 EGEDLO C[C@@H](/N=C/c1cc(Cl)cc(Cl)c1O)[C@@H](C)[NH+]1CCOCC1 ZINC000105356560 454636475 /nfs/dbraw/zinc/63/64/75/454636475.db2.gz VKPFJJLFWBQVJX-LPHLQJALSA-N 1 2 331.243 3.227 20 30 EGEDLO N#Cc1ccc(NCc2ccc(N3CCCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000052314735 454666907 /nfs/dbraw/zinc/66/69/07/454666907.db2.gz HJGCTWIRHWBGJN-UHFFFAOYSA-N 1 2 337.383 3.464 20 30 EGEDLO C=CCN(C)C(=O)c1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000161674042 454713073 /nfs/dbraw/zinc/71/30/73/454713073.db2.gz YGEUUYASLLHRLS-UHFFFAOYSA-N 1 2 335.407 3.480 20 30 EGEDLO Cc1cc(CNc2[nH+]cccc2OCCCC#N)ccc1-n1cncn1 ZINC000162250113 454762383 /nfs/dbraw/zinc/76/23/83/454762383.db2.gz GNDHXQSYMYRXKP-UHFFFAOYSA-N 1 2 348.410 3.265 20 30 EGEDLO N#CC1(NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CCSCC1 ZINC000162517751 454780519 /nfs/dbraw/zinc/78/05/19/454780519.db2.gz YBWJALFHKOHPCN-UHFFFAOYSA-N 1 2 339.420 3.393 20 30 EGEDLO CCN(CC)C(=O)[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccccc1 ZINC000139027898 454801467 /nfs/dbraw/zinc/80/14/67/454801467.db2.gz OWCFKEUOQDVQRU-IBGZPJMESA-N 1 2 339.414 3.397 20 30 EGEDLO Cn1ccnc1[C@H]([NH2+]Cc1ccc(C#N)s1)c1cccc(F)c1 ZINC000176945527 454802063 /nfs/dbraw/zinc/80/20/63/454802063.db2.gz FLYWSAAADBAKJT-MRXNPFEDSA-N 1 2 326.400 3.372 20 30 EGEDLO CC[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccccn1 ZINC000125372556 454817762 /nfs/dbraw/zinc/81/77/62/454817762.db2.gz WBEPTFLZLLXHAB-UHFFFAOYSA-N 1 2 340.452 3.158 20 30 EGEDLO CC[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccccn1 ZINC000125372556 454817767 /nfs/dbraw/zinc/81/77/67/454817767.db2.gz WBEPTFLZLLXHAB-UHFFFAOYSA-N 1 2 340.452 3.158 20 30 EGEDLO CCN(Cc1cccc(F)c1)C(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000109813318 454838009 /nfs/dbraw/zinc/83/80/09/454838009.db2.gz MDNUMSNOZYDEOM-UHFFFAOYSA-N 1 2 333.451 3.436 20 30 EGEDLO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000109813318 454838011 /nfs/dbraw/zinc/83/80/11/454838011.db2.gz MDNUMSNOZYDEOM-UHFFFAOYSA-N 1 2 333.451 3.436 20 30 EGEDLO Cc1cc(C)c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000600945800 460655866 /nfs/dbraw/zinc/65/58/66/460655866.db2.gz MOFAMSDEOJVVLP-UHFFFAOYSA-N 1 2 339.464 3.195 20 30 EGEDLO CC1CCN(c2ccc(CNC(=O)c3cc(C#N)cs3)c[nH+]2)CC1 ZINC000177425637 454862476 /nfs/dbraw/zinc/86/24/76/454862476.db2.gz SIECUEYRAQIYIP-UHFFFAOYSA-N 1 2 340.452 3.181 20 30 EGEDLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)cs1 ZINC000111376582 454862535 /nfs/dbraw/zinc/86/25/35/454862535.db2.gz IDEHRPLHJDBGIE-QWHCGFSZSA-N 1 2 334.489 3.087 20 30 EGEDLO C[C@@]([NH2+]CC#Cc1cccc(Cl)c1)(C(N)=O)c1cccc(Cl)c1 ZINC000127256594 454949336 /nfs/dbraw/zinc/94/93/36/454949336.db2.gz LPKDTUUIDARRAE-SFHVURJKSA-N 1 2 347.245 3.335 20 30 EGEDLO N#Cc1ccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC000127474274 454967851 /nfs/dbraw/zinc/96/78/51/454967851.db2.gz QNIBJELDQNJYKL-OAHLLOKOSA-N 1 2 342.786 3.292 20 30 EGEDLO CC[N@H+](CCCNC(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 ZINC000151683910 455017064 /nfs/dbraw/zinc/01/70/64/455017064.db2.gz HYVKJYBMFVZPRK-UHFFFAOYSA-N 1 2 343.377 3.483 20 30 EGEDLO CC[N@@H+](CCCNC(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 ZINC000151683910 455017067 /nfs/dbraw/zinc/01/70/67/455017067.db2.gz HYVKJYBMFVZPRK-UHFFFAOYSA-N 1 2 343.377 3.483 20 30 EGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C2(C#N)CCCCC2)CC1 ZINC000128621976 455072788 /nfs/dbraw/zinc/07/27/88/455072788.db2.gz CTSIQCZHOYAGKA-OAHLLOKOSA-N 1 2 331.485 3.427 20 30 EGEDLO N#CCCn1ccc(NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)n1 ZINC000117710181 455091532 /nfs/dbraw/zinc/09/15/32/455091532.db2.gz LGDKLWKBCZGBAG-UHFFFAOYSA-N 1 2 333.351 3.236 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000152396654 455112641 /nfs/dbraw/zinc/11/26/41/455112641.db2.gz UQWPXVOHUXKGOG-KBPBESRZSA-N 1 2 349.525 3.457 20 30 EGEDLO C=CCCC[C@@H](C)NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000180389336 455162938 /nfs/dbraw/zinc/16/29/38/455162938.db2.gz VWHVJQNNFCWCTN-QGZVFWFLSA-N 1 2 345.487 3.063 20 30 EGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCSC[C@@H]1C ZINC000172587589 455163081 /nfs/dbraw/zinc/16/30/81/455163081.db2.gz JATNAOCYTJLMBM-KBPBESRZSA-N 1 2 349.525 3.314 20 30 EGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCSC[C@@H]1C ZINC000172587589 455163083 /nfs/dbraw/zinc/16/30/83/455163083.db2.gz JATNAOCYTJLMBM-KBPBESRZSA-N 1 2 349.525 3.314 20 30 EGEDLO N#Cc1c(F)cccc1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000190161078 455284636 /nfs/dbraw/zinc/28/46/36/455284636.db2.gz AXYOENYPZJKOBX-UHFFFAOYSA-N 1 2 348.381 3.067 20 30 EGEDLO CC(C)[N@H+](Cc1cc(C#N)cs1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000158540941 455311757 /nfs/dbraw/zinc/31/17/57/455311757.db2.gz ATSLDBCIHSAFDI-UHFFFAOYSA-N 1 2 338.436 3.267 20 30 EGEDLO CC(C)[N@@H+](Cc1cc(C#N)cs1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000158540941 455311760 /nfs/dbraw/zinc/31/17/60/455311760.db2.gz ATSLDBCIHSAFDI-UHFFFAOYSA-N 1 2 338.436 3.267 20 30 EGEDLO N#CC[N@@H+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)C1CCCC1 ZINC000265672001 455360136 /nfs/dbraw/zinc/36/01/36/455360136.db2.gz XXUAIAOQTSNBEY-OAHLLOKOSA-N 1 2 342.361 3.213 20 30 EGEDLO N#CC[N@H+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)C1CCCC1 ZINC000265672001 455360137 /nfs/dbraw/zinc/36/01/37/455360137.db2.gz XXUAIAOQTSNBEY-OAHLLOKOSA-N 1 2 342.361 3.213 20 30 EGEDLO C#CC[N@@H+](Cc1cc(-c2cnn(C)c2C)no1)Cc1ccc(F)cc1 ZINC000184480897 455387275 /nfs/dbraw/zinc/38/72/75/455387275.db2.gz UZWKWYFWNIYWJQ-UHFFFAOYSA-N 1 2 338.386 3.158 20 30 EGEDLO C#CC[N@H+](Cc1cc(-c2cnn(C)c2C)no1)Cc1ccc(F)cc1 ZINC000184480897 455387278 /nfs/dbraw/zinc/38/72/78/455387278.db2.gz UZWKWYFWNIYWJQ-UHFFFAOYSA-N 1 2 338.386 3.158 20 30 EGEDLO C[C@H]1CC[N@H+](CC(=O)NC2(C#N)CCCCC2)[C@H](c2ccco2)C1 ZINC000174507122 455398558 /nfs/dbraw/zinc/39/85/58/455398558.db2.gz UTOGUVLIPMOQGO-HOTGVXAUSA-N 1 2 329.444 3.395 20 30 EGEDLO C[C@H]1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)[C@H](c2ccco2)C1 ZINC000174507122 455398563 /nfs/dbraw/zinc/39/85/63/455398563.db2.gz UTOGUVLIPMOQGO-HOTGVXAUSA-N 1 2 329.444 3.395 20 30 EGEDLO COc1ccc([C@@H](C)CC/[NH+]=C/c2c(O)c(C)ncc2CO)cc1 ZINC000265934866 455410279 /nfs/dbraw/zinc/41/02/79/455410279.db2.gz GSJRTWWSZNGGGK-HSWQHBDASA-N 1 2 328.412 3.209 20 30 EGEDLO C=C(C)[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(F)c(F)c1 ZINC000184844816 455459473 /nfs/dbraw/zinc/45/94/73/455459473.db2.gz HGKQBRAAZRWBQP-SUMWQHHRSA-N 1 2 331.366 3.157 20 30 EGEDLO C=CCc1cc(C[N@@H+]([C@H](C)C(=O)OCC)C2CC2)cc(OC)c1O ZINC000191714383 455512244 /nfs/dbraw/zinc/51/22/44/455512244.db2.gz DXNLYRRPFFVXLF-CYBMUJFWSA-N 1 2 333.428 3.045 20 30 EGEDLO C=CCc1cc(C[N@H+]([C@H](C)C(=O)OCC)C2CC2)cc(OC)c1O ZINC000191714383 455512248 /nfs/dbraw/zinc/51/22/48/455512248.db2.gz DXNLYRRPFFVXLF-CYBMUJFWSA-N 1 2 333.428 3.045 20 30 EGEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616925809 460676244 /nfs/dbraw/zinc/67/62/44/460676244.db2.gz QVSPQHBTDLKIRU-UHFFFAOYSA-N 1 2 339.317 3.266 20 30 EGEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616925809 460676248 /nfs/dbraw/zinc/67/62/48/460676248.db2.gz QVSPQHBTDLKIRU-UHFFFAOYSA-N 1 2 339.317 3.266 20 30 EGEDLO C=CCCCC(=O)NC1(c2noc(C[NH+](CC)CC)n2)CCCC1 ZINC000267331759 455541026 /nfs/dbraw/zinc/54/10/26/455541026.db2.gz RJPIFVYPJHIRSK-UHFFFAOYSA-N 1 2 334.464 3.153 20 30 EGEDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000161167767 455543242 /nfs/dbraw/zinc/54/32/42/455543242.db2.gz XLGNHMULNBKTEE-CYBMUJFWSA-N 1 2 342.830 3.456 20 30 EGEDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000161167767 455543244 /nfs/dbraw/zinc/54/32/44/455543244.db2.gz XLGNHMULNBKTEE-CYBMUJFWSA-N 1 2 342.830 3.456 20 30 EGEDLO N#CC1(NC(=O)C[N@@H+]2CCc3cc(Cl)ccc3C2)CCCCC1 ZINC000192246554 455580894 /nfs/dbraw/zinc/58/08/94/455580894.db2.gz DWYASFFGTKCSPR-UHFFFAOYSA-N 1 2 331.847 3.041 20 30 EGEDLO N#CC1(NC(=O)C[N@H+]2CCc3cc(Cl)ccc3C2)CCCCC1 ZINC000192246554 455580898 /nfs/dbraw/zinc/58/08/98/455580898.db2.gz DWYASFFGTKCSPR-UHFFFAOYSA-N 1 2 331.847 3.041 20 30 EGEDLO COc1ccccc1N1CC[C@@H]([N@H+](CCC#N)CC(C)(C)C)C1=O ZINC000192599509 455649729 /nfs/dbraw/zinc/64/97/29/455649729.db2.gz RSEYBVOONSUGJT-MRXNPFEDSA-N 1 2 329.444 3.062 20 30 EGEDLO COc1ccccc1N1CC[C@@H]([N@@H+](CCC#N)CC(C)(C)C)C1=O ZINC000192599509 455649733 /nfs/dbraw/zinc/64/97/33/455649733.db2.gz RSEYBVOONSUGJT-MRXNPFEDSA-N 1 2 329.444 3.062 20 30 EGEDLO N#Cc1ccc(/C=C/c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000277925282 455711331 /nfs/dbraw/zinc/71/13/31/455711331.db2.gz DBOBYRSNWNLTKM-PIIXRYACSA-N 1 2 336.395 3.037 20 30 EGEDLO N#Cc1ccc(/C=C/c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000277925282 455711336 /nfs/dbraw/zinc/71/13/36/455711336.db2.gz DBOBYRSNWNLTKM-PIIXRYACSA-N 1 2 336.395 3.037 20 30 EGEDLO CCOC(=O)C[N@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193047096 455739693 /nfs/dbraw/zinc/73/96/93/455739693.db2.gz KJKBUCBHTGTOMI-UHFFFAOYSA-N 1 2 336.435 3.381 20 30 EGEDLO CCOC(=O)C[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193047096 455739700 /nfs/dbraw/zinc/73/97/00/455739700.db2.gz KJKBUCBHTGTOMI-UHFFFAOYSA-N 1 2 336.435 3.381 20 30 EGEDLO OC1(c2c(F)cccc2F)CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000186483776 455778394 /nfs/dbraw/zinc/77/83/94/455778394.db2.gz GCRCBXBZZHWBPH-UHFFFAOYSA-N 1 2 345.364 3.439 20 30 EGEDLO N#Cc1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c(Cl)c1 ZINC000269171345 455803358 /nfs/dbraw/zinc/80/33/58/455803358.db2.gz XKMGEUBHDYHRGI-UHFFFAOYSA-N 1 2 329.791 3.277 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1)OCC ZINC000294190876 455808045 /nfs/dbraw/zinc/80/80/45/455808045.db2.gz OENRLMXUVSOVBZ-SJLPKXTDSA-N 1 2 327.428 3.329 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(Sc3ccccn3)o2)C1=O ZINC000294596832 455821012 /nfs/dbraw/zinc/82/10/12/455821012.db2.gz HTUZVENHEKJVHK-OAHLLOKOSA-N 1 2 343.452 3.045 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(Sc3ccccn3)o2)C1=O ZINC000294596832 455821016 /nfs/dbraw/zinc/82/10/16/455821016.db2.gz HTUZVENHEKJVHK-OAHLLOKOSA-N 1 2 343.452 3.045 20 30 EGEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000278543900 455838915 /nfs/dbraw/zinc/83/89/15/455838915.db2.gz GQHIMZOXFVQOTC-DGCLKSJQSA-N 1 2 325.243 3.203 20 30 EGEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000278543906 455840507 /nfs/dbraw/zinc/84/05/07/455840507.db2.gz GQHIMZOXFVQOTC-WCQYABFASA-N 1 2 325.243 3.203 20 30 EGEDLO CCCCCCCCNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000269925449 455855037 /nfs/dbraw/zinc/85/50/37/455855037.db2.gz BYGUUQHKNBYKSB-UHFFFAOYSA-N 1 2 348.491 3.078 20 30 EGEDLO COc1cccc(/C=[NH+]\C[C@H]2CCCN2C(=O)OC(C)(C)C)c1O ZINC000255328719 455865213 /nfs/dbraw/zinc/86/52/13/455865213.db2.gz LLESXSXMBWJZRY-AXLWCPOOSA-N 1 2 334.416 3.219 20 30 EGEDLO C=C(C)[C@@H](CC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)OCC ZINC000270068412 455871084 /nfs/dbraw/zinc/87/10/84/455871084.db2.gz QYVSSMWZXUESTF-VQIMIIECSA-N 1 2 346.471 3.390 20 30 EGEDLO C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000279915007 455876584 /nfs/dbraw/zinc/87/65/84/455876584.db2.gz KBVIPVIGZBRRSE-UHFFFAOYSA-N 1 2 338.455 3.436 20 30 EGEDLO C=C(C)[C@@H](CC(=O)NCc1[nH+]ccn1CCc1ccccc1)OCC ZINC000270231345 455908098 /nfs/dbraw/zinc/90/80/98/455908098.db2.gz VDEMUORSXAPLHD-GOSISDBHSA-N 1 2 341.455 3.113 20 30 EGEDLO CC(C)[C@H](NC(=O)C[NH+]1CCC(C)(C#N)CC1)c1ccc(F)cc1 ZINC000272608332 456012637 /nfs/dbraw/zinc/01/26/37/456012637.db2.gz RWTMIXDHGIBAEZ-SFHVURJKSA-N 1 2 331.435 3.265 20 30 EGEDLO CC1(C#N)CC[NH+](CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000272617433 456015875 /nfs/dbraw/zinc/01/58/75/456015875.db2.gz UCTDEHVWOHALFT-UHFFFAOYSA-N 1 2 325.334 3.270 20 30 EGEDLO C=C[C@H](Cc1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1)c1ccccc1 ZINC000272627613 456018870 /nfs/dbraw/zinc/01/88/70/456018870.db2.gz JYJMCAKYOMYNEY-WBVHZDCISA-N 1 2 327.428 3.364 20 30 EGEDLO C=C[C@H](Cc1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1)c1ccccc1 ZINC000272627613 456018877 /nfs/dbraw/zinc/01/88/77/456018877.db2.gz JYJMCAKYOMYNEY-WBVHZDCISA-N 1 2 327.428 3.364 20 30 EGEDLO Cn1c[nH+]cc1CCC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl ZINC000280656220 456025235 /nfs/dbraw/zinc/02/52/35/456025235.db2.gz ZVAZVPOFGYAKHJ-CYBMUJFWSA-N 1 2 337.210 3.041 20 30 EGEDLO C=CC[C@@H](CC)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000280931063 456085199 /nfs/dbraw/zinc/08/51/99/456085199.db2.gz FYDSQRQHOTYTBC-CJNGLKHVSA-N 1 2 330.407 3.303 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000188597255 456093102 /nfs/dbraw/zinc/09/31/02/456093102.db2.gz DXJWVYINCARNSA-FQEVSTJZSA-N 1 2 345.487 3.307 20 30 EGEDLO C#CCCCCNC(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280980670 456099589 /nfs/dbraw/zinc/09/95/89/456099589.db2.gz UJUXFZHXPXSVPK-UHFFFAOYSA-N 1 2 338.455 3.495 20 30 EGEDLO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000612747501 460717352 /nfs/dbraw/zinc/71/73/52/460717352.db2.gz QDCHCQKMXYMLFG-FQEVSTJZSA-N 1 2 347.462 3.469 20 30 EGEDLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000612747501 460717359 /nfs/dbraw/zinc/71/73/59/460717359.db2.gz QDCHCQKMXYMLFG-FQEVSTJZSA-N 1 2 347.462 3.469 20 30 EGEDLO CC(C)(C)OC(=O)NCC1(C[N@H+](CCC#N)Cc2ccccn2)CC1 ZINC000297773724 456291299 /nfs/dbraw/zinc/29/12/99/456291299.db2.gz MJEGGGGBLBWRFO-UHFFFAOYSA-N 1 2 344.459 3.102 20 30 EGEDLO CC(C)(C)OC(=O)NCC1(C[N@@H+](CCC#N)Cc2ccccn2)CC1 ZINC000297773724 456291306 /nfs/dbraw/zinc/29/13/06/456291306.db2.gz MJEGGGGBLBWRFO-UHFFFAOYSA-N 1 2 344.459 3.102 20 30 EGEDLO Cn1c2ccccc2[nH+]c1CCCNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000302234149 456324309 /nfs/dbraw/zinc/32/43/09/456324309.db2.gz ZYZBKZDFIKOXPX-UHFFFAOYSA-N 1 2 335.367 3.398 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2c2nc3ccccc3o2)C1=O ZINC000337171673 456333263 /nfs/dbraw/zinc/33/32/63/456333263.db2.gz DYEPHSLGZALESQ-CVEARBPZSA-N 1 2 325.412 3.142 20 30 EGEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2c2nc3ccccc3o2)C1=O ZINC000337171673 456333267 /nfs/dbraw/zinc/33/32/67/456333267.db2.gz DYEPHSLGZALESQ-CVEARBPZSA-N 1 2 325.412 3.142 20 30 EGEDLO COc1ccc([C@@H](Nc2ccc(C)c(C#N)n2)c2[nH+]ccn2C)cc1 ZINC000302725148 456384765 /nfs/dbraw/zinc/38/47/65/456384765.db2.gz RLDUQBCLUDJUTQ-GOSISDBHSA-N 1 2 333.395 3.205 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000276109337 456390448 /nfs/dbraw/zinc/39/04/48/456390448.db2.gz WZMCIZMLBQPURM-QGZVFWFLSA-N 1 2 332.492 3.260 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000276109337 456390453 /nfs/dbraw/zinc/39/04/53/456390453.db2.gz WZMCIZMLBQPURM-QGZVFWFLSA-N 1 2 332.492 3.260 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000352939701 456423441 /nfs/dbraw/zinc/42/34/41/456423441.db2.gz BTFYFGDMBYNOER-HNNXBMFYSA-N 1 2 345.447 3.166 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000352939701 456423448 /nfs/dbraw/zinc/42/34/48/456423448.db2.gz BTFYFGDMBYNOER-HNNXBMFYSA-N 1 2 345.447 3.166 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NCc1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000343154180 456437954 /nfs/dbraw/zinc/43/79/54/456437954.db2.gz PLZFWSKWFDRRCU-INIZCTEOSA-N 1 2 326.787 3.417 20 30 EGEDLO Cc1ccc2oc(N3CC[NH+](Cc4ccccc4C#N)CC3)nc2c1 ZINC000303289756 456456269 /nfs/dbraw/zinc/45/62/69/456456269.db2.gz NXLWAWMBLHTESJ-UHFFFAOYSA-N 1 2 332.407 3.330 20 30 EGEDLO C=CCCOCCCCC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000337655909 456462541 /nfs/dbraw/zinc/46/25/41/456462541.db2.gz NNOFMXJWPXOINE-SFHVURJKSA-N 1 2 334.435 3.062 20 30 EGEDLO CCOC(=O)[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)[C@H](C)CC ZINC000276516435 456503804 /nfs/dbraw/zinc/50/38/04/456503804.db2.gz UOBJOIXYXYLFCI-CRAIPNDOSA-N 1 2 331.460 3.104 20 30 EGEDLO N#CCc1ccc(OC[C@H](O)Cn2cc[nH+]c2-c2ccccc2)cc1 ZINC000304338714 456508342 /nfs/dbraw/zinc/50/83/42/456508342.db2.gz WMJYMQWMPVXYIN-GOSISDBHSA-N 1 2 333.391 3.056 20 30 EGEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1Cl)C1CC1 ZINC000298700219 456519239 /nfs/dbraw/zinc/51/92/39/456519239.db2.gz HECZMVJDVOFEHW-WMZOPIPTSA-N 1 2 331.847 3.285 20 30 EGEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H]1c1ccccc1Cl)C1CC1 ZINC000298700219 456519247 /nfs/dbraw/zinc/51/92/47/456519247.db2.gz HECZMVJDVOFEHW-WMZOPIPTSA-N 1 2 331.847 3.285 20 30 EGEDLO CC(=O)NCC[N@H+](CC#Cc1cccc(Cl)c1)Cc1ccsc1 ZINC000282470097 456524114 /nfs/dbraw/zinc/52/41/14/456524114.db2.gz KPGGMCAQYGFCKH-UHFFFAOYSA-N 1 2 346.883 3.391 20 30 EGEDLO CC(=O)NCC[N@@H+](CC#Cc1cccc(Cl)c1)Cc1ccsc1 ZINC000282470097 456524124 /nfs/dbraw/zinc/52/41/24/456524124.db2.gz KPGGMCAQYGFCKH-UHFFFAOYSA-N 1 2 346.883 3.391 20 30 EGEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000298719063 456524286 /nfs/dbraw/zinc/52/42/86/456524286.db2.gz NHVSBISATQUNJX-SJLPKXTDSA-N 1 2 343.471 3.049 20 30 EGEDLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000298719063 456524290 /nfs/dbraw/zinc/52/42/90/456524290.db2.gz NHVSBISATQUNJX-SJLPKXTDSA-N 1 2 343.471 3.049 20 30 EGEDLO CCc1nocc1C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000353240404 456581196 /nfs/dbraw/zinc/58/11/96/456581196.db2.gz XSJHJACRPHETRS-UHFFFAOYSA-N 1 2 330.819 3.084 20 30 EGEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3cc(C#N)n(C)c3)n2)cc1 ZINC000276806136 456585242 /nfs/dbraw/zinc/58/52/42/456585242.db2.gz WZCVZWMPVBYTGD-CYBMUJFWSA-N 1 2 335.411 3.360 20 30 EGEDLO Cc1nocc1C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000353257954 456591625 /nfs/dbraw/zinc/59/16/25/456591625.db2.gz KQMRQACMXMLHSO-QGZVFWFLSA-N 1 2 330.819 3.019 20 30 EGEDLO CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(C#N)cc1 ZINC000337977663 456633735 /nfs/dbraw/zinc/63/37/35/456633735.db2.gz JBFBPAAYNMUZPV-UHFFFAOYSA-N 1 2 330.391 3.470 20 30 EGEDLO C[C@@H](NC(=O)Cc1c(F)cccc1C#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000353369862 456654620 /nfs/dbraw/zinc/65/46/20/456654620.db2.gz BAEQHQSWFIZFTG-CQSZACIVSA-N 1 2 348.381 3.303 20 30 EGEDLO CC[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCN(c2ccccc2)C1=O ZINC000343492331 456657904 /nfs/dbraw/zinc/65/79/04/456657904.db2.gz LBXPNGPIUONTHX-LJQANCHMSA-N 1 2 337.398 3.325 20 30 EGEDLO CC[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCN(c2ccccc2)C1=O ZINC000343492331 456657910 /nfs/dbraw/zinc/65/79/10/456657910.db2.gz LBXPNGPIUONTHX-LJQANCHMSA-N 1 2 337.398 3.325 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(O)cc(C(F)(F)F)c2)n1 ZINC000291504999 456662266 /nfs/dbraw/zinc/66/22/66/456662266.db2.gz HTPKQLQMMFAAHQ-UHFFFAOYSA-N 1 2 337.345 3.263 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(O)cc(C(F)(F)F)c2)n1 ZINC000291504999 456662268 /nfs/dbraw/zinc/66/22/68/456662268.db2.gz HTPKQLQMMFAAHQ-UHFFFAOYSA-N 1 2 337.345 3.263 20 30 EGEDLO N#Cc1nnc2ccccc2c1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000340779974 456682224 /nfs/dbraw/zinc/68/22/24/456682224.db2.gz NORDYPNHDFSQFE-UHFFFAOYSA-N 1 2 346.438 3.395 20 30 EGEDLO [O-]C(=[NH+]C[C@H]1CCCn2cc[nH+]c21)N1CCc2c(F)ccc(F)c2C1 ZINC000328605574 456716594 /nfs/dbraw/zinc/71/65/94/456716594.db2.gz JSOBUPPOXFVGPX-GFCCVEGCSA-N 1 2 346.381 3.011 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1)OCC ZINC000338260823 456738540 /nfs/dbraw/zinc/73/85/40/456738540.db2.gz JQMLLBIDLPVSDC-IAGOWNOFSA-N 1 2 336.863 3.184 20 30 EGEDLO C[N@H+](CCOc1ccccc1C#N)Cc1nccn1Cc1ccccc1 ZINC000353535654 456740417 /nfs/dbraw/zinc/74/04/17/456740417.db2.gz WLZKODHVTCHBPS-UHFFFAOYSA-N 1 2 346.434 3.314 20 30 EGEDLO C[N@@H+](CCOc1ccccc1C#N)Cc1nccn1Cc1ccccc1 ZINC000353535654 456740422 /nfs/dbraw/zinc/74/04/22/456740422.db2.gz WLZKODHVTCHBPS-UHFFFAOYSA-N 1 2 346.434 3.314 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(Oc3ccccc3)o2)C1=O ZINC000343629847 456756202 /nfs/dbraw/zinc/75/62/02/456756202.db2.gz YWZNUJVZYSPXKC-QGZVFWFLSA-N 1 2 326.396 3.291 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(Oc3ccccc3)o2)C1=O ZINC000343629847 456756211 /nfs/dbraw/zinc/75/62/11/456756211.db2.gz YWZNUJVZYSPXKC-QGZVFWFLSA-N 1 2 326.396 3.291 20 30 EGEDLO Cc1noc(C)c1C(C)(C)[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000353577036 456776365 /nfs/dbraw/zinc/77/63/65/456776365.db2.gz RDMBPJOGIFYEGJ-UHFFFAOYSA-N 1 2 337.383 3.238 20 30 EGEDLO CN(C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1)c1ccc(F)cc1 ZINC000328894060 456786823 /nfs/dbraw/zinc/78/68/23/456786823.db2.gz ANPGVFRUFMKLHA-INIZCTEOSA-N 1 2 346.406 3.077 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(OC)cc1OC ZINC000348635184 456790789 /nfs/dbraw/zinc/79/07/89/456790789.db2.gz MZPXATBFOMETAD-UHFFFAOYSA-N 1 2 331.412 3.367 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(OC)cc1OC ZINC000348635184 456790798 /nfs/dbraw/zinc/79/07/98/456790798.db2.gz MZPXATBFOMETAD-UHFFFAOYSA-N 1 2 331.412 3.367 20 30 EGEDLO N#CC1(C[N@@H+](CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)CC1 ZINC000344114163 456798439 /nfs/dbraw/zinc/79/84/39/456798439.db2.gz MMOCDBUKGHBTLD-AWEZNQCLSA-N 1 2 346.780 3.411 20 30 EGEDLO N#CC1(C[N@H+](CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)CC1 ZINC000344114163 456798442 /nfs/dbraw/zinc/79/84/42/456798442.db2.gz MMOCDBUKGHBTLD-AWEZNQCLSA-N 1 2 346.780 3.411 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CCC(=O)[C@H](C)C1)C1CCOCC1 ZINC000329057421 456824438 /nfs/dbraw/zinc/82/44/38/456824438.db2.gz MOHDFDNSUJFICN-FRFSOERESA-N 1 2 347.459 3.333 20 30 EGEDLO CC[C@@H]1CC[C@H](C(=O)N[C@H](c2[nH+]ccn2CC)C2CCOCC2)O1 ZINC000329079411 456830851 /nfs/dbraw/zinc/83/08/51/456830851.db2.gz QWRFUZXGBDNILL-OAGGEKHMSA-N 1 2 335.448 3.285 20 30 EGEDLO COc1cc(OC)cc(C2(F)CC[NH+](C[C@@H](C#N)CCC#N)CC2)c1 ZINC000338633932 456847299 /nfs/dbraw/zinc/84/72/99/456847299.db2.gz SJDSHHTXUJQHBR-OAHLLOKOSA-N 1 2 345.418 3.408 20 30 EGEDLO Cc1cc([NH+]2CCCCCC2)ccc1NC([O-])=[NH+][C@@H]1CNC(=O)C1 ZINC000329231525 456858368 /nfs/dbraw/zinc/85/83/68/456858368.db2.gz FGRPOAORYCVKFN-AWEZNQCLSA-N 1 2 330.432 3.430 20 30 EGEDLO CCn1cc[nH+]c1[C@@H](NC(=O)N1CCCC2(CC2)C1)C1CCOCC1 ZINC000329244881 456859684 /nfs/dbraw/zinc/85/96/84/456859684.db2.gz UWSACYNILYSFEP-INIZCTEOSA-N 1 2 346.475 3.161 20 30 EGEDLO CC[C@]1(C)CCCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)C1 ZINC000329322670 456872955 /nfs/dbraw/zinc/87/29/55/456872955.db2.gz JNUFZXXBCXNIGB-QFBILLFUSA-N 1 2 348.491 3.314 20 30 EGEDLO CC[C@@H]1CCCCN1C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329356676 456878264 /nfs/dbraw/zinc/87/82/64/456878264.db2.gz WIWGJBIOUULFLF-CVEARBPZSA-N 1 2 334.464 3.066 20 30 EGEDLO CC1(C#N)CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000329387543 456883203 /nfs/dbraw/zinc/88/32/03/456883203.db2.gz QYYQKXCQUXTSHM-UHFFFAOYSA-N 1 2 347.488 3.300 20 30 EGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NC1CC(C(F)(F)F)C1)C2 ZINC000329703673 456929552 /nfs/dbraw/zinc/92/95/52/456929552.db2.gz IXRHBEZPGSBOHL-UHFFFAOYSA-N 1 2 344.381 3.157 20 30 EGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NCC2(C)CCCCC2)CCO1 ZINC000329744050 456934637 /nfs/dbraw/zinc/93/46/37/456934637.db2.gz QLTVIKUEDLWQDE-ZBFHGGJFSA-N 1 2 334.464 3.114 20 30 EGEDLO CCc1nnc(C)cc1C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329778627 456939426 /nfs/dbraw/zinc/93/94/26/456939426.db2.gz LHJYLNYFXYPPHW-CYBMUJFWSA-N 1 2 341.459 3.161 20 30 EGEDLO CC[C@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)CCS1 ZINC000329812036 456944369 /nfs/dbraw/zinc/94/43/69/456944369.db2.gz MZSAMEKIOULWDI-AWEZNQCLSA-N 1 2 336.457 3.263 20 30 EGEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)CCS1 ZINC000329812036 456944370 /nfs/dbraw/zinc/94/43/70/456944370.db2.gz MZSAMEKIOULWDI-AWEZNQCLSA-N 1 2 336.457 3.263 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@H+](CCOc3cccc(F)c3)CCO2)c1 ZINC000341806012 456952345 /nfs/dbraw/zinc/95/23/45/456952345.db2.gz GDPQVEFOZVLJEE-IBGZPJMESA-N 1 2 326.371 3.150 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCOc3cccc(F)c3)CCO2)c1 ZINC000341806012 456952346 /nfs/dbraw/zinc/95/23/46/456952346.db2.gz GDPQVEFOZVLJEE-IBGZPJMESA-N 1 2 326.371 3.150 20 30 EGEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C#N)c1ccc(F)cc1)C2 ZINC000353917937 456964820 /nfs/dbraw/zinc/96/48/20/456964820.db2.gz XWKQTJHBOZMALL-DYVFJYSZSA-N 1 2 340.402 3.158 20 30 EGEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C#N)c1ccc(F)cc1)CC2 ZINC000353917937 456964825 /nfs/dbraw/zinc/96/48/25/456964825.db2.gz XWKQTJHBOZMALL-DYVFJYSZSA-N 1 2 340.402 3.158 20 30 EGEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1 ZINC000330075861 456981238 /nfs/dbraw/zinc/98/12/38/456981238.db2.gz DJXJYVVHIWQCGL-IBGZPJMESA-N 1 2 340.427 3.117 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)C1CC1 ZINC000345568565 456983920 /nfs/dbraw/zinc/98/39/20/456983920.db2.gz CTNBHECEKKZHSO-DLBZAZTESA-N 1 2 337.427 3.215 20 30 EGEDLO C=CCOc1ccccc1C[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000349543107 456984232 /nfs/dbraw/zinc/98/42/32/456984232.db2.gz DZHBGXURFDTFEN-UHFFFAOYSA-N 1 2 342.464 3.271 20 30 EGEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)[C@@H]1C ZINC000330103585 456985439 /nfs/dbraw/zinc/98/54/39/456985439.db2.gz GJMJRGIFVTYFIW-OAFZBRQQSA-N 1 2 338.492 3.038 20 30 EGEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)[C@@H]1C ZINC000330103585 456985440 /nfs/dbraw/zinc/98/54/40/456985440.db2.gz GJMJRGIFVTYFIW-OAFZBRQQSA-N 1 2 338.492 3.038 20 30 EGEDLO Cc1ccccc1[C@@H]1C[C@H](C)N(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330199809 457001541 /nfs/dbraw/zinc/00/15/41/457001541.db2.gz VXNSUUSQFVXDFD-BBWFWOEESA-N 1 2 338.455 3.298 20 30 EGEDLO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330199809 457001544 /nfs/dbraw/zinc/00/15/44/457001544.db2.gz VXNSUUSQFVXDFD-BBWFWOEESA-N 1 2 338.455 3.298 20 30 EGEDLO CC(C)(C)c1nnc(NC(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)s1 ZINC000330265954 457015873 /nfs/dbraw/zinc/01/58/73/457015873.db2.gz ZYMMSAHHMSOQIL-OTYXRUKQSA-N 1 2 344.431 3.401 20 30 EGEDLO CC(C)(C)c1nnc(NC(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)s1 ZINC000330265954 457015878 /nfs/dbraw/zinc/01/58/78/457015878.db2.gz ZYMMSAHHMSOQIL-OTYXRUKQSA-N 1 2 344.431 3.401 20 30 EGEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CC2(CCCC2)c2ccccc21 ZINC000330274092 457018544 /nfs/dbraw/zinc/01/85/44/457018544.db2.gz JOFLAXWROJDCOQ-HNNXBMFYSA-N 1 2 336.439 3.444 20 30 EGEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccc2c(c1)NC(=O)CCS2 ZINC000330304891 457024507 /nfs/dbraw/zinc/02/45/07/457024507.db2.gz KRAJSAXIUSHQSH-GFCCVEGCSA-N 1 2 342.424 3.287 20 30 EGEDLO C[C@@H]1Sc2ccc(C(=O)N[C@H]3CCn4cc[nH+]c4C3)cc2NC1=O ZINC000330316510 457025936 /nfs/dbraw/zinc/02/59/36/457025936.db2.gz QAEPRBXHSXIZMX-JQWIXIFHSA-N 1 2 342.424 3.285 20 30 EGEDLO Cc1cc(C)n([C@H](C)CC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)n1 ZINC000330319814 457026932 /nfs/dbraw/zinc/02/69/32/457026932.db2.gz DOSPXGNMRMPMOA-BFYDXBDKSA-N 1 2 345.447 3.061 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000341990162 457045813 /nfs/dbraw/zinc/04/58/13/457045813.db2.gz KWPIXYQIXDHVCK-UHFFFAOYSA-N 1 2 341.224 3.340 20 30 EGEDLO C=C1CC[NH+](CC(=O)N(Cc2ccccc2)CC(F)(F)F)CC1 ZINC000341992372 457046831 /nfs/dbraw/zinc/04/68/31/457046831.db2.gz IQRAELNBOUORPW-UHFFFAOYSA-N 1 2 326.362 3.230 20 30 EGEDLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000330518912 457052353 /nfs/dbraw/zinc/05/23/53/457052353.db2.gz NIAWEMMDBGWCSD-FQEVSTJZSA-N 1 2 343.471 3.051 20 30 EGEDLO CC[C@@]1(C)COCC[N@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000330518912 457052360 /nfs/dbraw/zinc/05/23/60/457052360.db2.gz NIAWEMMDBGWCSD-FQEVSTJZSA-N 1 2 343.471 3.051 20 30 EGEDLO C=C1CC[NH+]([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000356568956 457060817 /nfs/dbraw/zinc/06/08/17/457060817.db2.gz XCKPFFQYXGOUPJ-HNNXBMFYSA-N 1 2 340.345 3.343 20 30 EGEDLO Cc1cc(NC(=O)N[C@@H](CCO)C(C)C)c[nH+]c1N1CCCC[C@H]1C ZINC000330775275 457083861 /nfs/dbraw/zinc/08/38/61/457083861.db2.gz HJDICCLZUXXUPM-WBVHZDCISA-N 1 2 348.491 3.311 20 30 EGEDLO CN(C)c1ccc(CNc2c(C#N)cnc3ccc(Cl)cc32)c[nH+]1 ZINC000359693796 457116889 /nfs/dbraw/zinc/11/68/89/457116889.db2.gz QEAMNDSMIUULHE-UHFFFAOYSA-N 1 2 337.814 3.255 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)c(C#N)c1C ZINC000359865007 457135434 /nfs/dbraw/zinc/13/54/34/457135434.db2.gz CRVFABCNXMURTO-PXAZEXFGSA-N 1 2 338.411 3.185 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)c(C#N)c1C ZINC000359865007 457135436 /nfs/dbraw/zinc/13/54/36/457135436.db2.gz CRVFABCNXMURTO-PXAZEXFGSA-N 1 2 338.411 3.185 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](C/C=C\c3ccc(F)cc3F)CC2)nc1 ZINC000350006990 457140532 /nfs/dbraw/zinc/14/05/32/457140532.db2.gz GUPSWMZFWWMDLH-UPHRSURJSA-N 1 2 340.377 3.067 20 30 EGEDLO CC[NH+]=C([O-])Nc1ccc(C)c(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC000331210404 457146342 /nfs/dbraw/zinc/14/63/42/457146342.db2.gz QZDXGRSFPHYPHI-ZIAGYGMSSA-N 1 2 332.448 3.152 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@H]1c1nc(Cn2c(CC)[nH+]c3ccccc32)no1 ZINC000347040827 457199087 /nfs/dbraw/zinc/19/90/87/457199087.db2.gz BHNPYECHOYHUCE-ACJLOTCBSA-N 1 2 338.411 3.479 20 30 EGEDLO Cc1nc(N2CC[NH+](Cc3cccc(F)c3)CC2)c(Cl)cc1C#N ZINC000360048722 457224956 /nfs/dbraw/zinc/22/49/56/457224956.db2.gz XKKTWRSLYVIWBS-UHFFFAOYSA-N 1 2 344.821 3.376 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@H]1C[C@@H](F)C[N@H+]1Cc1cccs1 ZINC000351419794 457284603 /nfs/dbraw/zinc/28/46/03/457284603.db2.gz QUHPKHPYDZKGIQ-HUUCEWRRSA-N 1 2 347.459 3.078 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@H]1C[C@@H](F)C[N@@H+]1Cc1cccs1 ZINC000351419794 457284605 /nfs/dbraw/zinc/28/46/05/457284605.db2.gz QUHPKHPYDZKGIQ-HUUCEWRRSA-N 1 2 347.459 3.078 20 30 EGEDLO C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)CCCC#N)c1 ZINC000360184778 457292311 /nfs/dbraw/zinc/29/23/11/457292311.db2.gz UXOJOYKVCAIQSX-UHFFFAOYSA-N 1 2 328.441 3.407 20 30 EGEDLO C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)CCCC#N)c1 ZINC000360184778 457292317 /nfs/dbraw/zinc/29/23/17/457292317.db2.gz UXOJOYKVCAIQSX-UHFFFAOYSA-N 1 2 328.441 3.407 20 30 EGEDLO C=CCOc1ccccc1-c1nc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000347221803 457295924 /nfs/dbraw/zinc/29/59/24/457295924.db2.gz BHDQSJFTCLCCLC-PBHICJAKSA-N 1 2 341.411 3.227 20 30 EGEDLO C=CCOc1ccccc1-c1nc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000347221803 457295931 /nfs/dbraw/zinc/29/59/31/457295931.db2.gz BHDQSJFTCLCCLC-PBHICJAKSA-N 1 2 341.411 3.227 20 30 EGEDLO COC[C@H]([NH2+]Cc1ccc(Br)cc1C#N)c1ccco1 ZINC000347235704 457303236 /nfs/dbraw/zinc/30/32/36/457303236.db2.gz SMVNCWGGJMOUCN-AWEZNQCLSA-N 1 2 335.201 3.391 20 30 EGEDLO COC(=O)c1cc(C[N@H+](CCC#N)CC(C)(C)C)cc(C(=O)OC)c1 ZINC000347243123 457306824 /nfs/dbraw/zinc/30/68/24/457306824.db2.gz UFIWSMHILXAYBR-UHFFFAOYSA-N 1 2 346.427 3.022 20 30 EGEDLO COC(=O)c1cc(C[N@@H+](CCC#N)CC(C)(C)C)cc(C(=O)OC)c1 ZINC000347243123 457306830 /nfs/dbraw/zinc/30/68/30/457306830.db2.gz UFIWSMHILXAYBR-UHFFFAOYSA-N 1 2 346.427 3.022 20 30 EGEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000357082790 457313375 /nfs/dbraw/zinc/31/33/75/457313375.db2.gz JNNLZVPSLHLOJB-GDBMZVCRSA-N 1 2 349.862 3.086 20 30 EGEDLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000357082790 457313379 /nfs/dbraw/zinc/31/33/79/457313379.db2.gz JNNLZVPSLHLOJB-GDBMZVCRSA-N 1 2 349.862 3.086 20 30 EGEDLO C=CCOc1cccc(C[NH+]2CCN(C(=O)c3ccsc3)CC2)c1 ZINC000352246499 457352281 /nfs/dbraw/zinc/35/22/81/457352281.db2.gz QIAPUHVUHWHRRV-UHFFFAOYSA-N 1 2 342.464 3.271 20 30 EGEDLO Cc1cc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)on1 ZINC000352365825 457358548 /nfs/dbraw/zinc/35/85/48/457358548.db2.gz XNGWFIYUQOKTQC-QGZVFWFLSA-N 1 2 330.819 3.019 20 30 EGEDLO N#CC1(F)CC[NH+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000352464259 457387978 /nfs/dbraw/zinc/38/79/78/457387978.db2.gz QYXNCYHSGFPUCK-QGZVFWFLSA-N 1 2 329.419 3.068 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352484138 457403901 /nfs/dbraw/zinc/40/39/01/457403901.db2.gz LYGMBKKKGFWIPJ-ZDUSSCGKSA-N 1 2 337.826 3.187 20 30 EGEDLO N#CCC1(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000374042446 457453834 /nfs/dbraw/zinc/45/38/34/457453834.db2.gz WFJHCSINKIPZOH-ZWKOTPCHSA-N 1 2 349.438 3.105 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000363954241 457467954 /nfs/dbraw/zinc/46/79/54/457467954.db2.gz VYUBWXBCVRBGDW-RBUKOAKNSA-N 1 2 344.418 3.175 20 30 EGEDLO C[C@H](c1ccsc1)[NH+]1CCN(c2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000425246251 457470919 /nfs/dbraw/zinc/47/09/19/457470919.db2.gz VSAIAIQWIYTEIO-CYBMUJFWSA-N 1 2 342.424 3.411 20 30 EGEDLO CCOCCOc1cc(C)ccc1CNc1cc(C)[nH+]cc1C#N ZINC000425247263 457471579 /nfs/dbraw/zinc/47/15/79/457471579.db2.gz ZGJZMSUBPPPLBD-UHFFFAOYSA-N 1 2 325.412 3.019 20 30 EGEDLO COc1cccc(C2(F)CC[NH+](Cc3nc(C#N)cs3)CC2)c1 ZINC000356293690 457556875 /nfs/dbraw/zinc/55/68/75/457556875.db2.gz FHLAPDUVMXTSTN-UHFFFAOYSA-N 1 2 331.416 3.484 20 30 EGEDLO Cc1nc(N2CCO[C@@H](c3cccc(C#N)c3)C2)c2c([nH+]1)CCCC2 ZINC000374749357 457699813 /nfs/dbraw/zinc/69/98/13/457699813.db2.gz KFIRWVRJTXRFFA-LJQANCHMSA-N 1 2 334.423 3.113 20 30 EGEDLO N#Cc1nc(N2CC[C@H](CNc3cccc[nH+]3)C2)ccc1C(F)(F)F ZINC000443512849 457773264 /nfs/dbraw/zinc/77/32/64/457773264.db2.gz VRSPPODJEYBNBX-GFCCVEGCSA-N 1 2 347.344 3.305 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+](C)CC(C)(C)C#N ZINC000433289482 457800937 /nfs/dbraw/zinc/80/09/37/457800937.db2.gz PVCQTONRIJEPRG-LLVKDONJSA-N 1 2 325.359 3.097 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+](C)CC(C)(C)C#N ZINC000433289482 457800943 /nfs/dbraw/zinc/80/09/43/457800943.db2.gz PVCQTONRIJEPRG-LLVKDONJSA-N 1 2 325.359 3.097 20 30 EGEDLO Cc1noc([C@H](C)[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)n1 ZINC000361608370 457801664 /nfs/dbraw/zinc/80/16/64/457801664.db2.gz FUDBSQXKYFKNNM-ZDUSSCGKSA-N 1 2 336.399 3.006 20 30 EGEDLO CC(C)(C)C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000427007349 457935599 /nfs/dbraw/zinc/93/55/99/457935599.db2.gz HIKIYYZAWACIFZ-KRWDZBQOSA-N 1 2 332.875 3.318 20 30 EGEDLO CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000427007349 457935603 /nfs/dbraw/zinc/93/56/03/457935603.db2.gz HIKIYYZAWACIFZ-KRWDZBQOSA-N 1 2 332.875 3.318 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccc(N4CCCC4)nc3)CCO2)c1 ZINC000371462943 457943750 /nfs/dbraw/zinc/94/37/50/457943750.db2.gz GKONHDNPSWPNAH-FQEVSTJZSA-N 1 2 348.450 3.127 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccc(N4CCCC4)nc3)CCO2)c1 ZINC000371462943 457943756 /nfs/dbraw/zinc/94/37/56/457943756.db2.gz GKONHDNPSWPNAH-FQEVSTJZSA-N 1 2 348.450 3.127 20 30 EGEDLO N#Cc1ccc(C2=CC[N@H+](Cc3ncnn3-c3ccccc3)CC2)cc1 ZINC000375611464 457990074 /nfs/dbraw/zinc/99/00/74/457990074.db2.gz JLGHJXLDMUGYTJ-UHFFFAOYSA-N 1 2 341.418 3.428 20 30 EGEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3ncnn3-c3ccccc3)CC2)cc1 ZINC000375611464 457990083 /nfs/dbraw/zinc/99/00/83/457990083.db2.gz JLGHJXLDMUGYTJ-UHFFFAOYSA-N 1 2 341.418 3.428 20 30 EGEDLO C=CC[N@@H+](CCOC)[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000362050144 458025759 /nfs/dbraw/zinc/02/57/59/458025759.db2.gz MGFKKXYMNXKFBY-FQEVSTJZSA-N 1 2 338.451 3.179 20 30 EGEDLO C=CC[N@H+](CCOC)[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000362050144 458025767 /nfs/dbraw/zinc/02/57/67/458025767.db2.gz MGFKKXYMNXKFBY-FQEVSTJZSA-N 1 2 338.451 3.179 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(=O)n2c(C)cccc2n1 ZINC000362189735 458040234 /nfs/dbraw/zinc/04/02/34/458040234.db2.gz YGEJNURHUHXBBT-UHFFFAOYSA-N 1 2 326.444 3.155 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(=O)n2c(C)cccc2n1 ZINC000362189735 458040242 /nfs/dbraw/zinc/04/02/42/458040242.db2.gz YGEJNURHUHXBBT-UHFFFAOYSA-N 1 2 326.444 3.155 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000362297857 458090166 /nfs/dbraw/zinc/09/01/66/458090166.db2.gz QUZDYKPBCXDKKC-LLVKDONJSA-N 1 2 336.233 3.315 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc(C#N)c(F)c1 ZINC000362297440 458090245 /nfs/dbraw/zinc/09/02/45/458090245.db2.gz OIDVBUQKKKOPAF-UHFFFAOYSA-N 1 2 344.296 3.272 20 30 EGEDLO N#Cc1cc(C(=O)N2CC[NH2+][C@@H](c3ccccc3Cl)C2)ccc1F ZINC000375880996 458106846 /nfs/dbraw/zinc/10/68/46/458106846.db2.gz YFSISJUWWZCXSL-QGZVFWFLSA-N 1 2 343.789 3.137 20 30 EGEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCc2ccccc2[C@@H]1C(N)=O ZINC000372021183 458164054 /nfs/dbraw/zinc/16/40/54/458164054.db2.gz FOKHMLKCYSPMJD-LJQANCHMSA-N 1 2 333.435 3.072 20 30 EGEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCc2ccccc2[C@@H]1C(N)=O ZINC000372021183 458164058 /nfs/dbraw/zinc/16/40/58/458164058.db2.gz FOKHMLKCYSPMJD-LJQANCHMSA-N 1 2 333.435 3.072 20 30 EGEDLO Cc1cc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413192496 458294969 /nfs/dbraw/zinc/29/49/69/458294969.db2.gz NDIWCUUCHNHULL-SJKOYZFVSA-N 1 2 325.372 3.059 20 30 EGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000413830806 458308228 /nfs/dbraw/zinc/30/82/28/458308228.db2.gz YJRQASRTQGJXEO-MSOLQXFVSA-N 1 2 338.455 3.486 20 30 EGEDLO C[N@H+](CCC#N)C[C@H](O)COc1c(Cl)cc(Cl)cc1Cl ZINC000414133933 458315252 /nfs/dbraw/zinc/31/52/52/458315252.db2.gz DHDYTWCWDWWGAV-JTQLQIEISA-N 1 2 337.634 3.232 20 30 EGEDLO C[N@@H+](CCC#N)C[C@H](O)COc1c(Cl)cc(Cl)cc1Cl ZINC000414133933 458315261 /nfs/dbraw/zinc/31/52/61/458315261.db2.gz DHDYTWCWDWWGAV-JTQLQIEISA-N 1 2 337.634 3.232 20 30 EGEDLO CN(C)c1[nH]c2ccc(NC(=O)[C@H](C#N)CCc3ccccc3)cc2[nH+]1 ZINC000416228850 458341080 /nfs/dbraw/zinc/34/10/80/458341080.db2.gz ZJPVINLNFOHGIB-HNNXBMFYSA-N 1 2 347.422 3.340 20 30 EGEDLO CC[N@H+](CCC#N)Cc1ccc(OC)cc1OCc1cccnc1 ZINC000447794120 458341571 /nfs/dbraw/zinc/34/15/71/458341571.db2.gz CJBKDCGMAYLUDY-UHFFFAOYSA-N 1 2 325.412 3.405 20 30 EGEDLO CC[N@@H+](CCC#N)Cc1ccc(OC)cc1OCc1cccnc1 ZINC000447794120 458341573 /nfs/dbraw/zinc/34/15/73/458341573.db2.gz CJBKDCGMAYLUDY-UHFFFAOYSA-N 1 2 325.412 3.405 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCCCNc1cccc[nH+]1 ZINC000416684582 458352999 /nfs/dbraw/zinc/35/29/99/458352999.db2.gz LKDATSNHKAXUKK-GOSISDBHSA-N 1 2 349.438 3.132 20 30 EGEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(c2cccc(Cl)c2C#N)C1 ZINC000418954922 458377174 /nfs/dbraw/zinc/37/71/74/458377174.db2.gz WYWFFBZGDDCJFW-SFHVURJKSA-N 1 2 349.862 3.112 20 30 EGEDLO C[N@H+](CC#Cc1ccc(F)cc1)CC(=O)Nc1cccc(Cl)c1 ZINC000448420705 458401019 /nfs/dbraw/zinc/40/10/19/458401019.db2.gz GPZMGIAGNCVQAL-UHFFFAOYSA-N 1 2 330.790 3.401 20 30 EGEDLO C[N@@H+](CC#Cc1ccc(F)cc1)CC(=O)Nc1cccc(Cl)c1 ZINC000448420705 458401025 /nfs/dbraw/zinc/40/10/25/458401025.db2.gz GPZMGIAGNCVQAL-UHFFFAOYSA-N 1 2 330.790 3.401 20 30 EGEDLO N#C[C@]1(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CC12CCCC2 ZINC000448566150 458402459 /nfs/dbraw/zinc/40/24/59/458402459.db2.gz QGXHMQMQTJMWJC-OUZREKFBSA-N 1 2 349.478 3.318 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccccn3)CC2)CCCCC1 ZINC000448612879 458403625 /nfs/dbraw/zinc/40/36/25/458403625.db2.gz KTSNNQRYVRBUBV-UHFFFAOYSA-N 1 2 327.472 3.252 20 30 EGEDLO CC1(C)CC[N@H+](Cc2cccc(OCCCC#N)c2)CC[S@]1=O ZINC000449574569 458427114 /nfs/dbraw/zinc/42/71/14/458427114.db2.gz XTJSHXABPRJLAZ-HSZRJFAPSA-N 1 2 334.485 3.102 20 30 EGEDLO CC1(C)CC[N@@H+](Cc2cccc(OCCCC#N)c2)CC[S@]1=O ZINC000449574569 458427118 /nfs/dbraw/zinc/42/71/18/458427118.db2.gz XTJSHXABPRJLAZ-HSZRJFAPSA-N 1 2 334.485 3.102 20 30 EGEDLO C=CCC[C@@H]([NH2+]Cc1c[nH]nc1-c1ccccc1F)C(=O)OCC ZINC000449655122 458428726 /nfs/dbraw/zinc/42/87/26/458428726.db2.gz GGRJZFZNWACYHB-MRXNPFEDSA-N 1 2 331.391 3.203 20 30 EGEDLO C=CCC[C@@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)C(=O)OCC ZINC000449656984 458429030 /nfs/dbraw/zinc/42/90/30/458429030.db2.gz NFILPWHVPVHWTF-QGZVFWFLSA-N 1 2 327.428 3.075 20 30 EGEDLO Cc1c(C#N)c(N2CC[C@@H](Oc3cc[nH+]cc3)C2)nc2ccccc12 ZINC000450373510 458446329 /nfs/dbraw/zinc/44/63/29/458446329.db2.gz ALOYCHNDGUKPFZ-MRXNPFEDSA-N 1 2 330.391 3.468 20 30 EGEDLO C=CCC1(CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CCCC1 ZINC000450843642 458457310 /nfs/dbraw/zinc/45/73/10/458457310.db2.gz IQJILCIKZFMZBF-MRXNPFEDSA-N 1 2 330.476 3.234 20 30 EGEDLO C=CCC1(CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CCCC1 ZINC000450843642 458457313 /nfs/dbraw/zinc/45/73/13/458457313.db2.gz IQJILCIKZFMZBF-MRXNPFEDSA-N 1 2 330.476 3.234 20 30 EGEDLO CC[C@H]1CC[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000437641193 458478404 /nfs/dbraw/zinc/47/84/04/458478404.db2.gz OXUGIGPCQDFRQL-IRJFHVNHSA-N 1 2 339.483 3.419 20 30 EGEDLO C=CC(C)(C)CNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000454646735 458570699 /nfs/dbraw/zinc/57/06/99/458570699.db2.gz QCWFQBKOVDRYHK-AWEZNQCLSA-N 1 2 325.403 3.079 20 30 EGEDLO Cc1cc(C)c(NC(=O)N2CCN(c3ccccc3C#N)CC2)c(C)[nH+]1 ZINC000455487643 458601338 /nfs/dbraw/zinc/60/13/38/458601338.db2.gz TWPNCIPUEFCCBC-UHFFFAOYSA-N 1 2 349.438 3.233 20 30 EGEDLO N#C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1c(Cl)cccc1Cl ZINC000455538864 458603333 /nfs/dbraw/zinc/60/33/33/458603333.db2.gz HZQRISOPHVKUKK-MFKMUULPSA-N 1 2 349.221 3.133 20 30 EGEDLO C=C[C@H]1CCCCN1C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000494182769 458637411 /nfs/dbraw/zinc/63/74/11/458637411.db2.gz MSCFPVWSALZDFT-YOEHRIQHSA-N 1 2 342.418 3.399 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)CCCCOc2cccc(C#N)c2)c2[nH+]ccn21 ZINC000456360074 458646916 /nfs/dbraw/zinc/64/69/16/458646916.db2.gz DCFDHUVRMFKPQO-PBHICJAKSA-N 1 2 338.411 3.126 20 30 EGEDLO C[C@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H](C2CC2)O1 ZINC000470918824 458664401 /nfs/dbraw/zinc/66/44/01/458664401.db2.gz KOKUDRCGXXBXQR-GUYCJALGSA-N 1 2 339.357 3.436 20 30 EGEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H](C2CC2)O1 ZINC000470918824 458664404 /nfs/dbraw/zinc/66/44/04/458664404.db2.gz KOKUDRCGXXBXQR-GUYCJALGSA-N 1 2 339.357 3.436 20 30 EGEDLO C=CC[NH+](CC=C)Cc1cn(-c2ccccc2)nc1C(=O)OCC ZINC000505907106 458749327 /nfs/dbraw/zinc/74/93/27/458749327.db2.gz JQGNWIJZELHUQQ-UHFFFAOYSA-N 1 2 325.412 3.223 20 30 EGEDLO C=C(C)COCCNC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000506985123 458752612 /nfs/dbraw/zinc/75/26/12/458752612.db2.gz IIUNZGNDDJITIS-INIZCTEOSA-N 1 2 346.475 3.483 20 30 EGEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)C1 ZINC000464827322 458780502 /nfs/dbraw/zinc/78/05/02/458780502.db2.gz HLAJMORVEKDPIT-BWPNAZKDSA-N 1 2 339.483 3.263 20 30 EGEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)C1 ZINC000464827322 458780511 /nfs/dbraw/zinc/78/05/11/458780511.db2.gz HLAJMORVEKDPIT-BWPNAZKDSA-N 1 2 339.483 3.263 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000464897260 458790313 /nfs/dbraw/zinc/79/03/13/458790313.db2.gz PASMOCIMZJJNKM-FQEVSTJZSA-N 1 2 343.446 3.359 20 30 EGEDLO C=CC[N@H+](CC(=O)NC1CCC(C)CC1)Cc1ccc(OC)cc1 ZINC000515781786 458812968 /nfs/dbraw/zinc/81/29/68/458812968.db2.gz YSPAMDYEKBKFGP-UHFFFAOYSA-N 1 2 330.472 3.378 20 30 EGEDLO C=CC[N@@H+](CC(=O)NC1CCC(C)CC1)Cc1ccc(OC)cc1 ZINC000515781786 458812975 /nfs/dbraw/zinc/81/29/75/458812975.db2.gz YSPAMDYEKBKFGP-UHFFFAOYSA-N 1 2 330.472 3.378 20 30 EGEDLO C[C@@H](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000518193149 458846972 /nfs/dbraw/zinc/84/69/72/458846972.db2.gz VPUQTMRMBIUFLE-ZDUSSCGKSA-N 1 2 335.329 3.021 20 30 EGEDLO C=CC[C@@H](CC)NC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000466390247 458896538 /nfs/dbraw/zinc/89/65/38/458896538.db2.gz HIKRSCDYVIJHSO-FUHWJXTLSA-N 1 2 345.487 3.438 20 30 EGEDLO COCc1nc(C[NH2+]C[C@H](C#N)CCC#N)c(-c2ccccc2)s1 ZINC000555943445 458920136 /nfs/dbraw/zinc/92/01/36/458920136.db2.gz ZFDWKOWCATVAGO-AWEZNQCLSA-N 1 2 340.452 3.490 20 30 EGEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000566428300 458929946 /nfs/dbraw/zinc/92/99/46/458929946.db2.gz DKJJCGGBEWEORF-KGLIPLIRSA-N 1 2 334.489 3.479 20 30 EGEDLO Cc1ccc(C[NH2+]C[C@@H](C#N)CCC#N)c(OC[C@H]2CCCO2)c1 ZINC000567207659 459063132 /nfs/dbraw/zinc/06/31/32/459063132.db2.gz NNOAHTQMBPWGLD-SJLPKXTDSA-N 1 2 327.428 3.086 20 30 EGEDLO CCOC1(C)CC[NH+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC1 ZINC000589998887 459065094 /nfs/dbraw/zinc/06/50/94/459065094.db2.gz PKEKFAKAROQMRA-UHFFFAOYSA-N 1 2 338.455 3.443 20 30 EGEDLO N#CC1(Cn2cc(C[NH2+]Cc3ccc(F)cc3)nn2)CCCCC1 ZINC000594657679 459122906 /nfs/dbraw/zinc/12/29/06/459122906.db2.gz DNGULHYNCRZDAD-UHFFFAOYSA-N 1 2 327.407 3.181 20 30 EGEDLO N#CC1CCC(CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000567722005 459153254 /nfs/dbraw/zinc/15/32/54/459153254.db2.gz HSFNXUGSZBBSEW-HTWSVDAQSA-N 1 2 336.439 3.378 20 30 EGEDLO COc1cccc2c1C[N@H+](CC(=O)N(CCC#N)c1ccccc1)CC2 ZINC000590759698 459208308 /nfs/dbraw/zinc/20/83/08/459208308.db2.gz IOXONAFBDYJTBN-UHFFFAOYSA-N 1 2 349.434 3.000 20 30 EGEDLO COc1cccc2c1C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)CC2 ZINC000590759698 459208310 /nfs/dbraw/zinc/20/83/10/459208310.db2.gz IOXONAFBDYJTBN-UHFFFAOYSA-N 1 2 349.434 3.000 20 30 EGEDLO C[C@H](NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C)c1cccc(C#N)c1 ZINC000590808477 459228705 /nfs/dbraw/zinc/22/87/05/459228705.db2.gz FTIMNXOOBVRRIT-BBRMVZONSA-N 1 2 337.427 3.145 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](CC(=O)Nc1ccccc1CC#N)C(F)(F)F ZINC000579857989 459252851 /nfs/dbraw/zinc/25/28/51/459252851.db2.gz NVXCEVRKAWNSTI-GFCCVEGCSA-N 1 2 336.317 3.161 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000559523388 459263938 /nfs/dbraw/zinc/26/39/38/459263938.db2.gz GEGMSCMXEURJFO-MRXNPFEDSA-N 1 2 343.446 3.313 20 30 EGEDLO C=CCOC[C@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1Cl)C(=O)OC ZINC000482439913 459308556 /nfs/dbraw/zinc/30/85/56/459308556.db2.gz PSLHUXWRQYMUKA-UAGQMJEPSA-N 1 2 337.847 3.310 20 30 EGEDLO N#CCC[C@H](C#N)C[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000568627623 459318916 /nfs/dbraw/zinc/31/89/16/459318916.db2.gz FITDNVGVVDOSQZ-YGRLFVJLSA-N 1 2 345.752 3.425 20 30 EGEDLO CC1(C)C[N@H+](CC(=O)NC2(C#N)CCCCC2)Cc2ccccc21 ZINC000536176289 459358528 /nfs/dbraw/zinc/35/85/28/459358528.db2.gz FNJVVCBSHPFDOK-UHFFFAOYSA-N 1 2 325.456 3.122 20 30 EGEDLO CC1(C)C[N@@H+](CC(=O)NC2(C#N)CCCCC2)Cc2ccccc21 ZINC000536176289 459358532 /nfs/dbraw/zinc/35/85/32/459358532.db2.gz FNJVVCBSHPFDOK-UHFFFAOYSA-N 1 2 325.456 3.122 20 30 EGEDLO CC(C)(C)C(=O)N1CC[N@H+](CC#Cc2ccc(F)cc2)C(C)(C)C1 ZINC000537226577 459364740 /nfs/dbraw/zinc/36/47/40/459364740.db2.gz ZZNILHIWUFNMAZ-UHFFFAOYSA-N 1 2 330.447 3.146 20 30 EGEDLO CC(C)(C)C(=O)N1CC[N@@H+](CC#Cc2ccc(F)cc2)C(C)(C)C1 ZINC000537226577 459364745 /nfs/dbraw/zinc/36/47/45/459364745.db2.gz ZZNILHIWUFNMAZ-UHFFFAOYSA-N 1 2 330.447 3.146 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)N(Cc2ccco2)c2ccccc2)C1 ZINC000595609558 459364950 /nfs/dbraw/zinc/36/49/50/459364950.db2.gz MDZQEXRIRSWGPA-QGZVFWFLSA-N 1 2 337.423 3.438 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](CC(=O)N(Cc2ccco2)c2ccccc2)C1 ZINC000595609558 459364955 /nfs/dbraw/zinc/36/49/55/459364955.db2.gz MDZQEXRIRSWGPA-QGZVFWFLSA-N 1 2 337.423 3.438 20 30 EGEDLO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595613192 459369084 /nfs/dbraw/zinc/36/90/84/459369084.db2.gz AQLWFRFWTNAEPR-ZDUSSCGKSA-N 1 2 335.835 3.221 20 30 EGEDLO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595613192 459369087 /nfs/dbraw/zinc/36/90/87/459369087.db2.gz AQLWFRFWTNAEPR-ZDUSSCGKSA-N 1 2 335.835 3.221 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000595784610 459438795 /nfs/dbraw/zinc/43/87/95/459438795.db2.gz SXBZSKXKSZWMTK-OALUTQOASA-N 1 2 342.439 3.053 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000569501278 459462925 /nfs/dbraw/zinc/46/29/25/459462925.db2.gz NRJKSKWELOPIOW-MRXNPFEDSA-N 1 2 349.438 3.186 20 30 EGEDLO Cn1nc(C(F)(F)F)cc1CNc1[nH+]cccc1OCCCC#N ZINC000596025245 459496763 /nfs/dbraw/zinc/49/67/63/459496763.db2.gz SFBGQAXKMBFAJF-UHFFFAOYSA-N 1 2 339.321 3.129 20 30 EGEDLO C=C(C)CN(Cc1ccccc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000525914954 459515247 /nfs/dbraw/zinc/51/52/47/459515247.db2.gz PCPYEUIVCMONTL-UHFFFAOYSA-N 1 2 326.444 3.451 20 30 EGEDLO N#Cc1ccc(C[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)nc1 ZINC000562294726 459532624 /nfs/dbraw/zinc/53/26/24/459532624.db2.gz KTOCADHFCBUVTJ-FQEVSTJZSA-N 1 2 342.402 3.423 20 30 EGEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2Br)CC2(CCC2)O1 ZINC000592186656 459545947 /nfs/dbraw/zinc/54/59/47/459545947.db2.gz GQQIGSCNCSJNCR-LBPRGKRZSA-N 1 2 335.245 3.464 20 30 EGEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)CC2(CCC2)O1 ZINC000592186656 459545953 /nfs/dbraw/zinc/54/59/53/459545953.db2.gz GQQIGSCNCSJNCR-LBPRGKRZSA-N 1 2 335.245 3.464 20 30 EGEDLO N#CCC[C@H](C#N)C[NH2+][C@H]1COc2cc(F)c(Br)cc21 ZINC000583576206 459561891 /nfs/dbraw/zinc/56/18/91/459561891.db2.gz HRYHJKZOGAHNAV-RNCFNFMXSA-N 1 2 338.180 3.055 20 30 EGEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000572579437 459581564 /nfs/dbraw/zinc/58/15/64/459581564.db2.gz LVZLJKUKBUDRPE-PBHICJAKSA-N 1 2 335.411 3.158 20 30 EGEDLO CC[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C ZINC000592377215 459586043 /nfs/dbraw/zinc/58/60/43/459586043.db2.gz RADZVKOTTWKCEE-SFHVURJKSA-N 1 2 343.471 3.237 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@H]2CCc3ccc(Cl)cc32)n1 ZINC000491284888 459612526 /nfs/dbraw/zinc/61/25/26/459612526.db2.gz ANJOBPXONLGASP-IBGZPJMESA-N 1 2 343.858 3.306 20 30 EGEDLO C#CCn1ccc(C[N@H+](CCOC)[C@H]2CCc3ccc(Cl)cc32)n1 ZINC000491284888 459612529 /nfs/dbraw/zinc/61/25/29/459612529.db2.gz ANJOBPXONLGASP-IBGZPJMESA-N 1 2 343.858 3.306 20 30 EGEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc(CSC2CCCC2)c1 ZINC000573199958 459640432 /nfs/dbraw/zinc/64/04/32/459640432.db2.gz PSZLWVZEQJIICA-GOSISDBHSA-N 1 2 347.528 3.481 20 30 EGEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(CSC2CCCC2)c1 ZINC000573199958 459640437 /nfs/dbraw/zinc/64/04/37/459640437.db2.gz PSZLWVZEQJIICA-GOSISDBHSA-N 1 2 347.528 3.481 20 30 EGEDLO CC[C@H](C)[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CC(=O)OC ZINC000499801484 459654792 /nfs/dbraw/zinc/65/47/92/459654792.db2.gz VFPQVHWIDBFNSH-ZDUSSCGKSA-N 1 2 343.345 3.210 20 30 EGEDLO CC[C@H](C)[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CC(=O)OC ZINC000499801484 459654794 /nfs/dbraw/zinc/65/47/94/459654794.db2.gz VFPQVHWIDBFNSH-ZDUSSCGKSA-N 1 2 343.345 3.210 20 30 EGEDLO C[C@@H](c1c(F)cccc1F)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000584149616 459664875 /nfs/dbraw/zinc/66/48/75/459664875.db2.gz YLMLAOUXRAJPHK-ZDUSSCGKSA-N 1 2 328.366 3.115 20 30 EGEDLO C#C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000491750716 459666993 /nfs/dbraw/zinc/66/69/93/459666993.db2.gz VMCLGHZIZBKSIH-LJQANCHMSA-N 1 2 333.366 3.175 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2c(C)oc3ccccc32)n1 ZINC000491778333 459672002 /nfs/dbraw/zinc/67/20/02/459672002.db2.gz IMGMEXXTWBLUEA-UHFFFAOYSA-N 1 2 337.423 3.220 20 30 EGEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2c(C)oc3ccccc32)n1 ZINC000491778333 459672007 /nfs/dbraw/zinc/67/20/07/459672007.db2.gz IMGMEXXTWBLUEA-UHFFFAOYSA-N 1 2 337.423 3.220 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCc1csc2ccccc12 ZINC000563220568 459741985 /nfs/dbraw/zinc/74/19/85/459741985.db2.gz RCCLILRXRNVFLA-GOSISDBHSA-N 1 2 329.469 3.184 20 30 EGEDLO CC1(C)CCCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)[C@H]1C#N ZINC000573943543 459761294 /nfs/dbraw/zinc/76/12/94/459761294.db2.gz HKULMDRCGAQMEL-IRXDYDNUSA-N 1 2 336.439 3.472 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](CC(=O)N[C@@H](C#N)C1CCCCC1)C(F)(F)F ZINC000563381563 459765084 /nfs/dbraw/zinc/76/50/84/459765084.db2.gz QNRCZPIVRXZSBW-OLZOCXBDSA-N 1 2 342.365 3.045 20 30 EGEDLO N#CC1(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)CCC1 ZINC000564776005 459776566 /nfs/dbraw/zinc/77/65/66/459776566.db2.gz QUSYHBFGJQTXHP-QGZVFWFLSA-N 1 2 339.439 3.108 20 30 EGEDLO N#CC1(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)CCC1 ZINC000564776005 459776570 /nfs/dbraw/zinc/77/65/70/459776570.db2.gz QUSYHBFGJQTXHP-QGZVFWFLSA-N 1 2 339.439 3.108 20 30 EGEDLO C[C@@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccccc1C(F)(F)F ZINC000565050596 459780918 /nfs/dbraw/zinc/78/09/18/459780918.db2.gz HBDOZEFJRBSPJS-BLLLJJGKSA-N 1 2 341.377 3.159 20 30 EGEDLO C=CCOc1cccc(C[NH2+][C@H](C(=O)OC)[C@@H]2CCC[C@H](OC)C2)c1 ZINC000566352599 459848651 /nfs/dbraw/zinc/84/86/51/459848651.db2.gz UKIHGNUCTQCRBS-AOIWGVFYSA-N 1 2 347.455 3.088 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000597178238 459863588 /nfs/dbraw/zinc/86/35/88/459863588.db2.gz BRITZCLALNWTKP-ZIAGYGMSSA-N 1 2 340.452 3.336 20 30 EGEDLO Cc1[nH]c2ccc(NC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)cc2[nH+]1 ZINC000609101683 459905138 /nfs/dbraw/zinc/90/51/38/459905138.db2.gz XKFZETACLQJVLW-LJQANCHMSA-N 1 2 345.406 3.351 20 30 EGEDLO CCC(CC)CN(CCC#N)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000609188736 459920343 /nfs/dbraw/zinc/92/03/43/459920343.db2.gz VZHDKJLLASERAX-UHFFFAOYSA-N 1 2 326.444 3.364 20 30 EGEDLO N#CCCCCCC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000588165702 459924919 /nfs/dbraw/zinc/92/49/19/459924919.db2.gz GORGTOGHYNPWCR-UHFFFAOYSA-N 1 2 328.460 3.399 20 30 EGEDLO N#C[C@H](NC(=O)CCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000609460289 459965638 /nfs/dbraw/zinc/96/56/38/459965638.db2.gz PPNFIFVBHBUAGO-AWEZNQCLSA-N 1 2 336.317 3.063 20 30 EGEDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000609890533 460036007 /nfs/dbraw/zinc/03/60/07/460036007.db2.gz DPUFSLAUTRRPSA-AWEZNQCLSA-N 1 2 349.463 3.446 20 30 EGEDLO C[N@H+](Cc1ccc(I)s1)CC(C)(C)C#N ZINC000602676092 460060003 /nfs/dbraw/zinc/06/00/03/460060003.db2.gz QXASXEBXMTVVSE-UHFFFAOYSA-N 1 2 334.226 3.334 20 30 EGEDLO C[N@@H+](Cc1ccc(I)s1)CC(C)(C)C#N ZINC000602676092 460060012 /nfs/dbraw/zinc/06/00/12/460060012.db2.gz QXASXEBXMTVVSE-UHFFFAOYSA-N 1 2 334.226 3.334 20 30 EGEDLO C=CCC[C@H]([NH2+][C@H]1CCc2cc(OC)c(OC)cc21)C(=O)OCC ZINC000602681325 460063055 /nfs/dbraw/zinc/06/30/55/460063055.db2.gz OLMCTMSQXBPWRZ-HOTGVXAUSA-N 1 2 333.428 3.179 20 30 EGEDLO C=CC[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000597997988 460141013 /nfs/dbraw/zinc/14/10/13/460141013.db2.gz KNVRXDKQFFNFSD-CQSZACIVSA-N 1 2 340.383 3.209 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000594216872 460155748 /nfs/dbraw/zinc/15/57/48/460155748.db2.gz WOURSXDFEADGLF-OAHLLOKOSA-N 1 2 346.434 3.211 20 30 EGEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000602862849 460163694 /nfs/dbraw/zinc/16/36/94/460163694.db2.gz MHJQJCACGKFAEY-MGPUTAFESA-N 1 2 339.414 3.265 20 30 EGEDLO COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH2+][C@H](C)CC#N)ccc2c1 ZINC000602861143 460163825 /nfs/dbraw/zinc/16/38/25/460163825.db2.gz GBVRJMFDFMPUJG-CABCVRRESA-N 1 2 339.439 3.087 20 30 EGEDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000610541533 460178586 /nfs/dbraw/zinc/17/85/86/460178586.db2.gz JOQRYJKRWDFHCX-CQSZACIVSA-N 1 2 349.463 3.446 20 30 EGEDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000610541532 460178769 /nfs/dbraw/zinc/17/87/69/460178769.db2.gz JOQRYJKRWDFHCX-AWEZNQCLSA-N 1 2 349.463 3.446 20 30 EGEDLO COCCOCc1cc(C#N)ccc1NCCCc1cccc(C)[nH+]1 ZINC000603374712 460292775 /nfs/dbraw/zinc/29/27/75/460292775.db2.gz MUXRSXUJAVIOLE-UHFFFAOYSA-N 1 2 339.439 3.469 20 30 EGEDLO N#CCCN1CC[NH+](Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000611175088 460301680 /nfs/dbraw/zinc/30/16/80/460301680.db2.gz WQNQOQYOTPOZED-UHFFFAOYSA-N 1 2 330.819 3.026 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000611177141 460301738 /nfs/dbraw/zinc/30/17/38/460301738.db2.gz ZAPYYMYFSONESP-MWLCHTKSSA-N 1 2 345.752 3.423 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000611177141 460301740 /nfs/dbraw/zinc/30/17/40/460301740.db2.gz ZAPYYMYFSONESP-MWLCHTKSSA-N 1 2 345.752 3.423 20 30 EGEDLO N#CCCN1CC[NH+]([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000611281937 460328321 /nfs/dbraw/zinc/32/83/21/460328321.db2.gz QOIBBJBKMHRNJC-KRWDZBQOSA-N 1 2 348.288 3.358 20 30 EGEDLO N#Cc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000619765886 460438177 /nfs/dbraw/zinc/43/81/77/460438177.db2.gz JFHSCDGUOLCQDI-UHFFFAOYSA-N 1 2 336.782 3.327 20 30 EGEDLO N#Cc1cc(F)c(NCc2cc[nH+]c(N3CCSCC3)c2)c(F)c1 ZINC000601241049 460763556 /nfs/dbraw/zinc/76/35/56/460763556.db2.gz VWGUXTJRGNVPSW-UHFFFAOYSA-N 1 2 346.406 3.397 20 30 EGEDLO C=CCCC(C)(C)NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000637679702 461660809 /nfs/dbraw/zinc/66/08/09/461660809.db2.gz IPAQNHBLKAEIMN-UHFFFAOYSA-N 1 2 348.516 3.179 20 30 EGEDLO C=CCCn1cc(C[N@H+]2CCC[C@H]2c2ccc(OC)c(OC)c2)nn1 ZINC000653481534 461666500 /nfs/dbraw/zinc/66/65/00/461666500.db2.gz LLZVNWIHRPOULG-KRWDZBQOSA-N 1 2 342.443 3.209 20 30 EGEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H]2c2ccc(OC)c(OC)c2)nn1 ZINC000653481534 461666504 /nfs/dbraw/zinc/66/65/04/461666504.db2.gz LLZVNWIHRPOULG-KRWDZBQOSA-N 1 2 342.443 3.209 20 30 EGEDLO C=CCCn1cc(C[N@@H+](C)[C@@H]2CCCc3nc(CC)sc32)nn1 ZINC000653584899 461740469 /nfs/dbraw/zinc/74/04/69/461740469.db2.gz SEDCUYJJRQIVGR-OAHLLOKOSA-N 1 2 331.489 3.383 20 30 EGEDLO C=CCCn1cc(C[N@H+](C)[C@@H]2CCCc3nc(CC)sc32)nn1 ZINC000653584899 461740476 /nfs/dbraw/zinc/74/04/76/461740476.db2.gz SEDCUYJJRQIVGR-OAHLLOKOSA-N 1 2 331.489 3.383 20 30 EGEDLO C=CCCn1cc(CNc2[nH+]c3cc(Cl)ccc3n2CC)nn1 ZINC000656771845 461885209 /nfs/dbraw/zinc/88/52/09/461885209.db2.gz GUSPSIMYSVNBLU-UHFFFAOYSA-N 1 2 330.823 3.489 20 30 EGEDLO C=CCCc1ccccc1NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000667028809 461919492 /nfs/dbraw/zinc/91/94/92/461919492.db2.gz GQLTTXCDSNWPSW-HZPDHXFCSA-N 1 2 331.460 3.036 20 30 EGEDLO C=CCCc1ccccc1NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000667028809 461919498 /nfs/dbraw/zinc/91/94/98/461919498.db2.gz GQLTTXCDSNWPSW-HZPDHXFCSA-N 1 2 331.460 3.036 20 30 EGEDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c(C)n1CC(F)(F)F ZINC000661150887 462125290 /nfs/dbraw/zinc/12/52/90/462125290.db2.gz VINIALJXCLUZRA-AWEZNQCLSA-N 1 2 341.377 3.476 20 30 EGEDLO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c(C)n1CC(F)(F)F ZINC000661150887 462125293 /nfs/dbraw/zinc/12/52/93/462125293.db2.gz VINIALJXCLUZRA-AWEZNQCLSA-N 1 2 341.377 3.476 20 30 EGEDLO C=CC[N@H+](CC(=O)c1cc(C)n(-c2nccs2)c1C)[C@@H](C)COC ZINC000661242498 462167291 /nfs/dbraw/zinc/16/72/91/462167291.db2.gz BIKRBDYYAHILRX-AWEZNQCLSA-N 1 2 347.484 3.256 20 30 EGEDLO C=CC[N@@H+](CC(=O)c1cc(C)n(-c2nccs2)c1C)[C@@H](C)COC ZINC000661242498 462167295 /nfs/dbraw/zinc/16/72/95/462167295.db2.gz BIKRBDYYAHILRX-AWEZNQCLSA-N 1 2 347.484 3.256 20 30 EGEDLO C=CC[N@@H+](Cc1nc2cc(S(=O)(=O)CC)ccc2o1)C(C)(C)C ZINC000661756653 462399029 /nfs/dbraw/zinc/39/90/29/462399029.db2.gz VEOAQZNSIUUIFG-UHFFFAOYSA-N 1 2 336.457 3.408 20 30 EGEDLO C=CC[N@H+](Cc1nc2cc(S(=O)(=O)CC)ccc2o1)C(C)(C)C ZINC000661756653 462399034 /nfs/dbraw/zinc/39/90/34/462399034.db2.gz VEOAQZNSIUUIFG-UHFFFAOYSA-N 1 2 336.457 3.408 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000042979147 519828919 /nfs/dbraw/zinc/82/89/19/519828919.db2.gz CMWMEMRVEMVMOA-FQEVSTJZSA-N 1 2 339.439 3.336 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000042979147 519828920 /nfs/dbraw/zinc/82/89/20/519828920.db2.gz CMWMEMRVEMVMOA-FQEVSTJZSA-N 1 2 339.439 3.336 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(-c2ccc(F)cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000179528357 526333047 /nfs/dbraw/zinc/33/30/47/526333047.db2.gz LFZPIHFIBQGQMA-INIZCTEOSA-N 1 2 349.427 3.261 20 30 EGEDLO C=CC[N@H+](Cc1ccc(-c2ccc(F)cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000179528357 526333056 /nfs/dbraw/zinc/33/30/56/526333056.db2.gz LFZPIHFIBQGQMA-INIZCTEOSA-N 1 2 349.427 3.261 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000158439929 526884516 /nfs/dbraw/zinc/88/45/16/526884516.db2.gz LYUGXBHIHONZDP-GFCCVEGCSA-N 1 2 348.830 3.053 20 30 EGEDLO COc1ccc(F)c(N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)c1 ZINC000361737374 536601121 /nfs/dbraw/zinc/60/11/21/536601121.db2.gz YJJWHVBZTKAZPL-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000186312970 547126671 /nfs/dbraw/zinc/12/66/71/547126671.db2.gz LHCLISAUQOZNKR-HXUWFJFHSA-N 1 2 334.419 3.341 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000186312970 547126676 /nfs/dbraw/zinc/12/66/76/547126676.db2.gz LHCLISAUQOZNKR-HXUWFJFHSA-N 1 2 334.419 3.341 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CCCO[C@@H]1C)C1CCOCC1 ZINC000329110584 547490332 /nfs/dbraw/zinc/49/03/32/547490332.db2.gz GKJGDRGSHMOZEZ-FVQBIDKESA-N 1 2 335.448 3.142 20 30 EGEDLO CC1(C)CC[C@H](CNC(=O)N2CCn3c[nH+]cc3C2)c2ccccc21 ZINC000329636249 547502488 /nfs/dbraw/zinc/50/24/88/547502488.db2.gz YAQAXHUNWHFQCR-OAHLLOKOSA-N 1 2 338.455 3.468 20 30 EGEDLO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000333576739 547538424 /nfs/dbraw/zinc/53/84/24/547538424.db2.gz JLCWZXSICHWENA-APHBMKBZSA-N 1 2 349.381 3.065 20 30 EGEDLO N#Cc1ccc(NC(=S)NCCCCn2cc[nH+]c2)cc1Cl ZINC000726472814 574559456 /nfs/dbraw/zinc/55/94/56/574559456.db2.gz GYFHRWIMLCIFRS-UHFFFAOYSA-N 1 2 333.848 3.175 20 30 EGEDLO COc1ccc(NC(=S)N[NH+]=C(C)c2ccc(N)cc2)cc1F ZINC000727261413 574656953 /nfs/dbraw/zinc/65/69/53/574656953.db2.gz GBHDMALJJDWTBM-UHFFFAOYSA-N 1 2 332.404 3.127 20 30 EGEDLO CCN(CC)c1ncc(C=[NH+][N-]c2cc[nH+]c3ccccc23)s1 ZINC000730147166 574925409 /nfs/dbraw/zinc/92/54/09/574925409.db2.gz LNHSAGWDJGGOAF-UHFFFAOYSA-N 1 2 325.441 3.405 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000730591795 575003835 /nfs/dbraw/zinc/00/38/35/575003835.db2.gz JYYYERJZVNTHNA-PBHICJAKSA-N 1 2 339.464 3.085 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000730591795 575003839 /nfs/dbraw/zinc/00/38/39/575003839.db2.gz JYYYERJZVNTHNA-PBHICJAKSA-N 1 2 339.464 3.085 20 30 EGEDLO C#CCOc1cccc([C@H](C)OC(=O)Cc2cn3ccccc3[nH+]2)c1 ZINC000730699700 575011891 /nfs/dbraw/zinc/01/18/91/575011891.db2.gz JZZPBMDLSPKVHS-HNNXBMFYSA-N 1 2 334.375 3.193 20 30 EGEDLO CCN(CC)c1ncc(C=[NH+]Nc2cnnc3ccccc32)s1 ZINC000733750117 575388120 /nfs/dbraw/zinc/38/81/20/575388120.db2.gz MPLQGGCPXWUCAR-UHFFFAOYSA-N 1 2 326.429 3.379 20 30 EGEDLO COc1nc(N(C)C)sc1C=[NH+]Nc1cc(F)c(F)cc1F ZINC000734302463 575464037 /nfs/dbraw/zinc/46/40/37/575464037.db2.gz DZMRCESWHBNPEB-UHFFFAOYSA-N 1 2 330.335 3.081 20 30 EGEDLO C=CC[C@@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccncc1 ZINC000734683840 575536905 /nfs/dbraw/zinc/53/69/05/575536905.db2.gz QUHXMYZREAWOKX-HZPDHXFCSA-N 1 2 325.416 3.011 20 30 EGEDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCCOc1ccc(C#N)cc1 ZINC000736311265 575932581 /nfs/dbraw/zinc/93/25/81/575932581.db2.gz GZYIGSKGVJDFKC-LJQANCHMSA-N 1 2 338.407 3.173 20 30 EGEDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000736311265 575932584 /nfs/dbraw/zinc/93/25/84/575932584.db2.gz GZYIGSKGVJDFKC-LJQANCHMSA-N 1 2 338.407 3.173 20 30 EGEDLO Clc1ccc2[nH+]cc(CN=Nc3nc(-c4ccccc4)no3)n2c1 ZINC000737435096 576228927 /nfs/dbraw/zinc/22/89/27/576228927.db2.gz TXHKUBYIYCIXAL-UHFFFAOYSA-N 1 2 338.758 3.484 20 30 EGEDLO C=CCn1c2ccccc2n(C[N@H+](CC)CCC(=O)OC)c1=S ZINC000738099936 576288606 /nfs/dbraw/zinc/28/86/06/576288606.db2.gz RFCKJQCJFQBSLE-UHFFFAOYSA-N 1 2 333.457 3.201 20 30 EGEDLO C=CCn1c2ccccc2n(C[N@@H+](CC)CCC(=O)OC)c1=S ZINC000738099936 576288611 /nfs/dbraw/zinc/28/86/11/576288611.db2.gz RFCKJQCJFQBSLE-UHFFFAOYSA-N 1 2 333.457 3.201 20 30 EGEDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000744129369 576821060 /nfs/dbraw/zinc/82/10/60/576821060.db2.gz QKCNMOJLOGHRKV-UHFFFAOYSA-N 1 2 347.378 3.419 20 30 EGEDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000744129369 576821061 /nfs/dbraw/zinc/82/10/61/576821061.db2.gz QKCNMOJLOGHRKV-UHFFFAOYSA-N 1 2 347.378 3.419 20 30 EGEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000820219465 607086551 /nfs/dbraw/zinc/08/65/51/607086551.db2.gz GWJSPMNDCYGIEZ-CQSZACIVSA-N 1 2 332.411 3.268 20 30 EGEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000820219465 607086552 /nfs/dbraw/zinc/08/65/52/607086552.db2.gz GWJSPMNDCYGIEZ-CQSZACIVSA-N 1 2 332.411 3.268 20 30 EGEDLO COc1ccc(C(N)=[NH+]OCc2cccc(Br)c2)cc1 ZINC000048610534 1291613049 /nfs/dbraw/zinc/61/30/49/1291613049.db2.gz YLTIFCOEFQDQHI-UHFFFAOYSA-N 1 2 335.201 3.295 20 30 EGEDLO C[C@@H](NC(=O)CO[NH+]=C(N)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000072001874 1292272630 /nfs/dbraw/zinc/27/26/30/1292272630.db2.gz MOJQFORZUUWGFZ-CYBMUJFWSA-N 1 2 345.830 3.049 20 30 EGEDLO Cc1cc(C)c(NC(=O)[C@H](C)O[NH+]=C(N)Cc2ccccc2)c(C)c1 ZINC000072001878 1292273041 /nfs/dbraw/zinc/27/30/41/1292273041.db2.gz ILPIVGMCLKZGJI-INIZCTEOSA-N 1 2 339.439 3.470 20 30 EGEDLO COc1ccc(-c2nc(CO[NH+]=C(N)Cc3ccccc3)co2)cc1 ZINC000072001871 1292273302 /nfs/dbraw/zinc/27/33/02/1292273302.db2.gz NSBVOYZLJKOOCW-UHFFFAOYSA-N 1 2 337.379 3.382 20 30 EGEDLO COC(=O)C1(C#N)CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000828970353 1292524210 /nfs/dbraw/zinc/52/42/10/1292524210.db2.gz WAXZWZMELCMKPJ-UHFFFAOYSA-N 1 2 330.432 3.007 20 30 EGEDLO CSc1ccc2cc(C[N@@H+]3CC[C@@](O)(CC#N)C3)c(Cl)nc2c1 ZINC000829976081 1292650081 /nfs/dbraw/zinc/65/00/81/1292650081.db2.gz VZTLURXSSINCDU-KRWDZBQOSA-N 1 2 347.871 3.461 20 30 EGEDLO CSc1ccc2cc(C[N@H+]3CC[C@@](O)(CC#N)C3)c(Cl)nc2c1 ZINC000829976081 1292650088 /nfs/dbraw/zinc/65/00/88/1292650088.db2.gz VZTLURXSSINCDU-KRWDZBQOSA-N 1 2 347.871 3.461 20 30 EGEDLO C#CC1CC[NH+](CC(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000830342870 1292709359 /nfs/dbraw/zinc/70/93/59/1292709359.db2.gz FRNZLRBMYDCOER-UHFFFAOYSA-N 1 2 331.466 3.155 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@@H]2C1 ZINC000832597696 1293025472 /nfs/dbraw/zinc/02/54/72/1293025472.db2.gz WOFZZBZZZALXQG-WMLDXEAASA-N 1 2 345.418 3.139 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@@H]2C1 ZINC000832597696 1293025483 /nfs/dbraw/zinc/02/54/83/1293025483.db2.gz WOFZZBZZZALXQG-WMLDXEAASA-N 1 2 345.418 3.139 20 30 EGEDLO COC(=O)c1ccc(N[NH+]=Cc2ccc(N(C)C(C)C)nc2)cc1F ZINC000835019006 1293189295 /nfs/dbraw/zinc/18/92/95/1293189295.db2.gz ZXAUVFGEECPFHZ-UHFFFAOYSA-N 1 2 344.390 3.298 20 30 EGEDLO CC(C)c1ccccc1NC(=O)CO[NH+]=C(N)Cc1ccccc1 ZINC000120358331 1293317571 /nfs/dbraw/zinc/31/75/71/1293317571.db2.gz ORISDHGTOROPID-UHFFFAOYSA-N 1 2 325.412 3.280 20 30 EGEDLO C=CC[N@@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000121203531 1293360056 /nfs/dbraw/zinc/36/00/56/1293360056.db2.gz UZARQUAYUDMEKV-UHFFFAOYSA-N 1 2 341.386 3.134 20 30 EGEDLO C=CC[N@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000121203531 1293360065 /nfs/dbraw/zinc/36/00/65/1293360065.db2.gz UZARQUAYUDMEKV-UHFFFAOYSA-N 1 2 341.386 3.134 20 30 EGEDLO Cc1cccn2c(/C=C/C(=O)c3ccc(N4CCOCC4)cc3)c[nH+]c12 ZINC000125230430 1293500494 /nfs/dbraw/zinc/50/04/94/1293500494.db2.gz YMZDSSSGZSRXPT-CMDGGOBGSA-N 1 2 347.418 3.375 20 30 EGEDLO COc1ccc(C(N)=[NH+]OCc2ncc(-c3ccccc3F)o2)cc1 ZINC000154501856 1294058651 /nfs/dbraw/zinc/05/86/51/1294058651.db2.gz YYDYRJHCQIONAF-UHFFFAOYSA-N 1 2 341.342 3.326 20 30 EGEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc(N2CCOC2=O)cc1 ZINC000180312930 1294877643 /nfs/dbraw/zinc/87/76/43/1294877643.db2.gz HILIGPFDZYHEEY-CMDGGOBGSA-N 1 2 333.347 3.187 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000247481491 1296393995 /nfs/dbraw/zinc/39/39/95/1296393995.db2.gz FQJUIOFFDGFXSU-HLIPFELVSA-N 1 2 328.456 3.038 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000247481491 1296394009 /nfs/dbraw/zinc/39/40/09/1296394009.db2.gz FQJUIOFFDGFXSU-HLIPFELVSA-N 1 2 328.456 3.038 20 30 EGEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1cccc(N2CCOC2=O)c1 ZINC000255208244 1296511124 /nfs/dbraw/zinc/51/11/24/1296511124.db2.gz SHNGXVLVTIEHOP-FPLPWBNLSA-N 1 2 333.347 3.187 20 30 EGEDLO COc1ccc2c(c1)C(=NNc1cc(C)[nH+]c(N)n1)CCCS2 ZINC000872421492 1296952032 /nfs/dbraw/zinc/95/20/32/1296952032.db2.gz MDLWPXOYQXRZQR-UHFFFAOYSA-N 1 2 329.429 3.078 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](Cc2ccccc2)CC1=O ZINC000872561522 1297004039 /nfs/dbraw/zinc/00/40/39/1297004039.db2.gz GEWYKJJAWZQRJB-FQEVSTJZSA-N 1 2 333.435 3.039 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](Cc2ccccc2)CC1=O ZINC000872561522 1297004054 /nfs/dbraw/zinc/00/40/54/1297004054.db2.gz GEWYKJJAWZQRJB-FQEVSTJZSA-N 1 2 333.435 3.039 20 30 EGEDLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)NCCCCC#N)CC1 ZINC000872876122 1297151331 /nfs/dbraw/zinc/15/13/31/1297151331.db2.gz NEGSXJDNQOPBGO-GOSISDBHSA-N 1 2 346.450 3.298 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](C)CCC2CC2)c1=S ZINC000746627977 1298627478 /nfs/dbraw/zinc/62/74/78/1298627478.db2.gz RGNMUQGVDCPYIL-UHFFFAOYSA-N 1 2 329.473 3.351 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](C)CCC2CC2)c1=S ZINC000746627977 1298627486 /nfs/dbraw/zinc/62/74/86/1298627486.db2.gz RGNMUQGVDCPYIL-UHFFFAOYSA-N 1 2 329.473 3.351 20 30 EGEDLO C=CC[N@@H+](CCS(=O)(=O)c1cccc(Br)c1)C(C)C ZINC000750817471 1299458131 /nfs/dbraw/zinc/45/81/31/1299458131.db2.gz NLRXQXYYDNTBAJ-UHFFFAOYSA-N 1 2 346.290 3.119 20 30 EGEDLO C=CC[N@H+](CCS(=O)(=O)c1cccc(Br)c1)C(C)C ZINC000750817471 1299458132 /nfs/dbraw/zinc/45/81/32/1299458132.db2.gz NLRXQXYYDNTBAJ-UHFFFAOYSA-N 1 2 346.290 3.119 20 30 EGEDLO Cc1cc(F)ccc1N[NH+]=Cc1c(Cl)nc(N)nc1N1CCCC1 ZINC000750938396 1299481409 /nfs/dbraw/zinc/48/14/09/1299481409.db2.gz GVXSCUKPWWDOTI-UHFFFAOYSA-N 1 2 348.813 3.206 20 30 EGEDLO C[C@@H]1C[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)Cc2ccccc21 ZINC000751469403 1299553948 /nfs/dbraw/zinc/55/39/48/1299553948.db2.gz YGPNPTOECGFXQO-DYVFJYSZSA-N 1 2 337.448 3.344 20 30 EGEDLO C[C@@H]1C[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)Cc2ccccc21 ZINC000751469403 1299553955 /nfs/dbraw/zinc/55/39/55/1299553955.db2.gz YGPNPTOECGFXQO-DYVFJYSZSA-N 1 2 337.448 3.344 20 30 EGEDLO CO[C@H](C)c1nc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cs1 ZINC000752267037 1299716220 /nfs/dbraw/zinc/71/62/20/1299716220.db2.gz VIYPSWUTCJWHAK-CHWSQXEVSA-N 1 2 331.441 3.431 20 30 EGEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCOCC12CCCC2)c1ccccc1 ZINC000878322438 1299917031 /nfs/dbraw/zinc/91/70/31/1299917031.db2.gz HVJRMNPHNIWBLB-HXUWFJFHSA-N 1 2 326.440 3.072 20 30 EGEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCOCC12CCCC2)c1ccccc1 ZINC000878322438 1299917035 /nfs/dbraw/zinc/91/70/35/1299917035.db2.gz HVJRMNPHNIWBLB-HXUWFJFHSA-N 1 2 326.440 3.072 20 30 EGEDLO CC(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1ccc(Cl)c(Cl)c1O ZINC000753937814 1300046495 /nfs/dbraw/zinc/04/64/95/1300046495.db2.gz HNQPMQDGYXPLNO-TXEJJXNPSA-N 1 2 341.242 3.283 20 30 EGEDLO CC(C)c1[nH+]c(C=NN2C(=O)c3ccccc3C2=O)c2ccccn21 ZINC000755467634 1300343269 /nfs/dbraw/zinc/34/32/69/1300343269.db2.gz KWDZDXCSKCTDDB-UHFFFAOYSA-N 1 2 332.363 3.088 20 30 EGEDLO Oc1ccc(C=Nc2cccc3c2CN(c2cccc[nH+]2)C3)c(O)c1O ZINC000756848234 1300576538 /nfs/dbraw/zinc/57/65/38/1300576538.db2.gz YZFFVSGIRXSYLD-UHFFFAOYSA-N 1 2 347.374 3.469 20 30 EGEDLO Cc1ccn(C[N@H+]2CCS[C@H](C)[C@@H]2c2ccccc2)c(=O)c1C#N ZINC000758222197 1300818573 /nfs/dbraw/zinc/81/85/73/1300818573.db2.gz ICTWCIPNTQFRMC-CRAIPNDOSA-N 1 2 339.464 3.165 20 30 EGEDLO Cc1ccn(C[N@@H+]2CCS[C@H](C)[C@@H]2c2ccccc2)c(=O)c1C#N ZINC000758222197 1300818583 /nfs/dbraw/zinc/81/85/83/1300818583.db2.gz ICTWCIPNTQFRMC-CRAIPNDOSA-N 1 2 339.464 3.165 20 30 EGEDLO O=C(/C=C/c1c[nH+]c2ccc(Cl)cn12)c1cn(-c2ccccc2)nn1 ZINC000759119845 1301017330 /nfs/dbraw/zinc/01/73/30/1301017330.db2.gz DLLJCQSGDZMTKN-BQYQJAHWSA-N 1 2 349.781 3.465 20 30 EGEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@@H](C3CC3)C2)nc1-c1ccncc1 ZINC000763331250 1301878326 /nfs/dbraw/zinc/87/83/26/1301878326.db2.gz FOXWUACGCRBLLI-MRXNPFEDSA-N 1 2 341.484 3.351 20 30 EGEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@@H](C3CC3)C2)nc1-c1ccncc1 ZINC000763331250 1301878335 /nfs/dbraw/zinc/87/83/35/1301878335.db2.gz FOXWUACGCRBLLI-MRXNPFEDSA-N 1 2 341.484 3.351 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2CCC[C@H]2C(C)C)c1=S ZINC000764913222 1302164666 /nfs/dbraw/zinc/16/46/66/1302164666.db2.gz BVWMKFVXSBEVCX-HNNXBMFYSA-N 1 2 344.488 3.135 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2CCC[C@H]2C(C)C)c1=S ZINC000764913222 1302164671 /nfs/dbraw/zinc/16/46/71/1302164671.db2.gz BVWMKFVXSBEVCX-HNNXBMFYSA-N 1 2 344.488 3.135 20 30 EGEDLO C[C@@H](C#N)Oc1ccc(C[N@H+](C)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000768159215 1302839085 /nfs/dbraw/zinc/83/90/85/1302839085.db2.gz DRSMBJSZLNLPSU-AWEZNQCLSA-N 1 2 348.406 3.258 20 30 EGEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000768159215 1302839096 /nfs/dbraw/zinc/83/90/96/1302839096.db2.gz DRSMBJSZLNLPSU-AWEZNQCLSA-N 1 2 348.406 3.258 20 30 EGEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000769309213 1303089564 /nfs/dbraw/zinc/08/95/64/1303089564.db2.gz SPUMLWCRFPBTSN-FQEVSTJZSA-N 1 2 325.383 3.411 20 30 EGEDLO C#CCOc1ccc(C[N@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000769309213 1303089570 /nfs/dbraw/zinc/08/95/70/1303089570.db2.gz SPUMLWCRFPBTSN-FQEVSTJZSA-N 1 2 325.383 3.411 20 30 EGEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2ccc([C@@H](C)CC)cc2)CC1 ZINC000772115101 1303488331 /nfs/dbraw/zinc/48/83/31/1303488331.db2.gz VONYUXVCNRRSCR-INIZCTEOSA-N 1 2 341.451 3.271 20 30 EGEDLO CCOCCON=C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000774414803 1303807436 /nfs/dbraw/zinc/80/74/36/1303807436.db2.gz KPOZQGZPEOIELT-UHFFFAOYSA-N 1 2 328.815 3.484 20 30 EGEDLO C#C[C@H]([NH2+]Cc1coc(-c2ccc(OCC)cc2)n1)[C@H]1CCCO1 ZINC000775788123 1304037206 /nfs/dbraw/zinc/03/72/06/1304037206.db2.gz CPKSLZLUGXWDPG-ZWKOTPCHSA-N 1 2 326.396 3.011 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1csc(-c2ccccc2OC)n1)[C@H]1CCCO1 ZINC000775801594 1304039399 /nfs/dbraw/zinc/03/93/99/1304039399.db2.gz VOBUPQQEPLXWHZ-NVXWUHKLSA-N 1 2 328.437 3.089 20 30 EGEDLO C[C@@H]1[C@@H](C)[N@H+](Cc2cc(C#N)cs2)CCN1C(=O)OC(C)(C)C ZINC000776692428 1304183514 /nfs/dbraw/zinc/18/35/14/1304183514.db2.gz DALVNKITDQEDAD-CHWSQXEVSA-N 1 2 335.473 3.449 20 30 EGEDLO C[C@@H]1[C@@H](C)[N@@H+](Cc2cc(C#N)cs2)CCN1C(=O)OC(C)(C)C ZINC000776692428 1304183519 /nfs/dbraw/zinc/18/35/19/1304183519.db2.gz DALVNKITDQEDAD-CHWSQXEVSA-N 1 2 335.473 3.449 20 30 EGEDLO C=CCn1nnn(C[N@H+]2CCC[C@H](c3ccc(F)cc3)CC2)c1=S ZINC000777969738 1304375760 /nfs/dbraw/zinc/37/57/60/1304375760.db2.gz KUVBFQCFQBFNTN-AWEZNQCLSA-N 1 2 347.463 3.361 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2CCC[C@H](c3ccc(F)cc3)CC2)c1=S ZINC000777969738 1304375767 /nfs/dbraw/zinc/37/57/67/1304375767.db2.gz KUVBFQCFQBFNTN-AWEZNQCLSA-N 1 2 347.463 3.361 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000779164892 1304537060 /nfs/dbraw/zinc/53/70/60/1304537060.db2.gz VAQYPAPYYDNLPC-AWEZNQCLSA-N 1 2 344.846 3.158 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000779164892 1304537063 /nfs/dbraw/zinc/53/70/63/1304537063.db2.gz VAQYPAPYYDNLPC-AWEZNQCLSA-N 1 2 344.846 3.158 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000779164892 1304537069 /nfs/dbraw/zinc/53/70/69/1304537069.db2.gz VAQYPAPYYDNLPC-AWEZNQCLSA-N 1 2 344.846 3.158 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000779164892 1304537074 /nfs/dbraw/zinc/53/70/74/1304537074.db2.gz VAQYPAPYYDNLPC-AWEZNQCLSA-N 1 2 344.846 3.158 20 30 EGEDLO Cc1[nH]c(-c2cccc(NC(=O)Cc3noc(C)c3C#N)c2)[nH+]c1C ZINC000779501299 1304579203 /nfs/dbraw/zinc/57/92/03/1304579203.db2.gz WSXQDQJGPWWMAN-UHFFFAOYSA-N 1 2 335.367 3.043 20 30 EGEDLO Cc1cnc(CO[NH+]=C(N)c2ccc(Br)cc2)s1 ZINC000782949507 1305027195 /nfs/dbraw/zinc/02/71/95/1305027195.db2.gz WGEZUNOGZVMYHN-UHFFFAOYSA-N 1 2 326.219 3.051 20 30 EGEDLO C[C@@H](O[NH+]=C(N)c1ccc(F)cc1)c1noc(-c2ccccc2)n1 ZINC000789589260 1306188426 /nfs/dbraw/zinc/18/84/26/1306188426.db2.gz RMJGIMZPNJUFNO-LLVKDONJSA-N 1 2 326.331 3.274 20 30 EGEDLO C[C@@H](CC(C)(C)C#N)[NH2+][C@H](CCNC(=O)OC(C)(C)C)C(F)F ZINC000894695818 1309026102 /nfs/dbraw/zinc/02/61/02/1309026102.db2.gz USPKPIXIFOESNM-NWDGAFQWSA-N 1 2 333.423 3.453 20 30 EGEDLO C[C@H]1C[N@H+](Cn2nc(CC#N)n(C)c2=S)CC[C@@H]1c1ccccc1 ZINC000794632572 1309560835 /nfs/dbraw/zinc/56/08/35/1309560835.db2.gz KNYJUSDZNGWETI-HOCLYGCPSA-N 1 2 341.484 3.100 20 30 EGEDLO C[C@H]1C[N@@H+](Cn2nc(CC#N)n(C)c2=S)CC[C@@H]1c1ccccc1 ZINC000794632572 1309560838 /nfs/dbraw/zinc/56/08/38/1309560838.db2.gz KNYJUSDZNGWETI-HOCLYGCPSA-N 1 2 341.484 3.100 20 30 EGEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2cnn(-c3ccccc3)c2)s1 ZINC000794708338 1309579824 /nfs/dbraw/zinc/57/98/24/1309579824.db2.gz RZRDZEXUBYELAE-HJWRWDBZSA-N 1 2 338.436 3.287 20 30 EGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cccc(N2CCC2=O)c1 ZINC000794909302 1309620218 /nfs/dbraw/zinc/62/02/18/1309620218.db2.gz PLBZAQNLGJYKLJ-UHFFFAOYSA-N 1 2 330.391 3.230 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000796035312 1309888941 /nfs/dbraw/zinc/88/89/41/1309888941.db2.gz DTEAKJNJBDSUAI-BEFAXECRSA-N 1 2 349.858 3.122 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000796035312 1309888944 /nfs/dbraw/zinc/88/89/44/1309888944.db2.gz DTEAKJNJBDSUAI-BEFAXECRSA-N 1 2 349.858 3.122 20 30 EGEDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000796705703 1310069469 /nfs/dbraw/zinc/06/94/69/1310069469.db2.gz GLVCEOCXELMGMW-KRWDZBQOSA-N 1 2 333.407 3.186 20 30 EGEDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000796705703 1310069477 /nfs/dbraw/zinc/06/94/77/1310069477.db2.gz GLVCEOCXELMGMW-KRWDZBQOSA-N 1 2 333.407 3.186 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OCC1(C#N)CCCC1 ZINC000796823239 1310094324 /nfs/dbraw/zinc/09/43/24/1310094324.db2.gz KDPUXJQSJWWSCC-UHFFFAOYSA-N 1 2 333.338 3.250 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]C/C=C/c2ccc(F)cc2)C1 ZINC000798274634 1310332768 /nfs/dbraw/zinc/33/27/68/1310332768.db2.gz HUKMBVSJEJUOBB-PQAMPZAHSA-N 1 2 345.418 3.188 20 30 EGEDLO C#CCCCCC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000799424602 1310547642 /nfs/dbraw/zinc/54/76/42/1310547642.db2.gz ALKQPPCQDVDKNB-GOSISDBHSA-N 1 2 342.483 3.312 20 30 EGEDLO C#CCCCCC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000799424602 1310547645 /nfs/dbraw/zinc/54/76/45/1310547645.db2.gz ALKQPPCQDVDKNB-GOSISDBHSA-N 1 2 342.483 3.312 20 30 EGEDLO C[C@@H](C#N)OCC[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000801939362 1316969884 /nfs/dbraw/zinc/96/98/84/1316969884.db2.gz SDNBTWPBMZUSFM-WFASDCNBSA-N 1 2 328.334 3.007 20 30 EGEDLO C[C@@H](C#N)OCC[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000801939362 1316969890 /nfs/dbraw/zinc/96/98/90/1316969890.db2.gz SDNBTWPBMZUSFM-WFASDCNBSA-N 1 2 328.334 3.007 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([NH2+][C@H](C)c2nnc(CC(C)C)o2)C1 ZINC001019232169 1317114195 /nfs/dbraw/zinc/11/41/95/1317114195.db2.gz MHKFXAPMROFLQB-CABCVRRESA-N 1 2 348.491 3.122 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([NH2+][C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC001019232408 1317115629 /nfs/dbraw/zinc/11/56/29/1317115629.db2.gz ZVNPTFXAQAJGCL-KBPBESRZSA-N 1 2 348.491 3.221 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([NH2+]Cc2nc(C3CCCC3)no2)C1 ZINC001019331654 1317173236 /nfs/dbraw/zinc/17/32/36/1317173236.db2.gz AOXAZTOJJLKVAE-KXBFYZLASA-N 1 2 346.475 3.020 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc3c(s2)CCCCC3)C1 ZINC000957355697 1317305709 /nfs/dbraw/zinc/30/57/09/1317305709.db2.gz WQQWAMBRZSALIA-UHFFFAOYSA-N 1 2 330.497 3.187 20 30 EGEDLO N#Cc1ccc([C@@H]([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)C(N)=O)cc1 ZINC000905854189 1318008919 /nfs/dbraw/zinc/00/89/19/1318008919.db2.gz DFAIITLKSPBRNQ-IEBWSBKVSA-N 1 2 347.418 3.121 20 30 EGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccsc2C#N)CC1 ZINC000907410770 1318221657 /nfs/dbraw/zinc/22/16/57/1318221657.db2.gz KTXCEPJYZOLUFT-GFCCVEGCSA-N 1 2 331.466 3.200 20 30 EGEDLO C=CC[N@H+](Cc1ccccc1)CN1C(=O)C(C)(C)[C@H]1[C@H]1CCCO1 ZINC000811731760 1318241717 /nfs/dbraw/zinc/24/17/17/1318241717.db2.gz IWPSHAOXCYXUCS-QZTJIDSGSA-N 1 2 328.456 3.048 20 30 EGEDLO C=CC[N@@H+](Cc1ccccc1)CN1C(=O)C(C)(C)[C@H]1[C@H]1CCCO1 ZINC000811731760 1318241727 /nfs/dbraw/zinc/24/17/27/1318241727.db2.gz IWPSHAOXCYXUCS-QZTJIDSGSA-N 1 2 328.456 3.048 20 30 EGEDLO CC(C)(C#N)CC(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907816582 1318265330 /nfs/dbraw/zinc/26/53/30/1318265330.db2.gz VSLFCYGOQNJOEN-CQSZACIVSA-N 1 2 328.460 3.371 20 30 EGEDLO CC(C)(C#N)CC(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907816582 1318265338 /nfs/dbraw/zinc/26/53/38/1318265338.db2.gz VSLFCYGOQNJOEN-CQSZACIVSA-N 1 2 328.460 3.371 20 30 EGEDLO CC(=[NH+]Nc1cccc([N+](=O)[O-])c1)c1cccc(N2CCOCC2)c1 ZINC000812377187 1318378264 /nfs/dbraw/zinc/37/82/64/1318378264.db2.gz CNEGTCDTTLHTDT-UHFFFAOYSA-N 1 2 340.383 3.268 20 30 EGEDLO C[C@H]1C[C@@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccccc1C#N ZINC000960294959 1318448373 /nfs/dbraw/zinc/44/83/73/1318448373.db2.gz HVLSDVFYEJZKOT-CCARFGRDSA-N 1 2 345.446 3.086 20 30 EGEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2F)s1 ZINC000814190857 1318694367 /nfs/dbraw/zinc/69/43/67/1318694367.db2.gz JZIYGCYZOKVTIW-AATRIKPKSA-N 1 2 335.360 3.148 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cc(C)on1 ZINC000960652950 1318774135 /nfs/dbraw/zinc/77/41/35/1318774135.db2.gz XOFWMPIYZCZSPQ-OAHLLOKOSA-N 1 2 339.867 3.185 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cc(C)on1 ZINC000960652950 1318774139 /nfs/dbraw/zinc/77/41/39/1318774139.db2.gz XOFWMPIYZCZSPQ-OAHLLOKOSA-N 1 2 339.867 3.185 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2ncc(C)o2)CC1 ZINC000960838847 1318973299 /nfs/dbraw/zinc/97/32/99/1318973299.db2.gz MUWJSBADCPTONZ-KRWDZBQOSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2ncc(C)o2)CC1 ZINC000960838847 1318973306 /nfs/dbraw/zinc/97/33/06/1318973306.db2.gz MUWJSBADCPTONZ-KRWDZBQOSA-N 1 2 331.460 3.152 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2N=Cc2cccc(O)c2O)C[C@H](C)O1 ZINC000915981707 1319578946 /nfs/dbraw/zinc/57/89/46/1319578946.db2.gz WAGAQLAKGZDCMT-GASCZTMLSA-N 1 2 340.423 3.458 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccccc2N=Cc2cccc(O)c2O)C[C@H](C)O1 ZINC000915981707 1319578953 /nfs/dbraw/zinc/57/89/53/1319578953.db2.gz WAGAQLAKGZDCMT-GASCZTMLSA-N 1 2 340.423 3.458 20 30 EGEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2ccnc(Cl)c2F)CC1 ZINC000823408449 1320177078 /nfs/dbraw/zinc/17/70/78/1320177078.db2.gz HJEBUPQBVHRVSM-UHFFFAOYSA-N 1 2 344.821 3.458 20 30 EGEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2ccnc(Cl)c2F)CC1 ZINC000823408449 1320177080 /nfs/dbraw/zinc/17/70/80/1320177080.db2.gz HJEBUPQBVHRVSM-UHFFFAOYSA-N 1 2 344.821 3.458 20 30 EGEDLO CCOC(=O)C[N@H+](Cc1ccc(C#N)cc1C)Cc1ccccc1O ZINC000823575899 1320187654 /nfs/dbraw/zinc/18/76/54/1320187654.db2.gz DGWUMYURMWKMHD-UHFFFAOYSA-N 1 2 338.407 3.138 20 30 EGEDLO CCOC(=O)C[N@@H+](Cc1ccc(C#N)cc1C)Cc1ccccc1O ZINC000823575899 1320187655 /nfs/dbraw/zinc/18/76/55/1320187655.db2.gz DGWUMYURMWKMHD-UHFFFAOYSA-N 1 2 338.407 3.138 20 30 EGEDLO CC(C)(C#N)CCCOC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000838100436 1320727862 /nfs/dbraw/zinc/72/78/62/1320727862.db2.gz DTNSTDOJNFYFFX-UHFFFAOYSA-N 1 2 342.355 3.267 20 30 EGEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)C(=O)OC ZINC000839170367 1320883638 /nfs/dbraw/zinc/88/36/38/1320883638.db2.gz ZXCKGFPYLKUONG-PMPSAXMXSA-N 1 2 339.357 3.496 20 30 EGEDLO C[C@@H](CC(=O)OCc1ccc(C#N)cc1Br)n1cc[nH+]c1 ZINC000844545131 1321619291 /nfs/dbraw/zinc/61/92/91/1321619291.db2.gz FGBPUAUCEBZZAH-NSHDSACASA-N 1 2 348.200 3.212 20 30 EGEDLO CC(C)(C)OC(=O)NCC12CC(C1)C[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC000852527458 1323204517 /nfs/dbraw/zinc/20/45/17/1323204517.db2.gz NWRMAEJJSCBNOL-UHFFFAOYSA-N 1 2 345.418 3.186 20 30 EGEDLO CC(C)(C)OC(=O)NCC12CC(C1)C[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC000852527458 1323204526 /nfs/dbraw/zinc/20/45/26/1323204526.db2.gz NWRMAEJJSCBNOL-UHFFFAOYSA-N 1 2 345.418 3.186 20 30 EGEDLO O=C(NC[C@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1)c1ccoc1 ZINC001024331566 1323318501 /nfs/dbraw/zinc/31/85/01/1323318501.db2.gz KXAMOUNMOJKRLA-LJQANCHMSA-N 1 2 340.398 3.055 20 30 EGEDLO O=C(NC[C@H]1CCCC[N@@H+]1CC#Cc1ccc(F)cc1)c1ccoc1 ZINC001024331566 1323318503 /nfs/dbraw/zinc/31/85/03/1323318503.db2.gz KXAMOUNMOJKRLA-LJQANCHMSA-N 1 2 340.398 3.055 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)C1CC(C)(C)C1 ZINC001024425448 1323386309 /nfs/dbraw/zinc/38/63/09/1323386309.db2.gz ACGGDMJAZYUCJC-CQSZACIVSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC(C)(C)C1 ZINC001024425448 1323386315 /nfs/dbraw/zinc/38/63/15/1323386315.db2.gz ACGGDMJAZYUCJC-CQSZACIVSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn2ccccc12 ZINC001024547465 1323489338 /nfs/dbraw/zinc/48/93/38/1323489338.db2.gz LQNBRSZQVJFLAB-OAHLLOKOSA-N 1 2 331.847 3.276 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccn2ccccc12 ZINC001024547465 1323489340 /nfs/dbraw/zinc/48/93/40/1323489340.db2.gz LQNBRSZQVJFLAB-OAHLLOKOSA-N 1 2 331.847 3.276 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc2c1O[C@@H](C)C2 ZINC001024561160 1323501901 /nfs/dbraw/zinc/50/19/01/1323501901.db2.gz LJAJWUSARWOQJJ-HOCLYGCPSA-N 1 2 348.874 3.347 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc2c1O[C@@H](C)C2 ZINC001024561160 1323501906 /nfs/dbraw/zinc/50/19/06/1323501906.db2.gz LJAJWUSARWOQJJ-HOCLYGCPSA-N 1 2 348.874 3.347 20 30 EGEDLO C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1Cl ZINC001024598489 1323529517 /nfs/dbraw/zinc/52/95/17/1323529517.db2.gz GCURPXFZWYVXRT-KBAYOESNSA-N 1 2 344.886 3.318 20 30 EGEDLO C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC001024598489 1323529522 /nfs/dbraw/zinc/52/95/22/1323529522.db2.gz GCURPXFZWYVXRT-KBAYOESNSA-N 1 2 344.886 3.318 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nc(C2CCC2)no1 ZINC001025040809 1323843119 /nfs/dbraw/zinc/84/31/19/1323843119.db2.gz MLDNKQGDKFBXNL-OAHLLOKOSA-N 1 2 346.475 3.020 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](O)c1c(F)cccc1F ZINC000853367674 1325085847 /nfs/dbraw/zinc/08/58/47/1325085847.db2.gz QQDOZLUZBUAGQE-HNNXBMFYSA-N 1 2 332.350 3.298 20 30 EGEDLO C[C@H]1CN(c2ccccc2C=[NH+]Nc2ccnc(Cl)c2)CCO1 ZINC000853394054 1325089022 /nfs/dbraw/zinc/08/90/22/1325089022.db2.gz GYHZRMVPHKUJOD-ZDUSSCGKSA-N 1 2 330.819 3.406 20 30 EGEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2nc(C(C)(C)C)cs2)C1 ZINC001027330083 1325486391 /nfs/dbraw/zinc/48/63/91/1325486391.db2.gz HXXUFYZQMDXCLV-UONOGXRCSA-N 1 2 348.516 3.023 20 30 EGEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2nc(C(C)(C)C)cs2)C1 ZINC001027330083 1325486394 /nfs/dbraw/zinc/48/63/94/1325486394.db2.gz HXXUFYZQMDXCLV-UONOGXRCSA-N 1 2 348.516 3.023 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2cc(C)on2)C1 ZINC001027426896 1327664392 /nfs/dbraw/zinc/66/43/92/1327664392.db2.gz VOVHDQGDXBPHCU-OAHLLOKOSA-N 1 2 339.867 3.185 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cc(C)on2)C1 ZINC001027426896 1327664402 /nfs/dbraw/zinc/66/44/02/1327664402.db2.gz VOVHDQGDXBPHCU-OAHLLOKOSA-N 1 2 339.867 3.185 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@H+](C)Cc3nccs3)C2)CC1 ZINC001027559492 1327871769 /nfs/dbraw/zinc/87/17/69/1327871769.db2.gz ZLWXSGBKHDLTNW-INIZCTEOSA-N 1 2 333.501 3.312 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@@H+](C)Cc3nccs3)C2)CC1 ZINC001027559492 1327871776 /nfs/dbraw/zinc/87/17/76/1327871776.db2.gz ZLWXSGBKHDLTNW-INIZCTEOSA-N 1 2 333.501 3.312 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2c(F)cccc2OC)C1 ZINC000966325211 1328272870 /nfs/dbraw/zinc/27/28/70/1328272870.db2.gz MSIQKUHTMUYUHJ-SMDDNHRTSA-N 1 2 340.826 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2c(F)cccc2OC)C1 ZINC000966325211 1328272875 /nfs/dbraw/zinc/27/28/75/1328272875.db2.gz MSIQKUHTMUYUHJ-SMDDNHRTSA-N 1 2 340.826 3.027 20 30 EGEDLO CC1(C)C[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl ZINC001027830422 1328286466 /nfs/dbraw/zinc/28/64/66/1328286466.db2.gz BKAIHPBKOWKZGJ-DLBZAZTESA-N 1 2 344.886 3.318 20 30 EGEDLO CC1(C)C[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1Cl ZINC001027830422 1328286476 /nfs/dbraw/zinc/28/64/76/1328286476.db2.gz BKAIHPBKOWKZGJ-DLBZAZTESA-N 1 2 344.886 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(F)ccc2F)C1 ZINC000966718415 1328390878 /nfs/dbraw/zinc/39/08/78/1328390878.db2.gz CUWJEVNKCYCSEN-BMIGLBTASA-N 1 2 328.790 3.158 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(F)ccc2F)C1 ZINC000966718415 1328390888 /nfs/dbraw/zinc/39/08/88/1328390888.db2.gz CUWJEVNKCYCSEN-BMIGLBTASA-N 1 2 328.790 3.158 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(F)ccc2F)C1 ZINC000966718418 1328391955 /nfs/dbraw/zinc/39/19/55/1328391955.db2.gz CUWJEVNKCYCSEN-MEBBXXQBSA-N 1 2 328.790 3.158 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(F)ccc2F)C1 ZINC000966718418 1328391963 /nfs/dbraw/zinc/39/19/63/1328391963.db2.gz CUWJEVNKCYCSEN-MEBBXXQBSA-N 1 2 328.790 3.158 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2ccc(OC)cc21 ZINC001027938215 1328415203 /nfs/dbraw/zinc/41/52/03/1328415203.db2.gz VRBICLNQTXROEB-WBVHZDCISA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2ccc(OC)cc21 ZINC001027938215 1328415209 /nfs/dbraw/zinc/41/52/09/1328415209.db2.gz VRBICLNQTXROEB-WBVHZDCISA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnc(-c2ccco2)c1 ZINC001027956745 1328426921 /nfs/dbraw/zinc/42/69/21/1328426921.db2.gz NTVVJDNIQMGFQD-OAHLLOKOSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccnc(-c2ccco2)c1 ZINC001027956745 1328426925 /nfs/dbraw/zinc/42/69/25/1328426925.db2.gz NTVVJDNIQMGFQD-OAHLLOKOSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)c(F)cc1F ZINC001027960692 1328429636 /nfs/dbraw/zinc/42/96/36/1328429636.db2.gz GRVGKUFCDWRVHO-LBPRGKRZSA-N 1 2 328.790 3.220 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)c(F)cc1F ZINC001027960692 1328429641 /nfs/dbraw/zinc/42/96/41/1328429641.db2.gz GRVGKUFCDWRVHO-LBPRGKRZSA-N 1 2 328.790 3.220 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2oc(C)nc2c1 ZINC001027961895 1328431328 /nfs/dbraw/zinc/43/13/28/1328431328.db2.gz IBBRLNOVNHSDRM-CQSZACIVSA-N 1 2 333.819 3.083 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2oc(C)nc2c1 ZINC001027961895 1328431335 /nfs/dbraw/zinc/43/13/35/1328431335.db2.gz IBBRLNOVNHSDRM-CQSZACIVSA-N 1 2 333.819 3.083 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccnc(CCC)c2)C1 ZINC000966876703 1328448603 /nfs/dbraw/zinc/44/86/03/1328448603.db2.gz YYZPHFYZRUZVTN-GUYCJALGSA-N 1 2 335.879 3.227 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccnc(CCC)c2)C1 ZINC000966876703 1328448610 /nfs/dbraw/zinc/44/86/10/1328448610.db2.gz YYZPHFYZRUZVTN-GUYCJALGSA-N 1 2 335.879 3.227 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)cc1F ZINC001028010209 1328472203 /nfs/dbraw/zinc/47/22/03/1328472203.db2.gz UBTCBBVLFPXDDV-LBPRGKRZSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)cc1F ZINC001028010209 1328472208 /nfs/dbraw/zinc/47/22/08/1328472208.db2.gz UBTCBBVLFPXDDV-LBPRGKRZSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)nc1C1CC1 ZINC001028053755 1328518939 /nfs/dbraw/zinc/51/89/39/1328518939.db2.gz JHUIADQTCHEEAI-OAHLLOKOSA-N 1 2 333.863 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)nc1C1CC1 ZINC001028053755 1328518946 /nfs/dbraw/zinc/51/89/46/1328518946.db2.gz JHUIADQTCHEEAI-OAHLLOKOSA-N 1 2 333.863 3.214 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)C2)CC1 ZINC001063021091 1351702563 /nfs/dbraw/zinc/70/25/63/1351702563.db2.gz OXQUGMYKEGLMRE-SFHVURJKSA-N 1 2 342.487 3.185 20 30 EGEDLO CSCC1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000932589672 1329825518 /nfs/dbraw/zinc/82/55/18/1329825518.db2.gz NKTGBRQIRVJDAD-UHFFFAOYSA-N 1 2 349.525 3.316 20 30 EGEDLO Cc1cccc(C)c1C[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000933764998 1329920108 /nfs/dbraw/zinc/92/01/08/1329920108.db2.gz HYMVKOGKKPXBOK-UHFFFAOYSA-N 1 2 342.464 3.081 20 30 EGEDLO Cc1cccc(C)c1C[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000933764998 1329920110 /nfs/dbraw/zinc/92/01/10/1329920110.db2.gz HYMVKOGKKPXBOK-UHFFFAOYSA-N 1 2 342.464 3.081 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001063286736 1351795659 /nfs/dbraw/zinc/79/56/59/1351795659.db2.gz VKBWAROLYMHNKO-INIZCTEOSA-N 1 2 330.476 3.428 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)CC2CC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC000946984868 1332955493 /nfs/dbraw/zinc/95/54/93/1332955493.db2.gz DMZBISYOJRSKAN-YJBOKZPZSA-N 1 2 344.886 3.461 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)CC2CC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC000946984868 1332955494 /nfs/dbraw/zinc/95/54/94/1332955494.db2.gz DMZBISYOJRSKAN-YJBOKZPZSA-N 1 2 344.886 3.461 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccccc2)C[C@@H]1C ZINC000947006348 1332967948 /nfs/dbraw/zinc/96/79/48/1332967948.db2.gz ZUVJWQCGVZPVPY-ZFWWWQNUSA-N 1 2 337.261 3.178 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2)C[C@@H]1C ZINC000947006348 1332967953 /nfs/dbraw/zinc/96/79/53/1332967953.db2.gz ZUVJWQCGVZPVPY-ZFWWWQNUSA-N 1 2 337.261 3.178 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)cc(F)c1 ZINC000948960071 1333748135 /nfs/dbraw/zinc/74/81/35/1333748135.db2.gz BESBQTJJRXSFGO-FQEVSTJZSA-N 1 2 336.410 3.097 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)cc(F)c1 ZINC000948960071 1333748138 /nfs/dbraw/zinc/74/81/38/1333748138.db2.gz BESBQTJJRXSFGO-FQEVSTJZSA-N 1 2 336.410 3.097 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](Cc2cccc(COC)c2)CC1 ZINC000950038879 1333998562 /nfs/dbraw/zinc/99/85/62/1333998562.db2.gz IIGOAUWCNSHAIU-HXUWFJFHSA-N 1 2 330.472 3.080 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[NH+](Cc3cccc(OCCC)c3)CC2)C1 ZINC000950383142 1334056759 /nfs/dbraw/zinc/05/67/59/1334056759.db2.gz UAIQQXVUNXXTOH-UHFFFAOYSA-N 1 2 342.483 3.476 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC000951700286 1334301117 /nfs/dbraw/zinc/30/11/17/1334301117.db2.gz XLIDLPIVFSRWNY-SNRMKQJTSA-N 1 2 346.446 3.012 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC000967274669 1335684051 /nfs/dbraw/zinc/68/40/51/1335684051.db2.gz RMKRTXZFXAVJNS-SJCJKPOMSA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC000967274669 1335684052 /nfs/dbraw/zinc/68/40/52/1335684052.db2.gz RMKRTXZFXAVJNS-SJCJKPOMSA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2nccc3occc32)C1 ZINC000967418685 1335732527 /nfs/dbraw/zinc/73/25/27/1335732527.db2.gz BLQMUNZCVCCPQS-FZMZJTMJSA-N 1 2 333.819 3.021 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2nccc3occc32)C1 ZINC000967418685 1335732529 /nfs/dbraw/zinc/73/25/29/1335732529.db2.gz BLQMUNZCVCCPQS-FZMZJTMJSA-N 1 2 333.819 3.021 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2nccc3occc32)C1 ZINC000967418688 1335732597 /nfs/dbraw/zinc/73/25/97/1335732597.db2.gz BLQMUNZCVCCPQS-SMDDNHRTSA-N 1 2 333.819 3.021 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2nccc3occc32)C1 ZINC000967418688 1335732600 /nfs/dbraw/zinc/73/26/00/1335732600.db2.gz BLQMUNZCVCCPQS-SMDDNHRTSA-N 1 2 333.819 3.021 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3ccnc(Cl)c3)CC[C@H]2C)C1 ZINC000968211910 1335872743 /nfs/dbraw/zinc/87/27/43/1335872743.db2.gz MCXUPQJVPQOVNT-GDBMZVCRSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3ccnc(Cl)c3)CC[C@H]2C)C1 ZINC000968211910 1335872744 /nfs/dbraw/zinc/87/27/44/1335872744.db2.gz MCXUPQJVPQOVNT-GDBMZVCRSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3ncc(C)s3)CC[C@@H]2C)C1 ZINC000968276288 1335883046 /nfs/dbraw/zinc/88/30/46/1335883046.db2.gz VWFQQCNOWKSLIY-DZGCQCFKSA-N 1 2 333.501 3.134 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3ncc(C)s3)CC[C@@H]2C)C1 ZINC000968276288 1335883048 /nfs/dbraw/zinc/88/30/48/1335883048.db2.gz VWFQQCNOWKSLIY-DZGCQCFKSA-N 1 2 333.501 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnc3ccccc3c2)C1 ZINC000968361268 1335903108 /nfs/dbraw/zinc/90/31/08/1335903108.db2.gz UIWGBFCHABXLSM-FZKQIMNGSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnc3ccccc3c2)C1 ZINC000968361268 1335903113 /nfs/dbraw/zinc/90/31/13/1335903113.db2.gz UIWGBFCHABXLSM-FZKQIMNGSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2ccc(C)s2)C1 ZINC000968677605 1336006907 /nfs/dbraw/zinc/00/69/07/1336006907.db2.gz GGJAJNOCECWLQU-NHYWBVRUSA-N 1 2 326.893 3.178 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2ccc(C)s2)C1 ZINC000968677605 1336006909 /nfs/dbraw/zinc/00/69/09/1336006909.db2.gz GGJAJNOCECWLQU-NHYWBVRUSA-N 1 2 326.893 3.178 20 30 EGEDLO C#Cc1ccc(C(=O)N2CCCC[C@H]2CCNc2cc[nH+]c(C)n2)cc1 ZINC001063843684 1352041124 /nfs/dbraw/zinc/04/11/24/1352041124.db2.gz SZKIZSLJZSREAY-IBGZPJMESA-N 1 2 348.450 3.263 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC000969960835 1336266853 /nfs/dbraw/zinc/26/68/53/1336266853.db2.gz ICASRXCEOHHTJN-KDOFPFPSSA-N 1 2 332.875 3.296 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnc3ccccc3c2)C1 ZINC000970496144 1336313227 /nfs/dbraw/zinc/31/32/27/1336313227.db2.gz LXBSCZVRITXPOK-CYBMUJFWSA-N 1 2 329.831 3.037 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnc3ccc(F)cc3c2)C1 ZINC000970690748 1336333582 /nfs/dbraw/zinc/33/35/82/1336333582.db2.gz UVJYZNWEMLBNRQ-LBPRGKRZSA-N 1 2 347.821 3.177 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@]2(C)C=CCC2)CC1 ZINC001005839341 1336406953 /nfs/dbraw/zinc/40/69/53/1336406953.db2.gz BPWSKCNVPROHPH-MRXNPFEDSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@H]2C[C@]2(C)CC)CC1 ZINC001006223602 1336470298 /nfs/dbraw/zinc/47/02/98/1336470298.db2.gz HRMFHKTYACAVKO-ZBFHGGJFSA-N 1 2 343.309 3.254 20 30 EGEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)c1ccco1 ZINC001006606183 1336537952 /nfs/dbraw/zinc/53/79/52/1336537952.db2.gz XFRGUNBSMARBBV-QGZVFWFLSA-N 1 2 342.826 3.179 20 30 EGEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)c1ccco1 ZINC001006606183 1336537955 /nfs/dbraw/zinc/53/79/55/1336537955.db2.gz XFRGUNBSMARBBV-QGZVFWFLSA-N 1 2 342.826 3.179 20 30 EGEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1ccccc1 ZINC001006612705 1336539140 /nfs/dbraw/zinc/53/91/40/1336539140.db2.gz FISJTFQGIWGPRO-FQEVSTJZSA-N 1 2 336.410 3.072 20 30 EGEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)c1ccccc1 ZINC001006612705 1336539143 /nfs/dbraw/zinc/53/91/43/1336539143.db2.gz FISJTFQGIWGPRO-FQEVSTJZSA-N 1 2 336.410 3.072 20 30 EGEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)c1cccc(F)c1 ZINC001006635303 1336544349 /nfs/dbraw/zinc/54/43/49/1336544349.db2.gz CKZYXJNPUZEXHM-FQEVSTJZSA-N 1 2 336.410 3.072 20 30 EGEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1cccc(F)c1 ZINC001006635303 1336544351 /nfs/dbraw/zinc/54/43/51/1336544351.db2.gz CKZYXJNPUZEXHM-FQEVSTJZSA-N 1 2 336.410 3.072 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](NC(=O)C[C@@H]3C=CCC3)C2)c1 ZINC001006702685 1336559316 /nfs/dbraw/zinc/55/93/16/1336559316.db2.gz GZDIKOBATFLTQT-QAPCUYQASA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](NC(=O)C[C@@H]3C=CCC3)C2)c1 ZINC001006702685 1336559318 /nfs/dbraw/zinc/55/93/18/1336559318.db2.gz GZDIKOBATFLTQT-QAPCUYQASA-N 1 2 341.430 3.134 20 30 EGEDLO C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1)C1CCC1 ZINC001007597707 1336675071 /nfs/dbraw/zinc/67/50/71/1336675071.db2.gz SMPVWONHWFBDFI-KSSFIOAISA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1)C1CCC1 ZINC001007597707 1336675072 /nfs/dbraw/zinc/67/50/72/1336675072.db2.gz SMPVWONHWFBDFI-KSSFIOAISA-N 1 2 343.446 3.214 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001007651140 1336683975 /nfs/dbraw/zinc/68/39/75/1336683975.db2.gz ZRNDOAKQDAVPKO-BSLVTKGXSA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001007651140 1336683976 /nfs/dbraw/zinc/68/39/76/1336683976.db2.gz ZRNDOAKQDAVPKO-BSLVTKGXSA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)C3(F)CCCC3)C2)c(F)c1 ZINC001007719623 1336690129 /nfs/dbraw/zinc/69/01/29/1336690129.db2.gz PMNQHUVUHMIMFE-INIZCTEOSA-N 1 2 347.409 3.060 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)C3(F)CCCC3)C2)c(F)c1 ZINC001007719623 1336690132 /nfs/dbraw/zinc/69/01/32/1336690132.db2.gz PMNQHUVUHMIMFE-INIZCTEOSA-N 1 2 347.409 3.060 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2c(C)cc3ccccc32)C1 ZINC001007844058 1336715471 /nfs/dbraw/zinc/71/54/71/1336715471.db2.gz DXGARMLLWXFAII-QGZVFWFLSA-N 1 2 345.874 3.283 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2c(C)cc3ccccc32)C1 ZINC001007844058 1336715474 /nfs/dbraw/zinc/71/54/74/1336715474.db2.gz DXGARMLLWXFAII-QGZVFWFLSA-N 1 2 345.874 3.283 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001008263139 1336808797 /nfs/dbraw/zinc/80/87/97/1336808797.db2.gz XECFBSXNVNBZKT-SWLSCSKDSA-N 1 2 334.847 3.129 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001008263139 1336808799 /nfs/dbraw/zinc/80/87/99/1336808799.db2.gz XECFBSXNVNBZKT-SWLSCSKDSA-N 1 2 334.847 3.129 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3nc4ccccc4o3)C2)C1 ZINC001008438258 1336853031 /nfs/dbraw/zinc/85/30/31/1336853031.db2.gz VGTIOWVYPRLBJI-OAHLLOKOSA-N 1 2 339.439 3.265 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3nc4ccccc4o3)C2)C1 ZINC001008438258 1336853032 /nfs/dbraw/zinc/85/30/32/1336853032.db2.gz VGTIOWVYPRLBJI-OAHLLOKOSA-N 1 2 339.439 3.265 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2cccc(Cl)c2F)C1 ZINC001008662031 1336906623 /nfs/dbraw/zinc/90/66/23/1336906623.db2.gz WFQUCRLBRDEHDC-ZDUSSCGKSA-N 1 2 345.245 3.355 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2cccc(Cl)c2F)C1 ZINC001008662031 1336906625 /nfs/dbraw/zinc/90/66/25/1336906625.db2.gz WFQUCRLBRDEHDC-ZDUSSCGKSA-N 1 2 345.245 3.355 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C23CC(C(F)(F)F)(C2)C3)C1 ZINC001009642140 1337051433 /nfs/dbraw/zinc/05/14/33/1337051433.db2.gz JEQFDQCLLDNVQQ-LMWSTFAQSA-N 1 2 336.785 3.052 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C23CC(C(F)(F)F)(C2)C3)C1 ZINC001009642140 1337051436 /nfs/dbraw/zinc/05/14/36/1337051436.db2.gz JEQFDQCLLDNVQQ-LMWSTFAQSA-N 1 2 336.785 3.052 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)s1 ZINC001009950312 1337119535 /nfs/dbraw/zinc/11/95/35/1337119535.db2.gz KQVOFLDXHRKOEC-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)s1 ZINC001009950312 1337119538 /nfs/dbraw/zinc/11/95/38/1337119538.db2.gz KQVOFLDXHRKOEC-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1csc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)c1 ZINC001014374618 1337757204 /nfs/dbraw/zinc/75/72/04/1337757204.db2.gz HRFMZERIKSNESL-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1csc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)c1 ZINC001014374618 1337757205 /nfs/dbraw/zinc/75/72/05/1337757205.db2.gz HRFMZERIKSNESL-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2coc3cc(F)ccc23)C1 ZINC001014395131 1337765478 /nfs/dbraw/zinc/76/54/78/1337765478.db2.gz DKPCKXNCKAGKRZ-CQSZACIVSA-N 1 2 336.794 3.057 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2coc3cc(F)ccc23)C1 ZINC001014395131 1337765481 /nfs/dbraw/zinc/76/54/81/1337765481.db2.gz DKPCKXNCKAGKRZ-CQSZACIVSA-N 1 2 336.794 3.057 20 30 EGEDLO CC(C)c1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)cn1 ZINC001014713295 1337878782 /nfs/dbraw/zinc/87/87/82/1337878782.db2.gz KDMMEPBUSMPDCS-IBGZPJMESA-N 1 2 348.450 3.081 20 30 EGEDLO CC(C)c1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cn1 ZINC001014713295 1337878785 /nfs/dbraw/zinc/87/87/85/1337878785.db2.gz KDMMEPBUSMPDCS-IBGZPJMESA-N 1 2 348.450 3.081 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001015359813 1338110959 /nfs/dbraw/zinc/11/09/59/1338110959.db2.gz GMKBFFWESPFBCU-PDOICOKGSA-N 1 2 337.467 3.075 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001015359813 1338110962 /nfs/dbraw/zinc/11/09/62/1338110962.db2.gz GMKBFFWESPFBCU-PDOICOKGSA-N 1 2 337.467 3.075 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(c3cccc(C)c3)CCC2)C1 ZINC001015466120 1338149656 /nfs/dbraw/zinc/14/96/56/1338149656.db2.gz JPHSGIKWMOEWPD-KRWDZBQOSA-N 1 2 332.875 3.360 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(c3cccc(C)c3)CCC2)C1 ZINC001015466120 1338149658 /nfs/dbraw/zinc/14/96/58/1338149658.db2.gz JPHSGIKWMOEWPD-KRWDZBQOSA-N 1 2 332.875 3.360 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)C1 ZINC001015478978 1338154574 /nfs/dbraw/zinc/15/45/74/1338154574.db2.gz YLWFQSLHEFEVAY-ZDUSSCGKSA-N 1 2 338.238 3.378 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)C1 ZINC001015478978 1338154576 /nfs/dbraw/zinc/15/45/76/1338154576.db2.gz YLWFQSLHEFEVAY-ZDUSSCGKSA-N 1 2 338.238 3.378 20 30 EGEDLO CC1(C(=O)N[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)CC=CC1 ZINC001015654297 1338234464 /nfs/dbraw/zinc/23/44/64/1338234464.db2.gz YLSIJAKYXRFUCM-SFHVURJKSA-N 1 2 342.870 3.238 20 30 EGEDLO CC1(C(=O)N[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)CC=CC1 ZINC001015654297 1338234465 /nfs/dbraw/zinc/23/44/65/1338234465.db2.gz YLSIJAKYXRFUCM-SFHVURJKSA-N 1 2 342.870 3.238 20 30 EGEDLO CC1(C)CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001015671574 1338248896 /nfs/dbraw/zinc/24/88/96/1338248896.db2.gz YTFUKOMOQCGCSC-YJBOKZPZSA-N 1 2 325.456 3.075 20 30 EGEDLO CC1(C)CC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001015671574 1338248900 /nfs/dbraw/zinc/24/89/00/1338248900.db2.gz YTFUKOMOQCGCSC-YJBOKZPZSA-N 1 2 325.456 3.075 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2[nH]c3ccc(C)cc3c2C)C1 ZINC001015925145 1338360029 /nfs/dbraw/zinc/36/00/29/1338360029.db2.gz ASBZRHVBJMDMIJ-AWEZNQCLSA-N 1 2 331.847 3.341 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2[nH]c3ccc(C)cc3c2C)C1 ZINC001015925145 1338360032 /nfs/dbraw/zinc/36/00/32/1338360032.db2.gz ASBZRHVBJMDMIJ-AWEZNQCLSA-N 1 2 331.847 3.341 20 30 EGEDLO CCCc1occc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001015991241 1338396780 /nfs/dbraw/zinc/39/67/80/1338396780.db2.gz YKWFOJYFYPBTFO-GOSISDBHSA-N 1 2 336.435 3.088 20 30 EGEDLO CCCc1occc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001015991241 1338396784 /nfs/dbraw/zinc/39/67/84/1338396784.db2.gz YKWFOJYFYPBTFO-GOSISDBHSA-N 1 2 336.435 3.088 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)nc3ccccc32)C1 ZINC001016173554 1338490594 /nfs/dbraw/zinc/49/05/94/1338490594.db2.gz IQHOIBCXATXPSR-CQSZACIVSA-N 1 2 329.831 3.100 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)nc3ccccc32)C1 ZINC001016173554 1338490597 /nfs/dbraw/zinc/49/05/97/1338490597.db2.gz IQHOIBCXATXPSR-CQSZACIVSA-N 1 2 329.831 3.100 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2coc3cc(C)ccc23)C1 ZINC001016182353 1338494940 /nfs/dbraw/zinc/49/49/40/1338494940.db2.gz PEXPRXRDFHUUNR-HNNXBMFYSA-N 1 2 332.831 3.227 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2coc3cc(C)ccc23)C1 ZINC001016182353 1338494942 /nfs/dbraw/zinc/49/49/42/1338494942.db2.gz PEXPRXRDFHUUNR-HNNXBMFYSA-N 1 2 332.831 3.227 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001016303999 1338540589 /nfs/dbraw/zinc/54/05/89/1338540589.db2.gz BWLCVBNVDQPHAQ-AAEUAGOBSA-N 1 2 328.790 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001016303999 1338540592 /nfs/dbraw/zinc/54/05/92/1338540592.db2.gz BWLCVBNVDQPHAQ-AAEUAGOBSA-N 1 2 328.790 3.011 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(c3ccc(C)cc3)CCC2)C1 ZINC001016373993 1338576227 /nfs/dbraw/zinc/57/62/27/1338576227.db2.gz SOXYYHKZDVFRNV-QGZVFWFLSA-N 1 2 332.875 3.360 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(c3ccc(C)cc3)CCC2)C1 ZINC001016373993 1338576231 /nfs/dbraw/zinc/57/62/31/1338576231.db2.gz SOXYYHKZDVFRNV-QGZVFWFLSA-N 1 2 332.875 3.360 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H](C[N@@H+](C)[C@@H](C)c2noc(C)n2)C1 ZINC001017180850 1338924908 /nfs/dbraw/zinc/92/49/08/1338924908.db2.gz WFAQMATVIVXQHU-GOEBONIOSA-N 1 2 348.491 3.212 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H](C[N@H+](C)[C@@H](C)c2noc(C)n2)C1 ZINC001017180850 1338924910 /nfs/dbraw/zinc/92/49/10/1338924910.db2.gz WFAQMATVIVXQHU-GOEBONIOSA-N 1 2 348.491 3.212 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)c(C(F)F)c1 ZINC001017558526 1339367532 /nfs/dbraw/zinc/36/75/32/1339367532.db2.gz HIMNQVGOQTWQFA-OKILXGFUSA-N 1 2 336.357 3.075 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)c(C(F)F)c1 ZINC001017558526 1339367534 /nfs/dbraw/zinc/36/75/34/1339367534.db2.gz HIMNQVGOQTWQFA-OKILXGFUSA-N 1 2 336.357 3.075 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](Cc1ccccc1)C(C)C ZINC001017938163 1339460492 /nfs/dbraw/zinc/46/04/92/1339460492.db2.gz XIPJMOJWJARFPF-QHAWAJNXSA-N 1 2 338.495 3.200 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](Cc1ccccc1)C(C)C ZINC001017938163 1339460495 /nfs/dbraw/zinc/46/04/95/1339460495.db2.gz XIPJMOJWJARFPF-QHAWAJNXSA-N 1 2 338.495 3.200 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)c(C)c1Cl ZINC001018174801 1339522219 /nfs/dbraw/zinc/52/22/19/1339522219.db2.gz IMYMTLNJACZCMV-IYBDPMFKSA-N 1 2 330.859 3.269 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)c(C)c1Cl ZINC001018174801 1339522222 /nfs/dbraw/zinc/52/22/22/1339522222.db2.gz IMYMTLNJACZCMV-IYBDPMFKSA-N 1 2 330.859 3.269 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccnc(C2CCCC2)n1 ZINC001028234179 1340496555 /nfs/dbraw/zinc/49/65/55/1340496555.db2.gz RWINQDOOVQBFKV-HNNXBMFYSA-N 1 2 348.878 3.081 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccnc(C2CCCC2)n1 ZINC001028234179 1340496559 /nfs/dbraw/zinc/49/65/59/1340496559.db2.gz RWINQDOOVQBFKV-HNNXBMFYSA-N 1 2 348.878 3.081 20 30 EGEDLO CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029190175 1340951636 /nfs/dbraw/zinc/95/16/36/1340951636.db2.gz JCJVJEUZTAOABL-HDICACEKSA-N 1 2 330.859 3.167 20 30 EGEDLO CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029190175 1340951638 /nfs/dbraw/zinc/95/16/38/1340951638.db2.gz JCJVJEUZTAOABL-HDICACEKSA-N 1 2 330.859 3.167 20 30 EGEDLO C/C(=C/C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1)C1CC1 ZINC001029232302 1340959333 /nfs/dbraw/zinc/95/93/33/1340959333.db2.gz VCCGWJVYRPSRAC-GERKINCISA-N 1 2 341.480 3.151 20 30 EGEDLO C/C(=C/C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1)C1CC1 ZINC001029232302 1340959334 /nfs/dbraw/zinc/95/93/34/1340959334.db2.gz VCCGWJVYRPSRAC-GERKINCISA-N 1 2 341.480 3.151 20 30 EGEDLO CC(C)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029533845 1341006355 /nfs/dbraw/zinc/00/63/55/1341006355.db2.gz CZSXYSJUFJSUKS-WOZUAGRISA-N 1 2 336.479 3.005 20 30 EGEDLO CC(C)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029533845 1341006357 /nfs/dbraw/zinc/00/63/57/1341006357.db2.gz CZSXYSJUFJSUKS-WOZUAGRISA-N 1 2 336.479 3.005 20 30 EGEDLO O=C([C@H]1CC12CCCC2)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029540714 1341008958 /nfs/dbraw/zinc/00/89/58/1341008958.db2.gz PSMVDOQZQWSZFR-QHAWAJNXSA-N 1 2 348.490 3.294 20 30 EGEDLO O=C([C@H]1CC12CCCC2)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029540714 1341008959 /nfs/dbraw/zinc/00/89/59/1341008959.db2.gz PSMVDOQZQWSZFR-QHAWAJNXSA-N 1 2 348.490 3.294 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@@H](C[N@@H+](C)[C@H](C)c3csnn3)C2)CC1 ZINC001029826755 1341087530 /nfs/dbraw/zinc/08/75/30/1341087530.db2.gz VISGFMOIRSQSBC-CABCVRRESA-N 1 2 348.516 3.126 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@@H](C[N@H+](C)[C@H](C)c3csnn3)C2)CC1 ZINC001029826755 1341087531 /nfs/dbraw/zinc/08/75/31/1341087531.db2.gz VISGFMOIRSQSBC-CABCVRRESA-N 1 2 348.516 3.126 20 30 EGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+]([C@H](CC)c2ccc(F)cc2)C1 ZINC001030332939 1341178990 /nfs/dbraw/zinc/17/89/90/1341178990.db2.gz VABAPZBBYLNQLX-QRVBRYPASA-N 1 2 346.446 3.058 20 30 EGEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2sccc2Cl)C1 ZINC001031691239 1341388711 /nfs/dbraw/zinc/38/87/11/1341388711.db2.gz UVQKWQTXUWAJDP-UHFFFAOYSA-N 1 2 345.855 3.135 20 30 EGEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001031763186 1341398314 /nfs/dbraw/zinc/39/83/14/1341398314.db2.gz LWZVNRBTXURXQK-GOSISDBHSA-N 1 2 337.467 3.243 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]2c2ccccc2)C1 ZINC001031836755 1341409424 /nfs/dbraw/zinc/40/94/24/1341409424.db2.gz QHRHPJLMUWDQDR-ROUUACIJSA-N 1 2 332.875 3.371 20 30 EGEDLO CC1(C)CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031906131 1341418905 /nfs/dbraw/zinc/41/89/05/1341418905.db2.gz FUHJJYBYYUMBFL-QGZVFWFLSA-N 1 2 343.446 3.072 20 30 EGEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2csc(Cl)c2)C1 ZINC001032029897 1341442695 /nfs/dbraw/zinc/44/26/95/1341442695.db2.gz QAKPISJYYSIOAG-UHFFFAOYSA-N 1 2 345.855 3.135 20 30 EGEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1coc2ccccc12 ZINC001032224949 1341477368 /nfs/dbraw/zinc/47/73/68/1341477368.db2.gz ILJFFRQYSFAOEB-UHFFFAOYSA-N 1 2 344.414 3.146 20 30 EGEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c(Cl)oc2ccccc21 ZINC001032318280 1341494144 /nfs/dbraw/zinc/49/41/44/1341494144.db2.gz LGKRFEWJEARVJH-AGIUHOORSA-N 1 2 343.814 3.031 20 30 EGEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1c(Cl)oc2ccccc21 ZINC001032318280 1341494146 /nfs/dbraw/zinc/49/41/46/1341494146.db2.gz LGKRFEWJEARVJH-AGIUHOORSA-N 1 2 343.814 3.031 20 30 EGEDLO CC(C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)s1)=C1CCCC1 ZINC001032348827 1341500503 /nfs/dbraw/zinc/50/05/03/1341500503.db2.gz PZPARALLVBHVJA-HOTGVXAUSA-N 1 2 341.480 3.295 20 30 EGEDLO CC(C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)s1)=C1CCCC1 ZINC001032348827 1341500505 /nfs/dbraw/zinc/50/05/05/1341500505.db2.gz PZPARALLVBHVJA-HOTGVXAUSA-N 1 2 341.480 3.295 20 30 EGEDLO CC1=C(C)C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)CC1 ZINC001032419132 1341507726 /nfs/dbraw/zinc/50/77/26/1341507726.db2.gz FMLGBEKZTKYHAQ-ACRUOGEOSA-N 1 2 349.478 3.480 20 30 EGEDLO CC1=C(C)C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)CC1 ZINC001032419132 1341507727 /nfs/dbraw/zinc/50/77/27/1341507727.db2.gz FMLGBEKZTKYHAQ-ACRUOGEOSA-N 1 2 349.478 3.480 20 30 EGEDLO O=C(C[C@@H]1C=CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032470799 1341516189 /nfs/dbraw/zinc/51/61/89/1341516189.db2.gz GIVYZBOITXHNAO-HKBOAZHASA-N 1 2 334.463 3.070 20 30 EGEDLO O=C(C[C@@H]1C=CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032470799 1341516190 /nfs/dbraw/zinc/51/61/90/1341516190.db2.gz GIVYZBOITXHNAO-HKBOAZHASA-N 1 2 334.463 3.070 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2CCC3(CC3)CC2)c1 ZINC001032524599 1341530958 /nfs/dbraw/zinc/53/09/58/1341530958.db2.gz KKMZFOMIQGOJAG-PMACEKPBSA-N 1 2 349.478 3.314 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2CCC3(CC3)CC2)c1 ZINC001032524599 1341530959 /nfs/dbraw/zinc/53/09/59/1341530959.db2.gz KKMZFOMIQGOJAG-PMACEKPBSA-N 1 2 349.478 3.314 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)c1 ZINC001032534582 1341534084 /nfs/dbraw/zinc/53/40/84/1341534084.db2.gz VUTLDVGWWCGMMP-WHZJULEDSA-N 1 2 349.478 3.170 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)c1 ZINC001032534582 1341534086 /nfs/dbraw/zinc/53/40/86/1341534086.db2.gz VUTLDVGWWCGMMP-WHZJULEDSA-N 1 2 349.478 3.170 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(F)c2)CC1 ZINC001032602798 1341554975 /nfs/dbraw/zinc/55/49/75/1341554975.db2.gz CCDXFDTUOVPELT-OALUTQOASA-N 1 2 328.431 3.357 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(F)c2)CC1 ZINC001032602798 1341554977 /nfs/dbraw/zinc/55/49/77/1341554977.db2.gz CCDXFDTUOVPELT-OALUTQOASA-N 1 2 328.431 3.357 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOc1ccccc1F ZINC001032607172 1341557086 /nfs/dbraw/zinc/55/70/86/1341557086.db2.gz GHJDORYKXLDMMC-FTRWYGJKSA-N 1 2 346.446 3.092 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOc1ccccc1F ZINC001032607172 1341557088 /nfs/dbraw/zinc/55/70/88/1341557088.db2.gz GHJDORYKXLDMMC-FTRWYGJKSA-N 1 2 346.446 3.092 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc([C@@H]3CCOC3)c2)C1 ZINC001033214697 1341754764 /nfs/dbraw/zinc/75/47/64/1341754764.db2.gz PSANYDBPLIWPQE-MSOLQXFVSA-N 1 2 348.874 3.089 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc([C@@H]3CCOC3)c2)C1 ZINC001033214697 1341754766 /nfs/dbraw/zinc/75/47/66/1341754766.db2.gz PSANYDBPLIWPQE-MSOLQXFVSA-N 1 2 348.874 3.089 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(F)c3ncccc3c2)C1 ZINC001033509799 1341851689 /nfs/dbraw/zinc/85/16/89/1341851689.db2.gz SVGCMLQQFIRVEG-HNNXBMFYSA-N 1 2 347.821 3.273 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(F)c3ncccc3c2)C1 ZINC001033509799 1341851690 /nfs/dbraw/zinc/85/16/90/1341851690.db2.gz SVGCMLQQFIRVEG-HNNXBMFYSA-N 1 2 347.821 3.273 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2csc(C(C)C)n2)C1 ZINC001033515370 1341854539 /nfs/dbraw/zinc/85/45/39/1341854539.db2.gz VZTGJAXCKXDTSW-LBPRGKRZSA-N 1 2 327.881 3.165 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2csc(C(C)C)n2)C1 ZINC001033515370 1341854534 /nfs/dbraw/zinc/85/45/34/1341854534.db2.gz VZTGJAXCKXDTSW-LBPRGKRZSA-N 1 2 327.881 3.165 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnn([C@H](C)CC)c2C)C1 ZINC001033568834 1341877434 /nfs/dbraw/zinc/87/74/34/1341877434.db2.gz NRKLRHCAXYJQHH-UKRRQHHQSA-N 1 2 338.883 3.061 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn([C@H](C)CC)c2C)C1 ZINC001033568834 1341877436 /nfs/dbraw/zinc/87/74/36/1341877436.db2.gz NRKLRHCAXYJQHH-UKRRQHHQSA-N 1 2 338.883 3.061 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2c(F)cccc2Cl)C1 ZINC001033604171 1341895245 /nfs/dbraw/zinc/89/52/45/1341895245.db2.gz CCPUFLJFZSFDQS-NSHDSACASA-N 1 2 331.218 3.378 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2c(F)cccc2Cl)C1 ZINC001033604171 1341895247 /nfs/dbraw/zinc/89/52/47/1341895247.db2.gz CCPUFLJFZSFDQS-NSHDSACASA-N 1 2 331.218 3.378 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(OCC3CC3)cc2)C1 ZINC001033667763 1341936142 /nfs/dbraw/zinc/93/61/42/1341936142.db2.gz BOHXEJSBDWTQHX-KRWDZBQOSA-N 1 2 348.874 3.374 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(OCC3CC3)cc2)C1 ZINC001033667763 1341936144 /nfs/dbraw/zinc/93/61/44/1341936144.db2.gz BOHXEJSBDWTQHX-KRWDZBQOSA-N 1 2 348.874 3.374 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC001034246447 1342344492 /nfs/dbraw/zinc/34/44/92/1342344492.db2.gz DOCOEALDYXGASN-CYBMUJFWSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC001034246447 1342344497 /nfs/dbraw/zinc/34/44/97/1342344497.db2.gz DOCOEALDYXGASN-CYBMUJFWSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2nc(C)sc2C)C1 ZINC001034268170 1342359327 /nfs/dbraw/zinc/35/93/27/1342359327.db2.gz GWPWMGZVNIMKMQ-ZDUSSCGKSA-N 1 2 327.881 3.097 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2nc(C)sc2C)C1 ZINC001034268170 1342359328 /nfs/dbraw/zinc/35/93/28/1342359328.db2.gz GWPWMGZVNIMKMQ-ZDUSSCGKSA-N 1 2 327.881 3.097 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001034304259 1342386290 /nfs/dbraw/zinc/38/62/90/1342386290.db2.gz QMUNPKLTEILJST-OAHLLOKOSA-N 1 2 346.862 3.208 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001034304259 1342386293 /nfs/dbraw/zinc/38/62/93/1342386293.db2.gz QMUNPKLTEILJST-OAHLLOKOSA-N 1 2 346.862 3.208 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(F)c(F)c2F)C1 ZINC001034371122 1342440879 /nfs/dbraw/zinc/44/08/79/1342440879.db2.gz FDPRTJHVQMTFTL-NSHDSACASA-N 1 2 346.780 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(F)c(F)c2F)C1 ZINC001034371122 1342440880 /nfs/dbraw/zinc/44/08/80/1342440880.db2.gz FDPRTJHVQMTFTL-NSHDSACASA-N 1 2 346.780 3.441 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@@H+]([C@H](C)c3nnc(C)o3)C2)CC1 ZINC001034379908 1342449280 /nfs/dbraw/zinc/44/92/80/1342449280.db2.gz GVZCRJUZGJTXFF-PBHICJAKSA-N 1 2 346.475 3.156 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@H+]([C@H](C)c3nnc(C)o3)C2)CC1 ZINC001034379908 1342449282 /nfs/dbraw/zinc/44/92/82/1342449282.db2.gz GVZCRJUZGJTXFF-PBHICJAKSA-N 1 2 346.475 3.156 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@@H+]([C@@H](C)c3ncccn3)C2)CC1 ZINC001034383672 1342452447 /nfs/dbraw/zinc/45/24/47/1342452447.db2.gz ZDNGWTLMYLWTCT-WMZOPIPTSA-N 1 2 342.487 3.255 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@H+]([C@@H](C)c3ncccn3)C2)CC1 ZINC001034383672 1342452451 /nfs/dbraw/zinc/45/24/51/1342452451.db2.gz ZDNGWTLMYLWTCT-WMZOPIPTSA-N 1 2 342.487 3.255 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@@H+](Cc3ccn(C(C)C)n3)C2)C1 ZINC001034388025 1342457663 /nfs/dbraw/zinc/45/76/63/1342457663.db2.gz BACPRFQCHCMZAG-KRWDZBQOSA-N 1 2 344.503 3.291 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@H+](Cc3ccn(C(C)C)n3)C2)C1 ZINC001034388025 1342457668 /nfs/dbraw/zinc/45/76/68/1342457668.db2.gz BACPRFQCHCMZAG-KRWDZBQOSA-N 1 2 344.503 3.291 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001034391126 1342460074 /nfs/dbraw/zinc/46/00/74/1342460074.db2.gz VURIOAGFZASCTR-QLFBSQMISA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001034391126 1342460075 /nfs/dbraw/zinc/46/00/75/1342460075.db2.gz VURIOAGFZASCTR-QLFBSQMISA-N 1 2 343.309 3.302 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@@H+](Cc3nc(C)c(C)o3)C2)C1 ZINC001034390408 1342460839 /nfs/dbraw/zinc/46/08/39/1342460839.db2.gz ZWMGYEJJQDMBPQ-MRXNPFEDSA-N 1 2 331.460 3.118 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@H+](Cc3nc(C)c(C)o3)C2)C1 ZINC001034390408 1342460843 /nfs/dbraw/zinc/46/08/43/1342460843.db2.gz ZWMGYEJJQDMBPQ-MRXNPFEDSA-N 1 2 331.460 3.118 20 30 EGEDLO C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C(F)C(F)(F)F)CC2 ZINC001035188181 1343001831 /nfs/dbraw/zinc/00/18/31/1343001831.db2.gz SRVJAMIWSAAZGG-CYBMUJFWSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C(F)C(F)(F)F)CC2 ZINC001035188181 1343001836 /nfs/dbraw/zinc/00/18/36/1343001836.db2.gz SRVJAMIWSAAZGG-CYBMUJFWSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](F)C(F)(F)F)CC2 ZINC001035188181 1343001839 /nfs/dbraw/zinc/00/18/39/1343001839.db2.gz SRVJAMIWSAAZGG-CYBMUJFWSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](F)C(F)(F)F)CC2 ZINC001035188181 1343001844 /nfs/dbraw/zinc/00/18/44/1343001844.db2.gz SRVJAMIWSAAZGG-CYBMUJFWSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC(F)(F)C1)CC2 ZINC001035723443 1343153474 /nfs/dbraw/zinc/15/34/74/1343153474.db2.gz VJSXMIXIWCPXLB-CYBMUJFWSA-N 1 2 332.822 3.099 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[C@@H](C)c1ccco1)CC2 ZINC001035837916 1343220302 /nfs/dbraw/zinc/22/03/02/1343220302.db2.gz HUVXFKWVDDJNDR-CQSZACIVSA-N 1 2 336.863 3.450 20 30 EGEDLO C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038140854 1344294565 /nfs/dbraw/zinc/29/45/65/1344294565.db2.gz RKPQHPWYQGEGSJ-MLGOLLRUSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038140854 1344294570 /nfs/dbraw/zinc/29/45/70/1344294570.db2.gz RKPQHPWYQGEGSJ-MLGOLLRUSA-N 1 2 342.830 3.105 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cscc2Cl)c1 ZINC001038381062 1344403574 /nfs/dbraw/zinc/40/35/74/1344403574.db2.gz SZPABBYXPNAUPI-AWEZNQCLSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cscc2Cl)c1 ZINC001038381062 1344403576 /nfs/dbraw/zinc/40/35/76/1344403576.db2.gz SZPABBYXPNAUPI-AWEZNQCLSA-N 1 2 345.855 3.277 20 30 EGEDLO Cc1oc(C)c(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)c1C ZINC001038484412 1344445996 /nfs/dbraw/zinc/44/59/96/1344445996.db2.gz JNUFEJONCFTTAR-SFHVURJKSA-N 1 2 337.423 3.081 20 30 EGEDLO Cc1oc(C)c(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)c1C ZINC001038484412 1344445998 /nfs/dbraw/zinc/44/59/98/1344445998.db2.gz JNUFEJONCFTTAR-SFHVURJKSA-N 1 2 337.423 3.081 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2cc(C)ccc2F)cc1 ZINC001038583813 1344494336 /nfs/dbraw/zinc/49/43/36/1344494336.db2.gz ZJKQHSLFRNUVBQ-LJQANCHMSA-N 1 2 336.410 3.120 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cc(C)ccc2F)cc1 ZINC001038583813 1344494339 /nfs/dbraw/zinc/49/43/39/1344494339.db2.gz ZJKQHSLFRNUVBQ-LJQANCHMSA-N 1 2 336.410 3.120 20 30 EGEDLO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)sc1C ZINC001039005176 1344712367 /nfs/dbraw/zinc/71/23/67/1344712367.db2.gz KMGPMYYPURMCPD-KRWDZBQOSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1cc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)sc1C ZINC001039005176 1344712369 /nfs/dbraw/zinc/71/23/69/1344712369.db2.gz KMGPMYYPURMCPD-KRWDZBQOSA-N 1 2 339.464 3.241 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CC ZINC001039335121 1345019475 /nfs/dbraw/zinc/01/94/75/1345019475.db2.gz RTPQYGGFQOTEMH-YUTCNCBUSA-N 1 2 329.282 3.006 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CC ZINC001039335121 1345019478 /nfs/dbraw/zinc/01/94/78/1345019478.db2.gz RTPQYGGFQOTEMH-YUTCNCBUSA-N 1 2 329.282 3.006 20 30 EGEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C(F)F)c1 ZINC001039530877 1345131743 /nfs/dbraw/zinc/13/17/43/1345131743.db2.gz DPTDIZCDEBAAFA-RRQGHBQHSA-N 1 2 347.409 3.349 20 30 EGEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C(F)F)c1 ZINC001039530877 1345131746 /nfs/dbraw/zinc/13/17/46/1345131746.db2.gz DPTDIZCDEBAAFA-RRQGHBQHSA-N 1 2 347.409 3.349 20 30 EGEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1Cl ZINC001039530861 1345131958 /nfs/dbraw/zinc/13/19/58/1345131958.db2.gz DJMPVRKJZHQNIB-CWRNSKLLSA-N 1 2 331.847 3.065 20 30 EGEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1Cl ZINC001039530861 1345131959 /nfs/dbraw/zinc/13/19/59/1345131959.db2.gz DJMPVRKJZHQNIB-CWRNSKLLSA-N 1 2 331.847 3.065 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H](CNc3cc[nH+]c(C)n3)[C@H](C)C2)CC1 ZINC001040448567 1345505721 /nfs/dbraw/zinc/50/57/21/1345505721.db2.gz RGFUAYFXZYCGOZ-CRAIPNDOSA-N 1 2 342.487 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3sccc3F)C[C@@H]21 ZINC001042038382 1345929125 /nfs/dbraw/zinc/92/91/25/1345929125.db2.gz MNLVVEHWVDZGEP-AAEUAGOBSA-N 1 2 328.840 3.176 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3sccc3F)C[C@@H]21 ZINC001042038382 1345929123 /nfs/dbraw/zinc/92/91/23/1345929123.db2.gz MNLVVEHWVDZGEP-AAEUAGOBSA-N 1 2 328.840 3.176 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2CCN(C(=O)C3(CC)CC3)C[C@H]21 ZINC001042220757 1345991983 /nfs/dbraw/zinc/99/19/83/1345991983.db2.gz FEGNLBLRYFSSTQ-UONOGXRCSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CCN(C(=O)C3(CC)CC3)C[C@H]21 ZINC001042220757 1345991985 /nfs/dbraw/zinc/99/19/85/1345991985.db2.gz FEGNLBLRYFSSTQ-UONOGXRCSA-N 1 2 341.293 3.008 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001043431295 1346176768 /nfs/dbraw/zinc/17/67/68/1346176768.db2.gz JPAOTCVLYWLLHC-IUODEOHRSA-N 1 2 328.460 3.133 20 30 EGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1C[NH+](Cc2ccc(C)cc2)C1 ZINC001044025708 1346235925 /nfs/dbraw/zinc/23/59/25/1346235925.db2.gz FMZHBMRXBSKSQB-PMACEKPBSA-N 1 2 342.483 3.009 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)c2cc(C)co2)CC1 ZINC001045529048 1346618759 /nfs/dbraw/zinc/61/87/59/1346618759.db2.gz HSIMTZKCDGTMDQ-UHFFFAOYSA-N 1 2 341.249 3.081 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nccn1CC ZINC001045824330 1346709027 /nfs/dbraw/zinc/70/90/27/1346709027.db2.gz GETJWISAEYFXMQ-SJORKVTESA-N 1 2 344.503 3.071 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1nccn1CC ZINC001045824330 1346709029 /nfs/dbraw/zinc/70/90/29/1346709029.db2.gz GETJWISAEYFXMQ-SJORKVTESA-N 1 2 344.503 3.071 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC001046318847 1346933547 /nfs/dbraw/zinc/93/35/47/1346933547.db2.gz GZCONULSBKPHLK-GOSISDBHSA-N 1 2 335.879 3.326 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC001046318847 1346933548 /nfs/dbraw/zinc/93/35/48/1346933548.db2.gz GZCONULSBKPHLK-GOSISDBHSA-N 1 2 335.879 3.326 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3cc(OC)ccc32)C1 ZINC001046362678 1346950033 /nfs/dbraw/zinc/95/00/33/1346950033.db2.gz UFROFCUSXBRYFQ-HKUYNNGSSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3cc(OC)ccc32)C1 ZINC001046362678 1346950036 /nfs/dbraw/zinc/95/00/36/1346950036.db2.gz UFROFCUSXBRYFQ-HKUYNNGSSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cccc(OCCC)c2)C1 ZINC001046362479 1346950175 /nfs/dbraw/zinc/95/01/75/1346950175.db2.gz RUORVEBQTYLWEP-SFHVURJKSA-N 1 2 336.863 3.422 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cccc(OCCC)c2)C1 ZINC001046362479 1346950179 /nfs/dbraw/zinc/95/01/79/1346950179.db2.gz RUORVEBQTYLWEP-SFHVURJKSA-N 1 2 336.863 3.422 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2csc(C(C)(C)C)n2)C1 ZINC001046701534 1347066754 /nfs/dbraw/zinc/06/67/54/1347066754.db2.gz JOFKCDSYRVKVGC-INIZCTEOSA-N 1 2 341.908 3.387 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2csc(C(C)(C)C)n2)C1 ZINC001046701534 1347066755 /nfs/dbraw/zinc/06/67/55/1347066755.db2.gz JOFKCDSYRVKVGC-INIZCTEOSA-N 1 2 341.908 3.387 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(-c3c[nH]cn3)cc2)C1 ZINC001046746457 1347080733 /nfs/dbraw/zinc/08/07/33/1347080733.db2.gz KFSRCZKIZFPQKR-SFHVURJKSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(-c3c[nH]cn3)cc2)C1 ZINC001046746457 1347080737 /nfs/dbraw/zinc/08/07/37/1347080737.db2.gz KFSRCZKIZFPQKR-SFHVURJKSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(C(F)(F)F)ccn2)C1 ZINC001046748485 1347081528 /nfs/dbraw/zinc/08/15/28/1347081528.db2.gz OUJUESJPOYNDAI-CQSZACIVSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C(F)(F)F)ccn2)C1 ZINC001046748485 1347081530 /nfs/dbraw/zinc/08/15/30/1347081530.db2.gz OUJUESJPOYNDAI-CQSZACIVSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001046868912 1347139581 /nfs/dbraw/zinc/13/95/81/1347139581.db2.gz JCFVTHXCDFGBPV-JZXOWHBKSA-N 1 2 336.838 3.262 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001046868912 1347139584 /nfs/dbraw/zinc/13/95/84/1347139584.db2.gz JCFVTHXCDFGBPV-JZXOWHBKSA-N 1 2 336.838 3.262 20 30 EGEDLO C[C@@]1(NC(=O)c2ccc(F)s2)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046868634 1347139599 /nfs/dbraw/zinc/13/95/99/1347139599.db2.gz XXCMTLADMJHIEZ-LJQANCHMSA-N 1 2 342.439 3.133 20 30 EGEDLO C[C@@]1(NC(=O)c2ccc(F)s2)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046868634 1347139601 /nfs/dbraw/zinc/13/96/01/1347139601.db2.gz XXCMTLADMJHIEZ-LJQANCHMSA-N 1 2 342.439 3.133 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(N(C)C(C)C)cc2)C1 ZINC001046870763 1347139925 /nfs/dbraw/zinc/13/99/25/1347139925.db2.gz QSQUKRGMKRULQP-LJQANCHMSA-N 1 2 349.906 3.478 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(N(C)C(C)C)cc2)C1 ZINC001046870763 1347139927 /nfs/dbraw/zinc/13/99/27/1347139927.db2.gz QSQUKRGMKRULQP-LJQANCHMSA-N 1 2 349.906 3.478 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cccc(F)c2)C1 ZINC001046912829 1347151255 /nfs/dbraw/zinc/15/12/55/1347151255.db2.gz PYEIMCHIKBZOND-ZDUSSCGKSA-N 1 2 346.780 3.265 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cccc(F)c2)C1 ZINC001046912829 1347151256 /nfs/dbraw/zinc/15/12/56/1347151256.db2.gz PYEIMCHIKBZOND-ZDUSSCGKSA-N 1 2 346.780 3.265 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC001079717642 1357356199 /nfs/dbraw/zinc/35/61/99/1357356199.db2.gz SUXSAJBAEHSNKW-MLGOLLRUSA-N 1 2 335.879 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC001079717642 1357356204 /nfs/dbraw/zinc/35/62/04/1357356204.db2.gz SUXSAJBAEHSNKW-MLGOLLRUSA-N 1 2 335.879 3.182 20 30 EGEDLO CC(C)(F)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001049284233 1347769911 /nfs/dbraw/zinc/76/99/11/1347769911.db2.gz IXTFKBJTCWFSOT-SJORKVTESA-N 1 2 347.409 3.011 20 30 EGEDLO CC(C)(F)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001049284233 1347769914 /nfs/dbraw/zinc/76/99/14/1347769914.db2.gz IXTFKBJTCWFSOT-SJORKVTESA-N 1 2 347.409 3.011 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1nccs1 ZINC001049632942 1347944452 /nfs/dbraw/zinc/94/44/52/1347944452.db2.gz CTHAQMBRIGCQTA-LSDHHAIUSA-N 1 2 333.501 3.311 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1nccs1 ZINC001049632942 1347944455 /nfs/dbraw/zinc/94/44/55/1347944455.db2.gz CTHAQMBRIGCQTA-LSDHHAIUSA-N 1 2 333.501 3.311 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc(C)on1 ZINC001049693880 1347976391 /nfs/dbraw/zinc/97/63/91/1347976391.db2.gz POOVVXZLASSUNS-ZIFCJYIRSA-N 1 2 331.460 3.151 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(C)on1 ZINC001049693880 1347976392 /nfs/dbraw/zinc/97/63/92/1347976392.db2.gz POOVVXZLASSUNS-ZIFCJYIRSA-N 1 2 331.460 3.151 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(OC)cs3)[C@@H]2C1 ZINC001050112522 1348186337 /nfs/dbraw/zinc/18/63/37/1348186337.db2.gz YJWBANVTSNZHRH-GXTWGEPZSA-N 1 2 340.876 3.046 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(OC)cs3)[C@@H]2C1 ZINC001050112522 1348186339 /nfs/dbraw/zinc/18/63/39/1348186339.db2.gz YJWBANVTSNZHRH-GXTWGEPZSA-N 1 2 340.876 3.046 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1c(Cl)oc2ccccc21 ZINC001051082281 1348389894 /nfs/dbraw/zinc/38/98/94/1348389894.db2.gz XRYNBSOATBZXGL-CYBMUJFWSA-N 1 2 348.830 3.093 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1c(Cl)oc2ccccc21 ZINC001051082281 1348389896 /nfs/dbraw/zinc/38/98/96/1348389896.db2.gz XRYNBSOATBZXGL-CYBMUJFWSA-N 1 2 348.830 3.093 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(C(C)C)s1 ZINC001051263425 1348411760 /nfs/dbraw/zinc/41/17/60/1348411760.db2.gz XNPBITDAWYALQA-OAHLLOKOSA-N 1 2 336.501 3.268 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(C(C)C)s1 ZINC001051263425 1348411763 /nfs/dbraw/zinc/41/17/63/1348411763.db2.gz XNPBITDAWYALQA-OAHLLOKOSA-N 1 2 336.501 3.268 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)c3[nH]ccc3C)cccc2C1 ZINC001051288556 1348419413 /nfs/dbraw/zinc/41/94/13/1348419413.db2.gz RJZYWKOQCUQIGF-UHFFFAOYSA-N 1 2 343.858 3.364 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)c3[nH]ccc3C)cccc2C1 ZINC001051288556 1348419414 /nfs/dbraw/zinc/41/94/14/1348419414.db2.gz RJZYWKOQCUQIGF-UHFFFAOYSA-N 1 2 343.858 3.364 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)C1CCC1 ZINC001079941221 1357432373 /nfs/dbraw/zinc/43/23/73/1357432373.db2.gz AKSNKKHZTXBOBA-BIENJYKASA-N 1 2 343.446 3.070 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)C1CCC1 ZINC001079941221 1357432375 /nfs/dbraw/zinc/43/23/75/1357432375.db2.gz AKSNKKHZTXBOBA-BIENJYKASA-N 1 2 343.446 3.070 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CCC1CCCCCC1)CCO2 ZINC001053342646 1349007830 /nfs/dbraw/zinc/00/78/30/1349007830.db2.gz JPGQMBZMYAUQKY-UHFFFAOYSA-N 1 2 334.504 3.226 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCOC2(C[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC001053412635 1349024088 /nfs/dbraw/zinc/02/40/88/1349024088.db2.gz ZBUSOYZILLGRQU-PXNSSMCTSA-N 1 2 342.483 3.263 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCC=CCCC1)O2 ZINC001053614266 1349078428 /nfs/dbraw/zinc/07/84/28/1349078428.db2.gz IBYMJNISHSQHKM-MSOLQXFVSA-N 1 2 332.488 3.049 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc3ccccc3s1)O2 ZINC001053624609 1349079802 /nfs/dbraw/zinc/07/98/02/1349079802.db2.gz XQCJSSHRAPAFDN-HNNXBMFYSA-N 1 2 342.464 3.051 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C)c(CC)s1)O2 ZINC001053696331 1349096342 /nfs/dbraw/zinc/09/63/42/1349096342.db2.gz GGPDNMNXFVADRP-HNNXBMFYSA-N 1 2 348.512 3.158 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)C1CCCCC1)CO2 ZINC001053950129 1349125712 /nfs/dbraw/zinc/12/57/12/1349125712.db2.gz VKEONEYWEDKAOD-KRWDZBQOSA-N 1 2 334.504 3.129 20 30 EGEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccoc1Cl ZINC001054038561 1349134342 /nfs/dbraw/zinc/13/43/42/1349134342.db2.gz FPXICROZEFZKKP-MRXNPFEDSA-N 1 2 342.826 3.113 20 30 EGEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccoc1Cl ZINC001054038561 1349134344 /nfs/dbraw/zinc/13/43/44/1349134344.db2.gz FPXICROZEFZKKP-MRXNPFEDSA-N 1 2 342.826 3.113 20 30 EGEDLO CC(=O)NCc1ccc2c(c1)C[N@@H+](CC#Cc1ccc(Cl)cc1)C2 ZINC001054251059 1349246324 /nfs/dbraw/zinc/24/63/24/1349246324.db2.gz PYIYCNGOLGIDIE-UHFFFAOYSA-N 1 2 338.838 3.343 20 30 EGEDLO CC(=O)NCc1ccc2c(c1)C[N@H+](CC#Cc1ccc(Cl)cc1)C2 ZINC001054251059 1349246327 /nfs/dbraw/zinc/24/63/27/1349246327.db2.gz PYIYCNGOLGIDIE-UHFFFAOYSA-N 1 2 338.838 3.343 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cncc4sccc43)cc2C1 ZINC001054278070 1349279035 /nfs/dbraw/zinc/27/90/35/1349279035.db2.gz KYFGBBFRLACRDB-UHFFFAOYSA-N 1 2 347.443 3.175 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cncc4sccc43)cc2C1 ZINC001054278070 1349279037 /nfs/dbraw/zinc/27/90/37/1349279037.db2.gz KYFGBBFRLACRDB-UHFFFAOYSA-N 1 2 347.443 3.175 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccccc3OC(C)C)cc2C1 ZINC001054290700 1349295627 /nfs/dbraw/zinc/29/56/27/1349295627.db2.gz UTUCVDBCFRHGIX-UHFFFAOYSA-N 1 2 348.446 3.353 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccccc3OC(C)C)cc2C1 ZINC001054290700 1349295632 /nfs/dbraw/zinc/29/56/32/1349295632.db2.gz UTUCVDBCFRHGIX-UHFFFAOYSA-N 1 2 348.446 3.353 20 30 EGEDLO C#C[C@@H]1CCC[N@@H+](Cc2c(OC)cc(Br)cc2OC)C1 ZINC001232697096 1376505181 /nfs/dbraw/zinc/50/51/81/1376505181.db2.gz LCTWYBZCPNSZGU-GFCCVEGCSA-N 1 2 338.245 3.312 20 30 EGEDLO C#C[C@@H]1CCC[N@H+](Cc2c(OC)cc(Br)cc2OC)C1 ZINC001232697096 1376505185 /nfs/dbraw/zinc/50/51/85/1376505185.db2.gz LCTWYBZCPNSZGU-GFCCVEGCSA-N 1 2 338.245 3.312 20 30 EGEDLO CC(C)c1cc(N[C@H]2CCN(C(=O)C#CC3CC3)C2)nc(C(C)C)[nH+]1 ZINC001058889503 1350307051 /nfs/dbraw/zinc/30/70/51/1350307051.db2.gz SDLKWBLCGZJWRL-INIZCTEOSA-N 1 2 340.471 3.150 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001060274568 1350811050 /nfs/dbraw/zinc/81/10/50/1350811050.db2.gz MENZFPARXWXKRJ-CQSZACIVSA-N 1 2 336.867 3.357 20 30 EGEDLO CC(C)c1cc(NC[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)nc(C(C)C)[nH+]1 ZINC001060826470 1351139293 /nfs/dbraw/zinc/13/92/93/1351139293.db2.gz YPBIPCJATUHXJD-GJZGRUSLSA-N 1 2 343.475 3.143 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@]2(CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001066872596 1353261047 /nfs/dbraw/zinc/26/10/47/1353261047.db2.gz SIVFUAFIEUGLQE-WOJBJXKFSA-N 1 2 342.487 3.206 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@@H](C)[C@@H](Nc3cc(C)[nH+]c(C4CC4)n3)C2)C1 ZINC001067203210 1353338423 /nfs/dbraw/zinc/33/84/23/1353338423.db2.gz URNXRJXGCYRECC-CJNGLKHVSA-N 1 2 340.471 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C(F)F)cc2)C1 ZINC001080625245 1357705226 /nfs/dbraw/zinc/70/52/26/1357705226.db2.gz YMEFHGMWZAFOEV-QMTHXVAHSA-N 1 2 328.790 3.427 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C(F)F)cc2)C1 ZINC001080625245 1357705229 /nfs/dbraw/zinc/70/52/29/1357705229.db2.gz YMEFHGMWZAFOEV-QMTHXVAHSA-N 1 2 328.790 3.427 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(F)c2OCC)C1 ZINC001080679396 1357721079 /nfs/dbraw/zinc/72/10/79/1357721079.db2.gz CHMCWQDBZFTXNO-IAQYHMDHSA-N 1 2 340.826 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(F)c2OCC)C1 ZINC001080679396 1357721081 /nfs/dbraw/zinc/72/10/81/1357721081.db2.gz CHMCWQDBZFTXNO-IAQYHMDHSA-N 1 2 340.826 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccccc1C)C[C@H](C)O2 ZINC001071129769 1354468653 /nfs/dbraw/zinc/46/86/53/1354468653.db2.gz QXJOAFQIDDURAR-QFBILLFUSA-N 1 2 348.874 3.053 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccccc1C)C[C@H](C)O2 ZINC001071129769 1354468656 /nfs/dbraw/zinc/46/86/56/1354468656.db2.gz QXJOAFQIDDURAR-QFBILLFUSA-N 1 2 348.874 3.053 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)CC2CCCC2)CC[C@@H]1C ZINC001071321057 1354586013 /nfs/dbraw/zinc/58/60/13/1354586013.db2.gz CGPSEXPETIKZCP-ZFWWWQNUSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)CC2CCCC2)CC[C@@H]1C ZINC001071321057 1354586015 /nfs/dbraw/zinc/58/60/15/1354586015.db2.gz CGPSEXPETIKZCP-ZFWWWQNUSA-N 1 2 343.309 3.444 20 30 EGEDLO CC(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001071359344 1354628097 /nfs/dbraw/zinc/62/80/97/1354628097.db2.gz RNLCLZFEPOZJIV-WBVHZDCISA-N 1 2 332.875 3.317 20 30 EGEDLO CC(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001071359344 1354628100 /nfs/dbraw/zinc/62/81/00/1354628100.db2.gz RNLCLZFEPOZJIV-WBVHZDCISA-N 1 2 332.875 3.317 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C2=CCCC2)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC001071417537 1354682777 /nfs/dbraw/zinc/68/27/77/1354682777.db2.gz VXEOGTGNUYGTDH-LIRRHRJNSA-N 1 2 341.430 3.277 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C2=CCCC2)C[N@H+]1Cc1cc(F)ccc1C#N ZINC001071417537 1354682781 /nfs/dbraw/zinc/68/27/81/1354682781.db2.gz VXEOGTGNUYGTDH-LIRRHRJNSA-N 1 2 341.430 3.277 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2-c2ccccc2)[C@H]1C ZINC001088778902 1360040060 /nfs/dbraw/zinc/04/00/60/1360040060.db2.gz AYBVIKYOULYRCB-CJNGLKHVSA-N 1 2 344.846 3.022 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2-c2ccccc2)[C@H]1C ZINC001088778902 1360040061 /nfs/dbraw/zinc/04/00/61/1360040061.db2.gz AYBVIKYOULYRCB-CJNGLKHVSA-N 1 2 344.846 3.022 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cccc(Cl)c2F)[C@H]1C ZINC001088881233 1360088239 /nfs/dbraw/zinc/08/82/39/1360088239.db2.gz FHCSELMSCDSPDX-RISCZKNCSA-N 1 2 345.245 3.353 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cccc(Cl)c2F)[C@H]1C ZINC001088881233 1360088244 /nfs/dbraw/zinc/08/82/44/1360088244.db2.gz FHCSELMSCDSPDX-RISCZKNCSA-N 1 2 345.245 3.353 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2noc3ccccc23)CC[C@H]1C ZINC001071662331 1354833546 /nfs/dbraw/zinc/83/35/46/1354833546.db2.gz CCGBSHRNTWKDHL-ZIAGYGMSSA-N 1 2 347.846 3.092 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2noc3ccccc23)CC[C@H]1C ZINC001071662331 1354833549 /nfs/dbraw/zinc/83/35/49/1354833549.db2.gz CCGBSHRNTWKDHL-ZIAGYGMSSA-N 1 2 347.846 3.092 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc(C)n(CC)c2C)CC[C@@H]1C ZINC001071663406 1354834558 /nfs/dbraw/zinc/83/45/58/1354834558.db2.gz MWNGQHPDGNWFEG-XJKSGUPXSA-N 1 2 337.895 3.460 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc(C)n(CC)c2C)CC[C@@H]1C ZINC001071663406 1354834563 /nfs/dbraw/zinc/83/45/63/1354834563.db2.gz MWNGQHPDGNWFEG-XJKSGUPXSA-N 1 2 337.895 3.460 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc(F)ccc2OC)CC[C@@H]1C ZINC001071725259 1354881469 /nfs/dbraw/zinc/88/14/69/1354881469.db2.gz SLZBMZGMSFVIOW-GXTWGEPZSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc(F)ccc2OC)CC[C@@H]1C ZINC001071725259 1354881474 /nfs/dbraw/zinc/88/14/74/1354881474.db2.gz SLZBMZGMSFVIOW-GXTWGEPZSA-N 1 2 340.826 3.170 20 30 EGEDLO Cc1coc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001071749571 1354900591 /nfs/dbraw/zinc/90/05/91/1354900591.db2.gz WLMBQDDIZZFTPA-QAPCUYQASA-N 1 2 337.423 3.243 20 30 EGEDLO Cc1coc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001071749571 1354900596 /nfs/dbraw/zinc/90/05/96/1354900596.db2.gz WLMBQDDIZZFTPA-QAPCUYQASA-N 1 2 337.423 3.243 20 30 EGEDLO Cc1ncccc1C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001071784075 1354933110 /nfs/dbraw/zinc/93/31/10/1354933110.db2.gz YIFZEXGKCLGCIK-BEFAXECRSA-N 1 2 348.450 3.045 20 30 EGEDLO Cc1ncccc1C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001071784075 1354933116 /nfs/dbraw/zinc/93/31/16/1354933116.db2.gz YIFZEXGKCLGCIK-BEFAXECRSA-N 1 2 348.450 3.045 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3cncc(F)c3)C2)C1 ZINC001071807468 1354952147 /nfs/dbraw/zinc/95/21/47/1354952147.db2.gz SNWHTWKDCUJTIS-RHSMWYFYSA-N 1 2 331.435 3.046 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3cncc(F)c3)C2)C1 ZINC001071807468 1354952148 /nfs/dbraw/zinc/95/21/48/1354952148.db2.gz SNWHTWKDCUJTIS-RHSMWYFYSA-N 1 2 331.435 3.046 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2nc(C3CC3)oc2C)CC[C@H]1C ZINC001071947141 1355037505 /nfs/dbraw/zinc/03/75/05/1355037505.db2.gz NRRGUXWJCREHRP-RISCZKNCSA-N 1 2 337.851 3.196 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2nc(C3CC3)oc2C)CC[C@H]1C ZINC001071947141 1355037507 /nfs/dbraw/zinc/03/75/07/1355037507.db2.gz NRRGUXWJCREHRP-RISCZKNCSA-N 1 2 337.851 3.196 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cn(C(C)C)nc2C)CC[C@H]1C ZINC001071983053 1355058081 /nfs/dbraw/zinc/05/80/81/1355058081.db2.gz VFFITJKLNMDHST-UKRRQHHQSA-N 1 2 338.883 3.108 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cn(C(C)C)nc2C)CC[C@H]1C ZINC001071983053 1355058083 /nfs/dbraw/zinc/05/80/83/1355058083.db2.gz VFFITJKLNMDHST-UKRRQHHQSA-N 1 2 338.883 3.108 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C(C)(C)C)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC001072016157 1355080033 /nfs/dbraw/zinc/08/00/33/1355080033.db2.gz NFJFHFGWZNUXSP-CZUORRHYSA-N 1 2 331.435 3.213 20 30 EGEDLO 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1355846241 /nfs/dbraw/zinc/84/62/41/1355846241.db2.gz TVHJAXVSUTZBIR-MRXNPFEDSA-N 1 2 348.830 3.006 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2ccc3occc3c2)C1 ZINC001073616280 1355846244 /nfs/dbraw/zinc/84/62/44/1355846244.db2.gz TVHJAXVSUTZBIR-MRXNPFEDSA-N 1 2 348.830 3.006 20 30 EGEDLO C[C@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC001074049893 1356054264 /nfs/dbraw/zinc/05/42/64/1356054264.db2.gz VMTNLDFSBHTHIU-KYNGSXCRSA-N 1 2 343.446 3.166 20 30 EGEDLO C[C@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001074049893 1356054267 /nfs/dbraw/zinc/05/42/67/1356054267.db2.gz VMTNLDFSBHTHIU-KYNGSXCRSA-N 1 2 343.446 3.166 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C3CCCCCCC3)C[C@H]21 ZINC001074291083 1356156629 /nfs/dbraw/zinc/15/66/29/1356156629.db2.gz FBHJOCPJMBLEFA-MOPGFXCFSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C3CCCCCCC3)C[C@H]21 ZINC001074291083 1356156631 /nfs/dbraw/zinc/15/66/31/1356156631.db2.gz 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C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cc3ccccc3o2)[C@H]1C ZINC001088783488 1360043624 /nfs/dbraw/zinc/04/36/24/1360043624.db2.gz XZSUKTYYZKKCQB-CJNGLKHVSA-N 1 2 332.831 3.307 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cc3ccccc3o2)[C@H]1C ZINC001088783488 1360043626 /nfs/dbraw/zinc/04/36/26/1360043626.db2.gz XZSUKTYYZKKCQB-CJNGLKHVSA-N 1 2 332.831 3.307 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cn2)[C@H]1C ZINC001088783946 1360043950 /nfs/dbraw/zinc/04/39/50/1360043950.db2.gz XZGVZXCYUKFWCJ-PWSUYJOCSA-N 1 2 347.768 3.046 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cn2)[C@H]1C ZINC001088783946 1360043952 /nfs/dbraw/zinc/04/39/52/1360043952.db2.gz XZGVZXCYUKFWCJ-PWSUYJOCSA-N 1 2 347.768 3.046 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC2(C)C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088803819 1360054480 /nfs/dbraw/zinc/05/44/80/1360054480.db2.gz WNDKWSLZAWYHOU-BVGQSLNGSA-N 1 2 343.446 3.213 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC2(C)C)CC[N@H+]1Cc1cc(F)ccc1C#N 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ZIZNVTVWAYLFEE-GUYCJALGSA-N 1 2 330.476 3.232 20 30 EGEDLO CC(C)c1ocnc1C[N@H+](C)C[C@@H]1CCCCN1C(=O)C#CC1CC1 ZINC001089174573 1360227912 /nfs/dbraw/zinc/22/79/12/1360227912.db2.gz FIYBWTBJXOEEPB-KRWDZBQOSA-N 1 2 343.471 3.024 20 30 EGEDLO CC(C)c1ocnc1C[N@@H+](C)C[C@@H]1CCCCN1C(=O)C#CC1CC1 ZINC001089174573 1360227915 /nfs/dbraw/zinc/22/79/15/1360227915.db2.gz FIYBWTBJXOEEPB-KRWDZBQOSA-N 1 2 343.471 3.024 20 30 EGEDLO C#CCCCC(=O)N[C@@H](C)C[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001089300098 1360320053 /nfs/dbraw/zinc/32/00/53/1360320053.db2.gz ZYYQEYZQZMINBB-LSDHHAIUSA-N 1 2 342.487 3.163 20 30 EGEDLO C#CCC1(C(=O)N[C@@H](C)C[C@H](C)Nc2cc[nH+]c(C)n2)CCCCC1 ZINC001089336979 1360350426 /nfs/dbraw/zinc/35/04/26/1360350426.db2.gz KGYYKCAGJRRVLF-HOTGVXAUSA-N 1 2 342.487 3.454 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)N(CC)c1nc(C)[nH+]c(C)c1C ZINC001089741243 1360645041 /nfs/dbraw/zinc/64/50/41/1360645041.db2.gz QXVYHJHVVIQBEU-YJYMSZOUSA-N 1 2 332.492 3.335 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H](CNc2cc[nH+]c(C)n2)[C@H](C)C1 ZINC001090277152 1360883771 /nfs/dbraw/zinc/88/37/71/1360883771.db2.gz PTBZXJAQMCIUAC-CRAIPNDOSA-N 1 2 342.487 3.450 20 30 EGEDLO CC(C)c1cc(N[C@H]2C[C@H](CNC(=O)[C@H](C)C#N)C2)nc(C(C)C)[nH+]1 ZINC001091444915 1361100082 /nfs/dbraw/zinc/10/00/82/1361100082.db2.gz LDCOVRAYLCBVJP-RBSFLKMASA-N 1 2 343.475 3.190 20 30 EGEDLO Cc1nc(NCC[C@@H]2[C@H](C)CCCN2C(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001091657902 1361172649 /nfs/dbraw/zinc/17/26/49/1361172649.db2.gz HXWVNMCGTISYKX-NVXWUHKLSA-N 1 2 342.487 3.264 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1CC ZINC001091806236 1361225133 /nfs/dbraw/zinc/22/51/33/1361225133.db2.gz HXHOSAYKAMMKSW-DLBZAZTESA-N 1 2 330.476 3.232 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)CC(C)(C)C1 ZINC001092088992 1361298885 /nfs/dbraw/zinc/29/88/85/1361298885.db2.gz OGHIVTXHCHGOBC-QGZVFWFLSA-N 1 2 342.487 3.090 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)CC(C)(C)C1 ZINC001092089703 1361299260 /nfs/dbraw/zinc/29/92/60/1361299260.db2.gz SXSSJQSWITWEQJ-INIZCTEOSA-N 1 2 344.503 3.499 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)CC(C)(C)C1 ZINC001092089979 1361299865 /nfs/dbraw/zinc/29/98/65/1361299865.db2.gz XNWBKDMTWBWWSE-IRXDYDNUSA-N 1 2 344.503 3.499 20 30 EGEDLO C#CCCCC(=O)N1C[C@@H](CNc2cc(C)[nH+]c(C(C)C)n2)[C@H](C)C1 ZINC001092644926 1361431748 /nfs/dbraw/zinc/43/17/48/1361431748.db2.gz BPPAESRTVQFGOL-NVXWUHKLSA-N 1 2 342.487 3.218 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001092911760 1361485550 /nfs/dbraw/zinc/48/55/50/1361485550.db2.gz KUIPIFJPDBISNB-NHAYFPRASA-N 1 2 342.487 3.176 20 30 EGEDLO C=CCC1(C(=O)NC2CC3(C2)CC(Nc2cc[nH+]c(C)n2)C3)CCC1 ZINC001093444350 1361625377 /nfs/dbraw/zinc/62/53/77/1361625377.db2.gz FPOGSKVFAFIVRE-UHFFFAOYSA-N 1 2 340.471 3.371 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C(C)(C)C(=C)Cl)CC2)C1 ZINC001093538587 1361637025 /nfs/dbraw/zinc/63/70/25/1361637025.db2.gz GHVGNYRCANUUKD-UHFFFAOYSA-N 1 2 340.895 3.033 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@]3(C)CCC[C@@H]3CC)CC2)C1 ZINC001093546538 1361639681 /nfs/dbraw/zinc/63/96/81/1361639681.db2.gz OIFLZEOJFAUMKO-LAUBAEHRSA-N 1 2 348.531 3.471 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CCCC[C@@H]3C)CC2)C1 ZINC001093564931 1361644088 /nfs/dbraw/zinc/64/40/88/1361644088.db2.gz FIPPXJRTOWXCRL-LPHOPBHVSA-N 1 2 334.504 3.081 20 30 EGEDLO C=Cc1ccc(C(=O)N2CCC(OC3C[NH+](CC(=C)C)C3)CC2)cc1 ZINC001093574280 1361647204 /nfs/dbraw/zinc/64/72/04/1361647204.db2.gz WDOZLQVIOQSMRX-UHFFFAOYSA-N 1 2 340.467 3.211 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3oc(CC)cc3C)CC2)C1 ZINC001093592058 1361651043 /nfs/dbraw/zinc/65/10/43/1361651043.db2.gz DIAWIKLDJBZDJQ-UHFFFAOYSA-N 1 2 346.471 3.032 20 30 EGEDLO C=C[C@@H](C(=O)NCCNc1cc(C)[nH+]c(C2CC2)n1)c1ccccc1 ZINC001093664596 1361670464 /nfs/dbraw/zinc/67/04/64/1361670464.db2.gz LKIBCJAGZQTLMR-QGZVFWFLSA-N 1 2 336.439 3.160 20 30 EGEDLO C=C[C@@H](CC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001095043556 1361995987 /nfs/dbraw/zinc/99/59/87/1361995987.db2.gz ZKSLSAXIEYRYJS-FUHWJXTLSA-N 1 2 336.439 3.158 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095063446 1362001792 /nfs/dbraw/zinc/00/17/92/1362001792.db2.gz UREJVJXXUONYLZ-OAHLLOKOSA-N 1 2 328.460 3.278 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H](Nc3cc(C)[nH+]c(C4CC4)n3)C2)CCC1 ZINC001095080984 1362006429 /nfs/dbraw/zinc/00/64/29/1362006429.db2.gz BOZQFLQFWHENKC-MRXNPFEDSA-N 1 2 340.471 3.422 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H](N(C)c3nc(C)[nH+]c(C)c3C)C2)CCC1 ZINC001095150918 1362033034 /nfs/dbraw/zinc/03/30/34/1362033034.db2.gz CFORAANTIXYJMS-KRWDZBQOSA-N 1 2 342.487 3.185 20 30 EGEDLO C=CCCCC(=O)N1CCC(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001095247217 1362067489 /nfs/dbraw/zinc/06/74/89/1362067489.db2.gz AQCVUVXHIGRGDH-UHFFFAOYSA-N 1 2 342.487 3.423 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H]([NH2+]Cc2ncc(C(C)(C)C)o2)C1 ZINC001184885242 1387554745 /nfs/dbraw/zinc/55/47/45/1387554745.db2.gz YOXYJQLNVZMLQR-MRXNPFEDSA-N 1 2 345.487 3.246 20 30 EGEDLO C=CCCC(=O)NCC1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001095345803 1362108103 /nfs/dbraw/zinc/10/81/03/1362108103.db2.gz LZPRNFMYVOWGCZ-UHFFFAOYSA-N 1 2 330.476 3.207 20 30 EGEDLO CCc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)o1 ZINC001095632747 1362191982 /nfs/dbraw/zinc/19/19/82/1362191982.db2.gz OAOPMXKPUKCJOS-NEWSRXKRSA-N 1 2 349.434 3.249 20 30 EGEDLO CCc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)o1 ZINC001095632747 1362191985 /nfs/dbraw/zinc/19/19/85/1362191985.db2.gz OAOPMXKPUKCJOS-NEWSRXKRSA-N 1 2 349.434 3.249 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001095649626 1362196232 /nfs/dbraw/zinc/19/62/32/1362196232.db2.gz HFMYQGAQNCYEPD-UHFFFAOYSA-N 1 2 330.476 3.207 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ccccc3n1C)C2 ZINC001095938468 1362294534 /nfs/dbraw/zinc/29/45/34/1362294534.db2.gz ZZVUNWYVTWNZRL-VYDXJSESSA-N 1 2 343.858 3.266 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ccccc3n1C)C2 ZINC001095938468 1362294537 /nfs/dbraw/zinc/29/45/37/1362294537.db2.gz ZZVUNWYVTWNZRL-VYDXJSESSA-N 1 2 343.858 3.266 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCCN(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001095947388 1362300266 /nfs/dbraw/zinc/30/02/66/1362300266.db2.gz LDZRCBFOATXFIB-GOEBONIOSA-N 1 2 344.503 3.453 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCCCN(c1nc(C)[nH+]c(C)c1C)C1CC1 ZINC001096066012 1362362660 /nfs/dbraw/zinc/36/26/60/1362362660.db2.gz QBFHRWZTJCTIBO-KBPBESRZSA-N 1 2 344.503 3.335 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)c1ccccc1F)C2 ZINC001096194746 1362424960 /nfs/dbraw/zinc/42/49/60/1362424960.db2.gz CYOXFPQCOYHMIF-OMNBBPDLSA-N 1 2 336.838 3.403 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)c1ccccc1F)C2 ZINC001096194746 1362424962 /nfs/dbraw/zinc/42/49/62/1362424962.db2.gz CYOXFPQCOYHMIF-OMNBBPDLSA-N 1 2 336.838 3.403 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096222881 1362439996 /nfs/dbraw/zinc/43/99/96/1362439996.db2.gz AQXSXYXYDFFNAB-HNNXBMFYSA-N 1 2 330.476 3.206 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096225196 1362441932 /nfs/dbraw/zinc/44/19/32/1362441932.db2.gz YESMPFNCUOHLIA-MRXNPFEDSA-N 1 2 330.476 3.350 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CCCN(c3nc(C)[nH+]c(C)c3C)C2)CC1 ZINC001096233683 1362446390 /nfs/dbraw/zinc/44/63/90/1362446390.db2.gz ZHYWETBYWGJOBY-QGZVFWFLSA-N 1 2 342.487 3.233 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC13CCCC3)C2 ZINC001096286860 1362455084 /nfs/dbraw/zinc/45/50/84/1362455084.db2.gz LWYQIAFYHVHSDE-FYQPLNBISA-N 1 2 349.478 3.360 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC13CCCC3)C2 ZINC001096286860 1362455086 /nfs/dbraw/zinc/45/50/86/1362455086.db2.gz LWYQIAFYHVHSDE-FYQPLNBISA-N 1 2 349.478 3.360 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CCN(c3cc(C)[nH+]c(C(C)C)n3)C2)CC1 ZINC001096478506 1362528669 /nfs/dbraw/zinc/52/86/69/1362528669.db2.gz KZLRYYTWWIWMIJ-MRXNPFEDSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC12CCN(c1cc[nH+]c(C)n1)CC2 ZINC001096524822 1362552787 /nfs/dbraw/zinc/55/27/87/1362552787.db2.gz CLIHTLAJTWBNGH-KRWDZBQOSA-N 1 2 340.471 3.029 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@@H](CN(C)c3cc[nH+]c(C)n3)C2)CCC1 ZINC001096874778 1362762250 /nfs/dbraw/zinc/76/22/50/1362762250.db2.gz ASJHWNIFFXOPDT-KRWDZBQOSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CCCC1(C(=O)N2CCC[C@H](CN(C)c3cc[nH+]c(C)n3)C2)CC1 ZINC001096877741 1362764413 /nfs/dbraw/zinc/76/44/13/1362764413.db2.gz AVCLUEUQWXAGDT-QGZVFWFLSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cc(CC)[nH+]c(C)n1 ZINC001097130686 1362856203 /nfs/dbraw/zinc/85/62/03/1362856203.db2.gz DVDYQCFHUSOZGV-ALOPSCKCSA-N 1 2 342.487 3.176 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097342064 1362943400 /nfs/dbraw/zinc/94/34/00/1362943400.db2.gz QXKMBMLOADXCCF-KBXCAEBGSA-N 1 2 344.503 3.337 20 30 EGEDLO C=CCCC(=O)N1CCCC[C@H]1CNc1nc(C)[nH+]c2c1CCCC2 ZINC001097474053 1363010082 /nfs/dbraw/zinc/01/00/82/1363010082.db2.gz DSYLCDKWTXGJTR-INIZCTEOSA-N 1 2 342.487 3.423 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([NH2+]Cc2ncc(C(C)(C)C)o2)C1 ZINC001185064001 1387606446 /nfs/dbraw/zinc/60/64/46/1387606446.db2.gz JIFPTKAJXZDFLH-HUUCEWRRSA-N 1 2 333.476 3.265 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H](C)[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001097542636 1363050005 /nfs/dbraw/zinc/05/00/05/1363050005.db2.gz KBFPCZDXUSJYJF-GDBMZVCRSA-N 1 2 330.476 3.108 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)C2 ZINC001097610545 1363074189 /nfs/dbraw/zinc/07/41/89/1363074189.db2.gz UZCPNFMVLSDBIG-UISBYWKRSA-N 1 2 348.661 3.409 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)C2 ZINC001097610545 1363074193 /nfs/dbraw/zinc/07/41/93/1363074193.db2.gz UZCPNFMVLSDBIG-UISBYWKRSA-N 1 2 348.661 3.409 20 30 EGEDLO CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)CCC1 ZINC001097653062 1363090418 /nfs/dbraw/zinc/09/04/18/1363090418.db2.gz BPQNFUKZSJTHIC-NXHRZFHOSA-N 1 2 341.430 3.109 20 30 EGEDLO CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)CCC1 ZINC001097653062 1363090423 /nfs/dbraw/zinc/09/04/23/1363090423.db2.gz BPQNFUKZSJTHIC-NXHRZFHOSA-N 1 2 341.430 3.109 20 30 EGEDLO CCCCCCCCOCC(=O)NC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001098347659 1363305418 /nfs/dbraw/zinc/30/54/18/1363305418.db2.gz CGSAPZLAHJUMCR-OAHLLOKOSA-N 1 2 336.480 3.079 20 30 EGEDLO C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)CC)Cc1ccccc1O2 ZINC001098537978 1363359278 /nfs/dbraw/zinc/35/92/78/1363359278.db2.gz YKTQOVFIZVLRPS-UHFFFAOYSA-N 1 2 348.874 3.405 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H](CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001098570052 1363381868 /nfs/dbraw/zinc/38/18/68/1363381868.db2.gz FEYRQWHIIYMPKV-MRXNPFEDSA-N 1 2 342.487 3.281 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001098605385 1363395537 /nfs/dbraw/zinc/39/55/37/1363395537.db2.gz FSBMXDZLVOUUNB-JKSUJKDBSA-N 1 2 328.460 3.468 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CCC[C@@H](Nc3cc[nH+]c(C)n3)C2)CCC1 ZINC001098651384 1363417927 /nfs/dbraw/zinc/41/79/27/1363417927.db2.gz KYGSYEDEAQRBDI-CVEARBPZSA-N 1 2 328.460 3.371 20 30 EGEDLO C=CC(C)(C)C(=O)NCc1ccc(CCNc2cc[nH+]c(C)n2)cc1 ZINC001098665868 1363426601 /nfs/dbraw/zinc/42/66/01/1363426601.db2.gz JRHYENZIEBWEQG-UHFFFAOYSA-N 1 2 338.455 3.268 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ccnc(Cl)c1 ZINC001098974813 1363549350 /nfs/dbraw/zinc/54/93/50/1363549350.db2.gz ACQTXIKMNKJBSD-HIFRSBDPSA-N 1 2 348.878 3.001 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ccnc(Cl)c1 ZINC001098974813 1363549355 /nfs/dbraw/zinc/54/93/55/1363549355.db2.gz ACQTXIKMNKJBSD-HIFRSBDPSA-N 1 2 348.878 3.001 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccc(F)cc1F ZINC001098977056 1363552528 /nfs/dbraw/zinc/55/25/28/1363552528.db2.gz ZRXIWNHJHMQOFV-CZUORRHYSA-N 1 2 349.425 3.231 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccc(F)cc1F ZINC001098977056 1363552532 /nfs/dbraw/zinc/55/25/32/1363552532.db2.gz ZRXIWNHJHMQOFV-CZUORRHYSA-N 1 2 349.425 3.231 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2oc(C3CC3)nc2C)C1 ZINC001099068989 1363605902 /nfs/dbraw/zinc/60/59/02/1363605902.db2.gz ICQVDVAIUBZYPW-KSSFIOAISA-N 1 2 349.862 3.197 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2oc(C3CC3)nc2C)C1 ZINC001099068989 1363605904 /nfs/dbraw/zinc/60/59/04/1363605904.db2.gz ICQVDVAIUBZYPW-KSSFIOAISA-N 1 2 349.862 3.197 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ncc(C)cn1 ZINC001099098226 1363620072 /nfs/dbraw/zinc/62/00/72/1363620072.db2.gz MIAGDNZDJJCCJK-KRWDZBQOSA-N 1 2 344.503 3.248 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ncc(C)cn1 ZINC001099098226 1363620076 /nfs/dbraw/zinc/62/00/76/1363620076.db2.gz MIAGDNZDJJCCJK-KRWDZBQOSA-N 1 2 344.503 3.248 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](OC)C1CCC1 ZINC001099159381 1363663678 /nfs/dbraw/zinc/66/36/78/1363663678.db2.gz RIMMBYYUFVSESL-JKSUJKDBSA-N 1 2 342.911 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](OC)C1CCC1 ZINC001099159381 1363663680 /nfs/dbraw/zinc/66/36/80/1363663680.db2.gz RIMMBYYUFVSESL-JKSUJKDBSA-N 1 2 342.911 3.161 20 30 EGEDLO C#Cc1ccc(C(=O)NCC[C@@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC001099640511 1363895786 /nfs/dbraw/zinc/89/57/86/1363895786.db2.gz CMNMZRAAHBODEO-CQSZACIVSA-N 1 2 348.450 3.264 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCCCCCC)[C@H](O)C1 ZINC001100084872 1364012038 /nfs/dbraw/zinc/01/20/38/1364012038.db2.gz CCRVXUPELMYNQI-JKSUJKDBSA-N 1 2 330.900 3.041 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCCCCCC)[C@H](O)C1 ZINC001100084872 1364012040 /nfs/dbraw/zinc/01/20/40/1364012040.db2.gz CCRVXUPELMYNQI-JKSUJKDBSA-N 1 2 330.900 3.041 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCN(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001100677106 1364214239 /nfs/dbraw/zinc/21/42/39/1364214239.db2.gz XGCAIRZOSNKBTQ-UHFFFAOYSA-N 1 2 330.476 3.207 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001100898215 1364320481 /nfs/dbraw/zinc/32/04/81/1364320481.db2.gz XJJZJPCNWOMCCX-INIZCTEOSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001101040532 1364385731 /nfs/dbraw/zinc/38/57/31/1364385731.db2.gz SRKPGPMBNCOKRT-OAHLLOKOSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C(C)CCC(=O)NCCN(CCC)c1nc(C)[nH+]c2c1CCCC2 ZINC001101191023 1364455236 /nfs/dbraw/zinc/45/52/36/1364455236.db2.gz KUSMXFPWCKFXSM-UHFFFAOYSA-N 1 2 344.503 3.353 20 30 EGEDLO C=C1CCC(C(=O)N(C)CCNc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001101928836 1364777465 /nfs/dbraw/zinc/77/74/65/1364777465.db2.gz DUWSLVDHXXSPLF-UHFFFAOYSA-N 1 2 342.487 3.281 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N(CCC)[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102256657 1364970185 /nfs/dbraw/zinc/97/01/85/1364970185.db2.gz BRMNWWLZQJIIGF-NVXWUHKLSA-N 1 2 330.476 3.205 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N(C)[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102752290 1365202243 /nfs/dbraw/zinc/20/22/43/1365202243.db2.gz DRIWJABQZSEUAH-RDJZCZTQSA-N 1 2 342.487 3.302 20 30 EGEDLO C=CCCC(=O)NCC[C@@H]1C[N@@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001102762569 1365207414 /nfs/dbraw/zinc/20/74/14/1365207414.db2.gz GHWGJRFEPMXAHD-CHWSQXEVSA-N 1 2 341.908 3.337 20 30 EGEDLO C=CCCC(=O)NCC[C@@H]1C[N@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001102762569 1365207415 /nfs/dbraw/zinc/20/74/15/1365207415.db2.gz GHWGJRFEPMXAHD-CHWSQXEVSA-N 1 2 341.908 3.337 20 30 EGEDLO C=C(C)CCC(=O)NCC[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102934917 1365300275 /nfs/dbraw/zinc/30/02/75/1365300275.db2.gz NGMBHIMNKSLJDD-SFHVURJKSA-N 1 2 344.503 3.481 20 30 EGEDLO C#CCCCCCC(=O)NCC[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001102939801 1365304498 /nfs/dbraw/zinc/30/44/98/1365304498.db2.gz AYTMMTMJXSWIFT-SFHVURJKSA-N 1 2 342.487 3.091 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC(CCNc2cc[nH+]c(C)n2)CC1 ZINC001103624695 1365685886 /nfs/dbraw/zinc/68/58/86/1365685886.db2.gz IEDCOCGFZBOESH-LSDHHAIUSA-N 1 2 330.476 3.284 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCc1ccc(CNc2cc[nH+]c(C)n2)cc1 ZINC001103666056 1365714099 /nfs/dbraw/zinc/71/40/99/1365714099.db2.gz GBAFXQQJBNSKPI-CABCVRRESA-N 1 2 338.455 3.472 20 30 EGEDLO C#CCCCCC(=O)N(C)[C@@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001104522051 1366060930 /nfs/dbraw/zinc/06/09/30/1366060930.db2.gz VJOJGTCUYQLFGO-HNNXBMFYSA-N 1 2 328.460 3.115 20 30 EGEDLO C=CC(C)(C)C(=O)N(C)[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104766634 1366163416 /nfs/dbraw/zinc/16/34/16/1366163416.db2.gz OHUFMLIQBNCGBI-CYBMUJFWSA-N 1 2 330.476 3.135 20 30 EGEDLO C=CCCC1(C(=O)N[C@H](CNc2cc[nH+]c(C)n2)CC(C)C)CC1 ZINC001104987677 1366260148 /nfs/dbraw/zinc/26/01/48/1366260148.db2.gz JGMXLOICCVFFJC-INIZCTEOSA-N 1 2 330.476 3.474 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@H](C)C1 ZINC001105052678 1366294608 /nfs/dbraw/zinc/29/46/08/1366294608.db2.gz SFLJUMRMUWWQLP-RHSMWYFYSA-N 1 2 328.460 3.202 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]([C@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001105081322 1366313970 /nfs/dbraw/zinc/31/39/70/1366313970.db2.gz JICNFAHVNYUCGJ-HOCLYGCPSA-N 1 2 330.476 3.426 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@H](C)[C@H]1CNc1cc[nH+]c(C)n1 ZINC001105089784 1366320014 /nfs/dbraw/zinc/32/00/14/1366320014.db2.gz YTRFFJKOAYVBBE-DOTOQJQBSA-N 1 2 328.460 3.018 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](Nc1cc(C)[nH+]c(C2CC2)n1)C(C)C ZINC001105158705 1366349683 /nfs/dbraw/zinc/34/96/83/1366349683.db2.gz ZOZCGHJRNMGELU-QGZVFWFLSA-N 1 2 342.487 3.409 20 30 EGEDLO C#CCCCC(=O)NC[C@H](Nc1cc(C)[nH+]c(C2CC2)n1)C(C)C ZINC001105162549 1366351216 /nfs/dbraw/zinc/35/12/16/1366351216.db2.gz UNZSGOQWUNOISH-INIZCTEOSA-N 1 2 328.460 3.019 20 30 EGEDLO C=CCC(C)(C)C(=O)N(C)CCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001105571387 1366538022 /nfs/dbraw/zinc/53/80/22/1366538022.db2.gz FQVPJYAPUXUGRR-UHFFFAOYSA-N 1 2 344.503 3.161 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CCC[C@H]1CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001105652698 1366560617 /nfs/dbraw/zinc/56/06/17/1366560617.db2.gz UJQYSXNKYCXALL-DLBZAZTESA-N 1 2 342.487 3.409 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C3(CC(C)C)CCC3)CC2)C1 ZINC001105713967 1366581995 /nfs/dbraw/zinc/58/19/95/1366581995.db2.gz DQNKMYOXCLPKEC-UHFFFAOYSA-N 1 2 348.531 3.471 20 30 EGEDLO C=CC1(CC(=O)NC/C=C/CNc2cc[nH+]c(C)n2)CCCCC1 ZINC001107250775 1366904489 /nfs/dbraw/zinc/90/44/89/1366904489.db2.gz KAPPCULZETUZNO-BQYQJAHWSA-N 1 2 328.460 3.396 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NC/C=C\CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001107456803 1366970340 /nfs/dbraw/zinc/97/03/40/1366970340.db2.gz VKALEOXTASNNPR-SVUXDUJVSA-N 1 2 330.476 3.451 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NC/C=C/CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107456737 1366970500 /nfs/dbraw/zinc/97/05/00/1366970500.db2.gz SZZQOMUHRAKEJX-XQCKBBLNSA-N 1 2 328.460 3.205 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001109153036 1366978505 /nfs/dbraw/zinc/97/85/05/1366978505.db2.gz HZCHXJCJBJQFGP-PVAVHDDUSA-N 1 2 345.393 3.182 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001109153036 1366978509 /nfs/dbraw/zinc/97/85/09/1366978509.db2.gz HZCHXJCJBJQFGP-PVAVHDDUSA-N 1 2 345.393 3.182 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001109189617 1366993610 /nfs/dbraw/zinc/99/36/10/1366993610.db2.gz QBGSNMWWNLLAGN-CQSZACIVSA-N 1 2 330.476 3.206 20 30 EGEDLO C=CC(C)(C)C(=O)N(C)CCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001109578748 1367208962 /nfs/dbraw/zinc/20/89/62/1367208962.db2.gz OFDCTEHETDSXCY-UHFFFAOYSA-N 1 2 330.476 3.136 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(Cl)n1 ZINC001109627350 1367245445 /nfs/dbraw/zinc/24/54/45/1367245445.db2.gz NLLDXKPQNKFAEN-IKGGRYGDSA-N 1 2 345.874 3.150 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(Cl)n1 ZINC001109627350 1367245449 /nfs/dbraw/zinc/24/54/49/1367245449.db2.gz NLLDXKPQNKFAEN-IKGGRYGDSA-N 1 2 345.874 3.150 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](OCC)c3ccccc3)[C@@H]2C1 ZINC001190467572 1367271610 /nfs/dbraw/zinc/27/16/10/1367271610.db2.gz VGSZZBBWCGBNHN-RCCFBDPRSA-N 1 2 348.874 3.049 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](OCC)c3ccccc3)[C@@H]2C1 ZINC001190467572 1367271612 /nfs/dbraw/zinc/27/16/12/1367271612.db2.gz VGSZZBBWCGBNHN-RCCFBDPRSA-N 1 2 348.874 3.049 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cc1cccs1)C2 ZINC001109776275 1367316544 /nfs/dbraw/zinc/31/65/44/1367316544.db2.gz HEHKQIBAXPPUPB-YOENINGUSA-N 1 2 338.904 3.401 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cc1cccs1)C2 ZINC001109776275 1367316545 /nfs/dbraw/zinc/31/65/45/1367316545.db2.gz HEHKQIBAXPPUPB-YOENINGUSA-N 1 2 338.904 3.401 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@]2(C)C[N@H+](Cc3csc(C)c3)CCO2)C1 ZINC001108200878 1367339704 /nfs/dbraw/zinc/33/97/04/1367339704.db2.gz DVDLQPQCXCAIMQ-IBGZPJMESA-N 1 2 348.512 3.120 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@]2(C)C[N@@H+](Cc3csc(C)c3)CCO2)C1 ZINC001108200878 1367339709 /nfs/dbraw/zinc/33/97/09/1367339709.db2.gz DVDLQPQCXCAIMQ-IBGZPJMESA-N 1 2 348.512 3.120 20 30 EGEDLO C=CC[C@@H](C(=O)NCC1(Nc2cc[nH+]c(C)n2)CC1)c1ccccc1 ZINC001110153219 1367527423 /nfs/dbraw/zinc/52/74/23/1367527423.db2.gz SHBMZKIPBHQPKI-QGZVFWFLSA-N 1 2 336.439 3.206 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC001191912030 1367635095 /nfs/dbraw/zinc/63/50/95/1367635095.db2.gz MDVWQWASZYYARC-WMZOPIPTSA-N 1 2 332.492 3.099 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC001191912030 1367635104 /nfs/dbraw/zinc/63/51/04/1367635104.db2.gz MDVWQWASZYYARC-WMZOPIPTSA-N 1 2 332.492 3.099 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C(C)(C)C)o2)C1 ZINC001192059947 1367676453 /nfs/dbraw/zinc/67/64/53/1367676453.db2.gz KYQRZDAMJQZOGJ-HNNXBMFYSA-N 1 2 333.476 3.361 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C(C)(C)C)o2)C1 ZINC001192059947 1367676459 /nfs/dbraw/zinc/67/64/59/1367676459.db2.gz KYQRZDAMJQZOGJ-HNNXBMFYSA-N 1 2 333.476 3.361 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2nc(CCCC)no2)C1 ZINC001192059550 1367677376 /nfs/dbraw/zinc/67/73/76/1367677376.db2.gz HHBGBFHTOBLPBD-CVEARBPZSA-N 1 2 348.491 3.362 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2nc(CCCC)no2)C1 ZINC001192059550 1367677381 /nfs/dbraw/zinc/67/73/81/1367677381.db2.gz HHBGBFHTOBLPBD-CVEARBPZSA-N 1 2 348.491 3.362 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC001192577794 1367822641 /nfs/dbraw/zinc/82/26/41/1367822641.db2.gz JAZXWBKOCLYDDA-QGZVFWFLSA-N 1 2 332.492 3.099 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC001192577794 1367822646 /nfs/dbraw/zinc/82/26/46/1367822646.db2.gz JAZXWBKOCLYDDA-QGZVFWFLSA-N 1 2 332.492 3.099 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC001192578806 1367823310 /nfs/dbraw/zinc/82/33/10/1367823310.db2.gz TYUTXTSCVFHISP-HNNXBMFYSA-N 1 2 345.487 3.188 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC001192578806 1367823316 /nfs/dbraw/zinc/82/33/16/1367823316.db2.gz TYUTXTSCVFHISP-HNNXBMFYSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1noc2c1CCCC2 ZINC001110607518 1367870001 /nfs/dbraw/zinc/87/00/01/1367870001.db2.gz YCCGOSRHFXWWFH-KYJSFNMBSA-N 1 2 343.471 3.131 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1noc2c1CCCC2 ZINC001110607518 1367870005 /nfs/dbraw/zinc/87/00/05/1367870005.db2.gz YCCGOSRHFXWWFH-KYJSFNMBSA-N 1 2 343.471 3.131 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)CC(CC)CC)C1 ZINC001193078668 1367937859 /nfs/dbraw/zinc/93/78/59/1367937859.db2.gz WDMHMOVQKZZPKP-AWEZNQCLSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)CC(CC)CC)C1 ZINC001193078668 1367937863 /nfs/dbraw/zinc/93/78/63/1367937863.db2.gz WDMHMOVQKZZPKP-AWEZNQCLSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)CCC)C1 ZINC001193108853 1367946741 /nfs/dbraw/zinc/94/67/41/1367946741.db2.gz BXBXEAYUNWYZEQ-UONOGXRCSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)CCC)C1 ZINC001193108853 1367946745 /nfs/dbraw/zinc/94/67/45/1367946745.db2.gz BXBXEAYUNWYZEQ-UONOGXRCSA-N 1 2 331.298 3.254 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C(C)(C)C ZINC001110720701 1367948119 /nfs/dbraw/zinc/94/81/19/1367948119.db2.gz PUIZGIPTOGUTQO-AXUOBQJMSA-N 1 2 339.483 3.462 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C(C)(C)C ZINC001110720701 1367948123 /nfs/dbraw/zinc/94/81/23/1367948123.db2.gz PUIZGIPTOGUTQO-AXUOBQJMSA-N 1 2 339.483 3.462 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncoc1C(C)C ZINC001110897149 1368071539 /nfs/dbraw/zinc/07/15/39/1368071539.db2.gz CRJCAPBOFVKPAM-FMKPAKJESA-N 1 2 331.460 3.232 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncoc1C(C)C ZINC001110897149 1368071545 /nfs/dbraw/zinc/07/15/45/1368071545.db2.gz CRJCAPBOFVKPAM-FMKPAKJESA-N 1 2 331.460 3.232 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1F ZINC001110924966 1368096688 /nfs/dbraw/zinc/09/66/88/1368096688.db2.gz APJBOMSIMFRTGC-NXHRZFHOSA-N 1 2 346.421 3.380 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1F ZINC001110924966 1368096691 /nfs/dbraw/zinc/09/66/91/1368096691.db2.gz APJBOMSIMFRTGC-NXHRZFHOSA-N 1 2 346.421 3.380 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)nc1 ZINC001110925046 1368097118 /nfs/dbraw/zinc/09/71/18/1368097118.db2.gz FTNSXJGNSWVJKK-ZACQAIPSSA-N 1 2 345.874 3.150 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)nc1 ZINC001110925046 1368097120 /nfs/dbraw/zinc/09/71/20/1368097120.db2.gz FTNSXJGNSWVJKK-ZACQAIPSSA-N 1 2 345.874 3.150 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001110936616 1368107111 /nfs/dbraw/zinc/10/71/11/1368107111.db2.gz XCDMIPSEZDOUSX-LIRZEXBASA-N 1 2 331.435 3.045 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001110936616 1368107114 /nfs/dbraw/zinc/10/71/14/1368107114.db2.gz XCDMIPSEZDOUSX-LIRZEXBASA-N 1 2 331.435 3.045 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001110936617 1368107181 /nfs/dbraw/zinc/10/71/81/1368107181.db2.gz XCDMIPSEZDOUSX-PILAGYSTSA-N 1 2 331.435 3.045 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001110936617 1368107183 /nfs/dbraw/zinc/10/71/83/1368107183.db2.gz XCDMIPSEZDOUSX-PILAGYSTSA-N 1 2 331.435 3.045 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1cccs1)C2 ZINC001111081101 1368154888 /nfs/dbraw/zinc/15/48/88/1368154888.db2.gz HEHKQIBAXPPUPB-CUBALJKWSA-N 1 2 338.904 3.401 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1cccs1)C2 ZINC001111081101 1368154889 /nfs/dbraw/zinc/15/48/89/1368154889.db2.gz HEHKQIBAXPPUPB-CUBALJKWSA-N 1 2 338.904 3.401 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)OC1CCCC1)C2 ZINC001111084137 1368155552 /nfs/dbraw/zinc/15/55/52/1368155552.db2.gz CCBVRKFQJLZHSY-SIXLDLHFSA-N 1 2 340.895 3.198 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)OC1CCCC1)C2 ZINC001111084137 1368155557 /nfs/dbraw/zinc/15/55/57/1368155557.db2.gz CCBVRKFQJLZHSY-SIXLDLHFSA-N 1 2 340.895 3.198 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H](C2CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC001111166791 1368177665 /nfs/dbraw/zinc/17/76/65/1368177665.db2.gz UPILNOSMKKXBJJ-SFHVURJKSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CCCC1(C(=O)N2C[C@@H](C)[C@@H](CNc3cc[nH+]c(C)n3)C2)CC1 ZINC001111256495 1368222823 /nfs/dbraw/zinc/22/28/23/1368222823.db2.gz DWPGRGIOULVZSH-ZBFHGGJFSA-N 1 2 328.460 3.038 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@](C)(OC)c1ccccc1)C2 ZINC001111285159 1368253479 /nfs/dbraw/zinc/25/34/79/1368253479.db2.gz DRANAPZIHASLEU-VXIBKDFQSA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@](C)(OC)c1ccccc1)C2 ZINC001111285159 1368253482 /nfs/dbraw/zinc/25/34/82/1368253482.db2.gz DRANAPZIHASLEU-VXIBKDFQSA-N 1 2 348.874 3.022 20 30 EGEDLO C#CCCCC(=O)N1CC[C@@H](CCNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001111606421 1368368730 /nfs/dbraw/zinc/36/87/30/1368368730.db2.gz BYQOFPQHXFUQBP-MRXNPFEDSA-N 1 2 340.471 3.116 20 30 EGEDLO C#CCCCC(=O)N1CC[C@@H](CCNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001111606745 1368368743 /nfs/dbraw/zinc/36/87/43/1368368743.db2.gz IVVZOOXDJAEGSL-QGZVFWFLSA-N 1 2 342.487 3.362 20 30 EGEDLO CC(C)[C@H](C)CC(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001195201165 1368400064 /nfs/dbraw/zinc/40/00/64/1368400064.db2.gz SJRWWKDGLQPMCY-MRXNPFEDSA-N 1 2 345.462 3.414 20 30 EGEDLO CC(C)[C@H](C)CC(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001195201165 1368400066 /nfs/dbraw/zinc/40/00/66/1368400066.db2.gz SJRWWKDGLQPMCY-MRXNPFEDSA-N 1 2 345.462 3.414 20 30 EGEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)c1nnc(C)s1)C2 ZINC001111764959 1368451542 /nfs/dbraw/zinc/45/15/42/1368451542.db2.gz LPUGQLFQGKPYHR-XUWXXGDYSA-N 1 2 348.516 3.235 20 30 EGEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)c1nnc(C)s1)C2 ZINC001111764959 1368451545 /nfs/dbraw/zinc/45/15/45/1368451545.db2.gz LPUGQLFQGKPYHR-XUWXXGDYSA-N 1 2 348.516 3.235 20 30 EGEDLO CC[C@@H](C)CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001195667682 1368468307 /nfs/dbraw/zinc/46/83/07/1368468307.db2.gz KPPGOJAVDQGPHK-OAHLLOKOSA-N 1 2 331.435 3.168 20 30 EGEDLO CC[C@@H](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001195667682 1368468310 /nfs/dbraw/zinc/46/83/10/1368468310.db2.gz KPPGOJAVDQGPHK-OAHLLOKOSA-N 1 2 331.435 3.168 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@@H+](Cc2ccc(OC)c(Cl)c2)CC1 ZINC001195675025 1368470408 /nfs/dbraw/zinc/47/04/08/1368470408.db2.gz PLYTWZWULJDDNG-UHFFFAOYSA-N 1 2 348.874 3.186 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@H+](Cc2ccc(OC)c(Cl)c2)CC1 ZINC001195675025 1368470410 /nfs/dbraw/zinc/47/04/10/1368470410.db2.gz PLYTWZWULJDDNG-UHFFFAOYSA-N 1 2 348.874 3.186 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC[N@@H+]([C@@H](C)c2cnc(C)cn2)CC1 ZINC001195966556 1368524619 /nfs/dbraw/zinc/52/46/19/1368524619.db2.gz LENCHFPVXYWRBF-KRWDZBQOSA-N 1 2 342.487 3.149 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC[N@H+]([C@@H](C)c2cnc(C)cn2)CC1 ZINC001195966556 1368524624 /nfs/dbraw/zinc/52/46/24/1368524624.db2.gz LENCHFPVXYWRBF-KRWDZBQOSA-N 1 2 342.487 3.149 20 30 EGEDLO N#Cc1ccccc1NC(=S)NCc1c[nH+]cn1Cc1ccccc1 ZINC001196351359 1368595027 /nfs/dbraw/zinc/59/50/27/1368595027.db2.gz VZQZLOFEHASOTM-UHFFFAOYSA-N 1 2 347.447 3.290 20 30 EGEDLO C=C(C)CCC(=O)N(C)CCCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001112130817 1368675159 /nfs/dbraw/zinc/67/51/59/1368675159.db2.gz TTZKTNSRPSCPTR-UHFFFAOYSA-N 1 2 344.503 3.305 20 30 EGEDLO C=CC(C)(C)C(=O)N(C)CCCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001112151879 1368683519 /nfs/dbraw/zinc/68/35/19/1368683519.db2.gz ZTJIBAFIBCJOHB-UHFFFAOYSA-N 1 2 332.492 3.405 20 30 EGEDLO C=C/C(C)=C\CC(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001196791230 1368685337 /nfs/dbraw/zinc/68/53/37/1368685337.db2.gz XWFBMQUXSDSLTE-BNCCVWRVSA-N 1 2 341.430 3.254 20 30 EGEDLO C=C/C(C)=C\CC(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001196791230 1368685343 /nfs/dbraw/zinc/68/53/43/1368685343.db2.gz XWFBMQUXSDSLTE-BNCCVWRVSA-N 1 2 341.430 3.254 20 30 EGEDLO CCCC(C)(C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001196992912 1368727321 /nfs/dbraw/zinc/72/73/21/1368727321.db2.gz FZLMNFCHDQTIMN-UHFFFAOYSA-N 1 2 333.501 3.480 20 30 EGEDLO CCCC(C)(C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001196992912 1368727324 /nfs/dbraw/zinc/72/73/24/1368727324.db2.gz FZLMNFCHDQTIMN-UHFFFAOYSA-N 1 2 333.501 3.480 20 30 EGEDLO CCCCCCC[N@@H+]1CCCN(C(=O)c2cc(C(F)F)[nH]n2)CC1 ZINC001197125531 1368750256 /nfs/dbraw/zinc/75/02/56/1368750256.db2.gz COIFKDGCDUTNMC-UHFFFAOYSA-N 1 2 342.434 3.466 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001112367902 1368796438 /nfs/dbraw/zinc/79/64/38/1368796438.db2.gz SHGFRSBZBXMUSP-INIZCTEOSA-N 1 2 330.476 3.089 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001112404478 1368826869 /nfs/dbraw/zinc/82/68/69/1368826869.db2.gz BNHYUYFIOGITFU-NVXWUHKLSA-N 1 2 342.487 3.043 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001112424335 1368839528 /nfs/dbraw/zinc/83/95/28/1368839528.db2.gz NSGVLVYDXXCBHV-CXAGYDPISA-N 1 2 330.476 3.089 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C[C@@H]1C ZINC001112424338 1368839557 /nfs/dbraw/zinc/83/95/57/1368839557.db2.gz NSGVLVYDXXCBHV-SUMWQHHRSA-N 1 2 330.476 3.089 20 30 EGEDLO CC[C@@H](C)[C@@H](C)C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC001197586717 1368846324 /nfs/dbraw/zinc/84/63/24/1368846324.db2.gz KJLBOHBQRHJTLD-RTBURBONSA-N 1 2 326.484 3.255 20 30 EGEDLO CC[C@@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001197586717 1368846330 /nfs/dbraw/zinc/84/63/30/1368846330.db2.gz KJLBOHBQRHJTLD-RTBURBONSA-N 1 2 326.484 3.255 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)[C@H](C)C1 ZINC001112477039 1368876294 /nfs/dbraw/zinc/87/62/94/1368876294.db2.gz QQEPWMHOZBQVMV-CVEARBPZSA-N 1 2 330.476 3.348 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H](C)C1 ZINC001112500518 1368899288 /nfs/dbraw/zinc/89/92/88/1368899288.db2.gz XBLDPMQZFIMZBN-SUMWQHHRSA-N 1 2 344.503 3.478 20 30 EGEDLO CCCCCCCCCCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001198075282 1368954633 /nfs/dbraw/zinc/95/46/33/1368954633.db2.gz GXIRHNLXWQLRCS-JOOJNFMESA-N 1 2 344.927 3.431 20 30 EGEDLO CCCCCCCCCCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001198075282 1368954640 /nfs/dbraw/zinc/95/46/40/1368954640.db2.gz GXIRHNLXWQLRCS-JOOJNFMESA-N 1 2 344.927 3.431 20 30 EGEDLO C=CC[NH+]1CCN(C(=S)Nc2ccccc2OC(F)(F)F)CC1 ZINC001198152357 1368969208 /nfs/dbraw/zinc/96/92/08/1368969208.db2.gz SDFYALBZPDJIPK-UHFFFAOYSA-N 1 2 345.390 3.086 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC001112671433 1368974271 /nfs/dbraw/zinc/97/42/71/1368974271.db2.gz IUDDCMIHURGJDG-CVEARBPZSA-N 1 2 334.435 3.012 20 30 EGEDLO C#CCCCCC(=O)N[C@H](C)[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001112973058 1369117705 /nfs/dbraw/zinc/11/77/05/1369117705.db2.gz DXHNUYSHPDXWDH-LSDHHAIUSA-N 1 2 328.460 3.161 20 30 EGEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(C(C)(C)CC)cc2)CC1 ZINC001112995840 1369128385 /nfs/dbraw/zinc/12/83/85/1369128385.db2.gz DRGCBYQHXNBACS-UHFFFAOYSA-N 1 2 344.499 3.335 20 30 EGEDLO CC#CCCCC(=O)N1CC[NH+](CCc2ccccc2Cl)CC1 ZINC001113232259 1369280918 /nfs/dbraw/zinc/28/09/18/1369280918.db2.gz KABRCZDTPDOPJO-UHFFFAOYSA-N 1 2 332.875 3.220 20 30 EGEDLO C=CCOCC[NH+]1CCN(C(=O)c2c(Cl)oc3ccccc32)CC1 ZINC001113245856 1369289111 /nfs/dbraw/zinc/28/91/11/1369289111.db2.gz AQLKXLLAEJGRPF-UHFFFAOYSA-N 1 2 348.830 3.047 20 30 EGEDLO C=CCCCC(=O)N1CC[NH+](Cc2ccccc2OC(C)C)CC1 ZINC001113280062 1369313329 /nfs/dbraw/zinc/31/33/29/1369313329.db2.gz WAFCWCQTNSNADV-UHFFFAOYSA-N 1 2 330.472 3.474 20 30 EGEDLO C=CCCCC(=O)N[C@H](C)[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001113296360 1369328824 /nfs/dbraw/zinc/32/88/24/1369328824.db2.gz KWEUOEXWBDSYRG-ZIAGYGMSSA-N 1 2 330.476 3.325 20 30 EGEDLO CCCCCCC[NH2+]C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001200669504 1369409673 /nfs/dbraw/zinc/40/96/73/1369409673.db2.gz FWLJAMVSBFYQCQ-CYBMUJFWSA-N 1 2 326.378 3.438 20 30 EGEDLO CCCCCCC[NH2+]C1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001200669504 1369409676 /nfs/dbraw/zinc/40/96/76/1369409676.db2.gz FWLJAMVSBFYQCQ-CYBMUJFWSA-N 1 2 326.378 3.438 20 30 EGEDLO CC[C@@H](C)CCC(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001113451889 1369441106 /nfs/dbraw/zinc/44/11/06/1369441106.db2.gz PROUTZHQNMHULB-QGZVFWFLSA-N 1 2 343.471 3.059 20 30 EGEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc3cc(C)c(C)cc3o2)CC1 ZINC001113544139 1369487561 /nfs/dbraw/zinc/48/75/61/1369487561.db2.gz WXEZCOXNCSUFRW-UHFFFAOYSA-N 1 2 342.439 3.010 20 30 EGEDLO CCCCCCCCC(=O)N1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC001113575720 1369498583 /nfs/dbraw/zinc/49/85/83/1369498583.db2.gz ISFYBMAEWJEZNA-MRXNPFEDSA-N 1 2 346.462 3.305 20 30 EGEDLO C=CC[C@@H](C(=O)N1CC[NH+](CCOCC(C)C)CC1)c1ccccc1 ZINC001113663070 1369551019 /nfs/dbraw/zinc/55/10/19/1369551019.db2.gz VTYMCYLMUBUGCR-HXUWFJFHSA-N 1 2 344.499 3.163 20 30 EGEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC001113713028 1369581830 /nfs/dbraw/zinc/58/18/30/1369581830.db2.gz JWQIYISYIXBRQS-KSSFIOAISA-N 1 2 348.874 3.063 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001113821419 1369622691 /nfs/dbraw/zinc/62/26/91/1369622691.db2.gz CCYTWVQSICAJNC-HOCLYGCPSA-N 1 2 332.492 3.452 20 30 EGEDLO CCCCCCCCCCS(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC001201836192 1369630536 /nfs/dbraw/zinc/63/05/36/1369630536.db2.gz CQJNHJWRJIFHKW-UHFFFAOYSA-N 1 2 327.494 3.169 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)CC[C@@H]1C ZINC001114023779 1369689137 /nfs/dbraw/zinc/68/91/37/1369689137.db2.gz JTUAUGNGELPMFN-DOTOQJQBSA-N 1 2 342.487 3.043 20 30 EGEDLO C=C(C)[C@H](CC(=O)N[C@@H](CCCC)CNc1cc[nH+]c(C)n1)OCC ZINC001114286558 1369851941 /nfs/dbraw/zinc/85/19/41/1369851941.db2.gz PXUMQDPLVOJDKP-IRXDYDNUSA-N 1 2 348.491 3.243 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001114348096 1369905010 /nfs/dbraw/zinc/90/50/10/1369905010.db2.gz HNIDKRCFYHKZLK-YRWFTTLQSA-N 1 2 342.870 3.094 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001114348096 1369905018 /nfs/dbraw/zinc/90/50/18/1369905018.db2.gz HNIDKRCFYHKZLK-YRWFTTLQSA-N 1 2 342.870 3.094 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CN(c3cc[nH+]c(C)n3)CC2(C)C)CCCC1 ZINC001114457111 1369951530 /nfs/dbraw/zinc/95/15/30/1369951530.db2.gz KBRCEXJPZPCVFI-MRXNPFEDSA-N 1 2 342.487 3.253 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001114484671 1369971847 /nfs/dbraw/zinc/97/18/47/1369971847.db2.gz GZBBOMZETAAKCJ-MRXNPFEDSA-N 1 2 330.476 3.089 20 30 EGEDLO C#CCCCC(=O)N1C[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C[C@@H]1C ZINC001114685029 1370024199 /nfs/dbraw/zinc/02/41/99/1370024199.db2.gz NHGGKIFLWWBPSC-HOTGVXAUSA-N 1 2 340.471 3.115 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2noc(C(C)C)n2)C12CCC2 ZINC001203340467 1370089670 /nfs/dbraw/zinc/08/96/70/1370089670.db2.gz LPHIRUPBQQWNMV-HUUCEWRRSA-N 1 2 346.475 3.066 20 30 EGEDLO C#CCC1(C(=O)N[C@H](C)CCCNc2cc[nH+]c(C)n2)CCCCC1 ZINC001114964325 1370180737 /nfs/dbraw/zinc/18/07/37/1370180737.db2.gz MNCXWHXPVQHYAP-MRXNPFEDSA-N 1 2 342.487 3.456 20 30 EGEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC001203694020 1370222547 /nfs/dbraw/zinc/22/25/47/1370222547.db2.gz VTTAPBYVSLFWIS-UHFFFAOYSA-N 1 2 340.345 3.374 20 30 EGEDLO C#CCCCC(=O)N1CCC(N(C)c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001115139115 1370304488 /nfs/dbraw/zinc/30/44/88/1370304488.db2.gz RASYSMBKVLAMEY-UHFFFAOYSA-N 1 2 342.487 3.139 20 30 EGEDLO C#CCCCC(=O)NCC[C@@H](Nc1cc(C)[nH+]c(C2CC2)n1)C(C)C ZINC001115310535 1370374248 /nfs/dbraw/zinc/37/42/48/1370374248.db2.gz ULNXOKOVDRCIMX-QGZVFWFLSA-N 1 2 342.487 3.409 20 30 EGEDLO CCCCCCCCOc1ccc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)cc1 ZINC001204313372 1370440864 /nfs/dbraw/zinc/44/08/64/1370440864.db2.gz ZAZOWBCCRQWCFU-LJQANCHMSA-N 1 2 348.487 3.112 20 30 EGEDLO CCCCCCCCOc1ccc(C[N@H+]2CCO[C@@H](C(N)=O)C2)cc1 ZINC001204313372 1370440866 /nfs/dbraw/zinc/44/08/66/1370440866.db2.gz ZAZOWBCCRQWCFU-LJQANCHMSA-N 1 2 348.487 3.112 20 30 EGEDLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)c(F)c(F)c2)CC[C@H]1F ZINC001204523593 1370502748 /nfs/dbraw/zinc/50/27/48/1370502748.db2.gz CUMWSAZBSFSSHN-YPMHNXCESA-N 1 2 345.258 3.331 20 30 EGEDLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)c(F)c(F)c2)CC[C@H]1F ZINC001204523593 1370502752 /nfs/dbraw/zinc/50/27/52/1370502752.db2.gz CUMWSAZBSFSSHN-YPMHNXCESA-N 1 2 345.258 3.331 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N(C)C[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001115642475 1370633683 /nfs/dbraw/zinc/63/36/83/1370633683.db2.gz HATISRXMOBGXPN-HOTGVXAUSA-N 1 2 348.491 3.148 20 30 EGEDLO N[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)cc(OC(F)(F)F)c2)C1 ZINC001206238173 1371000494 /nfs/dbraw/zinc/00/04/94/1371000494.db2.gz PVPMHZSDIYHCAR-LLVKDONJSA-N 1 2 346.246 3.190 20 30 EGEDLO N[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)cc(OC(F)(F)F)c2)C1 ZINC001206238173 1371000498 /nfs/dbraw/zinc/00/04/98/1371000498.db2.gz PVPMHZSDIYHCAR-LLVKDONJSA-N 1 2 346.246 3.190 20 30 EGEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1cccc(/C=N/O)c1 ZINC001206525831 1371084047 /nfs/dbraw/zinc/08/40/47/1371084047.db2.gz BYPDHVIZHRMGMZ-DEDYPNTBSA-N 1 2 326.396 3.003 20 30 EGEDLO COc1cc(-c2ccc(C[NH+]3CCOCC3)cc2F)cc(F)c1C#N ZINC001206739590 1371150790 /nfs/dbraw/zinc/15/07/90/1371150790.db2.gz AISNBOSUNNKUFO-UHFFFAOYSA-N 1 2 344.361 3.344 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)OCCCCCC)C1 ZINC001206960178 1371247734 /nfs/dbraw/zinc/24/77/34/1371247734.db2.gz XCUKHAKNXDTDLS-FVQBIDKESA-N 1 2 330.900 3.161 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)OCCCCCC)C1 ZINC001206960178 1371247740 /nfs/dbraw/zinc/24/77/40/1371247740.db2.gz XCUKHAKNXDTDLS-FVQBIDKESA-N 1 2 330.900 3.161 20 30 EGEDLO C=C(C)[C@@H]1CC=C(C[N@H+]2CCc3c(nnn3CC)[C@@H]2COC)CC1 ZINC001208170849 1371616705 /nfs/dbraw/zinc/61/67/05/1371616705.db2.gz MLARHDRIFSMAKV-AEFFLSMTSA-N 1 2 330.476 3.146 20 30 EGEDLO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCc3c(nnn3CC)[C@@H]2COC)CC1 ZINC001208170849 1371616711 /nfs/dbraw/zinc/61/67/11/1371616711.db2.gz MLARHDRIFSMAKV-AEFFLSMTSA-N 1 2 330.476 3.146 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C(C)C)no2)C1 ZINC001208195208 1371633902 /nfs/dbraw/zinc/63/39/02/1371633902.db2.gz YIPNXOIAAMGIQB-MRXNPFEDSA-N 1 2 346.475 3.042 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208963958 1371963465 /nfs/dbraw/zinc/96/34/65/1371963465.db2.gz PHSFVOWODNCHKM-RDTXWAMCSA-N 1 2 343.446 3.236 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208963958 1371963478 /nfs/dbraw/zinc/96/34/78/1371963478.db2.gz PHSFVOWODNCHKM-RDTXWAMCSA-N 1 2 343.446 3.236 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC(F)(F)C[C@@H]1C ZINC001121613363 1372025509 /nfs/dbraw/zinc/02/55/09/1372025509.db2.gz XKJKJXXSJDSERB-KBPBESRZSA-N 1 2 339.434 3.245 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC(F)(F)C[C@@H]1C ZINC001121613363 1372025512 /nfs/dbraw/zinc/02/55/12/1372025512.db2.gz XKJKJXXSJDSERB-KBPBESRZSA-N 1 2 339.434 3.245 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@H]([NH2+]Cc3nc(C(C)C)no3)C2)CCC1 ZINC001209505000 1372123244 /nfs/dbraw/zinc/12/32/44/1372123244.db2.gz XQOKXWUOGFQHRI-HNNXBMFYSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCCC(F)(F)CC1 ZINC001122529878 1372267956 /nfs/dbraw/zinc/26/79/56/1372267956.db2.gz QSBJVIOCULGUBZ-AWEZNQCLSA-N 1 2 339.434 3.247 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCCC(F)(F)CC1 ZINC001122529878 1372267958 /nfs/dbraw/zinc/26/79/58/1372267958.db2.gz QSBJVIOCULGUBZ-AWEZNQCLSA-N 1 2 339.434 3.247 20 30 EGEDLO Cc1nc(N2C[C@@H](C)O[C@H](C)C2)cc(NC2=CC(=O)CC(C)(C)C2)[nH+]1 ZINC001210149343 1372282092 /nfs/dbraw/zinc/28/20/92/1372282092.db2.gz PKNPXWZXYWSMTK-CHWSQXEVSA-N 1 2 344.459 3.084 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@](C)(OC)C1 ZINC001122623063 1372285453 /nfs/dbraw/zinc/28/54/53/1372285453.db2.gz OPRRBYLUFDFNMW-QFBILLFUSA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@](C)(OC)C1 ZINC001122623063 1372285458 /nfs/dbraw/zinc/28/54/58/1372285458.db2.gz OPRRBYLUFDFNMW-QFBILLFUSA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCCCC)C1 ZINC001210750614 1372418180 /nfs/dbraw/zinc/41/81/80/1372418180.db2.gz ZZPUPWSZAJLOOV-TZMCWYRMSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCCCC)C1 ZINC001210750614 1372418182 /nfs/dbraw/zinc/41/81/82/1372418182.db2.gz ZZPUPWSZAJLOOV-TZMCWYRMSA-N 1 2 331.298 3.302 20 30 EGEDLO CC#CCCCC(=O)N1C[C@@H]2CCC[C@H](Nc3cc[nH+]c(C)n3)[C@H]2C1 ZINC001123487260 1372487458 /nfs/dbraw/zinc/48/74/58/1372487458.db2.gz NHEBBXRYIMUIBA-BZSNNMDCSA-N 1 2 340.471 3.018 20 30 EGEDLO Cc1cc(N2CCC[C@H](NC(=O)C#CC(C)C)[C@H]2C)nc(C(C)C)[nH+]1 ZINC001123568513 1372509679 /nfs/dbraw/zinc/50/96/79/1372509679.db2.gz DTQYRAVDCQBEKK-SJORKVTESA-N 1 2 342.487 3.041 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)[C@H]1C ZINC001123577659 1372513479 /nfs/dbraw/zinc/51/34/79/1372513479.db2.gz PESKWIYVFPIPTM-GOEBONIOSA-N 1 2 328.460 3.102 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCCN(c2nc(C)[nH+]c3c2CCCC3)[C@H]1C ZINC001123578185 1372514038 /nfs/dbraw/zinc/51/40/38/1372514038.db2.gz USFAFXHNBFLCSG-YOEHRIQHSA-N 1 2 342.487 3.104 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001123652110 1372541062 /nfs/dbraw/zinc/54/10/62/1372541062.db2.gz CRALQILDQRMWOT-ZBFHGGJFSA-N 1 2 330.476 3.088 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2ccc(F)cc2)C1 ZINC001211438727 1372558435 /nfs/dbraw/zinc/55/84/35/1372558435.db2.gz XTEXIEFQUDVZPP-OGHNNQOOSA-N 1 2 338.854 3.193 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2ccc(F)cc2)C1 ZINC001211438727 1372558438 /nfs/dbraw/zinc/55/84/38/1372558438.db2.gz XTEXIEFQUDVZPP-OGHNNQOOSA-N 1 2 338.854 3.193 20 30 EGEDLO COC(=O)c1cc(C#N)cc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001212698945 1372756121 /nfs/dbraw/zinc/75/61/21/1372756121.db2.gz FVXSKBOHJWLJSY-UHFFFAOYSA-N 1 2 332.363 3.333 20 30 EGEDLO COC(=O)c1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c(C#N)c1 ZINC001212699962 1372756348 /nfs/dbraw/zinc/75/63/48/1372756348.db2.gz MOYVRTBNIYDFIY-UHFFFAOYSA-N 1 2 332.363 3.333 20 30 EGEDLO N#CCc1nn(-c2ccccc2)c(Nc2cccc3[nH+]c[nH]c32)c1C#N ZINC001213030675 1372824184 /nfs/dbraw/zinc/82/41/84/1372824184.db2.gz MAMXQLICXOQMGC-UHFFFAOYSA-N 1 2 339.362 3.430 20 30 EGEDLO N#Cc1cc(Nc2ccc3[nH+]cc(Br)n3c2)ccc1N ZINC001213429356 1372905185 /nfs/dbraw/zinc/90/51/85/1372905185.db2.gz HKGKDBKMJQDEBT-UHFFFAOYSA-N 1 2 328.173 3.294 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H](CNc2cc[nH+]c(C)n2)C(C)(C)C)CC1 ZINC001126092487 1372932447 /nfs/dbraw/zinc/93/24/47/1372932447.db2.gz YDDVLBSMFHXKCM-HNNXBMFYSA-N 1 2 330.476 3.474 20 30 EGEDLO CCCCCCCC[C@H](C)C(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1OC ZINC001213895508 1372976479 /nfs/dbraw/zinc/97/64/79/1372976479.db2.gz FCJHKMIQWZZCTN-GVDBMIGSSA-N 1 2 330.488 3.158 20 30 EGEDLO CCCCCCCC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1OC ZINC001213895508 1372976480 /nfs/dbraw/zinc/97/64/80/1372976480.db2.gz FCJHKMIQWZZCTN-GVDBMIGSSA-N 1 2 330.488 3.158 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001127756276 1373174839 /nfs/dbraw/zinc/17/48/39/1373174839.db2.gz HLYBGPNIZDMKLX-ZIAGYGMSSA-N 1 2 342.487 3.113 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)CC(C)(C)C)c2C1 ZINC001128203151 1373234417 /nfs/dbraw/zinc/23/44/17/1373234417.db2.gz RFWGXJIDFXAONL-UHFFFAOYSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)CC(C)(C)C)c2C1 ZINC001128203151 1373234422 /nfs/dbraw/zinc/23/44/22/1373234422.db2.gz RFWGXJIDFXAONL-UHFFFAOYSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)C3(C)CCC3)c2C1 ZINC001128437655 1373266750 /nfs/dbraw/zinc/26/67/50/1373266750.db2.gz OPEGCFWJGRXIJZ-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)C3(C)CCC3)c2C1 ZINC001128437655 1373266754 /nfs/dbraw/zinc/26/67/54/1373266754.db2.gz OPEGCFWJGRXIJZ-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO C=CCCC[N@@H+]1Cc2cnn(C3CCN(C(=O)CC(C)C)CC3)c2C1 ZINC001130161439 1373465691 /nfs/dbraw/zinc/46/56/91/1373465691.db2.gz WGQBSUURFIJGRN-UHFFFAOYSA-N 1 2 344.503 3.375 20 30 EGEDLO C=CCCC[N@H+]1Cc2cnn(C3CCN(C(=O)CC(C)C)CC3)c2C1 ZINC001130161439 1373465694 /nfs/dbraw/zinc/46/56/94/1373465694.db2.gz WGQBSUURFIJGRN-UHFFFAOYSA-N 1 2 344.503 3.375 20 30 EGEDLO C=C(C)CCC(=O)N1CCC(n2ncc3c2C[N@H+](CC2CC2)C3)CC1 ZINC001130164805 1373467170 /nfs/dbraw/zinc/46/71/70/1373467170.db2.gz TZYIGOHFBNMFKX-UHFFFAOYSA-N 1 2 342.487 3.129 20 30 EGEDLO C=C(C)CCC(=O)N1CCC(n2ncc3c2C[N@@H+](CC2CC2)C3)CC1 ZINC001130164805 1373467173 /nfs/dbraw/zinc/46/71/73/1373467173.db2.gz TZYIGOHFBNMFKX-UHFFFAOYSA-N 1 2 342.487 3.129 20 30 EGEDLO C=C1CC[NH2+]C[C@H]1Oc1cc(O)cc2oc(-c3ccccc3)cc(=O)c12 ZINC001218204544 1373577934 /nfs/dbraw/zinc/57/79/34/1373577934.db2.gz QVWQOSLZLJJQMH-HXUWFJFHSA-N 1 2 349.386 3.463 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)/C=C\C(C)(C)C)C[C@@H](C)O2 ZINC001131645544 1373741371 /nfs/dbraw/zinc/74/13/71/1373741371.db2.gz GWMLTXUCJWLIRE-IMBIPOBTSA-N 1 2 340.895 3.033 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)/C=C\C(C)(C)C)C[C@@H](C)O2 ZINC001131645544 1373741375 /nfs/dbraw/zinc/74/13/75/1373741375.db2.gz GWMLTXUCJWLIRE-IMBIPOBTSA-N 1 2 340.895 3.033 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)/C=C/C(C)(C)C)C[C@@H](C)O2 ZINC001131645543 1373741757 /nfs/dbraw/zinc/74/17/57/1373741757.db2.gz GWMLTXUCJWLIRE-FVQGUVRESA-N 1 2 340.895 3.033 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)/C=C/C(C)(C)C)C[C@@H](C)O2 ZINC001131645543 1373741801 /nfs/dbraw/zinc/74/18/01/1373741801.db2.gz GWMLTXUCJWLIRE-FVQGUVRESA-N 1 2 340.895 3.033 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CC(C)=C(C)C)C[C@H](C)O2 ZINC001131673253 1373755970 /nfs/dbraw/zinc/75/59/70/1373755970.db2.gz ITMYHBNIKVVGKI-FUHWJXTLSA-N 1 2 340.895 3.177 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC(C)=C(C)C)C[C@H](C)O2 ZINC001131673253 1373755974 /nfs/dbraw/zinc/75/59/74/1373755974.db2.gz ITMYHBNIKVVGKI-FUHWJXTLSA-N 1 2 340.895 3.177 20 30 EGEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)c3ccc(F)c(F)c3)C[C@H]21 ZINC001221530498 1373778052 /nfs/dbraw/zinc/77/80/52/1373778052.db2.gz NULZJHUQALOTFJ-ZSZQSSIHSA-N 1 2 346.421 3.218 20 30 EGEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)c3ccc(F)c(F)c3)C[C@H]21 ZINC001221530498 1373778056 /nfs/dbraw/zinc/77/80/56/1373778056.db2.gz NULZJHUQALOTFJ-ZSZQSSIHSA-N 1 2 346.421 3.218 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)CC(F)(F)F)[C@@H]2C1 ZINC001221953079 1373807731 /nfs/dbraw/zinc/80/77/31/1373807731.db2.gz SLXHMOMXLAWATJ-YNEHKIRRSA-N 1 2 338.801 3.250 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)CC(F)(F)F)[C@@H]2C1 ZINC001221953079 1373807728 /nfs/dbraw/zinc/80/77/28/1373807728.db2.gz SLXHMOMXLAWATJ-YNEHKIRRSA-N 1 2 338.801 3.250 20 30 EGEDLO CCCSCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001131848928 1373836871 /nfs/dbraw/zinc/83/68/71/1373836871.db2.gz PKDIAJJNCNOIFU-YJBOKZPZSA-N 1 2 345.512 3.171 20 30 EGEDLO CCCSCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001131848928 1373836881 /nfs/dbraw/zinc/83/68/81/1373836881.db2.gz PKDIAJJNCNOIFU-YJBOKZPZSA-N 1 2 345.512 3.171 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001131896946 1375033237 /nfs/dbraw/zinc/03/32/37/1375033237.db2.gz XQIPYPPRDXVFDV-ZFWWWQNUSA-N 1 2 336.863 3.481 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC001131896946 1375033243 /nfs/dbraw/zinc/03/32/43/1375033243.db2.gz XQIPYPPRDXVFDV-ZFWWWQNUSA-N 1 2 336.863 3.481 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1cccc(F)c1F ZINC001132034880 1375109287 /nfs/dbraw/zinc/10/92/87/1375109287.db2.gz VZHFWXRBJFHQLG-HOCLYGCPSA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1cccc(F)c1F ZINC001132034880 1375109290 /nfs/dbraw/zinc/10/92/90/1375109290.db2.gz VZHFWXRBJFHQLG-HOCLYGCPSA-N 1 2 348.437 3.483 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2nccs2)C1 ZINC001132057480 1375124516 /nfs/dbraw/zinc/12/45/16/1375124516.db2.gz PUATWULNOXEMBR-ZBFHGGJFSA-N 1 2 333.501 3.381 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2nccs2)C1 ZINC001132057480 1375124518 /nfs/dbraw/zinc/12/45/18/1375124518.db2.gz PUATWULNOXEMBR-ZBFHGGJFSA-N 1 2 333.501 3.381 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001132072388 1375133259 /nfs/dbraw/zinc/13/32/59/1375133259.db2.gz KWBYEHPLTKXNCP-JKSUJKDBSA-N 1 2 345.487 3.379 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001132072388 1375133262 /nfs/dbraw/zinc/13/32/62/1375133262.db2.gz KWBYEHPLTKXNCP-JKSUJKDBSA-N 1 2 345.487 3.379 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2nocc2C)C1 ZINC001132078591 1375135480 /nfs/dbraw/zinc/13/54/80/1375135480.db2.gz MRFWYBBDGINERX-OCCSQVGLSA-N 1 2 339.867 3.231 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2nocc2C)C1 ZINC001132078591 1375135483 /nfs/dbraw/zinc/13/54/83/1375135483.db2.gz MRFWYBBDGINERX-OCCSQVGLSA-N 1 2 339.867 3.231 20 30 EGEDLO C=CCC1(C(=O)NCC2CC[NH+](Cc3cnns3)CC2)CCCC1 ZINC001225703493 1375148014 /nfs/dbraw/zinc/14/80/14/1375148014.db2.gz WEQJUAWZDCROPV-UHFFFAOYSA-N 1 2 348.516 3.003 20 30 EGEDLO C#CCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3nc(C)cs3)C2)CCC1 ZINC001132101112 1375148660 /nfs/dbraw/zinc/14/86/60/1375148660.db2.gz HPKRKABZEOBETD-HOTGVXAUSA-N 1 2 345.512 3.114 20 30 EGEDLO C#CCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3nc(C)cs3)C2)CCC1 ZINC001132101112 1375148662 /nfs/dbraw/zinc/14/86/62/1375148662.db2.gz HPKRKABZEOBETD-HOTGVXAUSA-N 1 2 345.512 3.114 20 30 EGEDLO C#CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3ncc(C)s3)C2)CCC1 ZINC001132101530 1375148718 /nfs/dbraw/zinc/14/87/18/1375148718.db2.gz LIKKDNBPGIRRKJ-ZBFHGGJFSA-N 1 2 345.512 3.114 20 30 EGEDLO C#CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3ncc(C)s3)C2)CCC1 ZINC001132101530 1375148719 /nfs/dbraw/zinc/14/87/19/1375148719.db2.gz LIKKDNBPGIRRKJ-ZBFHGGJFSA-N 1 2 345.512 3.114 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)CC2(C)CC2)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC001132191231 1375198766 /nfs/dbraw/zinc/19/87/66/1375198766.db2.gz RPGHBRCISJKZTM-KSSFIOAISA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)CC2(C)CC2)C[N@H+]1Cc1cc(F)ccc1C#N ZINC001132191231 1375198768 /nfs/dbraw/zinc/19/87/68/1375198768.db2.gz RPGHBRCISJKZTM-KSSFIOAISA-N 1 2 343.446 3.357 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(Cl)n2)C1 ZINC001132234948 1375229827 /nfs/dbraw/zinc/22/98/27/1375229827.db2.gz HMUYQWQWWOUHGJ-DOTOQJQBSA-N 1 2 347.890 3.398 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001132234948 1375229838 /nfs/dbraw/zinc/22/98/38/1375229838.db2.gz HMUYQWQWWOUHGJ-DOTOQJQBSA-N 1 2 347.890 3.398 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2coc(C)n2)C1 ZINC001132241076 1375236442 /nfs/dbraw/zinc/23/64/42/1375236442.db2.gz QGSJJBPHWXYWMR-DOTOQJQBSA-N 1 2 331.460 3.036 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2coc(C)n2)C1 ZINC001132241076 1375236449 /nfs/dbraw/zinc/23/64/49/1375236449.db2.gz QGSJJBPHWXYWMR-DOTOQJQBSA-N 1 2 331.460 3.036 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1noc(C)n1 ZINC001226475040 1375264522 /nfs/dbraw/zinc/26/45/22/1375264522.db2.gz VJOJFXGSTOKMAK-BPLDGKMQSA-N 1 2 334.464 3.058 20 30 EGEDLO N#C[C@H]1CC[C@@H](Oc2ncnc3c2CC[N@H+](Cc2ccccc2)C3)C1 ZINC001226558489 1375282440 /nfs/dbraw/zinc/28/24/40/1375282440.db2.gz CFXIOVGCZFWBRY-DLBZAZTESA-N 1 2 334.423 3.106 20 30 EGEDLO N#C[C@H]1CC[C@@H](Oc2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)C1 ZINC001226558489 1375282448 /nfs/dbraw/zinc/28/24/48/1375282448.db2.gz CFXIOVGCZFWBRY-DLBZAZTESA-N 1 2 334.423 3.106 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCC(F)(F)F)CC[C@@H]1C ZINC001132321174 1375299198 /nfs/dbraw/zinc/29/91/98/1375299198.db2.gz CXOIFTDWEXQPOM-RYUDHWBXSA-N 1 2 326.790 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCC(F)(F)F)CC[C@@H]1C ZINC001132321174 1375299202 /nfs/dbraw/zinc/29/92/02/1375299202.db2.gz CXOIFTDWEXQPOM-RYUDHWBXSA-N 1 2 326.790 3.441 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCN(C)c2ccccc2)CC[C@@H]1C ZINC001132365606 1375329852 /nfs/dbraw/zinc/32/98/52/1375329852.db2.gz MXMCCNWBCFZXCH-DLBZAZTESA-N 1 2 349.906 3.235 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCN(C)c2ccccc2)CC[C@@H]1C ZINC001132365606 1375329860 /nfs/dbraw/zinc/32/98/60/1375329860.db2.gz MXMCCNWBCFZXCH-DLBZAZTESA-N 1 2 349.906 3.235 20 30 EGEDLO C#CCCCCC(=O)NC1CC[NH+](Cc2ncc(C(C)C)o2)CC1 ZINC001226961406 1375372627 /nfs/dbraw/zinc/37/26/27/1375372627.db2.gz ATKAOKNDOAIBOU-UHFFFAOYSA-N 1 2 331.460 3.072 20 30 EGEDLO C#CCCCCC(=O)NC1CC[NH+]([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC001226970047 1375374833 /nfs/dbraw/zinc/37/48/33/1375374833.db2.gz SFGPFRLJLHMBLI-HNNXBMFYSA-N 1 2 346.475 3.028 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001228801757 1375681408 /nfs/dbraw/zinc/68/14/08/1375681408.db2.gz XEGNZMIBBHLITB-CQSZACIVSA-N 1 2 331.460 3.235 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C)s3)C[C@H]21 ZINC001188884198 1388399254 /nfs/dbraw/zinc/39/92/54/1388399254.db2.gz DABLWJZBOAPGNO-VNQPRFMTSA-N 1 2 333.501 3.087 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C)s3)C[C@H]21 ZINC001188884198 1388399261 /nfs/dbraw/zinc/39/92/61/1388399261.db2.gz DABLWJZBOAPGNO-VNQPRFMTSA-N 1 2 333.501 3.087 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3csc(C)n3)C[C@H]21 ZINC001188896675 1388404241 /nfs/dbraw/zinc/40/42/41/1388404241.db2.gz OEMHEQVCEDXPLP-HLLBOEOZSA-N 1 2 333.501 3.087 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](Cc3csc(C)n3)C[C@H]21 ZINC001188896675 1388404244 /nfs/dbraw/zinc/40/42/44/1388404244.db2.gz OEMHEQVCEDXPLP-HLLBOEOZSA-N 1 2 333.501 3.087 20 30 EGEDLO CO[C@@H](C)CCOc1nc(C)c(-c2ccc3[nH+]ccn3c2)cc1C#N ZINC001229768113 1375890483 /nfs/dbraw/zinc/89/04/83/1375890483.db2.gz JLWSLQSVGKIEKI-ZDUSSCGKSA-N 1 2 336.395 3.380 20 30 EGEDLO C#CCC1(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)CCCCC1 ZINC001230627224 1376106023 /nfs/dbraw/zinc/10/60/23/1376106023.db2.gz CBOVSSKVHCPITJ-IBGZPJMESA-N 1 2 341.499 3.187 20 30 EGEDLO C#CCC1(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)CCCCC1 ZINC001230627224 1376106026 /nfs/dbraw/zinc/10/60/26/1376106026.db2.gz CBOVSSKVHCPITJ-IBGZPJMESA-N 1 2 341.499 3.187 20 30 EGEDLO C[C@H](Oc1cc(F)ccc1C#N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001230638736 1376113018 /nfs/dbraw/zinc/11/30/18/1376113018.db2.gz LEQRMOLFEIABPC-MGPUTAFESA-N 1 2 340.398 3.366 20 30 EGEDLO C[C@H](Oc1cc(F)ccc1C#N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001230638736 1376113019 /nfs/dbraw/zinc/11/30/19/1376113019.db2.gz LEQRMOLFEIABPC-MGPUTAFESA-N 1 2 340.398 3.366 20 30 EGEDLO C=C(Cl)C[N@@H+](CCCNC(=O)[C@@H](C)C1CC1)Cc1cccnc1 ZINC001230722240 1376133054 /nfs/dbraw/zinc/13/30/54/1376133054.db2.gz FZXXKFYMVKQSSP-HNNXBMFYSA-N 1 2 335.879 3.189 20 30 EGEDLO C=C(Cl)C[N@H+](CCCNC(=O)[C@@H](C)C1CC1)Cc1cccnc1 ZINC001230722240 1376133058 /nfs/dbraw/zinc/13/30/58/1376133058.db2.gz FZXXKFYMVKQSSP-HNNXBMFYSA-N 1 2 335.879 3.189 20 30 EGEDLO CCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC001230773095 1376147929 /nfs/dbraw/zinc/14/79/29/1376147929.db2.gz PKBASNQLIPTCJT-GOSISDBHSA-N 1 2 343.471 3.180 20 30 EGEDLO CCCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(C#N)ccc1OC ZINC001230773095 1376147934 /nfs/dbraw/zinc/14/79/34/1376147934.db2.gz PKBASNQLIPTCJT-GOSISDBHSA-N 1 2 343.471 3.180 20 30 EGEDLO C[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1)C1CC1 ZINC001231412457 1376236120 /nfs/dbraw/zinc/23/61/20/1376236120.db2.gz CKZYOWBMMSCPAK-DNVCBOLYSA-N 1 2 344.886 3.270 20 30 EGEDLO C[C@@H](C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1)C1CC1 ZINC001231412457 1376236124 /nfs/dbraw/zinc/23/61/24/1376236124.db2.gz CKZYOWBMMSCPAK-DNVCBOLYSA-N 1 2 344.886 3.270 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccnc(C(F)F)c3)CC2)cc1 ZINC001231889046 1376335607 /nfs/dbraw/zinc/33/56/07/1376335607.db2.gz LUTSEJVJZUHHHC-UHFFFAOYSA-N 1 2 328.366 3.213 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1nc(Cl)ccc1F)C2 ZINC001232158636 1376411266 /nfs/dbraw/zinc/41/12/66/1376411266.db2.gz LSNJLZUYIZBPSQ-DYVFJYSZSA-N 1 2 340.826 3.200 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1nc(Cl)ccc1F)C2 ZINC001232158636 1376411267 /nfs/dbraw/zinc/41/12/67/1376411267.db2.gz LSNJLZUYIZBPSQ-DYVFJYSZSA-N 1 2 340.826 3.200 20 30 EGEDLO N#Cc1ccc(O)c(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC001232673222 1376499062 /nfs/dbraw/zinc/49/90/62/1376499062.db2.gz CTIZBEROVQDENP-QPJJXVBHSA-N 1 2 333.435 3.095 20 30 EGEDLO N#Cc1ccc(O)c(C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)c1 ZINC001232673141 1376499540 /nfs/dbraw/zinc/49/95/40/1376499540.db2.gz ATMBTHTXBJLURK-UHFFFAOYSA-N 1 2 338.382 3.498 20 30 EGEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CC(=O)c4ccccc43)CC2)c1 ZINC001232680579 1376501923 /nfs/dbraw/zinc/50/19/23/1376501923.db2.gz FHINLAQSBKSZCU-UHFFFAOYSA-N 1 2 332.403 3.384 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001232889445 1376532424 /nfs/dbraw/zinc/53/24/24/1376532424.db2.gz ILLXKXNYNWJLSM-IRXDYDNUSA-N 1 2 345.418 3.281 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001232889445 1376532432 /nfs/dbraw/zinc/53/24/32/1376532432.db2.gz ILLXKXNYNWJLSM-IRXDYDNUSA-N 1 2 345.418 3.281 20 30 EGEDLO CC(C)CC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)CC1 ZINC001235191237 1376858087 /nfs/dbraw/zinc/85/80/87/1376858087.db2.gz FGLAHLTUSVZVCJ-HNNXBMFYSA-N 1 2 345.512 3.479 20 30 EGEDLO CC(C)CC1(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)CC1 ZINC001235191237 1376858093 /nfs/dbraw/zinc/85/80/93/1376858093.db2.gz FGLAHLTUSVZVCJ-HNNXBMFYSA-N 1 2 345.512 3.479 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235304134 1376866199 /nfs/dbraw/zinc/86/61/99/1376866199.db2.gz RJFBKDVUDUUMHB-SNVBAGLBSA-N 1 2 327.197 3.419 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235304134 1376866204 /nfs/dbraw/zinc/86/62/04/1376866204.db2.gz RJFBKDVUDUUMHB-SNVBAGLBSA-N 1 2 327.197 3.419 20 30 EGEDLO CCc1cc(C[NH+]2CCN(CCOc3ccccc3)CC2)ccc1C#N ZINC001238775122 1377000911 /nfs/dbraw/zinc/00/09/11/1377000911.db2.gz OGOGQELMANLTKE-UHFFFAOYSA-N 1 2 349.478 3.317 20 30 EGEDLO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1=S ZINC001261656064 1377125597 /nfs/dbraw/zinc/12/55/97/1377125597.db2.gz OERSZRWBTYOHLT-CVEARBPZSA-N 1 2 336.505 3.147 20 30 EGEDLO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1=S ZINC001261656064 1377125600 /nfs/dbraw/zinc/12/56/00/1377125600.db2.gz OERSZRWBTYOHLT-CVEARBPZSA-N 1 2 336.505 3.147 20 30 EGEDLO Cc1cccc(C)c1C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001266328537 1377274835 /nfs/dbraw/zinc/27/48/35/1377274835.db2.gz HLFLTVOYBXMORL-UHFFFAOYSA-N 1 2 339.414 3.176 20 30 EGEDLO Cc1cccc(C)c1C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001266328537 1377274838 /nfs/dbraw/zinc/27/48/38/1377274838.db2.gz HLFLTVOYBXMORL-UHFFFAOYSA-N 1 2 339.414 3.176 20 30 EGEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)c1cc2occc2[nH]1)C1CC1 ZINC001266594379 1377340780 /nfs/dbraw/zinc/34/07/80/1377340780.db2.gz KFEVCHFCAWQIGF-UHFFFAOYSA-N 1 2 348.406 3.027 20 30 EGEDLO N#Cc1ccccc1C[N@H+](CCNC(=O)c1cc2occc2[nH]1)C1CC1 ZINC001266594379 1377340783 /nfs/dbraw/zinc/34/07/83/1377340783.db2.gz KFEVCHFCAWQIGF-UHFFFAOYSA-N 1 2 348.406 3.027 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001268256652 1377502202 /nfs/dbraw/zinc/50/22/02/1377502202.db2.gz ITOMWVRIEZFIFT-UONOGXRCSA-N 1 2 342.817 3.211 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001268256652 1377502204 /nfs/dbraw/zinc/50/22/04/1377502204.db2.gz ITOMWVRIEZFIFT-UONOGXRCSA-N 1 2 342.817 3.211 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1cccc(C)c1F ZINC001137676068 1377588615 /nfs/dbraw/zinc/58/86/15/1377588615.db2.gz IJSVFHWBJDINMM-QGZVFWFLSA-N 1 2 329.419 3.170 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1cccc(C)c1F ZINC001137676068 1377588628 /nfs/dbraw/zinc/58/86/28/1377588628.db2.gz IJSVFHWBJDINMM-QGZVFWFLSA-N 1 2 329.419 3.170 20 30 EGEDLO COc1ccc(C[N@@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)c(C#N)c1 ZINC001137703428 1377599238 /nfs/dbraw/zinc/59/92/38/1377599238.db2.gz LPYRGWXTRYBCAT-KRWDZBQOSA-N 1 2 344.361 3.498 20 30 EGEDLO COc1ccc(C[N@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)c(C#N)c1 ZINC001137703428 1377599245 /nfs/dbraw/zinc/59/92/45/1377599245.db2.gz LPYRGWXTRYBCAT-KRWDZBQOSA-N 1 2 344.361 3.498 20 30 EGEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC001137905838 1377642498 /nfs/dbraw/zinc/64/24/98/1377642498.db2.gz FVJCLHAKCOITEJ-MRXNPFEDSA-N 1 2 344.418 3.239 20 30 EGEDLO C#C[C@@H]1CCC[N@@H+](Cc2cc(OC)c(Br)cc2OC)C1 ZINC001138913322 1377802974 /nfs/dbraw/zinc/80/29/74/1377802974.db2.gz BMPJHAQUSPQQGS-GFCCVEGCSA-N 1 2 338.245 3.312 20 30 EGEDLO C#C[C@@H]1CCC[N@H+](Cc2cc(OC)c(Br)cc2OC)C1 ZINC001138913322 1377802975 /nfs/dbraw/zinc/80/29/75/1377802975.db2.gz BMPJHAQUSPQQGS-GFCCVEGCSA-N 1 2 338.245 3.312 20 30 EGEDLO C=CCOC(=O)N1CC[NH+](Cc2ccc(OCC)c(CC)c2)CC1 ZINC001139625410 1377920907 /nfs/dbraw/zinc/92/09/07/1377920907.db2.gz FPRZAFNOAHFATA-UHFFFAOYSA-N 1 2 332.444 3.088 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001139649525 1377926087 /nfs/dbraw/zinc/92/60/87/1377926087.db2.gz MNIDONVNDIOZAZ-CZUORRHYSA-N 1 2 347.434 3.432 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001139649525 1377926091 /nfs/dbraw/zinc/92/60/91/1377926091.db2.gz MNIDONVNDIOZAZ-CZUORRHYSA-N 1 2 347.434 3.432 20 30 EGEDLO SC1CC[NH+](Cc2[nH]nc3ccc(Br)cc32)CC1 ZINC001139658572 1377927595 /nfs/dbraw/zinc/92/75/95/1377927595.db2.gz MKSSIVVVPDVYEU-UHFFFAOYSA-N 1 2 326.263 3.220 20 30 EGEDLO SC1CC[NH+](Cc2n[nH]c3ccc(Br)cc32)CC1 ZINC001139658572 1377927600 /nfs/dbraw/zinc/92/76/00/1377927600.db2.gz MKSSIVVVPDVYEU-UHFFFAOYSA-N 1 2 326.263 3.220 20 30 EGEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001139690633 1377935117 /nfs/dbraw/zinc/93/51/17/1377935117.db2.gz FIUDKHUAUWEVQD-QFBILLFUSA-N 1 2 346.858 3.372 20 30 EGEDLO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001139690633 1377935118 /nfs/dbraw/zinc/93/51/18/1377935118.db2.gz FIUDKHUAUWEVQD-QFBILLFUSA-N 1 2 346.858 3.372 20 30 EGEDLO CCc1ncnc2c1CC[N@H+](Cc1cccc(Cl)c1C#N)CC2 ZINC001139688590 1377935297 /nfs/dbraw/zinc/93/52/97/1377935297.db2.gz ABHOXOIFSMDQGJ-UHFFFAOYSA-N 1 2 326.831 3.165 20 30 EGEDLO CCc1ncnc2c1CC[N@@H+](Cc1cccc(Cl)c1C#N)CC2 ZINC001139688590 1377935301 /nfs/dbraw/zinc/93/53/01/1377935301.db2.gz ABHOXOIFSMDQGJ-UHFFFAOYSA-N 1 2 326.831 3.165 20 30 EGEDLO CC(C)(C)C(=O)NC1CC[NH+](Cc2cccc(Cl)c2C#N)CC1 ZINC001139693338 1377936124 /nfs/dbraw/zinc/93/61/24/1377936124.db2.gz ZIQJTBLLZBTFDM-UHFFFAOYSA-N 1 2 333.863 3.338 20 30 EGEDLO CSc1ncc2c(n1)C[N@@H+](Cc1c[nH]c3c1cccc3C#N)CC2 ZINC001139706651 1377938115 /nfs/dbraw/zinc/93/81/15/1377938115.db2.gz CWEICTONTWMBAH-UHFFFAOYSA-N 1 2 335.436 3.110 20 30 EGEDLO CSc1ncc2c(n1)C[N@H+](Cc1c[nH]c3c1cccc3C#N)CC2 ZINC001139706651 1377938116 /nfs/dbraw/zinc/93/81/16/1377938116.db2.gz CWEICTONTWMBAH-UHFFFAOYSA-N 1 2 335.436 3.110 20 30 EGEDLO CC(C)(C)OC(=O)NC1CC2(C1)C[NH+](Cc1cc(F)cc(C#N)c1)C2 ZINC001139875439 1377969849 /nfs/dbraw/zinc/96/98/49/1377969849.db2.gz NNXPGOYLBMMWBO-UHFFFAOYSA-N 1 2 345.418 3.186 20 30 EGEDLO Cc1ccc(Cl)nc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC001140442082 1378062827 /nfs/dbraw/zinc/06/28/27/1378062827.db2.gz XFLIDSJFMXIXJG-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3cc(C#N)ccc3Cl)C[C@@H]21 ZINC001140604004 1378096323 /nfs/dbraw/zinc/09/63/23/1378096323.db2.gz MRLCCGZJSVVWSC-ZBFHGGJFSA-N 1 2 347.846 3.263 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3cc(C#N)ccc3Cl)C[C@@H]21 ZINC001140604004 1378096324 /nfs/dbraw/zinc/09/63/24/1378096324.db2.gz MRLCCGZJSVVWSC-ZBFHGGJFSA-N 1 2 347.846 3.263 20 30 EGEDLO CCOC(=O)C1(CC)CC[NH+](Cc2cc(F)c(C#N)c(F)c2)CC1 ZINC001140756883 1378131174 /nfs/dbraw/zinc/13/11/74/1378131174.db2.gz RMSWHLQMQGYMDS-UHFFFAOYSA-N 1 2 336.382 3.392 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)c1Cl ZINC001140814529 1378149195 /nfs/dbraw/zinc/14/91/95/1378149195.db2.gz KWIMBJYRSCFGSR-MRXNPFEDSA-N 1 2 331.847 3.092 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)c1Cl ZINC001140814529 1378149203 /nfs/dbraw/zinc/14/92/03/1378149203.db2.gz KWIMBJYRSCFGSR-MRXNPFEDSA-N 1 2 331.847 3.092 20 30 EGEDLO Cc1ccnc(O[C@H]2CCC[N@H+](Cc3ccc(F)cc3C#N)C2)c1 ZINC001141167384 1378257214 /nfs/dbraw/zinc/25/72/14/1378257214.db2.gz KHCFZYNZJBEKHY-SFHVURJKSA-N 1 2 325.387 3.444 20 30 EGEDLO Cc1ccnc(O[C@H]2CCC[N@@H+](Cc3ccc(F)cc3C#N)C2)c1 ZINC001141167384 1378257218 /nfs/dbraw/zinc/25/72/18/1378257218.db2.gz KHCFZYNZJBEKHY-SFHVURJKSA-N 1 2 325.387 3.444 20 30 EGEDLO Cn1cc[nH+]c1CCC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC001141700444 1378364419 /nfs/dbraw/zinc/36/44/19/1378364419.db2.gz DVQYLQYIAJDCNA-UHFFFAOYSA-N 1 2 347.378 3.050 20 30 EGEDLO C#CC[N@@H+](Cc1cnc(Cl)nc1NC)[C@@H]1CCc2ccccc21 ZINC001142491450 1378447938 /nfs/dbraw/zinc/44/79/38/1378447938.db2.gz PULSAWMVLTVMTP-MRXNPFEDSA-N 1 2 326.831 3.294 20 30 EGEDLO C#CC[N@H+](Cc1cnc(Cl)nc1NC)[C@@H]1CCc2ccccc21 ZINC001142491450 1378447941 /nfs/dbraw/zinc/44/79/41/1378447941.db2.gz PULSAWMVLTVMTP-MRXNPFEDSA-N 1 2 326.831 3.294 20 30 EGEDLO CCc1noc([C@H]2CCC[N@H+](Cc3c(F)ccc(C#N)c3F)C2)n1 ZINC001143173691 1378553038 /nfs/dbraw/zinc/55/30/38/1378553038.db2.gz COSGFNNAQCQCID-LBPRGKRZSA-N 1 2 332.354 3.161 20 30 EGEDLO CCc1noc([C@H]2CCC[N@@H+](Cc3c(F)ccc(C#N)c3F)C2)n1 ZINC001143173691 1378553044 /nfs/dbraw/zinc/55/30/44/1378553044.db2.gz COSGFNNAQCQCID-LBPRGKRZSA-N 1 2 332.354 3.161 20 30 EGEDLO CC(C)(C)OC(=O)C[C@@H]1CC[N@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143175997 1378554749 /nfs/dbraw/zinc/55/47/49/1378554749.db2.gz MYDGIMHXEPPVHM-LBPRGKRZSA-N 1 2 336.382 3.390 20 30 EGEDLO CC(C)(C)OC(=O)C[C@@H]1CC[N@@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143175997 1378554755 /nfs/dbraw/zinc/55/47/55/1378554755.db2.gz MYDGIMHXEPPVHM-LBPRGKRZSA-N 1 2 336.382 3.390 20 30 EGEDLO C[C@H](NC(=O)CCC1(C)CC1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001282743547 1378594801 /nfs/dbraw/zinc/59/48/01/1378594801.db2.gz YWBSAJQSKKARBN-AWEZNQCLSA-N 1 2 343.446 3.214 20 30 EGEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC001143726535 1378639398 /nfs/dbraw/zinc/63/93/98/1378639398.db2.gz UBQUBDYETJQHMU-UHFFFAOYSA-N 1 2 331.847 3.046 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2)C1 ZINC001144495023 1378738034 /nfs/dbraw/zinc/73/80/34/1378738034.db2.gz LERYJGYGZSRPAQ-HNNXBMFYSA-N 1 2 338.835 3.225 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2)C1 ZINC001144495023 1378738037 /nfs/dbraw/zinc/73/80/37/1378738037.db2.gz LERYJGYGZSRPAQ-HNNXBMFYSA-N 1 2 338.835 3.225 20 30 EGEDLO O=C(/C=C/C(=O)c1ccccc1)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001144708721 1378761633 /nfs/dbraw/zinc/76/16/33/1378761633.db2.gz MJDMLDDSINBCQB-ZHACJKMWSA-N 1 2 331.375 3.309 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@@H+](Cc1ccn(C(C)C)n1)C2 ZINC001147653119 1379057020 /nfs/dbraw/zinc/05/70/20/1379057020.db2.gz ZATGDOVBVRDWAU-UHFFFAOYSA-N 1 2 344.503 3.101 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@H+](Cc1ccn(C(C)C)n1)C2 ZINC001147653119 1379057028 /nfs/dbraw/zinc/05/70/28/1379057028.db2.gz ZATGDOVBVRDWAU-UHFFFAOYSA-N 1 2 344.503 3.101 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C(C)C)o1)C2 ZINC001148096296 1379118140 /nfs/dbraw/zinc/11/81/40/1379118140.db2.gz YYUAOOKEDIGCOI-HOTGVXAUSA-N 1 2 345.487 3.291 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C(C)C)o1)C2 ZINC001148096296 1379118144 /nfs/dbraw/zinc/11/81/44/1379118144.db2.gz YYUAOOKEDIGCOI-HOTGVXAUSA-N 1 2 345.487 3.291 20 30 EGEDLO CCCCCCCCC(=O)NCC[NH2+][C@@H](C)c1nc(C2CC2)no1 ZINC001148728033 1379255058 /nfs/dbraw/zinc/25/50/58/1379255058.db2.gz SJWCIKKZQUPUOL-AWEZNQCLSA-N 1 2 336.480 3.464 20 30 EGEDLO CCCCCCCCCCC(=O)NCC[NH2+]Cc1csnn1 ZINC001148764017 1379264116 /nfs/dbraw/zinc/26/41/16/1379264116.db2.gz NQZYENMSTDTZJZ-UHFFFAOYSA-N 1 2 326.510 3.275 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)CC2(C)CCCCC2)C1 ZINC001149966526 1379476233 /nfs/dbraw/zinc/47/62/33/1379476233.db2.gz LLLWWRORRMZLQV-MRXNPFEDSA-N 1 2 342.911 3.307 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)CC2(C)CCCCC2)C1 ZINC001149966526 1379476237 /nfs/dbraw/zinc/47/62/37/1379476237.db2.gz LLLWWRORRMZLQV-MRXNPFEDSA-N 1 2 342.911 3.307 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C2(C)CCC(C)CC2)C1 ZINC001150795916 1379616984 /nfs/dbraw/zinc/61/69/84/1379616984.db2.gz ROLHFRGTPMQFCZ-BFHRDPOASA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C2(C)CCC(C)CC2)C1 ZINC001150795916 1379616986 /nfs/dbraw/zinc/61/69/86/1379616986.db2.gz ROLHFRGTPMQFCZ-BFHRDPOASA-N 1 2 342.911 3.162 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2coc(C3CC3)n2)CCC1 ZINC001153783720 1380128453 /nfs/dbraw/zinc/12/84/53/1380128453.db2.gz OBEAUKAFJNOKCP-OAHLLOKOSA-N 1 2 343.471 3.072 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2coc(C3CC3)n2)CCC1 ZINC001153783720 1380128455 /nfs/dbraw/zinc/12/84/55/1380128455.db2.gz OBEAUKAFJNOKCP-OAHLLOKOSA-N 1 2 343.471 3.072 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001154385869 1380268650 /nfs/dbraw/zinc/26/86/50/1380268650.db2.gz ZFAXITDACJZGQS-SNPRPXQTSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001154385869 1380268651 /nfs/dbraw/zinc/26/86/51/1380268651.db2.gz ZFAXITDACJZGQS-SNPRPXQTSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1nccn1C(F)F ZINC001154742312 1380344020 /nfs/dbraw/zinc/34/40/20/1380344020.db2.gz CJAQITCYNZSEOM-ZIAGYGMSSA-N 1 2 342.434 3.207 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nccn1C(F)F ZINC001154742312 1380344021 /nfs/dbraw/zinc/34/40/21/1380344021.db2.gz CJAQITCYNZSEOM-ZIAGYGMSSA-N 1 2 342.434 3.207 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[N@H+](CC)Cc1nccn1C(F)F ZINC001155067092 1380402612 /nfs/dbraw/zinc/40/26/12/1380402612.db2.gz RIZLJCJVFUVPCW-DYVFJYSZSA-N 1 2 342.434 3.207 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nccn1C(F)F ZINC001155067092 1380402614 /nfs/dbraw/zinc/40/26/14/1380402614.db2.gz RIZLJCJVFUVPCW-DYVFJYSZSA-N 1 2 342.434 3.207 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@H+](CC)Cc1csnc1OC ZINC001155073604 1380403227 /nfs/dbraw/zinc/40/32/27/1380403227.db2.gz ZGJIFAIUXHUKFT-CXAGYDPISA-N 1 2 339.505 3.081 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1csnc1OC ZINC001155073604 1380403228 /nfs/dbraw/zinc/40/32/28/1380403228.db2.gz ZGJIFAIUXHUKFT-CXAGYDPISA-N 1 2 339.505 3.081 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H](C)[N@H+](CC)Cc2ccncc2Cl)C1 ZINC001155132622 1380414761 /nfs/dbraw/zinc/41/47/61/1380414761.db2.gz QBKNPLRENSBPNV-CQSZACIVSA-N 1 2 335.879 3.418 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2ccncc2Cl)C1 ZINC001155132622 1380414764 /nfs/dbraw/zinc/41/47/64/1380414764.db2.gz QBKNPLRENSBPNV-CQSZACIVSA-N 1 2 335.879 3.418 20 30 EGEDLO COC(=O)c1cccc(C2CCN(c3cc(CC#N)cc[nH+]3)CC2)c1 ZINC001155316418 1380436329 /nfs/dbraw/zinc/43/63/29/1380436329.db2.gz KJNLYFKYAVLQGJ-UHFFFAOYSA-N 1 2 335.407 3.318 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)CC(C)C ZINC001156040567 1380515825 /nfs/dbraw/zinc/51/58/25/1380515825.db2.gz BJUORAGHWFMFDL-TZMCWYRMSA-N 1 2 333.314 3.404 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)CC(C)C ZINC001156040567 1380515826 /nfs/dbraw/zinc/51/58/26/1380515826.db2.gz BJUORAGHWFMFDL-TZMCWYRMSA-N 1 2 333.314 3.404 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2nonc2C)CCCCC1 ZINC001157058173 1380764737 /nfs/dbraw/zinc/76/47/37/1380764737.db2.gz OEVHKBVCMFGFAK-OAHLLOKOSA-N 1 2 348.491 3.231 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2nonc2C)CCCCC1 ZINC001157058173 1380764743 /nfs/dbraw/zinc/76/47/43/1380764743.db2.gz OEVHKBVCMFGFAK-OAHLLOKOSA-N 1 2 348.491 3.231 20 30 EGEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(C(C)C)o1 ZINC001157907778 1381067409 /nfs/dbraw/zinc/06/74/09/1381067409.db2.gz FHPKZEOVHDYONH-QGZVFWFLSA-N 1 2 345.487 3.414 20 30 EGEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(C(C)C)o1 ZINC001157907778 1381067413 /nfs/dbraw/zinc/06/74/13/1381067413.db2.gz FHPKZEOVHDYONH-QGZVFWFLSA-N 1 2 345.487 3.414 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccn(C)n1 ZINC001157994650 1381096493 /nfs/dbraw/zinc/09/64/93/1381096493.db2.gz QEIBIESFSIDGDX-LJQANCHMSA-N 1 2 344.503 3.001 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccn(C)n1 ZINC001157994650 1381096498 /nfs/dbraw/zinc/09/64/98/1381096498.db2.gz QEIBIESFSIDGDX-LJQANCHMSA-N 1 2 344.503 3.001 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1coc(C)n1 ZINC001158378112 1381225294 /nfs/dbraw/zinc/22/52/94/1381225294.db2.gz XVKCXTCOQAUZCO-SJLPKXTDSA-N 1 2 333.476 3.398 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1coc(C)n1 ZINC001158378112 1381225300 /nfs/dbraw/zinc/22/53/00/1381225300.db2.gz XVKCXTCOQAUZCO-SJLPKXTDSA-N 1 2 333.476 3.398 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)c2ccccc2)CC1 ZINC001159117999 1381609217 /nfs/dbraw/zinc/60/92/17/1381609217.db2.gz POQHYAIPNBNNAA-UHFFFAOYSA-N 1 2 349.272 3.347 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)c2ccccc2)CC1 ZINC001159117999 1381609241 /nfs/dbraw/zinc/60/92/41/1381609241.db2.gz POQHYAIPNBNNAA-UHFFFAOYSA-N 1 2 349.272 3.347 20 30 EGEDLO CCCc1cc(C#N)c(N[C@H]2CCC[C@@H]2[NH+]2CCOCC2)nc1Cl ZINC001160726928 1382180196 /nfs/dbraw/zinc/18/01/96/1382180196.db2.gz WHXOTWSLCAFOLI-HOTGVXAUSA-N 1 2 348.878 3.224 20 30 EGEDLO CCCc1cc(C#N)c(N[C@@H]2CCC[C@H]2[NH+]2CCOCC2)nc1Cl ZINC001160726929 1382180238 /nfs/dbraw/zinc/18/02/38/1382180238.db2.gz WHXOTWSLCAFOLI-HZPDHXFCSA-N 1 2 348.878 3.224 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@H+]([C@H](C)c2ncccn2)CC1 ZINC001160856778 1382217122 /nfs/dbraw/zinc/21/71/22/1382217122.db2.gz PRUIHHGZESJEBP-MRXNPFEDSA-N 1 2 342.487 3.278 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@@H+]([C@H](C)c2ncccn2)CC1 ZINC001160856778 1382217126 /nfs/dbraw/zinc/21/71/26/1382217126.db2.gz PRUIHHGZESJEBP-MRXNPFEDSA-N 1 2 342.487 3.278 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@H+]([C@@H](C)c2nnc(CC)o2)CC1 ZINC001160888223 1382225101 /nfs/dbraw/zinc/22/51/01/1382225101.db2.gz AZJZPUQYWDBRNN-AWEZNQCLSA-N 1 2 346.475 3.044 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nnc(CC)o2)CC1 ZINC001160888223 1382225106 /nfs/dbraw/zinc/22/51/06/1382225106.db2.gz AZJZPUQYWDBRNN-AWEZNQCLSA-N 1 2 346.475 3.044 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@@H+]([C@H](C)c2nc(C)no2)CC1 ZINC001160990466 1382263640 /nfs/dbraw/zinc/26/36/40/1382263640.db2.gz AUADYELFULIXJN-LSDHHAIUSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@H+]([C@H](C)c2nc(C)no2)CC1 ZINC001160990466 1382263641 /nfs/dbraw/zinc/26/36/41/1382263641.db2.gz AUADYELFULIXJN-LSDHHAIUSA-N 1 2 346.475 3.180 20 30 EGEDLO C=CCCCC(=O)NCCC1=CC[N@H+](Cc2csnc2OC)CC1 ZINC001161062804 1382287334 /nfs/dbraw/zinc/28/73/34/1382287334.db2.gz QIXSUHBYYPZXDF-UHFFFAOYSA-N 1 2 349.500 3.146 20 30 EGEDLO C=CCCCC(=O)NCCC1=CC[N@@H+](Cc2csnc2OC)CC1 ZINC001161062804 1382287338 /nfs/dbraw/zinc/28/73/38/1382287338.db2.gz QIXSUHBYYPZXDF-UHFFFAOYSA-N 1 2 349.500 3.146 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@H+](Cc2nccc(C)n2)CC1 ZINC001161116820 1382305310 /nfs/dbraw/zinc/30/53/10/1382305310.db2.gz UCDPTYNGBALAMX-FQEVSTJZSA-N 1 2 342.487 3.026 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@@H+](Cc2nccc(C)n2)CC1 ZINC001161116820 1382305313 /nfs/dbraw/zinc/30/53/13/1382305313.db2.gz UCDPTYNGBALAMX-FQEVSTJZSA-N 1 2 342.487 3.026 20 30 EGEDLO Cc1cc(C#N)cc(NC2CC[NH+](CC(=O)c3ccccc3)CC2)n1 ZINC001161151366 1382318287 /nfs/dbraw/zinc/31/82/87/1382318287.db2.gz QYYOFRCYRTVAOB-UHFFFAOYSA-N 1 2 334.423 3.021 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1=CC[N@H+](Cc2nccs2)CC1 ZINC001161336229 1382373421 /nfs/dbraw/zinc/37/34/21/1382373421.db2.gz OZBOCZIOROKJBO-UHFFFAOYSA-N 1 2 333.501 3.384 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2nccs2)CC1 ZINC001161336229 1382373425 /nfs/dbraw/zinc/37/34/25/1382373425.db2.gz OZBOCZIOROKJBO-UHFFFAOYSA-N 1 2 333.501 3.384 20 30 EGEDLO N#Cc1ccc2cc[nH+]c(NCc3cn(Cc4ccccn4)cn3)c2c1 ZINC001162011421 1382599898 /nfs/dbraw/zinc/59/98/98/1382599898.db2.gz WYYUANDAWUALPA-UHFFFAOYSA-N 1 2 340.390 3.358 20 30 EGEDLO C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)C(F)C(F)(F)F ZINC001162816699 1382884471 /nfs/dbraw/zinc/88/44/71/1382884471.db2.gz BSPLTZBGZSLLKU-OAHLLOKOSA-N 1 2 346.368 3.124 20 30 EGEDLO C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](F)C(F)(F)F ZINC001162816699 1382884475 /nfs/dbraw/zinc/88/44/75/1382884475.db2.gz BSPLTZBGZSLLKU-OAHLLOKOSA-N 1 2 346.368 3.124 20 30 EGEDLO C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)C(F)C(F)(F)F ZINC001162822625 1382887210 /nfs/dbraw/zinc/88/72/10/1382887210.db2.gz VPCZHJXDWCDGDB-HNNXBMFYSA-N 1 2 346.368 3.124 20 30 EGEDLO C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](F)C(F)(F)F ZINC001162822625 1382887217 /nfs/dbraw/zinc/88/72/17/1382887217.db2.gz VPCZHJXDWCDGDB-HNNXBMFYSA-N 1 2 346.368 3.124 20 30 EGEDLO CCN(CC)C(=O)[C@H]1CCCN(c2[nH+]ccc3ccc(C#N)cc32)C1 ZINC001163563649 1383080048 /nfs/dbraw/zinc/08/00/48/1383080048.db2.gz UWECZXAQPCWCTQ-KRWDZBQOSA-N 1 2 336.439 3.191 20 30 EGEDLO CC(C)C(=O)N1CC[C@@H]2CN(c3[nH+]ccc4ccc(C#N)cc43)CC[C@@H]21 ZINC001166083961 1383388329 /nfs/dbraw/zinc/38/83/29/1383388329.db2.gz ZJDJUXDLAKXKDO-MJGOQNOKSA-N 1 2 348.450 3.190 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12CN(c1cc(SC)cc[nH+]1)CCO2 ZINC001166370011 1383416048 /nfs/dbraw/zinc/41/60/48/1383416048.db2.gz BJDTYQPUEBPDSS-CRAIPNDOSA-N 1 2 334.485 3.382 20 30 EGEDLO CC(C)C(=O)N1CCC[C@@]12CCN(c1[nH+]ccc3ccc(C#N)cc31)C2 ZINC001166472304 1383425701 /nfs/dbraw/zinc/42/57/01/1383425701.db2.gz ALFYJOUKWGZBOC-NRFANRHFSA-N 1 2 348.450 3.334 20 30 EGEDLO C[C@H]1[C@H](c2cccc(F)c2)OCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC001307870242 1384046870 /nfs/dbraw/zinc/04/68/70/1384046870.db2.gz YXMYEHBHSGLMJR-PNHOKKKMSA-N 1 2 340.398 3.193 20 30 EGEDLO C[C@H]1[C@H](c2cccc(F)c2)OCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC001307870242 1384046875 /nfs/dbraw/zinc/04/68/75/1384046875.db2.gz YXMYEHBHSGLMJR-PNHOKKKMSA-N 1 2 340.398 3.193 20 30 EGEDLO COC(=O)c1ccc(C(=[NH2+])Nc2cc(Cl)nc3[nH]ccc32)cc1 ZINC001170981026 1384422785 /nfs/dbraw/zinc/42/27/85/1384422785.db2.gz VJPYXKYYCIWQIC-UHFFFAOYSA-N 1 2 328.759 3.040 20 30 EGEDLO COC(=O)c1ccc(C(=[NH2+])Nc2cncc(-c3ccncc3)c2C)cc1 ZINC001170989146 1384425374 /nfs/dbraw/zinc/42/53/74/1384425374.db2.gz LEDOUZUTEAUFAD-UHFFFAOYSA-N 1 2 346.390 3.276 20 30 EGEDLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171195248 1384465750 /nfs/dbraw/zinc/46/57/50/1384465750.db2.gz QKOGCPURUUQULO-IFXJQAMLSA-N 1 2 340.398 3.002 20 30 EGEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1Cc2cnn(C3CCOCC3)c2C1 ZINC001171229527 1384475014 /nfs/dbraw/zinc/47/50/14/1384475014.db2.gz OLZYUMGYEKBIQD-HNNXBMFYSA-N 1 2 336.439 3.053 20 30 EGEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1Cc2cnn(C3CCOCC3)c2C1 ZINC001171229527 1384475017 /nfs/dbraw/zinc/47/50/17/1384475017.db2.gz OLZYUMGYEKBIQD-HNNXBMFYSA-N 1 2 336.439 3.053 20 30 EGEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@H](CC)O1 ZINC001171320615 1384494028 /nfs/dbraw/zinc/49/40/28/1384494028.db2.gz MMYFYGNPRBNTNF-MOXMWUHRSA-N 1 2 349.519 3.195 20 30 EGEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@H](CC)O1 ZINC001171320615 1384494029 /nfs/dbraw/zinc/49/40/29/1384494029.db2.gz MMYFYGNPRBNTNF-MOXMWUHRSA-N 1 2 349.519 3.195 20 30 EGEDLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172300735 1384763682 /nfs/dbraw/zinc/76/36/82/1384763682.db2.gz YJECQOMFLXSUMC-IFXJQAMLSA-N 1 2 340.398 3.002 20 30 EGEDLO COC(=O)[C@H](CCc1ccccc1)[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172301292 1384763936 /nfs/dbraw/zinc/76/39/36/1384763936.db2.gz MCIQVDBXFKQKRQ-JXFKEZNVSA-N 1 2 336.435 3.253 20 30 EGEDLO CCOCc1cnc2n1CC[N@H+]([C@@H](C)Cc1ccc(C#N)cc1)[C@H]2C ZINC001172305801 1384764317 /nfs/dbraw/zinc/76/43/17/1384764317.db2.gz UOUAQWCAQSVHIA-HOTGVXAUSA-N 1 2 338.455 3.299 20 30 EGEDLO CCOCc1cnc2n1CC[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)[C@H]2C ZINC001172305801 1384764321 /nfs/dbraw/zinc/76/43/21/1384764321.db2.gz UOUAQWCAQSVHIA-HOTGVXAUSA-N 1 2 338.455 3.299 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)C[C@H]1C#N ZINC001172981606 1384895277 /nfs/dbraw/zinc/89/52/77/1384895277.db2.gz XNZROXJDQHQKSD-AYMQEEERSA-N 1 2 343.418 3.050 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@@](C)(F)[C@@H](F)C2)C[C@H]1C#N ZINC001172981606 1384895281 /nfs/dbraw/zinc/89/52/81/1384895281.db2.gz XNZROXJDQHQKSD-AYMQEEERSA-N 1 2 343.418 3.050 20 30 EGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(C#N)cc1F ZINC001335875331 1388957618 /nfs/dbraw/zinc/95/76/18/1388957618.db2.gz PWLWQXAKJDBORL-UHFFFAOYSA-N 1 2 328.391 3.009 20 30 EGEDLO CC[C@@H](CC(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F)C(C)C ZINC001317466874 1385159771 /nfs/dbraw/zinc/15/97/71/1385159771.db2.gz JJUXPJDEPJKMLA-INIZCTEOSA-N 1 2 333.451 3.318 20 30 EGEDLO CC[C@@H](CC(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F)C(C)C ZINC001317466874 1385159774 /nfs/dbraw/zinc/15/97/74/1385159774.db2.gz JJUXPJDEPJKMLA-INIZCTEOSA-N 1 2 333.451 3.318 20 30 EGEDLO C=CCOC(=O)c1ccccc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174979454 1385177897 /nfs/dbraw/zinc/17/78/97/1385177897.db2.gz KHICWARZRHBQEE-UHFFFAOYSA-N 1 2 339.395 3.005 20 30 EGEDLO C[C@H](C(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1)C1CCC1 ZINC001317551473 1385311043 /nfs/dbraw/zinc/31/10/43/1385311043.db2.gz GYQYNBHNGNRJSP-AWEZNQCLSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H](C(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1)C1CCC1 ZINC001317551473 1385311048 /nfs/dbraw/zinc/31/10/48/1385311048.db2.gz GYQYNBHNGNRJSP-AWEZNQCLSA-N 1 2 343.446 3.214 20 30 EGEDLO CC(F)(F)CCC(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1 ZINC001317553256 1385316065 /nfs/dbraw/zinc/31/60/65/1385316065.db2.gz HZXJPPGNVZLMKS-UHFFFAOYSA-N 1 2 335.398 3.074 20 30 EGEDLO CC(F)(F)CCC(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1 ZINC001317553256 1385316066 /nfs/dbraw/zinc/31/60/66/1385316066.db2.gz HZXJPPGNVZLMKS-UHFFFAOYSA-N 1 2 335.398 3.074 20 30 EGEDLO C=CCn1cnn(C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2)c1=S ZINC001317732594 1385428675 /nfs/dbraw/zinc/42/86/75/1385428675.db2.gz WRFLHZHJOFSRRM-MRXNPFEDSA-N 1 2 330.457 3.403 20 30 EGEDLO C=CCn1cnn(C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)c1=S ZINC001317732594 1385428676 /nfs/dbraw/zinc/42/86/76/1385428676.db2.gz WRFLHZHJOFSRRM-MRXNPFEDSA-N 1 2 330.457 3.403 20 30 EGEDLO Cc1nc(Nc2ccc(F)c(C#N)c2)cc(N2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC001176613057 1385640926 /nfs/dbraw/zinc/64/09/26/1385640926.db2.gz PXIOOHMWSFAVLT-VXGBXAGGSA-N 1 2 341.390 3.153 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@@H+](Cc3cc(C)cc(C)c3)[C@@H]2C1 ZINC001176948895 1385752983 /nfs/dbraw/zinc/75/29/83/1385752983.db2.gz GNHGCLGIGHZXME-UXHICEINSA-N 1 2 342.483 3.071 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@H+](Cc3cc(C)cc(C)c3)[C@@H]2C1 ZINC001176948895 1385752988 /nfs/dbraw/zinc/75/29/88/1385752988.db2.gz GNHGCLGIGHZXME-UXHICEINSA-N 1 2 342.483 3.071 20 30 EGEDLO CC(C)(NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1)c1ccc(C#N)cc1 ZINC001176970103 1385758685 /nfs/dbraw/zinc/75/86/85/1385758685.db2.gz JQSDRSJEPQVSAQ-QGZVFWFLSA-N 1 2 348.450 3.221 20 30 EGEDLO N#CC1(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)CCC1 ZINC001318609553 1385794282 /nfs/dbraw/zinc/79/42/82/1385794282.db2.gz UBARDAGXZBYEJM-UHFFFAOYSA-N 1 2 337.427 3.181 20 30 EGEDLO C[Si](C)(C)C#Cc1cccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC001178118177 1386135093 /nfs/dbraw/zinc/13/50/93/1386135093.db2.gz QQKNHKWZUPHFEL-MRXNPFEDSA-N 1 2 337.499 3.313 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1CC ZINC001320049258 1386475893 /nfs/dbraw/zinc/47/58/93/1386475893.db2.gz ZTIRYHPRXCWCRK-ZWKOTPCHSA-N 1 2 334.891 3.495 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1CC ZINC001320049258 1386475898 /nfs/dbraw/zinc/47/58/98/1386475898.db2.gz ZTIRYHPRXCWCRK-ZWKOTPCHSA-N 1 2 334.891 3.495 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]([NH2+][C@H](C)c2nc(C(C)(C)C)no2)[C@@H]1C ZINC001179452268 1386484915 /nfs/dbraw/zinc/48/49/15/1386484915.db2.gz QBYAWXYBRDQSDL-ILXRZTDVSA-N 1 2 348.491 3.363 20 30 EGEDLO C=CC[C@H]([NH2+][C@@H](C)Cc1ccc(Br)cc1)C(=O)OCC ZINC001320767881 1386712454 /nfs/dbraw/zinc/71/24/54/1386712454.db2.gz ONHYOUCHXAITIU-WFASDCNBSA-N 1 2 340.261 3.478 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2ccc(C)cc2Cl)C1 ZINC001330020177 1389286825 /nfs/dbraw/zinc/28/68/25/1389286825.db2.gz HCLQDMKVWSZENG-CYBMUJFWSA-N 1 2 341.282 3.380 20 30 EGEDLO C=CC[N@@H+](C)CC(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC001338420942 1389680492 /nfs/dbraw/zinc/68/04/92/1389680492.db2.gz HMRNJVLNZUEALT-UHFFFAOYSA-N 1 2 326.425 3.348 20 30 EGEDLO C=CC[N@H+](C)CC(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC001338420942 1389680499 /nfs/dbraw/zinc/68/04/99/1389680499.db2.gz HMRNJVLNZUEALT-UHFFFAOYSA-N 1 2 326.425 3.348 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1C[C@@H](CC)O[C@@H](CC)C1 ZINC001341901976 1390547046 /nfs/dbraw/zinc/54/70/46/1390547046.db2.gz GQFMZGFHXVMZHN-BBWFWOEESA-N 1 2 347.507 3.015 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1C[C@@H](CC)O[C@@H](CC)C1 ZINC001341901976 1390547050 /nfs/dbraw/zinc/54/70/50/1390547050.db2.gz GQFMZGFHXVMZHN-BBWFWOEESA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCc2sccc2C1 ZINC001342099086 1390571777 /nfs/dbraw/zinc/57/17/77/1390571777.db2.gz DCWFAXKTVURMEL-UHFFFAOYSA-N 1 2 343.500 3.074 20 30 EGEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CC[C@H](C2CC2)C1 ZINC001342343087 1390603211 /nfs/dbraw/zinc/60/32/11/1390603211.db2.gz XLXRQZVJIRCAGO-KRWDZBQOSA-N 1 2 329.492 3.076 20 30 EGEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(CC)CCCC ZINC001343007525 1390683166 /nfs/dbraw/zinc/68/31/66/1390683166.db2.gz PQLPBRVQTOEYMT-KRWDZBQOSA-N 1 2 349.523 3.262 20 30 EGEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(CC)CCCC ZINC001343007525 1390683169 /nfs/dbraw/zinc/68/31/69/1390683169.db2.gz PQLPBRVQTOEYMT-KRWDZBQOSA-N 1 2 349.523 3.262 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)Cc1cccs1 ZINC001346176979 1390913360 /nfs/dbraw/zinc/91/33/60/1390913360.db2.gz JEIADHKCTUYKHE-HNNXBMFYSA-N 1 2 331.489 3.319 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)Cc1cccs1 ZINC001346176979 1390913361 /nfs/dbraw/zinc/91/33/61/1390913361.db2.gz JEIADHKCTUYKHE-HNNXBMFYSA-N 1 2 331.489 3.319 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N(CC(F)F)C1CCC1 ZINC001346187913 1390913968 /nfs/dbraw/zinc/91/39/68/1390913968.db2.gz LEXMMUFHUOJYHD-CQSZACIVSA-N 1 2 339.434 3.245 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N(CC(F)F)C1CCC1 ZINC001346187913 1390913969 /nfs/dbraw/zinc/91/39/69/1390913969.db2.gz LEXMMUFHUOJYHD-CQSZACIVSA-N 1 2 339.434 3.245 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC(F)(F)C[C@@H]1C ZINC001346187783 1390914019 /nfs/dbraw/zinc/91/40/19/1390914019.db2.gz HMEXSOSXNMUABI-KBPBESRZSA-N 1 2 339.434 3.245 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC(F)(F)C[C@@H]1C ZINC001346187783 1390914021 /nfs/dbraw/zinc/91/40/21/1390914021.db2.gz HMEXSOSXNMUABI-KBPBESRZSA-N 1 2 339.434 3.245 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1ccccc1 ZINC001351615588 1391657745 /nfs/dbraw/zinc/65/77/45/1391657745.db2.gz KMRDDWJDUXGAAY-QGZVFWFLSA-N 1 2 325.460 3.257 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)Cc1ccccc1 ZINC001351615588 1391657746 /nfs/dbraw/zinc/65/77/46/1391657746.db2.gz KMRDDWJDUXGAAY-QGZVFWFLSA-N 1 2 325.460 3.257 20 30 EGEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(CCCCC)C(C)C ZINC001352094437 1391758263 /nfs/dbraw/zinc/75/82/63/1391758263.db2.gz YCGMSYOEYXYFGM-UHFFFAOYSA-N 1 2 330.480 3.193 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCc2cccc(N(C)C)c2)C1 ZINC001479909328 1392476631 /nfs/dbraw/zinc/47/66/31/1392476631.db2.gz ZPGSILTXPZFCOL-KRWDZBQOSA-N 1 2 349.906 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCc2cccc(N(C)C)c2)C1 ZINC001479909328 1392476633 /nfs/dbraw/zinc/47/66/33/1392476633.db2.gz ZPGSILTXPZFCOL-KRWDZBQOSA-N 1 2 349.906 3.018 20 30 EGEDLO CCc1ccc(CCC(=O)NCC[N@H+](C)Cc2ccccc2C#N)cc1 ZINC001480946231 1393040361 /nfs/dbraw/zinc/04/03/61/1393040361.db2.gz PTYNOIRXSZKSDL-UHFFFAOYSA-N 1 2 349.478 3.301 20 30 EGEDLO CCc1ccc(CCC(=O)NCC[N@@H+](C)Cc2ccccc2C#N)cc1 ZINC001480946231 1393040368 /nfs/dbraw/zinc/04/03/68/1393040368.db2.gz PTYNOIRXSZKSDL-UHFFFAOYSA-N 1 2 349.478 3.301 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc2nc(C)ccc2o1)C1CC1 ZINC001481193918 1393147271 /nfs/dbraw/zinc/14/72/71/1393147271.db2.gz NOQDKLHKROMKGH-UHFFFAOYSA-N 1 2 333.819 3.083 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc2nc(C)ccc2o1)C1CC1 ZINC001481193918 1393147272 /nfs/dbraw/zinc/14/72/72/1393147272.db2.gz NOQDKLHKROMKGH-UHFFFAOYSA-N 1 2 333.819 3.083 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC001481705652 1394463791 /nfs/dbraw/zinc/46/37/91/1394463791.db2.gz SRUATYYNOLLJTH-OAHLLOKOSA-N 1 2 336.838 3.363 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC001481705652 1394463792 /nfs/dbraw/zinc/46/37/92/1394463792.db2.gz SRUATYYNOLLJTH-OAHLLOKOSA-N 1 2 336.838 3.363 20 30 EGEDLO CC[C@H](C)CCC(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001494606778 1396486036 /nfs/dbraw/zinc/48/60/36/1396486036.db2.gz LHHUIJLVMNFVKW-AWEZNQCLSA-N 1 2 331.435 3.072 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CC[N@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC001690101444 1404299698 /nfs/dbraw/zinc/29/96/98/1404299698.db2.gz ABAMHWDQTHUKFL-OAHLLOKOSA-N 1 2 345.468 3.450 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC001690101444 1404299702 /nfs/dbraw/zinc/29/97/02/1404299702.db2.gz ABAMHWDQTHUKFL-OAHLLOKOSA-N 1 2 345.468 3.450 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1ccc2ccccc21 ZINC001690459120 1404590122 /nfs/dbraw/zinc/59/01/22/1404590122.db2.gz LOJIWPTVAIVTLC-QGZVFWFLSA-N 1 2 345.874 3.365 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1ccc2ccccc21 ZINC001690459120 1404590124 /nfs/dbraw/zinc/59/01/24/1404590124.db2.gz LOJIWPTVAIVTLC-QGZVFWFLSA-N 1 2 345.874 3.365 20 30 EGEDLO C[N@H+](CCNC(=O)C12CCC(CC1)CC2)Cc1ccccc1C#N ZINC001690998716 1404914798 /nfs/dbraw/zinc/91/47/98/1404914798.db2.gz QXTGXYVNQKSKMA-UHFFFAOYSA-N 1 2 325.456 3.077 20 30 EGEDLO C[N@@H+](CCNC(=O)C12CCC(CC1)CC2)Cc1ccccc1C#N ZINC001690998716 1404914802 /nfs/dbraw/zinc/91/48/02/1404914802.db2.gz QXTGXYVNQKSKMA-UHFFFAOYSA-N 1 2 325.456 3.077 20 30 EGEDLO CCCC1(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccccc2C#N)CC1 ZINC001691058011 1404978973 /nfs/dbraw/zinc/97/89/73/1404978973.db2.gz GSEIQJJITDYTGS-GOSISDBHSA-N 1 2 325.456 3.171 20 30 EGEDLO CCCC1(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccccc2C#N)CC1 ZINC001691058011 1404978979 /nfs/dbraw/zinc/97/89/79/1404978979.db2.gz GSEIQJJITDYTGS-GOSISDBHSA-N 1 2 325.456 3.171 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1CNC(=O)C1(F)CCCCC1 ZINC001691102058 1405040436 /nfs/dbraw/zinc/04/04/36/1405040436.db2.gz AQWJZHXZECOONL-GOSISDBHSA-N 1 2 343.446 3.311 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1CNC(=O)C1(F)CCCCC1 ZINC001691102058 1405040439 /nfs/dbraw/zinc/04/04/39/1405040439.db2.gz AQWJZHXZECOONL-GOSISDBHSA-N 1 2 343.446 3.311 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)Cc1ccc(Cl)s1)C1CC1 ZINC001691227833 1405167473 /nfs/dbraw/zinc/16/74/73/1405167473.db2.gz JBFJGIHDVHPOAL-UHFFFAOYSA-N 1 2 333.284 3.277 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cc1ccc(Cl)s1)C1CC1 ZINC001691227833 1405167475 /nfs/dbraw/zinc/16/74/75/1405167475.db2.gz JBFJGIHDVHPOAL-UHFFFAOYSA-N 1 2 333.284 3.277 20 30 EGEDLO Cc1ccccc1CCC(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001732134811 1428381050 /nfs/dbraw/zinc/38/10/50/1428381050.db2.gz UZFKLNGXWWYANL-UHFFFAOYSA-N 1 2 347.462 3.048 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)CCc2nc(C)cs2)C1 ZINC001732188257 1428439192 /nfs/dbraw/zinc/43/91/92/1428439192.db2.gz XRULMKKKMSZRFH-AWEZNQCLSA-N 1 2 341.908 3.059 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)CCc2nc(C)cs2)C1 ZINC001732188257 1428439194 /nfs/dbraw/zinc/43/91/94/1428439194.db2.gz XRULMKKKMSZRFH-AWEZNQCLSA-N 1 2 341.908 3.059 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)CC2CCCCC2)s1 ZINC001699620142 1412984287 /nfs/dbraw/zinc/98/42/87/1412984287.db2.gz SEOMKSCMAAHQJD-HNNXBMFYSA-N 1 2 331.485 3.281 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)CC2CCCCC2)s1 ZINC001699620142 1412984290 /nfs/dbraw/zinc/98/42/90/1412984290.db2.gz SEOMKSCMAAHQJD-HNNXBMFYSA-N 1 2 331.485 3.281 20 30 EGEDLO Cc1ccc(C(=O)N(C)CC[N@H+](C)Cc2cc(C#N)ccc2F)cc1 ZINC001732597340 1428837225 /nfs/dbraw/zinc/83/72/25/1428837225.db2.gz FNYZQEMGAUURNP-UHFFFAOYSA-N 1 2 339.414 3.210 20 30 EGEDLO Cc1ccc(C(=O)N(C)CC[N@@H+](C)Cc2cc(C#N)ccc2F)cc1 ZINC001732597340 1428837228 /nfs/dbraw/zinc/83/72/28/1428837228.db2.gz FNYZQEMGAUURNP-UHFFFAOYSA-N 1 2 339.414 3.210 20 30 EGEDLO CCCC[C@](C)(F)C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001713460008 1418114787 /nfs/dbraw/zinc/11/47/87/1418114787.db2.gz SWOCYLFUZJAIOE-SFHVURJKSA-N 1 2 337.414 3.164 20 30 EGEDLO CCCC[C@](C)(F)C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001713460008 1418114791 /nfs/dbraw/zinc/11/47/91/1418114791.db2.gz SWOCYLFUZJAIOE-SFHVURJKSA-N 1 2 337.414 3.164 20 30 EGEDLO C[N@H+](CCNC(=O)[C@@H]1CCC(C)(C)C1)Cc1ccc(C#N)cc1F ZINC001713465823 1418127705 /nfs/dbraw/zinc/12/77/05/1418127705.db2.gz HZYHZTCKUVAEOU-OAHLLOKOSA-N 1 2 331.435 3.072 20 30 EGEDLO C[N@@H+](CCNC(=O)[C@@H]1CCC(C)(C)C1)Cc1ccc(C#N)cc1F ZINC001713465823 1418127708 /nfs/dbraw/zinc/12/77/08/1418127708.db2.gz HZYHZTCKUVAEOU-OAHLLOKOSA-N 1 2 331.435 3.072 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@H]1CC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC001713822488 1418623972 /nfs/dbraw/zinc/62/39/72/1418623972.db2.gz YBACUWAGUFNRIT-AWEZNQCLSA-N 1 2 336.838 3.219 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC001713822488 1418623974 /nfs/dbraw/zinc/62/39/74/1418623974.db2.gz YBACUWAGUFNRIT-AWEZNQCLSA-N 1 2 336.838 3.219 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)COc1cccc(Cl)c1 ZINC001714616852 1419379719 /nfs/dbraw/zinc/37/97/19/1419379719.db2.gz ABSZPTBWNNLTKZ-AWEZNQCLSA-N 1 2 343.254 3.052 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)COc1cccc(Cl)c1 ZINC001714616852 1419379723 /nfs/dbraw/zinc/37/97/23/1419379723.db2.gz ABSZPTBWNNLTKZ-AWEZNQCLSA-N 1 2 343.254 3.052 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cc(CCC)on2)C1 ZINC001714860800 1419582431 /nfs/dbraw/zinc/58/24/31/1419582431.db2.gz NPXGXNYOEYVUGX-AWEZNQCLSA-N 1 2 339.867 3.306 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cc(CCC)on2)C1 ZINC001714860800 1419582433 /nfs/dbraw/zinc/58/24/33/1419582433.db2.gz NPXGXNYOEYVUGX-AWEZNQCLSA-N 1 2 339.867 3.306 20 30 EGEDLO C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001715003638 1419734031 /nfs/dbraw/zinc/73/40/31/1419734031.db2.gz SSGUUMNWDRGZKH-MAUKXSAKSA-N 1 2 349.434 3.007 20 30 EGEDLO C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001715003638 1419734033 /nfs/dbraw/zinc/73/40/33/1419734033.db2.gz SSGUUMNWDRGZKH-MAUKXSAKSA-N 1 2 349.434 3.007 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)CCC2(C)CC2)C1 ZINC001715022081 1419754210 /nfs/dbraw/zinc/75/42/10/1419754210.db2.gz CEKPOCFMQMRJDT-ZDUSSCGKSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)CCC2(C)CC2)C1 ZINC001715022081 1419754214 /nfs/dbraw/zinc/75/42/14/1419754214.db2.gz CEKPOCFMQMRJDT-ZDUSSCGKSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)CCc2ccsc2)C1 ZINC001715042721 1419782562 /nfs/dbraw/zinc/78/25/62/1419782562.db2.gz YKIRVINURHTEJN-HNNXBMFYSA-N 1 2 326.893 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)CCc2ccsc2)C1 ZINC001715042721 1419782568 /nfs/dbraw/zinc/78/25/68/1419782568.db2.gz YKIRVINURHTEJN-HNNXBMFYSA-N 1 2 326.893 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc2ccccc2nc1C ZINC001715521303 1420207626 /nfs/dbraw/zinc/20/76/26/1420207626.db2.gz UAHJOLSICLFADV-UHFFFAOYSA-N 1 2 331.847 3.300 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc2ccccc2nc1C ZINC001715521303 1420207628 /nfs/dbraw/zinc/20/76/28/1420207628.db2.gz UAHJOLSICLFADV-UHFFFAOYSA-N 1 2 331.847 3.300 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1cccnc1C1CC1 ZINC001715886327 1420383238 /nfs/dbraw/zinc/38/32/38/1420383238.db2.gz ATHVDVYCANYLGB-UHFFFAOYSA-N 1 2 348.450 3.035 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1cccnc1C1CC1 ZINC001715886327 1420383240 /nfs/dbraw/zinc/38/32/40/1420383240.db2.gz ATHVDVYCANYLGB-UHFFFAOYSA-N 1 2 348.450 3.035 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCOc1c(C)cccc1C ZINC001716024194 1420479897 /nfs/dbraw/zinc/47/98/97/1420479897.db2.gz SFSXUTFPCQEEST-INIZCTEOSA-N 1 2 338.879 3.261 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCOc1c(C)cccc1C ZINC001716024194 1420479898 /nfs/dbraw/zinc/47/98/98/1420479898.db2.gz SFSXUTFPCQEEST-INIZCTEOSA-N 1 2 338.879 3.261 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1ccc(Cl)c(F)c1 ZINC001716495764 1420719912 /nfs/dbraw/zinc/71/99/12/1420719912.db2.gz XGKSUZOJAVRJTD-NSHDSACASA-N 1 2 333.234 3.211 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1ccc(Cl)c(F)c1 ZINC001716495764 1420719914 /nfs/dbraw/zinc/71/99/14/1420719914.db2.gz XGKSUZOJAVRJTD-NSHDSACASA-N 1 2 333.234 3.211 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@](C)(CNC(=O)c2ccco2)C1 ZINC001716892143 1421017758 /nfs/dbraw/zinc/01/77/58/1421017758.db2.gz WONPXMIWONGCHT-HNNXBMFYSA-N 1 2 341.249 3.020 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@](C)(CNC(=O)c2ccco2)C1 ZINC001716892143 1421017761 /nfs/dbraw/zinc/01/77/61/1421017761.db2.gz WONPXMIWONGCHT-HNNXBMFYSA-N 1 2 341.249 3.020 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)Cc1ccc2c(c1)CCC2 ZINC001731543871 1427558449 /nfs/dbraw/zinc/55/84/49/1427558449.db2.gz VENSJXUOZYEBNZ-IBGZPJMESA-N 1 2 346.902 3.441 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)Cc1ccc2c(c1)CCC2 ZINC001731543871 1427558455 /nfs/dbraw/zinc/55/84/55/1427558455.db2.gz VENSJXUOZYEBNZ-IBGZPJMESA-N 1 2 346.902 3.441 20 30 EGEDLO CCC(CC)[C@H](C)C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001731775217 1427891660 /nfs/dbraw/zinc/89/16/60/1427891660.db2.gz KJLHTEZTDPBTLG-AWEZNQCLSA-N 1 2 333.451 3.318 20 30 EGEDLO CCC(CC)[C@H](C)C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001731775217 1427891663 /nfs/dbraw/zinc/89/16/63/1427891663.db2.gz KJLHTEZTDPBTLG-AWEZNQCLSA-N 1 2 333.451 3.318 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](C)CCc1cccc(F)c1 ZINC001731795428 1427946766 /nfs/dbraw/zinc/94/67/66/1427946766.db2.gz GUSCVFKCDPTKQK-ZDUSSCGKSA-N 1 2 326.843 3.195 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](C)CCc1cccc(F)c1 ZINC001731795428 1427946753 /nfs/dbraw/zinc/94/67/53/1427946753.db2.gz GUSCVFKCDPTKQK-ZDUSSCGKSA-N 1 2 326.843 3.195 20 30 EGEDLO C[N@H+](CCNC(=O)[C@@H]1CCCCC1(C)C)Cc1ccccc1C#N ZINC001731797075 1427952765 /nfs/dbraw/zinc/95/27/65/1427952765.db2.gz FNTPUHVXGXEBLC-SFHVURJKSA-N 1 2 327.472 3.323 20 30 EGEDLO C[N@@H+](CCNC(=O)[C@@H]1CCCCC1(C)C)Cc1ccccc1C#N ZINC001731797075 1427952766 /nfs/dbraw/zinc/95/27/66/1427952766.db2.gz FNTPUHVXGXEBLC-SFHVURJKSA-N 1 2 327.472 3.323 20 30 EGEDLO CCC(CC)C(=O)NCC[N@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001731873026 1428131986 /nfs/dbraw/zinc/13/19/86/1428131986.db2.gz ZFPRIXJBNHFWCZ-UHFFFAOYSA-N 1 2 331.435 3.214 20 30 EGEDLO CCC(CC)C(=O)NCC[N@@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001731873026 1428131990 /nfs/dbraw/zinc/13/19/90/1428131990.db2.gz ZFPRIXJBNHFWCZ-UHFFFAOYSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1noc(C)n1 ZINC001752697472 1440201029 /nfs/dbraw/zinc/20/10/29/1440201029.db2.gz FKKLISYECLIHCE-OHRKKDJYSA-N 1 2 346.475 3.153 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1noc(C)n1 ZINC001752697472 1440201030 /nfs/dbraw/zinc/20/10/30/1440201030.db2.gz FKKLISYECLIHCE-OHRKKDJYSA-N 1 2 346.475 3.153 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[C@@H]1CCCCO1 ZINC001752822565 1440221434 /nfs/dbraw/zinc/22/14/34/1440221434.db2.gz KBKJLAQHJSKASN-HOTGVXAUSA-N 1 2 328.884 3.059 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)CC[C@@H]1CCCCO1 ZINC001752822565 1440221435 /nfs/dbraw/zinc/22/14/35/1440221435.db2.gz KBKJLAQHJSKASN-HOTGVXAUSA-N 1 2 328.884 3.059 20 30 EGEDLO C=C1CCC(C(=O)NCC[N@@H+](CC)Cc2ccn(C(C)C)n2)CC1 ZINC001753086739 1440296723 /nfs/dbraw/zinc/29/67/23/1440296723.db2.gz FRAUPPQBQNWYJK-UHFFFAOYSA-N 1 2 332.492 3.149 20 30 EGEDLO C=C1CCC(C(=O)NCC[N@H+](CC)Cc2ccn(C(C)C)n2)CC1 ZINC001753086739 1440296724 /nfs/dbraw/zinc/29/67/24/1440296724.db2.gz FRAUPPQBQNWYJK-UHFFFAOYSA-N 1 2 332.492 3.149 20 30 EGEDLO C=C[C@@H](C(=O)NCC[N@@H+](CC)[C@@H](C)c1ncc(C)o1)c1ccccc1 ZINC001753095209 1440302168 /nfs/dbraw/zinc/30/21/68/1440302168.db2.gz PTOJDPDZSRFEFK-FUHWJXTLSA-N 1 2 341.455 3.452 20 30 EGEDLO C=C[C@@H](C(=O)NCC[N@H+](CC)[C@@H](C)c1ncc(C)o1)c1ccccc1 ZINC001753095209 1440302169 /nfs/dbraw/zinc/30/21/69/1440302169.db2.gz PTOJDPDZSRFEFK-FUHWJXTLSA-N 1 2 341.455 3.452 20 30 EGEDLO C=CCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1csc(-c2ccco2)n1 ZINC001753097429 1440303085 /nfs/dbraw/zinc/30/30/85/1440303085.db2.gz OFRMPOFUUQAXRI-HNNXBMFYSA-N 1 2 345.468 3.450 20 30 EGEDLO C=CCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1csc(-c2ccco2)n1 ZINC001753097429 1440303086 /nfs/dbraw/zinc/30/30/86/1440303086.db2.gz OFRMPOFUUQAXRI-HNNXBMFYSA-N 1 2 345.468 3.450 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)Cc1ccc2c(c1)CCCC2)C1CC1 ZINC001753162595 1440334989 /nfs/dbraw/zinc/33/49/89/1440334989.db2.gz DWDQDWCJZCOUJZ-UHFFFAOYSA-N 1 2 346.902 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cc1ccc2c(c1)CCCC2)C1CC1 ZINC001753162595 1440334990 /nfs/dbraw/zinc/33/49/90/1440334990.db2.gz DWDQDWCJZCOUJZ-UHFFFAOYSA-N 1 2 346.902 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H](C)c1ccc(F)cc1F)C1CC1 ZINC001753163399 1440335423 /nfs/dbraw/zinc/33/54/23/1440335423.db2.gz YMTRTUSRDGQAEG-LBPRGKRZSA-N 1 2 342.817 3.401 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H](C)c1ccc(F)cc1F)C1CC1 ZINC001753163399 1440335424 /nfs/dbraw/zinc/33/54/24/1440335424.db2.gz YMTRTUSRDGQAEG-LBPRGKRZSA-N 1 2 342.817 3.401 20 30 EGEDLO C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C2CC2)no1 ZINC001753310421 1440356278 /nfs/dbraw/zinc/35/62/78/1440356278.db2.gz PPZFWXYYTQREHP-IYBDPMFKSA-N 1 2 343.471 3.330 20 30 EGEDLO C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C2CC2)no1 ZINC001753310421 1440356279 /nfs/dbraw/zinc/35/62/79/1440356279.db2.gz PPZFWXYYTQREHP-IYBDPMFKSA-N 1 2 343.471 3.330 20 30 EGEDLO CCCN(C(=O)C#CC(C)(C)C)[C@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001753316190 1440359851 /nfs/dbraw/zinc/35/98/51/1440359851.db2.gz NEQCXIKJNXWEOA-INIZCTEOSA-N 1 2 347.528 3.314 20 30 EGEDLO CCCN(C(=O)C#CC(C)(C)C)[C@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001753316190 1440359852 /nfs/dbraw/zinc/35/98/52/1440359852.db2.gz NEQCXIKJNXWEOA-INIZCTEOSA-N 1 2 347.528 3.314 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cccn3nccc23)C1 ZINC001753316983 1440360191 /nfs/dbraw/zinc/36/01/91/1440360191.db2.gz FKBNWUCNZULHEX-OAHLLOKOSA-N 1 2 346.862 3.013 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cccn3nccc23)C1 ZINC001753316983 1440360192 /nfs/dbraw/zinc/36/01/92/1440360192.db2.gz FKBNWUCNZULHEX-OAHLLOKOSA-N 1 2 346.862 3.013 20 30 EGEDLO C=CCC[C@@H](C)[NH+]1CC(NC(=O)c2sc(Cl)nc2Cl)C1 ZINC001753400428 1440391114 /nfs/dbraw/zinc/39/11/14/1440391114.db2.gz XQKQDDPOKFMXOB-MRVPVSSYSA-N 1 2 334.272 3.219 20 30 EGEDLO C=CCC1(C(=O)NCC2C[NH+](Cc3ccc(F)c(F)c3)C2)CCC1 ZINC001753408904 1440392747 /nfs/dbraw/zinc/39/27/47/1440392747.db2.gz DGOKXFGIAZQVOC-UHFFFAOYSA-N 1 2 334.410 3.259 20 30 EGEDLO CCC(CC)CC(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001753412662 1440393551 /nfs/dbraw/zinc/39/35/51/1440393551.db2.gz KPKHGMKOGWVZGK-UHFFFAOYSA-N 1 2 330.447 3.052 20 30 EGEDLO CC(C)C#CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC001753437077 1440400156 /nfs/dbraw/zinc/40/01/56/1440400156.db2.gz GVPYNZQTNFJGGK-OAHLLOKOSA-N 1 2 336.838 3.171 20 30 EGEDLO CC(C)C#CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC001753437077 1440400157 /nfs/dbraw/zinc/40/01/57/1440400157.db2.gz GVPYNZQTNFJGGK-OAHLLOKOSA-N 1 2 336.838 3.171 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H](CC)OC2CCCC2)C1 ZINC001753460208 1440410233 /nfs/dbraw/zinc/41/02/33/1440410233.db2.gz ZAEBVYMEHVDYIQ-RDJZCZTQSA-N 1 2 342.911 3.400 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](CC)OC2CCCC2)C1 ZINC001753460208 1440410234 /nfs/dbraw/zinc/41/02/34/1440410234.db2.gz ZAEBVYMEHVDYIQ-RDJZCZTQSA-N 1 2 342.911 3.400 20 30 EGEDLO CCN(C(=O)C1(F)CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001753460688 1440410550 /nfs/dbraw/zinc/41/05/50/1440410550.db2.gz DUZOZTDQXPWKJD-GOSISDBHSA-N 1 2 343.446 3.263 20 30 EGEDLO CCN(C(=O)C1(F)CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001753460688 1440410551 /nfs/dbraw/zinc/41/05/51/1440410551.db2.gz DUZOZTDQXPWKJD-GOSISDBHSA-N 1 2 343.446 3.263 20 30 EGEDLO C=C(C)CCC(=O)N[C@]1(C[NH2+]Cc2noc(CC)n2)CCCC[C@H]1C ZINC001753533922 1440431876 /nfs/dbraw/zinc/43/18/76/1440431876.db2.gz NEKFVPULCPQNFV-BEFAXECRSA-N 1 2 348.491 3.143 20 30 EGEDLO C=CCC1(C(=O)N[C@@H](C)C[N@@H+](C)Cc2csc(CC)n2)CCC1 ZINC001754322565 1440578834 /nfs/dbraw/zinc/57/88/34/1440578834.db2.gz GETWIDXGBHVZML-AWEZNQCLSA-N 1 2 335.517 3.388 20 30 EGEDLO C=CCC1(C(=O)N[C@@H](C)C[N@H+](C)Cc2csc(CC)n2)CCC1 ZINC001754322565 1440578835 /nfs/dbraw/zinc/57/88/35/1440578835.db2.gz GETWIDXGBHVZML-AWEZNQCLSA-N 1 2 335.517 3.388 20 30 EGEDLO CC1(CC(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)c(F)c2)CCCC1 ZINC001754483816 1440608148 /nfs/dbraw/zinc/60/81/48/1440608148.db2.gz OZTNGJOJTXCIII-QGZVFWFLSA-N 1 2 343.446 3.358 20 30 EGEDLO CC1(CC(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)c(F)c2)CCCC1 ZINC001754483816 1440608149 /nfs/dbraw/zinc/60/81/49/1440608149.db2.gz OZTNGJOJTXCIII-QGZVFWFLSA-N 1 2 343.446 3.358 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1COCC[N@@H+]1CC/C=C/c1ccccc1 ZINC001754967152 1440718386 /nfs/dbraw/zinc/71/83/86/1440718386.db2.gz BMUKFEUNPAYOMT-CLOLKSBNSA-N 1 2 342.483 3.263 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1COCC[N@H+]1CC/C=C/c1ccccc1 ZINC001754967152 1440718387 /nfs/dbraw/zinc/71/83/87/1440718387.db2.gz BMUKFEUNPAYOMT-CLOLKSBNSA-N 1 2 342.483 3.263 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1COCC[N@@H+]1Cc1cc(C)cc(C)c1 ZINC001754969672 1440718567 /nfs/dbraw/zinc/71/85/67/1440718567.db2.gz FAYWJNDZBNNOLS-ICSRJNTNSA-N 1 2 344.499 3.223 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1COCC[N@H+]1Cc1cc(C)cc(C)c1 ZINC001754969672 1440718568 /nfs/dbraw/zinc/71/85/68/1440718568.db2.gz FAYWJNDZBNNOLS-ICSRJNTNSA-N 1 2 344.499 3.223 20 30 EGEDLO C[C@H](C#N)C(=O)N(C)CCC[N@H+](C)Cc1c(Cl)cccc1Cl ZINC001755035578 1440734166 /nfs/dbraw/zinc/73/41/66/1440734166.db2.gz XDHBKWBHTORHRP-GFCCVEGCSA-N 1 2 342.270 3.433 20 30 EGEDLO C[C@H](C#N)C(=O)N(C)CCC[N@@H+](C)Cc1c(Cl)cccc1Cl ZINC001755035578 1440734167 /nfs/dbraw/zinc/73/41/67/1440734167.db2.gz XDHBKWBHTORHRP-GFCCVEGCSA-N 1 2 342.270 3.433 20 30 EGEDLO C=CCC1(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2nnc(C3CC3)o2)CCCC1 ZINC001755271237 1440797724 /nfs/dbraw/zinc/79/77/24/1440797724.db2.gz ZIQCQIZCOLBJFW-UONOGXRCSA-N 1 2 346.475 3.066 20 30 EGEDLO C=CCCC(=O)NC[C@@H](C)[N@H+](C)Cc1coc(-c2ccc(F)cc2)n1 ZINC001755295426 1440805883 /nfs/dbraw/zinc/80/58/83/1440805883.db2.gz XDUOKLBJYKYTOE-CQSZACIVSA-N 1 2 345.418 3.383 20 30 EGEDLO C=CCCC(=O)NC[C@@H](C)[N@@H+](C)Cc1coc(-c2ccc(F)cc2)n1 ZINC001755295426 1440805884 /nfs/dbraw/zinc/80/58/84/1440805884.db2.gz XDUOKLBJYKYTOE-CQSZACIVSA-N 1 2 345.418 3.383 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)OCc1ccccc1C ZINC001755309449 1440812607 /nfs/dbraw/zinc/81/26/07/1440812607.db2.gz AFNZZVSJIMGWMU-HZPDHXFCSA-N 1 2 338.879 3.089 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)OCc1ccccc1C ZINC001755309449 1440812608 /nfs/dbraw/zinc/81/26/08/1440812608.db2.gz AFNZZVSJIMGWMU-HZPDHXFCSA-N 1 2 338.879 3.089 20 30 EGEDLO C=CCCC(=O)N[C@H](C)C1C[NH+](Cc2nc(C(C)(C)C)cs2)C1 ZINC001755376022 1440838293 /nfs/dbraw/zinc/83/82/93/1440838293.db2.gz VJSIHPRNJQTZGM-CYBMUJFWSA-N 1 2 335.517 3.343 20 30 EGEDLO CC(C)N(CC[N@H+](C)[C@H](C)c1ncc(C(C)(C)C)o1)C(=O)[C@H](C)C#N ZINC001755810630 1440920192 /nfs/dbraw/zinc/92/01/92/1440920192.db2.gz GUUBCROCHHEQJY-HUUCEWRRSA-N 1 2 348.491 3.362 20 30 EGEDLO CC(C)N(CC[N@@H+](C)[C@H](C)c1ncc(C(C)(C)C)o1)C(=O)[C@H](C)C#N ZINC001755810630 1440920193 /nfs/dbraw/zinc/92/01/93/1440920193.db2.gz GUUBCROCHHEQJY-HUUCEWRRSA-N 1 2 348.491 3.362 20 30 EGEDLO C=C(C)CCC(=O)N[C@H](C[NH2+]Cc1nnsc1Cl)C(C)(C)C ZINC001755826005 1440927157 /nfs/dbraw/zinc/92/71/57/1440927157.db2.gz YUIYSLUWVIHZTD-GFCCVEGCSA-N 1 2 344.912 3.168 20 30 EGEDLO C#CCCCCC(=O)NCC1=CC[N@H+](Cc2ccc(Cl)nc2)CC1 ZINC001755883220 1440939877 /nfs/dbraw/zinc/93/98/77/1440939877.db2.gz FEABTUHAGALRSK-UHFFFAOYSA-N 1 2 345.874 3.177 20 30 EGEDLO C#CCCCCC(=O)NCC1=CC[N@@H+](Cc2ccc(Cl)nc2)CC1 ZINC001755883220 1440939878 /nfs/dbraw/zinc/93/98/78/1440939878.db2.gz FEABTUHAGALRSK-UHFFFAOYSA-N 1 2 345.874 3.177 20 30 EGEDLO C=CCC1(C(=O)NCC2=CC[N@H+](Cc3ccon3)CC2)CCCCC1 ZINC001755900133 1440943744 /nfs/dbraw/zinc/94/37/44/1440943744.db2.gz UZJVHPZCUXAQRX-UHFFFAOYSA-N 1 2 343.471 3.450 20 30 EGEDLO C=CCC1(C(=O)NCC2=CC[N@@H+](Cc3ccon3)CC2)CCCCC1 ZINC001755900133 1440943745 /nfs/dbraw/zinc/94/37/45/1440943745.db2.gz UZJVHPZCUXAQRX-UHFFFAOYSA-N 1 2 343.471 3.450 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)c1ccc(Cl)cc1 ZINC001573281258 946674707 /nfs/dbraw/zinc/67/47/07/946674707.db2.gz WTXYZVNUHLTZAA-MRXNPFEDSA-N 1 2 341.777 3.123 20 30 EGEDLO N#Cc1cc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)ccc1F ZINC000348495317 283088650 /nfs/dbraw/zinc/08/86/50/283088650.db2.gz OVYQWEFIBHDBOY-DAXSKMNVSA-N 1 2 349.409 3.169 20 30 EGEDLO N#Cc1cccc(OCC[N@@H+]2CCSC[C@@H]2c2nccs2)c1 ZINC000187046649 236103322 /nfs/dbraw/zinc/10/33/22/236103322.db2.gz AEOWXAIFLHYDKX-OAHLLOKOSA-N 1 2 331.466 3.184 20 30 EGEDLO N#Cc1cccc(OCC[N@H+]2CCSC[C@@H]2c2nccs2)c1 ZINC000187046649 236103323 /nfs/dbraw/zinc/10/33/23/236103323.db2.gz AEOWXAIFLHYDKX-OAHLLOKOSA-N 1 2 331.466 3.184 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Oc3ccccc3)CC2)s1 ZINC000130170054 223129632 /nfs/dbraw/zinc/12/96/32/223129632.db2.gz GLWCAHWCXSSWET-UHFFFAOYSA-N 1 2 341.436 3.326 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Oc3ccccc3)CC2)s1 ZINC000130170054 223129634 /nfs/dbraw/zinc/12/96/34/223129634.db2.gz GLWCAHWCXSSWET-UHFFFAOYSA-N 1 2 341.436 3.326 20 30 EGEDLO C[C@H]1CCN(C(=O)Nc2ccc(F)cc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000131461508 223235016 /nfs/dbraw/zinc/23/50/16/223235016.db2.gz KPYUZHMWGSLNGH-BLLLJJGKSA-N 1 2 327.363 3.009 20 30 EGEDLO Cc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)Nc1cccc(C#N)c1)CCC2 ZINC000111312565 220136734 /nfs/dbraw/zinc/13/67/34/220136734.db2.gz WQCGTNRWCATGIU-INIZCTEOSA-N 1 2 340.452 3.271 20 30 EGEDLO Cc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)Nc1cccc(C#N)c1)CCC2 ZINC000111312565 220136736 /nfs/dbraw/zinc/13/67/36/220136736.db2.gz WQCGTNRWCATGIU-INIZCTEOSA-N 1 2 340.452 3.271 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCN(Cc2csc([C@@H](C)OC)n2)CC1 ZINC000267827254 251387258 /nfs/dbraw/zinc/38/72/58/251387258.db2.gz ZIQMLLONIIRRAX-CYBMUJFWSA-N 1 2 329.897 3.111 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCN(Cc2csc([C@@H](C)OC)n2)CC1 ZINC000267827254 251387261 /nfs/dbraw/zinc/38/72/61/251387261.db2.gz ZIQMLLONIIRRAX-CYBMUJFWSA-N 1 2 329.897 3.111 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)Nc1ccc(F)cc1C#N ZINC000097472629 219027528 /nfs/dbraw/zinc/02/75/28/219027528.db2.gz KVPDJXXWEDEKAT-UHFFFAOYSA-N 1 2 337.358 3.177 20 30 EGEDLO COc1cccc([C@H](C)N2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000171705828 144009764 /nfs/dbraw/zinc/00/97/64/144009764.db2.gz AGKQZXAJBBYQKK-KRWDZBQOSA-N 1 2 335.451 3.446 20 30 EGEDLO COc1ccccc1[C@@H](Nc1nccc(C)c1C#N)c1[nH+]ccn1C ZINC000373279239 144500149 /nfs/dbraw/zinc/50/01/49/144500149.db2.gz DRXYCYROWPEQIX-QGZVFWFLSA-N 1 2 333.395 3.205 20 30 EGEDLO N#Cc1c(NCCc2cn3ccccc3[nH+]2)nc2cc(Cl)ccn12 ZINC000341375414 155254700 /nfs/dbraw/zinc/25/47/00/155254700.db2.gz ZORBVPHQVBKRIM-UHFFFAOYSA-N 1 2 336.786 3.162 20 30 EGEDLO N#Cc1cc(Br)ccc1C[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000346983581 156230415 /nfs/dbraw/zinc/23/04/15/156230415.db2.gz ZRRPJIVLYHTMBG-INIZCTEOSA-N 1 2 349.203 3.283 20 30 EGEDLO COc1cc(N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)ccc1F ZINC000338638598 163301190 /nfs/dbraw/zinc/30/11/90/163301190.db2.gz WHFIHTQVIJQUIM-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO CN(C)c1[nH]c2ccc(NC(=O)c3c(F)cc(C#N)cc3F)cc2[nH+]1 ZINC000338928553 163390918 /nfs/dbraw/zinc/39/09/18/163390918.db2.gz WBHSAYCUEDILLK-UHFFFAOYSA-N 1 2 341.321 3.031 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc4c3CCC4)CC2)cc1 ZINC000346050901 164326659 /nfs/dbraw/zinc/32/66/59/164326659.db2.gz RMKGQBFKUMMSAG-UHFFFAOYSA-N 1 2 345.446 3.005 20 30 EGEDLO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+]Cc3ccc(C#N)cc3F)n2)c1 ZINC000362954863 167868043 /nfs/dbraw/zinc/86/80/43/167868043.db2.gz NKPLSZGPHQRUIV-GFCCVEGCSA-N 1 2 336.374 3.037 20 30 EGEDLO Cc1ncsc1C[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000171750562 227265483 /nfs/dbraw/zinc/26/54/83/227265483.db2.gz OTRSSEZHTIEDEZ-UHFFFAOYSA-N 1 2 334.832 3.047 20 30 EGEDLO Cc1ncsc1C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000171750562 227265488 /nfs/dbraw/zinc/26/54/88/227265488.db2.gz OTRSSEZHTIEDEZ-UHFFFAOYSA-N 1 2 334.832 3.047 20 30 EGEDLO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCO[C@H](CF)C2)c1 ZINC000414467773 270047090 /nfs/dbraw/zinc/04/70/90/270047090.db2.gz DRERXRMOJQRDMM-HXUWFJFHSA-N 1 2 340.398 3.308 20 30 EGEDLO N#Cc1ccccc1COc1cccc(C[N@H+]2CCO[C@H](CF)C2)c1 ZINC000414467773 270047092 /nfs/dbraw/zinc/04/70/92/270047092.db2.gz DRERXRMOJQRDMM-HXUWFJFHSA-N 1 2 340.398 3.308 20 30 EGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Nc1ccc(C#N)cc1Cl)CCC2 ZINC000533568045 270060818 /nfs/dbraw/zinc/06/08/18/270060818.db2.gz CPTPXYPFKVOYMD-CYBMUJFWSA-N 1 2 343.818 3.416 20 30 EGEDLO Cc1ccc(C#N)cc1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000534528567 270061011 /nfs/dbraw/zinc/06/10/11/270061011.db2.gz NIISWJGXZJLOPK-UHFFFAOYSA-N 1 2 340.452 3.278 20 30 EGEDLO C[C@@H]1CCN(c2nc3cc(Cl)ccn3c2C#N)C[C@H]1n1cc[nH+]c1 ZINC000287844608 267024504 /nfs/dbraw/zinc/02/45/04/267024504.db2.gz MAJZQZISKZOVCR-IUODEOHRSA-N 1 2 340.818 3.143 20 30 EGEDLO C[C@@H]1CN(c2ccc(Nc3snc(Cl)c3C#N)c[nH+]2)C[C@H](C)O1 ZINC000271332036 267063171 /nfs/dbraw/zinc/06/31/71/267063171.db2.gz QIIWLTORKSVZAU-AOOOYVTPSA-N 1 2 349.847 3.420 20 30 EGEDLO C[C@@H]1CN(c2ccc(NCc3ccc(C#N)s3)c[nH+]2)C[C@@H](C)O1 ZINC000269404773 267063429 /nfs/dbraw/zinc/06/34/29/267063429.db2.gz HKPHUHUSFGXUSS-CHWSQXEVSA-N 1 2 328.441 3.240 20 30 EGEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000371463102 267123154 /nfs/dbraw/zinc/12/31/54/267123154.db2.gz HEKZZDWXROSQCI-IERDGZPVSA-N 1 2 347.418 3.423 20 30 EGEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000371463102 267123155 /nfs/dbraw/zinc/12/31/55/267123155.db2.gz HEKZZDWXROSQCI-IERDGZPVSA-N 1 2 347.418 3.423 20 30 EGEDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(F)cc2C#N)Cc2ccccc21 ZINC000441129226 267134417 /nfs/dbraw/zinc/13/44/17/267134417.db2.gz UIQMUFSJCKBEKO-IBGZPJMESA-N 1 2 338.382 3.360 20 30 EGEDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(F)cc2C#N)Cc2ccccc21 ZINC000441129226 267134421 /nfs/dbraw/zinc/13/44/21/267134421.db2.gz UIQMUFSJCKBEKO-IBGZPJMESA-N 1 2 338.382 3.360 20 30 EGEDLO CCOc1ccccc1N1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000488044350 267175160 /nfs/dbraw/zinc/17/51/60/267175160.db2.gz SARGFQMSPRGRBX-UHFFFAOYSA-N 1 2 339.414 3.418 20 30 EGEDLO CC[C@H]1C[N@H+](Cc2cn3ccccc3c2C#N)[C@@H](CC)CN1C(C)=O ZINC000472349915 267230714 /nfs/dbraw/zinc/23/07/14/267230714.db2.gz OTCIHVVOTJXRTN-ROUUACIJSA-N 1 2 338.455 3.032 20 30 EGEDLO CC[C@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)[C@@H](CC)CN1C(C)=O ZINC000472349915 267230716 /nfs/dbraw/zinc/23/07/16/267230716.db2.gz OTCIHVVOTJXRTN-ROUUACIJSA-N 1 2 338.455 3.032 20 30 EGEDLO Cc1cc(N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nc(C2CC2)[nH+]1 ZINC000272544564 267350182 /nfs/dbraw/zinc/35/01/82/267350182.db2.gz SICJFMWOYIGLMS-KRWDZBQOSA-N 1 2 347.422 3.142 20 30 EGEDLO Cc1cc2[nH+]cn(C[C@@H](O)COc3ccc(C#N)c(F)c3)c2cc1C ZINC000270106428 267368201 /nfs/dbraw/zinc/36/82/01/267368201.db2.gz KKHCICCFTGLYJM-OAHLLOKOSA-N 1 2 339.370 3.104 20 30 EGEDLO Cc1nc(N2CCCN(c3ccccc3C#N)CC2)c2c([nH+]1)CCCC2 ZINC000302068321 267637254 /nfs/dbraw/zinc/63/72/54/267637254.db2.gz XAGKGLYIELXHHW-UHFFFAOYSA-N 1 2 347.466 3.252 20 30 EGEDLO Cc1ccc(C[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1C ZINC000452044351 268036893 /nfs/dbraw/zinc/03/68/93/268036893.db2.gz RFZDJVJMGWPDDS-UHFFFAOYSA-N 1 2 342.464 3.081 20 30 EGEDLO Cc1ccc(C[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1C ZINC000452044351 268036895 /nfs/dbraw/zinc/03/68/95/268036895.db2.gz RFZDJVJMGWPDDS-UHFFFAOYSA-N 1 2 342.464 3.081 20 30 EGEDLO Cc1[nH+]c(C(C)C)ccc1CN(C)S(=O)(=O)c1cccc(C#N)c1 ZINC000418877364 268072887 /nfs/dbraw/zinc/07/28/87/268072887.db2.gz ONICOJUCQPOMGJ-UHFFFAOYSA-N 1 2 343.452 3.206 20 30 EGEDLO N#Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000299199956 268149959 /nfs/dbraw/zinc/14/99/59/268149959.db2.gz UGUOATJNMNGMGM-SFHVURJKSA-N 1 2 337.448 3.287 20 30 EGEDLO N#Cc1c(F)cccc1C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000489396750 268162128 /nfs/dbraw/zinc/16/21/28/268162128.db2.gz QYXWPIBKSIBSQL-UHFFFAOYSA-N 1 2 338.386 3.013 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nc(Cl)ccc3Cl)C2)nc1 ZINC000292057291 268183230 /nfs/dbraw/zinc/18/32/30/268183230.db2.gz BTTWNRNWDIGWPA-GFCCVEGCSA-N 1 2 349.221 3.308 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3nc(Cl)ccc3Cl)C2)nc1 ZINC000292057291 268183233 /nfs/dbraw/zinc/18/32/33/268183233.db2.gz BTTWNRNWDIGWPA-GFCCVEGCSA-N 1 2 349.221 3.308 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3ccccn3)o2)cc1 ZINC000530724280 268196367 /nfs/dbraw/zinc/19/63/67/268196367.db2.gz KZOGBXLONSFKQM-KRWDZBQOSA-N 1 2 331.379 3.340 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3c3ccccn3)o2)cc1 ZINC000530724280 268196369 /nfs/dbraw/zinc/19/63/69/268196369.db2.gz KZOGBXLONSFKQM-KRWDZBQOSA-N 1 2 331.379 3.340 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)c(Cl)c1 ZINC000439449827 268216823 /nfs/dbraw/zinc/21/68/23/268216823.db2.gz JRUXUWLBKILQTJ-KGLIPLIRSA-N 1 2 332.753 3.489 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)c(Cl)c1 ZINC000439449827 268216826 /nfs/dbraw/zinc/21/68/26/268216826.db2.gz JRUXUWLBKILQTJ-KGLIPLIRSA-N 1 2 332.753 3.489 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)c(Cl)c1 ZINC000439447602 268217011 /nfs/dbraw/zinc/21/70/11/268217011.db2.gz RYORGIWRKYCGSD-QGZVFWFLSA-N 1 2 343.814 3.085 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C(=O)NCc2ccco2)c(Cl)c1 ZINC000439447602 268217014 /nfs/dbraw/zinc/21/70/14/268217014.db2.gz RYORGIWRKYCGSD-QGZVFWFLSA-N 1 2 343.814 3.085 20 30 EGEDLO N#Cc1cccc(OCC[N@H+]2CCOC[C@H]2c2ccc(F)cc2)c1 ZINC000451800271 268284652 /nfs/dbraw/zinc/28/46/52/268284652.db2.gz OYTIGCHLPRDEME-IBGZPJMESA-N 1 2 326.371 3.150 20 30 EGEDLO N#Cc1cccc(OCC[N@@H+]2CCOC[C@H]2c2ccc(F)cc2)c1 ZINC000451800271 268284655 /nfs/dbraw/zinc/28/46/55/268284655.db2.gz OYTIGCHLPRDEME-IBGZPJMESA-N 1 2 326.371 3.150 20 30 EGEDLO COc1ccc(C[NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)cc1C#N ZINC000174389793 533689492 /nfs/dbraw/zinc/68/94/92/533689492.db2.gz KYBDMQFDHUJMPG-MRXNPFEDSA-N 1 2 326.400 3.314 20 30 EGEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCc4cccc(F)c4C3)C2=O)cc1 ZINC000352780851 303193823 /nfs/dbraw/zinc/19/38/23/303193823.db2.gz WFCFPEFGLSGRAM-FQEVSTJZSA-N 1 2 349.409 3.251 20 30 EGEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCc4cccc(F)c4C3)C2=O)cc1 ZINC000352780851 303193825 /nfs/dbraw/zinc/19/38/25/303193825.db2.gz WFCFPEFGLSGRAM-FQEVSTJZSA-N 1 2 349.409 3.251 20 30 EGEDLO COC(=O)N(C)Cc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1 ZINC000123809824 307542960 /nfs/dbraw/zinc/54/29/60/307542960.db2.gz LSSUKCUXSUMQAO-UHFFFAOYSA-N 1 2 349.394 3.016 20 30 EGEDLO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1noc(Cc2ccccc2)n1 ZINC000542620542 314562731 /nfs/dbraw/zinc/56/27/31/314562731.db2.gz GVWGEGXHZDUEIM-HNNXBMFYSA-N 1 2 348.406 3.262 20 30 EGEDLO N#Cc1ccc(/C=C\c2nc(Cc3cn4ccccc4[nH+]3)no2)cc1 ZINC000544071933 314671399 /nfs/dbraw/zinc/67/13/99/314671399.db2.gz LNBIXOGNEKFJQS-HJWRWDBZSA-N 1 2 327.347 3.350 20 30 EGEDLO COc1cc(C#N)ccc1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000547417757 314899453 /nfs/dbraw/zinc/89/94/53/314899453.db2.gz XKPZYVFDEZLLGT-UHFFFAOYSA-N 1 2 347.378 3.074 20 30 EGEDLO Cc1nsc(N2CCc3c([nH+]cn3-c3ccc(C)cc3)C2)c1C#N ZINC000561340290 315757458 /nfs/dbraw/zinc/75/74/58/315757458.db2.gz DLAFJXPHUAAFAU-UHFFFAOYSA-N 1 2 335.436 3.380 20 30 EGEDLO CC(C)(C#N)C[NH2+]Cc1c(Br)cncc1Br ZINC000309532412 456576174 /nfs/dbraw/zinc/57/61/74/456576174.db2.gz CCGAIFMZRATRGS-UHFFFAOYSA-N 1 2 347.054 3.246 20 30 EGEDLO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000347190141 457279643 /nfs/dbraw/zinc/27/96/43/457279643.db2.gz GUWPBSSXGJTGDI-XHBSWPGZSA-N 1 2 337.261 3.302 20 30 EGEDLO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000347190141 457279648 /nfs/dbraw/zinc/27/96/48/457279648.db2.gz GUWPBSSXGJTGDI-XHBSWPGZSA-N 1 2 337.261 3.302 20 30 EGEDLO CC(C)CC[N@H+](CCC#N)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449021905 458419946 /nfs/dbraw/zinc/41/99/46/458419946.db2.gz FPHWQTSCBLUARW-MRXNPFEDSA-N 1 2 336.501 3.455 20 30 EGEDLO CC(C)CC[N@@H+](CCC#N)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449021905 458419951 /nfs/dbraw/zinc/41/99/51/458419951.db2.gz FPHWQTSCBLUARW-MRXNPFEDSA-N 1 2 336.501 3.455 20 30 EGEDLO CC(C)(C#N)CC[NH+]1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000157864364 455241700 /nfs/dbraw/zinc/24/17/00/455241700.db2.gz DTPKZSQRDIGVIY-UHFFFAOYSA-N 1 2 337.826 3.177 20 30 EGEDLO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612165623 460556937 /nfs/dbraw/zinc/55/69/37/460556937.db2.gz ODAKNFTVZYQDOJ-TWOQFEAHSA-N 1 2 327.472 3.440 20 30 EGEDLO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612165623 460556942 /nfs/dbraw/zinc/55/69/42/460556942.db2.gz ODAKNFTVZYQDOJ-TWOQFEAHSA-N 1 2 327.472 3.440 20 30 EGEDLO C[C@@H](c1cnn(C)c1)[N@H+](C)Cc1ccc(C#N)cc1Br ZINC000181233583 455305672 /nfs/dbraw/zinc/30/56/72/455305672.db2.gz JHVUCEPBIIOFFG-NSHDSACASA-N 1 2 333.233 3.247 20 30 EGEDLO C[C@@H](c1cnn(C)c1)[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000181233583 455305675 /nfs/dbraw/zinc/30/56/75/455305675.db2.gz JHVUCEPBIIOFFG-NSHDSACASA-N 1 2 333.233 3.247 20 30 EGEDLO C[C@](C#N)(NC(=O)C[N@H+](Cc1ccco1)Cc1cccs1)C1CC1 ZINC000007580851 453087229 /nfs/dbraw/zinc/08/72/29/453087229.db2.gz GAPYNLBCYKSURV-GOSISDBHSA-N 1 2 343.452 3.152 20 30 EGEDLO C[C@](C#N)(NC(=O)C[N@@H+](Cc1ccco1)Cc1cccs1)C1CC1 ZINC000007580851 453087239 /nfs/dbraw/zinc/08/72/39/453087239.db2.gz GAPYNLBCYKSURV-GOSISDBHSA-N 1 2 343.452 3.152 20 30 EGEDLO C=CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccc(Cl)s1 ZINC000008164365 453171028 /nfs/dbraw/zinc/17/10/28/453171028.db2.gz QVCFELWYKNSLOX-MRXNPFEDSA-N 1 2 339.892 3.444 20 30 EGEDLO C=CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccc(Cl)s1 ZINC000008164365 453171021 /nfs/dbraw/zinc/17/10/21/453171021.db2.gz QVCFELWYKNSLOX-MRXNPFEDSA-N 1 2 339.892 3.444 20 30 EGEDLO CCOc1ccccc1N1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000025806544 453786226 /nfs/dbraw/zinc/78/62/26/453786226.db2.gz CXVRRQYZZJMKCO-UHFFFAOYSA-N 1 2 339.414 3.418 20 30 EGEDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000026759113 453805146 /nfs/dbraw/zinc/80/51/46/453805146.db2.gz MOVHVERATAQDLH-AWEZNQCLSA-N 1 2 349.463 3.446 20 30 EGEDLO C[C@@H](c1ccc(F)cc1)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000029226718 453827423 /nfs/dbraw/zinc/82/74/23/453827423.db2.gz OTIUQEYEUDJICP-ZDUSSCGKSA-N 1 2 340.402 3.446 20 30 EGEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000081685501 453903424 /nfs/dbraw/zinc/90/34/24/453903424.db2.gz RRLLXMRTAGFZOE-ZWKOTPCHSA-N 1 2 334.423 3.065 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000054006293 453905240 /nfs/dbraw/zinc/90/52/40/453905240.db2.gz VOOHALHNEMGWHK-QGZVFWFLSA-N 1 2 331.379 3.203 20 30 EGEDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)on1 ZINC000075640448 453914412 /nfs/dbraw/zinc/91/44/12/453914412.db2.gz ZLFOMLFMWQMRFC-OAHLLOKOSA-N 1 2 335.367 3.242 20 30 EGEDLO Cc1cc([C@H]2CCC[N@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)on1 ZINC000075640448 453914414 /nfs/dbraw/zinc/91/44/14/453914414.db2.gz ZLFOMLFMWQMRFC-OAHLLOKOSA-N 1 2 335.367 3.242 20 30 EGEDLO Cc1ccc(/C=C/C(=O)c2ccc(O)c(C[NH+]3CCOCC3)c2)s1 ZINC000040413268 453950023 /nfs/dbraw/zinc/95/00/23/453950023.db2.gz RJDYDFUGNCIKOQ-FNORWQNLSA-N 1 2 343.448 3.490 20 30 EGEDLO N#Cc1ccc(/C=C\C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1 ZINC000056688839 454074354 /nfs/dbraw/zinc/07/43/54/454074354.db2.gz BZDRLDBOSGQLLX-YVMONPNESA-N 1 2 336.782 3.189 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438159 454100819 /nfs/dbraw/zinc/10/08/19/454100819.db2.gz CFANVKZZTVXFBH-GFCCVEGCSA-N 1 2 329.350 3.295 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438159 454100821 /nfs/dbraw/zinc/10/08/21/454100821.db2.gz CFANVKZZTVXFBH-GFCCVEGCSA-N 1 2 329.350 3.295 20 30 EGEDLO N#CC1CC[NH+](Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000057906216 454156288 /nfs/dbraw/zinc/15/62/88/454156288.db2.gz WOWACFMWAKPBLN-UHFFFAOYSA-N 1 2 347.216 3.235 20 30 EGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000130287830 454188514 /nfs/dbraw/zinc/18/85/14/454188514.db2.gz GHKGGFQZNPBGFW-OAHLLOKOSA-N 1 2 339.464 3.333 20 30 EGEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000094135198 454189126 /nfs/dbraw/zinc/18/91/26/454189126.db2.gz OOALQVSBCSLPHI-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO COC(=O)c1cc(C[N@H+](C)Cc2cn3ccccc3c2C#N)oc1C ZINC000078432611 454252307 /nfs/dbraw/zinc/25/23/07/454252307.db2.gz AYUFXHKWLPVYOE-UHFFFAOYSA-N 1 2 337.379 3.131 20 30 EGEDLO COC(=O)c1cc(C[N@@H+](C)Cc2cn3ccccc3c2C#N)oc1C ZINC000078432611 454252312 /nfs/dbraw/zinc/25/23/12/454252312.db2.gz AYUFXHKWLPVYOE-UHFFFAOYSA-N 1 2 337.379 3.131 20 30 EGEDLO Cc1cc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc[nH+]1 ZINC000120088889 454256819 /nfs/dbraw/zinc/25/68/19/454256819.db2.gz FXXSZLCTRCSEDV-UHFFFAOYSA-N 1 2 336.395 3.337 20 30 EGEDLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000046519164 454260097 /nfs/dbraw/zinc/26/00/97/454260097.db2.gz HKFFWWLCKVNUIP-CQSZACIVSA-N 1 2 335.407 3.220 20 30 EGEDLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000046519164 454260100 /nfs/dbraw/zinc/26/01/00/454260100.db2.gz HKFFWWLCKVNUIP-CQSZACIVSA-N 1 2 335.407 3.220 20 30 EGEDLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046528576 454261475 /nfs/dbraw/zinc/26/14/75/454261475.db2.gz YCVSJGGHPDIPKV-CQSZACIVSA-N 1 2 335.407 3.220 20 30 EGEDLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046528576 454261480 /nfs/dbraw/zinc/26/14/80/454261480.db2.gz YCVSJGGHPDIPKV-CQSZACIVSA-N 1 2 335.407 3.220 20 30 EGEDLO N#Cc1cc(C#N)c(SCc2cn3cc(Cl)ccc3[nH+]2)nc1N ZINC000060583035 454304901 /nfs/dbraw/zinc/30/49/01/454304901.db2.gz DZRURHABVDNIPB-UHFFFAOYSA-N 1 2 340.799 3.001 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072692559 454328102 /nfs/dbraw/zinc/32/81/02/454328102.db2.gz OJVBGMGQOFJPQB-UHFFFAOYSA-N 1 2 346.431 3.494 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072692559 454328107 /nfs/dbraw/zinc/32/81/07/454328107.db2.gz OJVBGMGQOFJPQB-UHFFFAOYSA-N 1 2 346.431 3.494 20 30 EGEDLO Fc1cccnc1N1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000090631728 454329820 /nfs/dbraw/zinc/32/98/20/454329820.db2.gz BWBFJDQCGCVJTI-UHFFFAOYSA-N 1 2 329.806 3.048 20 30 EGEDLO C=CC[N@@H+](CCOC)Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000191097874 455442194 /nfs/dbraw/zinc/44/21/94/455442194.db2.gz ZHIOSOKEDMPSKO-UHFFFAOYSA-N 1 2 348.468 3.462 20 30 EGEDLO C=CC[N@H+](CCOC)Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000191097874 455442200 /nfs/dbraw/zinc/44/22/00/455442200.db2.gz ZHIOSOKEDMPSKO-UHFFFAOYSA-N 1 2 348.468 3.462 20 30 EGEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000047514923 454379752 /nfs/dbraw/zinc/37/97/52/454379752.db2.gz AEXORLBTCVIHQN-AWEZNQCLSA-N 1 2 332.363 3.150 20 30 EGEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000047514924 454380321 /nfs/dbraw/zinc/38/03/21/454380321.db2.gz AEXORLBTCVIHQN-CQSZACIVSA-N 1 2 332.363 3.150 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)Nc1ccc(C#N)cc1 ZINC000047700019 454401522 /nfs/dbraw/zinc/40/15/22/454401522.db2.gz BGAPHRFOTKJUSS-UHFFFAOYSA-N 1 2 333.395 3.428 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000121357206 454424824 /nfs/dbraw/zinc/42/48/24/454424824.db2.gz MOUNXFBVUBBKQZ-UHFFFAOYSA-N 1 2 346.446 3.247 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCc4ccc(F)cc4C3)o2)cc1 ZINC000134098101 454502894 /nfs/dbraw/zinc/50/28/94/454502894.db2.gz MEUFFLBWHJKNCA-UHFFFAOYSA-N 1 2 334.354 3.306 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCc4ccc(F)cc4C3)o2)cc1 ZINC000134098101 454502898 /nfs/dbraw/zinc/50/28/98/454502898.db2.gz MEUFFLBWHJKNCA-UHFFFAOYSA-N 1 2 334.354 3.306 20 30 EGEDLO CCOc1cccc(/C=[NH+]/CCc2ccc(NC(C)=O)cc2)c1O ZINC000103348621 454550010 /nfs/dbraw/zinc/55/00/10/454550010.db2.gz KOGYXZZAINZRLA-DEDYPNTBSA-N 1 2 326.396 3.411 20 30 EGEDLO Cc1cccc(C2=CC[N@@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)c1 ZINC000092821922 454642419 /nfs/dbraw/zinc/64/24/19/454642419.db2.gz XIFRGWFFRLCQLC-FQEVSTJZSA-N 1 2 331.419 3.182 20 30 EGEDLO Cc1cccc(C2=CC[N@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)c1 ZINC000092821922 454642424 /nfs/dbraw/zinc/64/24/24/454642424.db2.gz XIFRGWFFRLCQLC-FQEVSTJZSA-N 1 2 331.419 3.182 20 30 EGEDLO CC(C)[C@@H](NC(=O)C[N@H+](CCC#N)CC1CC1)c1ccc(F)cc1 ZINC000081043901 454676268 /nfs/dbraw/zinc/67/62/68/454676268.db2.gz JTJDFEWXONROFJ-LJQANCHMSA-N 1 2 331.435 3.265 20 30 EGEDLO CC(C)[C@@H](NC(=O)C[N@@H+](CCC#N)CC1CC1)c1ccc(F)cc1 ZINC000081043901 454676269 /nfs/dbraw/zinc/67/62/69/454676269.db2.gz JTJDFEWXONROFJ-LJQANCHMSA-N 1 2 331.435 3.265 20 30 EGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(Cl)ccc1Cl ZINC000081158182 454691869 /nfs/dbraw/zinc/69/18/69/454691869.db2.gz RCRFKQINHITAPC-UHFFFAOYSA-N 1 2 342.270 3.041 20 30 EGEDLO CC(C)(C#N)c1ccccc1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000153183038 454767906 /nfs/dbraw/zinc/76/79/06/454767906.db2.gz ASNILTAPBCTYJD-UHFFFAOYSA-N 1 2 334.467 3.201 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000153196173 454769700 /nfs/dbraw/zinc/76/97/00/454769700.db2.gz CAOJHHJRVCRMNA-ACJLOTCBSA-N 1 2 333.863 3.141 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000153196173 454769701 /nfs/dbraw/zinc/76/97/01/454769701.db2.gz CAOJHHJRVCRMNA-ACJLOTCBSA-N 1 2 333.863 3.141 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1SC[C@@H](C)C#N)[NH+]1CCSCC1 ZINC000125108365 454797164 /nfs/dbraw/zinc/79/71/64/454797164.db2.gz QPDQREKTNXUCMD-UONOGXRCSA-N 1 2 349.525 3.314 20 30 EGEDLO CCN(CC)C(=O)[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccccc1 ZINC000139027122 454801116 /nfs/dbraw/zinc/80/11/16/454801116.db2.gz RBGHOWBFECOPRY-IBGZPJMESA-N 1 2 339.414 3.397 20 30 EGEDLO CCCO[C@@H]1CCC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000177064505 454818101 /nfs/dbraw/zinc/81/81/01/454818101.db2.gz CFYINACOMSCDKK-MSOLQXFVSA-N 1 2 330.428 3.053 20 30 EGEDLO CCCO[C@@H]1CCC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000177064505 454818103 /nfs/dbraw/zinc/81/81/03/454818103.db2.gz CFYINACOMSCDKK-MSOLQXFVSA-N 1 2 330.428 3.053 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000125407635 454820005 /nfs/dbraw/zinc/82/00/05/454820005.db2.gz FSSULYBDEXHXIO-FQEVSTJZSA-N 1 2 342.483 3.253 20 30 EGEDLO COc1cc(-c2nc(C[NH+]3CCC(C#N)CC3)cs2)ccc1O ZINC000112339241 454884899 /nfs/dbraw/zinc/88/48/99/454884899.db2.gz UKCRVKSUOBEYNY-UHFFFAOYSA-N 1 2 329.425 3.260 20 30 EGEDLO C=C[C@H](CC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000126319357 454885072 /nfs/dbraw/zinc/88/50/72/454885072.db2.gz XPGQDLWZMJVEBP-GOSISDBHSA-N 1 2 335.451 3.086 20 30 EGEDLO CC#CCNC(=O)c1ccc(SCc2cn3ccccc3[nH+]2)cc1 ZINC000126514651 454899495 /nfs/dbraw/zinc/89/94/95/454899495.db2.gz APDWNPXNTGQXKL-UHFFFAOYSA-N 1 2 335.432 3.380 20 30 EGEDLO COC(=O)[C@@H]([NH2+]C1CCC(OC(C)C)CC1)c1cccc(C#N)c1 ZINC000155162184 454969491 /nfs/dbraw/zinc/96/94/91/454969491.db2.gz PSKHPYFPFRXVIU-ABHNRTSZSA-N 1 2 330.428 3.098 20 30 EGEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc2[nH+]ccn2c1 ZINC000170864992 454989551 /nfs/dbraw/zinc/98/95/51/454989551.db2.gz SAPUIARDRLXYQE-UHFFFAOYSA-N 1 2 343.308 3.135 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccnc2)c(C#N)c1C ZINC000127745543 454993804 /nfs/dbraw/zinc/99/38/04/454993804.db2.gz WTCRQFQPPGECMN-LBPRGKRZSA-N 1 2 328.441 3.263 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+](C)[C@@H](C)c2cccnc2)c(C#N)c1C ZINC000127745543 454993809 /nfs/dbraw/zinc/99/38/09/454993809.db2.gz WTCRQFQPPGECMN-LBPRGKRZSA-N 1 2 328.441 3.263 20 30 EGEDLO O=[N+]([O-])c1ccc(O)c(/C=N/CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000179703837 455068879 /nfs/dbraw/zinc/06/88/79/455068879.db2.gz VFQOWSJOKLHYCM-DEDYPNTBSA-N 1 2 340.383 3.031 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](OCC)C1 ZINC000156008919 455072010 /nfs/dbraw/zinc/07/20/10/455072010.db2.gz XRCMOHOIDDHVOR-OAHLLOKOSA-N 1 2 334.485 3.404 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](OCC)C1 ZINC000156008919 455072014 /nfs/dbraw/zinc/07/20/14/455072014.db2.gz XRCMOHOIDDHVOR-OAHLLOKOSA-N 1 2 334.485 3.404 20 30 EGEDLO C[C@@H](C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1)[NH+]1CCSCC1 ZINC000152379486 455110252 /nfs/dbraw/zinc/11/02/52/455110252.db2.gz CERLOZRIYGHNJQ-YOEHRIQHSA-N 1 2 345.512 3.102 20 30 EGEDLO Cc1cc(Cl)cc(C)c1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000156418316 455116289 /nfs/dbraw/zinc/11/62/89/455116289.db2.gz SQNZNYIHZXDJBX-UHFFFAOYSA-N 1 2 335.879 3.005 20 30 EGEDLO Cc1cc(Cl)cc(C)c1C[N@H+](CCC#N)CCN1CCOCC1 ZINC000156418316 455116290 /nfs/dbraw/zinc/11/62/90/455116290.db2.gz SQNZNYIHZXDJBX-UHFFFAOYSA-N 1 2 335.879 3.005 20 30 EGEDLO Cc1cc(Cl)cc(C)c1C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000156418316 455116292 /nfs/dbraw/zinc/11/62/92/455116292.db2.gz SQNZNYIHZXDJBX-UHFFFAOYSA-N 1 2 335.879 3.005 20 30 EGEDLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)CSCC#N)CC1 ZINC000180133622 455137968 /nfs/dbraw/zinc/13/79/68/455137968.db2.gz QZAGFIQHWOEQSM-UHFFFAOYSA-N 1 2 342.468 3.019 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+](CCC(F)(F)F)CC2CC2)c(C#N)c1C ZINC000156722457 455146372 /nfs/dbraw/zinc/14/63/72/455146372.db2.gz NOGTXTWYEVMVTF-UHFFFAOYSA-N 1 2 343.349 3.371 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+](CCC(F)(F)F)CC2CC2)c(C#N)c1C ZINC000156722457 455146373 /nfs/dbraw/zinc/14/63/73/455146373.db2.gz NOGTXTWYEVMVTF-UHFFFAOYSA-N 1 2 343.349 3.371 20 30 EGEDLO COCC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1 ZINC000173490329 455291846 /nfs/dbraw/zinc/29/18/46/455291846.db2.gz CISCFILGKHYKFA-UHFFFAOYSA-N 1 2 348.406 3.257 20 30 EGEDLO COCC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1 ZINC000173490329 455291850 /nfs/dbraw/zinc/29/18/50/455291850.db2.gz CISCFILGKHYKFA-UHFFFAOYSA-N 1 2 348.406 3.257 20 30 EGEDLO C=CCCC[C@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000181391872 455327968 /nfs/dbraw/zinc/32/79/68/455327968.db2.gz AHTMAMPACBCRBL-IRXDYDNUSA-N 1 2 330.476 3.215 20 30 EGEDLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000245670382 455351579 /nfs/dbraw/zinc/35/15/79/455351579.db2.gz PFIULJQXPPNJPI-SCLBCKFNSA-N 1 2 348.516 3.376 20 30 EGEDLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000245670382 455351583 /nfs/dbraw/zinc/35/15/83/455351583.db2.gz PFIULJQXPPNJPI-SCLBCKFNSA-N 1 2 348.516 3.376 20 30 EGEDLO C=C(C)COc1cc(C[N@@H+]2CCN(C(C)=O)CC2(C)C)ccc1OC ZINC000182085970 455432121 /nfs/dbraw/zinc/43/21/21/455432121.db2.gz FMHBMEITIROTPD-UHFFFAOYSA-N 1 2 346.471 3.093 20 30 EGEDLO C=C(C)COc1cc(C[N@H+]2CCN(C(C)=O)CC2(C)C)ccc1OC ZINC000182085970 455432127 /nfs/dbraw/zinc/43/21/27/455432127.db2.gz FMHBMEITIROTPD-UHFFFAOYSA-N 1 2 346.471 3.093 20 30 EGEDLO COCCN(C)c1ccc(/C=C/C(=O)c2ccc(N(C)C)cc2)c[nH+]1 ZINC000191242160 455470515 /nfs/dbraw/zinc/47/05/15/455470515.db2.gz JFOAIZXKRWUPPX-VZUCSPMQSA-N 1 2 339.439 3.126 20 30 EGEDLO C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)C(=O)OC1CCCC1 ZINC000267109477 455503052 /nfs/dbraw/zinc/50/30/52/455503052.db2.gz QUVYQQMPVVMTBM-HNNXBMFYSA-N 1 2 329.444 3.000 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000185263247 455531170 /nfs/dbraw/zinc/53/11/70/455531170.db2.gz NOBOUNKNQNAFGI-AWEZNQCLSA-N 1 2 334.464 3.193 20 30 EGEDLO COc1cccc2c1CC[N@H+](CC(=O)N(CCC#N)c1ccccc1)C2 ZINC000182684353 455567401 /nfs/dbraw/zinc/56/74/01/455567401.db2.gz BPRQREUVMCFFMP-UHFFFAOYSA-N 1 2 349.434 3.000 20 30 EGEDLO COc1cccc2c1CC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C2 ZINC000182684353 455567405 /nfs/dbraw/zinc/56/74/05/455567405.db2.gz BPRQREUVMCFFMP-UHFFFAOYSA-N 1 2 349.434 3.000 20 30 EGEDLO C=CCN(C(=O)NCc1[nH+]ccn1CCCc1ccccc1)C1CC1 ZINC000271354775 455608638 /nfs/dbraw/zinc/60/86/38/455608638.db2.gz DWGVEWFWAJTHTQ-UHFFFAOYSA-N 1 2 338.455 3.376 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccc(Br)cc1F)C1CC1 ZINC000271478172 455653266 /nfs/dbraw/zinc/65/32/66/455653266.db2.gz SDKFJZBWHJUREQ-UHFFFAOYSA-N 1 2 327.197 3.177 20 30 EGEDLO N#Cc1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000268193514 455614639 /nfs/dbraw/zinc/61/46/39/455614639.db2.gz NKWTWWPMVFBKKL-UHFFFAOYSA-N 1 2 346.356 3.294 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Br)cc1F)C1CC1 ZINC000271478172 455653263 /nfs/dbraw/zinc/65/32/63/455653263.db2.gz SDKFJZBWHJUREQ-UHFFFAOYSA-N 1 2 327.197 3.177 20 30 EGEDLO C#CC[C@H](Nc1cc(N2CCCC[C@H]2CO)nc[nH+]1)c1ccccc1 ZINC000277949694 455717819 /nfs/dbraw/zinc/71/78/19/455717819.db2.gz XPHMJAKYBSLCTI-ROUUACIJSA-N 1 2 336.439 3.004 20 30 EGEDLO C#CC[C@H](Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1)c1ccccc1 ZINC000277949694 455717823 /nfs/dbraw/zinc/71/78/23/455717823.db2.gz XPHMJAKYBSLCTI-ROUUACIJSA-N 1 2 336.439 3.004 20 30 EGEDLO Cc1nc(N2CCC[N@H+](Cc3cscn3)CC2)c(Cl)cc1C#N ZINC000292743461 455745646 /nfs/dbraw/zinc/74/56/46/455745646.db2.gz VHEXRPVQZOCRMP-UHFFFAOYSA-N 1 2 347.875 3.084 20 30 EGEDLO Cc1nc(N2CCC[N@@H+](Cc3cscn3)CC2)c(Cl)cc1C#N ZINC000292743461 455745651 /nfs/dbraw/zinc/74/56/51/455745651.db2.gz VHEXRPVQZOCRMP-UHFFFAOYSA-N 1 2 347.875 3.084 20 30 EGEDLO N#Cc1ccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000269163745 455800719 /nfs/dbraw/zinc/80/07/19/455800719.db2.gz VIXWCOOSPIJMBT-LBPRGKRZSA-N 1 2 329.791 3.346 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)Cc1c(Br)c(C)nn1C ZINC000279775763 455872756 /nfs/dbraw/zinc/87/27/56/455872756.db2.gz GWAXQSDHFDGKGS-UHFFFAOYSA-N 1 2 338.249 3.315 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)Cc1c(Br)c(C)nn1C ZINC000279775763 455872761 /nfs/dbraw/zinc/87/27/61/455872761.db2.gz GWAXQSDHFDGKGS-UHFFFAOYSA-N 1 2 338.249 3.315 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000279852365 455875976 /nfs/dbraw/zinc/87/59/76/455875976.db2.gz BCKNLHOTFVNIAV-NRFANRHFSA-N 1 2 337.467 3.494 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000280016316 455880735 /nfs/dbraw/zinc/88/07/35/455880735.db2.gz FGEGINKDQQHKPQ-ZMZPIMSZSA-N 1 2 346.381 3.212 20 30 EGEDLO N#Cc1cccc(OCC[N@@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)c1 ZINC000187276368 455890457 /nfs/dbraw/zinc/89/04/57/455890457.db2.gz VLQGWENOEYOXIF-LJQANCHMSA-N 1 2 344.361 3.289 20 30 EGEDLO N#Cc1cccc(OCC[N@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)c1 ZINC000187276368 455890463 /nfs/dbraw/zinc/89/04/63/455890463.db2.gz VLQGWENOEYOXIF-LJQANCHMSA-N 1 2 344.361 3.289 20 30 EGEDLO C=CCC[C@H](C(=O)N1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000187594786 455928420 /nfs/dbraw/zinc/92/84/20/455928420.db2.gz KCDPSGNJTVXNED-NRFANRHFSA-N 1 2 349.478 3.476 20 30 EGEDLO C#CCCCSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000270805233 456043058 /nfs/dbraw/zinc/04/30/58/456043058.db2.gz BRKRDJDYHZDQCB-UHFFFAOYSA-N 1 2 340.496 3.428 20 30 EGEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000286440166 456047295 /nfs/dbraw/zinc/04/72/95/456047295.db2.gz JHBFRJVHWBVBEZ-HNNXBMFYSA-N 1 2 345.748 3.119 20 30 EGEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000286440166 456047300 /nfs/dbraw/zinc/04/73/00/456047300.db2.gz JHBFRJVHWBVBEZ-HNNXBMFYSA-N 1 2 345.748 3.119 20 30 EGEDLO Cc1cc(NC(=O)N(C)C[C@H](C)C#N)c[nH+]c1N1CCCC[C@H]1C ZINC000272709683 456047941 /nfs/dbraw/zinc/04/79/41/456047941.db2.gz XHIBPPXBKKEZRW-UKRRQHHQSA-N 1 2 329.448 3.392 20 30 EGEDLO C[NH+](C)[C@@H](CNc1ccc(C#N)cc1[N+](=O)[O-])c1c(F)cccc1F ZINC000301291596 456083557 /nfs/dbraw/zinc/08/35/57/456083557.db2.gz NVJZFBPVLPMSGA-INIZCTEOSA-N 1 2 346.337 3.459 20 30 EGEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000271110107 456129379 /nfs/dbraw/zinc/12/93/79/456129379.db2.gz AQMQQRYJJIFRQC-NSHDSACASA-N 1 2 339.233 3.202 20 30 EGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000271110107 456129388 /nfs/dbraw/zinc/12/93/88/456129388.db2.gz AQMQQRYJJIFRQC-NSHDSACASA-N 1 2 339.233 3.202 20 30 EGEDLO CC1(C)C[NH+]=C(N2CCN(c3cc(Cl)ccc3C#N)CC2)S1 ZINC000301739689 456201838 /nfs/dbraw/zinc/20/18/38/456201838.db2.gz JYWHTPUXKQANOY-UHFFFAOYSA-N 1 2 334.876 3.215 20 30 EGEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000263863131 456246937 /nfs/dbraw/zinc/24/69/37/456246937.db2.gz BDVZQWXDWNXZSO-UHFFFAOYSA-N 1 2 347.422 3.326 20 30 EGEDLO C=C(C)[C@H](CC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)OCC ZINC000274137752 456250712 /nfs/dbraw/zinc/25/07/12/456250712.db2.gz APBIUCBELWNALE-WBVHZDCISA-N 1 2 336.501 3.325 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000352793006 456313478 /nfs/dbraw/zinc/31/34/78/456313478.db2.gz OKWAGNUSAGDFLF-IXDOHACOSA-N 1 2 348.487 3.328 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000352793006 456313482 /nfs/dbraw/zinc/31/34/82/456313482.db2.gz OKWAGNUSAGDFLF-IXDOHACOSA-N 1 2 348.487 3.328 20 30 EGEDLO CC(C)N1CCC[C@H]([N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1=O ZINC000336878285 456314752 /nfs/dbraw/zinc/31/47/52/456314752.db2.gz CWLITUGTDMSFTQ-OTWHNJEPSA-N 1 2 325.456 3.158 20 30 EGEDLO CC(C)N1CCC[C@H]([N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1=O ZINC000336878285 456314754 /nfs/dbraw/zinc/31/47/54/456314754.db2.gz CWLITUGTDMSFTQ-OTWHNJEPSA-N 1 2 325.456 3.158 20 30 EGEDLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000352795342 456315371 /nfs/dbraw/zinc/31/53/71/456315371.db2.gz IOTCOESQGUBHRY-MRVPVSSYSA-N 1 2 343.378 3.241 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000352800706 456320612 /nfs/dbraw/zinc/32/06/12/456320612.db2.gz HURWNFZGIYQUEI-INIZCTEOSA-N 1 2 342.439 3.486 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000352800706 456320614 /nfs/dbraw/zinc/32/06/14/456320614.db2.gz HURWNFZGIYQUEI-INIZCTEOSA-N 1 2 342.439 3.486 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](Cc2cccc(C)c2)Cc2ccccn2)C1=O ZINC000282031454 456395722 /nfs/dbraw/zinc/39/57/22/456395722.db2.gz QBXUMYLGSJPWMA-FQEVSTJZSA-N 1 2 335.451 3.179 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](Cc2cccc(C)c2)Cc2ccccn2)C1=O ZINC000282031454 456395730 /nfs/dbraw/zinc/39/57/30/456395730.db2.gz QBXUMYLGSJPWMA-FQEVSTJZSA-N 1 2 335.451 3.179 20 30 EGEDLO N#CCSCCC[N@H+]1CCOc2ccc(Br)cc2C1 ZINC000282645073 456579990 /nfs/dbraw/zinc/57/99/90/456579990.db2.gz AFTVGOTUQNMLLE-UHFFFAOYSA-N 1 2 341.274 3.290 20 30 EGEDLO N#CCSCCC[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC000282645073 456579996 /nfs/dbraw/zinc/57/99/96/456579996.db2.gz AFTVGOTUQNMLLE-UHFFFAOYSA-N 1 2 341.274 3.290 20 30 EGEDLO COc1cc[nH+]cc1CNC(=O)c1sc2ccc(C#N)cc2c1C ZINC000348273611 456588384 /nfs/dbraw/zinc/58/83/84/456588384.db2.gz AHWGHNHNRKJMJA-UHFFFAOYSA-N 1 2 337.404 3.415 20 30 EGEDLO CC1CCN(c2ccc(CNC(=O)C3(C#N)CCCCC3)c[nH+]2)CC1 ZINC000299113705 456609890 /nfs/dbraw/zinc/60/98/90/456609890.db2.gz CPQFYGIBXMYKJK-UHFFFAOYSA-N 1 2 340.471 3.408 20 30 EGEDLO N#CCC[N@H+](Cc1ccco1)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283058341 456700747 /nfs/dbraw/zinc/70/07/47/456700747.db2.gz JJQVOUDGGNWBNU-QGZVFWFLSA-N 1 2 337.423 3.158 20 30 EGEDLO N#CCC[N@@H+](Cc1ccco1)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283058341 456700752 /nfs/dbraw/zinc/70/07/52/456700752.db2.gz JJQVOUDGGNWBNU-QGZVFWFLSA-N 1 2 337.423 3.158 20 30 EGEDLO Cc1cc([C@@H]2CCCN2C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)on1 ZINC000328646235 456727769 /nfs/dbraw/zinc/72/77/69/456727769.db2.gz GRDHEXJZRJAMOA-CABCVRRESA-N 1 2 343.431 3.116 20 30 EGEDLO Cc1cnc(C2CC[NH+](CC(=O)Nc3cccc(C#N)c3)CC2)s1 ZINC000277332603 456782098 /nfs/dbraw/zinc/78/20/98/456782098.db2.gz GMYRMMHFYCFLMO-UHFFFAOYSA-N 1 2 340.452 3.141 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc([S@](C)=O)cc1 ZINC000348647415 456799260 /nfs/dbraw/zinc/79/92/60/456799260.db2.gz QOOKIMFFSPDLDC-QHCPKHFHSA-N 1 2 333.453 3.088 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc([S@](C)=O)cc1 ZINC000348647415 456799266 /nfs/dbraw/zinc/79/92/66/456799266.db2.gz QOOKIMFFSPDLDC-QHCPKHFHSA-N 1 2 333.453 3.088 20 30 EGEDLO Nc1ccc(CNC(=O)Nc2cccc(C#Cc3ccccc3)c2)c[nH+]1 ZINC000338409105 456803986 /nfs/dbraw/zinc/80/39/86/456803986.db2.gz KUYXAERSRXJSTN-UHFFFAOYSA-N 1 2 342.402 3.216 20 30 EGEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1CCC(=O)[C@H](C)C1 ZINC000328978268 456806194 /nfs/dbraw/zinc/80/61/94/456806194.db2.gz WZCIFCMLYOOTSG-WBVHZDCISA-N 1 2 344.455 3.421 20 30 EGEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C[C@H]1C ZINC000329011992 456813130 /nfs/dbraw/zinc/81/31/30/456813130.db2.gz ARNVZYMVZQXCEZ-RBSFLKMASA-N 1 2 332.492 3.387 20 30 EGEDLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c(F)c1 ZINC000329025981 456817318 /nfs/dbraw/zinc/81/73/18/456817318.db2.gz JRCGQIIGULBEBY-CYBMUJFWSA-N 1 2 344.390 3.472 20 30 EGEDLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c(F)c1 ZINC000329025981 456817327 /nfs/dbraw/zinc/81/73/27/456817327.db2.gz JRCGQIIGULBEBY-CYBMUJFWSA-N 1 2 344.390 3.472 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)C[C@@H]1CCCCO1)C1CCOCC1 ZINC000329039832 456820106 /nfs/dbraw/zinc/82/01/06/456820106.db2.gz HUTGXIKGRYFSGV-DOTOQJQBSA-N 1 2 335.448 3.286 20 30 EGEDLO Cc1noc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3c(F)cccc3F)C2)n1 ZINC000329065491 456825571 /nfs/dbraw/zinc/82/55/71/456825571.db2.gz WEMZFBFUMJQQGL-KOLCDFICSA-N 1 2 336.342 3.122 20 30 EGEDLO Cc1noc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3c(F)cccc3F)C2)n1 ZINC000329065491 456825578 /nfs/dbraw/zinc/82/55/78/456825578.db2.gz WEMZFBFUMJQQGL-KOLCDFICSA-N 1 2 336.342 3.122 20 30 EGEDLO CC[C@@H]1CC[C@H](C(=O)N[C@@H](c2[nH+]ccn2CC)C2CCOCC2)O1 ZINC000329079410 456830537 /nfs/dbraw/zinc/83/05/37/456830537.db2.gz QWRFUZXGBDNILL-BZUAXINKSA-N 1 2 335.448 3.285 20 30 EGEDLO N#Cc1ccncc1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000341323240 456847028 /nfs/dbraw/zinc/84/70/28/456847028.db2.gz CKLIMZQLRGBHHO-UHFFFAOYSA-N 1 2 343.390 3.405 20 30 EGEDLO N#CCOc1ccc(C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)cc1 ZINC000292130040 456863017 /nfs/dbraw/zinc/86/30/17/456863017.db2.gz LLCLQHJCTUVLPL-QGZVFWFLSA-N 1 2 325.416 3.118 20 30 EGEDLO O=C(NCCOC1CCCCCC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329308064 456869775 /nfs/dbraw/zinc/86/97/75/456869775.db2.gz ZMEDJXGWVHIQGR-SFHVURJKSA-N 1 2 338.492 3.326 20 30 EGEDLO O=C(NCCOC1CCCCCC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329308064 456869780 /nfs/dbraw/zinc/86/97/80/456869780.db2.gz ZMEDJXGWVHIQGR-SFHVURJKSA-N 1 2 338.492 3.326 20 30 EGEDLO CC[C@@H]1CC[C@H](C)N1C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329360412 456878506 /nfs/dbraw/zinc/87/85/06/456878506.db2.gz XWZUYRBBTOWHQD-NUEKZKHPSA-N 1 2 334.464 3.065 20 30 EGEDLO C[C@@H]1CCCc2ccccc2[C@@H]1[NH+]=C([O-])N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329548134 456907242 /nfs/dbraw/zinc/90/72/42/456907242.db2.gz HPYSQIMILQMTTN-ZXYWRSMDSA-N 1 2 338.455 3.484 20 30 EGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2C[C@]23CCOC3)C[C@@H](C)O1 ZINC000329681871 456927157 /nfs/dbraw/zinc/92/71/57/456927157.db2.gz XCJGBLCKTUMOPW-UOSKARGWSA-N 1 2 344.455 3.310 20 30 EGEDLO CCc1cccc(F)c1C[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000353830914 456927280 /nfs/dbraw/zinc/92/72/80/456927280.db2.gz YRYQVLSOZNAWFT-YCRPNKLZSA-N 1 2 349.409 3.234 20 30 EGEDLO CCc1cccc(F)c1C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000353830914 456927282 /nfs/dbraw/zinc/92/72/82/456927282.db2.gz YRYQVLSOZNAWFT-YCRPNKLZSA-N 1 2 349.409 3.234 20 30 EGEDLO CC1(C)[C@H](NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)[C@@H]2CCCO[C@H]21 ZINC000329809572 456944322 /nfs/dbraw/zinc/94/43/22/456944322.db2.gz QCWOATDMQYFZSF-GBJTYRQASA-N 1 2 332.448 3.054 20 30 EGEDLO COc1ccccc1OCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341797757 456949245 /nfs/dbraw/zinc/94/92/45/456949245.db2.gz ISYGRRVTSZLXAE-FQEVSTJZSA-N 1 2 338.407 3.019 20 30 EGEDLO COc1ccccc1OCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341797757 456949250 /nfs/dbraw/zinc/94/92/50/456949250.db2.gz ISYGRRVTSZLXAE-FQEVSTJZSA-N 1 2 338.407 3.019 20 30 EGEDLO CCC(CC)[C@H](C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21)[NH+]1CCOCC1 ZINC000329935294 456963786 /nfs/dbraw/zinc/96/37/86/456963786.db2.gz QXOXTZNUYIYEPL-ZJPYXAASSA-N 1 2 338.492 3.038 20 30 EGEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](C#N)c1ccc(F)cc1)C2 ZINC000353917941 456964654 /nfs/dbraw/zinc/96/46/54/456964654.db2.gz XWKQTJHBOZMALL-GUYCJALGSA-N 1 2 340.402 3.158 20 30 EGEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](C#N)c1ccc(F)cc1)CC2 ZINC000353917941 456964658 /nfs/dbraw/zinc/96/46/58/456964658.db2.gz XWKQTJHBOZMALL-GUYCJALGSA-N 1 2 340.402 3.158 20 30 EGEDLO Cc1[nH]c2ccc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)cc2[nH+]1 ZINC000349419455 456966775 /nfs/dbraw/zinc/96/67/75/456966775.db2.gz DDVLJKCVFHSJMO-HNNXBMFYSA-N 1 2 329.363 3.064 20 30 EGEDLO CC[C@@H]1C[N@@H+]([C@H](C(=O)NC2CC2)c2ccccc2)C[C@@]2(CCOC2)O1 ZINC000330083707 456983083 /nfs/dbraw/zinc/98/30/83/456983083.db2.gz BOBLPNRFVNGORQ-WSTZPKSXSA-N 1 2 344.455 3.117 20 30 EGEDLO CC[C@@H]1C[N@H+]([C@H](C(=O)NC2CC2)c2ccccc2)C[C@@]2(CCOC2)O1 ZINC000330083707 456983086 /nfs/dbraw/zinc/98/30/86/456983086.db2.gz BOBLPNRFVNGORQ-WSTZPKSXSA-N 1 2 344.455 3.117 20 30 EGEDLO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330093800 456983781 /nfs/dbraw/zinc/98/37/81/456983781.db2.gz RZLGWANMFXYLAC-HOTGVXAUSA-N 1 2 334.464 3.097 20 30 EGEDLO COc1cc(C[N@H+](C)CC(C)(C)C#N)cc(OC)c1OCC(F)F ZINC000354016705 457011359 /nfs/dbraw/zinc/01/13/59/457011359.db2.gz BZAKUZCVCNOJEX-UHFFFAOYSA-N 1 2 342.386 3.329 20 30 EGEDLO COc1cc(C[N@@H+](C)CC(C)(C)C#N)cc(OC)c1OCC(F)F ZINC000354016705 457011363 /nfs/dbraw/zinc/01/13/63/457011363.db2.gz BZAKUZCVCNOJEX-UHFFFAOYSA-N 1 2 342.386 3.329 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@@H]1CCO[C@@H](C)C1 ZINC000330248784 457011776 /nfs/dbraw/zinc/01/17/76/457011776.db2.gz GILQOAWEPQGNOZ-XHSDSOJGSA-N 1 2 334.464 3.159 20 30 EGEDLO Cc1nc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)sc1SCC(N)=O ZINC000330250071 457013055 /nfs/dbraw/zinc/01/30/55/457013055.db2.gz GRAPTDFCCGSWLI-SNVBAGLBSA-N 1 2 340.474 3.294 20 30 EGEDLO Cc1nc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)sc1SCC(N)=O ZINC000330250071 457013059 /nfs/dbraw/zinc/01/30/59/457013059.db2.gz GRAPTDFCCGSWLI-SNVBAGLBSA-N 1 2 340.474 3.294 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000362635904 457018110 /nfs/dbraw/zinc/01/81/10/457018110.db2.gz BGOOXXAYSUWEIQ-HXUWFJFHSA-N 1 2 349.434 3.122 20 30 EGEDLO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330327448 457028232 /nfs/dbraw/zinc/02/82/32/457028232.db2.gz KXZTUUVYYBUTLH-CVYDXHPNSA-N 1 2 348.491 3.359 20 30 EGEDLO C=CC1CCN(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)CC1 ZINC000349772931 457046400 /nfs/dbraw/zinc/04/64/00/457046400.db2.gz BWDNFOAIBCUHJM-QGZVFWFLSA-N 1 2 342.418 3.256 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000359360315 457076648 /nfs/dbraw/zinc/07/66/48/457076648.db2.gz MIJFFZUARYIUGG-GFCCVEGCSA-N 1 2 344.440 3.240 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000339377712 457077053 /nfs/dbraw/zinc/07/70/53/457077053.db2.gz KGSIEPZSICZZBG-APWZRJJASA-N 1 2 338.382 3.401 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000339377712 457077060 /nfs/dbraw/zinc/07/70/60/457077060.db2.gz KGSIEPZSICZZBG-APWZRJJASA-N 1 2 338.382 3.401 20 30 EGEDLO CC[C@H](CCO)NC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000330782535 457085410 /nfs/dbraw/zinc/08/54/10/457085410.db2.gz PPUVONANZLQTLG-LSDHHAIUSA-N 1 2 334.464 3.256 20 30 EGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC(C)(C)OC[C@@H]2C)c1C ZINC000331117907 457135134 /nfs/dbraw/zinc/13/51/34/457135134.db2.gz OIJBROANIPMLEQ-INIZCTEOSA-N 1 2 343.471 3.049 20 30 EGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC(C)(C)OC[C@@H]2C)c1C ZINC000331117907 457135139 /nfs/dbraw/zinc/13/51/39/457135139.db2.gz OIJBROANIPMLEQ-INIZCTEOSA-N 1 2 343.471 3.049 20 30 EGEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000331359657 457172372 /nfs/dbraw/zinc/17/23/72/457172372.db2.gz WUUPLVZIJBVNFO-SCRDCRAPSA-N 1 2 335.835 3.266 20 30 EGEDLO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000347058757 457208506 /nfs/dbraw/zinc/20/85/06/457208506.db2.gz QPQMQUKCJDJPTP-HZPDHXFCSA-N 1 2 337.261 3.446 20 30 EGEDLO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000347058757 457208510 /nfs/dbraw/zinc/20/85/10/457208510.db2.gz QPQMQUKCJDJPTP-HZPDHXFCSA-N 1 2 337.261 3.446 20 30 EGEDLO C=CCC[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)c1ccccc1 ZINC000342283642 457211823 /nfs/dbraw/zinc/21/18/23/457211823.db2.gz KNNRPCHMUIJYDG-SXLOBPIMSA-N 1 2 342.483 3.058 20 30 EGEDLO C[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(C#N)c1 ZINC000360038186 457217861 /nfs/dbraw/zinc/21/78/61/457217861.db2.gz PMWPAAVAQVRODU-AWEZNQCLSA-N 1 2 348.381 3.303 20 30 EGEDLO N#CCc1ccc(C[N@H+]2CCOC[C@@H]2CC(=O)c2ccccc2)cc1 ZINC000351876193 457321873 /nfs/dbraw/zinc/32/18/73/457321873.db2.gz GREQMEZACQACFS-FQEVSTJZSA-N 1 2 334.419 3.226 20 30 EGEDLO N#CCc1ccc(C[N@@H+]2CCOC[C@@H]2CC(=O)c2ccccc2)cc1 ZINC000351876193 457321875 /nfs/dbraw/zinc/32/18/75/457321875.db2.gz GREQMEZACQACFS-FQEVSTJZSA-N 1 2 334.419 3.226 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(CC#N)cc1)c1ccc(F)cc1 ZINC000340045660 457323258 /nfs/dbraw/zinc/32/32/58/457323258.db2.gz HDFIOYGYGQTJDH-GOSISDBHSA-N 1 2 348.381 3.145 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1C ZINC000351966956 457325431 /nfs/dbraw/zinc/32/54/31/457325431.db2.gz GWGROIIDILIVHV-OALUTQOASA-N 1 2 330.472 3.363 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1C ZINC000351966956 457325437 /nfs/dbraw/zinc/32/54/37/457325437.db2.gz GWGROIIDILIVHV-OALUTQOASA-N 1 2 330.472 3.363 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000352019038 457333156 /nfs/dbraw/zinc/33/31/56/457333156.db2.gz CNEOEDCHKZOQJL-UHFFFAOYSA-N 1 2 332.394 3.255 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000352019038 457333163 /nfs/dbraw/zinc/33/31/63/457333163.db2.gz CNEOEDCHKZOQJL-UHFFFAOYSA-N 1 2 332.394 3.255 20 30 EGEDLO COC(=O)c1cnc([C@H](C)[NH2+]CC#Cc2ccc(Cl)cc2)s1 ZINC000425493718 457576275 /nfs/dbraw/zinc/57/62/75/457576275.db2.gz WGVAMWMPTKFVNQ-NSHDSACASA-N 1 2 334.828 3.285 20 30 EGEDLO N#Cc1csc(C[N@H+]2CCC[C@@H](OCc3ccccc3F)C2)n1 ZINC000356401522 457607336 /nfs/dbraw/zinc/60/73/36/457607336.db2.gz WUICVVQVZKEKDV-OAHLLOKOSA-N 1 2 331.416 3.335 20 30 EGEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H](OCc3ccccc3F)C2)n1 ZINC000356401522 457607341 /nfs/dbraw/zinc/60/73/41/457607341.db2.gz WUICVVQVZKEKDV-OAHLLOKOSA-N 1 2 331.416 3.335 20 30 EGEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000370603380 457681020 /nfs/dbraw/zinc/68/10/20/457681020.db2.gz USLCKWLKKPJNCZ-AWEZNQCLSA-N 1 2 347.340 3.016 20 30 EGEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000370603380 457681022 /nfs/dbraw/zinc/68/10/22/457681022.db2.gz USLCKWLKKPJNCZ-AWEZNQCLSA-N 1 2 347.340 3.016 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364898295 457714853 /nfs/dbraw/zinc/71/48/53/457714853.db2.gz VOBFRNYYQBRDQP-KGLIPLIRSA-N 1 2 340.452 3.478 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364898294 457714939 /nfs/dbraw/zinc/71/49/39/457714939.db2.gz VOBFRNYYQBRDQP-KBPBESRZSA-N 1 2 340.452 3.478 20 30 EGEDLO C=CCc1cc(CNc2ccc(-c3cncnc3)c[nH+]2)cc(OC)c1O ZINC000366867192 457904974 /nfs/dbraw/zinc/90/49/74/457904974.db2.gz KDDIJLXPJMRGDG-UHFFFAOYSA-N 1 2 348.406 3.015 20 30 EGEDLO C[C@H](Nc1nc2c(cc1C#N)CCCC2(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000428100331 458080409 /nfs/dbraw/zinc/08/04/09/458080409.db2.gz GKTHDVOCYGUCBU-GJZGRUSLSA-N 1 2 342.487 3.088 20 30 EGEDLO CC(C)N(C(=O)C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C(C)C ZINC000362436426 458174528 /nfs/dbraw/zinc/17/45/28/458174528.db2.gz GERTVEWIAFGXTI-RBUKOAKNSA-N 1 2 327.472 3.404 20 30 EGEDLO CC(C)N(C(=O)C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C(C)C ZINC000362436426 458174536 /nfs/dbraw/zinc/17/45/36/458174536.db2.gz GERTVEWIAFGXTI-RBUKOAKNSA-N 1 2 327.472 3.404 20 30 EGEDLO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1C[C@@H](C#N)CCC#N ZINC000428991705 458249022 /nfs/dbraw/zinc/24/90/22/458249022.db2.gz ITRDLXRHAMETIP-UONOGXRCSA-N 1 2 334.826 3.433 20 30 EGEDLO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1C[C@@H](C#N)CCC#N ZINC000428991705 458249026 /nfs/dbraw/zinc/24/90/26/458249026.db2.gz ITRDLXRHAMETIP-UONOGXRCSA-N 1 2 334.826 3.433 20 30 EGEDLO CC(=O)Oc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000372344193 458282422 /nfs/dbraw/zinc/28/24/22/458282422.db2.gz FZEDKGHCDMUIJX-HXUWFJFHSA-N 1 2 336.391 3.057 20 30 EGEDLO CC(=O)Oc1ccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000372344193 458282430 /nfs/dbraw/zinc/28/24/30/458282430.db2.gz FZEDKGHCDMUIJX-HXUWFJFHSA-N 1 2 336.391 3.057 20 30 EGEDLO CC(=O)Nc1cccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000372346457 458284669 /nfs/dbraw/zinc/28/46/69/458284669.db2.gz NRINPPFJDJAWOQ-FQEVSTJZSA-N 1 2 335.407 3.090 20 30 EGEDLO CC(=O)Nc1cccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000372346457 458284674 /nfs/dbraw/zinc/28/46/74/458284674.db2.gz NRINPPFJDJAWOQ-FQEVSTJZSA-N 1 2 335.407 3.090 20 30 EGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000412838191 458286556 /nfs/dbraw/zinc/28/65/56/458286556.db2.gz JLFSTINWRSEHMI-QGZVFWFLSA-N 1 2 336.426 3.267 20 30 EGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000413830807 458308943 /nfs/dbraw/zinc/30/89/43/458308943.db2.gz YJRQASRTQGJXEO-QZTJIDSGSA-N 1 2 338.455 3.486 20 30 EGEDLO CN(C)c1[nH]c2ccc(NC(=O)[C@@H](C#N)CCc3ccccc3)cc2[nH+]1 ZINC000416228851 458341564 /nfs/dbraw/zinc/34/15/64/458341564.db2.gz ZJPVINLNFOHGIB-OAHLLOKOSA-N 1 2 347.422 3.340 20 30 EGEDLO CCOc1cc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)ccc1O ZINC000459362272 458343715 /nfs/dbraw/zinc/34/37/15/458343715.db2.gz PTGZOOBILYGZLI-HXUWFJFHSA-N 1 2 338.407 3.236 20 30 EGEDLO CCOc1cc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)ccc1O ZINC000459362272 458343718 /nfs/dbraw/zinc/34/37/18/458343718.db2.gz PTGZOOBILYGZLI-HXUWFJFHSA-N 1 2 338.407 3.236 20 30 EGEDLO Cc1cn2c([nH+]1)[C@@H](CNc1nc(C(F)(F)F)ccc1C#N)CCC2 ZINC000376635887 458358084 /nfs/dbraw/zinc/35/80/84/458358084.db2.gz BHODMMFDQHYMGN-GFCCVEGCSA-N 1 2 335.333 3.467 20 30 EGEDLO C=CCC1(C(=O)NCc2ccc[nH+]c2N2CCOCC2)CCCCC1 ZINC000448653554 458404286 /nfs/dbraw/zinc/40/42/86/458404286.db2.gz DABJJZAOZCTDOT-UHFFFAOYSA-N 1 2 343.471 3.061 20 30 EGEDLO N#CC1(F)CC[NH+](Cc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000449316128 458422780 /nfs/dbraw/zinc/42/27/80/458422780.db2.gz LKYBBRBHUDHGCW-UHFFFAOYSA-N 1 2 337.826 3.004 20 30 EGEDLO C=CCC[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc(F)cc1)C(=O)OCC ZINC000449656568 458428640 /nfs/dbraw/zinc/42/86/40/458428640.db2.gz LLHPRKKJVMTTHJ-QGZVFWFLSA-N 1 2 345.418 3.214 20 30 EGEDLO C=CCC[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)OCC ZINC000449656448 458428822 /nfs/dbraw/zinc/42/88/22/458428822.db2.gz KXUIDXLKPYXWIB-MRXNPFEDSA-N 1 2 331.391 3.203 20 30 EGEDLO C=C(CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000377018835 458441901 /nfs/dbraw/zinc/44/19/01/458441901.db2.gz HRFKWKWURIDWGK-QGZVFWFLSA-N 1 2 338.455 3.098 20 30 EGEDLO CC(C)(C)C1CCC(C#N)(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000377140725 458473227 /nfs/dbraw/zinc/47/32/27/458473227.db2.gz NGWIEWOUMWCNTP-XVTSOASTSA-N 1 2 328.460 3.060 20 30 EGEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3Cc4cccc(F)c4C3)C2=O)cc1 ZINC000459768995 458473686 /nfs/dbraw/zinc/47/36/86/458473686.db2.gz YUUKFYFCSGKECP-LJQANCHMSA-N 1 2 335.382 3.209 20 30 EGEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3Cc4cccc(F)c4C3)C2=O)cc1 ZINC000459768995 458473690 /nfs/dbraw/zinc/47/36/90/458473690.db2.gz YUUKFYFCSGKECP-LJQANCHMSA-N 1 2 335.382 3.209 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)Cc1cccc(C)n1 ZINC000437896646 458508258 /nfs/dbraw/zinc/50/82/58/458508258.db2.gz AWHFPVLWOPLQQP-MRXNPFEDSA-N 1 2 343.496 3.487 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C)n1 ZINC000437896646 458508262 /nfs/dbraw/zinc/50/82/62/458508262.db2.gz AWHFPVLWOPLQQP-MRXNPFEDSA-N 1 2 343.496 3.487 20 30 EGEDLO C=CC[N@H+](Cc1ccn(C)c1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000438279390 458554733 /nfs/dbraw/zinc/55/47/33/458554733.db2.gz IMSPJEPLDOBCNJ-IBGZPJMESA-N 1 2 326.440 3.188 20 30 EGEDLO C=CC[N@@H+](Cc1ccn(C)c1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000438279390 458554740 /nfs/dbraw/zinc/55/47/40/458554740.db2.gz IMSPJEPLDOBCNJ-IBGZPJMESA-N 1 2 326.440 3.188 20 30 EGEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000454303381 458557838 /nfs/dbraw/zinc/55/78/38/458557838.db2.gz OZGPCSRCXLJOIM-UHFFFAOYSA-N 1 2 332.407 3.091 20 30 EGEDLO C=CC(C)(C)CNC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000455375546 458596686 /nfs/dbraw/zinc/59/66/86/458596686.db2.gz ZKVXPCQMHOFZIR-HNNXBMFYSA-N 1 2 330.407 3.160 20 30 EGEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccccc2OC(F)(F)F)nn1 ZINC000424291659 458606129 /nfs/dbraw/zinc/60/61/29/458606129.db2.gz DZZQCPKHCKDERP-LLVKDONJSA-N 1 2 326.322 3.214 20 30 EGEDLO C=C[C@H]1CCCCN1C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000494178449 458635865 /nfs/dbraw/zinc/63/58/65/458635865.db2.gz FPMXJRIHBKILRP-DLBZAZTESA-N 1 2 342.418 3.399 20 30 EGEDLO C[C@@H](c1ncc(Br)cn1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000438998425 458639262 /nfs/dbraw/zinc/63/92/62/458639262.db2.gz SXOGRRCRIFUDJW-NSHDSACASA-N 1 2 331.217 3.304 20 30 EGEDLO C[C@@H](c1ncc(Br)cn1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000438998425 458639270 /nfs/dbraw/zinc/63/92/70/458639270.db2.gz SXOGRRCRIFUDJW-NSHDSACASA-N 1 2 331.217 3.304 20 30 EGEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000439961535 458769671 /nfs/dbraw/zinc/76/96/71/458769671.db2.gz NRDOCENEXIYNAR-GOSISDBHSA-N 1 2 336.439 3.002 20 30 EGEDLO Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000464826085 458780622 /nfs/dbraw/zinc/78/06/22/458780622.db2.gz YROILZRVNQWLKW-NHCUHLMSSA-N 1 2 347.462 3.383 20 30 EGEDLO Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000464826085 458780626 /nfs/dbraw/zinc/78/06/26/458780626.db2.gz YROILZRVNQWLKW-NHCUHLMSSA-N 1 2 347.462 3.383 20 30 EGEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000513959811 458796077 /nfs/dbraw/zinc/79/60/77/458796077.db2.gz ULWNMTFOQDXRIH-DLBZAZTESA-N 1 2 340.423 3.310 20 30 EGEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000513959811 458796086 /nfs/dbraw/zinc/79/60/86/458796086.db2.gz ULWNMTFOQDXRIH-DLBZAZTESA-N 1 2 340.423 3.310 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3ccccn3)o2)c1 ZINC000530963179 458852319 /nfs/dbraw/zinc/85/23/19/458852319.db2.gz WWPWEMSHJOONKH-QGZVFWFLSA-N 1 2 331.379 3.340 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3ccccn3)o2)c1 ZINC000530963179 458852322 /nfs/dbraw/zinc/85/23/22/458852322.db2.gz WWPWEMSHJOONKH-QGZVFWFLSA-N 1 2 331.379 3.340 20 30 EGEDLO CC#CC[N@H+](C)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000550129160 458884756 /nfs/dbraw/zinc/88/47/56/458884756.db2.gz VOXKJUDYFCIAEL-FQEVSTJZSA-N 1 2 338.476 3.177 20 30 EGEDLO CC#CC[N@@H+](C)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000550129160 458884757 /nfs/dbraw/zinc/88/47/57/458884757.db2.gz VOXKJUDYFCIAEL-FQEVSTJZSA-N 1 2 338.476 3.177 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495656411 458909653 /nfs/dbraw/zinc/90/96/53/458909653.db2.gz JDPVCRUHIIQMJL-CQSZACIVSA-N 1 2 333.270 3.132 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495656411 458909657 /nfs/dbraw/zinc/90/96/57/458909657.db2.gz JDPVCRUHIIQMJL-CQSZACIVSA-N 1 2 333.270 3.132 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](CC(=O)Nc1cccc(CC#N)c1)C(F)(F)F ZINC000519605225 458972934 /nfs/dbraw/zinc/97/29/34/458972934.db2.gz FRUYORKCCWYENH-CYBMUJFWSA-N 1 2 336.317 3.161 20 30 EGEDLO CC(C)Oc1ccc(NC(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)cc1C#N ZINC000556577790 458973863 /nfs/dbraw/zinc/97/38/63/458973863.db2.gz PMFWHNWJYUOICN-DOMZBBRYSA-N 1 2 339.399 3.369 20 30 EGEDLO N#CCCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000577219083 458999857 /nfs/dbraw/zinc/99/98/57/458999857.db2.gz RZUVOXYBSBLRDK-UHFFFAOYSA-N 1 2 330.819 3.166 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)Nc2ccc(CC#N)cc2Cl)c2[nH+]ccn21 ZINC000577344345 459019621 /nfs/dbraw/zinc/01/96/21/459019621.db2.gz WTCNUALXAPFQMR-IINYFYTJSA-N 1 2 329.791 3.430 20 30 EGEDLO CC1CC(C#N)(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)C1 ZINC000532080944 459027720 /nfs/dbraw/zinc/02/77/20/459027720.db2.gz NUMRFFWMHIWBEY-UHFFFAOYSA-N 1 2 336.439 3.072 20 30 EGEDLO Cc1cc(N2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000496105193 459069421 /nfs/dbraw/zinc/06/94/21/459069421.db2.gz KVWYQAKYSRNYNW-SFHVURJKSA-N 1 2 330.432 3.003 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)C1CC1 ZINC000557836268 459111920 /nfs/dbraw/zinc/11/19/20/459111920.db2.gz HVKPGAOUFRIRIB-SFHVURJKSA-N 1 2 349.438 3.117 20 30 EGEDLO C[C@@H](CC#N)[NH2+]Cc1cc(Cl)ccc1I ZINC000594712282 459137725 /nfs/dbraw/zinc/13/77/25/459137725.db2.gz UNESOFFMRAPMQG-QMMMGPOBSA-N 1 2 334.588 3.336 20 30 EGEDLO N#Cc1ccc(C(F)(F)F)nc1NCC1CC[NH+](CC(F)F)CC1 ZINC000590567425 459150199 /nfs/dbraw/zinc/15/01/99/459150199.db2.gz CYONEVXTEGFEIG-UHFFFAOYSA-N 1 2 348.319 3.361 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000567807864 459170898 /nfs/dbraw/zinc/17/08/98/459170898.db2.gz NOLKNKSLFJFXJI-AWEZNQCLSA-N 1 2 347.418 3.138 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000567807864 459170900 /nfs/dbraw/zinc/17/09/00/459170900.db2.gz NOLKNKSLFJFXJI-AWEZNQCLSA-N 1 2 347.418 3.138 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc2nc(-c3ccccc3)oc2c1 ZINC000579839164 459252961 /nfs/dbraw/zinc/25/29/61/459252961.db2.gz NDGKIXHILSOIRP-HXUWFJFHSA-N 1 2 348.406 3.068 20 30 EGEDLO N#CCC[N@@H+](CC[C@H]1Sc2ccccc2NC1=O)Cc1ccco1 ZINC000595335013 459279783 /nfs/dbraw/zinc/27/97/83/459279783.db2.gz ULWXKZXBDAKRIJ-QGZVFWFLSA-N 1 2 341.436 3.498 20 30 EGEDLO N#CCC[N@H+](CC[C@H]1Sc2ccccc2NC1=O)Cc1ccco1 ZINC000595335013 459279785 /nfs/dbraw/zinc/27/97/85/459279785.db2.gz ULWXKZXBDAKRIJ-QGZVFWFLSA-N 1 2 341.436 3.498 20 30 EGEDLO CC[N@H+](CCCNC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000595432864 459299927 /nfs/dbraw/zinc/29/99/27/459299927.db2.gz MIIWCNMPYBEGGC-QGZVFWFLSA-N 1 2 328.460 3.238 20 30 EGEDLO CC[N@@H+](CCCNC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000595432864 459299929 /nfs/dbraw/zinc/29/99/29/459299929.db2.gz MIIWCNMPYBEGGC-QGZVFWFLSA-N 1 2 328.460 3.238 20 30 EGEDLO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1cccnc1 ZINC000595498120 459324032 /nfs/dbraw/zinc/32/40/32/459324032.db2.gz BYAFZAJKCRMDPY-KRWDZBQOSA-N 1 2 329.831 3.456 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483098794 459339922 /nfs/dbraw/zinc/33/99/22/459339922.db2.gz CISDPHOHKATNHB-PKOBYXMFSA-N 1 2 338.382 3.401 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483098794 459339925 /nfs/dbraw/zinc/33/99/25/459339925.db2.gz CISDPHOHKATNHB-PKOBYXMFSA-N 1 2 338.382 3.401 20 30 EGEDLO CC1CC(C#N)(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000535287377 459354559 /nfs/dbraw/zinc/35/45/59/459354559.db2.gz FOKFVHXPMAITPH-UHFFFAOYSA-N 1 2 332.407 3.480 20 30 EGEDLO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595620416 459371539 /nfs/dbraw/zinc/37/15/39/459371539.db2.gz NIVFAWIILGXWDI-STQMWFEESA-N 1 2 328.441 3.249 20 30 EGEDLO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595620416 459371542 /nfs/dbraw/zinc/37/15/42/459371542.db2.gz NIVFAWIILGXWDI-STQMWFEESA-N 1 2 328.441 3.249 20 30 EGEDLO C[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)[C@@H]1CCO ZINC000595697577 459401909 /nfs/dbraw/zinc/40/19/09/459401909.db2.gz LTXUIMFETBTLKA-MLGOLLRUSA-N 1 2 337.261 3.304 20 30 EGEDLO C[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)[C@@H]1CCO ZINC000595697577 459401913 /nfs/dbraw/zinc/40/19/13/459401913.db2.gz LTXUIMFETBTLKA-MLGOLLRUSA-N 1 2 337.261 3.304 20 30 EGEDLO CC1(C)c2ccccc2CC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000560971755 459409060 /nfs/dbraw/zinc/40/90/60/459409060.db2.gz VGKCLQBEWIRSHD-UHFFFAOYSA-N 1 2 325.437 3.352 20 30 EGEDLO CC1(C)c2ccccc2CC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000560971755 459409064 /nfs/dbraw/zinc/40/90/64/459409064.db2.gz VGKCLQBEWIRSHD-UHFFFAOYSA-N 1 2 325.437 3.352 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000541701076 459480633 /nfs/dbraw/zinc/48/06/33/459480633.db2.gz JTDZQGBVBJXKGP-QUCCMNQESA-N 1 2 344.499 3.133 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000541701076 459480636 /nfs/dbraw/zinc/48/06/36/459480636.db2.gz JTDZQGBVBJXKGP-QUCCMNQESA-N 1 2 344.499 3.133 20 30 EGEDLO C[C@H](c1cccc(NC(=O)c2ccc(C#N)s2)c1)[NH+]1CCOCC1 ZINC000487279812 459528750 /nfs/dbraw/zinc/52/87/50/459528750.db2.gz OZJLCFFFFNKWKH-CYBMUJFWSA-N 1 2 341.436 3.265 20 30 EGEDLO Cc1nc(N2CC[NH+]([C@@H](C)c3ccc(F)cc3F)CC2)ccc1C#N ZINC000488058384 459538237 /nfs/dbraw/zinc/53/82/37/459538237.db2.gz QETBQAUYOGSUFG-AWEZNQCLSA-N 1 2 342.393 3.423 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CCN(c3[nH+]ccc4ccc(F)cc43)C2)nc1 ZINC000488998449 459559169 /nfs/dbraw/zinc/55/91/69/459559169.db2.gz WTTRKNAETPICMV-MRXNPFEDSA-N 1 2 334.354 3.298 20 30 EGEDLO CCOc1ccc(N(CCC#N)C(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000570806934 459560762 /nfs/dbraw/zinc/56/07/62/459560762.db2.gz PGDLJHKJDLXKJS-HNNXBMFYSA-N 1 2 326.400 3.180 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000489852060 459571628 /nfs/dbraw/zinc/57/16/28/459571628.db2.gz ZGBGZICDTPYLPT-MJGOQNOKSA-N 1 2 338.382 3.401 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000489852060 459571632 /nfs/dbraw/zinc/57/16/32/459571632.db2.gz ZGBGZICDTPYLPT-MJGOQNOKSA-N 1 2 338.382 3.401 20 30 EGEDLO CS[C@H]1CCN(c2cc(C)[nH+]c(N3CC[C@H](SC)C3)c2C#N)C1 ZINC000596250031 459574840 /nfs/dbraw/zinc/57/48/40/459574840.db2.gz MBZNZHKGALWEPY-KBPBESRZSA-N 1 2 348.541 3.145 20 30 EGEDLO CCCC[C@H](CC)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000490651332 459582915 /nfs/dbraw/zinc/58/29/15/459582915.db2.gz SQEDCOXYYQFSFP-IBGZPJMESA-N 1 2 327.472 3.419 20 30 EGEDLO C#C[C@H](NC(=O)NCCCCn1cc[nH+]c1)c1ccc(Cl)cc1F ZINC000491147446 459600436 /nfs/dbraw/zinc/60/04/36/459600436.db2.gz RPKOHPAAURZHPO-INIZCTEOSA-N 1 2 348.809 3.130 20 30 EGEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc2oc(CC(C)(C)C)nc2c1 ZINC000572992883 459607844 /nfs/dbraw/zinc/60/78/44/459607844.db2.gz DPQKNFNPBRROSD-HNNXBMFYSA-N 1 2 344.459 3.035 20 30 EGEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc2oc(CC(C)(C)C)nc2c1 ZINC000572992883 459607850 /nfs/dbraw/zinc/60/78/50/459607850.db2.gz DPQKNFNPBRROSD-HNNXBMFYSA-N 1 2 344.459 3.035 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)s1)c1ccc(Cl)cc1 ZINC000491304721 459614839 /nfs/dbraw/zinc/61/48/39/459614839.db2.gz GSUMQPHNSIJFCX-MRXNPFEDSA-N 1 2 347.871 3.097 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000527298564 459624650 /nfs/dbraw/zinc/62/46/50/459624650.db2.gz FHQQNTYIQNISJG-ZDUSSCGKSA-N 1 2 345.393 3.005 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000527298564 459624659 /nfs/dbraw/zinc/62/46/59/459624659.db2.gz FHQQNTYIQNISJG-ZDUSSCGKSA-N 1 2 345.393 3.005 20 30 EGEDLO C=CCN1CC[C@@H]([NH2+]C2(c3c(Cl)cccc3Cl)CC2)C1=O ZINC000499607650 459642011 /nfs/dbraw/zinc/64/20/11/459642011.db2.gz RWPSKZOLANZUCT-CYBMUJFWSA-N 1 2 325.239 3.359 20 30 EGEDLO C#C[C@H](C)N(C)C(=O)c1ccccc1OCc1cn2cc(C)ccc2[nH+]1 ZINC000491731753 459662127 /nfs/dbraw/zinc/66/21/27/459662127.db2.gz JBXVHRCFYXVNIS-INIZCTEOSA-N 1 2 347.418 3.315 20 30 EGEDLO Cc1c(CSC(C)C)cccc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000563005666 459693133 /nfs/dbraw/zinc/69/31/33/459693133.db2.gz UHURBHFYNOGGSO-KRWDZBQOSA-N 1 2 335.517 3.255 20 30 EGEDLO Cc1c(CSC(C)C)cccc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000563005666 459693134 /nfs/dbraw/zinc/69/31/34/459693134.db2.gz UHURBHFYNOGGSO-KRWDZBQOSA-N 1 2 335.517 3.255 20 30 EGEDLO CCC(C#N)(CC)C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000527683620 459698611 /nfs/dbraw/zinc/69/86/11/459698611.db2.gz KEDOZDGYECBMIX-UHFFFAOYSA-N 1 2 333.863 3.314 20 30 EGEDLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](Cc2cnc3c(C#N)cnn3c2)C2CC2)o1 ZINC000563154108 459724813 /nfs/dbraw/zinc/72/48/13/459724813.db2.gz GNFVXRJCMJPNJT-FZKQIMNGSA-N 1 2 347.422 3.482 20 30 EGEDLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](Cc2cnc3c(C#N)cnn3c2)C2CC2)o1 ZINC000563154108 459724820 /nfs/dbraw/zinc/72/48/20/459724820.db2.gz GNFVXRJCMJPNJT-FZKQIMNGSA-N 1 2 347.422 3.482 20 30 EGEDLO Cc1ccc(Oc2ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc2)cc1 ZINC000565770457 459787975 /nfs/dbraw/zinc/78/79/75/459787975.db2.gz UYNJZAVUPUOBQY-SFHVURJKSA-N 1 2 339.439 3.406 20 30 EGEDLO Cc1ccc(Oc2ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc2)cc1 ZINC000565770457 459787977 /nfs/dbraw/zinc/78/79/77/459787977.db2.gz UYNJZAVUPUOBQY-SFHVURJKSA-N 1 2 339.439 3.406 20 30 EGEDLO N#CCCC1CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000566285726 459835856 /nfs/dbraw/zinc/83/58/56/459835856.db2.gz BFKSKOAAJONJNF-GOSISDBHSA-N 1 2 336.439 3.474 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000597175066 459862373 /nfs/dbraw/zinc/86/23/73/459862373.db2.gz VHBJJMKRMVVWNM-NSHDSACASA-N 1 2 325.315 3.322 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000597175066 459862378 /nfs/dbraw/zinc/86/23/78/459862378.db2.gz VHBJJMKRMVVWNM-NSHDSACASA-N 1 2 325.315 3.322 20 30 EGEDLO Cc1ccn2cc(CNC(=O)c3cc4ccccc4n3CC#N)[nH+]c2c1 ZINC000609166152 459918242 /nfs/dbraw/zinc/91/82/42/459918242.db2.gz HVDRRTODFZNHPF-UHFFFAOYSA-N 1 2 343.390 3.051 20 30 EGEDLO CCOc1ccc(C[NH+]2CCN(C(=O)CCCCCC#N)CC2)cc1 ZINC000588148293 459919034 /nfs/dbraw/zinc/91/90/34/459919034.db2.gz DBWWEMHRPOLDJN-UHFFFAOYSA-N 1 2 343.471 3.204 20 30 EGEDLO C[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602460688 459948436 /nfs/dbraw/zinc/94/84/36/459948436.db2.gz AQWNKBWZXOWOLQ-CQSZACIVSA-N 1 2 342.393 3.110 20 30 EGEDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2cccc(C#N)n2)CC1 ZINC000602460688 459948442 /nfs/dbraw/zinc/94/84/42/459948442.db2.gz AQWNKBWZXOWOLQ-CQSZACIVSA-N 1 2 342.393 3.110 20 30 EGEDLO N#CCn1c(C(=O)NCCCCNc2cccc[nH+]2)cc2ccccc21 ZINC000609459708 459965505 /nfs/dbraw/zinc/96/55/05/459965505.db2.gz NPRVVTDRBWKHEH-UHFFFAOYSA-N 1 2 347.422 3.182 20 30 EGEDLO C[C@@H](c1ccncc1)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000609487525 459969988 /nfs/dbraw/zinc/96/99/88/459969988.db2.gz HHXMSZLPJHFYTE-AWEZNQCLSA-N 1 2 349.394 3.084 20 30 EGEDLO CC(C)(C#N)C[C@H](O)C[NH+]1CC(Oc2cccc(Cl)c2Cl)C1 ZINC000598706436 460001521 /nfs/dbraw/zinc/00/15/21/460001521.db2.gz SHACXQGNOIXUQU-NSHDSACASA-N 1 2 343.254 3.357 20 30 EGEDLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000610003629 460048677 /nfs/dbraw/zinc/04/86/77/460048677.db2.gz CRSPGDIMTAZTQG-CQSZACIVSA-N 1 2 329.419 3.087 20 30 EGEDLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000610003629 460048680 /nfs/dbraw/zinc/04/86/80/460048680.db2.gz CRSPGDIMTAZTQG-CQSZACIVSA-N 1 2 329.419 3.087 20 30 EGEDLO N#CC[C@H](CC(=O)NCc1ccc[nH+]c1N1CCCC1)c1ccccc1 ZINC000597942563 460120903 /nfs/dbraw/zinc/12/09/03/460120903.db2.gz BLCWTCWFEDWKLW-GOSISDBHSA-N 1 2 348.450 3.386 20 30 EGEDLO C[C@H](c1nnc(-c2ccc3ccccc3c2)o1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000602850365 460158353 /nfs/dbraw/zinc/15/83/53/460158353.db2.gz GBCANBDQBINJTH-VLIAUNLRSA-N 1 2 348.406 3.301 20 30 EGEDLO C[C@H](c1nnc(-c2ccc3ccccc3c2)o1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000602850365 460158360 /nfs/dbraw/zinc/15/83/60/460158360.db2.gz GBCANBDQBINJTH-VLIAUNLRSA-N 1 2 348.406 3.301 20 30 EGEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000602862953 460163748 /nfs/dbraw/zinc/16/37/48/460163748.db2.gz LHJIDWZMGWKPPR-SFHVURJKSA-N 1 2 335.451 3.150 20 30 EGEDLO C[C@H](CC#N)[NH2+][C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000602862287 460163779 /nfs/dbraw/zinc/16/37/79/460163779.db2.gz JNQPTGNOINMMCB-GMTAPVOTSA-N 1 2 330.457 3.474 20 30 EGEDLO Cc1cccn2cc(CNC(=O)[C@H](C)Cc3ccc(C#N)cc3)[nH+]c12 ZINC000594285737 460180823 /nfs/dbraw/zinc/18/08/23/460180823.db2.gz AXRDLDYLLYNIKG-OAHLLOKOSA-N 1 2 332.407 3.009 20 30 EGEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000594286761 460181356 /nfs/dbraw/zinc/18/13/56/460181356.db2.gz VSENFNUXNMYQSJ-OTYXRUKQSA-N 1 2 337.210 3.276 20 30 EGEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000594286761 460181363 /nfs/dbraw/zinc/18/13/63/460181363.db2.gz VSENFNUXNMYQSJ-OTYXRUKQSA-N 1 2 337.210 3.276 20 30 EGEDLO Cc1cccc2[nH+]c(CNC(=O)N[C@H]3CCc4cc(C#N)ccc43)cn21 ZINC000618812502 460185794 /nfs/dbraw/zinc/18/57/94/460185794.db2.gz QPUYDHIJGQAMTQ-SFHVURJKSA-N 1 2 345.406 3.001 20 30 EGEDLO C=CCN(C(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000615001246 460260042 /nfs/dbraw/zinc/26/00/42/460260042.db2.gz CFZGKYORKBJFOC-UHFFFAOYSA-N 1 2 336.435 3.352 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000599515609 460266558 /nfs/dbraw/zinc/26/65/58/460266558.db2.gz UYMYHLFQJHYSJS-HNAYVOBHSA-N 1 2 349.425 3.199 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000599515609 460266562 /nfs/dbraw/zinc/26/65/62/460266562.db2.gz UYMYHLFQJHYSJS-HNAYVOBHSA-N 1 2 349.425 3.199 20 30 EGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599647513 460297769 /nfs/dbraw/zinc/29/77/69/460297769.db2.gz PUHJUTVVDOPQAC-MRXNPFEDSA-N 1 2 349.434 3.086 20 30 EGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCc2c(O)cccc2C1 ZINC000599647513 460297773 /nfs/dbraw/zinc/29/77/73/460297773.db2.gz PUHJUTVVDOPQAC-MRXNPFEDSA-N 1 2 349.434 3.086 20 30 EGEDLO COCC[N@H+](CCC#N)Cc1ccc(Br)c2cccnc12 ZINC000611518781 460385636 /nfs/dbraw/zinc/38/56/36/460385636.db2.gz OWWIJJLXTSIYOO-UHFFFAOYSA-N 1 2 348.244 3.359 20 30 EGEDLO COCC[N@@H+](CCC#N)Cc1ccc(Br)c2cccnc12 ZINC000611518781 460385643 /nfs/dbraw/zinc/38/56/43/460385643.db2.gz OWWIJJLXTSIYOO-UHFFFAOYSA-N 1 2 348.244 3.359 20 30 EGEDLO CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000615759737 460387126 /nfs/dbraw/zinc/38/71/26/460387126.db2.gz SYNWMCSBTNWBIF-DOTOQJQBSA-N 1 2 336.439 3.124 20 30 EGEDLO N#Cc1ccccc1C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611550605 460395871 /nfs/dbraw/zinc/39/58/71/460395871.db2.gz HWOASJNEBPLRGZ-FQEVSTJZSA-N 1 2 334.398 3.080 20 30 EGEDLO Cc1cc(N2CCCN(c3cccc(F)c3F)CC2)c(C#N)c[nH+]1 ZINC000601191065 460745989 /nfs/dbraw/zinc/74/59/89/460745989.db2.gz GQDMHPODPDCQEN-UHFFFAOYSA-N 1 2 328.366 3.257 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(F)c2ccccc12)[C@H]1CCS(=O)(=O)C1 ZINC000637962036 461157516 /nfs/dbraw/zinc/15/75/16/461157516.db2.gz GQZGZKMATGVMJO-HNNXBMFYSA-N 1 2 333.428 3.154 20 30 EGEDLO C=CC[N@H+](Cc1ccc(F)c2ccccc12)[C@H]1CCS(=O)(=O)C1 ZINC000637962036 461157528 /nfs/dbraw/zinc/15/75/28/461157528.db2.gz GQZGZKMATGVMJO-HNNXBMFYSA-N 1 2 333.428 3.154 20 30 EGEDLO C=CCC1(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)CCCC1 ZINC000663590772 461715786 /nfs/dbraw/zinc/71/57/86/461715786.db2.gz KWEHJFBEUACSAK-UHFFFAOYSA-N 1 2 328.460 3.370 20 30 EGEDLO C=CCCc1ccccc1NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000667028807 461919179 /nfs/dbraw/zinc/91/91/79/461919179.db2.gz GQLTTXCDSNWPSW-CVEARBPZSA-N 1 2 331.460 3.036 20 30 EGEDLO C=CCCc1ccccc1NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000667028807 461919184 /nfs/dbraw/zinc/91/91/84/461919184.db2.gz GQLTTXCDSNWPSW-CVEARBPZSA-N 1 2 331.460 3.036 20 30 EGEDLO C=CC[C@@H]1CCC[N@@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000661380677 462225687 /nfs/dbraw/zinc/22/56/87/462225687.db2.gz IKSZMDPJQXGHGK-DOMZBBRYSA-N 1 2 337.261 3.264 20 30 EGEDLO C=CC[C@@H]1CCC[N@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000661380677 462225693 /nfs/dbraw/zinc/22/56/93/462225693.db2.gz IKSZMDPJQXGHGK-DOMZBBRYSA-N 1 2 337.261 3.264 20 30 EGEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cccc(C#N)c3)CC2)c1 ZINC000171589553 533769478 /nfs/dbraw/zinc/76/94/78/533769478.db2.gz NCWSCTSFYDRFNM-INIZCTEOSA-N 1 2 349.434 3.086 20 30 EGEDLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)s1 ZINC000183958155 534537065 /nfs/dbraw/zinc/53/70/65/534537065.db2.gz DVDZYNMTJLZGCU-UHFFFAOYSA-N 1 2 348.859 3.440 20 30 EGEDLO COC(=O)C[C@](C)([NH2+]Cc1ccc(C#N)cc1Cl)c1ccccn1 ZINC000351825369 536360464 /nfs/dbraw/zinc/36/04/64/536360464.db2.gz YBIIAJOIDCRYIU-SFHVURJKSA-N 1 2 343.814 3.175 20 30 EGEDLO Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCc3c[nH+]c[nH]3)C2)c1 ZINC000329733003 547505865 /nfs/dbraw/zinc/50/58/65/547505865.db2.gz JHSGRSOEAXFCBV-HNNXBMFYSA-N 1 2 340.427 3.035 20 30 EGEDLO Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCc3c[nH]c[nH+]3)C2)c1 ZINC000329733003 547505867 /nfs/dbraw/zinc/50/58/67/547505867.db2.gz JHSGRSOEAXFCBV-HNNXBMFYSA-N 1 2 340.427 3.035 20 30 EGEDLO O=C(C[N@H+]1C[C@H]2CC[C@@H](C1)O2)NCc1ccccc1OC1CCCC1 ZINC000329811922 547508890 /nfs/dbraw/zinc/50/88/90/547508890.db2.gz CBSKIZUGCNUIDT-HDICACEKSA-N 1 2 344.455 3.328 20 30 EGEDLO O=C(C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NCc1ccccc1OC1CCCC1 ZINC000329811922 547508894 /nfs/dbraw/zinc/50/88/94/547508894.db2.gz CBSKIZUGCNUIDT-HDICACEKSA-N 1 2 344.455 3.328 20 30 EGEDLO CCC#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000677476671 549278168 /nfs/dbraw/zinc/27/81/68/549278168.db2.gz ACCSNKIVSRJNCU-CYBMUJFWSA-N 1 2 337.261 3.430 20 30 EGEDLO CCC#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000677476671 549278170 /nfs/dbraw/zinc/27/81/70/549278170.db2.gz ACCSNKIVSRJNCU-CYBMUJFWSA-N 1 2 337.261 3.430 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(Cl)ccc2OC(F)F)C1=O ZINC000684966499 550389825 /nfs/dbraw/zinc/38/98/25/550389825.db2.gz HSIRWHULVYTTHR-CYBMUJFWSA-N 1 2 344.789 3.160 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2OC(F)F)C1=O ZINC000684966499 550389826 /nfs/dbraw/zinc/38/98/26/550389826.db2.gz HSIRWHULVYTTHR-CYBMUJFWSA-N 1 2 344.789 3.160 20 30 EGEDLO C#CCC[NH+]1CCN(C(=O)[C@@H](SCc2ccccc2)C(C)C)CC1 ZINC000727383635 574664714 /nfs/dbraw/zinc/66/47/14/574664714.db2.gz PUQDPHTWYCEDRS-IBGZPJMESA-N 1 2 344.524 3.112 20 30 EGEDLO COc1cc(C=NNc2cc[nH+]c3ccccc23)ccc1OC(C)=O ZINC000730147697 574925312 /nfs/dbraw/zinc/92/53/12/574925312.db2.gz INDLEVZSTCBKFQ-UHFFFAOYSA-N 1 2 335.363 3.037 20 30 EGEDLO Fc1cc(F)c(N[NH+]=Cc2ccc(N3CCOCC3)s2)cc1F ZINC000734301803 575463661 /nfs/dbraw/zinc/46/36/61/575463661.db2.gz QCBVFTBAAWKJFX-UHFFFAOYSA-N 1 2 341.358 3.448 20 30 EGEDLO CC(C)C[N@H+](CCC#N)CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000739913922 576518761 /nfs/dbraw/zinc/51/87/61/576518761.db2.gz CONIFCHSIKDMGY-AWEZNQCLSA-N 1 2 337.414 3.356 20 30 EGEDLO CC(C)C[N@@H+](CCC#N)CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000739913922 576518762 /nfs/dbraw/zinc/51/87/62/576518762.db2.gz CONIFCHSIKDMGY-AWEZNQCLSA-N 1 2 337.414 3.356 20 30 EGEDLO CCCCCCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000740874860 576632426 /nfs/dbraw/zinc/63/24/26/576632426.db2.gz NLJIVXLJCSQXAB-UHFFFAOYSA-N 1 2 339.461 3.385 20 30 EGEDLO Cc1c(C(=O)/C=C/c2c[nH+]c3c(C)cccn23)nnn1-c1ccccc1 ZINC000741467154 576688545 /nfs/dbraw/zinc/68/85/45/576688545.db2.gz IBOKGLVOBYOLQW-ZHACJKMWSA-N 1 2 343.390 3.428 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2C[C@@H](C)C[C@@H]2c2ccccc2F)c1=S ZINC000743375167 576807426 /nfs/dbraw/zinc/80/74/26/576807426.db2.gz TWFBDNAANCXTSI-SWLSCSKDSA-N 1 2 333.436 3.175 20 30 EGEDLO C=CCn1nnn(C[N@H+]2C[C@@H](C)C[C@@H]2c2ccccc2F)c1=S ZINC000743375167 576807427 /nfs/dbraw/zinc/80/74/27/576807427.db2.gz TWFBDNAANCXTSI-SWLSCSKDSA-N 1 2 333.436 3.175 20 30 EGEDLO C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000744001310 576818743 /nfs/dbraw/zinc/81/87/43/576818743.db2.gz WDROFKSHPNOBNZ-UHFFFAOYSA-N 1 2 333.366 3.287 20 30 EGEDLO C#CC[N@@H+](CC(=O)Nc1ccc(OCC)cc1)Cc1ccc(F)cc1 ZINC000744211257 576823198 /nfs/dbraw/zinc/82/31/98/576823198.db2.gz HKUWPNIJEKTNFQ-UHFFFAOYSA-N 1 2 340.398 3.298 20 30 EGEDLO C#CC[N@H+](CC(=O)Nc1ccc(OCC)cc1)Cc1ccc(F)cc1 ZINC000744211257 576823199 /nfs/dbraw/zinc/82/31/99/576823199.db2.gz HKUWPNIJEKTNFQ-UHFFFAOYSA-N 1 2 340.398 3.298 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000056315994 1291817872 /nfs/dbraw/zinc/81/78/72/1291817872.db2.gz SLXXJLFYIWXYCZ-HNNXBMFYSA-N 1 2 333.407 3.186 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000056315994 1291817883 /nfs/dbraw/zinc/81/78/83/1291817883.db2.gz SLXXJLFYIWXYCZ-HNNXBMFYSA-N 1 2 333.407 3.186 20 30 EGEDLO C#CCC[C@H](O)CNc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000828081238 1292428035 /nfs/dbraw/zinc/42/80/35/1292428035.db2.gz REZMAKFBXMCRCX-JTQLQIEISA-N 1 2 337.192 3.323 20 30 EGEDLO C[N@@H+](Cc1cccc(C#N)c1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000103457741 1293006827 /nfs/dbraw/zinc/00/68/27/1293006827.db2.gz PADUUPGQPQWLJY-UHFFFAOYSA-N 1 2 347.378 3.419 20 30 EGEDLO C[N@H+](Cc1cccc(C#N)c1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000103457741 1293006835 /nfs/dbraw/zinc/00/68/35/1293006835.db2.gz PADUUPGQPQWLJY-UHFFFAOYSA-N 1 2 347.378 3.419 20 30 EGEDLO Cc1ccc(NC(=O)CO[NH+]=C(N)Cc2ccc(Cl)cc2)c(C)c1 ZINC000106067472 1293047535 /nfs/dbraw/zinc/04/75/35/1293047535.db2.gz QZNSXZWFWCFYJJ-UHFFFAOYSA-N 1 2 345.830 3.427 20 30 EGEDLO C=C(Br)CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000121528394 1293375473 /nfs/dbraw/zinc/37/54/73/1293375473.db2.gz LICUCWAYAVTOGW-OAHLLOKOSA-N 1 2 337.261 3.066 20 30 EGEDLO C=C(Br)CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000121528394 1293375479 /nfs/dbraw/zinc/37/54/79/1293375479.db2.gz LICUCWAYAVTOGW-OAHLLOKOSA-N 1 2 337.261 3.066 20 30 EGEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccc(N4CCOC4=O)cc3)n2c1 ZINC000151414752 1293923729 /nfs/dbraw/zinc/92/37/29/1293923729.db2.gz BVUSLZXUPXWCKV-BQYQJAHWSA-N 1 2 347.374 3.495 20 30 EGEDLO C=CCn1c(C)nn(C[N@H+]2CCCC[C@H](SCC)C2)c1=S ZINC000153099981 1293998770 /nfs/dbraw/zinc/99/87/70/1293998770.db2.gz JLZOJPOCNKBTES-AWEZNQCLSA-N 1 2 326.535 3.474 20 30 EGEDLO C=CCn1c(C)nn(C[N@@H+]2CCCC[C@H](SCC)C2)c1=S ZINC000153099981 1293998771 /nfs/dbraw/zinc/99/87/71/1293998771.db2.gz JLZOJPOCNKBTES-AWEZNQCLSA-N 1 2 326.535 3.474 20 30 EGEDLO Cc1ccc(-c2cnc(CO[NH+]=C(N)c3ccc4c(c3)CCO4)o2)cc1 ZINC000158184314 1294198124 /nfs/dbraw/zinc/19/81/24/1294198124.db2.gz ZOQBLEONYPWJQG-UHFFFAOYSA-N 1 2 349.390 3.422 20 30 EGEDLO N#Cc1ccc(SCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000171162709 1294397361 /nfs/dbraw/zinc/39/73/61/1294397361.db2.gz AIYFNNZUHSBQHZ-UHFFFAOYSA-N 1 2 348.431 3.152 20 30 EGEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c1=S ZINC000172915406 1294449172 /nfs/dbraw/zinc/44/91/72/1294449172.db2.gz ONBCXWSTZJAVJR-KRWDZBQOSA-N 1 2 328.485 3.431 20 30 EGEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c1=S ZINC000172915406 1294449174 /nfs/dbraw/zinc/44/91/74/1294449174.db2.gz ONBCXWSTZJAVJR-KRWDZBQOSA-N 1 2 328.485 3.431 20 30 EGEDLO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2sccc2C#N)CC1 ZINC000870125658 1295683991 /nfs/dbraw/zinc/68/39/91/1295683991.db2.gz OGYHDRWQMHMCAQ-AWEZNQCLSA-N 1 2 325.437 3.139 20 30 EGEDLO COc1ccccc1NC(=S)N[NH+]=Cc1ccc(N(C)C)cc1 ZINC000254771355 1296478172 /nfs/dbraw/zinc/47/81/72/1296478172.db2.gz WVEPCXOGAONBDH-UHFFFAOYSA-N 1 2 328.441 3.082 20 30 EGEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccc4c(c3)CCC(=O)N4C)n2c1 ZINC000255542183 1296544567 /nfs/dbraw/zinc/54/45/67/1296544567.db2.gz LUVICMSLGNLOAC-VURMDHGXSA-N 1 2 345.402 3.448 20 30 EGEDLO C=C(Br)C[NH2+][C@H](CCO)c1ccccc1Br ZINC000381622990 1297553637 /nfs/dbraw/zinc/55/36/37/1297553637.db2.gz FJYHIJVCGCTMLD-GFCCVEGCSA-N 1 2 349.066 3.371 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2CC[C@H](c3ccccc3)[C@@H](CC)C2)c1=S ZINC000746383828 1298577303 /nfs/dbraw/zinc/57/73/03/1298577303.db2.gz VXPYGEFYBFCSDD-RDJZCZTQSA-N 1 2 343.500 3.468 20 30 EGEDLO C=CCn1nnn(C[N@H+]2CC[C@H](c3ccccc3)[C@@H](CC)C2)c1=S ZINC000746383828 1298577312 /nfs/dbraw/zinc/57/73/12/1298577312.db2.gz VXPYGEFYBFCSDD-RDJZCZTQSA-N 1 2 343.500 3.468 20 30 EGEDLO COc1cc(NC(C)=O)ccc1C(=O)/C=C/c1c[nH+]c2ccccn12 ZINC000747705061 1298837598 /nfs/dbraw/zinc/83/75/98/1298837598.db2.gz KIYIVZXKSXKAJM-VQHVLOKHSA-N 1 2 335.363 3.197 20 30 EGEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3ccc(N4CCOCC4)cc3)n21 ZINC000748994166 1299122103 /nfs/dbraw/zinc/12/21/03/1299122103.db2.gz IOIRYLRNAIUDFM-MDZDMXLPSA-N 1 2 347.418 3.375 20 30 EGEDLO C[C@H]1C[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)Cc2ccccc21 ZINC000751469407 1299553905 /nfs/dbraw/zinc/55/39/05/1299553905.db2.gz YGPNPTOECGFXQO-SUMWQHHRSA-N 1 2 337.448 3.344 20 30 EGEDLO C[C@H]1C[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)Cc2ccccc21 ZINC000751469407 1299553911 /nfs/dbraw/zinc/55/39/11/1299553911.db2.gz YGPNPTOECGFXQO-SUMWQHHRSA-N 1 2 337.448 3.344 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+]2C[C@H](C)[C@H](C)C2)c1=S ZINC000751926736 1299655339 /nfs/dbraw/zinc/65/53/39/1299655339.db2.gz WGRAOCQUWWUVIJ-OKILXGFUSA-N 1 2 329.473 3.207 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1=S ZINC000751926736 1299655346 /nfs/dbraw/zinc/65/53/46/1299655346.db2.gz WGRAOCQUWWUVIJ-OKILXGFUSA-N 1 2 329.473 3.207 20 30 EGEDLO CN(CCC#N)c1ccc(C=[NH+]Nc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000757582833 1300688507 /nfs/dbraw/zinc/68/85/07/1300688507.db2.gz FWMJJZFUTBOLQY-UHFFFAOYSA-N 1 2 346.394 3.131 20 30 EGEDLO CCn1c(N[NH+]=C(C)c2ccc(N)cc2C)nc2ccccc2c1=O ZINC000758099683 1300785249 /nfs/dbraw/zinc/78/52/49/1300785249.db2.gz NQYINIUVZHVDEV-UHFFFAOYSA-N 1 2 335.411 3.143 20 30 EGEDLO C#CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)C1CC1 ZINC000763945080 1301985798 /nfs/dbraw/zinc/98/57/98/1301985798.db2.gz UZJGSQXHTJBTEW-UHFFFAOYSA-N 1 2 346.434 3.002 20 30 EGEDLO C#CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)C1CC1 ZINC000763945080 1301985804 /nfs/dbraw/zinc/98/58/04/1301985804.db2.gz UZJGSQXHTJBTEW-UHFFFAOYSA-N 1 2 346.434 3.002 20 30 EGEDLO C#CC[N@@H+](CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000763960378 1301989867 /nfs/dbraw/zinc/98/98/67/1301989867.db2.gz NQUJPHOGWYJEFX-LLVKDONJSA-N 1 2 325.239 3.268 20 30 EGEDLO C#CC[N@H+](CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000763960378 1301989872 /nfs/dbraw/zinc/98/98/72/1301989872.db2.gz NQUJPHOGWYJEFX-LLVKDONJSA-N 1 2 325.239 3.268 20 30 EGEDLO Cc1cc(-c2noc(CO[NH+]=C(N)c3ccc(F)cc3)n2)ccc1F ZINC000764546902 1302086510 /nfs/dbraw/zinc/08/65/10/1302086510.db2.gz GNUXNLBCOQDMMU-UHFFFAOYSA-N 1 2 344.321 3.160 20 30 EGEDLO N#Cc1c2c(cn(C[N@@H+]3CCC[C@@H]3/C=C/c3ccccc3)c1=O)CCC2 ZINC000766633192 1302494170 /nfs/dbraw/zinc/49/41/70/1302494170.db2.gz QAIHLJGWESXMOJ-TZZQJPOUSA-N 1 2 345.446 3.344 20 30 EGEDLO N#Cc1c2c(cn(C[N@H+]3CCC[C@@H]3/C=C/c3ccccc3)c1=O)CCC2 ZINC000766633192 1302494173 /nfs/dbraw/zinc/49/41/73/1302494173.db2.gz QAIHLJGWESXMOJ-TZZQJPOUSA-N 1 2 345.446 3.344 20 30 EGEDLO C=C(Br)C[N@@H+](CCCC(=O)OC)Cc1ccccc1 ZINC000768544858 1302930709 /nfs/dbraw/zinc/93/07/09/1302930709.db2.gz QSOPSMKZBATINM-UHFFFAOYSA-N 1 2 326.234 3.350 20 30 EGEDLO C=C(Br)C[N@H+](CCCC(=O)OC)Cc1ccccc1 ZINC000768544858 1302930718 /nfs/dbraw/zinc/93/07/18/1302930718.db2.gz QSOPSMKZBATINM-UHFFFAOYSA-N 1 2 326.234 3.350 20 30 EGEDLO C=CCNc1ncc(C(=O)Nc2ccccc2-n2cc[nH+]c2)s1 ZINC000770991711 1303343239 /nfs/dbraw/zinc/34/32/39/1303343239.db2.gz GVRCAWBIPDOSRB-UHFFFAOYSA-N 1 2 325.397 3.179 20 30 EGEDLO C=CC[N@@H+](CN1C(=O)C[C@@](CC)(c2ccc(C)cc2)C1=O)C1CC1 ZINC000771639673 1303426830 /nfs/dbraw/zinc/42/68/30/1303426830.db2.gz JCWDMHLSBSHBLI-FQEVSTJZSA-N 1 2 326.440 3.010 20 30 EGEDLO C=CC[N@H+](CN1C(=O)C[C@@](CC)(c2ccc(C)cc2)C1=O)C1CC1 ZINC000771639673 1303426832 /nfs/dbraw/zinc/42/68/32/1303426832.db2.gz JCWDMHLSBSHBLI-FQEVSTJZSA-N 1 2 326.440 3.010 20 30 EGEDLO C=CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000886761889 1303588577 /nfs/dbraw/zinc/58/85/77/1303588577.db2.gz MTCQJUPUCLGLBK-GFCCVEGCSA-N 1 2 340.826 3.209 20 30 EGEDLO C#C[C@H]([NH2+][C@H](C)c1nnn(-c2ccc(Cl)cc2)c1C)[C@@H]1CCCO1 ZINC000775572278 1303987510 /nfs/dbraw/zinc/98/75/10/1303987510.db2.gz QMLAWUUJVLJMGB-DQYPLSBCSA-N 1 2 344.846 3.061 20 30 EGEDLO C[C@@H]1[C@H](C)[N@H+](Cc2cc(C#N)cs2)CCN1C(=O)OC(C)(C)C ZINC000776692430 1304183163 /nfs/dbraw/zinc/18/31/63/1304183163.db2.gz DALVNKITDQEDAD-QWHCGFSZSA-N 1 2 335.473 3.449 20 30 EGEDLO C[C@@H]1[C@H](C)[N@@H+](Cc2cc(C#N)cs2)CCN1C(=O)OC(C)(C)C ZINC000776692430 1304183166 /nfs/dbraw/zinc/18/31/66/1304183166.db2.gz DALVNKITDQEDAD-QWHCGFSZSA-N 1 2 335.473 3.449 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000779164894 1304536278 /nfs/dbraw/zinc/53/62/78/1304536278.db2.gz VAQYPAPYYDNLPC-CQSZACIVSA-N 1 2 344.846 3.158 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000779164894 1304536285 /nfs/dbraw/zinc/53/62/85/1304536285.db2.gz VAQYPAPYYDNLPC-CQSZACIVSA-N 1 2 344.846 3.158 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000779164894 1304536291 /nfs/dbraw/zinc/53/62/91/1304536291.db2.gz VAQYPAPYYDNLPC-CQSZACIVSA-N 1 2 344.846 3.158 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000779164894 1304536296 /nfs/dbraw/zinc/53/62/96/1304536296.db2.gz VAQYPAPYYDNLPC-CQSZACIVSA-N 1 2 344.846 3.158 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000779158267 1304536985 /nfs/dbraw/zinc/53/69/85/1304536985.db2.gz OLXHJQPLZPSBDE-MRXNPFEDSA-N 1 2 335.831 3.079 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000779158267 1304536989 /nfs/dbraw/zinc/53/69/89/1304536989.db2.gz OLXHJQPLZPSBDE-MRXNPFEDSA-N 1 2 335.831 3.079 20 30 EGEDLO C#CCCCCCc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000779739612 1304598410 /nfs/dbraw/zinc/59/84/10/1304598410.db2.gz BFUXYOUXLDTGAZ-UHFFFAOYSA-N 1 2 339.439 3.305 20 30 EGEDLO CCC[C@@H]1CCc2c(sc(=O)n2C[NH+]2CCC(CC#N)CC2)C1 ZINC000781572779 1304843989 /nfs/dbraw/zinc/84/39/89/1304843989.db2.gz VWCFJZJUDHHLMG-OAHLLOKOSA-N 1 2 333.501 3.398 20 30 EGEDLO N#Cc1cc([N+](=O)[O-])ccc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000782977987 1305033304 /nfs/dbraw/zinc/03/33/04/1305033304.db2.gz HVXIMLJGIGJXOK-UHFFFAOYSA-N 1 2 339.399 3.360 20 30 EGEDLO N#Cc1cc(NCc2cc[nH+]c(N3CCCC3)c2)c([N+](=O)[O-])s1 ZINC000891678591 1305133096 /nfs/dbraw/zinc/13/30/96/1305133096.db2.gz KUVPXOKRSLWKIZ-UHFFFAOYSA-N 1 2 329.385 3.135 20 30 EGEDLO C[C@H](c1ccsc1)[NH+]1CCN(c2cc(C#N)sc2[N+](=O)[O-])CC1 ZINC000893200726 1305759010 /nfs/dbraw/zinc/75/90/10/1305759010.db2.gz UWNWFBZMRHMGCG-LLVKDONJSA-N 1 2 348.453 3.473 20 30 EGEDLO C#CCC1(C(=O)N2CC[NH+](Cc3ccsc3)CC2)CCCCC1 ZINC000788134875 1305875586 /nfs/dbraw/zinc/87/55/86/1305875586.db2.gz MDWLGVVMQFAHHH-UHFFFAOYSA-N 1 2 330.497 3.366 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000789330103 1306141960 /nfs/dbraw/zinc/14/19/60/1306141960.db2.gz WOERYBLPNFOWSQ-UHFFFAOYSA-N 1 2 337.345 3.437 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000789330103 1306141965 /nfs/dbraw/zinc/14/19/65/1306141965.db2.gz WOERYBLPNFOWSQ-UHFFFAOYSA-N 1 2 337.345 3.437 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000790709220 1308854583 /nfs/dbraw/zinc/85/45/83/1308854583.db2.gz AZSPMMGWXWLOPR-QZTJIDSGSA-N 1 2 341.455 3.413 20 30 EGEDLO C#CCCCOc1cccnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895349852 1309293871 /nfs/dbraw/zinc/29/38/71/1309293871.db2.gz OSWLAXJNVBPVNP-UHFFFAOYSA-N 1 2 336.439 3.350 20 30 EGEDLO Cn1c(CC#N)nn(C[N@H+](C)CC23CC4CC(CC(C4)C2)C3)c1=S ZINC000794616190 1309555353 /nfs/dbraw/zinc/55/53/53/1309555353.db2.gz HRXNFMNSSNHNDR-UHFFFAOYSA-N 1 2 345.516 3.123 20 30 EGEDLO Cn1c(CC#N)nn(C[N@@H+](C)CC23CC4CC(CC(C4)C2)C3)c1=S ZINC000794616190 1309555361 /nfs/dbraw/zinc/55/53/61/1309555361.db2.gz HRXNFMNSSNHNDR-UHFFFAOYSA-N 1 2 345.516 3.123 20 30 EGEDLO Cc1ccc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)cc1[N+](=O)[O-] ZINC000794690593 1309576967 /nfs/dbraw/zinc/57/69/67/1309576967.db2.gz JQHGASBCPZXPOB-VOTSOKGWSA-N 1 2 331.397 3.317 20 30 EGEDLO COC(=O)c1csc(C(=O)/C=C/c2c[nH+]c3cccc(C)n23)c1 ZINC000794724089 1309582654 /nfs/dbraw/zinc/58/26/54/1309582654.db2.gz OACQCHGNWKJUAU-VOTSOKGWSA-N 1 2 326.377 3.387 20 30 EGEDLO COCCCON=C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000795051551 1309657838 /nfs/dbraw/zinc/65/78/38/1309657838.db2.gz VBDZOFKRDUDSRI-UHFFFAOYSA-N 1 2 328.815 3.484 20 30 EGEDLO C=C[C@@](C)(CCOC)c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896822570 1310034140 /nfs/dbraw/zinc/03/41/40/1310034140.db2.gz DLYUPMUIIHYQDH-IBGZPJMESA-N 1 2 338.411 3.326 20 30 EGEDLO Cc1ccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1C ZINC000798274886 1310333493 /nfs/dbraw/zinc/33/34/93/1310333493.db2.gz LKELPDKHEOTCAN-SJORKVTESA-N 1 2 329.444 3.152 20 30 EGEDLO Cc1cc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)ccc1Cl ZINC000798276194 1310334948 /nfs/dbraw/zinc/33/49/48/1310334948.db2.gz ZJLUHMXEMQYAKH-HOCLYGCPSA-N 1 2 349.862 3.497 20 30 EGEDLO N#CC1(C[NH+]2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)CC1 ZINC000801545100 1310963786 /nfs/dbraw/zinc/96/37/86/1310963786.db2.gz ZEYLLBOEXXYNTB-UHFFFAOYSA-N 1 2 340.345 3.172 20 30 EGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C#Cc3cccs3)n2)C1 ZINC000825389219 1320334155 /nfs/dbraw/zinc/33/41/55/1320334155.db2.gz LDBOTDBNKGHVLQ-ZDUSSCGKSA-N 1 2 345.493 3.427 20 30 EGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C#Cc3cccs3)n2)C1 ZINC000825389219 1320334158 /nfs/dbraw/zinc/33/41/58/1320334158.db2.gz LDBOTDBNKGHVLQ-ZDUSSCGKSA-N 1 2 345.493 3.427 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([NH2+][C@@H](C)c2nc(CCCC)no2)C1 ZINC001019232159 1317114322 /nfs/dbraw/zinc/11/43/22/1317114322.db2.gz LYDYPIDTSHDUSJ-GJZGRUSLSA-N 1 2 348.491 3.266 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@H]([NH2+][C@@H](C)c3nc(CCCC)no3)C2)C1 ZINC001019352184 1317187727 /nfs/dbraw/zinc/18/77/27/1317187727.db2.gz GJXLRUCSTLIQOC-GJZGRUSLSA-N 1 2 346.475 3.020 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(O[C@H](C)CC)cc2)C1 ZINC000957103841 1317189441 /nfs/dbraw/zinc/18/94/41/1317189441.db2.gz BPYFPWIXDSUSQL-MRXNPFEDSA-N 1 2 328.456 3.034 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2csc3c2CC[C@@H](C)C3)C1 ZINC000957352054 1317304328 /nfs/dbraw/zinc/30/43/28/1317304328.db2.gz MDIBFWJVLOMBBH-CQSZACIVSA-N 1 2 330.497 3.043 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cccc3c2OCC3(C)C)C1 ZINC000957468865 1317383067 /nfs/dbraw/zinc/38/30/67/1317383067.db2.gz BWMDTGFJAYWZKE-UHFFFAOYSA-N 1 2 328.456 3.079 20 30 EGEDLO C=C(C)CC[NH+]1CCN(C(=O)c2sc(Cl)nc2Cl)CC1 ZINC000957671678 1317542866 /nfs/dbraw/zinc/54/28/66/1317542866.db2.gz YZVAGPMNPAQNOJ-UHFFFAOYSA-N 1 2 334.272 3.174 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000808176711 1317640378 /nfs/dbraw/zinc/64/03/78/1317640378.db2.gz JOVXDMOCARUDEN-GOSISDBHSA-N 1 2 339.439 3.272 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000808176711 1317640387 /nfs/dbraw/zinc/64/03/87/1317640387.db2.gz JOVXDMOCARUDEN-GOSISDBHSA-N 1 2 339.439 3.272 20 30 EGEDLO C[C@@H]1CCCC[C@H]1CC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000957872945 1317671899 /nfs/dbraw/zinc/67/18/99/1317671899.db2.gz QHGBEWFRNMKXMX-XLIONFOSSA-N 1 2 339.483 3.419 20 30 EGEDLO Nc1nc2c(s1)C(=[NH+]Nc1ccnc(Br)c1)CCC2 ZINC000814904696 1318844469 /nfs/dbraw/zinc/84/44/69/1318844469.db2.gz VEPJHQIPDRJGAV-UHFFFAOYSA-N 1 2 338.234 3.035 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1csc(CC)n1 ZINC000960787171 1318891085 /nfs/dbraw/zinc/89/10/85/1318891085.db2.gz HSNWAROSWNWVMY-HNNXBMFYSA-N 1 2 335.517 3.341 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1csc(CC)n1 ZINC000960787171 1318891097 /nfs/dbraw/zinc/89/10/97/1318891097.db2.gz HSNWAROSWNWVMY-HNNXBMFYSA-N 1 2 335.517 3.341 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ncoc1C(C)C ZINC000960791319 1318896544 /nfs/dbraw/zinc/89/65/44/1318896544.db2.gz PRKWPESODALYJO-HNNXBMFYSA-N 1 2 333.476 3.433 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ncoc1C(C)C ZINC000960791319 1318896562 /nfs/dbraw/zinc/89/65/62/1318896562.db2.gz PRKWPESODALYJO-HNNXBMFYSA-N 1 2 333.476 3.433 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)[C@H](C)c1nc(C2CC2)no1 ZINC000960790834 1318896726 /nfs/dbraw/zinc/89/67/26/1318896726.db2.gz NUERHAGDYSLGGD-UKRRQHHQSA-N 1 2 346.475 3.143 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)[C@H](C)c1nc(C2CC2)no1 ZINC000960790834 1318896730 /nfs/dbraw/zinc/89/67/30/1318896730.db2.gz NUERHAGDYSLGGD-UKRRQHHQSA-N 1 2 346.475 3.143 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2nc(C)c(C)o2)C1 ZINC000960844833 1318979387 /nfs/dbraw/zinc/97/93/87/1318979387.db2.gz BOYKXYTYHJBOJY-MRXNPFEDSA-N 1 2 331.460 3.071 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2nc(C)c(C)o2)C1 ZINC000960844833 1318979397 /nfs/dbraw/zinc/97/93/97/1318979397.db2.gz BOYKXYTYHJBOJY-MRXNPFEDSA-N 1 2 331.460 3.071 20 30 EGEDLO C[C@H]1CCCC[C@@H]1N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000914596188 1319353300 /nfs/dbraw/zinc/35/33/00/1319353300.db2.gz CXLYSDXTQOZKIL-KBPBESRZSA-N 1 2 338.455 3.225 20 30 EGEDLO Cc1ccc(NC(=S)NN=C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000915936793 1319565290 /nfs/dbraw/zinc/56/52/90/1319565290.db2.gz AWMPYPIKMXJTMM-UHFFFAOYSA-N 1 2 339.468 3.333 20 30 EGEDLO C[C@H]1CN(c2ccccc2C=[NH+]Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000915934899 1319565691 /nfs/dbraw/zinc/56/56/91/1319565691.db2.gz NERQCDIXKFEBFO-AWEZNQCLSA-N 1 2 340.383 3.266 20 30 EGEDLO S=C(N[NH+]=Cc1ccc(N2CCCCC2)cc1)Nc1cccnc1 ZINC000916298079 1319633920 /nfs/dbraw/zinc/63/39/20/1319633920.db2.gz DRACXKVUYMWZOS-UHFFFAOYSA-N 1 2 339.468 3.392 20 30 EGEDLO C=CC[N@H+](CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)C(C)C ZINC000917481179 1319819486 /nfs/dbraw/zinc/81/94/86/1319819486.db2.gz COFJLYMVQYYCKX-FQEVSTJZSA-N 1 2 341.455 3.014 20 30 EGEDLO C=CC[N@@H+](CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)C(C)C ZINC000917481179 1319819495 /nfs/dbraw/zinc/81/94/95/1319819495.db2.gz COFJLYMVQYYCKX-FQEVSTJZSA-N 1 2 341.455 3.014 20 30 EGEDLO Clc1ccc(-c2nc3c(s2)C(=NNC2=[NH+]CCN2)CCC3)cc1 ZINC000841659812 1321293699 /nfs/dbraw/zinc/29/36/99/1321293699.db2.gz SPFJXPGQRGUOJC-UHFFFAOYSA-N 1 2 345.859 3.053 20 30 EGEDLO COC1(CCO[NH+]=C(N)c2ccc(Br)cc2)CCC1 ZINC000842038674 1321338726 /nfs/dbraw/zinc/33/87/26/1321338726.db2.gz GNJQWSQNOZGJSV-UHFFFAOYSA-N 1 2 327.222 3.045 20 30 EGEDLO C=CCn1c(C2CC2)nn(C[N@H+]2CC3(C[C@@H]2C)CCOCC3)c1=S ZINC000842637393 1321410855 /nfs/dbraw/zinc/41/08/55/1321410855.db2.gz MGKJHZVIDGCTLQ-AWEZNQCLSA-N 1 2 348.516 3.326 20 30 EGEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)c1=S ZINC000842637393 1321410857 /nfs/dbraw/zinc/41/08/57/1321410857.db2.gz MGKJHZVIDGCTLQ-AWEZNQCLSA-N 1 2 348.516 3.326 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(N(C(=O)C(F)(F)F)c2cccnc2)CC1 ZINC000930999843 1329025556 /nfs/dbraw/zinc/02/55/56/1329025556.db2.gz IZWMSNRDAIMHKW-UHFFFAOYSA-N 1 2 347.768 3.194 20 30 EGEDLO CCN(c1ccc(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)cc1)C(C)C ZINC000852320056 1323178285 /nfs/dbraw/zinc/17/82/85/1323178285.db2.gz VLRXYSBFBLSEET-QGZVFWFLSA-N 1 2 342.487 3.485 20 30 EGEDLO CCN(c1ccc(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)cc1)C(C)C ZINC000852320056 1323178290 /nfs/dbraw/zinc/17/82/90/1323178290.db2.gz VLRXYSBFBLSEET-QGZVFWFLSA-N 1 2 342.487 3.485 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1CNC(=O)c1ccsc1 ZINC001024319933 1323305031 /nfs/dbraw/zinc/30/50/31/1323305031.db2.gz PBFCHGAOTITKFJ-SFHVURJKSA-N 1 2 339.464 3.404 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccsc1 ZINC001024319933 1323305039 /nfs/dbraw/zinc/30/50/39/1323305039.db2.gz PBFCHGAOTITKFJ-SFHVURJKSA-N 1 2 339.464 3.404 20 30 EGEDLO CC1(C)C[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001024391028 1323363652 /nfs/dbraw/zinc/36/36/52/1323363652.db2.gz NRZLPQBCLGRUTE-IAGOWNOFSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)C[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001024391028 1323363659 /nfs/dbraw/zinc/36/36/59/1323363659.db2.gz NRZLPQBCLGRUTE-IAGOWNOFSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(C)ccc1OC ZINC001024541142 1323481773 /nfs/dbraw/zinc/48/17/73/1323481773.db2.gz XGMOCZICONBISR-HNNXBMFYSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C)ccc1OC ZINC001024541142 1323481779 /nfs/dbraw/zinc/48/17/79/1323481779.db2.gz XGMOCZICONBISR-HNNXBMFYSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCCC[C@H]1C[NH2+]Cc1nnc(C2CC2)o1 ZINC001025069826 1323870907 /nfs/dbraw/zinc/87/09/07/1323870907.db2.gz PZHDDGOYVIKCSK-HNAYVOBHSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](C/C(Cl)=C\Cl)C[C@H]32)CC1 ZINC001026012785 1324580025 /nfs/dbraw/zinc/58/00/25/1324580025.db2.gz NJLGFGXIFVINRT-VKYJBLONSA-N 1 2 329.271 3.098 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](C/C(Cl)=C\Cl)C[C@H]32)CC1 ZINC001026012785 1324580029 /nfs/dbraw/zinc/58/00/29/1324580029.db2.gz NJLGFGXIFVINRT-VKYJBLONSA-N 1 2 329.271 3.098 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@](C)(O)c1ccc(F)cc1 ZINC000853461689 1325097472 /nfs/dbraw/zinc/09/74/72/1325097472.db2.gz XFDBAQHXDPYPFI-LJQANCHMSA-N 1 2 328.387 3.333 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NCCc1nn(C)c2ccccc12 ZINC000853483173 1325100739 /nfs/dbraw/zinc/10/07/39/1325100739.db2.gz UYCFZNCUDOAQKF-UHFFFAOYSA-N 1 2 334.423 3.415 20 30 EGEDLO C=CC[N@H+](CN1C[C@@H](c2cccc(Cl)c2)CC1=O)[C@H](C)COC ZINC000853533701 1325117675 /nfs/dbraw/zinc/11/76/75/1325117675.db2.gz AOBVAXXDTZDAQN-ZBFHGGJFSA-N 1 2 336.863 3.136 20 30 EGEDLO C=CC[N@@H+](CN1C[C@@H](c2cccc(Cl)c2)CC1=O)[C@H](C)COC ZINC000853533701 1325117679 /nfs/dbraw/zinc/11/76/79/1325117679.db2.gz AOBVAXXDTZDAQN-ZBFHGGJFSA-N 1 2 336.863 3.136 20 30 EGEDLO Cc1cccc(CCCNc2cc(Br)cnc2C#N)[nH+]1 ZINC000853608885 1325133392 /nfs/dbraw/zinc/13/33/92/1325133392.db2.gz IDKZDXDSEZCYDO-UHFFFAOYSA-N 1 2 331.217 3.464 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC001027267866 1325367629 /nfs/dbraw/zinc/36/76/29/1325367629.db2.gz HCHRYQFVSLNDRU-AWEZNQCLSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC001027267866 1325367632 /nfs/dbraw/zinc/36/76/32/1325367632.db2.gz HCHRYQFVSLNDRU-AWEZNQCLSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc(C)o2)C1 ZINC001027286235 1325415651 /nfs/dbraw/zinc/41/56/51/1325415651.db2.gz PSIXBWSVHBBXPD-ZDUSSCGKSA-N 1 2 341.249 3.033 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(C)o2)C1 ZINC001027286235 1325415656 /nfs/dbraw/zinc/41/56/56/1325415656.db2.gz PSIXBWSVHBBXPD-ZDUSSCGKSA-N 1 2 341.249 3.033 20 30 EGEDLO CCCCc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)cs1 ZINC001027330346 1325487788 /nfs/dbraw/zinc/48/77/88/1325487788.db2.gz NTPVTKJBKWJYKS-ZBFHGGJFSA-N 1 2 348.516 3.068 20 30 EGEDLO CCCCc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)cs1 ZINC001027330346 1325487794 /nfs/dbraw/zinc/48/77/94/1325487794.db2.gz NTPVTKJBKWJYKS-ZBFHGGJFSA-N 1 2 348.516 3.068 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)CCC2CCC2)C1 ZINC001027358484 1325537449 /nfs/dbraw/zinc/53/74/49/1325537449.db2.gz MENAFEBAFGAIFT-HNNXBMFYSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)CCC2CCC2)C1 ZINC001027358484 1325537454 /nfs/dbraw/zinc/53/74/54/1325537454.db2.gz MENAFEBAFGAIFT-HNNXBMFYSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)C2CCC2)C1 ZINC001027460930 1327707749 /nfs/dbraw/zinc/70/77/49/1327707749.db2.gz RRVNJQYHAKOHDZ-UKRRQHHQSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)C2CCC2)C1 ZINC001027460930 1327707761 /nfs/dbraw/zinc/70/77/61/1327707761.db2.gz RRVNJQYHAKOHDZ-UKRRQHHQSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2(F)CCCC2)C1 ZINC001027469913 1327725227 /nfs/dbraw/zinc/72/52/27/1327725227.db2.gz KUMYVWWQTSWINA-CYBMUJFWSA-N 1 2 347.272 3.100 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)C2(F)CCCC2)C1 ZINC001027469913 1327725234 /nfs/dbraw/zinc/72/52/34/1327725234.db2.gz KUMYVWWQTSWINA-CYBMUJFWSA-N 1 2 347.272 3.100 20 30 EGEDLO Cc1occc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1C ZINC000964930872 1327776893 /nfs/dbraw/zinc/77/68/93/1327776893.db2.gz CBXPQRHGBYQEHF-KUHUBIRLSA-N 1 2 337.423 3.100 20 30 EGEDLO Cc1occc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2C#N)CC[C@H]1C ZINC000964930872 1327776902 /nfs/dbraw/zinc/77/69/02/1327776902.db2.gz CBXPQRHGBYQEHF-KUHUBIRLSA-N 1 2 337.423 3.100 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC001027531665 1327817197 /nfs/dbraw/zinc/81/71/97/1327817197.db2.gz OVUUAQYSFLUBDF-GDBMZVCRSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC001027531665 1327817207 /nfs/dbraw/zinc/81/72/07/1327817207.db2.gz OVUUAQYSFLUBDF-GDBMZVCRSA-N 1 2 341.293 3.174 20 30 EGEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927072540 1327843476 /nfs/dbraw/zinc/84/34/76/1327843476.db2.gz KKQZGNAAIWQYPK-INIZCTEOSA-N 1 2 348.450 3.235 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@H+](C)Cc3nc(C)oc3C)C2)CC1 ZINC001027558853 1327867675 /nfs/dbraw/zinc/86/76/75/1327867675.db2.gz JJPFKNBPEZDUST-GOSISDBHSA-N 1 2 345.487 3.461 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3nc(C)oc3C)C2)CC1 ZINC001027558853 1327867685 /nfs/dbraw/zinc/86/76/85/1327867685.db2.gz JJPFKNBPEZDUST-GOSISDBHSA-N 1 2 345.487 3.461 20 30 EGEDLO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1Cl)C1CCC1 ZINC001027716518 1328128444 /nfs/dbraw/zinc/12/84/44/1328128444.db2.gz FTGVSSJSRHRUDQ-KRWDZBQOSA-N 1 2 330.859 3.072 20 30 EGEDLO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl)C1CCC1 ZINC001027716518 1328128448 /nfs/dbraw/zinc/12/84/48/1328128448.db2.gz FTGVSSJSRHRUDQ-KRWDZBQOSA-N 1 2 330.859 3.072 20 30 EGEDLO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1Cl)C1CCCC1 ZINC001027717893 1328131748 /nfs/dbraw/zinc/13/17/48/1328131748.db2.gz GIQKBLIHQLFUHK-SFHVURJKSA-N 1 2 344.886 3.462 20 30 EGEDLO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl)C1CCCC1 ZINC001027717893 1328131752 /nfs/dbraw/zinc/13/17/52/1328131752.db2.gz GIQKBLIHQLFUHK-SFHVURJKSA-N 1 2 344.886 3.462 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2CNC(=O)c2cccs2)c1 ZINC001027734470 1328160857 /nfs/dbraw/zinc/16/08/57/1328160857.db2.gz ZGAOYHAMLSAJHK-OAHLLOKOSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2CNC(=O)c2cccs2)c1 ZINC001027734470 1328160859 /nfs/dbraw/zinc/16/08/59/1328160859.db2.gz ZGAOYHAMLSAJHK-OAHLLOKOSA-N 1 2 343.427 3.153 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ncoc1-c1ccccc1 ZINC001027918244 1328397526 /nfs/dbraw/zinc/39/75/26/1328397526.db2.gz LCYSAUJZOZHBOK-OAHLLOKOSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ncoc1-c1ccccc1 ZINC001027918244 1328397532 /nfs/dbraw/zinc/39/75/32/1328397532.db2.gz LCYSAUJZOZHBOK-OAHLLOKOSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnc(-c2ccccc2)o1 ZINC001027949901 1328422218 /nfs/dbraw/zinc/42/22/18/1328422218.db2.gz GFZZYQSNHCJDHW-HNNXBMFYSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnc(-c2ccccc2)o1 ZINC001027949901 1328422225 /nfs/dbraw/zinc/42/22/25/1328422225.db2.gz GFZZYQSNHCJDHW-HNNXBMFYSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)c2ccccc2n1 ZINC001027973295 1328446939 /nfs/dbraw/zinc/44/69/39/1328446939.db2.gz OAVMUEQQOPFCEX-OAHLLOKOSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)c2ccccc2n1 ZINC001027973295 1328446941 /nfs/dbraw/zinc/44/69/41/1328446941.db2.gz OAVMUEQQOPFCEX-OAHLLOKOSA-N 1 2 343.858 3.490 20 30 EGEDLO C=CCOc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=C)Cl)cc1 ZINC001027975112 1328450151 /nfs/dbraw/zinc/45/01/51/1328450151.db2.gz OTIBCNNQGAHGGS-INIZCTEOSA-N 1 2 334.847 3.198 20 30 EGEDLO C=CCOc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=C)Cl)cc1 ZINC001027975112 1328450155 /nfs/dbraw/zinc/45/01/55/1328450155.db2.gz OTIBCNNQGAHGGS-INIZCTEOSA-N 1 2 334.847 3.198 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC001028010608 1328473168 /nfs/dbraw/zinc/47/31/68/1328473168.db2.gz XKLXJGCNWDHEHI-HNNXBMFYSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC001028010608 1328473169 /nfs/dbraw/zinc/47/31/69/1328473169.db2.gz XKLXJGCNWDHEHI-HNNXBMFYSA-N 1 2 344.846 3.023 20 30 EGEDLO C=CCSc1nc2ccccc2n1C[N@@H+]1CCO[C@@H](COCC)C1 ZINC000863310926 1329545307 /nfs/dbraw/zinc/54/53/07/1329545307.db2.gz VKMRIQGGDBPNLJ-OAHLLOKOSA-N 1 2 347.484 3.009 20 30 EGEDLO C=CCSc1nc2ccccc2n1C[N@H+]1CCO[C@@H](COCC)C1 ZINC000863310926 1329545308 /nfs/dbraw/zinc/54/53/08/1329545308.db2.gz VKMRIQGGDBPNLJ-OAHLLOKOSA-N 1 2 347.484 3.009 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000933859179 1329929050 /nfs/dbraw/zinc/92/90/50/1329929050.db2.gz FPQFOJDYDOZMHC-APWZRJJASA-N 1 2 330.391 3.475 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](C/C(Cl)=C/Cl)C[C@H]2C)C1 ZINC000942607749 1332004401 /nfs/dbraw/zinc/00/44/01/1332004401.db2.gz KJXIIWAYTQRDDN-LRZCHELBSA-N 1 2 331.287 3.488 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](C/C(Cl)=C/Cl)C[C@H]2C)C1 ZINC000942607749 1332004404 /nfs/dbraw/zinc/00/44/04/1332004404.db2.gz KJXIIWAYTQRDDN-LRZCHELBSA-N 1 2 331.287 3.488 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)C=C2CCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947186082 1333042017 /nfs/dbraw/zinc/04/20/17/1333042017.db2.gz PMBVORVESUKBPX-IFXJQAMLSA-N 1 2 341.430 3.277 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)C=C2CCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947186082 1333042021 /nfs/dbraw/zinc/04/20/21/1333042021.db2.gz PMBVORVESUKBPX-IFXJQAMLSA-N 1 2 341.430 3.277 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2coc(C)c2)C[C@@H]1C ZINC000947245478 1333063379 /nfs/dbraw/zinc/06/33/79/1333063379.db2.gz SVHRXAMSRQKKMO-FZMZJTMJSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2coc(C)c2)C[C@@H]1C ZINC000947245478 1333063383 /nfs/dbraw/zinc/06/33/83/1333063383.db2.gz SVHRXAMSRQKKMO-FZMZJTMJSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C2(C3CC3)CC2)C[C@@H]1C ZINC000947425328 1333122815 /nfs/dbraw/zinc/12/28/15/1333122815.db2.gz IKSYINAEDLWCAA-GXTWGEPZSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C2(C3CC3)CC2)C[C@@H]1C ZINC000947425328 1333122817 /nfs/dbraw/zinc/12/28/17/1333122817.db2.gz IKSYINAEDLWCAA-GXTWGEPZSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2n[nH]c3ccc(C)cc32)C[C@H]1C ZINC000947493225 1333146177 /nfs/dbraw/zinc/14/61/77/1333146177.db2.gz QUYCCBSTINIQGN-CABCVRRESA-N 1 2 326.444 3.030 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2n[nH]c3ccc(C)cc32)C[C@H]1C ZINC000947493225 1333146178 /nfs/dbraw/zinc/14/61/78/1333146178.db2.gz QUYCCBSTINIQGN-CABCVRRESA-N 1 2 326.444 3.030 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C2(C)CCC2)C[C@@H]1C ZINC000947611424 1333192113 /nfs/dbraw/zinc/19/21/13/1333192113.db2.gz LGUPHSUIGVOIQC-QWHCGFSZSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CCC2)C[C@@H]1C ZINC000947611424 1333192116 /nfs/dbraw/zinc/19/21/16/1333192116.db2.gz LGUPHSUIGVOIQC-QWHCGFSZSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cscn3)[C@H](C)C2)CC1 ZINC000947686140 1333223710 /nfs/dbraw/zinc/22/37/10/1333223710.db2.gz UOAFIXCNWZWUMU-GDBMZVCRSA-N 1 2 333.501 3.359 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cscn3)[C@H](C)C2)CC1 ZINC000947686140 1333223712 /nfs/dbraw/zinc/22/37/12/1333223712.db2.gz UOAFIXCNWZWUMU-GDBMZVCRSA-N 1 2 333.501 3.359 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(C(C)C)no3)[C@@H](C)C2)C1 ZINC000947703290 1333233782 /nfs/dbraw/zinc/23/37/82/1333233782.db2.gz XBDSQXYIIGIKSO-LSDHHAIUSA-N 1 2 346.475 3.018 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3nc(C(C)C)no3)[C@@H](C)C2)C1 ZINC000947703290 1333233785 /nfs/dbraw/zinc/23/37/85/1333233785.db2.gz XBDSQXYIIGIKSO-LSDHHAIUSA-N 1 2 346.475 3.018 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ncc(C)cc1C ZINC000948941185 1333742769 /nfs/dbraw/zinc/74/27/69/1333742769.db2.gz VBUNLKRNGKQGHA-HXUWFJFHSA-N 1 2 347.462 3.051 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ncc(C)cc1C ZINC000948941185 1333742772 /nfs/dbraw/zinc/74/27/72/1333742772.db2.gz VBUNLKRNGKQGHA-HXUWFJFHSA-N 1 2 347.462 3.051 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)ccc1F ZINC000948965158 1333750033 /nfs/dbraw/zinc/75/00/33/1333750033.db2.gz GXJWWUFROPWNBW-FQEVSTJZSA-N 1 2 336.410 3.097 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)ccc1F ZINC000948965158 1333750034 /nfs/dbraw/zinc/75/00/34/1333750034.db2.gz GXJWWUFROPWNBW-FQEVSTJZSA-N 1 2 336.410 3.097 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC000948986431 1333760491 /nfs/dbraw/zinc/76/04/91/1333760491.db2.gz LNHHICYYGOMIHQ-QFIPXVFZSA-N 1 2 344.458 3.138 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC000948986431 1333760496 /nfs/dbraw/zinc/76/04/96/1333760496.db2.gz LNHHICYYGOMIHQ-QFIPXVFZSA-N 1 2 344.458 3.138 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(C)nc1C ZINC000948986854 1333760604 /nfs/dbraw/zinc/76/06/04/1333760604.db2.gz QFKZFLXHCWSGNH-OAQYLSRUSA-N 1 2 347.462 3.051 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(C)nc1C ZINC000948986854 1333760612 /nfs/dbraw/zinc/76/06/12/1333760612.db2.gz QFKZFLXHCWSGNH-OAQYLSRUSA-N 1 2 347.462 3.051 20 30 EGEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)CCC3CCCCCC3)CC2)C1 ZINC000949414486 1333841644 /nfs/dbraw/zinc/84/16/44/1333841644.db2.gz APCCGPIBYOJZFL-UHFFFAOYSA-N 1 2 346.515 3.064 20 30 EGEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)CCC3CCCCCC3)CC2)C1 ZINC000949414486 1333841645 /nfs/dbraw/zinc/84/16/45/1333841645.db2.gz APCCGPIBYOJZFL-UHFFFAOYSA-N 1 2 346.515 3.064 20 30 EGEDLO C#Cc1ccc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000949593814 1333880771 /nfs/dbraw/zinc/88/07/71/1333880771.db2.gz OXDQJURYJKVBGZ-TWGQIWQCSA-N 1 2 330.431 3.139 20 30 EGEDLO C#Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)cc1 ZINC000949597143 1333881034 /nfs/dbraw/zinc/88/10/34/1333881034.db2.gz LMEWCJZWMADZON-INIZCTEOSA-N 1 2 336.410 3.326 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](Cc2ccc(C)c(OC)c2)CC1 ZINC000949631743 1333886250 /nfs/dbraw/zinc/88/62/50/1333886250.db2.gz QSAFQWGIOJVOQN-UHFFFAOYSA-N 1 2 330.472 3.250 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC000950051693 1334003654 /nfs/dbraw/zinc/00/36/54/1334003654.db2.gz QTYWEXXEKKDCMF-FQEVSTJZSA-N 1 2 330.472 3.250 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](CCOc2cc(C)cc(C)c2)CC1 ZINC000950051731 1334003843 /nfs/dbraw/zinc/00/38/43/1334003843.db2.gz SIIQNIHLRVWOQX-NRFANRHFSA-N 1 2 344.499 3.429 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(C)oc2C(F)(F)F)C1 ZINC000952375546 1334440089 /nfs/dbraw/zinc/44/00/89/1334440089.db2.gz QOQOEMFZCRTNGZ-UHFFFAOYSA-N 1 2 330.350 3.329 20 30 EGEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](CC(=C)Cl)CC[C@@H]1C ZINC000967010409 1335641552 /nfs/dbraw/zinc/64/15/52/1335641552.db2.gz VKWMHKQDYPYGGC-WMLDXEAASA-N 1 2 348.874 3.444 20 30 EGEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@H+](CC(=C)Cl)CC[C@@H]1C ZINC000967010409 1335641557 /nfs/dbraw/zinc/64/15/57/1335641557.db2.gz VKWMHKQDYPYGGC-WMLDXEAASA-N 1 2 348.874 3.444 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(F)c2F)C1 ZINC000968063019 1335850888 /nfs/dbraw/zinc/85/08/88/1335850888.db2.gz WDIMIRIIGWAXFG-YGRLFVJLSA-N 1 2 328.790 3.158 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(F)c2F)C1 ZINC000968063019 1335850891 /nfs/dbraw/zinc/85/08/91/1335850891.db2.gz WDIMIRIIGWAXFG-YGRLFVJLSA-N 1 2 328.790 3.158 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2cccc(Cl)c2)C1 ZINC000968159300 1335863748 /nfs/dbraw/zinc/86/37/48/1335863748.db2.gz ZQTJFROONUGJRQ-LRDDRELGSA-N 1 2 341.282 3.462 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2cccc(Cl)c2)C1 ZINC000968159300 1335863750 /nfs/dbraw/zinc/86/37/50/1335863750.db2.gz ZQTJFROONUGJRQ-LRDDRELGSA-N 1 2 341.282 3.462 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2cc(C)ccc2C)C1 ZINC000968177980 1335867074 /nfs/dbraw/zinc/86/70/74/1335867074.db2.gz QYVDUENVDBFNDA-MAUKXSAKSA-N 1 2 334.891 3.425 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2cc(C)ccc2C)C1 ZINC000968177980 1335867076 /nfs/dbraw/zinc/86/70/76/1335867076.db2.gz QYVDUENVDBFNDA-MAUKXSAKSA-N 1 2 334.891 3.425 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3ccncc3Cl)CC[C@H]2C)C1 ZINC000968210700 1335872322 /nfs/dbraw/zinc/87/23/22/1335872322.db2.gz IFNMSXZPDZIZRR-RHSMWYFYSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3ccncc3Cl)CC[C@H]2C)C1 ZINC000968210700 1335872324 /nfs/dbraw/zinc/87/23/24/1335872324.db2.gz IFNMSXZPDZIZRR-RHSMWYFYSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(Cl)n3)CC[C@@H]2C)C1 ZINC000968215099 1335873442 /nfs/dbraw/zinc/87/34/42/1335873442.db2.gz VZLJNDCVCQRTHG-GOEBONIOSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3cccc(Cl)n3)CC[C@@H]2C)C1 ZINC000968215099 1335873443 /nfs/dbraw/zinc/87/34/43/1335873443.db2.gz VZLJNDCVCQRTHG-GOEBONIOSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C(C)C)cn2)C1 ZINC000968332185 1335891900 /nfs/dbraw/zinc/89/19/00/1335891900.db2.gz VDYCDOJEYPAXBO-GUYCJALGSA-N 1 2 335.879 3.398 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C(C)C)cn2)C1 ZINC000968332185 1335891903 /nfs/dbraw/zinc/89/19/03/1335891903.db2.gz VDYCDOJEYPAXBO-GUYCJALGSA-N 1 2 335.879 3.398 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2sc(C)cc2C)C1 ZINC000968596837 1335978100 /nfs/dbraw/zinc/97/81/00/1335978100.db2.gz NEEANMYAYWDIRB-ABAIWWIYSA-N 1 2 340.920 3.487 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2sc(C)cc2C)C1 ZINC000968596837 1335978103 /nfs/dbraw/zinc/97/81/03/1335978103.db2.gz NEEANMYAYWDIRB-ABAIWWIYSA-N 1 2 340.920 3.487 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC000968615626 1335985273 /nfs/dbraw/zinc/98/52/73/1335985273.db2.gz ZXGSWUAMKKDPAK-KDOFPFPSSA-N 1 2 334.891 3.425 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC000968615626 1335985274 /nfs/dbraw/zinc/98/52/74/1335985274.db2.gz ZXGSWUAMKKDPAK-KDOFPFPSSA-N 1 2 334.891 3.425 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc3c2CCC3)C1 ZINC000968695259 1336014974 /nfs/dbraw/zinc/01/49/74/1336014974.db2.gz KWDLWIMPDZQJFK-FZKQIMNGSA-N 1 2 332.875 3.368 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc3c2CCC3)C1 ZINC000968695259 1336014976 /nfs/dbraw/zinc/01/49/76/1336014976.db2.gz KWDLWIMPDZQJFK-FZKQIMNGSA-N 1 2 332.875 3.368 20 30 EGEDLO C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000968985071 1336109657 /nfs/dbraw/zinc/10/96/57/1336109657.db2.gz NRHRSUSDPWKRHD-NIKGAXFTSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000968985071 1336109660 /nfs/dbraw/zinc/10/96/60/1336109660.db2.gz NRHRSUSDPWKRHD-NIKGAXFTSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2c(F)ccc3ccncc32)C1 ZINC000969719134 1336238928 /nfs/dbraw/zinc/23/89/28/1336238928.db2.gz XNTATZOUXYAKQD-GFCCVEGCSA-N 1 2 347.821 3.177 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccoc2C(F)(F)F)C1 ZINC000969757378 1336243758 /nfs/dbraw/zinc/24/37/58/1336243758.db2.gz QWZBYWNCVQUIBP-VIFPVBQESA-N 1 2 336.741 3.101 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccnc(-c3ccco3)c2)C1 ZINC000969923269 1336260696 /nfs/dbraw/zinc/26/06/96/1336260696.db2.gz QBQBWEWYUZJOFV-ZDUSSCGKSA-N 1 2 345.830 3.144 20 30 EGEDLO C[C@@H](NC(=O)[C@@H]1CCC1(C)C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970297430 1336293463 /nfs/dbraw/zinc/29/34/63/1336293463.db2.gz HCUVUYGQASCBLN-DYVFJYSZSA-N 1 2 343.446 3.070 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2csc(C(C)(C)C)n2)C1 ZINC000970587537 1336324453 /nfs/dbraw/zinc/32/44/53/1336324453.db2.gz VXDJGFUENQSCST-LLVKDONJSA-N 1 2 341.908 3.243 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)c(C)o1 ZINC001006704985 1336559304 /nfs/dbraw/zinc/55/93/04/1336559304.db2.gz SGICELJGCCXPTC-AWEZNQCLSA-N 1 2 343.452 3.224 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)c(C)o1 ZINC001006704985 1336559307 /nfs/dbraw/zinc/55/93/07/1336559307.db2.gz SGICELJGCCXPTC-AWEZNQCLSA-N 1 2 343.452 3.224 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)oc1C ZINC001007115540 1336645669 /nfs/dbraw/zinc/64/56/69/1336645669.db2.gz YYWJSDLGCUGTLR-IBGZPJMESA-N 1 2 336.435 3.142 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)oc1C ZINC001007115540 1336645671 /nfs/dbraw/zinc/64/56/71/1336645671.db2.gz YYWJSDLGCUGTLR-IBGZPJMESA-N 1 2 336.435 3.142 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001007467933 1336653005 /nfs/dbraw/zinc/65/30/05/1336653005.db2.gz CFZINUXNUZDPBE-YOEHRIQHSA-N 1 2 347.409 3.074 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001007467933 1336653007 /nfs/dbraw/zinc/65/30/07/1336653007.db2.gz CFZINUXNUZDPBE-YOEHRIQHSA-N 1 2 347.409 3.074 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001007645584 1336682982 /nfs/dbraw/zinc/68/29/82/1336682982.db2.gz VQYKBIKQDZIMBT-FUHWJXTLSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001007645584 1336682985 /nfs/dbraw/zinc/68/29/85/1336682985.db2.gz VQYKBIKQDZIMBT-FUHWJXTLSA-N 1 2 332.875 3.440 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001008258222 1336806255 /nfs/dbraw/zinc/80/62/55/1336806255.db2.gz SIVHDNKVAWMOFF-MOPGFXCFSA-N 1 2 342.458 3.194 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001008258222 1336806257 /nfs/dbraw/zinc/80/62/57/1336806257.db2.gz SIVHDNKVAWMOFF-MOPGFXCFSA-N 1 2 342.458 3.194 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001008260839 1336807457 /nfs/dbraw/zinc/80/74/57/1336807457.db2.gz YOSGTUOJGBOLHK-IAGOWNOFSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001008260839 1336807461 /nfs/dbraw/zinc/80/74/61/1336807461.db2.gz YOSGTUOJGBOLHK-IAGOWNOFSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(C4CC4)no3)C2)CC1 ZINC001008421858 1336848443 /nfs/dbraw/zinc/84/84/43/1336848443.db2.gz KTNUICVDKKCQSK-QGZVFWFLSA-N 1 2 343.471 3.379 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(C4CC4)no3)C2)CC1 ZINC001008421858 1336848445 /nfs/dbraw/zinc/84/84/45/1336848445.db2.gz KTNUICVDKKCQSK-QGZVFWFLSA-N 1 2 343.471 3.379 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3cc(F)cc(F)c3)C2)C1 ZINC001008437519 1336853183 /nfs/dbraw/zinc/85/31/83/1336853183.db2.gz NRPGZYNNZPLFJK-KRWDZBQOSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(F)cc(F)c3)C2)C1 ZINC001008437519 1336853185 /nfs/dbraw/zinc/85/31/85/1336853185.db2.gz NRPGZYNNZPLFJK-KRWDZBQOSA-N 1 2 334.410 3.402 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001008459999 1336861171 /nfs/dbraw/zinc/86/11/71/1336861171.db2.gz RDEOLKHFFNWKIU-BPQIPLTHSA-N 1 2 343.446 3.214 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001008459999 1336861172 /nfs/dbraw/zinc/86/11/72/1336861172.db2.gz RDEOLKHFFNWKIU-BPQIPLTHSA-N 1 2 343.446 3.214 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC001009096240 1336969125 /nfs/dbraw/zinc/96/91/25/1336969125.db2.gz PCKRNWGKUMCDFV-SFHVURJKSA-N 1 2 343.446 3.311 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC001009096240 1336969127 /nfs/dbraw/zinc/96/91/27/1336969127.db2.gz PCKRNWGKUMCDFV-SFHVURJKSA-N 1 2 343.446 3.311 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c3cccc(C)c23)C1 ZINC001009246393 1336989910 /nfs/dbraw/zinc/98/99/10/1336989910.db2.gz MNTLZBNMJYYPOM-MRXNPFEDSA-N 1 2 345.874 3.352 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c3cccc(C)c23)C1 ZINC001009246393 1336989912 /nfs/dbraw/zinc/98/99/12/1336989912.db2.gz MNTLZBNMJYYPOM-MRXNPFEDSA-N 1 2 345.874 3.352 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH]c3ccccc23)C1 ZINC001009309406 1337003349 /nfs/dbraw/zinc/00/33/49/1337003349.db2.gz UCGJDJFKBBWNOS-HNNXBMFYSA-N 1 2 331.847 3.044 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2c[nH]c3ccccc23)C1 ZINC001009309406 1337003353 /nfs/dbraw/zinc/00/33/53/1337003353.db2.gz UCGJDJFKBBWNOS-HNNXBMFYSA-N 1 2 331.847 3.044 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001009591637 1337042308 /nfs/dbraw/zinc/04/23/08/1337042308.db2.gz YXDVKFDPDSFDHJ-TZMCWYRMSA-N 1 2 342.817 3.401 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001009591637 1337042310 /nfs/dbraw/zinc/04/23/10/1337042310.db2.gz YXDVKFDPDSFDHJ-TZMCWYRMSA-N 1 2 342.817 3.401 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2cc3ccccc3n2C)C1 ZINC001009672374 1337057698 /nfs/dbraw/zinc/05/76/98/1337057698.db2.gz LANLIKJBOXSPEU-MRXNPFEDSA-N 1 2 345.874 3.054 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cc3ccccc3n2C)C1 ZINC001009672374 1337057701 /nfs/dbraw/zinc/05/77/01/1337057701.db2.gz LANLIKJBOXSPEU-MRXNPFEDSA-N 1 2 345.874 3.054 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CCC[C@H](NC(=O)c3ccc(F)s3)C2)c1 ZINC001009701723 1337063117 /nfs/dbraw/zinc/06/31/17/1337063117.db2.gz HPRKIXLBQSFNNL-HNNXBMFYSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccc(F)s3)C2)c1 ZINC001009701723 1337063118 /nfs/dbraw/zinc/06/31/18/1337063118.db2.gz HPRKIXLBQSFNNL-HNNXBMFYSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)C(F)=C3CCCC3)C2)c1 ZINC001010565840 1337224011 /nfs/dbraw/zinc/22/40/11/1337224011.db2.gz HJRWYKFMUFUFMG-MRXNPFEDSA-N 1 2 345.393 3.185 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)C(F)=C3CCCC3)C2)c1 ZINC001010565840 1337224012 /nfs/dbraw/zinc/22/40/12/1337224012.db2.gz HJRWYKFMUFUFMG-MRXNPFEDSA-N 1 2 345.393 3.185 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc3c([nH]2)c(F)ccc3C)C1 ZINC001015012673 1337987782 /nfs/dbraw/zinc/98/77/82/1337987782.db2.gz CIIGKVURHUSKFO-GFCCVEGCSA-N 1 2 335.810 3.172 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc3c([nH]2)c(F)ccc3C)C1 ZINC001015012673 1337987784 /nfs/dbraw/zinc/98/77/84/1337987784.db2.gz CIIGKVURHUSKFO-GFCCVEGCSA-N 1 2 335.810 3.172 20 30 EGEDLO CCc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)s1 ZINC001015149070 1338034699 /nfs/dbraw/zinc/03/46/99/1338034699.db2.gz LBEQYSOAHIPNJC-MRXNPFEDSA-N 1 2 339.464 3.186 20 30 EGEDLO CCc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)s1 ZINC001015149070 1338034703 /nfs/dbraw/zinc/03/47/03/1338034703.db2.gz LBEQYSOAHIPNJC-MRXNPFEDSA-N 1 2 339.464 3.186 20 30 EGEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001015238547 1338067875 /nfs/dbraw/zinc/06/78/75/1338067875.db2.gz MMMXRDKHKZQUMS-BRWVUGGUSA-N 1 2 343.446 3.070 20 30 EGEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001015238547 1338067877 /nfs/dbraw/zinc/06/78/77/1338067877.db2.gz MMMXRDKHKZQUMS-BRWVUGGUSA-N 1 2 343.446 3.070 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001015305156 1338092145 /nfs/dbraw/zinc/09/21/45/1338092145.db2.gz HLTKVNSCUBLZNK-IBGZPJMESA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001015305156 1338092150 /nfs/dbraw/zinc/09/21/50/1338092150.db2.gz HLTKVNSCUBLZNK-IBGZPJMESA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001015305157 1338092195 /nfs/dbraw/zinc/09/21/95/1338092195.db2.gz HLTKVNSCUBLZNK-LJQANCHMSA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001015305157 1338092200 /nfs/dbraw/zinc/09/22/00/1338092200.db2.gz HLTKVNSCUBLZNK-LJQANCHMSA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001015687819 1338258995 /nfs/dbraw/zinc/25/89/95/1338258995.db2.gz SFTITHGXEIBXJR-YOEHRIQHSA-N 1 2 347.409 3.074 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001015687819 1338258996 /nfs/dbraw/zinc/25/89/96/1338258996.db2.gz SFTITHGXEIBXJR-YOEHRIQHSA-N 1 2 347.409 3.074 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001016210799 1338509610 /nfs/dbraw/zinc/50/96/10/1338509610.db2.gz ILBXINQXSWKAJX-GOSISDBHSA-N 1 2 344.418 3.044 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001016210799 1338509612 /nfs/dbraw/zinc/50/96/12/1338509612.db2.gz ILBXINQXSWKAJX-GOSISDBHSA-N 1 2 344.418 3.044 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(Cc2ccccc2)CCC1 ZINC001017624303 1339378481 /nfs/dbraw/zinc/37/84/81/1339378481.db2.gz LKQXOOLIWJERDV-BGYRXZFFSA-N 1 2 336.479 3.098 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(Cc2ccccc2)CCC1 ZINC001017624303 1339378484 /nfs/dbraw/zinc/37/84/84/1339378484.db2.gz LKQXOOLIWJERDV-BGYRXZFFSA-N 1 2 336.479 3.098 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC001017634076 1339379550 /nfs/dbraw/zinc/37/95/50/1339379550.db2.gz MZYICAVFVPBCPP-QKPAOTATSA-N 1 2 342.405 3.054 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC001017634076 1339379552 /nfs/dbraw/zinc/37/95/52/1339379552.db2.gz MZYICAVFVPBCPP-QKPAOTATSA-N 1 2 342.405 3.054 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2CCC=CCC2)c1 ZINC001018281353 1339560223 /nfs/dbraw/zinc/56/02/23/1339560223.db2.gz XKTSTCCQNISDFD-OYRHEFFESA-N 1 2 349.478 3.480 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2CCC=CCC2)c1 ZINC001018281353 1339560227 /nfs/dbraw/zinc/56/02/27/1339560227.db2.gz XKTSTCCQNISDFD-OYRHEFFESA-N 1 2 349.478 3.480 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1oc2c(cccc2C)c1C ZINC001018309153 1339571464 /nfs/dbraw/zinc/57/14/64/1339571464.db2.gz UKWRBLQIKIBACB-CALCHBBNSA-N 1 2 336.435 3.362 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1oc2c(cccc2C)c1C ZINC001018309153 1339571465 /nfs/dbraw/zinc/57/14/65/1339571465.db2.gz UKWRBLQIKIBACB-CALCHBBNSA-N 1 2 336.435 3.362 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001028083180 1340415165 /nfs/dbraw/zinc/41/51/65/1340415165.db2.gz QVKYOQDZQQSQBP-CQSZACIVSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001028083180 1340415166 /nfs/dbraw/zinc/41/51/66/1340415166.db2.gz QVKYOQDZQQSQBP-CQSZACIVSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001028121957 1340441680 /nfs/dbraw/zinc/44/16/80/1340441680.db2.gz BQIAWAXEDLQMNC-ZIAGYGMSSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001028121957 1340441682 /nfs/dbraw/zinc/44/16/82/1340441682.db2.gz BQIAWAXEDLQMNC-ZIAGYGMSSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2cn[nH]c2)cc1 ZINC001028202134 1340480930 /nfs/dbraw/zinc/48/09/30/1340480930.db2.gz RFXVPBRBPAKDML-QGZVFWFLSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2cn[nH]c2)cc1 ZINC001028202134 1340480933 /nfs/dbraw/zinc/48/09/33/1340480933.db2.gz RFXVPBRBPAKDML-QGZVFWFLSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)cc(OC)c1 ZINC001028218554 1340489147 /nfs/dbraw/zinc/48/91/47/1340489147.db2.gz MRNZAMFOWJWMDC-AWEZNQCLSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)cc(OC)c1 ZINC001028218554 1340489150 /nfs/dbraw/zinc/48/91/50/1340489150.db2.gz MRNZAMFOWJWMDC-AWEZNQCLSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1Cc2c1cccc2Cl ZINC001028342946 1340582654 /nfs/dbraw/zinc/58/26/54/1340582654.db2.gz IXMJWBARFNTUMN-SWLSCSKDSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1Cc2c1cccc2Cl ZINC001028342946 1340582657 /nfs/dbraw/zinc/58/26/57/1340582657.db2.gz IXMJWBARFNTUMN-SWLSCSKDSA-N 1 2 339.266 3.313 20 30 EGEDLO C/C=C(\C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029263016 1340963413 /nfs/dbraw/zinc/96/34/13/1340963413.db2.gz FQNTUTJWLBBVHY-GZEVZEKLSA-N 1 2 342.870 3.333 20 30 EGEDLO C/C=C(\C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029263016 1340963414 /nfs/dbraw/zinc/96/34/14/1340963414.db2.gz FQNTUTJWLBBVHY-GZEVZEKLSA-N 1 2 342.870 3.333 20 30 EGEDLO CC(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029533842 1341006518 /nfs/dbraw/zinc/00/65/18/1341006518.db2.gz CZSXYSJUFJSUKS-JSXRDJHFSA-N 1 2 336.479 3.005 20 30 EGEDLO CC(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029533842 1341006521 /nfs/dbraw/zinc/00/65/21/1341006521.db2.gz CZSXYSJUFJSUKS-JSXRDJHFSA-N 1 2 336.479 3.005 20 30 EGEDLO C=CCOc1ccccc1C(=O)NC1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001030542176 1341196091 /nfs/dbraw/zinc/19/60/91/1341196091.db2.gz QZYVKRXHJCHSSY-MRXNPFEDSA-N 1 2 336.435 3.427 20 30 EGEDLO CC1(C)CC[C@@H](C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)C1 ZINC001031959928 1341432210 /nfs/dbraw/zinc/43/22/10/1341432210.db2.gz HFVHHBBXTQZOHZ-GOSISDBHSA-N 1 2 342.458 3.052 20 30 EGEDLO O=C(C[C@@H]1CC=CCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032566131 1341541940 /nfs/dbraw/zinc/54/19/40/1341541940.db2.gz GIDJABLCXUHTGG-HKBOAZHASA-N 1 2 334.463 3.070 20 30 EGEDLO O=C(C[C@@H]1CC=CCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032566131 1341541941 /nfs/dbraw/zinc/54/19/41/1341541941.db2.gz GIDJABLCXUHTGG-HKBOAZHASA-N 1 2 334.463 3.070 20 30 EGEDLO CC1(C)CC(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)s2)C1 ZINC001032583058 1341548818 /nfs/dbraw/zinc/54/88/18/1341548818.db2.gz DTRHIYJAIYYDNC-GJZGRUSLSA-N 1 2 343.496 3.231 20 30 EGEDLO CC1(C)CC(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)s2)C1 ZINC001032583058 1341548819 /nfs/dbraw/zinc/54/88/19/1341548819.db2.gz DTRHIYJAIYYDNC-GJZGRUSLSA-N 1 2 343.496 3.231 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccoc2C2CC2)c1 ZINC001032590094 1341550271 /nfs/dbraw/zinc/55/02/71/1341550271.db2.gz ONIAARCAODNSKM-ROUUACIJSA-N 1 2 347.418 3.128 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccoc2C2CC2)c1 ZINC001032590094 1341550272 /nfs/dbraw/zinc/55/02/72/1341550272.db2.gz ONIAARCAODNSKM-ROUUACIJSA-N 1 2 347.418 3.128 20 30 EGEDLO Cc1cc(F)cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)c1 ZINC001032642820 1341567976 /nfs/dbraw/zinc/56/79/76/1341567976.db2.gz FFJVMKUBXHZIBC-PMACEKPBSA-N 1 2 349.409 3.105 20 30 EGEDLO Cc1cc(F)cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)c1 ZINC001032642820 1341567977 /nfs/dbraw/zinc/56/79/77/1341567977.db2.gz FFJVMKUBXHZIBC-PMACEKPBSA-N 1 2 349.409 3.105 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2(F)CCCCC2)c1 ZINC001032714777 1341589214 /nfs/dbraw/zinc/58/92/14/1341589214.db2.gz RZRKNGRCGBPGFU-ROUUACIJSA-N 1 2 341.430 3.016 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2(F)CCCCC2)c1 ZINC001032714777 1341589215 /nfs/dbraw/zinc/58/92/15/1341589215.db2.gz RZRKNGRCGBPGFU-ROUUACIJSA-N 1 2 341.430 3.016 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CCCCCC2)C1 ZINC001032952438 1341674986 /nfs/dbraw/zinc/67/49/86/1341674986.db2.gz LQMAZXIWSDCADS-OAHLLOKOSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C2CCCCCC2)C1 ZINC001032952438 1341674985 /nfs/dbraw/zinc/67/49/85/1341674985.db2.gz LQMAZXIWSDCADS-OAHLLOKOSA-N 1 2 343.309 3.398 20 30 EGEDLO C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1)C1CC1 ZINC001032981299 1341683552 /nfs/dbraw/zinc/68/35/52/1341683552.db2.gz DYQHUJXCFDCESE-QAPCUYQASA-N 1 2 344.886 3.270 20 30 EGEDLO C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1)C1CC1 ZINC001032981299 1341683554 /nfs/dbraw/zinc/68/35/54/1341683554.db2.gz DYQHUJXCFDCESE-QAPCUYQASA-N 1 2 344.886 3.270 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2nc(C(C)C)oc2C)C1 ZINC001033074913 1341716861 /nfs/dbraw/zinc/71/68/61/1341716861.db2.gz CRJRPROMULFQDI-CYBMUJFWSA-N 1 2 325.840 3.005 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2nc(C(C)C)oc2C)C1 ZINC001033074913 1341716862 /nfs/dbraw/zinc/71/68/62/1341716862.db2.gz CRJRPROMULFQDI-CYBMUJFWSA-N 1 2 325.840 3.005 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC001033150679 1341740646 /nfs/dbraw/zinc/74/06/46/1341740646.db2.gz XYCWRSSLCHKISZ-NFSPANSCSA-N 1 2 336.907 3.344 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC001033150679 1341740647 /nfs/dbraw/zinc/74/06/47/1341740647.db2.gz XYCWRSSLCHKISZ-NFSPANSCSA-N 1 2 336.907 3.344 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2nccc3ccccc32)C1 ZINC001033371629 1341800148 /nfs/dbraw/zinc/80/01/48/1341800148.db2.gz ZVLQJCSQNGDFAC-OAHLLOKOSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2nccc3ccccc32)C1 ZINC001033371629 1341800150 /nfs/dbraw/zinc/80/01/50/1341800150.db2.gz ZVLQJCSQNGDFAC-OAHLLOKOSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2cccc(F)c2)C1 ZINC001033422757 1341821840 /nfs/dbraw/zinc/82/18/40/1341821840.db2.gz SVTQRZDEBHAFJB-MRXNPFEDSA-N 1 2 338.854 3.389 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2cccc(F)c2)C1 ZINC001033422757 1341821841 /nfs/dbraw/zinc/82/18/41/1341821841.db2.gz SVTQRZDEBHAFJB-MRXNPFEDSA-N 1 2 338.854 3.389 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH]c3cc(C)ccc23)C1 ZINC001033493216 1341845761 /nfs/dbraw/zinc/84/57/61/1341845761.db2.gz DUEHECDKSQSTON-INIZCTEOSA-N 1 2 345.874 3.304 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH]c3cc(C)ccc23)C1 ZINC001033493216 1341845764 /nfs/dbraw/zinc/84/57/64/1341845764.db2.gz DUEHECDKSQSTON-INIZCTEOSA-N 1 2 345.874 3.304 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ncc(Cl)cc2Cl)C1 ZINC001033532763 1341861576 /nfs/dbraw/zinc/86/15/76/1341861576.db2.gz UTZAICGIVVKRSP-NSHDSACASA-N 1 2 348.661 3.287 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ncc(Cl)cc2Cl)C1 ZINC001033532763 1341861577 /nfs/dbraw/zinc/86/15/77/1341861577.db2.gz UTZAICGIVVKRSP-NSHDSACASA-N 1 2 348.661 3.287 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(-c3cnco3)c2)C1 ZINC001033551700 1341868155 /nfs/dbraw/zinc/86/81/55/1341868155.db2.gz OWNRAFAJKWWGGL-MRXNPFEDSA-N 1 2 345.830 3.240 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(-c3cnco3)c2)C1 ZINC001033551700 1341868157 /nfs/dbraw/zinc/86/81/57/1341868157.db2.gz OWNRAFAJKWWGGL-MRXNPFEDSA-N 1 2 345.830 3.240 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(OC)c(Cl)c2)C1 ZINC001033647944 1341928046 /nfs/dbraw/zinc/92/80/46/1341928046.db2.gz HUJYFGPJCKIEGB-ZDUSSCGKSA-N 1 2 343.254 3.247 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(OC)c(Cl)c2)C1 ZINC001033647944 1341928047 /nfs/dbraw/zinc/92/80/47/1341928047.db2.gz HUJYFGPJCKIEGB-ZDUSSCGKSA-N 1 2 343.254 3.247 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2ccc3c(c2)CCC3)C1 ZINC001033650753 1341928706 /nfs/dbraw/zinc/92/87/06/1341928706.db2.gz UYAGXXYUQALPMX-SFHVURJKSA-N 1 2 332.875 3.003 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc3c(c2)CCC3)C1 ZINC001033650753 1341928708 /nfs/dbraw/zinc/92/87/08/1341928708.db2.gz UYAGXXYUQALPMX-SFHVURJKSA-N 1 2 332.875 3.003 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC001033715664 1341973588 /nfs/dbraw/zinc/97/35/88/1341973588.db2.gz PBLCSDNLYVQCNT-ZDUSSCGKSA-N 1 2 335.810 3.206 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC001033715664 1341973590 /nfs/dbraw/zinc/97/35/90/1341973590.db2.gz PBLCSDNLYVQCNT-ZDUSSCGKSA-N 1 2 335.810 3.206 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(C)c(OC)c2)C1 ZINC001033888247 1342061496 /nfs/dbraw/zinc/06/14/96/1342061496.db2.gz AUUNAMVUBGICSG-INIZCTEOSA-N 1 2 336.863 3.293 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C)c(OC)c2)C1 ZINC001033888247 1342061498 /nfs/dbraw/zinc/06/14/98/1342061498.db2.gz AUUNAMVUBGICSG-INIZCTEOSA-N 1 2 336.863 3.293 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3[nH]ccc3c2)C1 ZINC001033942969 1342104005 /nfs/dbraw/zinc/10/40/05/1342104005.db2.gz OAWMDMKIOVRUGN-INIZCTEOSA-N 1 2 331.847 3.457 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3[nH]ccc3c2)C1 ZINC001033942969 1342104008 /nfs/dbraw/zinc/10/40/08/1342104008.db2.gz OAWMDMKIOVRUGN-INIZCTEOSA-N 1 2 331.847 3.457 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc3[nH]ccc32)C1 ZINC001033962737 1342115209 /nfs/dbraw/zinc/11/52/09/1342115209.db2.gz ZBWPKCOGFGEAJK-CQSZACIVSA-N 1 2 331.847 3.457 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc3[nH]ccc32)C1 ZINC001033962737 1342115213 /nfs/dbraw/zinc/11/52/13/1342115213.db2.gz ZBWPKCOGFGEAJK-CQSZACIVSA-N 1 2 331.847 3.457 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(C(F)F)nc2)C1 ZINC001034240524 1342341084 /nfs/dbraw/zinc/34/10/84/1342341084.db2.gz QVGZIJDGRRAEPE-ZDUSSCGKSA-N 1 2 343.805 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C(F)F)nc2)C1 ZINC001034240524 1342341085 /nfs/dbraw/zinc/34/10/85/1342341085.db2.gz QVGZIJDGRRAEPE-ZDUSSCGKSA-N 1 2 343.805 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cnoc2-c2ccco2)C1 ZINC001034274157 1342366537 /nfs/dbraw/zinc/36/65/37/1342366537.db2.gz KHRADIIXEXSTDU-CYBMUJFWSA-N 1 2 349.818 3.271 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cnoc2-c2ccco2)C1 ZINC001034274157 1342366540 /nfs/dbraw/zinc/36/65/40/1342366540.db2.gz KHRADIIXEXSTDU-CYBMUJFWSA-N 1 2 349.818 3.271 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(OC)cc2F)C1 ZINC001034294722 1342377755 /nfs/dbraw/zinc/37/77/55/1342377755.db2.gz CVCUIARHSSDSIJ-CYBMUJFWSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(OC)cc2F)C1 ZINC001034294722 1342377759 /nfs/dbraw/zinc/37/77/59/1342377759.db2.gz CVCUIARHSSDSIJ-CYBMUJFWSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)C2(C)CCC2)C1 ZINC001034352030 1342422142 /nfs/dbraw/zinc/42/21/42/1342422142.db2.gz MYWIRKOKSQMKFB-CYBMUJFWSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)C2(C)CCC2)C1 ZINC001034352030 1342422144 /nfs/dbraw/zinc/42/21/44/1342422144.db2.gz MYWIRKOKSQMKFB-CYBMUJFWSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@@H+](Cc3ncc(C)s3)C2)C1 ZINC001034389690 1342459481 /nfs/dbraw/zinc/45/94/81/1342459481.db2.gz UEYNLIPSORMUTH-HNNXBMFYSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@H+](Cc3ncc(C)s3)C2)C1 ZINC001034389690 1342459485 /nfs/dbraw/zinc/45/94/85/1342459485.db2.gz UEYNLIPSORMUTH-HNNXBMFYSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc3ccc(F)cc3s2)C1 ZINC001035432068 1343091901 /nfs/dbraw/zinc/09/19/01/1343091901.db2.gz QKOHTGRMOAEFSE-OAHLLOKOSA-N 1 2 348.443 3.047 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc3ccc(F)cc3s2)C1 ZINC001035432068 1343091902 /nfs/dbraw/zinc/09/19/02/1343091902.db2.gz QKOHTGRMOAEFSE-OAHLLOKOSA-N 1 2 348.443 3.047 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc3cccc(Cl)c3o2)C1 ZINC001035622778 1343105578 /nfs/dbraw/zinc/10/55/78/1343105578.db2.gz XNYOBYALMQBGOJ-CQSZACIVSA-N 1 2 348.830 3.093 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc3cccc(Cl)c3o2)C1 ZINC001035622778 1343105580 /nfs/dbraw/zinc/10/55/80/1343105580.db2.gz XNYOBYALMQBGOJ-CQSZACIVSA-N 1 2 348.830 3.093 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C1(C(C)(F)F)CC1)CC2 ZINC001035797789 1343203446 /nfs/dbraw/zinc/20/34/46/1343203446.db2.gz GXPUOWCSPVTCHK-UHFFFAOYSA-N 1 2 332.822 3.099 20 30 EGEDLO CC(C)c1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)cn1 ZINC001038349312 1344391317 /nfs/dbraw/zinc/39/13/17/1344391317.db2.gz KIOHSRDVDWVNJI-LJQANCHMSA-N 1 2 348.450 3.081 20 30 EGEDLO CC(C)c1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)cn1 ZINC001038349312 1344391320 /nfs/dbraw/zinc/39/13/20/1344391320.db2.gz KIOHSRDVDWVNJI-LJQANCHMSA-N 1 2 348.450 3.081 20 30 EGEDLO CC(C)c1ccoc1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001038628299 1344510833 /nfs/dbraw/zinc/51/08/33/1344510833.db2.gz OUTZROXXWZJKJG-QGZVFWFLSA-N 1 2 337.423 3.279 20 30 EGEDLO CC(C)c1ccoc1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001038628299 1344510835 /nfs/dbraw/zinc/51/08/35/1344510835.db2.gz OUTZROXXWZJKJG-QGZVFWFLSA-N 1 2 337.423 3.279 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccoc2C2CC2)c1 ZINC001038626573 1344511025 /nfs/dbraw/zinc/51/10/25/1344511025.db2.gz QQUYDUAFLPJYJF-KRWDZBQOSA-N 1 2 335.407 3.033 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccoc2C2CC2)c1 ZINC001038626573 1344511027 /nfs/dbraw/zinc/51/10/27/1344511027.db2.gz QQUYDUAFLPJYJF-KRWDZBQOSA-N 1 2 335.407 3.033 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(Cl)c1 ZINC001038809000 1344591696 /nfs/dbraw/zinc/59/16/96/1344591696.db2.gz VRPSIQCRCCVFPC-BZSNNMDCSA-N 1 2 348.874 3.012 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(Cl)c1 ZINC001038809000 1344591700 /nfs/dbraw/zinc/59/17/00/1344591700.db2.gz VRPSIQCRCCVFPC-BZSNNMDCSA-N 1 2 348.874 3.012 20 30 EGEDLO CCc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)cc1 ZINC001038973340 1344689168 /nfs/dbraw/zinc/68/91/68/1344689168.db2.gz QBBLEZNSZBVHHQ-INIZCTEOSA-N 1 2 339.464 3.186 20 30 EGEDLO CCc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)cc1 ZINC001038973340 1344689170 /nfs/dbraw/zinc/68/91/70/1344689170.db2.gz QBBLEZNSZBVHHQ-INIZCTEOSA-N 1 2 339.464 3.186 20 30 EGEDLO Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)c1C ZINC001038980506 1344694631 /nfs/dbraw/zinc/69/46/31/1344694631.db2.gz YFQSHMVLLAWZOX-HNNXBMFYSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1cccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)c1C ZINC001038980506 1344694636 /nfs/dbraw/zinc/69/46/36/1344694636.db2.gz YFQSHMVLLAWZOX-HNNXBMFYSA-N 1 2 339.464 3.241 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2coc3ccccc23)c1 ZINC001039075961 1344756378 /nfs/dbraw/zinc/75/63/78/1344756378.db2.gz GHWSCZCGSCHSOA-KRWDZBQOSA-N 1 2 345.402 3.309 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2coc3ccccc23)c1 ZINC001039075961 1344756379 /nfs/dbraw/zinc/75/63/79/1344756379.db2.gz GHWSCZCGSCHSOA-KRWDZBQOSA-N 1 2 345.402 3.309 20 30 EGEDLO Cc1cccc(F)c1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001039083677 1344760196 /nfs/dbraw/zinc/76/01/96/1344760196.db2.gz BRWLDAFUYBCKET-QGZVFWFLSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cccc(F)c1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001039083677 1344760200 /nfs/dbraw/zinc/76/02/00/1344760200.db2.gz BRWLDAFUYBCKET-QGZVFWFLSA-N 1 2 337.398 3.010 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccoc1 ZINC001039332881 1345018819 /nfs/dbraw/zinc/01/88/19/1345018819.db2.gz CJEXYBHOJYUXMP-MOPGFXCFSA-N 1 2 335.407 3.030 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccoc1 ZINC001039332881 1345018821 /nfs/dbraw/zinc/01/88/21/1345018821.db2.gz CJEXYBHOJYUXMP-MOPGFXCFSA-N 1 2 335.407 3.030 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C(C)(F)F)CC1 ZINC001039436912 1345066977 /nfs/dbraw/zinc/06/69/77/1345066977.db2.gz NHOBIFDVBLTSFB-OLZOCXBDSA-N 1 2 332.822 3.240 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C(C)(F)F)CC1 ZINC001039436912 1345066979 /nfs/dbraw/zinc/06/69/79/1345066979.db2.gz NHOBIFDVBLTSFB-OLZOCXBDSA-N 1 2 332.822 3.240 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1cccnc1 ZINC001039460304 1345079205 /nfs/dbraw/zinc/07/92/05/1345079205.db2.gz JWSHDQCBTXEJQR-OIISXLGYSA-N 1 2 333.863 3.003 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1cccnc1 ZINC001039460304 1345079208 /nfs/dbraw/zinc/07/92/08/1345079208.db2.gz JWSHDQCBTXEJQR-OIISXLGYSA-N 1 2 333.863 3.003 20 30 EGEDLO CC1(C)C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001039546100 1345139679 /nfs/dbraw/zinc/13/96/79/1345139679.db2.gz SNJWJDOKGXAXGW-OTWHNJEPSA-N 1 2 337.467 3.170 20 30 EGEDLO CC1(C)C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001039546100 1345139683 /nfs/dbraw/zinc/13/96/83/1345139683.db2.gz SNJWJDOKGXAXGW-OTWHNJEPSA-N 1 2 337.467 3.170 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](CNc2cc[nH+]c(C)n2)[C@@H](C)C1 ZINC001040440405 1345501392 /nfs/dbraw/zinc/50/13/92/1345501392.db2.gz VKBWBKSTJHRNRH-GOEBONIOSA-N 1 2 330.476 3.284 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(CC[N@@H+]([C@@H](C)c3csnn3)C2)C1 ZINC001041536548 1345755330 /nfs/dbraw/zinc/75/53/30/1345755330.db2.gz PGGBJFNKNIBTFM-KBXCAEBGSA-N 1 2 348.516 3.126 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(CC[N@H+]([C@@H](C)c3csnn3)C2)C1 ZINC001041536548 1345755332 /nfs/dbraw/zinc/75/53/32/1345755332.db2.gz PGGBJFNKNIBTFM-KBXCAEBGSA-N 1 2 348.516 3.126 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4cnccc4o3)C[C@@H]21 ZINC001042135029 1345952749 /nfs/dbraw/zinc/95/27/49/1345952749.db2.gz SLIXRBNMWRKANE-HIFRSBDPSA-N 1 2 345.830 3.117 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc4cnccc4o3)C[C@@H]21 ZINC001042135029 1345952751 /nfs/dbraw/zinc/95/27/51/1345952751.db2.gz SLIXRBNMWRKANE-HIFRSBDPSA-N 1 2 345.830 3.117 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CCCCCC2)C1 ZINC001079484375 1357273944 /nfs/dbraw/zinc/27/39/44/1357273944.db2.gz KCRMOAKKPVSPNM-IUODEOHRSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CCCCCC2)C1 ZINC001079484375 1357273948 /nfs/dbraw/zinc/27/39/48/1357273948.db2.gz KCRMOAKKPVSPNM-IUODEOHRSA-N 1 2 343.309 3.302 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001043432499 1346176502 /nfs/dbraw/zinc/17/65/02/1346176502.db2.gz ZMORUKZEIXXIJC-CXAGYDPISA-N 1 2 342.487 3.135 20 30 EGEDLO C=C1CCC(C(=O)N(C)C2C[NH+](CC[C@H]3CC3(Cl)Cl)C2)CC1 ZINC001043759229 1346204579 /nfs/dbraw/zinc/20/45/79/1346204579.db2.gz GKZRGHXMWBRPQI-AWEZNQCLSA-N 1 2 345.314 3.459 20 30 EGEDLO C=C1CCC(C(=O)N(C)C2C[NH+](Cc3cc(C)ccc3OC)C2)CC1 ZINC001043758893 1346204814 /nfs/dbraw/zinc/20/48/14/1346204814.db2.gz BPPDBHWIQUEPAZ-UHFFFAOYSA-N 1 2 342.483 3.393 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)c2coc(C)c2)CC1 ZINC001045411356 1346587587 /nfs/dbraw/zinc/58/75/87/1346587587.db2.gz BKSIFRHHZVLKLJ-UHFFFAOYSA-N 1 2 341.249 3.081 20 30 EGEDLO CC(C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1C#N ZINC001045700648 1346671453 /nfs/dbraw/zinc/67/14/53/1346671453.db2.gz DEVATSFHYFEHFZ-MOPGFXCFSA-N 1 2 343.446 3.309 20 30 EGEDLO CC(C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1C#N ZINC001045700648 1346671457 /nfs/dbraw/zinc/67/14/57/1346671457.db2.gz DEVATSFHYFEHFZ-MOPGFXCFSA-N 1 2 343.446 3.309 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ocnc2-c2ccccc2)C1 ZINC001046369592 1346951802 /nfs/dbraw/zinc/95/18/02/1346951802.db2.gz VZTOVZILCSCAOC-SFHVURJKSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ocnc2-c2ccccc2)C1 ZINC001046369592 1346951803 /nfs/dbraw/zinc/95/18/03/1346951803.db2.gz VZTOVZILCSCAOC-SFHVURJKSA-N 1 2 345.830 3.288 20 30 EGEDLO CCc1ccc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3C#N)C2)o1 ZINC001046423592 1346972474 /nfs/dbraw/zinc/97/24/74/1346972474.db2.gz MIBDYYNRHASWQD-FQEVSTJZSA-N 1 2 337.423 3.108 20 30 EGEDLO CCc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3C#N)C2)o1 ZINC001046423592 1346972476 /nfs/dbraw/zinc/97/24/76/1346972476.db2.gz MIBDYYNRHASWQD-FQEVSTJZSA-N 1 2 337.423 3.108 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc3cc(C)ccc3n2)C1 ZINC001046473950 1346987259 /nfs/dbraw/zinc/98/72/59/1346987259.db2.gz RQHBRJAGRADMHQ-LJQANCHMSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3cc(C)ccc3n2)C1 ZINC001046473950 1346987261 /nfs/dbraw/zinc/98/72/61/1346987261.db2.gz RQHBRJAGRADMHQ-LJQANCHMSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cccc(Cl)c2F)C1 ZINC001046590037 1347029502 /nfs/dbraw/zinc/02/95/02/1347029502.db2.gz BMHJNLJRTLAFRX-OAHLLOKOSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(Cl)c2F)C1 ZINC001046590037 1347029505 /nfs/dbraw/zinc/02/95/05/1347029505.db2.gz BMHJNLJRTLAFRX-OAHLLOKOSA-N 1 2 331.218 3.426 20 30 EGEDLO CCc1ccoc1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046595313 1347031477 /nfs/dbraw/zinc/03/14/77/1347031477.db2.gz DUCUACJOJZKQRB-FQEVSTJZSA-N 1 2 337.423 3.108 20 30 EGEDLO CCc1ccoc1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046595313 1347031480 /nfs/dbraw/zinc/03/14/80/1347031480.db2.gz DUCUACJOJZKQRB-FQEVSTJZSA-N 1 2 337.423 3.108 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C1 ZINC001046691878 1347064158 /nfs/dbraw/zinc/06/41/58/1347064158.db2.gz ZTGGIFKFEQNIHK-YQVWRLOYSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C1 ZINC001046691878 1347064159 /nfs/dbraw/zinc/06/41/59/1347064159.db2.gz ZTGGIFKFEQNIHK-YQVWRLOYSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C)cc2)C1 ZINC001046793319 1347106514 /nfs/dbraw/zinc/10/65/14/1347106514.db2.gz IBOSFRRBBQYFQF-MRXNPFEDSA-N 1 2 337.261 3.098 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C)cc2)C1 ZINC001046793319 1347106515 /nfs/dbraw/zinc/10/65/15/1347106515.db2.gz IBOSFRRBBQYFQF-MRXNPFEDSA-N 1 2 337.261 3.098 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC23CC3)C1 ZINC001046952377 1347161534 /nfs/dbraw/zinc/16/15/34/1347161534.db2.gz REFYPOWCYAGIPF-KBPBESRZSA-N 1 2 346.849 3.393 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC23CC3)C1 ZINC001046952377 1347161536 /nfs/dbraw/zinc/16/15/36/1347161536.db2.gz REFYPOWCYAGIPF-KBPBESRZSA-N 1 2 346.849 3.393 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CCCC1 ZINC001049279696 1347767431 /nfs/dbraw/zinc/76/74/31/1347767431.db2.gz JTARPKCFBBHOQQ-GJZGRUSLSA-N 1 2 341.293 3.151 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CCCC1 ZINC001049279696 1347767433 /nfs/dbraw/zinc/76/74/33/1347767433.db2.gz JTARPKCFBBHOQQ-GJZGRUSLSA-N 1 2 341.293 3.151 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1scnc1CC ZINC001049510351 1347885270 /nfs/dbraw/zinc/88/52/70/1347885270.db2.gz FOTSZPOXWREJKQ-KGLIPLIRSA-N 1 2 339.892 3.137 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1scnc1CC ZINC001049510351 1347885272 /nfs/dbraw/zinc/88/52/72/1347885272.db2.gz FOTSZPOXWREJKQ-KGLIPLIRSA-N 1 2 339.892 3.137 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)CC ZINC001049681130 1347970181 /nfs/dbraw/zinc/97/01/81/1347970181.db2.gz MTMMLNUQYLYQCK-UONOGXRCSA-N 1 2 343.309 3.397 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)CC ZINC001049681130 1347970183 /nfs/dbraw/zinc/97/01/83/1347970183.db2.gz MTMMLNUQYLYQCK-UONOGXRCSA-N 1 2 343.309 3.397 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1nccs1 ZINC001049692620 1347974896 /nfs/dbraw/zinc/97/48/96/1347974896.db2.gz HULLCQOYEBBTIJ-RVKKMQEKSA-N 1 2 333.501 3.311 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1nccs1 ZINC001049692620 1347974897 /nfs/dbraw/zinc/97/48/97/1347974897.db2.gz HULLCQOYEBBTIJ-RVKKMQEKSA-N 1 2 333.501 3.311 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cscn1 ZINC001049699626 1347979285 /nfs/dbraw/zinc/97/92/85/1347979285.db2.gz KRNLSRWCVPXPPB-LZLYRXPVSA-N 1 2 333.501 3.311 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1cscn1 ZINC001049699626 1347979286 /nfs/dbraw/zinc/97/92/86/1347979286.db2.gz KRNLSRWCVPXPPB-LZLYRXPVSA-N 1 2 333.501 3.311 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1coc(C)n1 ZINC001049700582 1347979960 /nfs/dbraw/zinc/97/99/60/1347979960.db2.gz XJLHRNKYFBMNCA-JENIJYKNSA-N 1 2 331.460 3.151 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1coc(C)n1 ZINC001049700582 1347979963 /nfs/dbraw/zinc/97/99/63/1347979963.db2.gz XJLHRNKYFBMNCA-JENIJYKNSA-N 1 2 331.460 3.151 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(CC)CC1 ZINC001049705853 1347982745 /nfs/dbraw/zinc/98/27/45/1347982745.db2.gz WOMOONBXQOFNIF-KGLIPLIRSA-N 1 2 341.293 3.151 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(CC)CC1 ZINC001049705853 1347982747 /nfs/dbraw/zinc/98/27/47/1347982747.db2.gz WOMOONBXQOFNIF-KGLIPLIRSA-N 1 2 341.293 3.151 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccccc3)[C@@H]2C1 ZINC001049958173 1348132550 /nfs/dbraw/zinc/13/25/50/1348132550.db2.gz CXAROJSFIPITTR-JKSUJKDBSA-N 1 2 349.272 3.132 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H]2CCCN(C(=O)c3ccccc3)[C@@H]2C1 ZINC001049958173 1348132551 /nfs/dbraw/zinc/13/25/51/1348132551.db2.gz CXAROJSFIPITTR-JKSUJKDBSA-N 1 2 349.272 3.132 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](CC)CC1CCCCC1)CCO2 ZINC001053456337 1349037313 /nfs/dbraw/zinc/03/73/13/1349037313.db2.gz NWCIFZBDHYTUPZ-IBGZPJMESA-N 1 2 348.531 3.472 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1CCCC(C)(C)C1)CCO2 ZINC001053506892 1349049951 /nfs/dbraw/zinc/04/99/51/1349049951.db2.gz UMBVDAXHVZFGRI-KRWDZBQOSA-N 1 2 334.504 3.082 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccc(Cl)c1C)O2 ZINC001053604009 1349075017 /nfs/dbraw/zinc/07/50/17/1349075017.db2.gz VEBBXHOJRTUSMD-OAHLLOKOSA-N 1 2 348.874 3.188 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCC3(C[NH+](CC=C(C)C)C3)O2)CC1 ZINC001053657696 1349087561 /nfs/dbraw/zinc/08/75/61/1349087561.db2.gz LHQXIOMWPXJUDJ-GOSISDBHSA-N 1 2 332.488 3.049 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCCC1(C)C)O2 ZINC001053701425 1349098691 /nfs/dbraw/zinc/09/86/91/1349098691.db2.gz VCMQHPOTTYCIJS-SJORKVTESA-N 1 2 334.504 3.129 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H]1CCCC(C)(C)C1)CO2 ZINC001053979632 1349127099 /nfs/dbraw/zinc/12/70/99/1349127099.db2.gz UXDPXCGNEGYNKS-IAGOWNOFSA-N 1 2 334.504 3.129 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1CCCC(C)(C)C1)CO2 ZINC001053979633 1349127670 /nfs/dbraw/zinc/12/76/70/1349127670.db2.gz UXDPXCGNEGYNKS-IRXDYDNUSA-N 1 2 334.504 3.129 20 30 EGEDLO O=C(NCc1ccc2c(c1)C[N@@H+](CC#Cc1ccccc1)C2)C1CCC1 ZINC001054252621 1349247694 /nfs/dbraw/zinc/24/76/94/1349247694.db2.gz UHCAQFRLIPHLIE-UHFFFAOYSA-N 1 2 344.458 3.470 20 30 EGEDLO O=C(NCc1ccc2c(c1)C[N@H+](CC#Cc1ccccc1)C2)C1CCC1 ZINC001054252621 1349247697 /nfs/dbraw/zinc/24/76/97/1349247697.db2.gz UHCAQFRLIPHLIE-UHFFFAOYSA-N 1 2 344.458 3.470 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cccc(OCCC)c3)cc2C1 ZINC001054267347 1349264756 /nfs/dbraw/zinc/26/47/56/1349264756.db2.gz OOAJMRLZZRJYJL-UHFFFAOYSA-N 1 2 348.446 3.354 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cccc(OCCC)c3)cc2C1 ZINC001054267347 1349264759 /nfs/dbraw/zinc/26/47/59/1349264759.db2.gz OOAJMRLZZRJYJL-UHFFFAOYSA-N 1 2 348.446 3.354 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc4nc(C)oc4c3)cc2C1 ZINC001054267673 1349265871 /nfs/dbraw/zinc/26/58/71/1349265871.db2.gz DFOXSOXQNKVCHF-UHFFFAOYSA-N 1 2 345.402 3.015 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc4nc(C)oc4c3)cc2C1 ZINC001054267673 1349265874 /nfs/dbraw/zinc/26/58/74/1349265874.db2.gz DFOXSOXQNKVCHF-UHFFFAOYSA-N 1 2 345.402 3.015 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc(Cl)cc3F)cc2C1 ZINC001054272913 1349272049 /nfs/dbraw/zinc/27/20/49/1349272049.db2.gz KMODTIGYLHMVQW-UHFFFAOYSA-N 1 2 342.801 3.358 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc(Cl)cc3F)cc2C1 ZINC001054272913 1349272051 /nfs/dbraw/zinc/27/20/51/1349272051.db2.gz KMODTIGYLHMVQW-UHFFFAOYSA-N 1 2 342.801 3.358 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3c(C)[nH]c4ccccc43)cc2C1 ZINC001054273518 1349272785 /nfs/dbraw/zinc/27/27/85/1349272785.db2.gz ODLQYIDGBFZAOL-UHFFFAOYSA-N 1 2 343.430 3.355 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3c(C)[nH]c4ccccc43)cc2C1 ZINC001054273518 1349272792 /nfs/dbraw/zinc/27/27/92/1349272792.db2.gz ODLQYIDGBFZAOL-UHFFFAOYSA-N 1 2 343.430 3.355 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc(Cl)c(F)c3)cc2C1 ZINC001054283425 1349284522 /nfs/dbraw/zinc/28/45/22/1349284522.db2.gz ACKXSSMDEKUJGL-UHFFFAOYSA-N 1 2 342.801 3.358 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc(Cl)c(F)c3)cc2C1 ZINC001054283425 1349284524 /nfs/dbraw/zinc/28/45/24/1349284524.db2.gz ACKXSSMDEKUJGL-UHFFFAOYSA-N 1 2 342.801 3.358 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cccc4c3ccn4C)cc2C1 ZINC001054285945 1349288080 /nfs/dbraw/zinc/28/80/80/1349288080.db2.gz ISQKDWUHBABORX-UHFFFAOYSA-N 1 2 343.430 3.057 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cccc4c3ccn4C)cc2C1 ZINC001054285945 1349288085 /nfs/dbraw/zinc/28/80/85/1349288085.db2.gz ISQKDWUHBABORX-UHFFFAOYSA-N 1 2 343.430 3.057 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](CNc2cc[nH+]c(C)n2)[C@H](C)C1 ZINC001054453012 1349363898 /nfs/dbraw/zinc/36/38/98/1349363898.db2.gz GQXFXYAJAYZDBE-BXUZGUMPSA-N 1 2 336.867 3.070 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001056767712 1349934305 /nfs/dbraw/zinc/93/43/05/1349934305.db2.gz KGMQDEXFHUAIJR-BEFAXECRSA-N 1 2 328.460 3.278 20 30 EGEDLO C=C1CC(C)(C(=O)NC2CCN(c3cc(C)[nH+]c(C4CC4)n3)CC2)C1 ZINC001057939390 1350164138 /nfs/dbraw/zinc/16/41/38/1350164138.db2.gz RBHYMCFZBFQPST-UHFFFAOYSA-N 1 2 340.471 3.104 20 30 EGEDLO C#Cc1ccc(C(=O)N2CCCC[C@H]2[C@H](C)Nc2cc[nH+]c(C)n2)cc1 ZINC001058021741 1350190806 /nfs/dbraw/zinc/19/08/06/1350190806.db2.gz OYFPSJIDBRIXLX-KXBFYZLASA-N 1 2 348.450 3.262 20 30 EGEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccsc2I)CC1 ZINC001233150422 1376575541 /nfs/dbraw/zinc/57/55/41/1376575541.db2.gz YCKYZIWDWWFCNA-SNVBAGLBSA-N 1 2 346.237 3.478 20 30 EGEDLO N#C[C@@H]1CCC[N@H+](Cc2ccsc2I)CC1 ZINC001233150422 1376575542 /nfs/dbraw/zinc/57/55/42/1376575542.db2.gz YCKYZIWDWWFCNA-SNVBAGLBSA-N 1 2 346.237 3.478 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001059052511 1350350745 /nfs/dbraw/zinc/35/07/45/1350350745.db2.gz KGMQDEXFHUAIJR-KXBFYZLASA-N 1 2 328.460 3.278 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CC[C@H](Nc3cc[nH+]c(C)n3)[C@H]2C1 ZINC001060541465 1350960371 /nfs/dbraw/zinc/96/03/71/1350960371.db2.gz PJOCKSQWWXZVJG-KKUMJFAQSA-N 1 2 348.878 3.213 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3cccc(OC)c3o2)C1 ZINC001080354524 1357582356 /nfs/dbraw/zinc/58/23/56/1357582356.db2.gz VPOGUMGUORONGP-BXUZGUMPSA-N 1 2 348.830 3.244 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3cccc(OC)c3o2)C1 ZINC001080354524 1357582359 /nfs/dbraw/zinc/58/23/59/1357582359.db2.gz VPOGUMGUORONGP-BXUZGUMPSA-N 1 2 348.830 3.244 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(CCN(c3nc(C)[nH+]c(C)c3C)C2)C1 ZINC001064635298 1352650895 /nfs/dbraw/zinc/65/08/95/1352650895.db2.gz GQXVGESTZSKELL-HXUWFJFHSA-N 1 2 342.487 3.043 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nc(C)[nH+]c(C)c1C ZINC001066171696 1352992543 /nfs/dbraw/zinc/99/25/43/1352992543.db2.gz HJWUAIIEKVABCJ-SJORKVTESA-N 1 2 342.487 3.184 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(c3nc(C)[nH+]c(C)c3C)[C@H](C)C2)C1 ZINC001067572502 1353443153 /nfs/dbraw/zinc/44/31/53/1353443153.db2.gz FMUJZUOKCJTMLR-CXAGYDPISA-N 1 2 342.487 3.232 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@H](Nc3cc[nH+]c(C)n3)[C@@H]2C1 ZINC001069315406 1353998248 /nfs/dbraw/zinc/99/82/48/1353998248.db2.gz CIIKFLOZUGOQIT-BBWFWOEESA-N 1 2 342.487 3.426 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CC1CCCC1)C[C@H](C)O2 ZINC001071127382 1354467388 /nfs/dbraw/zinc/46/73/88/1354467388.db2.gz NEOMOZJBLHBSAG-MAUKXSAKSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC1CCCC1)C[C@H](C)O2 ZINC001071127382 1354467391 /nfs/dbraw/zinc/46/73/91/1354467391.db2.gz NEOMOZJBLHBSAG-MAUKXSAKSA-N 1 2 340.895 3.011 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)c2ccoc2)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001071350134 1354617897 /nfs/dbraw/zinc/61/78/97/1354617897.db2.gz QWJVJVJDXMPPNK-CXAGYDPISA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)c2ccoc2)C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001071350134 1354617901 /nfs/dbraw/zinc/61/79/01/1354617901.db2.gz QWJVJVJDXMPPNK-CXAGYDPISA-N 1 2 341.386 3.073 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)c(F)c2)CC[C@@H]1C ZINC001071579776 1354777210 /nfs/dbraw/zinc/77/72/10/1354777210.db2.gz JDSKBGLTSSJBAW-JSGCOSHPSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc(OC)c(F)c2)CC[C@@H]1C ZINC001071579776 1354777212 /nfs/dbraw/zinc/77/72/12/1354777212.db2.gz JDSKBGLTSSJBAW-JSGCOSHPSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccnc(CCC)c2)CC[C@H]1C ZINC001071589128 1354781419 /nfs/dbraw/zinc/78/14/19/1354781419.db2.gz PQLLASRLFMCJIO-RHSMWYFYSA-N 1 2 335.879 3.369 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccnc(CCC)c2)CC[C@H]1C ZINC001071589128 1354781424 /nfs/dbraw/zinc/78/14/24/1354781424.db2.gz PQLLASRLFMCJIO-RHSMWYFYSA-N 1 2 335.879 3.369 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cccc(COC)c2)CC[C@@H]1C ZINC001071658687 1354831087 /nfs/dbraw/zinc/83/10/87/1354831087.db2.gz GJSYIUBIZFSMJG-WMLDXEAASA-N 1 2 336.863 3.168 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccc(COC)c2)CC[C@@H]1C ZINC001071658687 1354831091 /nfs/dbraw/zinc/83/10/91/1354831091.db2.gz GJSYIUBIZFSMJG-WMLDXEAASA-N 1 2 336.863 3.168 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc(C)c(OC)c2)CC[C@@H]1C ZINC001071664056 1354836131 /nfs/dbraw/zinc/83/61/31/1354836131.db2.gz XGPNZVOOOMKLDY-GOEBONIOSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc(C)c(OC)c2)CC[C@@H]1C ZINC001071664056 1354836135 /nfs/dbraw/zinc/83/61/35/1354836135.db2.gz XGPNZVOOOMKLDY-GOEBONIOSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C(C)(C)C2CCOCC2)CC[C@H]1C ZINC001071665798 1354837392 /nfs/dbraw/zinc/83/73/92/1354837392.db2.gz IDUZEFDXPMFOKF-ZBFHGGJFSA-N 1 2 342.911 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C2CCOCC2)CC[C@H]1C ZINC001071665798 1354837398 /nfs/dbraw/zinc/83/73/98/1354837398.db2.gz IDUZEFDXPMFOKF-ZBFHGGJFSA-N 1 2 342.911 3.161 20 30 EGEDLO C#CCCCC(=O)N[C@@H](C)C[C@@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001089299335 1360318556 /nfs/dbraw/zinc/31/85/56/1360318556.db2.gz TXXZRGXLQGVNRZ-CABCVRRESA-N 1 2 330.476 3.407 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)C2CC3(CC3)C2)CC[C@@H]1C ZINC001071803328 1354946270 /nfs/dbraw/zinc/94/62/70/1354946270.db2.gz KTZYVCPRXJWZMF-JSGCOSHPSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)C2CC3(CC3)C2)CC[C@@H]1C ZINC001071803328 1354946271 /nfs/dbraw/zinc/94/62/71/1354946271.db2.gz KTZYVCPRXJWZMF-JSGCOSHPSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3csc(C)n3)C2)C1 ZINC001071803314 1354946997 /nfs/dbraw/zinc/94/69/97/1354946997.db2.gz KOMHBQWMHLCGHC-ZFWWWQNUSA-N 1 2 333.501 3.277 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3csc(C)n3)C2)C1 ZINC001071803314 1354946999 /nfs/dbraw/zinc/94/69/99/1354946999.db2.gz KOMHBQWMHLCGHC-ZFWWWQNUSA-N 1 2 333.501 3.277 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc3ccccn3c2)CC[C@H]1C ZINC001071859614 1354987393 /nfs/dbraw/zinc/98/73/93/1354987393.db2.gz AULZHCMYAGSKLL-ZBFHGGJFSA-N 1 2 331.847 3.275 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc3ccccn3c2)CC[C@H]1C ZINC001071859614 1354987397 /nfs/dbraw/zinc/98/73/97/1354987397.db2.gz AULZHCMYAGSKLL-ZBFHGGJFSA-N 1 2 331.847 3.275 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2csc(Cl)n2)CC[C@@H]1C ZINC001071966724 1355049404 /nfs/dbraw/zinc/04/94/04/1355049404.db2.gz HKHYVSLWFVPWCH-UWVGGRQHSA-N 1 2 334.272 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2csc(Cl)n2)CC[C@@H]1C ZINC001071966724 1355049406 /nfs/dbraw/zinc/04/94/06/1355049406.db2.gz HKHYVSLWFVPWCH-UWVGGRQHSA-N 1 2 334.272 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cn(C(C)C)nc2C)CC[C@H]1C ZINC001071983052 1355058582 /nfs/dbraw/zinc/05/85/82/1355058582.db2.gz VFFITJKLNMDHST-HIFRSBDPSA-N 1 2 338.883 3.108 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cn(C(C)C)nc2C)CC[C@H]1C ZINC001071983052 1355058585 /nfs/dbraw/zinc/05/85/85/1355058585.db2.gz VFFITJKLNMDHST-HIFRSBDPSA-N 1 2 338.883 3.108 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cnn(C(C)C)c2C)CC[C@H]1C ZINC001071983100 1355059038 /nfs/dbraw/zinc/05/90/38/1355059038.db2.gz WJGDGXGBZXRDTI-HIFRSBDPSA-N 1 2 338.883 3.108 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cnn(C(C)C)c2C)CC[C@H]1C ZINC001071983100 1355059044 /nfs/dbraw/zinc/05/90/44/1355059044.db2.gz WJGDGXGBZXRDTI-HIFRSBDPSA-N 1 2 338.883 3.108 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ncccc2Cl)CC[C@H]1C ZINC001072008330 1355072409 /nfs/dbraw/zinc/07/24/09/1355072409.db2.gz DPZLKHSQEBTBAZ-VXGBXAGGSA-N 1 2 328.243 3.070 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ncccc2Cl)CC[C@H]1C ZINC001072008330 1355072415 /nfs/dbraw/zinc/07/24/15/1355072415.db2.gz DPZLKHSQEBTBAZ-VXGBXAGGSA-N 1 2 328.243 3.070 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cccc3oc(C)nc32)CC[C@@H]1C ZINC001072109060 1355136137 /nfs/dbraw/zinc/13/61/37/1355136137.db2.gz AOPFBCOHAMEOJJ-JSGCOSHPSA-N 1 2 347.846 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cccc3oc(C)nc32)CC[C@@H]1C ZINC001072109060 1355136139 /nfs/dbraw/zinc/13/61/39/1355136139.db2.gz AOPFBCOHAMEOJJ-JSGCOSHPSA-N 1 2 347.846 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc(N(C)CC)cc2)CC[C@H]1C ZINC001072116010 1355140319 /nfs/dbraw/zinc/14/03/19/1355140319.db2.gz GFVCKKJRBUKFFX-WBVHZDCISA-N 1 2 349.906 3.478 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc(N(C)CC)cc2)CC[C@H]1C ZINC001072116010 1355140321 /nfs/dbraw/zinc/14/03/21/1355140321.db2.gz GFVCKKJRBUKFFX-WBVHZDCISA-N 1 2 349.906 3.478 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@H+](Cc1ccn(C(C)C)n1)C2 ZINC001072951563 1355518153 /nfs/dbraw/zinc/51/81/53/1355518153.db2.gz KUABJGMTQLBNLV-LJQANCHMSA-N 1 2 344.503 3.101 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+](Cc1ccn(C(C)C)n1)C2 ZINC001072951563 1355518156 /nfs/dbraw/zinc/51/81/56/1355518156.db2.gz KUABJGMTQLBNLV-LJQANCHMSA-N 1 2 344.503 3.101 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001094711007 1361897739 /nfs/dbraw/zinc/89/77/39/1361897739.db2.gz VRKJEVROJPIDDA-HNNXBMFYSA-N 1 2 330.476 3.184 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCC[N@@H+](Cc3ccc(C)cc3)[C@@H]2C1 ZINC001074314603 1356164730 /nfs/dbraw/zinc/16/47/30/1356164730.db2.gz ILJXKKQRQCRQRA-RTBURBONSA-N 1 2 342.483 3.009 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCC[N@H+](Cc3ccc(C)cc3)[C@@H]2C1 ZINC001074314603 1356164734 /nfs/dbraw/zinc/16/47/34/1356164734.db2.gz ILJXKKQRQCRQRA-RTBURBONSA-N 1 2 342.483 3.009 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C3CCC3)C3CCC3)C[C@H]21 ZINC001074321471 1356168678 /nfs/dbraw/zinc/16/86/78/1356168678.db2.gz KMDQGNYANZHRSA-RTBURBONSA-N 1 2 346.515 3.081 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C(C3CCC3)C3CCC3)C[C@H]21 ZINC001074321471 1356168681 /nfs/dbraw/zinc/16/86/81/1356168681.db2.gz KMDQGNYANZHRSA-RTBURBONSA-N 1 2 346.515 3.081 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)[C@H]3CC[C@H](CC)CC3)C[C@H]21 ZINC001074387103 1356190083 /nfs/dbraw/zinc/19/00/83/1356190083.db2.gz FETMULVFZAQAMY-MKXGPGLRSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)[C@H]3CC[C@H](CC)CC3)C[C@H]21 ZINC001074387103 1356190085 /nfs/dbraw/zinc/19/00/85/1356190085.db2.gz FETMULVFZAQAMY-MKXGPGLRSA-N 1 2 334.504 3.081 20 30 EGEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3sccc3C3CC3)C[C@@H]21 ZINC001074398218 1356193403 /nfs/dbraw/zinc/19/34/03/1356193403.db2.gz UPZPWUGDZVOFNW-IRXDYDNUSA-N 1 2 346.496 3.117 20 30 EGEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3sccc3C3CC3)C[C@@H]21 ZINC001074398218 1356193407 /nfs/dbraw/zinc/19/34/07/1356193407.db2.gz UPZPWUGDZVOFNW-IRXDYDNUSA-N 1 2 346.496 3.117 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C34CC(C(C)(C)C)(C3)C4)C[C@H]21 ZINC001074415265 1356197110 /nfs/dbraw/zinc/19/71/10/1356197110.db2.gz NNNVRHALSHVSPE-FBIZOPLVSA-N 1 2 346.515 3.081 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C34CC(C(C)(C)C)(C3)C4)C[C@H]21 ZINC001074415265 1356197112 /nfs/dbraw/zinc/19/71/12/1356197112.db2.gz NNNVRHALSHVSPE-FBIZOPLVSA-N 1 2 346.515 3.081 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4ccccc4n3C)[C@@H]2C1 ZINC001076189394 1356516075 /nfs/dbraw/zinc/51/60/75/1356516075.db2.gz GPRJDBULVLAZJC-MAUKXSAKSA-N 1 2 343.858 3.077 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4ccccc4n3C)[C@@H]2C1 ZINC001076189394 1356516077 /nfs/dbraw/zinc/51/60/77/1356516077.db2.gz GPRJDBULVLAZJC-MAUKXSAKSA-N 1 2 343.858 3.077 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(CCOC)CC1 ZINC001099107337 1363626529 /nfs/dbraw/zinc/62/65/29/1363626529.db2.gz XVDMAEWCNZJPBT-OAHLLOKOSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(CCOC)CC1 ZINC001099107337 1363626532 /nfs/dbraw/zinc/62/65/32/1363626532.db2.gz XVDMAEWCNZJPBT-OAHLLOKOSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c(s2)CCCC3)C1 ZINC001080892641 1357759878 /nfs/dbraw/zinc/75/98/78/1357759878.db2.gz JUAHAZWCDXHAGA-BXUZGUMPSA-N 1 2 338.904 3.430 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c(s2)CCCC3)C1 ZINC001080892641 1357759881 /nfs/dbraw/zinc/75/98/81/1357759881.db2.gz JUAHAZWCDXHAGA-BXUZGUMPSA-N 1 2 338.904 3.430 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)cs3)C[C@H]21 ZINC001084574204 1358241854 /nfs/dbraw/zinc/24/18/54/1358241854.db2.gz VKRQSSZQQPSJKH-HUUCEWRRSA-N 1 2 333.501 3.087 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)cs3)C[C@H]21 ZINC001084574204 1358241860 /nfs/dbraw/zinc/24/18/60/1358241860.db2.gz VKRQSSZQQPSJKH-HUUCEWRRSA-N 1 2 333.501 3.087 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(F)cc(F)c3)C[C@H]21 ZINC001084578060 1358242501 /nfs/dbraw/zinc/24/25/01/1358242501.db2.gz ICFQMALVVVDJFN-RHSMWYFYSA-N 1 2 334.410 3.210 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3)C[C@H]21 ZINC001084578060 1358242503 /nfs/dbraw/zinc/24/25/03/1358242503.db2.gz ICFQMALVVVDJFN-RHSMWYFYSA-N 1 2 334.410 3.210 20 30 EGEDLO CCC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084622976 1358259198 /nfs/dbraw/zinc/25/91/98/1358259198.db2.gz SBMOMJJDVRYKTB-IEBWSBKVSA-N 1 2 342.458 3.146 20 30 EGEDLO CCC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084622976 1358259201 /nfs/dbraw/zinc/25/92/01/1358259201.db2.gz SBMOMJJDVRYKTB-IEBWSBKVSA-N 1 2 342.458 3.146 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)[C@@H](O)c2ccccc2C2CCCCC2)CC1 ZINC001183653447 1387328725 /nfs/dbraw/zinc/32/87/25/1387328725.db2.gz SIXCWRIRJUAJHP-FQEVSTJZSA-N 1 2 342.483 3.098 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1)C(=O)C1=CCCC1 ZINC001085547232 1358584249 /nfs/dbraw/zinc/58/42/49/1358584249.db2.gz QZFJFJMXQCCKKI-IBGZPJMESA-N 1 2 342.870 3.335 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1)C(=O)C1=CCCC1 ZINC001085547232 1358584252 /nfs/dbraw/zinc/58/42/52/1358584252.db2.gz QZFJFJMXQCCKKI-IBGZPJMESA-N 1 2 342.870 3.335 20 30 EGEDLO Cc1sccc1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001085587027 1358616605 /nfs/dbraw/zinc/61/66/05/1358616605.db2.gz HAGXFBXNMRNCPX-ZDUSSCGKSA-N 1 2 345.493 3.336 20 30 EGEDLO Cc1sccc1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001085587027 1358616607 /nfs/dbraw/zinc/61/66/07/1358616607.db2.gz HAGXFBXNMRNCPX-ZDUSSCGKSA-N 1 2 345.493 3.336 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)C1CC2(CCC2)C1 ZINC001085767706 1358742733 /nfs/dbraw/zinc/74/27/33/1358742733.db2.gz PKWBGYATDSEVAS-IBGZPJMESA-N 1 2 337.467 3.171 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)C1CC2(CCC2)C1 ZINC001085767706 1358742737 /nfs/dbraw/zinc/74/27/37/1358742737.db2.gz PKWBGYATDSEVAS-IBGZPJMESA-N 1 2 337.467 3.171 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1CCCC1(C)C ZINC001085771792 1358744327 /nfs/dbraw/zinc/74/43/27/1358744327.db2.gz KFEHFSQTRVNBLW-PBHICJAKSA-N 1 2 345.512 3.479 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1CCCC1(C)C ZINC001085771792 1358744333 /nfs/dbraw/zinc/74/43/33/1358744333.db2.gz KFEHFSQTRVNBLW-PBHICJAKSA-N 1 2 345.512 3.479 20 30 EGEDLO C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N)c1ccncc1 ZINC001183828755 1387354811 /nfs/dbraw/zinc/35/48/11/1387354811.db2.gz CUZCEAWRBIGNFD-OXJNMPFZSA-N 1 2 348.450 3.185 20 30 EGEDLO C[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N)c1ccncc1 ZINC001183828755 1387354814 /nfs/dbraw/zinc/35/48/14/1387354814.db2.gz CUZCEAWRBIGNFD-OXJNMPFZSA-N 1 2 348.450 3.185 20 30 EGEDLO CC(C)n1cccc1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001085975460 1358929382 /nfs/dbraw/zinc/92/93/82/1358929382.db2.gz WWTVIIRDLFHKTB-FQEVSTJZSA-N 1 2 349.478 3.267 20 30 EGEDLO CC(C)n1cccc1C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001085975460 1358929386 /nfs/dbraw/zinc/92/93/86/1358929386.db2.gz WWTVIIRDLFHKTB-FQEVSTJZSA-N 1 2 349.478 3.267 20 30 EGEDLO N#Cc1cc(NC(=O)CCc2ccc(N)[nH+]c2)ccc1N1CCCCC1 ZINC001183934013 1387373222 /nfs/dbraw/zinc/37/32/22/1387373222.db2.gz DPXFKMXHBAAWEO-UHFFFAOYSA-N 1 2 349.438 3.097 20 30 EGEDLO C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ccns2)C1 ZINC001087465255 1359479481 /nfs/dbraw/zinc/47/94/81/1359479481.db2.gz DCCGEVQWFCNXQE-HZPDHXFCSA-N 1 2 345.443 3.056 20 30 EGEDLO C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ccns2)C1 ZINC001087465255 1359479484 /nfs/dbraw/zinc/47/94/84/1359479484.db2.gz DCCGEVQWFCNXQE-HZPDHXFCSA-N 1 2 345.443 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC=CCC2)[C@H]1CC ZINC001087500294 1359499374 /nfs/dbraw/zinc/49/93/74/1359499374.db2.gz HKIBZBABIAKCEK-SOUVJXGZSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC=CCC2)[C@H]1CC ZINC001087500294 1359499375 /nfs/dbraw/zinc/49/93/75/1359499375.db2.gz HKIBZBABIAKCEK-SOUVJXGZSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2(C)CCCC2)[C@H]1CC ZINC001087676673 1359584519 /nfs/dbraw/zinc/58/45/19/1359584519.db2.gz BBGXPBXKWQLGDO-UONOGXRCSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2(C)CCCC2)[C@H]1CC ZINC001087676673 1359584522 /nfs/dbraw/zinc/58/45/22/1359584522.db2.gz BBGXPBXKWQLGDO-UONOGXRCSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@]2(C)C=CCC2)[C@H]1CC ZINC001087690889 1359593018 /nfs/dbraw/zinc/59/30/18/1359593018.db2.gz VBYOSVMFYGQXHD-LZWOXQAQSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)C=CCC2)[C@H]1CC ZINC001087690889 1359593022 /nfs/dbraw/zinc/59/30/22/1359593022.db2.gz VBYOSVMFYGQXHD-LZWOXQAQSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCCCC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001088374201 1359855757 /nfs/dbraw/zinc/85/57/57/1359855757.db2.gz AZEPVNCBSNSOGB-PBHICJAKSA-N 1 2 336.505 3.001 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nc(C(C)C)oc2C)[C@H]1C ZINC001088564390 1359974506 /nfs/dbraw/zinc/97/45/06/1359974506.db2.gz PMTYGZLWYGMYKL-YPMHNXCESA-N 1 2 325.840 3.052 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nc(C(C)C)oc2C)[C@H]1C ZINC001088564390 1359974507 /nfs/dbraw/zinc/97/45/07/1359974507.db2.gz PMTYGZLWYGMYKL-YPMHNXCESA-N 1 2 325.840 3.052 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccc2-c2cn[nH]c2)[C@H]1C ZINC001088611287 1359991088 /nfs/dbraw/zinc/99/10/88/1359991088.db2.gz JMZWSOMOULCLIT-DYVFJYSZSA-N 1 2 344.846 3.022 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2-c2cn[nH]c2)[C@H]1C ZINC001088611287 1359991090 /nfs/dbraw/zinc/99/10/90/1359991090.db2.gz JMZWSOMOULCLIT-DYVFJYSZSA-N 1 2 344.846 3.022 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)[C@H]1C ZINC001088913491 1360102506 /nfs/dbraw/zinc/10/25/06/1360102506.db2.gz YSKYEVZHMPFWBP-SPUZQDLCSA-N 1 2 332.875 3.430 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)[C@H]1C ZINC001088913491 1360102507 /nfs/dbraw/zinc/10/25/07/1360102507.db2.gz YSKYEVZHMPFWBP-SPUZQDLCSA-N 1 2 332.875 3.430 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc3c2ccn3C)[C@H]1C ZINC001088922936 1360104102 /nfs/dbraw/zinc/10/41/02/1360104102.db2.gz JMYRHSXVXWYOON-CJNGLKHVSA-N 1 2 331.847 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc3c2ccn3C)[C@H]1C ZINC001088922936 1360104105 /nfs/dbraw/zinc/10/41/05/1360104105.db2.gz JMYRHSXVXWYOON-CJNGLKHVSA-N 1 2 331.847 3.123 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089147785 1360203387 /nfs/dbraw/zinc/20/33/87/1360203387.db2.gz UXFPRKUWGMDBQH-CXAGYDPISA-N 1 2 344.503 3.478 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089168237 1360223358 /nfs/dbraw/zinc/22/33/58/1360223358.db2.gz QLFXLLUIGQTWAX-GUYCJALGSA-N 1 2 344.503 3.478 20 30 EGEDLO C=CCCOCC(=O)N[C@H](C)C[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001089341964 1360354821 /nfs/dbraw/zinc/35/48/21/1360354821.db2.gz JECSFLHUUVJQJQ-LSDHHAIUSA-N 1 2 348.491 3.196 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc(C)sn1 ZINC001089632002 1360549314 /nfs/dbraw/zinc/54/93/14/1360549314.db2.gz SOFAQPIFKRIEID-ZDUSSCGKSA-N 1 2 341.908 3.424 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc(C)sn1 ZINC001089632002 1360549317 /nfs/dbraw/zinc/54/93/17/1360549317.db2.gz SOFAQPIFKRIEID-ZDUSSCGKSA-N 1 2 341.908 3.424 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC001089719627 1360621618 /nfs/dbraw/zinc/62/16/18/1360621618.db2.gz HYGMFKONOKSRCJ-HNNXBMFYSA-N 1 2 349.906 3.476 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC001089719627 1360621622 /nfs/dbraw/zinc/62/16/22/1360621622.db2.gz HYGMFKONOKSRCJ-HNNXBMFYSA-N 1 2 349.906 3.476 20 30 EGEDLO C=CCCCC(=O)NCCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001089861112 1360705544 /nfs/dbraw/zinc/70/55/44/1360705544.db2.gz RCSKQSXUHRHERV-UHFFFAOYSA-N 1 2 342.487 3.401 20 30 EGEDLO C#CCCCC(=O)NCCC1(CNc2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001089937683 1360753673 /nfs/dbraw/zinc/75/36/73/1360753673.db2.gz YJSYPDOBXVVMKW-UHFFFAOYSA-N 1 2 342.487 3.410 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@@H](C)CCCCNc1cc[nH+]c(C)n1 ZINC001090160745 1360855180 /nfs/dbraw/zinc/85/51/80/1360855180.db2.gz JHUAQCQRUREONF-HNNXBMFYSA-N 1 2 341.459 3.173 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C12CCC2 ZINC001090619694 1360915796 /nfs/dbraw/zinc/91/57/96/1360915796.db2.gz CLRVXBWDWWCEFY-GJZGRUSLSA-N 1 2 328.460 3.227 20 30 EGEDLO C#CCCCCCC(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091623023 1361161021 /nfs/dbraw/zinc/16/10/21/1361161021.db2.gz GAGPQDGMPIQFHW-DLBZAZTESA-N 1 2 328.460 3.066 20 30 EGEDLO Cc1nc(NCCCCCCN(C)C(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001091737592 1361201926 /nfs/dbraw/zinc/20/19/26/1361201926.db2.gz RVFBGRQQYFDSFF-UHFFFAOYSA-N 1 2 330.476 3.265 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCCC[C@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001092076184 1361290746 /nfs/dbraw/zinc/29/07/46/1361290746.db2.gz CORANNZWZPCCKQ-SJORKVTESA-N 1 2 330.476 3.205 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)CC(C)(C)C1 ZINC001092087853 1361297916 /nfs/dbraw/zinc/29/79/16/1361297916.db2.gz GZNMIWSSBWICAX-DOTOQJQBSA-N 1 2 344.503 3.499 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@]3(C)CCC[C@H]3CC)CC2)C1 ZINC001093546537 1361639544 /nfs/dbraw/zinc/63/95/44/1361639544.db2.gz OIFLZEOJFAUMKO-DYESRHJHSA-N 1 2 348.531 3.471 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3ccc(C)c(Cl)c3)CC2)C1 ZINC001093568157 1361645245 /nfs/dbraw/zinc/64/52/45/1361645245.db2.gz FZEVWZGNKLYMGU-UHFFFAOYSA-N 1 2 348.874 3.140 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3[C@@H]4CCCCCC[C@@H]43)CC2)C1 ZINC001093578294 1361648057 /nfs/dbraw/zinc/64/80/57/1361648057.db2.gz YSQXIYGGEOYPFS-PMOLBWCYSA-N 1 2 346.515 3.081 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@@H]3CCCC(C)(C)C3)CC2)C1 ZINC001093590038 1361650242 /nfs/dbraw/zinc/65/02/42/1361650242.db2.gz CDEWIFGFYXEIEF-KRWDZBQOSA-N 1 2 348.531 3.471 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CC[C@H](C)CC3)CC2)C1 ZINC001093593573 1361651570 /nfs/dbraw/zinc/65/15/70/1361651570.db2.gz JYNVDPMRVCQYPH-QAQDUYKDSA-N 1 2 334.504 3.081 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3CCCCC3(C)C)CC2)C1 ZINC001093599873 1361654660 /nfs/dbraw/zinc/65/46/60/1361654660.db2.gz GMINHLJOIDNMBK-GOSISDBHSA-N 1 2 334.504 3.081 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CC3CCC(C)(C)CC3)CC2)C1 ZINC001093603740 1361656226 /nfs/dbraw/zinc/65/62/26/1361656226.db2.gz NRIHIUNNBJBTJA-UHFFFAOYSA-N 1 2 348.531 3.471 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1)C2 ZINC001095119170 1362019689 /nfs/dbraw/zinc/01/96/89/1362019689.db2.gz VIYHKYCHJIHFKW-AABGKKOBSA-N 1 2 331.419 3.094 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1)C2 ZINC001095119170 1362019693 /nfs/dbraw/zinc/01/96/93/1362019693.db2.gz VIYHKYCHJIHFKW-AABGKKOBSA-N 1 2 331.419 3.094 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095285140 1362083605 /nfs/dbraw/zinc/08/36/05/1362083605.db2.gz PUIRYXUIQDMMON-QGZVFWFLSA-N 1 2 340.471 3.259 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095373238 1362118895 /nfs/dbraw/zinc/11/88/95/1362118895.db2.gz CAMCXMXBHGHJIP-CQSZACIVSA-N 1 2 344.503 3.337 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3scnc31)C2 ZINC001095407135 1362130327 /nfs/dbraw/zinc/13/03/27/1362130327.db2.gz JNNIDFQORLIZKK-XBFCOCLRSA-N 1 2 347.871 3.384 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3scnc31)C2 ZINC001095407135 1362130329 /nfs/dbraw/zinc/13/03/29/1362130329.db2.gz JNNIDFQORLIZKK-XBFCOCLRSA-N 1 2 347.871 3.384 20 30 EGEDLO C=CCOc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl ZINC001095635656 1362192273 /nfs/dbraw/zinc/19/22/73/1362192273.db2.gz MURKRSZITQKYEA-PVAVHDDUSA-N 1 2 346.858 3.339 20 30 EGEDLO C=CCOc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl ZINC001095635656 1362192274 /nfs/dbraw/zinc/19/22/74/1362192274.db2.gz MURKRSZITQKYEA-PVAVHDDUSA-N 1 2 346.858 3.339 20 30 EGEDLO C#CCC1(C(=O)NCCCN(C)c2cc(C)[nH+]c(C(C)C)n2)CCC1 ZINC001095658632 1362197645 /nfs/dbraw/zinc/19/76/45/1362197645.db2.gz ZCVUVKABLVKWFF-UHFFFAOYSA-N 1 2 342.487 3.045 20 30 EGEDLO Cc1nc(N[C@@H](C)[C@H]2CCCCN2C(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001095798583 1362233133 /nfs/dbraw/zinc/23/31/33/1362233133.db2.gz XVVCXEVVKGLTDU-GOEBONIOSA-N 1 2 328.460 3.016 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(c3cccc(F)c3)CC1)C2 ZINC001096099988 1362382451 /nfs/dbraw/zinc/38/24/51/1362382451.db2.gz LXMQCBGCTGSBBA-IKGGRYGDSA-N 1 2 348.849 3.331 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(c3cccc(F)c3)CC1)C2 ZINC001096099988 1362382454 /nfs/dbraw/zinc/38/24/54/1362382454.db2.gz LXMQCBGCTGSBBA-IKGGRYGDSA-N 1 2 348.849 3.331 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1[C@@H]3c4ccccc4C[C@H]13)C2 ZINC001096119709 1362392179 /nfs/dbraw/zinc/39/21/79/1362392179.db2.gz PIOGECLMMIEGHB-OPIBAUODSA-N 1 2 342.870 3.046 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1[C@@H]3c4ccccc4C[C@H]13)C2 ZINC001096119709 1362392181 /nfs/dbraw/zinc/39/21/81/1362392181.db2.gz PIOGECLMMIEGHB-OPIBAUODSA-N 1 2 342.870 3.046 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N(C)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001096124322 1362394977 /nfs/dbraw/zinc/39/49/77/1362394977.db2.gz OIAQQZYPDDRJIB-KBPBESRZSA-N 1 2 344.503 3.287 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096221309 1362438532 /nfs/dbraw/zinc/43/85/32/1362438532.db2.gz NHJPJDHESVHKNL-PBHICJAKSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096222396 1362439824 /nfs/dbraw/zinc/43/98/24/1362439824.db2.gz WHTWPWDMCWXUIN-RDJZCZTQSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3ccn(C)c3c1)C2 ZINC001096284261 1362454560 /nfs/dbraw/zinc/45/45/60/1362454560.db2.gz CYLBDTSBTBRVOS-IKGGRYGDSA-N 1 2 343.858 3.266 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3ccn(C)c3c1)C2 ZINC001096284261 1362454563 /nfs/dbraw/zinc/45/45/63/1362454563.db2.gz CYLBDTSBTBRVOS-IKGGRYGDSA-N 1 2 343.858 3.266 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096466730 1362521933 /nfs/dbraw/zinc/52/19/33/1362521933.db2.gz TUIQIVHGRNQRDR-HOTGVXAUSA-N 1 2 330.476 3.206 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC12CCN(c1cc(C)[nH+]c(C3CC3)n1)CC2 ZINC001096515272 1362546423 /nfs/dbraw/zinc/54/64/23/1362546423.db2.gz NFPNVDJHXQRGBE-INIZCTEOSA-N 1 2 340.471 3.104 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097094958 1362840519 /nfs/dbraw/zinc/84/05/19/1362840519.db2.gz USQBMZJAMMMRAP-WXYCVUISSA-N 1 2 328.460 3.180 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001097243916 1362899492 /nfs/dbraw/zinc/89/94/92/1362899492.db2.gz SDCKTAJTWAYODN-IYBDPMFKSA-N 1 2 328.460 3.161 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C1CCC1 ZINC001097311205 1362924201 /nfs/dbraw/zinc/92/42/01/1362924201.db2.gz WISDBJWHKQTWPZ-PSAKCFHXSA-N 1 2 337.467 3.216 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C1CCC1 ZINC001097311205 1362924204 /nfs/dbraw/zinc/92/42/04/1362924204.db2.gz WISDBJWHKQTWPZ-PSAKCFHXSA-N 1 2 337.467 3.216 20 30 EGEDLO C=CCC1(C(=O)NC[C@H]2CCCN(c3cc[nH+]c(C)n3)C2)CCCC1 ZINC001097313241 1362926055 /nfs/dbraw/zinc/92/60/55/1362926055.db2.gz ZWYYLMFKPHARMD-QGZVFWFLSA-N 1 2 342.487 3.254 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097342198 1362943127 /nfs/dbraw/zinc/94/31/27/1362943127.db2.gz UNTHMSVHDRJONM-MSOLQXFVSA-N 1 2 344.503 3.337 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1CCCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001097462599 1363005035 /nfs/dbraw/zinc/00/50/35/1363005035.db2.gz NGFAIIRZZVQIQS-QGZVFWFLSA-N 1 2 342.487 3.494 20 30 EGEDLO C=CCCC1(C(=O)N2CCCC[C@@H]2CNc2cc[nH+]c(C)n2)CC1 ZINC001097500692 1363023878 /nfs/dbraw/zinc/02/38/78/1363023878.db2.gz WIKZLOZCBWCPBU-MRXNPFEDSA-N 1 2 328.460 3.324 20 30 EGEDLO C#CCCCCCC(=O)N[C@H](C)[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001097545431 1363053041 /nfs/dbraw/zinc/05/30/41/1363053041.db2.gz LVDLVROTETYRHL-AEFFLSMTSA-N 1 2 342.487 3.090 20 30 EGEDLO C=CCCC(=O)N1C[C@@H]2CC[C@@H](Nc3cc(C)[nH+]c(C4CC4)n3)[C@H]2C1 ZINC001097593445 1363063669 /nfs/dbraw/zinc/06/36/69/1363063669.db2.gz MXSBSACTLXTATC-YESZJQIVSA-N 1 2 340.471 3.278 20 30 EGEDLO C=CCCC1(C(=O)NC[C@@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001098243837 1363267517 /nfs/dbraw/zinc/26/75/17/1363267517.db2.gz GUVPORLIKCKNSV-CQSZACIVSA-N 1 2 328.460 3.325 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(c3ccccc3)CC1)C2 ZINC001098330631 1363301169 /nfs/dbraw/zinc/30/11/69/1363301169.db2.gz XAZZVKHVRFJLMX-ZACQAIPSSA-N 1 2 330.859 3.192 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(c3ccccc3)CC1)C2 ZINC001098330631 1363301172 /nfs/dbraw/zinc/30/11/72/1363301172.db2.gz XAZZVKHVRFJLMX-ZACQAIPSSA-N 1 2 330.859 3.192 20 30 EGEDLO Cc1cc(N[C@H]2CCC[C@@H](NC(=O)C#CC(C)C)C2)nc(C2CC2)[nH+]1 ZINC001098620090 1363401743 /nfs/dbraw/zinc/40/17/43/1363401743.db2.gz ALJCCGGWTTZENG-DLBZAZTESA-N 1 2 340.471 3.161 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CCC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001098650777 1363416883 /nfs/dbraw/zinc/41/68/83/1363416883.db2.gz AWYOCZFPSCLBAJ-IAGOWNOFSA-N 1 2 328.460 3.208 20 30 EGEDLO C=CCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ncc(CC)o1 ZINC001098949202 1363535979 /nfs/dbraw/zinc/53/59/79/1363535979.db2.gz PSSPAMLKMCYJAX-HNNXBMFYSA-N 1 2 333.476 3.310 20 30 EGEDLO C=CCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ncc(CC)o1 ZINC001098949202 1363535983 /nfs/dbraw/zinc/53/59/83/1363535983.db2.gz PSSPAMLKMCYJAX-HNNXBMFYSA-N 1 2 333.476 3.310 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1c(F)cccc1F ZINC001098982568 1363555520 /nfs/dbraw/zinc/55/55/20/1363555520.db2.gz LWWPIFBWSYWOIC-ZIAGYGMSSA-N 1 2 349.425 3.231 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1c(F)cccc1F ZINC001098982568 1363555522 /nfs/dbraw/zinc/55/55/22/1363555522.db2.gz LWWPIFBWSYWOIC-ZIAGYGMSSA-N 1 2 349.425 3.231 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nnc(C)o1 ZINC001099093394 1363618382 /nfs/dbraw/zinc/61/83/82/1363618382.db2.gz PQHOGZYKIPDWPP-HNNXBMFYSA-N 1 2 348.491 3.087 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nnc(C)o1 ZINC001099093394 1363618385 /nfs/dbraw/zinc/61/83/85/1363618385.db2.gz PQHOGZYKIPDWPP-HNNXBMFYSA-N 1 2 348.491 3.087 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1cscn1 ZINC001099188051 1363680524 /nfs/dbraw/zinc/68/05/24/1363680524.db2.gz BWCDYWXJZVTOGT-KRWDZBQOSA-N 1 2 347.528 3.444 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1cscn1 ZINC001099188051 1363680526 /nfs/dbraw/zinc/68/05/26/1363680526.db2.gz BWCDYWXJZVTOGT-KRWDZBQOSA-N 1 2 347.528 3.444 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nccn1C ZINC001099213160 1363694264 /nfs/dbraw/zinc/69/42/64/1363694264.db2.gz ADNRWHOKVKGADZ-OXQOHEQNSA-N 1 2 346.519 3.129 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nccn1C ZINC001099213160 1363694266 /nfs/dbraw/zinc/69/42/66/1363694266.db2.gz ADNRWHOKVKGADZ-OXQOHEQNSA-N 1 2 346.519 3.129 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccon1 ZINC001099251611 1363714247 /nfs/dbraw/zinc/71/42/47/1363714247.db2.gz LNOAEYAAJAZPLG-MRXNPFEDSA-N 1 2 333.476 3.384 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccon1 ZINC001099251611 1363714251 /nfs/dbraw/zinc/71/42/51/1363714251.db2.gz LNOAEYAAJAZPLG-MRXNPFEDSA-N 1 2 333.476 3.384 20 30 EGEDLO C#CCC1(C(=O)NCC[C@H](C)Nc2cc[nH+]c(C)n2)CCCCC1 ZINC001099266310 1363722885 /nfs/dbraw/zinc/72/28/85/1363722885.db2.gz CQZJXSTYRRWDPP-HNNXBMFYSA-N 1 2 328.460 3.066 20 30 EGEDLO C#Cc1ccc(C(=O)NCC[C@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC001099640510 1363896034 /nfs/dbraw/zinc/89/60/34/1363896034.db2.gz CMNMZRAAHBODEO-AWEZNQCLSA-N 1 2 348.450 3.264 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCC2CCCCCC2)[C@@H](O)C1 ZINC001099926315 1363987266 /nfs/dbraw/zinc/98/72/66/1363987266.db2.gz OJWHJGYHQXDGKZ-SJORKVTESA-N 1 2 342.911 3.041 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCC2CCCCCC2)[C@@H](O)C1 ZINC001099926315 1363987268 /nfs/dbraw/zinc/98/72/68/1363987268.db2.gz OJWHJGYHQXDGKZ-SJORKVTESA-N 1 2 342.911 3.041 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NCC1CC([NH2+]CC(F)(F)C(F)F)C1 ZINC001100362076 1364091757 /nfs/dbraw/zinc/09/17/57/1364091757.db2.gz OZUUWFJTCAFQBK-UHFFFAOYSA-N 1 2 344.780 3.150 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H]2CCN(c3cc(C)[nH+]c(C(C)C)n3)C2)C1 ZINC001101050173 1364392469 /nfs/dbraw/zinc/39/24/69/1364392469.db2.gz GNWRRHLPHKNZLU-INIZCTEOSA-N 1 2 342.487 3.207 20 30 EGEDLO C=CCCC1(C(=O)NC[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)C2)CC1 ZINC001101056769 1364395308 /nfs/dbraw/zinc/39/53/08/1364395308.db2.gz ZBJBRCMREPVAQX-QGZVFWFLSA-N 1 2 342.487 3.091 20 30 EGEDLO C#CCCCC(=O)NCCN(CCC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001101130735 1364423974 /nfs/dbraw/zinc/42/39/74/1364423974.db2.gz GNBCXQDRQJCLLF-UHFFFAOYSA-N 1 2 330.476 3.045 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@@]2(C)C1 ZINC001101253805 1364487123 /nfs/dbraw/zinc/48/71/23/1364487123.db2.gz YCZBYOBMTOLHRW-YAWLVPHKSA-N 1 2 331.287 3.442 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@@]2(C)C1 ZINC001101253805 1364487125 /nfs/dbraw/zinc/48/71/25/1364487125.db2.gz YCZBYOBMTOLHRW-YAWLVPHKSA-N 1 2 331.287 3.442 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCN(c1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001101426938 1364558810 /nfs/dbraw/zinc/55/88/10/1364558810.db2.gz FSYDFEUWUGQIKM-GDBMZVCRSA-N 1 2 344.503 3.452 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H](CC)CCCC)c1nccn12 ZINC001101634452 1364664024 /nfs/dbraw/zinc/66/40/24/1364664024.db2.gz XWVWOCIXTUVRDA-IAGOWNOFSA-N 1 2 344.503 3.248 20 30 EGEDLO C=C(C)[C@H](CC(=O)N(C)CCNc1cc(C)[nH+]c(C(C)C)n1)OCC ZINC001101799195 1364731701 /nfs/dbraw/zinc/73/17/01/1364731701.db2.gz ONPYUYLNMASINZ-INIZCTEOSA-N 1 2 348.491 3.150 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]c(CC)n1 ZINC001102205823 1364932907 /nfs/dbraw/zinc/93/29/07/1364932907.db2.gz XPPFUKIJZXPNLT-YESZJQIVSA-N 1 2 342.487 3.129 20 30 EGEDLO C#CCCCC(=O)NCC[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001102315383 1364997452 /nfs/dbraw/zinc/99/74/52/1364997452.db2.gz SNUSONXLOGNAQW-QGZVFWFLSA-N 1 2 342.487 3.045 20 30 EGEDLO C=C1CC(C)(C(=O)NCC[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)C2)C1 ZINC001102381459 1365033105 /nfs/dbraw/zinc/03/31/05/1365033105.db2.gz RUBAGMSMDILSGU-KRWDZBQOSA-N 1 2 342.487 3.091 20 30 EGEDLO C=C[C@@H](CC(=O)NC[C@H](CC)Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC001103102690 1365381426 /nfs/dbraw/zinc/38/14/26/1365381426.db2.gz HFQZYHDKKIORRY-WMZOPIPTSA-N 1 2 338.455 3.452 20 30 EGEDLO CC#CCCCC(=O)NC[C@H](CC)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001103264481 1365462315 /nfs/dbraw/zinc/46/23/15/1365462315.db2.gz FUKZKPAEZXCUFY-INIZCTEOSA-N 1 2 342.487 3.164 20 30 EGEDLO Cc1nc(NCc2ccc(CNC(=O)C#CC(C)(C)C)cc2)cc[nH+]1 ZINC001103662480 1365711044 /nfs/dbraw/zinc/71/10/44/1365711044.db2.gz XOMIWAIFVSLBDN-UHFFFAOYSA-N 1 2 336.439 3.063 20 30 EGEDLO C=CCCC(=O)NCC[C@H]1CCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001103735153 1365755315 /nfs/dbraw/zinc/75/53/15/1365755315.db2.gz NRDZNOOIXCEZBH-MRXNPFEDSA-N 1 2 328.460 3.104 20 30 EGEDLO C#CCCCC(=O)NCC[C@H]1CCCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC001103743303 1365759515 /nfs/dbraw/zinc/75/95/15/1365759515.db2.gz UTRKENWRNDELRJ-QGZVFWFLSA-N 1 2 342.487 3.187 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@@H]1CNc1nc(C)[nH+]c2c1CCCC2 ZINC001103815168 1365794563 /nfs/dbraw/zinc/79/45/63/1365794563.db2.gz KGVDMRCUDFCDKH-MRXNPFEDSA-N 1 2 342.487 3.423 20 30 EGEDLO CC(C)c1cc(NC[C@@H](C)CNC(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001103936040 1365839817 /nfs/dbraw/zinc/83/98/17/1365839817.db2.gz CGBZVCMZVXHMNF-OAHLLOKOSA-N 1 2 342.487 3.301 20 30 EGEDLO C#CCCCC(=O)N[C@H](CNc1cc(C)[nH+]c(C2CC2)n1)CC(C)C ZINC001104938475 1366231523 /nfs/dbraw/zinc/23/15/23/1366231523.db2.gz OFBNWWCHPBVDDU-KRWDZBQOSA-N 1 2 342.487 3.409 20 30 EGEDLO C=C[C@@H](C(=O)NC[C@@H](Nc1cc[nH+]c(C)n1)C(C)C)c1ccccc1 ZINC001105195835 1366366814 /nfs/dbraw/zinc/36/68/14/1366366814.db2.gz SPCMLRCJAFTYTR-QZTJIDSGSA-N 1 2 338.455 3.308 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CCC[C@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001105652121 1366560389 /nfs/dbraw/zinc/56/03/89/1366560389.db2.gz PZPKOXSJVOBZPO-IRXDYDNUSA-N 1 2 340.471 3.163 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1CCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001105681832 1366569261 /nfs/dbraw/zinc/56/92/61/1366569261.db2.gz PWHNGASMFAIOAX-KGLIPLIRSA-N 1 2 336.867 3.261 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@H](C)CCNc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC001106510880 1366718484 /nfs/dbraw/zinc/71/84/84/1366718484.db2.gz NDPGFCAAFKDCQK-CQSZACIVSA-N 1 2 348.450 3.264 20 30 EGEDLO C#CC[C@H](CC(=O)NC/C=C\CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001107247817 1366903265 /nfs/dbraw/zinc/90/32/65/1366903265.db2.gz CLUDHJVESYVDAP-QULHZPMSSA-N 1 2 348.450 3.067 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C(CC)CC)n2)C1 ZINC001189280252 1366976222 /nfs/dbraw/zinc/97/62/22/1366976222.db2.gz QFHQGNBJGFNXRV-SFHVURJKSA-N 1 2 332.492 3.243 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C(CC)CC)n2)C1 ZINC001189280252 1366976227 /nfs/dbraw/zinc/97/62/27/1366976227.db2.gz QFHQGNBJGFNXRV-SFHVURJKSA-N 1 2 332.492 3.243 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001109195906 1366996479 /nfs/dbraw/zinc/99/64/79/1366996479.db2.gz WSFDPMSEXYAACH-KRWDZBQOSA-N 1 2 344.503 3.433 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CCCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC001109345903 1367072593 /nfs/dbraw/zinc/07/25/93/1367072593.db2.gz CJGGQGKYLMRULE-HOTGVXAUSA-N 1 2 330.476 3.474 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001109346837 1367074812 /nfs/dbraw/zinc/07/48/12/1367074812.db2.gz NVWJCOFACPMJTG-HZPDHXFCSA-N 1 2 330.476 3.474 20 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C=C(C)CCC(=O)NC[C@]1(C)C[N@@H+](Cc2cc(F)ccc2C)CCO1 ZINC001107974082 1367226049 /nfs/dbraw/zinc/22/60/49/1367226049.db2.gz JQGKMLCJWBDFMK-HXUWFJFHSA-N 1 2 348.462 3.198 20 30 EGEDLO CC[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001109603402 1367227009 /nfs/dbraw/zinc/22/70/09/1367227009.db2.gz RYVRVXMOZCRZOG-OWSLCNJRSA-N 1 2 348.849 3.161 20 30 EGEDLO CC[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001109603402 1367227013 /nfs/dbraw/zinc/22/70/13/1367227013.db2.gz RYVRVXMOZCRZOG-OWSLCNJRSA-N 1 2 348.849 3.161 20 30 EGEDLO CC[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001109603401 1367227610 /nfs/dbraw/zinc/22/76/10/1367227610.db2.gz RYVRVXMOZCRZOG-BDXSIMOUSA-N 1 2 348.849 3.161 20 30 EGEDLO CC[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001109603401 1367227617 /nfs/dbraw/zinc/22/76/17/1367227617.db2.gz RYVRVXMOZCRZOG-BDXSIMOUSA-N 1 2 348.849 3.161 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccncc1Cl ZINC001109627575 1367246384 /nfs/dbraw/zinc/24/63/84/1367246384.db2.gz XWYCHQLMNBTFOO-NJAFHUGGSA-N 1 2 345.874 3.150 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccncc1Cl ZINC001109627575 1367246391 /nfs/dbraw/zinc/24/63/91/1367246391.db2.gz XWYCHQLMNBTFOO-NJAFHUGGSA-N 1 2 345.874 3.150 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001109632088 1367250741 /nfs/dbraw/zinc/25/07/41/1367250741.db2.gz ZIPZNIXAWWIQIT-ZSGPHXLJSA-N 1 2 331.435 3.045 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001109632088 1367250746 /nfs/dbraw/zinc/25/07/46/1367250746.db2.gz ZIPZNIXAWWIQIT-ZSGPHXLJSA-N 1 2 331.435 3.045 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109632815 1367252231 /nfs/dbraw/zinc/25/22/31/1367252231.db2.gz DTFLLDGIGUXBRR-XCLNPWKQSA-N 1 2 337.467 3.382 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109632815 1367252235 /nfs/dbraw/zinc/25/22/35/1367252235.db2.gz DTFLLDGIGUXBRR-XCLNPWKQSA-N 1 2 337.467 3.382 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109683621 1367280435 /nfs/dbraw/zinc/28/04/35/1367280435.db2.gz VEQAUHIXFQLLRG-XODKDNOYSA-N 1 2 337.467 3.382 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109683621 1367280438 /nfs/dbraw/zinc/28/04/38/1367280438.db2.gz VEQAUHIXFQLLRG-XODKDNOYSA-N 1 2 337.467 3.382 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@]1(C)C[N@H+](C/C=C/c2ccccc2)CCO1 ZINC001108118901 1367290367 /nfs/dbraw/zinc/29/03/67/1367290367.db2.gz DZOHATLUFRQRJJ-VZOQVYJPSA-N 1 2 342.483 3.119 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@]1(C)C[N@@H+](C/C=C/c2ccccc2)CCO1 ZINC001108118901 1367290368 /nfs/dbraw/zinc/29/03/68/1367290368.db2.gz DZOHATLUFRQRJJ-VZOQVYJPSA-N 1 2 342.483 3.119 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)C[N@H+](C/C=C\c2ccccc2)CCO1 ZINC001108118902 1367290544 /nfs/dbraw/zinc/29/05/44/1367290544.db2.gz DZOHATLUFRQRJJ-ZAGZISDZSA-N 1 2 342.483 3.119 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)C[N@@H+](C/C=C\c2ccccc2)CCO1 ZINC001108118902 1367290546 /nfs/dbraw/zinc/29/05/46/1367290546.db2.gz DZOHATLUFRQRJJ-ZAGZISDZSA-N 1 2 342.483 3.119 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)C2(CC(C)C)CC2)C1 ZINC001190596014 1367303082 /nfs/dbraw/zinc/30/30/82/1367303082.db2.gz VYYGPCZVFFUGFY-CQSZACIVSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)C2(CC(C)C)CC2)C1 ZINC001190596014 1367303077 /nfs/dbraw/zinc/30/30/77/1367303077.db2.gz VYYGPCZVFFUGFY-CQSZACIVSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)OCc1ccccc1)C2 ZINC001109766237 1367310564 /nfs/dbraw/zinc/31/05/64/1367310564.db2.gz WOWIJVIHLPJTIG-BGTYHANMSA-N 1 2 348.874 3.066 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)OCc1ccccc1)C2 ZINC001109766237 1367310567 /nfs/dbraw/zinc/31/05/67/1367310567.db2.gz WOWIJVIHLPJTIG-BGTYHANMSA-N 1 2 348.874 3.066 20 30 EGEDLO CC(C)c1cc(NC[C@H](NC(=O)[C@H](C)C#N)C2CC2)nc(C(C)C)[nH+]1 ZINC001109795887 1367327960 /nfs/dbraw/zinc/32/79/60/1367327960.db2.gz LJRDIWNCULFTMN-CJNGLKHVSA-N 1 2 343.475 3.190 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cccc(Cl)c2Cl)C1 ZINC001108363730 1367413219 /nfs/dbraw/zinc/41/32/19/1367413219.db2.gz BCTMAJTYFDVOGV-MRXNPFEDSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cccc(Cl)c2Cl)C1 ZINC001108363730 1367413224 /nfs/dbraw/zinc/41/32/24/1367413224.db2.gz BCTMAJTYFDVOGV-MRXNPFEDSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CCO[C@@H](C)C(=O)N[C@@H](C)CNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001108416455 1367443702 /nfs/dbraw/zinc/44/37/02/1367443702.db2.gz VVJUPUFBHKNKBB-GJZGRUSLSA-N 1 2 348.491 3.231 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2oc3ccccc3c2CC)C1 ZINC001108432614 1367456116 /nfs/dbraw/zinc/45/61/16/1367456116.db2.gz MQLQXJDKRNHMFR-FQEVSTJZSA-N 1 2 342.439 3.002 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2oc3ccccc3c2CC)C1 ZINC001108432614 1367456118 /nfs/dbraw/zinc/45/61/18/1367456118.db2.gz MQLQXJDKRNHMFR-FQEVSTJZSA-N 1 2 342.439 3.002 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001108656627 1367517512 /nfs/dbraw/zinc/51/75/12/1367517512.db2.gz PFXBRHKGTWPLQB-KGLIPLIRSA-N 1 2 330.476 3.183 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H](C)CNc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001108676159 1367526259 /nfs/dbraw/zinc/52/62/59/1367526259.db2.gz VDYSJFRLQBTGHV-AWEZNQCLSA-N 1 2 328.460 3.325 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2cc(-c3ccco3)on2)C1 ZINC001192073757 1367681545 /nfs/dbraw/zinc/68/15/45/1367681545.db2.gz WKIAAHZSHHDTAG-INIZCTEOSA-N 1 2 343.427 3.324 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(-c3ccco3)on2)C1 ZINC001192073757 1367681551 /nfs/dbraw/zinc/68/15/51/1367681551.db2.gz WKIAAHZSHHDTAG-INIZCTEOSA-N 1 2 343.427 3.324 20 30 EGEDLO CCC[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110405794 1367696287 /nfs/dbraw/zinc/69/62/87/1367696287.db2.gz NBZNXFFTYZAAJX-QVSURHGTSA-N 1 2 343.446 3.355 20 30 EGEDLO CCC[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110405794 1367696294 /nfs/dbraw/zinc/69/62/94/1367696294.db2.gz NBZNXFFTYZAAJX-QVSURHGTSA-N 1 2 343.446 3.355 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001110414039 1367703925 /nfs/dbraw/zinc/70/39/25/1367703925.db2.gz VTJIEEQBLOCUJO-ZWKOTPCHSA-N 1 2 342.487 3.349 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3csc(C)n3)C2)CC1 ZINC001192217027 1367720762 /nfs/dbraw/zinc/72/07/62/1367720762.db2.gz BQGUOIZJPZJHGD-INIZCTEOSA-N 1 2 333.501 3.231 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3csc(C)n3)C2)CC1 ZINC001192217027 1367720766 /nfs/dbraw/zinc/72/07/66/1367720766.db2.gz BQGUOIZJPZJHGD-INIZCTEOSA-N 1 2 333.501 3.231 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3nc(C)cs3)C2)CCC1 ZINC001192218763 1367722304 /nfs/dbraw/zinc/72/23/04/1367722304.db2.gz WAOJWDOYMHAKRT-HNNXBMFYSA-N 1 2 333.501 3.231 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3nc(C)cs3)C2)CCC1 ZINC001192218763 1367722310 /nfs/dbraw/zinc/72/23/10/1367722310.db2.gz WAOJWDOYMHAKRT-HNNXBMFYSA-N 1 2 333.501 3.231 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)nc1 ZINC001110459729 1367748416 /nfs/dbraw/zinc/74/84/16/1367748416.db2.gz YXUFKUFZOQYGKF-ZACQAIPSSA-N 1 2 345.874 3.150 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)nc1 ZINC001110459729 1367748418 /nfs/dbraw/zinc/74/84/18/1367748418.db2.gz YXUFKUFZOQYGKF-ZACQAIPSSA-N 1 2 345.874 3.150 20 30 EGEDLO C=CCCC(=O)N1CC[C@]2(CCN(c3cc(C)[nH+]c(C(C)C)n3)C2)C1 ZINC001110468674 1367757775 /nfs/dbraw/zinc/75/77/75/1367757775.db2.gz LEDOJJJCWCGKPM-FQEVSTJZSA-N 1 2 342.487 3.303 20 30 EGEDLO O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(Cl)c1 ZINC001110531729 1367813190 /nfs/dbraw/zinc/81/31/90/1367813190.db2.gz LSYBHCZPGOMVKY-OLMNPRSZSA-N 1 2 346.833 3.114 20 30 EGEDLO O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(Cl)c1 ZINC001110531729 1367813195 /nfs/dbraw/zinc/81/31/95/1367813195.db2.gz LSYBHCZPGOMVKY-OLMNPRSZSA-N 1 2 346.833 3.114 20 30 EGEDLO CC/C(C)=C\C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110534864 1367815081 /nfs/dbraw/zinc/81/50/81/1367815081.db2.gz BJVVPSVBNQJAEY-NDTBBKOSSA-N 1 2 341.430 3.275 20 30 EGEDLO CC/C(C)=C\C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110534864 1367815083 /nfs/dbraw/zinc/81/50/83/1367815083.db2.gz BJVVPSVBNQJAEY-NDTBBKOSSA-N 1 2 341.430 3.275 20 30 EGEDLO Cc1cc(NC[C@H](NC(=O)[C@H](C)C#N)C2CCCC2)nc(C(C)C)[nH+]1 ZINC001110648234 1367891593 /nfs/dbraw/zinc/89/15/93/1367891593.db2.gz DUKDGCQBSCRSFB-CJNGLKHVSA-N 1 2 343.475 3.155 20 30 EGEDLO CC1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)CC1 ZINC001110832456 1368016053 /nfs/dbraw/zinc/01/60/53/1368016053.db2.gz IIAOCUXRGRYMGF-NXHRZFHOSA-N 1 2 341.430 3.109 20 30 EGEDLO CC1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)CC1 ZINC001110832456 1368016056 /nfs/dbraw/zinc/01/60/56/1368016056.db2.gz IIAOCUXRGRYMGF-NXHRZFHOSA-N 1 2 341.430 3.109 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCC1(C)CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110890254 1368064218 /nfs/dbraw/zinc/06/42/18/1368064218.db2.gz IMFSWYUGFOSWTB-OAHLLOKOSA-N 1 2 330.476 3.110 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC001110954526 1368121504 /nfs/dbraw/zinc/12/15/04/1368121504.db2.gz WHILJYJPOPQSEG-QFBILLFUSA-N 1 2 330.476 3.110 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C(C)(F)F ZINC001111038613 1368146428 /nfs/dbraw/zinc/14/64/28/1368146428.db2.gz HMZYUJIPBNWMLZ-YYQUZTFQSA-N 1 2 347.409 3.071 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C(C)(F)F ZINC001111038613 1368146433 /nfs/dbraw/zinc/14/64/33/1368146433.db2.gz HMZYUJIPBNWMLZ-YYQUZTFQSA-N 1 2 347.409 3.071 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001111072158 1368152156 /nfs/dbraw/zinc/15/21/56/1368152156.db2.gz DPHCXFUAXGESLY-ZACQAIPSSA-N 1 2 331.435 3.045 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001111072158 1368152158 /nfs/dbraw/zinc/15/21/58/1368152158.db2.gz DPHCXFUAXGESLY-ZACQAIPSSA-N 1 2 331.435 3.045 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]([C@@H](C)Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001111211402 1368191903 /nfs/dbraw/zinc/19/19/03/1368191903.db2.gz SKEGLGTZQOAWGJ-GDBMZVCRSA-N 1 2 342.487 3.279 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)[C@@H](C)c3ncccn3)C2)CCCC1 ZINC001194556447 1368286548 /nfs/dbraw/zinc/28/65/48/1368286548.db2.gz WHPCISQGZRISCT-DLBZAZTESA-N 1 2 342.487 3.207 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)[C@@H](C)c3ncccn3)C2)CCCC1 ZINC001194556447 1368286551 /nfs/dbraw/zinc/28/65/51/1368286551.db2.gz WHPCISQGZRISCT-DLBZAZTESA-N 1 2 342.487 3.207 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@H]21 ZINC001111407153 1368301905 /nfs/dbraw/zinc/30/19/05/1368301905.db2.gz CWARBWYMNCVGMO-ZWKOTPCHSA-N 1 2 342.487 3.185 20 30 EGEDLO CC/C=C(/C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001195079643 1368373036 /nfs/dbraw/zinc/37/30/36/1368373036.db2.gz RGCZFNVKOJVHLW-WCSRMQSCSA-N 1 2 329.419 3.088 20 30 EGEDLO CC/C=C(/C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001195079643 1368373041 /nfs/dbraw/zinc/37/30/41/1368373041.db2.gz RGCZFNVKOJVHLW-WCSRMQSCSA-N 1 2 329.419 3.088 20 30 EGEDLO C=CC(C)(C)C(=O)NCc1ccccc1CN(C)c1cc[nH+]c(C)n1 ZINC001111628360 1368389379 /nfs/dbraw/zinc/38/93/79/1368389379.db2.gz WNIZXPVMOCBBQO-UHFFFAOYSA-N 1 2 338.455 3.250 20 30 EGEDLO C=CCCC(=O)N1CCC[N@H+](Cc2coc(-c3ccccc3)n2)CC1 ZINC001195182913 1368396079 /nfs/dbraw/zinc/39/60/79/1368396079.db2.gz ZGKAKVVEVUYHTH-UHFFFAOYSA-N 1 2 339.439 3.342 20 30 EGEDLO C=CCCC(=O)N1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)CC1 ZINC001195182913 1368396087 /nfs/dbraw/zinc/39/60/87/1368396087.db2.gz ZGKAKVVEVUYHTH-UHFFFAOYSA-N 1 2 339.439 3.342 20 30 EGEDLO C=CCCC(=O)N1CCC[N@@H+](Cc2nc(-c3ccco3)oc2C)CC1 ZINC001195233832 1368405073 /nfs/dbraw/zinc/40/50/73/1368405073.db2.gz ZXWBUFINMSSNSD-UHFFFAOYSA-N 1 2 343.427 3.244 20 30 EGEDLO C=CCCC(=O)N1CCC[N@H+](Cc2nc(-c3ccco3)oc2C)CC1 ZINC001195233832 1368405077 /nfs/dbraw/zinc/40/50/77/1368405077.db2.gz ZXWBUFINMSSNSD-UHFFFAOYSA-N 1 2 343.427 3.244 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@@H+](Cc2cc(OC)ccc2Cl)CC1 ZINC001195675295 1368470357 /nfs/dbraw/zinc/47/03/57/1368470357.db2.gz VXFZJFIHQPIFFE-UHFFFAOYSA-N 1 2 348.874 3.186 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@H+](Cc2cc(OC)ccc2Cl)CC1 ZINC001195675295 1368470361 /nfs/dbraw/zinc/47/03/61/1368470361.db2.gz VXFZJFIHQPIFFE-UHFFFAOYSA-N 1 2 348.874 3.186 20 30 EGEDLO COc1cccc(Cl)c1C[N@@H+]1CCCN(C(=O)C#CC(C)C)CC1 ZINC001195775050 1368487853 /nfs/dbraw/zinc/48/78/53/1368487853.db2.gz NXHVQMBNBWIQCA-UHFFFAOYSA-N 1 2 348.874 3.042 20 30 EGEDLO COc1cccc(Cl)c1C[N@H+]1CCCN(C(=O)C#CC(C)C)CC1 ZINC001195775050 1368487855 /nfs/dbraw/zinc/48/78/55/1368487855.db2.gz NXHVQMBNBWIQCA-UHFFFAOYSA-N 1 2 348.874 3.042 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001111983073 1368590657 /nfs/dbraw/zinc/59/06/57/1368590657.db2.gz HBHPLEBAPOHTMX-SFHVURJKSA-N 1 2 342.487 3.071 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+](Cc2cc(C3CC3)no2)CC1 ZINC001196881083 1368705464 /nfs/dbraw/zinc/70/54/64/1368705464.db2.gz PJBMMTHJVHKMGT-HNNXBMFYSA-N 1 2 331.460 3.189 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+](Cc2cc(C3CC3)no2)CC1 ZINC001196881083 1368705465 /nfs/dbraw/zinc/70/54/65/1368705465.db2.gz PJBMMTHJVHKMGT-HNNXBMFYSA-N 1 2 331.460 3.189 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+](Cc2nc(C)c(C)s2)CC1 ZINC001196880920 1368705922 /nfs/dbraw/zinc/70/59/22/1368705922.db2.gz NAPMRNJEQDWVQC-AWEZNQCLSA-N 1 2 335.517 3.397 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+](Cc2nc(C)c(C)s2)CC1 ZINC001196880920 1368705925 /nfs/dbraw/zinc/70/59/25/1368705925.db2.gz NAPMRNJEQDWVQC-AWEZNQCLSA-N 1 2 335.517 3.397 20 30 EGEDLO C=CCCC1(C(=O)N2CCC[N@@H+](Cc3cc(C)ns3)CC2)CC1 ZINC001197062379 1368737699 /nfs/dbraw/zinc/73/76/99/1368737699.db2.gz PKQOFCOYTVTELM-UHFFFAOYSA-N 1 2 333.501 3.232 20 30 EGEDLO C=CCCC1(C(=O)N2CCC[N@H+](Cc3cc(C)ns3)CC2)CC1 ZINC001197062379 1368737703 /nfs/dbraw/zinc/73/77/03/1368737703.db2.gz PKQOFCOYTVTELM-UHFFFAOYSA-N 1 2 333.501 3.232 20 30 EGEDLO C=CCCCC(=O)N1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@@H](C)C1 ZINC001112336695 1368774507 /nfs/dbraw/zinc/77/45/07/1368774507.db2.gz SDOYIHITMAPAAF-BBRMVZONSA-N 1 2 328.460 3.278 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)n2C)CC1 ZINC001197337479 1368791181 /nfs/dbraw/zinc/79/11/81/1368791181.db2.gz PMECKDZQCSNKSU-UHFFFAOYSA-N 1 2 343.858 3.289 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001112424336 1368839627 /nfs/dbraw/zinc/83/96/27/1368839627.db2.gz NSGVLVYDXXCBHV-DYVFJYSZSA-N 1 2 330.476 3.089 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H](C)C1 ZINC001112494742 1368890971 /nfs/dbraw/zinc/89/09/71/1368890971.db2.gz JHDQRCNDKHYSOY-KBXCAEBGSA-N 1 2 342.487 3.069 20 30 EGEDLO C#CCCCC(=O)N(C)[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001112623495 1368952909 /nfs/dbraw/zinc/95/29/09/1368952909.db2.gz RWYGNRRFLFDBSQ-SFHVURJKSA-N 1 2 342.487 3.023 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+](Cc2ccc(CCC)cc2)CC1 ZINC001112676572 1368976472 /nfs/dbraw/zinc/97/64/72/1368976472.db2.gz QANGELJVFQYCQN-GOSISDBHSA-N 1 2 344.499 3.265 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@@H+](Cc3cncc(F)c3)CC2)CCCC1 ZINC001198417786 1369026920 /nfs/dbraw/zinc/02/69/20/1369026920.db2.gz QRFVQTBANAESFD-UHFFFAOYSA-N 1 2 345.462 3.392 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@H+](Cc3cncc(F)c3)CC2)CCCC1 ZINC001198417786 1369026925 /nfs/dbraw/zinc/02/69/25/1369026925.db2.gz QRFVQTBANAESFD-UHFFFAOYSA-N 1 2 345.462 3.392 20 30 EGEDLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC001112836979 1369037201 /nfs/dbraw/zinc/03/72/01/1369037201.db2.gz OVNBACYFQTUTCJ-GOSISDBHSA-N 1 2 330.447 3.471 20 30 EGEDLO C#CCC1(C(=O)N2CC[NH+](CCCCC(F)(F)F)CC2)CCC1 ZINC001112953059 1369107208 /nfs/dbraw/zinc/10/72/08/1369107208.db2.gz CGJUGTDDTCUYMW-UHFFFAOYSA-N 1 2 330.394 3.057 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)C1(CC)CC1)c1ccccc1OC ZINC001198885070 1369139194 /nfs/dbraw/zinc/13/91/94/1369139194.db2.gz AGMZGXBEBBFALK-HNNXBMFYSA-N 1 2 336.863 3.385 20 30 EGEDLO CCCCCCCC[C@@H](C)C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001198904554 1369145381 /nfs/dbraw/zinc/14/53/81/1369145381.db2.gz HORLDDDSMHPIPE-PWPJTEBQSA-N 1 2 344.927 3.287 20 30 EGEDLO CCCCCCCC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001198904554 1369145386 /nfs/dbraw/zinc/14/53/86/1369145386.db2.gz HORLDDDSMHPIPE-PWPJTEBQSA-N 1 2 344.927 3.287 20 30 EGEDLO C=CCCC1(C(=O)N2CC[NH+](Cc3ccc4c(c3)COC4)CC2)CC1 ZINC001113310960 1369337709 /nfs/dbraw/zinc/33/77/09/1369337709.db2.gz VTZFVBNQEPDLHX-UHFFFAOYSA-N 1 2 340.467 3.107 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC001113390600 1369392107 /nfs/dbraw/zinc/39/21/07/1369392107.db2.gz KGEXWEFXAGWGDO-CYBMUJFWSA-N 1 2 333.303 3.317 20 30 EGEDLO N#Cc1cc(C(F)(F)F)ccc1Nc1ccc(N2CC[C@H](O)C2)[nH+]c1 ZINC001201692222 1369607155 /nfs/dbraw/zinc/60/71/55/1369607155.db2.gz ZQDPEWOAUQODLS-AWEZNQCLSA-N 1 2 348.328 3.287 20 30 EGEDLO CCCCCCCCCCS(=O)(=O)NC1(C#N)CC[NH+](C)CC1 ZINC001201837162 1369631686 /nfs/dbraw/zinc/63/16/86/1369631686.db2.gz OREXEQZZCMAXOE-UHFFFAOYSA-N 1 2 343.537 3.034 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001113851662 1369633704 /nfs/dbraw/zinc/63/37/04/1369633704.db2.gz OMLQKYWKKKBRQP-BEFAXECRSA-N 1 2 332.492 3.452 20 30 EGEDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC001202788407 1369893035 /nfs/dbraw/zinc/89/30/35/1369893035.db2.gz NUYFVTCOZKPDBB-UHFFFAOYSA-N 1 2 331.379 3.408 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@@]2(C)CN(c3cc[nH+]c(C)n3)C[C@@]2(C)C1 ZINC001114729037 1370050704 /nfs/dbraw/zinc/05/07/04/1370050704.db2.gz RWFXIWHPUNDHLT-YSGRDPCXSA-N 1 2 342.487 3.062 20 30 EGEDLO CNc1ccc(Nc2c(C#N)c(SC)sc2C(=O)OC)c[nH+]1 ZINC001203449498 1370130001 /nfs/dbraw/zinc/13/00/01/1370130001.db2.gz HPJUUXFGPDYHIE-UHFFFAOYSA-N 1 2 334.426 3.309 20 30 EGEDLO CC(C)[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001114910847 1370144262 /nfs/dbraw/zinc/14/42/62/1370144262.db2.gz XBXRJZLPMUPNLA-ITQYTPKQSA-N 1 2 344.886 3.030 20 30 EGEDLO CC(C)[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001114910847 1370144265 /nfs/dbraw/zinc/14/42/65/1370144265.db2.gz XBXRJZLPMUPNLA-ITQYTPKQSA-N 1 2 344.886 3.030 20 30 EGEDLO CCCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21 ZINC001115163504 1370321869 /nfs/dbraw/zinc/32/18/69/1370321869.db2.gz HXKJSOQLMRSJTQ-YRWFTTLQSA-N 1 2 344.503 3.164 20 30 EGEDLO CCCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21 ZINC001115163504 1370321874 /nfs/dbraw/zinc/32/18/74/1370321874.db2.gz HXKJSOQLMRSJTQ-YRWFTTLQSA-N 1 2 344.503 3.164 20 30 EGEDLO CCCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001115164016 1370322509 /nfs/dbraw/zinc/32/25/09/1370322509.db2.gz NRTWSXDGHAZEIX-DZFIZOCASA-N 1 2 333.476 3.362 20 30 EGEDLO CCCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001115164016 1370322515 /nfs/dbraw/zinc/32/25/15/1370322515.db2.gz NRTWSXDGHAZEIX-DZFIZOCASA-N 1 2 333.476 3.362 20 30 EGEDLO CC(=O)n1cc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)c2ccccc21 ZINC001204409936 1370468952 /nfs/dbraw/zinc/46/89/52/1370468952.db2.gz XGMZGFPQHUARDO-QGZVFWFLSA-N 1 2 326.421 3.076 20 30 EGEDLO CC(=O)n1cc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)c2ccccc21 ZINC001204409936 1370468955 /nfs/dbraw/zinc/46/89/55/1370468955.db2.gz XGMZGFPQHUARDO-QGZVFWFLSA-N 1 2 326.421 3.076 20 30 EGEDLO C=C(C)CCC(=O)NCC1([NH2+]Cc2noc(C3CC3)n2)CCCCC1 ZINC001115557562 1370556673 /nfs/dbraw/zinc/55/66/73/1370556673.db2.gz VGJBQOJAWCGEMH-UHFFFAOYSA-N 1 2 346.475 3.212 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N(C)C[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001115642477 1370633696 /nfs/dbraw/zinc/63/36/96/1370633696.db2.gz HATISRXMOBGXPN-JKSUJKDBSA-N 1 2 348.491 3.148 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](OCCC(=O)c2ccccc2)C1 ZINC001205357923 1370730824 /nfs/dbraw/zinc/73/08/24/1370730824.db2.gz NUBZHXZAAJXZJK-HXUWFJFHSA-N 1 2 334.419 3.422 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](OCCC(=O)c2ccccc2)C1 ZINC001205357923 1370730829 /nfs/dbraw/zinc/73/08/29/1370730829.db2.gz NUBZHXZAAJXZJK-HXUWFJFHSA-N 1 2 334.419 3.422 20 30 EGEDLO N#Cc1cc(C[NH+]2CCN(c3cc(Cl)ccn3)CC2)ccc1F ZINC001205493816 1370772023 /nfs/dbraw/zinc/77/20/23/1370772023.db2.gz SPDKFWHGUVEXJD-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO N#Cc1nc2[nH]ccc2cc1-c1ccc(C[NH+]2CCOCC2)cc1F ZINC001206719730 1371144223 /nfs/dbraw/zinc/14/42/23/1371144223.db2.gz PDWDPNVDVMERIV-UHFFFAOYSA-N 1 2 336.370 3.024 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC001206845536 1371187353 /nfs/dbraw/zinc/18/73/53/1371187353.db2.gz WQIWNBAKXWQRDY-MRXNPFEDSA-N 1 2 341.411 3.218 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC001206845536 1371187357 /nfs/dbraw/zinc/18/73/57/1371187357.db2.gz WQIWNBAKXWQRDY-MRXNPFEDSA-N 1 2 341.411 3.218 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C(=C)Cl)C1 ZINC001207132054 1371305232 /nfs/dbraw/zinc/30/52/32/1371305232.db2.gz MYCMKUHOVGEIRJ-BXKDBHETSA-N 1 2 349.700 3.110 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C(=C)Cl)C1 ZINC001207132054 1371305236 /nfs/dbraw/zinc/30/52/36/1371305236.db2.gz MYCMKUHOVGEIRJ-BXKDBHETSA-N 1 2 349.700 3.110 20 30 EGEDLO C=C(C)CCC(=O)N(C)C[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001120163935 1371497423 /nfs/dbraw/zinc/49/74/23/1371497423.db2.gz IVXNGYQBSGWXRX-AWEZNQCLSA-N 1 2 330.476 3.279 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001208385181 1371745955 /nfs/dbraw/zinc/74/59/55/1371745955.db2.gz SWQBGBCPGURRPX-SQWLQELKSA-N 1 2 335.879 3.274 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001208385181 1371745957 /nfs/dbraw/zinc/74/59/57/1371745957.db2.gz SWQBGBCPGURRPX-SQWLQELKSA-N 1 2 335.879 3.274 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccncc2Cl)C[C@H]1C ZINC001208388697 1371748220 /nfs/dbraw/zinc/74/82/20/1371748220.db2.gz OSXVURHCTQHIFM-CKEIUWERSA-N 1 2 335.879 3.274 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccncc2Cl)C[C@H]1C ZINC001208388697 1371748222 /nfs/dbraw/zinc/74/82/22/1371748222.db2.gz OSXVURHCTQHIFM-CKEIUWERSA-N 1 2 335.879 3.274 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208392692 1371750589 /nfs/dbraw/zinc/75/05/89/1371750589.db2.gz BHSBVYGGJCOZRM-SPYBWZPUSA-N 1 2 343.446 3.236 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208392692 1371750593 /nfs/dbraw/zinc/75/05/93/1371750593.db2.gz BHSBVYGGJCOZRM-SPYBWZPUSA-N 1 2 343.446 3.236 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@H+](Cc3c(F)cccc3Cl)C[C@H]21 ZINC001187811702 1388168264 /nfs/dbraw/zinc/16/82/64/1388168264.db2.gz DQUTXBBAUYWAPJ-KBXCAEBGSA-N 1 2 348.849 3.171 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@@H+](Cc3c(F)cccc3Cl)C[C@H]21 ZINC001187811702 1388168274 /nfs/dbraw/zinc/16/82/74/1388168274.db2.gz DQUTXBBAUYWAPJ-KBXCAEBGSA-N 1 2 348.849 3.171 20 30 EGEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCCC[C@H](SC)C1 ZINC001121519403 1371997234 /nfs/dbraw/zinc/99/72/34/1371997234.db2.gz OIDAFXNVINEERZ-INIZCTEOSA-N 1 2 349.548 3.172 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1CCc1cc(F)cc(F)c1 ZINC001209136253 1372010885 /nfs/dbraw/zinc/01/08/85/1372010885.db2.gz MEJUHWVUHUHHGO-SFHVURJKSA-N 1 2 347.409 3.043 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1CCc1cc(F)cc(F)c1 ZINC001209136253 1372010888 /nfs/dbraw/zinc/01/08/88/1372010888.db2.gz MEJUHWVUHUHHGO-SFHVURJKSA-N 1 2 347.409 3.043 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC001209185813 1372030688 /nfs/dbraw/zinc/03/06/88/1372030688.db2.gz XMQACUGLCWWAOR-HUUCEWRRSA-N 1 2 348.491 3.050 20 30 EGEDLO CC[C@H]1CCCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CC ZINC001121800620 1372084956 /nfs/dbraw/zinc/08/49/56/1372084956.db2.gz JWQWANVPLPMLFE-KRWDZBQOSA-N 1 2 344.507 3.160 20 30 EGEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCc2cc(C)ccc21 ZINC001122490146 1372257989 /nfs/dbraw/zinc/25/79/89/1372257989.db2.gz HDKWODOLIWEVAG-UHFFFAOYSA-N 1 2 348.454 3.181 20 30 EGEDLO N#C[C@H]1C[NH2+]CCN1Cc1c[nH]c2cccc(OCc3ccccc3)c12 ZINC001210122940 1372275715 /nfs/dbraw/zinc/27/57/15/1372275715.db2.gz VWFHAXHHFGTEMN-SFHVURJKSA-N 1 2 346.434 3.044 20 30 EGEDLO Cc1cc(-c2cccc(Cl)c2)ncc1CN1CC[NH2+]C[C@@H]1C#N ZINC001210196020 1372292210 /nfs/dbraw/zinc/29/22/10/1372292210.db2.gz MFQBGPMHPBMHPV-KRWDZBQOSA-N 1 2 326.831 3.008 20 30 EGEDLO Cc1cc(C#N)ccc1Nc1cc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c(C)n1 ZINC001210375269 1372336571 /nfs/dbraw/zinc/33/65/71/1372336571.db2.gz PDXKRUVTGRYMPC-KBPBESRZSA-N 1 2 337.427 3.322 20 30 EGEDLO Cc1cc(C#N)cc(Nc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC001210389452 1372340653 /nfs/dbraw/zinc/34/06/53/1372340653.db2.gz DUXOLWSQSBEGPO-UHFFFAOYSA-N 1 2 337.423 3.321 20 30 EGEDLO Cc1cc(N[C@H]2CCN(C(=O)C#CC(C)(C)C)[C@@H]2C)nc(C2CC2)[nH+]1 ZINC001122977103 1372353208 /nfs/dbraw/zinc/35/32/08/1372353208.db2.gz HBELDVRBXGALPS-ZBFHGGJFSA-N 1 2 340.471 3.113 20 30 EGEDLO Cc1cc(N[C@@H]2C[C@@H](C)N(C(=O)C#CC(C)(C)C)C2)nc(C2CC2)[nH+]1 ZINC001123202956 1372396834 /nfs/dbraw/zinc/39/68/34/1372396834.db2.gz MIZZAQDIVQYMBW-GDBMZVCRSA-N 1 2 340.471 3.113 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3coc(C)n3)C[C@H]2C)CCCCC1 ZINC001211235136 1372509099 /nfs/dbraw/zinc/50/90/99/1372509099.db2.gz IOVSINYXVWMZBE-CRAIPNDOSA-N 1 2 345.487 3.446 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3coc(C)n3)C[C@H]2C)CCCCC1 ZINC001211235136 1372509105 /nfs/dbraw/zinc/50/91/05/1372509105.db2.gz IOVSINYXVWMZBE-CRAIPNDOSA-N 1 2 345.487 3.446 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@@H](CNc2cc[nH+]c(C)n2)C(C)(C)C)cc1 ZINC001126074722 1372927397 /nfs/dbraw/zinc/92/73/97/1372927397.db2.gz SLAYQHVVVFGWHR-KRWDZBQOSA-N 1 2 336.439 3.023 20 30 EGEDLO C=C[C@@H](C(=O)N(C)C1CC(Nc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001126963461 1373058886 /nfs/dbraw/zinc/05/88/86/1373058886.db2.gz PBZYBHFFVHNEBJ-DAWZGUTISA-N 1 2 336.439 3.156 20 30 EGEDLO C=CCCC(=O)NCc1cnn2c1C[N@H+](CCCC1CCCC1)CC2 ZINC001128259889 1373243686 /nfs/dbraw/zinc/24/36/86/1373243686.db2.gz XVBVVTZPTWCVMQ-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO C=CCCC(=O)NCc1cnn2c1C[N@@H+](CCCC1CCCC1)CC2 ZINC001128259889 1373243687 /nfs/dbraw/zinc/24/36/87/1373243687.db2.gz XVBVVTZPTWCVMQ-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)C3CC=CC3)c2C1 ZINC001128269618 1373244233 /nfs/dbraw/zinc/24/42/33/1373244233.db2.gz QEJGRVWWKCLVDD-UHFFFAOYSA-N 1 2 342.487 3.028 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)C3CC=CC3)c2C1 ZINC001128269618 1373244236 /nfs/dbraw/zinc/24/42/36/1373244236.db2.gz QEJGRVWWKCLVDD-UHFFFAOYSA-N 1 2 342.487 3.028 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)CCC[C@H](C)CCC)c2C1 ZINC001128372932 1373258347 /nfs/dbraw/zinc/25/83/47/1373258347.db2.gz XKNZLAWHZYJEHW-QGZVFWFLSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)CCC[C@H](C)CCC)c2C1 ZINC001128372932 1373258350 /nfs/dbraw/zinc/25/83/50/1373258350.db2.gz XKNZLAWHZYJEHW-QGZVFWFLSA-N 1 2 346.519 3.498 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)CC3(C)CC3)c2C1 ZINC001128416284 1373264581 /nfs/dbraw/zinc/26/45/81/1373264581.db2.gz IKQNSIREHRAOHM-UHFFFAOYSA-N 1 2 346.519 3.476 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)CC3(C)CC3)c2C1 ZINC001128416284 1373264582 /nfs/dbraw/zinc/26/45/82/1373264582.db2.gz IKQNSIREHRAOHM-UHFFFAOYSA-N 1 2 346.519 3.476 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)C[C@H]3C[C@H]3C)c2C1 ZINC001128470157 1373273517 /nfs/dbraw/zinc/27/35/17/1373273517.db2.gz CNCKKSUTMLLHRG-IAGOWNOFSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)C[C@H]3C[C@H]3C)c2C1 ZINC001128470157 1373273520 /nfs/dbraw/zinc/27/35/20/1373273520.db2.gz CNCKKSUTMLLHRG-IAGOWNOFSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H](C)CC3CCCC3)c2C1 ZINC001128509798 1373279976 /nfs/dbraw/zinc/27/99/76/1373279976.db2.gz SSTSOEXILWXOJE-INIZCTEOSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H](C)CC3CCCC3)c2C1 ZINC001128509798 1373279979 /nfs/dbraw/zinc/27/99/79/1373279979.db2.gz SSTSOEXILWXOJE-INIZCTEOSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCC[C@@H](C)[N@H+]1Cc2cnn(C3CCN(C(=O)C(C)C)CC3)c2C1 ZINC001130163597 1373466737 /nfs/dbraw/zinc/46/67/37/1373466737.db2.gz OOCQLWVYJFNMEQ-MRXNPFEDSA-N 1 2 344.503 3.373 20 30 EGEDLO C=CCC[C@@H](C)[N@@H+]1Cc2cnn(C3CCN(C(=O)C(C)C)CC3)c2C1 ZINC001130163597 1373466741 /nfs/dbraw/zinc/46/67/41/1373466741.db2.gz OOCQLWVYJFNMEQ-MRXNPFEDSA-N 1 2 344.503 3.373 20 30 EGEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1ccc(C#N)cc1F)c1ccccc1 ZINC001131586772 1373726438 /nfs/dbraw/zinc/72/64/38/1373726438.db2.gz JCSWXRMSGQJDQR-GOSISDBHSA-N 1 2 348.381 3.145 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)C(CC)CC)CC[C@H]1C ZINC001131833703 1373829305 /nfs/dbraw/zinc/82/93/05/1373829305.db2.gz DLNFTMPAFDZPCB-TZMCWYRMSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)C(CC)CC)CC[C@H]1C ZINC001131833703 1373829302 /nfs/dbraw/zinc/82/93/02/1373829302.db2.gz DLNFTMPAFDZPCB-TZMCWYRMSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)CCC2CCC2)CC[C@@H]1C ZINC001131950737 1375064754 /nfs/dbraw/zinc/06/47/54/1375064754.db2.gz NNAXRJMMRNXPGI-DZGCQCFKSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)CCC2CCC2)CC[C@@H]1C ZINC001131950737 1375064756 /nfs/dbraw/zinc/06/47/56/1375064756.db2.gz NNAXRJMMRNXPGI-DZGCQCFKSA-N 1 2 343.309 3.444 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ncoc2C(C)C)C1 ZINC001131973174 1375077824 /nfs/dbraw/zinc/07/78/24/1375077824.db2.gz YTNRWSXJGSJDAL-IAGOWNOFSA-N 1 2 345.487 3.461 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001131973174 1375077828 /nfs/dbraw/zinc/07/78/28/1375077828.db2.gz YTNRWSXJGSJDAL-IAGOWNOFSA-N 1 2 345.487 3.461 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC001132015878 1375099394 /nfs/dbraw/zinc/09/93/94/1375099394.db2.gz ARDXHJRDHZTFAA-KDOFPFPSSA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC001132015878 1375099398 /nfs/dbraw/zinc/09/93/98/1375099398.db2.gz ARDXHJRDHZTFAA-KDOFPFPSSA-N 1 2 334.410 3.093 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1ccncc1Cl ZINC001132034234 1375109929 /nfs/dbraw/zinc/10/99/29/1375109929.db2.gz PKZLGHOBRHMQHE-GDBMZVCRSA-N 1 2 347.890 3.254 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1ccncc1Cl ZINC001132034234 1375109931 /nfs/dbraw/zinc/10/99/31/1375109931.db2.gz PKZLGHOBRHMQHE-GDBMZVCRSA-N 1 2 347.890 3.254 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1cccc(F)c1Cl ZINC001132046956 1375115386 /nfs/dbraw/zinc/11/53/86/1375115386.db2.gz SICQKSXNSKWSIU-BBRMVZONSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1cccc(F)c1Cl ZINC001132046956 1375115387 /nfs/dbraw/zinc/11/53/87/1375115387.db2.gz SICQKSXNSKWSIU-BBRMVZONSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1cccc(Cl)c1F ZINC001132046237 1375115492 /nfs/dbraw/zinc/11/54/92/1375115492.db2.gz NJHYYZDFCFXWAH-CZUORRHYSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1cccc(Cl)c1F ZINC001132046237 1375115494 /nfs/dbraw/zinc/11/54/94/1375115494.db2.gz NJHYYZDFCFXWAH-CZUORRHYSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1cc(F)ccc1Cl ZINC001132047006 1375115871 /nfs/dbraw/zinc/11/58/71/1375115871.db2.gz SMQZWLBFWAXHRB-CXAGYDPISA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1cc(F)ccc1Cl ZINC001132047006 1375115874 /nfs/dbraw/zinc/11/58/74/1375115874.db2.gz SMQZWLBFWAXHRB-CXAGYDPISA-N 1 2 348.849 3.362 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)oc2C)C1 ZINC001132060167 1375125063 /nfs/dbraw/zinc/12/50/63/1375125063.db2.gz ARDDDONPDGIQOM-CJNGLKHVSA-N 1 2 333.476 3.363 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2nc(C)oc2C)C1 ZINC001132060167 1375125067 /nfs/dbraw/zinc/12/50/67/1375125067.db2.gz ARDDDONPDGIQOM-CJNGLKHVSA-N 1 2 333.476 3.363 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001132071493 1375132908 /nfs/dbraw/zinc/13/29/08/1375132908.db2.gz BEQLLTHWVPVURX-IAGOWNOFSA-N 1 2 332.492 3.289 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001132071493 1375132909 /nfs/dbraw/zinc/13/29/09/1375132909.db2.gz BEQLLTHWVPVURX-IAGOWNOFSA-N 1 2 332.492 3.289 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2nncc(Cl)c2Cl)C1 ZINC001225687979 1375144851 /nfs/dbraw/zinc/14/48/51/1375144851.db2.gz VGOQFMGGMDTLKI-ZDUSSCGKSA-N 1 2 349.221 3.308 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2nncc(Cl)c2Cl)C1 ZINC001225687979 1375144854 /nfs/dbraw/zinc/14/48/54/1375144854.db2.gz VGOQFMGGMDTLKI-ZDUSSCGKSA-N 1 2 349.221 3.308 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2nc(C)sc2C)C1 ZINC001132218463 1375216622 /nfs/dbraw/zinc/21/66/22/1375216622.db2.gz QUSKYBWLGQOICE-SWLSCSKDSA-N 1 2 335.517 3.441 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2nc(C)sc2C)C1 ZINC001132218463 1375216623 /nfs/dbraw/zinc/21/66/23/1375216623.db2.gz QUSKYBWLGQOICE-SWLSCSKDSA-N 1 2 335.517 3.441 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ncoc2C(C)C)C1 ZINC001132234827 1375229781 /nfs/dbraw/zinc/22/97/81/1375229781.db2.gz FLMGRTQWMOTEPV-DLBZAZTESA-N 1 2 345.487 3.461 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001132234827 1375229784 /nfs/dbraw/zinc/22/97/84/1375229784.db2.gz FLMGRTQWMOTEPV-DLBZAZTESA-N 1 2 345.487 3.461 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001132235833 1375230502 /nfs/dbraw/zinc/23/05/02/1375230502.db2.gz UPILLZYFRRVWJX-NVXWUHKLSA-N 1 2 347.890 3.398 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001132235833 1375230507 /nfs/dbraw/zinc/23/05/07/1375230507.db2.gz UPILLZYFRRVWJX-NVXWUHKLSA-N 1 2 347.890 3.398 20 30 EGEDLO CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001132274550 1375259875 /nfs/dbraw/zinc/25/98/75/1375259875.db2.gz WMAZIDCQCJQANJ-PBHICJAKSA-N 1 2 343.446 3.357 20 30 EGEDLO CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001132274550 1375259880 /nfs/dbraw/zinc/25/98/80/1375259880.db2.gz WMAZIDCQCJQANJ-PBHICJAKSA-N 1 2 343.446 3.357 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3ncc(C)o3)C2)CCC1 ZINC001132278910 1375261859 /nfs/dbraw/zinc/26/18/59/1375261859.db2.gz SMOHHSDBZJVGBE-ZBFHGGJFSA-N 1 2 331.460 3.199 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3ncc(C)o3)C2)CCC1 ZINC001132278910 1375261864 /nfs/dbraw/zinc/26/18/64/1375261864.db2.gz SMOHHSDBZJVGBE-ZBFHGGJFSA-N 1 2 331.460 3.199 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3snnc3C)C2)CC1 ZINC001132278737 1375262745 /nfs/dbraw/zinc/26/27/45/1375262745.db2.gz PYHBANQGXNQSDI-UKRRQHHQSA-N 1 2 348.516 3.062 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3snnc3C)C2)CC1 ZINC001132278737 1375262749 /nfs/dbraw/zinc/26/27/49/1375262749.db2.gz PYHBANQGXNQSDI-UKRRQHHQSA-N 1 2 348.516 3.062 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3snnc3C)C2)CCC1 ZINC001132282777 1375265356 /nfs/dbraw/zinc/26/53/56/1375265356.db2.gz MVZXXTDBNQBIPM-DZGCQCFKSA-N 1 2 348.516 3.062 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3snnc3C)C2)CCC1 ZINC001132282777 1375265359 /nfs/dbraw/zinc/26/53/59/1375265359.db2.gz MVZXXTDBNQBIPM-DZGCQCFKSA-N 1 2 348.516 3.062 20 30 EGEDLO Cn1cc[nH+]c1CCNC(=O)c1ccc(-c2ccc(C#N)c(F)c2)cc1 ZINC001188719790 1388367375 /nfs/dbraw/zinc/36/73/75/1388367375.db2.gz LHXTYTDHSSPECL-UHFFFAOYSA-N 1 2 348.381 3.070 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)COc2ccccc2C)CC[C@@H]1C ZINC001132458861 1375402261 /nfs/dbraw/zinc/40/22/61/1375402261.db2.gz YNDNXLBSCMHOOM-HOTGVXAUSA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)COc2ccccc2C)CC[C@@H]1C ZINC001132458861 1375402264 /nfs/dbraw/zinc/40/22/64/1375402264.db2.gz YNDNXLBSCMHOOM-HOTGVXAUSA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CN(CC)c2ccccc2)CC[C@H]1C ZINC001132508320 1375431114 /nfs/dbraw/zinc/43/11/14/1375431114.db2.gz HORQNVGEHZNZHS-IAGOWNOFSA-N 1 2 349.906 3.235 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CN(CC)c2ccccc2)CC[C@H]1C ZINC001132508320 1375431117 /nfs/dbraw/zinc/43/11/17/1375431117.db2.gz HORQNVGEHZNZHS-IAGOWNOFSA-N 1 2 349.906 3.235 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2nc(Cl)ccc2F)C1 ZINC001227882073 1375486695 /nfs/dbraw/zinc/48/66/95/1375486695.db2.gz DVIFRMMXLWXGIW-CQSZACIVSA-N 1 2 331.778 3.399 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2nc(Cl)ccc2F)C1 ZINC001227882073 1375486698 /nfs/dbraw/zinc/48/66/98/1375486698.db2.gz DVIFRMMXLWXGIW-CQSZACIVSA-N 1 2 331.778 3.399 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(C(C)C)n1 ZINC001228412733 1375568572 /nfs/dbraw/zinc/56/85/72/1375568572.db2.gz CKXWREBBDDXFLP-SPYBWZPUSA-N 1 2 348.491 3.312 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001132815499 1375578856 /nfs/dbraw/zinc/57/88/56/1375578856.db2.gz MBLYZNIIGUQGQO-IBGZPJMESA-N 1 2 330.391 3.235 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001132815500 1375579973 /nfs/dbraw/zinc/57/99/73/1375579973.db2.gz MBLYZNIIGUQGQO-LJQANCHMSA-N 1 2 330.391 3.235 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC1CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC001228580223 1375604293 /nfs/dbraw/zinc/60/42/93/1375604293.db2.gz RKVMIMSQURLJSG-UHFFFAOYSA-N 1 2 345.487 3.236 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC001228786109 1375675161 /nfs/dbraw/zinc/67/51/61/1375675161.db2.gz CBACIJGFIUOSKA-AWEZNQCLSA-N 1 2 331.460 3.235 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2cc3c(cc2O)CCC3=O)C1 ZINC001228854847 1375695534 /nfs/dbraw/zinc/69/55/34/1375695534.db2.gz YAWNFKHNHIPZHR-KRWDZBQOSA-N 1 2 348.402 3.046 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2cc3c(cc2O)CCC3=O)C1 ZINC001228854847 1375695537 /nfs/dbraw/zinc/69/55/37/1375695537.db2.gz YAWNFKHNHIPZHR-KRWDZBQOSA-N 1 2 348.402 3.046 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CC(=C)Br)C[C@H]21 ZINC001188875957 1388397064 /nfs/dbraw/zinc/39/70/64/1388397064.db2.gz PZLYEZUPFQOIKT-AEGPPILISA-N 1 2 341.293 3.030 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](CC(=C)Br)C[C@H]21 ZINC001188875957 1388397072 /nfs/dbraw/zinc/39/70/72/1388397072.db2.gz PZLYEZUPFQOIKT-AEGPPILISA-N 1 2 341.293 3.030 20 30 EGEDLO C=CCC1(C(=O)NC2CC[NH+](Cc3nc(C)c(C)o3)CC2)CCC1 ZINC001229030614 1375745547 /nfs/dbraw/zinc/74/55/47/1375745547.db2.gz ODBYQPMTRKCGNH-UHFFFAOYSA-N 1 2 331.460 3.118 20 30 EGEDLO C=CCCC1(C(=O)NC2CC[NH+]([C@H](C)c3nc(CC)no3)CC2)CC1 ZINC001229048275 1375750721 /nfs/dbraw/zinc/75/07/21/1375750721.db2.gz BAARIMASSIGXNT-CQSZACIVSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001188908789 1388406100 /nfs/dbraw/zinc/40/61/00/1388406100.db2.gz IXRUUGDAZFKMMB-BHYGNILZSA-N 1 2 343.471 3.187 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001188908789 1388406103 /nfs/dbraw/zinc/40/61/03/1388406103.db2.gz IXRUUGDAZFKMMB-BHYGNILZSA-N 1 2 343.471 3.187 20 30 EGEDLO CCC[N@@H+]1CCO[C@@H]2c3cc(O[C@H](C)[C@H](C)S)ccc3OC[C@H]21 ZINC001230427342 1376027887 /nfs/dbraw/zinc/02/78/87/1376027887.db2.gz NGYPYYRWMWTAAT-ZDFLXESQSA-N 1 2 337.485 3.317 20 30 EGEDLO CCC[N@H+]1CCO[C@@H]2c3cc(O[C@H](C)[C@H](C)S)ccc3OC[C@H]21 ZINC001230427342 1376027894 /nfs/dbraw/zinc/02/78/94/1376027894.db2.gz NGYPYYRWMWTAAT-ZDFLXESQSA-N 1 2 337.485 3.317 20 30 EGEDLO C=CCC1(C(=O)NC2CC[NH+]([C@H](C)c3nc(C)no3)CC2)CCCC1 ZINC001230475810 1376035519 /nfs/dbraw/zinc/03/55/19/1376035519.db2.gz SOOCNQFGWYKJDL-CQSZACIVSA-N 1 2 346.475 3.156 20 30 EGEDLO CC(C)C[C@@H](C)OCCC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230569373 1376080383 /nfs/dbraw/zinc/08/03/83/1376080383.db2.gz KYJRBNLQLGXQAF-IEBWSBKVSA-N 1 2 349.519 3.054 20 30 EGEDLO CC(C)C[C@@H](C)OCCC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001230569373 1376080392 /nfs/dbraw/zinc/08/03/92/1376080392.db2.gz KYJRBNLQLGXQAF-IEBWSBKVSA-N 1 2 349.519 3.054 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)CC1CCCC1 ZINC001230654615 1376117380 /nfs/dbraw/zinc/11/73/80/1376117380.db2.gz QPVHXXKPCPJNJK-GOSISDBHSA-N 1 2 343.446 3.310 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)CC1CCCC1 ZINC001230654615 1376117390 /nfs/dbraw/zinc/11/73/90/1376117390.db2.gz QPVHXXKPCPJNJK-GOSISDBHSA-N 1 2 343.446 3.310 20 30 EGEDLO CCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001230776404 1376149821 /nfs/dbraw/zinc/14/98/21/1376149821.db2.gz RKOJTHXNNBIOMO-QGZVFWFLSA-N 1 2 331.435 3.310 20 30 EGEDLO CCCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001230776404 1376149822 /nfs/dbraw/zinc/14/98/22/1376149822.db2.gz RKOJTHXNNBIOMO-QGZVFWFLSA-N 1 2 331.435 3.310 20 30 EGEDLO C=C(Cl)C[N@H+](CCCNC(=O)[C@]12C[C@H]1CCC2)Cc1cccnc1 ZINC001230801614 1376152746 /nfs/dbraw/zinc/15/27/46/1376152746.db2.gz ALLSFSIDYRPHCC-IEBWSBKVSA-N 1 2 347.890 3.333 20 30 EGEDLO C=C(Cl)C[N@@H+](CCCNC(=O)[C@]12C[C@H]1CCC2)Cc1cccnc1 ZINC001230801614 1376152749 /nfs/dbraw/zinc/15/27/49/1376152749.db2.gz ALLSFSIDYRPHCC-IEBWSBKVSA-N 1 2 347.890 3.333 20 30 EGEDLO C#Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](F)C2)c1 ZINC001231655958 1376295377 /nfs/dbraw/zinc/29/53/77/1376295377.db2.gz CVLDHRRSYWFEMG-IAGOWNOFSA-N 1 2 332.419 3.105 20 30 EGEDLO C#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](F)C2)c1 ZINC001231655958 1376295380 /nfs/dbraw/zinc/29/53/80/1376295380.db2.gz CVLDHRRSYWFEMG-IAGOWNOFSA-N 1 2 332.419 3.105 20 30 EGEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3cccc(Cl)c3O)CC2)nc1 ZINC001231912779 1376349203 /nfs/dbraw/zinc/34/92/03/1376349203.db2.gz ZJLWNOLCJZXNPO-UHFFFAOYSA-N 1 2 342.830 3.025 20 30 EGEDLO N#Cc1ccc(N2CCC[N@H+](Cc3cccc(Cl)c3O)CC2)nc1 ZINC001231912779 1376349210 /nfs/dbraw/zinc/34/92/10/1376349210.db2.gz ZJLWNOLCJZXNPO-UHFFFAOYSA-N 1 2 342.830 3.025 20 30 EGEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1cc(Cl)cnc1F)CC2 ZINC001231991838 1376373726 /nfs/dbraw/zinc/37/37/26/1376373726.db2.gz BOJSKLFYGJSSKD-UHFFFAOYSA-N 1 2 337.826 3.017 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(Cl)cnc1F)C2 ZINC001231994932 1376374152 /nfs/dbraw/zinc/37/41/52/1376374152.db2.gz YHIZRWIURCTSEM-DOTOQJQBSA-N 1 2 340.826 3.200 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(Cl)cnc1F)C2 ZINC001231994932 1376374161 /nfs/dbraw/zinc/37/41/61/1376374161.db2.gz YHIZRWIURCTSEM-DOTOQJQBSA-N 1 2 340.826 3.200 20 30 EGEDLO C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232673474 1376498141 /nfs/dbraw/zinc/49/81/41/1376498141.db2.gz HJIQNCBMNAGOFU-OAHLLOKOSA-N 1 2 339.414 3.109 20 30 EGEDLO C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232673474 1376498145 /nfs/dbraw/zinc/49/81/45/1376498145.db2.gz HJIQNCBMNAGOFU-OAHLLOKOSA-N 1 2 339.414 3.109 20 30 EGEDLO C[N@H+](Cc1cc(C#N)ccc1O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001232680903 1376501345 /nfs/dbraw/zinc/50/13/45/1376501345.db2.gz IGTQVABBZDPPGR-HXUWFJFHSA-N 1 2 335.451 3.360 20 30 EGEDLO C[N@@H+](Cc1cc(C#N)ccc1O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001232680903 1376501351 /nfs/dbraw/zinc/50/13/51/1376501351.db2.gz IGTQVABBZDPPGR-HXUWFJFHSA-N 1 2 335.451 3.360 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232680913 1376501700 /nfs/dbraw/zinc/50/17/00/1376501700.db2.gz ISQUIHHLLAEWOL-LJQANCHMSA-N 1 2 345.443 3.001 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232680913 1376501705 /nfs/dbraw/zinc/50/17/05/1376501705.db2.gz ISQUIHHLLAEWOL-LJQANCHMSA-N 1 2 345.443 3.001 20 30 EGEDLO Cc1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)c(F)cc1F ZINC001232779622 1376512473 /nfs/dbraw/zinc/51/24/73/1376512473.db2.gz CDSGFKQEUBGJAJ-UHFFFAOYSA-N 1 2 327.378 3.467 20 30 EGEDLO CC(C)(C)OC(=O)N1CCCC2(C[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001232843993 1376522585 /nfs/dbraw/zinc/52/25/85/1376522585.db2.gz DCBXIWLUIMEELU-UHFFFAOYSA-N 1 2 347.484 3.453 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nnsc1Cl ZINC001134453872 1376546272 /nfs/dbraw/zinc/54/62/72/1376546272.db2.gz NPCJTYIQDVVHKR-MNOVXSKESA-N 1 2 344.912 3.167 20 30 EGEDLO N#Cc1cc[nH]c1C[NH+]1CCC2(CCC(=O)N2Cc2ccccc2)CC1 ZINC001233045191 1376560931 /nfs/dbraw/zinc/56/09/31/1376560931.db2.gz QVPYBOJSQKUVGE-UHFFFAOYSA-N 1 2 348.450 3.044 20 30 EGEDLO CC(C)(C)OC(=O)N1CCCC12CC[NH+](Cc1[nH]ccc1C#N)CC2 ZINC001233046070 1376561048 /nfs/dbraw/zinc/56/10/48/1376561048.db2.gz LFYQQVHSJISMFG-UHFFFAOYSA-N 1 2 344.459 3.252 20 30 EGEDLO CCOC[C@H]1C[N@H+](Cc2ccc(C#N)cc2C)Cc2nn(CC)cc21 ZINC001233081293 1376568366 /nfs/dbraw/zinc/56/83/66/1376568366.db2.gz BWSRXYXWYZPFEX-GOSISDBHSA-N 1 2 338.455 3.219 20 30 EGEDLO CCOC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C)Cc2nn(CC)cc21 ZINC001233081293 1376568371 /nfs/dbraw/zinc/56/83/71/1376568371.db2.gz BWSRXYXWYZPFEX-GOSISDBHSA-N 1 2 338.455 3.219 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H]1CCc2c1c(F)ccc2F ZINC001233966415 1376745657 /nfs/dbraw/zinc/74/56/57/1376745657.db2.gz LUNNUHSGPHSQIO-KDOFPFPSSA-N 1 2 346.421 3.288 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H]1CCc2c1c(F)ccc2F ZINC001233966415 1376745660 /nfs/dbraw/zinc/74/56/60/1376745660.db2.gz LUNNUHSGPHSQIO-KDOFPFPSSA-N 1 2 346.421 3.288 20 30 EGEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H]1CCc2c1c(F)ccc2F ZINC001234163090 1376781913 /nfs/dbraw/zinc/78/19/13/1376781913.db2.gz XPAANTZFVICYSQ-KBXCAEBGSA-N 1 2 346.421 3.144 20 30 EGEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H]1CCc2c1c(F)ccc2F ZINC001234163090 1376781920 /nfs/dbraw/zinc/78/19/20/1376781920.db2.gz XPAANTZFVICYSQ-KBXCAEBGSA-N 1 2 346.421 3.144 20 30 EGEDLO N#Cc1ccc(-c2ccc(-c3ccc(-n4cc[nH+]c4)cc3)nn2)c(N)c1 ZINC001244085442 1377034496 /nfs/dbraw/zinc/03/44/96/1377034496.db2.gz ROQDPSMVQUWEOZ-UHFFFAOYSA-N 1 2 338.374 3.450 20 30 EGEDLO CC[C@@H](C#N)C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001327279964 1388480860 /nfs/dbraw/zinc/48/08/60/1388480860.db2.gz XQQNNBVXNKCADG-ZDUSSCGKSA-N 1 2 325.416 3.037 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)CCC)C1 ZINC001189271259 1388504003 /nfs/dbraw/zinc/50/40/03/1388504003.db2.gz YZSWFKPGTIRPBP-GXTWGEPZSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)CCC)C1 ZINC001189271259 1388504006 /nfs/dbraw/zinc/50/40/06/1388504006.db2.gz YZSWFKPGTIRPBP-GXTWGEPZSA-N 1 2 331.298 3.254 20 30 EGEDLO COc1ccc(C[N@@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)c(C#N)c1 ZINC001137703430 1377599145 /nfs/dbraw/zinc/59/91/45/1377599145.db2.gz LPYRGWXTRYBCAT-QGZVFWFLSA-N 1 2 344.361 3.498 20 30 EGEDLO COc1ccc(C[N@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)c(C#N)c1 ZINC001137703430 1377599166 /nfs/dbraw/zinc/59/91/66/1377599166.db2.gz LPYRGWXTRYBCAT-QGZVFWFLSA-N 1 2 344.361 3.498 20 30 EGEDLO Cc1nn(C)c(Cl)c1C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001137745279 1377609074 /nfs/dbraw/zinc/60/90/74/1377609074.db2.gz OECSLZKXCCJVNP-UHFFFAOYSA-N 1 2 328.847 3.439 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(F)ccc(F)c1F)C2 ZINC001137929591 1377645968 /nfs/dbraw/zinc/64/59/68/1377645968.db2.gz VSERWSIIFJSIQN-SCLBCKFNSA-N 1 2 341.373 3.430 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c(F)ccc(F)c1F)C2 ZINC001137929591 1377645973 /nfs/dbraw/zinc/64/59/73/1377645973.db2.gz VSERWSIIFJSIQN-SCLBCKFNSA-N 1 2 341.373 3.430 20 30 EGEDLO COc1ccc(F)c(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC001137995054 1377661439 /nfs/dbraw/zinc/66/14/39/1377661439.db2.gz PFUDPRGDRKMUEZ-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccc(C#N)c(F)c1)CCO2 ZINC001139528397 1377898523 /nfs/dbraw/zinc/89/85/23/1377898523.db2.gz OVKAFNOGJZUGFO-UYAOXDASSA-N 1 2 344.430 3.271 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1ccc(C#N)c(F)c1)CCO2 ZINC001139528397 1377898528 /nfs/dbraw/zinc/89/85/28/1377898528.db2.gz OVKAFNOGJZUGFO-UYAOXDASSA-N 1 2 344.430 3.271 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccnc(Cl)c1F)C2 ZINC001139663555 1377929384 /nfs/dbraw/zinc/92/93/84/1377929384.db2.gz NWXLOAMJDJINDS-WMLDXEAASA-N 1 2 340.826 3.200 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccnc(Cl)c1F)C2 ZINC001139663555 1377929386 /nfs/dbraw/zinc/92/93/86/1377929386.db2.gz NWXLOAMJDJINDS-WMLDXEAASA-N 1 2 340.826 3.200 20 30 EGEDLO COc1cc(F)cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC001140484527 1378070716 /nfs/dbraw/zinc/07/07/16/1378070716.db2.gz SETLYZGTGLZUSL-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(F)cc(F)cc1F)C2 ZINC001140532754 1378080671 /nfs/dbraw/zinc/08/06/71/1378080671.db2.gz UKUCPYZESDVFRZ-KDOFPFPSSA-N 1 2 341.373 3.430 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1c(F)cc(F)cc1F)C2 ZINC001140532754 1378080673 /nfs/dbraw/zinc/08/06/73/1378080673.db2.gz UKUCPYZESDVFRZ-KDOFPFPSSA-N 1 2 341.373 3.430 20 30 EGEDLO Cn1nc2ccc(Br)cc2c1C[NH+]1CCC(C)(C#N)CC1 ZINC001140669718 1378110253 /nfs/dbraw/zinc/11/02/53/1378110253.db2.gz JTGYJRUJUQQZPI-UHFFFAOYSA-N 1 2 347.260 3.461 20 30 EGEDLO N#Cc1cccc(C[NH+]2CCN(c3cccc(O)c3)CC2)c1Cl ZINC001140812597 1378148265 /nfs/dbraw/zinc/14/82/65/1378148265.db2.gz BXRCGTAYKCUOOT-UHFFFAOYSA-N 1 2 327.815 3.239 20 30 EGEDLO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1cnc(CCCC)[nH]1)C2 ZINC001141069061 1378228266 /nfs/dbraw/zinc/22/82/66/1378228266.db2.gz UKUFODLEYFGFOL-FQEVSTJZSA-N 1 2 344.503 3.285 20 30 EGEDLO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1cnc(CCCC)[nH]1)C2 ZINC001141069061 1378228268 /nfs/dbraw/zinc/22/82/68/1378228268.db2.gz UKUFODLEYFGFOL-FQEVSTJZSA-N 1 2 344.503 3.285 20 30 EGEDLO N#Cc1ccc(Br)cc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC001141897212 1378391693 /nfs/dbraw/zinc/39/16/93/1378391693.db2.gz KHRYSDDZKFVRCB-MRXNPFEDSA-N 1 2 335.245 3.323 20 30 EGEDLO N#Cc1ccc(Br)cc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC001141897212 1378391696 /nfs/dbraw/zinc/39/16/96/1378391696.db2.gz KHRYSDDZKFVRCB-MRXNPFEDSA-N 1 2 335.245 3.323 20 30 EGEDLO N#Cc1ccc(Br)cc1C[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001141897187 1378391721 /nfs/dbraw/zinc/39/17/21/1378391721.db2.gz JHEDPGAYQHMFSW-YPMHNXCESA-N 1 2 327.172 3.408 20 30 EGEDLO N#Cc1ccc(Br)cc1C[N@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001141897187 1378391725 /nfs/dbraw/zinc/39/17/25/1378391725.db2.gz JHEDPGAYQHMFSW-YPMHNXCESA-N 1 2 327.172 3.408 20 30 EGEDLO CSc1nc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)ccc1C#N ZINC001141939996 1378396533 /nfs/dbraw/zinc/39/65/33/1378396533.db2.gz YUMCCCRJWALDKK-UHFFFAOYSA-N 1 2 347.484 3.229 20 30 EGEDLO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3ccc(Cl)nn3)C2)cc1 ZINC001142078542 1378411023 /nfs/dbraw/zinc/41/10/23/1378411023.db2.gz KUOTWXPPCDCKOR-INIZCTEOSA-N 1 2 328.803 3.045 20 30 EGEDLO N#Cc1ccc(O[C@H]2CCC[N@H+](Cc3ccc(Cl)nn3)C2)cc1 ZINC001142078542 1378411024 /nfs/dbraw/zinc/41/10/24/1378411024.db2.gz KUOTWXPPCDCKOR-INIZCTEOSA-N 1 2 328.803 3.045 20 30 EGEDLO CC(=O)N(C(C)C)C1CC[NH+](Cc2c(F)ccc(C#N)c2F)CC1 ZINC001143175916 1378554720 /nfs/dbraw/zinc/55/47/20/1378554720.db2.gz KTINIRPBXPEHFJ-UHFFFAOYSA-N 1 2 335.398 3.058 20 30 EGEDLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)cc(OC(F)(F)F)c2)C1 ZINC001143256689 1378570902 /nfs/dbraw/zinc/57/09/02/1378570902.db2.gz RDETXWLQJFFBAF-LLVKDONJSA-N 1 2 347.230 3.223 20 30 EGEDLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)cc(OC(F)(F)F)c2)C1 ZINC001143256689 1378570906 /nfs/dbraw/zinc/57/09/06/1378570906.db2.gz RDETXWLQJFFBAF-LLVKDONJSA-N 1 2 347.230 3.223 20 30 EGEDLO C=CC[C@H](C)C(=O)N1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC001144021600 1378672400 /nfs/dbraw/zinc/67/24/00/1378672400.db2.gz STUOJOAYFSWFNC-INIZCTEOSA-N 1 2 346.446 3.145 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)/C=C/C(C)(C)C)C2)C1 ZINC001147241482 1378994739 /nfs/dbraw/zinc/99/47/39/1378994739.db2.gz TWIUQMPSSIMPJX-AATRIKPKSA-N 1 2 341.293 3.032 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)/C=C/C(C)(C)C)C2)C1 ZINC001147241482 1378994741 /nfs/dbraw/zinc/99/47/41/1378994741.db2.gz TWIUQMPSSIMPJX-AATRIKPKSA-N 1 2 341.293 3.032 20 30 EGEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@@H+](Cc1csc(CCC)n1)C2 ZINC001147640064 1379054175 /nfs/dbraw/zinc/05/41/75/1379054175.db2.gz OFLPVKXETNBDRM-UHFFFAOYSA-N 1 2 347.528 3.486 20 30 EGEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@H+](Cc1csc(CCC)n1)C2 ZINC001147640064 1379054181 /nfs/dbraw/zinc/05/41/81/1379054181.db2.gz OFLPVKXETNBDRM-UHFFFAOYSA-N 1 2 347.528 3.486 20 30 EGEDLO C#CCC1(C(=O)N2CC3(C2)CC[N@@H+](C/C(Cl)=C/Cl)C3)CCC1 ZINC001147711164 1379063601 /nfs/dbraw/zinc/06/36/01/1379063601.db2.gz HMVJUUXLBWCQQM-ZROIWOOFSA-N 1 2 341.282 3.033 20 30 EGEDLO C#CCC1(C(=O)N2CC3(C2)CC[N@H+](C/C(Cl)=C/Cl)C3)CCC1 ZINC001147711164 1379063604 /nfs/dbraw/zinc/06/36/04/1379063604.db2.gz HMVJUUXLBWCQQM-ZROIWOOFSA-N 1 2 341.282 3.033 20 30 EGEDLO C=CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1csc(CCC)n1)C2 ZINC001148194107 1379131347 /nfs/dbraw/zinc/13/13/47/1379131347.db2.gz UMGRXUUKKCKIIZ-UHFFFAOYSA-N 1 2 347.528 3.486 20 30 EGEDLO C=CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1csc(CCC)n1)C2 ZINC001148194107 1379131348 /nfs/dbraw/zinc/13/13/48/1379131348.db2.gz UMGRXUUKKCKIIZ-UHFFFAOYSA-N 1 2 347.528 3.486 20 30 EGEDLO CCCCCCCCC(=O)N1CC2(C1)CC[N@H+](Cc1nc(C)no1)C2 ZINC001148666490 1379237647 /nfs/dbraw/zinc/23/76/47/1379237647.db2.gz WLNXEQLHKQIJLT-UHFFFAOYSA-N 1 2 348.491 3.163 20 30 EGEDLO CCCCCCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nc(C)no1)C2 ZINC001148666490 1379237650 /nfs/dbraw/zinc/23/76/50/1379237650.db2.gz WLNXEQLHKQIJLT-UHFFFAOYSA-N 1 2 348.491 3.163 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](CCCC)C(C)C)C1 ZINC001150796278 1379616791 /nfs/dbraw/zinc/61/67/91/1379616791.db2.gz SPVFSKVZJAJZCB-DLBZAZTESA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H](CCCC)C(C)C)C1 ZINC001150796278 1379616793 /nfs/dbraw/zinc/61/67/93/1379616793.db2.gz SPVFSKVZJAJZCB-DLBZAZTESA-N 1 2 344.927 3.408 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@@H]1CC=CCC1 ZINC001151829232 1379790268 /nfs/dbraw/zinc/79/02/68/1379790268.db2.gz DYOIIAYVKDITEX-HZPDHXFCSA-N 1 2 343.446 3.380 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@@H]1CC=CCC1 ZINC001151829232 1379790272 /nfs/dbraw/zinc/79/02/72/1379790272.db2.gz DYOIIAYVKDITEX-HZPDHXFCSA-N 1 2 343.446 3.380 20 30 EGEDLO C=C[C@H](CC(=O)NCC[NH2+][C@@H](C)c1ncc(C)o1)c1ccccc1 ZINC001151945851 1379822604 /nfs/dbraw/zinc/82/26/04/1379822604.db2.gz CMBAHFHZLZEKIM-JKSUJKDBSA-N 1 2 327.428 3.110 20 30 EGEDLO C=CCC1(C(=O)NCC[NH2+]Cc2nc(CCCC)no2)CCCCC1 ZINC001152011064 1379838694 /nfs/dbraw/zinc/83/86/94/1379838694.db2.gz XCQRJLOEUZUAOJ-UHFFFAOYSA-N 1 2 348.491 3.145 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1c(F)cccc1F ZINC001152867403 1379988338 /nfs/dbraw/zinc/98/83/38/1379988338.db2.gz PHSHFASRGNNFLB-OAHLLOKOSA-N 1 2 336.426 3.485 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1c(F)cccc1F ZINC001152867403 1379988339 /nfs/dbraw/zinc/98/83/39/1379988339.db2.gz PHSHFASRGNNFLB-OAHLLOKOSA-N 1 2 336.426 3.485 20 30 EGEDLO CC[C@H](C)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(F)ccc1C#N ZINC001153006888 1380006822 /nfs/dbraw/zinc/00/68/22/1380006822.db2.gz KQWDOVMHEBNDEL-LSDHHAIUSA-N 1 2 333.451 3.460 20 30 EGEDLO CC[C@H](C)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(F)ccc1C#N ZINC001153006888 1380006825 /nfs/dbraw/zinc/00/68/25/1380006825.db2.gz KQWDOVMHEBNDEL-LSDHHAIUSA-N 1 2 333.451 3.460 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1cc(C)cs1 ZINC001153197881 1380033540 /nfs/dbraw/zinc/03/35/40/1380033540.db2.gz UMQWBNYCDQGAKA-GFCCVEGCSA-N 1 2 345.306 3.405 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1cc(C)cs1 ZINC001153197881 1380033543 /nfs/dbraw/zinc/03/35/43/1380033543.db2.gz UMQWBNYCDQGAKA-GFCCVEGCSA-N 1 2 345.306 3.405 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@H+](CC)Cc1noc2c1CCCC2 ZINC001155067209 1380402343 /nfs/dbraw/zinc/40/23/43/1380402343.db2.gz VLGLMQXOIMZFEK-FOIQADDNSA-N 1 2 347.503 3.482 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1noc2c1CCCC2 ZINC001155067209 1380402344 /nfs/dbraw/zinc/40/23/44/1380402344.db2.gz VLGLMQXOIMZFEK-FOIQADDNSA-N 1 2 347.503 3.482 20 30 EGEDLO N#Cc1ccc2cc[nH+]c(N[C@]34C[C@H]3CN(C(=O)c3ccco3)C4)c2c1 ZINC001155816873 1380494734 /nfs/dbraw/zinc/49/47/34/1380494734.db2.gz HEOOIZSBDBULGN-YWZLYKJASA-N 1 2 344.374 3.026 20 30 EGEDLO C#CCCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@H](C)c1ncccn1 ZINC001157856799 1381052802 /nfs/dbraw/zinc/05/28/02/1381052802.db2.gz NSLSUXMKZMDJNU-QZTJIDSGSA-N 1 2 342.487 3.044 20 30 EGEDLO C#CCCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@H](C)c1ncccn1 ZINC001157856799 1381052805 /nfs/dbraw/zinc/05/28/05/1381052805.db2.gz NSLSUXMKZMDJNU-QZTJIDSGSA-N 1 2 342.487 3.044 20 30 EGEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCC[C@H]3C(=O)Nc3ccccc3)c12 ZINC001157874426 1381056204 /nfs/dbraw/zinc/05/62/04/1381056204.db2.gz JJTCKRORNINYID-INIZCTEOSA-N 1 2 331.379 3.042 20 30 EGEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1coc(C2CC2)n1 ZINC001157907751 1381067741 /nfs/dbraw/zinc/06/77/41/1381067741.db2.gz DHDWBRPAFXTMFH-GOSISDBHSA-N 1 2 343.471 3.168 20 30 EGEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1coc(C2CC2)n1 ZINC001157907751 1381067747 /nfs/dbraw/zinc/06/77/47/1381067747.db2.gz DHDWBRPAFXTMFH-GOSISDBHSA-N 1 2 343.471 3.168 20 30 EGEDLO Cc1cnc([C@@H](C)[N@@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)C)o1 ZINC001157940445 1381076379 /nfs/dbraw/zinc/07/63/79/1381076379.db2.gz ZWDZEKGLKPGPBO-IAGOWNOFSA-N 1 2 331.460 3.016 20 30 EGEDLO Cc1cnc([C@@H](C)[N@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)C)o1 ZINC001157940445 1381076380 /nfs/dbraw/zinc/07/63/80/1381076380.db2.gz ZWDZEKGLKPGPBO-IAGOWNOFSA-N 1 2 331.460 3.016 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nc(C)c(C)o1 ZINC001158019336 1381105415 /nfs/dbraw/zinc/10/54/15/1381105415.db2.gz XZRAUWYUAARQHQ-QGZVFWFLSA-N 1 2 333.476 3.461 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nc(C)c(C)o1 ZINC001158019336 1381105421 /nfs/dbraw/zinc/10/54/21/1381105421.db2.gz XZRAUWYUAARQHQ-QGZVFWFLSA-N 1 2 333.476 3.461 20 30 EGEDLO N#Cc1cc(C(F)(F)NCCc2cn3ccccc3[nH+]2)cnc1Cl ZINC001158144874 1381140713 /nfs/dbraw/zinc/14/07/13/1381140713.db2.gz JJKTZXVLEYDANO-UHFFFAOYSA-N 1 2 347.756 3.136 20 30 EGEDLO C#CCCCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1coc(C)n1 ZINC001158316233 1381197984 /nfs/dbraw/zinc/19/79/84/1381197984.db2.gz DSICVJKEZASHMD-LJQANCHMSA-N 1 2 345.487 3.380 20 30 EGEDLO C#CCCCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1coc(C)n1 ZINC001158316233 1381197995 /nfs/dbraw/zinc/19/79/95/1381197995.db2.gz DSICVJKEZASHMD-LJQANCHMSA-N 1 2 345.487 3.380 20 30 EGEDLO C#CCCCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccon1 ZINC001158316945 1381199234 /nfs/dbraw/zinc/19/92/34/1381199234.db2.gz XKBCXBOCAGBMNZ-GOSISDBHSA-N 1 2 331.460 3.071 20 30 EGEDLO C#CCCCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccon1 ZINC001158316945 1381199237 /nfs/dbraw/zinc/19/92/37/1381199237.db2.gz XKBCXBOCAGBMNZ-GOSISDBHSA-N 1 2 331.460 3.071 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cn(C(C)C)nn1 ZINC001158419058 1381239693 /nfs/dbraw/zinc/23/96/93/1381239693.db2.gz IPRYVFFAOGYBSU-GOSISDBHSA-N 1 2 347.507 3.028 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cn(C(C)C)nn1 ZINC001158419058 1381239695 /nfs/dbraw/zinc/23/96/95/1381239695.db2.gz IPRYVFFAOGYBSU-GOSISDBHSA-N 1 2 347.507 3.028 20 30 EGEDLO C#C[C@](C)(CC)Nc1cc(N2CCN(c3ccccc3)CC2)nc[nH+]1 ZINC001158742785 1381379194 /nfs/dbraw/zinc/37/91/94/1381379194.db2.gz LBLYIYIYLPRVPA-HXUWFJFHSA-N 1 2 335.455 3.017 20 30 EGEDLO C#C[C@](C)(CC)Nc1cc(N2CCN(c3ccccc3)CC2)[nH+]cn1 ZINC001158742785 1381379203 /nfs/dbraw/zinc/37/92/03/1381379203.db2.gz LBLYIYIYLPRVPA-HXUWFJFHSA-N 1 2 335.455 3.017 20 30 EGEDLO C=CCCCNc1nc2c(ccn2S(=O)(=O)c2ccccc2)c[nH+]1 ZINC001159262399 1381746643 /nfs/dbraw/zinc/74/66/43/1381746643.db2.gz OAHPSPBZISMLMU-UHFFFAOYSA-N 1 2 342.424 3.046 20 30 EGEDLO CC(C)(C)C#CC(=O)NCCC1=CC[N@H+](C/C(Cl)=C/Cl)CC1 ZINC001160084936 1381993088 /nfs/dbraw/zinc/99/30/88/1381993088.db2.gz YTSLLBKOJUCMEY-QINSGFPZSA-N 1 2 343.298 3.493 20 30 EGEDLO CC(C)(C)C#CC(=O)NCCC1=CC[N@@H+](C/C(Cl)=C/Cl)CC1 ZINC001160084936 1381993090 /nfs/dbraw/zinc/99/30/90/1381993090.db2.gz YTSLLBKOJUCMEY-QINSGFPZSA-N 1 2 343.298 3.493 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@H+]([C@H](C)c2nnc(C)o2)CC1 ZINC001160242351 1382046963 /nfs/dbraw/zinc/04/69/63/1382046963.db2.gz NUXAAFOXXKJZOU-CQSZACIVSA-N 1 2 346.475 3.180 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@@H+]([C@H](C)c2nnc(C)o2)CC1 ZINC001160242351 1382046967 /nfs/dbraw/zinc/04/69/67/1382046967.db2.gz NUXAAFOXXKJZOU-CQSZACIVSA-N 1 2 346.475 3.180 20 30 EGEDLO C#CCCCCCC(=O)NCCC1=CC[N@H+](Cc2ncc(C)o2)CC1 ZINC001160915287 1382233250 /nfs/dbraw/zinc/23/32/50/1382233250.db2.gz SAMKSCZKRZGRSG-UHFFFAOYSA-N 1 2 343.471 3.205 20 30 EGEDLO C#CCCCCCC(=O)NCCC1=CC[N@@H+](Cc2ncc(C)o2)CC1 ZINC001160915287 1382233253 /nfs/dbraw/zinc/23/32/53/1382233253.db2.gz SAMKSCZKRZGRSG-UHFFFAOYSA-N 1 2 343.471 3.205 20 30 EGEDLO C=C1CCC(C(=O)NCCC2=CC[N@H+](Cc3ncc(C)o3)CC2)CC1 ZINC001161121366 1382308066 /nfs/dbraw/zinc/30/80/66/1382308066.db2.gz FXHIZILRKOBECB-UHFFFAOYSA-N 1 2 343.471 3.368 20 30 EGEDLO C=C1CCC(C(=O)NCCC2=CC[N@@H+](Cc3ncc(C)o3)CC2)CC1 ZINC001161121366 1382308068 /nfs/dbraw/zinc/30/80/68/1382308068.db2.gz FXHIZILRKOBECB-UHFFFAOYSA-N 1 2 343.471 3.368 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1=CC[N@H+](Cc2cc(C)on2)CC1 ZINC001161335888 1382373675 /nfs/dbraw/zinc/37/36/75/1382373675.db2.gz JFAUGMMPURRTIP-UHFFFAOYSA-N 1 2 331.460 3.224 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2cc(C)on2)CC1 ZINC001161335888 1382373679 /nfs/dbraw/zinc/37/36/79/1382373679.db2.gz JFAUGMMPURRTIP-UHFFFAOYSA-N 1 2 331.460 3.224 20 30 EGEDLO CCCCCCCCC(=O)NCCC1=CC[N@H+](Cc2cnon2)CC1 ZINC001161763460 1382499336 /nfs/dbraw/zinc/49/93/36/1382499336.db2.gz SZJKHVZOECBDHS-UHFFFAOYSA-N 1 2 348.491 3.459 20 30 EGEDLO CCCCCCCCC(=O)NCCC1=CC[N@@H+](Cc2cnon2)CC1 ZINC001161763460 1382499338 /nfs/dbraw/zinc/49/93/38/1382499338.db2.gz SZJKHVZOECBDHS-UHFFFAOYSA-N 1 2 348.491 3.459 20 30 EGEDLO Cc1oncc1CNc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(C)[nH+]1 ZINC001162268833 1382718272 /nfs/dbraw/zinc/71/82/72/1382718272.db2.gz CQMAMICFZJRDHL-MUXBSTOZSA-N 1 2 334.445 3.180 20 30 EGEDLO N#CCc1ccc[nH+]c1NC1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001164264456 1383172754 /nfs/dbraw/zinc/17/27/54/1383172754.db2.gz XCPREDPJORAKFV-UHFFFAOYSA-N 1 2 338.386 3.003 20 30 EGEDLO N#Cc1cc(Cl)ncc1C(F)(F)N1CCC(n2cc[nH+]c2)CC1 ZINC001165159683 1383239192 /nfs/dbraw/zinc/23/91/92/1383239192.db2.gz MWLAOJYWLFJKRV-UHFFFAOYSA-N 1 2 337.761 3.190 20 30 EGEDLO COc1ccc2ncc(C#N)c(OCc3cc[nH+]c(N(C)C)c3)c2c1 ZINC001166441819 1383423180 /nfs/dbraw/zinc/42/31/80/1383423180.db2.gz TXAFNSKRVLSEOI-UHFFFAOYSA-N 1 2 334.379 3.155 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1(C[NH2+]CC(F)(F)C(F)F)CC1 ZINC001166770200 1383475529 /nfs/dbraw/zinc/47/55/29/1383475529.db2.gz NLNZWQNBANJTPQ-GFCCVEGCSA-N 1 2 338.389 3.365 20 30 EGEDLO C=C1CC(C)(C(=O)NCCC2(C[NH2+]CC(F)(F)C(F)F)CC2)C1 ZINC001167130780 1383547943 /nfs/dbraw/zinc/54/79/43/1383547943.db2.gz YFOJMCPYYDVDNP-UHFFFAOYSA-N 1 2 336.373 3.119 20 30 EGEDLO C=C(C)C(=O)NCCCNc1cc[nH+]c2[nH]cc(C(F)(F)F)c21 ZINC001167669670 1383705893 /nfs/dbraw/zinc/70/58/93/1383705893.db2.gz MERITDGPNNRWBV-UHFFFAOYSA-N 1 2 326.322 3.076 20 30 EGEDLO N#Cc1cc(C(F)(F)F)cnc1NCCc1cn2ccccc2[nH+]1 ZINC001169002913 1384084804 /nfs/dbraw/zinc/08/48/04/1384084804.db2.gz TUOIRXAYGSIACS-UHFFFAOYSA-N 1 2 331.301 3.274 20 30 EGEDLO C[NH+](C)Cc1cccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)n1 ZINC001169047539 1384100279 /nfs/dbraw/zinc/10/02/79/1384100279.db2.gz QHKWTBKYNYZWQL-UHFFFAOYSA-N 1 2 341.798 3.085 20 30 EGEDLO COc1ccc(CNc2ccc(-c3cnn(C)c3)c(C)[nH+]2)cc1C#N ZINC001308414462 1384124695 /nfs/dbraw/zinc/12/46/95/1384124695.db2.gz LXZYRPUTDRZPBL-UHFFFAOYSA-N 1 2 333.395 3.283 20 30 EGEDLO CC(C)(S)CNc1ccc(-c2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC001170305375 1384287222 /nfs/dbraw/zinc/28/72/22/1384287222.db2.gz XKHDBINGMCKNLM-UHFFFAOYSA-N 1 2 325.441 3.450 20 30 EGEDLO COC(=O)[C@H](CCc1ccccc1)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171189652 1384464784 /nfs/dbraw/zinc/46/47/84/1384464784.db2.gz ILXHCFNIYRTFGA-UZLBHIALSA-N 1 2 336.435 3.253 20 30 EGEDLO COC(=O)[C@H](CCc1ccccc1)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171189651 1384464949 /nfs/dbraw/zinc/46/49/49/1384464949.db2.gz ILXHCFNIYRTFGA-JXFKEZNVSA-N 1 2 336.435 3.253 20 30 EGEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1Cc2cnn(C3CCOCC3)c2C1 ZINC001171229532 1384474823 /nfs/dbraw/zinc/47/48/23/1384474823.db2.gz OLZYUMGYEKBIQD-OAHLLOKOSA-N 1 2 336.439 3.053 20 30 EGEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1Cc2cnn(C3CCOCC3)c2C1 ZINC001171229532 1384474827 /nfs/dbraw/zinc/47/48/27/1384474827.db2.gz OLZYUMGYEKBIQD-OAHLLOKOSA-N 1 2 336.439 3.053 20 30 EGEDLO CCC[C@@](C)(C#N)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171257339 1384480414 /nfs/dbraw/zinc/48/04/14/1384480414.db2.gz YKKJFOHNQHSVPS-DLZDZTESSA-N 1 2 325.456 3.494 20 30 EGEDLO COC(=O)C1(C#N)CC[NH+]([C@@H](C)Cc2c(F)cccc2Cl)CC1 ZINC001172860072 1384866419 /nfs/dbraw/zinc/86/64/19/1384866419.db2.gz DFJANKRQULNASR-LBPRGKRZSA-N 1 2 338.810 3.189 20 30 EGEDLO C[C@H]1c2cccn2CC[N@@H+]1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172989543 1384895689 /nfs/dbraw/zinc/89/56/89/1384895689.db2.gz ITERPVWMADDLFY-XHSDSOJGSA-N 1 2 344.459 3.156 20 30 EGEDLO C[C@H]1c2cccn2CC[N@H+]1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172989543 1384895691 /nfs/dbraw/zinc/89/56/91/1384895691.db2.gz ITERPVWMADDLFY-XHSDSOJGSA-N 1 2 344.459 3.156 20 30 EGEDLO C#Cc1ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)cc1F ZINC001174433478 1385108232 /nfs/dbraw/zinc/10/82/32/1385108232.db2.gz BYOHIOMSBUFWKQ-UHFFFAOYSA-N 1 2 340.398 3.262 20 30 EGEDLO Cc1cccc(C(=O)NCC[N@@H+](C)Cc2ccc(C#N)cc2F)c1F ZINC001317446424 1385146955 /nfs/dbraw/zinc/14/69/55/1385146955.db2.gz CWVKCRFARLLCOZ-UHFFFAOYSA-N 1 2 343.377 3.007 20 30 EGEDLO Cc1cccc(C(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2F)c1F ZINC001317446424 1385146957 /nfs/dbraw/zinc/14/69/57/1385146957.db2.gz CWVKCRFARLLCOZ-UHFFFAOYSA-N 1 2 343.377 3.007 20 30 EGEDLO Cc1nc(Nc2ccc(F)c(C#N)c2)cc(N2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC001176613053 1385640699 /nfs/dbraw/zinc/64/06/99/1385640699.db2.gz PXIOOHMWSFAVLT-RYUDHWBXSA-N 1 2 341.390 3.153 20 30 EGEDLO Cc1cc(C[N@@H+]2CCCN(c3cc(Cl)ccc3C#N)CC2)no1 ZINC001318655907 1385820199 /nfs/dbraw/zinc/82/01/99/1385820199.db2.gz VQRLPZBRSBULEV-UHFFFAOYSA-N 1 2 330.819 3.220 20 30 EGEDLO Cc1cc(C[N@H+]2CCCN(c3cc(Cl)ccc3C#N)CC2)no1 ZINC001318655907 1385820203 /nfs/dbraw/zinc/82/02/03/1385820203.db2.gz VQRLPZBRSBULEV-UHFFFAOYSA-N 1 2 330.819 3.220 20 30 EGEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCCCCCCCC)C[C@H]21 ZINC001177138497 1385829024 /nfs/dbraw/zinc/82/90/24/1385829024.db2.gz LWFBMPQWMHZSKX-WOJBJXKFSA-N 1 2 348.531 3.452 20 30 EGEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCCCCCCC)C[C@H]21 ZINC001177138497 1385829029 /nfs/dbraw/zinc/82/90/29/1385829029.db2.gz LWFBMPQWMHZSKX-WOJBJXKFSA-N 1 2 348.531 3.452 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2nc(C(C)(C)C)no2)[C@@H]1C ZINC001178805666 1386311468 /nfs/dbraw/zinc/31/14/68/1386311468.db2.gz JMUAGDDLDIPPDM-KKUMJFAQSA-N 1 2 348.491 3.363 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc2nccc(C)c2c1 ZINC001329448001 1389113457 /nfs/dbraw/zinc/11/34/57/1389113457.db2.gz AIXKOXMOGFTVJV-AWEZNQCLSA-N 1 2 331.847 3.346 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc2nccc(C)c2c1 ZINC001329448001 1389113458 /nfs/dbraw/zinc/11/34/58/1389113458.db2.gz AIXKOXMOGFTVJV-AWEZNQCLSA-N 1 2 331.847 3.346 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C(C)(C)c2ccccc2C)C1 ZINC001330086590 1389305973 /nfs/dbraw/zinc/30/59/73/1389305973.db2.gz SQZZOLOFDPUCNP-HNNXBMFYSA-N 1 2 334.891 3.462 20 30 EGEDLO C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCC[N@@H+]2C)n1C ZINC001339929804 1390192273 /nfs/dbraw/zinc/19/22/73/1390192273.db2.gz BEYJXWOWGUDMOY-QGZVFWFLSA-N 1 2 343.450 3.304 20 30 EGEDLO C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCC[N@H+]2C)n1C ZINC001339929804 1390192274 /nfs/dbraw/zinc/19/22/74/1390192274.db2.gz BEYJXWOWGUDMOY-QGZVFWFLSA-N 1 2 343.450 3.304 20 30 EGEDLO CC[C@@H]1[C@@H](C)CCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CC ZINC001340152996 1390237813 /nfs/dbraw/zinc/23/78/13/1390237813.db2.gz WMEXICMVOZLWLR-DOTOQJQBSA-N 1 2 344.507 3.016 20 30 EGEDLO CCO[C@H]1C[C@]([NH2+]CCCCC2(C#N)CCC2)(C(=O)OC)C1(C)C ZINC001333439818 1390304775 /nfs/dbraw/zinc/30/47/75/1390304775.db2.gz FIUXPBAZDCZLQN-KXBFYZLASA-N 1 2 336.476 3.187 20 30 EGEDLO Cc1cc(N2CCN(c3ccsc3C#N)CC2)nc(C2CCC2)[nH+]1 ZINC001333813639 1390413336 /nfs/dbraw/zinc/41/33/36/1390413336.db2.gz KOBRSXCIPGVSDP-UHFFFAOYSA-N 1 2 339.468 3.312 20 30 EGEDLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 ZINC001343273385 1390704123 /nfs/dbraw/zinc/70/41/23/1390704123.db2.gz HIRFRORVMYSUTB-TZMCWYRMSA-N 1 2 331.416 3.484 20 30 EGEDLO CC(C)[N@H+]1CCC[C@@H]1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 ZINC001343273385 1390704126 /nfs/dbraw/zinc/70/41/26/1390704126.db2.gz HIRFRORVMYSUTB-TZMCWYRMSA-N 1 2 331.416 3.484 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N(CCC#N)CCC(C)C ZINC001343457591 1390715339 /nfs/dbraw/zinc/71/53/39/1390715339.db2.gz PMFWRIJJFCCWRF-QGZVFWFLSA-N 1 2 344.507 3.387 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N(CCC#N)CCC(C)C ZINC001343457591 1390715340 /nfs/dbraw/zinc/71/53/40/1390715340.db2.gz PMFWRIJJFCCWRF-QGZVFWFLSA-N 1 2 344.507 3.387 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001343456833 1390715364 /nfs/dbraw/zinc/71/53/64/1390715364.db2.gz JECHTRRGCKDSEP-HNNXBMFYSA-N 1 2 347.507 3.015 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001343456833 1390715365 /nfs/dbraw/zinc/71/53/65/1390715365.db2.gz JECHTRRGCKDSEP-HNNXBMFYSA-N 1 2 347.507 3.015 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@@H](C2CCC2)C1 ZINC001343457336 1390715378 /nfs/dbraw/zinc/71/53/78/1390715378.db2.gz NDTDVYXMLCXWMB-IAGOWNOFSA-N 1 2 329.492 3.247 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H](C2CCC2)C1 ZINC001343457336 1390715380 /nfs/dbraw/zinc/71/53/80/1390715380.db2.gz NDTDVYXMLCXWMB-IAGOWNOFSA-N 1 2 329.492 3.247 20 30 EGEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(C)CCCC ZINC001343947271 1390745796 /nfs/dbraw/zinc/74/57/96/1390745796.db2.gz JZPXWAJDXUMGBN-IRXDYDNUSA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(C)CCCC ZINC001343947271 1390745797 /nfs/dbraw/zinc/74/57/97/1390745797.db2.gz JZPXWAJDXUMGBN-IRXDYDNUSA-N 1 2 347.507 3.016 20 30 EGEDLO C=CCC[C@H]1CCCN1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC001347216480 1391029646 /nfs/dbraw/zinc/02/96/46/1391029646.db2.gz OLEDDSRJCWKSTG-KRWDZBQOSA-N 1 2 326.444 3.325 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCc2nc3ccccc3o2)C1 ZINC001479914300 1392482206 /nfs/dbraw/zinc/48/22/06/1392482206.db2.gz KQYRHBOCCQFKGM-CQSZACIVSA-N 1 2 347.846 3.094 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCc2nc3ccccc3o2)C1 ZINC001479914300 1392482208 /nfs/dbraw/zinc/48/22/08/1392482208.db2.gz KQYRHBOCCQFKGM-CQSZACIVSA-N 1 2 347.846 3.094 20 30 EGEDLO CCC[C@](C)(CC)C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001481652856 1394433015 /nfs/dbraw/zinc/43/30/15/1394433015.db2.gz WCQQEPKPNFDTBO-FQEVSTJZSA-N 1 2 345.462 3.462 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1ccc(F)cc1Cl ZINC001725176277 1425692766 /nfs/dbraw/zinc/69/27/66/1425692766.db2.gz JDYMWOJRQOUZHZ-NSHDSACASA-N 1 2 333.234 3.211 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1ccc(F)cc1Cl ZINC001725176277 1425692767 /nfs/dbraw/zinc/69/27/67/1425692767.db2.gz JDYMWOJRQOUZHZ-NSHDSACASA-N 1 2 333.234 3.211 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H](C)c1cccc(OC)c1)C1CC1 ZINC001691237327 1405177746 /nfs/dbraw/zinc/17/77/46/1405177746.db2.gz XHXWSQIUCYFMAX-AWEZNQCLSA-N 1 2 336.863 3.132 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H](C)c1cccc(OC)c1)C1CC1 ZINC001691237327 1405177749 /nfs/dbraw/zinc/17/77/49/1405177749.db2.gz XHXWSQIUCYFMAX-AWEZNQCLSA-N 1 2 336.863 3.132 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cnn(C(C)C)c2)C1 ZINC001691866559 1405585798 /nfs/dbraw/zinc/58/57/98/1405585798.db2.gz AMAHYSQGDCJPFP-MRXNPFEDSA-N 1 2 338.883 3.143 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cnn(C(C)C)c2)C1 ZINC001691866559 1405585800 /nfs/dbraw/zinc/58/58/00/1405585800.db2.gz AMAHYSQGDCJPFP-MRXNPFEDSA-N 1 2 338.883 3.143 20 30 EGEDLO CC(F)(F)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001692093275 1405768840 /nfs/dbraw/zinc/76/88/40/1405768840.db2.gz YDNAJXRXRPMCHB-MRXNPFEDSA-N 1 2 335.398 3.074 20 30 EGEDLO CC(F)(F)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001692093275 1405768845 /nfs/dbraw/zinc/76/88/45/1405768845.db2.gz YDNAJXRXRPMCHB-MRXNPFEDSA-N 1 2 335.398 3.074 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)Cn2ccc3ccccc32)C1 ZINC001698585031 1406199932 /nfs/dbraw/zinc/19/99/32/1406199932.db2.gz AUVXZPYQBVUWTA-KRWDZBQOSA-N 1 2 345.874 3.317 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)Cn2ccc3ccccc32)C1 ZINC001698585031 1406199937 /nfs/dbraw/zinc/19/99/37/1406199937.db2.gz AUVXZPYQBVUWTA-KRWDZBQOSA-N 1 2 345.874 3.317 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(C)oc1C(F)(F)F ZINC001699464569 1412827693 /nfs/dbraw/zinc/82/76/93/1412827693.db2.gz SIKKGSZNXGLUNS-SECBINFHSA-N 1 2 338.757 3.409 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(C)oc1C(F)(F)F ZINC001699464569 1412827694 /nfs/dbraw/zinc/82/76/94/1412827694.db2.gz SIKKGSZNXGLUNS-SECBINFHSA-N 1 2 338.757 3.409 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1cccc(OC(C)C)c1 ZINC001700488208 1414136695 /nfs/dbraw/zinc/13/66/95/1414136695.db2.gz TYNSFZPDUPTWDI-HNNXBMFYSA-N 1 2 338.879 3.205 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1cccc(OC(C)C)c1 ZINC001700488208 1414136697 /nfs/dbraw/zinc/13/66/97/1414136697.db2.gz TYNSFZPDUPTWDI-HNNXBMFYSA-N 1 2 338.879 3.205 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C2(c3ccccc3C)CC2)C1 ZINC001700548845 1414217971 /nfs/dbraw/zinc/21/79/71/1414217971.db2.gz DNAOXTMDUKLKST-OAHLLOKOSA-N 1 2 332.875 3.216 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](C)OCc1cccc(C)c1 ZINC001732588315 1428806100 /nfs/dbraw/zinc/80/61/00/1428806100.db2.gz OWFMYSITAHGNKO-INIZCTEOSA-N 1 2 338.879 3.043 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](C)OCc1cccc(C)c1 ZINC001732588315 1428806104 /nfs/dbraw/zinc/80/61/04/1428806104.db2.gz OWFMYSITAHGNKO-INIZCTEOSA-N 1 2 338.879 3.043 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H](NC(=O)C(CC)CC)[C@@H]1C ZINC001700882647 1414539677 /nfs/dbraw/zinc/53/96/77/1414539677.db2.gz ZXRBWBOQOUMYMY-JSGCOSHPSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)C(CC)CC)[C@@H]1C ZINC001700882647 1414539678 /nfs/dbraw/zinc/53/96/78/1414539678.db2.gz ZXRBWBOQOUMYMY-JSGCOSHPSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1sc(CC2CC2)nc1C ZINC001713494576 1418198987 /nfs/dbraw/zinc/19/89/87/1418198987.db2.gz ATCBUJMTNNCARM-UHFFFAOYSA-N 1 2 341.908 3.208 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1sc(CC2CC2)nc1C ZINC001713494576 1418198991 /nfs/dbraw/zinc/19/89/91/1418198991.db2.gz ATCBUJMTNNCARM-UHFFFAOYSA-N 1 2 341.908 3.208 20 30 EGEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)C(C)(C)C(F)F ZINC001713551004 1418331590 /nfs/dbraw/zinc/33/15/90/1418331590.db2.gz WJTALPLWRFNXAN-UHFFFAOYSA-N 1 2 341.240 3.015 20 30 EGEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)C(C)(C)C(F)F ZINC001713551004 1418331595 /nfs/dbraw/zinc/33/15/95/1418331595.db2.gz WJTALPLWRFNXAN-UHFFFAOYSA-N 1 2 341.240 3.015 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C(C)(C)c1ccc(OC)cc1 ZINC001714600581 1419357165 /nfs/dbraw/zinc/35/71/65/1419357165.db2.gz XAYPMUBUEPUVNA-UHFFFAOYSA-N 1 2 338.879 3.163 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C(C)(C)c1ccc(OC)cc1 ZINC001714600581 1419357169 /nfs/dbraw/zinc/35/71/69/1419357169.db2.gz XAYPMUBUEPUVNA-UHFFFAOYSA-N 1 2 338.879 3.163 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cc3cccn3cn2)C1 ZINC001714857656 1419576192 /nfs/dbraw/zinc/57/61/92/1419576192.db2.gz YUYLPXBSCMZGEK-MRXNPFEDSA-N 1 2 346.862 3.013 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cc3cccn3cn2)C1 ZINC001714857656 1419576195 /nfs/dbraw/zinc/57/61/95/1419576195.db2.gz YUYLPXBSCMZGEK-MRXNPFEDSA-N 1 2 346.862 3.013 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](C)Cc2ccccc2Cl)C1 ZINC001714974130 1419708564 /nfs/dbraw/zinc/70/85/64/1419708564.db2.gz QMBLGTFGUZVWJC-LBPRGKRZSA-N 1 2 341.282 3.319 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc(C)c2ccccc21 ZINC001717491949 1421431152 /nfs/dbraw/zinc/43/11/52/1421431152.db2.gz SJZXRKOWVKCWLL-HNNXBMFYSA-N 1 2 333.863 3.139 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cn1cc(C)c2ccccc21 ZINC001717491949 1421431153 /nfs/dbraw/zinc/43/11/53/1421431153.db2.gz SJZXRKOWVKCWLL-HNNXBMFYSA-N 1 2 333.863 3.139 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2c[nH]c3cc(C)ccc23)C1 ZINC001717561983 1421497688 /nfs/dbraw/zinc/49/76/88/1421497688.db2.gz WUVQCAWDYVWXQW-AWEZNQCLSA-N 1 2 345.874 3.208 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H](NC(=O)CCC2CC2)[C@H]1C ZINC001725648490 1426330481 /nfs/dbraw/zinc/33/04/81/1426330481.db2.gz YXCBMRDLPMVYGM-OCCSQVGLSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)CCC2CC2)[C@H]1C ZINC001725648490 1426330485 /nfs/dbraw/zinc/33/04/85/1426330485.db2.gz YXCBMRDLPMVYGM-OCCSQVGLSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@H]1C[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001731546756 1427563735 /nfs/dbraw/zinc/56/37/35/1427563735.db2.gz QWZMRQCWAVWVJO-HNNXBMFYSA-N 1 2 348.491 3.194 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnc2ccc(F)cc2c1 ZINC001734055589 1437846120 /nfs/dbraw/zinc/84/61/20/1437846120.db2.gz ARXDHFUOPBEXHW-LBPRGKRZSA-N 1 2 335.810 3.177 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnc2ccc(F)cc2c1 ZINC001734055589 1437846122 /nfs/dbraw/zinc/84/61/22/1437846122.db2.gz ARXDHFUOPBEXHW-LBPRGKRZSA-N 1 2 335.810 3.177 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cnc2ccc(F)cc2c1 ZINC001734055587 1437846209 /nfs/dbraw/zinc/84/62/09/1437846209.db2.gz ARXDHFUOPBEXHW-GFCCVEGCSA-N 1 2 335.810 3.177 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cnc2ccc(F)cc2c1 ZINC001734055587 1437846211 /nfs/dbraw/zinc/84/62/11/1437846211.db2.gz ARXDHFUOPBEXHW-GFCCVEGCSA-N 1 2 335.810 3.177 20 30 EGEDLO CCCN(C(=O)[C@@H](C)C#N)C1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC001752432406 1440178930 /nfs/dbraw/zinc/17/89/30/1440178930.db2.gz STCIECDVAQMXLL-OQZOHAQUSA-N 1 2 332.275 3.168 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@@H]2C[N@H+](Cc3nnc(C)s3)CC[C@@H]21 ZINC001752707773 1440203036 /nfs/dbraw/zinc/20/30/36/1440203036.db2.gz PMUBHFQMQQBEHX-CVEARBPZSA-N 1 2 348.516 3.016 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@@H]2C[N@@H+](Cc3nnc(C)s3)CC[C@@H]21 ZINC001752707773 1440203037 /nfs/dbraw/zinc/20/30/37/1440203037.db2.gz PMUBHFQMQQBEHX-CVEARBPZSA-N 1 2 348.516 3.016 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)c2nnc(C)s2)C1 ZINC001752783877 1440210174 /nfs/dbraw/zinc/21/01/74/1440210174.db2.gz QRXVDHDQWXGCLB-UKRRQHHQSA-N 1 2 336.505 3.092 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1CCC[N@H+]([C@H](C)c2nnc(C)s2)C1 ZINC001752783877 1440210175 /nfs/dbraw/zinc/21/01/75/1440210175.db2.gz QRXVDHDQWXGCLB-UKRRQHHQSA-N 1 2 336.505 3.092 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=C)Br ZINC001752821752 1440221013 /nfs/dbraw/zinc/22/10/13/1440221013.db2.gz RWFUYLXUEUWWQW-AWEZNQCLSA-N 1 2 329.282 3.222 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=C)Br ZINC001752821752 1440221014 /nfs/dbraw/zinc/22/10/14/1440221014.db2.gz RWFUYLXUEUWWQW-AWEZNQCLSA-N 1 2 329.282 3.222 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ncc(CC)o2)C1 ZINC001752992661 1440260073 /nfs/dbraw/zinc/26/00/73/1440260073.db2.gz QQIJJSAJPUICKJ-OAHLLOKOSA-N 1 2 333.476 3.262 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ncc(CC)o2)C1 ZINC001752992661 1440260074 /nfs/dbraw/zinc/26/00/74/1440260074.db2.gz QQIJJSAJPUICKJ-OAHLLOKOSA-N 1 2 333.476 3.262 20 30 EGEDLO C=CC(C)(C)C(=O)NCC[N@@H+](C)Cc1coc(-c2ccccc2)n1 ZINC001753059720 1440282721 /nfs/dbraw/zinc/28/27/21/1440282721.db2.gz RDUDOIQIIMFQLB-UHFFFAOYSA-N 1 2 327.428 3.102 20 30 EGEDLO C=CC(C)(C)C(=O)NCC[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC001753059720 1440282722 /nfs/dbraw/zinc/28/27/22/1440282722.db2.gz RDUDOIQIIMFQLB-UHFFFAOYSA-N 1 2 327.428 3.102 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C(C)(C)c1cccc(Cl)c1 ZINC001753068314 1440286756 /nfs/dbraw/zinc/28/67/56/1440286756.db2.gz ZJCGWTHUFNBQSA-UHFFFAOYSA-N 1 2 329.271 3.418 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C(C)(C)c1cccc(Cl)c1 ZINC001753068314 1440286757 /nfs/dbraw/zinc/28/67/57/1440286757.db2.gz ZJCGWTHUFNBQSA-UHFFFAOYSA-N 1 2 329.271 3.418 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C[C@@H]1CCO[C@H](C(C)C)C1 ZINC001753092769 1440300351 /nfs/dbraw/zinc/30/03/51/1440300351.db2.gz NABCLBWKFMJVGF-CVEARBPZSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C[C@@H]1CCO[C@H](C(C)C)C1 ZINC001753092769 1440300352 /nfs/dbraw/zinc/30/03/52/1440300352.db2.gz NABCLBWKFMJVGF-CVEARBPZSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccn(C(C)C)n1 ZINC001753109819 1440308026 /nfs/dbraw/zinc/30/80/26/1440308026.db2.gz GQKMHECXZCWQSW-SJLPKXTDSA-N 1 2 332.492 3.147 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccn(C(C)C)n1 ZINC001753109819 1440308027 /nfs/dbraw/zinc/30/80/27/1440308027.db2.gz GQKMHECXZCWQSW-SJLPKXTDSA-N 1 2 332.492 3.147 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cccc(N2CCCC2)c1)C1CC1 ZINC001753162106 1440334391 /nfs/dbraw/zinc/33/43/91/1440334391.db2.gz XRYFBNDEHSARPR-UHFFFAOYSA-N 1 2 347.890 3.234 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cccc(N2CCCC2)c1)C1CC1 ZINC001753162106 1440334392 /nfs/dbraw/zinc/33/43/92/1440334392.db2.gz XRYFBNDEHSARPR-UHFFFAOYSA-N 1 2 347.890 3.234 20 30 EGEDLO CC(C)[C@H]1C[C@H]1C(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001753162177 1440334613 /nfs/dbraw/zinc/33/46/13/1440334613.db2.gz YQNXZUSYJAFWLW-QZTJIDSGSA-N 1 2 343.446 3.070 20 30 EGEDLO CC(C)[C@H]1C[C@H]1C(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001753162177 1440334614 /nfs/dbraw/zinc/33/46/14/1440334614.db2.gz YQNXZUSYJAFWLW-QZTJIDSGSA-N 1 2 343.446 3.070 20 30 EGEDLO C#CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(C)c(C)s1 ZINC001753305941 1440355360 /nfs/dbraw/zinc/35/53/60/1440355360.db2.gz WTWOATRFSKKRAV-CALCHBBNSA-N 1 2 345.512 3.129 20 30 EGEDLO C#CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(C)c(C)s1 ZINC001753305941 1440355361 /nfs/dbraw/zinc/35/53/61/1440355361.db2.gz WTWOATRFSKKRAV-CALCHBBNSA-N 1 2 345.512 3.129 20 30 EGEDLO C=CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cncs2)CCCC1 ZINC001753311503 1440356686 /nfs/dbraw/zinc/35/66/86/1440356686.db2.gz CVDVGMNPCSEKDH-IYBDPMFKSA-N 1 2 345.512 3.455 20 30 EGEDLO C=CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cncs2)CCCC1 ZINC001753311503 1440356687 /nfs/dbraw/zinc/35/66/87/1440356687.db2.gz CVDVGMNPCSEKDH-IYBDPMFKSA-N 1 2 345.512 3.455 20 30 EGEDLO CCCC[C@H](C)C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001753401421 1440390978 /nfs/dbraw/zinc/39/09/78/1440390978.db2.gz DWVDHJRQSDXGJX-AWEZNQCLSA-N 1 2 331.435 3.072 20 30 EGEDLO CCCCCCC(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001753415175 1440394162 /nfs/dbraw/zinc/39/41/62/1440394162.db2.gz PNMZRPPIXSILPU-UHFFFAOYSA-N 1 2 331.435 3.216 20 30 EGEDLO CN(C(=O)/C=C/C(C)(C)C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001753432354 1440398946 /nfs/dbraw/zinc/39/89/46/1440398946.db2.gz PRHNJPWOVFPQLT-PDFOZTTASA-N 1 2 343.446 3.332 20 30 EGEDLO CN(C(=O)/C=C/C(C)(C)C)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001753432354 1440398947 /nfs/dbraw/zinc/39/89/47/1440398947.db2.gz PRHNJPWOVFPQLT-PDFOZTTASA-N 1 2 343.446 3.332 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001753444184 1440402917 /nfs/dbraw/zinc/40/29/17/1440402917.db2.gz MJFOLYCEMKKVOF-CRAIPNDOSA-N 1 2 335.879 3.370 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001753444184 1440402918 /nfs/dbraw/zinc/40/29/18/1440402918.db2.gz MJFOLYCEMKKVOF-CRAIPNDOSA-N 1 2 335.879 3.370 20 30 EGEDLO C=C(C)CCC(=O)N[C@@]1(C[NH2+]Cc2noc(CC)n2)CCCC[C@H]1C ZINC001753533923 1440431884 /nfs/dbraw/zinc/43/18/84/1440431884.db2.gz NEKFVPULCPQNFV-DNVCBOLYSA-N 1 2 348.491 3.143 20 30 EGEDLO C[C@@H](CC(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N)c1ccco1 ZINC001753875670 1440519341 /nfs/dbraw/zinc/51/93/41/1440519341.db2.gz PKVFFOGLAGBBRS-INIZCTEOSA-N 1 2 339.439 3.235 20 30 EGEDLO C[C@@H](CC(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N)c1ccco1 ZINC001753875670 1440519342 /nfs/dbraw/zinc/51/93/42/1440519342.db2.gz PKVFFOGLAGBBRS-INIZCTEOSA-N 1 2 339.439 3.235 20 30 EGEDLO C=CCC1(C(=O)N[C@@H](C)C[NH2+][C@H](C)c2nnc(C)o2)CCCCC1 ZINC001754295326 1440566320 /nfs/dbraw/zinc/56/63/20/1440566320.db2.gz USJXOVXZILKJHS-UONOGXRCSA-N 1 2 334.464 3.060 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H]2CC[N@H+]2Cc2cc(C)ns2)CCCC1 ZINC001754504346 1440615754 /nfs/dbraw/zinc/61/57/54/1440615754.db2.gz HJNOHJOYSFJXKU-HNNXBMFYSA-N 1 2 333.501 3.279 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cc(C)ns2)CCCC1 ZINC001754504346 1440615755 /nfs/dbraw/zinc/61/57/55/1440615755.db2.gz HJNOHJOYSFJXKU-HNNXBMFYSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)C[C@@H](C)CC)CC1 ZINC001754625807 1440646457 /nfs/dbraw/zinc/64/64/57/1440646457.db2.gz HYFVSZHDIGVMFI-LBPRGKRZSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC1(C)CC[NH+]([C@@H](C)c2nc(C)no2)CC1 ZINC001754627891 1440646718 /nfs/dbraw/zinc/64/67/18/1440646718.db2.gz BMYBWKHMPBCTAF-ZFWWWQNUSA-N 1 2 334.464 3.012 20 30 EGEDLO C#CCN(C(=O)c1ccoc1Cl)C1CC[NH+](CC(=C)Cl)CC1 ZINC001754635607 1440648490 /nfs/dbraw/zinc/64/84/90/1440648490.db2.gz JNEXWMYBNTVLLD-UHFFFAOYSA-N 1 2 341.238 3.225 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)Cc2cccc(F)c2)C1 ZINC001754685683 1440664841 /nfs/dbraw/zinc/66/48/41/1440664841.db2.gz PUBZKUYQSXXFGJ-SCLBCKFNSA-N 1 2 338.854 3.337 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)Cc2cccc(F)c2)C1 ZINC001754685683 1440664842 /nfs/dbraw/zinc/66/48/42/1440664842.db2.gz PUBZKUYQSXXFGJ-SCLBCKFNSA-N 1 2 338.854 3.337 20 30 EGEDLO C/C=C(\C)C(=O)NC[C@@]1(C)CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001754724838 1440675205 /nfs/dbraw/zinc/67/52/05/1440675205.db2.gz HXHJOIWPYFVCFC-FYGBFIRESA-N 1 2 343.446 3.382 20 30 EGEDLO C/C=C(\C)C(=O)NC[C@@]1(C)CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001754724838 1440675206 /nfs/dbraw/zinc/67/52/06/1440675206.db2.gz HXHJOIWPYFVCFC-FYGBFIRESA-N 1 2 343.446 3.382 20 30 EGEDLO C=CCCCCC[N@H+]1CCOC[C@H]1CNC(=O)C(F)=C1CCCC1 ZINC001754964404 1440718135 /nfs/dbraw/zinc/71/81/35/1440718135.db2.gz ADIRVRYYCZFYDL-QGZVFWFLSA-N 1 2 338.467 3.347 20 30 EGEDLO C=CCCCCC[N@@H+]1CCOC[C@H]1CNC(=O)C(F)=C1CCCC1 ZINC001754964404 1440718136 /nfs/dbraw/zinc/71/81/36/1440718136.db2.gz ADIRVRYYCZFYDL-QGZVFWFLSA-N 1 2 338.467 3.347 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2nc(CC(C)C)no2)CC1 ZINC001755024820 1440728253 /nfs/dbraw/zinc/72/82/53/1440728253.db2.gz JDONMQFNDVVPRV-INIZCTEOSA-N 1 2 348.491 3.095 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CCC[N@H+](Cc2nc(CC(C)C)no2)CC1 ZINC001755024820 1440728254 /nfs/dbraw/zinc/72/82/54/1440728254.db2.gz JDONMQFNDVVPRV-INIZCTEOSA-N 1 2 348.491 3.095 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2csnn2)CC1 ZINC001755025401 1440728586 /nfs/dbraw/zinc/72/85/86/1440728586.db2.gz UCOGQHRTGGRRTN-KGLIPLIRSA-N 1 2 336.505 3.172 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2csnn2)CC1 ZINC001755025401 1440728587 /nfs/dbraw/zinc/72/85/87/1440728587.db2.gz UCOGQHRTGGRRTN-KGLIPLIRSA-N 1 2 336.505 3.172 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)CC(C)(C)C)C[C@@H]1C ZINC001755158507 1440763727 /nfs/dbraw/zinc/76/37/27/1440763727.db2.gz VZJGUSLJCDUHAK-QWHCGFSZSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)C)C[C@@H]1C ZINC001755158507 1440763728 /nfs/dbraw/zinc/76/37/28/1440763728.db2.gz VZJGUSLJCDUHAK-QWHCGFSZSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cccc(F)c1OCC ZINC001755321569 1440818644 /nfs/dbraw/zinc/81/86/44/1440818644.db2.gz PPOOKNIPGLQZEE-GFCCVEGCSA-N 1 2 328.815 3.027 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cccc(F)c1OCC ZINC001755321569 1440818645 /nfs/dbraw/zinc/81/86/45/1440818645.db2.gz PPOOKNIPGLQZEE-GFCCVEGCSA-N 1 2 328.815 3.027 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@H]1C[N@H+](Cc2ccc(F)cc2F)CC1(C)C ZINC001755407472 1440844879 /nfs/dbraw/zinc/84/48/79/1440844879.db2.gz LXOAWRLJPLVECA-KRWDZBQOSA-N 1 2 348.437 3.341 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@H]1C[N@@H+](Cc2ccc(F)cc2F)CC1(C)C ZINC001755407472 1440844880 /nfs/dbraw/zinc/84/48/80/1440844880.db2.gz LXOAWRLJPLVECA-KRWDZBQOSA-N 1 2 348.437 3.341 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@@H]([NH2+]Cc2nc(CCCC)no2)C[C@H]1C ZINC001755676895 1440894646 /nfs/dbraw/zinc/89/46/46/1440894646.db2.gz SNRVRIQOLVEMBX-CABCVRRESA-N 1 2 348.491 3.094 20 30 EGEDLO C=C(C)CCC(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1nnc(CC)s1)CC2 ZINC001755702228 1440900795 /nfs/dbraw/zinc/90/07/95/1440900795.db2.gz OTLJLOLYZRTVCB-KSSFIOAISA-N 1 2 348.516 3.070 20 30 EGEDLO C=C(C)CCC(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1nnc(CC)s1)CC2 ZINC001755702228 1440900796 /nfs/dbraw/zinc/90/07/96/1440900796.db2.gz OTLJLOLYZRTVCB-KSSFIOAISA-N 1 2 348.516 3.070 20 30 EGEDLO C[C@H]1[C@H](NC(=O)CCC2CC2)CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001755725354 1440909180 /nfs/dbraw/zinc/90/91/80/1440909180.db2.gz GKZXCBRGILKPHG-IFXJQAMLSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@H]1[C@H](NC(=O)CCC2CC2)CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001755725354 1440909181 /nfs/dbraw/zinc/90/91/81/1440909181.db2.gz GKZXCBRGILKPHG-IFXJQAMLSA-N 1 2 343.446 3.357 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)c1cnc(C2CC2)o1)C(C)C ZINC001755813278 1440921780 /nfs/dbraw/zinc/92/17/80/1440921780.db2.gz LSKDMAJSZBGWJV-UHFFFAOYSA-N 1 2 325.840 3.087 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)c1cnc(C2CC2)o1)C(C)C ZINC001755813278 1440921781 /nfs/dbraw/zinc/92/17/81/1440921781.db2.gz LSKDMAJSZBGWJV-UHFFFAOYSA-N 1 2 325.840 3.087 20 30 EGEDLO C=CC[NH+]1CCN(c2cnc(Cl)nc2Oc2ccccc2)CC1 ZINC001165034432 721873167 /nfs/dbraw/zinc/87/31/67/721873167.db2.gz KDBJIFRYAHIYEG-UHFFFAOYSA-N 1 2 330.819 3.230 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000056315960 214369744 /nfs/dbraw/zinc/36/97/44/214369744.db2.gz YXKLPYUYZOIEOC-OAHLLOKOSA-N 1 2 333.407 3.186 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000056315960 214369748 /nfs/dbraw/zinc/36/97/48/214369748.db2.gz YXKLPYUYZOIEOC-OAHLLOKOSA-N 1 2 333.407 3.186 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCc2ccsc2C1 ZINC000132568388 223343496 /nfs/dbraw/zinc/34/34/96/223343496.db2.gz IDUITPYHSTXDBX-UHFFFAOYSA-N 1 2 331.828 3.270 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCc2ccsc2C1 ZINC000132568388 223343498 /nfs/dbraw/zinc/34/34/98/223343498.db2.gz IDUITPYHSTXDBX-UHFFFAOYSA-N 1 2 331.828 3.270 20 30 EGEDLO N#Cc1cccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000079102966 217194315 /nfs/dbraw/zinc/19/43/15/217194315.db2.gz WGFZHSONBBHRMZ-UHFFFAOYSA-N 1 2 335.411 3.265 20 30 EGEDLO C=CCNC(=O)c1ccc(NCCCn2c(C)[nH+]c3ccccc32)nc1 ZINC000264909863 247034625 /nfs/dbraw/zinc/03/46/25/247034625.db2.gz TVUHEQLYTLZGBC-UHFFFAOYSA-N 1 2 349.438 3.158 20 30 EGEDLO C[C@@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1c(F)cccc1F ZINC000265240749 247329450 /nfs/dbraw/zinc/32/94/50/247329450.db2.gz WJMZTQGIYORUEE-PXAZEXFGSA-N 1 2 341.361 3.293 20 30 EGEDLO COc1ccc(C[NH2+]C2(c3noc(C)n3)CCCCC2)cc1C#N ZINC000266227206 248188165 /nfs/dbraw/zinc/18/81/65/248188165.db2.gz SPMSKIPFEFCRLY-UHFFFAOYSA-N 1 2 326.400 3.208 20 30 EGEDLO N#Cc1cccc(Cl)c1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000266376867 248271910 /nfs/dbraw/zinc/27/19/10/248271910.db2.gz MJTNAEOZFKPBJS-UHFFFAOYSA-N 1 2 332.860 3.380 20 30 EGEDLO N#Cc1cccc(Cl)c1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000266376867 248271912 /nfs/dbraw/zinc/27/19/12/248271912.db2.gz MJTNAEOZFKPBJS-UHFFFAOYSA-N 1 2 332.860 3.380 20 30 EGEDLO CC(=O)Nc1nc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cs1 ZINC000378354568 169107294 /nfs/dbraw/zinc/10/72/94/169107294.db2.gz KDKIXDAEYMHWBF-UHFFFAOYSA-N 1 2 338.436 3.262 20 30 EGEDLO CC(=O)Nc1nc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cs1 ZINC000378354568 169107295 /nfs/dbraw/zinc/10/72/95/169107295.db2.gz KDKIXDAEYMHWBF-UHFFFAOYSA-N 1 2 338.436 3.262 20 30 EGEDLO C=CCCO[C@H](C)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000267623670 251201298 /nfs/dbraw/zinc/20/12/98/251201298.db2.gz DVWCRUOVVVJBNU-QGZVFWFLSA-N 1 2 341.455 3.113 20 30 EGEDLO CC[N@H+](Cc1ccc(OC)cc1)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000154174246 285102909 /nfs/dbraw/zinc/10/29/09/285102909.db2.gz QNGSZUDNIVIPMA-IBGZPJMESA-N 1 2 338.407 3.303 20 30 EGEDLO CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000154174246 285102912 /nfs/dbraw/zinc/10/29/12/285102912.db2.gz QNGSZUDNIVIPMA-IBGZPJMESA-N 1 2 338.407 3.303 20 30 EGEDLO CSCC[C@@H]([NH2+]Cc1ccccc1C#N)c1nnc2ccccn21 ZINC000159650553 533611408 /nfs/dbraw/zinc/61/14/08/533611408.db2.gz KVJMIGOAHWACQT-MRXNPFEDSA-N 1 2 337.452 3.185 20 30 EGEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(C#N)cc1 ZINC000338362594 141107115 /nfs/dbraw/zinc/10/71/15/141107115.db2.gz QTUVTKHOEVLSHV-GFCCVEGCSA-N 1 2 349.350 3.367 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccco3)CC2)c(Br)c1 ZINC000341260932 141145884 /nfs/dbraw/zinc/14/58/84/141145884.db2.gz GZSHWEVONFSUBQ-UHFFFAOYSA-N 1 2 346.228 3.236 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)cc1Br)[C@H](CO)c1ccccc1 ZINC000350813399 141268092 /nfs/dbraw/zinc/26/80/92/141268092.db2.gz PWSOINQHAOXOBY-QGZVFWFLSA-N 1 2 345.240 3.486 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)cc1Br)[C@H](CO)c1ccccc1 ZINC000350813399 141268095 /nfs/dbraw/zinc/26/80/95/141268095.db2.gz PWSOINQHAOXOBY-QGZVFWFLSA-N 1 2 345.240 3.486 20 30 EGEDLO COc1cccc([C@@H](C)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000171707244 144009823 /nfs/dbraw/zinc/00/98/23/144009823.db2.gz LHRKKXXGQNAGEI-QGZVFWFLSA-N 1 2 335.451 3.446 20 30 EGEDLO N#Cc1cccc(CNc2ccc([NH+]3CCCCC3)cc2C(N)=O)c1 ZINC000178237386 144067343 /nfs/dbraw/zinc/06/73/43/144067343.db2.gz GBQSAQXLOVOAKR-UHFFFAOYSA-N 1 2 334.423 3.260 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186598083 144138543 /nfs/dbraw/zinc/13/85/43/144138543.db2.gz GLYOXEVFVIXDGF-YCRPNKLZSA-N 1 2 347.418 3.017 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186598083 144138545 /nfs/dbraw/zinc/13/85/45/144138545.db2.gz GLYOXEVFVIXDGF-YCRPNKLZSA-N 1 2 347.418 3.017 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)ccc1F ZINC000363930539 144377495 /nfs/dbraw/zinc/37/74/95/144377495.db2.gz FUWURKGYNBVJAG-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)ccc1F ZINC000363930539 144377497 /nfs/dbraw/zinc/37/74/97/144377497.db2.gz FUWURKGYNBVJAG-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO CC[N@H+](CCCNc1cc(N)c([N+](=O)[O-])c(C#N)c1)c1ccccc1 ZINC000341374995 155254326 /nfs/dbraw/zinc/25/43/26/155254326.db2.gz MTIJELOQPGRPBN-UHFFFAOYSA-N 1 2 339.399 3.377 20 30 EGEDLO CC[N@@H+](CCCNc1cc(N)c([N+](=O)[O-])c(C#N)c1)c1ccccc1 ZINC000341374995 155254331 /nfs/dbraw/zinc/25/43/31/155254331.db2.gz MTIJELOQPGRPBN-UHFFFAOYSA-N 1 2 339.399 3.377 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)c3cccs3)CC2)ccc1F ZINC000120825944 152302387 /nfs/dbraw/zinc/30/23/87/152302387.db2.gz GGCPOWIMBDLVHT-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)c3cccs3)CC2)ccc1F ZINC000120825944 152302389 /nfs/dbraw/zinc/30/23/89/152302389.db2.gz GGCPOWIMBDLVHT-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1ccc(C#N)c(F)c1 ZINC000192099120 153240347 /nfs/dbraw/zinc/24/03/47/153240347.db2.gz PYJVLDBAGIKTND-UHFFFAOYSA-N 1 2 333.313 3.046 20 30 EGEDLO C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1ccc(C#N)c(F)c1 ZINC000192099120 153240348 /nfs/dbraw/zinc/24/03/48/153240348.db2.gz PYJVLDBAGIKTND-UHFFFAOYSA-N 1 2 333.313 3.046 20 30 EGEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ccc(C(F)(F)F)c(C#N)n1 ZINC000336942394 154244015 /nfs/dbraw/zinc/24/40/15/154244015.db2.gz ZHXCMLLLESZTRY-UHFFFAOYSA-N 1 2 335.333 3.141 20 30 EGEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000125932055 162290700 /nfs/dbraw/zinc/29/07/00/162290700.db2.gz ZBCJHFYFOKOZAA-OAHLLOKOSA-N 1 2 337.398 3.103 20 30 EGEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000125932055 162290708 /nfs/dbraw/zinc/29/07/08/162290708.db2.gz ZBCJHFYFOKOZAA-OAHLLOKOSA-N 1 2 337.398 3.103 20 30 EGEDLO CN(C)c1ccccc1C[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000344062387 164093919 /nfs/dbraw/zinc/09/39/19/164093919.db2.gz BLLPAMOMIVNFSG-UHFFFAOYSA-N 1 2 347.422 3.306 20 30 EGEDLO CN(C)c1ccccc1C[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000344062387 164093922 /nfs/dbraw/zinc/09/39/22/164093922.db2.gz BLLPAMOMIVNFSG-UHFFFAOYSA-N 1 2 347.422 3.306 20 30 EGEDLO C[C@H](c1nc(C(C)(C)C)no1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344117866 164107747 /nfs/dbraw/zinc/10/77/47/164107747.db2.gz QHMYPEALQRFWGA-CQSZACIVSA-N 1 2 342.443 3.448 20 30 EGEDLO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344117866 164107750 /nfs/dbraw/zinc/10/77/50/164107750.db2.gz QHMYPEALQRFWGA-CQSZACIVSA-N 1 2 342.443 3.448 20 30 EGEDLO N#Cc1ccc(C[NH2+][C@H](C(=O)N2CCCCC2)c2ccccc2)s1 ZINC000344212730 164127987 /nfs/dbraw/zinc/12/79/87/164127987.db2.gz MTHSBZNTILGXCX-SFHVURJKSA-N 1 2 339.464 3.463 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+](C)CCc2ccccc2O)c(C#N)c1C ZINC000344213899 164128170 /nfs/dbraw/zinc/12/81/70/164128170.db2.gz OLEIXRZHMJSFLW-UHFFFAOYSA-N 1 2 343.452 3.055 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+](C)CCc2ccccc2O)c(C#N)c1C ZINC000344213899 164128171 /nfs/dbraw/zinc/12/81/71/164128171.db2.gz OLEIXRZHMJSFLW-UHFFFAOYSA-N 1 2 343.452 3.055 20 30 EGEDLO N#Cc1ccccc1C[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F ZINC000355577836 166248561 /nfs/dbraw/zinc/24/85/61/166248561.db2.gz BVVNTYPBLINLCC-HNNXBMFYSA-N 1 2 336.313 3.280 20 30 EGEDLO CC1(C)CC[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000359035050 167045422 /nfs/dbraw/zinc/04/54/22/167045422.db2.gz AQTJNPPVRLYTDD-GOSISDBHSA-N 1 2 325.456 3.029 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1)c1cccc(C#N)c1 ZINC000360443737 167329969 /nfs/dbraw/zinc/32/99/69/167329969.db2.gz GDQFJFWEWDARLR-GFCCVEGCSA-N 1 2 333.395 3.243 20 30 EGEDLO COc1ccc(-c2noc(C[NH2+][C@H](C)c3ccc(C#N)cc3)n2)cc1 ZINC000367683994 168259079 /nfs/dbraw/zinc/25/90/79/168259079.db2.gz MBHUEWUYBHAJJT-CYBMUJFWSA-N 1 2 334.379 3.468 20 30 EGEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(n2cccn2)CC1 ZINC000367870794 168278582 /nfs/dbraw/zinc/27/85/82/168278582.db2.gz XYNKCRBKFBYHIK-UHFFFAOYSA-N 1 2 345.244 3.354 20 30 EGEDLO Cc1cc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)c(C#N)c[nH+]1 ZINC000425241698 269914174 /nfs/dbraw/zinc/91/41/74/269914174.db2.gz AUOMVRJLYCPFJH-UHFFFAOYSA-N 1 2 335.333 3.319 20 30 EGEDLO N#Cc1c(Cl)cccc1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000296880738 270042664 /nfs/dbraw/zinc/04/26/64/270042664.db2.gz NNTXAPPQQGAZCN-UHFFFAOYSA-N 1 2 328.803 3.055 20 30 EGEDLO Cc1cc(N2CCC(C(=O)Nc3cccc(F)c3)CC2)c(C#N)c[nH+]1 ZINC000425225862 270049300 /nfs/dbraw/zinc/04/93/00/270049300.db2.gz PQDFDWBVBODKDM-UHFFFAOYSA-N 1 2 338.386 3.256 20 30 EGEDLO CC[N@H+](Cc1ccc(S(C)(=O)=O)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000411195910 266135170 /nfs/dbraw/zinc/13/51/70/266135170.db2.gz WJKXYZJNTALDIF-CYBMUJFWSA-N 1 2 332.425 3.138 20 30 EGEDLO CC[N@@H+](Cc1ccc(S(C)(=O)=O)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000411195910 266135175 /nfs/dbraw/zinc/13/51/75/266135175.db2.gz WJKXYZJNTALDIF-CYBMUJFWSA-N 1 2 332.425 3.138 20 30 EGEDLO CC(=O)N(c1nc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cs1)C1CC1 ZINC000265166605 266269483 /nfs/dbraw/zinc/26/94/83/266269483.db2.gz HRCALBZWDHUPDZ-LBPRGKRZSA-N 1 2 340.452 3.381 20 30 EGEDLO CC[C@@H](C)C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000334053397 266356776 /nfs/dbraw/zinc/35/67/76/266356776.db2.gz KSUARBXHLABZNV-IAGOWNOFSA-N 1 2 342.487 3.210 20 30 EGEDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@H+]1Cc1cc(C#N)ccc1F ZINC000292418447 267036736 /nfs/dbraw/zinc/03/67/36/267036736.db2.gz VCEIALLJCICQQQ-OKILXGFUSA-N 1 2 331.435 3.165 20 30 EGEDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@@H+]1Cc1cc(C#N)ccc1F ZINC000292418447 267036738 /nfs/dbraw/zinc/03/67/38/267036738.db2.gz VCEIALLJCICQQQ-OKILXGFUSA-N 1 2 331.435 3.165 20 30 EGEDLO CCN(CC)c1ccc(CNc2cccc(C#N)c2[N+](=O)[O-])c[nH+]1 ZINC000450257492 267062882 /nfs/dbraw/zinc/06/28/82/267062882.db2.gz VWUMLAXWUQVKTA-UHFFFAOYSA-N 1 2 325.372 3.320 20 30 EGEDLO CCN(CC)c1ccc(CNC(=O)Nc2cc(C)cc(C#N)c2)c[nH+]1 ZINC000456013749 267062931 /nfs/dbraw/zinc/06/29/31/267062931.db2.gz XFQNLRYTUXUFED-UHFFFAOYSA-N 1 2 337.427 3.430 20 30 EGEDLO CC[N@H+](Cc1cc(C#N)ccc1OC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000437669621 267069872 /nfs/dbraw/zinc/06/98/72/267069872.db2.gz SMNBNKNGEBNXOH-LJQANCHMSA-N 1 2 349.434 3.194 20 30 EGEDLO CC[N@@H+](Cc1cc(C#N)ccc1OC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000437669621 267069874 /nfs/dbraw/zinc/06/98/74/267069874.db2.gz SMNBNKNGEBNXOH-LJQANCHMSA-N 1 2 349.434 3.194 20 30 EGEDLO CCOC(=O)C[N@H+](Cc1cn2ccccc2c1C#N)C1CCCC1 ZINC000434976950 267118821 /nfs/dbraw/zinc/11/88/21/267118821.db2.gz FKURSOVWCVNAAH-UHFFFAOYSA-N 1 2 325.412 3.119 20 30 EGEDLO CCOC(=O)C[N@@H+](Cc1cn2ccccc2c1C#N)C1CCCC1 ZINC000434976950 267118827 /nfs/dbraw/zinc/11/88/27/267118827.db2.gz FKURSOVWCVNAAH-UHFFFAOYSA-N 1 2 325.412 3.119 20 30 EGEDLO CC[C@@H]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000474188569 267200186 /nfs/dbraw/zinc/20/01/86/267200186.db2.gz JKSORHAVTKUXRX-UXHICEINSA-N 1 2 339.483 3.419 20 30 EGEDLO CC[C@H]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000474188570 267226084 /nfs/dbraw/zinc/22/60/84/267226084.db2.gz JKSORHAVTKUXRX-VQTJNVASSA-N 1 2 339.483 3.419 20 30 EGEDLO CNc1ccc(C#N)cc1NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000493272685 267353121 /nfs/dbraw/zinc/35/31/21/267353121.db2.gz VPPIMCJUPPKUJI-UITAMQMPSA-N 1 2 343.390 3.438 20 30 EGEDLO N#Cc1cc2c(nc1NCc1ccc(-n3cc[nH+]c3)nc1)CCCC2 ZINC000301103275 268025914 /nfs/dbraw/zinc/02/59/14/268025914.db2.gz ZPJNSKTVJYOUKK-UHFFFAOYSA-N 1 2 330.395 3.025 20 30 EGEDLO Cc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c(Cl)c1 ZINC000447294700 268037136 /nfs/dbraw/zinc/03/71/36/268037136.db2.gz HLZIZNQTHRODLN-CQSZACIVSA-N 1 2 341.846 3.021 20 30 EGEDLO Cc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c(Cl)c1 ZINC000447294700 268037139 /nfs/dbraw/zinc/03/71/39/268037139.db2.gz HLZIZNQTHRODLN-CQSZACIVSA-N 1 2 341.846 3.021 20 30 EGEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)cc1 ZINC000349530899 268086800 /nfs/dbraw/zinc/08/68/00/268086800.db2.gz WRFORRSZVKHNOS-KRWDZBQOSA-N 1 2 341.374 3.269 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000298738333 268100653 /nfs/dbraw/zinc/10/06/53/268100653.db2.gz ABROECNTRNKQOK-MRXNPFEDSA-N 1 2 328.803 3.315 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000298738333 268100655 /nfs/dbraw/zinc/10/06/55/268100655.db2.gz ABROECNTRNKQOK-MRXNPFEDSA-N 1 2 328.803 3.315 20 30 EGEDLO N#Cc1ccc(N2CCC([NH2+]c3ccc(-n4ccnn4)cc3)CC2)cc1 ZINC000289065143 268108239 /nfs/dbraw/zinc/10/82/39/268108239.db2.gz CDATWMFWLIJKAL-UHFFFAOYSA-N 1 2 344.422 3.220 20 30 EGEDLO N#Cc1ccc(N2CCC([NH2+]c3ccc(OC4COC4)cc3)CC2)cc1 ZINC000287750413 268108418 /nfs/dbraw/zinc/10/84/18/268108418.db2.gz ZHYUTWLMIFCOII-UHFFFAOYSA-N 1 2 349.434 3.417 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(F)c(F)cc3F)C2)nc1 ZINC000292707441 268183655 /nfs/dbraw/zinc/18/36/55/268183655.db2.gz CZCCSVYTQKZDIR-CYBMUJFWSA-N 1 2 333.313 3.024 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(F)c(F)cc3F)C2)nc1 ZINC000292707441 268183658 /nfs/dbraw/zinc/18/36/58/268183658.db2.gz CZCCSVYTQKZDIR-CYBMUJFWSA-N 1 2 333.313 3.024 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3scnc3C3CC3)CC2)c(F)c1 ZINC000494942615 268234589 /nfs/dbraw/zinc/23/45/89/268234589.db2.gz RDHJHCNZRSBHFX-UHFFFAOYSA-N 1 2 342.443 3.353 20 30 EGEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000420957791 268279120 /nfs/dbraw/zinc/27/91/20/268279120.db2.gz ZXMWGXYJCSXJPE-ZDUSSCGKSA-N 1 2 325.334 3.161 20 30 EGEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000420957791 268279125 /nfs/dbraw/zinc/27/91/25/268279125.db2.gz ZXMWGXYJCSXJPE-ZDUSSCGKSA-N 1 2 325.334 3.161 20 30 EGEDLO COc1c(C)c[nH+]c(CN(C)c2ccc(C#N)c([N+](=O)[O-])c2)c1C ZINC000290704095 276530858 /nfs/dbraw/zinc/53/08/58/276530858.db2.gz WIZZVGIIHRFFMK-UHFFFAOYSA-N 1 2 326.356 3.123 20 30 EGEDLO C[C@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(C#N)cc1 ZINC000268437408 279434106 /nfs/dbraw/zinc/43/41/06/279434106.db2.gz XYANNARLUQWACU-RLFYNMQTSA-N 1 2 337.427 3.108 20 30 EGEDLO CCCNC(=O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000052798033 307333845 /nfs/dbraw/zinc/33/38/45/307333845.db2.gz AQCAVLDWYXOZQP-UHFFFAOYSA-N 1 2 339.414 3.226 20 30 EGEDLO CCCNC(=O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000052798033 307333846 /nfs/dbraw/zinc/33/38/46/307333846.db2.gz AQCAVLDWYXOZQP-UHFFFAOYSA-N 1 2 339.414 3.226 20 30 EGEDLO CCOc1ccc(C#N)cc1NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000056478733 307343731 /nfs/dbraw/zinc/34/37/31/307343731.db2.gz CQAKMHQAZLLRJY-UHFFFAOYSA-N 1 2 334.379 3.254 20 30 EGEDLO CC(C)[N@H+](Cc1cccc(C#N)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000061172804 307352533 /nfs/dbraw/zinc/35/25/33/307352533.db2.gz PTXZDYIPAWPWJF-UHFFFAOYSA-N 1 2 332.407 3.205 20 30 EGEDLO CC(C)[N@@H+](Cc1cccc(C#N)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000061172804 307352535 /nfs/dbraw/zinc/35/25/35/307352535.db2.gz PTXZDYIPAWPWJF-UHFFFAOYSA-N 1 2 332.407 3.205 20 30 EGEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000057595630 454136619 /nfs/dbraw/zinc/13/66/19/454136619.db2.gz VFCLBANZLTZCSG-LLVKDONJSA-N 1 2 328.243 3.186 20 30 EGEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000057595630 454136622 /nfs/dbraw/zinc/13/66/22/454136622.db2.gz VFCLBANZLTZCSG-LLVKDONJSA-N 1 2 328.243 3.186 20 30 EGEDLO COc1cc(C#N)ccc1NC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000545295494 314753157 /nfs/dbraw/zinc/75/31/57/314753157.db2.gz IHGYPYGTLQCXQS-UHFFFAOYSA-N 1 2 349.394 3.047 20 30 EGEDLO CC(C)Oc1ccc(NC(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)cc1C#N ZINC000556577793 315443224 /nfs/dbraw/zinc/44/32/24/315443224.db2.gz PMFWHNWJYUOICN-WFASDCNBSA-N 1 2 339.399 3.369 20 30 EGEDLO C[C@@H]1CCN(c2cc(C(F)(F)F)cnc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000564544642 316165639 /nfs/dbraw/zinc/16/56/39/316165639.db2.gz SNTHXIQHAZZVDW-IAQYHMDHSA-N 1 2 335.333 3.256 20 30 EGEDLO C=CCCC[C@H](C)NC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000343798767 456773988 /nfs/dbraw/zinc/77/39/88/456773988.db2.gz WIFPUGWYRXZQKB-LBPRGKRZSA-N 1 2 332.370 3.332 20 30 EGEDLO N#CCC[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])CC1CC1 ZINC000425426595 457550348 /nfs/dbraw/zinc/55/03/48/457550348.db2.gz SJQRCQBAKZNSPE-UHFFFAOYSA-N 1 2 338.205 3.483 20 30 EGEDLO N#CCC[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])CC1CC1 ZINC000425426595 457550354 /nfs/dbraw/zinc/55/03/54/457550354.db2.gz SJQRCQBAKZNSPE-UHFFFAOYSA-N 1 2 338.205 3.483 20 30 EGEDLO C=CCn1cc(C[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)nn1 ZINC000424167112 458575383 /nfs/dbraw/zinc/57/53/83/458575383.db2.gz BVIYJSWFEBOWOK-UHFFFAOYSA-N 1 2 330.741 3.426 20 30 EGEDLO C=CCOC[C@@H]([NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)C(=O)OC ZINC000482441195 459308263 /nfs/dbraw/zinc/30/82/63/459308263.db2.gz SEGSRFFNYWSHBN-YVECIDJPSA-N 1 2 343.876 3.227 20 30 EGEDLO O=C(Nc1cccc(C#Cc2ccccc2)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000158265606 455285621 /nfs/dbraw/zinc/28/56/21/455285621.db2.gz RRUIEFOTPMPHFU-LJQANCHMSA-N 1 2 341.414 3.484 20 30 EGEDLO CC(C)(C)C1CCC(C#N)(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000183903754 455337750 /nfs/dbraw/zinc/33/77/50/455337750.db2.gz QKLVSPGDKDLZAP-XVTSOASTSA-N 1 2 328.460 3.060 20 30 EGEDLO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1F ZINC000007910704 453131823 /nfs/dbraw/zinc/13/18/23/453131823.db2.gz BRLDSDJLACSXAK-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1F ZINC000007910704 453131834 /nfs/dbraw/zinc/13/18/34/453131834.db2.gz BRLDSDJLACSXAK-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO C[N@H+](CCOc1ccc(Cl)cc1)CC(=O)Nc1sccc1C#N ZINC000008120813 453164572 /nfs/dbraw/zinc/16/45/72/453164572.db2.gz BAMGSIFSGWZDMC-UHFFFAOYSA-N 1 2 349.843 3.222 20 30 EGEDLO C[N@@H+](CCOc1ccc(Cl)cc1)CC(=O)Nc1sccc1C#N ZINC000008120813 453164583 /nfs/dbraw/zinc/16/45/83/453164583.db2.gz BAMGSIFSGWZDMC-UHFFFAOYSA-N 1 2 349.843 3.222 20 30 EGEDLO COC(=O)C1CCN(c2ccc(-c3cccc(F)c3C#N)c[nH+]2)CC1 ZINC000600788892 460605004 /nfs/dbraw/zinc/60/50/04/460605004.db2.gz BAWLCHXGEOLERX-UHFFFAOYSA-N 1 2 339.370 3.149 20 30 EGEDLO COc1ccc(-c2noc(C[N@H+](C)Cc3cccc(C#N)c3)n2)cc1 ZINC000026326186 453796497 /nfs/dbraw/zinc/79/64/97/453796497.db2.gz OCRPQFCQHLFRMP-UHFFFAOYSA-N 1 2 334.379 3.249 20 30 EGEDLO COc1ccc(-c2noc(C[N@@H+](C)Cc3cccc(C#N)c3)n2)cc1 ZINC000026326186 453796498 /nfs/dbraw/zinc/79/64/98/453796498.db2.gz OCRPQFCQHLFRMP-UHFFFAOYSA-N 1 2 334.379 3.249 20 30 EGEDLO C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000026328939 453797002 /nfs/dbraw/zinc/79/70/02/453797002.db2.gz IVHMFTANMRIGRV-MRXNPFEDSA-N 1 2 333.435 3.358 20 30 EGEDLO C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026328939 453797004 /nfs/dbraw/zinc/79/70/04/453797004.db2.gz IVHMFTANMRIGRV-MRXNPFEDSA-N 1 2 333.435 3.358 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)c1 ZINC000029842166 453831984 /nfs/dbraw/zinc/83/19/84/453831984.db2.gz PHBBXLYOARLLQV-UHFFFAOYSA-N 1 2 337.398 3.045 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)c1 ZINC000029842166 453831985 /nfs/dbraw/zinc/83/19/85/453831985.db2.gz PHBBXLYOARLLQV-UHFFFAOYSA-N 1 2 337.398 3.045 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCOC(C)(C)C2)c1 ZINC000030196919 453834306 /nfs/dbraw/zinc/83/43/06/453834306.db2.gz OPDAFWINSCKKIJ-QGZVFWFLSA-N 1 2 343.471 3.049 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCOC(C)(C)C2)c1 ZINC000030196919 453834307 /nfs/dbraw/zinc/83/43/07/453834307.db2.gz OPDAFWINSCKKIJ-QGZVFWFLSA-N 1 2 343.471 3.049 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)NCCCn1cc[nH+]c1 ZINC000066955474 453890102 /nfs/dbraw/zinc/89/01/02/453890102.db2.gz FGLSHKNGIFCZBB-CQSZACIVSA-N 1 2 343.456 3.489 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)NCCn1cc[nH+]c1 ZINC000066955520 453890166 /nfs/dbraw/zinc/89/01/66/453890166.db2.gz PHKGDZWVJWSLSN-CYBMUJFWSA-N 1 2 329.429 3.099 20 30 EGEDLO Cc1nc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)sc1C ZINC000081647360 453900817 /nfs/dbraw/zinc/90/08/17/453900817.db2.gz CZTZWHRXUKKDED-UHFFFAOYSA-N 1 2 340.496 3.340 20 30 EGEDLO Cc1nc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)sc1C ZINC000081647360 453900819 /nfs/dbraw/zinc/90/08/19/453900819.db2.gz CZTZWHRXUKKDED-UHFFFAOYSA-N 1 2 340.496 3.340 20 30 EGEDLO C[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)[N@@H+]1CCc2sccc2C1 ZINC000075533034 453901480 /nfs/dbraw/zinc/90/14/80/453901480.db2.gz ASXACPLOIGGVGU-SGEFVQMOSA-N 1 2 345.424 3.228 20 30 EGEDLO C[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)[N@H+]1CCc2sccc2C1 ZINC000075533034 453901481 /nfs/dbraw/zinc/90/14/81/453901481.db2.gz ASXACPLOIGGVGU-SGEFVQMOSA-N 1 2 345.424 3.228 20 30 EGEDLO N#CCCCC[S@@](=O)Cc1cn2cc(Br)ccc2[nH+]1 ZINC000083954524 453962105 /nfs/dbraw/zinc/96/21/05/453962105.db2.gz AQLIDWRPKGAWFO-IBGZPJMESA-N 1 2 340.246 3.039 20 30 EGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000084135713 453971930 /nfs/dbraw/zinc/97/19/30/453971930.db2.gz YDMUOBOZVCXPRV-UHFFFAOYSA-N 1 2 344.361 3.282 20 30 EGEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000084135713 453971934 /nfs/dbraw/zinc/97/19/34/453971934.db2.gz YDMUOBOZVCXPRV-UHFFFAOYSA-N 1 2 344.361 3.282 20 30 EGEDLO CC(C)(C#N)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000055338397 453977151 /nfs/dbraw/zinc/97/71/51/453977151.db2.gz FHWRVOIBSHVJSJ-AWEZNQCLSA-N 1 2 337.826 3.282 20 30 EGEDLO Cc1ccc(C)c(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000076195893 453978157 /nfs/dbraw/zinc/97/81/57/453978157.db2.gz KJTGRIVGPIOVRM-UHFFFAOYSA-N 1 2 347.462 3.062 20 30 EGEDLO C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(C#N)cc1 ZINC000042323975 454006563 /nfs/dbraw/zinc/00/65/63/454006563.db2.gz UCUFKIMMGSNIOP-HNNXBMFYSA-N 1 2 349.438 3.114 20 30 EGEDLO N#CCNC(=O)C[N@@H+]1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000088602192 454114736 /nfs/dbraw/zinc/11/47/36/454114736.db2.gz SAGNLNNPMSLWSR-SFHVURJKSA-N 1 2 339.826 3.079 20 30 EGEDLO N#CCNC(=O)C[N@H+]1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000088602192 454114738 /nfs/dbraw/zinc/11/47/38/454114738.db2.gz SAGNLNNPMSLWSR-SFHVURJKSA-N 1 2 339.826 3.079 20 30 EGEDLO N#CCCCSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000057530229 454134581 /nfs/dbraw/zinc/13/45/81/454134581.db2.gz WFXYXDBYCRYCHR-UHFFFAOYSA-N 1 2 341.484 3.318 20 30 EGEDLO CC(C)Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(C#N)CC2)cc1 ZINC000057880098 454154192 /nfs/dbraw/zinc/15/41/92/454154192.db2.gz PLHMVZBFUDPDKB-MRXNPFEDSA-N 1 2 327.472 3.298 20 30 EGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Nc1ccc(CC#N)cc1)C2 ZINC000095467037 454218880 /nfs/dbraw/zinc/21/88/80/454218880.db2.gz VYRUKIVFVWEZQK-UHFFFAOYSA-N 1 2 337.427 3.200 20 30 EGEDLO C#CCCCCC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000120226590 454274809 /nfs/dbraw/zinc/27/48/09/454274809.db2.gz KKTHYFOJSKBCNF-UHFFFAOYSA-N 1 2 327.472 3.340 20 30 EGEDLO N#Cc1cc(F)ccc1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000132911538 454377635 /nfs/dbraw/zinc/37/76/35/454377635.db2.gz PEVPBMYFHJRJHW-UHFFFAOYSA-N 1 2 344.415 3.109 20 30 EGEDLO C=CC[N@@H+](C)CC(=O)Nc1scc(-c2ccco2)c1C(=O)OCC ZINC000121138553 454397839 /nfs/dbraw/zinc/39/78/39/454397839.db2.gz VWQOQMGMASSUIY-UHFFFAOYSA-N 1 2 348.424 3.241 20 30 EGEDLO C=CC[N@H+](C)CC(=O)Nc1scc(-c2ccco2)c1C(=O)OCC ZINC000121138553 454397843 /nfs/dbraw/zinc/39/78/43/454397843.db2.gz VWQOQMGMASSUIY-UHFFFAOYSA-N 1 2 348.424 3.241 20 30 EGEDLO N#Cc1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)ccc1F ZINC000121316613 454420084 /nfs/dbraw/zinc/42/00/84/454420084.db2.gz VQXZBXQTGUCQQH-HXUWFJFHSA-N 1 2 334.398 3.080 20 30 EGEDLO C=CCNC(=O)c1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)nc1 ZINC000073374362 454429926 /nfs/dbraw/zinc/42/99/26/454429926.db2.gz RWTXAIIYDXKPCM-UHFFFAOYSA-N 1 2 337.427 3.126 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)s1 ZINC000121806671 454480341 /nfs/dbraw/zinc/48/03/41/454480341.db2.gz MGRVWQLDUKLMMJ-UHFFFAOYSA-N 1 2 338.436 3.100 20 30 EGEDLO C[N@H+](CC(C)(C)CCC#N)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000092069544 454514308 /nfs/dbraw/zinc/51/43/08/454514308.db2.gz HOINHQOPWMHYKC-CQSZACIVSA-N 1 2 340.876 3.430 20 30 EGEDLO C[N@@H+](CC(C)(C)CCC#N)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000092069544 454514314 /nfs/dbraw/zinc/51/43/14/454514314.db2.gz HOINHQOPWMHYKC-CQSZACIVSA-N 1 2 340.876 3.430 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(-c2ccc(C)cc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361562 454556308 /nfs/dbraw/zinc/55/63/08/454556308.db2.gz UUXLXXUDMRSZEK-QGZVFWFLSA-N 1 2 345.464 3.430 20 30 EGEDLO C=CC[N@H+](Cc1ccc(-c2ccc(C)cc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361562 454556312 /nfs/dbraw/zinc/55/63/12/454556312.db2.gz UUXLXXUDMRSZEK-QGZVFWFLSA-N 1 2 345.464 3.430 20 30 EGEDLO COc1cc(C[N@H+](C)Cc2cc(C#N)ccc2F)cc(OC)c1OC ZINC000122797030 454569469 /nfs/dbraw/zinc/56/94/69/454569469.db2.gz SLOJKBGREAZCOO-UHFFFAOYSA-N 1 2 344.386 3.355 20 30 EGEDLO COc1cc(C[N@@H+](C)Cc2cc(C#N)ccc2F)cc(OC)c1OC ZINC000122797030 454569475 /nfs/dbraw/zinc/56/94/75/454569475.db2.gz SLOJKBGREAZCOO-UHFFFAOYSA-N 1 2 344.386 3.355 20 30 EGEDLO COc1ccccc1C[N@H+](CC(=O)NC1(C#N)CCCCC1)C1CC1 ZINC000052165774 454657738 /nfs/dbraw/zinc/65/77/38/454657738.db2.gz CWPRNBVFPVFSDO-UHFFFAOYSA-N 1 2 341.455 3.002 20 30 EGEDLO COc1ccccc1C[N@@H+](CC(=O)NC1(C#N)CCCCC1)C1CC1 ZINC000052165774 454657743 /nfs/dbraw/zinc/65/77/43/454657743.db2.gz CWPRNBVFPVFSDO-UHFFFAOYSA-N 1 2 341.455 3.002 20 30 EGEDLO C[C@@H](NC(=O)C[N@H+](CCC#N)CC1CC1)c1ccc2c(c1)CCCC2 ZINC000081045040 454676634 /nfs/dbraw/zinc/67/66/34/454676634.db2.gz AWHQGIZQZUYUGW-MRXNPFEDSA-N 1 2 339.483 3.368 20 30 EGEDLO C[C@@H](NC(=O)C[N@@H+](CCC#N)CC1CC1)c1ccc2c(c1)CCCC2 ZINC000081045040 454676639 /nfs/dbraw/zinc/67/66/39/454676639.db2.gz AWHQGIZQZUYUGW-MRXNPFEDSA-N 1 2 339.483 3.368 20 30 EGEDLO C=CCN(C)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000161558191 454702920 /nfs/dbraw/zinc/70/29/20/454702920.db2.gz QYMWYFOBJCAPSO-HNNXBMFYSA-N 1 2 337.261 3.230 20 30 EGEDLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2ccc(C#N)cc2)s1 ZINC000106875684 454725834 /nfs/dbraw/zinc/72/58/34/454725834.db2.gz PKZALHQHRKHRKZ-GFCCVEGCSA-N 1 2 328.441 3.263 20 30 EGEDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)s1 ZINC000106875684 454725839 /nfs/dbraw/zinc/72/58/39/454725839.db2.gz PKZALHQHRKHRKZ-GFCCVEGCSA-N 1 2 328.441 3.263 20 30 EGEDLO N#CC1CC[NH+](CC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000142056495 454833433 /nfs/dbraw/zinc/83/34/33/454833433.db2.gz WUEFIIOTEQVHDN-LJQANCHMSA-N 1 2 339.464 3.189 20 30 EGEDLO Cc1ccc(C#N)cc1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000169062381 454929579 /nfs/dbraw/zinc/92/95/79/454929579.db2.gz HRVRWLDEVIUEJB-MRXNPFEDSA-N 1 2 337.427 3.087 20 30 EGEDLO CC[C@H](C#N)Sc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000126999041 454931276 /nfs/dbraw/zinc/93/12/76/454931276.db2.gz XMQJKLGKAGXSRK-SMDDNHRTSA-N 1 2 333.436 3.423 20 30 EGEDLO CC[C@H](C#N)Sc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000126998579 454931364 /nfs/dbraw/zinc/93/13/64/454931364.db2.gz XMQJKLGKAGXSRK-BXUZGUMPSA-N 1 2 333.436 3.423 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+](C)[C@H](C)c2ccncc2)c(C#N)c1C ZINC000127519209 454973135 /nfs/dbraw/zinc/97/31/35/454973135.db2.gz UOVYKUGDVGODPS-GFCCVEGCSA-N 1 2 328.441 3.263 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+](C)[C@H](C)c2ccncc2)c(C#N)c1C ZINC000127519209 454973137 /nfs/dbraw/zinc/97/31/37/454973137.db2.gz UOVYKUGDVGODPS-GFCCVEGCSA-N 1 2 328.441 3.263 20 30 EGEDLO N#CCC[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC000178825916 454982037 /nfs/dbraw/zinc/98/20/37/454982037.db2.gz URTYBALOGAXREZ-QGZVFWFLSA-N 1 2 333.395 3.179 20 30 EGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179506681 455054323 /nfs/dbraw/zinc/05/43/23/455054323.db2.gz XFFZPQCDRBJSQH-CQSZACIVSA-N 1 2 325.391 3.072 20 30 EGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179506681 455054326 /nfs/dbraw/zinc/05/43/26/455054326.db2.gz XFFZPQCDRBJSQH-CQSZACIVSA-N 1 2 325.391 3.072 20 30 EGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179506681 455054331 /nfs/dbraw/zinc/05/43/31/455054331.db2.gz XFFZPQCDRBJSQH-CQSZACIVSA-N 1 2 325.391 3.072 20 30 EGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179506681 455054335 /nfs/dbraw/zinc/05/43/35/455054335.db2.gz XFFZPQCDRBJSQH-CQSZACIVSA-N 1 2 325.391 3.072 20 30 EGEDLO COC[C@@](C)(C#N)NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000156290496 455101781 /nfs/dbraw/zinc/10/17/81/455101781.db2.gz BVJJRKZMWUVBET-QGZVFWFLSA-N 1 2 345.786 3.186 20 30 EGEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000118861941 455114696 /nfs/dbraw/zinc/11/46/96/455114696.db2.gz DOOYVFYBKZOUPX-INIZCTEOSA-N 1 2 344.846 3.169 20 30 EGEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000118861941 455114700 /nfs/dbraw/zinc/11/47/00/455114700.db2.gz DOOYVFYBKZOUPX-INIZCTEOSA-N 1 2 344.846 3.169 20 30 EGEDLO O[C@@H](C1CC[NH+](CC#Cc2cccc(Cl)c2)CC1)C(F)(F)F ZINC000157191744 455172129 /nfs/dbraw/zinc/17/21/29/455172129.db2.gz ZRBOOLQZOKTJET-HNNXBMFYSA-N 1 2 331.765 3.327 20 30 EGEDLO CCN(CC)C(=O)c1cccc(NCc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000157645252 455216807 /nfs/dbraw/zinc/21/68/07/455216807.db2.gz JPODYZJPPYIUGE-UHFFFAOYSA-N 1 2 347.422 3.300 20 30 EGEDLO C=CCCC[C@H](C)NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000181427726 455333206 /nfs/dbraw/zinc/33/32/06/455333206.db2.gz LYAJEWRZQINCCU-HNNXBMFYSA-N 1 2 336.505 3.105 20 30 EGEDLO C=CCCC[C@H](C)NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000181427726 455333210 /nfs/dbraw/zinc/33/32/10/455333210.db2.gz LYAJEWRZQINCCU-HNNXBMFYSA-N 1 2 336.505 3.105 20 30 EGEDLO C=CCNC(=O)C[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000183941662 455342003 /nfs/dbraw/zinc/34/20/03/455342003.db2.gz HSTQONRGIYOMHO-INIZCTEOSA-N 1 2 349.228 3.023 20 30 EGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000190558837 455343575 /nfs/dbraw/zinc/34/35/75/455343575.db2.gz CVIVYQHVZWLPAE-INIZCTEOSA-N 1 2 343.471 3.211 20 30 EGEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1Cl ZINC000159562508 455384821 /nfs/dbraw/zinc/38/48/21/455384821.db2.gz CXVRNARBQLTPJW-UHFFFAOYSA-N 1 2 345.855 3.231 20 30 EGEDLO C[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CCCCC2)[C@H](c2ccco2)C1 ZINC000174507107 455398109 /nfs/dbraw/zinc/39/81/09/455398109.db2.gz UTOGUVLIPMOQGO-CVEARBPZSA-N 1 2 329.444 3.395 20 30 EGEDLO C[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)[C@H](c2ccco2)C1 ZINC000174507107 455398115 /nfs/dbraw/zinc/39/81/15/455398115.db2.gz UTOGUVLIPMOQGO-CVEARBPZSA-N 1 2 329.444 3.395 20 30 EGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1(C#N)CCCC1 ZINC000174899922 455417631 /nfs/dbraw/zinc/41/76/31/455417631.db2.gz RDEOAAVKVHZHSJ-UHFFFAOYSA-N 1 2 340.471 3.230 20 30 EGEDLO CCOCc1ccc(CNC(=O)C[N@H+](CCC#N)CCC(C)C)cc1 ZINC000266761836 455449495 /nfs/dbraw/zinc/44/94/95/455449495.db2.gz UDPWMEMPWKVJBG-UHFFFAOYSA-N 1 2 345.487 3.101 20 30 EGEDLO CCOCc1ccc(CNC(=O)C[N@@H+](CCC#N)CCC(C)C)cc1 ZINC000266761836 455449500 /nfs/dbraw/zinc/44/95/00/455449500.db2.gz UDPWMEMPWKVJBG-UHFFFAOYSA-N 1 2 345.487 3.101 20 30 EGEDLO Cn1cc([C@@H]2CSCC[N@@H+]2CC#Cc2ccc(Cl)cc2)cn1 ZINC000191199069 455462636 /nfs/dbraw/zinc/46/26/36/455462636.db2.gz IALZKGZYKIPDFY-KRWDZBQOSA-N 1 2 331.872 3.215 20 30 EGEDLO Cn1cc([C@@H]2CSCC[N@H+]2CC#Cc2ccc(Cl)cc2)cn1 ZINC000191199069 455462638 /nfs/dbraw/zinc/46/26/38/455462638.db2.gz IALZKGZYKIPDFY-KRWDZBQOSA-N 1 2 331.872 3.215 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@@H+](Cc3csc(C)n3)CC2)CCC1 ZINC000191319742 455476885 /nfs/dbraw/zinc/47/68/85/455476885.db2.gz YJNOAHPAZHOELL-UHFFFAOYSA-N 1 2 333.501 3.232 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@H+](Cc3csc(C)n3)CC2)CCC1 ZINC000191319742 455476886 /nfs/dbraw/zinc/47/68/86/455476886.db2.gz YJNOAHPAZHOELL-UHFFFAOYSA-N 1 2 333.501 3.232 20 30 EGEDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)s1 ZINC000185032554 455488841 /nfs/dbraw/zinc/48/88/41/455488841.db2.gz RBJRFNVTSRKAMM-SNVBAGLBSA-N 1 2 334.470 3.291 20 30 EGEDLO CCS[C@@H]1CCCC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246616672 455512552 /nfs/dbraw/zinc/51/25/52/455512552.db2.gz YNTVHZJICMCNPQ-IAGOWNOFSA-N 1 2 332.469 3.380 20 30 EGEDLO CCS[C@@H]1CCCC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246616672 455512555 /nfs/dbraw/zinc/51/25/55/455512555.db2.gz YNTVHZJICMCNPQ-IAGOWNOFSA-N 1 2 332.469 3.380 20 30 EGEDLO O=C(CCCc1ccccc1)N1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000191975550 455537498 /nfs/dbraw/zinc/53/74/98/455537498.db2.gz WDJBBCNGODEKHG-UHFFFAOYSA-N 1 2 346.474 3.205 20 30 EGEDLO NC(=O)c1ccc(C[N@H+](CC#Cc2ccc(F)cc2)C2CC2)c(F)c1 ZINC000292330575 455630359 /nfs/dbraw/zinc/63/03/59/455630359.db2.gz WHUGTAYDRCFDNY-UHFFFAOYSA-N 1 2 340.373 3.080 20 30 EGEDLO NC(=O)c1ccc(C[N@@H+](CC#Cc2ccc(F)cc2)C2CC2)c(F)c1 ZINC000292330575 455630368 /nfs/dbraw/zinc/63/03/68/455630368.db2.gz WHUGTAYDRCFDNY-UHFFFAOYSA-N 1 2 340.373 3.080 20 30 EGEDLO C=CCN(C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1)C1CC1 ZINC000271449569 455640483 /nfs/dbraw/zinc/64/04/83/455640483.db2.gz NUDGMNTWZHHDRC-MRXNPFEDSA-N 1 2 328.391 3.009 20 30 EGEDLO CC(C)(C)C[N@H+](CCC#N)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192599546 455650171 /nfs/dbraw/zinc/65/01/71/455650171.db2.gz AUHUUFBZBGNXNC-GOSISDBHSA-N 1 2 338.455 3.315 20 30 EGEDLO CC(C)(C)C[N@@H+](CCC#N)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192599546 455650173 /nfs/dbraw/zinc/65/01/73/455650173.db2.gz AUHUUFBZBGNXNC-GOSISDBHSA-N 1 2 338.455 3.315 20 30 EGEDLO Cc1nc(C2([NH2+]CCOc3ccccc3C#N)CCCCC2)no1 ZINC000248047085 455674346 /nfs/dbraw/zinc/67/43/46/455674346.db2.gz RAHRTDRWLQMYOL-UHFFFAOYSA-N 1 2 326.400 3.078 20 30 EGEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000186307453 455739849 /nfs/dbraw/zinc/73/98/49/455739849.db2.gz BIEVNACYDLKTFU-SWLSCSKDSA-N 1 2 339.361 3.292 20 30 EGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000186307453 455739852 /nfs/dbraw/zinc/73/98/52/455739852.db2.gz BIEVNACYDLKTFU-SWLSCSKDSA-N 1 2 339.361 3.292 20 30 EGEDLO COc1cccc(C2([NH2+]Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)c1 ZINC000271745911 455743052 /nfs/dbraw/zinc/74/30/52/455743052.db2.gz XLHNOCUDLZHYND-UHFFFAOYSA-N 1 2 346.390 3.396 20 30 EGEDLO CCc1nocc1C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000293396163 455784189 /nfs/dbraw/zinc/78/41/89/455784189.db2.gz LEBZOHHJYREKOD-HNNXBMFYSA-N 1 2 340.427 3.004 20 30 EGEDLO CCc1nocc1C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000293396163 455784194 /nfs/dbraw/zinc/78/41/94/455784194.db2.gz LEBZOHHJYREKOD-HNNXBMFYSA-N 1 2 340.427 3.004 20 30 EGEDLO C=C(C)[C@H](CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)OCC ZINC000279350200 455863679 /nfs/dbraw/zinc/86/36/79/455863679.db2.gz BTZQSRBUHUMHKE-SFHVURJKSA-N 1 2 345.487 3.297 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270049025 455865689 /nfs/dbraw/zinc/86/56/89/455865689.db2.gz DSTHODYEGQDFNR-WBVHZDCISA-N 1 2 341.455 3.317 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2cc(C#N)ccc2Cl)CC1(C)C ZINC000296003649 455866341 /nfs/dbraw/zinc/86/63/41/455866341.db2.gz VUUKCLPUJGVUFF-AWEZNQCLSA-N 1 2 328.803 3.168 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000187195662 455880158 /nfs/dbraw/zinc/88/01/58/455880158.db2.gz PHNCZMJPWNOFNS-FQEVSTJZSA-N 1 2 345.487 3.163 20 30 EGEDLO CC(C)(C#N)c1ccc(C(=O)NCCc2cn3ccccc3[nH+]2)cc1 ZINC000280001288 455880719 /nfs/dbraw/zinc/88/07/19/455880719.db2.gz RTWCXIXEMFZNEP-UHFFFAOYSA-N 1 2 332.407 3.108 20 30 EGEDLO C=CCN(CCc1ccco1)C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000272417525 455944083 /nfs/dbraw/zinc/94/40/83/455944083.db2.gz GUZUCUQPNUAGOQ-UHFFFAOYSA-N 1 2 338.411 3.176 20 30 EGEDLO N#CCSCCC[N@@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000187854968 455961043 /nfs/dbraw/zinc/96/10/43/455961043.db2.gz SSNDABYZPGFQMV-HNNXBMFYSA-N 1 2 328.840 3.499 20 30 EGEDLO N#CCSCCC[N@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000187854968 455961049 /nfs/dbraw/zinc/96/10/49/455961049.db2.gz SSNDABYZPGFQMV-HNNXBMFYSA-N 1 2 328.840 3.499 20 30 EGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCc1ccc(C#N)cc1 ZINC000280385870 455961297 /nfs/dbraw/zinc/96/12/97/455961297.db2.gz MLWTVGZPOFRSCK-QGZVFWFLSA-N 1 2 337.427 3.211 20 30 EGEDLO C=C(Br)C[NH2+][C@H](CO)c1ccccc1OC(F)(F)F ZINC000280531277 455991743 /nfs/dbraw/zinc/99/17/43/455991743.db2.gz OXWWFRQGLCUDGA-SNVBAGLBSA-N 1 2 340.139 3.117 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC000272637591 456022144 /nfs/dbraw/zinc/02/21/44/456022144.db2.gz XECLTKIYQBDORQ-GFCCVEGCSA-N 1 2 337.370 3.241 20 30 EGEDLO COc1cc[nH+]cc1COC(=O)CCCCOc1cccc(C#N)c1 ZINC000286870571 456056220 /nfs/dbraw/zinc/05/62/20/456056220.db2.gz DGJWKNZHOZENMT-UHFFFAOYSA-N 1 2 340.379 3.254 20 30 EGEDLO C=CC[C@H](CC)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000280908989 456078638 /nfs/dbraw/zinc/07/86/38/456078638.db2.gz DEMONGRASODFSE-JKSUJKDBSA-N 1 2 330.407 3.303 20 30 EGEDLO C=CC[C@@H](CC)NC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000280929063 456085748 /nfs/dbraw/zinc/08/57/48/456085748.db2.gz FUJAHDKSKFDLKO-CVEARBPZSA-N 1 2 330.407 3.303 20 30 EGEDLO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1C#N)c1c(F)cccc1F ZINC000301303019 456086103 /nfs/dbraw/zinc/08/61/03/456086103.db2.gz SCOCHRSNCGEMBX-INIZCTEOSA-N 1 2 346.337 3.459 20 30 EGEDLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC(C)(C#N)CC3)cn2c1 ZINC000272889234 456102368 /nfs/dbraw/zinc/10/23/68/456102368.db2.gz AMFXICUXDHRDNV-UHFFFAOYSA-N 1 2 342.468 3.028 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccc4ncccc4c3)CC2)cc1 ZINC000271036706 456106026 /nfs/dbraw/zinc/10/60/26/456106026.db2.gz LBTWFWGZOHYKBY-UHFFFAOYSA-N 1 2 342.446 3.424 20 30 EGEDLO C#Cc1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000289255217 456119593 /nfs/dbraw/zinc/11/95/93/456119593.db2.gz MEHLVQOJFNMSTJ-ROUUACIJSA-N 1 2 327.449 3.054 20 30 EGEDLO C#Cc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000289255217 456119598 /nfs/dbraw/zinc/11/95/98/456119598.db2.gz MEHLVQOJFNMSTJ-ROUUACIJSA-N 1 2 327.449 3.054 20 30 EGEDLO CCc1nnc(NCc2cccc(Cn3cc[nH+]c3)c2)c(C#N)c1CC ZINC000301612275 456162669 /nfs/dbraw/zinc/16/26/69/456162669.db2.gz FSNUPOHAWQVYRQ-UHFFFAOYSA-N 1 2 346.438 3.330 20 30 EGEDLO CCc1nnc(NCCc2[nH+]c3ccccc3n2CC)c(C#N)c1CC ZINC000301621355 456164553 /nfs/dbraw/zinc/16/45/53/456164553.db2.gz NFCAKUYJJGYJRA-UHFFFAOYSA-N 1 2 348.454 3.497 20 30 EGEDLO C=CCc1cc(C[N@@H+]2CCC[C@H]2c2nc(C)no2)cc(OC)c1O ZINC000289905190 456175656 /nfs/dbraw/zinc/17/56/56/456175656.db2.gz USGFFAWJXRWAMP-HNNXBMFYSA-N 1 2 329.400 3.158 20 30 EGEDLO C=CCc1cc(C[N@H+]2CCC[C@H]2c2nc(C)no2)cc(OC)c1O ZINC000289905190 456175664 /nfs/dbraw/zinc/17/56/64/456175664.db2.gz USGFFAWJXRWAMP-HNNXBMFYSA-N 1 2 329.400 3.158 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000273536159 456237029 /nfs/dbraw/zinc/23/70/29/456237029.db2.gz UTEMAYGBXBVBFH-IRXDYDNUSA-N 1 2 334.460 3.172 20 30 EGEDLO Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000281652084 456284052 /nfs/dbraw/zinc/28/40/52/456284052.db2.gz PTESHXXUZDWZGG-HDMKZQKVSA-N 1 2 327.428 3.099 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccc2c1OCCO2 ZINC000352793365 456314073 /nfs/dbraw/zinc/31/40/73/456314073.db2.gz OVKUCBAUWMDNTH-UHFFFAOYSA-N 1 2 329.396 3.121 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc2c1OCCO2 ZINC000352793365 456314077 /nfs/dbraw/zinc/31/40/77/456314077.db2.gz OVKUCBAUWMDNTH-UHFFFAOYSA-N 1 2 329.396 3.121 20 30 EGEDLO CC(C)N1CCC[C@H]([N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1=O ZINC000336878286 456314707 /nfs/dbraw/zinc/31/47/07/456314707.db2.gz CWLITUGTDMSFTQ-QRVBRYPASA-N 1 2 325.456 3.158 20 30 EGEDLO CC(C)N1CCC[C@H]([N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1=O ZINC000336878286 456314713 /nfs/dbraw/zinc/31/47/13/456314713.db2.gz CWLITUGTDMSFTQ-QRVBRYPASA-N 1 2 325.456 3.158 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000347731411 456335997 /nfs/dbraw/zinc/33/59/97/456335997.db2.gz SLSGGOYGSYEZHU-SFHVURJKSA-N 1 2 340.471 3.433 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000347731411 456335998 /nfs/dbraw/zinc/33/59/98/456335998.db2.gz SLSGGOYGSYEZHU-SFHVURJKSA-N 1 2 340.471 3.433 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000347731411 456336000 /nfs/dbraw/zinc/33/60/00/456336000.db2.gz SLSGGOYGSYEZHU-SFHVURJKSA-N 1 2 340.471 3.433 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000347731411 456336003 /nfs/dbraw/zinc/33/60/03/456336003.db2.gz SLSGGOYGSYEZHU-SFHVURJKSA-N 1 2 340.471 3.433 20 30 EGEDLO CCc1ccc(CN(C)C(=O)C[N@H+](CCC#N)CC(C)(C)C)cc1 ZINC000352869264 456377317 /nfs/dbraw/zinc/37/73/17/456377317.db2.gz GMVCJKKYISJLFP-UHFFFAOYSA-N 1 2 329.488 3.469 20 30 EGEDLO CCc1ccc(CN(C)C(=O)C[N@@H+](CCC#N)CC(C)(C)C)cc1 ZINC000352869264 456377321 /nfs/dbraw/zinc/37/73/21/456377321.db2.gz GMVCJKKYISJLFP-UHFFFAOYSA-N 1 2 329.488 3.469 20 30 EGEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)CC3CCCCC3)CC2)c1 ZINC000337683874 456478430 /nfs/dbraw/zinc/47/84/30/456478430.db2.gz OWBAXYFPGKIKSP-UHFFFAOYSA-N 1 2 325.456 3.173 20 30 EGEDLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000298719054 456524584 /nfs/dbraw/zinc/52/45/84/456524584.db2.gz NHVSBISATQUNJX-AEFFLSMTSA-N 1 2 343.471 3.049 20 30 EGEDLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000298719054 456524587 /nfs/dbraw/zinc/52/45/87/456524587.db2.gz NHVSBISATQUNJX-AEFFLSMTSA-N 1 2 343.471 3.049 20 30 EGEDLO Cn1cc(C[NH2+]Cc2csc(CCc3ccccc3)n2)cc1C#N ZINC000276649737 456541290 /nfs/dbraw/zinc/54/12/90/456541290.db2.gz TVWBRADEGGNCER-UHFFFAOYSA-N 1 2 336.464 3.428 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000337889817 456588724 /nfs/dbraw/zinc/58/87/24/456588724.db2.gz GQAGXUWSFBRANG-SFHVURJKSA-N 1 2 348.381 3.259 20 30 EGEDLO N#Cc1ccccc1C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000348341017 456635881 /nfs/dbraw/zinc/63/58/81/456635881.db2.gz CUJVXNYEBGMLCG-INIZCTEOSA-N 1 2 331.213 3.144 20 30 EGEDLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(CCC#N)CC1 ZINC000340758917 456671550 /nfs/dbraw/zinc/67/15/50/456671550.db2.gz QXRWCXCFSOZXMC-INIZCTEOSA-N 1 2 336.277 3.431 20 30 EGEDLO C=CCC(C)(C)c1noc(-c2ccccc2C[NH+]2CCOCC2)n1 ZINC000340801789 456693152 /nfs/dbraw/zinc/69/31/52/456693152.db2.gz RQPQSOYRTCLARD-UHFFFAOYSA-N 1 2 327.428 3.423 20 30 EGEDLO N#CCOc1ccc(/C=C/C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000299466176 456701698 /nfs/dbraw/zinc/70/16/98/456701698.db2.gz CQWIRCJXVLUQON-NADMHLTPSA-N 1 2 336.395 3.079 20 30 EGEDLO N#Cc1cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)ccc1F ZINC000348495318 456715174 /nfs/dbraw/zinc/71/51/74/456715174.db2.gz OVYQWEFIBHDBOY-QPJJXVBHSA-N 1 2 349.409 3.169 20 30 EGEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CCOc2ccccc2F)CC1 ZINC000348511416 456723966 /nfs/dbraw/zinc/72/39/66/456723966.db2.gz OISCTBPAPGKWSD-LJQANCHMSA-N 1 2 339.414 3.087 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@H]2CCNC(=O)C2)C[C@H](C)O1 ZINC000328695606 456739832 /nfs/dbraw/zinc/73/98/32/456739832.db2.gz TWMCBXQLOXFFFQ-ZNMIVQPWSA-N 1 2 345.443 3.250 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@H]2CCNC(=O)C2)C[C@H](C)O1 ZINC000328695606 456739833 /nfs/dbraw/zinc/73/98/33/456739833.db2.gz TWMCBXQLOXFFFQ-ZNMIVQPWSA-N 1 2 345.443 3.250 20 30 EGEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(C(=O)CC2CCCCC2)CC1 ZINC000328707637 456742478 /nfs/dbraw/zinc/74/24/78/456742478.db2.gz LZLQHQAKLOJFGC-INIZCTEOSA-N 1 2 349.519 3.389 20 30 EGEDLO N#Cc1cccc(C[NH+]2CCN(c3cccc(F)c3F)CC2)c1F ZINC000340890794 456743565 /nfs/dbraw/zinc/74/35/65/456743565.db2.gz HWLOZBPLEWTWJO-UHFFFAOYSA-N 1 2 331.341 3.298 20 30 EGEDLO O=C(N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCCCC1)C1CCCCC1 ZINC000328794421 456763126 /nfs/dbraw/zinc/76/31/26/456763126.db2.gz SLWGALMQIMBVEO-QGZVFWFLSA-N 1 2 346.475 3.260 20 30 EGEDLO O=C(N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCCCC1)C1CCCCC1 ZINC000328794421 456763133 /nfs/dbraw/zinc/76/31/33/456763133.db2.gz SLWGALMQIMBVEO-QGZVFWFLSA-N 1 2 346.475 3.260 20 30 EGEDLO Cc1cn2cc(NC(=O)c3coc(C4CCOCC4)n3)ccc2[nH+]1 ZINC000328835427 456772637 /nfs/dbraw/zinc/77/26/37/456772637.db2.gz XEBLZANPRUWRIC-UHFFFAOYSA-N 1 2 326.356 3.161 20 30 EGEDLO C=CCn1c(SCc2c[nH+]ccc2OC)nc2sccc2c1=O ZINC000343833284 456777320 /nfs/dbraw/zinc/77/73/20/456777320.db2.gz GQEOHPOHTDECEU-UHFFFAOYSA-N 1 2 345.449 3.340 20 30 EGEDLO CCN(CC)c1ccc(CNC(=O)Nc2ccc(C#N)c(F)c2)c[nH+]1 ZINC000353579278 456777583 /nfs/dbraw/zinc/77/75/83/456777583.db2.gz TWONERPJVIWDRV-UHFFFAOYSA-N 1 2 341.390 3.260 20 30 EGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NC1CCC(F)(F)CC1)C2 ZINC000328871414 456781330 /nfs/dbraw/zinc/78/13/30/456781330.db2.gz DMABPRLTBRLVPZ-UHFFFAOYSA-N 1 2 340.418 3.394 20 30 EGEDLO O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N1CCC(CC(F)(F)F)CC1 ZINC000328890439 456785210 /nfs/dbraw/zinc/78/52/10/456785210.db2.gz RQVUKFAAGOMJIU-ZDUSSCGKSA-N 1 2 344.381 3.024 20 30 EGEDLO Cc1ccc(NC(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)cc1 ZINC000329000376 456809424 /nfs/dbraw/zinc/80/94/24/456809424.db2.gz VPROLAJIKYCQNE-MRXNPFEDSA-N 1 2 328.416 3.222 20 30 EGEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1c(Cl)ncnc1N(C)C ZINC000283695385 456826165 /nfs/dbraw/zinc/82/61/65/456826165.db2.gz XNUJTKOBCPZWEJ-UHFFFAOYSA-N 1 2 343.862 3.478 20 30 EGEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1c(Cl)ncnc1N(C)C ZINC000283695385 456826167 /nfs/dbraw/zinc/82/61/67/456826167.db2.gz XNUJTKOBCPZWEJ-UHFFFAOYSA-N 1 2 343.862 3.478 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)[C@@H](C)C1CCOCC1)C1CCOCC1 ZINC000329080763 456831234 /nfs/dbraw/zinc/83/12/34/456831234.db2.gz RIRRLBOGZNROLC-WMLDXEAASA-N 1 2 349.475 3.390 20 30 EGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H]1CCO[C@@H](C(C)C)C1)C2 ZINC000329092475 456832205 /nfs/dbraw/zinc/83/22/05/456832205.db2.gz AQVQBJVIGOPAMO-RHSMWYFYSA-N 1 2 348.491 3.019 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc(CC#N)cc1 ZINC000353674765 456846688 /nfs/dbraw/zinc/84/66/88/456846688.db2.gz JGYYGIHTBOJAMB-UHFFFAOYSA-N 1 2 340.333 3.328 20 30 EGEDLO O=C(C[N@@H+]1CCC[C@H]1c1cccnc1)Nc1nc2c(s1)CCC2 ZINC000329242569 456859853 /nfs/dbraw/zinc/85/98/53/456859853.db2.gz SKAGDKIVHORCQV-AWEZNQCLSA-N 1 2 328.441 3.452 20 30 EGEDLO O=C(C[N@H+]1CCC[C@H]1c1cccnc1)Nc1nc2c(s1)CCC2 ZINC000329242569 456859857 /nfs/dbraw/zinc/85/98/57/456859857.db2.gz SKAGDKIVHORCQV-AWEZNQCLSA-N 1 2 328.441 3.452 20 30 EGEDLO C[C@H](C1CC1)n1cc(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)cn1 ZINC000329323510 456872905 /nfs/dbraw/zinc/87/29/05/456872905.db2.gz FVRRIYOUWIYZBS-DYVFJYSZSA-N 1 2 332.448 3.086 20 30 EGEDLO C[C@H](C1CC1)n1cc(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)cn1 ZINC000329323510 456872909 /nfs/dbraw/zinc/87/29/09/456872909.db2.gz FVRRIYOUWIYZBS-DYVFJYSZSA-N 1 2 332.448 3.086 20 30 EGEDLO CCc1cccc2c1OCC[C@H]2NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000329329950 456873759 /nfs/dbraw/zinc/87/37/59/456873759.db2.gz LHMYGUMLKFDMNX-QGZVFWFLSA-N 1 2 344.455 3.284 20 30 EGEDLO Cc1nsc(N2CC[NH+](Cc3cc4ccccc4o3)CC2)c1C#N ZINC000329354513 456877174 /nfs/dbraw/zinc/87/71/74/456877174.db2.gz FIKPUXHKYKYDCY-UHFFFAOYSA-N 1 2 338.436 3.392 20 30 EGEDLO O=C(N[C@@H]1CCCOc2cc(F)ccc21)[C@H]1CCn2c[nH+]cc2C1 ZINC000329418473 456887698 /nfs/dbraw/zinc/88/76/98/456887698.db2.gz DSKYFSUJOIZGBL-BLLLJJGKSA-N 1 2 329.375 3.455 20 30 EGEDLO COC1(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CCC(C)CC1 ZINC000329485530 456898811 /nfs/dbraw/zinc/89/88/11/456898811.db2.gz GBRVTLADEKKYQD-URSIVYNOSA-N 1 2 338.492 3.182 20 30 EGEDLO COC1(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CCC(C)CC1 ZINC000329485530 456898813 /nfs/dbraw/zinc/89/88/13/456898813.db2.gz GBRVTLADEKKYQD-URSIVYNOSA-N 1 2 338.492 3.182 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)C2)[nH]1 ZINC000329491993 456899775 /nfs/dbraw/zinc/89/97/75/456899775.db2.gz VVXXVHHXOXDSSA-JYXJIEJFSA-N 1 2 347.507 3.462 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)C2)[nH]1 ZINC000329491993 456899780 /nfs/dbraw/zinc/89/97/80/456899780.db2.gz VVXXVHHXOXDSSA-JYXJIEJFSA-N 1 2 347.507 3.462 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)C2)n1 ZINC000329491993 456899783 /nfs/dbraw/zinc/89/97/83/456899783.db2.gz VVXXVHHXOXDSSA-JYXJIEJFSA-N 1 2 347.507 3.462 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)C2)n1 ZINC000329491993 456899788 /nfs/dbraw/zinc/89/97/88/456899788.db2.gz VVXXVHHXOXDSSA-JYXJIEJFSA-N 1 2 347.507 3.462 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)C2)n[nH]1 ZINC000329491993 456899792 /nfs/dbraw/zinc/89/97/92/456899792.db2.gz VVXXVHHXOXDSSA-JYXJIEJFSA-N 1 2 347.507 3.462 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@H+]([C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)C2)n[nH]1 ZINC000329491993 456899797 /nfs/dbraw/zinc/89/97/97/456899797.db2.gz VVXXVHHXOXDSSA-JYXJIEJFSA-N 1 2 347.507 3.462 20 30 EGEDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)[C@@H]1C[C@]12CCOC2 ZINC000329549671 456907301 /nfs/dbraw/zinc/90/73/01/456907301.db2.gz ACPBADQEEHYALI-LPHOPBHVSA-N 1 2 329.444 3.345 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c2ccon2)c1 ZINC000349254504 456925326 /nfs/dbraw/zinc/92/53/26/456925326.db2.gz YMYDOXHXNIIRSF-CVEARBPZSA-N 1 2 340.427 3.277 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1[nH+]ccn1C ZINC000341765743 456933210 /nfs/dbraw/zinc/93/32/10/456933210.db2.gz AJTXQYKIQJNAKX-ZDUSSCGKSA-N 1 2 343.456 3.478 20 30 EGEDLO CN(Cc1[nH+]ccn1C)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000341775029 456938869 /nfs/dbraw/zinc/93/88/69/456938869.db2.gz IPJPXWGQFOFNRX-UHFFFAOYSA-N 1 2 344.418 3.484 20 30 EGEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCCOCC1 ZINC000329791612 456940817 /nfs/dbraw/zinc/94/08/17/456940817.db2.gz DTOOWLQHBPZHCJ-UHFFFAOYSA-N 1 2 340.427 3.154 20 30 EGEDLO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1NC([O-])=[NH+]C[C@@H]1COCCO1 ZINC000329865079 456952495 /nfs/dbraw/zinc/95/24/95/456952495.db2.gz TYCOAFJQRLKIRE-DOTOQJQBSA-N 1 2 347.459 3.115 20 30 EGEDLO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1NC([O-])=[NH+]C[C@@H]1COCCO1 ZINC000329865079 456952497 /nfs/dbraw/zinc/95/24/97/456952497.db2.gz TYCOAFJQRLKIRE-DOTOQJQBSA-N 1 2 347.459 3.115 20 30 EGEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000349374288 456957090 /nfs/dbraw/zinc/95/70/90/456957090.db2.gz QUIMXRVQFJXZDC-DOTOQJQBSA-N 1 2 340.475 3.475 20 30 EGEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000349374288 456957092 /nfs/dbraw/zinc/95/70/92/456957092.db2.gz QUIMXRVQFJXZDC-DOTOQJQBSA-N 1 2 340.475 3.475 20 30 EGEDLO CC1(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000345184970 456958067 /nfs/dbraw/zinc/95/80/67/456958067.db2.gz YTSHYIOCIGHEJL-UHFFFAOYSA-N 1 2 325.456 3.173 20 30 EGEDLO CCC[C@H](NC(=O)C[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1)c1ccccc1 ZINC000329926301 456962699 /nfs/dbraw/zinc/96/26/99/456962699.db2.gz WBLNTPOZAXHIAO-IMFGXOCKSA-N 1 2 346.471 3.364 20 30 EGEDLO CCC[C@H](NC(=O)C[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1)c1ccccc1 ZINC000329926301 456962700 /nfs/dbraw/zinc/96/27/00/456962700.db2.gz WBLNTPOZAXHIAO-IMFGXOCKSA-N 1 2 346.471 3.364 20 30 EGEDLO CC1(C)CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)[C@@H]1c1cccnc1 ZINC000330193343 457000299 /nfs/dbraw/zinc/00/02/99/457000299.db2.gz AIXOYUVSGFCIGB-JKSUJKDBSA-N 1 2 339.443 3.153 20 30 EGEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(C#N)cc1 ZINC000356478585 457011281 /nfs/dbraw/zinc/01/12/81/457011281.db2.gz XYONSNPIBPRLOD-UHFFFAOYSA-N 1 2 338.798 3.154 20 30 EGEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(C#N)cc1 ZINC000356478585 457011287 /nfs/dbraw/zinc/01/12/87/457011287.db2.gz XYONSNPIBPRLOD-UHFFFAOYSA-N 1 2 338.798 3.154 20 30 EGEDLO O=C(N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1)c1ccc2ccccc2c1 ZINC000330288288 457022006 /nfs/dbraw/zinc/02/20/06/457022006.db2.gz CWZOPALHQQMBAF-MSOLQXFVSA-N 1 2 337.423 3.338 20 30 EGEDLO O=C(N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1)c1ccc2ccccc2c1 ZINC000330288288 457022010 /nfs/dbraw/zinc/02/20/10/457022010.db2.gz CWZOPALHQQMBAF-MSOLQXFVSA-N 1 2 337.423 3.338 20 30 EGEDLO Cc1ccc(NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)c(F)c1 ZINC000330350008 457033261 /nfs/dbraw/zinc/03/32/61/457033261.db2.gz KOVAHBKHVLRSPO-MLGOLLRUSA-N 1 2 332.379 3.114 20 30 EGEDLO CCc1cccc(C)c1NC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330351745 457033955 /nfs/dbraw/zinc/03/39/55/457033955.db2.gz MQLWMMOTCXYDBZ-MRXNPFEDSA-N 1 2 341.459 3.205 20 30 EGEDLO COCC1(C#N)CC[NH+]([C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000341982270 457039787 /nfs/dbraw/zinc/03/97/87/457039787.db2.gz ACXMOLJSSFHNOZ-CQSZACIVSA-N 1 2 326.400 3.050 20 30 EGEDLO COCC1(C#N)CC[NH+](CC(=O)Nc2ccccc2C(C)(C)C)CC1 ZINC000342001394 457054524 /nfs/dbraw/zinc/05/45/24/457054524.db2.gz ZRKOJDXFRWGHLL-UHFFFAOYSA-N 1 2 343.471 3.175 20 30 EGEDLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000330578513 457058366 /nfs/dbraw/zinc/05/83/66/457058366.db2.gz HSOMHAYJMFVFIH-MSOLQXFVSA-N 1 2 343.471 3.049 20 30 EGEDLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000330578513 457058368 /nfs/dbraw/zinc/05/83/68/457058368.db2.gz HSOMHAYJMFVFIH-MSOLQXFVSA-N 1 2 343.471 3.049 20 30 EGEDLO CC(C)[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccccc1F ZINC000346610447 457076713 /nfs/dbraw/zinc/07/67/13/457076713.db2.gz VUBHWJSORSPSDU-UHFFFAOYSA-N 1 2 339.414 3.224 20 30 EGEDLO CC(C)[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccccc1F ZINC000346610447 457076718 /nfs/dbraw/zinc/07/67/18/457076718.db2.gz VUBHWJSORSPSDU-UHFFFAOYSA-N 1 2 339.414 3.224 20 30 EGEDLO CC[N@H+](CC(=O)N1CCC(F)(C#N)CC1)Cc1ccccc1Cl ZINC000359360180 457077301 /nfs/dbraw/zinc/07/73/01/457077301.db2.gz LIBMXYSBAKUKTR-UHFFFAOYSA-N 1 2 337.826 3.016 20 30 EGEDLO CC[N@@H+](CC(=O)N1CCC(F)(C#N)CC1)Cc1ccccc1Cl ZINC000359360180 457077306 /nfs/dbraw/zinc/07/73/06/457077306.db2.gz LIBMXYSBAKUKTR-UHFFFAOYSA-N 1 2 337.826 3.016 20 30 EGEDLO CCCc1[nH+]c2ccccc2n1CCC(=O)N1CCC(F)(C#N)CC1 ZINC000359359768 457077390 /nfs/dbraw/zinc/07/73/90/457077390.db2.gz KTFNGJYADGVBLA-UHFFFAOYSA-N 1 2 342.418 3.233 20 30 EGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1nccc(C#N)c1Cl ZINC000342088929 457102092 /nfs/dbraw/zinc/10/20/92/457102092.db2.gz BOHWTWDYADAFSN-UHFFFAOYSA-N 1 2 329.713 3.002 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000330991086 457116669 /nfs/dbraw/zinc/11/66/69/457116669.db2.gz YGHXMWYSEJPDLE-BIENJYKASA-N 1 2 349.425 3.197 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000330991086 457116674 /nfs/dbraw/zinc/11/66/74/457116674.db2.gz YGHXMWYSEJPDLE-BIENJYKASA-N 1 2 349.425 3.197 20 30 EGEDLO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2COc3cc(F)cc(F)c32)cc1 ZINC000359864449 457135508 /nfs/dbraw/zinc/13/55/08/457135508.db2.gz CKESINCIXSUYBH-BDJLRTHQSA-N 1 2 330.334 3.479 20 30 EGEDLO CC(C)C[N@H+](Cc1nnnn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000346785020 457168917 /nfs/dbraw/zinc/16/89/17/457168917.db2.gz ZFYUHXMOHMJZRR-UHFFFAOYSA-N 1 2 346.438 3.192 20 30 EGEDLO CC(C)C[N@@H+](Cc1nnnn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000346785020 457168922 /nfs/dbraw/zinc/16/89/22/457168922.db2.gz ZFYUHXMOHMJZRR-UHFFFAOYSA-N 1 2 346.438 3.192 20 30 EGEDLO COCC[N@H+](Cc1ccccn1)Cc1ccc(C#N)cc1OC(F)F ZINC000347253943 457312419 /nfs/dbraw/zinc/31/24/19/457312419.db2.gz FXAOAJGMEUEVBW-UHFFFAOYSA-N 1 2 347.365 3.203 20 30 EGEDLO COCC[N@@H+](Cc1ccccn1)Cc1ccc(C#N)cc1OC(F)F ZINC000347253943 457312421 /nfs/dbraw/zinc/31/24/21/457312421.db2.gz FXAOAJGMEUEVBW-UHFFFAOYSA-N 1 2 347.365 3.203 20 30 EGEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCc2cccc(C#N)c2)c1 ZINC000342461704 457315015 /nfs/dbraw/zinc/31/50/15/457315015.db2.gz LBVSTFVNCGIOKM-UHFFFAOYSA-N 1 2 330.391 3.025 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1nnc(-c2ccco2)o1)Cc1cccs1 ZINC000339985221 457319265 /nfs/dbraw/zinc/31/92/65/457319265.db2.gz QOXHJDNFBPWOAH-UHFFFAOYSA-N 1 2 344.396 3.018 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1nnc(-c2ccco2)o1)Cc1cccs1 ZINC000339985221 457319267 /nfs/dbraw/zinc/31/92/67/457319267.db2.gz QOXHJDNFBPWOAH-UHFFFAOYSA-N 1 2 344.396 3.018 20 30 EGEDLO Cc1nc([C@@H]2CCCC[N@H+]2Cc2ccc(N(C)CCC#N)cc2)no1 ZINC000378351952 457394363 /nfs/dbraw/zinc/39/43/63/457394363.db2.gz VATVFLKIEWPGIF-SFHVURJKSA-N 1 2 339.443 3.455 20 30 EGEDLO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2ccc(N(C)CCC#N)cc2)no1 ZINC000378351952 457394371 /nfs/dbraw/zinc/39/43/71/457394371.db2.gz VATVFLKIEWPGIF-SFHVURJKSA-N 1 2 339.443 3.455 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000425111110 457440359 /nfs/dbraw/zinc/44/03/59/457440359.db2.gz OAOIYLRPUAZXEP-ZDUSSCGKSA-N 1 2 335.398 3.055 20 30 EGEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(C[C@@H](C#N)CCC#N)CC1 ZINC000352571428 457475547 /nfs/dbraw/zinc/47/55/47/457475547.db2.gz UWCLPQJCRVMOQR-MRXNPFEDSA-N 1 2 330.863 3.210 20 30 EGEDLO N#Cc1ccncc1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000342761816 457507044 /nfs/dbraw/zinc/50/70/44/457507044.db2.gz TVSIHIURPKHCCK-UHFFFAOYSA-N 1 2 341.374 3.121 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC34CCCCC4)CC2)cc1 ZINC000357458420 457541442 /nfs/dbraw/zinc/54/14/42/457541442.db2.gz ZQAFALVBVRRRHZ-IBGZPJMESA-N 1 2 337.467 3.173 20 30 EGEDLO C#CC[C@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccccc1 ZINC000364354028 457573922 /nfs/dbraw/zinc/57/39/22/457573922.db2.gz NOJBBXQUPAAPSC-ROUUACIJSA-N 1 2 343.423 3.398 20 30 EGEDLO CC(C)c1nnc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)s1 ZINC000425537208 457589222 /nfs/dbraw/zinc/58/92/22/457589222.db2.gz QADYRQOGDDQMDG-LBPRGKRZSA-N 1 2 343.456 3.165 20 30 EGEDLO CC(C)c1nnc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)s1 ZINC000425537208 457589226 /nfs/dbraw/zinc/58/92/26/457589226.db2.gz QADYRQOGDDQMDG-LBPRGKRZSA-N 1 2 343.456 3.165 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C1CC1 ZINC000357549184 457589668 /nfs/dbraw/zinc/58/96/68/457589668.db2.gz FLJYKMJVJPEWQS-UHFFFAOYSA-N 1 2 348.468 3.002 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C1CC1 ZINC000357549184 457589672 /nfs/dbraw/zinc/58/96/72/457589672.db2.gz FLJYKMJVJPEWQS-UHFFFAOYSA-N 1 2 348.468 3.002 20 30 EGEDLO C[C@@H]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000356435959 457625009 /nfs/dbraw/zinc/62/50/09/457625009.db2.gz YLXURCIZBKUXOS-QRQLOZEOSA-N 1 2 336.439 3.380 20 30 EGEDLO CC1(C#N)CN(C(=O)Cn2c3ccccc3[nH+]c2C2CCCCC2)C1 ZINC000361216889 457649076 /nfs/dbraw/zinc/64/90/76/457649076.db2.gz OIHPTPDTAYWCDU-UHFFFAOYSA-N 1 2 336.439 3.456 20 30 EGEDLO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000370456746 457651984 /nfs/dbraw/zinc/65/19/84/457651984.db2.gz KOYGUZHZOAWTHE-IAGOWNOFSA-N 1 2 329.444 3.283 20 30 EGEDLO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000370456746 457651986 /nfs/dbraw/zinc/65/19/86/457651986.db2.gz KOYGUZHZOAWTHE-IAGOWNOFSA-N 1 2 329.444 3.283 20 30 EGEDLO Cc1cnn(CCCCC[N@@H+]2CCC[C@@]3(CCCCO3)[C@@H]2C#N)c1 ZINC000364818128 457698784 /nfs/dbraw/zinc/69/87/84/457698784.db2.gz VKKNAPKMPGVCLH-OALUTQOASA-N 1 2 330.476 3.289 20 30 EGEDLO Cc1cnn(CCCCC[N@H+]2CCC[C@@]3(CCCCO3)[C@@H]2C#N)c1 ZINC000364818128 457698787 /nfs/dbraw/zinc/69/87/87/457698787.db2.gz VKKNAPKMPGVCLH-OALUTQOASA-N 1 2 330.476 3.289 20 30 EGEDLO CCS(=O)(=O)CCCCC[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000365055953 457725137 /nfs/dbraw/zinc/72/51/37/457725137.db2.gz RMLWPJGENFIKIN-MOPGFXCFSA-N 1 2 348.512 3.363 20 30 EGEDLO CCS(=O)(=O)CCCCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000365055953 457725142 /nfs/dbraw/zinc/72/51/42/457725142.db2.gz RMLWPJGENFIKIN-MOPGFXCFSA-N 1 2 348.512 3.363 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(SC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000358059380 457759970 /nfs/dbraw/zinc/75/99/70/457759970.db2.gz FABQQTNEHSPNMH-INIZCTEOSA-N 1 2 339.526 3.362 20 30 EGEDLO C=CC[N@H+](Cc1ccc(SC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000358059380 457759971 /nfs/dbraw/zinc/75/99/71/457759971.db2.gz FABQQTNEHSPNMH-INIZCTEOSA-N 1 2 339.526 3.362 20 30 EGEDLO O=C([C@@H]1Cc2ccccc2C[N@@H+]1CC#Cc1ccccc1)N1CCCC1 ZINC000361691896 457824079 /nfs/dbraw/zinc/82/40/79/457824079.db2.gz HQEXHQITNJZLAU-QFIPXVFZSA-N 1 2 344.458 3.087 20 30 EGEDLO O=C([C@@H]1Cc2ccccc2C[N@H+]1CC#Cc1ccccc1)N1CCCC1 ZINC000361691896 457824082 /nfs/dbraw/zinc/82/40/82/457824082.db2.gz HQEXHQITNJZLAU-QFIPXVFZSA-N 1 2 344.458 3.087 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@@H](O)c3cccc(Cl)c3)CCO2)c1 ZINC000371291811 457850754 /nfs/dbraw/zinc/85/07/54/457850754.db2.gz MLEYWSXKSGJCTR-RTBURBONSA-N 1 2 342.826 3.319 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@@H](O)c3cccc(Cl)c3)CCO2)c1 ZINC000371291811 457850766 /nfs/dbraw/zinc/85/07/66/457850766.db2.gz MLEYWSXKSGJCTR-RTBURBONSA-N 1 2 342.826 3.319 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@H](O)c3cccc(Cl)c3)CCO2)c1 ZINC000371291809 457851361 /nfs/dbraw/zinc/85/13/61/457851361.db2.gz MLEYWSXKSGJCTR-OALUTQOASA-N 1 2 342.826 3.319 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H](O)c3cccc(Cl)c3)CCO2)c1 ZINC000371291809 457851364 /nfs/dbraw/zinc/85/13/64/457851364.db2.gz MLEYWSXKSGJCTR-OALUTQOASA-N 1 2 342.826 3.319 20 30 EGEDLO C=CCOc1ccccc1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000375525115 457960890 /nfs/dbraw/zinc/96/08/90/457960890.db2.gz KBDLUMMHTYIKBQ-HNNXBMFYSA-N 1 2 325.412 3.005 20 30 EGEDLO CN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000362438931 458177525 /nfs/dbraw/zinc/17/75/25/458177525.db2.gz NKFUOGAPOFGCFF-NHCUHLMSSA-N 1 2 347.462 3.417 20 30 EGEDLO CN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000362438931 458177529 /nfs/dbraw/zinc/17/75/29/458177529.db2.gz NKFUOGAPOFGCFF-NHCUHLMSSA-N 1 2 347.462 3.417 20 30 EGEDLO C=CCN(CC(F)(F)F)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372454280 458303565 /nfs/dbraw/zinc/30/35/65/458303565.db2.gz MOQVBBSINODRKU-NSHDSACASA-N 1 2 329.366 3.215 20 30 EGEDLO C=CCN(CC(F)(F)F)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372454280 458303572 /nfs/dbraw/zinc/30/35/72/458303572.db2.gz MOQVBBSINODRKU-NSHDSACASA-N 1 2 329.366 3.215 20 30 EGEDLO Cc1cccn2cc(CS(=O)(=O)CCC3(C#N)CCCCC3)[nH+]c12 ZINC000414405111 458318300 /nfs/dbraw/zinc/31/83/00/458318300.db2.gz CMIFSXFSKSGMKY-UHFFFAOYSA-N 1 2 345.468 3.422 20 30 EGEDLO N#CC1(CNC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CCC1 ZINC000419523076 458384819 /nfs/dbraw/zinc/38/48/19/458384819.db2.gz OBPOGRNPSOHCDG-UHFFFAOYSA-N 1 2 343.818 3.019 20 30 EGEDLO CC[C@@H](CC(C)C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449043359 458419327 /nfs/dbraw/zinc/41/93/27/458419327.db2.gz XQNALBGVCPFURI-IBGZPJMESA-N 1 2 327.472 3.275 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)CCCC1 ZINC000449866255 458433430 /nfs/dbraw/zinc/43/34/30/458433430.db2.gz CXRKPZWCVNOEPW-QGZVFWFLSA-N 1 2 327.472 3.423 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@]2(C#N)C[C@H]2C)CC1 ZINC000449966752 458435936 /nfs/dbraw/zinc/43/59/36/458435936.db2.gz RNIAQKMEVBOTPE-LBTNJELSSA-N 1 2 331.847 3.095 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000459673175 458443380 /nfs/dbraw/zinc/44/33/80/458443380.db2.gz HUOHEJVQPDZKQT-AWEZNQCLSA-N 1 2 345.874 3.429 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCc2cccc(Cl)c2C1 ZINC000459673175 458443383 /nfs/dbraw/zinc/44/33/83/458443383.db2.gz HUOHEJVQPDZKQT-AWEZNQCLSA-N 1 2 345.874 3.429 20 30 EGEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCc2cscn2)CC1 ZINC000450885298 458459164 /nfs/dbraw/zinc/45/91/64/458459164.db2.gz BCEJZRFQEMHBMN-KRWDZBQOSA-N 1 2 346.887 3.221 20 30 EGEDLO N#Cc1ccc(C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)c(Cl)c1 ZINC000451206360 458470616 /nfs/dbraw/zinc/47/06/16/458470616.db2.gz GDFDVIQGHVRVOX-UHFFFAOYSA-N 1 2 339.826 3.475 20 30 EGEDLO N#Cc1ccc(C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)c(Cl)c1 ZINC000451206360 458470619 /nfs/dbraw/zinc/47/06/19/458470619.db2.gz GDFDVIQGHVRVOX-UHFFFAOYSA-N 1 2 339.826 3.475 20 30 EGEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000459985634 458494363 /nfs/dbraw/zinc/49/43/63/458494363.db2.gz WULCBCJDBXFBIR-UHFFFAOYSA-N 1 2 349.425 3.272 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000373450142 458495996 /nfs/dbraw/zinc/49/59/96/458495996.db2.gz ZEFCZKRBBNRYHR-QGZVFWFLSA-N 1 2 331.847 3.189 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000373450142 458496001 /nfs/dbraw/zinc/49/60/01/458496001.db2.gz ZEFCZKRBBNRYHR-QGZVFWFLSA-N 1 2 331.847 3.189 20 30 EGEDLO C=CCOc1ccc(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc1 ZINC000452451397 458501027 /nfs/dbraw/zinc/50/10/27/458501027.db2.gz LDPNDQAJJFMEOV-MRXNPFEDSA-N 1 2 325.412 3.208 20 30 EGEDLO N#C[C@H]1[N@H+](CCCc2ccc3c(c2)CCO3)CCC[C@]12CCCCO2 ZINC000373529335 458520719 /nfs/dbraw/zinc/52/07/19/458520719.db2.gz MUTKYHDZBJJXJH-NHCUHLMSSA-N 1 2 340.467 3.481 20 30 EGEDLO N#C[C@H]1[N@@H+](CCCc2ccc3c(c2)CCO3)CCC[C@]12CCCCO2 ZINC000373529335 458520724 /nfs/dbraw/zinc/52/07/24/458520724.db2.gz MUTKYHDZBJJXJH-NHCUHLMSSA-N 1 2 340.467 3.481 20 30 EGEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000454730849 458573398 /nfs/dbraw/zinc/57/33/98/458573398.db2.gz YTFPZMCUNOPYKL-GOEBONIOSA-N 1 2 325.416 3.308 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)CCCCOc2cccc(C#N)c2)c2[nH+]ccn21 ZINC000456360076 458646322 /nfs/dbraw/zinc/64/63/22/458646322.db2.gz DCFDHUVRMFKPQO-WMLDXEAASA-N 1 2 338.411 3.126 20 30 EGEDLO CC(C)c1nc(N2CC=C(c3ccc(C#N)cc3)CC2)nc(N(C)C)[nH+]1 ZINC000502785668 458668817 /nfs/dbraw/zinc/66/88/17/458668817.db2.gz RGGHYUWEGQTAQA-UHFFFAOYSA-N 1 2 348.454 3.226 20 30 EGEDLO CS(=O)(=O)C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccccc1 ZINC000439439976 458701270 /nfs/dbraw/zinc/70/12/70/458701270.db2.gz OVAGVHDWLFHJHR-QGZVFWFLSA-N 1 2 348.855 3.087 20 30 EGEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2c(F)ccc(O)c2F)CC1 ZINC000507492922 458754745 /nfs/dbraw/zinc/75/47/45/458754745.db2.gz RDAKRZCUNHQSDH-UHFFFAOYSA-N 1 2 343.377 3.254 20 30 EGEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2c(F)ccc(O)c2F)CC1 ZINC000507492922 458754754 /nfs/dbraw/zinc/75/47/54/458754754.db2.gz RDAKRZCUNHQSDH-UHFFFAOYSA-N 1 2 343.377 3.254 20 30 EGEDLO CN(C(=O)C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1)c1ccccc1 ZINC000464823028 458778324 /nfs/dbraw/zinc/77/83/24/458778324.db2.gz OMXAWZBDTMBRFD-UXHICEINSA-N 1 2 333.435 3.421 20 30 EGEDLO CN(C(=O)C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1)c1ccccc1 ZINC000464823028 458778330 /nfs/dbraw/zinc/77/83/30/458778330.db2.gz OMXAWZBDTMBRFD-UXHICEINSA-N 1 2 333.435 3.421 20 30 EGEDLO Cc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000464827566 458780413 /nfs/dbraw/zinc/78/04/13/458780413.db2.gz KKYGLMDWUQIEQK-RTWAWAEBSA-N 1 2 347.462 3.383 20 30 EGEDLO Cc1ccccc1CNC(=O)C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000464827566 458780417 /nfs/dbraw/zinc/78/04/17/458780417.db2.gz KKYGLMDWUQIEQK-RTWAWAEBSA-N 1 2 347.462 3.383 20 30 EGEDLO C[C@H](c1cccc(NC(=O)N(C)CC(C)(C)C#N)c1)[NH+]1CCOCC1 ZINC000432802430 458789732 /nfs/dbraw/zinc/78/97/32/458789732.db2.gz BZQWEGQGINAOLF-OAHLLOKOSA-N 1 2 344.459 3.093 20 30 EGEDLO C=CCC[C@H]([NH2+]Cc1nnn(C)n1)c1ccc(C(F)(F)F)cc1 ZINC000440603667 458831974 /nfs/dbraw/zinc/83/19/74/458831974.db2.gz ZZMDMDQITSVCLT-ZDUSSCGKSA-N 1 2 325.338 3.026 20 30 EGEDLO CC#CC[N@@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccc(CC)cc1 ZINC000550126489 458884619 /nfs/dbraw/zinc/88/46/19/458884619.db2.gz WVGHSKUPXMOJJG-HXUWFJFHSA-N 1 2 340.492 3.471 20 30 EGEDLO CC#CC[N@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccc(CC)cc1 ZINC000550126489 458884622 /nfs/dbraw/zinc/88/46/22/458884622.db2.gz WVGHSKUPXMOJJG-HXUWFJFHSA-N 1 2 340.492 3.471 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000551876944 458889520 /nfs/dbraw/zinc/88/95/20/458889520.db2.gz UIHAALMSAROWDR-UHFFFAOYSA-N 1 2 341.377 3.351 20 30 EGEDLO C=CCOc1ccc(C(=O)Nc2nc(C[NH+](C)C)cs2)cc1OC ZINC000457285805 458913290 /nfs/dbraw/zinc/91/32/90/458913290.db2.gz GTFNYLQNOCVFJL-UHFFFAOYSA-N 1 2 347.440 3.030 20 30 EGEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000566428301 458930235 /nfs/dbraw/zinc/93/02/35/458930235.db2.gz DKJJCGGBEWEORF-UONOGXRCSA-N 1 2 334.489 3.479 20 30 EGEDLO Cn1c[nH+]cc1CC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000566874494 459014127 /nfs/dbraw/zinc/01/41/27/459014127.db2.gz DVPLDFUDYRASMV-UHFFFAOYSA-N 1 2 332.363 3.265 20 30 EGEDLO Cn1cc[nH+]c1NN=C1C[C@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000495956048 459018236 /nfs/dbraw/zinc/01/82/36/459018236.db2.gz ALFHZIQXONPBIE-AWEZNQCLSA-N 1 2 341.415 3.206 20 30 EGEDLO COc1cc(CN2CC[NH+](Cc3cccc(F)c3)CC2)ccc1C#N ZINC000442807126 459040610 /nfs/dbraw/zinc/04/06/10/459040610.db2.gz CWWXINGEOAYRNN-UHFFFAOYSA-N 1 2 339.414 3.024 20 30 EGEDLO COc1cc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)ccc1C#N ZINC000442807126 459040613 /nfs/dbraw/zinc/04/06/13/459040613.db2.gz CWWXINGEOAYRNN-UHFFFAOYSA-N 1 2 339.414 3.024 20 30 EGEDLO COc1cc(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)ccc1C#N ZINC000442859929 459047732 /nfs/dbraw/zinc/04/77/32/459047732.db2.gz YBGBTMVLVQGOAG-FQEVSTJZSA-N 1 2 336.435 3.400 20 30 EGEDLO COc1cc(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)ccc1C#N ZINC000442859929 459047733 /nfs/dbraw/zinc/04/77/33/459047733.db2.gz YBGBTMVLVQGOAG-FQEVSTJZSA-N 1 2 336.435 3.400 20 30 EGEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc([C@H](C)Cc3ccc(C#N)cc3)n2)C1 ZINC000594530403 459080580 /nfs/dbraw/zinc/08/05/80/459080580.db2.gz RLVUIYITINEQMU-RHSMWYFYSA-N 1 2 340.427 3.069 20 30 EGEDLO CC(C)[N@H+]1CCO[C@@H](c2noc([C@H](C)Cc3ccc(C#N)cc3)n2)C1 ZINC000594530403 459080586 /nfs/dbraw/zinc/08/05/86/459080586.db2.gz RLVUIYITINEQMU-RHSMWYFYSA-N 1 2 340.427 3.069 20 30 EGEDLO N#Cc1ccc(CCNc2ccc([NH+]3CCCCC3)cc2C(N)=O)cc1 ZINC000594701151 459133771 /nfs/dbraw/zinc/13/37/71/459133771.db2.gz LJRMAINCHGZZKK-UHFFFAOYSA-N 1 2 348.450 3.302 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000558867139 459217813 /nfs/dbraw/zinc/21/78/13/459217813.db2.gz UHGXDYLEXSZVRT-DNVCBOLYSA-N 1 2 334.410 3.285 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000558867139 459217817 /nfs/dbraw/zinc/21/78/17/459217817.db2.gz UHGXDYLEXSZVRT-DNVCBOLYSA-N 1 2 334.410 3.285 20 30 EGEDLO CC(C)[C@@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000481481701 459256186 /nfs/dbraw/zinc/25/61/86/459256186.db2.gz GZEWVWNOGDHMGC-INIZCTEOSA-N 1 2 327.346 3.294 20 30 EGEDLO CC(C)[C@@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000481481701 459256191 /nfs/dbraw/zinc/25/61/91/459256191.db2.gz GZEWVWNOGDHMGC-INIZCTEOSA-N 1 2 327.346 3.294 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000580836826 459265361 /nfs/dbraw/zinc/26/53/61/459265361.db2.gz KQNBIDXYIOYHJA-OZVIIMIRSA-N 1 2 340.254 3.057 20 30 EGEDLO CCOC(=O)c1c(C)n[nH]c1C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000595296405 459271632 /nfs/dbraw/zinc/27/16/32/459271632.db2.gz CYVIXFSDZQMUGA-UHFFFAOYSA-N 1 2 340.427 3.177 20 30 EGEDLO CCOC(=O)c1c(C)n[nH]c1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000595296405 459271636 /nfs/dbraw/zinc/27/16/36/459271636.db2.gz CYVIXFSDZQMUGA-UHFFFAOYSA-N 1 2 340.427 3.177 20 30 EGEDLO C=CCCSCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000595444379 459305151 /nfs/dbraw/zinc/30/51/51/459305151.db2.gz YBNVLONMECWTCJ-INIZCTEOSA-N 1 2 344.484 3.118 20 30 EGEDLO C=C(C)COc1cc(C[N@H+](C)[C@H](C)C(=O)OC(C)C)ccc1OC ZINC000537621458 459366413 /nfs/dbraw/zinc/36/64/13/459366413.db2.gz QLANMDQSKSFXMQ-OAHLLOKOSA-N 1 2 335.444 3.422 20 30 EGEDLO C=C(C)COc1cc(C[N@@H+](C)[C@H](C)C(=O)OC(C)C)ccc1OC ZINC000537621458 459366421 /nfs/dbraw/zinc/36/64/21/459366421.db2.gz QLANMDQSKSFXMQ-OAHLLOKOSA-N 1 2 335.444 3.422 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@H](c2ccc(CC)cc2)C1 ZINC000484351365 459412436 /nfs/dbraw/zinc/41/24/36/459412436.db2.gz IPEUDBPEQIOCOK-PXNSSMCTSA-N 1 2 344.499 3.435 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@H](c2ccc(CC)cc2)C1 ZINC000484351365 459412439 /nfs/dbraw/zinc/41/24/39/459412439.db2.gz IPEUDBPEQIOCOK-PXNSSMCTSA-N 1 2 344.499 3.435 20 30 EGEDLO N#CCC1CCN(C(=O)CCn2c3ccccc3[nH+]c2C2CC2)CC1 ZINC000541054333 459423438 /nfs/dbraw/zinc/42/34/38/459423438.db2.gz SHOIBWZBEPOYIB-UHFFFAOYSA-N 1 2 336.439 3.456 20 30 EGEDLO CN(CCC#N)C[C@H](O)CNc1ccc([NH2+]C2CCCCC2)cc1 ZINC000591773798 459433120 /nfs/dbraw/zinc/43/31/20/459433120.db2.gz XZVSQYAAARKYPZ-LJQANCHMSA-N 1 2 330.476 3.049 20 30 EGEDLO C[C@@H](c1cc(F)ccc1F)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000582838604 459435930 /nfs/dbraw/zinc/43/59/30/459435930.db2.gz QHZSECOGZAXGKA-ZDUSSCGKSA-N 1 2 328.366 3.115 20 30 EGEDLO Cc1cc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000497131363 459452773 /nfs/dbraw/zinc/45/27/73/459452773.db2.gz OEPLUKOFXDDITP-OAHLLOKOSA-N 1 2 344.459 3.345 20 30 EGEDLO COc1ccc([C@H](CNC(=O)OC(C)(C)C)C[N@H+](C)CCC#N)cc1 ZINC000497200497 459483885 /nfs/dbraw/zinc/48/38/85/459483885.db2.gz DMJNVARNOXJHQO-MRXNPFEDSA-N 1 2 347.459 3.149 20 30 EGEDLO COc1ccc([C@H](CNC(=O)OC(C)(C)C)C[N@@H+](C)CCC#N)cc1 ZINC000497200497 459483889 /nfs/dbraw/zinc/48/38/89/459483889.db2.gz DMJNVARNOXJHQO-MRXNPFEDSA-N 1 2 347.459 3.149 20 30 EGEDLO Cc1ccc2nc(NC(=O)C[NH+]3CCC(CC#N)CC3)sc2c1 ZINC000541949269 459514209 /nfs/dbraw/zinc/51/42/09/459514209.db2.gz SRJRSLACXGIQBL-UHFFFAOYSA-N 1 2 328.441 3.169 20 30 EGEDLO C=C(C)[C@@H]([NH2+]Cc1ncnn1CC(F)F)c1ccc(F)c(F)c1 ZINC000488048679 459537498 /nfs/dbraw/zinc/53/74/98/459537498.db2.gz ZFJZTVRUPPWQGJ-OAHLLOKOSA-N 1 2 328.313 3.228 20 30 EGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000489442479 459563571 /nfs/dbraw/zinc/56/35/71/459563571.db2.gz TVXWKCKPUKUSCK-AWEZNQCLSA-N 1 2 335.411 3.062 20 30 EGEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000489442479 459563572 /nfs/dbraw/zinc/56/35/72/459563572.db2.gz TVXWKCKPUKUSCK-AWEZNQCLSA-N 1 2 335.411 3.062 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1ccc2c(c1)NC(=O)CO2)c1ccc(Cl)cc1 ZINC000491126010 459599598 /nfs/dbraw/zinc/59/95/98/459599598.db2.gz JSWVNRKXZDHJKG-OAHLLOKOSA-N 1 2 326.783 3.135 20 30 EGEDLO C#C[C@H]([NH2+]Cc1cnc(N2CCOCC2)s1)c1ccc(Cl)cc1 ZINC000491304720 459615242 /nfs/dbraw/zinc/61/52/42/459615242.db2.gz GSUMQPHNSIJFCX-INIZCTEOSA-N 1 2 347.871 3.097 20 30 EGEDLO N#C[C@H](NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000491520958 459633821 /nfs/dbraw/zinc/63/38/21/459633821.db2.gz QXEIEFUVSBXFOT-CDJHBILGSA-N 1 2 346.365 3.406 20 30 EGEDLO C#CCn1ccc(C[N@H+](CCOC)CCSC2CCCCC2)n1 ZINC000491630552 459642344 /nfs/dbraw/zinc/64/23/44/459642344.db2.gz PLMRVXOAMRXNTD-UHFFFAOYSA-N 1 2 335.517 3.031 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CCOC)CCSC2CCCCC2)n1 ZINC000491630552 459642346 /nfs/dbraw/zinc/64/23/46/459642346.db2.gz PLMRVXOAMRXNTD-UHFFFAOYSA-N 1 2 335.517 3.031 20 30 EGEDLO C#CCN(Cc1ccccc1)C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000491732589 459662681 /nfs/dbraw/zinc/66/26/81/459662681.db2.gz MAGCSKFBCQIXJT-HNNXBMFYSA-N 1 2 349.356 3.118 20 30 EGEDLO C#C[C@H]([NH2+]Cc1cnc(N2CCCC2)nc1)c1ccc(Cl)cc1F ZINC000491767636 459669048 /nfs/dbraw/zinc/66/90/48/459669048.db2.gz JEVHPKBMBWTGGZ-KRWDZBQOSA-N 1 2 344.821 3.333 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000596593813 459688410 /nfs/dbraw/zinc/68/84/10/459688410.db2.gz RXYQWZYSARUOGO-RDTXWAMCSA-N 1 2 334.423 3.363 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000596593813 459688415 /nfs/dbraw/zinc/68/84/15/459688415.db2.gz RXYQWZYSARUOGO-RDTXWAMCSA-N 1 2 334.423 3.363 20 30 EGEDLO CCn1cc[nH+]c1/C=C\C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000492315166 459700966 /nfs/dbraw/zinc/70/09/66/459700966.db2.gz AGFALYPECYNZEG-HJWRWDBZSA-N 1 2 347.340 3.103 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+]2Cc3ccccc3OC[C@@H]2C)c1C#N ZINC000543872683 459709279 /nfs/dbraw/zinc/70/92/79/459709279.db2.gz UZXBQSKRLTUZLF-AWEZNQCLSA-N 1 2 336.391 3.128 20 30 EGEDLO COC(=O)c1cccc(C[N@H+]2Cc3ccccc3OC[C@@H]2C)c1C#N ZINC000543872683 459709284 /nfs/dbraw/zinc/70/92/84/459709284.db2.gz UZXBQSKRLTUZLF-AWEZNQCLSA-N 1 2 336.391 3.128 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000592945231 459722355 /nfs/dbraw/zinc/72/23/55/459722355.db2.gz GRASMCOVBYOOTP-KGLIPLIRSA-N 1 2 340.452 3.478 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000563366255 459764265 /nfs/dbraw/zinc/76/42/65/459764265.db2.gz PRQUTTAKEPWOET-CMPLNLGQSA-N 1 2 328.243 3.452 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000563366293 459764274 /nfs/dbraw/zinc/76/42/74/459764274.db2.gz PRQUTTAKEPWOET-PWSUYJOCSA-N 1 2 328.243 3.452 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CC(C(F)(F)F)C1 ZINC000565698217 459787095 /nfs/dbraw/zinc/78/70/95/459787095.db2.gz VFBZHNZNLHFFAO-NSHDSACASA-N 1 2 332.391 3.145 20 30 EGEDLO CCC(C#N)(CC)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000528422868 459806396 /nfs/dbraw/zinc/80/63/96/459806396.db2.gz KQYDCFDMBYUFGN-HNNXBMFYSA-N 1 2 329.444 3.348 20 30 EGEDLO N#C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1c(Cl)cccc1Cl ZINC000597164863 459859824 /nfs/dbraw/zinc/85/98/24/459859824.db2.gz DQHGZTKOLIEHCK-QMTHXVAHSA-N 1 2 349.221 3.133 20 30 EGEDLO N#C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1c(Cl)cccc1Cl ZINC000597164862 459859922 /nfs/dbraw/zinc/85/99/22/459859922.db2.gz DQHGZTKOLIEHCK-IINYFYTJSA-N 1 2 349.221 3.133 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@@H]3C3CCCC3)CC2)cc1 ZINC000593389113 459875494 /nfs/dbraw/zinc/87/54/94/459875494.db2.gz OABDBWLDVNFXGT-UXHICEINSA-N 1 2 337.467 3.029 20 30 EGEDLO C[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1[nH+]ccn1C ZINC000598465378 459903821 /nfs/dbraw/zinc/90/38/21/459903821.db2.gz QYRFCZRMOWJFQA-AWEZNQCLSA-N 1 2 335.411 3.170 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CCCCCC#N)c1ccc(F)cc1 ZINC000588266736 459939601 /nfs/dbraw/zinc/93/96/01/459939601.db2.gz OQNYWDPXFGCENA-KRWDZBQOSA-N 1 2 328.391 3.239 20 30 EGEDLO C[C@H](c1ccncc1)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000609487526 459969423 /nfs/dbraw/zinc/96/94/23/459969423.db2.gz HHXMSZLPJHFYTE-CQSZACIVSA-N 1 2 349.394 3.084 20 30 EGEDLO CC(C)(C#N)C[C@H](O)Cn1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000598703928 460000299 /nfs/dbraw/zinc/00/02/99/460000299.db2.gz KRQBYPOMZQEZQF-KRWDZBQOSA-N 1 2 348.450 3.371 20 30 EGEDLO CC(C)(C#N)C[C@@H](O)CNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000598727166 460007778 /nfs/dbraw/zinc/00/77/78/460007778.db2.gz ZXQQOBBMLBXLLQ-MRXNPFEDSA-N 1 2 336.439 3.314 20 30 EGEDLO N#Cc1cccc(CNc2ccc(Cl)c(C[NH+]3CCOCC3)c2)n1 ZINC000602647234 460041375 /nfs/dbraw/zinc/04/13/75/460041375.db2.gz XUYWRVITZGRLJW-UHFFFAOYSA-N 1 2 342.830 3.051 20 30 EGEDLO N#Cc1cccc(C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)n1 ZINC000589327730 460074601 /nfs/dbraw/zinc/07/46/01/460074601.db2.gz BLDGKQXVVSFNIY-UHFFFAOYSA-N 1 2 343.390 3.405 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+]2CCC=C(c3cccnc3)C2)c1C#N ZINC000576227698 460095466 /nfs/dbraw/zinc/09/54/66/460095466.db2.gz XPMKKBQMUIWAFX-UHFFFAOYSA-N 1 2 333.391 3.029 20 30 EGEDLO COC(=O)c1cccc(C[N@H+]2CCC=C(c3cccnc3)C2)c1C#N ZINC000576227698 460095475 /nfs/dbraw/zinc/09/54/75/460095475.db2.gz XPMKKBQMUIWAFX-UHFFFAOYSA-N 1 2 333.391 3.029 20 30 EGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000602843587 460155632 /nfs/dbraw/zinc/15/56/32/460155632.db2.gz XVSKIZGZFPHXTG-LBPRGKRZSA-N 1 2 329.429 3.325 20 30 EGEDLO Cc1nc(NC(=O)C[NH2+][C@H](C)CC#N)sc1Cc1ccc(C)cc1 ZINC000602869917 460166530 /nfs/dbraw/zinc/16/65/30/460166530.db2.gz QPGMTPBBAUEUKZ-CYBMUJFWSA-N 1 2 342.468 3.181 20 30 EGEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCCCCNc1cccc[nH+]1 ZINC000618853298 460198463 /nfs/dbraw/zinc/19/84/63/460198463.db2.gz JEXNREIKQDVPQA-GOSISDBHSA-N 1 2 349.438 3.132 20 30 EGEDLO N#Cc1cc(F)cc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000603080099 460238287 /nfs/dbraw/zinc/23/82/87/460238287.db2.gz HXXKZZMRFOXKSM-UHFFFAOYSA-N 1 2 344.415 3.109 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1 ZINC000599470661 460259388 /nfs/dbraw/zinc/25/93/88/460259388.db2.gz VNSPGXLKLVLMBF-MLGOLLRUSA-N 1 2 335.810 3.210 20 30 EGEDLO N#CC[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1 ZINC000599470661 460259392 /nfs/dbraw/zinc/25/93/92/460259392.db2.gz VNSPGXLKLVLMBF-MLGOLLRUSA-N 1 2 335.810 3.210 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)c(C#N)c1C ZINC000599514561 460266035 /nfs/dbraw/zinc/26/60/35/460266035.db2.gz YASXANXTWWQDEK-FOGDFJRCSA-N 1 2 339.386 3.318 20 30 EGEDLO CCc1[nH+]c(C(C)C)ccc1Cn1cc(-c2cncc(C#N)c2)nn1 ZINC000603234304 460269767 /nfs/dbraw/zinc/26/97/67/460269767.db2.gz NCIDKFLBBWVKBS-UHFFFAOYSA-N 1 2 332.411 3.341 20 30 EGEDLO N#C[C@@H]1C[N@H+](C[C@H]2CCOc3ccccc32)CCN1Cc1ccccc1 ZINC000611249335 460316596 /nfs/dbraw/zinc/31/65/96/460316596.db2.gz GNZJIFMZXUXPTB-WOJBJXKFSA-N 1 2 347.462 3.263 20 30 EGEDLO N#C[C@@H]1C[N@@H+](C[C@H]2CCOc3ccccc32)CCN1Cc1ccccc1 ZINC000611249335 460316601 /nfs/dbraw/zinc/31/66/01/460316601.db2.gz GNZJIFMZXUXPTB-WOJBJXKFSA-N 1 2 347.462 3.263 20 30 EGEDLO C=CCOc1c(Cl)cc(C[N@@H+](CC(=O)OC)C2CC2)cc1OC ZINC000600135423 460398823 /nfs/dbraw/zinc/39/88/23/460398823.db2.gz XGJAEKRLFNDRBV-UHFFFAOYSA-N 1 2 339.819 3.051 20 30 EGEDLO C=CCOc1c(Cl)cc(C[N@H+](CC(=O)OC)C2CC2)cc1OC ZINC000600135423 460398831 /nfs/dbraw/zinc/39/88/31/460398831.db2.gz XGJAEKRLFNDRBV-UHFFFAOYSA-N 1 2 339.819 3.051 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619762976 460435966 /nfs/dbraw/zinc/43/59/66/460435966.db2.gz UQQGEIVBAWHIED-UHFFFAOYSA-N 1 2 338.798 3.186 20 30 EGEDLO C=CCCn1cc(C[N@H+](CCc2ccccc2)Cc2ccncc2)nn1 ZINC000668159887 461145987 /nfs/dbraw/zinc/14/59/87/461145987.db2.gz KKAXATGQBOSSQE-UHFFFAOYSA-N 1 2 347.466 3.494 20 30 EGEDLO C=CCCn1cc(C[N@@H+](CCc2ccccc2)Cc2ccncc2)nn1 ZINC000668159887 461145996 /nfs/dbraw/zinc/14/59/96/461145996.db2.gz KKAXATGQBOSSQE-UHFFFAOYSA-N 1 2 347.466 3.494 20 30 EGEDLO C=CCCn1cc(C[NH+]2CC(c3cccc(C(F)(F)F)c3)C2)nn1 ZINC000668225609 461189930 /nfs/dbraw/zinc/18/99/30/461189930.db2.gz QZXUGJSVUYWTEN-UHFFFAOYSA-N 1 2 336.361 3.472 20 30 EGEDLO C=CCCn1cc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)nn1 ZINC000653505032 461681740 /nfs/dbraw/zinc/68/17/40/461681740.db2.gz WBESJNLOEDQEFY-IBGZPJMESA-N 1 2 326.444 3.035 20 30 EGEDLO C=CCCn1cc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)nn1 ZINC000653505032 461681747 /nfs/dbraw/zinc/68/17/47/461681747.db2.gz WBESJNLOEDQEFY-IBGZPJMESA-N 1 2 326.444 3.035 20 30 EGEDLO C=CCCn1cc(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)nn1 ZINC000653566806 461725410 /nfs/dbraw/zinc/72/54/10/461725410.db2.gz KYVRSNVBVCILHH-FQEVSTJZSA-N 1 2 340.471 3.078 20 30 EGEDLO C=CCCn1cc(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)nn1 ZINC000653566806 461725415 /nfs/dbraw/zinc/72/54/15/461725415.db2.gz KYVRSNVBVCILHH-FQEVSTJZSA-N 1 2 340.471 3.078 20 30 EGEDLO C=CC[N@H+](Cc1nn(-c2ccccc2)c2c1CCC2)[C@H](C)COC ZINC000661243154 462167895 /nfs/dbraw/zinc/16/78/95/462167895.db2.gz YXUGDUHNUCVHJA-MRXNPFEDSA-N 1 2 325.456 3.384 20 30 EGEDLO C=CC[N@@H+](Cc1nn(-c2ccccc2)c2c1CCC2)[C@H](C)COC ZINC000661243154 462167902 /nfs/dbraw/zinc/16/79/02/462167902.db2.gz YXUGDUHNUCVHJA-MRXNPFEDSA-N 1 2 325.456 3.384 20 30 EGEDLO C=CCOCC[N@@H+]1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000645094307 462176586 /nfs/dbraw/zinc/17/65/86/462176586.db2.gz HKMUHZRKUKEBMZ-UHFFFAOYSA-N 1 2 335.245 3.491 20 30 EGEDLO C=CCOCC[N@H+]1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000645094307 462176592 /nfs/dbraw/zinc/17/65/92/462176592.db2.gz HKMUHZRKUKEBMZ-UHFFFAOYSA-N 1 2 335.245 3.491 20 30 EGEDLO C=CC[C@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000661382165 462225069 /nfs/dbraw/zinc/22/50/69/462225069.db2.gz TUABDWHJPJBUDG-WFASDCNBSA-N 1 2 337.261 3.264 20 30 EGEDLO C=CC[C@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000661382165 462225071 /nfs/dbraw/zinc/22/50/71/462225071.db2.gz TUABDWHJPJBUDG-WFASDCNBSA-N 1 2 337.261 3.264 20 30 EGEDLO Cc1noc(C)c1C[NH+]1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000187212615 534354088 /nfs/dbraw/zinc/35/40/88/534354088.db2.gz IJKFEOWUSDBSGE-UHFFFAOYSA-N 1 2 344.846 3.134 20 30 EGEDLO Cc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)c1 ZINC000129058391 534589388 /nfs/dbraw/zinc/58/93/88/534589388.db2.gz FYXNKFFWYCYYQK-UHFFFAOYSA-N 1 2 339.464 3.276 20 30 EGEDLO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)c1 ZINC000129058391 534589396 /nfs/dbraw/zinc/58/93/96/534589396.db2.gz FYXNKFFWYCYYQK-UHFFFAOYSA-N 1 2 339.464 3.276 20 30 EGEDLO COc1ccccc1N1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000160463697 536296767 /nfs/dbraw/zinc/29/67/67/536296767.db2.gz BUPWJOONOGIGHK-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO Cc1noc([C@@H]2CC[N@H+](CC(=O)Nc3ccc(C)c(Cl)c3)C2)n1 ZINC000329012294 547488660 /nfs/dbraw/zinc/48/86/60/547488660.db2.gz DYQWJPGTHPKILS-GFCCVEGCSA-N 1 2 334.807 3.417 20 30 EGEDLO Cc1noc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(C)c(Cl)c3)C2)n1 ZINC000329012294 547488665 /nfs/dbraw/zinc/48/86/65/547488665.db2.gz DYQWJPGTHPKILS-GFCCVEGCSA-N 1 2 334.807 3.417 20 30 EGEDLO Cn1cc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H]2CCOc3ccccc32)cn1 ZINC000328961444 547488686 /nfs/dbraw/zinc/48/86/86/547488686.db2.gz QBTMMZQPTZBQSP-SJORKVTESA-N 1 2 340.427 3.037 20 30 EGEDLO Cn1cc([C@@H]2CCC[N@H+]2CC(=O)N[C@@H]2CCOc3ccccc32)cn1 ZINC000328961444 547488694 /nfs/dbraw/zinc/48/86/94/547488694.db2.gz QBTMMZQPTZBQSP-SJORKVTESA-N 1 2 340.427 3.037 20 30 EGEDLO CCC[C@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](OC)C[N@@H+]3C)sc2C1 ZINC000329014511 547489342 /nfs/dbraw/zinc/48/93/42/547489342.db2.gz PSTPILFJZZPACE-OBJOEFQTSA-N 1 2 337.489 3.355 20 30 EGEDLO CCC[C@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](OC)C[N@H+]3C)sc2C1 ZINC000329014511 547489347 /nfs/dbraw/zinc/48/93/47/547489347.db2.gz PSTPILFJZZPACE-OBJOEFQTSA-N 1 2 337.489 3.355 20 30 EGEDLO Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000329197111 547491787 /nfs/dbraw/zinc/49/17/87/547491787.db2.gz WBSMFPCCHOPYPL-QGZVFWFLSA-N 1 2 340.427 3.178 20 30 EGEDLO Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000329197111 547491792 /nfs/dbraw/zinc/49/17/92/547491792.db2.gz WBSMFPCCHOPYPL-QGZVFWFLSA-N 1 2 340.427 3.178 20 30 EGEDLO O=C(C[C@@H]1C=CCC1)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000329439745 547496731 /nfs/dbraw/zinc/49/67/31/547496731.db2.gz JUSUYXBEXQTUGU-CYBMUJFWSA-N 1 2 326.400 3.344 20 30 EGEDLO O=C(NC[C@@H]1CCC2(CCCCC2)O1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330106711 547512773 /nfs/dbraw/zinc/51/27/73/547512773.db2.gz LEBIIMWZPMVGCX-INIZCTEOSA-N 1 2 346.475 3.385 20 30 EGEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000370872702 547793393 /nfs/dbraw/zinc/79/33/93/547793393.db2.gz LCEXEBFVHAGQKS-LBPRGKRZSA-N 1 2 335.860 3.375 20 30 EGEDLO C=CCOc1cccc(C[NH+]2CCN(C(=O)C(CC)CC)CC2)c1 ZINC000678140272 549407911 /nfs/dbraw/zinc/40/79/11/549407911.db2.gz CFQSDGLRNNXQBM-UHFFFAOYSA-N 1 2 330.472 3.332 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000680999642 549940080 /nfs/dbraw/zinc/94/00/80/549940080.db2.gz ORVIQUIIHZUGEF-INIZCTEOSA-N 1 2 331.460 3.024 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000680999642 549940085 /nfs/dbraw/zinc/94/00/85/549940085.db2.gz ORVIQUIIHZUGEF-INIZCTEOSA-N 1 2 331.460 3.024 20 30 EGEDLO O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCn2c[nH+]cc2C1 ZINC000685620999 550433323 /nfs/dbraw/zinc/43/33/23/550433323.db2.gz GVFMPCMQNHTLSY-UHFFFAOYSA-N 1 2 348.431 3.392 20 30 EGEDLO N#Cc1ccc(NC(=S)NCCNc2cccc[nH+]2)cc1Cl ZINC000726442760 574555355 /nfs/dbraw/zinc/55/53/55/574555355.db2.gz HQJXTNTXJFTFFB-UHFFFAOYSA-N 1 2 331.832 3.005 20 30 EGEDLO C=CCn1nnn(C[N@H+]2CCCC[C@H]2c2ccccc2OC)c1=S ZINC000729985721 574901292 /nfs/dbraw/zinc/90/12/92/574901292.db2.gz POWOGQOAHHJCJG-HNNXBMFYSA-N 1 2 345.472 3.188 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2CCCC[C@H]2c2ccccc2OC)c1=S ZINC000729985721 574901295 /nfs/dbraw/zinc/90/12/95/574901295.db2.gz POWOGQOAHHJCJG-HNNXBMFYSA-N 1 2 345.472 3.188 20 30 EGEDLO CC(=[NH+]Nc1ccnc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000730147444 574925202 /nfs/dbraw/zinc/92/52/02/574925202.db2.gz OCNNQHGIDYNTSV-UHFFFAOYSA-N 1 2 346.434 3.329 20 30 EGEDLO COc1cc(C=NNc2cc[nH+]c3ccccc23)ccc1OCC#N ZINC000730147626 574925338 /nfs/dbraw/zinc/92/53/38/574925338.db2.gz GXOJIVQVHSIVNX-UHFFFAOYSA-N 1 2 332.363 3.014 20 30 EGEDLO CC(=[NH+]NC(=S)NCc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000730565784 575001360 /nfs/dbraw/zinc/00/13/60/575001360.db2.gz YJURKGMFLQAGCQ-UHFFFAOYSA-N 1 2 344.459 3.280 20 30 EGEDLO C#CCOc1cccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000731108854 575054784 /nfs/dbraw/zinc/05/47/84/575054784.db2.gz GQWDOOLKSUTWQV-UHFFFAOYSA-N 1 2 346.390 3.206 20 30 EGEDLO COC(=O)c1ccc2[nH]cc(C=NNc3cc[nH+]c4ccccc34)c2c1 ZINC000731927712 575220658 /nfs/dbraw/zinc/22/06/58/575220658.db2.gz PFZLIGWYZXYMBE-UHFFFAOYSA-N 1 2 344.374 3.371 20 30 EGEDLO CC(=[NH+]Nc1cnnc2ccccc21)c1cccc(N2CCOCC2)c1 ZINC000733748355 575388207 /nfs/dbraw/zinc/38/82/07/575388207.db2.gz SJVDTWBRROTHBD-UHFFFAOYSA-N 1 2 347.422 3.303 20 30 EGEDLO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](CO)c2c(F)cccc2F)cc1 ZINC000734847643 575560167 /nfs/dbraw/zinc/56/01/67/575560167.db2.gz RZEMLKXJGSVLBW-SJKOYZFVSA-N 1 2 332.350 3.079 20 30 EGEDLO Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+](CCC#N)CC(C)C)c1 ZINC000739914626 576518721 /nfs/dbraw/zinc/51/87/21/576518721.db2.gz MEMILRRYWAUYQN-UHFFFAOYSA-N 1 2 345.487 3.012 20 30 EGEDLO Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+](CCC#N)CC(C)C)c1 ZINC000739914626 576518724 /nfs/dbraw/zinc/51/87/24/576518724.db2.gz MEMILRRYWAUYQN-UHFFFAOYSA-N 1 2 345.487 3.012 20 30 EGEDLO CC[N@H+](C)[C@@H](C(=O)OCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000741150922 576661320 /nfs/dbraw/zinc/66/13/20/576661320.db2.gz PUPNRKHIGDCNIB-LJQANCHMSA-N 1 2 338.407 3.173 20 30 EGEDLO CC[N@@H+](C)[C@@H](C(=O)OCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000741150922 576661321 /nfs/dbraw/zinc/66/13/21/576661321.db2.gz PUPNRKHIGDCNIB-LJQANCHMSA-N 1 2 338.407 3.173 20 30 EGEDLO C=CCNC(=S)N1CC[NH+]([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000741870995 576729575 /nfs/dbraw/zinc/72/95/75/576729575.db2.gz UTFSTICZOOKFJR-MRXNPFEDSA-N 1 2 339.455 3.094 20 30 EGEDLO C#CC[NH+]1CCN(C(=O)C[C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000742073928 576746552 /nfs/dbraw/zinc/74/65/52/576746552.db2.gz DGYRXQDHYNTIKR-JOCHJYFZSA-N 1 2 346.474 3.180 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2C[C@H](C)C[C@H]2c2cccc(F)c2)c1=S ZINC000742173557 576755194 /nfs/dbraw/zinc/75/51/94/576755194.db2.gz RBQNFCPAFTYIBG-DOMZBBRYSA-N 1 2 333.436 3.175 20 30 EGEDLO C=CCn1nnn(C[N@H+]2C[C@H](C)C[C@H]2c2cccc(F)c2)c1=S ZINC000742173557 576755196 /nfs/dbraw/zinc/75/51/96/576755196.db2.gz RBQNFCPAFTYIBG-DOMZBBRYSA-N 1 2 333.436 3.175 20 30 EGEDLO NC(=[NH+]OCC(=O)Nc1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000029464230 1291330253 /nfs/dbraw/zinc/33/02/53/1291330253.db2.gz KPMGZRWOGMFLTO-UHFFFAOYSA-N 1 2 337.354 3.255 20 30 EGEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH+]1Cc2ccccc2C1 ZINC000155515772 1294102724 /nfs/dbraw/zinc/10/27/24/1294102724.db2.gz KJHGNXGASSVQMM-QGZVFWFLSA-N 1 2 340.386 3.239 20 30 EGEDLO COc1cccc([C@@H]2CN(C(=O)CC3(C#N)CCCCC3)CC[NH2+]2)c1 ZINC000870154209 1295707908 /nfs/dbraw/zinc/70/79/08/1295707908.db2.gz GZMDQQDHOQZZCH-SFHVURJKSA-N 1 2 341.455 3.032 20 30 EGEDLO Oc1ccc(/C=[NH+]/CCCCOCCc2ccccc2)c(O)c1O ZINC000193676924 1295899958 /nfs/dbraw/zinc/89/99/58/1295899958.db2.gz GSLUJLYINXDLGJ-XSFVSMFZSA-N 1 2 329.396 3.262 20 30 EGEDLO CC(C)(CCC#N)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000195058777 1296032441 /nfs/dbraw/zinc/03/24/41/1296032441.db2.gz PQIABEUCHUJUGF-UHFFFAOYSA-N 1 2 342.355 3.267 20 30 EGEDLO Cc1cccn2c(/C=C\C(=O)c3ccc(N4CCOCC4)cc3)c[nH+]c12 ZINC000255355080 1296522339 /nfs/dbraw/zinc/52/23/39/1296522339.db2.gz YMZDSSSGZSRXPT-HJWRWDBZSA-N 1 2 347.418 3.375 20 30 EGEDLO COc1cccc(/C=[NH+]\CC2CCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000255344224 1296522558 /nfs/dbraw/zinc/52/25/58/1296522558.db2.gz RIENYLVQLOPEII-MOSHPQCFSA-N 1 2 348.443 3.467 20 30 EGEDLO COc1cccc(/C=N\Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1O ZINC000255766923 1296567200 /nfs/dbraw/zinc/56/72/00/1296567200.db2.gz DIAHMVYTGLHRGB-NHDPSOOVSA-N 1 2 325.343 3.345 20 30 EGEDLO N#CCC[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000345328446 1297337164 /nfs/dbraw/zinc/33/71/64/1297337164.db2.gz WUWFKQIQGHCKRB-UHFFFAOYSA-N 1 2 346.228 3.426 20 30 EGEDLO C=CCn1nnn(C[N@H+](C2CC2)[C@@H]2CCCc3ccccc32)c1=S ZINC000725771106 1298357245 /nfs/dbraw/zinc/35/72/45/1298357245.db2.gz HIKSKTHCJCOIRF-QGZVFWFLSA-N 1 2 341.484 3.495 20 30 EGEDLO C=CCn1nnn(C[N@@H+](C2CC2)[C@@H]2CCCc3ccccc32)c1=S ZINC000725771106 1298357257 /nfs/dbraw/zinc/35/72/57/1298357257.db2.gz HIKSKTHCJCOIRF-QGZVFWFLSA-N 1 2 341.484 3.495 20 30 EGEDLO Fc1cc(N[NH+]=Cc2ccc(N3CCOCC3)s2)cc(F)c1F ZINC000747642342 1298815356 /nfs/dbraw/zinc/81/53/56/1298815356.db2.gz MUAPVOSSWGKENQ-UHFFFAOYSA-N 1 2 341.358 3.448 20 30 EGEDLO N#Cc1ccc(CCC(=O)OCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000748500788 1299025553 /nfs/dbraw/zinc/02/55/53/1299025553.db2.gz TVDGSKCTFKRCCG-UHFFFAOYSA-N 1 2 331.375 3.420 20 30 EGEDLO Cc1nn(C(C)C)cc1C[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000877747080 1299525573 /nfs/dbraw/zinc/52/55/73/1299525573.db2.gz VCHNMGLSUYIFMY-UHFFFAOYSA-N 1 2 341.434 3.105 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+]2C[C@H](C)[C@H](C)C2)c1=S ZINC000751926506 1299655363 /nfs/dbraw/zinc/65/53/63/1299655363.db2.gz UANUBNJBWURYAD-OKILXGFUSA-N 1 2 329.473 3.207 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1=S ZINC000751926506 1299655369 /nfs/dbraw/zinc/65/53/69/1299655369.db2.gz UANUBNJBWURYAD-OKILXGFUSA-N 1 2 329.473 3.207 20 30 EGEDLO CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)c1ccc(C=NOC)cc1 ZINC000752959609 1299833276 /nfs/dbraw/zinc/83/32/76/1299833276.db2.gz NIFAAISTRKVSEQ-KRWDZBQOSA-N 1 2 340.427 3.251 20 30 EGEDLO C#C[C@@](C)(CC)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000878301155 1299902991 /nfs/dbraw/zinc/90/29/91/1299902991.db2.gz LBCPUWPKBMKXEP-YRNRMSPPSA-N 1 2 343.471 3.219 20 30 EGEDLO C#C[C@@](C)(CC)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000878301155 1299902998 /nfs/dbraw/zinc/90/29/98/1299902998.db2.gz LBCPUWPKBMKXEP-YRNRMSPPSA-N 1 2 343.471 3.219 20 30 EGEDLO C#CCC[N@@H+](CCOC)Cc1nnc(-c2cccc3ccccc32)o1 ZINC000878998272 1300309440 /nfs/dbraw/zinc/30/94/40/1300309440.db2.gz MZEBGQHKZKESEU-UHFFFAOYSA-N 1 2 335.407 3.362 20 30 EGEDLO C#CCC[N@H+](CCOC)Cc1nnc(-c2cccc3ccccc32)o1 ZINC000878998272 1300309454 /nfs/dbraw/zinc/30/94/54/1300309454.db2.gz MZEBGQHKZKESEU-UHFFFAOYSA-N 1 2 335.407 3.362 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cccc(C#N)c1F ZINC000879226244 1300436953 /nfs/dbraw/zinc/43/69/53/1300436953.db2.gz LVYUMLZWOJWJDJ-DOMZBBRYSA-N 1 2 333.407 3.185 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cccc(C#N)c1F ZINC000879226244 1300436959 /nfs/dbraw/zinc/43/69/59/1300436959.db2.gz LVYUMLZWOJWJDJ-DOMZBBRYSA-N 1 2 333.407 3.185 20 30 EGEDLO C[NH+](C)c1ccc(N2CCC(N=Nc3ccncc3Cl)CC2)cc1 ZINC000756841889 1300574907 /nfs/dbraw/zinc/57/49/07/1300574907.db2.gz BWJQHBCAPLAMKZ-UHFFFAOYSA-N 1 2 343.862 3.291 20 30 EGEDLO Brc1cncc(N=NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000758122122 1300791350 /nfs/dbraw/zinc/79/13/50/1300791350.db2.gz FCDMSQRMWWMFTN-UHFFFAOYSA-N 1 2 346.232 3.307 20 30 EGEDLO Cc1ccn(C[NH+]2CCC(c3cccc(F)c3)CC2)c(=O)c1C#N ZINC000758229287 1300822320 /nfs/dbraw/zinc/82/23/20/1300822320.db2.gz FFYNMUIDPJULSY-UHFFFAOYSA-N 1 2 325.387 3.005 20 30 EGEDLO C[C@H](C#N)Oc1ccc(C[N@H+](C)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000768159216 1302840227 /nfs/dbraw/zinc/84/02/27/1302840227.db2.gz DRSMBJSZLNLPSU-CQSZACIVSA-N 1 2 348.406 3.258 20 30 EGEDLO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000768159216 1302840239 /nfs/dbraw/zinc/84/02/39/1302840239.db2.gz DRSMBJSZLNLPSU-CQSZACIVSA-N 1 2 348.406 3.258 20 30 EGEDLO COc1ccc(C(N)=[NH+]OCc2cccc(OC(C)(C)C)n2)cc1 ZINC000768300933 1302876999 /nfs/dbraw/zinc/87/69/99/1302876999.db2.gz UCOJWBKHXFTHFT-UHFFFAOYSA-N 1 2 329.400 3.105 20 30 EGEDLO C#C[C@@H](Cc1ccccc1)OC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000773837730 1303743602 /nfs/dbraw/zinc/74/36/02/1303743602.db2.gz VYFKHYRSVPXCBD-UTKZUKDTSA-N 1 2 333.431 3.221 20 30 EGEDLO C#C[C@@H](Cc1ccccc1)OC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000773837730 1303743605 /nfs/dbraw/zinc/74/36/05/1303743605.db2.gz VYFKHYRSVPXCBD-UTKZUKDTSA-N 1 2 333.431 3.221 20 30 EGEDLO C#C[C@H]([NH2+][C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1)[C@@H]1CCCO1 ZINC000775801991 1304041004 /nfs/dbraw/zinc/04/10/04/1304041004.db2.gz XVKGJMPATPJXDF-PCCBWWKXSA-N 1 2 348.446 3.445 20 30 EGEDLO COCC1=CC[N@H+](CC(=O)/C=C2\N(C)c3ccccc3C2(C)C)CC1 ZINC000775829535 1304045017 /nfs/dbraw/zinc/04/50/17/1304045017.db2.gz KYPTZURUWMXFPV-MOSHPQCFSA-N 1 2 340.467 3.146 20 30 EGEDLO COCC1=CC[N@@H+](CC(=O)/C=C2\N(C)c3ccccc3C2(C)C)CC1 ZINC000775829535 1304045021 /nfs/dbraw/zinc/04/50/21/1304045021.db2.gz KYPTZURUWMXFPV-MOSHPQCFSA-N 1 2 340.467 3.146 20 30 EGEDLO C[C@H](COc1cccc(C#N)c1)OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000776087772 1304093658 /nfs/dbraw/zinc/09/36/58/1304093658.db2.gz ANERBHSSLYPMEU-OAHLLOKOSA-N 1 2 347.374 3.368 20 30 EGEDLO C#CCOc1ccccc1NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000776095346 1304096022 /nfs/dbraw/zinc/09/60/22/1304096022.db2.gz RPKJVVYKVPDIPN-UHFFFAOYSA-N 1 2 339.395 3.041 20 30 EGEDLO C[C@H]1[C@H](C)[N@H+](Cc2cccc(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC000776606579 1304178989 /nfs/dbraw/zinc/17/89/89/1304178989.db2.gz LVJHWNASVCCBOF-GJZGRUSLSA-N 1 2 329.444 3.388 20 30 EGEDLO C[C@H]1[C@H](C)[N@@H+](Cc2cccc(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC000776606579 1304178993 /nfs/dbraw/zinc/17/89/93/1304178993.db2.gz LVJHWNASVCCBOF-GJZGRUSLSA-N 1 2 329.444 3.388 20 30 EGEDLO CC(=NNC1=[NH+]C[C@H](C)N1)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000779794775 1304606256 /nfs/dbraw/zinc/60/62/56/1304606256.db2.gz NELIWBJIRUMIEL-VIFPVBQESA-N 1 2 347.875 3.433 20 30 EGEDLO CC1(C)C[C@H](N[NH+]=Cc2sc(N3CCCC3)nc2Cl)CCO1 ZINC000780252424 1304665573 /nfs/dbraw/zinc/66/55/73/1304665573.db2.gz IGLJXNVTFJTAQJ-LLVKDONJSA-N 1 2 342.896 3.278 20 30 EGEDLO Cc1cccc2[nH+]cc(C=CC(=O)c3ccc(N4CCNC4=O)cc3)n21 ZINC000782367182 1304963017 /nfs/dbraw/zinc/96/30/17/1304963017.db2.gz WSLPXVPQJOVKOK-KTKRTIGZSA-N 1 2 346.390 3.068 20 30 EGEDLO NC(=[NH+]OCCOc1ccccc1)c1ccc(Br)cc1 ZINC000782948511 1305027288 /nfs/dbraw/zinc/02/72/88/1305027288.db2.gz JQTWPYMQKUWSPU-UHFFFAOYSA-N 1 2 335.201 3.165 20 30 EGEDLO Cc1nc(CO[NH+]=C(N)c2ccc(Br)cc2)cs1 ZINC000782949251 1305027559 /nfs/dbraw/zinc/02/75/59/1305027559.db2.gz FGJSEQPAQCSADV-UHFFFAOYSA-N 1 2 326.219 3.051 20 30 EGEDLO N#Cc1ccc(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)nc1 ZINC000788239168 1305904211 /nfs/dbraw/zinc/90/42/11/1305904211.db2.gz FNFYAYUXPDZYPT-HNNXBMFYSA-N 1 2 349.438 3.011 20 30 EGEDLO N#Cc1ccc(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)nc1 ZINC000788239168 1305904215 /nfs/dbraw/zinc/90/42/15/1305904215.db2.gz FNFYAYUXPDZYPT-HNNXBMFYSA-N 1 2 349.438 3.011 20 30 EGEDLO CCN(C)c1ccc(C=[NH+]Nc2ccnc(Br)c2)cn1 ZINC000790177027 1306272031 /nfs/dbraw/zinc/27/20/31/1306272031.db2.gz XYAIAJHJAXWDQF-UHFFFAOYSA-N 1 2 334.221 3.141 20 30 EGEDLO C#CC[N@@H+](C)CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000792305870 1309158526 /nfs/dbraw/zinc/15/85/26/1309158526.db2.gz LGQCZHMMGKNGKB-UHFFFAOYSA-N 1 2 344.418 3.043 20 30 EGEDLO C#CC[N@H+](C)CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000792305870 1309158530 /nfs/dbraw/zinc/15/85/30/1309158530.db2.gz LGQCZHMMGKNGKB-UHFFFAOYSA-N 1 2 344.418 3.043 20 30 EGEDLO C#CCCOc1ccc(C[N@@H+](CCO)Cc2cccnc2Cl)cc1 ZINC000793364020 1309354180 /nfs/dbraw/zinc/35/41/80/1309354180.db2.gz KBBDAAVTNYTAMS-UHFFFAOYSA-N 1 2 344.842 3.132 20 30 EGEDLO C#CCCOc1ccc(C[N@H+](CCO)Cc2cccnc2Cl)cc1 ZINC000793364020 1309354184 /nfs/dbraw/zinc/35/41/84/1309354184.db2.gz KBBDAAVTNYTAMS-UHFFFAOYSA-N 1 2 344.842 3.132 20 30 EGEDLO Cc1ccc([C@H]2CCC[N@H+]2Cn2nc(CC#N)n(C)c2=S)cc1 ZINC000794616042 1309555279 /nfs/dbraw/zinc/55/52/79/1309555279.db2.gz DINFZMVHOHXRKY-OAHLLOKOSA-N 1 2 327.457 3.120 20 30 EGEDLO Cc1ccc([C@H]2CCC[N@@H+]2Cn2nc(CC#N)n(C)c2=S)cc1 ZINC000794616042 1309555281 /nfs/dbraw/zinc/55/52/81/1309555281.db2.gz DINFZMVHOHXRKY-OAHLLOKOSA-N 1 2 327.457 3.120 20 30 EGEDLO Cc1ccc(C(C)(C)C[N@@H+](C)Cn2nc(CC#N)n(C)c2=S)cc1 ZINC000794634030 1309560392 /nfs/dbraw/zinc/56/03/92/1309560392.db2.gz QRPLGOGMXKBUNJ-UHFFFAOYSA-N 1 2 343.500 3.193 20 30 EGEDLO Cc1ccc(C(C)(C)C[N@H+](C)Cn2nc(CC#N)n(C)c2=S)cc1 ZINC000794634030 1309560395 /nfs/dbraw/zinc/56/03/95/1309560395.db2.gz QRPLGOGMXKBUNJ-UHFFFAOYSA-N 1 2 343.500 3.193 20 30 EGEDLO CCC[N@H+](CCc1cccc(F)c1)Cn1nc(CC#N)n(C)c1=S ZINC000794628470 1309560519 /nfs/dbraw/zinc/56/05/19/1309560519.db2.gz MDNGWBSFZTUUCZ-UHFFFAOYSA-N 1 2 347.463 3.068 20 30 EGEDLO CCC[N@@H+](CCc1cccc(F)c1)Cn1nc(CC#N)n(C)c1=S ZINC000794628470 1309560530 /nfs/dbraw/zinc/56/05/30/1309560530.db2.gz MDNGWBSFZTUUCZ-UHFFFAOYSA-N 1 2 347.463 3.068 20 30 EGEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1Cc2c(cccc2Cl)C1=O ZINC000795408332 1309745148 /nfs/dbraw/zinc/74/51/48/1309745148.db2.gz IHATUQICGQTPOI-UHFFFAOYSA-N 1 2 325.799 3.257 20 30 EGEDLO C[N@H+](Cc1cccc(C#N)c1)CN1Cc2c(cccc2Cl)C1=O ZINC000795408332 1309745153 /nfs/dbraw/zinc/74/51/53/1309745153.db2.gz IHATUQICGQTPOI-UHFFFAOYSA-N 1 2 325.799 3.257 20 30 EGEDLO C#Cc1ccc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)cc1 ZINC000896493044 1309880592 /nfs/dbraw/zinc/88/05/92/1309880592.db2.gz CGZWZOKSVRXYKS-UHFFFAOYSA-N 1 2 334.419 3.061 20 30 EGEDLO C=C[C@](C)(CCOC)c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000896822571 1310035138 /nfs/dbraw/zinc/03/51/38/1310035138.db2.gz DLYUPMUIIHYQDH-LJQANCHMSA-N 1 2 338.411 3.326 20 30 EGEDLO C#CC[N@@H+](CC(=O)NC(=O)Nc1ccc(C)cc1C)Cc1ccccc1 ZINC000796640219 1310053366 /nfs/dbraw/zinc/05/33/66/1310053366.db2.gz IEXUOTMZNBDFOS-UHFFFAOYSA-N 1 2 349.434 3.087 20 30 EGEDLO C#CC[N@H+](CC(=O)NC(=O)Nc1ccc(C)cc1C)Cc1ccccc1 ZINC000796640219 1310053376 /nfs/dbraw/zinc/05/33/76/1310053376.db2.gz IEXUOTMZNBDFOS-UHFFFAOYSA-N 1 2 349.434 3.087 20 30 EGEDLO C#CC[N@@H+](CC(=O)N(C)Cc1ccc(Cl)s1)Cc1ccccc1 ZINC000796640916 1310053981 /nfs/dbraw/zinc/05/39/81/1310053981.db2.gz LATRUTIIVSWVDR-UHFFFAOYSA-N 1 2 346.883 3.495 20 30 EGEDLO C#CC[N@H+](CC(=O)N(C)Cc1ccc(Cl)s1)Cc1ccccc1 ZINC000796640916 1310053987 /nfs/dbraw/zinc/05/39/87/1310053987.db2.gz LATRUTIIVSWVDR-UHFFFAOYSA-N 1 2 346.883 3.495 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CC[C@@H]4C[C@@H]4CC3)CC2)cc1 ZINC000929361996 1328579900 /nfs/dbraw/zinc/57/99/00/1328579900.db2.gz BAYJCZNLRRATON-ACDBMABISA-N 1 2 337.467 3.029 20 30 EGEDLO C=C1C[NH+](C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000899899712 1317198649 /nfs/dbraw/zinc/19/86/49/1317198649.db2.gz ANBGVCLTJNEREG-LJQANCHMSA-N 1 2 345.389 3.304 20 30 EGEDLO Cc1cc([N+](=O)[O-])ccc1N[NH+]=Cc1ccccc1N1CCOCC1 ZINC000807991247 1317609127 /nfs/dbraw/zinc/60/91/27/1317609127.db2.gz UJTZZYWNZLZWPM-UHFFFAOYSA-N 1 2 340.383 3.186 20 30 EGEDLO C#Cc1ccccc1CC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000811084636 1318104148 /nfs/dbraw/zinc/10/41/48/1318104148.db2.gz SBMRNACJJVTXCQ-MRXNPFEDSA-N 1 2 338.476 3.177 20 30 EGEDLO N#Cc1ccc(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)o1 ZINC000907816144 1318265107 /nfs/dbraw/zinc/26/51/07/1318265107.db2.gz QYIBULQSDUOSFJ-ZDUSSCGKSA-N 1 2 338.411 3.209 20 30 EGEDLO N#Cc1ccc(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)o1 ZINC000907816144 1318265116 /nfs/dbraw/zinc/26/51/16/1318265116.db2.gz QYIBULQSDUOSFJ-ZDUSSCGKSA-N 1 2 338.411 3.209 20 30 EGEDLO CC[C@@](C)(C#N)C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907816795 1318268462 /nfs/dbraw/zinc/26/84/62/1318268462.db2.gz XUSIVQUMWCZKGL-LIRRHRJNSA-N 1 2 328.460 3.371 20 30 EGEDLO CC[C@@](C)(C#N)C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907816795 1318268467 /nfs/dbraw/zinc/26/84/67/1318268467.db2.gz XUSIVQUMWCZKGL-LIRRHRJNSA-N 1 2 328.460 3.371 20 30 EGEDLO C[C@H](C#N)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1c(F)cccc1Cl ZINC000960498398 1318609759 /nfs/dbraw/zinc/60/97/59/1318609759.db2.gz CRYMHZOZPTZJPI-OLZOCXBDSA-N 1 2 337.826 3.062 20 30 EGEDLO C[C@H](C#N)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1c(F)cccc1Cl ZINC000960498398 1318609769 /nfs/dbraw/zinc/60/97/69/1318609769.db2.gz CRYMHZOZPTZJPI-OLZOCXBDSA-N 1 2 337.826 3.062 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)CC1(C)CC1 ZINC000960748177 1318852351 /nfs/dbraw/zinc/85/23/51/1318852351.db2.gz LYDKJRGSRJELCL-SFHVURJKSA-N 1 2 343.446 3.310 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)CC1(C)CC1 ZINC000960748177 1318852359 /nfs/dbraw/zinc/85/23/59/1318852359.db2.gz LYDKJRGSRJELCL-SFHVURJKSA-N 1 2 343.446 3.310 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nc(C)cs1 ZINC000960788284 1318890546 /nfs/dbraw/zinc/89/05/46/1318890546.db2.gz QPNWCSXOAKVSJB-OAHLLOKOSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nc(C)cs1 ZINC000960788284 1318890555 /nfs/dbraw/zinc/89/05/55/1318890555.db2.gz QPNWCSXOAKVSJB-OAHLLOKOSA-N 1 2 335.517 3.477 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nc(C)sc1C ZINC000960791200 1318894940 /nfs/dbraw/zinc/89/49/40/1318894940.db2.gz PGDGUFSQRNXWTI-OAHLLOKOSA-N 1 2 335.517 3.395 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nc(C)sc1C ZINC000960791200 1318894950 /nfs/dbraw/zinc/89/49/50/1318894950.db2.gz PGDGUFSQRNXWTI-OAHLLOKOSA-N 1 2 335.517 3.395 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)[C@H](C)c2nc(C)no2)CC1 ZINC000960834721 1318965538 /nfs/dbraw/zinc/96/55/38/1318965538.db2.gz VZVQQCBWOBROEN-RHSMWYFYSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)[C@H](C)c2nc(C)no2)CC1 ZINC000960834721 1318965554 /nfs/dbraw/zinc/96/55/54/1318965554.db2.gz VZVQQCBWOBROEN-RHSMWYFYSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)[C@@H](C)c2ncccn2)CC1 ZINC000960835644 1318966220 /nfs/dbraw/zinc/96/62/20/1318966220.db2.gz ZFFFPGSJLMHPGA-WMZOPIPTSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)[C@@H](C)c2ncccn2)CC1 ZINC000960835644 1318966226 /nfs/dbraw/zinc/96/62/26/1318966226.db2.gz ZFFFPGSJLMHPGA-WMZOPIPTSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2nccn2CC)CC1 ZINC000960840684 1318975866 /nfs/dbraw/zinc/97/58/66/1318975866.db2.gz YPCSYDJBZPTLCZ-GOSISDBHSA-N 1 2 344.503 3.072 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2nccn2CC)CC1 ZINC000960840684 1318975876 /nfs/dbraw/zinc/97/58/76/1318975876.db2.gz YPCSYDJBZPTLCZ-GOSISDBHSA-N 1 2 344.503 3.072 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC000960854751 1318997522 /nfs/dbraw/zinc/99/75/22/1318997522.db2.gz VIFQACIGEOILHQ-GOSISDBHSA-N 1 2 344.503 3.243 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC000960854751 1318997527 /nfs/dbraw/zinc/99/75/27/1318997527.db2.gz VIFQACIGEOILHQ-GOSISDBHSA-N 1 2 344.503 3.243 20 30 EGEDLO C[C@H]1CCC[C@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C1 ZINC000914728549 1319370215 /nfs/dbraw/zinc/37/02/15/1319370215.db2.gz BCMXTDDSGZGJTF-KBPBESRZSA-N 1 2 338.455 3.225 20 30 EGEDLO Cc1nc(-c2ccccc2)[nH]c1C(=O)C=Cc1c[nH+]c(N(C)C)n1C ZINC000821040565 1319995901 /nfs/dbraw/zinc/99/59/01/1319995901.db2.gz ZNIHVDDENQGPOU-ZHACJKMWSA-N 1 2 335.411 3.081 20 30 EGEDLO C[N@H+](Cc1c[nH]c(C(=O)OCc2ccccc2)c1)CC(C)(C)C#N ZINC000824433250 1320257953 /nfs/dbraw/zinc/25/79/53/1320257953.db2.gz ISWIMWSTXZADNT-UHFFFAOYSA-N 1 2 325.412 3.353 20 30 EGEDLO C[N@@H+](Cc1c[nH]c(C(=O)OCc2ccccc2)c1)CC(C)(C)C#N ZINC000824433250 1320257958 /nfs/dbraw/zinc/25/79/58/1320257958.db2.gz ISWIMWSTXZADNT-UHFFFAOYSA-N 1 2 325.412 3.353 20 30 EGEDLO O=C(C#CC1CC1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000837342129 1320600019 /nfs/dbraw/zinc/60/00/19/1320600019.db2.gz PMEDPKZNEVSBDF-MRXNPFEDSA-N 1 2 334.822 3.146 20 30 EGEDLO C#CC1CC[NH+](Cn2c3c(sc2=O)C[C@@H](C(C)(C)C)CC3)CC1 ZINC000842634118 1321410308 /nfs/dbraw/zinc/41/03/08/1321410308.db2.gz OTWVTNCRNHLYEN-HNNXBMFYSA-N 1 2 332.513 3.364 20 30 EGEDLO C[C@H](CC(=O)OCC#Cc1ccc(C(F)(F)F)cc1)n1cc[nH+]c1 ZINC000845281451 1321693016 /nfs/dbraw/zinc/69/30/16/1321693016.db2.gz HTCOOSIMLFSQRQ-CYBMUJFWSA-N 1 2 336.313 3.448 20 30 EGEDLO CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000859480568 1328997697 /nfs/dbraw/zinc/99/76/97/1328997697.db2.gz JTNPNUIVVSAJHL-KRWDZBQOSA-N 1 2 344.459 3.031 20 30 EGEDLO CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000859480568 1328997701 /nfs/dbraw/zinc/99/77/01/1328997701.db2.gz JTNPNUIVVSAJHL-KRWDZBQOSA-N 1 2 344.459 3.031 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 ZINC000849180580 1322094376 /nfs/dbraw/zinc/09/43/76/1322094376.db2.gz QUWZPICYOHEZDN-KXBFYZLASA-N 1 2 347.418 3.097 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 ZINC000849180580 1322094379 /nfs/dbraw/zinc/09/43/79/1322094379.db2.gz QUWZPICYOHEZDN-KXBFYZLASA-N 1 2 347.418 3.097 20 30 EGEDLO C#CC[C@H](NC(=O)N1CCC(Nc2cccc[nH+]2)CC1)c1ccccc1 ZINC000921665900 1322374497 /nfs/dbraw/zinc/37/44/97/1322374497.db2.gz KPBNOXUTDZAETD-IBGZPJMESA-N 1 2 348.450 3.432 20 30 EGEDLO CC[N@H+](CC1CCN(C(=O)OCc2ccccc2)CC1)[C@@H](C)C#N ZINC000852647048 1323222170 /nfs/dbraw/zinc/22/21/70/1323222170.db2.gz WKZPVRBEXQHFLJ-INIZCTEOSA-N 1 2 329.444 3.269 20 30 EGEDLO CC[N@@H+](CC1CCN(C(=O)OCc2ccccc2)CC1)[C@@H](C)C#N ZINC000852647048 1323222179 /nfs/dbraw/zinc/22/21/79/1323222179.db2.gz WKZPVRBEXQHFLJ-INIZCTEOSA-N 1 2 329.444 3.269 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(=O)C1CCCC1 ZINC001024298461 1323277402 /nfs/dbraw/zinc/27/74/02/1323277402.db2.gz AHDITCUELBXPSA-AWEZNQCLSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H]1CNC(=O)C1CCCC1 ZINC001024298461 1323277412 /nfs/dbraw/zinc/27/74/12/1323277412.db2.gz AHDITCUELBXPSA-AWEZNQCLSA-N 1 2 329.282 3.056 20 30 EGEDLO C=CCCc1ccccc1NC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000931289099 1329086948 /nfs/dbraw/zinc/08/69/48/1329086948.db2.gz XOOITYWRPBFAAX-QGZVFWFLSA-N 1 2 331.460 3.038 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1OCCc2ccccc21 ZINC001024593065 1323524355 /nfs/dbraw/zinc/52/43/55/1323524355.db2.gz ZSWMQUKHQHKACI-FUHWJXTLSA-N 1 2 348.874 3.024 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1OCCc2ccccc21 ZINC001024593065 1323524361 /nfs/dbraw/zinc/52/43/61/1323524361.db2.gz ZSWMQUKHQHKACI-FUHWJXTLSA-N 1 2 348.874 3.024 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCCC[N@H+]2Cc2coc(C)n2)CC1 ZINC001024634779 1323560258 /nfs/dbraw/zinc/56/02/58/1323560258.db2.gz YLVYIIXXVOHYQU-GOSISDBHSA-N 1 2 331.460 3.200 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2coc(C)n2)CC1 ZINC001024634779 1323560263 /nfs/dbraw/zinc/56/02/63/1323560263.db2.gz YLVYIIXXVOHYQU-GOSISDBHSA-N 1 2 331.460 3.200 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001024683932 1323598849 /nfs/dbraw/zinc/59/88/49/1323598849.db2.gz QZXGJZFEZSFLPI-UONOGXRCSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001024683932 1323598852 /nfs/dbraw/zinc/59/88/52/1323598852.db2.gz QZXGJZFEZSFLPI-UONOGXRCSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nnc(C(C)C)o1 ZINC001025069581 1323871018 /nfs/dbraw/zinc/87/10/18/1323871018.db2.gz LVEXCSAZNIXJGE-BEFAXECRSA-N 1 2 348.491 3.266 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccns1 ZINC001025239127 1324031646 /nfs/dbraw/zinc/03/16/46/1324031646.db2.gz ZXPUPFMNMXJTEG-ZIAGYGMSSA-N 1 2 339.892 3.355 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccns1 ZINC001025239127 1324031649 /nfs/dbraw/zinc/03/16/49/1324031649.db2.gz ZXPUPFMNMXJTEG-ZIAGYGMSSA-N 1 2 339.892 3.355 20 30 EGEDLO COc1ccc(CNc2nc(C)[nH+]c(C)c2Br)cc1C#N ZINC000853455279 1325095854 /nfs/dbraw/zinc/09/58/54/1325095854.db2.gz VOGHFMSUTKNFJP-UHFFFAOYSA-N 1 2 347.216 3.348 20 30 EGEDLO C=CC[C@@H]1CCC[N@@H+](Cn2ncn(-c3ccc(OC)nc3)c2=S)C1 ZINC000853537281 1325119393 /nfs/dbraw/zinc/11/93/93/1325119393.db2.gz UAKAAQZYTGNTMA-CQSZACIVSA-N 1 2 345.472 3.052 20 30 EGEDLO C=CC[C@@H]1CCC[N@H+](Cn2ncn(-c3ccc(OC)nc3)c2=S)C1 ZINC000853537281 1325119402 /nfs/dbraw/zinc/11/94/02/1325119402.db2.gz UAKAAQZYTGNTMA-CQSZACIVSA-N 1 2 345.472 3.052 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(C[S@](C)=O)cc1 ZINC000853621371 1325134165 /nfs/dbraw/zinc/13/41/65/1325134165.db2.gz BGLFXOXBDPIMQF-DEOSSOPVSA-N 1 2 342.464 3.364 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)C2(C)CC=CC2)C1 ZINC001027557717 1327866594 /nfs/dbraw/zinc/86/65/94/1327866594.db2.gz QHDQQVJHTWIULC-AWEZNQCLSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)C2(C)CC=CC2)C1 ZINC001027557717 1327866602 /nfs/dbraw/zinc/86/66/02/1327866602.db2.gz QHDQQVJHTWIULC-AWEZNQCLSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@@H+](C)Cc3ncc(CC)o3)C2)CC1 ZINC001027558761 1327869437 /nfs/dbraw/zinc/86/94/37/1327869437.db2.gz FVZRKQFCJIDNCK-KRWDZBQOSA-N 1 2 345.487 3.406 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@H+](C)Cc3ncc(CC)o3)C2)CC1 ZINC001027558761 1327869450 /nfs/dbraw/zinc/86/94/50/1327869450.db2.gz FVZRKQFCJIDNCK-KRWDZBQOSA-N 1 2 345.487 3.406 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]([N@H+](C)Cc2csc(C)n2)C1 ZINC001027560013 1327875760 /nfs/dbraw/zinc/87/57/60/1327875760.db2.gz NIFOTGOPXQNFER-WMZOPIPTSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]([N@@H+](C)Cc2csc(C)n2)C1 ZINC001027560013 1327875766 /nfs/dbraw/zinc/87/57/66/1327875766.db2.gz NIFOTGOPXQNFER-WMZOPIPTSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001046974380 1347172521 /nfs/dbraw/zinc/17/25/21/1347172521.db2.gz LLDPSRFKGYTBBE-HZSPNIEDSA-N 1 2 334.838 3.249 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001046974380 1347172522 /nfs/dbraw/zinc/17/25/22/1347172522.db2.gz LLDPSRFKGYTBBE-HZSPNIEDSA-N 1 2 334.838 3.249 20 30 EGEDLO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1)c1ccco1 ZINC001027718929 1328133813 /nfs/dbraw/zinc/13/38/13/1328133813.db2.gz BQBSYQAQWQBIQE-QGZVFWFLSA-N 1 2 342.826 3.179 20 30 EGEDLO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1)c1ccco1 ZINC001027718929 1328133815 /nfs/dbraw/zinc/13/38/15/1328133815.db2.gz BQBSYQAQWQBIQE-QGZVFWFLSA-N 1 2 342.826 3.179 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn3c2CCCC3)C1 ZINC000966840677 1328435747 /nfs/dbraw/zinc/43/57/47/1328435747.db2.gz FZJLRSSHRQOUHK-CZUORRHYSA-N 1 2 335.879 3.017 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn3c2CCCC3)C1 ZINC000966840677 1328435749 /nfs/dbraw/zinc/43/57/49/1328435749.db2.gz FZJLRSSHRQOUHK-CZUORRHYSA-N 1 2 335.879 3.017 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1COc2cc(C)c(C)cc21 ZINC001028048204 1328512822 /nfs/dbraw/zinc/51/28/22/1328512822.db2.gz AEKHTPNPCTVMHR-WBVHZDCISA-N 1 2 348.874 3.113 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1COc2cc(C)c(C)cc21 ZINC001028048204 1328512829 /nfs/dbraw/zinc/51/28/29/1328512829.db2.gz AEKHTPNPCTVMHR-WBVHZDCISA-N 1 2 348.874 3.113 20 30 EGEDLO Cc1ccn(C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)c(=O)c1C#N ZINC000863274437 1329543232 /nfs/dbraw/zinc/54/32/32/1329543232.db2.gz YMRWALJHMKTFIY-HNNXBMFYSA-N 1 2 343.377 3.144 20 30 EGEDLO Cc1ccn(C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)c(=O)c1C#N ZINC000863274437 1329543233 /nfs/dbraw/zinc/54/32/33/1329543233.db2.gz YMRWALJHMKTFIY-HNNXBMFYSA-N 1 2 343.377 3.144 20 30 EGEDLO N#Cc1ccsc1NC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000931830573 1329764610 /nfs/dbraw/zinc/76/46/10/1329764610.db2.gz AOCJUCRPVGMFNZ-UHFFFAOYSA-N 1 2 327.413 3.123 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)c2ccco2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000946991147 1332958326 /nfs/dbraw/zinc/95/83/26/1332958326.db2.gz LSANUPDYSPSJGJ-SUMWQHHRSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)c2ccco2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000946991147 1332958330 /nfs/dbraw/zinc/95/83/30/1332958330.db2.gz LSANUPDYSPSJGJ-SUMWQHHRSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)C2=CCCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947185436 1333041170 /nfs/dbraw/zinc/04/11/70/1333041170.db2.gz MJNDVCORWYLMDT-IFXJQAMLSA-N 1 2 341.430 3.277 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)C2=CCCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947185436 1333041172 /nfs/dbraw/zinc/04/11/72/1333041172.db2.gz MJNDVCORWYLMDT-IFXJQAMLSA-N 1 2 341.430 3.277 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2(C)CCCC2)C[C@@H]1C ZINC000947588729 1333184091 /nfs/dbraw/zinc/18/40/91/1333184091.db2.gz HMFFTXUWWNNXEQ-KBPBESRZSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2(C)CCCC2)C[C@@H]1C ZINC000947588729 1333184095 /nfs/dbraw/zinc/18/40/95/1333184095.db2.gz HMFFTXUWWNNXEQ-KBPBESRZSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2(C)CCC2)C[C@H]1C ZINC000947611423 1333191811 /nfs/dbraw/zinc/19/18/11/1333191811.db2.gz LGUPHSUIGVOIQC-OLZOCXBDSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2(C)CCC2)C[C@H]1C ZINC000947611423 1333191810 /nfs/dbraw/zinc/19/18/10/1333191810.db2.gz LGUPHSUIGVOIQC-OLZOCXBDSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C(C)C)no3)[C@H](C)C2)C1 ZINC000947703285 1333233864 /nfs/dbraw/zinc/23/38/64/1333233864.db2.gz XBDSQXYIIGIKSO-CABCVRRESA-N 1 2 346.475 3.018 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nc(C(C)C)no3)[C@H](C)C2)C1 ZINC000947703285 1333233865 /nfs/dbraw/zinc/23/38/65/1333233865.db2.gz XBDSQXYIIGIKSO-CABCVRRESA-N 1 2 346.475 3.018 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(CC)o3)[C@@H](C)C2)C1 ZINC000947703070 1333234134 /nfs/dbraw/zinc/23/41/34/1333234134.db2.gz VFOUFIAWHRZIMH-GJZGRUSLSA-N 1 2 331.460 3.062 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3ncc(CC)o3)[C@@H](C)C2)C1 ZINC000947703070 1333234135 /nfs/dbraw/zinc/23/41/35/1333234135.db2.gz VFOUFIAWHRZIMH-GJZGRUSLSA-N 1 2 331.460 3.062 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1conc1C(C)C ZINC000948923433 1333735395 /nfs/dbraw/zinc/73/53/95/1333735395.db2.gz JDXAOJOMXOUQAU-SFHVURJKSA-N 1 2 339.439 3.313 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1conc1C(C)C ZINC000948923433 1333735397 /nfs/dbraw/zinc/73/53/97/1333735397.db2.gz JDXAOJOMXOUQAU-SFHVURJKSA-N 1 2 339.439 3.313 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1conc1C(C)C ZINC000948923432 1333735824 /nfs/dbraw/zinc/73/58/24/1333735824.db2.gz JDXAOJOMXOUQAU-GOSISDBHSA-N 1 2 339.439 3.313 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1conc1C(C)C ZINC000948923432 1333735825 /nfs/dbraw/zinc/73/58/25/1333735825.db2.gz JDXAOJOMXOUQAU-GOSISDBHSA-N 1 2 339.439 3.313 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1occc1CC ZINC000948954033 1333746056 /nfs/dbraw/zinc/74/60/56/1333746056.db2.gz IRAVTHNQIKKZJQ-IBGZPJMESA-N 1 2 336.435 3.195 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1occc1CC ZINC000948954033 1333746058 /nfs/dbraw/zinc/74/60/58/1333746058.db2.gz IRAVTHNQIKKZJQ-IBGZPJMESA-N 1 2 336.435 3.195 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1csc(C)c1 ZINC000948970125 1333751426 /nfs/dbraw/zinc/75/14/26/1333751426.db2.gz SHRGMSFBTWGWKW-LJQANCHMSA-N 1 2 338.476 3.409 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1csc(C)c1 ZINC000948970125 1333751428 /nfs/dbraw/zinc/75/14/28/1333751428.db2.gz SHRGMSFBTWGWKW-LJQANCHMSA-N 1 2 338.476 3.409 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1oc(CC)nc1C ZINC000948977910 1333754752 /nfs/dbraw/zinc/75/47/52/1333754752.db2.gz FBQZUSQHHRFCDW-QGZVFWFLSA-N 1 2 339.439 3.061 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1oc(CC)nc1C ZINC000948977910 1333754754 /nfs/dbraw/zinc/75/47/54/1333754754.db2.gz FBQZUSQHHRFCDW-QGZVFWFLSA-N 1 2 339.439 3.061 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccoc1CCC ZINC000948978322 1333755071 /nfs/dbraw/zinc/75/50/71/1333755071.db2.gz JPPRXESASGSVNF-LJQANCHMSA-N 1 2 336.435 3.195 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccoc1CCC ZINC000948978322 1333755075 /nfs/dbraw/zinc/75/50/75/1333755075.db2.gz JPPRXESASGSVNF-LJQANCHMSA-N 1 2 336.435 3.195 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc2[nH]ccc2s1 ZINC000948979506 1333756016 /nfs/dbraw/zinc/75/60/16/1333756016.db2.gz XNIZWFZNQNHDJW-QGZVFWFLSA-N 1 2 349.459 3.192 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc2[nH]ccc2s1 ZINC000948979506 1333756018 /nfs/dbraw/zinc/75/60/18/1333756018.db2.gz XNIZWFZNQNHDJW-QGZVFWFLSA-N 1 2 349.459 3.192 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1c(C)noc1CC ZINC000948987432 1333761180 /nfs/dbraw/zinc/76/11/80/1333761180.db2.gz XVCWHSMUHVKILD-QGZVFWFLSA-N 1 2 339.439 3.061 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1c(C)noc1CC ZINC000948987432 1333761181 /nfs/dbraw/zinc/76/11/81/1333761181.db2.gz XVCWHSMUHVKILD-QGZVFWFLSA-N 1 2 339.439 3.061 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2oc3c(cccc3F)c2C)C1 ZINC000950514843 1334083478 /nfs/dbraw/zinc/08/34/78/1334083478.db2.gz ICJAQLJGJJDFOG-UHFFFAOYSA-N 1 2 328.387 3.050 20 30 EGEDLO C#Cc1ccc(C(=O)N(CC)C2C[NH+](Cc3csc(C)c3)C2)cc1 ZINC000951117524 1334185649 /nfs/dbraw/zinc/18/56/49/1334185649.db2.gz WEZPWMUYDOZDGX-UHFFFAOYSA-N 1 2 338.476 3.384 20 30 EGEDLO C#Cc1ccc(C(=O)N(CC)C2C[NH+](Cc3ccc(C)cc3)C2)cc1 ZINC000951117076 1334185774 /nfs/dbraw/zinc/18/57/74/1334185774.db2.gz AEHFXZLUZNASOB-UHFFFAOYSA-N 1 2 332.447 3.323 20 30 EGEDLO C[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1(F)CCCC1 ZINC000967034090 1335647144 /nfs/dbraw/zinc/64/71/44/1335647144.db2.gz ROQJFOMSNSGPQO-CRAIPNDOSA-N 1 2 343.446 3.167 20 30 EGEDLO C[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1(F)CCCC1 ZINC000967034090 1335647146 /nfs/dbraw/zinc/64/71/46/1335647146.db2.gz ROQJFOMSNSGPQO-CRAIPNDOSA-N 1 2 343.446 3.167 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC000967208206 1335676588 /nfs/dbraw/zinc/67/65/88/1335676588.db2.gz RJRIICGANNCROA-WBMJQRKESA-N 1 2 346.862 3.064 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC000967208206 1335676590 /nfs/dbraw/zinc/67/65/90/1335676590.db2.gz RJRIICGANNCROA-WBMJQRKESA-N 1 2 346.862 3.064 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2c(F)cccc2F)C1 ZINC000968034123 1335846666 /nfs/dbraw/zinc/84/66/66/1335846666.db2.gz HDHYHRRATOHNKS-MEDUHNTESA-N 1 2 342.817 3.086 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2c(F)cccc2F)C1 ZINC000968034123 1335846667 /nfs/dbraw/zinc/84/66/67/1335846667.db2.gz HDHYHRRATOHNKS-MEDUHNTESA-N 1 2 342.817 3.086 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3ncoc3C(C)C)CC[C@H]2C)C1 ZINC000968273727 1335882429 /nfs/dbraw/zinc/88/24/29/1335882429.db2.gz IZBWBVXHLPIQMI-HZPDHXFCSA-N 1 2 345.487 3.481 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3ncoc3C(C)C)CC[C@H]2C)C1 ZINC000968273727 1335882431 /nfs/dbraw/zinc/88/24/31/1335882431.db2.gz IZBWBVXHLPIQMI-HZPDHXFCSA-N 1 2 345.487 3.481 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC=C(Cl)Cl)CC[C@H]2C)C1 ZINC000968275854 1335882698 /nfs/dbraw/zinc/88/26/98/1335882698.db2.gz TUTBTPZPPAEFKG-CHWSQXEVSA-N 1 2 331.287 3.488 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC=C(Cl)Cl)CC[C@H]2C)C1 ZINC000968275854 1335882701 /nfs/dbraw/zinc/88/27/01/1335882701.db2.gz TUTBTPZPPAEFKG-CHWSQXEVSA-N 1 2 331.287 3.488 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(OCC)c2)C1 ZINC000968363957 1335903966 /nfs/dbraw/zinc/90/39/66/1335903966.db2.gz AXICAMLBUVORSX-CXAGYDPISA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(OCC)c2)C1 ZINC000968363957 1335903972 /nfs/dbraw/zinc/90/39/72/1335903972.db2.gz AXICAMLBUVORSX-CXAGYDPISA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2ccsc2C)C1 ZINC000968391391 1335916880 /nfs/dbraw/zinc/91/68/80/1335916880.db2.gz RMHAUJQXJQFNME-XHDPSFHLSA-N 1 2 326.893 3.178 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2ccsc2C)C1 ZINC000968391391 1335916883 /nfs/dbraw/zinc/91/68/83/1335916883.db2.gz RMHAUJQXJQFNME-XHDPSFHLSA-N 1 2 326.893 3.178 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3ccn(C)c3c2)C1 ZINC000968503963 1335944560 /nfs/dbraw/zinc/94/45/60/1335944560.db2.gz CWSHKAGPTFZVMW-CXAGYDPISA-N 1 2 345.874 3.371 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3ccn(C)c3c2)C1 ZINC000968503963 1335944562 /nfs/dbraw/zinc/94/45/62/1335944562.db2.gz CWSHKAGPTFZVMW-CXAGYDPISA-N 1 2 345.874 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2sc(C)cc2C)C1 ZINC000968596840 1335978039 /nfs/dbraw/zinc/97/80/39/1335978039.db2.gz NEEANMYAYWDIRB-XHDPSFHLSA-N 1 2 340.920 3.487 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2sc(C)cc2C)C1 ZINC000968596840 1335978042 /nfs/dbraw/zinc/97/80/42/1335978042.db2.gz NEEANMYAYWDIRB-XHDPSFHLSA-N 1 2 340.920 3.487 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCCC[C@H]1CNC(=O)C1CCC1 ZINC000968727576 1336026811 /nfs/dbraw/zinc/02/68/11/1336026811.db2.gz YVPCOEPYTIUTIZ-IBGZPJMESA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCCC[C@H]1CNC(=O)C1CCC1 ZINC000968727576 1336026814 /nfs/dbraw/zinc/02/68/14/1336026814.db2.gz YVPCOEPYTIUTIZ-IBGZPJMESA-N 1 2 343.446 3.358 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1scnc1CC ZINC000968885232 1336079787 /nfs/dbraw/zinc/07/97/87/1336079787.db2.gz PSFIYPDXGZPBMK-CYBMUJFWSA-N 1 2 341.908 3.432 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1scnc1CC ZINC000968885232 1336079788 /nfs/dbraw/zinc/07/97/88/1336079788.db2.gz PSFIYPDXGZPBMK-CYBMUJFWSA-N 1 2 341.908 3.432 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1coc(CCC)n1 ZINC000969115553 1336149257 /nfs/dbraw/zinc/14/92/57/1336149257.db2.gz RBZODDAPFSQWDZ-AWEZNQCLSA-N 1 2 339.867 3.354 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1coc(CCC)n1 ZINC000969115553 1336149259 /nfs/dbraw/zinc/14/92/59/1336149259.db2.gz RBZODDAPFSQWDZ-AWEZNQCLSA-N 1 2 339.867 3.354 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cccc3c2CCCC3)C1 ZINC000969740429 1336241597 /nfs/dbraw/zinc/24/15/97/1336241597.db2.gz VTIIXIHOQDIZGT-CQSZACIVSA-N 1 2 332.875 3.368 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc3nccc(C)c3c2)C1 ZINC000969754721 1336243293 /nfs/dbraw/zinc/24/32/93/1336243293.db2.gz WMLHCVKEYFQUKT-AWEZNQCLSA-N 1 2 343.858 3.346 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cccc(OCCC)c2)C1 ZINC000969770546 1336246000 /nfs/dbraw/zinc/24/60/00/1336246000.db2.gz GMDLTMVKLGNVNK-CQSZACIVSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC000970372130 1336299108 /nfs/dbraw/zinc/29/91/08/1336299108.db2.gz MQHXQAQPEJLXGQ-GFCCVEGCSA-N 1 2 327.255 3.451 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc3cnccc3c2)C1 ZINC000970699470 1336333947 /nfs/dbraw/zinc/33/39/47/1336333947.db2.gz IPIWTCFKYXZFBR-CYBMUJFWSA-N 1 2 329.831 3.037 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2[nH]ccc2-c2ccccc2)C1 ZINC000970728200 1336335856 /nfs/dbraw/zinc/33/58/56/1336335856.db2.gz GXFWHVAFGFAHDM-AWEZNQCLSA-N 1 2 343.858 3.484 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2cc(-c3ccco3)on2)CC1 ZINC001005795021 1336402820 /nfs/dbraw/zinc/40/28/20/1336402820.db2.gz HWSQCELVMPYSJX-UHFFFAOYSA-N 1 2 349.818 3.224 20 30 EGEDLO C=C1CCC(C(=O)N(C)C2CC[NH+]([C@@H](C)c3ncccn3)CC2)CC1 ZINC001005934056 1336425547 /nfs/dbraw/zinc/42/55/47/1336425547.db2.gz DTTQXDLFDYZUIP-INIZCTEOSA-N 1 2 342.487 3.207 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccccc3)C2)c(F)c1 ZINC001006613925 1336539479 /nfs/dbraw/zinc/53/94/79/1336539479.db2.gz KDHVUZBGTZSOCJ-SFHVURJKSA-N 1 2 337.398 3.092 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3ccccc3)C2)c(F)c1 ZINC001006613925 1336539480 /nfs/dbraw/zinc/53/94/80/1336539480.db2.gz KDHVUZBGTZSOCJ-SFHVURJKSA-N 1 2 337.398 3.092 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(OCCC)c2)C1 ZINC001007449094 1336648889 /nfs/dbraw/zinc/64/88/89/1336648889.db2.gz VCTZWYHNMXMUQN-MRXNPFEDSA-N 1 2 336.863 3.422 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(OCCC)c2)C1 ZINC001007449094 1336648891 /nfs/dbraw/zinc/64/88/91/1336648891.db2.gz VCTZWYHNMXMUQN-MRXNPFEDSA-N 1 2 336.863 3.422 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001007950828 1336737843 /nfs/dbraw/zinc/73/78/43/1336737843.db2.gz IETSEMWHKIYFHK-NVXWUHKLSA-N 1 2 336.838 3.189 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001007950828 1336737845 /nfs/dbraw/zinc/73/78/45/1336737845.db2.gz IETSEMWHKIYFHK-NVXWUHKLSA-N 1 2 336.838 3.189 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cc3ccccc3o2)C1 ZINC001008121308 1336774383 /nfs/dbraw/zinc/77/43/83/1336774383.db2.gz ILUJJIGMIXMURU-OAHLLOKOSA-N 1 2 332.831 3.308 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2cc3ccccc3o2)C1 ZINC001008121308 1336774385 /nfs/dbraw/zinc/77/43/85/1336774385.db2.gz ILUJJIGMIXMURU-OAHLLOKOSA-N 1 2 332.831 3.308 20 30 EGEDLO C[C@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)C=CCC1 ZINC001008230623 1336799143 /nfs/dbraw/zinc/79/91/43/1336799143.db2.gz MDJMOSVEGHVTMH-XLIONFOSSA-N 1 2 341.430 3.134 20 30 EGEDLO C[C@]1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)C=CCC1 ZINC001008230623 1336799145 /nfs/dbraw/zinc/79/91/45/1336799145.db2.gz MDJMOSVEGHVTMH-XLIONFOSSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001008806953 1336928897 /nfs/dbraw/zinc/92/88/97/1336928897.db2.gz BCAODUSPXDFBGZ-CWRNSKLLSA-N 1 2 336.838 3.262 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001008806953 1336928899 /nfs/dbraw/zinc/92/88/99/1336928899.db2.gz BCAODUSPXDFBGZ-CWRNSKLLSA-N 1 2 336.838 3.262 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCc3ccccc32)C1 ZINC001008927531 1336944061 /nfs/dbraw/zinc/94/40/61/1336944061.db2.gz SOYIMBNTAREFRF-IAGOWNOFSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCc3ccccc32)C1 ZINC001008927531 1336944064 /nfs/dbraw/zinc/94/40/64/1336944064.db2.gz SOYIMBNTAREFRF-IAGOWNOFSA-N 1 2 332.875 3.440 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1)C1CCCC1 ZINC001009151528 1336977083 /nfs/dbraw/zinc/97/70/83/1336977083.db2.gz GQEWEKRUFIUPHW-OXQOHEQNSA-N 1 2 339.483 3.465 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1)C1CCCC1 ZINC001009151528 1336977085 /nfs/dbraw/zinc/97/70/85/1336977085.db2.gz GQEWEKRUFIUPHW-OXQOHEQNSA-N 1 2 339.483 3.465 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2CCC(C(F)F)CC2)C1 ZINC001009363652 1337011821 /nfs/dbraw/zinc/01/18/21/1337011821.db2.gz CRQOQNFAGXASJM-RUXDESIVSA-N 1 2 334.838 3.391 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2CCC(C(F)F)CC2)C1 ZINC001009363652 1337011823 /nfs/dbraw/zinc/01/18/23/1337011823.db2.gz CRQOQNFAGXASJM-RUXDESIVSA-N 1 2 334.838 3.391 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)s1 ZINC001009954825 1337121547 /nfs/dbraw/zinc/12/15/47/1337121547.db2.gz XUBCVMQQUDMFRF-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)s1 ZINC001009954825 1337121548 /nfs/dbraw/zinc/12/15/48/1337121548.db2.gz XUBCVMQQUDMFRF-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1cscc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001010482069 1337204787 /nfs/dbraw/zinc/20/47/87/1337204787.db2.gz JPORDEFLELMGNS-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1cscc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001010482069 1337204788 /nfs/dbraw/zinc/20/47/88/1337204788.db2.gz JPORDEFLELMGNS-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC(CCN(C)c3cc[nH+]c(C)n3)CC2)C1 ZINC001063973122 1352118775 /nfs/dbraw/zinc/11/87/75/1352118775.db2.gz NBZKSCMCQSNAKT-UHFFFAOYSA-N 1 2 342.487 3.206 20 30 EGEDLO C[C@@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CC=CCC1 ZINC001014550939 1337820741 /nfs/dbraw/zinc/82/07/41/1337820741.db2.gz PIQIEGSPVGNVSW-FXAWDEMLSA-N 1 2 341.430 3.134 20 30 EGEDLO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CC=CCC1 ZINC001014550939 1337820744 /nfs/dbraw/zinc/82/07/44/1337820744.db2.gz PIQIEGSPVGNVSW-FXAWDEMLSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cn(CC)c3ccccc23)C1 ZINC001015176009 1338041901 /nfs/dbraw/zinc/04/19/01/1338041901.db2.gz KERMUAKTHDHJOF-CQSZACIVSA-N 1 2 331.847 3.218 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cn(CC)c3ccccc23)C1 ZINC001015176009 1338041903 /nfs/dbraw/zinc/04/19/03/1338041903.db2.gz KERMUAKTHDHJOF-CQSZACIVSA-N 1 2 331.847 3.218 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(C(F)F)cc2)C1 ZINC001015246417 1338070938 /nfs/dbraw/zinc/07/09/38/1338070938.db2.gz JMUCFQLYJGAGIZ-CQSZACIVSA-N 1 2 328.790 3.110 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(C(F)F)cc2)C1 ZINC001015246417 1338070939 /nfs/dbraw/zinc/07/09/39/1338070939.db2.gz JMUCFQLYJGAGIZ-CQSZACIVSA-N 1 2 328.790 3.110 20 30 EGEDLO CC1(C)CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001015556754 1338179605 /nfs/dbraw/zinc/17/96/05/1338179605.db2.gz LQDGPUOPNZONHR-IRXDYDNUSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001015556754 1338179607 /nfs/dbraw/zinc/17/96/07/1338179607.db2.gz LQDGPUOPNZONHR-IRXDYDNUSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001015558721 1338180705 /nfs/dbraw/zinc/18/07/05/1338180705.db2.gz VLWORQGGXKNWDN-DLBZAZTESA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001015558721 1338180706 /nfs/dbraw/zinc/18/07/06/1338180706.db2.gz VLWORQGGXKNWDN-DLBZAZTESA-N 1 2 343.446 3.214 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001015612622 1338207320 /nfs/dbraw/zinc/20/73/20/1338207320.db2.gz ZJZYRWLKPJMGPR-QGZVFWFLSA-N 1 2 335.407 3.033 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001015612622 1338207323 /nfs/dbraw/zinc/20/73/23/1338207323.db2.gz ZJZYRWLKPJMGPR-QGZVFWFLSA-N 1 2 335.407 3.033 20 30 EGEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1coc(C(F)F)c1 ZINC001015616443 1338208701 /nfs/dbraw/zinc/20/87/01/1338208701.db2.gz OKAAYBZIGBVOSU-INIZCTEOSA-N 1 2 344.361 3.073 20 30 EGEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1coc(C(F)F)c1 ZINC001015616443 1338208703 /nfs/dbraw/zinc/20/87/03/1338208703.db2.gz OKAAYBZIGBVOSU-INIZCTEOSA-N 1 2 344.361 3.073 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001015640732 1338224955 /nfs/dbraw/zinc/22/49/55/1338224955.db2.gz ZFTCZQIIKCJNOE-LJQANCHMSA-N 1 2 344.418 3.044 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001015640732 1338224956 /nfs/dbraw/zinc/22/49/56/1338224956.db2.gz ZFTCZQIIKCJNOE-LJQANCHMSA-N 1 2 344.418 3.044 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc3nc(C)ccc3c2)C1 ZINC001015884236 1338346348 /nfs/dbraw/zinc/34/63/48/1338346348.db2.gz SQRKTNQJNJKZHX-MRXNPFEDSA-N 1 2 329.831 3.100 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3nc(C)ccc3c2)C1 ZINC001015884236 1338346352 /nfs/dbraw/zinc/34/63/52/1338346352.db2.gz SQRKTNQJNJKZHX-MRXNPFEDSA-N 1 2 329.831 3.100 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2[nH]c3ccc(C)cc3c2C)C1 ZINC001015925146 1338359886 /nfs/dbraw/zinc/35/98/86/1338359886.db2.gz ASBZRHVBJMDMIJ-CQSZACIVSA-N 1 2 331.847 3.341 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]c3ccc(C)cc3c2C)C1 ZINC001015925146 1338359888 /nfs/dbraw/zinc/35/98/88/1338359888.db2.gz ASBZRHVBJMDMIJ-CQSZACIVSA-N 1 2 331.847 3.341 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2OCC2CC2)C1 ZINC001016328641 1338552331 /nfs/dbraw/zinc/55/23/31/1338552331.db2.gz XCCXINQPLWFOBY-HNNXBMFYSA-N 1 2 334.847 3.032 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccc2OCC2CC2)C1 ZINC001016328641 1338552333 /nfs/dbraw/zinc/55/23/33/1338552333.db2.gz XCCXINQPLWFOBY-HNNXBMFYSA-N 1 2 334.847 3.032 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001016347008 1338560629 /nfs/dbraw/zinc/56/06/29/1338560629.db2.gz ZPMJWAOCIZCFQO-PNGKTBNWSA-N 1 2 337.467 3.075 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001016347008 1338560633 /nfs/dbraw/zinc/56/06/33/1338560633.db2.gz ZPMJWAOCIZCFQO-PNGKTBNWSA-N 1 2 337.467 3.075 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2CCCCC2)c1 ZINC001017311761 1339326147 /nfs/dbraw/zinc/32/61/47/1339326147.db2.gz SPAULFUUFMTMHG-BGYRXZFFSA-N 1 2 337.467 3.314 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2CCCCC2)c1 ZINC001017311761 1339326148 /nfs/dbraw/zinc/32/61/48/1339326148.db2.gz SPAULFUUFMTMHG-BGYRXZFFSA-N 1 2 337.467 3.314 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2c(C)c(C)[nH]c21 ZINC001017667545 1339387838 /nfs/dbraw/zinc/38/78/38/1339387838.db2.gz FDJVKJIGYYPJCI-CALCHBBNSA-N 1 2 335.451 3.097 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2c(C)c(C)[nH]c21 ZINC001017667545 1339387842 /nfs/dbraw/zinc/38/78/42/1339387842.db2.gz FDJVKJIGYYPJCI-CALCHBBNSA-N 1 2 335.451 3.097 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001017697722 1339393841 /nfs/dbraw/zinc/39/38/41/1339393841.db2.gz DZWGNLSPGTVHCA-YHUYYLMFSA-N 1 2 342.405 3.054 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001017697722 1339393844 /nfs/dbraw/zinc/39/38/44/1339393844.db2.gz DZWGNLSPGTVHCA-YHUYYLMFSA-N 1 2 342.405 3.054 20 30 EGEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sc(C)nc1CC(C)C ZINC001017709028 1339396621 /nfs/dbraw/zinc/39/66/21/1339396621.db2.gz CUPHDVFNQPBQJR-GASCZTMLSA-N 1 2 333.501 3.125 20 30 EGEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sc(C)nc1CC(C)C ZINC001017709028 1339396624 /nfs/dbraw/zinc/39/66/24/1339396624.db2.gz CUPHDVFNQPBQJR-GASCZTMLSA-N 1 2 333.501 3.125 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccccc1CC ZINC001017856511 1339431197 /nfs/dbraw/zinc/43/11/97/1339431197.db2.gz SCGRHFZMUKUUAO-IZZBFERCSA-N 1 2 336.479 3.051 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccccc1CC ZINC001017856511 1339431200 /nfs/dbraw/zinc/43/12/00/1339431200.db2.gz SCGRHFZMUKUUAO-IZZBFERCSA-N 1 2 336.479 3.051 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1oc(CC(C)C)nc1C ZINC001028189839 1340475989 /nfs/dbraw/zinc/47/59/89/1340475989.db2.gz IPMYXUAZNYFUOV-AWEZNQCLSA-N 1 2 339.867 3.128 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1oc(CC(C)C)nc1C ZINC001028189839 1340475991 /nfs/dbraw/zinc/47/59/91/1340475991.db2.gz IPMYXUAZNYFUOV-AWEZNQCLSA-N 1 2 339.867 3.128 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccnc(C(F)(F)F)c1 ZINC001028240884 1340502258 /nfs/dbraw/zinc/50/22/58/1340502258.db2.gz MCGNEEXRSZBHPA-GFCCVEGCSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnc(C(F)(F)F)c1 ZINC001028240884 1340502259 /nfs/dbraw/zinc/50/22/59/1340502259.db2.gz MCGNEEXRSZBHPA-GFCCVEGCSA-N 1 2 347.768 3.047 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)c2ccc(F)s2)s1 ZINC001028346826 1340586159 /nfs/dbraw/zinc/58/61/59/1340586159.db2.gz HZTHBXHJYGHPOU-NSHDSACASA-N 1 2 349.456 3.215 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)c2ccc(F)s2)s1 ZINC001028346826 1340586162 /nfs/dbraw/zinc/58/61/62/1340586162.db2.gz HZTHBXHJYGHPOU-NSHDSACASA-N 1 2 349.456 3.215 20 30 EGEDLO O=C(C1CCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001029184069 1340950179 /nfs/dbraw/zinc/95/01/79/1340950179.db2.gz KERBCCPBPIUKPF-KDURUIRLSA-N 1 2 342.870 3.167 20 30 EGEDLO O=C(C1CCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001029184069 1340950180 /nfs/dbraw/zinc/95/01/80/1340950180.db2.gz KERBCCPBPIUKPF-KDURUIRLSA-N 1 2 342.870 3.167 20 30 EGEDLO CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001029210617 1340955390 /nfs/dbraw/zinc/95/53/90/1340955390.db2.gz NXFPLIZJYUVCQJ-CALCHBBNSA-N 1 2 343.446 3.309 20 30 EGEDLO CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001029210617 1340955393 /nfs/dbraw/zinc/95/53/93/1340955393.db2.gz NXFPLIZJYUVCQJ-CALCHBBNSA-N 1 2 343.446 3.309 20 30 EGEDLO CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001029213629 1340956285 /nfs/dbraw/zinc/95/62/85/1340956285.db2.gz KIQACFUMXIEJFC-HDICACEKSA-N 1 2 325.456 3.170 20 30 EGEDLO CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001029213629 1340956287 /nfs/dbraw/zinc/95/62/87/1340956287.db2.gz KIQACFUMXIEJFC-HDICACEKSA-N 1 2 325.456 3.170 20 30 EGEDLO CCC(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001029215673 1340956742 /nfs/dbraw/zinc/95/67/42/1340956742.db2.gz UJGCWPJKLOBESQ-HDICACEKSA-N 1 2 343.446 3.309 20 30 EGEDLO CCC(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001029215673 1340956743 /nfs/dbraw/zinc/95/67/43/1340956743.db2.gz UJGCWPJKLOBESQ-HDICACEKSA-N 1 2 343.446 3.309 20 30 EGEDLO CC(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1)=C1CCC1 ZINC001029302110 1340969222 /nfs/dbraw/zinc/96/92/22/1340969222.db2.gz SJQZBESRTZOXSA-OYRHEFFESA-N 1 2 334.463 3.214 20 30 EGEDLO CC(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1)=C1CCC1 ZINC001029302110 1340969223 /nfs/dbraw/zinc/96/92/23/1340969223.db2.gz SJQZBESRTZOXSA-OYRHEFFESA-N 1 2 334.463 3.214 20 30 EGEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2F)cc1 ZINC001029416946 1340985840 /nfs/dbraw/zinc/98/58/40/1340985840.db2.gz BREWQTHKDOZJOU-BGYRXZFFSA-N 1 2 348.421 3.296 20 30 EGEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2F)cc1 ZINC001029416946 1340985842 /nfs/dbraw/zinc/98/58/42/1340985842.db2.gz BREWQTHKDOZJOU-BGYRXZFFSA-N 1 2 348.421 3.296 20 30 EGEDLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C#N)c(F)c2)CCC1 ZINC001029424992 1340987396 /nfs/dbraw/zinc/98/73/96/1340987396.db2.gz NZMFMCZONWIRAU-CALCHBBNSA-N 1 2 341.430 3.063 20 30 EGEDLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)c(F)c2)CCC1 ZINC001029424992 1340987397 /nfs/dbraw/zinc/98/73/97/1340987397.db2.gz NZMFMCZONWIRAU-CALCHBBNSA-N 1 2 341.430 3.063 20 30 EGEDLO C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N)C1CC1 ZINC001029598648 1341019237 /nfs/dbraw/zinc/01/92/37/1341019237.db2.gz BXHJGQXDXVCQAC-RYGJVYDSSA-N 1 2 337.467 3.170 20 30 EGEDLO C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N)C1CC1 ZINC001029598648 1341019238 /nfs/dbraw/zinc/01/92/38/1341019238.db2.gz BXHJGQXDXVCQAC-RYGJVYDSSA-N 1 2 337.467 3.170 20 30 EGEDLO C=C1CC(C)(C(=O)NC2C[NH+]([C@@H]3CCCc4ccc(F)cc43)C2)C1 ZINC001030924722 1341250895 /nfs/dbraw/zinc/25/08/95/1341250895.db2.gz XOIPTDMPRRSMEH-GOSISDBHSA-N 1 2 328.431 3.360 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[NH+]([C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC001030977667 1341257043 /nfs/dbraw/zinc/25/70/43/1341257043.db2.gz UMGRWDCEHYEZAB-BEVDRBHNSA-N 1 2 342.483 3.263 20 30 EGEDLO C#Cc1ccccc1CC(=O)NC1C[NH+](Cc2ccc(CCC)cc2)C1 ZINC001031314000 1341318464 /nfs/dbraw/zinc/31/84/64/1341318464.db2.gz FNZPFKFYARNHRH-UHFFFAOYSA-N 1 2 346.474 3.164 20 30 EGEDLO C#Cc1ccccc1CC(=O)NC1C[NH+](Cc2ccc(C(C)C)cc2)C1 ZINC001031313379 1341318505 /nfs/dbraw/zinc/31/85/05/1341318505.db2.gz LASNZMSUAIUKNC-UHFFFAOYSA-N 1 2 346.474 3.334 20 30 EGEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)c1ccccc1 ZINC001031521054 1341361542 /nfs/dbraw/zinc/36/15/42/1341361542.db2.gz MBNURJLPYCYSTL-UHFFFAOYSA-N 1 2 338.838 3.053 20 30 EGEDLO Cc1cc(C)c(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)s1 ZINC001031700420 1341390433 /nfs/dbraw/zinc/39/04/33/1341390433.db2.gz XOUYDDGQSNABHA-UHFFFAOYSA-N 1 2 338.476 3.078 20 30 EGEDLO CCc1ccsc1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001032204498 1341472817 /nfs/dbraw/zinc/47/28/17/1341472817.db2.gz WUSNCKJJCNICKQ-UHFFFAOYSA-N 1 2 339.464 3.044 20 30 EGEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2coc3ccccc23)C1 ZINC001032225718 1341477518 /nfs/dbraw/zinc/47/75/18/1341477518.db2.gz ZAFYBVZZXOULAZ-UHFFFAOYSA-N 1 2 345.402 3.166 20 30 EGEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2cc(Cl)ccc2o1 ZINC001032506708 1341525660 /nfs/dbraw/zinc/52/56/60/1341525660.db2.gz LOWFXCCNODVXST-GJZGRUSLSA-N 1 2 328.799 3.008 20 30 EGEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2cc(Cl)ccc2o1 ZINC001032506708 1341525661 /nfs/dbraw/zinc/52/56/61/1341525661.db2.gz LOWFXCCNODVXST-GJZGRUSLSA-N 1 2 328.799 3.008 20 30 EGEDLO Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)cc1F ZINC001032506450 1341525890 /nfs/dbraw/zinc/52/58/90/1341525890.db2.gz HGJJRDBIUYXIFX-OALUTQOASA-N 1 2 349.409 3.105 20 30 EGEDLO Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)cc1F ZINC001032506450 1341525891 /nfs/dbraw/zinc/52/58/91/1341525891.db2.gz HGJJRDBIUYXIFX-OALUTQOASA-N 1 2 349.409 3.105 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2cccc(C(F)F)c2)C1 ZINC001033258545 1341760666 /nfs/dbraw/zinc/76/06/66/1341760666.db2.gz AMFAZHTUJHNMJV-OAHLLOKOSA-N 1 2 342.817 3.452 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cccc(C(F)F)c2)C1 ZINC001033258545 1341760667 /nfs/dbraw/zinc/76/06/67/1341760667.db2.gz AMFAZHTUJHNMJV-OAHLLOKOSA-N 1 2 342.817 3.452 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnc3ccsc3c2)C1 ZINC001033330548 1341784133 /nfs/dbraw/zinc/78/41/33/1341784133.db2.gz DEOKCWLFHISYEH-ZDUSSCGKSA-N 1 2 335.860 3.195 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnc3ccsc3c2)C1 ZINC001033330548 1341784135 /nfs/dbraw/zinc/78/41/35/1341784135.db2.gz DEOKCWLFHISYEH-ZDUSSCGKSA-N 1 2 335.860 3.195 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3ncccc3c2)C1 ZINC001033379518 1341803454 /nfs/dbraw/zinc/80/34/54/1341803454.db2.gz VYUXCNACZQOJDH-MRXNPFEDSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3ncccc3c2)C1 ZINC001033379518 1341803456 /nfs/dbraw/zinc/80/34/56/1341803456.db2.gz VYUXCNACZQOJDH-MRXNPFEDSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ncoc3C(C)C)C2)C1 ZINC001033397819 1341812788 /nfs/dbraw/zinc/81/27/88/1341812788.db2.gz DOQKZXXIPBOZRV-HNNXBMFYSA-N 1 2 331.460 3.187 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@H+](Cc3ncoc3C(C)C)C2)C1 ZINC001033397819 1341812789 /nfs/dbraw/zinc/81/27/89/1341812789.db2.gz DOQKZXXIPBOZRV-HNNXBMFYSA-N 1 2 331.460 3.187 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cccc(F)c3F)C2)C1 ZINC001033398787 1341813230 /nfs/dbraw/zinc/81/32/30/1341813230.db2.gz KZMBMJVXJHMRPM-OAHLLOKOSA-N 1 2 334.410 3.354 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)C1 ZINC001033398787 1341813231 /nfs/dbraw/zinc/81/32/31/1341813231.db2.gz KZMBMJVXJHMRPM-OAHLLOKOSA-N 1 2 334.410 3.354 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC23CCCC3)C1 ZINC001033564851 1341875531 /nfs/dbraw/zinc/87/55/31/1341875531.db2.gz ZXTNTBSFCWCITE-KBPBESRZSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC23CCCC3)C1 ZINC001033564851 1341875533 /nfs/dbraw/zinc/87/55/33/1341875533.db2.gz ZXTNTBSFCWCITE-KBPBESRZSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCC3(CCC3)CO2)C1 ZINC001033603852 1341894714 /nfs/dbraw/zinc/89/47/14/1341894714.db2.gz WGELPIMVBXBPHZ-HZPDHXFCSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCC3(CCC3)CO2)C1 ZINC001033603852 1341894717 /nfs/dbraw/zinc/89/47/17/1341894717.db2.gz WGELPIMVBXBPHZ-HZPDHXFCSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC001033607023 1341896704 /nfs/dbraw/zinc/89/67/04/1341896704.db2.gz SZISRZFVMQABRM-WCWCZOKXSA-N 1 2 336.907 3.488 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC001033607023 1341896705 /nfs/dbraw/zinc/89/67/05/1341896705.db2.gz SZISRZFVMQABRM-WCWCZOKXSA-N 1 2 336.907 3.488 20 30 EGEDLO CN(C(=O)c1ccc(F)s1)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033700616 1341967015 /nfs/dbraw/zinc/96/70/15/1341967015.db2.gz BQIDDRAIRJHFJX-MRXNPFEDSA-N 1 2 342.439 3.085 20 30 EGEDLO CN(C(=O)c1ccc(F)s1)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033700616 1341967017 /nfs/dbraw/zinc/96/70/17/1341967017.db2.gz BQIDDRAIRJHFJX-MRXNPFEDSA-N 1 2 342.439 3.085 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001033931640 1342095574 /nfs/dbraw/zinc/09/55/74/1342095574.db2.gz PDJGJENRBRENTM-CZUORRHYSA-N 1 2 348.874 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001033931640 1342095582 /nfs/dbraw/zinc/09/55/82/1342095582.db2.gz PDJGJENRBRENTM-CZUORRHYSA-N 1 2 348.874 3.471 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(OC)cc2C)C1 ZINC001033937302 1342099891 /nfs/dbraw/zinc/09/98/91/1342099891.db2.gz YIBIYTFHSVEFSZ-HNNXBMFYSA-N 1 2 336.863 3.293 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(OC)cc2C)C1 ZINC001033937302 1342099893 /nfs/dbraw/zinc/09/98/93/1342099893.db2.gz YIBIYTFHSVEFSZ-HNNXBMFYSA-N 1 2 336.863 3.293 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001033956973 1342113287 /nfs/dbraw/zinc/11/32/87/1342113287.db2.gz IJFZNIHTJGIWTE-KGLIPLIRSA-N 1 2 334.838 3.487 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001033956973 1342113288 /nfs/dbraw/zinc/11/32/88/1342113288.db2.gz IJFZNIHTJGIWTE-KGLIPLIRSA-N 1 2 334.838 3.487 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(N(C)CC)cc2)C1 ZINC001034057257 1342197399 /nfs/dbraw/zinc/19/73/99/1342197399.db2.gz SZHUBCYXMGTERO-SFHVURJKSA-N 1 2 349.906 3.432 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(N(C)CC)cc2)C1 ZINC001034057257 1342197405 /nfs/dbraw/zinc/19/74/05/1342197405.db2.gz SZHUBCYXMGTERO-SFHVURJKSA-N 1 2 349.906 3.432 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2coc(C(C)(C)C)n2)C1 ZINC001034202691 1342312656 /nfs/dbraw/zinc/31/26/56/1342312656.db2.gz ASINOVIKYWWWFP-CYBMUJFWSA-N 1 2 339.867 3.309 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2coc(C(C)(C)C)n2)C1 ZINC001034202691 1342312659 /nfs/dbraw/zinc/31/26/59/1342312659.db2.gz ASINOVIKYWWWFP-CYBMUJFWSA-N 1 2 339.867 3.309 20 30 EGEDLO C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001034347957 1342417997 /nfs/dbraw/zinc/41/79/97/1342417997.db2.gz WESOBPRGBXQGJF-JQHSSLGASA-N 1 2 344.886 3.318 20 30 EGEDLO C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001034347957 1342417999 /nfs/dbraw/zinc/41/79/99/1342417999.db2.gz WESOBPRGBXQGJF-JQHSSLGASA-N 1 2 344.886 3.318 20 30 EGEDLO CC1(C(=O)N[C@H]2CCCC[N@H+](Cc3cc(F)ccc3C#N)C2)CCC1 ZINC001034350358 1342419567 /nfs/dbraw/zinc/41/95/67/1342419567.db2.gz CWLHBPNSMBGYGT-SFHVURJKSA-N 1 2 343.446 3.358 20 30 EGEDLO CC1(C(=O)N[C@H]2CCCC[N@@H+](Cc3cc(F)ccc3C#N)C2)CCC1 ZINC001034350358 1342419570 /nfs/dbraw/zinc/41/95/70/1342419570.db2.gz CWLHBPNSMBGYGT-SFHVURJKSA-N 1 2 343.446 3.358 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@H+](Cc3coc(C4CC4)n3)C2)C1 ZINC001034390016 1342459165 /nfs/dbraw/zinc/45/91/65/1342459165.db2.gz WXAMWZMXILHFGQ-INIZCTEOSA-N 1 2 343.471 3.379 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@@H+](Cc3coc(C4CC4)n3)C2)C1 ZINC001034390016 1342459168 /nfs/dbraw/zinc/45/91/68/1342459168.db2.gz WXAMWZMXILHFGQ-INIZCTEOSA-N 1 2 343.471 3.379 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(F)c(OC)c2)C1 ZINC001034408010 1342470855 /nfs/dbraw/zinc/47/08/55/1342470855.db2.gz GDMYGKVPWPGYCF-AWEZNQCLSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(F)c(OC)c2)C1 ZINC001034408010 1342470856 /nfs/dbraw/zinc/47/08/56/1342470856.db2.gz GDMYGKVPWPGYCF-AWEZNQCLSA-N 1 2 340.826 3.171 20 30 EGEDLO CC(C)(C)C(=O)N[C@@H]1CCCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001034495751 1342551762 /nfs/dbraw/zinc/55/17/62/1342551762.db2.gz NHDNBFAKDRJZKG-QGZVFWFLSA-N 1 2 331.435 3.214 20 30 EGEDLO CC(C)(C)C(=O)N[C@@H]1CCCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001034495751 1342551764 /nfs/dbraw/zinc/55/17/64/1342551764.db2.gz NHDNBFAKDRJZKG-QGZVFWFLSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ncccc2Cl)C1 ZINC001034497192 1342553346 /nfs/dbraw/zinc/55/33/46/1342553346.db2.gz PNCIRKRKZAMVNX-LBPRGKRZSA-N 1 2 328.243 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ncccc2Cl)C1 ZINC001034497192 1342553351 /nfs/dbraw/zinc/55/33/51/1342553351.db2.gz PNCIRKRKZAMVNX-LBPRGKRZSA-N 1 2 328.243 3.072 20 30 EGEDLO C[C@@H](C#N)C(=O)N1CCC2(C[NH+](Cc3cccc(F)c3Cl)C2)CC1 ZINC001035670419 1343130668 /nfs/dbraw/zinc/13/06/68/1343130668.db2.gz FUFZUVKTBSCYQQ-ZDUSSCGKSA-N 1 2 349.837 3.063 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[C@H](C)c1ccncc1)CC2 ZINC001035733005 1343158838 /nfs/dbraw/zinc/15/88/38/1343158838.db2.gz KWGJNVSOWQNDIP-HNNXBMFYSA-N 1 2 347.890 3.252 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC2(C[NH+](Cc3ccncc3Cl)C2)CC1 ZINC001035768716 1343180758 /nfs/dbraw/zinc/18/07/58/1343180758.db2.gz MBXOXYORVLNUEW-UHFFFAOYSA-N 1 2 347.890 3.372 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC2(C[NH+](Cc3ccc(Cl)nc3)C2)CC1 ZINC001035768188 1343180879 /nfs/dbraw/zinc/18/08/79/1343180879.db2.gz FCNKCDDEJVQTFI-UHFFFAOYSA-N 1 2 347.890 3.372 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccoc1C1CC1)CC2 ZINC001035776465 1343187138 /nfs/dbraw/zinc/18/71/38/1343187138.db2.gz PCIBTNHKOQEMKH-UHFFFAOYSA-N 1 2 334.847 3.448 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccc(F)c(C)c1)CC2 ZINC001035780244 1343190583 /nfs/dbraw/zinc/19/05/83/1343190583.db2.gz DCLMKEYWKBMJJY-UHFFFAOYSA-N 1 2 336.838 3.425 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC3(C[NH+](Cc4nc(C)oc4C)C3)CC2)C1 ZINC001035789075 1343200828 /nfs/dbraw/zinc/20/08/28/1343200828.db2.gz PRJKTEYWPKFUFW-UHFFFAOYSA-N 1 2 343.471 3.072 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1oc(C3CC3)nc1C)CC2 ZINC001035811873 1343211303 /nfs/dbraw/zinc/21/13/03/1343211303.db2.gz CZQZGEBRJLKDTG-UHFFFAOYSA-N 1 2 349.862 3.151 20 30 EGEDLO Cc1cccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)c1F ZINC001038290357 1344362254 /nfs/dbraw/zinc/36/22/54/1344362254.db2.gz YNKFNCAWHBXXHI-QGZVFWFLSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cccc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)c1F ZINC001038290357 1344362258 /nfs/dbraw/zinc/36/22/58/1344362258.db2.gz YNKFNCAWHBXXHI-QGZVFWFLSA-N 1 2 337.398 3.010 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1Cl ZINC001038345691 1344390028 /nfs/dbraw/zinc/39/00/28/1344390028.db2.gz REQXAZWGKISEKI-MRXNPFEDSA-N 1 2 343.858 3.332 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1Cl ZINC001038345691 1344390032 /nfs/dbraw/zinc/39/00/32/1344390032.db2.gz REQXAZWGKISEKI-MRXNPFEDSA-N 1 2 343.858 3.332 20 30 EGEDLO CC(C)c1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)cn1 ZINC001038349308 1344391565 /nfs/dbraw/zinc/39/15/65/1344391565.db2.gz KIOHSRDVDWVNJI-IBGZPJMESA-N 1 2 348.450 3.081 20 30 EGEDLO CC(C)c1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)cn1 ZINC001038349308 1344391569 /nfs/dbraw/zinc/39/15/69/1344391569.db2.gz KIOHSRDVDWVNJI-IBGZPJMESA-N 1 2 348.450 3.081 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)s1 ZINC001038541810 1344475226 /nfs/dbraw/zinc/47/52/26/1344475226.db2.gz XAWAWBKJHNJKEM-LVQVYYBASA-N 1 2 343.496 3.137 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)s1 ZINC001038541810 1344475230 /nfs/dbraw/zinc/47/52/30/1344475230.db2.gz XAWAWBKJHNJKEM-LVQVYYBASA-N 1 2 343.496 3.137 20 30 EGEDLO Cc1ccc(F)cc1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038570700 1344487060 /nfs/dbraw/zinc/48/70/60/1344487060.db2.gz FNKIZQYTJRNJAK-GOSISDBHSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1ccc(F)cc1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038570700 1344487062 /nfs/dbraw/zinc/48/70/62/1344487062.db2.gz FNKIZQYTJRNJAK-GOSISDBHSA-N 1 2 337.398 3.010 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2[C@@H](C)c2ccccc2F)cc1 ZINC001038580766 1344492216 /nfs/dbraw/zinc/49/22/16/1344492216.db2.gz CVIIMHNRKWMNGW-MAUKXSAKSA-N 1 2 336.410 3.372 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2[C@@H](C)c2ccccc2F)cc1 ZINC001038580766 1344492218 /nfs/dbraw/zinc/49/22/18/1344492218.db2.gz CVIIMHNRKWMNGW-MAUKXSAKSA-N 1 2 336.410 3.372 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(CC)n1 ZINC001039386050 1345039160 /nfs/dbraw/zinc/03/91/60/1345039160.db2.gz VIRYXQFGIZQBLN-CVEARBPZSA-N 1 2 333.863 3.075 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(CC)n1 ZINC001039386050 1345039163 /nfs/dbraw/zinc/03/91/63/1345039163.db2.gz VIRYXQFGIZQBLN-CVEARBPZSA-N 1 2 333.863 3.075 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2ccccc12 ZINC001039404161 1345050411 /nfs/dbraw/zinc/05/04/11/1345050411.db2.gz JTRKKTWHZUVSOO-CVEARBPZSA-N 1 2 343.858 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2ccccc12 ZINC001039404161 1345050412 /nfs/dbraw/zinc/05/04/12/1345050412.db2.gz JTRKKTWHZUVSOO-CVEARBPZSA-N 1 2 343.858 3.371 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)c(C)cn1 ZINC001039409151 1345053023 /nfs/dbraw/zinc/05/30/23/1345053023.db2.gz AOLRREILJBWATI-CVEARBPZSA-N 1 2 333.863 3.130 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)c(C)cn1 ZINC001039409151 1345053025 /nfs/dbraw/zinc/05/30/25/1345053025.db2.gz AOLRREILJBWATI-CVEARBPZSA-N 1 2 333.863 3.130 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C)c1CC ZINC001039437114 1345066948 /nfs/dbraw/zinc/06/69/48/1345066948.db2.gz AVSQXVDATNSHSV-CABCVRRESA-N 1 2 335.879 3.019 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C)c1CC ZINC001039437114 1345066951 /nfs/dbraw/zinc/06/69/51/1345066951.db2.gz AVSQXVDATNSHSV-CABCVRRESA-N 1 2 335.879 3.019 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1coc(CCC)n1 ZINC001039458717 1345077736 /nfs/dbraw/zinc/07/77/36/1345077736.db2.gz LLUBGGXCFPWVOL-KGLIPLIRSA-N 1 2 337.851 3.059 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1coc(CCC)n1 ZINC001039458717 1345077738 /nfs/dbraw/zinc/07/77/38/1345077738.db2.gz LLUBGGXCFPWVOL-KGLIPLIRSA-N 1 2 337.851 3.059 20 30 EGEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H](C)c1ccc(F)cc1 ZINC001039528338 1345131144 /nfs/dbraw/zinc/13/11/44/1345131144.db2.gz MRJWPMFROUHKBG-DFEHZGFQSA-N 1 2 329.419 3.112 20 30 EGEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H](C)c1ccc(F)cc1 ZINC001039528338 1345131147 /nfs/dbraw/zinc/13/11/47/1345131147.db2.gz MRJWPMFROUHKBG-DFEHZGFQSA-N 1 2 329.419 3.112 20 30 EGEDLO Cc1coc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccc(C#N)cc2)c1 ZINC001039857436 1345215117 /nfs/dbraw/zinc/21/51/17/1345215117.db2.gz YNMNYXDFQDCKSW-KDURUIRLSA-N 1 2 349.434 3.339 20 30 EGEDLO Cc1coc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)cc2)c1 ZINC001039857436 1345215123 /nfs/dbraw/zinc/21/51/23/1345215123.db2.gz YNMNYXDFQDCKSW-KDURUIRLSA-N 1 2 349.434 3.339 20 30 EGEDLO C[C@@H]1C[C@@H]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001039895402 1345238093 /nfs/dbraw/zinc/23/80/93/1345238093.db2.gz OQIVHJGGCSLJCD-WLRLJWMZSA-N 1 2 336.479 3.150 20 30 EGEDLO C[C@@H]1C[C@@H]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001039895402 1345238096 /nfs/dbraw/zinc/23/80/96/1345238096.db2.gz OQIVHJGGCSLJCD-WLRLJWMZSA-N 1 2 336.479 3.150 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@](C)(CNc2cc[nH+]c(C)n2)C1 ZINC001040349810 1345447950 /nfs/dbraw/zinc/44/79/50/1345447950.db2.gz MZIFMAWOKKJASN-MDASCCDHSA-N 1 2 330.476 3.284 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4ncccc4o3)C[C@@H]21 ZINC001042155572 1345957928 /nfs/dbraw/zinc/95/79/28/1345957928.db2.gz LDYOCVNOGKMWHY-HIFRSBDPSA-N 1 2 345.830 3.117 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc4ncccc4o3)C[C@@H]21 ZINC001042155572 1345957929 /nfs/dbraw/zinc/95/79/29/1345957929.db2.gz LDYOCVNOGKMWHY-HIFRSBDPSA-N 1 2 345.830 3.117 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](C/C(Cl)=C\Cl)[C@@H]2C1 ZINC001042181182 1345969561 /nfs/dbraw/zinc/96/95/61/1345969561.db2.gz DQJBIVOMVHGCDM-LACBQNOSSA-N 1 2 331.287 3.440 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](C/C(Cl)=C\Cl)[C@@H]2C1 ZINC001042181182 1345969559 /nfs/dbraw/zinc/96/95/59/1345969559.db2.gz DQJBIVOMVHGCDM-LACBQNOSSA-N 1 2 331.287 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3nc(Cl)cs3)C[C@H]21 ZINC001042196765 1345979406 /nfs/dbraw/zinc/97/94/06/1345979406.db2.gz RDZLOOFIKZCZJL-GHMZBOCLSA-N 1 2 346.283 3.085 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3nc(Cl)cs3)C[C@H]21 ZINC001042196765 1345979408 /nfs/dbraw/zinc/97/94/08/1345979408.db2.gz RDZLOOFIKZCZJL-GHMZBOCLSA-N 1 2 346.283 3.085 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4cscn4)[C@H]3C2)CC1 ZINC001042213203 1345988160 /nfs/dbraw/zinc/98/81/60/1345988160.db2.gz DSMWFNSRTJJFLJ-QAPCUYQASA-N 1 2 345.512 3.312 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cscn4)[C@H]3C2)CC1 ZINC001042213203 1345988166 /nfs/dbraw/zinc/98/81/66/1345988166.db2.gz DSMWFNSRTJJFLJ-QAPCUYQASA-N 1 2 345.512 3.312 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+](Cc2ccc(C(C)C)cc2)C1 ZINC001043902790 1346218953 /nfs/dbraw/zinc/21/89/53/1346218953.db2.gz OBIYDHARUNAGDW-UXHICEINSA-N 1 2 342.483 3.044 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncc(CC)o1 ZINC001045827337 1346710754 /nfs/dbraw/zinc/71/07/54/1346710754.db2.gz KZUYJWYWZOKXHI-CABCVRRESA-N 1 2 331.460 3.015 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncc(CC)o1 ZINC001045827337 1346710757 /nfs/dbraw/zinc/71/07/57/1346710757.db2.gz KZUYJWYWZOKXHI-CABCVRRESA-N 1 2 331.460 3.015 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncc(CC)o1 ZINC001045840822 1346716876 /nfs/dbraw/zinc/71/68/76/1346716876.db2.gz QOHICQKGAACTFU-GUXCAODWSA-N 1 2 345.487 3.405 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncc(CC)o1 ZINC001045840822 1346716877 /nfs/dbraw/zinc/71/68/77/1346716877.db2.gz QOHICQKGAACTFU-GUXCAODWSA-N 1 2 345.487 3.405 20 30 EGEDLO Cc1ccsc1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046103928 1346843259 /nfs/dbraw/zinc/84/32/59/1346843259.db2.gz GHUPOHNNEIMILZ-IBGZPJMESA-N 1 2 339.464 3.323 20 30 EGEDLO Cc1ccsc1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046103928 1346843261 /nfs/dbraw/zinc/84/32/61/1346843261.db2.gz GHUPOHNNEIMILZ-IBGZPJMESA-N 1 2 339.464 3.323 20 30 EGEDLO C[C@@]1(NC(=O)C2=CCCC2)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001046240041 1346905930 /nfs/dbraw/zinc/90/59/30/1346905930.db2.gz OOJZHIQOIFFGIC-HXUWFJFHSA-N 1 2 342.870 3.382 20 30 EGEDLO C[C@@]1(NC(=O)C2=CCCC2)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001046240041 1346905934 /nfs/dbraw/zinc/90/59/34/1346905934.db2.gz OOJZHIQOIFFGIC-HXUWFJFHSA-N 1 2 342.870 3.382 20 30 EGEDLO C[C@]1(NC(=O)c2sccc2F)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001046295654 1346925746 /nfs/dbraw/zinc/92/57/46/1346925746.db2.gz BXMXOHZMEPGBFC-INIZCTEOSA-N 1 2 349.456 3.215 20 30 EGEDLO C[C@]1(NC(=O)c2sccc2F)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001046295654 1346925748 /nfs/dbraw/zinc/92/57/48/1346925748.db2.gz BXMXOHZMEPGBFC-INIZCTEOSA-N 1 2 349.456 3.215 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(C)n([C@H](C)CC)n2)C1 ZINC001046432937 1346974491 /nfs/dbraw/zinc/97/44/91/1346974491.db2.gz SAYMWCLHTYTEMA-CXAGYDPISA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C)n([C@H](C)CC)n2)C1 ZINC001046432937 1346974492 /nfs/dbraw/zinc/97/44/92/1346974492.db2.gz SAYMWCLHTYTEMA-CXAGYDPISA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cccc3cccnc32)C1 ZINC001046458458 1346981001 /nfs/dbraw/zinc/98/10/01/1346981001.db2.gz PYTDXCBKJGUUQC-SFHVURJKSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cccc3cccnc32)C1 ZINC001046458458 1346981003 /nfs/dbraw/zinc/98/10/03/1346981003.db2.gz PYTDXCBKJGUUQC-SFHVURJKSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001046567084 1347020546 /nfs/dbraw/zinc/02/05/46/1347020546.db2.gz KAQDUJISCRCRCJ-KPZWWZAWSA-N 1 2 334.847 3.129 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001046567084 1347020547 /nfs/dbraw/zinc/02/05/47/1347020547.db2.gz KAQDUJISCRCRCJ-KPZWWZAWSA-N 1 2 334.847 3.129 20 30 EGEDLO C=C1CCC(C(=O)N[C@@]2(C)CC[N@@H+]([C@H](C)c3nnc(CC)o3)C2)CC1 ZINC001046594018 1347030457 /nfs/dbraw/zinc/03/04/57/1347030457.db2.gz CLEHBBJFDDJMHV-KUHUBIRLSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CCC(C(=O)N[C@@]2(C)CC[N@H+]([C@H](C)c3nnc(CC)o3)C2)CC1 ZINC001046594018 1347030460 /nfs/dbraw/zinc/03/04/60/1347030460.db2.gz CLEHBBJFDDJMHV-KUHUBIRLSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CCC(C(=O)N[C@@]2(C)CC[N@H+](Cc3ncc(C4CC4)o3)C2)CC1 ZINC001046594734 1347031154 /nfs/dbraw/zinc/03/11/54/1347031154.db2.gz OCYYYUPRPRHTRD-FQEVSTJZSA-N 1 2 343.471 3.379 20 30 EGEDLO C=C1CCC(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ncc(C4CC4)o3)C2)CC1 ZINC001046594734 1347031156 /nfs/dbraw/zinc/03/11/56/1347031156.db2.gz OCYYYUPRPRHTRD-FQEVSTJZSA-N 1 2 343.471 3.379 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC001046689886 1347063133 /nfs/dbraw/zinc/06/31/33/1347063133.db2.gz OFLJRVKLQXQFCT-CKEIUWERSA-N 1 2 338.904 3.493 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC001046689886 1347063136 /nfs/dbraw/zinc/06/31/36/1347063136.db2.gz OFLJRVKLQXQFCT-CKEIUWERSA-N 1 2 338.904 3.493 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001046698145 1347066262 /nfs/dbraw/zinc/06/62/62/1347066262.db2.gz COHSFTROACNYDO-YQVWRLOYSA-N 1 2 332.875 3.432 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001046698145 1347066264 /nfs/dbraw/zinc/06/62/64/1347066264.db2.gz COHSFTROACNYDO-YQVWRLOYSA-N 1 2 332.875 3.432 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cccc(-c3cnco3)c2)C1 ZINC001046742604 1347079591 /nfs/dbraw/zinc/07/95/91/1347079591.db2.gz RJDLGVQHRLGRPY-GOSISDBHSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(-c3cnco3)c2)C1 ZINC001046742604 1347079593 /nfs/dbraw/zinc/07/95/93/1347079593.db2.gz RJDLGVQHRLGRPY-GOSISDBHSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(C(F)(F)F)ccn2)C1 ZINC001046748484 1347081563 /nfs/dbraw/zinc/08/15/63/1347081563.db2.gz OUJUESJPOYNDAI-AWEZNQCLSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(C(F)(F)F)ccn2)C1 ZINC001046748484 1347081566 /nfs/dbraw/zinc/08/15/66/1347081566.db2.gz OUJUESJPOYNDAI-AWEZNQCLSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccccc2)C1 ZINC001046908672 1347148796 /nfs/dbraw/zinc/14/87/96/1347148796.db2.gz MHDFQJHTGLMPIP-AWEZNQCLSA-N 1 2 328.790 3.126 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccccc2)C1 ZINC001046908672 1347148797 /nfs/dbraw/zinc/14/87/97/1347148797.db2.gz MHDFQJHTGLMPIP-AWEZNQCLSA-N 1 2 328.790 3.126 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cscc2C)C1 ZINC001046929896 1347155665 /nfs/dbraw/zinc/15/56/65/1347155665.db2.gz VBMROCWWOFLTPN-LBPRGKRZSA-N 1 2 348.846 3.496 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cscc2C)C1 ZINC001046929896 1347155667 /nfs/dbraw/zinc/15/56/67/1347155667.db2.gz VBMROCWWOFLTPN-LBPRGKRZSA-N 1 2 348.846 3.496 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2coc3c2cccc3OC)C1 ZINC001079706062 1357351471 /nfs/dbraw/zinc/35/14/71/1357351471.db2.gz NGLRKZOENFJMSS-IAQYHMDHSA-N 1 2 348.830 3.244 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2coc3c2cccc3OC)C1 ZINC001079706062 1357351477 /nfs/dbraw/zinc/35/14/77/1357351477.db2.gz NGLRKZOENFJMSS-IAQYHMDHSA-N 1 2 348.830 3.244 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(CC)CC ZINC001049322965 1347790047 /nfs/dbraw/zinc/79/00/47/1347790047.db2.gz QQSCBPJJQAVTNR-GJZGRUSLSA-N 1 2 343.309 3.397 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(CC)CC ZINC001049322965 1347790048 /nfs/dbraw/zinc/79/00/48/1347790048.db2.gz QQSCBPJJQAVTNR-GJZGRUSLSA-N 1 2 343.309 3.397 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)C1CC1 ZINC001049404501 1347827592 /nfs/dbraw/zinc/82/75/92/1347827592.db2.gz RTRGDYYMCDPMLW-AEGPPILISA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)C1CC1 ZINC001049404501 1347827596 /nfs/dbraw/zinc/82/75/96/1347827596.db2.gz RTRGDYYMCDPMLW-AEGPPILISA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1nccn1CC ZINC001049633320 1347945065 /nfs/dbraw/zinc/94/50/65/1347945065.db2.gz JFYZUNBODOPVOE-SJORKVTESA-N 1 2 344.503 3.071 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1nccn1CC ZINC001049633320 1347945067 /nfs/dbraw/zinc/94/50/67/1347945067.db2.gz JFYZUNBODOPVOE-SJORKVTESA-N 1 2 344.503 3.071 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(OC)cs1 ZINC001049633521 1347945183 /nfs/dbraw/zinc/94/51/83/1347945183.db2.gz JMLOBTWCLDIOAK-ZIAGYGMSSA-N 1 2 340.876 3.188 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(OC)cs1 ZINC001049633521 1347945186 /nfs/dbraw/zinc/94/51/86/1347945186.db2.gz JMLOBTWCLDIOAK-ZIAGYGMSSA-N 1 2 340.876 3.188 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ncc(CC)o1 ZINC001049633937 1347945795 /nfs/dbraw/zinc/94/57/95/1347945795.db2.gz NYHFCANILKURFR-IRXDYDNUSA-N 1 2 345.487 3.405 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ncc(CC)o1 ZINC001049633937 1347945798 /nfs/dbraw/zinc/94/57/98/1347945798.db2.gz NYHFCANILKURFR-IRXDYDNUSA-N 1 2 345.487 3.405 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cnoc1C(C)C ZINC001049821364 1348038915 /nfs/dbraw/zinc/03/89/15/1348038915.db2.gz WXHNMIKKWNJQDZ-GJZGRUSLSA-N 1 2 337.851 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cnoc1C(C)C ZINC001049821364 1348038918 /nfs/dbraw/zinc/03/89/18/1348038918.db2.gz WXHNMIKKWNJQDZ-GJZGRUSLSA-N 1 2 337.851 3.229 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccc(C(C)(C)C)c1)O2 ZINC001053678424 1349091184 /nfs/dbraw/zinc/09/11/84/1349091184.db2.gz YYDJJVFORNSYLD-SFHVURJKSA-N 1 2 342.483 3.133 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C1CCC(C(C)(C)C)CC1)CO2 ZINC001053999751 1349129940 /nfs/dbraw/zinc/12/99/40/1349129940.db2.gz MTYMVEUHBKEEDC-ABHNRTSZSA-N 1 2 348.531 3.375 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc(Cl)cs3)cc2C1 ZINC001054284524 1349286337 /nfs/dbraw/zinc/28/63/37/1349286337.db2.gz WGQUAKRYNNCMKX-UHFFFAOYSA-N 1 2 330.840 3.280 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc(Cl)cs3)cc2C1 ZINC001054284524 1349286342 /nfs/dbraw/zinc/28/63/42/1349286342.db2.gz WGQUAKRYNNCMKX-UHFFFAOYSA-N 1 2 330.840 3.280 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(-c3ccccc3)on2)C1 ZINC001080088244 1357481891 /nfs/dbraw/zinc/48/18/91/1357481891.db2.gz MIUIHGCURBDXET-MLGOLLRUSA-N 1 2 345.830 3.144 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(-c3ccccc3)on2)C1 ZINC001080088244 1357481893 /nfs/dbraw/zinc/48/18/93/1357481893.db2.gz MIUIHGCURBDXET-MLGOLLRUSA-N 1 2 345.830 3.144 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2C[C@H](Nc3cc(C)[nH+]c(C4CC4)n3)C2)CC1 ZINC001059398241 1350461700 /nfs/dbraw/zinc/46/17/00/1350461700.db2.gz POSSUEOAWWBHII-QAQDUYKDSA-N 1 2 340.471 3.468 20 30 EGEDLO Cc1cc(NC[C@@H]2CCCCN2C(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001060247751 1350794418 /nfs/dbraw/zinc/79/44/18/1350794418.db2.gz KUTUQINCNRJTDC-KRWDZBQOSA-N 1 2 340.471 3.115 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@H]1CCC1(C)C ZINC001080286178 1357553888 /nfs/dbraw/zinc/55/38/88/1357553888.db2.gz CRGPOFUCFXFSAO-FSPWUOQZSA-N 1 2 343.446 3.070 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@H]1CCC1(C)C ZINC001080286178 1357553891 /nfs/dbraw/zinc/55/38/91/1357553891.db2.gz CRGPOFUCFXFSAO-FSPWUOQZSA-N 1 2 343.446 3.070 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(c3cccnc3)CCCC2)C1 ZINC001080343787 1357580501 /nfs/dbraw/zinc/58/05/01/1357580501.db2.gz XBVWQRSREANBQW-RHSMWYFYSA-N 1 2 347.890 3.082 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(c3cccnc3)CCCC2)C1 ZINC001080343787 1357580504 /nfs/dbraw/zinc/58/05/04/1357580504.db2.gz XBVWQRSREANBQW-RHSMWYFYSA-N 1 2 347.890 3.082 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)cc2C)C1 ZINC001080377347 1357593404 /nfs/dbraw/zinc/59/34/04/1357593404.db2.gz MOJHUIXVGHYHPU-IAQYHMDHSA-N 1 2 327.255 3.451 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)cc2C)C1 ZINC001080377347 1357593408 /nfs/dbraw/zinc/59/34/08/1357593408.db2.gz MOJHUIXVGHYHPU-IAQYHMDHSA-N 1 2 327.255 3.451 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001080379525 1357594846 /nfs/dbraw/zinc/59/48/46/1357594846.db2.gz DMJBXKGEYSDKDB-IAQYHMDHSA-N 1 2 327.255 3.451 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001080379525 1357594849 /nfs/dbraw/zinc/59/48/49/1357594849.db2.gz DMJBXKGEYSDKDB-IAQYHMDHSA-N 1 2 327.255 3.451 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3cnc(Cl)s3)C[C@H]2C)C1 ZINC001080404305 1357608552 /nfs/dbraw/zinc/60/85/52/1357608552.db2.gz BTNNBNNTPAGOMV-DGCLKSJQSA-N 1 2 339.892 3.089 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3cnc(Cl)s3)C[C@H]2C)C1 ZINC001080404305 1357608553 /nfs/dbraw/zinc/60/85/53/1357608553.db2.gz BTNNBNNTPAGOMV-DGCLKSJQSA-N 1 2 339.892 3.089 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001080469753 1357631959 /nfs/dbraw/zinc/63/19/59/1357631959.db2.gz ZCCUCTWHSXOMHX-PIGZYNQJSA-N 1 2 333.863 3.070 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001080469753 1357631963 /nfs/dbraw/zinc/63/19/63/1357631963.db2.gz ZCCUCTWHSXOMHX-PIGZYNQJSA-N 1 2 333.863 3.070 20 30 EGEDLO C=C[C@H](C(=O)N1CCC[C@H]1CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001064917208 1352711826 /nfs/dbraw/zinc/71/18/26/1352711826.db2.gz BBDXDCXNFTXBMM-ROUUACIJSA-N 1 2 336.439 3.158 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(F)cc3cccnc32)C1 ZINC001080548443 1357672258 /nfs/dbraw/zinc/67/22/58/1357672258.db2.gz VRXUKHFEGWMUAL-BDJLRTHQSA-N 1 2 347.821 3.177 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(F)cc3cccnc32)C1 ZINC001080548443 1357672260 /nfs/dbraw/zinc/67/22/60/1357672260.db2.gz VRXUKHFEGWMUAL-BDJLRTHQSA-N 1 2 347.821 3.177 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC001066782758 1353216883 /nfs/dbraw/zinc/21/68/83/1353216883.db2.gz POJGHWBIVGFGPM-QGZVFWFLSA-N 1 2 328.460 3.007 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]2CC1 ZINC001067457330 1353403325 /nfs/dbraw/zinc/40/33/25/1353403325.db2.gz DRNSROMJBUJXLR-CALCHBBNSA-N 1 2 342.487 3.062 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@@H](CNc3cc[nH+]c(C)n3)C[C@H]2C)CC1 ZINC001068369224 1353707009 /nfs/dbraw/zinc/70/70/09/1353707009.db2.gz GSZUJVGDMLESSU-GDBMZVCRSA-N 1 2 328.460 3.180 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC(N(C)c3nc(C)[nH+]c(C)c3C)CC2)C1 ZINC001068725091 1353767979 /nfs/dbraw/zinc/76/79/79/1353767979.db2.gz ICELDHWKCBFQSR-UHFFFAOYSA-N 1 2 342.487 3.185 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnoc2-c2ccccc2)C1 ZINC001080698947 1357723241 /nfs/dbraw/zinc/72/32/41/1357723241.db2.gz PBVYUFJZIOJIDG-MLGOLLRUSA-N 1 2 345.830 3.144 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnoc2-c2ccccc2)C1 ZINC001080698947 1357723244 /nfs/dbraw/zinc/72/32/44/1357723244.db2.gz PBVYUFJZIOJIDG-MLGOLLRUSA-N 1 2 345.830 3.144 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)c2ccco2)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001071312031 1354571315 /nfs/dbraw/zinc/57/13/15/1354571315.db2.gz FJPNPCIXWZZXSA-BBRMVZONSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)c2ccco2)C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001071312031 1354571319 /nfs/dbraw/zinc/57/13/19/1354571319.db2.gz FJPNPCIXWZZXSA-BBRMVZONSA-N 1 2 341.386 3.073 20 30 EGEDLO Cc1occc1C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001071340274 1354606501 /nfs/dbraw/zinc/60/65/01/1354606501.db2.gz MGYHDXKJAPZKCM-KDOFPFPSSA-N 1 2 337.423 3.243 20 30 EGEDLO Cc1occc1C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001071340274 1354606504 /nfs/dbraw/zinc/60/65/04/1354606504.db2.gz MGYHDXKJAPZKCM-KDOFPFPSSA-N 1 2 337.423 3.243 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3ccccc3C#N)C2)cn1 ZINC001071344409 1354611041 /nfs/dbraw/zinc/61/10/41/1354611041.db2.gz BJHUJJSQYHVONO-OXQOHEQNSA-N 1 2 348.450 3.045 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3ccccc3C#N)C2)cn1 ZINC001071344409 1354611046 /nfs/dbraw/zinc/61/10/46/1354611046.db2.gz BJHUJJSQYHVONO-OXQOHEQNSA-N 1 2 348.450 3.045 20 30 EGEDLO Cc1ccoc1C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC#Cc2ccccc2)C1 ZINC001071352082 1354621026 /nfs/dbraw/zinc/62/10/26/1354621026.db2.gz MUPWRRXETLCFMP-HKUYNNGSSA-N 1 2 336.435 3.222 20 30 EGEDLO Cc1ccoc1C(=O)N[C@H]1CC[C@H](C)[N@H+](CC#Cc2ccccc2)C1 ZINC001071352082 1354621030 /nfs/dbraw/zinc/62/10/30/1354621030.db2.gz MUPWRRXETLCFMP-HKUYNNGSSA-N 1 2 336.435 3.222 20 30 EGEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2scnc2C2CCCC2)CC[C@@H]1C ZINC001071653246 1354828873 /nfs/dbraw/zinc/82/88/73/1354828873.db2.gz VKNRPBDHCBKCHS-ZFWWWQNUSA-N 1 2 331.485 3.017 20 30 EGEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2scnc2C2CCCC2)CC[C@@H]1C ZINC001071653246 1354828879 /nfs/dbraw/zinc/82/88/79/1354828879.db2.gz VKNRPBDHCBKCHS-ZFWWWQNUSA-N 1 2 331.485 3.017 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2noc3ccccc23)CC[C@@H]1C ZINC001071662324 1354834322 /nfs/dbraw/zinc/83/43/22/1354834322.db2.gz CCGBSHRNTWKDHL-KBPBESRZSA-N 1 2 347.846 3.092 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2noc3ccccc23)CC[C@@H]1C ZINC001071662324 1354834325 /nfs/dbraw/zinc/83/43/25/1354834325.db2.gz CCGBSHRNTWKDHL-KBPBESRZSA-N 1 2 347.846 3.092 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C)c(OC)c2)CC[C@H]1C ZINC001071664058 1354836103 /nfs/dbraw/zinc/83/61/03/1354836103.db2.gz XGPNZVOOOMKLDY-ZBFHGGJFSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc(C)c(OC)c2)CC[C@H]1C ZINC001071664058 1354836107 /nfs/dbraw/zinc/83/61/07/1354836107.db2.gz XGPNZVOOOMKLDY-ZBFHGGJFSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc3c(cn2)CCCC3)CC[C@H]1C ZINC001071665736 1354837072 /nfs/dbraw/zinc/83/70/72/1354837072.db2.gz HMJSLZNQZHPVCV-RHSMWYFYSA-N 1 2 347.890 3.296 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc3c(cn2)CCCC3)CC[C@H]1C ZINC001071665736 1354837074 /nfs/dbraw/zinc/83/70/74/1354837074.db2.gz HMJSLZNQZHPVCV-RHSMWYFYSA-N 1 2 347.890 3.296 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccn3ccccc23)CC[C@@H]1C ZINC001071679798 1354847970 /nfs/dbraw/zinc/84/79/70/1354847970.db2.gz ORKOGHGUKTXHBQ-LSDHHAIUSA-N 1 2 331.847 3.275 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccn3ccccc23)CC[C@@H]1C ZINC001071679798 1354847973 /nfs/dbraw/zinc/84/79/73/1354847973.db2.gz ORKOGHGUKTXHBQ-LSDHHAIUSA-N 1 2 331.847 3.275 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2cc(F)ccc2F)CC[C@@H]1C ZINC001071776573 1354924012 /nfs/dbraw/zinc/92/40/12/1354924012.db2.gz VOKCANVCXCVTSG-SWLSCSKDSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2cc(F)ccc2F)CC[C@@H]1C ZINC001071776573 1354924016 /nfs/dbraw/zinc/92/40/16/1354924016.db2.gz VOKCANVCXCVTSG-SWLSCSKDSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc(-c3ccco3)n[nH]2)CC[C@H]1C ZINC001071841487 1354973523 /nfs/dbraw/zinc/97/35/23/1354973523.db2.gz WWOCWCVGXIYRIL-CHWSQXEVSA-N 1 2 348.834 3.005 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc(-c3ccco3)n[nH]2)CC[C@H]1C ZINC001071841487 1354973527 /nfs/dbraw/zinc/97/35/27/1354973527.db2.gz WWOCWCVGXIYRIL-CHWSQXEVSA-N 1 2 348.834 3.005 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc(-c3ccco3)n[nH]2)CC[C@@H]1C ZINC001071841489 1354973620 /nfs/dbraw/zinc/97/36/20/1354973620.db2.gz WWOCWCVGXIYRIL-QWHCGFSZSA-N 1 2 348.834 3.005 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc(-c3ccco3)n[nH]2)CC[C@@H]1C ZINC001071841489 1354973624 /nfs/dbraw/zinc/97/36/24/1354973624.db2.gz WWOCWCVGXIYRIL-QWHCGFSZSA-N 1 2 348.834 3.005 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cccc(OCC)c2)CC[C@H]1C ZINC001071854454 1354982926 /nfs/dbraw/zinc/98/29/26/1354982926.db2.gz ADEWSOGCIMMJLF-ZBFHGGJFSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cccc(OCC)c2)CC[C@H]1C ZINC001071854454 1354982938 /nfs/dbraw/zinc/98/29/38/1354982938.db2.gz ADEWSOGCIMMJLF-ZBFHGGJFSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc3ccccn3c2)CC[C@@H]1C ZINC001071859612 1354987378 /nfs/dbraw/zinc/98/73/78/1354987378.db2.gz AULZHCMYAGSKLL-GOEBONIOSA-N 1 2 331.847 3.275 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc3ccccn3c2)CC[C@@H]1C ZINC001071859612 1354987381 /nfs/dbraw/zinc/98/73/81/1354987381.db2.gz AULZHCMYAGSKLL-GOEBONIOSA-N 1 2 331.847 3.275 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2ccsc2C)CC[C@H]1C ZINC001071870724 1354996251 /nfs/dbraw/zinc/99/62/51/1354996251.db2.gz CNNXPPJBSNTNDT-IUODEOHRSA-N 1 2 326.893 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2ccsc2C)CC[C@H]1C ZINC001071870724 1354996257 /nfs/dbraw/zinc/99/62/57/1354996257.db2.gz CNNXPPJBSNTNDT-IUODEOHRSA-N 1 2 326.893 3.321 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)COC3)CC[C@@H]1C ZINC001071886641 1355006242 /nfs/dbraw/zinc/00/62/42/1355006242.db2.gz HMZHBSBHMJKVNO-GUYCJALGSA-N 1 2 334.847 3.052 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)COC3)CC[C@@H]1C ZINC001071886641 1355006246 /nfs/dbraw/zinc/00/62/46/1355006246.db2.gz HMZHBSBHMJKVNO-GUYCJALGSA-N 1 2 334.847 3.052 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cncc(Cl)c2)CC[C@H]1C ZINC001071890637 1355008399 /nfs/dbraw/zinc/00/83/99/1355008399.db2.gz PFHINKSPMXATHV-RISCZKNCSA-N 1 2 328.243 3.070 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cncc(Cl)c2)CC[C@H]1C ZINC001071890637 1355008395 /nfs/dbraw/zinc/00/83/95/1355008395.db2.gz PFHINKSPMXATHV-RISCZKNCSA-N 1 2 328.243 3.070 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)N(C)CC3)CC[C@@H]1C ZINC001072040506 1355096542 /nfs/dbraw/zinc/09/65/42/1355096542.db2.gz LEHOYYTYPAGEEL-YOEHRIQHSA-N 1 2 347.890 3.014 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)N(C)CC3)CC[C@@H]1C ZINC001072040506 1355096546 /nfs/dbraw/zinc/09/65/46/1355096546.db2.gz LEHOYYTYPAGEEL-YOEHRIQHSA-N 1 2 347.890 3.014 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc(F)cc2F)CC[C@@H]1C ZINC001072041345 1355098868 /nfs/dbraw/zinc/09/88/68/1355098868.db2.gz WZJQYWGDFAJFDK-WCQYABFASA-N 1 2 328.790 3.300 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc(F)cc2F)CC[C@@H]1C ZINC001072041345 1355098871 /nfs/dbraw/zinc/09/88/71/1355098871.db2.gz WZJQYWGDFAJFDK-WCQYABFASA-N 1 2 328.790 3.300 20 30 EGEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(CCC)s3)C[C@H]21 ZINC001074255732 1356145344 /nfs/dbraw/zinc/14/53/44/1356145344.db2.gz IZHPLSOWNTZZHZ-IAGOWNOFSA-N 1 2 348.512 3.192 20 30 EGEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(CCC)s3)C[C@H]21 ZINC001074255732 1356145347 /nfs/dbraw/zinc/14/53/47/1356145347.db2.gz IZHPLSOWNTZZHZ-IAGOWNOFSA-N 1 2 348.512 3.192 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C3(CC)CCCCC3)C[C@@H]21 ZINC001074409936 1356195541 /nfs/dbraw/zinc/19/55/41/1356195541.db2.gz KBHDTTAOCBPYRN-ROUUACIJSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C3(CC)CCCCC3)C[C@@H]21 ZINC001074409936 1356195542 /nfs/dbraw/zinc/19/55/42/1356195542.db2.gz KBHDTTAOCBPYRN-ROUUACIJSA-N 1 2 334.504 3.225 20 30 EGEDLO C=CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC(=C)Cl)C[C@H]32)cc1 ZINC001075959810 1356456619 /nfs/dbraw/zinc/45/66/19/1356456619.db2.gz ONXDKVKCMPFBGZ-FUHWJXTLSA-N 1 2 346.858 3.150 20 30 EGEDLO C=CCOc1ccc(C(=O)N2CC[C@H]3C[N@H+](CC(=C)Cl)C[C@H]32)cc1 ZINC001075959810 1356456621 /nfs/dbraw/zinc/45/66/21/1356456621.db2.gz ONXDKVKCMPFBGZ-FUHWJXTLSA-N 1 2 346.858 3.150 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C)cc(OC)c3C)[C@@H]2C1 ZINC001075992037 1356462352 /nfs/dbraw/zinc/46/23/52/1356462352.db2.gz GORRAUQIXQUMMK-DOTOQJQBSA-N 1 2 348.874 3.211 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C)cc(OC)c3C)[C@@H]2C1 ZINC001075992037 1356462354 /nfs/dbraw/zinc/46/23/54/1356462354.db2.gz GORRAUQIXQUMMK-DOTOQJQBSA-N 1 2 348.874 3.211 20 30 EGEDLO C=CCCO[C@H](C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(=C)Cl ZINC001098960351 1363542305 /nfs/dbraw/zinc/54/23/05/1363542305.db2.gz MZYVXOLWKVWKCY-HZPDHXFCSA-N 1 2 342.911 3.327 20 30 EGEDLO C=CCCO[C@H](C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC(=C)Cl ZINC001098960351 1363542306 /nfs/dbraw/zinc/54/23/06/1363542306.db2.gz MZYVXOLWKVWKCY-HZPDHXFCSA-N 1 2 342.911 3.327 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001080891488 1357759680 /nfs/dbraw/zinc/75/96/80/1357759680.db2.gz NPLILJHDRHLYLE-FZKQIMNGSA-N 1 2 332.875 3.368 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001080891488 1357759682 /nfs/dbraw/zinc/75/96/82/1357759682.db2.gz NPLILJHDRHLYLE-FZKQIMNGSA-N 1 2 332.875 3.368 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(OCC3CC3)cc2)C1 ZINC001080965937 1357771117 /nfs/dbraw/zinc/77/11/17/1357771117.db2.gz AACGSOKIPQLNQJ-FZKQIMNGSA-N 1 2 348.874 3.278 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(OCC3CC3)cc2)C1 ZINC001080965937 1357771121 /nfs/dbraw/zinc/77/11/21/1357771121.db2.gz AACGSOKIPQLNQJ-FZKQIMNGSA-N 1 2 348.874 3.278 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084590216 1358249235 /nfs/dbraw/zinc/24/92/35/1358249235.db2.gz BCFNLYVTFCQXCB-GUDVDZBRSA-N 1 2 337.467 3.027 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084590216 1358249237 /nfs/dbraw/zinc/24/92/37/1358249237.db2.gz BCFNLYVTFCQXCB-GUDVDZBRSA-N 1 2 337.467 3.027 20 30 EGEDLO CCC(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084622706 1358259129 /nfs/dbraw/zinc/25/91/29/1358259129.db2.gz GWYHHRPRWGACRL-SJLPKXTDSA-N 1 2 343.446 3.166 20 30 EGEDLO CCC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084622706 1358259132 /nfs/dbraw/zinc/25/91/32/1358259132.db2.gz GWYHHRPRWGACRL-SJLPKXTDSA-N 1 2 343.446 3.166 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](CC=C(Cl)Cl)C[C@H]21 ZINC001084634803 1358263542 /nfs/dbraw/zinc/26/35/42/1358263542.db2.gz FGPMVAYNQFBQHO-XJKCOSOUSA-N 1 2 331.287 3.440 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](CC=C(Cl)Cl)C[C@H]21 ZINC001084634803 1358263545 /nfs/dbraw/zinc/26/35/45/1358263545.db2.gz FGPMVAYNQFBQHO-XJKCOSOUSA-N 1 2 331.287 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)c3cccc(F)c3)[C@@H]2C1 ZINC001084842464 1358325901 /nfs/dbraw/zinc/32/59/01/1358325901.db2.gz QGORZBXLABTUBD-YSVLISHTSA-N 1 2 336.838 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)c3cccc(F)c3)[C@@H]2C1 ZINC001084842464 1358325904 /nfs/dbraw/zinc/32/59/04/1358325904.db2.gz QGORZBXLABTUBD-YSVLISHTSA-N 1 2 336.838 3.214 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)C1C(C)(C)C1(C)C ZINC001085537162 1358574859 /nfs/dbraw/zinc/57/48/59/1358574859.db2.gz RMTQKVPSOKPRRD-KRWDZBQOSA-N 1 2 339.483 3.273 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)C1C(C)(C)C1(C)C ZINC001085537162 1358574860 /nfs/dbraw/zinc/57/48/60/1358574860.db2.gz RMTQKVPSOKPRRD-KRWDZBQOSA-N 1 2 339.483 3.273 20 30 EGEDLO CCc1occc1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001085571562 1358604021 /nfs/dbraw/zinc/60/40/21/1358604021.db2.gz GSJSFRSHSSDYRT-CYBMUJFWSA-N 1 2 343.452 3.122 20 30 EGEDLO CCc1occc1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001085571562 1358604023 /nfs/dbraw/zinc/60/40/23/1358604023.db2.gz GSJSFRSHSSDYRT-CYBMUJFWSA-N 1 2 343.452 3.122 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)C1CC2(CCC2)C1 ZINC001085767089 1358743405 /nfs/dbraw/zinc/74/34/05/1358743405.db2.gz YUJLEFASUUTYOL-OAHLLOKOSA-N 1 2 343.496 3.233 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)C1CC2(CCC2)C1 ZINC001085767089 1358743412 /nfs/dbraw/zinc/74/34/12/1358743412.db2.gz YUJLEFASUUTYOL-OAHLLOKOSA-N 1 2 343.496 3.233 20 30 EGEDLO CCn1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2CC#Cc2ccccc2)c1C ZINC001085780625 1358755813 /nfs/dbraw/zinc/75/58/13/1358755813.db2.gz YNBPRMFOTHXCIF-HXUWFJFHSA-N 1 2 349.478 3.014 20 30 EGEDLO CCn1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2CC#Cc2ccccc2)c1C ZINC001085780625 1358755814 /nfs/dbraw/zinc/75/58/14/1358755814.db2.gz YNBPRMFOTHXCIF-HXUWFJFHSA-N 1 2 349.478 3.014 20 30 EGEDLO CCc1ccccc1C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001085787379 1358761968 /nfs/dbraw/zinc/76/19/68/1358761968.db2.gz NCOMHXZFZPORGI-OAQYLSRUSA-N 1 2 346.474 3.447 20 30 EGEDLO CCc1ccccc1C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001085787379 1358761972 /nfs/dbraw/zinc/76/19/72/1358761972.db2.gz NCOMHXZFZPORGI-OAQYLSRUSA-N 1 2 346.474 3.447 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@]12C[C@H]1CCCC2 ZINC001085807286 1358784408 /nfs/dbraw/zinc/78/44/08/1358784408.db2.gz CRGMOPBATMGTBK-SVFBPWRDSA-N 1 2 337.467 3.171 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@]12C[C@H]1CCCC2 ZINC001085807286 1358784409 /nfs/dbraw/zinc/78/44/09/1358784409.db2.gz CRGMOPBATMGTBK-SVFBPWRDSA-N 1 2 337.467 3.171 20 30 EGEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(-c2ccco2)s1 ZINC001085903221 1358862998 /nfs/dbraw/zinc/86/29/98/1358862998.db2.gz ZQIQIZBPQJIHLR-AWEZNQCLSA-N 1 2 328.437 3.178 20 30 EGEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(-c2ccco2)s1 ZINC001085903221 1358863001 /nfs/dbraw/zinc/86/30/01/1358863001.db2.gz ZQIQIZBPQJIHLR-AWEZNQCLSA-N 1 2 328.437 3.178 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)C1CCC=CCC1 ZINC001085976093 1358930649 /nfs/dbraw/zinc/93/06/49/1358930649.db2.gz NOCQZLBPJYLZEF-MRXNPFEDSA-N 1 2 343.496 3.399 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)C1CCC=CCC1 ZINC001085976093 1358930650 /nfs/dbraw/zinc/93/06/50/1358930650.db2.gz NOCQZLBPJYLZEF-MRXNPFEDSA-N 1 2 343.496 3.399 20 30 EGEDLO COc1c(C)c[nH+]c(CSCC(=O)Nc2cccc(C#N)c2)c1C ZINC001323492757 1387377849 /nfs/dbraw/zinc/37/78/49/1387377849.db2.gz QUMGWHUNXFNDJY-UHFFFAOYSA-N 1 2 341.436 3.451 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccc(C)o2)[C@H]1CC ZINC001087495041 1359495554 /nfs/dbraw/zinc/49/55/54/1359495554.db2.gz OVXGOLFVYHHOHP-QWHCGFSZSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)o2)[C@H]1CC ZINC001087495041 1359495556 /nfs/dbraw/zinc/49/55/56/1359495556.db2.gz OVXGOLFVYHHOHP-QWHCGFSZSA-N 1 2 341.249 3.079 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC2(C)C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087545014 1359524696 /nfs/dbraw/zinc/52/46/96/1359524696.db2.gz MHLXANRHWWTLEO-OKZBNKHCSA-N 1 2 343.446 3.213 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC2(C)C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087545014 1359524697 /nfs/dbraw/zinc/52/46/97/1359524697.db2.gz MHLXANRHWWTLEO-OKZBNKHCSA-N 1 2 343.446 3.213 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C(F)=C2CCCC2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088521632 1359956276 /nfs/dbraw/zinc/95/62/76/1359956276.db2.gz XBFOKMLBQXFDLU-KDOFPFPSSA-N 1 2 341.430 3.435 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C(F)=C2CCCC2)CC[N@H+]1Cc1ccccc1C#N ZINC001088521632 1359956278 /nfs/dbraw/zinc/95/62/78/1359956278.db2.gz XBFOKMLBQXFDLU-KDOFPFPSSA-N 1 2 341.430 3.435 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3cc(F)ccc3[nH]2)[C@H]1C ZINC001088785524 1360043880 /nfs/dbraw/zinc/04/38/80/1360043880.db2.gz KLOYRRTUEBXLII-RISCZKNCSA-N 1 2 335.810 3.252 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3cc(F)ccc3[nH]2)[C@H]1C ZINC001088785524 1360043887 /nfs/dbraw/zinc/04/38/87/1360043887.db2.gz KLOYRRTUEBXLII-RISCZKNCSA-N 1 2 335.810 3.252 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)cs3)[C@@H]2C)CC1 ZINC001088835341 1360070322 /nfs/dbraw/zinc/07/03/22/1360070322.db2.gz QMVFFYWSHUDHGI-ZBFHGGJFSA-N 1 2 333.501 3.277 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)cs3)[C@@H]2C)CC1 ZINC001088835341 1360070325 /nfs/dbraw/zinc/07/03/25/1360070325.db2.gz QMVFFYWSHUDHGI-ZBFHGGJFSA-N 1 2 333.501 3.277 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(N3CCCC3)c2)[C@H]1C ZINC001088939717 1360108492 /nfs/dbraw/zinc/10/84/92/1360108492.db2.gz FYRSMZGHMIUAKH-QAPCUYQASA-N 1 2 347.890 3.232 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(N3CCCC3)c2)[C@H]1C ZINC001088939717 1360108496 /nfs/dbraw/zinc/10/84/96/1360108496.db2.gz FYRSMZGHMIUAKH-QAPCUYQASA-N 1 2 347.890 3.232 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ncccc2C(F)(F)F)[C@H]1C ZINC001088956351 1360113955 /nfs/dbraw/zinc/11/39/55/1360113955.db2.gz MNHJOOZDYODRTC-PWSUYJOCSA-N 1 2 347.768 3.046 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ncccc2C(F)(F)F)[C@H]1C ZINC001088956351 1360113959 /nfs/dbraw/zinc/11/39/59/1360113959.db2.gz MNHJOOZDYODRTC-PWSUYJOCSA-N 1 2 347.768 3.046 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](C)N(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001089128804 1360190530 /nfs/dbraw/zinc/19/05/30/1360190530.db2.gz HEEIDOHKEVZACL-GDBMZVCRSA-N 1 2 328.460 3.102 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[C@@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089147786 1360203729 /nfs/dbraw/zinc/20/37/29/1360203729.db2.gz UXFPRKUWGMDBQH-DYVFJYSZSA-N 1 2 344.503 3.478 20 30 EGEDLO C=C(Br)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CCC1 ZINC001089601416 1360524691 /nfs/dbraw/zinc/52/46/91/1360524691.db2.gz WWZWAALIBMRSSQ-AWEZNQCLSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CCC1 ZINC001089601416 1360524694 /nfs/dbraw/zinc/52/46/94/1360524694.db2.gz WWZWAALIBMRSSQ-AWEZNQCLSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cccc(C)n1 ZINC001089611079 1360533508 /nfs/dbraw/zinc/53/35/08/1360533508.db2.gz ONSMSURQCSBTDN-HNNXBMFYSA-N 1 2 335.879 3.363 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cccc(C)n1 ZINC001089611079 1360533510 /nfs/dbraw/zinc/53/35/10/1360533510.db2.gz ONSMSURQCSBTDN-HNNXBMFYSA-N 1 2 335.879 3.363 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccncc1C ZINC001089634663 1360550843 /nfs/dbraw/zinc/55/08/43/1360550843.db2.gz FJYSDMXIXIIBFR-HNNXBMFYSA-N 1 2 335.879 3.363 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccncc1C ZINC001089634663 1360550846 /nfs/dbraw/zinc/55/08/46/1360550846.db2.gz FJYSDMXIXIIBFR-HNNXBMFYSA-N 1 2 335.879 3.363 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccsn1 ZINC001089659073 1360570719 /nfs/dbraw/zinc/57/07/19/1360570719.db2.gz RZSRKFYSCODPDE-LBPRGKRZSA-N 1 2 327.881 3.116 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccsn1 ZINC001089659073 1360570721 /nfs/dbraw/zinc/57/07/21/1360570721.db2.gz RZSRKFYSCODPDE-LBPRGKRZSA-N 1 2 327.881 3.116 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC001089719630 1360621742 /nfs/dbraw/zinc/62/17/42/1360621742.db2.gz HYGMFKONOKSRCJ-OAHLLOKOSA-N 1 2 349.906 3.476 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC001089719630 1360621746 /nfs/dbraw/zinc/62/17/46/1360621746.db2.gz HYGMFKONOKSRCJ-OAHLLOKOSA-N 1 2 349.906 3.476 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001090237874 1360870778 /nfs/dbraw/zinc/87/07/78/1360870778.db2.gz ZDKXHXTVNBRWOT-RDJZCZTQSA-N 1 2 340.471 3.257 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H](CNc2cc[nH+]c(C)n2)[C@H](C)C1 ZINC001090282918 1360887218 /nfs/dbraw/zinc/88/72/18/1360887218.db2.gz YMNSNXTYAZLMKY-ZBFHGGJFSA-N 1 2 330.476 3.284 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@H]2C)CCC1 ZINC001090828403 1360941168 /nfs/dbraw/zinc/94/11/68/1360941168.db2.gz UZUMGQPCISNOFH-CXAGYDPISA-N 1 2 342.487 3.089 20 30 EGEDLO CC#CCCCC(=O)NC[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001091393643 1361078946 /nfs/dbraw/zinc/07/89/46/1361078946.db2.gz WNXWNNNQCJETOE-CALCHBBNSA-N 1 2 342.487 3.409 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)CC(C)(C)C1 ZINC001092087135 1361297393 /nfs/dbraw/zinc/29/73/93/1361297393.db2.gz APRJNUYNIHJMCT-HNNXBMFYSA-N 1 2 330.476 3.108 20 30 EGEDLO C=C1CCC(C(=O)NCC[C@@H]2CN(c3cc[nH+]c(C)n3)C[C@H]2C)CC1 ZINC001092584089 1361416542 /nfs/dbraw/zinc/41/65/42/1361416542.db2.gz GISRYURSUALVTP-CRAIPNDOSA-N 1 2 342.487 3.110 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3cccc(C)c3F)CC2)C1 ZINC001093538116 1361636819 /nfs/dbraw/zinc/63/68/19/1361636819.db2.gz ZIPOIEAMNXRJSK-UHFFFAOYSA-N 1 2 346.446 3.016 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H](C)c3ccsc3)CC2)C1 ZINC001093572268 1361646651 /nfs/dbraw/zinc/64/66/51/1361646651.db2.gz KNQCRVRCZMIRRJ-OAHLLOKOSA-N 1 2 348.512 3.120 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3ccc(C)cc3C)CC2)C1 ZINC001093595986 1361652149 /nfs/dbraw/zinc/65/21/49/1361652149.db2.gz XZCXHIOVHJYRGN-UHFFFAOYSA-N 1 2 342.483 3.185 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCCCC3(C)C)CC2)C1 ZINC001093600456 1361654993 /nfs/dbraw/zinc/65/49/93/1361654993.db2.gz WCORNXBZSLHVSN-IBGZPJMESA-N 1 2 348.531 3.471 20 30 EGEDLO C#Cc1ccc(C(=O)NCCCNc2cc(C)[nH+]c(C(C)C)n2)cc1 ZINC001094696110 1361896482 /nfs/dbraw/zinc/89/64/82/1361896482.db2.gz SBBLOVYBZOPCOU-UHFFFAOYSA-N 1 2 336.439 3.122 20 30 EGEDLO C#CCCCCCC(=O)NCCCCCCNc1cc[nH+]c(C)n1 ZINC001094987563 1361977629 /nfs/dbraw/zinc/97/76/29/1361977629.db2.gz ZUCPGMFLWAXOHY-UHFFFAOYSA-N 1 2 330.476 3.457 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)co1 ZINC001095354416 1362111906 /nfs/dbraw/zinc/11/19/06/1362111906.db2.gz QNUMFMKCZCJTPV-COXVUDFISA-N 1 2 341.436 3.057 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)co1 ZINC001095354416 1362111908 /nfs/dbraw/zinc/11/19/08/1362111908.db2.gz QNUMFMKCZCJTPV-COXVUDFISA-N 1 2 341.436 3.057 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NC1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095442997 1362142695 /nfs/dbraw/zinc/14/26/95/1362142695.db2.gz SWQKKBUXMDBKLW-HIFRSBDPSA-N 1 2 342.487 3.206 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c3ccccc13)C2 ZINC001095704524 1362206156 /nfs/dbraw/zinc/20/61/56/1362206156.db2.gz UMHSCWSGBDGKSZ-DQYPLSBCSA-N 1 2 329.831 3.256 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c3ccccc13)C2 ZINC001095704524 1362206159 /nfs/dbraw/zinc/20/61/59/1362206159.db2.gz UMHSCWSGBDGKSZ-DQYPLSBCSA-N 1 2 329.831 3.256 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001095711261 1362208739 /nfs/dbraw/zinc/20/87/39/1362208739.db2.gz UYHUNOKQJSRNGQ-CQSZACIVSA-N 1 2 330.476 3.207 20 30 EGEDLO C=C(C)CCC(=O)NCCCN(CC)c1nc(C)[nH+]c2c1CCCC2 ZINC001095926001 1362290439 /nfs/dbraw/zinc/29/04/39/1362290439.db2.gz FAQDJPXWPJOQQT-UHFFFAOYSA-N 1 2 344.503 3.353 20 30 EGEDLO C=CC(C)(C)C(=O)NCCCN(c1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001096064913 1362361078 /nfs/dbraw/zinc/36/10/78/1362361078.db2.gz ATQWNGGJPHAFKF-UHFFFAOYSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3cc[nH]c3c1)C2 ZINC001096072046 1362367922 /nfs/dbraw/zinc/36/79/22/1362367922.db2.gz ZBJRESCPEBCRQV-PVAVHDDUSA-N 1 2 329.831 3.256 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3cc[nH]c3c1)C2 ZINC001096072046 1362367927 /nfs/dbraw/zinc/36/79/27/1362367927.db2.gz ZBJRESCPEBCRQV-PVAVHDDUSA-N 1 2 329.831 3.256 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001096207470 1362431945 /nfs/dbraw/zinc/43/19/45/1362431945.db2.gz VKQSPCOWWWTIJG-INIZCTEOSA-N 1 2 330.476 3.089 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(C)CCc3ccccc31)C2 ZINC001096642239 1362613381 /nfs/dbraw/zinc/61/33/81/1362613381.db2.gz SDVDBVPNWSQJBU-HYJFEMIMSA-N 1 2 344.886 3.365 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(C)CCc3ccccc31)C2 ZINC001096642239 1362613386 /nfs/dbraw/zinc/61/33/86/1362613386.db2.gz SDVDBVPNWSQJBU-HYJFEMIMSA-N 1 2 344.886 3.365 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](Nc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001096653900 1362617839 /nfs/dbraw/zinc/61/78/39/1362617839.db2.gz CBZAQYUOSYIHSU-QGZVFWFLSA-N 1 2 342.487 3.409 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H](Nc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001096783995 1362706680 /nfs/dbraw/zinc/70/66/80/1362706680.db2.gz SCQINQLMURXWIE-HNNXBMFYSA-N 1 2 330.476 3.427 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N[C@H]1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001097094252 1362840394 /nfs/dbraw/zinc/84/03/94/1362840394.db2.gz MGKQMRYBVCSQGS-OCVGTWLNSA-N 1 2 342.487 3.181 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001097244839 1362900221 /nfs/dbraw/zinc/90/02/21/1362900221.db2.gz RNBFXVPJPQBXIT-BMFZPTHFSA-N 1 2 342.487 3.325 20 30 EGEDLO C=CCCC1(C(=O)N2C[C@@H]3CC[C@H](Nc4cc[nH+]c(C)n4)[C@H]3C2)CC1 ZINC001097608543 1363073091 /nfs/dbraw/zinc/07/30/91/1363073091.db2.gz IBBOGXUEVLSEOQ-ULQDDVLXSA-N 1 2 340.471 3.180 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NC1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC001097631518 1363082194 /nfs/dbraw/zinc/08/21/94/1363082194.db2.gz CKRSWBATKUZONF-UHFFFAOYSA-N 1 2 336.867 3.403 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncc3sccc31)C2 ZINC001097704746 1363104719 /nfs/dbraw/zinc/10/47/19/1363104719.db2.gz BZVPPNQNUCYIGB-DFBGVHRSSA-N 1 2 347.871 3.384 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncc3sccc31)C2 ZINC001097704746 1363104721 /nfs/dbraw/zinc/10/47/21/1363104721.db2.gz BZVPPNQNUCYIGB-DFBGVHRSSA-N 1 2 347.871 3.384 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C3CC3)no2)C1 ZINC001097808675 1363126532 /nfs/dbraw/zinc/12/65/32/1363126532.db2.gz DFKNLEDWZBEPBD-OLMNPRSZSA-N 1 2 341.455 3.130 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C3CC3)no2)C1 ZINC001097808675 1363126534 /nfs/dbraw/zinc/12/65/34/1363126534.db2.gz DFKNLEDWZBEPBD-OLMNPRSZSA-N 1 2 341.455 3.130 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C3CC3)nc1C)C2 ZINC001097877156 1363147011 /nfs/dbraw/zinc/14/70/11/1363147011.db2.gz SVCUKETUZWRXOM-OLMNPRSZSA-N 1 2 345.874 3.355 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C3CC3)nc1C)C2 ZINC001097877156 1363147014 /nfs/dbraw/zinc/14/70/14/1363147014.db2.gz SVCUKETUZWRXOM-OLMNPRSZSA-N 1 2 345.874 3.355 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3[nH]ccc31)C2 ZINC001097903402 1363160154 /nfs/dbraw/zinc/16/01/54/1363160154.db2.gz OBKPQBVJXRPCEH-JLZZUVOBSA-N 1 2 329.831 3.256 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3[nH]ccc31)C2 ZINC001097903402 1363160156 /nfs/dbraw/zinc/16/01/56/1363160156.db2.gz OBKPQBVJXRPCEH-JLZZUVOBSA-N 1 2 329.831 3.256 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)NC[C@@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001098174425 1363244256 /nfs/dbraw/zinc/24/42/56/1363244256.db2.gz ZOEWMPMQQBIKOS-DNVCBOLYSA-N 1 2 348.491 3.054 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001098195657 1363251971 /nfs/dbraw/zinc/25/19/71/1363251971.db2.gz KHNLLMLPEHWUPT-KGLIPLIRSA-N 1 2 330.476 3.183 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001098604668 1363395136 /nfs/dbraw/zinc/39/51/36/1363395136.db2.gz ADTFZNNXNWSVSS-CVEARBPZSA-N 1 2 342.487 3.469 20 30 EGEDLO CC(C)c1cc(N[C@@H](C)CCNC(=O)[C@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001098948078 1363535044 /nfs/dbraw/zinc/53/50/44/1363535044.db2.gz VUISNTMCVHTDIP-KGLIPLIRSA-N 1 2 331.464 3.190 20 30 EGEDLO C#CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nc(C)c(C)o1 ZINC001099048629 1363593373 /nfs/dbraw/zinc/59/33/73/1363593373.db2.gz IXNQIWMTERQCCP-KRWDZBQOSA-N 1 2 345.487 3.202 20 30 EGEDLO C#CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nc(C)c(C)o1 ZINC001099048629 1363593377 /nfs/dbraw/zinc/59/33/77/1363593377.db2.gz IXNQIWMTERQCCP-KRWDZBQOSA-N 1 2 345.487 3.202 20 30 EGEDLO C#CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nccs1 ZINC001099050028 1363595250 /nfs/dbraw/zinc/59/52/50/1363595250.db2.gz ZXINDLSLZBGZIY-OAHLLOKOSA-N 1 2 333.501 3.053 20 30 EGEDLO C#CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nccs1 ZINC001099050028 1363595254 /nfs/dbraw/zinc/59/52/54/1363595254.db2.gz ZXINDLSLZBGZIY-OAHLLOKOSA-N 1 2 333.501 3.053 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccn(C)n1 ZINC001099189680 1363682676 /nfs/dbraw/zinc/68/26/76/1363682676.db2.gz WCVKTXJFXRZELP-FUHWJXTLSA-N 1 2 346.519 3.129 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccn(C)n1 ZINC001099189680 1363682678 /nfs/dbraw/zinc/68/26/78/1363682678.db2.gz WCVKTXJFXRZELP-FUHWJXTLSA-N 1 2 346.519 3.129 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccn(C)n1 ZINC001099194722 1363685431 /nfs/dbraw/zinc/68/54/31/1363685431.db2.gz RIZBAGIVOQKZTK-FUHWJXTLSA-N 1 2 346.519 3.129 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccn(C)n1 ZINC001099194722 1363685433 /nfs/dbraw/zinc/68/54/33/1363685433.db2.gz RIZBAGIVOQKZTK-FUHWJXTLSA-N 1 2 346.519 3.129 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@]1(C)CCCOC1 ZINC001099291738 1363735515 /nfs/dbraw/zinc/73/55/15/1363735515.db2.gz LPKUYVOAIMZLIK-QAPCUYQASA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@]1(C)CCCOC1 ZINC001099291738 1363735517 /nfs/dbraw/zinc/73/55/17/1363735517.db2.gz LPKUYVOAIMZLIK-QAPCUYQASA-N 1 2 342.911 3.162 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001100899706 1364321052 /nfs/dbraw/zinc/32/10/52/1364321052.db2.gz YDVFFYCDSMSNFJ-INIZCTEOSA-N 1 2 328.460 3.104 20 30 EGEDLO CCCCCCCCC(=O)NC[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001100969657 1364352670 /nfs/dbraw/zinc/35/26/70/1364352670.db2.gz AGYLSGITMKKKRO-KRWDZBQOSA-N 1 2 332.492 3.478 20 30 EGEDLO C=CCC1(C(=O)NCCN(c2nc(C)[nH+]c(C)c2C)C2CC2)CCC1 ZINC001101443424 1364566820 /nfs/dbraw/zinc/56/68/20/1364566820.db2.gz FOABGSPWKYRDQQ-UHFFFAOYSA-N 1 2 342.487 3.233 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)CCCCC(C)(C)C)c1nccn12 ZINC001101629739 1364661672 /nfs/dbraw/zinc/66/16/72/1364661672.db2.gz ZUHMNAKMXTYFNT-INIZCTEOSA-N 1 2 344.503 3.248 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N(C)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001101900653 1364768744 /nfs/dbraw/zinc/76/87/44/1364768744.db2.gz VHANECBYVCULDT-UHFFFAOYSA-N 1 2 330.476 3.136 20 30 EGEDLO C#CCCCCCC(=O)N(C)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001101901532 1364768750 /nfs/dbraw/zinc/76/87/50/1364768750.db2.gz KFGACIVPVZMXCY-UHFFFAOYSA-N 1 2 342.487 3.118 20 30 EGEDLO C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nc(C)[nH+]c(C)c1C ZINC001102208678 1364934643 /nfs/dbraw/zinc/93/46/43/1364934643.db2.gz KAAXGWWKKOKDOO-CALCHBBNSA-N 1 2 342.487 3.184 20 30 EGEDLO C=C1CC(C)(C(=O)NCC[C@@H]2CCN(c3nc(C)[nH+]c(C)c3C)C2)C1 ZINC001102381460 1365033093 /nfs/dbraw/zinc/03/30/93/1365033093.db2.gz RUBAGMSMDILSGU-QGZVFWFLSA-N 1 2 342.487 3.091 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCC[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102383110 1365034113 /nfs/dbraw/zinc/03/41/13/1365034113.db2.gz RKLIBJLKSRKULP-ROUUACIJSA-N 1 2 344.503 3.337 20 30 EGEDLO C=CCCC(=O)N1CCC(CN(C)c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001102463682 1365068995 /nfs/dbraw/zinc/06/89/95/1365068995.db2.gz XXUHQDQNAKMFMY-UHFFFAOYSA-N 1 2 342.487 3.303 20 30 EGEDLO C#CCCCCC(=O)N(C)[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001102691757 1365171973 /nfs/dbraw/zinc/17/19/73/1365171973.db2.gz HCGKIRFTNRYNRE-QGZVFWFLSA-N 1 2 342.487 3.139 20 30 EGEDLO C=CC(C)(C)CC(=O)NCC[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001102931640 1365298298 /nfs/dbraw/zinc/29/82/98/1365298298.db2.gz CKHMTDULIQNNLL-MRXNPFEDSA-N 1 2 330.476 3.110 20 30 EGEDLO C=CCOCC(=O)NC[C@H](CC)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001102991971 1365329390 /nfs/dbraw/zinc/32/93/90/1365329390.db2.gz GMAJGPBKQIPABJ-HNNXBMFYSA-N 1 2 348.491 3.233 20 30 EGEDLO C=C1CCC(C(=O)NC2(CNc3cc[nH+]c(C)n3)CCCC2)CC1 ZINC001103456434 1365571995 /nfs/dbraw/zinc/57/19/95/1365571995.db2.gz ZQGJITJSAJWZBM-UHFFFAOYSA-N 1 2 328.460 3.372 20 30 EGEDLO Cc1cc(NC[C@](C)(NC(=O)C#CC(C)C)C2CC2)nc(C2CC2)[nH+]1 ZINC001103529236 1365615812 /nfs/dbraw/zinc/61/58/12/1365615812.db2.gz PDVKTMAMCSESMF-FQEVSTJZSA-N 1 2 340.471 3.019 20 30 EGEDLO C#CCC1(C(=O)N2CCC[C@@H](CCNc3cc[nH+]c(C)n3)C2)CCC1 ZINC001103614171 1365677399 /nfs/dbraw/zinc/67/73/99/1365677399.db2.gz DVLOUHQNFMPOIP-KRWDZBQOSA-N 1 2 340.471 3.019 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001103701634 1365740186 /nfs/dbraw/zinc/74/01/86/1365740186.db2.gz VTUMQJPSZRWXGN-OAHLLOKOSA-N 1 2 330.476 3.110 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001104098882 1365910714 /nfs/dbraw/zinc/91/07/14/1365910714.db2.gz FYTPBHBOMYSRDR-ZDUSSCGKSA-N 1 2 330.476 3.429 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104100142 1365910816 /nfs/dbraw/zinc/91/08/16/1365910816.db2.gz YCZKVXIATHMPIT-AWEZNQCLSA-N 1 2 344.503 3.430 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N(C)[C@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001104506997 1366053444 /nfs/dbraw/zinc/05/34/44/1366053444.db2.gz DRKVWQURKBYETA-CVEARBPZSA-N 1 2 348.491 3.148 20 30 EGEDLO C=C[C@H](CC(=O)N(C)[C@H](C)CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001104589268 1366090324 /nfs/dbraw/zinc/09/03/24/1366090324.db2.gz ZHSHENBEDYIELH-NVXWUHKLSA-N 1 2 338.455 3.404 20 30 EGEDLO Cc1cc(NC[C@@H](CC(C)C)NC(=O)C#CC2CC2)nc(C2CC2)[nH+]1 ZINC001104946699 1366236639 /nfs/dbraw/zinc/23/66/39/1366236639.db2.gz LEKWIPZWOYDEPW-QGZVFWFLSA-N 1 2 340.471 3.019 20 30 EGEDLO Cc1cc(NC[C@H](CC(C)C)NC(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001104947272 1366237178 /nfs/dbraw/zinc/23/71/78/1366237178.db2.gz WJFUJYVOKUYPMR-KRWDZBQOSA-N 1 2 342.487 3.265 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H](CNc1cc[nH+]c(C)n1)CC(C)C ZINC001104965816 1366245069 /nfs/dbraw/zinc/24/50/69/1366245069.db2.gz FLZGKSPMWHDIHP-KRWDZBQOSA-N 1 2 330.476 3.496 20 30 EGEDLO C=CCCC(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@H](C)C1 ZINC001105038506 1366288062 /nfs/dbraw/zinc/28/80/62/1366288062.db2.gz NVRFXLHTCZZDTJ-CJNGLKHVSA-N 1 2 328.460 3.278 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[C@@H](C)[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001105097020 1366324998 /nfs/dbraw/zinc/32/49/98/1366324998.db2.gz KGXXJGPQQPYFRV-AEFFLSMTSA-N 1 2 342.487 3.408 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N(C)CCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001105520515 1366506894 /nfs/dbraw/zinc/50/68/94/1366506894.db2.gz BOOWPTVRJGNSHK-UHFFFAOYSA-N 1 2 344.503 3.161 20 30 EGEDLO C=C[C@H](CC)CC(=O)N(C)CCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001105537614 1366517217 /nfs/dbraw/zinc/51/72/17/1366517217.db2.gz QZFMOPIEIJFVRU-MRXNPFEDSA-N 1 2 344.503 3.161 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CCC[C@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001105652118 1366560314 /nfs/dbraw/zinc/56/03/14/1366560314.db2.gz PZPKOXSJVOBZPO-DLBZAZTESA-N 1 2 340.471 3.163 20 30 EGEDLO C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C ZINC001106154186 1366614935 /nfs/dbraw/zinc/61/49/35/1366614935.db2.gz CDSODKRVSQVFCE-MGPQQGTHSA-N 1 2 338.389 3.317 20 30 EGEDLO C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C ZINC001106154186 1366614938 /nfs/dbraw/zinc/61/49/38/1366614938.db2.gz CDSODKRVSQVFCE-MGPQQGTHSA-N 1 2 338.389 3.317 20 30 EGEDLO CC(C)c1cc(NC/C=C\CNC(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001107158123 1366882327 /nfs/dbraw/zinc/88/23/27/1366882327.db2.gz JINIYHPGIVWLFB-WAYWQWQTSA-N 1 2 340.471 3.221 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC/C=C/CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107461421 1366972146 /nfs/dbraw/zinc/97/21/46/1366972146.db2.gz DMRPOFKIUWMYKG-MVGZEHJDSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1csnn1)CC2 ZINC001107536385 1367027921 /nfs/dbraw/zinc/02/79/21/1367027921.db2.gz LMIMGFTXHCCLLH-BPQIPLTHSA-N 1 2 348.516 3.001 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1csnn1)CC2 ZINC001107536385 1367027927 /nfs/dbraw/zinc/02/79/27/1367027927.db2.gz LMIMGFTXHCCLLH-BPQIPLTHSA-N 1 2 348.516 3.001 20 30 EGEDLO C[C@@H](c1nc2ccccc2o1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109257824 1367028754 /nfs/dbraw/zinc/02/87/54/1367028754.db2.gz OJKAWDJOTMCWMM-DHXZDTOLSA-N 1 2 349.434 3.024 20 30 EGEDLO C[C@@H](c1nc2ccccc2o1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109257824 1367028762 /nfs/dbraw/zinc/02/87/62/1367028762.db2.gz OJKAWDJOTMCWMM-DHXZDTOLSA-N 1 2 349.434 3.024 20 30 EGEDLO C[C@@H](c1ccc(F)cc1F)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109259376 1367031104 /nfs/dbraw/zinc/03/11/04/1367031104.db2.gz APLYKKCXSHJABF-CJCLCCARSA-N 1 2 344.405 3.161 20 30 EGEDLO C[C@@H](c1ccc(F)cc1F)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109259376 1367031111 /nfs/dbraw/zinc/03/11/11/1367031111.db2.gz APLYKKCXSHJABF-CJCLCCARSA-N 1 2 344.405 3.161 20 30 EGEDLO C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001109313936 1367049997 /nfs/dbraw/zinc/04/99/97/1367049997.db2.gz YAPIJARFSPLDEZ-RFGFWPKPSA-N 1 2 336.373 3.355 20 30 EGEDLO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001109313936 1367050001 /nfs/dbraw/zinc/05/00/01/1367050001.db2.gz YAPIJARFSPLDEZ-RFGFWPKPSA-N 1 2 336.373 3.355 20 30 EGEDLO C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)C(F)(F)F)C2 ZINC001109313936 1367050005 /nfs/dbraw/zinc/05/00/05/1367050005.db2.gz YAPIJARFSPLDEZ-RFGFWPKPSA-N 1 2 336.373 3.355 20 30 EGEDLO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)C(F)(F)F)C2 ZINC001109313936 1367050008 /nfs/dbraw/zinc/05/00/08/1367050008.db2.gz YAPIJARFSPLDEZ-RFGFWPKPSA-N 1 2 336.373 3.355 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109350970 1367081718 /nfs/dbraw/zinc/08/17/18/1367081718.db2.gz LALZAFOXNOCPLN-NEWSRXKRSA-N 1 2 341.430 3.275 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109350970 1367081726 /nfs/dbraw/zinc/08/17/26/1367081726.db2.gz LALZAFOXNOCPLN-NEWSRXKRSA-N 1 2 341.430 3.275 20 30 EGEDLO C[N@H+](Cc1csc(C2CC2)n1)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190076081 1367165938 /nfs/dbraw/zinc/16/59/38/1367165938.db2.gz JJZYWJGVHYDEJI-INIZCTEOSA-N 1 2 345.512 3.103 20 30 EGEDLO C[N@@H+](Cc1csc(C2CC2)n1)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190076081 1367165942 /nfs/dbraw/zinc/16/59/42/1367165942.db2.gz JJZYWJGVHYDEJI-INIZCTEOSA-N 1 2 345.512 3.103 20 30 EGEDLO COc1cc(C#N)c(F)cc1NC(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190099401 1367172608 /nfs/dbraw/zinc/17/26/08/1367172608.db2.gz HXNFPPNZJAQSMB-UHFFFAOYSA-N 1 2 336.326 3.144 20 30 EGEDLO C=C(C)CCC(=O)NC[C@]1(C)C[N@H+](C/C=C/c2ccccc2)CCO1 ZINC001107974393 1367225906 /nfs/dbraw/zinc/22/59/06/1367225906.db2.gz RNKQWVAPXZRHOU-TYOLEZHBSA-N 1 2 342.483 3.263 20 30 EGEDLO C=C(C)CCC(=O)NC[C@]1(C)C[N@@H+](C/C=C/c2ccccc2)CCO1 ZINC001107974393 1367225910 /nfs/dbraw/zinc/22/59/10/1367225910.db2.gz RNKQWVAPXZRHOU-TYOLEZHBSA-N 1 2 342.483 3.263 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@]1(C)C[N@H+]([C@H](C)c2cccc(F)c2)CCO1 ZINC001107977530 1367228220 /nfs/dbraw/zinc/22/82/20/1367228220.db2.gz NGFFMESTKZXFDC-UZLBHIALSA-N 1 2 348.462 3.450 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@]1(C)C[N@@H+]([C@H](C)c2cccc(F)c2)CCO1 ZINC001107977530 1367228222 /nfs/dbraw/zinc/22/82/22/1367228222.db2.gz NGFFMESTKZXFDC-UZLBHIALSA-N 1 2 348.462 3.450 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(Cl)sc2Cl)C1 ZINC001107997778 1367234738 /nfs/dbraw/zinc/23/47/38/1367234738.db2.gz CZTKUYKZKGHIIT-AWEZNQCLSA-N 1 2 349.283 3.062 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(Cl)sc2Cl)C1 ZINC001107997778 1367234746 /nfs/dbraw/zinc/23/47/46/1367234746.db2.gz CZTKUYKZKGHIIT-AWEZNQCLSA-N 1 2 349.283 3.062 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2nc(C3CC3)no2)C1 ZINC001190387375 1367247604 /nfs/dbraw/zinc/24/76/04/1367247604.db2.gz CLDMSSSBWCTBMK-ZFWWWQNUSA-N 1 2 346.475 3.143 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2nc(C3CC3)no2)C1 ZINC001190387375 1367247612 /nfs/dbraw/zinc/24/76/12/1367247612.db2.gz CLDMSSSBWCTBMK-ZFWWWQNUSA-N 1 2 346.475 3.143 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)C2(CC(C)C)CC2)C1 ZINC001190596013 1367302113 /nfs/dbraw/zinc/30/21/13/1367302113.db2.gz VYYGPCZVFFUGFY-AWEZNQCLSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)C2(CC(C)C)CC2)C1 ZINC001190596013 1367302117 /nfs/dbraw/zinc/30/21/17/1367302117.db2.gz VYYGPCZVFFUGFY-AWEZNQCLSA-N 1 2 343.309 3.254 20 30 EGEDLO C=CCCCC(=O)NC[C@]1(C)C[N@H+]([C@H](C)c2ccccc2F)CCO1 ZINC001108173744 1367323993 /nfs/dbraw/zinc/32/39/93/1367323993.db2.gz WXHGFJBLEYJTKK-OXQOHEQNSA-N 1 2 348.462 3.450 20 30 EGEDLO C=CCCCC(=O)NC[C@]1(C)C[N@@H+]([C@H](C)c2ccccc2F)CCO1 ZINC001108173744 1367323998 /nfs/dbraw/zinc/32/39/98/1367323998.db2.gz WXHGFJBLEYJTKK-OXQOHEQNSA-N 1 2 348.462 3.450 20 30 EGEDLO C=CCCCC(=O)NC[C@]1(C)C[N@H+]([C@H](C)c2ccc(F)cc2)CCO1 ZINC001108173949 1367324106 /nfs/dbraw/zinc/32/41/06/1367324106.db2.gz YWHXUZFUXMJMDS-OXQOHEQNSA-N 1 2 348.462 3.450 20 30 EGEDLO C=CCCCC(=O)NC[C@]1(C)C[N@@H+]([C@H](C)c2ccc(F)cc2)CCO1 ZINC001108173949 1367324112 /nfs/dbraw/zinc/32/41/12/1367324112.db2.gz YWHXUZFUXMJMDS-OXQOHEQNSA-N 1 2 348.462 3.450 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](CCC)CC2CCCC2)C1 ZINC001108257857 1367367874 /nfs/dbraw/zinc/36/78/74/1367367874.db2.gz NDWVXBMUEFSYKV-QUCCMNQESA-N 1 2 336.520 3.376 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](CCC)CC2CCCC2)C1 ZINC001108257857 1367367880 /nfs/dbraw/zinc/36/78/80/1367367880.db2.gz NDWVXBMUEFSYKV-QUCCMNQESA-N 1 2 336.520 3.376 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC2CCCC2)C(C)C)C1 ZINC001108258759 1367368109 /nfs/dbraw/zinc/36/81/09/1367368109.db2.gz URTNBXJJIZQXCO-AZUAARDMSA-N 1 2 336.520 3.232 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC2CCCC2)C(C)C)C1 ZINC001108258759 1367368113 /nfs/dbraw/zinc/36/81/13/1367368113.db2.gz URTNBXJJIZQXCO-AZUAARDMSA-N 1 2 336.520 3.232 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc3cc(C)ccc3s2)C1 ZINC001108316640 1367388110 /nfs/dbraw/zinc/38/81/10/1367388110.db2.gz AJSRCFLEBNJRDU-IBGZPJMESA-N 1 2 344.480 3.216 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc3cc(C)ccc3s2)C1 ZINC001108316640 1367388114 /nfs/dbraw/zinc/38/81/14/1367388114.db2.gz AJSRCFLEBNJRDU-IBGZPJMESA-N 1 2 344.480 3.216 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](c2ccccc2)C(C)C)C1 ZINC001108336414 1367396419 /nfs/dbraw/zinc/39/64/19/1367396419.db2.gz CKACJSYWLQTDCU-CTNGQTDRSA-N 1 2 344.499 3.209 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](c2ccccc2)C(C)C)C1 ZINC001108336414 1367396423 /nfs/dbraw/zinc/39/64/23/1367396423.db2.gz CKACJSYWLQTDCU-CTNGQTDRSA-N 1 2 344.499 3.209 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H](CNc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001109947817 1367419206 /nfs/dbraw/zinc/41/92/06/1367419206.db2.gz QXHRPTOWUNHHKB-OAHLLOKOSA-N 1 2 328.460 3.181 20 30 EGEDLO CCCCCCCNC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC001191096800 1367423295 /nfs/dbraw/zinc/42/32/95/1367423295.db2.gz AACOTBWSGGADPN-UHFFFAOYSA-N 1 2 347.503 3.493 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2c(CC)oc3ccccc32)C1 ZINC001108424399 1367447609 /nfs/dbraw/zinc/44/76/09/1367447609.db2.gz KOXZYJDKOPJMDJ-HXUWFJFHSA-N 1 2 342.439 3.002 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2c(CC)oc3ccccc32)C1 ZINC001108424399 1367447613 /nfs/dbraw/zinc/44/76/13/1367447613.db2.gz KOXZYJDKOPJMDJ-HXUWFJFHSA-N 1 2 342.439 3.002 20 30 EGEDLO Cc1c(C)c(C)c(CN(CCC#N)CC[NH+]2CCOCC2)c(C)c1C ZINC001191366139 1367485304 /nfs/dbraw/zinc/48/53/04/1367485304.db2.gz DRWKMPOFJWTWTC-UHFFFAOYSA-N 1 2 343.515 3.277 20 30 EGEDLO Cc1c(C)c(C)c(C[N@H+](CCC#N)CCN2CCOCC2)c(C)c1C ZINC001191366139 1367485309 /nfs/dbraw/zinc/48/53/09/1367485309.db2.gz DRWKMPOFJWTWTC-UHFFFAOYSA-N 1 2 343.515 3.277 20 30 EGEDLO Cc1c(C)c(C)c(C[N@@H+](CCC#N)CCN2CCOCC2)c(C)c1C ZINC001191366139 1367485312 /nfs/dbraw/zinc/48/53/12/1367485312.db2.gz DRWKMPOFJWTWTC-UHFFFAOYSA-N 1 2 343.515 3.277 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N[C@@H](C)CNc1cc(C)[nH+]c(C(C)C)n1)OCC ZINC001108552034 1367487520 /nfs/dbraw/zinc/48/75/20/1367487520.db2.gz RWOVDIPOECLLEG-JKSUJKDBSA-N 1 2 348.491 3.196 20 30 EGEDLO C=C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl)c1ccccc1 ZINC001110136510 1367518884 /nfs/dbraw/zinc/51/88/84/1367518884.db2.gz FTYFHTHQYLYKMN-BDXSIMOUSA-N 1 2 330.859 3.430 20 30 EGEDLO C=C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl)c1ccccc1 ZINC001110136510 1367518888 /nfs/dbraw/zinc/51/88/88/1367518888.db2.gz FTYFHTHQYLYKMN-BDXSIMOUSA-N 1 2 330.859 3.430 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)C2(CCC)CCC2)C1 ZINC001191820497 1367601028 /nfs/dbraw/zinc/60/10/28/1367601028.db2.gz ZYHJOQDCUHHZBX-AWEZNQCLSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)C2(CCC)CCC2)C1 ZINC001191820497 1367601025 /nfs/dbraw/zinc/60/10/25/1367601025.db2.gz ZYHJOQDCUHHZBX-AWEZNQCLSA-N 1 2 343.309 3.398 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2csc(CCC)n2)C1 ZINC001191840677 1367608553 /nfs/dbraw/zinc/60/85/53/1367608553.db2.gz ZMQMCKMEUFEBQF-QGZVFWFLSA-N 1 2 347.528 3.322 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2csc(CCC)n2)C1 ZINC001191840677 1367608555 /nfs/dbraw/zinc/60/85/55/1367608555.db2.gz ZMQMCKMEUFEBQF-QGZVFWFLSA-N 1 2 347.528 3.322 20 30 EGEDLO C#CCCCCCC(=O)NCC1(Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001110294472 1367618136 /nfs/dbraw/zinc/61/81/36/1367618136.db2.gz OTFBGNRFWZLIAZ-UHFFFAOYSA-N 1 2 340.471 3.307 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2noc3c2CCCC3)C1 ZINC001191867667 1367619986 /nfs/dbraw/zinc/61/99/86/1367619986.db2.gz GNOBTGJXPQQFSK-JKSUJKDBSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2noc3c2CCCC3)C1 ZINC001191867667 1367619990 /nfs/dbraw/zinc/61/99/90/1367619990.db2.gz GNOBTGJXPQQFSK-JKSUJKDBSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC001191889248 1367626295 /nfs/dbraw/zinc/62/62/95/1367626295.db2.gz CLYJCYCYHIVXMR-WMZOPIPTSA-N 1 2 332.492 3.099 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC001191889248 1367626299 /nfs/dbraw/zinc/62/62/99/1367626299.db2.gz CLYJCYCYHIVXMR-WMZOPIPTSA-N 1 2 332.492 3.099 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCC1(Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001110305769 1367626787 /nfs/dbraw/zinc/62/67/87/1367626787.db2.gz MDLQWQQSBNHZGF-AWEZNQCLSA-N 1 2 328.460 3.325 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001110414036 1367704048 /nfs/dbraw/zinc/70/40/48/1367704048.db2.gz VTJIEEQBLOCUJO-MSOLQXFVSA-N 1 2 342.487 3.349 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3nc(C)cs3)C2)CC1 ZINC001192181594 1367709860 /nfs/dbraw/zinc/70/98/60/1367709860.db2.gz WHIBEISAYSHMSV-HNNXBMFYSA-N 1 2 333.501 3.231 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3nc(C)cs3)C2)CC1 ZINC001192181594 1367709865 /nfs/dbraw/zinc/70/98/65/1367709865.db2.gz WHIBEISAYSHMSV-HNNXBMFYSA-N 1 2 333.501 3.231 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3nc(C)c(C)o3)C2)CCC1 ZINC001192218339 1367721771 /nfs/dbraw/zinc/72/17/71/1367721771.db2.gz OOLQDGPZGWASPP-INIZCTEOSA-N 1 2 331.460 3.071 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3nc(C)c(C)o3)C2)CCC1 ZINC001192218339 1367721778 /nfs/dbraw/zinc/72/17/78/1367721778.db2.gz OOLQDGPZGWASPP-INIZCTEOSA-N 1 2 331.460 3.071 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)[C@H](C)c3ncc(C)o3)C2)CCC1 ZINC001192218801 1367722490 /nfs/dbraw/zinc/72/24/90/1367722490.db2.gz WONHOQZMBXLRDO-HZPDHXFCSA-N 1 2 331.460 3.323 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)[C@H](C)c3ncc(C)o3)C2)CCC1 ZINC001192218801 1367722495 /nfs/dbraw/zinc/72/24/95/1367722495.db2.gz WONHOQZMBXLRDO-HZPDHXFCSA-N 1 2 331.460 3.323 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110447641 1367730781 /nfs/dbraw/zinc/73/07/81/1367730781.db2.gz NLHSFZSLYMDXCQ-OIISXLGYSA-N 1 2 345.393 3.182 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110447641 1367730786 /nfs/dbraw/zinc/73/07/86/1367730786.db2.gz NLHSFZSLYMDXCQ-OIISXLGYSA-N 1 2 345.393 3.182 20 30 EGEDLO C=CCCC(=O)N1CC[C@]2(C1)CCCN(c1nc(C)[nH+]c(C)c1C)C2 ZINC001110456395 1367741705 /nfs/dbraw/zinc/74/17/05/1367741705.db2.gz HDAXYTQRCRWMJQ-FQEVSTJZSA-N 1 2 342.487 3.187 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)c2cccnc2SCCCCC)CC1 ZINC001192584942 1367825095 /nfs/dbraw/zinc/82/50/95/1367825095.db2.gz MCRPMQQXFHCJKY-UHFFFAOYSA-N 1 2 333.501 3.308 20 30 EGEDLO C#CCN(C(=O)[C@H](C)CCCC)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110623384 1367874091 /nfs/dbraw/zinc/87/40/91/1367874091.db2.gz ODUONZFAQIRJMS-MRXNPFEDSA-N 1 2 342.487 3.042 20 30 EGEDLO Cc1cc(NC[C@@H](NC(=O)[C@@H](C)C#N)C2CCCC2)nc(C(C)C)[nH+]1 ZINC001110648236 1367891534 /nfs/dbraw/zinc/89/15/34/1367891534.db2.gz DUKDGCQBSCRSFB-XJKSGUPXSA-N 1 2 343.475 3.155 20 30 EGEDLO C#CCCCC(=O)N1CC[C@](C)(CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001110841618 1368022815 /nfs/dbraw/zinc/02/28/15/1368022815.db2.gz HXCPOWFIADDKNT-HXUWFJFHSA-N 1 2 340.471 3.116 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@](C)(CNc3cc[nH+]c(C)n3)C2)CCC1 ZINC001110853542 1368034265 /nfs/dbraw/zinc/03/42/65/1368034265.db2.gz GVDMRZGMDLVJAF-SFHVURJKSA-N 1 2 328.460 3.182 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110897209 1368070725 /nfs/dbraw/zinc/07/07/25/1368070725.db2.gz FSWXMJAOIKQZBX-NXHRZFHOSA-N 1 2 341.430 3.131 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110897209 1368070730 /nfs/dbraw/zinc/07/07/30/1368070730.db2.gz FSWXMJAOIKQZBX-NXHRZFHOSA-N 1 2 341.430 3.131 20 30 EGEDLO CCc1ccccc1[C@@H](CNC(=O)C#CC1CC1)Nc1cc[nH+]c(C)n1 ZINC001111167406 1368177862 /nfs/dbraw/zinc/17/78/62/1368177862.db2.gz BAZQWYHGUFYJPG-LJQANCHMSA-N 1 2 348.450 3.030 20 30 EGEDLO C=C[C@@H](CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccon2)C1)c1ccccc1 ZINC001194200837 1368207487 /nfs/dbraw/zinc/20/74/87/1368207487.db2.gz ONNLUCJTFBAULA-QFBILLFUSA-N 1 2 339.439 3.067 20 30 EGEDLO C=C[C@@H](CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccon2)C1)c1ccccc1 ZINC001194200837 1368207490 /nfs/dbraw/zinc/20/74/90/1368207490.db2.gz ONNLUCJTFBAULA-QFBILLFUSA-N 1 2 339.439 3.067 20 30 EGEDLO C=CCC1(C(=O)N2C[C@@H](C)[C@@H](CNc3cc[nH+]c(C)n3)C2)CCCC1 ZINC001111249712 1368217235 /nfs/dbraw/zinc/21/72/35/1368217235.db2.gz MJDSNAHEYNLTIJ-WBVHZDCISA-N 1 2 342.487 3.428 20 30 EGEDLO C=CC(C)(C)C(=O)N(CCNc1cc[nH+]c(C)n1)Cc1ccccc1 ZINC001111282922 1368250941 /nfs/dbraw/zinc/25/09/41/1368250941.db2.gz QBPYBVXBCVJRDX-UHFFFAOYSA-N 1 2 338.455 3.438 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccccc1OC)C2 ZINC001111365082 1368272529 /nfs/dbraw/zinc/27/25/29/1368272529.db2.gz XZQOUVIRRIMKOL-ZACQAIPSSA-N 1 2 348.874 3.102 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccccc1OC)C2 ZINC001111365082 1368272534 /nfs/dbraw/zinc/27/25/34/1368272534.db2.gz XZQOUVIRRIMKOL-ZACQAIPSSA-N 1 2 348.874 3.102 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1c(C)cccc1C)C2 ZINC001111370773 1368273576 /nfs/dbraw/zinc/27/35/76/1368273576.db2.gz FOSXWIBAAFDYRL-ZACQAIPSSA-N 1 2 348.874 3.156 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1c(C)cccc1C)C2 ZINC001111370773 1368273583 /nfs/dbraw/zinc/27/35/83/1368273583.db2.gz FOSXWIBAAFDYRL-ZACQAIPSSA-N 1 2 348.874 3.156 20 30 EGEDLO CC(C)CCC(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001194787918 1368324024 /nfs/dbraw/zinc/32/40/24/1368324024.db2.gz XEFBDCRYHRXQHP-UHFFFAOYSA-N 1 2 331.435 3.168 20 30 EGEDLO CC(C)CCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001194787918 1368324029 /nfs/dbraw/zinc/32/40/29/1368324029.db2.gz XEFBDCRYHRXQHP-UHFFFAOYSA-N 1 2 331.435 3.168 20 30 EGEDLO CC(C)[C@@H](C)CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001195199447 1368399296 /nfs/dbraw/zinc/39/92/96/1368399296.db2.gz BDTYZTGCSLRDFX-INIZCTEOSA-N 1 2 345.462 3.414 20 30 EGEDLO CC(C)[C@@H](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001195199447 1368399299 /nfs/dbraw/zinc/39/92/99/1368399299.db2.gz BDTYZTGCSLRDFX-INIZCTEOSA-N 1 2 345.462 3.414 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[C@H](CNc2cc[nH+]c(C)n2)CC1 ZINC001111644792 1368407343 /nfs/dbraw/zinc/40/73/43/1368407343.db2.gz KANYTFCCYLWHLP-XIRDDKMYSA-N 1 2 330.476 3.474 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N[C@H]1CC[C@H](CNc2cc[nH+]c(C)n2)CC1 ZINC001111645262 1368408853 /nfs/dbraw/zinc/40/88/53/1368408853.db2.gz DXRFHFKJIMPDGD-YALNPMBYSA-N 1 2 330.476 3.330 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001196011135 1368535404 /nfs/dbraw/zinc/53/54/04/1368535404.db2.gz ZMNBXCKVGJCTIH-UHFFFAOYSA-N 1 2 328.431 3.068 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001196011135 1368535408 /nfs/dbraw/zinc/53/54/08/1368535408.db2.gz ZMNBXCKVGJCTIH-UHFFFAOYSA-N 1 2 328.431 3.068 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001111974154 1368583808 /nfs/dbraw/zinc/58/38/08/1368583808.db2.gz LXQQCGKGNLNSLZ-INIZCTEOSA-N 1 2 328.460 3.104 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[N@H+](Cc2cccc(Cl)n2)CC1 ZINC001196901576 1368710637 /nfs/dbraw/zinc/71/06/37/1368710637.db2.gz PMNNFLYTNSDKHQ-OAHLLOKOSA-N 1 2 335.879 3.372 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[N@@H+](Cc2cccc(Cl)n2)CC1 ZINC001196901576 1368710639 /nfs/dbraw/zinc/71/06/39/1368710639.db2.gz PMNNFLYTNSDKHQ-OAHLLOKOSA-N 1 2 335.879 3.372 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[N@H+](Cc2ccnc(Cl)c2)CC1 ZINC001196901616 1368711080 /nfs/dbraw/zinc/71/10/80/1368711080.db2.gz QGOCCKCVUBVXLC-OAHLLOKOSA-N 1 2 335.879 3.372 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[N@@H+](Cc2ccnc(Cl)c2)CC1 ZINC001196901616 1368711083 /nfs/dbraw/zinc/71/10/83/1368711083.db2.gz QGOCCKCVUBVXLC-OAHLLOKOSA-N 1 2 335.879 3.372 20 30 EGEDLO CCc1cc(C(=O)N2CCC3(CCn4c(C)c[nH+]c43)CC2)ccc1C#N ZINC001197274504 1368776511 /nfs/dbraw/zinc/77/65/11/1368776511.db2.gz FSKMUUAKEFGNBH-UHFFFAOYSA-N 1 2 348.450 3.203 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001112381833 1368809706 /nfs/dbraw/zinc/80/97/06/1368809706.db2.gz VLDWSEJLMVMYJR-ZBFHGGJFSA-N 1 2 330.476 3.108 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001112383491 1368812040 /nfs/dbraw/zinc/81/20/40/1368812040.db2.gz ZLSOJVQLCWLEBW-JKSUJKDBSA-N 1 2 330.476 3.108 20 30 EGEDLO CC[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001197586823 1368845996 /nfs/dbraw/zinc/84/59/96/1368845996.db2.gz MYIVOPUHQCJPHW-DLBZAZTESA-N 1 2 327.472 3.275 20 30 EGEDLO CC[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001197586823 1368846002 /nfs/dbraw/zinc/84/60/02/1368846002.db2.gz MYIVOPUHQCJPHW-DLBZAZTESA-N 1 2 327.472 3.275 20 30 EGEDLO CC(C)C[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001197596842 1368849478 /nfs/dbraw/zinc/84/94/78/1368849478.db2.gz KEISWJULFAWKGF-OAHLLOKOSA-N 1 2 333.501 3.336 20 30 EGEDLO CC(C)C[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001197596842 1368849492 /nfs/dbraw/zinc/84/94/92/1368849492.db2.gz KEISWJULFAWKGF-OAHLLOKOSA-N 1 2 333.501 3.336 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@H]1CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001112800027 1369012725 /nfs/dbraw/zinc/01/27/25/1369012725.db2.gz FMPAMVGNDOFHLB-KRWDZBQOSA-N 1 2 342.487 3.446 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@H+](Cc3cncs3)CC2)CCCC1 ZINC001198423419 1369029350 /nfs/dbraw/zinc/02/93/50/1369029350.db2.gz OZVKLWFOKYRLJM-UHFFFAOYSA-N 1 2 333.501 3.314 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@@H+](Cc3cncs3)CC2)CCCC1 ZINC001198423419 1369029358 /nfs/dbraw/zinc/02/93/58/1369029358.db2.gz OZVKLWFOKYRLJM-UHFFFAOYSA-N 1 2 333.501 3.314 20 30 EGEDLO C=CCCC(=O)NC[C@@H]([NH2+]Cc1ccns1)c1ccccc1OC ZINC001198595217 1369068468 /nfs/dbraw/zinc/06/84/68/1369068468.db2.gz HWTHOUSRQAVJOB-MRXNPFEDSA-N 1 2 345.468 3.065 20 30 EGEDLO C=C(C)CCC(=O)N1CC[NH+](Cc2ccccc2OC(C)C)CC1 ZINC001112899073 1369078994 /nfs/dbraw/zinc/07/89/94/1369078994.db2.gz MCDGWVWJACOGKO-UHFFFAOYSA-N 1 2 330.472 3.474 20 30 EGEDLO Cc1nc(N[C@H](C)[C@@H](C)NC(=O)C#CC(C)(C)C)c2c([nH+]1)CCCC2 ZINC001113004459 1369131567 /nfs/dbraw/zinc/13/15/67/1369131567.db2.gz OSRJFQARWDTUSH-ZIAGYGMSSA-N 1 2 342.487 3.018 20 30 EGEDLO CC(C)c1cc(N[C@H](C)[C@@H](C)NC(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001113036142 1369155790 /nfs/dbraw/zinc/15/57/90/1369155790.db2.gz LAUUEPKIVQEZFQ-HUUCEWRRSA-N 1 2 342.487 3.442 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC[NH+](Cc2cccc(OC)c2C)CC1 ZINC001113229852 1369277140 /nfs/dbraw/zinc/27/71/40/1369277140.db2.gz SKHIQOZCKDVONY-CVEARBPZSA-N 1 2 330.472 3.106 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC001113229547 1369277225 /nfs/dbraw/zinc/27/72/25/1369277225.db2.gz LZTIHSZHOFIMRK-DOTOQJQBSA-N 1 2 330.472 3.106 20 30 EGEDLO C=CCCCC(=O)N1CC[NH+](CCOc2cc(C)cc(C)c2)CC1 ZINC001113284922 1369317994 /nfs/dbraw/zinc/31/79/94/1369317994.db2.gz KABQHTVZLFBEEZ-UHFFFAOYSA-N 1 2 330.472 3.183 20 30 EGEDLO CCCCCCCCCCNC(=S)N(C)CC[NH+]1CCOCC1 ZINC001200208667 1369329237 /nfs/dbraw/zinc/32/92/37/1369329237.db2.gz NHWDWBXMRBJYGB-UHFFFAOYSA-N 1 2 343.581 3.266 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3sc(C)nc3C)CC2)CCC1 ZINC001113312826 1369339680 /nfs/dbraw/zinc/33/96/80/1369339680.db2.gz RXZPURYMFZOXHO-UHFFFAOYSA-N 1 2 333.501 3.151 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccc(OC)c(C)c3)CC2)CCC1 ZINC001113314878 1369341760 /nfs/dbraw/zinc/34/17/60/1369341760.db2.gz PXCNRETXRRJMJS-UHFFFAOYSA-N 1 2 342.483 3.394 20 30 EGEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1 ZINC001113713792 1369581355 /nfs/dbraw/zinc/58/13/55/1369581355.db2.gz YQQKEMJLJHHBNS-KRWDZBQOSA-N 1 2 344.499 3.219 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H](C)N(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001113727958 1369590105 /nfs/dbraw/zinc/59/01/05/1369590105.db2.gz JPMCWXMUDXMYQW-CQSZACIVSA-N 1 2 344.503 3.207 20 30 EGEDLO C=CCCC1(C(=O)NC[C@@H](C)N(C)c2nc(C)[nH+]c(C)c2C)CC1 ZINC001113851369 1369633455 /nfs/dbraw/zinc/63/34/55/1369633455.db2.gz LGYPZYCFVTYMRM-CYBMUJFWSA-N 1 2 330.476 3.089 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)CC[C@@H]1C ZINC001114046010 1369700463 /nfs/dbraw/zinc/70/04/63/1369700463.db2.gz IXZPCSJAHSWKOH-SUMWQHHRSA-N 1 2 330.476 3.089 20 30 EGEDLO C[N@@H+]1CCc2c(C#N)c(NC(=O)Nc3ccc(F)cc3)sc2C1 ZINC001202341942 1369743625 /nfs/dbraw/zinc/74/36/25/1369743625.db2.gz JWNQIPQQXQGLAJ-UHFFFAOYSA-N 1 2 330.388 3.391 20 30 EGEDLO C[N@H+]1CCc2c(C#N)c(NC(=O)Nc3ccc(F)cc3)sc2C1 ZINC001202341942 1369743627 /nfs/dbraw/zinc/74/36/27/1369743627.db2.gz JWNQIPQQXQGLAJ-UHFFFAOYSA-N 1 2 330.388 3.391 20 30 EGEDLO CC#CCCCC(=O)NC1(CNc2cc[nH+]c(C)n2)CCCCC1 ZINC001114176384 1369777373 /nfs/dbraw/zinc/77/73/73/1369777373.db2.gz GFIJSHQFCLTFLG-UHFFFAOYSA-N 1 2 328.460 3.210 20 30 EGEDLO CC/C(C)=C\C(=O)NC1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@@H]12 ZINC001114242638 1369822356 /nfs/dbraw/zinc/82/23/56/1369822356.db2.gz PWUMBHYYXTYJLQ-UMCMPFFCSA-N 1 2 342.870 3.094 20 30 EGEDLO CC/C(C)=C\C(=O)NC1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@@H]12 ZINC001114242638 1369822362 /nfs/dbraw/zinc/82/23/62/1369822362.db2.gz PWUMBHYYXTYJLQ-UMCMPFFCSA-N 1 2 342.870 3.094 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3c(F)cccc3Cl)C[C@H]21 ZINC001114258372 1369833267 /nfs/dbraw/zinc/83/32/67/1369833267.db2.gz QTAQRIHNSAAGID-MCBXIFIFSA-N 1 2 348.849 3.075 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3c(F)cccc3Cl)C[C@H]21 ZINC001114258372 1369833270 /nfs/dbraw/zinc/83/32/70/1369833270.db2.gz QTAQRIHNSAAGID-MCBXIFIFSA-N 1 2 348.849 3.075 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@H](CCCC)CNc1cc[nH+]c(C)n1 ZINC001114325267 1369885350 /nfs/dbraw/zinc/88/53/50/1369885350.db2.gz UGZYVUAZRIAGSZ-MRXNPFEDSA-N 1 2 341.459 3.173 20 30 EGEDLO N#Cc1ncc(Nc2cc(Br)cn3cc[nH+]c23)cc1F ZINC001203050487 1369966970 /nfs/dbraw/zinc/96/69/70/1369966970.db2.gz UEUPEZABZUWONU-UHFFFAOYSA-N 1 2 332.136 3.246 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001114687197 1370024800 /nfs/dbraw/zinc/02/48/00/1370024800.db2.gz ZELLHGSJYQLNSM-NYTXWWLZSA-N 1 2 345.487 3.292 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001114687197 1370024805 /nfs/dbraw/zinc/02/48/05/1370024805.db2.gz ZELLHGSJYQLNSM-NYTXWWLZSA-N 1 2 345.487 3.292 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2C[C@H](CNc3cc[nH+]c(C)n3)C2)CCCC1 ZINC001114775959 1370074172 /nfs/dbraw/zinc/07/41/72/1370074172.db2.gz PJBNONUHVWYFJW-WKILWMFISA-N 1 2 328.460 3.228 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[C@@H]([NH2+]CC(F)(F)C(F)F)C12CCC2 ZINC001203338653 1370088864 /nfs/dbraw/zinc/08/88/64/1370088864.db2.gz COONAWHJNNSGGI-VXGBXAGGSA-N 1 2 336.373 3.260 20 30 EGEDLO C=CCO[C@@H](C)C(=O)N[C@@H](C)CCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001114955130 1370176320 /nfs/dbraw/zinc/17/63/20/1370176320.db2.gz FXPOBQVNMILCNL-HOCLYGCPSA-N 1 2 348.491 3.196 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@H](CNc2cc[nH+]c(C)n2)C2CC2)CC1 ZINC001115574182 1370577305 /nfs/dbraw/zinc/57/73/05/1370577305.db2.gz QRIIPAAYNRQNCQ-QGZVFWFLSA-N 1 2 328.460 3.180 20 30 EGEDLO N#Cc1cccc(COC2CC[NH+](CC(=O)c3cccs3)CC2)c1 ZINC001205595211 1370804716 /nfs/dbraw/zinc/80/47/16/1370804716.db2.gz CYYRGDDBUCLLPW-UHFFFAOYSA-N 1 2 340.448 3.484 20 30 EGEDLO COc1ncccc1C[NH+]1CCC(C#N)(c2ccccc2F)CC1 ZINC001206603683 1371106788 /nfs/dbraw/zinc/10/67/88/1371106788.db2.gz WZWOVFXVMOCQHX-UHFFFAOYSA-N 1 2 325.387 3.287 20 30 EGEDLO O/N=C1/CCc2cc(-c3ccc(C[NH+]4CCOCC4)cc3F)ccc21 ZINC001206734062 1371148368 /nfs/dbraw/zinc/14/83/68/1371148368.db2.gz OTKPVGXPOUZMGE-XDOYNYLZSA-N 1 2 340.398 3.449 20 30 EGEDLO CO/N=C/c1cc(-c2ccc(C[NH+]3CCOCC3)cc2F)ccc1F ZINC001206740299 1371150576 /nfs/dbraw/zinc/15/05/76/1371150576.db2.gz ZIMYONXZMNLTPV-WSDLNYQXSA-N 1 2 346.377 3.444 20 30 EGEDLO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3c(F)cncc3F)C2)c1 ZINC001206861936 1371192910 /nfs/dbraw/zinc/19/29/10/1371192910.db2.gz CIPWDZQKCHRQTL-HNNXBMFYSA-N 1 2 329.350 3.275 20 30 EGEDLO N#Cc1cccc(O[C@H]2CCC[N@H+](Cc3c(F)cncc3F)C2)c1 ZINC001206861936 1371192912 /nfs/dbraw/zinc/19/29/12/1371192912.db2.gz CIPWDZQKCHRQTL-HNNXBMFYSA-N 1 2 329.350 3.275 20 30 EGEDLO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3ncc(F)cc3F)C2)c1 ZINC001207098010 1371292981 /nfs/dbraw/zinc/29/29/81/1371292981.db2.gz DPZYXXPIMIPFDV-MRXNPFEDSA-N 1 2 329.350 3.275 20 30 EGEDLO N#Cc1cccc(O[C@@H]2CCC[N@H+](Cc3ncc(F)cc3F)C2)c1 ZINC001207098010 1371292986 /nfs/dbraw/zinc/29/29/86/1371292986.db2.gz DPZYXXPIMIPFDV-MRXNPFEDSA-N 1 2 329.350 3.275 20 30 EGEDLO C=CCN(CC[N@@H+]1CCCC(F)(F)[C@H](F)C1)C(=O)OC(C)(C)C ZINC001207198495 1371327341 /nfs/dbraw/zinc/32/73/41/1371327341.db2.gz DSUUMFVBVGISJI-CYBMUJFWSA-N 1 2 336.398 3.479 20 30 EGEDLO C=CCN(CC[N@H+]1CCCC(F)(F)[C@H](F)C1)C(=O)OC(C)(C)C ZINC001207198495 1371327345 /nfs/dbraw/zinc/32/73/45/1371327345.db2.gz DSUUMFVBVGISJI-CYBMUJFWSA-N 1 2 336.398 3.479 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2cccc(F)c2)nc1 ZINC001119525497 1371361766 /nfs/dbraw/zinc/36/17/66/1371361766.db2.gz ZNKXQFOMOYTBHR-KRWDZBQOSA-N 1 2 339.370 3.049 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2cccc(F)c2)nc1 ZINC001119525497 1371361770 /nfs/dbraw/zinc/36/17/70/1371361770.db2.gz ZNKXQFOMOYTBHR-KRWDZBQOSA-N 1 2 339.370 3.049 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](CC=C(Cl)Cl)C[C@H]1C ZINC001208315171 1371713280 /nfs/dbraw/zinc/71/32/80/1371713280.db2.gz NIAMOMFUVZVBOT-ZIAGYGMSSA-N 1 2 331.287 3.326 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](CC=C(Cl)Cl)C[C@H]1C ZINC001208315171 1371713285 /nfs/dbraw/zinc/71/32/85/1371713285.db2.gz NIAMOMFUVZVBOT-ZIAGYGMSSA-N 1 2 331.287 3.326 20 30 EGEDLO O=C1C=C2C[N@@H+](CC3CCN(c4ccccc4)CC3)CC[C@@H]2S1 ZINC001208908959 1371940601 /nfs/dbraw/zinc/94/06/01/1371940601.db2.gz QWZUULUGPMXPSD-SFHVURJKSA-N 1 2 328.481 3.177 20 30 EGEDLO O=C1C=C2C[N@H+](CC3CCN(c4ccccc4)CC3)CC[C@@H]2S1 ZINC001208908959 1371940604 /nfs/dbraw/zinc/94/06/04/1371940604.db2.gz QWZUULUGPMXPSD-SFHVURJKSA-N 1 2 328.481 3.177 20 30 EGEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@](C)(CCC)C1 ZINC001121714921 1372057807 /nfs/dbraw/zinc/05/78/07/1372057807.db2.gz JFTDXVBFTULKHQ-IBGZPJMESA-N 1 2 342.491 3.195 20 30 EGEDLO C=CCCCCCC[N@H+]1CCOC[C@@H]1CNC(=O)OC(C)(C)C ZINC001209440171 1372106939 /nfs/dbraw/zinc/10/69/39/1372106939.db2.gz DBGQOTRBGHHVKM-INIZCTEOSA-N 1 2 326.481 3.348 20 30 EGEDLO C=CCCCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)OC(C)(C)C ZINC001209440171 1372106942 /nfs/dbraw/zinc/10/69/42/1372106942.db2.gz DBGQOTRBGHHVKM-INIZCTEOSA-N 1 2 326.481 3.348 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@H]([NH2+]Cc3nnc(C(C)C)o3)C2)CCC1 ZINC001209503215 1372122272 /nfs/dbraw/zinc/12/22/72/1372122272.db2.gz HBXRXQMOWINDBG-HNNXBMFYSA-N 1 2 346.475 3.020 20 30 EGEDLO C=CCN(c1nnc([C@H]2CCC[N@H+]2C)n1Cc1ccccc1)C1CC1 ZINC001122156518 1372190082 /nfs/dbraw/zinc/19/00/82/1372190082.db2.gz YCUJIOUBBIEUMJ-GOSISDBHSA-N 1 2 337.471 3.248 20 30 EGEDLO C=CCN(c1nnc([C@H]2CCC[N@@H+]2C)n1Cc1ccccc1)C1CC1 ZINC001122156518 1372190085 /nfs/dbraw/zinc/19/00/85/1372190085.db2.gz YCUJIOUBBIEUMJ-GOSISDBHSA-N 1 2 337.471 3.248 20 30 EGEDLO N#Cc1ncc(Nc2ccccc2C[NH+]2CCOCC2)cc1Cl ZINC001209926777 1372231880 /nfs/dbraw/zinc/23/18/80/1372231880.db2.gz HQVRNQTYGRZBJO-UHFFFAOYSA-N 1 2 328.803 3.182 20 30 EGEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@H]1CC ZINC001122544677 1372270901 /nfs/dbraw/zinc/27/09/01/1372270901.db2.gz ZHPDRMCAOMPNQY-SJORKVTESA-N 1 2 347.507 3.015 20 30 EGEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@H]1CC ZINC001122544677 1372270907 /nfs/dbraw/zinc/27/09/07/1372270907.db2.gz ZHPDRMCAOMPNQY-SJORKVTESA-N 1 2 347.507 3.015 20 30 EGEDLO N#C[C@H]1C[NH2+]CCN1Cc1c(Cl)cc(Cl)cc1Br ZINC001210195825 1372292242 /nfs/dbraw/zinc/29/22/42/1372292242.db2.gz KFPAXOKMLSZHLE-VIFPVBQESA-N 1 2 349.059 3.053 20 30 EGEDLO CCOC(=O)CCCc1ccc(C#N)cc1Nc1c[nH+]c(C)c(N)c1 ZINC001210290781 1372314999 /nfs/dbraw/zinc/31/49/99/1372314999.db2.gz GFOWTEPGXGBXSH-UHFFFAOYSA-N 1 2 338.411 3.473 20 30 EGEDLO C=CCN(c1nnc([C@H]2CCC[N@H+]2C)n1Cc1cccs1)C1CC1 ZINC001122918045 1372341523 /nfs/dbraw/zinc/34/15/23/1372341523.db2.gz YMVNZKQJRQUOLC-MRXNPFEDSA-N 1 2 343.500 3.309 20 30 EGEDLO C=CCN(c1nnc([C@H]2CCC[N@@H+]2C)n1Cc1cccs1)C1CC1 ZINC001122918045 1372341526 /nfs/dbraw/zinc/34/15/26/1372341526.db2.gz YMVNZKQJRQUOLC-MRXNPFEDSA-N 1 2 343.500 3.309 20 30 EGEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)OCCc1cn2c([nH+]1)CCCC2 ZINC001122946129 1372345351 /nfs/dbraw/zinc/34/53/51/1372345351.db2.gz PLHVEVDKRPIFNF-HNNXBMFYSA-N 1 2 337.423 3.056 20 30 EGEDLO C=CCCCC(=O)N1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001123309013 1372421225 /nfs/dbraw/zinc/42/12/25/1372421225.db2.gz JELWIPGCSIKNQM-ZBFHGGJFSA-N 1 2 328.460 3.420 20 30 EGEDLO CCCCCCCCC(=O)N1CCC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC001210803994 1372429949 /nfs/dbraw/zinc/42/99/49/1372429949.db2.gz DDLCDLICTHCNSG-MRXNPFEDSA-N 1 2 336.480 3.209 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@@H]2CCC[C@H](Nc3cc[nH+]c(C)n3)[C@@H]2C1 ZINC001123485977 1372486087 /nfs/dbraw/zinc/48/60/87/1372486087.db2.gz DMBVWEWORDPUNO-BBWFWOEESA-N 1 2 342.487 3.426 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3nnc(C)o3)C[C@H]2C)CCCC1 ZINC001211495376 1372568743 /nfs/dbraw/zinc/56/87/43/1372568743.db2.gz KTSNASOJELZSCG-IJEWVQPXSA-N 1 2 346.475 3.012 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3nnc(C)o3)C[C@H]2C)CCCC1 ZINC001211495376 1372568745 /nfs/dbraw/zinc/56/87/45/1372568745.db2.gz KTSNASOJELZSCG-IJEWVQPXSA-N 1 2 346.475 3.012 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1CC[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001123827693 1372600692 /nfs/dbraw/zinc/60/06/92/1372600692.db2.gz FYFUJGKWCNPUSP-KBPBESRZSA-N 1 2 336.867 3.261 20 30 EGEDLO N#Cc1ccc(Nc2ccc[nH+]c2N2CCOCC2)c(F)c1Cl ZINC001212364718 1372695803 /nfs/dbraw/zinc/69/58/03/1372695803.db2.gz PXRJIFYRWUNHJX-UHFFFAOYSA-N 1 2 332.766 3.326 20 30 EGEDLO Cc1cc(NC[C@H](NC(=O)C#CC2CC2)C(C)(C)C)nc(C2CC2)[nH+]1 ZINC001125902537 1372886181 /nfs/dbraw/zinc/88/61/81/1372886181.db2.gz BQEOOWHSWGSPIM-INIZCTEOSA-N 1 2 340.471 3.019 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC001188080296 1388237336 /nfs/dbraw/zinc/23/73/36/1388237336.db2.gz ARICGRXUEIOTEZ-DOTOQJQBSA-N 1 2 347.528 3.485 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC001188080296 1388237340 /nfs/dbraw/zinc/23/73/40/1388237340.db2.gz ARICGRXUEIOTEZ-DOTOQJQBSA-N 1 2 347.528 3.485 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@H+](Cc3cnc(Cl)s3)C[C@H]21 ZINC001188080938 1388237736 /nfs/dbraw/zinc/23/77/36/1388237736.db2.gz QRZLPHDWTOQRDF-GXTWGEPZSA-N 1 2 339.892 3.186 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@@H+](Cc3cnc(Cl)s3)C[C@H]21 ZINC001188080938 1388237737 /nfs/dbraw/zinc/23/77/37/1388237737.db2.gz QRZLPHDWTOQRDF-GXTWGEPZSA-N 1 2 339.892 3.186 20 30 EGEDLO C=CC(C)(C)C(=O)NCc1cnn2c1C[N@H+](CCCCCC)CC2 ZINC001128437206 1373267130 /nfs/dbraw/zinc/26/71/30/1373267130.db2.gz IAXYGEHWIICEHG-UHFFFAOYSA-N 1 2 332.492 3.107 20 30 EGEDLO C=CC(C)(C)C(=O)NCc1cnn2c1C[N@@H+](CCCCCC)CC2 ZINC001128437206 1373267137 /nfs/dbraw/zinc/26/71/37/1373267137.db2.gz IAXYGEHWIICEHG-UHFFFAOYSA-N 1 2 332.492 3.107 20 30 EGEDLO C=CC(C)(C)C(=O)NCc1cnn2c1C[N@H+](CCCCCCC)CC2 ZINC001128437897 1373267212 /nfs/dbraw/zinc/26/72/12/1373267212.db2.gz OUCSEXYZURCSOZ-UHFFFAOYSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CC(C)(C)C(=O)NCc1cnn2c1C[N@@H+](CCCCCCC)CC2 ZINC001128437897 1373267213 /nfs/dbraw/zinc/26/72/13/1373267213.db2.gz OUCSEXYZURCSOZ-UHFFFAOYSA-N 1 2 346.519 3.498 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCc1cnn2c1C[N@H+](CC/C=C\CC)CC2 ZINC001128463634 1373272701 /nfs/dbraw/zinc/27/27/01/1373272701.db2.gz OKUFHOFTVWDUER-QWPQOLDESA-N 1 2 344.503 3.274 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCc1cnn2c1C[N@@H+](CC/C=C\CC)CC2 ZINC001128463634 1373272704 /nfs/dbraw/zinc/27/27/04/1373272704.db2.gz OKUFHOFTVWDUER-QWPQOLDESA-N 1 2 344.503 3.274 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)CCC3CCCCC3)c2C1 ZINC001128576179 1373292058 /nfs/dbraw/zinc/29/20/58/1373292058.db2.gz UPXQUUFZDVYWTI-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)CCC3CCCCC3)c2C1 ZINC001128576179 1373292061 /nfs/dbraw/zinc/29/20/61/1373292061.db2.gz UPXQUUFZDVYWTI-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO C=CCC[C@@H](C)[N@H+]1Cc2cnn(C3CCN(C(=O)CC)CC3)c2C1 ZINC001130161145 1373465804 /nfs/dbraw/zinc/46/58/04/1373465804.db2.gz OZBLTGHHXJFCMO-OAHLLOKOSA-N 1 2 330.476 3.127 20 30 EGEDLO C=CCC[C@@H](C)[N@@H+]1Cc2cnn(C3CCN(C(=O)CC)CC3)c2C1 ZINC001130161145 1373465807 /nfs/dbraw/zinc/46/58/07/1373465807.db2.gz OZBLTGHHXJFCMO-OAHLLOKOSA-N 1 2 330.476 3.127 20 30 EGEDLO Cc1cc(NC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)ncc1C#N ZINC001219692620 1373726156 /nfs/dbraw/zinc/72/61/56/1373726156.db2.gz QQDBEKDPHGBETB-KRWDZBQOSA-N 1 2 346.394 3.021 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)CCC(C)(C)C)C[C@H](C)O2 ZINC001131688832 1373764734 /nfs/dbraw/zinc/76/47/34/1373764734.db2.gz SAKWEOMZHYGFIJ-YJBOKZPZSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CCC(C)(C)C)C[C@H](C)O2 ZINC001131688832 1373764739 /nfs/dbraw/zinc/76/47/39/1373764739.db2.gz SAKWEOMZHYGFIJ-YJBOKZPZSA-N 1 2 342.911 3.257 20 30 EGEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccns4)C[C@H]32)CCCC1 ZINC001222152594 1373817784 /nfs/dbraw/zinc/81/77/84/1373817784.db2.gz WSFNBNLHNCZHGC-NVXWUHKLSA-N 1 2 345.512 3.312 20 30 EGEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccns4)C[C@H]32)CCCC1 ZINC001222152594 1373817790 /nfs/dbraw/zinc/81/77/90/1373817790.db2.gz WSFNBNLHNCZHGC-NVXWUHKLSA-N 1 2 345.512 3.312 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cccc(F)c2F)C1 ZINC001132002430 1375092095 /nfs/dbraw/zinc/09/20/95/1375092095.db2.gz JTORSZHWLXHADB-ZBFHGGJFSA-N 1 2 334.410 3.237 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cccc(F)c2F)C1 ZINC001132002430 1375092098 /nfs/dbraw/zinc/09/20/98/1375092098.db2.gz JTORSZHWLXHADB-ZBFHGGJFSA-N 1 2 334.410 3.237 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2csc(CCC)n2)C1 ZINC001132001953 1375092467 /nfs/dbraw/zinc/09/24/67/1375092467.db2.gz FWRPMKBIBQEJNO-JKSUJKDBSA-N 1 2 347.528 3.368 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2csc(CCC)n2)C1 ZINC001132001953 1375092475 /nfs/dbraw/zinc/09/24/75/1375092475.db2.gz FWRPMKBIBQEJNO-JKSUJKDBSA-N 1 2 347.528 3.368 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(F)cc2F)C1 ZINC001132003829 1375095134 /nfs/dbraw/zinc/09/51/34/1375095134.db2.gz ZZDBNQVVPVIMRS-RHSMWYFYSA-N 1 2 334.410 3.237 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(F)cc2F)C1 ZINC001132003829 1375095135 /nfs/dbraw/zinc/09/51/35/1375095135.db2.gz ZZDBNQVVPVIMRS-RHSMWYFYSA-N 1 2 334.410 3.237 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)/C=C(/C)CC)CC[C@H]1C ZINC001132013016 1375097047 /nfs/dbraw/zinc/09/70/47/1375097047.db2.gz GBDFHGHCQANDLK-RDNHTORASA-N 1 2 329.282 3.220 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)/C=C(/C)CC)CC[C@H]1C ZINC001132013016 1375097051 /nfs/dbraw/zinc/09/70/51/1375097051.db2.gz GBDFHGHCQANDLK-RDNHTORASA-N 1 2 329.282 3.220 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(F)c2F)C1 ZINC001132018488 1375101270 /nfs/dbraw/zinc/10/12/70/1375101270.db2.gz XPTNWYDGFAQBHG-GOEBONIOSA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(F)c2F)C1 ZINC001132018488 1375101273 /nfs/dbraw/zinc/10/12/73/1375101273.db2.gz XPTNWYDGFAQBHG-GOEBONIOSA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)CCC(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001225993581 1375186291 /nfs/dbraw/zinc/18/62/91/1375186291.db2.gz QEOQNCYICBUWET-UHFFFAOYSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001132215411 1375215059 /nfs/dbraw/zinc/21/50/59/1375215059.db2.gz XFXUECSWKXEAKJ-BBRMVZONSA-N 1 2 333.476 3.363 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001132215411 1375215061 /nfs/dbraw/zinc/21/50/61/1375215061.db2.gz XFXUECSWKXEAKJ-BBRMVZONSA-N 1 2 333.476 3.363 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC=C(Cl)Cl)C1 ZINC001132235595 1375230888 /nfs/dbraw/zinc/23/08/88/1375230888.db2.gz QBMKQCFNMWMMBP-ZIAGYGMSSA-N 1 2 331.287 3.468 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC=C(Cl)Cl)C1 ZINC001132235595 1375230894 /nfs/dbraw/zinc/23/08/94/1375230894.db2.gz QBMKQCFNMWMMBP-ZIAGYGMSSA-N 1 2 331.287 3.468 20 30 EGEDLO Cn1c[nH+]c(CCNC(=O)c2ccc(-c3ccc(C#N)c(F)c3)cc2)c1 ZINC001188709767 1388365497 /nfs/dbraw/zinc/36/54/97/1388365497.db2.gz GXRHJMFGHOYUHG-UHFFFAOYSA-N 1 2 348.381 3.070 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3nocc3C)C2)CC1 ZINC001132279465 1375263092 /nfs/dbraw/zinc/26/30/92/1375263092.db2.gz XFDSHGHRBSKQBP-HZPDHXFCSA-N 1 2 331.460 3.199 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3nocc3C)C2)CC1 ZINC001132279465 1375263094 /nfs/dbraw/zinc/26/30/94/1375263094.db2.gz XFDSHGHRBSKQBP-HZPDHXFCSA-N 1 2 331.460 3.199 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)CCC2CCC2)CC1 ZINC001226786404 1375334528 /nfs/dbraw/zinc/33/45/28/1375334528.db2.gz JIIOBTVWXPXYJN-UHFFFAOYSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)CC(C)(C)C2CC2)CC1 ZINC001227219335 1375407959 /nfs/dbraw/zinc/40/79/59/1375407959.db2.gz BKYFREJCGCCFHZ-UHFFFAOYSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)COc2cccc(C)c2)CC[C@H]1C ZINC001132486043 1375419849 /nfs/dbraw/zinc/41/98/49/1375419849.db2.gz LAOSNQZXDRMFGL-HZPDHXFCSA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)COc2cccc(C)c2)CC[C@H]1C ZINC001132486043 1375419854 /nfs/dbraw/zinc/41/98/54/1375419854.db2.gz LAOSNQZXDRMFGL-HZPDHXFCSA-N 1 2 336.863 3.095 20 30 EGEDLO C=CC(C)(C)C(=O)NC1CC[NH+]([C@@H](C)c2nc(CCCC)no2)CC1 ZINC001228631387 1375622735 /nfs/dbraw/zinc/62/27/35/1375622735.db2.gz KVVSKVCFUCIYAX-AWEZNQCLSA-N 1 2 348.491 3.266 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC1CC[NH+]([C@H](C)c2nc(C3CC3)no2)CC1 ZINC001228801395 1375682213 /nfs/dbraw/zinc/68/22/13/1375682213.db2.gz NLBFHHGPRBMGTD-KGLIPLIRSA-N 1 2 346.475 3.191 20 30 EGEDLO C=CCCC1(C(=O)NC2CC[NH+](Cc3csc(C)n3)CC2)CC1 ZINC001229048245 1375750812 /nfs/dbraw/zinc/75/08/12/1375750812.db2.gz AMUOGQUEIMPDCK-UHFFFAOYSA-N 1 2 333.501 3.279 20 30 EGEDLO C=CCC(C)(C)C(=O)NC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC001229369433 1375820899 /nfs/dbraw/zinc/82/08/99/1375820899.db2.gz NTNRIUXXQKBYOU-UHFFFAOYSA-N 1 2 335.517 3.388 20 30 EGEDLO C=CCC(C)(C)C(=O)NC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC001229377161 1375822633 /nfs/dbraw/zinc/82/26/33/1375822633.db2.gz QHLARWXOHSKULB-UHFFFAOYSA-N 1 2 331.460 3.235 20 30 EGEDLO C=CCC1(C(=O)NC2CC[NH+](Cc3nocc3C)CC2)CCCC1 ZINC001230476019 1376034923 /nfs/dbraw/zinc/03/49/23/1376034923.db2.gz ZQRSRROACJWADV-UHFFFAOYSA-N 1 2 331.460 3.200 20 30 EGEDLO C=C(Cl)C[N@H+](CCCNC(=O)C=C1CCC1)Cc1cccnc1 ZINC001230731778 1376137133 /nfs/dbraw/zinc/13/71/33/1376137133.db2.gz MPUYCHDPFIEHML-UHFFFAOYSA-N 1 2 333.863 3.253 20 30 EGEDLO C=C(Cl)C[N@@H+](CCCNC(=O)C=C1CCC1)Cc1cccnc1 ZINC001230731778 1376137135 /nfs/dbraw/zinc/13/71/35/1376137135.db2.gz MPUYCHDPFIEHML-UHFFFAOYSA-N 1 2 333.863 3.253 20 30 EGEDLO C[C@H](C#N)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1c(Cl)oc2ccccc21 ZINC001231294171 1376222543 /nfs/dbraw/zinc/22/25/43/1376222543.db2.gz VTCCZQCTVJUQDQ-CHWSQXEVSA-N 1 2 345.830 3.279 20 30 EGEDLO C[C@H](C#N)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1c(Cl)oc2ccccc21 ZINC001231294171 1376222544 /nfs/dbraw/zinc/22/25/44/1376222544.db2.gz VTCCZQCTVJUQDQ-CHWSQXEVSA-N 1 2 345.830 3.279 20 30 EGEDLO C=CCOc1cccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001231621004 1376283205 /nfs/dbraw/zinc/28/32/05/1376283205.db2.gz LGEWCKWBXAMSMV-UHFFFAOYSA-N 1 2 332.444 3.304 20 30 EGEDLO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@H+]1Cc1cc(C#N)ccc1O ZINC001232674197 1376499134 /nfs/dbraw/zinc/49/91/34/1376499134.db2.gz STXFVVKUABZEGQ-OKILXGFUSA-N 1 2 345.443 3.094 20 30 EGEDLO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232674197 1376499137 /nfs/dbraw/zinc/49/91/37/1376499137.db2.gz STXFVVKUABZEGQ-OKILXGFUSA-N 1 2 345.443 3.094 20 30 EGEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CC2)CC(=O)c2ccccc2O3)c1 ZINC001232678516 1376499815 /nfs/dbraw/zinc/49/98/15/1376499815.db2.gz BQCYLCLZZJOIPP-UHFFFAOYSA-N 1 2 348.402 3.264 20 30 EGEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC001232891002 1376534272 /nfs/dbraw/zinc/53/42/72/1376534272.db2.gz UMEKMGUOJAHQGZ-UHFFFAOYSA-N 1 2 328.362 3.320 20 30 EGEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(N2C(=O)Cc3ccccc32)CC1 ZINC001232891039 1376534920 /nfs/dbraw/zinc/53/49/20/1376534920.db2.gz VLJQVLOGKAKBRY-UHFFFAOYSA-N 1 2 349.409 3.251 20 30 EGEDLO Cc1ccc(C[N@@H+]2CCCN(C(=O)C3CCCCC3)CC2)c(C#N)c1 ZINC001232968395 1376549644 /nfs/dbraw/zinc/54/96/44/1376549644.db2.gz IGZWDNQUNAOSAW-UHFFFAOYSA-N 1 2 339.483 3.481 20 30 EGEDLO Cc1ccc(C[N@H+]2CCCN(C(=O)C3CCCCC3)CC2)c(C#N)c1 ZINC001232968395 1376549646 /nfs/dbraw/zinc/54/96/46/1376549646.db2.gz IGZWDNQUNAOSAW-UHFFFAOYSA-N 1 2 339.483 3.481 20 30 EGEDLO CC(C)(C)OC(=O)N1CCCC[C@@]12CC[N@H+](Cc1[nH]ccc1C#N)C2 ZINC001233045587 1376560575 /nfs/dbraw/zinc/56/05/75/1376560575.db2.gz GCMAUCUPJJGNOE-IBGZPJMESA-N 1 2 344.459 3.252 20 30 EGEDLO CC(C)(C)OC(=O)N1CCCC[C@@]12CC[N@@H+](Cc1[nH]ccc1C#N)C2 ZINC001233045587 1376560580 /nfs/dbraw/zinc/56/05/80/1376560580.db2.gz GCMAUCUPJJGNOE-IBGZPJMESA-N 1 2 344.459 3.252 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@@H]21 ZINC001233079506 1376564840 /nfs/dbraw/zinc/56/48/40/1376564840.db2.gz GALBJFWFFRBTFZ-QKNQBKEWSA-N 1 2 349.434 3.073 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@@H]21 ZINC001233079506 1376564846 /nfs/dbraw/zinc/56/48/46/1376564846.db2.gz GALBJFWFFRBTFZ-QKNQBKEWSA-N 1 2 349.434 3.073 20 30 EGEDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](Cc2ccc(C#N)cc2O)C1 ZINC001233386393 1376633442 /nfs/dbraw/zinc/63/34/42/1376633442.db2.gz RUUCCRYMMGYRLN-UHFFFAOYSA-N 1 2 347.418 3.322 20 30 EGEDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](Cc2ccc(C#N)cc2O)C1 ZINC001233386393 1376633445 /nfs/dbraw/zinc/63/34/45/1376633445.db2.gz RUUCCRYMMGYRLN-UHFFFAOYSA-N 1 2 347.418 3.322 20 30 EGEDLO CCN(Cc1ccc(C#N)cc1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001233386617 1376634000 /nfs/dbraw/zinc/63/40/00/1376634000.db2.gz AWJFHNROTQXVIL-HXUWFJFHSA-N 1 2 335.451 3.360 20 30 EGEDLO CCN(Cc1ccc(C#N)cc1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001233386617 1376634003 /nfs/dbraw/zinc/63/40/03/1376634003.db2.gz AWJFHNROTQXVIL-HXUWFJFHSA-N 1 2 335.451 3.360 20 30 EGEDLO COc1ccc(C#N)c(C(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001189083832 1388454669 /nfs/dbraw/zinc/45/46/69/1388454669.db2.gz AHTIKAYNJCULLP-UHFFFAOYSA-N 1 2 346.390 3.025 20 30 EGEDLO CCC(=CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)CC ZINC001233600226 1376679185 /nfs/dbraw/zinc/67/91/85/1376679185.db2.gz IPSMMWBMLXRFHA-FQEVSTJZSA-N 1 2 342.458 3.456 20 30 EGEDLO CCC(=CC(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)CC ZINC001233600226 1376679187 /nfs/dbraw/zinc/67/91/87/1376679187.db2.gz IPSMMWBMLXRFHA-FQEVSTJZSA-N 1 2 342.458 3.456 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)c1ccc(F)c(F)c1 ZINC001233916236 1376736574 /nfs/dbraw/zinc/73/65/74/1376736574.db2.gz VEQTWSCEGPGWKR-ZBFHGGJFSA-N 1 2 334.410 3.362 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)c1ccc(F)c(F)c1 ZINC001233916236 1376736579 /nfs/dbraw/zinc/73/65/79/1376736579.db2.gz VEQTWSCEGPGWKR-ZBFHGGJFSA-N 1 2 334.410 3.362 20 30 EGEDLO CC/C(C)=C/C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001234129984 1376772385 /nfs/dbraw/zinc/77/23/85/1376772385.db2.gz LICPVVIULWPRTL-RKCSUWQLSA-N 1 2 329.419 3.086 20 30 EGEDLO CC/C(C)=C/C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001234129984 1376772403 /nfs/dbraw/zinc/77/24/03/1376772403.db2.gz LICPVVIULWPRTL-RKCSUWQLSA-N 1 2 329.419 3.086 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1cccc(Cl)c1)C(=O)C#CC(C)(C)C ZINC001234196444 1376783874 /nfs/dbraw/zinc/78/38/74/1376783874.db2.gz UASKNWFJRCEDDD-KRWDZBQOSA-N 1 2 332.875 3.422 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1cccc(Cl)c1)C(=O)C#CC(C)(C)C ZINC001234196444 1376783876 /nfs/dbraw/zinc/78/38/76/1376783876.db2.gz UASKNWFJRCEDDD-KRWDZBQOSA-N 1 2 332.875 3.422 20 30 EGEDLO COc1ccc(-c2ccc(F)c(C#N)c2)c(C[NH+]2CCOCC2)c1 ZINC001235897533 1376914126 /nfs/dbraw/zinc/91/41/26/1376914126.db2.gz AOZCAPQGKDDRIN-UHFFFAOYSA-N 1 2 326.371 3.205 20 30 EGEDLO C=CC1(CC(=O)NCC[NH2+][C@H](C)c2nc(C3CC3)no2)CCCCC1 ZINC001135196933 1376967861 /nfs/dbraw/zinc/96/78/61/1376967861.db2.gz PCIRPHBEVXOYPI-CQSZACIVSA-N 1 2 346.475 3.240 20 30 EGEDLO CCc1cc(-c2ccc(OCC[NH+]3CCOCC3)cc2)ccc1C#N ZINC001244952918 1377041395 /nfs/dbraw/zinc/04/13/95/1377041395.db2.gz SHRWGUTZHMJYCN-UHFFFAOYSA-N 1 2 336.435 3.499 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCc2ccc(Cl)cc2)C1 ZINC001266332840 1377278664 /nfs/dbraw/zinc/27/86/64/1377278664.db2.gz BCWMVBPOXAGGEL-HNNXBMFYSA-N 1 2 327.255 3.216 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCc2ccc(Cl)cc2)C1 ZINC001266332840 1377278666 /nfs/dbraw/zinc/27/86/66/1377278666.db2.gz BCWMVBPOXAGGEL-HNNXBMFYSA-N 1 2 327.255 3.216 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)COc2c(C)cccc2C)C1 ZINC001268114196 1377487259 /nfs/dbraw/zinc/48/72/59/1377487259.db2.gz NVLUWIFHOUULIL-MRXNPFEDSA-N 1 2 336.863 3.015 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)COc2c(C)cccc2C)C1 ZINC001268114196 1377487261 /nfs/dbraw/zinc/48/72/61/1377487261.db2.gz NVLUWIFHOUULIL-MRXNPFEDSA-N 1 2 336.863 3.015 20 30 EGEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2cscn2)CC1 ZINC001137596918 1377570193 /nfs/dbraw/zinc/57/01/93/1377570193.db2.gz HHLLZAXDTQQZCA-UHFFFAOYSA-N 1 2 329.425 3.067 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001137655471 1377583354 /nfs/dbraw/zinc/58/33/54/1377583354.db2.gz PDSBRHREWVAYNS-CYBMUJFWSA-N 1 2 326.799 3.356 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001137655471 1377583355 /nfs/dbraw/zinc/58/33/55/1377583355.db2.gz PDSBRHREWVAYNS-CYBMUJFWSA-N 1 2 326.799 3.356 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)COc2ccc(C)cc2C)C1 ZINC001270659679 1377610029 /nfs/dbraw/zinc/61/00/29/1377610029.db2.gz VZNPOTHHTRBJDT-GOSISDBHSA-N 1 2 336.863 3.015 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)COc2ccc(C)cc2C)C1 ZINC001270659679 1377610030 /nfs/dbraw/zinc/61/00/30/1377610030.db2.gz VZNPOTHHTRBJDT-GOSISDBHSA-N 1 2 336.863 3.015 20 30 EGEDLO CCOC(=O)C[N@H+](C)Cc1ccc(N(C)c2ccc(C#N)cc2)cc1 ZINC001137899891 1377641133 /nfs/dbraw/zinc/64/11/33/1377641133.db2.gz KBNYTBJZTNKALV-UHFFFAOYSA-N 1 2 337.423 3.321 20 30 EGEDLO CCOC(=O)C[N@@H+](C)Cc1ccc(N(C)c2ccc(C#N)cc2)cc1 ZINC001137899891 1377641135 /nfs/dbraw/zinc/64/11/35/1377641135.db2.gz KBNYTBJZTNKALV-UHFFFAOYSA-N 1 2 337.423 3.321 20 30 EGEDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N(C)c2ccc(C#N)cc2)cc1 ZINC001137902962 1377641950 /nfs/dbraw/zinc/64/19/50/1377641950.db2.gz ZBIKLUXFIKOJAB-OAHLLOKOSA-N 1 2 337.423 3.319 20 30 EGEDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N(C)c2ccc(C#N)cc2)cc1 ZINC001137902962 1377641954 /nfs/dbraw/zinc/64/19/54/1377641954.db2.gz ZBIKLUXFIKOJAB-OAHLLOKOSA-N 1 2 337.423 3.319 20 30 EGEDLO COc1ccc2c(C[NH+]3CC(Oc4ccccc4C#N)C3)c[nH]c2c1 ZINC001138590866 1377749859 /nfs/dbraw/zinc/74/98/59/1377749859.db2.gz FFABZEQYLSQSMQ-UHFFFAOYSA-N 1 2 333.391 3.311 20 30 EGEDLO O=C1C=C2C[N@H+](Cc3cccn3-c3ccccc3F)CC[C@H]2S1 ZINC001138631974 1377757376 /nfs/dbraw/zinc/75/73/76/1377757376.db2.gz JFWNZPMGONKRBU-QGZVFWFLSA-N 1 2 328.412 3.391 20 30 EGEDLO O=C1C=C2C[N@@H+](Cc3cccn3-c3ccccc3F)CC[C@H]2S1 ZINC001138631974 1377757380 /nfs/dbraw/zinc/75/73/80/1377757380.db2.gz JFWNZPMGONKRBU-QGZVFWFLSA-N 1 2 328.412 3.391 20 30 EGEDLO COC(=O)C1(C#N)CC[NH+](Cc2c(Cl)[nH]c3ccccc32)CC1 ZINC001138688664 1377767757 /nfs/dbraw/zinc/76/77/57/1377767757.db2.gz HTZAKDVYBOIGBT-UHFFFAOYSA-N 1 2 331.803 3.100 20 30 EGEDLO C=CCn1cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C2)cn1 ZINC001139768166 1377948209 /nfs/dbraw/zinc/94/82/09/1377948209.db2.gz JIGAXWOSDFYUSD-KRWDZBQOSA-N 1 2 348.491 3.146 20 30 EGEDLO C=CCn1cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C2)cn1 ZINC001139768166 1377948210 /nfs/dbraw/zinc/94/82/10/1377948210.db2.gz JIGAXWOSDFYUSD-KRWDZBQOSA-N 1 2 348.491 3.146 20 30 EGEDLO C=CCn1cc(C[N@@H+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)cn1 ZINC001139772782 1377949142 /nfs/dbraw/zinc/94/91/42/1377949142.db2.gz QLZZPTPVMXMKOH-SFHVURJKSA-N 1 2 331.847 3.470 20 30 EGEDLO C=CCn1cc(C[N@H+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)cn1 ZINC001139772782 1377949145 /nfs/dbraw/zinc/94/91/45/1377949145.db2.gz QLZZPTPVMXMKOH-SFHVURJKSA-N 1 2 331.847 3.470 20 30 EGEDLO C=CCn1cc(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)cn1 ZINC001139774770 1377949762 /nfs/dbraw/zinc/94/97/62/1377949762.db2.gz VGCZPVACCGFRHY-HOTGVXAUSA-N 1 2 328.847 3.186 20 30 EGEDLO C=CCn1cc(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)cn1 ZINC001139774770 1377949763 /nfs/dbraw/zinc/94/97/63/1377949763.db2.gz VGCZPVACCGFRHY-HOTGVXAUSA-N 1 2 328.847 3.186 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2cc(F)cc(C#N)c2)CC12CC2 ZINC001139873341 1377969084 /nfs/dbraw/zinc/96/90/84/1377969084.db2.gz LETWBKPXZULUMI-MRXNPFEDSA-N 1 2 345.418 3.186 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)cc(C#N)c2)CC12CC2 ZINC001139873341 1377969087 /nfs/dbraw/zinc/96/90/87/1377969087.db2.gz LETWBKPXZULUMI-MRXNPFEDSA-N 1 2 345.418 3.186 20 30 EGEDLO N#Cc1ccc2[nH]cc(CN3CC[NH+](Cc4cccc(F)c4)CC3)c2c1 ZINC001140114477 1378010427 /nfs/dbraw/zinc/01/04/27/1378010427.db2.gz QXJMAZMGWLERJU-UHFFFAOYSA-N 1 2 348.425 3.496 20 30 EGEDLO CC(C)(C)OC(=O)NC1CC2(C1)C[NH+](Cc1ccc(C#N)cc1F)C2 ZINC001140139089 1378018812 /nfs/dbraw/zinc/01/88/12/1378018812.db2.gz CIAXKWRLJBQQJS-UHFFFAOYSA-N 1 2 345.418 3.186 20 30 EGEDLO C#CC[NH+](CC#C)Cc1cn(C(=O)OC(C)(C)C)c2ccc(C#N)cc12 ZINC001140441631 1378062856 /nfs/dbraw/zinc/06/28/56/1378062856.db2.gz UJLJLEXHEQIVNP-UHFFFAOYSA-N 1 2 347.418 3.365 20 30 EGEDLO CC(C)(C)OC(=O)NCC1C[NH+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140600526 1378095814 /nfs/dbraw/zinc/09/58/14/1378095814.db2.gz MUBXJRWAGCAUAW-UHFFFAOYSA-N 1 2 335.835 3.168 20 30 EGEDLO N#CCCCN1CC[C@]2(CCC[N@H+]2Cc2cc(F)ccc2Cl)C1=O ZINC001273375033 1378100699 /nfs/dbraw/zinc/10/06/99/1378100699.db2.gz SSXBSFRDNJZQCU-GOSISDBHSA-N 1 2 349.837 3.350 20 30 EGEDLO N#CCCCN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)ccc2Cl)C1=O ZINC001273375033 1378100701 /nfs/dbraw/zinc/10/07/01/1378100701.db2.gz SSXBSFRDNJZQCU-GOSISDBHSA-N 1 2 349.837 3.350 20 30 EGEDLO C=C(C)CN1CCC2(CC[NH+](Cc3ccc(S)cc3)CC2)C1=O ZINC001274111948 1378116439 /nfs/dbraw/zinc/11/64/39/1378116439.db2.gz AXONPVSAPRIOSZ-UHFFFAOYSA-N 1 2 330.497 3.366 20 30 EGEDLO N#Cc1c(N)sc(C[N@@H+]2CCc3cc(C#N)ccc3C2)c1Cl ZINC001141107604 1378240921 /nfs/dbraw/zinc/24/09/21/1378240921.db2.gz ZQVUCZFXLMLPMX-UHFFFAOYSA-N 1 2 328.828 3.285 20 30 EGEDLO N#Cc1c(N)sc(C[N@H+]2CCc3cc(C#N)ccc3C2)c1Cl ZINC001141107604 1378240926 /nfs/dbraw/zinc/24/09/26/1378240926.db2.gz ZQVUCZFXLMLPMX-UHFFFAOYSA-N 1 2 328.828 3.285 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(I)cs2)C1 ZINC001141865231 1378388125 /nfs/dbraw/zinc/38/81/25/1378388125.db2.gz ZZDRACAOIRQDEX-SNVBAGLBSA-N 1 2 346.237 3.478 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(I)cs2)C1 ZINC001141865231 1378388131 /nfs/dbraw/zinc/38/81/31/1378388131.db2.gz ZZDRACAOIRQDEX-SNVBAGLBSA-N 1 2 346.237 3.478 20 30 EGEDLO C#CCCC1(CCNC(=O)/C=C/c2ccc(Cn3cc[nH+]c3)cc2)N=N1 ZINC001142374226 1378436477 /nfs/dbraw/zinc/43/64/77/1378436477.db2.gz OBCUHSCTEQLPCF-CMDGGOBGSA-N 1 2 347.422 3.026 20 30 EGEDLO C#C[C@@H]1CCC[N@@H+](Cc2c(F)ccc(Br)c2OC)C1 ZINC001142893119 1378506093 /nfs/dbraw/zinc/50/60/93/1378506093.db2.gz OCCDJNFYZBYAGP-LLVKDONJSA-N 1 2 326.209 3.442 20 30 EGEDLO C#C[C@@H]1CCC[N@H+](Cc2c(F)ccc(Br)c2OC)C1 ZINC001142893119 1378506096 /nfs/dbraw/zinc/50/60/96/1378506096.db2.gz OCCDJNFYZBYAGP-LLVKDONJSA-N 1 2 326.209 3.442 20 30 EGEDLO C[C@H](NC(=O)C(C)(C)C1CC1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001282734363 1378583610 /nfs/dbraw/zinc/58/36/10/1378583610.db2.gz DRYSQTHIPNILBS-ZDUSSCGKSA-N 1 2 343.446 3.070 20 30 EGEDLO COc1cc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)ccc1C(F)(F)F ZINC001143343190 1378583589 /nfs/dbraw/zinc/58/35/89/1378583589.db2.gz IIIALAWIDZMPPW-CQSZACIVSA-N 1 2 343.370 3.488 20 30 EGEDLO COc1cc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)ccc1C(F)(F)F ZINC001143343190 1378583595 /nfs/dbraw/zinc/58/35/95/1378583595.db2.gz IIIALAWIDZMPPW-CQSZACIVSA-N 1 2 343.370 3.488 20 30 EGEDLO Cc1ccc2c(c1)C(=O)CC1(CC[NH+](Cc3cncc(C#N)c3)CC1)O2 ZINC001144083945 1378680626 /nfs/dbraw/zinc/68/06/26/1378680626.db2.gz ZRHHJFRPXGBQPI-UHFFFAOYSA-N 1 2 347.418 3.262 20 30 EGEDLO CC/C(C)=C/C(=O)N1CC2(C1)CC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001147490552 1379032572 /nfs/dbraw/zinc/03/25/72/1379032572.db2.gz NXHYWIVZLVOQFR-OVCLIPMQSA-N 1 2 341.430 3.088 20 30 EGEDLO CC/C(C)=C/C(=O)N1CC2(C1)CC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001147490552 1379032574 /nfs/dbraw/zinc/03/25/74/1379032574.db2.gz NXHYWIVZLVOQFR-OVCLIPMQSA-N 1 2 341.430 3.088 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nnc(C)s1)C2 ZINC001148124781 1379120992 /nfs/dbraw/zinc/12/09/92/1379120992.db2.gz HMHFFPSUZDAWMF-ZFWWWQNUSA-N 1 2 348.516 3.044 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nnc(C)s1)C2 ZINC001148124781 1379120994 /nfs/dbraw/zinc/12/09/94/1379120994.db2.gz HMHFFPSUZDAWMF-ZFWWWQNUSA-N 1 2 348.516 3.044 20 30 EGEDLO C=CC[C@H](C(=O)NCC[NH2+][C@H](C)c1ncc(C)o1)c1ccccc1 ZINC001151838582 1379795197 /nfs/dbraw/zinc/79/51/97/1379795197.db2.gz VUWQBZPOBOCECZ-WBVHZDCISA-N 1 2 327.428 3.110 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)/C=C(\C)C1CC1 ZINC001152127794 1379868315 /nfs/dbraw/zinc/86/83/15/1379868315.db2.gz CKLBINLLIWEVAF-RUNBWSAHSA-N 1 2 329.282 3.078 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)/C=C(\C)C1CC1 ZINC001152127794 1379868317 /nfs/dbraw/zinc/86/83/17/1379868317.db2.gz CKLBINLLIWEVAF-RUNBWSAHSA-N 1 2 329.282 3.078 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C=C1CCC1 ZINC001152706408 1379973658 /nfs/dbraw/zinc/97/36/58/1379973658.db2.gz HKEMDWSFKGXKDW-CQSZACIVSA-N 1 2 329.419 3.134 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C=C1CCC1 ZINC001152706408 1379973662 /nfs/dbraw/zinc/97/36/62/1379973662.db2.gz HKEMDWSFKGXKDW-CQSZACIVSA-N 1 2 329.419 3.134 20 30 EGEDLO CC[N@H+](Cc1cc(C(C)(C)C)on1)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153281266 1380048430 /nfs/dbraw/zinc/04/84/30/1380048430.db2.gz IMLAQYBXEHLUCB-OAHLLOKOSA-N 1 2 347.503 3.348 20 30 EGEDLO CC[N@@H+](Cc1cc(C(C)(C)C)on1)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153281266 1380048438 /nfs/dbraw/zinc/04/84/38/1380048438.db2.gz IMLAQYBXEHLUCB-OAHLLOKOSA-N 1 2 347.503 3.348 20 30 EGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC=C(Cl)Cl ZINC001153441887 1380077609 /nfs/dbraw/zinc/07/76/09/1380077609.db2.gz QOHHDBMVDJGUBA-MCIONIFRSA-N 1 2 349.302 3.113 20 30 EGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC=C(Cl)Cl ZINC001153441887 1380077613 /nfs/dbraw/zinc/07/76/13/1380077613.db2.gz QOHHDBMVDJGUBA-MCIONIFRSA-N 1 2 349.302 3.113 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@H]1CC=CCC1 ZINC001154614749 1380317313 /nfs/dbraw/zinc/31/73/13/1380317313.db2.gz CJENWEXJNBKHPP-CABCVRRESA-N 1 2 343.309 3.468 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C[C@H]1CC=CCC1 ZINC001154614749 1380317318 /nfs/dbraw/zinc/31/73/18/1380317318.db2.gz CJENWEXJNBKHPP-CABCVRRESA-N 1 2 343.309 3.468 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 ZINC001154674071 1380328997 /nfs/dbraw/zinc/32/89/97/1380328997.db2.gz DCAPWTUHZOHISN-UHFFFAOYSA-N 1 2 335.407 3.372 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C1CCC(=C)CC1 ZINC001155027927 1380393896 /nfs/dbraw/zinc/39/38/96/1380393896.db2.gz CHWKAZOAAGFXSM-CQSZACIVSA-N 1 2 343.309 3.468 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C1CCC(=C)CC1 ZINC001155027927 1380393898 /nfs/dbraw/zinc/39/38/98/1380393898.db2.gz CHWKAZOAAGFXSM-CQSZACIVSA-N 1 2 343.309 3.468 20 30 EGEDLO C=CCCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2ncc(CC)o2)CC1 ZINC001155037564 1380396820 /nfs/dbraw/zinc/39/68/20/1380396820.db2.gz WDIQULFYQBSCTB-OAHLLOKOSA-N 1 2 333.476 3.310 20 30 EGEDLO C=CCCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2ncc(CC)o2)CC1 ZINC001155037564 1380396823 /nfs/dbraw/zinc/39/68/23/1380396823.db2.gz WDIQULFYQBSCTB-OAHLLOKOSA-N 1 2 333.476 3.310 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(Cl)n1C ZINC001155489929 1380459847 /nfs/dbraw/zinc/45/98/47/1380459847.db2.gz OSGIALSZNYTJCM-CYBMUJFWSA-N 1 2 340.899 3.002 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(Cl)n1C ZINC001155489929 1380459848 /nfs/dbraw/zinc/45/98/48/1380459848.db2.gz OSGIALSZNYTJCM-CYBMUJFWSA-N 1 2 340.899 3.002 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC=C(Cl)Cl ZINC001155757361 1380489350 /nfs/dbraw/zinc/48/93/50/1380489350.db2.gz KIPDEQUOASSSCB-IPYPFGDCSA-N 1 2 349.302 3.113 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC=C(Cl)Cl ZINC001155757361 1380489351 /nfs/dbraw/zinc/48/93/51/1380489351.db2.gz KIPDEQUOASSSCB-IPYPFGDCSA-N 1 2 349.302 3.113 20 30 EGEDLO N#C[C@H]1C[NH2+]CCN1c1ccc2cc(OCc3ccccc3)ccc2n1 ZINC001156320304 1380558083 /nfs/dbraw/zinc/55/80/83/1380558083.db2.gz WMCJCAJWDFFNAS-SFHVURJKSA-N 1 2 344.418 3.116 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCC ZINC001157561762 1380965875 /nfs/dbraw/zinc/96/58/75/1380965875.db2.gz RBSIDUZPIHGBEA-CQSZACIVSA-N 1 2 331.298 3.398 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCCC ZINC001157561762 1380965876 /nfs/dbraw/zinc/96/58/76/1380965876.db2.gz RBSIDUZPIHGBEA-CQSZACIVSA-N 1 2 331.298 3.398 20 30 EGEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC001157884653 1381060414 /nfs/dbraw/zinc/06/04/14/1381060414.db2.gz DFDNOPZIJTUQOV-QGZVFWFLSA-N 1 2 343.471 3.168 20 30 EGEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(C2CC2)o1 ZINC001157884653 1381060420 /nfs/dbraw/zinc/06/04/20/1381060420.db2.gz DFDNOPZIJTUQOV-QGZVFWFLSA-N 1 2 343.471 3.168 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)C[C@@H](C)CC)CC1 ZINC001159940115 1381943416 /nfs/dbraw/zinc/94/34/16/1381943416.db2.gz BVVSVMFRWDXYLE-ZDUSSCGKSA-N 1 2 343.309 3.470 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)C[C@@H](C)CC)CC1 ZINC001159940115 1381943422 /nfs/dbraw/zinc/94/34/22/1381943422.db2.gz BVVSVMFRWDXYLE-ZDUSSCGKSA-N 1 2 343.309 3.470 20 30 EGEDLO C=C(C)CCC(=O)NCCC1=CC[N@H+]([C@@H](C)c2nnc(CC)o2)CC1 ZINC001160264590 1382055309 /nfs/dbraw/zinc/05/53/09/1382055309.db2.gz SOCIUERFEMBZAY-HNNXBMFYSA-N 1 2 346.475 3.188 20 30 EGEDLO C=C(C)CCC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nnc(CC)o2)CC1 ZINC001160264590 1382055316 /nfs/dbraw/zinc/05/53/16/1382055316.db2.gz SOCIUERFEMBZAY-HNNXBMFYSA-N 1 2 346.475 3.188 20 30 EGEDLO N#Cc1ccc(Nc2ccc(O[C@@H]3CC[NH2+]CC3(F)F)cc2)c(N)c1 ZINC001160347853 1382080083 /nfs/dbraw/zinc/08/00/83/1382080083.db2.gz GZMHUWRIAMFEHD-QGZVFWFLSA-N 1 2 344.365 3.260 20 30 EGEDLO C#CCCN1CCC[C@@H](Nc2[nH+]ccc3cc(Cl)ccc32)C1=O ZINC001160898775 1382227319 /nfs/dbraw/zinc/22/73/19/1382227319.db2.gz STFVYXDKHLXGMR-MRXNPFEDSA-N 1 2 327.815 3.314 20 30 EGEDLO CC[C@@H](F)C(=O)NCCC1=CC[N@H+](Cc2cc(F)ccc2C#N)CC1 ZINC001160904959 1382229393 /nfs/dbraw/zinc/22/93/93/1382229393.db2.gz YEZXYNLJPWIWEV-GOSISDBHSA-N 1 2 347.409 3.084 20 30 EGEDLO CC[C@@H](F)C(=O)NCCC1=CC[N@@H+](Cc2cc(F)ccc2C#N)CC1 ZINC001160904959 1382229397 /nfs/dbraw/zinc/22/93/97/1382229397.db2.gz YEZXYNLJPWIWEV-GOSISDBHSA-N 1 2 347.409 3.084 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2nc(C)c(C)o2)CC1 ZINC001160941799 1382244240 /nfs/dbraw/zinc/24/42/40/1382244240.db2.gz QAAIPLJELMNRJJ-GJZGRUSLSA-N 1 2 345.487 3.388 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2nc(C)c(C)o2)CC1 ZINC001160941799 1382244243 /nfs/dbraw/zinc/24/42/43/1382244243.db2.gz QAAIPLJELMNRJJ-GJZGRUSLSA-N 1 2 345.487 3.388 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nc(C)no2)CC1 ZINC001160990463 1382263820 /nfs/dbraw/zinc/26/38/20/1382263820.db2.gz AUADYELFULIXJN-GJZGRUSLSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@H+]([C@@H](C)c2nc(C)no2)CC1 ZINC001160990463 1382263823 /nfs/dbraw/zinc/26/38/23/1382263823.db2.gz AUADYELFULIXJN-GJZGRUSLSA-N 1 2 346.475 3.180 20 30 EGEDLO COC(=O)C[C@@H](Nc1[nH+]ccc2ccc(C#N)cc21)c1ccccn1 ZINC001161060596 1382286409 /nfs/dbraw/zinc/28/64/09/1382286409.db2.gz DXJZAVHMQYEMQO-QGZVFWFLSA-N 1 2 332.363 3.218 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@H+](Cc2cscn2)CC1 ZINC001161121188 1382307443 /nfs/dbraw/zinc/30/74/43/1382307443.db2.gz AZTRLIZTAXSBMS-SFHVURJKSA-N 1 2 333.501 3.384 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@@H+](Cc2cscn2)CC1 ZINC001161121188 1382307449 /nfs/dbraw/zinc/30/74/49/1382307449.db2.gz AZTRLIZTAXSBMS-SFHVURJKSA-N 1 2 333.501 3.384 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@@H+]([C@H](C)c2nc(C)no2)CC1 ZINC001161121430 1382307603 /nfs/dbraw/zinc/30/76/03/1382307603.db2.gz HSMGRMBKOKNGGF-KUHUBIRLSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@H+]([C@H](C)c2nc(C)no2)CC1 ZINC001161121430 1382307611 /nfs/dbraw/zinc/30/76/11/1382307611.db2.gz HSMGRMBKOKNGGF-KUHUBIRLSA-N 1 2 346.475 3.180 20 30 EGEDLO C=CCC1(C(=O)NCCC2=CC[N@H+](Cc3cc(C)on3)CC2)CCC1 ZINC001161126015 1382310066 /nfs/dbraw/zinc/31/00/66/1382310066.db2.gz LYUOWRUYDSWHES-UHFFFAOYSA-N 1 2 343.471 3.368 20 30 EGEDLO C=CCC1(C(=O)NCCC2=CC[N@@H+](Cc3cc(C)on3)CC2)CCC1 ZINC001161126015 1382310071 /nfs/dbraw/zinc/31/00/71/1382310071.db2.gz LYUOWRUYDSWHES-UHFFFAOYSA-N 1 2 343.471 3.368 20 30 EGEDLO C=CCO[C@@H](C)C(=O)NCCC1=CC[N@H+](C/C(Cl)=C\Cl)CC1 ZINC001161972589 1382578808 /nfs/dbraw/zinc/57/88/08/1382578808.db2.gz GOUANPXUVGZDCL-JMRXEAOASA-N 1 2 347.286 3.035 20 30 EGEDLO C=CCO[C@@H](C)C(=O)NCCC1=CC[N@@H+](C/C(Cl)=C\Cl)CC1 ZINC001161972589 1382578812 /nfs/dbraw/zinc/57/88/12/1382578812.db2.gz GOUANPXUVGZDCL-JMRXEAOASA-N 1 2 347.286 3.035 20 30 EGEDLO COc1cc[nH+]c(C(C)(C)CNc2ncnc3ccc(C#N)cc32)c1 ZINC001162128978 1382634256 /nfs/dbraw/zinc/63/42/56/1382634256.db2.gz YWTOJZWLSBYNEB-UHFFFAOYSA-N 1 2 333.395 3.295 20 30 EGEDLO N#C[C@@H]1C[NH2+]CCN1c1ccc2cc(OCc3ccccc3)ccc2n1 ZINC001164652964 1383214382 /nfs/dbraw/zinc/21/43/82/1383214382.db2.gz WMCJCAJWDFFNAS-GOSISDBHSA-N 1 2 344.418 3.116 20 30 EGEDLO C=CCN1C(=O)CC[C@]12CCCN(c1cc(C)[nH+]c(CC)n1)[C@H]2CC ZINC001165596534 1383313490 /nfs/dbraw/zinc/31/34/90/1383313490.db2.gz MYHYLQGBCYAZAO-JXFKEZNVSA-N 1 2 342.487 3.273 20 30 EGEDLO C=CCN1C(=O)CC[C@]12CCCN(c1[nH+]c(C)ccc1OC)[C@H]2CC ZINC001165597434 1383314251 /nfs/dbraw/zinc/31/42/51/1383314251.db2.gz USCZLZVVTOKXAK-PXNSSMCTSA-N 1 2 343.471 3.325 20 30 EGEDLO COC(C)(C)CNc1cc(/C=N/[S@](=O)C(C)(C)C)cc(C)[nH+]1 ZINC001165830394 1383351265 /nfs/dbraw/zinc/35/12/65/1383351265.db2.gz SJMZZEKYSNJSID-HPBYZVIZSA-N 1 2 325.478 3.108 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC1(C[NH2+]CC(F)(F)C(F)F)CC1 ZINC001166541617 1383435491 /nfs/dbraw/zinc/43/54/91/1383435491.db2.gz FJIWZQZASYCLPO-UHFFFAOYSA-N 1 2 338.389 3.365 20 30 EGEDLO C=CCCCC(=O)NCCC1(C[NH2+]Cc2noc(CCCC)n2)CC1 ZINC001166909957 1383498078 /nfs/dbraw/zinc/49/80/78/1383498078.db2.gz GNAUBCQHTKJXSV-UHFFFAOYSA-N 1 2 348.491 3.145 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1(C[NH2+]Cc2noc(CCC)n2)CC1 ZINC001167026201 1383522679 /nfs/dbraw/zinc/52/26/79/1383522679.db2.gz VAZULNDOWKCBQS-GOSISDBHSA-N 1 2 348.491 3.001 20 30 EGEDLO C=CCC1(C(=O)NCCC2(C[NH2+][C@@H](C)c3noc(C)n3)CC2)CCC1 ZINC001167036134 1383525029 /nfs/dbraw/zinc/52/50/29/1383525029.db2.gz WVOFOWUTBFMOBG-AWEZNQCLSA-N 1 2 346.475 3.062 20 30 EGEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)cc1Cl ZINC001303306551 1383792415 /nfs/dbraw/zinc/79/24/15/1383792415.db2.gz LSNPHMBDJJAOGK-KRWDZBQOSA-N 1 2 343.789 3.137 20 30 EGEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(N[C@@H](CO)C(C)(C)C)[nH+]1 ZINC001168554608 1383935904 /nfs/dbraw/zinc/93/59/04/1383935904.db2.gz VEGJASXPTIDMOQ-CEHBHCHGSA-N 1 2 339.505 3.090 20 30 EGEDLO C[NH+](C)Cc1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)nc1 ZINC001169047698 1384100204 /nfs/dbraw/zinc/10/02/04/1384100204.db2.gz WXSKYCHCWQDRQI-UHFFFAOYSA-N 1 2 341.798 3.085 20 30 EGEDLO C=CC[C@H]([NH2+][C@@H]1CCc2ccc(Br)cc2C1)C(=O)OC ZINC001170856357 1384399984 /nfs/dbraw/zinc/39/99/84/1384399984.db2.gz LXFPMVVSONJYSE-CABCVRRESA-N 1 2 338.245 3.014 20 30 EGEDLO N#Cc1ccc(OCCNc2cc[nH+]c(OC3CCOCC3)c2)cc1 ZINC001171484886 1384536913 /nfs/dbraw/zinc/53/69/13/1384536913.db2.gz VMRSAPSTDIWBAJ-UHFFFAOYSA-N 1 2 339.395 3.002 20 30 EGEDLO C=CCOC(=O)CC[C@H]([NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)C(=O)OCC=C ZINC001172364814 1384777816 /nfs/dbraw/zinc/77/78/16/1384777816.db2.gz BGUFBZGDWFCAIL-NXOAAHMSSA-N 1 2 337.460 3.008 20 30 EGEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](C)CCCCC(=O)OC ZINC001173438914 1384970390 /nfs/dbraw/zinc/97/03/90/1384970390.db2.gz CLCVAIFQQVJLQF-WMZOPIPTSA-N 1 2 347.455 3.038 20 30 EGEDLO CC1(C#N)CCC([N@@H+]2CCN3C[C@@H](Oc4ccccc4)C[C@H]3C2)CC1 ZINC001173594701 1384983561 /nfs/dbraw/zinc/98/35/61/1384983561.db2.gz JXVMYUSQZGQKIM-YWDUDDICSA-N 1 2 339.483 3.296 20 30 EGEDLO CC1(C#N)CCC([N@H+]2CCN3C[C@@H](Oc4ccccc4)C[C@H]3C2)CC1 ZINC001173594701 1384983565 /nfs/dbraw/zinc/98/35/65/1384983565.db2.gz JXVMYUSQZGQKIM-YWDUDDICSA-N 1 2 339.483 3.296 20 30 EGEDLO C#Cc1cc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)ccc1F ZINC001174432558 1385108024 /nfs/dbraw/zinc/10/80/24/1385108024.db2.gz VPBPZQRLJZMIHE-UHFFFAOYSA-N 1 2 340.398 3.262 20 30 EGEDLO N#Cc1cc(F)c(Nc2ccc(N3CCOCC3)[nH+]c2)c(Cl)c1 ZINC001174979538 1385178454 /nfs/dbraw/zinc/17/84/54/1385178454.db2.gz OLTWCVUYVZATAQ-UHFFFAOYSA-N 1 2 332.766 3.326 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cc(C)nc2ccccc21 ZINC001317491881 1385192219 /nfs/dbraw/zinc/19/22/19/1385192219.db2.gz BSCCFJOJUXWAKI-UHFFFAOYSA-N 1 2 331.847 3.347 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cc(C)nc2ccccc21 ZINC001317491881 1385192221 /nfs/dbraw/zinc/19/22/21/1385192221.db2.gz BSCCFJOJUXWAKI-UHFFFAOYSA-N 1 2 331.847 3.347 20 30 EGEDLO Cc1nc(N2CCOCC2)sc1C=[NH+]Nc1ccc(Cl)cc1 ZINC001317705218 1385409070 /nfs/dbraw/zinc/40/90/70/1385409070.db2.gz GUJLWMPRUVACJX-UHFFFAOYSA-N 1 2 336.848 3.388 20 30 EGEDLO C=CCCC(=O)N(CCC[NH2+][C@H](C)c1noc(C)n1)CC1CCCC1 ZINC001177246016 1385883024 /nfs/dbraw/zinc/88/30/24/1385883024.db2.gz UHRRPVIQLIBLBX-OAHLLOKOSA-N 1 2 348.491 3.404 20 30 EGEDLO CS(=O)(=O)c1ccccc1N[NH+]=Cc1ccc(N2CCCC2)cc1 ZINC001319751845 1386280222 /nfs/dbraw/zinc/28/02/22/1386280222.db2.gz NPHNEQACVRHIGO-UHFFFAOYSA-N 1 2 343.452 3.136 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccccc1OCC(C)C ZINC001320062583 1386483981 /nfs/dbraw/zinc/48/39/81/1386483981.db2.gz ZJHHSVWHAJGHKN-UHFFFAOYSA-N 1 2 338.879 3.478 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccccc1OCC(C)C ZINC001320062583 1386483984 /nfs/dbraw/zinc/48/39/84/1386483984.db2.gz ZJHHSVWHAJGHKN-UHFFFAOYSA-N 1 2 338.879 3.478 20 30 EGEDLO CCO[C@@H]1C[C@@]([NH2+]CCCCC2(C#N)CCC2)(C(=O)OC)C1(C)C ZINC001333438852 1390304325 /nfs/dbraw/zinc/30/43/25/1390304325.db2.gz FIUXPBAZDCZLQN-DNVCBOLYSA-N 1 2 336.476 3.187 20 30 EGEDLO Cc1ccc(C)c2c1OC/C(=C\c1ncc(C[NH+](C)C)s1)C2=O ZINC001340933580 1390407935 /nfs/dbraw/zinc/40/79/35/1390407935.db2.gz PJTHYDHCQSJGAS-NTUHNPAUSA-N 1 2 328.437 3.480 20 30 EGEDLO COc1cc(C[NH+]2CCN(c3ccsc3C#N)CC2)ccc1F ZINC001333987671 1390455402 /nfs/dbraw/zinc/45/54/02/1390455402.db2.gz KBXYQGHUULEFDP-UHFFFAOYSA-N 1 2 331.416 3.090 20 30 EGEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(CC)C[C@H](C)CC ZINC001342022034 1390562590 /nfs/dbraw/zinc/56/25/90/1390562590.db2.gz XDUJEIXGBFUHLL-SJORKVTESA-N 1 2 349.523 3.118 20 30 EGEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(CC)C[C@H](C)CC ZINC001342022034 1390562592 /nfs/dbraw/zinc/56/25/92/1390562592.db2.gz XDUJEIXGBFUHLL-SJORKVTESA-N 1 2 349.523 3.118 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1ccccn1 ZINC001342329421 1390601577 /nfs/dbraw/zinc/60/15/77/1390601577.db2.gz ODNQKZQSIZSPDO-QGZVFWFLSA-N 1 2 340.475 3.042 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)Cc1ccccn1 ZINC001342329421 1390601579 /nfs/dbraw/zinc/60/15/79/1390601579.db2.gz ODNQKZQSIZSPDO-QGZVFWFLSA-N 1 2 340.475 3.042 20 30 EGEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H](CC(C)C)C1 ZINC001342414653 1390610263 /nfs/dbraw/zinc/61/02/63/1390610263.db2.gz FBWMUCDVPJECID-INIZCTEOSA-N 1 2 342.491 3.051 20 30 EGEDLO C=C(C)CN(CC)c1nnc([C@H]2CCCC[N@@H+]2C)n1CCCOCC ZINC001342459853 1390614525 /nfs/dbraw/zinc/61/45/25/1390614525.db2.gz OLIDQFDUGNQYTJ-QGZVFWFLSA-N 1 2 349.523 3.264 20 30 EGEDLO C=C(C)CN(CC)c1nnc([C@H]2CCCC[N@H+]2C)n1CCCOCC ZINC001342459853 1390614527 /nfs/dbraw/zinc/61/45/27/1390614527.db2.gz OLIDQFDUGNQYTJ-QGZVFWFLSA-N 1 2 349.523 3.264 20 30 EGEDLO N#CCC[C@@H](C#N)C[NH2+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC001335366236 1390676450 /nfs/dbraw/zinc/67/64/50/1390676450.db2.gz LUVBCBGGMKPMSG-AZUAARDMSA-N 1 2 346.434 3.270 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)CCOC(C)(C)C ZINC001342979173 1390680175 /nfs/dbraw/zinc/68/01/75/1390680175.db2.gz PAGDZLBBOPHWBQ-MRXNPFEDSA-N 1 2 349.523 3.262 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)CCOC(C)(C)C ZINC001342979173 1390680177 /nfs/dbraw/zinc/68/01/77/1390680177.db2.gz PAGDZLBBOPHWBQ-MRXNPFEDSA-N 1 2 349.523 3.262 20 30 EGEDLO C=CCN(c1nnc([C@H]2CCCC[N@@H+]2C)n1CCCOCC)C1CC1 ZINC001343121009 1390693306 /nfs/dbraw/zinc/69/33/06/1390693306.db2.gz PHMBNNHSXRVYDS-QGZVFWFLSA-N 1 2 347.507 3.016 20 30 EGEDLO C=CCN(c1nnc([C@H]2CCCC[N@H+]2C)n1CCCOCC)C1CC1 ZINC001343121009 1390693309 /nfs/dbraw/zinc/69/33/09/1390693309.db2.gz PHMBNNHSXRVYDS-QGZVFWFLSA-N 1 2 347.507 3.016 20 30 EGEDLO C#CCC1(C(=O)N2CC[NH2+][C@H](c3cccc(OC)c3)C2)CCCCC1 ZINC001347255585 1391041413 /nfs/dbraw/zinc/04/14/13/1391041413.db2.gz FLSFWMXPXNKXHN-IBGZPJMESA-N 1 2 340.467 3.142 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@H](CC)O[C@@H](CC)C1 ZINC001351615507 1391657966 /nfs/dbraw/zinc/65/79/66/1391657966.db2.gz JQJGRROUIHIVMG-ULQDDVLXSA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@H](CC)O[C@@H](CC)C1 ZINC001351615507 1391657969 /nfs/dbraw/zinc/65/79/69/1391657969.db2.gz JQJGRROUIHIVMG-ULQDDVLXSA-N 1 2 347.507 3.015 20 30 EGEDLO Cc1cc(C)c(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)s1 ZINC001480869611 1392990765 /nfs/dbraw/zinc/99/07/65/1392990765.db2.gz NARORPJTYQSIMS-UHFFFAOYSA-N 1 2 327.453 3.098 20 30 EGEDLO Cc1cc(C)c(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)s1 ZINC001480869611 1392990767 /nfs/dbraw/zinc/99/07/67/1392990767.db2.gz NARORPJTYQSIMS-UHFFFAOYSA-N 1 2 327.453 3.098 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1c(C)cc2ccccc21 ZINC001481047501 1393105810 /nfs/dbraw/zinc/10/58/10/1393105810.db2.gz DZWMZIGHFBXPHA-QGZVFWFLSA-N 1 2 345.874 3.283 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1c(C)cc2ccccc21 ZINC001481047501 1393105812 /nfs/dbraw/zinc/10/58/12/1393105812.db2.gz DZWMZIGHFBXPHA-QGZVFWFLSA-N 1 2 345.874 3.283 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)CC1CCCCC1 ZINC001482578234 1395094476 /nfs/dbraw/zinc/09/44/76/1395094476.db2.gz OBHQBDFQTQYFCQ-UHFFFAOYSA-N 1 2 327.472 3.419 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)CC1CCCCC1 ZINC001482578234 1395094477 /nfs/dbraw/zinc/09/44/77/1395094477.db2.gz OBHQBDFQTQYFCQ-UHFFFAOYSA-N 1 2 327.472 3.419 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1c(F)ccc2ccncc21 ZINC001698988080 1406774016 /nfs/dbraw/zinc/77/40/16/1406774016.db2.gz OOBJUOXANPJOLF-UHFFFAOYSA-N 1 2 335.810 3.130 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1c(F)ccc2ccncc21 ZINC001698988080 1406774021 /nfs/dbraw/zinc/77/40/21/1406774021.db2.gz OOBJUOXANPJOLF-UHFFFAOYSA-N 1 2 335.810 3.130 20 30 EGEDLO C[C@H](NC(=O)CCCC1CC1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001485515528 1395992731 /nfs/dbraw/zinc/99/27/31/1395992731.db2.gz BEUXKCGMJJUAIP-AWEZNQCLSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)CC(C)(C)C)CC1 ZINC001690016872 1404258735 /nfs/dbraw/zinc/25/87/35/1404258735.db2.gz LONAGRZUNWBDGW-UHFFFAOYSA-N 1 2 331.298 3.254 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)CCC2CCC2)C1 ZINC001690036741 1404273976 /nfs/dbraw/zinc/27/39/76/1404273976.db2.gz ZFDCBNXSIACUNB-IBGZPJMESA-N 1 2 325.456 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)CCC2CCC2)C1 ZINC001690036741 1404273978 /nfs/dbraw/zinc/27/39/78/1404273978.db2.gz ZFDCBNXSIACUNB-IBGZPJMESA-N 1 2 325.456 3.219 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001691059090 1404982038 /nfs/dbraw/zinc/98/20/38/1404982038.db2.gz OVGZVWUXSUUAKB-ZDUSSCGKSA-N 1 2 326.843 3.195 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001691059090 1404982040 /nfs/dbraw/zinc/98/20/40/1404982040.db2.gz OVGZVWUXSUUAKB-ZDUSSCGKSA-N 1 2 326.843 3.195 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2nc(C)c(C(C)(C)C)s2)C1 ZINC001698550543 1406148124 /nfs/dbraw/zinc/14/81/24/1406148124.db2.gz KFAZNKJEUKIFHG-OAHLLOKOSA-N 1 2 347.528 3.243 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[N@H+](Cc2nc(C)c(C(C)(C)C)s2)C1 ZINC001698550543 1406148130 /nfs/dbraw/zinc/14/81/30/1406148130.db2.gz KFAZNKJEUKIFHG-OAHLLOKOSA-N 1 2 347.528 3.243 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@H]1C[NH2+]Cc1nc(C(C)(C)C)no1 ZINC001700345454 1413831702 /nfs/dbraw/zinc/83/17/02/1413831702.db2.gz LPZULAAXYWPLGL-HNNXBMFYSA-N 1 2 348.491 3.194 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2ccc3c(c2)CCCC3)C1 ZINC001700549283 1414218853 /nfs/dbraw/zinc/21/88/53/1414218853.db2.gz FATVJMVBWLMDOL-OAHLLOKOSA-N 1 2 346.902 3.297 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)C1(C(F)F)CCCC1 ZINC001732590537 1428811697 /nfs/dbraw/zinc/81/16/97/1428811697.db2.gz XFVZIJHBMWQWGL-UHFFFAOYSA-N 1 2 349.425 3.274 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)C1(C(F)F)CCCC1 ZINC001732590537 1428811702 /nfs/dbraw/zinc/81/17/02/1428811702.db2.gz XFVZIJHBMWQWGL-UHFFFAOYSA-N 1 2 349.425 3.274 20 30 EGEDLO C[C@@H](C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F)C1CCCC1 ZINC001713473161 1418146474 /nfs/dbraw/zinc/14/64/74/1418146474.db2.gz JFYJWUHHKQXVMJ-CQSZACIVSA-N 1 2 331.435 3.072 20 30 EGEDLO C[C@@H](C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F)C1CCCC1 ZINC001713473161 1418146480 /nfs/dbraw/zinc/14/64/80/1418146480.db2.gz JFYJWUHHKQXVMJ-CQSZACIVSA-N 1 2 331.435 3.072 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cc1c[nH]c2cccc(C)c12 ZINC001713496135 1418205171 /nfs/dbraw/zinc/20/51/71/1418205171.db2.gz KLMZSLRQRDIUBK-UHFFFAOYSA-N 1 2 333.863 3.209 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cc1c[nH]c2cccc(C)c12 ZINC001713496135 1418205174 /nfs/dbraw/zinc/20/51/74/1418205174.db2.gz KLMZSLRQRDIUBK-UHFFFAOYSA-N 1 2 333.863 3.209 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)CN(C)c2ccccc2)C1 ZINC001713721903 1418495954 /nfs/dbraw/zinc/49/59/54/1418495954.db2.gz AWBRYLOEDSUJAK-SFHVURJKSA-N 1 2 349.906 3.188 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)CN(C)c2ccccc2)C1 ZINC001713721903 1418495957 /nfs/dbraw/zinc/49/59/57/1418495957.db2.gz AWBRYLOEDSUJAK-SFHVURJKSA-N 1 2 349.906 3.188 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cc(-c2cccs2)on1 ZINC001714585442 1419327293 /nfs/dbraw/zinc/32/72/93/1419327293.db2.gz ARYQENQIIIOWEL-UHFFFAOYSA-N 1 2 339.848 3.207 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cc(-c2cccs2)on1 ZINC001714585442 1419327295 /nfs/dbraw/zinc/32/72/95/1419327295.db2.gz ARYQENQIIIOWEL-UHFFFAOYSA-N 1 2 339.848 3.207 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3cncc(F)c3)C2)CCCC1 ZINC001715006421 1419736206 /nfs/dbraw/zinc/73/62/06/1419736206.db2.gz MVYUTZRBIVPGMQ-QGZVFWFLSA-N 1 2 331.435 3.048 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+](Cc3cncc(F)c3)C2)CCCC1 ZINC001715006421 1419736209 /nfs/dbraw/zinc/73/62/09/1419736209.db2.gz MVYUTZRBIVPGMQ-QGZVFWFLSA-N 1 2 331.435 3.048 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)COc2ccc(Cl)cc2)C1 ZINC001715030784 1419762948 /nfs/dbraw/zinc/76/29/48/1419762948.db2.gz IPTOZZMTGYZUKS-CQSZACIVSA-N 1 2 343.254 3.004 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccc(Cl)cc2)C1 ZINC001715030784 1419762952 /nfs/dbraw/zinc/76/29/52/1419762952.db2.gz IPTOZZMTGYZUKS-CQSZACIVSA-N 1 2 343.254 3.004 20 30 EGEDLO C[C@@H](C#N)C(=O)N(C)CC[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC001715779666 1420340963 /nfs/dbraw/zinc/34/09/63/1420340963.db2.gz LOWQGJRIQIKNMB-NSHDSACASA-N 1 2 328.243 3.043 20 30 EGEDLO C[C@@H](C#N)C(=O)N(C)CC[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC001715779666 1420340967 /nfs/dbraw/zinc/34/09/67/1420340967.db2.gz LOWQGJRIQIKNMB-NSHDSACASA-N 1 2 328.243 3.043 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1ccc(C)c(Cl)c1 ZINC001716483452 1420701265 /nfs/dbraw/zinc/70/12/65/1420701265.db2.gz GJXDDYZLZYEKJJ-ZDUSSCGKSA-N 1 2 329.271 3.380 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1ccc(C)c(Cl)c1 ZINC001716483452 1420701268 /nfs/dbraw/zinc/70/12/68/1420701268.db2.gz GJXDDYZLZYEKJJ-ZDUSSCGKSA-N 1 2 329.271 3.380 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc(-c2cnco2)cc1 ZINC001716485204 1420704261 /nfs/dbraw/zinc/70/42/61/1420704261.db2.gz QAJXGAIJSQODBW-ZDUSSCGKSA-N 1 2 333.819 3.144 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(-c2cnco2)cc1 ZINC001716485204 1420704265 /nfs/dbraw/zinc/70/42/65/1420704265.db2.gz QAJXGAIJSQODBW-ZDUSSCGKSA-N 1 2 333.819 3.144 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cccc2c1OCC2(C)C ZINC001722927845 1424260806 /nfs/dbraw/zinc/26/08/06/1424260806.db2.gz TVTQGZNLHIWQEH-CYBMUJFWSA-N 1 2 336.863 3.159 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cccc2c1OCC2(C)C ZINC001722927845 1424260808 /nfs/dbraw/zinc/26/08/08/1424260808.db2.gz TVTQGZNLHIWQEH-CYBMUJFWSA-N 1 2 336.863 3.159 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)COc2ccc(C)cc2)[C@H]1C ZINC001734457425 1438114858 /nfs/dbraw/zinc/11/48/58/1438114858.db2.gz JWQHXAYVYSYGDK-NVXWUHKLSA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)COc2ccc(C)cc2)[C@H]1C ZINC001734457425 1438114860 /nfs/dbraw/zinc/11/48/60/1438114860.db2.gz JWQHXAYVYSYGDK-NVXWUHKLSA-N 1 2 336.863 3.095 20 30 EGEDLO C=CC1(CC(=O)NCCC[N@@H+](C)Cc2coc(C)n2)CCCCC1 ZINC001752076136 1440138487 /nfs/dbraw/zinc/13/84/87/1440138487.db2.gz LYIGGQMHAIYQBP-UHFFFAOYSA-N 1 2 333.476 3.448 20 30 EGEDLO C=CC1(CC(=O)NCCC[N@H+](C)Cc2coc(C)n2)CCCCC1 ZINC001752076136 1440138488 /nfs/dbraw/zinc/13/84/88/1440138488.db2.gz LYIGGQMHAIYQBP-UHFFFAOYSA-N 1 2 333.476 3.448 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)/C=C(\C)CC)CC1 ZINC001752299898 1440167562 /nfs/dbraw/zinc/16/75/62/1440167562.db2.gz OWBKLEKNWBZBFU-ZRDIBKRKSA-N 1 2 329.282 3.174 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC001752381770 1440172715 /nfs/dbraw/zinc/17/27/15/1440172715.db2.gz LEANYNIPULQBOL-OLZOCXBDSA-N 1 2 342.892 3.073 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC001752381770 1440172717 /nfs/dbraw/zinc/17/27/17/1440172717.db2.gz LEANYNIPULQBOL-OLZOCXBDSA-N 1 2 342.892 3.073 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC12CC[NH+]([C@H](C)c1noc(C)n1)CC2 ZINC001752435864 1440180162 /nfs/dbraw/zinc/18/01/62/1440180162.db2.gz UJUHFNXQTNRXJM-UKRRQHHQSA-N 1 2 346.475 3.012 20 30 EGEDLO C=CC(C)(C)CC(=O)N(CCC)C1CC[NH+](Cc2nonc2C)CC1 ZINC001752439227 1440180730 /nfs/dbraw/zinc/18/07/30/1440180730.db2.gz CCHLVVRPIFJVTI-UHFFFAOYSA-N 1 2 348.491 3.183 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H](C)[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC001752906300 1440244330 /nfs/dbraw/zinc/24/43/30/1440244330.db2.gz JWOFVWQNPVEJHC-CHWSQXEVSA-N 1 2 336.480 3.125 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@H]([N@@H+](C)Cc2csc(CC)n2)C1 ZINC001752992500 1440260023 /nfs/dbraw/zinc/26/00/23/1440260023.db2.gz NQZATWHEIXOMTJ-INIZCTEOSA-N 1 2 335.517 3.485 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@H]([N@H+](C)Cc2csc(CC)n2)C1 ZINC001752992500 1440260024 /nfs/dbraw/zinc/26/00/24/1440260024.db2.gz NQZATWHEIXOMTJ-INIZCTEOSA-N 1 2 335.517 3.485 20 30 EGEDLO CC[N@H+](CCNC(=O)C12CCC(CC1)C2)Cc1cc(F)ccc1C#N ZINC001753085414 1440296055 /nfs/dbraw/zinc/29/60/55/1440296055.db2.gz WCSRUIJJKUFIOU-UHFFFAOYSA-N 1 2 343.446 3.216 20 30 EGEDLO CC[N@@H+](CCNC(=O)C12CCC(CC1)C2)Cc1cc(F)ccc1C#N ZINC001753085414 1440296056 /nfs/dbraw/zinc/29/60/56/1440296056.db2.gz WCSRUIJJKUFIOU-UHFFFAOYSA-N 1 2 343.446 3.216 20 30 EGEDLO C#CCCOc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=C)Cl)cc1 ZINC001753102377 1440304781 /nfs/dbraw/zinc/30/47/81/1440304781.db2.gz IPDWJSZIBBILOZ-KRWDZBQOSA-N 1 2 346.858 3.035 20 30 EGEDLO C#CCCOc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=C)Cl)cc1 ZINC001753102377 1440304782 /nfs/dbraw/zinc/30/47/82/1440304782.db2.gz IPDWJSZIBBILOZ-KRWDZBQOSA-N 1 2 346.858 3.035 20 30 EGEDLO CC(C)C#CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC001753103619 1440305203 /nfs/dbraw/zinc/30/52/03/1440305203.db2.gz BIBNBHWDFFLDJM-HNNXBMFYSA-N 1 2 336.838 3.219 20 30 EGEDLO CC(C)C#CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC001753103619 1440305204 /nfs/dbraw/zinc/30/52/04/1440305204.db2.gz BIBNBHWDFFLDJM-HNNXBMFYSA-N 1 2 336.838 3.219 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)nc1 ZINC001753110154 1440308003 /nfs/dbraw/zinc/30/80/03/1440308003.db2.gz XNVVXDVITPYNOW-KRWDZBQOSA-N 1 2 347.890 3.399 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001753110154 1440308004 /nfs/dbraw/zinc/30/80/04/1440308004.db2.gz XNVVXDVITPYNOW-KRWDZBQOSA-N 1 2 347.890 3.399 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H]2CCC[N@H+]2Cc2cc(C)on2)CCCCC1 ZINC001753120709 1440313592 /nfs/dbraw/zinc/31/35/92/1440313592.db2.gz YNUXXIZKCLWQLM-SFHVURJKSA-N 1 2 343.471 3.037 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cc(C)on2)CCCCC1 ZINC001753120709 1440313593 /nfs/dbraw/zinc/31/35/93/1440313593.db2.gz YNUXXIZKCLWQLM-SFHVURJKSA-N 1 2 343.471 3.037 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCC[N@H+](Cc1nc(C)c(C)s1)C1CC1 ZINC001753159808 1440333110 /nfs/dbraw/zinc/33/31/10/1440333110.db2.gz XNXUWNXKUNFFEL-SFHVURJKSA-N 1 2 335.517 3.443 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCC[N@@H+](Cc1nc(C)c(C)s1)C1CC1 ZINC001753159808 1440333111 /nfs/dbraw/zinc/33/31/11/1440333111.db2.gz XNXUWNXKUNFFEL-SFHVURJKSA-N 1 2 335.517 3.443 20 30 EGEDLO C=CCCC(=O)N(CCC)[C@H]1CC[N@H+](Cc2noc3c2CCCC3)C1 ZINC001753315212 1440359189 /nfs/dbraw/zinc/35/91/89/1440359189.db2.gz VORJFKAXEMSKRC-INIZCTEOSA-N 1 2 345.487 3.333 20 30 EGEDLO C=CCCC(=O)N(CCC)[C@H]1CC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001753315212 1440359190 /nfs/dbraw/zinc/35/91/90/1440359190.db2.gz VORJFKAXEMSKRC-INIZCTEOSA-N 1 2 345.487 3.333 20 30 EGEDLO CCCN(C(=O)C#CC1CC1)[C@@H]1CC[N@H+](Cc2c(F)cccc2F)C1 ZINC001753316089 1440359657 /nfs/dbraw/zinc/35/96/57/1440359657.db2.gz LDHZYSIVKBOMDS-MRXNPFEDSA-N 1 2 346.421 3.191 20 30 EGEDLO CCCN(C(=O)C#CC1CC1)[C@@H]1CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC001753316089 1440359658 /nfs/dbraw/zinc/35/96/58/1440359658.db2.gz LDHZYSIVKBOMDS-MRXNPFEDSA-N 1 2 346.421 3.191 20 30 EGEDLO C=CCC(CC=C)C(=O)NC1C[NH+]([C@H](C)c2cccc(OC)c2)C1 ZINC001753376912 1440387451 /nfs/dbraw/zinc/38/74/51/1440387451.db2.gz GWLKTIGFRDJDSR-OAHLLOKOSA-N 1 2 328.456 3.325 20 30 EGEDLO CCCCC1(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)CC1 ZINC001753408889 1440392631 /nfs/dbraw/zinc/39/26/31/1440392631.db2.gz CXPPSHPTTMJSHX-UHFFFAOYSA-N 1 2 343.446 3.216 20 30 EGEDLO CCCC(C)(C)C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001753410953 1440392994 /nfs/dbraw/zinc/39/29/94/1440392994.db2.gz WHSJCPSTLWNQAT-UHFFFAOYSA-N 1 2 331.435 3.072 20 30 EGEDLO C[C@H](C#N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC001753433270 1440399300 /nfs/dbraw/zinc/39/93/00/1440399300.db2.gz FPXJUSLADMPNJV-BXUZGUMPSA-N 1 2 340.254 3.186 20 30 EGEDLO C[C@H](C#N)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC001753433270 1440399301 /nfs/dbraw/zinc/39/93/01/1440399301.db2.gz FPXJUSLADMPNJV-BXUZGUMPSA-N 1 2 340.254 3.186 20 30 EGEDLO CCN(C(=O)C#CC1CC1)[C@H]1CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC001753455760 1440408301 /nfs/dbraw/zinc/40/83/01/1440408301.db2.gz NKBNQJBGFFTUKQ-KRWDZBQOSA-N 1 2 348.849 3.315 20 30 EGEDLO CCN(C(=O)C#CC1CC1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC001753455760 1440408302 /nfs/dbraw/zinc/40/83/02/1440408302.db2.gz NKBNQJBGFFTUKQ-KRWDZBQOSA-N 1 2 348.849 3.315 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCc1ccc(C[NH2+]Cc2cc(C)on2)cc1 ZINC001753590558 1440442693 /nfs/dbraw/zinc/44/26/93/1440442693.db2.gz KASLXHOLZJXGBB-HXUWFJFHSA-N 1 2 341.455 3.491 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccc(F)c(C#N)c1)C(=O)CC1CCCC1 ZINC001753848191 1440505646 /nfs/dbraw/zinc/50/56/46/1440505646.db2.gz VVJPYVAMZKQMLQ-UHFFFAOYSA-N 1 2 331.435 3.168 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccc(F)c(C#N)c1)C(=O)CC1CCCC1 ZINC001753848191 1440505647 /nfs/dbraw/zinc/50/56/47/1440505647.db2.gz VVJPYVAMZKQMLQ-UHFFFAOYSA-N 1 2 331.435 3.168 20 30 EGEDLO C=C1CC(C)(C(=O)NC/C=C\C[NH2+]Cc2cc(C(C)(C)C)on2)C1 ZINC001754168512 1440546816 /nfs/dbraw/zinc/54/68/16/1440546816.db2.gz MSFIQDWUXXCWJB-SREVYHEPSA-N 1 2 331.460 3.090 20 30 EGEDLO C=C[C@H](C(=O)NC/C=C\C[NH2+][C@@H](C)c1ncc(C)o1)c1ccccc1 ZINC001754208718 1440550918 /nfs/dbraw/zinc/55/09/18/1440550918.db2.gz AMRQQRWUJYKSNX-ADSORFIPSA-N 1 2 339.439 3.276 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001754332598 1440584842 /nfs/dbraw/zinc/58/48/42/1440584842.db2.gz FFLKLFFALHHVRX-KWCYVHTRSA-N 1 2 342.817 3.257 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001754332598 1440584843 /nfs/dbraw/zinc/58/48/43/1440584843.db2.gz FFLKLFFALHHVRX-KWCYVHTRSA-N 1 2 342.817 3.257 20 30 EGEDLO C=CCCO[C@H](C)C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(Cl)c1 ZINC001754475450 1440606420 /nfs/dbraw/zinc/60/64/20/1440606420.db2.gz OMXCUNYDCCBLAB-RHSMWYFYSA-N 1 2 336.863 3.012 20 30 EGEDLO C=CCCO[C@H](C)C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(Cl)c1 ZINC001754475450 1440606421 /nfs/dbraw/zinc/60/64/21/1440606421.db2.gz OMXCUNYDCCBLAB-RHSMWYFYSA-N 1 2 336.863 3.012 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H]2CC[N@@H+]2[C@H]2CCc3c2cc(F)cc3F)C1 ZINC001754494119 1440611317 /nfs/dbraw/zinc/61/13/17/1440611317.db2.gz LNELQCUGTWIZJS-KSSFIOAISA-N 1 2 346.421 3.499 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H]2CC[N@H+]2[C@H]2CCc3c2cc(F)cc3F)C1 ZINC001754494119 1440611318 /nfs/dbraw/zinc/61/13/18/1440611318.db2.gz LNELQCUGTWIZJS-KSSFIOAISA-N 1 2 346.421 3.499 20 30 EGEDLO CC(C)=C[C@@H]1[C@H](C(=O)N2CCC([N@H+](CC#N)CC3CC3)CC2)C1(C)C ZINC001754548148 1440628668 /nfs/dbraw/zinc/62/86/68/1440628668.db2.gz GHWNUZYOTVZWGI-RTBURBONSA-N 1 2 343.515 3.451 20 30 EGEDLO CC(C)=C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](CC#N)CC3CC3)CC2)C1(C)C ZINC001754548148 1440628669 /nfs/dbraw/zinc/62/86/69/1440628669.db2.gz GHWNUZYOTVZWGI-RTBURBONSA-N 1 2 343.515 3.451 20 30 EGEDLO C#CCCCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cnoc1C ZINC001754553003 1440630492 /nfs/dbraw/zinc/63/04/92/1440630492.db2.gz QBGPGARBSFOFOC-KDURUIRLSA-N 1 2 343.471 3.132 20 30 EGEDLO C#CCCCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cnoc1C ZINC001754553003 1440630493 /nfs/dbraw/zinc/63/04/93/1440630493.db2.gz QBGPGARBSFOFOC-KDURUIRLSA-N 1 2 343.471 3.132 20 30 EGEDLO C[C@@H](C(=O)NC1(C)CC[NH+](Cc2cc(F)ccc2C#N)CC1)C1CC1 ZINC001754625262 1440646297 /nfs/dbraw/zinc/64/62/97/1440646297.db2.gz QATDQVRLVNZHNL-CQSZACIVSA-N 1 2 343.446 3.214 20 30 EGEDLO CC/C(C)=C/C(=O)N[C@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001754670963 1440657773 /nfs/dbraw/zinc/65/77/73/1440657773.db2.gz UBLYDDVLOWEYOP-CECLQJIQSA-N 1 2 329.419 3.134 20 30 EGEDLO CC/C(C)=C/C(=O)N[C@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001754670963 1440657774 /nfs/dbraw/zinc/65/77/74/1440657774.db2.gz UBLYDDVLOWEYOP-CECLQJIQSA-N 1 2 329.419 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)COc2cc(C)ccc2C)C1 ZINC001754682762 1440663535 /nfs/dbraw/zinc/66/35/35/1440663535.db2.gz OGWSLEJQIHXCPZ-GOSISDBHSA-N 1 2 336.863 3.015 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)COc2cc(C)ccc2C)C1 ZINC001754682762 1440663536 /nfs/dbraw/zinc/66/35/36/1440663536.db2.gz OGWSLEJQIHXCPZ-GOSISDBHSA-N 1 2 336.863 3.015 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCC1(C)CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001754720396 1440672941 /nfs/dbraw/zinc/67/29/41/1440672941.db2.gz OAEWAAKXGPADGE-XLIONFOSSA-N 1 2 336.520 3.234 20 30 EGEDLO C=C(C)CCC(=O)NC[C@]1(C)CCC[N@@H+]([C@H](C)c2nnc(CC)[nH]2)C1 ZINC001754727215 1440676870 /nfs/dbraw/zinc/67/68/70/1440676870.db2.gz KZSLPSHVIGXPIN-BEFAXECRSA-N 1 2 347.507 3.003 20 30 EGEDLO C=C(C)CCC(=O)NC[C@]1(C)CCC[N@H+]([C@H](C)c2nnc(CC)[nH]2)C1 ZINC001754727215 1440676871 /nfs/dbraw/zinc/67/68/71/1440676871.db2.gz KZSLPSHVIGXPIN-BEFAXECRSA-N 1 2 347.507 3.003 20 30 EGEDLO C=CCC1(C(=O)NC[C@@]2(C)CCC[N@H+](Cc3cnns3)C2)CCC1 ZINC001754730688 1440678910 /nfs/dbraw/zinc/67/89/10/1440678910.db2.gz LASMISUMVZBFHO-QGZVFWFLSA-N 1 2 348.516 3.003 20 30 EGEDLO C=CCC1(C(=O)NC[C@@]2(C)CCC[N@@H+](Cc3cnns3)C2)CCC1 ZINC001754730688 1440678911 /nfs/dbraw/zinc/67/89/11/1440678911.db2.gz LASMISUMVZBFHO-QGZVFWFLSA-N 1 2 348.516 3.003 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCC[N@@H+](Cc2nc(CCC(C)C)no2)CC1 ZINC001755020214 1440726804 /nfs/dbraw/zinc/72/68/04/1440726804.db2.gz AEHCHYPAZINSSX-INIZCTEOSA-N 1 2 348.491 3.095 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCC[N@H+](Cc2nc(CCC(C)C)no2)CC1 ZINC001755020214 1440726805 /nfs/dbraw/zinc/72/68/05/1440726805.db2.gz AEHCHYPAZINSSX-INIZCTEOSA-N 1 2 348.491 3.095 20 30 EGEDLO C#CCCCC(=O)N(C)CCC[N@@H+](C)[C@H](C)c1nc(C(C)(C)C)no1 ZINC001755035795 1440734315 /nfs/dbraw/zinc/73/43/15/1440734315.db2.gz DOCYENVJTPSLDJ-OAHLLOKOSA-N 1 2 348.491 3.012 20 30 EGEDLO C#CCCCC(=O)N(C)CCC[N@H+](C)[C@H](C)c1nc(C(C)(C)C)no1 ZINC001755035795 1440734316 /nfs/dbraw/zinc/73/43/16/1440734316.db2.gz DOCYENVJTPSLDJ-OAHLLOKOSA-N 1 2 348.491 3.012 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1Cc2ccccc2C[N@@H+]1C/C=C/Cl ZINC001755075424 1440748310 /nfs/dbraw/zinc/74/83/10/1440748310.db2.gz GKUHOOZOEUDZJN-JEJOPICUSA-N 1 2 332.875 3.494 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1Cc2ccccc2C[N@H+]1C/C=C/Cl ZINC001755075424 1440748311 /nfs/dbraw/zinc/74/83/11/1440748311.db2.gz GKUHOOZOEUDZJN-JEJOPICUSA-N 1 2 332.875 3.494 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1Cc2ccccc2C[N@@H+]1C/C=C\Cl ZINC001755075425 1440748447 /nfs/dbraw/zinc/74/84/47/1440748447.db2.gz GKUHOOZOEUDZJN-JEZWAEDTSA-N 1 2 332.875 3.494 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1Cc2ccccc2C[N@H+]1C/C=C\Cl ZINC001755075425 1440748448 /nfs/dbraw/zinc/74/84/48/1440748448.db2.gz GKUHOOZOEUDZJN-JEZWAEDTSA-N 1 2 332.875 3.494 20 30 EGEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C(F)=C1CCCC1 ZINC001755075717 1440748609 /nfs/dbraw/zinc/74/86/09/1440748609.db2.gz MCMMLUYAVAEOQB-IBGZPJMESA-N 1 2 340.442 3.350 20 30 EGEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C(F)=C1CCCC1 ZINC001755075717 1440748610 /nfs/dbraw/zinc/74/86/10/1440748610.db2.gz MCMMLUYAVAEOQB-IBGZPJMESA-N 1 2 340.442 3.350 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2nc(C3CCC3)no2)CC1(C)C ZINC001755140281 1440760058 /nfs/dbraw/zinc/76/00/58/1440760058.db2.gz VWJXKADDIOIPKE-HNNXBMFYSA-N 1 2 346.475 3.020 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2nc(C3CCC3)no2)CC1(C)C ZINC001755140281 1440760059 /nfs/dbraw/zinc/76/00/59/1440760059.db2.gz VWJXKADDIOIPKE-HNNXBMFYSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nc(C2CCCC2)no1 ZINC001755238391 1440788815 /nfs/dbraw/zinc/78/88/15/1440788815.db2.gz VRMUOCNBIZEVGG-ZIAGYGMSSA-N 1 2 334.464 3.066 20 30 EGEDLO C#CCCCC(=O)NC[C@@H](C)[N@H+](C)Cc1coc(-c2cccs2)n1 ZINC001755297217 1440806872 /nfs/dbraw/zinc/80/68/72/1440806872.db2.gz VTQKJIKDVUYXPJ-CQSZACIVSA-N 1 2 345.468 3.143 20 30 EGEDLO C#CCCCC(=O)NC[C@@H](C)[N@@H+](C)Cc1coc(-c2cccs2)n1 ZINC001755297217 1440806873 /nfs/dbraw/zinc/80/68/73/1440806873.db2.gz VTQKJIKDVUYXPJ-CQSZACIVSA-N 1 2 345.468 3.143 20 30 EGEDLO C#CCCCC(=O)NC[C@@H]1CCCCC[N@H+]1C/C(Cl)=C\Cl ZINC001755364335 1440833691 /nfs/dbraw/zinc/83/36/91/1440833691.db2.gz SVNSZGFLJMTABT-GOFCXVBSSA-N 1 2 331.287 3.470 20 30 EGEDLO C#CCCCC(=O)NC[C@@H]1CCCCC[N@@H+]1C/C(Cl)=C\Cl ZINC001755364335 1440833692 /nfs/dbraw/zinc/83/36/92/1440833692.db2.gz SVNSZGFLJMTABT-GOFCXVBSSA-N 1 2 331.287 3.470 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H](C)C1C[NH+](Cc2cc(O)ccc2Cl)C1 ZINC001755376761 1440838255 /nfs/dbraw/zinc/83/82/55/1440838255.db2.gz JJKLXADSHJCKPP-ZDUSSCGKSA-N 1 2 336.863 3.338 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC[C@H]2CC(C)(C)CO2)C(C)(C)C1 ZINC001755417116 1440849522 /nfs/dbraw/zinc/84/95/22/1440849522.db2.gz YZQROWWGYNIUDZ-GJZGRUSLSA-N 1 2 342.911 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC[C@H]2CC(C)(C)CO2)C(C)(C)C1 ZINC001755417116 1440849523 /nfs/dbraw/zinc/84/95/23/1440849523.db2.gz YZQROWWGYNIUDZ-GJZGRUSLSA-N 1 2 342.911 3.161 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@H](C)[NH2+][C@H](C)c2nc(C(C)C)no2)CC1 ZINC001755606088 1440885603 /nfs/dbraw/zinc/88/56/03/1440885603.db2.gz NAPJVQSVOFWJFX-LSDHHAIUSA-N 1 2 348.491 3.437 20 30 EGEDLO C[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)CCC[N@@H+]1Cc1c(F)cccc1F ZINC001755716921 1440905369 /nfs/dbraw/zinc/90/53/69/1440905369.db2.gz COUXWCYWXJJVJX-KSSFIOAISA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)CCC[N@H+]1Cc1c(F)cccc1F ZINC001755716921 1440905370 /nfs/dbraw/zinc/90/53/70/1440905370.db2.gz COUXWCYWXJJVJX-KSSFIOAISA-N 1 2 348.437 3.483 20 30 EGEDLO Cc1ncsc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000066564399 215054832 /nfs/dbraw/zinc/05/48/32/215054832.db2.gz YBYQOJIQJSGIIK-LLVKDONJSA-N 1 2 348.859 3.436 20 30 EGEDLO Cc1ncsc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000066564399 215054836 /nfs/dbraw/zinc/05/48/36/215054836.db2.gz YBYQOJIQJSGIIK-LLVKDONJSA-N 1 2 348.859 3.436 20 30 EGEDLO N#Cc1ccc([N+](=O)[O-])c(N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000341561387 283189323 /nfs/dbraw/zinc/18/93/23/283189323.db2.gz HMKSLIRWGDEJIS-UHFFFAOYSA-N 1 2 339.399 3.360 20 30 EGEDLO N#Cc1ccc(OCC[N@@H+]2CCSC[C@@H]2c2nccs2)cc1 ZINC000187047888 236103912 /nfs/dbraw/zinc/10/39/12/236103912.db2.gz BBISYXXILHSDGU-OAHLLOKOSA-N 1 2 331.466 3.184 20 30 EGEDLO N#Cc1ccc(OCC[N@H+]2CCSC[C@@H]2c2nccs2)cc1 ZINC000187047888 236103913 /nfs/dbraw/zinc/10/39/13/236103913.db2.gz BBISYXXILHSDGU-OAHLLOKOSA-N 1 2 331.466 3.184 20 30 EGEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CCS1 ZINC000072862495 216321458 /nfs/dbraw/zinc/32/14/58/216321458.db2.gz DGSQHPDESKIWDW-NWDGAFQWSA-N 1 2 349.525 3.263 20 30 EGEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CCS1 ZINC000072862495 216321459 /nfs/dbraw/zinc/32/14/59/216321459.db2.gz DGSQHPDESKIWDW-NWDGAFQWSA-N 1 2 349.525 3.263 20 30 EGEDLO C[C@H](C#N)Sc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000022859999 212329814 /nfs/dbraw/zinc/32/98/14/212329814.db2.gz VAZPOISFDHVTGO-CQSZACIVSA-N 1 2 327.457 3.257 20 30 EGEDLO N#Cc1ccc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c(F)c1 ZINC000264044176 246009322 /nfs/dbraw/zinc/00/93/22/246009322.db2.gz KTPVRYRJCNTCQX-IBGZPJMESA-N 1 2 325.387 3.183 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000267623666 251200500 /nfs/dbraw/zinc/20/05/00/251200500.db2.gz DVWCRUOVVVJBNU-KRWDZBQOSA-N 1 2 341.455 3.113 20 30 EGEDLO C[N@@H+]1CCO[C@@H]([C@H](Nc2ccc(C#N)cn2)c2ccc(Cl)cc2)C1 ZINC000301904975 258016273 /nfs/dbraw/zinc/01/62/73/258016273.db2.gz YIVGOFWZOUSFFA-SJLPKXTDSA-N 1 2 342.830 3.090 20 30 EGEDLO C[N@H+]1CCO[C@@H]([C@H](Nc2ccc(C#N)cn2)c2ccc(Cl)cc2)C1 ZINC000301904975 258016274 /nfs/dbraw/zinc/01/62/74/258016274.db2.gz YIVGOFWZOUSFFA-SJLPKXTDSA-N 1 2 342.830 3.090 20 30 EGEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc2c(c1)OCCO2 ZINC000097147945 258068615 /nfs/dbraw/zinc/06/86/15/258068615.db2.gz FZLCSGSYRQKRQT-UHFFFAOYSA-N 1 2 325.368 3.147 20 30 EGEDLO COc1ccc(CC(N)=[NH+]OCc2ccn(C3CCCC3)n2)cc1 ZINC000170668110 258071618 /nfs/dbraw/zinc/07/16/18/258071618.db2.gz DOOIRLRTBZTDDZ-UHFFFAOYSA-N 1 2 328.416 3.038 20 30 EGEDLO COc1cc(C#N)ccc1C[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000179658059 533496685 /nfs/dbraw/zinc/49/66/85/533496685.db2.gz RNVKIFBNSUYOGT-IBGZPJMESA-N 1 2 326.371 3.279 20 30 EGEDLO COc1cc(C#N)ccc1C[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000179658059 533496689 /nfs/dbraw/zinc/49/66/89/533496689.db2.gz RNVKIFBNSUYOGT-IBGZPJMESA-N 1 2 326.371 3.279 20 30 EGEDLO COc1ccc(N2CC[NH+](Cc3cc(C#N)ccc3F)CC2)cc1 ZINC000057358865 132199934 /nfs/dbraw/zinc/19/99/34/132199934.db2.gz ZLAKMOQKXSRUAC-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO CC(C)OC(=O)Cc1nc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cs1 ZINC000338376341 141111579 /nfs/dbraw/zinc/11/15/79/141111579.db2.gz LUEOBRWMWKLFPV-ZDUSSCGKSA-N 1 2 343.452 3.360 20 30 EGEDLO COc1ccccc1C[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173489959 144043446 /nfs/dbraw/zinc/04/34/46/144043446.db2.gz HTDBUFTUCWEGCY-UHFFFAOYSA-N 1 2 334.379 3.249 20 30 EGEDLO COc1ccccc1C[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173489959 144043448 /nfs/dbraw/zinc/04/34/48/144043448.db2.gz HTDBUFTUCWEGCY-UHFFFAOYSA-N 1 2 334.379 3.249 20 30 EGEDLO Cc1c(C#N)cccc1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000178553688 144072512 /nfs/dbraw/zinc/07/25/12/144072512.db2.gz ZXZJIIBLKDGBET-UHFFFAOYSA-N 1 2 331.379 3.374 20 30 EGEDLO N#Cc1ccc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000341244610 155217318 /nfs/dbraw/zinc/21/73/18/155217318.db2.gz VRUBNWYVPRLOQB-UHFFFAOYSA-N 1 2 328.441 3.149 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](Nc1nccc(C#N)c1Cl)c1ccccc1F ZINC000341456971 155303363 /nfs/dbraw/zinc/30/33/63/155303363.db2.gz NPWBKZKWHAHRDM-HNNXBMFYSA-N 1 2 341.777 3.103 20 30 EGEDLO CC1(C)CN(C(=O)c2ccc(C#N)c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000188284932 153009545 /nfs/dbraw/zinc/00/95/45/153009545.db2.gz AQZNUIQIGYPEIT-UHFFFAOYSA-N 1 2 349.434 3.000 20 30 EGEDLO CC1(C)CN(C(=O)c2ccc(C#N)c(O)c2)CC[N@H+]1Cc1ccccc1 ZINC000188284932 153009549 /nfs/dbraw/zinc/00/95/49/153009549.db2.gz AQZNUIQIGYPEIT-UHFFFAOYSA-N 1 2 349.434 3.000 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000191403848 153192811 /nfs/dbraw/zinc/19/28/11/153192811.db2.gz XWRPTXIQLSGJGY-HNNXBMFYSA-N 1 2 342.874 3.429 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191403848 153192817 /nfs/dbraw/zinc/19/28/17/153192817.db2.gz XWRPTXIQLSGJGY-HNNXBMFYSA-N 1 2 342.874 3.429 20 30 EGEDLO Cn1cc(CNc2cccc(-c3ccc4c(c3)OCCO4)[nH+]2)cc1C#N ZINC000191571675 153207087 /nfs/dbraw/zinc/20/70/87/153207087.db2.gz KAPJRYVSWKGFCF-UHFFFAOYSA-N 1 2 346.390 3.342 20 30 EGEDLO Cc1cc(C)c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000339704003 154935810 /nfs/dbraw/zinc/93/58/10/154935810.db2.gz MONWTIAIRCIJAI-UHFFFAOYSA-N 1 2 347.462 3.442 20 30 EGEDLO N#Cc1ccc(Oc2cccc(NC(=O)NCc3[nH]cc[nH+]3)c2)cc1 ZINC000092033941 161948701 /nfs/dbraw/zinc/94/87/01/161948701.db2.gz CSQWVOHOLLMGRD-UHFFFAOYSA-N 1 2 333.351 3.395 20 30 EGEDLO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC000101554878 162049871 /nfs/dbraw/zinc/04/98/71/162049871.db2.gz WYENEAIJQCXMHS-QGZVFWFLSA-N 1 2 348.450 3.016 20 30 EGEDLO COc1ccc(C#N)cc1C[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000337201982 163161558 /nfs/dbraw/zinc/16/15/58/163161558.db2.gz DQRMXIVUNRXQAJ-OAHLLOKOSA-N 1 2 334.778 3.183 20 30 EGEDLO N#Cc1ccccc1C[NH+]1CCN(c2cncc3ccccc32)CC1 ZINC000338539519 163266381 /nfs/dbraw/zinc/26/63/81/163266381.db2.gz HQFRDKBNGOKSSY-UHFFFAOYSA-N 1 2 328.419 3.429 20 30 EGEDLO COC(=O)c1sccc1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344063520 164094601 /nfs/dbraw/zinc/09/46/01/164094601.db2.gz DAODCYHWHDJWEZ-UHFFFAOYSA-N 1 2 344.436 3.055 20 30 EGEDLO COC(=O)c1sccc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344063520 164094602 /nfs/dbraw/zinc/09/46/02/164094602.db2.gz DAODCYHWHDJWEZ-UHFFFAOYSA-N 1 2 344.436 3.055 20 30 EGEDLO Cc1[nH]ncc1C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000344436083 164178612 /nfs/dbraw/zinc/17/86/12/164178612.db2.gz FWAJZQNOZJSSGG-UHFFFAOYSA-N 1 2 332.407 3.459 20 30 EGEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000348638298 164790072 /nfs/dbraw/zinc/79/00/72/164790072.db2.gz VXAUOUIETZXGKT-UHFFFAOYSA-N 1 2 342.874 3.176 20 30 EGEDLO Cc1cc(Cl)ccc1CN1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000348638298 164790074 /nfs/dbraw/zinc/79/00/74/164790074.db2.gz VXAUOUIETZXGKT-UHFFFAOYSA-N 1 2 342.874 3.176 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCc1noc(-c2ccc(C#N)c(C)n2)n1 ZINC000359148059 167081426 /nfs/dbraw/zinc/08/14/26/167081426.db2.gz VPDJNNDUTMJYOD-UHFFFAOYSA-N 1 2 344.378 3.213 20 30 EGEDLO C[N@@H+](Cc1ccc(Cl)cc1C#N)C[C@@H]1COc2ccccc2O1 ZINC000359827886 167242304 /nfs/dbraw/zinc/24/23/04/167242304.db2.gz DTZARGBFSMTTCN-MRXNPFEDSA-N 1 2 328.799 3.483 20 30 EGEDLO C[N@H+](Cc1ccc(Cl)cc1C#N)C[C@@H]1COc2ccccc2O1 ZINC000359827886 167242305 /nfs/dbraw/zinc/24/23/05/167242305.db2.gz DTZARGBFSMTTCN-MRXNPFEDSA-N 1 2 328.799 3.483 20 30 EGEDLO C[C@H]([NH2+]Cc1nnnn1C1CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000359871018 167253345 /nfs/dbraw/zinc/25/33/45/167253345.db2.gz HKARCPFPLGEVER-AWEZNQCLSA-N 1 2 344.422 3.397 20 30 EGEDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000360212740 167272706 /nfs/dbraw/zinc/27/27/06/167272706.db2.gz KTAPAEIWMBADCT-UHFFFAOYSA-N 1 2 346.390 3.133 20 30 EGEDLO COc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1C#N ZINC000367123621 168181739 /nfs/dbraw/zinc/18/17/39/168181739.db2.gz VCINKSABVYXHHF-HXUWFJFHSA-N 1 2 333.391 3.012 20 30 EGEDLO COc1ccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1C#N ZINC000367123621 168181742 /nfs/dbraw/zinc/18/17/42/168181742.db2.gz VCINKSABVYXHHF-HXUWFJFHSA-N 1 2 333.391 3.012 20 30 EGEDLO N#Cc1ccc(Cl)cc1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000122793181 222159049 /nfs/dbraw/zinc/15/90/49/222159049.db2.gz KYKRUEXFEULBNL-UHFFFAOYSA-N 1 2 332.860 3.380 20 30 EGEDLO N#Cc1ccc(Cl)cc1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000122793181 222159050 /nfs/dbraw/zinc/15/90/50/222159050.db2.gz KYKRUEXFEULBNL-UHFFFAOYSA-N 1 2 332.860 3.380 20 30 EGEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000455807712 269836897 /nfs/dbraw/zinc/83/68/97/269836897.db2.gz ZGURNLILHCCRNC-ZDUSSCGKSA-N 1 2 341.415 3.142 20 30 EGEDLO Cc1cnc([C@@H](C)[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cn1 ZINC000332408405 270045121 /nfs/dbraw/zinc/04/51/21/270045121.db2.gz ZTZRSBPKGLRUTA-CQSZACIVSA-N 1 2 341.846 3.193 20 30 EGEDLO COc1ccc(C[N@H+]([C@H](C)C(=O)OC(C)(C)C)C2CC2)cc1C#N ZINC000411901083 270046638 /nfs/dbraw/zinc/04/66/38/270046638.db2.gz DRLQCBJRUOFSJI-CYBMUJFWSA-N 1 2 330.428 3.261 20 30 EGEDLO COc1ccc(C[N@@H+]([C@H](C)C(=O)OC(C)(C)C)C2CC2)cc1C#N ZINC000411901083 270046640 /nfs/dbraw/zinc/04/66/40/270046640.db2.gz DRLQCBJRUOFSJI-CYBMUJFWSA-N 1 2 330.428 3.261 20 30 EGEDLO N#Cc1ccc(/C=C\C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000490920206 270057220 /nfs/dbraw/zinc/05/72/20/270057220.db2.gz WDFMMAUXHJFFQM-YFHOEESVSA-N 1 2 347.418 3.042 20 30 EGEDLO COc1cc(C#N)ccc1C[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000179654234 265387013 /nfs/dbraw/zinc/38/70/13/265387013.db2.gz QMEPTMXKXCJOKY-UHFFFAOYSA-N 1 2 343.814 3.291 20 30 EGEDLO COc1cc(C#N)ccc1C[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000179654234 265387017 /nfs/dbraw/zinc/38/70/17/265387017.db2.gz QMEPTMXKXCJOKY-UHFFFAOYSA-N 1 2 343.814 3.291 20 30 EGEDLO CC[N@H+](Cc1cnn(C)c1)Cc1ccc(Br)cc1C#N ZINC000287275441 266138848 /nfs/dbraw/zinc/13/88/48/266138848.db2.gz LOFQYKOLUAZWQJ-UHFFFAOYSA-N 1 2 333.233 3.076 20 30 EGEDLO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(Br)cc1C#N ZINC000287275441 266138853 /nfs/dbraw/zinc/13/88/53/266138853.db2.gz LOFQYKOLUAZWQJ-UHFFFAOYSA-N 1 2 333.233 3.076 20 30 EGEDLO C[C@@H](c1cc(F)ccc1F)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193766145 266999951 /nfs/dbraw/zinc/99/99/51/266999951.db2.gz NJWUUBAHGQCHNM-ZDUSSCGKSA-N 1 2 328.366 3.115 20 30 EGEDLO CC[N@H+](CC(=O)NCc1ccc(C#N)s1)Cc1ccccc1Cl ZINC000421916286 267053656 /nfs/dbraw/zinc/05/36/56/267053656.db2.gz LFKLSGOIUQFURB-UHFFFAOYSA-N 1 2 347.871 3.411 20 30 EGEDLO CC[N@@H+](CC(=O)NCc1ccc(C#N)s1)Cc1ccccc1Cl ZINC000421916286 267053660 /nfs/dbraw/zinc/05/36/60/267053660.db2.gz LFKLSGOIUQFURB-UHFFFAOYSA-N 1 2 347.871 3.411 20 30 EGEDLO CCOc1cccc(C[N@H+](CCO)Cc2cc(F)ccc2C#N)c1 ZINC000452046290 267174039 /nfs/dbraw/zinc/17/40/39/267174039.db2.gz KKMUZGIYSXRFGU-UHFFFAOYSA-N 1 2 328.387 3.091 20 30 EGEDLO CCOc1cccc(C[N@@H+](CCO)Cc2cc(F)ccc2C#N)c1 ZINC000452046290 267174041 /nfs/dbraw/zinc/17/40/41/267174041.db2.gz KKMUZGIYSXRFGU-UHFFFAOYSA-N 1 2 328.387 3.091 20 30 EGEDLO CCc1cc(N)nc(SCc2ccc(C#N)cc2Br)[nH+]1 ZINC000447790565 267243634 /nfs/dbraw/zinc/24/36/34/267243634.db2.gz YEZCKKUVBKZKAA-UHFFFAOYSA-N 1 2 349.257 3.378 20 30 EGEDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000494102469 267275886 /nfs/dbraw/zinc/27/58/86/267275886.db2.gz SFNNCTLDNIDUNL-HNNXBMFYSA-N 1 2 333.407 3.139 20 30 EGEDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000494102469 267275888 /nfs/dbraw/zinc/27/58/88/267275888.db2.gz SFNNCTLDNIDUNL-HNNXBMFYSA-N 1 2 333.407 3.139 20 30 EGEDLO C[C@@H]1CN(c2ccc(NCc3ccc(C#N)c(F)c3)c[nH+]2)C[C@H](C)O1 ZINC000421340388 267764230 /nfs/dbraw/zinc/76/42/30/267764230.db2.gz ILGGEBRYMZCNSV-OKILXGFUSA-N 1 2 340.402 3.318 20 30 EGEDLO N#Cc1ccc(Cl)c(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000285475321 268096664 /nfs/dbraw/zinc/09/66/64/268096664.db2.gz OAFAIDBWUNAQCG-UHFFFAOYSA-N 1 2 340.814 3.137 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(F)c(F)c(F)c3)C2)nc1 ZINC000292864140 268182962 /nfs/dbraw/zinc/18/29/62/268182962.db2.gz VRGWMMCBMUHWNQ-CYBMUJFWSA-N 1 2 333.313 3.024 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(F)c(F)c(F)c3)C2)nc1 ZINC000292864140 268182965 /nfs/dbraw/zinc/18/29/65/268182965.db2.gz VRGWMMCBMUHWNQ-CYBMUJFWSA-N 1 2 333.313 3.024 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cc1 ZINC000444768914 268221214 /nfs/dbraw/zinc/22/12/14/268221214.db2.gz WEWQTSUHKOKDIM-UHFFFAOYSA-N 1 2 336.826 3.406 20 30 EGEDLO N#Cc1cccc(/C=C\C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000491120005 268268703 /nfs/dbraw/zinc/26/87/03/268268703.db2.gz PVTCMIWRDNQAJE-FPLPWBNLSA-N 1 2 346.434 3.273 20 30 EGEDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)Cc2ccccc21 ZINC000441129228 269664980 /nfs/dbraw/zinc/66/49/80/269664980.db2.gz UIQMUFSJCKBEKO-LJQANCHMSA-N 1 2 338.382 3.360 20 30 EGEDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)Cc2ccccc21 ZINC000441129228 269664981 /nfs/dbraw/zinc/66/49/81/269664981.db2.gz UIQMUFSJCKBEKO-LJQANCHMSA-N 1 2 338.382 3.360 20 30 EGEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000360622607 274919651 /nfs/dbraw/zinc/91/96/51/274919651.db2.gz YBHZHAVJPMPITQ-UHFFFAOYSA-N 1 2 342.389 3.406 20 30 EGEDLO CC[C@](C)([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1nccs1 ZINC000535964207 314085977 /nfs/dbraw/zinc/08/59/77/314085977.db2.gz PUHQMBMIMAFPFW-KRWDZBQOSA-N 1 2 329.425 3.216 20 30 EGEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cccc(C#N)c3)CC2)c1 ZINC000171589557 533703684 /nfs/dbraw/zinc/70/36/84/533703684.db2.gz NCWSCTSFYDRFNM-MRXNPFEDSA-N 1 2 349.434 3.086 20 30 EGEDLO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+](C)CC(C)(C)C#N ZINC000433317189 457808070 /nfs/dbraw/zinc/80/80/70/457808070.db2.gz KTQLPZHMYVBBPH-GFCCVEGCSA-N 1 2 339.842 3.308 20 30 EGEDLO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+](C)CC(C)(C)C#N ZINC000433317189 457808076 /nfs/dbraw/zinc/80/80/76/457808076.db2.gz KTQLPZHMYVBBPH-GFCCVEGCSA-N 1 2 339.842 3.308 20 30 EGEDLO C=CCCCS(=O)(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000427774456 458033902 /nfs/dbraw/zinc/03/39/02/458033902.db2.gz ABAMWDMKSQRSCF-UHFFFAOYSA-N 1 2 325.821 3.234 20 30 EGEDLO N#CC1(C[N@H+](CCO)Cc2cc(Br)ccc2F)CCC1 ZINC000450352259 458446085 /nfs/dbraw/zinc/44/60/85/458446085.db2.gz XNCNSWUACRKYCF-UHFFFAOYSA-N 1 2 341.224 3.076 20 30 EGEDLO N#CC1(C[N@@H+](CCO)Cc2cc(Br)ccc2F)CCC1 ZINC000450352259 458446089 /nfs/dbraw/zinc/44/60/89/458446089.db2.gz XNCNSWUACRKYCF-UHFFFAOYSA-N 1 2 341.224 3.076 20 30 EGEDLO Cc1cc(N[C@@H](c2cncc(Br)c2)C2CC2)c(C#N)c[nH+]1 ZINC000569449477 459452546 /nfs/dbraw/zinc/45/25/46/459452546.db2.gz DTXSLEHGFFTNQR-MRXNPFEDSA-N 1 2 343.228 3.404 20 30 EGEDLO C/C=C/c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@](C)(C#N)C2)c(OC)c1 ZINC000612165974 460557850 /nfs/dbraw/zinc/55/78/50/460557850.db2.gz QEOWBNNIBMEZBE-DFUPXEOGSA-N 1 2 344.455 3.094 20 30 EGEDLO C/C=C/c1ccc(OC[C@H](O)C[N@H+]2CCC[C@@](C)(C#N)C2)c(OC)c1 ZINC000612165974 460557854 /nfs/dbraw/zinc/55/78/54/460557854.db2.gz QEOWBNNIBMEZBE-DFUPXEOGSA-N 1 2 344.455 3.094 20 30 EGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cccc(C#N)c1 ZINC000190437097 455317621 /nfs/dbraw/zinc/31/76/21/455317621.db2.gz XMHMQJWJFNZXMJ-UHFFFAOYSA-N 1 2 325.416 3.261 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000018175751 453646029 /nfs/dbraw/zinc/64/60/29/453646029.db2.gz VUORLDKXVTWHME-UHFFFAOYSA-N 1 2 338.386 3.047 20 30 EGEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000029534375 453829716 /nfs/dbraw/zinc/82/97/16/453829716.db2.gz RYUMCEADTHOJFM-INIZCTEOSA-N 1 2 341.436 3.022 20 30 EGEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000029534375 453829717 /nfs/dbraw/zinc/82/97/17/453829717.db2.gz RYUMCEADTHOJFM-INIZCTEOSA-N 1 2 341.436 3.022 20 30 EGEDLO C=C(C)CN(CC)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000054007057 453904882 /nfs/dbraw/zinc/90/48/82/453904882.db2.gz LDVIKTRTKNSAQX-INIZCTEOSA-N 1 2 330.407 3.256 20 30 EGEDLO Cn1cc([C@@H]([NH2+]CC#Cc2ccc(F)cc2)c2ccc(F)cc2)cn1 ZINC000184588535 455408328 /nfs/dbraw/zinc/40/83/28/455408328.db2.gz NUGJOULZNDKQIY-FQEVSTJZSA-N 1 2 337.373 3.429 20 30 EGEDLO N#CCOc1cccc(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000088361640 454100941 /nfs/dbraw/zinc/10/09/41/454100941.db2.gz LPIULRVYOWVVNP-OAHLLOKOSA-N 1 2 325.372 3.071 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)/C=C/c1cccc(C#N)c1 ZINC000057346122 454120978 /nfs/dbraw/zinc/12/09/78/454120978.db2.gz RKKJAZVXSLBBKT-ZHACJKMWSA-N 1 2 344.418 3.436 20 30 EGEDLO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1 ZINC000089141048 454123781 /nfs/dbraw/zinc/12/37/81/454123781.db2.gz FWQFJXVFMSBDON-SCLBCKFNSA-N 1 2 326.371 3.337 20 30 EGEDLO Cc1onc(-c2ccccc2)c1-c1nnc(C[NH+]2CCC(C#N)CC2)o1 ZINC000057907050 454156131 /nfs/dbraw/zinc/15/61/31/454156131.db2.gz IKCIRMVCTVIHCP-UHFFFAOYSA-N 1 2 349.394 3.436 20 30 EGEDLO Cc1nc(-c2cccc(NC(=O)C[NH+]3CCC(C#N)CC3)c2)cs1 ZINC000057908010 454156306 /nfs/dbraw/zinc/15/63/06/454156306.db2.gz COEVQUJRWVXDDW-UHFFFAOYSA-N 1 2 340.452 3.293 20 30 EGEDLO COc1cccc(C[N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)c1 ZINC000078321615 454231414 /nfs/dbraw/zinc/23/14/14/454231414.db2.gz BRJKKKOOGBPAPD-UHFFFAOYSA-N 1 2 343.452 3.316 20 30 EGEDLO COc1cccc(C[N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)c1 ZINC000078321615 454231417 /nfs/dbraw/zinc/23/14/17/454231417.db2.gz BRJKKKOOGBPAPD-UHFFFAOYSA-N 1 2 343.452 3.316 20 30 EGEDLO COCC[N@H+](CCC#N)Cc1ccc(-c2ccccc2C(=O)OC)o1 ZINC000132308873 454328301 /nfs/dbraw/zinc/32/83/01/454328301.db2.gz WFLLAHAETABFMD-UHFFFAOYSA-N 1 2 342.395 3.095 20 30 EGEDLO COCC[N@@H+](CCC#N)Cc1ccc(-c2ccccc2C(=O)OC)o1 ZINC000132308873 454328307 /nfs/dbraw/zinc/32/83/07/454328307.db2.gz WFLLAHAETABFMD-UHFFFAOYSA-N 1 2 342.395 3.095 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000072692959 454329364 /nfs/dbraw/zinc/32/93/64/454329364.db2.gz ZACDFGIHVRWVRI-UHFFFAOYSA-N 1 2 344.459 3.235 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000072692959 454329371 /nfs/dbraw/zinc/32/93/71/454329371.db2.gz ZACDFGIHVRWVRI-UHFFFAOYSA-N 1 2 344.459 3.235 20 30 EGEDLO C=CC[N@H+](CC(=O)NCCCc1ccccc1)Cc1cccc(C#N)c1 ZINC000063300690 454403712 /nfs/dbraw/zinc/40/37/12/454403712.db2.gz WKPWGRZXCKQUNU-UHFFFAOYSA-N 1 2 347.462 3.295 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCCCc1ccccc1)Cc1cccc(C#N)c1 ZINC000063300690 454403718 /nfs/dbraw/zinc/40/37/18/454403718.db2.gz WKPWGRZXCKQUNU-UHFFFAOYSA-N 1 2 347.462 3.295 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1cc(F)ccc1F)Cc1cccc(C#N)c1 ZINC000063300672 454404044 /nfs/dbraw/zinc/40/40/44/454404044.db2.gz XTJNSLURVXKHBK-UHFFFAOYSA-N 1 2 341.361 3.463 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1cc(F)ccc1F)Cc1cccc(C#N)c1 ZINC000063300672 454404049 /nfs/dbraw/zinc/40/40/49/454404049.db2.gz XTJNSLURVXKHBK-UHFFFAOYSA-N 1 2 341.361 3.463 20 30 EGEDLO C#CC[N@H+](Cc1cc(-c2ccccc2)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000092194558 454534704 /nfs/dbraw/zinc/53/47/04/454534704.db2.gz FMSVBBIEJWUUGK-KRWDZBQOSA-N 1 2 345.489 3.037 20 30 EGEDLO C#CC[N@@H+](Cc1cc(-c2ccccc2)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000092194558 454534705 /nfs/dbraw/zinc/53/47/05/454534705.db2.gz FMSVBBIEJWUUGK-KRWDZBQOSA-N 1 2 345.489 3.037 20 30 EGEDLO C=CC[N@@H+](Cc1cc(=O)n2c(C)cccc2n1)Cc1ccccc1F ZINC000122712117 454562677 /nfs/dbraw/zinc/56/26/77/454562677.db2.gz SZEOWPWEXBPBCS-UHFFFAOYSA-N 1 2 337.398 3.330 20 30 EGEDLO C=CC[N@H+](Cc1cc(=O)n2c(C)cccc2n1)Cc1ccccc1F ZINC000122712117 454562684 /nfs/dbraw/zinc/56/26/84/454562684.db2.gz SZEOWPWEXBPBCS-UHFFFAOYSA-N 1 2 337.398 3.330 20 30 EGEDLO Cc1cc(C)cc(C2=CC[N@@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)c1 ZINC000092428370 454564741 /nfs/dbraw/zinc/56/47/41/454564741.db2.gz MRFUTOMMRJAJKK-NRFANRHFSA-N 1 2 345.446 3.491 20 30 EGEDLO Cc1cc(C)cc(C2=CC[N@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)c1 ZINC000092428370 454564744 /nfs/dbraw/zinc/56/47/44/454564744.db2.gz MRFUTOMMRJAJKK-NRFANRHFSA-N 1 2 345.446 3.491 20 30 EGEDLO C=CCNC(=O)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000080424320 454577886 /nfs/dbraw/zinc/57/78/86/454577886.db2.gz FANRHPFLXXGZAM-UHFFFAOYSA-N 1 2 346.390 3.040 20 30 EGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000051180198 454611961 /nfs/dbraw/zinc/61/19/61/454611961.db2.gz CGQVLPHXGQLHCZ-UHFFFAOYSA-N 1 2 331.341 3.298 20 30 EGEDLO CC[C@H](C#N)NC(=O)c1ccccc1OCc1cn2cccc(C)c2[nH+]1 ZINC000123658571 454662601 /nfs/dbraw/zinc/66/26/01/454662601.db2.gz FMVXRVIXYOUBQJ-OAHLLOKOSA-N 1 2 348.406 3.254 20 30 EGEDLO CC[N@H+](CCC#N)CCC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000081039421 454676295 /nfs/dbraw/zinc/67/62/95/454676295.db2.gz KDKPSRVRGMWJFU-UHFFFAOYSA-N 1 2 349.434 3.482 20 30 EGEDLO CC[N@@H+](CCC#N)CCC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000081039421 454676297 /nfs/dbraw/zinc/67/62/97/454676297.db2.gz KDKPSRVRGMWJFU-UHFFFAOYSA-N 1 2 349.434 3.482 20 30 EGEDLO NC(=[NH+]OC/C(Cl)=C/Cl)c1ccc(N2CCCCC2)nc1 ZINC000124108083 454699652 /nfs/dbraw/zinc/69/96/52/454699652.db2.gz NCKSUVDLNAXNBZ-WQLSENKSSA-N 1 2 329.231 3.028 20 30 EGEDLO N#Cc1ccc(CNc2ccc([NH+]3CCCCC3)cc2C(N)=O)cc1 ZINC000124127045 454700867 /nfs/dbraw/zinc/70/08/67/454700867.db2.gz FWSYPYTYUPTHDP-UHFFFAOYSA-N 1 2 334.423 3.260 20 30 EGEDLO C=CCN(C)C(=O)c1cccc(OCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000161593447 454706487 /nfs/dbraw/zinc/70/64/87/454706487.db2.gz CVQGRALNAHWVSU-UHFFFAOYSA-N 1 2 335.407 3.480 20 30 EGEDLO N#CCC[C@H](C#N)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000153046775 454755826 /nfs/dbraw/zinc/75/58/26/454755826.db2.gz ILHMRNQWDZVWJB-CQSZACIVSA-N 1 2 336.361 3.271 20 30 EGEDLO COc1cc(CNc2[nH+]cccc2OCCCC#N)cc(OC)c1 ZINC000162238943 454761582 /nfs/dbraw/zinc/76/15/82/454761582.db2.gz YWNQKGIZAAMDLG-UHFFFAOYSA-N 1 2 327.384 3.393 20 30 EGEDLO COc1ccc(CNc2[nH+]cccc2OCCCC#N)cc1[N+](=O)[O-] ZINC000162239063 454761982 /nfs/dbraw/zinc/76/19/82/454761982.db2.gz SWSRVIQNNZLMMJ-UHFFFAOYSA-N 1 2 342.355 3.293 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(C#N)cs1)c1cccc(F)c1 ZINC000176895378 454795737 /nfs/dbraw/zinc/79/57/37/454795737.db2.gz BZJNZULYZRHSHN-HNNXBMFYSA-N 1 2 340.383 3.012 20 30 EGEDLO COc1ccc(C#N)cc1C[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000127255786 454949036 /nfs/dbraw/zinc/94/90/36/454949036.db2.gz DQRRYPISSVZUHF-UHFFFAOYSA-N 1 2 343.814 3.291 20 30 EGEDLO COc1ccc(C#N)cc1C[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000127255786 454949038 /nfs/dbraw/zinc/94/90/38/454949038.db2.gz DQRRYPISSVZUHF-UHFFFAOYSA-N 1 2 343.814 3.291 20 30 EGEDLO C[N@H+](CCCC(C)(C)C#N)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000155509403 455010009 /nfs/dbraw/zinc/01/00/09/455010009.db2.gz XRKFNUQHURPRGQ-AWEZNQCLSA-N 1 2 340.876 3.430 20 30 EGEDLO C[N@@H+](CCCC(C)(C)C#N)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000155509403 455010014 /nfs/dbraw/zinc/01/00/14/455010014.db2.gz XRKFNUQHURPRGQ-AWEZNQCLSA-N 1 2 340.876 3.430 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+](C)[C@H](C)c2ccccn2)c(C#N)c1C ZINC000127975220 455014882 /nfs/dbraw/zinc/01/48/82/455014882.db2.gz XAVHUJLXFMJSRQ-GFCCVEGCSA-N 1 2 328.441 3.263 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+](C)[C@H](C)c2ccccn2)c(C#N)c1C ZINC000127975220 455014885 /nfs/dbraw/zinc/01/48/85/455014885.db2.gz XAVHUJLXFMJSRQ-GFCCVEGCSA-N 1 2 328.441 3.263 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCCCCC#N)C[C@H](C)O1 ZINC000171374386 455066038 /nfs/dbraw/zinc/06/60/38/455066038.db2.gz SAXWENZTVQHITI-IYBDPMFKSA-N 1 2 344.459 3.111 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCCCCC#N)C[C@H](C)O1 ZINC000171374386 455066043 /nfs/dbraw/zinc/06/60/43/455066043.db2.gz SAXWENZTVQHITI-IYBDPMFKSA-N 1 2 344.459 3.111 20 30 EGEDLO C=CCCC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000179789293 455079337 /nfs/dbraw/zinc/07/93/37/455079337.db2.gz DGLRBAJTUWVVEL-ZDUSSCGKSA-N 1 2 328.372 3.255 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c(F)c1 ZINC000152240427 455091160 /nfs/dbraw/zinc/09/11/60/455091160.db2.gz KGSWNJSCHRLKPQ-OAHLLOKOSA-N 1 2 325.391 3.072 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c(F)c1 ZINC000152240427 455091166 /nfs/dbraw/zinc/09/11/66/455091166.db2.gz KGSWNJSCHRLKPQ-OAHLLOKOSA-N 1 2 325.391 3.072 20 30 EGEDLO C=CCCC[C@H](C)NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000180432898 455168906 /nfs/dbraw/zinc/16/89/06/455168906.db2.gz KBERQKCVGTYJTJ-PKOBYXMFSA-N 1 2 345.487 3.104 20 30 EGEDLO CCC(CC)CN(CCC#N)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000264230302 455194256 /nfs/dbraw/zinc/19/42/56/455194256.db2.gz XUZXAXJPMUZROH-UHFFFAOYSA-N 1 2 325.416 3.059 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCS[C@@H](C(C)C)C2)c(C#N)c1C ZINC000245459404 455306152 /nfs/dbraw/zinc/30/61/52/455306152.db2.gz VIKXHOMWLPQLQU-SWLSCSKDSA-N 1 2 335.473 3.169 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCS[C@@H](C(C)C)C2)c(C#N)c1C ZINC000245459404 455306155 /nfs/dbraw/zinc/30/61/55/455306155.db2.gz VIKXHOMWLPQLQU-SWLSCSKDSA-N 1 2 335.473 3.169 20 30 EGEDLO C=CC[C@@H](C)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000265416433 455321331 /nfs/dbraw/zinc/32/13/31/455321331.db2.gz INBHAQHLXHTASU-DOMZBBRYSA-N 1 2 332.835 3.427 20 30 EGEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000158770062 455327712 /nfs/dbraw/zinc/32/77/12/455327712.db2.gz MIUFJXYDJTZQPJ-UHFFFAOYSA-N 1 2 343.446 3.358 20 30 EGEDLO COc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000183948023 455342960 /nfs/dbraw/zinc/34/29/60/455342960.db2.gz XUTCOEJJXDABJW-INIZCTEOSA-N 1 2 349.434 3.086 20 30 EGEDLO COc1ccc(-c2nc(CO[NH+]=C(N)[C@H](C)OCC(C)C)co2)cc1 ZINC000174227464 455371585 /nfs/dbraw/zinc/37/15/85/455371585.db2.gz BWSVIMDLJMBEMO-ZDUSSCGKSA-N 1 2 347.415 3.200 20 30 EGEDLO C=C(C)COc1cc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)ccc1OC ZINC000245751508 455373235 /nfs/dbraw/zinc/37/32/35/455373235.db2.gz HDUZWESDJANPFR-UYAOXDASSA-N 1 2 347.455 3.030 20 30 EGEDLO C=C(C)COc1cc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)ccc1OC ZINC000245751508 455373238 /nfs/dbraw/zinc/37/32/38/455373238.db2.gz HDUZWESDJANPFR-UYAOXDASSA-N 1 2 347.455 3.030 20 30 EGEDLO O=C(NCCn1cc[nH+]c1)Nc1ccccc1C#Cc1ccccc1 ZINC000175049656 455421386 /nfs/dbraw/zinc/42/13/86/455421386.db2.gz FHOVFLXMQKJXHK-UHFFFAOYSA-N 1 2 330.391 3.105 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000266077433 455422920 /nfs/dbraw/zinc/42/29/20/455422920.db2.gz VHPUEWAPNQQQPO-CQSZACIVSA-N 1 2 331.847 3.239 20 30 EGEDLO N#Cc1ccc(C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)[nH]1 ZINC000160059425 455425402 /nfs/dbraw/zinc/42/54/02/455425402.db2.gz XIDHHTDWFPEEGS-UHFFFAOYSA-N 1 2 331.379 3.338 20 30 EGEDLO C=C[C@](C)(CC)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000191169414 455456539 /nfs/dbraw/zinc/45/65/39/455456539.db2.gz LPEXQIJABFBIAV-LJQANCHMSA-N 1 2 327.428 3.423 20 30 EGEDLO CC[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000161004146 455523455 /nfs/dbraw/zinc/52/34/55/455523455.db2.gz ANHZWNVPAONGPT-IRXDYDNUSA-N 1 2 329.350 3.104 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000185264736 455530874 /nfs/dbraw/zinc/53/08/74/455530874.db2.gz AVFOANPTBNEBIE-LSDHHAIUSA-N 1 2 346.475 3.357 20 30 EGEDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N(CC)C[C@H](C)C#N)s1 ZINC000246994865 455541750 /nfs/dbraw/zinc/54/17/50/455541750.db2.gz SVNOITYXSXBTMI-TZMCWYRMSA-N 1 2 336.505 3.015 20 30 EGEDLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N(CC)C[C@H](C)C#N)s1 ZINC000246994865 455541755 /nfs/dbraw/zinc/54/17/55/455541755.db2.gz SVNOITYXSXBTMI-TZMCWYRMSA-N 1 2 336.505 3.015 20 30 EGEDLO N#Cc1ccc(NC[C@@H](c2ccccc2Cl)[NH+]2CCOCC2)cn1 ZINC000267360521 455547063 /nfs/dbraw/zinc/54/70/63/455547063.db2.gz HZMWAJKUZKWCES-SFHVURJKSA-N 1 2 342.830 3.092 20 30 EGEDLO Cc1cc(-n2cc[nH+]c2)ccc1CN(CCC#N)Cc1ccccn1 ZINC000192058884 455550128 /nfs/dbraw/zinc/55/01/28/455550128.db2.gz XEBZTEDTIMPPRY-UHFFFAOYSA-N 1 2 331.423 3.492 20 30 EGEDLO C=CCCOCCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000161544280 455579682 /nfs/dbraw/zinc/57/96/82/455579682.db2.gz FDIOOYNZRQAANB-UHFFFAOYSA-N 1 2 328.372 3.365 20 30 EGEDLO CC(C)CO[C@@H](C)C(N)=[NH+]O[C@H](C)c1noc(-c2ccccc2)n1 ZINC000284378201 455676330 /nfs/dbraw/zinc/67/63/30/455676330.db2.gz LVMQZMDBMXCYRO-QWHCGFSZSA-N 1 2 332.404 3.148 20 30 EGEDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3C)CC2)s1 ZINC000186173078 455710646 /nfs/dbraw/zinc/71/06/46/455710646.db2.gz OYBNSRWCEHHHSC-UHFFFAOYSA-N 1 2 339.464 3.195 20 30 EGEDLO C[N@H+](CCC#N)C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000292777724 455755268 /nfs/dbraw/zinc/75/52/68/455755268.db2.gz KGTXXGRYDHPZCA-CYBMUJFWSA-N 1 2 331.641 3.155 20 30 EGEDLO C[N@@H+](CCC#N)C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000292777724 455755271 /nfs/dbraw/zinc/75/52/71/455755271.db2.gz KGTXXGRYDHPZCA-CYBMUJFWSA-N 1 2 331.641 3.155 20 30 EGEDLO C=CCc1cc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc(OC)c1O ZINC000294032677 455803772 /nfs/dbraw/zinc/80/37/72/455803772.db2.gz OIYNHOFRGNLHCG-PMACEKPBSA-N 1 2 329.440 3.273 20 30 EGEDLO C=CCc1cc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc(OC)c1O ZINC000294032677 455803777 /nfs/dbraw/zinc/80/37/77/455803777.db2.gz OIYNHOFRGNLHCG-PMACEKPBSA-N 1 2 329.440 3.273 20 30 EGEDLO C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccccn1 ZINC000295215847 455842099 /nfs/dbraw/zinc/84/20/99/455842099.db2.gz VETOQBGEOISGOD-UHFFFAOYSA-N 1 2 342.830 3.114 20 30 EGEDLO C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccccn1 ZINC000295215847 455842103 /nfs/dbraw/zinc/84/21/03/455842103.db2.gz VETOQBGEOISGOD-UHFFFAOYSA-N 1 2 342.830 3.114 20 30 EGEDLO CCCCCCCCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000269953311 455854438 /nfs/dbraw/zinc/85/44/38/455854438.db2.gz QHZPZMRASCWOEM-UHFFFAOYSA-N 1 2 348.491 3.078 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(Oc3cnccn3)cc2)n1 ZINC000279331735 455862131 /nfs/dbraw/zinc/86/21/31/455862131.db2.gz CZMSKRZFZXFFHO-UHFFFAOYSA-N 1 2 347.422 3.121 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(Oc3cnccn3)cc2)n1 ZINC000279331735 455862136 /nfs/dbraw/zinc/86/21/36/455862136.db2.gz CZMSKRZFZXFFHO-UHFFFAOYSA-N 1 2 347.422 3.121 20 30 EGEDLO C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000194835875 455889080 /nfs/dbraw/zinc/88/90/80/455889080.db2.gz RKJIUZNLYACODB-CQSZACIVSA-N 1 2 339.395 3.202 20 30 EGEDLO N#Cc1ccc(C[N@@H+](CC(=O)Nc2cc(F)ccc2F)C2CC2)cc1 ZINC000194965261 455906879 /nfs/dbraw/zinc/90/68/79/455906879.db2.gz ADTFSWMWNXUROW-UHFFFAOYSA-N 1 2 341.361 3.440 20 30 EGEDLO N#Cc1ccc(C[N@H+](CC(=O)Nc2cc(F)ccc2F)C2CC2)cc1 ZINC000194965261 455906885 /nfs/dbraw/zinc/90/68/85/455906885.db2.gz ADTFSWMWNXUROW-UHFFFAOYSA-N 1 2 341.361 3.440 20 30 EGEDLO C#CCOc1ccc(F)cc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000272329274 455915689 /nfs/dbraw/zinc/91/56/89/455915689.db2.gz XOGYWQAAESWHIJ-UHFFFAOYSA-N 1 2 325.387 3.314 20 30 EGEDLO C[C@@H](NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C)c1ccc(C#N)cc1 ZINC000296366209 455919303 /nfs/dbraw/zinc/91/93/03/455919303.db2.gz OVJWULDLOXHOCI-CZUORRHYSA-N 1 2 337.427 3.145 20 30 EGEDLO COc1cc(Br)c(C[NH+]2CCC(C#N)CC2)cc1OC ZINC000195314828 455944278 /nfs/dbraw/zinc/94/42/78/455944278.db2.gz YIZJPIVVEBOXFE-UHFFFAOYSA-N 1 2 339.233 3.202 20 30 EGEDLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000288440446 456095796 /nfs/dbraw/zinc/09/57/96/456095796.db2.gz NFXWHTQFPBEQJK-OAHLLOKOSA-N 1 2 338.386 3.120 20 30 EGEDLO Cc1nsc(N2CC[NH+](Cc3cnc4ccccc4c3)CC2)c1C#N ZINC000289374212 456122801 /nfs/dbraw/zinc/12/28/01/456122801.db2.gz BORQJXLWRQQQPW-UHFFFAOYSA-N 1 2 349.463 3.194 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)c2ncc(-c3ccccc3)o2)C1=O ZINC000281375336 456217244 /nfs/dbraw/zinc/21/72/44/456217244.db2.gz OTUYWNKXMPJRJU-GDBMZVCRSA-N 1 2 325.412 3.121 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)c2ncc(-c3ccccc3)o2)C1=O ZINC000281375336 456217251 /nfs/dbraw/zinc/21/72/51/456217251.db2.gz OTUYWNKXMPJRJU-GDBMZVCRSA-N 1 2 325.412 3.121 20 30 EGEDLO Cc1sc(NC(=O)C[NH+]2CCC([C@@H]3CCCO3)CC2)c(C#N)c1C ZINC000189138072 456237666 /nfs/dbraw/zinc/23/76/66/456237666.db2.gz OSMLBOGTCSNHCU-INIZCTEOSA-N 1 2 347.484 3.066 20 30 EGEDLO C[NH+](C)[C@H](CNC(=O)c1cccc(F)c1C#N)c1c(F)cccc1F ZINC000189180120 456247072 /nfs/dbraw/zinc/24/70/72/456247072.db2.gz YPCBASPSEZSJQZ-MRXNPFEDSA-N 1 2 347.340 3.008 20 30 EGEDLO CC[C@H](CC#N)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000274684637 456263341 /nfs/dbraw/zinc/26/33/41/456263341.db2.gz XZLIAURYBZWRPZ-CHWSQXEVSA-N 1 2 335.477 3.189 20 30 EGEDLO CC[C@H](CC#N)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000274684637 456263346 /nfs/dbraw/zinc/26/33/46/456263346.db2.gz XZLIAURYBZWRPZ-CHWSQXEVSA-N 1 2 335.477 3.189 20 30 EGEDLO C=CCCOCCCCC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000342868644 456285197 /nfs/dbraw/zinc/28/51/97/456285197.db2.gz YMKHKEFEWUEZDW-SFHVURJKSA-N 1 2 345.487 3.050 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000352801354 456319781 /nfs/dbraw/zinc/31/97/81/456319781.db2.gz KCERFMYVKONKEZ-UHFFFAOYSA-N 1 2 346.383 3.267 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000352801354 456319788 /nfs/dbraw/zinc/31/97/88/456319788.db2.gz KCERFMYVKONKEZ-UHFFFAOYSA-N 1 2 346.383 3.267 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(Cl)c(O)c(OCC)c2)n1 ZINC000298101393 456364499 /nfs/dbraw/zinc/36/44/99/456364499.db2.gz NLGXNOUACONDLX-UHFFFAOYSA-N 1 2 347.846 3.296 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(Cl)c(O)c(OCC)c2)n1 ZINC000298101393 456364507 /nfs/dbraw/zinc/36/45/07/456364507.db2.gz NLGXNOUACONDLX-UHFFFAOYSA-N 1 2 347.846 3.296 20 30 EGEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1ccc(C#N)s1 ZINC000337546616 456370536 /nfs/dbraw/zinc/37/05/36/456370536.db2.gz OXFZHNXWRLFABV-AWEZNQCLSA-N 1 2 327.453 3.271 20 30 EGEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1ccc(C#N)s1 ZINC000337546616 456370542 /nfs/dbraw/zinc/37/05/42/456370542.db2.gz OXFZHNXWRLFABV-AWEZNQCLSA-N 1 2 327.453 3.271 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2c2nc3ccccc3s2)C1=O ZINC000282090890 456411048 /nfs/dbraw/zinc/41/10/48/456411048.db2.gz VHBYJMMLMBVWQZ-LSDHHAIUSA-N 1 2 327.453 3.220 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2c2nc3ccccc3s2)C1=O ZINC000282090890 456411054 /nfs/dbraw/zinc/41/10/54/456411054.db2.gz VHBYJMMLMBVWQZ-LSDHHAIUSA-N 1 2 327.453 3.220 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(=O)c(OC)co1 ZINC000352951482 456423291 /nfs/dbraw/zinc/42/32/91/456423291.db2.gz OFHCUVVRUZACSJ-UHFFFAOYSA-N 1 2 331.416 3.004 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(=O)c(OC)co1 ZINC000352951482 456423296 /nfs/dbraw/zinc/42/32/96/456423296.db2.gz OFHCUVVRUZACSJ-UHFFFAOYSA-N 1 2 331.416 3.004 20 30 EGEDLO CCOC(=O)[C@H]1C[N@H+](Cc2cc(C#N)cs2)Cc2ccccc21 ZINC000352957026 456424405 /nfs/dbraw/zinc/42/44/05/456424405.db2.gz MOJJAUYUXHOQEQ-KRWDZBQOSA-N 1 2 326.421 3.282 20 30 EGEDLO CCOC(=O)[C@H]1C[N@@H+](Cc2cc(C#N)cs2)Cc2ccccc21 ZINC000352957026 456424409 /nfs/dbraw/zinc/42/44/09/456424409.db2.gz MOJJAUYUXHOQEQ-KRWDZBQOSA-N 1 2 326.421 3.282 20 30 EGEDLO CC[C@@H](C#N)Oc1cccc(CNc2cc(N3CCCC3)nc[nH+]2)c1 ZINC000302920724 456437150 /nfs/dbraw/zinc/43/71/50/456437150.db2.gz ZMUVNHYQEDGUGK-INIZCTEOSA-N 1 2 337.427 3.370 20 30 EGEDLO CC[C@@H](C#N)Oc1cccc(CNc2cc(N3CCCC3)[nH+]cn2)c1 ZINC000302920724 456437160 /nfs/dbraw/zinc/43/71/60/456437160.db2.gz ZMUVNHYQEDGUGK-INIZCTEOSA-N 1 2 337.427 3.370 20 30 EGEDLO COc1cccc(OC(F)(F)F)c1C[NH2+]Cc1ccc(C#N)o1 ZINC000353096161 456486700 /nfs/dbraw/zinc/48/67/00/456486700.db2.gz MNUFETQGIAPOJP-UHFFFAOYSA-N 1 2 326.274 3.348 20 30 EGEDLO COCCN(C)c1ccc(/C=C/C(=O)c2ccc(O)c(C)c2)c[nH+]1 ZINC000276659073 456543586 /nfs/dbraw/zinc/54/35/86/456543586.db2.gz QEJFAMMRGHBXDF-QPJJXVBHSA-N 1 2 326.396 3.074 20 30 EGEDLO C=CCc1cc(C(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)cc(OC)c1OC ZINC000276661924 456545688 /nfs/dbraw/zinc/54/56/88/456545688.db2.gz TWLGZYPSOIXYSR-MRXNPFEDSA-N 1 2 343.427 3.283 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)C[C@H]2CCCC[C@H]2O)c1C#N ZINC000305819084 456561872 /nfs/dbraw/zinc/56/18/72/456561872.db2.gz PLLCKJGVVLEEOC-OXQOHEQNSA-N 1 2 338.455 3.035 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)C[C@H]2CCCC[C@H]2O)c1C#N ZINC000305819084 456561873 /nfs/dbraw/zinc/56/18/73/456561873.db2.gz PLLCKJGVVLEEOC-OXQOHEQNSA-N 1 2 338.455 3.035 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000299111924 456608030 /nfs/dbraw/zinc/60/80/30/456608030.db2.gz VGTVCVIQBBJRFL-UHFFFAOYSA-N 1 2 328.412 3.341 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)CC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000299111924 456608037 /nfs/dbraw/zinc/60/80/37/456608037.db2.gz VGTVCVIQBBJRFL-UHFFFAOYSA-N 1 2 328.412 3.341 20 30 EGEDLO Cc1noc(C)c1C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348307867 456611756 /nfs/dbraw/zinc/61/17/56/456611756.db2.gz QNTYWWGYDPCTGY-GOSISDBHSA-N 1 2 344.846 3.327 20 30 EGEDLO CCc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cn1 ZINC000348401575 456666492 /nfs/dbraw/zinc/66/64/92/456666492.db2.gz DCKHPRLONPQJDV-UHFFFAOYSA-N 1 2 340.858 3.491 20 30 EGEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000353472562 456701513 /nfs/dbraw/zinc/70/15/13/456701513.db2.gz OSVHRSLUFSXMKH-KSSFIOAISA-N 1 2 333.863 3.485 20 30 EGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CCOc2ccccc2F)CC1 ZINC000348511414 456723252 /nfs/dbraw/zinc/72/32/52/456723252.db2.gz OISCTBPAPGKWSD-IBGZPJMESA-N 1 2 339.414 3.087 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(-c3cccs3)s2)C1=O ZINC000343598968 456732909 /nfs/dbraw/zinc/73/29/09/456732909.db2.gz GIKJJWSOSDBKMH-ZDUSSCGKSA-N 1 2 333.482 3.090 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(-c3cccs3)s2)C1=O ZINC000343598968 456732913 /nfs/dbraw/zinc/73/29/13/456732913.db2.gz GIKJJWSOSDBKMH-ZDUSSCGKSA-N 1 2 333.482 3.090 20 30 EGEDLO N#Cc1ccc(NC(=O)NCCCCNc2cccc[nH+]2)cc1F ZINC000353524134 456734624 /nfs/dbraw/zinc/73/46/24/456734624.db2.gz RVKMMMOAAJNTDU-UHFFFAOYSA-N 1 2 327.363 3.106 20 30 EGEDLO Cc1cc(C)c(CCNC(=O)C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)c(C)c1 ZINC000328692953 456738349 /nfs/dbraw/zinc/73/83/49/456738349.db2.gz CIUXZGNJNCYAKI-QZTJIDSGSA-N 1 2 343.471 3.162 20 30 EGEDLO Cc1cc(C)c(CCNC(=O)C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)c(C)c1 ZINC000328692953 456738355 /nfs/dbraw/zinc/73/83/55/456738355.db2.gz CIUXZGNJNCYAKI-QZTJIDSGSA-N 1 2 343.471 3.162 20 30 EGEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1CC(=O)NC1CCCC1)CCCC2 ZINC000328956078 456800555 /nfs/dbraw/zinc/80/05/55/456800555.db2.gz OYUSKNOQQBOHHX-KRWDZBQOSA-N 1 2 330.476 3.335 20 30 EGEDLO CC(=O)N1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2C)CC12CCCCC2 ZINC000329024241 456816929 /nfs/dbraw/zinc/81/69/29/456816929.db2.gz JAKYWJPKHUCTGB-SJLPKXTDSA-N 1 2 349.519 3.389 20 30 EGEDLO CC(=O)N1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2C)CC12CCCCC2 ZINC000329024241 456816933 /nfs/dbraw/zinc/81/69/33/456816933.db2.gz JAKYWJPKHUCTGB-SJLPKXTDSA-N 1 2 349.519 3.389 20 30 EGEDLO CC(=O)N1CC[N@H+](CC(=O)NCC2CCCCC2)CC12CCCCC2 ZINC000329034760 456818276 /nfs/dbraw/zinc/81/82/76/456818276.db2.gz MMTSJBISFUBYRG-UHFFFAOYSA-N 1 2 349.519 3.390 20 30 EGEDLO CC(=O)N1CC[N@@H+](CC(=O)NCC2CCCCC2)CC12CCCCC2 ZINC000329034760 456818280 /nfs/dbraw/zinc/81/82/80/456818280.db2.gz MMTSJBISFUBYRG-UHFFFAOYSA-N 1 2 349.519 3.390 20 30 EGEDLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329034456 456818629 /nfs/dbraw/zinc/81/86/29/456818629.db2.gz BXPSSXCPNXOLCU-ABSDTBQOSA-N 1 2 346.471 3.282 20 30 EGEDLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329034456 456818635 /nfs/dbraw/zinc/81/86/35/456818635.db2.gz BXPSSXCPNXOLCU-ABSDTBQOSA-N 1 2 346.471 3.282 20 30 EGEDLO N#Cc1cc(F)ccc1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000301203959 456822271 /nfs/dbraw/zinc/82/22/71/456822271.db2.gz OXIGCLIVROHQAS-IBGZPJMESA-N 1 2 325.387 3.183 20 30 EGEDLO COc1nc2ccc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)cc2s1 ZINC000329095557 456833810 /nfs/dbraw/zinc/83/38/10/456833810.db2.gz KWNATVMFBYSJNJ-JTQLQIEISA-N 1 2 328.397 3.352 20 30 EGEDLO COC(=O)c1coc(C(=O)/C=C/c2ccc(N(C)C(C)C)[nH+]c2)c1 ZINC000277538286 456855999 /nfs/dbraw/zinc/85/59/99/456855999.db2.gz GRZINUPGDCTKAH-FNORWQNLSA-N 1 2 328.368 3.202 20 30 EGEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2[C@H](C)[C@H](OC)C2(C)C)C1 ZINC000329281517 456865851 /nfs/dbraw/zinc/86/58/51/456865851.db2.gz NHGSFGRIRSIBIT-ABFRBSLYSA-N 1 2 348.491 3.056 20 30 EGEDLO O=C(CN1CCn2cc[nH+]c2C1)NCC1(c2ccccc2)CCCC1 ZINC000329355192 456878169 /nfs/dbraw/zinc/87/81/69/456878169.db2.gz VPPNOLYCABGBNB-UHFFFAOYSA-N 1 2 338.455 3.167 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1cccc3c[nH]nc31)C2 ZINC000329374488 456881181 /nfs/dbraw/zinc/88/11/81/456881181.db2.gz KKFSOMVOJMMHBC-ZDUSSCGKSA-N 1 2 337.427 3.377 20 30 EGEDLO CC[N@@H+]1CCOC[C@H]1C(=O)NCc1cc(C)cc2c(C)c(C)[nH]c21 ZINC000329379902 456882103 /nfs/dbraw/zinc/88/21/03/456882103.db2.gz NEOZXVRMFVOKDK-KRWDZBQOSA-N 1 2 329.444 3.270 20 30 EGEDLO CC[N@H+]1CCOC[C@H]1C(=O)NCc1cc(C)cc2c(C)c(C)[nH]c21 ZINC000329379902 456882108 /nfs/dbraw/zinc/88/21/08/456882108.db2.gz NEOZXVRMFVOKDK-KRWDZBQOSA-N 1 2 329.444 3.270 20 30 EGEDLO CC(C)(C)[C@@H]1C[C@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CCO1 ZINC000329591017 456913086 /nfs/dbraw/zinc/91/30/86/456913086.db2.gz ZTLOPQUXFYIDJE-OIISXLGYSA-N 1 2 338.492 3.180 20 30 EGEDLO CC(C)(C)[C@@H]1C[C@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CCO1 ZINC000329591017 456913091 /nfs/dbraw/zinc/91/30/91/456913091.db2.gz ZTLOPQUXFYIDJE-OIISXLGYSA-N 1 2 338.492 3.180 20 30 EGEDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)NC[C@@H]1CCCCS1 ZINC000329667107 456924527 /nfs/dbraw/zinc/92/45/27/456924527.db2.gz RKHSCUODKRCBKX-INIZCTEOSA-N 1 2 348.516 3.361 20 30 EGEDLO CCc1cccc(F)c1C[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000353830911 456927293 /nfs/dbraw/zinc/92/72/93/456927293.db2.gz YRYQVLSOZNAWFT-BTYIYWSLSA-N 1 2 349.409 3.234 20 30 EGEDLO CCc1cccc(F)c1C[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000353830911 456927296 /nfs/dbraw/zinc/92/72/96/456927296.db2.gz YRYQVLSOZNAWFT-BTYIYWSLSA-N 1 2 349.409 3.234 20 30 EGEDLO [O-]C(NC[C@H]1CCCC[C@H]1C(F)(F)F)=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329736936 456933293 /nfs/dbraw/zinc/93/32/93/456933293.db2.gz STZVVUFKHVCMBA-IJLUTSLNSA-N 1 2 344.381 3.139 20 30 EGEDLO [O-]C(NC[C@H]1CCCC[C@H]1C(F)(F)F)=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329736936 456933300 /nfs/dbraw/zinc/93/33/00/456933300.db2.gz STZVVUFKHVCMBA-IJLUTSLNSA-N 1 2 344.381 3.139 20 30 EGEDLO [O-]C(NC[C@H]1CCCC[C@H]1C(F)(F)F)=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329736934 456933833 /nfs/dbraw/zinc/93/38/33/456933833.db2.gz STZVVUFKHVCMBA-GRYCIOLGSA-N 1 2 344.381 3.139 20 30 EGEDLO [O-]C(NC[C@H]1CCCC[C@H]1C(F)(F)F)=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329736934 456933838 /nfs/dbraw/zinc/93/38/38/456933838.db2.gz STZVVUFKHVCMBA-GRYCIOLGSA-N 1 2 344.381 3.139 20 30 EGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NCC[C@@H]1CCO[C@H](C)C1)C2 ZINC000329758651 456936588 /nfs/dbraw/zinc/93/65/88/456936588.db2.gz NWUPNELPNQOZQG-HUUCEWRRSA-N 1 2 348.491 3.021 20 30 EGEDLO CC(C)O[C@@H]1C[C@H](NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C1(C)C ZINC000329848366 456950102 /nfs/dbraw/zinc/95/01/02/456950102.db2.gz NFGCYMAAJHCARG-VVLHAWIVSA-N 1 2 348.491 3.272 20 30 EGEDLO CC(C)O[C@@H]1C[C@H]([NH+]=C([O-])N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C1(C)C ZINC000329848366 456950107 /nfs/dbraw/zinc/95/01/07/456950107.db2.gz NFGCYMAAJHCARG-VVLHAWIVSA-N 1 2 348.491 3.272 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])N1CCCC3(CC3)C1)C2 ZINC000329933970 456962920 /nfs/dbraw/zinc/96/29/20/456962920.db2.gz QHPREZRWRNMEBR-CQSZACIVSA-N 1 2 330.476 3.285 20 30 EGEDLO CCN1CCN(C(=O)NCC(C)(C)C2CCCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329986508 456970692 /nfs/dbraw/zinc/97/06/92/456970692.db2.gz FIIIBUNTIHKDRQ-INIZCTEOSA-N 1 2 347.507 3.219 20 30 EGEDLO C[N@@H+]1CCc2nc(NC(=O)c3coc(C4CCCC4)n3)sc2C1 ZINC000329993540 456971343 /nfs/dbraw/zinc/97/13/43/456971343.db2.gz LLOBGPTUXZVPLI-UHFFFAOYSA-N 1 2 332.429 3.413 20 30 EGEDLO C[N@H+]1CCc2nc(NC(=O)c3coc(C4CCCC4)n3)sc2C1 ZINC000329993540 456971347 /nfs/dbraw/zinc/97/13/47/456971347.db2.gz LLOBGPTUXZVPLI-UHFFFAOYSA-N 1 2 332.429 3.413 20 30 EGEDLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000330025231 456976288 /nfs/dbraw/zinc/97/62/88/456976288.db2.gz KHQAYAHAHBNACL-BFHYXJOUSA-N 1 2 331.460 3.457 20 30 EGEDLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1)c1cccs1 ZINC000330123395 456988291 /nfs/dbraw/zinc/98/82/91/456988291.db2.gz KYAUPPRHJHSRSJ-CPUCHLNUSA-N 1 2 338.473 3.036 20 30 EGEDLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1)c1cccs1 ZINC000330123395 456988294 /nfs/dbraw/zinc/98/82/94/456988294.db2.gz KYAUPPRHJHSRSJ-CPUCHLNUSA-N 1 2 338.473 3.036 20 30 EGEDLO O=C(NC[C@@H]1CCCO1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000330233275 457009274 /nfs/dbraw/zinc/00/92/74/457009274.db2.gz FYGPMOHDGWUSIG-KRWDZBQOSA-N 1 2 340.427 3.391 20 30 EGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NC[C@H]1CCC(F)(F)C1)C2 ZINC000330247992 457011437 /nfs/dbraw/zinc/01/14/37/457011437.db2.gz FXDXQBZWRJNJMU-LBPRGKRZSA-N 1 2 340.418 3.251 20 30 EGEDLO C=CCN(Cc1ccccc1F)C(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339266714 457029241 /nfs/dbraw/zinc/02/92/41/457029241.db2.gz YUMCCOOBNYWUER-PKOBYXMFSA-N 1 2 348.462 3.230 20 30 EGEDLO C=CCN(Cc1ccccc1F)C(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000339266714 457029243 /nfs/dbraw/zinc/02/92/43/457029243.db2.gz YUMCCOOBNYWUER-PKOBYXMFSA-N 1 2 348.462 3.230 20 30 EGEDLO Cc1cccc(C)c1NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330350637 457032934 /nfs/dbraw/zinc/03/29/34/457032934.db2.gz LIJDMIPCCWEGAL-ZBFHGGJFSA-N 1 2 328.416 3.283 20 30 EGEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cccc(SCC#N)c3)n2)C1 ZINC000349845427 457075525 /nfs/dbraw/zinc/07/55/25/457075525.db2.gz BIRWLGCNHFBAMK-OAHLLOKOSA-N 1 2 344.440 3.134 20 30 EGEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cccc(SCC#N)c3)n2)C1 ZINC000349845427 457075531 /nfs/dbraw/zinc/07/55/31/457075531.db2.gz BIRWLGCNHFBAMK-OAHLLOKOSA-N 1 2 344.440 3.134 20 30 EGEDLO C=C(CC)C[N@H+]1CCOC[C@@H]1c1c(C)nn(CC(F)(F)F)c1C ZINC000356616856 457085079 /nfs/dbraw/zinc/08/50/79/457085079.db2.gz WSZNXCHGEMPYGB-CQSZACIVSA-N 1 2 331.382 3.402 20 30 EGEDLO C=C(CC)C[N@@H+]1CCOC[C@@H]1c1c(C)nn(CC(F)(F)F)c1C ZINC000356616856 457085078 /nfs/dbraw/zinc/08/50/78/457085078.db2.gz WSZNXCHGEMPYGB-CQSZACIVSA-N 1 2 331.382 3.402 20 30 EGEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)Nc1cccc(Br)c1 ZINC000330834395 457092070 /nfs/dbraw/zinc/09/20/70/457092070.db2.gz KVVPSXOAZUMTMN-COPLHBTASA-N 1 2 336.233 3.058 20 30 EGEDLO O=C(CCn1c2ccccc2[nH+]c1C1CC1)NCC#Cc1ccccc1 ZINC000354162930 457103012 /nfs/dbraw/zinc/10/30/12/457103012.db2.gz MIBZIBTXAIIKBF-UHFFFAOYSA-N 1 2 343.430 3.472 20 30 EGEDLO N#CCCCOc1cccc(C[NH2+]Cc2ncn(-c3ccccc3)n2)c1 ZINC000339579033 457152771 /nfs/dbraw/zinc/15/27/71/457152771.db2.gz KKCQSIXEDKXZQF-UHFFFAOYSA-N 1 2 347.422 3.240 20 30 EGEDLO Cc1cc(C[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1C#N ZINC000362923597 457157548 /nfs/dbraw/zinc/15/75/48/457157548.db2.gz KSOXYURYYHVIQA-OAHLLOKOSA-N 1 2 342.464 3.463 20 30 EGEDLO Cc1cc(C[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1C#N ZINC000362923597 457157553 /nfs/dbraw/zinc/15/75/53/457157553.db2.gz KSOXYURYYHVIQA-OAHLLOKOSA-N 1 2 342.464 3.463 20 30 EGEDLO C=CC[C@H](CC)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000346945053 457192124 /nfs/dbraw/zinc/19/21/24/457192124.db2.gz MPJBJXBGUXCMBB-KRWDZBQOSA-N 1 2 326.444 3.128 20 30 EGEDLO N#CCCCOc1cccc(C[NH2+]Cc2nccc(C(F)F)n2)c1 ZINC000342252962 457192219 /nfs/dbraw/zinc/19/22/19/457192219.db2.gz RRAVXCAWPRFKHR-UHFFFAOYSA-N 1 2 332.354 3.387 20 30 EGEDLO C=CCCC1(C(=O)NC[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)CC1 ZINC000354538177 457276752 /nfs/dbraw/zinc/27/67/52/457276752.db2.gz GGTZHSGQXKGLCA-IBGZPJMESA-N 1 2 342.483 3.231 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1c(C)cc(C)nc1OC ZINC000347228915 457300091 /nfs/dbraw/zinc/30/00/91/457300091.db2.gz ZLIBTBNYODETJB-UHFFFAOYSA-N 1 2 330.428 3.371 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1c(C)cc(C)nc1OC ZINC000347228915 457300095 /nfs/dbraw/zinc/30/00/95/457300095.db2.gz ZLIBTBNYODETJB-UHFFFAOYSA-N 1 2 330.428 3.371 20 30 EGEDLO N#Cc1cccc(CNc2ccccc2C[NH+]2CCOCC2)c1F ZINC000342461803 457315833 /nfs/dbraw/zinc/31/58/33/457315833.db2.gz WXYTVVFVZUVRII-UHFFFAOYSA-N 1 2 325.387 3.142 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(CC#N)cc1)c1ccc(F)cc1 ZINC000340045670 457324156 /nfs/dbraw/zinc/32/41/56/457324156.db2.gz HDFIOYGYGQTJDH-SFHVURJKSA-N 1 2 348.381 3.145 20 30 EGEDLO C=CCn1c(SCc2c[nH+]cn2C)nnc1-c1ccccc1OC ZINC000360707217 457326221 /nfs/dbraw/zinc/32/62/21/457326221.db2.gz IAVZPDUXRXGVPC-UHFFFAOYSA-N 1 2 341.440 3.166 20 30 EGEDLO Cc1cc(N[C@@H](C)Cn2cc[nH+]c2)n2c3ccccc3nc2c1C#N ZINC000357123962 457335678 /nfs/dbraw/zinc/33/56/78/457335678.db2.gz DEVCIHOMULMVKO-AWEZNQCLSA-N 1 2 330.395 3.365 20 30 EGEDLO CCOC(=O)c1oc2ccccc2c1C[NH+]1CCC(F)(C#N)CC1 ZINC000352448979 457376702 /nfs/dbraw/zinc/37/67/02/457376702.db2.gz KBHVVPIVPIGREY-UHFFFAOYSA-N 1 2 330.359 3.437 20 30 EGEDLO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000352459092 457384892 /nfs/dbraw/zinc/38/48/92/457384892.db2.gz TUZCLSDJSDVFOY-HUUCEWRRSA-N 1 2 331.435 3.142 20 30 EGEDLO N#CC1(F)CC[NH+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)CC1 ZINC000352467342 457390720 /nfs/dbraw/zinc/39/07/20/457390720.db2.gz JJZOLJJGVDCHLV-UHFFFAOYSA-N 1 2 342.393 3.328 20 30 EGEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](C#N)c1ccccc1F)C2 ZINC000355606686 457395093 /nfs/dbraw/zinc/39/50/93/457395093.db2.gz LPRBHNYXCVGBTB-SJCJKPOMSA-N 1 2 340.402 3.158 20 30 EGEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](C#N)c1ccccc1F)CC2 ZINC000355606686 457395102 /nfs/dbraw/zinc/39/51/02/457395102.db2.gz LPRBHNYXCVGBTB-SJCJKPOMSA-N 1 2 340.402 3.158 20 30 EGEDLO C=CCC(C)(C)CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000352496695 457414759 /nfs/dbraw/zinc/41/47/59/457414759.db2.gz YLADMAGWXKVMPB-KRWDZBQOSA-N 1 2 332.513 3.495 20 30 EGEDLO C=CCSCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000357280120 457418647 /nfs/dbraw/zinc/41/86/47/457418647.db2.gz ZZKUXYSXWLBMIB-QGZVFWFLSA-N 1 2 336.476 3.216 20 30 EGEDLO C=CCSCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000357280120 457418656 /nfs/dbraw/zinc/41/86/56/457418656.db2.gz ZZKUXYSXWLBMIB-QGZVFWFLSA-N 1 2 336.476 3.216 20 30 EGEDLO N#C[C@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1c1ccccc1 ZINC000355876958 457425550 /nfs/dbraw/zinc/42/55/50/457425550.db2.gz BXECGJDWYVZGAE-ICSRJNTNSA-N 1 2 342.402 3.252 20 30 EGEDLO COc1c(C)c[nH+]c(CN(C)c2c(C#N)cccc2[N+](=O)[O-])c1C ZINC000425221762 457463205 /nfs/dbraw/zinc/46/32/05/457463205.db2.gz KJXKHHXQMGHWDW-UHFFFAOYSA-N 1 2 326.356 3.123 20 30 EGEDLO C=CCOc1ccccc1C[NH2+]Cc1nn(C)cc1Br ZINC000393352029 457464411 /nfs/dbraw/zinc/46/44/11/457464411.db2.gz YDALNJJREVNJJX-UHFFFAOYSA-N 1 2 336.233 3.037 20 30 EGEDLO Cc1cc(N2C[C@@H]3CCC[C@@]3(C(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000425253134 457472890 /nfs/dbraw/zinc/47/28/90/457472890.db2.gz CFIJOWURJPXMNZ-HNAYVOBHSA-N 1 2 327.428 3.210 20 30 EGEDLO CCC(CC)CN(CCC#N)C(=O)[C@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000352638473 457496563 /nfs/dbraw/zinc/49/65/63/457496563.db2.gz UYCHZWHICLQTEN-AEFFLSMTSA-N 1 2 342.487 3.332 20 30 EGEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCO[C@H](c3ccc(Cl)s3)C2)cc1 ZINC000364437402 457603665 /nfs/dbraw/zinc/60/36/65/457603665.db2.gz LOMGLMZUSIXDPH-CABCVRRESA-N 1 2 348.855 3.380 20 30 EGEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCO[C@H](c3ccc(Cl)s3)C2)cc1 ZINC000364437402 457603669 /nfs/dbraw/zinc/60/36/69/457603669.db2.gz LOMGLMZUSIXDPH-CABCVRRESA-N 1 2 348.855 3.380 20 30 EGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2nc3ccc(F)cc3o2)CC1 ZINC000370293083 457610899 /nfs/dbraw/zinc/61/08/99/457610899.db2.gz BUMSIJJTMXJKLZ-UHFFFAOYSA-N 1 2 336.370 3.419 20 30 EGEDLO C[C@@H]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000356435956 457624193 /nfs/dbraw/zinc/62/41/93/457624193.db2.gz YLXURCIZBKUXOS-NZSAHSFTSA-N 1 2 336.439 3.380 20 30 EGEDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000357709032 457664955 /nfs/dbraw/zinc/66/49/55/457664955.db2.gz PUEZQXPGSUUONI-LJQANCHMSA-N 1 2 338.407 3.173 20 30 EGEDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000357709032 457664956 /nfs/dbraw/zinc/66/49/56/457664956.db2.gz PUEZQXPGSUUONI-LJQANCHMSA-N 1 2 338.407 3.173 20 30 EGEDLO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+](C)CC(C)(C)C#N ZINC000433317190 457808647 /nfs/dbraw/zinc/80/86/47/457808647.db2.gz KTQLPZHMYVBBPH-LBPRGKRZSA-N 1 2 339.842 3.308 20 30 EGEDLO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+](C)CC(C)(C)C#N ZINC000433317190 457808654 /nfs/dbraw/zinc/80/86/54/457808654.db2.gz KTQLPZHMYVBBPH-LBPRGKRZSA-N 1 2 339.842 3.308 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000361849591 457906947 /nfs/dbraw/zinc/90/69/47/457906947.db2.gz NKUKHDUSHMEBJZ-UGSOOPFHSA-N 1 2 333.863 3.141 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000361849591 457906953 /nfs/dbraw/zinc/90/69/53/457906953.db2.gz NKUKHDUSHMEBJZ-UGSOOPFHSA-N 1 2 333.863 3.141 20 30 EGEDLO C=CCOc1ccc(C[N@H+](C)Cc2cn3c(n2)CCCC3)cc1OC ZINC000375403384 457916522 /nfs/dbraw/zinc/91/65/22/457916522.db2.gz JTXCZHYZJTUJEO-UHFFFAOYSA-N 1 2 341.455 3.425 20 30 EGEDLO C=CCOc1ccc(C[N@@H+](C)Cc2cn3c(n2)CCCC3)cc1OC ZINC000375403384 457916530 /nfs/dbraw/zinc/91/65/30/457916530.db2.gz JTXCZHYZJTUJEO-UHFFFAOYSA-N 1 2 341.455 3.425 20 30 EGEDLO C=CCOc1ccc(CN(C)Cc2cn3c([nH+]2)CCCC3)cc1OC ZINC000375403384 457916537 /nfs/dbraw/zinc/91/65/37/457916537.db2.gz JTXCZHYZJTUJEO-UHFFFAOYSA-N 1 2 341.455 3.425 20 30 EGEDLO C=CC[N@H+](C[C@@H]1CCCCO1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000444685438 457939375 /nfs/dbraw/zinc/93/93/75/457939375.db2.gz RPSQDWYBCMLEMN-RBUKOAKNSA-N 1 2 331.456 3.218 20 30 EGEDLO C=CC[N@@H+](C[C@@H]1CCCCO1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000444685438 457939381 /nfs/dbraw/zinc/93/93/81/457939381.db2.gz RPSQDWYBCMLEMN-RBUKOAKNSA-N 1 2 331.456 3.218 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444708779 457951846 /nfs/dbraw/zinc/95/18/46/457951846.db2.gz PHFAZELXRMDGGI-GFCCVEGCSA-N 1 2 329.350 3.295 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444708779 457951852 /nfs/dbraw/zinc/95/18/52/457951852.db2.gz PHFAZELXRMDGGI-GFCCVEGCSA-N 1 2 329.350 3.295 20 30 EGEDLO C#CC[C@@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000375749168 458047411 /nfs/dbraw/zinc/04/74/11/458047411.db2.gz MRSAPURZUUUJRJ-RTBURBONSA-N 1 2 335.407 3.009 20 30 EGEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000369148461 458101841 /nfs/dbraw/zinc/10/18/41/458101841.db2.gz UDHKNAGMTIDZTM-KRWDZBQOSA-N 1 2 336.439 3.265 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000369229017 458134053 /nfs/dbraw/zinc/13/40/53/458134053.db2.gz HTZNMIQRJSASNY-GUYCJALGSA-N 1 2 335.398 3.110 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000369229017 458134060 /nfs/dbraw/zinc/13/40/60/458134060.db2.gz HTZNMIQRJSASNY-GUYCJALGSA-N 1 2 335.398 3.110 20 30 EGEDLO CCc1nc([C@H]2CCCC[N@@H+]2CCOc2ccc(C#N)cc2)no1 ZINC000369236056 458137746 /nfs/dbraw/zinc/13/77/46/458137746.db2.gz LSWBBOZNHHLTQP-MRXNPFEDSA-N 1 2 326.400 3.110 20 30 EGEDLO CCc1nc([C@H]2CCCC[N@H+]2CCOc2ccc(C#N)cc2)no1 ZINC000369236056 458137749 /nfs/dbraw/zinc/13/77/49/458137749.db2.gz LSWBBOZNHHLTQP-MRXNPFEDSA-N 1 2 326.400 3.110 20 30 EGEDLO C=CCSc1ccccc1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000362406655 458158630 /nfs/dbraw/zinc/15/86/30/458158630.db2.gz YZAGTJQQGUVSLT-AWEZNQCLSA-N 1 2 327.453 3.328 20 30 EGEDLO CN(C(=O)NCC(C)(C)CCC#N)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000458759535 458162204 /nfs/dbraw/zinc/16/22/04/458162204.db2.gz GNTOMDOJWGJLFT-MRXNPFEDSA-N 1 2 339.443 3.470 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000362424681 458168812 /nfs/dbraw/zinc/16/88/12/458168812.db2.gz LBWUHCBITHUTDJ-UHFFFAOYSA-N 1 2 348.431 3.219 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000362424681 458168820 /nfs/dbraw/zinc/16/88/20/458168820.db2.gz LBWUHCBITHUTDJ-UHFFFAOYSA-N 1 2 348.431 3.219 20 30 EGEDLO CN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000362438929 458177023 /nfs/dbraw/zinc/17/70/23/458177023.db2.gz NKFUOGAPOFGCFF-LEWJYISDSA-N 1 2 347.462 3.417 20 30 EGEDLO CN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000362438929 458177026 /nfs/dbraw/zinc/17/70/26/458177026.db2.gz NKFUOGAPOFGCFF-LEWJYISDSA-N 1 2 347.462 3.417 20 30 EGEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(=Cc3ccccc3F)CC2)cc1 ZINC000362482786 458208707 /nfs/dbraw/zinc/20/87/07/458208707.db2.gz FFSMOPSEOWUODZ-FQEVSTJZSA-N 1 2 349.409 3.403 20 30 EGEDLO C[C@H]1COCC[N@@H+]1CCSc1nc(-c2ccccc2)ccc1C#N ZINC000412997264 458290634 /nfs/dbraw/zinc/29/06/34/458290634.db2.gz VOJVLHBRQWMUDO-HNNXBMFYSA-N 1 2 339.464 3.433 20 30 EGEDLO C[C@H]1COCC[N@H+]1CCSc1nc(-c2ccccc2)ccc1C#N ZINC000412997264 458290639 /nfs/dbraw/zinc/29/06/39/458290639.db2.gz VOJVLHBRQWMUDO-HNNXBMFYSA-N 1 2 339.464 3.433 20 30 EGEDLO C=CCOc1ccccc1C[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC000414082579 458314303 /nfs/dbraw/zinc/31/43/03/458314303.db2.gz FQXVEQJAROPVSB-GFCCVEGCSA-N 1 2 332.425 3.345 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCCCNc1cccc[nH+]1 ZINC000416684593 458352879 /nfs/dbraw/zinc/35/28/79/458352879.db2.gz LKDATSNHKAXUKK-SFHVURJKSA-N 1 2 349.438 3.132 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)[C@H]1CCN(c2ccccc2OC)C1=O ZINC000447855373 458357384 /nfs/dbraw/zinc/35/73/84/458357384.db2.gz QYHNWSWXRQLWEE-SFHVURJKSA-N 1 2 343.471 3.452 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)[C@H]1CCN(c2ccccc2OC)C1=O ZINC000447855373 458357390 /nfs/dbraw/zinc/35/73/90/458357390.db2.gz QYHNWSWXRQLWEE-SFHVURJKSA-N 1 2 343.471 3.452 20 30 EGEDLO C=CC[N@@H+](CCOC)Cc1ccc(F)cc1I ZINC000418032253 458370525 /nfs/dbraw/zinc/37/05/25/458370525.db2.gz MFFPKLNJYMQVSZ-UHFFFAOYSA-N 1 2 349.187 3.065 20 30 EGEDLO C=CC[N@H+](CCOC)Cc1ccc(F)cc1I ZINC000418032253 458370528 /nfs/dbraw/zinc/37/05/28/458370528.db2.gz MFFPKLNJYMQVSZ-UHFFFAOYSA-N 1 2 349.187 3.065 20 30 EGEDLO N#Cc1cc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c[nH]1 ZINC000376824503 458398189 /nfs/dbraw/zinc/39/81/89/458398189.db2.gz XAQZJNSIDZISPF-UHFFFAOYSA-N 1 2 329.363 3.054 20 30 EGEDLO Cc1cc(CNC(=O)Nc2ncccc2OCCCC#N)cc(C)[nH+]1 ZINC000421090582 458406866 /nfs/dbraw/zinc/40/68/66/458406866.db2.gz FWUWOKKEAKANMC-UHFFFAOYSA-N 1 2 339.399 3.098 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000376939078 458425718 /nfs/dbraw/zinc/42/57/18/458425718.db2.gz IJWIIFHUNHAXRV-QGZVFWFLSA-N 1 2 331.847 3.189 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000376939078 458425723 /nfs/dbraw/zinc/42/57/23/458425723.db2.gz IJWIIFHUNHAXRV-QGZVFWFLSA-N 1 2 331.847 3.189 20 30 EGEDLO CCOC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000459705401 458452946 /nfs/dbraw/zinc/45/29/46/458452946.db2.gz IFBOWIMAGPCKLX-HNNXBMFYSA-N 1 2 347.484 3.132 20 30 EGEDLO CCOC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000459705401 458452951 /nfs/dbraw/zinc/45/29/51/458452951.db2.gz IFBOWIMAGPCKLX-HNNXBMFYSA-N 1 2 347.484 3.132 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3ncccn3)C2)CCCCC1 ZINC000450914288 458459549 /nfs/dbraw/zinc/45/95/49/458459549.db2.gz PLBSYTJLFXPEPQ-QGZVFWFLSA-N 1 2 342.487 3.036 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ncccn3)C2)CCCCC1 ZINC000450914288 458459553 /nfs/dbraw/zinc/45/95/53/458459553.db2.gz PLBSYTJLFXPEPQ-QGZVFWFLSA-N 1 2 342.487 3.036 20 30 EGEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000437620530 458476070 /nfs/dbraw/zinc/47/60/70/458476070.db2.gz AYHDQSQKXSNRBU-PKOBYXMFSA-N 1 2 345.487 3.183 20 30 EGEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000437620530 458476071 /nfs/dbraw/zinc/47/60/71/458476071.db2.gz AYHDQSQKXSNRBU-PKOBYXMFSA-N 1 2 345.487 3.183 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1COC ZINC000452033014 458493110 /nfs/dbraw/zinc/49/31/10/458493110.db2.gz YHRAEOSOPQSLTL-OAHLLOKOSA-N 1 2 334.485 3.404 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1COC ZINC000452033014 458493114 /nfs/dbraw/zinc/49/31/14/458493114.db2.gz YHRAEOSOPQSLTL-OAHLLOKOSA-N 1 2 334.485 3.404 20 30 EGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000377805872 458534931 /nfs/dbraw/zinc/53/49/31/458534931.db2.gz YXBZTGGJRVIWKP-MRXNPFEDSA-N 1 2 325.412 3.053 20 30 EGEDLO C=C(C)[C@@H](NC(=O)NCc1c[nH+]ccc1OC)c1ccc(F)c(F)c1 ZINC000431465933 458577014 /nfs/dbraw/zinc/57/70/14/458577014.db2.gz QNZABDCCSBVSNS-QGZVFWFLSA-N 1 2 347.365 3.485 20 30 EGEDLO COc1cc[nH+]c(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1OC ZINC000373710168 458580498 /nfs/dbraw/zinc/58/04/98/458580498.db2.gz CZMZVUYSMIATIJ-FUHWJXTLSA-N 1 2 337.423 3.371 20 30 EGEDLO COc1ccnc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1OC ZINC000373710168 458580502 /nfs/dbraw/zinc/58/05/02/458580502.db2.gz CZMZVUYSMIATIJ-FUHWJXTLSA-N 1 2 337.423 3.371 20 30 EGEDLO COc1ccnc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1OC ZINC000373710168 458580506 /nfs/dbraw/zinc/58/05/06/458580506.db2.gz CZMZVUYSMIATIJ-FUHWJXTLSA-N 1 2 337.423 3.371 20 30 EGEDLO C=CC(C)(C)CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000455372587 458595967 /nfs/dbraw/zinc/59/59/67/458595967.db2.gz VMDCMLAARBDNCF-HNNXBMFYSA-N 1 2 330.407 3.160 20 30 EGEDLO C=C(CC)CNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000455524839 458602268 /nfs/dbraw/zinc/60/22/68/458602268.db2.gz QHQFYZWFQIPCLF-UHFFFAOYSA-N 1 2 330.476 3.296 20 30 EGEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000455914312 458621765 /nfs/dbraw/zinc/62/17/65/458621765.db2.gz GBDGNGDTRHCANV-MRXNPFEDSA-N 1 2 349.438 3.058 20 30 EGEDLO Cc1cc(C#N)cc(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1 ZINC000455963473 458625115 /nfs/dbraw/zinc/62/51/15/458625115.db2.gz BPLBSSHLKPWREM-INIZCTEOSA-N 1 2 349.438 3.172 20 30 EGEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000472349911 458789329 /nfs/dbraw/zinc/78/93/29/458789329.db2.gz OTCIHVVOTJXRTN-MSOLQXFVSA-N 1 2 338.455 3.032 20 30 EGEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1cn2ccccc2c1C#N ZINC000472349911 458789332 /nfs/dbraw/zinc/78/93/32/458789332.db2.gz OTCIHVVOTJXRTN-MSOLQXFVSA-N 1 2 338.455 3.032 20 30 EGEDLO C=CCCCCNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000472793606 458809044 /nfs/dbraw/zinc/80/90/44/458809044.db2.gz WAVRRJFWCQOPTQ-OAHLLOKOSA-N 1 2 325.403 3.223 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3ccccn3)o2)c1 ZINC000530963178 458852071 /nfs/dbraw/zinc/85/20/71/458852071.db2.gz WWPWEMSHJOONKH-KRWDZBQOSA-N 1 2 331.379 3.340 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H]3c3ccccn3)o2)c1 ZINC000530963178 458852079 /nfs/dbraw/zinc/85/20/79/458852079.db2.gz WWPWEMSHJOONKH-KRWDZBQOSA-N 1 2 331.379 3.340 20 30 EGEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000550141977 458885626 /nfs/dbraw/zinc/88/56/26/458885626.db2.gz QRZVABJBEWFFQQ-AWEZNQCLSA-N 1 2 327.453 3.401 20 30 EGEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000550141977 458885632 /nfs/dbraw/zinc/88/56/32/458885632.db2.gz QRZVABJBEWFFQQ-AWEZNQCLSA-N 1 2 327.453 3.401 20 30 EGEDLO C=CC[C@@H](C)NC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000441165097 458895225 /nfs/dbraw/zinc/89/52/25/458895225.db2.gz FXRADVFGEMMVSN-IAGOWNOFSA-N 1 2 345.487 3.266 20 30 EGEDLO C=CC[C@@H](C)NC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000441165097 458895230 /nfs/dbraw/zinc/89/52/30/458895230.db2.gz FXRADVFGEMMVSN-IAGOWNOFSA-N 1 2 345.487 3.266 20 30 EGEDLO CC[C@H](CC#N)[NH2+]Cc1csc(-c2cccc(C(=O)OC)c2)n1 ZINC000566569802 458962011 /nfs/dbraw/zinc/96/20/11/458962011.db2.gz FERXQHMUUDKAJC-CQSZACIVSA-N 1 2 329.425 3.379 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+](CC(=C)C)Cc1cnn(C(C)C)c1 ZINC000567186247 459060710 /nfs/dbraw/zinc/06/07/10/459060710.db2.gz QQNZYJZYHVEPOC-UHFFFAOYSA-N 1 2 332.492 3.267 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CC(=C)C)Cc1cnn(C(C)C)c1 ZINC000567186247 459060719 /nfs/dbraw/zinc/06/07/19/459060719.db2.gz QQNZYJZYHVEPOC-UHFFFAOYSA-N 1 2 332.492 3.267 20 30 EGEDLO Cc1cc(N2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c(C#N)c[nH+]1 ZINC000577723735 459083196 /nfs/dbraw/zinc/08/31/96/459083196.db2.gz MLDMHCWXLDHACS-OXQOHEQNSA-N 1 2 349.438 3.155 20 30 EGEDLO C=C1CC[NH+](CC(=O)Nc2ccnn2Cc2ccccc2Cl)CC1 ZINC000557552774 459084162 /nfs/dbraw/zinc/08/41/62/459084162.db2.gz KPVBYWURKUSGSL-UHFFFAOYSA-N 1 2 344.846 3.175 20 30 EGEDLO Cc1cc(N2CCC3(CN(C(=O)OC(C)(C)C)C3)CC2)c(C#N)c[nH+]1 ZINC000496144243 459086003 /nfs/dbraw/zinc/08/60/03/459086003.db2.gz VZKMFAWDFQXFOW-UHFFFAOYSA-N 1 2 342.443 3.099 20 30 EGEDLO Cc1ccc2[nH+]c(Cn3cc(CC4(C#N)CCCCC4)nn3)cn2c1 ZINC000594648310 459119326 /nfs/dbraw/zinc/11/93/26/459119326.db2.gz WQVHMTSSLKSSQX-UHFFFAOYSA-N 1 2 334.427 3.299 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)CCC2 ZINC000533096911 459188212 /nfs/dbraw/zinc/18/82/12/459188212.db2.gz NTLXPXAZVYQERA-PBHICJAKSA-N 1 2 337.427 3.001 20 30 EGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000580285348 459259111 /nfs/dbraw/zinc/25/91/11/459259111.db2.gz ANJSTLYMVNCBRK-WMLDXEAASA-N 1 2 340.427 3.295 20 30 EGEDLO Cc1ccc[nH+]c1CCc1noc([C@H](C#N)Cc2ccc(C#N)cc2)n1 ZINC000581113948 459268557 /nfs/dbraw/zinc/26/85/57/459268557.db2.gz SJKJRUKPYWYRGB-KRWDZBQOSA-N 1 2 343.390 3.280 20 30 EGEDLO Cc1[nH+]c2cc(CNC(=O)c3cc(O)cc(C#N)c3)ccc2n1C1CC1 ZINC000591080526 459307842 /nfs/dbraw/zinc/30/78/42/459307842.db2.gz PGGMCPGULIOOIN-UHFFFAOYSA-N 1 2 346.390 3.187 20 30 EGEDLO C=CCOC[C@@H]([NH2+][C@H](C)C1CCC(C(F)(F)F)CC1)C(=O)OC ZINC000482440737 459308519 /nfs/dbraw/zinc/30/85/19/459308519.db2.gz RGXYYKOKVPKVDU-BLYZHGLHSA-N 1 2 337.382 3.077 20 30 EGEDLO C=CCc1cc(C(=O)Nc2cc(C)[nH+]cc2C)cc(OC)c1OC ZINC000534299405 459309209 /nfs/dbraw/zinc/30/92/09/459309209.db2.gz LLBPKXSHDQTZDE-UHFFFAOYSA-N 1 2 326.396 3.118 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000582162579 459318120 /nfs/dbraw/zinc/31/81/20/459318120.db2.gz UABSZCHXYMKAOR-QAPCUYQASA-N 1 2 335.407 3.131 20 30 EGEDLO CC(C)(C)CCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000524148956 459347881 /nfs/dbraw/zinc/34/78/81/459347881.db2.gz VCDGLNKXFPZSEE-UHFFFAOYSA-N 1 2 342.487 3.212 20 30 EGEDLO C=CCCC[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000540489126 459382276 /nfs/dbraw/zinc/38/22/76/459382276.db2.gz PFVHNRYTYPKMBA-QGZVFWFLSA-N 1 2 340.471 3.130 20 30 EGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000560848934 459400860 /nfs/dbraw/zinc/40/08/60/459400860.db2.gz JMGVZUYUHVIYSQ-ROUUACIJSA-N 1 2 338.455 3.106 20 30 EGEDLO CN(C(=O)C[N@@H+]1CC[C@H]1c1ccc(F)cc1)C1(C#N)CCCCC1 ZINC000595700634 459404594 /nfs/dbraw/zinc/40/45/94/459404594.db2.gz CTADSPYFYOBFOA-KRWDZBQOSA-N 1 2 329.419 3.257 20 30 EGEDLO CN(C(=O)C[N@H+]1CC[C@H]1c1ccc(F)cc1)C1(C#N)CCCCC1 ZINC000595700634 459404597 /nfs/dbraw/zinc/40/45/97/459404597.db2.gz CTADSPYFYOBFOA-KRWDZBQOSA-N 1 2 329.419 3.257 20 30 EGEDLO COC(=O)[C@H](C)[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CCC1 ZINC000484493109 459417488 /nfs/dbraw/zinc/41/74/88/459417488.db2.gz NFVVHPRUFCXTLA-ZDUSSCGKSA-N 1 2 339.357 3.473 20 30 EGEDLO COC(=O)[C@H](C)[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CCC1 ZINC000484493109 459417493 /nfs/dbraw/zinc/41/74/93/459417493.db2.gz NFVVHPRUFCXTLA-ZDUSSCGKSA-N 1 2 339.357 3.473 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000595784611 459438066 /nfs/dbraw/zinc/43/80/66/459438066.db2.gz SXBZSKXKSZWMTK-RBUKOAKNSA-N 1 2 342.439 3.053 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000562185457 459516189 /nfs/dbraw/zinc/51/61/89/459516189.db2.gz LZKZLEVFARFTIE-UHFFFAOYSA-N 1 2 328.428 3.240 20 30 EGEDLO C=CCn1cccc1C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000488733499 459548872 /nfs/dbraw/zinc/54/88/72/459548872.db2.gz JUTUYPNICBJUMY-UHFFFAOYSA-N 1 2 334.423 3.191 20 30 EGEDLO Cc1cc(NC(=O)NCC2(C#N)CC2)c[nH+]c1N1CCCC[C@@H]1C ZINC000562408868 459556733 /nfs/dbraw/zinc/55/67/33/459556733.db2.gz ZHBXXIAVEFUWHG-AWEZNQCLSA-N 1 2 327.432 3.194 20 30 EGEDLO C=CCn1cccc1C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000489056064 459560101 /nfs/dbraw/zinc/56/01/01/459560101.db2.gz XHHJOIHGNSBWAH-UHFFFAOYSA-N 1 2 338.455 3.235 20 30 EGEDLO Cc1cc(NCC2CC[NH+](CC(F)F)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000596240401 459572414 /nfs/dbraw/zinc/57/24/14/459572414.db2.gz XJPXIFXAJCKQME-UHFFFAOYSA-N 1 2 338.358 3.164 20 30 EGEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000583728964 459586938 /nfs/dbraw/zinc/58/69/38/459586938.db2.gz ZUEMPECSKIYYTP-LBPRGKRZSA-N 1 2 348.468 3.002 20 30 EGEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000583728964 459586940 /nfs/dbraw/zinc/58/69/40/459586940.db2.gz ZUEMPECSKIYYTP-LBPRGKRZSA-N 1 2 348.468 3.002 20 30 EGEDLO C#CC[N@@H+](Cn1nc(-c2ccccn2)n(C)c1=S)C1CCCCC1 ZINC000490804591 459587560 /nfs/dbraw/zinc/58/75/60/459587560.db2.gz YTPGJDAOYFOPIF-UHFFFAOYSA-N 1 2 341.484 3.238 20 30 EGEDLO C#CC[N@H+](Cn1nc(-c2ccccn2)n(C)c1=S)C1CCCCC1 ZINC000490804591 459587566 /nfs/dbraw/zinc/58/75/66/459587566.db2.gz YTPGJDAOYFOPIF-UHFFFAOYSA-N 1 2 341.484 3.238 20 30 EGEDLO Cc1cc(N2CCC[C@@H](CC#N)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596332220 459599544 /nfs/dbraw/zinc/59/95/44/459599544.db2.gz XUNYLBGQCULKPC-AWEZNQCLSA-N 1 2 337.383 3.490 20 30 EGEDLO C#C[C@@H](NC(=O)NCCCCn1cc[nH+]c1)c1ccc(Cl)cc1F ZINC000491147447 459600760 /nfs/dbraw/zinc/60/07/60/459600760.db2.gz RPKOHPAAURZHPO-MRXNPFEDSA-N 1 2 348.809 3.130 20 30 EGEDLO N#CCCC1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000572995729 459608714 /nfs/dbraw/zinc/60/87/14/459608714.db2.gz QLKJRAJMFGATOF-UHFFFAOYSA-N 1 2 337.427 3.098 20 30 EGEDLO C#C[C@H](NC(=O)C1CC[NH+](CC(F)F)CC1)c1ccc(Cl)cc1 ZINC000491316930 459616234 /nfs/dbraw/zinc/61/62/34/459616234.db2.gz YPGPEWLLFLKIKM-HNNXBMFYSA-N 1 2 340.801 3.108 20 30 EGEDLO N#CCOc1ccc(/C=C\C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000491413209 459623793 /nfs/dbraw/zinc/62/37/93/459623793.db2.gz CQWIRCJXVLUQON-SKHCZCESSA-N 1 2 336.395 3.079 20 30 EGEDLO C#C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(Br)cc1 ZINC000491672591 459651343 /nfs/dbraw/zinc/65/13/43/459651343.db2.gz PQXCODQXYBABOC-SWLSCSKDSA-N 1 2 346.228 3.087 20 30 EGEDLO CC1(C)C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@H]1c1cccnc1 ZINC000596591380 459687987 /nfs/dbraw/zinc/68/79/87/459687987.db2.gz IKHKDKWRNSKUBI-MOPGFXCFSA-N 1 2 346.434 3.142 20 30 EGEDLO CC1(C)C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@H]1c1cccnc1 ZINC000596591380 459687989 /nfs/dbraw/zinc/68/79/89/459687989.db2.gz IKHKDKWRNSKUBI-MOPGFXCFSA-N 1 2 346.434 3.142 20 30 EGEDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000492485479 459706855 /nfs/dbraw/zinc/70/68/55/459706855.db2.gz ARAYTGVXZWIJSO-LMVHVUTASA-N 1 2 348.328 3.316 20 30 EGEDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000492485477 459706990 /nfs/dbraw/zinc/70/69/90/459706990.db2.gz ARAYTGVXZWIJSO-AFNCTOJWSA-N 1 2 348.328 3.316 20 30 EGEDLO CC#CCN(C)C(=O)c1cccc(OCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000573717055 459723505 /nfs/dbraw/zinc/72/35/05/459723505.db2.gz SBOQJCSOUPKWSH-UHFFFAOYSA-N 1 2 347.418 3.317 20 30 EGEDLO C[C@H]1C[C@@H]1c1ccc(C[N@H+](Cc2cnc3c(C#N)cnn3c2)C2CC2)o1 ZINC000563154110 459724864 /nfs/dbraw/zinc/72/48/64/459724864.db2.gz GNFVXRJCMJPNJT-UGSOOPFHSA-N 1 2 347.422 3.482 20 30 EGEDLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2cnc3c(C#N)cnn3c2)C2CC2)o1 ZINC000563154110 459724868 /nfs/dbraw/zinc/72/48/68/459724868.db2.gz GNFVXRJCMJPNJT-UGSOOPFHSA-N 1 2 347.422 3.482 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CC1(C#N)CCCCC1)c1ccccc1 ZINC000596697130 459732056 /nfs/dbraw/zinc/73/20/56/459732056.db2.gz QBXDVMCGOAIJCS-SFHVURJKSA-N 1 2 336.439 3.490 20 30 EGEDLO CCC(C#N)(CC)c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000528119703 459799207 /nfs/dbraw/zinc/79/92/07/459799207.db2.gz NJISCNPNYWNEMO-INIZCTEOSA-N 1 2 340.427 3.224 20 30 EGEDLO CCC(C#N)(CC)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000528119703 459799210 /nfs/dbraw/zinc/79/92/10/459799210.db2.gz NJISCNPNYWNEMO-INIZCTEOSA-N 1 2 340.427 3.224 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000574274703 459799697 /nfs/dbraw/zinc/79/96/97/459799697.db2.gz PHLKQOHPLATKJV-CHWSQXEVSA-N 1 2 347.846 3.182 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000574274703 459799702 /nfs/dbraw/zinc/79/97/02/459799702.db2.gz PHLKQOHPLATKJV-CHWSQXEVSA-N 1 2 347.846 3.182 20 30 EGEDLO CCC(C#N)(CC)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000528465073 459808238 /nfs/dbraw/zinc/80/82/38/459808238.db2.gz LNONCPBHBBVDOE-UHFFFAOYSA-N 1 2 328.460 3.408 20 30 EGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](c1nccn1C)C1CC1 ZINC000602451622 459945572 /nfs/dbraw/zinc/94/55/72/459945572.db2.gz BTBRANVVNVDEET-QGZVFWFLSA-N 1 2 326.400 3.468 20 30 EGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](c1nccn1C)C1CC1 ZINC000602451622 459945573 /nfs/dbraw/zinc/94/55/73/459945573.db2.gz BTBRANVVNVDEET-QGZVFWFLSA-N 1 2 326.400 3.468 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1 ZINC000602462533 459951772 /nfs/dbraw/zinc/95/17/72/459951772.db2.gz NITQWUDVAUTJHR-KRWDZBQOSA-N 1 2 345.349 3.128 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1 ZINC000602462533 459951781 /nfs/dbraw/zinc/95/17/81/459951781.db2.gz NITQWUDVAUTJHR-KRWDZBQOSA-N 1 2 345.349 3.128 20 30 EGEDLO N#C[C@H](NC(=O)CCCn1cc[nH+]c1)c1cccc(Cl)c1Cl ZINC000609414174 459960198 /nfs/dbraw/zinc/96/01/98/459960198.db2.gz QQLTYEVFOQUEOQ-ZDUSSCGKSA-N 1 2 337.210 3.351 20 30 EGEDLO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598608019 459960773 /nfs/dbraw/zinc/96/07/73/459960773.db2.gz PXLPZNYWPPLFLX-COXVUDFISA-N 1 2 336.863 3.403 20 30 EGEDLO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598608019 459960781 /nfs/dbraw/zinc/96/07/81/459960781.db2.gz PXLPZNYWPPLFLX-COXVUDFISA-N 1 2 336.863 3.403 20 30 EGEDLO C[C@H](c1ccncc1)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000618326707 459966682 /nfs/dbraw/zinc/96/66/82/459966682.db2.gz HVNCJRRFNMYZBD-CQSZACIVSA-N 1 2 326.831 3.490 20 30 EGEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccns2)CC1 ZINC000602648831 460041824 /nfs/dbraw/zinc/04/18/24/460041824.db2.gz NUWJSHVKTJRDTR-MRXNPFEDSA-N 1 2 332.860 3.179 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000594008988 460054926 /nfs/dbraw/zinc/05/49/26/460054926.db2.gz SQNKXVBYQWYSHR-CQSZACIVSA-N 1 2 343.427 3.339 20 30 EGEDLO COc1ccc(C[N@H+](CC(=O)OC(C)(C)C)C2CCC2)cc1C#N ZINC000594056363 460077080 /nfs/dbraw/zinc/07/70/80/460077080.db2.gz VQDMIUXNQAXVOY-UHFFFAOYSA-N 1 2 330.428 3.263 20 30 EGEDLO COc1ccc(C[N@@H+](CC(=O)OC(C)(C)C)C2CCC2)cc1C#N ZINC000594056363 460077085 /nfs/dbraw/zinc/07/70/85/460077085.db2.gz VQDMIUXNQAXVOY-UHFFFAOYSA-N 1 2 330.428 3.263 20 30 EGEDLO N#Cc1cc(Oc2ccc(NC(=O)CCCn3cc[nH+]c3)cc2)ccn1 ZINC000589542059 460101616 /nfs/dbraw/zinc/10/16/16/460101616.db2.gz SUZIWSKEFIZUQC-UHFFFAOYSA-N 1 2 347.378 3.361 20 30 EGEDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1CC1(CC#N)CC1 ZINC000602793728 460129701 /nfs/dbraw/zinc/12/97/01/460129701.db2.gz JXEFLFXXEMRTSM-MRXNPFEDSA-N 1 2 327.428 3.100 20 30 EGEDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1CC1(CC#N)CC1 ZINC000602793728 460129707 /nfs/dbraw/zinc/12/97/07/460129707.db2.gz JXEFLFXXEMRTSM-MRXNPFEDSA-N 1 2 327.428 3.100 20 30 EGEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000618854443 460198296 /nfs/dbraw/zinc/19/82/96/460198296.db2.gz WVINTBUUMHAQGE-DLBZAZTESA-N 1 2 335.411 3.205 20 30 EGEDLO C=C(C)[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(F)c(F)c1 ZINC000576826264 460220200 /nfs/dbraw/zinc/22/02/00/460220200.db2.gz OCCRZUDNJZKXHF-CXAGYDPISA-N 1 2 331.366 3.157 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000599515610 460266071 /nfs/dbraw/zinc/26/60/71/460266071.db2.gz UYMYHLFQJHYSJS-KXBFYZLASA-N 1 2 349.425 3.199 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000599515610 460266074 /nfs/dbraw/zinc/26/60/74/460266074.db2.gz UYMYHLFQJHYSJS-KXBFYZLASA-N 1 2 349.425 3.199 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c(C#N)c1C ZINC000599514564 460266377 /nfs/dbraw/zinc/26/63/77/460266377.db2.gz YASXANXTWWQDEK-JFGNBEQYSA-N 1 2 339.386 3.318 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c(C#N)c1C ZINC000599514564 460266379 /nfs/dbraw/zinc/26/63/79/460266379.db2.gz YASXANXTWWQDEK-JFGNBEQYSA-N 1 2 339.386 3.318 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000603581089 460323994 /nfs/dbraw/zinc/32/39/94/460323994.db2.gz XFIPOSBVWNSVGJ-UHFFFAOYSA-N 1 2 338.798 3.492 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000603581089 460323997 /nfs/dbraw/zinc/32/39/97/460323997.db2.gz XFIPOSBVWNSVGJ-UHFFFAOYSA-N 1 2 338.798 3.492 20 30 EGEDLO C[C@H](c1ccccc1F)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000603875715 460352735 /nfs/dbraw/zinc/35/27/35/460352735.db2.gz GNFLKHIBPMJTKN-CYBMUJFWSA-N 1 2 340.402 3.446 20 30 EGEDLO CN(CCO)c1ccc(N[C@@H]2CCCCc3cc(C#N)ccc32)[nH+]c1 ZINC000619508634 460371364 /nfs/dbraw/zinc/37/13/64/460371364.db2.gz PZGSTTRNZLCNPW-LJQANCHMSA-N 1 2 336.439 3.261 20 30 EGEDLO C=CCN(Cc1[nH]c(C)c(C)[nH+]1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000600153741 460408577 /nfs/dbraw/zinc/40/85/77/460408577.db2.gz HIYVCIREMZLBNP-GOSISDBHSA-N 1 2 341.455 3.189 20 30 EGEDLO C=CC(C)(C)CNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000653093315 461498544 /nfs/dbraw/zinc/49/85/44/461498544.db2.gz ICNPFSCIGSHNOM-INIZCTEOSA-N 1 2 326.444 3.215 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)[C@@H](C)COC ZINC000661244451 462169262 /nfs/dbraw/zinc/16/92/62/462169262.db2.gz UPNSJFPLQVWWGH-NSHDSACASA-N 1 2 331.243 3.455 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)[C@@H](C)COC ZINC000661244451 462169267 /nfs/dbraw/zinc/16/92/67/462169267.db2.gz UPNSJFPLQVWWGH-NSHDSACASA-N 1 2 331.243 3.455 20 30 EGEDLO C#CCCOc1ccc(CNc2cc(CSCCO)cc[nH+]2)cc1 ZINC000130252974 526745047 /nfs/dbraw/zinc/74/50/47/526745047.db2.gz LFHBCOULHXJMGB-UHFFFAOYSA-N 1 2 342.464 3.321 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@](CC)(CO)C1 ZINC000187613383 527011098 /nfs/dbraw/zinc/01/10/98/527011098.db2.gz WUUWQZDRRNTNKI-IBGZPJMESA-N 1 2 348.512 3.388 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@](CC)(CO)C1 ZINC000187613383 527011105 /nfs/dbraw/zinc/01/11/05/527011105.db2.gz WUUWQZDRRNTNKI-IBGZPJMESA-N 1 2 348.512 3.388 20 30 EGEDLO CC(C)COC[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccco1 ZINC000184197101 528109891 /nfs/dbraw/zinc/10/98/91/528109891.db2.gz GLABSFYOVTYXSQ-AWEZNQCLSA-N 1 2 347.440 3.155 20 30 EGEDLO CC(C)(C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000023057729 535023254 /nfs/dbraw/zinc/02/32/54/535023254.db2.gz YCLGIGRUKXNTRY-UHFFFAOYSA-N 1 2 347.462 3.180 20 30 EGEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)Nc1nc2c(s1)CCCC2 ZINC000328830085 547485506 /nfs/dbraw/zinc/48/55/06/547485506.db2.gz KJLGXKASIGFYOM-UHFFFAOYSA-N 1 2 345.472 3.123 20 30 EGEDLO N#Cc1cc2c(nc1NCc1cc[nH+]c(N3CCCCC3)c1)CCC2 ZINC000329317186 547494990 /nfs/dbraw/zinc/49/49/90/547494990.db2.gz HSQZRPMJNOKCPZ-UHFFFAOYSA-N 1 2 333.439 3.439 20 30 EGEDLO C[N@H+](CCOC(C)(C)C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000676042890 549027686 /nfs/dbraw/zinc/02/76/86/549027686.db2.gz GNUQWOIFTMOLCM-UHFFFAOYSA-N 1 2 341.455 3.485 20 30 EGEDLO C[N@@H+](CCOC(C)(C)C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000676042890 549027690 /nfs/dbraw/zinc/02/76/90/549027690.db2.gz GNUQWOIFTMOLCM-UHFFFAOYSA-N 1 2 341.455 3.485 20 30 EGEDLO C#Cc1cccc(NC(=S)NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000726458984 574556976 /nfs/dbraw/zinc/55/69/76/574556976.db2.gz ULNIZTMLQAOKPA-UHFFFAOYSA-N 1 2 336.464 3.150 20 30 EGEDLO NC(=[NH+]OCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(F)cc1 ZINC000727488072 574670693 /nfs/dbraw/zinc/67/06/93/574670693.db2.gz HOTGUTFXRUSDLS-UHFFFAOYSA-N 1 2 346.749 3.366 20 30 EGEDLO Cc1ccc2[nH+]c(CSCC(=O)N(CCC#N)CC(C)C)cn2c1 ZINC000728611356 574761865 /nfs/dbraw/zinc/76/18/65/574761865.db2.gz APNVPJRYACLKRF-UHFFFAOYSA-N 1 2 344.484 3.274 20 30 EGEDLO COc1cc(OC)c(C=NNc2cc[nH+]c3ccccc23)c(OC)c1 ZINC000730147714 574925228 /nfs/dbraw/zinc/92/52/28/574925228.db2.gz IWRVERUENDMMSZ-UHFFFAOYSA-N 1 2 337.379 3.129 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 ZINC000730280158 574965581 /nfs/dbraw/zinc/96/55/81/574965581.db2.gz KVFAJNHQTALNRI-SFHVURJKSA-N 1 2 335.407 3.218 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 ZINC000730280158 574965582 /nfs/dbraw/zinc/96/55/82/574965582.db2.gz KVFAJNHQTALNRI-SFHVURJKSA-N 1 2 335.407 3.218 20 30 EGEDLO CC(=[NH+]Nc1ccc(F)cn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000731319544 575065500 /nfs/dbraw/zinc/06/55/00/575065500.db2.gz WCVPDQBWSFNULL-UHFFFAOYSA-N 1 2 332.354 3.033 20 30 EGEDLO C=CCn1nnn(C[N@H+]2CCC[C@@](C)(c3ccccc3)C2)c1=S ZINC000733298544 575326009 /nfs/dbraw/zinc/32/60/09/575326009.db2.gz JWNOZCYIQOXTNG-QGZVFWFLSA-N 1 2 329.473 3.006 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2CCC[C@@](C)(c3ccccc3)C2)c1=S ZINC000733298544 575326011 /nfs/dbraw/zinc/32/60/11/575326011.db2.gz JWNOZCYIQOXTNG-QGZVFWFLSA-N 1 2 329.473 3.006 20 30 EGEDLO C=CCN1C(=O)/C(=C/c2c[nH+]c3ccc(Cl)cn23)SC1=S ZINC000737445113 576230536 /nfs/dbraw/zinc/23/05/36/576230536.db2.gz YDLGVDCVXABXCO-WDZFZDKYSA-N 1 2 335.841 3.375 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2C[C@H](C)C[C@H]2C)c1=S ZINC000740861954 576630899 /nfs/dbraw/zinc/63/08/99/576630899.db2.gz UAGMCAHZBMUIHB-ZIAGYGMSSA-N 1 2 329.473 3.350 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+]2C[C@H](C)C[C@H]2C)c1=S ZINC000740861954 576630901 /nfs/dbraw/zinc/63/09/01/576630901.db2.gz UAGMCAHZBMUIHB-ZIAGYGMSSA-N 1 2 329.473 3.350 20 30 EGEDLO CC1(C)[C@@H]2C[N@@H+](CC(=O)[C@@H](C#N)c3nc4ccccc4s3)C[C@@H]21 ZINC000741807256 576724069 /nfs/dbraw/zinc/72/40/69/576724069.db2.gz YBHCPUVJUOVSDX-UPJWGTAASA-N 1 2 325.437 3.060 20 30 EGEDLO CC1(C)[C@@H]2C[N@H+](CC(=O)[C@@H](C#N)c3nc4ccccc4s3)C[C@@H]21 ZINC000741807256 576724070 /nfs/dbraw/zinc/72/40/70/576724070.db2.gz YBHCPUVJUOVSDX-UPJWGTAASA-N 1 2 325.437 3.060 20 30 EGEDLO C=CCn1nnn(C[N@@H+](C)CC(C)(C)c2ccc(C)cc2)c1=S ZINC000742171546 576755139 /nfs/dbraw/zinc/75/51/39/576755139.db2.gz LXIQENVSUGHSAY-UHFFFAOYSA-N 1 2 331.489 3.171 20 30 EGEDLO C=CCn1nnn(C[N@H+](C)CC(C)(C)c2ccc(C)cc2)c1=S ZINC000742171546 576755141 /nfs/dbraw/zinc/75/51/41/576755141.db2.gz LXIQENVSUGHSAY-UHFFFAOYSA-N 1 2 331.489 3.171 20 30 EGEDLO Cc1sc(NC(=O)CO[NH+]=C(N)c2ccc(F)cc2)c(C)c1C ZINC000742353001 576771612 /nfs/dbraw/zinc/77/16/12/576771612.db2.gz KBEQEROWJZNDTK-UHFFFAOYSA-N 1 2 335.404 3.088 20 30 EGEDLO C#C[C@@H](C)OC(=O)c1cccc(OCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000744181347 576822420 /nfs/dbraw/zinc/82/24/20/576822420.db2.gz MKYANCUKVDSGND-OAHLLOKOSA-N 1 2 334.375 3.400 20 30 EGEDLO C[C@H]1c2ccccc2CC[N@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000744398454 576827204 /nfs/dbraw/zinc/82/72/04/576827204.db2.gz SZHSRDVXTPCZGK-HNNXBMFYSA-N 1 2 344.418 3.039 20 30 EGEDLO C[C@H]1c2ccccc2CC[N@@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000744398454 576827205 /nfs/dbraw/zinc/82/72/05/576827205.db2.gz SZHSRDVXTPCZGK-HNNXBMFYSA-N 1 2 344.418 3.039 20 30 EGEDLO CCC[C@H](CC)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000744478662 576829407 /nfs/dbraw/zinc/82/94/07/576829407.db2.gz JYPOGVUBMSFNQP-ZDUSSCGKSA-N 1 2 326.444 3.225 20 30 EGEDLO C#CCC[NH+]1CCN(C(=O)c2sc3cccc(F)c3c2C)CC1 ZINC000064442470 1292057800 /nfs/dbraw/zinc/05/78/00/1292057800.db2.gz SUJANNFSSDVPPX-UHFFFAOYSA-N 1 2 330.428 3.130 20 30 EGEDLO C=C(Br)C[NH2+]Cc1c(C)nn(CC(C)C)c1OCC ZINC000105453654 1293036329 /nfs/dbraw/zinc/03/63/29/1293036329.db2.gz WLFYRUISVQQCGE-UHFFFAOYSA-N 1 2 330.270 3.244 20 30 EGEDLO C#CCOc1ccc(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000108521907 1293082109 /nfs/dbraw/zinc/08/21/09/1293082109.db2.gz RFQBGWZDTZPWNF-UHFFFAOYSA-N 1 2 339.395 3.041 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000111277946 1293103134 /nfs/dbraw/zinc/10/31/34/1293103134.db2.gz FQJUIOFFDGFXSU-UWVAXJGDSA-N 1 2 328.456 3.038 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000111277946 1293103135 /nfs/dbraw/zinc/10/31/35/1293103135.db2.gz FQJUIOFFDGFXSU-UWVAXJGDSA-N 1 2 328.456 3.038 20 30 EGEDLO COC(=O)c1ccc(N=NC(C)C[NH+]2Cc3ccccc3C2)cc1F ZINC000835018517 1293188414 /nfs/dbraw/zinc/18/84/14/1293188414.db2.gz PLKWAABOBZWODI-UHFFFAOYSA-N 1 2 341.386 3.416 20 30 EGEDLO C#CCCCCC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000119911121 1293293654 /nfs/dbraw/zinc/29/36/54/1293293654.db2.gz LRBPMAKSJKGYSZ-UHFFFAOYSA-N 1 2 327.472 3.031 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](CC(C)C)C2CC2)c1=S ZINC000152123444 1293954985 /nfs/dbraw/zinc/95/49/85/1293954985.db2.gz TYAJPOLOULOMIZ-UHFFFAOYSA-N 1 2 344.488 3.135 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](CC(C)C)C2CC2)c1=S ZINC000152123444 1293954992 /nfs/dbraw/zinc/95/49/92/1293954992.db2.gz TYAJPOLOULOMIZ-UHFFFAOYSA-N 1 2 344.488 3.135 20 30 EGEDLO COc1ccc(C(N)=[NH+]OCCCSCC(C)C)cc1OC ZINC000154227380 1294046332 /nfs/dbraw/zinc/04/63/32/1294046332.db2.gz CKHFSSJPCLVOIL-UHFFFAOYSA-N 1 2 326.462 3.120 20 30 EGEDLO C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000154476096 1294057006 /nfs/dbraw/zinc/05/70/06/1294057006.db2.gz WYWBRLYXDRNFRF-SFHVURJKSA-N 1 2 335.451 3.295 20 30 EGEDLO Cc1cccn2c(/C=C/C(=O)c3cn(-c4ccccc4)nn3)c[nH+]c12 ZINC000165069532 1294355655 /nfs/dbraw/zinc/35/56/55/1294355655.db2.gz NLQQLHZKXGRIAC-MDZDMXLPSA-N 1 2 329.363 3.120 20 30 EGEDLO C#CCC1(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)CCCCC1 ZINC000870134666 1295692620 /nfs/dbraw/zinc/69/26/20/1295692620.db2.gz RZQDYEXOBLUMRP-UHFFFAOYSA-N 1 2 340.467 3.010 20 30 EGEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000195000955 1296027489 /nfs/dbraw/zinc/02/74/89/1296027489.db2.gz GYDHRYHFEFYORY-UHFFFAOYSA-N 1 2 343.358 3.254 20 30 EGEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000195000955 1296027502 /nfs/dbraw/zinc/02/75/02/1296027502.db2.gz GYDHRYHFEFYORY-UHFFFAOYSA-N 1 2 343.358 3.254 20 30 EGEDLO CCCCCCCS(=O)(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000249528839 1296446436 /nfs/dbraw/zinc/44/64/36/1296446436.db2.gz JFWDEWNMUDQSTG-CVEARBPZSA-N 1 2 327.494 3.066 20 30 EGEDLO COc1ccc(NC(=S)N[NH+]=Cc2ccc(N(C)C)cc2)cc1 ZINC000254749418 1296476186 /nfs/dbraw/zinc/47/61/86/1296476186.db2.gz PXOYWTLNOSMXTP-UHFFFAOYSA-N 1 2 328.441 3.082 20 30 EGEDLO C#C[C@@H](C)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000309123701 1297074286 /nfs/dbraw/zinc/07/42/86/1297074286.db2.gz OTBZXWAKIWYWAC-SSDOTTSWSA-N 1 2 333.023 3.029 20 30 EGEDLO C#C[C@@H](CC)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000310039261 1297083293 /nfs/dbraw/zinc/08/32/93/1297083293.db2.gz WWCACQWFPAWFLT-JTQLQIEISA-N 1 2 347.050 3.419 20 30 EGEDLO C=C(Br)C[NH2+][C@@H](CCO)c1ccccc1Br ZINC000381622992 1297554056 /nfs/dbraw/zinc/55/40/56/1297554056.db2.gz FJYHIJVCGCTMLD-LBPRGKRZSA-N 1 2 349.066 3.371 20 30 EGEDLO N#Cc1ccc(C[NH2+]Cc2cccc(O)c2Br)cc1F ZINC000404701217 1297759718 /nfs/dbraw/zinc/75/97/18/1297759718.db2.gz YVLRHNBWINMGPN-UHFFFAOYSA-N 1 2 335.176 3.455 20 30 EGEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000748499219 1299025599 /nfs/dbraw/zinc/02/55/99/1299025599.db2.gz VOPFKLNYFFUGIW-OAHLLOKOSA-N 1 2 347.374 3.255 20 30 EGEDLO O=[N+]([O-])c1ccccc1CC(=[NH+]n1cc(Br)cn1)C1CC1 ZINC000752744894 1299785694 /nfs/dbraw/zinc/78/56/94/1299785694.db2.gz GFFUILCENSHUHC-UHFFFAOYSA-N 1 2 349.188 3.411 20 30 EGEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCOC2(CCCC2)C1)c1ccccc1 ZINC000878198413 1299818196 /nfs/dbraw/zinc/81/81/96/1299818196.db2.gz VKLLYIRAXDGSHM-HXUWFJFHSA-N 1 2 326.440 3.072 20 30 EGEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCOC2(CCCC2)C1)c1ccccc1 ZINC000878198413 1299818213 /nfs/dbraw/zinc/81/82/13/1299818213.db2.gz VKLLYIRAXDGSHM-HXUWFJFHSA-N 1 2 326.440 3.072 20 30 EGEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCCC[C@@H]1c1cc[nH]n1)c1ccccc1 ZINC000878601246 1300099556 /nfs/dbraw/zinc/09/95/56/1300099556.db2.gz JGNDWOMSRYQPPD-WOJBJXKFSA-N 1 2 336.439 3.377 20 30 EGEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCCC[C@@H]1c1cc[nH]n1)c1ccccc1 ZINC000878601246 1300099560 /nfs/dbraw/zinc/09/95/60/1300099560.db2.gz JGNDWOMSRYQPPD-WOJBJXKFSA-N 1 2 336.439 3.377 20 30 EGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc2c(c1)CCC(=O)N2C ZINC000754704280 1300196116 /nfs/dbraw/zinc/19/61/16/1300196116.db2.gz BEUKEBOGRVXUIN-UHFFFAOYSA-N 1 2 344.418 3.402 20 30 EGEDLO N#Cc1ccc(Br)c(CO[NH+]=C(N)c2ccc(F)cc2)c1 ZINC000754882168 1300238651 /nfs/dbraw/zinc/23/86/51/1300238651.db2.gz GPFNLQYDFMPHBH-UHFFFAOYSA-N 1 2 348.175 3.297 20 30 EGEDLO C=CCOc1ccc(C(=O)OCc2cc[nH+]c(N(C)C)c2)cc1OC ZINC000755903089 1300411934 /nfs/dbraw/zinc/41/19/34/1300411934.db2.gz MQAKPJQPGZEFHG-UHFFFAOYSA-N 1 2 342.395 3.078 20 30 EGEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c1=S ZINC000755925608 1300417064 /nfs/dbraw/zinc/41/70/64/1300417064.db2.gz SJVQBECUGUHPCO-HNNXBMFYSA-N 1 2 332.448 3.495 20 30 EGEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c1=S ZINC000755925608 1300417068 /nfs/dbraw/zinc/41/70/68/1300417068.db2.gz SJVQBECUGUHPCO-HNNXBMFYSA-N 1 2 332.448 3.495 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000756579400 1300525538 /nfs/dbraw/zinc/52/55/38/1300525538.db2.gz NBIRHPAXWVZKLB-AWEZNQCLSA-N 1 2 335.245 3.102 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000756579400 1300525543 /nfs/dbraw/zinc/52/55/43/1300525543.db2.gz NBIRHPAXWVZKLB-AWEZNQCLSA-N 1 2 335.245 3.102 20 30 EGEDLO C#CCSCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756741282 1300558901 /nfs/dbraw/zinc/55/89/01/1300558901.db2.gz WYOHQIVUJWQGMA-VIFPVBQESA-N 1 2 332.238 3.311 20 30 EGEDLO Cc1c(N[NH+]=Cc2ccc(N3CCCC3)nc2)cccc1[N+](=O)[O-] ZINC000758368828 1300862786 /nfs/dbraw/zinc/86/27/86/1300862786.db2.gz BFVWAFLSVXKBFL-UHFFFAOYSA-N 1 2 325.372 3.344 20 30 EGEDLO COc1ccc([C@@H]2CCC[N@@H+]2Cn2cc3c(c(C#N)c2=O)CCC3)cc1 ZINC000766611077 1302487311 /nfs/dbraw/zinc/48/73/11/1302487311.db2.gz BVSRGYOKZXCTFH-FQEVSTJZSA-N 1 2 349.434 3.012 20 30 EGEDLO COc1ccc([C@@H]2CCC[N@H+]2Cn2cc3c(c(C#N)c2=O)CCC3)cc1 ZINC000766611077 1302487317 /nfs/dbraw/zinc/48/73/17/1302487317.db2.gz BVSRGYOKZXCTFH-FQEVSTJZSA-N 1 2 349.434 3.012 20 30 EGEDLO O=[N+]([O-])c1cc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)ccc1F ZINC000769829648 1303182222 /nfs/dbraw/zinc/18/22/22/1303182222.db2.gz GXKQSTZURWAMJF-UHFFFAOYSA-N 1 2 344.346 3.017 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(c3cn[nH]c3)CC2)c1C#N ZINC000773426508 1303678194 /nfs/dbraw/zinc/67/81/94/1303678194.db2.gz DNPKFQZZVSHREZ-UHFFFAOYSA-N 1 2 346.438 3.155 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000774029009 1303766361 /nfs/dbraw/zinc/76/63/61/1303766361.db2.gz AZPPGDWIYOIYPV-FQEVSTJZSA-N 1 2 334.419 3.302 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000774029009 1303766367 /nfs/dbraw/zinc/76/63/67/1303766367.db2.gz AZPPGDWIYOIYPV-FQEVSTJZSA-N 1 2 334.419 3.302 20 30 EGEDLO C#C[C@H]([NH2+]Cc1csc(-c2ccc(OC)cc2)n1)[C@@H]1CCCO1 ZINC000775340905 1303942852 /nfs/dbraw/zinc/94/28/52/1303942852.db2.gz JJWXMKILAUCVJT-IRXDYDNUSA-N 1 2 328.437 3.089 20 30 EGEDLO C=CCc1cc(C[NH2+]Cc2ccoc2C(=O)OC)cc(OC)c1OC ZINC000776173803 1304107454 /nfs/dbraw/zinc/10/74/54/1304107454.db2.gz NBJYLWQFIRLICH-UHFFFAOYSA-N 1 2 345.395 3.102 20 30 EGEDLO Cc1cc(C#N)ccc1CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000776749457 1304193876 /nfs/dbraw/zinc/19/38/76/1304193876.db2.gz RYOZLNVIMLKLHX-UHFFFAOYSA-N 1 2 344.212 3.466 20 30 EGEDLO CC(=[NH+]OCCC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000777463885 1304301681 /nfs/dbraw/zinc/30/16/81/1304301681.db2.gz JLDDSDFZWPQQCU-UHFFFAOYSA-N 1 2 334.313 3.355 20 30 EGEDLO C[C@@H]1C[NH+]=C(NN=Cc2ccc(Oc3cc(F)cc(F)c3)cc2)N1 ZINC000779805959 1304607568 /nfs/dbraw/zinc/60/75/68/1304607568.db2.gz WRMLGSKTRDMPBI-LLVKDONJSA-N 1 2 330.338 3.028 20 30 EGEDLO CC(=NNc1cc[nH+]cc1)c1cc(Br)cc(Cl)c1O ZINC000779812119 1304608553 /nfs/dbraw/zinc/60/85/53/1304608553.db2.gz ZCTAHAVKMRZENY-UHFFFAOYSA-N 1 2 340.608 3.461 20 30 EGEDLO Oc1ccc(/C=[NH+]/C[C@@H]2CCCN(c3ccccc3)C2)c(O)c1O ZINC000788318476 1305920466 /nfs/dbraw/zinc/92/04/66/1305920466.db2.gz DTQAQUMVCKIMQP-PVGUKEHMSA-N 1 2 326.396 3.139 20 30 EGEDLO CSc1ccc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000893903376 1306122219 /nfs/dbraw/zinc/12/22/19/1306122219.db2.gz RGAGQYQOFQFMHQ-UHFFFAOYSA-N 1 2 327.453 3.191 20 30 EGEDLO N#Cc1cc(N2CCC(Nc3cccc[nH+]3)CC2)c([N+](=O)[O-])s1 ZINC000895347301 1309292391 /nfs/dbraw/zinc/29/23/91/1309292391.db2.gz UWSHCJSNONKZOO-UHFFFAOYSA-N 1 2 329.385 3.004 20 30 EGEDLO COCCOc1ccc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)cc1 ZINC000794702547 1309578223 /nfs/dbraw/zinc/57/82/23/1309578223.db2.gz ZGMYPVQNLHGZFF-HJWRWDBZSA-N 1 2 346.452 3.126 20 30 EGEDLO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]Nc1ccc(F)cc1F ZINC000794855840 1309609619 /nfs/dbraw/zinc/60/96/19/1309609619.db2.gz BDQRWGZXGAWJQP-UHFFFAOYSA-N 1 2 327.338 3.487 20 30 EGEDLO CCn1c[nH+]c2c1CCN(c1c(Br)cccc1C#N)C2 ZINC000896655477 1309959508 /nfs/dbraw/zinc/95/95/08/1309959508.db2.gz XGFXEFQGVGDHTC-UHFFFAOYSA-N 1 2 331.217 3.100 20 30 EGEDLO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000798275786 1310332631 /nfs/dbraw/zinc/33/26/31/1310332631.db2.gz URHWZIKGIKKWJB-GDBMZVCRSA-N 1 2 349.862 3.497 20 30 EGEDLO Cc1ccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1C ZINC000798274885 1310332974 /nfs/dbraw/zinc/33/29/74/1310332974.db2.gz LKELPDKHEOTCAN-IRXDYDNUSA-N 1 2 329.444 3.152 20 30 EGEDLO C=CC[C@@H](CC)NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000798426019 1310360560 /nfs/dbraw/zinc/36/05/60/1310360560.db2.gz RRZSPMPWGWLJGC-MRXNPFEDSA-N 1 2 344.503 3.375 20 30 EGEDLO C=C(C)CNC(=S)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000799509945 1310565528 /nfs/dbraw/zinc/56/55/28/1310565528.db2.gz ZDBXMPQWVLUULD-INIZCTEOSA-N 1 2 347.528 3.042 20 30 EGEDLO C=C(C)CNC(=S)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000799509945 1310565529 /nfs/dbraw/zinc/56/55/29/1310565529.db2.gz ZDBXMPQWVLUULD-INIZCTEOSA-N 1 2 347.528 3.042 20 30 EGEDLO CC#CC(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000801131227 1310871764 /nfs/dbraw/zinc/87/17/64/1310871764.db2.gz ZFTZCTCBGJCHIY-UHFFFAOYSA-N 1 2 342.439 3.222 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2csc(-c3ccoc3)n2)C1 ZINC000956971960 1317109708 /nfs/dbraw/zinc/10/97/08/1317109708.db2.gz FCVFNVZESCRQHR-UHFFFAOYSA-N 1 2 331.441 3.126 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([NH2+][C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC001019232409 1317115736 /nfs/dbraw/zinc/11/57/36/1317115736.db2.gz ZVNPTFXAQAJGCL-KGLIPLIRSA-N 1 2 348.491 3.221 20 30 EGEDLO CC[C@]1(C(C)C)C[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000956980055 1317116898 /nfs/dbraw/zinc/11/68/98/1317116898.db2.gz VBAOCQGOANYICR-PZJWPPBQSA-N 1 2 339.483 3.275 20 30 EGEDLO Cc1ccc(C(=O)/C=C/C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000900341001 1317277281 /nfs/dbraw/zinc/27/72/81/1317277281.db2.gz YFAGYCFXDVNCDR-QZEKMECESA-N 1 2 339.439 3.162 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccccc2OCC2CC2)C1 ZINC000957420496 1317345984 /nfs/dbraw/zinc/34/59/84/1317345984.db2.gz NLASNMZQWIGQPL-UHFFFAOYSA-N 1 2 328.456 3.198 20 30 EGEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1cc2c(s1)SCC(=O)N2 ZINC000901489911 1317435267 /nfs/dbraw/zinc/43/52/67/1317435267.db2.gz LGHJMTLWVUSSBR-ARJAWSKDSA-N 1 2 333.438 3.466 20 30 EGEDLO O=C([C@H]1CCc2[nH+]ccn2C1)N(O)Cc1cc(Cl)cc(Cl)c1 ZINC000904180948 1317806446 /nfs/dbraw/zinc/80/64/46/1317806446.db2.gz OLUHVTWNLZNBPH-NSHDSACASA-N 1 2 340.210 3.170 20 30 EGEDLO C#C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000809980102 1317930322 /nfs/dbraw/zinc/93/03/22/1317930322.db2.gz HZHMUHGPMVXXSR-STQMWFEESA-N 1 2 329.183 3.172 20 30 EGEDLO N#Cc1ccc([C@H]([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)C(N)=O)cc1 ZINC000905854191 1318008397 /nfs/dbraw/zinc/00/83/97/1318008397.db2.gz DFAIITLKSPBRNQ-MJGOQNOKSA-N 1 2 347.418 3.121 20 30 EGEDLO N#Cc1ccc([C@H]([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)C(N)=O)cc1 ZINC000905854187 1318008777 /nfs/dbraw/zinc/00/87/77/1318008777.db2.gz DFAIITLKSPBRNQ-HKUYNNGSSA-N 1 2 347.418 3.121 20 30 EGEDLO N#Cc1sccc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000906610392 1318124353 /nfs/dbraw/zinc/12/43/53/1318124353.db2.gz LWJSHXFEDCNTDW-UHFFFAOYSA-N 1 2 340.452 3.325 20 30 EGEDLO C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1cccc2nc(C)[nH]c21 ZINC000960323348 1318461189 /nfs/dbraw/zinc/46/11/89/1318461189.db2.gz FYESNHNUWFCULC-RTBURBONSA-N 1 2 346.434 3.043 20 30 EGEDLO C/C=C(/C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000960530744 1318649301 /nfs/dbraw/zinc/64/93/01/1318649301.db2.gz HGNAJNRVDIZDDU-YMZHJHQHSA-N 1 2 329.419 3.086 20 30 EGEDLO C/C=C(/C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000960530744 1318649309 /nfs/dbraw/zinc/64/93/09/1318649309.db2.gz HGNAJNRVDIZDDU-YMZHJHQHSA-N 1 2 329.419 3.086 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)C=C1CCC1 ZINC000960539038 1318665730 /nfs/dbraw/zinc/66/57/30/1318665730.db2.gz FRVDERKQZHFTET-IBGZPJMESA-N 1 2 341.430 3.230 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)C=C1CCC1 ZINC000960539038 1318665737 /nfs/dbraw/zinc/66/57/37/1318665737.db2.gz FRVDERKQZHFTET-IBGZPJMESA-N 1 2 341.430 3.230 20 30 EGEDLO Cc1[nH+]cc(CN=Nc2nc(-c3cccnc3)no2)n1-c1ccccc1 ZINC000814949486 1318858811 /nfs/dbraw/zinc/85/88/11/1318858811.db2.gz AZEWBFKQKRYVON-UHFFFAOYSA-N 1 2 345.366 3.072 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCN1C(=O)C(C)(C)C ZINC000960993343 1319124626 /nfs/dbraw/zinc/12/46/26/1319124626.db2.gz NZJVDOHQTIDGPT-QGZVFWFLSA-N 1 2 331.435 3.166 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCN1C(=O)C(C)(C)C ZINC000960993343 1319124632 /nfs/dbraw/zinc/12/46/32/1319124632.db2.gz NZJVDOHQTIDGPT-QGZVFWFLSA-N 1 2 331.435 3.166 20 30 EGEDLO N#C[C@H]1C[N@H+](CC(c2ccccc2)c2ccccc2)CCN1C1CC1 ZINC000816511177 1319169170 /nfs/dbraw/zinc/16/91/70/1319169170.db2.gz QPWPCNHBNGBNGZ-NRFANRHFSA-N 1 2 331.463 3.491 20 30 EGEDLO N#C[C@H]1C[N@@H+](CC(c2ccccc2)c2ccccc2)CCN1C1CC1 ZINC000816511177 1319169176 /nfs/dbraw/zinc/16/91/76/1319169176.db2.gz QPWPCNHBNGBNGZ-NRFANRHFSA-N 1 2 331.463 3.491 20 30 EGEDLO N#CCOc1cccc(OCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000817379861 1319345448 /nfs/dbraw/zinc/34/54/48/1319345448.db2.gz FEVIZTSITDPGCM-UHFFFAOYSA-N 1 2 338.407 3.000 20 30 EGEDLO C[C@@H]1CN(c2ccccc2C=[NH+]Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000915934902 1319564906 /nfs/dbraw/zinc/56/49/06/1319564906.db2.gz NERQCDIXKFEBFO-CQSZACIVSA-N 1 2 340.383 3.266 20 30 EGEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(F)cc1C#N ZINC000917008615 1319737420 /nfs/dbraw/zinc/73/74/20/1319737420.db2.gz XLYBSLRMMOSRSL-OAHLLOKOSA-N 1 2 329.379 3.130 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000820630101 1319924712 /nfs/dbraw/zinc/92/47/12/1319924712.db2.gz RUWRLEOIXDWNOU-AWEZNQCLSA-N 1 2 341.377 3.170 20 30 EGEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000824867458 1320293067 /nfs/dbraw/zinc/29/30/67/1320293067.db2.gz PRBJYUMDFWMTBQ-UHFFFAOYSA-N 1 2 342.439 3.287 20 30 EGEDLO O=C(C#Cc1cccs1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000825761154 1320361072 /nfs/dbraw/zinc/36/10/72/1320361072.db2.gz QKBUYMDUEVHTFL-UHFFFAOYSA-N 1 2 339.464 3.191 20 30 EGEDLO CN(C)c1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)cc1F ZINC000826894675 1320412296 /nfs/dbraw/zinc/41/22/96/1320412296.db2.gz TWPIVOSQWGGTRK-UHFFFAOYSA-N 1 2 344.459 3.147 20 30 EGEDLO CC(C)(C#N)CCCCOC(=O)c1ccc(N)c(-n2cc[nH+]c2)c1 ZINC000838097609 1320726774 /nfs/dbraw/zinc/72/67/74/1320726774.db2.gz NXUDIOXZSGRGEP-UHFFFAOYSA-N 1 2 326.400 3.331 20 30 EGEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)C(=O)OC ZINC000839170366 1320883719 /nfs/dbraw/zinc/88/37/19/1320883719.db2.gz ZXCKGFPYLKUONG-OAGGEKHMSA-N 1 2 339.357 3.496 20 30 EGEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000839601044 1320943836 /nfs/dbraw/zinc/94/38/36/1320943836.db2.gz HVPRNWUNHLKXCJ-IBGZPJMESA-N 1 2 345.446 3.457 20 30 EGEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000839601044 1320943838 /nfs/dbraw/zinc/94/38/38/1320943838.db2.gz HVPRNWUNHLKXCJ-IBGZPJMESA-N 1 2 345.446 3.457 20 30 EGEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1C(=O)C2(CCC2)[C@H]1c1cccnc1 ZINC000839959740 1321002614 /nfs/dbraw/zinc/00/26/14/1321002614.db2.gz NBURYLULZVPJJT-LJQANCHMSA-N 1 2 346.434 3.096 20 30 EGEDLO C[N@H+](Cc1cccc(C#N)c1)CN1C(=O)C2(CCC2)[C@H]1c1cccnc1 ZINC000839959740 1321002619 /nfs/dbraw/zinc/00/26/19/1321002619.db2.gz NBURYLULZVPJJT-LJQANCHMSA-N 1 2 346.434 3.096 20 30 EGEDLO C#CCCCS(=O)(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000840945715 1321182987 /nfs/dbraw/zinc/18/29/87/1321182987.db2.gz AFCFAAASNQFVEW-UHFFFAOYSA-N 1 2 343.452 3.042 20 30 EGEDLO C#CC1CC[NH+](Cn2nc(N3CCCCC3)n(C3CC3)c2=S)CC1 ZINC000842633724 1321410418 /nfs/dbraw/zinc/41/04/18/1321410418.db2.gz MOMKTGMJWZHOQQ-UHFFFAOYSA-N 1 2 345.516 3.042 20 30 EGEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000847381618 1321868187 /nfs/dbraw/zinc/86/81/87/1321868187.db2.gz BGCBWGQYGMXISS-YJBOKZPZSA-N 1 2 338.455 3.164 20 30 EGEDLO N#Cc1ccccc1COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000849194488 1322096334 /nfs/dbraw/zinc/09/63/34/1322096334.db2.gz OYMPJFJYCFJNCU-UHFFFAOYSA-N 1 2 348.318 3.009 20 30 EGEDLO N#Cc1ccccc1/C=C\C(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851398692 1323031057 /nfs/dbraw/zinc/03/10/57/1323031057.db2.gz YHJNZNMRVJBKJS-HJWRWDBZSA-N 1 2 347.418 3.426 20 30 EGEDLO N#Cc1ccc(CCC(=O)OCC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000851397639 1323031731 /nfs/dbraw/zinc/03/17/31/1323031731.db2.gz KKXNLBNFGRLDJE-UHFFFAOYSA-N 1 2 349.434 3.346 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccc(SC(F)F)cc1)[C@H](C)COC ZINC000852358201 1323182908 /nfs/dbraw/zinc/18/29/08/1323182908.db2.gz OSOAKSDVMYAKRP-GFCCVEGCSA-N 1 2 344.427 3.463 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(SC(F)F)cc1)[C@H](C)COC ZINC000852358201 1323182915 /nfs/dbraw/zinc/18/29/15/1323182915.db2.gz OSOAKSDVMYAKRP-GFCCVEGCSA-N 1 2 344.427 3.463 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)CC[C@H]1F ZINC000852739268 1323233635 /nfs/dbraw/zinc/23/36/35/1323233635.db2.gz QSROEYIMAMDHRB-ZIAGYGMSSA-N 1 2 339.436 3.057 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[C@H]1F ZINC000852739268 1323233642 /nfs/dbraw/zinc/23/36/42/1323233642.db2.gz QSROEYIMAMDHRB-ZIAGYGMSSA-N 1 2 339.436 3.057 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccco2)cc1F ZINC001024303409 1323287379 /nfs/dbraw/zinc/28/73/79/1323287379.db2.gz LOXONZIUECDKLS-INIZCTEOSA-N 1 2 341.386 3.075 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)c2ccco2)cc1F ZINC001024303409 1323287386 /nfs/dbraw/zinc/28/73/86/1323287386.db2.gz LOXONZIUECDKLS-INIZCTEOSA-N 1 2 341.386 3.075 20 30 EGEDLO Cc1cccnc1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001024380611 1323352737 /nfs/dbraw/zinc/35/27/37/1323352737.db2.gz PCSZBIOBERKWNV-IBGZPJMESA-N 1 2 348.450 3.046 20 30 EGEDLO Cc1cccnc1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001024380611 1323352743 /nfs/dbraw/zinc/35/27/43/1323352743.db2.gz PCSZBIOBERKWNV-IBGZPJMESA-N 1 2 348.450 3.046 20 30 EGEDLO Cc1cccnc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001024380612 1323352954 /nfs/dbraw/zinc/35/29/54/1323352954.db2.gz PCSZBIOBERKWNV-LJQANCHMSA-N 1 2 348.450 3.046 20 30 EGEDLO Cc1cccnc1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001024380612 1323352958 /nfs/dbraw/zinc/35/29/58/1323352958.db2.gz PCSZBIOBERKWNV-LJQANCHMSA-N 1 2 348.450 3.046 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1nccc2occc21 ZINC001024571415 1323508900 /nfs/dbraw/zinc/50/89/00/1323508900.db2.gz CUSSCDJRAJKGNK-ZDUSSCGKSA-N 1 2 333.819 3.165 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1nccc2occc21 ZINC001024571415 1323508907 /nfs/dbraw/zinc/50/89/07/1323508907.db2.gz CUSSCDJRAJKGNK-ZDUSSCGKSA-N 1 2 333.819 3.165 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001024620414 1323548780 /nfs/dbraw/zinc/54/87/80/1323548780.db2.gz UHKUVWPWPHJCKP-DOTOQJQBSA-N 1 2 336.838 3.189 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001024620414 1323548782 /nfs/dbraw/zinc/54/87/82/1323548782.db2.gz UHKUVWPWPHJCKP-DOTOQJQBSA-N 1 2 336.838 3.189 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1csc(Cl)n1 ZINC001024744622 1323643606 /nfs/dbraw/zinc/64/36/06/1323643606.db2.gz AQWRNSBCLOXJSJ-JTQLQIEISA-N 1 2 334.272 3.133 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1csc(Cl)n1 ZINC001024744622 1323643615 /nfs/dbraw/zinc/64/36/15/1323643615.db2.gz AQWRNSBCLOXJSJ-JTQLQIEISA-N 1 2 334.272 3.133 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(F)cc1F ZINC001024786522 1323689829 /nfs/dbraw/zinc/68/98/29/1323689829.db2.gz LJYZDZSBXULATL-CYBMUJFWSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(F)cc1F ZINC001024786522 1323689832 /nfs/dbraw/zinc/68/98/32/1323689832.db2.gz LJYZDZSBXULATL-CYBMUJFWSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(COC)cc1 ZINC001024794523 1323699587 /nfs/dbraw/zinc/69/95/87/1323699587.db2.gz MIKWEDJQNUJDJF-QGZVFWFLSA-N 1 2 336.863 3.170 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(COC)cc1 ZINC001024794523 1323699590 /nfs/dbraw/zinc/69/95/90/1323699590.db2.gz MIKWEDJQNUJDJF-QGZVFWFLSA-N 1 2 336.863 3.170 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1csnn1 ZINC001025259051 1324068921 /nfs/dbraw/zinc/06/89/21/1324068921.db2.gz NBMWJTORQVTENO-JKSUJKDBSA-N 1 2 348.516 3.096 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1csnn1 ZINC001025259051 1324068928 /nfs/dbraw/zinc/06/89/28/1324068928.db2.gz NBMWJTORQVTENO-JKSUJKDBSA-N 1 2 348.516 3.096 20 30 EGEDLO Cc1ccc(N[NH+]=Cc2c(Cl)nc(N)nc2N2CCCC2)cc1F ZINC000853438940 1325091710 /nfs/dbraw/zinc/09/17/10/1325091710.db2.gz UVTGSEZIZCQASO-UHFFFAOYSA-N 1 2 348.813 3.206 20 30 EGEDLO C=CC[C@@H]1CCC[N@@H+](Cn2nc(-c3cccnc3)n(C)c2=S)C1 ZINC000853536057 1325116697 /nfs/dbraw/zinc/11/66/97/1325116697.db2.gz KFMJPHYBCKMCEL-CQSZACIVSA-N 1 2 329.473 3.259 20 30 EGEDLO C=CC[C@@H]1CCC[N@H+](Cn2nc(-c3cccnc3)n(C)c2=S)C1 ZINC000853536057 1325116704 /nfs/dbraw/zinc/11/67/04/1325116704.db2.gz KFMJPHYBCKMCEL-CQSZACIVSA-N 1 2 329.473 3.259 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1N[C@@H](C)CNC(=O)OC(C)(C)C ZINC000853535055 1325117600 /nfs/dbraw/zinc/11/76/00/1325117600.db2.gz OWVGHYSPMPGHPD-AWEZNQCLSA-N 1 2 333.432 3.199 20 30 EGEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2c(F)cccc2Cl)C1 ZINC001027330213 1325485776 /nfs/dbraw/zinc/48/57/76/1325485776.db2.gz LKCWEOJWMLKTAV-CHWSQXEVSA-N 1 2 337.826 3.062 20 30 EGEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2c(F)cccc2Cl)C1 ZINC001027330213 1325485781 /nfs/dbraw/zinc/48/57/81/1325485781.db2.gz LKCWEOJWMLKTAV-CHWSQXEVSA-N 1 2 337.826 3.062 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)[C@H](C)c2nc(CC)no2)C1 ZINC001027519283 1327790495 /nfs/dbraw/zinc/79/04/95/1327790495.db2.gz JCFOFPQTICLHJL-CABCVRRESA-N 1 2 348.491 3.218 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([N@H+](C)[C@H](C)c2nc(CC)no2)C1 ZINC001027519283 1327790503 /nfs/dbraw/zinc/79/05/03/1327790503.db2.gz JCFOFPQTICLHJL-CABCVRRESA-N 1 2 348.491 3.218 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)CC)C1 ZINC001027550532 1327858815 /nfs/dbraw/zinc/85/88/15/1327858815.db2.gz YKVKCWSUYRIWNN-ZDUSSCGKSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)CC)C1 ZINC001027550532 1327858807 /nfs/dbraw/zinc/85/88/07/1327858807.db2.gz YKVKCWSUYRIWNN-ZDUSSCGKSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@H+](C)Cc3cc(C)on3)C2)CC1 ZINC001027559091 1327868964 /nfs/dbraw/zinc/86/89/64/1327868964.db2.gz OFOBAJCJPVRVTA-GOSISDBHSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3cc(C)on3)C2)CC1 ZINC001027559091 1327868970 /nfs/dbraw/zinc/86/89/70/1327868970.db2.gz OFOBAJCJPVRVTA-GOSISDBHSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@H+](C)Cc3nocc3C)C2)CC1 ZINC001027559404 1327870463 /nfs/dbraw/zinc/87/04/63/1327870463.db2.gz XHICGEQSORZULQ-KRWDZBQOSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@@H+](C)Cc3nocc3C)C2)CC1 ZINC001027559404 1327870473 /nfs/dbraw/zinc/87/04/73/1327870473.db2.gz XHICGEQSORZULQ-KRWDZBQOSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1C ZINC001027730408 1328154286 /nfs/dbraw/zinc/15/42/86/1328154286.db2.gz PHYGPYWFPAWHFV-CQSZACIVSA-N 1 2 337.261 3.098 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1C ZINC001027730408 1328154288 /nfs/dbraw/zinc/15/42/88/1328154288.db2.gz PHYGPYWFPAWHFV-CQSZACIVSA-N 1 2 337.261 3.098 20 30 EGEDLO CC1(C)CC(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2C#N)C1 ZINC001027862765 1328324240 /nfs/dbraw/zinc/32/42/40/1328324240.db2.gz VZRXEOXWERDFMX-SFHVURJKSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC(C(=O)NC[C@@H]2CCC[N@H+]2Cc2cc(F)ccc2C#N)C1 ZINC001027862765 1328324247 /nfs/dbraw/zinc/32/42/47/1328324247.db2.gz VZRXEOXWERDFMX-SFHVURJKSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)cc(OC)c1C ZINC001028004292 1328466139 /nfs/dbraw/zinc/46/61/39/1328466139.db2.gz WVPOOGGOGBUPRH-OAHLLOKOSA-N 1 2 336.863 3.259 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)cc(OC)c1C ZINC001028004292 1328466144 /nfs/dbraw/zinc/46/61/44/1328466144.db2.gz WVPOOGGOGBUPRH-OAHLLOKOSA-N 1 2 336.863 3.259 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2ccco2)o1 ZINC001028017799 1328480330 /nfs/dbraw/zinc/48/03/30/1328480330.db2.gz XUXNULJWKDWCME-CYBMUJFWSA-N 1 2 334.803 3.486 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2ccco2)o1 ZINC001028017799 1328480339 /nfs/dbraw/zinc/48/03/39/1328480339.db2.gz XUXNULJWKDWCME-CYBMUJFWSA-N 1 2 334.803 3.486 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001028023917 1328486064 /nfs/dbraw/zinc/48/60/64/1328486064.db2.gz ZITIOHTVTHHFNO-BFHYXJOUSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001028023917 1328486077 /nfs/dbraw/zinc/48/60/77/1328486077.db2.gz ZITIOHTVTHHFNO-BFHYXJOUSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CCN(c3cc(C)[nH+]c(C(C)C)n3)C2)C1 ZINC001063028522 1351705388 /nfs/dbraw/zinc/70/53/88/1351705388.db2.gz OOMLHRGFSJBEHG-MRXNPFEDSA-N 1 2 342.487 3.302 20 30 EGEDLO CSCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000932590417 1329825434 /nfs/dbraw/zinc/82/54/34/1329825434.db2.gz ZBQLAQQBIUHTBV-UHFFFAOYSA-N 1 2 337.876 3.225 20 30 EGEDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000867627961 1330211649 /nfs/dbraw/zinc/21/16/49/1330211649.db2.gz MFGNOMGRLOPUOZ-UHFFFAOYSA-N 1 2 329.425 3.090 20 30 EGEDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1cccc(F)c1C#N ZINC000867628191 1330211743 /nfs/dbraw/zinc/21/17/43/1330211743.db2.gz RYGAURIPPODZIQ-UHFFFAOYSA-N 1 2 333.388 3.088 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nccc(C)n3)[C@H](C)C2)CC1 ZINC000947688713 1333223253 /nfs/dbraw/zinc/22/32/53/1333223253.db2.gz DYNRAWZFORTHEO-AEFFLSMTSA-N 1 2 342.487 3.001 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nccc(C)n3)[C@H](C)C2)CC1 ZINC000947688713 1333223256 /nfs/dbraw/zinc/22/32/56/1333223256.db2.gz DYNRAWZFORTHEO-AEFFLSMTSA-N 1 2 342.487 3.001 20 30 EGEDLO C=CCn1cccc1C(=O)N1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC000948762327 1333666797 /nfs/dbraw/zinc/66/67/97/1333666797.db2.gz VJTMYJNTXVUZNB-MRXNPFEDSA-N 1 2 341.430 3.332 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1csc(C)c1C ZINC000948919241 1333733736 /nfs/dbraw/zinc/73/37/36/1333733736.db2.gz BXEZSQDNBCGXKR-LJQANCHMSA-N 1 2 338.476 3.327 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1csc(C)c1C ZINC000948919241 1333733740 /nfs/dbraw/zinc/73/37/40/1333733740.db2.gz BXEZSQDNBCGXKR-LJQANCHMSA-N 1 2 338.476 3.327 20 30 EGEDLO C=C(C)C[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccns1 ZINC000948923546 1333735817 /nfs/dbraw/zinc/73/58/17/1333735817.db2.gz LSXAZFHBLPNHBP-INIZCTEOSA-N 1 2 327.453 3.048 20 30 EGEDLO C=C(C)C[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccns1 ZINC000948923546 1333735819 /nfs/dbraw/zinc/73/58/19/1333735819.db2.gz LSXAZFHBLPNHBP-INIZCTEOSA-N 1 2 327.453 3.048 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(CC)o1 ZINC000948930076 1333738053 /nfs/dbraw/zinc/73/80/53/1333738053.db2.gz XTYGNSMYTPVVOM-IBGZPJMESA-N 1 2 336.435 3.195 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(CC)o1 ZINC000948930076 1333738054 /nfs/dbraw/zinc/73/80/54/1333738054.db2.gz XTYGNSMYTPVVOM-IBGZPJMESA-N 1 2 336.435 3.195 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(C)c(C)n1 ZINC000948935282 1333740072 /nfs/dbraw/zinc/74/00/72/1333740072.db2.gz DVCRWVQHZRAMDA-OAQYLSRUSA-N 1 2 347.462 3.051 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(C)c(C)n1 ZINC000948935282 1333740073 /nfs/dbraw/zinc/74/00/73/1333740073.db2.gz DVCRWVQHZRAMDA-OAQYLSRUSA-N 1 2 347.462 3.051 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ncc(Cl)s1 ZINC000948936627 1333740432 /nfs/dbraw/zinc/74/04/32/1333740432.db2.gz WCHTVVVDJADZPD-CQSZACIVSA-N 1 2 347.871 3.312 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ncc(Cl)s1 ZINC000948936627 1333740435 /nfs/dbraw/zinc/74/04/35/1333740435.db2.gz WCHTVVVDJADZPD-CQSZACIVSA-N 1 2 347.871 3.312 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C)ccc1F ZINC000948965159 1333749774 /nfs/dbraw/zinc/74/97/74/1333749774.db2.gz GXJWWUFROPWNBW-HXUWFJFHSA-N 1 2 336.410 3.097 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C)ccc1F ZINC000948965159 1333749776 /nfs/dbraw/zinc/74/97/76/1333749776.db2.gz GXJWWUFROPWNBW-HXUWFJFHSA-N 1 2 336.410 3.097 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC000948983066 1333758611 /nfs/dbraw/zinc/75/86/11/1333758611.db2.gz VSRWCUAKFAQGQR-NRFANRHFSA-N 1 2 332.447 3.266 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC000948983066 1333758614 /nfs/dbraw/zinc/75/86/14/1333758614.db2.gz VSRWCUAKFAQGQR-NRFANRHFSA-N 1 2 332.447 3.266 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC2CCC1CC2 ZINC000948987324 1333761363 /nfs/dbraw/zinc/76/13/63/1333761363.db2.gz XNZYQSBAXICIMG-NGKMOHNRSA-N 1 2 336.479 3.162 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC2CCC1CC2 ZINC000948987324 1333761365 /nfs/dbraw/zinc/76/13/65/1333761365.db2.gz XNZYQSBAXICIMG-NGKMOHNRSA-N 1 2 336.479 3.162 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1c(C)cccc1F ZINC000948989957 1333762513 /nfs/dbraw/zinc/76/25/13/1333762513.db2.gz VDJSRFMXCCZYCD-IBGZPJMESA-N 1 2 336.410 3.097 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1c(C)cccc1F ZINC000948989957 1333762514 /nfs/dbraw/zinc/76/25/14/1333762514.db2.gz VDJSRFMXCCZYCD-IBGZPJMESA-N 1 2 336.410 3.097 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](CCOc2cc(C)ccc2C)CC1 ZINC000949635744 1333886895 /nfs/dbraw/zinc/88/68/95/1333886895.db2.gz OIRQHTSPRPBUQY-UHFFFAOYSA-N 1 2 344.499 3.429 20 30 EGEDLO C=C[C@@H](C(=O)N1CCC[C@@H]1CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001063491283 1351886880 /nfs/dbraw/zinc/88/68/80/1351886880.db2.gz BBDXDCXNFTXBMM-QZTJIDSGSA-N 1 2 336.439 3.158 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[NH+]([C@@H]3CCc4ccc(F)cc43)CC2)C1 ZINC000950373365 1334053103 /nfs/dbraw/zinc/05/31/03/1334053103.db2.gz UYHCLDVCQLGBQM-GOSISDBHSA-N 1 2 328.431 3.314 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2oc3ccc(F)cc3c2C)C1 ZINC000950515171 1334083674 /nfs/dbraw/zinc/08/36/74/1334083674.db2.gz MZIJZVKYISFPEM-UHFFFAOYSA-N 1 2 328.387 3.050 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000951710520 1334305333 /nfs/dbraw/zinc/30/53/33/1334305333.db2.gz PIBXYBAQZNCDFN-MNEFBYGVSA-N 1 2 346.446 3.012 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2cccc(CC)c2)C1 ZINC000967007994 1335640959 /nfs/dbraw/zinc/64/09/59/1335640959.db2.gz OXQSAOHLTMVENV-KSSFIOAISA-N 1 2 334.891 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2cccc(CC)c2)C1 ZINC000967007994 1335640963 /nfs/dbraw/zinc/64/09/63/1335640963.db2.gz OXQSAOHLTMVENV-KSSFIOAISA-N 1 2 334.891 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc3ncccc32)C1 ZINC000967601342 1335787394 /nfs/dbraw/zinc/78/73/94/1335787394.db2.gz YXFPJZGRUQWEOR-FZKQIMNGSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc3ncccc32)C1 ZINC000967601342 1335787396 /nfs/dbraw/zinc/78/73/96/1335787396.db2.gz YXFPJZGRUQWEOR-FZKQIMNGSA-N 1 2 343.858 3.428 20 30 EGEDLO C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)C1(C)CCC1 ZINC000967750574 1335812020 /nfs/dbraw/zinc/81/20/20/1335812020.db2.gz SQIJKLGZMGKKSV-KSSFIOAISA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)C1(C)CCC1 ZINC000967750574 1335812023 /nfs/dbraw/zinc/81/20/23/1335812023.db2.gz SQIJKLGZMGKKSV-KSSFIOAISA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2c(F)cccc2F)C1 ZINC000968034115 1335846682 /nfs/dbraw/zinc/84/66/82/1335846682.db2.gz HDHYHRRATOHNKS-BDJLRTHQSA-N 1 2 342.817 3.086 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2c(F)cccc2F)C1 ZINC000968034115 1335846684 /nfs/dbraw/zinc/84/66/84/1335846684.db2.gz HDHYHRRATOHNKS-BDJLRTHQSA-N 1 2 342.817 3.086 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(F)c(F)c2F)C1 ZINC000968082450 1335854888 /nfs/dbraw/zinc/85/48/88/1335854888.db2.gz UHEDVBCBVRYJFR-RNCFNFMXSA-N 1 2 346.780 3.297 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(F)c(F)c2F)C1 ZINC000968082450 1335854889 /nfs/dbraw/zinc/85/48/89/1335854889.db2.gz UHEDVBCBVRYJFR-RNCFNFMXSA-N 1 2 346.780 3.297 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C)c(F)c2F)C1 ZINC000968346395 1335896168 /nfs/dbraw/zinc/89/61/68/1335896168.db2.gz URCDYGVWEOVSRS-YGRLFVJLSA-N 1 2 342.817 3.466 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C)c(F)c2F)C1 ZINC000968346395 1335896170 /nfs/dbraw/zinc/89/61/70/1335896170.db2.gz URCDYGVWEOVSRS-YGRLFVJLSA-N 1 2 342.817 3.466 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cnc3ccccc3c2)C1 ZINC000968361269 1335903228 /nfs/dbraw/zinc/90/32/28/1335903228.db2.gz UIWGBFCHABXLSM-SCLBCKFNSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cnc3ccccc3c2)C1 ZINC000968361269 1335903234 /nfs/dbraw/zinc/90/32/34/1335903234.db2.gz UIWGBFCHABXLSM-SCLBCKFNSA-N 1 2 343.858 3.428 20 30 EGEDLO Cc1cc(NCC[C@@H]2CCCCN2C(=O)[C@@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001063822455 1352028080 /nfs/dbraw/zinc/02/80/80/1352028080.db2.gz BCRJARTVLONLID-HOCLYGCPSA-N 1 2 343.475 3.251 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(OCC)cc2)C1 ZINC000968598190 1335978008 /nfs/dbraw/zinc/97/80/08/1335978008.db2.gz BKIXEVVTQYFCOG-DYVFJYSZSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(OCC)cc2)C1 ZINC000968598190 1335978010 /nfs/dbraw/zinc/97/80/10/1335978010.db2.gz BKIXEVVTQYFCOG-DYVFJYSZSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2ccccc2Cl)C1 ZINC000968624761 1335988634 /nfs/dbraw/zinc/98/86/34/1335988634.db2.gz ZBHGWAHNGYKQBI-BLLLJJGKSA-N 1 2 341.282 3.462 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2ccccc2Cl)C1 ZINC000968624761 1335988636 /nfs/dbraw/zinc/98/86/36/1335988636.db2.gz ZBHGWAHNGYKQBI-BLLLJJGKSA-N 1 2 341.282 3.462 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cncc3ccccc32)C1 ZINC000968678268 1336007582 /nfs/dbraw/zinc/00/75/82/1336007582.db2.gz PHMHIXRUIJYYRN-FZKQIMNGSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cncc3ccccc32)C1 ZINC000968678268 1336007586 /nfs/dbraw/zinc/00/75/86/1336007586.db2.gz PHMHIXRUIJYYRN-FZKQIMNGSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1conc1C1CC1 ZINC000969022283 1336119975 /nfs/dbraw/zinc/11/99/75/1336119975.db2.gz BGRBARYBUXJQLP-AWEZNQCLSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1conc1C1CC1 ZINC000969022283 1336119978 /nfs/dbraw/zinc/11/99/78/1336119978.db2.gz BGRBARYBUXJQLP-AWEZNQCLSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2ncc(C(C)(C)C)o2)C1 ZINC000969563611 1336224089 /nfs/dbraw/zinc/22/40/89/1336224089.db2.gz GGVMZGCUWNVWLR-CQSZACIVSA-N 1 2 333.476 3.265 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+][C@H](C)c2nnc(CC(C)C)o2)C1 ZINC000969564122 1336224454 /nfs/dbraw/zinc/22/44/54/1336224454.db2.gz MHKFXAPMROFLQB-HUUCEWRRSA-N 1 2 348.491 3.122 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2conc2C2CCCC2)C1 ZINC000969824708 1336250989 /nfs/dbraw/zinc/25/09/89/1336250989.db2.gz FSPBETNGPCSHIU-GFCCVEGCSA-N 1 2 337.851 3.135 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]([NH2+]Cc2nc(C3CCCC3)no2)C1 ZINC000969831114 1336252343 /nfs/dbraw/zinc/25/23/43/1336252343.db2.gz AOXAZTOJJLKVAE-BEFAXECRSA-N 1 2 346.475 3.020 20 30 EGEDLO C[C@@H](NC(=O)c1occc1Cl)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970374367 1336299661 /nfs/dbraw/zinc/29/96/61/1336299661.db2.gz LPEANFQOOBWVBS-GFCCVEGCSA-N 1 2 343.814 3.055 20 30 EGEDLO C=C1CCC(C(=O)N(C)C2CC[NH+](Cc3ncc(C)o3)CC2)CC1 ZINC001005931194 1336423686 /nfs/dbraw/zinc/42/36/86/1336423686.db2.gz QQSLIWORLLXZEQ-UHFFFAOYSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2cc(C)cc3cn[nH]c32)CC1 ZINC001006148979 1336460157 /nfs/dbraw/zinc/46/01/57/1336460157.db2.gz WHXKGXKKRDUXMV-UHFFFAOYSA-N 1 2 346.862 3.160 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2cc(C)cc3c[nH]nc32)CC1 ZINC001006148979 1336460158 /nfs/dbraw/zinc/46/01/58/1336460158.db2.gz WHXKGXKKRDUXMV-UHFFFAOYSA-N 1 2 346.862 3.160 20 30 EGEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)C1CCCCC1 ZINC001006611506 1336538627 /nfs/dbraw/zinc/53/86/27/1336538627.db2.gz XVKKLNSFISKEOH-HXUWFJFHSA-N 1 2 342.458 3.338 20 30 EGEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)C1CCCCC1 ZINC001006611506 1336538630 /nfs/dbraw/zinc/53/86/30/1336538630.db2.gz XVKKLNSFISKEOH-HXUWFJFHSA-N 1 2 342.458 3.338 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)c(C)o1 ZINC001006707048 1336560040 /nfs/dbraw/zinc/56/00/40/1336560040.db2.gz ZXLGKFNNFIDZIQ-LJQANCHMSA-N 1 2 336.435 3.142 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)c(C)o1 ZINC001006707048 1336560041 /nfs/dbraw/zinc/56/00/41/1336560041.db2.gz ZXLGKFNNFIDZIQ-LJQANCHMSA-N 1 2 336.435 3.142 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC001007504330 1336659777 /nfs/dbraw/zinc/65/97/77/1336659777.db2.gz WFDRNQJZCCSDIF-NFSPANSCSA-N 1 2 336.907 3.392 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC001007504330 1336659780 /nfs/dbraw/zinc/65/97/80/1336659780.db2.gz WFDRNQJZCCSDIF-NFSPANSCSA-N 1 2 336.907 3.392 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3ccc(OC)cc32)C1 ZINC001007514706 1336662018 /nfs/dbraw/zinc/66/20/18/1336662018.db2.gz MSSSTLZNRRAQDJ-WBVHZDCISA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3ccc(OC)cc32)C1 ZINC001007514706 1336662020 /nfs/dbraw/zinc/66/20/20/1336662020.db2.gz MSSSTLZNRRAQDJ-WBVHZDCISA-N 1 2 348.874 3.058 20 30 EGEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)C1(F)CCCC1 ZINC001007714249 1336689574 /nfs/dbraw/zinc/68/95/74/1336689574.db2.gz WYKCDQIYUTVJKO-GOSISDBHSA-N 1 2 346.421 3.040 20 30 EGEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)C1(F)CCCC1 ZINC001007714249 1336689575 /nfs/dbraw/zinc/68/95/75/1336689575.db2.gz WYKCDQIYUTVJKO-GOSISDBHSA-N 1 2 346.421 3.040 20 30 EGEDLO CC(C)(C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1)C1CC1 ZINC001008255350 1336805192 /nfs/dbraw/zinc/80/51/92/1336805192.db2.gz MJTHZBMJTFKVOV-GOSISDBHSA-N 1 2 325.456 3.075 20 30 EGEDLO CC(C)(C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1)C1CC1 ZINC001008255350 1336805196 /nfs/dbraw/zinc/80/51/96/1336805196.db2.gz MJTHZBMJTFKVOV-GOSISDBHSA-N 1 2 325.456 3.075 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+]([C@H](C)c3ncc(C)o3)C2)CC1 ZINC001008412791 1336845494 /nfs/dbraw/zinc/84/54/94/1336845494.db2.gz TVRUJNKNDNIXHH-WBVHZDCISA-N 1 2 331.460 3.371 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@H+]([C@H](C)c3ncc(C)o3)C2)CC1 ZINC001008412791 1336845495 /nfs/dbraw/zinc/84/54/95/1336845495.db2.gz TVRUJNKNDNIXHH-WBVHZDCISA-N 1 2 331.460 3.371 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001008457864 1336860345 /nfs/dbraw/zinc/86/03/45/1336860345.db2.gz KFRUYSAAABGESJ-AYOQOUSVSA-N 1 2 325.456 3.075 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001008457864 1336860348 /nfs/dbraw/zinc/86/03/48/1336860348.db2.gz KFRUYSAAABGESJ-AYOQOUSVSA-N 1 2 325.456 3.075 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001008462487 1336862320 /nfs/dbraw/zinc/86/23/20/1336862320.db2.gz CTLKNUAKKUXXQE-ZJOUEHCJSA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001008462487 1336862323 /nfs/dbraw/zinc/86/23/23/1336862323.db2.gz CTLKNUAKKUXXQE-ZJOUEHCJSA-N 1 2 337.467 3.219 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001008666050 1336907068 /nfs/dbraw/zinc/90/70/68/1336907068.db2.gz LVAFTPMBSBUOLQ-QZTJIDSGSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001008666050 1336907070 /nfs/dbraw/zinc/90/70/70/1336907070.db2.gz LVAFTPMBSBUOLQ-QZTJIDSGSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccc3c2ccn3C)C1 ZINC001008875342 1336936047 /nfs/dbraw/zinc/93/60/47/1336936047.db2.gz LSFVRJRWLCHEAV-CQSZACIVSA-N 1 2 331.847 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc3c2ccn3C)C1 ZINC001008875342 1336936051 /nfs/dbraw/zinc/93/60/51/1336936051.db2.gz LSFVRJRWLCHEAV-CQSZACIVSA-N 1 2 331.847 3.125 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC001009142310 1336975908 /nfs/dbraw/zinc/97/59/08/1336975908.db2.gz FVBNIMAFVWHXOF-LJQANCHMSA-N 1 2 337.467 3.075 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC001009142310 1336975910 /nfs/dbraw/zinc/97/59/10/1336975910.db2.gz FVBNIMAFVWHXOF-LJQANCHMSA-N 1 2 337.467 3.075 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC3(CCC3)CO2)C1 ZINC001009295667 1337000218 /nfs/dbraw/zinc/00/02/18/1337000218.db2.gz LOAHEBJMSJXVQG-HOTGVXAUSA-N 1 2 340.895 3.059 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC3(CCC3)CO2)C1 ZINC001009295667 1337000223 /nfs/dbraw/zinc/00/02/23/1337000223.db2.gz LOAHEBJMSJXVQG-HOTGVXAUSA-N 1 2 340.895 3.059 20 30 EGEDLO CC1(C)C(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)C1(C)C ZINC001010468019 1337201434 /nfs/dbraw/zinc/20/14/34/1337201434.db2.gz FNPAQSCRKGRTEY-HNNXBMFYSA-N 1 2 343.446 3.070 20 30 EGEDLO CC1(C)C(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)C1(C)C ZINC001010468019 1337201435 /nfs/dbraw/zinc/20/14/35/1337201435.db2.gz FNPAQSCRKGRTEY-HNNXBMFYSA-N 1 2 343.446 3.070 20 30 EGEDLO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C(F)=C3CCCC3)C2)ccc1F ZINC001010564806 1337223945 /nfs/dbraw/zinc/22/39/45/1337223945.db2.gz CNAWHDYBRXEUTN-MRXNPFEDSA-N 1 2 345.393 3.185 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(F)=C3CCCC3)C2)ccc1F ZINC001010564806 1337223947 /nfs/dbraw/zinc/22/39/47/1337223947.db2.gz CNAWHDYBRXEUTN-MRXNPFEDSA-N 1 2 345.393 3.185 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001014441474 1337778314 /nfs/dbraw/zinc/77/83/14/1337778314.db2.gz SLKAOKHUXZZESG-APWZRJJASA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001014441474 1337778317 /nfs/dbraw/zinc/77/83/17/1337778317.db2.gz SLKAOKHUXZZESG-APWZRJJASA-N 1 2 337.467 3.219 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)c(C(F)F)c2)C1 ZINC001014478279 1337792551 /nfs/dbraw/zinc/79/25/51/1337792551.db2.gz NMNMSMAPRPLBGA-LLVKDONJSA-N 1 2 332.753 3.320 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(F)c(C(F)F)c2)C1 ZINC001014478279 1337792548 /nfs/dbraw/zinc/79/25/48/1337792548.db2.gz NMNMSMAPRPLBGA-LLVKDONJSA-N 1 2 332.753 3.320 20 30 EGEDLO CC(C)c1cccc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)n1 ZINC001015135667 1338028190 /nfs/dbraw/zinc/02/81/90/1338028190.db2.gz FRZLQEHEVVCEBW-LJQANCHMSA-N 1 2 347.462 3.061 20 30 EGEDLO CC(C)c1cccc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)n1 ZINC001015135667 1338028194 /nfs/dbraw/zinc/02/81/94/1338028194.db2.gz FRZLQEHEVVCEBW-LJQANCHMSA-N 1 2 347.462 3.061 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC001015420700 1338133654 /nfs/dbraw/zinc/13/36/54/1338133654.db2.gz FBSGYXBVPLDUAT-IBGZPJMESA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC001015420700 1338133656 /nfs/dbraw/zinc/13/36/56/1338133656.db2.gz FBSGYXBVPLDUAT-IBGZPJMESA-N 1 2 337.467 3.219 20 30 EGEDLO Cc1cocc1C(=O)N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001015524649 1338167449 /nfs/dbraw/zinc/16/74/49/1338167449.db2.gz VUVBBMGOVKJTNH-KRWDZBQOSA-N 1 2 342.826 3.097 20 30 EGEDLO Cc1cocc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001015524649 1338167451 /nfs/dbraw/zinc/16/74/51/1338167451.db2.gz VUVBBMGOVKJTNH-KRWDZBQOSA-N 1 2 342.826 3.097 20 30 EGEDLO CC1(C)CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001015558722 1338180819 /nfs/dbraw/zinc/18/08/19/1338180819.db2.gz VLWORQGGXKNWDN-IAGOWNOFSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001015558722 1338180820 /nfs/dbraw/zinc/18/08/20/1338180820.db2.gz VLWORQGGXKNWDN-IAGOWNOFSA-N 1 2 343.446 3.214 20 30 EGEDLO CC(C)(C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)C1CC1 ZINC001015562601 1338182893 /nfs/dbraw/zinc/18/28/93/1338182893.db2.gz DSQSOFLBHIFBGS-GOSISDBHSA-N 1 2 344.886 3.318 20 30 EGEDLO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)C1CC1 ZINC001015562601 1338182897 /nfs/dbraw/zinc/18/28/97/1338182897.db2.gz DSQSOFLBHIFBGS-GOSISDBHSA-N 1 2 344.886 3.318 20 30 EGEDLO CC1(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)CCCCC1 ZINC001015650192 1338229710 /nfs/dbraw/zinc/22/97/10/1338229710.db2.gz MDDCWWKJIFTJFT-LJQANCHMSA-N 1 2 342.458 3.338 20 30 EGEDLO CC1(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)CCCCC1 ZINC001015650192 1338229712 /nfs/dbraw/zinc/22/97/12/1338229712.db2.gz MDDCWWKJIFTJFT-LJQANCHMSA-N 1 2 342.458 3.338 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3ccccc3)nc2)C1 ZINC001015893320 1338350937 /nfs/dbraw/zinc/35/09/37/1338350937.db2.gz JZLHMEPSISBFSB-QGZVFWFLSA-N 1 2 341.842 3.305 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3ccccc3)nc2)C1 ZINC001015893320 1338350940 /nfs/dbraw/zinc/35/09/40/1338350940.db2.gz JZLHMEPSISBFSB-QGZVFWFLSA-N 1 2 341.842 3.305 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(c3ccccc3F)CCC2)C1 ZINC001015978672 1338389315 /nfs/dbraw/zinc/38/93/15/1338389315.db2.gz LQBALGXUWWGKFB-AWEZNQCLSA-N 1 2 336.838 3.190 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(c3ccccc3F)CCC2)C1 ZINC001015978672 1338389317 /nfs/dbraw/zinc/38/93/17/1338389317.db2.gz LQBALGXUWWGKFB-AWEZNQCLSA-N 1 2 336.838 3.190 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(COC(C)C)cc2)C1 ZINC001016229924 1338518329 /nfs/dbraw/zinc/51/83/29/1338518329.db2.gz QHRSIHPTATYBDM-KRWDZBQOSA-N 1 2 336.863 3.168 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(COC(C)C)cc2)C1 ZINC001016229924 1338518334 /nfs/dbraw/zinc/51/83/34/1338518334.db2.gz QHRSIHPTATYBDM-KRWDZBQOSA-N 1 2 336.863 3.168 20 30 EGEDLO CC1(C)CCC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001016361898 1338566470 /nfs/dbraw/zinc/56/64/70/1338566470.db2.gz IRVUHPOZDHAFGC-LPHOPBHVSA-N 1 2 339.483 3.465 20 30 EGEDLO CC1(C)CCC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001016361898 1338566473 /nfs/dbraw/zinc/56/64/73/1338566473.db2.gz IRVUHPOZDHAFGC-LPHOPBHVSA-N 1 2 339.483 3.465 20 30 EGEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1oc2c(cccc2F)c1C ZINC001017621029 1339378176 /nfs/dbraw/zinc/37/81/76/1339378176.db2.gz JXZOPRMRSKUZPC-OKILXGFUSA-N 1 2 328.387 3.355 20 30 EGEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1oc2c(cccc2F)c1C ZINC001017621029 1339378177 /nfs/dbraw/zinc/37/81/77/1339378177.db2.gz JXZOPRMRSKUZPC-OKILXGFUSA-N 1 2 328.387 3.355 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(-c2ccoc2)c1 ZINC001018155534 1339517468 /nfs/dbraw/zinc/51/74/68/1339517468.db2.gz GKKMANYGTHYHEH-BGYRXZFFSA-N 1 2 334.419 3.259 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(-c2ccoc2)c1 ZINC001018155534 1339517471 /nfs/dbraw/zinc/51/74/71/1339517471.db2.gz GKKMANYGTHYHEH-BGYRXZFFSA-N 1 2 334.419 3.259 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)C1CCC(=C)CC1 ZINC001028114864 1340435911 /nfs/dbraw/zinc/43/59/11/1340435911.db2.gz RCLKHXGUQHUOPH-HNNXBMFYSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)C1CCC(=C)CC1 ZINC001028114864 1340435914 /nfs/dbraw/zinc/43/59/14/1340435914.db2.gz RCLKHXGUQHUOPH-HNNXBMFYSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)[C@@H](C)CO2 ZINC001028092934 1340421557 /nfs/dbraw/zinc/42/15/57/1340421557.db2.gz ZLAHPQVWAMNSMW-SWLSCSKDSA-N 1 2 334.847 3.129 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)[C@@H](C)CO2 ZINC001028092934 1340421559 /nfs/dbraw/zinc/42/15/59/1340421559.db2.gz ZLAHPQVWAMNSMW-SWLSCSKDSA-N 1 2 334.847 3.129 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2cccc(OC)c21 ZINC001028184121 1340473591 /nfs/dbraw/zinc/47/35/91/1340473591.db2.gz HSTJCQJUKCUCLZ-HZPDHXFCSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2cccc(OC)c21 ZINC001028184121 1340473594 /nfs/dbraw/zinc/47/35/94/1340473594.db2.gz HSTJCQJUKCUCLZ-HZPDHXFCSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001028197560 1340480309 /nfs/dbraw/zinc/48/03/09/1340480309.db2.gz LRGKDQBEZGFLME-RYQLBKOJSA-N 1 2 332.875 3.432 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001028197560 1340480311 /nfs/dbraw/zinc/48/03/11/1340480311.db2.gz LRGKDQBEZGFLME-RYQLBKOJSA-N 1 2 332.875 3.432 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1OC(C)C ZINC001028276577 1340529020 /nfs/dbraw/zinc/52/90/20/1340529020.db2.gz KRLUQRPQQLVNPI-OAHLLOKOSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1OC(C)C ZINC001028276577 1340529024 /nfs/dbraw/zinc/52/90/24/1340529024.db2.gz KRLUQRPQQLVNPI-OAHLLOKOSA-N 1 2 336.863 3.421 20 30 EGEDLO O=C(CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001029186007 1340950581 /nfs/dbraw/zinc/95/05/81/1340950581.db2.gz QROJDLGQCGRFCI-KDURUIRLSA-N 1 2 342.870 3.167 20 30 EGEDLO O=C(CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001029186007 1340950582 /nfs/dbraw/zinc/95/05/82/1340950582.db2.gz QROJDLGQCGRFCI-KDURUIRLSA-N 1 2 342.870 3.167 20 30 EGEDLO CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001029187942 1340951093 /nfs/dbraw/zinc/95/10/93/1340951093.db2.gz OMTABOZVIOMOOZ-HDICACEKSA-N 1 2 330.859 3.167 20 30 EGEDLO CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001029187942 1340951095 /nfs/dbraw/zinc/95/10/95/1340951095.db2.gz OMTABOZVIOMOOZ-HDICACEKSA-N 1 2 330.859 3.167 20 30 EGEDLO C[C@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029197745 1340952999 /nfs/dbraw/zinc/95/29/99/1340952999.db2.gz FBUPAMHOJAOUEV-WQANXHIZSA-N 1 2 342.870 3.023 20 30 EGEDLO C[C@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029197745 1340953003 /nfs/dbraw/zinc/95/30/03/1340953003.db2.gz FBUPAMHOJAOUEV-WQANXHIZSA-N 1 2 342.870 3.023 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001029453756 1340993744 /nfs/dbraw/zinc/99/37/44/1340993744.db2.gz KDZDYUDDCXRTBV-ZVDOUQERSA-N 1 2 337.467 3.336 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001029453756 1340993746 /nfs/dbraw/zinc/99/37/46/1340993746.db2.gz KDZDYUDDCXRTBV-ZVDOUQERSA-N 1 2 337.467 3.336 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029463116 1340996016 /nfs/dbraw/zinc/99/60/16/1340996016.db2.gz RMZNNKIDBZBPFO-ZXFNITATSA-N 1 2 343.496 3.231 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029463116 1340996017 /nfs/dbraw/zinc/99/60/17/1340996017.db2.gz RMZNNKIDBZBPFO-ZXFNITATSA-N 1 2 343.496 3.231 20 30 EGEDLO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N)C(C)(F)F ZINC001029477618 1340998119 /nfs/dbraw/zinc/99/81/19/1340998119.db2.gz KBBQGASERGBBGO-RRQGHBQHSA-N 1 2 347.409 3.025 20 30 EGEDLO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N)C(C)(F)F ZINC001029477618 1340998120 /nfs/dbraw/zinc/99/81/20/1340998120.db2.gz KBBQGASERGBBGO-RRQGHBQHSA-N 1 2 347.409 3.025 20 30 EGEDLO CC(C)[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029499281 1341001213 /nfs/dbraw/zinc/00/12/13/1341001213.db2.gz FFNQJHUYKVXWGD-SOUVJXGZSA-N 1 2 331.485 3.087 20 30 EGEDLO CC(C)[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029499281 1341001214 /nfs/dbraw/zinc/00/12/14/1341001214.db2.gz FFNQJHUYKVXWGD-SOUVJXGZSA-N 1 2 331.485 3.087 20 30 EGEDLO C=CCOc1ccc(C(=O)NC2C[NH+](Cc3ccccc3C)C2)cc1 ZINC001030541499 1341196174 /nfs/dbraw/zinc/19/61/74/1341196174.db2.gz QJAYZZJXGRWPFM-UHFFFAOYSA-N 1 2 336.435 3.174 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]2c2ccccc2)C1 ZINC001031836756 1341409536 /nfs/dbraw/zinc/40/95/36/1341409536.db2.gz QHRHPJLMUWDQDR-ZWKOTPCHSA-N 1 2 332.875 3.371 20 30 EGEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3ccc(Cl)s3)C2)cc1 ZINC001031892000 1341417557 /nfs/dbraw/zinc/41/75/57/1341417557.db2.gz ILGHLDRGRBPIEB-UHFFFAOYSA-N 1 2 344.867 3.245 20 30 EGEDLO C[C@@H]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031942188 1341428140 /nfs/dbraw/zinc/42/81/40/1341428140.db2.gz XSTBXADPUWEWDO-RDTXWAMCSA-N 1 2 343.446 3.072 20 30 EGEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccoc2C2CC2)cc1 ZINC001032590321 1341550344 /nfs/dbraw/zinc/55/03/44/1341550344.db2.gz YEKUXWYAORFSPR-ROUUACIJSA-N 1 2 347.418 3.128 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccoc2C2CC2)cc1 ZINC001032590321 1341550345 /nfs/dbraw/zinc/55/03/45/1341550345.db2.gz YEKUXWYAORFSPR-ROUUACIJSA-N 1 2 347.418 3.128 20 30 EGEDLO Cc1cccc(F)c1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032816806 1341625873 /nfs/dbraw/zinc/62/58/73/1341625873.db2.gz DHTOLMKPBHCRNR-ROUUACIJSA-N 1 2 349.409 3.105 20 30 EGEDLO Cc1cccc(F)c1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032816806 1341625874 /nfs/dbraw/zinc/62/58/74/1341625874.db2.gz DHTOLMKPBHCRNR-ROUUACIJSA-N 1 2 349.409 3.105 20 30 EGEDLO CN(C(=O)c1ccsc1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032887968 1341652477 /nfs/dbraw/zinc/65/24/77/1341652477.db2.gz ILTBNCRTHWFQKF-INIZCTEOSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C(=O)c1ccsc1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032887968 1341652479 /nfs/dbraw/zinc/65/24/79/1341652479.db2.gz ILTBNCRTHWFQKF-INIZCTEOSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C(=O)c1sccc1F)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033057476 1341710557 /nfs/dbraw/zinc/71/05/57/1341710557.db2.gz KDGCEXOMABEATQ-HNNXBMFYSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C(=O)c1sccc1F)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033057476 1341710559 /nfs/dbraw/zinc/71/05/59/1341710559.db2.gz KDGCEXOMABEATQ-HNNXBMFYSA-N 1 2 343.427 3.105 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2coc3c2cccc3OC)C1 ZINC001033084466 1341718826 /nfs/dbraw/zinc/71/88/26/1341718826.db2.gz CQJSGNCCGHFUGE-CYBMUJFWSA-N 1 2 348.830 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2coc3c2cccc3OC)C1 ZINC001033084466 1341718828 /nfs/dbraw/zinc/71/88/28/1341718828.db2.gz CQJSGNCCGHFUGE-CYBMUJFWSA-N 1 2 348.830 3.340 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2nsc3ccccc32)C1 ZINC001033105957 1341725610 /nfs/dbraw/zinc/72/56/10/1341725610.db2.gz KAXXNWUMPIJGMF-LBPRGKRZSA-N 1 2 335.860 3.195 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2nsc3ccccc32)C1 ZINC001033105957 1341725611 /nfs/dbraw/zinc/72/56/11/1341725611.db2.gz KAXXNWUMPIJGMF-LBPRGKRZSA-N 1 2 335.860 3.195 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2nccc3ccsc32)C1 ZINC001033163931 1341741974 /nfs/dbraw/zinc/74/19/74/1341741974.db2.gz WBDBTSFBCXNGGU-CYBMUJFWSA-N 1 2 335.860 3.195 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2nccc3ccsc32)C1 ZINC001033163931 1341741978 /nfs/dbraw/zinc/74/19/78/1341741978.db2.gz WBDBTSFBCXNGGU-CYBMUJFWSA-N 1 2 335.860 3.195 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2coc3cc(F)ccc23)C1 ZINC001033203866 1341751737 /nfs/dbraw/zinc/75/17/37/1341751737.db2.gz PMZNJJFVHSVFNG-CYBMUJFWSA-N 1 2 336.794 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2coc3cc(F)ccc23)C1 ZINC001033203866 1341751738 /nfs/dbraw/zinc/75/17/38/1341751738.db2.gz PMZNJJFVHSVFNG-CYBMUJFWSA-N 1 2 336.794 3.471 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2(c3ccccc3)CCC2)C1 ZINC001033254119 1341759246 /nfs/dbraw/zinc/75/92/46/1341759246.db2.gz QNPRSCLSZSWTNG-QGZVFWFLSA-N 1 2 332.875 3.394 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(c3ccccc3)CCC2)C1 ZINC001033254119 1341759248 /nfs/dbraw/zinc/75/92/48/1341759248.db2.gz QNPRSCLSZSWTNG-QGZVFWFLSA-N 1 2 332.875 3.394 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)c2c(F)cccc2F)C1 ZINC001033268712 1341764013 /nfs/dbraw/zinc/76/40/13/1341764013.db2.gz BMGGFJYUJHUHKC-CHWSQXEVSA-N 1 2 342.817 3.354 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)c2c(F)cccc2F)C1 ZINC001033268712 1341764014 /nfs/dbraw/zinc/76/40/14/1341764014.db2.gz BMGGFJYUJHUHKC-CHWSQXEVSA-N 1 2 342.817 3.354 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(F)c(Cl)c2)C1 ZINC001033383208 1341804785 /nfs/dbraw/zinc/80/47/85/1341804785.db2.gz ICHIYXRQONZONX-GFCCVEGCSA-N 1 2 331.218 3.378 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(F)c(Cl)c2)C1 ZINC001033383208 1341804786 /nfs/dbraw/zinc/80/47/86/1341804786.db2.gz ICHIYXRQONZONX-GFCCVEGCSA-N 1 2 331.218 3.378 20 30 EGEDLO CN(C(=O)[C@H]1CCC1(C)C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033349309 1341791349 /nfs/dbraw/zinc/79/13/49/1341791349.db2.gz IDTXKCHCZLQYDJ-QZTJIDSGSA-N 1 2 343.446 3.166 20 30 EGEDLO CN(C(=O)[C@H]1CCC1(C)C)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033349309 1341791352 /nfs/dbraw/zinc/79/13/52/1341791352.db2.gz IDTXKCHCZLQYDJ-QZTJIDSGSA-N 1 2 343.446 3.166 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)CC2CC(C)(C)C2)C1 ZINC001033354826 1341794030 /nfs/dbraw/zinc/79/40/30/1341794030.db2.gz FSGYHIJFWUPHGF-CQSZACIVSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)CC2CC(C)(C)C2)C1 ZINC001033354826 1341794031 /nfs/dbraw/zinc/79/40/31/1341794031.db2.gz FSGYHIJFWUPHGF-CQSZACIVSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@H+](Cc3nc(C)c(C)o3)C2)CC1 ZINC001033388892 1341808212 /nfs/dbraw/zinc/80/82/12/1341808212.db2.gz GJGCCGMCDCAWNZ-QGZVFWFLSA-N 1 2 331.460 3.071 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3nc(C)c(C)o3)C2)CC1 ZINC001033388892 1341808214 /nfs/dbraw/zinc/80/82/14/1341808214.db2.gz GJGCCGMCDCAWNZ-QGZVFWFLSA-N 1 2 331.460 3.071 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(F)cc3cccnc32)C1 ZINC001033469478 1341838928 /nfs/dbraw/zinc/83/89/28/1341838928.db2.gz NFDBKPLZJOWCJE-HNNXBMFYSA-N 1 2 347.821 3.273 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(F)cc3cccnc32)C1 ZINC001033469478 1341838930 /nfs/dbraw/zinc/83/89/30/1341838930.db2.gz NFDBKPLZJOWCJE-HNNXBMFYSA-N 1 2 347.821 3.273 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3cccc(OC)c32)C1 ZINC001033487480 1341843538 /nfs/dbraw/zinc/84/35/38/1341843538.db2.gz HGYFYYGJSVEGTE-HOTGVXAUSA-N 1 2 348.874 3.010 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3cccc(OC)c32)C1 ZINC001033487480 1341843539 /nfs/dbraw/zinc/84/35/39/1341843539.db2.gz HGYFYYGJSVEGTE-HOTGVXAUSA-N 1 2 348.874 3.010 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCc3ccccc32)C1 ZINC001033517868 1341855227 /nfs/dbraw/zinc/85/52/27/1341855227.db2.gz IMXAALFJZKFSKJ-SJORKVTESA-N 1 2 332.875 3.392 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCc3ccccc32)C1 ZINC001033517868 1341855229 /nfs/dbraw/zinc/85/52/29/1341855229.db2.gz IMXAALFJZKFSKJ-SJORKVTESA-N 1 2 332.875 3.392 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cncc3ccccc32)C1 ZINC001033681627 1341948062 /nfs/dbraw/zinc/94/80/62/1341948062.db2.gz VMPKNMWHICXJSV-HNNXBMFYSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cncc3ccccc32)C1 ZINC001033681627 1341948066 /nfs/dbraw/zinc/94/80/66/1341948066.db2.gz VMPKNMWHICXJSV-HNNXBMFYSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)n(CC)c2C)C1 ZINC001033889108 1342062077 /nfs/dbraw/zinc/06/20/77/1342062077.db2.gz VLZVLKMKINGWBW-MRXNPFEDSA-N 1 2 337.895 3.414 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)n(CC)c2C)C1 ZINC001033889108 1342062080 /nfs/dbraw/zinc/06/20/80/1342062080.db2.gz VLZVLKMKINGWBW-MRXNPFEDSA-N 1 2 337.895 3.414 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cccc3c2O[C@H](C)C3)C1 ZINC001033901392 1342073344 /nfs/dbraw/zinc/07/33/44/1342073344.db2.gz BMBWZHPAWXWSMK-ZBFHGGJFSA-N 1 2 348.874 3.299 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc3c2O[C@H](C)C3)C1 ZINC001033901392 1342073349 /nfs/dbraw/zinc/07/33/49/1342073349.db2.gz BMBWZHPAWXWSMK-ZBFHGGJFSA-N 1 2 348.874 3.299 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](Cc3coc(C)n3)C2)CC1 ZINC001033946737 1342107290 /nfs/dbraw/zinc/10/72/90/1342107290.db2.gz WRTNVRIPEMFLLL-GOSISDBHSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](Cc3coc(C)n3)C2)CC1 ZINC001033946737 1342107292 /nfs/dbraw/zinc/10/72/92/1342107292.db2.gz WRTNVRIPEMFLLL-GOSISDBHSA-N 1 2 331.460 3.152 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033959489 1342113863 /nfs/dbraw/zinc/11/38/63/1342113863.db2.gz CVQTWTXBZWQARY-NIKGAXFTSA-N 1 2 343.446 3.166 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033959489 1342113865 /nfs/dbraw/zinc/11/38/65/1342113865.db2.gz CVQTWTXBZWQARY-NIKGAXFTSA-N 1 2 343.446 3.166 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3c(c2)C[C@@H](C)O3)C1 ZINC001033991017 1342133964 /nfs/dbraw/zinc/13/39/64/1342133964.db2.gz DCVLZGWKDWDDSZ-PBHICJAKSA-N 1 2 348.874 3.299 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3c(c2)C[C@@H](C)O3)C1 ZINC001033991017 1342133966 /nfs/dbraw/zinc/13/39/66/1342133966.db2.gz DCVLZGWKDWDDSZ-PBHICJAKSA-N 1 2 348.874 3.299 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H](NC(=O)c2cccs2)C1 ZINC001034082842 1342220497 /nfs/dbraw/zinc/22/04/97/1342220497.db2.gz AAGIHBQSWSEQIN-KRWDZBQOSA-N 1 2 339.464 3.404 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H](NC(=O)c2cccs2)C1 ZINC001034082842 1342220499 /nfs/dbraw/zinc/22/04/99/1342220499.db2.gz AAGIHBQSWSEQIN-KRWDZBQOSA-N 1 2 339.464 3.404 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@@H+](Cc3csc(C)n3)C2)C1 ZINC001034387921 1342456741 /nfs/dbraw/zinc/45/67/41/1342456741.db2.gz XVTLZJQSVCZOIF-HNNXBMFYSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@H+](Cc3csc(C)n3)C2)C1 ZINC001034387921 1342456743 /nfs/dbraw/zinc/45/67/43/1342456743.db2.gz XVTLZJQSVCZOIF-HNNXBMFYSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2c(F)cccc2F)C1 ZINC001034500300 1342557628 /nfs/dbraw/zinc/55/76/28/1342557628.db2.gz JRKXTCVDAHTKRG-GFCCVEGCSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2c(F)cccc2F)C1 ZINC001034500300 1342557630 /nfs/dbraw/zinc/55/76/30/1342557630.db2.gz JRKXTCVDAHTKRG-GFCCVEGCSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2csc(C3CC3)n2)C1 ZINC001034547096 1342609609 /nfs/dbraw/zinc/60/96/09/1342609609.db2.gz GHEZOTKWCRLYQZ-ZDUSSCGKSA-N 1 2 339.892 3.357 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2csc(C3CC3)n2)C1 ZINC001034547096 1342609612 /nfs/dbraw/zinc/60/96/12/1342609612.db2.gz GHEZOTKWCRLYQZ-ZDUSSCGKSA-N 1 2 339.892 3.357 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2sc3ccccc3c2C)C1 ZINC001035437435 1343092405 /nfs/dbraw/zinc/09/24/05/1343092405.db2.gz HMZBDMUAWXGRNX-OAHLLOKOSA-N 1 2 344.480 3.216 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2sc3ccccc3c2C)C1 ZINC001035437435 1343092409 /nfs/dbraw/zinc/09/24/09/1343092409.db2.gz HMZBDMUAWXGRNX-OAHLLOKOSA-N 1 2 344.480 3.216 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c(Cl)cccc2Cl)C1 ZINC001035592017 1343095131 /nfs/dbraw/zinc/09/51/31/1343095131.db2.gz ZSVDUKWJZJZFSU-LBPRGKRZSA-N 1 2 343.254 3.000 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2c(Cl)cccc2Cl)C1 ZINC001035592017 1343095135 /nfs/dbraw/zinc/09/51/35/1343095135.db2.gz ZSVDUKWJZJZFSU-LBPRGKRZSA-N 1 2 343.254 3.000 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]1C(F)F)CC2 ZINC001035720303 1343151623 /nfs/dbraw/zinc/15/16/23/1343151623.db2.gz HNUFNXXKAGZNPC-KBPBESRZSA-N 1 2 346.849 3.345 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1Cc3ccccc31)CC2 ZINC001035778704 1343189430 /nfs/dbraw/zinc/18/94/30/1343189430.db2.gz GLCVMXKUZOXUAI-KRWDZBQOSA-N 1 2 330.859 3.003 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC2(C[NH+](Cc3nc(C)oc3C)C2)CC1 ZINC001035786716 1343198327 /nfs/dbraw/zinc/19/83/27/1343198327.db2.gz HZEPVRLRTKBHRF-IBGZPJMESA-N 1 2 345.487 3.318 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[C@@H]1c1ccccc1)CC2 ZINC001035814860 1343212802 /nfs/dbraw/zinc/21/28/02/1343212802.db2.gz VBGXQBPUFMLAIB-MSOLQXFVSA-N 1 2 344.886 3.467 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccccc1OCC)CC2 ZINC001035845059 1343226314 /nfs/dbraw/zinc/22/63/14/1343226314.db2.gz WZKDTBILWACGBU-UHFFFAOYSA-N 1 2 348.874 3.376 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)CCc1cccs1)CC2 ZINC001035849197 1343228727 /nfs/dbraw/zinc/22/87/27/1343228727.db2.gz RCYFGHCLNPUYHE-UHFFFAOYSA-N 1 2 338.904 3.358 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1c(C)nsc1C)CC2 ZINC001035859296 1343235012 /nfs/dbraw/zinc/23/50/12/1343235012.db2.gz VQIOSZAFMWRFIG-UHFFFAOYSA-N 1 2 339.892 3.050 20 30 EGEDLO C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038140856 1344294769 /nfs/dbraw/zinc/29/47/69/1344294769.db2.gz RKPQHPWYQGEGSJ-WBMJQRKESA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038140856 1344294771 /nfs/dbraw/zinc/29/47/71/1344294771.db2.gz RKPQHPWYQGEGSJ-WBMJQRKESA-N 1 2 342.830 3.105 20 30 EGEDLO Cc1scc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)c1C ZINC001038287931 1344360234 /nfs/dbraw/zinc/36/02/34/1344360234.db2.gz RUJNTUMVJKLCHK-QGZVFWFLSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1scc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)c1C ZINC001038287931 1344360238 /nfs/dbraw/zinc/36/02/38/1344360238.db2.gz RUJNTUMVJKLCHK-QGZVFWFLSA-N 1 2 339.464 3.241 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@H+]1Cc1cc(C)ccc1F ZINC001038343920 1344388141 /nfs/dbraw/zinc/38/81/41/1344388141.db2.gz DBYIBXWEYVMLCA-KRWDZBQOSA-N 1 2 341.430 3.126 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cc(C)ccc1F ZINC001038343920 1344388144 /nfs/dbraw/zinc/38/81/44/1344388144.db2.gz DBYIBXWEYVMLCA-KRWDZBQOSA-N 1 2 341.430 3.126 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)c(F)c2)CC1 ZINC001038662720 1344528047 /nfs/dbraw/zinc/52/80/47/1344528047.db2.gz UKMCDAWIFJGMRN-GOSISDBHSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)c(F)c2)CC1 ZINC001038662720 1344528049 /nfs/dbraw/zinc/52/80/49/1344528049.db2.gz UKMCDAWIFJGMRN-GOSISDBHSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc(Cl)cs2)cc1 ZINC001038769528 1344576622 /nfs/dbraw/zinc/57/66/22/1344576622.db2.gz XGHUPITZCFDNDI-HNNXBMFYSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc(Cl)cs2)cc1 ZINC001038769528 1344576626 /nfs/dbraw/zinc/57/66/26/1344576626.db2.gz XGHUPITZCFDNDI-HNNXBMFYSA-N 1 2 345.855 3.277 20 30 EGEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1C[C@H]1c1ccccc1 ZINC001038927740 1344657175 /nfs/dbraw/zinc/65/71/75/1344657175.db2.gz AZFIUAVUPHWHLJ-FDFHNCONSA-N 1 2 344.458 3.032 20 30 EGEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1C[C@H]1c1ccccc1 ZINC001038927740 1344657178 /nfs/dbraw/zinc/65/71/78/1344657178.db2.gz AZFIUAVUPHWHLJ-FDFHNCONSA-N 1 2 344.458 3.032 20 30 EGEDLO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)cc1C ZINC001038986762 1344698575 /nfs/dbraw/zinc/69/85/75/1344698575.db2.gz OWRCCALCKDFCLG-MRXNPFEDSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)cc1C ZINC001038986762 1344698578 /nfs/dbraw/zinc/69/85/78/1344698578.db2.gz OWRCCALCKDFCLG-MRXNPFEDSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)sc1C ZINC001039004599 1344711014 /nfs/dbraw/zinc/71/10/14/1344711014.db2.gz GRRSCQZWLUHNON-KRWDZBQOSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1cc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)sc1C ZINC001039004599 1344711017 /nfs/dbraw/zinc/71/10/17/1344711017.db2.gz GRRSCQZWLUHNON-KRWDZBQOSA-N 1 2 339.464 3.241 20 30 EGEDLO C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001039131452 1344809168 /nfs/dbraw/zinc/80/91/68/1344809168.db2.gz MLAYQIVRRGOOAZ-ZIAGYGMSSA-N 1 2 336.373 3.023 20 30 EGEDLO C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001039131452 1344809175 /nfs/dbraw/zinc/80/91/75/1344809175.db2.gz MLAYQIVRRGOOAZ-ZIAGYGMSSA-N 1 2 336.373 3.023 20 30 EGEDLO C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)C1 ZINC001039131452 1344809178 /nfs/dbraw/zinc/80/91/78/1344809178.db2.gz MLAYQIVRRGOOAZ-ZIAGYGMSSA-N 1 2 336.373 3.023 20 30 EGEDLO C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)C1 ZINC001039131452 1344809181 /nfs/dbraw/zinc/80/91/81/1344809181.db2.gz MLAYQIVRRGOOAZ-ZIAGYGMSSA-N 1 2 336.373 3.023 20 30 EGEDLO CC1(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cccc(C#N)c2)CC=CC1 ZINC001039894707 1345237654 /nfs/dbraw/zinc/23/76/54/1345237654.db2.gz ZGSNHSUGBAOAQL-BGYRXZFFSA-N 1 2 349.478 3.480 20 30 EGEDLO CC1(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cccc(C#N)c2)CC=CC1 ZINC001039894707 1345237657 /nfs/dbraw/zinc/23/76/57/1345237657.db2.gz ZGSNHSUGBAOAQL-BGYRXZFFSA-N 1 2 349.478 3.480 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@@H](C)[C@](C)(CNc3cc[nH+]c(C)n3)C2)CC1 ZINC001040349772 1345448001 /nfs/dbraw/zinc/44/80/01/1345448001.db2.gz LQWFWXHWPQUXHE-FOIQADDNSA-N 1 2 342.487 3.428 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]c(C)n3)C23CCC3)CC1 ZINC001041613157 1345794337 /nfs/dbraw/zinc/79/43/37/1345794337.db2.gz UZTXRDNJKHIHKK-SJORKVTESA-N 1 2 340.471 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3conc3C(C)C)C[C@@H]21 ZINC001042090079 1345941202 /nfs/dbraw/zinc/94/12/02/1345941202.db2.gz IMXBVUYASLJHOJ-HIFRSBDPSA-N 1 2 337.851 3.087 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3conc3C(C)C)C[C@@H]21 ZINC001042090079 1345941204 /nfs/dbraw/zinc/94/12/04/1345941204.db2.gz IMXBVUYASLJHOJ-HIFRSBDPSA-N 1 2 337.851 3.087 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1C[NH2+]Cc1nc(C2CCC2)no1 ZINC001045185746 1346520625 /nfs/dbraw/zinc/52/06/25/1346520625.db2.gz KYMZGAFOYREYCU-KXBFYZLASA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)c2occc2C)CC1 ZINC001045363518 1346574004 /nfs/dbraw/zinc/57/40/04/1346574004.db2.gz JSVCETNBPVIFFL-UHFFFAOYSA-N 1 2 341.249 3.081 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)c2cocc2C)CC1 ZINC001045522854 1346616477 /nfs/dbraw/zinc/61/64/77/1346616477.db2.gz YMRDXHNLTGPDOP-UHFFFAOYSA-N 1 2 341.249 3.081 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2coc3c2cccc3OC)C1 ZINC001046319029 1346933743 /nfs/dbraw/zinc/93/37/43/1346933743.db2.gz OOWNWEOYBLSHHM-SFHVURJKSA-N 1 2 348.830 3.388 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2coc3c2cccc3OC)C1 ZINC001046319029 1346933744 /nfs/dbraw/zinc/93/37/44/1346933744.db2.gz OOWNWEOYBLSHHM-SFHVURJKSA-N 1 2 348.830 3.388 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cccc3ccc(C)nc32)C1 ZINC001046411936 1346966203 /nfs/dbraw/zinc/96/62/03/1346966203.db2.gz ZSYGDWGJPQOQED-IBGZPJMESA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cccc3ccc(C)nc32)C1 ZINC001046411936 1346966207 /nfs/dbraw/zinc/96/62/07/1346966207.db2.gz ZSYGDWGJPQOQED-IBGZPJMESA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cncc3sccc32)C1 ZINC001046570951 1347022307 /nfs/dbraw/zinc/02/23/07/1347022307.db2.gz IHCZKSJLEJZMBZ-INIZCTEOSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cncc3sccc32)C1 ZINC001046570951 1347022309 /nfs/dbraw/zinc/02/23/09/1347022309.db2.gz IHCZKSJLEJZMBZ-INIZCTEOSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc3cccc(OC)c3o2)C1 ZINC001046585404 1347026496 /nfs/dbraw/zinc/02/64/96/1347026496.db2.gz JFHMYARHZQIRGM-SFHVURJKSA-N 1 2 348.830 3.388 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc3cccc(OC)c3o2)C1 ZINC001046585404 1347026497 /nfs/dbraw/zinc/02/64/97/1347026497.db2.gz JFHMYARHZQIRGM-SFHVURJKSA-N 1 2 348.830 3.388 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001046655752 1347051777 /nfs/dbraw/zinc/05/17/77/1347051777.db2.gz AGJYYMIIXZMIAA-PKOBYXMFSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001046655752 1347051778 /nfs/dbraw/zinc/05/17/78/1347051778.db2.gz AGJYYMIIXZMIAA-PKOBYXMFSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc3ccn(C)c3c2)C1 ZINC001046754541 1347085985 /nfs/dbraw/zinc/08/59/85/1347085985.db2.gz QQCQIMFWOWNAMO-SFHVURJKSA-N 1 2 331.847 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc3ccn(C)c3c2)C1 ZINC001046754541 1347085989 /nfs/dbraw/zinc/08/59/89/1347085989.db2.gz QQCQIMFWOWNAMO-SFHVURJKSA-N 1 2 331.847 3.125 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)C2CCC(C(F)F)CC2)C1 ZINC001046812614 1347113842 /nfs/dbraw/zinc/11/38/42/1347113842.db2.gz XYMDUIZAZLJQBG-ZUEPYMLJSA-N 1 2 334.838 3.391 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)C2CCC(C(F)F)CC2)C1 ZINC001046812614 1347113843 /nfs/dbraw/zinc/11/38/43/1347113843.db2.gz XYMDUIZAZLJQBG-ZUEPYMLJSA-N 1 2 334.838 3.391 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(OC(C)C)cc2)C1 ZINC001046816564 1347116269 /nfs/dbraw/zinc/11/62/69/1347116269.db2.gz OAYRSWGQCIRUBV-GOSISDBHSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(OC(C)C)cc2)C1 ZINC001046816564 1347116271 /nfs/dbraw/zinc/11/62/71/1347116271.db2.gz OAYRSWGQCIRUBV-GOSISDBHSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(F)cc2)C1 ZINC001046911608 1347150451 /nfs/dbraw/zinc/15/04/51/1347150451.db2.gz FHXNSYGSAHPZQG-ZDUSSCGKSA-N 1 2 346.780 3.265 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(F)cc2)C1 ZINC001046911608 1347150452 /nfs/dbraw/zinc/15/04/52/1347150452.db2.gz FHXNSYGSAHPZQG-ZDUSSCGKSA-N 1 2 346.780 3.265 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001046981440 1347175815 /nfs/dbraw/zinc/17/58/15/1347175815.db2.gz ZWAZCQVIOUDSDU-QLFBSQMISA-N 1 2 346.849 3.249 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001046981440 1347175816 /nfs/dbraw/zinc/17/58/16/1347175816.db2.gz ZWAZCQVIOUDSDU-QLFBSQMISA-N 1 2 346.849 3.249 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2sccc2C)C1 ZINC001079685690 1357347451 /nfs/dbraw/zinc/34/74/51/1357347451.db2.gz KBYSDOSUEYKJCU-NMFUWQPSSA-N 1 2 338.904 3.349 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2sccc2C)C1 ZINC001079685690 1357347458 /nfs/dbraw/zinc/34/74/58/1357347458.db2.gz KBYSDOSUEYKJCU-NMFUWQPSSA-N 1 2 338.904 3.349 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CCCC1 ZINC001049279694 1347767349 /nfs/dbraw/zinc/76/73/49/1347767349.db2.gz JTARPKCFBBHOQQ-CABCVRRESA-N 1 2 341.293 3.151 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CCCC1 ZINC001049279694 1347767351 /nfs/dbraw/zinc/76/73/51/1347767351.db2.gz JTARPKCFBBHOQQ-CABCVRRESA-N 1 2 341.293 3.151 20 30 EGEDLO CC1(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3Cc2cc(F)ccc2C#N)CC1 ZINC001049489886 1347874264 /nfs/dbraw/zinc/87/42/64/1347874264.db2.gz HZWLUSAUXHUREZ-ROUUACIJSA-N 1 2 341.430 3.063 20 30 EGEDLO CC1(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3Cc2cc(F)ccc2C#N)CC1 ZINC001049489886 1347874272 /nfs/dbraw/zinc/87/42/72/1347874272.db2.gz HZWLUSAUXHUREZ-ROUUACIJSA-N 1 2 341.430 3.063 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC001049514467 1347887337 /nfs/dbraw/zinc/88/73/37/1347887337.db2.gz FSAFONIJUKBCAG-UONOGXRCSA-N 1 2 348.878 3.196 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC001049514467 1347887340 /nfs/dbraw/zinc/88/73/40/1347887340.db2.gz FSAFONIJUKBCAG-UONOGXRCSA-N 1 2 348.878 3.196 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1nnc(C)s1 ZINC001049635942 1347946338 /nfs/dbraw/zinc/94/63/38/1347946338.db2.gz WYLOWBGCYIXVEK-GJZGRUSLSA-N 1 2 348.516 3.014 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1nnc(C)s1 ZINC001049635942 1347946341 /nfs/dbraw/zinc/94/63/41/1347946341.db2.gz WYLOWBGCYIXVEK-GJZGRUSLSA-N 1 2 348.516 3.014 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(C)on1 ZINC001049635462 1347946472 /nfs/dbraw/zinc/94/64/72/1347946472.db2.gz VCEWPAPXASXRBJ-IAGOWNOFSA-N 1 2 331.460 3.151 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(C)on1 ZINC001049635462 1347946473 /nfs/dbraw/zinc/94/64/73/1347946473.db2.gz VCEWPAPXASXRBJ-IAGOWNOFSA-N 1 2 331.460 3.151 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)CC ZINC001049681128 1347970231 /nfs/dbraw/zinc/97/02/31/1347970231.db2.gz MTMMLNUQYLYQCK-KBPBESRZSA-N 1 2 343.309 3.397 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)CC ZINC001049681128 1347970232 /nfs/dbraw/zinc/97/02/32/1347970232.db2.gz MTMMLNUQYLYQCK-KBPBESRZSA-N 1 2 343.309 3.397 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(C)on1 ZINC001049693879 1347976136 /nfs/dbraw/zinc/97/61/36/1347976136.db2.gz POOVVXZLASSUNS-ZHALLVOQSA-N 1 2 331.460 3.151 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(C)on1 ZINC001049693879 1347976138 /nfs/dbraw/zinc/97/61/38/1347976138.db2.gz POOVVXZLASSUNS-ZHALLVOQSA-N 1 2 331.460 3.151 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1sc(C)nc1C ZINC001049887384 1348091537 /nfs/dbraw/zinc/09/15/37/1348091537.db2.gz WLMXOZSUYCVBGM-ZIAGYGMSSA-N 1 2 339.892 3.191 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1sc(C)nc1C ZINC001049887384 1348091538 /nfs/dbraw/zinc/09/15/38/1348091538.db2.gz WLMXOZSUYCVBGM-ZIAGYGMSSA-N 1 2 339.892 3.191 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3occ4c3CCC4)[C@@H]2C1 ZINC001050104946 1348184853 /nfs/dbraw/zinc/18/48/53/1348184853.db2.gz VZOQLPSYCOXYOB-XJKSGUPXSA-N 1 2 334.847 3.057 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)c3occ4c3CCC4)[C@@H]2C1 ZINC001050104946 1348184856 /nfs/dbraw/zinc/18/48/56/1348184856.db2.gz VZOQLPSYCOXYOB-XJKSGUPXSA-N 1 2 334.847 3.057 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-c3ccncc3)o2)C1 ZINC001079847782 1357399751 /nfs/dbraw/zinc/39/97/51/1357399751.db2.gz YNGKSCVHOAVYQC-IUODEOHRSA-N 1 2 345.830 3.144 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-c3ccncc3)o2)C1 ZINC001079847782 1357399753 /nfs/dbraw/zinc/39/97/53/1357399753.db2.gz YNGKSCVHOAVYQC-IUODEOHRSA-N 1 2 345.830 3.144 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc2cc(Cl)ccc2o1 ZINC001051012596 1348383989 /nfs/dbraw/zinc/38/39/89/1348383989.db2.gz XDUWBUIBJXLCRM-OAHLLOKOSA-N 1 2 348.830 3.093 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc2cc(Cl)ccc2o1 ZINC001051012596 1348383991 /nfs/dbraw/zinc/38/39/91/1348383991.db2.gz XDUWBUIBJXLCRM-OAHLLOKOSA-N 1 2 348.830 3.093 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C2CCCC2)cc1 ZINC001051024635 1348384650 /nfs/dbraw/zinc/38/46/50/1348384650.db2.gz DKBIMWPLTQZHFS-FQEVSTJZSA-N 1 2 342.483 3.351 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C2CCCC2)cc1 ZINC001051024635 1348384652 /nfs/dbraw/zinc/38/46/52/1348384652.db2.gz DKBIMWPLTQZHFS-FQEVSTJZSA-N 1 2 342.483 3.351 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(Cl)cc(Cl)c1 ZINC001051224746 1348405932 /nfs/dbraw/zinc/40/59/32/1348405932.db2.gz ZWVQPSLMVXWALN-OAHLLOKOSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(Cl)cc(Cl)c1 ZINC001051224746 1348405935 /nfs/dbraw/zinc/40/59/35/1348405935.db2.gz ZWVQPSLMVXWALN-OAHLLOKOSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C1CCC(CCCC)CC1 ZINC001051240084 1348408224 /nfs/dbraw/zinc/40/82/24/1348408224.db2.gz LTGYNEZIQFLAQO-CTWPCTMYSA-N 1 2 336.520 3.376 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C1CCC(CCCC)CC1 ZINC001051240084 1348408225 /nfs/dbraw/zinc/40/82/25/1348408225.db2.gz LTGYNEZIQFLAQO-CTWPCTMYSA-N 1 2 336.520 3.376 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc([C@@H](C)CC)cc1 ZINC001051259019 1348410802 /nfs/dbraw/zinc/41/08/02/1348410802.db2.gz SIGNVHCFFHJELK-LPHOPBHVSA-N 1 2 330.472 3.207 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc([C@@H](C)CC)cc1 ZINC001051259019 1348410805 /nfs/dbraw/zinc/41/08/05/1348410805.db2.gz SIGNVHCFFHJELK-LPHOPBHVSA-N 1 2 330.472 3.207 20 30 EGEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)C3(CC)CCCCC3)C2)CC1 ZINC001052119309 1348503586 /nfs/dbraw/zinc/50/35/86/1348503586.db2.gz OOZGPQACICKRQO-LJQANCHMSA-N 1 2 347.547 3.142 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CC[C@H](C3CCC3)CC1)O2 ZINC001053609771 1349076372 /nfs/dbraw/zinc/07/63/72/1349076372.db2.gz DINGTFQCSVPJEJ-GUDVDZBRSA-N 1 2 346.515 3.129 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1[C@@H]3CCCCCC[C@@H]31)O2 ZINC001053668074 1349090423 /nfs/dbraw/zinc/09/04/23/1349090423.db2.gz IKYWQBDHEOMVJI-YRXWBPOGSA-N 1 2 346.515 3.129 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C)ccc1C1CC1)CO2 ZINC001053882377 1349120850 /nfs/dbraw/zinc/12/08/50/1349120850.db2.gz XVHZUUQMZOAWSJ-QGZVFWFLSA-N 1 2 340.467 3.022 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@]1(C)CCC(C)=C(C)C1)CO2 ZINC001054020939 1349130917 /nfs/dbraw/zinc/13/09/17/1349130917.db2.gz XRQQRUSNQAEYFQ-IEBWSBKVSA-N 1 2 332.488 3.049 20 30 EGEDLO O=C(NCc1ccc2c(c1)C[N@@H+](CC#Cc1ccccc1)C2)C1CC1 ZINC001054251801 1349246876 /nfs/dbraw/zinc/24/68/76/1349246876.db2.gz OBNZEFXUNVFSGB-UHFFFAOYSA-N 1 2 330.431 3.080 20 30 EGEDLO O=C(NCc1ccc2c(c1)C[N@H+](CC#Cc1ccccc1)C2)C1CC1 ZINC001054251801 1349246880 /nfs/dbraw/zinc/24/68/80/1349246880.db2.gz OBNZEFXUNVFSGB-UHFFFAOYSA-N 1 2 330.431 3.080 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc(C)c(OC)c(C)c3)cc2C1 ZINC001054265368 1349263197 /nfs/dbraw/zinc/26/31/97/1349263197.db2.gz LYRCGPDITIPSLT-UHFFFAOYSA-N 1 2 348.446 3.191 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc(C)c(OC)c(C)c3)cc2C1 ZINC001054265368 1349263201 /nfs/dbraw/zinc/26/32/01/1349263201.db2.gz LYRCGPDITIPSLT-UHFFFAOYSA-N 1 2 348.446 3.191 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc4ccncc4s3)cc2C1 ZINC001054267922 1349266183 /nfs/dbraw/zinc/26/61/83/1349266183.db2.gz JYLLGLKHAOWSII-UHFFFAOYSA-N 1 2 347.443 3.175 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc4ccncc4s3)cc2C1 ZINC001054267922 1349266185 /nfs/dbraw/zinc/26/61/85/1349266185.db2.gz JYLLGLKHAOWSII-UHFFFAOYSA-N 1 2 347.443 3.175 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccsc3)cc2C1 ZINC001054270322 1349269445 /nfs/dbraw/zinc/26/94/45/1349269445.db2.gz KNRIPTAMOXEGBZ-RBUKOAKNSA-N 1 2 336.460 3.117 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccsc3)cc2C1 ZINC001054270322 1349269448 /nfs/dbraw/zinc/26/94/48/1349269448.db2.gz KNRIPTAMOXEGBZ-RBUKOAKNSA-N 1 2 336.460 3.117 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc4c(c3)[C@H](C)CO4)cc2C1 ZINC001054278366 1349278741 /nfs/dbraw/zinc/27/87/41/1349278741.db2.gz XXUCRSMCKPQICW-OAHLLOKOSA-N 1 2 346.430 3.061 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc4c(c3)[C@H](C)CO4)cc2C1 ZINC001054278366 1349278743 /nfs/dbraw/zinc/27/87/43/1349278743.db2.gz XXUCRSMCKPQICW-OAHLLOKOSA-N 1 2 346.430 3.061 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3csc(Cl)c3)cc2C1 ZINC001054284289 1349286176 /nfs/dbraw/zinc/28/61/76/1349286176.db2.gz MMGRBZBHLJYFMX-UHFFFAOYSA-N 1 2 330.840 3.280 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3csc(Cl)c3)cc2C1 ZINC001054284289 1349286181 /nfs/dbraw/zinc/28/61/81/1349286181.db2.gz MMGRBZBHLJYFMX-UHFFFAOYSA-N 1 2 330.840 3.280 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc4nc(C)ccc4o3)cc2C1 ZINC001054289350 1349293167 /nfs/dbraw/zinc/29/31/67/1349293167.db2.gz AYBUIYAFQCYGCM-UHFFFAOYSA-N 1 2 345.402 3.015 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc4nc(C)ccc4o3)cc2C1 ZINC001054289350 1349293172 /nfs/dbraw/zinc/29/31/72/1349293172.db2.gz AYBUIYAFQCYGCM-UHFFFAOYSA-N 1 2 345.402 3.015 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ncsc3C(C)C)cc2C1 ZINC001054289654 1349294562 /nfs/dbraw/zinc/29/45/62/1349294562.db2.gz OAYHZGQWJQAUQR-UHFFFAOYSA-N 1 2 339.464 3.145 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ncsc3C(C)C)cc2C1 ZINC001054289654 1349294564 /nfs/dbraw/zinc/29/45/64/1349294564.db2.gz OAYHZGQWJQAUQR-UHFFFAOYSA-N 1 2 339.464 3.145 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc4c(s3)CCC4)cc2C1 ZINC001054291214 1349295819 /nfs/dbraw/zinc/29/58/19/1349295819.db2.gz BLIVPMQWKQMPGC-UHFFFAOYSA-N 1 2 336.460 3.116 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc4c(s3)CCC4)cc2C1 ZINC001054291214 1349295821 /nfs/dbraw/zinc/29/58/21/1349295821.db2.gz BLIVPMQWKQMPGC-UHFFFAOYSA-N 1 2 336.460 3.116 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc(C(F)F)o3)cc2C1 ZINC001054291062 1349295849 /nfs/dbraw/zinc/29/58/49/1349295849.db2.gz SKQYOTUZZJOUSD-UHFFFAOYSA-N 1 2 330.334 3.096 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc(C(F)F)o3)cc2C1 ZINC001054291062 1349295850 /nfs/dbraw/zinc/29/58/50/1349295850.db2.gz SKQYOTUZZJOUSD-UHFFFAOYSA-N 1 2 330.334 3.096 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc(F)cc3Cl)cc2C1 ZINC001054291537 1349297383 /nfs/dbraw/zinc/29/73/83/1349297383.db2.gz UMOBXGIGJUHTCM-UHFFFAOYSA-N 1 2 342.801 3.358 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc(F)cc3Cl)cc2C1 ZINC001054291537 1349297389 /nfs/dbraw/zinc/29/73/89/1349297389.db2.gz UMOBXGIGJUHTCM-UHFFFAOYSA-N 1 2 342.801 3.358 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc(C)c4c3CCC4)cc2C1 ZINC001054292863 1349299388 /nfs/dbraw/zinc/29/93/88/1349299388.db2.gz XMGLQMULKDNZRH-UHFFFAOYSA-N 1 2 344.458 3.363 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc(C)c4c3CCC4)cc2C1 ZINC001054292863 1349299389 /nfs/dbraw/zinc/29/93/89/1349299389.db2.gz XMGLQMULKDNZRH-UHFFFAOYSA-N 1 2 344.458 3.363 20 30 EGEDLO C=C[C@H](C(=O)N1CCC(Nc2cc[nH+]c(C)n2)CC1)c1ccccc1 ZINC001057336920 1350016968 /nfs/dbraw/zinc/01/69/68/1350016968.db2.gz GNESTEUYCWNFAL-SFHVURJKSA-N 1 2 336.439 3.158 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC([C@@H](C)Nc2cc[nH+]c(C)n2)CC1 ZINC001061871715 1351385715 /nfs/dbraw/zinc/38/57/15/1351385715.db2.gz QBAHDEUOMWBUMK-CQSZACIVSA-N 1 2 330.476 3.426 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)c2cccc(F)c2)C1 ZINC001080432490 1357618901 /nfs/dbraw/zinc/61/89/01/1357618901.db2.gz FIOVYBXHWALGOX-MLGOLLRUSA-N 1 2 338.854 3.292 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)c2cccc(F)c2)C1 ZINC001080432490 1357618905 /nfs/dbraw/zinc/61/89/05/1357618905.db2.gz FIOVYBXHWALGOX-MLGOLLRUSA-N 1 2 338.854 3.292 20 30 EGEDLO C#Cc1ccc(C(=O)N2CC[C@@H](Nc3cc[nH+]c(C)n3)[C@H](CC)C2)cc1 ZINC001064407648 1352567829 /nfs/dbraw/zinc/56/78/29/1352567829.db2.gz KBJLEYUHXOEHBD-IEBWSBKVSA-N 1 2 348.450 3.119 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@@H](C)[C@@H](CNc3cc[nH+]c(C)n3)C2)CC1 ZINC001065905762 1352917552 /nfs/dbraw/zinc/91/75/52/1352917552.db2.gz NQFMMKJQLKIIOZ-PBHICJAKSA-N 1 2 328.460 3.038 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC(C)(Nc2cc[nH+]c(C)n2)CC1 ZINC001067275613 1353351542 /nfs/dbraw/zinc/35/15/42/1353351542.db2.gz BOMYRRFFFGZYMX-UHFFFAOYSA-N 1 2 336.867 3.357 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@@H](Nc3cc[nH+]c(C)n3)[C@H]2C1 ZINC001069315409 1353998129 /nfs/dbraw/zinc/99/81/29/1353998129.db2.gz CIIKFLOZUGOQIT-YESZJQIVSA-N 1 2 342.487 3.426 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CCC=CCCC3)c2C1 ZINC001069863667 1354290465 /nfs/dbraw/zinc/29/04/65/1354290465.db2.gz DSRFVHHJCWRULT-QGZVFWFLSA-N 1 2 342.487 3.028 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CCC=CCCC3)c2C1 ZINC001069863667 1354290467 /nfs/dbraw/zinc/29/04/67/1354290467.db2.gz DSRFVHHJCWRULT-QGZVFWFLSA-N 1 2 342.487 3.028 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)C1CCCCC1)C[C@@H](C)O2 ZINC001071131221 1354469482 /nfs/dbraw/zinc/46/94/82/1354469482.db2.gz BXPBJQHOCARHGE-QAPCUYQASA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C1CCCCC1)C[C@@H](C)O2 ZINC001071131221 1354469485 /nfs/dbraw/zinc/46/94/85/1354469485.db2.gz BXPBJQHOCARHGE-QAPCUYQASA-N 1 2 340.895 3.011 20 30 EGEDLO C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C(F)C(F)(F)F)C2)CC1 ZINC001086924334 1359250078 /nfs/dbraw/zinc/25/00/78/1359250078.db2.gz PPOCFEWLYGPPPF-STQMWFEESA-N 1 2 336.373 3.166 20 30 EGEDLO C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](F)C(F)(F)F)C2)CC1 ZINC001086924334 1359250080 /nfs/dbraw/zinc/25/00/80/1359250080.db2.gz PPOCFEWLYGPPPF-STQMWFEESA-N 1 2 336.373 3.166 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)c2ccoc2)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001071349738 1354616898 /nfs/dbraw/zinc/61/68/98/1354616898.db2.gz LIMLFBBUDCWKAW-CXAGYDPISA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)c2ccoc2)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001071349738 1354616901 /nfs/dbraw/zinc/61/69/01/1354616901.db2.gz LIMLFBBUDCWKAW-CXAGYDPISA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)c2ccoc2)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001071350578 1354619725 /nfs/dbraw/zinc/61/97/25/1354619725.db2.gz XFZMRGLVYNMRMP-BEFAXECRSA-N 1 2 340.398 3.053 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)c2ccoc2)C[N@H+]1CC#Cc1ccc(F)cc1 ZINC001071350578 1354619729 /nfs/dbraw/zinc/61/97/29/1354619729.db2.gz XFZMRGLVYNMRMP-BEFAXECRSA-N 1 2 340.398 3.053 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc(C)n(CC)c2C)CC[C@H]1C ZINC001071663405 1354835337 /nfs/dbraw/zinc/83/53/37/1354835337.db2.gz MWNGQHPDGNWFEG-CZUORRHYSA-N 1 2 337.895 3.460 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc(C)n(CC)c2C)CC[C@H]1C ZINC001071663405 1354835339 /nfs/dbraw/zinc/83/53/39/1354835339.db2.gz MWNGQHPDGNWFEG-CZUORRHYSA-N 1 2 337.895 3.460 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc(F)c(F)cc2F)CC[C@H]1C ZINC001071772451 1354918042 /nfs/dbraw/zinc/91/80/42/1354918042.db2.gz 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C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC001080833483 1357747190 /nfs/dbraw/zinc/74/71/90/1357747190.db2.gz LQBVJXRXQYQWIK-SSBXZMBHSA-N 1 2 336.907 3.392 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(C)C)cc3)C[C@H]21 ZINC001074392268 1356192117 /nfs/dbraw/zinc/19/21/17/1356192117.db2.gz HOGKTAYTEKDOHE-UXHICEINSA-N 1 2 342.483 3.301 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(C)C)cc3)C[C@H]21 ZINC001074392268 1356192119 /nfs/dbraw/zinc/19/21/19/1356192119.db2.gz HOGKTAYTEKDOHE-UXHICEINSA-N 1 2 342.483 3.301 20 30 EGEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(CC)c(C)s3)C[C@@H]21 ZINC001074397336 1356192921 /nfs/dbraw/zinc/19/29/21/1356192921.db2.gz GPCDEHDXUVQMSJ-DLBZAZTESA-N 1 2 348.512 3.110 20 30 EGEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(CC)c(C)s3)C[C@@H]21 ZINC001074397336 1356192923 /nfs/dbraw/zinc/19/29/23/1356192923.db2.gz GPCDEHDXUVQMSJ-DLBZAZTESA-N 1 2 348.512 3.110 20 30 EGEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(C)C)s3)C[C@@H]21 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344.886 3.465 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084713964 1358290019 /nfs/dbraw/zinc/29/00/19/1358290019.db2.gz HFJFYMHMAMFQRZ-MLYOOKFZSA-N 1 2 344.886 3.465 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCc4ccccc43)[C@@H]2C1 ZINC001084729905 1358293980 /nfs/dbraw/zinc/29/39/80/1358293980.db2.gz ALDXVOOCVOWQPR-ZHALLVOQSA-N 1 2 344.886 3.392 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCc4ccccc43)[C@@H]2C1 ZINC001084729905 1358293983 /nfs/dbraw/zinc/29/39/83/1358293983.db2.gz ALDXVOOCVOWQPR-ZHALLVOQSA-N 1 2 344.886 3.392 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(F)c4occc43)[C@@H]2C1 ZINC001084841306 1358325230 /nfs/dbraw/zinc/32/52/30/1358325230.db2.gz PFJMNQHBQMFVDI-MLGOLLRUSA-N 1 2 348.805 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(F)c4occc43)[C@@H]2C1 ZINC001084841306 1358325232 /nfs/dbraw/zinc/32/52/32/1358325232.db2.gz PFJMNQHBQMFVDI-MLGOLLRUSA-N 1 2 348.805 3.471 20 30 EGEDLO 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/nfs/dbraw/zinc/53/20/05/1358532005.db2.gz IIWXATRRSQLNNR-WMZOPIPTSA-N 1 2 341.430 3.086 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1CCCC12CC2 ZINC001085667927 1358672812 /nfs/dbraw/zinc/67/28/12/1358672812.db2.gz RITYXOBLTGYFGL-OALUTQOASA-N 1 2 337.467 3.171 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1CCCC12CC2 ZINC001085667927 1358672814 /nfs/dbraw/zinc/67/28/14/1358672814.db2.gz RITYXOBLTGYFGL-OALUTQOASA-N 1 2 337.467 3.171 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@H]1CCCC1(C)C ZINC001085771794 1358744098 /nfs/dbraw/zinc/74/40/98/1358744098.db2.gz KFEHFSQTRVNBLW-WMLDXEAASA-N 1 2 345.512 3.479 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@H]1CCCC1(C)C ZINC001085771794 1358744100 /nfs/dbraw/zinc/74/41/00/1358744100.db2.gz KFEHFSQTRVNBLW-WMLDXEAASA-N 1 2 345.512 3.479 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1)C(=O)[C@@H]1CCC1(C)C ZINC001085775571 1358748162 /nfs/dbraw/zinc/74/81/62/1358748162.db2.gz XTMZDDVYORYESM-SJORKVTESA-N 1 2 343.446 3.166 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1)C(=O)[C@@H]1CCC1(C)C ZINC001085775571 1358748165 /nfs/dbraw/zinc/74/81/65/1358748165.db2.gz XTMZDDVYORYESM-SJORKVTESA-N 1 2 343.446 3.166 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nc(C)c(C)s2)[C@H]1CC ZINC001087834309 1359670700 /nfs/dbraw/zinc/67/07/00/1359670700.db2.gz XDDFCNSNLYXGNF-QWHCGFSZSA-N 1 2 327.881 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nc(C)c(C)s2)[C@H]1CC ZINC001087834309 1359670702 /nfs/dbraw/zinc/67/07/02/1359670702.db2.gz XDDFCNSNLYXGNF-QWHCGFSZSA-N 1 2 327.881 3.095 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)s1 ZINC001088449298 1359913397 /nfs/dbraw/zinc/91/33/97/1359913397.db2.gz DGZDWROKHNEQJN-PBHICJAKSA-N 1 2 339.464 3.321 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)s1 ZINC001088449298 1359913401 /nfs/dbraw/zinc/91/34/01/1359913401.db2.gz DGZDWROKHNEQJN-PBHICJAKSA-N 1 2 339.464 3.321 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(F)cc(F)cc2F)[C@H]1C ZINC001088830308 1360067193 /nfs/dbraw/zinc/06/71/93/1360067193.db2.gz BPTFPXGKHPZPPJ-RNCFNFMXSA-N 1 2 332.753 3.049 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(F)cc(F)cc2F)[C@H]1C ZINC001088830308 1360067195 /nfs/dbraw/zinc/06/71/95/1360067195.db2.gz BPTFPXGKHPZPPJ-RNCFNFMXSA-N 1 2 332.753 3.049 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2CCC(F)CC2)[C@H]1C ZINC001088835644 1360070825 /nfs/dbraw/zinc/07/08/25/1360070825.db2.gz HBEIQQIIRCKLOE-RYSNWHEDSA-N 1 2 347.272 3.002 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2CCC(F)CC2)[C@H]1C ZINC001088835644 1360070827 /nfs/dbraw/zinc/07/08/27/1360070827.db2.gz HBEIQQIIRCKLOE-RYSNWHEDSA-N 1 2 347.272 3.002 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@H]1C ZINC001088990390 1360126400 /nfs/dbraw/zinc/12/64/00/1360126400.db2.gz SRDZRIPAEXVSSY-NGFQHRJXSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@H]1C ZINC001088990390 1360126402 /nfs/dbraw/zinc/12/64/02/1360126402.db2.gz SRDZRIPAEXVSSY-NGFQHRJXSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C)c3c2CCC3)[C@H]1C ZINC001089066244 1360155641 /nfs/dbraw/zinc/15/56/41/1360155641.db2.gz XOUXXJLJOHBLIP-KDOFPFPSSA-N 1 2 332.875 3.429 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)c3c2CCC3)[C@H]1C ZINC001089066244 1360155642 /nfs/dbraw/zinc/15/56/42/1360155642.db2.gz XOUXXJLJOHBLIP-KDOFPFPSSA-N 1 2 332.875 3.429 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(N(C)CC)cc2)[C@H]1C ZINC001089073431 1360160874 /nfs/dbraw/zinc/16/08/74/1360160874.db2.gz DFADCYSEZCXQOH-PBHICJAKSA-N 1 2 335.879 3.088 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(N(C)CC)cc2)[C@H]1C ZINC001089073431 1360160875 /nfs/dbraw/zinc/16/08/75/1360160875.db2.gz DFADCYSEZCXQOH-PBHICJAKSA-N 1 2 335.879 3.088 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089168234 1360223080 /nfs/dbraw/zinc/22/30/80/1360223080.db2.gz QLFXLLUIGQTWAX-CXAGYDPISA-N 1 2 344.503 3.478 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H](C)[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001089183709 1360233601 /nfs/dbraw/zinc/23/36/01/1360233601.db2.gz GRQKEJMWOIGXKG-AEFFLSMTSA-N 1 2 342.487 3.265 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H](C)[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001089184551 1360234441 /nfs/dbraw/zinc/23/44/41/1360234441.db2.gz SJIHKXIDNCYJAW-QAPCUYQASA-N 1 2 342.487 3.450 20 30 EGEDLO Cc1cc(N[C@H](C)C[C@@H](C)NC(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001089313580 1360332512 /nfs/dbraw/zinc/33/25/12/1360332512.db2.gz PFIGIGMTXUMOND-ZIAGYGMSSA-N 1 2 328.460 3.017 20 30 EGEDLO C=CCCOCCCCC(=O)N[C@H](C)C[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001089405613 1360404433 /nfs/dbraw/zinc/40/44/33/1360404433.db2.gz RRXVHCCDFHCAID-HZPDHXFCSA-N 1 2 348.491 3.243 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H](CNc2cc[nH+]c(C)n2)[C@H](C)C1 ZINC001090274749 1360882221 /nfs/dbraw/zinc/88/22/21/1360882221.db2.gz GDNLDAJDABCHKO-GDBMZVCRSA-N 1 2 330.476 3.284 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H](CNc2cc[nH+]c(C)n2)[C@@H](C)C1 ZINC001090282079 1360886379 /nfs/dbraw/zinc/88/63/79/1360886379.db2.gz TWKBNWRWBFZMRB-WMZOPIPTSA-N 1 2 342.487 3.265 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[C@@H](Nc3cc[nH+]c(C)n3)C23CCC3)CCC1 ZINC001090617211 1360913124 /nfs/dbraw/zinc/91/31/24/1360913124.db2.gz BVTGHLGHQQFHFN-HZPDHXFCSA-N 1 2 340.471 3.371 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001090805408 1360938236 /nfs/dbraw/zinc/93/82/36/1360938236.db2.gz MQGAGTDWZLHCEQ-ZMSDIMECSA-N 1 2 344.503 3.452 20 30 EGEDLO CC(C)c1cc(N[C@H]2C[C@@H](CNC(=O)[C@@H](C)C#N)C2)nc(C(C)C)[nH+]1 ZINC001091323645 1361044012 /nfs/dbraw/zinc/04/40/12/1361044012.db2.gz LDCOVRAYLCBVJP-SOUVJXGZSA-N 1 2 343.475 3.190 20 30 EGEDLO Cc1nc(N[C@@H]2CCCCCN(C(=O)C#CC(C)(C)C)C2)cc[nH+]1 ZINC001091917691 1361247839 /nfs/dbraw/zinc/24/78/39/1361247839.db2.gz KYHXUSKKAQMPNK-MRXNPFEDSA-N 1 2 328.460 3.018 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001092038197 1361278807 /nfs/dbraw/zinc/27/88/07/1361278807.db2.gz GDAAKIAVILEDMP-OIISXLGYSA-N 1 2 330.476 3.088 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001092039063 1361279399 /nfs/dbraw/zinc/27/93/99/1361279399.db2.gz BUBUDHPERUSPCV-VYDXJSESSA-N 1 2 342.487 3.348 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001092076193 1361290643 /nfs/dbraw/zinc/29/06/43/1361290643.db2.gz CZSHPGLZKXHDEX-WBVHZDCISA-N 1 2 330.476 3.205 20 30 EGEDLO C=CCC(CC=C)C(=O)N1C[C@@H](C)[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001092621770 1361423920 /nfs/dbraw/zinc/42/39/20/1361423920.db2.gz AQFKJBBMZZHAPK-CRAIPNDOSA-N 1 2 342.487 3.450 20 30 EGEDLO C=CCCC1(C(=O)N2C[C@@H](C)[C@H](CCNc3cc[nH+]c(C)n3)C2)CC1 ZINC001092626399 1361425696 /nfs/dbraw/zinc/42/56/96/1361425696.db2.gz QPOZAXKTCUFPRD-NVXWUHKLSA-N 1 2 342.487 3.428 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001092905280 1361483640 /nfs/dbraw/zinc/48/36/40/1361483640.db2.gz ZZWUAUSHQFSLOP-YVSFHVDLSA-N 1 2 342.487 3.176 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001093014436 1361508304 /nfs/dbraw/zinc/50/83/04/1361508304.db2.gz CRRONLZGJOXRNA-ZACQAIPSSA-N 1 2 342.487 3.230 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@H]21 ZINC001093358380 1361570862 /nfs/dbraw/zinc/57/08/62/1361570862.db2.gz QKZXOOOGOJBBMA-VZHLBOQGSA-N 1 2 342.487 3.062 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C3C[C@@H](C)C[C@H](C)C3)CC2)C1 ZINC001093600015 1361654617 /nfs/dbraw/zinc/65/46/17/1361654617.db2.gz LDLCPKUDWLRKMB-IRXDYDNUSA-N 1 2 348.531 3.327 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001095076912 1362005292 /nfs/dbraw/zinc/00/52/92/1362005292.db2.gz FYCLJSJNUQNGIH-MRXNPFEDSA-N 1 2 328.460 3.115 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095149833 1362032852 /nfs/dbraw/zinc/03/28/52/1362032852.db2.gz IEYHVHFHBXKXKI-YOEHRIQHSA-N 1 2 342.487 3.302 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095150662 1362033285 /nfs/dbraw/zinc/03/32/85/1362033285.db2.gz PUIBJZGOOYBDNC-NVXWUHKLSA-N 1 2 342.487 3.302 20 30 EGEDLO CCc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)o1 ZINC001095632732 1362192170 /nfs/dbraw/zinc/19/21/70/1362192170.db2.gz NHGDTPZUUYPPON-HOJAQTOUSA-N 1 2 348.446 3.229 20 30 EGEDLO CCc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)o1 ZINC001095632732 1362192171 /nfs/dbraw/zinc/19/21/71/1362192171.db2.gz NHGDTPZUUYPPON-HOJAQTOUSA-N 1 2 348.446 3.229 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001095712518 1362209377 /nfs/dbraw/zinc/20/93/77/1362209377.db2.gz QQFYQAITQJORSS-GDBMZVCRSA-N 1 2 332.492 3.309 20 30 EGEDLO C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)C=CCC1 ZINC001095880581 1362268001 /nfs/dbraw/zinc/26/80/01/1362268001.db2.gz QQRLQVMYGUJZME-XODKDNOYSA-N 1 2 335.451 3.136 20 30 EGEDLO C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)C=CCC1 ZINC001095880581 1362268004 /nfs/dbraw/zinc/26/80/04/1362268004.db2.gz QQRLQVMYGUJZME-XODKDNOYSA-N 1 2 335.451 3.136 20 30 EGEDLO Cc1coc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)c1 ZINC001095892895 1362274432 /nfs/dbraw/zinc/27/44/32/1362274432.db2.gz WTSDTYKUQOCWGE-KCXAZCMYSA-N 1 2 341.436 3.057 20 30 EGEDLO Cc1coc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)c1 ZINC001095892895 1362274434 /nfs/dbraw/zinc/27/44/34/1362274434.db2.gz WTSDTYKUQOCWGE-KCXAZCMYSA-N 1 2 341.436 3.057 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cc(C)cc(C)c1)C2 ZINC001095960404 1362309176 /nfs/dbraw/zinc/30/91/76/1362309176.db2.gz INOVDCHKTQHGFN-SQNIBIBYSA-N 1 2 332.875 3.320 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cc(C)cc(C)c1)C2 ZINC001095960404 1362309181 /nfs/dbraw/zinc/30/91/81/1362309181.db2.gz INOVDCHKTQHGFN-SQNIBIBYSA-N 1 2 332.875 3.320 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc(C)cs2)CC1 ZINC001095971058 1362315954 /nfs/dbraw/zinc/31/59/54/1362315954.db2.gz ZTDUMPXOPINUHU-IKGGRYGDSA-N 1 2 345.512 3.419 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc(C)cs2)CC1 ZINC001095971058 1362315957 /nfs/dbraw/zinc/31/59/57/1362315957.db2.gz ZTDUMPXOPINUHU-IKGGRYGDSA-N 1 2 345.512 3.419 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(Cl)n2)C1 ZINC001095982679 1362321191 /nfs/dbraw/zinc/32/11/91/1362321191.db2.gz IBFRQOBAKDSMTN-PMPSAXMXSA-N 1 2 345.874 3.313 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(Cl)n2)C1 ZINC001095982679 1362321195 /nfs/dbraw/zinc/32/11/95/1362321195.db2.gz IBFRQOBAKDSMTN-PMPSAXMXSA-N 1 2 345.874 3.313 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1C1CCC1)C2 ZINC001096141718 1362403121 /nfs/dbraw/zinc/40/31/21/1362403121.db2.gz GBSNIOKVMRYLCP-TXVWBRJLSA-N 1 2 349.478 3.216 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1C1CCC1)C2 ZINC001096141718 1362403126 /nfs/dbraw/zinc/40/31/26/1362403126.db2.gz GBSNIOKVMRYLCP-TXVWBRJLSA-N 1 2 349.478 3.216 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CCN(c3cc(C)[nH+]c(C4CC4)n3)C2)CC1 ZINC001096479190 1362529280 /nfs/dbraw/zinc/52/92/80/1362529280.db2.gz VSWKUKYBZJZSCW-MRXNPFEDSA-N 1 2 340.471 3.104 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccccc1Cl)C2 ZINC001096492464 1362535346 /nfs/dbraw/zinc/53/53/46/1362535346.db2.gz XYWLBJOLUOIFSF-KBMXLJTQSA-N 1 2 339.266 3.357 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccccc1Cl)C2 ZINC001096492464 1362535359 /nfs/dbraw/zinc/53/53/59/1362535359.db2.gz XYWLBJOLUOIFSF-KBMXLJTQSA-N 1 2 339.266 3.357 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CC12CCN(c1nc(C)[nH+]c(C)c1C)CC2 ZINC001096527768 1362556076 /nfs/dbraw/zinc/55/60/76/1362556076.db2.gz NPCOREHKESJUMU-KRWDZBQOSA-N 1 2 342.487 3.233 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2=CCCC2)C3)c1 ZINC001096948546 1362790104 /nfs/dbraw/zinc/79/01/04/1362790104.db2.gz DLCLMOKYXAHMMN-QRQLOZEOSA-N 1 2 339.414 3.029 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2=CCCC2)C3)c1 ZINC001096948546 1362790108 /nfs/dbraw/zinc/79/01/08/1362790108.db2.gz DLCLMOKYXAHMMN-QRQLOZEOSA-N 1 2 339.414 3.029 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001097088672 1362837520 /nfs/dbraw/zinc/83/75/20/1362837520.db2.gz PRPSGSVNTWUQFX-SHTZXODSSA-N 1 2 342.487 3.325 20 30 EGEDLO C=CCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]c(C2CC2)n1 ZINC001097118950 1362849287 /nfs/dbraw/zinc/84/92/87/1362849287.db2.gz XWHVEYXZUOTMOK-ALOPSCKCSA-N 1 2 340.471 3.245 20 30 EGEDLO C=CC1(CC(=O)N[C@H]2C[C@@H](Nc3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001097200251 1362883355 /nfs/dbraw/zinc/88/33/55/1362883355.db2.gz GMYMFBSYMQLZCH-IYBDPMFKSA-N 1 2 328.460 3.371 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097243960 1362899542 /nfs/dbraw/zinc/89/95/42/1362899542.db2.gz USQBMZJAMMMRAP-DLKVLKDVSA-N 1 2 328.460 3.180 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H](C)[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097546028 1363053808 /nfs/dbraw/zinc/05/38/08/1363053808.db2.gz QUQSYONGSHMHNP-WBVHZDCISA-N 1 2 344.503 3.335 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@]1(C)c1ccccc1)C2 ZINC001097565512 1363057255 /nfs/dbraw/zinc/05/72/55/1363057255.db2.gz SJTCOAJXLJCVLH-IHEQNBGGSA-N 1 2 344.886 3.438 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@]1(C)c1ccccc1)C2 ZINC001097565512 1363057258 /nfs/dbraw/zinc/05/72/58/1363057258.db2.gz SJTCOAJXLJCVLH-IHEQNBGGSA-N 1 2 344.886 3.438 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@@H]2CC[C@@H](Nc3cc[nH+]c(C)n3)[C@H]2C1 ZINC001097603652 1363068623 /nfs/dbraw/zinc/06/86/23/1363068623.db2.gz ICHRPKXWKZLACS-HRCADAONSA-N 1 2 328.460 3.036 20 30 EGEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-c3ccco3)s1)C2 ZINC001098134666 1363230644 /nfs/dbraw/zinc/23/06/44/1363230644.db2.gz UUFGAMAHYXRVFZ-KFWWJZLASA-N 1 2 340.448 3.367 20 30 EGEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-c3ccco3)s1)C2 ZINC001098134666 1363230648 /nfs/dbraw/zinc/23/06/48/1363230648.db2.gz UUFGAMAHYXRVFZ-KFWWJZLASA-N 1 2 340.448 3.367 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001098197805 1363253158 /nfs/dbraw/zinc/25/31/58/1363253158.db2.gz HNOQRNSFEMOPQB-UKRRQHHQSA-N 1 2 330.476 3.183 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001098245020 1363268036 /nfs/dbraw/zinc/26/80/36/1363268036.db2.gz WSRRSSKAFZSBTK-DJJJIMSYSA-N 1 2 330.476 3.183 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncc3ccccc31)C2 ZINC001098457380 1363331538 /nfs/dbraw/zinc/33/15/38/1363331538.db2.gz VJOPBJMUIKSMHF-OLMNPRSZSA-N 1 2 341.842 3.322 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncc3ccccc31)C2 ZINC001098457380 1363331542 /nfs/dbraw/zinc/33/15/42/1363331542.db2.gz VJOPBJMUIKSMHF-OLMNPRSZSA-N 1 2 341.842 3.322 20 30 EGEDLO C#CCC1(C(=O)N2CC[C@@H](CNc3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001098534289 1363357779 /nfs/dbraw/zinc/35/77/79/1363357779.db2.gz ODZPFTNRRHLWEY-KRWDZBQOSA-N 1 2 340.471 3.019 20 30 EGEDLO CC(F)(F)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC#Cc1ccccc1 ZINC001098863831 1363497316 /nfs/dbraw/zinc/49/73/16/1363497316.db2.gz WNUMHHUMGFRVPP-KRWDZBQOSA-N 1 2 348.437 3.300 20 30 EGEDLO CC(F)(F)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC#Cc1ccccc1 ZINC001098863831 1363497317 /nfs/dbraw/zinc/49/73/17/1363497317.db2.gz WNUMHHUMGFRVPP-KRWDZBQOSA-N 1 2 348.437 3.300 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccncc1Cl ZINC001098975056 1363549212 /nfs/dbraw/zinc/54/92/12/1363549212.db2.gz CIRUNRNRIVQCSE-DZGCQCFKSA-N 1 2 348.878 3.001 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccncc1Cl ZINC001098975056 1363549215 /nfs/dbraw/zinc/54/92/15/1363549215.db2.gz CIRUNRNRIVQCSE-DZGCQCFKSA-N 1 2 348.878 3.001 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2sccc2OC)C1 ZINC001099131934 1363643862 /nfs/dbraw/zinc/64/38/62/1363643862.db2.gz SAASMMUQCVZLCI-LRDDRELGSA-N 1 2 340.876 3.094 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2sccc2OC)C1 ZINC001099131934 1363643864 /nfs/dbraw/zinc/64/38/64/1363643864.db2.gz SAASMMUQCVZLCI-LRDDRELGSA-N 1 2 340.876 3.094 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nccn1CC ZINC001099166689 1363667392 /nfs/dbraw/zinc/66/73/92/1363667392.db2.gz YYOLSDHFFSHBTQ-INIZCTEOSA-N 1 2 346.519 3.222 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nccn1CC ZINC001099166689 1363667395 /nfs/dbraw/zinc/66/73/95/1363667395.db2.gz YYOLSDHFFSHBTQ-INIZCTEOSA-N 1 2 346.519 3.222 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ccn(CC)n1 ZINC001099170617 1363668639 /nfs/dbraw/zinc/66/86/39/1363668639.db2.gz JHUQAYZMVPPJMZ-KRWDZBQOSA-N 1 2 346.519 3.222 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ccn(CC)n1 ZINC001099170617 1363668640 /nfs/dbraw/zinc/66/86/40/1363668640.db2.gz JHUQAYZMVPPJMZ-KRWDZBQOSA-N 1 2 346.519 3.222 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nnc(C)o1 ZINC001099193729 1363684590 /nfs/dbraw/zinc/68/45/90/1363684590.db2.gz GFGNYSDCCLNUIO-CVEARBPZSA-N 1 2 348.491 3.087 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nnc(C)o1 ZINC001099193729 1363684592 /nfs/dbraw/zinc/68/45/92/1363684592.db2.gz GFGNYSDCCLNUIO-CVEARBPZSA-N 1 2 348.491 3.087 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ncccn1 ZINC001099194921 1363686271 /nfs/dbraw/zinc/68/62/71/1363686271.db2.gz VEBVGMAEVILQJT-DLBZAZTESA-N 1 2 344.503 3.186 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ncccn1 ZINC001099194921 1363686275 /nfs/dbraw/zinc/68/62/75/1363686275.db2.gz VEBVGMAEVILQJT-DLBZAZTESA-N 1 2 344.503 3.186 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nccc(C)n1 ZINC001099200049 1363688256 /nfs/dbraw/zinc/68/82/56/1363688256.db2.gz VNTFWYNRUVTDGK-QGZVFWFLSA-N 1 2 344.503 3.248 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nccc(C)n1 ZINC001099200049 1363688259 /nfs/dbraw/zinc/68/82/59/1363688259.db2.gz VNTFWYNRUVTDGK-QGZVFWFLSA-N 1 2 344.503 3.248 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1cc(C)on1 ZINC001099199703 1363688374 /nfs/dbraw/zinc/68/83/74/1363688374.db2.gz PCVVJJVLTYARRD-QGZVFWFLSA-N 1 2 333.476 3.446 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1cc(C)on1 ZINC001099199703 1363688378 /nfs/dbraw/zinc/68/83/78/1363688378.db2.gz PCVVJJVLTYARRD-QGZVFWFLSA-N 1 2 333.476 3.446 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nocc1C ZINC001099203913 1363691187 /nfs/dbraw/zinc/69/11/87/1363691187.db2.gz STANOQXACCDVOV-MRXNPFEDSA-N 1 2 333.476 3.446 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nocc1C ZINC001099203913 1363691191 /nfs/dbraw/zinc/69/11/91/1363691191.db2.gz STANOQXACCDVOV-MRXNPFEDSA-N 1 2 333.476 3.446 20 30 EGEDLO C#CCC1(C(=O)NCC[C@H](C)Nc2cc(C)[nH+]c(C(C)C)n2)CCC1 ZINC001099558793 1363847720 /nfs/dbraw/zinc/84/77/20/1363847720.db2.gz MCODLTRTAGLGNN-HNNXBMFYSA-N 1 2 342.487 3.409 20 30 EGEDLO CC#CCCCC(=O)NCCN(CC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001100680098 1364215254 /nfs/dbraw/zinc/21/52/54/1364215254.db2.gz FOFMRPREHZBMBO-UHFFFAOYSA-N 1 2 330.476 3.045 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H](CC)C(C)(C)C)c1nccn12 ZINC001101650820 1364673467 /nfs/dbraw/zinc/67/34/67/1364673467.db2.gz CFBUYBOGUJJGGE-HZPDHXFCSA-N 1 2 344.503 3.103 20 30 EGEDLO Cc1nc(N[C@@H](CNC(=O)C#CC(C)(C)C)c2ccccc2)cc[nH+]1 ZINC001102170215 1364910279 /nfs/dbraw/zinc/91/02/79/1364910279.db2.gz DADOCSDVERHORY-KRWDZBQOSA-N 1 2 336.439 3.104 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(CC)[nH+]c(C)n1 ZINC001102201207 1364930504 /nfs/dbraw/zinc/93/05/04/1364930504.db2.gz MVHGPZNJFWEDLE-CALCHBBNSA-N 1 2 342.487 3.129 20 30 EGEDLO C=CCCC1(C(=O)N(C)[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)C2)CC1 ZINC001102756326 1365204051 /nfs/dbraw/zinc/20/40/51/1365204051.db2.gz TXLPZLQOBRTHSB-KRWDZBQOSA-N 1 2 342.487 3.185 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CCCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102884190 1365272582 /nfs/dbraw/zinc/27/25/82/1365272582.db2.gz MNNJTKKZBZVVRH-PXNSSMCTSA-N 1 2 344.503 3.479 20 30 EGEDLO C=CCC(C)(C)C(=O)NCC[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001102946538 1365309724 /nfs/dbraw/zinc/30/97/24/1365309724.db2.gz KVQRCGCNGCAHAL-MRXNPFEDSA-N 1 2 330.476 3.110 20 30 EGEDLO C=CCCC(=O)N[C@](C)(CNc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001103491403 1365594572 /nfs/dbraw/zinc/59/45/72/1365594572.db2.gz MLGUQMJLHVBHNJ-LJQANCHMSA-N 1 2 328.460 3.325 20 30 EGEDLO C=C1CCC(C(=O)N[C@@](C)(CNc2cc[nH+]c(C)n2)C2CC2)CC1 ZINC001103570379 1365644066 /nfs/dbraw/zinc/64/40/66/1365644066.db2.gz ROZCIJTUODUOJN-IBGZPJMESA-N 1 2 328.460 3.228 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@H](Nc2cc[nH+]c(C)n2)CC1 ZINC001103651210 1365702487 /nfs/dbraw/zinc/70/24/87/1365702487.db2.gz DOPPTSXRKMGGKH-QAQDUYKDSA-N 1 2 328.460 3.208 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001103704221 1365741332 /nfs/dbraw/zinc/74/13/32/1365741332.db2.gz AVNQNPASKMZXNI-UHFFFAOYSA-N 1 2 330.476 3.110 20 30 EGEDLO C=CCC(C)(C)C(=O)NCC[C@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001103784257 1365782758 /nfs/dbraw/zinc/78/27/58/1365782758.db2.gz OIKKNYMYOJPFEH-QGZVFWFLSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC2(CCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001103829972 1365803037 /nfs/dbraw/zinc/80/30/37/1365803037.db2.gz IJTAIKOCLOPLLJ-JKSUJKDBSA-N 1 2 342.487 3.062 20 30 EGEDLO Cc1cc(NC[C@H](C)CNC(=O)C#CC(C)(C)C)nc(C(C)C)[nH+]1 ZINC001103937409 1365840299 /nfs/dbraw/zinc/84/02/99/1365840299.db2.gz BCCFALKXNLIPCT-AWEZNQCLSA-N 1 2 330.476 3.122 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001104161812 1365932423 /nfs/dbraw/zinc/93/24/23/1365932423.db2.gz WNGMGDILZAWUFT-UONOGXRCSA-N 1 2 330.476 3.429 20 30 EGEDLO CC(C)c1cc(NC[C@H](C)N(C)C(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001104554987 1366073436 /nfs/dbraw/zinc/07/34/36/1366073436.db2.gz LCQRAYIUZPDYSU-HNNXBMFYSA-N 1 2 342.487 3.396 20 30 EGEDLO C#CCC1(C(=O)N(C)[C@H](C)CNc2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001104716985 1366141999 /nfs/dbraw/zinc/14/19/99/1366141999.db2.gz KBEWQIQJGVTMMS-OAHLLOKOSA-N 1 2 340.471 3.115 20 30 EGEDLO C=CC[C@@H](C(=O)N(C)CCN(C)c1cc[nH+]c(C)n1)c1ccccc1 ZINC001105414399 1366454790 /nfs/dbraw/zinc/45/47/90/1366454790.db2.gz RYUISIVYCLYNBL-GOSISDBHSA-N 1 2 338.455 3.040 20 30 EGEDLO C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C(F)C(F)(F)F)CCC1 ZINC001105539199 1366518051 /nfs/dbraw/zinc/51/80/51/1366518051.db2.gz BCKRVALVNCVXQI-STQMWFEESA-N 1 2 336.373 3.214 20 30 EGEDLO C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H](F)C(F)(F)F)CCC1 ZINC001105539199 1366518055 /nfs/dbraw/zinc/51/80/55/1366518055.db2.gz BCKRVALVNCVXQI-STQMWFEESA-N 1 2 336.373 3.214 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]2[C@@H](CCN2c2nc(C)[nH+]c(C)c2C)C1 ZINC001105630415 1366552651 /nfs/dbraw/zinc/55/26/51/1366552651.db2.gz MJBCXSFTVLYFBG-ZWKOTPCHSA-N 1 2 342.487 3.185 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCC[C@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001105645503 1366557545 /nfs/dbraw/zinc/55/75/45/1366557545.db2.gz BHJOCFBWOBQBGX-HOTGVXAUSA-N 1 2 328.460 3.325 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H](CC)CC(C)C)CC2)C1 ZINC001105731001 1366588241 /nfs/dbraw/zinc/58/82/41/1366588241.db2.gz HTUYZKRWJXQNKO-QGZVFWFLSA-N 1 2 336.520 3.327 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N(CC)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001106924107 1366834786 /nfs/dbraw/zinc/83/47/86/1366834786.db2.gz QKPLXTJSQLUKTN-CABCVRRESA-N 1 2 344.503 3.382 20 30 EGEDLO C=CC(C)(C)CC(=O)NC/C=C\CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107362176 1366943162 /nfs/dbraw/zinc/94/31/62/1366943162.db2.gz YLCBAYONIHSLGP-SREVYHEPSA-N 1 2 328.460 3.349 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NC/C=C/CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107456248 1366969848 /nfs/dbraw/zinc/96/98/48/1366969848.db2.gz KQDOFYRLSWNRQK-MATWNZDUSA-N 1 2 342.487 3.206 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001109189121 1366993764 /nfs/dbraw/zinc/99/37/64/1366993764.db2.gz HLCYGHGVXLKXNW-HNNXBMFYSA-N 1 2 332.492 3.452 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC/C=C\CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107495342 1366994659 /nfs/dbraw/zinc/99/46/59/1366994659.db2.gz GTWCJYKNKGSXBG-QULHZPMSSA-N 1 2 328.460 3.349 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H](C)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001109202600 1367000017 /nfs/dbraw/zinc/00/00/17/1367000017.db2.gz HXNFEMGLRGVGKY-CVEARBPZSA-N 1 2 332.492 3.452 20 30 EGEDLO C=CCC1(C(=O)N[C@H](C)CN(C)c2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001109215837 1367007463 /nfs/dbraw/zinc/00/74/63/1367007463.db2.gz ABDITWAHSLEBSP-OAHLLOKOSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nncs1)CC2 ZINC001107514569 1367012736 /nfs/dbraw/zinc/01/27/36/1367012736.db2.gz MIGXJLQKWFXJOI-IIDMSEBBSA-N 1 2 348.516 3.001 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nncs1)CC2 ZINC001107514569 1367012738 /nfs/dbraw/zinc/01/27/38/1367012738.db2.gz MIGXJLQKWFXJOI-IIDMSEBBSA-N 1 2 348.516 3.001 20 30 EGEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)s1 ZINC001109251598 1367027514 /nfs/dbraw/zinc/02/75/14/1367027514.db2.gz BFCCYNBQFDIYTF-SNPRPXQTSA-N 1 2 334.872 3.036 20 30 EGEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)s1 ZINC001109251598 1367027519 /nfs/dbraw/zinc/02/75/19/1367027519.db2.gz BFCCYNBQFDIYTF-SNPRPXQTSA-N 1 2 334.872 3.036 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C(C)(C)C ZINC001109451499 1367130277 /nfs/dbraw/zinc/13/02/77/1367130277.db2.gz PUIZGIPTOGUTQO-VLQPXKRTSA-N 1 2 339.483 3.462 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C(C)(C)C ZINC001109451499 1367130284 /nfs/dbraw/zinc/13/02/84/1367130284.db2.gz PUIZGIPTOGUTQO-VLQPXKRTSA-N 1 2 339.483 3.462 20 30 EGEDLO C[N@H+](Cc1c(F)cccc1F)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190076524 1367167695 /nfs/dbraw/zinc/16/76/95/1367167695.db2.gz QXTQQIOHRZVSKV-CQSZACIVSA-N 1 2 334.410 3.047 20 30 EGEDLO C[N@@H+](Cc1c(F)cccc1F)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190076524 1367167699 /nfs/dbraw/zinc/16/76/99/1367167699.db2.gz QXTQQIOHRZVSKV-CQSZACIVSA-N 1 2 334.410 3.047 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@@]1(C)C[N@H+](Cc2ccsc2)CCO1 ZINC001107967527 1367222265 /nfs/dbraw/zinc/22/22/65/1367222265.db2.gz SVTHHRRTSOGUGZ-IBGZPJMESA-N 1 2 348.512 3.224 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@@]1(C)C[N@@H+](Cc2ccsc2)CCO1 ZINC001107967527 1367222271 /nfs/dbraw/zinc/22/22/71/1367222271.db2.gz SVTHHRRTSOGUGZ-IBGZPJMESA-N 1 2 348.512 3.224 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccccc2C(C)(C)CC)C1 ZINC001108018950 1367242511 /nfs/dbraw/zinc/24/25/11/1367242511.db2.gz WPWQRPFXTVTETG-OAQYLSRUSA-N 1 2 344.499 3.381 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccccc2C(C)(C)CC)C1 ZINC001108018950 1367242514 /nfs/dbraw/zinc/24/25/14/1367242514.db2.gz WPWQRPFXTVTETG-OAQYLSRUSA-N 1 2 344.499 3.381 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001109634776 1367254087 /nfs/dbraw/zinc/25/40/87/1367254087.db2.gz XCDMIPSEZDOUSX-ZSGPHXLJSA-N 1 2 331.435 3.045 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001109634776 1367254093 /nfs/dbraw/zinc/25/40/93/1367254093.db2.gz XCDMIPSEZDOUSX-ZSGPHXLJSA-N 1 2 331.435 3.045 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001190398118 1367254136 /nfs/dbraw/zinc/25/41/36/1367254136.db2.gz QQKPCPMSENTAMY-HNNXBMFYSA-N 1 2 331.460 3.187 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001190398118 1367254142 /nfs/dbraw/zinc/25/41/42/1367254142.db2.gz QQKPCPMSENTAMY-HNNXBMFYSA-N 1 2 331.460 3.187 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001108061086 1367263195 /nfs/dbraw/zinc/26/31/95/1367263195.db2.gz VWWMPQWRUVXOEH-CYBMUJFWSA-N 1 2 330.476 3.183 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(C3CC3)oc2C2CC2)C1 ZINC001108086643 1367276404 /nfs/dbraw/zinc/27/64/04/1367276404.db2.gz RSVLKMXNVDLLNI-FQEVSTJZSA-N 1 2 344.455 3.041 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(C3CC3)oc2C2CC2)C1 ZINC001108086643 1367276410 /nfs/dbraw/zinc/27/64/10/1367276410.db2.gz RSVLKMXNVDLLNI-FQEVSTJZSA-N 1 2 344.455 3.041 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc(C)oc2C)CC1 ZINC001109681956 1367279249 /nfs/dbraw/zinc/27/92/49/1367279249.db2.gz NQDMXULRSICXPH-RYRKJORJSA-N 1 2 343.471 3.259 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc(C)oc2C)CC1 ZINC001109681956 1367279253 /nfs/dbraw/zinc/27/92/53/1367279253.db2.gz NQDMXULRSICXPH-RYRKJORJSA-N 1 2 343.471 3.259 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@]1(C)C[N@H+]([C@@H](C)c2cccc(F)c2)CCO1 ZINC001108122152 1367292670 /nfs/dbraw/zinc/29/26/70/1367292670.db2.gz OBNZYVZXLMIAMK-MGPUTAFESA-N 1 2 348.462 3.306 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@]1(C)C[N@@H+]([C@@H](C)c2cccc(F)c2)CCO1 ZINC001108122152 1367292673 /nfs/dbraw/zinc/29/26/73/1367292673.db2.gz OBNZYVZXLMIAMK-MGPUTAFESA-N 1 2 348.462 3.306 20 30 EGEDLO C#CCC1(C(=O)N[C@@H](CNc2cc[nH+]c(C)n2)C2CC2)CCCCC1 ZINC001109864316 1367369436 /nfs/dbraw/zinc/36/94/36/1367369436.db2.gz XOOYNKRLUBAAND-KRWDZBQOSA-N 1 2 340.471 3.066 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CC(C)(C)C2CCCCC2)C1 ZINC001108342070 1367400683 /nfs/dbraw/zinc/40/06/83/1367400683.db2.gz BTHYPQIEWOEDKF-OAQYLSRUSA-N 1 2 348.531 3.213 20 30 EGEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CC(C)(C)C2CCCCC2)C1 ZINC001108342070 1367400687 /nfs/dbraw/zinc/40/06/87/1367400687.db2.gz BTHYPQIEWOEDKF-OAQYLSRUSA-N 1 2 348.531 3.213 20 30 EGEDLO C[N@@H+]1CCc2c(C#N)c(NC(=O)NC3CCCCCC3)sc2C1 ZINC001191242061 1367456281 /nfs/dbraw/zinc/45/62/81/1367456281.db2.gz YTMQCCAJBLRASO-UHFFFAOYSA-N 1 2 332.473 3.452 20 30 EGEDLO C[N@H+]1CCc2c(C#N)c(NC(=O)NC3CCCCCC3)sc2C1 ZINC001191242061 1367456286 /nfs/dbraw/zinc/45/62/86/1367456286.db2.gz YTMQCCAJBLRASO-UHFFFAOYSA-N 1 2 332.473 3.452 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccccc1CC)C2 ZINC001110061362 1367488719 /nfs/dbraw/zinc/48/87/19/1367488719.db2.gz MWWONOAIQPKCSU-IKGGRYGDSA-N 1 2 348.874 3.102 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccccc1CC)C2 ZINC001110061362 1367488721 /nfs/dbraw/zinc/48/87/21/1367488721.db2.gz MWWONOAIQPKCSU-IKGGRYGDSA-N 1 2 348.874 3.102 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001108560230 1367488984 /nfs/dbraw/zinc/48/89/84/1367488984.db2.gz OEMPMFGVOSQRSS-ZDUSSCGKSA-N 1 2 330.476 3.183 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)CCCC2CC2)C1 ZINC001191858890 1367615609 /nfs/dbraw/zinc/61/56/09/1367615609.db2.gz DMOAUAPZLFRBEU-CQSZACIVSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)CCCC2CC2)C1 ZINC001191858890 1367615612 /nfs/dbraw/zinc/61/56/12/1367615612.db2.gz DMOAUAPZLFRBEU-CQSZACIVSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2nc(C)c(C)s2)C1 ZINC001191868629 1367622297 /nfs/dbraw/zinc/62/22/97/1367622297.db2.gz XBCFFACFPGHSBR-XJKSGUPXSA-N 1 2 335.517 3.395 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(C)c(C)s2)C1 ZINC001191868629 1367622303 /nfs/dbraw/zinc/62/23/03/1367622303.db2.gz XBCFFACFPGHSBR-XJKSGUPXSA-N 1 2 335.517 3.395 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC001191889075 1367626178 /nfs/dbraw/zinc/62/61/78/1367626178.db2.gz AJGDIWQBNBYDBA-JKSUJKDBSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC001191889075 1367626186 /nfs/dbraw/zinc/62/61/86/1367626186.db2.gz AJGDIWQBNBYDBA-JKSUJKDBSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2csc(CC)n2)C1 ZINC001191911399 1367634812 /nfs/dbraw/zinc/63/48/12/1367634812.db2.gz FPNUNVBGSLMDCY-GOEBONIOSA-N 1 2 335.517 3.341 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2csc(CC)n2)C1 ZINC001191911399 1367634819 /nfs/dbraw/zinc/63/48/19/1367634819.db2.gz FPNUNVBGSLMDCY-GOEBONIOSA-N 1 2 335.517 3.341 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2noc3c2CCCC3)C1 ZINC001191913601 1367637867 /nfs/dbraw/zinc/63/78/67/1367637867.db2.gz ZMRZZSNOPWIDBU-HOTGVXAUSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2noc3c2CCCC3)C1 ZINC001191913601 1367637870 /nfs/dbraw/zinc/63/78/70/1367637870.db2.gz ZMRZZSNOPWIDBU-HOTGVXAUSA-N 1 2 345.487 3.188 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(-c3ccco3)on2)C1 ZINC001192073758 1367681785 /nfs/dbraw/zinc/68/17/85/1367681785.db2.gz WKIAAHZSHHDTAG-MRXNPFEDSA-N 1 2 343.427 3.324 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccco3)on2)C1 ZINC001192073758 1367681788 /nfs/dbraw/zinc/68/17/88/1367681788.db2.gz WKIAAHZSHHDTAG-MRXNPFEDSA-N 1 2 343.427 3.324 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(F)cccc1F ZINC001110459312 1367748015 /nfs/dbraw/zinc/74/80/15/1367748015.db2.gz FHNBZRVJBQJAQW-ZMYBRWDISA-N 1 2 346.421 3.380 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(F)cccc1F ZINC001110459312 1367748019 /nfs/dbraw/zinc/74/80/19/1367748019.db2.gz FHNBZRVJBQJAQW-ZMYBRWDISA-N 1 2 346.421 3.380 20 30 EGEDLO C#CCC1(C(=O)N[C@@H](C)CN(C)c2cc(C)[nH+]c(C(C)C)n2)CCC1 ZINC001109127040 1367783937 /nfs/dbraw/zinc/78/39/37/1367783937.db2.gz TZKDTFVHNHMLHK-INIZCTEOSA-N 1 2 342.487 3.043 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)C[C@H]1C ZINC001110519872 1367799022 /nfs/dbraw/zinc/79/90/22/1367799022.db2.gz FORRZVAXKDEXKQ-PBHICJAKSA-N 1 2 328.460 3.345 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(Cl)c1 ZINC001110533892 1367813961 /nfs/dbraw/zinc/81/39/61/1367813961.db2.gz LFCCNJAFPUMPJI-OLMNPRSZSA-N 1 2 348.849 3.360 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(Cl)c1 ZINC001110533892 1367813965 /nfs/dbraw/zinc/81/39/65/1367813965.db2.gz LFCCNJAFPUMPJI-OLMNPRSZSA-N 1 2 348.849 3.360 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1Cl ZINC001110534167 1367814151 /nfs/dbraw/zinc/81/41/51/1367814151.db2.gz SOPJACQOYLYTQX-NXHRZFHOSA-N 1 2 348.849 3.360 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1Cl ZINC001110534167 1367814154 /nfs/dbraw/zinc/81/41/54/1367814154.db2.gz SOPJACQOYLYTQX-NXHRZFHOSA-N 1 2 348.849 3.360 20 30 EGEDLO O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1Cl ZINC001110539464 1367818818 /nfs/dbraw/zinc/81/88/18/1367818818.db2.gz UPVUYPITGCWOCK-OIISXLGYSA-N 1 2 346.833 3.114 20 30 EGEDLO O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1Cl ZINC001110539464 1367818822 /nfs/dbraw/zinc/81/88/22/1367818822.db2.gz UPVUYPITGCWOCK-OIISXLGYSA-N 1 2 346.833 3.114 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccncc1Cl ZINC001110607494 1367869686 /nfs/dbraw/zinc/86/96/86/1367869686.db2.gz WVXZBBFAFMCJCF-OIISXLGYSA-N 1 2 333.863 3.313 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccncc1Cl ZINC001110607494 1367869689 /nfs/dbraw/zinc/86/96/89/1367869689.db2.gz WVXZBBFAFMCJCF-OIISXLGYSA-N 1 2 333.863 3.313 20 30 EGEDLO C#CCN(C(=O)CC[C@@H](C)CC)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110626345 1367874126 /nfs/dbraw/zinc/87/41/26/1367874126.db2.gz WUASPAOPRYRCTL-INIZCTEOSA-N 1 2 342.487 3.042 20 30 EGEDLO C#CCCCCC(=O)N[C@H](CNc1cc[nH+]c(C)n1)C1CCCC1 ZINC001110661336 1367903595 /nfs/dbraw/zinc/90/35/95/1367903595.db2.gz YMVZHTJLYYKFKA-QGZVFWFLSA-N 1 2 328.460 3.066 20 30 EGEDLO CC#CCCCC(=O)N[C@H](CNc1cc[nH+]c(C)n1)C1CCCC1 ZINC001110672958 1367912742 /nfs/dbraw/zinc/91/27/42/1367912742.db2.gz LNYHLTKLADCXNX-QGZVFWFLSA-N 1 2 328.460 3.066 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H](CNc1cc[nH+]c(C)n1)C1CCCC1 ZINC001110675849 1367917170 /nfs/dbraw/zinc/91/71/70/1367917170.db2.gz ISVLLVWNTRASCE-APWZRJJASA-N 1 2 330.476 3.474 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H](CNc1cc[nH+]c(C)n1)C1CCCC1 ZINC001110682269 1367924272 /nfs/dbraw/zinc/92/42/72/1367924272.db2.gz PITSCSKMEGUFGM-MRXNPFEDSA-N 1 2 330.476 3.474 20 30 EGEDLO C=CCCCC(=O)N[C@]1(C)CCN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC001110808307 1368002597 /nfs/dbraw/zinc/00/25/97/1368002597.db2.gz ZNRYPQRGSJEEKT-HXUWFJFHSA-N 1 2 342.487 3.105 20 30 EGEDLO C=CC1(CC(=O)N2CC[C@@H]([NH2+][C@H](C)c3nc(C)no3)C2)CCCCC1 ZINC001186280509 1387913676 /nfs/dbraw/zinc/91/36/76/1387913676.db2.gz CIERJHMOJMDZRT-GDBMZVCRSA-N 1 2 346.475 3.156 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)cs1 ZINC001110934946 1368104808 /nfs/dbraw/zinc/10/48/08/1368104808.db2.gz SAKNWMKSKCPDQW-FPCVCCKLSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001110934946 1368104810 /nfs/dbraw/zinc/10/48/10/1368104810.db2.gz SAKNWMKSKCPDQW-FPCVCCKLSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001110936410 1368106742 /nfs/dbraw/zinc/10/67/42/1368106742.db2.gz MDUGGAAUVYFVST-LIRZEXBASA-N 1 2 331.435 3.045 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1 ZINC001110936410 1368106746 /nfs/dbraw/zinc/10/67/46/1368106746.db2.gz MDUGGAAUVYFVST-LIRZEXBASA-N 1 2 331.435 3.045 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC001110957381 1368123059 /nfs/dbraw/zinc/12/30/59/1368123059.db2.gz PFLQXTUTZAGBGT-RTBURBONSA-N 1 2 330.476 3.110 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc(C)cs2)CCC1 ZINC001110986926 1368133588 /nfs/dbraw/zinc/13/35/88/1368133588.db2.gz ANYYFMOENBLSMU-OAGGEKHMSA-N 1 2 345.512 3.419 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc(C)cs2)CCC1 ZINC001110986926 1368133592 /nfs/dbraw/zinc/13/35/92/1368133592.db2.gz ANYYFMOENBLSMU-OAGGEKHMSA-N 1 2 345.512 3.419 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc(C)oc2C)CCC1 ZINC001110987068 1368134495 /nfs/dbraw/zinc/13/44/95/1368134495.db2.gz IFKNLYJRYOWWBX-NUJGCVRESA-N 1 2 343.471 3.259 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc(C)oc2C)CCC1 ZINC001110987068 1368134497 /nfs/dbraw/zinc/13/44/97/1368134497.db2.gz IFKNLYJRYOWWBX-NUJGCVRESA-N 1 2 343.471 3.259 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001111072176 1368152302 /nfs/dbraw/zinc/15/23/02/1368152302.db2.gz FLVRMLACAIDNSV-QRVBRYPASA-N 1 2 337.467 3.382 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001111072176 1368152307 /nfs/dbraw/zinc/15/23/07/1368152307.db2.gz FLVRMLACAIDNSV-QRVBRYPASA-N 1 2 337.467 3.382 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1cccnc1)C(C)C)C2 ZINC001111187565 1368183064 /nfs/dbraw/zinc/18/30/64/1368183064.db2.gz YEBRWUDEVRIRDR-ZJPYXAASSA-N 1 2 347.890 3.295 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1cccnc1)C(C)C)C2 ZINC001111187565 1368183069 /nfs/dbraw/zinc/18/30/69/1368183069.db2.gz YEBRWUDEVRIRDR-ZJPYXAASSA-N 1 2 347.890 3.295 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]([C@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001111210288 1368190443 /nfs/dbraw/zinc/19/04/43/1368190443.db2.gz CCRLNVQTLONYOV-HOCLYGCPSA-N 1 2 328.460 3.278 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]([C@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001111229644 1368205051 /nfs/dbraw/zinc/20/50/51/1368205051.db2.gz HVBYGHSAQNFRRW-RDJZCZTQSA-N 1 2 328.460 3.018 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H]([C@@H](C)Nc3cc[nH+]c(C)n3)C2)CC1 ZINC001111231217 1368207210 /nfs/dbraw/zinc/20/72/10/1368207210.db2.gz WOKKEXMOTNWMRM-GDBMZVCRSA-N 1 2 328.460 3.180 20 30 EGEDLO C#CCCCCC(=O)NC[C@H]1CC[C@H](CNc2cc[nH+]c(C)n2)CC1 ZINC001111274592 1368241364 /nfs/dbraw/zinc/24/13/64/1368241364.db2.gz BIGJSGGEMFHCSN-IYARVYRRSA-N 1 2 342.487 3.313 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](OCC)c1ccccc1)C2 ZINC001111496029 1368321270 /nfs/dbraw/zinc/32/12/70/1368321270.db2.gz KFXFBASJSYJVAH-BDXSIMOUSA-N 1 2 348.874 3.238 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](OCC)c1ccccc1)C2 ZINC001111496029 1368321273 /nfs/dbraw/zinc/32/12/73/1368321273.db2.gz KFXFBASJSYJVAH-BDXSIMOUSA-N 1 2 348.874 3.238 20 30 EGEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncc(C(C)(C)C)o1)C2 ZINC001111648743 1368411501 /nfs/dbraw/zinc/41/15/01/1368411501.db2.gz MFKDFVICSAEXJP-YWZLYKJASA-N 1 2 345.487 3.409 20 30 EGEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncc(C(C)(C)C)o1)C2 ZINC001111648743 1368411505 /nfs/dbraw/zinc/41/15/05/1368411505.db2.gz MFKDFVICSAEXJP-YWZLYKJASA-N 1 2 345.487 3.409 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001112002135 1368606541 /nfs/dbraw/zinc/60/65/41/1368606541.db2.gz SUCOORAZVWMTKU-AWEZNQCLSA-N 1 2 336.867 3.039 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CCCN(c3cc[nH+]c(C)n3)CC2)CCC1 ZINC001112011076 1368615707 /nfs/dbraw/zinc/61/57/07/1368615707.db2.gz ZQAWACISQVFIPK-MRXNPFEDSA-N 1 2 328.460 3.007 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001196852686 1368698849 /nfs/dbraw/zinc/69/88/49/1368698849.db2.gz CECZIPDWXWTHKY-HZPDHXFCSA-N 1 2 343.446 3.190 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001196852686 1368698853 /nfs/dbraw/zinc/69/88/53/1368698853.db2.gz CECZIPDWXWTHKY-HZPDHXFCSA-N 1 2 343.446 3.190 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001196881766 1368706223 /nfs/dbraw/zinc/70/62/23/1368706223.db2.gz YBSPQQBDHDRWCH-HNNXBMFYSA-N 1 2 331.485 3.256 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001196881766 1368706229 /nfs/dbraw/zinc/70/62/29/1368706229.db2.gz YBSPQQBDHDRWCH-HNNXBMFYSA-N 1 2 331.485 3.256 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC(CC)(Nc2cc[nH+]c(C)n2)CC1 ZINC001112210422 1368719902 /nfs/dbraw/zinc/71/99/02/1368719902.db2.gz NANLUOHJHRMTHH-LSDHHAIUSA-N 1 2 330.476 3.426 20 30 EGEDLO C=CCCCCC[N@H+]1CCCN(C(=O)c2cc(C(F)F)[nH]n2)CC1 ZINC001197125541 1368749640 /nfs/dbraw/zinc/74/96/40/1368749640.db2.gz CPPBMKNCDAFPIT-UHFFFAOYSA-N 1 2 340.418 3.242 20 30 EGEDLO C=CCCCC(=O)N1C[C@@H](C)[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001112335686 1368774039 /nfs/dbraw/zinc/77/40/39/1368774039.db2.gz GKNFDTFSMWVICA-KDOFPFPSSA-N 1 2 342.487 3.279 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[N@@H+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC001197291644 1368780861 /nfs/dbraw/zinc/78/08/61/1368780861.db2.gz JFDXEVMASGXRNT-UHFFFAOYSA-N 1 2 346.519 3.275 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[N@H+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC001197291644 1368780863 /nfs/dbraw/zinc/78/08/63/1368780863.db2.gz JFDXEVMASGXRNT-UHFFFAOYSA-N 1 2 346.519 3.275 20 30 EGEDLO CCCCCCCC(=O)c1ccc(O)c(C(=O)NCC[NH+](C)C)c1 ZINC001197356178 1368796398 /nfs/dbraw/zinc/79/63/98/1368796398.db2.gz ANHDSLUTFCIRKS-UHFFFAOYSA-N 1 2 334.460 3.227 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CCN(c3cc[nH+]c(C)n3)CC2(C)C)CC1 ZINC001112384732 1368813431 /nfs/dbraw/zinc/81/34/31/1368813431.db2.gz UWIIUNSTZPAQLB-INIZCTEOSA-N 1 2 342.487 3.253 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CCN(c3cc[nH+]c(C)n3)C[C@H]2C)CCCC1 ZINC001112416328 1368833736 /nfs/dbraw/zinc/83/37/36/1368833736.db2.gz AZZORZSLHJAQJU-WBVHZDCISA-N 1 2 342.487 3.253 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001112420988 1368835805 /nfs/dbraw/zinc/83/58/05/1368835805.db2.gz CQLJWZRSVFBKBF-DYVFJYSZSA-N 1 2 344.503 3.335 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001112424822 1368840469 /nfs/dbraw/zinc/84/04/69/1368840469.db2.gz UFEKCGVDHXQULC-PBHICJAKSA-N 1 2 342.487 3.350 20 30 EGEDLO CC[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001197586678 1368845767 /nfs/dbraw/zinc/84/57/67/1368845767.db2.gz JMDNQELKMDNHAX-JKSUJKDBSA-N 1 2 345.462 3.414 20 30 EGEDLO CC[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001197586678 1368845774 /nfs/dbraw/zinc/84/57/74/1368845774.db2.gz JMDNQELKMDNHAX-JKSUJKDBSA-N 1 2 345.462 3.414 20 30 EGEDLO CC(C)C[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001197596841 1368850040 /nfs/dbraw/zinc/85/00/40/1368850040.db2.gz KEISWJULFAWKGF-HNNXBMFYSA-N 1 2 333.501 3.336 20 30 EGEDLO CC(C)C[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001197596841 1368850043 /nfs/dbraw/zinc/85/00/43/1368850043.db2.gz KEISWJULFAWKGF-HNNXBMFYSA-N 1 2 333.501 3.336 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@H](C)C1 ZINC001112502884 1368902422 /nfs/dbraw/zinc/90/24/22/1368902422.db2.gz VVPAPZCQDUPPIW-GDBMZVCRSA-N 1 2 342.487 3.348 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001112630813 1368960688 /nfs/dbraw/zinc/96/06/88/1368960688.db2.gz YBMKYPNDBOFDFB-MRXNPFEDSA-N 1 2 330.476 3.205 20 30 EGEDLO C=CC(C)(C)CC(=O)N(C)[C@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001112630786 1368960789 /nfs/dbraw/zinc/96/07/89/1368960789.db2.gz XABSLJVBXQCUDV-INIZCTEOSA-N 1 2 330.476 3.205 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+]([C@H](CC)c2ccc(F)cc2)CC1 ZINC001112671895 1368975305 /nfs/dbraw/zinc/97/53/05/1368975305.db2.gz VKXXIROQZCLEPG-QFBILLFUSA-N 1 2 348.462 3.402 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@H]([C@H]2CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001112811689 1369024072 /nfs/dbraw/zinc/02/40/72/1369024072.db2.gz UKKATHFBCYADMU-ROUUACIJSA-N 1 2 342.487 3.206 20 30 EGEDLO CC(C)C#CC(=O)N1CC[NH+](CCCc2ccccc2Cl)CC1 ZINC001112833180 1369034710 /nfs/dbraw/zinc/03/47/10/1369034710.db2.gz LFVAMOHIOJLBBW-UHFFFAOYSA-N 1 2 332.875 3.076 20 30 EGEDLO C=C(C)CCC(=O)NC1CC(CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001112855727 1369049275 /nfs/dbraw/zinc/04/92/75/1369049275.db2.gz IKOHEXWMASBCHD-UHFFFAOYSA-N 1 2 342.487 3.327 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)c1ccoc1C)c1ccccc1OC ZINC001198522150 1369051849 /nfs/dbraw/zinc/05/18/49/1369051849.db2.gz HSZPDXBBDCOLLG-MRXNPFEDSA-N 1 2 348.830 3.410 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[NH+](Cc2ccc(COC)cc2)CC1 ZINC001112880613 1369065017 /nfs/dbraw/zinc/06/50/17/1369065017.db2.gz LHBGOXUCCXONJS-UHFFFAOYSA-N 1 2 342.483 3.246 20 30 EGEDLO C=CCCC(=O)NC[C@H]([NH2+]Cc1ccns1)c1ccccc1OC ZINC001198595216 1369068565 /nfs/dbraw/zinc/06/85/65/1369068565.db2.gz HWTHOUSRQAVJOB-INIZCTEOSA-N 1 2 345.468 3.065 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)c1ccccc1OC ZINC001198857543 1369131755 /nfs/dbraw/zinc/13/17/55/1369131755.db2.gz QUPNBXMNDMFGBF-HWMZRRJGSA-N 1 2 348.874 3.241 20 30 EGEDLO CC#CCCCC(=O)N[C@@H](C)[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001113262581 1369299172 /nfs/dbraw/zinc/29/91/72/1369299172.db2.gz VKHJQHWVMKHVTF-CABCVRRESA-N 1 2 328.460 3.161 20 30 EGEDLO C=CCCC1(C(=O)N2CC[NH+](CCO[C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC001113305515 1369333790 /nfs/dbraw/zinc/33/37/90/1369333790.db2.gz SVWNWHJIFABMIK-OALUTQOASA-N 1 2 348.531 3.472 20 30 EGEDLO CCCCCCCCCNC(=S)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC001200374036 1369356880 /nfs/dbraw/zinc/35/68/80/1369356880.db2.gz ILRBUCHAKFWJAY-QGZVFWFLSA-N 1 2 341.565 3.018 20 30 EGEDLO C#CCCCC(=O)N(C)CC(C)(C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001113417922 1369412770 /nfs/dbraw/zinc/41/27/70/1369412770.db2.gz AIPQHYZVFPPYPG-UHFFFAOYSA-N 1 2 342.487 3.362 20 30 EGEDLO C=C(C)[C@H](CC(=O)N(C)CC(C)(C)CNc1cc[nH+]c(C)n1)OCC ZINC001113439231 1369428783 /nfs/dbraw/zinc/42/87/83/1369428783.db2.gz LABBYIDWJUXBQI-INIZCTEOSA-N 1 2 348.491 3.053 20 30 EGEDLO C#CCCCC(=O)NC[C@@H](C)N(C)c1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001113583187 1369502464 /nfs/dbraw/zinc/50/24/64/1369502464.db2.gz ZBYIJBKTPWELIC-MRXNPFEDSA-N 1 2 344.503 3.468 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](CCc3ccns3)CC2)CCCCC1 ZINC001113670465 1369557134 /nfs/dbraw/zinc/55/71/34/1369557134.db2.gz LMCIXLLYBUMNNH-UHFFFAOYSA-N 1 2 347.528 3.356 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](C)N(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001113850924 1369632860 /nfs/dbraw/zinc/63/28/60/1369632860.db2.gz CNDFYLIEBSYZMY-JLTOFOAXSA-N 1 2 344.503 3.207 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H](C)N(C)c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001113850940 1369633017 /nfs/dbraw/zinc/63/30/17/1369633017.db2.gz CZBMSHUGUGCJLW-HNNXBMFYSA-N 1 2 342.487 3.350 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)CC[C@H]1C ZINC001114023782 1369689200 /nfs/dbraw/zinc/68/92/00/1369689200.db2.gz JTUAUGNGELPMFN-WBVHZDCISA-N 1 2 342.487 3.043 20 30 EGEDLO C=C[C@H](C(=O)N[C@H](C)CCCNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001114948292 1370171215 /nfs/dbraw/zinc/17/12/15/1370171215.db2.gz ANYVARBRWSZOJI-QAPCUYQASA-N 1 2 338.455 3.452 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1cc(Cl)ccc1O ZINC001203657149 1370203415 /nfs/dbraw/zinc/20/34/15/1370203415.db2.gz GOHUMUKQANXBKP-INIZCTEOSA-N 1 2 347.846 3.081 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1cc(Cl)ccc1O ZINC001203657149 1370203416 /nfs/dbraw/zinc/20/34/16/1370203416.db2.gz GOHUMUKQANXBKP-INIZCTEOSA-N 1 2 347.846 3.081 20 30 EGEDLO CCC[N@H+](CCC#N)Cc1cc(Br)c(O)c(OC)c1 ZINC001204103175 1370378509 /nfs/dbraw/zinc/37/85/09/1370378509.db2.gz IQQMWEDUWOJTQY-UHFFFAOYSA-N 1 2 327.222 3.289 20 30 EGEDLO CCC[N@@H+](CCC#N)Cc1cc(Br)c(O)c(OC)c1 ZINC001204103175 1370378511 /nfs/dbraw/zinc/37/85/11/1370378511.db2.gz IQQMWEDUWOJTQY-UHFFFAOYSA-N 1 2 327.222 3.289 20 30 EGEDLO C=C1CCC(C(=O)NCC[C@@H](Nc2cc[nH+]c(C)n2)C(C)C)CC1 ZINC001115355261 1370404285 /nfs/dbraw/zinc/40/42/85/1370404285.db2.gz PXRBBFZZNXLZHF-QGZVFWFLSA-N 1 2 330.476 3.474 20 30 EGEDLO C=CCOc1ccc(C[NH+]2CCN(c3nccnc3Cl)CC2)cc1 ZINC001204297769 1370435323 /nfs/dbraw/zinc/43/53/23/1370435323.db2.gz QYKYEAUIUSULQA-UHFFFAOYSA-N 1 2 344.846 3.017 20 30 EGEDLO CC(=O)n1cc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)c2ccccc21 ZINC001204409935 1370469289 /nfs/dbraw/zinc/46/92/89/1370469289.db2.gz XGMZGFPQHUARDO-KRWDZBQOSA-N 1 2 326.421 3.076 20 30 EGEDLO CC(=O)n1cc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)c2ccccc21 ZINC001204409935 1370469290 /nfs/dbraw/zinc/46/92/90/1370469290.db2.gz XGMZGFPQHUARDO-KRWDZBQOSA-N 1 2 326.421 3.076 20 30 EGEDLO CCOC(=O)c1cc(C#N)c(Nc2ccn3cc[nH+]c3c2)c(C)c1O ZINC001204982656 1370620387 /nfs/dbraw/zinc/62/03/87/1370620387.db2.gz CKSACAQXBGAUPB-UHFFFAOYSA-N 1 2 336.351 3.140 20 30 EGEDLO CCC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206502065 1371074944 /nfs/dbraw/zinc/07/49/44/1371074944.db2.gz LHEOTMBORJGTPU-SPYBWZPUSA-N 1 2 345.462 3.460 20 30 EGEDLO CCC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206502065 1371074949 /nfs/dbraw/zinc/07/49/49/1371074949.db2.gz LHEOTMBORJGTPU-SPYBWZPUSA-N 1 2 345.462 3.460 20 30 EGEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1cc(C2(C#N)CC2)ccn1 ZINC001206503150 1371075677 /nfs/dbraw/zinc/07/56/77/1371075677.db2.gz PUFQWFCADZEGKO-UHFFFAOYSA-N 1 2 349.434 3.145 20 30 EGEDLO CC(C)[C@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206545861 1371090566 /nfs/dbraw/zinc/09/05/66/1371090566.db2.gz ZSBBFCFSGUWIJU-SPYBWZPUSA-N 1 2 345.462 3.316 20 30 EGEDLO CC(C)[C@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206545861 1371090571 /nfs/dbraw/zinc/09/05/71/1371090571.db2.gz ZSBBFCFSGUWIJU-SPYBWZPUSA-N 1 2 345.462 3.316 20 30 EGEDLO Cc1[nH+]c2c(Br)cc(C)cn2c1Nc1ccnc(C#N)c1 ZINC001206607086 1371107921 /nfs/dbraw/zinc/10/79/21/1371107921.db2.gz JQOZVAMENGQKAQ-UHFFFAOYSA-N 1 2 342.200 3.146 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2c(F)cccc2Cl)C[C@H]1C ZINC001206938343 1371234134 /nfs/dbraw/zinc/23/41/34/1371234134.db2.gz SLTWZELSOGKCAM-CXAGYDPISA-N 1 2 336.838 3.075 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2c(F)cccc2Cl)C[C@H]1C ZINC001206938343 1371234138 /nfs/dbraw/zinc/23/41/38/1371234138.db2.gz SLTWZELSOGKCAM-CXAGYDPISA-N 1 2 336.838 3.075 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nnc(CC(C)C)o2)C[C@H]1C ZINC001207216406 1371331364 /nfs/dbraw/zinc/33/13/64/1371331364.db2.gz ZODPUICWTZFOKB-OWCLPIDISA-N 1 2 348.491 3.122 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nnc(CC(C)C)o2)C[C@H]1C ZINC001207216406 1371331369 /nfs/dbraw/zinc/33/13/69/1371331369.db2.gz ZODPUICWTZFOKB-OWCLPIDISA-N 1 2 348.491 3.122 20 30 EGEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1CC[C@H](C)c1ccc(C)o1 ZINC001208163848 1371614197 /nfs/dbraw/zinc/61/41/97/1371614197.db2.gz WIISAFNIGPXWGA-YOEHRIQHSA-N 1 2 344.459 3.012 20 30 EGEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1CC[C@H](C)c1ccc(C)o1 ZINC001208163848 1371614200 /nfs/dbraw/zinc/61/42/00/1371614200.db2.gz WIISAFNIGPXWGA-YOEHRIQHSA-N 1 2 344.459 3.012 20 30 EGEDLO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCn3c(Br)nnc3C2)CC1 ZINC001208177654 1371618987 /nfs/dbraw/zinc/61/89/87/1371618987.db2.gz WMJOSRAAXLMLER-CYBMUJFWSA-N 1 2 337.265 3.159 20 30 EGEDLO C=C(C)[C@@H]1CC=C(C[N@H+]2CCn3c(Br)nnc3C2)CC1 ZINC001208177654 1371618991 /nfs/dbraw/zinc/61/89/91/1371618991.db2.gz WMJOSRAAXLMLER-CYBMUJFWSA-N 1 2 337.265 3.159 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001208291977 1371703702 /nfs/dbraw/zinc/70/37/02/1371703702.db2.gz DWPVWXPWEZPPPD-UKRRQHHQSA-N 1 2 335.879 3.274 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001208291977 1371703704 /nfs/dbraw/zinc/70/37/04/1371703704.db2.gz DWPVWXPWEZPPPD-UKRRQHHQSA-N 1 2 335.879 3.274 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ncc(C(C)C)o2)C[C@H]1C ZINC001208297971 1371705560 /nfs/dbraw/zinc/70/55/60/1371705560.db2.gz ANTXSUDSKUPSRK-HUUCEWRRSA-N 1 2 333.476 3.337 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C(C)C)o2)C[C@H]1C ZINC001208297971 1371705563 /nfs/dbraw/zinc/70/55/63/1371705563.db2.gz ANTXSUDSKUPSRK-HUUCEWRRSA-N 1 2 333.476 3.337 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CCC)c2ccccn2)C1 ZINC001208422132 1371762011 /nfs/dbraw/zinc/76/20/11/1371762011.db2.gz HHMMSDQYZMCUOC-FRFSOERESA-N 1 2 335.879 3.154 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CCC)c2ccccn2)C1 ZINC001208422132 1371762013 /nfs/dbraw/zinc/76/20/13/1371762013.db2.gz HHMMSDQYZMCUOC-FRFSOERESA-N 1 2 335.879 3.154 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccncc3Cl)C[C@H]2C)CCC1 ZINC001208498624 1371788975 /nfs/dbraw/zinc/78/89/75/1371788975.db2.gz ZYRNUKMLMUWDMO-RHSMWYFYSA-N 1 2 347.890 3.418 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccncc3Cl)C[C@H]2C)CCC1 ZINC001208498624 1371788976 /nfs/dbraw/zinc/78/89/76/1371788976.db2.gz ZYRNUKMLMUWDMO-RHSMWYFYSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2nc(CCCC)no2)C1 ZINC001209194982 1372033743 /nfs/dbraw/zinc/03/37/43/1372033743.db2.gz SOEPBUHIAUPHAB-HZPDHXFCSA-N 1 2 348.491 3.095 20 30 EGEDLO COC(=O)C1(C#N)CC[NH+](CCc2ccccc2C(F)(F)F)CC1 ZINC001209281428 1372057139 /nfs/dbraw/zinc/05/71/39/1372057139.db2.gz FVDLDMMMUXEMQG-UHFFFAOYSA-N 1 2 340.345 3.027 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@@H]([NH2+]Cc2nc(C3CCCC3)no2)C1 ZINC001209366807 1372078959 /nfs/dbraw/zinc/07/89/59/1372078959.db2.gz VWTRNSRCDHOCLX-MRXNPFEDSA-N 1 2 346.475 3.164 20 30 EGEDLO CCC(CC)CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001209791878 1372198845 /nfs/dbraw/zinc/19/88/45/1372198845.db2.gz KJHBPRHQBVEGIO-AUUYWEPGSA-N 1 2 345.462 3.460 20 30 EGEDLO CCC(CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001209791878 1372198847 /nfs/dbraw/zinc/19/88/47/1372198847.db2.gz KJHBPRHQBVEGIO-AUUYWEPGSA-N 1 2 345.462 3.460 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@H]([NH2+][C@H](C)c2nc(C(C)C)no2)C1 ZINC001209874195 1372219743 /nfs/dbraw/zinc/21/97/43/1372219743.db2.gz HHQVXZGUTFCPPX-CABCVRRESA-N 1 2 348.491 3.437 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC001209875615 1372219889 /nfs/dbraw/zinc/21/98/89/1372219889.db2.gz SEAYFCNFSCTWSU-CQSZACIVSA-N 1 2 348.491 3.050 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H]([NH2+][C@H](C)c2nc(C(C)C)no2)C1 ZINC001209874198 1372219980 /nfs/dbraw/zinc/21/99/80/1372219980.db2.gz HHQVXZGUTFCPPX-HUUCEWRRSA-N 1 2 348.491 3.437 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001122440736 1372248458 /nfs/dbraw/zinc/24/84/58/1372248458.db2.gz JWWQDJRIXZDOCP-IAGOWNOFSA-N 1 2 329.492 3.413 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001122440736 1372248462 /nfs/dbraw/zinc/24/84/62/1372248462.db2.gz JWWQDJRIXZDOCP-IAGOWNOFSA-N 1 2 329.492 3.413 20 30 EGEDLO N#C[C@H]1C[NH2+]CCN1Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC001210121008 1372275688 /nfs/dbraw/zinc/27/56/88/1372275688.db2.gz ITCZBZCQVPKDFS-KRWDZBQOSA-N 1 2 341.842 3.216 20 30 EGEDLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1cccc(OC)c1C#N ZINC001210124174 1372276242 /nfs/dbraw/zinc/27/62/42/1372276242.db2.gz QSXYGKIDKNHJEC-UHFFFAOYSA-N 1 2 349.394 3.462 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001122960658 1372348118 /nfs/dbraw/zinc/34/81/18/1372348118.db2.gz LRBLDKDDGDXCKV-DOTOQJQBSA-N 1 2 340.471 3.257 20 30 EGEDLO Cc1ccc(C#N)cc1Nc1ccc(N2CC[NH+](C3COC3)CC2)cc1 ZINC001210502757 1372368087 /nfs/dbraw/zinc/36/80/87/1372368087.db2.gz ZTIQERLUHDNMAS-UHFFFAOYSA-N 1 2 348.450 3.131 20 30 EGEDLO Cc1ccc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)c(C#N)c1 ZINC001210568228 1372380993 /nfs/dbraw/zinc/38/09/93/1372380993.db2.gz FTSMHNZJMMOZQA-UHFFFAOYSA-N 1 2 348.450 3.131 20 30 EGEDLO C=CCCCC(=O)N1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C[C@@H]1C ZINC001123309012 1372421200 /nfs/dbraw/zinc/42/12/00/1372421200.db2.gz JELWIPGCSIKNQM-HOCLYGCPSA-N 1 2 328.460 3.420 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)[C@H]1C ZINC001123560704 1372507239 /nfs/dbraw/zinc/50/72/39/1372507239.db2.gz AQFPQMWFLOJSGP-DLBZAZTESA-N 1 2 342.487 3.185 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)[C@H]1C ZINC001123652792 1372541652 /nfs/dbraw/zinc/54/16/52/1372541652.db2.gz HROFOGVYERMWJI-GOEBONIOSA-N 1 2 342.487 3.348 20 30 EGEDLO C=CCCC(=O)N1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C(C)(C)C1 ZINC001123908737 1372623859 /nfs/dbraw/zinc/62/38/59/1372623859.db2.gz SMMQTGXBRUOHPN-OAHLLOKOSA-N 1 2 328.460 3.278 20 30 EGEDLO Cc1cc(C#N)c(Nc2ccc[nH+]c2N2CCOCC2)cc1Cl ZINC001212366352 1372695680 /nfs/dbraw/zinc/69/56/80/1372695680.db2.gz LWHHFQWWPSYPTQ-UHFFFAOYSA-N 1 2 328.803 3.495 20 30 EGEDLO C#CCCCC(=O)N(CCN(C)c1cc(C)[nH+]c(C2CC2)n1)C(C)C ZINC001125487615 1372794343 /nfs/dbraw/zinc/79/43/43/1372794343.db2.gz BDVFXGZWTNXBAG-UHFFFAOYSA-N 1 2 342.487 3.139 20 30 EGEDLO N#Cc1cnn(-c2ccccn2)c1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213086295 1372837264 /nfs/dbraw/zinc/83/72/64/1372837264.db2.gz MRVDGBIKOQXKHG-UHFFFAOYSA-N 1 2 327.351 3.273 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@H]21 ZINC001188057078 1388230585 /nfs/dbraw/zinc/23/05/85/1388230585.db2.gz LSXFRXRZMKMPAQ-DOOVCASASA-N 1 2 331.287 3.440 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@H]21 ZINC001188057078 1388230588 /nfs/dbraw/zinc/23/05/88/1388230588.db2.gz LSXFRXRZMKMPAQ-DOOVCASASA-N 1 2 331.287 3.440 20 30 EGEDLO C=CCCC(=O)N[C@H](C)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001126599168 1372981228 /nfs/dbraw/zinc/98/12/28/1372981228.db2.gz VENUWJXMAPTVNR-OAHLLOKOSA-N 1 2 330.476 3.089 20 30 EGEDLO Cc1[nH+]c2c(Br)cc(C)cn2c1Nc1ccncc1C#N ZINC001214009753 1372993994 /nfs/dbraw/zinc/99/39/94/1372993994.db2.gz KBZQEHMRESCIGU-UHFFFAOYSA-N 1 2 342.200 3.146 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC1(C2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC001127141572 1373097173 /nfs/dbraw/zinc/09/71/73/1373097173.db2.gz XIHZIPPBAALANB-MRXNPFEDSA-N 1 2 342.487 3.253 20 30 EGEDLO C=CCC1(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3csnn3)C2)CCCCC1 ZINC001216820324 1373348031 /nfs/dbraw/zinc/34/80/31/1373348031.db2.gz QNOMTRHIAPBZHE-GDBMZVCRSA-N 1 2 348.516 3.001 20 30 EGEDLO C=CCC[C@H](C)[N@@H+]1Cc2cnn(C3CCN(C(=O)C4CC4)CC3)c2C1 ZINC001130160868 1373465812 /nfs/dbraw/zinc/46/58/12/1373465812.db2.gz GLNKZOJZWMSVFF-HNNXBMFYSA-N 1 2 342.487 3.127 20 30 EGEDLO C=CCC[C@H](C)[N@H+]1Cc2cnn(C3CCN(C(=O)C4CC4)CC3)c2C1 ZINC001130160868 1373465814 /nfs/dbraw/zinc/46/58/14/1373465814.db2.gz GLNKZOJZWMSVFF-HNNXBMFYSA-N 1 2 342.487 3.127 20 30 EGEDLO C=CCCC(=O)N1CCC(n2ncc3c2C[N@H+](CCC(=C)C)C3)CC1 ZINC001130163124 1373465900 /nfs/dbraw/zinc/46/59/00/1373465900.db2.gz ALYOJLNOIZBGRZ-UHFFFAOYSA-N 1 2 342.487 3.295 20 30 EGEDLO C=CCCC(=O)N1CCC(n2ncc3c2C[N@@H+](CCC(=C)C)C3)CC1 ZINC001130163124 1373465901 /nfs/dbraw/zinc/46/59/01/1373465901.db2.gz ALYOJLNOIZBGRZ-UHFFFAOYSA-N 1 2 342.487 3.295 20 30 EGEDLO C=CCCC[N@@H+]1Cc2cnn(C3CCN(C(=O)[C@@H](F)CC)CC3)c2C1 ZINC001130167206 1373468056 /nfs/dbraw/zinc/46/80/56/1373468056.db2.gz YZXMEILWNRACGF-KRWDZBQOSA-N 1 2 348.466 3.077 20 30 EGEDLO C=CCCC[N@H+]1Cc2cnn(C3CCN(C(=O)[C@@H](F)CC)CC3)c2C1 ZINC001130167206 1373468060 /nfs/dbraw/zinc/46/80/60/1373468060.db2.gz YZXMEILWNRACGF-KRWDZBQOSA-N 1 2 348.466 3.077 20 30 EGEDLO C=C[C@H](C#CC#CC/C=C\CCCCCCC)OC[C@@H]([NH3+])C(=O)OC ZINC001217877675 1373508828 /nfs/dbraw/zinc/50/88/28/1373508828.db2.gz BEPMSPXVNFCEKW-CVLRPEOSSA-N 1 2 345.483 3.372 20 30 EGEDLO C=CCCCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccccc3Cl)C[C@@H]21 ZINC001218566907 1373634003 /nfs/dbraw/zinc/63/40/03/1373634003.db2.gz XOGQKLNSXFIMQS-ZWKOTPCHSA-N 1 2 348.874 3.108 20 30 EGEDLO C=CCCCC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccccc3Cl)C[C@@H]21 ZINC001218566907 1373634006 /nfs/dbraw/zinc/63/40/06/1373634006.db2.gz XOGQKLNSXFIMQS-ZWKOTPCHSA-N 1 2 348.874 3.108 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CC(CC)CC)C[C@@H](C)O2 ZINC001131693108 1373766367 /nfs/dbraw/zinc/76/63/67/1373766367.db2.gz MQWZWNBHUBTPJY-CRAIPNDOSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC(CC)CC)C[C@@H](C)O2 ZINC001131693108 1373766370 /nfs/dbraw/zinc/76/63/70/1373766370.db2.gz MQWZWNBHUBTPJY-CRAIPNDOSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CCC1(C)CC1)C[C@H](C)O2 ZINC001131692509 1373766884 /nfs/dbraw/zinc/76/68/84/1373766884.db2.gz HUYIZMVFHMXNKT-MAUKXSAKSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCC1(C)CC1)C[C@H](C)O2 ZINC001131692509 1373766888 /nfs/dbraw/zinc/76/68/88/1373766888.db2.gz HUYIZMVFHMXNKT-MAUKXSAKSA-N 1 2 340.895 3.011 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001131896944 1375033274 /nfs/dbraw/zinc/03/32/74/1375033274.db2.gz XQIPYPPRDXVFDV-HIFRSBDPSA-N 1 2 336.863 3.481 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC001131896944 1375033279 /nfs/dbraw/zinc/03/32/79/1375033279.db2.gz XQIPYPPRDXVFDV-HIFRSBDPSA-N 1 2 336.863 3.481 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)/C=C\C2CC2)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC001131943108 1375059327 /nfs/dbraw/zinc/05/93/27/1375059327.db2.gz KFOFBHYKLCUEQV-UDACEBRGSA-N 1 2 341.430 3.133 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)/C=C\C2CC2)C[N@H+]1Cc1cc(F)ccc1C#N ZINC001131943108 1375059331 /nfs/dbraw/zinc/05/93/31/1375059331.db2.gz KFOFBHYKLCUEQV-UDACEBRGSA-N 1 2 341.430 3.133 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001131959413 1375071457 /nfs/dbraw/zinc/07/14/57/1375071457.db2.gz FEYMPMUDRWDNJR-XJKSGUPXSA-N 1 2 347.409 3.430 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001131959413 1375071463 /nfs/dbraw/zinc/07/14/63/1375071463.db2.gz FEYMPMUDRWDNJR-XJKSGUPXSA-N 1 2 347.409 3.430 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001131960463 1375072424 /nfs/dbraw/zinc/07/24/24/1375072424.db2.gz MYPMPOHWGFHIET-CJNGLKHVSA-N 1 2 347.409 3.430 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001131960463 1375072427 /nfs/dbraw/zinc/07/24/27/1375072427.db2.gz MYPMPOHWGFHIET-CJNGLKHVSA-N 1 2 347.409 3.430 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001131971002 1375076161 /nfs/dbraw/zinc/07/61/61/1375076161.db2.gz ALQGXONKTPEHOW-DOTOQJQBSA-N 1 2 347.890 3.398 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(Cl)n2)C1 ZINC001131971002 1375076163 /nfs/dbraw/zinc/07/61/63/1375076163.db2.gz ALQGXONKTPEHOW-DOTOQJQBSA-N 1 2 347.890 3.398 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1ccc(Cl)s1 ZINC001132033666 1375108304 /nfs/dbraw/zinc/10/83/04/1375108304.db2.gz JLKDQYCHEKDTRV-GXTWGEPZSA-N 1 2 336.888 3.284 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1ccc(Cl)s1 ZINC001132033666 1375108307 /nfs/dbraw/zinc/10/83/07/1375108307.db2.gz JLKDQYCHEKDTRV-GXTWGEPZSA-N 1 2 336.888 3.284 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1ccccc1C#N ZINC001132033795 1375108375 /nfs/dbraw/zinc/10/83/75/1375108375.db2.gz LGADXDYGRHRTQT-LPHOPBHVSA-N 1 2 337.467 3.077 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1ccccc1C#N ZINC001132033795 1375108378 /nfs/dbraw/zinc/10/83/78/1375108378.db2.gz LGADXDYGRHRTQT-LPHOPBHVSA-N 1 2 337.467 3.077 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCc2ncc(C)o2)CC[C@@H]1C ZINC001132087294 1375139096 /nfs/dbraw/zinc/13/90/96/1375139096.db2.gz NXCPAJBRSGNMLQ-ZFWWWQNUSA-N 1 2 339.867 3.027 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCc2ncc(C)o2)CC[C@@H]1C ZINC001132087294 1375139101 /nfs/dbraw/zinc/13/91/01/1375139101.db2.gz NXCPAJBRSGNMLQ-ZFWWWQNUSA-N 1 2 339.867 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCc2ccc(F)cc2)CC[C@@H]1C ZINC001132158027 1375176112 /nfs/dbraw/zinc/17/61/12/1375176112.db2.gz WJTGLFYEDFKINH-WMLDXEAASA-N 1 2 338.854 3.480 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCc2ccc(F)cc2)CC[C@@H]1C ZINC001132158027 1375176115 /nfs/dbraw/zinc/17/61/15/1375176115.db2.gz WJTGLFYEDFKINH-WMLDXEAASA-N 1 2 338.854 3.480 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCc2cncc(C)c2)CC[C@H]1C ZINC001132170524 1375185602 /nfs/dbraw/zinc/18/56/02/1375185602.db2.gz ZTMVCOCMIBXOTP-NVXWUHKLSA-N 1 2 335.879 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCc2cncc(C)c2)CC[C@H]1C ZINC001132170524 1375185604 /nfs/dbraw/zinc/18/56/04/1375185604.db2.gz ZTMVCOCMIBXOTP-NVXWUHKLSA-N 1 2 335.879 3.044 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)oc2C)C1 ZINC001132221430 1375217972 /nfs/dbraw/zinc/21/79/72/1375217972.db2.gz HTKILGNBLAJDLL-CJNGLKHVSA-N 1 2 333.476 3.363 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2nc(C)oc2C)C1 ZINC001132221430 1375217975 /nfs/dbraw/zinc/21/79/75/1375217975.db2.gz HTKILGNBLAJDLL-CJNGLKHVSA-N 1 2 333.476 3.363 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001132227806 1375222936 /nfs/dbraw/zinc/22/29/36/1375222936.db2.gz ITHUYKXDCWWMQV-MAUKXSAKSA-N 1 2 345.487 3.344 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001132227806 1375222940 /nfs/dbraw/zinc/22/29/40/1375222940.db2.gz ITHUYKXDCWWMQV-MAUKXSAKSA-N 1 2 345.487 3.344 20 30 EGEDLO C=C/C(C)=C/CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=C)Br)C1 ZINC001132228947 1375225827 /nfs/dbraw/zinc/22/58/27/1375225827.db2.gz YLFVWYZZTRRDDB-ACCWSSFSSA-N 1 2 341.293 3.387 20 30 EGEDLO C=C/C(C)=C/CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=C)Br)C1 ZINC001132228947 1375225830 /nfs/dbraw/zinc/22/58/30/1375225830.db2.gz YLFVWYZZTRRDDB-ACCWSSFSSA-N 1 2 341.293 3.387 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3ccn(CC)n3)C2)CC1 ZINC001132279607 1375263555 /nfs/dbraw/zinc/26/35/55/1375263555.db2.gz ZYBYJWXCFZSISV-DLBZAZTESA-N 1 2 344.503 3.119 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3ccn(CC)n3)C2)CC1 ZINC001132279607 1375263559 /nfs/dbraw/zinc/26/35/59/1375263559.db2.gz ZYBYJWXCFZSISV-DLBZAZTESA-N 1 2 344.503 3.119 20 30 EGEDLO C#Cc1ccc(C(=O)Nc2ccc(OC)nc2-n2cc[nH+]c2CC)cc1 ZINC001188722390 1388368172 /nfs/dbraw/zinc/36/81/72/1388368172.db2.gz JENRXPUCVXIDSP-UHFFFAOYSA-N 1 2 346.390 3.072 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(F)cn2)C1 ZINC001132330516 1375310671 /nfs/dbraw/zinc/31/06/71/1375310671.db2.gz IRPNNYVIMNKPDA-RHSMWYFYSA-N 1 2 333.451 3.292 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(F)cn2)C1 ZINC001132330516 1375310678 /nfs/dbraw/zinc/31/06/78/1375310678.db2.gz IRPNNYVIMNKPDA-RHSMWYFYSA-N 1 2 333.451 3.292 20 30 EGEDLO CC(=O)Cc1ccc(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1 ZINC001226846805 1375344677 /nfs/dbraw/zinc/34/46/77/1375344677.db2.gz GULACDAAVYLFOV-NRFANRHFSA-N 1 2 334.419 3.343 20 30 EGEDLO CC(=O)Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cc1 ZINC001226846805 1375344682 /nfs/dbraw/zinc/34/46/82/1375344682.db2.gz GULACDAAVYLFOV-NRFANRHFSA-N 1 2 334.419 3.343 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CN(CC)c2ccccc2)CC[C@@H]1C ZINC001132508319 1375430859 /nfs/dbraw/zinc/43/08/59/1375430859.db2.gz HORQNVGEHZNZHS-DLBZAZTESA-N 1 2 349.906 3.235 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CN(CC)c2ccccc2)CC[C@@H]1C ZINC001132508319 1375430861 /nfs/dbraw/zinc/43/08/61/1375430861.db2.gz HORQNVGEHZNZHS-DLBZAZTESA-N 1 2 349.906 3.235 20 30 EGEDLO C=CC(C)(C)CC(=O)NC1CC[NH+](Cc2ccn(C(C)C)n2)CC1 ZINC001227570893 1375445645 /nfs/dbraw/zinc/44/56/45/1375445645.db2.gz RDISRCWXVNAZHQ-UHFFFAOYSA-N 1 2 332.492 3.147 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC001228747576 1375659960 /nfs/dbraw/zinc/65/99/60/1375659960.db2.gz CRBPXODSJGFHGP-KBPBESRZSA-N 1 2 331.460 3.091 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NC1CC[NH+](Cc2nc3c(o2)CCCC3)CC1 ZINC001228747564 1375660376 /nfs/dbraw/zinc/66/03/76/1375660376.db2.gz CPLAAWPCVREGKF-CABCVRRESA-N 1 2 345.487 3.092 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001188886688 1388401327 /nfs/dbraw/zinc/40/13/27/1388401327.db2.gz XJMHCRIFYQHRDM-BHYGNILZSA-N 1 2 343.471 3.187 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001188886688 1388401331 /nfs/dbraw/zinc/40/13/31/1388401331.db2.gz XJMHCRIFYQHRDM-BHYGNILZSA-N 1 2 343.471 3.187 20 30 EGEDLO N#Cc1ccc(Cl)c(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001229247171 1375794552 /nfs/dbraw/zinc/79/45/52/1375794552.db2.gz AYYNEUXRSMGDGC-QGZVFWFLSA-N 1 2 342.826 3.491 20 30 EGEDLO N#Cc1ccc(Cl)c(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001229247171 1375794559 /nfs/dbraw/zinc/79/45/59/1375794559.db2.gz AYYNEUXRSMGDGC-QGZVFWFLSA-N 1 2 342.826 3.491 20 30 EGEDLO C[N@@H+]1CCO[C@@H](COc2ccccc2C=Nc2ccc(F)cc2)C1 ZINC001229375378 1375822376 /nfs/dbraw/zinc/82/23/76/1375822376.db2.gz BWVNLKICSPDZGV-GOSISDBHSA-N 1 2 328.387 3.286 20 30 EGEDLO C[N@H+]1CCO[C@@H](COc2ccccc2C=Nc2ccc(F)cc2)C1 ZINC001229375378 1375822380 /nfs/dbraw/zinc/82/23/80/1375822380.db2.gz BWVNLKICSPDZGV-GOSISDBHSA-N 1 2 328.387 3.286 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3csc(C)n3)C[C@H]21 ZINC001188896680 1388404138 /nfs/dbraw/zinc/40/41/38/1388404138.db2.gz OEMHEQVCEDXPLP-YQQAZPJKSA-N 1 2 333.501 3.087 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](Cc3csc(C)n3)C[C@H]21 ZINC001188896680 1388404144 /nfs/dbraw/zinc/40/41/44/1388404144.db2.gz OEMHEQVCEDXPLP-YQQAZPJKSA-N 1 2 333.501 3.087 20 30 EGEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccccc3NC(=O)OC(C)(C)C)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229543161 1375853326 /nfs/dbraw/zinc/85/33/26/1375853326.db2.gz SDJHQNQRHLOPNR-BSTOKRDTSA-N 1 2 346.427 3.025 20 30 EGEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccccc3NC(=O)OC(C)(C)C)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229543161 1375853327 /nfs/dbraw/zinc/85/33/27/1375853327.db2.gz SDJHQNQRHLOPNR-BSTOKRDTSA-N 1 2 346.427 3.025 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001188909115 1388407636 /nfs/dbraw/zinc/40/76/36/1388407636.db2.gz NLEXHGAKTRQRKJ-OWZIRERYSA-N 1 2 331.287 3.440 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001188909115 1388407641 /nfs/dbraw/zinc/40/76/41/1388407641.db2.gz NLEXHGAKTRQRKJ-OWZIRERYSA-N 1 2 331.287 3.440 20 30 EGEDLO C/C(=C/C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C1CC1 ZINC001230948694 1376185838 /nfs/dbraw/zinc/18/58/38/1376185838.db2.gz PJGKDSUGPMYJHO-GIIHOQTISA-N 1 2 341.430 3.086 20 30 EGEDLO C/C(=C/C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C1CC1 ZINC001230948694 1376185865 /nfs/dbraw/zinc/18/58/65/1376185865.db2.gz PJGKDSUGPMYJHO-GIIHOQTISA-N 1 2 341.430 3.086 20 30 EGEDLO Cc1c(F)ccc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)c1F ZINC001231480708 1376249789 /nfs/dbraw/zinc/24/97/89/1376249789.db2.gz QOWXIYHYQHQUQS-UHFFFAOYSA-N 1 2 327.378 3.467 20 30 EGEDLO C=CCOCc1ncn2c1C[N@H+](Cc1cccc(Cl)c1O)CCC2 ZINC001231910808 1376346922 /nfs/dbraw/zinc/34/69/22/1376346922.db2.gz XBRDCKQHULQSRI-UHFFFAOYSA-N 1 2 347.846 3.351 20 30 EGEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1cccc(Cl)c1O)CCC2 ZINC001231910808 1376346925 /nfs/dbraw/zinc/34/69/25/1376346925.db2.gz XBRDCKQHULQSRI-UHFFFAOYSA-N 1 2 347.846 3.351 20 30 EGEDLO CC(C)CC(=O)N1CCC[N@H+](Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232115791 1376401865 /nfs/dbraw/zinc/40/18/65/1376401865.db2.gz BJJDCJVTJBHPPU-UHFFFAOYSA-N 1 2 333.863 3.292 20 30 EGEDLO CC(C)CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232115791 1376401870 /nfs/dbraw/zinc/40/18/70/1376401870.db2.gz BJJDCJVTJBHPPU-UHFFFAOYSA-N 1 2 333.863 3.292 20 30 EGEDLO CC(=O)OC[C@@H]1CCC2(C1)CC[NH+](Cc1cc(C#N)ccc1O)CC2 ZINC001232678376 1376500465 /nfs/dbraw/zinc/50/04/65/1376500465.db2.gz XABIAUCBWMTOKS-QGZVFWFLSA-N 1 2 342.439 3.209 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(C#N)s1)CCO2 ZINC001232843536 1376522943 /nfs/dbraw/zinc/52/29/43/1376522943.db2.gz PIBNOHQJNYCXTD-MAUKXSAKSA-N 1 2 332.469 3.193 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccc(C#N)s1)CCO2 ZINC001232843536 1376522946 /nfs/dbraw/zinc/52/29/46/1376522946.db2.gz PIBNOHQJNYCXTD-MAUKXSAKSA-N 1 2 332.469 3.193 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3nccc4ccccc43)CC2)s1 ZINC001232843898 1376523094 /nfs/dbraw/zinc/52/30/94/1376523094.db2.gz HGVRDZDJALYZKR-UHFFFAOYSA-N 1 2 334.448 3.490 20 30 EGEDLO Cc1cccc(OC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)n1 ZINC001232892388 1376535429 /nfs/dbraw/zinc/53/54/29/1376535429.db2.gz IDUUKQAKNMUCPE-UHFFFAOYSA-N 1 2 325.387 3.444 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCN(C(=O)OC(C)(C)C)CC12CC2 ZINC001233080292 1376567307 /nfs/dbraw/zinc/56/73/07/1376567307.db2.gz GNIUURDKQVTRJQ-UHFFFAOYSA-N 1 2 341.455 3.452 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@H+]1CCN(C(=O)OC(C)(C)C)CC12CC2 ZINC001233080292 1376567310 /nfs/dbraw/zinc/56/73/10/1376567310.db2.gz GNIUURDKQVTRJQ-UHFFFAOYSA-N 1 2 341.455 3.452 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H]1CCc2c1cc(F)cc2F ZINC001233965676 1376745593 /nfs/dbraw/zinc/74/55/93/1376745593.db2.gz CXSGHZNXLWVWJL-KXBFYZLASA-N 1 2 346.421 3.288 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H]1CCc2c1cc(F)cc2F ZINC001233965676 1376745598 /nfs/dbraw/zinc/74/55/98/1376745598.db2.gz CXSGHZNXLWVWJL-KXBFYZLASA-N 1 2 346.421 3.288 20 30 EGEDLO CC/C(C)=C\C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001234132745 1376774488 /nfs/dbraw/zinc/77/44/88/1376774488.db2.gz WLWZKVZILGDEOB-DZXKJOIRSA-N 1 2 329.419 3.086 20 30 EGEDLO CC/C(C)=C\C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001234132745 1376774493 /nfs/dbraw/zinc/77/44/93/1376774493.db2.gz WLWZKVZILGDEOB-DZXKJOIRSA-N 1 2 329.419 3.086 20 30 EGEDLO COc1cc(C[N@H+](CCC#N)Cc2ccccc2)c(O)c(OC)c1 ZINC001237671380 1376982344 /nfs/dbraw/zinc/98/23/44/1376982344.db2.gz BHWHZBFLCRLLPA-UHFFFAOYSA-N 1 2 326.396 3.325 20 30 EGEDLO COc1cc(C[N@@H+](CCC#N)Cc2ccccc2)c(O)c(OC)c1 ZINC001237671380 1376982349 /nfs/dbraw/zinc/98/23/49/1376982349.db2.gz BHWHZBFLCRLLPA-UHFFFAOYSA-N 1 2 326.396 3.325 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C#N)cc3Cl)C[C@@H]21 ZINC001238084292 1376994310 /nfs/dbraw/zinc/99/43/10/1376994310.db2.gz GAIBQMIOTQFVDI-HOCLYGCPSA-N 1 2 347.846 3.263 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3Cl)C[C@@H]21 ZINC001238084292 1376994314 /nfs/dbraw/zinc/99/43/14/1376994314.db2.gz GAIBQMIOTQFVDI-HOCLYGCPSA-N 1 2 347.846 3.263 20 30 EGEDLO CCOC(=O)c1c(C)oc(Nc2cc[nH+]cc2C(F)(F)F)c1C#N ZINC001249586096 1377076273 /nfs/dbraw/zinc/07/62/73/1377076273.db2.gz JTWJBLARSRETCQ-UHFFFAOYSA-N 1 2 339.273 3.216 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(F)(F)C(F)F ZINC001135564756 1377147066 /nfs/dbraw/zinc/14/70/66/1377147066.db2.gz JBASPHQVYWIGLS-QWRGUYRKSA-N 1 2 326.378 3.362 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cc1c[nH]c2cc(C)ccc12)C1CC1 ZINC001266614142 1377343891 /nfs/dbraw/zinc/34/38/91/1377343891.db2.gz UHISECFDOFNMIK-UHFFFAOYSA-N 1 2 345.874 3.352 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)Cc1c[nH]c2cc(C)ccc12)C1CC1 ZINC001266614142 1377343892 /nfs/dbraw/zinc/34/38/92/1377343892.db2.gz UHISECFDOFNMIK-UHFFFAOYSA-N 1 2 345.874 3.352 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cc1ccc2c(c1)CCCC2 ZINC001267256407 1377433416 /nfs/dbraw/zinc/43/34/16/1377433416.db2.gz VIGCBEZJZISLSM-UHFFFAOYSA-N 1 2 334.891 3.299 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cc1ccc2c(c1)CCCC2 ZINC001267256407 1377433417 /nfs/dbraw/zinc/43/34/17/1377433417.db2.gz VIGCBEZJZISLSM-UHFFFAOYSA-N 1 2 334.891 3.299 20 30 EGEDLO N#CCOc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC001137114663 1377481223 /nfs/dbraw/zinc/48/12/23/1377481223.db2.gz UPDWRPMKOSDUMJ-UHFFFAOYSA-N 1 2 339.414 3.046 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC001138286063 1377697295 /nfs/dbraw/zinc/69/72/95/1377697295.db2.gz DZZDPBCTHWUCRA-INIZCTEOSA-N 1 2 347.459 3.136 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC001138286063 1377697296 /nfs/dbraw/zinc/69/72/96/1377697296.db2.gz DZZDPBCTHWUCRA-INIZCTEOSA-N 1 2 347.459 3.136 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1cc(C)ccc1OC ZINC001138486351 1377731524 /nfs/dbraw/zinc/73/15/24/1377731524.db2.gz OVLNYBGDNZLFTF-SFHVURJKSA-N 1 2 341.455 3.039 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1cc(C)ccc1OC ZINC001138486351 1377731526 /nfs/dbraw/zinc/73/15/26/1377731526.db2.gz OVLNYBGDNZLFTF-SFHVURJKSA-N 1 2 341.455 3.039 20 30 EGEDLO C=CCOC(=O)N1CC[NH+](Cc2ccccc2N2CCCCC2)CC1 ZINC001138607366 1377751774 /nfs/dbraw/zinc/75/17/74/1377751774.db2.gz IVHJIIZQLSEIML-UHFFFAOYSA-N 1 2 343.471 3.117 20 30 EGEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2c(Cl)[nH]c3ccccc32)CC1 ZINC001138688687 1377767795 /nfs/dbraw/zinc/76/77/95/1377767795.db2.gz IOVQZQCYMVQUGH-UHFFFAOYSA-N 1 2 345.830 3.490 20 30 EGEDLO C=CCOc1ccccc1C[N@@H+]1Cc2c(cnn2C)[C@H](COCC)C1 ZINC001139028905 1377819901 /nfs/dbraw/zinc/81/99/01/1377819901.db2.gz IGEQSEYBXQEULF-KRWDZBQOSA-N 1 2 341.455 3.121 20 30 EGEDLO C=CCOc1ccccc1C[N@H+]1Cc2c(cnn2C)[C@H](COCC)C1 ZINC001139028905 1377819904 /nfs/dbraw/zinc/81/99/04/1377819904.db2.gz IGEQSEYBXQEULF-KRWDZBQOSA-N 1 2 341.455 3.121 20 30 EGEDLO CCCC[N@H+](CCC#N)Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC001139382265 1377876537 /nfs/dbraw/zinc/87/65/37/1377876537.db2.gz ZZABPIQRGLUGPQ-CALCHBBNSA-N 1 2 330.476 3.211 20 30 EGEDLO CCCC[N@@H+](CCC#N)Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC001139382265 1377876541 /nfs/dbraw/zinc/87/65/41/1377876541.db2.gz ZZABPIQRGLUGPQ-CALCHBBNSA-N 1 2 330.476 3.211 20 30 EGEDLO N#Cc1c(Cl)cccc1C[NH+]1CCC(NC(=O)C2CCC2)CC1 ZINC001139690948 1377935087 /nfs/dbraw/zinc/93/50/87/1377935087.db2.gz MLISAHUYMCGLRI-UHFFFAOYSA-N 1 2 331.847 3.092 20 30 EGEDLO CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(C#N)nc1 ZINC001140541711 1378081359 /nfs/dbraw/zinc/08/13/59/1378081359.db2.gz RGRONCQVLWLWFN-KRWDZBQOSA-N 1 2 344.459 3.031 20 30 EGEDLO CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(C#N)nc1 ZINC001140541711 1378081360 /nfs/dbraw/zinc/08/13/60/1378081360.db2.gz RGRONCQVLWLWFN-KRWDZBQOSA-N 1 2 344.459 3.031 20 30 EGEDLO N#Cc1ccc(Cl)c(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)c1 ZINC001140600117 1378094607 /nfs/dbraw/zinc/09/46/07/1378094607.db2.gz CEEGDAFAVPWWOL-TZMCWYRMSA-N 1 2 332.753 3.347 20 30 EGEDLO N#Cc1ccc(Cl)c(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)c1 ZINC001140600117 1378094605 /nfs/dbraw/zinc/09/46/05/1378094605.db2.gz CEEGDAFAVPWWOL-TZMCWYRMSA-N 1 2 332.753 3.347 20 30 EGEDLO N#Cc1ccc(Cl)c(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)c1 ZINC001140601529 1378095765 /nfs/dbraw/zinc/09/57/65/1378095765.db2.gz RWXSKSIWOIBEPA-QGZVFWFLSA-N 1 2 331.847 3.189 20 30 EGEDLO N#Cc1ccc(Cl)c(C[N@H+]2CCCC[C@@H]2C(=O)N2CCCC2)c1 ZINC001140601529 1378095770 /nfs/dbraw/zinc/09/57/70/1378095770.db2.gz RWXSKSIWOIBEPA-QGZVFWFLSA-N 1 2 331.847 3.189 20 30 EGEDLO OC[C@@H]1C[N@H+](Cc2cc(F)c(C(F)(F)F)c(F)c2)CCC1(F)F ZINC001140877738 1378167385 /nfs/dbraw/zinc/16/73/85/1378167385.db2.gz GWCFCRMRMWWPBM-VIFPVBQESA-N 1 2 345.258 3.433 20 30 EGEDLO OC[C@@H]1C[N@@H+](Cc2cc(F)c(C(F)(F)F)c(F)c2)CCC1(F)F ZINC001140877738 1378167387 /nfs/dbraw/zinc/16/73/87/1378167387.db2.gz GWCFCRMRMWWPBM-VIFPVBQESA-N 1 2 345.258 3.433 20 30 EGEDLO N#CC1(c2ccccc2)CC[NH+](Cc2c[nH]nc2C(F)(F)F)CC1 ZINC001141012080 1378208074 /nfs/dbraw/zinc/20/80/74/1378208074.db2.gz SJIVXEPWLQAJIJ-UHFFFAOYSA-N 1 2 334.345 3.486 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cnc(CCCC)[nH]1)C2 ZINC001141069919 1378228576 /nfs/dbraw/zinc/22/85/76/1378228576.db2.gz IPGYDKWEXMPJRH-IEBWSBKVSA-N 1 2 333.476 3.078 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cnc(CCCC)[nH]1)C2 ZINC001141069919 1378228584 /nfs/dbraw/zinc/22/85/84/1378228584.db2.gz IPGYDKWEXMPJRH-IEBWSBKVSA-N 1 2 333.476 3.078 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c[nH]c(CCCC)n1)C2 ZINC001141069919 1378228585 /nfs/dbraw/zinc/22/85/85/1378228585.db2.gz IPGYDKWEXMPJRH-IEBWSBKVSA-N 1 2 333.476 3.078 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c[nH]c(CCCC)n1)C2 ZINC001141069919 1378228590 /nfs/dbraw/zinc/22/85/90/1378228590.db2.gz IPGYDKWEXMPJRH-IEBWSBKVSA-N 1 2 333.476 3.078 20 30 EGEDLO C#CC[NH+]1CCN(Cc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC001141295324 1378292932 /nfs/dbraw/zinc/29/29/32/1378292932.db2.gz BFUPKKJRDRAYIK-UHFFFAOYSA-N 1 2 331.419 3.101 20 30 EGEDLO Cc1cc(C#N)ccc1C[NH+]1CC2(CCN2C(=O)[C@@H]2C=CCC=C2C)C1 ZINC001279697049 1378318332 /nfs/dbraw/zinc/31/83/32/1378318332.db2.gz OKVFNGYLEFQMDN-HXUWFJFHSA-N 1 2 347.462 3.176 20 30 EGEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccc(C)nc3Cl)C2)CC1 ZINC001142122221 1378414152 /nfs/dbraw/zinc/41/41/52/1378414152.db2.gz QDAONALNMJJCQZ-UHFFFAOYSA-N 1 2 349.862 3.264 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C(CC)CC)C[C@@H]1C ZINC001281652493 1378448015 /nfs/dbraw/zinc/44/80/15/1378448015.db2.gz ORJCAJMHROGMGV-GXTWGEPZSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C(CC)CC)C[C@@H]1C ZINC001281652493 1378448018 /nfs/dbraw/zinc/44/80/18/1378448018.db2.gz ORJCAJMHROGMGV-GXTWGEPZSA-N 1 2 331.298 3.300 20 30 EGEDLO CC(=O)N1CCCC[C@@]12CCC[N@H+](Cc1c(F)ccc(C#N)c1F)C2 ZINC001143170043 1378552892 /nfs/dbraw/zinc/55/28/92/1378552892.db2.gz BVCGPDCOSYPXOL-IBGZPJMESA-N 1 2 347.409 3.203 20 30 EGEDLO CC(=O)N1CCCC[C@@]12CCC[N@@H+](Cc1c(F)ccc(C#N)c1F)C2 ZINC001143170043 1378552896 /nfs/dbraw/zinc/55/28/96/1378552896.db2.gz BVCGPDCOSYPXOL-IBGZPJMESA-N 1 2 347.409 3.203 20 30 EGEDLO COc1ccccc1O[C@@H]1CC[N@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143171300 1378553004 /nfs/dbraw/zinc/55/30/04/1378553004.db2.gz WKVSXXPIDCEEGC-CQSZACIVSA-N 1 2 344.361 3.498 20 30 EGEDLO COc1ccccc1O[C@@H]1CC[N@@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143171300 1378553010 /nfs/dbraw/zinc/55/30/10/1378553010.db2.gz WKVSXXPIDCEEGC-CQSZACIVSA-N 1 2 344.361 3.498 20 30 EGEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCCN(c2cccnc2)CC1 ZINC001143732490 1378639416 /nfs/dbraw/zinc/63/94/16/1378639416.db2.gz QBNCHNFYRQWOHZ-UHFFFAOYSA-N 1 2 326.831 3.319 20 30 EGEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCCN(c2cccnc2)CC1 ZINC001143732490 1378639418 /nfs/dbraw/zinc/63/94/18/1378639418.db2.gz QBNCHNFYRQWOHZ-UHFFFAOYSA-N 1 2 326.831 3.319 20 30 EGEDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)/C=C/C(=O)c1ccccc1 ZINC001144709232 1378761664 /nfs/dbraw/zinc/76/16/64/1378761664.db2.gz ZGODJYJDDPNFAU-VAWYXSNFSA-N 1 2 345.402 3.270 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@H+](Cc1csc(CC)n1)C2 ZINC001148126452 1379122048 /nfs/dbraw/zinc/12/20/48/1379122048.db2.gz XTLFABDYQOBPMY-HNNXBMFYSA-N 1 2 347.528 3.342 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](Cc1csc(CC)n1)C2 ZINC001148126452 1379122049 /nfs/dbraw/zinc/12/20/49/1379122049.db2.gz XTLFABDYQOBPMY-HNNXBMFYSA-N 1 2 347.528 3.342 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1csc(CC)n1)C2 ZINC001148131114 1379122476 /nfs/dbraw/zinc/12/24/76/1379122476.db2.gz PTONBIFATCJHES-OAHLLOKOSA-N 1 2 347.528 3.342 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1csc(CC)n1)C2 ZINC001148131114 1379122477 /nfs/dbraw/zinc/12/24/77/1379122477.db2.gz PTONBIFATCJHES-OAHLLOKOSA-N 1 2 347.528 3.342 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C3CC3)o1)C2 ZINC001148146257 1379124591 /nfs/dbraw/zinc/12/45/91/1379124591.db2.gz CBDBJWXCFLHVBH-HNNXBMFYSA-N 1 2 343.471 3.189 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C3CC3)o1)C2 ZINC001148146257 1379124592 /nfs/dbraw/zinc/12/45/92/1379124592.db2.gz CBDBJWXCFLHVBH-HNNXBMFYSA-N 1 2 343.471 3.189 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001150751542 1379606494 /nfs/dbraw/zinc/60/64/94/1379606494.db2.gz GTFYRJFHNCQXCC-OAHLLOKOSA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001150751542 1379606500 /nfs/dbraw/zinc/60/65/00/1379606500.db2.gz GTFYRJFHNCQXCC-OAHLLOKOSA-N 1 2 344.927 3.408 20 30 EGEDLO N#Cc1n[nH]cc1NC(=O)c1cccc2c1C[N@H+](Cc1ccccc1)C2 ZINC001151806701 1379785800 /nfs/dbraw/zinc/78/58/00/1379785800.db2.gz SDRZTIWYKXRHHK-UHFFFAOYSA-N 1 2 343.390 3.049 20 30 EGEDLO N#Cc1n[nH]cc1NC(=O)c1cccc2c1C[N@@H+](Cc1ccccc1)C2 ZINC001151806701 1379785803 /nfs/dbraw/zinc/78/58/03/1379785803.db2.gz SDRZTIWYKXRHHK-UHFFFAOYSA-N 1 2 343.390 3.049 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1cc(C)oc1C ZINC001151847095 1379797249 /nfs/dbraw/zinc/79/72/49/1379797249.db2.gz MSCGZCVZUWBTJI-LLVKDONJSA-N 1 2 343.265 3.245 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1cc(C)oc1C ZINC001151847095 1379797252 /nfs/dbraw/zinc/79/72/52/1379797252.db2.gz MSCGZCVZUWBTJI-LLVKDONJSA-N 1 2 343.265 3.245 20 30 EGEDLO CC[N@H+](Cc1ncc(C(C)(C)C)o1)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153266245 1380046648 /nfs/dbraw/zinc/04/66/48/1380046648.db2.gz MXZXMNXAASPKFL-OAHLLOKOSA-N 1 2 347.503 3.348 20 30 EGEDLO CC[N@@H+](Cc1ncc(C(C)(C)C)o1)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153266245 1380046650 /nfs/dbraw/zinc/04/66/50/1380046650.db2.gz MXZXMNXAASPKFL-OAHLLOKOSA-N 1 2 347.503 3.348 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2ccncc2Cl)CCC1 ZINC001153776083 1380127081 /nfs/dbraw/zinc/12/70/81/1380127081.db2.gz ANEYBFCWJDKGGX-OAHLLOKOSA-N 1 2 347.890 3.255 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2ccncc2Cl)CCC1 ZINC001153776083 1380127083 /nfs/dbraw/zinc/12/70/83/1380127083.db2.gz ANEYBFCWJDKGGX-OAHLLOKOSA-N 1 2 347.890 3.255 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@@]1(C)C=CCC1 ZINC001154683230 1380331330 /nfs/dbraw/zinc/33/13/30/1380331330.db2.gz TYYPNXSRLZBTGD-QRWLVFNGSA-N 1 2 343.446 3.380 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@@]1(C)C=CCC1 ZINC001154683230 1380331331 /nfs/dbraw/zinc/33/13/31/1380331331.db2.gz TYYPNXSRLZBTGD-QRWLVFNGSA-N 1 2 343.446 3.380 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1coc(C2CC2)n1 ZINC001154742920 1380343872 /nfs/dbraw/zinc/34/38/72/1380343872.db2.gz OIOQFGKVPIXYFK-LSDHHAIUSA-N 1 2 333.476 3.481 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1coc(C2CC2)n1 ZINC001154742920 1380343873 /nfs/dbraw/zinc/34/38/73/1380343873.db2.gz OIOQFGKVPIXYFK-LSDHHAIUSA-N 1 2 333.476 3.481 20 30 EGEDLO COc1cccc(OCC2CCN(c3cc(CC#N)cc[nH+]3)CC2)c1 ZINC001154927406 1380377202 /nfs/dbraw/zinc/37/72/02/1380377202.db2.gz NVXLOUWRCPWVHP-UHFFFAOYSA-N 1 2 337.423 3.452 20 30 EGEDLO C=CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccon1)c1ccccc1 ZINC001157041605 1380758429 /nfs/dbraw/zinc/75/84/29/1380758429.db2.gz PWCGEHFDZIYOES-VQIMIIECSA-N 1 2 341.455 3.361 20 30 EGEDLO C=CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccon1)c1ccccc1 ZINC001157041605 1380758434 /nfs/dbraw/zinc/75/84/34/1380758434.db2.gz PWCGEHFDZIYOES-VQIMIIECSA-N 1 2 341.455 3.361 20 30 EGEDLO Cc1nc(NCCSCc2csc(C[NH+](C)C)n2)ccc1C#N ZINC001157337324 1380844604 /nfs/dbraw/zinc/84/46/04/1380844604.db2.gz UKFDGOOFEOSBII-UHFFFAOYSA-N 1 2 347.513 3.125 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2cc(C)on2)CCCC1 ZINC001157364373 1380854626 /nfs/dbraw/zinc/85/46/26/1380854626.db2.gz QDQAUBSOVDOMLH-OAHLLOKOSA-N 1 2 333.476 3.446 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2cc(C)on2)CCCC1 ZINC001157364373 1380854630 /nfs/dbraw/zinc/85/46/30/1380854630.db2.gz QDQAUBSOVDOMLH-OAHLLOKOSA-N 1 2 333.476 3.446 20 30 EGEDLO Cc1nc(C[N@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)(C)C)cs1 ZINC001157920298 1381072334 /nfs/dbraw/zinc/07/23/34/1381072334.db2.gz UZMGKTSYUMESLM-QGZVFWFLSA-N 1 2 347.528 3.314 20 30 EGEDLO Cc1nc(C[N@@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)(C)C)cs1 ZINC001157920298 1381072339 /nfs/dbraw/zinc/07/23/39/1381072339.db2.gz UZMGKTSYUMESLM-QGZVFWFLSA-N 1 2 347.528 3.314 20 30 EGEDLO CCCCCCCC(=O)c1ccc(O)c(C(=O)N2CCC([NH3+])CC2)c1 ZINC001160523166 1382131595 /nfs/dbraw/zinc/13/15/95/1382131595.db2.gz XEIBVCNWVRQZDD-UHFFFAOYSA-N 1 2 346.471 3.499 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@H+]([C@@H](C)c2nc(C)no2)CC1 ZINC001160860703 1382218661 /nfs/dbraw/zinc/21/86/61/1382218661.db2.gz MTSJHQIEMLCBBH-AWEZNQCLSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nc(C)no2)CC1 ZINC001160860703 1382218662 /nfs/dbraw/zinc/21/86/62/1382218662.db2.gz MTSJHQIEMLCBBH-AWEZNQCLSA-N 1 2 346.475 3.180 20 30 EGEDLO CC#CCCCC(=O)NCCC1=CC[N@H+](Cc2csc(C)n2)CC1 ZINC001160953947 1382249681 /nfs/dbraw/zinc/24/96/81/1382249681.db2.gz MIDGEXDVFGJOGZ-UHFFFAOYSA-N 1 2 345.512 3.284 20 30 EGEDLO CC#CCCCC(=O)NCCC1=CC[N@@H+](Cc2csc(C)n2)CC1 ZINC001160953947 1382249684 /nfs/dbraw/zinc/24/96/84/1382249684.db2.gz MIDGEXDVFGJOGZ-UHFFFAOYSA-N 1 2 345.512 3.284 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@@H+]([C@H](C)c2nc(C)no2)CC1 ZINC001160967286 1382253873 /nfs/dbraw/zinc/25/38/73/1382253873.db2.gz DUKDSCXYSJRUHP-ZBFHGGJFSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@H+]([C@H](C)c2nc(C)no2)CC1 ZINC001160967286 1382253879 /nfs/dbraw/zinc/25/38/79/1382253879.db2.gz DUKDSCXYSJRUHP-ZBFHGGJFSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@H+](Cc2ncc(CC)o2)CC1 ZINC001160992450 1382265842 /nfs/dbraw/zinc/26/58/42/1382265842.db2.gz YKTGUYAXICBJFP-INIZCTEOSA-N 1 2 345.487 3.478 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@@H+](Cc2ncc(CC)o2)CC1 ZINC001160992450 1382265847 /nfs/dbraw/zinc/26/58/47/1382265847.db2.gz YKTGUYAXICBJFP-INIZCTEOSA-N 1 2 345.487 3.478 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)C[C@H]2C[C@H]2C)CC1 ZINC001161113685 1382302747 /nfs/dbraw/zinc/30/27/47/1382302747.db2.gz SWUNNCABHALQDY-IUODEOHRSA-N 1 2 341.293 3.080 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)C[C@H]2C[C@H]2C)CC1 ZINC001161113685 1382302752 /nfs/dbraw/zinc/30/27/52/1382302752.db2.gz SWUNNCABHALQDY-IUODEOHRSA-N 1 2 341.293 3.080 20 30 EGEDLO CC(C)C(=O)N1CC[C@H]2CN(c3[nH+]ccc4ccc(C#N)cc43)CC[C@H]21 ZINC001166083962 1383387947 /nfs/dbraw/zinc/38/79/47/1383387947.db2.gz ZJDJUXDLAKXKDO-PKOBYXMFSA-N 1 2 348.450 3.190 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1(C[NH2+]Cc2noc(CCC)n2)CC1 ZINC001167339602 1383602644 /nfs/dbraw/zinc/60/26/44/1383602644.db2.gz ICNZLHJHBARBSG-UHFFFAOYSA-N 1 2 348.491 3.001 20 30 EGEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC001168475763 1383917289 /nfs/dbraw/zinc/91/72/89/1383917289.db2.gz PEPLVYLDBYVUCO-LIRRHRJNSA-N 1 2 340.398 3.002 20 30 EGEDLO N#Cc1cc(Br)cc(NCCc2cn3ccccc3[nH+]2)n1 ZINC001169008420 1384087404 /nfs/dbraw/zinc/08/74/04/1384087404.db2.gz DGBBGVUCTJPTBX-UHFFFAOYSA-N 1 2 342.200 3.018 20 30 EGEDLO C=C[C@H]1C[C@@]1([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(=O)OCC ZINC001170364635 1384301596 /nfs/dbraw/zinc/30/15/96/1384301596.db2.gz BMVOBYQAUOLUDE-KSCTXSPISA-N 1 2 338.451 3.488 20 30 EGEDLO C[C@H](CCCC#N)[N@@H+]1CCn2c(COc3cccnc3)cnc2[C@H]1C ZINC001172499472 1384805943 /nfs/dbraw/zinc/80/59/43/1384805943.db2.gz SCRSJKYYTWSHBR-HZPDHXFCSA-N 1 2 339.443 3.316 20 30 EGEDLO C[C@H](CCCC#N)[N@H+]1CCn2c(COc3cccnc3)cnc2[C@H]1C ZINC001172499472 1384805946 /nfs/dbraw/zinc/80/59/46/1384805946.db2.gz SCRSJKYYTWSHBR-HZPDHXFCSA-N 1 2 339.443 3.316 20 30 EGEDLO C=CCOC(=O)N1CC[NH+]([C@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC001172870723 1384869195 /nfs/dbraw/zinc/86/91/95/1384869195.db2.gz CAKFGLAZZQZTAY-CYBMUJFWSA-N 1 2 340.826 3.350 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCC2(F)F)C[C@H]1C#N ZINC001172982576 1384895484 /nfs/dbraw/zinc/89/54/84/1384895484.db2.gz DPXPMPDYJJXFDH-FRRDWIJNSA-N 1 2 329.391 3.055 20 30 EGEDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001173239007 1384942627 /nfs/dbraw/zinc/94/26/27/1384942627.db2.gz ZZWPAAJGVFUMFR-AWEZNQCLSA-N 1 2 337.379 3.161 20 30 EGEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)Cc1ccc(C(=O)OC)cc1 ZINC001173715805 1385007518 /nfs/dbraw/zinc/00/75/18/1385007518.db2.gz PWTHFEWYKJQZIH-YJBOKZPZSA-N 1 2 347.455 3.138 20 30 EGEDLO CN(C)c1ccc(C=[NH+]Nc2cncc(Br)c2)s1 ZINC001335898086 1388963241 /nfs/dbraw/zinc/96/32/41/1388963241.db2.gz SCCVODJAANLXDE-UHFFFAOYSA-N 1 2 325.235 3.418 20 30 EGEDLO C[N@H+](CCNC(=O)C1CCC(C)(C)CC1)Cc1ccccc1C#N ZINC001317472207 1385167182 /nfs/dbraw/zinc/16/71/82/1385167182.db2.gz XOWRWRLXNYKHNM-UHFFFAOYSA-N 1 2 327.472 3.323 20 30 EGEDLO C[N@@H+](CCNC(=O)C1CCC(C)(C)CC1)Cc1ccccc1C#N ZINC001317472207 1385167189 /nfs/dbraw/zinc/16/71/89/1385167189.db2.gz XOWRWRLXNYKHNM-UHFFFAOYSA-N 1 2 327.472 3.323 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C(C)(C)c1cccc(F)c1 ZINC001317487861 1385186692 /nfs/dbraw/zinc/18/66/92/1385186692.db2.gz RIQKKJNMXZDPMG-UHFFFAOYSA-N 1 2 326.843 3.294 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C(C)(C)c1cccc(F)c1 ZINC001317487861 1385186694 /nfs/dbraw/zinc/18/66/94/1385186694.db2.gz RIQKKJNMXZDPMG-UHFFFAOYSA-N 1 2 326.843 3.294 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC2(C)C)C1 ZINC001317753901 1385442231 /nfs/dbraw/zinc/44/22/31/1385442231.db2.gz JZOUKSMHHXHIRD-UONOGXRCSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC2(C)C)C1 ZINC001317753901 1385442235 /nfs/dbraw/zinc/44/22/35/1385442235.db2.gz JZOUKSMHHXHIRD-UONOGXRCSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2ncc3ccccn32)C1 ZINC001317760987 1385450018 /nfs/dbraw/zinc/45/00/18/1385450018.db2.gz BRJKEMXCDWUOKL-MRXNPFEDSA-N 1 2 346.862 3.013 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ncc3ccccn32)C1 ZINC001317760987 1385450022 /nfs/dbraw/zinc/45/00/22/1385450022.db2.gz BRJKEMXCDWUOKL-MRXNPFEDSA-N 1 2 346.862 3.013 20 30 EGEDLO C=CCC1(C(=O)NCCC[NH2+][C@H](C)c2noc(C)n2)CCCCC1 ZINC001176791007 1385700649 /nfs/dbraw/zinc/70/06/49/1385700649.db2.gz WAXRAYOWFYCRPW-CQSZACIVSA-N 1 2 334.464 3.062 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([NH2+]Cc2nc(C(C)(C)C)no2)[C@@H]1C ZINC001178795430 1386307098 /nfs/dbraw/zinc/30/70/98/1386307098.db2.gz RBSCPCGFBCFVSP-KBPBESRZSA-N 1 2 348.491 3.048 20 30 EGEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC001319882368 1386359405 /nfs/dbraw/zinc/35/94/05/1386359405.db2.gz WOZUVQMICKZSGS-CYBMUJFWSA-N 1 2 342.830 3.040 20 30 EGEDLO Cc1ccc(C)c(C(=O)N(C)CC[N@H+](C)Cc2ccccc2C#N)c1 ZINC001320078704 1386495391 /nfs/dbraw/zinc/49/53/91/1386495391.db2.gz JDSFMMVAETZRAI-UHFFFAOYSA-N 1 2 335.451 3.379 20 30 EGEDLO Cc1ccc(C)c(C(=O)N(C)CC[N@@H+](C)Cc2ccccc2C#N)c1 ZINC001320078704 1386495407 /nfs/dbraw/zinc/49/54/07/1386495407.db2.gz JDSFMMVAETZRAI-UHFFFAOYSA-N 1 2 335.451 3.379 20 30 EGEDLO Cc1c[nH+]c2n1CCC21CCN(C(=O)CC2(C#N)CCCCC2)CC1 ZINC001181346067 1386979859 /nfs/dbraw/zinc/97/98/59/1386979859.db2.gz MWAURAWFHPTWDV-UHFFFAOYSA-N 1 2 340.471 3.320 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)Cc2cccc(C(F)(F)F)c2Cl)CC1 ZINC001181710512 1387042856 /nfs/dbraw/zinc/04/28/56/1387042856.db2.gz BNYIZCXTHAXXEX-UHFFFAOYSA-N 1 2 346.780 3.232 20 30 EGEDLO CC(C)[N@@H+]1CC[C@H]1C(=O)NC1=C(c2ccccc2)C(=O)c2ccccc21 ZINC001182869332 1387236795 /nfs/dbraw/zinc/23/67/95/1387236795.db2.gz MHCVZIVTRGUYRQ-SFHVURJKSA-N 1 2 346.430 3.350 20 30 EGEDLO CC(C)[N@H+]1CC[C@H]1C(=O)NC1=C(c2ccccc2)C(=O)c2ccccc21 ZINC001182869332 1387236797 /nfs/dbraw/zinc/23/67/97/1387236797.db2.gz MHCVZIVTRGUYRQ-SFHVURJKSA-N 1 2 346.430 3.350 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nc(CCCC)no2)C1 ZINC001182918377 1387246569 /nfs/dbraw/zinc/24/65/69/1387246569.db2.gz GTOLHASZYXMGNV-HUUCEWRRSA-N 1 2 334.464 3.020 20 30 EGEDLO C=C(Br)C[N@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)C ZINC001329935685 1389263959 /nfs/dbraw/zinc/26/39/59/1389263959.db2.gz GEQMMKWJUOASSU-CYBMUJFWSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)C ZINC001329935685 1389263963 /nfs/dbraw/zinc/26/39/63/1389263963.db2.gz GEQMMKWJUOASSU-CYBMUJFWSA-N 1 2 331.298 3.302 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC2(CCCC2)C1 ZINC001338895946 1389809520 /nfs/dbraw/zinc/80/95/20/1389809520.db2.gz MVYLSIDNDBJFHR-INIZCTEOSA-N 1 2 329.492 3.391 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC2(CCCC2)C1 ZINC001338895946 1389809522 /nfs/dbraw/zinc/80/95/22/1389809522.db2.gz MVYLSIDNDBJFHR-INIZCTEOSA-N 1 2 329.492 3.391 20 30 EGEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N(C)[C@H](C)CCSC ZINC001338927531 1389825655 /nfs/dbraw/zinc/82/56/55/1389825655.db2.gz TWWNCWRIJBNTSW-OAHLLOKOSA-N 1 2 337.537 3.028 20 30 EGEDLO O=c1[nH]c(N[NH+]=Cc2ccccc2N2CCCC2)nc2ccccc21 ZINC001340252690 1390258766 /nfs/dbraw/zinc/25/87/66/1390258766.db2.gz XXSKLFDYFZFJHA-UHFFFAOYSA-N 1 2 333.395 3.382 20 30 EGEDLO C=C(C)CN(CC)c1nnc([C@H]2CCC[N@@H+]2C)n1Cc1ccccc1 ZINC001340656457 1390338042 /nfs/dbraw/zinc/33/80/42/1390338042.db2.gz FHAVFKOTKNGTQN-GOSISDBHSA-N 1 2 339.487 3.496 20 30 EGEDLO C=C(C)CN(CC)c1nnc([C@H]2CCC[N@H+]2C)n1Cc1ccccc1 ZINC001340656457 1390338046 /nfs/dbraw/zinc/33/80/46/1390338046.db2.gz FHAVFKOTKNGTQN-GOSISDBHSA-N 1 2 339.487 3.496 20 30 EGEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1c(Cl)nc2sccn21 ZINC001342255141 1390591623 /nfs/dbraw/zinc/59/16/23/1390591623.db2.gz OFGIWRCINYPTII-AATRIKPKSA-N 1 2 332.816 3.406 20 30 EGEDLO C=CCn1c(C(CC)CC)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001342383897 1390607291 /nfs/dbraw/zinc/60/72/91/1390607291.db2.gz BPZQPKBYVOTBJB-UHFFFAOYSA-N 1 2 340.475 3.089 20 30 EGEDLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc21 ZINC001342716710 1390644999 /nfs/dbraw/zinc/64/49/99/1390644999.db2.gz JOMRUONIKCNUNP-IEBWSBKVSA-N 1 2 349.434 3.360 20 30 EGEDLO CC(C)[N@H+]1CCC[C@@H]1C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc21 ZINC001342716710 1390645001 /nfs/dbraw/zinc/64/50/01/1390645001.db2.gz JOMRUONIKCNUNP-IEBWSBKVSA-N 1 2 349.434 3.360 20 30 EGEDLO C=CCC[C@H]1CCCN1c1nnc(Cc2[nH+]ccn2C)n1CC(C)C ZINC001343041809 1390687045 /nfs/dbraw/zinc/68/70/45/1390687045.db2.gz IICZZQDPMIIMNB-INIZCTEOSA-N 1 2 342.491 3.193 20 30 EGEDLO Cc1ccc(C#N)cc1C(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC001345538759 1390864647 /nfs/dbraw/zinc/86/46/47/1390864647.db2.gz DSBGXINSEKYBNO-UHFFFAOYSA-N 1 2 335.407 3.335 20 30 EGEDLO Cc1c[nH+]cc(C)c1NC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC001349793150 1391367684 /nfs/dbraw/zinc/36/76/84/1391367684.db2.gz XBOGDJSVHSQWOX-UHFFFAOYSA-N 1 2 340.452 3.043 20 30 EGEDLO CCC(C)(C)C(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001481182816 1393143866 /nfs/dbraw/zinc/14/38/66/1393143866.db2.gz HKCARFLKPLHREG-UHFFFAOYSA-N 1 2 331.435 3.214 20 30 EGEDLO CCC(C)(C)C(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001481182816 1393143867 /nfs/dbraw/zinc/14/38/67/1393143867.db2.gz HKCARFLKPLHREG-UHFFFAOYSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)Cc1c(F)cccc1F ZINC001491224464 1394481110 /nfs/dbraw/zinc/48/11/10/1394481110.db2.gz IPSAFCKYHDCKMI-ZDUSSCGKSA-N 1 2 342.817 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)Cc1c(F)cccc1F ZINC001491224464 1394481113 /nfs/dbraw/zinc/48/11/13/1394481113.db2.gz IPSAFCKYHDCKMI-ZDUSSCGKSA-N 1 2 342.817 3.231 20 30 EGEDLO C[C@H](C#N)C(=O)NCC[N@H+](Cc1cccc(Cl)c1Cl)C1CC1 ZINC001714662396 1419448042 /nfs/dbraw/zinc/44/80/42/1419448042.db2.gz YPOCUZSYVKNZPW-LLVKDONJSA-N 1 2 340.254 3.234 20 30 EGEDLO C[C@H](C#N)C(=O)NCC[N@@H+](Cc1cccc(Cl)c1Cl)C1CC1 ZINC001714662396 1419448044 /nfs/dbraw/zinc/44/80/44/1419448044.db2.gz YPOCUZSYVKNZPW-LLVKDONJSA-N 1 2 340.254 3.234 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cccc(-c2cnco2)c1 ZINC001485369390 1395846857 /nfs/dbraw/zinc/84/68/57/1395846857.db2.gz VZNVPCZGVNQEPC-ZDUSSCGKSA-N 1 2 333.819 3.144 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cccc(-c2cnco2)c1 ZINC001485369390 1395846861 /nfs/dbraw/zinc/84/68/61/1395846861.db2.gz VZNVPCZGVNQEPC-ZDUSSCGKSA-N 1 2 333.819 3.144 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1ccccc1OC(C)C ZINC001498407741 1396987644 /nfs/dbraw/zinc/98/76/44/1396987644.db2.gz DGITVOJMPUNVCL-OAHLLOKOSA-N 1 2 338.879 3.205 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1ccccc1OC(C)C ZINC001498407741 1396987647 /nfs/dbraw/zinc/98/76/47/1396987647.db2.gz DGITVOJMPUNVCL-OAHLLOKOSA-N 1 2 338.879 3.205 20 30 EGEDLO C[C@@H](C(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1)C(C)(C)C ZINC001691215648 1405156234 /nfs/dbraw/zinc/15/62/34/1405156234.db2.gz XVZLZPGYNXJMEK-HNNXBMFYSA-N 1 2 327.472 3.321 20 30 EGEDLO C[C@@H](C(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1)C(C)(C)C ZINC001691215648 1405156237 /nfs/dbraw/zinc/15/62/37/1405156237.db2.gz XVZLZPGYNXJMEK-HNNXBMFYSA-N 1 2 327.472 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccc(C(F)(F)F)cn1)C1CC1 ZINC001691219824 1405160006 /nfs/dbraw/zinc/16/00/06/1405160006.db2.gz UJVHNTXNALHEHB-UHFFFAOYSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccc(C(F)(F)F)cn1)C1CC1 ZINC001691219824 1405160009 /nfs/dbraw/zinc/16/00/09/1405160009.db2.gz UJVHNTXNALHEHB-UHFFFAOYSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)CCc2ccncc2)C1 ZINC001691856105 1405572445 /nfs/dbraw/zinc/57/24/45/1405572445.db2.gz FBUDVCJTVOTISR-QGZVFWFLSA-N 1 2 335.879 3.080 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)CCc2ccncc2)C1 ZINC001691856105 1405572446 /nfs/dbraw/zinc/57/24/46/1405572446.db2.gz FBUDVCJTVOTISR-QGZVFWFLSA-N 1 2 335.879 3.080 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1(c2ccccc2)CC1 ZINC001713259286 1417865710 /nfs/dbraw/zinc/86/57/10/1417865710.db2.gz PFQTXWWZYSDQMT-QGZVFWFLSA-N 1 2 332.875 3.441 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)C1(c2ccccc2)CC1 ZINC001713259286 1417865714 /nfs/dbraw/zinc/86/57/14/1417865714.db2.gz PFQTXWWZYSDQMT-QGZVFWFLSA-N 1 2 332.875 3.441 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)CC1(C)CC1 ZINC001714108881 1418909369 /nfs/dbraw/zinc/90/93/69/1418909369.db2.gz CLEYFKSDDSVTMG-CYBMUJFWSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC1(C)CC1 ZINC001714108881 1418909372 /nfs/dbraw/zinc/90/93/72/1418909372.db2.gz CLEYFKSDDSVTMG-CYBMUJFWSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCCc1ccc(Cl)cc1 ZINC001714554409 1419281905 /nfs/dbraw/zinc/28/19/05/1419281905.db2.gz DWLIMFZOFWYRKX-UHFFFAOYSA-N 1 2 329.271 3.463 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCCc1ccc(Cl)cc1 ZINC001714554409 1419281908 /nfs/dbraw/zinc/28/19/08/1419281908.db2.gz DWLIMFZOFWYRKX-UHFFFAOYSA-N 1 2 329.271 3.463 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CCn1ccc2ccccc21 ZINC001714599959 1419355239 /nfs/dbraw/zinc/35/52/39/1419355239.db2.gz PFFWMKXCNCSCLO-UHFFFAOYSA-N 1 2 333.863 3.222 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CCn1ccc2ccccc21 ZINC001714599959 1419355244 /nfs/dbraw/zinc/35/52/44/1419355244.db2.gz PFFWMKXCNCSCLO-UHFFFAOYSA-N 1 2 333.863 3.222 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)CCc2cncc(C)c2)C1 ZINC001714854123 1419566855 /nfs/dbraw/zinc/56/68/55/1419566855.db2.gz CEPRBWKYJHVMJO-GOSISDBHSA-N 1 2 349.906 3.388 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)CCc2cncc(C)c2)C1 ZINC001714854123 1419566858 /nfs/dbraw/zinc/56/68/58/1419566858.db2.gz CEPRBWKYJHVMJO-GOSISDBHSA-N 1 2 349.906 3.388 20 30 EGEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)CC2CCCCC2)C1 ZINC001714957449 1419698613 /nfs/dbraw/zinc/69/86/13/1419698613.db2.gz VIDMTUKYYJQDFQ-UHFFFAOYSA-N 1 2 325.456 3.077 20 30 EGEDLO Cc1coc(C)c1C(=O)N(C)CC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001715516517 1420202314 /nfs/dbraw/zinc/20/23/14/1420202314.db2.gz QITKTFFWGMDSMV-UHFFFAOYSA-N 1 2 343.402 3.111 20 30 EGEDLO Cc1coc(C)c1C(=O)N(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001715516517 1420202316 /nfs/dbraw/zinc/20/23/16/1420202316.db2.gz QITKTFFWGMDSMV-UHFFFAOYSA-N 1 2 343.402 3.111 20 30 EGEDLO CC[C@@H](C)CCC(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001715532412 1420224070 /nfs/dbraw/zinc/22/40/70/1420224070.db2.gz CRTSLDRGTJFMLT-OAHLLOKOSA-N 1 2 333.451 3.414 20 30 EGEDLO CC[C@@H](C)CCC(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001715532412 1420224072 /nfs/dbraw/zinc/22/40/72/1420224072.db2.gz CRTSLDRGTJFMLT-OAHLLOKOSA-N 1 2 333.451 3.414 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cccc(-c2cnco2)c1 ZINC001715533844 1420226033 /nfs/dbraw/zinc/22/60/33/1420226033.db2.gz ISZCYJSNIZNEPK-UHFFFAOYSA-N 1 2 333.819 3.098 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cccc(-c2cnco2)c1 ZINC001715533844 1420226035 /nfs/dbraw/zinc/22/60/35/1420226035.db2.gz ISZCYJSNIZNEPK-UHFFFAOYSA-N 1 2 333.819 3.098 20 30 EGEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@@H]1CCCC1(C)C ZINC001715918790 1420397285 /nfs/dbraw/zinc/39/72/85/1420397285.db2.gz LAYCSXXWIMLBQD-KRWDZBQOSA-N 1 2 345.462 3.414 20 30 EGEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@@H]1CCCC1(C)C ZINC001715918790 1420397288 /nfs/dbraw/zinc/39/72/88/1420397288.db2.gz LAYCSXXWIMLBQD-KRWDZBQOSA-N 1 2 345.462 3.414 20 30 EGEDLO C[C@@H](NC(=O)C(C)(C)C1CC1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001725257030 1425881592 /nfs/dbraw/zinc/88/15/92/1425881592.db2.gz HECNSCQBUXFHHW-CYBMUJFWSA-N 1 2 343.446 3.070 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@H]2C[N@H+](Cc3nnc(C)s3)CC[C@@H]21 ZINC001752707776 1440203007 /nfs/dbraw/zinc/20/30/07/1440203007.db2.gz PMUBHFQMQQBEHX-HOTGVXAUSA-N 1 2 348.516 3.016 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@H]2C[N@@H+](Cc3nnc(C)s3)CC[C@@H]21 ZINC001752707776 1440203008 /nfs/dbraw/zinc/20/30/08/1440203008.db2.gz PMUBHFQMQQBEHX-HOTGVXAUSA-N 1 2 348.516 3.016 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(C3CC3)no2)C1 ZINC001752784725 1440210767 /nfs/dbraw/zinc/21/07/67/1440210767.db2.gz IHUSSPXKDYEMFF-KBPBESRZSA-N 1 2 346.475 3.048 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)c2nc(C3CC3)no2)C1 ZINC001752784725 1440210768 /nfs/dbraw/zinc/21/07/68/1440210768.db2.gz IHUSSPXKDYEMFF-KBPBESRZSA-N 1 2 346.475 3.048 20 30 EGEDLO C[N@H+](CCNC(=O)[C@@H]1CCCC1(C)C)Cc1ccc(C#N)cc1F ZINC001753060020 1440282975 /nfs/dbraw/zinc/28/29/75/1440282975.db2.gz DCYZDUIIRDNMPY-INIZCTEOSA-N 1 2 331.435 3.072 20 30 EGEDLO C[N@@H+](CCNC(=O)[C@@H]1CCCC1(C)C)Cc1ccc(C#N)cc1F ZINC001753060020 1440282976 /nfs/dbraw/zinc/28/29/76/1440282976.db2.gz DCYZDUIIRDNMPY-INIZCTEOSA-N 1 2 331.435 3.072 20 30 EGEDLO C#CCCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1F ZINC001753105954 1440306399 /nfs/dbraw/zinc/30/63/99/1440306399.db2.gz SQYZDMGWUPJKSN-INIZCTEOSA-N 1 2 336.838 3.363 20 30 EGEDLO C#CCCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1F ZINC001753105954 1440306400 /nfs/dbraw/zinc/30/64/00/1440306400.db2.gz SQYZDMGWUPJKSN-INIZCTEOSA-N 1 2 336.838 3.363 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H](C)OC1CCCCCC1)C1CC1 ZINC001753158627 1440332478 /nfs/dbraw/zinc/33/24/78/1440332478.db2.gz ANGFZWIQTZBXBS-HNNXBMFYSA-N 1 2 342.911 3.447 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H](C)OC1CCCCCC1)C1CC1 ZINC001753158627 1440332479 /nfs/dbraw/zinc/33/24/79/1440332479.db2.gz ANGFZWIQTZBXBS-HNNXBMFYSA-N 1 2 342.911 3.447 20 30 EGEDLO C=CCCCCC[NH+]1CC(NC(=O)c2sc(C3CC3)nc2C)C1 ZINC001753377719 1440387315 /nfs/dbraw/zinc/38/73/15/1440387315.db2.gz JTNLPKWFUCIFDZ-UHFFFAOYSA-N 1 2 333.501 3.489 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC1C[NH+](CCCOc2ccc(C)c(C)c2)C1 ZINC001753386928 1440388520 /nfs/dbraw/zinc/38/85/20/1440388520.db2.gz MRDZNZILLPFCPD-OAQYLSRUSA-N 1 2 344.499 3.475 20 30 EGEDLO C[C@@H]1CCCC[C@@H]1CC(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001753415682 1440394192 /nfs/dbraw/zinc/39/41/92/1440394192.db2.gz JUUAUMNUBAZMBX-SJLPKXTDSA-N 1 2 339.483 3.323 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(Cl)cc1 ZINC001753418973 1440395034 /nfs/dbraw/zinc/39/50/34/1440395034.db2.gz WUSVHATVQKIXMO-JLSDUUJJSA-N 1 2 348.874 3.106 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(Cl)cc1 ZINC001753418973 1440395035 /nfs/dbraw/zinc/39/50/35/1440395035.db2.gz WUSVHATVQKIXMO-JLSDUUJJSA-N 1 2 348.874 3.106 20 30 EGEDLO C=CCCC(=O)N(C)[C@@H]1CC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC001753433956 1440399098 /nfs/dbraw/zinc/39/90/98/1440399098.db2.gz QAZDBBLXHLXIJQ-GOSISDBHSA-N 1 2 339.439 3.341 20 30 EGEDLO C=CCCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC001753433956 1440399099 /nfs/dbraw/zinc/39/90/99/1440399099.db2.gz QAZDBBLXHLXIJQ-GOSISDBHSA-N 1 2 339.439 3.341 20 30 EGEDLO CCN(C(=O)[C@@H](C)C#N)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC001753453521 1440407222 /nfs/dbraw/zinc/40/72/22/1440407222.db2.gz RYUIDNLYJAXVJG-WFASDCNBSA-N 1 2 337.826 3.062 20 30 EGEDLO CCN(C(=O)[C@@H](C)C#N)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC001753453521 1440407223 /nfs/dbraw/zinc/40/72/23/1440407223.db2.gz RYUIDNLYJAXVJG-WFASDCNBSA-N 1 2 337.826 3.062 20 30 EGEDLO C=CCC(CC=C)C(=O)N(CC)[C@H]1CC[N@@H+]([C@H](C)c2nnc(C)o2)C1 ZINC001753456690 1440408537 /nfs/dbraw/zinc/40/85/37/1440408537.db2.gz AYCHEFBYWLTUOC-PBHICJAKSA-N 1 2 346.475 3.130 20 30 EGEDLO C=CCC(CC=C)C(=O)N(CC)[C@H]1CC[N@H+]([C@H](C)c2nnc(C)o2)C1 ZINC001753456690 1440408538 /nfs/dbraw/zinc/40/85/38/1440408538.db2.gz AYCHEFBYWLTUOC-PBHICJAKSA-N 1 2 346.475 3.130 20 30 EGEDLO CCN(C(=O)[C@H](C)C(C)C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001753458589 1440409410 /nfs/dbraw/zinc/40/94/10/1440409410.db2.gz JAPTZXWOQRJTJN-DNVCBOLYSA-N 1 2 345.462 3.412 20 30 EGEDLO CCN(C(=O)[C@H](C)C(C)C)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001753458589 1440409411 /nfs/dbraw/zinc/40/94/11/1440409411.db2.gz JAPTZXWOQRJTJN-DNVCBOLYSA-N 1 2 345.462 3.412 20 30 EGEDLO CCC[C@H](C)CC(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001753848385 1440505641 /nfs/dbraw/zinc/50/56/41/1440505641.db2.gz CKGWDVUPLXRIOC-HNNXBMFYSA-N 1 2 333.451 3.414 20 30 EGEDLO CCC[C@H](C)CC(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001753848385 1440505642 /nfs/dbraw/zinc/50/56/42/1440505642.db2.gz CKGWDVUPLXRIOC-HNNXBMFYSA-N 1 2 333.451 3.414 20 30 EGEDLO C[C@@H](C(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N)c1ccccc1 ZINC001753867103 1440515078 /nfs/dbraw/zinc/51/50/78/1440515078.db2.gz DOUVXZRHXOFJHG-QGZVFWFLSA-N 1 2 335.451 3.252 20 30 EGEDLO C[C@@H](C(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N)c1ccccc1 ZINC001753867103 1440515079 /nfs/dbraw/zinc/51/50/79/1440515079.db2.gz DOUVXZRHXOFJHG-QGZVFWFLSA-N 1 2 335.451 3.252 20 30 EGEDLO CN(CC[N@H+](C)Cc1cc(F)ccc1C#N)C(=O)[C@H]1CC12CCCC2 ZINC001753876414 1440519592 /nfs/dbraw/zinc/51/95/92/1440519592.db2.gz RUANJFFGBAOUMD-GOSISDBHSA-N 1 2 343.446 3.168 20 30 EGEDLO CN(CC[N@@H+](C)Cc1cc(F)ccc1C#N)C(=O)[C@H]1CC12CCCC2 ZINC001753876414 1440519593 /nfs/dbraw/zinc/51/95/93/1440519593.db2.gz RUANJFFGBAOUMD-GOSISDBHSA-N 1 2 343.446 3.168 20 30 EGEDLO N#CC[N@H+](CC1CC1)C1CCN(C(=O)c2cc3occc3s2)CC1 ZINC001754549148 1440629261 /nfs/dbraw/zinc/62/92/61/1440629261.db2.gz TYTGZENWDWBCON-UHFFFAOYSA-N 1 2 343.452 3.334 20 30 EGEDLO N#CC[N@@H+](CC1CC1)C1CCN(C(=O)c2cc3occc3s2)CC1 ZINC001754549148 1440629262 /nfs/dbraw/zinc/62/92/62/1440629262.db2.gz TYTGZENWDWBCON-UHFFFAOYSA-N 1 2 343.452 3.334 20 30 EGEDLO C=CCC(C)(C)C(=O)N(C)C1C[NH+](Cc2ccc3ncccc3c2)C1 ZINC001754583077 1440639141 /nfs/dbraw/zinc/63/91/41/1440639141.db2.gz MIWMJWSIHNRECG-UHFFFAOYSA-N 1 2 337.467 3.480 20 30 EGEDLO C=CCCC(=O)NC1(C)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001754623356 1440645604 /nfs/dbraw/zinc/64/56/04/1440645604.db2.gz BJMRVQDXKBRLGK-UHFFFAOYSA-N 1 2 337.445 3.093 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)C[C@H](C)CC)CC1 ZINC001754625806 1440646318 /nfs/dbraw/zinc/64/63/18/1440646318.db2.gz HYFVSZHDIGVMFI-GFCCVEGCSA-N 1 2 331.298 3.302 20 30 EGEDLO C#CCCCC(=O)NC1(C)CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC001754626365 1440646405 /nfs/dbraw/zinc/64/64/05/1440646405.db2.gz ZQLBMLVZCTYFBX-UHFFFAOYSA-N 1 2 345.512 3.295 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@]1(C)CC[N@H+](Cc2noc3c2CCCC3)C1 ZINC001754678989 1440661434 /nfs/dbraw/zinc/66/14/34/1440661434.db2.gz XPPNGRRRPGIFAE-QRWLVFNGSA-N 1 2 345.487 3.236 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@]1(C)CC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001754678989 1440661435 /nfs/dbraw/zinc/66/14/35/1440661435.db2.gz XPPNGRRRPGIFAE-QRWLVFNGSA-N 1 2 345.487 3.236 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H](C)c2cccc(OC)c2)C1 ZINC001754685252 1440664700 /nfs/dbraw/zinc/66/47/00/1440664700.db2.gz HOIWGWBCVZZZLP-RDTXWAMCSA-N 1 2 336.863 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)c2cccc(OC)c2)C1 ZINC001754685252 1440664701 /nfs/dbraw/zinc/66/47/01/1440664701.db2.gz HOIWGWBCVZZZLP-RDTXWAMCSA-N 1 2 336.863 3.132 20 30 EGEDLO C/C=C(/C)C(=O)NC[C@@]1(C)CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001754724837 1440675326 /nfs/dbraw/zinc/67/53/26/1440675326.db2.gz HXHJOIWPYFVCFC-CCJGRBBLSA-N 1 2 343.446 3.382 20 30 EGEDLO C/C=C(/C)C(=O)NC[C@@]1(C)CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001754724837 1440675327 /nfs/dbraw/zinc/67/53/27/1440675327.db2.gz HXHJOIWPYFVCFC-CCJGRBBLSA-N 1 2 343.446 3.382 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@]1(C)CCC[N@@H+]([C@@H](C)c2nc(C)no2)C1 ZINC001754727951 1440677454 /nfs/dbraw/zinc/67/74/54/1440677454.db2.gz PJYAQYGNLCKBKX-KBXCAEBGSA-N 1 2 334.464 3.014 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@]1(C)CCC[N@H+]([C@@H](C)c2nc(C)no2)C1 ZINC001754727951 1440677455 /nfs/dbraw/zinc/67/74/55/1440677455.db2.gz PJYAQYGNLCKBKX-KBXCAEBGSA-N 1 2 334.464 3.014 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@]1(C)CCC[N@@H+]([C@@H](C)c2nc(C)no2)C1 ZINC001754730296 1440678616 /nfs/dbraw/zinc/67/86/16/1440678616.db2.gz FPNTXPCRSWQZOQ-LIRRHRJNSA-N 1 2 348.491 3.260 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@]1(C)CCC[N@H+]([C@@H](C)c2nc(C)no2)C1 ZINC001754730296 1440678617 /nfs/dbraw/zinc/67/86/17/1440678617.db2.gz FPNTXPCRSWQZOQ-LIRRHRJNSA-N 1 2 348.491 3.260 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@H]1COCC[N@@H+]1Cc1cc(C)cc(C)c1 ZINC001754969673 1440718626 /nfs/dbraw/zinc/71/86/26/1440718626.db2.gz FAYWJNDZBNNOLS-QUCCMNQESA-N 1 2 344.499 3.223 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@H]1COCC[N@H+]1Cc1cc(C)cc(C)c1 ZINC001754969673 1440718627 /nfs/dbraw/zinc/71/86/27/1440718627.db2.gz FAYWJNDZBNNOLS-QUCCMNQESA-N 1 2 344.499 3.223 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2nnc(CC)[nH]2)CC1 ZINC001755030478 1440731065 /nfs/dbraw/zinc/73/10/65/1440731065.db2.gz ZEZRYNLFZHFYIS-GJZGRUSLSA-N 1 2 347.507 3.001 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2nnc(CC)[nH]2)CC1 ZINC001755030478 1440731066 /nfs/dbraw/zinc/73/10/66/1440731066.db2.gz ZEZRYNLFZHFYIS-GJZGRUSLSA-N 1 2 347.507 3.001 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(CO)(NC(=O)[C@H](C)CCC(C)(C)C)CC1 ZINC001755180914 1440770998 /nfs/dbraw/zinc/77/09/98/1440770998.db2.gz KFFDOLNWUNLEMR-CQSZACIVSA-N 1 2 344.927 3.144 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ncc(CC)o1 ZINC001755196820 1440777299 /nfs/dbraw/zinc/77/72/99/1440777299.db2.gz CIQNIYZHHKBAMT-HZPDHXFCSA-N 1 2 333.476 3.262 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ncc(CC)o1 ZINC001755196820 1440777300 /nfs/dbraw/zinc/77/73/00/1440777300.db2.gz CIQNIYZHHKBAMT-HZPDHXFCSA-N 1 2 333.476 3.262 20 30 EGEDLO C=CCC[C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001755281131 1440800664 /nfs/dbraw/zinc/80/06/64/1440800664.db2.gz YZVGKLGTGKZDMJ-NWDGAFQWSA-N 1 2 326.378 3.316 20 30 EGEDLO C=CCC[C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)C(F)C(F)(F)F ZINC001755281131 1440800663 /nfs/dbraw/zinc/80/06/63/1440800663.db2.gz YZVGKLGTGKZDMJ-NWDGAFQWSA-N 1 2 326.378 3.316 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@H](C)[N@H+](C)Cc1nc(C2CCCCC2)cs1 ZINC001755293025 1440804828 /nfs/dbraw/zinc/80/48/28/1440804828.db2.gz OKUQAAXPUGOSKK-KBPBESRZSA-N 1 2 348.516 3.287 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@H](C)[N@@H+](C)Cc1nc(C2CCCCC2)cs1 ZINC001755293025 1440804829 /nfs/dbraw/zinc/80/48/29/1440804829.db2.gz OKUQAAXPUGOSKK-KBPBESRZSA-N 1 2 348.516 3.287 20 30 EGEDLO C=CCC1(C(=O)N[C@@H](C)C2C[NH+](Cc3cccc(Cl)n3)C2)CCC1 ZINC001755381622 1440839458 /nfs/dbraw/zinc/83/94/58/1440839458.db2.gz JOMASCOEUATYEE-AWEZNQCLSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C(C)(C)Cc2ccccc2)C1 ZINC001755388984 1440841392 /nfs/dbraw/zinc/84/13/92/1440841392.db2.gz NAOCTVJQXMWVPT-OAHLLOKOSA-N 1 2 334.891 3.444 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCCC(F)(F)F)C(C)(C)C1 ZINC001755412439 1440846792 /nfs/dbraw/zinc/84/67/92/1440846792.db2.gz UPFOABAFAODODX-NSHDSACASA-N 1 2 326.790 3.298 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCCC(F)(F)F)C(C)(C)C1 ZINC001755412439 1440846793 /nfs/dbraw/zinc/84/67/93/1440846793.db2.gz UPFOABAFAODODX-NSHDSACASA-N 1 2 326.790 3.298 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1cscn1)CC2 ZINC001755700390 1440899791 /nfs/dbraw/zinc/89/97/91/1440899791.db2.gz DTKONZBERJGGSO-YJBOKZPZSA-N 1 2 333.501 3.359 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1cscn1)CC2 ZINC001755700390 1440899792 /nfs/dbraw/zinc/89/97/92/1440899792.db2.gz DTKONZBERJGGSO-YJBOKZPZSA-N 1 2 333.501 3.359 20 30 EGEDLO C[C@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000177824092 232004413 /nfs/dbraw/zinc/00/44/13/232004413.db2.gz OKPYGSSXLCLZCE-KXBFYZLASA-N 1 2 340.448 3.025 20 30 EGEDLO C[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000177824092 232004416 /nfs/dbraw/zinc/00/44/16/232004416.db2.gz OKPYGSSXLCLZCE-KXBFYZLASA-N 1 2 340.448 3.025 20 30 EGEDLO C[C@H]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129818013 223094679 /nfs/dbraw/zinc/09/46/79/223094679.db2.gz OGUVXDUNQMPORW-LRDDRELGSA-N 1 2 327.363 3.009 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](OCCC(C)C)C2)c(C#N)c1C ZINC000246464562 243258242 /nfs/dbraw/zinc/25/82/42/243258242.db2.gz NQFFHHNMWDFMFN-GOEBONIOSA-N 1 2 347.459 3.232 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](OCCC(C)C)C2)c(C#N)c1C ZINC000246464562 243258246 /nfs/dbraw/zinc/25/82/46/243258246.db2.gz NQFFHHNMWDFMFN-GOEBONIOSA-N 1 2 347.459 3.232 20 30 EGEDLO N#Cc1cccc(Cl)c1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000266170370 248147607 /nfs/dbraw/zinc/14/76/07/248147607.db2.gz QWRAUQMMNZTBRT-UHFFFAOYSA-N 1 2 328.803 3.055 20 30 EGEDLO N#Cc1cc(Br)ccc1N1CCN(c2cccc[nH+]2)CC1 ZINC000095398704 218331674 /nfs/dbraw/zinc/33/16/74/218331674.db2.gz OMFQQFGLUQOOAI-UHFFFAOYSA-N 1 2 343.228 3.042 20 30 EGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1c(F)cc(C#N)cc1F ZINC000267569526 251159938 /nfs/dbraw/zinc/15/99/38/251159938.db2.gz WRJQDELIRWDJFV-UHFFFAOYSA-N 1 2 330.260 3.232 20 30 EGEDLO CCc1nc([C@H](C)[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)cs1 ZINC000267681165 251249602 /nfs/dbraw/zinc/24/96/02/251249602.db2.gz MJKCMAGMNRYYDW-JQWIXIFHSA-N 1 2 346.481 3.095 20 30 EGEDLO COc1ccccc1[C@@H](CNCc1ccc(C#N)o1)[NH+]1CCCC1 ZINC000174239968 532974298 /nfs/dbraw/zinc/97/42/98/532974298.db2.gz UEZPOODZGOVDQS-GOSISDBHSA-N 1 2 325.412 3.087 20 30 EGEDLO COc1ccc([C@H](CNCc2ccc(C#N)o2)[NH+]2CCCC2)cc1 ZINC000174243154 533182526 /nfs/dbraw/zinc/18/25/26/533182526.db2.gz JDUKFEDOZVSMKP-IBGZPJMESA-N 1 2 325.412 3.087 20 30 EGEDLO CCC#C[C@@H](C)[NH+]1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000677802567 549334020 /nfs/dbraw/zinc/33/40/20/549334020.db2.gz RQWBURGQXXECJK-CQSZACIVSA-N 1 2 338.373 3.265 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186598104 144138850 /nfs/dbraw/zinc/13/88/50/144138850.db2.gz GLYOXEVFVIXDGF-QVKFZJNVSA-N 1 2 347.418 3.017 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186598104 144138851 /nfs/dbraw/zinc/13/88/51/144138851.db2.gz GLYOXEVFVIXDGF-QVKFZJNVSA-N 1 2 347.418 3.017 20 30 EGEDLO C[S@@](=O)C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccccc1 ZINC000187433970 144158779 /nfs/dbraw/zinc/15/87/79/144158779.db2.gz LPIJAQQEXAAGIV-HTAPYJJXSA-N 1 2 332.856 3.421 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[NH2+][C@@H]3CCCc4c(O)cccc43)o2)cc1 ZINC000192367812 144173778 /nfs/dbraw/zinc/17/37/78/144173778.db2.gz WNFLSSLRHYZOQF-QGZVFWFLSA-N 1 2 346.390 3.481 20 30 EGEDLO COc1ccccc1-c1noc([C@H](C)[NH2+]Cc2ccc(C#N)cc2)n1 ZINC000364303790 144397944 /nfs/dbraw/zinc/39/79/44/144397944.db2.gz ORRYTKZDGDUQEW-ZDUSSCGKSA-N 1 2 334.379 3.468 20 30 EGEDLO COc1ccccc1N1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000191883347 153228161 /nfs/dbraw/zinc/22/81/61/153228161.db2.gz CBZYPKUOMKPPMU-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO CSc1ccccc1[C@@H](C)[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000336965456 163095107 /nfs/dbraw/zinc/09/51/07/163095107.db2.gz JFEURUDHVDLLLU-SJKOYZFVSA-N 1 2 325.437 3.157 20 30 EGEDLO COc1cc(C#N)ccc1C[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000337232081 163172707 /nfs/dbraw/zinc/17/27/07/163172707.db2.gz VFHPLSWUTUQFHP-HNNXBMFYSA-N 1 2 334.778 3.183 20 30 EGEDLO Cc1noc([C@H]([NH2+]Cc2ccc(C#N)cc2Cl)C2CCOCC2)n1 ZINC000345845631 164277936 /nfs/dbraw/zinc/27/79/36/164277936.db2.gz IALQMOQCPHIEQI-MRXNPFEDSA-N 1 2 346.818 3.161 20 30 EGEDLO Cc1nsc(N2CC[NH+](CCO[C@@H]3CCCC[C@H]3C)CC2)c1C#N ZINC000352189653 165275395 /nfs/dbraw/zinc/27/53/95/165275395.db2.gz NTQLOVBBDKKGMG-RHSMWYFYSA-N 1 2 348.516 3.041 20 30 EGEDLO N#Cc1cc(F)c(N[C@H](C[NH+]2CCOCC2)c2ccccc2)c(F)c1 ZINC000301165804 269952483 /nfs/dbraw/zinc/95/24/83/269952483.db2.gz CTGDBXCPJCGNQK-GOSISDBHSA-N 1 2 343.377 3.322 20 30 EGEDLO Cc1cccc([C@@H](CNc2ccc(F)cc2C#N)[NH+]2CCOCC2)c1 ZINC000301328027 270044101 /nfs/dbraw/zinc/04/41/01/270044101.db2.gz AFCFFIBKYATUJE-HXUWFJFHSA-N 1 2 339.414 3.491 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 ZINC000411131667 270046702 /nfs/dbraw/zinc/04/67/02/270046702.db2.gz XMKJHAQTFDRWGD-RTWAWAEBSA-N 1 2 345.446 3.006 20 30 EGEDLO COc1ccc(C[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C2CC2)cc1C#N ZINC000411901084 270046809 /nfs/dbraw/zinc/04/68/09/270046809.db2.gz DRLQCBJRUOFSJI-ZDUSSCGKSA-N 1 2 330.428 3.261 20 30 EGEDLO COc1ccc(C[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C2CC2)cc1C#N ZINC000411901084 270046810 /nfs/dbraw/zinc/04/68/10/270046810.db2.gz DRLQCBJRUOFSJI-ZDUSSCGKSA-N 1 2 330.428 3.261 20 30 EGEDLO N#Cc1nc(NCCCCNc2cccc[nH+]2)ccc1C(F)(F)F ZINC000443512026 270052081 /nfs/dbraw/zinc/05/20/81/270052081.db2.gz RQDLTJJTCARXAQ-UHFFFAOYSA-N 1 2 335.333 3.093 20 30 EGEDLO CC[C@@H](C)C[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000334053398 266357503 /nfs/dbraw/zinc/35/75/03/266357503.db2.gz KSUARBXHLABZNV-SJORKVTESA-N 1 2 342.487 3.210 20 30 EGEDLO C[C@@]12CC[N@H+](CC(=O)Nc3sccc3C#N)C[C@@H]1C2(Cl)Cl ZINC000284983445 267121084 /nfs/dbraw/zinc/12/10/84/267121084.db2.gz YCDBRIMRUVNGIN-GXFFZTMASA-N 1 2 344.267 3.074 20 30 EGEDLO C[C@@]12CC[N@@H+](CC(=O)Nc3sccc3C#N)C[C@@H]1C2(Cl)Cl ZINC000284983445 267121087 /nfs/dbraw/zinc/12/10/87/267121087.db2.gz YCDBRIMRUVNGIN-GXFFZTMASA-N 1 2 344.267 3.074 20 30 EGEDLO CC[C@@H]1C[N@H+](Cc2cn3ccccc3c2C#N)[C@@H](CC)CN1C(C)=O ZINC000472349916 267203497 /nfs/dbraw/zinc/20/34/97/267203497.db2.gz OTCIHVVOTJXRTN-ZWKOTPCHSA-N 1 2 338.455 3.032 20 30 EGEDLO CC[C@@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)[C@@H](CC)CN1C(C)=O ZINC000472349916 267203499 /nfs/dbraw/zinc/20/34/99/267203499.db2.gz OTCIHVVOTJXRTN-ZWKOTPCHSA-N 1 2 338.455 3.032 20 30 EGEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000456365703 267257691 /nfs/dbraw/zinc/25/76/91/267257691.db2.gz WCHJLXHPUCIDOJ-LBPRGKRZSA-N 1 2 328.391 3.069 20 30 EGEDLO Cc1c(C#N)c(N2CC[NH+](Cc3ccncc3)CC2)nc2ccccc12 ZINC000296290784 267273947 /nfs/dbraw/zinc/27/39/47/267273947.db2.gz HSXXZNCQYWKTFY-UHFFFAOYSA-N 1 2 343.434 3.132 20 30 EGEDLO C[NH+](C)Cc1csc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)n1 ZINC000457295075 267284411 /nfs/dbraw/zinc/28/44/11/267284411.db2.gz QSUMUGJQRHFALW-UHFFFAOYSA-N 1 2 342.468 3.284 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccnc(Cl)c3Cl)C2)nc1 ZINC000292684028 268182763 /nfs/dbraw/zinc/18/27/63/268182763.db2.gz AWJAIHPFVSFHLM-CYBMUJFWSA-N 1 2 349.221 3.308 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccnc(Cl)c3Cl)C2)nc1 ZINC000292684028 268182765 /nfs/dbraw/zinc/18/27/65/268182765.db2.gz AWJAIHPFVSFHLM-CYBMUJFWSA-N 1 2 349.221 3.308 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCN(CC(F)(F)F)CC2)c(Cl)c1 ZINC000439438093 268217097 /nfs/dbraw/zinc/21/70/97/268217097.db2.gz KSAMXDFWGSLMIQ-UHFFFAOYSA-N 1 2 331.769 3.282 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c(Cl)c1 ZINC000439438093 268217098 /nfs/dbraw/zinc/21/70/98/268217098.db2.gz KSAMXDFWGSLMIQ-UHFFFAOYSA-N 1 2 331.769 3.282 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3ccccc3O)CC2)c(Cl)c1 ZINC000439432689 268220814 /nfs/dbraw/zinc/22/08/14/268220814.db2.gz VDBBSLITZBQGRR-UHFFFAOYSA-N 1 2 327.815 3.239 20 30 EGEDLO CC(C)c1cccc2c1CC[N@@H+]([C@H](C(N)=O)c1ccc(C#N)cc1)C2 ZINC000355373391 278057805 /nfs/dbraw/zinc/05/78/05/278057805.db2.gz ATAFHOKRNXGWSO-FQEVSTJZSA-N 1 2 333.435 3.266 20 30 EGEDLO CC(C)c1cccc2c1CC[N@H+]([C@H](C(N)=O)c1ccc(C#N)cc1)C2 ZINC000355373391 278057806 /nfs/dbraw/zinc/05/78/06/278057806.db2.gz ATAFHOKRNXGWSO-FQEVSTJZSA-N 1 2 333.435 3.266 20 30 EGEDLO N#Cc1cccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000067555022 307366202 /nfs/dbraw/zinc/36/62/02/307366202.db2.gz ZSHFEVGVJKJBNO-UHFFFAOYSA-N 1 2 335.342 3.205 20 30 EGEDLO CC(C)[C@@H]([NH2+]CCCOc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000537223941 314169451 /nfs/dbraw/zinc/16/94/51/314169451.db2.gz IONDPOYWBXNDRF-QGZVFWFLSA-N 1 2 332.444 3.283 20 30 EGEDLO CC[C@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1c(C)noc1C ZINC000544475580 314698362 /nfs/dbraw/zinc/69/83/62/314698362.db2.gz KKQQVXOMNQFBGU-INIZCTEOSA-N 1 2 327.384 3.191 20 30 EGEDLO Cc1cccn2cc(Cc3noc(CCc4ccc(C#N)cc4)n3)[nH+]c12 ZINC000546382316 314824161 /nfs/dbraw/zinc/82/41/61/314824161.db2.gz SQIMECVVGHUZGE-UHFFFAOYSA-N 1 2 343.390 3.273 20 30 EGEDLO CC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCCC1 ZINC000548690856 315035901 /nfs/dbraw/zinc/03/59/01/315035901.db2.gz KZLPUIMHDBPIBG-UHFFFAOYSA-N 1 2 325.456 3.173 20 30 EGEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000563624436 316048540 /nfs/dbraw/zinc/04/85/40/316048540.db2.gz LTFKDSAYKJTRHH-GOSISDBHSA-N 1 2 336.439 3.002 20 30 EGEDLO C[C@@H]1CCN(c2cc(C(F)(F)F)cnc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000564544632 316165842 /nfs/dbraw/zinc/16/58/42/316165842.db2.gz SNTHXIQHAZZVDW-ABAIWWIYSA-N 1 2 335.333 3.256 20 30 EGEDLO N#Cc1cnc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCCC2)nc1 ZINC000565294093 316305226 /nfs/dbraw/zinc/30/52/26/316305226.db2.gz NXUJCRVEUHKQSP-IBGZPJMESA-N 1 2 336.439 3.122 20 30 EGEDLO Cc1csc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)c1C#N ZINC000570118777 317010541 /nfs/dbraw/zinc/01/05/41/317010541.db2.gz RYXAMYQPBIQZLF-UHFFFAOYSA-N 1 2 337.408 3.436 20 30 EGEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1c1ncc(C#N)cc1F ZINC000570781009 317106790 /nfs/dbraw/zinc/10/67/90/317106790.db2.gz SXRSVKNCPZYISS-OAHLLOKOSA-N 1 2 335.386 3.420 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180492988 455181846 /nfs/dbraw/zinc/18/18/46/455181846.db2.gz AGTVIPBWTZVMMG-LBPRGKRZSA-N 1 2 326.362 3.125 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180492988 455181852 /nfs/dbraw/zinc/18/18/52/455181852.db2.gz AGTVIPBWTZVMMG-LBPRGKRZSA-N 1 2 326.362 3.125 20 30 EGEDLO N#Cc1cc(NCc2cc[nH+]c(N3CCCCC3)c2)ccc1[N+](=O)[O-] ZINC000157685997 455220955 /nfs/dbraw/zinc/22/09/55/455220955.db2.gz WUPLMWFZDNQGNU-UHFFFAOYSA-N 1 2 337.383 3.464 20 30 EGEDLO CSc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(Cl)cc1Cl ZINC000577114308 458981392 /nfs/dbraw/zinc/98/13/92/458981392.db2.gz ITCMRAKOCQNPMC-AWEZNQCLSA-N 1 2 346.283 3.289 20 30 EGEDLO C[C@@]1(C#N)CCC[N@H+](C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000612167526 460559333 /nfs/dbraw/zinc/55/93/33/460559333.db2.gz NXDYQGNXBGJSSX-CJNGLKHVSA-N 1 2 342.361 3.071 20 30 EGEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000612167526 460559339 /nfs/dbraw/zinc/55/93/39/460559339.db2.gz NXDYQGNXBGJSSX-CJNGLKHVSA-N 1 2 342.361 3.071 20 30 EGEDLO N#CCSCCC[N@@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000173880148 455337767 /nfs/dbraw/zinc/33/77/67/455337767.db2.gz QNSQJMFCIPEFMZ-OAHLLOKOSA-N 1 2 328.840 3.499 20 30 EGEDLO N#CCSCCC[N@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000173880148 455337773 /nfs/dbraw/zinc/33/77/73/455337773.db2.gz QNSQJMFCIPEFMZ-OAHLLOKOSA-N 1 2 328.840 3.499 20 30 EGEDLO C=CCOc1ccc(C(=O)NCCNc2ccc3ccccc3[nH+]2)cc1 ZINC000605445419 460583300 /nfs/dbraw/zinc/58/33/00/460583300.db2.gz NXFKMHVFIIJZEW-UHFFFAOYSA-N 1 2 347.418 3.063 20 30 EGEDLO N#CCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1 ZINC000009881804 453263438 /nfs/dbraw/zinc/26/34/38/453263438.db2.gz NMMJWXXYEBZNPI-UHFFFAOYSA-N 1 2 345.447 3.398 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccc2c(c1)OCO2)Cc1cccs1 ZINC000019540424 453657393 /nfs/dbraw/zinc/65/73/93/453657393.db2.gz RKDYLZFQLVHENR-UHFFFAOYSA-N 1 2 330.409 3.104 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCO2)Cc1cccs1 ZINC000019540424 453657397 /nfs/dbraw/zinc/65/73/97/453657397.db2.gz RKDYLZFQLVHENR-UHFFFAOYSA-N 1 2 330.409 3.104 20 30 EGEDLO CC[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000029931549 453832820 /nfs/dbraw/zinc/83/28/20/453832820.db2.gz XOIRJOSCRIMCAB-OAQYLSRUSA-N 1 2 347.462 3.396 20 30 EGEDLO C[N@H+](Cc1cncc(Br)c1)Cc1cc(C#N)ccc1F ZINC000030209551 453834271 /nfs/dbraw/zinc/83/42/71/453834271.db2.gz OVPATKUBCGOWGM-UHFFFAOYSA-N 1 2 334.192 3.487 20 30 EGEDLO C[N@@H+](Cc1cncc(Br)c1)Cc1cc(C#N)ccc1F ZINC000030209551 453834272 /nfs/dbraw/zinc/83/42/72/453834272.db2.gz OVPATKUBCGOWGM-UHFFFAOYSA-N 1 2 334.192 3.487 20 30 EGEDLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cc(C#N)ccc1F ZINC000030960617 453842187 /nfs/dbraw/zinc/84/21/87/453842187.db2.gz XHMJIVXNEBOIBO-UHFFFAOYSA-N 1 2 341.386 3.167 20 30 EGEDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cc(C#N)ccc1F ZINC000030960617 453842190 /nfs/dbraw/zinc/84/21/90/453842190.db2.gz XHMJIVXNEBOIBO-UHFFFAOYSA-N 1 2 341.386 3.167 20 30 EGEDLO CC[N@@H+](CC(=O)NCCc1cccc(Cl)c1Cl)C[C@H](C)C#N ZINC000066424807 453844173 /nfs/dbraw/zinc/84/41/73/453844173.db2.gz JXXPJHCHCDBENO-GFCCVEGCSA-N 1 2 342.270 3.134 20 30 EGEDLO CC[N@H+](CC(=O)NCCc1cccc(Cl)c1Cl)C[C@H](C)C#N ZINC000066424807 453844175 /nfs/dbraw/zinc/84/41/75/453844175.db2.gz JXXPJHCHCDBENO-GFCCVEGCSA-N 1 2 342.270 3.134 20 30 EGEDLO CC[N@@H+](CC(=O)NCC1(c2ccc(F)cc2)CCCC1)C[C@H](C)C#N ZINC000066424751 453844199 /nfs/dbraw/zinc/84/41/99/453844199.db2.gz ICZVFBZKNKQYAW-MRXNPFEDSA-N 1 2 345.462 3.235 20 30 EGEDLO CC[N@H+](CC(=O)NCC1(c2ccc(F)cc2)CCCC1)C[C@H](C)C#N ZINC000066424751 453844200 /nfs/dbraw/zinc/84/42/00/453844200.db2.gz ICZVFBZKNKQYAW-MRXNPFEDSA-N 1 2 345.462 3.235 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1ccc(Br)s1 ZINC000053149171 453861761 /nfs/dbraw/zinc/86/17/61/453861761.db2.gz FQCLWKMLNOODGV-UHFFFAOYSA-N 1 2 345.306 3.367 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1ccc(Br)s1 ZINC000053149171 453861765 /nfs/dbraw/zinc/86/17/65/453861765.db2.gz FQCLWKMLNOODGV-UHFFFAOYSA-N 1 2 345.306 3.367 20 30 EGEDLO C=CCN(CC=C)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000054008279 453905030 /nfs/dbraw/zinc/90/50/30/453905030.db2.gz ZLFPJEKZGLJWTH-MRXNPFEDSA-N 1 2 328.391 3.032 20 30 EGEDLO C=CC[N@H+](CC(=O)NCc1ccccc1F)Cc1ccc(OC)cc1 ZINC000054272232 453919644 /nfs/dbraw/zinc/91/96/44/453919644.db2.gz HSSGTAFSIFUMGB-UHFFFAOYSA-N 1 2 342.414 3.139 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCc1ccccc1F)Cc1ccc(OC)cc1 ZINC000054272232 453919648 /nfs/dbraw/zinc/91/96/48/453919648.db2.gz HSSGTAFSIFUMGB-UHFFFAOYSA-N 1 2 342.414 3.139 20 30 EGEDLO N#CC1(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)CCCC1 ZINC000083006594 453932261 /nfs/dbraw/zinc/93/22/61/453932261.db2.gz SRLQIFORRZGKOW-UHFFFAOYSA-N 1 2 336.439 3.216 20 30 EGEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCCc3sccc3C2)C1=O ZINC000083171055 453941504 /nfs/dbraw/zinc/94/15/04/453941504.db2.gz JTZWZIFIUIHPDN-CQSZACIVSA-N 1 2 343.477 3.235 20 30 EGEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCCc3sccc3C2)C1=O ZINC000083171055 453941505 /nfs/dbraw/zinc/94/15/05/453941505.db2.gz JTZWZIFIUIHPDN-CQSZACIVSA-N 1 2 343.477 3.235 20 30 EGEDLO Cc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076154121 453972626 /nfs/dbraw/zinc/97/26/26/453972626.db2.gz KKYGLMDWUQIEQK-LEWJYISDSA-N 1 2 347.462 3.383 20 30 EGEDLO Cc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076154121 453972629 /nfs/dbraw/zinc/97/26/29/453972629.db2.gz KKYGLMDWUQIEQK-LEWJYISDSA-N 1 2 347.462 3.383 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2ccc(F)c(F)c2)c(C#N)c1C ZINC000044438794 454101475 /nfs/dbraw/zinc/10/14/75/454101475.db2.gz GHOFGJXPJHYBNS-UHFFFAOYSA-N 1 2 333.338 3.117 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+](C)Cc2ccc(F)c(F)c2)c(C#N)c1C ZINC000044438794 454101477 /nfs/dbraw/zinc/10/14/77/454101477.db2.gz GHOFGJXPJHYBNS-UHFFFAOYSA-N 1 2 333.338 3.117 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000057753710 454145278 /nfs/dbraw/zinc/14/52/78/454145278.db2.gz KZVUPAHTSLFSQQ-ZDUSSCGKSA-N 1 2 339.281 3.093 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000057753710 454145279 /nfs/dbraw/zinc/14/52/79/454145279.db2.gz KZVUPAHTSLFSQQ-ZDUSSCGKSA-N 1 2 339.281 3.093 20 30 EGEDLO C=CC[N@@H+](Cc1noc(CCCC(=O)OC)n1)CC1CCCCC1 ZINC000069859716 454153457 /nfs/dbraw/zinc/15/34/57/454153457.db2.gz OZQOHZBSGBHZFX-UHFFFAOYSA-N 1 2 335.448 3.134 20 30 EGEDLO C=CC[N@H+](Cc1noc(CCCC(=O)OC)n1)CC1CCCCC1 ZINC000069859716 454153461 /nfs/dbraw/zinc/15/34/61/454153461.db2.gz OZQOHZBSGBHZFX-UHFFFAOYSA-N 1 2 335.448 3.134 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(C#N)CC1 ZINC000057880645 454154883 /nfs/dbraw/zinc/15/48/83/454154883.db2.gz ULVJYIOIXQTBAH-LLVKDONJSA-N 1 2 325.334 3.268 20 30 EGEDLO CN(Cc1cccc(C#N)c1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045711263 454175745 /nfs/dbraw/zinc/17/57/45/454175745.db2.gz ZKEGFRIZFRMIKM-UHFFFAOYSA-N 1 2 330.391 3.075 20 30 EGEDLO CC(C)(C)c1cnc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000045958359 454200371 /nfs/dbraw/zinc/20/03/71/454200371.db2.gz WXIQQJGYTCCHRQ-UHFFFAOYSA-N 1 2 338.455 3.162 20 30 EGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(CC#N)cc2)c1C ZINC000058612703 454220652 /nfs/dbraw/zinc/22/06/52/454220652.db2.gz RBFFBJOZLVGSIQ-UHFFFAOYSA-N 1 2 338.411 3.437 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000046286941 454236608 /nfs/dbraw/zinc/23/66/08/454236608.db2.gz HIXTWKQWLJKLIR-UHFFFAOYSA-N 1 2 330.457 3.107 20 30 EGEDLO N#CCc1ccc(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000072484713 454297334 /nfs/dbraw/zinc/29/73/34/454297334.db2.gz QYUIGTMUYBDLPW-UHFFFAOYSA-N 1 2 345.406 3.319 20 30 EGEDLO COc1ccccc1[C@H](C)NC(=O)C[N@H+](CCC#N)CCC(C)C ZINC000072692000 454328015 /nfs/dbraw/zinc/32/80/15/454328015.db2.gz GZDIWVDMRXPSLP-INIZCTEOSA-N 1 2 331.460 3.134 20 30 EGEDLO COc1ccccc1[C@H](C)NC(=O)C[N@@H+](CCC#N)CCC(C)C ZINC000072692000 454328019 /nfs/dbraw/zinc/32/80/19/454328019.db2.gz GZDIWVDMRXPSLP-INIZCTEOSA-N 1 2 331.460 3.134 20 30 EGEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000191100176 455442404 /nfs/dbraw/zinc/44/24/04/455442404.db2.gz QLVLOFZTORAHLQ-CYBMUJFWSA-N 1 2 340.851 3.118 20 30 EGEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000191100176 455442409 /nfs/dbraw/zinc/44/24/09/455442409.db2.gz QLVLOFZTORAHLQ-CYBMUJFWSA-N 1 2 340.851 3.118 20 30 EGEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000191096309 455442481 /nfs/dbraw/zinc/44/24/81/455442481.db2.gz RDLPHLLTZUKJMB-GFCCVEGCSA-N 1 2 330.350 3.167 20 30 EGEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000191096309 455442482 /nfs/dbraw/zinc/44/24/82/455442482.db2.gz RDLPHLLTZUKJMB-GFCCVEGCSA-N 1 2 330.350 3.167 20 30 EGEDLO COCC[N@@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)CC(C)C ZINC000091066545 454375524 /nfs/dbraw/zinc/37/55/24/454375524.db2.gz SPKGKCYTFSFQQF-UHFFFAOYSA-N 1 2 326.444 3.157 20 30 EGEDLO COCC[N@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)CC(C)C ZINC000091066545 454375527 /nfs/dbraw/zinc/37/55/27/454375527.db2.gz SPKGKCYTFSFQQF-UHFFFAOYSA-N 1 2 326.444 3.157 20 30 EGEDLO C=CC[NH+](CC=C)CC(=O)Nc1nc2ccc(OCC)cc2s1 ZINC000096969245 454384066 /nfs/dbraw/zinc/38/40/66/454384066.db2.gz IUYVUVNCAUXIHV-UHFFFAOYSA-N 1 2 331.441 3.308 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1cccc(C#N)c1 ZINC000063300783 454403766 /nfs/dbraw/zinc/40/37/66/454403766.db2.gz FJTAQCWPSLNVNZ-UHFFFAOYSA-N 1 2 335.407 3.194 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1cccc(C#N)c1 ZINC000063300783 454403769 /nfs/dbraw/zinc/40/37/69/454403769.db2.gz FJTAQCWPSLNVNZ-UHFFFAOYSA-N 1 2 335.407 3.194 20 30 EGEDLO CC(C)NC(=O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000064248248 454470889 /nfs/dbraw/zinc/47/08/89/454470889.db2.gz XHJYMWFCAJOJOE-UHFFFAOYSA-N 1 2 339.414 3.224 20 30 EGEDLO CC(C)NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000064248248 454470894 /nfs/dbraw/zinc/47/08/94/454470894.db2.gz XHJYMWFCAJOJOE-UHFFFAOYSA-N 1 2 339.414 3.224 20 30 EGEDLO N#CC1(NC(=O)C[N@H+]2CCc3c(Cl)cccc3C2)CCCCC1 ZINC000133838866 454472089 /nfs/dbraw/zinc/47/20/89/454472089.db2.gz WIBLDNHHUNOPFG-UHFFFAOYSA-N 1 2 331.847 3.041 20 30 EGEDLO N#CC1(NC(=O)C[N@@H+]2CCc3c(Cl)cccc3C2)CCCCC1 ZINC000133838866 454472091 /nfs/dbraw/zinc/47/20/91/454472091.db2.gz WIBLDNHHUNOPFG-UHFFFAOYSA-N 1 2 331.847 3.041 20 30 EGEDLO C=CCn1c(SCCn2cc[nH+]c2)nnc1-c1ccccc1OC ZINC000121857799 454486078 /nfs/dbraw/zinc/48/60/78/454486078.db2.gz RNIBXUVOUKMMBK-UHFFFAOYSA-N 1 2 341.440 3.129 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)o1 ZINC000073872339 454494316 /nfs/dbraw/zinc/49/43/16/454494316.db2.gz AOFWTKPHKHCIHC-LBPRGKRZSA-N 1 2 343.265 3.287 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)o1 ZINC000073872339 454494322 /nfs/dbraw/zinc/49/43/22/454494322.db2.gz AOFWTKPHKHCIHC-LBPRGKRZSA-N 1 2 343.265 3.287 20 30 EGEDLO O=C(CCCn1cc[nH+]c1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000620413241 460646048 /nfs/dbraw/zinc/64/60/48/460646048.db2.gz IXYBRJVFPADDLC-UHFFFAOYSA-N 1 2 330.391 3.097 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCc1cccc(COC)c1)Cc1cccs1 ZINC000051824532 454638916 /nfs/dbraw/zinc/63/89/16/454638916.db2.gz IUPMSPZSIBTXEC-UHFFFAOYSA-N 1 2 344.480 3.199 20 30 EGEDLO C=CC[N@H+](CC(=O)NCc1cccc(COC)c1)Cc1cccs1 ZINC000051824532 454638919 /nfs/dbraw/zinc/63/89/19/454638919.db2.gz IUPMSPZSIBTXEC-UHFFFAOYSA-N 1 2 344.480 3.199 20 30 EGEDLO Cc1cccc(C2=CC[N@H+](CC(=O)NC3(C#N)CCCCC3)CC2)c1 ZINC000092822313 454641606 /nfs/dbraw/zinc/64/16/06/454641606.db2.gz KMTUUZOQWMYNGG-UHFFFAOYSA-N 1 2 337.467 3.427 20 30 EGEDLO Cc1cccc(C2=CC[N@@H+](CC(=O)NC3(C#N)CCCCC3)CC2)c1 ZINC000092822313 454641611 /nfs/dbraw/zinc/64/16/11/454641611.db2.gz KMTUUZOQWMYNGG-UHFFFAOYSA-N 1 2 337.467 3.427 20 30 EGEDLO COCC[N@H+](CCC#N)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000093100211 454681694 /nfs/dbraw/zinc/68/16/94/454681694.db2.gz YLJQMKBIFAQKNB-UHFFFAOYSA-N 1 2 349.434 3.499 20 30 EGEDLO COCC[N@@H+](CCC#N)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000093100211 454681698 /nfs/dbraw/zinc/68/16/98/454681698.db2.gz YLJQMKBIFAQKNB-UHFFFAOYSA-N 1 2 349.434 3.499 20 30 EGEDLO N#CC1(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)CCCC1 ZINC000161609759 454707612 /nfs/dbraw/zinc/70/76/12/454707612.db2.gz PXOGTLOJHGWPHN-UHFFFAOYSA-N 1 2 331.847 3.068 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000125108077 454797349 /nfs/dbraw/zinc/79/73/49/454797349.db2.gz QPDQREKTNXUCMD-ZIAGYGMSSA-N 1 2 349.525 3.314 20 30 EGEDLO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccccn1 ZINC000125364878 454817089 /nfs/dbraw/zinc/81/70/89/454817089.db2.gz WGRBBFGOWVMDGH-UHFFFAOYSA-N 1 2 328.803 3.067 20 30 EGEDLO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccccn1 ZINC000125364878 454817092 /nfs/dbraw/zinc/81/70/92/454817092.db2.gz WGRBBFGOWVMDGH-UHFFFAOYSA-N 1 2 328.803 3.067 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccncc2)c(C#N)c1C ZINC000125422613 454820890 /nfs/dbraw/zinc/82/08/90/454820890.db2.gz FHJWITVPCVAURM-MRXNPFEDSA-N 1 2 340.452 3.407 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccncc2)c(C#N)c1C ZINC000125422613 454820891 /nfs/dbraw/zinc/82/08/91/454820891.db2.gz FHJWITVPCVAURM-MRXNPFEDSA-N 1 2 340.452 3.407 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125511346 454828431 /nfs/dbraw/zinc/82/84/31/454828431.db2.gz SQCVQDRQSOOKMC-UHFFFAOYSA-N 1 2 347.484 3.372 20 30 EGEDLO C=CC1CC[NH+](Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000111259393 454860274 /nfs/dbraw/zinc/86/02/74/454860274.db2.gz UBEKDADKCBWEEQ-UHFFFAOYSA-N 1 2 337.349 3.079 20 30 EGEDLO C=CC1CCN(C(=O)NCCCn2c(C)[nH+]c3ccccc32)CC1 ZINC000111462645 454866182 /nfs/dbraw/zinc/86/61/82/454866182.db2.gz SJBQYTZNXKKZJF-UHFFFAOYSA-N 1 2 326.444 3.342 20 30 EGEDLO C=CC1CCN(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)CC1 ZINC000111808544 454875855 /nfs/dbraw/zinc/87/58/55/454875855.db2.gz YYKPJADZZJYQIE-KRWDZBQOSA-N 1 2 342.418 3.256 20 30 EGEDLO C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000154855753 454936996 /nfs/dbraw/zinc/93/69/96/454936996.db2.gz AAQWTKMKFBOSMI-AWEZNQCLSA-N 1 2 330.428 3.132 20 30 EGEDLO Cc1ccc2[nH+]c(COc3cccc(C(=O)NC4(C#N)CC4)c3)cn2c1 ZINC000115151179 455001244 /nfs/dbraw/zinc/00/12/44/455001244.db2.gz NFKQCXUQCDIDEL-UHFFFAOYSA-N 1 2 346.390 3.008 20 30 EGEDLO COc1cccc(/C=[NH+]/C[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1O ZINC000115184054 455001984 /nfs/dbraw/zinc/00/19/84/455001984.db2.gz HBRNQNUZYYYIRF-LEBHLANCSA-N 1 2 336.432 3.369 20 30 EGEDLO COc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1C#N ZINC000179194308 455018377 /nfs/dbraw/zinc/01/83/77/455018377.db2.gz PHOWGQLOAFQTNL-LJQANCHMSA-N 1 2 326.371 3.279 20 30 EGEDLO COc1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1C#N ZINC000179194308 455018379 /nfs/dbraw/zinc/01/83/79/455018379.db2.gz PHOWGQLOAFQTNL-LJQANCHMSA-N 1 2 326.371 3.279 20 30 EGEDLO C=CCCCC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000179421763 455046642 /nfs/dbraw/zinc/04/66/42/455046642.db2.gz KNSMPYBFMRTRFT-FUHWJXTLSA-N 1 2 336.863 3.184 20 30 EGEDLO C=CCCCC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000179421763 455046645 /nfs/dbraw/zinc/04/66/45/455046645.db2.gz KNSMPYBFMRTRFT-FUHWJXTLSA-N 1 2 336.863 3.184 20 30 EGEDLO COc1ccc(C#N)cc1CNc1ccccc1C[NH+]1CCOCC1 ZINC000151909210 455047525 /nfs/dbraw/zinc/04/75/25/455047525.db2.gz CALRLZAYBFDJQL-UHFFFAOYSA-N 1 2 337.423 3.011 20 30 EGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCCCC#N)C[C@@H](C)O1 ZINC000171374393 455065976 /nfs/dbraw/zinc/06/59/76/455065976.db2.gz SAXWENZTVQHITI-HZPDHXFCSA-N 1 2 344.459 3.111 20 30 EGEDLO C#CC[N@@H+](Cc1nc2ccccc2c(=O)n1C)[C@@H]1CCc2ccccc21 ZINC000171626990 455081434 /nfs/dbraw/zinc/08/14/34/455081434.db2.gz ZMQPFNYAYVDPNH-HXUWFJFHSA-N 1 2 343.430 3.056 20 30 EGEDLO C#CC[N@H+](Cc1nc2ccccc2c(=O)n1C)[C@@H]1CCc2ccccc21 ZINC000171626990 455081436 /nfs/dbraw/zinc/08/14/36/455081436.db2.gz ZMQPFNYAYVDPNH-HXUWFJFHSA-N 1 2 343.430 3.056 20 30 EGEDLO C[C@@H]1c2cccn2CC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179881906 455092989 /nfs/dbraw/zinc/09/29/89/455092989.db2.gz XBMDODGQLCZSRK-OAHLLOKOSA-N 1 2 331.423 3.337 20 30 EGEDLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179881906 455092994 /nfs/dbraw/zinc/09/29/94/455092994.db2.gz XBMDODGQLCZSRK-OAHLLOKOSA-N 1 2 331.423 3.337 20 30 EGEDLO Cc1cccn2cc(COc3ccc(C(=O)NC[C@H](C)C#N)cc3)[nH+]c12 ZINC000171838520 455097724 /nfs/dbraw/zinc/09/77/24/455097724.db2.gz UFCXWZDIAOIQJC-CQSZACIVSA-N 1 2 348.406 3.111 20 30 EGEDLO N#Cc1cnc(N2CC[NH+](Cc3cccc(F)c3)CC2)c(Cl)c1 ZINC000152596701 455140807 /nfs/dbraw/zinc/14/08/07/455140807.db2.gz BLUVDSOZUOGOSU-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182802354 455167667 /nfs/dbraw/zinc/16/76/67/455167667.db2.gz FAPNAOAVRQBIPL-JTQLQIEISA-N 1 2 338.171 3.447 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182802354 455167670 /nfs/dbraw/zinc/16/76/70/455167670.db2.gz FAPNAOAVRQBIPL-JTQLQIEISA-N 1 2 338.171 3.447 20 30 EGEDLO C[C@H](c1cccc(NC(=O)c2cccc(CC#N)c2)c1)[NH+]1CCOCC1 ZINC000264264874 455196317 /nfs/dbraw/zinc/19/63/17/455196317.db2.gz QUKSZEKYYRVLJK-MRXNPFEDSA-N 1 2 349.434 3.398 20 30 EGEDLO CCOC(=O)CC[N@H+](Cc1cccnc1)Cc1ccc(F)cc1C#N ZINC000180596875 455205055 /nfs/dbraw/zinc/20/50/55/455205055.db2.gz SSTUZINYBZHJJT-UHFFFAOYSA-N 1 2 341.386 3.048 20 30 EGEDLO CCOC(=O)CC[N@@H+](Cc1cccnc1)Cc1ccc(F)cc1C#N ZINC000180596875 455205056 /nfs/dbraw/zinc/20/50/56/455205056.db2.gz SSTUZINYBZHJJT-UHFFFAOYSA-N 1 2 341.386 3.048 20 30 EGEDLO C=CCC[C@H](NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000158692165 455322611 /nfs/dbraw/zinc/32/26/11/455322611.db2.gz KLYBGBMUCUQUKP-LMMKCTJWSA-N 1 2 345.487 3.102 20 30 EGEDLO CCOCCOc1ccc(Br)cc1C[NH2+]C[C@@H](C)C#N ZINC000183837004 455331636 /nfs/dbraw/zinc/33/16/36/455331636.db2.gz SECFDZNYCUSIRD-LBPRGKRZSA-N 1 2 341.249 3.114 20 30 EGEDLO Cc1cccc(C(C)C)c1NC(=O)CO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000174222420 455370831 /nfs/dbraw/zinc/37/08/31/455370831.db2.gz VMUJZFIXMHCWCY-HNNXBMFYSA-N 1 2 349.475 3.407 20 30 EGEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC000191120731 455447655 /nfs/dbraw/zinc/44/76/55/455447655.db2.gz MGNWHAKVZBBCGJ-CYBMUJFWSA-N 1 2 344.411 3.097 20 30 EGEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC000191120731 455447659 /nfs/dbraw/zinc/44/76/59/455447659.db2.gz MGNWHAKVZBBCGJ-CYBMUJFWSA-N 1 2 344.411 3.097 20 30 EGEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000266860708 455463946 /nfs/dbraw/zinc/46/39/46/455463946.db2.gz JQQYXDLXCZWIHQ-GOSISDBHSA-N 1 2 339.826 3.275 20 30 EGEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000266860708 455463951 /nfs/dbraw/zinc/46/39/51/455463951.db2.gz JQQYXDLXCZWIHQ-GOSISDBHSA-N 1 2 339.826 3.275 20 30 EGEDLO CCS[C@H]1CCCC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246616664 455512664 /nfs/dbraw/zinc/51/26/64/455512664.db2.gz YNTVHZJICMCNPQ-DLBZAZTESA-N 1 2 332.469 3.380 20 30 EGEDLO CCS[C@H]1CCCC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246616664 455512667 /nfs/dbraw/zinc/51/26/67/455512667.db2.gz YNTVHZJICMCNPQ-DLBZAZTESA-N 1 2 332.469 3.380 20 30 EGEDLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1ccc(C#N)s1 ZINC000160944086 455516645 /nfs/dbraw/zinc/51/66/45/455516645.db2.gz KIQKMEHFUSFLDF-UHFFFAOYSA-N 1 2 349.843 3.352 20 30 EGEDLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)s1 ZINC000160944086 455516647 /nfs/dbraw/zinc/51/66/47/455516647.db2.gz KIQKMEHFUSFLDF-UHFFFAOYSA-N 1 2 349.843 3.352 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c(C#N)c1C ZINC000267356220 455545990 /nfs/dbraw/zinc/54/59/90/455545990.db2.gz HHHKWQHRPAUDFP-OAHLLOKOSA-N 1 2 328.441 3.340 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c(C#N)c1C ZINC000267356220 455545994 /nfs/dbraw/zinc/54/59/94/455545994.db2.gz HHHKWQHRPAUDFP-OAHLLOKOSA-N 1 2 328.441 3.340 20 30 EGEDLO C[N@H+](Cc1ccccc1F)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182592975 455549439 /nfs/dbraw/zinc/54/94/39/455549439.db2.gz UMTLONATDWQLLD-IBGZPJMESA-N 1 2 337.398 3.325 20 30 EGEDLO C[N@@H+](Cc1ccccc1F)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182592975 455549441 /nfs/dbraw/zinc/54/94/41/455549441.db2.gz UMTLONATDWQLLD-IBGZPJMESA-N 1 2 337.398 3.325 20 30 EGEDLO C=CCNc1ncc(C(=O)N(C)CCCc2[nH+]ccn2CCC)s1 ZINC000192388866 455605477 /nfs/dbraw/zinc/60/54/77/455605477.db2.gz JUULYVAOOADMIB-UHFFFAOYSA-N 1 2 347.488 3.052 20 30 EGEDLO Cn1c[nH+]cc1CCC(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000192493695 455631129 /nfs/dbraw/zinc/63/11/29/455631129.db2.gz RZPLPOURWYUDIE-UHFFFAOYSA-N 1 2 329.403 3.391 20 30 EGEDLO Cc1ccc2[nH+]c(COc3ccccc3C(=O)N(C)CCC#N)cn2c1 ZINC000192513571 455634535 /nfs/dbraw/zinc/63/45/35/455634535.db2.gz DAVLITHDPVFBNP-UHFFFAOYSA-N 1 2 348.406 3.207 20 30 EGEDLO CC[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@@H](C)O1 ZINC000247749395 455643150 /nfs/dbraw/zinc/64/31/50/455643150.db2.gz YSZTYVPIUWNSBD-IEBWSBKVSA-N 1 2 343.471 3.049 20 30 EGEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@@H](C)O1 ZINC000247749395 455643154 /nfs/dbraw/zinc/64/31/54/455643154.db2.gz YSZTYVPIUWNSBD-IEBWSBKVSA-N 1 2 343.471 3.049 20 30 EGEDLO COc1cc(C#N)ccc1C[NH+]1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000292400523 455651231 /nfs/dbraw/zinc/65/12/31/455651231.db2.gz TVJGOCUSASZHTJ-GJZGRUSLSA-N 1 2 343.471 3.034 20 30 EGEDLO COc1cccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c1F ZINC000192933549 455720330 /nfs/dbraw/zinc/72/03/30/455720330.db2.gz HYTDWTSZDDLAHZ-SFHVURJKSA-N 1 2 339.414 3.217 20 30 EGEDLO Cc1nc(N(C)Cc2[nH+]ccn2CC(F)(F)F)c(Cl)cc1C#N ZINC000292664576 455726240 /nfs/dbraw/zinc/72/62/40/455726240.db2.gz QCNSFNCVYOZXDM-UHFFFAOYSA-N 1 2 343.740 3.310 20 30 EGEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000249050365 455742615 /nfs/dbraw/zinc/74/26/15/455742615.db2.gz IRRWCLHWITUIFK-IEBWSBKVSA-N 1 2 343.471 3.049 20 30 EGEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000249050365 455742619 /nfs/dbraw/zinc/74/26/19/455742619.db2.gz IRRWCLHWITUIFK-IEBWSBKVSA-N 1 2 343.471 3.049 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)CCc1c[nH+]cn1C ZINC000193206675 455746224 /nfs/dbraw/zinc/74/62/24/455746224.db2.gz HVSJWRPTWPGQSX-CYBMUJFWSA-N 1 2 328.441 3.386 20 30 EGEDLO CC(C)[N@@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)C1COC1 ZINC000295311555 455846562 /nfs/dbraw/zinc/84/65/62/455846562.db2.gz FZTSPXZKWYVLHU-CQSZACIVSA-N 1 2 347.484 3.129 20 30 EGEDLO CC(C)[N@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)C1COC1 ZINC000295311555 455846566 /nfs/dbraw/zinc/84/65/66/455846566.db2.gz FZTSPXZKWYVLHU-CQSZACIVSA-N 1 2 347.484 3.129 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000269574573 455849213 /nfs/dbraw/zinc/84/92/13/455849213.db2.gz CAOXBBDWSNPAAI-UHFFFAOYSA-N 1 2 338.249 3.181 20 30 EGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000269659406 455851511 /nfs/dbraw/zinc/85/15/11/455851511.db2.gz PPBURZBSKIJIDY-GFCCVEGCSA-N 1 2 345.244 3.498 20 30 EGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000269659406 455851517 /nfs/dbraw/zinc/85/15/17/455851517.db2.gz PPBURZBSKIJIDY-GFCCVEGCSA-N 1 2 345.244 3.498 20 30 EGEDLO N#Cc1ccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000278995277 455855138 /nfs/dbraw/zinc/85/51/38/455855138.db2.gz RIUBREFIDAZMKB-UHFFFAOYSA-N 1 2 334.423 3.111 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F)OCC ZINC000270042969 455863189 /nfs/dbraw/zinc/86/31/89/455863189.db2.gz OYPMRSWQKTVGBQ-AEFFLSMTSA-N 1 2 345.418 3.136 20 30 EGEDLO CC(C)c1nnc([C@@H]2C[N@@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)o1 ZINC000279926402 455877584 /nfs/dbraw/zinc/87/75/84/455877584.db2.gz FSDJFJTYOZDWTL-BBRMVZONSA-N 1 2 326.400 3.199 20 30 EGEDLO CC(C)c1nnc([C@@H]2C[N@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)o1 ZINC000279926402 455877591 /nfs/dbraw/zinc/87/75/91/455877591.db2.gz FSDJFJTYOZDWTL-BBRMVZONSA-N 1 2 326.400 3.199 20 30 EGEDLO N#Cc1ccc(C[N@@H+](CC(=O)Nc2ccc(F)cc2F)C2CC2)cc1 ZINC000194966702 455907379 /nfs/dbraw/zinc/90/73/79/455907379.db2.gz NVUVIBCDCPUBEI-UHFFFAOYSA-N 1 2 341.361 3.440 20 30 EGEDLO N#Cc1ccc(C[N@H+](CC(=O)Nc2ccc(F)cc2F)C2CC2)cc1 ZINC000194966702 455907381 /nfs/dbraw/zinc/90/73/81/455907381.db2.gz NVUVIBCDCPUBEI-UHFFFAOYSA-N 1 2 341.361 3.440 20 30 EGEDLO CCCCCCCS(=O)(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000195073491 455919187 /nfs/dbraw/zinc/91/91/87/455919187.db2.gz JLXNOSDNVFJGKS-UHFFFAOYSA-N 1 2 339.505 3.072 20 30 EGEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)Nc2ccc(F)c(C#N)c2)CC1(C)C ZINC000296411766 455930622 /nfs/dbraw/zinc/93/06/22/455930622.db2.gz HPLVUFIQJHCKIR-CQSZACIVSA-N 1 2 327.363 3.046 20 30 EGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCc1cccc(C#N)c1 ZINC000280325343 455947815 /nfs/dbraw/zinc/94/78/15/455947815.db2.gz FAFIJCQEDCCAFY-QGZVFWFLSA-N 1 2 337.427 3.211 20 30 EGEDLO Cc1oc(C#N)cc1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000280512456 455986443 /nfs/dbraw/zinc/98/64/43/455986443.db2.gz CZYHTGWEDISCCI-LLVKDONJSA-N 1 2 344.440 3.400 20 30 EGEDLO Cc1oc(C#N)cc1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000280512456 455986449 /nfs/dbraw/zinc/98/64/49/455986449.db2.gz CZYHTGWEDISCCI-LLVKDONJSA-N 1 2 344.440 3.400 20 30 EGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1CC(=O)Nc1sccc1C#N ZINC000280714500 456037288 /nfs/dbraw/zinc/03/72/88/456037288.db2.gz BOCCQBISKWNFTM-CQSZACIVSA-N 1 2 343.456 3.002 20 30 EGEDLO C=C(CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1 ZINC000287247198 456064930 /nfs/dbraw/zinc/06/49/30/456064930.db2.gz WLMDZYGCCLTPPB-UHFFFAOYSA-N 1 2 336.439 3.194 20 30 EGEDLO COc1cc(C#N)ccc1C[N@H+](C)Cc1c(C)nc2sccn12 ZINC000270981344 456085258 /nfs/dbraw/zinc/08/52/58/456085258.db2.gz CKAOCYUENKRHCJ-UHFFFAOYSA-N 1 2 326.425 3.217 20 30 EGEDLO COc1cc(C#N)ccc1C[N@@H+](C)Cc1c(C)nc2sccn12 ZINC000270981344 456085263 /nfs/dbraw/zinc/08/52/63/456085263.db2.gz CKAOCYUENKRHCJ-UHFFFAOYSA-N 1 2 326.425 3.217 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)s1 ZINC000271109070 456128890 /nfs/dbraw/zinc/12/88/90/456128890.db2.gz AEHZZJVKJBKRTH-UHFFFAOYSA-N 1 2 334.448 3.490 20 30 EGEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000281202012 456163492 /nfs/dbraw/zinc/16/34/92/456163492.db2.gz YFNQKMLWOYHIKK-NVXWUHKLSA-N 1 2 340.427 3.190 20 30 EGEDLO Cn1c(C[NH+]2CCC(C)(C#N)CC2)nnc1-c1ccc(Cl)cc1 ZINC000274471948 456258778 /nfs/dbraw/zinc/25/87/78/456258778.db2.gz KEPJUKXTYDWSRQ-UHFFFAOYSA-N 1 2 329.835 3.261 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000352807183 456324926 /nfs/dbraw/zinc/32/49/26/456324926.db2.gz WLVCPKCGIPCCQQ-INIZCTEOSA-N 1 2 348.487 3.330 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000352807183 456324931 /nfs/dbraw/zinc/32/49/31/456324931.db2.gz WLVCPKCGIPCCQQ-INIZCTEOSA-N 1 2 348.487 3.330 20 30 EGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000298086238 456361282 /nfs/dbraw/zinc/36/12/82/456361282.db2.gz IITPXEBDZOTCHJ-HNNXBMFYSA-N 1 2 339.464 3.442 20 30 EGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000298086238 456361284 /nfs/dbraw/zinc/36/12/84/456361284.db2.gz IITPXEBDZOTCHJ-HNNXBMFYSA-N 1 2 339.464 3.442 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000352921961 456414498 /nfs/dbraw/zinc/41/44/98/456414498.db2.gz MQRPZSUKBNHEBZ-OAHLLOKOSA-N 1 2 329.448 3.407 20 30 EGEDLO Cc1oc(C#N)cc1C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000298337370 456429469 /nfs/dbraw/zinc/42/94/69/456429469.db2.gz KJPNLDONWBQNTE-UHFFFAOYSA-N 1 2 334.379 3.383 20 30 EGEDLO C#CCC1(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)CCCCC1 ZINC000276337594 456450281 /nfs/dbraw/zinc/45/02/81/456450281.db2.gz UKEKVBLOPRSUCW-UHFFFAOYSA-N 1 2 341.377 3.378 20 30 EGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)CC1(CS(C)(=O)=O)CC1 ZINC000348073876 456457235 /nfs/dbraw/zinc/45/72/35/456457235.db2.gz NXVZRUWQPPNSPU-UHFFFAOYSA-N 1 2 333.906 3.214 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)CC1(CS(C)(=O)=O)CC1 ZINC000348073876 456457240 /nfs/dbraw/zinc/45/72/40/456457240.db2.gz NXVZRUWQPPNSPU-UHFFFAOYSA-N 1 2 333.906 3.214 20 30 EGEDLO N#Cc1ccc(Cl)c(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000353052142 456463042 /nfs/dbraw/zinc/46/30/42/456463042.db2.gz JBICURJGKATLKX-UHFFFAOYSA-N 1 2 336.782 3.327 20 30 EGEDLO Cn1cc[nH+]c1[C@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000343280229 456504594 /nfs/dbraw/zinc/50/45/94/456504594.db2.gz FDAIODFHDHUHJB-QGZVFWFLSA-N 1 2 348.366 3.311 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2Br)C[C@@H](C2CC2)O1 ZINC000348205138 456537179 /nfs/dbraw/zinc/53/71/79/456537179.db2.gz IXWZYPMIJTVKKU-BZNIZROVSA-N 1 2 335.245 3.320 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)C[C@@H](C2CC2)O1 ZINC000348205138 456537186 /nfs/dbraw/zinc/53/71/86/456537186.db2.gz IXWZYPMIJTVKKU-BZNIZROVSA-N 1 2 335.245 3.320 20 30 EGEDLO CC[C@@H](Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1)c1ccc(C#N)cc1 ZINC000291226888 456571865 /nfs/dbraw/zinc/57/18/65/456571865.db2.gz PJAHNEUZHMVDGT-HXUWFJFHSA-N 1 2 348.450 3.053 20 30 EGEDLO CC[C@@H](Nc1cccc(C[N@H+]2CCNC(=O)C2)c1)c1ccc(C#N)cc1 ZINC000291226888 456571868 /nfs/dbraw/zinc/57/18/68/456571868.db2.gz PJAHNEUZHMVDGT-HXUWFJFHSA-N 1 2 348.450 3.053 20 30 EGEDLO Cc1cc(-c2noc([C@@H](C)[NH2+]Cc3cc(C#N)n(C)c3)n2)ccc1F ZINC000276813872 456588609 /nfs/dbraw/zinc/58/86/09/456588609.db2.gz YCXCOWHGXXFUHQ-GFCCVEGCSA-N 1 2 339.374 3.245 20 30 EGEDLO CSc1ccccc1C[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000348307313 456611342 /nfs/dbraw/zinc/61/13/42/456611342.db2.gz OGQTYCZKQWNPHB-UHFFFAOYSA-N 1 2 331.485 3.183 20 30 EGEDLO CSc1ccccc1C[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000348307313 456611347 /nfs/dbraw/zinc/61/13/47/456611347.db2.gz OGQTYCZKQWNPHB-UHFFFAOYSA-N 1 2 331.485 3.183 20 30 EGEDLO N#CCC[N@H+](Cc1ccco1)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283058340 456700975 /nfs/dbraw/zinc/70/09/75/456700975.db2.gz JJQVOUDGGNWBNU-KRWDZBQOSA-N 1 2 337.423 3.158 20 30 EGEDLO N#CCC[N@@H+](Cc1ccco1)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283058340 456700981 /nfs/dbraw/zinc/70/09/81/456700981.db2.gz JJQVOUDGGNWBNU-KRWDZBQOSA-N 1 2 337.423 3.158 20 30 EGEDLO COc1ccccc1C[NH+]1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000343553141 456701806 /nfs/dbraw/zinc/70/18/06/456701806.db2.gz PCDPDHGEJWOXHP-UHFFFAOYSA-N 1 2 335.451 3.079 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNC([O-])=[NH+][C@@H]1CCc3c1cccc3F)CCC2 ZINC000328651463 456729803 /nfs/dbraw/zinc/72/98/03/456729803.db2.gz JUFGNXUCLVRXTK-SUMWQHHRSA-N 1 2 342.418 3.399 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N[C@@H]1CCc3c1cccc3F)CCC2 ZINC000328651463 456729807 /nfs/dbraw/zinc/72/98/07/456729807.db2.gz JUFGNXUCLVRXTK-SUMWQHHRSA-N 1 2 342.418 3.399 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1cn3c(n1)CCCC3)C2 ZINC000328703082 456741152 /nfs/dbraw/zinc/74/11/52/456741152.db2.gz JYFCZGHXZGZPGF-ZDUSSCGKSA-N 1 2 341.459 3.033 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CCCOc3ccccc32)C1 ZINC000328791010 456761555 /nfs/dbraw/zinc/76/15/55/456761555.db2.gz QOZVEEVVHYLWAZ-GDBMZVCRSA-N 1 2 340.427 3.037 20 30 EGEDLO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1cc(C#N)ccc1F ZINC000338318979 456767781 /nfs/dbraw/zinc/76/77/81/456767781.db2.gz GCSPOAOIQGHWGF-UHFFFAOYSA-N 1 2 345.443 3.206 20 30 EGEDLO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1cc(C#N)ccc1F ZINC000338318979 456767788 /nfs/dbraw/zinc/76/77/88/456767788.db2.gz GCSPOAOIQGHWGF-UHFFFAOYSA-N 1 2 345.443 3.206 20 30 EGEDLO Cc1ccc(C(C)(C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)cn1 ZINC000353569243 456769327 /nfs/dbraw/zinc/76/93/27/456769327.db2.gz KRXGLUYYGJSJKT-UHFFFAOYSA-N 1 2 333.395 3.337 20 30 EGEDLO Cn1ncc(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c1C1CC1 ZINC000328880389 456783007 /nfs/dbraw/zinc/78/30/07/456783007.db2.gz LUSKOWQQANRCPQ-ZDUSSCGKSA-N 1 2 341.459 3.111 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1ncoc1C1CC1)C2 ZINC000328882261 456783427 /nfs/dbraw/zinc/78/34/27/456783427.db2.gz WYSJSCLPYZMKHH-LBPRGKRZSA-N 1 2 328.416 3.366 20 30 EGEDLO CC(C)(C)[C@@H]1C[C@H](NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CCO1 ZINC000328927930 456794331 /nfs/dbraw/zinc/79/43/31/456794331.db2.gz GEGBRZDFVHBGJD-KFWWJZLASA-N 1 2 334.464 3.444 20 30 EGEDLO C=CCC(C)(C)c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000291954789 456810861 /nfs/dbraw/zinc/81/08/61/456810861.db2.gz RHCOKJBUFHACRZ-MRXNPFEDSA-N 1 2 327.428 3.497 20 30 EGEDLO C=CCC(C)(C)c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000291954789 456810868 /nfs/dbraw/zinc/81/08/68/456810868.db2.gz RHCOKJBUFHACRZ-MRXNPFEDSA-N 1 2 327.428 3.497 20 30 EGEDLO N#CCc1ccc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000341234895 456824475 /nfs/dbraw/zinc/82/44/75/456824475.db2.gz FSSLSEUXNLCQIY-UHFFFAOYSA-N 1 2 336.439 3.282 20 30 EGEDLO Cc1noc([C@@H]2CC[N@H+](CC(=O)Nc3c(C)cccc3Cl)C2)n1 ZINC000329061381 456825347 /nfs/dbraw/zinc/82/53/47/456825347.db2.gz UURZLDCYMQGVIW-GFCCVEGCSA-N 1 2 334.807 3.417 20 30 EGEDLO Cc1noc([C@@H]2CC[N@@H+](CC(=O)Nc3c(C)cccc3Cl)C2)n1 ZINC000329061381 456825354 /nfs/dbraw/zinc/82/53/54/456825354.db2.gz UURZLDCYMQGVIW-GFCCVEGCSA-N 1 2 334.807 3.417 20 30 EGEDLO Cc1noc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3Cl)C2)n1 ZINC000329064095 456825431 /nfs/dbraw/zinc/82/54/31/456825431.db2.gz VPKMAZPSTWTIND-ZYHUDNBSSA-N 1 2 334.807 3.497 20 30 EGEDLO Cc1noc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3Cl)C2)n1 ZINC000329064095 456825439 /nfs/dbraw/zinc/82/54/39/456825439.db2.gz VPKMAZPSTWTIND-ZYHUDNBSSA-N 1 2 334.807 3.497 20 30 EGEDLO CC(C)(C)C1=CC[N@H+](CCNC(=O)[C@H]2CCCc3[nH]ncc32)CC1 ZINC000329095994 456833497 /nfs/dbraw/zinc/83/34/97/456833497.db2.gz LAHDLWNHPLXVOI-HNNXBMFYSA-N 1 2 330.476 3.464 20 30 EGEDLO CC(C)(C)C1=CC[N@@H+](CCNC(=O)[C@H]2CCCc3[nH]ncc32)CC1 ZINC000329095994 456833502 /nfs/dbraw/zinc/83/35/02/456833502.db2.gz LAHDLWNHPLXVOI-HNNXBMFYSA-N 1 2 330.476 3.464 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CC2(C1)CCCCC2)C1CCOCC1 ZINC000329321565 456871475 /nfs/dbraw/zinc/87/14/75/456871475.db2.gz JFKFULOGRDJUHH-MRXNPFEDSA-N 1 2 346.475 3.068 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N[C@@H]3CCCC[C@@H]3C)C2)[nH]1 ZINC000329452548 456892746 /nfs/dbraw/zinc/89/27/46/456892746.db2.gz NIZOXERUUBQOFF-SJXGUFTOSA-N 1 2 333.480 3.216 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)C(=O)N[C@@H]3CCCC[C@@H]3C)C2)[nH]1 ZINC000329452548 456892748 /nfs/dbraw/zinc/89/27/48/456892748.db2.gz NIZOXERUUBQOFF-SJXGUFTOSA-N 1 2 333.480 3.216 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N[C@@H]3CCCC[C@@H]3C)C2)n1 ZINC000329452548 456892753 /nfs/dbraw/zinc/89/27/53/456892753.db2.gz NIZOXERUUBQOFF-SJXGUFTOSA-N 1 2 333.480 3.216 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@H](C)C(=O)N[C@@H]3CCCC[C@@H]3C)C2)n1 ZINC000329452548 456892756 /nfs/dbraw/zinc/89/27/56/456892756.db2.gz NIZOXERUUBQOFF-SJXGUFTOSA-N 1 2 333.480 3.216 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@H+]([C@H](C)C(=O)N[C@@H]3CCCC[C@@H]3C)C2)n[nH]1 ZINC000329452548 456892765 /nfs/dbraw/zinc/89/27/65/456892765.db2.gz NIZOXERUUBQOFF-SJXGUFTOSA-N 1 2 333.480 3.216 20 30 EGEDLO O=C(Nc1cnc2c(c1)CCCC2)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329466376 456894810 /nfs/dbraw/zinc/89/48/10/456894810.db2.gz RYNUKBIBPPICTP-UHFFFAOYSA-N 1 2 325.416 3.109 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@H]1C1CCC1)C1CCOCC1 ZINC000329489588 456898718 /nfs/dbraw/zinc/89/87/18/456898718.db2.gz SERPNOXGJSIQHD-DLBZAZTESA-N 1 2 346.475 3.066 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NCc3ccc(C)cc3)C2)[nH]1 ZINC000329491187 456899671 /nfs/dbraw/zinc/89/96/71/456899671.db2.gz VIDTYDKJTKNAKR-WMLDXEAASA-N 1 2 341.459 3.146 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)NCc3ccc(C)cc3)C2)[nH]1 ZINC000329491187 456899675 /nfs/dbraw/zinc/89/96/75/456899675.db2.gz VIDTYDKJTKNAKR-WMLDXEAASA-N 1 2 341.459 3.146 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NCc3ccc(C)cc3)C2)n1 ZINC000329491187 456899679 /nfs/dbraw/zinc/89/96/79/456899679.db2.gz VIDTYDKJTKNAKR-WMLDXEAASA-N 1 2 341.459 3.146 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@@H](C)C(=O)NCc3ccc(C)cc3)C2)n1 ZINC000329491187 456899683 /nfs/dbraw/zinc/89/96/83/456899683.db2.gz VIDTYDKJTKNAKR-WMLDXEAASA-N 1 2 341.459 3.146 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NCc3ccc(C)cc3)C2)n[nH]1 ZINC000329491187 456899688 /nfs/dbraw/zinc/89/96/88/456899688.db2.gz VIDTYDKJTKNAKR-WMLDXEAASA-N 1 2 341.459 3.146 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)NCc3ccc(C)cc3)C2)n[nH]1 ZINC000329491187 456899692 /nfs/dbraw/zinc/89/96/92/456899692.db2.gz VIDTYDKJTKNAKR-WMLDXEAASA-N 1 2 341.459 3.146 20 30 EGEDLO CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329576672 456910829 /nfs/dbraw/zinc/91/08/29/456910829.db2.gz SJWNTGQYHBVPOO-OWCLPIDISA-N 1 2 348.491 3.344 20 30 EGEDLO Cc1cc(NC(=O)N(C)C[C@H]2CCCO2)c[nH+]c1N1CCCC[C@H]1C ZINC000329589213 456912834 /nfs/dbraw/zinc/91/28/34/456912834.db2.gz SOQMXVZWKJPQCU-NVXWUHKLSA-N 1 2 346.475 3.425 20 30 EGEDLO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccon2)ccc1Cl ZINC000349240214 456921142 /nfs/dbraw/zinc/92/11/42/456921142.db2.gz LWVVYIVWLOYPFI-CYBMUJFWSA-N 1 2 346.818 3.234 20 30 EGEDLO O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)[C@H]1CCCSC1 ZINC000329719782 456931294 /nfs/dbraw/zinc/93/12/94/456931294.db2.gz AHCYDWUHBJNJET-LBPRGKRZSA-N 1 2 346.456 3.131 20 30 EGEDLO C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329757729 456936910 /nfs/dbraw/zinc/93/69/10/456936910.db2.gz ZOALANURBIQMNV-YVEFUNNKSA-N 1 2 326.400 3.025 20 30 EGEDLO C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329757729 456936912 /nfs/dbraw/zinc/93/69/12/456936912.db2.gz ZOALANURBIQMNV-YVEFUNNKSA-N 1 2 326.400 3.025 20 30 EGEDLO CCC[C@H](NC(=O)C[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1)c1ccccc1 ZINC000329926302 456962545 /nfs/dbraw/zinc/96/25/45/456962545.db2.gz WBLNTPOZAXHIAO-XKGZKEIXSA-N 1 2 346.471 3.364 20 30 EGEDLO CCC[C@H](NC(=O)C[N@H+]1CCO[C@]2(CCO[C@H]2C)C1)c1ccccc1 ZINC000329926302 456962547 /nfs/dbraw/zinc/96/25/47/456962547.db2.gz WBLNTPOZAXHIAO-XKGZKEIXSA-N 1 2 346.471 3.364 20 30 EGEDLO Cc1cccc2c1OCC[C@H]2NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329938010 456963850 /nfs/dbraw/zinc/96/38/50/456963850.db2.gz ABZDHZALEIFJFD-GDBMZVCRSA-N 1 2 340.427 3.335 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000341837890 456965734 /nfs/dbraw/zinc/96/57/34/456965734.db2.gz XHIOASGNYXFSCL-UHFFFAOYSA-N 1 2 345.464 3.287 20 30 EGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000341837890 456965738 /nfs/dbraw/zinc/96/57/38/456965738.db2.gz XHIOASGNYXFSCL-UHFFFAOYSA-N 1 2 345.464 3.287 20 30 EGEDLO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000330144472 456992267 /nfs/dbraw/zinc/99/22/67/456992267.db2.gz ZPSWVXVGWGOPGQ-GJYPPUQNSA-N 1 2 332.444 3.241 20 30 EGEDLO Cc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000330144472 456992268 /nfs/dbraw/zinc/99/22/68/456992268.db2.gz ZPSWVXVGWGOPGQ-GJYPPUQNSA-N 1 2 332.444 3.241 20 30 EGEDLO CN(CC12CC3CC(CC(C3)C1)C2)C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330199717 457000859 /nfs/dbraw/zinc/00/08/59/457000859.db2.gz VUFPXXDLMOTTRF-FAKMSMKASA-N 1 2 342.487 3.260 20 30 EGEDLO O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000330240530 457010444 /nfs/dbraw/zinc/01/04/44/457010444.db2.gz BNKYAEHXHPGPQB-LZLYRXPVSA-N 1 2 325.412 3.180 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H](C)C1CCOCC1 ZINC000330276419 457019944 /nfs/dbraw/zinc/01/99/44/457019944.db2.gz MWRUPDCPXNDDRJ-HOCLYGCPSA-N 1 2 334.464 3.159 20 30 EGEDLO CC(C)(CCC#N)CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000349699269 457020983 /nfs/dbraw/zinc/02/09/83/457020983.db2.gz WRJWOSUQWXKWHM-UHFFFAOYSA-N 1 2 339.443 3.061 20 30 EGEDLO CC(C)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)C1 ZINC000330282612 457021064 /nfs/dbraw/zinc/02/10/64/457021064.db2.gz ARUQEXVEVQWLJQ-KYHPRHEASA-N 1 2 348.491 3.359 20 30 EGEDLO CC[C@H](NC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC)[C@H]1CCCO1 ZINC000330312478 457025868 /nfs/dbraw/zinc/02/58/68/457025868.db2.gz WKTMSUNOGQLMDP-ARFHVFGLSA-N 1 2 334.464 3.302 20 30 EGEDLO Cc1ccc(NC(=O)NC(=O)C[N@H+](CCC#N)CC(C)(C)C)cc1C ZINC000346269707 457026895 /nfs/dbraw/zinc/02/68/95/457026895.db2.gz LXNWGCRPZPJQNN-UHFFFAOYSA-N 1 2 344.459 3.213 20 30 EGEDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+](CCC#N)CC(C)(C)C)cc1C ZINC000346269707 457026901 /nfs/dbraw/zinc/02/69/01/457026901.db2.gz LXNWGCRPZPJQNN-UHFFFAOYSA-N 1 2 344.459 3.213 20 30 EGEDLO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330327449 457027989 /nfs/dbraw/zinc/02/79/89/457027989.db2.gz KXZTUUVYYBUTLH-MUQADHOPSA-N 1 2 348.491 3.359 20 30 EGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@H]2Cc3ccccc3S2)CCO1 ZINC000330329648 457028946 /nfs/dbraw/zinc/02/89/46/457028946.db2.gz MSOWTQCVLDSFIG-KMFMINBZSA-N 1 2 343.452 3.314 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2coc(-c3c(F)cccc3F)n2)CC1 ZINC000341974250 457034750 /nfs/dbraw/zinc/03/47/50/457034750.db2.gz HYZASOBWKKVCFQ-UHFFFAOYSA-N 1 2 347.365 3.372 20 30 EGEDLO C=C1CC[NH+](CC(=O)Nc2nc3ccc(OCC)cc3s2)CC1 ZINC000341987565 457043865 /nfs/dbraw/zinc/04/38/65/457043865.db2.gz YLXFZBGVQCFWNU-UHFFFAOYSA-N 1 2 331.441 3.286 20 30 EGEDLO COC1CC[NH+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000341991097 457046265 /nfs/dbraw/zinc/04/62/65/457046265.db2.gz ZPNCNLLQWCQRPV-CQSZACIVSA-N 1 2 347.484 3.130 20 30 EGEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000342032717 457069655 /nfs/dbraw/zinc/06/96/55/457069655.db2.gz YRMUGTDCFBODOB-CQSZACIVSA-N 1 2 346.390 3.032 20 30 EGEDLO N#CC1(F)CCN(C(=O)CCn2c3ccccc3[nH+]c2C2CC2)CC1 ZINC000359358569 457076487 /nfs/dbraw/zinc/07/64/87/457076487.db2.gz IRWYWYILDFPGSQ-UHFFFAOYSA-N 1 2 340.402 3.158 20 30 EGEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000331506687 457197061 /nfs/dbraw/zinc/19/70/61/457197061.db2.gz QOTHIRCCDBQWFL-HOSYDEDBSA-N 1 2 332.404 3.044 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1c1nc(-c2ccc(C)[nH+]c2N2CCCC2)no1 ZINC000351077097 457220223 /nfs/dbraw/zinc/22/02/23/457220223.db2.gz LJPLSYOGPBFEGG-HIFRSBDPSA-N 1 2 326.400 3.099 20 30 EGEDLO Cn1c(C[NH2+][C@H]2CCC[C@H]2C#N)nc2ccc(Br)cc21 ZINC000331801962 457254036 /nfs/dbraw/zinc/25/40/36/457254036.db2.gz SFFBZYAWQCYGFM-JQWIXIFHSA-N 1 2 333.233 3.118 20 30 EGEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000347226822 457299233 /nfs/dbraw/zinc/29/92/33/457299233.db2.gz ATWHQGLFUJASSA-LJQANCHMSA-N 1 2 349.434 3.194 20 30 EGEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000347226822 457299240 /nfs/dbraw/zinc/29/92/40/457299240.db2.gz ATWHQGLFUJASSA-LJQANCHMSA-N 1 2 349.434 3.194 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000354831166 457322098 /nfs/dbraw/zinc/32/20/98/457322098.db2.gz OETSESDSDBCCBC-ILXRZTDVSA-N 1 2 331.435 3.141 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000354831166 457322101 /nfs/dbraw/zinc/32/21/01/457322101.db2.gz OETSESDSDBCCBC-ILXRZTDVSA-N 1 2 331.435 3.141 20 30 EGEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc2c(cc1Br)OCCO2 ZINC000332188501 457323876 /nfs/dbraw/zinc/32/38/76/457323876.db2.gz YNVAKKFKDGKJFM-GWCFXTLKSA-N 1 2 337.217 3.002 20 30 EGEDLO Cc1ncccc1C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000352365581 457357939 /nfs/dbraw/zinc/35/79/39/457357939.db2.gz UGQGNBUTIZYWHJ-IBGZPJMESA-N 1 2 340.858 3.426 20 30 EGEDLO Cc1cc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)on1 ZINC000352365824 457357960 /nfs/dbraw/zinc/35/79/60/457357960.db2.gz XNGWFIYUQOKTQC-KRWDZBQOSA-N 1 2 330.819 3.019 20 30 EGEDLO C=Cn1cc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cn1 ZINC000355329749 457358041 /nfs/dbraw/zinc/35/80/41/457358041.db2.gz JYCFYGRSDBWDQI-GOSISDBHSA-N 1 2 341.846 3.019 20 30 EGEDLO CC(C)(C#N)c1ccc(NC(=O)NC[C@@H]2CCCn3cc[nH+]c32)cc1 ZINC000378218575 457382814 /nfs/dbraw/zinc/38/28/14/457382814.db2.gz HGJGMSMNSNQHLF-AWEZNQCLSA-N 1 2 337.427 3.383 20 30 EGEDLO C=CCN(CCc1ccco1)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000378525597 457407340 /nfs/dbraw/zinc/40/73/40/457407340.db2.gz YVNHGCVKLOCKSG-INIZCTEOSA-N 1 2 342.443 3.102 20 30 EGEDLO C[C@@H]1[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CCOC1(C)C ZINC000357316431 457441246 /nfs/dbraw/zinc/44/12/46/457441246.db2.gz NLBPOVQCWFNYRB-AWEZNQCLSA-N 1 2 349.862 3.086 20 30 EGEDLO C[C@@H]1[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CCOC1(C)C ZINC000357316431 457441250 /nfs/dbraw/zinc/44/12/50/457441250.db2.gz NLBPOVQCWFNYRB-AWEZNQCLSA-N 1 2 349.862 3.086 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCS(=O)(=O)c1ccccc1 ZINC000425530400 457586846 /nfs/dbraw/zinc/58/68/46/457586846.db2.gz FHTDXLKDBBECOU-HNNXBMFYSA-N 1 2 328.437 3.025 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCS(=O)(=O)c1ccccc1 ZINC000425530400 457586851 /nfs/dbraw/zinc/58/68/51/457586851.db2.gz FHTDXLKDBBECOU-HNNXBMFYSA-N 1 2 328.437 3.025 20 30 EGEDLO COc1ccc(F)cc1C[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000361148336 457613681 /nfs/dbraw/zinc/61/36/81/457613681.db2.gz DDNOLOMTVKXBGL-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO C=CC[N@@H+](Cc1cc(C(=O)OC)c(C)n1C)Cc1ccccc1F ZINC000361176306 457630776 /nfs/dbraw/zinc/63/07/76/457630776.db2.gz ITLHKZKKTPADIT-UHFFFAOYSA-N 1 2 330.403 3.447 20 30 EGEDLO C=CC[N@H+](Cc1cc(C(=O)OC)c(C)n1C)Cc1ccccc1F ZINC000361176306 457630780 /nfs/dbraw/zinc/63/07/80/457630780.db2.gz ITLHKZKKTPADIT-UHFFFAOYSA-N 1 2 330.403 3.447 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC[N@@H+](Cc2nc(C)c(C)o2)CC1 ZINC000370450833 457650392 /nfs/dbraw/zinc/65/03/92/457650392.db2.gz WHMRZDCOSHOFAP-UHFFFAOYSA-N 1 2 331.460 3.094 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC[N@H+](Cc2nc(C)c(C)o2)CC1 ZINC000370450833 457650397 /nfs/dbraw/zinc/65/03/97/457650397.db2.gz WHMRZDCOSHOFAP-UHFFFAOYSA-N 1 2 331.460 3.094 20 30 EGEDLO C=C(C)C[N@@H+]1CCOC[C@H]1c1c(C)nn(Cc2ccccc2)c1C ZINC000374830049 457715147 /nfs/dbraw/zinc/71/51/47/457715147.db2.gz WSYCKPIOHBMTIX-IBGZPJMESA-N 1 2 325.456 3.498 20 30 EGEDLO C=C(C)C[N@H+]1CCOC[C@H]1c1c(C)nn(Cc2ccccc2)c1C ZINC000374830049 457715148 /nfs/dbraw/zinc/71/51/48/457715148.db2.gz WSYCKPIOHBMTIX-IBGZPJMESA-N 1 2 325.456 3.498 20 30 EGEDLO N#CC1(CC[NH+]2CCN(C(=O)c3cccs3)CC2)CCCCC1 ZINC000411134710 457810432 /nfs/dbraw/zinc/81/04/32/457810432.db2.gz JWVUHQMLLHYDEG-UHFFFAOYSA-N 1 2 331.485 3.370 20 30 EGEDLO C=CC[N@H+](Cc1cccs1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000411140826 457810761 /nfs/dbraw/zinc/81/07/61/457810761.db2.gz UTGJTJFYEPYVFR-HNNXBMFYSA-N 1 2 343.477 3.475 20 30 EGEDLO C=CC[N@@H+](Cc1cccs1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000411140826 457810766 /nfs/dbraw/zinc/81/07/66/457810766.db2.gz UTGJTJFYEPYVFR-HNNXBMFYSA-N 1 2 343.477 3.475 20 30 EGEDLO C=CC[N@@H+](CCOC)Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000361636905 457811299 /nfs/dbraw/zinc/81/12/99/457811299.db2.gz JAARKKJUWPZLLV-UHFFFAOYSA-N 1 2 341.242 3.209 20 30 EGEDLO C=CC[N@H+](CCOC)Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000361636905 457811302 /nfs/dbraw/zinc/81/13/02/457811302.db2.gz JAARKKJUWPZLLV-UHFFFAOYSA-N 1 2 341.242 3.209 20 30 EGEDLO COc1ccc(C[N@@H+]2CCC[C@H]2c2ncc[nH]2)cc1OCCCC#N ZINC000375352906 457893767 /nfs/dbraw/zinc/89/37/67/457893767.db2.gz NCEABQZIMFMOQJ-INIZCTEOSA-N 1 2 340.427 3.438 20 30 EGEDLO COc1ccc(C[N@H+]2CCC[C@H]2c2ncc[nH]2)cc1OCCCC#N ZINC000375352906 457893772 /nfs/dbraw/zinc/89/37/72/457893772.db2.gz NCEABQZIMFMOQJ-INIZCTEOSA-N 1 2 340.427 3.438 20 30 EGEDLO C#CCCOc1ccc(C[N@H+]2CCOC[C@H]2c2c(C)n[nH]c2C)cc1 ZINC000367449855 457955610 /nfs/dbraw/zinc/95/56/10/457955610.db2.gz YPMSJFYQARXWDG-IBGZPJMESA-N 1 2 339.439 3.002 20 30 EGEDLO C#CCCOc1ccc(C[N@@H+]2CCOC[C@H]2c2c(C)n[nH]c2C)cc1 ZINC000367449855 457955613 /nfs/dbraw/zinc/95/56/13/457955613.db2.gz YPMSJFYQARXWDG-IBGZPJMESA-N 1 2 339.439 3.002 20 30 EGEDLO C#CC[C@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000375749167 458047549 /nfs/dbraw/zinc/04/75/49/458047549.db2.gz MRSAPURZUUUJRJ-MOPGFXCFSA-N 1 2 335.407 3.009 20 30 EGEDLO C=C(C)[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(F)c(F)c1 ZINC000358651517 458128871 /nfs/dbraw/zinc/12/88/71/458128871.db2.gz NDRFNUNWXMALNY-GUYCJALGSA-N 1 2 331.366 3.157 20 30 EGEDLO C=CCSc1ccccc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000362389124 458146946 /nfs/dbraw/zinc/14/69/46/458146946.db2.gz MHQJMFOFNDEUDF-UHFFFAOYSA-N 1 2 339.464 3.322 20 30 EGEDLO Cc1nc2ccccc2nc1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000376211618 458235534 /nfs/dbraw/zinc/23/55/34/458235534.db2.gz QPNFIJMKSZEQOI-OAQYLSRUSA-N 1 2 344.418 3.383 20 30 EGEDLO Cc1nc2ccccc2nc1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000376211618 458235540 /nfs/dbraw/zinc/23/55/40/458235540.db2.gz QPNFIJMKSZEQOI-OAQYLSRUSA-N 1 2 344.418 3.383 20 30 EGEDLO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1C[C@H](C#N)CCC#N ZINC000428991703 458248178 /nfs/dbraw/zinc/24/81/78/458248178.db2.gz ITRDLXRHAMETIP-KBPBESRZSA-N 1 2 334.826 3.433 20 30 EGEDLO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1C[C@H](C#N)CCC#N ZINC000428991703 458248182 /nfs/dbraw/zinc/24/81/82/458248182.db2.gz ITRDLXRHAMETIP-KBPBESRZSA-N 1 2 334.826 3.433 20 30 EGEDLO CC[C@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H](C)O1 ZINC000447043583 458258062 /nfs/dbraw/zinc/25/80/62/458258062.db2.gz BNIQRSPLEJUSBR-HIFRSBDPSA-N 1 2 327.346 3.436 20 30 EGEDLO CC[C@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H](C)O1 ZINC000447043583 458258066 /nfs/dbraw/zinc/25/80/66/458258066.db2.gz BNIQRSPLEJUSBR-HIFRSBDPSA-N 1 2 327.346 3.436 20 30 EGEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(Nc2ccccc2)cc1 ZINC000414133824 458315421 /nfs/dbraw/zinc/31/54/21/458315421.db2.gz DAYYHVLNVGGSNL-GOSISDBHSA-N 1 2 325.412 3.015 20 30 EGEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(Nc2ccccc2)cc1 ZINC000414133824 458315425 /nfs/dbraw/zinc/31/54/25/458315425.db2.gz DAYYHVLNVGGSNL-GOSISDBHSA-N 1 2 325.412 3.015 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000376511030 458323716 /nfs/dbraw/zinc/32/37/16/458323716.db2.gz IYMUNYVRNLVISV-ZDUSSCGKSA-N 1 2 345.244 3.423 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000376511030 458323723 /nfs/dbraw/zinc/32/37/23/458323723.db2.gz IYMUNYVRNLVISV-ZDUSSCGKSA-N 1 2 345.244 3.423 20 30 EGEDLO CCOC(=O)CC(C)(C)CC[N@@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000376541195 458332683 /nfs/dbraw/zinc/33/26/83/458332683.db2.gz NHSBHQNAOYPPGJ-LPHOPBHVSA-N 1 2 336.476 3.283 20 30 EGEDLO CCOC(=O)CC(C)(C)CC[N@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000376541195 458332689 /nfs/dbraw/zinc/33/26/89/458332689.db2.gz NHSBHQNAOYPPGJ-LPHOPBHVSA-N 1 2 336.476 3.283 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447830487 458349977 /nfs/dbraw/zinc/34/99/77/458349977.db2.gz VHZDGJNVDGORFP-MLGOLLRUSA-N 1 2 349.862 3.286 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447830487 458349980 /nfs/dbraw/zinc/34/99/80/458349980.db2.gz VHZDGJNVDGORFP-MLGOLLRUSA-N 1 2 349.862 3.286 20 30 EGEDLO C=CC[N@@H+](Cc1cc2ccccc2c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000449015639 458418060 /nfs/dbraw/zinc/41/80/60/458418060.db2.gz LGHPFUJKGITHTO-KRWDZBQOSA-N 1 2 345.464 3.024 20 30 EGEDLO C=CC[N@H+](Cc1cc2ccccc2c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000449015639 458418065 /nfs/dbraw/zinc/41/80/65/458418065.db2.gz LGHPFUJKGITHTO-KRWDZBQOSA-N 1 2 345.464 3.024 20 30 EGEDLO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCO[C@H]3CCC[C@H]32)cc1 ZINC000430276394 458433157 /nfs/dbraw/zinc/43/31/57/458433157.db2.gz KAEOWIJFLJVXKY-CVEARBPZSA-N 1 2 325.330 3.190 20 30 EGEDLO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCO[C@H]3CCC[C@H]32)cc1 ZINC000430276394 458433161 /nfs/dbraw/zinc/43/31/61/458433161.db2.gz KAEOWIJFLJVXKY-CVEARBPZSA-N 1 2 325.330 3.190 20 30 EGEDLO C=CCC1(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CCCC1 ZINC000450171773 458441703 /nfs/dbraw/zinc/44/17/03/458441703.db2.gz JDJFLCZQVIKXGZ-UHFFFAOYSA-N 1 2 329.444 3.302 20 30 EGEDLO CC[N@@H+]1CC[C@@H](Nc2nccc(C#N)n2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000450444360 458449138 /nfs/dbraw/zinc/44/91/38/458449138.db2.gz XGOQAGHXJZVPPU-GDBMZVCRSA-N 1 2 347.344 3.013 20 30 EGEDLO CC[N@H+]1CC[C@@H](Nc2nccc(C#N)n2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000450444360 458449141 /nfs/dbraw/zinc/44/91/41/458449141.db2.gz XGOQAGHXJZVPPU-GDBMZVCRSA-N 1 2 347.344 3.013 20 30 EGEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@H]2Cc2ccccc2)C1=O ZINC000437823508 458498822 /nfs/dbraw/zinc/49/88/22/458498822.db2.gz OWIMGLILSFIUEB-DLBZAZTESA-N 1 2 337.448 3.042 20 30 EGEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@H]2Cc2ccccc2)C1=O ZINC000437823508 458498826 /nfs/dbraw/zinc/49/88/26/458498826.db2.gz OWIMGLILSFIUEB-DLBZAZTESA-N 1 2 337.448 3.042 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000437842722 458501981 /nfs/dbraw/zinc/50/19/81/458501981.db2.gz PVMIDNCQDZYNGS-UZLBHIALSA-N 1 2 348.462 3.260 20 30 EGEDLO C=CC[N@H+](Cc1ccn(C)c1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000438279393 458555544 /nfs/dbraw/zinc/55/55/44/458555544.db2.gz IMSPJEPLDOBCNJ-LJQANCHMSA-N 1 2 326.440 3.188 20 30 EGEDLO C=CC[N@@H+](Cc1ccn(C)c1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000438279393 458555549 /nfs/dbraw/zinc/55/55/49/458555549.db2.gz IMSPJEPLDOBCNJ-LJQANCHMSA-N 1 2 326.440 3.188 20 30 EGEDLO C=C(C)CCNC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000454601726 458568323 /nfs/dbraw/zinc/56/83/23/458568323.db2.gz FXZFMFHKELFMQP-UHFFFAOYSA-N 1 2 326.444 3.281 20 30 EGEDLO C=CCn1cc(C[NH2+]Cc2cc(F)ccc2N(C)C[C@H](C)CC)nn1 ZINC000424171683 458575900 /nfs/dbraw/zinc/57/59/00/458575900.db2.gz MQGWCAWRGLJJLP-OAHLLOKOSA-N 1 2 345.466 3.375 20 30 EGEDLO C=CCn1cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2OC)nn1 ZINC000424174814 458577536 /nfs/dbraw/zinc/57/75/36/458577536.db2.gz SISOZIBFQIXUKQ-UHFFFAOYSA-N 1 2 327.215 3.069 20 30 EGEDLO CC#CCC[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000462318028 458611033 /nfs/dbraw/zinc/61/10/33/458611033.db2.gz OISLGDRIXIIHHI-UHFFFAOYSA-N 1 2 331.769 3.289 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)CCCCOc2cccc(C#N)c2)c2[nH+]ccn21 ZINC000456360075 458646552 /nfs/dbraw/zinc/64/65/52/458646552.db2.gz DCFDHUVRMFKPQO-RHSMWYFYSA-N 1 2 338.411 3.126 20 30 EGEDLO C=CCC(C)(C)CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000432089540 458676589 /nfs/dbraw/zinc/67/65/89/458676589.db2.gz JMZDYWGQGAYUTO-UHFFFAOYSA-N 1 2 330.407 3.413 20 30 EGEDLO C[C@H](NC(=O)C[NH+]1CCC(F)(C#N)CC1)c1ccc2ccccc2c1 ZINC000510922176 458776075 /nfs/dbraw/zinc/77/60/75/458776075.db2.gz SUFDKPZDYHKJJW-HNNXBMFYSA-N 1 2 339.414 3.345 20 30 EGEDLO C=C(C)[C@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)c(F)c1 ZINC000547952633 458814128 /nfs/dbraw/zinc/81/41/28/458814128.db2.gz APBZCHZVBXFKBL-DYVFJYSZSA-N 1 2 346.381 3.093 20 30 EGEDLO Cc1cnc(N2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)s1 ZINC000440496743 458819403 /nfs/dbraw/zinc/81/94/03/458819403.db2.gz PVGTYVIKOHFDEI-UHFFFAOYSA-N 1 2 331.872 3.279 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000555878850 458916061 /nfs/dbraw/zinc/91/60/61/458916061.db2.gz OHTCAVISTWQKSU-OAHLLOKOSA-N 1 2 332.407 3.070 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC=C(c2ccccn2)C1 ZINC000555878850 458916066 /nfs/dbraw/zinc/91/60/66/458916066.db2.gz OHTCAVISTWQKSU-OAHLLOKOSA-N 1 2 332.407 3.070 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000566428165 458929903 /nfs/dbraw/zinc/92/99/03/458929903.db2.gz CNZFBSMFETUJSE-KBPBESRZSA-N 1 2 330.457 3.301 20 30 EGEDLO COc1cc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)ccc1C#N ZINC000442801742 459039144 /nfs/dbraw/zinc/03/91/44/459039144.db2.gz QHFYQUUTNHNWFJ-VMPITWQZSA-N 1 2 347.462 3.398 20 30 EGEDLO COc1cc(CN(C)Cc2[nH+]ccn2Cc2ccccc2)ccc1C#N ZINC000442882368 459051879 /nfs/dbraw/zinc/05/18/79/459051879.db2.gz QYFGUMMQHKPPSN-UHFFFAOYSA-N 1 2 346.434 3.444 20 30 EGEDLO COc1cc(C[N@H+](C)Cc2nccn2Cc2ccccc2)ccc1C#N ZINC000442882368 459051882 /nfs/dbraw/zinc/05/18/82/459051882.db2.gz QYFGUMMQHKPPSN-UHFFFAOYSA-N 1 2 346.434 3.444 20 30 EGEDLO COc1cc(C[N@@H+](C)Cc2nccn2Cc2ccccc2)ccc1C#N ZINC000442882368 459051890 /nfs/dbraw/zinc/05/18/90/459051890.db2.gz QYFGUMMQHKPPSN-UHFFFAOYSA-N 1 2 346.434 3.444 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)[C@@H]2C1 ZINC000496075743 459056183 /nfs/dbraw/zinc/05/61/83/459056183.db2.gz ICXBZWHHYZFTSM-RHSMWYFYSA-N 1 2 345.418 3.139 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)[C@@H]2C1 ZINC000496075743 459056187 /nfs/dbraw/zinc/05/61/87/459056187.db2.gz ICXBZWHHYZFTSM-RHSMWYFYSA-N 1 2 345.418 3.139 20 30 EGEDLO Cc1ccc(C[NH2+]C[C@H](C#N)CCC#N)c(OC[C@@H]2CCCO2)c1 ZINC000567207660 459063091 /nfs/dbraw/zinc/06/30/91/459063091.db2.gz NNOAHTQMBPWGLD-WMZOPIPTSA-N 1 2 327.428 3.086 20 30 EGEDLO C=CCC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)c1ccccc1 ZINC000532516154 459105203 /nfs/dbraw/zinc/10/52/03/459105203.db2.gz ILJHERWWAYXBSP-MRXNPFEDSA-N 1 2 333.395 3.100 20 30 EGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000532573302 459112000 /nfs/dbraw/zinc/11/20/00/459112000.db2.gz YELKJWIHEYQERU-TUAOUCFPSA-N 1 2 349.525 3.261 20 30 EGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000532573302 459112007 /nfs/dbraw/zinc/11/20/07/459112007.db2.gz YELKJWIHEYQERU-TUAOUCFPSA-N 1 2 349.525 3.261 20 30 EGEDLO N#Cc1ccccc1-c1ccccc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000590377785 459122788 /nfs/dbraw/zinc/12/27/88/459122788.db2.gz XUGFRVKPWILGKM-UHFFFAOYSA-N 1 2 328.375 3.147 20 30 EGEDLO N#Cc1ccccc1-c1ccccc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000590377785 459122795 /nfs/dbraw/zinc/12/27/95/459122795.db2.gz XUGFRVKPWILGKM-UHFFFAOYSA-N 1 2 328.375 3.147 20 30 EGEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc2nc(C(C)(C)C)sc2c1 ZINC000521996281 459201657 /nfs/dbraw/zinc/20/16/57/459201657.db2.gz RDRUUASBKFBQOU-CQSZACIVSA-N 1 2 346.500 3.212 20 30 EGEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc2nc(C(C)(C)C)sc2c1 ZINC000521996281 459201663 /nfs/dbraw/zinc/20/16/63/459201663.db2.gz RDRUUASBKFBQOU-CQSZACIVSA-N 1 2 346.500 3.212 20 30 EGEDLO CC(C)(C)Oc1ccc(NC(=O)CCCn2cc[nH+]c2)cc1C#N ZINC000590773341 459212053 /nfs/dbraw/zinc/21/20/53/459212053.db2.gz RNYMWUWSKUFBEJ-UHFFFAOYSA-N 1 2 326.400 3.351 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c2[nH+]ccn21 ZINC000580995142 459266205 /nfs/dbraw/zinc/26/62/05/459266205.db2.gz KQDLVULICMPXFC-BGTYHANMSA-N 1 2 349.438 3.370 20 30 EGEDLO C=CCOC[C@H]([NH2+][C@H]1C[C@H](c2ccccc2)C[C@H](C)C1)C(=O)OC ZINC000482459033 459309656 /nfs/dbraw/zinc/30/96/56/459309656.db2.gz YQQQOJMBGZESBY-AITUJVMLSA-N 1 2 331.456 3.293 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(C4CC4)no3)CC2)c(Cl)c1 ZINC000595466674 459312769 /nfs/dbraw/zinc/31/27/69/459312769.db2.gz RJAVGDMXPNEAGD-UHFFFAOYSA-N 1 2 342.830 3.399 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000568744202 459337045 /nfs/dbraw/zinc/33/70/45/459337045.db2.gz NFPFZFHEQQKSNN-KRWDZBQOSA-N 1 2 331.803 3.174 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(CC#N)cc1)c1ccccc1 ZINC000535337605 459356283 /nfs/dbraw/zinc/35/62/83/459356283.db2.gz XHXOAHUPZPJAPZ-SFHVURJKSA-N 1 2 330.391 3.006 20 30 EGEDLO C=CCOc1cccc(C[N@H+](CC(=O)OC)Cc2ccccc2)c1 ZINC000536642231 459361486 /nfs/dbraw/zinc/36/14/86/459361486.db2.gz TYQYZWCMDUHBCW-UHFFFAOYSA-N 1 2 325.408 3.427 20 30 EGEDLO C=CCOc1cccc(C[N@@H+](CC(=O)OC)Cc2ccccc2)c1 ZINC000536642231 459361492 /nfs/dbraw/zinc/36/14/92/459361492.db2.gz TYQYZWCMDUHBCW-UHFFFAOYSA-N 1 2 325.408 3.427 20 30 EGEDLO CC#CCCNC(=O)N1CC[NH+]([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000483424951 459368435 /nfs/dbraw/zinc/36/84/35/459368435.db2.gz WDCWALZAMPOVSD-SFHVURJKSA-N 1 2 349.425 3.157 20 30 EGEDLO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595616527 459369720 /nfs/dbraw/zinc/36/97/20/459369720.db2.gz RMRMBGRROZSJIE-VXGBXAGGSA-N 1 2 346.431 3.388 20 30 EGEDLO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595616527 459369727 /nfs/dbraw/zinc/36/97/27/459369727.db2.gz RMRMBGRROZSJIE-VXGBXAGGSA-N 1 2 346.431 3.388 20 30 EGEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000560697993 459387683 /nfs/dbraw/zinc/38/76/83/459387683.db2.gz JMMFWZCXMQUGPT-SNVBAGLBSA-N 1 2 339.317 3.484 20 30 EGEDLO C=CC[C@H](C(=O)NCC1CC[NH+](CC(F)F)CC1)c1ccccc1 ZINC000569237028 459419654 /nfs/dbraw/zinc/41/96/54/459419654.db2.gz AAKPOMIAOARJQD-KRWDZBQOSA-N 1 2 336.426 3.440 20 30 EGEDLO CC[C@H](C(=O)Nc1ccc(Cl)cc1CC#N)[N@@H+]1CCO[C@@H](CC)C1 ZINC000583094904 459482137 /nfs/dbraw/zinc/48/21/37/459482137.db2.gz YJBVCLUYXOOKHH-DOTOQJQBSA-N 1 2 349.862 3.234 20 30 EGEDLO CC[C@H](C(=O)Nc1ccc(Cl)cc1CC#N)[N@H+]1CCO[C@@H](CC)C1 ZINC000583094904 459482140 /nfs/dbraw/zinc/48/21/40/459482140.db2.gz YJBVCLUYXOOKHH-DOTOQJQBSA-N 1 2 349.862 3.234 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[C@H](C#N)c3ccccn3)cc2)C[C@H](C)O1 ZINC000561975161 459498784 /nfs/dbraw/zinc/49/87/84/459498784.db2.gz JSNZYXNYJDIKBQ-JTDSTZFVSA-N 1 2 349.434 3.181 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccc(C(=O)[C@H](C#N)c3ccccn3)cc2)C[C@H](C)O1 ZINC000561975161 459498787 /nfs/dbraw/zinc/49/87/87/459498787.db2.gz JSNZYXNYJDIKBQ-JTDSTZFVSA-N 1 2 349.434 3.181 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149636 459538288 /nfs/dbraw/zinc/53/82/88/459538288.db2.gz SPSIJFPYKSKFMM-IERDGZPVSA-N 1 2 349.434 3.031 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149636 459538292 /nfs/dbraw/zinc/53/82/92/459538292.db2.gz SPSIJFPYKSKFMM-IERDGZPVSA-N 1 2 349.434 3.031 20 30 EGEDLO C=CCn1cccc1C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000488952128 459557219 /nfs/dbraw/zinc/55/72/19/459557219.db2.gz UDNKVCSEBFZIQR-UHFFFAOYSA-N 1 2 339.439 3.067 20 30 EGEDLO N#CCOc1ccc(/C=C\C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC000491166764 459601628 /nfs/dbraw/zinc/60/16/28/459601628.db2.gz GXDPRLNLTQDDSZ-YFHOEESVSA-N 1 2 344.374 3.427 20 30 EGEDLO C#C[C@H](NC(=O)CCn1c(C)[nH+]c2ccccc21)c1ccc(F)cc1 ZINC000491231911 459608261 /nfs/dbraw/zinc/60/82/61/459608261.db2.gz WSOJBQCYDKEQQN-KRWDZBQOSA-N 1 2 335.382 3.365 20 30 EGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000562654881 459612614 /nfs/dbraw/zinc/61/26/14/459612614.db2.gz BSIVPYVZNFFARH-IRXDYDNUSA-N 1 2 325.412 3.064 20 30 EGEDLO C#CC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1 ZINC000491515719 459633055 /nfs/dbraw/zinc/63/30/55/459633055.db2.gz PGQIMMLWEZLCNI-UHFFFAOYSA-N 1 2 328.375 3.244 20 30 EGEDLO C#CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1 ZINC000491515719 459633062 /nfs/dbraw/zinc/63/30/62/459633062.db2.gz PGQIMMLWEZLCNI-UHFFFAOYSA-N 1 2 328.375 3.244 20 30 EGEDLO C#CC[N@H+](Cc1cnc(C2OCCO2)s1)[C@@H]1CCc2ccccc21 ZINC000491619949 459639695 /nfs/dbraw/zinc/63/96/95/459639695.db2.gz GHGTZFPBUOVPFZ-QGZVFWFLSA-N 1 2 340.448 3.311 20 30 EGEDLO C#CC[N@@H+](Cc1cnc(C2OCCO2)s1)[C@@H]1CCc2ccccc21 ZINC000491619949 459639700 /nfs/dbraw/zinc/63/97/00/459639700.db2.gz GHGTZFPBUOVPFZ-QGZVFWFLSA-N 1 2 340.448 3.311 20 30 EGEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000584218181 459683510 /nfs/dbraw/zinc/68/35/10/459683510.db2.gz ZFXAFXVAJABANZ-CYBMUJFWSA-N 1 2 339.361 3.155 20 30 EGEDLO CCC(C#N)(CC)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000527649285 459684456 /nfs/dbraw/zinc/68/44/56/459684456.db2.gz MLRZJZRNUGLXCN-FLIBITNWSA-N 1 2 325.456 3.174 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596591664 459687486 /nfs/dbraw/zinc/68/74/86/459687486.db2.gz JITATRXLQFCOFD-WBVHZDCISA-N 1 2 340.471 3.196 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596591664 459687488 /nfs/dbraw/zinc/68/74/88/459687488.db2.gz JITATRXLQFCOFD-WBVHZDCISA-N 1 2 340.471 3.196 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(C4CC4)cc3)CC2)cc1 ZINC000596658461 459718227 /nfs/dbraw/zinc/71/82/27/459718227.db2.gz IYULPISUPPBHOO-UHFFFAOYSA-N 1 2 345.446 3.394 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC000565550904 459785434 /nfs/dbraw/zinc/78/54/34/459785434.db2.gz VNTRATWTQOLXQQ-KRWDZBQOSA-N 1 2 331.435 3.036 20 30 EGEDLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](CCOc1ccccc1C#N)C2 ZINC000528590605 459810688 /nfs/dbraw/zinc/81/06/88/459810688.db2.gz FDWCNSIQTQFZIO-UHFFFAOYSA-N 1 2 336.439 3.083 20 30 EGEDLO CC(C)(C)c1ncc2c(n1)CC[N@H+](CCOc1ccccc1C#N)C2 ZINC000528590605 459810695 /nfs/dbraw/zinc/81/06/95/459810695.db2.gz FDWCNSIQTQFZIO-UHFFFAOYSA-N 1 2 336.439 3.083 20 30 EGEDLO CCC(C#N)(CC)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000529206648 459824784 /nfs/dbraw/zinc/82/47/84/459824784.db2.gz DQSWVJQATINALU-UHFFFAOYSA-N 1 2 328.460 3.255 20 30 EGEDLO Cc1nnc(C[N@@H+](C)Cc2cccc(OCc3ccccc3C#N)c2)o1 ZINC000597199481 459874432 /nfs/dbraw/zinc/87/44/32/459874432.db2.gz SPDRWLXGUJRYRJ-UHFFFAOYSA-N 1 2 348.406 3.461 20 30 EGEDLO Cc1nnc(C[N@H+](C)Cc2cccc(OCc3ccccc3C#N)c2)o1 ZINC000597199481 459874440 /nfs/dbraw/zinc/87/44/40/459874440.db2.gz SPDRWLXGUJRYRJ-UHFFFAOYSA-N 1 2 348.406 3.461 20 30 EGEDLO Cc1cc[nH+]c(NC2CCN(c3ccc(C#N)cn3)CC2)c1Cl ZINC000587820984 459894895 /nfs/dbraw/zinc/89/48/95/459894895.db2.gz NFROJJLMJSJKRZ-UHFFFAOYSA-N 1 2 327.819 3.391 20 30 EGEDLO CC[C@H](C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000593462509 459896776 /nfs/dbraw/zinc/89/67/76/459896776.db2.gz VLUWUBYVFUMJLE-IUODEOHRSA-N 1 2 337.826 3.109 20 30 EGEDLO CC[C@H](C#N)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000593462509 459896780 /nfs/dbraw/zinc/89/67/80/459896780.db2.gz VLUWUBYVFUMJLE-IUODEOHRSA-N 1 2 337.826 3.109 20 30 EGEDLO N#Cc1ccc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000609552377 459980868 /nfs/dbraw/zinc/98/08/68/459980868.db2.gz UADFWZIYUBVUFB-AWEZNQCLSA-N 1 2 329.791 3.277 20 30 EGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000609631503 460000079 /nfs/dbraw/zinc/00/00/79/460000079.db2.gz PEAHFHVBZGAWGI-DAXSKMNVSA-N 1 2 334.423 3.259 20 30 EGEDLO CC(C)(C#N)C[C@H](O)CNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000598727164 460007401 /nfs/dbraw/zinc/00/74/01/460007401.db2.gz ZXQQOBBMLBXLLQ-INIZCTEOSA-N 1 2 336.439 3.314 20 30 EGEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc(OCC(F)(F)F)nn1 ZINC000593960188 460027947 /nfs/dbraw/zinc/02/79/47/460027947.db2.gz OGABVHDJSXHDPS-UHFFFAOYSA-N 1 2 330.354 3.179 20 30 EGEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc(OCC(F)(F)F)nn1 ZINC000593960188 460027952 /nfs/dbraw/zinc/02/79/52/460027952.db2.gz OGABVHDJSXHDPS-UHFFFAOYSA-N 1 2 330.354 3.179 20 30 EGEDLO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3cccc(C#N)n3)n2)cc1 ZINC000602643794 460039753 /nfs/dbraw/zinc/03/97/53/460039753.db2.gz LCSILIBMELZIIS-ZDUSSCGKSA-N 1 2 333.395 3.416 20 30 EGEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3cccc(C#N)n3)n2)cc1 ZINC000602643793 460039769 /nfs/dbraw/zinc/03/97/69/460039769.db2.gz LCSILIBMELZIIS-CYBMUJFWSA-N 1 2 333.395 3.416 20 30 EGEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597942014 460120217 /nfs/dbraw/zinc/12/02/17/460120217.db2.gz VVYXEZLYWIVTOY-MRXNPFEDSA-N 1 2 348.450 3.048 20 30 EGEDLO C[C@@H](NC(=O)NCCCCNc1cccc[nH+]1)c1cccc(C#N)c1 ZINC000610356612 460132660 /nfs/dbraw/zinc/13/26/60/460132660.db2.gz WHKIPPGAVREDCA-OAHLLOKOSA-N 1 2 337.427 3.206 20 30 EGEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)C[C@@H]1n1cc[nH+]c1 ZINC000618848643 460195666 /nfs/dbraw/zinc/19/56/66/460195666.db2.gz KTESUAGKSXCRPV-ZMYBRWDISA-N 1 2 349.438 3.035 20 30 EGEDLO CCc1ccc(-c2nc(C[NH+]3CCN(CCC#N)CC3)cs2)cc1 ZINC000611174223 460301016 /nfs/dbraw/zinc/30/10/16/460301016.db2.gz BIKYLDCVZFYEIY-UHFFFAOYSA-N 1 2 340.496 3.404 20 30 EGEDLO Cc1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1F ZINC000611260271 460320875 /nfs/dbraw/zinc/32/08/75/460320875.db2.gz PCORKOAFJKUJCM-UHFFFAOYSA-N 1 2 340.402 3.193 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(OC(C)C)CC2)c1C#N ZINC000611347300 460341831 /nfs/dbraw/zinc/34/18/31/460341831.db2.gz WTYAQCSYVKFLRT-UHFFFAOYSA-N 1 2 338.455 3.442 20 30 EGEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(C#N)c1 ZINC000611387140 460350684 /nfs/dbraw/zinc/35/06/84/460350684.db2.gz ZQRNVYFHIPECKH-GFCCVEGCSA-N 1 2 349.350 3.367 20 30 EGEDLO Cc1cccn2cc(CCNC(=O)C[C@H](CC#N)c3ccccc3)[nH+]c12 ZINC000619438420 460356430 /nfs/dbraw/zinc/35/64/30/460356430.db2.gz QQBKCYQHFPOLRJ-SFHVURJKSA-N 1 2 346.434 3.389 20 30 EGEDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000611516870 460384059 /nfs/dbraw/zinc/38/40/59/460384059.db2.gz ZFHAQMIYBSDRDB-MAUKXSAKSA-N 1 2 330.432 3.130 20 30 EGEDLO Cc1nc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)sc1C ZINC000611550318 460396142 /nfs/dbraw/zinc/39/61/42/460396142.db2.gz CRMIQLJNGQWAKV-QGZVFWFLSA-N 1 2 344.459 3.282 20 30 EGEDLO N#Cc1ccccc1C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611550610 460396276 /nfs/dbraw/zinc/39/62/76/460396276.db2.gz HWOASJNEBPLRGZ-HXUWFJFHSA-N 1 2 334.398 3.080 20 30 EGEDLO CC[N@H+](CCCNC(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 ZINC000612097099 460538311 /nfs/dbraw/zinc/53/83/11/460538311.db2.gz DUWIUVKLZILUEZ-LJQANCHMSA-N 1 2 328.460 3.238 20 30 EGEDLO CC[N@@H+](CCCNC(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 ZINC000612097099 460538320 /nfs/dbraw/zinc/53/83/20/460538320.db2.gz DUWIUVKLZILUEZ-LJQANCHMSA-N 1 2 328.460 3.238 20 30 EGEDLO C=CCCn1cc(C[N@H+]2CCC[C@H]2c2ccc(OC)cc2OC)nn1 ZINC000653480370 461664662 /nfs/dbraw/zinc/66/46/62/461664662.db2.gz BIWDCSJVKBSPIN-SFHVURJKSA-N 1 2 342.443 3.209 20 30 EGEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2OC)nn1 ZINC000653480370 461664669 /nfs/dbraw/zinc/66/46/69/461664669.db2.gz BIWDCSJVKBSPIN-SFHVURJKSA-N 1 2 342.443 3.209 20 30 EGEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H]2c2ccc(OC)c(OC)c2)nn1 ZINC000653481535 461666174 /nfs/dbraw/zinc/66/61/74/461666174.db2.gz LLZVNWIHRPOULG-QGZVFWFLSA-N 1 2 342.443 3.209 20 30 EGEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(OC)c(OC)c2)nn1 ZINC000653481535 461666176 /nfs/dbraw/zinc/66/61/76/461666176.db2.gz LLZVNWIHRPOULG-QGZVFWFLSA-N 1 2 342.443 3.209 20 30 EGEDLO O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329421245 547497171 /nfs/dbraw/zinc/49/71/71/547497171.db2.gz FIVOVFWVTWSPSI-GOEBONIOSA-N 1 2 342.418 3.210 20 30 EGEDLO N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000333586893 547538453 /nfs/dbraw/zinc/53/84/53/547538453.db2.gz KSQOTVFZDGFTGT-GDLCADMTSA-N 1 2 338.238 3.381 20 30 EGEDLO COCC#CC[N@@H+]1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000684668491 550353495 /nfs/dbraw/zinc/35/34/95/550353495.db2.gz OSJOLOXNTQDYPF-OAHLLOKOSA-N 1 2 326.209 3.375 20 30 EGEDLO COCC#CC[N@H+]1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000684668491 550353498 /nfs/dbraw/zinc/35/34/98/550353498.db2.gz OSJOLOXNTQDYPF-OAHLLOKOSA-N 1 2 326.209 3.375 20 30 EGEDLO C[C@H]1CN(c2ccccc2C=[NH+]Nc2cnc3ccccc3n2)CCO1 ZINC000727256215 574656009 /nfs/dbraw/zinc/65/60/09/574656009.db2.gz MPKGJRJTJSRHSP-HNNXBMFYSA-N 1 2 347.422 3.301 20 30 EGEDLO C#CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H]1CCc2ccccc21 ZINC000728913112 574786051 /nfs/dbraw/zinc/78/60/51/574786051.db2.gz BCQSJJUHLXANMF-IBGZPJMESA-N 1 2 329.403 3.458 20 30 EGEDLO C#CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H]1CCc2ccccc21 ZINC000728913112 574786052 /nfs/dbraw/zinc/78/60/52/574786052.db2.gz BCQSJJUHLXANMF-IBGZPJMESA-N 1 2 329.403 3.458 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000730096117 574919298 /nfs/dbraw/zinc/91/92/98/574919298.db2.gz IACWKGXGQRVYDY-INIZCTEOSA-N 1 2 340.423 3.154 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000730096117 574919300 /nfs/dbraw/zinc/91/93/00/574919300.db2.gz IACWKGXGQRVYDY-INIZCTEOSA-N 1 2 340.423 3.154 20 30 EGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(-n2cncn2)cc1 ZINC000730147880 574925379 /nfs/dbraw/zinc/92/53/79/574925379.db2.gz VWNLNCMOMYPTSQ-UHFFFAOYSA-N 1 2 328.379 3.074 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc(-c2c(F)cccc2F)cs1 ZINC000730276912 574965283 /nfs/dbraw/zinc/96/52/83/574965283.db2.gz UIPDBGAWZUHYPX-AWEZNQCLSA-N 1 2 347.390 3.124 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc(-c2c(F)cccc2F)cs1 ZINC000730276912 574965284 /nfs/dbraw/zinc/96/52/84/574965284.db2.gz UIPDBGAWZUHYPX-AWEZNQCLSA-N 1 2 347.390 3.124 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000730591796 575003859 /nfs/dbraw/zinc/00/38/59/575003859.db2.gz JYYYERJZVNTHNA-YOEHRIQHSA-N 1 2 339.464 3.085 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000730591796 575003862 /nfs/dbraw/zinc/00/38/62/575003862.db2.gz JYYYERJZVNTHNA-YOEHRIQHSA-N 1 2 339.464 3.085 20 30 EGEDLO C=CCOc1ccc(C=CC(=O)Nc2cc[nH+]cc2CC)cc1OC ZINC000733874991 575405966 /nfs/dbraw/zinc/40/59/66/575405966.db2.gz NJIZEFRRDUSCTQ-CLFYSBASSA-N 1 2 338.407 3.291 20 30 EGEDLO CC[C@@H]1C[N@H+](CCC#N)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC000740888313 576634295 /nfs/dbraw/zinc/63/42/95/576634295.db2.gz PMPPLNRDNWPHPR-QZTJIDSGSA-N 1 2 329.444 3.412 20 30 EGEDLO CC[C@@H]1C[N@@H+](CCC#N)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC000740888313 576634297 /nfs/dbraw/zinc/63/42/97/576634297.db2.gz PMPPLNRDNWPHPR-QZTJIDSGSA-N 1 2 329.444 3.412 20 30 EGEDLO C=CCn1c(C)cc(C(=O)COC(=O)[C@H](C)[NH+]2CCCCCC2)c1C ZINC000741028271 576649146 /nfs/dbraw/zinc/64/91/46/576649146.db2.gz DYARZRHAQQFALM-KRWDZBQOSA-N 1 2 346.471 3.281 20 30 EGEDLO Cc1c(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)c(C#N)c2n1CCC2 ZINC000741466686 576688216 /nfs/dbraw/zinc/68/82/16/576688216.db2.gz AWVYDEVDROLQFG-FPLPWBNLSA-N 1 2 330.391 3.467 20 30 EGEDLO CC[C@@H](C)C[C@@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000742264920 576764471 /nfs/dbraw/zinc/76/44/71/576764471.db2.gz CIMCQNKMOBVDRE-ZIAGYGMSSA-N 1 2 340.471 3.471 20 30 EGEDLO C#CC[N@@H+](CC(=O)N(C)[C@@H]1CCCC[C@H]1C)Cc1ccc(F)cc1 ZINC000744206453 576823060 /nfs/dbraw/zinc/82/30/60/576823060.db2.gz MPXUESIZMQIHGB-VQIMIIECSA-N 1 2 330.447 3.298 20 30 EGEDLO C#CC[N@H+](CC(=O)N(C)[C@@H]1CCCC[C@H]1C)Cc1ccc(F)cc1 ZINC000744206453 576823061 /nfs/dbraw/zinc/82/30/61/576823061.db2.gz MPXUESIZMQIHGB-VQIMIIECSA-N 1 2 330.447 3.298 20 30 EGEDLO N#CCn1c(=O)c2ccccc2nc1C[N@H+](Cc1ccccc1)C1CC1 ZINC000744385712 576826896 /nfs/dbraw/zinc/82/68/96/576826896.db2.gz NJYRZLNGTACYGN-UHFFFAOYSA-N 1 2 344.418 3.085 20 30 EGEDLO N#CCn1c(=O)c2ccccc2nc1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000744385712 576826897 /nfs/dbraw/zinc/82/68/97/576826897.db2.gz NJYRZLNGTACYGN-UHFFFAOYSA-N 1 2 344.418 3.085 20 30 EGEDLO CC(=O)[C@@](C#N)(CC[N@@H+](C)Cc1c(C)noc1C)c1ccccc1 ZINC000877956815 1299667119 /nfs/dbraw/zinc/66/71/19/1299667119.db2.gz ZIUCWSWMAIKBEI-IBGZPJMESA-N 1 2 325.412 3.164 20 30 EGEDLO CC(=O)[C@@](C#N)(CC[N@H+](C)Cc1c(C)noc1C)c1ccccc1 ZINC000877956815 1299667123 /nfs/dbraw/zinc/66/71/23/1299667123.db2.gz ZIUCWSWMAIKBEI-IBGZPJMESA-N 1 2 325.412 3.164 20 30 EGEDLO CC(C)(C)N(Cc1ccccc1)C(=O)CO[NH+]=C(N)c1ccccc1 ZINC000020887399 1291195542 /nfs/dbraw/zinc/19/55/42/1291195542.db2.gz FWJBOHCSOSOOKJ-UHFFFAOYSA-N 1 2 339.439 3.151 20 30 EGEDLO CCc1cccc(C)c1NC(=O)CO[NH+]=C(N)Cc1ccccc1 ZINC000047255651 1291569773 /nfs/dbraw/zinc/56/97/73/1291569773.db2.gz XFVNICLPUMEUHO-UHFFFAOYSA-N 1 2 325.412 3.027 20 30 EGEDLO C#CC1CC[NH+]([C@@H](C)C(=O)Nc2c3ccccc3oc2C(C)=O)CC1 ZINC000830334153 1292707288 /nfs/dbraw/zinc/70/72/88/1292707288.db2.gz ZUCOAHKPIXGOJT-ZDUSSCGKSA-N 1 2 338.407 3.308 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2c[nH]nc2-c2ccccc2)c1 ZINC000092143187 1292854458 /nfs/dbraw/zinc/85/44/58/1292854458.db2.gz JFILJFPDRSLWHM-UHFFFAOYSA-N 1 2 344.418 3.129 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2c[nH]nc2-c2ccccc2)c1 ZINC000092143187 1292854472 /nfs/dbraw/zinc/85/44/72/1292854472.db2.gz JFILJFPDRSLWHM-UHFFFAOYSA-N 1 2 344.418 3.129 20 30 EGEDLO CN(C)C(=O)c1cccc(CO[NH+]=C(N)Cc2ccccc2Cl)c1 ZINC000105394124 1293032977 /nfs/dbraw/zinc/03/29/77/1293032977.db2.gz ZHNGZFZHTVUXEG-UHFFFAOYSA-N 1 2 345.830 3.073 20 30 EGEDLO NC(Cc1ccccc1)=[NH+]OCCOc1ccc(Br)cc1 ZINC000108443080 1293081501 /nfs/dbraw/zinc/08/15/01/1293081501.db2.gz DRGNXHJXHIOXHO-UHFFFAOYSA-N 1 2 349.228 3.359 20 30 EGEDLO COC(=O)c1cccc(N=NC(C)C[NH+]2Cc3ccccc3C2)c1F ZINC000835019384 1293189391 /nfs/dbraw/zinc/18/93/91/1293189391.db2.gz VUESGTFZXJSALQ-UHFFFAOYSA-N 1 2 341.386 3.416 20 30 EGEDLO NC(Cc1ccccc1)=[NH+]OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000132042256 1293706784 /nfs/dbraw/zinc/70/67/84/1293706784.db2.gz FOEJVPHVPJEHJV-UHFFFAOYSA-N 1 2 342.786 3.422 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2CC[C@@H](CC)C2)c1=S ZINC000162928259 1294325451 /nfs/dbraw/zinc/32/54/51/1294325451.db2.gz JEPIMQIQLNOJHQ-CQSZACIVSA-N 1 2 329.473 3.351 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2CC[C@@H](CC)C2)c1=S ZINC000162928259 1294325456 /nfs/dbraw/zinc/32/54/56/1294325456.db2.gz JEPIMQIQLNOJHQ-CQSZACIVSA-N 1 2 329.473 3.351 20 30 EGEDLO CC(C)(C)[C@@H](NC(=O)CO[NH+]=C(N)c1ccccc1)c1cccs1 ZINC000178150316 1294718196 /nfs/dbraw/zinc/71/81/96/1294718196.db2.gz RDWNHDBTBANGFI-INIZCTEOSA-N 1 2 345.468 3.289 20 30 EGEDLO C#C[C@H](CC)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000229899883 1296159769 /nfs/dbraw/zinc/15/97/69/1296159769.db2.gz YZEAIAICZBCDTM-SECBINFHSA-N 1 2 347.050 3.419 20 30 EGEDLO N#Cc1ccccc1/C=C\C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000255496295 1296538685 /nfs/dbraw/zinc/53/86/85/1296538685.db2.gz VQZGXUZHJUBCBD-YFHOEESVSA-N 1 2 347.418 3.042 20 30 EGEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccc(N2CCCC2=O)cc1 ZINC000255756282 1296566635 /nfs/dbraw/zinc/56/66/35/1296566635.db2.gz QXAOKSWAJBOPSX-KHPPLWFESA-N 1 2 331.375 3.357 20 30 EGEDLO COC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccc(Br)c1 ZINC000871924080 1296611982 /nfs/dbraw/zinc/61/19/82/1296611982.db2.gz CIVIOUXUDKCLSN-IUODEOHRSA-N 1 2 336.233 3.170 20 30 EGEDLO C=CCn1nnn(C[N@H+](Cc2cccc(C)c2)CC(C)C)c1=S ZINC000746053818 1298519373 /nfs/dbraw/zinc/51/93/73/1298519373.db2.gz NXXVAZXQIUJVCA-UHFFFAOYSA-N 1 2 331.489 3.419 20 30 EGEDLO C=CCn1nnn(C[N@@H+](Cc2cccc(C)c2)CC(C)C)c1=S ZINC000746053818 1298519382 /nfs/dbraw/zinc/51/93/82/1298519382.db2.gz NXXVAZXQIUJVCA-UHFFFAOYSA-N 1 2 331.489 3.419 20 30 EGEDLO C#CC[N@@H+](CC)CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1 ZINC000746456802 1298590191 /nfs/dbraw/zinc/59/01/91/1298590191.db2.gz KIECDRGJNYKXKN-IBGZPJMESA-N 1 2 349.434 3.221 20 30 EGEDLO C#CC[N@H+](CC)CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1 ZINC000746456802 1298590195 /nfs/dbraw/zinc/59/01/95/1298590195.db2.gz KIECDRGJNYKXKN-IBGZPJMESA-N 1 2 349.434 3.221 20 30 EGEDLO Cc1ccc([N+](=O)[O-])cc1N[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000747062505 1298719828 /nfs/dbraw/zinc/71/98/28/1298719828.db2.gz YVYNHEPJCHXZRR-UHFFFAOYSA-N 1 2 340.383 3.186 20 30 EGEDLO C=CCn1nnn(C[N@H+]2CCC[C@H](Cc3ccc(C)cc3)C2)c1=S ZINC000747797388 1298862057 /nfs/dbraw/zinc/86/20/57/1298862057.db2.gz ATIDNCHAFYFRGV-QGZVFWFLSA-N 1 2 343.500 3.216 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2CCC[C@H](Cc3ccc(C)cc3)C2)c1=S ZINC000747797388 1298862072 /nfs/dbraw/zinc/86/20/72/1298862072.db2.gz ATIDNCHAFYFRGV-QGZVFWFLSA-N 1 2 343.500 3.216 20 30 EGEDLO C[C@@H](CC1(C#N)CCOCC1)[NH2+]c1ccc(N2CCO[C@H](C)C2)cc1 ZINC000876866809 1299041437 /nfs/dbraw/zinc/04/14/37/1299041437.db2.gz XQYSCMXFWJVCBC-DLBZAZTESA-N 1 2 343.471 3.423 20 30 EGEDLO CCc1nocc1C[N@H+](C)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878654150 1300128089 /nfs/dbraw/zinc/12/80/89/1300128089.db2.gz OIGMAHCXACOTLH-IBGZPJMESA-N 1 2 325.412 3.109 20 30 EGEDLO CCc1nocc1C[N@@H+](C)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878654150 1300128097 /nfs/dbraw/zinc/12/80/97/1300128097.db2.gz OIGMAHCXACOTLH-IBGZPJMESA-N 1 2 325.412 3.109 20 30 EGEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc3ccc(Cl)cc3n2)CC1 ZINC000878678383 1300141198 /nfs/dbraw/zinc/14/11/98/1300141198.db2.gz VUYCMGCHPJDESW-UHFFFAOYSA-N 1 2 343.814 3.167 20 30 EGEDLO CC(=[NH+]O[C@H]1CCCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000755820486 1300402927 /nfs/dbraw/zinc/40/29/27/1300402927.db2.gz MRFYZLYIBQSSMM-KRWDZBQOSA-N 1 2 338.835 3.444 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cc(-c2ccccc2)ns1 ZINC000756549935 1300519704 /nfs/dbraw/zinc/51/97/04/1300519704.db2.gz BHHWGTHSNBJRND-HNNXBMFYSA-N 1 2 326.421 3.065 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cc(-c2ccccc2)ns1 ZINC000756549935 1300519712 /nfs/dbraw/zinc/51/97/12/1300519712.db2.gz BHHWGTHSNBJRND-HNNXBMFYSA-N 1 2 326.421 3.065 20 30 EGEDLO CC(C)CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000879761133 1300725715 /nfs/dbraw/zinc/72/57/15/1300725715.db2.gz WFZQNVKHIXUETO-UHFFFAOYSA-N 1 2 333.863 3.292 20 30 EGEDLO CC(C)CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000879761133 1300725719 /nfs/dbraw/zinc/72/57/19/1300725719.db2.gz WFZQNVKHIXUETO-UHFFFAOYSA-N 1 2 333.863 3.292 20 30 EGEDLO N#Cc1cccn(C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)c1=O ZINC000758197837 1300808946 /nfs/dbraw/zinc/80/89/46/1300808946.db2.gz LAVGLPGEZMVOLV-MRXNPFEDSA-N 1 2 327.815 3.038 20 30 EGEDLO N#Cc1cccn(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)c1=O ZINC000758197837 1300808962 /nfs/dbraw/zinc/80/89/62/1300808962.db2.gz LAVGLPGEZMVOLV-MRXNPFEDSA-N 1 2 327.815 3.038 20 30 EGEDLO COc1cc(F)cc(N[NH+]=Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000759210242 1301041892 /nfs/dbraw/zinc/04/18/92/1301041892.db2.gz PKEYBANQROMUDP-UHFFFAOYSA-N 1 2 347.365 3.256 20 30 EGEDLO COc1cc(F)cc(N[NH+]=Cc2ccc(N3CCOCC3)s2)c1 ZINC000759212488 1301043676 /nfs/dbraw/zinc/04/36/76/1301043676.db2.gz GXYNIPTWNITFHT-UHFFFAOYSA-N 1 2 335.404 3.178 20 30 EGEDLO C=CCc1cc(OCC)cc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)C)c1O ZINC000759755976 1301156671 /nfs/dbraw/zinc/15/66/71/1301156671.db2.gz SCSDVHVYTVTXJF-AWEZNQCLSA-N 1 2 335.444 3.291 20 30 EGEDLO C=CCc1cc(OCC)cc(C[N@H+](C)[C@@H](C)C(=O)OC(C)C)c1O ZINC000759755976 1301156665 /nfs/dbraw/zinc/15/66/65/1301156665.db2.gz SCSDVHVYTVTXJF-AWEZNQCLSA-N 1 2 335.444 3.291 20 30 EGEDLO COc1cccc(C#CCOC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000760991950 1301378313 /nfs/dbraw/zinc/37/83/13/1301378313.db2.gz CZVJSAZVFWNDFF-KRWDZBQOSA-N 1 2 349.430 3.037 20 30 EGEDLO COc1cccc(C#CCOC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000760991950 1301378326 /nfs/dbraw/zinc/37/83/26/1301378326.db2.gz CZVJSAZVFWNDFF-KRWDZBQOSA-N 1 2 349.430 3.037 20 30 EGEDLO C#CC[N@@H+](CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1)C1CC1 ZINC000763960489 1301989845 /nfs/dbraw/zinc/98/98/45/1301989845.db2.gz PZGWEBAJPKPQJH-FQEVSTJZSA-N 1 2 340.467 3.237 20 30 EGEDLO C#CC[N@H+](CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1)C1CC1 ZINC000763960489 1301989851 /nfs/dbraw/zinc/98/98/51/1301989851.db2.gz PZGWEBAJPKPQJH-FQEVSTJZSA-N 1 2 340.467 3.237 20 30 EGEDLO N#Cc1c2c(cn(C[N@@H+]3CCC[C@@H]3/C=C\c3ccccc3)c1=O)CCC2 ZINC000766633193 1302493627 /nfs/dbraw/zinc/49/36/27/1302493627.db2.gz QAIHLJGWESXMOJ-YAINUAMHSA-N 1 2 345.446 3.344 20 30 EGEDLO N#Cc1c2c(cn(C[N@H+]3CCC[C@@H]3/C=C\c3ccccc3)c1=O)CCC2 ZINC000766633193 1302493631 /nfs/dbraw/zinc/49/36/31/1302493631.db2.gz QAIHLJGWESXMOJ-YAINUAMHSA-N 1 2 345.446 3.344 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccccc2SCC#N)C1 ZINC000768129174 1302829253 /nfs/dbraw/zinc/82/92/53/1302829253.db2.gz OCTLUDWLOJPJKK-CQSZACIVSA-N 1 2 340.452 3.056 20 30 EGEDLO CCC(CC)C(=O)N1CC[NH+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000768337896 1302881930 /nfs/dbraw/zinc/88/19/30/1302881930.db2.gz IXJAIBHWYPNJNC-MRXNPFEDSA-N 1 2 343.471 3.058 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cccc3c2OC(C)(C)C3)c1 ZINC000768916121 1303012370 /nfs/dbraw/zinc/01/23/70/1303012370.db2.gz RXQNDDIVPCFUBU-UHFFFAOYSA-N 1 2 348.446 3.452 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cccc3c2OC(C)(C)C3)c1 ZINC000768916121 1303012372 /nfs/dbraw/zinc/01/23/72/1303012372.db2.gz RXQNDDIVPCFUBU-UHFFFAOYSA-N 1 2 348.446 3.452 20 30 EGEDLO C[NH+]1CCN(c2ccc(/C=C/C(=O)c3ccc(O)c(F)c3)cc2)CC1 ZINC000771526807 1303417523 /nfs/dbraw/zinc/41/75/23/1303417523.db2.gz KXRJLNTYVMZFPT-XBXARRHUSA-N 1 2 340.398 3.179 20 30 EGEDLO COc1ccc(C#N)cc1CO[NH+]=C(N)Cc1ccccc1Cl ZINC000772937985 1303596751 /nfs/dbraw/zinc/59/67/51/1303596751.db2.gz CZKCILRDNGYYQZ-UHFFFAOYSA-N 1 2 329.787 3.461 20 30 EGEDLO Oc1c(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)cc(Cl)c2ccccc12 ZINC000774584722 1303831789 /nfs/dbraw/zinc/83/17/89/1303831789.db2.gz APHIAHAAIICHOX-HOTGVXAUSA-N 1 2 342.830 3.393 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1csc(CCc2ccccc2)n1)[C@@H]1CCCO1 ZINC000775791502 1304038424 /nfs/dbraw/zinc/03/84/24/1304038424.db2.gz VOJDBWMNHJDXCT-MSOLQXFVSA-N 1 2 326.465 3.199 20 30 EGEDLO C[C@H]1C[N@H+](Cc2cc(C#N)cs2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000775969054 1304072225 /nfs/dbraw/zinc/07/22/25/1304072225.db2.gz PDZHAQCEQYRJKE-STQMWFEESA-N 1 2 335.473 3.449 20 30 EGEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)cs2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000775969054 1304072227 /nfs/dbraw/zinc/07/22/27/1304072227.db2.gz PDZHAQCEQYRJKE-STQMWFEESA-N 1 2 335.473 3.449 20 30 EGEDLO C#CCC[N@@H+](CC(=O)OCC)[C@H](C)c1cccc(Br)c1 ZINC000777713390 1304338750 /nfs/dbraw/zinc/33/87/50/1304338750.db2.gz QUUMLOJTGDODFK-CYBMUJFWSA-N 1 2 338.245 3.399 20 30 EGEDLO C#CCC[N@H+](CC(=O)OCC)[C@H](C)c1cccc(Br)c1 ZINC000777713390 1304338756 /nfs/dbraw/zinc/33/87/56/1304338756.db2.gz QUUMLOJTGDODFK-CYBMUJFWSA-N 1 2 338.245 3.399 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[NH2+]CC(=O)N(C)C1CCCCC1 ZINC000778175880 1304411455 /nfs/dbraw/zinc/41/14/55/1304411455.db2.gz DOQHHNFMCUYIEW-UHFFFAOYSA-N 1 2 348.874 3.233 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000779397398 1304566232 /nfs/dbraw/zinc/56/62/32/1304566232.db2.gz WBKZHZFAGMMSST-RHSMWYFYSA-N 1 2 340.427 3.017 20 30 EGEDLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1NCc1ccc(C#N)cn1 ZINC000780612487 1304714886 /nfs/dbraw/zinc/71/48/86/1304714886.db2.gz JCVHYXGAGRERII-UHFFFAOYSA-N 1 2 346.390 3.021 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cnc(C)s1 ZINC000968782492 1336048330 /nfs/dbraw/zinc/04/83/30/1336048330.db2.gz XEEYEPDGCXUQPB-CYBMUJFWSA-N 1 2 327.881 3.178 20 30 EGEDLO CC(C)(C#N)CCCOC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000783502545 1305100254 /nfs/dbraw/zinc/10/02/54/1305100254.db2.gz SWXIMRSPPCHSDO-SFHVURJKSA-N 1 2 344.455 3.058 20 30 EGEDLO Cc1cc(N2CCc3c(C#N)c(N)sc3C2)nc(C2CCC2)[nH+]1 ZINC000891616849 1305111805 /nfs/dbraw/zinc/11/18/05/1305111805.db2.gz BELPUJROQUEPSQ-UHFFFAOYSA-N 1 2 325.441 3.131 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1cnc(C)s1 ZINC000968782492 1336048328 /nfs/dbraw/zinc/04/83/28/1336048328.db2.gz XEEYEPDGCXUQPB-CYBMUJFWSA-N 1 2 327.881 3.178 20 30 EGEDLO C#C[C@H]([NH2+]Cc1nc(-c2cccc(OC)c2)cs1)[C@H]1CCCO1 ZINC000893675925 1306022525 /nfs/dbraw/zinc/02/25/25/1306022525.db2.gz HTQZZKRMXCBCEV-DOTOQJQBSA-N 1 2 328.437 3.089 20 30 EGEDLO Cc1nc(N2CCC(Nc3cccc[nH+]3)CC2)c(Cl)cc1C#N ZINC000895350372 1309294662 /nfs/dbraw/zinc/29/46/62/1309294662.db2.gz RZZYGQYVIJVSEY-UHFFFAOYSA-N 1 2 327.819 3.391 20 30 EGEDLO Cn1c(CC#N)nn(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)c1=S ZINC000794626740 1309560223 /nfs/dbraw/zinc/56/02/23/1309560223.db2.gz NCJFCIKPSCCZGU-MRXNPFEDSA-N 1 2 341.484 3.244 20 30 EGEDLO Cn1c(CC#N)nn(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)c1=S ZINC000794626740 1309560226 /nfs/dbraw/zinc/56/02/26/1309560226.db2.gz NCJFCIKPSCCZGU-MRXNPFEDSA-N 1 2 341.484 3.244 20 30 EGEDLO COc1ccc(OC)c(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)c1 ZINC000794692252 1309576197 /nfs/dbraw/zinc/57/61/97/1309576197.db2.gz VGFZOBBRGLRROY-SOFGYWHQSA-N 1 2 332.425 3.118 20 30 EGEDLO COc1ccc2c(c1)C(=O)/C(=C/c1ncc(C[NH+](C)C)s1)CCO2 ZINC000794703840 1309578396 /nfs/dbraw/zinc/57/83/96/1309578396.db2.gz WGBBJVGMOOGMNS-XYOKQWHBSA-N 1 2 344.436 3.262 20 30 EGEDLO NC(=[NH+]OC[C@@H]1CCCO1)c1ccc(OCc2ccccc2)cc1 ZINC000795204582 1309695792 /nfs/dbraw/zinc/69/57/92/1309695792.db2.gz CAXCCMNEAIQOTI-SFHVURJKSA-N 1 2 326.396 3.082 20 30 EGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)OCC[NH+]1CCSCC1 ZINC000796627026 1310049809 /nfs/dbraw/zinc/04/98/09/1310049809.db2.gz ZBIUZVBOSAQBLP-UHFFFAOYSA-N 1 2 346.477 3.287 20 30 EGEDLO N#Cc1ccc(C2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)cc1 ZINC000896865383 1310058606 /nfs/dbraw/zinc/05/86/06/1310058606.db2.gz VRASQDZXTGTARA-UHFFFAOYSA-N 1 2 333.439 3.332 20 30 EGEDLO N#Cc1ccc(C2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)cc1 ZINC000896865383 1310058616 /nfs/dbraw/zinc/05/86/16/1310058616.db2.gz VRASQDZXTGTARA-UHFFFAOYSA-N 1 2 333.439 3.332 20 30 EGEDLO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000897171929 1310208719 /nfs/dbraw/zinc/20/87/19/1310208719.db2.gz QJANOOFQUDOQBW-HNNXBMFYSA-N 1 2 340.452 3.493 20 30 EGEDLO CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000897171929 1310208721 /nfs/dbraw/zinc/20/87/21/1310208721.db2.gz QJANOOFQUDOQBW-HNNXBMFYSA-N 1 2 340.452 3.493 20 30 EGEDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](Cc1ccc(OCC#N)cc1)C1CC1 ZINC000839632214 1320947983 /nfs/dbraw/zinc/94/79/83/1320947983.db2.gz QZVBYTITZXHGLK-AWEZNQCLSA-N 1 2 330.428 3.284 20 30 EGEDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](Cc1ccc(OCC#N)cc1)C1CC1 ZINC000839632214 1320947989 /nfs/dbraw/zinc/94/79/89/1320947989.db2.gz QZVBYTITZXHGLK-AWEZNQCLSA-N 1 2 330.428 3.284 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2oc3ccccc3c2Cl)C1 ZINC000957120823 1317199406 /nfs/dbraw/zinc/19/94/06/1317199406.db2.gz RAYQSPPYJGINOG-UHFFFAOYSA-N 1 2 330.815 3.256 20 30 EGEDLO C=CCCCCCCNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000805104262 1317316634 /nfs/dbraw/zinc/31/66/34/1317316634.db2.gz OFTMPGCARVTFMV-UHFFFAOYSA-N 1 2 347.484 3.346 20 30 EGEDLO C=CCC[NH+]1CC(N(CC)C(=O)c2sc(Cl)nc2Cl)C1 ZINC000957392435 1317330425 /nfs/dbraw/zinc/33/04/25/1317330425.db2.gz DMUZQFKRPSFKMU-UHFFFAOYSA-N 1 2 334.272 3.172 20 30 EGEDLO CC(C)n1c[nH+]cc1/C=C1/COc2c(cc(F)cc2[N+](=O)[O-])C1=O ZINC000901488245 1317434621 /nfs/dbraw/zinc/43/46/21/1317434621.db2.gz CKFVNLHHBFCSDE-KMKOMSMNSA-N 1 2 331.303 3.170 20 30 EGEDLO CC(C)(C)c1cnc(C(C#N)C(=O)C2CC[NH+](C3CC3)CC2)s1 ZINC000805947559 1317442239 /nfs/dbraw/zinc/44/22/39/1317442239.db2.gz PGXOSSOFTRLLJR-CQSZACIVSA-N 1 2 331.485 3.491 20 30 EGEDLO CC(C)(C)c1cnc([C@H](C#N)C(=O)C2CC[NH+](C3CC3)CC2)s1 ZINC000805947559 1317442243 /nfs/dbraw/zinc/44/22/43/1317442243.db2.gz PGXOSSOFTRLLJR-CQSZACIVSA-N 1 2 331.485 3.491 20 30 EGEDLO CCCCCCCCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000806332669 1317481420 /nfs/dbraw/zinc/48/14/20/1317481420.db2.gz QCQFSQMPDXMXBU-QZTJIDSGSA-N 1 2 339.524 3.242 20 30 EGEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(C)c(F)c3)CC2)cc1 ZINC000809544417 1317828554 /nfs/dbraw/zinc/82/85/54/1317828554.db2.gz IVLKIUBGPWGMFW-UHFFFAOYSA-N 1 2 336.410 3.073 20 30 EGEDLO C#CC[N@H+](Cc1ccccc1)Cc1cc(OC)ccc1OCOC ZINC000809717140 1317874015 /nfs/dbraw/zinc/87/40/15/1317874015.db2.gz YBNKPFCQNSGDNY-UHFFFAOYSA-N 1 2 325.408 3.313 20 30 EGEDLO C#CC[N@@H+](Cc1ccccc1)Cc1cc(OC)ccc1OCOC ZINC000809717140 1317874020 /nfs/dbraw/zinc/87/40/20/1317874020.db2.gz YBNKPFCQNSGDNY-UHFFFAOYSA-N 1 2 325.408 3.313 20 30 EGEDLO Cc1cc(COC(=O)Cc2c[nH+]cn2Cc2ccccc2)ccc1C#N ZINC000811326840 1318155041 /nfs/dbraw/zinc/15/50/41/1318155041.db2.gz UVLOFHBCPDXVHR-UHFFFAOYSA-N 1 2 345.402 3.397 20 30 EGEDLO CC(C)CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000960384943 1318511070 /nfs/dbraw/zinc/51/10/70/1318511070.db2.gz PWSBVZFGQCTCQN-SFHVURJKSA-N 1 2 331.435 3.166 20 30 EGEDLO CC(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000960384943 1318511077 /nfs/dbraw/zinc/51/10/77/1318511077.db2.gz PWSBVZFGQCTCQN-SFHVURJKSA-N 1 2 331.435 3.166 20 30 EGEDLO COc1ccc(C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)cc1C#N ZINC000813859201 1318644339 /nfs/dbraw/zinc/64/43/39/1318644339.db2.gz PSGYJLBKVYRHAS-QGZVFWFLSA-N 1 2 325.416 3.096 20 30 EGEDLO CC1CC(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000960537927 1318661857 /nfs/dbraw/zinc/66/18/57/1318661857.db2.gz WIUJJJAFPYSXLY-KJXMEXGPSA-N 1 2 343.446 3.166 20 30 EGEDLO CC1CC(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000960537927 1318661862 /nfs/dbraw/zinc/66/18/62/1318661862.db2.gz WIUJJJAFPYSXLY-KJXMEXGPSA-N 1 2 343.446 3.166 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cc(C)on1 ZINC000960652949 1318774006 /nfs/dbraw/zinc/77/40/06/1318774006.db2.gz XOFWMPIYZCZSPQ-HNNXBMFYSA-N 1 2 339.867 3.185 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cc(C)on1 ZINC000960652949 1318774011 /nfs/dbraw/zinc/77/40/11/1318774011.db2.gz XOFWMPIYZCZSPQ-HNNXBMFYSA-N 1 2 339.867 3.185 20 30 EGEDLO S=C(NCc1ccccc1)N[NH+]=C1CC[C@@H]2CNc3cccc1c32 ZINC000814714595 1318803141 /nfs/dbraw/zinc/80/31/41/1318803141.db2.gz NHTRWAAVRCAYII-CQSZACIVSA-N 1 2 336.464 3.358 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ncc(C)s1 ZINC000960824860 1318951192 /nfs/dbraw/zinc/95/11/92/1318951192.db2.gz CXTFHXIILJQVHC-CRAIPNDOSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ncc(C)s1 ZINC000960824860 1318951199 /nfs/dbraw/zinc/95/11/99/1318951199.db2.gz CXTFHXIILJQVHC-CRAIPNDOSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2snnc2C)CC1 ZINC000960829153 1318955220 /nfs/dbraw/zinc/95/52/20/1318955220.db2.gz GBGVJRLKWGZLDG-MRXNPFEDSA-N 1 2 348.516 3.016 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2snnc2C)CC1 ZINC000960829153 1318955227 /nfs/dbraw/zinc/95/52/27/1318955227.db2.gz GBGVJRLKWGZLDG-MRXNPFEDSA-N 1 2 348.516 3.016 20 30 EGEDLO CC(=NNC(=S)NCCC(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000916352486 1319643099 /nfs/dbraw/zinc/64/30/99/1319643099.db2.gz QAPOJJYNLCFFNP-UHFFFAOYSA-N 1 2 329.473 3.107 20 30 EGEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(OCC2CCCCC2)cc1 ZINC000819432924 1319729820 /nfs/dbraw/zinc/72/98/20/1319729820.db2.gz PZLNUBOXYOHHPZ-LJQANCHMSA-N 1 2 345.487 3.264 20 30 EGEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(OCC2CCCCC2)cc1 ZINC000819432924 1319729831 /nfs/dbraw/zinc/72/98/31/1319729831.db2.gz PZLNUBOXYOHHPZ-LJQANCHMSA-N 1 2 345.487 3.264 20 30 EGEDLO C=CCn1c(C)nn(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1=S ZINC000819905031 1319798925 /nfs/dbraw/zinc/79/89/25/1319798925.db2.gz WJKDDMTWXAJKPN-MRXNPFEDSA-N 1 2 348.516 3.147 20 30 EGEDLO C=CCn1c(C)nn(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1=S ZINC000819905031 1319798927 /nfs/dbraw/zinc/79/89/27/1319798927.db2.gz WJKDDMTWXAJKPN-MRXNPFEDSA-N 1 2 348.516 3.147 20 30 EGEDLO C#CCC[NH+]1CCN(C(=O)c2cc3c(ccc4ccccc34)o2)CC1 ZINC000859003579 1328906075 /nfs/dbraw/zinc/90/60/75/1328906075.db2.gz PTHRVNVGPVVOOV-UHFFFAOYSA-N 1 2 332.403 3.367 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)O[C@H]1CCC[C@H](C#N)C1 ZINC000839059322 1320861090 /nfs/dbraw/zinc/86/10/90/1320861090.db2.gz OVOINPLZWISTKV-RYUDHWBXSA-N 1 2 333.338 3.249 20 30 EGEDLO Cc1cc(NC(=O)N2CCC(c3ccc(C#N)cc3)CC2)c(C)c[nH+]1 ZINC000930624391 1328918223 /nfs/dbraw/zinc/91/82/23/1328918223.db2.gz BXKXGGIWFCQUFA-UHFFFAOYSA-N 1 2 334.423 3.404 20 30 EGEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000839601751 1320943879 /nfs/dbraw/zinc/94/38/79/1320943879.db2.gz NMLJSONSKKLPTL-OAHLLOKOSA-N 1 2 335.407 3.231 20 30 EGEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000839601751 1320943882 /nfs/dbraw/zinc/94/38/82/1320943882.db2.gz NMLJSONSKKLPTL-OAHLLOKOSA-N 1 2 335.407 3.231 20 30 EGEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCC3(C#N)CCC3)c2)n1 ZINC000842025651 1321336517 /nfs/dbraw/zinc/33/65/17/1321336517.db2.gz YVHZZFMUZUGPRZ-UHFFFAOYSA-N 1 2 337.427 3.089 20 30 EGEDLO C[C@]1(Cc2ccccc2)CC(=O)N(C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000842602097 1321405091 /nfs/dbraw/zinc/40/50/91/1321405091.db2.gz SAAXCDCPXVLDDS-FQEVSTJZSA-N 1 2 325.456 3.051 20 30 EGEDLO Cc1ccc2sc(C[NH+]3CCN(c4ccc(C#N)nc4)CC3)nc2c1 ZINC000859284201 1328960801 /nfs/dbraw/zinc/96/08/01/1328960801.db2.gz GZADGSHYKAZPLN-UHFFFAOYSA-N 1 2 349.463 3.194 20 30 EGEDLO N#Cc1ccc(C[N@@H+](CC(=O)Nc2ccc(Cl)nc2)C2CC2)cc1 ZINC000851738733 1323078467 /nfs/dbraw/zinc/07/84/67/1323078467.db2.gz PUXRBERZROFWPI-UHFFFAOYSA-N 1 2 340.814 3.210 20 30 EGEDLO N#Cc1ccc(C[N@H+](CC(=O)Nc2ccc(Cl)nc2)C2CC2)cc1 ZINC000851738733 1323078477 /nfs/dbraw/zinc/07/84/77/1323078477.db2.gz PUXRBERZROFWPI-UHFFFAOYSA-N 1 2 340.814 3.210 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccoc2)c(F)c1 ZINC001024331827 1323319377 /nfs/dbraw/zinc/31/93/77/1323319377.db2.gz QXFXERWWJHLAOF-KRWDZBQOSA-N 1 2 341.386 3.075 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)c2ccoc2)c(F)c1 ZINC001024331827 1323319382 /nfs/dbraw/zinc/31/93/82/1323319382.db2.gz QXFXERWWJHLAOF-KRWDZBQOSA-N 1 2 341.386 3.075 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)ccc1OC ZINC001024541143 1323481947 /nfs/dbraw/zinc/48/19/47/1323481947.db2.gz XGMOCZICONBISR-OAHLLOKOSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)ccc1OC ZINC001024541143 1323481952 /nfs/dbraw/zinc/48/19/52/1323481952.db2.gz XGMOCZICONBISR-OAHLLOKOSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(F)ccc1OC ZINC001024586285 1323520721 /nfs/dbraw/zinc/52/07/21/1323520721.db2.gz NADRIXOEFDJOJC-CQSZACIVSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(F)ccc1OC ZINC001024586285 1323520728 /nfs/dbraw/zinc/52/07/28/1323520728.db2.gz NADRIXOEFDJOJC-CQSZACIVSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2ccccn2c1 ZINC001024689385 1323605857 /nfs/dbraw/zinc/60/58/57/1323605857.db2.gz FEOCKYAQKOXWJU-QGZVFWFLSA-N 1 2 331.847 3.276 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc2ccccn2c1 ZINC001024689385 1323605863 /nfs/dbraw/zinc/60/58/63/1323605863.db2.gz FEOCKYAQKOXWJU-QGZVFWFLSA-N 1 2 331.847 3.276 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(OC)c1F ZINC001024726732 1323628194 /nfs/dbraw/zinc/62/81/94/1323628194.db2.gz ZGLKYXJDQHCFSY-ZDUSSCGKSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(OC)c1F ZINC001024726732 1323628201 /nfs/dbraw/zinc/62/82/01/1323628201.db2.gz ZGLKYXJDQHCFSY-ZDUSSCGKSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(Cl)cn1 ZINC001024767778 1323666559 /nfs/dbraw/zinc/66/65/59/1323666559.db2.gz ISNURFWPPFDQOK-ZDUSSCGKSA-N 1 2 328.243 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(Cl)cn1 ZINC001024767778 1323666572 /nfs/dbraw/zinc/66/65/72/1323666572.db2.gz ISNURFWPPFDQOK-ZDUSSCGKSA-N 1 2 328.243 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(Cl)cn1CC ZINC001024804727 1323707992 /nfs/dbraw/zinc/70/79/92/1323707992.db2.gz YUNOQJZAGXYYGJ-CQSZACIVSA-N 1 2 344.286 3.498 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(Cl)cn1CC ZINC001024804727 1323707996 /nfs/dbraw/zinc/70/79/96/1323707996.db2.gz YUNOQJZAGXYYGJ-CQSZACIVSA-N 1 2 344.286 3.498 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(C)n(C(C)C)n1 ZINC001024828588 1323731954 /nfs/dbraw/zinc/73/19/54/1323731954.db2.gz JATUZHLLHZCTHG-HNNXBMFYSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C)n(C(C)C)n1 ZINC001024828588 1323731961 /nfs/dbraw/zinc/73/19/61/1323731961.db2.gz JATUZHLLHZCTHG-HNNXBMFYSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCCC[C@H]1C[NH2+]Cc1nnc(C2CC2)o1 ZINC001025037669 1323840304 /nfs/dbraw/zinc/84/03/04/1323840304.db2.gz KRESOSFXVKHUHX-HNNXBMFYSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccns1 ZINC001025239125 1324030806 /nfs/dbraw/zinc/03/08/06/1324030806.db2.gz ZXPUPFMNMXJTEG-KGLIPLIRSA-N 1 2 339.892 3.355 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccns1 ZINC001025239125 1324030815 /nfs/dbraw/zinc/03/08/15/1324030815.db2.gz ZXPUPFMNMXJTEG-KGLIPLIRSA-N 1 2 339.892 3.355 20 30 EGEDLO CO[C@H](C=[NH+]n1cnnc1SCc1ccc(Cl)cc1)C1CC1 ZINC000853280060 1325075522 /nfs/dbraw/zinc/07/55/22/1325075522.db2.gz CERAVSNHBXTKJL-CQSZACIVSA-N 1 2 336.848 3.483 20 30 EGEDLO C[C@@H]1CN(c2ccccc2C=[NH+]Nc2ccnc(Cl)c2)CCO1 ZINC000853394053 1325088872 /nfs/dbraw/zinc/08/88/72/1325088872.db2.gz GYHZRMVPHKUJOD-CYBMUJFWSA-N 1 2 330.819 3.406 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc([C@H](C)O)c(C)n1 ZINC000853466189 1325097693 /nfs/dbraw/zinc/09/76/93/1325097693.db2.gz VQJMTUVMFWAXSI-HNNXBMFYSA-N 1 2 325.412 3.243 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1CC[C@H](C2CCCCC2)C1=O ZINC000853489735 1325101681 /nfs/dbraw/zinc/10/16/81/1325101681.db2.gz VDZDQHHLHKUFHS-LJQANCHMSA-N 1 2 325.456 3.376 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1CC[C@H](C2CCCCC2)C1=O ZINC000853489735 1325101688 /nfs/dbraw/zinc/10/16/88/1325101688.db2.gz VDZDQHHLHKUFHS-LJQANCHMSA-N 1 2 325.456 3.376 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](CN2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000853523821 1325113865 /nfs/dbraw/zinc/11/38/65/1325113865.db2.gz HATMZXNYPRQZOY-AWEZNQCLSA-N 1 2 332.835 3.165 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](CN2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000853523821 1325113872 /nfs/dbraw/zinc/11/38/72/1325113872.db2.gz HATMZXNYPRQZOY-AWEZNQCLSA-N 1 2 332.835 3.165 20 30 EGEDLO C[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cccs1 ZINC000964808036 1327702415 /nfs/dbraw/zinc/70/24/15/1327702415.db2.gz RCDSNHRTWQSBLA-RHSMWYFYSA-N 1 2 339.464 3.260 20 30 EGEDLO C[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cccs1 ZINC000964808036 1327702419 /nfs/dbraw/zinc/70/24/19/1327702419.db2.gz RCDSNHRTWQSBLA-RHSMWYFYSA-N 1 2 339.464 3.260 20 30 EGEDLO CC(=O)N1CCN(c2ccc([NH2+][C@H](C)CC(C)(C)C#N)cc2)CC1 ZINC000926814676 1327730367 /nfs/dbraw/zinc/73/03/67/1327730367.db2.gz WSXLZXUYAIPRCE-OAHLLOKOSA-N 1 2 328.460 3.095 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)[C@H](C)c2nc(C3CC3)no2)C1 ZINC001027521182 1327793920 /nfs/dbraw/zinc/79/39/20/1327793920.db2.gz ZMVQKWKCMJKQQJ-UKRRQHHQSA-N 1 2 346.475 3.143 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)[C@H](C)c2nc(C3CC3)no2)C1 ZINC001027521182 1327793924 /nfs/dbraw/zinc/79/39/24/1327793924.db2.gz ZMVQKWKCMJKQQJ-UKRRQHHQSA-N 1 2 346.475 3.143 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC001027522236 1327795239 /nfs/dbraw/zinc/79/52/39/1327795239.db2.gz UVYWJOAVTIKWBQ-OAHLLOKOSA-N 1 2 333.476 3.433 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC001027522236 1327795247 /nfs/dbraw/zinc/79/52/47/1327795247.db2.gz UVYWJOAVTIKWBQ-OAHLLOKOSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)C(C)C)C1 ZINC001027605955 1327963765 /nfs/dbraw/zinc/96/37/65/1327963765.db2.gz ZGTFHTYOYAFOEJ-KBPBESRZSA-N 1 2 331.298 3.110 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)C(C)C)C1 ZINC001027605955 1327963770 /nfs/dbraw/zinc/96/37/70/1327963770.db2.gz ZGTFHTYOYAFOEJ-KBPBESRZSA-N 1 2 331.298 3.110 20 30 EGEDLO Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2C#N)s1 ZINC001027725790 1328146943 /nfs/dbraw/zinc/14/69/43/1328146943.db2.gz KLEKWKYHLWEYHW-QGZVFWFLSA-N 1 2 339.464 3.323 20 30 EGEDLO Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2C#N)s1 ZINC001027725790 1328146946 /nfs/dbraw/zinc/14/69/46/1328146946.db2.gz KLEKWKYHLWEYHW-QGZVFWFLSA-N 1 2 339.464 3.323 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2nsc3ccccc32)C1 ZINC000966296971 1328258250 /nfs/dbraw/zinc/25/82/50/1328258250.db2.gz KQWVSBTYDNFYBV-SMDDNHRTSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2nsc3ccccc32)C1 ZINC000966296971 1328258256 /nfs/dbraw/zinc/25/82/56/1328258256.db2.gz KQWVSBTYDNFYBV-SMDDNHRTSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2c(F)cccc2OC)C1 ZINC000966325202 1328273514 /nfs/dbraw/zinc/27/35/14/1328273514.db2.gz MSIQKUHTMUYUHJ-BXUZGUMPSA-N 1 2 340.826 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2c(F)cccc2OC)C1 ZINC000966325202 1328273522 /nfs/dbraw/zinc/27/35/22/1328273522.db2.gz MSIQKUHTMUYUHJ-BXUZGUMPSA-N 1 2 340.826 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2cc(C)cn2c1 ZINC001027926826 1328403727 /nfs/dbraw/zinc/40/37/27/1328403727.db2.gz YKBGHEUMNXUHII-KRWDZBQOSA-N 1 2 331.847 3.194 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2cc(C)cn2c1 ZINC001027926826 1328403731 /nfs/dbraw/zinc/40/37/31/1328403731.db2.gz YKBGHEUMNXUHII-KRWDZBQOSA-N 1 2 331.847 3.194 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn3c2CCCC3)C1 ZINC000966840675 1328435295 /nfs/dbraw/zinc/43/52/95/1328435295.db2.gz FZJLRSSHRQOUHK-BBRMVZONSA-N 1 2 335.879 3.017 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn3c2CCCC3)C1 ZINC000966840675 1328435300 /nfs/dbraw/zinc/43/53/00/1328435300.db2.gz FZJLRSSHRQOUHK-BBRMVZONSA-N 1 2 335.879 3.017 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2ccccc2CC)C1 ZINC000966903070 1328463792 /nfs/dbraw/zinc/46/37/92/1328463792.db2.gz ARRXMJQJUUECJV-KBXCAEBGSA-N 1 2 334.891 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2ccccc2CC)C1 ZINC000966903070 1328463800 /nfs/dbraw/zinc/46/38/00/1328463800.db2.gz ARRXMJQJUUECJV-KBXCAEBGSA-N 1 2 334.891 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(C)c(F)cc2F)C1 ZINC000966903039 1328464236 /nfs/dbraw/zinc/46/42/36/1328464236.db2.gz ACQARXZBGQUIPW-MGPLVRAMSA-N 1 2 342.817 3.466 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(C)c(F)cc2F)C1 ZINC000966903039 1328464241 /nfs/dbraw/zinc/46/42/41/1328464241.db2.gz ACQARXZBGQUIPW-MGPLVRAMSA-N 1 2 342.817 3.466 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CCN(c3cc(C)[nH+]c(C4CC4)n3)C2)C1 ZINC001063028396 1351705354 /nfs/dbraw/zinc/70/53/54/1351705354.db2.gz LPQSHHBNXFPKRT-MRXNPFEDSA-N 1 2 340.471 3.056 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](C/C(Cl)=C\Cl)C[C@@H]2C)C1 ZINC000942607748 1332003298 /nfs/dbraw/zinc/00/32/98/1332003298.db2.gz KJXIIWAYTQRDDN-FWRQMEPDSA-N 1 2 331.287 3.488 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](C/C(Cl)=C\Cl)C[C@@H]2C)C1 ZINC000942607748 1332003299 /nfs/dbraw/zinc/00/32/99/1332003299.db2.gz KJXIIWAYTQRDDN-FWRQMEPDSA-N 1 2 331.287 3.488 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)C2CCCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000946972099 1332949756 /nfs/dbraw/zinc/94/97/56/1332949756.db2.gz WIXZLUGZTWYMLN-LIRRHRJNSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)C2CCCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000946972099 1332949759 /nfs/dbraw/zinc/94/97/59/1332949759.db2.gz WIXZLUGZTWYMLN-LIRRHRJNSA-N 1 2 343.446 3.357 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2CC(C)(C)C2)C[C@H]1C ZINC000947271888 1333072658 /nfs/dbraw/zinc/07/26/58/1333072658.db2.gz OUUMSATZKYQHHQ-OCCSQVGLSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2CC(C)(C)C2)C[C@H]1C ZINC000947271888 1333072661 /nfs/dbraw/zinc/07/26/61/1333072661.db2.gz OUUMSATZKYQHHQ-OCCSQVGLSA-N 1 2 343.309 3.300 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)C2(C)CC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC000947327850 1333090408 /nfs/dbraw/zinc/09/04/08/1333090408.db2.gz KBYPASMXZVUPEH-NVXWUHKLSA-N 1 2 344.886 3.461 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)C2(C)CC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC000947327850 1333090410 /nfs/dbraw/zinc/09/04/10/1333090410.db2.gz KBYPASMXZVUPEH-NVXWUHKLSA-N 1 2 344.886 3.461 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cscn3)[C@@H](C)C2)CC1 ZINC000947686142 1333223362 /nfs/dbraw/zinc/22/33/62/1333223362.db2.gz UOAFIXCNWZWUMU-HOCLYGCPSA-N 1 2 333.501 3.359 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cscn3)[C@@H](C)C2)CC1 ZINC000947686142 1333223366 /nfs/dbraw/zinc/22/33/66/1333223366.db2.gz UOAFIXCNWZWUMU-HOCLYGCPSA-N 1 2 333.501 3.359 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3nnc(C(C)C)o3)[C@H](C)C2)C1 ZINC000947702583 1333232680 /nfs/dbraw/zinc/23/26/80/1333232680.db2.gz QARCTRCHHFMRHM-HUUCEWRRSA-N 1 2 346.475 3.018 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3nnc(C(C)C)o3)[C@H](C)C2)C1 ZINC000947702583 1333232684 /nfs/dbraw/zinc/23/26/84/1333232684.db2.gz QARCTRCHHFMRHM-HUUCEWRRSA-N 1 2 346.475 3.018 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C)cc(C)n1 ZINC000948932914 1333739025 /nfs/dbraw/zinc/73/90/25/1333739025.db2.gz PQUHXURNVRUSRN-OAQYLSRUSA-N 1 2 347.462 3.051 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C)cc(C)n1 ZINC000948932914 1333739028 /nfs/dbraw/zinc/73/90/28/1333739028.db2.gz PQUHXURNVRUSRN-OAQYLSRUSA-N 1 2 347.462 3.051 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1conc1C1CC1 ZINC000948957787 1333747473 /nfs/dbraw/zinc/74/74/73/1333747473.db2.gz IRSBFWSROMEAFA-GOSISDBHSA-N 1 2 337.423 3.067 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1conc1C1CC1 ZINC000948957787 1333747476 /nfs/dbraw/zinc/74/74/76/1333747476.db2.gz IRSBFWSROMEAFA-GOSISDBHSA-N 1 2 337.423 3.067 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnoc1C1CC1 ZINC000948977563 1333753963 /nfs/dbraw/zinc/75/39/63/1333753963.db2.gz BIWPTKVUDLWFAN-GOSISDBHSA-N 1 2 337.423 3.067 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnoc1C1CC1 ZINC000948977563 1333753966 /nfs/dbraw/zinc/75/39/66/1333753966.db2.gz BIWPTKVUDLWFAN-GOSISDBHSA-N 1 2 337.423 3.067 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cnoc1C1CC1 ZINC000948977564 1333754740 /nfs/dbraw/zinc/75/47/40/1333754740.db2.gz BIWPTKVUDLWFAN-SFHVURJKSA-N 1 2 337.423 3.067 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cnoc1C1CC1 ZINC000948977564 1333754741 /nfs/dbraw/zinc/75/47/41/1333754741.db2.gz BIWPTKVUDLWFAN-SFHVURJKSA-N 1 2 337.423 3.067 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C)c(CC)o1 ZINC000948978697 1333755211 /nfs/dbraw/zinc/75/52/11/1333755211.db2.gz OBIPYPOASYKZHK-GOSISDBHSA-N 1 2 336.435 3.113 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C)c(CC)o1 ZINC000948978697 1333755212 /nfs/dbraw/zinc/75/52/12/1333755212.db2.gz OBIPYPOASYKZHK-GOSISDBHSA-N 1 2 336.435 3.113 20 30 EGEDLO CC(C)c1cc(NC[C@H]2CCCN2C(=O)[C@@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001063454063 1351877084 /nfs/dbraw/zinc/87/70/84/1351877084.db2.gz MXRKWCLZMXWUFN-LSDHHAIUSA-N 1 2 343.475 3.286 20 30 EGEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)C[C@@H]3CCCC3(F)F)CC2)c1 ZINC000949852252 1333943939 /nfs/dbraw/zinc/94/39/39/1333943939.db2.gz HIGDNWAPSOKFFD-KRWDZBQOSA-N 1 2 347.409 3.028 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[NH+](CCCc3c(F)cccc3F)CC2)C1 ZINC000950382350 1334056159 /nfs/dbraw/zinc/05/61/59/1334056159.db2.gz BRVNJNAUWBXAKG-UHFFFAOYSA-N 1 2 348.437 3.398 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000950697619 1334118518 /nfs/dbraw/zinc/11/85/18/1334118518.db2.gz WINVHDMHUNBHLT-KBPBESRZSA-N 1 2 332.410 3.464 20 30 EGEDLO CCc1ccc(CC(=O)N2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000950891856 1334147268 /nfs/dbraw/zinc/14/72/68/1334147268.db2.gz RIGQEMKMTKQICO-UHFFFAOYSA-N 1 2 347.462 3.008 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2nccc3ccccc32)C1 ZINC000968076648 1335853511 /nfs/dbraw/zinc/85/35/11/1335853511.db2.gz DOJKQJRETYPZRI-SUMWQHHRSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2nccc3ccccc32)C1 ZINC000968076648 1335853513 /nfs/dbraw/zinc/85/35/13/1335853513.db2.gz DOJKQJRETYPZRI-SUMWQHHRSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(OC)cc2C)C1 ZINC000968133959 1335860337 /nfs/dbraw/zinc/86/03/37/1335860337.db2.gz WCDMRJKICDUGAD-SJCJKPOMSA-N 1 2 336.863 3.196 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(OC)cc2C)C1 ZINC000968133959 1335860340 /nfs/dbraw/zinc/86/03/40/1335860340.db2.gz WCDMRJKICDUGAD-SJCJKPOMSA-N 1 2 336.863 3.196 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC000968340063 1335894136 /nfs/dbraw/zinc/89/41/36/1335894136.db2.gz LSWGKQBVKIRRDB-KPZWWZAWSA-N 1 2 347.890 3.460 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC000968340063 1335894138 /nfs/dbraw/zinc/89/41/38/1335894138.db2.gz LSWGKQBVKIRRDB-KPZWWZAWSA-N 1 2 347.890 3.460 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC000968346189 1335896293 /nfs/dbraw/zinc/89/62/93/1335896293.db2.gz SLMZZDNFWBKHCO-SJKOYZFVSA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC000968346189 1335896296 /nfs/dbraw/zinc/89/62/96/1335896296.db2.gz SLMZZDNFWBKHCO-SJKOYZFVSA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000968508548 1335947196 /nfs/dbraw/zinc/94/71/96/1335947196.db2.gz AZKBIOQTXNQNAC-BZNIZROVSA-N 1 2 346.862 3.064 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000968508548 1335947198 /nfs/dbraw/zinc/94/71/98/1335947198.db2.gz AZKBIOQTXNQNAC-BZNIZROVSA-N 1 2 346.862 3.064 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC000968517116 1335950125 /nfs/dbraw/zinc/95/01/25/1335950125.db2.gz IISKJTRQPYGDOF-SJKOYZFVSA-N 1 2 335.879 3.086 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC000968517116 1335950127 /nfs/dbraw/zinc/95/01/27/1335950127.db2.gz IISKJTRQPYGDOF-SJKOYZFVSA-N 1 2 335.879 3.086 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC000968521752 1335953093 /nfs/dbraw/zinc/95/30/93/1335953093.db2.gz WGZMZSRXJUPKPU-FZMZJTMJSA-N 1 2 338.883 3.034 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC000968521752 1335953096 /nfs/dbraw/zinc/95/30/96/1335953096.db2.gz WGZMZSRXJUPKPU-FZMZJTMJSA-N 1 2 338.883 3.034 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccoc1 ZINC000968754210 1336039103 /nfs/dbraw/zinc/03/91/03/1336039103.db2.gz YQRAHTZPRSOGQK-AWEZNQCLSA-N 1 2 341.249 3.163 20 30 EGEDLO C=C(Br)C[N@H+]1CCCCC[C@H]1CNC(=O)c1ccoc1 ZINC000968754210 1336039105 /nfs/dbraw/zinc/03/91/05/1336039105.db2.gz YQRAHTZPRSOGQK-AWEZNQCLSA-N 1 2 341.249 3.163 20 30 EGEDLO Cc1cccc(C(=O)N[C@@H](C)C2C[NH+](Cc3ccccc3C#N)C2)c1 ZINC000969227569 1336181447 /nfs/dbraw/zinc/18/14/47/1336181447.db2.gz JKPVXLUQGMDRBW-INIZCTEOSA-N 1 2 333.435 3.117 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2nsc3ccccc32)C1 ZINC000969739706 1336241353 /nfs/dbraw/zinc/24/13/53/1336241353.db2.gz STLZIUVDLDFJAR-NSHDSACASA-N 1 2 335.860 3.099 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc3cccnc3c2)C1 ZINC000970610441 1336327410 /nfs/dbraw/zinc/32/74/10/1336327410.db2.gz NTNWPQVYTOMGPR-ZDUSSCGKSA-N 1 2 329.831 3.037 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CCCCC3)C2)c(F)c1 ZINC001006606085 1336537500 /nfs/dbraw/zinc/53/75/00/1336537500.db2.gz BVBCOMFGAJAUJE-GOSISDBHSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C3CCCCC3)C2)c(F)c1 ZINC001006606085 1336537502 /nfs/dbraw/zinc/53/75/02/1336537502.db2.gz BVBCOMFGAJAUJE-GOSISDBHSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3cccs3)C2)s1 ZINC001006624294 1336541434 /nfs/dbraw/zinc/54/14/34/1336541434.db2.gz KQWPYQAQVROJPU-LBPRGKRZSA-N 1 2 331.466 3.076 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3cccs3)C2)s1 ZINC001006624294 1336541435 /nfs/dbraw/zinc/54/14/35/1336541435.db2.gz KQWPYQAQVROJPU-LBPRGKRZSA-N 1 2 331.466 3.076 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CC=CCC3)C2)ccc1F ZINC001006720805 1336564277 /nfs/dbraw/zinc/56/42/77/1336564277.db2.gz IRTNXWDIJIPEJI-FUHWJXTLSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3CC=CCC3)C2)ccc1F ZINC001006720805 1336564282 /nfs/dbraw/zinc/56/42/82/1336564282.db2.gz IRTNXWDIJIPEJI-FUHWJXTLSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3cc(OC)ccc32)C1 ZINC001007458006 1336651246 /nfs/dbraw/zinc/65/12/46/1336651246.db2.gz CZSDPFQAKZNCKX-YJBOKZPZSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3cc(OC)ccc32)C1 ZINC001007458006 1336651248 /nfs/dbraw/zinc/65/12/48/1336651248.db2.gz CZSDPFQAKZNCKX-YJBOKZPZSA-N 1 2 348.874 3.058 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)c2[nH]ccc2C2CC2)C1 ZINC001007481861 1336655362 /nfs/dbraw/zinc/65/53/62/1336655362.db2.gz XGQIEZILYYOYMJ-GOSISDBHSA-N 1 2 348.450 3.158 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)c2[nH]ccc2C2CC2)C1 ZINC001007481861 1336655364 /nfs/dbraw/zinc/65/53/64/1336655364.db2.gz XGQIEZILYYOYMJ-GOSISDBHSA-N 1 2 348.450 3.158 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc([C@@H]3CCOC3)c2)C1 ZINC001007701026 1336688879 /nfs/dbraw/zinc/68/88/79/1336688879.db2.gz XJSWNYGQEIBFFE-QZTJIDSGSA-N 1 2 348.874 3.137 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccc([C@@H]3CCOC3)c2)C1 ZINC001007701026 1336688881 /nfs/dbraw/zinc/68/88/81/1336688881.db2.gz XJSWNYGQEIBFFE-QZTJIDSGSA-N 1 2 348.874 3.137 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2([C@H]3CCCCO3)CCC2)C1 ZINC001007923569 1336733443 /nfs/dbraw/zinc/73/34/43/1336733443.db2.gz ZXERRBIPCULWMB-HZPDHXFCSA-N 1 2 340.895 3.059 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2([C@H]3CCCCO3)CCC2)C1 ZINC001007923569 1336733447 /nfs/dbraw/zinc/73/34/47/1336733447.db2.gz ZXERRBIPCULWMB-HZPDHXFCSA-N 1 2 340.895 3.059 20 30 EGEDLO CC(C)(C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1)C1CC1 ZINC001008223924 1336796848 /nfs/dbraw/zinc/79/68/48/1336796848.db2.gz IVZIGOXICJKIDG-KRWDZBQOSA-N 1 2 343.446 3.214 20 30 EGEDLO CC(C)(C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1)C1CC1 ZINC001008223924 1336796849 /nfs/dbraw/zinc/79/68/49/1336796849.db2.gz IVZIGOXICJKIDG-KRWDZBQOSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001008263134 1336808884 /nfs/dbraw/zinc/80/88/84/1336808884.db2.gz XECFBSXNVNBZKT-DOMZBBRYSA-N 1 2 334.847 3.129 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001008263134 1336808888 /nfs/dbraw/zinc/80/88/88/1336808888.db2.gz XECFBSXNVNBZKT-DOMZBBRYSA-N 1 2 334.847 3.129 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](Cc3ncc(C)s3)C2)CC1 ZINC001008413985 1336845988 /nfs/dbraw/zinc/84/59/88/1336845988.db2.gz YCJSDLRVOOSUST-INIZCTEOSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](Cc3ncc(C)s3)C2)CC1 ZINC001008413985 1336845989 /nfs/dbraw/zinc/84/59/89/1336845989.db2.gz YCJSDLRVOOSUST-INIZCTEOSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(F)ccc3OC)C2)C1 ZINC001008437636 1336853552 /nfs/dbraw/zinc/85/35/52/1336853552.db2.gz PESACLZTQZDITI-QGZVFWFLSA-N 1 2 346.446 3.271 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(F)ccc3OC)C2)C1 ZINC001008437636 1336853557 /nfs/dbraw/zinc/85/35/57/1336853557.db2.gz PESACLZTQZDITI-QGZVFWFLSA-N 1 2 346.446 3.271 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3ccncc3Cl)C2)C1 ZINC001008437643 1336853583 /nfs/dbraw/zinc/85/35/83/1336853583.db2.gz PLJBSYPYXWHDTQ-HNNXBMFYSA-N 1 2 333.863 3.172 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3ccncc3Cl)C2)C1 ZINC001008437643 1336853586 /nfs/dbraw/zinc/85/35/86/1336853586.db2.gz PLJBSYPYXWHDTQ-HNNXBMFYSA-N 1 2 333.863 3.172 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001008666048 1336907061 /nfs/dbraw/zinc/90/70/61/1336907061.db2.gz LVAFTPMBSBUOLQ-MSOLQXFVSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001008666048 1336907062 /nfs/dbraw/zinc/90/70/62/1336907062.db2.gz LVAFTPMBSBUOLQ-MSOLQXFVSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cccc3ccncc32)C1 ZINC001009044848 1336959284 /nfs/dbraw/zinc/95/92/84/1336959284.db2.gz LDHYENWMTCZHOM-HNNXBMFYSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cccc3ccncc32)C1 ZINC001009044848 1336959285 /nfs/dbraw/zinc/95/92/85/1336959285.db2.gz LDHYENWMTCZHOM-HNNXBMFYSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2CCC(C(F)F)CC2)C1 ZINC001009363651 1337011465 /nfs/dbraw/zinc/01/14/65/1337011465.db2.gz CRQOQNFAGXASJM-JXQTWKCFSA-N 1 2 334.838 3.391 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2CCC(C(F)F)CC2)C1 ZINC001009363651 1337011467 /nfs/dbraw/zinc/01/14/67/1337011467.db2.gz CRQOQNFAGXASJM-JXQTWKCFSA-N 1 2 334.838 3.391 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001009591635 1337042702 /nfs/dbraw/zinc/04/27/02/1337042702.db2.gz YXDVKFDPDSFDHJ-JSGCOSHPSA-N 1 2 342.817 3.401 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001009591635 1337042703 /nfs/dbraw/zinc/04/27/03/1337042703.db2.gz YXDVKFDPDSFDHJ-JSGCOSHPSA-N 1 2 342.817 3.401 20 30 EGEDLO C#Cc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2CNc2cc[nH+]c(C)n2)cc1 ZINC001063955600 1352109339 /nfs/dbraw/zinc/10/93/39/1352109339.db2.gz FFGQIKNKOCRPOB-BEFAXECRSA-N 1 2 348.450 3.119 20 30 EGEDLO Cc1occc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001010129581 1337146227 /nfs/dbraw/zinc/14/62/27/1337146227.db2.gz XUEYAXLLWHCOLY-QGZVFWFLSA-N 1 2 342.826 3.097 20 30 EGEDLO Cc1occc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001010129581 1337146230 /nfs/dbraw/zinc/14/62/30/1337146230.db2.gz XUEYAXLLWHCOLY-QGZVFWFLSA-N 1 2 342.826 3.097 20 30 EGEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)C(F)=C1CCCC1 ZINC001010565107 1337223643 /nfs/dbraw/zinc/22/36/43/1337223643.db2.gz DHGVOKBSEFHRQO-SFHVURJKSA-N 1 2 326.415 3.026 20 30 EGEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)C(F)=C1CCCC1 ZINC001010565107 1337223646 /nfs/dbraw/zinc/22/36/46/1337223646.db2.gz DHGVOKBSEFHRQO-SFHVURJKSA-N 1 2 326.415 3.026 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2[C@H](CCN2c2nc(C)[nH+]c(C)c2C)C1 ZINC001064031789 1352135863 /nfs/dbraw/zinc/13/58/63/1352135863.db2.gz VEIYYDNDXJEVCO-SJORKVTESA-N 1 2 342.487 3.041 20 30 EGEDLO Cc1csc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)c1 ZINC001014379457 1337759767 /nfs/dbraw/zinc/75/97/67/1337759767.db2.gz XOKFXOWOVJMFEZ-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1csc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)c1 ZINC001014379457 1337759769 /nfs/dbraw/zinc/75/97/69/1337759769.db2.gz XOKFXOWOVJMFEZ-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)C[C@@H]3C=CCCC3)C2)c1 ZINC001014910051 1337947194 /nfs/dbraw/zinc/94/71/94/1337947194.db2.gz PBUZTTHWRUNLGD-CRAIPNDOSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)C[C@@H]3C=CCCC3)C2)c1 ZINC001014910051 1337947197 /nfs/dbraw/zinc/94/71/97/1337947197.db2.gz PBUZTTHWRUNLGD-CRAIPNDOSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)nn2C(CC)CC)C1 ZINC001015032474 1337995926 /nfs/dbraw/zinc/99/59/26/1337995926.db2.gz KQAPRGSVARGMOJ-AWEZNQCLSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)nn2C(CC)CC)C1 ZINC001015032474 1337995927 /nfs/dbraw/zinc/99/59/27/1337995927.db2.gz KQAPRGSVARGMOJ-AWEZNQCLSA-N 1 2 338.883 3.109 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)c(C)s1 ZINC001015154115 1338037260 /nfs/dbraw/zinc/03/72/60/1338037260.db2.gz XZSHMKVZYCODOO-GOSISDBHSA-N 1 2 338.476 3.221 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c(C)s1 ZINC001015154115 1338037265 /nfs/dbraw/zinc/03/72/65/1338037265.db2.gz XZSHMKVZYCODOO-GOSISDBHSA-N 1 2 338.476 3.221 20 30 EGEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001015238552 1338067679 /nfs/dbraw/zinc/06/76/79/1338067679.db2.gz MMMXRDKHKZQUMS-GVDBMIGSSA-N 1 2 343.446 3.070 20 30 EGEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001015238552 1338067682 /nfs/dbraw/zinc/06/76/82/1338067682.db2.gz MMMXRDKHKZQUMS-GVDBMIGSSA-N 1 2 343.446 3.070 20 30 EGEDLO CC(C)(C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1)C1CCC1 ZINC001015410904 1338130399 /nfs/dbraw/zinc/13/03/99/1338130399.db2.gz ZUEKFLGSEFWFNQ-SFHVURJKSA-N 1 2 325.456 3.075 20 30 EGEDLO CC(C)(C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1)C1CCC1 ZINC001015410904 1338130401 /nfs/dbraw/zinc/13/04/01/1338130401.db2.gz ZUEKFLGSEFWFNQ-SFHVURJKSA-N 1 2 325.456 3.075 20 30 EGEDLO CC1(C(=O)N[C@@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)CCC1 ZINC001015528095 1338169108 /nfs/dbraw/zinc/16/91/08/1338169108.db2.gz BKFKVGJYTPAEQG-QGZVFWFLSA-N 1 2 330.859 3.072 20 30 EGEDLO CC1(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)CCC1 ZINC001015528095 1338169109 /nfs/dbraw/zinc/16/91/09/1338169109.db2.gz BKFKVGJYTPAEQG-QGZVFWFLSA-N 1 2 330.859 3.072 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cc(F)ccc3F)C2)CC1 ZINC001015659673 1338238929 /nfs/dbraw/zinc/23/89/29/1338238929.db2.gz HPDZLLMCSMQGEG-KRWDZBQOSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cc(F)ccc3F)C2)CC1 ZINC001015659673 1338238930 /nfs/dbraw/zinc/23/89/30/1338238930.db2.gz HPDZLLMCSMQGEG-KRWDZBQOSA-N 1 2 334.410 3.402 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001015807128 1338319043 /nfs/dbraw/zinc/31/90/43/1338319043.db2.gz PTGNQGLNYHDOOR-HBMCJLEFSA-N 1 2 345.446 3.052 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001015807128 1338319046 /nfs/dbraw/zinc/31/90/46/1338319046.db2.gz PTGNQGLNYHDOOR-HBMCJLEFSA-N 1 2 345.446 3.052 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccc(Cl)s2)C1 ZINC001015963798 1338381138 /nfs/dbraw/zinc/38/11/38/1338381138.db2.gz RJSYPYCELPGRAG-QWRGUYRKSA-N 1 2 333.284 3.448 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccc(Cl)s2)C1 ZINC001015963798 1338381140 /nfs/dbraw/zinc/38/11/40/1338381140.db2.gz RJSYPYCELPGRAG-QWRGUYRKSA-N 1 2 333.284 3.448 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)c2cc3ccccc3o2)C1 ZINC001015966874 1338382402 /nfs/dbraw/zinc/38/24/02/1338382402.db2.gz RIJZESLKTFMIEE-UKRRQHHQSA-N 1 2 332.831 3.479 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)c2cc3ccccc3o2)C1 ZINC001015966874 1338382406 /nfs/dbraw/zinc/38/24/06/1338382406.db2.gz RIJZESLKTFMIEE-UKRRQHHQSA-N 1 2 332.831 3.479 20 30 EGEDLO CCCc1occc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001015991293 1338396343 /nfs/dbraw/zinc/39/63/43/1338396343.db2.gz ZBXDGNQWQCQTQI-ZDUSSCGKSA-N 1 2 343.452 3.170 20 30 EGEDLO CCCc1occc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001015991293 1338396347 /nfs/dbraw/zinc/39/63/47/1338396347.db2.gz ZBXDGNQWQCQTQI-ZDUSSCGKSA-N 1 2 343.452 3.170 20 30 EGEDLO CCc1cc(C)c(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)o1 ZINC001015999418 1338400174 /nfs/dbraw/zinc/40/01/74/1338400174.db2.gz OKJRONPCFCHTGH-GOSISDBHSA-N 1 2 336.435 3.006 20 30 EGEDLO CCc1cc(C)c(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)o1 ZINC001015999418 1338400178 /nfs/dbraw/zinc/40/01/78/1338400178.db2.gz OKJRONPCFCHTGH-GOSISDBHSA-N 1 2 336.435 3.006 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2ccccc2Cl)C1 ZINC001016066122 1338439581 /nfs/dbraw/zinc/43/95/81/1338439581.db2.gz LFRJQOBKNIMFLC-MRXNPFEDSA-N 1 2 339.826 3.216 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2Cl)C1 ZINC001016066122 1338439584 /nfs/dbraw/zinc/43/95/84/1338439584.db2.gz LFRJQOBKNIMFLC-MRXNPFEDSA-N 1 2 339.826 3.216 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC001016068720 1338442270 /nfs/dbraw/zinc/44/22/70/1338442270.db2.gz MVMJGNXTNHXZJB-ZDUSSCGKSA-N 1 2 332.753 3.262 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC001016068720 1338442272 /nfs/dbraw/zinc/44/22/72/1338442272.db2.gz MVMJGNXTNHXZJB-ZDUSSCGKSA-N 1 2 332.753 3.262 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)C3CCC=CCC3)C2)c1 ZINC001016286035 1338534921 /nfs/dbraw/zinc/53/49/21/1338534921.db2.gz DRADGJPTLIWRHO-GOSISDBHSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)C3CCC=CCC3)C2)c1 ZINC001016286035 1338534928 /nfs/dbraw/zinc/53/49/28/1338534928.db2.gz DRADGJPTLIWRHO-GOSISDBHSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001016347007 1338561197 /nfs/dbraw/zinc/56/11/97/1338561197.db2.gz ZPMJWAOCIZCFQO-MPIRFRCKSA-N 1 2 337.467 3.075 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001016347007 1338561201 /nfs/dbraw/zinc/56/12/01/1338561201.db2.gz ZPMJWAOCIZCFQO-MPIRFRCKSA-N 1 2 337.467 3.075 20 30 EGEDLO CC1(C)CCC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001016361897 1338566657 /nfs/dbraw/zinc/56/66/57/1338566657.db2.gz IRVUHPOZDHAFGC-APWZRJJASA-N 1 2 339.483 3.465 20 30 EGEDLO CC1(C)CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001016361897 1338566659 /nfs/dbraw/zinc/56/66/59/1338566659.db2.gz IRVUHPOZDHAFGC-APWZRJJASA-N 1 2 339.483 3.465 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(F)cc2)c1 ZINC001017302005 1339324986 /nfs/dbraw/zinc/32/49/86/1339324986.db2.gz PWFXYAJRPNMIBP-BGYRXZFFSA-N 1 2 349.409 3.186 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(F)cc2)c1 ZINC001017302005 1339324989 /nfs/dbraw/zinc/32/49/89/1339324989.db2.gz PWFXYAJRPNMIBP-BGYRXZFFSA-N 1 2 349.409 3.186 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c3c(cccc31)CC2 ZINC001017720871 1339400626 /nfs/dbraw/zinc/40/06/26/1339400626.db2.gz GWDNRTSJIYVGTQ-KDURUIRLSA-N 1 2 344.458 3.251 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c3c(cccc31)CC2 ZINC001017720871 1339400628 /nfs/dbraw/zinc/40/06/28/1339400628.db2.gz GWDNRTSJIYVGTQ-KDURUIRLSA-N 1 2 344.458 3.251 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC001017887209 1339440326 /nfs/dbraw/zinc/44/03/26/1339440326.db2.gz XDMVVAXMVWYHMW-JCGIZDLHSA-N 1 2 330.859 3.142 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC001017887209 1339440327 /nfs/dbraw/zinc/44/03/27/1339440327.db2.gz XDMVVAXMVWYHMW-JCGIZDLHSA-N 1 2 330.859 3.142 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001018049349 1339490310 /nfs/dbraw/zinc/49/03/10/1339490310.db2.gz XJJUBNOVTNQIAV-ZSYWTGECSA-N 1 2 342.870 3.142 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001018049349 1339490312 /nfs/dbraw/zinc/49/03/12/1339490312.db2.gz XJJUBNOVTNQIAV-ZSYWTGECSA-N 1 2 342.870 3.142 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2cccs2)o1 ZINC001018226279 1339539893 /nfs/dbraw/zinc/53/98/93/1339539893.db2.gz FFSOUJHQPSFPMC-GASCZTMLSA-N 1 2 340.448 3.320 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2cccs2)o1 ZINC001018226279 1339539897 /nfs/dbraw/zinc/53/98/97/1339539897.db2.gz FFSOUJHQPSFPMC-GASCZTMLSA-N 1 2 340.448 3.320 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl ZINC001028147856 1340452664 /nfs/dbraw/zinc/45/26/64/1340452664.db2.gz PMTWRBSWKHXCCU-KBAYOESNSA-N 1 2 344.886 3.318 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1Cl ZINC001028147856 1340452667 /nfs/dbraw/zinc/45/26/67/1340452667.db2.gz PMTWRBSWKHXCCU-KBAYOESNSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC(C)C)cc1 ZINC001028302050 1340551487 /nfs/dbraw/zinc/55/14/87/1340551487.db2.gz WKOXBLJLUADNAU-MRXNPFEDSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC(C)C)cc1 ZINC001028302050 1340551491 /nfs/dbraw/zinc/55/14/91/1340551491.db2.gz WKOXBLJLUADNAU-MRXNPFEDSA-N 1 2 336.863 3.421 20 30 EGEDLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2cccc(Cl)c2)CC1 ZINC001029318060 1340970737 /nfs/dbraw/zinc/97/07/37/1340970737.db2.gz AGOAJHKNHBNLGH-HDICACEKSA-N 1 2 342.870 3.167 20 30 EGEDLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2cccc(Cl)c2)CC1 ZINC001029318060 1340970739 /nfs/dbraw/zinc/97/07/39/1340970739.db2.gz AGOAJHKNHBNLGH-HDICACEKSA-N 1 2 342.870 3.167 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001029432815 1340989270 /nfs/dbraw/zinc/98/92/70/1340989270.db2.gz MQOLBLSTZLPNBW-OTWHNJEPSA-N 1 2 337.467 3.170 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001029432815 1340989271 /nfs/dbraw/zinc/98/92/71/1340989271.db2.gz MQOLBLSTZLPNBW-OTWHNJEPSA-N 1 2 337.467 3.170 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(C3CC3)no2)C1 ZINC001029465484 1340996841 /nfs/dbraw/zinc/99/68/41/1340996841.db2.gz ZMEAJTWDMGEISO-IYBDPMFKSA-N 1 2 341.455 3.084 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cc(C3CC3)no2)C1 ZINC001029465484 1340996842 /nfs/dbraw/zinc/99/68/42/1340996842.db2.gz ZMEAJTWDMGEISO-IYBDPMFKSA-N 1 2 341.455 3.084 20 30 EGEDLO CC(C)C1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2C#N)CC1 ZINC001029465937 1340996850 /nfs/dbraw/zinc/99/68/50/1340996850.db2.gz WQHWZPIKCPOAOW-KDURUIRLSA-N 1 2 337.467 3.170 20 30 EGEDLO CC(C)C1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2C#N)CC1 ZINC001029465937 1340996851 /nfs/dbraw/zinc/99/68/51/1340996851.db2.gz WQHWZPIKCPOAOW-KDURUIRLSA-N 1 2 337.467 3.170 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2C#N)C1 ZINC001029466444 1340997079 /nfs/dbraw/zinc/99/70/79/1340997079.db2.gz QWKFLWPTLFKHLP-KDURUIRLSA-N 1 2 335.451 3.090 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2C#N)C1 ZINC001029466444 1340997080 /nfs/dbraw/zinc/99/70/80/1340997080.db2.gz QWKFLWPTLFKHLP-KDURUIRLSA-N 1 2 335.451 3.090 20 30 EGEDLO CC(C)c1ccc([C@@H](C)[NH+]2CC(NC(=O)c3c[nH]c(C#N)c3)C2)cc1 ZINC001030235274 1341173397 /nfs/dbraw/zinc/17/33/97/1341173397.db2.gz SNJHVJWNBYIMIS-CQSZACIVSA-N 1 2 336.439 3.185 20 30 EGEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1ccc2occc2c1 ZINC001031691109 1341388570 /nfs/dbraw/zinc/38/85/70/1341388570.db2.gz RHGAKCFIBIGYQD-UHFFFAOYSA-N 1 2 344.414 3.146 20 30 EGEDLO C[C@@H]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031937616 1341426399 /nfs/dbraw/zinc/42/63/99/1341426399.db2.gz ZUHSURFFXHXIIQ-KDOFPFPSSA-N 1 2 343.446 3.072 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCCCc3ccccc32)C1 ZINC001032210668 1341473831 /nfs/dbraw/zinc/47/38/31/1341473831.db2.gz LXNGABNCJOSASX-SFHVURJKSA-N 1 2 332.875 3.297 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC001032223552 1341477361 /nfs/dbraw/zinc/47/73/61/1341477361.db2.gz VBDZWKGZZAPPOV-UHFFFAOYSA-N 1 2 329.831 3.096 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCc2c1cc(F)cc2F ZINC001032562627 1341540916 /nfs/dbraw/zinc/54/09/16/1341540916.db2.gz ZRRRGFRTPUAJEG-DEYYWGMASA-N 1 2 346.421 3.449 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCc2c1cc(F)cc2F ZINC001032562627 1341540917 /nfs/dbraw/zinc/54/09/17/1341540917.db2.gz ZRRRGFRTPUAJEG-DEYYWGMASA-N 1 2 346.421 3.449 20 30 EGEDLO C[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1)C1CCCC1 ZINC001032724945 1341592322 /nfs/dbraw/zinc/59/23/22/1341592322.db2.gz IBFHKXBJWLPEGP-XPGWFJOJSA-N 1 2 337.467 3.170 20 30 EGEDLO C[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1)C1CCCC1 ZINC001032724945 1341592326 /nfs/dbraw/zinc/59/23/26/1341592326.db2.gz IBFHKXBJWLPEGP-XPGWFJOJSA-N 1 2 337.467 3.170 20 30 EGEDLO C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1)c1ccco1 ZINC001032736773 1341595901 /nfs/dbraw/zinc/59/59/01/1341595901.db2.gz FXNWPJZEKFYCNR-IHPCNDPISA-N 1 2 348.446 3.110 20 30 EGEDLO C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1)c1ccco1 ZINC001032736773 1341595903 /nfs/dbraw/zinc/59/59/03/1341595903.db2.gz FXNWPJZEKFYCNR-IHPCNDPISA-N 1 2 348.446 3.110 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2C)C1 ZINC001032882123 1341650169 /nfs/dbraw/zinc/65/01/69/1341650169.db2.gz YYWYWCHKPIAWCY-AWEZNQCLSA-N 1 2 337.261 3.050 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2C)C1 ZINC001032882123 1341650170 /nfs/dbraw/zinc/65/01/70/1341650170.db2.gz YYWYWCHKPIAWCY-AWEZNQCLSA-N 1 2 337.261 3.050 20 30 EGEDLO CN(C(=O)CC1CCC1)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001032973487 1341681534 /nfs/dbraw/zinc/68/15/34/1341681534.db2.gz OCVGRGNEVPGCTA-SFHVURJKSA-N 1 2 344.886 3.414 20 30 EGEDLO CN(C(=O)CC1CCC1)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001032973487 1341681537 /nfs/dbraw/zinc/68/15/37/1341681537.db2.gz OCVGRGNEVPGCTA-SFHVURJKSA-N 1 2 344.886 3.414 20 30 EGEDLO CN(C(=O)C(F)=C1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033003710 1341692640 /nfs/dbraw/zinc/69/26/40/1341692640.db2.gz GJSBGXUGXADOCY-GOSISDBHSA-N 1 2 341.430 3.389 20 30 EGEDLO CN(C(=O)C(F)=C1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033003710 1341692642 /nfs/dbraw/zinc/69/26/42/1341692642.db2.gz GJSBGXUGXADOCY-GOSISDBHSA-N 1 2 341.430 3.389 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(-c3ccccc3)on2)C1 ZINC001033250350 1341757594 /nfs/dbraw/zinc/75/75/94/1341757594.db2.gz KSIDWXWSMDLSHM-OAHLLOKOSA-N 1 2 345.830 3.240 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(-c3ccccc3)on2)C1 ZINC001033250350 1341757598 /nfs/dbraw/zinc/75/75/98/1341757598.db2.gz KSIDWXWSMDLSHM-OAHLLOKOSA-N 1 2 345.830 3.240 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(C(F)F)cc2)C1 ZINC001033259852 1341761140 /nfs/dbraw/zinc/76/11/40/1341761140.db2.gz QBSSGMGLKVXAGT-OAHLLOKOSA-N 1 2 342.817 3.452 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(C(F)F)cc2)C1 ZINC001033259852 1341761142 /nfs/dbraw/zinc/76/11/42/1341761142.db2.gz QBSSGMGLKVXAGT-OAHLLOKOSA-N 1 2 342.817 3.452 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(F)c3ccncc23)C1 ZINC001033354850 1341793994 /nfs/dbraw/zinc/79/39/94/1341793994.db2.gz SCHWHBPNQSFSBX-CYBMUJFWSA-N 1 2 347.821 3.273 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(F)c3ccncc23)C1 ZINC001033354850 1341793995 /nfs/dbraw/zinc/79/39/95/1341793995.db2.gz SCHWHBPNQSFSBX-CYBMUJFWSA-N 1 2 347.821 3.273 20 30 EGEDLO CN(C(=O)c1ccoc1C1CC1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033364759 1341797458 /nfs/dbraw/zinc/79/74/58/1341797458.db2.gz XMCADFADMQQIFI-SFHVURJKSA-N 1 2 349.434 3.375 20 30 EGEDLO CN(C(=O)c1ccoc1C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033364759 1341797459 /nfs/dbraw/zinc/79/74/59/1341797459.db2.gz XMCADFADMQQIFI-SFHVURJKSA-N 1 2 349.434 3.375 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(OC)c(C3CC3)c2)C1 ZINC001033535414 1341861970 /nfs/dbraw/zinc/86/19/70/1341861970.db2.gz CINMCOHQZZMMFP-INIZCTEOSA-N 1 2 348.874 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(OC)c(C3CC3)c2)C1 ZINC001033535414 1341861971 /nfs/dbraw/zinc/86/19/71/1341861971.db2.gz CINMCOHQZZMMFP-INIZCTEOSA-N 1 2 348.874 3.471 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2nsc3ccccc23)C1 ZINC001033686798 1341952267 /nfs/dbraw/zinc/95/22/67/1341952267.db2.gz XPLGEDIIGOOTFS-CYBMUJFWSA-N 1 2 349.887 3.124 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2nsc3ccccc23)C1 ZINC001033686798 1341952268 /nfs/dbraw/zinc/95/22/68/1341952268.db2.gz XPLGEDIIGOOTFS-CYBMUJFWSA-N 1 2 349.887 3.124 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc3oc(C)nc32)C1 ZINC001033694177 1341958366 /nfs/dbraw/zinc/95/83/66/1341958366.db2.gz KDSNGWXJJXLKFX-ZDUSSCGKSA-N 1 2 333.819 3.035 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3oc(C)nc32)C1 ZINC001033694177 1341958368 /nfs/dbraw/zinc/95/83/68/1341958368.db2.gz KDSNGWXJJXLKFX-ZDUSSCGKSA-N 1 2 333.819 3.035 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001033695297 1341960521 /nfs/dbraw/zinc/96/05/21/1341960521.db2.gz HWNOGZMSBGRSHK-DOMZBBRYSA-N 1 2 339.266 3.265 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001033695297 1341960523 /nfs/dbraw/zinc/96/05/23/1341960523.db2.gz HWNOGZMSBGRSHK-DOMZBBRYSA-N 1 2 339.266 3.265 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001033931641 1342096076 /nfs/dbraw/zinc/09/60/76/1342096076.db2.gz PDJGJENRBRENTM-XJKSGUPXSA-N 1 2 348.874 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001033931641 1342096082 /nfs/dbraw/zinc/09/60/82/1342096082.db2.gz PDJGJENRBRENTM-XJKSGUPXSA-N 1 2 348.874 3.471 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2c(C)nsc2C)C1 ZINC001034051908 1342193578 /nfs/dbraw/zinc/19/35/78/1342193578.db2.gz DIDKWFBUHJAKGZ-ZDUSSCGKSA-N 1 2 327.881 3.049 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2c(C)nsc2C)C1 ZINC001034051908 1342193580 /nfs/dbraw/zinc/19/35/80/1342193580.db2.gz DIDKWFBUHJAKGZ-ZDUSSCGKSA-N 1 2 327.881 3.049 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001034099606 1342236905 /nfs/dbraw/zinc/23/69/05/1342236905.db2.gz DCILBBJTJSFJBR-LSDHHAIUSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001034099606 1342236907 /nfs/dbraw/zinc/23/69/07/1342236907.db2.gz DCILBBJTJSFJBR-LSDHHAIUSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc3nc(C)oc3c2)C1 ZINC001034253446 1342349048 /nfs/dbraw/zinc/34/90/48/1342349048.db2.gz KBECGHCRXLZKIY-OAHLLOKOSA-N 1 2 347.846 3.473 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3nc(C)oc3c2)C1 ZINC001034253446 1342349052 /nfs/dbraw/zinc/34/90/52/1342349052.db2.gz KBECGHCRXLZKIY-OAHLLOKOSA-N 1 2 347.846 3.473 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cccnc2C2CC2)C1 ZINC001034288368 1342375041 /nfs/dbraw/zinc/37/50/41/1342375041.db2.gz JRVVSNYNFXHXDN-OAHLLOKOSA-N 1 2 333.863 3.296 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cccnc2C2CC2)C1 ZINC001034288368 1342375045 /nfs/dbraw/zinc/37/50/45/1342375045.db2.gz JRVVSNYNFXHXDN-OAHLLOKOSA-N 1 2 333.863 3.296 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cc(COC)cs2)C1 ZINC001034293522 1342377404 /nfs/dbraw/zinc/37/74/04/1342377404.db2.gz XMYHULXCMUZEPI-AWEZNQCLSA-N 1 2 342.892 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cc(COC)cs2)C1 ZINC001034293522 1342377407 /nfs/dbraw/zinc/37/74/07/1342377407.db2.gz XMYHULXCMUZEPI-AWEZNQCLSA-N 1 2 342.892 3.231 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@@H+]([C@H](C)c3nnc(CC)o3)C2)C1 ZINC001034389570 1342458716 /nfs/dbraw/zinc/45/87/16/1342458716.db2.gz RTWPRXSOMFWHSJ-CABCVRRESA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@H+]([C@H](C)c3nnc(CC)o3)C2)C1 ZINC001034389570 1342458719 /nfs/dbraw/zinc/45/87/19/1342458719.db2.gz RTWPRXSOMFWHSJ-CABCVRRESA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(F)cc2F)C1 ZINC001034513076 1342571629 /nfs/dbraw/zinc/57/16/29/1342571629.db2.gz UVQINIUGOXCRPY-ZDUSSCGKSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(F)cc2F)C1 ZINC001034513076 1342571632 /nfs/dbraw/zinc/57/16/32/1342571632.db2.gz UVQINIUGOXCRPY-ZDUSSCGKSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2Cc3cccc(C)c3O2)C1 ZINC001034563506 1342619081 /nfs/dbraw/zinc/61/90/81/1342619081.db2.gz JVCKHGYUNXGZKD-SJORKVTESA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2Cc3cccc(C)c3O2)C1 ZINC001034563506 1342619086 /nfs/dbraw/zinc/61/90/86/1342619086.db2.gz JVCKHGYUNXGZKD-SJORKVTESA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001035616684 1343102674 /nfs/dbraw/zinc/10/26/74/1343102674.db2.gz LZRPYUYOGDKPLG-APWZRJJASA-N 1 2 330.472 3.207 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001035616684 1343102677 /nfs/dbraw/zinc/10/26/77/1343102677.db2.gz LZRPYUYOGDKPLG-APWZRJJASA-N 1 2 330.472 3.207 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC2(C[NH+](Cc3nc(C)cs3)C2)CC1 ZINC001035782579 1343193450 /nfs/dbraw/zinc/19/34/50/1343193450.db2.gz OSNAGSJMLDABDG-GOSISDBHSA-N 1 2 347.528 3.478 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1c[nH]cc1C1CC1)CC2 ZINC001035828354 1343217268 /nfs/dbraw/zinc/21/72/68/1343217268.db2.gz QNYRSPBYPDAAJL-UHFFFAOYSA-N 1 2 333.863 3.183 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1occ3c1CCCC3)CC2 ZINC001035844639 1343226057 /nfs/dbraw/zinc/22/60/57/1343226057.db2.gz SGGFDOVXOCBEFC-UHFFFAOYSA-N 1 2 348.874 3.449 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC3CCC1CC3)CC2 ZINC001035858308 1343234609 /nfs/dbraw/zinc/23/46/09/1343234609.db2.gz UAMRPGFKJZJYGN-JCYILVPMSA-N 1 2 336.907 3.490 20 30 EGEDLO CC1(C)C(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)c(F)c2)C1(C)C ZINC001038141389 1344295221 /nfs/dbraw/zinc/29/52/21/1344295221.db2.gz PMZGAABVRGWBMJ-OAHLLOKOSA-N 1 2 343.446 3.070 20 30 EGEDLO CC1(C)C(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)c(F)c2)C1(C)C ZINC001038141389 1344295226 /nfs/dbraw/zinc/29/52/26/1344295226.db2.gz PMZGAABVRGWBMJ-OAHLLOKOSA-N 1 2 343.446 3.070 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc3c(o2)CCCC3)c1 ZINC001038329248 1344382502 /nfs/dbraw/zinc/38/25/02/1344382502.db2.gz BRIAXQGVSOADMA-GOSISDBHSA-N 1 2 349.434 3.034 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc3c(o2)CCCC3)c1 ZINC001038329248 1344382506 /nfs/dbraw/zinc/38/25/06/1344382506.db2.gz BRIAXQGVSOADMA-GOSISDBHSA-N 1 2 349.434 3.034 20 30 EGEDLO CCc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)s1 ZINC001038490765 1344449616 /nfs/dbraw/zinc/44/96/16/1344449616.db2.gz CFMSHZPZEAIDLD-MRXNPFEDSA-N 1 2 339.464 3.186 20 30 EGEDLO CCc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)s1 ZINC001038490765 1344449618 /nfs/dbraw/zinc/44/96/18/1344449618.db2.gz CFMSHZPZEAIDLD-MRXNPFEDSA-N 1 2 339.464 3.186 20 30 EGEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1CCCCC1(F)F ZINC001038551703 1344480862 /nfs/dbraw/zinc/48/08/62/1344480862.db2.gz BNPFINPZMCUPGD-ROUUACIJSA-N 1 2 346.421 3.054 20 30 EGEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1CCCCC1(F)F ZINC001038551703 1344480866 /nfs/dbraw/zinc/48/08/66/1344480866.db2.gz BNPFINPZMCUPGD-ROUUACIJSA-N 1 2 346.421 3.054 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccc3[nH]ccc3c2)c1 ZINC001038643258 1344518820 /nfs/dbraw/zinc/51/88/20/1344518820.db2.gz YNFMCGPYOGKYSM-LJQANCHMSA-N 1 2 344.418 3.044 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccc3[nH]ccc3c2)c1 ZINC001038643258 1344518822 /nfs/dbraw/zinc/51/88/22/1344518822.db2.gz YNFMCGPYOGKYSM-LJQANCHMSA-N 1 2 344.418 3.044 20 30 EGEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)c1cccc2cc[nH]c21 ZINC001038727861 1344553747 /nfs/dbraw/zinc/55/37/47/1344553747.db2.gz UKZMZUBOOPUCOD-LJQANCHMSA-N 1 2 343.430 3.024 20 30 EGEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)c1cccc2cc[nH]c21 ZINC001038727861 1344553748 /nfs/dbraw/zinc/55/37/48/1344553748.db2.gz UKZMZUBOOPUCOD-LJQANCHMSA-N 1 2 343.430 3.024 20 30 EGEDLO Cc1ccc(C)c(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)c1 ZINC001038964222 1344685771 /nfs/dbraw/zinc/68/57/71/1344685771.db2.gz QXEKAAYVJGMRPX-OAHLLOKOSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1ccc(C)c(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)c1 ZINC001038964222 1344685776 /nfs/dbraw/zinc/68/57/76/1344685776.db2.gz QXEKAAYVJGMRPX-OAHLLOKOSA-N 1 2 339.464 3.241 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)ccc1F ZINC001039387247 1345039580 /nfs/dbraw/zinc/03/95/80/1345039580.db2.gz ZIGNFPMKSMWVSM-KGLIPLIRSA-N 1 2 340.801 3.396 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)ccc1F ZINC001039387247 1345039581 /nfs/dbraw/zinc/03/95/81/1345039581.db2.gz ZIGNFPMKSMWVSM-KGLIPLIRSA-N 1 2 340.801 3.396 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COC1CCCCC1 ZINC001039397707 1345045844 /nfs/dbraw/zinc/04/58/44/1345045844.db2.gz VUHNQSRCSSBELP-CVEARBPZSA-N 1 2 340.895 3.154 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COC1CCCCC1 ZINC001039397707 1345045850 /nfs/dbraw/zinc/04/58/50/1345045850.db2.gz VUHNQSRCSSBELP-CVEARBPZSA-N 1 2 340.895 3.154 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(C)C ZINC001039446501 1345071351 /nfs/dbraw/zinc/07/13/51/1345071351.db2.gz IMKMIFJIYAPYGY-ZNMIVQPWSA-N 1 2 343.309 3.252 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(C)C ZINC001039446501 1345071353 /nfs/dbraw/zinc/07/13/53/1345071353.db2.gz IMKMIFJIYAPYGY-ZNMIVQPWSA-N 1 2 343.309 3.252 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)nc1C ZINC001039474193 1345089298 /nfs/dbraw/zinc/08/92/98/1345089298.db2.gz WKYSRBHEIHUGJT-CVEARBPZSA-N 1 2 333.863 3.130 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)nc1C ZINC001039474193 1345089299 /nfs/dbraw/zinc/08/92/99/1345089299.db2.gz WKYSRBHEIHUGJT-CVEARBPZSA-N 1 2 333.863 3.130 20 30 EGEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H](C)c1ccccc1F ZINC001039527710 1345130755 /nfs/dbraw/zinc/13/07/55/1345130755.db2.gz ALXZAQDWCOOSDW-YHUYYLMFSA-N 1 2 329.419 3.112 20 30 EGEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H](C)c1ccccc1F ZINC001039527710 1345130758 /nfs/dbraw/zinc/13/07/58/1345130758.db2.gz ALXZAQDWCOOSDW-YHUYYLMFSA-N 1 2 329.419 3.112 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)N(c3nc(C)[nH+]c(C)c3C)C2)C1 ZINC001039802523 1345192262 /nfs/dbraw/zinc/19/22/62/1345192262.db2.gz SVJRYLINEPXNIA-SUMWQHHRSA-N 1 2 342.487 3.232 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1oc(C)nc1C ZINC001039896304 1345238836 /nfs/dbraw/zinc/23/88/36/1345238836.db2.gz ISNKANLZALNAEK-QKLQHJQFSA-N 1 2 345.487 3.459 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1oc(C)nc1C ZINC001039896304 1345238837 /nfs/dbraw/zinc/23/88/37/1345238837.db2.gz ISNKANLZALNAEK-QKLQHJQFSA-N 1 2 345.487 3.459 20 30 EGEDLO Cc1c[nH]cc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001040001603 1345284850 /nfs/dbraw/zinc/28/48/50/1345284850.db2.gz PXCYZUSPLGRLJC-KDURUIRLSA-N 1 2 348.450 3.074 20 30 EGEDLO Cc1c[nH]cc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001040001603 1345284857 /nfs/dbraw/zinc/28/48/57/1345284857.db2.gz PXCYZUSPLGRLJC-KDURUIRLSA-N 1 2 348.450 3.074 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC2(C1)CC[NH+]([C@@H](C)c1csnn1)CC2 ZINC001040801489 1345579394 /nfs/dbraw/zinc/57/93/94/1345579394.db2.gz VJMRLWUZJQNYEY-AWEZNQCLSA-N 1 2 348.516 3.126 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3)C[C@H]21 ZINC001041909598 1345892993 /nfs/dbraw/zinc/89/29/93/1345892993.db2.gz KLESTILZFYHZED-GDBMZVCRSA-N 1 2 349.272 3.132 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3)C[C@H]21 ZINC001041909598 1345892994 /nfs/dbraw/zinc/89/29/94/1345892994.db2.gz KLESTILZFYHZED-GDBMZVCRSA-N 1 2 349.272 3.132 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2CCN(C(=O)C3(CC)CC3)C[C@@H]21 ZINC001042220755 1345991809 /nfs/dbraw/zinc/99/18/09/1345991809.db2.gz FEGNLBLRYFSSTQ-KBPBESRZSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CCN(C(=O)C3(CC)CC3)C[C@@H]21 ZINC001042220755 1345991812 /nfs/dbraw/zinc/99/18/12/1345991812.db2.gz FEGNLBLRYFSSTQ-KBPBESRZSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)CCCCC)CC[C@@H]1C ZINC001131825951 1373824569 /nfs/dbraw/zinc/82/45/69/1373824569.db2.gz MOXSWBFDUCPENV-UONOGXRCSA-N 1 2 331.298 3.444 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)CCCCC)CC[C@@H]1C ZINC001131825951 1373824575 /nfs/dbraw/zinc/82/45/75/1373824575.db2.gz MOXSWBFDUCPENV-UONOGXRCSA-N 1 2 331.298 3.444 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[NH2+]Cc2nc(C(C)C)no2)CC1 ZINC001045181908 1346517076 /nfs/dbraw/zinc/51/70/76/1346517076.db2.gz FZLAGQJMJNTIOM-INIZCTEOSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1coc(C)n1 ZINC001045825284 1346709415 /nfs/dbraw/zinc/70/94/15/1346709415.db2.gz VNXXNWYDXZATRL-SJORKVTESA-N 1 2 331.460 3.151 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1coc(C)n1 ZINC001045825284 1346709416 /nfs/dbraw/zinc/70/94/16/1346709416.db2.gz VNXXNWYDXZATRL-SJORKVTESA-N 1 2 331.460 3.151 20 30 EGEDLO C[C@]1(NC(=O)C2CCCC2)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001046098680 1346838673 /nfs/dbraw/zinc/83/86/73/1346838673.db2.gz ZNVLHGWQZYYLPI-FQEVSTJZSA-N 1 2 344.886 3.462 20 30 EGEDLO C[C@]1(NC(=O)C2CCCC2)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001046098680 1346838677 /nfs/dbraw/zinc/83/86/77/1346838677.db2.gz ZNVLHGWQZYYLPI-FQEVSTJZSA-N 1 2 344.886 3.462 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3cc(C)ccc3O2)C1 ZINC001046484477 1346991528 /nfs/dbraw/zinc/99/15/28/1346991528.db2.gz LDVWTRKCKJFAKF-HKUYNNGSSA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3cc(C)ccc3O2)C1 ZINC001046484477 1346991530 /nfs/dbraw/zinc/99/15/30/1346991530.db2.gz LDVWTRKCKJFAKF-HKUYNNGSSA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001046551941 1347012863 /nfs/dbraw/zinc/01/28/63/1347012863.db2.gz QDDWHCPMQKSEON-XJKSGUPXSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001046551941 1347012865 /nfs/dbraw/zinc/01/28/65/1347012865.db2.gz QDDWHCPMQKSEON-XJKSGUPXSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(Cl)c(F)c2)C1 ZINC001046645811 1347047946 /nfs/dbraw/zinc/04/79/46/1347047946.db2.gz HQXJMWIYEOEDTI-HNNXBMFYSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(Cl)c(F)c2)C1 ZINC001046645811 1347047949 /nfs/dbraw/zinc/04/79/49/1347047949.db2.gz HQXJMWIYEOEDTI-HNNXBMFYSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(F)cc3cccnc32)C1 ZINC001046670202 1347056922 /nfs/dbraw/zinc/05/69/22/1347056922.db2.gz CMFMGWCCWXWYBN-GOSISDBHSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(F)cc3cccnc32)C1 ZINC001046670202 1347056923 /nfs/dbraw/zinc/05/69/23/1347056923.db2.gz CMFMGWCCWXWYBN-GOSISDBHSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(-c3cn[nH]c3)cc2)C1 ZINC001046699922 1347066155 /nfs/dbraw/zinc/06/61/55/1347066155.db2.gz TWJKSLNZVXLPAN-SFHVURJKSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(-c3cn[nH]c3)cc2)C1 ZINC001046699922 1347066156 /nfs/dbraw/zinc/06/61/56/1347066156.db2.gz TWJKSLNZVXLPAN-SFHVURJKSA-N 1 2 344.846 3.023 20 30 EGEDLO C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)C(F)C(F)(F)F)C2)CC1 ZINC001047240494 1347266376 /nfs/dbraw/zinc/26/63/76/1347266376.db2.gz DLQCEIDVUSPTNH-ZIAGYGMSSA-N 1 2 336.373 3.023 20 30 EGEDLO C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](F)C(F)(F)F)C2)CC1 ZINC001047240494 1347266378 /nfs/dbraw/zinc/26/63/78/1347266378.db2.gz DLQCEIDVUSPTNH-ZIAGYGMSSA-N 1 2 336.373 3.023 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CCC1 ZINC001049277911 1347765733 /nfs/dbraw/zinc/76/57/33/1347765733.db2.gz YJZDULKXWYCXNK-RBUKOAKNSA-N 1 2 341.430 3.063 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CCC1 ZINC001049277911 1347765734 /nfs/dbraw/zinc/76/57/34/1347765734.db2.gz YJZDULKXWYCXNK-RBUKOAKNSA-N 1 2 341.430 3.063 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1 ZINC001049297430 1347777977 /nfs/dbraw/zinc/77/79/77/1347777977.db2.gz KGQGJZVEOBQAFV-CVEARBPZSA-N 1 2 349.272 3.274 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1 ZINC001049297430 1347777978 /nfs/dbraw/zinc/77/79/78/1347777978.db2.gz KGQGJZVEOBQAFV-CVEARBPZSA-N 1 2 349.272 3.274 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1sccc1F ZINC001049447461 1347853879 /nfs/dbraw/zinc/85/38/79/1347853879.db2.gz NXUYYFYQWIQANK-STQMWFEESA-N 1 2 328.840 3.319 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1sccc1F ZINC001049447461 1347853882 /nfs/dbraw/zinc/85/38/82/1347853882.db2.gz NXUYYFYQWIQANK-STQMWFEESA-N 1 2 328.840 3.319 20 30 EGEDLO CC1(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3Cc2cc(F)ccc2C#N)CC1 ZINC001049489888 1347873860 /nfs/dbraw/zinc/87/38/60/1347873860.db2.gz HZWLUSAUXHUREZ-ZWKOTPCHSA-N 1 2 341.430 3.063 20 30 EGEDLO CC1(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3Cc2cc(F)ccc2C#N)CC1 ZINC001049489888 1347873866 /nfs/dbraw/zinc/87/38/66/1347873866.db2.gz HZWLUSAUXHUREZ-ZWKOTPCHSA-N 1 2 341.430 3.063 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc(C)on1 ZINC001049635467 1347946419 /nfs/dbraw/zinc/94/64/19/1347946419.db2.gz VCEWPAPXASXRBJ-SJORKVTESA-N 1 2 331.460 3.151 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(C)on1 ZINC001049635467 1347946420 /nfs/dbraw/zinc/94/64/20/1347946420.db2.gz VCEWPAPXASXRBJ-SJORKVTESA-N 1 2 331.460 3.151 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ocnc1C(F)F ZINC001049720980 1347989893 /nfs/dbraw/zinc/98/98/93/1347989893.db2.gz VKOAPCOAWGGBJI-QWRGUYRKSA-N 1 2 345.777 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ocnc1C(F)F ZINC001049720980 1347989896 /nfs/dbraw/zinc/98/98/96/1347989896.db2.gz VKOAPCOAWGGBJI-QWRGUYRKSA-N 1 2 345.777 3.044 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1nc(C)c(C)s1 ZINC001049898754 1348099613 /nfs/dbraw/zinc/09/96/13/1348099613.db2.gz DFXBFPNBUBBAPR-KGLIPLIRSA-N 1 2 339.892 3.191 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1nc(C)c(C)s1 ZINC001049898754 1348099617 /nfs/dbraw/zinc/09/96/17/1348099617.db2.gz DFXBFPNBUBBAPR-KGLIPLIRSA-N 1 2 339.892 3.191 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c(C)nsc1C ZINC001049919079 1348112420 /nfs/dbraw/zinc/11/24/20/1348112420.db2.gz TZDTXFUDDTUJMC-UONOGXRCSA-N 1 2 339.892 3.191 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c(C)nsc1C ZINC001049919079 1348112421 /nfs/dbraw/zinc/11/24/21/1348112421.db2.gz TZDTXFUDDTUJMC-UONOGXRCSA-N 1 2 339.892 3.191 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc2ccccc2s1 ZINC001051007441 1348382408 /nfs/dbraw/zinc/38/24/08/1348382408.db2.gz JKNFTDKTCFRMPK-INIZCTEOSA-N 1 2 344.480 3.298 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc2ccccc2s1 ZINC001051007441 1348382410 /nfs/dbraw/zinc/38/24/10/1348382410.db2.gz JKNFTDKTCFRMPK-INIZCTEOSA-N 1 2 344.480 3.298 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(Cl)cc(Cl)c1 ZINC001051224741 1348406153 /nfs/dbraw/zinc/40/61/53/1348406153.db2.gz ZWVQPSLMVXWALN-HNNXBMFYSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(Cl)cc(Cl)c1 ZINC001051224741 1348406155 /nfs/dbraw/zinc/40/61/55/1348406155.db2.gz ZWVQPSLMVXWALN-HNNXBMFYSA-N 1 2 343.254 3.000 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc2cccc(C)c2o1 ZINC001051254571 1348409839 /nfs/dbraw/zinc/40/98/39/1348409839.db2.gz KAIICYGMYKPGLQ-KRWDZBQOSA-N 1 2 342.439 3.138 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc2cccc(C)c2o1 ZINC001051254571 1348409840 /nfs/dbraw/zinc/40/98/40/1348409840.db2.gz KAIICYGMYKPGLQ-KRWDZBQOSA-N 1 2 342.439 3.138 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)c3ncoc3C)cccc2C1 ZINC001051280223 1348416145 /nfs/dbraw/zinc/41/61/45/1348416145.db2.gz QZVVYWCDFWILNU-UHFFFAOYSA-N 1 2 345.830 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)c3ncoc3C)cccc2C1 ZINC001051280223 1348416147 /nfs/dbraw/zinc/41/61/47/1348416147.db2.gz QZVVYWCDFWILNU-UHFFFAOYSA-N 1 2 345.830 3.024 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCOC2(C[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC001053370558 1349012393 /nfs/dbraw/zinc/01/23/93/1349012393.db2.gz LMGTVWGDGPMLJU-KRWDZBQOSA-N 1 2 342.483 3.263 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)C1[C@H]3CCCCCC[C@H]13)O2 ZINC001053668073 1349089922 /nfs/dbraw/zinc/08/99/22/1349089922.db2.gz IKYWQBDHEOMVJI-SQNIBIBYSA-N 1 2 346.515 3.129 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C)c(Cl)cc1C)CO2 ZINC001053891237 1349121600 /nfs/dbraw/zinc/12/16/00/1349121600.db2.gz QNDJMWMNGIBABW-OAHLLOKOSA-N 1 2 348.874 3.106 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CCCCC1(C)C)CO2 ZINC001054023990 1349131269 /nfs/dbraw/zinc/13/12/69/1349131269.db2.gz FRWAWMDIMMXCFR-SJORKVTESA-N 1 2 334.504 3.129 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccn(C(C)C)c1C ZINC001054049639 1349139513 /nfs/dbraw/zinc/13/95/13/1349139513.db2.gz DIOPFTWQURWVQP-FQEVSTJZSA-N 1 2 349.478 3.167 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccn(C(C)C)c1C ZINC001054049639 1349139514 /nfs/dbraw/zinc/13/95/14/1349139514.db2.gz DIOPFTWQURWVQP-FQEVSTJZSA-N 1 2 349.478 3.167 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cn(C)c4ccccc34)cc2C1 ZINC001054272750 1349272460 /nfs/dbraw/zinc/27/24/60/1349272460.db2.gz CDIOYJGJZVCYNC-UHFFFAOYSA-N 1 2 343.430 3.057 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cn(C)c4ccccc34)cc2C1 ZINC001054272750 1349272462 /nfs/dbraw/zinc/27/24/62/1349272462.db2.gz CDIOYJGJZVCYNC-UHFFFAOYSA-N 1 2 343.430 3.057 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@H](N(C)c3cc(C)[nH+]c(C(C)C)n3)C2)C1 ZINC001057023674 1349976732 /nfs/dbraw/zinc/97/67/32/1349976732.db2.gz GDUHRTOKCPXLFN-INIZCTEOSA-N 1 2 342.487 3.302 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H](Nc3cc(C)[nH+]c(C4CC4)n3)C2)C1 ZINC001059399882 1350462727 /nfs/dbraw/zinc/46/27/27/1350462727.db2.gz RBGLJWHNHOWVKB-SHTZXODSSA-N 1 2 326.444 3.078 20 30 EGEDLO C=C1CCC(C(=O)NC2CCC(Nc3cc[nH+]c(C)n3)CC2)CC1 ZINC001060620582 1351030994 /nfs/dbraw/zinc/03/09/94/1351030994.db2.gz PWTLTMFVMRWJCA-UHFFFAOYSA-N 1 2 328.460 3.371 20 30 EGEDLO Cc1cc(N[C@@H](C)C2CCN(C(=O)[C@@H](C)C#N)CC2)nc(C(C)C)[nH+]1 ZINC001061827850 1351374756 /nfs/dbraw/zinc/37/47/56/1351374756.db2.gz WYJZWJQKWVMZGG-ZFWWWQNUSA-N 1 2 343.475 3.107 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c(Cl)cncc2Cl)C1 ZINC001080383774 1357597115 /nfs/dbraw/zinc/59/71/15/1357597115.db2.gz WUCTZASELNXJEE-PRHODGIISA-N 1 2 348.661 3.191 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c(Cl)cncc2Cl)C1 ZINC001080383774 1357597118 /nfs/dbraw/zinc/59/71/18/1357597118.db2.gz WUCTZASELNXJEE-PRHODGIISA-N 1 2 348.661 3.191 20 30 EGEDLO C=C1CCC(C(=O)NC2(C)CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC001065102594 1352739961 /nfs/dbraw/zinc/73/99/61/1352739961.db2.gz CQRJXGYPNGAQQX-UHFFFAOYSA-N 1 2 328.460 3.007 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC(N(C)c2nc(C)[nH+]c(C)c2C)CC1 ZINC001068721357 1353766487 /nfs/dbraw/zinc/76/64/87/1353766487.db2.gz IHNHTQJPLMIHOK-HXUWFJFHSA-N 1 2 344.503 3.431 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)C(C)(C)C(=C)C)C[C@@H](C)O2 ZINC001071199667 1354500426 /nfs/dbraw/zinc/50/04/26/1354500426.db2.gz ONDMBWCOAMTDNE-QAPCUYQASA-N 1 2 340.895 3.033 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C(C)(C)C(=C)C)C[C@@H](C)O2 ZINC001071199667 1354500428 /nfs/dbraw/zinc/50/04/28/1354500428.db2.gz ONDMBWCOAMTDNE-QAPCUYQASA-N 1 2 340.895 3.033 20 30 EGEDLO Cc1cncc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001071409347 1354673736 /nfs/dbraw/zinc/67/37/36/1354673736.db2.gz VPGVHZRRJLPWSL-UZLBHIALSA-N 1 2 348.450 3.045 20 30 EGEDLO Cc1cncc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001071409347 1354673741 /nfs/dbraw/zinc/67/37/41/1354673741.db2.gz VPGVHZRRJLPWSL-UZLBHIALSA-N 1 2 348.450 3.045 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2CC23CC3)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088880866 1360087589 /nfs/dbraw/zinc/08/75/89/1360087589.db2.gz SUCLACVQRWHBHY-KYJSFNMBSA-N 1 2 342.870 3.071 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2CC23CC3)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088880866 1360087592 /nfs/dbraw/zinc/08/75/92/1360087592.db2.gz SUCLACVQRWHBHY-KYJSFNMBSA-N 1 2 342.870 3.071 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cccc(COC)c2)CC[C@@H]1C ZINC001071658688 1354832020 /nfs/dbraw/zinc/83/20/20/1354832020.db2.gz GJSYIUBIZFSMJG-YOEHRIQHSA-N 1 2 336.863 3.168 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cccc(COC)c2)CC[C@@H]1C ZINC001071658688 1354832029 /nfs/dbraw/zinc/83/20/29/1354832029.db2.gz GJSYIUBIZFSMJG-YOEHRIQHSA-N 1 2 336.863 3.168 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2nc(Cl)sc2C)CC[C@@H]1C ZINC001071675522 1354842400 /nfs/dbraw/zinc/84/24/00/1354842400.db2.gz FFTHTYLGEXBLAS-ONGXEEELSA-N 1 2 348.299 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2nc(Cl)sc2C)CC[C@@H]1C ZINC001071675522 1354842404 /nfs/dbraw/zinc/84/24/04/1354842404.db2.gz FFTHTYLGEXBLAS-ONGXEEELSA-N 1 2 348.299 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cccc(F)c2F)CC[C@H]1C ZINC001071775651 1354921698 /nfs/dbraw/zinc/92/16/98/1354921698.db2.gz GFZQVUCZJKTKHR-NEPJUHHUSA-N 1 2 328.790 3.300 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cccc(F)c2F)CC[C@H]1C ZINC001071775651 1354921703 /nfs/dbraw/zinc/92/17/03/1354921703.db2.gz GFZQVUCZJKTKHR-NEPJUHHUSA-N 1 2 328.790 3.300 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3cc(C)on3)C2)CC1 ZINC001071789891 1354935702 /nfs/dbraw/zinc/93/57/02/1354935702.db2.gz ZWTUTFJWWTWFCY-PBHICJAKSA-N 1 2 331.460 3.199 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3cc(C)on3)C2)CC1 ZINC001071789891 1354935706 /nfs/dbraw/zinc/93/57/06/1354935706.db2.gz ZWTUTFJWWTWFCY-PBHICJAKSA-N 1 2 331.460 3.199 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3coc(C)n3)C2)CC1 ZINC001071794580 1354939442 /nfs/dbraw/zinc/93/94/42/1354939442.db2.gz CZCYLHBOAZJTHD-RHSMWYFYSA-N 1 2 331.460 3.199 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3coc(C)n3)C2)CC1 ZINC001071794580 1354939448 /nfs/dbraw/zinc/93/94/48/1354939448.db2.gz CZCYLHBOAZJTHD-RHSMWYFYSA-N 1 2 331.460 3.199 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3nc(C)oc3C)C2)C1 ZINC001071807352 1354952324 /nfs/dbraw/zinc/95/23/24/1354952324.db2.gz QYPMZYZBWMTTKL-CJNGLKHVSA-N 1 2 331.460 3.117 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3nc(C)oc3C)C2)C1 ZINC001071807352 1354952328 /nfs/dbraw/zinc/95/23/28/1354952328.db2.gz QYPMZYZBWMTTKL-CJNGLKHVSA-N 1 2 331.460 3.117 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2ccsc2C)CC[C@@H]1C ZINC001071870726 1354996172 /nfs/dbraw/zinc/99/61/72/1354996172.db2.gz CNNXPPJBSNTNDT-WFASDCNBSA-N 1 2 326.893 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2ccsc2C)CC[C@@H]1C ZINC001071870726 1354996175 /nfs/dbraw/zinc/99/61/75/1354996175.db2.gz CNNXPPJBSNTNDT-WFASDCNBSA-N 1 2 326.893 3.321 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc3[nH]c(C)nc3c2)CC[C@H]1C ZINC001071937691 1355034530 /nfs/dbraw/zinc/03/45/30/1355034530.db2.gz GBEXTYRISYXTDU-DOMZBBRYSA-N 1 2 346.862 3.207 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc3[nH]c(C)nc3c2)CC[C@H]1C ZINC001071937691 1355034533 /nfs/dbraw/zinc/03/45/33/1355034533.db2.gz GBEXTYRISYXTDU-DOMZBBRYSA-N 1 2 346.862 3.207 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2csc(Cl)n2)CC[C@@H]1C ZINC001071966726 1355048897 /nfs/dbraw/zinc/04/88/97/1355048897.db2.gz HKHYVSLWFVPWCH-VHSXEESVSA-N 1 2 334.272 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2csc(Cl)n2)CC[C@@H]1C ZINC001071966726 1355048898 /nfs/dbraw/zinc/04/88/98/1355048898.db2.gz HKHYVSLWFVPWCH-VHSXEESVSA-N 1 2 334.272 3.132 20 30 EGEDLO CC#CC[N@@H+]1C[C@H](NC(=O)c2cnc(-c3ccco3)s2)CC[C@@H]1C ZINC001072011837 1355075817 /nfs/dbraw/zinc/07/58/17/1355075817.db2.gz DJQHSCLPXTUNRX-UONOGXRCSA-N 1 2 343.452 3.009 20 30 EGEDLO CC#CC[N@H+]1C[C@H](NC(=O)c2cnc(-c3ccco3)s2)CC[C@@H]1C ZINC001072011837 1355075821 /nfs/dbraw/zinc/07/58/21/1355075821.db2.gz DJQHSCLPXTUNRX-UONOGXRCSA-N 1 2 343.452 3.009 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C(C)(C)C)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC001072016156 1355079747 /nfs/dbraw/zinc/07/97/47/1355079747.db2.gz NFJFHFGWZNUXSP-CJNGLKHVSA-N 1 2 331.435 3.213 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C(C)(C)C)C[N@H+]1Cc1cc(C#N)ccc1F ZINC001072016156 1355079752 /nfs/dbraw/zinc/07/97/52/1355079752.db2.gz NFJFHFGWZNUXSP-CJNGLKHVSA-N 1 2 331.435 3.213 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001094710282 1361897884 /nfs/dbraw/zinc/89/78/84/1361897884.db2.gz JWPDGDYZZFIFIU-AWEZNQCLSA-N 1 2 330.476 3.184 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CCCCCCC3)C[C@@H]21 ZINC001074291085 1356156349 /nfs/dbraw/zinc/15/63/49/1356156349.db2.gz FBHJOCPJMBLEFA-RBUKOAKNSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C3CCCCCCC3)C[C@@H]21 ZINC001074291085 1356156351 /nfs/dbraw/zinc/15/63/51/1356156351.db2.gz FBHJOCPJMBLEFA-RBUKOAKNSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccccc3CCC)C[C@@H]21 ZINC001074293994 1356157624 /nfs/dbraw/zinc/15/76/24/1356157624.db2.gz HCCOXMCWVDEOOV-VQTJNVASSA-N 1 2 342.483 3.131 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccccc3CCC)C[C@@H]21 ZINC001074293994 1356157626 /nfs/dbraw/zinc/15/76/26/1356157626.db2.gz HCCOXMCWVDEOOV-VQTJNVASSA-N 1 2 342.483 3.131 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(Cl)ccc3C)C[C@@H]21 ZINC001074356169 1356181499 /nfs/dbraw/zinc/18/14/99/1356181499.db2.gz FOGVVVROHLSPRQ-ZWKOTPCHSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(Cl)ccc3C)C[C@@H]21 ZINC001074356169 1356181500 /nfs/dbraw/zinc/18/15/00/1356181500.db2.gz FOGVVVROHLSPRQ-ZWKOTPCHSA-N 1 2 348.874 3.140 20 30 EGEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(C)c(CC)s3)C[C@@H]21 ZINC001074399546 1356194738 /nfs/dbraw/zinc/19/47/38/1356194738.db2.gz GQRDGHPIPTYGSH-HOTGVXAUSA-N 1 2 348.512 3.110 20 30 EGEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(C)c(CC)s3)C[C@@H]21 ZINC001074399546 1356194740 /nfs/dbraw/zinc/19/47/40/1356194740.db2.gz GQRDGHPIPTYGSH-HOTGVXAUSA-N 1 2 348.512 3.110 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc(C4CC4)c3)C[C@@H]21 ZINC001074415792 1356197215 /nfs/dbraw/zinc/19/72/15/1356197215.db2.gz WZYTXANLIKVRMN-PMACEKPBSA-N 1 2 340.467 3.055 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc(C4CC4)c3)C[C@@H]21 ZINC001074415792 1356197216 /nfs/dbraw/zinc/19/72/16/1356197216.db2.gz WZYTXANLIKVRMN-PMACEKPBSA-N 1 2 340.467 3.055 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(N(CC)CC)cc2)C1 ZINC001080839929 1357751592 /nfs/dbraw/zinc/75/15/92/1357751592.db2.gz HOUBAYATJKYBRL-RDTXWAMCSA-N 1 2 349.906 3.335 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(N(CC)CC)cc2)C1 ZINC001080839929 1357751602 /nfs/dbraw/zinc/75/16/02/1357751602.db2.gz HOUBAYATJKYBRL-RDTXWAMCSA-N 1 2 349.906 3.335 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2coc3ccc(F)cc23)C1 ZINC001080856201 1357754076 /nfs/dbraw/zinc/75/40/76/1357754076.db2.gz VJKOGZMJHUIWBS-MEBBXXQBSA-N 1 2 336.794 3.375 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2coc3ccc(F)cc23)C1 ZINC001080856201 1357754079 /nfs/dbraw/zinc/75/40/79/1357754079.db2.gz VJKOGZMJHUIWBS-MEBBXXQBSA-N 1 2 336.794 3.375 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4ccncc43)[C@@H]2C1 ZINC001084751298 1358300723 /nfs/dbraw/zinc/30/07/23/1358300723.db2.gz FUOCTOYZVXQGLT-CRAIPNDOSA-N 1 2 341.842 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4ccncc43)[C@@H]2C1 ZINC001084751298 1358300726 /nfs/dbraw/zinc/30/07/26/1358300726.db2.gz FUOCTOYZVXQGLT-CRAIPNDOSA-N 1 2 341.842 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3sc(C)cc3C)[C@@H]2C1 ZINC001084801667 1358314327 /nfs/dbraw/zinc/31/43/27/1358314327.db2.gz LGPIWIDLPXVMJQ-HUUCEWRRSA-N 1 2 338.904 3.193 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3sc(C)cc3C)[C@@H]2C1 ZINC001084801667 1358314328 /nfs/dbraw/zinc/31/43/28/1358314328.db2.gz LGPIWIDLPXVMJQ-HUUCEWRRSA-N 1 2 338.904 3.193 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)C3CCC=CCC3)[C@@H]2C1 ZINC001084837225 1358324590 /nfs/dbraw/zinc/32/45/90/1358324590.db2.gz FQDCBUUWVKPVOV-NHCUHLMSSA-N 1 2 349.478 3.337 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)C3CCC=CCC3)[C@@H]2C1 ZINC001084837225 1358324593 /nfs/dbraw/zinc/32/45/93/1358324593.db2.gz FQDCBUUWVKPVOV-NHCUHLMSSA-N 1 2 349.478 3.337 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1CC=CCC1 ZINC001085480551 1358531883 /nfs/dbraw/zinc/53/18/83/1358531883.db2.gz OIUXWSVFAQEBHH-CABCVRRESA-N 1 2 329.469 3.009 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1CC=CCC1 ZINC001085480551 1358531885 /nfs/dbraw/zinc/53/18/85/1358531885.db2.gz OIUXWSVFAQEBHH-CABCVRRESA-N 1 2 329.469 3.009 20 30 EGEDLO CC1CC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC#Cc2ccc(Cl)cc2)C1 ZINC001085540773 1358579809 /nfs/dbraw/zinc/57/98/09/1358579809.db2.gz GFRZBHIUPYDQLW-KVWWFHCMSA-N 1 2 344.886 3.270 20 30 EGEDLO CC1CC(C(=O)N(C)C[C@@H]2CC[N@H+]2CC#Cc2ccc(Cl)cc2)C1 ZINC001085540773 1358579811 /nfs/dbraw/zinc/57/98/11/1358579811.db2.gz GFRZBHIUPYDQLW-KVWWFHCMSA-N 1 2 344.886 3.270 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)C1=CCCCCC1 ZINC001085564054 1358596885 /nfs/dbraw/zinc/59/68/85/1358596885.db2.gz COSBXSJAAXKYLB-NRFANRHFSA-N 1 2 336.479 3.461 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)C1=CCCCCC1 ZINC001085564054 1358596897 /nfs/dbraw/zinc/59/68/97/1358596897.db2.gz COSBXSJAAXKYLB-NRFANRHFSA-N 1 2 336.479 3.461 20 30 EGEDLO C=CCn1cccc1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccccc1F ZINC001085641190 1358655439 /nfs/dbraw/zinc/65/54/39/1358655439.db2.gz GTKPOAXNCUPCDK-QGZVFWFLSA-N 1 2 341.430 3.160 20 30 EGEDLO C=CCn1cccc1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccccc1F ZINC001085641190 1358655440 /nfs/dbraw/zinc/65/54/40/1358655440.db2.gz GTKPOAXNCUPCDK-QGZVFWFLSA-N 1 2 341.430 3.160 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1CCCC12CC2 ZINC001085667430 1358671455 /nfs/dbraw/zinc/67/14/55/1358671455.db2.gz HWGJPDSVMJCXHV-PBHICJAKSA-N 1 2 343.496 3.233 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1CCCC12CC2 ZINC001085667430 1358671460 /nfs/dbraw/zinc/67/14/60/1358671460.db2.gz HWGJPDSVMJCXHV-PBHICJAKSA-N 1 2 343.496 3.233 20 30 EGEDLO C=CCOc1ccccc1C(=O)N(C)C[C@H]1CC[N@H+]1C[C@@H](F)CC ZINC001085678402 1358682151 /nfs/dbraw/zinc/68/21/51/1358682151.db2.gz IVPQHIWJHHWRMF-JKSUJKDBSA-N 1 2 334.435 3.146 20 30 EGEDLO C=CCOc1ccccc1C(=O)N(C)C[C@H]1CC[N@@H+]1C[C@@H](F)CC ZINC001085678402 1358682154 /nfs/dbraw/zinc/68/21/54/1358682154.db2.gz IVPQHIWJHHWRMF-JKSUJKDBSA-N 1 2 334.435 3.146 20 30 EGEDLO CN(C[C@@H]1CC1(C)C)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183830663 1387355615 /nfs/dbraw/zinc/35/56/15/1387355615.db2.gz GOAWUUDQFZSCCO-OALUTQOASA-N 1 2 339.483 3.417 20 30 EGEDLO CN(C[C@@H]1CC1(C)C)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183830663 1387355621 /nfs/dbraw/zinc/35/56/21/1387355621.db2.gz GOAWUUDQFZSCCO-OALUTQOASA-N 1 2 339.483 3.417 20 30 EGEDLO C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)C2(CC2)C1 ZINC001183833785 1387356098 /nfs/dbraw/zinc/35/60/98/1387356098.db2.gz CJCKEGZANGVXQE-APWZRJJASA-N 1 2 337.467 3.314 20 30 EGEDLO C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)C2(CC2)C1 ZINC001183833785 1387356104 /nfs/dbraw/zinc/35/61/04/1387356104.db2.gz CJCKEGZANGVXQE-APWZRJJASA-N 1 2 337.467 3.314 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001085828279 1358796361 /nfs/dbraw/zinc/79/63/61/1358796361.db2.gz PMVWRZNBBBKVSS-RVKKMQEKSA-N 1 2 345.512 3.335 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001085828279 1358796363 /nfs/dbraw/zinc/79/63/63/1358796363.db2.gz PMVWRZNBBBKVSS-RVKKMQEKSA-N 1 2 345.512 3.335 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1)C(=O)[C@@H]1CC12CC2 ZINC001085842714 1358809959 /nfs/dbraw/zinc/80/99/59/1358809959.db2.gz WBEMLHIBEPUVEV-MSOLQXFVSA-N 1 2 342.870 3.024 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1)C(=O)[C@@H]1CC12CC2 ZINC001085842714 1358809962 /nfs/dbraw/zinc/80/99/62/1358809962.db2.gz WBEMLHIBEPUVEV-MSOLQXFVSA-N 1 2 342.870 3.024 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@H]1CC12CCCC2 ZINC001085909154 1358868182 /nfs/dbraw/zinc/86/81/82/1358868182.db2.gz BSIDUFPGEPTUHH-RTBURBONSA-N 1 2 337.467 3.171 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@H]1CC12CCCC2 ZINC001085909154 1358868183 /nfs/dbraw/zinc/86/81/83/1358868183.db2.gz BSIDUFPGEPTUHH-RTBURBONSA-N 1 2 337.467 3.171 20 30 EGEDLO Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccccc2C#N)cc1 ZINC001085941094 1358898983 /nfs/dbraw/zinc/89/89/83/1358898983.db2.gz YIIVNBHNLOHMKH-FQEVSTJZSA-N 1 2 333.435 3.213 20 30 EGEDLO Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccccc2C#N)cc1 ZINC001085941094 1358898986 /nfs/dbraw/zinc/89/89/86/1358898986.db2.gz YIIVNBHNLOHMKH-FQEVSTJZSA-N 1 2 333.435 3.213 20 30 EGEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(CC)c(CCC)s1 ZINC001085965227 1358922899 /nfs/dbraw/zinc/92/28/99/1358922899.db2.gz CVHQYFYSKJVJQG-MRXNPFEDSA-N 1 2 332.513 3.433 20 30 EGEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(CC)c(CCC)s1 ZINC001085965227 1358922902 /nfs/dbraw/zinc/92/29/02/1358922902.db2.gz CVHQYFYSKJVJQG-MRXNPFEDSA-N 1 2 332.513 3.433 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)C1CCC=CCC1 ZINC001085975687 1358930133 /nfs/dbraw/zinc/93/01/33/1358930133.db2.gz CTJIGZCGMWLWEG-HXUWFJFHSA-N 1 2 337.467 3.337 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)C1CCC=CCC1 ZINC001085975687 1358930137 /nfs/dbraw/zinc/93/01/37/1358930137.db2.gz CTJIGZCGMWLWEG-HXUWFJFHSA-N 1 2 337.467 3.337 20 30 EGEDLO Cc1[nH]c2ccc(C#N)cc2c1CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001183886936 1387367914 /nfs/dbraw/zinc/36/79/14/1387367914.db2.gz NPEBTPJOAZHMBL-HNNXBMFYSA-N 1 2 347.422 3.020 20 30 EGEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC001323451272 1387371672 /nfs/dbraw/zinc/37/16/72/1387371672.db2.gz DFUHJCVKFHLNTQ-GOSISDBHSA-N 1 2 340.496 3.476 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C(C)(C)C)on2)[C@H]1CC ZINC001087653604 1359573768 /nfs/dbraw/zinc/57/37/68/1359573768.db2.gz HUFDNQYCWIBQMJ-GXTWGEPZSA-N 1 2 339.867 3.307 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C(C)(C)C)on2)[C@H]1CC ZINC001087653604 1359573772 /nfs/dbraw/zinc/57/37/72/1359573772.db2.gz HUFDNQYCWIBQMJ-GXTWGEPZSA-N 1 2 339.867 3.307 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(C)onc2C2CC2)[C@H]1CC ZINC001087659874 1359575983 /nfs/dbraw/zinc/57/59/83/1359575983.db2.gz GDLQVDKBRWOFMP-UONOGXRCSA-N 1 2 337.851 3.196 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(C)onc2C2CC2)[C@H]1CC ZINC001087659874 1359575987 /nfs/dbraw/zinc/57/59/87/1359575987.db2.gz GDLQVDKBRWOFMP-UONOGXRCSA-N 1 2 337.851 3.196 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(F)cc(F)cc2F)[C@H]1CC ZINC001087709439 1359602589 /nfs/dbraw/zinc/60/25/89/1359602589.db2.gz XWSDDUFTAGGCCY-UONOGXRCSA-N 1 2 346.780 3.439 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(F)cc(F)cc2F)[C@H]1CC ZINC001087709439 1359602590 /nfs/dbraw/zinc/60/25/90/1359602590.db2.gz XWSDDUFTAGGCCY-UONOGXRCSA-N 1 2 346.780 3.439 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2oc(CCC)nc2C)[C@H]1CC ZINC001087796540 1359650286 /nfs/dbraw/zinc/65/02/86/1359650286.db2.gz DVNBFGGGOPCESH-UONOGXRCSA-N 1 2 339.867 3.271 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2oc(CCC)nc2C)[C@H]1CC ZINC001087796540 1359650287 /nfs/dbraw/zinc/65/02/87/1359650287.db2.gz DVNBFGGGOPCESH-UONOGXRCSA-N 1 2 339.867 3.271 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)C(C)(C)C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087806162 1359655518 /nfs/dbraw/zinc/65/55/18/1359655518.db2.gz QWZPFRAYPIYEQV-DLBZAZTESA-N 1 2 331.435 3.213 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)C(C)(C)C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087806162 1359655520 /nfs/dbraw/zinc/65/55/20/1359655520.db2.gz QWZPFRAYPIYEQV-DLBZAZTESA-N 1 2 331.435 3.213 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(C)nsc2C)[C@H]1CC ZINC001087842515 1359675914 /nfs/dbraw/zinc/67/59/14/1359675914.db2.gz XCJDYVCKJUVNDR-QWHCGFSZSA-N 1 2 327.881 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(C)nsc2C)[C@H]1CC ZINC001087842515 1359675917 /nfs/dbraw/zinc/67/59/17/1359675917.db2.gz XCJDYVCKJUVNDR-QWHCGFSZSA-N 1 2 327.881 3.095 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3cc(F)ccc3F)[C@@H]2C)C1 ZINC001088839708 1360074245 /nfs/dbraw/zinc/07/42/45/1360074245.db2.gz AJDXDQBOMIBFIF-DYVFJYSZSA-N 1 2 334.410 3.400 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3cc(F)ccc3F)[C@@H]2C)C1 ZINC001088839708 1360074248 /nfs/dbraw/zinc/07/42/48/1360074248.db2.gz AJDXDQBOMIBFIF-DYVFJYSZSA-N 1 2 334.410 3.400 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccncc2C(F)(F)F)[C@H]1C ZINC001088955448 1360113901 /nfs/dbraw/zinc/11/39/01/1360113901.db2.gz QKQCMURZGYYNEF-MFKMUULPSA-N 1 2 347.768 3.046 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccncc2C(F)(F)F)[C@H]1C ZINC001088955448 1360113904 /nfs/dbraw/zinc/11/39/04/1360113904.db2.gz QKQCMURZGYYNEF-MFKMUULPSA-N 1 2 347.768 3.046 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cncc3ccccc32)[C@H]1C ZINC001089055771 1360150920 /nfs/dbraw/zinc/15/09/20/1360150920.db2.gz AWAORPGYDQSHFP-DYVFJYSZSA-N 1 2 329.831 3.180 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cncc3ccccc32)[C@H]1C ZINC001089055771 1360150924 /nfs/dbraw/zinc/15/09/24/1360150924.db2.gz AWAORPGYDQSHFP-DYVFJYSZSA-N 1 2 329.831 3.180 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089158917 1360214140 /nfs/dbraw/zinc/21/41/40/1360214140.db2.gz JZRPQNFCUBYIMC-LRDDRELGSA-N 1 2 330.476 3.088 20 30 EGEDLO Cc1nc(N[C@@H](C)C[C@H](C)NC(=O)C#CC(C)C)c2c([nH+]1)CCCC2 ZINC001089309653 1360328710 /nfs/dbraw/zinc/32/87/10/1360328710.db2.gz RBXWJNPHGRDHGU-GJZGRUSLSA-N 1 2 342.487 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cnccc1C ZINC001089625922 1360543891 /nfs/dbraw/zinc/54/38/91/1360543891.db2.gz VRIHEXYGUFJFRT-HNNXBMFYSA-N 1 2 335.879 3.363 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cnccc1C ZINC001089625922 1360543894 /nfs/dbraw/zinc/54/38/94/1360543894.db2.gz VRIHEXYGUFJFRT-HNNXBMFYSA-N 1 2 335.879 3.363 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](C)N(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001089733265 1360637650 /nfs/dbraw/zinc/63/76/50/1360637650.db2.gz IVEAYAMXFMENMM-MRXNPFEDSA-N 1 2 342.487 3.187 20 30 EGEDLO C#CCCCC(=O)N1CCCC[C@@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001089789791 1360664119 /nfs/dbraw/zinc/66/41/19/1360664119.db2.gz DZOWULWECBZUJJ-GOSISDBHSA-N 1 2 342.487 3.023 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001090809552 1360939157 /nfs/dbraw/zinc/93/91/57/1360939157.db2.gz FKRZCOVSWPLYFA-GDBMZVCRSA-N 1 2 344.503 3.452 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@H]2C)CC1 ZINC001090828072 1360941161 /nfs/dbraw/zinc/94/11/61/1360941161.db2.gz MOXHNORHDHMDII-CXAGYDPISA-N 1 2 342.487 3.089 20 30 EGEDLO Cc1cc(N[C@H]2C[C@@H](CNC(=O)C#CC(C)(C)C)C2)nc(C2CC2)[nH+]1 ZINC001091342110 1361052289 /nfs/dbraw/zinc/05/22/89/1361052289.db2.gz DEFRGSBSEARNGP-FZNQNYSPSA-N 1 2 340.471 3.019 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)CC(C)(C)C1 ZINC001092087856 1361297997 /nfs/dbraw/zinc/29/79/97/1361297997.db2.gz GZNMIWSSBWICAX-WBVHZDCISA-N 1 2 344.503 3.499 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001092904253 1361482834 /nfs/dbraw/zinc/48/28/34/1361482834.db2.gz AKNJVMZXNVJWST-ZSGPHXLJSA-N 1 2 342.487 3.176 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(C(C)C)n1 ZINC001093017412 1361509344 /nfs/dbraw/zinc/50/93/44/1361509344.db2.gz FZHWOJVPFQHGOZ-ZACQAIPSSA-N 1 2 342.487 3.491 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1CN(c1cc[nH+]c(C)n1)C2 ZINC001093096036 1361526297 /nfs/dbraw/zinc/52/62/97/1361526297.db2.gz FYUPVNIONHVXKI-PXNSSMCTSA-N 1 2 340.471 3.029 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@H]21 ZINC001093336042 1361561727 /nfs/dbraw/zinc/56/17/27/1361561727.db2.gz DMVLONHMZNNGJV-YIOZNXECSA-N 1 2 342.487 3.062 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCC[C@H]3CC)CC2)C1 ZINC001093571002 1361646012 /nfs/dbraw/zinc/64/60/12/1361646012.db2.gz YNGINDIZBRYQGX-VQIMIIECSA-N 1 2 334.504 3.081 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cc(C(C)C)oc3C)CC2)C1 ZINC001093589341 1361650339 /nfs/dbraw/zinc/65/03/39/1361650339.db2.gz SZOVCBCBVHTEKR-UHFFFAOYSA-N 1 2 346.471 3.203 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C34CCC(CC3)CC4)CC2)C1 ZINC001093598869 1361653687 /nfs/dbraw/zinc/65/36/87/1361653687.db2.gz ISGBRYRKOLLNTM-UHFFFAOYSA-N 1 2 346.515 3.225 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CC4CCC3CC4)CC2)C1 ZINC001093599184 1361653991 /nfs/dbraw/zinc/65/39/91/1361653991.db2.gz RZNWVSYGPBRVPG-UHYCVJNDSA-N 1 2 346.515 3.081 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H](Nc3cc(C)[nH+]c(C4CC4)n3)C2)CC1 ZINC001095081333 1362006783 /nfs/dbraw/zinc/00/67/83/1362006783.db2.gz JWJITLWVZMYSSG-MRXNPFEDSA-N 1 2 340.471 3.422 20 30 EGEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ccccc1F ZINC001095112026 1362017015 /nfs/dbraw/zinc/01/70/15/1362017015.db2.gz LGOVHVSFGSCKLW-QMMLZNLJSA-N 1 2 348.421 3.213 20 30 EGEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ccccc1F ZINC001095112026 1362017016 /nfs/dbraw/zinc/01/70/16/1362017016.db2.gz LGOVHVSFGSCKLW-QMMLZNLJSA-N 1 2 348.421 3.213 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccc2)C3)c1 ZINC001095118504 1362019712 /nfs/dbraw/zinc/01/97/12/1362019712.db2.gz CIWADMBSGKJVMS-HOJAQTOUSA-N 1 2 349.409 3.233 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccc2)C3)c1 ZINC001095118504 1362019714 /nfs/dbraw/zinc/01/97/14/1362019714.db2.gz CIWADMBSGKJVMS-HOJAQTOUSA-N 1 2 349.409 3.233 20 30 EGEDLO Cc1cc(N[C@H]2CCCN(C(=O)C#CC(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC001095293852 1362086489 /nfs/dbraw/zinc/08/64/89/1362086489.db2.gz BFWZFDGSHPHNGZ-INIZCTEOSA-N 1 2 342.487 3.361 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001095693488 1362202879 /nfs/dbraw/zinc/20/28/79/1362202879.db2.gz AZZKCENYNAPIBV-UHFFFAOYSA-N 1 2 332.492 3.453 20 30 EGEDLO C=CC(C)(C)C(=O)NCCCN(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001095942437 1362296702 /nfs/dbraw/zinc/29/67/02/1362296702.db2.gz GRBOOLVIBCVBMC-UHFFFAOYSA-N 1 2 330.476 3.207 20 30 EGEDLO C=CCC1(C(=O)NCCCN(CC)c2nc(C)[nH+]c(C)c2C)CCC1 ZINC001095958197 1362307340 /nfs/dbraw/zinc/30/73/40/1362307340.db2.gz IBUSSUONWQKYGH-UHFFFAOYSA-N 1 2 344.503 3.481 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cncc(F)c2)CC1 ZINC001095970891 1362316190 /nfs/dbraw/zinc/31/61/90/1362316190.db2.gz WCKUGQCVZXYSDT-QYZOEREBSA-N 1 2 343.446 3.189 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cncc(F)c2)CC1 ZINC001095970891 1362316194 /nfs/dbraw/zinc/31/61/94/1362316194.db2.gz WCKUGQCVZXYSDT-QYZOEREBSA-N 1 2 343.446 3.189 20 30 EGEDLO CCc1ccoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001095973931 1362318176 /nfs/dbraw/zinc/31/81/76/1362318176.db2.gz AHRGHBLNWXZUGG-AABGKKOBSA-N 1 2 348.446 3.229 20 30 EGEDLO CCc1ccoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001095973931 1362318179 /nfs/dbraw/zinc/31/81/79/1362318179.db2.gz AHRGHBLNWXZUGG-AABGKKOBSA-N 1 2 348.446 3.229 20 30 EGEDLO C=C(C)CCC(=O)N(C)C1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001096119185 1362392200 /nfs/dbraw/zinc/39/22/00/1362392200.db2.gz NVZSSYXIPFKLGJ-UHFFFAOYSA-N 1 2 342.487 3.446 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N(C)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001096127272 1362397279 /nfs/dbraw/zinc/39/72/79/1362397279.db2.gz YIIKBESKZSVHFG-HXUWFJFHSA-N 1 2 344.503 3.431 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001096209159 1362433016 /nfs/dbraw/zinc/43/30/16/1362433016.db2.gz VJUMFKZYDBIQQS-SFHVURJKSA-N 1 2 342.487 3.255 20 30 EGEDLO CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001096402198 1362490734 /nfs/dbraw/zinc/49/07/34/1362490734.db2.gz KECATRHOLPOFJW-SQNIBIBYSA-N 1 2 344.886 3.459 20 30 EGEDLO CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001096402198 1362490736 /nfs/dbraw/zinc/49/07/36/1362490736.db2.gz KECATRHOLPOFJW-SQNIBIBYSA-N 1 2 344.886 3.459 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096471691 1362525264 /nfs/dbraw/zinc/52/52/64/1362525264.db2.gz NUEWVXJXPHMAFZ-GDBMZVCRSA-N 1 2 330.476 3.206 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1CC12CCN(c1cc[nH+]c(C)n1)CC2 ZINC001096527324 1362555737 /nfs/dbraw/zinc/55/57/37/1362555737.db2.gz JXCYEENLUHWZJX-CQSZACIVSA-N 1 2 348.878 3.039 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CCCC2)C3)c(F)c1 ZINC001096714106 1362655031 /nfs/dbraw/zinc/65/50/31/1362655031.db2.gz FXYQZUZLMXJYIL-QRQLOZEOSA-N 1 2 341.430 3.109 20 30 EGEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CCCC2)C3)c(F)c1 ZINC001096714106 1362655034 /nfs/dbraw/zinc/65/50/34/1362655034.db2.gz FXYQZUZLMXJYIL-QRQLOZEOSA-N 1 2 341.430 3.109 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1[C@@H]3CCCC[C@@H]31)C2 ZINC001096919682 1362775431 /nfs/dbraw/zinc/77/54/31/1362775431.db2.gz AROOIAQCTYZPTL-YQPXSLGVSA-N 1 2 349.478 3.216 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1[C@@H]3CCCC[C@@H]31)C2 ZINC001096919682 1362775434 /nfs/dbraw/zinc/77/54/34/1362775434.db2.gz AROOIAQCTYZPTL-YQPXSLGVSA-N 1 2 349.478 3.216 20 30 EGEDLO C=CC[C@@H](C(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001096939199 1362784322 /nfs/dbraw/zinc/78/43/22/1362784322.db2.gz VVPIIGRSKHANNN-ZWKOTPCHSA-N 1 2 336.439 3.158 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097321494 1362931876 /nfs/dbraw/zinc/93/18/76/1362931876.db2.gz ILLFUQRLZYBKSV-QGZVFWFLSA-N 1 2 330.476 3.091 20 30 EGEDLO C=CCCC(=O)NC[C@@H]1CCCCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC001097397769 1362971904 /nfs/dbraw/zinc/97/19/04/1362971904.db2.gz YXIWZWLYFHMYFJ-INIZCTEOSA-N 1 2 330.476 3.350 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1CCCCN1c1nc(C)[nH+]c(C)c1C ZINC001097462445 1363004897 /nfs/dbraw/zinc/00/48/97/1363004897.db2.gz KXLMYUFSSYFLQI-QGZVFWFLSA-N 1 2 330.476 3.233 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H](C)[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001097535229 1363043876 /nfs/dbraw/zinc/04/38/76/1363043876.db2.gz PMSIHSADKPYGLC-GDBMZVCRSA-N 1 2 330.476 3.108 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3cc(F)ccc31)C2 ZINC001097554991 1363054792 /nfs/dbraw/zinc/05/47/92/1363054792.db2.gz XHFQANKLRQRBGQ-DDBAPUKQSA-N 1 2 348.849 3.330 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3cc(F)ccc31)C2 ZINC001097554991 1363054797 /nfs/dbraw/zinc/05/47/97/1363054797.db2.gz XHFQANKLRQRBGQ-DDBAPUKQSA-N 1 2 348.849 3.330 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001097671976 1363096599 /nfs/dbraw/zinc/09/65/99/1363096599.db2.gz CECCTXQQXPTAHW-MKXGPGLRSA-N 1 2 337.467 3.216 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001097671976 1363096603 /nfs/dbraw/zinc/09/66/03/1363096603.db2.gz CECCTXQQXPTAHW-MKXGPGLRSA-N 1 2 337.467 3.216 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(C(C)C)c1C)C2 ZINC001097691200 1363102033 /nfs/dbraw/zinc/10/20/33/1363102033.db2.gz BIPGCJNJTMKGIV-OIISXLGYSA-N 1 2 335.879 3.465 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(C(C)C)c1C)C2 ZINC001097691200 1363102030 /nfs/dbraw/zinc/10/20/30/1363102030.db2.gz BIPGCJNJTMKGIV-OIISXLGYSA-N 1 2 335.879 3.465 20 30 EGEDLO CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CC=CC1 ZINC001097785882 1363121022 /nfs/dbraw/zinc/12/10/22/1363121022.db2.gz ILBCCUPBWFDYHX-QRVBRYPASA-N 1 2 335.451 3.136 20 30 EGEDLO CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CC=CC1 ZINC001097785882 1363121024 /nfs/dbraw/zinc/12/10/24/1363121024.db2.gz ILBCCUPBWFDYHX-QRVBRYPASA-N 1 2 335.451 3.136 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001098245025 1363268017 /nfs/dbraw/zinc/26/80/17/1363268017.db2.gz WSRRSSKAFZSBTK-YJYMSZOUSA-N 1 2 330.476 3.183 20 30 EGEDLO C=CCCC(=O)N1CCC[C@@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001098674790 1363429954 /nfs/dbraw/zinc/42/99/54/1363429954.db2.gz DHCSBJGLBWWJPU-MRXNPFEDSA-N 1 2 328.460 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2sccc2F)C1 ZINC001098823145 1363483377 /nfs/dbraw/zinc/48/33/77/1363483377.db2.gz MSZPFVBFWGEKDC-NHYWBVRUSA-N 1 2 328.840 3.224 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2sccc2F)C1 ZINC001098823145 1363483379 /nfs/dbraw/zinc/48/33/79/1363483379.db2.gz MSZPFVBFWGEKDC-NHYWBVRUSA-N 1 2 328.840 3.224 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)NCC[C@@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001098904863 1363513881 /nfs/dbraw/zinc/51/38/81/1363513881.db2.gz GDILJEBOVKRSFZ-ZBFHGGJFSA-N 1 2 348.491 3.196 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ccc(F)cc1F ZINC001098977055 1363552483 /nfs/dbraw/zinc/55/24/83/1363552483.db2.gz ZRXIWNHJHMQOFV-CJNGLKHVSA-N 1 2 349.425 3.231 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ccc(F)cc1F ZINC001098977055 1363552486 /nfs/dbraw/zinc/55/24/86/1363552486.db2.gz ZRXIWNHJHMQOFV-CJNGLKHVSA-N 1 2 349.425 3.231 20 30 EGEDLO CCc1cnc(C[N@@H+]2CC(C)(C)CC[C@@H]2CNC(=O)C#CC(C)C)o1 ZINC001099065595 1363604235 /nfs/dbraw/zinc/60/42/35/1363604235.db2.gz UYYOCIYXMGCIEE-MRXNPFEDSA-N 1 2 345.487 3.003 20 30 EGEDLO CCc1cnc(C[N@H+]2CC(C)(C)CC[C@@H]2CNC(=O)C#CC(C)C)o1 ZINC001099065595 1363604239 /nfs/dbraw/zinc/60/42/39/1363604239.db2.gz UYYOCIYXMGCIEE-MRXNPFEDSA-N 1 2 345.487 3.003 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nonc1C ZINC001099093134 1363618411 /nfs/dbraw/zinc/61/84/11/1363618411.db2.gz MLAOCWHULQECAG-OAHLLOKOSA-N 1 2 348.491 3.087 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nonc1C ZINC001099093134 1363618413 /nfs/dbraw/zinc/61/84/13/1363618413.db2.gz MLAOCWHULQECAG-OAHLLOKOSA-N 1 2 348.491 3.087 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1cnns1 ZINC001099098225 1363620182 /nfs/dbraw/zinc/62/01/82/1363620182.db2.gz MHVJWZDBZRLDGI-CQSZACIVSA-N 1 2 336.505 3.001 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1cnns1 ZINC001099098225 1363620184 /nfs/dbraw/zinc/62/01/84/1363620184.db2.gz MHVJWZDBZRLDGI-CQSZACIVSA-N 1 2 336.505 3.001 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CCC)OC ZINC001099170588 1363668380 /nfs/dbraw/zinc/66/83/80/1363668380.db2.gz IXXRVFIYCYSOGL-GJZGRUSLSA-N 1 2 330.900 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CCC)OC ZINC001099170588 1363668381 /nfs/dbraw/zinc/66/83/81/1363668381.db2.gz IXXRVFIYCYSOGL-GJZGRUSLSA-N 1 2 330.900 3.161 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nccn1CC ZINC001099199571 1363688701 /nfs/dbraw/zinc/68/87/01/1363688701.db2.gz NXHSBZZFXUBFES-QGZVFWFLSA-N 1 2 346.519 3.366 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nccn1CC ZINC001099199571 1363688706 /nfs/dbraw/zinc/68/87/06/1363688706.db2.gz NXHSBZZFXUBFES-QGZVFWFLSA-N 1 2 346.519 3.366 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ccn(C)n1 ZINC001099220802 1363698682 /nfs/dbraw/zinc/69/86/82/1363698682.db2.gz SKNKUQHVCHMBTL-FXAWDEMLSA-N 1 2 346.519 3.129 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ccn(C)n1 ZINC001099220802 1363698684 /nfs/dbraw/zinc/69/86/84/1363698684.db2.gz SKNKUQHVCHMBTL-FXAWDEMLSA-N 1 2 346.519 3.129 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)CCOC ZINC001099292761 1363735801 /nfs/dbraw/zinc/73/58/01/1363735801.db2.gz XNVGEDTZWADFKY-OAHLLOKOSA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)CCOC ZINC001099292761 1363735804 /nfs/dbraw/zinc/73/58/04/1363735804.db2.gz XNVGEDTZWADFKY-OAHLLOKOSA-N 1 2 344.927 3.408 20 30 EGEDLO C=CCC1(C(=O)NCCN(CC)c2nc(C)[nH+]c(C)c2C)CCCC1 ZINC001100559330 1364161501 /nfs/dbraw/zinc/16/15/01/1364161501.db2.gz IRXJYSNBOGBSFS-UHFFFAOYSA-N 1 2 344.503 3.481 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCN(CC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001100682770 1364216854 /nfs/dbraw/zinc/21/68/54/1364216854.db2.gz BAQVYGMYDFQRPG-HNNXBMFYSA-N 1 2 332.492 3.453 20 30 EGEDLO CC#CCCCC(=O)NC[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001101041775 1364386883 /nfs/dbraw/zinc/38/68/83/1364386883.db2.gz MJMIPZNHRYUFNU-QGZVFWFLSA-N 1 2 342.487 3.045 20 30 EGEDLO C#CCCCCC(=O)N1C[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@@]2(C)C1 ZINC001101203117 1364461327 /nfs/dbraw/zinc/46/13/27/1364461327.db2.gz HPEDGCOCQCVNLY-LIGOOFOOSA-N 1 2 343.298 3.279 20 30 EGEDLO C#CCCCCC(=O)N1C[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@@]2(C)C1 ZINC001101203117 1364461329 /nfs/dbraw/zinc/46/13/29/1364461329.db2.gz HPEDGCOCQCVNLY-LIGOOFOOSA-N 1 2 343.298 3.279 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)CCCCCC(C)C)c1nccn12 ZINC001101646886 1364669370 /nfs/dbraw/zinc/66/93/70/1364669370.db2.gz ZJMNDBPXFJPMPU-KRWDZBQOSA-N 1 2 344.503 3.248 20 30 EGEDLO C=CC(C)(C)C(=O)NCCCN(c1nc(C)[nH+]c(C)c1C)C(C)C ZINC001102132232 1364879326 /nfs/dbraw/zinc/87/93/26/1364879326.db2.gz HJUYPARUZTYBKS-UHFFFAOYSA-N 1 2 332.492 3.335 20 30 EGEDLO C=CCCC(=O)N(CCC)[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102215167 1364938051 /nfs/dbraw/zinc/93/80/51/1364938051.db2.gz UWNMYUCQDUZKOC-QGZVFWFLSA-N 1 2 330.476 3.185 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]c(C(C)C)n1 ZINC001102564046 1365117144 /nfs/dbraw/zinc/11/71/44/1365117144.db2.gz XHBBSUUOZOLFDB-HOTGVXAUSA-N 1 2 342.487 3.300 20 30 EGEDLO C=C(C)CCC(=O)N(C)[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001102736534 1365196268 /nfs/dbraw/zinc/19/62/68/1365196268.db2.gz LINGRDASXNBZEJ-MRXNPFEDSA-N 1 2 330.476 3.302 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N(C)[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102752734 1365201892 /nfs/dbraw/zinc/20/18/92/1365201892.db2.gz MVTHTGPWYOXLCK-WMLDXEAASA-N 1 2 342.487 3.302 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N(C)[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102756216 1365204013 /nfs/dbraw/zinc/20/40/13/1365204013.db2.gz QZAVOYKKQNUKHJ-APWZRJJASA-N 1 2 330.476 3.041 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102880238 1365269558 /nfs/dbraw/zinc/26/95/58/1365269558.db2.gz DFLLGVJUNQYWFH-QGZVFWFLSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H]1CCCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102882806 1365271785 /nfs/dbraw/zinc/27/17/85/1365271785.db2.gz 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1367291126 /nfs/dbraw/zinc/29/11/26/1367291126.db2.gz GOPMZYBUJBEIJT-QRWLVFNGSA-N 1 2 348.462 3.306 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@]1(C)C[N@H+]([C@H](C)c2ccccc2F)CCO1 ZINC001108121891 1367292662 /nfs/dbraw/zinc/29/26/62/1367292662.db2.gz IKTUJIOTADLPOX-FOIQADDNSA-N 1 2 348.462 3.306 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@]1(C)C[N@@H+]([C@H](C)c2ccccc2F)CCO1 ZINC001108121891 1367292665 /nfs/dbraw/zinc/29/26/65/1367292665.db2.gz IKTUJIOTADLPOX-FOIQADDNSA-N 1 2 348.462 3.306 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C(C)(F)F ZINC001109733810 1367295566 /nfs/dbraw/zinc/29/55/66/1367295566.db2.gz HMZYUJIPBNWMLZ-IEAZIUSSSA-N 1 2 347.409 3.071 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C(C)(F)F ZINC001109733810 1367295569 /nfs/dbraw/zinc/29/55/69/1367295569.db2.gz HMZYUJIPBNWMLZ-IEAZIUSSSA-N 1 2 347.409 3.071 20 30 EGEDLO C=CCCCC(=O)NC[C@]1(C)C[N@H+]([C@@H](C)c2ccccc2F)CCO1 ZINC001108173743 1367323927 /nfs/dbraw/zinc/32/39/27/1367323927.db2.gz 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1367590180 /nfs/dbraw/zinc/59/01/80/1367590180.db2.gz LLAHLPBKGBKMEW-UHFFFAOYSA-N 1 2 328.460 3.081 20 30 EGEDLO CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110285156 1367611209 /nfs/dbraw/zinc/61/12/09/1367611209.db2.gz UWZCZJNJJRHJIQ-QRQLOZEOSA-N 1 2 343.446 3.499 20 30 EGEDLO CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110285156 1367611212 /nfs/dbraw/zinc/61/12/12/1367611212.db2.gz UWZCZJNJJRHJIQ-QRQLOZEOSA-N 1 2 343.446 3.499 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2cc(O)ccc2Cl)C1 ZINC001191868368 1367621406 /nfs/dbraw/zinc/62/14/06/1367621406.db2.gz SJQNVTZNHYTNPF-INIZCTEOSA-N 1 2 348.874 3.272 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(O)ccc2Cl)C1 ZINC001191868368 1367621409 /nfs/dbraw/zinc/62/14/09/1367621409.db2.gz SJQNVTZNHYTNPF-INIZCTEOSA-N 1 2 348.874 3.272 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2csc(CC)n2)C1 ZINC001191889606 1367627411 /nfs/dbraw/zinc/62/74/11/1367627411.db2.gz IUQVYMCEYDXKAS-ZBFHGGJFSA-N 1 2 335.517 3.341 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2csc(CC)n2)C1 ZINC001191889606 1367627416 /nfs/dbraw/zinc/62/74/16/1367627416.db2.gz IUQVYMCEYDXKAS-ZBFHGGJFSA-N 1 2 335.517 3.341 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCC1(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001110327517 1367644485 /nfs/dbraw/zinc/64/44/85/1367644485.db2.gz WOTJNSKMPHAJLX-IBGZPJMESA-N 1 2 342.487 3.327 20 30 EGEDLO C=C1CC(C)(C(=O)NCC2(Nc3cc(C)[nH+]c(C(C)C)n3)CC2)C1 ZINC001110338167 1367650837 /nfs/dbraw/zinc/65/08/37/1367650837.db2.gz PXKAYOIGEVZECF-UHFFFAOYSA-N 1 2 328.460 3.325 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2nc(C(C)C)no2)C1 ZINC001192058787 1367676812 /nfs/dbraw/zinc/67/68/12/1367676812.db2.gz AZYLBGGWWSJTHP-HUUCEWRRSA-N 1 2 334.464 3.143 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2nc(C(C)C)no2)C1 ZINC001192058787 1367676820 /nfs/dbraw/zinc/67/68/20/1367676820.db2.gz AZYLBGGWWSJTHP-HUUCEWRRSA-N 1 2 334.464 3.143 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(O)ccc2Cl)C1 ZINC001192094822 1367685864 /nfs/dbraw/zinc/68/58/64/1367685864.db2.gz WKLZVGWKTQGHAO-OAHLLOKOSA-N 1 2 336.863 3.435 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(O)ccc2Cl)C1 ZINC001192094822 1367685866 /nfs/dbraw/zinc/68/58/66/1367685866.db2.gz WKLZVGWKTQGHAO-OAHLLOKOSA-N 1 2 336.863 3.435 20 30 EGEDLO CCC(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001108959568 1367685930 /nfs/dbraw/zinc/68/59/30/1367685930.db2.gz ZYCKXLJXRRRJCE-NEWSRXKRSA-N 1 2 343.446 3.355 20 30 EGEDLO CCC(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001108959568 1367685933 /nfs/dbraw/zinc/68/59/33/1367685933.db2.gz ZYCKXLJXRRRJCE-NEWSRXKRSA-N 1 2 343.446 3.355 20 30 EGEDLO C=C[C@@H](CC(=O)N[C@@H](C)CN(C)c1cc[nH+]c(C)n1)c1ccccc1 ZINC001108982272 1367700660 /nfs/dbraw/zinc/70/06/60/1367700660.db2.gz YTCFKLPLEFHMDT-RDJZCZTQSA-N 1 2 338.455 3.086 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ncc(CC)o3)C2)CCC1 ZINC001192218416 1367721425 /nfs/dbraw/zinc/72/14/25/1367721425.db2.gz RAMAIKLKNLIRQR-OAHLLOKOSA-N 1 2 331.460 3.016 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3ncc(CC)o3)C2)CCC1 ZINC001192218416 1367721431 /nfs/dbraw/zinc/72/14/31/1367721431.db2.gz RAMAIKLKNLIRQR-OAHLLOKOSA-N 1 2 331.460 3.016 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@]2(C1)CCCN(c1cc[nH+]c(C)n1)C2 ZINC001110458615 1367745885 /nfs/dbraw/zinc/74/58/85/1367745885.db2.gz KCGOXCAWGZSWEP-FQEVSTJZSA-N 1 2 342.487 3.206 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)s1 ZINC001110493664 1367781513 /nfs/dbraw/zinc/78/15/13/1367781513.db2.gz ZQEKRWNTFZQUAD-YUELXQCFSA-N 1 2 336.888 3.427 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)s1 ZINC001110493664 1367781516 /nfs/dbraw/zinc/78/15/16/1367781516.db2.gz ZQEKRWNTFZQUAD-YUELXQCFSA-N 1 2 336.888 3.427 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)cc(F)c1 ZINC001110543479 1367820700 /nfs/dbraw/zinc/82/07/00/1367820700.db2.gz SVAPIRNPCXMXQQ-KURKYZTESA-N 1 2 346.421 3.236 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)cc(F)c1 ZINC001110543479 1367820704 /nfs/dbraw/zinc/82/07/04/1367820704.db2.gz SVAPIRNPCXMXQQ-KURKYZTESA-N 1 2 346.421 3.236 20 30 EGEDLO C=CCCC(=O)NC1(C)CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001110583300 1367849493 /nfs/dbraw/zinc/84/94/93/1367849493.db2.gz PIIMCAFUKZDAEY-UHFFFAOYSA-N 1 2 330.476 3.350 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H](CNc2cc[nH+]c(C)n2)C2CCCC2)C1 ZINC001110677735 1367920717 /nfs/dbraw/zinc/92/07/17/1367920717.db2.gz URMHTSMACDOTOK-INIZCTEOSA-N 1 2 328.460 3.228 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@]1(C)CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001110789732 1367988736 /nfs/dbraw/zinc/98/87/36/1367988736.db2.gz HXSROOSKDYCTGH-FQEVSTJZSA-N 1 2 342.487 3.350 20 30 EGEDLO C#CCCCCCC(=O)N[C@@]1(C)CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001110802691 1368001268 /nfs/dbraw/zinc/00/12/68/1368001268.db2.gz SWNNBNSANPBNGA-FQEVSTJZSA-N 1 2 342.487 3.071 20 30 EGEDLO C=CCCCC(=O)N[C@]1(C)CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001110809659 1368005038 /nfs/dbraw/zinc/00/50/38/1368005038.db2.gz SWMYTRDHSIDPFD-LJQANCHMSA-N 1 2 328.460 3.104 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001110933425 1368102792 /nfs/dbraw/zinc/10/27/92/1368102792.db2.gz LUCBPHRGVXNPPJ-LHHMISFZSA-N 1 2 331.460 3.115 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001110933425 1368102797 /nfs/dbraw/zinc/10/27/97/1368102797.db2.gz LUCBPHRGVXNPPJ-LHHMISFZSA-N 1 2 331.460 3.115 20 30 EGEDLO CC(=O)/C=C(/C)NC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1 ZINC001186315652 1387920641 /nfs/dbraw/zinc/92/06/41/1387920641.db2.gz BZZZMXNINCYDNK-MJGOQDMVSA-N 1 2 348.446 3.223 20 30 EGEDLO CC(=O)/C=C(/C)NC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1 ZINC001186315652 1387920646 /nfs/dbraw/zinc/92/06/46/1387920646.db2.gz BZZZMXNINCYDNK-MJGOQDMVSA-N 1 2 348.446 3.223 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110964494 1368127345 /nfs/dbraw/zinc/12/73/45/1368127345.db2.gz NJYRIPHYWPQNOR-QRQLOZEOSA-N 1 2 341.430 3.275 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110964494 1368127351 /nfs/dbraw/zinc/12/73/51/1368127351.db2.gz NJYRIPHYWPQNOR-QRQLOZEOSA-N 1 2 341.430 3.275 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnc(Cl)c1 ZINC001110964524 1368127573 /nfs/dbraw/zinc/12/75/73/1368127573.db2.gz ORIFZRRVYQXZFG-OAGGEKHMSA-N 1 2 333.863 3.313 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnc(Cl)c1 ZINC001110964524 1368127578 /nfs/dbraw/zinc/12/75/78/1368127578.db2.gz ORIFZRRVYQXZFG-OAGGEKHMSA-N 1 2 333.863 3.313 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCc1ccccc1)C2 ZINC001110973127 1368130997 /nfs/dbraw/zinc/13/09/97/1368130997.db2.gz SEFJNJMLQXXWTC-KURKYZTESA-N 1 2 332.875 3.483 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCc1ccccc1)C2 ZINC001110973127 1368131000 /nfs/dbraw/zinc/13/10/00/1368131000.db2.gz SEFJNJMLQXXWTC-KURKYZTESA-N 1 2 332.875 3.483 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@H]([C@@H](C)Nc3cc[nH+]c(C)n3)C2)CC1 ZINC001111231220 1368207008 /nfs/dbraw/zinc/20/70/08/1368207008.db2.gz WOKKEXMOTNWMRM-ZBFHGGJFSA-N 1 2 328.460 3.180 20 30 EGEDLO C=CCCC(=O)N1C[C@H](C)[C@@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001111237121 1368211238 /nfs/dbraw/zinc/21/12/38/1368211238.db2.gz LXYFOSBYMURERV-HOCLYGCPSA-N 1 2 330.476 3.381 20 30 EGEDLO C=CCC1(C(=O)N2C[C@H](C)[C@H](CNc3cc[nH+]c(C)n3)C2)CCCC1 ZINC001111249710 1368217062 /nfs/dbraw/zinc/21/70/62/1368217062.db2.gz MJDSNAHEYNLTIJ-DOTOQJQBSA-N 1 2 342.487 3.428 20 30 EGEDLO C#CCCCC(=O)N1CC[C@H](CCNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001111606420 1368368558 /nfs/dbraw/zinc/36/85/58/1368368558.db2.gz BYQOFPQHXFUQBP-INIZCTEOSA-N 1 2 340.471 3.116 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CC[C@H](CNc2cc[nH+]c(C)n2)CC1 ZINC001111646929 1368410530 /nfs/dbraw/zinc/41/05/30/1368410530.db2.gz YBHSCXHXTFKRQE-GPMSIDNRSA-N 1 2 330.476 3.474 20 30 EGEDLO Cc1cc(C#N)cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC001195402153 1368431667 /nfs/dbraw/zinc/43/16/67/1368431667.db2.gz TUITUFXYXUGOTE-VMPITWQZSA-N 1 2 345.446 3.338 20 30 EGEDLO Cc1cc(C#N)cc(C(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001195420110 1368434470 /nfs/dbraw/zinc/43/44/70/1368434470.db2.gz JGOCPPWDFBOGSP-UHFFFAOYSA-N 1 2 330.391 3.325 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@@H+]([C@@H](C)c2cc(F)ccc2F)CC1 ZINC001195645332 1368464837 /nfs/dbraw/zinc/46/48/37/1368464837.db2.gz PNZWAZYWOBBDLP-HNNXBMFYSA-N 1 2 334.410 3.364 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@H+]([C@@H](C)c2cc(F)ccc2F)CC1 ZINC001195645332 1368464842 /nfs/dbraw/zinc/46/48/42/1368464842.db2.gz PNZWAZYWOBBDLP-HNNXBMFYSA-N 1 2 334.410 3.364 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[N@@H+]([C@H](C)c2nc3ccccc3o2)CC1 ZINC001195775339 1368487612 /nfs/dbraw/zinc/48/76/12/1368487612.db2.gz WPWMFKZQLMYRNF-MRXNPFEDSA-N 1 2 339.439 3.083 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[N@H+]([C@H](C)c2nc3ccccc3o2)CC1 ZINC001195775339 1368487617 /nfs/dbraw/zinc/48/76/17/1368487617.db2.gz WPWMFKZQLMYRNF-MRXNPFEDSA-N 1 2 339.439 3.083 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001195990063 1368529183 /nfs/dbraw/zinc/52/91/83/1368529183.db2.gz KOTCLKUMJXUZMN-UHFFFAOYSA-N 1 2 343.446 3.334 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001195990063 1368529206 /nfs/dbraw/zinc/52/92/06/1368529206.db2.gz KOTCLKUMJXUZMN-UHFFFAOYSA-N 1 2 343.446 3.334 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C/C=C/Cc2ccccc2)CC1 ZINC001196215490 1368569834 /nfs/dbraw/zinc/56/98/34/1368569834.db2.gz LGKMOAWDIRYXDZ-AATRIKPKSA-N 1 2 332.875 3.462 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C/C=C/Cc2ccccc2)CC1 ZINC001196215490 1368569837 /nfs/dbraw/zinc/56/98/37/1368569837.db2.gz LGKMOAWDIRYXDZ-AATRIKPKSA-N 1 2 332.875 3.462 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(F)c(F)c2)CC1 ZINC001196831196 1368693439 /nfs/dbraw/zinc/69/34/39/1368693439.db2.gz PFUVQLOTJVZFHR-CABCVRRESA-N 1 2 336.426 3.457 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(F)c(F)c2)CC1 ZINC001196831196 1368693442 /nfs/dbraw/zinc/69/34/42/1368693442.db2.gz PFUVQLOTJVZFHR-CABCVRRESA-N 1 2 336.426 3.457 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2F)CC1 ZINC001196853670 1368699934 /nfs/dbraw/zinc/69/99/34/1368699934.db2.gz LBQAJXCGMYZPTC-GJZGRUSLSA-N 1 2 336.426 3.457 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2F)CC1 ZINC001196853670 1368699937 /nfs/dbraw/zinc/69/99/37/1368699937.db2.gz LBQAJXCGMYZPTC-GJZGRUSLSA-N 1 2 336.426 3.457 20 30 EGEDLO C=CCCC1(C(=O)N2CCC[N@@H+](Cc3cncc(F)c3)CC2)CC1 ZINC001197055200 1368736920 /nfs/dbraw/zinc/73/69/20/1368736920.db2.gz MCXSLOAZEZNWEX-UHFFFAOYSA-N 1 2 331.435 3.001 20 30 EGEDLO C=CCCC1(C(=O)N2CCC[N@H+](Cc3cncc(F)c3)CC2)CC1 ZINC001197055200 1368736922 /nfs/dbraw/zinc/73/69/22/1368736922.db2.gz MCXSLOAZEZNWEX-UHFFFAOYSA-N 1 2 331.435 3.001 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@@H+](Cc3cc(C)ns3)CC2)CCC1 ZINC001197076907 1368741250 /nfs/dbraw/zinc/74/12/50/1368741250.db2.gz NEXXXNZKXSULPG-UHFFFAOYSA-N 1 2 333.501 3.232 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@H+](Cc3cc(C)ns3)CC2)CCC1 ZINC001197076907 1368741255 /nfs/dbraw/zinc/74/12/55/1368741255.db2.gz NEXXXNZKXSULPG-UHFFFAOYSA-N 1 2 333.501 3.232 20 30 EGEDLO C=CCC1(C(=O)N2C[C@@H](C)[C@@H](Nc3cc[nH+]c(C)n3)C2)CCCC1 ZINC001112318425 1368763213 /nfs/dbraw/zinc/76/32/13/1368763213.db2.gz PGIKAPGDVWECQY-ZBFHGGJFSA-N 1 2 328.460 3.180 20 30 EGEDLO C=CCCCC(=O)N1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC001112335687 1368773786 /nfs/dbraw/zinc/77/37/86/1368773786.db2.gz GKNFDTFSMWVICA-KSSFIOAISA-N 1 2 342.487 3.279 20 30 EGEDLO N#Cc1ccc(-c2ccc(C(=O)N3CCC(n4cc[nH+]c4)CC3)o2)cc1 ZINC001197394511 1368805401 /nfs/dbraw/zinc/80/54/01/1368805401.db2.gz TUPSFGZVQRVCHV-UHFFFAOYSA-N 1 2 346.390 3.492 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C[C@@H]1C ZINC001112420990 1368835647 /nfs/dbraw/zinc/83/56/47/1368835647.db2.gz CQLJWZRSVFBKBF-SUMWQHHRSA-N 1 2 344.503 3.335 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]2CC1 ZINC001112443911 1368858074 /nfs/dbraw/zinc/85/80/74/1368858074.db2.gz VAXZDSYMIHZPJU-NXHRZFHOSA-N 1 2 342.487 3.062 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@H](C)C1 ZINC001112495271 1368890934 /nfs/dbraw/zinc/89/09/34/1368890934.db2.gz PZWJYWLBFOTNND-CXAGYDPISA-N 1 2 330.476 3.232 20 30 EGEDLO C=CCO[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(Cl)s2)CC1 ZINC001198344674 1369013484 /nfs/dbraw/zinc/01/34/84/1369013484.db2.gz VTSUHFYGZFLIBE-ZDUSSCGKSA-N 1 2 342.892 3.027 20 30 EGEDLO C=CCO[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)s2)CC1 ZINC001198344674 1369013487 /nfs/dbraw/zinc/01/34/87/1369013487.db2.gz VTSUHFYGZFLIBE-ZDUSSCGKSA-N 1 2 342.892 3.027 20 30 EGEDLO C#CCCCC(=O)N1CC[NH+](Cc2cc(C(C)C)ccc2OC)CC1 ZINC001112809588 1369021228 /nfs/dbraw/zinc/02/12/28/1369021228.db2.gz MBBIJGMBZHAQTN-UHFFFAOYSA-N 1 2 342.483 3.266 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@H]([C@@H]2CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001112811690 1369024062 /nfs/dbraw/zinc/02/40/62/1369024062.db2.gz UKKATHFBCYADMU-ZWKOTPCHSA-N 1 2 342.487 3.206 20 30 EGEDLO CCCOc1cccc(C[NH+]2CCN(C(=O)C#CC(C)(C)C)CC2)c1 ZINC001112837190 1369036953 /nfs/dbraw/zinc/03/69/53/1369036953.db2.gz WECIQXSYCOEVGY-UHFFFAOYSA-N 1 2 342.483 3.169 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[NH+](CCOCc2ccccc2)CC1 ZINC001112886029 1369068689 /nfs/dbraw/zinc/06/86/89/1369068689.db2.gz XIUXHZOEZGVISM-UHFFFAOYSA-N 1 2 342.483 3.116 20 30 EGEDLO C=CCCC(=O)NC[C@@H]([NH2+]Cc1ccccn1)c1ccccc1OC ZINC001198595330 1369069184 /nfs/dbraw/zinc/06/91/84/1369069184.db2.gz KNJRQENQNYUQQI-GOSISDBHSA-N 1 2 339.439 3.004 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)Cc1ccco1)c1ccccc1OC ZINC001198940131 1369153664 /nfs/dbraw/zinc/15/36/64/1369153664.db2.gz ONSSCUBEDBRUAN-MRXNPFEDSA-N 1 2 348.830 3.030 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC001113162012 1369236179 /nfs/dbraw/zinc/23/61/79/1369236179.db2.gz RQRZSTJPMMPFGA-FQEVSTJZSA-N 1 2 348.462 3.029 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001186626863 1387989052 /nfs/dbraw/zinc/98/90/52/1387989052.db2.gz GXCUPRHPQNFFBH-UHFFFAOYSA-N 1 2 332.753 3.303 20 30 EGEDLO C#CCC1(C(=O)N[C@H](C)[C@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001113181657 1369249305 /nfs/dbraw/zinc/24/93/05/1369249305.db2.gz ZVTSTCPDTFNFOT-LSDHHAIUSA-N 1 2 340.471 3.161 20 30 EGEDLO C#CCC1(C(=O)N[C@H](C)[C@@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001113181656 1369249596 /nfs/dbraw/zinc/24/95/96/1369249596.db2.gz ZVTSTCPDTFNFOT-HUUCEWRRSA-N 1 2 340.471 3.161 20 30 EGEDLO C#CCCCCCC(=O)N1CC[NH+](Cc2cccc(COC)c2)CC1 ZINC001113199836 1369258946 /nfs/dbraw/zinc/25/89/46/1369258946.db2.gz LUCOCHKWPNTEDF-UHFFFAOYSA-N 1 2 342.483 3.061 20 30 EGEDLO C#CCCCCCC(=O)N1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC001113205729 1369261255 /nfs/dbraw/zinc/26/12/55/1369261255.db2.gz ZGTPDVQZYSHHDL-UHFFFAOYSA-N 1 2 330.447 3.362 20 30 EGEDLO CC#CCCCC(=O)N1CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC001113232393 1369280818 /nfs/dbraw/zinc/28/08/18/1369280818.db2.gz OEZDQQFIZFGHPI-UHFFFAOYSA-N 1 2 340.467 3.066 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[NH+](CCOc2ccc(C)cc2)CC1 ZINC001113239954 1369286622 /nfs/dbraw/zinc/28/66/22/1369286622.db2.gz YVFFGMPGYZNUHV-GOSISDBHSA-N 1 2 330.472 3.120 20 30 EGEDLO C=CCNC(=S)NC1CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC001200302914 1369344422 /nfs/dbraw/zinc/34/44/22/1369344422.db2.gz SUFSJCRZPPXILT-UHFFFAOYSA-N 1 2 341.883 3.094 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[NH+](CCOc2cc(C)ccc2C)CC1 ZINC001113390586 1369391968 /nfs/dbraw/zinc/39/19/68/1369391968.db2.gz JTWCRRFFPQEEMA-UHFFFAOYSA-N 1 2 344.499 3.429 20 30 EGEDLO CC(C)CCCCC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001113441755 1369431236 /nfs/dbraw/zinc/43/12/36/1369431236.db2.gz RDSFHAVNHGXBMM-UHFFFAOYSA-N 1 2 327.472 3.419 20 30 EGEDLO CC[C@H](CC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1)C(C)C ZINC001113560695 1369493904 /nfs/dbraw/zinc/49/39/04/1369493904.db2.gz URLGYMSFKHBILD-LJQANCHMSA-N 1 2 327.472 3.275 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001113895583 1369649452 /nfs/dbraw/zinc/64/94/52/1369649452.db2.gz HAQDNOWSASTAID-AWEZNQCLSA-N 1 2 330.476 3.206 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)CC[C@H]1C ZINC001114054377 1369707018 /nfs/dbraw/zinc/70/70/18/1369707018.db2.gz BREFBUQSNQOILR-CXAGYDPISA-N 1 2 344.503 3.335 20 30 EGEDLO CCCCC(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001186886235 1388022479 /nfs/dbraw/zinc/02/24/79/1388022479.db2.gz YHECTAKUXWUMHG-PKOBYXMFSA-N 1 2 344.886 3.414 20 30 EGEDLO CCCCC(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001186886235 1388022481 /nfs/dbraw/zinc/02/24/81/1388022481.db2.gz YHECTAKUXWUMHG-PKOBYXMFSA-N 1 2 344.886 3.414 20 30 EGEDLO Cc1cc(NCC2(NC(=O)[C@H](C)C#N)CCCCC2)nc(C(C)C)[nH+]1 ZINC001114150667 1369764653 /nfs/dbraw/zinc/76/46/53/1369764653.db2.gz QLSRUQWGPHNISZ-CQSZACIVSA-N 1 2 343.475 3.299 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H]2CN(c3cc[nH+]c(C)n3)C[C@H]2C1 ZINC001114656853 1370009770 /nfs/dbraw/zinc/00/97/70/1370009770.db2.gz MXRWWGVHJOPEOP-BRWVUGGUSA-N 1 2 342.487 3.108 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@@]2(C)CN(c3cc[nH+]c(C)n3)C[C@@]2(C)C1 ZINC001114728549 1370050755 /nfs/dbraw/zinc/05/07/55/1370050755.db2.gz LBJCPSPVWPPNSZ-BGYRXZFFSA-N 1 2 342.487 3.062 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[C@@H]([NH2+]CC(F)(F)C(F)F)C12CCC2 ZINC001203280949 1370059684 /nfs/dbraw/zinc/05/96/84/1370059684.db2.gz LXSUEJWYJWEHLT-CHWSQXEVSA-N 1 2 348.384 3.097 20 30 EGEDLO C=C(C)CCC(=O)N1CCC(N(C)c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001115148199 1370312140 /nfs/dbraw/zinc/31/21/40/1370312140.db2.gz YUYMWXSCMXFVMQ-UHFFFAOYSA-N 1 2 342.487 3.446 20 30 EGEDLO Cc1cc(N[C@H](CCNC(=O)C#CC2CC2)C(C)C)nc(C(C)C)[nH+]1 ZINC001115313227 1370375928 /nfs/dbraw/zinc/37/59/28/1370375928.db2.gz UVEFIHASKDHOGU-QGZVFWFLSA-N 1 2 342.487 3.265 20 30 EGEDLO C#CCCCCCC(=O)NCC[C@@H](Nc1cc[nH+]c(C)n1)C(C)C ZINC001115355333 1370404372 /nfs/dbraw/zinc/40/43/72/1370404372.db2.gz TXSZBTSKCIHXHU-QGZVFWFLSA-N 1 2 330.476 3.312 20 30 EGEDLO Cn1c2ccccc2n(C2CC[NH+](Cc3ccccc3C#N)CC2)c1=O ZINC001204371305 1370456502 /nfs/dbraw/zinc/45/65/02/1370456502.db2.gz IBBTUQDNZJPMHT-UHFFFAOYSA-N 1 2 346.434 3.049 20 30 EGEDLO C=C(C)CCC(=O)NCC1([NH2+]Cc2noc(C(C)C)n2)CCCCC1 ZINC001115556957 1370556003 /nfs/dbraw/zinc/55/60/03/1370556003.db2.gz LSNFABKVUYTRDK-UHFFFAOYSA-N 1 2 348.491 3.458 20 30 EGEDLO C=CCn1cnn(C[N@H+]2Cc3ccccc3N(C)C[C@@H]2CC)c1=S ZINC001116244520 1370867359 /nfs/dbraw/zinc/86/73/59/1370867359.db2.gz SASSWFYDOFSKQC-INIZCTEOSA-N 1 2 343.500 3.288 20 30 EGEDLO C=CCn1cnn(C[N@@H+]2Cc3ccccc3N(C)C[C@@H]2CC)c1=S ZINC001116244520 1370867367 /nfs/dbraw/zinc/86/73/67/1370867367.db2.gz SASSWFYDOFSKQC-INIZCTEOSA-N 1 2 343.500 3.288 20 30 EGEDLO N[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(OC(F)(F)F)c(F)c2)C1 ZINC001206238270 1371001320 /nfs/dbraw/zinc/00/13/20/1371001320.db2.gz RQNPBLMKUPIRBK-NSHDSACASA-N 1 2 346.246 3.190 20 30 EGEDLO N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(OC(F)(F)F)c(F)c2)C1 ZINC001206238270 1371001324 /nfs/dbraw/zinc/00/13/24/1371001324.db2.gz RQNPBLMKUPIRBK-NSHDSACASA-N 1 2 346.246 3.190 20 30 EGEDLO CCCc1c(NC(=O)[C@@H](C)n2cc[nH+]c2)cnn1-c1cccc(C#N)c1 ZINC001326091078 1388111402 /nfs/dbraw/zinc/11/14/02/1388111402.db2.gz YXUULXQMOKHORE-CQSZACIVSA-N 1 2 348.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2c(F)cccc2F)C[C@H]1C ZINC001206939877 1371234729 /nfs/dbraw/zinc/23/47/29/1371234729.db2.gz XUBCCFJPWJIQNN-JKIFEVAISA-N 1 2 334.410 3.122 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2c(F)cccc2F)C[C@H]1C ZINC001206939877 1371234736 /nfs/dbraw/zinc/23/47/36/1371234736.db2.gz XUBCCFJPWJIQNN-JKIFEVAISA-N 1 2 334.410 3.122 20 30 EGEDLO C=CCN(CC[N@@H+]1CCCC(F)(F)[C@@H](F)C1)C(=O)OC(C)(C)C ZINC001207198496 1371327291 /nfs/dbraw/zinc/32/72/91/1371327291.db2.gz DSUUMFVBVGISJI-ZDUSSCGKSA-N 1 2 336.398 3.479 20 30 EGEDLO C=CCN(CC[N@H+]1CCCC(F)(F)[C@@H](F)C1)C(=O)OC(C)(C)C ZINC001207198496 1371327295 /nfs/dbraw/zinc/32/72/95/1371327295.db2.gz DSUUMFVBVGISJI-ZDUSSCGKSA-N 1 2 336.398 3.479 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc(CCCC)no2)C[C@H]1C ZINC001208317944 1371715028 /nfs/dbraw/zinc/71/50/28/1371715028.db2.gz CFORURVMSZUKSK-QLFBSQMISA-N 1 2 348.491 3.122 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc(CCCC)no2)C[C@H]1C ZINC001208317944 1371715033 /nfs/dbraw/zinc/71/50/33/1371715033.db2.gz CFORURVMSZUKSK-QLFBSQMISA-N 1 2 348.491 3.122 20 30 EGEDLO N#Cc1cc(F)cc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC001208345953 1371727474 /nfs/dbraw/zinc/72/74/74/1371727474.db2.gz GYPPGMAMMGTXFY-UHFFFAOYSA-N 1 2 335.342 3.205 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208387739 1371747986 /nfs/dbraw/zinc/74/79/86/1371747986.db2.gz ATVMJYBXEFXDRK-QMTMVMCOSA-N 1 2 343.446 3.236 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208387739 1371747989 /nfs/dbraw/zinc/74/79/89/1371747989.db2.gz ATVMJYBXEFXDRK-QMTMVMCOSA-N 1 2 343.446 3.236 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C3CCCC3)n2)C[C@H]1C ZINC001208452523 1371771969 /nfs/dbraw/zinc/77/19/69/1371771969.db2.gz PJIWTXFAWNXUGT-VQIMIIECSA-N 1 2 344.503 3.291 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccn(C3CCCC3)n2)C[C@H]1C ZINC001208452523 1371771970 /nfs/dbraw/zinc/77/19/70/1371771970.db2.gz PJIWTXFAWNXUGT-VQIMIIECSA-N 1 2 344.503 3.291 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ncc(C(C)C)o2)C[C@H]1C ZINC001208512204 1371794988 /nfs/dbraw/zinc/79/49/88/1371794988.db2.gz ZOLQUMDYNIKZIT-CLCXKQKWSA-N 1 2 333.476 3.337 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C(C)C)o2)C[C@H]1C ZINC001208512204 1371794990 /nfs/dbraw/zinc/79/49/90/1371794990.db2.gz ZOLQUMDYNIKZIT-CLCXKQKWSA-N 1 2 333.476 3.337 20 30 EGEDLO CC/C(C)=C/C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187787870 1388162555 /nfs/dbraw/zinc/16/25/55/1388162555.db2.gz PVWNCBOCDRBERI-YLIRLVPWSA-N 1 2 341.430 3.086 20 30 EGEDLO CC/C(C)=C/C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187787870 1388162557 /nfs/dbraw/zinc/16/25/57/1388162557.db2.gz PVWNCBOCDRBERI-YLIRLVPWSA-N 1 2 341.430 3.086 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@H]([NH2+]Cc2nc(C3CCC3)no2)C1 ZINC001209183566 1372028859 /nfs/dbraw/zinc/02/88/59/1372028859.db2.gz OPYUKDSNQHBKCT-HOCLYGCPSA-N 1 2 346.475 3.020 20 30 EGEDLO C=CCC[C@@H]1CCCN1c1nnc([C@@H]2CCCC[N@@H+]2C)n1CCOC ZINC001122210390 1372202255 /nfs/dbraw/zinc/20/22/55/1372202255.db2.gz JVXFBXVAFJNCAF-SJORKVTESA-N 1 2 347.507 3.016 20 30 EGEDLO C=CCC[C@@H]1CCCN1c1nnc([C@@H]2CCCC[N@H+]2C)n1CCOC ZINC001122210390 1372202259 /nfs/dbraw/zinc/20/22/59/1372202259.db2.gz JVXFBXVAFJNCAF-SJORKVTESA-N 1 2 347.507 3.016 20 30 EGEDLO COc1cc(C#N)c(F)cc1Nc1ccccc1C[NH+]1CCOCC1 ZINC001209932145 1372234586 /nfs/dbraw/zinc/23/45/86/1372234586.db2.gz KVLLHAZVLPNGRN-UHFFFAOYSA-N 1 2 341.386 3.282 20 30 EGEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001122490792 1372259205 /nfs/dbraw/zinc/25/92/05/1372259205.db2.gz URXHHDAMLNJSBX-MRXNPFEDSA-N 1 2 342.491 3.051 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCCC(F)(F)CC1 ZINC001122529879 1372267551 /nfs/dbraw/zinc/26/75/51/1372267551.db2.gz QSBJVIOCULGUBZ-CQSZACIVSA-N 1 2 339.434 3.247 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCCC(F)(F)CC1 ZINC001122529879 1372267555 /nfs/dbraw/zinc/26/75/55/1372267555.db2.gz QSBJVIOCULGUBZ-CQSZACIVSA-N 1 2 339.434 3.247 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001122536401 1372268514 /nfs/dbraw/zinc/26/85/14/1372268514.db2.gz AYPGGSNWHYGTFQ-XHSDSOJGSA-N 1 2 349.548 3.341 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001122536401 1372268515 /nfs/dbraw/zinc/26/85/15/1372268515.db2.gz AYPGGSNWHYGTFQ-XHSDSOJGSA-N 1 2 349.548 3.341 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C[C@@H]1C ZINC001123291005 1372416249 /nfs/dbraw/zinc/41/62/49/1372416249.db2.gz SCRFGFYZQSTQJZ-HOCLYGCPSA-N 1 2 342.487 3.421 20 30 EGEDLO CCCCCCCCC(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001210804774 1372430074 /nfs/dbraw/zinc/43/00/74/1372430074.db2.gz MNVMEWNRIZSXES-MRXNPFEDSA-N 1 2 336.480 3.209 20 30 EGEDLO C=CCCCC(=O)N[C@@]12CCC[C@@H]1N(c1cc(C)[nH+]c(CC)n1)CC2 ZINC001123460559 1372478068 /nfs/dbraw/zinc/47/80/68/1372478068.db2.gz YDSVIGNKMZGUQZ-OXJNMPFZSA-N 1 2 342.487 3.321 20 30 EGEDLO C=CCC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1c1ccccc1 ZINC001211605423 1372588894 /nfs/dbraw/zinc/58/88/94/1372588894.db2.gz NPKNBYJLBPUKTR-RRFJBIMHSA-N 1 2 344.352 3.047 20 30 EGEDLO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1c1ccccc1 ZINC001211605423 1372588899 /nfs/dbraw/zinc/58/88/99/1372588899.db2.gz NPKNBYJLBPUKTR-RRFJBIMHSA-N 1 2 344.352 3.047 20 30 EGEDLO N#Cc1cnn(-c2ccccn2)c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212694193 1372755181 /nfs/dbraw/zinc/75/51/81/1372755181.db2.gz OEMFWCPBHQRYHI-UHFFFAOYSA-N 1 2 341.378 3.127 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001188057079 1388230079 /nfs/dbraw/zinc/23/00/79/1388230079.db2.gz LSXFRXRZMKMPAQ-FWRQMEPDSA-N 1 2 331.287 3.440 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001188057079 1388230082 /nfs/dbraw/zinc/23/00/82/1388230082.db2.gz LSXFRXRZMKMPAQ-FWRQMEPDSA-N 1 2 331.287 3.440 20 30 EGEDLO N#Cc1ccccc1Nc1ccc(OCC[NH+]2CCOCC2)cc1F ZINC001213483576 1372912103 /nfs/dbraw/zinc/91/21/03/1372912103.db2.gz ULVNLSBXRVGBFO-UHFFFAOYSA-N 1 2 341.386 3.152 20 30 EGEDLO C=CCCCC(=O)N(C)C1CC(Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001127066605 1373079743 /nfs/dbraw/zinc/07/97/43/1373079743.db2.gz FRRDYUKZAIXGOB-UHFFFAOYSA-N 1 2 328.460 3.420 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)C=C(C)C)c2C1 ZINC001128178746 1373229767 /nfs/dbraw/zinc/22/97/67/1373229767.db2.gz SRPYIQSYZFKKMZ-UHFFFAOYSA-N 1 2 330.476 3.028 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)C=C(C)C)c2C1 ZINC001128178746 1373229773 /nfs/dbraw/zinc/22/97/73/1373229773.db2.gz SRPYIQSYZFKKMZ-UHFFFAOYSA-N 1 2 330.476 3.028 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)C3=CCCC3)c2C1 ZINC001128290715 1373247504 /nfs/dbraw/zinc/24/75/04/1373247504.db2.gz RXVXTHWVDUXFCY-UHFFFAOYSA-N 1 2 344.503 3.396 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)C3=CCCC3)c2C1 ZINC001128290715 1373247508 /nfs/dbraw/zinc/24/75/08/1373247508.db2.gz RXVXTHWVDUXFCY-UHFFFAOYSA-N 1 2 344.503 3.396 20 30 EGEDLO C=CC1(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnsn3)C2)CCCCC1 ZINC001215897026 1373248811 /nfs/dbraw/zinc/24/88/11/1373248811.db2.gz VXZWEMKMOZAOPK-GDBMZVCRSA-N 1 2 348.516 3.001 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)C3(C)CC3)c2C1 ZINC001128363456 1373256598 /nfs/dbraw/zinc/25/65/98/1373256598.db2.gz ZJACCDMGEOEGOO-UHFFFAOYSA-N 1 2 332.492 3.085 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)C3(C)CC3)c2C1 ZINC001128363456 1373256602 /nfs/dbraw/zinc/25/66/02/1373256602.db2.gz ZJACCDMGEOEGOO-UHFFFAOYSA-N 1 2 332.492 3.085 20 30 EGEDLO C=C(C)CCC(=O)NCc1cnn2c1C[N@H+](CCCC1CCC1)CC2 ZINC001128371698 1373258816 /nfs/dbraw/zinc/25/88/16/1373258816.db2.gz CFIQOOCPIUPDRC-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO C=C(C)CCC(=O)NCc1cnn2c1C[N@@H+](CCCC1CCC1)CC2 ZINC001128371698 1373258818 /nfs/dbraw/zinc/25/88/18/1373258818.db2.gz CFIQOOCPIUPDRC-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)CCC1(C)CC1)C[C@H](C)O2 ZINC001131692511 1373766118 /nfs/dbraw/zinc/76/61/18/1373766118.db2.gz HUYIZMVFHMXNKT-YJBOKZPZSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CCC1(C)CC1)C[C@H](C)O2 ZINC001131692511 1373766123 /nfs/dbraw/zinc/76/61/23/1373766123.db2.gz HUYIZMVFHMXNKT-YJBOKZPZSA-N 1 2 340.895 3.011 20 30 EGEDLO CCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001131746284 1373782644 /nfs/dbraw/zinc/78/26/44/1373782644.db2.gz BMEMQEYROFBMLV-RDJZCZTQSA-N 1 2 332.875 3.461 20 30 EGEDLO CCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001131746284 1373782647 /nfs/dbraw/zinc/78/26/47/1373782647.db2.gz BMEMQEYROFBMLV-RDJZCZTQSA-N 1 2 332.875 3.461 20 30 EGEDLO C=CCn1cc(-c2ccc(-c3ccc(-n4cc[nH+]c4)cc3)nn2)cn1 ZINC001222382170 1373831076 /nfs/dbraw/zinc/83/10/76/1373831076.db2.gz GQASVSXJCQEXDU-UHFFFAOYSA-N 1 2 328.379 3.379 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2nc3ccc(F)cc3o2)C1 ZINC001131896718 1375033429 /nfs/dbraw/zinc/03/34/29/1375033429.db2.gz VESBJPWJPGRPSB-HIFRSBDPSA-N 1 2 345.418 3.402 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2nc3ccc(F)cc3o2)C1 ZINC001131896718 1375033435 /nfs/dbraw/zinc/03/34/35/1375033435.db2.gz VESBJPWJPGRPSB-HIFRSBDPSA-N 1 2 345.418 3.402 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)CCC2CC2)CC[C@H]1C ZINC001131921339 1375046846 /nfs/dbraw/zinc/04/68/46/1375046846.db2.gz ALRWMKGCDLEAPV-TZMCWYRMSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)CCC2CC2)CC[C@H]1C ZINC001131921339 1375046851 /nfs/dbraw/zinc/04/68/51/1375046851.db2.gz ALRWMKGCDLEAPV-TZMCWYRMSA-N 1 2 329.282 3.054 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2csc(CCC)n2)C1 ZINC001132001951 1375092777 /nfs/dbraw/zinc/09/27/77/1375092777.db2.gz FWRPMKBIBQEJNO-HZPDHXFCSA-N 1 2 347.528 3.368 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2csc(CCC)n2)C1 ZINC001132001951 1375092783 /nfs/dbraw/zinc/09/27/83/1375092783.db2.gz FWRPMKBIBQEJNO-HZPDHXFCSA-N 1 2 347.528 3.368 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001132001713 1375092798 /nfs/dbraw/zinc/09/27/98/1375092798.db2.gz CCWUTAKNAVTJKH-HOCLYGCPSA-N 1 2 348.874 3.318 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC001132001713 1375092802 /nfs/dbraw/zinc/09/28/02/1375092802.db2.gz CCWUTAKNAVTJKH-HOCLYGCPSA-N 1 2 348.874 3.318 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC001132017012 1375100604 /nfs/dbraw/zinc/10/06/04/1375100604.db2.gz LYSKZSKKRADHGS-ZBFHGGJFSA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC001132017012 1375100608 /nfs/dbraw/zinc/10/06/08/1375100608.db2.gz LYSKZSKKRADHGS-ZBFHGGJFSA-N 1 2 334.410 3.093 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1ccc(Cl)s1 ZINC001132033667 1375108658 /nfs/dbraw/zinc/10/86/58/1375108658.db2.gz JLKDQYCHEKDTRV-JSGCOSHPSA-N 1 2 336.888 3.284 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1ccc(Cl)s1 ZINC001132033667 1375108660 /nfs/dbraw/zinc/10/86/60/1375108660.db2.gz JLKDQYCHEKDTRV-JSGCOSHPSA-N 1 2 336.888 3.284 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCc2cncc(C)c2)CC[C@@H]1C ZINC001132170525 1375185562 /nfs/dbraw/zinc/18/55/62/1375185562.db2.gz ZTMVCOCMIBXOTP-RDJZCZTQSA-N 1 2 335.879 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCc2cncc(C)c2)CC[C@@H]1C ZINC001132170525 1375185564 /nfs/dbraw/zinc/18/55/64/1375185564.db2.gz ZTMVCOCMIBXOTP-RDJZCZTQSA-N 1 2 335.879 3.044 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)CC2(C)CC2)CC[C@H]1C ZINC001132191597 1375198613 /nfs/dbraw/zinc/19/86/13/1375198613.db2.gz VGPLURXVMXRQAP-CHWSQXEVSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)CC2(C)CC2)CC[C@H]1C ZINC001132191597 1375198615 /nfs/dbraw/zinc/19/86/15/1375198615.db2.gz VGPLURXVMXRQAP-CHWSQXEVSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cncc(F)c2)C1 ZINC001132217256 1375214341 /nfs/dbraw/zinc/21/43/41/1375214341.db2.gz AGVATNYQRWVDPV-PBHICJAKSA-N 1 2 333.451 3.292 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cncc(F)c2)C1 ZINC001132217256 1375214347 /nfs/dbraw/zinc/21/43/47/1375214347.db2.gz AGVATNYQRWVDPV-PBHICJAKSA-N 1 2 333.451 3.292 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001132227810 1375223131 /nfs/dbraw/zinc/22/31/31/1375223131.db2.gz ITHUYKXDCWWMQV-YJBOKZPZSA-N 1 2 345.487 3.344 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001132227810 1375223138 /nfs/dbraw/zinc/22/31/38/1375223138.db2.gz ITHUYKXDCWWMQV-YJBOKZPZSA-N 1 2 345.487 3.344 20 30 EGEDLO C#C[C@@H]1CCC[C@@H]1Oc1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001226564423 1375283255 /nfs/dbraw/zinc/28/32/55/1375283255.db2.gz CTENRPWSQFUWLE-XLIONFOSSA-N 1 2 333.435 3.216 20 30 EGEDLO C#C[C@@H]1CCC[C@@H]1Oc1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001226564423 1375283260 /nfs/dbraw/zinc/28/32/60/1375283260.db2.gz CTENRPWSQFUWLE-XLIONFOSSA-N 1 2 333.435 3.216 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001132327781 1375306027 /nfs/dbraw/zinc/30/60/27/1375306027.db2.gz VMIQUSIXMJNUMJ-CJNGLKHVSA-N 1 2 333.476 3.363 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001132327781 1375306031 /nfs/dbraw/zinc/30/60/31/1375306031.db2.gz VMIQUSIXMJNUMJ-CJNGLKHVSA-N 1 2 333.476 3.363 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)oc2C)C1 ZINC001132332469 1375312408 /nfs/dbraw/zinc/31/24/08/1375312408.db2.gz UTBUIOOTXNTKSX-CJNGLKHVSA-N 1 2 333.476 3.363 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2nc(C)oc2C)C1 ZINC001132332469 1375312410 /nfs/dbraw/zinc/31/24/10/1375312410.db2.gz UTBUIOOTXNTKSX-CJNGLKHVSA-N 1 2 333.476 3.363 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2ccc3c(c2)CC(=O)CC3)C1 ZINC001226935228 1375360843 /nfs/dbraw/zinc/36/08/43/1375360843.db2.gz TWXVOVIKFXORCS-JOCHJYFZSA-N 1 2 346.430 3.269 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccc3c(c2)CC(=O)CC3)C1 ZINC001226935228 1375360849 /nfs/dbraw/zinc/36/08/49/1375360849.db2.gz TWXVOVIKFXORCS-JOCHJYFZSA-N 1 2 346.430 3.269 20 30 EGEDLO N#Cc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)c(F)c1 ZINC001133032858 1375726616 /nfs/dbraw/zinc/72/66/16/1375726616.db2.gz KOJHNNZAUHVFSZ-SFHVURJKSA-N 1 2 334.354 3.065 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC1CC[NH+]([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC001229015900 1375738984 /nfs/dbraw/zinc/73/89/84/1375738984.db2.gz CVKIHJBJDFNYAQ-IFXJQAMLSA-N 1 2 348.491 3.437 20 30 EGEDLO N#Cc1ccc(Cl)c(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001229247170 1375794303 /nfs/dbraw/zinc/79/43/03/1375794303.db2.gz AYYNEUXRSMGDGC-KRWDZBQOSA-N 1 2 342.826 3.491 20 30 EGEDLO N#Cc1ccc(Cl)c(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001229247170 1375794311 /nfs/dbraw/zinc/79/43/11/1375794311.db2.gz AYYNEUXRSMGDGC-KRWDZBQOSA-N 1 2 342.826 3.491 20 30 EGEDLO N#Cc1ccnnc1O[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001229607564 1375864119 /nfs/dbraw/zinc/86/41/19/1375864119.db2.gz OBIVJZCQOADJJR-CYBMUJFWSA-N 1 2 349.221 3.308 20 30 EGEDLO N#Cc1ccnnc1O[C@@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001229607564 1375864125 /nfs/dbraw/zinc/86/41/25/1375864125.db2.gz OBIVJZCQOADJJR-CYBMUJFWSA-N 1 2 349.221 3.308 20 30 EGEDLO C=CC[C@@H](C(=O)NC1CC[NH+](Cc2ccon2)CC1)c1ccccc1 ZINC001230324497 1375996341 /nfs/dbraw/zinc/99/63/41/1375996341.db2.gz QLFONOHTKAYRRC-LJQANCHMSA-N 1 2 339.439 3.115 20 30 EGEDLO C=C[C@H](C(=O)NC1CC[NH+](Cc2nocc2C)CC1)c1ccccc1 ZINC001230334102 1376001188 /nfs/dbraw/zinc/00/11/88/1376001188.db2.gz HIMHVUJOKVBHNN-SFHVURJKSA-N 1 2 339.439 3.033 20 30 EGEDLO C#C[C@H](Oc1ccc2c(c1)[C@H]1OCC[N@@H+](CCC)[C@@H]1CO2)C(C)C ZINC001230425931 1376027463 /nfs/dbraw/zinc/02/74/63/1376027463.db2.gz BXCDMHGXYDYAGZ-WSTZPKSXSA-N 1 2 329.440 3.268 20 30 EGEDLO C#C[C@H](Oc1ccc2c(c1)[C@H]1OCC[N@H+](CCC)[C@@H]1CO2)C(C)C ZINC001230425931 1376027473 /nfs/dbraw/zinc/02/74/73/1376027473.db2.gz BXCDMHGXYDYAGZ-WSTZPKSXSA-N 1 2 329.440 3.268 20 30 EGEDLO C=C(Cl)C[N@H+](CCCNC(=O)/C=C/C1CC1)Cc1cccnc1 ZINC001230720796 1376131756 /nfs/dbraw/zinc/13/17/56/1376131756.db2.gz OZWGXDQZKIUXQU-BQYQJAHWSA-N 1 2 333.863 3.109 20 30 EGEDLO C=C(Cl)C[N@@H+](CCCNC(=O)/C=C/C1CC1)Cc1cccnc1 ZINC001230720796 1376131758 /nfs/dbraw/zinc/13/17/58/1376131758.db2.gz OZWGXDQZKIUXQU-BQYQJAHWSA-N 1 2 333.863 3.109 20 30 EGEDLO CCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001230775970 1376149757 /nfs/dbraw/zinc/14/97/57/1376149757.db2.gz NXXRKWSNEQURHM-QGZVFWFLSA-N 1 2 331.435 3.310 20 30 EGEDLO CCCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001230775970 1376149758 /nfs/dbraw/zinc/14/97/58/1376149758.db2.gz NXXRKWSNEQURHM-QGZVFWFLSA-N 1 2 331.435 3.310 20 30 EGEDLO C/C(=C\C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C1CC1 ZINC001230948696 1376185554 /nfs/dbraw/zinc/18/55/54/1376185554.db2.gz PJGKDSUGPMYJHO-MOVXZBDNSA-N 1 2 341.430 3.086 20 30 EGEDLO C/C(=C\C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C1CC1 ZINC001230948696 1376185557 /nfs/dbraw/zinc/18/55/57/1376185557.db2.gz PJGKDSUGPMYJHO-MOVXZBDNSA-N 1 2 341.430 3.086 20 30 EGEDLO CCC[C@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001231313050 1376227398 /nfs/dbraw/zinc/22/73/98/1376227398.db2.gz UUKCQEDXVFEQIE-LPHOPBHVSA-N 1 2 330.447 3.146 20 30 EGEDLO CCC[C@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001231313050 1376227403 /nfs/dbraw/zinc/22/74/03/1376227403.db2.gz UUKCQEDXVFEQIE-LPHOPBHVSA-N 1 2 330.447 3.146 20 30 EGEDLO CSc1nc2ccc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@H+]4C)cc2s1 ZINC001231376882 1376232316 /nfs/dbraw/zinc/23/23/16/1376232316.db2.gz PCGGVQOADYNBEG-HJTUNCCVSA-N 1 2 334.466 3.009 20 30 EGEDLO CSc1nc2ccc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@@H+]4C)cc2s1 ZINC001231376882 1376232318 /nfs/dbraw/zinc/23/23/18/1376232318.db2.gz PCGGVQOADYNBEG-HJTUNCCVSA-N 1 2 334.466 3.009 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3nc4c(s3)CCCC4)CC2)cc1 ZINC001231582710 1376271702 /nfs/dbraw/zinc/27/17/02/1376271702.db2.gz XDIKCUKZIKQCNI-UHFFFAOYSA-N 1 2 338.480 3.216 20 30 EGEDLO COc1cc(C#N)ccc1C[N@@H+]1CCO[C@@](C)(c2ccc(F)cc2)C1 ZINC001231620362 1376282216 /nfs/dbraw/zinc/28/22/16/1376282216.db2.gz XJKHCWHPJQVKRM-HXUWFJFHSA-N 1 2 340.398 3.454 20 30 EGEDLO COc1cc(C#N)ccc1C[N@H+]1CCO[C@@](C)(c2ccc(F)cc2)C1 ZINC001231620362 1376282218 /nfs/dbraw/zinc/28/22/18/1376282218.db2.gz XJKHCWHPJQVKRM-HXUWFJFHSA-N 1 2 340.398 3.454 20 30 EGEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2ncsc2C)CC1 ZINC001232211888 1376418253 /nfs/dbraw/zinc/41/82/53/1376418253.db2.gz KAZVDVHZCBWEGB-UHFFFAOYSA-N 1 2 343.452 3.375 20 30 EGEDLO N#Cc1ccccc1OC1C[NH+](Cc2ccc(O)c3ncccc23)C1 ZINC001232276629 1376429111 /nfs/dbraw/zinc/42/91/11/1376429111.db2.gz CSOUQZCYNMHNFV-UHFFFAOYSA-N 1 2 331.375 3.075 20 30 EGEDLO CC[C@H]1C[N@H+](Cc2cc(C#N)ccc2O)CCN1C(=O)OC(C)(C)C ZINC001232679748 1376500735 /nfs/dbraw/zinc/50/07/35/1376500735.db2.gz RKHXYEDSBVJRRC-INIZCTEOSA-N 1 2 345.443 3.095 20 30 EGEDLO CC[C@H]1C[N@@H+](Cc2cc(C#N)ccc2O)CCN1C(=O)OC(C)(C)C ZINC001232679748 1376500743 /nfs/dbraw/zinc/50/07/43/1376500743.db2.gz RKHXYEDSBVJRRC-INIZCTEOSA-N 1 2 345.443 3.095 20 30 EGEDLO N#Cc1ccc(F)cc1CN1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001232888622 1376532261 /nfs/dbraw/zinc/53/22/61/1376532261.db2.gz HWMSKLATMNVENM-UHFFFAOYSA-N 1 2 327.378 3.154 20 30 EGEDLO Cc1ccc(C[NH+]2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)c(C#N)c1 ZINC001232963144 1376548647 /nfs/dbraw/zinc/54/86/47/1376548647.db2.gz BBGXNULXRMGPQD-UHFFFAOYSA-N 1 2 341.455 3.310 20 30 EGEDLO Cc1ccc(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)c(C#N)c1 ZINC001232967822 1376550147 /nfs/dbraw/zinc/55/01/47/1376550147.db2.gz XPJRKSUOSKQSQS-INIZCTEOSA-N 1 2 326.362 3.392 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2O)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001233386694 1376633342 /nfs/dbraw/zinc/63/33/42/1376633342.db2.gz FARGWXAKAQGUHX-OKILXGFUSA-N 1 2 345.443 3.094 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2O)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001233386694 1376633348 /nfs/dbraw/zinc/63/33/48/1376633348.db2.gz FARGWXAKAQGUHX-OKILXGFUSA-N 1 2 345.443 3.094 20 30 EGEDLO C[C@@]1(c2ccc(F)cc2)C[N@H+](Cc2ccc(C#N)cc2O)CCO1 ZINC001233386976 1376634411 /nfs/dbraw/zinc/63/44/11/1376634411.db2.gz PGGVFLCZEBLCBN-IBGZPJMESA-N 1 2 326.371 3.151 20 30 EGEDLO C[C@@]1(c2ccc(F)cc2)C[N@@H+](Cc2ccc(C#N)cc2O)CCO1 ZINC001233386976 1376634415 /nfs/dbraw/zinc/63/44/15/1376634415.db2.gz PGGVFLCZEBLCBN-IBGZPJMESA-N 1 2 326.371 3.151 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1)C(=O)C=C1CCC1 ZINC001233634790 1376689485 /nfs/dbraw/zinc/68/94/85/1376689485.db2.gz OFSWZNBPMOPTGA-LJQANCHMSA-N 1 2 342.870 3.335 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1)C(=O)C=C1CCC1 ZINC001233634790 1376689494 /nfs/dbraw/zinc/68/94/94/1376689494.db2.gz OFSWZNBPMOPTGA-LJQANCHMSA-N 1 2 342.870 3.335 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)c1cc(F)ccc1F ZINC001233915319 1376737101 /nfs/dbraw/zinc/73/71/01/1376737101.db2.gz MYZSMIRFVPNADD-ZBFHGGJFSA-N 1 2 334.410 3.362 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)c1cc(F)ccc1F ZINC001233915319 1376737105 /nfs/dbraw/zinc/73/71/05/1376737105.db2.gz MYZSMIRFVPNADD-ZBFHGGJFSA-N 1 2 334.410 3.362 20 30 EGEDLO C=CC1(CC(=O)NCC[NH2+]Cc2nc(C3CCC3)no2)CCCCC1 ZINC001135196679 1376966849 /nfs/dbraw/zinc/96/68/49/1376966849.db2.gz DIQQXUUXZZAUPF-UHFFFAOYSA-N 1 2 346.475 3.070 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)c2ccc(OC)cc2)C1 ZINC001266361152 1377296163 /nfs/dbraw/zinc/29/61/63/1377296163.db2.gz IHGNZMUYHRAWRB-WBVHZDCISA-N 1 2 336.863 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)c2ccc(OC)cc2)C1 ZINC001266361152 1377296165 /nfs/dbraw/zinc/29/61/65/1377296165.db2.gz IHGNZMUYHRAWRB-WBVHZDCISA-N 1 2 336.863 3.132 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(Cl)nc1F)C2 ZINC001137473978 1377554014 /nfs/dbraw/zinc/55/40/14/1377554014.db2.gz CVPFUJIZMZPSJK-WMLDXEAASA-N 1 2 340.826 3.200 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(Cl)nc1F)C2 ZINC001137473978 1377554016 /nfs/dbraw/zinc/55/40/16/1377554016.db2.gz CVPFUJIZMZPSJK-WMLDXEAASA-N 1 2 340.826 3.200 20 30 EGEDLO COc1ccc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)c(C#N)c1 ZINC001137703675 1377599807 /nfs/dbraw/zinc/59/98/07/1377599807.db2.gz TVZLGQDRCKGXIB-UHFFFAOYSA-N 1 2 330.428 3.121 20 30 EGEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3ccc(F)c(F)c3F)CC2)nc1 ZINC001137938954 1377649001 /nfs/dbraw/zinc/64/90/01/1377649001.db2.gz BLKLECBUXFOTFQ-UHFFFAOYSA-N 1 2 346.356 3.083 20 30 EGEDLO N#Cc1ccc(N2CCC[N@H+](Cc3ccc(F)c(F)c3F)CC2)nc1 ZINC001137938954 1377649004 /nfs/dbraw/zinc/64/90/04/1377649004.db2.gz BLKLECBUXFOTFQ-UHFFFAOYSA-N 1 2 346.356 3.083 20 30 EGEDLO C#CCOc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1 ZINC001138556458 1377741647 /nfs/dbraw/zinc/74/16/47/1377741647.db2.gz WJPCKCOLADZSBX-INIZCTEOSA-N 1 2 344.455 3.140 20 30 EGEDLO C#CCOc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1 ZINC001138556458 1377741648 /nfs/dbraw/zinc/74/16/48/1377741648.db2.gz WJPCKCOLADZSBX-INIZCTEOSA-N 1 2 344.455 3.140 20 30 EGEDLO N#Cc1ccc2c(c1)CC[N@@H+](Cc1cncn1Cc1ccccc1)C2 ZINC001138561536 1377742849 /nfs/dbraw/zinc/74/28/49/1377742849.db2.gz XSVXPZWFQAZECQ-UHFFFAOYSA-N 1 2 328.419 3.361 20 30 EGEDLO N#Cc1ccc2c(c1)CC[N@H+](Cc1cncn1Cc1ccccc1)C2 ZINC001138561536 1377742852 /nfs/dbraw/zinc/74/28/52/1377742852.db2.gz XSVXPZWFQAZECQ-UHFFFAOYSA-N 1 2 328.419 3.361 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cnc3[nH]ccc3c2Cl)C1 ZINC001138934357 1377805276 /nfs/dbraw/zinc/80/52/76/1377805276.db2.gz AWQYPRHWMFIMJF-CYBMUJFWSA-N 1 2 348.834 3.045 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cnc3[nH]ccc3c2Cl)C1 ZINC001138934357 1377805278 /nfs/dbraw/zinc/80/52/78/1377805278.db2.gz AWQYPRHWMFIMJF-CYBMUJFWSA-N 1 2 348.834 3.045 20 30 EGEDLO COc1cc(O[C@H]2CC[N@H+](Cc3cccc(Cl)c3C#N)C2)ccn1 ZINC001139692784 1377936404 /nfs/dbraw/zinc/93/64/04/1377936404.db2.gz JCBTXKUKTRPYRL-HNNXBMFYSA-N 1 2 343.814 3.269 20 30 EGEDLO COc1cc(O[C@H]2CC[N@@H+](Cc3cccc(Cl)c3C#N)C2)ccn1 ZINC001139692784 1377936405 /nfs/dbraw/zinc/93/64/05/1377936405.db2.gz JCBTXKUKTRPYRL-HNNXBMFYSA-N 1 2 343.814 3.269 20 30 EGEDLO CC(C)(C)OC(=O)NC1(C)C[NH+](Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140115004 1378011894 /nfs/dbraw/zinc/01/18/94/1378011894.db2.gz JDAMAIGADMNBPD-UHFFFAOYSA-N 1 2 340.427 3.139 20 30 EGEDLO N#Cc1ccc2[nH]cc(C[N@@H+]3CCN4CCc5ccccc5[C@@H]4C3)c2c1 ZINC001140115551 1378012034 /nfs/dbraw/zinc/01/20/34/1378012034.db2.gz GCKGKZKYWCYFRK-QFIPXVFZSA-N 1 2 342.446 3.455 20 30 EGEDLO N#Cc1ccc2[nH]cc(C[N@H+]3CCN4CCc5ccccc5[C@@H]4C3)c2c1 ZINC001140115551 1378012036 /nfs/dbraw/zinc/01/20/36/1378012036.db2.gz GCKGKZKYWCYFRK-QFIPXVFZSA-N 1 2 342.446 3.455 20 30 EGEDLO CC(C)(C)CC(=O)N1CC[NH+](Cc2c[nH]c3ccc(C#N)cc23)CC1 ZINC001140116058 1378012041 /nfs/dbraw/zinc/01/20/41/1378012041.db2.gz PTXBIDVGEMDIST-UHFFFAOYSA-N 1 2 338.455 3.120 20 30 EGEDLO Cc1csc([C@H]2C[C@@H]3CC[N@H+](Cc4ccc(C#N)nc4)C[C@H]3O2)n1 ZINC001140541238 1378081856 /nfs/dbraw/zinc/08/18/56/1378081856.db2.gz AMZMJSFYXCHBCO-USXIJHARSA-N 1 2 340.452 3.070 20 30 EGEDLO Cc1csc([C@H]2C[C@@H]3CC[N@@H+](Cc4ccc(C#N)nc4)C[C@H]3O2)n1 ZINC001140541238 1378081862 /nfs/dbraw/zinc/08/18/62/1378081862.db2.gz AMZMJSFYXCHBCO-USXIJHARSA-N 1 2 340.452 3.070 20 30 EGEDLO C=CCN1C[C@@]2(F)C[N@@H+](CCCCC/C=C\CC)C[C@@]2(F)C1=O ZINC001273135628 1378090197 /nfs/dbraw/zinc/09/01/97/1378090197.db2.gz QYHUJMBCMNSOMN-FDICQLOXSA-N 1 2 326.431 3.273 20 30 EGEDLO C=CCN1C[C@@]2(F)C[N@H+](CCCCC/C=C\CC)C[C@@]2(F)C1=O ZINC001273135628 1378090199 /nfs/dbraw/zinc/09/01/99/1378090199.db2.gz QYHUJMBCMNSOMN-FDICQLOXSA-N 1 2 326.431 3.273 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(Cl)ccc3N)CC2)c(F)c1 ZINC001140718077 1378123895 /nfs/dbraw/zinc/12/38/95/1378123895.db2.gz SHCDKYNQEGBKBP-UHFFFAOYSA-N 1 2 344.821 3.255 20 30 EGEDLO CCc1nc(C2CC[NH+](Cc3cc(F)c(C#N)c(F)c3)CC2)no1 ZINC001140756276 1378131128 /nfs/dbraw/zinc/13/11/28/1378131128.db2.gz JBINTSZQQZLRFC-UHFFFAOYSA-N 1 2 332.354 3.161 20 30 EGEDLO N#Cc1c(N)sc(C[NH+]2CCN(c3ccccc3)CC2)c1Cl ZINC001141109551 1378241319 /nfs/dbraw/zinc/24/13/19/1378241319.db2.gz UBBHRIWIKDBXDU-UHFFFAOYSA-N 1 2 332.860 3.178 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cccc(OC)c1F)CCO2 ZINC001141221844 1378274132 /nfs/dbraw/zinc/27/41/32/1378274132.db2.gz ZYVRTZFJRMYQFF-FXAWDEMLSA-N 1 2 349.446 3.408 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cccc(OC)c1F)CCO2 ZINC001141221844 1378274134 /nfs/dbraw/zinc/27/41/34/1378274134.db2.gz ZYVRTZFJRMYQFF-FXAWDEMLSA-N 1 2 349.446 3.408 20 30 EGEDLO N#Cc1ccc(Oc2ccc(C[N@H+]3CC[C@@H](O)[C@@H](F)C3)cc2)cc1 ZINC001141289322 1378291964 /nfs/dbraw/zinc/29/19/64/1378291964.db2.gz GOARLIZZXMWHAG-RBUKOAKNSA-N 1 2 326.371 3.255 20 30 EGEDLO N#Cc1ccc(Oc2ccc(C[N@@H+]3CC[C@@H](O)[C@@H](F)C3)cc2)cc1 ZINC001141289322 1378291970 /nfs/dbraw/zinc/29/19/70/1378291970.db2.gz GOARLIZZXMWHAG-RBUKOAKNSA-N 1 2 326.371 3.255 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CCCC(=O)[C@@H]2C1 ZINC001141818797 1378381625 /nfs/dbraw/zinc/38/16/25/1378381625.db2.gz WANRPGFGDYAQPV-SWLSCSKDSA-N 1 2 333.229 3.122 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@H+]1C[C@@H]2CCCC(=O)[C@@H]2C1 ZINC001141818797 1378381631 /nfs/dbraw/zinc/38/16/31/1378381631.db2.gz WANRPGFGDYAQPV-SWLSCSKDSA-N 1 2 333.229 3.122 20 30 EGEDLO N#Cc1ccc(Br)cc1C[N@H+]1CCCC[C@](O)(CF)C1 ZINC001141894716 1378390971 /nfs/dbraw/zinc/39/09/71/1378390971.db2.gz RDKNTCJFEUCVFK-HNNXBMFYSA-N 1 2 341.224 3.007 20 30 EGEDLO N#Cc1ccc(Br)cc1C[N@@H+]1CCCC[C@](O)(CF)C1 ZINC001141894716 1378390975 /nfs/dbraw/zinc/39/09/75/1378390975.db2.gz RDKNTCJFEUCVFK-HNNXBMFYSA-N 1 2 341.224 3.007 20 30 EGEDLO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001141972077 1378400329 /nfs/dbraw/zinc/40/03/29/1378400329.db2.gz AXWTURNNTFTINM-LJQANCHMSA-N 1 2 343.423 3.235 20 30 EGEDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001141972077 1378400330 /nfs/dbraw/zinc/40/03/30/1378400330.db2.gz AXWTURNNTFTINM-LJQANCHMSA-N 1 2 343.423 3.235 20 30 EGEDLO N#Cc1ccc2c(C[NH+]3CC(Oc4ccccc4C#N)C3)c[nH]c2c1 ZINC001142929239 1378511600 /nfs/dbraw/zinc/51/16/00/1378511600.db2.gz ATMNBHHOLSJKGA-UHFFFAOYSA-N 1 2 328.375 3.174 20 30 EGEDLO C=CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OCC ZINC001144798966 1378772861 /nfs/dbraw/zinc/77/28/61/1378772861.db2.gz PQIOQKVGFNUJHB-KRWDZBQOSA-N 1 2 349.475 3.307 20 30 EGEDLO C=CCCCCCCCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OCC ZINC001144798966 1378772862 /nfs/dbraw/zinc/77/28/62/1378772862.db2.gz PQIOQKVGFNUJHB-KRWDZBQOSA-N 1 2 349.475 3.307 20 30 EGEDLO C=CCCC(=O)N1CC2(C1)CC[N@@H+](Cc1csc(CCC)n1)C2 ZINC001147165095 1378980190 /nfs/dbraw/zinc/98/01/90/1378980190.db2.gz AGWUUJQQJMSPBE-UHFFFAOYSA-N 1 2 333.501 3.096 20 30 EGEDLO C=CCCC(=O)N1CC2(C1)CC[N@H+](Cc1csc(CCC)n1)C2 ZINC001147165095 1378980194 /nfs/dbraw/zinc/98/01/94/1378980194.db2.gz AGWUUJQQJMSPBE-UHFFFAOYSA-N 1 2 333.501 3.096 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)C[C@H](C)C(C)C)C2)C1 ZINC001147244393 1378996430 /nfs/dbraw/zinc/99/64/30/1378996430.db2.gz DRYUWUSKFNZHFF-ZDUSSCGKSA-N 1 2 343.309 3.112 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)C[C@H](C)C(C)C)C2)C1 ZINC001147244393 1378996431 /nfs/dbraw/zinc/99/64/31/1378996431.db2.gz DRYUWUSKFNZHFF-ZDUSSCGKSA-N 1 2 343.309 3.112 20 30 EGEDLO CC#CCCCC(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C/Cl)C2 ZINC001148110813 1379119816 /nfs/dbraw/zinc/11/98/16/1379119816.db2.gz HBUXZMZSBIPICX-ZROIWOOFSA-N 1 2 329.271 3.033 20 30 EGEDLO CC#CCCCC(=O)N1CC2(C1)CC[N@@H+](C/C(Cl)=C/Cl)C2 ZINC001148110813 1379119818 /nfs/dbraw/zinc/11/98/18/1379119818.db2.gz HBUXZMZSBIPICX-ZROIWOOFSA-N 1 2 329.271 3.033 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C3CC3)o1)C2 ZINC001148131322 1379122721 /nfs/dbraw/zinc/12/27/21/1379122721.db2.gz SNLTVVZEOOFKGU-OAHLLOKOSA-N 1 2 343.471 3.189 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C3CC3)o1)C2 ZINC001148131322 1379122723 /nfs/dbraw/zinc/12/27/23/1379122723.db2.gz SNLTVVZEOOFKGU-OAHLLOKOSA-N 1 2 343.471 3.189 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1C[N@H+](CC=C(Cl)Cl)CCCO1 ZINC001150246287 1379522135 /nfs/dbraw/zinc/52/21/35/1379522135.db2.gz DLSCNNWDNWLMJK-CJNGLKHVSA-N 1 2 349.302 3.115 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](CC=C(Cl)Cl)CCCO1 ZINC001150246287 1379522139 /nfs/dbraw/zinc/52/21/39/1379522139.db2.gz DLSCNNWDNWLMJK-CJNGLKHVSA-N 1 2 349.302 3.115 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(F)cc1 ZINC001151572632 1379740404 /nfs/dbraw/zinc/74/04/04/1379740404.db2.gz SDHXLPRGIFTBOR-GFCCVEGCSA-N 1 2 343.240 3.175 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(F)cc1 ZINC001151572632 1379740406 /nfs/dbraw/zinc/74/04/06/1379740406.db2.gz SDHXLPRGIFTBOR-GFCCVEGCSA-N 1 2 343.240 3.175 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1cccs1 ZINC001151665313 1379761020 /nfs/dbraw/zinc/76/10/20/1379761020.db2.gz ZFDMVBJEDNVORJ-CYBMUJFWSA-N 1 2 345.443 3.399 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1cccs1 ZINC001151665313 1379761021 /nfs/dbraw/zinc/76/10/21/1379761021.db2.gz ZFDMVBJEDNVORJ-CYBMUJFWSA-N 1 2 345.443 3.399 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)c2cc(C(F)(F)F)c3ccccc3n2)CC1 ZINC001152148453 1379872294 /nfs/dbraw/zinc/87/22/94/1379872294.db2.gz XEACMAPYSPXNIW-UHFFFAOYSA-N 1 2 349.356 3.197 20 30 EGEDLO CCc1nc(C[N@@H+](CC)[C@H](C)CNC(=O)C#CC(C)(C)C)cs1 ZINC001153266002 1380046726 /nfs/dbraw/zinc/04/67/26/1380046726.db2.gz GBTYFKUBXGXXBL-CQSZACIVSA-N 1 2 335.517 3.082 20 30 EGEDLO CCc1nc(C[N@H+](CC)[C@H](C)CNC(=O)C#CC(C)(C)C)cs1 ZINC001153266002 1380046728 /nfs/dbraw/zinc/04/67/28/1380046728.db2.gz GBTYFKUBXGXXBL-CQSZACIVSA-N 1 2 335.517 3.082 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2c(F)cccc2F)CCC1 ZINC001153776858 1380126846 /nfs/dbraw/zinc/12/68/46/1380126846.db2.gz QSLCSHQUGBYDJU-OAHLLOKOSA-N 1 2 348.437 3.485 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2c(F)cccc2F)CCC1 ZINC001153776858 1380126850 /nfs/dbraw/zinc/12/68/50/1380126850.db2.gz QSLCSHQUGBYDJU-OAHLLOKOSA-N 1 2 348.437 3.485 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](C)[N@H+](CC)CC=C(Cl)Cl)CCC1 ZINC001153783917 1380128588 /nfs/dbraw/zinc/12/85/88/1380128588.db2.gz WJZGKWKBOIEUHY-CYBMUJFWSA-N 1 2 331.287 3.326 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)CC=C(Cl)Cl)CCC1 ZINC001153783917 1380128590 /nfs/dbraw/zinc/12/85/90/1380128590.db2.gz WJZGKWKBOIEUHY-CYBMUJFWSA-N 1 2 331.287 3.326 20 30 EGEDLO C=CCC[C@@H](C(=O)NCC[NH2+]Cc1ncc(CC)o1)c1ccccc1 ZINC001153817166 1380135582 /nfs/dbraw/zinc/13/55/82/1380135582.db2.gz MFYRUUIXAVFTEO-GOSISDBHSA-N 1 2 341.455 3.193 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1occc1CC ZINC001155062000 1380401057 /nfs/dbraw/zinc/40/10/57/1380401057.db2.gz QLXVSTVLSXMYLT-GFCCVEGCSA-N 1 2 343.265 3.191 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1occc1CC ZINC001155062000 1380401058 /nfs/dbraw/zinc/40/10/58/1380401058.db2.gz QLXVSTVLSXMYLT-GFCCVEGCSA-N 1 2 343.265 3.191 20 30 EGEDLO CCN(CCn1cc[nH+]c1)c1nc2ccccc2c(Cl)c1C#N ZINC001157467670 1380916588 /nfs/dbraw/zinc/91/65/88/1380916588.db2.gz ZQXRSFHXPYPKGD-UHFFFAOYSA-N 1 2 325.803 3.483 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cn(C(C)C)nn1 ZINC001158018710 1381104151 /nfs/dbraw/zinc/10/41/51/1381104151.db2.gz HSQFGHNEMDQLHZ-GOSISDBHSA-N 1 2 347.507 3.028 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cn(C(C)C)nn1 ZINC001158018710 1381104153 /nfs/dbraw/zinc/10/41/53/1381104153.db2.gz HSQFGHNEMDQLHZ-GOSISDBHSA-N 1 2 347.507 3.028 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(C)cn1 ZINC001158369190 1381219872 /nfs/dbraw/zinc/21/98/72/1381219872.db2.gz DHQMNIPKDWNQBN-QZTJIDSGSA-N 1 2 344.503 3.200 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(C)cn1 ZINC001158369190 1381219874 /nfs/dbraw/zinc/21/98/74/1381219874.db2.gz DHQMNIPKDWNQBN-QZTJIDSGSA-N 1 2 344.503 3.200 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(C)cn1 ZINC001158377824 1381225696 /nfs/dbraw/zinc/22/56/96/1381225696.db2.gz QMJQKBNFLHIETF-QZTJIDSGSA-N 1 2 344.503 3.200 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(C)cn1 ZINC001158377824 1381225699 /nfs/dbraw/zinc/22/56/99/1381225699.db2.gz QMJQKBNFLHIETF-QZTJIDSGSA-N 1 2 344.503 3.200 20 30 EGEDLO Cc1[nH+]c(N2CCC[C@@H](C(=O)OCc3ccccc3)C2)ccc1CC#N ZINC001158417854 1381238861 /nfs/dbraw/zinc/23/88/61/1381238861.db2.gz JBNIZWRHLXZNCX-LJQANCHMSA-N 1 2 349.434 3.416 20 30 EGEDLO C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)CC=C(Cl)Cl ZINC001158949268 1381480055 /nfs/dbraw/zinc/48/00/55/1381480055.db2.gz IPPQBDLGGPKOHI-ZIAGYGMSSA-N 1 2 349.302 3.209 20 30 EGEDLO C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC=C(Cl)Cl ZINC001158949268 1381480058 /nfs/dbraw/zinc/48/00/58/1381480058.db2.gz IPPQBDLGGPKOHI-ZIAGYGMSSA-N 1 2 349.302 3.209 20 30 EGEDLO COC(=O)[C@H]1CCN(c2ccc(CC#N)c(C)[nH+]2)[C@H]1c1ccccc1 ZINC001158954795 1381484231 /nfs/dbraw/zinc/48/42/31/1381484231.db2.gz VCYZAJYUOPKYFN-HKUYNNGSSA-N 1 2 335.407 3.197 20 30 EGEDLO [NH2+]=C(Nc1ccc2[nH]cc([N+](=O)[O-])c2n1)c1ccc2cc(O)ccc2c1 ZINC001160026966 1381972258 /nfs/dbraw/zinc/97/22/58/1381972258.db2.gz UXRDFNXCICUJTE-UHFFFAOYSA-N 1 2 347.334 3.367 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@H+](Cc2cc(C)on2)CC1 ZINC001160242352 1382046737 /nfs/dbraw/zinc/04/67/37/1382046737.db2.gz NXANNPHPKRBLOE-UHFFFAOYSA-N 1 2 331.460 3.224 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@@H+](Cc2cc(C)on2)CC1 ZINC001160242352 1382046740 /nfs/dbraw/zinc/04/67/40/1382046740.db2.gz NXANNPHPKRBLOE-UHFFFAOYSA-N 1 2 331.460 3.224 20 30 EGEDLO C=C(C)CCC(=O)NCCC1=CC[N@H+](Cc2ccn(C(C)C)n2)CC1 ZINC001160264693 1382054907 /nfs/dbraw/zinc/05/49/07/1382054907.db2.gz XXSIQCFANBFDFW-UHFFFAOYSA-N 1 2 344.503 3.459 20 30 EGEDLO C=C(C)CCC(=O)NCCC1=CC[N@@H+](Cc2ccn(C(C)C)n2)CC1 ZINC001160264693 1382054911 /nfs/dbraw/zinc/05/49/11/1382054911.db2.gz XXSIQCFANBFDFW-UHFFFAOYSA-N 1 2 344.503 3.459 20 30 EGEDLO C#CCCN1CCC[C@H](Nc2cc(C3CCCCC3)[nH+]c(C)n2)C1=O ZINC001160900178 1382228439 /nfs/dbraw/zinc/22/84/39/1382228439.db2.gz WWSPJRJNCDMNOF-KRWDZBQOSA-N 1 2 340.471 3.259 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2ncc(C)o2)CC1 ZINC001160940805 1382243001 /nfs/dbraw/zinc/24/30/01/1382243001.db2.gz GKOYRYHOGDIFLM-ZBFHGGJFSA-N 1 2 331.460 3.080 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2ncc(C)o2)CC1 ZINC001160940805 1382243004 /nfs/dbraw/zinc/24/30/04/1382243004.db2.gz GKOYRYHOGDIFLM-ZBFHGGJFSA-N 1 2 331.460 3.080 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCC1=CC[N@H+](Cc2nc(C)c(C)o2)CC1 ZINC001160941801 1382244906 /nfs/dbraw/zinc/24/49/06/1382244906.db2.gz QAAIPLJELMNRJJ-LSDHHAIUSA-N 1 2 345.487 3.388 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCC1=CC[N@@H+](Cc2nc(C)c(C)o2)CC1 ZINC001160941801 1382244911 /nfs/dbraw/zinc/24/49/11/1382244911.db2.gz QAAIPLJELMNRJJ-LSDHHAIUSA-N 1 2 345.487 3.388 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@H+](Cc2ncc(C)o2)CC1 ZINC001160962096 1382251630 /nfs/dbraw/zinc/25/16/30/1382251630.db2.gz ZAZLDHULASAGIQ-OAHLLOKOSA-N 1 2 331.460 3.224 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@@H+](Cc2ncc(C)o2)CC1 ZINC001160962096 1382251637 /nfs/dbraw/zinc/25/16/37/1382251637.db2.gz ZAZLDHULASAGIQ-OAHLLOKOSA-N 1 2 331.460 3.224 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@@H+]([C@H](C)c2nnc(C)o2)CC1 ZINC001160967379 1382254192 /nfs/dbraw/zinc/25/41/92/1382254192.db2.gz HUYXDUHWTNLFOH-LSDHHAIUSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@H+]([C@H](C)c2nnc(C)o2)CC1 ZINC001160967379 1382254194 /nfs/dbraw/zinc/25/41/94/1382254194.db2.gz HUYXDUHWTNLFOH-LSDHHAIUSA-N 1 2 346.475 3.180 20 30 EGEDLO C[C@@H](NC(=O)Cc1ccccc1CC#N)c1ccc(-n2cc[nH+]c2)cc1 ZINC001161013462 1382272088 /nfs/dbraw/zinc/27/20/88/1382272088.db2.gz PBHVITOMETXQOD-MRXNPFEDSA-N 1 2 344.418 3.358 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001161121700 1382307983 /nfs/dbraw/zinc/30/79/83/1382307983.db2.gz QLRDWZIERSVNGC-LIRRHRJNSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@H+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001161121700 1382307986 /nfs/dbraw/zinc/30/79/86/1382307986.db2.gz QLRDWZIERSVNGC-LIRRHRJNSA-N 1 2 346.475 3.180 20 30 EGEDLO C=CCC1(C(=O)NCCC2=CC[N@H+](Cc3coc(C)n3)CC2)CCC1 ZINC001161125997 1382310215 /nfs/dbraw/zinc/31/02/15/1382310215.db2.gz LATWMRZPFVKXFR-UHFFFAOYSA-N 1 2 343.471 3.368 20 30 EGEDLO C=CCC1(C(=O)NCCC2=CC[N@@H+](Cc3coc(C)n3)CC2)CCC1 ZINC001161125997 1382310221 /nfs/dbraw/zinc/31/02/21/1382310221.db2.gz LATWMRZPFVKXFR-UHFFFAOYSA-N 1 2 343.471 3.368 20 30 EGEDLO N#Cc1c(Cl)c2ccccc2nc1NC1CN(c2cccc[nH+]2)C1 ZINC001161322159 1382371034 /nfs/dbraw/zinc/37/10/34/1382371034.db2.gz AQRTXBASIHKZRG-UHFFFAOYSA-N 1 2 335.798 3.456 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)[C@@H](C)C(C)C)CC1 ZINC001161368368 1382386151 /nfs/dbraw/zinc/38/61/51/1382386151.db2.gz DFAMNSSDTXNARM-AWEZNQCLSA-N 1 2 343.309 3.326 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C)C(C)C)CC1 ZINC001161368368 1382386153 /nfs/dbraw/zinc/38/61/53/1382386153.db2.gz DFAMNSSDTXNARM-AWEZNQCLSA-N 1 2 343.309 3.326 20 30 EGEDLO CC(C)n1c[nH+]cc1CNC(F)(F)c1ccc(C#N)c(Cl)n1 ZINC001161562976 1382440147 /nfs/dbraw/zinc/44/01/47/1382440147.db2.gz KQRXDXCWDVDBQP-UHFFFAOYSA-N 1 2 325.750 3.223 20 30 EGEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCCOC(C)C)[nH+]1 ZINC001161789255 1382506308 /nfs/dbraw/zinc/50/63/08/1382506308.db2.gz MNMCZPWRJGPKDJ-OJHVLRHSSA-N 1 2 325.478 3.108 20 30 EGEDLO C=CCCOCC(=O)NCCC1=CC[N@H+](C/C(Cl)=C/Cl)CC1 ZINC001161978482 1382585501 /nfs/dbraw/zinc/58/55/01/1382585501.db2.gz VISSMJPLGNSKTH-PTNGSMBKSA-N 1 2 347.286 3.037 20 30 EGEDLO C=CCCOCC(=O)NCCC1=CC[N@@H+](C/C(Cl)=C/Cl)CC1 ZINC001161978482 1382585504 /nfs/dbraw/zinc/58/55/04/1382585504.db2.gz VISSMJPLGNSKTH-PTNGSMBKSA-N 1 2 347.286 3.037 20 30 EGEDLO C#CCCCNc1c2[nH+]c(C)cn2ccc1I ZINC001162445461 1382760579 /nfs/dbraw/zinc/76/05/79/1382760579.db2.gz HRZCRLOSVBRHSG-UHFFFAOYSA-N 1 2 339.180 3.073 20 30 EGEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCCn2cccc2)[nH+]1 ZINC001164447079 1383187659 /nfs/dbraw/zinc/18/76/59/1383187659.db2.gz OFPJJZJUSSDNJZ-FOYGFLCZSA-N 1 2 332.473 3.185 20 30 EGEDLO C=CCCCC(=O)NCCC1(C[NH2+]Cc2noc(C(C)(C)C)n2)CC1 ZINC001166909899 1383498227 /nfs/dbraw/zinc/49/82/27/1383498227.db2.gz DSPSFHDPXBHRSK-UHFFFAOYSA-N 1 2 348.491 3.100 20 30 EGEDLO C=CC[C@@](C)([NH2+][C@@H]1CCO[C@@H](c2ccc(OC)cc2)C1)C(=O)OC ZINC001168631700 1383952911 /nfs/dbraw/zinc/95/29/11/1383952911.db2.gz VVLXAWCTOQBKGV-SZVBFZGTSA-N 1 2 333.428 3.013 20 30 EGEDLO N#Cc1c(F)cccc1C(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001168745725 1383989036 /nfs/dbraw/zinc/98/90/36/1383989036.db2.gz YZVDPBNSQPVPTO-KRWDZBQOSA-N 1 2 343.789 3.137 20 30 EGEDLO N#Cc1ccc(OCCNc2cccc(Cc3ccncc3)[nH+]2)cc1 ZINC001171485533 1384537224 /nfs/dbraw/zinc/53/72/24/1384537224.db2.gz SLSFBDYWTLXWLX-UHFFFAOYSA-N 1 2 330.391 3.430 20 30 EGEDLO O=C1C=C2C[N@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC[C@H]2S1 ZINC001172902778 1384874598 /nfs/dbraw/zinc/87/45/98/1384874598.db2.gz CNOROZTXMLSWJT-NVXWUHKLSA-N 1 2 344.436 3.116 20 30 EGEDLO O=C1C=C2C[N@@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC[C@H]2S1 ZINC001172902778 1384874602 /nfs/dbraw/zinc/87/46/02/1384874602.db2.gz CNOROZTXMLSWJT-NVXWUHKLSA-N 1 2 344.436 3.116 20 30 EGEDLO CCOC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]C1CCC(CC#N)CC1 ZINC001173328706 1384960244 /nfs/dbraw/zinc/96/02/44/1384960244.db2.gz KNYQAEDKZDFQPA-UYJHFMRCSA-N 1 2 332.419 3.362 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cc1c[nH]c2ccc(F)cc12 ZINC001317487161 1385185539 /nfs/dbraw/zinc/18/55/39/1385185539.db2.gz PBDMUXKKGWMJQB-UHFFFAOYSA-N 1 2 337.826 3.040 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cc1c[nH]c2ccc(F)cc12 ZINC001317487161 1385185542 /nfs/dbraw/zinc/18/55/42/1385185542.db2.gz PBDMUXKKGWMJQB-UHFFFAOYSA-N 1 2 337.826 3.040 20 30 EGEDLO C[N@@H+]1CCc2c(C#N)c(Nc3ccccc3[S@](C)=O)sc2C1 ZINC001175309221 1385247853 /nfs/dbraw/zinc/24/78/53/1385247853.db2.gz YNHBNBVVQWXVAB-QFIPXVFZSA-N 1 2 331.466 3.089 20 30 EGEDLO C[N@H+]1CCc2c(C#N)c(Nc3ccccc3[S@](C)=O)sc2C1 ZINC001175309221 1385247856 /nfs/dbraw/zinc/24/78/56/1385247856.db2.gz YNHBNBVVQWXVAB-QFIPXVFZSA-N 1 2 331.466 3.089 20 30 EGEDLO CCC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1c(Cl)cccc1Cl ZINC001317538553 1385272278 /nfs/dbraw/zinc/27/22/78/1385272278.db2.gz MMAVCQLNISHRQM-LBPRGKRZSA-N 1 2 342.270 3.481 20 30 EGEDLO CCC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1c(Cl)cccc1Cl ZINC001317538553 1385272279 /nfs/dbraw/zinc/27/22/79/1385272279.db2.gz MMAVCQLNISHRQM-LBPRGKRZSA-N 1 2 342.270 3.481 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1sc(CCC)nc1C)C1CC1 ZINC001317561555 1385341687 /nfs/dbraw/zinc/34/16/87/1385341687.db2.gz MPLOMHVUFWFRKD-UHFFFAOYSA-N 1 2 341.908 3.351 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1sc(CCC)nc1C)C1CC1 ZINC001317561555 1385341691 /nfs/dbraw/zinc/34/16/91/1385341691.db2.gz MPLOMHVUFWFRKD-UHFFFAOYSA-N 1 2 341.908 3.351 20 30 EGEDLO S=C(NCc1ccccc1)N[NH+]=Cc1ccccc1N1CCCC1 ZINC001317704372 1385408753 /nfs/dbraw/zinc/40/87/53/1385408753.db2.gz UQAYKXDROQRGRE-UHFFFAOYSA-N 1 2 338.480 3.285 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cnc3[nH]ccc3c2)C1 ZINC001317761005 1385450575 /nfs/dbraw/zinc/45/05/75/1385450575.db2.gz CIHGRBMBPCRLMD-INIZCTEOSA-N 1 2 346.862 3.194 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cnc3[nH]ccc3c2)C1 ZINC001317761005 1385450576 /nfs/dbraw/zinc/45/05/76/1385450576.db2.gz CIHGRBMBPCRLMD-INIZCTEOSA-N 1 2 346.862 3.194 20 30 EGEDLO C[C@H](c1ccccc1)N(C(=O)CCn1cc[nH+]c1)C1=CC(=O)CCC1 ZINC001176878184 1385729707 /nfs/dbraw/zinc/72/97/07/1385729707.db2.gz FRTMKWXEVDUVGN-MRXNPFEDSA-N 1 2 337.423 3.500 20 30 EGEDLO C=CCn1c(C)cc(C(=O)COC(=O)[C@@H]2CCCC[N@H+]2CCC)c1C ZINC001319040923 1385942558 /nfs/dbraw/zinc/94/25/58/1385942558.db2.gz GYRZAVHJEDBAEY-SFHVURJKSA-N 1 2 346.471 3.281 20 30 EGEDLO C=CCn1c(C)cc(C(=O)COC(=O)[C@@H]2CCCC[N@@H+]2CCC)c1C ZINC001319040923 1385942563 /nfs/dbraw/zinc/94/25/63/1385942563.db2.gz GYRZAVHJEDBAEY-SFHVURJKSA-N 1 2 346.471 3.281 20 30 EGEDLO O=C(NCCCCCC[NH2+]CCC(F)(F)F)C(F)C(F)(F)F ZINC001178535856 1386243087 /nfs/dbraw/zinc/24/30/87/1386243087.db2.gz MROBRTJTJSREGS-SECBINFHSA-N 1 2 340.283 3.105 20 30 EGEDLO O=C(NCCCCCC[NH2+]CCC(F)(F)F)[C@@H](F)C(F)(F)F ZINC001178535856 1386243093 /nfs/dbraw/zinc/24/30/93/1386243093.db2.gz MROBRTJTJSREGS-SECBINFHSA-N 1 2 340.283 3.105 20 30 EGEDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc(C#N)c(C)n1 ZINC001320828417 1386730403 /nfs/dbraw/zinc/73/04/03/1386730403.db2.gz WQDKEFCCHVSLSH-UHFFFAOYSA-N 1 2 332.363 3.113 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccccc1)CN1C(=O)CN(C2CCCC2)C1=O ZINC001321075339 1386802093 /nfs/dbraw/zinc/80/20/93/1386802093.db2.gz VCRYHPJEINUQPV-UHFFFAOYSA-N 1 2 341.455 3.229 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccccc1)CN1C(=O)CN(C2CCCC2)C1=O ZINC001321075339 1386802099 /nfs/dbraw/zinc/80/20/99/1386802099.db2.gz VCRYHPJEINUQPV-UHFFFAOYSA-N 1 2 341.455 3.229 20 30 EGEDLO C[C@@H](c1cccc(NC(=O)CC#Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC001322558463 1387205272 /nfs/dbraw/zinc/20/52/72/1387205272.db2.gz ZHJVRDUNSJVETG-SFHVURJKSA-N 1 2 348.446 3.460 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1csc(CC(C)C)n1 ZINC001329628497 1389193464 /nfs/dbraw/zinc/19/34/64/1389193464.db2.gz RXNFKTVKTBLVTO-GFCCVEGCSA-N 1 2 329.897 3.144 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1csc(CC(C)C)n1 ZINC001329628497 1389193469 /nfs/dbraw/zinc/19/34/69/1389193469.db2.gz RXNFKTVKTBLVTO-GFCCVEGCSA-N 1 2 329.897 3.144 20 30 EGEDLO C=C1CCN(c2nnc([C@H](C)[N@H+](C)Cc3ccccc3)n2C)CC1 ZINC001338305326 1389627479 /nfs/dbraw/zinc/62/74/79/1389627479.db2.gz VQTCWPQDMVPBAV-INIZCTEOSA-N 1 2 325.460 3.165 20 30 EGEDLO C=C1CCN(c2nnc([C@H](C)[N@@H+](C)Cc3ccccc3)n2C)CC1 ZINC001338305326 1389627483 /nfs/dbraw/zinc/62/74/83/1389627483.db2.gz VQTCWPQDMVPBAV-INIZCTEOSA-N 1 2 325.460 3.165 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCS[C@H](C(C)C)C1 ZINC001340264688 1390260673 /nfs/dbraw/zinc/26/06/73/1390260673.db2.gz SWYXVJDPNDLNCH-CVEARBPZSA-N 1 2 349.548 3.199 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCS[C@H](C(C)C)C1 ZINC001340264688 1390260675 /nfs/dbraw/zinc/26/06/75/1390260675.db2.gz SWYXVJDPNDLNCH-CVEARBPZSA-N 1 2 349.548 3.199 20 30 EGEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@@H]1CCC ZINC001340329868 1390272066 /nfs/dbraw/zinc/27/20/66/1390272066.db2.gz LQKQWCUUGMEECC-IRXDYDNUSA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@@H]1CCC ZINC001340329868 1390272068 /nfs/dbraw/zinc/27/20/68/1390272068.db2.gz LQKQWCUUGMEECC-IRXDYDNUSA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CC2(CC2)c2ccccc21 ZINC001340627846 1390331652 /nfs/dbraw/zinc/33/16/52/1390331652.db2.gz QQRFNGZIMWVMOB-QGZVFWFLSA-N 1 2 335.455 3.414 20 30 EGEDLO C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC2(CC2)c2ccccc21 ZINC001340627846 1390331655 /nfs/dbraw/zinc/33/16/55/1390331655.db2.gz QQRFNGZIMWVMOB-QGZVFWFLSA-N 1 2 335.455 3.414 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@H](c2ccco2)C1 ZINC001342071532 1390567592 /nfs/dbraw/zinc/56/75/92/1390567592.db2.gz LSASYYZFMNGXRW-JKSUJKDBSA-N 1 2 341.459 3.208 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H](c2ccco2)C1 ZINC001342071532 1390567594 /nfs/dbraw/zinc/56/75/94/1390567594.db2.gz LSASYYZFMNGXRW-JKSUJKDBSA-N 1 2 341.459 3.208 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCCC2(CC2)C1 ZINC001342225276 1390587537 /nfs/dbraw/zinc/58/75/37/1390587537.db2.gz OFGCMGXIAHNACB-MRXNPFEDSA-N 1 2 329.492 3.391 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCCC2(CC2)C1 ZINC001342225276 1390587539 /nfs/dbraw/zinc/58/75/39/1390587539.db2.gz OFGCMGXIAHNACB-MRXNPFEDSA-N 1 2 329.492 3.391 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)CCC(F)(F)F ZINC001342676761 1390640076 /nfs/dbraw/zinc/64/00/76/1390640076.db2.gz YPLZUFAROASSRT-LBPRGKRZSA-N 1 2 331.386 3.010 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)CCC(F)(F)F ZINC001342676761 1390640077 /nfs/dbraw/zinc/64/00/77/1390640077.db2.gz YPLZUFAROASSRT-LBPRGKRZSA-N 1 2 331.386 3.010 20 30 EGEDLO CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)[C@@H](C)CC#N ZINC001342684252 1390641025 /nfs/dbraw/zinc/64/10/25/1390641025.db2.gz YKJGHEFYMLICQD-HOTGVXAUSA-N 1 2 340.475 3.229 20 30 EGEDLO CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)[C@@H](C)CC#N ZINC001342684252 1390641026 /nfs/dbraw/zinc/64/10/26/1390641026.db2.gz YKJGHEFYMLICQD-HOTGVXAUSA-N 1 2 340.475 3.229 20 30 EGEDLO C=CCC[C@@H]1CCCN1c1nnc(Cc2[nH+]ccn2C)n1CC(C)C ZINC001343041810 1390686986 /nfs/dbraw/zinc/68/69/86/1390686986.db2.gz IICZZQDPMIIMNB-MRXNPFEDSA-N 1 2 342.491 3.193 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)[C@H](C)CCSC ZINC001343547594 1390721836 /nfs/dbraw/zinc/72/18/36/1390721836.db2.gz YGSSVFQVGYYNOV-CABCVRRESA-N 1 2 337.537 3.199 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)[C@H](C)CCSC ZINC001343547594 1390721839 /nfs/dbraw/zinc/72/18/39/1390721839.db2.gz YGSSVFQVGYYNOV-CABCVRRESA-N 1 2 337.537 3.199 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N(CC)CCSC ZINC001343767700 1390735938 /nfs/dbraw/zinc/73/59/38/1390735938.db2.gz GIHDQUGKXZISCV-OAHLLOKOSA-N 1 2 337.537 3.200 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N(CC)CCSC ZINC001343767700 1390735939 /nfs/dbraw/zinc/73/59/39/1390735939.db2.gz GIHDQUGKXZISCV-OAHLLOKOSA-N 1 2 337.537 3.200 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)CCCSC ZINC001343927783 1390744625 /nfs/dbraw/zinc/74/46/25/1390744625.db2.gz KVELHQJQRIIGTR-OAHLLOKOSA-N 1 2 337.537 3.200 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)CCCSC ZINC001343927783 1390744626 /nfs/dbraw/zinc/74/46/26/1390744626.db2.gz KVELHQJQRIIGTR-OAHLLOKOSA-N 1 2 337.537 3.200 20 30 EGEDLO C=C(C)CN(C)c1nnc([C@H]2CCCC[N@@H+]2C)n1C[C@@H]1CCCCO1 ZINC001345581096 1390866983 /nfs/dbraw/zinc/86/69/83/1390866983.db2.gz GDDKIRHSBQCENP-DLBZAZTESA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)CN(C)c1nnc([C@H]2CCCC[N@H+]2C)n1C[C@@H]1CCCCO1 ZINC001345581096 1390866985 /nfs/dbraw/zinc/86/69/85/1390866985.db2.gz GDDKIRHSBQCENP-DLBZAZTESA-N 1 2 347.507 3.016 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)CCc1[nH+]ccn1C ZINC001346471369 1390943222 /nfs/dbraw/zinc/94/32/22/1390943222.db2.gz OGCISTLZUSEMJP-CYBMUJFWSA-N 1 2 328.441 3.243 20 30 EGEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCc2cc(CC)ccc21 ZINC001352093434 1391758272 /nfs/dbraw/zinc/75/82/72/1391758272.db2.gz KWVZZGQXAUKKOU-UHFFFAOYSA-N 1 2 348.454 3.045 20 30 EGEDLO N#Cc1csc(C(=O)N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)c1 ZINC001353765736 1392083767 /nfs/dbraw/zinc/08/37/67/1392083767.db2.gz HLBJWZHDWAENQJ-AWEZNQCLSA-N 1 2 331.828 3.060 20 30 EGEDLO CN(C[C@@H]1CC[NH+]1Cc1ccc(C#N)cc1F)C(=O)CCCC1CC1 ZINC001479238535 1392199159 /nfs/dbraw/zinc/19/91/59/1392199159.db2.gz YUFRZXHECUWCHG-SFHVURJKSA-N 1 2 343.446 3.310 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCCc1ccccn1 ZINC001480332686 1392691897 /nfs/dbraw/zinc/69/18/97/1392691897.db2.gz NPFUPXFRIWLLJT-QGZVFWFLSA-N 1 2 335.879 3.128 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)CCCc1ccccn1 ZINC001480332686 1392691898 /nfs/dbraw/zinc/69/18/98/1392691898.db2.gz NPFUPXFRIWLLJT-QGZVFWFLSA-N 1 2 335.879 3.128 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccc(OC)cc1Cl)C1CC1 ZINC001481190735 1393146380 /nfs/dbraw/zinc/14/63/80/1393146380.db2.gz PWDVMXWKBOZYDO-UHFFFAOYSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccc(OC)cc1Cl)C1CC1 ZINC001481190735 1393146381 /nfs/dbraw/zinc/14/63/81/1393146381.db2.gz PWDVMXWKBOZYDO-UHFFFAOYSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)C1CCOCC1 ZINC001491216577 1394476334 /nfs/dbraw/zinc/47/63/34/1394476334.db2.gz IJYSODXVADUUFY-MRXNPFEDSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)C1CCOCC1 ZINC001491216577 1394476337 /nfs/dbraw/zinc/47/63/37/1394476337.db2.gz IJYSODXVADUUFY-MRXNPFEDSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)CCCC1CC1 ZINC001493129315 1396336747 /nfs/dbraw/zinc/33/67/47/1396336747.db2.gz LFKNIHIHKVFYIZ-AWEZNQCLSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)CCCC1CC1 ZINC001493129315 1396336748 /nfs/dbraw/zinc/33/67/48/1396336748.db2.gz LFKNIHIHKVFYIZ-AWEZNQCLSA-N 1 2 329.282 3.056 20 30 EGEDLO Cc1scc(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)c1C ZINC001492262558 1396317388 /nfs/dbraw/zinc/31/73/88/1396317388.db2.gz PTXBWVMMNDOIDC-UHFFFAOYSA-N 1 2 327.453 3.098 20 30 EGEDLO Cc1scc(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)c1C ZINC001492262558 1396317389 /nfs/dbraw/zinc/31/73/89/1396317389.db2.gz PTXBWVMMNDOIDC-UHFFFAOYSA-N 1 2 327.453 3.098 20 30 EGEDLO C[N@H+](CCNC(=O)C(C)(C)C1CCC1)Cc1ccc(C#N)cc1F ZINC001492360451 1396320730 /nfs/dbraw/zinc/32/07/30/1396320730.db2.gz ZRGRLDCTKFNRKV-UHFFFAOYSA-N 1 2 331.435 3.072 20 30 EGEDLO C[N@@H+](CCNC(=O)C(C)(C)C1CCC1)Cc1ccc(C#N)cc1F ZINC001492360451 1396320731 /nfs/dbraw/zinc/32/07/31/1396320731.db2.gz ZRGRLDCTKFNRKV-UHFFFAOYSA-N 1 2 331.435 3.072 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)CCC1(C)CC1 ZINC001691066783 1404994247 /nfs/dbraw/zinc/99/42/47/1404994247.db2.gz VEZVFPXFLMWNTF-AWEZNQCLSA-N 1 2 331.485 3.233 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)CCC1(C)CC1 ZINC001691066783 1404994252 /nfs/dbraw/zinc/99/42/52/1404994252.db2.gz VEZVFPXFLMWNTF-AWEZNQCLSA-N 1 2 331.485 3.233 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+](CCNC(=O)c2ccsc2)C2CC2)c1 ZINC001691201359 1405141655 /nfs/dbraw/zinc/14/16/55/1405141655.db2.gz GPTOWOMLYVXWCP-UHFFFAOYSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+](CCNC(=O)c2ccsc2)C2CC2)c1 ZINC001691201359 1405141657 /nfs/dbraw/zinc/14/16/57/1405141657.db2.gz GPTOWOMLYVXWCP-UHFFFAOYSA-N 1 2 343.427 3.153 20 30 EGEDLO C[C@H](C(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1)C(C)(C)C ZINC001691215649 1405156100 /nfs/dbraw/zinc/15/61/00/1405156100.db2.gz XVZLZPGYNXJMEK-OAHLLOKOSA-N 1 2 327.472 3.321 20 30 EGEDLO C[C@H](C(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1)C(C)(C)C ZINC001691215649 1405156105 /nfs/dbraw/zinc/15/61/05/1405156105.db2.gz XVZLZPGYNXJMEK-OAHLLOKOSA-N 1 2 327.472 3.321 20 30 EGEDLO C[C@@H](C#N)C(=O)NCC1C[NH+]([C@@H](C)c2cc(Cl)ccc2Cl)C1 ZINC001692290744 1405922343 /nfs/dbraw/zinc/92/23/43/1405922343.db2.gz HCQASCUURDQTQT-QWRGUYRKSA-N 1 2 340.254 3.262 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2sccc2Cl)C1 ZINC001732151862 1428395211 /nfs/dbraw/zinc/39/52/11/1428395211.db2.gz AAECBQALEMJKQY-STQMWFEESA-N 1 2 342.892 3.073 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2sccc2Cl)C1 ZINC001732151862 1428395216 /nfs/dbraw/zinc/39/52/16/1428395216.db2.gz AAECBQALEMJKQY-STQMWFEESA-N 1 2 342.892 3.073 20 30 EGEDLO C[C@H](C#N)C(=O)NCc1ccc2c(c1)C[N@@H+](Cc1ccccc1F)C2 ZINC001700254058 1413703935 /nfs/dbraw/zinc/70/39/35/1413703935.db2.gz VGQQKFCWASVBTP-CQSZACIVSA-N 1 2 337.398 3.117 20 30 EGEDLO C[C@H](C#N)C(=O)NCc1ccc2c(c1)C[N@H+](Cc1ccccc1F)C2 ZINC001700254058 1413703942 /nfs/dbraw/zinc/70/39/42/1413703942.db2.gz VGQQKFCWASVBTP-CQSZACIVSA-N 1 2 337.398 3.117 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H]1CCc2ccccc2C1)C1CC1 ZINC001713562559 1418365178 /nfs/dbraw/zinc/36/51/78/1418365178.db2.gz DMDJFAIHLYACTL-KRWDZBQOSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H]1CCc2ccccc2C1)C1CC1 ZINC001713562559 1418365181 /nfs/dbraw/zinc/36/51/81/1418365181.db2.gz DMDJFAIHLYACTL-KRWDZBQOSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc2c(cccc2OC)[nH]1)C1CC1 ZINC001714676050 1419468449 /nfs/dbraw/zinc/46/84/49/1419468449.db2.gz NMTLGSCNVUFRAD-UHFFFAOYSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc2c(cccc2OC)[nH]1)C1CC1 ZINC001714676050 1419468450 /nfs/dbraw/zinc/46/84/50/1419468450.db2.gz NMTLGSCNVUFRAD-UHFFFAOYSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C2(CCC)CC2)C1 ZINC001715023413 1419754678 /nfs/dbraw/zinc/75/46/78/1419754678.db2.gz NDZZQAJPBCODNW-CYBMUJFWSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(CCC)CC2)C1 ZINC001715023413 1419754681 /nfs/dbraw/zinc/75/46/81/1419754681.db2.gz NDZZQAJPBCODNW-CYBMUJFWSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCC1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001715482550 1420161823 /nfs/dbraw/zinc/16/18/23/1420161823.db2.gz UIOWUYYCHBDLMJ-GFCCVEGCSA-N 1 2 344.780 3.200 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCC1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001715482550 1420161825 /nfs/dbraw/zinc/16/18/25/1420161825.db2.gz UIOWUYYCHBDLMJ-GFCCVEGCSA-N 1 2 344.780 3.200 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCC1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001715482550 1420161826 /nfs/dbraw/zinc/16/18/26/1420161826.db2.gz UIOWUYYCHBDLMJ-GFCCVEGCSA-N 1 2 344.780 3.200 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCC1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001715482550 1420161828 /nfs/dbraw/zinc/16/18/28/1420161828.db2.gz UIOWUYYCHBDLMJ-GFCCVEGCSA-N 1 2 344.780 3.200 20 30 EGEDLO C[C@@H](C#N)C(=O)N(C)CC[N@H+](C)Cc1cccc(Cl)c1Cl ZINC001715515265 1420200626 /nfs/dbraw/zinc/20/06/26/1420200626.db2.gz OOEZGTIEONMPJH-NSHDSACASA-N 1 2 328.243 3.043 20 30 EGEDLO C[C@@H](C#N)C(=O)N(C)CC[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC001715515265 1420200628 /nfs/dbraw/zinc/20/06/28/1420200628.db2.gz OOEZGTIEONMPJH-NSHDSACASA-N 1 2 328.243 3.043 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@H](C)c1ccccc1F ZINC001715532678 1420224027 /nfs/dbraw/zinc/22/40/27/1420224027.db2.gz NOPUUEFVSXJJHA-ZDUSSCGKSA-N 1 2 326.843 3.462 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@H](C)c1ccccc1F ZINC001715532678 1420224026 /nfs/dbraw/zinc/22/40/26/1420224026.db2.gz NOPUUEFVSXJJHA-ZDUSSCGKSA-N 1 2 326.843 3.462 20 30 EGEDLO CC(C)C(C)(C)C(=O)N[C@@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001725248135 1425867624 /nfs/dbraw/zinc/86/76/24/1425867624.db2.gz KQUMBRSRYDQYQW-AWEZNQCLSA-N 1 2 345.462 3.316 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)CCC2CCC2)[C@@H]1C ZINC001725628139 1426294829 /nfs/dbraw/zinc/29/48/29/1426294829.db2.gz OBUUONZEBVCKKE-DZGCQCFKSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)CCC2CCC2)[C@@H]1C ZINC001725628139 1426294835 /nfs/dbraw/zinc/29/48/35/1426294835.db2.gz OBUUONZEBVCKKE-DZGCQCFKSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C1(Cc2ccc(F)cc2)CC1 ZINC001731812216 1427995278 /nfs/dbraw/zinc/99/52/78/1427995278.db2.gz UXDIYUGLAFUJCB-UHFFFAOYSA-N 1 2 338.854 3.339 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C1(Cc2ccc(F)cc2)CC1 ZINC001731812216 1427995282 /nfs/dbraw/zinc/99/52/82/1427995282.db2.gz UXDIYUGLAFUJCB-UHFFFAOYSA-N 1 2 338.854 3.339 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)C1CCC1 ZINC001731827176 1428033057 /nfs/dbraw/zinc/03/30/57/1428033057.db2.gz LBYKJTYJGFLXAF-AWEZNQCLSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)C1CCC1 ZINC001731827176 1428033053 /nfs/dbraw/zinc/03/30/53/1428033053.db2.gz LBYKJTYJGFLXAF-AWEZNQCLSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)CC2(C)CC2)CC1 ZINC001752303046 1440168098 /nfs/dbraw/zinc/16/80/98/1440168098.db2.gz MHITWYBXIWPALR-UHFFFAOYSA-N 1 2 329.282 3.008 20 30 EGEDLO C[N@H+](CCNC(=O)[C@@H]1CCCc2ccccc21)Cc1ccccc1C#N ZINC001753056644 1440281878 /nfs/dbraw/zinc/28/18/78/1440281878.db2.gz WIBPMOCDWADBJV-OAQYLSRUSA-N 1 2 347.462 3.226 20 30 EGEDLO C[N@@H+](CCNC(=O)[C@@H]1CCCc2ccccc21)Cc1ccccc1C#N ZINC001753056644 1440281879 /nfs/dbraw/zinc/28/18/79/1440281879.db2.gz WIBPMOCDWADBJV-OAQYLSRUSA-N 1 2 347.462 3.226 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCC[N@H+](C)[C@@H](C)c1nc(-c2ccco2)no1 ZINC001753062878 1440284361 /nfs/dbraw/zinc/28/43/61/1440284361.db2.gz AQEITMXHYXHLNU-UGSOOPFHSA-N 1 2 346.431 3.041 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCC[N@@H+](C)[C@@H](C)c1nc(-c2ccco2)no1 ZINC001753062878 1440284362 /nfs/dbraw/zinc/28/43/62/1440284362.db2.gz AQEITMXHYXHLNU-UGSOOPFHSA-N 1 2 346.431 3.041 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2csc(C3CC3)n2)C1 ZINC001753111753 1440308722 /nfs/dbraw/zinc/30/87/22/1440308722.db2.gz OGOJCEVUNGMCOC-INIZCTEOSA-N 1 2 345.512 3.457 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H]2CCC[N@H+]2Cc2csc(C3CC3)n2)C1 ZINC001753111753 1440308723 /nfs/dbraw/zinc/30/87/23/1440308723.db2.gz OGOJCEVUNGMCOC-INIZCTEOSA-N 1 2 345.512 3.457 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)C1CC1 ZINC001753157147 1440331494 /nfs/dbraw/zinc/33/14/94/1440331494.db2.gz XISJNZKSPWUHAH-PKOBYXMFSA-N 1 2 332.875 3.297 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)C1CC1 ZINC001753157147 1440331495 /nfs/dbraw/zinc/33/14/95/1440331495.db2.gz XISJNZKSPWUHAH-PKOBYXMFSA-N 1 2 332.875 3.297 20 30 EGEDLO CC(C)(C(=O)NCC[N@H+](Cc1ccc(C#N)cc1F)C1CC1)C1CC1 ZINC001753159156 1440332646 /nfs/dbraw/zinc/33/26/46/1440332646.db2.gz GBZLDKCAOWIOIN-UHFFFAOYSA-N 1 2 343.446 3.214 20 30 EGEDLO CC(C)(C(=O)NCC[N@@H+](Cc1ccc(C#N)cc1F)C1CC1)C1CC1 ZINC001753159156 1440332647 /nfs/dbraw/zinc/33/26/47/1440332647.db2.gz GBZLDKCAOWIOIN-UHFFFAOYSA-N 1 2 343.446 3.214 20 30 EGEDLO CC(C)C#CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCc2c1cccc2Cl ZINC001753420944 1440395206 /nfs/dbraw/zinc/39/52/06/1440395206.db2.gz PWEOKBWPKZXXGI-YZVOILCLSA-N 1 2 342.870 3.272 20 30 EGEDLO CC(C)C#CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCc2c1cccc2Cl ZINC001753420944 1440395207 /nfs/dbraw/zinc/39/52/07/1440395207.db2.gz PWEOKBWPKZXXGI-YZVOILCLSA-N 1 2 342.870 3.272 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](CC)CC(F)(F)F)C1 ZINC001753448122 1440404795 /nfs/dbraw/zinc/40/47/95/1440404795.db2.gz NGNSMBIYLXAVIW-NEPJUHHUSA-N 1 2 326.790 3.250 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](CC)CC(F)(F)F)C1 ZINC001753448122 1440404796 /nfs/dbraw/zinc/40/47/96/1440404796.db2.gz NGNSMBIYLXAVIW-NEPJUHHUSA-N 1 2 326.790 3.250 20 30 EGEDLO C=CCCCC(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001753458430 1440409280 /nfs/dbraw/zinc/40/92/80/1440409280.db2.gz DSUGMZHOIQXWCT-GOSISDBHSA-N 1 2 332.492 3.243 20 30 EGEDLO C=CCCCC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001753458430 1440409281 /nfs/dbraw/zinc/40/92/81/1440409281.db2.gz DSUGMZHOIQXWCT-GOSISDBHSA-N 1 2 332.492 3.243 20 30 EGEDLO C=CCC1(C(=O)N2CCC3(C[NH+](Cc4nccs4)C3)CC2)CCC1 ZINC001753675305 1440463207 /nfs/dbraw/zinc/46/32/07/1440463207.db2.gz ZODJUZXLUDASKQ-UHFFFAOYSA-N 1 2 345.512 3.314 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H](C[NH2+]Cc1nc(C)no1)C1CCCCC1 ZINC001753746480 1440481202 /nfs/dbraw/zinc/48/12/02/1440481202.db2.gz XAJHHZRJRBNUHB-INIZCTEOSA-N 1 2 348.491 3.135 20 30 EGEDLO C[C@H]1CC[C@H](CC(=O)N(C)CC[N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001753861036 1440511596 /nfs/dbraw/zinc/51/15/96/1440511596.db2.gz RTJKXAFTKRFDMH-HOTGVXAUSA-N 1 2 345.462 3.414 20 30 EGEDLO C[C@H]1CC[C@H](CC(=O)N(C)CC[N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001753861036 1440511597 /nfs/dbraw/zinc/51/15/97/1440511597.db2.gz RTJKXAFTKRFDMH-HOTGVXAUSA-N 1 2 345.462 3.414 20 30 EGEDLO C#CCCCC(=O)N[C@@H](C)C[N@H+](C)Cc1csc(-c2ccco2)n1 ZINC001754308360 1440572065 /nfs/dbraw/zinc/57/20/65/1440572065.db2.gz RIEJFSGPJOCQRT-AWEZNQCLSA-N 1 2 345.468 3.143 20 30 EGEDLO C#CCCCC(=O)N[C@@H](C)C[N@@H+](C)Cc1csc(-c2ccco2)n1 ZINC001754308360 1440572066 /nfs/dbraw/zinc/57/20/66/1440572066.db2.gz RIEJFSGPJOCQRT-AWEZNQCLSA-N 1 2 345.468 3.143 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1c(F)ccc(F)c1Cl ZINC001754328909 1440582296 /nfs/dbraw/zinc/58/22/96/1440582296.db2.gz RFIALNCAKUCLIM-VIFPVBQESA-N 1 2 337.197 3.421 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1c(F)ccc(F)c1Cl ZINC001754328909 1440582297 /nfs/dbraw/zinc/58/22/97/1440582297.db2.gz RFIALNCAKUCLIM-VIFPVBQESA-N 1 2 337.197 3.421 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C12CC(c3ccccc3)(C1)C2 ZINC001754335261 1440586334 /nfs/dbraw/zinc/58/63/34/1440586334.db2.gz BHYJSMQREMUQAG-VNCLNFNDSA-N 1 2 332.875 3.297 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C12CC(c3ccccc3)(C1)C2 ZINC001754335261 1440586335 /nfs/dbraw/zinc/58/63/35/1440586335.db2.gz BHYJSMQREMUQAG-VNCLNFNDSA-N 1 2 332.875 3.297 20 30 EGEDLO C#CCC1(C(=O)N[C@H](C)C[N@H+](C)Cc2nc(C)cs2)CCCCC1 ZINC001754336678 1440586706 /nfs/dbraw/zinc/58/67/06/1440586706.db2.gz OJSYKFYHLBWHTJ-OAHLLOKOSA-N 1 2 347.528 3.362 20 30 EGEDLO C#CCC1(C(=O)N[C@H](C)C[N@@H+](C)Cc2nc(C)cs2)CCCCC1 ZINC001754336678 1440586707 /nfs/dbraw/zinc/58/67/07/1440586707.db2.gz OJSYKFYHLBWHTJ-OAHLLOKOSA-N 1 2 347.528 3.362 20 30 EGEDLO O=C(C[C@H]1C=CCC1)NC[C@@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001754472233 1440605676 /nfs/dbraw/zinc/60/56/76/1440605676.db2.gz MWKMBNTWQRXIII-HKUYNNGSSA-N 1 2 342.870 3.238 20 30 EGEDLO O=C(C[C@H]1C=CCC1)NC[C@@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001754472233 1440605677 /nfs/dbraw/zinc/60/56/77/1440605677.db2.gz MWKMBNTWQRXIII-HKUYNNGSSA-N 1 2 342.870 3.238 20 30 EGEDLO CC(C)CC(C)(C)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001754499727 1440613759 /nfs/dbraw/zinc/61/37/59/1440613759.db2.gz IVPQHHLHBDCGJU-AWEZNQCLSA-N 1 2 333.501 3.383 20 30 EGEDLO CC(C)CC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001754499727 1440613760 /nfs/dbraw/zinc/61/37/60/1440613760.db2.gz IVPQHHLHBDCGJU-AWEZNQCLSA-N 1 2 333.501 3.383 20 30 EGEDLO CC1CCC(C)(C(=O)NC[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)CC1 ZINC001754505188 1440615869 /nfs/dbraw/zinc/61/58/69/1440615869.db2.gz LUSUFXUCVHYWTI-JGBTYHIZSA-N 1 2 338.495 3.445 20 30 EGEDLO CC1CCC(C)(C(=O)NC[C@@H]2CC[N@H+]2CC#Cc2ccccc2)CC1 ZINC001754505188 1440615870 /nfs/dbraw/zinc/61/58/70/1440615870.db2.gz LUSUFXUCVHYWTI-JGBTYHIZSA-N 1 2 338.495 3.445 20 30 EGEDLO C[C@H](C#N)C(=O)N[C@@]1(C)CC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC001754668629 1440657455 /nfs/dbraw/zinc/65/74/55/1440657455.db2.gz PGINFKHUISJQFY-BZNIZROVSA-N 1 2 340.254 3.234 20 30 EGEDLO C[C@H](C#N)C(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC001754668629 1440657456 /nfs/dbraw/zinc/65/74/56/1440657456.db2.gz PGINFKHUISJQFY-BZNIZROVSA-N 1 2 340.254 3.234 20 30 EGEDLO C=C(C)CCC(=O)N[C@]1(C)CC[N@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC001754674642 1440659462 /nfs/dbraw/zinc/65/94/62/1440659462.db2.gz ZEPNBBKMYKTHFB-HXUWFJFHSA-N 1 2 344.503 3.435 20 30 EGEDLO C=C(C)CCC(=O)N[C@]1(C)CC[N@@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC001754674642 1440659463 /nfs/dbraw/zinc/65/94/63/1440659463.db2.gz ZEPNBBKMYKTHFB-HXUWFJFHSA-N 1 2 344.503 3.435 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@]1(C)CC[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001754678564 1440661144 /nfs/dbraw/zinc/66/11/44/1440661144.db2.gz TWRWCFZGNWWRJH-VQIMIIECSA-N 1 2 332.492 3.147 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@]1(C)CC[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001754678564 1440661145 /nfs/dbraw/zinc/66/11/45/1440661145.db2.gz TWRWCFZGNWWRJH-VQIMIIECSA-N 1 2 332.492 3.147 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCC1(C)CC[NH+](Cc2cc(C)no2)CC1 ZINC001754720356 1440673009 /nfs/dbraw/zinc/67/30/09/1440673009.db2.gz MTXPCETWXIVDPO-LJQANCHMSA-N 1 2 333.476 3.304 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(CC)[nH]2)CC1 ZINC001755030479 1440730987 /nfs/dbraw/zinc/73/09/87/1440730987.db2.gz ZEZRYNLFZHFYIS-HUUCEWRRSA-N 1 2 347.507 3.001 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2nnc(CC)[nH]2)CC1 ZINC001755030479 1440730988 /nfs/dbraw/zinc/73/09/88/1440730988.db2.gz ZEZRYNLFZHFYIS-HUUCEWRRSA-N 1 2 347.507 3.001 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](CCC)C(C)C ZINC001755075292 1440748462 /nfs/dbraw/zinc/74/84/62/1440748462.db2.gz DFXDBQCPGCLDEW-UXHICEINSA-N 1 2 326.484 3.235 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](CCC)C(C)C ZINC001755075292 1440748463 /nfs/dbraw/zinc/74/84/63/1440748463.db2.gz DFXDBQCPGCLDEW-UXHICEINSA-N 1 2 326.484 3.235 20 30 EGEDLO C=CCCC[N@H+]1Cc2ccc(CNC(=O)C(F)C(F)(F)F)cc2C1 ZINC001755102054 1440753182 /nfs/dbraw/zinc/75/31/82/1440753182.db2.gz GIKQDELQDQCLMN-OAHLLOKOSA-N 1 2 344.352 3.485 20 30 EGEDLO C=CCCC[N@@H+]1Cc2ccc(CNC(=O)C(F)C(F)(F)F)cc2C1 ZINC001755102054 1440753183 /nfs/dbraw/zinc/75/31/83/1440753183.db2.gz GIKQDELQDQCLMN-OAHLLOKOSA-N 1 2 344.352 3.485 20 30 EGEDLO C=CCCC[N@H+]1Cc2ccc(CNC(=O)[C@@H](F)C(F)(F)F)cc2C1 ZINC001755102054 1440753184 /nfs/dbraw/zinc/75/31/84/1440753184.db2.gz GIKQDELQDQCLMN-OAHLLOKOSA-N 1 2 344.352 3.485 20 30 EGEDLO C=CCCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](F)C(F)(F)F)cc2C1 ZINC001755102054 1440753185 /nfs/dbraw/zinc/75/31/85/1440753185.db2.gz GIKQDELQDQCLMN-OAHLLOKOSA-N 1 2 344.352 3.485 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)CCC2CC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001755169257 1440768349 /nfs/dbraw/zinc/76/83/49/1440768349.db2.gz LSSYSBVIVPHTSQ-IFXJQAMLSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)CCC2CC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001755169257 1440768350 /nfs/dbraw/zinc/76/83/50/1440768350.db2.gz LSSYSBVIVPHTSQ-IFXJQAMLSA-N 1 2 343.446 3.357 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H]1C[N@@H+](C)[C@@H](C)c1nnc(CC(C)C)o1 ZINC001755188651 1440774062 /nfs/dbraw/zinc/77/40/62/1440774062.db2.gz IGPPSHQCNNNYRG-HOTGVXAUSA-N 1 2 348.491 3.218 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H]1C[N@H+](C)[C@@H](C)c1nnc(CC(C)C)o1 ZINC001755188651 1440774063 /nfs/dbraw/zinc/77/40/63/1440774063.db2.gz IGPPSHQCNNNYRG-HOTGVXAUSA-N 1 2 348.491 3.218 20 30 EGEDLO C=CCC[C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)C(F)C(F)(F)F ZINC001755281133 1440800626 /nfs/dbraw/zinc/80/06/26/1440800626.db2.gz YZVGKLGTGKZDMJ-VXGBXAGGSA-N 1 2 326.378 3.316 20 30 EGEDLO C=CCC[C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001755281133 1440800627 /nfs/dbraw/zinc/80/06/27/1440800627.db2.gz YZVGKLGTGKZDMJ-VXGBXAGGSA-N 1 2 326.378 3.316 20 30 EGEDLO CCC[C@@H](C)C(=O)N[C@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001755385600 1440840371 /nfs/dbraw/zinc/84/03/71/1440840371.db2.gz ZEKALCKFIFXTMK-ZIAGYGMSSA-N 1 2 331.435 3.070 20 30 EGEDLO C[C@H](CC(=O)N[C@@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1)C1CC1 ZINC001755390795 1440842009 /nfs/dbraw/zinc/84/20/09/1440842009.db2.gz BGTBFOYTBBABEC-KGLIPLIRSA-N 1 2 343.446 3.070 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ncc(C)o2)CC1(C)C ZINC001755410362 1440845976 /nfs/dbraw/zinc/84/59/76/1440845976.db2.gz PQUNPKSCVDECOM-HUUCEWRRSA-N 1 2 333.476 3.473 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2ncc(C)o2)CC1(C)C ZINC001755410362 1440845977 /nfs/dbraw/zinc/84/59/77/1440845977.db2.gz PQUNPKSCVDECOM-HUUCEWRRSA-N 1 2 333.476 3.473 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H](C[NH2+]Cc1noc(C2CCC2)n1)C(C)(C)C ZINC001755829484 1440928311 /nfs/dbraw/zinc/92/83/11/1440928311.db2.gz CNBUZCLIYLJPEI-CQSZACIVSA-N 1 2 348.491 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H](C)OCc2ccccc2)CC1 ZINC001755893676 1440942020 /nfs/dbraw/zinc/94/20/20/1440942020.db2.gz BOTBESIVUNQPSV-MRXNPFEDSA-N 1 2 348.874 3.093 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H](C)OCc2ccccc2)CC1 ZINC001755893676 1440942021 /nfs/dbraw/zinc/94/20/21/1440942021.db2.gz BOTBESIVUNQPSV-MRXNPFEDSA-N 1 2 348.874 3.093 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H](C)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001756482263 1441022755 /nfs/dbraw/zinc/02/27/55/1441022755.db2.gz PLIVVTPMRUMVFF-GOEBONIOSA-N 1 2 345.487 3.186 20 30 EGEDLO Cc1ccc2ncc(C#N)c(N3CC[C@@H](Oc4cc[nH+]cc4)C3)c2c1 ZINC000368299820 168340440 /nfs/dbraw/zinc/34/04/40/168340440.db2.gz SFJYOMBNGGNVSG-QGZVFWFLSA-N 1 2 330.391 3.468 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCc2c(sc3ncnc(N)c23)C1 ZINC000369043620 168395976 /nfs/dbraw/zinc/39/59/76/168395976.db2.gz BIOSHDLQWSZPGM-LLVKDONJSA-N 1 2 335.436 3.264 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCc2c(sc3ncnc(N)c23)C1 ZINC000369043620 168395977 /nfs/dbraw/zinc/39/59/77/168395977.db2.gz BIOSHDLQWSZPGM-LLVKDONJSA-N 1 2 335.436 3.264 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nc4ccccc4o3)CC2)cc1 ZINC000022778392 212323652 /nfs/dbraw/zinc/32/36/52/212323652.db2.gz POFSDRHMPADYIE-UHFFFAOYSA-N 1 2 332.407 3.017 20 30 EGEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000078321461 217040735 /nfs/dbraw/zinc/04/07/35/217040735.db2.gz RGGJONGBXDLSET-UHFFFAOYSA-N 1 2 343.452 3.316 20 30 EGEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000078321461 217040740 /nfs/dbraw/zinc/04/07/40/217040740.db2.gz RGGJONGBXDLSET-UHFFFAOYSA-N 1 2 343.452 3.316 20 30 EGEDLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)cs1 ZINC000111376265 220148665 /nfs/dbraw/zinc/14/86/65/220148665.db2.gz YLFRNYMGCFWJLP-NWDGAFQWSA-N 1 2 328.441 3.255 20 30 EGEDLO C[C@@H]1CN(c2ccc(Nc3ncc(C#N)cc3Cl)c[nH+]2)C[C@@H](C)O1 ZINC000265155640 247254494 /nfs/dbraw/zinc/25/44/94/247254494.db2.gz UQXQHBCHKWTXMD-VXGBXAGGSA-N 1 2 343.818 3.359 20 30 EGEDLO Cc1cc(N)nc(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)[nH+]1 ZINC000007177501 210765691 /nfs/dbraw/zinc/76/56/91/210765691.db2.gz YARYWGCFCAZBBE-SECBINFHSA-N 1 2 347.831 3.012 20 30 EGEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000118391096 221144508 /nfs/dbraw/zinc/14/45/08/221144508.db2.gz DVOILKYFJQCVEN-CQSZACIVSA-N 1 2 325.437 3.139 20 30 EGEDLO C[C@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000268298475 141058500 /nfs/dbraw/zinc/05/85/00/141058500.db2.gz XDOVNZHMJHJJNF-WCQYABFASA-N 1 2 335.333 3.256 20 30 EGEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000347973735 141226720 /nfs/dbraw/zinc/22/67/20/141226720.db2.gz MJZTVZDNUWDRJJ-UHFFFAOYSA-N 1 2 335.382 3.425 20 30 EGEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000347973735 141226722 /nfs/dbraw/zinc/22/67/22/141226722.db2.gz MJZTVZDNUWDRJJ-UHFFFAOYSA-N 1 2 335.382 3.425 20 30 EGEDLO CCOc1ccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)cc1 ZINC000341426969 155286427 /nfs/dbraw/zinc/28/64/27/155286427.db2.gz AXCYSTGVJCZGBA-UHFFFAOYSA-N 1 2 342.468 3.044 20 30 EGEDLO CCCCOc1cccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000115597253 152022519 /nfs/dbraw/zinc/02/25/19/152022519.db2.gz ZUNMAJHIYGOZIX-LJQANCHMSA-N 1 2 337.423 3.053 20 30 EGEDLO Cc1nsc(NC[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)c1C#N ZINC000341551134 155348240 /nfs/dbraw/zinc/34/82/40/155348240.db2.gz CFGZEWCYYYJCNQ-KRWDZBQOSA-N 1 2 342.468 3.117 20 30 EGEDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(C#N)c(F)c1 ZINC000191923551 153231585 /nfs/dbraw/zinc/23/15/85/153231585.db2.gz CFUYRGOQDZRXCX-UHFFFAOYSA-N 1 2 341.386 3.167 20 30 EGEDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(C#N)c(F)c1 ZINC000191923551 153231587 /nfs/dbraw/zinc/23/15/87/153231587.db2.gz CFUYRGOQDZRXCX-UHFFFAOYSA-N 1 2 341.386 3.167 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+](Cc2cccnc2)C(C)C)c(C#N)c1C ZINC000125660982 162283652 /nfs/dbraw/zinc/28/36/52/162283652.db2.gz SUFMIEZWGURHNN-UHFFFAOYSA-N 1 2 342.468 3.481 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+](Cc2cccnc2)C(C)C)c(C#N)c1C ZINC000125660982 162283654 /nfs/dbraw/zinc/28/36/54/162283654.db2.gz SUFMIEZWGURHNN-UHFFFAOYSA-N 1 2 342.468 3.481 20 30 EGEDLO Cc1[nH+]c2ccccn2c1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000151080910 162567425 /nfs/dbraw/zinc/56/74/25/162567425.db2.gz NKECKEWPSYTPSN-UHFFFAOYSA-N 1 2 328.379 3.130 20 30 EGEDLO CSc1ccccc1[C@@H](C)[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000336965454 163094900 /nfs/dbraw/zinc/09/49/00/163094900.db2.gz JFEURUDHVDLLLU-PXAZEXFGSA-N 1 2 325.437 3.157 20 30 EGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000360447527 167331655 /nfs/dbraw/zinc/33/16/55/167331655.db2.gz NNPSLYHDNNHJTD-INIZCTEOSA-N 1 2 338.455 3.359 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296667674 270042516 /nfs/dbraw/zinc/04/25/16/270042516.db2.gz KLKABRZTVFRPBJ-UHFFFAOYSA-N 1 2 339.826 3.475 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296667674 270042517 /nfs/dbraw/zinc/04/25/17/270042517.db2.gz KLKABRZTVFRPBJ-UHFFFAOYSA-N 1 2 339.826 3.475 20 30 EGEDLO N#Cc1ccc(OCC[N@H+]2CCOC[C@H]2c2ccc(F)cc2)cc1 ZINC000451786217 270053600 /nfs/dbraw/zinc/05/36/00/270053600.db2.gz JUCSYXLZHGVULK-IBGZPJMESA-N 1 2 326.371 3.150 20 30 EGEDLO N#Cc1ccc(OCC[N@@H+]2CCOC[C@H]2c2ccc(F)cc2)cc1 ZINC000451786217 270053601 /nfs/dbraw/zinc/05/36/01/270053601.db2.gz JUCSYXLZHGVULK-IBGZPJMESA-N 1 2 326.371 3.150 20 30 EGEDLO C[C@H]1CC(F)(F)CC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000528771843 270060151 /nfs/dbraw/zinc/06/01/51/270060151.db2.gz UYTWMHLHAMUFIS-JTQLQIEISA-N 1 2 327.762 3.270 20 30 EGEDLO C[C@H]1CC(F)(F)CC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000528771843 270060153 /nfs/dbraw/zinc/06/01/53/270060153.db2.gz UYTWMHLHAMUFIS-JTQLQIEISA-N 1 2 327.762 3.270 20 30 EGEDLO C[C@@H](c1nccs1)[NH+]1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000329631242 267004754 /nfs/dbraw/zinc/00/47/54/267004754.db2.gz RGTHDMDMFPRPMM-AWEZNQCLSA-N 1 2 349.463 3.446 20 30 EGEDLO CCCCOC1CC[NH+]([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000435042226 267010793 /nfs/dbraw/zinc/01/07/93/267010793.db2.gz LGGPPBPOXYFGPM-SFHVURJKSA-N 1 2 330.428 3.053 20 30 EGEDLO CCCc1csc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)n1 ZINC000426416787 267043646 /nfs/dbraw/zinc/04/36/46/267043646.db2.gz LYHNOBGRPCVYCM-UHFFFAOYSA-N 1 2 344.459 3.429 20 30 EGEDLO CCOc1ccccc1N1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000512433910 267175486 /nfs/dbraw/zinc/17/54/86/267175486.db2.gz QOKAJYQQJNVLPS-UHFFFAOYSA-N 1 2 339.414 3.418 20 30 EGEDLO C[C@H]1CN(c2ccc(CNc3c(F)cc(C#N)cc3F)c[nH+]2)CCO1 ZINC000299667616 267239425 /nfs/dbraw/zinc/23/94/25/267239425.db2.gz ILYIFJWZNMDKCU-LBPRGKRZSA-N 1 2 344.365 3.069 20 30 EGEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cccc(C#N)c1Br ZINC000456343025 267257179 /nfs/dbraw/zinc/25/71/79/267257179.db2.gz GIIMMIHALRLEIT-SNVBAGLBSA-N 1 2 347.216 3.028 20 30 EGEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc(Br)cc1C#N ZINC000456347816 267257612 /nfs/dbraw/zinc/25/76/12/267257612.db2.gz XKJHMKQAQHKESN-SNVBAGLBSA-N 1 2 347.216 3.028 20 30 EGEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1cc(C)c(N(C)C)cc1C#N ZINC000417130755 267258008 /nfs/dbraw/zinc/25/80/08/267258008.db2.gz CBZPESZAIUMYOT-CYBMUJFWSA-N 1 2 340.431 3.032 20 30 EGEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000454994599 267258794 /nfs/dbraw/zinc/25/87/94/267258794.db2.gz HKKACMAFXRWPFD-ZDUSSCGKSA-N 1 2 341.415 3.445 20 30 EGEDLO CN(C)c1ccc2cc(NC(=O)CNc3cccc(C#N)c3)ccc2[nH+]1 ZINC000495072184 267293145 /nfs/dbraw/zinc/29/31/45/267293145.db2.gz CYUIQUYLJYTMPS-UHFFFAOYSA-N 1 2 345.406 3.223 20 30 EGEDLO Cc1cc(NC(=O)c2ccnc(C#N)c2)c[nH+]c1N1CCCC[C@H]1C ZINC000281052795 267345386 /nfs/dbraw/zinc/34/53/86/267345386.db2.gz BQDXFNVVYXWKMA-CQSZACIVSA-N 1 2 335.411 3.288 20 30 EGEDLO Cc1nsc(N2CC[NH+](CCCCC(F)(F)F)CC2)c1C#N ZINC000289610821 267693544 /nfs/dbraw/zinc/69/35/44/267693544.db2.gz YJJSTRACDCQORG-UHFFFAOYSA-N 1 2 332.395 3.178 20 30 EGEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ccc(F)cc2C#N)cc1 ZINC000486443842 268044000 /nfs/dbraw/zinc/04/40/00/268044000.db2.gz IFYXKAYOTHAMQE-HXUWFJFHSA-N 1 2 339.414 3.491 20 30 EGEDLO N#Cc1ccc(C(F)(F)F)nc1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000301645457 268049221 /nfs/dbraw/zinc/04/92/21/268049221.db2.gz PCRDWCXNOLMLBW-ZDUSSCGKSA-N 1 2 334.301 3.025 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000298738330 268099910 /nfs/dbraw/zinc/09/99/10/268099910.db2.gz ABROECNTRNKQOK-INIZCTEOSA-N 1 2 328.803 3.315 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000298738330 268099911 /nfs/dbraw/zinc/09/99/11/268099911.db2.gz ABROECNTRNKQOK-INIZCTEOSA-N 1 2 328.803 3.315 20 30 EGEDLO Cc1oc2nc(C[N@@H+](C)[C@@H](C)c3cccc(C#N)c3)nc(N)c2c1C ZINC000425538836 268105773 /nfs/dbraw/zinc/10/57/73/268105773.db2.gz SOOCDYKKGMRNHC-LBPRGKRZSA-N 1 2 335.411 3.487 20 30 EGEDLO Cc1oc2nc(C[N@H+](C)[C@@H](C)c3cccc(C#N)c3)nc(N)c2c1C ZINC000425538836 268105775 /nfs/dbraw/zinc/10/57/75/268105775.db2.gz SOOCDYKKGMRNHC-LBPRGKRZSA-N 1 2 335.411 3.487 20 30 EGEDLO N#Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)s1 ZINC000421605891 268231203 /nfs/dbraw/zinc/23/12/03/268231203.db2.gz XTGOIUGELWZETN-QGZVFWFLSA-N 1 2 343.427 3.040 20 30 EGEDLO N#Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)s1 ZINC000421605891 268231205 /nfs/dbraw/zinc/23/12/05/268231205.db2.gz XTGOIUGELWZETN-QGZVFWFLSA-N 1 2 343.427 3.040 20 30 EGEDLO N#Cc1cccc(/C=C/C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)c1 ZINC000492370131 268266265 /nfs/dbraw/zinc/26/62/65/268266265.db2.gz QODIYTYCSXDJJZ-BQYQJAHWSA-N 1 2 328.375 3.278 20 30 EGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000459331817 268290402 /nfs/dbraw/zinc/29/04/02/268290402.db2.gz WLMOCHHYEWHAHL-CYBMUJFWSA-N 1 2 328.397 3.303 20 30 EGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000459331817 268290404 /nfs/dbraw/zinc/29/04/04/268290404.db2.gz WLMOCHHYEWHAHL-CYBMUJFWSA-N 1 2 328.397 3.303 20 30 EGEDLO N#Cc1ccsc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333444618 268301680 /nfs/dbraw/zinc/30/16/80/268301680.db2.gz MKRKKMYTHIUEJP-UHFFFAOYSA-N 1 2 340.452 3.172 20 30 EGEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC=C(c3ccco3)C2)C1=O ZINC000285219705 268304718 /nfs/dbraw/zinc/30/47/18/268304718.db2.gz FFQLZUDMLQXMSX-OAHLLOKOSA-N 1 2 339.420 3.107 20 30 EGEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC=C(c3ccco3)C2)C1=O ZINC000285219705 268304721 /nfs/dbraw/zinc/30/47/21/268304721.db2.gz FFQLZUDMLQXMSX-OAHLLOKOSA-N 1 2 339.420 3.107 20 30 EGEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000275039264 275250938 /nfs/dbraw/zinc/25/09/38/275250938.db2.gz GFQAEUVEOMVJPX-UHFFFAOYSA-N 1 2 346.793 3.184 20 30 EGEDLO N#Cc1cccc(CNC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000255356671 308047660 /nfs/dbraw/zinc/04/76/60/308047660.db2.gz KRLFYPCUGDGOFH-TWGQIWQCSA-N 1 2 328.375 3.074 20 30 EGEDLO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492771355 311289199 /nfs/dbraw/zinc/28/91/99/311289199.db2.gz SFLZMRSYIOSCSC-DAXSKMNVSA-N 1 2 345.362 3.429 20 30 EGEDLO COC(=O)c1cccc(C[NH2+][C@H](C)c2cccc(F)c2F)c1C#N ZINC000539330136 314306736 /nfs/dbraw/zinc/30/67/36/314306736.db2.gz NAMXQOXCCKHHPP-LLVKDONJSA-N 1 2 330.334 3.474 20 30 EGEDLO Cn1c2ccc(CNc3ccc(Cl)c(C#N)n3)cc2[nH+]c1C1CC1 ZINC000563424189 316019956 /nfs/dbraw/zinc/01/99/56/316019956.db2.gz JSXPLCUBJGDCES-UHFFFAOYSA-N 1 2 337.814 3.405 20 30 EGEDLO CCN1CCN(c2cccc(C(F)F)c2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000566927167 316545548 /nfs/dbraw/zinc/54/55/48/316545548.db2.gz VQCHYLYRDMCTOV-OAHLLOKOSA-N 1 2 331.370 3.102 20 30 EGEDLO CCNc1ccc(C#N)cc1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000569516361 316925492 /nfs/dbraw/zinc/92/54/92/316925492.db2.gz LFBWTDMLKIZUSI-UHFFFAOYSA-N 1 2 333.395 3.127 20 30 EGEDLO CC[N@@H+](Cc1cc(Br)c2c(c1)OCCO2)C[C@@H](C)C#N ZINC000179816984 455083838 /nfs/dbraw/zinc/08/38/38/455083838.db2.gz OLDAQNLHBHXZDU-NSHDSACASA-N 1 2 339.233 3.202 20 30 EGEDLO CC[N@H+](Cc1cc(Br)c2c(c1)OCCO2)C[C@@H](C)C#N ZINC000179816984 455083839 /nfs/dbraw/zinc/08/38/39/455083839.db2.gz OLDAQNLHBHXZDU-NSHDSACASA-N 1 2 339.233 3.202 20 30 EGEDLO CCn1cc[nH+]c1[C@@H](C)Nc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000578723827 325008011 /nfs/dbraw/zinc/00/80/11/325008011.db2.gz AIUCZLOBTAOCRV-CQSZACIVSA-N 1 2 348.454 3.295 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000339456227 457124172 /nfs/dbraw/zinc/12/41/72/457124172.db2.gz WLALRCQUBVWZSE-CJNGLKHVSA-N 1 2 348.409 3.007 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000339456227 457124182 /nfs/dbraw/zinc/12/41/82/457124182.db2.gz WLALRCQUBVWZSE-CJNGLKHVSA-N 1 2 348.409 3.007 20 30 EGEDLO C=CC[N@@H+](C/C=C\c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000511110917 458777768 /nfs/dbraw/zinc/77/77/68/458777768.db2.gz VYEAXBHACUTWAE-MJSXRHKHSA-N 1 2 325.861 3.028 20 30 EGEDLO C=CC[N@H+](C/C=C\c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000511110917 458777771 /nfs/dbraw/zinc/77/77/71/458777771.db2.gz VYEAXBHACUTWAE-MJSXRHKHSA-N 1 2 325.861 3.028 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)NCCCn1cc[nH+]c1 ZINC000264573862 455240266 /nfs/dbraw/zinc/24/02/66/455240266.db2.gz VZPBQOMSQYIZAZ-CQSZACIVSA-N 1 2 343.456 3.347 20 30 EGEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000580723341 459263626 /nfs/dbraw/zinc/26/36/26/459263626.db2.gz WTBWXTWXGYNKGG-QWRGUYRKSA-N 1 2 329.322 3.194 20 30 EGEDLO C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000569461604 459456405 /nfs/dbraw/zinc/45/64/05/459456405.db2.gz YBOPQUFNEYKRAS-BDJLRTHQSA-N 1 2 342.270 3.132 20 30 EGEDLO C[C@]1(C#N)CCC[N@@H+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000612167174 460558606 /nfs/dbraw/zinc/55/86/06/460558606.db2.gz VINFPXZTXFNJQM-UYAOXDASSA-N 1 2 325.456 3.366 20 30 EGEDLO C[C@]1(C#N)CCC[N@H+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000612167174 460558615 /nfs/dbraw/zinc/55/86/15/460558615.db2.gz VINFPXZTXFNJQM-UYAOXDASSA-N 1 2 325.456 3.366 20 30 EGEDLO N#CCC[C@@H](C#N)C[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000600761528 460593415 /nfs/dbraw/zinc/59/34/15/460593415.db2.gz ROWYCYVDDALWKO-XHDPSFHLSA-N 1 2 326.227 3.450 20 30 EGEDLO C[N@@H+](Cc1c(F)cccc1Cl)C[C@H](O)COc1ccc(C#N)cc1 ZINC000023408943 453709724 /nfs/dbraw/zinc/70/97/24/453709724.db2.gz PSXLEDHOAMXIBA-AWEZNQCLSA-N 1 2 348.805 3.222 20 30 EGEDLO C[N@H+](Cc1c(F)cccc1Cl)C[C@H](O)COc1ccc(C#N)cc1 ZINC000023408943 453709725 /nfs/dbraw/zinc/70/97/25/453709725.db2.gz PSXLEDHOAMXIBA-AWEZNQCLSA-N 1 2 348.805 3.222 20 30 EGEDLO N#Cc1ccc(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000031661681 453851280 /nfs/dbraw/zinc/85/12/80/453851280.db2.gz VJFXGSMGHYNEIB-UHFFFAOYSA-N 1 2 331.379 3.125 20 30 EGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c1C ZINC000081616953 453896343 /nfs/dbraw/zinc/89/63/43/453896343.db2.gz RQEBGEIBFYEWBS-ZWKOTPCHSA-N 1 2 349.434 3.341 20 30 EGEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)CCC3CCCC3)CC2)c1 ZINC000075633905 453913335 /nfs/dbraw/zinc/91/33/35/453913335.db2.gz CHGAXGCZDOCAFF-UHFFFAOYSA-N 1 2 325.456 3.173 20 30 EGEDLO Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000076153932 453972409 /nfs/dbraw/zinc/97/24/09/453972409.db2.gz YROILZRVNQWLKW-SFTDATJTSA-N 1 2 347.462 3.383 20 30 EGEDLO Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000076153932 453972412 /nfs/dbraw/zinc/97/24/12/453972412.db2.gz YROILZRVNQWLKW-SFTDATJTSA-N 1 2 347.462 3.383 20 30 EGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1ccco1 ZINC000042334488 454007142 /nfs/dbraw/zinc/00/71/42/454007142.db2.gz LJNQIRSHJQBJAU-OAHLLOKOSA-N 1 2 341.411 3.055 20 30 EGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1ccco1 ZINC000042334488 454007146 /nfs/dbraw/zinc/00/71/46/454007146.db2.gz LJNQIRSHJQBJAU-OAHLLOKOSA-N 1 2 341.411 3.055 20 30 EGEDLO Cc1ncc(C[N@@H+](C)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)s1 ZINC000077185258 454071414 /nfs/dbraw/zinc/07/14/14/454071414.db2.gz JZJZGEWXOXHEIC-TXKKKEFDSA-N 1 2 348.516 3.203 20 30 EGEDLO Cc1ncc(C[N@H+](C)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)s1 ZINC000077185258 454071418 /nfs/dbraw/zinc/07/14/18/454071418.db2.gz JZJZGEWXOXHEIC-TXKKKEFDSA-N 1 2 348.516 3.203 20 30 EGEDLO CCN(CC)c1ccc(CNc2c(C#N)nnc3ccccc32)c[nH+]1 ZINC000077190433 454072942 /nfs/dbraw/zinc/07/29/42/454072942.db2.gz RSTMJFMCISCKML-UHFFFAOYSA-N 1 2 332.411 3.355 20 30 EGEDLO C=C(Br)C[NH2+][C@H](CCSC)c1nnc2ccccn21 ZINC000184600135 455411161 /nfs/dbraw/zinc/41/11/61/455411161.db2.gz DTYGEBORDFCIFM-LLVKDONJSA-N 1 2 341.278 3.022 20 30 EGEDLO C=CCCO[C@H](C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000069355580 454097621 /nfs/dbraw/zinc/09/76/21/454097621.db2.gz WXPDAZWPEYFGMY-IXDOHACOSA-N 1 2 346.471 3.216 20 30 EGEDLO C=CCCO[C@H](C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000069355580 454097624 /nfs/dbraw/zinc/09/76/24/454097624.db2.gz WXPDAZWPEYFGMY-IXDOHACOSA-N 1 2 346.471 3.216 20 30 EGEDLO CCOc1ccc(C#N)cc1NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000088374755 454101933 /nfs/dbraw/zinc/10/19/33/454101933.db2.gz BSDPYSWEGVJEMK-HNNXBMFYSA-N 1 2 339.399 3.439 20 30 EGEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000057876959 454154023 /nfs/dbraw/zinc/15/40/23/454154023.db2.gz VHTWTNNWGTVMGR-UHFFFAOYSA-N 1 2 332.407 3.205 20 30 EGEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000057876959 454154025 /nfs/dbraw/zinc/15/40/25/454154025.db2.gz VHTWTNNWGTVMGR-UHFFFAOYSA-N 1 2 332.407 3.205 20 30 EGEDLO COc1ccc(C[NH+]2CCC(C#N)CC2)c(Br)c1OC ZINC000057872708 454154238 /nfs/dbraw/zinc/15/42/38/454154238.db2.gz WLEBOWYGZOEVEV-UHFFFAOYSA-N 1 2 339.233 3.202 20 30 EGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000130287596 454188235 /nfs/dbraw/zinc/18/82/35/454188235.db2.gz GHKGGFQZNPBGFW-HNNXBMFYSA-N 1 2 339.464 3.333 20 30 EGEDLO C=CC[N@@H+](CC(=O)N(C)Cc1cccc(OC)c1)Cc1cccs1 ZINC000060942779 454321628 /nfs/dbraw/zinc/32/16/28/454321628.db2.gz JWZXPPRNXFRBEY-UHFFFAOYSA-N 1 2 344.480 3.403 20 30 EGEDLO C=CC[N@H+](CC(=O)N(C)Cc1cccc(OC)c1)Cc1cccs1 ZINC000060942779 454321632 /nfs/dbraw/zinc/32/16/32/454321632.db2.gz JWZXPPRNXFRBEY-UHFFFAOYSA-N 1 2 344.480 3.403 20 30 EGEDLO C[C@@H]1[C@H](C)SCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000072665670 454325246 /nfs/dbraw/zinc/32/52/46/454325246.db2.gz MFOGCGQVPGISNV-OLZOCXBDSA-N 1 2 335.498 3.067 20 30 EGEDLO C[C@@H]1[C@H](C)SCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000072665670 454325253 /nfs/dbraw/zinc/32/52/53/454325253.db2.gz MFOGCGQVPGISNV-OLZOCXBDSA-N 1 2 335.498 3.067 20 30 EGEDLO COc1cc[nH+]cc1NC(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000132866690 454372374 /nfs/dbraw/zinc/37/23/74/454372374.db2.gz JOQCYNMFDZAOTI-UHFFFAOYSA-N 1 2 340.408 3.208 20 30 EGEDLO CC[N@@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)C[C@H](C)C#N ZINC000064249136 454470622 /nfs/dbraw/zinc/47/06/22/454470622.db2.gz FAMXLMOFPZIWML-OAHLLOKOSA-N 1 2 333.451 3.434 20 30 EGEDLO CC[N@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)C[C@H](C)C#N ZINC000064249136 454470626 /nfs/dbraw/zinc/47/06/26/454470626.db2.gz FAMXLMOFPZIWML-OAHLLOKOSA-N 1 2 333.451 3.434 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000121768477 454474214 /nfs/dbraw/zinc/47/42/14/454474214.db2.gz PWMCJMHOZMYQHW-IBGZPJMESA-N 1 2 335.407 3.011 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000121768477 454474216 /nfs/dbraw/zinc/47/42/16/454474216.db2.gz PWMCJMHOZMYQHW-IBGZPJMESA-N 1 2 335.407 3.011 20 30 EGEDLO Cc1cccn2cc(COc3ccc(C(=O)N[C@@H](C)CC#N)cc3)[nH+]c12 ZINC000064345867 454475103 /nfs/dbraw/zinc/47/51/03/454475103.db2.gz LRISIPGJCBAZFX-HNNXBMFYSA-N 1 2 348.406 3.254 20 30 EGEDLO N#Cc1cc(Br)ccc1N1CCC(n2cc[nH+]c2)CC1 ZINC000121900007 454491024 /nfs/dbraw/zinc/49/10/24/454491024.db2.gz LDETYMDWRXXIAC-UHFFFAOYSA-N 1 2 331.217 3.359 20 30 EGEDLO COc1cc[nH+]cc1NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000102248711 454497077 /nfs/dbraw/zinc/49/70/77/454497077.db2.gz WUUFZQCBPCQUSD-UHFFFAOYSA-N 1 2 349.346 3.386 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(CC#N)c1)c1cccc(F)c1 ZINC000049617636 454552808 /nfs/dbraw/zinc/55/28/08/454552808.db2.gz JIDUZMJKQGOLQE-GOSISDBHSA-N 1 2 348.381 3.145 20 30 EGEDLO C=CC[N@@H+](Cc1c(CC)oc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000092361261 454556394 /nfs/dbraw/zinc/55/63/94/454556394.db2.gz HGHXJLCWEAZIKU-CQSZACIVSA-N 1 2 333.453 3.170 20 30 EGEDLO C=CC[N@H+](Cc1c(CC)oc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000092361261 454556400 /nfs/dbraw/zinc/55/64/00/454556400.db2.gz HGHXJLCWEAZIKU-CQSZACIVSA-N 1 2 333.453 3.170 20 30 EGEDLO Cc1cc(C)cc(C2=CC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)c1 ZINC000092427852 454564565 /nfs/dbraw/zinc/56/45/65/454564565.db2.gz JRABUJUBRNNGEN-NRFANRHFSA-N 1 2 337.467 3.201 20 30 EGEDLO Cc1cc(C)cc(C2=CC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)c1 ZINC000092427852 454564569 /nfs/dbraw/zinc/56/45/69/454564569.db2.gz JRABUJUBRNNGEN-NRFANRHFSA-N 1 2 337.467 3.201 20 30 EGEDLO COc1ccccc1C[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000123075456 454600040 /nfs/dbraw/zinc/60/00/40/454600040.db2.gz FNMDUOSHWQPGTN-UHFFFAOYSA-N 1 2 343.452 3.316 20 30 EGEDLO COc1ccccc1C[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000123075456 454600046 /nfs/dbraw/zinc/60/00/46/454600046.db2.gz FNMDUOSHWQPGTN-UHFFFAOYSA-N 1 2 343.452 3.316 20 30 EGEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2c(C)cccc2C)cc1C#N ZINC000134976715 454618689 /nfs/dbraw/zinc/61/86/89/454618689.db2.gz OWISWIPKMGDFRX-UHFFFAOYSA-N 1 2 337.423 3.254 20 30 EGEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2C)cc1C#N ZINC000134976715 454618693 /nfs/dbraw/zinc/61/86/93/454618693.db2.gz OWISWIPKMGDFRX-UHFFFAOYSA-N 1 2 337.423 3.254 20 30 EGEDLO C=CCOc1ccccc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000123345051 454628301 /nfs/dbraw/zinc/62/83/01/454628301.db2.gz MPXPGLQGJTUPFZ-RDJZCZTQSA-N 1 2 325.412 3.171 20 30 EGEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)NCc2cccc(C#N)c2)c1 ZINC000105343197 454634994 /nfs/dbraw/zinc/63/49/94/454634994.db2.gz KXRXBADPGMJGIS-UHFFFAOYSA-N 1 2 331.379 3.280 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+](C)CCOc2cccc(C)c2)c(C#N)c1C ZINC000140618011 454822799 /nfs/dbraw/zinc/82/27/99/454822799.db2.gz DLDRECPAWJHXDL-UHFFFAOYSA-N 1 2 341.411 3.026 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+](C)CCOc2cccc(C)c2)c(C#N)c1C ZINC000140618011 454822803 /nfs/dbraw/zinc/82/28/03/454822803.db2.gz DLDRECPAWJHXDL-UHFFFAOYSA-N 1 2 341.411 3.026 20 30 EGEDLO CC[N@H+](Cc1cccc(Cl)c1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000154032326 454858452 /nfs/dbraw/zinc/85/84/52/454858452.db2.gz ZMRGBSRQNTXFSS-KRWDZBQOSA-N 1 2 327.815 3.260 20 30 EGEDLO CC[N@@H+](Cc1cccc(Cl)c1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000154032326 454858456 /nfs/dbraw/zinc/85/84/56/454858456.db2.gz ZMRGBSRQNTXFSS-KRWDZBQOSA-N 1 2 327.815 3.260 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC000112984018 454908362 /nfs/dbraw/zinc/90/83/62/454908362.db2.gz MZBAYRFNCQLFEX-HNNXBMFYSA-N 1 2 341.436 3.102 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H]1COc1ccccc1 ZINC000112984018 454908363 /nfs/dbraw/zinc/90/83/63/454908363.db2.gz MZBAYRFNCQLFEX-HNNXBMFYSA-N 1 2 341.436 3.102 20 30 EGEDLO C#CCOc1ccc(C[NH2+][C@H](c2nccn2C)c2cccc(F)c2)cc1 ZINC000113319106 454921888 /nfs/dbraw/zinc/92/18/88/454921888.db2.gz RWGVBZZZVFPWDM-FQEVSTJZSA-N 1 2 349.409 3.450 20 30 EGEDLO COc1ccc(C#N)cc1CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178492314 454956805 /nfs/dbraw/zinc/95/68/05/454956805.db2.gz WAYDYQZTXFWWEJ-UHFFFAOYSA-N 1 2 339.414 3.024 20 30 EGEDLO COc1ccc(C#N)cc1C[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000178492314 454956809 /nfs/dbraw/zinc/95/68/09/454956809.db2.gz WAYDYQZTXFWWEJ-UHFFFAOYSA-N 1 2 339.414 3.024 20 30 EGEDLO Cc1ccn2c(C[NH+]3CCN([C@H](C#N)c4ccccc4)CC3)cnc2c1 ZINC000155253315 454980244 /nfs/dbraw/zinc/98/02/44/454980244.db2.gz VZKIODVKINXYTL-HXUWFJFHSA-N 1 2 345.450 3.025 20 30 EGEDLO Cc1ccn2c(CN3CCN([C@H](C#N)c4ccccc4)CC3)c[nH+]c2c1 ZINC000155253315 454980249 /nfs/dbraw/zinc/98/02/49/454980249.db2.gz VZKIODVKINXYTL-HXUWFJFHSA-N 1 2 345.450 3.025 20 30 EGEDLO CC(C)(C)OCCO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000171093823 455029631 /nfs/dbraw/zinc/02/96/31/455029631.db2.gz FHTFKKNGWNOVRM-UHFFFAOYSA-N 1 2 343.427 3.113 20 30 EGEDLO O=C(/C=C/c1[nH+]ccn1CC(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000171114157 455032118 /nfs/dbraw/zinc/03/21/18/455032118.db2.gz WVIISHDABJMLFR-DUXPYHPUSA-N 1 2 338.285 3.113 20 30 EGEDLO C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1cccnc1 ZINC000156041939 455075547 /nfs/dbraw/zinc/07/55/47/455075547.db2.gz QKHHUYLQSMVNBQ-UHFFFAOYSA-N 1 2 342.830 3.114 20 30 EGEDLO C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1cccnc1 ZINC000156041939 455075550 /nfs/dbraw/zinc/07/55/50/455075550.db2.gz QKHHUYLQSMVNBQ-UHFFFAOYSA-N 1 2 342.830 3.114 20 30 EGEDLO O=C(c1cccs1)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000128724711 455080064 /nfs/dbraw/zinc/08/00/64/455080064.db2.gz KCHHTHKOUKKOCE-UHFFFAOYSA-N 1 2 342.439 3.087 20 30 EGEDLO O=C(c1cccs1)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000128724711 455080067 /nfs/dbraw/zinc/08/00/67/455080067.db2.gz KCHHTHKOUKKOCE-UHFFFAOYSA-N 1 2 342.439 3.087 20 30 EGEDLO CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000152379400 455110577 /nfs/dbraw/zinc/11/05/77/455110577.db2.gz NENASWRKXZXOAU-YJBOKZPZSA-N 1 2 336.439 3.124 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000152396561 455112692 /nfs/dbraw/zinc/11/26/92/455112692.db2.gz UQWPXVOHUXKGOG-ZIAGYGMSSA-N 1 2 349.525 3.457 20 30 EGEDLO C=C(C)C[N@@H+](C)Cc1nc(-c2ccc(OC(F)F)c(OC)c2)no1 ZINC000181286097 455313889 /nfs/dbraw/zinc/31/38/89/455313889.db2.gz FEXDYKRJACZIDM-UHFFFAOYSA-N 1 2 339.342 3.355 20 30 EGEDLO C=C(C)C[N@H+](C)Cc1nc(-c2ccc(OC(F)F)c(OC)c2)no1 ZINC000181286097 455313892 /nfs/dbraw/zinc/31/38/92/455313892.db2.gz FEXDYKRJACZIDM-UHFFFAOYSA-N 1 2 339.342 3.355 20 30 EGEDLO CCOCCOc1ccc(Br)cc1C[NH2+]C[C@H](C)C#N ZINC000183837021 455331196 /nfs/dbraw/zinc/33/11/96/455331196.db2.gz SECFDZNYCUSIRD-GFCCVEGCSA-N 1 2 341.249 3.114 20 30 EGEDLO Cc1cc(C)c(C#N)c(N(C)Cc2[nH+]ccn2Cc2ccccc2)n1 ZINC000159725266 455398143 /nfs/dbraw/zinc/39/81/43/455398143.db2.gz XYLBEKOMPRWSAM-UHFFFAOYSA-N 1 2 331.423 3.451 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](COC)c1ccco1 ZINC000184572042 455406057 /nfs/dbraw/zinc/40/60/57/455406057.db2.gz XXPVFCIRSXXWTA-OAHLLOKOSA-N 1 2 346.452 3.474 20 30 EGEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC000191120716 455447285 /nfs/dbraw/zinc/44/72/85/455447285.db2.gz MGNWHAKVZBBCGJ-ZDUSSCGKSA-N 1 2 344.411 3.097 20 30 EGEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC000191120716 455447293 /nfs/dbraw/zinc/44/72/93/455447293.db2.gz MGNWHAKVZBBCGJ-ZDUSSCGKSA-N 1 2 344.411 3.097 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1nc(C2CCCCC2)no1 ZINC000185264752 455530453 /nfs/dbraw/zinc/53/04/53/455530453.db2.gz AVFOANPTBNEBIE-HUUCEWRRSA-N 1 2 346.475 3.357 20 30 EGEDLO C=CCc1cc(C[N@H+]2CCCC[C@H]2C(=O)OCC)cc(OC)c1O ZINC000161255302 455553179 /nfs/dbraw/zinc/55/31/79/455553179.db2.gz PNNFAMZKMFLZSC-INIZCTEOSA-N 1 2 333.428 3.047 20 30 EGEDLO C=CCc1cc(C[N@@H+]2CCCC[C@H]2C(=O)OCC)cc(OC)c1O ZINC000161255302 455553182 /nfs/dbraw/zinc/55/31/82/455553182.db2.gz PNNFAMZKMFLZSC-INIZCTEOSA-N 1 2 333.428 3.047 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000185522974 455572331 /nfs/dbraw/zinc/57/23/31/455572331.db2.gz CXDYYTKJTLEFBC-HNNXBMFYSA-N 1 2 334.410 3.239 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000185522974 455572338 /nfs/dbraw/zinc/57/23/38/455572338.db2.gz CXDYYTKJTLEFBC-HNNXBMFYSA-N 1 2 334.410 3.239 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000268009912 455579068 /nfs/dbraw/zinc/57/90/68/455579068.db2.gz GNGFZQIWLAGOPD-CQSZACIVSA-N 1 2 329.400 3.187 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000268009912 455579069 /nfs/dbraw/zinc/57/90/69/455579069.db2.gz GNGFZQIWLAGOPD-CQSZACIVSA-N 1 2 329.400 3.187 20 30 EGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1c(F)c(F)nc(F)c1F ZINC000268079882 455589369 /nfs/dbraw/zinc/58/93/69/455589369.db2.gz HTDAKLLYPGOYAZ-UHFFFAOYSA-N 1 2 342.218 3.033 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000268270709 455636677 /nfs/dbraw/zinc/63/66/77/455636677.db2.gz CFOGDCRUYHJDMG-CXAGYDPISA-N 1 2 347.434 3.432 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000268270709 455636684 /nfs/dbraw/zinc/63/66/84/455636684.db2.gz CFOGDCRUYHJDMG-CXAGYDPISA-N 1 2 347.434 3.432 20 30 EGEDLO C=CCN(C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1)C1CC1 ZINC000271462311 455646563 /nfs/dbraw/zinc/64/65/63/455646563.db2.gz QAPHIAWUBOCMLJ-UHFFFAOYSA-N 1 2 328.460 3.178 20 30 EGEDLO CCc1ccc(C#CC(=O)Nc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000292578285 455702011 /nfs/dbraw/zinc/70/20/11/455702011.db2.gz HYQLGKWQKBDSII-UHFFFAOYSA-N 1 2 348.446 3.071 20 30 EGEDLO C=CCC[C@H](O)C[N@@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000186206390 455716380 /nfs/dbraw/zinc/71/63/80/455716380.db2.gz ZGFHJAMKYVYBCW-NSHDSACASA-N 1 2 328.225 3.273 20 30 EGEDLO C=CCC[C@H](O)C[N@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000186206390 455716384 /nfs/dbraw/zinc/71/63/84/455716384.db2.gz ZGFHJAMKYVYBCW-NSHDSACASA-N 1 2 328.225 3.273 20 30 EGEDLO Cc1cc(C#N)ccc1C[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC000186332215 455745295 /nfs/dbraw/zinc/74/52/95/455745295.db2.gz FWQGBHKBRPMEFG-HNNXBMFYSA-N 1 2 326.469 3.202 20 30 EGEDLO Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000193263819 455749958 /nfs/dbraw/zinc/74/99/58/455749958.db2.gz XMAWXIVRKHGLDN-MRXNPFEDSA-N 1 2 341.374 3.249 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000249943289 455783510 /nfs/dbraw/zinc/78/35/10/455783510.db2.gz XAXWSJLJJLGKPI-QINHECLXSA-N 1 2 349.434 3.347 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000249943289 455783513 /nfs/dbraw/zinc/78/35/13/455783513.db2.gz XAXWSJLJJLGKPI-QINHECLXSA-N 1 2 349.434 3.347 20 30 EGEDLO CCc1nocc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000293336118 455783540 /nfs/dbraw/zinc/78/35/40/455783540.db2.gz GTJRYPQHXHXSGW-LLVKDONJSA-N 1 2 346.818 3.221 20 30 EGEDLO CCc1nocc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000293336118 455783545 /nfs/dbraw/zinc/78/35/45/455783545.db2.gz GTJRYPQHXHXSGW-LLVKDONJSA-N 1 2 346.818 3.221 20 30 EGEDLO C[C@@H](C[NH+]1CCOCC1)Nc1c(C#N)cnc2c(F)ccc(Cl)c21 ZINC000193971357 455789631 /nfs/dbraw/zinc/78/96/31/455789631.db2.gz BQFUEVXXKDTIDY-NSHDSACASA-N 1 2 348.809 3.032 20 30 EGEDLO N#Cc1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000269163744 455801402 /nfs/dbraw/zinc/80/14/02/455801402.db2.gz VIXWCOOSPIJMBT-GFCCVEGCSA-N 1 2 329.791 3.346 20 30 EGEDLO CC[C@H]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000294283238 455810442 /nfs/dbraw/zinc/81/04/42/455810442.db2.gz HLEURBVJYIHKFR-RBUKOAKNSA-N 1 2 325.456 3.029 20 30 EGEDLO COc1ccc(CNc2c[nH+]cc(N(C)C)c2)cc1OCCCC#N ZINC000601063696 460695642 /nfs/dbraw/zinc/69/56/42/460695642.db2.gz IBPPCJNHEUYADF-UHFFFAOYSA-N 1 2 340.427 3.451 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)Cc1ccccn1 ZINC000295083851 455837983 /nfs/dbraw/zinc/83/79/83/455837983.db2.gz DPHHHJYGOPARQN-OAHLLOKOSA-N 1 2 329.469 3.178 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccn1 ZINC000295083851 455837988 /nfs/dbraw/zinc/83/79/88/455837988.db2.gz DPHHHJYGOPARQN-OAHLLOKOSA-N 1 2 329.469 3.178 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2c(F)cncc2F)c(C#N)c1C ZINC000285508172 455859945 /nfs/dbraw/zinc/85/99/45/455859945.db2.gz DFBFLVVBPOVPNE-NXEZZACHSA-N 1 2 348.353 3.119 20 30 EGEDLO Cc1cnccc1C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000295938251 455863473 /nfs/dbraw/zinc/86/34/73/455863473.db2.gz AZJDAXALWSGHST-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1(C)C ZINC000296007514 455866876 /nfs/dbraw/zinc/86/68/76/455866876.db2.gz WANNBZXKFQTSEY-INIZCTEOSA-N 1 2 336.439 3.445 20 30 EGEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)NCCCCC#N ZINC000270061013 455868154 /nfs/dbraw/zinc/86/81/54/455868154.db2.gz FFFGXUNIBUBPCY-INIZCTEOSA-N 1 2 339.443 3.213 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@]1(C#N)CCC[C@H](C)C1 ZINC000280016313 455880515 /nfs/dbraw/zinc/88/05/15/455880515.db2.gz FGEGINKDQQHKPQ-VOJFVSQTSA-N 1 2 346.381 3.212 20 30 EGEDLO N#Cc1ccc(C[N@@H+](CC(=O)Nc2ccc(Cl)cn2)C2CC2)cc1 ZINC000194960614 455905375 /nfs/dbraw/zinc/90/53/75/455905375.db2.gz MUPAQDGVCVERMN-UHFFFAOYSA-N 1 2 340.814 3.210 20 30 EGEDLO N#Cc1ccc(C[N@H+](CC(=O)Nc2ccc(Cl)cn2)C2CC2)cc1 ZINC000194960614 455905377 /nfs/dbraw/zinc/90/53/77/455905377.db2.gz MUPAQDGVCVERMN-UHFFFAOYSA-N 1 2 340.814 3.210 20 30 EGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)N(C)CCC#N ZINC000296366644 455919414 /nfs/dbraw/zinc/91/94/14/455919414.db2.gz QXZOZRZAXZHZFM-LBPRGKRZSA-N 1 2 325.865 3.150 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)N(C)CCC#N ZINC000296366644 455919417 /nfs/dbraw/zinc/91/94/17/455919417.db2.gz QXZOZRZAXZHZFM-LBPRGKRZSA-N 1 2 325.865 3.150 20 30 EGEDLO C[C@H](CC#N)N(C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270385360 455944124 /nfs/dbraw/zinc/94/41/24/455944124.db2.gz WUSUSARXIJZDTO-CQSZACIVSA-N 1 2 335.411 3.368 20 30 EGEDLO C=CCn1c(Cc2ccccc2)nnc1SCc1cc[nH+]c(N)c1 ZINC000195500750 455968808 /nfs/dbraw/zinc/96/88/08/455968808.db2.gz FINLDXXQRGRXQV-UHFFFAOYSA-N 1 2 337.452 3.324 20 30 EGEDLO Cc1oc(C#N)cc1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000280493179 455982110 /nfs/dbraw/zinc/98/21/10/455982110.db2.gz BUJIIBNXVMWBSG-UHFFFAOYSA-N 1 2 338.411 3.165 20 30 EGEDLO C#CCOc1ccccc1NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000296887780 456061318 /nfs/dbraw/zinc/06/13/18/456061318.db2.gz NPTZNLAFOLSUJP-INIZCTEOSA-N 1 2 338.411 3.047 20 30 EGEDLO COC(=O)[C@@H](C)[N@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000280888475 456073802 /nfs/dbraw/zinc/07/38/02/456073802.db2.gz OVLSVKWMMBLORN-OAHLLOKOSA-N 1 2 338.407 3.131 20 30 EGEDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000280888475 456073808 /nfs/dbraw/zinc/07/38/08/456073808.db2.gz OVLSVKWMMBLORN-OAHLLOKOSA-N 1 2 338.407 3.131 20 30 EGEDLO C=CCSCCNC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000297028744 456097438 /nfs/dbraw/zinc/09/74/38/456097438.db2.gz BNTCZHXZMAEBTJ-HNNXBMFYSA-N 1 2 330.457 3.060 20 30 EGEDLO C=CCc1cc(C[NH2+]Cc2noc3c2CCCC3)cc(OC)c1O ZINC000288523076 456097891 /nfs/dbraw/zinc/09/78/91/456097891.db2.gz UVSNFTQYFVYCOC-UHFFFAOYSA-N 1 2 328.412 3.286 20 30 EGEDLO CCCOc1ccc(/C=N/OCc2c[nH+]ccc2OC)cc1OC ZINC000288718217 456104566 /nfs/dbraw/zinc/10/45/66/456104566.db2.gz VSFMUVFDXMYJSF-RGVLZGJSSA-N 1 2 330.384 3.438 20 30 EGEDLO N#Cc1cc(N2CCC(n3cc[nH+]c3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301406432 456108414 /nfs/dbraw/zinc/10/84/14/456108414.db2.gz MBDKCCCXLZLDEO-UHFFFAOYSA-N 1 2 348.366 3.053 20 30 EGEDLO C=CC[N@H+](Cc1cnc(C2OCCO2)s1)Cc1cccc(C#N)c1 ZINC000289277550 456120665 /nfs/dbraw/zinc/12/06/65/456120665.db2.gz FSHDRKQPZBDCRZ-UHFFFAOYSA-N 1 2 341.436 3.248 20 30 EGEDLO C=CC[N@@H+](Cc1cnc(C2OCCO2)s1)Cc1cccc(C#N)c1 ZINC000289277550 456120668 /nfs/dbraw/zinc/12/06/68/456120668.db2.gz FSHDRKQPZBDCRZ-UHFFFAOYSA-N 1 2 341.436 3.248 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c(C#N)c1C ZINC000289821885 456145460 /nfs/dbraw/zinc/14/54/60/456145460.db2.gz ODKRPINTVDKNHJ-VIFPVBQESA-N 1 2 327.400 3.152 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CCC(F)(F)[C@@H](C)C2)c(C#N)c1C ZINC000289821885 456145462 /nfs/dbraw/zinc/14/54/62/456145462.db2.gz ODKRPINTVDKNHJ-VIFPVBQESA-N 1 2 327.400 3.152 20 30 EGEDLO C#C[C@@H](NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1)C(C)C ZINC000281146831 456146820 /nfs/dbraw/zinc/14/68/20/456146820.db2.gz VSNQHXOAEBPCOY-HZPDHXFCSA-N 1 2 344.846 3.120 20 30 EGEDLO CCc1nnc(NCCCc2[nH]c3ccccc3[nH+]2)c(C#N)c1CC ZINC000301613396 456162363 /nfs/dbraw/zinc/16/23/63/456162363.db2.gz HFBVOWXUGZNFGQ-UHFFFAOYSA-N 1 2 334.427 3.394 20 30 EGEDLO CC(C)(C)OC(=O)C1CCC(/[NH+]=C/c2ccc(O)c(O)c2O)CC1 ZINC000271244210 456189622 /nfs/dbraw/zinc/18/96/22/456189622.db2.gz ZYNIMSUACZUHIX-VXLYETTFSA-N 1 2 335.400 3.123 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)CCC1 ZINC000189112970 456231139 /nfs/dbraw/zinc/23/11/39/456231139.db2.gz YPZDBZDALIQGKV-IBGZPJMESA-N 1 2 342.483 3.231 20 30 EGEDLO C=CCOCCCc1nc(Cn2c(CC)[nH+]c3ccccc32)no1 ZINC000274042429 456249556 /nfs/dbraw/zinc/24/95/56/456249556.db2.gz QQAGBJKZQLYFCV-UHFFFAOYSA-N 1 2 326.400 3.165 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1nc2ccccc2n1C ZINC000352794331 456314730 /nfs/dbraw/zinc/31/47/30/456314730.db2.gz AIOLPQKFHXALLN-UHFFFAOYSA-N 1 2 325.412 3.237 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1nc2ccccc2n1C ZINC000352794331 456314736 /nfs/dbraw/zinc/31/47/36/456314736.db2.gz AIOLPQKFHXALLN-UHFFFAOYSA-N 1 2 325.412 3.237 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)N(C)Cc1ccco1)Cc1cnn(C(C)C)c1 ZINC000352914418 456409558 /nfs/dbraw/zinc/40/95/58/456409558.db2.gz KYXXSHWBOZLJBB-UHFFFAOYSA-N 1 2 344.459 3.094 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)N(C)Cc1ccco1)Cc1cnn(C(C)C)c1 ZINC000352914418 456409564 /nfs/dbraw/zinc/40/95/64/456409564.db2.gz KYXXSHWBOZLJBB-UHFFFAOYSA-N 1 2 344.459 3.094 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(F)c3F)CC2)c(F)c1 ZINC000337626177 456435995 /nfs/dbraw/zinc/43/59/95/456435995.db2.gz AONLRRYMOMUNOR-UHFFFAOYSA-N 1 2 331.341 3.298 20 30 EGEDLO C=CCN(CCc1ccco1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000353112275 456496564 /nfs/dbraw/zinc/49/65/64/456496564.db2.gz MWPVLTOAYBYNFR-UHFFFAOYSA-N 1 2 335.407 3.395 20 30 EGEDLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)NC1(C#N)CCCCC1 ZINC000298855127 456556024 /nfs/dbraw/zinc/55/60/24/456556024.db2.gz DUNRGOKGMDCMDM-STQMWFEESA-N 1 2 335.398 3.347 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)c1C#N ZINC000305819085 456562518 /nfs/dbraw/zinc/56/25/18/456562518.db2.gz PLLCKJGVVLEEOC-UZLBHIALSA-N 1 2 338.455 3.035 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)c1C#N ZINC000305819085 456562526 /nfs/dbraw/zinc/56/25/26/456562526.db2.gz PLLCKJGVVLEEOC-UZLBHIALSA-N 1 2 338.455 3.035 20 30 EGEDLO C=CCc1cc(C[N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)cc(OC)c1O ZINC000353320763 456635757 /nfs/dbraw/zinc/63/57/57/456635757.db2.gz NXVLNXFUCDXMNF-INIZCTEOSA-N 1 2 347.455 3.435 20 30 EGEDLO C=CCc1cc(C[N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)cc(OC)c1O ZINC000353320763 456635763 /nfs/dbraw/zinc/63/57/63/456635763.db2.gz NXVLNXFUCDXMNF-INIZCTEOSA-N 1 2 347.455 3.435 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000299290553 456650465 /nfs/dbraw/zinc/65/04/65/456650465.db2.gz GGXMITDZHXJEPY-CJNGLKHVSA-N 1 2 347.846 3.260 20 30 EGEDLO CC[N@@H+](Cc1ccc(F)cc1C#N)C[C@@H]1COc2ccccc2O1 ZINC000343552228 456702669 /nfs/dbraw/zinc/70/26/69/456702669.db2.gz MJWCJESWXNWWOB-QGZVFWFLSA-N 1 2 326.371 3.359 20 30 EGEDLO CC[N@H+](Cc1ccc(F)cc1C#N)C[C@@H]1COc2ccccc2O1 ZINC000343552228 456702674 /nfs/dbraw/zinc/70/26/74/456702674.db2.gz MJWCJESWXNWWOB-QGZVFWFLSA-N 1 2 326.371 3.359 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NCc1ccc(Cl)cc1)CCC2 ZINC000328638100 456725775 /nfs/dbraw/zinc/72/57/75/456725775.db2.gz BHULWYZURDLSFK-AWEZNQCLSA-N 1 2 332.835 3.426 20 30 EGEDLO Cc1cc([C@H]2CCCN(C(=O)Nc3ccc4[nH+]c(C)cn4c3)C2)[nH]n1 ZINC000328703858 456741386 /nfs/dbraw/zinc/74/13/86/456741386.db2.gz XZUBPMCGPSKVEG-AWEZNQCLSA-N 1 2 338.415 3.099 20 30 EGEDLO Cc1cc([C@H]2CCCN(C(=O)Nc3ccc4[nH+]c(C)cn4c3)C2)n[nH]1 ZINC000328703858 456741392 /nfs/dbraw/zinc/74/13/92/456741392.db2.gz XZUBPMCGPSKVEG-AWEZNQCLSA-N 1 2 338.415 3.099 20 30 EGEDLO C[C@H]1C[C@H](C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CCC1=O ZINC000328936594 456795686 /nfs/dbraw/zinc/79/56/86/456795686.db2.gz FYYTYQMKFCSSPU-DOTOQJQBSA-N 1 2 343.471 3.027 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCc3ccccc3[C@@H]2CO)c(OC(F)F)c1 ZINC000353645476 456826195 /nfs/dbraw/zinc/82/61/95/456826195.db2.gz AKNSNYXTQUAGSP-KRWDZBQOSA-N 1 2 344.361 3.251 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCc3ccccc3[C@@H]2CO)c(OC(F)F)c1 ZINC000353645476 456826201 /nfs/dbraw/zinc/82/62/01/456826201.db2.gz AKNSNYXTQUAGSP-KRWDZBQOSA-N 1 2 344.361 3.251 20 30 EGEDLO CCC1(CC)[C@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)[C@H](C)[C@@H]1OC ZINC000329149855 456843824 /nfs/dbraw/zinc/84/38/24/456843824.db2.gz QZXPWRPCTYQVHG-XKQJLSEDSA-N 1 2 348.491 3.343 20 30 EGEDLO CCC1(CC)[C@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)[C@H](C)[C@@H]1OC ZINC000329149855 456843830 /nfs/dbraw/zinc/84/38/30/456843830.db2.gz QZXPWRPCTYQVHG-XKQJLSEDSA-N 1 2 348.491 3.343 20 30 EGEDLO O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)N1CCn2cc[nH+]c2C1 ZINC000329275162 456864882 /nfs/dbraw/zinc/86/48/82/456864882.db2.gz JSFSFXKTFLJRPZ-KRWDZBQOSA-N 1 2 340.402 3.388 20 30 EGEDLO O=C(N[C@H]1CCCOc2cc(Cl)ccc21)N1CCn2cc[nH+]c2C1 ZINC000329274450 456865370 /nfs/dbraw/zinc/86/53/70/456865370.db2.gz KKDAFKSXKWBRID-AWEZNQCLSA-N 1 2 346.818 3.180 20 30 EGEDLO COc1cc(N2CC[NH+](Cc3cc(C#N)cs3)CC2)ccc1F ZINC000338949189 456870077 /nfs/dbraw/zinc/87/00/77/456870077.db2.gz MVSYMFCKOMGNIX-UHFFFAOYSA-N 1 2 331.416 3.090 20 30 EGEDLO C[C@@H]1CCN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CC1(C)C ZINC000329336352 456874822 /nfs/dbraw/zinc/87/48/22/456874822.db2.gz LSFLOCBVMRQAIE-GDBMZVCRSA-N 1 2 348.491 3.170 20 30 EGEDLO Cc1nnc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(F)c3)C2)[nH]1 ZINC000329433901 456889361 /nfs/dbraw/zinc/88/93/61/456889361.db2.gz JAYRGEJZANMRDV-YPMHNXCESA-N 1 2 331.395 3.108 20 30 EGEDLO Cc1nnc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(F)c3)C2)[nH]1 ZINC000329433901 456889365 /nfs/dbraw/zinc/88/93/65/456889365.db2.gz JAYRGEJZANMRDV-YPMHNXCESA-N 1 2 331.395 3.108 20 30 EGEDLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(F)c3)C2)n1 ZINC000329433901 456889367 /nfs/dbraw/zinc/88/93/67/456889367.db2.gz JAYRGEJZANMRDV-YPMHNXCESA-N 1 2 331.395 3.108 20 30 EGEDLO Cc1n[nH]c([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(F)c3)C2)n1 ZINC000329433901 456889370 /nfs/dbraw/zinc/88/93/70/456889370.db2.gz JAYRGEJZANMRDV-YPMHNXCESA-N 1 2 331.395 3.108 20 30 EGEDLO Cc1nc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(F)c3)C2)n[nH]1 ZINC000329433901 456889372 /nfs/dbraw/zinc/88/93/72/456889372.db2.gz JAYRGEJZANMRDV-YPMHNXCESA-N 1 2 331.395 3.108 20 30 EGEDLO Cc1nc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(F)c3)C2)n[nH]1 ZINC000329433901 456889376 /nfs/dbraw/zinc/88/93/76/456889376.db2.gz JAYRGEJZANMRDV-YPMHNXCESA-N 1 2 331.395 3.108 20 30 EGEDLO O=C(N[C@@H]1CCCOc2ccc(F)cc21)C1([NH+]2CCOCC2)CCC1 ZINC000329472302 456895573 /nfs/dbraw/zinc/89/55/73/456895573.db2.gz SEVNETHAMDMPHX-MRXNPFEDSA-N 1 2 348.418 3.251 20 30 EGEDLO COC1(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CCC(C)CC1 ZINC000329485529 456898493 /nfs/dbraw/zinc/89/84/93/456898493.db2.gz GBRVTLADEKKYQD-RMXPPQQLSA-N 1 2 338.492 3.182 20 30 EGEDLO COC1(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CCC(C)CC1 ZINC000329485529 456898495 /nfs/dbraw/zinc/89/84/95/456898495.db2.gz GBRVTLADEKKYQD-RMXPPQQLSA-N 1 2 338.492 3.182 20 30 EGEDLO C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1OCCc2sccc21 ZINC000329492271 456899444 /nfs/dbraw/zinc/89/94/44/456899444.db2.gz TWKMMZQYHWMKBX-OZVIIMIRSA-N 1 2 331.441 3.166 20 30 EGEDLO Cc1ccc([C@@H]2CCN(C([O-])=[NH+][C@H]3CCc4[nH]c[nH+]c4C3)C2)c(C)c1 ZINC000329505450 456901824 /nfs/dbraw/zinc/90/18/24/456901824.db2.gz AJCJMMAPZIFAEP-CVEARBPZSA-N 1 2 338.455 3.287 20 30 EGEDLO Cc1ccc([C@@H]2CCN(C([O-])=[NH+][C@H]3CCc4[nH+]c[nH]c4C3)C2)c(C)c1 ZINC000329505450 456901827 /nfs/dbraw/zinc/90/18/27/456901827.db2.gz AJCJMMAPZIFAEP-CVEARBPZSA-N 1 2 338.455 3.287 20 30 EGEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000345114138 456930903 /nfs/dbraw/zinc/93/09/03/456930903.db2.gz BBMWDUJXCFCQKW-AWEZNQCLSA-N 1 2 325.437 3.139 20 30 EGEDLO COC1(C)CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000329850843 456951269 /nfs/dbraw/zinc/95/12/69/456951269.db2.gz ZXTRRLALWQEPKO-UHFFFAOYSA-N 1 2 340.427 3.153 20 30 EGEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)c1 ZINC000329919774 456961472 /nfs/dbraw/zinc/96/14/72/456961472.db2.gz DOCPAIQDQPFSEF-LESCRADOSA-N 1 2 325.412 3.443 20 30 EGEDLO [O-]C(=[NH+][C@H]1C[C@H](c2ccc(Cl)cc2)C1)N1CCn2cc[nH+]c2C1 ZINC000330006970 456973138 /nfs/dbraw/zinc/97/31/38/456973138.db2.gz DFVHVXXCPPYEOT-CTYIDZIISA-N 1 2 330.819 3.212 20 30 EGEDLO N#C[C@H](NC(=O)c1ccc2[nH+]ccn2c1)c1cccc(C(F)(F)F)c1 ZINC000349484074 456975179 /nfs/dbraw/zinc/97/51/79/456975179.db2.gz KNCHCGWHDQBXHT-AWEZNQCLSA-N 1 2 344.296 3.348 20 30 EGEDLO Cc1nc(CC(C)C)oc1C(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330018071 456975263 /nfs/dbraw/zinc/97/52/63/456975263.db2.gz SEYPBQHMHIUGMW-UKRRQHHQSA-N 1 2 346.431 3.140 20 30 EGEDLO C=CCn1cccc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000345421098 456978673 /nfs/dbraw/zinc/97/86/73/456978673.db2.gz SHUQQMSNUWTZNT-UHFFFAOYSA-N 1 2 338.455 3.227 20 30 EGEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330140910 456990653 /nfs/dbraw/zinc/99/06/53/456990653.db2.gz XHAUYPWTDKKWBT-ULLCEFNNSA-N 1 2 338.492 3.180 20 30 EGEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330140910 456990658 /nfs/dbraw/zinc/99/06/58/456990658.db2.gz XHAUYPWTDKKWBT-ULLCEFNNSA-N 1 2 338.492 3.180 20 30 EGEDLO CC(C)[C@H](NC(=O)C[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1)c1ccccc1 ZINC000330155847 456993201 /nfs/dbraw/zinc/99/32/01/456993201.db2.gz OHEBFMVDYXSUHJ-LSTHTHJFSA-N 1 2 346.471 3.220 20 30 EGEDLO CC(C)[C@H](NC(=O)C[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1)c1ccccc1 ZINC000330155847 456993202 /nfs/dbraw/zinc/99/32/02/456993202.db2.gz OHEBFMVDYXSUHJ-LSTHTHJFSA-N 1 2 346.471 3.220 20 30 EGEDLO C[C@@H](c1cc(F)ccc1F)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000339213306 456994735 /nfs/dbraw/zinc/99/47/35/456994735.db2.gz IRHLBCLOZNUFSK-ZDUSSCGKSA-N 1 2 343.377 3.146 20 30 EGEDLO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000339213306 456994739 /nfs/dbraw/zinc/99/47/39/456994739.db2.gz IRHLBCLOZNUFSK-ZDUSSCGKSA-N 1 2 343.377 3.146 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(c2c(F)cccc2F)CC1 ZINC000362606748 457001912 /nfs/dbraw/zinc/00/19/12/457001912.db2.gz RHIBJQHGBINFAF-AWEZNQCLSA-N 1 2 349.425 3.152 20 30 EGEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCCC(F)(F)C2)C[C@H]1n1cc[nH+]c1 ZINC000330211686 457003661 /nfs/dbraw/zinc/00/36/61/457003661.db2.gz DEKHUPWCWWLNMS-MGPQQGTHSA-N 1 2 326.391 3.258 20 30 EGEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CCCC(F)(F)C2)C[C@H]1n1cc[nH+]c1 ZINC000330211686 457003663 /nfs/dbraw/zinc/00/36/63/457003663.db2.gz DEKHUPWCWWLNMS-MGPQQGTHSA-N 1 2 326.391 3.258 20 30 EGEDLO C=CCOc1cccnc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000341923879 457005039 /nfs/dbraw/zinc/00/50/39/457005039.db2.gz DTCOYGBYQXYPTN-UHFFFAOYSA-N 1 2 338.342 3.224 20 30 EGEDLO O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000330282346 457021127 /nfs/dbraw/zinc/02/11/27/457021127.db2.gz VHBLUPGBEYACIV-LZLYRXPVSA-N 1 2 325.412 3.180 20 30 EGEDLO O=C(Nc1ccc2nnc(C3CCC3)n2c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000330306313 457024151 /nfs/dbraw/zinc/02/41/51/457024151.db2.gz LFSMIHHDXCVJSN-ZDUSSCGKSA-N 1 2 336.399 3.044 20 30 EGEDLO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nnc(C(C)C)[nH]3)C2)n1 ZINC000330323194 457026310 /nfs/dbraw/zinc/02/63/10/457026310.db2.gz SWFIEIMSQUFRKC-CQSZACIVSA-N 1 2 342.447 3.132 20 30 EGEDLO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nnc(C(C)C)[nH]3)C2)n1 ZINC000330323194 457026315 /nfs/dbraw/zinc/02/63/15/457026315.db2.gz SWFIEIMSQUFRKC-CQSZACIVSA-N 1 2 342.447 3.132 20 30 EGEDLO CCN1CCN(C(=O)Nc2c(C)cc(C)cc2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330354012 457034365 /nfs/dbraw/zinc/03/43/65/457034365.db2.gz PCRLCIMCYZNPQA-MRXNPFEDSA-N 1 2 341.459 3.259 20 30 EGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Nc2ccc3c(c2)CCC3)CCO1 ZINC000330360592 457035245 /nfs/dbraw/zinc/03/52/45/457035245.db2.gz XIGYMMYUFDFIGN-AEFFLSMTSA-N 1 2 340.427 3.155 20 30 EGEDLO COCC1(C#N)CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)CC1 ZINC000341981616 457040499 /nfs/dbraw/zinc/04/04/99/457040499.db2.gz FQVJLHWPKPSNFC-INIZCTEOSA-N 1 2 343.471 3.389 20 30 EGEDLO Cc1cc(NC(=O)N[C@H](CO)C(C)(C)C)c[nH+]c1N1CCCC[C@@H]1C ZINC000330782488 457085676 /nfs/dbraw/zinc/08/56/76/457085676.db2.gz HDLMNNRQLMPUSZ-GOEBONIOSA-N 1 2 348.491 3.311 20 30 EGEDLO CC[C@H](O)CCNC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000330786492 457086165 /nfs/dbraw/zinc/08/61/65/457086165.db2.gz VTOWKHXUTSQBNW-ZBFHGGJFSA-N 1 2 334.464 3.256 20 30 EGEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)Nc1cccc(Br)c1 ZINC000330834396 457092210 /nfs/dbraw/zinc/09/22/10/457092210.db2.gz KVVPSXOAZUMTMN-MISXGVKJSA-N 1 2 336.233 3.058 20 30 EGEDLO N#Cc1ccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)s1 ZINC000362912796 457152949 /nfs/dbraw/zinc/15/29/49/457152949.db2.gz OAIHPGKOYYKBQN-UHFFFAOYSA-N 1 2 338.392 3.148 20 30 EGEDLO C=C(C)[C@H](CC(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1)OCC ZINC000339607857 457170409 /nfs/dbraw/zinc/17/04/09/457170409.db2.gz MCZZSVNPIZSZHY-APWZRJJASA-N 1 2 348.462 3.402 20 30 EGEDLO C=CCOc1cccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000363031173 457202684 /nfs/dbraw/zinc/20/26/84/457202684.db2.gz ALGSDUYYIKRVCX-UHFFFAOYSA-N 1 2 349.394 3.154 20 30 EGEDLO N#CC1(NC(=O)C[N@@H+]2CCS[C@@H](c3ccccc3)C2)CCCCC1 ZINC000363177557 457247556 /nfs/dbraw/zinc/24/75/56/457247556.db2.gz VQPDAQXHAXZOJD-QGZVFWFLSA-N 1 2 343.496 3.119 20 30 EGEDLO N#CC1(NC(=O)C[N@H+]2CCS[C@@H](c3ccccc3)C2)CCCCC1 ZINC000363177557 457247561 /nfs/dbraw/zinc/24/75/61/457247561.db2.gz VQPDAQXHAXZOJD-QGZVFWFLSA-N 1 2 343.496 3.119 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(F)(C#N)CC1 ZINC000352449974 457378027 /nfs/dbraw/zinc/37/80/27/457378027.db2.gz POKSBRMLAVVGLS-LLVKDONJSA-N 1 2 343.324 3.360 20 30 EGEDLO C=CCCOCCCCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000342581238 457378301 /nfs/dbraw/zinc/37/83/01/457378301.db2.gz FIUPIONGFWVZLS-UHFFFAOYSA-N 1 2 336.501 3.155 20 30 EGEDLO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000352459093 457384784 /nfs/dbraw/zinc/38/47/84/457384784.db2.gz TUZCLSDJSDVFOY-LSDHHAIUSA-N 1 2 331.435 3.142 20 30 EGEDLO N#Cc1cc(Br)ccc1N1CC[NH+](Cc2ccco2)CC1 ZINC000360949078 457455892 /nfs/dbraw/zinc/45/58/92/457455892.db2.gz GIUGPZPIVTUJAN-UHFFFAOYSA-N 1 2 346.228 3.236 20 30 EGEDLO CC[N@H+](Cc1ccc(CC#N)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000342692417 457459211 /nfs/dbraw/zinc/45/92/11/457459211.db2.gz CYWFYYKUGKTVHC-UHFFFAOYSA-N 1 2 332.407 3.424 20 30 EGEDLO CC[N@@H+](Cc1ccc(CC#N)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000342692417 457459214 /nfs/dbraw/zinc/45/92/14/457459214.db2.gz CYWFYYKUGKTVHC-UHFFFAOYSA-N 1 2 332.407 3.424 20 30 EGEDLO Cc1cc(N2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c(C#N)c[nH+]1 ZINC000425224199 457464731 /nfs/dbraw/zinc/46/47/31/457464731.db2.gz NWTOLNZRUNVBMB-UHFFFAOYSA-N 1 2 344.422 3.431 20 30 EGEDLO Cc1cc(NCC2(c3ccccc3Cl)CCOCC2)c(C#N)c[nH+]1 ZINC000425233462 457467370 /nfs/dbraw/zinc/46/73/70/457467370.db2.gz XICGMMBHDMJFMS-UHFFFAOYSA-N 1 2 341.842 3.497 20 30 EGEDLO Cc1cc(N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c(C#N)c[nH+]1 ZINC000425243476 457469867 /nfs/dbraw/zinc/46/98/67/457469867.db2.gz FOMZNWLBPSISJY-RDJZCZTQSA-N 1 2 331.778 3.418 20 30 EGEDLO Cc1cc(N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c(C#N)c[nH+]1 ZINC000425243478 457469999 /nfs/dbraw/zinc/46/99/99/457469999.db2.gz FOMZNWLBPSISJY-WBVHZDCISA-N 1 2 331.778 3.418 20 30 EGEDLO C#CC[C@@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccccc1 ZINC000364354027 457574847 /nfs/dbraw/zinc/57/48/47/457574847.db2.gz NOJBBXQUPAAPSC-QZTJIDSGSA-N 1 2 343.423 3.398 20 30 EGEDLO N#Cc1ccc(C2=CC[N@H+](Cc3nc(-c4ccco4)no3)CC2)cc1 ZINC000374301821 457576906 /nfs/dbraw/zinc/57/69/06/457576906.db2.gz LMGOMZZMYKHQLX-UHFFFAOYSA-N 1 2 332.363 3.491 20 30 EGEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3nc(-c4ccco4)no3)CC2)cc1 ZINC000374301821 457576915 /nfs/dbraw/zinc/57/69/15/457576915.db2.gz LMGOMZZMYKHQLX-UHFFFAOYSA-N 1 2 332.363 3.491 20 30 EGEDLO COCc1cc(N2CCC(C#N)(COC)CC2)c2cc(F)ccc2[nH+]1 ZINC000357557346 457595155 /nfs/dbraw/zinc/59/51/55/457595155.db2.gz YZRBTGNZPIWXOC-UHFFFAOYSA-N 1 2 343.402 3.277 20 30 EGEDLO C=CCc1ccc(OCC(=O)Nc2c(C)cc[nH+]c2C)c(OC)c1 ZINC000425585778 457606065 /nfs/dbraw/zinc/60/60/65/457606065.db2.gz IOWHNFLRSVCIGJ-UHFFFAOYSA-N 1 2 326.396 3.453 20 30 EGEDLO C[C@H]1[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CCOC1(C)C ZINC000357656218 457643609 /nfs/dbraw/zinc/64/36/09/457643609.db2.gz IUDFOIHEKMESDU-OAHLLOKOSA-N 1 2 339.439 3.237 20 30 EGEDLO C[C@H]1[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CCOC1(C)C ZINC000357656218 457643611 /nfs/dbraw/zinc/64/36/11/457643611.db2.gz IUDFOIHEKMESDU-OAHLLOKOSA-N 1 2 339.439 3.237 20 30 EGEDLO CN(C)c1noc([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3C#N)C2)n1 ZINC000374635926 457677746 /nfs/dbraw/zinc/67/77/46/457677746.db2.gz JYNBSBYSUNUBME-CYBMUJFWSA-N 1 2 345.834 3.040 20 30 EGEDLO CN(C)c1noc([C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)n1 ZINC000374635926 457677749 /nfs/dbraw/zinc/67/77/49/457677749.db2.gz JYNBSBYSUNUBME-CYBMUJFWSA-N 1 2 345.834 3.040 20 30 EGEDLO O=C(c1ccoc1)N1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000361357334 457704759 /nfs/dbraw/zinc/70/47/59/457704759.db2.gz BZMJWEUIYAUKMW-UHFFFAOYSA-N 1 2 342.826 3.133 20 30 EGEDLO O=C(c1ccoc1)N1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000361357334 457704763 /nfs/dbraw/zinc/70/47/63/457704763.db2.gz BZMJWEUIYAUKMW-UHFFFAOYSA-N 1 2 342.826 3.133 20 30 EGEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000357924896 457733264 /nfs/dbraw/zinc/73/32/64/457733264.db2.gz OZBIWNXBBBLSRF-HZPDHXFCSA-N 1 2 327.472 3.367 20 30 EGEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000357924896 457733266 /nfs/dbraw/zinc/73/32/66/457733266.db2.gz OZBIWNXBBBLSRF-HZPDHXFCSA-N 1 2 327.472 3.367 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cn(C)nc2-c2cccs2)n1 ZINC000366027991 457788945 /nfs/dbraw/zinc/78/89/45/457788945.db2.gz SKAOICLJMNQYNB-UHFFFAOYSA-N 1 2 339.468 3.000 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cn(C)nc2-c2cccs2)n1 ZINC000366027991 457788952 /nfs/dbraw/zinc/78/89/52/457788952.db2.gz SKAOICLJMNQYNB-UHFFFAOYSA-N 1 2 339.468 3.000 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)c1ccccc1C#N ZINC000361816717 457882692 /nfs/dbraw/zinc/88/26/92/457882692.db2.gz ZDYFRICOTTYEOC-UHFFFAOYSA-N 1 2 340.333 3.158 20 30 EGEDLO CCc1c[nH+]ccc1NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000358258141 457892740 /nfs/dbraw/zinc/89/27/40/457892740.db2.gz DKCFDQXTYKXFSG-UHFFFAOYSA-N 1 2 347.374 3.362 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444708780 457951629 /nfs/dbraw/zinc/95/16/29/457951629.db2.gz PHFAZELXRMDGGI-LBPRGKRZSA-N 1 2 329.350 3.295 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444708780 457951632 /nfs/dbraw/zinc/95/16/32/457951632.db2.gz PHFAZELXRMDGGI-LBPRGKRZSA-N 1 2 329.350 3.295 20 30 EGEDLO C=CCCCS(=O)(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000427776861 458033957 /nfs/dbraw/zinc/03/39/57/458033957.db2.gz JHZCMVCDCKBMKC-UHFFFAOYSA-N 1 2 333.457 3.471 20 30 EGEDLO Cc1ccc(CN(C(=O)C[N@@H+](CCC#N)CCC(C)C)C2CC2)o1 ZINC000362172388 458039641 /nfs/dbraw/zinc/03/96/41/458039641.db2.gz BVNPMGXGIDWHJX-UHFFFAOYSA-N 1 2 331.460 3.341 20 30 EGEDLO Cc1ccc(CN(C(=O)C[N@H+](CCC#N)CCC(C)C)C2CC2)o1 ZINC000362172388 458039647 /nfs/dbraw/zinc/03/96/47/458039647.db2.gz BVNPMGXGIDWHJX-UHFFFAOYSA-N 1 2 331.460 3.341 20 30 EGEDLO C=C[C@@H](C)NC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000362380706 458135473 /nfs/dbraw/zinc/13/54/73/458135473.db2.gz REZBLYBSZFIFFD-IUODEOHRSA-N 1 2 339.842 3.317 20 30 EGEDLO C=C[C@@H](C)NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000362380706 458135479 /nfs/dbraw/zinc/13/54/79/458135479.db2.gz REZBLYBSZFIFFD-IUODEOHRSA-N 1 2 339.842 3.317 20 30 EGEDLO C[C@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)Cc2ccccc2O1 ZINC000429112935 458272219 /nfs/dbraw/zinc/27/22/19/458272219.db2.gz CMUBZHPBVRSASX-AWEZNQCLSA-N 1 2 346.390 3.391 20 30 EGEDLO C[C@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)Cc2ccccc2O1 ZINC000429112935 458272225 /nfs/dbraw/zinc/27/22/25/458272225.db2.gz CMUBZHPBVRSASX-AWEZNQCLSA-N 1 2 346.390 3.391 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(-c3ccccc3Cl)on2)C1=O ZINC000419289703 458380644 /nfs/dbraw/zinc/38/06/44/458380644.db2.gz JFCCPBJEXCMVSM-MRXNPFEDSA-N 1 2 345.830 3.214 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccccc3Cl)on2)C1=O ZINC000419289703 458380650 /nfs/dbraw/zinc/38/06/50/458380650.db2.gz JFCCPBJEXCMVSM-MRXNPFEDSA-N 1 2 345.830 3.214 20 30 EGEDLO CC(C)([NH2+]Cc1cnc2ccc(C#N)cn12)c1cc(C(F)(F)F)on1 ZINC000430143015 458410174 /nfs/dbraw/zinc/41/01/74/458410174.db2.gz WKWPCGCZOSEMSJ-UHFFFAOYSA-N 1 2 349.316 3.238 20 30 EGEDLO N#C[C@@H]1CCC[C@H]([NH2+]Cc2nc3cccc(Br)c3[nH]2)C1 ZINC000449770648 458430930 /nfs/dbraw/zinc/43/09/30/458430930.db2.gz DGOCJYXICAEXLG-MNOVXSKESA-N 1 2 333.233 3.497 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000459668742 458440947 /nfs/dbraw/zinc/44/09/47/458440947.db2.gz FNROYRQIOKYKRI-ACJLOTCBSA-N 1 2 333.863 3.141 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCc2cccc(Cl)c2C1 ZINC000459668742 458440952 /nfs/dbraw/zinc/44/09/52/458440952.db2.gz FNROYRQIOKYKRI-ACJLOTCBSA-N 1 2 333.863 3.141 20 30 EGEDLO COc1cccc([C@H](Nc2nccc(C)c2C#N)c2[nH+]ccn2C)c1 ZINC000373281268 458451675 /nfs/dbraw/zinc/45/16/75/458451675.db2.gz PUJCUNQNOXRNFI-KRWDZBQOSA-N 1 2 333.395 3.205 20 30 EGEDLO Cn1c2cc(F)ccc2[nH+]c1N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000431420372 458570058 /nfs/dbraw/zinc/57/00/58/458570058.db2.gz JDAYVRWJSACELL-SFHVURJKSA-N 1 2 336.370 3.162 20 30 EGEDLO C=CCOc1ccc(CNC(=O)N[C@H](C)c2[nH+]ccn2CC)cc1 ZINC000455039294 458583379 /nfs/dbraw/zinc/58/33/79/458583379.db2.gz GTVISCOVBLYKNU-CQSZACIVSA-N 1 2 328.416 3.028 20 30 EGEDLO C=CCC[C@H](CO)NC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000455109379 458585659 /nfs/dbraw/zinc/58/56/59/458585659.db2.gz PNGOGYLXDITMKV-JKSUJKDBSA-N 1 2 346.475 3.217 20 30 EGEDLO N#C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000455632980 458605868 /nfs/dbraw/zinc/60/58/68/458605868.db2.gz XKAPDMLWCGSOKH-BXUZGUMPSA-N 1 2 349.221 3.133 20 30 EGEDLO C=CC[NH+](CC=C)[C@@H](CNc1nc(C(F)(F)F)ns1)C(C)C ZINC000470045117 458609454 /nfs/dbraw/zinc/60/94/54/458609454.db2.gz KCNWQCRKAVEPEO-NSHDSACASA-N 1 2 334.411 3.089 20 30 EGEDLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)s1 ZINC000424336664 458618933 /nfs/dbraw/zinc/61/89/33/458618933.db2.gz YDCQFKDBVZBLJY-ZJUUUORDSA-N 1 2 333.388 3.352 20 30 EGEDLO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2cccc(C#N)c2F)CC1 ZINC000494149141 458634012 /nfs/dbraw/zinc/63/40/12/458634012.db2.gz WEZGWDSGVCBFPQ-UHFFFAOYSA-N 1 2 333.407 3.140 20 30 EGEDLO CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2cccc(C#N)c2F)CC1 ZINC000494149141 458634016 /nfs/dbraw/zinc/63/40/16/458634016.db2.gz WEZGWDSGVCBFPQ-UHFFFAOYSA-N 1 2 333.407 3.140 20 30 EGEDLO C=C[C@@H]1CCCCN1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000494232507 458643721 /nfs/dbraw/zinc/64/37/21/458643721.db2.gz AVUACKOCUCQBDS-GOSISDBHSA-N 1 2 338.455 3.224 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000424558978 458660863 /nfs/dbraw/zinc/66/08/63/458660863.db2.gz JVSRQKNPGIFFNI-UHFFFAOYSA-N 1 2 330.472 3.332 20 30 EGEDLO C=CCC(C)(C)CNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000432087778 458673967 /nfs/dbraw/zinc/67/39/67/458673967.db2.gz GAQMEAPVTWGWMA-HNNXBMFYSA-N 1 2 339.430 3.469 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2[C@@H](C)CO ZINC000456693924 458753899 /nfs/dbraw/zinc/75/38/99/458753899.db2.gz BITKIHUKPDOWLT-DJJJIMSYSA-N 1 2 345.443 3.065 20 30 EGEDLO C=CCOc1cccc(NC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000508620027 458760829 /nfs/dbraw/zinc/76/08/29/458760829.db2.gz ONDUCBHMSOORHF-FCEWJHQRSA-N 1 2 346.471 3.324 20 30 EGEDLO C=CCOc1cccc(NC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000508620027 458760832 /nfs/dbraw/zinc/76/08/32/458760832.db2.gz ONDUCBHMSOORHF-FCEWJHQRSA-N 1 2 346.471 3.324 20 30 EGEDLO C=CCN1CC[C@H](N(C)c2cc(C(C)(C)C)[nH+]c(C(C)C)n2)C1=O ZINC000513042895 458789834 /nfs/dbraw/zinc/78/98/34/458789834.db2.gz VEYASYPGWRBLQC-AWEZNQCLSA-N 1 2 330.476 3.121 20 30 EGEDLO CC[N@@H+](CC(=O)NCC1(c2ccccc2)CCCCC1)C[C@H](C)C#N ZINC000513415778 458794300 /nfs/dbraw/zinc/79/43/00/458794300.db2.gz LCRWGYNNSQQGOP-GOSISDBHSA-N 1 2 341.499 3.486 20 30 EGEDLO CC[N@H+](CC(=O)NCC1(c2ccccc2)CCCCC1)C[C@H](C)C#N ZINC000513415778 458794307 /nfs/dbraw/zinc/79/43/07/458794307.db2.gz LCRWGYNNSQQGOP-GOSISDBHSA-N 1 2 341.499 3.486 20 30 EGEDLO C=CCCCCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000472843555 458810526 /nfs/dbraw/zinc/81/05/26/458810526.db2.gz ADHUQSABGJYKRX-IBGZPJMESA-N 1 2 345.487 3.024 20 30 EGEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000517070740 458825460 /nfs/dbraw/zinc/82/54/60/458825460.db2.gz SMEMDVHVPWWTMF-OAHLLOKOSA-N 1 2 344.352 3.367 20 30 EGEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000517070740 458825463 /nfs/dbraw/zinc/82/54/63/458825463.db2.gz SMEMDVHVPWWTMF-OAHLLOKOSA-N 1 2 344.352 3.367 20 30 EGEDLO COC(=O)C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CCCC1 ZINC000474241753 458871532 /nfs/dbraw/zinc/87/15/32/458871532.db2.gz XNLLBAIXSZQLQD-UHFFFAOYSA-N 1 2 339.357 3.475 20 30 EGEDLO COC(=O)C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CCCC1 ZINC000474241753 458871533 /nfs/dbraw/zinc/87/15/33/458871533.db2.gz XNLLBAIXSZQLQD-UHFFFAOYSA-N 1 2 339.357 3.475 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]Cc1csc(-c2cccc(C(=O)OC)c2)n1 ZINC000566569801 458962547 /nfs/dbraw/zinc/96/25/47/458962547.db2.gz FERXQHMUUDKAJC-AWEZNQCLSA-N 1 2 329.425 3.379 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)C2(C#N)CC(C)C2)CC1 ZINC000531822032 458984888 /nfs/dbraw/zinc/98/48/88/458984888.db2.gz DEGWRLBWDNBKBW-HVEKOLDVSA-N 1 2 345.874 3.485 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000566718426 458988521 /nfs/dbraw/zinc/98/85/21/458988521.db2.gz QTCISWQMIKFCPA-ZDUSSCGKSA-N 1 2 339.443 3.038 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000566718426 458988527 /nfs/dbraw/zinc/98/85/27/458988527.db2.gz QTCISWQMIKFCPA-ZDUSSCGKSA-N 1 2 339.443 3.038 20 30 EGEDLO COc1cc(CN2CCc3c([nH+]cn3-c3ccccc3)C2)ccc1C#N ZINC000442845082 459044623 /nfs/dbraw/zinc/04/46/23/459044623.db2.gz MPEIGQKLINHZJI-UHFFFAOYSA-N 1 2 344.418 3.311 20 30 EGEDLO CC1CC(C#N)(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000532326973 459067306 /nfs/dbraw/zinc/06/73/06/459067306.db2.gz IBPAYBBFFXUTHK-UHFFFAOYSA-N 1 2 326.444 3.018 20 30 EGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cccc(O)c2Cl)CC1 ZINC000590366257 459120730 /nfs/dbraw/zinc/12/07/30/459120730.db2.gz XBSIHTGVBFSBDN-UHFFFAOYSA-N 1 2 327.815 3.498 20 30 EGEDLO CCc1ccc([C@@H](C#N)NC(=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000558286257 459145183 /nfs/dbraw/zinc/14/51/83/459145183.db2.gz RJKQBQIMLSMCQV-GOSISDBHSA-N 1 2 332.407 3.129 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000496330342 459153828 /nfs/dbraw/zinc/15/38/28/459153828.db2.gz PYMIXWMGYBHJPK-LJQANCHMSA-N 1 2 347.434 3.434 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000496330342 459153834 /nfs/dbraw/zinc/15/38/34/459153834.db2.gz PYMIXWMGYBHJPK-LJQANCHMSA-N 1 2 347.434 3.434 20 30 EGEDLO C=CCn1c(CC)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000558674970 459194208 /nfs/dbraw/zinc/19/42/08/459194208.db2.gz STKSAOYLPYZSET-UHFFFAOYSA-N 1 2 345.878 3.002 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1(C)C ZINC000590939935 459276601 /nfs/dbraw/zinc/27/66/01/459276601.db2.gz RPOYEONDFJBUEO-SJORKVTESA-N 1 2 349.438 3.072 20 30 EGEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1(C)C ZINC000591083935 459310835 /nfs/dbraw/zinc/31/08/35/459310835.db2.gz XLIIILVCHKKADE-GVDBMIGSSA-N 1 2 334.423 3.005 20 30 EGEDLO C=C(C)COc1cc(C[N@H+]2CC[C@@H](C)C[C@@H]2C(=O)OC)ccc1OC ZINC000482489181 459311188 /nfs/dbraw/zinc/31/11/88/459311188.db2.gz SWLRETSPFOINON-NVXWUHKLSA-N 1 2 347.455 3.424 20 30 EGEDLO C=C(C)COc1cc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(=O)OC)ccc1OC ZINC000482489181 459311191 /nfs/dbraw/zinc/31/11/91/459311191.db2.gz SWLRETSPFOINON-NVXWUHKLSA-N 1 2 347.455 3.424 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000568633192 459319328 /nfs/dbraw/zinc/31/93/28/459319328.db2.gz CRQWFSNYKWXAMB-XEZPLFJOSA-N 1 2 340.254 3.057 20 30 EGEDLO CC#CCCNC(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000483429880 459369384 /nfs/dbraw/zinc/36/93/84/459369384.db2.gz HKJOLWTVXVRFPS-HNNXBMFYSA-N 1 2 333.863 3.142 20 30 EGEDLO CC#CCCNC(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000483429881 459370330 /nfs/dbraw/zinc/37/03/30/459370330.db2.gz HKJOLWTVXVRFPS-OAHLLOKOSA-N 1 2 333.863 3.142 20 30 EGEDLO Cc1cc(C)cc(OCc2noc(C[N@@H+]3CCC[C@@H](CC#N)C3)n2)c1 ZINC000595620820 459372335 /nfs/dbraw/zinc/37/23/35/459372335.db2.gz RDWGFECMWLFWSV-INIZCTEOSA-N 1 2 340.427 3.391 20 30 EGEDLO Cc1cc(C)cc(OCc2noc(C[N@H+]3CCC[C@@H](CC#N)C3)n2)c1 ZINC000595620820 459372339 /nfs/dbraw/zinc/37/23/39/459372339.db2.gz RDWGFECMWLFWSV-INIZCTEOSA-N 1 2 340.427 3.391 20 30 EGEDLO C=CCOc1cccc(C[NH+]2CCN(CC(F)(F)C(F)F)CC2)c1 ZINC000539826942 459377887 /nfs/dbraw/zinc/37/78/87/459377887.db2.gz LVONJVGICPGCJV-UHFFFAOYSA-N 1 2 346.368 3.269 20 30 EGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000560848935 459400733 /nfs/dbraw/zinc/40/07/33/459400733.db2.gz JMGVZUYUHVIYSQ-ZWKOTPCHSA-N 1 2 338.455 3.106 20 30 EGEDLO CC[C@H]([NH2+]Cc1ccc(C#N)cc1OC)c1nnc2n1CCCCC2 ZINC000595800264 459446020 /nfs/dbraw/zinc/44/60/20/459446020.db2.gz QRJXKNZYMXXQEE-INIZCTEOSA-N 1 2 339.443 3.126 20 30 EGEDLO Cc1cc(NC2CCN(c3nc4ccccc4s3)CC2)c(C#N)c[nH+]1 ZINC000591818781 459446487 /nfs/dbraw/zinc/44/64/87/459446487.db2.gz BHJLBOGCHQBAJE-UHFFFAOYSA-N 1 2 349.463 3.374 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000497148433 459460939 /nfs/dbraw/zinc/46/09/39/459460939.db2.gz HEGUGDHCFSRZDV-IBGZPJMESA-N 1 2 347.434 3.434 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000497148433 459460942 /nfs/dbraw/zinc/46/09/42/459460942.db2.gz HEGUGDHCFSRZDV-IBGZPJMESA-N 1 2 347.434 3.434 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000569619888 459482821 /nfs/dbraw/zinc/48/28/21/459482821.db2.gz WNEUKNPWUMXONA-ZDUSSCGKSA-N 1 2 332.404 3.170 20 30 EGEDLO N#Cc1nc(NCc2cc[nH+]c(N3CCCCCC3)c2)sc1Cl ZINC000596121033 459527449 /nfs/dbraw/zinc/52/74/49/459527449.db2.gz JHGYAFHOHMMETH-UHFFFAOYSA-N 1 2 347.875 3.478 20 30 EGEDLO Cc1ccc2ncc(C#N)c(NCc3ccc(N4CCCC4)[nH+]c3)c2c1 ZINC000487932811 459535190 /nfs/dbraw/zinc/53/51/90/459535190.db2.gz SQTVSFGAHMQFQC-UHFFFAOYSA-N 1 2 343.434 3.444 20 30 EGEDLO C=CCn1cccc1C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000488573127 459546771 /nfs/dbraw/zinc/54/67/71/459546771.db2.gz AYUDQBJOJMVACG-POHAHGRESA-N 1 2 335.451 3.145 20 30 EGEDLO C#C[C@@H](CCC)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000491193283 459605033 /nfs/dbraw/zinc/60/50/33/459605033.db2.gz XNJVZSDJALLQAN-JZXOWHBKSA-N 1 2 343.471 3.219 20 30 EGEDLO C#C[C@@H](CCC)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000491193283 459605040 /nfs/dbraw/zinc/60/50/40/459605040.db2.gz XNJVZSDJALLQAN-JZXOWHBKSA-N 1 2 343.471 3.219 20 30 EGEDLO C#C[C@H]([NH2+]Cc1cc(OC)c(OC)cc1OC)c1ccc(F)cc1 ZINC000491474995 459629328 /nfs/dbraw/zinc/62/93/28/459629328.db2.gz RRIFASYTEXLOHV-INIZCTEOSA-N 1 2 329.371 3.316 20 30 EGEDLO N#Cc1ccncc1N1CC[NH+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000573157357 459635033 /nfs/dbraw/zinc/63/50/33/459635033.db2.gz XGCVTIKTOKCHCP-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO N#CC1(NC(=O)C[NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)CCC1 ZINC000527377112 459638540 /nfs/dbraw/zinc/63/85/40/459638540.db2.gz LPEWFFUKJUSKRZ-UHFFFAOYSA-N 1 2 345.393 3.006 20 30 EGEDLO C#C[C@H](NC(=O)NCc1c[nH+]ccc1OC)c1ccc(Cl)cc1F ZINC000491617490 459640254 /nfs/dbraw/zinc/64/02/54/459640254.db2.gz BJGAKVJWZQKQIE-HNNXBMFYSA-N 1 2 347.777 3.056 20 30 EGEDLO C#CC[N@@H+](Cc1nnc(-c2c(C)onc2-c2ccccc2)o1)C1CC1 ZINC000491774118 459670557 /nfs/dbraw/zinc/67/05/57/459670557.db2.gz SWRCZGDVWABVBY-UHFFFAOYSA-N 1 2 334.379 3.298 20 30 EGEDLO C#CC[N@H+](Cc1nnc(-c2c(C)onc2-c2ccccc2)o1)C1CC1 ZINC000491774118 459670563 /nfs/dbraw/zinc/67/05/63/459670563.db2.gz SWRCZGDVWABVBY-UHFFFAOYSA-N 1 2 334.379 3.298 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc3c(c2)OCCCCO3)n1 ZINC000491777714 459671466 /nfs/dbraw/zinc/67/14/66/459671466.db2.gz HIXDBHQQZJFQBM-UHFFFAOYSA-N 1 2 339.439 3.090 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc3c(c2)OCCCCO3)n1 ZINC000491777714 459671473 /nfs/dbraw/zinc/67/14/73/459671473.db2.gz HIXDBHQQZJFQBM-UHFFFAOYSA-N 1 2 339.439 3.090 20 30 EGEDLO Cc1cc(C#N)cnc1C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000573629894 459708319 /nfs/dbraw/zinc/70/83/19/459708319.db2.gz TVWWEENTCGNCQX-UHFFFAOYSA-N 1 2 331.379 3.278 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1csc2ccc(Cl)cc12 ZINC000563220320 459742150 /nfs/dbraw/zinc/74/21/50/459742150.db2.gz KWLNPCOPZRDSIS-MRXNPFEDSA-N 1 2 335.860 3.057 20 30 EGEDLO CC[C@@H](CC#N)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000563547707 459766508 /nfs/dbraw/zinc/76/65/08/459766508.db2.gz XSMVZEVLSYQSPI-SWLSCSKDSA-N 1 2 337.370 3.065 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000564802012 459776558 /nfs/dbraw/zinc/77/65/58/459776558.db2.gz JEHWWVWAZJPYSK-LIRRHRJNSA-N 1 2 347.528 3.473 20 30 EGEDLO Cc1ccc(CS(=O)(=O)Cc2ccc(C#N)cc2Cl)c(C)[nH+]1 ZINC000593205695 459807717 /nfs/dbraw/zinc/80/77/17/459807717.db2.gz MAZRTBQTXFZEGS-UHFFFAOYSA-N 1 2 334.828 3.339 20 30 EGEDLO CCC(C#N)(CC)C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000528846837 459815107 /nfs/dbraw/zinc/81/51/07/459815107.db2.gz SVWXBFIUOICNOD-UHFFFAOYSA-N 1 2 333.863 3.314 20 30 EGEDLO C[C@@H](C#N)C[NH2+]Cc1cc(Cl)ccc1I ZINC000597082153 459833259 /nfs/dbraw/zinc/83/32/59/459833259.db2.gz GOLQYVGHGOGZSX-QMMMGPOBSA-N 1 2 334.588 3.194 20 30 EGEDLO N#CCCC1CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000566285727 459835484 /nfs/dbraw/zinc/83/54/84/459835484.db2.gz BFKSKOAAJONJNF-SFHVURJKSA-N 1 2 336.439 3.474 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cn(-c3ccc(F)cc3Cl)nn2)C1 ZINC000597178497 459863236 /nfs/dbraw/zinc/86/32/36/459863236.db2.gz YSCSDJAEQDXQSS-LBPRGKRZSA-N 1 2 333.798 3.185 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cn(-c3ccc(F)cc3Cl)nn2)C1 ZINC000597178497 459863243 /nfs/dbraw/zinc/86/32/43/459863243.db2.gz YSCSDJAEQDXQSS-LBPRGKRZSA-N 1 2 333.798 3.185 20 30 EGEDLO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n1C ZINC000602481153 459959711 /nfs/dbraw/zinc/95/97/11/459959711.db2.gz FOUDOHVEVAGULB-ZWKOTPCHSA-N 1 2 337.423 3.083 20 30 EGEDLO COC(=O)c1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n1C ZINC000602481153 459959716 /nfs/dbraw/zinc/95/97/16/459959716.db2.gz FOUDOHVEVAGULB-ZWKOTPCHSA-N 1 2 337.423 3.083 20 30 EGEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000594009002 460054551 /nfs/dbraw/zinc/05/45/51/460054551.db2.gz VQWIGICUCKZPQE-OLZOCXBDSA-N 1 2 344.484 3.498 20 30 EGEDLO CCc1[nH+]c2cc(CNC(=O)c3cccc(C#N)n3)ccc2n1C1CC1 ZINC000589462710 460091295 /nfs/dbraw/zinc/09/12/95/460091295.db2.gz FKCFODSEMLSMOP-UHFFFAOYSA-N 1 2 345.406 3.130 20 30 EGEDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2cccnc2C#N)CC1 ZINC000589558081 460103544 /nfs/dbraw/zinc/10/35/44/460103544.db2.gz VWCPRAHVHSRCHJ-AWEZNQCLSA-N 1 2 349.463 3.446 20 30 EGEDLO CCc1cc(N[C@@H]2CCc3cc(C#N)ccc32)nc(-c2ccncc2)[nH+]1 ZINC000618693445 460130605 /nfs/dbraw/zinc/13/06/05/460130605.db2.gz GZNZGROTDHJPQY-LJQANCHMSA-N 1 2 341.418 3.494 20 30 EGEDLO Cc1ccc2[nH+]c(CNC(=O)N[C@H](C)c3cccc(C#N)c3)cn2c1 ZINC000610355033 460131946 /nfs/dbraw/zinc/13/19/46/460131946.db2.gz FPFXHDBIZCFZAC-CQSZACIVSA-N 1 2 333.395 3.075 20 30 EGEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000602868206 460165318 /nfs/dbraw/zinc/16/53/18/460165318.db2.gz HVGYLNJEZHFJDN-LIRRHRJNSA-N 1 2 339.464 3.114 20 30 EGEDLO Cc1ccc2[nH+]c(CNC(=O)N[C@@H]3CCc4cc(C#N)ccc43)cn2c1 ZINC000618805191 460183820 /nfs/dbraw/zinc/18/38/20/460183820.db2.gz DTIHIWXPEVOWPV-GOSISDBHSA-N 1 2 345.406 3.001 20 30 EGEDLO CN(C)c1[nH]c2ccc(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)cc2[nH+]1 ZINC000576683147 460192402 /nfs/dbraw/zinc/19/24/02/460192402.db2.gz KIUAKYPQJFDIRN-JKSUJKDBSA-N 1 2 345.406 3.243 20 30 EGEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000618854445 460198328 /nfs/dbraw/zinc/19/83/28/460198328.db2.gz WVINTBUUMHAQGE-IRXDYDNUSA-N 1 2 335.411 3.205 20 30 EGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc(F)cc(C#N)c2)c1C ZINC000603083284 460239217 /nfs/dbraw/zinc/23/92/17/460239217.db2.gz YLOPCHMASWHNQP-UHFFFAOYSA-N 1 2 342.374 3.382 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000599515608 460266169 /nfs/dbraw/zinc/26/61/69/460266169.db2.gz UYMYHLFQJHYSJS-DNVCBOLYSA-N 1 2 349.425 3.199 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000599515608 460266174 /nfs/dbraw/zinc/26/61/74/460266174.db2.gz UYMYHLFQJHYSJS-DNVCBOLYSA-N 1 2 349.425 3.199 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000599515607 460266454 /nfs/dbraw/zinc/26/64/54/460266454.db2.gz UYMYHLFQJHYSJS-BEFAXECRSA-N 1 2 349.425 3.199 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000599515607 460266459 /nfs/dbraw/zinc/26/64/59/460266459.db2.gz UYMYHLFQJHYSJS-BEFAXECRSA-N 1 2 349.425 3.199 20 30 EGEDLO COCc1cc(C#N)ccc1N1CC[NH+]([C@H](C)c2nccs2)CC1 ZINC000603341512 460287112 /nfs/dbraw/zinc/28/71/12/460287112.db2.gz DZXVUFMCJHLOBQ-CQSZACIVSA-N 1 2 342.468 3.044 20 30 EGEDLO N#CCCN1CC[NH+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000611175184 460301363 /nfs/dbraw/zinc/30/13/63/460301363.db2.gz VDKQRBGSKHRELA-UHFFFAOYSA-N 1 2 330.819 3.026 20 30 EGEDLO C=CCC[C@@H](C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000615535446 460343165 /nfs/dbraw/zinc/34/31/65/460343165.db2.gz BRQMSKWRSDNFAZ-VQTJNVASSA-N 1 2 342.483 3.060 20 30 EGEDLO N#C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1c(Cl)cccc1Cl ZINC000615756695 460386791 /nfs/dbraw/zinc/38/67/91/460386791.db2.gz WXKIRPQCXAYJPY-GWCFXTLKSA-N 1 2 349.221 3.133 20 30 EGEDLO CCc1noc(C)c1C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551601 460396056 /nfs/dbraw/zinc/39/60/56/460396056.db2.gz RUIDGERECMGNDX-LJQANCHMSA-N 1 2 342.418 3.067 20 30 EGEDLO C=C[C@H](C(=O)OC)[N@H+](C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1 ZINC000619716372 460421206 /nfs/dbraw/zinc/42/12/06/460421206.db2.gz NZWZMSFPVXCTIN-CQSZACIVSA-N 1 2 345.361 3.404 20 30 EGEDLO C=C[C@H](C(=O)OC)[N@@H+](C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1 ZINC000619716372 460421209 /nfs/dbraw/zinc/42/12/09/460421209.db2.gz NZWZMSFPVXCTIN-CQSZACIVSA-N 1 2 345.361 3.404 20 30 EGEDLO C=CC[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000660300823 461696366 /nfs/dbraw/zinc/69/63/66/461696366.db2.gz VVDJLHAYODTHFZ-MRXNPFEDSA-N 1 2 328.460 3.180 20 30 EGEDLO C=CCCn1cc(C[NH+]2CCC(Oc3ccc(C)cc3)CC2)nn1 ZINC000653557417 461720192 /nfs/dbraw/zinc/72/01/92/461720192.db2.gz UKBXDLVHKLMIKJ-UHFFFAOYSA-N 1 2 326.444 3.206 20 30 EGEDLO COCC#CC[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000644713787 462047750 /nfs/dbraw/zinc/04/77/50/462047750.db2.gz KHTZUCZXFRLHFK-XJKSGUPXSA-N 1 2 327.346 3.117 20 30 EGEDLO COCC#CC[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000644713787 462047758 /nfs/dbraw/zinc/04/77/58/462047758.db2.gz KHTZUCZXFRLHFK-XJKSGUPXSA-N 1 2 327.346 3.117 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)[C@H](C)COC ZINC000661244474 462168756 /nfs/dbraw/zinc/16/87/56/462168756.db2.gz UWRFZUPVCXCNRZ-GFCCVEGCSA-N 1 2 330.350 3.167 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)[C@H](C)COC ZINC000661244474 462168761 /nfs/dbraw/zinc/16/87/61/462168761.db2.gz UWRFZUPVCXCNRZ-GFCCVEGCSA-N 1 2 330.350 3.167 20 30 EGEDLO C=CC[C@@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000661382163 462225947 /nfs/dbraw/zinc/22/59/47/462225947.db2.gz TUABDWHJPJBUDG-IUODEOHRSA-N 1 2 337.261 3.264 20 30 EGEDLO C=CC[C@@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000661382163 462225953 /nfs/dbraw/zinc/22/59/53/462225953.db2.gz TUABDWHJPJBUDG-IUODEOHRSA-N 1 2 337.261 3.264 20 30 EGEDLO C=CC[C@H](C(=O)N1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000187824894 527120805 /nfs/dbraw/zinc/12/08/05/527120805.db2.gz KDZUSDJSJWEORG-FQEVSTJZSA-N 1 2 335.451 3.086 20 30 EGEDLO CCc1nc(C)c(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)s1 ZINC000329111695 547490711 /nfs/dbraw/zinc/49/07/11/547490711.db2.gz GUTXKYKVCRJJLU-CQSZACIVSA-N 1 2 348.472 3.220 20 30 EGEDLO CC1(C)C[C@@H](NC(=O)c2cccc(C[NH+]3CCOCC3)c2)C(C)(C)O1 ZINC000329243727 547492734 /nfs/dbraw/zinc/49/27/34/547492734.db2.gz PGTCSTPPCJGYBI-QGZVFWFLSA-N 1 2 346.471 3.170 20 30 EGEDLO CC[C@@H]1OCCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000330299462 547518640 /nfs/dbraw/zinc/51/86/40/547518640.db2.gz IAGCFQPLGHZLJA-MSOLQXFVSA-N 1 2 332.444 3.312 20 30 EGEDLO O=[N+]([O-])c1ccc(N[NH+]=Cc2cnc(N3CCCC3)nc2)c(Cl)c1 ZINC000727649227 574680870 /nfs/dbraw/zinc/68/08/70/574680870.db2.gz BPAKWZVNAYSACS-UHFFFAOYSA-N 1 2 346.778 3.084 20 30 EGEDLO CC(=O)Nc1cccc(C(=O)/C=C/c2[nH+]ccn2CC(F)(F)F)c1 ZINC000727744362 574688265 /nfs/dbraw/zinc/68/82/65/574688265.db2.gz DMUNYMPUPVSREF-AATRIKPKSA-N 1 2 337.301 3.300 20 30 EGEDLO C#CCOc1ccccc1CNc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000734145270 575441762 /nfs/dbraw/zinc/44/17/62/575441762.db2.gz LPODSDKZUSCZJZ-UHFFFAOYSA-N 1 2 344.418 3.201 20 30 EGEDLO C#CCCOc1ccc(C[NH2+][C@@H](CO)c2c(F)cccc2F)cc1 ZINC000734847660 575560220 /nfs/dbraw/zinc/56/02/20/575560220.db2.gz SWQBIVJJGFNAEV-SFHVURJKSA-N 1 2 331.362 3.190 20 30 EGEDLO C=CCCCCC[N@@H+](C)Cn1ncn(-c2ccc(OC)nc2)c1=S ZINC000739887406 576514982 /nfs/dbraw/zinc/51/49/82/576514982.db2.gz PREGPSUWMJHJJY-UHFFFAOYSA-N 1 2 347.488 3.443 20 30 EGEDLO C=CCCCCC[N@H+](C)Cn1ncn(-c2ccc(OC)nc2)c1=S ZINC000739887406 576514983 /nfs/dbraw/zinc/51/49/83/576514983.db2.gz PREGPSUWMJHJJY-UHFFFAOYSA-N 1 2 347.488 3.443 20 30 EGEDLO CC[C@H]1C[N@H+](CCC#N)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC000740888314 576634340 /nfs/dbraw/zinc/63/43/40/576634340.db2.gz PMPPLNRDNWPHPR-ROUUACIJSA-N 1 2 329.444 3.412 20 30 EGEDLO CC[C@H]1C[N@@H+](CCC#N)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC000740888314 576634342 /nfs/dbraw/zinc/63/43/42/576634342.db2.gz PMPPLNRDNWPHPR-ROUUACIJSA-N 1 2 329.444 3.412 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2CC[C@@H](c3ccccc3)[C@H](C)C2)c1=S ZINC000742165868 576754194 /nfs/dbraw/zinc/75/41/94/576754194.db2.gz LWUDNZHNCBOSKP-GDBMZVCRSA-N 1 2 329.473 3.078 20 30 EGEDLO C=CCn1nnn(C[N@H+]2CC[C@@H](c3ccccc3)[C@H](C)C2)c1=S ZINC000742165868 576754196 /nfs/dbraw/zinc/75/41/96/576754196.db2.gz LWUDNZHNCBOSKP-GDBMZVCRSA-N 1 2 329.473 3.078 20 30 EGEDLO C#CCC[NH+]1CCN(C(=O)CSc2ccc(C(C)C)cc2)CC1 ZINC000744364639 576826536 /nfs/dbraw/zinc/82/65/36/576826536.db2.gz VWODHTKLVPZSLH-UHFFFAOYSA-N 1 2 330.497 3.070 20 30 EGEDLO C=CCC1(O)CC[NH+](Cc2cc(Br)ccc2F)CC1 ZINC000717449231 1298301752 /nfs/dbraw/zinc/30/17/52/1298301752.db2.gz QWGSIFFEABMNBQ-UHFFFAOYSA-N 1 2 328.225 3.491 20 30 EGEDLO Cc1cccc(NC(=O)CO[NH+]=C(N)c2ccc(F)c(C)c2)c1C ZINC000063458112 1292010388 /nfs/dbraw/zinc/01/03/88/1292010388.db2.gz GHCZYBLNDUJWMX-UHFFFAOYSA-N 1 2 329.375 3.027 20 30 EGEDLO COc1ccc(O)c(/C=N/Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000067943212 1292179066 /nfs/dbraw/zinc/17/90/66/1292179066.db2.gz MSFLYQBTFRTJFW-SRZZPIQSSA-N 1 2 325.343 3.345 20 30 EGEDLO N#Cc1ccccc1/C=C/C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000073150739 1292308728 /nfs/dbraw/zinc/30/87/28/1292308728.db2.gz VQZGXUZHJUBCBD-JXMROGBWSA-N 1 2 347.418 3.042 20 30 EGEDLO N#Cc1ccccc1/C=C/C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000079256105 1292551639 /nfs/dbraw/zinc/55/16/39/1292551639.db2.gz ZYWXPCRYAHGYEC-CMDGGOBGSA-N 1 2 346.434 3.273 20 30 EGEDLO Cc1nsc(N2CC[NH+](C[C@@]3(C)CC3(Cl)Cl)CC2)c1C#N ZINC000829952699 1292645663 /nfs/dbraw/zinc/64/56/63/1292645663.db2.gz OCNBADDMWPQBHP-CYBMUJFWSA-N 1 2 345.299 3.029 20 30 EGEDLO Fc1ccccc1-c1ncc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)s1 ZINC000834966746 1293181968 /nfs/dbraw/zinc/18/19/68/1293181968.db2.gz RYIZYUBAWDPGKP-GJZGRUSLSA-N 1 2 343.431 3.143 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000835403707 1293283763 /nfs/dbraw/zinc/28/37/63/1293283763.db2.gz NCLTYIBJKQDEST-MSOLQXFVSA-N 1 2 338.407 3.383 20 30 EGEDLO COc1ccc(CC(N)=[NH+]OCc2cccc(F)c2F)cc1OC ZINC000126055314 1293523962 /nfs/dbraw/zinc/52/39/62/1293523962.db2.gz KTAGFPHCHVJJJN-UHFFFAOYSA-N 1 2 336.338 3.014 20 30 EGEDLO COc1cccc(/C=[NH+]/C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1O ZINC000131204218 1293682661 /nfs/dbraw/zinc/68/26/61/1293682661.db2.gz QUJYZMMEFFDTSS-PVGUKEHMSA-N 1 2 348.443 3.467 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000870157430 1295709533 /nfs/dbraw/zinc/70/95/33/1295709533.db2.gz XMBCVKKASFVCHF-UHFFFAOYSA-N 1 2 328.456 3.108 20 30 EGEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2scnc2C2CC2)C1 ZINC000328948481 1297259232 /nfs/dbraw/zinc/25/92/32/1297259232.db2.gz WEDATVMBLWEZSN-LBPRGKRZSA-N 1 2 345.472 3.254 20 30 EGEDLO C#CCOc1ccccc1C[NH2+]Cc1ncc(Br)s1 ZINC000714944086 1298275118 /nfs/dbraw/zinc/27/51/18/1298275118.db2.gz AGHXRPUJGBCINX-UHFFFAOYSA-N 1 2 337.242 3.207 20 30 EGEDLO C#CC[N@@H+](CC)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000746456937 1298590835 /nfs/dbraw/zinc/59/08/35/1298590835.db2.gz SQGZTZVKMZVMGQ-UHFFFAOYSA-N 1 2 340.471 3.375 20 30 EGEDLO C#CC[N@H+](CC)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000746456937 1298590842 /nfs/dbraw/zinc/59/08/42/1298590842.db2.gz SQGZTZVKMZVMGQ-UHFFFAOYSA-N 1 2 340.471 3.375 20 30 EGEDLO N#Cc1ccc(F)c(COC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000748800035 1299082277 /nfs/dbraw/zinc/08/22/77/1299082277.db2.gz JJYDKMKXVHWPFT-UHFFFAOYSA-N 1 2 335.338 3.299 20 30 EGEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@H]2CCCC2(C)C)CC1=O ZINC000749935738 1299302864 /nfs/dbraw/zinc/30/28/64/1299302864.db2.gz UGCVSOHOWASFJO-INIZCTEOSA-N 1 2 338.455 3.225 20 30 EGEDLO CC(=O)[C@](C#N)(CC[N@@H+](C)Cc1cnc(C)s1)c1ccccc1 ZINC000877972799 1299677409 /nfs/dbraw/zinc/67/74/09/1299677409.db2.gz OMMURLKMCSXYGB-GOSISDBHSA-N 1 2 327.453 3.324 20 30 EGEDLO CC(=O)[C@](C#N)(CC[N@H+](C)Cc1cnc(C)s1)c1ccccc1 ZINC000877972799 1299677416 /nfs/dbraw/zinc/67/74/16/1299677416.db2.gz OMMURLKMCSXYGB-GOSISDBHSA-N 1 2 327.453 3.324 20 30 EGEDLO C#C[C@](C)(CC)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000878301152 1299903536 /nfs/dbraw/zinc/90/35/36/1299903536.db2.gz LBCPUWPKBMKXEP-GQIGUUNPSA-N 1 2 343.471 3.219 20 30 EGEDLO C#C[C@](C)(CC)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000878301152 1299903547 /nfs/dbraw/zinc/90/35/47/1299903547.db2.gz LBCPUWPKBMKXEP-GQIGUUNPSA-N 1 2 343.471 3.219 20 30 EGEDLO C#CC[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000757618830 1300695099 /nfs/dbraw/zinc/69/50/99/1300695099.db2.gz ZFIIJDIHTTVKHP-HXUWFJFHSA-N 1 2 329.403 3.426 20 30 EGEDLO Cc1ccn(C[N@H+]2CCS[C@@H](C)[C@H]2c2ccccc2)c(=O)c1C#N ZINC000758222201 1300820995 /nfs/dbraw/zinc/82/09/95/1300820995.db2.gz ICTWCIPNTQFRMC-YJBOKZPZSA-N 1 2 339.464 3.165 20 30 EGEDLO Cc1ccn(C[N@@H+]2CCS[C@@H](C)[C@H]2c2ccccc2)c(=O)c1C#N ZINC000758222201 1300821006 /nfs/dbraw/zinc/82/10/06/1300821006.db2.gz ICTWCIPNTQFRMC-YJBOKZPZSA-N 1 2 339.464 3.165 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](CCCC)C2CC2)c1=S ZINC000764882477 1302157774 /nfs/dbraw/zinc/15/77/74/1302157774.db2.gz HVVMFDROCMLPGR-UHFFFAOYSA-N 1 2 344.488 3.279 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](CCCC)C2CC2)c1=S ZINC000764882477 1302157778 /nfs/dbraw/zinc/15/77/78/1302157778.db2.gz HVVMFDROCMLPGR-UHFFFAOYSA-N 1 2 344.488 3.279 20 30 EGEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@H]2C2CC2)nc1-c1ccccn1 ZINC000764971973 1302177891 /nfs/dbraw/zinc/17/78/91/1302177891.db2.gz QAVBYVFRWQFIGM-INIZCTEOSA-N 1 2 341.484 3.494 20 30 EGEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@H]2C2CC2)nc1-c1ccccn1 ZINC000764971973 1302177899 /nfs/dbraw/zinc/17/78/99/1302177899.db2.gz QAVBYVFRWQFIGM-INIZCTEOSA-N 1 2 341.484 3.494 20 30 EGEDLO N#Cc1c2c(cn(C[N@@H+]3CCC[C@@H]3c3ccsc3)c1=O)CCC2 ZINC000766612806 1302487022 /nfs/dbraw/zinc/48/70/22/1302487022.db2.gz QLPCWTXQWBYLSH-QGZVFWFLSA-N 1 2 325.437 3.065 20 30 EGEDLO N#Cc1c2c(cn(C[N@H+]3CCC[C@@H]3c3ccsc3)c1=O)CCC2 ZINC000766612806 1302487025 /nfs/dbraw/zinc/48/70/25/1302487025.db2.gz QLPCWTXQWBYLSH-QGZVFWFLSA-N 1 2 325.437 3.065 20 30 EGEDLO NC(=[NH+]OC[C@H]1CCCOC1)c1ccc(OCc2ccccc2)cc1 ZINC000769876955 1303186885 /nfs/dbraw/zinc/18/68/85/1303186885.db2.gz IMZBOSXHKQYFQD-KRWDZBQOSA-N 1 2 340.423 3.329 20 30 EGEDLO C=CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2c(C)cccc2Cl)CC1 ZINC000886780738 1303596697 /nfs/dbraw/zinc/59/66/97/1303596697.db2.gz YGWBGZBGEWLUOQ-AWEZNQCLSA-N 1 2 336.863 3.378 20 30 EGEDLO Cc1cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)ccc1C#N ZINC000774865820 1303868309 /nfs/dbraw/zinc/86/83/09/1303868309.db2.gz YDVYGPPURQLEPD-OAHLLOKOSA-N 1 2 329.444 3.308 20 30 EGEDLO Cc1cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)ccc1C#N ZINC000774865820 1303868312 /nfs/dbraw/zinc/86/83/12/1303868312.db2.gz YDVYGPPURQLEPD-OAHLLOKOSA-N 1 2 329.444 3.308 20 30 EGEDLO C#C[C@H]([NH2+][C@H](C)c1nnn(-c2cccc(Cl)c2)c1C)[C@H]1CCCO1 ZINC000775572538 1303987582 /nfs/dbraw/zinc/98/75/82/1303987582.db2.gz BLNIZURWNOMICE-OAUYIBNBSA-N 1 2 344.846 3.061 20 30 EGEDLO Cn1cnc2cc(C[N@@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)ccc21 ZINC000775744441 1304026656 /nfs/dbraw/zinc/02/66/56/1304026656.db2.gz LLVJQVKIWZSSCE-HXUWFJFHSA-N 1 2 332.407 3.018 20 30 EGEDLO Cn1cnc2cc(C[N@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)ccc21 ZINC000775744441 1304026661 /nfs/dbraw/zinc/02/66/61/1304026661.db2.gz LLVJQVKIWZSSCE-HXUWFJFHSA-N 1 2 332.407 3.018 20 30 EGEDLO C#CCOc1ccccc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000775939562 1304066357 /nfs/dbraw/zinc/06/63/57/1304066357.db2.gz FUXWFEOFUHXMQZ-UHFFFAOYSA-N 1 2 331.375 3.196 20 30 EGEDLO CCC(=[NH+]Nc1cccc(S(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000776262963 1304123349 /nfs/dbraw/zinc/12/33/49/1304123349.db2.gz NJHCESYFWXYKJB-UHFFFAOYSA-N 1 2 345.468 3.382 20 30 EGEDLO C[C@H]1[C@H](C)[N@H+](Cc2cc(C#N)cs2)CCN1C(=O)OC(C)(C)C ZINC000776692431 1304183700 /nfs/dbraw/zinc/18/37/00/1304183700.db2.gz DALVNKITDQEDAD-STQMWFEESA-N 1 2 335.473 3.449 20 30 EGEDLO C[C@H]1[C@H](C)[N@@H+](Cc2cc(C#N)cs2)CCN1C(=O)OC(C)(C)C ZINC000776692431 1304183703 /nfs/dbraw/zinc/18/37/03/1304183703.db2.gz DALVNKITDQEDAD-STQMWFEESA-N 1 2 335.473 3.449 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000778584316 1304471195 /nfs/dbraw/zinc/47/11/95/1304471195.db2.gz CEPDZIJEYKDEGM-QGZVFWFLSA-N 1 2 342.414 3.423 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000778584316 1304471201 /nfs/dbraw/zinc/47/12/01/1304471201.db2.gz CEPDZIJEYKDEGM-QGZVFWFLSA-N 1 2 342.414 3.423 20 30 EGEDLO C[C@H]1C[NH+]=C(NN=Cc2c(Cl)cccc2Oc2ccccc2)N1 ZINC000779791539 1304605131 /nfs/dbraw/zinc/60/51/31/1304605131.db2.gz KEPUTIALGZMSDS-LBPRGKRZSA-N 1 2 328.803 3.404 20 30 EGEDLO Cc1nn(C)c(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1Cl ZINC000891722477 1305147350 /nfs/dbraw/zinc/14/73/50/1305147350.db2.gz ZWYDNOVHSBQSCA-UHFFFAOYSA-N 1 2 344.846 3.297 20 30 EGEDLO C=CCn1nnn(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccc(OC)c2)c1=S ZINC000784009133 1305175442 /nfs/dbraw/zinc/17/54/42/1305175442.db2.gz KHBMTDPSPFTEDW-XJKSGUPXSA-N 1 2 345.472 3.044 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccc(OC)c2)c1=S ZINC000784009133 1305175445 /nfs/dbraw/zinc/17/54/45/1305175445.db2.gz KHBMTDPSPFTEDW-XJKSGUPXSA-N 1 2 345.472 3.044 20 30 EGEDLO COc1ccc(C(N)=[NH+]O[C@H](C)c2noc(-c3ccccc3)n2)cc1 ZINC000787905098 1305821828 /nfs/dbraw/zinc/82/18/28/1305821828.db2.gz HVKXNBGJYAOMLJ-GFCCVEGCSA-N 1 2 338.367 3.143 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788246175 1305906695 /nfs/dbraw/zinc/90/66/95/1305906695.db2.gz PTIDZXKCTSVDJK-HOCLYGCPSA-N 1 2 345.487 3.412 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788246175 1305906702 /nfs/dbraw/zinc/90/67/02/1305906702.db2.gz PTIDZXKCTSVDJK-HOCLYGCPSA-N 1 2 345.487 3.412 20 30 EGEDLO COCCN(C)c1ccc(C=[NH+]Nc2cccc3cnccc32)cn1 ZINC000790162125 1306271437 /nfs/dbraw/zinc/27/14/37/1306271437.db2.gz MZAUAUMBVGABCZ-UHFFFAOYSA-N 1 2 335.411 3.158 20 30 EGEDLO CC(=NNc1[nH+]ccn1C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000790303874 1306294730 /nfs/dbraw/zinc/29/47/30/1306294730.db2.gz YVCDGFIZBHEPDL-OAHLLOKOSA-N 1 2 346.406 3.343 20 30 EGEDLO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)c2nnc(C)[nH]2)cc1OC ZINC000894777029 1309064410 /nfs/dbraw/zinc/06/44/10/1309064410.db2.gz IBAVTYZEQOELAZ-SNVBAGLBSA-N 1 2 336.823 3.191 20 30 EGEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1cc(C#N)cc(Cl)n1 ZINC000792635124 1309200815 /nfs/dbraw/zinc/20/08/15/1309200815.db2.gz NMHDHGHSUYHLGN-UHFFFAOYSA-N 1 2 325.803 3.410 20 30 EGEDLO NC(=[NH+]OC[C@H]1CCCO1)c1ccc(OCc2ccccc2)cc1 ZINC000795204581 1309695686 /nfs/dbraw/zinc/69/56/86/1309695686.db2.gz CAXCCMNEAIQOTI-GOSISDBHSA-N 1 2 326.396 3.082 20 30 EGEDLO Cc1cc(C)cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 ZINC000798273729 1310332734 /nfs/dbraw/zinc/33/27/34/1310332734.db2.gz JGTISBSTTXYYFN-IAGOWNOFSA-N 1 2 329.444 3.152 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]C/C=C\c2ccc(F)cc2)C1 ZINC000798274636 1310333399 /nfs/dbraw/zinc/33/33/99/1310333399.db2.gz HUKMBVSJEJUOBB-XHRFTGCISA-N 1 2 345.418 3.188 20 30 EGEDLO Cc1cccc(C)c1C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000798274733 1310333452 /nfs/dbraw/zinc/33/34/52/1310333452.db2.gz JRCPQIFOTWLQFA-WBVHZDCISA-N 1 2 329.444 3.152 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccccc2C2CC2)[C@@H](C#N)C1 ZINC000798276136 1310333925 /nfs/dbraw/zinc/33/39/25/1310333925.db2.gz YPECXYKMHREPNP-WMZOPIPTSA-N 1 2 341.455 3.413 20 30 EGEDLO CCOc1ccc(C=[NH+]CCCONC(=O)OC(C)(C)C)c(O)c1 ZINC000899229987 1310989510 /nfs/dbraw/zinc/98/95/10/1310989510.db2.gz ATQDJLHCSBQHGS-PDGQHHTCSA-N 1 2 338.404 3.056 20 30 EGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C#Cc3cccs3)n2)C1 ZINC000825389217 1320334260 /nfs/dbraw/zinc/33/42/60/1320334260.db2.gz LDBOTDBNKGHVLQ-CYBMUJFWSA-N 1 2 345.493 3.427 20 30 EGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C#Cc3cccs3)n2)C1 ZINC000825389217 1320334263 /nfs/dbraw/zinc/33/42/63/1320334263.db2.gz LDBOTDBNKGHVLQ-CYBMUJFWSA-N 1 2 345.493 3.427 20 30 EGEDLO N#C[C@H]1CCC[C@H](OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000839040714 1320855129 /nfs/dbraw/zinc/85/51/29/1320855129.db2.gz AVMIRUSZYPRORX-JSGCOSHPSA-N 1 2 340.339 3.020 20 30 EGEDLO Cc1nc(C[NH+]2CCC(C(=O)O[C@H](C#N)C(C)(C)C)CC2)cs1 ZINC000805914382 1317438076 /nfs/dbraw/zinc/43/80/76/1317438076.db2.gz IQZPVLZJIMKULW-OAHLLOKOSA-N 1 2 335.473 3.145 20 30 EGEDLO N#CC1(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)CCC1 ZINC000807948415 1317603592 /nfs/dbraw/zinc/60/35/92/1317603592.db2.gz IBNRRDKNNDPTDA-CQSZACIVSA-N 1 2 326.444 3.125 20 30 EGEDLO N#CC1(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)CCC1 ZINC000807948415 1317603598 /nfs/dbraw/zinc/60/35/98/1317603598.db2.gz IBNRRDKNNDPTDA-CQSZACIVSA-N 1 2 326.444 3.125 20 30 EGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cccc(-n2ccnn2)c1 ZINC000807970096 1317605400 /nfs/dbraw/zinc/60/54/00/1317605400.db2.gz WBILTXHMBQULHZ-UHFFFAOYSA-N 1 2 328.379 3.074 20 30 EGEDLO N#C[C@@H](OC(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CCCCC1 ZINC000810711947 1318047248 /nfs/dbraw/zinc/04/72/48/1318047248.db2.gz UTDAXRKMLXGVMO-LJQANCHMSA-N 1 2 337.423 3.490 20 30 EGEDLO N#Cc1ccccc1C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C1CCC1 ZINC000960250001 1318430307 /nfs/dbraw/zinc/43/03/07/1318430307.db2.gz ZCIRJVYPZLEODD-NHCUHLMSSA-N 1 2 345.446 3.230 20 30 EGEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1c(F)cccc1Cl ZINC000960498359 1318608356 /nfs/dbraw/zinc/60/83/56/1318608356.db2.gz CRYMHZOZPTZJPI-CHWSQXEVSA-N 1 2 337.826 3.062 20 30 EGEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1c(F)cccc1Cl ZINC000960498359 1318608361 /nfs/dbraw/zinc/60/83/61/1318608361.db2.gz CRYMHZOZPTZJPI-CHWSQXEVSA-N 1 2 337.826 3.062 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ncc(C)o1 ZINC000960646785 1318767278 /nfs/dbraw/zinc/76/72/78/1318767278.db2.gz FUXQOYVCIJCNNW-AWEZNQCLSA-N 1 2 339.867 3.185 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ncc(C)o1 ZINC000960646785 1318767288 /nfs/dbraw/zinc/76/72/88/1318767288.db2.gz FUXQOYVCIJCNNW-AWEZNQCLSA-N 1 2 339.867 3.185 20 30 EGEDLO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC(C)(C)C#N ZINC000814670499 1318797700 /nfs/dbraw/zinc/79/77/00/1318797700.db2.gz WAMCQAVJNYUVKS-UHFFFAOYSA-N 1 2 326.194 3.339 20 30 EGEDLO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC(C)(C)C#N ZINC000814670499 1318797710 /nfs/dbraw/zinc/79/77/10/1318797710.db2.gz WAMCQAVJNYUVKS-UHFFFAOYSA-N 1 2 326.194 3.339 20 30 EGEDLO CCC1(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2cc(F)ccc2C#N)CC1 ZINC000960827248 1318952964 /nfs/dbraw/zinc/95/29/64/1318952964.db2.gz OJWGKYBTPLZILQ-GOSISDBHSA-N 1 2 343.446 3.310 20 30 EGEDLO CCC1(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2cc(F)ccc2C#N)CC1 ZINC000960827248 1318952970 /nfs/dbraw/zinc/95/29/70/1318952970.db2.gz OJWGKYBTPLZILQ-GOSISDBHSA-N 1 2 343.446 3.310 20 30 EGEDLO C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC000961367043 1319524320 /nfs/dbraw/zinc/52/43/20/1319524320.db2.gz LVVPQCVHIXSOIF-ZIAGYGMSSA-N 1 2 336.373 3.023 20 30 EGEDLO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC000961367043 1319524329 /nfs/dbraw/zinc/52/43/29/1319524329.db2.gz LVVPQCVHIXSOIF-ZIAGYGMSSA-N 1 2 336.373 3.023 20 30 EGEDLO C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)C1 ZINC000961367043 1319524343 /nfs/dbraw/zinc/52/43/43/1319524343.db2.gz LVVPQCVHIXSOIF-ZIAGYGMSSA-N 1 2 336.373 3.023 20 30 EGEDLO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)C1 ZINC000961367043 1319524348 /nfs/dbraw/zinc/52/43/48/1319524348.db2.gz LVVPQCVHIXSOIF-ZIAGYGMSSA-N 1 2 336.373 3.023 20 30 EGEDLO C[C@H]1CCCC[C@H]1NC(=S)NN=C1CCN(c2cccc[nH+]2)CC1 ZINC000915943762 1319568032 /nfs/dbraw/zinc/56/80/32/1319568032.db2.gz BGJMJSPKMYPSKJ-GOEBONIOSA-N 1 2 345.516 3.081 20 30 EGEDLO C=CC[N@H+](CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)C(C)C ZINC000917481653 1319819466 /nfs/dbraw/zinc/81/94/66/1319819466.db2.gz TWRGFXIDUOLWNF-UHFFFAOYSA-N 1 2 335.492 3.367 20 30 EGEDLO C=CC[N@@H+](CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)C(C)C ZINC000917481653 1319819475 /nfs/dbraw/zinc/81/94/75/1319819475.db2.gz TWRGFXIDUOLWNF-UHFFFAOYSA-N 1 2 335.492 3.367 20 30 EGEDLO C#C[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000820572263 1319914354 /nfs/dbraw/zinc/91/43/54/1319914354.db2.gz DOWOIPKXLZAQKS-HOCLYGCPSA-N 1 2 342.830 3.327 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC1CCN(C(=O)CC(C)C)CC1 ZINC000820639736 1319925976 /nfs/dbraw/zinc/92/59/76/1319925976.db2.gz LBMFADZHBZDOQJ-UHFFFAOYSA-N 1 2 343.471 3.323 20 30 EGEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000839601075 1320943886 /nfs/dbraw/zinc/94/38/86/1320943886.db2.gz JCGSZFSJRVWQJH-XLIONFOSSA-N 1 2 348.446 3.150 20 30 EGEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000839601075 1320943889 /nfs/dbraw/zinc/94/38/89/1320943889.db2.gz JCGSZFSJRVWQJH-XLIONFOSSA-N 1 2 348.446 3.150 20 30 EGEDLO N#CCOc1cccc(OC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000841343069 1321260659 /nfs/dbraw/zinc/26/06/59/1321260659.db2.gz UGCKOCWRVJEXDJ-LJQANCHMSA-N 1 2 336.391 3.159 20 30 EGEDLO N#CCOc1cccc(OC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000841343069 1321260664 /nfs/dbraw/zinc/26/06/64/1321260664.db2.gz UGCKOCWRVJEXDJ-LJQANCHMSA-N 1 2 336.391 3.159 20 30 EGEDLO C#CC1CC[NH+](Cn2[nH]c(/C=C\c3ccc(C)o3)nc2=S)CC1 ZINC000842633447 1321410213 /nfs/dbraw/zinc/41/02/13/1321410213.db2.gz HTTOOVBFXIDAPZ-SREVYHEPSA-N 1 2 328.441 3.315 20 30 EGEDLO N#CC[C@H](CC(=O)OCC1CN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000842887692 1321444492 /nfs/dbraw/zinc/44/44/92/1321444492.db2.gz UHFTVPFCWYNLHJ-GOSISDBHSA-N 1 2 335.407 3.149 20 30 EGEDLO C[C@H](CC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)n1cc[nH+]c1 ZINC000845450352 1321708744 /nfs/dbraw/zinc/70/87/44/1321708744.db2.gz IKHOWAXGUJKCNM-NEPJUHHUSA-N 1 2 343.337 3.455 20 30 EGEDLO C=C(C)CONC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000845607344 1321722677 /nfs/dbraw/zinc/72/26/77/1321722677.db2.gz BCUZLQJUIDYKRM-UHFFFAOYSA-N 1 2 348.834 3.256 20 30 EGEDLO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccc(C#N)cn1 ZINC000847007242 1321833184 /nfs/dbraw/zinc/83/31/84/1321833184.db2.gz AGKXVNVKLZTQJM-RBSFLKMASA-N 1 2 344.459 3.171 20 30 EGEDLO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](C)[N@H+]1Cc1ccc(C#N)cn1 ZINC000847007242 1321833188 /nfs/dbraw/zinc/83/31/88/1321833188.db2.gz AGKXVNVKLZTQJM-RBSFLKMASA-N 1 2 344.459 3.171 20 30 EGEDLO C[C@@H]1[C@H](C)[N@H+](Cc2ccc(C#N)cn2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000847007244 1321833501 /nfs/dbraw/zinc/83/35/01/1321833501.db2.gz AGKXVNVKLZTQJM-SOUVJXGZSA-N 1 2 344.459 3.171 20 30 EGEDLO C[C@@H]1[C@H](C)[N@@H+](Cc2ccc(C#N)cn2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000847007244 1321833503 /nfs/dbraw/zinc/83/35/03/1321833503.db2.gz AGKXVNVKLZTQJM-SOUVJXGZSA-N 1 2 344.459 3.171 20 30 EGEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000847381609 1321868047 /nfs/dbraw/zinc/86/80/47/1321868047.db2.gz BGCBWGQYGMXISS-CRAIPNDOSA-N 1 2 338.455 3.164 20 30 EGEDLO C=CCn1nnn(C[N@H+](Cc2ccccc2)[C@@H](C)C2CC2)c1=S ZINC000919940423 1322120163 /nfs/dbraw/zinc/12/01/63/1322120163.db2.gz GSEVRFHLTFZNIG-AWEZNQCLSA-N 1 2 329.473 3.253 20 30 EGEDLO C=CCn1nnn(C[N@@H+](Cc2ccccc2)[C@@H](C)C2CC2)c1=S ZINC000919940423 1322120165 /nfs/dbraw/zinc/12/01/65/1322120165.db2.gz GSEVRFHLTFZNIG-AWEZNQCLSA-N 1 2 329.473 3.253 20 30 EGEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2oc3ccccc3c2CSC)C1 ZINC000923597791 1322779517 /nfs/dbraw/zinc/77/95/17/1322779517.db2.gz QCLPLDVIPMDSDI-CQSZACIVSA-N 1 2 342.464 3.123 20 30 EGEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2oc3ccccc3c2CSC)C1 ZINC000923597791 1322779519 /nfs/dbraw/zinc/77/95/19/1322779519.db2.gz QCLPLDVIPMDSDI-CQSZACIVSA-N 1 2 342.464 3.123 20 30 EGEDLO N#Cc1ccc(CC[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000851747652 1323080956 /nfs/dbraw/zinc/08/09/56/1323080956.db2.gz HKCJOANWZMWHFL-LJQANCHMSA-N 1 2 328.362 3.452 20 30 EGEDLO N#Cc1ccc(CC[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000851747652 1323080963 /nfs/dbraw/zinc/08/09/63/1323080963.db2.gz HKCJOANWZMWHFL-LJQANCHMSA-N 1 2 328.362 3.452 20 30 EGEDLO C#CCOCC[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000852075698 1323141684 /nfs/dbraw/zinc/14/16/84/1323141684.db2.gz MHALAZRUOOKQLR-CZUORRHYSA-N 1 2 327.346 3.117 20 30 EGEDLO C#CCOCC[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000852075698 1323141690 /nfs/dbraw/zinc/14/16/90/1323141690.db2.gz MHALAZRUOOKQLR-CZUORRHYSA-N 1 2 327.346 3.117 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852757578 1323239355 /nfs/dbraw/zinc/23/93/55/1323239355.db2.gz WISMSWSBZMCJQF-JMSVASOKSA-N 1 2 339.361 3.008 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852757578 1323239363 /nfs/dbraw/zinc/23/93/63/1323239363.db2.gz WISMSWSBZMCJQF-JMSVASOKSA-N 1 2 339.361 3.008 20 30 EGEDLO C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C[C@H]1CC1(C)C ZINC000852771138 1323239879 /nfs/dbraw/zinc/23/98/79/1323239879.db2.gz CGDAWHKDXZTJKI-CHWSQXEVSA-N 1 2 327.453 3.450 20 30 EGEDLO C[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C[C@H]1CC1(C)C ZINC000852771138 1323239884 /nfs/dbraw/zinc/23/98/84/1323239884.db2.gz CGDAWHKDXZTJKI-CHWSQXEVSA-N 1 2 327.453 3.450 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC000852775952 1323240082 /nfs/dbraw/zinc/24/00/82/1323240082.db2.gz GYZLVCRBEYBWNO-IYBDPMFKSA-N 1 2 345.418 3.281 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC000852775952 1323240090 /nfs/dbraw/zinc/24/00/90/1323240090.db2.gz GYZLVCRBEYBWNO-IYBDPMFKSA-N 1 2 345.418 3.281 20 30 EGEDLO Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)o1 ZINC001024318808 1323303388 /nfs/dbraw/zinc/30/33/88/1323303388.db2.gz NEZQCOFVWQJRQA-GOSISDBHSA-N 1 2 337.423 3.244 20 30 EGEDLO Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)o1 ZINC001024318808 1323303392 /nfs/dbraw/zinc/30/33/92/1323303392.db2.gz NEZQCOFVWQJRQA-GOSISDBHSA-N 1 2 337.423 3.244 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnoc1-c1ccco1 ZINC001024512106 1323462631 /nfs/dbraw/zinc/46/26/31/1323462631.db2.gz RKDYZNJQROTPNZ-CYBMUJFWSA-N 1 2 349.818 3.271 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cnoc1-c1ccco1 ZINC001024512106 1323462637 /nfs/dbraw/zinc/46/26/37/1323462637.db2.gz RKDYZNJQROTPNZ-CYBMUJFWSA-N 1 2 349.818 3.271 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1c(C)cc(C)nc1C ZINC001024564037 1323504716 /nfs/dbraw/zinc/50/47/16/1323504716.db2.gz FZWQHXPWYQUOKE-INIZCTEOSA-N 1 2 335.879 3.344 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1c(C)cc(C)nc1C ZINC001024564037 1323504722 /nfs/dbraw/zinc/50/47/22/1323504722.db2.gz FZWQHXPWYQUOKE-INIZCTEOSA-N 1 2 335.879 3.344 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1OCCc2ccccc21 ZINC001024593064 1323525841 /nfs/dbraw/zinc/52/58/41/1323525841.db2.gz ZSWMQUKHQHKACI-AEFFLSMTSA-N 1 2 348.874 3.024 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1OCCc2ccccc21 ZINC001024593064 1323525845 /nfs/dbraw/zinc/52/58/45/1323525845.db2.gz ZSWMQUKHQHKACI-AEFFLSMTSA-N 1 2 348.874 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001024696849 1323612803 /nfs/dbraw/zinc/61/28/03/1323612803.db2.gz MOUHAPNRGLFYCH-QXCFHYIPSA-N 1 2 344.886 3.296 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001024696849 1323612808 /nfs/dbraw/zinc/61/28/08/1323612808.db2.gz MOUHAPNRGLFYCH-QXCFHYIPSA-N 1 2 344.886 3.296 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NCc1cccc(C(=O)N(C)C)c1 ZINC000853153441 1325054834 /nfs/dbraw/zinc/05/48/34/1325054834.db2.gz RGRKPOLPQOTSJQ-UHFFFAOYSA-N 1 2 337.423 3.188 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000853450598 1325094198 /nfs/dbraw/zinc/09/41/98/1325094198.db2.gz FBCMKFULWWEPRB-CRAIPNDOSA-N 1 2 332.469 3.340 20 30 EGEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C1CCCC1 ZINC000964624773 1325585328 /nfs/dbraw/zinc/58/53/28/1325585328.db2.gz YOJVASYGIFQOQC-AUUYWEPGSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C1CCCC1 ZINC000964624773 1325585333 /nfs/dbraw/zinc/58/53/33/1325585333.db2.gz YOJVASYGIFQOQC-AUUYWEPGSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2cnc(Cl)s2)C1 ZINC001191868461 1367621447 /nfs/dbraw/zinc/62/14/47/1367621447.db2.gz UDICOWMBWKQREI-OLZOCXBDSA-N 1 2 341.908 3.432 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2cnc(Cl)s2)C1 ZINC001191868461 1367621452 /nfs/dbraw/zinc/62/14/52/1367621452.db2.gz UDICOWMBWKQREI-OLZOCXBDSA-N 1 2 341.908 3.432 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC001027497440 1327761056 /nfs/dbraw/zinc/76/10/56/1327761056.db2.gz IWJZFGUOASIKPQ-IJEWVQPXSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC001027497440 1327761060 /nfs/dbraw/zinc/76/10/60/1327761060.db2.gz IWJZFGUOASIKPQ-IJEWVQPXSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([N@H+](C)Cc2nc(C)c(C)o2)C1 ZINC001027517562 1327788132 /nfs/dbraw/zinc/78/81/32/1327788132.db2.gz FEANUJADKJHDMY-INIZCTEOSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2nc(C)c(C)o2)C1 ZINC001027517562 1327788136 /nfs/dbraw/zinc/78/81/36/1327788136.db2.gz FEANUJADKJHDMY-INIZCTEOSA-N 1 2 333.476 3.317 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)[C@@H](C)c2nnc(C)s2)C1 ZINC001027525650 1327799276 /nfs/dbraw/zinc/79/92/76/1327799276.db2.gz XSUKRXFWIGPRDN-JSGCOSHPSA-N 1 2 336.505 3.043 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([N@H+](C)[C@@H](C)c2nnc(C)s2)C1 ZINC001027525650 1327799283 /nfs/dbraw/zinc/79/92/83/1327799283.db2.gz XSUKRXFWIGPRDN-JSGCOSHPSA-N 1 2 336.505 3.043 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)CC)C1 ZINC001027550531 1327859211 /nfs/dbraw/zinc/85/92/11/1327859211.db2.gz YKVKCWSUYRIWNN-CYBMUJFWSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)CC)C1 ZINC001027550531 1327859217 /nfs/dbraw/zinc/85/92/17/1327859217.db2.gz YKVKCWSUYRIWNN-CYBMUJFWSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@H+](C)Cc3snnc3C)C2)CC1 ZINC001027559394 1327871279 /nfs/dbraw/zinc/87/12/79/1327871279.db2.gz XBZUUFGRWJNHPH-INIZCTEOSA-N 1 2 348.516 3.016 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@@H+](C)Cc3snnc3C)C2)CC1 ZINC001027559394 1327871282 /nfs/dbraw/zinc/87/12/82/1327871282.db2.gz XBZUUFGRWJNHPH-INIZCTEOSA-N 1 2 348.516 3.016 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@@H+](C)[C@H](C)c3nnc(C)o3)C2)CC1 ZINC001027559462 1327871451 /nfs/dbraw/zinc/87/14/51/1327871451.db2.gz YTSSLVFRSGJWIG-PBHICJAKSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@H+](C)[C@H](C)c3nnc(C)o3)C2)CC1 ZINC001027559462 1327871454 /nfs/dbraw/zinc/87/14/54/1327871454.db2.gz YTSSLVFRSGJWIG-PBHICJAKSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]([N@H+](C)Cc2ncc(C)s2)C1 ZINC001027559663 1327873415 /nfs/dbraw/zinc/87/34/15/1327873415.db2.gz DGKOGKZLKREVNW-YJBOKZPZSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]([N@@H+](C)Cc2ncc(C)s2)C1 ZINC001027559663 1327873421 /nfs/dbraw/zinc/87/34/21/1327873421.db2.gz DGKOGKZLKREVNW-YJBOKZPZSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C[C@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccon2)C1)c1ccccc1 ZINC001027691095 1328093899 /nfs/dbraw/zinc/09/38/99/1328093899.db2.gz UVLNERXSWOTFTP-MOPGFXCFSA-N 1 2 339.439 3.067 20 30 EGEDLO C=C[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccon2)C1)c1ccccc1 ZINC001027691095 1328093908 /nfs/dbraw/zinc/09/39/08/1328093908.db2.gz UVLNERXSWOTFTP-MOPGFXCFSA-N 1 2 339.439 3.067 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC000966637740 1328363948 /nfs/dbraw/zinc/36/39/48/1328363948.db2.gz YJFSYGVGVPGXRT-KSSFIOAISA-N 1 2 345.874 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC000966637740 1328363954 /nfs/dbraw/zinc/36/39/54/1328363954.db2.gz YJFSYGVGVPGXRT-KSSFIOAISA-N 1 2 345.874 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C(C)C)nc2)C1 ZINC000966727061 1328395047 /nfs/dbraw/zinc/39/50/47/1328395047.db2.gz XIADJCFKARRMSY-GUYCJALGSA-N 1 2 335.879 3.398 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C(C)C)nc2)C1 ZINC000966727061 1328395055 /nfs/dbraw/zinc/39/50/55/1328395055.db2.gz XIADJCFKARRMSY-GUYCJALGSA-N 1 2 335.879 3.398 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)c2cc(C)ccn2)C1 ZINC000966903365 1328465166 /nfs/dbraw/zinc/46/51/66/1328465166.db2.gz FQNBOECVELUGKD-GOEBONIOSA-N 1 2 349.906 3.247 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)c2cc(C)ccn2)C1 ZINC000966903365 1328465171 /nfs/dbraw/zinc/46/51/71/1328465171.db2.gz FQNBOECVELUGKD-GOEBONIOSA-N 1 2 349.906 3.247 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnc2ccccc2c1C ZINC001028035579 1328498373 /nfs/dbraw/zinc/49/83/73/1328498373.db2.gz DDBKDPWQHLPDGC-OAHLLOKOSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc2ccccc2c1C ZINC001028035579 1328498380 /nfs/dbraw/zinc/49/83/80/1328498380.db2.gz DDBKDPWQHLPDGC-OAHLLOKOSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1nc2ccccc2cc1C ZINC001028036641 1328501479 /nfs/dbraw/zinc/50/14/79/1328501479.db2.gz VAMBTVYGCSXWOB-INIZCTEOSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1nc2ccccc2cc1C ZINC001028036641 1328501488 /nfs/dbraw/zinc/50/14/88/1328501488.db2.gz VAMBTVYGCSXWOB-INIZCTEOSA-N 1 2 343.858 3.490 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000862324437 1329475634 /nfs/dbraw/zinc/47/56/34/1329475634.db2.gz MMAKQYSCFXUIEW-WBVHZDCISA-N 1 2 340.427 3.017 20 30 EGEDLO N#Cc1cccc(Br)c1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000865735795 1329733854 /nfs/dbraw/zinc/73/38/54/1329733854.db2.gz YCVWWINGYWFDLM-CQSZACIVSA-N 1 2 344.212 3.373 20 30 EGEDLO N#Cc1cc(F)cc(NC(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000932105584 1329785766 /nfs/dbraw/zinc/78/57/66/1329785766.db2.gz WJQHMCSXYMRJDC-UHFFFAOYSA-N 1 2 339.374 3.201 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3ncc(C(C)C)o3)C[C@H]2C)C1 ZINC000942607705 1332003315 /nfs/dbraw/zinc/00/33/15/1332003315.db2.gz JQLHELAGPIJNEE-HZPDHXFCSA-N 1 2 345.487 3.481 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3ncc(C(C)C)o3)C[C@H]2C)C1 ZINC000942607705 1332003318 /nfs/dbraw/zinc/00/33/18/1332003318.db2.gz JQLHELAGPIJNEE-HZPDHXFCSA-N 1 2 345.487 3.481 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001063286737 1351795813 /nfs/dbraw/zinc/79/58/13/1351795813.db2.gz VKBWAROLYMHNKO-MRXNPFEDSA-N 1 2 330.476 3.428 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)C2CCCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000946972097 1332949534 /nfs/dbraw/zinc/94/95/34/1332949534.db2.gz WIXZLUGZTWYMLN-IFXJQAMLSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)C2CCCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000946972097 1332949538 /nfs/dbraw/zinc/94/95/38/1332949538.db2.gz WIXZLUGZTWYMLN-IFXJQAMLSA-N 1 2 343.446 3.357 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2ccsc2)C[C@@H]1C ZINC000947000059 1332963853 /nfs/dbraw/zinc/96/38/53/1332963853.db2.gz FPGHYKNVHRMUQC-WCQYABFASA-N 1 2 343.290 3.239 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2ccsc2)C[C@@H]1C ZINC000947000059 1332963854 /nfs/dbraw/zinc/96/38/54/1332963854.db2.gz FPGHYKNVHRMUQC-WCQYABFASA-N 1 2 343.290 3.239 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)C2=CCCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947185435 1333041026 /nfs/dbraw/zinc/04/10/26/1333041026.db2.gz MJNDVCORWYLMDT-AUUYWEPGSA-N 1 2 341.430 3.277 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)C2=CCCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947185435 1333041029 /nfs/dbraw/zinc/04/10/29/1333041029.db2.gz MJNDVCORWYLMDT-AUUYWEPGSA-N 1 2 341.430 3.277 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3coc(C)n3)[C@H](C)C2)CC1 ZINC000947690265 1333225352 /nfs/dbraw/zinc/22/53/52/1333225352.db2.gz SVWOXQVWCCWBEA-RHSMWYFYSA-N 1 2 331.460 3.199 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3coc(C)n3)[C@H](C)C2)CC1 ZINC000947690265 1333225354 /nfs/dbraw/zinc/22/53/54/1333225354.db2.gz SVWOXQVWCCWBEA-RHSMWYFYSA-N 1 2 331.460 3.199 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2(C)CC(=C)C2)C[C@H]1C ZINC000947702330 1333232154 /nfs/dbraw/zinc/23/21/54/1333232154.db2.gz MNHFJJXAADUVJM-KGLIPLIRSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2(C)CC(=C)C2)C[C@H]1C ZINC000947702330 1333232156 /nfs/dbraw/zinc/23/21/56/1333232156.db2.gz MNHFJJXAADUVJM-KGLIPLIRSA-N 1 2 341.293 3.220 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC000948923396 1333735573 /nfs/dbraw/zinc/73/55/73/1333735573.db2.gz IBWVUNLAMQZAEH-DFQSSKMNSA-N 1 2 338.495 3.408 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC000948923396 1333735579 /nfs/dbraw/zinc/73/55/79/1333735579.db2.gz IBWVUNLAMQZAEH-DFQSSKMNSA-N 1 2 338.495 3.408 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1occc1Cl ZINC000948954053 1333746180 /nfs/dbraw/zinc/74/61/80/1333746180.db2.gz JFXOSNVAECVWDS-KRWDZBQOSA-N 1 2 342.826 3.286 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1occc1Cl ZINC000948954053 1333746181 /nfs/dbraw/zinc/74/61/81/1333746181.db2.gz JFXOSNVAECVWDS-KRWDZBQOSA-N 1 2 342.826 3.286 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc[nH]c1C1CCC1 ZINC000948959209 1333748378 /nfs/dbraw/zinc/74/83/78/1333748378.db2.gz VIRMVRCGZJKVMD-FQEVSTJZSA-N 1 2 347.462 3.245 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc[nH]c1C1CCC1 ZINC000948959209 1333748379 /nfs/dbraw/zinc/74/83/79/1333748379.db2.gz VIRMVRCGZJKVMD-FQEVSTJZSA-N 1 2 347.462 3.245 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1occ2c1CCCC2 ZINC000948981780 1333756992 /nfs/dbraw/zinc/75/69/92/1333756992.db2.gz FCCBTVKCCBSILF-HXUWFJFHSA-N 1 2 348.446 3.121 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1occ2c1CCCC2 ZINC000948981780 1333756996 /nfs/dbraw/zinc/75/69/96/1333756996.db2.gz FCCBTVKCCBSILF-HXUWFJFHSA-N 1 2 348.446 3.121 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC000948982834 1333758877 /nfs/dbraw/zinc/75/88/77/1333758877.db2.gz QYXHBNQJGWKBPB-NRFANRHFSA-N 1 2 332.447 3.266 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC000948982834 1333758879 /nfs/dbraw/zinc/75/88/79/1333758879.db2.gz QYXHBNQJGWKBPB-NRFANRHFSA-N 1 2 332.447 3.266 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC2(CC1)C[N@H+](C/C=C\Cl)CCO2 ZINC000949433349 1333846011 /nfs/dbraw/zinc/84/60/11/1333846011.db2.gz PQGRANVVDZLKHM-YVMONPNESA-N 1 2 340.895 3.035 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC2(CC1)C[N@@H+](C/C=C\Cl)CCO2 ZINC000949433349 1333846015 /nfs/dbraw/zinc/84/60/15/1333846015.db2.gz PQGRANVVDZLKHM-YVMONPNESA-N 1 2 340.895 3.035 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC2(CC1)C[N@H+](C[C@H](F)CC)CCO2 ZINC000949463474 1333854361 /nfs/dbraw/zinc/85/43/61/1333854361.db2.gz NUJJHZASPHYZHH-AEFFLSMTSA-N 1 2 340.483 3.030 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC2(CC1)C[N@@H+](C[C@H](F)CC)CCO2 ZINC000949463474 1333854362 /nfs/dbraw/zinc/85/43/62/1333854362.db2.gz NUJJHZASPHYZHH-AEFFLSMTSA-N 1 2 340.483 3.030 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](CCOc2ccc(C)cc2)CC1 ZINC000950051275 1334003151 /nfs/dbraw/zinc/00/31/51/1334003151.db2.gz KIYOGXYVRPSKLP-HXUWFJFHSA-N 1 2 330.472 3.120 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(C3CC3)[nH]c2C2CC2)C1 ZINC000950620778 1334098010 /nfs/dbraw/zinc/09/80/10/1334098010.db2.gz AVCRHQCYVHLTQC-UHFFFAOYSA-N 1 2 327.472 3.492 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2sccc2-n2cccc2)C1 ZINC000951083795 1334179398 /nfs/dbraw/zinc/17/93/98/1334179398.db2.gz ULMNBUIKRHCBCR-UHFFFAOYSA-N 1 2 329.469 3.261 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@@H](C)C1 ZINC001063770074 1351997342 /nfs/dbraw/zinc/99/73/42/1351997342.db2.gz OHBKGAOBAYVSHQ-FZMZJTMJSA-N 1 2 336.867 3.213 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2c(C)cc(C)nc2C)C1 ZINC000967414555 1335730805 /nfs/dbraw/zinc/73/08/05/1335730805.db2.gz LBMDRMMRBTUQFV-BDJLRTHQSA-N 1 2 335.879 3.200 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2c(C)cc(C)nc2C)C1 ZINC000967414555 1335730808 /nfs/dbraw/zinc/73/08/08/1335730808.db2.gz LBMDRMMRBTUQFV-BDJLRTHQSA-N 1 2 335.879 3.200 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C)nc2C2CC2)C1 ZINC000967496966 1335759020 /nfs/dbraw/zinc/75/90/20/1335759020.db2.gz NDMISDKJBIJILD-SJKOYZFVSA-N 1 2 347.890 3.460 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C)nc2C2CC2)C1 ZINC000967496966 1335759023 /nfs/dbraw/zinc/75/90/23/1335759023.db2.gz NDMISDKJBIJILD-SJKOYZFVSA-N 1 2 347.890 3.460 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(Cl)n3)CC[C@H]2C)C1 ZINC000968215098 1335873744 /nfs/dbraw/zinc/87/37/44/1335873744.db2.gz VZLJNDCVCQRTHG-GDBMZVCRSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3cccc(Cl)n3)CC[C@H]2C)C1 ZINC000968215098 1335873747 /nfs/dbraw/zinc/87/37/47/1335873747.db2.gz VZLJNDCVCQRTHG-GDBMZVCRSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC000968340071 1335894291 /nfs/dbraw/zinc/89/42/91/1335894291.db2.gz LSWGKQBVKIRRDB-XIKOKIGWSA-N 1 2 347.890 3.460 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC000968340071 1335894293 /nfs/dbraw/zinc/89/42/93/1335894293.db2.gz LSWGKQBVKIRRDB-XIKOKIGWSA-N 1 2 347.890 3.460 20 30 EGEDLO Cc1cc(NCC[C@@H]2CCCCN2C(=O)[C@H](C)C#N)nc(C2CC2)[nH+]1 ZINC001063823644 1352028721 /nfs/dbraw/zinc/02/87/21/1352028721.db2.gz UQLUUPPURFQKPO-CJNGLKHVSA-N 1 2 341.459 3.005 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cncc3ccccc32)C1 ZINC000968678270 1336007217 /nfs/dbraw/zinc/00/72/17/1336007217.db2.gz PHMHIXRUIJYYRN-UGSOOPFHSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cncc3ccccc32)C1 ZINC000968678270 1336007218 /nfs/dbraw/zinc/00/72/18/1336007218.db2.gz PHMHIXRUIJYYRN-UGSOOPFHSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3n(c2)CCCC3)C1 ZINC000968713080 1336020781 /nfs/dbraw/zinc/02/07/81/1336020781.db2.gz JHDDGNMQVSXXOJ-DYVFJYSZSA-N 1 2 335.879 3.017 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3n(c2)CCCC3)C1 ZINC000968713080 1336020784 /nfs/dbraw/zinc/02/07/84/1336020784.db2.gz JHDDGNMQVSXXOJ-DYVFJYSZSA-N 1 2 335.879 3.017 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ncoc1C1CC1 ZINC000969105863 1336145938 /nfs/dbraw/zinc/14/59/38/1336145938.db2.gz PNSYADABWITRNH-CQSZACIVSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1ncoc1C1CC1 ZINC000969105863 1336145941 /nfs/dbraw/zinc/14/59/41/1336145941.db2.gz PNSYADABWITRNH-CQSZACIVSA-N 1 2 337.851 3.279 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@@H](C)C2C[NH+](Cc3ccccc3C#N)C2)o1 ZINC000969465895 1336214882 /nfs/dbraw/zinc/21/48/82/1336214882.db2.gz IQENDOKQOSCNIA-HNNXBMFYSA-N 1 2 337.423 3.018 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+][C@H](C)c2nc(CCCC)no2)C1 ZINC000969564087 1336224706 /nfs/dbraw/zinc/22/47/06/1336224706.db2.gz LYDYPIDTSHDUSJ-HUUCEWRRSA-N 1 2 348.491 3.266 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC000969719336 1336238836 /nfs/dbraw/zinc/23/88/36/1336238836.db2.gz BPQQBKYWYGBLSB-CQSZACIVSA-N 1 2 336.863 3.115 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccccc2-n2cccc2)C1 ZINC000970363757 1336298073 /nfs/dbraw/zinc/29/80/73/1336298073.db2.gz OTSDSQLQWLZITH-OAHLLOKOSA-N 1 2 343.858 3.280 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@H](C)C2CCC2)CC1 ZINC001005569319 1336372893 /nfs/dbraw/zinc/37/28/93/1336372893.db2.gz KIFFMQCVJUYRMM-ZDUSSCGKSA-N 1 2 343.309 3.254 20 30 EGEDLO CC1(C)C(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)C1(C)C ZINC001007030281 1336628998 /nfs/dbraw/zinc/62/89/98/1336628998.db2.gz WSDDOSJWMJMHKC-QGZVFWFLSA-N 1 2 339.483 3.321 20 30 EGEDLO CC1(C)C(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)C1(C)C ZINC001007030281 1336629001 /nfs/dbraw/zinc/62/90/01/1336629001.db2.gz WSDDOSJWMJMHKC-QGZVFWFLSA-N 1 2 339.483 3.321 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)C1CC1 ZINC001007038833 1336630519 /nfs/dbraw/zinc/63/05/19/1336630519.db2.gz XFPGSJYBTIYHCX-HNAYVOBHSA-N 1 2 344.886 3.318 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)C1CC1 ZINC001007038833 1336630521 /nfs/dbraw/zinc/63/05/21/1336630521.db2.gz XFPGSJYBTIYHCX-HNAYVOBHSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2-c2cn[nH]c2)C1 ZINC001007471328 1336653828 /nfs/dbraw/zinc/65/38/28/1336653828.db2.gz DULBTMWFSPUYJG-OAHLLOKOSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2-c2cn[nH]c2)C1 ZINC001007471328 1336653832 /nfs/dbraw/zinc/65/38/32/1336653832.db2.gz DULBTMWFSPUYJG-OAHLLOKOSA-N 1 2 344.846 3.023 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)C1CCC1 ZINC001007594263 1336673423 /nfs/dbraw/zinc/67/34/23/1336673423.db2.gz HISKYISPVDGYNJ-OXJNMPFZSA-N 1 2 342.458 3.194 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)C1CCC1 ZINC001007594263 1336673426 /nfs/dbraw/zinc/67/34/26/1336673426.db2.gz HISKYISPVDGYNJ-OXJNMPFZSA-N 1 2 342.458 3.194 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)C3(F)CCCC3)C2)ccc1F ZINC001007710876 1336689445 /nfs/dbraw/zinc/68/94/45/1336689445.db2.gz HBADZKBPSTUDBY-INIZCTEOSA-N 1 2 347.409 3.060 20 30 EGEDLO N#Cc1cc(C[N@H+]2CCC[C@H](NC(=O)C3(F)CCCC3)C2)ccc1F ZINC001007710876 1336689449 /nfs/dbraw/zinc/68/94/49/1336689449.db2.gz HBADZKBPSTUDBY-INIZCTEOSA-N 1 2 347.409 3.060 20 30 EGEDLO CC1(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)CC=CC1 ZINC001008428866 1336850590 /nfs/dbraw/zinc/85/05/90/1336850590.db2.gz NAMHOQMOTWZLNN-IBGZPJMESA-N 1 2 340.442 3.114 20 30 EGEDLO CC1(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)CC=CC1 ZINC001008428866 1336850594 /nfs/dbraw/zinc/85/05/94/1336850594.db2.gz NAMHOQMOTWZLNN-IBGZPJMESA-N 1 2 340.442 3.114 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)c2ccc(F)cc2F)C1 ZINC001009586353 1337041905 /nfs/dbraw/zinc/04/19/05/1337041905.db2.gz KAWNWIKDYULAQA-GXTWGEPZSA-N 1 2 342.817 3.401 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)c2ccc(F)cc2F)C1 ZINC001009586353 1337041909 /nfs/dbraw/zinc/04/19/09/1337041909.db2.gz KAWNWIKDYULAQA-GXTWGEPZSA-N 1 2 342.817 3.401 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C23CC(c4ccccc4)(C2)C3)C1 ZINC001009665002 1337056504 /nfs/dbraw/zinc/05/65/04/1337056504.db2.gz ZPFLZHOENXZOLY-QHGAOEGBSA-N 1 2 344.886 3.441 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C23CC(c4ccccc4)(C2)C3)C1 ZINC001009665002 1337056506 /nfs/dbraw/zinc/05/65/06/1337056506.db2.gz ZPFLZHOENXZOLY-QHGAOEGBSA-N 1 2 344.886 3.441 20 30 EGEDLO Cc1cscc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010473813 1337203125 /nfs/dbraw/zinc/20/31/25/1337203125.db2.gz USKPHIZVPUBQJD-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1cscc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010473813 1337203129 /nfs/dbraw/zinc/20/31/29/1337203129.db2.gz USKPHIZVPUBQJD-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cc2c(o1)CCCC2 ZINC001014677977 1337868129 /nfs/dbraw/zinc/86/81/29/1337868129.db2.gz QBYNBBLWRPOWDA-IBGZPJMESA-N 1 2 348.446 3.014 20 30 EGEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cc2c(o1)CCCC2 ZINC001014677977 1337868131 /nfs/dbraw/zinc/86/81/31/1337868131.db2.gz QBYNBBLWRPOWDA-IBGZPJMESA-N 1 2 348.446 3.014 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(C)cc2Cl)C1 ZINC001014986079 1337978452 /nfs/dbraw/zinc/97/84/52/1337978452.db2.gz ZNIIZFOJPBDPAQ-CQSZACIVSA-N 1 2 327.255 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(C)cc2Cl)C1 ZINC001014986079 1337978454 /nfs/dbraw/zinc/97/84/54/1337978454.db2.gz ZNIIZFOJPBDPAQ-CQSZACIVSA-N 1 2 327.255 3.134 20 30 EGEDLO CC1(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)CCCC1 ZINC001015436895 1338141596 /nfs/dbraw/zinc/14/15/96/1338141596.db2.gz VBRGGHQNEYXUIN-SFHVURJKSA-N 1 2 344.886 3.462 20 30 EGEDLO CC1(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)CCCC1 ZINC001015436895 1338141598 /nfs/dbraw/zinc/14/15/98/1338141598.db2.gz VBRGGHQNEYXUIN-SFHVURJKSA-N 1 2 344.886 3.462 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)C[C@@H]3CC=CCC3)C2)c1 ZINC001015525811 1338167301 /nfs/dbraw/zinc/16/73/01/1338167301.db2.gz BNLLAUCZCGDOOL-QAPCUYQASA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)C[C@@H]3CC=CCC3)C2)c1 ZINC001015525811 1338167304 /nfs/dbraw/zinc/16/73/04/1338167304.db2.gz BNLLAUCZCGDOOL-QAPCUYQASA-N 1 2 341.430 3.134 20 30 EGEDLO CC1(C(=O)N[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)CCC1 ZINC001015528094 1338169350 /nfs/dbraw/zinc/16/93/50/1338169350.db2.gz BKFKVGJYTPAEQG-KRWDZBQOSA-N 1 2 330.859 3.072 20 30 EGEDLO CC1(C(=O)N[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)CCC1 ZINC001015528094 1338169354 /nfs/dbraw/zinc/16/93/54/1338169354.db2.gz BKFKVGJYTPAEQG-KRWDZBQOSA-N 1 2 330.859 3.072 20 30 EGEDLO CC1(C)CC(CC(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001015601054 1338202290 /nfs/dbraw/zinc/20/22/90/1338202290.db2.gz KGLLRMWHHDKHCD-QGZVFWFLSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC(CC(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001015601054 1338202292 /nfs/dbraw/zinc/20/22/92/1338202292.db2.gz KGLLRMWHHDKHCD-QGZVFWFLSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3c(F)cccc3F)C2)CC1 ZINC001015659846 1338238767 /nfs/dbraw/zinc/23/87/67/1338238767.db2.gz LWNBTOYNCFPSEX-OAHLLOKOSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3c(F)cccc3F)C2)CC1 ZINC001015659846 1338238769 /nfs/dbraw/zinc/23/87/69/1338238769.db2.gz LWNBTOYNCFPSEX-OAHLLOKOSA-N 1 2 334.410 3.402 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)cs1 ZINC001015845394 1338332978 /nfs/dbraw/zinc/33/29/78/1338332978.db2.gz AFYADRNXNJHTFI-INIZCTEOSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)cs1 ZINC001015845394 1338332979 /nfs/dbraw/zinc/33/29/79/1338332979.db2.gz AFYADRNXNJHTFI-INIZCTEOSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1cc(F)ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001016045738 1338426485 /nfs/dbraw/zinc/42/64/85/1338426485.db2.gz OPOBVIYVRPDYNI-SFHVURJKSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cc(F)ccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001016045738 1338426488 /nfs/dbraw/zinc/42/64/88/1338426488.db2.gz OPOBVIYVRPDYNI-SFHVURJKSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cc(C)cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001016097630 1338460689 /nfs/dbraw/zinc/46/06/89/1338460689.db2.gz UAERMESXKRBWPO-HXUWFJFHSA-N 1 2 333.435 3.179 20 30 EGEDLO Cc1cc(C)cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001016097630 1338460690 /nfs/dbraw/zinc/46/06/90/1338460690.db2.gz UAERMESXKRBWPO-HXUWFJFHSA-N 1 2 333.435 3.179 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(OCC(C)C)cc2)C1 ZINC001016172882 1338490493 /nfs/dbraw/zinc/49/04/93/1338490493.db2.gz GYIZJKLTBQIEOI-INIZCTEOSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(OCC(C)C)cc2)C1 ZINC001016172882 1338490497 /nfs/dbraw/zinc/49/04/97/1338490497.db2.gz GYIZJKLTBQIEOI-INIZCTEOSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)c2cccc(Cl)c2)C1 ZINC001016309130 1338542917 /nfs/dbraw/zinc/54/29/17/1338542917.db2.gz UFXWHIMKKGILPB-IUODEOHRSA-N 1 2 327.255 3.387 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)c2cccc(Cl)c2)C1 ZINC001016309130 1338542919 /nfs/dbraw/zinc/54/29/19/1338542919.db2.gz UFXWHIMKKGILPB-IUODEOHRSA-N 1 2 327.255 3.387 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C23CC(c4ccccc4)(C2)C3)C1 ZINC001016361031 1338565871 /nfs/dbraw/zinc/56/58/71/1338565871.db2.gz WMLHMMMUXNLKRN-IVMQYODDSA-N 1 2 330.859 3.051 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C23CC(c4ccccc4)(C2)C3)C1 ZINC001016361031 1338565873 /nfs/dbraw/zinc/56/58/73/1338565873.db2.gz WMLHMMMUXNLKRN-IVMQYODDSA-N 1 2 330.859 3.051 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](C[N@@H+](C)[C@@H](C)c2noc(C)n2)C1 ZINC001017180852 1338924792 /nfs/dbraw/zinc/92/47/92/1338924792.db2.gz WFAQMATVIVXQHU-HOCLYGCPSA-N 1 2 348.491 3.212 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](C[N@H+](C)[C@@H](C)c2noc(C)n2)C1 ZINC001017180852 1338924795 /nfs/dbraw/zinc/92/47/95/1338924795.db2.gz WFAQMATVIVXQHU-HOCLYGCPSA-N 1 2 348.491 3.212 20 30 EGEDLO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)c(Cl)c1 ZINC001017542205 1339364506 /nfs/dbraw/zinc/36/45/06/1339364506.db2.gz YFFXYYYGSMFYAP-HDICACEKSA-N 1 2 342.870 3.237 20 30 EGEDLO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)c(Cl)c1 ZINC001017542205 1339364507 /nfs/dbraw/zinc/36/45/07/1339364507.db2.gz YFFXYYYGSMFYAP-HDICACEKSA-N 1 2 342.870 3.237 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)c(C)cc1Cl ZINC001017793465 1339422410 /nfs/dbraw/zinc/42/24/10/1339422410.db2.gz DSYVWKAGYLQINC-IYBDPMFKSA-N 1 2 330.859 3.269 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)c(C)cc1Cl ZINC001017793465 1339422411 /nfs/dbraw/zinc/42/24/11/1339422411.db2.gz DSYVWKAGYLQINC-IYBDPMFKSA-N 1 2 330.859 3.269 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@]23C[C@@H]2CCCC3)c1 ZINC001017919124 1339450913 /nfs/dbraw/zinc/45/09/13/1339450913.db2.gz GGUUKGIQHRQQRT-KEZQHZCBSA-N 1 2 349.478 3.314 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@]23C[C@@H]2CCCC3)c1 ZINC001017919124 1339450914 /nfs/dbraw/zinc/45/09/14/1339450914.db2.gz GGUUKGIQHRQQRT-KEZQHZCBSA-N 1 2 349.478 3.314 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(F)F)cc1F ZINC001018103674 1339502324 /nfs/dbraw/zinc/50/23/24/1339502324.db2.gz VRYUJPQWPHEAOV-OKILXGFUSA-N 1 2 336.357 3.075 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(F)F)cc1F ZINC001018103674 1339502327 /nfs/dbraw/zinc/50/23/27/1339502327.db2.gz VRYUJPQWPHEAOV-OKILXGFUSA-N 1 2 336.357 3.075 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1ccc(CC)cc1 ZINC001018153994 1339517090 /nfs/dbraw/zinc/51/70/90/1339517090.db2.gz DKVMXJSNJAORGR-BGYRXZFFSA-N 1 2 338.495 3.225 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1ccc(CC)cc1 ZINC001018153994 1339517092 /nfs/dbraw/zinc/51/70/92/1339517092.db2.gz DKVMXJSNJAORGR-BGYRXZFFSA-N 1 2 338.495 3.225 20 30 EGEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(Cl)cccc1Cl ZINC001018211680 1339534668 /nfs/dbraw/zinc/53/46/68/1339534668.db2.gz JTJXSMAVFSZBLM-TXEJJXNPSA-N 1 2 325.239 3.468 20 30 EGEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(Cl)cccc1Cl ZINC001018211680 1339534670 /nfs/dbraw/zinc/53/46/70/1339534670.db2.gz JTJXSMAVFSZBLM-TXEJJXNPSA-N 1 2 325.239 3.468 20 30 EGEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1-c1ccccc1 ZINC001018241154 1339545438 /nfs/dbraw/zinc/54/54/38/1339545438.db2.gz WUOHEIMIUYQSIS-KDURUIRLSA-N 1 2 330.431 3.276 20 30 EGEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1-c1ccccc1 ZINC001018241154 1339545443 /nfs/dbraw/zinc/54/54/43/1339545443.db2.gz WUOHEIMIUYQSIS-KDURUIRLSA-N 1 2 330.431 3.276 20 30 EGEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)c1ccc(Cl)cc1 ZINC001018299576 1339568321 /nfs/dbraw/zinc/56/83/21/1339568321.db2.gz PVUJMFVPQNWMNK-FGTMMUONSA-N 1 2 330.859 3.142 20 30 EGEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)c1ccc(Cl)cc1 ZINC001018299576 1339568327 /nfs/dbraw/zinc/56/83/27/1339568327.db2.gz PVUJMFVPQNWMNK-FGTMMUONSA-N 1 2 330.859 3.142 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC001028059016 1340403231 /nfs/dbraw/zinc/40/32/31/1340403231.db2.gz PYJIOAOCGZPLRP-VIFPVBQESA-N 1 2 336.650 3.268 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC001028059016 1340403235 /nfs/dbraw/zinc/40/32/35/1340403235.db2.gz PYJIOAOCGZPLRP-VIFPVBQESA-N 1 2 336.650 3.268 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC001028063120 1340404898 /nfs/dbraw/zinc/40/48/98/1340404898.db2.gz FVYSCEYOLQTXOZ-AWEZNQCLSA-N 1 2 335.810 3.254 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC001028063120 1340404900 /nfs/dbraw/zinc/40/49/00/1340404900.db2.gz FVYSCEYOLQTXOZ-AWEZNQCLSA-N 1 2 335.810 3.254 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cncc2sccc21 ZINC001028096482 1340423925 /nfs/dbraw/zinc/42/39/25/1340423925.db2.gz BXGZNVHUJBAJCL-GFCCVEGCSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cncc2sccc21 ZINC001028096482 1340423926 /nfs/dbraw/zinc/42/39/26/1340423926.db2.gz BXGZNVHUJBAJCL-GFCCVEGCSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@H+]2[C@H](C)c2nc(CC)no2)CC1 ZINC001028116104 1340437676 /nfs/dbraw/zinc/43/76/76/1340437676.db2.gz CHRWIDVPLOBDTG-ZBFHGGJFSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H](C)c2nc(CC)no2)CC1 ZINC001028116104 1340437678 /nfs/dbraw/zinc/43/76/78/1340437678.db2.gz CHRWIDVPLOBDTG-ZBFHGGJFSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@H+]2Cc2ncc(C)s2)CC1 ZINC001028117549 1340438586 /nfs/dbraw/zinc/43/85/86/1340438586.db2.gz QRXPGSADOUONPC-MRXNPFEDSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ncc(C)s2)CC1 ZINC001028117549 1340438587 /nfs/dbraw/zinc/43/85/87/1340438587.db2.gz QRXPGSADOUONPC-MRXNPFEDSA-N 1 2 333.501 3.279 20 30 EGEDLO C=Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=C)Br)cc1 ZINC001028156628 1340456450 /nfs/dbraw/zinc/45/64/50/1340456450.db2.gz RLUNGOAZJUDAIR-INIZCTEOSA-N 1 2 349.272 3.432 20 30 EGEDLO C=Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=C)Br)cc1 ZINC001028156628 1340456451 /nfs/dbraw/zinc/45/64/51/1340456451.db2.gz RLUNGOAZJUDAIR-INIZCTEOSA-N 1 2 349.272 3.432 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnccc1C(F)(F)F ZINC001028167204 1340463671 /nfs/dbraw/zinc/46/36/71/1340463671.db2.gz UOYGCCPIPRYAMG-LLVKDONJSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnccc1C(F)(F)F ZINC001028167204 1340463672 /nfs/dbraw/zinc/46/36/72/1340463672.db2.gz UOYGCCPIPRYAMG-LLVKDONJSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C1CCC(C(F)F)CC1 ZINC001028292902 1340543186 /nfs/dbraw/zinc/54/31/86/1340543186.db2.gz AHHOLGNQMLWCKL-RUXDESIVSA-N 1 2 334.838 3.391 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C1CCC(C(F)F)CC1 ZINC001028292902 1340543190 /nfs/dbraw/zinc/54/31/90/1340543190.db2.gz AHHOLGNQMLWCKL-RUXDESIVSA-N 1 2 334.838 3.391 20 30 EGEDLO CC[C@@]1(C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001029537939 1341008219 /nfs/dbraw/zinc/00/82/19/1341008219.db2.gz RKEQUMOGBHLRDC-JTJHWIPRSA-N 1 2 337.467 3.170 20 30 EGEDLO CC[C@@]1(C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001029537939 1341008221 /nfs/dbraw/zinc/00/82/21/1341008221.db2.gz RKEQUMOGBHLRDC-JTJHWIPRSA-N 1 2 337.467 3.170 20 30 EGEDLO C#Cc1ccc(C(=O)NC2C[NH+]([C@H](CC)c3ccc(F)cc3)C2)cc1 ZINC001030775498 1341223456 /nfs/dbraw/zinc/22/34/56/1341223456.db2.gz NZYJKYMXPAYDRX-HXUWFJFHSA-N 1 2 336.410 3.372 20 30 EGEDLO C=C1CCC(C(=O)NC2C[NH+]([C@@H](C)c3cccc(OC)c3)C2)CC1 ZINC001030903662 1341246759 /nfs/dbraw/zinc/24/67/59/1341246759.db2.gz QFZDBOSJYFVSIF-HNNXBMFYSA-N 1 2 328.456 3.303 20 30 EGEDLO C[C@@H]1C[C@H]1c1ccc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)o1 ZINC001031665343 1341384958 /nfs/dbraw/zinc/38/49/58/1341384958.db2.gz YCJFORHSTXACJF-RDTXWAMCSA-N 1 2 349.434 3.136 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cccc3c(C)c(C)[nH]c32)C1 ZINC001031775173 1341400386 /nfs/dbraw/zinc/40/03/86/1341400386.db2.gz BIDCMCLDTMAWSG-UHFFFAOYSA-N 1 2 331.847 3.199 20 30 EGEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)C2CCCCCCC2)C1 ZINC001031836220 1341409565 /nfs/dbraw/zinc/40/95/65/1341409565.db2.gz VPQOTBUSDJAPFF-UHFFFAOYSA-N 1 2 339.483 3.467 20 30 EGEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)C2CCC3(CC3)CC2)C1 ZINC001031852543 1341412275 /nfs/dbraw/zinc/41/22/75/1341412275.db2.gz DAAFVGRMEWKYOA-UHFFFAOYSA-N 1 2 337.467 3.077 20 30 EGEDLO CC[C@@H]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031953498 1341430944 /nfs/dbraw/zinc/43/09/44/1341430944.db2.gz LHZAHWORFUHBPV-AEFFLSMTSA-N 1 2 343.446 3.072 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2CCCCCC2)c1 ZINC001032311786 1341493468 /nfs/dbraw/zinc/49/34/68/1341493468.db2.gz PJGKZHKTBUKQKN-PMACEKPBSA-N 1 2 337.467 3.314 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2CCCCCC2)c1 ZINC001032311786 1341493470 /nfs/dbraw/zinc/49/34/70/1341493470.db2.gz PJGKZHKTBUKQKN-PMACEKPBSA-N 1 2 337.467 3.314 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cnc(C)s1 ZINC001032422685 1341509150 /nfs/dbraw/zinc/50/91/50/1341509150.db2.gz FZZRCUDNPIQYHU-STQMWFEESA-N 1 2 339.892 3.015 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cnc(C)s1 ZINC001032422685 1341509151 /nfs/dbraw/zinc/50/91/51/1341509151.db2.gz FZZRCUDNPIQYHU-STQMWFEESA-N 1 2 339.892 3.015 20 30 EGEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(Cl)oc2ccccc21 ZINC001032582429 1341548708 /nfs/dbraw/zinc/54/87/08/1341548708.db2.gz YBUZVMLHAOVLNW-STQMWFEESA-N 1 2 328.799 3.008 20 30 EGEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(Cl)oc2ccccc21 ZINC001032582429 1341548709 /nfs/dbraw/zinc/54/87/09/1341548709.db2.gz YBUZVMLHAOVLNW-STQMWFEESA-N 1 2 328.799 3.008 20 30 EGEDLO Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)c(F)c1 ZINC001032646424 1341569316 /nfs/dbraw/zinc/56/93/16/1341569316.db2.gz OBPQXSGLFPVLKN-ROUUACIJSA-N 1 2 349.409 3.105 20 30 EGEDLO Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)c(F)c1 ZINC001032646424 1341569317 /nfs/dbraw/zinc/56/93/17/1341569317.db2.gz OBPQXSGLFPVLKN-ROUUACIJSA-N 1 2 349.409 3.105 20 30 EGEDLO CN(C(=O)c1ccoc1)[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001032911504 1341663123 /nfs/dbraw/zinc/66/31/23/1341663123.db2.gz YSYJWYWNMUYTSI-SFHVURJKSA-N 1 2 342.826 3.131 20 30 EGEDLO CN(C(=O)c1ccoc1)[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001032911504 1341663124 /nfs/dbraw/zinc/66/31/24/1341663124.db2.gz YSYJWYWNMUYTSI-SFHVURJKSA-N 1 2 342.826 3.131 20 30 EGEDLO CN(C(=O)c1ccc(Cl)o1)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001032914136 1341664548 /nfs/dbraw/zinc/66/45/48/1341664548.db2.gz XSOZSOYAYCHSFS-MRXNPFEDSA-N 1 2 342.826 3.131 20 30 EGEDLO CN(C(=O)c1ccc(Cl)o1)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001032914136 1341664549 /nfs/dbraw/zinc/66/45/49/1341664549.db2.gz XSOZSOYAYCHSFS-MRXNPFEDSA-N 1 2 342.826 3.131 20 30 EGEDLO CN(C(=O)[C@@H]1CC1(C)C)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033014284 1341697193 /nfs/dbraw/zinc/69/71/93/1341697193.db2.gz ASDJDQZPDXBIGZ-SJORKVTESA-N 1 2 344.886 3.270 20 30 EGEDLO CN(C(=O)[C@@H]1CC1(C)C)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033014284 1341697194 /nfs/dbraw/zinc/69/71/94/1341697194.db2.gz ASDJDQZPDXBIGZ-SJORKVTESA-N 1 2 344.886 3.270 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001033083953 1341719164 /nfs/dbraw/zinc/71/91/64/1341719164.db2.gz AXGWHJZNBKRQAT-BZSNNMDCSA-N 1 2 332.875 3.465 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001033083953 1341719166 /nfs/dbraw/zinc/71/91/66/1341719166.db2.gz AXGWHJZNBKRQAT-BZSNNMDCSA-N 1 2 332.875 3.465 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3cc(OC)ccc32)C1 ZINC001033133180 1341736383 /nfs/dbraw/zinc/73/63/83/1341736383.db2.gz BVWJURKEDGCSCP-QAPCUYQASA-N 1 2 348.874 3.010 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3cc(OC)ccc32)C1 ZINC001033133180 1341736386 /nfs/dbraw/zinc/73/63/86/1341736386.db2.gz BVWJURKEDGCSCP-QAPCUYQASA-N 1 2 348.874 3.010 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(F)c(C)cc2F)C1 ZINC001033169618 1341743835 /nfs/dbraw/zinc/74/38/35/1341743835.db2.gz KRAUWVZTLPEHGL-LBPRGKRZSA-N 1 2 328.790 3.172 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(F)c(C)cc2F)C1 ZINC001033169618 1341743836 /nfs/dbraw/zinc/74/38/36/1341743836.db2.gz KRAUWVZTLPEHGL-LBPRGKRZSA-N 1 2 328.790 3.172 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-c3cnco3)cc2)C1 ZINC001033193573 1341749321 /nfs/dbraw/zinc/74/93/21/1341749321.db2.gz IAUHKFLKNDZIOZ-MRXNPFEDSA-N 1 2 345.830 3.240 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-c3cnco3)cc2)C1 ZINC001033193573 1341749322 /nfs/dbraw/zinc/74/93/22/1341749322.db2.gz IAUHKFLKNDZIOZ-MRXNPFEDSA-N 1 2 345.830 3.240 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001033283551 1341766877 /nfs/dbraw/zinc/76/68/77/1341766877.db2.gz MYZBVIQGMGHGQX-JENIJYKNSA-N 1 2 332.875 3.249 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001033283551 1341766878 /nfs/dbraw/zinc/76/68/78/1341766878.db2.gz MYZBVIQGMGHGQX-JENIJYKNSA-N 1 2 332.875 3.249 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2c(C)cc(C)cc2C)C1 ZINC001033380301 1341803630 /nfs/dbraw/zinc/80/36/30/1341803630.db2.gz JDTUFYCGKQNVKN-KRWDZBQOSA-N 1 2 334.891 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c(C)cc(C)cc2C)C1 ZINC001033380301 1341803631 /nfs/dbraw/zinc/80/36/31/1341803631.db2.gz JDTUFYCGKQNVKN-KRWDZBQOSA-N 1 2 334.891 3.440 20 30 EGEDLO CN(C(=O)c1occc1Cl)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033391308 1341809623 /nfs/dbraw/zinc/80/96/23/1341809623.db2.gz NLPWXLVCXXTVMW-HNNXBMFYSA-N 1 2 343.814 3.151 20 30 EGEDLO CN(C(=O)c1occc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033391308 1341809624 /nfs/dbraw/zinc/80/96/24/1341809624.db2.gz NLPWXLVCXXTVMW-HNNXBMFYSA-N 1 2 343.814 3.151 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C)cc2)C1 ZINC001033610810 1341901429 /nfs/dbraw/zinc/90/14/29/1341901429.db2.gz DFXRXLOEKFAUGZ-HNNXBMFYSA-N 1 2 337.261 3.050 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C)cc2)C1 ZINC001033610810 1341901433 /nfs/dbraw/zinc/90/14/33/1341901433.db2.gz DFXRXLOEKFAUGZ-HNNXBMFYSA-N 1 2 337.261 3.050 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)c3c2CCC3)C1 ZINC001033691957 1341955937 /nfs/dbraw/zinc/95/59/37/1341955937.db2.gz DQSARVFSIHAAFP-OAHLLOKOSA-N 1 2 332.875 3.383 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)c3c2CCC3)C1 ZINC001033691957 1341955939 /nfs/dbraw/zinc/95/59/39/1341955939.db2.gz DQSARVFSIHAAFP-OAHLLOKOSA-N 1 2 332.875 3.383 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2(c3ccccc3C)CC2)C1 ZINC001033713678 1341972741 /nfs/dbraw/zinc/97/27/41/1341972741.db2.gz RNDITQDIXORGHO-MRXNPFEDSA-N 1 2 332.875 3.312 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(c3ccccc3C)CC2)C1 ZINC001033713678 1341972742 /nfs/dbraw/zinc/97/27/42/1341972742.db2.gz RNDITQDIXORGHO-MRXNPFEDSA-N 1 2 332.875 3.312 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc3c2OCC3(C)C)C1 ZINC001033717540 1341974601 /nfs/dbraw/zinc/97/46/01/1341974601.db2.gz DNSUMZZGCXUCES-AWEZNQCLSA-N 1 2 348.874 3.255 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3c2OCC3(C)C)C1 ZINC001033717540 1341974603 /nfs/dbraw/zinc/97/46/03/1341974603.db2.gz DNSUMZZGCXUCES-AWEZNQCLSA-N 1 2 348.874 3.255 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C1 ZINC001033981196 1342128136 /nfs/dbraw/zinc/12/81/36/1342128136.db2.gz DUOHFTBLCUIRJJ-WZGPROSRSA-N 1 2 344.886 3.248 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C1 ZINC001033981196 1342128137 /nfs/dbraw/zinc/12/81/37/1342128137.db2.gz DUOHFTBLCUIRJJ-WZGPROSRSA-N 1 2 344.886 3.248 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001034054907 1342196029 /nfs/dbraw/zinc/19/60/29/1342196029.db2.gz TZICDHFTKIERAC-HNNXBMFYSA-N 1 2 338.883 3.061 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001034054907 1342196033 /nfs/dbraw/zinc/19/60/33/1342196033.db2.gz TZICDHFTKIERAC-HNNXBMFYSA-N 1 2 338.883 3.061 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@H](NC(=O)C2CCCC2)C1 ZINC001034064794 1342203380 /nfs/dbraw/zinc/20/33/80/1342203380.db2.gz MFIHMQVNSJOQKG-IBGZPJMESA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@H](NC(=O)C2CCCC2)C1 ZINC001034064794 1342203382 /nfs/dbraw/zinc/20/33/82/1342203382.db2.gz MFIHMQVNSJOQKG-IBGZPJMESA-N 1 2 343.446 3.358 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)C[C@@H]2C=CCC2)C1 ZINC001034089386 1342226820 /nfs/dbraw/zinc/22/68/20/1342226820.db2.gz CEGLNHQAYZORFC-HUUCEWRRSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2C=CCC2)C1 ZINC001034089386 1342226823 /nfs/dbraw/zinc/22/68/23/1342226823.db2.gz CEGLNHQAYZORFC-HUUCEWRRSA-N 1 2 341.293 3.222 20 30 EGEDLO C=CCC[N@H+]1CCCC[C@H](NC(=O)c2n[nH]c3ccc(C)cc32)C1 ZINC001034287723 1342374308 /nfs/dbraw/zinc/37/43/08/1342374308.db2.gz YAMKUOITVASHJE-HNNXBMFYSA-N 1 2 326.444 3.032 20 30 EGEDLO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2n[nH]c3ccc(C)cc32)C1 ZINC001034287723 1342374310 /nfs/dbraw/zinc/37/43/10/1342374310.db2.gz YAMKUOITVASHJE-HNNXBMFYSA-N 1 2 326.444 3.032 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)C2(C)CC=CC2)C1 ZINC001034375870 1342445706 /nfs/dbraw/zinc/44/57/06/1342445706.db2.gz GJDFICVPHXIYCM-AWEZNQCLSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)C2(C)CC=CC2)C1 ZINC001034375870 1342445709 /nfs/dbraw/zinc/44/57/09/1342445709.db2.gz GJDFICVPHXIYCM-AWEZNQCLSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001035585300 1343094109 /nfs/dbraw/zinc/09/41/09/1343094109.db2.gz CWTFMFPFVYEZKN-CYBMUJFWSA-N 1 2 343.254 3.000 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001035585300 1343094113 /nfs/dbraw/zinc/09/41/13/1343094113.db2.gz CWTFMFPFVYEZKN-CYBMUJFWSA-N 1 2 343.254 3.000 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001035616685 1343102685 /nfs/dbraw/zinc/10/26/85/1343102685.db2.gz LZRPYUYOGDKPLG-LPHOPBHVSA-N 1 2 330.472 3.207 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001035616685 1343102687 /nfs/dbraw/zinc/10/26/87/1343102687.db2.gz LZRPYUYOGDKPLG-LPHOPBHVSA-N 1 2 330.472 3.207 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cccnc1C1CC1)CC2 ZINC001035744272 1343165137 /nfs/dbraw/zinc/16/51/37/1343165137.db2.gz DKTIGQHMCORUBY-UHFFFAOYSA-N 1 2 345.874 3.250 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC2(C[NH+](Cc3ncc(C)s3)C2)CC1 ZINC001035763005 1343176605 /nfs/dbraw/zinc/17/66/05/1343176605.db2.gz ZLFIOLCSWDESHL-UHFFFAOYSA-N 1 2 347.528 3.478 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC2(C[NH+](CC=C(Cl)Cl)C2)CC1 ZINC001035767849 1343180038 /nfs/dbraw/zinc/18/00/38/1343180038.db2.gz UTTDDTUQHIGUDE-UHFFFAOYSA-N 1 2 331.287 3.442 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1ccco1)CC2 ZINC001035802894 1343205697 /nfs/dbraw/zinc/20/56/97/1343205697.db2.gz DGYQTCBOUNSXFF-HUUCEWRRSA-N 1 2 334.847 3.060 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1csc(Cl)n1)CC2 ZINC001035828346 1343217356 /nfs/dbraw/zinc/21/73/56/1343217356.db2.gz NWZGTNXVWGCJPP-UHFFFAOYSA-N 1 2 346.283 3.087 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccoc2C2CC2)cc1 ZINC001038636570 1344514088 /nfs/dbraw/zinc/51/40/88/1344514088.db2.gz RVKIUMXIMXOGKU-KRWDZBQOSA-N 1 2 335.407 3.033 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccoc2C2CC2)cc1 ZINC001038636570 1344514098 /nfs/dbraw/zinc/51/40/98/1344514098.db2.gz RVKIUMXIMXOGKU-KRWDZBQOSA-N 1 2 335.407 3.033 20 30 EGEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)c1cccc2[nH]ccc21 ZINC001038733289 1344558296 /nfs/dbraw/zinc/55/82/96/1344558296.db2.gz FMAHUWHZUJSKTE-SFHVURJKSA-N 1 2 343.430 3.024 20 30 EGEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)c1cccc2[nH]ccc21 ZINC001038733289 1344558302 /nfs/dbraw/zinc/55/83/02/1344558302.db2.gz FMAHUWHZUJSKTE-SFHVURJKSA-N 1 2 343.430 3.024 20 30 EGEDLO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)c(F)c1 ZINC001038743630 1344563413 /nfs/dbraw/zinc/56/34/13/1344563413.db2.gz QCHRERFNEXUDCU-QGZVFWFLSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)c(F)c1 ZINC001038743630 1344563418 /nfs/dbraw/zinc/56/34/18/1344563418.db2.gz QCHRERFNEXUDCU-QGZVFWFLSA-N 1 2 337.398 3.010 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1Cl ZINC001038806981 1344591055 /nfs/dbraw/zinc/59/10/55/1344591055.db2.gz FIRQJKMUIITIMJ-BQFCYCMXSA-N 1 2 348.874 3.012 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1Cl ZINC001038806981 1344591057 /nfs/dbraw/zinc/59/10/57/1344591057.db2.gz FIRQJKMUIITIMJ-BQFCYCMXSA-N 1 2 348.874 3.012 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)C2CCC=CCC2)s1 ZINC001039020024 1344718522 /nfs/dbraw/zinc/71/85/22/1344718522.db2.gz VKCCAJWBTHQDBX-OAHLLOKOSA-N 1 2 329.469 3.057 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)C2CCC=CCC2)s1 ZINC001039020024 1344718526 /nfs/dbraw/zinc/71/85/26/1344718526.db2.gz VKCCAJWBTHQDBX-OAHLLOKOSA-N 1 2 329.469 3.057 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cnccc2o1 ZINC001039401711 1345047513 /nfs/dbraw/zinc/04/75/13/1345047513.db2.gz REZJLFQVYNWWNT-CABCVRRESA-N 1 2 345.830 3.259 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cnccc2o1 ZINC001039401711 1345047518 /nfs/dbraw/zinc/04/75/18/1345047518.db2.gz REZJLFQVYNWWNT-CABCVRRESA-N 1 2 345.830 3.259 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c(c1)CCO2 ZINC001039442083 1345068080 /nfs/dbraw/zinc/06/80/80/1345068080.db2.gz LNSSVKMPJOCGGR-SJORKVTESA-N 1 2 346.858 3.053 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c(c1)CCO2 ZINC001039442083 1345068083 /nfs/dbraw/zinc/06/80/83/1345068083.db2.gz LNSSVKMPJOCGGR-SJORKVTESA-N 1 2 346.858 3.053 20 30 EGEDLO Cc1occc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1 ZINC001039509997 1345122232 /nfs/dbraw/zinc/12/22/32/1345122232.db2.gz MLMJLRJCVRLHOM-KDURUIRLSA-N 1 2 349.434 3.339 20 30 EGEDLO Cc1occc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1 ZINC001039509997 1345122235 /nfs/dbraw/zinc/12/22/35/1345122235.db2.gz MLMJLRJCVRLHOM-KDURUIRLSA-N 1 2 349.434 3.339 20 30 EGEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCc1ccccc1Cl ZINC001039531428 1345132114 /nfs/dbraw/zinc/13/21/14/1345132114.db2.gz OSYOSDXIFBFCLI-BHYGNILZSA-N 1 2 345.874 3.107 20 30 EGEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCc1ccccc1Cl ZINC001039531428 1345132117 /nfs/dbraw/zinc/13/21/17/1345132117.db2.gz OSYOSDXIFBFCLI-BHYGNILZSA-N 1 2 345.874 3.107 20 30 EGEDLO C=CCn1cccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C/C=C/Cl ZINC001039644688 1345152857 /nfs/dbraw/zinc/15/28/57/1345152857.db2.gz QCJPUHMOXFOCRS-NAMYYYICSA-N 1 2 333.863 3.106 20 30 EGEDLO C=CCn1cccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C/C=C/Cl ZINC001039644688 1345152860 /nfs/dbraw/zinc/15/28/60/1345152860.db2.gz QCJPUHMOXFOCRS-NAMYYYICSA-N 1 2 333.863 3.106 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cccc(C#N)c2)C1 ZINC001039906731 1345243703 /nfs/dbraw/zinc/24/37/03/1345243703.db2.gz VIEQQFNYJXWPQJ-BGYRXZFFSA-N 1 2 349.478 3.480 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cccc(C#N)c2)C1 ZINC001039906731 1345243705 /nfs/dbraw/zinc/24/37/05/1345243705.db2.gz VIEQQFNYJXWPQJ-BGYRXZFFSA-N 1 2 349.478 3.480 20 30 EGEDLO C#Cc1ccccc1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C/C=C/Cl ZINC001039983829 1345279727 /nfs/dbraw/zinc/27/97/27/1345279727.db2.gz NWAFQJQHUVRAHX-KRVVSLAESA-N 1 2 342.870 3.028 20 30 EGEDLO C#Cc1ccccc1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C/C=C/Cl ZINC001039983829 1345279731 /nfs/dbraw/zinc/27/97/31/1345279731.db2.gz NWAFQJQHUVRAHX-KRVVSLAESA-N 1 2 342.870 3.028 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H](CNc3cc[nH+]c(C)n3)[C@@H](C)C2)CC1 ZINC001040448569 1345506036 /nfs/dbraw/zinc/50/60/36/1345506036.db2.gz RGFUAYFXZYCGOZ-MAUKXSAKSA-N 1 2 342.487 3.428 20 30 EGEDLO C=CCC[N@H+]1CC[C@H]2CCN(C(=O)c3c(Cl)[nH]nc3C3CC3)C[C@@H]21 ZINC001042091081 1345941796 /nfs/dbraw/zinc/94/17/96/1345941796.db2.gz QCWRQQZXAYCNIH-JSGCOSHPSA-N 1 2 348.878 3.053 20 30 EGEDLO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3c(Cl)[nH]nc3C3CC3)C[C@@H]21 ZINC001042091081 1345941797 /nfs/dbraw/zinc/94/17/97/1345941797.db2.gz QCWRQQZXAYCNIH-JSGCOSHPSA-N 1 2 348.878 3.053 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3c(C)noc3C3CC3)C[C@@H]21 ZINC001042156121 1345958562 /nfs/dbraw/zinc/95/85/62/1345958562.db2.gz PZYIYIZJVWVICT-HIFRSBDPSA-N 1 2 349.862 3.149 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c(C)noc3C3CC3)C[C@@H]21 ZINC001042156121 1345958563 /nfs/dbraw/zinc/95/85/63/1345958563.db2.gz PZYIYIZJVWVICT-HIFRSBDPSA-N 1 2 349.862 3.149 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncc(C(C)C)o3)[C@@H]2C1 ZINC001042181082 1345969579 /nfs/dbraw/zinc/96/95/79/1345969579.db2.gz CTYOHBHSXMASGK-HZPDHXFCSA-N 1 2 345.487 3.433 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncc(C(C)C)o3)[C@@H]2C1 ZINC001042181082 1345969581 /nfs/dbraw/zinc/96/95/81/1345969581.db2.gz CTYOHBHSXMASGK-HZPDHXFCSA-N 1 2 345.487 3.433 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@H]2C)C1 ZINC001042470567 1346080309 /nfs/dbraw/zinc/08/03/09/1346080309.db2.gz DUJKONWFKDKGKS-GDBMZVCRSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CCn1cccc1C(=O)N(C)C1C[NH+](Cc2cc(C)sc2C)C1 ZINC001042927584 1346125829 /nfs/dbraw/zinc/12/58/29/1346125829.db2.gz DXNZVOPIOPILRM-UHFFFAOYSA-N 1 2 343.496 3.309 20 30 EGEDLO C=C1CCC(C(=O)N(C)C2C[NH+](CCOc3ccc(C)cc3)C2)CC1 ZINC001043759097 1346204737 /nfs/dbraw/zinc/20/47/37/1346204737.db2.gz FPHUDBHIPPSLAE-UHFFFAOYSA-N 1 2 342.483 3.263 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](CCOc3cc(C)cc(C)c3)C2)C1 ZINC001043793681 1346210124 /nfs/dbraw/zinc/21/01/24/1346210124.db2.gz AXXDTOARCHRREV-UHFFFAOYSA-N 1 2 342.483 3.181 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](CC[C@@H]3CC3(Cl)Cl)C2)C1 ZINC001043810817 1346212332 /nfs/dbraw/zinc/21/23/32/1346212332.db2.gz KHMWMPHMLICYOS-GFCCVEGCSA-N 1 2 331.287 3.069 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](CCOC3CCCCCC3)C2)C1 ZINC001043810286 1346212477 /nfs/dbraw/zinc/21/24/77/1346212477.db2.gz GNHVESBJVJRFAU-UHFFFAOYSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1nnc(C)o1 ZINC001045825407 1346709507 /nfs/dbraw/zinc/70/95/07/1346709507.db2.gz AQXRUDPENITVKS-IMJJTQAJSA-N 1 2 346.475 3.107 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1nnc(C)o1 ZINC001045825407 1346709509 /nfs/dbraw/zinc/70/95/09/1346709509.db2.gz AQXRUDPENITVKS-IMJJTQAJSA-N 1 2 346.475 3.107 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(F)C(F)(F)F)C2 ZINC001045938468 1346774430 /nfs/dbraw/zinc/77/44/30/1346774430.db2.gz BUMIDHVFXACRSW-UKRRQHHQSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(F)C(F)(F)F)C2 ZINC001045938468 1346774432 /nfs/dbraw/zinc/77/44/32/1346774432.db2.gz BUMIDHVFXACRSW-UKRRQHHQSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](F)C(F)(F)F)C2 ZINC001045938468 1346774434 /nfs/dbraw/zinc/77/44/34/1346774434.db2.gz BUMIDHVFXACRSW-UKRRQHHQSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](F)C(F)(F)F)C2 ZINC001045938468 1346774436 /nfs/dbraw/zinc/77/44/36/1346774436.db2.gz BUMIDHVFXACRSW-UKRRQHHQSA-N 1 2 336.373 3.168 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3C#N)C2)o1 ZINC001046221871 1346897464 /nfs/dbraw/zinc/89/74/64/1346897464.db2.gz OQRPVESXQNDBKY-FQEVSTJZSA-N 1 2 337.423 3.163 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3C#N)C2)o1 ZINC001046221871 1346897466 /nfs/dbraw/zinc/89/74/66/1346897466.db2.gz OQRPVESXQNDBKY-FQEVSTJZSA-N 1 2 337.423 3.163 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC001046371198 1346952866 /nfs/dbraw/zinc/95/28/66/1346952866.db2.gz IFNHTWBEEVIRSJ-SFHVURJKSA-N 1 2 331.847 3.194 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC001046371198 1346952867 /nfs/dbraw/zinc/95/28/67/1346952867.db2.gz IFNHTWBEEVIRSJ-SFHVURJKSA-N 1 2 331.847 3.194 20 30 EGEDLO C=C1CCC(C(=O)N[C@]2(C)CC[N@@H+]([C@@H](C)c3ncc(C)o3)C2)CC1 ZINC001046594059 1347030594 /nfs/dbraw/zinc/03/05/94/1347030594.db2.gz DBYLEWSLSCFUBT-HNAYVOBHSA-N 1 2 331.460 3.371 20 30 EGEDLO C=C1CCC(C(=O)N[C@]2(C)CC[N@H+]([C@@H](C)c3ncc(C)o3)C2)CC1 ZINC001046594059 1347030597 /nfs/dbraw/zinc/03/05/97/1347030597.db2.gz DBYLEWSLSCFUBT-HNAYVOBHSA-N 1 2 331.460 3.371 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001046609177 1347038222 /nfs/dbraw/zinc/03/82/22/1347038222.db2.gz UCYVQWVRUQKHBR-CJNGLKHVSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001046609177 1347038224 /nfs/dbraw/zinc/03/82/24/1347038224.db2.gz UCYVQWVRUQKHBR-CJNGLKHVSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001046635634 1347043910 /nfs/dbraw/zinc/04/39/10/1347043910.db2.gz YSDGISUREHKGON-IIAWOOMASA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001046635634 1347043914 /nfs/dbraw/zinc/04/39/14/1347043914.db2.gz YSDGISUREHKGON-IIAWOOMASA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2oc(C(C)C)nc2C)C1 ZINC001046688481 1347062943 /nfs/dbraw/zinc/06/29/43/1347062943.db2.gz VSRALRAPMZRZST-MRXNPFEDSA-N 1 2 325.840 3.053 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2oc(C(C)C)nc2C)C1 ZINC001046688481 1347062945 /nfs/dbraw/zinc/06/29/45/1347062945.db2.gz VSRALRAPMZRZST-MRXNPFEDSA-N 1 2 325.840 3.053 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnn([C@@H](C)CC)c2C)C1 ZINC001046763082 1347089528 /nfs/dbraw/zinc/08/95/28/1347089528.db2.gz MJPZTLGEYULEJJ-SUMWQHHRSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnn([C@@H](C)CC)c2C)C1 ZINC001046763082 1347089529 /nfs/dbraw/zinc/08/95/29/1347089529.db2.gz MJPZTLGEYULEJJ-SUMWQHHRSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(F)cc2Cl)C1 ZINC001046818440 1347117702 /nfs/dbraw/zinc/11/77/02/1347117702.db2.gz SFEQNIAIKMMZBZ-OAHLLOKOSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(F)cc2Cl)C1 ZINC001046818440 1347117703 /nfs/dbraw/zinc/11/77/03/1347117703.db2.gz SFEQNIAIKMMZBZ-OAHLLOKOSA-N 1 2 331.218 3.426 20 30 EGEDLO C[C@@]1(NC(=O)c2ccc(F)s2)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001046865671 1347138284 /nfs/dbraw/zinc/13/82/84/1347138284.db2.gz DOWABUATQMBRMV-MRXNPFEDSA-N 1 2 349.456 3.215 20 30 EGEDLO C[C@@]1(NC(=O)c2ccc(F)s2)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001046865671 1347138287 /nfs/dbraw/zinc/13/82/87/1347138287.db2.gz DOWABUATQMBRMV-MRXNPFEDSA-N 1 2 349.456 3.215 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001046869630 1347140076 /nfs/dbraw/zinc/14/00/76/1347140076.db2.gz OFLKNUCQOFOVAH-RHSMWYFYSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001046869630 1347140077 /nfs/dbraw/zinc/14/00/77/1347140077.db2.gz OFLKNUCQOFOVAH-RHSMWYFYSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2c(C)coc2C)C1 ZINC001046933080 1347156617 /nfs/dbraw/zinc/15/66/17/1347156617.db2.gz ZCHNVDUOCRWYMA-CYBMUJFWSA-N 1 2 346.805 3.336 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2c(C)coc2C)C1 ZINC001046933080 1347156618 /nfs/dbraw/zinc/15/66/18/1347156618.db2.gz ZCHNVDUOCRWYMA-CYBMUJFWSA-N 1 2 346.805 3.336 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CC[C@@H](Nc3cc[nH+]c(C)n3)C2)CC1 ZINC001047496743 1347307399 /nfs/dbraw/zinc/30/73/99/1347307399.db2.gz BPMQZCVZDDQFSD-DOTOQJQBSA-N 1 2 328.460 3.228 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc2cnccc2o1 ZINC001049571030 1347915493 /nfs/dbraw/zinc/91/54/93/1347915493.db2.gz BHXCVBBFPDDJOI-CABCVRRESA-N 1 2 345.830 3.259 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc2cnccc2o1 ZINC001049571030 1347915495 /nfs/dbraw/zinc/91/54/95/1347915495.db2.gz BHXCVBBFPDDJOI-CABCVRRESA-N 1 2 345.830 3.259 20 30 EGEDLO CC[C@H](F)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001049642389 1347949794 /nfs/dbraw/zinc/94/97/94/1347949794.db2.gz WKTXVHAUHBPOCY-KSZLIROESA-N 1 2 347.409 3.011 20 30 EGEDLO CC[C@H](F)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001049642389 1347949795 /nfs/dbraw/zinc/94/97/95/1347949795.db2.gz WKTXVHAUHBPOCY-KSZLIROESA-N 1 2 347.409 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(Cl)o3)[C@@H]2C1 ZINC001049973435 1348140026 /nfs/dbraw/zinc/14/00/26/1348140026.db2.gz FHLGDLQCZKJYBT-NWDGAFQWSA-N 1 2 329.227 3.222 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc(Cl)o3)[C@@H]2C1 ZINC001049973435 1348140027 /nfs/dbraw/zinc/14/00/27/1348140027.db2.gz FHLGDLQCZKJYBT-NWDGAFQWSA-N 1 2 329.227 3.222 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1scc(C)c1Cl ZINC001050935154 1348375087 /nfs/dbraw/zinc/37/50/87/1348375087.db2.gz WDEZRBGWEXYKLX-CYBMUJFWSA-N 1 2 342.892 3.107 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1scc(C)c1Cl ZINC001050935154 1348375083 /nfs/dbraw/zinc/37/50/83/1348375083.db2.gz WDEZRBGWEXYKLX-CYBMUJFWSA-N 1 2 342.892 3.107 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1csc2cc(C)ccc21 ZINC001050938426 1348375577 /nfs/dbraw/zinc/37/55/77/1348375577.db2.gz RBUNENBDQATTRN-HNNXBMFYSA-N 1 2 344.480 3.216 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1csc2cc(C)ccc21 ZINC001050938426 1348375579 /nfs/dbraw/zinc/37/55/79/1348375579.db2.gz RBUNENBDQATTRN-HNNXBMFYSA-N 1 2 344.480 3.216 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(c3cc(C)[nH+]c(C(C)C)n3)[C@@H]2C)C1 ZINC001050979079 1348380100 /nfs/dbraw/zinc/38/01/00/1348380100.db2.gz UCMSQWXXIURHOC-CVEARBPZSA-N 1 2 342.487 3.348 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc(Cl)c1Cl ZINC001051219542 1348404356 /nfs/dbraw/zinc/40/43/56/1348404356.db2.gz QYETZGYHRLAHJQ-LBPRGKRZSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc(Cl)c1Cl ZINC001051219542 1348404357 /nfs/dbraw/zinc/40/43/57/1348404357.db2.gz QYETZGYHRLAHJQ-LBPRGKRZSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(Cl)ccc1Cl ZINC001051218548 1348404511 /nfs/dbraw/zinc/40/45/11/1348404511.db2.gz FDBRESNJMIHTBK-ZDUSSCGKSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(Cl)ccc1Cl ZINC001051218548 1348404513 /nfs/dbraw/zinc/40/45/13/1348404513.db2.gz FDBRESNJMIHTBK-ZDUSSCGKSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(CCC)c(C)s1 ZINC001051235302 1348407291 /nfs/dbraw/zinc/40/72/91/1348407291.db2.gz MLJKONXUZBEHBY-INIZCTEOSA-N 1 2 336.501 3.016 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(CCC)c(C)s1 ZINC001051235302 1348407293 /nfs/dbraw/zinc/40/72/93/1348407293.db2.gz MLJKONXUZBEHBY-INIZCTEOSA-N 1 2 336.501 3.016 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc([C@@H](C)CC)cc1 ZINC001051259020 1348410792 /nfs/dbraw/zinc/41/07/92/1348410792.db2.gz SIGNVHCFFHJELK-QFBILLFUSA-N 1 2 330.472 3.207 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc([C@@H](C)CC)cc1 ZINC001051259020 1348410795 /nfs/dbraw/zinc/41/07/95/1348410795.db2.gz SIGNVHCFFHJELK-QFBILLFUSA-N 1 2 330.472 3.207 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)[C@@H]3CC3(F)F)cccc2C1 ZINC001051288651 1348419295 /nfs/dbraw/zinc/41/92/95/1348419295.db2.gz SDUZHTPWIGPJJE-HNNXBMFYSA-N 1 2 340.801 3.069 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)[C@@H]3CC3(F)F)cccc2C1 ZINC001051288651 1348419296 /nfs/dbraw/zinc/41/92/96/1348419296.db2.gz SDUZHTPWIGPJJE-HNNXBMFYSA-N 1 2 340.801 3.069 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3nnc(C(C)C)o3)CC2)C1 ZINC001052691690 1348635075 /nfs/dbraw/zinc/63/50/75/1348635075.db2.gz WMSFLYMBKTUDKK-HNNXBMFYSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3nnc(C(C)C)o3)CC2)C1 ZINC001052691690 1348635079 /nfs/dbraw/zinc/63/50/79/1348635079.db2.gz WMSFLYMBKTUDKK-HNNXBMFYSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C(C)C)oc1C)O2 ZINC001053682778 1349091651 /nfs/dbraw/zinc/09/16/51/1349091651.db2.gz LKCQFQJRLURLFE-MRXNPFEDSA-N 1 2 346.471 3.251 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CC[C@H](CC)CC1)O2 ZINC001053692129 1349093862 /nfs/dbraw/zinc/09/38/62/1349093862.db2.gz KBGIMGLIPNJJJF-KZNAEPCWSA-N 1 2 334.504 3.129 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccccc1CC(C)C)O2 ZINC001053701172 1349098477 /nfs/dbraw/zinc/09/84/77/1349098477.db2.gz OAMSVHKLVLNMHM-GOSISDBHSA-N 1 2 342.483 3.034 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CCCCC1(C)C)CO2 ZINC001054023987 1349131075 /nfs/dbraw/zinc/13/10/75/1349131075.db2.gz FRWAWMDIMMXCFR-DLBZAZTESA-N 1 2 334.504 3.129 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1occc1C(C)C ZINC001054049574 1349138261 /nfs/dbraw/zinc/13/82/61/1349138261.db2.gz BRMCAHNCMRZPSU-GOSISDBHSA-N 1 2 336.435 3.193 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1occc1C(C)C ZINC001054049574 1349138265 /nfs/dbraw/zinc/13/82/65/1349138265.db2.gz BRMCAHNCMRZPSU-GOSISDBHSA-N 1 2 336.435 3.193 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCc4ccccc43)cc2C1 ZINC001054270533 1349270164 /nfs/dbraw/zinc/27/01/64/1349270164.db2.gz QYKKUQTUVOZFBK-JOCHJYFZSA-N 1 2 344.458 3.372 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCc4ccccc43)cc2C1 ZINC001054270533 1349270166 /nfs/dbraw/zinc/27/01/66/1349270166.db2.gz QYKKUQTUVOZFBK-JOCHJYFZSA-N 1 2 344.458 3.372 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3c(F)cc(C)cc3F)cc2C1 ZINC001054273737 1349274029 /nfs/dbraw/zinc/27/40/29/1349274029.db2.gz XZFDXPLXWVGIRH-UHFFFAOYSA-N 1 2 340.373 3.152 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3c(F)cc(C)cc3F)cc2C1 ZINC001054273737 1349274033 /nfs/dbraw/zinc/27/40/33/1349274033.db2.gz XZFDXPLXWVGIRH-UHFFFAOYSA-N 1 2 340.373 3.152 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)C3[C@@H]4CCCCCC[C@@H]34)cc2C1 ZINC001054283786 1349285396 /nfs/dbraw/zinc/28/53/96/1349285396.db2.gz QJUHYJDDFJQXGJ-WOJBJXKFSA-N 1 2 336.479 3.468 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)C3[C@@H]4CCCCCC[C@@H]34)cc2C1 ZINC001054283786 1349285398 /nfs/dbraw/zinc/28/53/98/1349285398.db2.gz QJUHYJDDFJQXGJ-WOJBJXKFSA-N 1 2 336.479 3.468 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cccc4cc[nH]c43)cc2C1 ZINC001054283930 1349285474 /nfs/dbraw/zinc/28/54/74/1349285474.db2.gz XFJZGVCDDKUXCN-UHFFFAOYSA-N 1 2 329.403 3.047 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cccc4cc[nH]c43)cc2C1 ZINC001054283930 1349285479 /nfs/dbraw/zinc/28/54/79/1349285479.db2.gz XFJZGVCDDKUXCN-UHFFFAOYSA-N 1 2 329.403 3.047 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cnc(C(C)C)s3)cc2C1 ZINC001054293047 1349298931 /nfs/dbraw/zinc/29/89/31/1349298931.db2.gz LLJLONNRWPQGMG-UHFFFAOYSA-N 1 2 339.464 3.145 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cnc(C(C)C)s3)cc2C1 ZINC001054293047 1349298934 /nfs/dbraw/zinc/29/89/34/1349298934.db2.gz LLJLONNRWPQGMG-UHFFFAOYSA-N 1 2 339.464 3.145 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CCc3ccccc3CC2)C1 ZINC001080009768 1357458425 /nfs/dbraw/zinc/45/84/25/1357458425.db2.gz RSWAIYSEWMYQKW-AUUYWEPGSA-N 1 2 346.902 3.371 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CCc3ccccc3CC2)C1 ZINC001080009768 1357458429 /nfs/dbraw/zinc/45/84/29/1357458429.db2.gz RSWAIYSEWMYQKW-AUUYWEPGSA-N 1 2 346.902 3.371 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001056712583 1349924213 /nfs/dbraw/zinc/92/42/13/1349924213.db2.gz JENJNFFNNABLJM-CQSZACIVSA-N 1 2 348.878 3.454 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001056767713 1349934283 /nfs/dbraw/zinc/93/42/83/1349934283.db2.gz KGMQDEXFHUAIJR-DNVCBOLYSA-N 1 2 328.460 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001080128333 1357495031 /nfs/dbraw/zinc/49/50/31/1357495031.db2.gz BPJYFVXVZONJPZ-FSPWUOQZSA-N 1 2 332.875 3.369 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001080128333 1357495035 /nfs/dbraw/zinc/49/50/35/1357495035.db2.gz BPJYFVXVZONJPZ-FSPWUOQZSA-N 1 2 332.875 3.369 20 30 EGEDLO CC(C)c1cc(N[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)nc(C(C)C)[nH+]1 ZINC001057594556 1350085630 /nfs/dbraw/zinc/08/56/30/1350085630.db2.gz SXHLDOQMMBTOGD-HUUCEWRRSA-N 1 2 343.475 3.286 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001080162563 1357506984 /nfs/dbraw/zinc/50/69/84/1357506984.db2.gz SWHBOUOYEQDKPH-WCMCAJIFSA-N 1 2 332.875 3.153 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001080162563 1357506989 /nfs/dbraw/zinc/50/69/89/1357506989.db2.gz SWHBOUOYEQDKPH-WCMCAJIFSA-N 1 2 332.875 3.153 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCN(c3cc(C)[nH+]c(C(C)C)n3)C2)C1 ZINC001058236260 1350231465 /nfs/dbraw/zinc/23/14/65/1350231465.db2.gz PTBQXJOGUOAMOT-MRXNPFEDSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@@H](Nc3cc(C)[nH+]c(C(C)C)n3)C2)C1 ZINC001059811711 1350597958 /nfs/dbraw/zinc/59/79/58/1350597958.db2.gz YQXUHXRDKLAADM-GASCZTMLSA-N 1 2 328.460 3.324 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001080270376 1357543936 /nfs/dbraw/zinc/54/39/36/1357543936.db2.gz QWUZIJBSRSOXTQ-BPLDGKMQSA-N 1 2 341.293 3.078 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001080270376 1357543938 /nfs/dbraw/zinc/54/39/38/1357543938.db2.gz QWUZIJBSRSOXTQ-BPLDGKMQSA-N 1 2 341.293 3.078 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@@H]3CC[C@@H](Nc4cc[nH+]c(C)n4)[C@H]3C2)CC1 ZINC001060550584 1350968803 /nfs/dbraw/zinc/96/88/03/1350968803.db2.gz RHGWTGCHFHDMLM-OKZBNKHCSA-N 1 2 340.471 3.180 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H](N(C)c3nc(C)[nH+]c(C)c3C)C2)C1 ZINC001061262886 1351332594 /nfs/dbraw/zinc/33/25/94/1351332594.db2.gz DARMTZPFUDGRDJ-QGZVFWFLSA-N 1 2 342.487 3.185 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@H](CC)C1 ZINC001064413721 1352571963 /nfs/dbraw/zinc/57/19/63/1352571963.db2.gz ZIJHWMLDECNMBT-CVEARBPZSA-N 1 2 330.476 3.426 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@]2(CCN(c3nc(C)[nH+]c(C)c3C)C2)C1 ZINC001064635297 1352651001 /nfs/dbraw/zinc/65/10/01/1352651001.db2.gz GQXVGESTZSKELL-FQEVSTJZSA-N 1 2 342.487 3.043 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001080499352 1357645325 /nfs/dbraw/zinc/64/53/25/1357645325.db2.gz UUNOOFUZVYGBDE-YMTOWFKASA-N 1 2 331.218 3.282 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001080499352 1357645328 /nfs/dbraw/zinc/64/53/28/1357645328.db2.gz UUNOOFUZVYGBDE-YMTOWFKASA-N 1 2 331.218 3.282 20 30 EGEDLO C#CC[NH+]1CCN(Cc2c(Br)ccc(C)c2Cl)CC1 ZINC001238278949 1376996319 /nfs/dbraw/zinc/99/63/19/1376996319.db2.gz LHHPDHDKERVKRC-UHFFFAOYSA-N 1 2 341.680 3.162 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H](C)[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001067181343 1353330493 /nfs/dbraw/zinc/33/04/93/1353330493.db2.gz VCBZSSGBUMYIBS-DZGCQCFKSA-N 1 2 330.476 3.379 20 30 EGEDLO Cc1cccc(C(=O)N(C)C[C@H]2CC[N@@H+]2CC#Cc2ccccc2)c1 ZINC001085465462 1358520022 /nfs/dbraw/zinc/52/00/22/1358520022.db2.gz CCEPXXPLLXIVJO-OAQYLSRUSA-N 1 2 332.447 3.193 20 30 EGEDLO Cc1cccc(C(=O)N(C)C[C@H]2CC[N@H+]2CC#Cc2ccccc2)c1 ZINC001085465462 1358520023 /nfs/dbraw/zinc/52/00/23/1358520023.db2.gz CCEPXXPLLXIVJO-OAQYLSRUSA-N 1 2 332.447 3.193 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C3CCC(C)(C)CC3)c2C1 ZINC001069884108 1354293354 /nfs/dbraw/zinc/29/33/54/1354293354.db2.gz RGZNYKCNDCHTOL-UHFFFAOYSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C3CCC(C)(C)CC3)c2C1 ZINC001069884108 1354293355 /nfs/dbraw/zinc/29/33/55/1354293355.db2.gz RGZNYKCNDCHTOL-UHFFFAOYSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC(n2ncc3c2C[N@H+](CC(C)C)C3)CC1 ZINC001070347705 1354326486 /nfs/dbraw/zinc/32/64/86/1354326486.db2.gz IVRNJCGKHJDOEL-UHFFFAOYSA-N 1 2 344.503 3.230 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC(n2ncc3c2C[N@@H+](CC(C)C)C3)CC1 ZINC001070347705 1354326491 /nfs/dbraw/zinc/32/64/91/1354326491.db2.gz IVRNJCGKHJDOEL-UHFFFAOYSA-N 1 2 344.503 3.230 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)c2ccco2)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC001071312330 1354570684 /nfs/dbraw/zinc/57/06/84/1354570684.db2.gz JJQJGNVHDAPZRQ-XJKSGUPXSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)c2ccco2)C[N@H+]1Cc1ccc(C#N)cc1F ZINC001071312330 1354570686 /nfs/dbraw/zinc/57/06/86/1354570686.db2.gz JJQJGNVHDAPZRQ-XJKSGUPXSA-N 1 2 341.386 3.073 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)C2CCCCC2)CC[C@H]1C ZINC001071312081 1354571360 /nfs/dbraw/zinc/57/13/60/1354571360.db2.gz GJCITIHNDWDJSN-UKRRQHHQSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)C2CCCCC2)CC[C@H]1C ZINC001071312081 1354571362 /nfs/dbraw/zinc/57/13/62/1354571362.db2.gz GJCITIHNDWDJSN-UKRRQHHQSA-N 1 2 343.309 3.444 20 30 EGEDLO Cc1ccoc1C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001071352965 1354623250 /nfs/dbraw/zinc/62/32/50/1354623250.db2.gz YQNUDSAIRBECOB-ZIAGYGMSSA-N 1 2 343.452 3.304 20 30 EGEDLO Cc1ccoc1C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C#N)s2)C1 ZINC001071352965 1354623254 /nfs/dbraw/zinc/62/32/54/1354623254.db2.gz YQNUDSAIRBECOB-ZIAGYGMSSA-N 1 2 343.452 3.304 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2c(F)cccc2OC)CC[C@@H]1C ZINC001071528005 1354747839 /nfs/dbraw/zinc/74/78/39/1354747839.db2.gz MRYNHCQAOPVBEM-QWHCGFSZSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2c(F)cccc2OC)CC[C@@H]1C ZINC001071528005 1354747843 /nfs/dbraw/zinc/74/78/43/1354747843.db2.gz MRYNHCQAOPVBEM-QWHCGFSZSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccn3ccccc23)CC[C@H]1C ZINC001071679795 1354847322 /nfs/dbraw/zinc/84/73/22/1354847322.db2.gz ORKOGHGUKTXHBQ-CABCVRRESA-N 1 2 331.847 3.275 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccn3ccccc23)CC[C@H]1C ZINC001071679795 1354847326 /nfs/dbraw/zinc/84/73/26/1354847326.db2.gz ORKOGHGUKTXHBQ-CABCVRRESA-N 1 2 331.847 3.275 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc(OC)cc2C)CC[C@@H]1C ZINC001071779582 1354927274 /nfs/dbraw/zinc/92/72/74/1354927274.db2.gz LVHFBXAPNKQZDO-LSDHHAIUSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc(OC)cc2C)CC[C@@H]1C ZINC001071779582 1354927279 /nfs/dbraw/zinc/92/72/79/1354927279.db2.gz LVHFBXAPNKQZDO-LSDHHAIUSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3snnc3C)C2)CC1 ZINC001071796198 1354941364 /nfs/dbraw/zinc/94/13/64/1354941364.db2.gz QJOMRDNELNFPTO-XJKSGUPXSA-N 1 2 348.516 3.062 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3snnc3C)C2)CC1 ZINC001071796198 1354941367 /nfs/dbraw/zinc/94/13/67/1354941367.db2.gz QJOMRDNELNFPTO-XJKSGUPXSA-N 1 2 348.516 3.062 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3nc(C)c(C)o3)C2)C1 ZINC001071804096 1354947712 /nfs/dbraw/zinc/94/77/12/1354947712.db2.gz XAQDFXANXMMJRX-CJNGLKHVSA-N 1 2 331.460 3.117 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3nc(C)c(C)o3)C2)C1 ZINC001071804096 1354947716 /nfs/dbraw/zinc/94/77/16/1354947716.db2.gz XAQDFXANXMMJRX-CJNGLKHVSA-N 1 2 331.460 3.117 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3ccc(F)cn3)C2)C1 ZINC001071806449 1354949671 /nfs/dbraw/zinc/94/96/71/1354949671.db2.gz CEWHBYFQYRBVAG-WMLDXEAASA-N 1 2 331.435 3.046 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3ccc(F)cn3)C2)C1 ZINC001071806449 1354949674 /nfs/dbraw/zinc/94/96/74/1354949674.db2.gz CEWHBYFQYRBVAG-WMLDXEAASA-N 1 2 331.435 3.046 20 30 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1355854087 /nfs/dbraw/zinc/85/40/87/1355854087.db2.gz JERIVFZVUINVNF-IAGOWNOFSA-N 1 2 340.895 3.083 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001073905102 1355949080 /nfs/dbraw/zinc/94/90/80/1355949080.db2.gz VPRXKVPPHIGZPY-CVEARBPZSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001073905102 1355949082 /nfs/dbraw/zinc/94/90/82/1355949082.db2.gz VPRXKVPPHIGZPY-CVEARBPZSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001073906003 1355950641 /nfs/dbraw/zinc/95/06/41/1355950641.db2.gz QHZUVBCSSIMTDZ-HOTGVXAUSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001073906003 1355950647 /nfs/dbraw/zinc/95/06/47/1355950647.db2.gz QHZUVBCSSIMTDZ-HOTGVXAUSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccccc3CCC)C[C@H]21 ZINC001074293995 1356157865 /nfs/dbraw/zinc/15/78/65/1356157865.db2.gz 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C#Cc1cncc(C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC(=C)Cl)c1 ZINC001089691766 1360597466 /nfs/dbraw/zinc/59/74/66/1360597466.db2.gz XFTHMXOYRKBQIR-QGZVFWFLSA-N 1 2 345.874 3.036 20 30 EGEDLO C#Cc1cncc(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC(=C)Cl)c1 ZINC001089691766 1360597467 /nfs/dbraw/zinc/59/74/67/1360597467.db2.gz XFTHMXOYRKBQIR-QGZVFWFLSA-N 1 2 345.874 3.036 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ocnc1CC ZINC001089691609 1360597857 /nfs/dbraw/zinc/59/78/57/1360597857.db2.gz TVZYCQNUGGSWAU-CYBMUJFWSA-N 1 2 339.867 3.210 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ocnc1CC ZINC001089691609 1360597860 /nfs/dbraw/zinc/59/78/60/1360597860.db2.gz TVZYCQNUGGSWAU-CYBMUJFWSA-N 1 2 339.867 3.210 20 30 EGEDLO C=C1CCC(C(=O)NCCC2(CNc3cc[nH+]c(C)n3)CC2)CC1 ZINC001089994904 1360783446 /nfs/dbraw/zinc/78/34/46/1360783446.db2.gz ZOSDVSBNJXTUKO-UHFFFAOYSA-N 1 2 328.460 3.230 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC001090702095 1360926848 /nfs/dbraw/zinc/92/68/48/1360926848.db2.gz UPKHVNWZVBIVGP-NVXWUHKLSA-N 1 2 332.492 3.477 20 30 EGEDLO CC#CCCCC(=O)NC[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001091393477 1361078395 /nfs/dbraw/zinc/07/83/95/1361078395.db2.gz NQQOSWWJOPOZGE-WOVMCDHWSA-N 1 2 340.471 3.163 20 30 EGEDLO CC#CCCCC(=O)N(C)CCCCCCNc1cc[nH+]c(C)n1 ZINC001091746273 1361208403 /nfs/dbraw/zinc/20/84/03/1361208403.db2.gz ZMPKMCSAHSDRDN-UHFFFAOYSA-N 1 2 330.476 3.409 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@H+](C/C(Cl)=C/Cl)C[C@@]3(C)C2)C1 ZINC001091996486 1361270109 /nfs/dbraw/zinc/27/01/09/1361270109.db2.gz XQUPTKQDORQBLQ-YUAGVJCWSA-N 1 2 343.298 3.442 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@@H+](C/C(Cl)=C/Cl)C[C@@]3(C)C2)C1 ZINC001091996486 1361270113 /nfs/dbraw/zinc/27/01/13/1361270113.db2.gz XQUPTKQDORQBLQ-YUAGVJCWSA-N 1 2 343.298 3.442 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)CC(C)(C)C1 ZINC001092087136 1361297226 /nfs/dbraw/zinc/29/72/26/1361297226.db2.gz APRJNUYNIHJMCT-OAHLLOKOSA-N 1 2 330.476 3.108 20 30 EGEDLO C=CCCC(=O)N1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC001093142459 1361538640 /nfs/dbraw/zinc/53/86/40/1361538640.db2.gz MJHMZFJEKFXDBV-UHFFFAOYSA-N 1 2 330.476 3.338 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)CC3=CCCCC3)CC2)C1 ZINC001093517447 1361633672 /nfs/dbraw/zinc/63/36/72/1361633672.db2.gz NKSJXXCWEXQBET-UHFFFAOYSA-N 1 2 332.488 3.145 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3CCC[C@@H]3CCC)CC2)C1 ZINC001093548368 1361639387 /nfs/dbraw/zinc/63/93/87/1361639387.db2.gz BVDWEUDPSVKBDP-LPHOPBHVSA-N 1 2 334.504 3.081 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](C)CC3CCCC3)CC2)C1 ZINC001093578514 1361648144 /nfs/dbraw/zinc/64/81/44/1361648144.db2.gz BCRQNJNPBFLSDN-MRXNPFEDSA-N 1 2 334.504 3.081 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C(C)(C)C3CCCCC3)CC2)C1 ZINC001093581495 1361648729 /nfs/dbraw/zinc/64/87/29/1361648729.db2.gz MQUAAOXTCAREEN-UHFFFAOYSA-N 1 2 348.531 3.471 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C3(C)CCC(C)CC3)CC2)C1 ZINC001093599848 1361654550 /nfs/dbraw/zinc/65/45/50/1361654550.db2.gz FLICYSUSRUYQOL-UHFFFAOYSA-N 1 2 348.531 3.471 20 30 EGEDLO C#CCCCC(=O)NCCCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001094383834 1361781424 /nfs/dbraw/zinc/78/14/24/1361781424.db2.gz ZHMWSPXJIYTYNW-UHFFFAOYSA-N 1 2 330.476 3.445 20 30 EGEDLO C=CCO[C@H](C)C(=O)NCCCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001094476597 1361820669 /nfs/dbraw/zinc/82/06/69/1361820669.db2.gz XQYUTGYXZDSBHY-OAHLLOKOSA-N 1 2 348.491 3.233 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001095137538 1362028898 /nfs/dbraw/zinc/02/88/98/1362028898.db2.gz TYVZNIMEXGNZHZ-INIZCTEOSA-N 1 2 330.476 3.041 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001095151571 1362033632 /nfs/dbraw/zinc/03/36/32/1362033632.db2.gz WGRSTTYTFYXZCG-DYVFJYSZSA-N 1 2 330.476 3.041 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)c(C)o1 ZINC001095166254 1362038593 /nfs/dbraw/zinc/03/85/93/1362038593.db2.gz JCTMYGMDRKRHSA-HOJAQTOUSA-N 1 2 349.434 3.303 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)c(C)o1 ZINC001095166254 1362038596 /nfs/dbraw/zinc/03/85/96/1362038596.db2.gz JCTMYGMDRKRHSA-HOJAQTOUSA-N 1 2 349.434 3.303 20 30 EGEDLO C=CCC1(C(=O)NC2CCN(c3cc[nH+]c(C)n3)CC2)CCCCC1 ZINC001095416887 1362133262 /nfs/dbraw/zinc/13/32/62/1362133262.db2.gz YWRNJNZPUXIONE-UHFFFAOYSA-N 1 2 342.487 3.397 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095440745 1362141833 /nfs/dbraw/zinc/14/18/33/1362141833.db2.gz WEQLFQMVJGZQIH-ZDUSSCGKSA-N 1 2 330.476 3.089 20 30 EGEDLO C=CCC(C)(C)C(=O)NC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095448984 1362144764 /nfs/dbraw/zinc/14/47/64/1362144764.db2.gz HCDXNRRFOIXENE-UHFFFAOYSA-N 1 2 330.476 3.089 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC(F)(F)C1)C2 ZINC001095509392 1362158937 /nfs/dbraw/zinc/15/89/37/1362158937.db2.gz ZWXRBHWEFKREGM-CRWXNKLISA-N 1 2 332.822 3.286 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC(F)(F)C1)C2 ZINC001095509392 1362158938 /nfs/dbraw/zinc/15/89/38/1362158938.db2.gz ZWXRBHWEFKREGM-CRWXNKLISA-N 1 2 332.822 3.286 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001095727748 1362214741 /nfs/dbraw/zinc/21/47/41/1362214741.db2.gz ACEJNWFPGCSXKW-IBGZPJMESA-N 1 2 330.476 3.207 20 30 EGEDLO Cc1nc(NC2(CNC(=O)C#CC(C)C)CCCCCC2)cc[nH+]1 ZINC001095809587 1362239874 /nfs/dbraw/zinc/23/98/74/1362239874.db2.gz ORSJIJIDBHJVAW-UHFFFAOYSA-N 1 2 328.460 3.066 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCCN(CC)c1nc(C)[nH+]c(C)c1C ZINC001095946785 1362299753 /nfs/dbraw/zinc/29/97/53/1362299753.db2.gz LVRIWIKLRSSGGE-QGZVFWFLSA-N 1 2 332.492 3.337 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H](C)c2ncc(C)o2)C1 ZINC001095983395 1362322012 /nfs/dbraw/zinc/32/20/12/1362322012.db2.gz YLXMIRGIFFQHMO-FZKCQIBNSA-N 1 2 329.444 3.122 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H](C)c2ncc(C)o2)C1 ZINC001095983395 1362322015 /nfs/dbraw/zinc/32/20/15/1362322015.db2.gz YLXMIRGIFFQHMO-FZKCQIBNSA-N 1 2 329.444 3.122 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCCN(c1nc(C)[nH+]c(C)c1C)C1CC1 ZINC001096066013 1362362674 /nfs/dbraw/zinc/36/26/74/1362362674.db2.gz QBFHRWZTJCTIBO-KGLIPLIRSA-N 1 2 344.503 3.335 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1F)C2 ZINC001096133925 1362400133 /nfs/dbraw/zinc/40/01/33/1362400133.db2.gz YOGTZWCBTXWWMA-JGLPAQRISA-N 1 2 348.849 3.403 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1F)C2 ZINC001096133925 1362400136 /nfs/dbraw/zinc/40/01/36/1362400136.db2.gz YOGTZWCBTXWWMA-JGLPAQRISA-N 1 2 348.849 3.403 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3ccncc31)C2 ZINC001096267762 1362451667 /nfs/dbraw/zinc/45/16/67/1362451667.db2.gz AOWIHFGBHMWXCT-JLSDUUJJSA-N 1 2 341.842 3.322 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3ccncc31)C2 ZINC001096267762 1362451669 /nfs/dbraw/zinc/45/16/69/1362451669.db2.gz AOWIHFGBHMWXCT-JLSDUUJJSA-N 1 2 341.842 3.322 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CCN(c3cc(C)[nH+]c(C4CC4)n3)C2)CC1 ZINC001096479184 1362529340 /nfs/dbraw/zinc/52/93/40/1362529340.db2.gz VSWKUKYBZJZSCW-INIZCTEOSA-N 1 2 340.471 3.104 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)c1cccc(F)c1)C2 ZINC001096579666 1362586462 /nfs/dbraw/zinc/58/64/62/1362586462.db2.gz XNWIEAWDNNWPGL-VZEFYGNVSA-N 1 2 336.838 3.403 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)c1cccc(F)c1)C2 ZINC001096579666 1362586465 /nfs/dbraw/zinc/58/64/65/1362586465.db2.gz XNWIEAWDNNWPGL-VZEFYGNVSA-N 1 2 336.838 3.403 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](Nc2cc[nH+]c(C)n2)C2CC2)CCCC1 ZINC001096688392 1362639325 /nfs/dbraw/zinc/63/93/25/1362639325.db2.gz MXASQADVSAGTJP-MRXNPFEDSA-N 1 2 328.460 3.228 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H](CN(C)c2cc[nH+]c(C)n2)C1 ZINC001096873932 1362761744 /nfs/dbraw/zinc/76/17/44/1362761744.db2.gz KJMDSBCQKKQDKE-INIZCTEOSA-N 1 2 330.476 3.062 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001097094449 1362839981 /nfs/dbraw/zinc/83/99/81/1362839981.db2.gz OZNUJTCJTDWKSL-SLBVQIDZSA-N 1 2 330.476 3.426 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001097094448 1362840220 /nfs/dbraw/zinc/84/02/20/1362840220.db2.gz OZNUJTCJTDWKSL-DTZQCDIJSA-N 1 2 330.476 3.426 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2C[C@H](Nc3cc(C)[nH+]c(C4CC4)n3)C2)CC1 ZINC001097097518 1362841161 /nfs/dbraw/zinc/84/11/61/1362841161.db2.gz IWVOABSFZYWXSL-WKILWMFISA-N 1 2 340.471 3.468 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H]2CN(c3nc(C)[nH+]c(C)c3C)CC[C@H]21 ZINC001097136182 1362860590 /nfs/dbraw/zinc/86/05/90/1362860590.db2.gz FXGLVDDWDQKDGN-ZWKOTPCHSA-N 1 2 342.487 3.185 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097321492 1362931776 /nfs/dbraw/zinc/93/17/76/1362931776.db2.gz ILLFUQRLZYBKSV-KRWDZBQOSA-N 1 2 330.476 3.091 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097342065 1362942933 /nfs/dbraw/zinc/94/29/33/1362942933.db2.gz QXKMBMLOADXCCF-KDOFPFPSSA-N 1 2 344.503 3.337 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H]2CCCN(c3nc(C)[nH+]c(C)c3C)C2)C1 ZINC001097347092 1362945802 /nfs/dbraw/zinc/94/58/02/1362945802.db2.gz OLSAZDHCTLKOBO-KRWDZBQOSA-N 1 2 342.487 3.091 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCCC1(F)F)C2 ZINC001097580742 1363060414 /nfs/dbraw/zinc/06/04/14/1363060414.db2.gz JTTRGPVFZABKMK-RQJABVFESA-N 1 2 332.822 3.286 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCCC1(F)F)C2 ZINC001097580742 1363060417 /nfs/dbraw/zinc/06/04/17/1363060417.db2.gz JTTRGPVFZABKMK-RQJABVFESA-N 1 2 332.822 3.286 20 30 EGEDLO C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)C=CCC1 ZINC001097665245 1363094927 /nfs/dbraw/zinc/09/49/27/1363094927.db2.gz QQRLQVMYGUJZME-BNDYYXHWSA-N 1 2 335.451 3.136 20 30 EGEDLO C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)C=CCC1 ZINC001097665245 1363094928 /nfs/dbraw/zinc/09/49/28/1363094928.db2.gz QQRLQVMYGUJZME-BNDYYXHWSA-N 1 2 335.451 3.136 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cc(C)ccc1C)C2 ZINC001097778479 1363119013 /nfs/dbraw/zinc/11/90/13/1363119013.db2.gz XTNSPRLITSVWFE-KURKYZTESA-N 1 2 332.875 3.320 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cc(C)ccc1C)C2 ZINC001097778479 1363119017 /nfs/dbraw/zinc/11/90/17/1363119017.db2.gz XTNSPRLITSVWFE-KURKYZTESA-N 1 2 332.875 3.320 20 30 EGEDLO C=CCC[C@H](C(=O)NC[C@@H](C)Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC001097934774 1363171378 /nfs/dbraw/zinc/17/13/78/1363171378.db2.gz HXZPGZDXKVLCQH-QAPCUYQASA-N 1 2 338.455 3.452 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1[C@@H]3c4ccccc4C[C@H]13)C2 ZINC001097990859 1363190577 /nfs/dbraw/zinc/19/05/77/1363190577.db2.gz PIOGECLMMIEGHB-JUAVELKISA-N 1 2 342.870 3.046 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1[C@@H]3c4ccccc4C[C@H]13)C2 ZINC001097990859 1363190579 /nfs/dbraw/zinc/19/05/79/1363190579.db2.gz PIOGECLMMIEGHB-JUAVELKISA-N 1 2 342.870 3.046 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001098243654 1363267039 /nfs/dbraw/zinc/26/70/39/1363267039.db2.gz BXEFYXCZMNZSFD-AWEZNQCLSA-N 1 2 328.460 3.325 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](OCC)C1CC1 ZINC001099080704 1363612888 /nfs/dbraw/zinc/61/28/88/1363612888.db2.gz RKUPVBIUMSGNLC-CVEARBPZSA-N 1 2 342.911 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](OCC)C1CC1 ZINC001099080704 1363612890 /nfs/dbraw/zinc/61/28/90/1363612890.db2.gz RKUPVBIUMSGNLC-CVEARBPZSA-N 1 2 342.911 3.161 20 30 EGEDLO Cc1nc(N[C@H](C)CCNC(=O)C#CC(C)(C)C)c2c([nH+]1)CCCC2 ZINC001099087395 1363616367 /nfs/dbraw/zinc/61/63/67/1363616367.db2.gz QGAQCFBBFKIQRV-CQSZACIVSA-N 1 2 342.487 3.020 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCN(CC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001100705020 1364227893 /nfs/dbraw/zinc/22/78/93/1364227893.db2.gz KQYPZRIYRBRJHJ-IBGZPJMESA-N 1 2 332.492 3.453 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H]2CCCN2c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001100904303 1364324053 /nfs/dbraw/zinc/32/40/53/1364324053.db2.gz OLFOAIBCJFLFCW-INIZCTEOSA-N 1 2 340.471 3.104 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@H]1CCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001100915291 1364329179 /nfs/dbraw/zinc/32/91/79/1364329179.db2.gz PNDUUDXKCDWXCR-MRXNPFEDSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001101056585 1364395328 /nfs/dbraw/zinc/39/53/28/1364395328.db2.gz UHSJFIPRNROWTF-UZLBHIALSA-N 1 2 344.503 3.453 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001101063180 1364397602 /nfs/dbraw/zinc/39/76/02/1364397602.db2.gz UWJIIOPWVRDKHZ-MRXNPFEDSA-N 1 2 344.503 3.453 20 30 EGEDLO C=C(C)CCC(=O)NCCN(c1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001101394696 1364543850 /nfs/dbraw/zinc/54/38/50/1364543850.db2.gz YFJLMRHTKGUYHK-UHFFFAOYSA-N 1 2 330.476 3.350 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](CCCC)C(C)C)c1nccn12 ZINC001101653062 1364674480 /nfs/dbraw/zinc/67/44/80/1364674480.db2.gz ZHMDRMOZKARMSN-SJORKVTESA-N 1 2 344.503 3.103 20 30 EGEDLO C=CC(C)(C)CC(=O)N(CCC)[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102251415 1364965518 /nfs/dbraw/zinc/96/55/18/1364965518.db2.gz DDZHYJUTZAWYBZ-INIZCTEOSA-N 1 2 330.476 3.205 20 30 EGEDLO C#CCCCC(=O)NCC[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001102315382 1364997753 /nfs/dbraw/zinc/99/77/53/1364997753.db2.gz SNUSONXLOGNAQW-KRWDZBQOSA-N 1 2 342.487 3.045 20 30 EGEDLO C=C(C)CCC(=O)NCC[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102358306 1365021325 /nfs/dbraw/zinc/02/13/25/1365021325.db2.gz CWFIVOCFFJJIAL-INIZCTEOSA-N 1 2 342.487 3.351 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102756088 1365204197 /nfs/dbraw/zinc/20/41/97/1365204197.db2.gz OMGAHJZINPGZGX-JXFKEZNVSA-N 1 2 342.487 3.302 20 30 EGEDLO C#CCC1(C(=O)NC[C@H](CC)Nc2cc[nH+]c(C)n2)CCCCC1 ZINC001103116332 1365390994 /nfs/dbraw/zinc/39/09/94/1365390994.db2.gz WFIQHHMGMALSEP-INIZCTEOSA-N 1 2 328.460 3.066 20 30 EGEDLO C#CCC1(C(=O)NC[C@H](CC)Nc2cc(C)[nH+]c(C(C)C)n2)CCC1 ZINC001103205369 1365435074 /nfs/dbraw/zinc/43/50/74/1365435074.db2.gz YRHOBYGYNUDYBK-INIZCTEOSA-N 1 2 342.487 3.409 20 30 EGEDLO Cc1cc(NCc2ccc(CNC(=O)[C@H](C)C#N)cc2)nc(C2CC2)[nH+]1 ZINC001103661157 1365709400 /nfs/dbraw/zinc/70/94/00/1365709400.db2.gz CTEFCZVSXOADGO-CYBMUJFWSA-N 1 2 349.438 3.050 20 30 EGEDLO CC(C)c1cc(NC[C@H](C)N(C)C(=O)[C@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001104523956 1366061423 /nfs/dbraw/zinc/06/14/23/1366061423.db2.gz HBVPEJAFWUMYRG-KGLIPLIRSA-N 1 2 331.464 3.142 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H](CNc1cc[nH+]c(C)n1)CC(C)C ZINC001104983979 1366257949 /nfs/dbraw/zinc/25/79/49/1366257949.db2.gz GDPFVKUQJGCPQA-QGZVFWFLSA-N 1 2 330.476 3.312 20 30 EGEDLO C=CCCC(=O)N1CC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC001105037996 1366287498 /nfs/dbraw/zinc/28/74/98/1366287498.db2.gz GFKUGNDCWWKGAU-YOEHRIQHSA-N 1 2 342.487 3.279 20 30 EGEDLO C#CCCCCC(=O)N1CCCC[C@@H]1CCNc1cc[nH+]c(C)n1 ZINC001105062718 1366301281 /nfs/dbraw/zinc/30/12/81/1366301281.db2.gz CWNGFDHJKHCPIE-QGZVFWFLSA-N 1 2 328.460 3.162 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC(CCN(C)c2cc[nH+]c(C)n2)CC1 ZINC001105101009 1366328924 /nfs/dbraw/zinc/32/89/24/1366328924.db2.gz SXWJVEHLGASIMK-MRXNPFEDSA-N 1 2 344.503 3.452 20 30 EGEDLO C#CCCCC(=O)NC[C@H](Nc1nc(C)[nH+]c2c1CCCC2)C(C)C ZINC001105162145 1366350582 /nfs/dbraw/zinc/35/05/82/1366350582.db2.gz MKYGSDBQPMAYRZ-SFHVURJKSA-N 1 2 342.487 3.020 20 30 EGEDLO C=CCO[C@@H](C)C(=O)NC[C@H](Nc1cc(C)[nH+]c(C(C)C)n1)C(C)C ZINC001105194139 1366365050 /nfs/dbraw/zinc/36/50/50/1366365050.db2.gz SDJOPSLAAVCEOH-HOTGVXAUSA-N 1 2 348.491 3.052 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](C)[C@@H](C)C(C)(C)C)CC2)C1 ZINC001105727960 1366587177 /nfs/dbraw/zinc/58/71/77/1366587177.db2.gz IZWPRYADJYDAAM-HZPDHXFCSA-N 1 2 336.520 3.183 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](CCC)CC(C)C)CC2)C1 ZINC001105734581 1366589475 /nfs/dbraw/zinc/58/94/75/1366589475.db2.gz YOXHPXRTYHYNJM-QGZVFWFLSA-N 1 2 336.520 3.327 20 30 EGEDLO C#CCC1(C(=O)N[C@@H](C)CCNc2cc[nH+]c(C)n2)CCCCC1 ZINC001106361287 1366670074 /nfs/dbraw/zinc/67/00/74/1366670074.db2.gz CNIZHXVGZQFQKV-HNNXBMFYSA-N 1 2 328.460 3.066 20 30 EGEDLO CCN(CCNc1cc(C(C)C)[nH+]c(C(C)C)n1)C(=O)[C@H](C)C#N ZINC001106707498 1366777408 /nfs/dbraw/zinc/77/74/08/1366777408.db2.gz JSEYTUZIIUDLPN-CQSZACIVSA-N 1 2 331.464 3.143 20 30 EGEDLO C=CC(C)(C)CC(=O)NC/C=C/CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107362177 1366942864 /nfs/dbraw/zinc/94/28/64/1366942864.db2.gz YLCBAYONIHSLGP-VOTSOKGWSA-N 1 2 328.460 3.349 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC/C=C/CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107464930 1366974167 /nfs/dbraw/zinc/97/41/67/1366974167.db2.gz ZYJVZNZKKSJARU-LFAOLKIESA-N 1 2 328.460 3.349 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H](C)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001109184888 1366992075 /nfs/dbraw/zinc/99/20/75/1366992075.db2.gz KSNZKUXPBOHDBI-GDBMZVCRSA-N 1 2 332.492 3.452 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC/C=C/CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107495343 1366994160 /nfs/dbraw/zinc/99/41/60/1366994160.db2.gz GTWCJYKNKGSXBG-UCFODXPJSA-N 1 2 328.460 3.349 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001109202601 1366999691 /nfs/dbraw/zinc/99/96/91/1366999691.db2.gz HXNFEMGLRGVGKY-HOTGVXAUSA-N 1 2 332.492 3.452 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H](C)CN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001109225591 1367013439 /nfs/dbraw/zinc/01/34/39/1367013439.db2.gz QKJDTDCIRCXFSE-VLIAUNLRSA-N 1 2 344.503 3.207 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1sccc1Cl ZINC001109246232 1367024360 /nfs/dbraw/zinc/02/43/60/1367024360.db2.gz SUKUDPIMZMSTAB-SNPRPXQTSA-N 1 2 336.888 3.282 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1sccc1Cl ZINC001109246232 1367024363 /nfs/dbraw/zinc/02/43/63/1367024363.db2.gz SUKUDPIMZMSTAB-SNPRPXQTSA-N 1 2 336.888 3.282 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnc(Cl)c1 ZINC001109259911 1367030970 /nfs/dbraw/zinc/03/09/70/1367030970.db2.gz YJFCGKCLOBALAI-PMPSAXMXSA-N 1 2 345.874 3.006 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnc(Cl)c1 ZINC001109259911 1367030980 /nfs/dbraw/zinc/03/09/80/1367030980.db2.gz YJFCGKCLOBALAI-PMPSAXMXSA-N 1 2 345.874 3.006 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)CCC)[C@@H]2C1 ZINC001189568198 1367056165 /nfs/dbraw/zinc/05/61/65/1367056165.db2.gz CAIAPCOYFJBKTP-SOUVJXGZSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)CCC)[C@@H]2C1 ZINC001189568198 1367056169 /nfs/dbraw/zinc/05/61/69/1367056169.db2.gz CAIAPCOYFJBKTP-SOUVJXGZSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)CCCC)C1 ZINC001189973858 1367144372 /nfs/dbraw/zinc/14/43/72/1367144372.db2.gz RRGZSGNCYQIFDF-JSGCOSHPSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)CCCC)C1 ZINC001189973858 1367144377 /nfs/dbraw/zinc/14/43/77/1367144377.db2.gz RRGZSGNCYQIFDF-JSGCOSHPSA-N 1 2 331.298 3.254 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)NC2c3ccccc3-c3ccccc32)CC1 ZINC001190030739 1367156597 /nfs/dbraw/zinc/15/65/97/1367156597.db2.gz YRSQQTMJCFYZQB-UHFFFAOYSA-N 1 2 333.435 3.270 20 30 EGEDLO CC[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001109608305 1367230050 /nfs/dbraw/zinc/23/00/50/1367230050.db2.gz MOAPPNWOQSUDAZ-BDXSIMOUSA-N 1 2 348.849 3.161 20 30 EGEDLO CC[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001109608305 1367230100 /nfs/dbraw/zinc/23/01/00/1367230100.db2.gz MOAPPNWOQSUDAZ-BDXSIMOUSA-N 1 2 348.849 3.161 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2noc3c2CCCC3)C1 ZINC001190398305 1367253999 /nfs/dbraw/zinc/25/39/99/1367253999.db2.gz VESDGWNOHRTCLW-OAHLLOKOSA-N 1 2 345.487 3.188 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2noc3c2CCCC3)C1 ZINC001190398305 1367254003 /nfs/dbraw/zinc/25/40/03/1367254003.db2.gz VESDGWNOHRTCLW-OAHLLOKOSA-N 1 2 345.487 3.188 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2nc(C)sc2C)C1 ZINC001190398225 1367254046 /nfs/dbraw/zinc/25/40/46/1367254046.db2.gz SMVGJJHUBTYRCI-OAHLLOKOSA-N 1 2 335.517 3.395 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(C)sc2C)C1 ZINC001190398225 1367254052 /nfs/dbraw/zinc/25/40/52/1367254052.db2.gz SMVGJJHUBTYRCI-OAHLLOKOSA-N 1 2 335.517 3.395 20 30 EGEDLO CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109660114 1367268082 /nfs/dbraw/zinc/26/80/82/1367268082.db2.gz WYNPULWWMIQEBJ-NJAFHUGGSA-N 1 2 343.446 3.355 20 30 EGEDLO CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109660114 1367268090 /nfs/dbraw/zinc/26/80/90/1367268090.db2.gz WYNPULWWMIQEBJ-NJAFHUGGSA-N 1 2 343.446 3.355 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001109682109 1367279789 /nfs/dbraw/zinc/27/97/89/1367279789.db2.gz 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ZINC001112776300 1368996868 /nfs/dbraw/zinc/99/68/68/1368996868.db2.gz VOXQGQCXCYYGAV-UHFFFAOYSA-N 1 2 342.483 3.020 20 30 EGEDLO C=CCCOCC(=O)N1CCC[N@@H+](Cc2sccc2Cl)CC1 ZINC001198315923 1369007167 /nfs/dbraw/zinc/00/71/67/1369007167.db2.gz NKLVFCYEQSLFBJ-UHFFFAOYSA-N 1 2 342.892 3.029 20 30 EGEDLO C=CCCOCC(=O)N1CCC[N@H+](Cc2sccc2Cl)CC1 ZINC001198315923 1369007176 /nfs/dbraw/zinc/00/71/76/1369007176.db2.gz NKLVFCYEQSLFBJ-UHFFFAOYSA-N 1 2 342.892 3.029 20 30 EGEDLO C=CCCC(=O)N1CCC([C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001112810953 1369022199 /nfs/dbraw/zinc/02/21/99/1369022199.db2.gz CANZEFGIWZSIKU-GOSISDBHSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@@H+](Cc3cc(C)no3)CC2)CCCC1 ZINC001198417545 1369027918 /nfs/dbraw/zinc/02/79/18/1369027918.db2.gz MQQXUSGMGYNPCJ-UHFFFAOYSA-N 1 2 331.460 3.154 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@H+](Cc3cc(C)no3)CC2)CCCC1 ZINC001198417545 1369027924 /nfs/dbraw/zinc/02/79/24/1369027924.db2.gz MQQXUSGMGYNPCJ-UHFFFAOYSA-N 1 2 331.460 3.154 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@H+](Cc3ccns3)CC2)CCCC1 ZINC001198423580 1369029613 /nfs/dbraw/zinc/02/96/13/1369029613.db2.gz QKPVTUDNQCBEBQ-UHFFFAOYSA-N 1 2 333.501 3.314 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@@H+](Cc3ccns3)CC2)CCCC1 ZINC001198423580 1369029618 /nfs/dbraw/zinc/02/96/18/1369029618.db2.gz QKPVTUDNQCBEBQ-UHFFFAOYSA-N 1 2 333.501 3.314 20 30 EGEDLO CC(C)C#CC(=O)N1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC001112833069 1369034012 /nfs/dbraw/zinc/03/40/12/1369034012.db2.gz FOAYPEANAXIIEJ-LJQANCHMSA-N 1 2 328.431 3.007 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1ccccc1OC ZINC001198647363 1369081482 /nfs/dbraw/zinc/08/14/82/1369081482.db2.gz MOFJLMUYSKJNSZ-JSSFPYSZSA-N 1 2 348.874 3.241 20 30 EGEDLO C=CCOCCCC(=O)N[C@H](C)[C@@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001112953682 1369107661 /nfs/dbraw/zinc/10/76/61/1369107661.db2.gz BZZWYQDROSMJLL-HZPDHXFCSA-N 1 2 348.491 3.196 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H]([NH2+]CCF)c2ccccc2OC)CCC1 ZINC001198885466 1369139450 /nfs/dbraw/zinc/13/94/50/1369139450.db2.gz IRLAPSNMFRWQKD-MRXNPFEDSA-N 1 2 334.435 3.158 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CC12CCC2)c1ccccc1OC ZINC001198916406 1369148281 /nfs/dbraw/zinc/14/82/81/1369148281.db2.gz NDANWLXVWBJRQG-CVEARBPZSA-N 1 2 348.874 3.385 20 30 EGEDLO C=CCSc1ncccc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001199736818 1369264611 /nfs/dbraw/zinc/26/46/11/1369264611.db2.gz QPZUWTBLKKEOQO-ZDUSSCGKSA-N 1 2 328.441 3.103 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](CCOc2cccc(C)c2)CC1 ZINC001113246111 1369289092 /nfs/dbraw/zinc/28/90/92/1369289092.db2.gz GYUOAYIZCYHWDJ-SFHVURJKSA-N 1 2 330.472 3.120 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](CCc3ccccc3F)CC2)CCC1 ZINC001113312915 1369339278 /nfs/dbraw/zinc/33/92/78/1369339278.db2.gz XZRRJKLOZIGUFL-UHFFFAOYSA-N 1 2 330.447 3.259 20 30 EGEDLO CC[C@H](C)CCC(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001113451888 1369441383 /nfs/dbraw/zinc/44/13/83/1369441383.db2.gz PROUTZHQNMHULB-KRWDZBQOSA-N 1 2 343.471 3.059 20 30 EGEDLO CC[C@@H](CC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1)C(C)C ZINC001113560694 1369493736 /nfs/dbraw/zinc/49/37/36/1369493736.db2.gz URLGYMSFKHBILD-IBGZPJMESA-N 1 2 327.472 3.275 20 30 EGEDLO C#CCCCCC(=O)NC[C@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001113561223 1369494617 /nfs/dbraw/zinc/49/46/17/1369494617.db2.gz VXOOVPRYCZCGNE-INIZCTEOSA-N 1 2 330.476 3.043 20 30 EGEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+]([C@H](CC)c2ccc(F)cc2)CC1 ZINC001113713332 1369581345 /nfs/dbraw/zinc/58/13/45/1369581345.db2.gz ORSZQBWLSMJFDW-MAUKXSAKSA-N 1 2 334.435 3.012 20 30 EGEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+]([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC001113713393 1369581737 /nfs/dbraw/zinc/58/17/37/1369581737.db2.gz PMAIQKMQBBVNCQ-KSSFIOAISA-N 1 2 348.874 3.063 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001113822365 1369623725 /nfs/dbraw/zinc/62/37/25/1369623725.db2.gz OWQWDDWGAFVPDQ-HOTGVXAUSA-N 1 2 332.492 3.452 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N(C)CC[C@H](Nc1cc[nH+]c(C)n1)C(C)C ZINC001114090133 1369729168 /nfs/dbraw/zinc/72/91/68/1369729168.db2.gz YTIUHNFZAWVYQK-RDJZCZTQSA-N 1 2 348.491 3.051 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N[C@@H](CCCC)CNc1cc[nH+]c(C)n1)OCC ZINC001114286556 1369851516 /nfs/dbraw/zinc/85/15/16/1369851516.db2.gz PXUMQDPLVOJDKP-DLBZAZTESA-N 1 2 348.491 3.243 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H](CCCC)CNc1cc[nH+]c(C)n1 ZINC001114302549 1369868705 /nfs/dbraw/zinc/86/87/05/1369868705.db2.gz FDULMQPOZLZYQP-KRWDZBQOSA-N 1 2 330.476 3.456 20 30 EGEDLO C[N@@H+]1CCc2c(C#N)c(NC(=O)Nc3cccc(C#N)c3)sc2C1 ZINC001202778443 1369888514 /nfs/dbraw/zinc/88/85/14/1369888514.db2.gz YWQAZEUTBUWYGP-UHFFFAOYSA-N 1 2 337.408 3.123 20 30 EGEDLO C[N@H+]1CCc2c(C#N)c(NC(=O)Nc3cccc(C#N)c3)sc2C1 ZINC001202778443 1369888522 /nfs/dbraw/zinc/88/85/22/1369888522.db2.gz YWQAZEUTBUWYGP-UHFFFAOYSA-N 1 2 337.408 3.123 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CCC)C(C)C ZINC001114904620 1370139775 /nfs/dbraw/zinc/13/97/75/1370139775.db2.gz XKPFUSDEWWKBAA-BYNSBNAKSA-N 1 2 343.309 3.014 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CCC)C(C)C ZINC001114904620 1370139776 /nfs/dbraw/zinc/13/97/76/1370139776.db2.gz XKPFUSDEWWKBAA-BYNSBNAKSA-N 1 2 343.309 3.014 20 30 EGEDLO COc1cc(OC)c(OC)cc1C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001203488415 1370143534 /nfs/dbraw/zinc/14/35/34/1370143534.db2.gz NZYUOJCBUMHFLC-UHFFFAOYSA-N 1 2 338.407 3.142 20 30 EGEDLO COc1cc(OC)c(OC)cc1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001203488415 1370143537 /nfs/dbraw/zinc/14/35/37/1370143537.db2.gz NZYUOJCBUMHFLC-UHFFFAOYSA-N 1 2 338.407 3.142 20 30 EGEDLO CCCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nccn3C)C[C@H]21 ZINC001115163025 1370321858 /nfs/dbraw/zinc/32/18/58/1370321858.db2.gz AQKCKJCFFFHDMF-YRWFTTLQSA-N 1 2 346.519 3.107 20 30 EGEDLO CCCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nccn3C)C[C@H]21 ZINC001115163025 1370321861 /nfs/dbraw/zinc/32/18/61/1370321861.db2.gz AQKCKJCFFFHDMF-YRWFTTLQSA-N 1 2 346.519 3.107 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cc(C)on4)C[C@H]32)CCCCC1 ZINC001115277739 1370355979 /nfs/dbraw/zinc/35/59/79/1370355979.db2.gz GSHRNEYPIKWWQE-PIIMJCKOSA-N 1 2 343.471 3.056 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cc(C)on4)C[C@H]32)CCCCC1 ZINC001115277739 1370355986 /nfs/dbraw/zinc/35/59/86/1370355986.db2.gz GSHRNEYPIKWWQE-PIIMJCKOSA-N 1 2 343.471 3.056 20 30 EGEDLO C=C(C)[C@H](CC(=O)NCC[C@@H](Nc1cc[nH+]c(C)n1)C(C)C)OCC ZINC001115337781 1370394500 /nfs/dbraw/zinc/39/45/00/1370394500.db2.gz OMFARGDUKUNYRZ-SJORKVTESA-N 1 2 348.491 3.099 20 30 EGEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1Cc1cc(C)cc(C)c1 ZINC001204521278 1370502227 /nfs/dbraw/zinc/50/22/27/1370502227.db2.gz AUGZQAFVIYDSKO-LJQANCHMSA-N 1 2 340.471 3.217 20 30 EGEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1Cc1cc(C)cc(C)c1 ZINC001204521278 1370502233 /nfs/dbraw/zinc/50/22/33/1370502233.db2.gz AUGZQAFVIYDSKO-LJQANCHMSA-N 1 2 340.471 3.217 20 30 EGEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccc(C)c(F)c1)CC2 ZINC001205222167 1370686360 /nfs/dbraw/zinc/68/63/60/1370686360.db2.gz BVRXBKZODYHMDB-UHFFFAOYSA-N 1 2 329.419 3.129 20 30 EGEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccc(C)c(F)c1)CC2 ZINC001205222167 1370686366 /nfs/dbraw/zinc/68/63/66/1370686366.db2.gz BVRXBKZODYHMDB-UHFFFAOYSA-N 1 2 329.419 3.129 20 30 EGEDLO C=C(Cl)C[NH2+]C1(CNC(=O)c2cccc3nc[nH]c32)CCCCC1 ZINC001115785660 1370768261 /nfs/dbraw/zinc/76/82/61/1370768261.db2.gz JPFKGMYOFPGREF-UHFFFAOYSA-N 1 2 346.862 3.338 20 30 EGEDLO C#Cc1cccc(NC(=S)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC001116286773 1370878383 /nfs/dbraw/zinc/87/83/83/1370878383.db2.gz VUCQDRJVUOMZFZ-MRXNPFEDSA-N 1 2 338.480 3.053 20 30 EGEDLO CCCCCCCCCC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001187367360 1388099958 /nfs/dbraw/zinc/09/99/58/1388099958.db2.gz NMCSOGPYOSVLEG-MRXNPFEDSA-N 1 2 336.480 3.209 20 30 EGEDLO CCC[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187376868 1388100973 /nfs/dbraw/zinc/10/09/73/1388100973.db2.gz GORSZZHRXIJDGO-URLQWDBASA-N 1 2 343.446 3.166 20 30 EGEDLO CCC[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187376868 1388100974 /nfs/dbraw/zinc/10/09/74/1388100974.db2.gz GORSZZHRXIJDGO-URLQWDBASA-N 1 2 343.446 3.166 20 30 EGEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1cc(F)ccc1CC#N ZINC001206509886 1371078787 /nfs/dbraw/zinc/07/87/87/1371078787.db2.gz MVOQHQIMDXDKSB-UHFFFAOYSA-N 1 2 340.398 3.400 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ncc(C(C)(C)C)o2)C[C@H]1C ZINC001206544782 1371089241 /nfs/dbraw/zinc/08/92/41/1371089241.db2.gz MPDFGWRKDUMSPG-RBSFLKMASA-N 1 2 333.476 3.436 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ncc(C(C)(C)C)o2)C[C@H]1C ZINC001206544782 1371089246 /nfs/dbraw/zinc/08/92/46/1371089246.db2.gz MPDFGWRKDUMSPG-RBSFLKMASA-N 1 2 333.476 3.436 20 30 EGEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)c2Cl)C[C@H]1C ZINC001206659841 1371124477 /nfs/dbraw/zinc/12/44/77/1371124477.db2.gz SHEZTDWJAHSDNV-JTNHKYCSSA-N 1 2 340.254 3.090 20 30 EGEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)c2Cl)C[C@H]1C ZINC001206659841 1371124483 /nfs/dbraw/zinc/12/44/83/1371124483.db2.gz SHEZTDWJAHSDNV-JTNHKYCSSA-N 1 2 340.254 3.090 20 30 EGEDLO N#Cc1cnc2cc[nH]c(-c3ccc(C[NH+]4CCOCC4)cc3F)c1-2 ZINC001206678440 1371129766 /nfs/dbraw/zinc/12/97/66/1371129766.db2.gz VKFJWDCWNFDQFD-UHFFFAOYSA-N 1 2 336.370 3.073 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](Cc2csc(CCC)n2)C[C@H]1C ZINC001206884763 1371206377 /nfs/dbraw/zinc/20/63/77/1371206377.db2.gz DKHUWJAYLQJEMR-NVXWUHKLSA-N 1 2 347.528 3.226 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2csc(CCC)n2)C[C@H]1C ZINC001206884763 1371206382 /nfs/dbraw/zinc/20/63/82/1371206382.db2.gz DKHUWJAYLQJEMR-NVXWUHKLSA-N 1 2 347.528 3.226 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)OC2CCCCC2)C1 ZINC001206971710 1371252383 /nfs/dbraw/zinc/25/23/83/1371252383.db2.gz YKEKHRMMLHBQJE-KBRIMQKVSA-N 1 2 342.911 3.303 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)OC2CCCCC2)C1 ZINC001206971710 1371252388 /nfs/dbraw/zinc/25/23/88/1371252388.db2.gz YKEKHRMMLHBQJE-KBRIMQKVSA-N 1 2 342.911 3.303 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001207107522 1371295428 /nfs/dbraw/zinc/29/54/28/1371295428.db2.gz KIPQLOODIPYEKP-RHSMWYFYSA-N 1 2 347.528 3.410 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001207107522 1371295432 /nfs/dbraw/zinc/29/54/32/1371295432.db2.gz KIPQLOODIPYEKP-RHSMWYFYSA-N 1 2 347.528 3.410 20 30 EGEDLO C=CCN(CC[N@@H+]1CCC(=O)[C@@H]2CCCC[C@@H]21)C(=O)OC(C)(C)C ZINC001207199681 1371327630 /nfs/dbraw/zinc/32/76/30/1371327630.db2.gz PYGAAXONXRLJLR-CVEARBPZSA-N 1 2 336.476 3.243 20 30 EGEDLO C=CCN(CC[N@H+]1CCC(=O)[C@@H]2CCCC[C@@H]21)C(=O)OC(C)(C)C ZINC001207199681 1371327634 /nfs/dbraw/zinc/32/76/34/1371327634.db2.gz PYGAAXONXRLJLR-CVEARBPZSA-N 1 2 336.476 3.243 20 30 EGEDLO CC[C@H](CO)Nc1cc(N[C@H](CCC#N)c2ccccc2)nc[nH+]1 ZINC001120033696 1371463498 /nfs/dbraw/zinc/46/34/98/1371463498.db2.gz QXEWUPBZPODQCJ-HZPDHXFCSA-N 1 2 325.416 3.116 20 30 EGEDLO CC[C@H](CO)Nc1cc(N[C@H](CCC#N)c2ccccc2)[nH+]cn1 ZINC001120033696 1371463504 /nfs/dbraw/zinc/46/35/04/1371463504.db2.gz QXEWUPBZPODQCJ-HZPDHXFCSA-N 1 2 325.416 3.116 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C(CC)CC)C1 ZINC001207767589 1371498622 /nfs/dbraw/zinc/49/86/22/1371498622.db2.gz ZYOGJKVZOFAUHG-OSAQELSMSA-N 1 2 345.325 3.404 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C(CC)CC)C1 ZINC001207767589 1371498625 /nfs/dbraw/zinc/49/86/25/1371498625.db2.gz ZYOGJKVZOFAUHG-OSAQELSMSA-N 1 2 345.325 3.404 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2nc(C(C)C)no2)C1 ZINC001207863375 1371523519 /nfs/dbraw/zinc/52/35/19/1371523519.db2.gz NCGHQJJXEAMYTE-HZPDHXFCSA-N 1 2 346.475 3.028 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@H]([NH2+][C@H](C)c2nc(C(C)C)no2)C1 ZINC001207863373 1371523552 /nfs/dbraw/zinc/52/35/52/1371523552.db2.gz NCGHQJJXEAMYTE-CVEARBPZSA-N 1 2 346.475 3.028 20 30 EGEDLO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCn3cc(Cn4cccn4)nc3C2)CC1 ZINC001208174565 1371617599 /nfs/dbraw/zinc/61/75/99/1371617599.db2.gz FUEDHILEKDMKJX-GOSISDBHSA-N 1 2 337.471 3.246 20 30 EGEDLO C=C(C)[C@@H]1CC=C(C[N@H+]2CCn3cc(Cn4cccn4)nc3C2)CC1 ZINC001208174565 1371617603 /nfs/dbraw/zinc/61/76/03/1371617603.db2.gz FUEDHILEKDMKJX-GOSISDBHSA-N 1 2 337.471 3.246 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nc(C3CC3)no2)C1 ZINC001208244527 1371679324 /nfs/dbraw/zinc/67/93/24/1371679324.db2.gz AXCBEMVDAKOEOB-ZFWWWQNUSA-N 1 2 346.475 3.191 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC001208247152 1371679670 /nfs/dbraw/zinc/67/96/70/1371679670.db2.gz WQKGLPOBJJTWNJ-CQSZACIVSA-N 1 2 348.491 3.050 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2noc3c2CCCC3)C[C@H]1C ZINC001208292157 1371704145 /nfs/dbraw/zinc/70/41/45/1371704145.db2.gz LFMOTTHGDZEURS-GDBMZVCRSA-N 1 2 345.487 3.092 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2noc3c2CCCC3)C[C@H]1C ZINC001208292157 1371704152 /nfs/dbraw/zinc/70/41/52/1371704152.db2.gz LFMOTTHGDZEURS-GDBMZVCRSA-N 1 2 345.487 3.092 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)CCCC1CC1 ZINC001208366454 1371736313 /nfs/dbraw/zinc/73/63/13/1371736313.db2.gz CCWOZZXGCHGMTK-AUUYWEPGSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)CCCC1CC1 ZINC001208366454 1371736319 /nfs/dbraw/zinc/73/63/19/1371736319.db2.gz CCWOZZXGCHGMTK-AUUYWEPGSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208392693 1371750319 /nfs/dbraw/zinc/75/03/19/1371750319.db2.gz BHSBVYGGJCOZRM-ZRGWGRIASA-N 1 2 343.446 3.236 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208392693 1371750326 /nfs/dbraw/zinc/75/03/26/1371750326.db2.gz BHSBVYGGJCOZRM-ZRGWGRIASA-N 1 2 343.446 3.236 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001208395781 1371753218 /nfs/dbraw/zinc/75/32/18/1371753218.db2.gz FUDSTKKLAUAQIJ-JFIYKMOQSA-N 1 2 332.492 3.003 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001208395781 1371753223 /nfs/dbraw/zinc/75/32/23/1371753223.db2.gz FUDSTKKLAUAQIJ-JFIYKMOQSA-N 1 2 332.492 3.003 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3ccco3)on2)C[C@H]1C ZINC001208452682 1371771764 /nfs/dbraw/zinc/77/17/64/1371771764.db2.gz XQDSUJXXQBOORH-GDBMZVCRSA-N 1 2 343.427 3.227 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(-c3ccco3)on2)C[C@H]1C ZINC001208452682 1371771767 /nfs/dbraw/zinc/77/17/67/1371771767.db2.gz XQDSUJXXQBOORH-GDBMZVCRSA-N 1 2 343.427 3.227 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(Cl)nc3)C[C@H]2C)CCC1 ZINC001208497945 1371787365 /nfs/dbraw/zinc/78/73/65/1371787365.db2.gz HJDNCNYBIOUMPT-GDBMZVCRSA-N 1 2 347.890 3.418 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(Cl)nc3)C[C@H]2C)CCC1 ZINC001208497945 1371787376 /nfs/dbraw/zinc/78/73/76/1371787376.db2.gz HJDNCNYBIOUMPT-GDBMZVCRSA-N 1 2 347.890 3.418 20 30 EGEDLO CCn1c[nH+]c2c1CCN(c1cc(C(F)(F)F)c(F)cc1C#N)C2 ZINC001120876652 1371793006 /nfs/dbraw/zinc/79/30/06/1371793006.db2.gz ITXJJWJDCUYVBT-UHFFFAOYSA-N 1 2 338.308 3.495 20 30 EGEDLO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1CCCc1cccc(C#N)c1 ZINC001208850952 1371918174 /nfs/dbraw/zinc/91/81/74/1371918174.db2.gz PNCPLUQJKBRWMN-HXUWFJFHSA-N 1 2 334.419 3.091 20 30 EGEDLO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1CCCc1cccc(C#N)c1 ZINC001208850952 1371918176 /nfs/dbraw/zinc/91/81/76/1371918176.db2.gz PNCPLUQJKBRWMN-HXUWFJFHSA-N 1 2 334.419 3.091 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1CCc1cc(F)cc(F)c1 ZINC001209136252 1372011114 /nfs/dbraw/zinc/01/11/14/1372011114.db2.gz MEJUHWVUHUHHGO-GOSISDBHSA-N 1 2 347.409 3.043 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1CCc1cc(F)cc(F)c1 ZINC001209136252 1372011116 /nfs/dbraw/zinc/01/11/16/1372011116.db2.gz MEJUHWVUHUHHGO-GOSISDBHSA-N 1 2 347.409 3.043 20 30 EGEDLO CC(C)(C)C#CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(F)cc3F)C[C@H]21 ZINC001187833349 1388174445 /nfs/dbraw/zinc/17/44/45/1388174445.db2.gz LWIUJZUICRBORO-MAUKXSAKSA-N 1 2 346.421 3.047 20 30 EGEDLO CC(C)(C)C#CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(F)cc3F)C[C@H]21 ZINC001187833349 1388174447 /nfs/dbraw/zinc/17/44/47/1388174447.db2.gz LWIUJZUICRBORO-MAUKXSAKSA-N 1 2 346.421 3.047 20 30 EGEDLO C=CCCC1(C(=O)N2CCC[C@H]([NH2+]Cc3nc(C(C)C)no3)C2)CC1 ZINC001209492226 1372120321 /nfs/dbraw/zinc/12/03/21/1372120321.db2.gz ACPLEDPPELZHKR-HNNXBMFYSA-N 1 2 346.475 3.020 20 30 EGEDLO CCOC(=O)c1c(C)[nH]c(C[N@@H+]2CCc3ccc(C#N)cc3C2)c1C ZINC001209601832 1372148649 /nfs/dbraw/zinc/14/86/49/1372148649.db2.gz FVOMWXOGOFFRQB-UHFFFAOYSA-N 1 2 337.423 3.238 20 30 EGEDLO CCOC(=O)c1c(C)[nH]c(C[N@H+]2CCc3ccc(C#N)cc3C2)c1C ZINC001209601832 1372148653 /nfs/dbraw/zinc/14/86/53/1372148653.db2.gz FVOMWXOGOFFRQB-UHFFFAOYSA-N 1 2 337.423 3.238 20 30 EGEDLO N#Cc1ccc(Cl)nc1Nc1ccccc1C[NH+]1CCOCC1 ZINC001209925948 1372232386 /nfs/dbraw/zinc/23/23/86/1372232386.db2.gz JMSWXWRQMIDYAD-UHFFFAOYSA-N 1 2 328.803 3.182 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H]1CSC ZINC001122536931 1372269353 /nfs/dbraw/zinc/26/93/53/1372269353.db2.gz ODNYYQIKWZSOLJ-HZPDHXFCSA-N 1 2 349.548 3.343 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H]1CSC ZINC001122536931 1372269360 /nfs/dbraw/zinc/26/93/60/1372269360.db2.gz ODNYYQIKWZSOLJ-HZPDHXFCSA-N 1 2 349.548 3.343 20 30 EGEDLO CC(C)(C)c1cc(CN2CC[NH2+]C[C@@H]2C#N)cc(C(C)(C)C)c1O ZINC001210123013 1372276223 /nfs/dbraw/zinc/27/62/23/1372276223.db2.gz XTZKILXEBGKEOC-HNNXBMFYSA-N 1 2 329.488 3.285 20 30 EGEDLO N#Cc1ncccc1Nc1cc[nH+]c2ccc(Br)cc12 ZINC001210141644 1372280159 /nfs/dbraw/zinc/28/01/59/1372280159.db2.gz CCPWEWNBZBZCOV-UHFFFAOYSA-N 1 2 325.169 3.429 20 30 EGEDLO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)OCc2ccc(C#N)cn2)c1 ZINC001122955844 1372347870 /nfs/dbraw/zinc/34/78/70/1372347870.db2.gz UYCLIZUERGZMGS-HXUWFJFHSA-N 1 2 349.434 3.360 20 30 EGEDLO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)OCc2ccc(C#N)cn2)c1 ZINC001122955844 1372347872 /nfs/dbraw/zinc/34/78/72/1372347872.db2.gz UYCLIZUERGZMGS-HXUWFJFHSA-N 1 2 349.434 3.360 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001123102191 1372380446 /nfs/dbraw/zinc/38/04/46/1372380446.db2.gz ZMHVDNZLDUSXFH-GOEBONIOSA-N 1 2 328.460 3.420 20 30 EGEDLO C#CCCCCC(=O)N1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001123205360 1372397125 /nfs/dbraw/zinc/39/71/25/1372397125.db2.gz ZQPVDIZCGCFMHT-WBVHZDCISA-N 1 2 340.471 3.257 20 30 EGEDLO C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001187978266 1388203791 /nfs/dbraw/zinc/20/37/91/1388203791.db2.gz GYZLVZLMHYLQDY-BFHYXJOUSA-N 1 2 336.373 3.166 20 30 EGEDLO C=CCCC(=O)N[C@]12CCC[C@@H]1N(c1cc(C)[nH+]c(C3CC3)n1)CC2 ZINC001123384845 1372449814 /nfs/dbraw/zinc/44/98/14/1372449814.db2.gz FYTOAMZOTRIPID-JXFKEZNVSA-N 1 2 340.471 3.246 20 30 EGEDLO C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001187978266 1388203795 /nfs/dbraw/zinc/20/37/95/1388203795.db2.gz GYZLVZLMHYLQDY-BFHYXJOUSA-N 1 2 336.373 3.166 20 30 EGEDLO Cc1cc(N2CCC[C@@H](NC(=O)C#CC(C)C)[C@H]2C)nc(C(C)C)[nH+]1 ZINC001123568511 1372509615 /nfs/dbraw/zinc/50/96/15/1372509615.db2.gz DTQYRAVDCQBEKK-IAGOWNOFSA-N 1 2 342.487 3.041 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)[C@H]1C ZINC001123578217 1372514127 /nfs/dbraw/zinc/51/41/27/1372514127.db2.gz VKEWFWYDRXVRRN-JKSUJKDBSA-N 1 2 330.476 3.348 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2ccccc2C)C1 ZINC001211399308 1372551543 /nfs/dbraw/zinc/55/15/43/1372551543.db2.gz NAMLNXAFFHZXFN-HDMKZQKVSA-N 1 2 334.891 3.363 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2ccccc2C)C1 ZINC001211399308 1372551548 /nfs/dbraw/zinc/55/15/48/1372551548.db2.gz NAMLNXAFFHZXFN-HDMKZQKVSA-N 1 2 334.891 3.363 20 30 EGEDLO Cc1cc(NC[C@H]2CC[C@H](NC(=O)C#CC(C)C)C2)nc(C(C)C)[nH+]1 ZINC001123784853 1372588096 /nfs/dbraw/zinc/58/80/96/1372588096.db2.gz MZHSZXFOPVUMCF-IRXDYDNUSA-N 1 2 342.487 3.265 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@@H+](Cc3nc(C)c(C)o3)C[C@H]21 ZINC001188012340 1388213590 /nfs/dbraw/zinc/21/35/90/1388213590.db2.gz KDMMYBDBLGYXCJ-ZWKOTPCHSA-N 1 2 343.471 3.093 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@H+](Cc3nc(C)c(C)o3)C[C@H]21 ZINC001188012340 1388213593 /nfs/dbraw/zinc/21/35/93/1388213593.db2.gz KDMMYBDBLGYXCJ-ZWKOTPCHSA-N 1 2 343.471 3.093 20 30 EGEDLO N#Cc1cccc(C(F)(F)F)c1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212670257 1372749116 /nfs/dbraw/zinc/74/91/16/1372749116.db2.gz OJLGQVNVPVVCKJ-UHFFFAOYSA-N 1 2 347.340 3.497 20 30 EGEDLO COC(=O)c1scc(C#N)c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212694363 1372755247 /nfs/dbraw/zinc/75/52/47/1372755247.db2.gz XXRJJRDFBLJCDZ-UHFFFAOYSA-N 1 2 338.392 3.395 20 30 EGEDLO CCOC(=O)c1ccc2[nH+]ccc(Nc3ccc(N)c(C#N)c3)c2c1 ZINC001213431116 1372905245 /nfs/dbraw/zinc/90/52/45/1372905245.db2.gz DTHKXPJMHFNCAG-UHFFFAOYSA-N 1 2 332.363 3.031 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H](C)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001126753188 1373012766 /nfs/dbraw/zinc/01/27/66/1373012766.db2.gz ABCMJFLZYGRISZ-INIZCTEOSA-N 1 2 344.503 3.479 20 30 EGEDLO C=CCCCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC001215427979 1373206321 /nfs/dbraw/zinc/20/63/21/1373206321.db2.gz SMAXUUYYSCEHPN-RBSFLKMASA-N 1 2 348.491 3.221 20 30 EGEDLO Cc1nc(Nc2cccc(C#N)c2C)cc(N2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC001216173637 1373274293 /nfs/dbraw/zinc/27/42/93/1373274293.db2.gz ZUHGBVGYRYGNCB-STQMWFEESA-N 1 2 337.427 3.322 20 30 EGEDLO C=CCC1(C(=O)NCc2cnn3c2C[N@H+](C(C)C)CC3)CCCCC1 ZINC001128585848 1373293729 /nfs/dbraw/zinc/29/37/29/1373293729.db2.gz CBDCAYLCERQYFD-UHFFFAOYSA-N 1 2 344.503 3.250 20 30 EGEDLO C=CCC1(C(=O)NCc2cnn3c2C[N@@H+](C(C)C)CC3)CCCCC1 ZINC001128585848 1373293732 /nfs/dbraw/zinc/29/37/32/1373293732.db2.gz CBDCAYLCERQYFD-UHFFFAOYSA-N 1 2 344.503 3.250 20 30 EGEDLO COc1cc(C#N)ccc1-c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001216904528 1373361760 /nfs/dbraw/zinc/36/17/60/1373361760.db2.gz ABGKYHSQAUYQOB-UHFFFAOYSA-N 1 2 343.346 3.470 20 30 EGEDLO Cn1c[nH+]cc1-c1cccc(-c2nc(-c3ccc(C#N)cn3)no2)c1 ZINC001217018918 1373378842 /nfs/dbraw/zinc/37/88/42/1373378842.db2.gz CMYVWOHMGOHXPO-UHFFFAOYSA-N 1 2 328.335 3.071 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)CCCC1CC1)C[C@@H](C)O2 ZINC001131672802 1373755253 /nfs/dbraw/zinc/75/52/53/1373755253.db2.gz BBIKMJCBGUDYDU-QAPCUYQASA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CCCC1CC1)C[C@@H](C)O2 ZINC001131672802 1373755256 /nfs/dbraw/zinc/75/52/56/1373755256.db2.gz BBIKMJCBGUDYDU-QAPCUYQASA-N 1 2 340.895 3.011 20 30 EGEDLO CCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001131746280 1373782854 /nfs/dbraw/zinc/78/28/54/1373782854.db2.gz BMEMQEYROFBMLV-DOTOQJQBSA-N 1 2 332.875 3.461 20 30 EGEDLO CCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001131746280 1373782857 /nfs/dbraw/zinc/78/28/57/1373782857.db2.gz BMEMQEYROFBMLV-DOTOQJQBSA-N 1 2 332.875 3.461 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)CC(F)(F)F)[C@@H]2C1 ZINC001221953078 1373807550 /nfs/dbraw/zinc/80/75/50/1373807550.db2.gz SLXHMOMXLAWATJ-JHJVBQTASA-N 1 2 338.801 3.250 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)CC(F)(F)F)[C@@H]2C1 ZINC001221953078 1373807556 /nfs/dbraw/zinc/80/75/56/1373807556.db2.gz SLXHMOMXLAWATJ-JHJVBQTASA-N 1 2 338.801 3.250 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001131959606 1375070534 /nfs/dbraw/zinc/07/05/34/1375070534.db2.gz GPZOOIAGNZXWBX-PBHICJAKSA-N 1 2 329.419 3.291 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001131959606 1375070538 /nfs/dbraw/zinc/07/05/38/1375070538.db2.gz GPZOOIAGNZXWBX-PBHICJAKSA-N 1 2 329.419 3.291 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001131961465 1375072472 /nfs/dbraw/zinc/07/24/72/1375072472.db2.gz VMCFWMYXSOVZPR-CJNGLKHVSA-N 1 2 347.409 3.430 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001131961465 1375072475 /nfs/dbraw/zinc/07/24/75/1375072475.db2.gz VMCFWMYXSOVZPR-CJNGLKHVSA-N 1 2 347.409 3.430 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccncc2Cl)C1 ZINC001131971015 1375075852 /nfs/dbraw/zinc/07/58/52/1375075852.db2.gz APGIOQFGLFFWHC-NVXWUHKLSA-N 1 2 347.890 3.398 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccncc2Cl)C1 ZINC001131971015 1375075856 /nfs/dbraw/zinc/07/58/56/1375075856.db2.gz APGIOQFGLFFWHC-NVXWUHKLSA-N 1 2 347.890 3.398 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001131977446 1375079227 /nfs/dbraw/zinc/07/92/27/1375079227.db2.gz XKIGYNCUZFFBSX-QZTJIDSGSA-N 1 2 344.503 3.127 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001131977446 1375079228 /nfs/dbraw/zinc/07/92/28/1375079228.db2.gz XKIGYNCUZFFBSX-QZTJIDSGSA-N 1 2 344.503 3.127 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2csc(CCC)n2)C1 ZINC001132001949 1375092919 /nfs/dbraw/zinc/09/29/19/1375092919.db2.gz FWRPMKBIBQEJNO-HOTGVXAUSA-N 1 2 347.528 3.368 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2csc(CCC)n2)C1 ZINC001132001949 1375092922 /nfs/dbraw/zinc/09/29/22/1375092922.db2.gz FWRPMKBIBQEJNO-HOTGVXAUSA-N 1 2 347.528 3.368 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001132003259 1375093984 /nfs/dbraw/zinc/09/39/84/1375093984.db2.gz RVTLFEZLMBAWIV-PBHICJAKSA-N 1 2 334.410 3.237 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc(F)ccc2F)C1 ZINC001132003259 1375093990 /nfs/dbraw/zinc/09/39/90/1375093990.db2.gz RVTLFEZLMBAWIV-PBHICJAKSA-N 1 2 334.410 3.237 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccc(F)cc2F)C1 ZINC001132018216 1375100765 /nfs/dbraw/zinc/10/07/65/1375100765.db2.gz VOXYBWVWPUDSKU-YOEHRIQHSA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(F)cc2F)C1 ZINC001132018216 1375100769 /nfs/dbraw/zinc/10/07/69/1375100769.db2.gz VOXYBWVWPUDSKU-YOEHRIQHSA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC001132021065 1375102165 /nfs/dbraw/zinc/10/21/65/1375102165.db2.gz KQTAINARCCQCMP-GOEBONIOSA-N 1 2 348.874 3.174 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001132021065 1375102167 /nfs/dbraw/zinc/10/21/67/1375102167.db2.gz KQTAINARCCQCMP-GOEBONIOSA-N 1 2 348.874 3.174 20 30 EGEDLO CC(C)c1ocnc1C[N@@H+]1C[C@H](NC(=O)C#CC(C)(C)C)CC[C@H]1C ZINC001132034064 1375108314 /nfs/dbraw/zinc/10/83/14/1375108314.db2.gz NPJASJZSUZECFV-HZPDHXFCSA-N 1 2 345.487 3.317 20 30 EGEDLO CC(C)c1ocnc1C[N@H+]1C[C@H](NC(=O)C#CC(C)(C)C)CC[C@H]1C ZINC001132034064 1375108315 /nfs/dbraw/zinc/10/83/15/1375108315.db2.gz NPJASJZSUZECFV-HZPDHXFCSA-N 1 2 345.487 3.317 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1cc(C2CC2)no1 ZINC001132039266 1375112367 /nfs/dbraw/zinc/11/23/67/1375112367.db2.gz XUQKOWXMFZGLQY-HOCLYGCPSA-N 1 2 343.471 3.071 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1cc(C2CC2)no1 ZINC001132039266 1375112368 /nfs/dbraw/zinc/11/23/68/1375112368.db2.gz XUQKOWXMFZGLQY-HOCLYGCPSA-N 1 2 343.471 3.071 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ncc(CC)o2)C1 ZINC001132067972 1375130179 /nfs/dbraw/zinc/13/01/79/1375130179.db2.gz BYXDEHVPTAEMRE-HUUCEWRRSA-N 1 2 333.476 3.308 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ncc(CC)o2)C1 ZINC001132067972 1375130182 /nfs/dbraw/zinc/13/01/82/1375130182.db2.gz BYXDEHVPTAEMRE-HUUCEWRRSA-N 1 2 333.476 3.308 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC2(C(F)(F)F)CC2)CC[C@@H]1C ZINC001132094761 1375143147 /nfs/dbraw/zinc/14/31/47/1375143147.db2.gz PEUWKQAPDIQZQT-RYUDHWBXSA-N 1 2 338.801 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC2(C(F)(F)F)CC2)CC[C@@H]1C ZINC001132094761 1375143148 /nfs/dbraw/zinc/14/31/48/1375143148.db2.gz PEUWKQAPDIQZQT-RYUDHWBXSA-N 1 2 338.801 3.441 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2cccc([N+](=O)[O-])c2F)C1 ZINC001225796915 1375156953 /nfs/dbraw/zinc/15/69/53/1375156953.db2.gz NLCGPSJQHZUSHV-OAHLLOKOSA-N 1 2 341.342 3.259 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2cccc([N+](=O)[O-])c2F)C1 ZINC001225796915 1375156954 /nfs/dbraw/zinc/15/69/54/1375156954.db2.gz NLCGPSJQHZUSHV-OAHLLOKOSA-N 1 2 341.342 3.259 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)COC2CCCCC2)CC[C@@H]1C ZINC001132150581 1375172036 /nfs/dbraw/zinc/17/20/36/1375172036.db2.gz STJBRUUACWUBJP-GJZGRUSLSA-N 1 2 328.884 3.057 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)COC2CCCCC2)CC[C@@H]1C ZINC001132150581 1375172039 /nfs/dbraw/zinc/17/20/39/1375172039.db2.gz STJBRUUACWUBJP-GJZGRUSLSA-N 1 2 328.884 3.057 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2F)C1 ZINC001225942997 1375178060 /nfs/dbraw/zinc/17/80/60/1375178060.db2.gz VWYAAJNUTMDGQV-MRXNPFEDSA-N 1 2 341.342 3.259 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2F)C1 ZINC001225942997 1375178062 /nfs/dbraw/zinc/17/80/62/1375178062.db2.gz VWYAAJNUTMDGQV-MRXNPFEDSA-N 1 2 341.342 3.259 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccncc2Cl)C1 ZINC001132219098 1375217787 /nfs/dbraw/zinc/21/77/87/1375217787.db2.gz ZUEXFRMYKFAVEK-HIFRSBDPSA-N 1 2 335.879 3.416 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccncc2Cl)C1 ZINC001132219098 1375217791 /nfs/dbraw/zinc/21/77/91/1375217791.db2.gz ZUEXFRMYKFAVEK-HIFRSBDPSA-N 1 2 335.879 3.416 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2nc(C)oc2C)C1 ZINC001132221429 1375217815 /nfs/dbraw/zinc/21/78/15/1375217815.db2.gz HTKILGNBLAJDLL-BBRMVZONSA-N 1 2 333.476 3.363 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2nc(C)oc2C)C1 ZINC001132221429 1375217817 /nfs/dbraw/zinc/21/78/17/1375217817.db2.gz HTKILGNBLAJDLL-BBRMVZONSA-N 1 2 333.476 3.363 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ncc(C)o2)C1 ZINC001132228241 1375224498 /nfs/dbraw/zinc/22/44/98/1375224498.db2.gz NYNYSCLMUMXAJY-RDJZCZTQSA-N 1 2 331.460 3.036 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ncc(C)o2)C1 ZINC001132228241 1375224501 /nfs/dbraw/zinc/22/45/01/1375224501.db2.gz NYNYSCLMUMXAJY-RDJZCZTQSA-N 1 2 331.460 3.036 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ncc(CC)o2)C1 ZINC001132228430 1375224651 /nfs/dbraw/zinc/22/46/51/1375224651.db2.gz QNBAEBGERULRHL-SJORKVTESA-N 1 2 345.487 3.290 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ncc(CC)o2)C1 ZINC001132228430 1375224656 /nfs/dbraw/zinc/22/46/56/1375224656.db2.gz QNBAEBGERULRHL-SJORKVTESA-N 1 2 345.487 3.290 20 30 EGEDLO CC/C=C(/C)C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001226369804 1375248101 /nfs/dbraw/zinc/24/81/01/1375248101.db2.gz QTXAGFCOJKJYOF-CPSFFCFKSA-N 1 2 329.419 3.134 20 30 EGEDLO C=CCCC(=O)NC1CC[NH+](Cc2noc3c2CC(C)(C)CC3)CC1 ZINC001226535787 1375278275 /nfs/dbraw/zinc/27/82/75/1375278275.db2.gz YBORXGJULDXANU-UHFFFAOYSA-N 1 2 345.487 3.236 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001132327783 1375306781 /nfs/dbraw/zinc/30/67/81/1375306781.db2.gz VMIQUSIXMJNUMJ-XJKSGUPXSA-N 1 2 333.476 3.363 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001132327783 1375306783 /nfs/dbraw/zinc/30/67/83/1375306783.db2.gz VMIQUSIXMJNUMJ-XJKSGUPXSA-N 1 2 333.476 3.363 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(F)cn2)C1 ZINC001132330517 1375310735 /nfs/dbraw/zinc/31/07/35/1375310735.db2.gz IRPNNYVIMNKPDA-WMLDXEAASA-N 1 2 333.451 3.292 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(F)cn2)C1 ZINC001132330517 1375310745 /nfs/dbraw/zinc/31/07/45/1375310745.db2.gz IRPNNYVIMNKPDA-WMLDXEAASA-N 1 2 333.451 3.292 20 30 EGEDLO C#CCCCC(=O)NC1CC[NH+]([C@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC001227107732 1375391118 /nfs/dbraw/zinc/39/11/18/1375391118.db2.gz HNGMYKKJMBIIDA-OAHLLOKOSA-N 1 2 345.487 3.417 20 30 EGEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(-c4ccc(O)cc4)cc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227364789 1375423519 /nfs/dbraw/zinc/42/35/19/1375423519.db2.gz XHAKEZYIUHWTAW-MXHDYAKMSA-N 1 2 341.382 3.190 20 30 EGEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(-c4ccc(O)cc4)cc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227364789 1375423522 /nfs/dbraw/zinc/42/35/22/1375423522.db2.gz XHAKEZYIUHWTAW-MXHDYAKMSA-N 1 2 341.382 3.190 20 30 EGEDLO C=CCc1cc(OC)c(OC2C[NH+](C(C)(C)C)C2)c(C(=O)OC)c1 ZINC001228245119 1375532737 /nfs/dbraw/zinc/53/27/37/1375532737.db2.gz NMPDAGSCWZHLNX-UHFFFAOYSA-N 1 2 333.428 3.072 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H](C)c2noc(C)n2)CCC1 ZINC001228406790 1375566926 /nfs/dbraw/zinc/56/69/26/1375566926.db2.gz RPNNAHCFTZENCF-NUEKZKHPSA-N 1 2 346.475 3.202 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC001229016925 1375738498 /nfs/dbraw/zinc/73/84/98/1375738498.db2.gz NVJMPGCHAHPGNM-GOSISDBHSA-N 1 2 335.517 3.388 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C(C)C)o3)C[C@H]21 ZINC001188884228 1388399242 /nfs/dbraw/zinc/39/92/42/1388399242.db2.gz DHGRYZLRGNOYGF-IXDOHACOSA-N 1 2 345.487 3.433 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C(C)C)o3)C[C@H]21 ZINC001188884228 1388399245 /nfs/dbraw/zinc/39/92/45/1388399245.db2.gz DHGRYZLRGNOYGF-IXDOHACOSA-N 1 2 345.487 3.433 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C)s3)C[C@H]21 ZINC001188884195 1388399528 /nfs/dbraw/zinc/39/95/28/1388399528.db2.gz DABLWJZBOAPGNO-CWRNSKLLSA-N 1 2 333.501 3.087 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C)s3)C[C@H]21 ZINC001188884195 1388399532 /nfs/dbraw/zinc/39/95/32/1388399532.db2.gz DABLWJZBOAPGNO-CWRNSKLLSA-N 1 2 333.501 3.087 20 30 EGEDLO C=CCC(C)(C)C(=O)NC1CC[NH+](Cc2ncc(C(C)C)o2)CC1 ZINC001229368924 1375820238 /nfs/dbraw/zinc/82/02/38/1375820238.db2.gz FNIFJUQJPFNGND-UHFFFAOYSA-N 1 2 333.476 3.481 20 30 EGEDLO C=CCC(C)(C)C(=O)NC1CC[NH+](Cc2nc3c(o2)CCCC3)CC1 ZINC001229368836 1375820250 /nfs/dbraw/zinc/82/02/50/1375820250.db2.gz COCCYIBTLJWKGD-UHFFFAOYSA-N 1 2 345.487 3.236 20 30 EGEDLO C[N@@H+]1CCO[C@H](COc2ccccc2C=Nc2ccc(F)cc2)C1 ZINC001229375380 1375822654 /nfs/dbraw/zinc/82/26/54/1375822654.db2.gz BWVNLKICSPDZGV-SFHVURJKSA-N 1 2 328.387 3.286 20 30 EGEDLO C[N@H+]1CCO[C@H](COc2ccccc2C=Nc2ccc(F)cc2)C1 ZINC001229375380 1375822659 /nfs/dbraw/zinc/82/26/59/1375822659.db2.gz BWVNLKICSPDZGV-SFHVURJKSA-N 1 2 328.387 3.286 20 30 EGEDLO C=CC[C@H](C(=O)NC1CC[NH+](Cc2ccon2)CC1)c1ccccc1 ZINC001230324496 1375997011 /nfs/dbraw/zinc/99/70/11/1375997011.db2.gz QLFONOHTKAYRRC-IBGZPJMESA-N 1 2 339.439 3.115 20 30 EGEDLO C=CCC1(C(=O)NC2CC[NH+](Cc3ccn(C)n3)CC2)CCCCC1 ZINC001230332133 1375999229 /nfs/dbraw/zinc/99/92/29/1375999229.db2.gz TYYOWLJMHWSYKD-UHFFFAOYSA-N 1 2 344.503 3.027 20 30 EGEDLO C=C(Cl)C[N@@H+](CCCNC(=O)[C@@H]1C[C@@H]1C(C)C)Cc1cccnc1 ZINC001230881684 1376176147 /nfs/dbraw/zinc/17/61/47/1376176147.db2.gz JNIAEBRIXWOVEI-QZTJIDSGSA-N 1 2 349.906 3.435 20 30 EGEDLO C=C(Cl)C[N@H+](CCCNC(=O)[C@@H]1C[C@@H]1C(C)C)Cc1cccnc1 ZINC001230881684 1376176153 /nfs/dbraw/zinc/17/61/53/1376176153.db2.gz JNIAEBRIXWOVEI-QZTJIDSGSA-N 1 2 349.906 3.435 20 30 EGEDLO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1)C1CC1 ZINC001231412456 1376235725 /nfs/dbraw/zinc/23/57/25/1376235725.db2.gz CKZYOWBMMSCPAK-BEFAXECRSA-N 1 2 344.886 3.270 20 30 EGEDLO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1)C1CC1 ZINC001231412456 1376235739 /nfs/dbraw/zinc/23/57/39/1376235739.db2.gz CKZYOWBMMSCPAK-BEFAXECRSA-N 1 2 344.886 3.270 20 30 EGEDLO COc1cc(F)ccc1C[NH+]1CCN(c2cccc(C#N)c2)CC1 ZINC001231607850 1376281125 /nfs/dbraw/zinc/28/11/25/1376281125.db2.gz INOZLMMGUYESHQ-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO Cc1cccc(O[C@@H]2CCC[N@H+](Cc3cc(F)ccc3C#N)C2)n1 ZINC001232892319 1376535948 /nfs/dbraw/zinc/53/59/48/1376535948.db2.gz HSMNCWWNOUPWTA-GOSISDBHSA-N 1 2 325.387 3.444 20 30 EGEDLO Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3cc(F)ccc3C#N)C2)n1 ZINC001232892319 1376535953 /nfs/dbraw/zinc/53/59/53/1376535953.db2.gz HSMNCWWNOUPWTA-GOSISDBHSA-N 1 2 325.387 3.444 20 30 EGEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2O)CCN1C(=O)OC(C)(C)C ZINC001233386391 1376634088 /nfs/dbraw/zinc/63/40/88/1376634088.db2.gz RSXMMMGWOQNUFW-INIZCTEOSA-N 1 2 345.443 3.095 20 30 EGEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2O)CCN1C(=O)OC(C)(C)C ZINC001233386391 1376634093 /nfs/dbraw/zinc/63/40/93/1376634093.db2.gz RSXMMMGWOQNUFW-INIZCTEOSA-N 1 2 345.443 3.095 20 30 EGEDLO CC(C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)=C1CCCC1 ZINC001233581202 1376674542 /nfs/dbraw/zinc/67/45/42/1376674542.db2.gz PYKHWGPHNOLHMB-HXUWFJFHSA-N 1 2 337.467 3.481 20 30 EGEDLO CC(C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccccc1C#N)=C1CCCC1 ZINC001233581202 1376674548 /nfs/dbraw/zinc/67/45/48/1376674548.db2.gz PYKHWGPHNOLHMB-HXUWFJFHSA-N 1 2 337.467 3.481 20 30 EGEDLO COc1cc(/C=N/O)ccc1OC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC001233803428 1376721356 /nfs/dbraw/zinc/72/13/56/1376721356.db2.gz OTVVOTUJRTTYBQ-FYJGNVAPSA-N 1 2 341.411 3.255 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)c1ccc(F)c(F)c1 ZINC001233916233 1376736348 /nfs/dbraw/zinc/73/63/48/1376736348.db2.gz VEQTWSCEGPGWKR-GDBMZVCRSA-N 1 2 334.410 3.362 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)c1ccc(F)c(F)c1 ZINC001233916233 1376736356 /nfs/dbraw/zinc/73/63/56/1376736356.db2.gz VEQTWSCEGPGWKR-GDBMZVCRSA-N 1 2 334.410 3.362 20 30 EGEDLO CC(C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1)=C1CCC1 ZINC001234151048 1376778104 /nfs/dbraw/zinc/77/81/04/1376778104.db2.gz LVJDCVQEJWRNDD-GOSISDBHSA-N 1 2 341.430 3.230 20 30 EGEDLO CC(C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1)=C1CCC1 ZINC001234151048 1376778107 /nfs/dbraw/zinc/77/81/07/1376778107.db2.gz LVJDCVQEJWRNDD-GOSISDBHSA-N 1 2 341.430 3.230 20 30 EGEDLO CC(C)CC1(C(=O)N(C)C[C@H]2CC[N@@H+]2CC#Cc2ccccc2)CC1 ZINC001235191424 1376858414 /nfs/dbraw/zinc/85/84/14/1376858414.db2.gz HLUQGFRNTOQANO-HXUWFJFHSA-N 1 2 338.495 3.397 20 30 EGEDLO CC(C)CC1(C(=O)N(C)C[C@H]2CC[N@H+]2CC#Cc2ccccc2)CC1 ZINC001235191424 1376858419 /nfs/dbraw/zinc/85/84/19/1376858419.db2.gz HLUQGFRNTOQANO-HXUWFJFHSA-N 1 2 338.495 3.397 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)C[C@H]1C=CCCC1 ZINC001235775669 1376892775 /nfs/dbraw/zinc/89/27/75/1376892775.db2.gz DSYMBIKCMGRIED-LEWJYISDSA-N 1 2 336.479 3.317 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)C[C@H]1C=CCCC1 ZINC001235775669 1376892792 /nfs/dbraw/zinc/89/27/92/1376892792.db2.gz DSYMBIKCMGRIED-LEWJYISDSA-N 1 2 336.479 3.317 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccc(F)nc1C)CCO2 ZINC001235814481 1376897705 /nfs/dbraw/zinc/89/77/05/1376897705.db2.gz FOFOGUFKOKLCNW-IEBWSBKVSA-N 1 2 334.435 3.103 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1ccc(F)nc1C)CCO2 ZINC001235814481 1376897707 /nfs/dbraw/zinc/89/77/07/1376897707.db2.gz FOFOGUFKOKLCNW-IEBWSBKVSA-N 1 2 334.435 3.103 20 30 EGEDLO N#Cc1ncc(-c2ccc(-c3ccc(-n4cc[nH+]c4)cc3)nn2)cc1F ZINC001238993061 1377005501 /nfs/dbraw/zinc/00/55/01/1377005501.db2.gz PHVDJDOCCPPPPD-UHFFFAOYSA-N 1 2 342.337 3.402 20 30 EGEDLO CSc1ncc(C[NH+]2CCC(Oc3ccccc3C#N)CC2)cn1 ZINC001138706646 1377771067 /nfs/dbraw/zinc/77/10/67/1377771067.db2.gz DJRPKWOYRBKLLG-UHFFFAOYSA-N 1 2 340.452 3.114 20 30 EGEDLO CC(C)c1nc(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)cs1 ZINC001138887041 1377799574 /nfs/dbraw/zinc/79/95/74/1377799574.db2.gz MXIONWREDUBLRS-UHFFFAOYSA-N 1 2 341.484 3.245 20 30 EGEDLO CC(C)c1nc(C[N@H+]2CCCN(c3ccc(C#N)cn3)CC2)cs1 ZINC001138887041 1377799575 /nfs/dbraw/zinc/79/95/75/1377799575.db2.gz MXIONWREDUBLRS-UHFFFAOYSA-N 1 2 341.484 3.245 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1[C@H]2C[N@H+](Cc3cccc(Cl)c3C#N)C[C@H]21 ZINC001139687385 1377934579 /nfs/dbraw/zinc/93/45/79/1377934579.db2.gz PMDXSFOZNNPQFE-MIFYACCESA-N 1 2 347.846 3.167 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1[C@H]2C[N@@H+](Cc3cccc(Cl)c3C#N)C[C@H]21 ZINC001139687385 1377934585 /nfs/dbraw/zinc/93/45/85/1377934585.db2.gz PMDXSFOZNNPQFE-MIFYACCESA-N 1 2 347.846 3.167 20 30 EGEDLO C=CCn1cc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cn1 ZINC001139772613 1377949113 /nfs/dbraw/zinc/94/91/13/1377949113.db2.gz MNUBUMAEIIXWRJ-UHFFFAOYSA-N 1 2 330.863 3.040 20 30 EGEDLO C=CCn1cc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cn1 ZINC001139772613 1377949118 /nfs/dbraw/zinc/94/91/18/1377949118.db2.gz MNUBUMAEIIXWRJ-UHFFFAOYSA-N 1 2 330.863 3.040 20 30 EGEDLO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2cc(F)cc(C#N)c2)CC1 ZINC001139877883 1377970072 /nfs/dbraw/zinc/97/00/72/1377970072.db2.gz XEYKUXBTNTZXII-UHFFFAOYSA-N 1 2 333.407 3.140 20 30 EGEDLO CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2cc(F)cc(C#N)c2)CC1 ZINC001139877883 1377970073 /nfs/dbraw/zinc/97/00/73/1377970073.db2.gz XEYKUXBTNTZXII-UHFFFAOYSA-N 1 2 333.407 3.140 20 30 EGEDLO CCC[N@H+](CCC#N)Cc1ccc2n1CCN(C(=O)OC(C)(C)C)C2 ZINC001139928675 1377978169 /nfs/dbraw/zinc/97/81/69/1377978169.db2.gz QFNPSDMDHXALOO-UHFFFAOYSA-N 1 2 346.475 3.364 20 30 EGEDLO CCC[N@@H+](CCC#N)Cc1ccc2n1CCN(C(=O)OC(C)(C)C)C2 ZINC001139928675 1377978176 /nfs/dbraw/zinc/97/81/76/1377978176.db2.gz QFNPSDMDHXALOO-UHFFFAOYSA-N 1 2 346.475 3.364 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Br)cnc1F ZINC001140004700 1377990213 /nfs/dbraw/zinc/99/02/13/1377990213.db2.gz NNMYYDXZUKWBIL-UHFFFAOYSA-N 1 2 334.192 3.487 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Br)cnc1F ZINC001140004700 1377990214 /nfs/dbraw/zinc/99/02/14/1377990214.db2.gz NNMYYDXZUKWBIL-UHFFFAOYSA-N 1 2 334.192 3.487 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3cccc(C#N)c3Cl)C[C@H]21 ZINC001140814919 1378148940 /nfs/dbraw/zinc/14/89/40/1378148940.db2.gz UMKUQSCAFMXLIS-HUUCEWRRSA-N 1 2 347.846 3.263 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3cccc(C#N)c3Cl)C[C@H]21 ZINC001140814919 1378148942 /nfs/dbraw/zinc/14/89/42/1378148942.db2.gz UMKUQSCAFMXLIS-HUUCEWRRSA-N 1 2 347.846 3.263 20 30 EGEDLO N#Cc1ccc(Br)cc1C[NH+]1CCC2(CCCO2)CC1 ZINC001141902774 1378392110 /nfs/dbraw/zinc/39/21/10/1378392110.db2.gz CYNMQAYTWQGZRH-UHFFFAOYSA-N 1 2 335.245 3.466 20 30 EGEDLO N#Cc1ccc2c(C[N@@H+]3CCO[C@H](COc4ccccc4)C3)c[nH]c2c1 ZINC001142922730 1378509857 /nfs/dbraw/zinc/50/98/57/1378509857.db2.gz SMCBVSTWLCFZRM-IBGZPJMESA-N 1 2 347.418 3.319 20 30 EGEDLO N#Cc1ccc2c(C[N@H+]3CCO[C@H](COc4ccccc4)C3)c[nH]c2c1 ZINC001142922730 1378509859 /nfs/dbraw/zinc/50/98/59/1378509859.db2.gz SMCBVSTWLCFZRM-IBGZPJMESA-N 1 2 347.418 3.319 20 30 EGEDLO C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1c(F)ccc(C#N)c1F ZINC001143166480 1378552553 /nfs/dbraw/zinc/55/25/53/1378552553.db2.gz IVRDJKQTQFKFFC-UHFFFAOYSA-N 1 2 339.386 3.183 20 30 EGEDLO C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1c(F)ccc(C#N)c1F ZINC001143166480 1378552563 /nfs/dbraw/zinc/55/25/63/1378552563.db2.gz IVRDJKQTQFKFFC-UHFFFAOYSA-N 1 2 339.386 3.183 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1cc(C)c(F)c(C)c1 ZINC001143380085 1378589852 /nfs/dbraw/zinc/58/98/52/1378589852.db2.gz YOBPBFGAIRKZBK-SFHVURJKSA-N 1 2 343.446 3.478 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1cc(C)c(F)c(C)c1 ZINC001143380085 1378589858 /nfs/dbraw/zinc/58/98/58/1378589858.db2.gz YOBPBFGAIRKZBK-SFHVURJKSA-N 1 2 343.446 3.478 20 30 EGEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001143723447 1378639006 /nfs/dbraw/zinc/63/90/06/1378639006.db2.gz PQIIEKUPCICMEP-APWZRJJASA-N 1 2 346.858 3.372 20 30 EGEDLO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001143723447 1378639008 /nfs/dbraw/zinc/63/90/08/1378639008.db2.gz PQIIEKUPCICMEP-APWZRJJASA-N 1 2 346.858 3.372 20 30 EGEDLO CC(C)C(=O)N(C)C1CC[NH+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143731838 1378639256 /nfs/dbraw/zinc/63/92/56/1378639256.db2.gz DZANNQOWZJZASM-UHFFFAOYSA-N 1 2 333.863 3.290 20 30 EGEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC(NC(=O)C2CCC2)CC1 ZINC001143726263 1378639266 /nfs/dbraw/zinc/63/92/66/1378639266.db2.gz JUVPOZVRKZMWKR-UHFFFAOYSA-N 1 2 331.847 3.092 20 30 EGEDLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(OC(F)(F)F)cc2F)C1 ZINC001143781744 1378645322 /nfs/dbraw/zinc/64/53/22/1378645322.db2.gz XURALQPFPFVSHA-LLVKDONJSA-N 1 2 347.230 3.223 20 30 EGEDLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2F)C1 ZINC001143781744 1378645324 /nfs/dbraw/zinc/64/53/24/1378645324.db2.gz XURALQPFPFVSHA-LLVKDONJSA-N 1 2 347.230 3.223 20 30 EGEDLO C=CCC(C)(C)C(=O)Nc1ccc(OC)nc1-n1cc[nH+]c1CC ZINC001144065900 1378677729 /nfs/dbraw/zinc/67/77/29/1378677729.db2.gz MPBAQYHFVIRNMD-UHFFFAOYSA-N 1 2 328.416 3.379 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCSCc1csc(C[NH+](C)C)n1 ZINC001144076567 1378679946 /nfs/dbraw/zinc/67/99/46/1378679946.db2.gz BJIFJFYULZVTDL-UHFFFAOYSA-N 1 2 341.546 3.156 20 30 EGEDLO Cc1cc2ccccc2nc1N1CC[NH+](Cc2cncc(C#N)c2)CC1 ZINC001144083888 1378680884 /nfs/dbraw/zinc/68/08/84/1378680884.db2.gz VZIJYTDVXCPHCU-UHFFFAOYSA-N 1 2 343.434 3.132 20 30 EGEDLO C#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C2)cc1 ZINC001144576244 1378747522 /nfs/dbraw/zinc/74/75/22/1378747522.db2.gz GTPPBVUUTUBDMH-DLBZAZTESA-N 1 2 332.419 3.105 20 30 EGEDLO C#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C2)cc1 ZINC001144576244 1378747523 /nfs/dbraw/zinc/74/75/23/1378747523.db2.gz GTPPBVUUTUBDMH-DLBZAZTESA-N 1 2 332.419 3.105 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@@H+](Cc1csc(C)n1)C2 ZINC001147652606 1379055596 /nfs/dbraw/zinc/05/55/96/1379055596.db2.gz MTFSLBVQRLKOFK-UHFFFAOYSA-N 1 2 333.501 3.088 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@H+](Cc1csc(C)n1)C2 ZINC001147652606 1379055601 /nfs/dbraw/zinc/05/56/01/1379055601.db2.gz MTFSLBVQRLKOFK-UHFFFAOYSA-N 1 2 333.501 3.088 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@H+](Cc1csc(C)n1)C2 ZINC001148125724 1379121123 /nfs/dbraw/zinc/12/11/23/1379121123.db2.gz PFEFNJZGYWANBY-HNNXBMFYSA-N 1 2 333.501 3.088 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](Cc1csc(C)n1)C2 ZINC001148125724 1379121125 /nfs/dbraw/zinc/12/11/25/1379121125.db2.gz PFEFNJZGYWANBY-HNNXBMFYSA-N 1 2 333.501 3.088 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C/Cl)C2 ZINC001148131426 1379122584 /nfs/dbraw/zinc/12/25/84/1379122584.db2.gz STHOZSJBDXHDPY-HRYODUOUSA-N 1 2 331.287 3.442 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](C/C(Cl)=C/Cl)C2 ZINC001148131426 1379122585 /nfs/dbraw/zinc/12/25/85/1379122585.db2.gz STHOZSJBDXHDPY-HRYODUOUSA-N 1 2 331.287 3.442 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)[C@@H](C)CC(C)C)C2)C1 ZINC001148497590 1379190848 /nfs/dbraw/zinc/19/08/48/1379190848.db2.gz XUPSKEJURMSCDV-ZDUSSCGKSA-N 1 2 343.309 3.112 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C)CC(C)C)C2)C1 ZINC001148497590 1379190850 /nfs/dbraw/zinc/19/08/50/1379190850.db2.gz XUPSKEJURMSCDV-ZDUSSCGKSA-N 1 2 343.309 3.112 20 30 EGEDLO C=CCC1(C(=O)N2CC3(C2)CC[N@H+](Cc2nccs2)C3)CCCC1 ZINC001148934681 1379300050 /nfs/dbraw/zinc/30/00/50/1379300050.db2.gz KDUDQVJMNDAYSM-UHFFFAOYSA-N 1 2 345.512 3.314 20 30 EGEDLO C=CCC1(C(=O)N2CC3(C2)CC[N@@H+](Cc2nccs2)C3)CCCC1 ZINC001148934681 1379300053 /nfs/dbraw/zinc/30/00/53/1379300053.db2.gz KDUDQVJMNDAYSM-UHFFFAOYSA-N 1 2 345.512 3.314 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CC=C(Cl)Cl)CCCO1 ZINC001150078834 1379491348 /nfs/dbraw/zinc/49/13/48/1379491348.db2.gz NPHDNCVUJUPQAO-CYBMUJFWSA-N 1 2 349.302 3.115 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](CC=C(Cl)Cl)CCCO1 ZINC001150078834 1379491345 /nfs/dbraw/zinc/49/13/45/1379491345.db2.gz NPHDNCVUJUPQAO-CYBMUJFWSA-N 1 2 349.302 3.115 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@](C)(CC)CCC)C1 ZINC001150508825 1379559879 /nfs/dbraw/zinc/55/98/79/1379559879.db2.gz XBFHCUYPPYFOGX-NVXWUHKLSA-N 1 2 330.900 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@](C)(CC)CCC)C1 ZINC001150508825 1379559881 /nfs/dbraw/zinc/55/98/81/1379559881.db2.gz XBFHCUYPPYFOGX-NVXWUHKLSA-N 1 2 330.900 3.162 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)Cc1cccs1 ZINC001151560365 1379738312 /nfs/dbraw/zinc/73/83/12/1379738312.db2.gz QPWDDTYPMSRKIW-GFCCVEGCSA-N 1 2 345.306 3.026 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)Cc1cccs1 ZINC001151560365 1379738311 /nfs/dbraw/zinc/73/83/11/1379738311.db2.gz QPWDDTYPMSRKIW-GFCCVEGCSA-N 1 2 345.306 3.026 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001152681809 1379969616 /nfs/dbraw/zinc/96/96/16/1379969616.db2.gz JOPIKRLKVIJIDH-BPQTVZERSA-N 1 2 343.446 3.070 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001152681809 1379969618 /nfs/dbraw/zinc/96/96/18/1379969618.db2.gz JOPIKRLKVIJIDH-BPQTVZERSA-N 1 2 343.446 3.070 20 30 EGEDLO C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001153471929 1380082815 /nfs/dbraw/zinc/08/28/15/1380082815.db2.gz RYJOGZUOUUGKPT-CHWSQXEVSA-N 1 2 326.378 3.460 20 30 EGEDLO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001153471929 1380082816 /nfs/dbraw/zinc/08/28/16/1380082816.db2.gz RYJOGZUOUUGKPT-CHWSQXEVSA-N 1 2 326.378 3.460 20 30 EGEDLO C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](F)C(F)(F)F ZINC001153471929 1380082817 /nfs/dbraw/zinc/08/28/17/1380082817.db2.gz RYJOGZUOUUGKPT-CHWSQXEVSA-N 1 2 326.378 3.460 20 30 EGEDLO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](F)C(F)(F)F ZINC001153471929 1380082818 /nfs/dbraw/zinc/08/28/18/1380082818.db2.gz RYJOGZUOUUGKPT-CHWSQXEVSA-N 1 2 326.378 3.460 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1nc(-c2ccco2)no1 ZINC001153642542 1380109175 /nfs/dbraw/zinc/10/91/75/1380109175.db2.gz ZLKBMLSESZIWOA-CQSZACIVSA-N 1 2 346.431 3.013 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc(-c2ccco2)no1 ZINC001153642542 1380109176 /nfs/dbraw/zinc/10/91/76/1380109176.db2.gz ZLKBMLSESZIWOA-CQSZACIVSA-N 1 2 346.431 3.013 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2ncc(C3CC3)o2)CCC1 ZINC001153776910 1380127346 /nfs/dbraw/zinc/12/73/46/1380127346.db2.gz SVEGEMUKGNSTOA-OAHLLOKOSA-N 1 2 343.471 3.072 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2ncc(C3CC3)o2)CCC1 ZINC001153776910 1380127347 /nfs/dbraw/zinc/12/73/47/1380127347.db2.gz SVEGEMUKGNSTOA-OAHLLOKOSA-N 1 2 343.471 3.072 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1noc2c1CCCC2 ZINC001154743195 1380343856 /nfs/dbraw/zinc/34/38/56/1380343856.db2.gz VYBJSEUQJCBJTM-JKSUJKDBSA-N 1 2 347.503 3.482 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1noc2c1CCCC2 ZINC001154743195 1380343857 /nfs/dbraw/zinc/34/38/57/1380343857.db2.gz VYBJSEUQJCBJTM-JKSUJKDBSA-N 1 2 347.503 3.482 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C1(C(C)C)CC1 ZINC001155142237 1380415849 /nfs/dbraw/zinc/41/58/49/1380415849.db2.gz URQOIHDGORBSOT-OAHLLOKOSA-N 1 2 345.462 3.460 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C1(C(C)C)CC1 ZINC001155142237 1380415850 /nfs/dbraw/zinc/41/58/50/1380415850.db2.gz URQOIHDGORBSOT-OAHLLOKOSA-N 1 2 345.462 3.460 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@@H]1CC12CCC2 ZINC001155504190 1380462089 /nfs/dbraw/zinc/46/20/89/1380462089.db2.gz UKHAXFYGADNNFS-KDOFPFPSSA-N 1 2 343.446 3.214 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@@H]1CC12CCC2 ZINC001155504190 1380462090 /nfs/dbraw/zinc/46/20/90/1380462090.db2.gz UKHAXFYGADNNFS-KDOFPFPSSA-N 1 2 343.446 3.214 20 30 EGEDLO CN(Cc1ccc(-n2ccnc2)cc1)c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001156788222 1380637556 /nfs/dbraw/zinc/63/75/56/1380637556.db2.gz PGGFRWJQLCIORN-UHFFFAOYSA-N 1 2 328.379 3.257 20 30 EGEDLO COc1cc2[nH+]c(C)nc(N[C@H]3CC[C@H](C#N)CC3)c2cc1OC ZINC001157050190 1380761246 /nfs/dbraw/zinc/76/12/46/1380761246.db2.gz RXBXFTLPZUJCCT-JOCQHMNTSA-N 1 2 326.400 3.450 20 30 EGEDLO Cc1cnc(NCCSCc2csc(C[NH+](C)C)n2)c(C#N)c1 ZINC001157337214 1380844638 /nfs/dbraw/zinc/84/46/38/1380844638.db2.gz YTZMUBAKMHVGCU-UHFFFAOYSA-N 1 2 347.513 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc(Cl)cc1OC ZINC001755312277 1440813868 /nfs/dbraw/zinc/81/38/68/1440813868.db2.gz DIKLHYGFODGFJV-LLVKDONJSA-N 1 2 331.243 3.151 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccc(Cl)cc1OC ZINC001755312277 1440813869 /nfs/dbraw/zinc/81/38/69/1440813869.db2.gz DIKLHYGFODGFJV-LLVKDONJSA-N 1 2 331.243 3.151 20 30 EGEDLO CCN(CCn1cc[nH+]c1)c1ccc([C@H](C#N)c2ccc(C)cc2)nn1 ZINC001157459624 1380912281 /nfs/dbraw/zinc/91/22/81/1380912281.db2.gz DPMXJCMPQCIEND-GOSISDBHSA-N 1 2 346.438 3.164 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)C1CC1 ZINC001157761921 1381025698 /nfs/dbraw/zinc/02/56/98/1381025698.db2.gz IDTHBJRFMCRNNY-DZGCQCFKSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)C1CC1 ZINC001157761921 1381025699 /nfs/dbraw/zinc/02/56/99/1381025699.db2.gz IDTHBJRFMCRNNY-DZGCQCFKSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)/C(C)=C\C ZINC001157784571 1381031819 /nfs/dbraw/zinc/03/18/19/1381031819.db2.gz OXHZCRITFSNBJE-WTKLMOFPSA-N 1 2 329.282 3.174 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)/C(C)=C\C ZINC001157784571 1381031825 /nfs/dbraw/zinc/03/18/25/1381031825.db2.gz OXHZCRITFSNBJE-WTKLMOFPSA-N 1 2 329.282 3.174 20 30 EGEDLO C#CCCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nc(C)c(C)o1 ZINC001157849875 1381050324 /nfs/dbraw/zinc/05/03/24/1381050324.db2.gz JWOWTOKMDWDMFF-GOSISDBHSA-N 1 2 345.487 3.298 20 30 EGEDLO C#CCCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nc(C)c(C)o1 ZINC001157849875 1381050330 /nfs/dbraw/zinc/05/03/30/1381050330.db2.gz JWOWTOKMDWDMFF-GOSISDBHSA-N 1 2 345.487 3.298 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(CC)o1 ZINC001158019080 1381104901 /nfs/dbraw/zinc/10/49/01/1381104901.db2.gz PVUWUXSSMPGGDW-MRXNPFEDSA-N 1 2 333.476 3.406 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(CC)o1 ZINC001158019080 1381104905 /nfs/dbraw/zinc/10/49/05/1381104905.db2.gz PVUWUXSSMPGGDW-MRXNPFEDSA-N 1 2 333.476 3.406 20 30 EGEDLO N#Cc1ccc(-c2ccncc2)nc1NCCc1cn2ccccc2[nH+]1 ZINC001158145433 1381140374 /nfs/dbraw/zinc/14/03/74/1381140374.db2.gz MVGNZNQAONWHIH-UHFFFAOYSA-N 1 2 340.390 3.318 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)C(CC)CC)CC1 ZINC001159354992 1381774014 /nfs/dbraw/zinc/77/40/14/1381774014.db2.gz YAOYYMXULAPBLD-UHFFFAOYSA-N 1 2 343.309 3.470 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)C(CC)CC)CC1 ZINC001159354992 1381774015 /nfs/dbraw/zinc/77/40/15/1381774015.db2.gz YAOYYMXULAPBLD-UHFFFAOYSA-N 1 2 343.309 3.470 20 30 EGEDLO C=CCC(CC=C)C(=O)NCCC1=CC[N@H+](Cc2ccon2)CC1 ZINC001160229409 1382041531 /nfs/dbraw/zinc/04/15/31/1382041531.db2.gz UBKRSSVOKGSANZ-UHFFFAOYSA-N 1 2 329.444 3.081 20 30 EGEDLO C=CCC(CC=C)C(=O)NCCC1=CC[N@@H+](Cc2ccon2)CC1 ZINC001160229409 1382041538 /nfs/dbraw/zinc/04/15/38/1382041538.db2.gz UBKRSSVOKGSANZ-UHFFFAOYSA-N 1 2 329.444 3.081 20 30 EGEDLO C[C@@H]1CC(=O)C=C(Nc2ccc(O[C@@H]3CC[NH2+]CC3(F)F)cc2)C1 ZINC001160350683 1382079518 /nfs/dbraw/zinc/07/95/18/1382079518.db2.gz OUJSCPURWCSAFH-YVEFUNNKSA-N 1 2 336.382 3.357 20 30 EGEDLO Cc1cc(Nc2ccc(O[C@@H]3CC[NH2+]CC3(F)F)cc2)cnc1C#N ZINC001160350719 1382079603 /nfs/dbraw/zinc/07/96/03/1382079603.db2.gz QBAXXZLSYXZILL-QGZVFWFLSA-N 1 2 344.365 3.381 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)CCCCCCCCCCCON)CC1 ZINC001160437124 1382103431 /nfs/dbraw/zinc/10/34/31/1382103431.db2.gz QQCKNWBTKQOVPC-UHFFFAOYSA-N 1 2 339.524 3.108 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2ncc(C)cn2)CC1 ZINC001160967043 1382253861 /nfs/dbraw/zinc/25/38/61/1382253861.db2.gz AICPOBNKURMBPL-KRWDZBQOSA-N 1 2 342.487 3.026 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2ncc(C)cn2)CC1 ZINC001160967043 1382253865 /nfs/dbraw/zinc/25/38/65/1382253865.db2.gz AICPOBNKURMBPL-KRWDZBQOSA-N 1 2 342.487 3.026 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2ccn(CC)n2)CC1 ZINC001160968757 1382256519 /nfs/dbraw/zinc/25/65/19/1382256519.db2.gz XJBAZKCGZUXINE-KRWDZBQOSA-N 1 2 344.503 3.144 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2ccn(CC)n2)CC1 ZINC001160968757 1382256525 /nfs/dbraw/zinc/25/65/25/1382256525.db2.gz XJBAZKCGZUXINE-KRWDZBQOSA-N 1 2 344.503 3.144 20 30 EGEDLO C=CCCCC(=O)NCCC1=CC[N@H+](Cc2csc(C)n2)CC1 ZINC001161062341 1382287620 /nfs/dbraw/zinc/28/76/20/1382287620.db2.gz MBEHSXJTKWKMMJ-UHFFFAOYSA-N 1 2 333.501 3.446 20 30 EGEDLO C=CCCCC(=O)NCCC1=CC[N@@H+](Cc2csc(C)n2)CC1 ZINC001161062341 1382287624 /nfs/dbraw/zinc/28/76/24/1382287624.db2.gz MBEHSXJTKWKMMJ-UHFFFAOYSA-N 1 2 333.501 3.446 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)C[C@H]2C[C@@H]2C)CC1 ZINC001161113686 1382302839 /nfs/dbraw/zinc/30/28/39/1382302839.db2.gz SWUNNCABHALQDY-SWLSCSKDSA-N 1 2 341.293 3.080 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)C[C@H]2C[C@@H]2C)CC1 ZINC001161113686 1382302845 /nfs/dbraw/zinc/30/28/45/1382302845.db2.gz SWUNNCABHALQDY-SWLSCSKDSA-N 1 2 341.293 3.080 20 30 EGEDLO CCCc1cc(C#N)c(NC2CN(c3cccc[nH+]3)C2)nc1Cl ZINC001161320469 1382369664 /nfs/dbraw/zinc/36/96/64/1382369664.db2.gz GWAAUSSNEALBGS-UHFFFAOYSA-N 1 2 327.819 3.255 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1=CC[N@H+](Cc2nccn2CC)CC1 ZINC001161336670 1382374543 /nfs/dbraw/zinc/37/45/43/1382374543.db2.gz WWJGUQVPQIVPSF-UHFFFAOYSA-N 1 2 344.503 3.144 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2nccn2CC)CC1 ZINC001161336670 1382374545 /nfs/dbraw/zinc/37/45/45/1382374545.db2.gz WWJGUQVPQIVPSF-UHFFFAOYSA-N 1 2 344.503 3.144 20 30 EGEDLO N#CCc1cc[nH+]c(N[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)c1 ZINC001162965531 1382930065 /nfs/dbraw/zinc/93/00/65/1382930065.db2.gz ZYALQDHBEVPXFR-HNNXBMFYSA-N 1 2 340.814 3.014 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)C1CC(C)(C)C1 ZINC001328719885 1388824961 /nfs/dbraw/zinc/82/49/61/1388824961.db2.gz KJDWBYNNFTWGOK-CQSZACIVSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)C1CC(C)(C)C1 ZINC001328719885 1388824968 /nfs/dbraw/zinc/82/49/68/1388824968.db2.gz KJDWBYNNFTWGOK-CQSZACIVSA-N 1 2 343.309 3.254 20 30 EGEDLO C#CCCC1(CCNc2nc(C)[nH+]c3cc(OC)c(OC)cc32)N=N1 ZINC001163379824 1383037337 /nfs/dbraw/zinc/03/73/37/1383037337.db2.gz FYFNKSNWJYXNFM-UHFFFAOYSA-N 1 2 339.399 3.333 20 30 EGEDLO COC[C@]12CCCO[C@H]1CCN(c1[nH+]ccc3ccc(C#N)cc31)C2 ZINC001165954406 1383370512 /nfs/dbraw/zinc/37/05/12/1383370512.db2.gz RUPPFTHNUYIRCG-AZUAARDMSA-N 1 2 337.423 3.128 20 30 EGEDLO N#Cc1c(F)cccc1C(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001168745726 1383989289 /nfs/dbraw/zinc/98/92/89/1383989289.db2.gz YZVDPBNSQPVPTO-QGZVFWFLSA-N 1 2 343.789 3.137 20 30 EGEDLO N#Cc1ccnc(C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC001168939560 1384066705 /nfs/dbraw/zinc/06/67/05/1384066705.db2.gz AMLRSIWLQQWANV-UHFFFAOYSA-N 1 2 336.222 3.255 20 30 EGEDLO N#Cc1ccnc(C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC001168939560 1384066709 /nfs/dbraw/zinc/06/67/09/1384066709.db2.gz AMLRSIWLQQWANV-UHFFFAOYSA-N 1 2 336.222 3.255 20 30 EGEDLO C=CCOC(=O)CC[C@H]([NH2+][C@@H](C)CCCC(C)C)C(=O)OCC=C ZINC001170063430 1384227317 /nfs/dbraw/zinc/22/73/17/1384227317.db2.gz CTRVRDBGWBTGQR-IRXDYDNUSA-N 1 2 339.476 3.398 20 30 EGEDLO C=C[C@H]1C[C@]1(Nc1cc2c3c(c1)CCC[NH+]3CCC2)C(=O)OCC ZINC001170921455 1384411341 /nfs/dbraw/zinc/41/13/41/1384411341.db2.gz GEBWBAMUDGDVJX-OXJNMPFZSA-N 1 2 326.440 3.305 20 30 EGEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C1 ZINC001171222094 1384472754 /nfs/dbraw/zinc/47/27/54/1384472754.db2.gz CTRWLLJJROVCKX-XOKHGSTOSA-N 1 2 347.434 3.036 20 30 EGEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C1 ZINC001171222094 1384472756 /nfs/dbraw/zinc/47/27/56/1384472756.db2.gz CTRWLLJJROVCKX-XOKHGSTOSA-N 1 2 347.434 3.036 20 30 EGEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1Cc2nnc(C(F)(F)F)n2[C@@H](C)C1 ZINC001171231367 1384475541 /nfs/dbraw/zinc/47/55/41/1384475541.db2.gz ISJKFRQINQZJGL-RYUDHWBXSA-N 1 2 349.360 3.176 20 30 EGEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1Cc2nnc(C(F)(F)F)n2[C@@H](C)C1 ZINC001171231367 1384475543 /nfs/dbraw/zinc/47/55/43/1384475543.db2.gz ISJKFRQINQZJGL-RYUDHWBXSA-N 1 2 349.360 3.176 20 30 EGEDLO C[C@H](CCCC#N)[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)OC(C)(C)C ZINC001172489309 1384804154 /nfs/dbraw/zinc/80/41/54/1384804154.db2.gz POYGHRDSDSJVAZ-PBHICJAKSA-N 1 2 332.444 3.317 20 30 EGEDLO CC[C@H](C#N)[NH2+][C@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172520983 1384808334 /nfs/dbraw/zinc/80/83/34/1384808334.db2.gz SHKANBPAEMPZFL-OKYOBFRVSA-N 1 2 325.456 3.209 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC001317038198 1384809499 /nfs/dbraw/zinc/80/94/99/1384809499.db2.gz BQMXQXFKTWPJRC-CQSZACIVSA-N 1 2 346.862 3.099 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC001317038198 1384809501 /nfs/dbraw/zinc/80/95/01/1384809501.db2.gz BQMXQXFKTWPJRC-CQSZACIVSA-N 1 2 346.862 3.099 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ncccc1C(F)(F)F)C1CC1 ZINC001317558254 1385331541 /nfs/dbraw/zinc/33/15/41/1385331541.db2.gz FOJJNWOWDUPQLF-UHFFFAOYSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ncccc1C(F)(F)F)C1CC1 ZINC001317558254 1385331545 /nfs/dbraw/zinc/33/15/45/1385331545.db2.gz FOJJNWOWDUPQLF-UHFFFAOYSA-N 1 2 347.768 3.047 20 30 EGEDLO COC(=O)c1cc(C#N)ccc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175713504 1385382454 /nfs/dbraw/zinc/38/24/54/1385382454.db2.gz BKWFPIDOAZXOSH-UHFFFAOYSA-N 1 2 336.273 3.084 20 30 EGEDLO S=C(N[NH+]=Cc1ccc(N2CCCC2)cc1)Nc1cccnc1 ZINC001317836098 1385523193 /nfs/dbraw/zinc/52/31/93/1385523193.db2.gz FBIPZYVLSBVDJE-UHFFFAOYSA-N 1 2 325.441 3.002 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@@H+](Cc3cc(C)sc3C)[C@@H]2C1 ZINC001176954968 1385754231 /nfs/dbraw/zinc/75/42/31/1385754231.db2.gz LDWLDCHMMYHQED-QZTJIDSGSA-N 1 2 348.512 3.133 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@H+](Cc3cc(C)sc3C)[C@@H]2C1 ZINC001176954968 1385754234 /nfs/dbraw/zinc/75/42/34/1385754234.db2.gz LDWLDCHMMYHQED-QZTJIDSGSA-N 1 2 348.512 3.133 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001177019465 1385774336 /nfs/dbraw/zinc/77/43/36/1385774336.db2.gz MUICNFULPTVSOM-OALUTQOASA-N 1 2 342.483 3.091 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001177019465 1385774339 /nfs/dbraw/zinc/77/43/39/1385774339.db2.gz MUICNFULPTVSOM-OALUTQOASA-N 1 2 342.483 3.091 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]3OCC[N@@H+](CC(=C)C)[C@H]3C2)CCCCC1 ZINC001177150971 1385835329 /nfs/dbraw/zinc/83/53/29/1385835329.db2.gz RSFZGHUUJLOBBH-RBUKOAKNSA-N 1 2 346.515 3.391 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]3OCC[N@H+](CC(=C)C)[C@H]3C2)CCCCC1 ZINC001177150971 1385835335 /nfs/dbraw/zinc/83/53/35/1385835335.db2.gz RSFZGHUUJLOBBH-RBUKOAKNSA-N 1 2 346.515 3.391 20 30 EGEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177616507 1386008234 /nfs/dbraw/zinc/00/82/34/1386008234.db2.gz RFZFAIGTWKXVJR-INIZCTEOSA-N 1 2 340.427 3.311 20 30 EGEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC001177616507 1386008237 /nfs/dbraw/zinc/00/82/37/1386008237.db2.gz RFZFAIGTWKXVJR-INIZCTEOSA-N 1 2 340.427 3.311 20 30 EGEDLO N#C[C@H](Cc1cccs1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001177913061 1386081821 /nfs/dbraw/zinc/08/18/21/1386081821.db2.gz XKNPRAKCKLHWJN-HNNXBMFYSA-N 1 2 336.420 3.314 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]([NH2+]Cc2nc(CCC(C)C)no2)[C@@H]1C ZINC001178806124 1386311602 /nfs/dbraw/zinc/31/16/02/1386311602.db2.gz UNUZQJCWOVDLFR-HOTGVXAUSA-N 1 2 348.491 3.094 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@@H](C)c1ccccc1OC ZINC001320073376 1386493297 /nfs/dbraw/zinc/49/32/97/1386493297.db2.gz ZELRJCDBDVJGJZ-CQSZACIVSA-N 1 2 338.879 3.332 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@@H](C)c1ccccc1OC ZINC001320073376 1386493300 /nfs/dbraw/zinc/49/33/00/1386493300.db2.gz ZELRJCDBDVJGJZ-CQSZACIVSA-N 1 2 338.879 3.332 20 30 EGEDLO N#Cc1ccccc1N1CCC(C(=O)Nc2cccc3[nH+]ccn32)CC1 ZINC001180503741 1386817214 /nfs/dbraw/zinc/81/72/14/1386817214.db2.gz WURNSFMQRBNXCZ-UHFFFAOYSA-N 1 2 345.406 3.061 20 30 EGEDLO Cc1c[nH+]c2n1CCC21CCN(C(=O)[C@H](C)c2ccc(C#N)cc2)CC1 ZINC001182793105 1387225426 /nfs/dbraw/zinc/22/54/26/1387225426.db2.gz XZYUPPBEIQTLKQ-MRXNPFEDSA-N 1 2 348.450 3.131 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nnc(CC(C)C)o2)C1 ZINC001182894024 1387240963 /nfs/dbraw/zinc/24/09/63/1387240963.db2.gz RGUUQIOOASMZNH-HUUCEWRRSA-N 1 2 348.491 3.122 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCOc1cc(C)ccc1C ZINC001329608159 1389181064 /nfs/dbraw/zinc/18/10/64/1389181064.db2.gz KSYFSNTXPZFBEA-MRXNPFEDSA-N 1 2 338.879 3.261 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCOc1cc(C)ccc1C ZINC001329608159 1389181067 /nfs/dbraw/zinc/18/10/67/1389181067.db2.gz KSYFSNTXPZFBEA-MRXNPFEDSA-N 1 2 338.879 3.261 20 30 EGEDLO C[C@@H](NC(=O)CCC1CCC1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001329987629 1389280437 /nfs/dbraw/zinc/28/04/37/1389280437.db2.gz ZQPMRHSDULJMPG-CQSZACIVSA-N 1 2 343.446 3.214 20 30 EGEDLO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)OCc2cc(C#N)ccn2)c1 ZINC001337961546 1389495722 /nfs/dbraw/zinc/49/57/22/1389495722.db2.gz DUZFZGSVYWZSDO-FQEVSTJZSA-N 1 2 349.434 3.360 20 30 EGEDLO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)OCc2cc(C#N)ccn2)c1 ZINC001337961546 1389495728 /nfs/dbraw/zinc/49/57/28/1389495728.db2.gz DUZFZGSVYWZSDO-FQEVSTJZSA-N 1 2 349.434 3.360 20 30 EGEDLO C=CCCC[C@H]([NH3+])C(=O)Nc1ccccc1-c1nnc(C(C)C)[nH]1 ZINC001340604478 1390326049 /nfs/dbraw/zinc/32/60/49/1390326049.db2.gz IOYYCSPZJOPAFV-AWEZNQCLSA-N 1 2 327.432 3.217 20 30 EGEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCCCCC1 ZINC001342246722 1390590950 /nfs/dbraw/zinc/59/09/50/1390590950.db2.gz CZZYNOKBKSAVJF-KRWDZBQOSA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCCCCC1 ZINC001342246722 1390590953 /nfs/dbraw/zinc/59/09/53/1390590953.db2.gz CZZYNOKBKSAVJF-KRWDZBQOSA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1ccccn1 ZINC001342329420 1390601703 /nfs/dbraw/zinc/60/17/03/1390601703.db2.gz ODNQKZQSIZSPDO-KRWDZBQOSA-N 1 2 340.475 3.042 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)Cc1ccccn1 ZINC001342329420 1390601704 /nfs/dbraw/zinc/60/17/04/1390601704.db2.gz ODNQKZQSIZSPDO-KRWDZBQOSA-N 1 2 340.475 3.042 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCOc2c(C)cccc2C)C1 ZINC001479954911 1392492426 /nfs/dbraw/zinc/49/24/26/1392492426.db2.gz AZIHXVMZYQCJHW-MRXNPFEDSA-N 1 2 336.863 3.015 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCOc2c(C)cccc2C)C1 ZINC001479954911 1392492429 /nfs/dbraw/zinc/49/24/29/1392492429.db2.gz AZIHXVMZYQCJHW-MRXNPFEDSA-N 1 2 336.863 3.015 20 30 EGEDLO CC(C)c1ccoc1C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001480905418 1393010011 /nfs/dbraw/zinc/01/00/11/1393010011.db2.gz VOQFALBQWOCYNI-UHFFFAOYSA-N 1 2 343.402 3.276 20 30 EGEDLO CC(C)c1ccoc1C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001480905418 1393010017 /nfs/dbraw/zinc/01/00/17/1393010017.db2.gz VOQFALBQWOCYNI-UHFFFAOYSA-N 1 2 343.402 3.276 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1sc(CCC)nc1C ZINC001481016136 1393092115 /nfs/dbraw/zinc/09/21/15/1393092115.db2.gz CKKVAFBNQSLJIX-UHFFFAOYSA-N 1 2 329.897 3.208 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1sc(CCC)nc1C ZINC001481016136 1393092117 /nfs/dbraw/zinc/09/21/17/1393092117.db2.gz CKKVAFBNQSLJIX-UHFFFAOYSA-N 1 2 329.897 3.208 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)CCc2ccccc2)C1 ZINC001490456799 1394233667 /nfs/dbraw/zinc/23/36/67/1394233667.db2.gz WGOGDDZDMPBPOK-OAQYLSRUSA-N 1 2 347.462 3.272 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)CCc2ccccc2)C1 ZINC001490456799 1394233683 /nfs/dbraw/zinc/23/36/83/1394233683.db2.gz WGOGDDZDMPBPOK-OAQYLSRUSA-N 1 2 347.462 3.272 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@H](CC)SC)CC1 ZINC001483964656 1395165461 /nfs/dbraw/zinc/16/54/61/1395165461.db2.gz JXKFOGAZYUOEEV-LBPRGKRZSA-N 1 2 349.338 3.007 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1ccc2[nH]ccc2c1 ZINC001698995823 1406792292 /nfs/dbraw/zinc/79/22/92/1406792292.db2.gz MBSPQNBFVQPGFN-UHFFFAOYSA-N 1 2 346.434 3.244 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1ccc2[nH]ccc2c1 ZINC001698995823 1406792297 /nfs/dbraw/zinc/79/22/97/1406792297.db2.gz MBSPQNBFVQPGFN-UHFFFAOYSA-N 1 2 346.434 3.244 20 30 EGEDLO Cc1ccc2cc(C(=O)NCC[N@@H+](C)Cc3ccccc3C#N)[nH]c2c1 ZINC001492358263 1396320791 /nfs/dbraw/zinc/32/07/91/1396320791.db2.gz RWLYJMQBVYSBDC-UHFFFAOYSA-N 1 2 346.434 3.210 20 30 EGEDLO Cc1ccc2cc(C(=O)NCC[N@H+](C)Cc3ccccc3C#N)[nH]c2c1 ZINC001492358263 1396320792 /nfs/dbraw/zinc/32/07/92/1396320792.db2.gz RWLYJMQBVYSBDC-UHFFFAOYSA-N 1 2 346.434 3.210 20 30 EGEDLO C[C@H](C(=O)N(C)CC[N@H+](C)Cc1cc(C#N)ccc1F)C1CCC1 ZINC001496726926 1396724290 /nfs/dbraw/zinc/72/42/90/1396724290.db2.gz XLYMRTJEVIWVPQ-AWEZNQCLSA-N 1 2 331.435 3.024 20 30 EGEDLO C[C@H](C(=O)N(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F)C1CCC1 ZINC001496726926 1396724295 /nfs/dbraw/zinc/72/42/95/1396724295.db2.gz XLYMRTJEVIWVPQ-AWEZNQCLSA-N 1 2 331.435 3.024 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)[C@H](F)c1ccccc1 ZINC001496792408 1396728762 /nfs/dbraw/zinc/72/87/62/1396728762.db2.gz OTNWXDXCQPITSS-LJQANCHMSA-N 1 2 339.414 3.159 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)[C@H](F)c1ccccc1 ZINC001496792408 1396728767 /nfs/dbraw/zinc/72/87/67/1396728767.db2.gz OTNWXDXCQPITSS-LJQANCHMSA-N 1 2 339.414 3.159 20 30 EGEDLO CC1(C)CC[C@@H](C(=O)NCC[N@H+](Cc2ccccc2C#N)C2CC2)C1 ZINC001691225743 1405165859 /nfs/dbraw/zinc/16/58/59/1405165859.db2.gz NKACGLJBEJMWTI-MRXNPFEDSA-N 1 2 339.483 3.465 20 30 EGEDLO CC1(C)CC[C@@H](C(=O)NCC[N@@H+](Cc2ccccc2C#N)C2CC2)C1 ZINC001691225743 1405165860 /nfs/dbraw/zinc/16/58/60/1405165860.db2.gz NKACGLJBEJMWTI-MRXNPFEDSA-N 1 2 339.483 3.465 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)CCC1(C)CC1 ZINC001691670192 1405403284 /nfs/dbraw/zinc/40/32/84/1405403284.db2.gz IYELKWQRGBGTSR-QGZVFWFLSA-N 1 2 343.446 3.310 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)CCC1(C)CC1 ZINC001691670192 1405403286 /nfs/dbraw/zinc/40/32/86/1405403286.db2.gz IYELKWQRGBGTSR-QGZVFWFLSA-N 1 2 343.446 3.310 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)Cc2ccsc2)C1 ZINC001691841771 1405553191 /nfs/dbraw/zinc/55/31/91/1405553191.db2.gz HTQBEOFOGMKDAQ-HNNXBMFYSA-N 1 2 326.893 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)Cc2ccsc2)C1 ZINC001691841771 1405553193 /nfs/dbraw/zinc/55/31/93/1405553193.db2.gz HTQBEOFOGMKDAQ-HNNXBMFYSA-N 1 2 326.893 3.356 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2ccc3c(c2)CCO3)C1 ZINC001691863850 1405581806 /nfs/dbraw/zinc/58/18/06/1405581806.db2.gz CPCVLKFXJWXTCY-KRWDZBQOSA-N 1 2 348.874 3.301 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccc3c(c2)CCO3)C1 ZINC001691863850 1405581809 /nfs/dbraw/zinc/58/18/09/1405581809.db2.gz CPCVLKFXJWXTCY-KRWDZBQOSA-N 1 2 348.874 3.301 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1coc(-c2ccccc2)n1 ZINC001731813900 1428002679 /nfs/dbraw/zinc/00/26/79/1428002679.db2.gz CUQWOXUDLZDNNJ-UHFFFAOYSA-N 1 2 333.819 3.146 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1coc(-c2ccccc2)n1 ZINC001731813900 1428002680 /nfs/dbraw/zinc/00/26/80/1428002680.db2.gz CUQWOXUDLZDNNJ-UHFFFAOYSA-N 1 2 333.819 3.146 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2ccc3c(c2)CCCC3)C1 ZINC001700549280 1414218981 /nfs/dbraw/zinc/21/89/81/1414218981.db2.gz FATVJMVBWLMDOL-HNNXBMFYSA-N 1 2 346.902 3.297 20 30 EGEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)C1(F)CCCCC1 ZINC001732595981 1428831189 /nfs/dbraw/zinc/83/11/89/1428831189.db2.gz YLRYVUFEJMZYMD-UHFFFAOYSA-N 1 2 349.425 3.260 20 30 EGEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)C1(F)CCCCC1 ZINC001732595981 1428831194 /nfs/dbraw/zinc/83/11/94/1428831194.db2.gz YLRYVUFEJMZYMD-UHFFFAOYSA-N 1 2 349.425 3.260 20 30 EGEDLO CCc1ccc(C(=O)NCC[N@H+](C)Cc2cc(C#N)ccc2F)cc1 ZINC001713474587 1418152605 /nfs/dbraw/zinc/15/26/05/1418152605.db2.gz DZBQIROWCJHAOB-UHFFFAOYSA-N 1 2 339.414 3.122 20 30 EGEDLO CCc1ccc(C(=O)NCC[N@@H+](C)Cc2cc(C#N)ccc2F)cc1 ZINC001713474587 1418152609 /nfs/dbraw/zinc/15/26/09/1418152609.db2.gz DZBQIROWCJHAOB-UHFFFAOYSA-N 1 2 339.414 3.122 20 30 EGEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)[C@@H]1CC12CCCC2 ZINC001713551344 1418332235 /nfs/dbraw/zinc/33/22/35/1418332235.db2.gz JVGLVQGNPUGAOQ-AWEZNQCLSA-N 1 2 343.309 3.304 20 30 EGEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)[C@@H]1CC12CCCC2 ZINC001713551344 1418332240 /nfs/dbraw/zinc/33/22/40/1418332240.db2.gz JVGLVQGNPUGAOQ-AWEZNQCLSA-N 1 2 343.309 3.304 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+](CCNC(=O)c2cccs2)C2CC2)c1 ZINC001713553233 1418340704 /nfs/dbraw/zinc/34/07/04/1418340704.db2.gz URIOVZUREJNYHC-UHFFFAOYSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+](CCNC(=O)c2cccs2)C2CC2)c1 ZINC001713553233 1418340709 /nfs/dbraw/zinc/34/07/09/1418340709.db2.gz URIOVZUREJNYHC-UHFFFAOYSA-N 1 2 343.427 3.153 20 30 EGEDLO CC[C@@H](C)CC(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001713556027 1418347833 /nfs/dbraw/zinc/34/78/33/1418347833.db2.gz YKAPMYOWKWAIGK-CQSZACIVSA-N 1 2 331.435 3.214 20 30 EGEDLO CC[C@@H](C)CC(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001713556027 1418347839 /nfs/dbraw/zinc/34/78/39/1418347839.db2.gz YKAPMYOWKWAIGK-CQSZACIVSA-N 1 2 331.435 3.214 20 30 EGEDLO C[N@H+](CCNC(=O)c1ccc(Cl)cc1F)Cc1ccccc1C#N ZINC001714551802 1419278865 /nfs/dbraw/zinc/27/88/65/1419278865.db2.gz HVTXMCCVARDQDT-UHFFFAOYSA-N 1 2 345.805 3.213 20 30 EGEDLO C[N@@H+](CCNC(=O)c1ccc(Cl)cc1F)Cc1ccccc1C#N ZINC001714551802 1419278867 /nfs/dbraw/zinc/27/88/67/1419278867.db2.gz HVTXMCCVARDQDT-UHFFFAOYSA-N 1 2 345.805 3.213 20 30 EGEDLO C[C@H](CC(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F)c1ccco1 ZINC001714572858 1419306878 /nfs/dbraw/zinc/30/68/78/1419306878.db2.gz ZEZZWQHEFZOSHA-CQSZACIVSA-N 1 2 343.402 3.032 20 30 EGEDLO C[C@H](CC(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F)c1ccco1 ZINC001714572858 1419306882 /nfs/dbraw/zinc/30/68/82/1419306882.db2.gz ZEZZWQHEFZOSHA-CQSZACIVSA-N 1 2 343.402 3.032 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)COc1ccc(Cl)cc1 ZINC001714617761 1419380522 /nfs/dbraw/zinc/38/05/22/1419380522.db2.gz DFDLLOUAVQPTNT-AWEZNQCLSA-N 1 2 343.254 3.052 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)COc1ccc(Cl)cc1 ZINC001714617761 1419380526 /nfs/dbraw/zinc/38/05/26/1419380526.db2.gz DFDLLOUAVQPTNT-AWEZNQCLSA-N 1 2 343.254 3.052 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)Cc1cccc(C2CC2)c1)C1CC1 ZINC001714668532 1419457659 /nfs/dbraw/zinc/45/76/59/1419457659.db2.gz OMIVGMHOAODHBC-UHFFFAOYSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cc1cccc(C2CC2)c1)C1CC1 ZINC001714668532 1419457661 /nfs/dbraw/zinc/45/76/61/1419457661.db2.gz OMIVGMHOAODHBC-UHFFFAOYSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H](C)Oc1ccc(C)cc1)C1CC1 ZINC001714677461 1419470157 /nfs/dbraw/zinc/47/01/57/1419470157.db2.gz VLYBIKJAPDWDHU-OAHLLOKOSA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H](C)Oc1ccc(C)cc1)C1CC1 ZINC001714677461 1419470159 /nfs/dbraw/zinc/47/01/59/1419470159.db2.gz VLYBIKJAPDWDHU-OAHLLOKOSA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc(-c2ccccc2)on1 ZINC001715523795 1420211487 /nfs/dbraw/zinc/21/14/87/1420211487.db2.gz GDRHHSCJRWMLBA-UHFFFAOYSA-N 1 2 333.819 3.098 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc(-c2ccccc2)on1 ZINC001715523795 1420211488 /nfs/dbraw/zinc/21/14/88/1420211488.db2.gz GDRHHSCJRWMLBA-UHFFFAOYSA-N 1 2 333.819 3.098 20 30 EGEDLO CC(C)CC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccccc1C#N ZINC001717359546 1421294217 /nfs/dbraw/zinc/29/42/17/1421294217.db2.gz GKNFUTWGGWQDEY-IFMALSPDSA-N 1 2 347.462 3.476 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1csc(C(C)(C)C)n1 ZINC001717492896 1421432266 /nfs/dbraw/zinc/43/22/66/1421432266.db2.gz MIIFICXLXZXUGX-NSHDSACASA-N 1 2 329.897 3.243 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1csc(C(C)(C)C)n1 ZINC001717492896 1421432268 /nfs/dbraw/zinc/43/22/68/1421432268.db2.gz MIIFICXLXZXUGX-NSHDSACASA-N 1 2 329.897 3.243 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1ccc(Cl)o1 ZINC001724845013 1425196055 /nfs/dbraw/zinc/19/60/55/1425196055.db2.gz NBWGVEOIWGWBTK-UHFFFAOYSA-N 1 2 349.656 3.236 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1ccc(Cl)o1 ZINC001724845013 1425196058 /nfs/dbraw/zinc/19/60/58/1425196058.db2.gz NBWGVEOIWGWBTK-UHFFFAOYSA-N 1 2 349.656 3.236 20 30 EGEDLO CCC(C)(C)CC(=O)N[C@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001725251042 1425871437 /nfs/dbraw/zinc/87/14/37/1425871437.db2.gz WBAOIPIKJHTNOG-CQSZACIVSA-N 1 2 345.462 3.460 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CCc2ccc(CC)cc2)C1 ZINC001725263356 1425895763 /nfs/dbraw/zinc/89/57/63/1425895763.db2.gz CALCAHKLHSCNLY-HNNXBMFYSA-N 1 2 334.891 3.371 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@]1(C)CCc2ccccc2C1 ZINC001731816430 1428012354 /nfs/dbraw/zinc/01/23/54/1428012354.db2.gz KSYZCZSZGVQQRH-LJQANCHMSA-N 1 2 334.891 3.372 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@]1(C)CCc2ccccc2C1 ZINC001731816430 1428012360 /nfs/dbraw/zinc/01/23/60/1428012360.db2.gz KSYZCZSZGVQQRH-LJQANCHMSA-N 1 2 334.891 3.372 20 30 EGEDLO CCCN(C(=O)[C@H](C)C#N)C1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC001752432404 1440178891 /nfs/dbraw/zinc/17/88/91/1440178891.db2.gz STCIECDVAQMXLL-AUWXEVLLSA-N 1 2 332.275 3.168 20 30 EGEDLO C=CCCCC(=O)N(CCC)C1CC[NH+]([C@@H](C)c2nc(C)no2)CC1 ZINC001752439737 1440180946 /nfs/dbraw/zinc/18/09/46/1440180946.db2.gz NDDWMOFKGYXMNQ-HNNXBMFYSA-N 1 2 348.491 3.498 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1cnsn1 ZINC001753033573 1440273673 /nfs/dbraw/zinc/27/36/73/1440273673.db2.gz OVPWPTOFANGHQK-DOTOQJQBSA-N 1 2 336.505 3.001 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC[C@H]1CCC[N@H+]1Cc1cnsn1 ZINC001753033573 1440273674 /nfs/dbraw/zinc/27/36/74/1440273674.db2.gz OVPWPTOFANGHQK-DOTOQJQBSA-N 1 2 336.505 3.001 20 30 EGEDLO CC[N@H+](CCNC(=O)C1(CC)CCC1)Cc1cc(F)ccc1C#N ZINC001753089025 1440298122 /nfs/dbraw/zinc/29/81/22/1440298122.db2.gz AKPYLGWVZFFWQQ-UHFFFAOYSA-N 1 2 331.435 3.216 20 30 EGEDLO CC[N@@H+](CCNC(=O)C1(CC)CCC1)Cc1cc(F)ccc1C#N ZINC001753089025 1440298123 /nfs/dbraw/zinc/29/81/23/1440298123.db2.gz AKPYLGWVZFFWQQ-UHFFFAOYSA-N 1 2 331.435 3.216 20 30 EGEDLO CC(C)[C@H](C)C(=O)NCC[N@H+](Cc1cc(F)ccc1C#N)C1CC1 ZINC001753160887 1440333755 /nfs/dbraw/zinc/33/37/55/1440333755.db2.gz FIXCFNKMTHNOAX-AWEZNQCLSA-N 1 2 331.435 3.070 20 30 EGEDLO CC(C)[C@H](C)C(=O)NCC[N@@H+](Cc1cc(F)ccc1C#N)C1CC1 ZINC001753160887 1440333756 /nfs/dbraw/zinc/33/37/56/1440333756.db2.gz FIXCFNKMTHNOAX-AWEZNQCLSA-N 1 2 331.435 3.070 20 30 EGEDLO CC#CCCCC(=O)N(CCC)[C@H]1CC[N@@H+]([C@@H](C)c2ncccn2)C1 ZINC001753318898 1440361678 /nfs/dbraw/zinc/36/16/78/1440361678.db2.gz SGVRWIBUFQLRHS-ROUUACIJSA-N 1 2 342.487 3.044 20 30 EGEDLO CC#CCCCC(=O)N(CCC)[C@H]1CC[N@H+]([C@@H](C)c2ncccn2)C1 ZINC001753318898 1440361679 /nfs/dbraw/zinc/36/16/79/1440361679.db2.gz SGVRWIBUFQLRHS-ROUUACIJSA-N 1 2 342.487 3.044 20 30 EGEDLO C=CCC1(C(=O)NC2C[NH+](Cc3ccc(COC)cc3)C2)CCCC1 ZINC001753394437 1440390021 /nfs/dbraw/zinc/39/00/21/1440390021.db2.gz BFVYWUMTFKHKOZ-UHFFFAOYSA-N 1 2 342.483 3.270 20 30 EGEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)CCCC2CCCC2)C1 ZINC001753415910 1440394218 /nfs/dbraw/zinc/39/42/18/1440394218.db2.gz QKIYHACQFSKSJX-UHFFFAOYSA-N 1 2 339.483 3.467 20 30 EGEDLO C=C[C@H](CC)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2csc(CC)n2)C1 ZINC001753441934 1440402043 /nfs/dbraw/zinc/40/20/43/1440402043.db2.gz SANMWSKRTQDAAJ-GDBMZVCRSA-N 1 2 335.517 3.341 20 30 EGEDLO C=C[C@H](CC)CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2csc(CC)n2)C1 ZINC001753441934 1440402044 /nfs/dbraw/zinc/40/20/44/1440402044.db2.gz SANMWSKRTQDAAJ-GDBMZVCRSA-N 1 2 335.517 3.341 20 30 EGEDLO CCN(C(=O)C#CC(C)(C)C)[C@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001753455542 1440408061 /nfs/dbraw/zinc/40/80/61/1440408061.db2.gz KUYYLCVFASTSHJ-INIZCTEOSA-N 1 2 347.890 3.207 20 30 EGEDLO CCN(C(=O)C#CC(C)(C)C)[C@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001753455542 1440408062 /nfs/dbraw/zinc/40/80/62/1440408062.db2.gz KUYYLCVFASTSHJ-INIZCTEOSA-N 1 2 347.890 3.207 20 30 EGEDLO C=CCC1(C(=O)NC[C@H](CC)[NH2+][C@H](C)c2nc(C)no2)CCCC1 ZINC001753497675 1440422213 /nfs/dbraw/zinc/42/22/13/1440422213.db2.gz JCLMPLVHWDOWFS-HIFRSBDPSA-N 1 2 334.464 3.060 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C(C)C)cc2)CCO1 ZINC001753652555 1440456709 /nfs/dbraw/zinc/45/67/09/1440456709.db2.gz KCXJFVBGEYQMIQ-HXUWFJFHSA-N 1 2 344.499 3.483 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C(C)C)cc2)CCO1 ZINC001753652555 1440456710 /nfs/dbraw/zinc/45/67/10/1440456710.db2.gz KCXJFVBGEYQMIQ-HXUWFJFHSA-N 1 2 344.499 3.483 20 30 EGEDLO Cc1cc(C(=O)N(C)CC[N@H+](C)Cc2cc(C#N)ccc2F)oc1C ZINC001753850893 1440506748 /nfs/dbraw/zinc/50/67/48/1440506748.db2.gz KNYNESPGBZWKPY-UHFFFAOYSA-N 1 2 343.402 3.111 20 30 EGEDLO Cc1cc(C(=O)N(C)CC[N@@H+](C)Cc2cc(C#N)ccc2F)oc1C ZINC001753850893 1440506749 /nfs/dbraw/zinc/50/67/49/1440506749.db2.gz KNYNESPGBZWKPY-UHFFFAOYSA-N 1 2 343.402 3.111 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001753861696 1440511971 /nfs/dbraw/zinc/51/19/71/1440511971.db2.gz OVJCRFMEKOUVTC-LJQANCHMSA-N 1 2 331.435 3.190 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001753861696 1440511972 /nfs/dbraw/zinc/51/19/72/1440511972.db2.gz OVJCRFMEKOUVTC-LJQANCHMSA-N 1 2 331.435 3.190 20 30 EGEDLO C[C@@H](CC(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F)C1CC1 ZINC001753869664 1440516751 /nfs/dbraw/zinc/51/67/51/1440516751.db2.gz AZSRDSFWHHURIH-AWEZNQCLSA-N 1 2 331.435 3.024 20 30 EGEDLO C[C@@H](CC(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F)C1CC1 ZINC001753869664 1440516752 /nfs/dbraw/zinc/51/67/52/1440516752.db2.gz AZSRDSFWHHURIH-AWEZNQCLSA-N 1 2 331.435 3.024 20 30 EGEDLO C=C[C@H](C(=O)NC/C=C/C[NH2+][C@H](C)c1ncc(C)o1)c1ccccc1 ZINC001754208719 1440550909 /nfs/dbraw/zinc/55/09/09/1440550909.db2.gz AMRQQRWUJYKSNX-FDRAFAAVSA-N 1 2 339.439 3.276 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(C)n(C(CC)CC)n1 ZINC001754313979 1440574371 /nfs/dbraw/zinc/57/43/71/1440574371.db2.gz ILKZYIYIDDIAFA-CYBMUJFWSA-N 1 2 340.899 3.355 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(C)n(C(CC)CC)n1 ZINC001754313979 1440574372 /nfs/dbraw/zinc/57/43/72/1440574372.db2.gz ILKZYIYIDDIAFA-CYBMUJFWSA-N 1 2 340.899 3.355 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001754332596 1440584802 /nfs/dbraw/zinc/58/48/02/1440584802.db2.gz FFLKLFFALHHVRX-FPMFFAJLSA-N 1 2 342.817 3.257 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001754332596 1440584803 /nfs/dbraw/zinc/58/48/03/1440584803.db2.gz FFLKLFFALHHVRX-FPMFFAJLSA-N 1 2 342.817 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)COc1c(C)cc(C)cc1C ZINC001754333384 1440585043 /nfs/dbraw/zinc/58/50/43/1440585043.db2.gz NLCULTJSBBPRJG-MRXNPFEDSA-N 1 2 338.879 3.180 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)COc1c(C)cc(C)cc1C ZINC001754333384 1440585044 /nfs/dbraw/zinc/58/50/44/1440585044.db2.gz NLCULTJSBBPRJG-MRXNPFEDSA-N 1 2 338.879 3.180 20 30 EGEDLO C=CC1(CC(=O)N[C@H](C)C[N@H+](C)Cc2cc(C)on2)CCCCC1 ZINC001754334993 1440586152 /nfs/dbraw/zinc/58/61/52/1440586152.db2.gz FDWMINXMYRTCOJ-OAHLLOKOSA-N 1 2 333.476 3.446 20 30 EGEDLO C=CC1(CC(=O)N[C@H](C)C[N@@H+](C)Cc2cc(C)on2)CCCCC1 ZINC001754334993 1440586153 /nfs/dbraw/zinc/58/61/53/1440586153.db2.gz FDWMINXMYRTCOJ-OAHLLOKOSA-N 1 2 333.476 3.446 20 30 EGEDLO C=CC1(CC(=O)NC[C@H]2CC[N@H+]2[C@@H](C)c2cnccn2)CCCCC1 ZINC001754497195 1440612770 /nfs/dbraw/zinc/61/27/70/1440612770.db2.gz KQGSAODAQTZGHY-DLBZAZTESA-N 1 2 342.487 3.255 20 30 EGEDLO C=CC1(CC(=O)NC[C@H]2CC[N@@H+]2[C@@H](C)c2cnccn2)CCCCC1 ZINC001754497195 1440612771 /nfs/dbraw/zinc/61/27/71/1440612771.db2.gz KQGSAODAQTZGHY-DLBZAZTESA-N 1 2 342.487 3.255 20 30 EGEDLO C#CCN(C(=O)C[C@H](C=C)CC)C1CC[NH+](Cc2nocc2C)CC1 ZINC001754640476 1440649014 /nfs/dbraw/zinc/64/90/14/1440649014.db2.gz SPUKMQSOTOLTNN-QGZVFWFLSA-N 1 2 343.471 3.012 20 30 EGEDLO C#CCN(C(=O)[C@H](C)[C@H](C)CC)C1CC[NH+](Cc2ncc(C)o2)CC1 ZINC001754642251 1440649271 /nfs/dbraw/zinc/64/92/71/1440649271.db2.gz VAUCHKZIAQCQSK-NVXWUHKLSA-N 1 2 345.487 3.091 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccn(C(C)C)n1 ZINC001755198683 1440778248 /nfs/dbraw/zinc/77/82/48/1440778248.db2.gz FRWAOJPOXCUMOA-SFHVURJKSA-N 1 2 346.519 3.489 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccn(C(C)C)n1 ZINC001755198683 1440778249 /nfs/dbraw/zinc/77/82/49/1440778249.db2.gz FRWAOJPOXCUMOA-SFHVURJKSA-N 1 2 346.519 3.489 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@@H]2C[N@@H+](C)[C@@H](C)c2nc(C)no2)CCC1 ZINC001755198843 1440778579 /nfs/dbraw/zinc/77/85/79/1440778579.db2.gz JBAMSZZZCDUNAR-GOEBONIOSA-N 1 2 346.475 3.108 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@@H]2C[N@H+](C)[C@@H](C)c2nc(C)no2)CCC1 ZINC001755198843 1440778580 /nfs/dbraw/zinc/77/85/80/1440778580.db2.gz JBAMSZZZCDUNAR-GOEBONIOSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ncoc1-c1ccccc1 ZINC001755302028 1440808899 /nfs/dbraw/zinc/80/88/99/1440808899.db2.gz XMYYCONPRMSYNV-ZDUSSCGKSA-N 1 2 333.819 3.144 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ncoc1-c1ccccc1 ZINC001755302028 1440808900 /nfs/dbraw/zinc/80/89/00/1440808900.db2.gz XMYYCONPRMSYNV-ZDUSSCGKSA-N 1 2 333.819 3.144 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H](C)[N@H+](C)Cc1noc2c1CC(C)(C)CC2 ZINC001755311513 1440813506 /nfs/dbraw/zinc/81/35/06/1440813506.db2.gz PYPPJPGQQJUTPT-AWEZNQCLSA-N 1 2 347.503 3.338 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H](C)[N@@H+](C)Cc1noc2c1CC(C)(C)CC2 ZINC001755311513 1440813507 /nfs/dbraw/zinc/81/35/07/1440813507.db2.gz PYPPJPGQQJUTPT-AWEZNQCLSA-N 1 2 347.503 3.338 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CCCCC[N@H+]1Cc1nnc(CC)o1 ZINC001755363326 1440832758 /nfs/dbraw/zinc/83/27/58/1440832758.db2.gz HMLJJESPYBBPOF-HNNXBMFYSA-N 1 2 348.491 3.095 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1nnc(CC)o1 ZINC001755363326 1440832759 /nfs/dbraw/zinc/83/27/59/1440832759.db2.gz HMLJJESPYBBPOF-HNNXBMFYSA-N 1 2 348.491 3.095 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@H]1CCCCC[N@H+]1Cc1nnc(CC)o1 ZINC001755363327 1440832860 /nfs/dbraw/zinc/83/28/60/1440832860.db2.gz HMLJJESPYBBPOF-OAHLLOKOSA-N 1 2 348.491 3.095 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@H]1CCCCC[N@@H+]1Cc1nnc(CC)o1 ZINC001755363327 1440832861 /nfs/dbraw/zinc/83/28/61/1440832861.db2.gz HMLJJESPYBBPOF-OAHLLOKOSA-N 1 2 348.491 3.095 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H](OC)C2CCCCC2)C(C)(C)C1 ZINC001755416817 1440849351 /nfs/dbraw/zinc/84/93/51/1440849351.db2.gz XKGXSIQZVHRLDY-HZPDHXFCSA-N 1 2 342.911 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H](OC)C2CCCCC2)C(C)(C)C1 ZINC001755416817 1440849352 /nfs/dbraw/zinc/84/93/52/1440849352.db2.gz XKGXSIQZVHRLDY-HZPDHXFCSA-N 1 2 342.911 3.161 20 30 EGEDLO C=CCCCC(=O)N1C[C@@H]([NH2+]Cc2nc(C3CCCC3)no2)C[C@@H]1C ZINC001755681389 1440895214 /nfs/dbraw/zinc/89/52/14/1440895214.db2.gz LOXOPMMWYAZFSY-HOCLYGCPSA-N 1 2 346.475 3.163 20 30 EGEDLO CC(C)N(CC[N@H+](C)Cc1ccccc1C#N)C(=O)C1CC2(CC2)C1 ZINC001755812332 1440921062 /nfs/dbraw/zinc/92/10/62/1440921062.db2.gz NINHEAGXOWCGOT-UHFFFAOYSA-N 1 2 339.483 3.417 20 30 EGEDLO CC(C)N(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)C1CC2(CC2)C1 ZINC001755812332 1440921063 /nfs/dbraw/zinc/92/10/63/1440921063.db2.gz NINHEAGXOWCGOT-UHFFFAOYSA-N 1 2 339.483 3.417 20 30 EGEDLO COc1cccc(N2CC[NH+](Cc3cc(C#N)ccc3F)CC2)c1 ZINC000053944544 214206790 /nfs/dbraw/zinc/20/67/90/214206790.db2.gz ZSPHWMHJSKLTLQ-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000056315993 214369181 /nfs/dbraw/zinc/36/91/81/214369181.db2.gz SLXXJLFYIWXYCZ-OAHLLOKOSA-N 1 2 333.407 3.186 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000056315993 214369183 /nfs/dbraw/zinc/36/91/83/214369183.db2.gz SLXXJLFYIWXYCZ-OAHLLOKOSA-N 1 2 333.407 3.186 20 30 EGEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000181194045 234114038 /nfs/dbraw/zinc/11/40/38/234114038.db2.gz QJJAYMXNCMYOGV-ZDUSSCGKSA-N 1 2 342.830 3.059 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCn3c(cc4ccccc43)C2)cc1 ZINC000347525569 283175089 /nfs/dbraw/zinc/17/50/89/283175089.db2.gz SXMJRWJLZHGQNF-UHFFFAOYSA-N 1 2 344.418 3.357 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCn3c(cc4ccccc43)C2)cc1 ZINC000347525569 283175096 /nfs/dbraw/zinc/17/50/96/283175096.db2.gz SXMJRWJLZHGQNF-UHFFFAOYSA-N 1 2 344.418 3.357 20 30 EGEDLO COc1ccc(OC)c2c1C[N@@H+]([C@H](C)c1ccc(C#N)cc1)C[C@@H]2O ZINC000246268557 243220355 /nfs/dbraw/zinc/22/03/55/243220355.db2.gz AYTJEEXMTDZXGY-DYVFJYSZSA-N 1 2 338.407 3.186 20 30 EGEDLO COc1ccc(OC)c2c1C[N@H+]([C@H](C)c1ccc(C#N)cc1)C[C@@H]2O ZINC000246268557 243220362 /nfs/dbraw/zinc/22/03/62/243220362.db2.gz AYTJEEXMTDZXGY-DYVFJYSZSA-N 1 2 338.407 3.186 20 30 EGEDLO C=CC[NH+](CC=C)CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000078636198 217091734 /nfs/dbraw/zinc/09/17/34/217091734.db2.gz BMCXGEXXTNKIDQ-UHFFFAOYSA-N 1 2 338.455 3.410 20 30 EGEDLO C[C@H]1CN(c2ccc(CNc3ccc(C#N)c(Cl)c3)c[nH+]2)CCO1 ZINC000264453074 246517892 /nfs/dbraw/zinc/51/78/92/246517892.db2.gz WDTZENQEJRLGHG-ZDUSSCGKSA-N 1 2 342.830 3.444 20 30 EGEDLO N#Cc1ccc(C2=CCN(C(=O)Cc3cn4ccccc4[nH+]3)CC2)cc1 ZINC000378353463 169106051 /nfs/dbraw/zinc/10/60/51/169106051.db2.gz DISGYZZBCUSBKN-UHFFFAOYSA-N 1 2 342.402 3.064 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000268673933 252127197 /nfs/dbraw/zinc/12/71/97/252127197.db2.gz KUEQOKVUYQUGQL-QUCCMNQESA-N 1 2 340.398 3.022 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000268673933 252127200 /nfs/dbraw/zinc/12/72/00/252127200.db2.gz KUEQOKVUYQUGQL-QUCCMNQESA-N 1 2 340.398 3.022 20 30 EGEDLO C#CCC(C)(C)C(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000274349560 532993930 /nfs/dbraw/zinc/99/39/30/532993930.db2.gz OTQZDPZDUSPECL-UHFFFAOYSA-N 1 2 347.462 3.310 20 30 EGEDLO CC[C@H](CC#N)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000097377725 219019468 /nfs/dbraw/zinc/01/94/68/219019468.db2.gz NIKVBZDRMOWLTA-BFYDXBDKSA-N 1 2 344.459 3.110 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](c3nc(C)no3)C2)c1C ZINC000069388472 258006015 /nfs/dbraw/zinc/00/60/15/258006015.db2.gz SBGURTWUYTUSPV-INIZCTEOSA-N 1 2 342.443 3.045 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)c1C ZINC000069388472 258006016 /nfs/dbraw/zinc/00/60/16/258006016.db2.gz SBGURTWUYTUSPV-INIZCTEOSA-N 1 2 342.443 3.045 20 30 EGEDLO N#Cc1cccc(C[NH2+]Cc2cn(-c3ccc(F)cc3Cl)nn2)c1 ZINC000339487656 141122225 /nfs/dbraw/zinc/12/22/25/141122225.db2.gz NDBUXYXIIMWBLG-UHFFFAOYSA-N 1 2 341.777 3.221 20 30 EGEDLO C[C@H](c1nccs1)N1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000192190070 144171940 /nfs/dbraw/zinc/17/19/40/144171940.db2.gz HIIAQZOVEYZEHF-CYBMUJFWSA-N 1 2 330.432 3.033 20 30 EGEDLO C[N@H+](Cc1ccc(Br)cn1)Cc1cc(C#N)ccc1F ZINC000351840849 144315086 /nfs/dbraw/zinc/31/50/86/144315086.db2.gz GUBKXIPZRXNOPZ-UHFFFAOYSA-N 1 2 334.192 3.487 20 30 EGEDLO C[N@@H+](Cc1ccc(Br)cn1)Cc1cc(C#N)ccc1F ZINC000351840849 144315088 /nfs/dbraw/zinc/31/50/88/144315088.db2.gz GUBKXIPZRXNOPZ-UHFFFAOYSA-N 1 2 334.192 3.487 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](Nc1nccc(C#N)c1Cl)c1cccc(F)c1 ZINC000341456520 155303288 /nfs/dbraw/zinc/30/32/88/155303288.db2.gz BYAVZRUYNFGYLF-HNNXBMFYSA-N 1 2 341.777 3.103 20 30 EGEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000115533147 152018078 /nfs/dbraw/zinc/01/80/78/152018078.db2.gz HZISKKYIDQUOMS-LJQANCHMSA-N 1 2 335.382 3.013 20 30 EGEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000115533147 152018100 /nfs/dbraw/zinc/01/81/00/152018100.db2.gz HZISKKYIDQUOMS-LJQANCHMSA-N 1 2 335.382 3.013 20 30 EGEDLO COc1cc(C#N)ccc1CN(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000121068364 152322567 /nfs/dbraw/zinc/32/25/67/152322567.db2.gz TZCHZULYUQSZCI-UHFFFAOYSA-N 1 2 346.434 3.444 20 30 EGEDLO COCC[N@H+](Cc1cc(C#N)n(C)c1)Cc1ccc(F)cc1Cl ZINC000191345353 153188563 /nfs/dbraw/zinc/18/85/63/153188563.db2.gz WZCGLLMLWIHTGS-UHFFFAOYSA-N 1 2 335.810 3.338 20 30 EGEDLO COCC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccc(F)cc1Cl ZINC000191345353 153188568 /nfs/dbraw/zinc/18/85/68/153188568.db2.gz WZCGLLMLWIHTGS-UHFFFAOYSA-N 1 2 335.810 3.338 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)cc1F ZINC000191955491 153234801 /nfs/dbraw/zinc/23/48/01/153234801.db2.gz OCGYAQQQYLZLJC-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)cc1F ZINC000191955491 153234807 /nfs/dbraw/zinc/23/48/07/153234807.db2.gz OCGYAQQQYLZLJC-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO Cc1ccnc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)c1C#N ZINC000343512148 155836084 /nfs/dbraw/zinc/83/60/84/155836084.db2.gz NWBBYAKGQFLSRB-UHFFFAOYSA-N 1 2 349.463 3.194 20 30 EGEDLO Cc1noc([C@@H]([NH2+][C@H](C)c2cccc(C#N)c2)C2CCOCC2)n1 ZINC000345299456 156041611 /nfs/dbraw/zinc/04/16/11/156041611.db2.gz IWZJEUPZTAPPOJ-PXAZEXFGSA-N 1 2 326.400 3.068 20 30 EGEDLO N#Cc1ccc(C2=CC[N@H+](Cc3nc(N)c4ccccc4n3)CC2)cc1 ZINC000372420162 157326222 /nfs/dbraw/zinc/32/62/22/157326222.db2.gz JCUOKLOFNSQOBE-UHFFFAOYSA-N 1 2 341.418 3.203 20 30 EGEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3nc(N)c4ccccc4n3)CC2)cc1 ZINC000372420162 157326226 /nfs/dbraw/zinc/32/62/26/157326226.db2.gz JCUOKLOFNSQOBE-UHFFFAOYSA-N 1 2 341.418 3.203 20 30 EGEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000125931856 162291107 /nfs/dbraw/zinc/29/11/07/162291107.db2.gz ZBCJHFYFOKOZAA-HNNXBMFYSA-N 1 2 337.398 3.103 20 30 EGEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000125931856 162291110 /nfs/dbraw/zinc/29/11/10/162291110.db2.gz ZBCJHFYFOKOZAA-HNNXBMFYSA-N 1 2 337.398 3.103 20 30 EGEDLO COc1ccc(C#N)cc1C[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000337201981 163162035 /nfs/dbraw/zinc/16/20/35/163162035.db2.gz DQRMXIVUNRXQAJ-HNNXBMFYSA-N 1 2 334.778 3.183 20 30 EGEDLO Cc1ccc(C(=O)CCN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000359840640 167245700 /nfs/dbraw/zinc/24/57/00/167245700.db2.gz IJBPKTARFOCSGG-UHFFFAOYSA-N 1 2 347.462 3.257 20 30 EGEDLO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000359892523 167259594 /nfs/dbraw/zinc/25/95/94/167259594.db2.gz HVKWWUAQOMFMAP-CQSZACIVSA-N 1 2 346.390 3.391 20 30 EGEDLO C[C@@H]1COc2ccccc2C[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000359892523 167259597 /nfs/dbraw/zinc/25/95/97/167259597.db2.gz HVKWWUAQOMFMAP-CQSZACIVSA-N 1 2 346.390 3.391 20 30 EGEDLO N#Cc1ccc(Br)c(CN2CCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000365191430 168032853 /nfs/dbraw/zinc/03/28/53/168032853.db2.gz LPCFYVBTTPRDFO-AWEZNQCLSA-N 1 2 331.217 3.381 20 30 EGEDLO Cc1ccc(C(=O)N2CC[NH2+][C@H](c3ccccc3Cl)C2)cc1C#N ZINC000366908180 168154924 /nfs/dbraw/zinc/15/49/24/168154924.db2.gz CNBDFNJEOAQKKC-SFHVURJKSA-N 1 2 339.826 3.307 20 30 EGEDLO Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccccc3Cl)C2)cc1C#N ZINC000366908179 168155191 /nfs/dbraw/zinc/15/51/91/168155191.db2.gz CNBDFNJEOAQKKC-GOSISDBHSA-N 1 2 339.826 3.307 20 30 EGEDLO CSc1ccc(NCc2cn(C)nc2-c2ccc(C#N)cc2)[nH+]c1 ZINC000367944348 168286560 /nfs/dbraw/zinc/28/65/60/168286560.db2.gz XQUROUUWNBUODM-UHFFFAOYSA-N 1 2 335.436 3.110 20 30 EGEDLO Cc1cc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)c(C#N)c[nH+]1 ZINC000497256613 269914179 /nfs/dbraw/zinc/91/41/79/269914179.db2.gz HKEJJOULLFFNLB-CQSZACIVSA-N 1 2 344.459 3.391 20 30 EGEDLO N#Cc1ccccc1OCC[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000426875003 270049889 /nfs/dbraw/zinc/04/98/89/270049889.db2.gz LWQQFTCUWZZHGT-UHFFFAOYSA-N 1 2 343.377 3.037 20 30 EGEDLO N#Cc1ccccc1C[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000178010271 265291031 /nfs/dbraw/zinc/29/10/31/265291031.db2.gz ZALAZFWPVYZGGB-UHFFFAOYSA-N 1 2 334.448 3.490 20 30 EGEDLO Cc1ccc2sc(C[NH+]3CCN(c4cc(C#N)ccn4)CC3)nc2c1 ZINC000528349084 270060089 /nfs/dbraw/zinc/06/00/89/270060089.db2.gz GGIWTJMAVJGBGM-UHFFFAOYSA-N 1 2 349.463 3.194 20 30 EGEDLO COC(=O)c1cccc(COc2cccc(-n3cc[nH+]c3)c2)c1C#N ZINC000533715431 270061183 /nfs/dbraw/zinc/06/11/83/270061183.db2.gz RERVWJIKVSXCOX-UHFFFAOYSA-N 1 2 333.347 3.110 20 30 EGEDLO CCN(CC)c1ccc(CNC(=O)c2cc(C#N)ccc2Cl)c[nH+]1 ZINC000285265097 266121411 /nfs/dbraw/zinc/12/14/11/266121411.db2.gz XUTDOAKLERDPAN-UHFFFAOYSA-N 1 2 342.830 3.383 20 30 EGEDLO C[C@@H](NC(=O)CNc1cccc(C#N)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000163544156 266948923 /nfs/dbraw/zinc/94/89/23/266948923.db2.gz UFRRRHILDIEMLZ-OAHLLOKOSA-N 1 2 345.406 3.033 20 30 EGEDLO CCC[N@H+](Cc1nc(C(=O)OC)cs1)Cc1ccc(C#N)cc1 ZINC000450260327 267016453 /nfs/dbraw/zinc/01/64/53/267016453.db2.gz JGCSGHQVCKPQCJ-UHFFFAOYSA-N 1 2 329.425 3.214 20 30 EGEDLO CCC[N@@H+](Cc1nc(C(=O)OC)cs1)Cc1ccc(C#N)cc1 ZINC000450260327 267016454 /nfs/dbraw/zinc/01/64/54/267016454.db2.gz JGCSGHQVCKPQCJ-UHFFFAOYSA-N 1 2 329.425 3.214 20 30 EGEDLO C[C@@H]1CN(c2ccc(NCc3ccc(C#N)cc3F)c[nH+]2)C[C@@H](C)O1 ZINC000269468841 267063963 /nfs/dbraw/zinc/06/39/63/267063963.db2.gz ZQYLSVQWFILLQP-ZIAGYGMSSA-N 1 2 340.402 3.318 20 30 EGEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000371463103 267123173 /nfs/dbraw/zinc/12/31/73/267123173.db2.gz HEKZZDWXROSQCI-IIBYNOLFSA-N 1 2 347.418 3.423 20 30 EGEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000371463103 267123174 /nfs/dbraw/zinc/12/31/74/267123174.db2.gz HEKZZDWXROSQCI-IIBYNOLFSA-N 1 2 347.418 3.423 20 30 EGEDLO CN(Cc1[nH]cc[nH+]1)c1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC000428128020 267323517 /nfs/dbraw/zinc/32/35/17/267323517.db2.gz ZHICPJFKFABLRC-UHFFFAOYSA-N 1 2 329.310 3.067 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000275606805 267390673 /nfs/dbraw/zinc/39/06/73/267390673.db2.gz LHIAPWCOUWBIHN-AWEZNQCLSA-N 1 2 328.437 3.155 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000275606805 267390676 /nfs/dbraw/zinc/39/06/76/267390676.db2.gz LHIAPWCOUWBIHN-AWEZNQCLSA-N 1 2 328.437 3.155 20 30 EGEDLO Cc1ccc[nH+]c1CCCNc1ncc(Br)cc1C#N ZINC000295070005 267508144 /nfs/dbraw/zinc/50/81/44/267508144.db2.gz WFLNLLHCSYFRMC-UHFFFAOYSA-N 1 2 331.217 3.464 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c(C#N)c1C ZINC000289704802 267752054 /nfs/dbraw/zinc/75/20/54/267752054.db2.gz ITQFJFRFRYKGIS-ZBFHGGJFSA-N 1 2 347.484 3.065 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c(C#N)c1C ZINC000289704802 267752056 /nfs/dbraw/zinc/75/20/56/267752056.db2.gz ITQFJFRFRYKGIS-ZBFHGGJFSA-N 1 2 347.484 3.065 20 30 EGEDLO N#Cc1ccc(CNc2ccc(Cl)c(C[NH+]3CCOCC3)c2)o1 ZINC000281760208 268077321 /nfs/dbraw/zinc/07/73/21/268077321.db2.gz SKFARIXLYVRCED-UHFFFAOYSA-N 1 2 331.803 3.249 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)c1cccc(C#N)c1 ZINC000527528123 268079185 /nfs/dbraw/zinc/07/91/85/268079185.db2.gz BKADRMZLYFJRAP-UHFFFAOYSA-N 1 2 340.333 3.158 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416096739 268080163 /nfs/dbraw/zinc/08/01/63/268080163.db2.gz IHOTYSSCQMVIHV-GOSISDBHSA-N 1 2 344.418 3.410 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2cc(F)cc(F)c2)c(C#N)c1C ZINC000444695583 268104373 /nfs/dbraw/zinc/10/43/73/268104373.db2.gz MIHMNYKXDLVEJA-UHFFFAOYSA-N 1 2 333.338 3.117 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+](C)Cc2cc(F)cc(F)c2)c(C#N)c1C ZINC000444695583 268104375 /nfs/dbraw/zinc/10/43/75/268104375.db2.gz MIHMNYKXDLVEJA-UHFFFAOYSA-N 1 2 333.338 3.117 20 30 EGEDLO Cc1occc1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000414372689 268105785 /nfs/dbraw/zinc/10/57/85/268105785.db2.gz QEMUJSPAGZGLPF-UHFFFAOYSA-N 1 2 338.367 3.030 20 30 EGEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCCC[C@@H]3c3cc[nH]n3)C2=O)cc1 ZINC000285366614 268110890 /nfs/dbraw/zinc/11/08/90/268110890.db2.gz MGUGXYZTPGJYLJ-RTBURBONSA-N 1 2 349.438 3.004 20 30 EGEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCCC[C@@H]3c3cc[nH]n3)C2=O)cc1 ZINC000285366614 268110892 /nfs/dbraw/zinc/11/08/92/268110892.db2.gz MGUGXYZTPGJYLJ-RTBURBONSA-N 1 2 349.438 3.004 20 30 EGEDLO N#Cc1cc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c[nH]1 ZINC000444534656 268178652 /nfs/dbraw/zinc/17/86/52/268178652.db2.gz IYGMUTLYSWWZPL-UHFFFAOYSA-N 1 2 331.379 3.338 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(CCOC3CCCCCC3)CC2)cc1 ZINC000525423009 268220771 /nfs/dbraw/zinc/22/07/71/268220771.db2.gz QZSGGAHYCMNJFG-UHFFFAOYSA-N 1 2 341.499 3.415 20 30 EGEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC=C(c3ccco3)C2)C1=O ZINC000285219700 268303610 /nfs/dbraw/zinc/30/36/10/268303610.db2.gz FFQLZUDMLQXMSX-HNNXBMFYSA-N 1 2 339.420 3.107 20 30 EGEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC=C(c3ccco3)C2)C1=O ZINC000285219700 268303612 /nfs/dbraw/zinc/30/36/12/268303612.db2.gz FFQLZUDMLQXMSX-HNNXBMFYSA-N 1 2 339.420 3.107 20 30 EGEDLO CC1(C)C[N@H+](CCOc2cccc(C#N)c2)C[C@](C)(C(F)(F)F)O1 ZINC000550239958 315121248 /nfs/dbraw/zinc/12/12/48/315121248.db2.gz MSFLHGCTLXQCLK-MRXNPFEDSA-N 1 2 342.361 3.369 20 30 EGEDLO CC1(C)C[N@@H+](CCOc2cccc(C#N)c2)C[C@](C)(C(F)(F)F)O1 ZINC000550239958 315121251 /nfs/dbraw/zinc/12/12/51/315121251.db2.gz MSFLHGCTLXQCLK-MRXNPFEDSA-N 1 2 342.361 3.369 20 30 EGEDLO COc1ccc(-c2nnc(C[NH2+]C3(c4cccc(C#N)c4)CC3)o2)cc1 ZINC000551714028 315164966 /nfs/dbraw/zinc/16/49/66/315164966.db2.gz QNYHKLZOAQYMIG-UHFFFAOYSA-N 1 2 346.390 3.396 20 30 EGEDLO Cc1cc(C(F)(F)F)c(C#N)c(SCC[N@H+]2CCO[C@H](C)C2)n1 ZINC000298258329 456406563 /nfs/dbraw/zinc/40/65/63/456406563.db2.gz KOIUZAGAOCZIIT-LLVKDONJSA-N 1 2 345.390 3.093 20 30 EGEDLO C[C@]1(C#N)CCC[N@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000612158320 460555672 /nfs/dbraw/zinc/55/56/72/460555672.db2.gz KNPFEGRNKDTZOK-HXUWFJFHSA-N 1 2 337.423 3.335 20 30 EGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000612158320 460555674 /nfs/dbraw/zinc/55/56/74/460555674.db2.gz KNPFEGRNKDTZOK-HXUWFJFHSA-N 1 2 337.423 3.335 20 30 EGEDLO C[C@@]1(C#N)CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000612166329 460558940 /nfs/dbraw/zinc/55/89/40/460558940.db2.gz CCGWJYVEYNBYQE-CJNGLKHVSA-N 1 2 343.254 3.359 20 30 EGEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000612166329 460558944 /nfs/dbraw/zinc/55/89/44/460558944.db2.gz CCGWJYVEYNBYQE-CJNGLKHVSA-N 1 2 343.254 3.359 20 30 EGEDLO N#Cc1ccc(CCC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000024750593 453745452 /nfs/dbraw/zinc/74/54/52/453745452.db2.gz QEQTUMUFMPGPED-UHFFFAOYSA-N 1 2 344.418 3.052 20 30 EGEDLO Cc1cc(N2CCN(Cc3ccccc3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000027545471 453818154 /nfs/dbraw/zinc/81/81/54/453818154.db2.gz XROBTGUPPAFWGW-UHFFFAOYSA-N 1 2 335.455 3.102 20 30 EGEDLO C=CC[N@@H+](CCSc1ccc(C)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000066560578 453851449 /nfs/dbraw/zinc/85/14/49/453851449.db2.gz SIIGOOXMRSFURJ-INIZCTEOSA-N 1 2 339.526 3.071 20 30 EGEDLO C=CC[N@H+](CCSc1ccc(C)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000066560578 453851453 /nfs/dbraw/zinc/85/14/53/453851453.db2.gz SIIGOOXMRSFURJ-INIZCTEOSA-N 1 2 339.526 3.071 20 30 EGEDLO C=CCOc1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC000081288286 453856199 /nfs/dbraw/zinc/85/61/99/453856199.db2.gz GVALODRZCDWMMH-LJQANCHMSA-N 1 2 337.423 3.250 20 30 EGEDLO C=CCOc1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC000081288286 453856201 /nfs/dbraw/zinc/85/62/01/453856201.db2.gz GVALODRZCDWMMH-LJQANCHMSA-N 1 2 337.423 3.250 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000181738368 455377459 /nfs/dbraw/zinc/37/74/59/455377459.db2.gz UKNNMQRRPHAVJC-MEDUHNTESA-N 1 2 325.815 3.184 20 30 EGEDLO CCc1[nH+]c2ccccc2n1CC(=O)N(C)Cc1cccc(C#N)c1 ZINC000032459490 453874016 /nfs/dbraw/zinc/87/40/16/453874016.db2.gz BNVOLKXOVVFQOI-UHFFFAOYSA-N 1 2 332.407 3.129 20 30 EGEDLO N#CC1(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)CCCCC1 ZINC000032832945 453893890 /nfs/dbraw/zinc/89/38/90/453893890.db2.gz OKSPSYJCWFHHHF-FQEVSTJZSA-N 1 2 348.450 3.103 20 30 EGEDLO CC(C)[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccn1 ZINC000075642869 453914455 /nfs/dbraw/zinc/91/44/55/453914455.db2.gz NSVOAPWJKGYDNQ-UHFFFAOYSA-N 1 2 333.395 3.414 20 30 EGEDLO CC(C)[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccn1 ZINC000075642869 453914456 /nfs/dbraw/zinc/91/44/56/453914456.db2.gz NSVOAPWJKGYDNQ-UHFFFAOYSA-N 1 2 333.395 3.414 20 30 EGEDLO Cn1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000612406145 460622461 /nfs/dbraw/zinc/62/24/61/460622461.db2.gz JDVLNAUKLWGCAF-GOSISDBHSA-N 1 2 339.399 3.121 20 30 EGEDLO Cn1cc(C[N@H+]2CCC[C@](C)(C#N)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000612406145 460622466 /nfs/dbraw/zinc/62/24/66/460622466.db2.gz JDVLNAUKLWGCAF-GOSISDBHSA-N 1 2 339.399 3.121 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)NCC#Cc1ccccc1 ZINC000043470621 454063394 /nfs/dbraw/zinc/06/33/94/454063394.db2.gz PXZJIZXCVIFSNG-UHFFFAOYSA-N 1 2 346.434 3.086 20 30 EGEDLO CCOc1ccc(C#N)cc1NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000088374752 454101572 /nfs/dbraw/zinc/10/15/72/454101572.db2.gz BSDPYSWEGVJEMK-OAHLLOKOSA-N 1 2 339.399 3.439 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCNc1c(C#N)nnc2ccccc21 ZINC000077486671 454112149 /nfs/dbraw/zinc/11/21/49/454112149.db2.gz AOSICNMPIAPNHQ-UHFFFAOYSA-N 1 2 328.379 3.272 20 30 EGEDLO C[C@H](CC#N)N(C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246065992 455420177 /nfs/dbraw/zinc/42/01/77/455420177.db2.gz GRJMMIGPVABGKN-OAGGEKHMSA-N 1 2 344.459 3.062 20 30 EGEDLO C[C@H](CC#N)N(C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246065992 455420183 /nfs/dbraw/zinc/42/01/83/455420183.db2.gz GRJMMIGPVABGKN-OAGGEKHMSA-N 1 2 344.459 3.062 20 30 EGEDLO CCc1nc([C@H](C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)cs1 ZINC000184683954 455427277 /nfs/dbraw/zinc/42/72/77/455427277.db2.gz VJTYSWFBXWYKNB-ZDUSSCGKSA-N 1 2 334.489 3.041 20 30 EGEDLO N#Cc1cc(F)ccc1N1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000078265356 454220286 /nfs/dbraw/zinc/22/02/86/454220286.db2.gz JWPKIRJONJYJBV-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000120514175 454312179 /nfs/dbraw/zinc/31/21/79/454312179.db2.gz SOSHTFBSKODJAB-YQQAZPJKSA-N 1 2 334.485 3.099 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000120514175 454312183 /nfs/dbraw/zinc/31/21/83/454312183.db2.gz SOSHTFBSKODJAB-YQQAZPJKSA-N 1 2 334.485 3.099 20 30 EGEDLO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000060995601 454324415 /nfs/dbraw/zinc/32/44/15/454324415.db2.gz DTPFZTMAZHCWOX-KPZWWZAWSA-N 1 2 342.468 3.098 20 30 EGEDLO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000060995601 454324419 /nfs/dbraw/zinc/32/44/19/454324419.db2.gz DTPFZTMAZHCWOX-KPZWWZAWSA-N 1 2 342.468 3.098 20 30 EGEDLO Cc1cc(N2CCN(c3ccc(C#N)cc3F)CC2)nc(C(C)C)[nH+]1 ZINC000063508281 454420525 /nfs/dbraw/zinc/42/05/25/454420525.db2.gz GBWAZZCCPKLRKT-UHFFFAOYSA-N 1 2 339.418 3.246 20 30 EGEDLO CC(C)[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccn1 ZINC000048273003 454466115 /nfs/dbraw/zinc/46/61/15/454466115.db2.gz NUPMOXVYKCNCTA-UHFFFAOYSA-N 1 2 342.830 3.456 20 30 EGEDLO CC(C)[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccn1 ZINC000048273003 454466119 /nfs/dbraw/zinc/46/61/19/454466119.db2.gz NUPMOXVYKCNCTA-UHFFFAOYSA-N 1 2 342.830 3.456 20 30 EGEDLO Cc1ccn2cc(CNC(=O)N[C@@H](C)c3ccc(C#N)cc3)[nH+]c2c1 ZINC000080103556 454533708 /nfs/dbraw/zinc/53/37/08/454533708.db2.gz GGJOHXYFEVAINA-AWEZNQCLSA-N 1 2 333.395 3.075 20 30 EGEDLO CCOc1ccc(O)c(/C=[NH+]/CCc2ccc(NC(C)=O)cc2)c1 ZINC000103348637 454550327 /nfs/dbraw/zinc/55/03/27/454550327.db2.gz JFBMVWXNMYTLQW-DEDYPNTBSA-N 1 2 326.396 3.411 20 30 EGEDLO C=CC[N@H+](Cc1cccc(OC2CCCC2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361098 454555834 /nfs/dbraw/zinc/55/58/34/454555834.db2.gz GAESFRHMVIMGSP-KRWDZBQOSA-N 1 2 349.496 3.183 20 30 EGEDLO C=CC[N@@H+](Cc1cccc(OC2CCCC2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361098 454555839 /nfs/dbraw/zinc/55/58/39/454555839.db2.gz GAESFRHMVIMGSP-KRWDZBQOSA-N 1 2 349.496 3.183 20 30 EGEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1ncc(CC)s1 ZINC000175507429 455455691 /nfs/dbraw/zinc/45/56/91/455455691.db2.gz QBWUVXVUFPRFJQ-MRXNPFEDSA-N 1 2 346.496 3.306 20 30 EGEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)Cc1ncc(CC)s1 ZINC000175507429 455455697 /nfs/dbraw/zinc/45/56/97/455455697.db2.gz QBWUVXVUFPRFJQ-MRXNPFEDSA-N 1 2 346.496 3.306 20 30 EGEDLO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000123027431 454593551 /nfs/dbraw/zinc/59/35/51/454593551.db2.gz OXZSVXLBISTJGI-UHFFFAOYSA-N 1 2 333.407 3.140 20 30 EGEDLO CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000123027431 454593556 /nfs/dbraw/zinc/59/35/56/454593556.db2.gz OXZSVXLBISTJGI-UHFFFAOYSA-N 1 2 333.407 3.140 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC000104696111 454596115 /nfs/dbraw/zinc/59/61/15/454596115.db2.gz WKDCCCUGWLGOKW-UHFFFAOYSA-N 1 2 349.425 3.472 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC000104696111 454596121 /nfs/dbraw/zinc/59/61/21/454596121.db2.gz WKDCCCUGWLGOKW-UHFFFAOYSA-N 1 2 349.425 3.472 20 30 EGEDLO COc1cc(C#N)ccc1Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000092918179 454653478 /nfs/dbraw/zinc/65/34/78/454653478.db2.gz HTXOFMOKPMCWCJ-UHFFFAOYSA-N 1 2 332.285 3.379 20 30 EGEDLO CCN(CC#N)C(=O)c1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000124165680 454702898 /nfs/dbraw/zinc/70/28/98/454702898.db2.gz IRWZUQJGECCRPM-UHFFFAOYSA-N 1 2 348.406 3.207 20 30 EGEDLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2sccc2C#N)s1 ZINC000106877272 454726130 /nfs/dbraw/zinc/72/61/30/454726130.db2.gz BTNNQNJPJPOCPU-SNVBAGLBSA-N 1 2 334.470 3.325 20 30 EGEDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2sccc2C#N)s1 ZINC000106877272 454726133 /nfs/dbraw/zinc/72/61/33/454726133.db2.gz BTNNQNJPJPOCPU-SNVBAGLBSA-N 1 2 334.470 3.325 20 30 EGEDLO N#Cc1ccc(NC(=O)CC[N@@H+](CC(F)F)C2CC2)cc1Cl ZINC000106871982 454726551 /nfs/dbraw/zinc/72/65/51/454726551.db2.gz HBQVVGDAXBQOSS-UHFFFAOYSA-N 1 2 327.762 3.270 20 30 EGEDLO N#Cc1ccc(NC(=O)CC[N@H+](CC(F)F)C2CC2)cc1Cl ZINC000106871982 454726556 /nfs/dbraw/zinc/72/65/56/454726556.db2.gz HBQVVGDAXBQOSS-UHFFFAOYSA-N 1 2 327.762 3.270 20 30 EGEDLO Cc1cc(Cl)ccc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000136221228 454729834 /nfs/dbraw/zinc/72/98/34/454729834.db2.gz REDKNVDBHPVINX-AWEZNQCLSA-N 1 2 341.846 3.021 20 30 EGEDLO Cc1cc(Cl)ccc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000136221228 454729839 /nfs/dbraw/zinc/72/98/39/454729839.db2.gz REDKNVDBHPVINX-AWEZNQCLSA-N 1 2 341.846 3.021 20 30 EGEDLO N#C[C@@H](NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1)C1CCCCC1 ZINC000176600337 454762388 /nfs/dbraw/zinc/76/23/88/454762388.db2.gz JSCGNXDBEMVNMR-UFUQCMIWSA-N 1 2 334.423 3.474 20 30 EGEDLO CCN(CC)C(=O)[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccccc1 ZINC000139027812 454801398 /nfs/dbraw/zinc/80/13/98/454801398.db2.gz OWCFKEUOQDVQRU-LJQANCHMSA-N 1 2 339.414 3.397 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000125347518 454816089 /nfs/dbraw/zinc/81/60/89/454816089.db2.gz ZFSOOGQTXLNILD-KRWDZBQOSA-N 1 2 340.814 3.382 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000125347518 454816093 /nfs/dbraw/zinc/81/60/93/454816093.db2.gz ZFSOOGQTXLNILD-KRWDZBQOSA-N 1 2 340.814 3.382 20 30 EGEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NCCc1ccc(Cl)cc1 ZINC000109813291 454838580 /nfs/dbraw/zinc/83/85/80/454838580.db2.gz TWGDDIDONZTOMO-UHFFFAOYSA-N 1 2 335.879 3.260 20 30 EGEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NCCc1ccc(Cl)cc1 ZINC000109813291 454838582 /nfs/dbraw/zinc/83/85/82/454838582.db2.gz TWGDDIDONZTOMO-UHFFFAOYSA-N 1 2 335.879 3.260 20 30 EGEDLO CC[C@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@H](C)O1 ZINC000111694423 454872343 /nfs/dbraw/zinc/87/23/43/454872343.db2.gz OCGWFSRCOPVRNZ-YOEHRIQHSA-N 1 2 349.862 3.086 20 30 EGEDLO CC[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@H](C)O1 ZINC000111694423 454872347 /nfs/dbraw/zinc/87/23/47/454872347.db2.gz OCGWFSRCOPVRNZ-YOEHRIQHSA-N 1 2 349.862 3.086 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000177723187 454896066 /nfs/dbraw/zinc/89/60/66/454896066.db2.gz DCTDEVJLYFIYMX-UHFFFAOYSA-N 1 2 337.423 3.067 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000177723187 454896069 /nfs/dbraw/zinc/89/60/69/454896069.db2.gz DCTDEVJLYFIYMX-UHFFFAOYSA-N 1 2 337.423 3.067 20 30 EGEDLO Cc1cnc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)s1 ZINC000185008552 455486080 /nfs/dbraw/zinc/48/60/80/455486080.db2.gz SSWSCNPXNUXIHO-AWEZNQCLSA-N 1 2 328.441 3.049 20 30 EGEDLO CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000114725230 454974408 /nfs/dbraw/zinc/97/44/08/454974408.db2.gz PXFLEMNTQBJQQU-MRXNPFEDSA-N 1 2 343.471 3.248 20 30 EGEDLO CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000114725230 454974410 /nfs/dbraw/zinc/97/44/10/454974410.db2.gz PXFLEMNTQBJQQU-MRXNPFEDSA-N 1 2 343.471 3.248 20 30 EGEDLO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3ccc(C)[nH+]c3C)C2)n1 ZINC000119038341 455121548 /nfs/dbraw/zinc/12/15/48/455121548.db2.gz SGEUQPPFBQTQLM-QGZVFWFLSA-N 1 2 349.438 3.129 20 30 EGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Nc1ccc(F)c(C#N)c1)C2 ZINC000182976817 455202728 /nfs/dbraw/zinc/20/27/28/455202728.db2.gz HBJVTPMZWRNJOL-UHFFFAOYSA-N 1 2 341.390 3.144 20 30 EGEDLO C#CCN(Cc1ccc(F)cc1)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000173456672 455286041 /nfs/dbraw/zinc/28/60/41/455286041.db2.gz XTDGEZVSHFNQNA-UHFFFAOYSA-N 1 2 342.418 3.023 20 30 EGEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000158333315 455293459 /nfs/dbraw/zinc/29/34/59/455293459.db2.gz ZMMBVQLNZDNVEV-UHFFFAOYSA-N 1 2 338.382 3.498 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CCN1C(=O)OC(C)(C)C ZINC000265995726 455420793 /nfs/dbraw/zinc/42/07/93/455420793.db2.gz HPBRORAJQDQGNN-OAHLLOKOSA-N 1 2 345.443 3.030 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCN1C(=O)OC(C)(C)C ZINC000265995726 455420796 /nfs/dbraw/zinc/42/07/96/455420796.db2.gz HPBRORAJQDQGNN-OAHLLOKOSA-N 1 2 345.443 3.030 20 30 EGEDLO Cc1cc([C@H]([NH2+]CC(=O)NCC#N)c2ccccc2Cl)ccc1F ZINC000175134910 455422184 /nfs/dbraw/zinc/42/21/84/455422184.db2.gz MKEQFEIBUZOBAD-SFHVURJKSA-N 1 2 345.805 3.106 20 30 EGEDLO O=C(c1ccc(F)cc1)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000191917631 455530462 /nfs/dbraw/zinc/53/04/62/455530462.db2.gz DKWFQESFUDOLPA-UHFFFAOYSA-N 1 2 336.410 3.025 20 30 EGEDLO O=C(c1ccc(F)cc1)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000191917631 455530467 /nfs/dbraw/zinc/53/04/67/455530467.db2.gz DKWFQESFUDOLPA-UHFFFAOYSA-N 1 2 336.410 3.025 20 30 EGEDLO O=C(c1cccc(F)c1)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000191931970 455532365 /nfs/dbraw/zinc/53/23/65/455532365.db2.gz RSHWZNRUMOXYRT-UHFFFAOYSA-N 1 2 336.410 3.025 20 30 EGEDLO O=C(c1cccc(F)c1)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000191931970 455532367 /nfs/dbraw/zinc/53/23/67/455532367.db2.gz RSHWZNRUMOXYRT-UHFFFAOYSA-N 1 2 336.410 3.025 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000191957531 455534758 /nfs/dbraw/zinc/53/47/58/455534758.db2.gz DCEXEGIHGWKABC-OAHLLOKOSA-N 1 2 333.407 3.186 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000191957531 455534762 /nfs/dbraw/zinc/53/47/62/455534762.db2.gz DCEXEGIHGWKABC-OAHLLOKOSA-N 1 2 333.407 3.186 20 30 EGEDLO C#CC[N@@H+](CC)Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000267326808 455540007 /nfs/dbraw/zinc/54/00/07/455540007.db2.gz PXPRVPZWLKPLDD-UHFFFAOYSA-N 1 2 327.453 3.088 20 30 EGEDLO C#CC[N@H+](CC)Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000267326808 455540013 /nfs/dbraw/zinc/54/00/13/455540013.db2.gz PXPRVPZWLKPLDD-UHFFFAOYSA-N 1 2 327.453 3.088 20 30 EGEDLO CCCOc1ccc(/C=[NH+]/C2CCN(c3cccnn3)CC2)c(O)c1 ZINC000277556135 455596926 /nfs/dbraw/zinc/59/69/26/455596926.db2.gz WXHTXECCGGBKJV-XSFVSMFZSA-N 1 2 340.427 3.059 20 30 EGEDLO CC1(C)C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H](C(F)(F)F)O1 ZINC000292227662 455601547 /nfs/dbraw/zinc/60/15/47/455601547.db2.gz NIHINVNJACKFCW-CQSZACIVSA-N 1 2 328.334 3.131 20 30 EGEDLO CC1(C)C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H](C(F)(F)F)O1 ZINC000292227662 455601551 /nfs/dbraw/zinc/60/15/51/455601551.db2.gz NIHINVNJACKFCW-CQSZACIVSA-N 1 2 328.334 3.131 20 30 EGEDLO C=CC[N@H+](Cc1cccs1)Cc1nc2ccccc2c(=O)n1C ZINC000192550696 455640022 /nfs/dbraw/zinc/64/00/22/455640022.db2.gz LFEGFZXANDTTSO-UHFFFAOYSA-N 1 2 325.437 3.183 20 30 EGEDLO C=CC[N@@H+](Cc1cccs1)Cc1nc2ccccc2c(=O)n1C ZINC000192550696 455640028 /nfs/dbraw/zinc/64/00/28/455640028.db2.gz LFEGFZXANDTTSO-UHFFFAOYSA-N 1 2 325.437 3.183 20 30 EGEDLO CCN(CCC#N)C(=O)C[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000268334723 455654167 /nfs/dbraw/zinc/65/41/67/455654167.db2.gz OIPWLEKCGWNTMX-UHFFFAOYSA-N 1 2 329.419 3.067 20 30 EGEDLO C[C@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000248356517 455705745 /nfs/dbraw/zinc/70/57/45/455705745.db2.gz OKPYGSSXLCLZCE-HNAYVOBHSA-N 1 2 340.448 3.025 20 30 EGEDLO C[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000248356517 455705748 /nfs/dbraw/zinc/70/57/48/455705748.db2.gz OKPYGSSXLCLZCE-HNAYVOBHSA-N 1 2 340.448 3.025 20 30 EGEDLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000271694791 455724760 /nfs/dbraw/zinc/72/47/60/455724760.db2.gz SDPFBWWXVCYBEQ-HNNXBMFYSA-N 1 2 332.411 3.002 20 30 EGEDLO CC[N@H+](C[C@H](C)C#N)[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000248671379 455725935 /nfs/dbraw/zinc/72/59/35/455725935.db2.gz BIEVNACYDLKTFU-DOMZBBRYSA-N 1 2 339.361 3.292 20 30 EGEDLO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000248671379 455725942 /nfs/dbraw/zinc/72/59/42/455725942.db2.gz BIEVNACYDLKTFU-DOMZBBRYSA-N 1 2 339.361 3.292 20 30 EGEDLO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2c(F)cccc2F)c(C#N)c1C ZINC000271776466 455756394 /nfs/dbraw/zinc/75/63/94/455756394.db2.gz ONFPAJHUJIIXNM-JTQLQIEISA-N 1 2 333.338 3.336 20 30 EGEDLO N#Cc1ccccc1/C=C/c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000278196146 455784073 /nfs/dbraw/zinc/78/40/73/455784073.db2.gz WCVUANNKUNNCMH-PIIXRYACSA-N 1 2 336.395 3.037 20 30 EGEDLO N#Cc1ccccc1/C=C/c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000278196146 455784077 /nfs/dbraw/zinc/78/40/77/455784077.db2.gz WCVUANNKUNNCMH-PIIXRYACSA-N 1 2 336.395 3.037 20 30 EGEDLO N#C[C@]1(C(=O)NCc2[nH+]ccn2CCc2ccccc2)CC12CCCC2 ZINC000295135950 455839849 /nfs/dbraw/zinc/83/98/49/455839849.db2.gz NZSGSVZEIINCDC-NRFANRHFSA-N 1 2 348.450 3.216 20 30 EGEDLO C=CCOc1ccccc1-c1nc([C@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000285440693 455846091 /nfs/dbraw/zinc/84/60/91/455846091.db2.gz PMBOUDQGBLEFTN-MRXNPFEDSA-N 1 2 329.400 3.083 20 30 EGEDLO C=CCOc1ccccc1-c1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000285440693 455846094 /nfs/dbraw/zinc/84/60/94/455846094.db2.gz PMBOUDQGBLEFTN-MRXNPFEDSA-N 1 2 329.400 3.083 20 30 EGEDLO COCCc1ncc(CNc2[nH+]cccc2OCCCC#N)s1 ZINC000601066667 460696771 /nfs/dbraw/zinc/69/67/71/460696771.db2.gz NTAHFWWXHCNCFD-UHFFFAOYSA-N 1 2 332.429 3.022 20 30 EGEDLO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC(C)(C)O1 ZINC000194512241 455853229 /nfs/dbraw/zinc/85/32/29/455853229.db2.gz YUSVAJXIVYPXDJ-CQSZACIVSA-N 1 2 349.862 3.086 20 30 EGEDLO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC(C)(C)O1 ZINC000194512241 455853231 /nfs/dbraw/zinc/85/32/31/455853231.db2.gz YUSVAJXIVYPXDJ-CQSZACIVSA-N 1 2 349.862 3.086 20 30 EGEDLO C#CC[N@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000285479855 455854947 /nfs/dbraw/zinc/85/49/47/455854947.db2.gz BQWSKUZMOAABCD-UHFFFAOYSA-N 1 2 338.363 3.097 20 30 EGEDLO C#CC[N@@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000285479855 455854953 /nfs/dbraw/zinc/85/49/53/455854953.db2.gz BQWSKUZMOAABCD-UHFFFAOYSA-N 1 2 338.363 3.097 20 30 EGEDLO Cc1cccc(CCCNc2ncc(Br)cc2C#N)[nH+]1 ZINC000295707307 455857926 /nfs/dbraw/zinc/85/79/26/455857926.db2.gz RBUJKWLOLOENEW-UHFFFAOYSA-N 1 2 331.217 3.464 20 30 EGEDLO C=CCOc1ccc(CC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc1 ZINC000296024160 455866450 /nfs/dbraw/zinc/86/64/50/455866450.db2.gz XJLJVHQCFACVGE-SFHVURJKSA-N 1 2 339.439 3.137 20 30 EGEDLO N#CC1(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CCCCC1 ZINC000279583043 455868598 /nfs/dbraw/zinc/86/85/98/455868598.db2.gz SRQUJOUWCMZTPO-UHFFFAOYSA-N 1 2 340.471 3.399 20 30 EGEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000279755776 455872690 /nfs/dbraw/zinc/87/26/90/455872690.db2.gz DJRSJQRNMBLYER-UHFFFAOYSA-N 1 2 333.395 3.022 20 30 EGEDLO C=C(Cl)CNC(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270216741 455904949 /nfs/dbraw/zinc/90/49/49/455904949.db2.gz MCLMBOXKOGPZDD-AWEZNQCLSA-N 1 2 332.835 3.271 20 30 EGEDLO C=C(C)[C@@H](CC(=O)NCCNc1ccc2ccccc2[nH+]1)OCC ZINC000270247205 455911769 /nfs/dbraw/zinc/91/17/69/455911769.db2.gz XMFCJPKJLMIHCK-QGZVFWFLSA-N 1 2 327.428 3.134 20 30 EGEDLO C#CC[C@@H]([NH2+]Cc1csc(N(CC)C(C)=O)n1)c1ccccc1 ZINC000270267610 455916043 /nfs/dbraw/zinc/91/60/43/455916043.db2.gz XAVLEPSGHNENHE-QGZVFWFLSA-N 1 2 327.453 3.370 20 30 EGEDLO N#CCCCCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270349082 455934097 /nfs/dbraw/zinc/93/40/97/455934097.db2.gz PEYVSCIBXRQCIP-UHFFFAOYSA-N 1 2 335.411 3.417 20 30 EGEDLO COc1ccc([C@@H](NC(=O)C[NH+]2CCC(C)(C#N)CC2)C(C)C)cc1 ZINC000272629111 456018797 /nfs/dbraw/zinc/01/87/97/456018797.db2.gz VYLACXZGYJYBGK-IBGZPJMESA-N 1 2 343.471 3.134 20 30 EGEDLO Cc1ccccc1-n1cc(C[NH2+]C2(c3cccc(C#N)c3)CC2)nn1 ZINC000289706588 456138470 /nfs/dbraw/zinc/13/84/70/456138470.db2.gz KZQXDGIGJWIMBN-UHFFFAOYSA-N 1 2 329.407 3.226 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)Cc1c(C)nn(CCC(=O)OC)c1C ZINC000271164014 456149900 /nfs/dbraw/zinc/14/99/00/456149900.db2.gz MCGISGKSABJNPV-UHFFFAOYSA-N 1 2 348.491 3.215 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1c(C)nn(CCC(=O)OC)c1C ZINC000271164014 456149904 /nfs/dbraw/zinc/14/99/04/456149904.db2.gz MCGISGKSABJNPV-UHFFFAOYSA-N 1 2 348.491 3.215 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000281202041 456163552 /nfs/dbraw/zinc/16/35/52/456163552.db2.gz YFNQKMLWOYHIKK-WBVHZDCISA-N 1 2 340.427 3.190 20 30 EGEDLO CCc1nnc(NCCc2[nH]c3ccc(F)cc3[nH+]2)c(C#N)c1CC ZINC000301622735 456166330 /nfs/dbraw/zinc/16/63/30/456166330.db2.gz FAXAADLDSKKLBD-UHFFFAOYSA-N 1 2 338.390 3.143 20 30 EGEDLO C=CCc1cc(C[N@@H+]2CCC[C@@H]2c2nc(C)no2)cc(OC)c1O ZINC000289905197 456176913 /nfs/dbraw/zinc/17/69/13/456176913.db2.gz USGFFAWJXRWAMP-OAHLLOKOSA-N 1 2 329.400 3.158 20 30 EGEDLO C=CCc1cc(C[N@H+]2CCC[C@@H]2c2nc(C)no2)cc(OC)c1O ZINC000289905197 456176918 /nfs/dbraw/zinc/17/69/18/456176918.db2.gz USGFFAWJXRWAMP-OAHLLOKOSA-N 1 2 329.400 3.158 20 30 EGEDLO N#Cc1c(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)cn2ccccc12 ZINC000289910516 456178192 /nfs/dbraw/zinc/17/81/92/456178192.db2.gz NXXKLYPMJKEIBW-HNNXBMFYSA-N 1 2 325.803 3.108 20 30 EGEDLO N#Cc1c(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cn2ccccc12 ZINC000289910516 456178195 /nfs/dbraw/zinc/17/81/95/456178195.db2.gz NXXKLYPMJKEIBW-HNNXBMFYSA-N 1 2 325.803 3.108 20 30 EGEDLO CN(CCC[N@H+](CCC#N)Cc1ccccn1)C(=O)OC(C)(C)C ZINC000281349414 456209772 /nfs/dbraw/zinc/20/97/72/456209772.db2.gz RNMODXLJPGRROQ-UHFFFAOYSA-N 1 2 332.448 3.054 20 30 EGEDLO CN(CCC[N@@H+](CCC#N)Cc1ccccn1)C(=O)OC(C)(C)C ZINC000281349414 456209777 /nfs/dbraw/zinc/20/97/77/456209777.db2.gz RNMODXLJPGRROQ-UHFFFAOYSA-N 1 2 332.448 3.054 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)c1nnnn1-c1ccccc1 ZINC000297713224 456278334 /nfs/dbraw/zinc/27/83/34/456278334.db2.gz BAVPEVRXHNDMTM-INIZCTEOSA-N 1 2 349.438 3.420 20 30 EGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)c1nnnn1-c1ccccc1 ZINC000297713224 456278337 /nfs/dbraw/zinc/27/83/37/456278337.db2.gz BAVPEVRXHNDMTM-INIZCTEOSA-N 1 2 349.438 3.420 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352777055 456297027 /nfs/dbraw/zinc/29/70/27/456297027.db2.gz FYTSUIUUCJDBBI-SFHVURJKSA-N 1 2 330.391 3.451 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)N(C)C1CCC(C)CC1)Cc1ccc(CO)o1 ZINC000352798275 456318108 /nfs/dbraw/zinc/31/81/08/456318108.db2.gz CXXPNCSVHWSUSE-UHFFFAOYSA-N 1 2 348.487 3.187 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)N(C)C1CCC(C)CC1)Cc1ccc(CO)o1 ZINC000352798275 456318117 /nfs/dbraw/zinc/31/81/17/456318117.db2.gz CXXPNCSVHWSUSE-UHFFFAOYSA-N 1 2 348.487 3.187 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](CC)Cc2ccccc2Br)C1=O ZINC000337142797 456330852 /nfs/dbraw/zinc/33/08/52/456330852.db2.gz UMTPJVVJSRQJFG-OAHLLOKOSA-N 1 2 337.261 3.058 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](CC)Cc2ccccc2Br)C1=O ZINC000337142797 456330861 /nfs/dbraw/zinc/33/08/61/456330861.db2.gz UMTPJVVJSRQJFG-OAHLLOKOSA-N 1 2 337.261 3.058 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2c(Cl)ccc3cccnc32)C1=O ZINC000337229962 456339645 /nfs/dbraw/zinc/33/96/45/456339645.db2.gz SKHFWGUTZISDLX-INIZCTEOSA-N 1 2 329.831 3.107 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2c(Cl)ccc3cccnc32)C1=O ZINC000337229962 456339652 /nfs/dbraw/zinc/33/96/52/456339652.db2.gz SKHFWGUTZISDLX-INIZCTEOSA-N 1 2 329.831 3.107 20 30 EGEDLO C=CC[C@@H](CC)NC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000281995951 456384740 /nfs/dbraw/zinc/38/47/40/456384740.db2.gz UZIIIGDZEYWGTQ-QGZVFWFLSA-N 1 2 326.444 3.280 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC000282013252 456390174 /nfs/dbraw/zinc/39/01/74/456390174.db2.gz WVVQUGCFILRYMT-INIZCTEOSA-N 1 2 346.381 3.164 20 30 EGEDLO Cc1cc(C(F)(F)F)c(C#N)c(SCC[N@@H+]2CCO[C@H](C)C2)n1 ZINC000298258329 456406555 /nfs/dbraw/zinc/40/65/55/456406555.db2.gz KOIUZAGAOCZIIT-LLVKDONJSA-N 1 2 345.390 3.093 20 30 EGEDLO C=CC1CC[NH+](Cc2[nH]c(C(=O)OCC)c(C)c2C(=O)OCC)CC1 ZINC000348184736 456522864 /nfs/dbraw/zinc/52/28/64/456522864.db2.gz MTPQCSVFZMWSSF-UHFFFAOYSA-N 1 2 348.443 3.075 20 30 EGEDLO Cc1ccncc1C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348306417 456610363 /nfs/dbraw/zinc/61/03/63/456610363.db2.gz LRBYUTZLZMZDDF-IBGZPJMESA-N 1 2 340.858 3.426 20 30 EGEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)CNc2ccc(C#N)cc2)c1 ZINC000340717234 456645611 /nfs/dbraw/zinc/64/56/11/456645611.db2.gz UCPQTDATZXUSOM-UHFFFAOYSA-N 1 2 331.379 3.009 20 30 EGEDLO Cc1c(Cl)cnc(NCCc2[nH+]c3ccc(F)cc3n2C)c1C#N ZINC000343501225 456663459 /nfs/dbraw/zinc/66/34/59/456663459.db2.gz CATBNUJYVZNYOP-UHFFFAOYSA-N 1 2 343.793 3.017 20 30 EGEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2nccc(C)c2C#N)cc1 ZINC000343503150 456665073 /nfs/dbraw/zinc/66/50/73/456665073.db2.gz ALTRVUPAMAAGHF-IBGZPJMESA-N 1 2 336.439 3.056 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1cccc(C#N)c1C ZINC000338158538 456671960 /nfs/dbraw/zinc/67/19/60/456671960.db2.gz WKFOQQHTHGKEAK-UHFFFAOYSA-N 1 2 332.407 3.345 20 30 EGEDLO N#Cc1ccccc1CSCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000343526620 456683513 /nfs/dbraw/zinc/68/35/13/456683513.db2.gz KNNDRSNQXXMGJE-SFHVURJKSA-N 1 2 349.463 3.289 20 30 EGEDLO N#Cc1ccc(Cl)c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000348442691 456690050 /nfs/dbraw/zinc/69/00/50/456690050.db2.gz NWQWZXQGLVXNMJ-UHFFFAOYSA-N 1 2 339.826 3.170 20 30 EGEDLO CCCc1ncc(C(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)s1 ZINC000328617396 456720018 /nfs/dbraw/zinc/72/00/18/456720018.db2.gz CRGWAMGCVVPKPA-YPMHNXCESA-N 1 2 334.445 3.054 20 30 EGEDLO Cc1cn2c([nH+]1)[C@@H](C[NH+]=C([O-])N1CCCc3ccccc3C1)CCC2 ZINC000328640668 456725936 /nfs/dbraw/zinc/72/59/36/456725936.db2.gz CUJMKGXZIMIORJ-QGZVFWFLSA-N 1 2 338.455 3.431 20 30 EGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCCc3ccccc3C1)CCC2 ZINC000328640668 456725939 /nfs/dbraw/zinc/72/59/39/456725939.db2.gz CUJMKGXZIMIORJ-QGZVFWFLSA-N 1 2 338.455 3.431 20 30 EGEDLO C=CC[N@H+](Cc1nc(C)cs1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000353512528 456726169 /nfs/dbraw/zinc/72/61/69/456726169.db2.gz DLOYBOXAXSCLHC-CQSZACIVSA-N 1 2 340.456 3.176 20 30 EGEDLO C=CC[N@@H+](Cc1nc(C)cs1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000353512528 456726174 /nfs/dbraw/zinc/72/61/74/456726174.db2.gz DLOYBOXAXSCLHC-CQSZACIVSA-N 1 2 340.456 3.176 20 30 EGEDLO Cc1csc([C@H]2CN(C(=O)Nc3ccc(C)[nH+]c3C)CCO2)n1 ZINC000328733714 456748356 /nfs/dbraw/zinc/74/83/56/456748356.db2.gz HZIJAUYDBVLWGP-CQSZACIVSA-N 1 2 332.429 3.082 20 30 EGEDLO N#Cc1cccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)c1F ZINC000340912586 456758109 /nfs/dbraw/zinc/75/81/09/456758109.db2.gz SCAQABJFNMYOFE-UHFFFAOYSA-N 1 2 327.378 3.154 20 30 EGEDLO CC1(C)CCCN1C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000328788102 456760919 /nfs/dbraw/zinc/76/09/19/456760919.db2.gz PDZILIZTYCVYRO-MRXNPFEDSA-N 1 2 346.475 3.259 20 30 EGEDLO CC1(C)CCCN1C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000328788102 456760925 /nfs/dbraw/zinc/76/09/25/456760925.db2.gz PDZILIZTYCVYRO-MRXNPFEDSA-N 1 2 346.475 3.259 20 30 EGEDLO C=C(C)CN(Cc1ccc(CO)o1)c1nc(C)[nH+]c2c1CCCC2 ZINC000343635872 456761061 /nfs/dbraw/zinc/76/10/61/456761061.db2.gz WGVVDIQOUCXKJS-UHFFFAOYSA-N 1 2 327.428 3.332 20 30 EGEDLO C[C@H]([C@H](C)NC(=O)Nc1cccc2ccsc21)[NH+]1CCOCC1 ZINC000328837270 456772399 /nfs/dbraw/zinc/77/23/99/456772399.db2.gz SXFXRNFQTBVSAQ-QWHCGFSZSA-N 1 2 333.457 3.336 20 30 EGEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)Nc1nc(C2CC2)cs1 ZINC000328840243 456774206 /nfs/dbraw/zinc/77/42/06/456774206.db2.gz OCOGXVWHCLGDDT-UHFFFAOYSA-N 1 2 331.445 3.122 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1OCCc2sccc21 ZINC000328908934 456790063 /nfs/dbraw/zinc/79/00/63/456790063.db2.gz DIFDQMLTAGWYQY-USBNGQNGSA-N 1 2 331.441 3.235 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1OCCc2sccc21 ZINC000328908934 456790071 /nfs/dbraw/zinc/79/00/71/456790071.db2.gz DIFDQMLTAGWYQY-USBNGQNGSA-N 1 2 331.441 3.235 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc([S@@](C)=O)cc1 ZINC000348647414 456799637 /nfs/dbraw/zinc/79/96/37/456799637.db2.gz QOOKIMFFSPDLDC-HSZRJFAPSA-N 1 2 333.453 3.088 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc([S@@](C)=O)cc1 ZINC000348647414 456799645 /nfs/dbraw/zinc/79/96/45/456799645.db2.gz QOOKIMFFSPDLDC-HSZRJFAPSA-N 1 2 333.453 3.088 20 30 EGEDLO COc1cc(C[N@H+](C)Cc2nc(-c3cccs3)no2)ccc1C#N ZINC000348677852 456812036 /nfs/dbraw/zinc/81/20/36/456812036.db2.gz WDZVHMXJOGZOSM-UHFFFAOYSA-N 1 2 340.408 3.310 20 30 EGEDLO COc1cc(C[N@@H+](C)Cc2nc(-c3cccs3)no2)ccc1C#N ZINC000348677852 456812041 /nfs/dbraw/zinc/81/20/41/456812041.db2.gz WDZVHMXJOGZOSM-UHFFFAOYSA-N 1 2 340.408 3.310 20 30 EGEDLO O=C(NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329008030 456812922 /nfs/dbraw/zinc/81/29/22/456812922.db2.gz YPJMTABNNXNSEV-VKJFTORMSA-N 1 2 343.402 3.319 20 30 EGEDLO Cc1noc([C@H]2CC[N@H+](CC(=O)Nc3cccc(Cl)c3C)C2)n1 ZINC000329029132 456816970 /nfs/dbraw/zinc/81/69/70/456816970.db2.gz KSRAAZYIGDVWKU-LBPRGKRZSA-N 1 2 334.807 3.417 20 30 EGEDLO Cc1noc([C@H]2CC[N@@H+](CC(=O)Nc3cccc(Cl)c3C)C2)n1 ZINC000329029132 456816975 /nfs/dbraw/zinc/81/69/75/456816975.db2.gz KSRAAZYIGDVWKU-LBPRGKRZSA-N 1 2 334.807 3.417 20 30 EGEDLO Cc1nc2ccc(NC(=O)[C@@H](C)[N@@H+]3CCc4ccccc4C3)cn2n1 ZINC000329126935 456839548 /nfs/dbraw/zinc/83/95/48/456839548.db2.gz YUKNVUYOHSZTTF-CYBMUJFWSA-N 1 2 335.411 3.073 20 30 EGEDLO Cc1nc2ccc(NC(=O)[C@@H](C)[N@H+]3CCc4ccccc4C3)cn2n1 ZINC000329126935 456839552 /nfs/dbraw/zinc/83/95/52/456839552.db2.gz YUKNVUYOHSZTTF-CYBMUJFWSA-N 1 2 335.411 3.073 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCC(C)(C)CC1)C1CCOCC1 ZINC000329250524 456861303 /nfs/dbraw/zinc/86/13/03/456861303.db2.gz BAXXZXSTMWNJHM-MRXNPFEDSA-N 1 2 348.491 3.407 20 30 EGEDLO Cc1cc(Nc2ccc3c(c2)CCC(=O)N3CCCC#N)nc(C)[nH+]1 ZINC000344862907 456868916 /nfs/dbraw/zinc/86/89/16/456868916.db2.gz KXQHBFFOAGALPG-UHFFFAOYSA-N 1 2 335.411 3.420 20 30 EGEDLO O=C(NCCc1ncc[nH]1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329361032 456878339 /nfs/dbraw/zinc/87/83/39/456878339.db2.gz IIEHAEPADFQUHB-HNNXBMFYSA-N 1 2 341.459 3.416 20 30 EGEDLO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCn2cc[nH+]c2C1 ZINC000329363629 456879604 /nfs/dbraw/zinc/87/96/04/456879604.db2.gz ZOIVUULIKPUPMQ-IWUURBKTSA-N 1 2 328.460 3.013 20 30 EGEDLO C[C@H]1CCN(C([O-])=[NH+]c2cnc3c(c2)CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000329422828 456887173 /nfs/dbraw/zinc/88/71/73/456887173.db2.gz FEWVIILOGUUCFP-KBXCAEBGSA-N 1 2 339.443 3.286 20 30 EGEDLO C[C@H]1CCN(C(=O)Nc2cnc3c(c2)CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000329422828 456887178 /nfs/dbraw/zinc/88/71/78/456887178.db2.gz FEWVIILOGUUCFP-KBXCAEBGSA-N 1 2 339.443 3.286 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)N[C@@H](C)c3ccc(F)cc3)C2)[nH]1 ZINC000329426571 456888232 /nfs/dbraw/zinc/88/82/32/456888232.db2.gz HBHUMPYBBRZQFO-SWLSCSKDSA-N 1 2 345.422 3.149 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)N[C@@H](C)c3ccc(F)cc3)C2)[nH]1 ZINC000329426571 456888235 /nfs/dbraw/zinc/88/82/35/456888235.db2.gz HBHUMPYBBRZQFO-SWLSCSKDSA-N 1 2 345.422 3.149 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)N[C@@H](C)c3ccc(F)cc3)C2)n1 ZINC000329426571 456888238 /nfs/dbraw/zinc/88/82/38/456888238.db2.gz HBHUMPYBBRZQFO-SWLSCSKDSA-N 1 2 345.422 3.149 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)N[C@@H](C)c3ccc(F)cc3)C2)n1 ZINC000329426571 456888241 /nfs/dbraw/zinc/88/82/41/456888241.db2.gz HBHUMPYBBRZQFO-SWLSCSKDSA-N 1 2 345.422 3.149 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)N[C@@H](C)c3ccc(F)cc3)C2)n[nH]1 ZINC000329426571 456888245 /nfs/dbraw/zinc/88/82/45/456888245.db2.gz HBHUMPYBBRZQFO-SWLSCSKDSA-N 1 2 345.422 3.149 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)N[C@@H](C)c3ccc(F)cc3)C2)n[nH]1 ZINC000329426571 456888247 /nfs/dbraw/zinc/88/82/47/456888247.db2.gz HBHUMPYBBRZQFO-SWLSCSKDSA-N 1 2 345.422 3.149 20 30 EGEDLO O=C(NCC1(c2ccncc2)CCCC1)C1([NH+]2CCOCC2)CCC1 ZINC000329466174 456895268 /nfs/dbraw/zinc/89/52/68/456895268.db2.gz RTSVTCGQBMZSHP-UHFFFAOYSA-N 1 2 343.471 3.105 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000329496041 456900511 /nfs/dbraw/zinc/90/05/11/456900511.db2.gz IYDHJRHKLVSCLQ-BEFAXECRSA-N 1 2 343.427 3.029 20 30 EGEDLO Cc1cc(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)cc2n[nH]cc21 ZINC000329527031 456904786 /nfs/dbraw/zinc/90/47/86/456904786.db2.gz HRIMVUWHWFCITL-KRWDZBQOSA-N 1 2 328.416 3.103 20 30 EGEDLO Cc1cc(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)cc2n[nH]cc21 ZINC000329527031 456904790 /nfs/dbraw/zinc/90/47/90/456904790.db2.gz HRIMVUWHWFCITL-KRWDZBQOSA-N 1 2 328.416 3.103 20 30 EGEDLO C=CCOc1cccc(NC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000349180281 456904906 /nfs/dbraw/zinc/90/49/06/456904906.db2.gz XASSOQASLXVGRQ-INIZCTEOSA-N 1 2 326.400 3.258 20 30 EGEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000329615565 456916812 /nfs/dbraw/zinc/91/68/12/456916812.db2.gz PPBCZQYBMFYUGG-ZYHUDNBSSA-N 1 2 328.347 3.138 20 30 EGEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000329615565 456916815 /nfs/dbraw/zinc/91/68/15/456916815.db2.gz PPBCZQYBMFYUGG-ZYHUDNBSSA-N 1 2 328.347 3.138 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1C[C@]12CCOC2)c1ccc(F)cc1 ZINC000329652233 456922391 /nfs/dbraw/zinc/92/23/91/456922391.db2.gz KUWBLLYAXFUSGY-DAYGRLMNSA-N 1 2 329.375 3.032 20 30 EGEDLO C[C@@H]1OCC[C@@]1(C)NC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000329758555 456936571 /nfs/dbraw/zinc/93/65/71/456936571.db2.gz NSDUBENOHSMXRX-HNAYVOBHSA-N 1 2 346.475 3.033 20 30 EGEDLO C=CCCC1(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CC1 ZINC000353855105 456937466 /nfs/dbraw/zinc/93/74/66/456937466.db2.gz AORDDOTXWPTYPO-UHFFFAOYSA-N 1 2 342.487 3.303 20 30 EGEDLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)sc1C ZINC000329942354 456964721 /nfs/dbraw/zinc/96/47/21/456964721.db2.gz HEWRNTWJEBJHTD-SYEHKZFSSA-N 1 2 336.461 3.372 20 30 EGEDLO Cc1nc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)sc1C ZINC000329942354 456964726 /nfs/dbraw/zinc/96/47/26/456964726.db2.gz HEWRNTWJEBJHTD-SYEHKZFSSA-N 1 2 336.461 3.372 20 30 EGEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000330094850 456983481 /nfs/dbraw/zinc/98/34/81/456983481.db2.gz UJGWUQVDEWYLRA-NXHRZFHOSA-N 1 2 338.492 3.182 20 30 EGEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000330094850 456983484 /nfs/dbraw/zinc/98/34/84/456983484.db2.gz UJGWUQVDEWYLRA-NXHRZFHOSA-N 1 2 338.492 3.182 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330097491 456984711 /nfs/dbraw/zinc/98/47/11/456984711.db2.gz AUDDCFIWUXVTSP-LBTNJELSSA-N 1 2 336.407 3.072 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330097491 456984714 /nfs/dbraw/zinc/98/47/14/456984714.db2.gz AUDDCFIWUXVTSP-LBTNJELSSA-N 1 2 336.407 3.072 20 30 EGEDLO O=C(NC[C@@H]1CCC2(CCCCC2)O1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000330108458 456985827 /nfs/dbraw/zinc/98/58/27/456985827.db2.gz NRTKBSBZKAEWAS-INIZCTEOSA-N 1 2 346.475 3.385 20 30 EGEDLO O=C(NC[C@@H]1CCC2(CCCCC2)O1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000330108458 456985829 /nfs/dbraw/zinc/98/58/29/456985829.db2.gz NRTKBSBZKAEWAS-INIZCTEOSA-N 1 2 346.475 3.385 20 30 EGEDLO CNC(=O)C[N@H+](CCC(C)(C)C#N)Cc1cccc(C(F)(F)F)c1 ZINC000345725508 456990212 /nfs/dbraw/zinc/99/02/12/456990212.db2.gz ISDYZBAWBQLIKT-UHFFFAOYSA-N 1 2 341.377 3.193 20 30 EGEDLO CNC(=O)C[N@@H+](CCC(C)(C)C#N)Cc1cccc(C(F)(F)F)c1 ZINC000345725508 456990218 /nfs/dbraw/zinc/99/02/18/456990218.db2.gz ISDYZBAWBQLIKT-UHFFFAOYSA-N 1 2 341.377 3.193 20 30 EGEDLO [O-]C(N[C@@H]1CCc2c1cccc2Cl)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330176750 456996352 /nfs/dbraw/zinc/99/63/52/456996352.db2.gz KEMAUWDHSGDJKV-IAQYHMDHSA-N 1 2 330.819 3.042 20 30 EGEDLO Cc1cccc(C2=CCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)CC2)c1 ZINC000330193261 456999222 /nfs/dbraw/zinc/99/92/22/456999222.db2.gz OEPGNPUABDXKFM-GOSISDBHSA-N 1 2 336.439 3.210 20 30 EGEDLO Cc1cccc(C2=CCN(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)CC2)c1 ZINC000330193261 456999227 /nfs/dbraw/zinc/99/92/27/456999227.db2.gz OEPGNPUABDXKFM-GOSISDBHSA-N 1 2 336.439 3.210 20 30 EGEDLO C[N@H+](Cc1cc2c(c(Br)c1)OCO2)CC(C)(C)C#N ZINC000354019283 457014457 /nfs/dbraw/zinc/01/44/57/457014457.db2.gz WQSFSGJLPVFACA-UHFFFAOYSA-N 1 2 325.206 3.159 20 30 EGEDLO C[N@@H+](Cc1cc2c(c(Br)c1)OCO2)CC(C)(C)C#N ZINC000354019283 457014460 /nfs/dbraw/zinc/01/44/60/457014460.db2.gz WQSFSGJLPVFACA-UHFFFAOYSA-N 1 2 325.206 3.159 20 30 EGEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000330302487 457024479 /nfs/dbraw/zinc/02/44/79/457024479.db2.gz JMOHKPRVZNRCKJ-WCQYABFASA-N 1 2 328.347 3.069 20 30 EGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCCOC1CCCC1 ZINC000330313655 457025053 /nfs/dbraw/zinc/02/50/53/457025053.db2.gz XKWPUYZDYOGAID-MRXNPFEDSA-N 1 2 334.464 3.303 20 30 EGEDLO COC1CC[NH+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000341991094 457046237 /nfs/dbraw/zinc/04/62/37/457046237.db2.gz ZPNCNLLQWCQRPV-AWEZNQCLSA-N 1 2 347.484 3.130 20 30 EGEDLO COCC1(C#N)CC[NH+]([C@@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000341996051 457049857 /nfs/dbraw/zinc/04/98/57/457049857.db2.gz RTBLSLYWJMNFRV-AWEZNQCLSA-N 1 2 326.400 3.050 20 30 EGEDLO COc1ccc(OCC[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000362711750 457055663 /nfs/dbraw/zinc/05/56/63/457055663.db2.gz RNIMXLNBXHKAOT-FQEVSTJZSA-N 1 2 338.407 3.019 20 30 EGEDLO COc1ccc(OCC[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000362711750 457055666 /nfs/dbraw/zinc/05/56/66/457055666.db2.gz RNIMXLNBXHKAOT-FQEVSTJZSA-N 1 2 338.407 3.019 20 30 EGEDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000330578515 457058740 /nfs/dbraw/zinc/05/87/40/457058740.db2.gz HSOMHAYJMFVFIH-ROUUACIJSA-N 1 2 343.471 3.049 20 30 EGEDLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000330578515 457058744 /nfs/dbraw/zinc/05/87/44/457058744.db2.gz HSOMHAYJMFVFIH-ROUUACIJSA-N 1 2 343.471 3.049 20 30 EGEDLO Cc1cc(NC(=O)NC(C)(C)C(C)(C)O)c[nH+]c1N1CCCC[C@H]1C ZINC000330905787 457103134 /nfs/dbraw/zinc/10/31/34/457103134.db2.gz ZPTUOMSPKSSKBF-CQSZACIVSA-N 1 2 348.491 3.453 20 30 EGEDLO C=CCCOCCNC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000356686891 457119656 /nfs/dbraw/zinc/11/96/56/457119656.db2.gz QNLHEWOIYJQKPN-MRXNPFEDSA-N 1 2 346.475 3.483 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCC(C)(C)C[C@@H](C)O ZINC000331191741 457144968 /nfs/dbraw/zinc/14/49/68/457144968.db2.gz RFSWRHGJQUXZJC-CABCVRRESA-N 1 2 336.480 3.141 20 30 EGEDLO Cc1[nH+]c(-c2ccncc2)nc(NCCc2cccc(C#N)c2)c1C ZINC000359944634 457162997 /nfs/dbraw/zinc/16/29/97/457162997.db2.gz ACEAJXKLALPQHD-UHFFFAOYSA-N 1 2 329.407 3.104 20 30 EGEDLO CCc1ccc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000356797281 457171145 /nfs/dbraw/zinc/17/11/45/457171145.db2.gz YROVCQXKIHCNIT-UHFFFAOYSA-N 1 2 347.462 3.008 20 30 EGEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)Nc1ccccc1Br ZINC000331356466 457172135 /nfs/dbraw/zinc/17/21/35/457172135.db2.gz RYSVHOHPEJOLAN-GMXVVIOVSA-N 1 2 336.233 3.058 20 30 EGEDLO Cn1c[nH+]cc1CNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000356803759 457174165 /nfs/dbraw/zinc/17/41/65/457174165.db2.gz VEWDQNPLUSRTEK-UHFFFAOYSA-N 1 2 332.363 3.014 20 30 EGEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000331506691 457196753 /nfs/dbraw/zinc/19/67/53/457196753.db2.gz QOTHIRCCDBQWFL-NHCYSSNCSA-N 1 2 332.404 3.044 20 30 EGEDLO Cc1ccc(C(=O)[C@H](C#N)c2ccncn2)cc1Oc1cc[nH+]cc1 ZINC000354463919 457239604 /nfs/dbraw/zinc/23/96/04/457239604.db2.gz JHFVOSADAGDCTB-MRXNPFEDSA-N 1 2 330.347 3.462 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCO[C@H](C(C)C)C1 ZINC000351205073 457240555 /nfs/dbraw/zinc/24/05/55/457240555.db2.gz QXDZAIARLVDJPT-WBVHZDCISA-N 1 2 336.501 3.008 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000351205073 457240558 /nfs/dbraw/zinc/24/05/58/457240558.db2.gz QXDZAIARLVDJPT-WBVHZDCISA-N 1 2 336.501 3.008 20 30 EGEDLO N#Cc1cc(Oc2ccc(NC(=O)CCc3[nH]cc[nH+]3)cc2)ccn1 ZINC000356997811 457266774 /nfs/dbraw/zinc/26/67/74/457266774.db2.gz WZSOVXINIZRMPP-UHFFFAOYSA-N 1 2 333.351 3.040 20 30 EGEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000363347097 457300178 /nfs/dbraw/zinc/30/01/78/457300178.db2.gz CQAWITGCRADHTB-GOSISDBHSA-N 1 2 339.826 3.275 20 30 EGEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000363347097 457300184 /nfs/dbraw/zinc/30/01/84/457300184.db2.gz CQAWITGCRADHTB-GOSISDBHSA-N 1 2 339.826 3.275 20 30 EGEDLO Cc1noc(C)c1CC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000332094618 457302094 /nfs/dbraw/zinc/30/20/94/457302094.db2.gz BJHHIMGGIFBZJE-UHFFFAOYSA-N 1 2 344.846 3.181 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN([C@@H](C)c2ccsc2)CC1 ZINC000360614963 457321021 /nfs/dbraw/zinc/32/10/21/457321021.db2.gz ZNJYMQNLXYPDAD-IRXDYDNUSA-N 1 2 349.544 3.240 20 30 EGEDLO C[C@@H](C#N)CN(C(=O)CCn1c2ccccc2[nH+]c1C1CC1)C1CC1 ZINC000354899190 457328362 /nfs/dbraw/zinc/32/83/62/457328362.db2.gz SSQDEEIMQNEJDX-AWEZNQCLSA-N 1 2 336.439 3.454 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(F)(C#N)CC1 ZINC000352449975 457378193 /nfs/dbraw/zinc/37/81/93/457378193.db2.gz POKSBRMLAVVGLS-NSHDSACASA-N 1 2 343.324 3.360 20 30 EGEDLO N#CC1(CN(CCn2cc[nH+]c2)Cc2ccc(Br)o2)CC1 ZINC000352489496 457409772 /nfs/dbraw/zinc/40/97/72/457409772.db2.gz AOVZGQDJZPVANR-UHFFFAOYSA-N 1 2 349.232 3.045 20 30 EGEDLO C[C@H]1C[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@@H](C)C1 ZINC000356197407 457523974 /nfs/dbraw/zinc/52/39/74/457523974.db2.gz JBLGJEQHPDWWAV-YRWFTTLQSA-N 1 2 339.483 3.275 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CC[C@H](C)C[C@H]2C(=O)OC)cc1OC ZINC000361151488 457615938 /nfs/dbraw/zinc/61/59/38/457615938.db2.gz FREQDALCLIYBSO-HOCLYGCPSA-N 1 2 333.428 3.034 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2C(=O)OC)cc1OC ZINC000361151488 457615942 /nfs/dbraw/zinc/61/59/42/457615942.db2.gz FREQDALCLIYBSO-HOCLYGCPSA-N 1 2 333.428 3.034 20 30 EGEDLO COc1ccc(F)cc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000361177103 457630403 /nfs/dbraw/zinc/63/04/03/457630403.db2.gz GNSQWVHJFYURFW-LJQANCHMSA-N 1 2 339.414 3.217 20 30 EGEDLO N#CCCCOc1cccc(CNc2ccc(-c3cncnc3)c[nH+]2)c1 ZINC000366864436 457904952 /nfs/dbraw/zinc/90/49/52/457904952.db2.gz INLFGRRXWZRVGZ-UHFFFAOYSA-N 1 2 345.406 3.255 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2cc(Br)ccc2C1 ZINC000361852488 457908415 /nfs/dbraw/zinc/90/84/15/457908415.db2.gz UCGMKQBXZNHEFA-UHFFFAOYSA-N 1 2 349.272 3.008 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCc2cc(Br)ccc2C1 ZINC000361852488 457908418 /nfs/dbraw/zinc/90/84/18/457908418.db2.gz UCGMKQBXZNHEFA-UHFFFAOYSA-N 1 2 349.272 3.008 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(CC#N)cc1)c1cccc(F)c1 ZINC000366919653 457909429 /nfs/dbraw/zinc/90/94/29/457909429.db2.gz QEGYKZOCHAEOIC-SFHVURJKSA-N 1 2 348.381 3.145 20 30 EGEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000371463104 457944393 /nfs/dbraw/zinc/94/43/93/457944393.db2.gz HEKZZDWXROSQCI-KKSFZXQISA-N 1 2 347.418 3.423 20 30 EGEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000371463104 457944397 /nfs/dbraw/zinc/94/43/97/457944397.db2.gz HEKZZDWXROSQCI-KKSFZXQISA-N 1 2 347.418 3.423 20 30 EGEDLO N#CCCCC[NH+]1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000434795371 458053163 /nfs/dbraw/zinc/05/31/63/458053163.db2.gz MWPWNDIDCCYCJZ-UHFFFAOYSA-N 1 2 327.453 3.353 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1csnn1 ZINC000412045819 458063981 /nfs/dbraw/zinc/06/39/81/458063981.db2.gz SLKCQPLXGOZENA-NSHDSACASA-N 1 2 334.470 3.106 20 30 EGEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2sccc2C#N)cc1Cl ZINC000412048260 458067562 /nfs/dbraw/zinc/06/75/62/458067562.db2.gz WGNKJUGBGDKPPN-UHFFFAOYSA-N 1 2 349.843 3.352 20 30 EGEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2sccc2C#N)cc1Cl ZINC000412048260 458067566 /nfs/dbraw/zinc/06/75/66/458067566.db2.gz WGNKJUGBGDKPPN-UHFFFAOYSA-N 1 2 349.843 3.352 20 30 EGEDLO N#Cc1cc(F)ccc1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000435162843 458098744 /nfs/dbraw/zinc/09/87/44/458098744.db2.gz QCJBNOTVSZDFLG-UHFFFAOYSA-N 1 2 335.342 3.205 20 30 EGEDLO Cc1cc(C)cc(NC(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000369206040 458123489 /nfs/dbraw/zinc/12/34/89/458123489.db2.gz LSGHPDGOCBLMIA-UHFFFAOYSA-N 1 2 348.450 3.194 20 30 EGEDLO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1 ZINC000428393496 458134097 /nfs/dbraw/zinc/13/40/97/458134097.db2.gz YFCMWFUQMWJEKO-FZKQIMNGSA-N 1 2 326.371 3.337 20 30 EGEDLO CCc1nc([C@@H]2CCCC[N@@H+]2CCOc2cccc(C#N)c2)no1 ZINC000369271329 458151491 /nfs/dbraw/zinc/15/14/91/458151491.db2.gz QFEDULOEPDIQRQ-INIZCTEOSA-N 1 2 326.400 3.110 20 30 EGEDLO CCc1nc([C@@H]2CCCC[N@H+]2CCOc2cccc(C#N)c2)no1 ZINC000369271329 458151498 /nfs/dbraw/zinc/15/14/98/458151498.db2.gz QFEDULOEPDIQRQ-INIZCTEOSA-N 1 2 326.400 3.110 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)Cc2ccccc2O1 ZINC000429112936 458271943 /nfs/dbraw/zinc/27/19/43/458271943.db2.gz CMUBZHPBVRSASX-CQSZACIVSA-N 1 2 346.390 3.391 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)Cc2ccccc2O1 ZINC000429112936 458271944 /nfs/dbraw/zinc/27/19/44/458271944.db2.gz CMUBZHPBVRSASX-CQSZACIVSA-N 1 2 346.390 3.391 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429130965 458277875 /nfs/dbraw/zinc/27/78/75/458277875.db2.gz WDSTZWVQCONCEK-HUUCEWRRSA-N 1 2 335.407 3.168 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429130965 458277879 /nfs/dbraw/zinc/27/78/79/458277879.db2.gz WDSTZWVQCONCEK-HUUCEWRRSA-N 1 2 335.407 3.168 20 30 EGEDLO C[C@H]1CN(c2cccc3cnccc32)CC[N@@H+]1C[C@@H](C#N)CCC#N ZINC000447395076 458291796 /nfs/dbraw/zinc/29/17/96/458291796.db2.gz RMWKUEMWBBQVBY-DLBZAZTESA-N 1 2 333.439 3.189 20 30 EGEDLO C[C@H]1CN(c2cccc3cnccc32)CC[N@H+]1C[C@@H](C#N)CCC#N ZINC000447395076 458291799 /nfs/dbraw/zinc/29/17/99/458291799.db2.gz RMWKUEMWBBQVBY-DLBZAZTESA-N 1 2 333.439 3.189 20 30 EGEDLO C=CCC1(CNc2cc(N3CC[C@H]([C@@H](C)O)C3)nc[nH+]2)CCCC1 ZINC000413313798 458297327 /nfs/dbraw/zinc/29/73/27/458297327.db2.gz HZNPYNDMIPRAMI-CVEARBPZSA-N 1 2 330.476 3.232 20 30 EGEDLO C=CCC1(CNc2cc(N3CC[C@H]([C@@H](C)O)C3)[nH+]cn2)CCCC1 ZINC000413313798 458297330 /nfs/dbraw/zinc/29/73/30/458297330.db2.gz HZNPYNDMIPRAMI-CVEARBPZSA-N 1 2 330.476 3.232 20 30 EGEDLO COC(=O)c1cnc([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)s1 ZINC000414099934 458314606 /nfs/dbraw/zinc/31/46/06/458314606.db2.gz RBQIYFNPRNCNRC-LLVKDONJSA-N 1 2 327.409 3.141 20 30 EGEDLO CC(C)c1nc2ccccc2c(SC[C@H](O)C[N@H+](C)CCC#N)n1 ZINC000414121493 458315548 /nfs/dbraw/zinc/31/55/48/458315548.db2.gz HBLFKQJLUMALKX-CQSZACIVSA-N 1 2 344.484 3.052 20 30 EGEDLO CC(C)c1nc2ccccc2c(SC[C@H](O)C[N@@H+](C)CCC#N)n1 ZINC000414121493 458315554 /nfs/dbraw/zinc/31/55/54/458315554.db2.gz HBLFKQJLUMALKX-CQSZACIVSA-N 1 2 344.484 3.052 20 30 EGEDLO N#CC1(C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)CCC1 ZINC000418145701 458372953 /nfs/dbraw/zinc/37/29/53/458372953.db2.gz YRXLIVJUBJOQPO-UHFFFAOYSA-N 1 2 327.409 3.322 20 30 EGEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(c2c(Cl)cccc2C#N)C1 ZINC000418952403 458377776 /nfs/dbraw/zinc/37/77/76/458377776.db2.gz SVIIWIRXIOOYAE-SFHVURJKSA-N 1 2 349.862 3.112 20 30 EGEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@]3(C#N)C[C@@H]3C)CC2)cc1 ZINC000448576683 458402099 /nfs/dbraw/zinc/40/20/99/458402099.db2.gz CYTYSBQYOZXIQF-JXFKEZNVSA-N 1 2 325.456 3.004 20 30 EGEDLO Cc1[nH]c(C#N)cc1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000448770442 458410097 /nfs/dbraw/zinc/41/00/97/458410097.db2.gz LUCOMKVZKXDBBP-NSHDSACASA-N 1 2 343.456 3.136 20 30 EGEDLO Cc1[nH]c(C#N)cc1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000448770442 458410101 /nfs/dbraw/zinc/41/01/01/458410101.db2.gz LUCOMKVZKXDBBP-NSHDSACASA-N 1 2 343.456 3.136 20 30 EGEDLO Cc1cc(CNC(=O)CSCc2ccc(C#N)cc2)cc(C)[nH+]1 ZINC000421580557 458417278 /nfs/dbraw/zinc/41/72/78/458417278.db2.gz WVMQQFXSEXBYCW-UHFFFAOYSA-N 1 2 325.437 3.120 20 30 EGEDLO C=CCC[C@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)C(=O)OCC ZINC000449656983 458428868 /nfs/dbraw/zinc/42/88/68/458428868.db2.gz NFILPWHVPVHWTF-KRWDZBQOSA-N 1 2 327.428 3.075 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000449967566 458436532 /nfs/dbraw/zinc/43/65/32/458436532.db2.gz VIIKYBIIVAELDF-QGTPRVQTSA-N 1 2 348.874 3.136 20 30 EGEDLO C[N@H+](CC#Cc1cccc(Cl)c1)CC(=O)NCc1cccs1 ZINC000437354140 458447242 /nfs/dbraw/zinc/44/72/42/458447242.db2.gz KQDHRSIOVGWKED-UHFFFAOYSA-N 1 2 332.856 3.001 20 30 EGEDLO C[N@@H+](CC#Cc1cccc(Cl)c1)CC(=O)NCc1cccs1 ZINC000437354140 458447249 /nfs/dbraw/zinc/44/72/49/458447249.db2.gz KQDHRSIOVGWKED-UHFFFAOYSA-N 1 2 332.856 3.001 20 30 EGEDLO COCC[N@H+](Cc1ccco1)Cc1ccc(C#N)cc1OC(F)F ZINC000437401380 458451901 /nfs/dbraw/zinc/45/19/01/458451901.db2.gz XQUBVTBTFGNOOB-UHFFFAOYSA-N 1 2 336.338 3.401 20 30 EGEDLO COCC[N@@H+](Cc1ccco1)Cc1ccc(C#N)cc1OC(F)F ZINC000437401380 458451905 /nfs/dbraw/zinc/45/19/05/458451905.db2.gz XQUBVTBTFGNOOB-UHFFFAOYSA-N 1 2 336.338 3.401 20 30 EGEDLO CC(C)(C)C1CCC(C#N)(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000377140724 458472784 /nfs/dbraw/zinc/47/27/84/458472784.db2.gz NGWIEWOUMWCNTP-TZGCNFNXSA-N 1 2 328.460 3.060 20 30 EGEDLO C=CCc1cc(C(=O)Nc2c[nH+]c3n2CCCC3)cc(OC)c1OC ZINC000452331853 458500118 /nfs/dbraw/zinc/50/01/18/458500118.db2.gz FOWBOZMFDAIUGJ-UHFFFAOYSA-N 1 2 341.411 3.217 20 30 EGEDLO CC(C)(C(=O)Nc1c[nH+]c2n1CCCC2)c1cc(F)cc(C#N)c1 ZINC000452332501 458500207 /nfs/dbraw/zinc/50/02/07/458500207.db2.gz NKFAITYYHOYLIC-UHFFFAOYSA-N 1 2 326.375 3.146 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000437842717 458501645 /nfs/dbraw/zinc/50/16/45/458501645.db2.gz PVMIDNCQDZYNGS-OXJNMPFZSA-N 1 2 348.462 3.260 20 30 EGEDLO C#Cc1ccc(C[NH2+][C@H](c2nccn2C)c2ccccc2OC)cc1 ZINC000377620145 458506359 /nfs/dbraw/zinc/50/63/59/458506359.db2.gz VQGPBUYRHVIOQA-FQEVSTJZSA-N 1 2 331.419 3.289 20 30 EGEDLO C=C(C)COc1cc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)ccc1OC ZINC000377694321 458511095 /nfs/dbraw/zinc/51/10/95/458511095.db2.gz ILHPUBQOBZTQSL-QZTJIDSGSA-N 1 2 347.455 3.030 20 30 EGEDLO C=C(C)COc1cc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)ccc1OC ZINC000377694321 458511099 /nfs/dbraw/zinc/51/10/99/458511099.db2.gz ILHPUBQOBZTQSL-QZTJIDSGSA-N 1 2 347.455 3.030 20 30 EGEDLO C=C(C)CN(Cc1ccc(CO)o1)c1[nH+]c2ccc(F)cc2n1C ZINC000431425740 458571227 /nfs/dbraw/zinc/57/12/27/458571227.db2.gz GVKIQSXABICXPI-UHFFFAOYSA-N 1 2 329.375 3.380 20 30 EGEDLO COc1ccc(C[N@@H+]2CCc3ncsc3C2)cc1OCCCC#N ZINC000438372578 458571480 /nfs/dbraw/zinc/57/14/80/458571480.db2.gz MFELPXHTCIXQBX-UHFFFAOYSA-N 1 2 343.452 3.393 20 30 EGEDLO COc1ccc(C[N@H+]2CCc3ncsc3C2)cc1OCCCC#N ZINC000438372578 458571484 /nfs/dbraw/zinc/57/14/84/458571484.db2.gz MFELPXHTCIXQBX-UHFFFAOYSA-N 1 2 343.452 3.393 20 30 EGEDLO C=CC(C)(C)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000455369066 458595136 /nfs/dbraw/zinc/59/51/36/458595136.db2.gz PKOIUQGIEXRFCM-OAHLLOKOSA-N 1 2 330.407 3.160 20 30 EGEDLO C=CCC1(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)CCCC1 ZINC000455477860 458601647 /nfs/dbraw/zinc/60/16/47/458601647.db2.gz LVUAXKWTVBHJCJ-UHFFFAOYSA-N 1 2 342.487 3.045 20 30 EGEDLO C=CCC(C)(C)CNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000432087779 458674817 /nfs/dbraw/zinc/67/48/17/458674817.db2.gz GAQMEAPVTWGWMA-OAHLLOKOSA-N 1 2 339.430 3.469 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](OCC3CC3)C2)c1C ZINC000494705422 458734179 /nfs/dbraw/zinc/73/41/79/458734179.db2.gz ZGGSXZUMKKYRKL-SFHVURJKSA-N 1 2 330.472 3.365 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](OCC3CC3)C2)c1C ZINC000494705422 458734185 /nfs/dbraw/zinc/73/41/85/458734185.db2.gz ZGGSXZUMKKYRKL-SFHVURJKSA-N 1 2 330.472 3.365 20 30 EGEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000505147786 458741075 /nfs/dbraw/zinc/74/10/75/458741075.db2.gz CZCGYVKRLKDYHX-HXUWFJFHSA-N 1 2 327.472 3.394 20 30 EGEDLO CC1(C)CCC(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000494769210 458743581 /nfs/dbraw/zinc/74/35/81/458743581.db2.gz IYJACIPVJCXEDT-UHFFFAOYSA-N 1 2 339.483 3.419 20 30 EGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)CC(C)(C)C#N)n2)C1 ZINC000432629852 458764903 /nfs/dbraw/zinc/76/49/03/458764903.db2.gz BHHZASVWEQZDHA-ZDUSSCGKSA-N 1 2 349.504 3.388 20 30 EGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)CC(C)(C)C#N)n2)C1 ZINC000432629852 458764910 /nfs/dbraw/zinc/76/49/10/458764910.db2.gz BHHZASVWEQZDHA-ZDUSSCGKSA-N 1 2 349.504 3.388 20 30 EGEDLO N#C[C@H]1C[N@@H+](Cc2cc(Cl)cs2)C[C@@]12C(=O)Nc1ccccc12 ZINC000494934899 458768417 /nfs/dbraw/zinc/76/84/17/458768417.db2.gz XWAYKZAQUKVFMM-APPDUMDISA-N 1 2 343.839 3.247 20 30 EGEDLO N#C[C@H]1C[N@H+](Cc2cc(Cl)cs2)C[C@@]12C(=O)Nc1ccccc12 ZINC000494934899 458768420 /nfs/dbraw/zinc/76/84/20/458768420.db2.gz XWAYKZAQUKVFMM-APPDUMDISA-N 1 2 343.839 3.247 20 30 EGEDLO C=C(C)CC[N@@H+](CC(=O)OC)Cc1cccc(Br)c1 ZINC000510775712 458776171 /nfs/dbraw/zinc/77/61/71/458776171.db2.gz FSEMERCBFVWPNW-UHFFFAOYSA-N 1 2 326.234 3.390 20 30 EGEDLO C=C(C)CC[N@H+](CC(=O)OC)Cc1cccc(Br)c1 ZINC000510775712 458776179 /nfs/dbraw/zinc/77/61/79/458776179.db2.gz FSEMERCBFVWPNW-UHFFFAOYSA-N 1 2 326.234 3.390 20 30 EGEDLO C=C(C)COCCNc1cc(Nc2ccc(OC)cc2OC)nc[nH+]1 ZINC000511878853 458780866 /nfs/dbraw/zinc/78/08/66/458780866.db2.gz IPBDOJLXVIRERB-UHFFFAOYSA-N 1 2 344.415 3.242 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000517682273 458830891 /nfs/dbraw/zinc/83/08/91/458830891.db2.gz DHUVAOJAJVDANK-OIISXLGYSA-N 1 2 329.444 3.298 20 30 EGEDLO CC#CC[N@H+](C)Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000550489583 458886677 /nfs/dbraw/zinc/88/66/77/458886677.db2.gz MVORVHIXEAGDDR-UHFFFAOYSA-N 1 2 327.449 3.283 20 30 EGEDLO CC#CC[N@@H+](C)Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000550489583 458886681 /nfs/dbraw/zinc/88/66/81/458886681.db2.gz MVORVHIXEAGDDR-UHFFFAOYSA-N 1 2 327.449 3.283 20 30 EGEDLO CSCc1cnc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)s1 ZINC000552038088 458890336 /nfs/dbraw/zinc/89/03/36/458890336.db2.gz MLWZVQHFGFNWPN-UHFFFAOYSA-N 1 2 344.509 3.458 20 30 EGEDLO Cc1ccc(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)c(C)[nH+]1 ZINC000496108549 459070497 /nfs/dbraw/zinc/07/04/97/459070497.db2.gz UJKCTLUQQYESLE-HNNXBMFYSA-N 1 2 346.431 3.224 20 30 EGEDLO COc1cc(C#N)ccc1C[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000521115258 459121464 /nfs/dbraw/zinc/12/14/64/459121464.db2.gz XCGSJDDOMLFUKX-HXUWFJFHSA-N 1 2 336.435 3.400 20 30 EGEDLO COc1cc(C#N)ccc1C[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000521115258 459121469 /nfs/dbraw/zinc/12/14/69/459121469.db2.gz XCGSJDDOMLFUKX-HXUWFJFHSA-N 1 2 336.435 3.400 20 30 EGEDLO COc1ccc(C[NH+]2CCN(C/C=C\c3ccccc3)CC2)cc1C#N ZINC000533079725 459185517 /nfs/dbraw/zinc/18/55/17/459185517.db2.gz LZTNURSPAQRIBS-YVMONPNESA-N 1 2 347.462 3.398 20 30 EGEDLO C=CCCSCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000595061268 459232116 /nfs/dbraw/zinc/23/21/16/459232116.db2.gz ZOJIKPZPRKQPOB-INIZCTEOSA-N 1 2 346.456 3.317 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000579598389 459249407 /nfs/dbraw/zinc/24/94/07/459249407.db2.gz DCDFTOSAVHCZMR-HWWQOWPSSA-N 1 2 340.254 3.057 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000579598390 459249703 /nfs/dbraw/zinc/24/97/03/459249703.db2.gz DCDFTOSAVHCZMR-OZVIIMIRSA-N 1 2 340.254 3.057 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)c2c(Cl)cc(C#N)cc2Cl)c2[nH+]ccn21 ZINC000590875719 459253991 /nfs/dbraw/zinc/25/39/91/459253991.db2.gz LODLFTQQPQNNAH-PRHODGIISA-N 1 2 335.194 3.497 20 30 EGEDLO CCc1[nH+]c2ccccc2n1C1CCN(c2cc(C#N)ncn2)CC1 ZINC000559501446 459262833 /nfs/dbraw/zinc/26/28/33/459262833.db2.gz DVDYMAHSMDOCDM-UHFFFAOYSA-N 1 2 332.411 3.102 20 30 EGEDLO C=CCOC[C@@H]([NH2+]C1CCC(C)(c2ccccc2)CC1)C(=O)OC ZINC000482455571 459310075 /nfs/dbraw/zinc/31/00/75/459310075.db2.gz QDXOIEYLLAGPII-QPIRBTGLSA-N 1 2 331.456 3.221 20 30 EGEDLO Cc1cc(N2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000496875132 459354418 /nfs/dbraw/zinc/35/44/18/459354418.db2.gz MBQZPJWZQBSADA-GDBMZVCRSA-N 1 2 342.443 3.097 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595617149 459370100 /nfs/dbraw/zinc/37/01/00/459370100.db2.gz VFYNCGLGOUMSCF-QWHCGFSZSA-N 1 2 330.819 3.164 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595617149 459370103 /nfs/dbraw/zinc/37/01/03/459370103.db2.gz VFYNCGLGOUMSCF-QWHCGFSZSA-N 1 2 330.819 3.164 20 30 EGEDLO CC(C)c1ccc2c(c1)C[N@H+]([C@H](C(N)=O)c1ccc(C#N)cc1)CC2 ZINC000595658772 459386534 /nfs/dbraw/zinc/38/65/34/459386534.db2.gz VCAYXNGVXZXYHU-FQEVSTJZSA-N 1 2 333.435 3.266 20 30 EGEDLO CC(C)c1ccc2c(c1)C[N@@H+]([C@H](C(N)=O)c1ccc(C#N)cc1)CC2 ZINC000595658772 459386542 /nfs/dbraw/zinc/38/65/42/459386542.db2.gz VCAYXNGVXZXYHU-FQEVSTJZSA-N 1 2 333.435 3.266 20 30 EGEDLO C[C@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)[C@@H]1CCO ZINC000595697571 459401594 /nfs/dbraw/zinc/40/15/94/459401594.db2.gz LTXUIMFETBTLKA-BLLLJJGKSA-N 1 2 337.261 3.304 20 30 EGEDLO C[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)[C@@H]1CCO ZINC000595697571 459401597 /nfs/dbraw/zinc/40/15/97/459401597.db2.gz LTXUIMFETBTLKA-BLLLJJGKSA-N 1 2 337.261 3.304 20 30 EGEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000595706569 459407090 /nfs/dbraw/zinc/40/70/90/459407090.db2.gz YVVGCBJOZQVGRS-MOPGFXCFSA-N 1 2 335.382 3.250 20 30 EGEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000595706569 459407097 /nfs/dbraw/zinc/40/70/97/459407097.db2.gz YVVGCBJOZQVGRS-MOPGFXCFSA-N 1 2 335.382 3.250 20 30 EGEDLO CC(=O)N1CCCCC[C@H]1C1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000591819969 459447074 /nfs/dbraw/zinc/44/70/74/459447074.db2.gz ZVVFMEOLBAPNDZ-IBGZPJMESA-N 1 2 340.471 3.269 20 30 EGEDLO CC(C)(C#N)CCS(=O)(=O)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000569650658 459486343 /nfs/dbraw/zinc/48/63/43/459486343.db2.gz RGWKOMPZJLOKNW-UHFFFAOYSA-N 1 2 343.452 3.358 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CSc1cc(Cl)ccc1Cl ZINC000562322766 459537588 /nfs/dbraw/zinc/53/75/88/459537588.db2.gz KZSSPGMWZODSDA-CQSZACIVSA-N 1 2 346.283 3.046 20 30 EGEDLO N#CC[C@@]1(O)CC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000592153168 459538201 /nfs/dbraw/zinc/53/82/01/459538201.db2.gz JZNYYMHFNSLMQH-MRXNPFEDSA-N 1 2 333.844 3.314 20 30 EGEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000592153168 459538206 /nfs/dbraw/zinc/53/82/06/459538206.db2.gz JZNYYMHFNSLMQH-MRXNPFEDSA-N 1 2 333.844 3.314 20 30 EGEDLO C=CCn1cccc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000488876374 459555304 /nfs/dbraw/zinc/55/53/04/459555304.db2.gz HZYKFOXDFAFBDK-UHFFFAOYSA-N 1 2 326.444 3.203 20 30 EGEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000489424786 459564335 /nfs/dbraw/zinc/56/43/35/459564335.db2.gz KPWNZBHSOOZZHA-QGZVFWFLSA-N 1 2 338.455 3.468 20 30 EGEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000489424786 459564341 /nfs/dbraw/zinc/56/43/41/459564341.db2.gz KPWNZBHSOOZZHA-QGZVFWFLSA-N 1 2 338.455 3.468 20 30 EGEDLO C#C[C@H](NC(=O)NCCCCNc1cccc[nH+]1)c1ccc(F)cc1 ZINC000491460581 459628848 /nfs/dbraw/zinc/62/88/48/459628848.db2.gz AFBZSMHGBGMPEL-KRWDZBQOSA-N 1 2 340.402 3.087 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@@H](C)c2cccc(Cl)c2)n1 ZINC000491508207 459632778 /nfs/dbraw/zinc/63/27/78/459632778.db2.gz YWMSQSCUXMYCFU-HNNXBMFYSA-N 1 2 331.847 3.379 20 30 EGEDLO C#CCn1ccc(C[N@H+](CCOC)[C@@H](C)c2cccc(Cl)c2)n1 ZINC000491508207 459632782 /nfs/dbraw/zinc/63/27/82/459632782.db2.gz YWMSQSCUXMYCFU-HNNXBMFYSA-N 1 2 331.847 3.379 20 30 EGEDLO N#Cc1ccncc1N1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC000573184122 459637881 /nfs/dbraw/zinc/63/78/81/459637881.db2.gz ATVPITKBKCYTBA-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO Cc1cccc2[nH+]c(CCNC(=O)C[C@@H](CC#N)c3ccccc3)cn21 ZINC000592745544 459682793 /nfs/dbraw/zinc/68/27/93/459682793.db2.gz ISCONIIHQSKROE-GOSISDBHSA-N 1 2 346.434 3.389 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000596589693 459686538 /nfs/dbraw/zinc/68/65/38/459686538.db2.gz BTQRQRXYWWWLEJ-NVXWUHKLSA-N 1 2 340.471 3.196 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000596589693 459686541 /nfs/dbraw/zinc/68/65/41/459686541.db2.gz BTQRQRXYWWWLEJ-NVXWUHKLSA-N 1 2 340.471 3.196 20 30 EGEDLO CCN(CC)c1ccc(CNC(=O)CC2(C#N)CCCCC2)c[nH+]1 ZINC000596820160 459770315 /nfs/dbraw/zinc/77/03/15/459770315.db2.gz ZNDXUJJTPMTINB-UHFFFAOYSA-N 1 2 328.460 3.408 20 30 EGEDLO C[C@@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccccc1C(F)(F)F ZINC000565050597 459780602 /nfs/dbraw/zinc/78/06/02/459780602.db2.gz HBDOZEFJRBSPJS-LRDDRELGSA-N 1 2 341.377 3.159 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000593155499 459790675 /nfs/dbraw/zinc/79/06/75/459790675.db2.gz WNYBFNSMKDPNIG-INIZCTEOSA-N 1 2 348.859 3.037 20 30 EGEDLO CC1(C#N)CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)CC1 ZINC000528438438 459806732 /nfs/dbraw/zinc/80/67/32/459806732.db2.gz JZIYMXWDMSCIQG-OAHLLOKOSA-N 1 2 335.810 3.210 20 30 EGEDLO N#CCCC[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000597081975 459833168 /nfs/dbraw/zinc/83/31/68/459833168.db2.gz KLUHCQYGFDIXHV-UHFFFAOYSA-N 1 2 348.038 3.311 20 30 EGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl ZINC000597164324 459858285 /nfs/dbraw/zinc/85/82/85/459858285.db2.gz AGWOPWYWVUCBKE-GIPNMCIBSA-N 1 2 349.221 3.211 20 30 EGEDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000587024617 459890441 /nfs/dbraw/zinc/89/04/41/459890441.db2.gz DURHPSMUBNBHJN-AWEZNQCLSA-N 1 2 349.463 3.446 20 30 EGEDLO CC[C@H](C#N)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000593462508 459896062 /nfs/dbraw/zinc/89/60/62/459896062.db2.gz VLUWUBYVFUMJLE-DOMZBBRYSA-N 1 2 337.826 3.109 20 30 EGEDLO CC[C@H](C#N)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000593462508 459896065 /nfs/dbraw/zinc/89/60/65/459896065.db2.gz VLUWUBYVFUMJLE-DOMZBBRYSA-N 1 2 337.826 3.109 20 30 EGEDLO Cc1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c(F)c1 ZINC000602444566 459941866 /nfs/dbraw/zinc/94/18/66/459941866.db2.gz HQSCGJSUBCEQGN-UHFFFAOYSA-N 1 2 340.402 3.193 20 30 EGEDLO COC(=O)[C@H](c1cc(F)c(F)c(F)c1)[N@H+](C)C[C@H](C)CCC#N ZINC000602482686 459961367 /nfs/dbraw/zinc/96/13/67/459961367.db2.gz PYFKJLHPGVOEGW-BMIGLBTASA-N 1 2 328.334 3.190 20 30 EGEDLO COC(=O)[C@H](c1cc(F)c(F)c(F)c1)[N@@H+](C)C[C@H](C)CCC#N ZINC000602482686 459961372 /nfs/dbraw/zinc/96/13/72/459961372.db2.gz PYFKJLHPGVOEGW-BMIGLBTASA-N 1 2 328.334 3.190 20 30 EGEDLO N#CCCCCCC(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000597640449 460015390 /nfs/dbraw/zinc/01/53/90/460015390.db2.gz KQLJBCBDLFKQAE-UHFFFAOYSA-N 1 2 334.489 3.081 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000575878528 460025752 /nfs/dbraw/zinc/02/57/52/460025752.db2.gz RKSBMXYEFDCKQL-HNNXBMFYSA-N 1 2 340.858 3.485 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000575878528 460025760 /nfs/dbraw/zinc/02/57/60/460025760.db2.gz RKSBMXYEFDCKQL-HNNXBMFYSA-N 1 2 340.858 3.485 20 30 EGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000597721216 460038765 /nfs/dbraw/zinc/03/87/65/460038765.db2.gz YTSJIOUHNBRLKV-HUUCEWRRSA-N 1 2 338.411 3.211 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026108 460061762 /nfs/dbraw/zinc/06/17/62/460061762.db2.gz CVUMBCWXOIUMSB-INIZCTEOSA-N 1 2 347.846 3.184 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026108 460061775 /nfs/dbraw/zinc/06/17/75/460061775.db2.gz CVUMBCWXOIUMSB-INIZCTEOSA-N 1 2 347.846 3.184 20 30 EGEDLO N#Cc1ccsc1NC(=O)CC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000594031983 460064836 /nfs/dbraw/zinc/06/48/36/460064836.db2.gz UEDJGEOCAGQULL-UHFFFAOYSA-N 1 2 333.363 3.242 20 30 EGEDLO N#Cc1cnc2c(F)ccc(F)c2c1N1CCC(n2cc[nH+]c2)CC1 ZINC000610274900 460103119 /nfs/dbraw/zinc/10/31/19/460103119.db2.gz PGHVWZPTQLUKLK-UHFFFAOYSA-N 1 2 339.349 3.423 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000576409418 460135739 /nfs/dbraw/zinc/13/57/39/460135739.db2.gz SDHGNLGDVLHVKV-CRAIPNDOSA-N 1 2 345.443 3.375 20 30 EGEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(N2CCc3ccccc32)cc1 ZINC000602867964 460165241 /nfs/dbraw/zinc/16/52/41/460165241.db2.gz GDWSZPYULSOADO-OAHLLOKOSA-N 1 2 334.423 3.211 20 30 EGEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(N2CCc3ccccc32)cc1 ZINC000602867963 460165527 /nfs/dbraw/zinc/16/55/27/460165527.db2.gz GDWSZPYULSOADO-HNNXBMFYSA-N 1 2 334.423 3.211 20 30 EGEDLO COc1ccc([C@H]2CCCCCN2C(=O)C[NH2+][C@H](C)CC#N)cc1 ZINC000602868918 460166193 /nfs/dbraw/zinc/16/61/93/460166193.db2.gz KZNQJTABBWBISF-CRAIPNDOSA-N 1 2 329.444 3.031 20 30 EGEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000618785981 460172981 /nfs/dbraw/zinc/17/29/81/460172981.db2.gz AXVQLVJBCSACOO-FQEVSTJZSA-N 1 2 342.402 3.220 20 30 EGEDLO Cc1cccn2cc(CN3CCN([C@H](C#N)c4ccccc4)CC3)[nH+]c12 ZINC000610675764 460213010 /nfs/dbraw/zinc/21/30/10/460213010.db2.gz HJCIXNHPADIJDE-HXUWFJFHSA-N 1 2 345.450 3.025 20 30 EGEDLO Cc1cccc2c1ncc(C#N)c2N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000618980262 460240657 /nfs/dbraw/zinc/24/06/57/460240657.db2.gz MDIWRWVNFOUHDO-QGZVFWFLSA-N 1 2 330.391 3.468 20 30 EGEDLO CC(C)(C)OC(=O)[C@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000610859304 460249700 /nfs/dbraw/zinc/24/97/00/460249700.db2.gz ITRAMNRKBFHQRR-QGZVFWFLSA-N 1 2 344.455 3.030 20 30 EGEDLO CC(C)(C)OC(=O)[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000610859304 460249706 /nfs/dbraw/zinc/24/97/06/460249706.db2.gz ITRAMNRKBFHQRR-QGZVFWFLSA-N 1 2 344.455 3.030 20 30 EGEDLO COc1cc(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c(F)cc1C#N ZINC000599819894 460341868 /nfs/dbraw/zinc/34/18/68/460341868.db2.gz UJDZICFMYJJMSY-AWEZNQCLSA-N 1 2 343.362 3.188 20 30 EGEDLO COc1ccc(C)cc1C[NH+]1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000612058602 460523779 /nfs/dbraw/zinc/52/37/79/460523779.db2.gz WUSMRRUQBPAJHE-UHFFFAOYSA-N 1 2 349.478 3.388 20 30 EGEDLO C=CCOc1ccc(C(=O)NCc2ccc[nH+]c2N2CCCC2)cc1 ZINC000617481053 460876307 /nfs/dbraw/zinc/87/63/07/460876307.db2.gz HQKNTBYDBGRRHV-UHFFFAOYSA-N 1 2 337.423 3.177 20 30 EGEDLO N#Cc1cccc(C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)n1 ZINC000637953360 461149214 /nfs/dbraw/zinc/14/92/14/461149214.db2.gz PVZVDFNZJUYHSO-UHFFFAOYSA-N 1 2 341.361 3.326 20 30 EGEDLO C=CC[C@H]1CCCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000660289992 461689943 /nfs/dbraw/zinc/68/99/43/461689943.db2.gz ATHSXDIZEUEALG-KRWDZBQOSA-N 1 2 338.455 3.429 20 30 EGEDLO C=C(C)CN(CC)C(=O)COc1cc(C)[nH+]c2ccc(OC)cc21 ZINC000656505059 461770508 /nfs/dbraw/zinc/77/05/08/461770508.db2.gz XOVLLGLLMLWSBD-UHFFFAOYSA-N 1 2 328.412 3.355 20 30 EGEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC000653756511 461843241 /nfs/dbraw/zinc/84/32/41/461843241.db2.gz ATAWQDVKXJYJEZ-AAEUAGOBSA-N 1 2 327.384 3.244 20 30 EGEDLO C=CCCn1cc(C[NH2+]Cc2ccccc2N2CCCCC2)nn1 ZINC000657430364 462118020 /nfs/dbraw/zinc/11/80/20/462118020.db2.gz XUBJHJZRYXPRJU-UHFFFAOYSA-N 1 2 325.460 3.134 20 30 EGEDLO C=CC[N@H+](CC(=O)c1cc(C)n(CC(F)(F)F)c1C)[C@@H](C)COC ZINC000661242577 462167699 /nfs/dbraw/zinc/16/76/99/462167699.db2.gz CLLWRKKPVOKQNW-ZDUSSCGKSA-N 1 2 346.393 3.373 20 30 EGEDLO C=CC[N@@H+](CC(=O)c1cc(C)n(CC(F)(F)F)c1C)[C@@H](C)COC ZINC000661242577 462167705 /nfs/dbraw/zinc/16/77/05/462167705.db2.gz CLLWRKKPVOKQNW-ZDUSSCGKSA-N 1 2 346.393 3.373 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C)COC ZINC000661242663 462167877 /nfs/dbraw/zinc/16/78/77/462167877.db2.gz DMJNGEXBZCOJNL-GFCCVEGCSA-N 1 2 330.350 3.167 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C)COC ZINC000661242663 462167882 /nfs/dbraw/zinc/16/78/82/462167882.db2.gz DMJNGEXBZCOJNL-GFCCVEGCSA-N 1 2 330.350 3.167 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCC3CCCC3)CC2)s1 ZINC000130325277 534780904 /nfs/dbraw/zinc/78/09/04/534780904.db2.gz HJKKSQDVLWSYRW-UHFFFAOYSA-N 1 2 331.485 3.234 20 30 EGEDLO CC[N@H+](Cc1cnn(C)c1)Cc1ccc(C#N)cc1Br ZINC000181056273 528877720 /nfs/dbraw/zinc/87/77/20/528877720.db2.gz FVEDHMLJHUIYPN-UHFFFAOYSA-N 1 2 333.233 3.076 20 30 EGEDLO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(C#N)cc1Br ZINC000181056273 528877722 /nfs/dbraw/zinc/87/77/22/528877722.db2.gz FVEDHMLJHUIYPN-UHFFFAOYSA-N 1 2 333.233 3.076 20 30 EGEDLO CCOc1ccccc1C[N@H+](C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000172169084 535504811 /nfs/dbraw/zinc/50/48/11/535504811.db2.gz BXFFVMARPDHROZ-LJQANCHMSA-N 1 2 349.434 3.194 20 30 EGEDLO CCOc1ccccc1C[N@@H+](C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000172169084 535504815 /nfs/dbraw/zinc/50/48/15/535504815.db2.gz BXFFVMARPDHROZ-LJQANCHMSA-N 1 2 349.434 3.194 20 30 EGEDLO COC(=O)c1cc(NCc2c[nH+]c3ccc(C#N)cn23)cc(C)c1C ZINC000342796404 536567140 /nfs/dbraw/zinc/56/71/40/536567140.db2.gz HCWRKXDYSSMRIG-UHFFFAOYSA-N 1 2 334.379 3.222 20 30 EGEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000329716120 547506076 /nfs/dbraw/zinc/50/60/76/547506076.db2.gz VZWMBZAUFGJMFB-ZJPYXAASSA-N 1 2 338.492 3.182 20 30 EGEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000329716120 547506079 /nfs/dbraw/zinc/50/60/79/547506079.db2.gz VZWMBZAUFGJMFB-ZJPYXAASSA-N 1 2 338.492 3.182 20 30 EGEDLO CCC[N@H+](CC#CCOC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000677477004 549277613 /nfs/dbraw/zinc/27/76/13/549277613.db2.gz MBRBGVINHJLXCY-UHFFFAOYSA-N 1 2 343.254 3.294 20 30 EGEDLO CCC[N@@H+](CC#CCOC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000677477004 549277617 /nfs/dbraw/zinc/27/76/17/549277617.db2.gz MBRBGVINHJLXCY-UHFFFAOYSA-N 1 2 343.254 3.294 20 30 EGEDLO C=CCCOCC(=O)N1CCC(n2c(CC)[nH+]c3ccccc32)CC1 ZINC000678490649 549507632 /nfs/dbraw/zinc/50/76/32/549507632.db2.gz OJJPYSDCOLRYKB-UHFFFAOYSA-N 1 2 341.455 3.355 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000680999565 549940177 /nfs/dbraw/zinc/94/01/77/549940177.db2.gz IREXMYCLQQYJFP-HZPDHXFCSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000680999565 549940178 /nfs/dbraw/zinc/94/01/78/549940178.db2.gz IREXMYCLQQYJFP-HZPDHXFCSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000726070786 574539466 /nfs/dbraw/zinc/53/94/66/574539466.db2.gz AAYVPBAYMLIXSK-LBPRGKRZSA-N 1 2 333.270 3.226 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000726070786 574539468 /nfs/dbraw/zinc/53/94/68/574539468.db2.gz AAYVPBAYMLIXSK-LBPRGKRZSA-N 1 2 333.270 3.226 20 30 EGEDLO COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+](CCC#N)CC(C)C ZINC000739914851 574576515 /nfs/dbraw/zinc/57/65/15/574576515.db2.gz PGKUUNWRENFTLP-INIZCTEOSA-N 1 2 331.460 3.086 20 30 EGEDLO COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+](CCC#N)CC(C)C ZINC000739914851 574576516 /nfs/dbraw/zinc/57/65/16/574576516.db2.gz PGKUUNWRENFTLP-INIZCTEOSA-N 1 2 331.460 3.086 20 30 EGEDLO CNC(=O)c1ccc(C[N@H+](Cc2ccc(F)cc2C#N)C2CC2)cc1 ZINC000728569582 574758800 /nfs/dbraw/zinc/75/88/00/574758800.db2.gz NAEAZZQCOPXYOQ-UHFFFAOYSA-N 1 2 337.398 3.222 20 30 EGEDLO CNC(=O)c1ccc(C[N@@H+](Cc2ccc(F)cc2C#N)C2CC2)cc1 ZINC000728569582 574758802 /nfs/dbraw/zinc/75/88/02/574758802.db2.gz NAEAZZQCOPXYOQ-UHFFFAOYSA-N 1 2 337.398 3.222 20 30 EGEDLO Cc1c(C=[NH+]NCCCc2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000729145786 574818438 /nfs/dbraw/zinc/81/84/38/574818438.db2.gz DTCDYEQLGYCNCE-UHFFFAOYSA-N 1 2 348.450 3.041 20 30 EGEDLO C=CCn1nnn(C[NH+]2CCC(c3ccccc3C)CC2)c1=S ZINC000730253503 574962516 /nfs/dbraw/zinc/96/25/16/574962516.db2.gz IAJBHOIADABNQV-UHFFFAOYSA-N 1 2 329.473 3.141 20 30 EGEDLO COc1ccc(O)c(/C=[NH+]\C[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1 ZINC000734366430 575474566 /nfs/dbraw/zinc/47/45/66/575474566.db2.gz RNEHBVWHAMBLMR-SMLKNPDNSA-N 1 2 336.432 3.369 20 30 EGEDLO C=CC[C@@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccncc1 ZINC000734663074 575534018 /nfs/dbraw/zinc/53/40/18/575534018.db2.gz HDHHSWLIXXWFGP-GOSISDBHSA-N 1 2 347.422 3.384 20 30 EGEDLO C=CC[C@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccncc1 ZINC000734683835 575536882 /nfs/dbraw/zinc/53/68/82/575536882.db2.gz QUHXMYZREAWOKX-CVEARBPZSA-N 1 2 325.416 3.011 20 30 EGEDLO C(=[NH+]Nc1cccnn1)c1cc2ccccc2nc1N1CCCCC1 ZINC000735974704 575745869 /nfs/dbraw/zinc/74/58/69/575745869.db2.gz LZKPLHQNNKNGQL-UHFFFAOYSA-N 1 2 332.411 3.461 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2C[C@H](C)C[C@@H]2C)c1=S ZINC000740861952 576631001 /nfs/dbraw/zinc/63/10/01/576631001.db2.gz UAGMCAHZBMUIHB-KGLIPLIRSA-N 1 2 329.473 3.350 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+]2C[C@H](C)C[C@@H]2C)c1=S ZINC000740861952 576631003 /nfs/dbraw/zinc/63/10/03/576631003.db2.gz UAGMCAHZBMUIHB-KGLIPLIRSA-N 1 2 329.473 3.350 20 30 EGEDLO COc1ccc(C[NH2+][C@@H](c2nccn2C)c2ccccc2)cc1C#N ZINC000742366402 576773838 /nfs/dbraw/zinc/77/38/38/576773838.db2.gz CSGINPDRLMNLAT-LJQANCHMSA-N 1 2 332.407 3.180 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000743866860 576817710 /nfs/dbraw/zinc/81/77/10/576817710.db2.gz OCSNRYAZGDRFRN-GFCCVEGCSA-N 1 2 333.270 3.226 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000743866860 576817709 /nfs/dbraw/zinc/81/77/09/576817709.db2.gz OCSNRYAZGDRFRN-GFCCVEGCSA-N 1 2 333.270 3.226 20 30 EGEDLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)O[NH+]=C(N)c1ccccc1 ZINC000015365512 1291150210 /nfs/dbraw/zinc/15/02/10/1291150210.db2.gz HOWAHWUEELJRQF-LBPRGKRZSA-N 1 2 331.803 3.313 20 30 EGEDLO N#Cc1ccccc1/C=C/C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000024750531 1291248689 /nfs/dbraw/zinc/24/86/89/1291248689.db2.gz XJYBRGQJEMLMKX-CMDGGOBGSA-N 1 2 342.402 3.133 20 30 EGEDLO C#CC[N@@H+](CC(=O)Nc1ccc(OC)cc1)[C@H]1CCc2ccccc21 ZINC000052845751 1291712173 /nfs/dbraw/zinc/71/21/73/1291712173.db2.gz MXAYKNOVQSVICC-FQEVSTJZSA-N 1 2 334.419 3.256 20 30 EGEDLO C#CC[N@H+](CC(=O)Nc1ccc(OC)cc1)[C@H]1CCc2ccccc21 ZINC000052845751 1291712178 /nfs/dbraw/zinc/71/21/78/1291712178.db2.gz MXAYKNOVQSVICC-FQEVSTJZSA-N 1 2 334.419 3.256 20 30 EGEDLO C[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)[N@@H+]1CCc2ccccc2C1 ZINC000075580908 1292399867 /nfs/dbraw/zinc/39/98/67/1292399867.db2.gz QYBMFKHSVMQZHL-PVGUKEHMSA-N 1 2 339.395 3.166 20 30 EGEDLO C[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)[N@H+]1CCc2ccccc2C1 ZINC000075580908 1292399879 /nfs/dbraw/zinc/39/98/79/1292399879.db2.gz QYBMFKHSVMQZHL-PVGUKEHMSA-N 1 2 339.395 3.166 20 30 EGEDLO Cc1cc(-c2noc(CO[NH+]=C(N)c3ccccc3)n2)ccc1F ZINC000178124229 1294716421 /nfs/dbraw/zinc/71/64/21/1294716421.db2.gz JOEDFRZSGQYIHF-UHFFFAOYSA-N 1 2 326.331 3.021 20 30 EGEDLO COc1ccc(C(N)=[NH+]O[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000180358786 1294883149 /nfs/dbraw/zinc/88/31/49/1294883149.db2.gz PRFNEQWCEKLAEV-GFCCVEGCSA-N 1 2 329.356 3.310 20 30 EGEDLO O=C(C#Cc1ccc(C(F)(F)F)cc1)NCc1ccn2cc[nH+]c2c1 ZINC000189443474 1295523067 /nfs/dbraw/zinc/52/30/67/1295523067.db2.gz DCPRBCWIAYLERW-UHFFFAOYSA-N 1 2 343.308 3.021 20 30 EGEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1cc2c(s1)SCC(=O)N2 ZINC000588450262 1298066851 /nfs/dbraw/zinc/06/68/51/1298066851.db2.gz RWBNAFYDOQKMJS-PLNGDYQASA-N 1 2 341.417 3.336 20 30 EGEDLO C=CCCOCCCCC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874891545 1298150122 /nfs/dbraw/zinc/15/01/22/1298150122.db2.gz NYUVBURILYDOSZ-SFHVURJKSA-N 1 2 334.435 3.062 20 30 EGEDLO N#CCOc1ccc(C[NH2+]Cc2ncc(Br)s2)cc1 ZINC000714945659 1298275704 /nfs/dbraw/zinc/27/57/04/1298275704.db2.gz KQDHZPCDCHKTAH-UHFFFAOYSA-N 1 2 338.230 3.098 20 30 EGEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCOC[C@H]1CC(C)C)c1ccccc1 ZINC000878108573 1299753784 /nfs/dbraw/zinc/75/37/84/1299753784.db2.gz WLEIHWQPONJDLC-UXHICEINSA-N 1 2 328.456 3.174 20 30 EGEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCOC[C@H]1CC(C)C)c1ccccc1 ZINC000878108573 1299753791 /nfs/dbraw/zinc/75/37/91/1299753791.db2.gz WLEIHWQPONJDLC-UXHICEINSA-N 1 2 328.456 3.174 20 30 EGEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCCC[C@H]1c1cc[nH]n1)c1ccccc1 ZINC000878601243 1300100465 /nfs/dbraw/zinc/10/04/65/1300100465.db2.gz JGNDWOMSRYQPPD-PMACEKPBSA-N 1 2 336.439 3.377 20 30 EGEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCCC[C@H]1c1cc[nH]n1)c1ccccc1 ZINC000878601243 1300100469 /nfs/dbraw/zinc/10/04/69/1300100469.db2.gz JGNDWOMSRYQPPD-PMACEKPBSA-N 1 2 336.439 3.377 20 30 EGEDLO Cc1[nH+]c[nH]c1CN=Nc1cc(C(F)(F)F)nc(-c2cccnc2)n1 ZINC000755717052 1300384641 /nfs/dbraw/zinc/38/46/41/1300384641.db2.gz KACURRACGKQVIR-UHFFFAOYSA-N 1 2 347.304 3.035 20 30 EGEDLO CC(=O)c1cccc(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)c1 ZINC000879590690 1300617139 /nfs/dbraw/zinc/61/71/39/1300617139.db2.gz IEROSVAOFBLXQH-UHFFFAOYSA-N 1 2 337.398 3.222 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000758034382 1300775527 /nfs/dbraw/zinc/77/55/27/1300775527.db2.gz GBTROPSNWGFHMK-PBHICJAKSA-N 1 2 340.427 3.017 20 30 EGEDLO N#Cc1c(NC(=O)C[N@H+]2CC[C@@H](CF)C2)sc2c1CCCCC2 ZINC000880294506 1301033593 /nfs/dbraw/zinc/03/35/93/1301033593.db2.gz KWGUXFUVPQNONG-LBPRGKRZSA-N 1 2 335.448 3.119 20 30 EGEDLO N#Cc1c(NC(=O)C[N@@H+]2CC[C@@H](CF)C2)sc2c1CCCCC2 ZINC000880294506 1301033603 /nfs/dbraw/zinc/03/36/03/1301033603.db2.gz KWGUXFUVPQNONG-LBPRGKRZSA-N 1 2 335.448 3.119 20 30 EGEDLO C[C@H]1CCN(C(=O)c2ccccc2SCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000759485179 1301101247 /nfs/dbraw/zinc/10/12/47/1301101247.db2.gz YUPRQBRLYYVKJL-HOCLYGCPSA-N 1 2 340.452 3.222 20 30 EGEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000759996684 1301206480 /nfs/dbraw/zinc/20/64/80/1301206480.db2.gz YKEYZCWXSBYVFU-UHFFFAOYSA-N 1 2 346.356 3.001 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C2)cc1Cl ZINC000761043993 1301388248 /nfs/dbraw/zinc/38/82/48/1301388248.db2.gz GLXAKAVHNRYUIW-SNVBAGLBSA-N 1 2 331.725 3.034 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C2)cc1Cl ZINC000761043993 1301388258 /nfs/dbraw/zinc/38/82/58/1301388258.db2.gz GLXAKAVHNRYUIW-SNVBAGLBSA-N 1 2 331.725 3.034 20 30 EGEDLO Cc1cc(Br)cn2c(/C=C\C(=O)c3ccnn3C)c[nH+]c12 ZINC000766036244 1302375094 /nfs/dbraw/zinc/37/50/94/1302375094.db2.gz GYVCXYJFVJZYKK-ARJAWSKDSA-N 1 2 345.200 3.035 20 30 EGEDLO C#CCOc1ccccc1C[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000768426925 1302899177 /nfs/dbraw/zinc/89/91/77/1302899177.db2.gz VSKDZHNWDXRYQI-HXUWFJFHSA-N 1 2 325.383 3.411 20 30 EGEDLO C#CCOc1ccccc1C[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000768426925 1302899184 /nfs/dbraw/zinc/89/91/84/1302899184.db2.gz VSKDZHNWDXRYQI-HXUWFJFHSA-N 1 2 325.383 3.411 20 30 EGEDLO C=CCC1(O)CCN(c2c(C(=O)OCC)c[nH+]c3ccccc32)CC1 ZINC000884723517 1302967031 /nfs/dbraw/zinc/96/70/31/1302967031.db2.gz OQVPCJVHVNYILJ-UHFFFAOYSA-N 1 2 340.423 3.319 20 30 EGEDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)C2 ZINC000769371937 1303099954 /nfs/dbraw/zinc/09/99/54/1303099954.db2.gz VCFIHMIJDFYVRT-CQSZACIVSA-N 1 2 336.391 3.280 20 30 EGEDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)C2 ZINC000769371937 1303099960 /nfs/dbraw/zinc/09/99/60/1303099960.db2.gz VCFIHMIJDFYVRT-CQSZACIVSA-N 1 2 336.391 3.280 20 30 EGEDLO C[C@@H]1C[NH+](Cc2cc(C#N)cs2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000769386635 1303103715 /nfs/dbraw/zinc/10/37/15/1303103715.db2.gz CQFYGEZMYZRFQE-CHWSQXEVSA-N 1 2 335.473 3.449 20 30 EGEDLO C#CCCOc1ccc(C[NH+]2CCN([C@H](C)C(F)(F)F)CC2)cc1 ZINC000769556166 1303141066 /nfs/dbraw/zinc/14/10/66/1303141066.db2.gz YNIBULWCSGWBDJ-OAHLLOKOSA-N 1 2 340.389 3.157 20 30 EGEDLO CC1(C)C(=O)Nc2ccc(C(=O)/C=C/c3cccc4[nH+]ccn43)cc21 ZINC000769608662 1303146638 /nfs/dbraw/zinc/14/66/38/1303146638.db2.gz FESXAOVENYSDJJ-VQHVLOKHSA-N 1 2 331.375 3.460 20 30 EGEDLO C#C[C@H](C)[N@H+](C)Cc1nnc(-c2ccc(Br)s2)o1 ZINC000769961013 1303198968 /nfs/dbraw/zinc/19/89/68/1303198968.db2.gz KVWNWBSXEPUPPO-QMMMGPOBSA-N 1 2 326.219 3.014 20 30 EGEDLO C#C[C@H](C)[N@@H+](C)Cc1nnc(-c2ccc(Br)s2)o1 ZINC000769961013 1303198972 /nfs/dbraw/zinc/19/89/72/1303198972.db2.gz KVWNWBSXEPUPPO-QMMMGPOBSA-N 1 2 326.219 3.014 20 30 EGEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(N2CCc3ccccc32)cc1 ZINC000769977221 1303201327 /nfs/dbraw/zinc/20/13/27/1303201327.db2.gz BFLRPBONCHKAGQ-INIZCTEOSA-N 1 2 333.435 3.273 20 30 EGEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(N2CCc3ccccc32)cc1 ZINC000769977221 1303201333 /nfs/dbraw/zinc/20/13/33/1303201333.db2.gz BFLRPBONCHKAGQ-INIZCTEOSA-N 1 2 333.435 3.273 20 30 EGEDLO Cc1c(C#N)cccc1NC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000770295616 1303245376 /nfs/dbraw/zinc/24/53/76/1303245376.db2.gz BETJPESPNURVIN-INIZCTEOSA-N 1 2 325.416 3.300 20 30 EGEDLO COc1ccc(C#N)cc1CO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000770693524 1303307818 /nfs/dbraw/zinc/30/78/18/1303307818.db2.gz VZOBSSXYYFDBPJ-UHFFFAOYSA-N 1 2 329.787 3.461 20 30 EGEDLO C#C[C@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)[C@@H]1CCCO1 ZINC000775571341 1303986059 /nfs/dbraw/zinc/98/60/59/1303986059.db2.gz FRQJASLFCPAMHO-IIMNLJJBSA-N 1 2 342.208 3.125 20 30 EGEDLO C#C[C@H]([NH2+]Cc1csc(Nc2ccc(C)cc2)n1)[C@H]1CCCO1 ZINC000775790675 1304038034 /nfs/dbraw/zinc/03/80/34/1304038034.db2.gz HXMYWKPZCZRUDH-DLBZAZTESA-N 1 2 327.453 3.466 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1csc(Nc2ccc(C)cc2)n1)[C@H]1CCCO1 ZINC000775790676 1304038721 /nfs/dbraw/zinc/03/87/21/1304038721.db2.gz HXMYWKPZCZRUDH-IAGOWNOFSA-N 1 2 327.453 3.466 20 30 EGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(C#N)ccc1F ZINC000888366703 1304134227 /nfs/dbraw/zinc/13/42/27/1304134227.db2.gz PALIRZVPYALOBO-UHFFFAOYSA-N 1 2 343.406 3.400 20 30 EGEDLO C#CCOc1ccccc1C[N@@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000779143324 1304534435 /nfs/dbraw/zinc/53/44/35/1304534435.db2.gz FVDSPFCQWYRJMQ-UHFFFAOYSA-N 1 2 343.430 3.443 20 30 EGEDLO C#CCOc1ccccc1C[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000779143324 1304534439 /nfs/dbraw/zinc/53/44/39/1304534439.db2.gz FVDSPFCQWYRJMQ-UHFFFAOYSA-N 1 2 343.430 3.443 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]C/C=C\c2ccccc2)[C@@H](C#N)C1 ZINC000779422495 1304569995 /nfs/dbraw/zinc/56/99/95/1304569995.db2.gz ORDKDMYYWZSGRZ-CJWPDFJNSA-N 1 2 327.428 3.048 20 30 EGEDLO Cc1ccc(C[N@H+](C)Cn2cc3c(c(C#N)c2=O)CCCC3)s1 ZINC000793490618 1309383365 /nfs/dbraw/zinc/38/33/65/1309383365.db2.gz LTZLHGJLVYPIDE-UHFFFAOYSA-N 1 2 327.453 3.058 20 30 EGEDLO Cc1ccc(C[N@@H+](C)Cn2cc3c(c(C#N)c2=O)CCCC3)s1 ZINC000793490618 1309383372 /nfs/dbraw/zinc/38/33/72/1309383372.db2.gz LTZLHGJLVYPIDE-UHFFFAOYSA-N 1 2 327.453 3.058 20 30 EGEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2cnn(-c3ccccc3)c2)s1 ZINC000794708337 1309579326 /nfs/dbraw/zinc/57/93/26/1309579326.db2.gz RZRDZEXUBYELAE-CMDGGOBGSA-N 1 2 338.436 3.287 20 30 EGEDLO C#CC[N@@H+](CC(=O)N(Cc1ccccc1)C1CC1)Cc1ccccc1 ZINC000796639110 1310054080 /nfs/dbraw/zinc/05/40/80/1310054080.db2.gz GSZZSDCQCDCUTF-UHFFFAOYSA-N 1 2 332.447 3.313 20 30 EGEDLO C#CC[N@H+](CC(=O)N(Cc1ccccc1)C1CC1)Cc1ccccc1 ZINC000796639110 1310054093 /nfs/dbraw/zinc/05/40/93/1310054093.db2.gz GSZZSDCQCDCUTF-UHFFFAOYSA-N 1 2 332.447 3.313 20 30 EGEDLO CN(c1ccccc1)c1ccc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)cn1 ZINC000797785952 1310246336 /nfs/dbraw/zinc/24/63/36/1310246336.db2.gz AFQJYWUPWROAKC-QZTJIDSGSA-N 1 2 348.454 3.043 20 30 EGEDLO Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1C#N ZINC000799366669 1310537446 /nfs/dbraw/zinc/53/74/46/1310537446.db2.gz PDKZSLSZOKKYBD-HNNXBMFYSA-N 1 2 339.464 3.447 20 30 EGEDLO N#Cc1cc(NC(=O)c2cccc3[nH+]ccn32)ccc1OC(F)(F)F ZINC000799446688 1310552734 /nfs/dbraw/zinc/55/27/34/1310552734.db2.gz XQOQRCSYXMEBFZ-UHFFFAOYSA-N 1 2 346.268 3.357 20 30 EGEDLO N#Cc1cc(Cl)cc(C[NH+]2CCN(c3cccc(O)c3)CC2)c1 ZINC000929240268 1328546267 /nfs/dbraw/zinc/54/62/67/1328546267.db2.gz UNQXPHULZHPDFX-UHFFFAOYSA-N 1 2 327.815 3.239 20 30 EGEDLO C#Cc1ccc(C(=O)N(CC)C2C[NH+](Cc3ccc(C)c(C)c3)C2)nc1 ZINC000957289847 1317262791 /nfs/dbraw/zinc/26/27/91/1317262791.db2.gz HHROYTSOUGZYRF-UHFFFAOYSA-N 1 2 347.462 3.026 20 30 EGEDLO COC(=O)c1ccc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)c(C)c1 ZINC000901569007 1317447585 /nfs/dbraw/zinc/44/75/85/1317447585.db2.gz HIDPVMRVHBQKBY-FPLPWBNLSA-N 1 2 344.436 3.196 20 30 EGEDLO C=CCOc1ccc(CNC(=O)Nc2ccc(C)[nH+]c2N(C)C)cc1 ZINC000806364534 1317483851 /nfs/dbraw/zinc/48/38/51/1317483851.db2.gz ZFSYCFBODANQTH-UHFFFAOYSA-N 1 2 340.427 3.343 20 30 EGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@H](C#N)C3)n2)C1 ZINC000902916763 1317630090 /nfs/dbraw/zinc/63/00/90/1317630090.db2.gz BXZMTOFAVLXCRW-ZIAGYGMSSA-N 1 2 347.488 3.142 20 30 EGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@H](C#N)C3)n2)C1 ZINC000902916763 1317630097 /nfs/dbraw/zinc/63/00/97/1317630097.db2.gz BXZMTOFAVLXCRW-ZIAGYGMSSA-N 1 2 347.488 3.142 20 30 EGEDLO O=C([C@H]1CCn2cc[nH+]c2C1)N(O)Cc1cc(Cl)cc(Cl)c1 ZINC000904180191 1317804838 /nfs/dbraw/zinc/80/48/38/1317804838.db2.gz IOFBNCLJWPJBRW-NSHDSACASA-N 1 2 340.210 3.170 20 30 EGEDLO Cc1noc([C@H]2CCCC[N@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)n1 ZINC000809718641 1317874816 /nfs/dbraw/zinc/87/48/16/1317874816.db2.gz MFSMCTFWDLWTJN-SUMWQHHRSA-N 1 2 326.400 3.396 20 30 EGEDLO Cc1noc([C@H]2CCCC[N@@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)n1 ZINC000809718641 1317874820 /nfs/dbraw/zinc/87/48/20/1317874820.db2.gz MFSMCTFWDLWTJN-SUMWQHHRSA-N 1 2 326.400 3.396 20 30 EGEDLO C#Cc1ccccc1CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000809943278 1317921550 /nfs/dbraw/zinc/92/15/50/1317921550.db2.gz BCYQTGVRHUYVQU-DHZHZOJOSA-N 1 2 344.458 3.068 20 30 EGEDLO N#Cc1cc(F)ccc1COC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000811328113 1318154810 /nfs/dbraw/zinc/15/48/10/1318154810.db2.gz ITZDHPIXCCCGQY-UHFFFAOYSA-N 1 2 349.365 3.228 20 30 EGEDLO CN(C)c1ncc(C=[NH+]Nc2ccnc3cc(Cl)ccc32)n1C ZINC000811629937 1318214982 /nfs/dbraw/zinc/21/49/82/1318214982.db2.gz MMCPTGGPCYPXGB-UHFFFAOYSA-N 1 2 328.807 3.134 20 30 EGEDLO C[C@@H]1C[C@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccccc1C#N ZINC000960290801 1318446898 /nfs/dbraw/zinc/44/68/98/1318446898.db2.gz HVLSDVFYEJZKOT-AVQSHMDHSA-N 1 2 345.446 3.086 20 30 EGEDLO CCN(Cc1ccccc1)c1ccc(C=[NH+]Nc2cnnn2C)cc1 ZINC000814980078 1318862950 /nfs/dbraw/zinc/86/29/50/1318862950.db2.gz YHEKVNFEKLWNBO-UHFFFAOYSA-N 1 2 334.427 3.288 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]2C[N@@H+](C)[C@H](C)c2ncc(C)o2)C1 ZINC000960846485 1318984418 /nfs/dbraw/zinc/98/44/18/1318984418.db2.gz LKFSUCMYHYIKTD-CVEARBPZSA-N 1 2 331.460 3.323 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]2C[N@H+](C)[C@H](C)c2ncc(C)o2)C1 ZINC000960846485 1318984431 /nfs/dbraw/zinc/98/44/31/1318984431.db2.gz LKFSUCMYHYIKTD-CVEARBPZSA-N 1 2 331.460 3.323 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2ncc(C)s2)C1 ZINC000960848556 1318986578 /nfs/dbraw/zinc/98/65/78/1318986578.db2.gz YVGMDWSZIRMHLZ-OAHLLOKOSA-N 1 2 333.501 3.231 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2ncc(C)s2)C1 ZINC000960848556 1318986587 /nfs/dbraw/zinc/98/65/87/1318986587.db2.gz YVGMDWSZIRMHLZ-OAHLLOKOSA-N 1 2 333.501 3.231 20 30 EGEDLO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2cnccc2N)ccc1OC ZINC000817917036 1319460652 /nfs/dbraw/zinc/46/06/52/1319460652.db2.gz DKUCBAGDRHHCOZ-HIFRSBDPSA-N 1 2 340.427 3.035 20 30 EGEDLO CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2c[nH+]ccc2N)ccc1OC ZINC000817917036 1319460655 /nfs/dbraw/zinc/46/06/55/1319460655.db2.gz DKUCBAGDRHHCOZ-HIFRSBDPSA-N 1 2 340.427 3.035 20 30 EGEDLO Cn1c(CC#N)nn(C[N@@H+]2CC(C)(C)C[C@H]2c2ccccc2)c1=S ZINC000819901066 1319796106 /nfs/dbraw/zinc/79/61/06/1319796106.db2.gz QNGWTKKOBDHHEZ-HNNXBMFYSA-N 1 2 341.484 3.448 20 30 EGEDLO Cn1c(CC#N)nn(C[N@H+]2CC(C)(C)C[C@H]2c2ccccc2)c1=S ZINC000819901066 1319796117 /nfs/dbraw/zinc/79/61/17/1319796117.db2.gz QNGWTKKOBDHHEZ-HNNXBMFYSA-N 1 2 341.484 3.448 20 30 EGEDLO Fc1ccccc1NC(=S)NN=C1CC[N@H+](Cc2ccccc2)C1 ZINC000839388045 1320911552 /nfs/dbraw/zinc/91/15/52/1320911552.db2.gz HTSNVLGFQJVSSJ-UHFFFAOYSA-N 1 2 342.443 3.374 20 30 EGEDLO Fc1ccccc1NC(=S)NN=C1CC[N@@H+](Cc2ccccc2)C1 ZINC000839388045 1320911556 /nfs/dbraw/zinc/91/15/56/1320911556.db2.gz HTSNVLGFQJVSSJ-UHFFFAOYSA-N 1 2 342.443 3.374 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC1(c2noc(C[NH+](CC)CC)n2)CCCC1 ZINC000930650391 1328925888 /nfs/dbraw/zinc/92/58/88/1328925888.db2.gz NIQAHMIYNLUYBZ-OAHLLOKOSA-N 1 2 348.491 3.399 20 30 EGEDLO C=C[C@H](C)ONC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000845619202 1321724065 /nfs/dbraw/zinc/72/40/65/1321724065.db2.gz DUUDMPKMWUZHIF-AWEZNQCLSA-N 1 2 348.834 3.254 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)O[C@H](C)CC(C)(C)C#N ZINC000851203769 1322353745 /nfs/dbraw/zinc/35/37/45/1322353745.db2.gz FAWRNIIHOWXVBV-SNVBAGLBSA-N 1 2 335.354 3.495 20 30 EGEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc(-c2cc(Br)cs2)no1 ZINC000852100105 1323145326 /nfs/dbraw/zinc/14/53/26/1323145326.db2.gz TXBZLBCOQGHXFH-ZDUSSCGKSA-N 1 2 340.246 3.452 20 30 EGEDLO Cc1cc(-n2c(C)cc(C(=O)C[N@@H+]3CCC[C@H](CC#N)C3)c2C)no1 ZINC000852319543 1323178857 /nfs/dbraw/zinc/17/88/57/1323178857.db2.gz OOGNYCJLYKGNDA-MRXNPFEDSA-N 1 2 340.427 3.199 20 30 EGEDLO Cc1cc(-n2c(C)cc(C(=O)C[N@H+]3CCC[C@H](CC#N)C3)c2C)no1 ZINC000852319543 1323178862 /nfs/dbraw/zinc/17/88/62/1323178862.db2.gz OOGNYCJLYKGNDA-MRXNPFEDSA-N 1 2 340.427 3.199 20 30 EGEDLO C[C@H](C#N)OCC[NH+]1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000852408968 1323188411 /nfs/dbraw/zinc/18/84/11/1323188411.db2.gz DQHRAIJARVUGLF-GFCCVEGCSA-N 1 2 328.243 3.044 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCO[C@H]1C(C)C ZINC001024445928 1323406342 /nfs/dbraw/zinc/40/63/42/1323406342.db2.gz YHJPTTORUVSMFV-IKGGRYGDSA-N 1 2 342.911 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCO[C@H]1C(C)C ZINC001024445928 1323406348 /nfs/dbraw/zinc/40/63/48/1323406348.db2.gz YHJPTTORUVSMFV-IKGGRYGDSA-N 1 2 342.911 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2c(cn1)CCCC2 ZINC001024540312 1323481325 /nfs/dbraw/zinc/48/13/25/1323481325.db2.gz BXQOZUCUMFFCCF-KRWDZBQOSA-N 1 2 347.890 3.297 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc2c(cn1)CCCC2 ZINC001024540312 1323481330 /nfs/dbraw/zinc/48/13/30/1323481330.db2.gz BXQOZUCUMFFCCF-KRWDZBQOSA-N 1 2 347.890 3.297 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccn(CC)n2)CC1 ZINC001024634135 1323560497 /nfs/dbraw/zinc/56/04/97/1323560497.db2.gz RGADTWQTKSBOQG-IBGZPJMESA-N 1 2 344.503 3.120 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccn(CC)n2)CC1 ZINC001024634135 1323560501 /nfs/dbraw/zinc/56/05/01/1323560501.db2.gz RGADTWQTKSBOQG-IBGZPJMESA-N 1 2 344.503 3.120 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2coc(C)n2)CC1 ZINC001024634780 1323560814 /nfs/dbraw/zinc/56/08/14/1323560814.db2.gz YLVYIIXXVOHYQU-SFHVURJKSA-N 1 2 331.460 3.200 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2coc(C)n2)CC1 ZINC001024634780 1323560818 /nfs/dbraw/zinc/56/08/18/1323560818.db2.gz YLVYIIXXVOHYQU-SFHVURJKSA-N 1 2 331.460 3.200 20 30 EGEDLO C#CCOc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(=C)Cl)cc1 ZINC001024695781 1323611667 /nfs/dbraw/zinc/61/16/67/1323611667.db2.gz WOTOBOMVXCVATB-KRWDZBQOSA-N 1 2 346.858 3.035 20 30 EGEDLO C#CCOc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=C)Cl)cc1 ZINC001024695781 1323611674 /nfs/dbraw/zinc/61/16/74/1323611674.db2.gz WOTOBOMVXCVATB-KRWDZBQOSA-N 1 2 346.858 3.035 20 30 EGEDLO OC1CCN(c2ccc(C=[NH+]Nc3cnnc4ccccc43)cc2)CC1 ZINC000853307301 1325078308 /nfs/dbraw/zinc/07/83/08/1325078308.db2.gz HIMZDIHLNXLKFO-UHFFFAOYSA-N 1 2 347.422 3.037 20 30 EGEDLO CCCCc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)cs1 ZINC001027330345 1325488504 /nfs/dbraw/zinc/48/85/04/1325488504.db2.gz NTPVTKJBKWJYKS-HOCLYGCPSA-N 1 2 348.516 3.068 20 30 EGEDLO CCCCc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)cs1 ZINC001027330345 1325488510 /nfs/dbraw/zinc/48/85/10/1325488510.db2.gz NTPVTKJBKWJYKS-HOCLYGCPSA-N 1 2 348.516 3.068 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2(C3CC3)CC2)C1 ZINC001027455476 1327694586 /nfs/dbraw/zinc/69/45/86/1327694586.db2.gz CUMNMRNZEMXVMV-CQSZACIVSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)C2(C3CC3)CC2)C1 ZINC001027455476 1327694592 /nfs/dbraw/zinc/69/45/92/1327694592.db2.gz CUMNMRNZEMXVMV-CQSZACIVSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)C(=C)C)C1 ZINC001027517730 1327788739 /nfs/dbraw/zinc/78/87/39/1327788739.db2.gz HIWSISNYAXHLJB-AWEZNQCLSA-N 1 2 343.309 3.420 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)C(=C)C)C1 ZINC001027517730 1327788743 /nfs/dbraw/zinc/78/87/43/1327788743.db2.gz HIWSISNYAXHLJB-AWEZNQCLSA-N 1 2 343.309 3.420 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)[C@H](C)c2nnc(CC)o2)C1 ZINC001027519427 1327789657 /nfs/dbraw/zinc/78/96/57/1327789657.db2.gz NANSPVPXORRONC-HUUCEWRRSA-N 1 2 348.491 3.218 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)[C@H](C)c2nnc(CC)o2)C1 ZINC001027519427 1327789661 /nfs/dbraw/zinc/78/96/61/1327789661.db2.gz NANSPVPXORRONC-HUUCEWRRSA-N 1 2 348.491 3.218 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([N@H+](C)CC(=C)Br)C1 ZINC001027521626 1327794226 /nfs/dbraw/zinc/79/42/26/1327794226.db2.gz HTRLCWMZOGGHPT-ZDUSSCGKSA-N 1 2 329.282 3.030 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)CC(=C)Br)C1 ZINC001027521626 1327794234 /nfs/dbraw/zinc/79/42/34/1327794234.db2.gz HTRLCWMZOGGHPT-ZDUSSCGKSA-N 1 2 329.282 3.030 20 30 EGEDLO C=CCOc1ccc(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000927098161 1327861036 /nfs/dbraw/zinc/86/10/36/1327861036.db2.gz DGOARYNYYXSJSN-UHFFFAOYSA-N 1 2 337.423 3.363 20 30 EGEDLO Cc1ccoc1C(=O)N[C@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@H]1C ZINC000965172782 1327905917 /nfs/dbraw/zinc/90/59/17/1327905917.db2.gz CKUTUIICYSYCGX-APWZRJJASA-N 1 2 336.435 3.080 20 30 EGEDLO Cc1ccoc1C(=O)N[C@H]1C[N@H+](CC#Cc2ccccc2)CC[C@H]1C ZINC000965172782 1327905920 /nfs/dbraw/zinc/90/59/20/1327905920.db2.gz CKUTUIICYSYCGX-APWZRJJASA-N 1 2 336.435 3.080 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001027644010 1328017329 /nfs/dbraw/zinc/01/73/29/1328017329.db2.gz UJTVQWIWVLTJRB-AWEZNQCLSA-N 1 2 338.883 3.130 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001027644010 1328017339 /nfs/dbraw/zinc/01/73/39/1328017339.db2.gz UJTVQWIWVLTJRB-AWEZNQCLSA-N 1 2 338.883 3.130 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1CNC(=O)c1sccc1F ZINC001027862665 1328323933 /nfs/dbraw/zinc/32/39/33/1328323933.db2.gz UFNGAKKBHGDJAO-OAHLLOKOSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1CNC(=O)c1sccc1F ZINC001027862665 1328323943 /nfs/dbraw/zinc/32/39/43/1328323943.db2.gz UFNGAKKBHGDJAO-OAHLLOKOSA-N 1 2 343.427 3.153 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C(C)C)nc2)C1 ZINC000966727055 1328394477 /nfs/dbraw/zinc/39/44/77/1328394477.db2.gz XIADJCFKARRMSY-CXAGYDPISA-N 1 2 335.879 3.398 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C(C)C)nc2)C1 ZINC000966727055 1328394483 /nfs/dbraw/zinc/39/44/83/1328394483.db2.gz XIADJCFKARRMSY-CXAGYDPISA-N 1 2 335.879 3.398 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccnn1C(CC)CC ZINC001027930336 1328407994 /nfs/dbraw/zinc/40/79/94/1328407994.db2.gz NUFFITHIQDSWKE-HNNXBMFYSA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccnn1C(CC)CC ZINC001027930336 1328407996 /nfs/dbraw/zinc/40/79/96/1328407996.db2.gz NUFFITHIQDSWKE-HNNXBMFYSA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001027965218 1328438212 /nfs/dbraw/zinc/43/82/12/1328438212.db2.gz UEUBIABZOATEHT-KBPBESRZSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001027965218 1328438214 /nfs/dbraw/zinc/43/82/14/1328438214.db2.gz UEUBIABZOATEHT-KBPBESRZSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc([C@H]2CCOC2)c1 ZINC001027979096 1328452985 /nfs/dbraw/zinc/45/29/85/1328452985.db2.gz UYSSJDRNFSGJEV-ZWKOTPCHSA-N 1 2 348.874 3.137 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc([C@H]2CCOC2)c1 ZINC001027979096 1328452995 /nfs/dbraw/zinc/45/29/95/1328452995.db2.gz UYSSJDRNFSGJEV-ZWKOTPCHSA-N 1 2 348.874 3.137 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1c(F)cc(C)cc1F ZINC001028018451 1328480942 /nfs/dbraw/zinc/48/09/42/1328480942.db2.gz UODDXHKBUDUQMV-GFCCVEGCSA-N 1 2 328.790 3.220 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c(F)cc(C)cc1F ZINC001028018451 1328480947 /nfs/dbraw/zinc/48/09/47/1328480947.db2.gz UODDXHKBUDUQMV-GFCCVEGCSA-N 1 2 328.790 3.220 20 30 EGEDLO N#Cc1ccsc1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000931845366 1329765920 /nfs/dbraw/zinc/76/59/20/1329765920.db2.gz FLCDTLHKBJRAFA-UHFFFAOYSA-N 1 2 341.440 3.327 20 30 EGEDLO C#CC[N@@H+](CC(=O)N(C)c1nccs1)[C@@H]1CCCc2ccccc21 ZINC000933421171 1329888481 /nfs/dbraw/zinc/88/84/81/1329888481.db2.gz DPWVIEKEXIONRB-QGZVFWFLSA-N 1 2 339.464 3.119 20 30 EGEDLO C#CC[N@H+](CC(=O)N(C)c1nccs1)[C@@H]1CCCc2ccccc21 ZINC000933421171 1329888483 /nfs/dbraw/zinc/88/84/83/1329888483.db2.gz DPWVIEKEXIONRB-QGZVFWFLSA-N 1 2 339.464 3.119 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C(C)=C2CCC2)C[C@@H]1C ZINC000947301122 1333082265 /nfs/dbraw/zinc/08/22/65/1333082265.db2.gz OFAZQZIBNUWEBE-SWLSCSKDSA-N 1 2 341.293 3.365 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C(C)=C2CCC2)C[C@@H]1C ZINC000947301122 1333082270 /nfs/dbraw/zinc/08/22/70/1333082270.db2.gz OFAZQZIBNUWEBE-SWLSCSKDSA-N 1 2 341.293 3.365 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2(F)CCCC2)C[C@H]1C ZINC000947464890 1333139243 /nfs/dbraw/zinc/13/92/43/1333139243.db2.gz XWRWNQUAUAPCCH-OLZOCXBDSA-N 1 2 347.272 3.146 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2(F)CCCC2)C[C@H]1C ZINC000947464890 1333139245 /nfs/dbraw/zinc/13/92/45/1333139245.db2.gz XWRWNQUAUAPCCH-OLZOCXBDSA-N 1 2 347.272 3.146 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ncc(CC)o3)[C@H](C)C2)CC1 ZINC000947689560 1333224352 /nfs/dbraw/zinc/22/43/52/1333224352.db2.gz LCLCHAQTVDEEDM-NVXWUHKLSA-N 1 2 345.487 3.453 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ncc(CC)o3)[C@H](C)C2)CC1 ZINC000947689560 1333224354 /nfs/dbraw/zinc/22/43/54/1333224354.db2.gz LCLCHAQTVDEEDM-NVXWUHKLSA-N 1 2 345.487 3.453 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccn(C(C)C)c1C ZINC000948951160 1333744735 /nfs/dbraw/zinc/74/47/35/1333744735.db2.gz SQOZQIBANUNNKB-OAQYLSRUSA-N 1 2 349.478 3.340 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccn(C(C)C)c1C ZINC000948951160 1333744740 /nfs/dbraw/zinc/74/47/40/1333744740.db2.gz SQOZQIBANUNNKB-OAQYLSRUSA-N 1 2 349.478 3.340 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCCC(F)(F)C1 ZINC000948958913 1333748470 /nfs/dbraw/zinc/74/84/70/1333748470.db2.gz RISDQQDFQFGJNC-SJLPKXTDSA-N 1 2 346.421 3.161 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCCC(F)(F)C1 ZINC000948958913 1333748473 /nfs/dbraw/zinc/74/84/73/1333748473.db2.gz RISDQQDFQFGJNC-SJLPKXTDSA-N 1 2 346.421 3.161 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(C=C)cc1 ZINC000948961925 1333748984 /nfs/dbraw/zinc/74/89/84/1333748984.db2.gz NKYSBPNUVBMUKG-NRFANRHFSA-N 1 2 330.431 3.292 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(C=C)cc1 ZINC000948961925 1333748987 /nfs/dbraw/zinc/74/89/87/1333748987.db2.gz NKYSBPNUVBMUKG-NRFANRHFSA-N 1 2 330.431 3.292 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cccn1C(C)C ZINC000948987305 1333761279 /nfs/dbraw/zinc/76/12/79/1333761279.db2.gz XBIVEPMQKQNWRZ-FQEVSTJZSA-N 1 2 335.451 3.031 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cccn1C(C)C ZINC000948987305 1333761281 /nfs/dbraw/zinc/76/12/81/1333761281.db2.gz XBIVEPMQKQNWRZ-FQEVSTJZSA-N 1 2 335.451 3.031 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000949631680 1333886052 /nfs/dbraw/zinc/88/60/52/1333886052.db2.gz MRPVDVHWKYCMPY-ZDUSSCGKSA-N 1 2 333.303 3.317 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000949631679 1333886109 /nfs/dbraw/zinc/88/61/09/1333886109.db2.gz MRPVDVHWKYCMPY-CYBMUJFWSA-N 1 2 333.303 3.317 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](CCOc2ccccc2C)CC1 ZINC000950050865 1334003217 /nfs/dbraw/zinc/00/32/17/1334003217.db2.gz BMOGXRHFWGYZNS-HXUWFJFHSA-N 1 2 330.472 3.120 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](CCOc2cc(C)ccc2C)CC1 ZINC000950051501 1334003341 /nfs/dbraw/zinc/00/33/41/1334003341.db2.gz NZCKJABUPSGOIM-OAQYLSRUSA-N 1 2 344.499 3.429 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCc3c2cccc3Cl)C1 ZINC000950894383 1334148571 /nfs/dbraw/zinc/14/85/71/1334148571.db2.gz OHTVKTLWEYZVIO-KRWDZBQOSA-N 1 2 332.875 3.479 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnc3ccsc3c2)C1 ZINC000967777452 1335814779 /nfs/dbraw/zinc/81/47/79/1335814779.db2.gz ISGRQLMHXOMLTK-ABAIWWIYSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnc3ccsc3c2)C1 ZINC000967777452 1335814783 /nfs/dbraw/zinc/81/47/83/1335814783.db2.gz ISGRQLMHXOMLTK-ABAIWWIYSA-N 1 2 349.887 3.489 20 30 EGEDLO Cc1coc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@H]2C)c1 ZINC000967892210 1335825425 /nfs/dbraw/zinc/82/54/25/1335825425.db2.gz CFYMCGOUCHDNHD-IEBWSBKVSA-N 1 2 336.435 3.080 20 30 EGEDLO Cc1coc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)CC[C@H]2C)c1 ZINC000967892210 1335825427 /nfs/dbraw/zinc/82/54/27/1335825427.db2.gz CFYMCGOUCHDNHD-IEBWSBKVSA-N 1 2 336.435 3.080 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC000968364862 1335904320 /nfs/dbraw/zinc/90/43/20/1335904320.db2.gz KSIRFZZFEGCPOK-SJCJKPOMSA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC000968364862 1335904324 /nfs/dbraw/zinc/90/43/24/1335904324.db2.gz KSIRFZZFEGCPOK-SJCJKPOMSA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc3sccc3[nH]2)C1 ZINC000968505817 1335945604 /nfs/dbraw/zinc/94/56/04/1335945604.db2.gz QWGQOSHLXVKSTF-QMTHXVAHSA-N 1 2 337.876 3.422 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc3sccc3[nH]2)C1 ZINC000968505817 1335945606 /nfs/dbraw/zinc/94/56/06/1335945606.db2.gz QWGQOSHLXVKSTF-QMTHXVAHSA-N 1 2 337.876 3.422 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC12CC2 ZINC000969044461 1336126072 /nfs/dbraw/zinc/12/60/72/1336126072.db2.gz QPZDWNAMMMNDJW-KBPBESRZSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC12CC2 ZINC000969044461 1336126073 /nfs/dbraw/zinc/12/60/73/1336126073.db2.gz QPZDWNAMMMNDJW-KBPBESRZSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1coc(CCC)n1 ZINC000969115555 1336149623 /nfs/dbraw/zinc/14/96/23/1336149623.db2.gz RBZODDAPFSQWDZ-CQSZACIVSA-N 1 2 339.867 3.354 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1coc(CCC)n1 ZINC000969115555 1336149625 /nfs/dbraw/zinc/14/96/25/1336149625.db2.gz RBZODDAPFSQWDZ-CQSZACIVSA-N 1 2 339.867 3.354 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnc3c(F)cccc3c2)C1 ZINC000970167992 1336287726 /nfs/dbraw/zinc/28/77/26/1336287726.db2.gz SHUPIDDGEIWSGB-LBPRGKRZSA-N 1 2 347.821 3.177 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H](C)C2C[NH+](Cc3ccc(Cl)nc3)C2)CC1 ZINC000970366268 1336298691 /nfs/dbraw/zinc/29/86/91/1336298691.db2.gz KGGLMEGPXQNUCP-AWEZNQCLSA-N 1 2 347.890 3.418 20 30 EGEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)c1ccoc1 ZINC001006734479 1336566633 /nfs/dbraw/zinc/56/66/33/1336566633.db2.gz DHBJBOYONCJKSM-SFHVURJKSA-N 1 2 342.826 3.179 20 30 EGEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)c1ccoc1 ZINC001006734479 1336566634 /nfs/dbraw/zinc/56/66/34/1336566634.db2.gz DHBJBOYONCJKSM-SFHVURJKSA-N 1 2 342.826 3.179 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)o1 ZINC001007057671 1336635684 /nfs/dbraw/zinc/63/56/84/1336635684.db2.gz OPJPXJHOMWUIOR-AWEZNQCLSA-N 1 2 343.452 3.224 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)o1 ZINC001007057671 1336635686 /nfs/dbraw/zinc/63/56/86/1336635686.db2.gz OPJPXJHOMWUIOR-AWEZNQCLSA-N 1 2 343.452 3.224 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001007610778 1336676962 /nfs/dbraw/zinc/67/69/62/1336676962.db2.gz QLJWZUJYLAJSBN-YLJYHZDGSA-N 1 2 337.467 3.385 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001007610778 1336676965 /nfs/dbraw/zinc/67/69/65/1336676965.db2.gz QLJWZUJYLAJSBN-YLJYHZDGSA-N 1 2 337.467 3.385 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001007860276 1336720052 /nfs/dbraw/zinc/72/00/52/1336720052.db2.gz SQPCXLWJECQLJR-AWEZNQCLSA-N 1 2 331.847 3.423 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001007860276 1336720055 /nfs/dbraw/zinc/72/00/55/1336720055.db2.gz SQPCXLWJECQLJR-AWEZNQCLSA-N 1 2 331.847 3.423 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001008088324 1336766475 /nfs/dbraw/zinc/76/64/75/1336766475.db2.gz LHIDUBYYRKPJBG-OAHLLOKOSA-N 1 2 331.847 3.423 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001008088324 1336766478 /nfs/dbraw/zinc/76/64/78/1336766478.db2.gz LHIDUBYYRKPJBG-OAHLLOKOSA-N 1 2 331.847 3.423 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001008258232 1336806422 /nfs/dbraw/zinc/80/64/22/1336806422.db2.gz SIVHDNKVAWMOFF-RBUKOAKNSA-N 1 2 342.458 3.194 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001008258232 1336806424 /nfs/dbraw/zinc/80/64/24/1336806424.db2.gz SIVHDNKVAWMOFF-RBUKOAKNSA-N 1 2 342.458 3.194 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001008835807 1336932299 /nfs/dbraw/zinc/93/22/99/1336932299.db2.gz RAVPWQTZMLAFPH-OKZBNKHCSA-N 1 2 332.875 3.432 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001008835807 1336932302 /nfs/dbraw/zinc/93/23/02/1336932302.db2.gz RAVPWQTZMLAFPH-OKZBNKHCSA-N 1 2 332.875 3.432 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2c[nH]c3cc(C)ccc23)C1 ZINC001008857840 1336933733 /nfs/dbraw/zinc/93/37/33/1336933733.db2.gz YIEXQGMFDNHGBA-INIZCTEOSA-N 1 2 345.874 3.352 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH]c3cc(C)ccc23)C1 ZINC001008857840 1336933735 /nfs/dbraw/zinc/93/37/35/1336933735.db2.gz YIEXQGMFDNHGBA-INIZCTEOSA-N 1 2 345.874 3.352 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(N3CCCC3)c2)C1 ZINC001008974274 1336950784 /nfs/dbraw/zinc/95/07/84/1336950784.db2.gz AMZOPQAPOMZISY-QGZVFWFLSA-N 1 2 347.890 3.234 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(N3CCCC3)c2)C1 ZINC001008974274 1336950786 /nfs/dbraw/zinc/95/07/86/1336950786.db2.gz AMZOPQAPOMZISY-QGZVFWFLSA-N 1 2 347.890 3.234 20 30 EGEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)c1ccccc1 ZINC001009946198 1337118520 /nfs/dbraw/zinc/11/85/20/1337118520.db2.gz CBMAVMBUQLSRLO-LJQANCHMSA-N 1 2 338.838 3.196 20 30 EGEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)c1ccccc1 ZINC001009946198 1337118522 /nfs/dbraw/zinc/11/85/22/1337118522.db2.gz CBMAVMBUQLSRLO-LJQANCHMSA-N 1 2 338.838 3.196 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(F)=C3CCCC3)C2)c(F)c1 ZINC001010569531 1337225279 /nfs/dbraw/zinc/22/52/79/1337225279.db2.gz ZYAYVBMPNWQGJZ-INIZCTEOSA-N 1 2 345.393 3.185 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(F)=C3CCCC3)C2)c(F)c1 ZINC001010569531 1337225280 /nfs/dbraw/zinc/22/52/80/1337225280.db2.gz ZYAYVBMPNWQGJZ-INIZCTEOSA-N 1 2 345.393 3.185 20 30 EGEDLO CC1=C(C)C[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC001014541753 1337815353 /nfs/dbraw/zinc/81/53/53/1337815353.db2.gz GOJHQQXASUTZAZ-YLJYHZDGSA-N 1 2 337.467 3.385 20 30 EGEDLO CC1=C(C)C[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC001014541753 1337815357 /nfs/dbraw/zinc/81/53/57/1337815357.db2.gz GOJHQQXASUTZAZ-YLJYHZDGSA-N 1 2 337.467 3.385 20 30 EGEDLO C[C@]1(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)CC=CCC1 ZINC001014565225 1337827094 /nfs/dbraw/zinc/82/70/94/1337827094.db2.gz SMJFWQIRPGICEH-FPOVZHCZSA-N 1 2 340.442 3.114 20 30 EGEDLO C[C@]1(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)CC=CCC1 ZINC001014565225 1337827097 /nfs/dbraw/zinc/82/70/97/1337827097.db2.gz SMJFWQIRPGICEH-FPOVZHCZSA-N 1 2 340.442 3.114 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC001014774129 1337906486 /nfs/dbraw/zinc/90/64/86/1337906486.db2.gz BRWXIJZZTLTHGF-KURKYZTESA-N 1 2 348.874 3.097 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC001014774129 1337906489 /nfs/dbraw/zinc/90/64/89/1337906489.db2.gz BRWXIJZZTLTHGF-KURKYZTESA-N 1 2 348.874 3.097 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C3CC3)[nH]c2C2CC2)C1 ZINC001014938175 1337959422 /nfs/dbraw/zinc/95/94/22/1337959422.db2.gz KUKWENHPIUGBHY-AWEZNQCLSA-N 1 2 333.863 3.326 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C3CC3)[nH]c2C2CC2)C1 ZINC001014938175 1337959427 /nfs/dbraw/zinc/95/94/27/1337959427.db2.gz KUKWENHPIUGBHY-AWEZNQCLSA-N 1 2 333.863 3.326 20 30 EGEDLO Cc1oc(C)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1C ZINC001015177944 1338042362 /nfs/dbraw/zinc/04/23/62/1338042362.db2.gz QFYXADMGWSGECI-GOSISDBHSA-N 1 2 337.423 3.081 20 30 EGEDLO Cc1oc(C)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1C ZINC001015177944 1338042364 /nfs/dbraw/zinc/04/23/64/1338042364.db2.gz QFYXADMGWSGECI-GOSISDBHSA-N 1 2 337.423 3.081 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC001015370720 1338114570 /nfs/dbraw/zinc/11/45/70/1338114570.db2.gz KHJGSOAYGYCPTK-VHDGCEQUSA-N 1 2 340.801 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC001015370720 1338114574 /nfs/dbraw/zinc/11/45/74/1338114574.db2.gz KHJGSOAYGYCPTK-VHDGCEQUSA-N 1 2 340.801 3.011 20 30 EGEDLO CC1(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)CCCCC1 ZINC001015650924 1338230328 /nfs/dbraw/zinc/23/03/28/1338230328.db2.gz YRWUGYJJNPGTRP-KRWDZBQOSA-N 1 2 343.446 3.358 20 30 EGEDLO CC1(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)CCCCC1 ZINC001015650924 1338230332 /nfs/dbraw/zinc/23/03/32/1338230332.db2.gz YRWUGYJJNPGTRP-KRWDZBQOSA-N 1 2 343.446 3.358 20 30 EGEDLO CC1(C)CC[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001015671304 1338248184 /nfs/dbraw/zinc/24/81/84/1338248184.db2.gz VTCNTNVUZVKALF-DOTOQJQBSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001015671304 1338248189 /nfs/dbraw/zinc/24/81/89/1338248189.db2.gz VTCNTNVUZVKALF-DOTOQJQBSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccc2O[C@@H](C)CC)C1 ZINC001015775114 1338305772 /nfs/dbraw/zinc/30/57/72/1338305772.db2.gz KUHTZSAEOMBWQA-GJZGRUSLSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2O[C@@H](C)CC)C1 ZINC001015775114 1338305775 /nfs/dbraw/zinc/30/57/75/1338305775.db2.gz KUHTZSAEOMBWQA-GJZGRUSLSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001015827963 1338328108 /nfs/dbraw/zinc/32/81/08/1338328108.db2.gz WYLMPIRBJSSCJK-OWCLPIDISA-N 1 2 339.266 3.387 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001015827963 1338328111 /nfs/dbraw/zinc/32/81/11/1338328111.db2.gz WYLMPIRBJSSCJK-OWCLPIDISA-N 1 2 339.266 3.387 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@]2(c3ccccc3)CC2(C)C)C1 ZINC001015894859 1338350840 /nfs/dbraw/zinc/35/08/40/1338350840.db2.gz XVZYAXJXWACIFG-APWZRJJASA-N 1 2 332.875 3.297 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@]2(c3ccccc3)CC2(C)C)C1 ZINC001015894859 1338350841 /nfs/dbraw/zinc/35/08/41/1338350841.db2.gz XVZYAXJXWACIFG-APWZRJJASA-N 1 2 332.875 3.297 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)c2cc3ccccc3o2)C1 ZINC001015966870 1338383033 /nfs/dbraw/zinc/38/30/33/1338383033.db2.gz RIJZESLKTFMIEE-DZGCQCFKSA-N 1 2 332.831 3.479 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)c2cc3ccccc3o2)C1 ZINC001015966870 1338383035 /nfs/dbraw/zinc/38/30/35/1338383035.db2.gz RIJZESLKTFMIEE-DZGCQCFKSA-N 1 2 332.831 3.479 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001016176839 1338492277 /nfs/dbraw/zinc/49/22/77/1338492277.db2.gz FDWOHTYALWMQLA-SFHVURJKSA-N 1 2 345.402 3.309 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001016176839 1338492280 /nfs/dbraw/zinc/49/22/80/1338492280.db2.gz FDWOHTYALWMQLA-SFHVURJKSA-N 1 2 345.402 3.309 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc3ccccc3c2)C1 ZINC001016208713 1338509145 /nfs/dbraw/zinc/50/91/45/1338509145.db2.gz NKCPHJZACWYIKK-GOSISDBHSA-N 1 2 328.843 3.325 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc3ccccc3c2)C1 ZINC001016208713 1338509148 /nfs/dbraw/zinc/50/91/48/1338509148.db2.gz NKCPHJZACWYIKK-GOSISDBHSA-N 1 2 328.843 3.325 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(c3cc(C)cc(C)c3)CC2)C1 ZINC001016271836 1338531582 /nfs/dbraw/zinc/53/15/82/1338531582.db2.gz IQSQYBPXRZBFNM-KRWDZBQOSA-N 1 2 332.875 3.278 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(c3cc(C)cc(C)c3)CC2)C1 ZINC001016271836 1338531585 /nfs/dbraw/zinc/53/15/85/1338531585.db2.gz IQSQYBPXRZBFNM-KRWDZBQOSA-N 1 2 332.875 3.278 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001016304858 1338540624 /nfs/dbraw/zinc/54/06/24/1338540624.db2.gz INCXAYHXCNQFOF-IPFXWSOASA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001016304858 1338540626 /nfs/dbraw/zinc/54/06/26/1338540626.db2.gz INCXAYHXCNQFOF-IPFXWSOASA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2coc3ccccc23)C1 ZINC001016401584 1338589559 /nfs/dbraw/zinc/58/95/59/1338589559.db2.gz HTZVHYRGVBQYKS-KRWDZBQOSA-N 1 2 345.402 3.309 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2coc3ccccc23)C1 ZINC001016401584 1338589560 /nfs/dbraw/zinc/58/95/60/1338589560.db2.gz HTZVHYRGVBQYKS-KRWDZBQOSA-N 1 2 345.402 3.309 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2coc3ccccc23)C1 ZINC001016401585 1338590496 /nfs/dbraw/zinc/59/04/96/1338590496.db2.gz HTZVHYRGVBQYKS-QGZVFWFLSA-N 1 2 345.402 3.309 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2coc3ccccc23)C1 ZINC001016401585 1338590502 /nfs/dbraw/zinc/59/05/02/1338590502.db2.gz HTZVHYRGVBQYKS-QGZVFWFLSA-N 1 2 345.402 3.309 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc2ccc(CC)cc12 ZINC001017555419 1339366731 /nfs/dbraw/zinc/36/67/31/1339366731.db2.gz MEHNINWSNXTLRZ-CALCHBBNSA-N 1 2 336.435 3.307 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc2ccc(CC)cc12 ZINC001017555419 1339366734 /nfs/dbraw/zinc/36/67/34/1339366734.db2.gz MEHNINWSNXTLRZ-CALCHBBNSA-N 1 2 336.435 3.307 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)c(Cl)c1F ZINC001017760505 1339413541 /nfs/dbraw/zinc/41/35/41/1339413541.db2.gz FWNQFBMPNBFCOK-OKILXGFUSA-N 1 2 334.822 3.100 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)c(Cl)c1F ZINC001017760505 1339413544 /nfs/dbraw/zinc/41/35/44/1339413544.db2.gz FWNQFBMPNBFCOK-OKILXGFUSA-N 1 2 334.822 3.100 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001028081797 1340414361 /nfs/dbraw/zinc/41/43/61/1340414361.db2.gz ZMDNASYTLJNLKF-KGLIPLIRSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001028081797 1340414362 /nfs/dbraw/zinc/41/43/62/1340414362.db2.gz ZMDNASYTLJNLKF-KGLIPLIRSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H](C)c2ncc(C)o2)CC1 ZINC001028117677 1340438541 /nfs/dbraw/zinc/43/85/41/1340438541.db2.gz RQTHUAHVROJBRT-RDJZCZTQSA-N 1 2 331.460 3.371 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H](C)c2ncc(C)o2)CC1 ZINC001028117677 1340438542 /nfs/dbraw/zinc/43/85/42/1340438542.db2.gz RQTHUAHVROJBRT-RDJZCZTQSA-N 1 2 331.460 3.371 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccccc1 ZINC001028196608 1340479439 /nfs/dbraw/zinc/47/94/39/1340479439.db2.gz ORZXCSYBHNISLH-KSZLIROESA-N 1 2 348.874 3.097 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccccc1 ZINC001028196608 1340479441 /nfs/dbraw/zinc/47/94/41/1340479441.db2.gz ORZXCSYBHNISLH-KSZLIROESA-N 1 2 348.874 3.097 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(OC)cc1Cl ZINC001028204579 1340483180 /nfs/dbraw/zinc/48/31/80/1340483180.db2.gz YOHLEDLKPDOZGB-LBPRGKRZSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(OC)cc1Cl ZINC001028204579 1340483182 /nfs/dbraw/zinc/48/31/82/1340483182.db2.gz YOHLEDLKPDOZGB-LBPRGKRZSA-N 1 2 343.254 3.295 20 30 EGEDLO O=C(C1CCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029184448 1340950157 /nfs/dbraw/zinc/95/01/57/1340950157.db2.gz SJBUZJKKMHKGNB-KDURUIRLSA-N 1 2 342.870 3.167 20 30 EGEDLO O=C(C1CCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029184448 1340950158 /nfs/dbraw/zinc/95/01/58/1340950158.db2.gz SJBUZJKKMHKGNB-KDURUIRLSA-N 1 2 342.870 3.167 20 30 EGEDLO O=C(C[C@@H]1C=CCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029206787 1340954629 /nfs/dbraw/zinc/95/46/29/1340954629.db2.gz XRXHIGJWRMJLMO-NJYVYQBISA-N 1 2 334.463 3.070 20 30 EGEDLO O=C(C[C@@H]1C=CCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029206787 1340954630 /nfs/dbraw/zinc/95/46/30/1340954630.db2.gz XRXHIGJWRMJLMO-NJYVYQBISA-N 1 2 334.463 3.070 20 30 EGEDLO CC[C@@]1(C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029534725 1341007074 /nfs/dbraw/zinc/00/70/74/1341007074.db2.gz PELSAKVTIZDZIQ-IIZPIQPGSA-N 1 2 336.479 3.150 20 30 EGEDLO CC[C@@]1(C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029534725 1341007075 /nfs/dbraw/zinc/00/70/75/1341007075.db2.gz PELSAKVTIZDZIQ-IIZPIQPGSA-N 1 2 336.479 3.150 20 30 EGEDLO C#Cc1ccc(C(=O)NC2C[NH+]([C@@H](CC)c3ccc(F)cc3)C2)cc1 ZINC001030775497 1341223548 /nfs/dbraw/zinc/22/35/48/1341223548.db2.gz NZYJKYMXPAYDRX-FQEVSTJZSA-N 1 2 336.410 3.372 20 30 EGEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)C3CCCCCC3)C2)c1 ZINC001031575806 1341371317 /nfs/dbraw/zinc/37/13/17/1341371317.db2.gz JEOFBADFCKKYKC-UHFFFAOYSA-N 1 2 343.446 3.216 20 30 EGEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1sccc1Cl ZINC001031691046 1341388600 /nfs/dbraw/zinc/38/86/00/1341388600.db2.gz OXKSCRMSVLTAMN-UHFFFAOYSA-N 1 2 344.867 3.115 20 30 EGEDLO Cc1scc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)c1C ZINC001031694579 1341389536 /nfs/dbraw/zinc/38/95/36/1341389536.db2.gz FHPBIULVKGXDCE-UHFFFAOYSA-N 1 2 345.493 3.160 20 30 EGEDLO Cc1cc(C)c(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)c(C)c1 ZINC001032174138 1341468832 /nfs/dbraw/zinc/46/88/32/1341468832.db2.gz LIHUNSFQQXSDHF-UHFFFAOYSA-N 1 2 347.462 3.345 20 30 EGEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cc(C)ccc2F)cc1 ZINC001032554898 1341538717 /nfs/dbraw/zinc/53/87/17/1341538717.db2.gz RDVRWKMBLKZJIK-PMACEKPBSA-N 1 2 348.421 3.214 20 30 EGEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cc(C)ccc2F)cc1 ZINC001032554898 1341538720 /nfs/dbraw/zinc/53/87/20/1341538720.db2.gz RDVRWKMBLKZJIK-PMACEKPBSA-N 1 2 348.421 3.214 20 30 EGEDLO CC1(C)CC(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC#Cc2ccccc2)C1 ZINC001032583754 1341549322 /nfs/dbraw/zinc/54/93/22/1341549322.db2.gz BZDKLVHHULGFCK-PMACEKPBSA-N 1 2 336.479 3.150 20 30 EGEDLO CC1(C)CC(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC#Cc2ccccc2)C1 ZINC001032583754 1341549324 /nfs/dbraw/zinc/54/93/24/1341549324.db2.gz BZDKLVHHULGFCK-PMACEKPBSA-N 1 2 336.479 3.150 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(Cl)cc2)C1 ZINC001032614135 1341559831 /nfs/dbraw/zinc/55/98/31/1341559831.db2.gz IDYATINAFFGTKM-IRXDYDNUSA-N 1 2 330.859 3.481 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(Cl)cc2)C1 ZINC001032614135 1341559832 /nfs/dbraw/zinc/55/98/32/1341559832.db2.gz IDYATINAFFGTKM-IRXDYDNUSA-N 1 2 330.859 3.481 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC3CCC2CC3)c1 ZINC001032806924 1341620636 /nfs/dbraw/zinc/62/06/36/1341620636.db2.gz VRJGOGNFDIUCNL-RIYHAROBSA-N 1 2 349.478 3.170 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC3CCC2CC3)c1 ZINC001032806924 1341620638 /nfs/dbraw/zinc/62/06/38/1341620638.db2.gz VRJGOGNFDIUCNL-RIYHAROBSA-N 1 2 349.478 3.170 20 30 EGEDLO CN(C(=O)C1CCCCC1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032869282 1341641733 /nfs/dbraw/zinc/64/17/33/1341641733.db2.gz HVEQIXHRGMUHMT-LJQANCHMSA-N 1 2 343.446 3.310 20 30 EGEDLO CN(C(=O)C1CCCCC1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032869282 1341641734 /nfs/dbraw/zinc/64/17/34/1341641734.db2.gz HVEQIXHRGMUHMT-LJQANCHMSA-N 1 2 343.446 3.310 20 30 EGEDLO CN(C(=O)c1cccs1)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001032876615 1341646927 /nfs/dbraw/zinc/64/69/27/1341646927.db2.gz PSCQDJDRFGHFEE-KRWDZBQOSA-N 1 2 342.439 3.085 20 30 EGEDLO CN(C(=O)c1cccs1)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001032876615 1341646929 /nfs/dbraw/zinc/64/69/29/1341646929.db2.gz PSCQDJDRFGHFEE-KRWDZBQOSA-N 1 2 342.439 3.085 20 30 EGEDLO CN(C(=O)C1(F)CCCC1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033214039 1341754351 /nfs/dbraw/zinc/75/43/51/1341754351.db2.gz KLYRAARUISBIMI-INIZCTEOSA-N 1 2 347.409 3.012 20 30 EGEDLO CN(C(=O)C1(F)CCCC1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033214039 1341754352 /nfs/dbraw/zinc/75/43/52/1341754352.db2.gz KLYRAARUISBIMI-INIZCTEOSA-N 1 2 347.409 3.012 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc([C@H]3CCOC3)c2)C1 ZINC001033214699 1341755139 /nfs/dbraw/zinc/75/51/39/1341755139.db2.gz PSANYDBPLIWPQE-ROUUACIJSA-N 1 2 348.874 3.089 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc([C@H]3CCOC3)c2)C1 ZINC001033214699 1341755141 /nfs/dbraw/zinc/75/51/41/1341755141.db2.gz PSANYDBPLIWPQE-ROUUACIJSA-N 1 2 348.874 3.089 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccnc3ccccc32)C1 ZINC001033239708 1341756771 /nfs/dbraw/zinc/75/67/71/1341756771.db2.gz DDKVMJQZRXXFMD-CQSZACIVSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccnc3ccccc32)C1 ZINC001033239708 1341756772 /nfs/dbraw/zinc/75/67/72/1341756772.db2.gz DDKVMJQZRXXFMD-CQSZACIVSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001033307519 1341775643 /nfs/dbraw/zinc/77/56/43/1341775643.db2.gz XNBIZYZGARKCMM-OAHLLOKOSA-N 1 2 331.847 3.375 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001033307519 1341775644 /nfs/dbraw/zinc/77/56/44/1341775644.db2.gz XNBIZYZGARKCMM-OAHLLOKOSA-N 1 2 331.847 3.375 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001033394504 1341811424 /nfs/dbraw/zinc/81/14/24/1341811424.db2.gz VZYCOVKDFJCUCZ-KBPBESRZSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001033394504 1341811425 /nfs/dbraw/zinc/81/14/25/1341811425.db2.gz VZYCOVKDFJCUCZ-KBPBESRZSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001033442932 1341825975 /nfs/dbraw/zinc/82/59/75/1341825975.db2.gz KIZWSWPKGLVCLY-NSHDSACASA-N 1 2 332.753 3.003 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001033442932 1341825976 /nfs/dbraw/zinc/82/59/76/1341825976.db2.gz KIZWSWPKGLVCLY-NSHDSACASA-N 1 2 332.753 3.003 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2cccc(Cl)c2F)C1 ZINC001033446858 1341827230 /nfs/dbraw/zinc/82/72/30/1341827230.db2.gz CQOQVVQZXOZRBT-CYBMUJFWSA-N 1 2 345.245 3.307 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cccc(Cl)c2F)C1 ZINC001033446858 1341827231 /nfs/dbraw/zinc/82/72/31/1341827231.db2.gz CQOQVVQZXOZRBT-CYBMUJFWSA-N 1 2 345.245 3.307 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC001033449574 1341829013 /nfs/dbraw/zinc/82/90/13/1341829013.db2.gz NMGCZQYAZTYAOA-CYBMUJFWSA-N 1 2 345.245 3.307 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC001033449574 1341829014 /nfs/dbraw/zinc/82/90/14/1341829014.db2.gz NMGCZQYAZTYAOA-CYBMUJFWSA-N 1 2 345.245 3.307 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc(-c3cnco3)c2)C1 ZINC001033551699 1341867676 /nfs/dbraw/zinc/86/76/76/1341867676.db2.gz OWNRAFAJKWWGGL-INIZCTEOSA-N 1 2 345.830 3.240 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(-c3cnco3)c2)C1 ZINC001033551699 1341867677 /nfs/dbraw/zinc/86/76/77/1341867677.db2.gz OWNRAFAJKWWGGL-INIZCTEOSA-N 1 2 345.830 3.240 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnc3ccc(F)cc3c2)C1 ZINC001033556201 1341870598 /nfs/dbraw/zinc/87/05/98/1341870598.db2.gz WXRPWBIQDYPZOK-MRXNPFEDSA-N 1 2 347.821 3.273 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc3ccc(F)cc3c2)C1 ZINC001033556201 1341870599 /nfs/dbraw/zinc/87/05/99/1341870599.db2.gz WXRPWBIQDYPZOK-MRXNPFEDSA-N 1 2 347.821 3.273 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)C2CCCC2)C1 ZINC001033574041 1341879613 /nfs/dbraw/zinc/87/96/13/1341879613.db2.gz LGHJDRRDLPXLJI-HIFRSBDPSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)C2CCCC2)C1 ZINC001033574041 1341879615 /nfs/dbraw/zinc/87/96/15/1341879615.db2.gz LGHJDRRDLPXLJI-HIFRSBDPSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C23CC(c4ccccc4)(C2)C3)C1 ZINC001033696638 1341962786 /nfs/dbraw/zinc/96/27/86/1341962786.db2.gz OFJSKCXCWRFELW-QHGAOEGBSA-N 1 2 344.886 3.394 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C23CC(c4ccccc4)(C2)C3)C1 ZINC001033696638 1341962789 /nfs/dbraw/zinc/96/27/89/1341962789.db2.gz OFJSKCXCWRFELW-QHGAOEGBSA-N 1 2 344.886 3.394 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc3c(o2)CCCC3)C1 ZINC001033853661 1342045397 /nfs/dbraw/zinc/04/53/97/1342045397.db2.gz IMKADFJMGOORQD-OAHLLOKOSA-N 1 2 336.863 3.447 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc3c(o2)CCCC3)C1 ZINC001033853661 1342045400 /nfs/dbraw/zinc/04/54/00/1342045400.db2.gz IMKADFJMGOORQD-OAHLLOKOSA-N 1 2 336.863 3.447 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(F)c(OC)c2)C1 ZINC001033962039 1342115417 /nfs/dbraw/zinc/11/54/17/1342115417.db2.gz PVYICYLKJSEQSA-CQSZACIVSA-N 1 2 340.826 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(F)c(OC)c2)C1 ZINC001033962039 1342115419 /nfs/dbraw/zinc/11/54/19/1342115419.db2.gz PVYICYLKJSEQSA-CQSZACIVSA-N 1 2 340.826 3.123 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)C[C@H]2C=CCC2)C1 ZINC001034089384 1342226436 /nfs/dbraw/zinc/22/64/36/1342226436.db2.gz CEGLNHQAYZORFC-GJZGRUSLSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)C[C@H]2C=CCC2)C1 ZINC001034089384 1342226440 /nfs/dbraw/zinc/22/64/40/1342226440.db2.gz CEGLNHQAYZORFC-GJZGRUSLSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccnn2[C@H](C)CC)C1 ZINC001034228630 1342333324 /nfs/dbraw/zinc/33/33/24/1342333324.db2.gz GSJHAIVDAGJZJW-CABCVRRESA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccnn2[C@H](C)CC)C1 ZINC001034228630 1342333325 /nfs/dbraw/zinc/33/33/25/1342333325.db2.gz GSJHAIVDAGJZJW-CABCVRRESA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001034350771 1342420959 /nfs/dbraw/zinc/42/09/59/1342420959.db2.gz KHPPZPDRZIHYQA-KGLIPLIRSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001034350771 1342420962 /nfs/dbraw/zinc/42/09/62/1342420962.db2.gz KHPPZPDRZIHYQA-KGLIPLIRSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001034356217 1342427699 /nfs/dbraw/zinc/42/76/99/1342427699.db2.gz QRMZLOAIUZUAFB-CQSZACIVSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001034356217 1342427702 /nfs/dbraw/zinc/42/77/02/1342427702.db2.gz QRMZLOAIUZUAFB-CQSZACIVSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2c(F)ccc(F)c2F)C1 ZINC001034372796 1342441818 /nfs/dbraw/zinc/44/18/18/1342441818.db2.gz OWGVRONINNRATA-LLVKDONJSA-N 1 2 346.780 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2c(F)ccc(F)c2F)C1 ZINC001034372796 1342441819 /nfs/dbraw/zinc/44/18/19/1342441819.db2.gz OWGVRONINNRATA-LLVKDONJSA-N 1 2 346.780 3.441 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038162051 1344307197 /nfs/dbraw/zinc/30/71/97/1344307197.db2.gz AJDHTOJCVMPWSD-BLLLJJGKSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038162051 1344307199 /nfs/dbraw/zinc/30/71/99/1344307199.db2.gz AJDHTOJCVMPWSD-BLLLJJGKSA-N 1 2 342.830 3.105 20 30 EGEDLO CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001038268543 1344349221 /nfs/dbraw/zinc/34/92/21/1344349221.db2.gz GZHIXHOHLZWTPX-JJRVBVJISA-N 1 2 345.512 3.383 20 30 EGEDLO CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001038268543 1344349224 /nfs/dbraw/zinc/34/92/24/1344349224.db2.gz GZHIXHOHLZWTPX-JJRVBVJISA-N 1 2 345.512 3.383 20 30 EGEDLO CC1=C(C)C[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CC#Cc2ccccc2)CC1 ZINC001038290294 1344361522 /nfs/dbraw/zinc/36/15/22/1344361522.db2.gz VGICYGBHJVSMFZ-LEWJYISDSA-N 1 2 336.479 3.365 20 30 EGEDLO CC1=C(C)C[C@@H](C(=O)NC[C@H]2CC[N@H+]2CC#Cc2ccccc2)CC1 ZINC001038290294 1344361526 /nfs/dbraw/zinc/36/15/26/1344361526.db2.gz VGICYGBHJVSMFZ-LEWJYISDSA-N 1 2 336.479 3.365 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2coc(C(F)F)c2)cc1 ZINC001038645646 1344519327 /nfs/dbraw/zinc/51/93/27/1344519327.db2.gz MZWWINOXZQTRBQ-OAHLLOKOSA-N 1 2 345.349 3.093 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2coc(C(F)F)c2)cc1 ZINC001038645646 1344519329 /nfs/dbraw/zinc/51/93/29/1344519329.db2.gz MZWWINOXZQTRBQ-OAHLLOKOSA-N 1 2 345.349 3.093 20 30 EGEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C1CCC(F)(F)CC1 ZINC001038739353 1344561815 /nfs/dbraw/zinc/56/18/15/1344561815.db2.gz KPQZCCJOILJDLJ-SFHVURJKSA-N 1 2 346.421 3.054 20 30 EGEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C1CCC(F)(F)CC1 ZINC001038739353 1344561820 /nfs/dbraw/zinc/56/18/20/1344561820.db2.gz KPQZCCJOILJDLJ-SFHVURJKSA-N 1 2 346.421 3.054 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)c(F)c2)CC1 ZINC001038929611 1344657879 /nfs/dbraw/zinc/65/78/79/1344657879.db2.gz JKIZZEKWZUZBJB-QGPMSJSTSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)c(F)c2)CC1 ZINC001038929611 1344657884 /nfs/dbraw/zinc/65/78/84/1344657884.db2.gz JKIZZEKWZUZBJB-QGPMSJSTSA-N 1 2 343.446 3.214 20 30 EGEDLO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)cc1C ZINC001038986760 1344699098 /nfs/dbraw/zinc/69/90/98/1344699098.db2.gz OWRCCALCKDFCLG-INIZCTEOSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)cc1C ZINC001038986760 1344699102 /nfs/dbraw/zinc/69/91/02/1344699102.db2.gz OWRCCALCKDFCLG-INIZCTEOSA-N 1 2 339.464 3.241 20 30 EGEDLO CC1(C)CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001039059718 1344742208 /nfs/dbraw/zinc/74/22/08/1344742208.db2.gz HIBLUFPKEAJPMZ-UXHICEINSA-N 1 2 338.495 3.445 20 30 EGEDLO CC1(C)CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001039059718 1344742214 /nfs/dbraw/zinc/74/22/14/1344742214.db2.gz HIBLUFPKEAJPMZ-UXHICEINSA-N 1 2 338.495 3.445 20 30 EGEDLO CC1(C)CCC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CC#Cc2ccccc2)C1 ZINC001039059075 1344742500 /nfs/dbraw/zinc/74/25/00/1344742500.db2.gz BFWBLPZLKNNZFM-WOJBJXKFSA-N 1 2 338.495 3.445 20 30 EGEDLO CC1(C)CCC[C@@H](C(=O)NC[C@H]2CC[N@H+]2CC#Cc2ccccc2)C1 ZINC001039059075 1344742506 /nfs/dbraw/zinc/74/25/06/1344742506.db2.gz BFWBLPZLKNNZFM-WOJBJXKFSA-N 1 2 338.495 3.445 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(C2CC2)c1 ZINC001039401535 1345047788 /nfs/dbraw/zinc/04/77/88/1345047788.db2.gz ILLOUAQJVCQQAN-SJORKVTESA-N 1 2 345.874 3.390 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(C2CC2)c1 ZINC001039401535 1345047790 /nfs/dbraw/zinc/04/77/90/1345047790.db2.gz ILLOUAQJVCQQAN-SJORKVTESA-N 1 2 345.874 3.390 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC(OCC)C1 ZINC001039423230 1345061200 /nfs/dbraw/zinc/06/12/00/1345061200.db2.gz IVNUFBPVJUIVPK-GMRIPVOYSA-N 1 2 340.895 3.009 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC(OCC)C1 ZINC001039423230 1345061205 /nfs/dbraw/zinc/06/12/05/1345061205.db2.gz IVNUFBPVJUIVPK-GMRIPVOYSA-N 1 2 340.895 3.009 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(CC)cn1 ZINC001039440450 1345067640 /nfs/dbraw/zinc/06/76/40/1345067640.db2.gz NZHHSRKQLZYOEE-MSOLQXFVSA-N 1 2 347.890 3.004 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(CC)cn1 ZINC001039440450 1345067643 /nfs/dbraw/zinc/06/76/43/1345067643.db2.gz NZHHSRKQLZYOEE-MSOLQXFVSA-N 1 2 347.890 3.004 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ocnc1C ZINC001039897111 1345239763 /nfs/dbraw/zinc/23/97/63/1345239763.db2.gz UQEPYVXVXUXEBG-JTDSTZFVSA-N 1 2 331.460 3.151 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ocnc1C ZINC001039897111 1345239765 /nfs/dbraw/zinc/23/97/65/1345239765.db2.gz UQEPYVXVXUXEBG-JTDSTZFVSA-N 1 2 331.460 3.151 20 30 EGEDLO C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001040216799 1345378678 /nfs/dbraw/zinc/37/86/78/1345378678.db2.gz QBAGDPLJLMIIAR-UKRRQHHQSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001040216799 1345378680 /nfs/dbraw/zinc/37/86/80/1345378680.db2.gz QBAGDPLJLMIIAR-UKRRQHHQSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001040216799 1345378682 /nfs/dbraw/zinc/37/86/82/1345378682.db2.gz QBAGDPLJLMIIAR-UKRRQHHQSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001040216799 1345378685 /nfs/dbraw/zinc/37/86/85/1345378685.db2.gz QBAGDPLJLMIIAR-UKRRQHHQSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@@H](CNc3cc[nH+]c(C)n3)[C@H](C)C2)C1 ZINC001040449143 1345506299 /nfs/dbraw/zinc/50/62/99/1345506299.db2.gz WDWCHLSTAZRYAY-ZBFHGGJFSA-N 1 2 328.460 3.038 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3sc(C)nc3C)C[C@@H]21 ZINC001042346700 1346048408 /nfs/dbraw/zinc/04/84/08/1346048408.db2.gz VNOPOWOBLCKEHK-KBPBESRZSA-N 1 2 339.892 3.049 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3sc(C)nc3C)C[C@@H]21 ZINC001042346700 1346048411 /nfs/dbraw/zinc/04/84/11/1346048411.db2.gz VNOPOWOBLCKEHK-KBPBESRZSA-N 1 2 339.892 3.049 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@@H](F)C2)CC1 ZINC001045539150 1346622679 /nfs/dbraw/zinc/62/26/79/1346622679.db2.gz SCRGIDAIXVBSET-QWHCGFSZSA-N 1 2 347.272 3.004 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC001045545069 1346625728 /nfs/dbraw/zinc/62/57/28/1346625728.db2.gz SHFWRTBYFYLQLF-ZIAGYGMSSA-N 1 2 343.309 3.302 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1CC=C(Cl)Cl ZINC001132038142 1375111564 /nfs/dbraw/zinc/11/15/64/1375111564.db2.gz OZGUYLLVJAYWOL-STQMWFEESA-N 1 2 331.287 3.324 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@H+]1CC=C(Cl)Cl ZINC001132038142 1375111569 /nfs/dbraw/zinc/11/15/69/1375111569.db2.gz OZGUYLLVJAYWOL-STQMWFEESA-N 1 2 331.287 3.324 20 30 EGEDLO C[C@@]1(NC(=O)c2ccco2)CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001046106697 1346846003 /nfs/dbraw/zinc/84/60/03/1346846003.db2.gz XNVUHIOIEDOGPC-LJQANCHMSA-N 1 2 342.826 3.179 20 30 EGEDLO C[C@@]1(NC(=O)c2ccco2)CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001046106697 1346846006 /nfs/dbraw/zinc/84/60/06/1346846006.db2.gz XNVUHIOIEDOGPC-LJQANCHMSA-N 1 2 342.826 3.179 20 30 EGEDLO C[C@@]1(NC(=O)c2occ3c2CCC3)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046512619 1347000637 /nfs/dbraw/zinc/00/06/37/1347000637.db2.gz IBXZBSLTLHRBJG-OAQYLSRUSA-N 1 2 349.434 3.034 20 30 EGEDLO C[C@@]1(NC(=O)c2occ3c2CCC3)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046512619 1347000639 /nfs/dbraw/zinc/00/06/39/1347000639.db2.gz IBXZBSLTLHRBJG-OAQYLSRUSA-N 1 2 349.434 3.034 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(F)c3ccncc23)C1 ZINC001046564180 1347019182 /nfs/dbraw/zinc/01/91/82/1347019182.db2.gz ATYUMCTYTHZXNL-SFHVURJKSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(F)c3ccncc23)C1 ZINC001046564180 1347019184 /nfs/dbraw/zinc/01/91/84/1347019184.db2.gz ATYUMCTYTHZXNL-SFHVURJKSA-N 1 2 347.821 3.321 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046605915 1347036155 /nfs/dbraw/zinc/03/61/55/1347036155.db2.gz YLPZTMAWJYZLIH-DJKXOVBDSA-N 1 2 343.446 3.214 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046605915 1347036157 /nfs/dbraw/zinc/03/61/57/1347036157.db2.gz YLPZTMAWJYZLIH-DJKXOVBDSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2[nH]c3ccccc3c2OC)C1 ZINC001046859800 1347133691 /nfs/dbraw/zinc/13/36/91/1347133691.db2.gz BOJUCXUYEHEKOB-SFHVURJKSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2[nH]c3ccccc3c2OC)C1 ZINC001046859800 1347133692 /nfs/dbraw/zinc/13/36/92/1347133692.db2.gz BOJUCXUYEHEKOB-SFHVURJKSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccsc2)C1 ZINC001046910614 1347149256 /nfs/dbraw/zinc/14/92/56/1347149256.db2.gz NWSHHUHWCCOQOV-GFCCVEGCSA-N 1 2 334.819 3.188 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccsc2)C1 ZINC001046910614 1347149259 /nfs/dbraw/zinc/14/92/59/1347149259.db2.gz NWSHHUHWCCOQOV-GFCCVEGCSA-N 1 2 334.819 3.188 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cccc(C)c2)C1 ZINC001046912837 1347151390 /nfs/dbraw/zinc/15/13/90/1347151390.db2.gz PYTKQANFLRKSOR-OAHLLOKOSA-N 1 2 342.817 3.435 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cccc(C)c2)C1 ZINC001046912837 1347151392 /nfs/dbraw/zinc/15/13/92/1347151392.db2.gz PYTKQANFLRKSOR-OAHLLOKOSA-N 1 2 342.817 3.435 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc3scnc32)C1 ZINC001079688147 1357348468 /nfs/dbraw/zinc/34/84/68/1357348468.db2.gz LFLCXEOJCWOGAK-ZWNOBZJWSA-N 1 2 335.860 3.099 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc3scnc32)C1 ZINC001079688147 1357348471 /nfs/dbraw/zinc/34/84/71/1357348471.db2.gz LFLCXEOJCWOGAK-ZWNOBZJWSA-N 1 2 335.860 3.099 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(=C)Br ZINC001049635885 1347946252 /nfs/dbraw/zinc/94/62/52/1347946252.db2.gz NKAAWRUJXJUMNP-KGLIPLIRSA-N 1 2 341.293 3.173 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(=C)Br ZINC001049635885 1347946253 /nfs/dbraw/zinc/94/62/53/1347946253.db2.gz NKAAWRUJXJUMNP-KGLIPLIRSA-N 1 2 341.293 3.173 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ncc(C2CC2)o1 ZINC001049635851 1347946352 /nfs/dbraw/zinc/94/63/52/1347946352.db2.gz MMMVLXPDLKVBFG-JKSUJKDBSA-N 1 2 343.471 3.330 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ncc(C2CC2)o1 ZINC001049635851 1347946355 /nfs/dbraw/zinc/94/63/55/1347946355.db2.gz MMMVLXPDLKVBFG-JKSUJKDBSA-N 1 2 343.471 3.330 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1nnc(C)s1 ZINC001049692633 1347974784 /nfs/dbraw/zinc/97/47/84/1347974784.db2.gz IBSPBKQFXBKRDK-HDMKZQKVSA-N 1 2 348.516 3.014 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1nnc(C)s1 ZINC001049692633 1347974785 /nfs/dbraw/zinc/97/47/85/1347974785.db2.gz IBSPBKQFXBKRDK-HDMKZQKVSA-N 1 2 348.516 3.014 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1nc(C2CC2)oc1C ZINC001049829342 1348043944 /nfs/dbraw/zinc/04/39/44/1348043944.db2.gz SPKZGWUCWFFUIC-GJZGRUSLSA-N 1 2 349.862 3.292 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1nc(C2CC2)oc1C ZINC001049829342 1348043947 /nfs/dbraw/zinc/04/39/47/1348043947.db2.gz SPKZGWUCWFFUIC-GJZGRUSLSA-N 1 2 349.862 3.292 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1coc(C2CCC2)n1 ZINC001049845723 1348055216 /nfs/dbraw/zinc/05/52/16/1348055216.db2.gz YYNUIKUXYCPLGN-HZPDHXFCSA-N 1 2 349.862 3.374 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1coc(C2CCC2)n1 ZINC001049845723 1348055218 /nfs/dbraw/zinc/05/52/18/1348055218.db2.gz YYNUIKUXYCPLGN-HZPDHXFCSA-N 1 2 349.862 3.374 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1scc(C)c1Cl ZINC001050935155 1348375093 /nfs/dbraw/zinc/37/50/93/1348375093.db2.gz WDEZRBGWEXYKLX-ZDUSSCGKSA-N 1 2 342.892 3.107 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1scc(C)c1Cl ZINC001050935155 1348375097 /nfs/dbraw/zinc/37/50/97/1348375097.db2.gz WDEZRBGWEXYKLX-ZDUSSCGKSA-N 1 2 342.892 3.107 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C2CC2)oc1C1CC1 ZINC001051030763 1348385148 /nfs/dbraw/zinc/38/51/48/1348385148.db2.gz FRMJOROPGCVZDN-INIZCTEOSA-N 1 2 344.455 3.041 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C2CC2)oc1C1CC1 ZINC001051030763 1348385151 /nfs/dbraw/zinc/38/51/51/1348385151.db2.gz FRMJOROPGCVZDN-INIZCTEOSA-N 1 2 344.455 3.041 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1csc3ccccc13)CCO2 ZINC001053364437 1349011648 /nfs/dbraw/zinc/01/16/48/1349011648.db2.gz DETVCODISGONMC-UHFFFAOYSA-N 1 2 342.464 3.004 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@]1(C)CCC(C)=C(C)C1)CCO2 ZINC001053546150 1349059873 /nfs/dbraw/zinc/05/98/73/1349059873.db2.gz JHFKJKJCYLOCGV-LJQANCHMSA-N 1 2 332.488 3.002 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCC=CCCC1)O2 ZINC001053614268 1349078263 /nfs/dbraw/zinc/07/82/63/1349078263.db2.gz IBYMJNISHSQHKM-QZTJIDSGSA-N 1 2 332.488 3.049 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2COC3(C[NH+]([C@H](C)c4ccccc4)C3)C2)C1 ZINC001053917109 1349123527 /nfs/dbraw/zinc/12/35/27/1349123527.db2.gz ZZRJIWPFCYUKKO-SJLPKXTDSA-N 1 2 340.467 3.063 20 30 EGEDLO C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1nc(Cl)cs1 ZINC001054050190 1349139438 /nfs/dbraw/zinc/13/94/38/1349139438.db2.gz UXNWLJBODIBRGX-CQSZACIVSA-N 1 2 347.871 3.139 20 30 EGEDLO C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1nc(Cl)cs1 ZINC001054050190 1349139440 /nfs/dbraw/zinc/13/94/40/1349139440.db2.gz UXNWLJBODIBRGX-CQSZACIVSA-N 1 2 347.871 3.139 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc(CCC)cc1 ZINC001054052460 1349139983 /nfs/dbraw/zinc/13/99/83/1349139983.db2.gz YAKQHNXZLPERHV-QFIPXVFZSA-N 1 2 346.474 3.429 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc(CCC)cc1 ZINC001054052460 1349139986 /nfs/dbraw/zinc/13/99/86/1349139986.db2.gz YAKQHNXZLPERHV-QFIPXVFZSA-N 1 2 346.474 3.429 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc(C=C)cc1 ZINC001054052628 1349140291 /nfs/dbraw/zinc/14/02/91/1349140291.db2.gz CJDMYZHLCBLEIL-OAQYLSRUSA-N 1 2 330.431 3.120 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc(C=C)cc1 ZINC001054052628 1349140294 /nfs/dbraw/zinc/14/02/94/1349140294.db2.gz CJDMYZHLCBLEIL-OAQYLSRUSA-N 1 2 330.431 3.120 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001054059062 1349141014 /nfs/dbraw/zinc/14/10/14/1349141014.db2.gz FLLLNEHPDUMDAI-OAQYLSRUSA-N 1 2 332.447 3.093 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001054059062 1349141016 /nfs/dbraw/zinc/14/10/16/1349141016.db2.gz FLLLNEHPDUMDAI-OAQYLSRUSA-N 1 2 332.447 3.093 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCc4ccccc4C3)cc2C1 ZINC001054283677 1349285383 /nfs/dbraw/zinc/28/53/83/1349285383.db2.gz NTERJFWGIYLVST-HXUWFJFHSA-N 1 2 344.458 3.057 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCc4ccccc4C3)cc2C1 ZINC001054283677 1349285385 /nfs/dbraw/zinc/28/53/85/1349285385.db2.gz NTERJFWGIYLVST-HXUWFJFHSA-N 1 2 344.458 3.057 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc4ccncc4c3)cc2C1 ZINC001054288069 1349290954 /nfs/dbraw/zinc/29/09/54/1349290954.db2.gz JHYNZAQEAOGLSS-UHFFFAOYSA-N 1 2 341.414 3.114 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc4ccncc4c3)cc2C1 ZINC001054288069 1349290956 /nfs/dbraw/zinc/29/09/56/1349290956.db2.gz JHYNZAQEAOGLSS-UHFFFAOYSA-N 1 2 341.414 3.114 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cccc4oc(C)nc43)cc2C1 ZINC001054292660 1349298189 /nfs/dbraw/zinc/29/81/89/1349298189.db2.gz QOIIUGSJHFZLAQ-UHFFFAOYSA-N 1 2 345.402 3.015 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cccc4oc(C)nc43)cc2C1 ZINC001054292660 1349298192 /nfs/dbraw/zinc/29/81/92/1349298192.db2.gz QOIIUGSJHFZLAQ-UHFFFAOYSA-N 1 2 345.402 3.015 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(CNc2cc[nH+]c(C)n2)C1 ZINC001055674830 1349687403 /nfs/dbraw/zinc/68/74/03/1349687403.db2.gz BPXHMSDQSKDEQO-JXFKEZNVSA-N 1 2 342.487 3.428 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001059052499 1350350686 /nfs/dbraw/zinc/35/06/86/1350350686.db2.gz KEAFSWANIQGCKS-MGPUTAFESA-N 1 2 342.487 3.279 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@H](Nc3cc(C)[nH+]c(C4CC4)n3)C2)C1 ZINC001059057643 1350354756 /nfs/dbraw/zinc/35/47/56/1350354756.db2.gz XCRNSEBCNLSTEK-HNNXBMFYSA-N 1 2 326.444 3.032 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)C2)CC1 ZINC001061714262 1351364597 /nfs/dbraw/zinc/36/45/97/1351364597.db2.gz LNGPQEKERXPZPK-QGZVFWFLSA-N 1 2 342.487 3.091 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(C1)CCCN(c1cc[nH+]c(C)n1)C2 ZINC001064564142 1352627064 /nfs/dbraw/zinc/62/70/64/1352627064.db2.gz OVKRFNXICWRNSS-FQEVSTJZSA-N 1 2 342.487 3.206 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@@H](Nc3cc[nH+]c(C)n3)C[C@H]2C)CC1 ZINC001064822768 1352702045 /nfs/dbraw/zinc/70/20/45/1352702045.db2.gz JFTVPOJQLIFICR-RHSMWYFYSA-N 1 2 328.460 3.323 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001064984199 1352721068 /nfs/dbraw/zinc/72/10/68/1352721068.db2.gz RRXIFSDTOOWHKZ-HNNXBMFYSA-N 1 2 328.460 3.278 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCCC[C@]2(CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001065180237 1352751506 /nfs/dbraw/zinc/75/15/06/1352751506.db2.gz LTGRNCCSKVMEMV-HXUWFJFHSA-N 1 2 342.487 3.206 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001066351572 1353058012 /nfs/dbraw/zinc/05/80/12/1353058012.db2.gz YPWPSCZYDWZHCZ-CQSZACIVSA-N 1 2 336.867 3.214 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC2(CC1)CCN(c1cc[nH+]c(C)n1)CC2 ZINC001067628609 1353469761 /nfs/dbraw/zinc/46/97/61/1353469761.db2.gz HMDCYXXUYGEKRB-UHFFFAOYSA-N 1 2 342.487 3.206 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC(CN(CC)c3cc[nH+]c(C)n3)CC2)C1 ZINC001067637939 1353477361 /nfs/dbraw/zinc/47/73/61/1353477361.db2.gz QXVAFSAIRXOHOZ-UHFFFAOYSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CC[C@H](CC)CC3)c2C1 ZINC001069881106 1354293071 /nfs/dbraw/zinc/29/30/71/1354293071.db2.gz MSJOBFBKNCOUJL-QAQDUYKDSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CC[C@H](CC)CC3)c2C1 ZINC001069881106 1354293076 /nfs/dbraw/zinc/29/30/76/1354293076.db2.gz MSJOBFBKNCOUJL-QAQDUYKDSA-N 1 2 344.503 3.107 20 30 EGEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2cc(F)ccc2s1 ZINC001085966795 1358924546 /nfs/dbraw/zinc/92/45/46/1358924546.db2.gz 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C=C(Br)C[N@H+]1C[C@@H](NC(=O)CC2CCC2)CC[C@H]1C ZINC001071398834 1354661383 /nfs/dbraw/zinc/66/13/83/1354661383.db2.gz KFLQLHQXZCGPKD-OCCSQVGLSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)CC2CCC2)CC[C@H]1C ZINC001071398834 1354661389 /nfs/dbraw/zinc/66/13/89/1354661389.db2.gz KFLQLHQXZCGPKD-OCCSQVGLSA-N 1 2 329.282 3.054 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C=C2CCC2)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC001071420182 1354684730 /nfs/dbraw/zinc/68/47/30/1354684730.db2.gz KLDONLGLPYFMHF-LIRRHRJNSA-N 1 2 341.430 3.277 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C=C2CCC2)C[N@H+]1Cc1cc(F)ccc1C#N ZINC001071420182 1354684734 /nfs/dbraw/zinc/68/47/34/1354684734.db2.gz KLDONLGLPYFMHF-LIRRHRJNSA-N 1 2 341.430 3.277 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C(C)(C)c2cc(C)ccn2)CC[C@@H]1C ZINC001071608054 1354792822 /nfs/dbraw/zinc/79/28/22/1354792822.db2.gz UZNADPBLEPZWBE-JKSUJKDBSA-N 1 2 349.906 3.389 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C(C)(C)c2cc(C)ccn2)CC[C@@H]1C ZINC001071608054 1354792826 /nfs/dbraw/zinc/79/28/26/1354792826.db2.gz UZNADPBLEPZWBE-JKSUJKDBSA-N 1 2 349.906 3.389 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)CC[C@H]1C ZINC001071637923 1354816930 /nfs/dbraw/zinc/81/69/30/1354816930.db2.gz AMCITXQVPAALMC-CHWSQXEVSA-N 1 2 338.883 3.042 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)CC[C@H]1C ZINC001071637923 1354816935 /nfs/dbraw/zinc/81/69/35/1354816935.db2.gz AMCITXQVPAALMC-CHWSQXEVSA-N 1 2 338.883 3.042 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)cc2F)CC[C@H]1C ZINC001071647731 1354825575 /nfs/dbraw/zinc/82/55/75/1354825575.db2.gz JIYXCSNGSJTZJN-OLZOCXBDSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc(OC)cc2F)CC[C@H]1C ZINC001071647731 1354825579 /nfs/dbraw/zinc/82/55/79/1354825579.db2.gz JIYXCSNGSJTZJN-OLZOCXBDSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccnc(C3CC3)c2)CC[C@@H]1C ZINC001071652910 1354827946 /nfs/dbraw/zinc/82/79/46/1354827946.db2.gz 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AOPFBCOHAMEOJJ-GXTWGEPZSA-N 1 2 347.846 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cccc3oc(C)nc32)CC[C@@H]1C ZINC001072109059 1355136171 /nfs/dbraw/zinc/13/61/71/1355136171.db2.gz AOPFBCOHAMEOJJ-GXTWGEPZSA-N 1 2 347.846 3.471 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1nnc(C)s1)C2 ZINC001072944809 1355512819 /nfs/dbraw/zinc/51/28/19/1355512819.db2.gz LSSGIBKGIYVUBL-DYVFJYSZSA-N 1 2 348.516 3.044 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1nnc(C)s1)C2 ZINC001072944809 1355512822 /nfs/dbraw/zinc/51/28/22/1355512822.db2.gz LSSGIBKGIYVUBL-DYVFJYSZSA-N 1 2 348.516 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2coc3ccccc23)C1 ZINC001073910814 1355951465 /nfs/dbraw/zinc/95/14/65/1355951465.db2.gz BAIMLVMMIUFTOV-AWEZNQCLSA-N 1 2 348.830 3.006 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2coc3ccccc23)C1 ZINC001073910814 1355951471 /nfs/dbraw/zinc/95/14/71/1355951471.db2.gz BAIMLVMMIUFTOV-AWEZNQCLSA-N 1 2 348.830 3.006 20 30 EGEDLO 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ZINC001074291086 1356156650 /nfs/dbraw/zinc/15/66/50/1356156650.db2.gz FBHJOCPJMBLEFA-RTBURBONSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@H]3OCC[N@H+](CC4=CCCCC4)[C@H]3C2)C1 ZINC001074333674 1356173404 /nfs/dbraw/zinc/17/34/04/1356173404.db2.gz GIRCDFAZTOTQNI-RBUKOAKNSA-N 1 2 344.499 3.145 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@H]3OCC[N@@H+](CC4=CCCCC4)[C@H]3C2)C1 ZINC001074333674 1356173407 /nfs/dbraw/zinc/17/34/07/1356173407.db2.gz GIRCDFAZTOTQNI-RBUKOAKNSA-N 1 2 344.499 3.145 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)C[C@@H]21 ZINC001074370579 1356187896 /nfs/dbraw/zinc/18/78/96/1356187896.db2.gz CHVSCQVQIPDUBE-LWYYNNOASA-N 1 2 348.531 3.327 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)C[C@@H]21 ZINC001074370579 1356187899 /nfs/dbraw/zinc/18/78/99/1356187899.db2.gz CHVSCQVQIPDUBE-LWYYNNOASA-N 1 2 348.531 3.327 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@H](CNc3cc[nH+]c(C)n3)C2)CCC1 ZINC001097382972 1362964114 /nfs/dbraw/zinc/96/41/14/1362964114.db2.gz ZHSSKBDMBIZVRC-MRXNPFEDSA-N 1 2 328.460 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(Cl)ccc3F)[C@@H]2C1 ZINC001076011237 1356466260 /nfs/dbraw/zinc/46/62/60/1356466260.db2.gz BXOFSFCFFNXHTK-XHDPSFHLSA-N 1 2 343.229 3.378 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(Cl)ccc3F)[C@@H]2C1 ZINC001076011237 1356466262 /nfs/dbraw/zinc/46/62/62/1356466262.db2.gz BXOFSFCFFNXHTK-XHDPSFHLSA-N 1 2 343.229 3.378 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc4ccsc4c3)[C@@H]2C1 ZINC001076129891 1356498594 /nfs/dbraw/zinc/49/85/94/1356498594.db2.gz LZILGQCICVRTMR-SWLSCSKDSA-N 1 2 347.871 3.195 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnc4ccsc4c3)[C@@H]2C1 ZINC001076129891 1356498596 /nfs/dbraw/zinc/49/85/96/1356498596.db2.gz LZILGQCICVRTMR-SWLSCSKDSA-N 1 2 347.871 3.195 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)OC3CCCC3)[C@@H]2C1 ZINC001076311477 1356545765 /nfs/dbraw/zinc/54/57/65/1356545765.db2.gz ATKMHDAMZXHUHW-UAGQMJEPSA-N 1 2 340.895 3.009 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)OC3CCCC3)[C@@H]2C1 ZINC001076311477 1356545770 /nfs/dbraw/zinc/54/57/70/1356545770.db2.gz ATKMHDAMZXHUHW-UAGQMJEPSA-N 1 2 340.895 3.009 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001081024804 1357785336 /nfs/dbraw/zinc/78/53/36/1357785336.db2.gz TYOUFWKYRLDTEJ-FUEDEBDSSA-N 1 2 339.266 3.169 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001081024804 1357785337 /nfs/dbraw/zinc/78/53/37/1357785337.db2.gz TYOUFWKYRLDTEJ-FUEDEBDSSA-N 1 2 339.266 3.169 20 30 EGEDLO CC1(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4cccc(Cl)c4)C[C@H]32)CC1 ZINC001084363573 1358199692 /nfs/dbraw/zinc/19/96/92/1358199692.db2.gz JZXVRSAZKFKMAI-SJLPKXTDSA-N 1 2 342.870 3.024 20 30 EGEDLO CC1(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4cccc(Cl)c4)C[C@H]32)CC1 ZINC001084363573 1358199695 /nfs/dbraw/zinc/19/96/95/1358199695.db2.gz JZXVRSAZKFKMAI-SJLPKXTDSA-N 1 2 342.870 3.024 20 30 EGEDLO CC1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)CCCC1 ZINC001084556255 1358237423 /nfs/dbraw/zinc/23/74/23/1358237423.db2.gz JFYNQBQHKWASNC-RTBURBONSA-N 1 2 337.467 3.171 20 30 EGEDLO CC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)CCCC1 ZINC001084556255 1358237426 /nfs/dbraw/zinc/23/74/26/1358237426.db2.gz JFYNQBQHKWASNC-RTBURBONSA-N 1 2 337.467 3.171 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(Cl)n3)C[C@H]21 ZINC001084574221 1358241708 /nfs/dbraw/zinc/24/17/08/1358241708.db2.gz VVIHIGAQSFNOED-GDBMZVCRSA-N 1 2 347.890 3.370 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(Cl)n3)C[C@H]21 ZINC001084574221 1358241711 /nfs/dbraw/zinc/24/17/11/1358241711.db2.gz VVIHIGAQSFNOED-GDBMZVCRSA-N 1 2 347.890 3.370 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c(C)cc(C)cc3C)[C@@H]2C1 ZINC001084628014 1358260212 /nfs/dbraw/zinc/26/02/12/1358260212.db2.gz RJMGCNABTNOZAC-IEBWSBKVSA-N 1 2 346.902 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c(C)cc(C)cc3C)[C@@H]2C1 ZINC001084628014 1358260215 /nfs/dbraw/zinc/26/02/15/1358260215.db2.gz RJMGCNABTNOZAC-IEBWSBKVSA-N 1 2 346.902 3.440 20 30 EGEDLO Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)s1 ZINC001085460635 1358514217 /nfs/dbraw/zinc/51/42/17/1358514217.db2.gz MMCFMNAGAHMBTD-KRWDZBQOSA-N 1 2 339.464 3.275 20 30 EGEDLO Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)s1 ZINC001085460635 1358514219 /nfs/dbraw/zinc/51/42/19/1358514219.db2.gz MMCFMNAGAHMBTD-KRWDZBQOSA-N 1 2 339.464 3.275 20 30 EGEDLO Cc1cc(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)c(C)o1 ZINC001085478108 1358530016 /nfs/dbraw/zinc/53/00/16/1358530016.db2.gz OXVIRDHSXMYTIO-CQSZACIVSA-N 1 2 343.452 3.176 20 30 EGEDLO Cc1cc(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)c(C)o1 ZINC001085478108 1358530019 /nfs/dbraw/zinc/53/00/19/1358530019.db2.gz OXVIRDHSXMYTIO-CQSZACIVSA-N 1 2 343.452 3.176 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1)C(=O)c1sccc1F ZINC001085576151 1358606959 /nfs/dbraw/zinc/60/69/59/1358606959.db2.gz MJQFRRDSIVIUNJ-OAHLLOKOSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1cccc(C#N)c1)C(=O)c1sccc1F ZINC001085576151 1358606962 /nfs/dbraw/zinc/60/69/62/1358606962.db2.gz MJQFRRDSIVIUNJ-OAHLLOKOSA-N 1 2 343.427 3.105 20 30 EGEDLO Cc1csc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)c1 ZINC001085585514 1358614761 /nfs/dbraw/zinc/61/47/61/1358614761.db2.gz BZJJWHNZTVGZLL-KRWDZBQOSA-N 1 2 339.464 3.275 20 30 EGEDLO Cc1csc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)c1 ZINC001085585514 1358614764 /nfs/dbraw/zinc/61/47/64/1358614764.db2.gz BZJJWHNZTVGZLL-KRWDZBQOSA-N 1 2 339.464 3.275 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1CCCC12CC2 ZINC001085668182 1358672944 /nfs/dbraw/zinc/67/29/44/1358672944.db2.gz XFOHMXTZWIVHCX-PMACEKPBSA-N 1 2 336.479 3.151 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1CCCC12CC2 ZINC001085668182 1358672948 /nfs/dbraw/zinc/67/29/48/1358672948.db2.gz XFOHMXTZWIVHCX-PMACEKPBSA-N 1 2 336.479 3.151 20 30 EGEDLO C=CCOc1ccccc1C(=O)N(C)C[C@H]1CC[N@@H+]1C/C=C\Cl ZINC001085678233 1358681359 /nfs/dbraw/zinc/68/13/59/1358681359.db2.gz DUQNWPTYJFUOMW-IZIDJEDMSA-N 1 2 334.847 3.150 20 30 EGEDLO C=CCOc1ccccc1C(=O)N(C)C[C@H]1CC[N@H+]1C/C=C\Cl ZINC001085678233 1358681364 /nfs/dbraw/zinc/68/13/64/1358681364.db2.gz DUQNWPTYJFUOMW-IZIDJEDMSA-N 1 2 334.847 3.150 20 30 EGEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2cc(Cl)ccc2o1 ZINC001085705424 1358696867 /nfs/dbraw/zinc/69/68/67/1358696867.db2.gz PTIYGWOXTQUDKL-HNNXBMFYSA-N 1 2 330.815 3.256 20 30 EGEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2cc(Cl)ccc2o1 ZINC001085705424 1358696874 /nfs/dbraw/zinc/69/68/74/1358696874.db2.gz PTIYGWOXTQUDKL-HNNXBMFYSA-N 1 2 330.815 3.256 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)N1CCC12CCCC2 ZINC001183829472 1387355358 /nfs/dbraw/zinc/35/53/58/1387355358.db2.gz VGWZODOEDJCXDR-IBGZPJMESA-N 1 2 337.467 3.458 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)N1CCC12CCCC2 ZINC001183829472 1387355362 /nfs/dbraw/zinc/35/53/62/1387355362.db2.gz VGWZODOEDJCXDR-IBGZPJMESA-N 1 2 337.467 3.458 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)C1CCC(F)CC1 ZINC001085801535 1358776937 /nfs/dbraw/zinc/77/69/37/1358776937.db2.gz VNQGIZIUPQQJHZ-XUJQIHCRSA-N 1 2 343.446 3.119 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)C1CCC(F)CC1 ZINC001085801535 1358776940 /nfs/dbraw/zinc/77/69/40/1358776940.db2.gz VNQGIZIUPQQJHZ-XUJQIHCRSA-N 1 2 343.446 3.119 20 30 EGEDLO Cc1cc(C(=O)N(C)C[C@H]2CC[N@@H+]2CC#Cc2ccccc2)cs1 ZINC001085874695 1358837791 /nfs/dbraw/zinc/83/77/91/1358837791.db2.gz HMXUUHKAVBNQRG-LJQANCHMSA-N 1 2 338.476 3.255 20 30 EGEDLO Cc1cc(C(=O)N(C)C[C@H]2CC[N@H+]2CC#Cc2ccccc2)cs1 ZINC001085874695 1358837793 /nfs/dbraw/zinc/83/77/93/1358837793.db2.gz HMXUUHKAVBNQRG-LJQANCHMSA-N 1 2 338.476 3.255 20 30 EGEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC001323451273 1387371751 /nfs/dbraw/zinc/37/17/51/1387371751.db2.gz DFUHJCVKFHLNTQ-SFHVURJKSA-N 1 2 340.496 3.476 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001086605114 1359162372 /nfs/dbraw/zinc/16/23/72/1359162372.db2.gz MHMXQGYDDJAMRP-BRIYLRKRSA-N 1 2 344.886 3.369 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001086605114 1359162373 /nfs/dbraw/zinc/16/23/73/1359162373.db2.gz MHMXQGYDDJAMRP-BRIYLRKRSA-N 1 2 344.886 3.369 20 30 EGEDLO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001087421600 1359458566 /nfs/dbraw/zinc/45/85/66/1359458566.db2.gz NCTTYUXUJLYXKY-HZPDHXFCSA-N 1 2 342.826 3.154 20 30 EGEDLO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001087421600 1359458568 /nfs/dbraw/zinc/45/85/68/1359458568.db2.gz NCTTYUXUJLYXKY-HZPDHXFCSA-N 1 2 342.826 3.154 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C2CC=CC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088503240 1359943653 /nfs/dbraw/zinc/94/36/53/1359943653.db2.gz XPGUYLVNVQQSHU-BEFAXECRSA-N 1 2 342.870 3.237 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C2CC=CC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088503240 1359943658 /nfs/dbraw/zinc/94/36/58/1359943658.db2.gz XPGUYLVNVQQSHU-BEFAXECRSA-N 1 2 342.870 3.237 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)CC2CCC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088507502 1359946104 /nfs/dbraw/zinc/94/61/04/1359946104.db2.gz WPWHOKHUWUPARB-BEFAXECRSA-N 1 2 344.886 3.461 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)CC2CCC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088507502 1359946107 /nfs/dbraw/zinc/94/61/07/1359946107.db2.gz WPWHOKHUWUPARB-BEFAXECRSA-N 1 2 344.886 3.461 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3nccc(C)c3c2)[C@H]1C ZINC001088592870 1359985544 /nfs/dbraw/zinc/98/55/44/1359985544.db2.gz BGGHCEAAJFLKJR-PBHICJAKSA-N 1 2 343.858 3.488 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3nccc(C)c3c2)[C@H]1C ZINC001088592870 1359985549 /nfs/dbraw/zinc/98/55/49/1359985549.db2.gz BGGHCEAAJFLKJR-PBHICJAKSA-N 1 2 343.858 3.488 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3ccccc3nc2C)[C@H]1C ZINC001088600901 1359988020 /nfs/dbraw/zinc/98/80/20/1359988020.db2.gz SLLYQMMGICQQSB-PBHICJAKSA-N 1 2 343.858 3.488 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3ccccc3nc2C)[C@H]1C ZINC001088600901 1359988025 /nfs/dbraw/zinc/98/80/25/1359988025.db2.gz SLLYQMMGICQQSB-PBHICJAKSA-N 1 2 343.858 3.488 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3ccccc32)[C@H]1C ZINC001088665065 1360007801 /nfs/dbraw/zinc/00/78/01/1360007801.db2.gz NEVHKMHXWKHNKW-OLMNPRSZSA-N 1 2 332.875 3.438 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3ccccc32)[C@H]1C ZINC001088665065 1360007805 /nfs/dbraw/zinc/00/78/05/1360007805.db2.gz NEVHKMHXWKHNKW-OLMNPRSZSA-N 1 2 332.875 3.438 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(-c3ccccc3)on2)[C@H]1C ZINC001088725876 1360022149 /nfs/dbraw/zinc/02/21/49/1360022149.db2.gz FEQSLNHOOCXGJO-HIFRSBDPSA-N 1 2 345.830 3.287 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(-c3ccccc3)on2)[C@H]1C ZINC001088725876 1360022150 /nfs/dbraw/zinc/02/21/50/1360022150.db2.gz FEQSLNHOOCXGJO-HIFRSBDPSA-N 1 2 345.830 3.287 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3ccncc3c2)[C@H]1C ZINC001088961171 1360117314 /nfs/dbraw/zinc/11/73/14/1360117314.db2.gz RDRVTPMENHZWST-DYVFJYSZSA-N 1 2 329.831 3.180 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3ccncc3c2)[C@H]1C ZINC001088961171 1360117315 /nfs/dbraw/zinc/11/73/15/1360117315.db2.gz RDRVTPMENHZWST-DYVFJYSZSA-N 1 2 329.831 3.180 20 30 EGEDLO Cc1cc(N[C@@H](C)C[C@@H](C)NC(=O)C#CC(C)C)nc(C2CC2)[nH+]1 ZINC001089308581 1360327998 /nfs/dbraw/zinc/32/79/98/1360327998.db2.gz INEOENQVNTYCLG-UONOGXRCSA-N 1 2 328.460 3.017 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ncccc1C ZINC001089622295 1360540082 /nfs/dbraw/zinc/54/00/82/1360540082.db2.gz FWUMHNXFZIPTFZ-OAHLLOKOSA-N 1 2 335.879 3.363 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ncccc1C ZINC001089622295 1360540085 /nfs/dbraw/zinc/54/00/85/1360540085.db2.gz FWUMHNXFZIPTFZ-OAHLLOKOSA-N 1 2 335.879 3.363 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1onc(C)c1C ZINC001089657075 1360568306 /nfs/dbraw/zinc/56/83/06/1360568306.db2.gz QOGZGJYOXCFMFL-CQSZACIVSA-N 1 2 339.867 3.264 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1onc(C)c1C ZINC001089657075 1360568310 /nfs/dbraw/zinc/56/83/10/1360568310.db2.gz QOGZGJYOXCFMFL-CQSZACIVSA-N 1 2 339.867 3.264 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC(=C)Cl)cn1 ZINC001089723813 1360627340 /nfs/dbraw/zinc/62/73/40/1360627340.db2.gz OVFIESZWTUGHQM-KRWDZBQOSA-N 1 2 345.874 3.036 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC(=C)Cl)cn1 ZINC001089723813 1360627345 /nfs/dbraw/zinc/62/73/45/1360627345.db2.gz OVFIESZWTUGHQM-KRWDZBQOSA-N 1 2 345.874 3.036 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H](CNc2cc[nH+]c(C)n2)[C@@H](C)C1 ZINC001090274753 1360882306 /nfs/dbraw/zinc/88/23/06/1360882306.db2.gz GDNLDAJDABCHKO-HOCLYGCPSA-N 1 2 330.476 3.284 20 30 EGEDLO CC#CCCCC(=O)N1CCC[C@H](C)[C@@H]1CCNc1cc[nH+]c(C)n1 ZINC001091660119 1361174505 /nfs/dbraw/zinc/17/45/05/1361174505.db2.gz NYZRQUQJEAXBKN-WMZOPIPTSA-N 1 2 342.487 3.408 20 30 EGEDLO C#CCCCC(=O)N1CCCC[C@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001092072760 1361288884 /nfs/dbraw/zinc/28/88/84/1361288884.db2.gz DZOWULWECBZUJJ-SFHVURJKSA-N 1 2 342.487 3.023 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)CC(C)(C)C3CC3)CC2)C1 ZINC001093533493 1361636550 /nfs/dbraw/zinc/63/65/50/1361636550.db2.gz OONNJKCKYVNFPM-UHFFFAOYSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@]3(C)CCC[C@@H]3CC)CC2)C1 ZINC001093546540 1361639405 /nfs/dbraw/zinc/63/94/05/1361639405.db2.gz OIFLZEOJFAUMKO-UWJYYQICSA-N 1 2 348.531 3.471 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC001093565161 1361643845 /nfs/dbraw/zinc/64/38/45/1361643845.db2.gz JUQNRLNGMZLOIZ-DLBZAZTESA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCCC[C@H]3C)CC2)C1 ZINC001093564933 1361644137 /nfs/dbraw/zinc/64/41/37/1361644137.db2.gz FIPPXJRTOWXCRL-VQIMIIECSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C3(C)CCCCC3)CC2)C1 ZINC001093569175 1361645293 /nfs/dbraw/zinc/64/52/93/1361645293.db2.gz WDEZZWKLLXYJKQ-UHFFFAOYSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3C[C@@]3(CC)C(C)C)CC2)C1 ZINC001093587291 1361649643 /nfs/dbraw/zinc/64/96/43/1361649643.db2.gz QOHQCPHMMVBPBE-FPOVZHCZSA-N 1 2 348.531 3.327 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CCCC[C@@H]3CC)CC2)C1 ZINC001093587470 1361649697 /nfs/dbraw/zinc/64/96/97/1361649697.db2.gz RZDWFOPVSZOWAJ-PXNSSMCTSA-N 1 2 348.531 3.471 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H](C)c3ccc(C)s3)CC2)C1 ZINC001093590185 1361651176 /nfs/dbraw/zinc/65/11/76/1361651176.db2.gz HIQSKUSQNVKMIW-HNNXBMFYSA-N 1 2 348.512 3.038 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3sccc3C3CC3)CC2)C1 ZINC001093595385 1361652513 /nfs/dbraw/zinc/65/25/13/1361652513.db2.gz AKHIKPIYGPYREZ-UHFFFAOYSA-N 1 2 346.496 3.117 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCCC(C)(C)C3)CC2)C1 ZINC001093600506 1361654930 /nfs/dbraw/zinc/65/49/30/1361654930.db2.gz ZJCCAJBPDZVHNR-QGZVFWFLSA-N 1 2 348.531 3.471 20 30 EGEDLO CC(C)C#CC(=O)NCCCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001094398311 1361786550 /nfs/dbraw/zinc/78/65/50/1361786550.db2.gz UOJDXVGENLKAIG-UHFFFAOYSA-N 1 2 330.476 3.301 20 30 EGEDLO C=C(C)[C@H](CC(=O)NCCCCCCNc1cc[nH+]c(C)n1)OCC ZINC001094977708 1361972525 /nfs/dbraw/zinc/97/25/25/1361972525.db2.gz VFMDVILJQBUUSD-KRWDZBQOSA-N 1 2 348.491 3.245 20 30 EGEDLO Cc1cc(NC2CCN(C(=O)C#CC(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001095226397 1362058721 /nfs/dbraw/zinc/05/87/21/1362058721.db2.gz HOPCZDCNZGSGPZ-UHFFFAOYSA-N 1 2 342.487 3.361 20 30 EGEDLO C#CCC1(C(=O)N2CCC(Nc3cc[nH+]c(C)n3)CC2)CCCCC1 ZINC001095230824 1362059880 /nfs/dbraw/zinc/05/98/80/1362059880.db2.gz MNXOOOZZJHSHTN-UHFFFAOYSA-N 1 2 340.471 3.162 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001095712004 1362209086 /nfs/dbraw/zinc/20/90/86/1362209086.db2.gz BPBGMMHRSMTTOQ-CABCVRRESA-N 1 2 344.503 3.065 20 30 EGEDLO Cc1nc(NC2(CNC(=O)C#CC(C)(C)C)CCCCCC2)cc[nH+]1 ZINC001095809388 1362239908 /nfs/dbraw/zinc/23/99/08/1362239908.db2.gz DNDJTLSGHLBUHJ-UHFFFAOYSA-N 1 2 342.487 3.456 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C3CC3)no2)C1 ZINC001095984161 1362322468 /nfs/dbraw/zinc/32/24/68/1362322468.db2.gz DFKNLEDWZBEPBD-JLSDUUJJSA-N 1 2 341.455 3.130 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C3CC3)no2)C1 ZINC001095984161 1362322473 /nfs/dbraw/zinc/32/24/73/1362322473.db2.gz DFKNLEDWZBEPBD-JLSDUUJJSA-N 1 2 341.455 3.130 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)c1cc(C)oc1C)C2 ZINC001096179211 1362417596 /nfs/dbraw/zinc/41/75/96/1362417596.db2.gz YPYOQPJGPQKFHS-YVVXQTMVSA-N 1 2 336.863 3.474 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)c1cc(C)oc1C)C2 ZINC001096179211 1362417599 /nfs/dbraw/zinc/41/75/99/1362417599.db2.gz YPYOQPJGPQKFHS-YVVXQTMVSA-N 1 2 336.863 3.474 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001096220013 1362437542 /nfs/dbraw/zinc/43/75/42/1362437542.db2.gz BZGKCWDHHAGBTF-DYVFJYSZSA-N 1 2 330.476 3.089 20 30 EGEDLO C=CC1(CC(=O)N[C@@H]2CCN(c3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001096400202 1362489704 /nfs/dbraw/zinc/48/97/04/1362489704.db2.gz UOPDABLLWSJLPH-MRXNPFEDSA-N 1 2 328.460 3.007 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CCN(c3cc(C)[nH+]c(C(C)C)n3)C2)CCC1 ZINC001096480252 1362530725 /nfs/dbraw/zinc/53/07/25/1362530725.db2.gz RHCLWAPKQOQVGF-MRXNPFEDSA-N 1 2 342.487 3.350 20 30 EGEDLO CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(Cl)cc2)CC1 ZINC001097118576 1362849146 /nfs/dbraw/zinc/84/91/46/1362849146.db2.gz GJYBJUNKDHUXRV-KURKYZTESA-N 1 2 342.870 3.213 20 30 EGEDLO CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(Cl)cc2)CC1 ZINC001097118576 1362849148 /nfs/dbraw/zinc/84/91/48/1362849148.db2.gz GJYBJUNKDHUXRV-KURKYZTESA-N 1 2 342.870 3.213 20 30 EGEDLO CCCCCCCCOCC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097260754 1362905442 /nfs/dbraw/zinc/90/54/42/1362905442.db2.gz LVJKSRUTRDPAKE-CALCHBBNSA-N 1 2 348.491 3.221 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@@H](CNc3cc[nH+]c(C)n3)C2)CCC1 ZINC001097382971 1362963600 /nfs/dbraw/zinc/96/36/00/1362963600.db2.gz ZHSSKBDMBIZVRC-INIZCTEOSA-N 1 2 328.460 3.182 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc(C)c(C)s2)C1 ZINC001097805402 1363125250 /nfs/dbraw/zinc/12/52/50/1363125250.db2.gz NLQBRNWHYUTJGA-OAGGEKHMSA-N 1 2 345.512 3.338 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc(C)c(C)s2)C1 ZINC001097805402 1363125261 /nfs/dbraw/zinc/12/52/61/1363125261.db2.gz NLQBRNWHYUTJGA-OAGGEKHMSA-N 1 2 345.512 3.338 20 30 EGEDLO C=CC[C@@H](Cc1ccccc1)C(=O)NC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001097881549 1363148394 /nfs/dbraw/zinc/14/83/94/1363148394.db2.gz KMJVGSRKLIZPOW-YJBOKZPZSA-N 1 2 338.455 3.137 20 30 EGEDLO C=CCO[C@H](C)C(=O)NC[C@H](C)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001097918927 1363166765 /nfs/dbraw/zinc/16/67/65/1363166765.db2.gz CKVHDTHSQCYNSF-LSDHHAIUSA-N 1 2 348.491 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3ccncc31)C2 ZINC001098132809 1363230150 /nfs/dbraw/zinc/23/01/50/1363230150.db2.gz AOWIHFGBHMWXCT-OLMNPRSZSA-N 1 2 341.842 3.322 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3ccncc31)C2 ZINC001098132809 1363230153 /nfs/dbraw/zinc/23/01/53/1363230153.db2.gz AOWIHFGBHMWXCT-OLMNPRSZSA-N 1 2 341.842 3.322 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(Cl)cc1)C2 ZINC001098262971 1363277768 /nfs/dbraw/zinc/27/77/68/1363277768.db2.gz KQFREEWYXHAGAR-KFWWJZLASA-N 1 2 325.239 3.428 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(Cl)cc1)C2 ZINC001098262971 1363277771 /nfs/dbraw/zinc/27/77/71/1363277771.db2.gz KQFREEWYXHAGAR-KFWWJZLASA-N 1 2 325.239 3.428 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H](N(C)c2nc(C)[nH+]c3c2CCCC3)C1 ZINC001098675041 1363430575 /nfs/dbraw/zinc/43/05/75/1363430575.db2.gz IIOKWWICXOSFMO-INIZCTEOSA-N 1 2 342.487 3.057 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1cccc(Cl)n1 ZINC001098975632 1363550611 /nfs/dbraw/zinc/55/06/11/1363550611.db2.gz KHYOJLQNKJIMTM-UKRRQHHQSA-N 1 2 348.878 3.001 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1cccc(Cl)n1 ZINC001098975632 1363550614 /nfs/dbraw/zinc/55/06/14/1363550614.db2.gz KHYOJLQNKJIMTM-UKRRQHHQSA-N 1 2 348.878 3.001 20 30 EGEDLO C#CCCCCC(=O)NCC[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001099027071 1363582596 /nfs/dbraw/zinc/58/25/96/1363582596.db2.gz MRYZCNMGGROMNP-HNNXBMFYSA-N 1 2 342.487 3.164 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccon1 ZINC001099170810 1363669489 /nfs/dbraw/zinc/66/94/89/1363669489.db2.gz KQGVHYYLQQVRIB-MRXNPFEDSA-N 1 2 333.476 3.384 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccon1 ZINC001099170810 1363669492 /nfs/dbraw/zinc/66/94/92/1363669492.db2.gz KQGVHYYLQQVRIB-MRXNPFEDSA-N 1 2 333.476 3.384 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ccon1 ZINC001099171856 1363670139 /nfs/dbraw/zinc/67/01/39/1363670139.db2.gz VJXXFTJKOVOUFO-SFHVURJKSA-N 1 2 345.487 3.365 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ccon1 ZINC001099171856 1363670141 /nfs/dbraw/zinc/67/01/41/1363670141.db2.gz VJXXFTJKOVOUFO-SFHVURJKSA-N 1 2 345.487 3.365 20 30 EGEDLO C=C(Br)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCF ZINC001099183541 1363678991 /nfs/dbraw/zinc/67/89/91/1363678991.db2.gz VPLCBHCSMQCSIW-ZDUSSCGKSA-N 1 2 349.288 3.252 20 30 EGEDLO C=C(Br)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCF ZINC001099183541 1363678994 /nfs/dbraw/zinc/67/89/94/1363678994.db2.gz VPLCBHCSMQCSIW-ZDUSSCGKSA-N 1 2 349.288 3.252 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2Cc2coc(C)n2)C1 ZINC001099230213 1363704163 /nfs/dbraw/zinc/70/41/63/1363704163.db2.gz QUJYQKFYJOJOIP-KRWDZBQOSA-N 1 2 345.487 3.446 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2Cc2coc(C)n2)C1 ZINC001099230213 1363704166 /nfs/dbraw/zinc/70/41/66/1363704166.db2.gz QUJYQKFYJOJOIP-KRWDZBQOSA-N 1 2 345.487 3.446 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2Cc2nocc2C)C1 ZINC001099230808 1363704262 /nfs/dbraw/zinc/70/42/62/1363704262.db2.gz XFDLUHFERRDSSJ-INIZCTEOSA-N 1 2 345.487 3.446 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2Cc2nocc2C)C1 ZINC001099230808 1363704264 /nfs/dbraw/zinc/70/42/64/1363704264.db2.gz XFDLUHFERRDSSJ-INIZCTEOSA-N 1 2 345.487 3.446 20 30 EGEDLO CC#CCCCC(=O)NCC[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001099636417 1363895136 /nfs/dbraw/zinc/89/51/36/1363895136.db2.gz MCYFWVYVEVLXAN-CQSZACIVSA-N 1 2 328.460 3.163 20 30 EGEDLO C=CCCCC(=O)NCC[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001099660500 1363902233 /nfs/dbraw/zinc/90/22/33/1363902233.db2.gz SOOGEUVSZXMRLG-CQSZACIVSA-N 1 2 330.476 3.327 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001100900332 1364321491 /nfs/dbraw/zinc/32/14/91/1364321491.db2.gz ADVAWYNUNFRNSF-LPHOPBHVSA-N 1 2 330.476 3.089 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001100914763 1364329260 /nfs/dbraw/zinc/32/92/60/1364329260.db2.gz ALEPTNALJZREML-MRXNPFEDSA-N 1 2 330.476 3.089 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001101038570 1364384911 /nfs/dbraw/zinc/38/49/11/1364384911.db2.gz ONAZSQKZDPJOOY-JKSUJKDBSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001101056629 1364395361 /nfs/dbraw/zinc/39/53/61/1364395361.db2.gz VMINMGSHOIEGPE-YWZLYKJASA-N 1 2 342.487 3.207 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCN(CCC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001101223353 1364471509 /nfs/dbraw/zinc/47/15/09/1364471509.db2.gz CGXZPUXJENPSNE-GDBMZVCRSA-N 1 2 344.503 3.453 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)CCCCC)c1nccn12 ZINC001101652387 1364673995 /nfs/dbraw/zinc/67/39/95/1364673995.db2.gz GDMCXKAWAMLCFM-INIZCTEOSA-N 1 2 344.503 3.248 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H](CN(C)c3cc[nH+]c(C)n3)C2)CCCC1 ZINC001102443675 1365057378 /nfs/dbraw/zinc/05/73/78/1365057378.db2.gz PEDZBTKIMPLMGC-KRWDZBQOSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]c(C(C)C)n1 ZINC001102574207 1365121734 /nfs/dbraw/zinc/12/17/34/1365121734.db2.gz LYASADWJIFIELR-HOTGVXAUSA-N 1 2 342.487 3.300 20 30 EGEDLO C#CCCCC(=O)N(CC)[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001102806487 1365228424 /nfs/dbraw/zinc/22/84/24/1365228424.db2.gz JWDHIOVYGOHMBU-KRWDZBQOSA-N 1 2 342.487 3.139 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N(CC)[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102823582 1365237076 /nfs/dbraw/zinc/23/70/76/1365237076.db2.gz PUIVRJYWPCZFFP-RDTXWAMCSA-N 1 2 344.503 3.431 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N(CC)[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102823581 1365237152 /nfs/dbraw/zinc/23/71/52/1365237152.db2.gz PUIVRJYWPCZFFP-KSSFIOAISA-N 1 2 344.503 3.431 20 30 EGEDLO C=CCCCC(=O)NC[C@@H](CC)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001103279274 1365468845 /nfs/dbraw/zinc/46/88/45/1365468845.db2.gz KBGPBVRWAOGFRK-OAHLLOKOSA-N 1 2 330.476 3.327 20 30 EGEDLO C#CCCCCCC(=O)NC1(CNc2cc[nH+]c(C)n2)CCCC1 ZINC001103451197 1365567588 /nfs/dbraw/zinc/56/75/88/1365567588.db2.gz NBEDVMYJVJKNIA-UHFFFAOYSA-N 1 2 328.460 3.210 20 30 EGEDLO Cc1cc(NC[C@](C)(NC(=O)C#CC(C)C)C2CC2)nc(C(C)C)[nH+]1 ZINC001103529048 1365615788 /nfs/dbraw/zinc/61/57/88/1365615788.db2.gz JWJGSONTYZCERG-FQEVSTJZSA-N 1 2 342.487 3.265 20 30 EGEDLO Cc1cc(NC[C@](C)(NC(=O)C#CC2CC2)C2CC2)nc(C(C)C)[nH+]1 ZINC001103530158 1365616414 /nfs/dbraw/zinc/61/64/14/1365616414.db2.gz DGEUGNDCVXYPLC-FQEVSTJZSA-N 1 2 340.471 3.019 20 30 EGEDLO C#CCCCCC(=O)N(C)[C@@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104522193 1366061034 /nfs/dbraw/zinc/06/10/34/1366061034.db2.gz ZOQZXYSJAMRHRM-HNNXBMFYSA-N 1 2 342.487 3.116 20 30 EGEDLO C#Cc1ccc(C(=O)N(C)[C@@H](C)CNc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC001104751098 1366156782 /nfs/dbraw/zinc/15/67/82/1366156782.db2.gz YSDQZQOWEREQLL-HNNXBMFYSA-N 1 2 348.450 3.216 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H](Nc3cc[nH+]c(C)n3)[C@H](C)C2)CC1 ZINC001105057023 1366298497 /nfs/dbraw/zinc/29/84/97/1366298497.db2.gz JXDSOWNALJWVEL-GDBMZVCRSA-N 1 2 328.460 3.180 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@](C)(CNC(=O)c2ccoc2)C1 ZINC001324908670 1387817063 /nfs/dbraw/zinc/81/70/63/1387817063.db2.gz ALSAIXMEDUHSQF-HNNXBMFYSA-N 1 2 341.249 3.020 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@](C)(CNC(=O)c2ccoc2)C1 ZINC001324908670 1387817068 /nfs/dbraw/zinc/81/70/68/1387817068.db2.gz ALSAIXMEDUHSQF-HNNXBMFYSA-N 1 2 341.249 3.020 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@@H](CC)CCCC)CC2)C1 ZINC001105717036 1366582768 /nfs/dbraw/zinc/58/27/68/1366582768.db2.gz DTHWIXLVKXCRBN-KRWDZBQOSA-N 1 2 336.520 3.471 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@H](C)CCCCC)CC2)C1 ZINC001105726362 1366586508 /nfs/dbraw/zinc/58/65/08/1366586508.db2.gz JHDWWDSUCDFPDC-QGZVFWFLSA-N 1 2 336.520 3.471 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](CC)CCCCC)CC2)C1 ZINC001105734428 1366588830 /nfs/dbraw/zinc/58/88/30/1366588830.db2.gz QYQQYWSPJUYWQY-QGZVFWFLSA-N 1 2 336.520 3.471 20 30 EGEDLO C#CCC1(C(=O)N[C@@H](C)CCNc2cc(C)[nH+]c(C(C)C)n2)CCC1 ZINC001106476224 1366706810 /nfs/dbraw/zinc/70/68/10/1366706810.db2.gz YCFRJDRDXNZEFF-HNNXBMFYSA-N 1 2 342.487 3.409 20 30 EGEDLO C#CCCCCC(=O)N(CC)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106731675 1366783421 /nfs/dbraw/zinc/78/34/21/1366783421.db2.gz BICHWTVGNUEBAJ-UHFFFAOYSA-N 1 2 328.460 3.116 20 30 EGEDLO C=C[C@H](CC(=O)NC/C=C\CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001107223443 1366896282 /nfs/dbraw/zinc/89/62/82/1366896282.db2.gz YSEZFAJCYCSUNX-ZPUOCTKUSA-N 1 2 336.439 3.229 20 30 EGEDLO C=CCCCC(=O)NC/C=C\CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107477974 1366982609 /nfs/dbraw/zinc/98/26/09/1366982609.db2.gz ZKERLDDIAWJGRS-HJWRWDBZSA-N 1 2 328.460 3.104 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncoc1C(C)C ZINC001109170929 1366987108 /nfs/dbraw/zinc/98/71/08/1366987108.db2.gz YXLJGTMSSYLQPP-RYRKJORJSA-N 1 2 343.471 3.213 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncoc1C(C)C ZINC001109170929 1366987110 /nfs/dbraw/zinc/98/71/10/1366987110.db2.gz YXLJGTMSSYLQPP-RYRKJORJSA-N 1 2 343.471 3.213 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001109195193 1366995417 /nfs/dbraw/zinc/99/54/17/1366995417.db2.gz GQPPNWGUSYDKAH-INIZCTEOSA-N 1 2 342.487 3.187 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H](C)CN(C)c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001109219501 1367010057 /nfs/dbraw/zinc/01/00/57/1367010057.db2.gz LEICDAFIIXRJLA-HNNXBMFYSA-N 1 2 342.487 3.350 20 30 EGEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1Cl ZINC001109251937 1367026822 /nfs/dbraw/zinc/02/68/22/1367026822.db2.gz RBRSCLSHUKBEBU-NJAFHUGGSA-N 1 2 346.833 3.114 20 30 EGEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1Cl ZINC001109251937 1367026831 /nfs/dbraw/zinc/02/68/31/1367026831.db2.gz RBRSCLSHUKBEBU-NJAFHUGGSA-N 1 2 346.833 3.114 20 30 EGEDLO C[C@H](c1nc2ccccc2o1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109257825 1367029368 /nfs/dbraw/zinc/02/93/68/1367029368.db2.gz OJKAWDJOTMCWMM-WCZJQEMASA-N 1 2 349.434 3.024 20 30 EGEDLO C[C@H](c1nc2ccccc2o1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109257825 1367029373 /nfs/dbraw/zinc/02/93/73/1367029373.db2.gz OJKAWDJOTMCWMM-WCZJQEMASA-N 1 2 349.434 3.024 20 30 EGEDLO CC1(C)CC(=O)C=C(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)C1 ZINC001189752089 1367102788 /nfs/dbraw/zinc/10/27/88/1367102788.db2.gz QMLLFOPJIDKTRC-UHFFFAOYSA-N 1 2 330.428 3.268 20 30 EGEDLO C#CCCCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2c(F)cccc2F)C1 ZINC001189925700 1367132325 /nfs/dbraw/zinc/13/23/25/1367132325.db2.gz DXMYPLVFTXSEFF-LSDHHAIUSA-N 1 2 334.410 3.362 20 30 EGEDLO C#CCCCC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2c(F)cccc2F)C1 ZINC001189925700 1367132330 /nfs/dbraw/zinc/13/23/30/1367132330.db2.gz DXMYPLVFTXSEFF-LSDHHAIUSA-N 1 2 334.410 3.362 20 30 EGEDLO C#CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2csc(CCCC)n2)C1 ZINC001189927479 1367133942 /nfs/dbraw/zinc/13/39/42/1367133942.db2.gz YLIVLHWHXHHLIP-KRWDZBQOSA-N 1 2 347.528 3.322 20 30 EGEDLO C#CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2csc(CCCC)n2)C1 ZINC001189927479 1367133948 /nfs/dbraw/zinc/13/39/48/1367133948.db2.gz YLIVLHWHXHHLIP-KRWDZBQOSA-N 1 2 347.528 3.322 20 30 EGEDLO C=CCCOCC(=O)N[C@H](C)CNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001107805437 1367154068 /nfs/dbraw/zinc/15/40/68/1367154068.db2.gz YTEQRIVJKRPBHL-OAHLLOKOSA-N 1 2 348.491 3.233 20 30 EGEDLO C=CCCC(=O)NC[C@@]1(C)C[N@H+]([C@H](C)c2ccc(F)cc2)CCO1 ZINC001107805015 1367154076 /nfs/dbraw/zinc/15/40/76/1367154076.db2.gz RSLNCVOGCORFKE-BEFAXECRSA-N 1 2 334.435 3.060 20 30 EGEDLO C=CCCC(=O)NC[C@@]1(C)C[N@@H+]([C@H](C)c2ccc(F)cc2)CCO1 ZINC001107805015 1367154078 /nfs/dbraw/zinc/15/40/78/1367154078.db2.gz RSLNCVOGCORFKE-BEFAXECRSA-N 1 2 334.435 3.060 20 30 EGEDLO C=CCCC(=O)NC[C@]1(C)C[N@H+]([C@H](C)c2ccc(F)cc2)CCO1 ZINC001107805017 1367154112 /nfs/dbraw/zinc/15/41/12/1367154112.db2.gz RSLNCVOGCORFKE-DNVCBOLYSA-N 1 2 334.435 3.060 20 30 EGEDLO C=CCCC(=O)NC[C@]1(C)C[N@@H+]([C@H](C)c2ccc(F)cc2)CCO1 ZINC001107805017 1367154113 /nfs/dbraw/zinc/15/41/13/1367154113.db2.gz RSLNCVOGCORFKE-DNVCBOLYSA-N 1 2 334.435 3.060 20 30 EGEDLO C=CCCC(=O)NC[C@@]1(C)C[N@H+]([C@@H](C)c2cccc(F)c2)CCO1 ZINC001107805237 1367154299 /nfs/dbraw/zinc/15/42/99/1367154299.db2.gz VAAFMIXKNDMFBZ-KXBFYZLASA-N 1 2 334.435 3.060 20 30 EGEDLO C=CCCC(=O)NC[C@@]1(C)C[N@@H+]([C@@H](C)c2cccc(F)c2)CCO1 ZINC001107805237 1367154302 /nfs/dbraw/zinc/15/43/02/1367154302.db2.gz VAAFMIXKNDMFBZ-KXBFYZLASA-N 1 2 334.435 3.060 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2ncc(C)o2)C1 ZINC001190354710 1367236386 /nfs/dbraw/zinc/23/63/86/1367236386.db2.gz OADYYWLGZIDBPZ-NVXWUHKLSA-N 1 2 331.460 3.345 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2ncc(C)o2)C1 ZINC001190354710 1367236391 /nfs/dbraw/zinc/23/63/91/1367236391.db2.gz OADYYWLGZIDBPZ-NVXWUHKLSA-N 1 2 331.460 3.345 20 30 EGEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(Cl)n1 ZINC001109656027 1367266138 /nfs/dbraw/zinc/26/61/38/1367266138.db2.gz ADMDMLBPWYARKT-PMPSAXMXSA-N 1 2 333.863 3.313 20 30 EGEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(Cl)n1 ZINC001109656027 1367266146 /nfs/dbraw/zinc/26/61/46/1367266146.db2.gz ADMDMLBPWYARKT-PMPSAXMXSA-N 1 2 333.863 3.313 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@]1(C)C[N@H+](Cc2ccsc2)CCO1 ZINC001108148831 1367310728 /nfs/dbraw/zinc/31/07/28/1367310728.db2.gz OTMJZUKFPHYTEI-MAUKXSAKSA-N 1 2 336.501 3.058 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@]1(C)C[N@@H+](Cc2ccsc2)CCO1 ZINC001108148831 1367310733 /nfs/dbraw/zinc/31/07/33/1367310733.db2.gz OTMJZUKFPHYTEI-MAUKXSAKSA-N 1 2 336.501 3.058 20 30 EGEDLO C=CCCCC(=O)NC[C@@]1(C)C[N@H+]([C@@H](C)c2ccccc2F)CCO1 ZINC001108173742 1367324353 /nfs/dbraw/zinc/32/43/53/1367324353.db2.gz WXHGFJBLEYJTKK-JXFKEZNVSA-N 1 2 348.462 3.450 20 30 EGEDLO C=CCCCC(=O)NC[C@@]1(C)C[N@@H+]([C@@H](C)c2ccccc2F)CCO1 ZINC001108173742 1367324359 /nfs/dbraw/zinc/32/43/59/1367324359.db2.gz WXHGFJBLEYJTKK-JXFKEZNVSA-N 1 2 348.462 3.450 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](CCC)CC2CCCC2)C1 ZINC001108257855 1367368094 /nfs/dbraw/zinc/36/80/94/1367368094.db2.gz NDWVXBMUEFSYKV-AZUAARDMSA-N 1 2 336.520 3.376 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](CCC)CC2CCCC2)C1 ZINC001108257855 1367368097 /nfs/dbraw/zinc/36/80/97/1367368097.db2.gz NDWVXBMUEFSYKV-AZUAARDMSA-N 1 2 336.520 3.376 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)CC(F)(F)F)C2 ZINC001109929848 1367408723 /nfs/dbraw/zinc/40/87/23/1367408723.db2.gz XTCYBEJECHHDMX-WOPDTQHZSA-N 1 2 338.801 3.439 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)CC(F)(F)F)C2 ZINC001109929848 1367408726 /nfs/dbraw/zinc/40/87/26/1367408726.db2.gz XTCYBEJECHHDMX-WOPDTQHZSA-N 1 2 338.801 3.439 20 30 EGEDLO CCCCCCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001191081956 1367420010 /nfs/dbraw/zinc/42/00/10/1367420010.db2.gz KNCJBEYFBQKARG-IBGZPJMESA-N 1 2 347.503 3.157 20 30 EGEDLO CCCCCCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001191081956 1367420015 /nfs/dbraw/zinc/42/00/15/1367420015.db2.gz KNCJBEYFBQKARG-IBGZPJMESA-N 1 2 347.503 3.157 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[C@H]([N@H+](C)CC=C(Cl)Cl)C1 ZINC001191575789 1367530894 /nfs/dbraw/zinc/53/08/94/1367530894.db2.gz DKRDFZAHVHXBIW-BBRMVZONSA-N 1 2 349.302 3.067 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[C@H]([N@@H+](C)CC=C(Cl)Cl)C1 ZINC001191575789 1367530899 /nfs/dbraw/zinc/53/08/99/1367530899.db2.gz DKRDFZAHVHXBIW-BBRMVZONSA-N 1 2 349.302 3.067 20 30 EGEDLO C#CC[C@@H](CC(=O)NCC1(Nc2cc[nH+]c(C)n2)CC1)c1ccccc1 ZINC001110169895 1367541570 /nfs/dbraw/zinc/54/15/70/1367541570.db2.gz CAZCXEOLLBWUKE-SFHVURJKSA-N 1 2 348.450 3.043 20 30 EGEDLO C=C/C(C)=C/CC(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001191788786 1367587175 /nfs/dbraw/zinc/58/71/75/1367587175.db2.gz AJCYXOJAVIABTR-SOSOSHEOSA-N 1 2 341.430 3.252 20 30 EGEDLO C=C/C(C)=C/CC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001191788786 1367587178 /nfs/dbraw/zinc/58/71/78/1367587178.db2.gz AJCYXOJAVIABTR-SOSOSHEOSA-N 1 2 341.430 3.252 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@@H](C)CNc2cccc(F)c2C#N)c(C)[nH+]1 ZINC001108793490 1367600190 /nfs/dbraw/zinc/60/01/90/1367600190.db2.gz PPYTWLFIJFLUEG-ZDUSSCGKSA-N 1 2 340.402 3.248 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2cc(C(C)(C)C)on2)C1 ZINC001192073084 1367680781 /nfs/dbraw/zinc/68/07/81/1367680781.db2.gz PDBKJMWVTSUSMY-INIZCTEOSA-N 1 2 333.476 3.361 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C(C)(C)C)on2)C1 ZINC001192073084 1367680785 /nfs/dbraw/zinc/68/07/85/1367680785.db2.gz PDBKJMWVTSUSMY-INIZCTEOSA-N 1 2 333.476 3.361 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C3CCCC3)n2)C1 ZINC001192073210 1367680817 /nfs/dbraw/zinc/68/08/17/1367680817.db2.gz QURKIISDHZPYCT-IBGZPJMESA-N 1 2 344.503 3.387 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C3CCCC3)n2)C1 ZINC001192073210 1367680819 /nfs/dbraw/zinc/68/08/19/1367680819.db2.gz QURKIISDHZPYCT-IBGZPJMESA-N 1 2 344.503 3.387 20 30 EGEDLO C=CCCCC(=O)N1CCC([C@H]2CCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001110413451 1367703278 /nfs/dbraw/zinc/70/32/78/1367703278.db2.gz NQGLLXKELYTSEK-SFHVURJKSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H]([N@@H+](C)[C@H](C)c3ncc(C)o3)C2)CC1 ZINC001192205382 1367717081 /nfs/dbraw/zinc/71/70/81/1367717081.db2.gz FIVVWSSTHXTHPS-HZPDHXFCSA-N 1 2 331.460 3.323 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H]([N@H+](C)[C@H](C)c3ncc(C)o3)C2)CC1 ZINC001192205382 1367717086 /nfs/dbraw/zinc/71/70/86/1367717086.db2.gz FIVVWSSTHXTHPS-HZPDHXFCSA-N 1 2 331.460 3.323 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3ncc(CC)o3)C2)CCC1 ZINC001192218415 1367722330 /nfs/dbraw/zinc/72/23/30/1367722330.db2.gz RAMAIKLKNLIRQR-HNNXBMFYSA-N 1 2 331.460 3.016 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3ncc(CC)o3)C2)CCC1 ZINC001192218415 1367722333 /nfs/dbraw/zinc/72/23/33/1367722333.db2.gz RAMAIKLKNLIRQR-HNNXBMFYSA-N 1 2 331.460 3.016 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001110447416 1367730986 /nfs/dbraw/zinc/73/09/86/1367730986.db2.gz CDAJGEGIWXJFGS-KURKYZTESA-N 1 2 326.415 3.023 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001110447416 1367730991 /nfs/dbraw/zinc/73/09/91/1367730991.db2.gz CDAJGEGIWXJFGS-KURKYZTESA-N 1 2 326.415 3.023 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1F ZINC001110459562 1367748850 /nfs/dbraw/zinc/74/88/50/1367748850.db2.gz QRPRXCNTIPRXFC-QRQLOZEOSA-N 1 2 346.421 3.380 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1F ZINC001110459562 1367748854 /nfs/dbraw/zinc/74/88/54/1367748854.db2.gz QRPRXCNTIPRXFC-QRQLOZEOSA-N 1 2 346.421 3.380 20 30 EGEDLO CCC[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109094025 1367763830 /nfs/dbraw/zinc/76/38/30/1367763830.db2.gz OYPXBLMSCIKJRX-OAOYMFHYSA-N 1 2 325.456 3.216 20 30 EGEDLO CCC[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109094025 1367763839 /nfs/dbraw/zinc/76/38/39/1367763839.db2.gz OYPXBLMSCIKJRX-OAOYMFHYSA-N 1 2 325.456 3.216 20 30 EGEDLO C=CCCCC(=O)NC1(C)CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001110607829 1367870639 /nfs/dbraw/zinc/87/06/39/1367870639.db2.gz LJLIEQCEYCETEL-UHFFFAOYSA-N 1 2 342.487 3.494 20 30 EGEDLO C#CCN(C(=O)CC(CC)CC)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110625294 1367874231 /nfs/dbraw/zinc/87/42/31/1367874231.db2.gz QEYCFQOSIUHBCR-UHFFFAOYSA-N 1 2 342.487 3.042 20 30 EGEDLO C#CCN(C(=O)CCCC(C)C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110628761 1367874955 /nfs/dbraw/zinc/87/49/55/1367874955.db2.gz PKVOBWJFYLALKG-UHFFFAOYSA-N 1 2 342.487 3.042 20 30 EGEDLO Cc1cc(NC[C@@H](NC(=O)[C@H](C)C#N)C2CCCC2)nc(C(C)C)[nH+]1 ZINC001110648235 1367891071 /nfs/dbraw/zinc/89/10/71/1367891071.db2.gz DUKDGCQBSCRSFB-CZUORRHYSA-N 1 2 343.475 3.155 20 30 EGEDLO C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)cc(C)n1)C2 ZINC001110750254 1367959558 /nfs/dbraw/zinc/95/95/58/1367959558.db2.gz CTYAVFBKOKXMGC-FAJBIJEISA-N 1 2 327.472 3.388 20 30 EGEDLO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)cc(C)n1)C2 ZINC001110750254 1367959574 /nfs/dbraw/zinc/95/95/74/1367959574.db2.gz CTYAVFBKOKXMGC-FAJBIJEISA-N 1 2 327.472 3.388 20 30 EGEDLO C#CCCCC(=O)N1CC[C@@](C)(CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001110841617 1368022505 /nfs/dbraw/zinc/02/25/05/1368022505.db2.gz HXCPOWFIADDKNT-FQEVSTJZSA-N 1 2 340.471 3.116 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@](C)(CNc2cc[nH+]c(C)n2)C1 ZINC001110850751 1368031249 /nfs/dbraw/zinc/03/12/49/1368031249.db2.gz VVFUEQPOZOIEOD-IBGZPJMESA-N 1 2 328.460 3.019 20 30 EGEDLO N#CC1(NC(=O)[C@H]2Cc3ccccc3C[N@@H+]2Cc2ccccc2)CCC1 ZINC001186307196 1387918773 /nfs/dbraw/zinc/91/87/73/1387918773.db2.gz VKKMKVKBMMRRGX-HXUWFJFHSA-N 1 2 345.446 3.176 20 30 EGEDLO N#CC1(NC(=O)[C@H]2Cc3ccccc3C[N@H+]2Cc2ccccc2)CCC1 ZINC001186307196 1387918775 /nfs/dbraw/zinc/91/87/75/1387918775.db2.gz VKKMKVKBMMRRGX-HXUWFJFHSA-N 1 2 345.446 3.176 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H]([C@@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001111229643 1368205178 /nfs/dbraw/zinc/20/51/78/1368205178.db2.gz HVBYGHSAQNFRRW-NVXWUHKLSA-N 1 2 328.460 3.018 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([C@@H](C)Nc3cc[nH+]c(C)n3)C2)CCC1 ZINC001111233064 1368209346 /nfs/dbraw/zinc/20/93/46/1368209346.db2.gz OSKUNOVSDAZFGH-ZBFHGGJFSA-N 1 2 328.460 3.180 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)COc1ccccc1)C2 ZINC001111411988 1368303104 /nfs/dbraw/zinc/30/31/04/1368303104.db2.gz XZQIEJLJUBMCDK-NZPGVSJUSA-N 1 2 348.874 3.176 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)COc1ccccc1)C2 ZINC001111411988 1368303109 /nfs/dbraw/zinc/30/31/09/1368303109.db2.gz XZQIEJLJUBMCDK-NZPGVSJUSA-N 1 2 348.874 3.176 20 30 EGEDLO C#CCCCC(=O)NCc1ccc([C@H](C)Nc2cc[nH+]c(C)n2)cc1 ZINC001111631902 1368394370 /nfs/dbraw/zinc/39/43/70/1368394370.db2.gz VYTODTSNYGQFFL-HNNXBMFYSA-N 1 2 336.439 3.378 20 30 EGEDLO C#CCCCC(=O)NCc1ccc([C@@H](C)Nc2cc[nH+]c(C)n2)cc1 ZINC001111631903 1368394624 /nfs/dbraw/zinc/39/46/24/1368394624.db2.gz VYTODTSNYGQFFL-OAHLLOKOSA-N 1 2 336.439 3.378 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@@H+](Cc2cc(F)ccc2Cl)CC1 ZINC001195644974 1368463983 /nfs/dbraw/zinc/46/39/83/1368463983.db2.gz FDJZSEQDNPDOSS-UHFFFAOYSA-N 1 2 336.838 3.317 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@H+](Cc2cc(F)ccc2Cl)CC1 ZINC001195644974 1368463986 /nfs/dbraw/zinc/46/39/86/1368463986.db2.gz FDJZSEQDNPDOSS-UHFFFAOYSA-N 1 2 336.838 3.317 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001196880488 1368705996 /nfs/dbraw/zinc/70/59/96/1368705996.db2.gz KXWYRQZWVHUDPY-INIZCTEOSA-N 1 2 343.446 3.334 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001196880488 1368705997 /nfs/dbraw/zinc/70/59/97/1368705997.db2.gz KXWYRQZWVHUDPY-INIZCTEOSA-N 1 2 343.446 3.334 20 30 EGEDLO C#CCCCCC(=O)N1C[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)[C@@H](C)C1 ZINC001112308727 1368758425 /nfs/dbraw/zinc/75/84/25/1368758425.db2.gz MJVXQBWHBIMWOZ-RDJZCZTQSA-N 1 2 342.487 3.361 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1(C)C ZINC001112367561 1368795722 /nfs/dbraw/zinc/79/57/22/1368795722.db2.gz KUDZZLHNFLPZHK-MRXNPFEDSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001112429491 1368843705 /nfs/dbraw/zinc/84/37/05/1368843705.db2.gz QHDJETDOZPAKIT-CZUORRHYSA-N 1 2 342.487 3.206 20 30 EGEDLO CCC[C@@H](CC)C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC001197597445 1368849842 /nfs/dbraw/zinc/84/98/42/1368849842.db2.gz PUIXPHRPIOLSGJ-HXUWFJFHSA-N 1 2 326.484 3.399 20 30 EGEDLO CCC[C@@H](CC)C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001197597445 1368849847 /nfs/dbraw/zinc/84/98/47/1368849847.db2.gz PUIXPHRPIOLSGJ-HXUWFJFHSA-N 1 2 326.484 3.399 20 30 EGEDLO C#CCCCCCC(=O)N(C)[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001112631792 1368961630 /nfs/dbraw/zinc/96/16/30/1368961630.db2.gz LIVVUTJHFKDVKB-GOSISDBHSA-N 1 2 342.487 3.186 20 30 EGEDLO CC#CCCCC(=O)N1CCC(CN(CC)c2cc[nH+]c(C)n2)CC1 ZINC001112687074 1368981246 /nfs/dbraw/zinc/98/12/46/1368981246.db2.gz PFABOVMCELWEOK-UHFFFAOYSA-N 1 2 342.487 3.044 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001112807354 1369018810 /nfs/dbraw/zinc/01/88/10/1369018810.db2.gz FYWVXMVJFGWLQF-QGZVFWFLSA-N 1 2 344.503 3.431 20 30 EGEDLO CC(C)C#CC(=O)N1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1 ZINC001112832205 1369034325 /nfs/dbraw/zinc/03/43/25/1369034325.db2.gz LJGBXCBRTVSOTQ-UHFFFAOYSA-N 1 2 326.484 3.288 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[NH+](CCOc2ccccc2C)CC1 ZINC001112885682 1369069073 /nfs/dbraw/zinc/06/90/73/1369069073.db2.gz LNDFLNGDIPKBHJ-UHFFFAOYSA-N 1 2 342.483 3.286 20 30 EGEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc3ccc(F)cc3s2)CC1 ZINC001113077034 1369184294 /nfs/dbraw/zinc/18/42/94/1369184294.db2.gz QKDSQBWUNZQPDQ-UHFFFAOYSA-N 1 2 348.443 3.001 20 30 EGEDLO C#CCC1(C(=O)N[C@H](C)[C@@H](C)Nc2cc(C)[nH+]c(C(C)C)n2)CCC1 ZINC001113181140 1369249456 /nfs/dbraw/zinc/24/94/56/1369249456.db2.gz RUQLEEJKIYZHCK-HZPDHXFCSA-N 1 2 342.487 3.407 20 30 EGEDLO C#CCCCCCC(=O)N1CC[NH+](Cc2cc(F)ccc2C)CC1 ZINC001113199926 1369258887 /nfs/dbraw/zinc/25/88/87/1369258887.db2.gz ONLIMRPKDPEEPK-UHFFFAOYSA-N 1 2 330.447 3.362 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(COC)cc2)CC1 ZINC001113244165 1369288539 /nfs/dbraw/zinc/28/85/39/1369288539.db2.gz VRNGKEPTEVVRJM-QGZVFWFLSA-N 1 2 330.472 3.080 20 30 EGEDLO C=CCCCC(=O)N1CC[NH+](CCCc2c(F)cccc2F)CC1 ZINC001113283091 1369316935 /nfs/dbraw/zinc/31/69/35/1369316935.db2.gz ABIWPVWEPVPYOF-UHFFFAOYSA-N 1 2 336.426 3.398 20 30 EGEDLO CCCCCCCCCCNC(=S)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC001200209518 1369328877 /nfs/dbraw/zinc/32/88/77/1369328877.db2.gz IRYVEBKYTHGMBZ-SJORKVTESA-N 1 2 341.565 3.016 20 30 EGEDLO CCCCCCCCCCNC(=S)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC001200209518 1369328880 /nfs/dbraw/zinc/32/88/80/1369328880.db2.gz IRYVEBKYTHGMBZ-SJORKVTESA-N 1 2 341.565 3.016 20 30 EGEDLO C=C1CCC(C(=O)N2CC[NH+](CCOCc3ccccc3)CC2)CC1 ZINC001113303026 1369332376 /nfs/dbraw/zinc/33/23/76/1369332376.db2.gz INTHMIIRHPDPGI-UHFFFAOYSA-N 1 2 342.483 3.094 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](CCOc3cccc(F)c3)CC2)CCC1 ZINC001113310967 1369337773 /nfs/dbraw/zinc/33/77/73/1369337773.db2.gz WCXDRBMXRZOZJP-UHFFFAOYSA-N 1 2 346.446 3.095 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[NH+](CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC001113390908 1369391912 /nfs/dbraw/zinc/39/19/12/1369391912.db2.gz ZQIWXFBBMQSRRX-QZTJIDSGSA-N 1 2 336.520 3.328 20 30 EGEDLO C=CCC1(C(=O)N(C)CC(C)(C)CNc2cc[nH+]c(C)n2)CCC1 ZINC001113457373 1369445648 /nfs/dbraw/zinc/44/56/48/1369445648.db2.gz MVCJNHSXKGZFBF-UHFFFAOYSA-N 1 2 330.476 3.428 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001113851666 1369633355 /nfs/dbraw/zinc/63/33/55/1369633355.db2.gz OMLQKYWKKKBRQP-HNAYVOBHSA-N 1 2 332.492 3.452 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)CC1(C)C ZINC001114468202 1369960588 /nfs/dbraw/zinc/96/05/88/1369960588.db2.gz OVMIQEDARJUYJN-INIZCTEOSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001114475646 1369965418 /nfs/dbraw/zinc/96/54/18/1369965418.db2.gz SGJXXMFDAZSMLD-MRXNPFEDSA-N 1 2 344.503 3.335 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N[C@H]1C[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001114806869 1370089911 /nfs/dbraw/zinc/08/99/11/1370089911.db2.gz GYQSPRDXKJPRCP-QEWYBTABSA-N 1 2 342.487 3.427 20 30 EGEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1c(C)cc(C)cc1C ZINC001203742202 1370244480 /nfs/dbraw/zinc/24/44/80/1370244480.db2.gz GSZQOONIZXJDIS-IBGZPJMESA-N 1 2 340.471 3.042 20 30 EGEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1c(C)cc(C)cc1C ZINC001203742202 1370244485 /nfs/dbraw/zinc/24/44/85/1370244485.db2.gz GSZQOONIZXJDIS-IBGZPJMESA-N 1 2 340.471 3.042 20 30 EGEDLO C=CCC1(C(=O)NCC[C@@H](Nc2cc[nH+]c(C)n2)C(C)C)CCC1 ZINC001115355387 1370404197 /nfs/dbraw/zinc/40/41/97/1370404197.db2.gz YDPNDUUZQBKUAY-MRXNPFEDSA-N 1 2 330.476 3.474 20 30 EGEDLO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccccc1C#N ZINC001204368735 1370455724 /nfs/dbraw/zinc/45/57/24/1370455724.db2.gz VSZCTRYXTFGHIX-HNNXBMFYSA-N 1 2 329.444 3.390 20 30 EGEDLO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccccc1C#N ZINC001204368735 1370455727 /nfs/dbraw/zinc/45/57/27/1370455727.db2.gz VSZCTRYXTFGHIX-HNNXBMFYSA-N 1 2 329.444 3.390 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccccc1C#N)CCO2 ZINC001204370751 1370456935 /nfs/dbraw/zinc/45/69/35/1370456935.db2.gz KFHDPZQIABXIML-WOJBJXKFSA-N 1 2 326.440 3.132 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1ccccc1C#N)CCO2 ZINC001204370751 1370456941 /nfs/dbraw/zinc/45/69/41/1370456941.db2.gz KFHDPZQIABXIML-WOJBJXKFSA-N 1 2 326.440 3.132 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccccc1C#N)CCO2 ZINC001204370750 1370457074 /nfs/dbraw/zinc/45/70/74/1370457074.db2.gz KFHDPZQIABXIML-VQTJNVASSA-N 1 2 326.440 3.132 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccccc1C#N)CCO2 ZINC001204370750 1370457075 /nfs/dbraw/zinc/45/70/75/1370457075.db2.gz KFHDPZQIABXIML-VQTJNVASSA-N 1 2 326.440 3.132 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1cccc(F)c1C ZINC001204510522 1370498719 /nfs/dbraw/zinc/49/87/19/1370498719.db2.gz KZIZKZQLHUZDCJ-SFHVURJKSA-N 1 2 329.419 3.170 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1cccc(F)c1C ZINC001204510522 1370498722 /nfs/dbraw/zinc/49/87/22/1370498722.db2.gz KZIZKZQLHUZDCJ-SFHVURJKSA-N 1 2 329.419 3.170 20 30 EGEDLO C=CCOCC(=O)N(C)C[C@@H](C)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001115651507 1370638478 /nfs/dbraw/zinc/63/84/78/1370638478.db2.gz YSGNGXDFPZKVBH-OAHLLOKOSA-N 1 2 348.491 3.185 20 30 EGEDLO CC(C)c1cc(N[C@H](C)CN(C)C(=O)[C@@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001115660490 1370644744 /nfs/dbraw/zinc/64/47/44/1370644744.db2.gz OEEKRICLHNZOLC-UONOGXRCSA-N 1 2 331.464 3.142 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCC1([NH2+]Cc2noc(CC)n2)CCCCC1 ZINC001115685163 1370668441 /nfs/dbraw/zinc/66/84/41/1370668441.db2.gz WKBVLHPEWSHFSF-OAHLLOKOSA-N 1 2 348.491 3.143 20 30 EGEDLO N#Cc1ccc(F)c(-c2noc([C@H]([NH3+])c3cccc(Cl)c3)n2)c1 ZINC001205806740 1370878011 /nfs/dbraw/zinc/87/80/11/1370878011.db2.gz QNQQXZWSAANGJE-CQSZACIVSA-N 1 2 328.734 3.449 20 30 EGEDLO C#CC[N@@H+](Cc1ccc(OC)c(OC)c1Br)CC1CC1 ZINC001116369081 1370896621 /nfs/dbraw/zinc/89/66/21/1370896621.db2.gz BSQYYMCPZTUMNU-UHFFFAOYSA-N 1 2 338.245 3.312 20 30 EGEDLO C#CC[N@H+](Cc1ccc(OC)c(OC)c1Br)CC1CC1 ZINC001116369081 1370896626 /nfs/dbraw/zinc/89/66/26/1370896626.db2.gz BSQYYMCPZTUMNU-UHFFFAOYSA-N 1 2 338.245 3.312 20 30 EGEDLO CCC[C@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206502064 1371074843 /nfs/dbraw/zinc/07/48/43/1371074843.db2.gz LHEOTMBORJGTPU-QMTMVMCOSA-N 1 2 345.462 3.460 20 30 EGEDLO CCC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206502064 1371074844 /nfs/dbraw/zinc/07/48/44/1371074844.db2.gz LHEOTMBORJGTPU-QMTMVMCOSA-N 1 2 345.462 3.460 20 30 EGEDLO CC(C)[C@@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206545860 1371090376 /nfs/dbraw/zinc/09/03/76/1371090376.db2.gz ZSBBFCFSGUWIJU-QMTMVMCOSA-N 1 2 345.462 3.316 20 30 EGEDLO CC(C)[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206545860 1371090379 /nfs/dbraw/zinc/09/03/79/1371090379.db2.gz ZSBBFCFSGUWIJU-QMTMVMCOSA-N 1 2 345.462 3.316 20 30 EGEDLO N#Cc1c[nH]c2ncc(-c3ccc(C[NH+]4CCOCC4)cc3F)cc12 ZINC001206719934 1371144260 /nfs/dbraw/zinc/14/42/60/1371144260.db2.gz QAVGJTNSJHTIGJ-UHFFFAOYSA-N 1 2 336.370 3.073 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC001206845535 1371187254 /nfs/dbraw/zinc/18/72/54/1371187254.db2.gz WQIWNBAKXWQRDY-INIZCTEOSA-N 1 2 341.411 3.218 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC001206845535 1371187258 /nfs/dbraw/zinc/18/72/58/1371187258.db2.gz WQIWNBAKXWQRDY-INIZCTEOSA-N 1 2 341.411 3.218 20 30 EGEDLO CC[C@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206909191 1371218695 /nfs/dbraw/zinc/21/86/95/1371218695.db2.gz YODKSTMQZIWROP-PMUMKWKESA-N 1 2 331.435 3.070 20 30 EGEDLO CC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206909191 1371218697 /nfs/dbraw/zinc/21/86/97/1371218697.db2.gz YODKSTMQZIWROP-PMUMKWKESA-N 1 2 331.435 3.070 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)cs2)C[C@H]1C ZINC001207093037 1371292106 /nfs/dbraw/zinc/29/21/06/1371292106.db2.gz CYKFKASEMSFDKW-CZUORRHYSA-N 1 2 333.501 3.156 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](Cc2nc(C)cs2)C[C@H]1C ZINC001207093037 1371292109 /nfs/dbraw/zinc/29/21/09/1371292109.db2.gz CYKFKASEMSFDKW-CZUORRHYSA-N 1 2 333.501 3.156 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)c(C)o2)C[C@H]1C ZINC001207131679 1371303328 /nfs/dbraw/zinc/30/33/28/1371303328.db2.gz HQZQBYGDFDLWDQ-QMTHXVAHSA-N 1 2 339.867 3.007 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2nc(C)c(C)o2)C[C@H]1C ZINC001207131679 1371303329 /nfs/dbraw/zinc/30/33/29/1371303329.db2.gz HQZQBYGDFDLWDQ-QMTHXVAHSA-N 1 2 339.867 3.007 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001207158732 1371315143 /nfs/dbraw/zinc/31/51/43/1371315143.db2.gz ZSIOBMVENIWBIJ-UKRRQHHQSA-N 1 2 331.460 3.091 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001207158732 1371315146 /nfs/dbraw/zinc/31/51/46/1371315146.db2.gz ZSIOBMVENIWBIJ-UKRRQHHQSA-N 1 2 331.460 3.091 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc(C(C)C)no2)C[C@H]1C ZINC001207200426 1371327581 /nfs/dbraw/zinc/32/75/81/1371327581.db2.gz FLUKKRKPVQPIMD-RBSFLKMASA-N 1 2 334.464 3.047 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc(C(C)C)no2)C[C@H]1C ZINC001207200426 1371327587 /nfs/dbraw/zinc/32/75/87/1371327587.db2.gz FLUKKRKPVQPIMD-RBSFLKMASA-N 1 2 334.464 3.047 20 30 EGEDLO C=CCN(CC[N@@H+]1CCC[C@@H]1c1ncccn1)C(=O)OC(C)(C)C ZINC001207204426 1371329121 /nfs/dbraw/zinc/32/91/21/1371329121.db2.gz NINSIWSDOYMSSI-OAHLLOKOSA-N 1 2 332.448 3.037 20 30 EGEDLO C=CCN(CC[N@H+]1CCC[C@@H]1c1ncccn1)C(=O)OC(C)(C)C ZINC001207204426 1371329122 /nfs/dbraw/zinc/32/91/22/1371329122.db2.gz NINSIWSDOYMSSI-OAHLLOKOSA-N 1 2 332.448 3.037 20 30 EGEDLO CC(C)(C)OC(=O)N1CCC2(CC(C[N@@H+]3CCC[C@H]3C#N)C2)CC1 ZINC001207802788 1371508548 /nfs/dbraw/zinc/50/85/48/1371508548.db2.gz BSPCFTNTZQJXHQ-INIZCTEOSA-N 1 2 333.476 3.402 20 30 EGEDLO CC(C)(C)OC(=O)N1CCC2(CC(C[N@H+]3CCC[C@H]3C#N)C2)CC1 ZINC001207802788 1371508554 /nfs/dbraw/zinc/50/85/54/1371508554.db2.gz BSPCFTNTZQJXHQ-INIZCTEOSA-N 1 2 333.476 3.402 20 30 EGEDLO CC[C@@H](C)CC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187691289 1388144594 /nfs/dbraw/zinc/14/45/94/1388144594.db2.gz XOPUWSIOLBWGHF-SIXWZSSISA-N 1 2 343.446 3.166 20 30 EGEDLO CC[C@@H](C)CC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187691289 1388144595 /nfs/dbraw/zinc/14/45/95/1388144595.db2.gz XOPUWSIOLBWGHF-SIXWZSSISA-N 1 2 343.446 3.166 20 30 EGEDLO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCn3c(nnc3C(F)(F)F)C2)CC1 ZINC001208171736 1371616636 /nfs/dbraw/zinc/61/66/36/1371616636.db2.gz YLYFQRSTVQYQTP-CYBMUJFWSA-N 1 2 326.366 3.415 20 30 EGEDLO C=C(C)[C@@H]1CC=C(C[N@H+]2CCn3c(nnc3C(F)(F)F)C2)CC1 ZINC001208171736 1371616641 /nfs/dbraw/zinc/61/66/41/1371616641.db2.gz YLYFQRSTVQYQTP-CYBMUJFWSA-N 1 2 326.366 3.415 20 30 EGEDLO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+](CCC#N)Cc1cccnc1 ZINC001208209798 1371650607 /nfs/dbraw/zinc/65/06/07/1371650607.db2.gz RWWRPTSMZJEJJU-MRXNPFEDSA-N 1 2 337.423 3.405 20 30 EGEDLO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+](CCC#N)Cc1cccnc1 ZINC001208209798 1371650610 /nfs/dbraw/zinc/65/06/10/1371650610.db2.gz RWWRPTSMZJEJJU-MRXNPFEDSA-N 1 2 337.423 3.405 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@H]([NH2+][C@H](C)c2nc(C(C)C)no2)C1 ZINC001208260812 1371688554 /nfs/dbraw/zinc/68/85/54/1371688554.db2.gz FZWMFCSAHMKGPH-CABCVRRESA-N 1 2 334.464 3.191 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2nc(CCCC)no2)C1 ZINC001208261286 1371688704 /nfs/dbraw/zinc/68/87/04/1371688704.db2.gz MFPPHXTVNTURMY-HZPDHXFCSA-N 1 2 348.491 3.410 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc(C3CC3)no2)C[C@H]1C ZINC001208302012 1371706682 /nfs/dbraw/zinc/70/66/82/1371706682.db2.gz UNYQYAZDIUQBBY-UMVBOHGHSA-N 1 2 346.475 3.047 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc(C3CC3)no2)C[C@H]1C ZINC001208302012 1371706684 /nfs/dbraw/zinc/70/66/84/1371706684.db2.gz UNYQYAZDIUQBBY-UMVBOHGHSA-N 1 2 346.475 3.047 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001208321058 1371716427 /nfs/dbraw/zinc/71/64/27/1371716427.db2.gz KYGIMSUMIPOCBM-NVXWUHKLSA-N 1 2 347.528 3.226 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001208321058 1371716429 /nfs/dbraw/zinc/71/64/29/1371716429.db2.gz KYGIMSUMIPOCBM-NVXWUHKLSA-N 1 2 347.528 3.226 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001208497858 1371787436 /nfs/dbraw/zinc/78/74/36/1371787436.db2.gz BUHUNJMXHIKWKK-DDUZABMNSA-N 1 2 335.517 3.244 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001208497858 1371787441 /nfs/dbraw/zinc/78/74/41/1371787441.db2.gz BUHUNJMXHIKWKK-DDUZABMNSA-N 1 2 335.517 3.244 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)CCCC)[C@@H]2C1 ZINC001187750423 1388154995 /nfs/dbraw/zinc/15/49/95/1388154995.db2.gz YNQQVKKMUPVZFV-AEGPPILISA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)CCCC)[C@@H]2C1 ZINC001187750423 1388154999 /nfs/dbraw/zinc/15/49/99/1388154999.db2.gz YNQQVKKMUPVZFV-AEGPPILISA-N 1 2 343.309 3.254 20 30 EGEDLO CC/C(C)=C\C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187787868 1388162774 /nfs/dbraw/zinc/16/27/74/1388162774.db2.gz PVWNCBOCDRBERI-MSTXYJOUSA-N 1 2 341.430 3.086 20 30 EGEDLO CC/C(C)=C\C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187787868 1388162778 /nfs/dbraw/zinc/16/27/78/1388162778.db2.gz PVWNCBOCDRBERI-MSTXYJOUSA-N 1 2 341.430 3.086 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N(CC(F)F)C1CCC1 ZINC001121510412 1371995185 /nfs/dbraw/zinc/99/51/85/1371995185.db2.gz VLCVIAOCXOYJGZ-CQSZACIVSA-N 1 2 339.434 3.245 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(CC(F)F)C1CCC1 ZINC001121510412 1371995188 /nfs/dbraw/zinc/99/51/88/1371995188.db2.gz VLCVIAOCXOYJGZ-CQSZACIVSA-N 1 2 339.434 3.245 20 30 EGEDLO C=CCCCC(=O)NC1CC2(C1)CC([NH2+]Cc1noc(C(C)C)n1)C2 ZINC001121663137 1372039114 /nfs/dbraw/zinc/03/91/14/1372039114.db2.gz JDAPWCQMTICDHV-UHFFFAOYSA-N 1 2 346.475 3.066 20 30 EGEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001122536774 1372268305 /nfs/dbraw/zinc/26/83/05/1372268305.db2.gz MVTZPUQSJGJOJU-JKSUJKDBSA-N 1 2 349.548 3.170 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001122536398 1372268487 /nfs/dbraw/zinc/26/84/87/1372268487.db2.gz AYPGGSNWHYGTFQ-JYJNAYRXSA-N 1 2 349.548 3.341 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001122536398 1372268489 /nfs/dbraw/zinc/26/84/89/1372268489.db2.gz AYPGGSNWHYGTFQ-JYJNAYRXSA-N 1 2 349.548 3.341 20 30 EGEDLO N#C[C@@H]1C[NH2+]CCN1Cc1c(Cl)c(Cl)ccc1C(F)(F)F ZINC001210122828 1372275400 /nfs/dbraw/zinc/27/54/00/1372275400.db2.gz SZTQUIOQZDPOGZ-MRVPVSSYSA-N 1 2 338.160 3.310 20 30 EGEDLO COc1cccc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c1C#N ZINC001210122342 1372275542 /nfs/dbraw/zinc/27/55/42/1372275542.db2.gz SVMOYRLSRZZCFN-OKILXGFUSA-N 1 2 338.411 3.319 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H](OC(C)C)C1 ZINC001122622897 1372285372 /nfs/dbraw/zinc/28/53/72/1372285372.db2.gz KULHWYRJJZBDLG-IAGOWNOFSA-N 1 2 347.507 3.015 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H](OC(C)C)C1 ZINC001122622897 1372285376 /nfs/dbraw/zinc/28/53/76/1372285376.db2.gz KULHWYRJJZBDLG-IAGOWNOFSA-N 1 2 347.507 3.015 20 30 EGEDLO Cc1cc(Nc2cc(Br)c3[nH+]ccn3c2)cnc1C#N ZINC001210202225 1372293388 /nfs/dbraw/zinc/29/33/88/1372293388.db2.gz RQUMCBJBPFSGIB-UHFFFAOYSA-N 1 2 328.173 3.416 20 30 EGEDLO Cc1ccc(C#N)cc1Nc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001210501418 1372368115 /nfs/dbraw/zinc/36/81/15/1372368115.db2.gz FDUWRZOEIJYHRE-UHFFFAOYSA-N 1 2 337.423 3.321 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nncn2C)C[C@H]1C ZINC001210547464 1372375939 /nfs/dbraw/zinc/37/59/39/1372375939.db2.gz OPUNAVCEVWSHKD-BRWVUGGUSA-N 1 2 349.523 3.063 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nncn2C)C[C@H]1C ZINC001210547464 1372375943 /nfs/dbraw/zinc/37/59/43/1372375943.db2.gz OPUNAVCEVWSHKD-BRWVUGGUSA-N 1 2 349.523 3.063 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3nocc3C)C[C@H]2C)CCCCC1 ZINC001211235724 1372508977 /nfs/dbraw/zinc/50/89/77/1372508977.db2.gz VUOABYAGLWJAAM-NVXWUHKLSA-N 1 2 345.487 3.446 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3nocc3C)C[C@H]2C)CCCCC1 ZINC001211235724 1372508980 /nfs/dbraw/zinc/50/89/80/1372508980.db2.gz VUOABYAGLWJAAM-NVXWUHKLSA-N 1 2 345.487 3.446 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[C@@H](CNc3cc[nH+]c(C)n3)C2)CCC1 ZINC001123866375 1372610401 /nfs/dbraw/zinc/61/04/01/1372610401.db2.gz DCTCPDNQOYZBAV-HZPDHXFCSA-N 1 2 328.460 3.228 20 30 EGEDLO C=CC1(CC(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@H]2OC)CCCCC1 ZINC001213561511 1372926764 /nfs/dbraw/zinc/92/67/64/1372926764.db2.gz APOYSBLCQMXAJN-XKQHDHNFSA-N 1 2 340.895 3.081 20 30 EGEDLO C=CC1(CC(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@H]2OC)CCCCC1 ZINC001213561511 1372926766 /nfs/dbraw/zinc/92/67/66/1372926766.db2.gz APOYSBLCQMXAJN-XKQHDHNFSA-N 1 2 340.895 3.081 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C(C)(C)C ZINC001126151017 1372943527 /nfs/dbraw/zinc/94/35/27/1372943527.db2.gz AYDQEVADTRNXNP-INIZCTEOSA-N 1 2 341.459 3.029 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1OC ZINC001213770633 1372959469 /nfs/dbraw/zinc/95/94/69/1372959469.db2.gz CRJIAUKXHSHNAC-LXJJZASNSA-N 1 2 330.900 3.305 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1OC ZINC001213770633 1372959473 /nfs/dbraw/zinc/95/94/73/1372959473.db2.gz CRJIAUKXHSHNAC-LXJJZASNSA-N 1 2 330.900 3.305 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)CC3CCC3)c2C1 ZINC001128279277 1373245067 /nfs/dbraw/zinc/24/50/67/1373245067.db2.gz UKELVOZNPDEHJB-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)CC3CCC3)c2C1 ZINC001128279277 1373245071 /nfs/dbraw/zinc/24/50/71/1373245071.db2.gz UKELVOZNPDEHJB-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO C=CC(C)(C)CC(=O)NCc1cnn2c1C[N@H+](CC/C=C/CC)CC2 ZINC001128362082 1373257159 /nfs/dbraw/zinc/25/71/59/1373257159.db2.gz ALZPHVHCTUMDCR-BQYQJAHWSA-N 1 2 344.503 3.274 20 30 EGEDLO C=CC(C)(C)CC(=O)NCc1cnn2c1C[N@@H+](CC/C=C/CC)CC2 ZINC001128362082 1373257162 /nfs/dbraw/zinc/25/71/62/1373257162.db2.gz ALZPHVHCTUMDCR-BQYQJAHWSA-N 1 2 344.503 3.274 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCc1cnn2c1C[N@H+](CC/C=C\CC)CC2 ZINC001128463635 1373272965 /nfs/dbraw/zinc/27/29/65/1373272965.db2.gz OKUFHOFTVWDUER-ZPUOCTKUSA-N 1 2 344.503 3.274 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCc1cnn2c1C[N@@H+](CC/C=C\CC)CC2 ZINC001128463635 1373272968 /nfs/dbraw/zinc/27/29/68/1373272968.db2.gz OKUFHOFTVWDUER-ZPUOCTKUSA-N 1 2 344.503 3.274 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)C[C@H]3C[C@H]3C)c2C1 ZINC001128475651 1373274421 /nfs/dbraw/zinc/27/44/21/1373274421.db2.gz FDZVYMGQWNAEOL-IAGOWNOFSA-N 1 2 346.519 3.331 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)C[C@H]3C[C@H]3C)c2C1 ZINC001128475651 1373274423 /nfs/dbraw/zinc/27/44/23/1373274423.db2.gz FDZVYMGQWNAEOL-IAGOWNOFSA-N 1 2 346.519 3.331 20 30 EGEDLO CCCCCCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnsn2)C1 ZINC001216526735 1373313883 /nfs/dbraw/zinc/31/38/83/1373313883.db2.gz VKRPNUDRXBSSQP-GDBMZVCRSA-N 1 2 338.521 3.225 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)CC(F)(F)F)[C@@H]2C1 ZINC001221920765 1373804039 /nfs/dbraw/zinc/80/40/39/1373804039.db2.gz VPBHHGGUVWBEJL-VXGBXAGGSA-N 1 2 338.801 3.250 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)CC(F)(F)F)[C@@H]2C1 ZINC001221920765 1373804043 /nfs/dbraw/zinc/80/40/43/1373804043.db2.gz VPBHHGGUVWBEJL-VXGBXAGGSA-N 1 2 338.801 3.250 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131899867 1375035794 /nfs/dbraw/zinc/03/57/94/1375035794.db2.gz QYOSVSHYFPWOAS-RDTXWAMCSA-N 1 2 329.419 3.133 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131899867 1375035800 /nfs/dbraw/zinc/03/58/00/1375035800.db2.gz QYOSVSHYFPWOAS-RDTXWAMCSA-N 1 2 329.419 3.133 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001131959608 1375070642 /nfs/dbraw/zinc/07/06/42/1375070642.db2.gz GPZOOIAGNZXWBX-WMLDXEAASA-N 1 2 329.419 3.291 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001131959608 1375070648 /nfs/dbraw/zinc/07/06/48/1375070648.db2.gz GPZOOIAGNZXWBX-WMLDXEAASA-N 1 2 329.419 3.291 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2c(F)cccc2F)C1 ZINC001132003618 1375094668 /nfs/dbraw/zinc/09/46/68/1375094668.db2.gz XYKHCKLEAFWIPZ-LSDHHAIUSA-N 1 2 334.410 3.237 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2c(F)cccc2F)C1 ZINC001132003618 1375094676 /nfs/dbraw/zinc/09/46/76/1375094676.db2.gz XYKHCKLEAFWIPZ-LSDHHAIUSA-N 1 2 334.410 3.237 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)/C=C(/C)CC)CC[C@@H]1C ZINC001132013014 1375097527 /nfs/dbraw/zinc/09/75/27/1375097527.db2.gz GBDFHGHCQANDLK-OQXBOSRRSA-N 1 2 329.282 3.220 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)/C=C(/C)CC)CC[C@@H]1C ZINC001132013014 1375097534 /nfs/dbraw/zinc/09/75/34/1375097534.db2.gz GBDFHGHCQANDLK-OQXBOSRRSA-N 1 2 329.282 3.220 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC001132017010 1375100293 /nfs/dbraw/zinc/10/02/93/1375100293.db2.gz LYSKZSKKRADHGS-GOEBONIOSA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC001132017010 1375100295 /nfs/dbraw/zinc/10/02/95/1375100295.db2.gz LYSKZSKKRADHGS-GOEBONIOSA-N 1 2 334.410 3.093 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1ccc(F)cc1Cl ZINC001132045303 1375115074 /nfs/dbraw/zinc/11/50/74/1375115074.db2.gz DLVZCQBRCRRKSX-CXAGYDPISA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1ccc(F)cc1Cl ZINC001132045303 1375115076 /nfs/dbraw/zinc/11/50/76/1375115076.db2.gz DLVZCQBRCRRKSX-CXAGYDPISA-N 1 2 348.849 3.362 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2nocc2C)C1 ZINC001132057300 1375123288 /nfs/dbraw/zinc/12/32/88/1375123288.db2.gz MOYCNRGMAKSAII-WBVHZDCISA-N 1 2 331.460 3.221 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2nocc2C)C1 ZINC001132057300 1375123291 /nfs/dbraw/zinc/12/32/91/1375123291.db2.gz MOYCNRGMAKSAII-WBVHZDCISA-N 1 2 331.460 3.221 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001132067946 1375130223 /nfs/dbraw/zinc/13/02/23/1375130223.db2.gz BSNIWTQPGLOBMT-BBRMVZONSA-N 1 2 333.476 3.363 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001132067946 1375130224 /nfs/dbraw/zinc/13/02/24/1375130224.db2.gz BSNIWTQPGLOBMT-BBRMVZONSA-N 1 2 333.476 3.363 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(F)(F)C(F)F ZINC001225771673 1375153445 /nfs/dbraw/zinc/15/34/45/1375153445.db2.gz SUQGAHOEAIWAOM-CHWSQXEVSA-N 1 2 336.373 3.097 20 30 EGEDLO C=CCCC[N@H+]1C[C@H](NC(=O)c2n[nH]c3ccc(C)cc32)CC[C@H]1C ZINC001132153054 1375173615 /nfs/dbraw/zinc/17/36/15/1375173615.db2.gz MTYCIZOGWONAJR-HZPDHXFCSA-N 1 2 340.471 3.420 20 30 EGEDLO C=CCCC[N@@H+]1C[C@H](NC(=O)c2n[nH]c3ccc(C)cc32)CC[C@H]1C ZINC001132153054 1375173619 /nfs/dbraw/zinc/17/36/19/1375173619.db2.gz MTYCIZOGWONAJR-HZPDHXFCSA-N 1 2 340.471 3.420 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccncc2Cl)C1 ZINC001132219099 1375218109 /nfs/dbraw/zinc/21/81/09/1375218109.db2.gz ZUEXFRMYKFAVEK-UKRRQHHQSA-N 1 2 335.879 3.416 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccncc2Cl)C1 ZINC001132219099 1375218115 /nfs/dbraw/zinc/21/81/15/1375218115.db2.gz ZUEXFRMYKFAVEK-UKRRQHHQSA-N 1 2 335.879 3.416 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)on2)C1 ZINC001132227974 1375223210 /nfs/dbraw/zinc/22/32/10/1375223210.db2.gz JVJXHQSTCLWSPI-WBVHZDCISA-N 1 2 331.460 3.036 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc(C)on2)C1 ZINC001132227974 1375223218 /nfs/dbraw/zinc/22/32/18/1375223218.db2.gz JVJXHQSTCLWSPI-WBVHZDCISA-N 1 2 331.460 3.036 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc3n(n2)CCCC3)C1 ZINC001132255658 1375249213 /nfs/dbraw/zinc/24/92/13/1375249213.db2.gz CTUZZCJHQZVCGI-IRXDYDNUSA-N 1 2 344.503 3.045 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc3n(n2)CCCC3)C1 ZINC001132255658 1375249217 /nfs/dbraw/zinc/24/92/17/1375249217.db2.gz CTUZZCJHQZVCGI-IRXDYDNUSA-N 1 2 344.503 3.045 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3ccc(F)cn3)C2)CC1 ZINC001132292953 1375273971 /nfs/dbraw/zinc/27/39/71/1375273971.db2.gz WRBWYXFSUVZGEF-QAPCUYQASA-N 1 2 345.462 3.436 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3ccc(F)cn3)C2)CC1 ZINC001132292953 1375273976 /nfs/dbraw/zinc/27/39/76/1375273976.db2.gz WRBWYXFSUVZGEF-QAPCUYQASA-N 1 2 345.462 3.436 20 30 EGEDLO Cc1cc(C#N)cc(C)c1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226522254 1375274673 /nfs/dbraw/zinc/27/46/73/1375274673.db2.gz VCKADSSKYWVEIK-FQEVSTJZSA-N 1 2 336.435 3.455 20 30 EGEDLO Cc1cc(C#N)cc(C)c1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226522254 1375274677 /nfs/dbraw/zinc/27/46/77/1375274677.db2.gz VCKADSSKYWVEIK-FQEVSTJZSA-N 1 2 336.435 3.455 20 30 EGEDLO COc1c(F)ccc(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1F ZINC001227889521 1375487523 /nfs/dbraw/zinc/48/75/23/1375487523.db2.gz KHMOSSHSRSGBHD-OAHLLOKOSA-N 1 2 344.361 3.498 20 30 EGEDLO COc1c(F)ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1F ZINC001227889521 1375487526 /nfs/dbraw/zinc/48/75/26/1375487526.db2.gz KHMOSSHSRSGBHD-OAHLLOKOSA-N 1 2 344.361 3.498 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC1CC[NH+]([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC001228801397 1375682421 /nfs/dbraw/zinc/68/24/21/1375682421.db2.gz NLBFHHGPRBMGTD-UONOGXRCSA-N 1 2 346.475 3.191 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC1CC[NH+]([C@H](C)c2nc(C3CC3)no2)CC1 ZINC001228810582 1375684406 /nfs/dbraw/zinc/68/44/06/1375684406.db2.gz XKUTVQDWXYRJAA-ZIAGYGMSSA-N 1 2 346.475 3.191 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC1CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC001228810574 1375684931 /nfs/dbraw/zinc/68/49/31/1375684931.db2.gz XEGVOQWBSFPTAI-OAHLLOKOSA-N 1 2 345.487 3.236 20 30 EGEDLO C=CCCCC(=O)NC1CC[NH+](Cc2cc(C(C)(C)C)on2)CC1 ZINC001228927416 1375717901 /nfs/dbraw/zinc/71/79/01/1375717901.db2.gz AWRMGOXJWCVTRZ-UHFFFAOYSA-N 1 2 333.476 3.409 20 30 EGEDLO Cc1nc(O[C@H]2CCOC[C@@H]2C)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229767773 1375889901 /nfs/dbraw/zinc/88/99/01/1375889901.db2.gz GXTZVCWBWRRZTR-UGSOOPFHSA-N 1 2 348.406 3.380 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H](C)[C@H](C)CC)CC1 ZINC001229776787 1375893169 /nfs/dbraw/zinc/89/31/69/1375893169.db2.gz VLRUDTUBTINSBG-YPMHNXCESA-N 1 2 331.298 3.158 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)CCCCCC)CC1 ZINC001230178663 1375956030 /nfs/dbraw/zinc/95/60/30/1375956030.db2.gz JNQZBHXEZZQLHY-UHFFFAOYSA-N 1 2 331.298 3.446 20 30 EGEDLO CCC[N@@H+]1CCO[C@@H]2c3cc(O[C@@H]4CC[C@H](C#N)C4)ccc3OC[C@H]21 ZINC001230424990 1376027021 /nfs/dbraw/zinc/02/70/21/1376027021.db2.gz YJJIMGPRGWRXOQ-QHDJUILOSA-N 1 2 342.439 3.302 20 30 EGEDLO CCC[N@H+]1CCO[C@@H]2c3cc(O[C@@H]4CC[C@H](C#N)C4)ccc3OC[C@H]21 ZINC001230424990 1376027023 /nfs/dbraw/zinc/02/70/23/1376027023.db2.gz YJJIMGPRGWRXOQ-QHDJUILOSA-N 1 2 342.439 3.302 20 30 EGEDLO CCC#C[C@H](C)Oc1ccc2c(c1)[C@H]1OCC[N@@H+](CCC)[C@@H]1CO2 ZINC001230427394 1376028868 /nfs/dbraw/zinc/02/88/68/1376028868.db2.gz OJAUMPWRKHBMTO-QKYXUNIQSA-N 1 2 329.440 3.412 20 30 EGEDLO CCC#C[C@H](C)Oc1ccc2c(c1)[C@H]1OCC[N@H+](CCC)[C@@H]1CO2 ZINC001230427394 1376028874 /nfs/dbraw/zinc/02/88/74/1376028874.db2.gz OJAUMPWRKHBMTO-QKYXUNIQSA-N 1 2 329.440 3.412 20 30 EGEDLO C[C@@H](Oc1cc(F)ccc1C#N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001230638730 1376112962 /nfs/dbraw/zinc/11/29/62/1376112962.db2.gz LEQRMOLFEIABPC-FOIQADDNSA-N 1 2 340.398 3.366 20 30 EGEDLO C[C@@H](Oc1cc(F)ccc1C#N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001230638730 1376112965 /nfs/dbraw/zinc/11/29/65/1376112965.db2.gz LEQRMOLFEIABPC-FOIQADDNSA-N 1 2 340.398 3.366 20 30 EGEDLO C=CCC(CC=C)C(=O)NCCC[N@@H+](CCF)Cc1cccnc1 ZINC001230769479 1376145166 /nfs/dbraw/zinc/14/51/66/1376145166.db2.gz SULBMINQDDXBFX-UHFFFAOYSA-N 1 2 333.451 3.128 20 30 EGEDLO C=CCC(CC=C)C(=O)NCCC[N@H+](CCF)Cc1cccnc1 ZINC001230769479 1376145169 /nfs/dbraw/zinc/14/51/69/1376145169.db2.gz SULBMINQDDXBFX-UHFFFAOYSA-N 1 2 333.451 3.128 20 30 EGEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC001231168785 1376211879 /nfs/dbraw/zinc/21/18/79/1376211879.db2.gz AQXTYTXWQXXNBT-SFHVURJKSA-N 1 2 330.859 3.190 20 30 EGEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001231168785 1376211882 /nfs/dbraw/zinc/21/18/82/1376211882.db2.gz AQXTYTXWQXXNBT-SFHVURJKSA-N 1 2 330.859 3.190 20 30 EGEDLO C[C@@H](C#N)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1c(Cl)oc2ccccc21 ZINC001231294173 1376223112 /nfs/dbraw/zinc/22/31/12/1376223112.db2.gz VTCCZQCTVJUQDQ-QWHCGFSZSA-N 1 2 345.830 3.279 20 30 EGEDLO C[C@@H](C#N)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1c(Cl)oc2ccccc21 ZINC001231294173 1376223124 /nfs/dbraw/zinc/22/31/24/1376223124.db2.gz VTCCZQCTVJUQDQ-QWHCGFSZSA-N 1 2 345.830 3.279 20 30 EGEDLO O=C(C1CC1)N1CC[NH+](Cc2ccccc2C#Cc2ccccc2)CC1 ZINC001231578376 1376268293 /nfs/dbraw/zinc/26/82/93/1376268293.db2.gz LGDFGLOEJROPPG-UHFFFAOYSA-N 1 2 344.458 3.141 20 30 EGEDLO O[C@]1(CF)CC[N@H+](Cc2ccccc2C#Cc2ccccc2)C[C@@H]1F ZINC001231577585 1376269517 /nfs/dbraw/zinc/26/95/17/1376269517.db2.gz YHSLMKIYMHCDGV-SFTDATJTSA-N 1 2 341.401 3.331 20 30 EGEDLO O[C@]1(CF)CC[N@@H+](Cc2ccccc2C#Cc2ccccc2)C[C@@H]1F ZINC001231577585 1376269522 /nfs/dbraw/zinc/26/95/22/1376269522.db2.gz YHSLMKIYMHCDGV-SFTDATJTSA-N 1 2 341.401 3.331 20 30 EGEDLO CC(C)Oc1ncccc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC001231755092 1376316703 /nfs/dbraw/zinc/31/67/03/1376316703.db2.gz PDSHWZRPOPUHRQ-UHFFFAOYSA-N 1 2 336.439 3.063 20 30 EGEDLO Cc1cccnc1N1CC[NH+](Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232111877 1376400493 /nfs/dbraw/zinc/40/04/93/1376400493.db2.gz LAAHUFFZVVCDPO-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C#N)c(Cl)c3)C[C@@H]21 ZINC001232119457 1376403589 /nfs/dbraw/zinc/40/35/89/1376403589.db2.gz ZGDXRCFDWNOLIT-HOCLYGCPSA-N 1 2 347.846 3.263 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)c(Cl)c3)C[C@@H]21 ZINC001232119457 1376403590 /nfs/dbraw/zinc/40/35/90/1376403590.db2.gz ZGDXRCFDWNOLIT-HOCLYGCPSA-N 1 2 347.846 3.263 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1nc(Cl)ccc1F)C2 ZINC001232158642 1376411343 /nfs/dbraw/zinc/41/13/43/1376411343.db2.gz LSNJLZUYIZBPSQ-SUMWQHHRSA-N 1 2 340.826 3.200 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1nc(Cl)ccc1F)C2 ZINC001232158642 1376411345 /nfs/dbraw/zinc/41/13/45/1376411345.db2.gz LSNJLZUYIZBPSQ-SUMWQHHRSA-N 1 2 340.826 3.200 20 30 EGEDLO C#CC1CC[NH+](Cc2ccc(I)c(F)c2)CC1 ZINC001232492068 1376467253 /nfs/dbraw/zinc/46/72/53/1376467253.db2.gz KXWLQYYZEYEZCF-UHFFFAOYSA-N 1 2 343.183 3.276 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(C)cc1C#N)CCO2 ZINC001232966597 1376550673 /nfs/dbraw/zinc/55/06/73/1376550673.db2.gz SJOPQNMQGNAJAF-LEWJYISDSA-N 1 2 340.467 3.440 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccc(C)cc1C#N)CCO2 ZINC001232966597 1376550679 /nfs/dbraw/zinc/55/06/79/1376550679.db2.gz SJOPQNMQGNAJAF-LEWJYISDSA-N 1 2 340.467 3.440 20 30 EGEDLO N#Cc1cc[nH]c1C[N@H+]1CCCN(c2ncccc2C(F)(F)F)CC1 ZINC001233046594 1376560141 /nfs/dbraw/zinc/56/01/41/1376560141.db2.gz CWJOXXCBRGHXIT-UHFFFAOYSA-N 1 2 349.360 3.012 20 30 EGEDLO N#Cc1cc[nH]c1C[N@@H+]1CCCN(c2ncccc2C(F)(F)F)CC1 ZINC001233046594 1376560143 /nfs/dbraw/zinc/56/01/43/1376560143.db2.gz CWJOXXCBRGHXIT-UHFFFAOYSA-N 1 2 349.360 3.012 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(O)c1 ZINC001233387018 1376633379 /nfs/dbraw/zinc/63/33/79/1376633379.db2.gz QQNHDPLHYQJOCM-JOCHJYFZSA-N 1 2 347.462 3.362 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c([O-])c1 ZINC001233387018 1376633401 /nfs/dbraw/zinc/63/34/01/1376633401.db2.gz QQNHDPLHYQJOCM-JOCHJYFZSA-N 1 2 347.462 3.362 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c([O-])c1 ZINC001233387018 1376633404 /nfs/dbraw/zinc/63/34/04/1376633404.db2.gz QQNHDPLHYQJOCM-JOCHJYFZSA-N 1 2 347.462 3.362 20 30 EGEDLO N#Cc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c([O-])c1 ZINC001233387018 1376633408 /nfs/dbraw/zinc/63/34/08/1376633408.db2.gz QQNHDPLHYQJOCM-JOCHJYFZSA-N 1 2 347.462 3.362 20 30 EGEDLO N#Cc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c([O-])c1 ZINC001233387018 1376633413 /nfs/dbraw/zinc/63/34/13/1376633413.db2.gz QQNHDPLHYQJOCM-JOCHJYFZSA-N 1 2 347.462 3.362 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)c1cc(F)ccc1F ZINC001233915313 1376736390 /nfs/dbraw/zinc/73/63/90/1376736390.db2.gz MYZSMIRFVPNADD-GDBMZVCRSA-N 1 2 334.410 3.362 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)c1cc(F)ccc1F ZINC001233915313 1376736393 /nfs/dbraw/zinc/73/63/93/1376736393.db2.gz MYZSMIRFVPNADD-GDBMZVCRSA-N 1 2 334.410 3.362 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001233967074 1376745901 /nfs/dbraw/zinc/74/59/01/1376745901.db2.gz URLTWOUBOLAOBT-LJQANCHMSA-N 1 2 342.870 3.028 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001233967074 1376745908 /nfs/dbraw/zinc/74/59/08/1376745908.db2.gz URLTWOUBOLAOBT-LJQANCHMSA-N 1 2 342.870 3.028 20 30 EGEDLO CC/C(C)=C\C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001234142080 1376776551 /nfs/dbraw/zinc/77/65/51/1376776551.db2.gz SBSBVQVJMIHNRM-DZXKJOIRSA-N 1 2 329.419 3.086 20 30 EGEDLO CC/C(C)=C\C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001234142080 1376776552 /nfs/dbraw/zinc/77/65/52/1376776552.db2.gz SBSBVQVJMIHNRM-DZXKJOIRSA-N 1 2 329.419 3.086 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CCc1c(F)cccc1F)C(=O)C#CC(C)(C)C ZINC001234215033 1376788611 /nfs/dbraw/zinc/78/86/11/1376788611.db2.gz HXYYEGHJTBZIDR-OAHLLOKOSA-N 1 2 348.437 3.090 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CCc1c(F)cccc1F)C(=O)C#CC(C)(C)C ZINC001234215033 1376788613 /nfs/dbraw/zinc/78/86/13/1376788613.db2.gz HXYYEGHJTBZIDR-OAHLLOKOSA-N 1 2 348.437 3.090 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(F)(F)C(F)F ZINC001135180400 1376953233 /nfs/dbraw/zinc/95/32/33/1376953233.db2.gz GRCJUPQWTDBJIL-MNOVXSKESA-N 1 2 326.378 3.362 20 30 EGEDLO CCc1cc(C[NH+]2CCN(c3ncccc3Cl)CC2)ccc1C#N ZINC001238777641 1377001800 /nfs/dbraw/zinc/00/18/00/1377001800.db2.gz FABBPXHGKCXMBI-UHFFFAOYSA-N 1 2 340.858 3.491 20 30 EGEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(-c2c[nH+]c(N)c(C)c2)n1 ZINC001245537971 1377047131 /nfs/dbraw/zinc/04/71/31/1377047131.db2.gz MXDYMUZMNGHEPA-KRYRSDKMSA-N 1 2 330.457 3.224 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cnn(C(C)C)c1)CCO2 ZINC001137077828 1377474008 /nfs/dbraw/zinc/47/40/08/1377474008.db2.gz LIGJFPVPDKQJCT-RBUKOAKNSA-N 1 2 333.476 3.038 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cnn(C(C)C)c1)CCO2 ZINC001137077828 1377474009 /nfs/dbraw/zinc/47/40/09/1377474009.db2.gz LIGJFPVPDKQJCT-RBUKOAKNSA-N 1 2 333.476 3.038 20 30 EGEDLO COc1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)c(C#N)c1 ZINC001137703642 1377599066 /nfs/dbraw/zinc/59/90/66/1377599066.db2.gz SENYPHBFWIVTCI-UHFFFAOYSA-N 1 2 339.414 3.024 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)COc2ccc(C)cc2C)C1 ZINC001270659681 1377609757 /nfs/dbraw/zinc/60/97/57/1377609757.db2.gz VZNPOTHHTRBJDT-SFHVURJKSA-N 1 2 336.863 3.015 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)COc2ccc(C)cc2C)C1 ZINC001270659681 1377609759 /nfs/dbraw/zinc/60/97/59/1377609759.db2.gz VZNPOTHHTRBJDT-SFHVURJKSA-N 1 2 336.863 3.015 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1cc(C)ccc1OC ZINC001138486350 1377731638 /nfs/dbraw/zinc/73/16/38/1377731638.db2.gz OVLNYBGDNZLFTF-GOSISDBHSA-N 1 2 341.455 3.039 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1cc(C)ccc1OC ZINC001138486350 1377731639 /nfs/dbraw/zinc/73/16/39/1377731639.db2.gz OVLNYBGDNZLFTF-GOSISDBHSA-N 1 2 341.455 3.039 20 30 EGEDLO C#CCOc1ccc(C[NH+]2CCN(c3ncccc3Cl)CC2)cc1 ZINC001138557201 1377741618 /nfs/dbraw/zinc/74/16/18/1377741618.db2.gz BBPDKRJHMQTVLN-UHFFFAOYSA-N 1 2 341.842 3.069 20 30 EGEDLO C#CC[NH+]1CCN(Cc2cc3cccc(CC)c3nc2Cl)CC1 ZINC001138729664 1377775357 /nfs/dbraw/zinc/77/53/57/1377775357.db2.gz LGGYGSXOMJKGGW-UHFFFAOYSA-N 1 2 327.859 3.201 20 30 EGEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2c[nH]c3c2cccc3Cl)CC1 ZINC001138837157 1377793668 /nfs/dbraw/zinc/79/36/68/1377793668.db2.gz XXJFRZLUGBHEHM-UHFFFAOYSA-N 1 2 345.830 3.490 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(F)cnc1Cl)C2 ZINC001138892677 1377800837 /nfs/dbraw/zinc/80/08/37/1377800837.db2.gz USCOSHNWLURSCC-DOTOQJQBSA-N 1 2 340.826 3.200 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(F)cnc1Cl)C2 ZINC001138892677 1377800838 /nfs/dbraw/zinc/80/08/38/1377800838.db2.gz USCOSHNWLURSCC-DOTOQJQBSA-N 1 2 340.826 3.200 20 30 EGEDLO C=CCOc1ccccc1C[N@@H+]1Cc2c(cnn2C)[C@@H](COCC)C1 ZINC001139028906 1377819731 /nfs/dbraw/zinc/81/97/31/1377819731.db2.gz IGEQSEYBXQEULF-QGZVFWFLSA-N 1 2 341.455 3.121 20 30 EGEDLO C=CCOc1ccccc1C[N@H+]1Cc2c(cnn2C)[C@@H](COCC)C1 ZINC001139028906 1377819732 /nfs/dbraw/zinc/81/97/32/1377819732.db2.gz IGEQSEYBXQEULF-QGZVFWFLSA-N 1 2 341.455 3.121 20 30 EGEDLO N#Cc1cccc2c(CN3CC[C@@H]([NH+]4CCCC4)C(F)(F)C3)c[nH]c21 ZINC001139707895 1377938995 /nfs/dbraw/zinc/93/89/95/1377938995.db2.gz XPOIEWAKOHMUMO-QGZVFWFLSA-N 1 2 344.409 3.345 20 30 EGEDLO Cc1ccc(C[N@@H+]2CC[C@](F)(CNC(=O)OC(C)(C)C)C2)cc1C#N ZINC001139727292 1377942548 /nfs/dbraw/zinc/94/25/48/1377942548.db2.gz MLOHLMVSHWMONE-IBGZPJMESA-N 1 2 347.434 3.305 20 30 EGEDLO Cc1ccc(C[N@H+]2CC[C@](F)(CNC(=O)OC(C)(C)C)C2)cc1C#N ZINC001139727292 1377942553 /nfs/dbraw/zinc/94/25/53/1377942553.db2.gz MLOHLMVSHWMONE-IBGZPJMESA-N 1 2 347.434 3.305 20 30 EGEDLO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+]2Cc1cc(F)cc(C#N)c1 ZINC001139877541 1377970158 /nfs/dbraw/zinc/97/01/58/1377970158.db2.gz NKERBPQYMNHBJN-UHFFFAOYSA-N 1 2 345.418 3.283 20 30 EGEDLO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+]2Cc1cc(F)cc(C#N)c1 ZINC001139877541 1377970159 /nfs/dbraw/zinc/97/01/59/1377970159.db2.gz NKERBPQYMNHBJN-UHFFFAOYSA-N 1 2 345.418 3.283 20 30 EGEDLO COc1ccc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)cc1OCC1CC1 ZINC001140488927 1378071012 /nfs/dbraw/zinc/07/10/12/1378071012.db2.gz SZSPYWFWGKAWLZ-GOSISDBHSA-N 1 2 345.464 3.258 20 30 EGEDLO COc1ccc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)cc1OCC1CC1 ZINC001140488927 1378071013 /nfs/dbraw/zinc/07/10/13/1378071013.db2.gz SZSPYWFWGKAWLZ-GOSISDBHSA-N 1 2 345.464 3.258 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCC(C(=O)c3ccc(F)cc3F)CC2)cn1 ZINC001140544388 1378081367 /nfs/dbraw/zinc/08/13/67/1378081367.db2.gz MWWVREAKAZHKDL-UHFFFAOYSA-N 1 2 341.361 3.326 20 30 EGEDLO C=CCN1C[C@@]2(F)C[N@@H+](CCc3ccc(C(C)C)cc3)C[C@@]2(F)C1=O ZINC001273040715 1378085401 /nfs/dbraw/zinc/08/54/01/1378085401.db2.gz DTNAZBLEVUJNFO-VQTJNVASSA-N 1 2 348.437 3.113 20 30 EGEDLO C=CCN1C[C@@]2(F)C[N@H+](CCc3ccc(C(C)C)cc3)C[C@@]2(F)C1=O ZINC001273040715 1378085402 /nfs/dbraw/zinc/08/54/02/1378085402.db2.gz DTNAZBLEVUJNFO-VQTJNVASSA-N 1 2 348.437 3.113 20 30 EGEDLO N#Cc1c(F)cc(CN2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)cc1F ZINC001140755613 1378130359 /nfs/dbraw/zinc/13/03/59/1378130359.db2.gz MRLCFMHYRMRVQG-MRXNPFEDSA-N 1 2 341.352 3.142 20 30 EGEDLO N#Cc1c(F)cc(C[NH+]2CCC(Oc3ccccn3)CC2)cc1F ZINC001140753499 1378130683 /nfs/dbraw/zinc/13/06/83/1378130683.db2.gz IAQYZTREXHNQGV-UHFFFAOYSA-N 1 2 329.350 3.275 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1C#N)C2 ZINC001141164889 1378256606 /nfs/dbraw/zinc/25/66/06/1378256606.db2.gz MHXLBRULWKGKEV-RTBURBONSA-N 1 2 330.403 3.023 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(F)cc1C#N)C2 ZINC001141164889 1378256618 /nfs/dbraw/zinc/25/66/18/1378256618.db2.gz MHXLBRULWKGKEV-RTBURBONSA-N 1 2 330.403 3.023 20 30 EGEDLO COc1ccccc1O[C@@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC001141165103 1378257374 /nfs/dbraw/zinc/25/73/74/1378257374.db2.gz UGAMCDDCDSLBSQ-QGZVFWFLSA-N 1 2 326.371 3.359 20 30 EGEDLO COc1ccccc1O[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC001141165103 1378257378 /nfs/dbraw/zinc/25/73/78/1378257378.db2.gz UGAMCDDCDSLBSQ-QGZVFWFLSA-N 1 2 326.371 3.359 20 30 EGEDLO COC[C@H]1COCC[N@@H+]1Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141295848 1378293357 /nfs/dbraw/zinc/29/33/57/1378293357.db2.gz NTRVFLFUXVJGEI-SFHVURJKSA-N 1 2 338.407 3.198 20 30 EGEDLO COC[C@H]1COCC[N@H+]1Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141295848 1378293363 /nfs/dbraw/zinc/29/33/63/1378293363.db2.gz NTRVFLFUXVJGEI-SFHVURJKSA-N 1 2 338.407 3.198 20 30 EGEDLO COC[C@@H]1COCC[N@@H+]1Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141295847 1378293637 /nfs/dbraw/zinc/29/36/37/1378293637.db2.gz NTRVFLFUXVJGEI-GOSISDBHSA-N 1 2 338.407 3.198 20 30 EGEDLO COC[C@@H]1COCC[N@H+]1Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141295847 1378293639 /nfs/dbraw/zinc/29/36/39/1378293639.db2.gz NTRVFLFUXVJGEI-GOSISDBHSA-N 1 2 338.407 3.198 20 30 EGEDLO N#Cc1ccc(Br)cc1C[NH+]1CCC(n2cccn2)CC1 ZINC001141904750 1378392217 /nfs/dbraw/zinc/39/22/17/1378392217.db2.gz BUCBCOGJOSZTAC-UHFFFAOYSA-N 1 2 345.244 3.354 20 30 EGEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143171245 1378553762 /nfs/dbraw/zinc/55/37/62/1378553762.db2.gz UZSNJFUNYPSEDF-CYBMUJFWSA-N 1 2 336.382 3.390 20 30 EGEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143171245 1378553766 /nfs/dbraw/zinc/55/37/66/1378553766.db2.gz UZSNJFUNYPSEDF-CYBMUJFWSA-N 1 2 336.382 3.390 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1cc(C)c(F)c(C)c1 ZINC001143380082 1378590019 /nfs/dbraw/zinc/59/00/19/1378590019.db2.gz YOBPBFGAIRKZBK-GOSISDBHSA-N 1 2 343.446 3.478 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1cc(C)c(F)c(C)c1 ZINC001143380082 1378590026 /nfs/dbraw/zinc/59/00/26/1378590026.db2.gz YOBPBFGAIRKZBK-GOSISDBHSA-N 1 2 343.446 3.478 20 30 EGEDLO N#Cc1cncc(C[NH+]2CCC(C(=O)c3ccc(F)cc3F)CC2)c1 ZINC001144079178 1378680717 /nfs/dbraw/zinc/68/07/17/1378680717.db2.gz CPXWNAMTNBHUBT-UHFFFAOYSA-N 1 2 341.361 3.326 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)[C@@H](C)CCCC)C2)C1 ZINC001147467491 1379027231 /nfs/dbraw/zinc/02/72/31/1379027231.db2.gz KLDFQZOLDZSEQW-ZDUSSCGKSA-N 1 2 343.309 3.256 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C)CCCC)C2)C1 ZINC001147467491 1379027234 /nfs/dbraw/zinc/02/72/34/1379027234.db2.gz KLDFQZOLDZSEQW-ZDUSSCGKSA-N 1 2 343.309 3.256 20 30 EGEDLO C=CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C(C)(C)C)o1)C2 ZINC001148181632 1379129828 /nfs/dbraw/zinc/12/98/28/1379129828.db2.gz RPSKBAFDGACGGF-UHFFFAOYSA-N 1 2 345.487 3.363 20 30 EGEDLO C=CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C(C)(C)C)o1)C2 ZINC001148181632 1379129829 /nfs/dbraw/zinc/12/98/29/1379129829.db2.gz RPSKBAFDGACGGF-UHFFFAOYSA-N 1 2 345.487 3.363 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@@H+](Cc1csc(CC)n1)C2 ZINC001148371917 1379158126 /nfs/dbraw/zinc/15/81/26/1379158126.db2.gz RYSIWQPKGAZAOA-UHFFFAOYSA-N 1 2 347.528 3.342 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@H+](Cc1csc(CC)n1)C2 ZINC001148371917 1379158127 /nfs/dbraw/zinc/15/81/27/1379158127.db2.gz RYSIWQPKGAZAOA-UHFFFAOYSA-N 1 2 347.528 3.342 20 30 EGEDLO C=CC1(CC(=O)N2CC3(C2)CC[N@H+](Cc2ccon2)C3)CCCCC1 ZINC001148436354 1379171895 /nfs/dbraw/zinc/17/18/95/1379171895.db2.gz VFYRCZAENFZYDN-UHFFFAOYSA-N 1 2 343.471 3.236 20 30 EGEDLO C=CC1(CC(=O)N2CC3(C2)CC[N@@H+](Cc2ccon2)C3)CCCCC1 ZINC001148436354 1379171904 /nfs/dbraw/zinc/17/19/04/1379171904.db2.gz VFYRCZAENFZYDN-UHFFFAOYSA-N 1 2 343.471 3.236 20 30 EGEDLO Cc1[nH+]c[nH]c1CSCCNC(=O)c1cccc([C@H](C)C#N)c1 ZINC001148623577 1379228188 /nfs/dbraw/zinc/22/81/88/1379228188.db2.gz XKJLVQIMYFESFU-GFCCVEGCSA-N 1 2 328.441 3.008 20 30 EGEDLO CCCCCCCCCC(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001148820129 1379275568 /nfs/dbraw/zinc/27/55/68/1379275568.db2.gz DEOAOISOBDBKDU-UHFFFAOYSA-N 1 2 336.480 3.294 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C(CCC)CCC)C1 ZINC001150192645 1379511989 /nfs/dbraw/zinc/51/19/89/1379511989.db2.gz HYECOHBCMPOSCD-MRXNPFEDSA-N 1 2 330.900 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C(CCC)CCC)C1 ZINC001150192645 1379511992 /nfs/dbraw/zinc/51/19/92/1379511992.db2.gz HYECOHBCMPOSCD-MRXNPFEDSA-N 1 2 330.900 3.162 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C)CC(C)(C)C)C1 ZINC001150410541 1379550666 /nfs/dbraw/zinc/55/06/66/1379550666.db2.gz OGYIIPKBMAYBAG-UKRRQHHQSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H](C)CC(C)(C)C)C1 ZINC001150410541 1379550669 /nfs/dbraw/zinc/55/06/69/1379550669.db2.gz OGYIIPKBMAYBAG-UKRRQHHQSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C(CC)(CC)CC)C1 ZINC001150527405 1379561694 /nfs/dbraw/zinc/56/16/94/1379561694.db2.gz OXRWPERPRSVKLZ-HNNXBMFYSA-N 1 2 330.900 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C(CC)(CC)CC)C1 ZINC001150527405 1379561698 /nfs/dbraw/zinc/56/16/98/1379561698.db2.gz OXRWPERPRSVKLZ-HNNXBMFYSA-N 1 2 330.900 3.162 20 30 EGEDLO C=CCC1(C(=O)NCC[NH2+]Cc2nc(CCC(C)C)no2)CCCC1 ZINC001153809643 1380133583 /nfs/dbraw/zinc/13/35/83/1380133583.db2.gz UGSGKSUWGJARBE-UHFFFAOYSA-N 1 2 348.491 3.001 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)c2cccc3nc(-c4ccccc4)[nH]c32)CC1 ZINC001154487029 1380287393 /nfs/dbraw/zinc/28/73/93/1380287393.db2.gz RBKSMZXTCVQHJQ-UHFFFAOYSA-N 1 2 346.434 3.174 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1csnc1OC ZINC001154584809 1380310802 /nfs/dbraw/zinc/31/08/02/1380310802.db2.gz ZCPANPSRUIEPAO-CYBMUJFWSA-N 1 2 339.505 3.081 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1csnc1OC ZINC001154584809 1380310805 /nfs/dbraw/zinc/31/08/05/1380310805.db2.gz ZCPANPSRUIEPAO-CYBMUJFWSA-N 1 2 339.505 3.081 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@]1(C)C=CCC1 ZINC001154683417 1380331126 /nfs/dbraw/zinc/33/11/26/1380331126.db2.gz ZGVHOJRWVRPPJB-HIFRSBDPSA-N 1 2 329.282 3.078 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@@]1(C)C=CCC1 ZINC001154683417 1380331127 /nfs/dbraw/zinc/33/11/27/1380331127.db2.gz ZGVHOJRWVRPPJB-HIFRSBDPSA-N 1 2 329.282 3.078 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ncoc1C(C)C ZINC001154719828 1380339587 /nfs/dbraw/zinc/33/95/87/1380339587.db2.gz MSRQZGIWLHIUJK-MRXNPFEDSA-N 1 2 333.476 3.318 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncoc1C(C)C ZINC001154719828 1380339591 /nfs/dbraw/zinc/33/95/91/1380339591.db2.gz MSRQZGIWLHIUJK-MRXNPFEDSA-N 1 2 333.476 3.318 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[N@H+](CC)Cc1coc(C2CC2)n1 ZINC001155072972 1380403235 /nfs/dbraw/zinc/40/32/35/1380403235.db2.gz QPEAJXWRJWHPJF-KUHUBIRLSA-N 1 2 333.476 3.481 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1coc(C2CC2)n1 ZINC001155072972 1380403236 /nfs/dbraw/zinc/40/32/36/1380403236.db2.gz QPEAJXWRJWHPJF-KUHUBIRLSA-N 1 2 333.476 3.481 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C(C)(F)F ZINC001155288817 1380433671 /nfs/dbraw/zinc/43/36/71/1380433671.db2.gz AOOYEGKGNZQIAZ-GHMZBOCLSA-N 1 2 341.240 3.013 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C(C)(F)F ZINC001155288817 1380433672 /nfs/dbraw/zinc/43/36/72/1380433672.db2.gz AOOYEGKGNZQIAZ-GHMZBOCLSA-N 1 2 341.240 3.013 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccco1 ZINC001157450054 1380902066 /nfs/dbraw/zinc/90/20/66/1380902066.db2.gz MLDFNQULKUCRJT-CYBMUJFWSA-N 1 2 341.249 3.115 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccco1 ZINC001157450054 1380902100 /nfs/dbraw/zinc/90/21/00/1380902100.db2.gz MLDFNQULKUCRJT-CYBMUJFWSA-N 1 2 341.249 3.115 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccon1 ZINC001157994341 1381095650 /nfs/dbraw/zinc/09/56/50/1381095650.db2.gz KVXIATIXUCQVLR-GOSISDBHSA-N 1 2 331.460 3.256 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccon1 ZINC001157994341 1381095656 /nfs/dbraw/zinc/09/56/56/1381095656.db2.gz KVXIATIXUCQVLR-GOSISDBHSA-N 1 2 331.460 3.256 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CCC2(C)CC2)C[C@@H]1C ZINC001328280775 1388711407 /nfs/dbraw/zinc/71/14/07/1388711407.db2.gz VAQKQOHIGNCKHK-KBPBESRZSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CCC2(C)CC2)C[C@@H]1C ZINC001328280775 1388711410 /nfs/dbraw/zinc/71/14/10/1388711410.db2.gz VAQKQOHIGNCKHK-KBPBESRZSA-N 1 2 343.309 3.444 20 30 EGEDLO N#CC1(c2ccc(N3CC[C@H]([NH+]4CCCC4)C(F)(F)C3)nc2)CCC1 ZINC001158621785 1381326183 /nfs/dbraw/zinc/32/61/83/1381326183.db2.gz JHCQGVJBVJEQBM-INIZCTEOSA-N 1 2 346.425 3.337 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC[NH2+]Cc1noc(C2CCCCC2)n1 ZINC001158887229 1381450021 /nfs/dbraw/zinc/45/00/21/1381450021.db2.gz SFHPIORSLWZCNA-UHFFFAOYSA-N 1 2 348.491 3.316 20 30 EGEDLO Cc1nc(N2CCC(C#N)(c3ccccc3F)CC2)c2c([nH+]1)CCC2 ZINC001158889092 1381450323 /nfs/dbraw/zinc/45/03/23/1381450323.db2.gz JTUWYJUVUZFKAO-UHFFFAOYSA-N 1 2 336.414 3.475 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)CCC(C)C)CC1 ZINC001159193100 1381725798 /nfs/dbraw/zinc/72/57/98/1381725798.db2.gz HFCZFUYYDJSHTQ-UHFFFAOYSA-N 1 2 343.309 3.470 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)CCC(C)C)CC1 ZINC001159193100 1381725802 /nfs/dbraw/zinc/72/58/02/1381725802.db2.gz HFCZFUYYDJSHTQ-UHFFFAOYSA-N 1 2 343.309 3.470 20 30 EGEDLO CC(C)(C)COS(=O)(=O)c1ccc(Nc2ccc(N)[nH+]c2)cc1 ZINC001159281989 1381750758 /nfs/dbraw/zinc/75/07/58/1381750758.db2.gz KMJZGIUWRXEKSX-UHFFFAOYSA-N 1 2 335.429 3.159 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)C=C2CCC2)CC1 ZINC001159760099 1381891555 /nfs/dbraw/zinc/89/15/55/1381891555.db2.gz LCQFLIKSFZMLAO-UHFFFAOYSA-N 1 2 339.277 3.144 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)C=C2CCC2)CC1 ZINC001159760099 1381891557 /nfs/dbraw/zinc/89/15/57/1381891557.db2.gz LCQFLIKSFZMLAO-UHFFFAOYSA-N 1 2 339.277 3.144 20 30 EGEDLO CC(C)C#CC(=O)NCCC1=CC[N@H+](Cc2ncc(C(C)C)o2)CC1 ZINC001160062480 1381986681 /nfs/dbraw/zinc/98/66/81/1381986681.db2.gz KQYZQWSEUDBNSQ-UHFFFAOYSA-N 1 2 343.471 3.096 20 30 EGEDLO CC(C)C#CC(=O)NCCC1=CC[N@@H+](Cc2ncc(C(C)C)o2)CC1 ZINC001160062480 1381986684 /nfs/dbraw/zinc/98/66/84/1381986684.db2.gz KQYZQWSEUDBNSQ-UHFFFAOYSA-N 1 2 343.471 3.096 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@H+](Cc2coc(C)n2)CC1 ZINC001160856258 1382217453 /nfs/dbraw/zinc/21/74/53/1382217453.db2.gz JHWDPBKFTJZCAP-UHFFFAOYSA-N 1 2 331.460 3.224 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2coc(C)n2)CC1 ZINC001160856258 1382217457 /nfs/dbraw/zinc/21/74/57/1382217457.db2.gz JHWDPBKFTJZCAP-UHFFFAOYSA-N 1 2 331.460 3.224 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@H+](Cc2ncc(C)o2)CC1 ZINC001161116361 1382304371 /nfs/dbraw/zinc/30/43/71/1382304371.db2.gz FNEURRPDENGHNO-LJQANCHMSA-N 1 2 331.460 3.224 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@@H+](Cc2ncc(C)o2)CC1 ZINC001161116361 1382304373 /nfs/dbraw/zinc/30/43/73/1382304373.db2.gz FNEURRPDENGHNO-LJQANCHMSA-N 1 2 331.460 3.224 20 30 EGEDLO CC(C)n1c[nH+]cc1CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC001161569992 1382441889 /nfs/dbraw/zinc/44/18/89/1382441889.db2.gz SKNDECIXWSHLQS-UHFFFAOYSA-N 1 2 336.355 3.404 20 30 EGEDLO C=CCCC(=O)NCC1(COC)CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC001162150844 1382641152 /nfs/dbraw/zinc/64/11/52/1382641152.db2.gz GGLYNNGOQAXQLG-UVTDQMKNSA-N 1 2 349.302 3.116 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCC1(C[NH2+]CC(F)(F)C(F)F)CC1 ZINC001166703679 1383463714 /nfs/dbraw/zinc/46/37/14/1383463714.db2.gz IVOMWOQJIKPSJM-NWDGAFQWSA-N 1 2 338.389 3.221 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1(C[NH2+]Cc2noc(CCC)n2)CC1 ZINC001166745804 1383469789 /nfs/dbraw/zinc/46/97/89/1383469789.db2.gz BTEWLTHSLAJKQZ-HNNXBMFYSA-N 1 2 348.491 3.001 20 30 EGEDLO N#Cc1c(Cl)nc2cccc(F)c2c1NCc1cc[nH+]c(N)c1 ZINC001167617387 1383689504 /nfs/dbraw/zinc/68/95/04/1383689504.db2.gz LOMSYKZXOUIIHS-UHFFFAOYSA-N 1 2 327.750 3.488 20 30 EGEDLO Cn1cc(-c2cc(CNc3cc(C4(C#N)CC4)cc[nH+]3)ccn2)cn1 ZINC001170124068 1384241783 /nfs/dbraw/zinc/24/17/83/1384241783.db2.gz CCTOUYJUCZUIEE-UHFFFAOYSA-N 1 2 330.395 3.044 20 30 EGEDLO COC(=O)[C@@H](Cc1cccc(F)c1)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171192526 1384465506 /nfs/dbraw/zinc/46/55/06/1384465506.db2.gz NPWSGKYTSUGCPZ-AUUYWEPGSA-N 1 2 340.398 3.002 20 30 EGEDLO CCOCc1cnc2n1CC[N@H+]([C@H](C)Cc1ccc(C#N)cc1)[C@@H]2C ZINC001172305803 1384764689 /nfs/dbraw/zinc/76/46/89/1384764689.db2.gz UOUAQWCAQSVHIA-HZPDHXFCSA-N 1 2 338.455 3.299 20 30 EGEDLO CCOCc1cnc2n1CC[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)[C@@H]2C ZINC001172305803 1384764694 /nfs/dbraw/zinc/76/46/94/1384764694.db2.gz UOUAQWCAQSVHIA-HZPDHXFCSA-N 1 2 338.455 3.299 20 30 EGEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC001172311779 1384766187 /nfs/dbraw/zinc/76/61/87/1384766187.db2.gz XURCPMMEXPRHBH-WMLDXEAASA-N 1 2 329.444 3.388 20 30 EGEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC001172311779 1384766189 /nfs/dbraw/zinc/76/61/89/1384766189.db2.gz XURCPMMEXPRHBH-WMLDXEAASA-N 1 2 329.444 3.388 20 30 EGEDLO C[C@@H]1c2cccn2CC[N@@H+]1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172989540 1384895575 /nfs/dbraw/zinc/89/55/75/1384895575.db2.gz ITERPVWMADDLFY-OAGGEKHMSA-N 1 2 344.459 3.156 20 30 EGEDLO C[C@@H]1c2cccn2CC[N@H+]1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172989540 1384895577 /nfs/dbraw/zinc/89/55/77/1384895577.db2.gz ITERPVWMADDLFY-OAGGEKHMSA-N 1 2 344.459 3.156 20 30 EGEDLO CCCCCCCCC[C@H](CCC)[NH2+][C@H](CC(N)=O)C(=O)OC ZINC001173284785 1384952206 /nfs/dbraw/zinc/95/22/06/1384952206.db2.gz JRMVYGMQTURDNA-JKSUJKDBSA-N 1 2 328.497 3.302 20 30 EGEDLO CCOC(=O)[C@H](CS)[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001173684404 1385003454 /nfs/dbraw/zinc/00/34/54/1385003454.db2.gz MYIBJEPWBNOXDQ-RMXPPQQLSA-N 1 2 333.497 3.264 20 30 EGEDLO N#Cc1sccc1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001174432975 1385108237 /nfs/dbraw/zinc/10/82/37/1385108237.db2.gz WZRYWJKEQHCBFV-UHFFFAOYSA-N 1 2 329.425 3.074 20 30 EGEDLO N#CCc1ccccc1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001174434633 1385108651 /nfs/dbraw/zinc/10/86/51/1385108651.db2.gz OPOMAONJASDHKX-UHFFFAOYSA-N 1 2 337.423 3.207 20 30 EGEDLO COC(=O)c1cc(C#N)cc(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174523945 1385116512 /nfs/dbraw/zinc/11/65/12/1385116512.db2.gz ZJNKYSMQHWWZGP-UHFFFAOYSA-N 1 2 336.395 3.474 20 30 EGEDLO Cc1cccc(CCC(=O)NCC[N@@H+](C)Cc2ccccc2C#N)c1 ZINC001317454292 1385152520 /nfs/dbraw/zinc/15/25/20/1385152520.db2.gz BIBDFRGTRCFOJY-UHFFFAOYSA-N 1 2 335.451 3.048 20 30 EGEDLO Cc1cccc(CCC(=O)NCC[N@H+](C)Cc2ccccc2C#N)c1 ZINC001317454292 1385152521 /nfs/dbraw/zinc/15/25/21/1385152521.db2.gz BIBDFRGTRCFOJY-UHFFFAOYSA-N 1 2 335.451 3.048 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccc2cc(C)ccc2n1 ZINC001320018086 1386454936 /nfs/dbraw/zinc/45/49/36/1386454936.db2.gz BFKOOYNJNWWCPY-UHFFFAOYSA-N 1 2 331.847 3.300 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccc2cc(C)ccc2n1 ZINC001320018086 1386454937 /nfs/dbraw/zinc/45/49/37/1386454937.db2.gz BFKOOYNJNWWCPY-UHFFFAOYSA-N 1 2 331.847 3.300 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccc(-c2cnco2)cc1 ZINC001320021160 1386457653 /nfs/dbraw/zinc/45/76/53/1386457653.db2.gz OKHAUEBJEIMQDC-UHFFFAOYSA-N 1 2 333.819 3.098 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccc(-c2cnco2)cc1 ZINC001320021160 1386457657 /nfs/dbraw/zinc/45/76/57/1386457657.db2.gz OKHAUEBJEIMQDC-UHFFFAOYSA-N 1 2 333.819 3.098 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2nc(C3CCC3)no2)[C@@H]1C ZINC001179384318 1386468963 /nfs/dbraw/zinc/46/89/63/1386468963.db2.gz JFOUTOGFEFAOPI-YCPHGPKFSA-N 1 2 346.475 3.018 20 30 EGEDLO CC[NH+](CC)[C@@H](C(=O)N1CCC[C@@H](C#N)C1)c1ccccc1Cl ZINC001182220792 1387123537 /nfs/dbraw/zinc/12/35/37/1387123537.db2.gz NOGWQEXMJGUEDW-WMLDXEAASA-N 1 2 333.863 3.485 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nc(C(C)C)no2)C1 ZINC001182892934 1387240576 /nfs/dbraw/zinc/24/05/76/1387240576.db2.gz ADSZKYJJZDFWTP-ZIAGYGMSSA-N 1 2 334.464 3.047 20 30 EGEDLO CCN(c1nnc(C2CC[NH+](CCC#N)CC2)n1C)C1CCCCC1 ZINC001338297837 1389621801 /nfs/dbraw/zinc/62/18/01/1389621801.db2.gz OGYIXRGCPSTAMT-UHFFFAOYSA-N 1 2 344.507 3.067 20 30 EGEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCCC[C@H](C)C1 ZINC001339366762 1390008562 /nfs/dbraw/zinc/00/85/62/1390008562.db2.gz DWFPPHRHWIMQMR-INIZCTEOSA-N 1 2 344.507 3.017 20 30 EGEDLO COc1ccccc1-c1nnc(C[NH2+][C@@H](C)c2cccc(C#N)c2)o1 ZINC001333614774 1390355470 /nfs/dbraw/zinc/35/54/70/1390355470.db2.gz OFOPARZWEXZGBV-ZDUSSCGKSA-N 1 2 334.379 3.468 20 30 EGEDLO C=CCCn1cc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)nn1 ZINC001333847857 1390421271 /nfs/dbraw/zinc/42/12/71/1390421271.db2.gz VSZYZPBGIKZZIO-UHFFFAOYSA-N 1 2 337.427 3.375 20 30 EGEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)CCC(C)(C)C ZINC001342019822 1390562742 /nfs/dbraw/zinc/56/27/42/1390562742.db2.gz KTPZOYSUOWYRCW-INIZCTEOSA-N 1 2 349.523 3.118 20 30 EGEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)CCC(C)(C)C ZINC001342019822 1390562744 /nfs/dbraw/zinc/56/27/44/1390562744.db2.gz KTPZOYSUOWYRCW-INIZCTEOSA-N 1 2 349.523 3.118 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCCC2(CC2)C1 ZINC001342225273 1390587401 /nfs/dbraw/zinc/58/74/01/1390587401.db2.gz OFGCMGXIAHNACB-INIZCTEOSA-N 1 2 329.492 3.391 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCCC2(CC2)C1 ZINC001342225273 1390587403 /nfs/dbraw/zinc/58/74/03/1390587403.db2.gz OFGCMGXIAHNACB-INIZCTEOSA-N 1 2 329.492 3.391 20 30 EGEDLO C=C1CCN(c2nnc([C@H]3CCCC[N@@H+]3C)n2CCCOCC)CC1 ZINC001342361000 1390604872 /nfs/dbraw/zinc/60/48/72/1390604872.db2.gz CKSBKTIXEJTGLW-QGZVFWFLSA-N 1 2 347.507 3.018 20 30 EGEDLO C=C1CCN(c2nnc([C@H]3CCCC[N@H+]3C)n2CCCOCC)CC1 ZINC001342361000 1390604874 /nfs/dbraw/zinc/60/48/74/1390604874.db2.gz CKSBKTIXEJTGLW-QGZVFWFLSA-N 1 2 347.507 3.018 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@H](CCC)C1 ZINC001343926994 1390744680 /nfs/dbraw/zinc/74/46/80/1390744680.db2.gz FKRCSNCCEVQAMB-SJORKVTESA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCO[C@H](CCC)C1 ZINC001343926994 1390744681 /nfs/dbraw/zinc/74/46/81/1390744681.db2.gz FKRCSNCCEVQAMB-SJORKVTESA-N 1 2 347.507 3.016 20 30 EGEDLO CC(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC(C)(C#N)CC1 ZINC001344869397 1390820326 /nfs/dbraw/zinc/82/03/26/1390820326.db2.gz BOIUSWKBYCUDPA-INIZCTEOSA-N 1 2 344.507 3.221 20 30 EGEDLO CC(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC(C)(C#N)CC1 ZINC001344869397 1390820327 /nfs/dbraw/zinc/82/03/27/1390820327.db2.gz BOIUSWKBYCUDPA-INIZCTEOSA-N 1 2 344.507 3.221 20 30 EGEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)C1CCCCC1 ZINC001351543403 1391650322 /nfs/dbraw/zinc/65/03/22/1391650322.db2.gz FLINVTRDODWVRQ-KRWDZBQOSA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)C1CCCCC1 ZINC001351543403 1391650325 /nfs/dbraw/zinc/65/03/25/1391650325.db2.gz FLINVTRDODWVRQ-KRWDZBQOSA-N 1 2 347.507 3.015 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC(F)(F)F)C1 ZINC001479420176 1392240923 /nfs/dbraw/zinc/24/09/23/1392240923.db2.gz GDMQTGQPUXJRGJ-UONOGXRCSA-N 1 2 346.780 3.276 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC(F)(F)F)C1 ZINC001479420176 1392240928 /nfs/dbraw/zinc/24/09/28/1392240928.db2.gz GDMQTGQPUXJRGJ-UONOGXRCSA-N 1 2 346.780 3.276 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCc1ccc(C)c(Cl)c1 ZINC001480895211 1393004894 /nfs/dbraw/zinc/00/48/94/1393004894.db2.gz IEASFJUXPCGDEE-UHFFFAOYSA-N 1 2 329.271 3.382 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCc1ccc(C)c(Cl)c1 ZINC001480895211 1393004900 /nfs/dbraw/zinc/00/49/00/1393004900.db2.gz IEASFJUXPCGDEE-UHFFFAOYSA-N 1 2 329.271 3.382 20 30 EGEDLO C[N@H+](CCNC(=O)c1ccc(C2CC2)cc1)Cc1ccccc1C#N ZINC001480950212 1393042362 /nfs/dbraw/zinc/04/23/62/1393042362.db2.gz SONGVPJKTDTGFM-UHFFFAOYSA-N 1 2 333.435 3.297 20 30 EGEDLO C[N@@H+](CCNC(=O)c1ccc(C2CC2)cc1)Cc1ccccc1C#N ZINC001480950212 1393042364 /nfs/dbraw/zinc/04/23/64/1393042364.db2.gz SONGVPJKTDTGFM-UHFFFAOYSA-N 1 2 333.435 3.297 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C1(c2ccccc2C)CC1 ZINC001481073647 1393113808 /nfs/dbraw/zinc/11/38/08/1393113808.db2.gz QBJIOMMIMDCQQF-INIZCTEOSA-N 1 2 332.875 3.360 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C1(c2ccccc2C)CC1 ZINC001481073647 1393113809 /nfs/dbraw/zinc/11/38/09/1393113809.db2.gz QBJIOMMIMDCQQF-INIZCTEOSA-N 1 2 332.875 3.360 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc(-c2cnco2)cc1 ZINC001485319513 1395793780 /nfs/dbraw/zinc/79/37/80/1395793780.db2.gz MREZPFLVCGWMSA-CYBMUJFWSA-N 1 2 333.819 3.144 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccc(-c2cnco2)cc1 ZINC001485319513 1395793789 /nfs/dbraw/zinc/79/37/89/1395793789.db2.gz MREZPFLVCGWMSA-CYBMUJFWSA-N 1 2 333.819 3.144 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCc1cccc(Cl)c1 ZINC001698992777 1406785204 /nfs/dbraw/zinc/78/52/04/1406785204.db2.gz HZLMLEVDLCYHES-UHFFFAOYSA-N 1 2 329.271 3.415 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCc1cccc(Cl)c1 ZINC001698992777 1406785206 /nfs/dbraw/zinc/78/52/06/1406785206.db2.gz HZLMLEVDLCYHES-UHFFFAOYSA-N 1 2 329.271 3.415 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1cccc(OC(C)C)c1 ZINC001498467451 1397019406 /nfs/dbraw/zinc/01/94/06/1397019406.db2.gz YSLQDLHQMVRQAH-OAHLLOKOSA-N 1 2 338.879 3.205 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1cccc(OC(C)C)c1 ZINC001498467451 1397019413 /nfs/dbraw/zinc/01/94/13/1397019413.db2.gz YSLQDLHQMVRQAH-OAHLLOKOSA-N 1 2 338.879 3.205 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)Cc1ccsc1C ZINC001690455646 1404584787 /nfs/dbraw/zinc/58/47/87/1404584787.db2.gz WCLVDCIQHUBTQR-HNNXBMFYSA-N 1 2 326.893 3.322 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)Cc1ccsc1C ZINC001690455646 1404584790 /nfs/dbraw/zinc/58/47/90/1404584790.db2.gz WCLVDCIQHUBTQR-HNNXBMFYSA-N 1 2 326.893 3.322 20 30 EGEDLO CCC1(C(=O)NCC[N@H+](C)Cc2cc(C#N)ccc2F)CCCC1 ZINC001690986328 1404901682 /nfs/dbraw/zinc/90/16/82/1404901682.db2.gz OQVDLGJSBCXFNU-UHFFFAOYSA-N 1 2 331.435 3.216 20 30 EGEDLO CCC1(C(=O)NCC[N@@H+](C)Cc2cc(C#N)ccc2F)CCCC1 ZINC001690986328 1404901685 /nfs/dbraw/zinc/90/16/85/1404901685.db2.gz OQVDLGJSBCXFNU-UHFFFAOYSA-N 1 2 331.435 3.216 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cc1c(F)cccc1Cl)C1CC1 ZINC001691235106 1405174751 /nfs/dbraw/zinc/17/47/51/1405174751.db2.gz IREOWRLPUWDVNX-UHFFFAOYSA-N 1 2 345.245 3.355 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)Cc1c(F)cccc1Cl)C1CC1 ZINC001691235106 1405174752 /nfs/dbraw/zinc/17/47/52/1405174752.db2.gz IREOWRLPUWDVNX-UHFFFAOYSA-N 1 2 345.245 3.355 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F)C(=O)CCC1(C)CC1 ZINC001691411009 1405249921 /nfs/dbraw/zinc/24/99/21/1405249921.db2.gz XOEBVFJQLNCUTK-QGZVFWFLSA-N 1 2 343.446 3.310 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1cc(C#N)ccc1F)C(=O)CCC1(C)CC1 ZINC001691411009 1405249925 /nfs/dbraw/zinc/24/99/25/1405249925.db2.gz XOEBVFJQLNCUTK-QGZVFWFLSA-N 1 2 343.446 3.310 20 30 EGEDLO CCC(C)(CC)C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001698553850 1406151410 /nfs/dbraw/zinc/15/14/10/1406151410.db2.gz PETBCNCVGYVOMF-MRXNPFEDSA-N 1 2 331.435 3.214 20 30 EGEDLO CCC(C)(CC)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001698553850 1406151415 /nfs/dbraw/zinc/15/14/15/1406151415.db2.gz PETBCNCVGYVOMF-MRXNPFEDSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2ccc(C)c(C)n2)C1 ZINC001732037921 1428260639 /nfs/dbraw/zinc/26/06/39/1428260639.db2.gz BFSAZHQPXUWFDS-MRXNPFEDSA-N 1 2 335.879 3.377 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccc(C)c(C)n2)C1 ZINC001732037921 1428260643 /nfs/dbraw/zinc/26/06/43/1428260643.db2.gz BFSAZHQPXUWFDS-MRXNPFEDSA-N 1 2 335.879 3.377 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2(c3cc(C)cc(C)c3)CC2)C1 ZINC001732138998 1428384895 /nfs/dbraw/zinc/38/48/95/1428384895.db2.gz OSRWAUUUNXSUPN-UHFFFAOYSA-N 1 2 332.875 3.136 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1coc2cc(C)ccc12 ZINC001700485658 1414130609 /nfs/dbraw/zinc/13/06/09/1414130609.db2.gz NLSZBLXSVNJEIE-AWEZNQCLSA-N 1 2 334.847 3.473 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1coc2cc(C)ccc12 ZINC001700485658 1414130611 /nfs/dbraw/zinc/13/06/11/1414130611.db2.gz NLSZBLXSVNJEIE-AWEZNQCLSA-N 1 2 334.847 3.473 20 30 EGEDLO N#Cc1ccc(C[N@H+](CCNC(=O)C2(F)CCCC2)C2CC2)c(F)c1 ZINC001713558704 1418354577 /nfs/dbraw/zinc/35/45/77/1418354577.db2.gz RNLZCMNKFKASQZ-UHFFFAOYSA-N 1 2 347.409 3.060 20 30 EGEDLO N#Cc1ccc(C[N@@H+](CCNC(=O)C2(F)CCCC2)C2CC2)c(F)c1 ZINC001713558704 1418354581 /nfs/dbraw/zinc/35/45/81/1418354581.db2.gz RNLZCMNKFKASQZ-UHFFFAOYSA-N 1 2 347.409 3.060 20 30 EGEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)c1c(C)coc1C ZINC001714652142 1419430779 /nfs/dbraw/zinc/43/07/79/1419430779.db2.gz FUMVXQBBFDQFNF-UHFFFAOYSA-N 1 2 343.265 3.247 20 30 EGEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1c(C)coc1C ZINC001714652142 1419430781 /nfs/dbraw/zinc/43/07/81/1419430781.db2.gz FUMVXQBBFDQFNF-UHFFFAOYSA-N 1 2 343.265 3.247 20 30 EGEDLO CCC1(C(=O)NCC[N@H+](Cc2ccccc2C#N)C2CC2)CCC1 ZINC001714670926 1419461043 /nfs/dbraw/zinc/46/10/43/1419461043.db2.gz WULZBMCMVGEUEG-UHFFFAOYSA-N 1 2 325.456 3.219 20 30 EGEDLO CCC1(C(=O)NCC[N@@H+](Cc2ccccc2C#N)C2CC2)CCC1 ZINC001714670926 1419461045 /nfs/dbraw/zinc/46/10/45/1419461045.db2.gz WULZBMCMVGEUEG-UHFFFAOYSA-N 1 2 325.456 3.219 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cc(CCC)on2)C1 ZINC001714860802 1419582835 /nfs/dbraw/zinc/58/28/35/1419582835.db2.gz NPXGXNYOEYVUGX-CQSZACIVSA-N 1 2 339.867 3.306 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cc(CCC)on2)C1 ZINC001714860802 1419582839 /nfs/dbraw/zinc/58/28/39/1419582839.db2.gz NPXGXNYOEYVUGX-CQSZACIVSA-N 1 2 339.867 3.306 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)C1(C)CCCC1 ZINC001717209729 1421182620 /nfs/dbraw/zinc/18/26/20/1421182620.db2.gz IRPRCDTUHOGIME-UHFFFAOYSA-N 1 2 331.298 3.256 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)C1(C)CCCC1 ZINC001717209729 1421182621 /nfs/dbraw/zinc/18/26/21/1421182621.db2.gz IRPRCDTUHOGIME-UHFFFAOYSA-N 1 2 331.298 3.256 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cccc2c1OCC2(C)C ZINC001722927849 1424260729 /nfs/dbraw/zinc/26/07/29/1424260729.db2.gz TVTQGZNLHIWQEH-ZDUSSCGKSA-N 1 2 336.863 3.159 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cccc2c1OCC2(C)C ZINC001722927849 1424260731 /nfs/dbraw/zinc/26/07/31/1424260731.db2.gz TVTQGZNLHIWQEH-ZDUSSCGKSA-N 1 2 336.863 3.159 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCn1ccc2ccccc21 ZINC001725195591 1425750286 /nfs/dbraw/zinc/75/02/86/1425750286.db2.gz ZRBUFDVYANAMOE-OAHLLOKOSA-N 1 2 333.863 3.220 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCn1ccc2ccccc21 ZINC001725195591 1425750291 /nfs/dbraw/zinc/75/02/91/1425750291.db2.gz ZRBUFDVYANAMOE-OAHLLOKOSA-N 1 2 333.863 3.220 20 30 EGEDLO C=C(Br)C[N@H+]1CCCCC[C@H]1CNC(=O)C1(C)CC1 ZINC001725234939 1425817209 /nfs/dbraw/zinc/81/72/09/1425817209.db2.gz AMAWOIRMRORMDA-ZDUSSCGKSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCCC[C@H]1CNC(=O)C1(C)CC1 ZINC001725234939 1425817214 /nfs/dbraw/zinc/81/72/14/1425817214.db2.gz AMAWOIRMRORMDA-ZDUSSCGKSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc2ccccc2nc1C)C1CC1 ZINC001731876191 1428139757 /nfs/dbraw/zinc/13/97/57/1428139757.db2.gz CQLFNBFBASERQY-UHFFFAOYSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc2ccccc2nc1C)C1CC1 ZINC001731876191 1428139763 /nfs/dbraw/zinc/13/97/63/1428139763.db2.gz CQLFNBFBASERQY-UHFFFAOYSA-N 1 2 343.858 3.490 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[N@@H+](Cc2nc(C)sc2C)C1 ZINC001752395534 1440173621 /nfs/dbraw/zinc/17/36/21/1440173621.db2.gz JVRAVNIUDVYOJU-INIZCTEOSA-N 1 2 333.501 3.034 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[N@H+](Cc2nc(C)sc2C)C1 ZINC001752395534 1440173622 /nfs/dbraw/zinc/17/36/22/1440173622.db2.gz JVRAVNIUDVYOJU-INIZCTEOSA-N 1 2 333.501 3.034 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H](F)Cc1ccccc1 ZINC001752824683 1440223028 /nfs/dbraw/zinc/22/30/28/1440223028.db2.gz CCCZFPJZISPIJQ-DLBZAZTESA-N 1 2 338.854 3.290 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](F)Cc1ccccc1 ZINC001752824683 1440223029 /nfs/dbraw/zinc/22/30/29/1440223029.db2.gz CCCZFPJZISPIJQ-DLBZAZTESA-N 1 2 338.854 3.290 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H](C)c1c(F)cccc1F ZINC001753085359 1440295778 /nfs/dbraw/zinc/29/57/78/1440295778.db2.gz BMZMAXRRPIWBTE-LBPRGKRZSA-N 1 2 330.806 3.259 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H](C)c1c(F)cccc1F ZINC001753085359 1440295779 /nfs/dbraw/zinc/29/57/79/1440295779.db2.gz BMZMAXRRPIWBTE-LBPRGKRZSA-N 1 2 330.806 3.259 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1csc(C(C)(C)C)n1 ZINC001753092158 1440299694 /nfs/dbraw/zinc/29/96/94/1440299694.db2.gz UYIJBQZKTRHKOJ-UHFFFAOYSA-N 1 2 329.897 3.245 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1csc(C(C)(C)C)n1 ZINC001753092158 1440299695 /nfs/dbraw/zinc/29/96/95/1440299695.db2.gz UYIJBQZKTRHKOJ-UHFFFAOYSA-N 1 2 329.897 3.245 20 30 EGEDLO C=C[C@H](C(=O)NCC[N@@H+](CC)[C@@H](C)c1ncc(C)o1)c1ccccc1 ZINC001753095211 1440302181 /nfs/dbraw/zinc/30/21/81/1440302181.db2.gz PTOJDPDZSRFEFK-WMZOPIPTSA-N 1 2 341.455 3.452 20 30 EGEDLO C=C[C@H](C(=O)NCC[N@H+](CC)[C@@H](C)c1ncc(C)o1)c1ccccc1 ZINC001753095211 1440302182 /nfs/dbraw/zinc/30/21/82/1440302182.db2.gz PTOJDPDZSRFEFK-WMZOPIPTSA-N 1 2 341.455 3.452 20 30 EGEDLO C[C@@H](c1c(F)cccc1F)[N@@H+]1CCC[C@@H]1CNC(=O)C#CC1CC1 ZINC001753102019 1440304821 /nfs/dbraw/zinc/30/48/21/1440304821.db2.gz BXSQPRYGTPYVOQ-DZGCQCFKSA-N 1 2 332.394 3.020 20 30 EGEDLO C[C@@H](c1c(F)cccc1F)[N@H+]1CCC[C@@H]1CNC(=O)C#CC1CC1 ZINC001753102019 1440304822 /nfs/dbraw/zinc/30/48/22/1440304822.db2.gz BXSQPRYGTPYVOQ-DZGCQCFKSA-N 1 2 332.394 3.020 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C1(c2ccccc2F)CC1 ZINC001753112550 1440309329 /nfs/dbraw/zinc/30/93/29/1440309329.db2.gz AVZFIIRLMWLVAB-CQSZACIVSA-N 1 2 336.838 3.190 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(c2ccccc2F)CC1 ZINC001753112550 1440309330 /nfs/dbraw/zinc/30/93/30/1440309330.db2.gz AVZFIIRLMWLVAB-CQSZACIVSA-N 1 2 336.838 3.190 20 30 EGEDLO C=CC(C)(C)CC(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001753155522 1440330694 /nfs/dbraw/zinc/33/06/94/1440330694.db2.gz BPLBYSNZVWCZBV-UHFFFAOYSA-N 1 2 343.446 3.380 20 30 EGEDLO C=CC(C)(C)CC(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001753155522 1440330695 /nfs/dbraw/zinc/33/06/95/1440330695.db2.gz BPLBYSNZVWCZBV-UHFFFAOYSA-N 1 2 343.446 3.380 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2CC)C1 ZINC001753327276 1440367346 /nfs/dbraw/zinc/36/73/46/1440367346.db2.gz JRTAPGLCGPMCKG-QLFBSQMISA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2CC)C1 ZINC001753327276 1440367347 /nfs/dbraw/zinc/36/73/47/1440367347.db2.gz JRTAPGLCGPMCKG-QLFBSQMISA-N 1 2 343.309 3.254 20 30 EGEDLO C[C@@H]1CCC[C@H]1CC(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001753403063 1440391452 /nfs/dbraw/zinc/39/14/52/1440391452.db2.gz LKOPDBORKDNZIJ-PBHICJAKSA-N 1 2 343.446 3.072 20 30 EGEDLO C=C/C(C)=C\CC(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001753408342 1440392440 /nfs/dbraw/zinc/39/24/40/1440392440.db2.gz MERHHFQBBBHPLA-SOFYXZRVSA-N 1 2 342.870 3.262 20 30 EGEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1oc(C(C)C)nc1C ZINC001753425090 1440396592 /nfs/dbraw/zinc/39/65/92/1440396592.db2.gz OWMWIBUAHHQNML-HOTGVXAUSA-N 1 2 345.487 3.494 20 30 EGEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1oc(C(C)C)nc1C ZINC001753425090 1440396593 /nfs/dbraw/zinc/39/65/93/1440396593.db2.gz OWMWIBUAHHQNML-HOTGVXAUSA-N 1 2 345.487 3.494 20 30 EGEDLO C[C@@H](C#N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC001753433273 1440399329 /nfs/dbraw/zinc/39/93/29/1440399329.db2.gz FPXJUSLADMPNJV-SMDDNHRTSA-N 1 2 340.254 3.186 20 30 EGEDLO C[C@@H](C#N)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC001753433273 1440399330 /nfs/dbraw/zinc/39/93/30/1440399330.db2.gz FPXJUSLADMPNJV-SMDDNHRTSA-N 1 2 340.254 3.186 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC/C=C/C[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001754157763 1440545666 /nfs/dbraw/zinc/54/56/66/1440545666.db2.gz YOXQWZWYZQTJQK-CMDGGOBGSA-N 1 2 333.476 3.336 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H](C)C[N@H+](C)Cc1cc(F)ccc1C#N ZINC001754329423 1440582762 /nfs/dbraw/zinc/58/27/62/1440582762.db2.gz WRMXVEMTANSQNU-AWEZNQCLSA-N 1 2 331.435 3.236 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001754329423 1440582763 /nfs/dbraw/zinc/58/27/63/1440582763.db2.gz WRMXVEMTANSQNU-AWEZNQCLSA-N 1 2 331.435 3.236 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC001754336307 1440586669 /nfs/dbraw/zinc/58/66/69/1440586669.db2.gz LIHBIJUSDACGSX-AWEZNQCLSA-N 1 2 331.847 3.484 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC001754336307 1440586670 /nfs/dbraw/zinc/58/66/70/1440586670.db2.gz LIHBIJUSDACGSX-AWEZNQCLSA-N 1 2 331.847 3.484 20 30 EGEDLO C#CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1c(C)nsc1C ZINC001754551319 1440629996 /nfs/dbraw/zinc/62/99/96/1440629996.db2.gz AHOOQOGIHBEQJA-CALCHBBNSA-N 1 2 345.512 3.129 20 30 EGEDLO C#CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1c(C)nsc1C ZINC001754551319 1440629997 /nfs/dbraw/zinc/62/99/97/1440629997.db2.gz AHOOQOGIHBEQJA-CALCHBBNSA-N 1 2 345.512 3.129 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N(C)C1C[NH+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001754580773 1440638656 /nfs/dbraw/zinc/63/86/56/1440638656.db2.gz LUJNHTJTRHSKFU-WFASDCNBSA-N 1 2 333.303 3.315 20 30 EGEDLO CC(C)=CC(=O)NC1(C)CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001754624354 1440645861 /nfs/dbraw/zinc/64/58/61/1440645861.db2.gz LGQOOLIKDLVUTC-UHFFFAOYSA-N 1 2 329.419 3.134 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(CC)s1 ZINC001754658657 1440654210 /nfs/dbraw/zinc/65/42/10/1440654210.db2.gz KKLZIWLTFHVVJB-CABCVRRESA-N 1 2 348.516 3.022 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(CC)s1 ZINC001754658657 1440654211 /nfs/dbraw/zinc/65/42/11/1440654211.db2.gz KKLZIWLTFHVVJB-CABCVRRESA-N 1 2 348.516 3.022 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001754872965 1440705794 /nfs/dbraw/zinc/70/57/94/1440705794.db2.gz QRFZFCSBQAZJKP-DXEYKMMJSA-N 1 2 343.298 3.422 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001754872965 1440705795 /nfs/dbraw/zinc/70/57/95/1440705795.db2.gz QRFZFCSBQAZJKP-DXEYKMMJSA-N 1 2 343.298 3.422 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2nc(C(C)C)no2)CC1 ZINC001755024269 1440727793 /nfs/dbraw/zinc/72/77/93/1440727793.db2.gz ANFIMFGLFCUOTC-OAHLLOKOSA-N 1 2 348.491 3.266 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2nc(C(C)C)no2)CC1 ZINC001755024269 1440727794 /nfs/dbraw/zinc/72/77/94/1440727794.db2.gz ANFIMFGLFCUOTC-OAHLLOKOSA-N 1 2 348.491 3.266 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nc(C2CCCC2)no1 ZINC001755238388 1440788807 /nfs/dbraw/zinc/78/88/07/1440788807.db2.gz VRMUOCNBIZEVGG-KBPBESRZSA-N 1 2 334.464 3.066 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)OCc1ccccc1C ZINC001755309450 1440812617 /nfs/dbraw/zinc/81/26/17/1440812617.db2.gz AFNZZVSJIMGWMU-JKSUJKDBSA-N 1 2 338.879 3.089 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)OCc1ccccc1C ZINC001755309450 1440812618 /nfs/dbraw/zinc/81/26/18/1440812618.db2.gz AFNZZVSJIMGWMU-JKSUJKDBSA-N 1 2 338.879 3.089 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(Cl)n2)[C@H]1C ZINC001755715851 1440905008 /nfs/dbraw/zinc/90/50/08/1440905008.db2.gz FELRDSVLJNGUGR-DOTOQJQBSA-N 1 2 347.890 3.398 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(Cl)n2)[C@H]1C ZINC001755715851 1440905009 /nfs/dbraw/zinc/90/50/09/1440905009.db2.gz FELRDSVLJNGUGR-DOTOQJQBSA-N 1 2 347.890 3.398 20 30 EGEDLO C=CCCC[NH2+]C[C@@H](NC(=O)c1cc2c[nH]ccc-2n1)C(C)(C)C ZINC001755826486 1440927440 /nfs/dbraw/zinc/92/74/40/1440927440.db2.gz RDJVPSSWYQYENN-QGZVFWFLSA-N 1 2 328.460 3.263 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCC1=CC[N@H+](Cc2ccn(C(C)C)n2)CC1 ZINC001755890822 1440941277 /nfs/dbraw/zinc/94/12/77/1440941277.db2.gz NDKOBFUCBQILAM-UHFFFAOYSA-N 1 2 344.503 3.315 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCC1=CC[N@@H+](Cc2ccn(C(C)C)n2)CC1 ZINC001755890822 1440941278 /nfs/dbraw/zinc/94/12/78/1440941278.db2.gz NDKOBFUCBQILAM-UHFFFAOYSA-N 1 2 344.503 3.315 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)[C@@H]1C ZINC001756564011 1441028111 /nfs/dbraw/zinc/02/81/11/1441028111.db2.gz PRKPGFUGORWODU-DLBZAZTESA-N 1 2 343.471 3.082 20 30 EGEDLO N#CC1(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CCCCC1 ZINC000057381660 214424692 /nfs/dbraw/zinc/42/46/92/214424692.db2.gz ZQCJJMKYYPBQRR-JXMROGBWSA-N 1 2 337.467 3.318 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCc3ccccc3C2)cc1Cl ZINC000003323072 210006865 /nfs/dbraw/zinc/00/68/65/210006865.db2.gz YBZZLWQBCNOOLR-UHFFFAOYSA-N 1 2 325.799 3.208 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCc3ccccc3C2)cc1Cl ZINC000003323072 210006870 /nfs/dbraw/zinc/00/68/70/210006870.db2.gz YBZZLWQBCNOOLR-UHFFFAOYSA-N 1 2 325.799 3.208 20 30 EGEDLO CCCc1c(NCc2[nH+]cc(C)n2C)cnn1-c1cccc(C#N)c1 ZINC000341335859 284103955 /nfs/dbraw/zinc/10/39/55/284103955.db2.gz QZXVYOQORJIGCD-UHFFFAOYSA-N 1 2 334.427 3.351 20 30 EGEDLO N#Cc1cc(F)ccc1NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000110100440 220015803 /nfs/dbraw/zinc/01/58/03/220015803.db2.gz CBIUACNAWNFNIY-INIZCTEOSA-N 1 2 331.416 3.244 20 30 EGEDLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)cs1 ZINC000111376290 220148034 /nfs/dbraw/zinc/14/80/34/220148034.db2.gz JFTPXJJVQKDIAG-NEPJUHHUSA-N 1 2 328.441 3.255 20 30 EGEDLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)cs1 ZINC000111376259 220148318 /nfs/dbraw/zinc/14/83/18/220148318.db2.gz YLFRNYMGCFWJLP-NEPJUHHUSA-N 1 2 328.441 3.255 20 30 EGEDLO C[C@@H]1CN(c2ccc(Nc3ncc(C#N)cc3Cl)c[nH+]2)C[C@H](C)O1 ZINC000265155638 247254068 /nfs/dbraw/zinc/25/40/68/247254068.db2.gz UQXQHBCHKWTXMD-TXEJJXNPSA-N 1 2 343.818 3.359 20 30 EGEDLO Cc1cc(C(=O)N2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)c(C)o1 ZINC000118394470 221145715 /nfs/dbraw/zinc/14/57/15/221145715.db2.gz XAKKOIZHQOPSEO-HNNXBMFYSA-N 1 2 337.423 3.287 20 30 EGEDLO Cn1cc[nH+]c1CNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000350766652 141265759 /nfs/dbraw/zinc/26/57/59/141265759.db2.gz JKNLRUIOLIXXNM-UHFFFAOYSA-N 1 2 332.363 3.014 20 30 EGEDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC000172192414 144017652 /nfs/dbraw/zinc/01/76/52/144017652.db2.gz APCSLGXOPQZRJP-IBGZPJMESA-N 1 2 349.434 3.478 20 30 EGEDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC000172192414 144017653 /nfs/dbraw/zinc/01/76/53/144017653.db2.gz APCSLGXOPQZRJP-IBGZPJMESA-N 1 2 349.434 3.478 20 30 EGEDLO Cc1ccc(-c2noc([C@H](C)[NH2+]Cc3cc(C#N)n(C)c3)n2)cc1F ZINC000361730513 144356254 /nfs/dbraw/zinc/35/62/54/144356254.db2.gz YNMCTPFKNDSCMR-LBPRGKRZSA-N 1 2 339.374 3.245 20 30 EGEDLO CC[N@H+](Cc1ccc(C#N)cc1F)[C@H]1CCN(c2ccccc2)C1=O ZINC000343492320 155830608 /nfs/dbraw/zinc/83/06/08/155830608.db2.gz LBXPNGPIUONTHX-IBGZPJMESA-N 1 2 337.398 3.325 20 30 EGEDLO CC[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CCN(c2ccccc2)C1=O ZINC000343492320 155830613 /nfs/dbraw/zinc/83/06/13/155830613.db2.gz LBXPNGPIUONTHX-IBGZPJMESA-N 1 2 337.398 3.325 20 30 EGEDLO Cn1c2c(cccc2F)[nH+]c1N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000337013481 163104652 /nfs/dbraw/zinc/10/46/52/163104652.db2.gz IYEZFNOBRHRAGG-KRWDZBQOSA-N 1 2 336.370 3.162 20 30 EGEDLO N#Cc1ccnc(NCc2[nH+]ccn2CCc2ccccc2)c1Cl ZINC000342515440 163899151 /nfs/dbraw/zinc/89/91/51/163899151.db2.gz VBAHGRYHSTUADN-UHFFFAOYSA-N 1 2 337.814 3.080 20 30 EGEDLO C[C@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000352199730 165281603 /nfs/dbraw/zinc/28/16/03/165281603.db2.gz CWLDONSKBCMIQS-INIZCTEOSA-N 1 2 344.418 3.223 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000352220694 165292022 /nfs/dbraw/zinc/29/20/22/165292022.db2.gz DIBVTUGBBSVIEP-UHFFFAOYSA-N 1 2 325.799 3.208 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000352220694 165292027 /nfs/dbraw/zinc/29/20/27/165292027.db2.gz DIBVTUGBBSVIEP-UHFFFAOYSA-N 1 2 325.799 3.208 20 30 EGEDLO Cn1c[nH+]cc1CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000355261467 166149471 /nfs/dbraw/zinc/14/94/71/166149471.db2.gz ZSGXZYBLZKJVRK-UHFFFAOYSA-N 1 2 332.363 3.014 20 30 EGEDLO N#Cc1ccccc1C[N@H+](CCO)Cc1cccc(Br)c1 ZINC000488215821 270056304 /nfs/dbraw/zinc/05/63/04/270056304.db2.gz HNJUHQOMOQRKKP-UHFFFAOYSA-N 1 2 345.240 3.315 20 30 EGEDLO N#Cc1ccccc1C[N@@H+](CCO)Cc1cccc(Br)c1 ZINC000488215821 270056305 /nfs/dbraw/zinc/05/63/05/270056305.db2.gz HNJUHQOMOQRKKP-UHFFFAOYSA-N 1 2 345.240 3.315 20 30 EGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C\c1ccc(C#N)cc1 ZINC000493819750 270058403 /nfs/dbraw/zinc/05/84/03/270058403.db2.gz UYODVYOUPOFIGY-KHPPLWFESA-N 1 2 336.439 3.269 20 30 EGEDLO CC[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc(Cl)s1 ZINC000298440322 266106047 /nfs/dbraw/zinc/10/60/47/266106047.db2.gz CIICGZDBODIZGL-UHFFFAOYSA-N 1 2 347.871 3.411 20 30 EGEDLO CC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc(Cl)s1 ZINC000298440322 266106053 /nfs/dbraw/zinc/10/60/53/266106053.db2.gz CIICGZDBODIZGL-UHFFFAOYSA-N 1 2 347.871 3.411 20 30 EGEDLO N#Cc1c(NC(=O)CC[N@H+]2CCC=C(F)C2)sc2c1CCCC2 ZINC000271609700 266693993 /nfs/dbraw/zinc/69/39/93/266693993.db2.gz KASJWAOXKVVTCL-UHFFFAOYSA-N 1 2 333.432 3.386 20 30 EGEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCC=C(F)C2)sc2c1CCCC2 ZINC000271609700 266693996 /nfs/dbraw/zinc/69/39/96/266693996.db2.gz KASJWAOXKVVTCL-UHFFFAOYSA-N 1 2 333.432 3.386 20 30 EGEDLO CCN(CC)c1ccc(Nc2ccc(C(F)(F)F)c(C#N)n2)c[nH+]1 ZINC000443507195 267062427 /nfs/dbraw/zinc/06/24/27/267062427.db2.gz HSORYUUNLMWGDZ-UHFFFAOYSA-N 1 2 335.333 3.379 20 30 EGEDLO CC[N@H+](Cc1occc1C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000412026537 267072647 /nfs/dbraw/zinc/07/26/47/267072647.db2.gz LXFKPBYOSAJHIZ-AWEZNQCLSA-N 1 2 329.425 3.149 20 30 EGEDLO CC[N@@H+](Cc1occc1C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000412026537 267072650 /nfs/dbraw/zinc/07/26/50/267072650.db2.gz LXFKPBYOSAJHIZ-AWEZNQCLSA-N 1 2 329.425 3.149 20 30 EGEDLO CCOC(=O)Nc1ccc(NCc2cc(OC)cc(C)[nH+]2)cc1C#N ZINC000496123865 267128987 /nfs/dbraw/zinc/12/89/87/267128987.db2.gz WNKRCQKCRFEUPW-UHFFFAOYSA-N 1 2 340.383 3.451 20 30 EGEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000488447891 267133177 /nfs/dbraw/zinc/13/31/77/267133177.db2.gz KYPZYPCEMPBPJQ-FQEVSTJZSA-N 1 2 336.435 3.473 20 30 EGEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000488447891 267133180 /nfs/dbraw/zinc/13/31/80/267133180.db2.gz KYPZYPCEMPBPJQ-FQEVSTJZSA-N 1 2 336.435 3.473 20 30 EGEDLO CCOc1ccccc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507178268 267174667 /nfs/dbraw/zinc/17/46/67/267174667.db2.gz IAPSLDBUOKSJQH-UHFFFAOYSA-N 1 2 339.414 3.418 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[NH2+][C@@H](CCCO)c3ccccc3)o2)cc1 ZINC000271739340 268029367 /nfs/dbraw/zinc/02/93/67/268029367.db2.gz BWHRSCUHWZCVMZ-SFHVURJKSA-N 1 2 348.406 3.212 20 30 EGEDLO Cc1ccc2[nH+]c(CNC(=O)C(C)(C)Cc3ccc(C#N)cc3)cn2c1 ZINC000455004102 268047519 /nfs/dbraw/zinc/04/75/19/268047519.db2.gz RPJZFQRNLMUEQM-UHFFFAOYSA-N 1 2 346.434 3.400 20 30 EGEDLO Cc1nc(C(C)C)oc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000428214818 268073778 /nfs/dbraw/zinc/07/37/78/268073778.db2.gz GGPPFRNBQBFSON-UHFFFAOYSA-N 1 2 342.418 3.439 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCc2occc2C1 ZINC000288758296 268100643 /nfs/dbraw/zinc/10/06/43/268100643.db2.gz IPQHQXLVWVFSOG-UHFFFAOYSA-N 1 2 329.787 3.192 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCc2occc2C1 ZINC000288758296 268100646 /nfs/dbraw/zinc/10/06/46/268100646.db2.gz IPQHQXLVWVFSOG-UHFFFAOYSA-N 1 2 329.787 3.192 20 30 EGEDLO Cn1cc(CNc2[nH+]c3ccccc3n2-c2ccccc2F)cc1C#N ZINC000446884678 268127798 /nfs/dbraw/zinc/12/77/98/268127798.db2.gz QAYQRIXLKQKWNX-UHFFFAOYSA-N 1 2 345.381 3.409 20 30 EGEDLO N#Cc1ccc(NC(=O)NCCCNc2cccc[nH+]2)c(Cl)c1 ZINC000426156687 268244863 /nfs/dbraw/zinc/24/48/63/268244863.db2.gz LUIDFXPSEOYZAT-UHFFFAOYSA-N 1 2 329.791 3.230 20 30 EGEDLO COc1ccc(C#N)cc1C[N@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000178820515 275202103 /nfs/dbraw/zinc/20/21/03/275202103.db2.gz YSGYBOUGFJVEPX-UHFFFAOYSA-N 1 2 337.423 3.254 20 30 EGEDLO COc1ccc(C#N)cc1C[N@@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000178820515 275202105 /nfs/dbraw/zinc/20/21/05/275202105.db2.gz YSGYBOUGFJVEPX-UHFFFAOYSA-N 1 2 337.423 3.254 20 30 EGEDLO N#Cc1ccccc1Sc1ccccc1C(=O)NCCn1cc[nH+]c1 ZINC000070752629 307377059 /nfs/dbraw/zinc/37/70/59/307377059.db2.gz NXLGCDHPTFJHAJ-UHFFFAOYSA-N 1 2 348.431 3.336 20 30 EGEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(c2ncccc2Cl)CC1 ZINC000155947043 307824089 /nfs/dbraw/zinc/82/40/89/307824089.db2.gz CAGJLQOYXYVSLW-CQSZACIVSA-N 1 2 326.831 3.490 20 30 EGEDLO CCN(CC)c1ccc(CNC(=O)c2ccc(Cl)c(C#N)c2)c[nH+]1 ZINC000537580476 314190429 /nfs/dbraw/zinc/19/04/29/314190429.db2.gz JRIAFCBBNMSDHG-UHFFFAOYSA-N 1 2 342.830 3.383 20 30 EGEDLO Cc1cc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)cc(C#N)n1 ZINC000553520908 315268211 /nfs/dbraw/zinc/26/82/11/315268211.db2.gz RZCTUHOZSWZFFJ-UHFFFAOYSA-N 1 2 343.434 3.264 20 30 EGEDLO Cc1cc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)c(C#N)cn1 ZINC000567043951 316560115 /nfs/dbraw/zinc/56/01/15/316560115.db2.gz HBPREFSSRSXIOW-UHFFFAOYSA-N 1 2 343.434 3.264 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000571092233 317150171 /nfs/dbraw/zinc/15/01/71/317150171.db2.gz NHKBGBWQZCRQIB-KRWDZBQOSA-N 1 2 349.369 3.342 20 30 EGEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000297896379 456320183 /nfs/dbraw/zinc/32/01/83/456320183.db2.gz ONZKAXPMHCRKOY-GFCCVEGCSA-N 1 2 340.254 3.443 20 30 EGEDLO N#Cc1cc(F)ccc1C[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000179565327 323393159 /nfs/dbraw/zinc/39/31/59/323393159.db2.gz KYAHJBFMEILZSO-LJQANCHMSA-N 1 2 337.398 3.151 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c2[nH+]ccn21 ZINC000578967601 325043346 /nfs/dbraw/zinc/04/33/46/325043346.db2.gz PVYHNDZVIWOMKE-KDOFPFPSSA-N 1 2 347.422 3.259 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)cn1)Cc1cc(Br)ccc1F ZINC000579665709 325140623 /nfs/dbraw/zinc/14/06/23/325140623.db2.gz VBVYJEDOJYBBTA-UHFFFAOYSA-N 1 2 334.192 3.487 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)cn1)Cc1cc(Br)ccc1F ZINC000579665709 325140626 /nfs/dbraw/zinc/14/06/26/325140626.db2.gz VBVYJEDOJYBBTA-UHFFFAOYSA-N 1 2 334.192 3.487 20 30 EGEDLO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000347058758 457208442 /nfs/dbraw/zinc/20/84/42/457208442.db2.gz QPQMQUKCJDJPTP-JKSUJKDBSA-N 1 2 337.261 3.446 20 30 EGEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000264531970 455230932 /nfs/dbraw/zinc/23/09/32/455230932.db2.gz ITCNQDKHNRCMGU-KBPBESRZSA-N 1 2 343.456 3.488 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000189958321 455260134 /nfs/dbraw/zinc/26/01/34/455260134.db2.gz OIKSAXBNZJENGY-IBGZPJMESA-N 1 2 330.476 3.159 20 30 EGEDLO C/C=C\c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@](C)(C#N)C2)c(OC)c1 ZINC000612165979 460558104 /nfs/dbraw/zinc/55/81/04/460558104.db2.gz QEOWBNNIBMEZBE-GXOYNTHASA-N 1 2 344.455 3.094 20 30 EGEDLO C/C=C\c1ccc(OC[C@H](O)C[N@H+]2CCC[C@](C)(C#N)C2)c(OC)c1 ZINC000612165979 460558112 /nfs/dbraw/zinc/55/81/12/460558112.db2.gz QEOWBNNIBMEZBE-GXOYNTHASA-N 1 2 344.455 3.094 20 30 EGEDLO COc1ccc(Cl)cc1C[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000008005709 453149152 /nfs/dbraw/zinc/14/91/52/453149152.db2.gz CKMZGESNALNJSY-UHFFFAOYSA-N 1 2 349.843 3.352 20 30 EGEDLO COc1ccc(Cl)cc1C[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000008005709 453149159 /nfs/dbraw/zinc/14/91/59/453149159.db2.gz CKMZGESNALNJSY-UHFFFAOYSA-N 1 2 349.843 3.352 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C(=O)OC)cc1)Cc1cccs1 ZINC000019540440 453657323 /nfs/dbraw/zinc/65/73/23/453657323.db2.gz PGBBROPAQAGQSA-UHFFFAOYSA-N 1 2 344.436 3.161 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccc(C(=O)OC)cc1)Cc1cccs1 ZINC000019540440 453657325 /nfs/dbraw/zinc/65/73/25/453657325.db2.gz PGBBROPAQAGQSA-UHFFFAOYSA-N 1 2 344.436 3.161 20 30 EGEDLO COc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2F)c(OC)c1OC ZINC000025181912 453761452 /nfs/dbraw/zinc/76/14/52/453761452.db2.gz KDVHVEJCJVFLID-UHFFFAOYSA-N 1 2 344.386 3.355 20 30 EGEDLO COc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2F)c(OC)c1OC ZINC000025181912 453761455 /nfs/dbraw/zinc/76/14/55/453761455.db2.gz KDVHVEJCJVFLID-UHFFFAOYSA-N 1 2 344.386 3.355 20 30 EGEDLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)c1C ZINC000026327533 453796611 /nfs/dbraw/zinc/79/66/11/453796611.db2.gz GKEWDLLUSWCQDT-CQSZACIVSA-N 1 2 337.423 3.409 20 30 EGEDLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)c1C ZINC000026327533 453796614 /nfs/dbraw/zinc/79/66/14/453796614.db2.gz GKEWDLLUSWCQDT-CQSZACIVSA-N 1 2 337.423 3.409 20 30 EGEDLO C[C@H](c1nc(C2CC2)no1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801621 453844995 /nfs/dbraw/zinc/84/49/95/453844995.db2.gz KCPVBRCZOZIBFC-CQSZACIVSA-N 1 2 337.427 3.092 20 30 EGEDLO C[C@H](c1nc(C2CC2)no1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801621 453844998 /nfs/dbraw/zinc/84/49/98/453844998.db2.gz KCPVBRCZOZIBFC-CQSZACIVSA-N 1 2 337.427 3.092 20 30 EGEDLO CC(C)(C)C(=O)N1CCC(C[N@H+](CCC#N)Cc2ccco2)CC1 ZINC000181729557 455377139 /nfs/dbraw/zinc/37/71/39/455377139.db2.gz AHRZOVZRYPSXKI-UHFFFAOYSA-N 1 2 331.460 3.280 20 30 EGEDLO CC(C)(C)C(=O)N1CCC(C[N@@H+](CCC#N)Cc2ccco2)CC1 ZINC000181729557 455377142 /nfs/dbraw/zinc/37/71/42/455377142.db2.gz AHRZOVZRYPSXKI-UHFFFAOYSA-N 1 2 331.460 3.280 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000054006294 453904945 /nfs/dbraw/zinc/90/49/45/453904945.db2.gz VOOHALHNEMGWHK-KRWDZBQOSA-N 1 2 331.379 3.203 20 30 EGEDLO CCC[N@H+](Cc1nc(CC(F)(F)F)no1)Cc1ccc(C#N)cc1 ZINC000075626806 453911668 /nfs/dbraw/zinc/91/16/68/453911668.db2.gz RBXLZYIAWVLIFQ-UHFFFAOYSA-N 1 2 338.333 3.458 20 30 EGEDLO CCC[N@@H+](Cc1nc(CC(F)(F)F)no1)Cc1ccc(C#N)cc1 ZINC000075626806 453911672 /nfs/dbraw/zinc/91/16/72/453911672.db2.gz RBXLZYIAWVLIFQ-UHFFFAOYSA-N 1 2 338.333 3.458 20 30 EGEDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)on1 ZINC000075640447 453914448 /nfs/dbraw/zinc/91/44/48/453914448.db2.gz ZLFOMLFMWQMRFC-HNNXBMFYSA-N 1 2 335.367 3.242 20 30 EGEDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)on1 ZINC000075640447 453914449 /nfs/dbraw/zinc/91/44/49/453914449.db2.gz ZLFOMLFMWQMRFC-HNNXBMFYSA-N 1 2 335.367 3.242 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC000054272065 453919883 /nfs/dbraw/zinc/91/98/83/453919883.db2.gz ZVIWPYQCQIJACK-UHFFFAOYSA-N 1 2 328.387 3.461 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC000054272065 453919885 /nfs/dbraw/zinc/91/98/85/453919885.db2.gz ZVIWPYQCQIJACK-UHFFFAOYSA-N 1 2 328.387 3.461 20 30 EGEDLO COC(=O)[C@H]([NH2+]C[C@H]1CCCc2ccccc21)c1cccc(C#N)c1 ZINC000083029923 453934439 /nfs/dbraw/zinc/93/44/39/453934439.db2.gz QHFCFIYGOZIUEU-UYAOXDASSA-N 1 2 334.419 3.482 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)N1CCCCCC1 ZINC000076153984 453972597 /nfs/dbraw/zinc/97/25/97/453972597.db2.gz QCHZNSDAVIXBBD-MOPGFXCFSA-N 1 2 325.456 3.161 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)N1CCCCCC1 ZINC000076153984 453972598 /nfs/dbraw/zinc/97/25/98/453972598.db2.gz QCHZNSDAVIXBBD-MOPGFXCFSA-N 1 2 325.456 3.161 20 30 EGEDLO CC(C)(C#N)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000055338398 453977307 /nfs/dbraw/zinc/97/73/07/453977307.db2.gz FHWRVOIBSHVJSJ-CQSZACIVSA-N 1 2 337.826 3.282 20 30 EGEDLO C=CCOc1ccccc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000055696654 454006944 /nfs/dbraw/zinc/00/69/44/454006944.db2.gz KNUHRDOMQXXBJW-UHFFFAOYSA-N 1 2 333.391 3.367 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)NCc1cccc(C#N)c1 ZINC000043471659 454063178 /nfs/dbraw/zinc/06/31/78/454063178.db2.gz WPZYJZNTYGQHKX-UHFFFAOYSA-N 1 2 347.422 3.106 20 30 EGEDLO Cn1cc([C@H]([NH2+]CC#Cc2ccc(F)cc2)c2ccc(F)cc2)cn1 ZINC000184588513 455408123 /nfs/dbraw/zinc/40/81/23/455408123.db2.gz NUGJOULZNDKQIY-HXUWFJFHSA-N 1 2 337.373 3.429 20 30 EGEDLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000069661963 454130715 /nfs/dbraw/zinc/13/07/15/454130715.db2.gz JMRWTHGPFXLXMM-OAHLLOKOSA-N 1 2 342.464 3.090 20 30 EGEDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000069661963 454130717 /nfs/dbraw/zinc/13/07/17/454130717.db2.gz JMRWTHGPFXLXMM-OAHLLOKOSA-N 1 2 342.464 3.090 20 30 EGEDLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2ccccc2)no1 ZINC000045003647 454132167 /nfs/dbraw/zinc/13/21/67/454132167.db2.gz UZAIOMOITKKWRG-GOSISDBHSA-N 1 2 338.411 3.067 20 30 EGEDLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2ccccc2)no1 ZINC000045003647 454132170 /nfs/dbraw/zinc/13/21/70/454132170.db2.gz UZAIOMOITKKWRG-GOSISDBHSA-N 1 2 338.411 3.067 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000057753714 454145327 /nfs/dbraw/zinc/14/53/27/454145327.db2.gz KZVUPAHTSLFSQQ-CYBMUJFWSA-N 1 2 339.281 3.093 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000057753714 454145329 /nfs/dbraw/zinc/14/53/29/454145329.db2.gz KZVUPAHTSLFSQQ-CYBMUJFWSA-N 1 2 339.281 3.093 20 30 EGEDLO C[C@H]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000131967520 454302359 /nfs/dbraw/zinc/30/23/59/454302359.db2.gz IXTIZAQBCPZWNF-BLLLJJGKSA-N 1 2 328.803 3.131 20 30 EGEDLO C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[NH+]1CCC(C#N)CC1 ZINC000060893354 454319166 /nfs/dbraw/zinc/31/91/66/454319166.db2.gz UXAQIFWJVOALSK-CQSZACIVSA-N 1 2 346.500 3.433 20 30 EGEDLO C=CCSc1ccccc1NC(=O)CSc1nc(N)cc(C)[nH+]1 ZINC000060980635 454322609 /nfs/dbraw/zinc/32/26/09/454322609.db2.gz BXTVMYMZPGLHRB-UHFFFAOYSA-N 1 2 346.481 3.376 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(O)(CC)CC1 ZINC000072724653 454332851 /nfs/dbraw/zinc/33/28/51/454332851.db2.gz ODLZVQAHLMTVTR-UHFFFAOYSA-N 1 2 334.485 3.140 20 30 EGEDLO N#CCc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000079103179 454369728 /nfs/dbraw/zinc/36/97/28/454369728.db2.gz FWLMNXDAQCJPPL-UHFFFAOYSA-N 1 2 349.438 3.460 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[NH+]2C[C@@H](C)S[C@H](C)C2)c1C#N ZINC000091070769 454376193 /nfs/dbraw/zinc/37/61/93/454376193.db2.gz ZLPQIKHJXPCHSR-ZIAGYGMSSA-N 1 2 326.469 3.378 20 30 EGEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000062905850 454388563 /nfs/dbraw/zinc/38/85/63/454388563.db2.gz YHNUOJLOKOISHR-UHFFFAOYSA-N 1 2 344.418 3.431 20 30 EGEDLO N#Cc1c(NCc2cccc(Cn3cc[nH+]c3)c2)nc2ccccn12 ZINC000097082378 454400887 /nfs/dbraw/zinc/40/08/87/454400887.db2.gz FRWZOSWAURCABI-UHFFFAOYSA-N 1 2 328.379 3.063 20 30 EGEDLO C=CC[N@@H+](CC(=O)N1[C@@H](C)CCC[C@@H]1C)Cc1cccc(C#N)c1 ZINC000063388319 454408878 /nfs/dbraw/zinc/40/88/78/454408878.db2.gz TZTJMZYQOGHDOK-IRXDYDNUSA-N 1 2 325.456 3.336 20 30 EGEDLO C=CC[N@H+](CC(=O)N1[C@@H](C)CCC[C@@H]1C)Cc1cccc(C#N)c1 ZINC000063388319 454408881 /nfs/dbraw/zinc/40/88/81/454408881.db2.gz TZTJMZYQOGHDOK-IRXDYDNUSA-N 1 2 325.456 3.336 20 30 EGEDLO CC[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)C[C@@H](C)C#N ZINC000064248767 454470079 /nfs/dbraw/zinc/47/00/79/454470079.db2.gz QJWHUFWALHXUAR-HNAYVOBHSA-N 1 2 341.480 3.435 20 30 EGEDLO CC[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)C[C@@H](C)C#N ZINC000064248767 454470082 /nfs/dbraw/zinc/47/00/82/454470082.db2.gz QJWHUFWALHXUAR-HNAYVOBHSA-N 1 2 341.480 3.435 20 30 EGEDLO COC(=O)c1ccc(-c2nc(C[NH+]3CCC(C#N)CC3)cs2)cc1 ZINC000050963217 454604017 /nfs/dbraw/zinc/60/40/17/454604017.db2.gz POGBJPGQCPLKCJ-UHFFFAOYSA-N 1 2 341.436 3.332 20 30 EGEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000135243656 454652532 /nfs/dbraw/zinc/65/25/32/454652532.db2.gz RQOKNJRXHHXFSY-LJQANCHMSA-N 1 2 333.435 3.161 20 30 EGEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000135243656 454652534 /nfs/dbraw/zinc/65/25/34/454652534.db2.gz RQOKNJRXHHXFSY-LJQANCHMSA-N 1 2 333.435 3.161 20 30 EGEDLO N#CC1(NC(=O)C[N@@H+](Cc2ccc(F)cc2F)C2CC2)CCCCC1 ZINC000052076094 454653685 /nfs/dbraw/zinc/65/36/85/454653685.db2.gz NXDVEPJIANRXDB-UHFFFAOYSA-N 1 2 347.409 3.272 20 30 EGEDLO N#CC1(NC(=O)C[N@H+](Cc2ccc(F)cc2F)C2CC2)CCCCC1 ZINC000052076094 454653689 /nfs/dbraw/zinc/65/36/89/454653689.db2.gz NXDVEPJIANRXDB-UHFFFAOYSA-N 1 2 347.409 3.272 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000052275478 454666299 /nfs/dbraw/zinc/66/62/99/454666299.db2.gz BVHRDAKNICTGOU-QAPCUYQASA-N 1 2 348.874 3.302 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000052275478 454666305 /nfs/dbraw/zinc/66/63/05/454666305.db2.gz BVHRDAKNICTGOU-QAPCUYQASA-N 1 2 348.874 3.302 20 30 EGEDLO C[C@H](c1ccccc1)[N@H+](CC#Cc1ccc(Cl)cc1)CC(N)=O ZINC000123822745 454678752 /nfs/dbraw/zinc/67/87/52/454678752.db2.gz SKXKBZLBNNNZLU-OAHLLOKOSA-N 1 2 326.827 3.240 20 30 EGEDLO C[C@H](c1ccccc1)[N@@H+](CC#Cc1ccc(Cl)cc1)CC(N)=O ZINC000123822745 454678755 /nfs/dbraw/zinc/67/87/55/454678755.db2.gz SKXKBZLBNNNZLU-OAHLLOKOSA-N 1 2 326.827 3.240 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)[C@H]2CCCc3c2cnn3C)c1C ZINC000135556710 454688976 /nfs/dbraw/zinc/68/89/76/454688976.db2.gz LKNGTBHNKZXXRZ-SFHVURJKSA-N 1 2 340.471 3.217 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@H]2CCCc3c2cnn3C)c1C ZINC000135556710 454688982 /nfs/dbraw/zinc/68/89/82/454688982.db2.gz LKNGTBHNKZXXRZ-SFHVURJKSA-N 1 2 340.471 3.217 20 30 EGEDLO CCn1cc[nH+]c1/C=C/C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000136248162 454732744 /nfs/dbraw/zinc/73/27/44/454732744.db2.gz AGFALYPECYNZEG-CMDGGOBGSA-N 1 2 347.340 3.103 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc(C(N)=O)cs1 ZINC000093872479 454742643 /nfs/dbraw/zinc/74/26/43/454742643.db2.gz OXLNJHTUOKMJRI-DLBZAZTESA-N 1 2 325.437 3.119 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc(C(N)=O)cs1 ZINC000093872479 454742647 /nfs/dbraw/zinc/74/26/47/454742647.db2.gz OXLNJHTUOKMJRI-DLBZAZTESA-N 1 2 325.437 3.119 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000153196068 454769422 /nfs/dbraw/zinc/76/94/22/454769422.db2.gz CAOJHHJRVCRMNA-FZKQIMNGSA-N 1 2 333.863 3.141 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000153196068 454769425 /nfs/dbraw/zinc/76/94/25/454769425.db2.gz CAOJHHJRVCRMNA-FZKQIMNGSA-N 1 2 333.863 3.141 20 30 EGEDLO COCC[N@H+](Cc1nc2ccc(F)cc2o1)Cc1ccc(C#N)cc1 ZINC000163214736 454830878 /nfs/dbraw/zinc/83/08/78/454830878.db2.gz JESMOWOKINRFRJ-UHFFFAOYSA-N 1 2 339.370 3.487 20 30 EGEDLO COCC[N@@H+](Cc1nc2ccc(F)cc2o1)Cc1ccc(C#N)cc1 ZINC000163214736 454830880 /nfs/dbraw/zinc/83/08/80/454830880.db2.gz JESMOWOKINRFRJ-UHFFFAOYSA-N 1 2 339.370 3.487 20 30 EGEDLO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC(C#N)CC1 ZINC000141942283 454832842 /nfs/dbraw/zinc/83/28/42/454832842.db2.gz DATUNQIMOUFNLZ-AWEZNQCLSA-N 1 2 325.412 3.188 20 30 EGEDLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000182226514 455465549 /nfs/dbraw/zinc/46/55/49/455465549.db2.gz ZQTFFIXYHOGJTQ-UHFFFAOYSA-N 1 2 329.341 3.156 20 30 EGEDLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000182226514 455465554 /nfs/dbraw/zinc/46/55/54/455465554.db2.gz ZQTFFIXYHOGJTQ-UHFFFAOYSA-N 1 2 329.341 3.156 20 30 EGEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NCc1ccc(Cl)s1 ZINC000111250672 454858778 /nfs/dbraw/zinc/85/87/78/454858778.db2.gz PVFRZUMHWBCLCQ-UHFFFAOYSA-N 1 2 327.881 3.279 20 30 EGEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NCc1ccc(Cl)s1 ZINC000111250672 454858779 /nfs/dbraw/zinc/85/87/79/454858779.db2.gz PVFRZUMHWBCLCQ-UHFFFAOYSA-N 1 2 327.881 3.279 20 30 EGEDLO C[C@]([NH2+]CC#Cc1cccc(Cl)c1)(C(N)=O)c1cccc(Cl)c1 ZINC000127256360 454948816 /nfs/dbraw/zinc/94/88/16/454948816.db2.gz LPKDTUUIDARRAE-GOSISDBHSA-N 1 2 347.245 3.335 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)Nc1cccc(C#N)c1C ZINC000178547915 454961544 /nfs/dbraw/zinc/96/15/44/454961544.db2.gz GCAOCDLPPYHZMA-UHFFFAOYSA-N 1 2 333.395 3.347 20 30 EGEDLO COC(=O)[C@H]([NH2+]C1CCC(OC(C)C)CC1)c1cccc(C#N)c1 ZINC000155162288 454969696 /nfs/dbraw/zinc/96/96/96/454969696.db2.gz PSKHPYFPFRXVIU-DAWZGUTISA-N 1 2 330.428 3.098 20 30 EGEDLO C[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000127591934 454980203 /nfs/dbraw/zinc/98/02/03/454980203.db2.gz TVBNSQKJUKCSLW-LBPRGKRZSA-N 1 2 328.803 3.238 20 30 EGEDLO C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000127591934 454980208 /nfs/dbraw/zinc/98/02/08/454980208.db2.gz TVBNSQKJUKCSLW-LBPRGKRZSA-N 1 2 328.803 3.238 20 30 EGEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000114806871 454980396 /nfs/dbraw/zinc/98/03/96/454980396.db2.gz VLWNSTHFTHVUBW-MRXNPFEDSA-N 1 2 349.438 3.058 20 30 EGEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc(C#N)s1 ZINC000179941666 455102786 /nfs/dbraw/zinc/10/27/86/455102786.db2.gz LVLGDXFULWPYKO-LBPRGKRZSA-N 1 2 334.466 3.216 20 30 EGEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000179941666 455102792 /nfs/dbraw/zinc/10/27/92/455102792.db2.gz LVLGDXFULWPYKO-LBPRGKRZSA-N 1 2 334.466 3.216 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(F)c(Cl)c3)CC2)nc1 ZINC000179986406 455111588 /nfs/dbraw/zinc/11/15/88/455111588.db2.gz UQVKGIRQIADAMX-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO N#Cc1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000264766297 455279121 /nfs/dbraw/zinc/27/91/21/455279121.db2.gz VFEXTYKCYCQHEA-GFCCVEGCSA-N 1 2 329.791 3.346 20 30 EGEDLO C=CCCC[C@@H](C)NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000181391923 455328167 /nfs/dbraw/zinc/32/81/67/455328167.db2.gz AHTMAMPACBCRBL-IAGOWNOFSA-N 1 2 330.476 3.215 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000183960428 455343445 /nfs/dbraw/zinc/34/34/45/455343445.db2.gz MSYGEJKKWAXNDF-HNNXBMFYSA-N 1 2 337.398 3.216 20 30 EGEDLO N#Cc1c(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)cn2ccccc12 ZINC000159064970 455348601 /nfs/dbraw/zinc/34/86/01/455348601.db2.gz RYFPVGKSMNQGPK-JOCHJYFZSA-N 1 2 343.430 3.485 20 30 EGEDLO N#Cc1c(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)cn2ccccc12 ZINC000159064970 455348605 /nfs/dbraw/zinc/34/86/05/455348605.db2.gz RYFPVGKSMNQGPK-JOCHJYFZSA-N 1 2 343.430 3.485 20 30 EGEDLO N#CC1CC[NH+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000182099443 455435087 /nfs/dbraw/zinc/43/50/87/455435087.db2.gz IQIHOYOBTFSRHD-UHFFFAOYSA-N 1 2 336.226 3.310 20 30 EGEDLO C=CC[N@@H+](CCOC)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000191115143 455445173 /nfs/dbraw/zinc/44/51/73/455445173.db2.gz CMUWLBFPEVXWLG-UHFFFAOYSA-N 1 2 341.333 3.390 20 30 EGEDLO C=CC[N@H+](CCOC)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000191115143 455445178 /nfs/dbraw/zinc/44/51/78/455445178.db2.gz CMUWLBFPEVXWLG-UHFFFAOYSA-N 1 2 341.333 3.390 20 30 EGEDLO CC[N@H+](CCC#N)CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000266951612 455481621 /nfs/dbraw/zinc/48/16/21/455481621.db2.gz UIJVDIITAKOTLF-LBPRGKRZSA-N 1 2 343.500 3.176 20 30 EGEDLO CC[N@@H+](CCC#N)CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000266951612 455481625 /nfs/dbraw/zinc/48/16/25/455481625.db2.gz UIJVDIITAKOTLF-LBPRGKRZSA-N 1 2 343.500 3.176 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000185031014 455489177 /nfs/dbraw/zinc/48/91/77/455489177.db2.gz BMTVYULJPMWKDH-HNNXBMFYSA-N 1 2 334.435 3.081 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000246582392 455509045 /nfs/dbraw/zinc/50/90/45/455509045.db2.gz SOSHTFBSKODJAB-ZOBUZTSGSA-N 1 2 334.485 3.099 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000246582392 455509050 /nfs/dbraw/zinc/50/90/50/455509050.db2.gz SOSHTFBSKODJAB-ZOBUZTSGSA-N 1 2 334.485 3.099 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCO[C@H](C)C1 ZINC000246826592 455528351 /nfs/dbraw/zinc/52/83/51/455528351.db2.gz AFSNAKAPXHHREJ-HUUCEWRRSA-N 1 2 347.484 3.130 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCO[C@H](C)C1 ZINC000246826592 455528353 /nfs/dbraw/zinc/52/83/53/455528353.db2.gz AFSNAKAPXHHREJ-HUUCEWRRSA-N 1 2 347.484 3.130 20 30 EGEDLO N#Cc1cccc(-c2csc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)n2)c1 ZINC000161105598 455533394 /nfs/dbraw/zinc/53/33/94/455533394.db2.gz XWIWWQIREQLDJJ-CQSZACIVSA-N 1 2 349.419 3.079 20 30 EGEDLO C[N@H+](Cc1ccccc1F)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182592952 455549493 /nfs/dbraw/zinc/54/94/93/455549493.db2.gz UMTLONATDWQLLD-LJQANCHMSA-N 1 2 337.398 3.325 20 30 EGEDLO C[N@@H+](Cc1ccccc1F)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182592952 455549497 /nfs/dbraw/zinc/54/94/97/455549497.db2.gz UMTLONATDWQLLD-LJQANCHMSA-N 1 2 337.398 3.325 20 30 EGEDLO C=CCn1c(Cc2ccccc2)nnc1SCCCn1cc[nH+]c1 ZINC000185526210 455573420 /nfs/dbraw/zinc/57/34/20/455573420.db2.gz YBRIBGUTCVNDSK-UHFFFAOYSA-N 1 2 339.468 3.434 20 30 EGEDLO CC#CCCCC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000186109336 455695281 /nfs/dbraw/zinc/69/52/81/455695281.db2.gz MGOHWSBHJZMMDQ-IEBWSBKVSA-N 1 2 348.874 3.022 20 30 EGEDLO CC#CCCCC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000186109336 455695286 /nfs/dbraw/zinc/69/52/86/455695286.db2.gz MGOHWSBHJZMMDQ-IEBWSBKVSA-N 1 2 348.874 3.022 20 30 EGEDLO C=CCOc1ccc(CC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000294464616 455816718 /nfs/dbraw/zinc/81/67/18/455816718.db2.gz DVDGHOFVWMMHPQ-UHFFFAOYSA-N 1 2 339.439 3.197 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000253385429 455837093 /nfs/dbraw/zinc/83/70/93/455837093.db2.gz SPCINFJWRHEXLP-KGLIPLIRSA-N 1 2 337.489 3.295 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000253385429 455837098 /nfs/dbraw/zinc/83/70/98/455837098.db2.gz SPCINFJWRHEXLP-KGLIPLIRSA-N 1 2 337.489 3.295 20 30 EGEDLO C=CCOc1ccccc1-c1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000285440689 455846946 /nfs/dbraw/zinc/84/69/46/455846946.db2.gz PMBOUDQGBLEFTN-INIZCTEOSA-N 1 2 329.400 3.083 20 30 EGEDLO C=CCOc1ccccc1-c1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000285440689 455846948 /nfs/dbraw/zinc/84/69/48/455846948.db2.gz PMBOUDQGBLEFTN-INIZCTEOSA-N 1 2 329.400 3.083 20 30 EGEDLO CN(CC#Cc1ccc(F)cc1)Cc1[nH+]ccn1CC(F)(F)F ZINC000269567903 455848815 /nfs/dbraw/zinc/84/88/15/455848815.db2.gz LHZKQCPDESLMQL-UHFFFAOYSA-N 1 2 325.309 3.068 20 30 EGEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000278911726 455852229 /nfs/dbraw/zinc/85/22/29/455852229.db2.gz KSPOBAYHZPCPLZ-SNVBAGLBSA-N 1 2 333.379 3.013 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(OC(F)F)c(F)c2)n1 ZINC000279380509 455863095 /nfs/dbraw/zinc/86/30/95/455863095.db2.gz KCNMQXGWVZPXSF-UHFFFAOYSA-N 1 2 337.345 3.279 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(OC(F)F)c(F)c2)n1 ZINC000279380509 455863101 /nfs/dbraw/zinc/86/31/01/455863101.db2.gz KCNMQXGWVZPXSF-UHFFFAOYSA-N 1 2 337.345 3.279 20 30 EGEDLO Cc1sccc1/C=C/C(=O)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000296014039 455866587 /nfs/dbraw/zinc/86/65/87/455866587.db2.gz UAURQRQWHFKDIN-DUXPYHPUSA-N 1 2 343.448 3.490 20 30 EGEDLO C[C@@H](c1nnc(S[C@H](C#N)C2CC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000601071401 460699809 /nfs/dbraw/zinc/69/98/09/460699809.db2.gz XCBDDVZSPYXUOA-XHDPSFHLSA-N 1 2 345.447 3.423 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3csc(C4CC4)n3)CC2)cc1 ZINC000270306493 455925520 /nfs/dbraw/zinc/92/55/20/455925520.db2.gz FYYLXSROBKDBSV-UHFFFAOYSA-N 1 2 338.480 3.210 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000195675099 455993112 /nfs/dbraw/zinc/99/31/12/455993112.db2.gz PKZRGUVYRSVTBU-ZIFCJYIRSA-N 1 2 330.472 3.262 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000195675099 455993116 /nfs/dbraw/zinc/99/31/16/455993116.db2.gz PKZRGUVYRSVTBU-ZIFCJYIRSA-N 1 2 330.472 3.262 20 30 EGEDLO C#CCOc1ccccc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000188133522 456005062 /nfs/dbraw/zinc/00/50/62/456005062.db2.gz KJBWMRPYWURXRY-WBVHZDCISA-N 1 2 338.411 3.010 20 30 EGEDLO CC1(C)C[N@H+](CC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000286741414 456053459 /nfs/dbraw/zinc/05/34/59/456053459.db2.gz IBHPUSIRXXYYPT-GOSISDBHSA-N 1 2 339.464 3.319 20 30 EGEDLO CC1(C)C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000286741414 456053464 /nfs/dbraw/zinc/05/34/64/456053464.db2.gz IBHPUSIRXXYYPT-GOSISDBHSA-N 1 2 339.464 3.319 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000188385259 456054499 /nfs/dbraw/zinc/05/44/99/456054499.db2.gz XWEWMTWCALCXLH-IBGZPJMESA-N 1 2 327.428 3.468 20 30 EGEDLO COc1cc(C(=O)/C=C/c2ccc(N(C)C(C)C)[nH+]c2)c(F)cn1 ZINC000287320092 456066592 /nfs/dbraw/zinc/06/65/92/456066592.db2.gz VDWVRWBPBAOMSV-FNORWQNLSA-N 1 2 329.375 3.365 20 30 EGEDLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+](CCC#N)CCC(C)C ZINC000271179880 456157717 /nfs/dbraw/zinc/15/77/17/456157717.db2.gz WNCQVTDEMZCQHM-UHFFFAOYSA-N 1 2 348.491 3.213 20 30 EGEDLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+](CCC#N)CCC(C)C ZINC000271179880 456157724 /nfs/dbraw/zinc/15/77/24/456157724.db2.gz WNCQVTDEMZCQHM-UHFFFAOYSA-N 1 2 348.491 3.213 20 30 EGEDLO C=CCOc1ccccc1CNc1ccc(N2CCOCC2)[nH+]c1 ZINC000236678219 456166873 /nfs/dbraw/zinc/16/68/73/456166873.db2.gz VWHFVXUYNWCXGW-UHFFFAOYSA-N 1 2 325.412 3.095 20 30 EGEDLO C=CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)c1nc2c(s1)CCCC2 ZINC000333160971 456169238 /nfs/dbraw/zinc/16/92/38/456169238.db2.gz HGPSLJYRBDPRAN-ZDUSSCGKSA-N 1 2 342.468 3.000 20 30 EGEDLO C=C(C)COc1cc(C[N@H+]2CCCN(CCC)C(=O)C2)ccc1OC ZINC000189206829 456254846 /nfs/dbraw/zinc/25/48/46/456254846.db2.gz LYWZJCIEVUWEKM-UHFFFAOYSA-N 1 2 346.471 3.094 20 30 EGEDLO C=C(C)COc1cc(C[N@@H+]2CCCN(CCC)C(=O)C2)ccc1OC ZINC000189206829 456254850 /nfs/dbraw/zinc/25/48/50/456254850.db2.gz LYWZJCIEVUWEKM-UHFFFAOYSA-N 1 2 346.471 3.094 20 30 EGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1ccc(CC#N)cc1 ZINC000340203434 456313174 /nfs/dbraw/zinc/31/31/74/456313174.db2.gz OEJSSFQVYPGLAW-UHFFFAOYSA-N 1 2 344.418 3.270 20 30 EGEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000297896382 456320137 /nfs/dbraw/zinc/32/01/37/456320137.db2.gz ONZKAXPMHCRKOY-LBPRGKRZSA-N 1 2 340.254 3.443 20 30 EGEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1nc(-c2ccncc2)cs1 ZINC000352809903 456327799 /nfs/dbraw/zinc/32/77/99/456327799.db2.gz JZUBFGCOIKTUDN-JTQLQIEISA-N 1 2 327.438 3.384 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCCc2cc(C#N)ccc21 ZINC000297941813 456330152 /nfs/dbraw/zinc/33/01/52/456330152.db2.gz ZXQBDFMNSZQLOI-UHFFFAOYSA-N 1 2 330.391 3.196 20 30 EGEDLO C=CCN1CC[C@@H]([NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)C1=O ZINC000281876041 456346824 /nfs/dbraw/zinc/34/68/24/456346824.db2.gz COVYQVLVLHJGIN-MSOLQXFVSA-N 1 2 341.842 3.201 20 30 EGEDLO C=CCN1CC[C@H]([NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)C1=O ZINC000281876073 456346849 /nfs/dbraw/zinc/34/68/49/456346849.db2.gz COVYQVLVLHJGIN-ZWKOTPCHSA-N 1 2 341.842 3.201 20 30 EGEDLO C#Cc1cccc(NC(=O)CN(C)c2cc(C(F)(F)F)cc[nH+]2)c1 ZINC000302689342 456375485 /nfs/dbraw/zinc/37/54/85/456375485.db2.gz UWRRHEMAJDUDPK-UHFFFAOYSA-N 1 2 333.313 3.157 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000276109334 456390931 /nfs/dbraw/zinc/39/09/31/456390931.db2.gz WZMCIZMLBQPURM-KRWDZBQOSA-N 1 2 332.492 3.260 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000276109334 456390937 /nfs/dbraw/zinc/39/09/37/456390937.db2.gz WZMCIZMLBQPURM-KRWDZBQOSA-N 1 2 332.492 3.260 20 30 EGEDLO N#Cc1ccc(C2=CC[N@H+](Cc3nnc4n3CCCCC4)CC2)cc1 ZINC000347958171 456429272 /nfs/dbraw/zinc/42/92/72/456429272.db2.gz NOQMXKQRJADXSD-UHFFFAOYSA-N 1 2 333.439 3.165 20 30 EGEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3nnc4n3CCCCC4)CC2)cc1 ZINC000347958171 456429277 /nfs/dbraw/zinc/42/92/77/456429277.db2.gz NOQMXKQRJADXSD-UHFFFAOYSA-N 1 2 333.439 3.165 20 30 EGEDLO COc1cc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)ccc1C#N ZINC000282241879 456453085 /nfs/dbraw/zinc/45/30/85/456453085.db2.gz JBOBQCMYLFGHCG-UHFFFAOYSA-N 1 2 338.407 3.142 20 30 EGEDLO COc1cc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)ccc1C#N ZINC000282241879 456453089 /nfs/dbraw/zinc/45/30/89/456453089.db2.gz JBOBQCMYLFGHCG-UHFFFAOYSA-N 1 2 338.407 3.142 20 30 EGEDLO C=CCOc1ccc(CNc2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000343225410 456464273 /nfs/dbraw/zinc/46/42/73/456464273.db2.gz JTPXTDKTHKSWSQ-UHFFFAOYSA-N 1 2 342.468 3.207 20 30 EGEDLO C=CCOc1ccc(CNc2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000343225410 456464284 /nfs/dbraw/zinc/46/42/84/456464284.db2.gz JTPXTDKTHKSWSQ-UHFFFAOYSA-N 1 2 342.468 3.207 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c(F)c1 ZINC000337694048 456486502 /nfs/dbraw/zinc/48/65/02/456486502.db2.gz RCVLYVAVVWYORB-UHFFFAOYSA-N 1 2 331.341 3.298 20 30 EGEDLO N#CC1(c2ccc(C(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)cc2)CC1 ZINC000343341675 456544249 /nfs/dbraw/zinc/54/42/49/456544249.db2.gz JNOYYYWJSOFFJR-UHFFFAOYSA-N 1 2 343.390 3.134 20 30 EGEDLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1ccc(Cl)cc1C#N ZINC000353186200 456545211 /nfs/dbraw/zinc/54/52/11/456545211.db2.gz CRPKUWJOXFIPTF-UHFFFAOYSA-N 1 2 333.863 3.436 20 30 EGEDLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc(Cl)cc1C#N ZINC000353186200 456545218 /nfs/dbraw/zinc/54/52/18/456545218.db2.gz CRPKUWJOXFIPTF-UHFFFAOYSA-N 1 2 333.863 3.436 20 30 EGEDLO C#CCC1(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)CCCCC1 ZINC000276708902 456556752 /nfs/dbraw/zinc/55/67/52/456556752.db2.gz VIPLIDXUOMEUON-GOSISDBHSA-N 1 2 339.483 3.261 20 30 EGEDLO N#CCCN(Cc1c[nH+]c2ccc(Cl)cn12)Cc1ccccn1 ZINC000353415816 456686235 /nfs/dbraw/zinc/68/62/35/456686235.db2.gz JUPLANMBSOMPHH-UHFFFAOYSA-N 1 2 325.803 3.299 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H](O)C1CCCCC1)C2 ZINC000328618609 456719715 /nfs/dbraw/zinc/71/97/15/456719715.db2.gz VGCYQYSNGACAKF-YOEHRIQHSA-N 1 2 333.476 3.393 20 30 EGEDLO O=C(CCNC(=O)C1CCCCC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328721328 456745917 /nfs/dbraw/zinc/74/59/17/456745917.db2.gz WSUCSMIGKMBKIZ-UHFFFAOYSA-N 1 2 332.448 3.043 20 30 EGEDLO N#Cc1cccc(CN(CC[NH+]2CCOCC2)c2ccccc2)c1F ZINC000340897573 456746299 /nfs/dbraw/zinc/74/62/99/456746299.db2.gz JNOYWGTUNUABHM-UHFFFAOYSA-N 1 2 339.414 3.036 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NCc1ncc(C(C)(C)C)o1)CCC2 ZINC000328736041 456748939 /nfs/dbraw/zinc/74/89/39/456748939.db2.gz ZJABTCQEZISTNP-ZDUSSCGKSA-N 1 2 345.447 3.058 20 30 EGEDLO CC1CCC(N2C[C@H](C(=O)Nc3ccn4cc[nH+]c4c3)CC2=O)CC1 ZINC000328795732 456762751 /nfs/dbraw/zinc/76/27/51/456762751.db2.gz UHCVSFQZVASDRD-NPCAHTBFSA-N 1 2 340.427 3.350 20 30 EGEDLO CC(=O)N1CCCC[C@H]1C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000328827041 456769962 /nfs/dbraw/zinc/76/99/62/456769962.db2.gz IGTYZIBBGHHNRA-KRWDZBQOSA-N 1 2 340.427 3.440 20 30 EGEDLO N#Cc1cc(C(=O)N(Cc2[nH]cc[nH+]2)c2cccc(F)c2)ccc1F ZINC000353571245 456771998 /nfs/dbraw/zinc/77/19/98/456771998.db2.gz YPYSAXJYVMDLIJ-UHFFFAOYSA-N 1 2 338.317 3.407 20 30 EGEDLO Cn1ncc(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c1C1CC1 ZINC000328880388 456783071 /nfs/dbraw/zinc/78/30/71/456783071.db2.gz LUSKOWQQANRCPQ-CYBMUJFWSA-N 1 2 341.459 3.111 20 30 EGEDLO C[C@@H]1CCN(C([O-])=[NH+]c2scnc2C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000328908136 456789472 /nfs/dbraw/zinc/78/94/72/456789472.db2.gz CRHHSGKCUGXYEQ-DGCLKSJQSA-N 1 2 331.445 3.346 20 30 EGEDLO CC(C)c1ccccc1NC(=O)C[N@@H+]1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000328964464 456802558 /nfs/dbraw/zinc/80/25/58/456802558.db2.gz LXMMCZDQYIBSGE-BHIYHBOVSA-N 1 2 346.471 3.260 20 30 EGEDLO CC(C)c1ccccc1NC(=O)C[N@H+]1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000328964464 456802561 /nfs/dbraw/zinc/80/25/61/456802561.db2.gz LXMMCZDQYIBSGE-BHIYHBOVSA-N 1 2 346.471 3.260 20 30 EGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(N)[nH+]c1 ZINC000338441344 456820006 /nfs/dbraw/zinc/82/00/06/456820006.db2.gz YVVLMYPBKWPXBL-LBPRGKRZSA-N 1 2 341.440 3.068 20 30 EGEDLO Cc1noc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3Cl)C2)n1 ZINC000329064093 456826054 /nfs/dbraw/zinc/82/60/54/456826054.db2.gz VPKMAZPSTWTIND-JQWIXIFHSA-N 1 2 334.807 3.497 20 30 EGEDLO Cc1noc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3Cl)C2)n1 ZINC000329064093 456826058 /nfs/dbraw/zinc/82/60/58/456826058.db2.gz VPKMAZPSTWTIND-JQWIXIFHSA-N 1 2 334.807 3.497 20 30 EGEDLO C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000329102491 456834844 /nfs/dbraw/zinc/83/48/44/456834844.db2.gz BTOLDUUUGUWZKD-DZGCQCFKSA-N 1 2 332.448 3.389 20 30 EGEDLO Cc1ccn2cc(CNC(=O)N3CCCC[C@@H]3c3cn[nH]c3)[nH+]c2c1 ZINC000329267225 456864621 /nfs/dbraw/zinc/86/46/21/456864621.db2.gz GAEYHBHXTWNEKF-MRXNPFEDSA-N 1 2 338.415 3.007 20 30 EGEDLO CC1(C)[C@H](NC(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@@H]2CCCO[C@@H]21 ZINC000329275029 456865159 /nfs/dbraw/zinc/86/51/59/456865159.db2.gz JOTGIMRVNONQAH-KSZLIROESA-N 1 2 339.439 3.440 20 30 EGEDLO CN(C)C(=O)C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1 ZINC000341502708 456871027 /nfs/dbraw/zinc/87/10/27/456871027.db2.gz CRHUEAFXDDQGAU-SFHVURJKSA-N 1 2 325.387 3.007 20 30 EGEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCc1cc(C)cc2c(C)c(C)[nH]c21 ZINC000329379904 456882476 /nfs/dbraw/zinc/88/24/76/456882476.db2.gz NEOZXVRMFVOKDK-QGZVFWFLSA-N 1 2 329.444 3.270 20 30 EGEDLO CC[N@H+]1CCOC[C@@H]1C(=O)NCc1cc(C)cc2c(C)c(C)[nH]c21 ZINC000329379904 456882480 /nfs/dbraw/zinc/88/24/80/456882480.db2.gz NEOZXVRMFVOKDK-QGZVFWFLSA-N 1 2 329.444 3.270 20 30 EGEDLO C[C@@H](C(=O)Nc1cc2c(cc1F)CCC(=O)N2)[NH+]1CCSCC1 ZINC000329392209 456884075 /nfs/dbraw/zinc/88/40/75/456884075.db2.gz SAEXABMTRWOAER-JTQLQIEISA-N 1 2 337.420 3.385 20 30 EGEDLO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCOCC2(CC2)C1 ZINC000329443964 456891469 /nfs/dbraw/zinc/89/14/69/456891469.db2.gz KNVWQOVDDJHDDV-LBPRGKRZSA-N 1 2 331.441 3.385 20 30 EGEDLO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCOCC2(CC2)C1 ZINC000329443964 456891473 /nfs/dbraw/zinc/89/14/73/456891473.db2.gz KNVWQOVDDJHDDV-LBPRGKRZSA-N 1 2 331.441 3.385 20 30 EGEDLO C[C@@H]1CCN(C(=O)N[C@H](C2CC2)C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000329554644 456908149 /nfs/dbraw/zinc/90/81/49/456908149.db2.gz KKJPVCFYSVRTJG-KGYLQXTDSA-N 1 2 330.354 3.021 20 30 EGEDLO CC1(C)C[N@H+](CC(=O)Nc2nc3c(s2)CCCC3)[C@H]1[C@@H]1CCCO1 ZINC000329803395 456942635 /nfs/dbraw/zinc/94/26/35/456942635.db2.gz ZQJWSSKHXBPYDR-BBRMVZONSA-N 1 2 349.500 3.499 20 30 EGEDLO CC1(C)C[N@@H+](CC(=O)Nc2nc3c(s2)CCCC3)[C@H]1[C@@H]1CCCO1 ZINC000329803395 456942638 /nfs/dbraw/zinc/94/26/38/456942638.db2.gz ZQJWSSKHXBPYDR-BBRMVZONSA-N 1 2 349.500 3.499 20 30 EGEDLO CCC1(CNC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)CCOCC1 ZINC000329809589 456943991 /nfs/dbraw/zinc/94/39/91/456943991.db2.gz QDPLCHDIMYFKJZ-UHFFFAOYSA-N 1 2 348.491 3.022 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]1CCCCC(=O)N1)C2 ZINC000329869277 456953600 /nfs/dbraw/zinc/95/36/00/456953600.db2.gz YOIYHKBMOFSCGZ-STQMWFEESA-N 1 2 332.448 3.351 20 30 EGEDLO CC[C@@H](NC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1)C1CCOCC1 ZINC000329905888 456959442 /nfs/dbraw/zinc/95/94/42/456959442.db2.gz RSZGQWAMJBBURX-OAHLLOKOSA-N 1 2 348.491 3.021 20 30 EGEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)C1CCCCCC1 ZINC000329931963 456962862 /nfs/dbraw/zinc/96/28/62/456962862.db2.gz BKLGGKWCOQUCEB-HOTGVXAUSA-N 1 2 336.455 3.259 20 30 EGEDLO N#C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1c(Cl)cccc1Cl ZINC000349431381 456967611 /nfs/dbraw/zinc/96/76/11/456967611.db2.gz LRWTWLGALIHGAU-QMTHXVAHSA-N 1 2 349.221 3.133 20 30 EGEDLO Cc1ccc(NC(=O)C[NH+]2CCC(N3CCCCC3=O)CC2)c(F)c1 ZINC000330080105 456981978 /nfs/dbraw/zinc/98/19/78/456981978.db2.gz JDKZYDMSCBVBNW-UHFFFAOYSA-N 1 2 347.434 3.199 20 30 EGEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000349578829 456991310 /nfs/dbraw/zinc/99/13/10/456991310.db2.gz RUEBRZRCDFXBQB-UHFFFAOYSA-N 1 2 342.464 3.271 20 30 EGEDLO C[C@@H]1C[N@@H+]([C@H](C(=O)NC2CC2)c2ccccc2)C[C@]2(CCCOC2)O1 ZINC000330144732 456992181 /nfs/dbraw/zinc/99/21/81/456992181.db2.gz ZSLWOYBDYIKMSP-BPAFIMBUSA-N 1 2 344.455 3.117 20 30 EGEDLO C[C@@H]1C[N@H+]([C@H](C(=O)NC2CC2)c2ccccc2)C[C@]2(CCCOC2)O1 ZINC000330144732 456992186 /nfs/dbraw/zinc/99/21/86/456992186.db2.gz ZSLWOYBDYIKMSP-BPAFIMBUSA-N 1 2 344.455 3.117 20 30 EGEDLO Cc1c[nH]c(-c2ccccc2NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)[nH+]1 ZINC000330177412 456996477 /nfs/dbraw/zinc/99/64/77/456996477.db2.gz KQYYNVBDZUANGQ-WOSRLPQWSA-N 1 2 327.384 3.025 20 30 EGEDLO Cc1ccc([C@@H]2C[C@H](C)N(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)C2)cc1 ZINC000330229312 457008085 /nfs/dbraw/zinc/00/80/85/457008085.db2.gz QCKPPONNIWWSPV-CGTJXYLNSA-N 1 2 338.455 3.298 20 30 EGEDLO Cc1ccc([C@@H]2C[C@H](C)N(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)C2)cc1 ZINC000330229312 457008089 /nfs/dbraw/zinc/00/80/89/457008089.db2.gz QCKPPONNIWWSPV-CGTJXYLNSA-N 1 2 338.455 3.298 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H](C)[C@@H]1CCCCO1 ZINC000330279904 457020826 /nfs/dbraw/zinc/02/08/26/457020826.db2.gz RTBBYEJWEGIGTB-PMPSAXMXSA-N 1 2 334.464 3.302 20 30 EGEDLO CC1=C(C)CN(C([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000330283480 457020991 /nfs/dbraw/zinc/02/09/91/457020991.db2.gz WEENODSATBMQJZ-HNNXBMFYSA-N 1 2 330.476 3.452 20 30 EGEDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000358902593 457032958 /nfs/dbraw/zinc/03/29/58/457032958.db2.gz KHGXHUPXMRWSLZ-UHFFFAOYSA-N 1 2 346.390 3.133 20 30 EGEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)CCC3)CCO1 ZINC000330360593 457035615 /nfs/dbraw/zinc/03/56/15/457035615.db2.gz XIGYMMYUFDFIGN-WMZOPIPTSA-N 1 2 340.427 3.155 20 30 EGEDLO N#Cc1cc(F)c(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)c(F)c1 ZINC000342034470 457071243 /nfs/dbraw/zinc/07/12/43/457071243.db2.gz GQTAQFTYWSVHDX-UHFFFAOYSA-N 1 2 338.317 3.157 20 30 EGEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)Nc1ccc(Br)cc1 ZINC000330829616 457092087 /nfs/dbraw/zinc/09/20/87/457092087.db2.gz JJVVKDMQWSHISW-COPLHBTASA-N 1 2 336.233 3.058 20 30 EGEDLO COc1ccccc1[C@@H](C)N(C)C(=O)C[N@H+](CCC#N)CCC(C)C ZINC000356649158 457101635 /nfs/dbraw/zinc/10/16/35/457101635.db2.gz GTEIATNLFHAHRP-QGZVFWFLSA-N 1 2 345.487 3.476 20 30 EGEDLO COc1ccccc1[C@@H](C)N(C)C(=O)C[N@@H+](CCC#N)CCC(C)C ZINC000356649158 457101641 /nfs/dbraw/zinc/10/16/41/457101641.db2.gz GTEIATNLFHAHRP-QGZVFWFLSA-N 1 2 345.487 3.476 20 30 EGEDLO FC(F)n1ccc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000346673938 457106745 /nfs/dbraw/zinc/10/67/45/457106745.db2.gz LOMALNLALHOOSG-UHFFFAOYSA-N 1 2 329.272 3.438 20 30 EGEDLO O=C(NCCC(F)(F)F)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000330935944 457107000 /nfs/dbraw/zinc/10/70/00/457107000.db2.gz PRVDCZYUJUHKNC-UHFFFAOYSA-N 1 2 330.354 3.028 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)CC(C)(C)C#N)CC1 ZINC000354191343 457121946 /nfs/dbraw/zinc/12/19/46/457121946.db2.gz NDEOPTNPHWVHFG-CQSZACIVSA-N 1 2 333.863 3.485 20 30 EGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@H]1CCCC1(C)C ZINC000331150418 457139936 /nfs/dbraw/zinc/13/99/36/457139936.db2.gz BRZSQLQBMBZBFI-NSHDSACASA-N 1 2 332.370 3.370 20 30 EGEDLO C=CC[C@H](CC)NC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000359936944 457157563 /nfs/dbraw/zinc/15/75/63/457157563.db2.gz YYZVAYPVQMPJBJ-WFASDCNBSA-N 1 2 325.403 3.221 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000354266171 457164069 /nfs/dbraw/zinc/16/40/69/457164069.db2.gz NGKIQKZYZNFYNY-HNNXBMFYSA-N 1 2 341.455 3.325 20 30 EGEDLO Cc1nc(C(C)(C)C)sc1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000331319446 457166032 /nfs/dbraw/zinc/16/60/32/457166032.db2.gz DRZYRBKIYVYEFQ-UHFFFAOYSA-N 1 2 339.505 3.164 20 30 EGEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000331506689 457196728 /nfs/dbraw/zinc/19/67/28/457196728.db2.gz QOTHIRCCDBQWFL-JBLDHEPKSA-N 1 2 332.404 3.044 20 30 EGEDLO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000347058758 457208440 /nfs/dbraw/zinc/20/84/40/457208440.db2.gz QPQMQUKCJDJPTP-JKSUJKDBSA-N 1 2 337.261 3.446 20 30 EGEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000347226819 457298878 /nfs/dbraw/zinc/29/88/78/457298878.db2.gz ATWHQGLFUJASSA-IBGZPJMESA-N 1 2 349.434 3.194 20 30 EGEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000347226819 457298888 /nfs/dbraw/zinc/29/88/88/457298888.db2.gz ATWHQGLFUJASSA-IBGZPJMESA-N 1 2 349.434 3.194 20 30 EGEDLO COC[C@@H]([NH2+]Cc1ccc(Br)cc1C#N)c1ccco1 ZINC000347235706 457303751 /nfs/dbraw/zinc/30/37/51/457303751.db2.gz SMVNCWGGJMOUCN-CQSZACIVSA-N 1 2 335.201 3.391 20 30 EGEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000352413514 457360995 /nfs/dbraw/zinc/36/09/95/457360995.db2.gz PNSWMNTYJSUSIB-CQSZACIVSA-N 1 2 332.473 3.114 20 30 EGEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000352413514 457361003 /nfs/dbraw/zinc/36/10/03/457361003.db2.gz PNSWMNTYJSUSIB-CQSZACIVSA-N 1 2 332.473 3.114 20 30 EGEDLO C=CCc1cc(C[N@H+](C)Cc2cn3c(n2)CCCC3)cc(OC)c1O ZINC000373880377 457382392 /nfs/dbraw/zinc/38/23/92/457382392.db2.gz HCUBXAXQMIDRSC-UHFFFAOYSA-N 1 2 341.455 3.294 20 30 EGEDLO C=CCc1cc(C[N@@H+](C)Cc2cn3c(n2)CCCC3)cc(OC)c1O ZINC000373880377 457382396 /nfs/dbraw/zinc/38/23/96/457382396.db2.gz HCUBXAXQMIDRSC-UHFFFAOYSA-N 1 2 341.455 3.294 20 30 EGEDLO C=CCc1cc(CN(C)Cc2cn3c([nH+]2)CCCC3)cc(OC)c1O ZINC000373880377 457382400 /nfs/dbraw/zinc/38/24/00/457382400.db2.gz HCUBXAXQMIDRSC-UHFFFAOYSA-N 1 2 341.455 3.294 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC(F)(C#N)CC1 ZINC000352484909 457404764 /nfs/dbraw/zinc/40/47/64/457404764.db2.gz VFYRKNMNHSGIDP-LLVKDONJSA-N 1 2 343.324 3.360 20 30 EGEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCC3(CC#N)CC3)c2C1 ZINC000374022737 457444083 /nfs/dbraw/zinc/44/40/83/457444083.db2.gz KQMGVYKUDPYTGQ-UHFFFAOYSA-N 1 2 348.450 3.036 20 30 EGEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCC3(CC#N)CC3)c2C1 ZINC000374022737 457444091 /nfs/dbraw/zinc/44/40/91/457444091.db2.gz KQMGVYKUDPYTGQ-UHFFFAOYSA-N 1 2 348.450 3.036 20 30 EGEDLO N#CCC1(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000374042445 457453622 /nfs/dbraw/zinc/45/36/22/457453622.db2.gz WFJHCSINKIPZOH-ROUUACIJSA-N 1 2 349.438 3.105 20 30 EGEDLO Cn1c2ccccc2[nH+]c1CCN1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000363934265 457464583 /nfs/dbraw/zinc/46/45/83/457464583.db2.gz WTYOMUMIZAGIFD-UYAOXDASSA-N 1 2 338.455 3.043 20 30 EGEDLO Cc1cc(N2CC[NH+]([C@@H](C)c3ccc(F)cc3F)CC2)c(C#N)cn1 ZINC000425221975 457465500 /nfs/dbraw/zinc/46/55/00/457465500.db2.gz HVFWFXZEOQQUPB-AWEZNQCLSA-N 1 2 342.393 3.423 20 30 EGEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(C[C@H](C#N)CCC#N)CC1 ZINC000352571427 457475481 /nfs/dbraw/zinc/47/54/81/457475481.db2.gz UWCLPQJCRVMOQR-INIZCTEOSA-N 1 2 330.863 3.210 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2ccc(OC)cc2OC(F)F)CC1 ZINC000342840491 457552224 /nfs/dbraw/zinc/55/22/24/457552224.db2.gz RHTJPWISSNRNIE-UHFFFAOYSA-N 1 2 340.370 3.049 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H](C#N)c1ccccc1F ZINC000356281261 457557029 /nfs/dbraw/zinc/55/70/29/457557029.db2.gz NYUUUUOMTWPMSA-QGZVFWFLSA-N 1 2 336.370 3.255 20 30 EGEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)NCc3ccccc3F)CC2)cc1 ZINC000374312540 457580011 /nfs/dbraw/zinc/58/00/11/457580011.db2.gz RUTWIZQXOQXUSO-UHFFFAOYSA-N 1 2 349.409 3.103 20 30 EGEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)NCc3ccccc3F)CC2)cc1 ZINC000374312540 457580015 /nfs/dbraw/zinc/58/00/15/457580015.db2.gz RUTWIZQXOQXUSO-UHFFFAOYSA-N 1 2 349.409 3.103 20 30 EGEDLO C=CCSc1ccccc1NC(=O)CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000364720441 457679840 /nfs/dbraw/zinc/67/98/40/457679840.db2.gz CZUXJRSYYUOARF-OAHLLOKOSA-N 1 2 342.468 3.463 20 30 EGEDLO C=C(C)C[N@@H+]1CCOC[C@@H]1c1c(C)nn(Cc2ccccc2)c1C ZINC000374830050 457715126 /nfs/dbraw/zinc/71/51/26/457715126.db2.gz WSYCKPIOHBMTIX-LJQANCHMSA-N 1 2 325.456 3.498 20 30 EGEDLO C=C(C)C[N@H+]1CCOC[C@@H]1c1c(C)nn(Cc2ccccc2)c1C ZINC000374830050 457715129 /nfs/dbraw/zinc/71/51/29/457715129.db2.gz WSYCKPIOHBMTIX-LJQANCHMSA-N 1 2 325.456 3.498 20 30 EGEDLO C=C(Br)C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000365379076 457751957 /nfs/dbraw/zinc/75/19/57/457751957.db2.gz JXUXFXHFNOUNDL-UHFFFAOYSA-N 1 2 349.232 3.220 20 30 EGEDLO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433293985 457800746 /nfs/dbraw/zinc/80/07/46/457800746.db2.gz JGJNTYUIKJKTBP-AWEZNQCLSA-N 1 2 327.428 3.434 20 30 EGEDLO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433293985 457800754 /nfs/dbraw/zinc/80/07/54/457800754.db2.gz JGJNTYUIKJKTBP-AWEZNQCLSA-N 1 2 327.428 3.434 20 30 EGEDLO C=CCN(CC=C)C(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000366212468 457800902 /nfs/dbraw/zinc/80/09/02/457800902.db2.gz YOFBMNJLYMNLCR-UHFFFAOYSA-N 1 2 335.451 3.427 20 30 EGEDLO C=CCN(CC=C)C(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000366212468 457800910 /nfs/dbraw/zinc/80/09/10/457800910.db2.gz YOFBMNJLYMNLCR-UHFFFAOYSA-N 1 2 335.451 3.427 20 30 EGEDLO C[N@H+](CC(C)(C)C#N)[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000433297249 457801292 /nfs/dbraw/zinc/80/12/92/457801292.db2.gz KXSBQZQVFBMRDD-AWEZNQCLSA-N 1 2 339.361 3.292 20 30 EGEDLO C[N@@H+](CC(C)(C)C#N)[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000433297249 457801296 /nfs/dbraw/zinc/80/12/96/457801296.db2.gz KXSBQZQVFBMRDD-AWEZNQCLSA-N 1 2 339.361 3.292 20 30 EGEDLO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)CC(C)(C)C#N)cc1 ZINC000433313325 457807296 /nfs/dbraw/zinc/80/72/96/457807296.db2.gz VCTWEESSGIVECY-SFHVURJKSA-N 1 2 343.471 3.230 20 30 EGEDLO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000433313325 457807298 /nfs/dbraw/zinc/80/72/98/457807298.db2.gz VCTWEESSGIVECY-SFHVURJKSA-N 1 2 343.471 3.230 20 30 EGEDLO C[N@H+](CC#Cc1ccc(Cl)cc1)CC(=O)Nc1cccc(F)c1 ZINC000426357466 457810339 /nfs/dbraw/zinc/81/03/39/457810339.db2.gz QNFIKIPGCDIDBV-UHFFFAOYSA-N 1 2 330.790 3.401 20 30 EGEDLO C[N@@H+](CC#Cc1ccc(Cl)cc1)CC(=O)Nc1cccc(F)c1 ZINC000426357466 457810346 /nfs/dbraw/zinc/81/03/46/457810346.db2.gz QNFIKIPGCDIDBV-UHFFFAOYSA-N 1 2 330.790 3.401 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@H+](CCc3ccc(F)c(F)c3)CCO2)c1 ZINC000371291116 457851820 /nfs/dbraw/zinc/85/18/20/457851820.db2.gz HSPXQHOVXLBIKN-IBGZPJMESA-N 1 2 328.362 3.452 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCc3ccc(F)c(F)c3)CCO2)c1 ZINC000371291116 457851822 /nfs/dbraw/zinc/85/18/22/457851822.db2.gz HSPXQHOVXLBIKN-IBGZPJMESA-N 1 2 328.362 3.452 20 30 EGEDLO C=CCOCCCC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000361821917 457886375 /nfs/dbraw/zinc/88/63/75/457886375.db2.gz YTLTUKJFJIPJCX-INIZCTEOSA-N 1 2 332.444 3.001 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCc3cc(C)ccc3C2)c(C#N)c1C ZINC000361844302 457902033 /nfs/dbraw/zinc/90/20/33/457902033.db2.gz VBFGLXGLDXWTDS-AWEZNQCLSA-N 1 2 337.423 3.462 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCc3cc(C)ccc3C2)c(C#N)c1C ZINC000361844302 457902038 /nfs/dbraw/zinc/90/20/38/457902038.db2.gz VBFGLXGLDXWTDS-AWEZNQCLSA-N 1 2 337.423 3.462 20 30 EGEDLO Cc1ccc2c(c1)CC[N@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000361851237 457906828 /nfs/dbraw/zinc/90/68/28/457906828.db2.gz VTUDQQPWHTTWJM-QGZVFWFLSA-N 1 2 337.448 3.092 20 30 EGEDLO Cc1ccc2c(c1)CC[N@@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000361851237 457906831 /nfs/dbraw/zinc/90/68/31/457906831.db2.gz VTUDQQPWHTTWJM-QGZVFWFLSA-N 1 2 337.448 3.092 20 30 EGEDLO N#Cc1c[nH]c(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1 ZINC000444535927 457907368 /nfs/dbraw/zinc/90/73/68/457907368.db2.gz XDYWFSIVBRLOGE-UHFFFAOYSA-N 1 2 331.379 3.338 20 30 EGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2ccn(C3CCCC3)n2)CC1 ZINC000367067197 457925934 /nfs/dbraw/zinc/92/59/34/457925934.db2.gz QPEUGVZFIDSHJD-UHFFFAOYSA-N 1 2 335.455 3.451 20 30 EGEDLO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1cc(F)cc(F)c1 ZINC000444708811 457951657 /nfs/dbraw/zinc/95/16/57/457951657.db2.gz PPADDFIOMYVBIX-UHFFFAOYSA-N 1 2 343.377 3.343 20 30 EGEDLO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1cc(F)cc(F)c1 ZINC000444708811 457951662 /nfs/dbraw/zinc/95/16/62/457951662.db2.gz PPADDFIOMYVBIX-UHFFFAOYSA-N 1 2 343.377 3.343 20 30 EGEDLO C=CCCCCCCNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000367749944 457977392 /nfs/dbraw/zinc/97/73/92/457977392.db2.gz MJHANLOJTOLUFJ-UHFFFAOYSA-N 1 2 327.432 3.203 20 30 EGEDLO C#CCCCS(=O)(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000367780500 457982156 /nfs/dbraw/zinc/98/21/56/457982156.db2.gz NDITXEWKRGQGAX-UHFFFAOYSA-N 1 2 344.436 3.008 20 30 EGEDLO C=CC[C@H]1N(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCCC1(C)C ZINC000445209633 458025818 /nfs/dbraw/zinc/02/58/18/458025818.db2.gz FIMRXFJQHPDZRG-DLBZAZTESA-N 1 2 342.487 3.437 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)N(C)Cc1ccc(F)cc1 ZINC000362182632 458040619 /nfs/dbraw/zinc/04/06/19/458040619.db2.gz NEJBGJFHRDJBOU-UHFFFAOYSA-N 1 2 333.451 3.436 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)N(C)Cc1ccc(F)cc1 ZINC000362182632 458040625 /nfs/dbraw/zinc/04/06/25/458040625.db2.gz NEJBGJFHRDJBOU-UHFFFAOYSA-N 1 2 333.451 3.436 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000368565677 458046542 /nfs/dbraw/zinc/04/65/42/458046542.db2.gz BRFAVNSLRJIAKS-UHFFFAOYSA-N 1 2 343.290 3.159 20 30 EGEDLO C[C@H]1C[N@H+](CCSc2nc(-c3ccccc3)ccc2C#N)CCO1 ZINC000412992382 458290235 /nfs/dbraw/zinc/29/02/35/458290235.db2.gz KWWWFCSKUJGODE-HNNXBMFYSA-N 1 2 339.464 3.433 20 30 EGEDLO C[C@H]1C[N@@H+](CCSc2nc(-c3ccccc3)ccc2C#N)CCO1 ZINC000412992382 458290239 /nfs/dbraw/zinc/29/02/39/458290239.db2.gz KWWWFCSKUJGODE-HNNXBMFYSA-N 1 2 339.464 3.433 20 30 EGEDLO N#Cc1cnc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(F)c1 ZINC000413032371 458291603 /nfs/dbraw/zinc/29/16/03/458291603.db2.gz ZJRXJOHPRXSCQN-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000413583597 458304319 /nfs/dbraw/zinc/30/43/19/458304319.db2.gz BCNYILBAINUZHZ-NVXWUHKLSA-N 1 2 326.444 3.451 20 30 EGEDLO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ncc(C(=O)OC)s1 ZINC000414082582 458314270 /nfs/dbraw/zinc/31/42/70/458314270.db2.gz FQXVEQJAROPVSB-LBPRGKRZSA-N 1 2 332.425 3.345 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000372809365 458333650 /nfs/dbraw/zinc/33/36/50/458333650.db2.gz YJSCAYRSFGEMMZ-INIZCTEOSA-N 1 2 340.427 3.117 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000372809365 458333651 /nfs/dbraw/zinc/33/36/51/458333651.db2.gz YJSCAYRSFGEMMZ-INIZCTEOSA-N 1 2 340.427 3.117 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000417370288 458362712 /nfs/dbraw/zinc/36/27/12/458362712.db2.gz SGFUMAPDLZEHFQ-OALUTQOASA-N 1 2 329.407 3.433 20 30 EGEDLO N#C[C@H]1N(Cc2cc(-n3cc[nH+]c3)cs2)CCC[C@@]12CCCCO2 ZINC000448270779 458399171 /nfs/dbraw/zinc/39/91/71/458399171.db2.gz GTIDOYCCFOBBIZ-MSOLQXFVSA-N 1 2 342.468 3.361 20 30 EGEDLO Cc1cc(CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc(C)[nH+]1 ZINC000421580134 458417105 /nfs/dbraw/zinc/41/71/05/458417105.db2.gz VSOVSEKWOJHWHF-UHFFFAOYSA-N 1 2 325.387 3.303 20 30 EGEDLO COc1c(C)c[nH+]c(CN(C)c2cccc(C#N)c2[N+](=O)[O-])c1C ZINC000450290321 458444724 /nfs/dbraw/zinc/44/47/24/458444724.db2.gz QPECLKPJPOWNRH-UHFFFAOYSA-N 1 2 326.356 3.123 20 30 EGEDLO N#Cc1cc(N(C#N)Cc2c[nH+]cn2Cc2ccccc2)ccc1F ZINC000438298485 458558962 /nfs/dbraw/zinc/55/89/62/458558962.db2.gz LYCGUQRRACKREY-UHFFFAOYSA-N 1 2 331.354 3.430 20 30 EGEDLO C=CCn1cc(C[NH2+]Cc2cc(F)ccc2N(C)C[C@@H](C)CC)nn1 ZINC000424171682 458576423 /nfs/dbraw/zinc/57/64/23/458576423.db2.gz MQGWCAWRGLJJLP-HNNXBMFYSA-N 1 2 345.466 3.375 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000424562992 458662307 /nfs/dbraw/zinc/66/23/07/458662307.db2.gz OCHSHNCONOPYNB-UHFFFAOYSA-N 1 2 330.476 3.159 20 30 EGEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1C(F)F ZINC000502787138 458669491 /nfs/dbraw/zinc/66/94/91/458669491.db2.gz ARLKPFNOKVQGAB-CVEARBPZSA-N 1 2 325.399 3.274 20 30 EGEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@H]1C(F)F ZINC000502787138 458669498 /nfs/dbraw/zinc/66/94/98/458669498.db2.gz ARLKPFNOKVQGAB-CVEARBPZSA-N 1 2 325.399 3.274 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000530336640 458750160 /nfs/dbraw/zinc/75/01/60/458750160.db2.gz KVJPBDJWIDYCMT-CQSZACIVSA-N 1 2 343.858 3.380 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000530336640 458750167 /nfs/dbraw/zinc/75/01/67/458750167.db2.gz KVJPBDJWIDYCMT-CQSZACIVSA-N 1 2 343.858 3.380 20 30 EGEDLO CCN1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000530427675 458765886 /nfs/dbraw/zinc/76/58/86/458765886.db2.gz RAHTYMZISBTGIE-HNNXBMFYSA-N 1 2 349.360 3.183 20 30 EGEDLO C=C[C@H]1CCCCN1C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000495179399 458806670 /nfs/dbraw/zinc/80/66/70/458806670.db2.gz BSLHXQYWYCJAIA-XJKSGUPXSA-N 1 2 337.414 3.318 20 30 EGEDLO COc1ncc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1Cl ZINC000548798692 458873761 /nfs/dbraw/zinc/87/37/61/458873761.db2.gz NIZTZLHDOFUYFW-UHFFFAOYSA-N 1 2 342.830 3.196 20 30 EGEDLO C=CC[C@H](CC)NC(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000466384679 458896983 /nfs/dbraw/zinc/89/69/83/458896983.db2.gz YVMHEECPXVCVBJ-INIZCTEOSA-N 1 2 349.450 3.016 20 30 EGEDLO CC[N@H+](CC(=O)Nc1cc(CC#N)ccn1)Cc1ccccc1Cl ZINC000554592513 458899800 /nfs/dbraw/zinc/89/98/00/458899800.db2.gz FVZBHQVPIGSTSA-UHFFFAOYSA-N 1 2 342.830 3.262 20 30 EGEDLO CC[N@@H+](CC(=O)Nc1cc(CC#N)ccn1)Cc1ccccc1Cl ZINC000554592513 458899808 /nfs/dbraw/zinc/89/98/08/458899808.db2.gz FVZBHQVPIGSTSA-UHFFFAOYSA-N 1 2 342.830 3.262 20 30 EGEDLO C=C(C)COCCNc1cc(CC)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000474783483 458901343 /nfs/dbraw/zinc/90/13/43/458901343.db2.gz LJUKQBDHCJAZLY-UHFFFAOYSA-N 1 2 342.399 3.041 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000566428243 458930461 /nfs/dbraw/zinc/93/04/61/458930461.db2.gz CNZFBSMFETUJSE-KGLIPLIRSA-N 1 2 330.457 3.301 20 30 EGEDLO CC(C)Oc1ccc(NC(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cc1C#N ZINC000556577791 458973593 /nfs/dbraw/zinc/97/35/93/458973593.db2.gz PMFWHNWJYUOICN-IUODEOHRSA-N 1 2 339.399 3.369 20 30 EGEDLO N#CC[C@]1(O)CC[N@H+](Cc2oc3ccccc3c2Br)C1 ZINC000594607020 459108636 /nfs/dbraw/zinc/10/86/36/459108636.db2.gz QDTVMYICLROVNP-HNNXBMFYSA-N 1 2 335.201 3.046 20 30 EGEDLO N#CC[C@]1(O)CC[N@@H+](Cc2oc3ccccc3c2Br)C1 ZINC000594607020 459108641 /nfs/dbraw/zinc/10/86/41/459108641.db2.gz QDTVMYICLROVNP-HNNXBMFYSA-N 1 2 335.201 3.046 20 30 EGEDLO Cc1cc(N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000496230718 459116189 /nfs/dbraw/zinc/11/61/89/459116189.db2.gz VYNCIKLJTNNJJS-ZIAGYGMSSA-N 1 2 330.432 3.001 20 30 EGEDLO C=CC[N@@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)Cc1cccc(C#N)c1 ZINC000521090998 459120086 /nfs/dbraw/zinc/12/00/86/459120086.db2.gz BNHHPCVFMHDOMP-ABSDTBQOSA-N 1 2 339.483 3.487 20 30 EGEDLO C=CC[N@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)Cc1cccc(C#N)c1 ZINC000521090998 459120094 /nfs/dbraw/zinc/12/00/94/459120094.db2.gz BNHHPCVFMHDOMP-ABSDTBQOSA-N 1 2 339.483 3.487 20 30 EGEDLO C=CC[NH+](CC=C)CCN1c2cccc3cccc(c23)S1(=O)=O ZINC000532918219 459160481 /nfs/dbraw/zinc/16/04/81/459160481.db2.gz LDSMZFCNPGUTHZ-UHFFFAOYSA-N 1 2 328.437 3.023 20 30 EGEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2cc3ccccc3n2CC#N)CC1(C)C ZINC000590768484 459210124 /nfs/dbraw/zinc/21/01/24/459210124.db2.gz STLYUCCSIDWKAR-QGZVFWFLSA-N 1 2 347.422 3.122 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC000578873013 459240724 /nfs/dbraw/zinc/24/07/24/459240724.db2.gz ITYPAYHBLMGWTA-WFRNDULYSA-N 1 2 331.504 3.333 20 30 EGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000580285347 459258730 /nfs/dbraw/zinc/25/87/30/459258730.db2.gz ANJSTLYMVNCBRK-RHSMWYFYSA-N 1 2 340.427 3.295 20 30 EGEDLO CC[N@H+](CCCNC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000595432863 459299530 /nfs/dbraw/zinc/29/95/30/459299530.db2.gz MIIWCNMPYBEGGC-KRWDZBQOSA-N 1 2 328.460 3.238 20 30 EGEDLO CC[N@@H+](CCCNC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000595432863 459299537 /nfs/dbraw/zinc/29/95/37/459299537.db2.gz MIIWCNMPYBEGGC-KRWDZBQOSA-N 1 2 328.460 3.238 20 30 EGEDLO C=CCOC[C@H]([NH2+][C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1)C(=O)OC ZINC000482459034 459310441 /nfs/dbraw/zinc/31/04/41/459310441.db2.gz YQQQOJMBGZESBY-KANFNMMFSA-N 1 2 331.456 3.293 20 30 EGEDLO C[N@H+](CCCOc1cccc(C#N)c1)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000595523789 459334647 /nfs/dbraw/zinc/33/46/47/459334647.db2.gz MTOQJDGHPVSDPB-IBGZPJMESA-N 1 2 347.422 3.167 20 30 EGEDLO C[N@@H+](CCCOc1cccc(C#N)c1)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000595523789 459334648 /nfs/dbraw/zinc/33/46/48/459334648.db2.gz MTOQJDGHPVSDPB-IBGZPJMESA-N 1 2 347.422 3.167 20 30 EGEDLO CCc1ccc(C2=CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)cc1 ZINC000537854037 459367898 /nfs/dbraw/zinc/36/78/98/459367898.db2.gz NKMZAJYRRDOOGE-NRFANRHFSA-N 1 2 339.483 3.393 20 30 EGEDLO CCc1ccc(C2=CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)cc1 ZINC000537854037 459367904 /nfs/dbraw/zinc/36/79/04/459367904.db2.gz NKMZAJYRRDOOGE-NRFANRHFSA-N 1 2 339.483 3.393 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000595619987 459371700 /nfs/dbraw/zinc/37/17/00/459371700.db2.gz IVGSSXJWJLVHCA-LBPRGKRZSA-N 1 2 333.798 3.185 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000595619987 459371705 /nfs/dbraw/zinc/37/17/05/459371705.db2.gz IVGSSXJWJLVHCA-LBPRGKRZSA-N 1 2 333.798 3.185 20 30 EGEDLO Cc1nc2ccccc2nc1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595633649 459376580 /nfs/dbraw/zinc/37/65/80/459376580.db2.gz RSXIJNKHHDZYEN-UHFFFAOYSA-N 1 2 349.463 3.194 20 30 EGEDLO C=CCOc1cccc(CNc2cc(OC)c(Br)c[nH+]2)c1 ZINC000539554469 459377317 /nfs/dbraw/zinc/37/73/17/459377317.db2.gz VMMXZDDNFVEJEZ-UHFFFAOYSA-N 1 2 349.228 3.452 20 30 EGEDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000540711182 459383930 /nfs/dbraw/zinc/38/39/30/459383930.db2.gz BKKBVRHJMXCOCS-UHFFFAOYSA-N 1 2 330.859 3.024 20 30 EGEDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000540711182 459383937 /nfs/dbraw/zinc/38/39/37/459383937.db2.gz BKKBVRHJMXCOCS-UHFFFAOYSA-N 1 2 330.859 3.024 20 30 EGEDLO N#Cc1cc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)ccc1Cl ZINC000540849368 459393165 /nfs/dbraw/zinc/39/31/65/459393165.db2.gz VKFKVPBFRYPCCY-UHFFFAOYSA-N 1 2 340.814 3.137 20 30 EGEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc(Oc2ccccc2)c1 ZINC000591772135 459433148 /nfs/dbraw/zinc/43/31/48/459433148.db2.gz ZECMSQVRIUZYRP-QGZVFWFLSA-N 1 2 325.412 3.097 20 30 EGEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(Oc2ccccc2)c1 ZINC000591772135 459433150 /nfs/dbraw/zinc/43/31/50/459433150.db2.gz ZECMSQVRIUZYRP-QGZVFWFLSA-N 1 2 325.412 3.097 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000591853040 459455594 /nfs/dbraw/zinc/45/55/94/459455594.db2.gz LIOLWSGFGZFJPM-DYVFJYSZSA-N 1 2 337.427 3.145 20 30 EGEDLO N#CCCC1CC[NH+](Cc2nc(COc3ccc(F)cc3)no2)CC1 ZINC000583021215 459468360 /nfs/dbraw/zinc/46/83/60/459468360.db2.gz AVOCROUJCZRUPS-UHFFFAOYSA-N 1 2 344.390 3.303 20 30 EGEDLO CCc1ccc([C@@H](C#N)N(C)C(=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000569588308 459476466 /nfs/dbraw/zinc/47/64/66/459476466.db2.gz JZMXJKYVZXLVDC-LJQANCHMSA-N 1 2 346.434 3.471 20 30 EGEDLO Cn1c2ccccc2[nH+]c1N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000541868852 459502237 /nfs/dbraw/zinc/50/22/37/459502237.db2.gz AHWGKYVHLDREDN-KRWDZBQOSA-N 1 2 345.406 3.052 20 30 EGEDLO CC(C)(C)OC(=O)NCC12CCC(CC1)C[N@@H+]2C[C@@H](C#N)CCC#N ZINC000497264314 459507800 /nfs/dbraw/zinc/50/78/00/459507800.db2.gz VYOAGAYNSFMJLM-KOHRHEQBSA-N 1 2 346.475 3.199 20 30 EGEDLO CC(C)(C)OC(=O)NCC12CCC(CC1)C[N@H+]2C[C@@H](C#N)CCC#N ZINC000497264314 459507806 /nfs/dbraw/zinc/50/78/06/459507806.db2.gz VYOAGAYNSFMJLM-KOHRHEQBSA-N 1 2 346.475 3.199 20 30 EGEDLO Cc1ccc(C#N)nc1N1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000596108210 459524469 /nfs/dbraw/zinc/52/44/69/459524469.db2.gz RAEWAHVCNWSHPM-AWEZNQCLSA-N 1 2 342.393 3.423 20 30 EGEDLO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592146223 459536128 /nfs/dbraw/zinc/53/61/28/459536128.db2.gz GDWHDRBJWPVANC-HXUWFJFHSA-N 1 2 343.471 3.222 20 30 EGEDLO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592146223 459536131 /nfs/dbraw/zinc/53/61/31/459536131.db2.gz GDWHDRBJWPVANC-HXUWFJFHSA-N 1 2 343.471 3.222 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000526056940 459540011 /nfs/dbraw/zinc/54/00/11/459540011.db2.gz SOWXSVMLRPCZSG-OAHLLOKOSA-N 1 2 341.430 3.256 20 30 EGEDLO Cc1cc(C[NH+]2CCN([C@H](C)c3nccs3)CC2)ccc1C#N ZINC000488307350 459542174 /nfs/dbraw/zinc/54/21/74/459542174.db2.gz LBXLDVYJGPPUIW-OAHLLOKOSA-N 1 2 326.469 3.202 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000562491914 459571463 /nfs/dbraw/zinc/57/14/63/459571463.db2.gz TXVFQWUUBFAEIR-CYBMUJFWSA-N 1 2 339.443 3.038 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000562491914 459571469 /nfs/dbraw/zinc/57/14/69/459571469.db2.gz TXVFQWUUBFAEIR-CYBMUJFWSA-N 1 2 339.443 3.038 20 30 EGEDLO C#CC[N@@H+](Cn1nc(-c2cccnc2)n(C)c1=S)C1CCCCC1 ZINC000490589833 459580431 /nfs/dbraw/zinc/58/04/31/459580431.db2.gz HHLXYFVEIHGTQU-UHFFFAOYSA-N 1 2 341.484 3.238 20 30 EGEDLO C#CC[N@H+](Cn1nc(-c2cccnc2)n(C)c1=S)C1CCCCC1 ZINC000490589833 459580433 /nfs/dbraw/zinc/58/04/33/459580433.db2.gz HHLXYFVEIHGTQU-UHFFFAOYSA-N 1 2 341.484 3.238 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000572732806 459583262 /nfs/dbraw/zinc/58/32/62/459583262.db2.gz PUUSQQUQPWWZOI-PWSUYJOCSA-N 1 2 328.243 3.452 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)/C=C\c1ccc(C#N)cc1)c1ccccc1 ZINC000490982671 459592532 /nfs/dbraw/zinc/59/25/32/459592532.db2.gz OZKCPMXMZBWAKH-ZCPJJFRWSA-N 1 2 342.402 3.211 20 30 EGEDLO CCc1nnc(NCc2cccc(-c3[nH]cc[nH+]3)c2)c(C#N)c1CC ZINC000542782833 459592827 /nfs/dbraw/zinc/59/28/27/459592827.db2.gz LDNYNVZWEICHLQ-UHFFFAOYSA-N 1 2 332.411 3.475 20 30 EGEDLO CC#CCCNC(=O)c1ccccc1OCc1cn2cccc(C)c2[nH+]1 ZINC000498600094 459598042 /nfs/dbraw/zinc/59/80/42/459598042.db2.gz AKDKPPLPENDPNP-UHFFFAOYSA-N 1 2 347.418 3.365 20 30 EGEDLO C#C[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(Cl)cc1 ZINC000491349549 459619176 /nfs/dbraw/zinc/61/91/76/459619176.db2.gz IVGAPUPVWAUBQW-MRXNPFEDSA-N 1 2 338.798 3.161 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000491369137 459620714 /nfs/dbraw/zinc/62/07/14/459620714.db2.gz RVPSJUDAQIXKOP-UHFFFAOYSA-N 1 2 343.814 3.474 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000491369137 459620722 /nfs/dbraw/zinc/62/07/22/459620722.db2.gz RVPSJUDAQIXKOP-UHFFFAOYSA-N 1 2 343.814 3.474 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)/C=C\c1ccc(C#N)cc1)C2 ZINC000491419889 459625411 /nfs/dbraw/zinc/62/54/11/459625411.db2.gz RCIWTYGMAKKAEE-SDMNGIDPSA-N 1 2 348.450 3.197 20 30 EGEDLO N#Cc1ccc(Br)c(C[NH2+][C@@H](CO)c2cccc(F)c2)c1 ZINC000491603138 459639355 /nfs/dbraw/zinc/63/93/55/459639355.db2.gz AFUSSBZKXVGEMZ-INIZCTEOSA-N 1 2 349.203 3.283 20 30 EGEDLO C#C[C@@H](NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000491625085 459641277 /nfs/dbraw/zinc/64/12/77/459641277.db2.gz KAMPDGFCZBMJJL-CVEARBPZSA-N 1 2 340.402 3.026 20 30 EGEDLO C#CCNC(=O)C1CC[NH+](Cc2csc(Cl)c2Cl)CC1 ZINC000491678176 459652616 /nfs/dbraw/zinc/65/26/16/459652616.db2.gz SKSFBLZHROWBOZ-UHFFFAOYSA-N 1 2 331.268 3.016 20 30 EGEDLO C#C[C@H](CC)NC(=O)N1CCC(n2c(CC)[nH+]c3ccccc32)CC1 ZINC000491805516 459676998 /nfs/dbraw/zinc/67/69/98/459676998.db2.gz OTDZAPBKRVHUFJ-OAHLLOKOSA-N 1 2 338.455 3.357 20 30 EGEDLO C#C[C@H](NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21)c1ccc(Cl)cc1F ZINC000491821018 459680594 /nfs/dbraw/zinc/68/05/94/459680594.db2.gz ZFPWHKQRLYDNMZ-ONERCXAPSA-N 1 2 346.793 3.355 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000492393745 459703368 /nfs/dbraw/zinc/70/33/68/459703368.db2.gz YGHHWLDRYDLSSB-AWEZNQCLSA-N 1 2 335.835 3.311 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000492393745 459703374 /nfs/dbraw/zinc/70/33/74/459703374.db2.gz YGHHWLDRYDLSSB-AWEZNQCLSA-N 1 2 335.835 3.311 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+]2Cc3ccccc3OC[C@H]2C)c1C#N ZINC000543872689 459708831 /nfs/dbraw/zinc/70/88/31/459708831.db2.gz UZXBQSKRLTUZLF-CQSZACIVSA-N 1 2 336.391 3.128 20 30 EGEDLO COC(=O)c1cccc(C[N@H+]2Cc3ccccc3OC[C@H]2C)c1C#N ZINC000543872689 459708836 /nfs/dbraw/zinc/70/88/36/459708836.db2.gz UZXBQSKRLTUZLF-CQSZACIVSA-N 1 2 336.391 3.128 20 30 EGEDLO C[C@@H](CO)C1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000593084528 459768331 /nfs/dbraw/zinc/76/83/31/459768331.db2.gz RFJPUFJUSLZFSK-LBPRGKRZSA-N 1 2 337.261 3.161 20 30 EGEDLO CC#CCN(C)C(=O)c1ccccc1OCc1cn2cccc(C)c2[nH+]1 ZINC000564061973 459770537 /nfs/dbraw/zinc/77/05/37/459770537.db2.gz MOFVKOGEHZIVLX-UHFFFAOYSA-N 1 2 347.418 3.317 20 30 EGEDLO COCC[N@H+](Cc1ccc(F)c(Cl)c1)Cc1ccc(C#N)cn1 ZINC000574171183 459787597 /nfs/dbraw/zinc/78/75/97/459787597.db2.gz VQSCQONJLOKYAA-UHFFFAOYSA-N 1 2 333.794 3.394 20 30 EGEDLO COCC[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1ccc(C#N)cn1 ZINC000574171183 459787601 /nfs/dbraw/zinc/78/76/01/459787601.db2.gz VQSCQONJLOKYAA-UHFFFAOYSA-N 1 2 333.794 3.394 20 30 EGEDLO N#Cc1cnc2c(Cl)cccc2c1NCC1([NH+]2CCOCC2)CC1 ZINC000566148556 459814925 /nfs/dbraw/zinc/81/49/25/459814925.db2.gz IKGCZUYDARDNOP-UHFFFAOYSA-N 1 2 342.830 3.037 20 30 EGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000597178231 459863479 /nfs/dbraw/zinc/86/34/79/459863479.db2.gz BRITZCLALNWTKP-KBPBESRZSA-N 1 2 340.452 3.336 20 30 EGEDLO CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000597184728 459867558 /nfs/dbraw/zinc/86/75/58/459867558.db2.gz NRYOSZDZMPZNEM-QAPCUYQASA-N 1 2 336.439 3.124 20 30 EGEDLO CC[C@H](C#N)C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000593677943 459947333 /nfs/dbraw/zinc/94/73/33/459947333.db2.gz JHJZZIWJUHQLNF-OAHLLOKOSA-N 1 2 330.819 3.115 20 30 EGEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000598595599 459957849 /nfs/dbraw/zinc/95/78/49/459957849.db2.gz KRUXRKCSRRHFFH-CYBMUJFWSA-N 1 2 331.847 3.480 20 30 EGEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000598595599 459957852 /nfs/dbraw/zinc/95/78/52/459957852.db2.gz KRUXRKCSRRHFFH-CYBMUJFWSA-N 1 2 331.847 3.480 20 30 EGEDLO C[C@@H](CCC#N)C[N@@H+]1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000602482154 459959803 /nfs/dbraw/zinc/95/98/03/459959803.db2.gz MWGXFFTUMTYGAP-WFASDCNBSA-N 1 2 339.361 3.118 20 30 EGEDLO C[C@@H](CCC#N)C[N@H+]1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000602482154 459959812 /nfs/dbraw/zinc/95/98/12/459959812.db2.gz MWGXFFTUMTYGAP-WFASDCNBSA-N 1 2 339.361 3.118 20 30 EGEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000598612112 459963119 /nfs/dbraw/zinc/96/31/19/459963119.db2.gz ZQDCXLDOKDDXCD-INIZCTEOSA-N 1 2 331.847 3.411 20 30 EGEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000598612112 459963125 /nfs/dbraw/zinc/96/31/25/459963125.db2.gz ZQDCXLDOKDDXCD-INIZCTEOSA-N 1 2 331.847 3.411 20 30 EGEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000598609699 459963406 /nfs/dbraw/zinc/96/34/06/459963406.db2.gz UQINVUBDOTWDIS-XJKSGUPXSA-N 1 2 340.826 3.153 20 30 EGEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000598609699 459963412 /nfs/dbraw/zinc/96/34/12/459963412.db2.gz UQINVUBDOTWDIS-XJKSGUPXSA-N 1 2 340.826 3.153 20 30 EGEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000609486635 459969489 /nfs/dbraw/zinc/96/94/89/459969489.db2.gz OEVNXIRZESYCCC-MRXNPFEDSA-N 1 2 325.378 3.371 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000575878529 460025235 /nfs/dbraw/zinc/02/52/35/460025235.db2.gz RKSBMXYEFDCKQL-OAHLLOKOSA-N 1 2 340.858 3.485 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000575878529 460025237 /nfs/dbraw/zinc/02/52/37/460025237.db2.gz RKSBMXYEFDCKQL-OAHLLOKOSA-N 1 2 340.858 3.485 20 30 EGEDLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@H](CC#N)C3)cn2c1 ZINC000597913836 460108208 /nfs/dbraw/zinc/10/82/08/460108208.db2.gz BTDRUNKSCHZIHO-OAHLLOKOSA-N 1 2 342.468 3.028 20 30 EGEDLO N#Cc1nc(C2CC2)oc1N1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000599022689 460129813 /nfs/dbraw/zinc/12/98/13/460129813.db2.gz OUYSCONWFQHGIT-UHFFFAOYSA-N 1 2 345.406 3.298 20 30 EGEDLO C=CC[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000597997986 460141242 /nfs/dbraw/zinc/14/12/42/460141242.db2.gz KNVRXDKQFFNFSD-AWEZNQCLSA-N 1 2 340.383 3.209 20 30 EGEDLO CCN(C(C)=O)c1nc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)cs1 ZINC000618742665 460152544 /nfs/dbraw/zinc/15/25/44/460152544.db2.gz ORHDSFXEBWTZKH-QGZVFWFLSA-N 1 2 340.452 3.165 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000602843586 460155815 /nfs/dbraw/zinc/15/58/15/460155815.db2.gz XVSKIZGZFPHXTG-GFCCVEGCSA-N 1 2 329.429 3.325 20 30 EGEDLO C[C@H](CC#N)[NH2+]CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000602864612 460164618 /nfs/dbraw/zinc/16/46/18/460164618.db2.gz SDQHSWUKGDITFQ-AUUYWEPGSA-N 1 2 341.842 3.437 20 30 EGEDLO C[C@H](CC#N)[NH2+]Cc1cc2c(cc1Br)OCCCO2 ZINC000602869489 460166272 /nfs/dbraw/zinc/16/62/72/460166272.db2.gz OHUUGOVJJGMCEE-SNVBAGLBSA-N 1 2 325.206 3.002 20 30 EGEDLO Cc1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000603149530 460256014 /nfs/dbraw/zinc/25/60/14/460256014.db2.gz OALBDKMYCAXKBO-UHFFFAOYSA-N 1 2 340.452 3.278 20 30 EGEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H](C)C1(F)F ZINC000599514598 460266474 /nfs/dbraw/zinc/26/64/74/460266474.db2.gz YHGCRVBCYCFVOU-PHIMTYICSA-N 1 2 341.789 3.373 20 30 EGEDLO C[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H](C)C1(F)F ZINC000599514598 460266479 /nfs/dbraw/zinc/26/64/79/460266479.db2.gz YHGCRVBCYCFVOU-PHIMTYICSA-N 1 2 341.789 3.373 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCCC(F)(F)CC2)c(C#N)c1C ZINC000599552977 460273717 /nfs/dbraw/zinc/27/37/17/460273717.db2.gz OXEPSYVICXCSKG-LLVKDONJSA-N 1 2 325.359 3.216 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCCC(F)(F)CC2)c(C#N)c1C ZINC000599552977 460273719 /nfs/dbraw/zinc/27/37/19/460273719.db2.gz OXEPSYVICXCSKG-LLVKDONJSA-N 1 2 325.359 3.216 20 30 EGEDLO COCCOCc1cc(C#N)ccc1NCc1cc(C)[nH+]c(C)c1 ZINC000603399811 460297875 /nfs/dbraw/zinc/29/78/75/460297875.db2.gz QDKYDGVZVSFBIN-UHFFFAOYSA-N 1 2 325.412 3.345 20 30 EGEDLO C[C@]1(C#N)CCC[N@@H+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000615798519 460393519 /nfs/dbraw/zinc/39/35/19/460393519.db2.gz AXSPVZWWWDBTHG-IEBWSBKVSA-N 1 2 347.409 3.081 20 30 EGEDLO C[C@]1(C#N)CCC[N@H+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000615798519 460393524 /nfs/dbraw/zinc/39/35/24/460393524.db2.gz AXSPVZWWWDBTHG-IEBWSBKVSA-N 1 2 347.409 3.081 20 30 EGEDLO C=CCCn1cc(C[N@H+](C)CCCOc2ccc(Cl)cc2)nn1 ZINC000653502698 461677999 /nfs/dbraw/zinc/67/79/99/461677999.db2.gz NJJHRPDLFFDPHR-UHFFFAOYSA-N 1 2 334.851 3.409 20 30 EGEDLO C=CCCn1cc(C[N@@H+](C)CCCOc2ccc(Cl)cc2)nn1 ZINC000653502698 461678009 /nfs/dbraw/zinc/67/80/09/461678009.db2.gz NJJHRPDLFFDPHR-UHFFFAOYSA-N 1 2 334.851 3.409 20 30 EGEDLO C=CC[C@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000660305984 461698969 /nfs/dbraw/zinc/69/89/69/461698969.db2.gz PFLDKBPAURQPAW-INIZCTEOSA-N 1 2 328.460 3.180 20 30 EGEDLO C=CC[C@H]1CCCN(C(=O)NCc2ccc(N(CC)CC)[nH+]c2)C1 ZINC000660387100 461746521 /nfs/dbraw/zinc/74/65/21/461746521.db2.gz GWVCIQRUHHAOBF-INIZCTEOSA-N 1 2 330.476 3.426 20 30 EGEDLO C=CC[C@H](Cc1ccccc1)n1cc(C[NH+]2CCSCC2)nn1 ZINC000656457333 461749987 /nfs/dbraw/zinc/74/99/87/461749987.db2.gz LVQQMVFQSVYPOH-GOSISDBHSA-N 1 2 328.485 3.187 20 30 EGEDLO C=CCn1cc(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)nn1 ZINC000643902061 461834284 /nfs/dbraw/zinc/83/42/84/461834284.db2.gz LKAMTAFOCZMXBM-HNNXBMFYSA-N 1 2 337.349 3.045 20 30 EGEDLO Nc1ccc(CNC(=O)Nc2cccc(C#Cc3cccs3)c2)c[nH+]1 ZINC000669963990 461853405 /nfs/dbraw/zinc/85/34/05/461853405.db2.gz KKHNDWQXTNAKBY-UHFFFAOYSA-N 1 2 348.431 3.447 20 30 EGEDLO C=C(C)CN(Cc1ccc(CO)o1)c1[nH+]cnc2[nH]c(C)c(C)c21 ZINC000645242322 462250543 /nfs/dbraw/zinc/25/05/43/462250543.db2.gz SDKNKKJIXIDHBV-UHFFFAOYSA-N 1 2 326.400 3.243 20 30 EGEDLO C=CC[N@H+](Cc1nc(N)nc(Nc2ccc(F)cc2)n1)C(C)(C)C ZINC000661760733 462402099 /nfs/dbraw/zinc/40/20/99/462402099.db2.gz YGHGAEKCIQRNBP-UHFFFAOYSA-N 1 2 330.411 3.123 20 30 EGEDLO C=CC[N@@H+](Cc1nc(N)nc(Nc2ccc(F)cc2)n1)C(C)(C)C ZINC000661760733 462402103 /nfs/dbraw/zinc/40/21/03/462402103.db2.gz YGHGAEKCIQRNBP-UHFFFAOYSA-N 1 2 330.411 3.123 20 30 EGEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ccc(C#N)c(C)n2)cc1 ZINC000487896293 468058983 /nfs/dbraw/zinc/05/89/83/468058983.db2.gz KNMFHPFMWOAUEY-IBGZPJMESA-N 1 2 336.439 3.056 20 30 EGEDLO CC(C)COC[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccco1 ZINC000184205395 528110077 /nfs/dbraw/zinc/11/00/77/528110077.db2.gz KWIKXVSYSQYXGI-KRWDZBQOSA-N 1 2 341.411 3.093 20 30 EGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CCC[C@H]3C#N)n2)C1 ZINC000329674955 547504946 /nfs/dbraw/zinc/50/49/46/547504946.db2.gz UFUSBKPUWGUJHI-VNHYZAJKSA-N 1 2 347.488 3.393 20 30 EGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CCC[C@H]3C#N)n2)C1 ZINC000329674955 547504948 /nfs/dbraw/zinc/50/49/48/547504948.db2.gz UFUSBKPUWGUJHI-VNHYZAJKSA-N 1 2 347.488 3.393 20 30 EGEDLO N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000330058297 547512347 /nfs/dbraw/zinc/51/23/47/547512347.db2.gz YSIJENGPFAHQSO-YESZJQIVSA-N 1 2 329.469 3.425 20 30 EGEDLO N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000333670615 547540516 /nfs/dbraw/zinc/54/05/16/547540516.db2.gz YCJQBEHAUWTXDV-GLQYFDAESA-N 1 2 337.345 3.093 20 30 EGEDLO COCC#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000677479572 549277761 /nfs/dbraw/zinc/27/77/61/549277761.db2.gz PUZJEIMFJPSVIG-HNNXBMFYSA-N 1 2 341.238 3.046 20 30 EGEDLO COCC#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000677479572 549277763 /nfs/dbraw/zinc/27/77/63/549277763.db2.gz PUZJEIMFJPSVIG-HNNXBMFYSA-N 1 2 341.238 3.046 20 30 EGEDLO COCC#CC[N@H+](Cc1nnc(-c2ccccc2Cl)o1)C(C)C ZINC000678085796 549393845 /nfs/dbraw/zinc/39/38/45/549393845.db2.gz TTZFQGGOENUFCP-UHFFFAOYSA-N 1 2 333.819 3.250 20 30 EGEDLO COCC#CC[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)C(C)C ZINC000678085796 549393847 /nfs/dbraw/zinc/39/38/47/549393847.db2.gz TTZFQGGOENUFCP-UHFFFAOYSA-N 1 2 333.819 3.250 20 30 EGEDLO C=CCOc1ccc(CNc2ccc(-n3cncn3)c[nH+]2)cc1Cl ZINC000682855999 550154616 /nfs/dbraw/zinc/15/46/16/550154616.db2.gz RPXYUQWYMFKLMF-UHFFFAOYSA-N 1 2 341.802 3.493 20 30 EGEDLO c1ccc(-c2noc(N=NC3CCN(c4cccc[nH+]4)CC3)n2)cc1 ZINC000726738179 574568189 /nfs/dbraw/zinc/56/81/89/574568189.db2.gz LZNRBKPDEBIHBM-UHFFFAOYSA-N 1 2 334.383 3.200 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)c1=S ZINC000727430546 574666753 /nfs/dbraw/zinc/66/67/53/574666753.db2.gz JQCCEXDYOYRUNW-INIZCTEOSA-N 1 2 329.473 3.222 20 30 EGEDLO C=CCn1nnn(C[N@H+]2CCC[C@H](c3ccccc3)CC2)c1=S ZINC000727430546 574666755 /nfs/dbraw/zinc/66/67/55/574666755.db2.gz JQCCEXDYOYRUNW-INIZCTEOSA-N 1 2 329.473 3.222 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc(-c2ccccc2)c(C)s1 ZINC000730275283 574965129 /nfs/dbraw/zinc/96/51/29/574965129.db2.gz YFACPADYOLNQCF-HNNXBMFYSA-N 1 2 325.437 3.155 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc(-c2ccccc2)c(C)s1 ZINC000730275283 574965132 /nfs/dbraw/zinc/96/51/32/574965132.db2.gz YFACPADYOLNQCF-HNNXBMFYSA-N 1 2 325.437 3.155 20 30 EGEDLO CS(=O)(=O)c1ccccc1N[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000731933571 575222061 /nfs/dbraw/zinc/22/20/61/575222061.db2.gz ORBXNEWWIGPISV-UHFFFAOYSA-N 1 2 347.440 3.119 20 30 EGEDLO C#CC[NH+]1CCN(C(=O)c2cc(-c3ccccc3)ccc2Cl)CC1 ZINC000732308007 575258166 /nfs/dbraw/zinc/25/81/66/575258166.db2.gz QGGIZGKOZQNWBI-UHFFFAOYSA-N 1 2 338.838 3.398 20 30 EGEDLO COc1cccc(O)c1/C=N\C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000734303480 575463771 /nfs/dbraw/zinc/46/37/71/575463771.db2.gz QYKWRQPRQGCTOV-UNUHRMFVSA-N 1 2 334.366 3.401 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)CN1C(=O)C[C@](C)(C(C)C)C1=O ZINC000735070262 575595481 /nfs/dbraw/zinc/59/54/81/575595481.db2.gz HVDFIGBTHSEIFA-HXUWFJFHSA-N 1 2 344.455 3.062 20 30 EGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)CN1C(=O)C[C@](C)(C(C)C)C1=O ZINC000735070262 575595483 /nfs/dbraw/zinc/59/54/83/575595483.db2.gz HVDFIGBTHSEIFA-HXUWFJFHSA-N 1 2 344.455 3.062 20 30 EGEDLO Cc1cccn2c(/C=C/C(=O)c3ccc4c(c3)CCC(=O)N4)c[nH+]c12 ZINC000741467420 576688619 /nfs/dbraw/zinc/68/86/19/576688619.db2.gz LGMSXZRPJWBCAO-SOFGYWHQSA-N 1 2 331.375 3.424 20 30 EGEDLO C#CCOc1cc(F)ccc1NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000741639348 576707254 /nfs/dbraw/zinc/70/72/54/576707254.db2.gz VDJJKKJDMBVXOG-UHFFFAOYSA-N 1 2 337.354 3.135 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000741713282 576712530 /nfs/dbraw/zinc/71/25/30/576712530.db2.gz NYJCBMCJCSXQFX-NRFANRHFSA-N 1 2 348.446 3.440 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000741713282 576712532 /nfs/dbraw/zinc/71/25/32/576712532.db2.gz NYJCBMCJCSXQFX-NRFANRHFSA-N 1 2 348.446 3.440 20 30 EGEDLO C#CC[NH+]1CCN(C(=O)c2ccccc2Sc2ccccc2)CC1 ZINC000742075377 576746900 /nfs/dbraw/zinc/74/69/00/576746900.db2.gz XHKBXLBSHIWEHB-UHFFFAOYSA-N 1 2 336.460 3.229 20 30 EGEDLO C#CC[N@H+](CC#CC)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000743854772 576817068 /nfs/dbraw/zinc/81/70/68/576817068.db2.gz LYMNGNJYEZVDPR-HXUWFJFHSA-N 1 2 328.264 3.060 20 30 EGEDLO C#CC[N@@H+](CC#CC)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000743854772 576817069 /nfs/dbraw/zinc/81/70/69/576817069.db2.gz LYMNGNJYEZVDPR-HXUWFJFHSA-N 1 2 328.264 3.060 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000743866861 576817721 /nfs/dbraw/zinc/81/77/21/576817721.db2.gz OCSNRYAZGDRFRN-LBPRGKRZSA-N 1 2 333.270 3.226 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000743866861 576817722 /nfs/dbraw/zinc/81/77/22/576817722.db2.gz OCSNRYAZGDRFRN-LBPRGKRZSA-N 1 2 333.270 3.226 20 30 EGEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc2ccco2)cc1 ZINC000042334496 1291441201 /nfs/dbraw/zinc/44/12/01/1291441201.db2.gz IFGHCZVBYAHICS-INIZCTEOSA-N 1 2 325.412 3.355 20 30 EGEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc2ccco2)cc1 ZINC000042334496 1291441209 /nfs/dbraw/zinc/44/12/09/1291441209.db2.gz IFGHCZVBYAHICS-INIZCTEOSA-N 1 2 325.412 3.355 20 30 EGEDLO Cc1ccc([C@H](C)NC(=O)CO[NH+]=C(N)Cc2ccccc2)cc1C ZINC000047255960 1291569896 /nfs/dbraw/zinc/56/98/96/1291569896.db2.gz NSAWDUMEWYYBAB-INIZCTEOSA-N 1 2 339.439 3.012 20 30 EGEDLO N#CCOc1ccc(C[NH+]2CCN(c3c(F)cccc3F)CC2)cc1 ZINC000828826180 1292504961 /nfs/dbraw/zinc/50/49/61/1292504961.db2.gz AKFOWTMSDLFKEY-UHFFFAOYSA-N 1 2 343.377 3.189 20 30 EGEDLO C#CCOc1ccc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)cc1 ZINC000829026901 1292529176 /nfs/dbraw/zinc/52/91/76/1292529176.db2.gz NETOHTHRXYYMCP-UHFFFAOYSA-N 1 2 335.411 3.205 20 30 EGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C#Cc2cccs2)CC1 ZINC000829438515 1292571847 /nfs/dbraw/zinc/57/18/47/1292571847.db2.gz LCMOHRZNESATCN-AWEZNQCLSA-N 1 2 330.478 3.067 20 30 EGEDLO Cc1cc(C(N)=[NH+]OCc2nc(-c3ccsc3)no2)ccc1F ZINC000112969196 1293137573 /nfs/dbraw/zinc/13/75/73/1293137573.db2.gz WNAWCHDEFBSOPA-UHFFFAOYSA-N 1 2 332.360 3.083 20 30 EGEDLO COC(=O)c1cc(N=NC(C)C[NH+]2Cc3ccccc3C2)ccc1F ZINC000835010822 1293186768 /nfs/dbraw/zinc/18/67/68/1293186768.db2.gz BDZJVQZKEKUXLF-UHFFFAOYSA-N 1 2 341.386 3.416 20 30 EGEDLO C[C@@H](C#N)Oc1ccc(CNc2cc(CSCCO)cc[nH+]2)cc1 ZINC000130208452 1293648666 /nfs/dbraw/zinc/64/86/66/1293648666.db2.gz ADMNERGQYNLSQG-AWEZNQCLSA-N 1 2 343.452 3.210 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000135076745 1293787900 /nfs/dbraw/zinc/78/79/00/1293787900.db2.gz CJMAONZHRUYFPZ-FQEVSTJZSA-N 1 2 329.488 3.440 20 30 EGEDLO C[C@@H]1C[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2O)C[N@@H+]1Cc1ccccc1 ZINC000158183081 1294198261 /nfs/dbraw/zinc/19/82/61/1294198261.db2.gz AWSOZIIAOHHKTH-UYWYXKEBSA-N 1 2 339.395 3.382 20 30 EGEDLO C[C@@H]1C[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2O)C[N@H+]1Cc1ccccc1 ZINC000158183081 1294198263 /nfs/dbraw/zinc/19/82/63/1294198263.db2.gz AWSOZIIAOHHKTH-UYWYXKEBSA-N 1 2 339.395 3.382 20 30 EGEDLO Cc1ccccc1Cc1noc(CO[NH+]=C(N)Cc2ccccc2)n1 ZINC000175903226 1294579041 /nfs/dbraw/zinc/57/90/41/1294579041.db2.gz YJDXNCAPGTYQHD-UHFFFAOYSA-N 1 2 336.395 3.000 20 30 EGEDLO COc1ccc(C(N)=[NH+]OCc2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000194261453 1295962569 /nfs/dbraw/zinc/96/25/69/1295962569.db2.gz AANGNWARBAIZMM-UHFFFAOYSA-N 1 2 341.342 3.326 20 30 EGEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nc(C2CCCCC2)cs1 ZINC000871992309 1296640915 /nfs/dbraw/zinc/64/09/15/1296640915.db2.gz VPQQDGUYBLWQLO-CQSZACIVSA-N 1 2 339.530 3.489 20 30 EGEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nc(C2CCCCC2)cs1 ZINC000871992309 1296640930 /nfs/dbraw/zinc/64/09/30/1296640930.db2.gz VPQQDGUYBLWQLO-CQSZACIVSA-N 1 2 339.530 3.489 20 30 EGEDLO C=CCOc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000444657481 1297861252 /nfs/dbraw/zinc/86/12/52/1297861252.db2.gz KUSPEVCLWXAHJN-MRXNPFEDSA-N 1 2 325.412 3.005 20 30 EGEDLO CC(C)(C)c1nc(C#N)c(N=NCc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000746497781 1298597735 /nfs/dbraw/zinc/59/77/35/1298597735.db2.gz LQPIDAGCEUCLGY-UHFFFAOYSA-N 1 2 334.383 3.475 20 30 EGEDLO C=C(C)C[N@H+](Cc1cn(C[C@@H]2CCCO2)nn1)Cc1ccccc1 ZINC000877486787 1299338932 /nfs/dbraw/zinc/33/89/32/1299338932.db2.gz NLLYTKGNMJOHGB-IBGZPJMESA-N 1 2 326.444 3.035 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cn(C[C@@H]2CCCO2)nn1)Cc1ccccc1 ZINC000877486787 1299338941 /nfs/dbraw/zinc/33/89/41/1299338941.db2.gz NLLYTKGNMJOHGB-IBGZPJMESA-N 1 2 326.444 3.035 20 30 EGEDLO CC(=O)[C@](C#N)(CC[N@@H+](C)Cc1scnc1C)c1ccccc1 ZINC000878089148 1299741895 /nfs/dbraw/zinc/74/18/95/1299741895.db2.gz AJIPZVQONFCDFJ-GOSISDBHSA-N 1 2 327.453 3.324 20 30 EGEDLO CC(=O)[C@](C#N)(CC[N@H+](C)Cc1scnc1C)c1ccccc1 ZINC000878089148 1299741903 /nfs/dbraw/zinc/74/19/03/1299741903.db2.gz AJIPZVQONFCDFJ-GOSISDBHSA-N 1 2 327.453 3.324 20 30 EGEDLO C=CCc1cc(C[N@H+]2C[C@H](C(F)(F)F)O[C@@H](C)C2)c(O)c(OC)c1 ZINC000754736099 1300204685 /nfs/dbraw/zinc/20/46/85/1300204685.db2.gz FXQUDHQXCHINJK-XHDPSFHLSA-N 1 2 345.361 3.281 20 30 EGEDLO C=CCc1cc(C[N@@H+]2C[C@H](C(F)(F)F)O[C@@H](C)C2)c(O)c(OC)c1 ZINC000754736099 1300204695 /nfs/dbraw/zinc/20/46/95/1300204695.db2.gz FXQUDHQXCHINJK-XHDPSFHLSA-N 1 2 345.361 3.281 20 30 EGEDLO C#CC[N@@H+](Cc1cccc(C(=O)OC)c1C#N)[C@H]1CCc2ccccc21 ZINC000756485304 1300503725 /nfs/dbraw/zinc/50/37/25/1300503725.db2.gz CLGPQIOKGWKSTJ-NRFANRHFSA-N 1 2 344.414 3.468 20 30 EGEDLO C#CC[N@H+](Cc1cccc(C(=O)OC)c1C#N)[C@H]1CCc2ccccc21 ZINC000756485304 1300503729 /nfs/dbraw/zinc/50/37/29/1300503729.db2.gz CLGPQIOKGWKSTJ-NRFANRHFSA-N 1 2 344.414 3.468 20 30 EGEDLO CC[C@@H]1CCC[C@H]1N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000756775057 1300563632 /nfs/dbraw/zinc/56/36/32/1300563632.db2.gz LWOURFVQLWQICC-ZIAGYGMSSA-N 1 2 338.455 3.225 20 30 EGEDLO C/C(=C/c1ccccc1)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000758036779 1300776268 /nfs/dbraw/zinc/77/62/68/1300776268.db2.gz VPJNNAFMKBTAEN-TXTZYTMVSA-N 1 2 341.455 3.439 20 30 EGEDLO Cc1nc(C#N)cc(N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000882030211 1301795967 /nfs/dbraw/zinc/79/59/67/1301795967.db2.gz SMCNHCTYJSNALH-ZDUSSCGKSA-N 1 2 341.846 3.193 20 30 EGEDLO C#CC[N@@H+](CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000763949564 1301987643 /nfs/dbraw/zinc/98/76/43/1301987643.db2.gz DZESNQRFJWQBFB-UHFFFAOYSA-N 1 2 342.826 3.314 20 30 EGEDLO C#CC[N@H+](CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000763949564 1301987649 /nfs/dbraw/zinc/98/76/49/1301987649.db2.gz DZESNQRFJWQBFB-UHFFFAOYSA-N 1 2 342.826 3.314 20 30 EGEDLO N#Cc1c2c(cn(C[NH+]3CCC(c4ccccc4)CC3)c1=O)CCC2 ZINC000766612423 1302487263 /nfs/dbraw/zinc/48/72/63/1302487263.db2.gz WHZMHJPYPCSSIA-UHFFFAOYSA-N 1 2 333.435 3.046 20 30 EGEDLO C/C(=C/c1ccccc1)C[N@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766632663 1302492551 /nfs/dbraw/zinc/49/25/51/1302492551.db2.gz BRIQKWCIXHRTBJ-WJDWOHSUSA-N 1 2 333.435 3.201 20 30 EGEDLO C/C(=C/c1ccccc1)C[N@@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766632663 1302492554 /nfs/dbraw/zinc/49/25/54/1302492554.db2.gz BRIQKWCIXHRTBJ-WJDWOHSUSA-N 1 2 333.435 3.201 20 30 EGEDLO CCn1c(N[NH+]=C(C)c2ccccc2N(C)C)nc2ccccc2c1=O ZINC000769569280 1303141821 /nfs/dbraw/zinc/14/18/21/1303141821.db2.gz GRIAEXVJEOZPJN-UHFFFAOYSA-N 1 2 349.438 3.319 20 30 EGEDLO Cc1nn2c(nc3ccccc3c2=O)c1=C[NH2+]Nc1c(C)cccc1F ZINC000769828325 1303182485 /nfs/dbraw/zinc/18/24/85/1303182485.db2.gz RKIHSCZQRVZCED-UHFFFAOYSA-N 1 2 349.369 3.378 20 30 EGEDLO C=CC[C@H](NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccncc1 ZINC000770626684 1303295700 /nfs/dbraw/zinc/29/57/00/1303295700.db2.gz RFIODVYPBKZFQL-SJORKVTESA-N 1 2 339.443 3.022 20 30 EGEDLO C[C@H](C(=O)OCC#Cc1ccc(F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000771362150 1303394886 /nfs/dbraw/zinc/39/48/86/1303394886.db2.gz LXSXZGQRDBJDNF-MRXNPFEDSA-N 1 2 337.394 3.167 20 30 EGEDLO C[C@H](C(=O)OCC#Cc1ccc(F)cc1)[N@H+]1CCc2ccccc2C1 ZINC000771362150 1303394890 /nfs/dbraw/zinc/39/48/90/1303394890.db2.gz LXSXZGQRDBJDNF-MRXNPFEDSA-N 1 2 337.394 3.167 20 30 EGEDLO Cc1c(C(=O)/C=C/c2c[nH+]c3ccc(C)cn23)c(C#N)c2n1CCC2 ZINC000771857496 1303451041 /nfs/dbraw/zinc/45/10/41/1303451041.db2.gz FFTQKLGFWANRLU-VOTSOKGWSA-N 1 2 330.391 3.467 20 30 EGEDLO N#Cc1ccc(Oc2cccc(C(=O)OCCn3cc[nH+]c3)c2)cc1 ZINC000771953933 1303466397 /nfs/dbraw/zinc/46/63/97/1303466397.db2.gz WHMDZWQMIVQUPS-UHFFFAOYSA-N 1 2 333.347 3.404 20 30 EGEDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000778937772 1304510250 /nfs/dbraw/zinc/51/02/50/1304510250.db2.gz XZSLUSWASPIAGI-UHFFFAOYSA-N 1 2 341.789 3.013 20 30 EGEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000778937772 1304510254 /nfs/dbraw/zinc/51/02/54/1304510254.db2.gz XZSLUSWASPIAGI-UHFFFAOYSA-N 1 2 341.789 3.013 20 30 EGEDLO C[NH+](C)[C@@H](C(=O)OCCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000780088611 1304637215 /nfs/dbraw/zinc/63/72/15/1304637215.db2.gz SDUXSJBOJMJRIW-LJQANCHMSA-N 1 2 338.407 3.173 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cccc(Cl)c2Cl)C1 ZINC000957313678 1317278371 /nfs/dbraw/zinc/27/83/71/1317278371.db2.gz QOWGNNYMQNWDCY-UHFFFAOYSA-N 1 2 325.239 3.163 20 30 EGEDLO COc1ccc(N[NH2+]C2=CC(=O)N3CCCC[C@@H]23)c(C(F)(F)F)c1 ZINC000793099592 1309295662 /nfs/dbraw/zinc/29/56/62/1309295662.db2.gz UHYZUCSEIJTELJ-AWEZNQCLSA-N 1 2 341.333 3.267 20 30 EGEDLO C#C[C@H](NC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1)c1ccc(Cl)cc1 ZINC000794071034 1309467545 /nfs/dbraw/zinc/46/75/45/1309467545.db2.gz QOVCMDJWUQAUOZ-SQNIBIBYSA-N 1 2 348.874 3.020 20 30 EGEDLO C#C[C@H](NC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1)c1ccc(Cl)cc1 ZINC000794071034 1309467551 /nfs/dbraw/zinc/46/75/51/1309467551.db2.gz QOVCMDJWUQAUOZ-SQNIBIBYSA-N 1 2 348.874 3.020 20 30 EGEDLO Cc1c(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)c(C#N)c2n1CCC2 ZINC000794706174 1309580534 /nfs/dbraw/zinc/58/05/34/1309580534.db2.gz FGAKVDIYSRLQQD-SREVYHEPSA-N 1 2 340.452 3.029 20 30 EGEDLO Cc1ncc(CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)cn1 ZINC000795206698 1309695392 /nfs/dbraw/zinc/69/53/92/1309695392.db2.gz QWZNCHSMMPXPOD-UHFFFAOYSA-N 1 2 348.406 3.201 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OCc1ccccc1C#N ZINC000796010341 1309884627 /nfs/dbraw/zinc/88/46/27/1309884627.db2.gz VEEKVNMTBDATDO-UHFFFAOYSA-N 1 2 341.317 3.238 20 30 EGEDLO Cc1cccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1C ZINC000798274971 1310333220 /nfs/dbraw/zinc/33/32/20/1310333220.db2.gz LTJFFYZJVPLDRC-IAGOWNOFSA-N 1 2 329.444 3.152 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@H]3CCC4(CCCC4)O3)CCO2)c1 ZINC000801525829 1310955219 /nfs/dbraw/zinc/95/52/19/1310955219.db2.gz OYBMHLBDWADTJS-MOPGFXCFSA-N 1 2 326.440 3.423 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H]3CCC4(CCCC4)O3)CCO2)c1 ZINC000801525829 1310955229 /nfs/dbraw/zinc/95/52/29/1310955229.db2.gz OYBMHLBDWADTJS-MOPGFXCFSA-N 1 2 326.440 3.423 20 30 EGEDLO CCCCCCCNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000858111840 1328686121 /nfs/dbraw/zinc/68/61/21/1328686121.db2.gz VNZAELAXMFUVTM-QGZVFWFLSA-N 1 2 332.492 3.440 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000957313537 1317277914 /nfs/dbraw/zinc/27/79/14/1317277914.db2.gz JVPAYQXJHBCGJW-UHFFFAOYSA-N 1 2 326.362 3.428 20 30 EGEDLO C=CCC[NH+]1CCC2(CCN(C(=O)C(F)C(F)(F)F)CC2)CC1 ZINC000957552405 1317449223 /nfs/dbraw/zinc/44/92/23/1317449223.db2.gz NIABIWUCEZXXQL-ZDUSSCGKSA-N 1 2 336.373 3.168 20 30 EGEDLO C=CCC[NH+]1CCC2(CCN(C(=O)[C@H](F)C(F)(F)F)CC2)CC1 ZINC000957552405 1317449226 /nfs/dbraw/zinc/44/92/26/1317449226.db2.gz NIABIWUCEZXXQL-ZDUSSCGKSA-N 1 2 336.373 3.168 20 30 EGEDLO Cc1ccc(CC(=O)N2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1C ZINC000957570163 1317468792 /nfs/dbraw/zinc/46/87/92/1317468792.db2.gz SNGXZCCLASNDPH-UHFFFAOYSA-N 1 2 347.462 3.062 20 30 EGEDLO Cc1nn(C)c2sc(C(=O)/C=C\c3ncc(C[NH+](C)C)s3)cc12 ZINC000806577209 1317506059 /nfs/dbraw/zinc/50/60/59/1317506059.db2.gz OKXWVTBMVJVWKO-WAYWQWQTSA-N 1 2 346.481 3.357 20 30 EGEDLO Cc1noc([C@H]2CCCC[N@H+]2Cc2ccc(O[C@H](C)C#N)cc2)n1 ZINC000809718637 1317874250 /nfs/dbraw/zinc/87/42/50/1317874250.db2.gz MFSMCTFWDLWTJN-CXAGYDPISA-N 1 2 326.400 3.396 20 30 EGEDLO Cc1noc([C@H]2CCCC[N@@H+]2Cc2ccc(O[C@H](C)C#N)cc2)n1 ZINC000809718637 1317874257 /nfs/dbraw/zinc/87/42/57/1317874257.db2.gz MFSMCTFWDLWTJN-CXAGYDPISA-N 1 2 326.400 3.396 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc(OC)nc1OC ZINC000810177734 1317968947 /nfs/dbraw/zinc/96/89/47/1317968947.db2.gz WKUJTFCFRNQXLK-UHFFFAOYSA-N 1 2 346.814 3.054 20 30 EGEDLO CN(C)c1ncc(C=[NH+]OCc2ccc(C(F)(F)F)cc2)n1C ZINC000811645351 1318217395 /nfs/dbraw/zinc/21/73/95/1318217395.db2.gz IXZZXYWZNLKOFV-UHFFFAOYSA-N 1 2 326.322 3.056 20 30 EGEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1csc(C(C)(C)C)n1 ZINC000960504328 1318613718 /nfs/dbraw/zinc/61/37/18/1318613718.db2.gz WEUJELODMIKOKL-UKRRQHHQSA-N 1 2 348.516 3.023 20 30 EGEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1csc(C(C)(C)C)n1 ZINC000960504328 1318613729 /nfs/dbraw/zinc/61/37/29/1318613729.db2.gz WEUJELODMIKOKL-UKRRQHHQSA-N 1 2 348.516 3.023 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccn(C(C)C)n1 ZINC000960789398 1318893009 /nfs/dbraw/zinc/89/30/09/1318893009.db2.gz WHCMSCCXAZXKKR-GOSISDBHSA-N 1 2 346.519 3.489 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccn(C(C)C)n1 ZINC000960789398 1318893017 /nfs/dbraw/zinc/89/30/17/1318893017.db2.gz WHCMSCCXAZXKKR-GOSISDBHSA-N 1 2 346.519 3.489 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2nccs2)CC1 ZINC000960835849 1318967191 /nfs/dbraw/zinc/96/71/91/1318967191.db2.gz DLXMQQDIWYSNPT-MRXNPFEDSA-N 1 2 333.501 3.312 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2nccs2)CC1 ZINC000960835849 1318967198 /nfs/dbraw/zinc/96/71/98/1318967198.db2.gz DLXMQQDIWYSNPT-MRXNPFEDSA-N 1 2 333.501 3.312 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2nc(C)c(C)o2)CC1 ZINC000960837309 1318970783 /nfs/dbraw/zinc/97/07/83/1318970783.db2.gz ICYFJONBTIEWIG-SFHVURJKSA-N 1 2 345.487 3.461 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2nc(C)c(C)o2)CC1 ZINC000960837309 1318970792 /nfs/dbraw/zinc/97/07/92/1318970792.db2.gz ICYFJONBTIEWIG-SFHVURJKSA-N 1 2 345.487 3.461 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2ncc(CC)o2)CC1 ZINC000960839696 1318972055 /nfs/dbraw/zinc/97/20/55/1318972055.db2.gz STKXCQJAQVDPLC-QGZVFWFLSA-N 1 2 345.487 3.406 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2ncc(CC)o2)CC1 ZINC000960839696 1318972067 /nfs/dbraw/zinc/97/20/67/1318972067.db2.gz STKXCQJAQVDPLC-QGZVFWFLSA-N 1 2 345.487 3.406 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@@H+](C)[C@@H](C)c2ncc(C)o2)C1 ZINC000960846491 1318984832 /nfs/dbraw/zinc/98/48/32/1318984832.db2.gz LKFSUCMYHYIKTD-JKSUJKDBSA-N 1 2 331.460 3.323 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@H+](C)[C@@H](C)c2ncc(C)o2)C1 ZINC000960846491 1318984840 /nfs/dbraw/zinc/98/48/40/1318984840.db2.gz LKFSUCMYHYIKTD-JKSUJKDBSA-N 1 2 331.460 3.323 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000960905045 1319047630 /nfs/dbraw/zinc/04/76/30/1319047630.db2.gz IAPGLBWPJKNRHM-DNVCBOLYSA-N 1 2 345.462 3.412 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000960905045 1319047639 /nfs/dbraw/zinc/04/76/39/1319047639.db2.gz IAPGLBWPJKNRHM-DNVCBOLYSA-N 1 2 345.462 3.412 20 30 EGEDLO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2cnccc2N)ccc1OC ZINC000817917037 1319459691 /nfs/dbraw/zinc/45/96/91/1319459691.db2.gz DKUCBAGDRHHCOZ-UKRRQHHQSA-N 1 2 340.427 3.035 20 30 EGEDLO CC[C@H](C#N)Oc1cc(CN[C@H](C)c2c[nH+]ccc2N)ccc1OC ZINC000817917037 1319459697 /nfs/dbraw/zinc/45/96/97/1319459697.db2.gz DKUCBAGDRHHCOZ-UKRRQHHQSA-N 1 2 340.427 3.035 20 30 EGEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)nn1 ZINC000818346993 1319534180 /nfs/dbraw/zinc/53/41/80/1319534180.db2.gz LZZORVLKTCINFP-VIFPVBQESA-N 1 2 327.215 3.327 20 30 EGEDLO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)cc1 ZINC000818357558 1319535561 /nfs/dbraw/zinc/53/55/61/1319535561.db2.gz AEWUEELHCRPRER-OLZOCXBDSA-N 1 2 344.436 3.354 20 30 EGEDLO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000916622791 1319686703 /nfs/dbraw/zinc/68/67/03/1319686703.db2.gz LOCDRXJCGRMXGH-MGPQQGTHSA-N 1 2 327.453 3.450 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NCCNC(=O)c1cccc(C)c1 ZINC000820633767 1319925077 /nfs/dbraw/zinc/92/50/77/1319925077.db2.gz ICKKXZWCEHDFEA-UHFFFAOYSA-N 1 2 337.423 3.024 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CCCC1 ZINC000825732305 1320358603 /nfs/dbraw/zinc/35/86/03/1320358603.db2.gz UJNWPBYEJUTXPU-LJQANCHMSA-N 1 2 342.483 3.001 20 30 EGEDLO C#CCCOC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000858900061 1328885971 /nfs/dbraw/zinc/88/59/71/1328885971.db2.gz JCYHGNKRANSCBW-HNNXBMFYSA-N 1 2 338.810 3.366 20 30 EGEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(CC#N)c1 ZINC000836764250 1320531571 /nfs/dbraw/zinc/53/15/71/1320531571.db2.gz HRXFSRVGHQGKFA-MRXNPFEDSA-N 1 2 325.416 3.186 20 30 EGEDLO C#CCCCS(=O)(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000840945120 1321183199 /nfs/dbraw/zinc/18/31/99/1321183199.db2.gz ACJVOGXNVRCHFG-UHFFFAOYSA-N 1 2 333.457 3.026 20 30 EGEDLO CNC(=S)N(C)[NH+]=Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000841647085 1321291369 /nfs/dbraw/zinc/29/13/69/1321291369.db2.gz QEJUNGZSXIWCBO-UHFFFAOYSA-N 1 2 332.498 3.155 20 30 EGEDLO C[C@@H]1C[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)[C@@H](C)[C@H]1C ZINC000842166251 1321356742 /nfs/dbraw/zinc/35/67/42/1321356742.db2.gz JVWBDPYOHFJDFU-RFGFWPKPSA-N 1 2 327.453 3.449 20 30 EGEDLO C[C@@H]1C[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)[C@@H](C)[C@H]1C ZINC000842166251 1321356748 /nfs/dbraw/zinc/35/67/48/1321356748.db2.gz JVWBDPYOHFJDFU-RFGFWPKPSA-N 1 2 327.453 3.449 20 30 EGEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@H](c3cccnc3)C2)nc1C1CC1 ZINC000842622997 1321408563 /nfs/dbraw/zinc/40/85/63/1321408563.db2.gz RVIWWSTVLRUQLA-INIZCTEOSA-N 1 2 341.484 3.319 20 30 EGEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@H](c3cccnc3)C2)nc1C1CC1 ZINC000842622997 1321408565 /nfs/dbraw/zinc/40/85/65/1321408565.db2.gz RVIWWSTVLRUQLA-INIZCTEOSA-N 1 2 341.484 3.319 20 30 EGEDLO Cc1nc(NCc2cccc(C(=O)N[C@H](C#N)C3CCCC3)c2)cc[nH+]1 ZINC000921544914 1322347677 /nfs/dbraw/zinc/34/76/77/1322347677.db2.gz CKIVXJXDZQAICY-GOSISDBHSA-N 1 2 349.438 3.209 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc2c1COCC2 ZINC001024478621 1323432164 /nfs/dbraw/zinc/43/21/64/1323432164.db2.gz UOKIWOYIHCIFID-MRXNPFEDSA-N 1 2 348.874 3.096 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc2c1COCC2 ZINC001024478621 1323432165 /nfs/dbraw/zinc/43/21/65/1323432165.db2.gz UOKIWOYIHCIFID-MRXNPFEDSA-N 1 2 348.874 3.096 20 30 EGEDLO Cc1coc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccc(C#N)s2)c1 ZINC001024612116 1323539885 /nfs/dbraw/zinc/53/98/85/1323539885.db2.gz LCXUCUVVSMCJJW-AWEZNQCLSA-N 1 2 343.452 3.306 20 30 EGEDLO Cc1coc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccc(C#N)s2)c1 ZINC001024612116 1323539887 /nfs/dbraw/zinc/53/98/87/1323539887.db2.gz LCXUCUVVSMCJJW-AWEZNQCLSA-N 1 2 343.452 3.306 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001024683933 1323597950 /nfs/dbraw/zinc/59/79/50/1323597950.db2.gz QZXGJZFEZSFLPI-ZIAGYGMSSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001024683933 1323597954 /nfs/dbraw/zinc/59/79/54/1323597954.db2.gz QZXGJZFEZSFLPI-ZIAGYGMSSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(OC)c1F ZINC001024726731 1323627718 /nfs/dbraw/zinc/62/77/18/1323627718.db2.gz ZGLKYXJDQHCFSY-CYBMUJFWSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(OC)c1F ZINC001024726731 1323627728 /nfs/dbraw/zinc/62/77/28/1323627728.db2.gz ZGLKYXJDQHCFSY-CYBMUJFWSA-N 1 2 340.826 3.171 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCCC[C@H]1C[NH2+]Cc1nc(C2CCC2)no1 ZINC001025040808 1323843073 /nfs/dbraw/zinc/84/30/73/1323843073.db2.gz MLDNKQGDKFBXNL-HNNXBMFYSA-N 1 2 346.475 3.020 20 30 EGEDLO Cc1cc(C#N)cc(NC(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000931698788 1329166552 /nfs/dbraw/zinc/16/65/52/1329166552.db2.gz PYTLQIFBWUNWNB-UHFFFAOYSA-N 1 2 335.411 3.370 20 30 EGEDLO C=CC[N@@H+](CN1C(=O)C2(CCC2)[C@@H]1c1ccccc1)[C@@H](C)COC ZINC000853535005 1325116821 /nfs/dbraw/zinc/11/68/21/1325116821.db2.gz OJIHEDCHYWUKFU-WMZOPIPTSA-N 1 2 328.456 3.221 20 30 EGEDLO C=CC[N@H+](CN1C(=O)C2(CCC2)[C@@H]1c1ccccc1)[C@@H](C)COC ZINC000853535005 1325116807 /nfs/dbraw/zinc/11/68/07/1325116807.db2.gz OJIHEDCHYWUKFU-WMZOPIPTSA-N 1 2 328.456 3.221 20 30 EGEDLO C=CC[C@H]1CCC[N@H+](Cn2ncn(CCc3ccccn3)c2=S)C1 ZINC000853537009 1325117845 /nfs/dbraw/zinc/11/78/45/1325117845.db2.gz MIIVQRCJAWCVTE-INIZCTEOSA-N 1 2 343.500 3.297 20 30 EGEDLO C=CC[C@H]1CCC[N@@H+](Cn2ncn(CCc3ccccn3)c2=S)C1 ZINC000853537009 1325117852 /nfs/dbraw/zinc/11/78/52/1325117852.db2.gz MIIVQRCJAWCVTE-INIZCTEOSA-N 1 2 343.500 3.297 20 30 EGEDLO C[C@@H](C#N)[N@H+](Cn1ccc(=O)c2cccc(Br)c21)C1CC1 ZINC000853546577 1325120141 /nfs/dbraw/zinc/12/01/41/1325120141.db2.gz LSUSZXPXAWTERR-NSHDSACASA-N 1 2 346.228 3.098 20 30 EGEDLO C[C@@H](C#N)[N@@H+](Cn1ccc(=O)c2cccc(Br)c21)C1CC1 ZINC000853546577 1325120149 /nfs/dbraw/zinc/12/01/49/1325120149.db2.gz LSUSZXPXAWTERR-NSHDSACASA-N 1 2 346.228 3.098 20 30 EGEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2c(F)cccc2Cl)C1 ZINC001027330215 1325486293 /nfs/dbraw/zinc/48/62/93/1325486293.db2.gz LKCWEOJWMLKTAV-QWHCGFSZSA-N 1 2 337.826 3.062 20 30 EGEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2c(F)cccc2Cl)C1 ZINC001027330215 1325486301 /nfs/dbraw/zinc/48/63/01/1325486301.db2.gz LKCWEOJWMLKTAV-QWHCGFSZSA-N 1 2 337.826 3.062 20 30 EGEDLO C[C@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)c1ccsc1 ZINC000964936143 1327782181 /nfs/dbraw/zinc/78/21/81/1327782181.db2.gz NNLYQCPBIYVBNC-KSSFIOAISA-N 1 2 339.464 3.260 20 30 EGEDLO C[C@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)c1ccsc1 ZINC000964936143 1327782187 /nfs/dbraw/zinc/78/21/87/1327782187.db2.gz NNLYQCPBIYVBNC-KSSFIOAISA-N 1 2 339.464 3.260 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001027811293 1328258114 /nfs/dbraw/zinc/25/81/14/1328258114.db2.gz DQZXQMDNGDONCB-LBPRGKRZSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001027811293 1328258120 /nfs/dbraw/zinc/25/81/20/1328258120.db2.gz DQZXQMDNGDONCB-LBPRGKRZSA-N 1 2 343.309 3.158 20 30 EGEDLO C[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C[C@@H]1NC(=O)C1(C)CC1 ZINC000966301583 1328261439 /nfs/dbraw/zinc/26/14/39/1328261439.db2.gz UYETZSJHUQLJOE-YJBOKZPZSA-N 1 2 344.886 3.318 20 30 EGEDLO C[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C[C@@H]1NC(=O)C1(C)CC1 ZINC000966301583 1328261446 /nfs/dbraw/zinc/26/14/46/1328261446.db2.gz UYETZSJHUQLJOE-YJBOKZPZSA-N 1 2 344.886 3.318 20 30 EGEDLO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2C#N)oc1C ZINC001027821876 1328278285 /nfs/dbraw/zinc/27/82/85/1328278285.db2.gz TWCIVAJCSUOUFD-SFHVURJKSA-N 1 2 337.423 3.163 20 30 EGEDLO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2C#N)oc1C ZINC001027821876 1328278290 /nfs/dbraw/zinc/27/82/90/1328278290.db2.gz TWCIVAJCSUOUFD-SFHVURJKSA-N 1 2 337.423 3.163 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)C1=CCCCCC1 ZINC001027847787 1328306324 /nfs/dbraw/zinc/30/63/24/1328306324.db2.gz NUHXIVSDXGDAJX-HNNXBMFYSA-N 1 2 341.293 3.366 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)C1=CCCCCC1 ZINC001027847787 1328306333 /nfs/dbraw/zinc/30/63/33/1328306333.db2.gz NUHXIVSDXGDAJX-HNNXBMFYSA-N 1 2 341.293 3.366 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn3c2CCCC3)C1 ZINC000966840678 1328435589 /nfs/dbraw/zinc/43/55/89/1328435589.db2.gz FZJLRSSHRQOUHK-XJKSGUPXSA-N 1 2 335.879 3.017 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn3c2CCCC3)C1 ZINC000966840678 1328435594 /nfs/dbraw/zinc/43/55/94/1328435594.db2.gz FZJLRSSHRQOUHK-XJKSGUPXSA-N 1 2 335.879 3.017 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3nc(C)oc3c2)C1 ZINC000966874262 1328447740 /nfs/dbraw/zinc/44/77/40/1328447740.db2.gz FFWRUIHVKGEHAF-MEDUHNTESA-N 1 2 347.846 3.329 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3nc(C)oc3c2)C1 ZINC000966874262 1328447750 /nfs/dbraw/zinc/44/77/50/1328447750.db2.gz FFWRUIHVKGEHAF-MEDUHNTESA-N 1 2 347.846 3.329 20 30 EGEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000862506522 1329491945 /nfs/dbraw/zinc/49/19/45/1329491945.db2.gz AWQJELRHVQHTRQ-CQSZACIVSA-N 1 2 334.423 3.203 20 30 EGEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000862506522 1329491947 /nfs/dbraw/zinc/49/19/47/1329491947.db2.gz AWQJELRHVQHTRQ-CQSZACIVSA-N 1 2 334.423 3.203 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000933859182 1329929084 /nfs/dbraw/zinc/92/90/84/1329929084.db2.gz FPQFOJDYDOZMHC-VQIMIIECSA-N 1 2 330.391 3.475 20 30 EGEDLO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)CC[C@@H]2C1 ZINC000946597779 1332859617 /nfs/dbraw/zinc/85/96/17/1332859617.db2.gz JVTMZZBIYNSRNB-MJBXVCDLSA-N 1 2 336.373 3.023 20 30 EGEDLO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)CC[C@@H]2C1 ZINC000946597779 1332859619 /nfs/dbraw/zinc/85/96/19/1332859619.db2.gz JVTMZZBIYNSRNB-MJBXVCDLSA-N 1 2 336.373 3.023 20 30 EGEDLO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](F)C(F)(F)F)CC[C@@H]2C1 ZINC000946597779 1332859622 /nfs/dbraw/zinc/85/96/22/1332859622.db2.gz JVTMZZBIYNSRNB-MJBXVCDLSA-N 1 2 336.373 3.023 20 30 EGEDLO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](F)C(F)(F)F)CC[C@@H]2C1 ZINC000946597779 1332859625 /nfs/dbraw/zinc/85/96/25/1332859625.db2.gz JVTMZZBIYNSRNB-MJBXVCDLSA-N 1 2 336.373 3.023 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cccs2)C[C@H]1C ZINC000947018168 1332976103 /nfs/dbraw/zinc/97/61/03/1332976103.db2.gz UNAOLYKFAVLTGW-NEPJUHHUSA-N 1 2 343.290 3.239 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cccs2)C[C@H]1C ZINC000947018168 1332976105 /nfs/dbraw/zinc/97/61/05/1332976105.db2.gz UNAOLYKFAVLTGW-NEPJUHHUSA-N 1 2 343.290 3.239 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccc(C)o2)C[C@H]1C ZINC000947026418 1332979267 /nfs/dbraw/zinc/97/92/67/1332979267.db2.gz LPZOCBAWYVZJHF-YPMHNXCESA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)o2)C[C@H]1C ZINC000947026418 1332979270 /nfs/dbraw/zinc/97/92/70/1332979270.db2.gz LPZOCBAWYVZJHF-YPMHNXCESA-N 1 2 341.249 3.079 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)CC2CCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947161364 1333029066 /nfs/dbraw/zinc/02/90/66/1333029066.db2.gz DRTOSOIWNNDQRQ-KUHUBIRLSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)CC2CCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947161364 1333029068 /nfs/dbraw/zinc/02/90/68/1333029068.db2.gz DRTOSOIWNNDQRQ-KUHUBIRLSA-N 1 2 343.446 3.357 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C2(C)CCC2)C[C@H]1C ZINC000947611422 1333192243 /nfs/dbraw/zinc/19/22/43/1333192243.db2.gz LGUPHSUIGVOIQC-CHWSQXEVSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CCC2)C[C@H]1C ZINC000947611422 1333192244 /nfs/dbraw/zinc/19/22/44/1333192244.db2.gz LGUPHSUIGVOIQC-CHWSQXEVSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nnc(C)s3)[C@@H](C)C2)CC1 ZINC000947684120 1333222080 /nfs/dbraw/zinc/22/20/80/1333222080.db2.gz GBCFGTHGYSHQFB-BBRMVZONSA-N 1 2 348.516 3.062 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(C)s3)[C@@H](C)C2)CC1 ZINC000947684120 1333222082 /nfs/dbraw/zinc/22/20/82/1333222082.db2.gz GBCFGTHGYSHQFB-BBRMVZONSA-N 1 2 348.516 3.062 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C)cn3)[C@@H](C)C2)CC1 ZINC000947690303 1333225234 /nfs/dbraw/zinc/22/52/34/1333225234.db2.gz UPWLOHXONCZKAC-WMZOPIPTSA-N 1 2 342.487 3.001 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C)cn3)[C@@H](C)C2)CC1 ZINC000947690303 1333225235 /nfs/dbraw/zinc/22/52/35/1333225235.db2.gz UPWLOHXONCZKAC-WMZOPIPTSA-N 1 2 342.487 3.001 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C(C)C)no3)[C@@H](C)C2)C1 ZINC000947703286 1333233538 /nfs/dbraw/zinc/23/35/38/1333233538.db2.gz XBDSQXYIIGIKSO-GJZGRUSLSA-N 1 2 346.475 3.018 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nc(C(C)C)no3)[C@@H](C)C2)C1 ZINC000947703286 1333233541 /nfs/dbraw/zinc/23/35/41/1333233541.db2.gz XBDSQXYIIGIKSO-GJZGRUSLSA-N 1 2 346.475 3.018 20 30 EGEDLO CCc1cccc(CC(=O)N2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000948924076 1333736180 /nfs/dbraw/zinc/73/61/80/1333736180.db2.gz DIUKZOOGIWFIEK-UHFFFAOYSA-N 1 2 347.462 3.008 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000948940386 1333741613 /nfs/dbraw/zinc/74/16/13/1333741613.db2.gz IFGGYAZEODEBQN-FMWKFLBASA-N 1 2 336.479 3.162 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000948940386 1333741617 /nfs/dbraw/zinc/74/16/17/1333741617.db2.gz IFGGYAZEODEBQN-FMWKFLBASA-N 1 2 336.479 3.162 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ocnc1C(F)F ZINC000948962845 1333749435 /nfs/dbraw/zinc/74/94/35/1333749435.db2.gz RPKUVFXWBNTYIB-CQSZACIVSA-N 1 2 347.365 3.127 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ocnc1C(F)F ZINC000948962845 1333749437 /nfs/dbraw/zinc/74/94/37/1333749437.db2.gz RPKUVFXWBNTYIB-CQSZACIVSA-N 1 2 347.365 3.127 20 30 EGEDLO CCN(C(=O)C1=CCCCCC1)C1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000949959711 1333976610 /nfs/dbraw/zinc/97/66/10/1333976610.db2.gz HGCNXLLPMYYQAL-UHFFFAOYSA-N 1 2 337.467 3.481 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](CCOc2cccc(C)c2)CC1 ZINC000950051652 1334003819 /nfs/dbraw/zinc/00/38/19/1334003819.db2.gz PYDLISUFIMJLAO-FQEVSTJZSA-N 1 2 330.472 3.120 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[NH+]([C@H]3CCc4ccc(F)cc43)CC2)C1 ZINC000950373366 1334053230 /nfs/dbraw/zinc/05/32/30/1334053230.db2.gz UYHCLDVCQLGBQM-SFHVURJKSA-N 1 2 328.431 3.314 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(-c3cccs3)on2)C1 ZINC000951004497 1334166508 /nfs/dbraw/zinc/16/65/08/1334166508.db2.gz OMDNOOCNZWSZDJ-UHFFFAOYSA-N 1 2 331.441 3.126 20 30 EGEDLO C#Cc1cncc(C(=O)N(CC)C2C[NH+](Cc3cc(C)cc(C)c3)C2)c1 ZINC000951719639 1334307617 /nfs/dbraw/zinc/30/76/17/1334307617.db2.gz XEBNQNYJRATXDB-UHFFFAOYSA-N 1 2 347.462 3.026 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccnc2C(F)F)C1 ZINC000967290834 1335692006 /nfs/dbraw/zinc/69/20/06/1335692006.db2.gz DNXGHNAUQXSJQX-GWCFXTLKSA-N 1 2 343.805 3.212 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccnc2C(F)F)C1 ZINC000967290834 1335692008 /nfs/dbraw/zinc/69/20/08/1335692008.db2.gz DNXGHNAUQXSJQX-GWCFXTLKSA-N 1 2 343.805 3.212 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C)nc2C2CC2)C1 ZINC000967496960 1335759155 /nfs/dbraw/zinc/75/91/55/1335759155.db2.gz NDMISDKJBIJILD-PXAZEXFGSA-N 1 2 347.890 3.460 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C)nc2C2CC2)C1 ZINC000967496960 1335759156 /nfs/dbraw/zinc/75/91/56/1335759156.db2.gz NDMISDKJBIJILD-PXAZEXFGSA-N 1 2 347.890 3.460 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cncc3sccc32)C1 ZINC000967995898 1335841897 /nfs/dbraw/zinc/84/18/97/1335841897.db2.gz PQZHTDBOLMJFDY-IAQYHMDHSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cncc3sccc32)C1 ZINC000967995898 1335841899 /nfs/dbraw/zinc/84/18/99/1335841899.db2.gz PQZHTDBOLMJFDY-IAQYHMDHSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3nc(C)c(C)s3)CC[C@H]2C)C1 ZINC000968212616 1335873223 /nfs/dbraw/zinc/87/32/23/1335873223.db2.gz NPIAENTWONIKPW-CZUORRHYSA-N 1 2 347.528 3.443 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3nc(C)c(C)s3)CC[C@H]2C)C1 ZINC000968212616 1335873226 /nfs/dbraw/zinc/87/32/26/1335873226.db2.gz NPIAENTWONIKPW-CZUORRHYSA-N 1 2 347.528 3.443 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](Cc3nc(C)sc3C)CC[C@H]2C)C1 ZINC000968273691 1335882190 /nfs/dbraw/zinc/88/21/90/1335882190.db2.gz IQTLSPONZVNXJD-CJNGLKHVSA-N 1 2 347.528 3.443 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](Cc3nc(C)sc3C)CC[C@H]2C)C1 ZINC000968273691 1335882193 /nfs/dbraw/zinc/88/21/93/1335882193.db2.gz IQTLSPONZVNXJD-CJNGLKHVSA-N 1 2 347.528 3.443 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc3c2ccn3C)C1 ZINC000968423191 1335925393 /nfs/dbraw/zinc/92/53/93/1335925393.db2.gz PGEAAMBVJLANAA-SUMWQHHRSA-N 1 2 345.874 3.371 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc3c2ccn3C)C1 ZINC000968423191 1335925394 /nfs/dbraw/zinc/92/53/94/1335925394.db2.gz PGEAAMBVJLANAA-SUMWQHHRSA-N 1 2 345.874 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC000968615627 1335985268 /nfs/dbraw/zinc/98/52/68/1335985268.db2.gz ZXGSWUAMKKDPAK-KSSFIOAISA-N 1 2 334.891 3.425 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC000968615627 1335985270 /nfs/dbraw/zinc/98/52/70/1335985270.db2.gz ZXGSWUAMKKDPAK-KSSFIOAISA-N 1 2 334.891 3.425 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CCC1 ZINC000968727255 1336026959 /nfs/dbraw/zinc/02/69/59/1336026959.db2.gz ONSAHRLWLNQADQ-CQSZACIVSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCCCC[C@@H]1CNC(=O)C1CCC1 ZINC000968727255 1336026962 /nfs/dbraw/zinc/02/69/62/1336026962.db2.gz ONSAHRLWLNQADQ-CQSZACIVSA-N 1 2 329.282 3.056 20 30 EGEDLO C[C@@H](NC(=O)c1ccc(Cl)o1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969307644 1336197598 /nfs/dbraw/zinc/19/75/98/1336197598.db2.gz IRWFAMIJIIIZMG-GFCCVEGCSA-N 1 2 343.814 3.055 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC000969689273 1336237333 /nfs/dbraw/zinc/23/73/33/1336237333.db2.gz IFJKCLHVQZYRII-CYBMUJFWSA-N 1 2 335.879 3.182 20 30 EGEDLO CN(C(=O)C1(C)CC1)C1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC001005432684 1336347765 /nfs/dbraw/zinc/34/77/65/1336347765.db2.gz RWXMXEMVIDPRFP-UHFFFAOYSA-N 1 2 344.886 3.414 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2CC[NH+](Cc3ncc(C4CC4)o3)CC2)C1 ZINC001005933000 1336424952 /nfs/dbraw/zinc/42/49/52/1336424952.db2.gz LGNOLWCRPLIOBR-UHFFFAOYSA-N 1 2 343.471 3.331 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)s1 ZINC001006604658 1336537366 /nfs/dbraw/zinc/53/73/66/1336537366.db2.gz WGGQFHAFXWWBQN-SFHVURJKSA-N 1 2 338.476 3.302 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)s1 ZINC001006604658 1336537367 /nfs/dbraw/zinc/53/73/67/1336537367.db2.gz WGGQFHAFXWWBQN-SFHVURJKSA-N 1 2 338.476 3.302 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CC=CCC3)C2)c1 ZINC001006725559 1336564752 /nfs/dbraw/zinc/56/47/52/1336564752.db2.gz XQZRBUXZFABCIA-FUHWJXTLSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3CC=CCC3)C2)c1 ZINC001006725559 1336564758 /nfs/dbraw/zinc/56/47/58/1336564758.db2.gz XQZRBUXZFABCIA-FUHWJXTLSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc(Cl)o3)C2)s1 ZINC001006750220 1336571238 /nfs/dbraw/zinc/57/12/38/1336571238.db2.gz JZDHVYRKFNOGDZ-LLVKDONJSA-N 1 2 349.843 3.261 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(Cl)o3)C2)s1 ZINC001006750220 1336571239 /nfs/dbraw/zinc/57/12/39/1336571239.db2.gz JZDHVYRKFNOGDZ-LLVKDONJSA-N 1 2 349.843 3.261 20 30 EGEDLO C[C@H](C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)C1CC1 ZINC001007030668 1336628691 /nfs/dbraw/zinc/62/86/91/1336628691.db2.gz SCGWDPXJAFSOPK-KXBFYZLASA-N 1 2 344.886 3.318 20 30 EGEDLO C[C@H](C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)C1CC1 ZINC001007030668 1336628694 /nfs/dbraw/zinc/62/86/94/1336628694.db2.gz SCGWDPXJAFSOPK-KXBFYZLASA-N 1 2 344.886 3.318 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001007083317 1336640423 /nfs/dbraw/zinc/64/04/23/1336640423.db2.gz IVYIQOGALGWFTG-GOSISDBHSA-N 1 2 341.430 3.436 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001007083317 1336640425 /nfs/dbraw/zinc/64/04/25/1336640425.db2.gz IVYIQOGALGWFTG-GOSISDBHSA-N 1 2 341.430 3.436 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1)C1CCC1 ZINC001007597708 1336675094 /nfs/dbraw/zinc/67/50/94/1336675094.db2.gz SMPVWONHWFBDFI-RDTXWAMCSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1)C1CCC1 ZINC001007597708 1336675097 /nfs/dbraw/zinc/67/50/97/1336675097.db2.gz SMPVWONHWFBDFI-RDTXWAMCSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(N3CC=CC3)cc2)C1 ZINC001008518369 1336875097 /nfs/dbraw/zinc/87/50/97/1336875097.db2.gz OPQLWVCBDJLLOF-KRWDZBQOSA-N 1 2 345.874 3.010 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc(N3CC=CC3)cc2)C1 ZINC001008518369 1336875099 /nfs/dbraw/zinc/87/50/99/1336875099.db2.gz OPQLWVCBDJLLOF-KRWDZBQOSA-N 1 2 345.874 3.010 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001008576889 1336884817 /nfs/dbraw/zinc/88/48/17/1336884817.db2.gz YSHXKEWYGNJHOV-NZSAHSFTSA-N 1 2 344.886 3.318 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001008576889 1336884818 /nfs/dbraw/zinc/88/48/18/1336884818.db2.gz YSHXKEWYGNJHOV-NZSAHSFTSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1 ZINC001008812586 1336929933 /nfs/dbraw/zinc/92/99/33/1336929933.db2.gz ABPJYEYCMOCVCV-BHYGNILZSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1 ZINC001008812586 1336929936 /nfs/dbraw/zinc/92/99/36/1336929936.db2.gz ABPJYEYCMOCVCV-BHYGNILZSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001009199902 1336985435 /nfs/dbraw/zinc/98/54/35/1336985435.db2.gz DLCIYBURKGBSKF-ZIAGYGMSSA-N 1 2 326.893 3.493 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001009199902 1336985437 /nfs/dbraw/zinc/98/54/37/1336985437.db2.gz DLCIYBURKGBSKF-ZIAGYGMSSA-N 1 2 326.893 3.493 20 30 EGEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3cc(F)ccc3s2)C1 ZINC001009475735 1337028583 /nfs/dbraw/zinc/02/85/83/1337028583.db2.gz KBBLLWAUZRXPGV-HNNXBMFYSA-N 1 2 330.428 3.258 20 30 EGEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cc3cc(F)ccc3s2)C1 ZINC001009475735 1337028584 /nfs/dbraw/zinc/02/85/84/1337028584.db2.gz KBBLLWAUZRXPGV-HNNXBMFYSA-N 1 2 330.428 3.258 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001009591636 1337042755 /nfs/dbraw/zinc/04/27/55/1337042755.db2.gz YXDVKFDPDSFDHJ-OCCSQVGLSA-N 1 2 342.817 3.401 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001009591636 1337042757 /nfs/dbraw/zinc/04/27/57/1337042757.db2.gz YXDVKFDPDSFDHJ-OCCSQVGLSA-N 1 2 342.817 3.401 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001009701934 1337063137 /nfs/dbraw/zinc/06/31/37/1337063137.db2.gz KJTZUZDLTHFSAR-YESZJQIVSA-N 1 2 336.838 3.262 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001009701934 1337063140 /nfs/dbraw/zinc/06/31/40/1337063140.db2.gz KJTZUZDLTHFSAR-YESZJQIVSA-N 1 2 336.838 3.262 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)co1 ZINC001010760787 1337254400 /nfs/dbraw/zinc/25/44/00/1337254400.db2.gz RMJNTLUEPSCYAM-SFHVURJKSA-N 1 2 342.826 3.097 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)co1 ZINC001010760787 1337254401 /nfs/dbraw/zinc/25/44/01/1337254401.db2.gz RMJNTLUEPSCYAM-SFHVURJKSA-N 1 2 342.826 3.097 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C1 ZINC001014464426 1337788027 /nfs/dbraw/zinc/78/80/27/1337788027.db2.gz HRBUISLSBMKICU-BBWFWOEESA-N 1 2 332.875 3.369 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C1 ZINC001014464426 1337788029 /nfs/dbraw/zinc/78/80/29/1337788029.db2.gz HRBUISLSBMKICU-BBWFWOEESA-N 1 2 332.875 3.369 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)c2c(F)cccc2F)C1 ZINC001015273959 1338081968 /nfs/dbraw/zinc/08/19/68/1338081968.db2.gz IWCQIQUPIBIXBH-NEPJUHHUSA-N 1 2 328.790 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2c(F)cccc2F)C1 ZINC001015273959 1338081972 /nfs/dbraw/zinc/08/19/72/1338081972.db2.gz IWCQIQUPIBIXBH-NEPJUHHUSA-N 1 2 328.790 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c2cccc3Cl)C1 ZINC001015301254 1338090517 /nfs/dbraw/zinc/09/05/17/1338090517.db2.gz SVBRUKSZCVZOID-IUODEOHRSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c2cccc3Cl)C1 ZINC001015301254 1338090523 /nfs/dbraw/zinc/09/05/23/1338090523.db2.gz SVBRUKSZCVZOID-IUODEOHRSA-N 1 2 339.266 3.313 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001015727845 1338274435 /nfs/dbraw/zinc/27/44/35/1338274435.db2.gz FBSQFASZOABZII-KZNAEPCWSA-N 1 2 343.446 3.070 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001015727845 1338274438 /nfs/dbraw/zinc/27/44/38/1338274438.db2.gz FBSQFASZOABZII-KZNAEPCWSA-N 1 2 343.446 3.070 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C3(F)CCCCC3)C2)cc1F ZINC001015944719 1338370892 /nfs/dbraw/zinc/37/08/92/1338370892.db2.gz OSVLYCWYTWNOCR-MRXNPFEDSA-N 1 2 347.409 3.060 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C3(F)CCCCC3)C2)cc1F ZINC001015944719 1338370896 /nfs/dbraw/zinc/37/08/96/1338370896.db2.gz OSVLYCWYTWNOCR-MRXNPFEDSA-N 1 2 347.409 3.060 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(c3ccccc3F)CCC2)C1 ZINC001015978673 1338389855 /nfs/dbraw/zinc/38/98/55/1338389855.db2.gz LQBALGXUWWGKFB-CQSZACIVSA-N 1 2 336.838 3.190 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(c3ccccc3F)CCC2)C1 ZINC001015978673 1338389857 /nfs/dbraw/zinc/38/98/57/1338389857.db2.gz LQBALGXUWWGKFB-CQSZACIVSA-N 1 2 336.838 3.190 20 30 EGEDLO CC[C@H]1CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC001016043100 1338425762 /nfs/dbraw/zinc/42/57/62/1338425762.db2.gz YECBPZUIODOIBP-ZWOKBUDYSA-N 1 2 339.483 3.465 20 30 EGEDLO CC[C@H]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC001016043100 1338425763 /nfs/dbraw/zinc/42/57/63/1338425763.db2.gz YECBPZUIODOIBP-ZWOKBUDYSA-N 1 2 339.483 3.465 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc3ccccc3n2CC)C1 ZINC001016331517 1338553330 /nfs/dbraw/zinc/55/33/30/1338553330.db2.gz JURMBWNPJLSUHZ-OAHLLOKOSA-N 1 2 331.847 3.218 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc3ccccc3n2CC)C1 ZINC001016331517 1338553333 /nfs/dbraw/zinc/55/33/33/1338553333.db2.gz JURMBWNPJLSUHZ-OAHLLOKOSA-N 1 2 331.847 3.218 20 30 EGEDLO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C23CCC(CC2)C3)cc1 ZINC001017663059 1339386699 /nfs/dbraw/zinc/38/66/99/1339386699.db2.gz BUXYYXXAJMQOAH-MXMNOXSKSA-N 1 2 349.478 3.314 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C23CCC(CC2)C3)cc1 ZINC001017663059 1339386701 /nfs/dbraw/zinc/38/67/01/1339386701.db2.gz BUXYYXXAJMQOAH-MXMNOXSKSA-N 1 2 349.478 3.314 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C2CC2)oc1C1CC1 ZINC001017751489 1339411245 /nfs/dbraw/zinc/41/12/45/1339411245.db2.gz JQAJDXRVSNLHQZ-CALCHBBNSA-N 1 2 338.451 3.347 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C2CC2)oc1C1CC1 ZINC001017751489 1339411248 /nfs/dbraw/zinc/41/12/48/1339411248.db2.gz JQAJDXRVSNLHQZ-CALCHBBNSA-N 1 2 338.451 3.347 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)c2ccccc12 ZINC001017997477 1339478934 /nfs/dbraw/zinc/47/89/34/1339478934.db2.gz CTUFPCSGGRJLAJ-HDICACEKSA-N 1 2 332.447 3.460 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)c2ccccc12 ZINC001017997477 1339478936 /nfs/dbraw/zinc/47/89/36/1339478936.db2.gz CTUFPCSGGRJLAJ-HDICACEKSA-N 1 2 332.447 3.460 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)Cc1cccc(C)c1 ZINC001018032192 1339486861 /nfs/dbraw/zinc/48/68/61/1339486861.db2.gz BRTZPHKRGKQMCU-PCCBWWKXSA-N 1 2 338.495 3.262 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)Cc1cccc(C)c1 ZINC001018032192 1339486862 /nfs/dbraw/zinc/48/68/62/1339486862.db2.gz BRTZPHKRGKQMCU-PCCBWWKXSA-N 1 2 338.495 3.262 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CCC(=C)CC1 ZINC001028114865 1340435876 /nfs/dbraw/zinc/43/58/76/1340435876.db2.gz RCLKHXGUQHUOPH-OAHLLOKOSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)C1CCC(=C)CC1 ZINC001028114865 1340435879 /nfs/dbraw/zinc/43/58/79/1340435879.db2.gz RCLKHXGUQHUOPH-OAHLLOKOSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ncc(C3CC3)o2)CC1 ZINC001028115054 1340436977 /nfs/dbraw/zinc/43/69/77/1340436977.db2.gz WAKFDILSXDMZDM-QGZVFWFLSA-N 1 2 343.471 3.379 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@H+]2Cc2ncc(C3CC3)o2)CC1 ZINC001028115054 1340436978 /nfs/dbraw/zinc/43/69/78/1340436978.db2.gz WAKFDILSXDMZDM-QGZVFWFLSA-N 1 2 343.471 3.379 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@H+]2[C@H](C)c2ncc(C)o2)CC1 ZINC001028117676 1340438201 /nfs/dbraw/zinc/43/82/01/1340438201.db2.gz RQTHUAHVROJBRT-NVXWUHKLSA-N 1 2 331.460 3.371 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+]2[C@H](C)c2ncc(C)o2)CC1 ZINC001028117676 1340438203 /nfs/dbraw/zinc/43/82/03/1340438203.db2.gz RQTHUAHVROJBRT-NVXWUHKLSA-N 1 2 331.460 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC001028155205 1340456024 /nfs/dbraw/zinc/45/60/24/1340456024.db2.gz ZLGVQXXOLOBEFT-LLVKDONJSA-N 1 2 332.753 3.051 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC001028155205 1340456025 /nfs/dbraw/zinc/45/60/25/1340456025.db2.gz ZLGVQXXOLOBEFT-LLVKDONJSA-N 1 2 332.753 3.051 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc([C@H](C)CC)no1 ZINC001028187136 1340475375 /nfs/dbraw/zinc/47/53/75/1340475375.db2.gz CVVGOKXICLIMLY-DGCLKSJQSA-N 1 2 325.840 3.135 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([C@H](C)CC)no1 ZINC001028187136 1340475377 /nfs/dbraw/zinc/47/53/77/1340475377.db2.gz CVVGOKXICLIMLY-DGCLKSJQSA-N 1 2 325.840 3.135 20 30 EGEDLO O=C(c1ccccc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029194234 1340952410 /nfs/dbraw/zinc/95/24/10/1340952410.db2.gz YIJHLOZHUBPBNB-OYRHEFFESA-N 1 2 330.431 3.027 20 30 EGEDLO O=C(c1ccccc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029194234 1340952411 /nfs/dbraw/zinc/95/24/11/1340952411.db2.gz YIJHLOZHUBPBNB-OYRHEFFESA-N 1 2 330.431 3.027 20 30 EGEDLO C[C@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029197743 1340952931 /nfs/dbraw/zinc/95/29/31/1340952931.db2.gz FBUPAMHOJAOUEV-FZDIXFNVSA-N 1 2 342.870 3.023 20 30 EGEDLO C[C@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029197743 1340952936 /nfs/dbraw/zinc/95/29/36/1340952936.db2.gz FBUPAMHOJAOUEV-FZDIXFNVSA-N 1 2 342.870 3.023 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1F ZINC001029499328 1341001281 /nfs/dbraw/zinc/00/12/81/1341001281.db2.gz GGQMSXIKHSVZKJ-OLMNPRSZSA-N 1 2 343.446 3.165 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1F ZINC001029499328 1341001282 /nfs/dbraw/zinc/00/12/82/1341001282.db2.gz GGQMSXIKHSVZKJ-OLMNPRSZSA-N 1 2 343.446 3.165 20 30 EGEDLO C=CC[N@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)c2cnc(C)[nH]2)C1 ZINC001029917810 1341118220 /nfs/dbraw/zinc/11/82/20/1341118220.db2.gz QANMWNZNWNOUQC-SFHVURJKSA-N 1 2 338.455 3.011 20 30 EGEDLO C=CC[N@@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)c2cnc(C)[nH]2)C1 ZINC001029917810 1341118221 /nfs/dbraw/zinc/11/82/21/1341118221.db2.gz QANMWNZNWNOUQC-SFHVURJKSA-N 1 2 338.455 3.011 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccncc2Cl)CC[C@@H]1C ZINC001071845193 1354976456 /nfs/dbraw/zinc/97/64/56/1354976456.db2.gz YIJJBDDZXMCSMD-RYUDHWBXSA-N 1 2 328.243 3.070 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccncc2Cl)CC[C@@H]1C ZINC001071845193 1354976461 /nfs/dbraw/zinc/97/64/61/1354976461.db2.gz YIJJBDDZXMCSMD-RYUDHWBXSA-N 1 2 328.243 3.070 20 30 EGEDLO N#Cc1cc(C(=O)NC2C[NH+](Cc3ccc(C4CCCC4)cc3)C2)c[nH]1 ZINC001030234964 1341173400 /nfs/dbraw/zinc/17/34/00/1341173400.db2.gz LHEJBWPKSBBKTN-UHFFFAOYSA-N 1 2 348.450 3.158 20 30 EGEDLO C#Cc1ccc(C(=O)NC2C[NH+](Cc3ccc(CCC)cc3)C2)cc1 ZINC001030776505 1341223663 /nfs/dbraw/zinc/22/36/63/1341223663.db2.gz MFKGTOGQJZOQDA-UHFFFAOYSA-N 1 2 332.447 3.235 20 30 EGEDLO C=C1CCC(C(=O)NC2C[NH+](Cc3ccc4ncccc4c3)C2)CC1 ZINC001030899425 1341245774 /nfs/dbraw/zinc/24/57/74/1341245774.db2.gz CXVWDAWHMNOBPA-UHFFFAOYSA-N 1 2 335.451 3.282 20 30 EGEDLO C=C1CCC(C(=O)NC2C[NH+](CCO[C@@H]3CCCC[C@H]3C)C2)CC1 ZINC001030903707 1341246633 /nfs/dbraw/zinc/24/66/33/1341246633.db2.gz RTYXUENORQHKML-VQIMIIECSA-N 1 2 334.504 3.129 20 30 EGEDLO C=C1CCC(C(=O)NC2C[NH+](CCO[C@@H]3CCCC[C@@H]3C)C2)CC1 ZINC001030903706 1341246677 /nfs/dbraw/zinc/24/66/77/1341246677.db2.gz RTYXUENORQHKML-QFBILLFUSA-N 1 2 334.504 3.129 20 30 EGEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)C2CCCCCC2)C1 ZINC001031575706 1341371372 /nfs/dbraw/zinc/37/13/72/1341371372.db2.gz FJXRTMNPVYXIDG-UHFFFAOYSA-N 1 2 325.456 3.077 20 30 EGEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)C3=CCCCCC3)C2)c1 ZINC001031630992 1341378072 /nfs/dbraw/zinc/37/80/72/1341378072.db2.gz CHAWJSQHMKFNCC-UHFFFAOYSA-N 1 2 341.430 3.136 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc(C3CC3)[nH]c2C2CC2)C1 ZINC001031767655 1341399230 /nfs/dbraw/zinc/39/92/30/1341399230.db2.gz KIIIBSBVLXTQMH-UHFFFAOYSA-N 1 2 333.863 3.184 20 30 EGEDLO CCC[C@@H]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031795666 1341402856 /nfs/dbraw/zinc/40/28/56/1341402856.db2.gz VUMZSFIQUWTZBR-XLIONFOSSA-N 1 2 339.483 3.323 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001031801610 1341403807 /nfs/dbraw/zinc/40/38/07/1341403807.db2.gz CWSWTOFWKFLNRW-CHWSQXEVSA-N 1 2 338.801 3.156 20 30 EGEDLO CC(C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1)=C1CCCC1 ZINC001032348634 1341500255 /nfs/dbraw/zinc/50/02/55/1341500255.db2.gz NBZMTRAXEKJIEZ-SFTDATJTSA-N 1 2 334.463 3.214 20 30 EGEDLO CC(C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1)=C1CCCC1 ZINC001032348634 1341500257 /nfs/dbraw/zinc/50/02/57/1341500257.db2.gz NBZMTRAXEKJIEZ-SFTDATJTSA-N 1 2 334.463 3.214 20 30 EGEDLO Cc1oc(C)c(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)c1C ZINC001032508173 1341526405 /nfs/dbraw/zinc/52/64/05/1341526405.db2.gz XVDJJWRHKVJIGA-OALUTQOASA-N 1 2 349.434 3.175 20 30 EGEDLO Cc1oc(C)c(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)c1C ZINC001032508173 1341526407 /nfs/dbraw/zinc/52/64/07/1341526407.db2.gz XVDJJWRHKVJIGA-OALUTQOASA-N 1 2 349.434 3.175 20 30 EGEDLO CCCc1occc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032732588 1341593832 /nfs/dbraw/zinc/59/38/32/1341593832.db2.gz IJJJDHMEJKTEEV-ROUUACIJSA-N 1 2 349.434 3.203 20 30 EGEDLO CCCc1occc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032732588 1341593835 /nfs/dbraw/zinc/59/38/35/1341593835.db2.gz IJJJDHMEJKTEEV-ROUUACIJSA-N 1 2 349.434 3.203 20 30 EGEDLO CN(C(=O)c1cccs1)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001032877123 1341647091 /nfs/dbraw/zinc/64/70/91/1341647091.db2.gz SNNLKIZGQFHUHP-GFCCVEGCSA-N 1 2 331.466 3.028 20 30 EGEDLO CN(C(=O)c1cccs1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001032877123 1341647092 /nfs/dbraw/zinc/64/70/92/1341647092.db2.gz SNNLKIZGQFHUHP-GFCCVEGCSA-N 1 2 331.466 3.028 20 30 EGEDLO Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)s1 ZINC001032884242 1341650694 /nfs/dbraw/zinc/65/06/94/1341650694.db2.gz LSLVPTJKUSTISO-SFHVURJKSA-N 1 2 338.476 3.255 20 30 EGEDLO Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)s1 ZINC001032884242 1341650696 /nfs/dbraw/zinc/65/06/96/1341650696.db2.gz LSLVPTJKUSTISO-SFHVURJKSA-N 1 2 338.476 3.255 20 30 EGEDLO CN(C(=O)c1ccsc1)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032887980 1341652405 /nfs/dbraw/zinc/65/24/05/1341652405.db2.gz IQJVZCIVSKYFFI-MRXNPFEDSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C(=O)c1ccsc1)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032887980 1341652406 /nfs/dbraw/zinc/65/24/06/1341652406.db2.gz IQJVZCIVSKYFFI-MRXNPFEDSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C(=O)c1ccsc1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032887979 1341652411 /nfs/dbraw/zinc/65/24/11/1341652411.db2.gz IQJVZCIVSKYFFI-INIZCTEOSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C(=O)c1ccsc1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032887979 1341652412 /nfs/dbraw/zinc/65/24/12/1341652412.db2.gz IQJVZCIVSKYFFI-INIZCTEOSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C(=O)c1ccc(Cl)o1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001032912831 1341663684 /nfs/dbraw/zinc/66/36/84/1341663684.db2.gz IUVRHDQDEOGSSW-OAHLLOKOSA-N 1 2 343.814 3.151 20 30 EGEDLO CN(C(=O)c1ccc(Cl)o1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001032912831 1341663685 /nfs/dbraw/zinc/66/36/85/1341663685.db2.gz IUVRHDQDEOGSSW-OAHLLOKOSA-N 1 2 343.814 3.151 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C2CCCCCC2)C1 ZINC001032952436 1341675124 /nfs/dbraw/zinc/67/51/24/1341675124.db2.gz LQMAZXIWSDCADS-HNNXBMFYSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C2CCCCCC2)C1 ZINC001032952436 1341675126 /nfs/dbraw/zinc/67/51/26/1341675126.db2.gz LQMAZXIWSDCADS-HNNXBMFYSA-N 1 2 343.309 3.398 20 30 EGEDLO CN(C(=O)C(F)=C1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033003711 1341693329 /nfs/dbraw/zinc/69/33/29/1341693329.db2.gz GJSBGXUGXADOCY-SFHVURJKSA-N 1 2 341.430 3.389 20 30 EGEDLO CN(C(=O)C(F)=C1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033003711 1341693330 /nfs/dbraw/zinc/69/33/30/1341693330.db2.gz GJSBGXUGXADOCY-SFHVURJKSA-N 1 2 341.430 3.389 20 30 EGEDLO CN(C(=O)c1sccc1F)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033058894 1341711261 /nfs/dbraw/zinc/71/12/61/1341711261.db2.gz SOAYYWDBLCURSZ-MRXNPFEDSA-N 1 2 342.439 3.085 20 30 EGEDLO CN(C(=O)c1sccc1F)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033058894 1341711262 /nfs/dbraw/zinc/71/12/62/1341711262.db2.gz SOAYYWDBLCURSZ-MRXNPFEDSA-N 1 2 342.439 3.085 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc3c2CCCC3)C1 ZINC001033106590 1341726668 /nfs/dbraw/zinc/72/66/68/1341726668.db2.gz OAZGYEGCUHSBDR-MRXNPFEDSA-N 1 2 332.875 3.464 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3c2CCCC3)C1 ZINC001033106590 1341726669 /nfs/dbraw/zinc/72/66/69/1341726669.db2.gz OAZGYEGCUHSBDR-MRXNPFEDSA-N 1 2 332.875 3.464 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3ccc(OC)cc32)C1 ZINC001033149368 1341740050 /nfs/dbraw/zinc/74/00/50/1341740050.db2.gz SPULSIRHQUNETI-WBVHZDCISA-N 1 2 348.874 3.010 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3ccc(OC)cc32)C1 ZINC001033149368 1341740051 /nfs/dbraw/zinc/74/00/51/1341740051.db2.gz SPULSIRHQUNETI-WBVHZDCISA-N 1 2 348.874 3.010 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001033270156 1341764710 /nfs/dbraw/zinc/76/47/10/1341764710.db2.gz YQRDGQDSEAMQCY-WBVHZDCISA-N 1 2 336.838 3.141 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001033270156 1341764712 /nfs/dbraw/zinc/76/47/12/1341764712.db2.gz YQRDGQDSEAMQCY-WBVHZDCISA-N 1 2 336.838 3.141 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3ncccc3c2)C1 ZINC001033379517 1341803650 /nfs/dbraw/zinc/80/36/50/1341803650.db2.gz VYUXCNACZQOJDH-INIZCTEOSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3ncccc3c2)C1 ZINC001033379517 1341803651 /nfs/dbraw/zinc/80/36/51/1341803651.db2.gz VYUXCNACZQOJDH-INIZCTEOSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH]c3cccc(C)c23)C1 ZINC001033597709 1341889850 /nfs/dbraw/zinc/88/98/50/1341889850.db2.gz UTJLYNBHIXXDNU-INIZCTEOSA-N 1 2 345.874 3.304 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH]c3cccc(C)c23)C1 ZINC001033597709 1341889851 /nfs/dbraw/zinc/88/98/51/1341889851.db2.gz UTJLYNBHIXXDNU-INIZCTEOSA-N 1 2 345.874 3.304 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(OC(C)C)cc2)C1 ZINC001033634272 1341916718 /nfs/dbraw/zinc/91/67/18/1341916718.db2.gz KUUKJOWYJNJHNI-MRXNPFEDSA-N 1 2 336.863 3.373 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(OC(C)C)cc2)C1 ZINC001033634272 1341916722 /nfs/dbraw/zinc/91/67/22/1341916722.db2.gz KUUKJOWYJNJHNI-MRXNPFEDSA-N 1 2 336.863 3.373 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)C2CCCCC2)C1 ZINC001033736215 1341986447 /nfs/dbraw/zinc/98/64/47/1341986447.db2.gz JWPPTRCJDLPIOE-OAHLLOKOSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)C2CCCCC2)C1 ZINC001033736215 1341986448 /nfs/dbraw/zinc/98/64/48/1341986448.db2.gz JWPPTRCJDLPIOE-OAHLLOKOSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3c(c2)CCOC3)C1 ZINC001033899876 1342071623 /nfs/dbraw/zinc/07/16/23/1342071623.db2.gz IRIIPHXJXUZWFS-SFHVURJKSA-N 1 2 348.874 3.048 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3c(c2)CCOC3)C1 ZINC001033899876 1342071628 /nfs/dbraw/zinc/07/16/28/1342071628.db2.gz IRIIPHXJXUZWFS-SFHVURJKSA-N 1 2 348.874 3.048 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](Cc3cc(C)on3)C2)CC1 ZINC001033944001 1342105033 /nfs/dbraw/zinc/10/50/33/1342105033.db2.gz CTNQTJJGJRSXAH-GOSISDBHSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](Cc3cc(C)on3)C2)CC1 ZINC001033944001 1342105035 /nfs/dbraw/zinc/10/50/35/1342105035.db2.gz CTNQTJJGJRSXAH-GOSISDBHSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc(OC)c2F)C1 ZINC001033997592 1342137883 /nfs/dbraw/zinc/13/78/83/1342137883.db2.gz CSMMMYSQZOJWNT-CYBMUJFWSA-N 1 2 340.826 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(OC)c2F)C1 ZINC001033997592 1342137884 /nfs/dbraw/zinc/13/78/84/1342137884.db2.gz CSMMMYSQZOJWNT-CYBMUJFWSA-N 1 2 340.826 3.123 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(F)cc(F)c2)C1 ZINC001034040097 1342180291 /nfs/dbraw/zinc/18/02/91/1342180291.db2.gz RLODSJNZGWKNDV-OAHLLOKOSA-N 1 2 328.790 3.254 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(F)cc(F)c2)C1 ZINC001034040097 1342180293 /nfs/dbraw/zinc/18/02/93/1342180293.db2.gz RLODSJNZGWKNDV-OAHLLOKOSA-N 1 2 328.790 3.254 20 30 EGEDLO CC1(C)C[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001034168280 1342292550 /nfs/dbraw/zinc/29/25/50/1342292550.db2.gz SMUQCPYUKSHGHS-MSOLQXFVSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)C[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001034168280 1342292553 /nfs/dbraw/zinc/29/25/53/1342292553.db2.gz SMUQCPYUKSHGHS-MSOLQXFVSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2coc(C(C)(C)C)n2)C1 ZINC001034202693 1342313007 /nfs/dbraw/zinc/31/30/07/1342313007.db2.gz ASINOVIKYWWWFP-ZDUSSCGKSA-N 1 2 339.867 3.309 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2coc(C(C)(C)C)n2)C1 ZINC001034202693 1342313009 /nfs/dbraw/zinc/31/30/09/1342313009.db2.gz ASINOVIKYWWWFP-ZDUSSCGKSA-N 1 2 339.867 3.309 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2conc2C(C)C)C1 ZINC001034242532 1342342246 /nfs/dbraw/zinc/34/22/46/1342342246.db2.gz YPFFXXBIGQNUDN-ZDUSSCGKSA-N 1 2 325.840 3.135 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2conc2C(C)C)C1 ZINC001034242532 1342342250 /nfs/dbraw/zinc/34/22/50/1342342250.db2.gz YPFFXXBIGQNUDN-ZDUSSCGKSA-N 1 2 325.840 3.135 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001034278960 1342369371 /nfs/dbraw/zinc/36/93/71/1342369371.db2.gz HHCXCBIJWOZGRJ-ZDUSSCGKSA-N 1 2 347.272 3.148 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001034278960 1342369373 /nfs/dbraw/zinc/36/93/73/1342369373.db2.gz HHCXCBIJWOZGRJ-ZDUSSCGKSA-N 1 2 347.272 3.148 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc3c(cn2)CCCC3)C1 ZINC001034300889 1342383621 /nfs/dbraw/zinc/38/36/21/1342383621.db2.gz ODUBBZKKGJQINE-QGZVFWFLSA-N 1 2 347.890 3.297 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cc3c(cn2)CCCC3)C1 ZINC001034300889 1342383623 /nfs/dbraw/zinc/38/36/23/1342383623.db2.gz ODUBBZKKGJQINE-QGZVFWFLSA-N 1 2 347.890 3.297 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2sc(C)cc2OC)C1 ZINC001034434976 1342497234 /nfs/dbraw/zinc/49/72/34/1342497234.db2.gz QQACXGZRZJULAK-ZDUSSCGKSA-N 1 2 342.892 3.402 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2sc(C)cc2OC)C1 ZINC001034434976 1342497237 /nfs/dbraw/zinc/49/72/37/1342497237.db2.gz QQACXGZRZJULAK-ZDUSSCGKSA-N 1 2 342.892 3.402 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cc3nc(C)ccc3o2)C1 ZINC001034497842 1342554013 /nfs/dbraw/zinc/55/40/13/1342554013.db2.gz HFEOXJYPEXNPTR-AWEZNQCLSA-N 1 2 347.846 3.473 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cc3nc(C)ccc3o2)C1 ZINC001034497842 1342554014 /nfs/dbraw/zinc/55/40/14/1342554014.db2.gz HFEOXJYPEXNPTR-AWEZNQCLSA-N 1 2 347.846 3.473 20 30 EGEDLO C[C@@H](C#N)C(=O)N1CCC2(C[NH+](Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC001035672582 1343131453 /nfs/dbraw/zinc/13/14/53/1343131453.db2.gz IZRKBBWBHVOGPW-ZDUSSCGKSA-N 1 2 349.837 3.063 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccn3c1CCCC3)CC2 ZINC001035722418 1343152936 /nfs/dbraw/zinc/15/29/36/1343152936.db2.gz SUZMKTPRHBEFKJ-UHFFFAOYSA-N 1 2 347.890 3.115 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC(F)(F)C1)CC2 ZINC001035723447 1343153371 /nfs/dbraw/zinc/15/33/71/1343153371.db2.gz VJSXMIXIWCPXLB-ZDUSSCGKSA-N 1 2 332.822 3.099 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC2(C[NH+](Cc3nc(C)cs3)C2)CC1 ZINC001035768697 1343180802 /nfs/dbraw/zinc/18/08/02/1343180802.db2.gz LREYLXGBWCOTCP-UHFFFAOYSA-N 1 2 333.501 3.088 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1Cc3ccccc31)CC2 ZINC001035778705 1343190330 /nfs/dbraw/zinc/19/03/30/1343190330.db2.gz GLCVMXKUZOXUAI-QGZVFWFLSA-N 1 2 330.859 3.003 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cnoc1C(C)C)CC2 ZINC001035831718 1343219840 /nfs/dbraw/zinc/21/98/40/1343219840.db2.gz PXHOQECBXVXLTF-UHFFFAOYSA-N 1 2 337.851 3.089 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccc(F)cc1C)CC2 ZINC001035840991 1343223235 /nfs/dbraw/zinc/22/32/35/1343223235.db2.gz HWBPVHGHJJFBGU-UHFFFAOYSA-N 1 2 336.838 3.425 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C1(c3ccccc3)CC1)CC2 ZINC001035846852 1343227570 /nfs/dbraw/zinc/22/75/70/1343227570.db2.gz YLWNZIIEHDDURK-UHFFFAOYSA-N 1 2 344.886 3.395 20 30 EGEDLO Cc1cccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)c1F ZINC001038276482 1344352557 /nfs/dbraw/zinc/35/25/57/1344352557.db2.gz OGYVNHOLVQSQED-QGZVFWFLSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cccc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)c1F ZINC001038276482 1344352561 /nfs/dbraw/zinc/35/25/61/1344352561.db2.gz OGYVNHOLVQSQED-QGZVFWFLSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cc(C)c(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)s1 ZINC001038300491 1344369925 /nfs/dbraw/zinc/36/99/25/1344369925.db2.gz MMCYMOZNECTMQB-KRWDZBQOSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1cc(C)c(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)s1 ZINC001038300491 1344369928 /nfs/dbraw/zinc/36/99/28/1344369928.db2.gz MMCYMOZNECTMQB-KRWDZBQOSA-N 1 2 339.464 3.241 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(Cl)c1 ZINC001038353680 1344394229 /nfs/dbraw/zinc/39/42/29/1344394229.db2.gz OHEOVUHJFGRIDU-QGZVFWFLSA-N 1 2 343.858 3.332 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(Cl)c1 ZINC001038353680 1344394234 /nfs/dbraw/zinc/39/42/34/1344394234.db2.gz OHEOVUHJFGRIDU-QGZVFWFLSA-N 1 2 343.858 3.332 20 30 EGEDLO CCCc1ccccc1C(=O)NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001038500206 1344454675 /nfs/dbraw/zinc/45/46/75/1344454675.db2.gz FGDKWPLISSLWPO-OAQYLSRUSA-N 1 2 346.474 3.495 20 30 EGEDLO CCCc1ccccc1C(=O)NC[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001038500206 1344454676 /nfs/dbraw/zinc/45/46/76/1344454676.db2.gz FGDKWPLISSLWPO-OAQYLSRUSA-N 1 2 346.474 3.495 20 30 EGEDLO Cc1c(C(=O)NC[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)ccn1C(C)C ZINC001038621579 1344508023 /nfs/dbraw/zinc/50/80/23/1344508023.db2.gz NKXXDAXEFMNGLE-FQEVSTJZSA-N 1 2 349.478 3.233 20 30 EGEDLO Cc1c(C(=O)NC[C@@H]2CC[N@H+]2CC#Cc2ccccc2)ccn1C(C)C ZINC001038621579 1344508024 /nfs/dbraw/zinc/50/80/24/1344508024.db2.gz NKXXDAXEFMNGLE-FQEVSTJZSA-N 1 2 349.478 3.233 20 30 EGEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1C[C@@H]1c1ccccc1 ZINC001038784888 1344583690 /nfs/dbraw/zinc/58/36/90/1344583690.db2.gz AZFIUAVUPHWHLJ-VSKRKVRLSA-N 1 2 344.458 3.032 20 30 EGEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1C[C@@H]1c1ccccc1 ZINC001038784888 1344583692 /nfs/dbraw/zinc/58/36/92/1344583692.db2.gz AZFIUAVUPHWHLJ-VSKRKVRLSA-N 1 2 344.458 3.032 20 30 EGEDLO CCc1oc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)cc1C ZINC001038913848 1344649709 /nfs/dbraw/zinc/64/97/09/1344649709.db2.gz XRFXHKOTWJKALV-QGZVFWFLSA-N 1 2 337.423 3.026 20 30 EGEDLO CCc1oc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)cc1C ZINC001038913848 1344649713 /nfs/dbraw/zinc/64/97/13/1344649713.db2.gz XRFXHKOTWJKALV-QGZVFWFLSA-N 1 2 337.423 3.026 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccc(Cl)cc2)c1 ZINC001038955850 1344679699 /nfs/dbraw/zinc/67/96/99/1344679699.db2.gz ZVFXZNVNWWSCSP-GOSISDBHSA-N 1 2 339.826 3.216 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccc(Cl)cc2)c1 ZINC001038955850 1344679702 /nfs/dbraw/zinc/67/97/02/1344679702.db2.gz ZVFXZNVNWWSCSP-GOSISDBHSA-N 1 2 339.826 3.216 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccnn1C1CCC1 ZINC001039376549 1345033672 /nfs/dbraw/zinc/03/36/72/1345033672.db2.gz ZPMYPRNOLKSDBD-ZBFHGGJFSA-N 1 2 348.878 3.040 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccnn1C1CCC1 ZINC001039376549 1345033674 /nfs/dbraw/zinc/03/36/74/1345033674.db2.gz ZPMYPRNOLKSDBD-ZBFHGGJFSA-N 1 2 348.878 3.040 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)c1ccncc1 ZINC001039394361 1345043168 /nfs/dbraw/zinc/04/31/68/1345043168.db2.gz WTTAROCFZDDXBR-OLMNPRSZSA-N 1 2 347.890 3.393 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)c1ccncc1 ZINC001039394361 1345043169 /nfs/dbraw/zinc/04/31/69/1345043169.db2.gz WTTAROCFZDDXBR-OLMNPRSZSA-N 1 2 347.890 3.393 20 30 EGEDLO C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1)C1CC1 ZINC001039540238 1345135505 /nfs/dbraw/zinc/13/55/05/1345135505.db2.gz UYYDNFGZARYTSC-YSGRDPCXSA-N 1 2 337.467 3.170 20 30 EGEDLO C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1)C1CC1 ZINC001039540238 1345135507 /nfs/dbraw/zinc/13/55/07/1345135507.db2.gz UYYDNFGZARYTSC-YSGRDPCXSA-N 1 2 337.467 3.170 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cnccc1C ZINC001039826863 1345200768 /nfs/dbraw/zinc/20/07/68/1345200768.db2.gz FPTXFZDGGOMPTJ-HDICACEKSA-N 1 2 327.472 3.168 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cnccc1C ZINC001039826863 1345200771 /nfs/dbraw/zinc/20/07/71/1345200771.db2.gz FPTXFZDGGOMPTJ-HDICACEKSA-N 1 2 327.472 3.168 20 30 EGEDLO 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ZINC001049700583 1347979865 /nfs/dbraw/zinc/97/98/65/1347979865.db2.gz XJLHRNKYFBMNCA-YQVWRLOYSA-N 1 2 331.460 3.151 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1coc(CCC)n1 ZINC001049841756 1348052886 /nfs/dbraw/zinc/05/28/86/1348052886.db2.gz UPFNOSAUTZUSMV-CABCVRRESA-N 1 2 337.851 3.059 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1coc(CCC)n1 ZINC001049841756 1348052889 /nfs/dbraw/zinc/05/28/89/1348052889.db2.gz UPFNOSAUTZUSMV-CABCVRRESA-N 1 2 337.851 3.059 20 30 EGEDLO Cc1cc(N[C@@H]2CCCCCN(C(=O)[C@@H](C)C#N)C2)nc(C(C)C)[nH+]1 ZINC001049857708 1348065197 /nfs/dbraw/zinc/06/51/97/1348065197.db2.gz JVNAJDBQGKVXML-GOEBONIOSA-N 1 2 343.475 3.251 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(C(C)(C)C)oc1C ZINC001051135540 1348396929 /nfs/dbraw/zinc/39/69/29/1348396929.db2.gz OKDYZEYCSOEBRZ-MRXNPFEDSA-N 1 2 348.487 3.282 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C(C)(C)C)oc1C ZINC001051135540 1348396932 /nfs/dbraw/zinc/39/69/32/1348396932.db2.gz OKDYZEYCSOEBRZ-MRXNPFEDSA-N 1 2 348.487 3.282 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C(C)C)oc1C ZINC001051187529 1348400733 /nfs/dbraw/zinc/40/07/33/1348400733.db2.gz YNHNUFTZLYNACP-MRXNPFEDSA-N 1 2 334.460 3.108 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(C(C)C)oc1C ZINC001051187529 1348400734 /nfs/dbraw/zinc/40/07/34/1348400734.db2.gz YNHNUFTZLYNACP-MRXNPFEDSA-N 1 2 334.460 3.108 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)[C@@H]3C[C@H]3CC)cccc2C1 ZINC001051299731 1348425102 /nfs/dbraw/zinc/42/51/02/1348425102.db2.gz BKYIHBSVFJHZPD-RDTXWAMCSA-N 1 2 332.875 3.460 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)[C@@H]3C[C@H]3CC)cccc2C1 ZINC001051299731 1348425103 /nfs/dbraw/zinc/42/51/03/1348425103.db2.gz BKYIHBSVFJHZPD-RDTXWAMCSA-N 1 2 332.875 3.460 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nccc3ccsc32)C1 ZINC001079890852 1357414944 /nfs/dbraw/zinc/41/49/44/1357414944.db2.gz OMSPIYCOPKIZNN-ZWNOBZJWSA-N 1 2 335.860 3.099 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nccc3ccsc32)C1 ZINC001079890852 1357414945 /nfs/dbraw/zinc/41/49/45/1357414945.db2.gz OMSPIYCOPKIZNN-ZWNOBZJWSA-N 1 2 335.860 3.099 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCOC3(C[NH+]([C@@H](C)c4ccccc4)C3)C2)C1 ZINC001053417825 1349027157 /nfs/dbraw/zinc/02/71/57/1349027157.db2.gz FTAYVYXGUFOBGS-KRWDZBQOSA-N 1 2 340.467 3.017 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@H](C)C1CCCCC1)CCO2 ZINC001053468971 1349038838 /nfs/dbraw/zinc/03/88/38/1349038838.db2.gz FLMYLBBONWHXNS-KRWDZBQOSA-N 1 2 334.504 3.082 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccccc1CCC)O2 ZINC001053630248 1349081195 /nfs/dbraw/zinc/08/11/95/1349081195.db2.gz IYQSIZHJGLSKGA-GOSISDBHSA-N 1 2 342.483 3.178 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c(C)cccc1Cl)O2 ZINC001053657010 1349087335 /nfs/dbraw/zinc/08/73/35/1349087335.db2.gz DXCRDEMPWWIUFG-HNNXBMFYSA-N 1 2 348.874 3.188 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(CC)c(C)s1)O2 ZINC001053695325 1349095884 /nfs/dbraw/zinc/09/58/84/1349095884.db2.gz DKQRECZKPGWRCX-MRXNPFEDSA-N 1 2 348.512 3.158 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc3sccc3s1)CO2 ZINC001053847145 1349116949 /nfs/dbraw/zinc/11/69/49/1349116949.db2.gz ZXAYKCGQMGVFOG-GFCCVEGCSA-N 1 2 348.493 3.112 20 30 EGEDLO CC(=O)NCc1ccc2c(c1)C[N@@H+](CC#Cc1cccc(Cl)c1)C2 ZINC001054250838 1349246243 /nfs/dbraw/zinc/24/62/43/1349246243.db2.gz HBFUKAUQCGLYPJ-UHFFFAOYSA-N 1 2 338.838 3.343 20 30 EGEDLO CC(=O)NCc1ccc2c(c1)C[N@H+](CC#Cc1cccc(Cl)c1)C2 ZINC001054250838 1349246245 /nfs/dbraw/zinc/24/62/45/1349246245.db2.gz HBFUKAUQCGLYPJ-UHFFFAOYSA-N 1 2 338.838 3.343 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc(F)cc4ccoc43)cc2C1 ZINC001054271695 1349271283 /nfs/dbraw/zinc/27/12/83/1349271283.db2.gz VRYYVWCFDXJBNG-UHFFFAOYSA-N 1 2 348.377 3.451 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc(F)cc4ccoc43)cc2C1 ZINC001054271695 1349271285 /nfs/dbraw/zinc/27/12/85/1349271285.db2.gz VRYYVWCFDXJBNG-UHFFFAOYSA-N 1 2 348.377 3.451 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3c[nH]c4ccccc34)cc2C1 ZINC001054272861 1349271957 /nfs/dbraw/zinc/27/19/57/1349271957.db2.gz IOEHWQXPMWLGCU-UHFFFAOYSA-N 1 2 329.403 3.047 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3c[nH]c4ccccc34)cc2C1 ZINC001054272861 1349271959 /nfs/dbraw/zinc/27/19/59/1349271959.db2.gz IOEHWQXPMWLGCU-UHFFFAOYSA-N 1 2 329.403 3.047 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cccc4cccnc43)cc2C1 ZINC001054273503 1349273086 /nfs/dbraw/zinc/27/30/86/1349273086.db2.gz NDXFBNMOUSRJHG-UHFFFAOYSA-N 1 2 341.414 3.114 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cccc4cccnc43)cc2C1 ZINC001054273503 1349273090 /nfs/dbraw/zinc/27/30/90/1349273090.db2.gz NDXFBNMOUSRJHG-UHFFFAOYSA-N 1 2 341.414 3.114 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc4ccccc4n3)cc2C1 ZINC001054291052 1349296438 /nfs/dbraw/zinc/29/64/38/1349296438.db2.gz RUVAYRGYJFMLSF-UHFFFAOYSA-N 1 2 341.414 3.114 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc4ccccc4n3)cc2C1 ZINC001054291052 1349296441 /nfs/dbraw/zinc/29/64/41/1349296441.db2.gz RUVAYRGYJFMLSF-UHFFFAOYSA-N 1 2 341.414 3.114 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3c[nH]c4ccc(C)cc34)cc2C1 ZINC001054292776 1349298341 /nfs/dbraw/zinc/29/83/41/1349298341.db2.gz SRXQSPOVXCQKCL-UHFFFAOYSA-N 1 2 343.430 3.355 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3c[nH]c4ccc(C)cc34)cc2C1 ZINC001054292776 1349298348 /nfs/dbraw/zinc/29/83/48/1349298348.db2.gz SRXQSPOVXCQKCL-UHFFFAOYSA-N 1 2 343.430 3.355 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([C@@H]2CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001067818820 1353537726 /nfs/dbraw/zinc/53/77/26/1353537726.db2.gz AZCWDPZZRQWTFM-IAGOWNOFSA-N 1 2 342.487 3.062 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001071080586 1354450614 /nfs/dbraw/zinc/45/06/14/1354450614.db2.gz JTBXUUUYUIDZGS-QGZVFWFLSA-N 1 2 343.471 3.084 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)C1(CC)CCC1)C[C@@H](C)O2 ZINC001071198545 1354499780 /nfs/dbraw/zinc/49/97/80/1354499780.db2.gz ADEWDOHWFTUSNJ-CRAIPNDOSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1(CC)CCC1)C[C@@H](C)O2 ZINC001071198545 1354499781 /nfs/dbraw/zinc/49/97/81/1354499781.db2.gz ADEWDOHWFTUSNJ-CRAIPNDOSA-N 1 2 340.895 3.011 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)c2ccco2)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001071312520 1354572381 /nfs/dbraw/zinc/57/23/81/1354572381.db2.gz LSLJMEATHMQJDS-CJNGLKHVSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)c2ccco2)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001071312520 1354572383 /nfs/dbraw/zinc/57/23/83/1354572383.db2.gz LSLJMEATHMQJDS-CJNGLKHVSA-N 1 2 341.386 3.073 20 30 EGEDLO Cc1ccncc1C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001071406376 1354670146 /nfs/dbraw/zinc/67/01/46/1354670146.db2.gz JVVRBCFYRGUIKB-VQIMIIECSA-N 1 2 348.450 3.045 20 30 EGEDLO Cc1ccncc1C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001071406376 1354670151 /nfs/dbraw/zinc/67/01/51/1354670151.db2.gz JVVRBCFYRGUIKB-VQIMIIECSA-N 1 2 348.450 3.045 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cncc(Cl)c2C)CC[C@@H]1C ZINC001071585061 1354779287 /nfs/dbraw/zinc/77/92/87/1354779287.db2.gz VLQSKIDTDPWKGE-WCQYABFASA-N 1 2 342.270 3.379 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cncc(Cl)c2C)CC[C@@H]1C ZINC001071585061 1354779288 /nfs/dbraw/zinc/77/92/88/1354779288.db2.gz VLQSKIDTDPWKGE-WCQYABFASA-N 1 2 342.270 3.379 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccccc2COC)CC[C@@H]1C ZINC001071642313 1354821993 /nfs/dbraw/zinc/82/19/93/1354821993.db2.gz NZOJAUQMSGTKAJ-HOCLYGCPSA-N 1 2 336.863 3.168 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccccc2COC)CC[C@@H]1C ZINC001071642313 1354821997 /nfs/dbraw/zinc/82/19/97/1354821997.db2.gz NZOJAUQMSGTKAJ-HOCLYGCPSA-N 1 2 336.863 3.168 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)cc2C)CC[C@H]1C ZINC001071779579 1354928047 /nfs/dbraw/zinc/92/80/47/1354928047.db2.gz LVHFBXAPNKQZDO-CABCVRRESA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc(OC)cc2C)CC[C@H]1C ZINC001071779579 1354928051 /nfs/dbraw/zinc/92/80/51/1354928051.db2.gz LVHFBXAPNKQZDO-CABCVRRESA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2cccc(F)c2F)CC[C@H]1C ZINC001071852030 1354981540 /nfs/dbraw/zinc/98/15/40/1354981540.db2.gz UHZHQYQBRMWICM-TZMCWYRMSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2cccc(F)c2F)CC[C@H]1C ZINC001071852030 1354981542 /nfs/dbraw/zinc/98/15/42/1354981542.db2.gz UHZHQYQBRMWICM-TZMCWYRMSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc(Cl)cn2)CC[C@@H]1C ZINC001072009311 1355073842 /nfs/dbraw/zinc/07/38/42/1355073842.db2.gz UOXDRTBRWZPBQW-AAEUAGOBSA-N 1 2 328.243 3.070 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc(Cl)cn2)CC[C@@H]1C ZINC001072009311 1355073839 /nfs/dbraw/zinc/07/38/39/1355073839.db2.gz UOXDRTBRWZPBQW-AAEUAGOBSA-N 1 2 328.243 3.070 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cn2ccc3ccccc32)CC[C@H]1C ZINC001072087626 1355120560 /nfs/dbraw/zinc/12/05/60/1355120560.db2.gz ALIHVPFIYRSQBF-WBVHZDCISA-N 1 2 345.874 3.363 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2ccc3ccccc32)CC[C@H]1C ZINC001072087626 1355120563 /nfs/dbraw/zinc/12/05/63/1355120563.db2.gz ALIHVPFIYRSQBF-WBVHZDCISA-N 1 2 345.874 3.363 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2OCC[N@H+](CC3=CCCCC3)[C@H]2C1 ZINC001074314838 1356164941 /nfs/dbraw/zinc/16/49/41/1356164941.db2.gz LOWOZNWXPLYBQQ-RBUKOAKNSA-N 1 2 346.515 3.391 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2OCC[N@@H+](CC3=CCCCC3)[C@H]2C1 ZINC001074314838 1356164943 /nfs/dbraw/zinc/16/49/43/1356164943.db2.gz LOWOZNWXPLYBQQ-RBUKOAKNSA-N 1 2 346.515 3.391 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CC3CCCCCC3)C[C@H]21 ZINC001074342920 1356176386 /nfs/dbraw/zinc/17/63/86/1356176386.db2.gz DQDKLWVTMBCKGB-RTBURBONSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CC3CCCCCC3)C[C@H]21 ZINC001074342920 1356176389 /nfs/dbraw/zinc/17/63/89/1356176389.db2.gz DQDKLWVTMBCKGB-RTBURBONSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)C3CCCCC3)C[C@@H]21 ZINC001074354893 1356180125 /nfs/dbraw/zinc/18/01/25/1356180125.db2.gz XTCYYWYCARMENP-RBUKOAKNSA-N 1 2 348.531 3.471 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)C3CCCCC3)C[C@@H]21 ZINC001074354893 1356180127 /nfs/dbraw/zinc/18/01/27/1356180127.db2.gz XTCYYWYCARMENP-RBUKOAKNSA-N 1 2 348.531 3.471 20 30 EGEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C4CC4)s3)C[C@H]21 ZINC001074382949 1356188926 /nfs/dbraw/zinc/18/89/26/1356188926.db2.gz TUBPESIYKCYYTC-HZPDHXFCSA-N 1 2 346.496 3.117 20 30 EGEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C4CC4)s3)C[C@H]21 ZINC001074382949 1356188927 /nfs/dbraw/zinc/18/89/27/1356188927.db2.gz TUBPESIYKCYYTC-HZPDHXFCSA-N 1 2 346.496 3.117 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C3CCC(C)(C)CC3)C[C@@H]21 ZINC001074415874 1356197344 /nfs/dbraw/zinc/19/73/44/1356197344.db2.gz XWPDHKJQKLGROH-ROUUACIJSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C3CCC(C)(C)CC3)C[C@@H]21 ZINC001074415874 1356197346 /nfs/dbraw/zinc/19/73/46/1356197346.db2.gz XWPDHKJQKLGROH-ROUUACIJSA-N 1 2 334.504 3.081 20 30 EGEDLO Cc1nn(C)c2sc(C(=O)/C=C/c3ccc[nH+]c3N(C)C)cc12 ZINC001323087699 1387285935 /nfs/dbraw/zinc/28/59/35/1387285935.db2.gz MVELVENNOVPEQK-BQYQJAHWSA-N 1 2 326.425 3.300 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4ccn(C)c4c3)[C@@H]2C1 ZINC001076428177 1356576004 /nfs/dbraw/zinc/57/60/04/1356576004.db2.gz HWFMBNJBYTYSON-FUHWJXTLSA-N 1 2 343.858 3.077 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4ccn(C)c4c3)[C@@H]2C1 ZINC001076428177 1356576006 /nfs/dbraw/zinc/57/60/06/1356576006.db2.gz HWFMBNJBYTYSON-FUHWJXTLSA-N 1 2 343.858 3.077 20 30 EGEDLO COC(=O)c1cc(Cl)ccc1C(=O)/C=C/c1ccc[nH+]c1N(C)C ZINC001323086183 1387286026 /nfs/dbraw/zinc/28/60/26/1387286026.db2.gz CGNYCBBRVAPXRP-RMKNXTFCSA-N 1 2 344.798 3.484 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4cccc(F)c4o3)[C@@H]2C1 ZINC001076593623 1356625660 /nfs/dbraw/zinc/62/56/60/1356625660.db2.gz VPCXQDBAPZXORT-DZGCQCFKSA-N 1 2 348.805 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4cccc(F)c4o3)[C@@H]2C1 ZINC001076593623 1356625664 /nfs/dbraw/zinc/62/56/64/1356625664.db2.gz VPCXQDBAPZXORT-DZGCQCFKSA-N 1 2 348.805 3.471 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC001081035381 1357788958 /nfs/dbraw/zinc/78/89/58/1357788958.db2.gz CTSAPLXVFHWHGV-FZKQIMNGSA-N 1 2 343.858 3.484 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC001081035381 1357788961 /nfs/dbraw/zinc/78/89/61/1357788961.db2.gz CTSAPLXVFHWHGV-FZKQIMNGSA-N 1 2 343.858 3.484 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)[C@@H]2C1 ZINC001084256560 1358174740 /nfs/dbraw/zinc/17/47/40/1358174740.db2.gz KRIXQMYOZNFCQA-ADAARDCZSA-N 1 2 349.478 3.027 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)[C@@H]2C1 ZINC001084256560 1358174744 /nfs/dbraw/zinc/17/47/44/1358174744.db2.gz KRIXQMYOZNFCQA-ADAARDCZSA-N 1 2 349.478 3.027 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4ccccc43)[C@@H]2C1 ZINC001084454412 1358218102 /nfs/dbraw/zinc/21/81/02/1358218102.db2.gz PFHMHUXLHJWVQJ-NZSAHSFTSA-N 1 2 344.886 3.392 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4ccccc43)[C@@H]2C1 ZINC001084454412 1358218105 /nfs/dbraw/zinc/21/81/05/1358218105.db2.gz PFHMHUXLHJWVQJ-NZSAHSFTSA-N 1 2 344.886 3.392 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4nc(C)c(C)o4)C[C@H]32)CC1 ZINC001084634298 1358262210 /nfs/dbraw/zinc/26/22/10/1358262210.db2.gz KRYJHNIWAYVYNC-QZTJIDSGSA-N 1 2 343.471 3.071 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4nc(C)c(C)o4)C[C@H]32)CC1 ZINC001084634298 1358262213 /nfs/dbraw/zinc/26/22/13/1358262213.db2.gz KRYJHNIWAYVYNC-QZTJIDSGSA-N 1 2 343.471 3.071 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)c3cccc(OC)c3)[C@@H]2C1 ZINC001084854757 1358329262 /nfs/dbraw/zinc/32/92/62/1358329262.db2.gz XAJHYGSFTXSKEJ-QGPMSJSTSA-N 1 2 348.874 3.084 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)c3cccc(OC)c3)[C@@H]2C1 ZINC001084854757 1358329268 /nfs/dbraw/zinc/32/92/68/1358329268.db2.gz XAJHYGSFTXSKEJ-QGPMSJSTSA-N 1 2 348.874 3.084 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1n[nH]c2ccc(C)cc21 ZINC001085257918 1358446098 /nfs/dbraw/zinc/44/60/98/1358446098.db2.gz GPRBQQGASGRSSW-HZPDHXFCSA-N 1 2 346.862 3.254 20 30 EGEDLO Cc1ccsc1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001085459623 1358513647 /nfs/dbraw/zinc/51/36/47/1358513647.db2.gz LYAREOQVTCDSTA-KRWDZBQOSA-N 1 2 339.464 3.275 20 30 EGEDLO Cc1ccsc1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001085459623 1358513653 /nfs/dbraw/zinc/51/36/53/1358513653.db2.gz LYAREOQVTCDSTA-KRWDZBQOSA-N 1 2 339.464 3.275 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@H]1CC=CCC1 ZINC001085479679 1358531485 /nfs/dbraw/zinc/53/14/85/1358531485.db2.gz XWKVYVDAMVFEIQ-AZUAARDMSA-N 1 2 340.442 3.066 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@H]1CC=CCC1 ZINC001085479679 1358531487 /nfs/dbraw/zinc/53/14/87/1358531487.db2.gz XWKVYVDAMVFEIQ-AZUAARDMSA-N 1 2 340.442 3.066 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1snc(Cl)c1Cl ZINC001085619639 1358640066 /nfs/dbraw/zinc/64/00/66/1358640066.db2.gz TUXVTVLLGPSXBU-VIFPVBQESA-N 1 2 334.272 3.172 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1snc(Cl)c1Cl ZINC001085619639 1358640067 /nfs/dbraw/zinc/64/00/67/1358640067.db2.gz TUXVTVLLGPSXBU-VIFPVBQESA-N 1 2 334.272 3.172 20 30 EGEDLO C=CCOc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2C/C=C/Cl)cc1 ZINC001085678758 1358682521 /nfs/dbraw/zinc/68/25/21/1358682521.db2.gz QJMSMPNDHQBELM-WJXUGBSRSA-N 1 2 334.847 3.150 20 30 EGEDLO C=CCOc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2C/C=C/Cl)cc1 ZINC001085678758 1358682523 /nfs/dbraw/zinc/68/25/23/1358682523.db2.gz QJMSMPNDHQBELM-WJXUGBSRSA-N 1 2 334.847 3.150 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183830046 1387355336 /nfs/dbraw/zinc/35/53/36/1387355336.db2.gz BDLMQCGCHUEKBS-LJQANCHMSA-N 1 2 325.456 3.337 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183830046 1387355339 /nfs/dbraw/zinc/35/53/39/1387355339.db2.gz BDLMQCGCHUEKBS-LJQANCHMSA-N 1 2 325.456 3.337 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2[C@@H](C)c2cnc(C)cn2)CC1 ZINC001085800927 1358776181 /nfs/dbraw/zinc/77/61/81/1358776181.db2.gz FXYRDIYCHMJGJC-WMZOPIPTSA-N 1 2 342.487 3.125 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2[C@@H](C)c2cnc(C)cn2)CC1 ZINC001085800927 1358776184 /nfs/dbraw/zinc/77/61/84/1358776184.db2.gz FXYRDIYCHMJGJC-WMZOPIPTSA-N 1 2 342.487 3.125 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@H]1CC12CCCC2 ZINC001085909461 1358869684 /nfs/dbraw/zinc/86/96/84/1358869684.db2.gz JYNSVQIATMPYPN-WMLDXEAASA-N 1 2 343.496 3.233 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@H]1CC12CCCC2 ZINC001085909461 1358869686 /nfs/dbraw/zinc/86/96/86/1358869686.db2.gz JYNSVQIATMPYPN-WMLDXEAASA-N 1 2 343.496 3.233 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2coc(C(C)(C)C)n2)[C@H]1CC ZINC001087569830 1359536355 /nfs/dbraw/zinc/53/63/55/1359536355.db2.gz OXBVSHJQGOHTBU-GXTWGEPZSA-N 1 2 339.867 3.307 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2coc(C(C)(C)C)n2)[C@H]1CC ZINC001087569830 1359536357 /nfs/dbraw/zinc/53/63/57/1359536357.db2.gz OXBVSHJQGOHTBU-GXTWGEPZSA-N 1 2 339.867 3.307 20 30 EGEDLO C=C1CCC(C(=O)N2CCCCC[C@H]([NH2+]Cc3cnsn3)C2)CC1 ZINC001088373959 1359855651 /nfs/dbraw/zinc/85/56/51/1359855651.db2.gz VEEHQQNEJCCWOW-INIZCTEOSA-N 1 2 348.516 3.145 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C=C2CCCCC2)[C@H]1C ZINC001088482906 1359935243 /nfs/dbraw/zinc/93/52/43/1359935243.db2.gz FSMPFTYNFUGNPQ-HIFRSBDPSA-N 1 2 341.293 3.365 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C=C2CCCCC2)[C@H]1C ZINC001088482906 1359935252 /nfs/dbraw/zinc/93/52/52/1359935252.db2.gz FSMPFTYNFUGNPQ-HIFRSBDPSA-N 1 2 341.293 3.365 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C2(F)CCCC2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088682371 1360010954 /nfs/dbraw/zinc/01/09/54/1360010954.db2.gz WGLHPYPDRNFJHW-DYVFJYSZSA-N 1 2 347.409 3.059 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C2(F)CCCC2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088682371 1360010957 /nfs/dbraw/zinc/01/09/57/1360010957.db2.gz WGLHPYPDRNFJHW-DYVFJYSZSA-N 1 2 347.409 3.059 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(-c3ccccc3)n[nH]2)[C@H]1C ZINC001088722005 1360021641 /nfs/dbraw/zinc/02/16/41/1360021641.db2.gz DSLCMIDYCHUMCG-HIFRSBDPSA-N 1 2 344.846 3.022 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(-c3ccccc3)n[nH]2)[C@H]1C ZINC001088722005 1360021649 /nfs/dbraw/zinc/02/16/49/1360021649.db2.gz DSLCMIDYCHUMCG-HIFRSBDPSA-N 1 2 344.846 3.022 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnc3c(F)cccc3c2)[C@H]1C ZINC001088750782 1360030113 /nfs/dbraw/zinc/03/01/13/1360030113.db2.gz IAMOSAUVAFJNMW-WBMJQRKESA-N 1 2 347.821 3.319 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnc3c(F)cccc3c2)[C@H]1C ZINC001088750782 1360030117 /nfs/dbraw/zinc/03/01/17/1360030117.db2.gz IAMOSAUVAFJNMW-WBMJQRKESA-N 1 2 347.821 3.319 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3cc(C)ccc3[nH]2)[C@H]1C ZINC001088785835 1360045104 /nfs/dbraw/zinc/04/51/04/1360045104.db2.gz ARXFONKNEMEQFS-HIFRSBDPSA-N 1 2 331.847 3.421 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3cc(C)ccc3[nH]2)[C@H]1C ZINC001088785835 1360045108 /nfs/dbraw/zinc/04/51/08/1360045108.db2.gz ARXFONKNEMEQFS-HIFRSBDPSA-N 1 2 331.847 3.421 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)[C@H](C)CO3)[C@H]1C ZINC001088808549 1360059285 /nfs/dbraw/zinc/05/92/85/1360059285.db2.gz LBUUXAIFPKWDCJ-KFNAQCHYSA-N 1 2 334.847 3.128 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)[C@H](C)CO3)[C@H]1C ZINC001088808549 1360059287 /nfs/dbraw/zinc/05/92/87/1360059287.db2.gz LBUUXAIFPKWDCJ-KFNAQCHYSA-N 1 2 334.847 3.128 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)c2ccc(C)s2)[C@H]1C ZINC001088979678 1360123260 /nfs/dbraw/zinc/12/32/60/1360123260.db2.gz AFNPMUGZRYCFTM-MCIONIFRSA-N 1 2 326.893 3.492 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2ccc(C)s2)[C@H]1C ZINC001088979678 1360123264 /nfs/dbraw/zinc/12/32/64/1360123264.db2.gz AFNPMUGZRYCFTM-MCIONIFRSA-N 1 2 326.893 3.492 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089162691 1360219329 /nfs/dbraw/zinc/21/93/29/1360219329.db2.gz SBTQNJLXQGWORZ-KDOFPFPSSA-N 1 2 342.487 3.069 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H](CNc2cc[nH+]c(C)n2)[C@H](C)C1 ZINC001090282078 1360886506 /nfs/dbraw/zinc/88/65/06/1360886506.db2.gz TWKBNWRWBFZMRB-SJLPKXTDSA-N 1 2 342.487 3.265 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]c(C)n3)C23CCC3)CCC1 ZINC001090617206 1360913443 /nfs/dbraw/zinc/91/34/43/1360913443.db2.gz BVTGHLGHQQFHFN-CVEARBPZSA-N 1 2 340.471 3.371 20 30 EGEDLO CC#CCCCC(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001091497316 1361123882 /nfs/dbraw/zinc/12/38/82/1361123882.db2.gz WNXWNNNQCJETOE-QAQDUYKDSA-N 1 2 342.487 3.409 20 30 EGEDLO C=CCCCC(=O)NCC1CC(Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001092258435 1361346350 /nfs/dbraw/zinc/34/63/50/1361346350.db2.gz JIFVXEPTAUBAGN-UHFFFAOYSA-N 1 2 342.487 3.327 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CCCCCCC1)c1nccn12 ZINC001092379978 1361371479 /nfs/dbraw/zinc/37/14/79/1361371479.db2.gz MZJHIGXZRBEQKN-QGZVFWFLSA-N 1 2 342.487 3.002 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C3CCCCCC3)CC2)C1 ZINC001093514795 1361633232 /nfs/dbraw/zinc/63/32/32/1361633232.db2.gz GBVBOJAIBYQQBP-UHFFFAOYSA-N 1 2 334.504 3.225 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3ccccc3C(C)C)CC2)C1 ZINC001093541282 1361637644 /nfs/dbraw/zinc/63/76/44/1361637644.db2.gz ZZXHNEYUPQAEDR-UHFFFAOYSA-N 1 2 342.483 3.301 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CCC[C@@H]3CC)CC2)C1 ZINC001093571000 1361645976 /nfs/dbraw/zinc/64/59/76/1361645976.db2.gz YNGINDIZBRYQGX-LPHOPBHVSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3ccc(C)cc3F)CC2)C1 ZINC001093577159 1361647508 /nfs/dbraw/zinc/64/75/08/1361647508.db2.gz KGYABAHJABVIGZ-UHFFFAOYSA-N 1 2 346.446 3.016 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3CCCC[C@@H]3CC)CC2)C1 ZINC001093587612 1361650172 /nfs/dbraw/zinc/65/01/72/1361650172.db2.gz WCOXQMMDKUITJJ-LPHOPBHVSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H](C)c3ccccc3)CC2)C1 ZINC001093593327 1361651944 /nfs/dbraw/zinc/65/19/44/1361651944.db2.gz FGAFOPJNYSGILM-QGZVFWFLSA-N 1 2 342.483 3.058 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3sccc3C(C)C)CC2)C1 ZINC001093599167 1361653546 /nfs/dbraw/zinc/65/35/46/1361653546.db2.gz RGRQBSFJIXNDCQ-UHFFFAOYSA-N 1 2 348.512 3.363 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)CC(C3CC3)C3CC3)CC2)C1 ZINC001093598995 1361653908 /nfs/dbraw/zinc/65/39/08/1361653908.db2.gz MUJXLWAOXFSAPV-UHFFFAOYSA-N 1 2 346.515 3.081 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001095202703 1362051896 /nfs/dbraw/zinc/05/18/96/1362051896.db2.gz SGZFPAMNSZYYBL-WBVHZDCISA-N 1 2 344.503 3.405 20 30 EGEDLO C#CCCCC(=O)NCC1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001095354682 1362111676 /nfs/dbraw/zinc/11/16/76/1362111676.db2.gz DKHYJFWDYPTMHN-UHFFFAOYSA-N 1 2 342.487 3.045 20 30 EGEDLO C=CCOc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=C)Cl)cc1 ZINC001095634477 1362191882 /nfs/dbraw/zinc/19/18/82/1362191882.db2.gz QLFUZEQWQNIULO-NJAFHUGGSA-N 1 2 346.858 3.339 20 30 EGEDLO C=CCOc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=C)Cl)cc1 ZINC001095634477 1362191884 /nfs/dbraw/zinc/19/18/84/1362191884.db2.gz QLFUZEQWQNIULO-NJAFHUGGSA-N 1 2 346.858 3.339 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(F)CCCC2)C3)s1 ZINC001095655669 1362197338 /nfs/dbraw/zinc/19/73/38/1362197338.db2.gz OZMYXYHGAXHDDA-KCXAZCMYSA-N 1 2 347.459 3.124 20 30 EGEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(F)CCCC2)C3)s1 ZINC001095655669 1362197339 /nfs/dbraw/zinc/19/73/39/1362197339.db2.gz OZMYXYHGAXHDDA-KCXAZCMYSA-N 1 2 347.459 3.124 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cc3ccccc3o1)C2 ZINC001095841603 1362252152 /nfs/dbraw/zinc/25/21/52/1362252152.db2.gz VZDBXMBMIDYOAJ-PVAVHDDUSA-N 1 2 344.842 3.449 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cc3ccccc3o1)C2 ZINC001095841603 1362252153 /nfs/dbraw/zinc/25/21/53/1362252153.db2.gz VZDBXMBMIDYOAJ-PVAVHDDUSA-N 1 2 344.842 3.449 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001095887088 1362271157 /nfs/dbraw/zinc/27/11/57/1362271157.db2.gz CECCTXQQXPTAHW-XWSJACJDSA-N 1 2 337.467 3.216 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001095887088 1362271158 /nfs/dbraw/zinc/27/11/58/1362271158.db2.gz CECCTXQQXPTAHW-XWSJACJDSA-N 1 2 337.467 3.216 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCCCN(CC)c1nc(C)[nH+]c(C)c1C ZINC001095947764 1362301008 /nfs/dbraw/zinc/30/10/08/1362301008.db2.gz ZVUDONVMTKAUGQ-KBPBESRZSA-N 1 2 332.492 3.193 20 30 EGEDLO Cc1cc(N2CCC[C@@H](NC(=O)C#CC(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC001096179261 1362417310 /nfs/dbraw/zinc/41/73/10/1362417310.db2.gz RWDIQQNXKMJWMR-MRXNPFEDSA-N 1 2 342.487 3.043 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CCCN(c3nc(C)[nH+]c(C)c3C)C2)CC1 ZINC001096233682 1362446237 /nfs/dbraw/zinc/44/62/37/1362446237.db2.gz ZHYWETBYWGJOBY-KRWDZBQOSA-N 1 2 342.487 3.233 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3scnc3c1)C2 ZINC001096270465 1362452529 /nfs/dbraw/zinc/45/25/29/1362452529.db2.gz UOSDJIOBAGUQKL-IPYPFGDCSA-N 1 2 347.871 3.384 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3scnc3c1)C2 ZINC001096270465 1362452530 /nfs/dbraw/zinc/45/25/30/1362452530.db2.gz UOSDJIOBAGUQKL-IPYPFGDCSA-N 1 2 347.871 3.384 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC13CCCC3)C2 ZINC001096286864 1362454548 /nfs/dbraw/zinc/45/45/48/1362454548.db2.gz LWYQIAFYHVHSDE-ZRNYENFQSA-N 1 2 349.478 3.360 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC13CCCC3)C2 ZINC001096286864 1362454552 /nfs/dbraw/zinc/45/45/52/1362454552.db2.gz LWYQIAFYHVHSDE-ZRNYENFQSA-N 1 2 349.478 3.360 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096463569 1362520325 /nfs/dbraw/zinc/52/03/25/1362520325.db2.gz QKWDDYDQBFOFTD-KRWDZBQOSA-N 1 2 342.487 3.187 20 30 EGEDLO C=C[C@@H](CC(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001097032968 1362816457 /nfs/dbraw/zinc/81/64/57/1362816457.db2.gz RWIGFHWJCZPQMS-SZMVWBNQSA-N 1 2 336.439 3.204 20 30 EGEDLO C=C[C@H](CC(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001097032967 1362816701 /nfs/dbraw/zinc/81/67/01/1362816701.db2.gz RWIGFHWJCZPQMS-KBAYOESNSA-N 1 2 336.439 3.204 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097094957 1362840588 /nfs/dbraw/zinc/84/05/88/1362840588.db2.gz USQBMZJAMMMRAP-UIBBOPPKSA-N 1 2 328.460 3.180 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1CCCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001097442889 1362992480 /nfs/dbraw/zinc/99/24/80/1362992480.db2.gz ICBGQZPUXVHJSA-QGZVFWFLSA-N 1 2 342.487 3.494 20 30 EGEDLO C#CCCCCCC(=O)N1CCCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC001097497848 1363022169 /nfs/dbraw/zinc/02/21/69/1363022169.db2.gz RHIAVYOXJVGOEJ-KRWDZBQOSA-N 1 2 328.460 3.162 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3ncccc31)C2 ZINC001097605448 1363070064 /nfs/dbraw/zinc/07/00/64/1363070064.db2.gz AJMXEFHNFZGFJT-XWIAVFTESA-N 1 2 341.842 3.322 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3ncccc31)C2 ZINC001097605448 1363070067 /nfs/dbraw/zinc/07/00/67/1363070067.db2.gz AJMXEFHNFZGFJT-XWIAVFTESA-N 1 2 341.842 3.322 20 30 EGEDLO C#CCCCC(=O)NC[C@@H](C)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001097782166 1363120449 /nfs/dbraw/zinc/12/04/49/1363120449.db2.gz IGFNLOTXANHEGI-OAHLLOKOSA-N 1 2 330.476 3.444 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC(F)(F)C1)C2 ZINC001097831269 1363134373 /nfs/dbraw/zinc/13/43/73/1363134373.db2.gz OASYUBQNKBWZGA-DGAVXFQQSA-N 1 2 332.822 3.286 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC(F)(F)C1)C2 ZINC001097831269 1363134376 /nfs/dbraw/zinc/13/43/76/1363134376.db2.gz OASYUBQNKBWZGA-DGAVXFQQSA-N 1 2 332.822 3.286 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1coc3ccccc13)C2 ZINC001098102254 1363222592 /nfs/dbraw/zinc/22/25/92/1363222592.db2.gz KQRLLMOVXBSPAM-OIISXLGYSA-N 1 2 344.842 3.449 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1coc3ccccc13)C2 ZINC001098102254 1363222597 /nfs/dbraw/zinc/22/25/97/1363222597.db2.gz KQRLLMOVXBSPAM-OIISXLGYSA-N 1 2 344.842 3.449 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001098604670 1363395300 /nfs/dbraw/zinc/39/53/00/1363395300.db2.gz ADTFZNNXNWSVSS-HZPDHXFCSA-N 1 2 342.487 3.469 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CCC[C@@H](Nc3cc[nH+]c(C)n3)C2)CCC1 ZINC001098651386 1363417976 /nfs/dbraw/zinc/41/79/76/1363417976.db2.gz KYGSYEDEAQRBDI-HZPDHXFCSA-N 1 2 328.460 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)n1cccc1 ZINC001099023985 1363581604 /nfs/dbraw/zinc/58/16/04/1363581604.db2.gz YMEGUIUFUXDSJD-HZPDHXFCSA-N 1 2 337.895 3.408 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)n1cccc1 ZINC001099023985 1363581608 /nfs/dbraw/zinc/58/16/08/1363581608.db2.gz YMEGUIUFUXDSJD-HZPDHXFCSA-N 1 2 337.895 3.408 20 30 EGEDLO Cc1nc(C[N@H+]2CC(C)(C)CC[C@@H]2CNC(=O)C#CC(C)C)oc1C ZINC001099065814 1363604418 /nfs/dbraw/zinc/60/44/18/1363604418.db2.gz XBPDMJDJVSLSOQ-QGZVFWFLSA-N 1 2 345.487 3.058 20 30 EGEDLO Cc1nc(C[N@@H+]2CC(C)(C)CC[C@@H]2CNC(=O)C#CC(C)C)oc1C ZINC001099065814 1363604420 /nfs/dbraw/zinc/60/44/20/1363604420.db2.gz XBPDMJDJVSLSOQ-QGZVFWFLSA-N 1 2 345.487 3.058 20 30 EGEDLO CC#CCCCC(=O)NCC[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001099636416 1363895372 /nfs/dbraw/zinc/89/53/72/1363895372.db2.gz MCYFWVYVEVLXAN-AWEZNQCLSA-N 1 2 328.460 3.163 20 30 EGEDLO C#CCCCCC(=O)NCCN(CC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001100491319 1364133843 /nfs/dbraw/zinc/13/38/43/1364133843.db2.gz AKEYBGOHODHKFQ-UHFFFAOYSA-N 1 2 330.476 3.045 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCN(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001100705132 1364227719 /nfs/dbraw/zinc/22/77/19/1364227719.db2.gz PATKNPPRMSUENE-IBGZPJMESA-N 1 2 330.476 3.207 20 30 EGEDLO C#CCCCCC(=O)NC[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001100970078 1364352504 /nfs/dbraw/zinc/35/25/04/1364352504.db2.gz JPLDXIKOWLJUDW-QGZVFWFLSA-N 1 2 342.487 3.045 20 30 EGEDLO C=CC(C)(C)C(=O)NCCN(c1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001101418776 1364553853 /nfs/dbraw/zinc/55/38/53/1364553853.db2.gz ITDGYFSGWYLVRZ-UHFFFAOYSA-N 1 2 330.476 3.206 20 30 EGEDLO Cc1cc(N(CCCNC(=O)C#CC2CC2)C(C)C)nc(C(C)C)[nH+]1 ZINC001102107874 1364861528 /nfs/dbraw/zinc/86/15/28/1364861528.db2.gz JXXAOTIIZRDROD-UHFFFAOYSA-N 1 2 342.487 3.043 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H](CN(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102448098 1365061701 /nfs/dbraw/zinc/06/17/01/1365061701.db2.gz CIYHZZTVOPACDT-MRXNPFEDSA-N 1 2 342.487 3.303 20 30 EGEDLO C=CCC(CC=C)C(=O)N(C)[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102736899 1365196257 /nfs/dbraw/zinc/19/62/57/1365196257.db2.gz TUYWJTMNILHSSN-GOSISDBHSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102756090 1365204135 /nfs/dbraw/zinc/20/41/35/1365204135.db2.gz OMGAHJZINPGZGX-OXQOHEQNSA-N 1 2 342.487 3.302 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H](CC)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001102983714 1365327308 /nfs/dbraw/zinc/32/73/08/1365327308.db2.gz QHJSRTIQBBYLEN-JKSUJKDBSA-N 1 2 348.491 3.196 20 30 EGEDLO N#Cc1cc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cs1 ZINC001324732929 1387755566 /nfs/dbraw/zinc/75/55/66/1387755566.db2.gz CUNMOETVGGOVPL-UHFFFAOYSA-N 1 2 340.452 3.172 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCc1ccc(CNc2cc[nH+]c(C)n2)cc1 ZINC001103666057 1365714242 /nfs/dbraw/zinc/71/42/42/1365714242.db2.gz GBAFXQQJBNSKPI-GJZGRUSLSA-N 1 2 338.455 3.472 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001103701633 1365740384 /nfs/dbraw/zinc/74/03/84/1365740384.db2.gz VTUMQJPSZRWXGN-HNNXBMFYSA-N 1 2 330.476 3.110 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@@H]2CNc2cc[nH+]c(C)n2)CCCC1 ZINC001103807393 1365790421 /nfs/dbraw/zinc/79/04/21/1365790421.db2.gz AMVXCUWPORXJEU-MRXNPFEDSA-N 1 2 328.460 3.324 20 30 EGEDLO C=CCCO[C@H](C)C(=O)NC[C@@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001103884680 1365823519 /nfs/dbraw/zinc/82/35/19/1365823519.db2.gz JUHACJQWQSZJOV-GOEBONIOSA-N 1 2 348.491 3.054 20 30 EGEDLO C=CCCC(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@@H](C)C1 ZINC001105038505 1366288083 /nfs/dbraw/zinc/28/80/83/1366288083.db2.gz NVRFXLHTCZZDTJ-BBRMVZONSA-N 1 2 328.460 3.278 20 30 EGEDLO CC(C)c1cc(N[C@H](CNC(=O)[C@H](C)C#N)C(C)C)nc(C(C)C)[nH+]1 ZINC001105140381 1366343763 /nfs/dbraw/zinc/34/37/63/1366343763.db2.gz YDNZKMPURYNDOG-GDBMZVCRSA-N 1 2 345.491 3.436 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCC[C@@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001105645501 1366557735 /nfs/dbraw/zinc/55/77/35/1366557735.db2.gz BHJOCFBWOBQBGX-CVEARBPZSA-N 1 2 328.460 3.325 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1CCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC001105681831 1366569296 /nfs/dbraw/zinc/56/92/96/1366569296.db2.gz PWHNGASMFAIOAX-KBPBESRZSA-N 1 2 336.867 3.261 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC(OC2C[NH+](CC=C(C)C)C2)CC1 ZINC001105721051 1366583867 /nfs/dbraw/zinc/58/38/67/1366583867.db2.gz NLCMLZCMBPPQEQ-QGZVFWFLSA-N 1 2 334.504 3.247 20 30 EGEDLO C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C ZINC001106154185 1366615231 /nfs/dbraw/zinc/61/52/31/1366615231.db2.gz CDSODKRVSQVFCE-MCIONIFRSA-N 1 2 338.389 3.317 20 30 EGEDLO C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C ZINC001106154185 1366615233 /nfs/dbraw/zinc/61/52/33/1366615233.db2.gz CDSODKRVSQVFCE-MCIONIFRSA-N 1 2 338.389 3.317 20 30 EGEDLO C#CCCCCC(=O)N[C@@H](C)CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001106277745 1366641472 /nfs/dbraw/zinc/64/14/72/1366641472.db2.gz KZTIGTYPEHXNQO-HNNXBMFYSA-N 1 2 330.476 3.409 20 30 EGEDLO C=CC[C@H](C(=O)NC/C=C\CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001107210093 1366892277 /nfs/dbraw/zinc/89/22/77/1366892277.db2.gz CLHRPHZPFFCLLL-ZEVQVBBLSA-N 1 2 336.439 3.229 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)CC(C)C)[C@@H]2C1 ZINC001189551196 1367051061 /nfs/dbraw/zinc/05/10/61/1367051061.db2.gz FROAJMGUYYUMCA-AEGPPILISA-N 1 2 343.309 3.110 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)CC(C)C)[C@@H]2C1 ZINC001189551196 1367051064 /nfs/dbraw/zinc/05/10/64/1367051064.db2.gz FROAJMGUYYUMCA-AEGPPILISA-N 1 2 343.309 3.110 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccns1 ZINC001109344410 1367071198 /nfs/dbraw/zinc/07/11/98/1367071198.db2.gz DBANFQSSIRPLAS-XBFCOCLRSA-N 1 2 339.892 3.143 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccns1 ZINC001109344410 1367071200 /nfs/dbraw/zinc/07/12/00/1367071200.db2.gz DBANFQSSIRPLAS-XBFCOCLRSA-N 1 2 339.892 3.143 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)C=C(CC)CC)C1 ZINC001189631780 1367073777 /nfs/dbraw/zinc/07/37/77/1367073777.db2.gz IWQWTHMXKXUDDD-AWEZNQCLSA-N 1 2 329.282 3.174 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)C=C(CC)CC)C1 ZINC001189631780 1367073781 /nfs/dbraw/zinc/07/37/81/1367073781.db2.gz IWQWTHMXKXUDDD-AWEZNQCLSA-N 1 2 329.282 3.174 20 30 EGEDLO C#CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2c(Cl)cccc2OC)C1 ZINC001189910354 1367128769 /nfs/dbraw/zinc/12/87/69/1367128769.db2.gz NKJLWHVAKYNEOS-OAHLLOKOSA-N 1 2 348.874 3.185 20 30 EGEDLO C#CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2c(Cl)cccc2OC)C1 ZINC001189910354 1367128772 /nfs/dbraw/zinc/12/87/72/1367128772.db2.gz NKJLWHVAKYNEOS-OAHLLOKOSA-N 1 2 348.874 3.185 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)CCCC)C1 ZINC001189973860 1367144223 /nfs/dbraw/zinc/14/42/23/1367144223.db2.gz RRGZSGNCYQIFDF-TZMCWYRMSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)CCCC)C1 ZINC001189973860 1367144225 /nfs/dbraw/zinc/14/42/25/1367144225.db2.gz RRGZSGNCYQIFDF-TZMCWYRMSA-N 1 2 331.298 3.254 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@H+](C)Cc2nc(C)oc2C)C1 ZINC001190355125 1367237469 /nfs/dbraw/zinc/23/74/69/1367237469.db2.gz TYAKTYYENILNAJ-QGZVFWFLSA-N 1 2 331.460 3.093 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(C)oc2C)C1 ZINC001190355125 1367237473 /nfs/dbraw/zinc/23/74/73/1367237473.db2.gz TYAKTYYENILNAJ-QGZVFWFLSA-N 1 2 331.460 3.093 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2cnc(Cl)s2)C1 ZINC001190428291 1367263371 /nfs/dbraw/zinc/26/33/71/1367263371.db2.gz GBOFDYIQOGCOKL-GFCCVEGCSA-N 1 2 327.881 3.186 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cnc(Cl)s2)C1 ZINC001190428291 1367263374 /nfs/dbraw/zinc/26/33/74/1367263374.db2.gz GBOFDYIQOGCOKL-GFCCVEGCSA-N 1 2 327.881 3.186 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@]1(C)C[N@H+](Cc2ccsc2)CCO1 ZINC001108148833 1367310686 /nfs/dbraw/zinc/31/06/86/1367310686.db2.gz OTMJZUKFPHYTEI-QAPCUYQASA-N 1 2 336.501 3.058 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@]1(C)C[N@@H+](Cc2ccsc2)CCO1 ZINC001108148833 1367310689 /nfs/dbraw/zinc/31/06/89/1367310689.db2.gz OTMJZUKFPHYTEI-QAPCUYQASA-N 1 2 336.501 3.058 20 30 EGEDLO C=C[C@@H](C(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C1CC1)c1ccccc1 ZINC001109857440 1367362433 /nfs/dbraw/zinc/36/24/33/1367362433.db2.gz RVNUWIHHVBNDNT-MSOLQXFVSA-N 1 2 336.439 3.062 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](CC2CCCC2)C(C)C)C1 ZINC001108257144 1367366750 /nfs/dbraw/zinc/36/67/50/1367366750.db2.gz HHNSSWLTXOKPAN-TZIWHRDSSA-N 1 2 348.531 3.069 20 30 EGEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](CC2CCCC2)C(C)C)C1 ZINC001108257144 1367366754 /nfs/dbraw/zinc/36/67/54/1367366754.db2.gz HHNSSWLTXOKPAN-TZIWHRDSSA-N 1 2 348.531 3.069 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H](C)CCCCCC)C1 ZINC001108336445 1367395844 /nfs/dbraw/zinc/39/58/44/1367395844.db2.gz CYEXUPNPCUYVFY-UYAOXDASSA-N 1 2 336.520 3.213 20 30 EGEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H](C)CCCCCC)C1 ZINC001108336445 1367395849 /nfs/dbraw/zinc/39/58/49/1367395849.db2.gz CYEXUPNPCUYVFY-UYAOXDASSA-N 1 2 336.520 3.213 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(Cl)c3occc32)C1 ZINC001108339666 1367397877 /nfs/dbraw/zinc/39/78/77/1367397877.db2.gz XVSHHRMDZXEPPT-SFHVURJKSA-N 1 2 348.830 3.093 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(Cl)c3occc32)C1 ZINC001108339666 1367397881 /nfs/dbraw/zinc/39/78/81/1367397881.db2.gz XVSHHRMDZXEPPT-SFHVURJKSA-N 1 2 348.830 3.093 20 30 EGEDLO CC#CCCCC(=O)N[C@@H](CNc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001109958334 1367427038 /nfs/dbraw/zinc/42/70/38/1367427038.db2.gz BWGHYCDFZMUKSY-KRWDZBQOSA-N 1 2 340.471 3.163 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCOc1ccccc1C)C2 ZINC001110097859 1367502903 /nfs/dbraw/zinc/50/29/03/1367502903.db2.gz WSEJVAMTBBBEGA-IKGGRYGDSA-N 1 2 348.874 3.238 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCOc1ccccc1C)C2 ZINC001110097859 1367502907 /nfs/dbraw/zinc/50/29/07/1367502907.db2.gz WSEJVAMTBBBEGA-IKGGRYGDSA-N 1 2 348.874 3.238 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001108636805 1367509027 /nfs/dbraw/zinc/50/90/27/1367509027.db2.gz KCOIJRNCWUIYDZ-HNNXBMFYSA-N 1 2 342.487 3.164 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H](C)CNc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001108675940 1367526535 /nfs/dbraw/zinc/52/65/35/1367526535.db2.gz PVJLCVFYBACWAW-AWEZNQCLSA-N 1 2 328.460 3.325 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC001191912027 1367635568 /nfs/dbraw/zinc/63/55/68/1367635568.db2.gz MDVWQWASZYYARC-AEFFLSMTSA-N 1 2 332.492 3.099 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC001191912027 1367635570 /nfs/dbraw/zinc/63/55/70/1367635570.db2.gz MDVWQWASZYYARC-AEFFLSMTSA-N 1 2 332.492 3.099 20 30 EGEDLO CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001108930376 1367667574 /nfs/dbraw/zinc/66/75/74/1367667574.db2.gz PTZAFJHFFNEJEK-NEWSRXKRSA-N 1 2 343.446 3.499 20 30 EGEDLO CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001108930376 1367667576 /nfs/dbraw/zinc/66/75/76/1367667576.db2.gz PTZAFJHFFNEJEK-NEWSRXKRSA-N 1 2 343.446 3.499 20 30 EGEDLO C=CCC1(C(=O)N[C@@H](C)CN(C)c2nc(C)[nH+]c(C)c2C)CCCC1 ZINC001109004254 1367714428 /nfs/dbraw/zinc/71/44/28/1367714428.db2.gz RXHJIBSQEKUEIT-AWEZNQCLSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC2(C1)CCN(c1cc[nH+]c(C)n1)CC2 ZINC001110463381 1367752683 /nfs/dbraw/zinc/75/26/83/1367752683.db2.gz FWMQVEZXZQRYRI-KRWDZBQOSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)C[C@@H]1C ZINC001110519875 1367799039 /nfs/dbraw/zinc/79/90/39/1367799039.db2.gz FORRZVAXKDEXKQ-YOEHRIQHSA-N 1 2 328.460 3.345 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCO[C@@H](C)CC(C)C)C2 ZINC001110548840 1367823962 /nfs/dbraw/zinc/82/39/62/1367823962.db2.gz MEIBELROEOXFHX-HZMVEIRTSA-N 1 2 342.911 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCO[C@@H](C)CC(C)C)C2 ZINC001110548840 1367823966 /nfs/dbraw/zinc/82/39/66/1367823966.db2.gz MEIBELROEOXFHX-HZMVEIRTSA-N 1 2 342.911 3.302 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nc(C)[nH+]c(C)c1C ZINC001110696541 1367934545 /nfs/dbraw/zinc/93/45/45/1367934545.db2.gz XDXCGMXZELQPNE-MSOLQXFVSA-N 1 2 342.487 3.328 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)CC(CC)CC)C1 ZINC001193078669 1367937427 /nfs/dbraw/zinc/93/74/27/1367937427.db2.gz WDMHMOVQKZZPKP-CQSZACIVSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)CC(CC)CC)C1 ZINC001193078669 1367937432 /nfs/dbraw/zinc/93/74/32/1367937432.db2.gz WDMHMOVQKZZPKP-CQSZACIVSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@]1(C)CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001110809536 1368005029 /nfs/dbraw/zinc/00/50/29/1368005029.db2.gz QAQVSTMZCSTEFM-FOIQADDNSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCC1(C)CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110895504 1368069496 /nfs/dbraw/zinc/06/94/96/1368069496.db2.gz LVRZSFCKBNXIOT-IBGZPJMESA-N 1 2 330.476 3.110 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(F)cccc1F ZINC001110897359 1368070754 /nfs/dbraw/zinc/07/07/54/1368070754.db2.gz JXDDFXVXKBZENZ-JLZZUVOBSA-N 1 2 334.410 3.399 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(F)cccc1F ZINC001110897359 1368070758 /nfs/dbraw/zinc/07/07/58/1368070758.db2.gz JXDDFXVXKBZENZ-JLZZUVOBSA-N 1 2 334.410 3.399 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001110933033 1368103160 /nfs/dbraw/zinc/10/31/60/1368103160.db2.gz FIIOSLJBHWZULD-UOQGXUADSA-N 1 2 331.460 3.115 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001110933033 1368103163 /nfs/dbraw/zinc/10/31/63/1368103163.db2.gz FIIOSLJBHWZULD-UOQGXUADSA-N 1 2 331.460 3.115 20 30 EGEDLO CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C(F)F ZINC001111005260 1368141194 /nfs/dbraw/zinc/14/11/94/1368141194.db2.gz JFHWGUFCUZLGCM-OAGGEKHMSA-N 1 2 347.409 3.071 20 30 EGEDLO CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C(F)F ZINC001111005260 1368141198 /nfs/dbraw/zinc/14/11/98/1368141198.db2.gz JFHWGUFCUZLGCM-OAGGEKHMSA-N 1 2 347.409 3.071 20 30 EGEDLO C=CCCC(=O)N1C[C@H](C)[C@@H](CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001111236842 1368211130 /nfs/dbraw/zinc/21/11/30/1368211130.db2.gz FWTNBRPNAHEXMC-HOCLYGCPSA-N 1 2 342.487 3.136 20 30 EGEDLO COc1cccc(NC(=O)c2cccc(-c3c[nH+]cn3C)c2)c1C#N ZINC001194906265 1368344400 /nfs/dbraw/zinc/34/44/00/1368344400.db2.gz BJIHCQAPSTXMLY-UHFFFAOYSA-N 1 2 332.363 3.220 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H](CCNc3cc[nH+]c(C)n3)C2)CCC1 ZINC001111623421 1368383338 /nfs/dbraw/zinc/38/33/38/1368383338.db2.gz SJBIZPNNIZCNKU-MRXNPFEDSA-N 1 2 328.460 3.182 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H](CCNc3cc[nH+]c(C)n3)C2)CCC1 ZINC001111623420 1368383518 /nfs/dbraw/zinc/38/35/18/1368383518.db2.gz SJBIZPNNIZCNKU-INIZCTEOSA-N 1 2 328.460 3.182 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](CNc2cc[nH+]c(C)n2)CC1 ZINC001111646690 1368409883 /nfs/dbraw/zinc/40/98/83/1368409883.db2.gz KQGJGONSYJFVFY-WKILWMFISA-N 1 2 330.476 3.474 20 30 EGEDLO CC(C)(C)/C=C\C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001195355726 1368426455 /nfs/dbraw/zinc/42/64/55/1368426455.db2.gz BXMJQHOBKPLIOF-FPLPWBNLSA-N 1 2 343.446 3.334 20 30 EGEDLO CC(C)(C)/C=C\C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001195355726 1368426459 /nfs/dbraw/zinc/42/64/59/1368426459.db2.gz BXMJQHOBKPLIOF-FPLPWBNLSA-N 1 2 343.446 3.334 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[N@H+](Cc2nc3ccccc3o2)CC1 ZINC001195989971 1368529322 /nfs/dbraw/zinc/52/93/22/1368529322.db2.gz IGSBDGHTQSDVGA-UHFFFAOYSA-N 1 2 341.455 3.464 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[N@@H+](Cc2nc3ccccc3o2)CC1 ZINC001195989971 1368529325 /nfs/dbraw/zinc/52/93/25/1368529325.db2.gz IGSBDGHTQSDVGA-UHFFFAOYSA-N 1 2 341.455 3.464 20 30 EGEDLO C=CCCCC(=O)NCC1(Nc2nc(C)[nH+]c3c2CCCC3)CCC1 ZINC001111890475 1368534734 /nfs/dbraw/zinc/53/47/34/1368534734.db2.gz CDSDYTSPZDVGGO-UHFFFAOYSA-N 1 2 342.487 3.471 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001111999942 1368603691 /nfs/dbraw/zinc/60/36/91/1368603691.db2.gz DTBYGOCCLZPQCQ-QGZVFWFLSA-N 1 2 330.476 3.233 20 30 EGEDLO CC(C)=C(C)CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001196782223 1368684129 /nfs/dbraw/zinc/68/41/29/1368684129.db2.gz JUTSLLXIWDGJOC-UHFFFAOYSA-N 1 2 343.446 3.478 20 30 EGEDLO CC(C)=C(C)CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001196782223 1368684131 /nfs/dbraw/zinc/68/41/31/1368684131.db2.gz JUTSLLXIWDGJOC-UHFFFAOYSA-N 1 2 343.446 3.478 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@H+](Cc2nc3ccccc3o2)CC1 ZINC001196881689 1368706823 /nfs/dbraw/zinc/70/68/23/1368706823.db2.gz WGAUYELKWPLBHA-MRXNPFEDSA-N 1 2 341.455 3.464 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+](Cc2nc3ccccc3o2)CC1 ZINC001196881689 1368706825 /nfs/dbraw/zinc/70/68/25/1368706825.db2.gz WGAUYELKWPLBHA-MRXNPFEDSA-N 1 2 341.455 3.464 20 30 EGEDLO C=CCCC(=O)N1CCCC[C@H]1[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001112203049 1368712419 /nfs/dbraw/zinc/71/24/19/1368712419.db2.gz BTNQEAHSFJHDOC-ROUUACIJSA-N 1 2 342.487 3.349 20 30 EGEDLO CCC1(Nc2cc[nH+]c(C)n2)CCN(C(=O)C#CC(C)(C)C)CC1 ZINC001112205728 1368715066 /nfs/dbraw/zinc/71/50/66/1368715066.db2.gz HJOFZASMLCAAFB-UHFFFAOYSA-N 1 2 328.460 3.018 20 30 EGEDLO CC#CCCCC(=O)N1C[C@H](C)[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001112333769 1368771935 /nfs/dbraw/zinc/77/19/35/1368771935.db2.gz LDIMGHXVMZMUKZ-WMLDXEAASA-N 1 2 340.471 3.115 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[N@@H+](Cc2nc(C)sc2C)CC1 ZINC001197292171 1368781424 /nfs/dbraw/zinc/78/14/24/1368781424.db2.gz RHAJLXVWGUMTOC-UHFFFAOYSA-N 1 2 335.517 3.397 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[N@H+](Cc2nc(C)sc2C)CC1 ZINC001197292171 1368781425 /nfs/dbraw/zinc/78/14/25/1368781425.db2.gz RHAJLXVWGUMTOC-UHFFFAOYSA-N 1 2 335.517 3.397 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001112384259 1368812722 /nfs/dbraw/zinc/81/27/22/1368812722.db2.gz IOVXJOIDICDWRF-DNVCBOLYSA-N 1 2 330.476 3.108 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]2CC1 ZINC001112443915 1368858126 /nfs/dbraw/zinc/85/81/26/1368858126.db2.gz VCOSWCLHWMRUEY-KURKYZTESA-N 1 2 342.487 3.062 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C=C(C)C(C)(C)C(=O)NC[C@@H](C)N(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001113818169 1369621381 /nfs/dbraw/zinc/62/13/81/1369621381.db2.gz YEQCAQMYNQAFQD-CQSZACIVSA-N 1 2 344.503 3.207 20 30 EGEDLO C=CCCC(=O)N[C@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)CC[C@@H]1C ZINC001114002031 1369681045 /nfs/dbraw/zinc/68/10/45/1369681045.db2.gz UIKOCSGHTOXWJD-HOCLYGCPSA-N 1 2 330.476 3.206 20 30 EGEDLO Cc1cc(N[C@@H](CCN(C)C(=O)[C@H](C)C#N)C(C)C)nc(C2CC2)[nH+]1 ZINC001114085264 1369726146 /nfs/dbraw/zinc/72/61/46/1369726146.db2.gz VDAIGLBLYIHUNP-CJNGLKHVSA-N 1 2 343.475 3.107 20 30 EGEDLO C#CCCCCC(=O)N(C)CC[C@H](Nc1cc[nH+]c(C)n1)C(C)C ZINC001114094414 1369731610 /nfs/dbraw/zinc/73/16/10/1369731610.db2.gz JSENQZMUQPQXME-KRWDZBQOSA-N 1 2 330.476 3.264 20 30 EGEDLO N#Cc1cccc(NC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001202787976 1369892512 /nfs/dbraw/zinc/89/25/12/1369892512.db2.gz XARUQDKGJFVKJP-UHFFFAOYSA-N 1 2 336.395 3.034 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1C[C@H]([NH2+]CC(F)(F)C(F)F)C12CCC2 ZINC001202796653 1369896417 /nfs/dbraw/zinc/89/64/17/1369896417.db2.gz YYFQATFDUVYEQW-STQMWFEESA-N 1 2 348.384 3.097 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001114474078 1369964341 /nfs/dbraw/zinc/96/43/41/1369964341.db2.gz CKQKYSYSHIEALM-CXAGYDPISA-N 1 2 344.503 3.335 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H]1CN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001114476228 1369966353 /nfs/dbraw/zinc/96/63/53/1369966353.db2.gz CHSHQGQHYBQMKN-SJORKVTESA-N 1 2 344.503 3.335 20 30 EGEDLO C=C[C@@H](C(=O)N[C@@H](C)CCCNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001114948291 1370170901 /nfs/dbraw/zinc/17/09/01/1370170901.db2.gz ANYVARBRWSZOJI-MAUKXSAKSA-N 1 2 338.455 3.452 20 30 EGEDLO C=CCO[C@H](C)C(=O)N[C@@H](C)CCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001114955129 1370176332 /nfs/dbraw/zinc/17/63/32/1370176332.db2.gz FXPOBQVNMILCNL-GOEBONIOSA-N 1 2 348.491 3.196 20 30 EGEDLO C=CCOCCCC(=O)N(C)C[C@@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001115665678 1370647117 /nfs/dbraw/zinc/64/71/17/1370647117.db2.gz ATTDWXZAUASZLR-MRXNPFEDSA-N 1 2 348.491 3.150 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(F)c(C)c1 ZINC001205187253 1370673950 /nfs/dbraw/zinc/67/39/50/1370673950.db2.gz VRFKTBAMIZDKOA-GOSISDBHSA-N 1 2 329.419 3.170 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(F)c(C)c1 ZINC001205187253 1370673953 /nfs/dbraw/zinc/67/39/53/1370673953.db2.gz VRFKTBAMIZDKOA-GOSISDBHSA-N 1 2 329.419 3.170 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccc(F)c(C#N)c1)CCO2 ZINC001205472455 1370765112 /nfs/dbraw/zinc/76/51/12/1370765112.db2.gz DHUDMLPOIFSMBX-UYAOXDASSA-N 1 2 344.430 3.271 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1ccc(F)c(C#N)c1)CCO2 ZINC001205472455 1370765115 /nfs/dbraw/zinc/76/51/15/1370765115.db2.gz DHUDMLPOIFSMBX-UYAOXDASSA-N 1 2 344.430 3.271 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC001187340749 1388097146 /nfs/dbraw/zinc/09/71/46/1388097146.db2.gz DSAMZJCXUJWCLE-MRXNPFEDSA-N 1 2 348.491 3.388 20 30 EGEDLO CCC[N@H+](Cc1c(Cl)nc(OC)n1C)Cc1ccc(C#N)cc1 ZINC001116440951 1370912189 /nfs/dbraw/zinc/91/21/89/1370912189.db2.gz AMUUCNFRNRIJHQ-UHFFFAOYSA-N 1 2 332.835 3.366 20 30 EGEDLO CCC[N@@H+](Cc1c(Cl)nc(OC)n1C)Cc1ccc(C#N)cc1 ZINC001116440951 1370912195 /nfs/dbraw/zinc/91/21/95/1370912195.db2.gz AMUUCNFRNRIJHQ-UHFFFAOYSA-N 1 2 332.835 3.366 20 30 EGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CCc2ccc(F)cc2F)CC1 ZINC001116530584 1370931412 /nfs/dbraw/zinc/93/14/12/1370931412.db2.gz SBMBHGOORJRELO-FQEVSTJZSA-N 1 2 341.405 3.390 20 30 EGEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2)C[C@H]1C ZINC001206659108 1371124462 /nfs/dbraw/zinc/12/44/62/1371124462.db2.gz CXUGTBVKDOXRNE-FIXISWKDSA-N 1 2 340.254 3.090 20 30 EGEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2)C[C@H]1C ZINC001206659108 1371124465 /nfs/dbraw/zinc/12/44/65/1371124465.db2.gz CXUGTBVKDOXRNE-FIXISWKDSA-N 1 2 340.254 3.090 20 30 EGEDLO NC(=[NH+]OCC[C@H]1CCOC1)c1ccc(OCc2ccccc2)cc1 ZINC001326148805 1388119411 /nfs/dbraw/zinc/11/94/11/1388119411.db2.gz ZCCQRBUDUCGSKC-QGZVFWFLSA-N 1 2 340.423 3.329 20 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ZINC001208458441 1371774539 /nfs/dbraw/zinc/77/45/39/1371774539.db2.gz JYCYLDNZQOFWJJ-BZUAXINKSA-N 1 2 348.491 3.266 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc(CCCC)no2)C[C@H]1C ZINC001208458441 1371774543 /nfs/dbraw/zinc/77/45/43/1371774543.db2.gz JYCYLDNZQOFWJJ-BZUAXINKSA-N 1 2 348.491 3.266 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2nc3c(o2)CCCC3)C[C@H]1C ZINC001208512138 1371794556 /nfs/dbraw/zinc/79/45/56/1371794556.db2.gz XOEVUZIVRMXEAM-AKCHCHLHSA-N 1 2 345.487 3.092 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2nc3c(o2)CCCC3)C[C@H]1C ZINC001208512138 1371794561 /nfs/dbraw/zinc/79/45/61/1371794561.db2.gz XOEVUZIVRMXEAM-AKCHCHLHSA-N 1 2 345.487 3.092 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ncoc2C(C)C)C[C@H]1C ZINC001208511974 1371795045 /nfs/dbraw/zinc/79/50/45/1371795045.db2.gz QJGZWVSZZQSGCR-SPYBWZPUSA-N 1 2 333.476 3.337 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ncoc2C(C)C)C[C@H]1C ZINC001208511974 1371795047 /nfs/dbraw/zinc/79/50/47/1371795047.db2.gz QJGZWVSZZQSGCR-SPYBWZPUSA-N 1 2 333.476 3.337 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](CC=C(Cl)Cl)C[C@H]2C)CCC1 ZINC001208517858 1371797132 /nfs/dbraw/zinc/79/71/32/1371797132.db2.gz ZDSYYGQFPDGWBH-CHWSQXEVSA-N 1 2 331.287 3.488 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](CC=C(Cl)Cl)C[C@H]2C)CCC1 ZINC001208517858 1371797136 /nfs/dbraw/zinc/79/71/36/1371797136.db2.gz ZDSYYGQFPDGWBH-CHWSQXEVSA-N 1 2 331.287 3.488 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2noc3c2CCCC3)C[C@H]1C ZINC001208964197 1371965259 /nfs/dbraw/zinc/96/52/59/1371965259.db2.gz VVXIPWPSSSINES-GDBMZVCRSA-N 1 2 345.487 3.092 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2noc3c2CCCC3)C[C@H]1C ZINC001208964197 1371965264 /nfs/dbraw/zinc/96/52/64/1371965264.db2.gz VVXIPWPSSSINES-GDBMZVCRSA-N 1 2 345.487 3.092 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001209028292 1371977532 /nfs/dbraw/zinc/97/75/32/1371977532.db2.gz GCSFTRJEXWDMLF-VHDGCEQUSA-N 1 2 345.325 3.404 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001209028292 1371977534 /nfs/dbraw/zinc/97/75/34/1371977534.db2.gz GCSFTRJEXWDMLF-VHDGCEQUSA-N 1 2 345.325 3.404 20 30 EGEDLO CC#CCCCC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2nc(C(C)C)no2)C1 ZINC001209110512 1371999896 /nfs/dbraw/zinc/99/98/96/1371999896.db2.gz ATGZISUUKOCPPU-HZPDHXFCSA-N 1 2 346.475 3.028 20 30 EGEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)c1cccc(C)c1C ZINC001121621160 1372028444 /nfs/dbraw/zinc/02/84/44/1372028444.db2.gz XQWFQIMEXGIWOQ-UHFFFAOYSA-N 1 2 336.443 3.173 20 30 EGEDLO C=CCCCCCCCC[N@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC001209444544 1372108261 /nfs/dbraw/zinc/10/82/61/1372108261.db2.gz UEALWLUAFMTPJK-SJORKVTESA-N 1 2 339.476 3.330 20 30 EGEDLO C=CCCCCCCCC[N@@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC001209444544 1372108264 /nfs/dbraw/zinc/10/82/64/1372108264.db2.gz UEALWLUAFMTPJK-SJORKVTESA-N 1 2 339.476 3.330 20 30 EGEDLO N#Cc1c(F)ccc(Nc2ccccc2C[NH+]2CCOCC2)c1F ZINC001209931019 1372233954 /nfs/dbraw/zinc/23/39/54/1372233954.db2.gz XQCOQYRWFRANRN-UHFFFAOYSA-N 1 2 329.350 3.412 20 30 EGEDLO N#C[C@H]1C[NH2+]CCN1Cc1c(Br)ccc(Cl)c1Cl ZINC001210120892 1372275748 /nfs/dbraw/zinc/27/57/48/1372275748.db2.gz IFAPZZVGSPKFCM-QMMMGPOBSA-N 1 2 349.059 3.053 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001122622847 1372285466 /nfs/dbraw/zinc/28/54/66/1372285466.db2.gz KCSKXVBYMDOJQT-HZPDHXFCSA-N 1 2 347.507 3.015 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001122622847 1372285469 /nfs/dbraw/zinc/28/54/69/1372285469.db2.gz KCSKXVBYMDOJQT-HZPDHXFCSA-N 1 2 347.507 3.015 20 30 EGEDLO Cc1ccc(C#N)cc1Nc1cc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c(C)n1 ZINC001210495072 1372366129 /nfs/dbraw/zinc/36/61/29/1372366129.db2.gz DKWMBKKOSKKDBE-KBPBESRZSA-N 1 2 337.427 3.322 20 30 EGEDLO C=CCCC(=O)N[C@]12CCC[C@H]1N(c1cc(C)[nH+]c(C3CC3)n1)CC2 ZINC001123384851 1372449764 /nfs/dbraw/zinc/44/97/64/1372449764.db2.gz FYTOAMZOTRIPID-UZLBHIALSA-N 1 2 340.471 3.246 20 30 EGEDLO C=CCCC(=O)N[C@]12CCC[C@@H]1N(c1cc(C)[nH+]c(C(C)C)n1)CC2 ZINC001123386381 1372450887 /nfs/dbraw/zinc/45/08/87/1372450887.db2.gz QRRZCNOPBQRCQL-JXFKEZNVSA-N 1 2 342.487 3.492 20 30 EGEDLO C=CCCCC(=O)N1C[C@@H]2CCC[C@@H](Nc3cc[nH+]c(C)n3)[C@H]2C1 ZINC001123512929 1372493265 /nfs/dbraw/zinc/49/32/65/1372493265.db2.gz HVCMWBDRSJFSQV-YESZJQIVSA-N 1 2 328.460 3.180 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)[C@H]1C ZINC001123636771 1372534344 /nfs/dbraw/zinc/53/43/44/1372534344.db2.gz OZFZCRMWZTVFMY-RDJZCZTQSA-N 1 2 342.487 3.492 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[C@H](CNc3cc[nH+]c(C)n3)C2)CCC1 ZINC001123866373 1372610510 /nfs/dbraw/zinc/61/05/10/1372610510.db2.gz DCTCPDNQOYZBAV-HOTGVXAUSA-N 1 2 328.460 3.228 20 30 EGEDLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc(OC)cc1C#N ZINC001212782639 1372771478 /nfs/dbraw/zinc/77/14/78/1372771478.db2.gz JPEZFHVFGNMZCG-UHFFFAOYSA-N 1 2 349.394 3.462 20 30 EGEDLO C#CCCCC(=O)N[C@H](CNc1cc(C)[nH+]c(C2CC2)n1)C(C)(C)C ZINC001125874583 1372878860 /nfs/dbraw/zinc/87/88/60/1372878860.db2.gz NQZPNMLWKYJFJJ-MRXNPFEDSA-N 1 2 342.487 3.409 20 30 EGEDLO N#Cc1ccc(Nc2ccc3[nH+]cc(Br)n3c2)c(N)c1 ZINC001213351568 1372889545 /nfs/dbraw/zinc/88/95/45/1372889545.db2.gz SIWLZJGRFAXXEU-UHFFFAOYSA-N 1 2 328.173 3.294 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H](C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001126667569 1372994260 /nfs/dbraw/zinc/99/42/60/1372994260.db2.gz FKJFSKOEELMVQD-LSDHHAIUSA-N 1 2 330.476 3.108 20 30 EGEDLO C=CCCCC(=O)N[C@@H](C)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001126767653 1373017647 /nfs/dbraw/zinc/01/76/47/1373017647.db2.gz OJIGVZRZKCDDBG-INIZCTEOSA-N 1 2 344.503 3.479 20 30 EGEDLO C#CCC1(C(=O)N(C)C2CC(Nc3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001126956647 1373057346 /nfs/dbraw/zinc/05/73/46/1373057346.db2.gz QECFYXNMVGVDHH-UHFFFAOYSA-N 1 2 340.471 3.160 20 30 EGEDLO C=CC(C)(C)C(=O)NCC1=CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001127745381 1373173145 /nfs/dbraw/zinc/17/31/45/1373173145.db2.gz GHGZKQLGLQPXKF-UHFFFAOYSA-N 1 2 342.487 3.373 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)C=C3CCC3)c2C1 ZINC001128301168 1373249366 /nfs/dbraw/zinc/24/93/66/1373249366.db2.gz RNHZOGSKYVTLQC-UHFFFAOYSA-N 1 2 342.487 3.172 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)C=C3CCC3)c2C1 ZINC001128301168 1373249373 /nfs/dbraw/zinc/24/93/73/1373249373.db2.gz RNHZOGSKYVTLQC-UHFFFAOYSA-N 1 2 342.487 3.172 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@]3(C)CCC[C@@H]3CC)c2C1 ZINC001128392799 1373260863 /nfs/dbraw/zinc/26/08/63/1373260863.db2.gz UOPXHDQWSRPJEE-FXAWDEMLSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@]3(C)CCC[C@@H]3CC)c2C1 ZINC001128392799 1373260866 /nfs/dbraw/zinc/26/08/66/1373260866.db2.gz UOPXHDQWSRPJEE-FXAWDEMLSA-N 1 2 344.503 3.107 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCc1cnn2c1C[N@H+](CCCCCC)CC2 ZINC001128448678 1373269284 /nfs/dbraw/zinc/26/92/84/1373269284.db2.gz UUFMSMVHSVHAGR-IAGOWNOFSA-N 1 2 346.519 3.353 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCc1cnn2c1C[N@@H+](CCCCCC)CC2 ZINC001128448678 1373269288 /nfs/dbraw/zinc/26/92/88/1373269288.db2.gz UUFMSMVHSVHAGR-IAGOWNOFSA-N 1 2 346.519 3.353 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCc1cnn2c1C[N@H+](CC/C=C/CC)CC2 ZINC001128463633 1373272356 /nfs/dbraw/zinc/27/23/56/1373272356.db2.gz OKUFHOFTVWDUER-OZSKJFCKSA-N 1 2 344.503 3.274 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCc1cnn2c1C[N@@H+](CC/C=C/CC)CC2 ZINC001128463633 1373272361 /nfs/dbraw/zinc/27/23/61/1373272361.db2.gz OKUFHOFTVWDUER-OZSKJFCKSA-N 1 2 344.503 3.274 20 30 EGEDLO Cc1c(C#N)cccc1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001216177855 1373274886 /nfs/dbraw/zinc/27/48/86/1373274886.db2.gz URAZMOINDMQUBP-UHFFFAOYSA-N 1 2 337.423 3.321 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCc1cnn2c1C[N@H+](CC/C=C/CC)CC2 ZINC001128481343 1373275552 /nfs/dbraw/zinc/27/55/52/1373275552.db2.gz KVKARDLDWKGINL-NDDJGDGRSA-N 1 2 344.503 3.274 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCc1cnn2c1C[N@@H+](CC/C=C/CC)CC2 ZINC001128481343 1373275553 /nfs/dbraw/zinc/27/55/53/1373275553.db2.gz KVKARDLDWKGINL-NDDJGDGRSA-N 1 2 344.503 3.274 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H](C)[C@H](C)C(C)(C)C)c2C1 ZINC001128517280 1373281864 /nfs/dbraw/zinc/28/18/64/1373281864.db2.gz FFVGXAHKCQQVSK-HOTGVXAUSA-N 1 2 346.519 3.209 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H](C)[C@H](C)C(C)(C)C)c2C1 ZINC001128517280 1373281867 /nfs/dbraw/zinc/28/18/67/1373281867.db2.gz FFVGXAHKCQQVSK-HOTGVXAUSA-N 1 2 346.519 3.209 20 30 EGEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1cc2c(s1)SCC(=O)N2 ZINC001326689263 1388283125 /nfs/dbraw/zinc/28/31/25/1388283125.db2.gz FLSUKQSTXFBHKJ-WAYWQWQTSA-N 1 2 345.449 3.149 20 30 EGEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1cnn(Cc2ccccc2)c1 ZINC001326691334 1388283203 /nfs/dbraw/zinc/28/32/03/1388283203.db2.gz XFOCXEITGRNBLK-KHPPLWFESA-N 1 2 332.407 3.289 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc3ccc(F)cc3o2)C1 ZINC001131896719 1375033363 /nfs/dbraw/zinc/03/33/63/1375033363.db2.gz VESBJPWJPGRPSB-UKRRQHHQSA-N 1 2 345.418 3.402 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2nc3ccc(F)cc3o2)C1 ZINC001131896719 1375033367 /nfs/dbraw/zinc/03/33/67/1375033367.db2.gz VESBJPWJPGRPSB-UKRRQHHQSA-N 1 2 345.418 3.402 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)/C=C/C(C)(C)C)CC[C@@H]1C ZINC001131911054 1375042633 /nfs/dbraw/zinc/04/26/33/1375042633.db2.gz CEIWDQANQAOZCC-NYCDYWJRSA-N 1 2 343.309 3.466 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)/C=C/C(C)(C)C)CC[C@@H]1C ZINC001131911054 1375042636 /nfs/dbraw/zinc/04/26/36/1375042636.db2.gz CEIWDQANQAOZCC-NYCDYWJRSA-N 1 2 343.309 3.466 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)CCC2CC2)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC001131921848 1375047170 /nfs/dbraw/zinc/04/71/70/1375047170.db2.gz DNIDOUSEZNPVOD-KUHUBIRLSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)CCC2CC2)C[N@H+]1Cc1cc(F)ccc1C#N ZINC001131921848 1375047172 /nfs/dbraw/zinc/04/71/72/1375047172.db2.gz DNIDOUSEZNPVOD-KUHUBIRLSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)/C=C\C2CC2)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC001131943106 1375059709 /nfs/dbraw/zinc/05/97/09/1375059709.db2.gz KFOFBHYKLCUEQV-MZLHGDOOSA-N 1 2 341.430 3.133 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)/C=C\C2CC2)C[N@H+]1Cc1cc(F)ccc1C#N ZINC001131943106 1375059715 /nfs/dbraw/zinc/05/97/15/1375059715.db2.gz KFOFBHYKLCUEQV-MZLHGDOOSA-N 1 2 341.430 3.133 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccncc2Cl)C1 ZINC001131971016 1375076094 /nfs/dbraw/zinc/07/60/94/1375076094.db2.gz APGIOQFGLFFWHC-RDJZCZTQSA-N 1 2 347.890 3.398 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccncc2Cl)C1 ZINC001131971016 1375076097 /nfs/dbraw/zinc/07/60/97/1375076097.db2.gz APGIOQFGLFFWHC-RDJZCZTQSA-N 1 2 347.890 3.398 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2csc(CC)n2)C1 ZINC001131976604 1375079249 /nfs/dbraw/zinc/07/92/49/1375079249.db2.gz NFDOOYCSXCAOPA-HZPDHXFCSA-N 1 2 347.528 3.368 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2csc(CC)n2)C1 ZINC001131976604 1375079253 /nfs/dbraw/zinc/07/92/53/1375079253.db2.gz NFDOOYCSXCAOPA-HZPDHXFCSA-N 1 2 347.528 3.368 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(F)cc2F)C1 ZINC001132003828 1375094967 /nfs/dbraw/zinc/09/49/67/1375094967.db2.gz ZZDBNQVVPVIMRS-PBHICJAKSA-N 1 2 334.410 3.237 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(F)cc2F)C1 ZINC001132003828 1375094972 /nfs/dbraw/zinc/09/49/72/1375094972.db2.gz ZZDBNQVVPVIMRS-PBHICJAKSA-N 1 2 334.410 3.237 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1cc(C2CC2)no1 ZINC001132039262 1375112068 /nfs/dbraw/zinc/11/20/68/1375112068.db2.gz XUQKOWXMFZGLQY-GDBMZVCRSA-N 1 2 343.471 3.071 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1cc(C2CC2)no1 ZINC001132039262 1375112071 /nfs/dbraw/zinc/11/20/71/1375112071.db2.gz XUQKOWXMFZGLQY-GDBMZVCRSA-N 1 2 343.471 3.071 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1CC=C(Cl)Cl ZINC001132038140 1375112273 /nfs/dbraw/zinc/11/22/73/1375112273.db2.gz OZGUYLLVJAYWOL-OLZOCXBDSA-N 1 2 331.287 3.324 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@H+]1CC=C(Cl)Cl ZINC001132038140 1375112275 /nfs/dbraw/zinc/11/22/75/1375112275.db2.gz OZGUYLLVJAYWOL-OLZOCXBDSA-N 1 2 331.287 3.324 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1cc(F)ccc1Cl ZINC001132047008 1375116128 /nfs/dbraw/zinc/11/61/28/1375116128.db2.gz SMQZWLBFWAXHRB-DYVFJYSZSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1cc(F)ccc1Cl ZINC001132047008 1375116132 /nfs/dbraw/zinc/11/61/32/1375116132.db2.gz SMQZWLBFWAXHRB-DYVFJYSZSA-N 1 2 348.849 3.362 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)oc2C)C1 ZINC001132060168 1375125319 /nfs/dbraw/zinc/12/53/19/1375125319.db2.gz ARDDDONPDGIQOM-CZUORRHYSA-N 1 2 333.476 3.363 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2nc(C)oc2C)C1 ZINC001132060168 1375125321 /nfs/dbraw/zinc/12/53/21/1375125321.db2.gz ARDDDONPDGIQOM-CZUORRHYSA-N 1 2 333.476 3.363 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCCc2ncc(C)o2)CC[C@H]1C ZINC001132087291 1375139267 /nfs/dbraw/zinc/13/92/67/1375139267.db2.gz NXCPAJBRSGNMLQ-UKRRQHHQSA-N 1 2 339.867 3.027 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCCc2ncc(C)o2)CC[C@H]1C ZINC001132087291 1375139270 /nfs/dbraw/zinc/13/92/70/1375139270.db2.gz NXCPAJBRSGNMLQ-UKRRQHHQSA-N 1 2 339.867 3.027 20 30 EGEDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)c1cccc(CC#N)c1 ZINC001188677007 1388359799 /nfs/dbraw/zinc/35/97/99/1388359799.db2.gz XUTNKPOKRYHDPB-UHFFFAOYSA-N 1 2 330.391 3.211 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)CC2(C)CC2)CC[C@@H]1C ZINC001132191599 1375198171 /nfs/dbraw/zinc/19/81/71/1375198171.db2.gz VGPLURXVMXRQAP-QWHCGFSZSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)CC2(C)CC2)CC[C@@H]1C ZINC001132191599 1375198175 /nfs/dbraw/zinc/19/81/75/1375198175.db2.gz VGPLURXVMXRQAP-QWHCGFSZSA-N 1 2 329.282 3.054 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3nocc3C)C2)CCC1 ZINC001132281452 1375263520 /nfs/dbraw/zinc/26/35/20/1375263520.db2.gz CERWFHBGVHGZKK-JKSUJKDBSA-N 1 2 331.460 3.199 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3nocc3C)C2)CCC1 ZINC001132281452 1375263521 /nfs/dbraw/zinc/26/35/21/1375263521.db2.gz CERWFHBGVHGZKK-JKSUJKDBSA-N 1 2 331.460 3.199 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1noc(C)n1 ZINC001226475044 1375264552 /nfs/dbraw/zinc/26/45/52/1375264552.db2.gz VJOJFXGSTOKMAK-NWANDNLSSA-N 1 2 334.464 3.058 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C(C)(C)C(F)(F)F)CC[C@H]1C ZINC001132446484 1375391805 /nfs/dbraw/zinc/39/18/05/1375391805.db2.gz YYFKCKLZWKOOMS-MNOVXSKESA-N 1 2 326.790 3.297 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(F)(F)F)CC[C@H]1C ZINC001132446484 1375391808 /nfs/dbraw/zinc/39/18/08/1375391808.db2.gz YYFKCKLZWKOOMS-MNOVXSKESA-N 1 2 326.790 3.297 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCOc2ccccc2)CC[C@@H]1C ZINC001132500278 1375427364 /nfs/dbraw/zinc/42/73/64/1375427364.db2.gz OTCPRJAMYIXZAQ-JKSUJKDBSA-N 1 2 336.863 3.177 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCOc2ccccc2)CC[C@@H]1C ZINC001132500278 1375427365 /nfs/dbraw/zinc/42/73/65/1375427365.db2.gz OTCPRJAMYIXZAQ-JKSUJKDBSA-N 1 2 336.863 3.177 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC#Cc2ccccc2)CC[C@H]1C ZINC001132508499 1375431893 /nfs/dbraw/zinc/43/18/93/1375431893.db2.gz LAXWOUUDFWTGCE-AEFFLSMTSA-N 1 2 330.859 3.150 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC#Cc2ccccc2)CC[C@H]1C ZINC001132508499 1375431896 /nfs/dbraw/zinc/43/18/96/1375431896.db2.gz LAXWOUUDFWTGCE-AEFFLSMTSA-N 1 2 330.859 3.150 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3ccn(C)n3)C2)CCCC1 ZINC001132547152 1375454741 /nfs/dbraw/zinc/45/47/41/1375454741.db2.gz XRUGBCTUIBNTOW-SJORKVTESA-N 1 2 344.503 3.026 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3ccn(C)n3)C2)CCCC1 ZINC001132547152 1375454746 /nfs/dbraw/zinc/45/47/46/1375454746.db2.gz XRUGBCTUIBNTOW-SJORKVTESA-N 1 2 344.503 3.026 20 30 EGEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(-c4nc5ccccc5[nH]4)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228332818 1375549401 /nfs/dbraw/zinc/54/94/01/1375549401.db2.gz PXBVUTMRIKXBSE-NSBXCQRDSA-N 1 2 347.418 3.221 20 30 EGEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(-c4nc5ccccc5[nH]4)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228332818 1375549407 /nfs/dbraw/zinc/54/94/07/1375549407.db2.gz PXBVUTMRIKXBSE-NSBXCQRDSA-N 1 2 347.418 3.221 20 30 EGEDLO CC#CCCCC(=O)NC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC001228717290 1375651424 /nfs/dbraw/zinc/65/14/24/1375651424.db2.gz DRSRFDRENBETRM-UHFFFAOYSA-N 1 2 339.892 3.071 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC1CC[NH+]([C@H](C)c2nc(C(C)C)no2)CC1 ZINC001229015901 1375739498 /nfs/dbraw/zinc/73/94/98/1375739498.db2.gz CVKIHJBJDFNYAQ-KUHUBIRLSA-N 1 2 348.491 3.437 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3coc(C4CC4)n3)C[C@H]21 ZINC001188885003 1388399332 /nfs/dbraw/zinc/39/93/32/1388399332.db2.gz MTIGJUPZHBJOQN-QILLFSRXSA-N 1 2 343.471 3.187 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3coc(C4CC4)n3)C[C@H]21 ZINC001188885003 1388399336 /nfs/dbraw/zinc/39/93/36/1388399336.db2.gz MTIGJUPZHBJOQN-QILLFSRXSA-N 1 2 343.471 3.187 20 30 EGEDLO CC(C)[C@@H](C)C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001229435644 1375835061 /nfs/dbraw/zinc/83/50/61/1375835061.db2.gz INXUGWNBRWTYCZ-CQSZACIVSA-N 1 2 331.435 3.070 20 30 EGEDLO CC[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC001230806008 1376153914 /nfs/dbraw/zinc/15/39/14/1376153914.db2.gz BJYNLOQDTZECQI-QAPCUYQASA-N 1 2 332.875 3.270 20 30 EGEDLO CC[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001230806008 1376153929 /nfs/dbraw/zinc/15/39/29/1376153929.db2.gz BJYNLOQDTZECQI-QAPCUYQASA-N 1 2 332.875 3.270 20 30 EGEDLO C/C(=C/C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F)C1CC1 ZINC001230948194 1376185905 /nfs/dbraw/zinc/18/59/05/1376185905.db2.gz LQQNJJRJAPYHJZ-WAFIBAPDSA-N 1 2 341.430 3.086 20 30 EGEDLO C/C(=C/C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(C#N)ccc1F)C1CC1 ZINC001230948194 1376185910 /nfs/dbraw/zinc/18/59/10/1376185910.db2.gz LQQNJJRJAPYHJZ-WAFIBAPDSA-N 1 2 341.430 3.086 20 30 EGEDLO CC(C)C(=O)N1CC[NH+](Cc2ccccc2C#Cc2ccccc2)CC1 ZINC001231577892 1376268932 /nfs/dbraw/zinc/26/89/32/1376268932.db2.gz DSRDTHWWFDRWQO-UHFFFAOYSA-N 1 2 346.474 3.387 20 30 EGEDLO COc1cc(F)ccc1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001231604257 1376277645 /nfs/dbraw/zinc/27/76/45/1376277645.db2.gz WSWNTIMKNKEVEG-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)c(Cl)c2)Cc2ccccc21 ZINC001232118694 1376403979 /nfs/dbraw/zinc/40/39/79/1376403979.db2.gz OUXKMSZJMGILRS-KRWDZBQOSA-N 1 2 340.810 3.484 20 30 EGEDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)c(Cl)c2)Cc2ccccc21 ZINC001232118694 1376403985 /nfs/dbraw/zinc/40/39/85/1376403985.db2.gz OUXKMSZJMGILRS-KRWDZBQOSA-N 1 2 340.810 3.484 20 30 EGEDLO N#Cc1ccc(O)c(C[N@@H+]2CCc3nn(-c4ccccc4)cc3C2)c1 ZINC001232678863 1376500792 /nfs/dbraw/zinc/50/07/92/1376500792.db2.gz RTFJHEUSYZYFAH-UHFFFAOYSA-N 1 2 330.391 3.008 20 30 EGEDLO N#Cc1ccc(O)c(C[N@H+]2CCc3nn(-c4ccccc4)cc3C2)c1 ZINC001232678863 1376500798 /nfs/dbraw/zinc/50/07/98/1376500798.db2.gz RTFJHEUSYZYFAH-UHFFFAOYSA-N 1 2 330.391 3.008 20 30 EGEDLO COc1ccccc1O[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232679564 1376500810 /nfs/dbraw/zinc/50/08/10/1376500810.db2.gz NSTRXCOLDYGFKB-KRWDZBQOSA-N 1 2 338.407 3.316 20 30 EGEDLO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232679564 1376500817 /nfs/dbraw/zinc/50/08/17/1376500817.db2.gz NSTRXCOLDYGFKB-KRWDZBQOSA-N 1 2 338.407 3.316 20 30 EGEDLO COC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2O)cc1 ZINC001232681607 1376501502 /nfs/dbraw/zinc/50/15/02/1376501502.db2.gz TVPPFTJIHKMENS-GOSISDBHSA-N 1 2 336.391 3.388 20 30 EGEDLO COC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2cc(C#N)ccc2O)cc1 ZINC001232681607 1376501506 /nfs/dbraw/zinc/50/15/06/1376501506.db2.gz TVPPFTJIHKMENS-GOSISDBHSA-N 1 2 336.391 3.388 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001232890735 1376534258 /nfs/dbraw/zinc/53/42/58/1376534258.db2.gz MKSGXAZHGDTXSD-RBUKOAKNSA-N 1 2 330.403 3.023 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001232890735 1376534262 /nfs/dbraw/zinc/53/42/62/1376534262.db2.gz MKSGXAZHGDTXSD-RBUKOAKNSA-N 1 2 330.403 3.023 20 30 EGEDLO Cc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c(C#N)c1 ZINC001232963226 1376548525 /nfs/dbraw/zinc/54/85/25/1376548525.db2.gz CGEATSZDWUDCLC-QAPCUYQASA-N 1 2 341.455 3.308 20 30 EGEDLO Cc1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c(C#N)c1 ZINC001232963226 1376548527 /nfs/dbraw/zinc/54/85/27/1376548527.db2.gz CGEATSZDWUDCLC-QAPCUYQASA-N 1 2 341.455 3.308 20 30 EGEDLO CCC(=O)N(c1ccccc1)C1CC[NH+](Cc2[nH]ccc2C#N)CC1 ZINC001233042770 1376561090 /nfs/dbraw/zinc/56/10/90/1376561090.db2.gz FEGRJMRXGZDCJB-UHFFFAOYSA-N 1 2 336.439 3.294 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)CC(C)(C)C1CC1 ZINC001234113649 1376768245 /nfs/dbraw/zinc/76/82/45/1376768245.db2.gz XLHDRMOAQTUKEG-IBGZPJMESA-N 1 2 339.483 3.417 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)CC(C)(C)C1CC1 ZINC001234113649 1376768251 /nfs/dbraw/zinc/76/82/51/1376768251.db2.gz XLHDRMOAQTUKEG-IBGZPJMESA-N 1 2 339.483 3.417 20 30 EGEDLO CC1(C)CC=C(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC001135509111 1377123123 /nfs/dbraw/zinc/12/31/23/1377123123.db2.gz JURMMZJRZFVOHZ-UHFFFAOYSA-N 1 2 337.467 3.339 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nnsc1Cl ZINC001135561835 1377145579 /nfs/dbraw/zinc/14/55/79/1377145579.db2.gz UOARULGDFZMLLM-MNOVXSKESA-N 1 2 344.912 3.167 20 30 EGEDLO C[N@H+](CCNC(=O)C1CCC(C)(C)CC1)Cc1ccc(C#N)cc1F ZINC001266364774 1377296467 /nfs/dbraw/zinc/29/64/67/1377296467.db2.gz BBCAYAJXGXMMAZ-UHFFFAOYSA-N 1 2 345.462 3.462 20 30 EGEDLO C[N@@H+](CCNC(=O)C1CCC(C)(C)CC1)Cc1ccc(C#N)cc1F ZINC001266364774 1377296469 /nfs/dbraw/zinc/29/64/69/1377296469.db2.gz BBCAYAJXGXMMAZ-UHFFFAOYSA-N 1 2 345.462 3.462 20 30 EGEDLO N#CCOc1ccc(CN2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)cc1 ZINC001137123807 1377482126 /nfs/dbraw/zinc/48/21/26/1377482126.db2.gz FBIOIVLJWYJHGL-SFHVURJKSA-N 1 2 349.425 3.284 20 30 EGEDLO COc1nc2ccccc2cc1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001137202218 1377495906 /nfs/dbraw/zinc/49/59/06/1377495906.db2.gz BYUYOWUZPDPIGR-MRXNPFEDSA-N 1 2 326.421 3.018 20 30 EGEDLO COc1ccc(C[N@H+](C)Cc2cc(OC)cc(OC)c2)c(C#N)c1 ZINC001137703517 1377599677 /nfs/dbraw/zinc/59/96/77/1377599677.db2.gz NEPQBNIDFLZPDN-UHFFFAOYSA-N 1 2 326.396 3.216 20 30 EGEDLO COc1ccc(C[N@@H+](C)Cc2cc(OC)cc(OC)c2)c(C#N)c1 ZINC001137703517 1377599687 /nfs/dbraw/zinc/59/96/87/1377599687.db2.gz NEPQBNIDFLZPDN-UHFFFAOYSA-N 1 2 326.396 3.216 20 30 EGEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1OC ZINC001138346089 1377706308 /nfs/dbraw/zinc/70/63/08/1377706308.db2.gz XEMQKUKORGTGSH-NRFANRHFSA-N 1 2 337.419 3.281 20 30 EGEDLO C#CCOc1ccc(C[N@H+]2CCO[C@H](c3ccccc3)C2)cc1OC ZINC001138346089 1377706312 /nfs/dbraw/zinc/70/63/12/1377706312.db2.gz XEMQKUKORGTGSH-NRFANRHFSA-N 1 2 337.419 3.281 20 30 EGEDLO N#Cc1ccccc1OC1CN(Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC001138568736 1377744138 /nfs/dbraw/zinc/74/41/38/1377744138.db2.gz YZCXRVHLLQNODU-UHFFFAOYSA-N 1 2 344.418 3.066 20 30 EGEDLO C=CCc1cccc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)OC)c1O ZINC001138628349 1377756827 /nfs/dbraw/zinc/75/68/27/1377756827.db2.gz SMQGKJHOTYAOET-LJQANCHMSA-N 1 2 337.419 3.221 20 30 EGEDLO C=CCc1cccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)OC)c1O ZINC001138628349 1377756828 /nfs/dbraw/zinc/75/68/28/1377756828.db2.gz SMQGKJHOTYAOET-LJQANCHMSA-N 1 2 337.419 3.221 20 30 EGEDLO Cc1cnc(Cl)c(C[NH+]2CCN(c3cccc(C#N)c3)CC2)c1 ZINC001139592391 1377913939 /nfs/dbraw/zinc/91/39/39/1377913939.db2.gz PJBCARZDOPUNNF-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO CC(C)C(=O)N1CCC[C@]12CC[N@H+](Cc1cccc(Cl)c1C#N)C2 ZINC001139690722 1377935126 /nfs/dbraw/zinc/93/51/26/1377935126.db2.gz HKYIWUUDIKJNPU-LJQANCHMSA-N 1 2 345.874 3.435 20 30 EGEDLO CC(C)C(=O)N1CCC[C@]12CC[N@@H+](Cc1cccc(Cl)c1C#N)C2 ZINC001139690722 1377935127 /nfs/dbraw/zinc/93/51/27/1377935127.db2.gz HKYIWUUDIKJNPU-LJQANCHMSA-N 1 2 345.874 3.435 20 30 EGEDLO CC(C)C(=O)N1CCC[C@@]12CC[N@H+](Cc1cccc(Cl)c1C#N)C2 ZINC001139690721 1377935205 /nfs/dbraw/zinc/93/52/05/1377935205.db2.gz HKYIWUUDIKJNPU-IBGZPJMESA-N 1 2 345.874 3.435 20 30 EGEDLO CC(C)C(=O)N1CCC[C@@]12CC[N@@H+](Cc1cccc(Cl)c1C#N)C2 ZINC001139690721 1377935207 /nfs/dbraw/zinc/93/52/07/1377935207.db2.gz HKYIWUUDIKJNPU-IBGZPJMESA-N 1 2 345.874 3.435 20 30 EGEDLO N#Cc1c(Cl)cccc1C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC001139692617 1377936385 /nfs/dbraw/zinc/93/63/85/1377936385.db2.gz BDPIOFFXJJWBSP-UHFFFAOYSA-N 1 2 331.847 3.189 20 30 EGEDLO CC(C)(C)CC(=O)N1CC[NH+](Cc2c[nH]c3c2cccc3C#N)CC1 ZINC001139706972 1377938138 /nfs/dbraw/zinc/93/81/38/1377938138.db2.gz MBVRRVXGYCKWMO-UHFFFAOYSA-N 1 2 338.455 3.120 20 30 EGEDLO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)cc1C#N ZINC001139723759 1377941531 /nfs/dbraw/zinc/94/15/31/1377941531.db2.gz GUCVKSHRWQEYMW-QKNQBKEWSA-N 1 2 349.434 3.073 20 30 EGEDLO Cc1ccc(C[N@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)cc1C#N ZINC001139723759 1377941533 /nfs/dbraw/zinc/94/15/33/1377941533.db2.gz GUCVKSHRWQEYMW-QKNQBKEWSA-N 1 2 349.434 3.073 20 30 EGEDLO Cc1ccc(C[NH+]2CCN(Cc3c(F)cccc3F)CC2)cc1C#N ZINC001139725855 1377941938 /nfs/dbraw/zinc/94/19/38/1377941938.db2.gz GRUUXHKIBGVFDA-UHFFFAOYSA-N 1 2 341.405 3.463 20 30 EGEDLO C=CCn1cc(C[N@@H+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)cn1 ZINC001139772779 1377948497 /nfs/dbraw/zinc/94/84/97/1377948497.db2.gz QLZZPTPVMXMKOH-GOSISDBHSA-N 1 2 331.847 3.470 20 30 EGEDLO C=CCn1cc(C[N@H+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)cn1 ZINC001139772779 1377948505 /nfs/dbraw/zinc/94/85/05/1377948505.db2.gz QLZZPTPVMXMKOH-GOSISDBHSA-N 1 2 331.847 3.470 20 30 EGEDLO N#Cc1cc(F)cc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)c1 ZINC001139876782 1377969389 /nfs/dbraw/zinc/96/93/89/1377969389.db2.gz MEIMEDHVMPWIGG-DLBZAZTESA-N 1 2 341.411 3.139 20 30 EGEDLO N#Cc1cc(F)cc(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)c1 ZINC001139876782 1377969391 /nfs/dbraw/zinc/96/93/91/1377969391.db2.gz MEIMEDHVMPWIGG-DLBZAZTESA-N 1 2 341.411 3.139 20 30 EGEDLO COC(=O)CC[N@H+](Cc1ccco1)Cc1cc(C#N)ccc1Cl ZINC001140601204 1378095583 /nfs/dbraw/zinc/09/55/83/1378095583.db2.gz INYYVKUKJUYWDK-UHFFFAOYSA-N 1 2 332.787 3.370 20 30 EGEDLO COC(=O)CC[N@@H+](Cc1ccco1)Cc1cc(C#N)ccc1Cl ZINC001140601204 1378095587 /nfs/dbraw/zinc/09/55/87/1378095587.db2.gz INYYVKUKJUYWDK-UHFFFAOYSA-N 1 2 332.787 3.370 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3cc(C#N)ccc3Cl)C[C@H]21 ZINC001140604001 1378096263 /nfs/dbraw/zinc/09/62/63/1378096263.db2.gz MRLCCGZJSVVWSC-GDBMZVCRSA-N 1 2 347.846 3.263 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3cc(C#N)ccc3Cl)C[C@H]21 ZINC001140604001 1378096265 /nfs/dbraw/zinc/09/62/65/1378096265.db2.gz MRLCCGZJSVVWSC-GDBMZVCRSA-N 1 2 347.846 3.263 20 30 EGEDLO N#Cc1c(F)cc(C[NH+]2CCC(O)(c3ccccc3F)CC2)cc1F ZINC001140753366 1378129600 /nfs/dbraw/zinc/12/96/00/1378129600.db2.gz FKONWCCZLGCVGX-UHFFFAOYSA-N 1 2 346.352 3.459 20 30 EGEDLO CCc1noc(C2CC[NH+](Cc3cc(F)c(C#N)c(F)c3)CC2)n1 ZINC001140755261 1378130289 /nfs/dbraw/zinc/13/02/89/1378130289.db2.gz WXGPWJPWMZBDQC-UHFFFAOYSA-N 1 2 332.354 3.161 20 30 EGEDLO N#Cc1ccc(Br)c(C[NH+]2CC(c3cccnc3)C2)c1 ZINC001141662616 1378359334 /nfs/dbraw/zinc/35/93/34/1378359334.db2.gz UFDINTDEPHMYCT-UHFFFAOYSA-N 1 2 328.213 3.315 20 30 EGEDLO CC(C)(NC(=O)C[N@@H+]1CCc2sccc2C1)c1ccc(C#N)cc1 ZINC001142223740 1378422204 /nfs/dbraw/zinc/42/22/04/1378422204.db2.gz HWVBJZWHYXNMIO-UHFFFAOYSA-N 1 2 339.464 3.029 20 30 EGEDLO CC(C)(NC(=O)C[N@H+]1CCc2sccc2C1)c1ccc(C#N)cc1 ZINC001142223740 1378422205 /nfs/dbraw/zinc/42/22/05/1378422205.db2.gz HWVBJZWHYXNMIO-UHFFFAOYSA-N 1 2 339.464 3.029 20 30 EGEDLO CC(C)C[C@](C)(C#N)NC(=O)/C=C/c1ccc(Cn2cc[nH+]c2)cc1 ZINC001142373518 1378437148 /nfs/dbraw/zinc/43/71/48/1378437148.db2.gz DWYYVLHYDDMNHY-NDDJGDGRSA-N 1 2 336.439 3.389 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1cc(C)cc2cn[nH]c21 ZINC001281955834 1378463791 /nfs/dbraw/zinc/46/37/91/1378463791.db2.gz QSYCRXFOQYKGNS-HNNXBMFYSA-N 1 2 346.862 3.160 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cc(C)cc2cn[nH]c21 ZINC001281955834 1378463793 /nfs/dbraw/zinc/46/37/93/1378463793.db2.gz QSYCRXFOQYKGNS-HNNXBMFYSA-N 1 2 346.862 3.160 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1cc(C)cc2c[nH]nc21 ZINC001281955834 1378463795 /nfs/dbraw/zinc/46/37/95/1378463795.db2.gz QSYCRXFOQYKGNS-HNNXBMFYSA-N 1 2 346.862 3.160 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cc(C)cc2c[nH]nc21 ZINC001281955834 1378463797 /nfs/dbraw/zinc/46/37/97/1378463797.db2.gz QSYCRXFOQYKGNS-HNNXBMFYSA-N 1 2 346.862 3.160 20 30 EGEDLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001143435511 1378596306 /nfs/dbraw/zinc/59/63/06/1378596306.db2.gz DBKJEIGCMVUYCW-NSHDSACASA-N 1 2 347.230 3.223 20 30 EGEDLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001143435511 1378596312 /nfs/dbraw/zinc/59/63/12/1378596312.db2.gz DBKJEIGCMVUYCW-NSHDSACASA-N 1 2 347.230 3.223 20 30 EGEDLO C#CC[NH+](CC#C)Cc1cc(Br)cc(OC(F)(F)F)c1 ZINC001144016847 1378671375 /nfs/dbraw/zinc/67/13/75/1378671375.db2.gz HROIJWWRUHBXND-UHFFFAOYSA-N 1 2 346.146 3.416 20 30 EGEDLO N#CCC[N@@H+](Cc1cc(I)c[nH]1)C1CCCC1 ZINC001144404203 1378727016 /nfs/dbraw/zinc/72/70/16/1378727016.db2.gz UQRVJXUOGXMAII-UHFFFAOYSA-N 1 2 343.212 3.278 20 30 EGEDLO N#CCC[N@H+](Cc1cc(I)c[nH]1)C1CCCC1 ZINC001144404203 1378727020 /nfs/dbraw/zinc/72/70/20/1378727020.db2.gz UQRVJXUOGXMAII-UHFFFAOYSA-N 1 2 343.212 3.278 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)CCCCC)C2)C1 ZINC001147008931 1378954713 /nfs/dbraw/zinc/95/47/13/1378954713.db2.gz DTIDIVOTNPVWSJ-UHFFFAOYSA-N 1 2 329.282 3.010 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)CCCCC)C2)C1 ZINC001147008931 1378954718 /nfs/dbraw/zinc/95/47/18/1378954718.db2.gz DTIDIVOTNPVWSJ-UHFFFAOYSA-N 1 2 329.282 3.010 20 30 EGEDLO C#CCC1(C(=O)N2CC3(C2)CC[N@@H+](C/C(Cl)=C\Cl)C3)CCC1 ZINC001147711163 1379063477 /nfs/dbraw/zinc/06/34/77/1379063477.db2.gz HMVJUUXLBWCQQM-NTEUORMPSA-N 1 2 341.282 3.033 20 30 EGEDLO C#CCC1(C(=O)N2CC3(C2)CC[N@H+](C/C(Cl)=C\Cl)C3)CCC1 ZINC001147711163 1379063481 /nfs/dbraw/zinc/06/34/81/1379063481.db2.gz HMVJUUXLBWCQQM-NTEUORMPSA-N 1 2 341.282 3.033 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nnc(C)s1)C2 ZINC001148146486 1379124619 /nfs/dbraw/zinc/12/46/19/1379124619.db2.gz DVXOSPGRFPEVJH-KBPBESRZSA-N 1 2 348.516 3.044 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nnc(C)s1)C2 ZINC001148146486 1379124621 /nfs/dbraw/zinc/12/46/21/1379124621.db2.gz DVXOSPGRFPEVJH-KBPBESRZSA-N 1 2 348.516 3.044 20 30 EGEDLO CCCCCCCCC(=O)NCC[NH2+]Cc1nc(CCCC)no1 ZINC001148727841 1379254898 /nfs/dbraw/zinc/25/48/98/1379254898.db2.gz NUBZNZHHFHLZEH-UHFFFAOYSA-N 1 2 338.496 3.369 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2(C(F)(F)F)CCC2)[C@H]1C ZINC001284127417 1379502557 /nfs/dbraw/zinc/50/25/57/1379502557.db2.gz AOSSRCOSWXFSEM-NEPJUHHUSA-N 1 2 338.801 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2(C(F)(F)F)CCC2)[C@H]1C ZINC001284127417 1379502560 /nfs/dbraw/zinc/50/25/60/1379502560.db2.gz AOSSRCOSWXFSEM-NEPJUHHUSA-N 1 2 338.801 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C[C@@H](C)CC(C)C)C1 ZINC001150573130 1379571854 /nfs/dbraw/zinc/57/18/54/1379571854.db2.gz ZMLZPVAANHDJHU-GOEBONIOSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C[C@@H](C)CC(C)C)C1 ZINC001150573130 1379571856 /nfs/dbraw/zinc/57/18/56/1379571856.db2.gz ZMLZPVAANHDJHU-GOEBONIOSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C[C@H](CC)C(C)C)C1 ZINC001150613100 1379578748 /nfs/dbraw/zinc/57/87/48/1379578748.db2.gz IDMDMQJVPXZFJR-HOTGVXAUSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C[C@H](CC)C(C)C)C1 ZINC001150613100 1379578744 /nfs/dbraw/zinc/57/87/44/1379578744.db2.gz IDMDMQJVPXZFJR-HOTGVXAUSA-N 1 2 330.900 3.018 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@@H](C)C1CC1 ZINC001152636345 1379960272 /nfs/dbraw/zinc/96/02/72/1379960272.db2.gz IYBHUOHJMKKPSJ-KGLIPLIRSA-N 1 2 331.435 3.070 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@@H](C)C1CC1 ZINC001152636345 1379960273 /nfs/dbraw/zinc/96/02/73/1379960273.db2.gz IYBHUOHJMKKPSJ-KGLIPLIRSA-N 1 2 331.435 3.070 20 30 EGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2csc(C#N)c2)CC1 ZINC001328001009 1388642876 /nfs/dbraw/zinc/64/28/76/1388642876.db2.gz LBROVYUTQPSEIY-LBPRGKRZSA-N 1 2 331.466 3.200 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@]12C[C@H]1CCC2 ZINC001154396661 1380269531 /nfs/dbraw/zinc/26/95/31/1380269531.db2.gz QBIQZEHQOPFSHH-WIBUTAKZSA-N 1 2 343.446 3.214 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@]12C[C@H]1CCC2 ZINC001154396661 1380269533 /nfs/dbraw/zinc/26/95/33/1380269533.db2.gz QBIQZEHQOPFSHH-WIBUTAKZSA-N 1 2 343.446 3.214 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1coc(C2CC2)n1 ZINC001154747209 1380344462 /nfs/dbraw/zinc/34/44/62/1380344462.db2.gz KJFULWSDZGBGJX-OAHLLOKOSA-N 1 2 331.460 3.072 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1coc(C2CC2)n1 ZINC001154747209 1380344464 /nfs/dbraw/zinc/34/44/64/1380344464.db2.gz KJFULWSDZGBGJX-OAHLLOKOSA-N 1 2 331.460 3.072 20 30 EGEDLO N#Cc1ccc2cc[nH+]c(N3CCCc4cc(O)c(O)cc4C3)c2c1 ZINC001155941205 1380506792 /nfs/dbraw/zinc/50/67/92/1380506792.db2.gz KFVQXGBFMUYYEY-UHFFFAOYSA-N 1 2 331.375 3.470 20 30 EGEDLO C=CCOc1cc(C)nc(N(C)Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC001156784694 1380635298 /nfs/dbraw/zinc/63/52/98/1380635298.db2.gz RMDWQHLFDALLBG-UHFFFAOYSA-N 1 2 335.411 3.172 20 30 EGEDLO N#Cc1c(Cl)c2ccccc2nc1N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001157585456 1380972068 /nfs/dbraw/zinc/97/20/68/1380972068.db2.gz KOCWZRRSVVSDGQ-GFCCVEGCSA-N 1 2 342.830 3.035 20 30 EGEDLO N#Cc1c(Cl)c2ccccc2nc1N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001157585456 1380972069 /nfs/dbraw/zinc/97/20/69/1380972069.db2.gz KOCWZRRSVVSDGQ-GFCCVEGCSA-N 1 2 342.830 3.035 20 30 EGEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccncc1Cl ZINC001157885205 1381060545 /nfs/dbraw/zinc/06/05/45/1381060545.db2.gz RSVSIICCWDVWKC-QGZVFWFLSA-N 1 2 347.890 3.351 20 30 EGEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccncc1Cl ZINC001157885205 1381060550 /nfs/dbraw/zinc/06/05/50/1381060550.db2.gz RSVSIICCWDVWKC-QGZVFWFLSA-N 1 2 347.890 3.351 20 30 EGEDLO CC(C)C#CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1c(F)cccc1F ZINC001157940353 1381076578 /nfs/dbraw/zinc/07/65/78/1381076578.db2.gz WBXJKYJLOYLBHT-MRXNPFEDSA-N 1 2 348.437 3.437 20 30 EGEDLO CC(C)C#CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1c(F)cccc1F ZINC001157940353 1381076579 /nfs/dbraw/zinc/07/65/79/1381076579.db2.gz WBXJKYJLOYLBHT-MRXNPFEDSA-N 1 2 348.437 3.437 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@H](C)c1nnc(C)o1 ZINC001158011874 1381101942 /nfs/dbraw/zinc/10/19/42/1381101942.db2.gz SPKBTQUNUWICMD-GDBMZVCRSA-N 1 2 334.464 3.108 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@H](C)c1nnc(C)o1 ZINC001158011874 1381101947 /nfs/dbraw/zinc/10/19/47/1381101947.db2.gz SPKBTQUNUWICMD-GDBMZVCRSA-N 1 2 334.464 3.108 20 30 EGEDLO N#CCc1cnc(N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)c(Cl)c1 ZINC001158627545 1381328496 /nfs/dbraw/zinc/32/84/96/1381328496.db2.gz GGCMIQOAJLBEIR-CQSZACIVSA-N 1 2 340.805 3.111 20 30 EGEDLO COC(=O)/C=C/c1cc(C)c[nH+]c1NCc1ccc(C#N)c(F)c1 ZINC001159084334 1381568498 /nfs/dbraw/zinc/56/84/98/1381568498.db2.gz JECXTXJWDPLFSN-AATRIKPKSA-N 1 2 325.343 3.199 20 30 EGEDLO CCOC(=O)c1cc2cc[nH+]c(NCc3ccc(C#N)s3)c2[nH]1 ZINC001159174205 1381714387 /nfs/dbraw/zinc/71/43/87/1381714387.db2.gz SKNJCQQFAHHUEW-UHFFFAOYSA-N 1 2 326.381 3.285 20 30 EGEDLO C=C(C)CCC(=O)NCCC1=CC[N@H+]([C@@H](C)c2nnc(C)s2)CC1 ZINC001160264637 1382054705 /nfs/dbraw/zinc/05/47/05/1382054705.db2.gz VKIRGQNLHGHACW-AWEZNQCLSA-N 1 2 348.516 3.402 20 30 EGEDLO C=C(C)CCC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nnc(C)s2)CC1 ZINC001160264637 1382054709 /nfs/dbraw/zinc/05/47/09/1382054709.db2.gz VKIRGQNLHGHACW-AWEZNQCLSA-N 1 2 348.516 3.402 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2nccs2)CC1 ZINC001160940834 1382243590 /nfs/dbraw/zinc/24/35/90/1382243590.db2.gz GOGSICLNTUITNR-GJZGRUSLSA-N 1 2 333.501 3.240 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2nccs2)CC1 ZINC001160940834 1382243591 /nfs/dbraw/zinc/24/35/91/1382243591.db2.gz GOGSICLNTUITNR-GJZGRUSLSA-N 1 2 333.501 3.240 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@H+](Cc2ncc(CC)o2)CC1 ZINC001160960884 1382251874 /nfs/dbraw/zinc/25/18/74/1382251874.db2.gz AVBZQGPAIXOZTA-MRXNPFEDSA-N 1 2 345.487 3.478 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@@H+](Cc2ncc(CC)o2)CC1 ZINC001160960884 1382251879 /nfs/dbraw/zinc/25/18/79/1382251879.db2.gz AVBZQGPAIXOZTA-MRXNPFEDSA-N 1 2 345.487 3.478 20 30 EGEDLO CC(C)n1c[nH+]cc1CNC(F)(F)c1cc(Cl)nc(C#N)c1 ZINC001161566023 1382441318 /nfs/dbraw/zinc/44/13/18/1382441318.db2.gz YVFOKRRUGNGRPB-UHFFFAOYSA-N 1 2 325.750 3.223 20 30 EGEDLO CC(C)n1c[nH+]cc1CNC(F)(F)c1cnc(Cl)cc1C#N ZINC001161569859 1382441697 /nfs/dbraw/zinc/44/16/97/1382441697.db2.gz RSINEUJGKDYWON-UHFFFAOYSA-N 1 2 325.750 3.223 20 30 EGEDLO ON=C(Nc1cccn2cc[nH+]c12)c1ccc(OC(F)(F)F)cc1 ZINC001163765872 1383119876 /nfs/dbraw/zinc/11/98/76/1383119876.db2.gz LXSHRBGONFVSEP-UHFFFAOYSA-N 1 2 336.273 3.481 20 30 EGEDLO N#Cc1ccc2c(c1)CCN2C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC001299233607 1383490657 /nfs/dbraw/zinc/49/06/57/1383490657.db2.gz WAGQKNRCGFSECR-GOSISDBHSA-N 1 2 342.402 3.393 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1(C[NH2+]Cc2noc(C(C)C)n2)CC1 ZINC001167340072 1383603371 /nfs/dbraw/zinc/60/33/71/1383603371.db2.gz UFISXMOAWDGJIB-UHFFFAOYSA-N 1 2 348.491 3.171 20 30 EGEDLO N#Cc1cccc2c1CCN2C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC001299662415 1383603643 /nfs/dbraw/zinc/60/36/43/1383603643.db2.gz ADLFYVOQLFJDOB-SFHVURJKSA-N 1 2 342.402 3.393 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@H](C#N)C2)C[C@H]1C(F)(F)F ZINC001168562096 1383937376 /nfs/dbraw/zinc/93/73/76/1383937376.db2.gz WTVAESKYZQVPCV-AGIUHOORSA-N 1 2 347.381 3.162 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@H](C#N)C2)C[C@H]1C(F)(F)F ZINC001168562096 1383937379 /nfs/dbraw/zinc/93/73/79/1383937379.db2.gz WTVAESKYZQVPCV-AGIUHOORSA-N 1 2 347.381 3.162 20 30 EGEDLO C=C[C@@H]1C[C@@]1([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(=O)OCC ZINC001170364637 1384301321 /nfs/dbraw/zinc/30/13/21/1384301321.db2.gz BMVOBYQAUOLUDE-RWCFQUGRSA-N 1 2 338.451 3.488 20 30 EGEDLO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H]1N(C)C(=O)OC(C)(C)C ZINC001172311777 1384766019 /nfs/dbraw/zinc/76/60/19/1384766019.db2.gz XURCPMMEXPRHBH-PBHICJAKSA-N 1 2 329.444 3.388 20 30 EGEDLO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H]1N(C)C(=O)OC(C)(C)C ZINC001172311777 1384766020 /nfs/dbraw/zinc/76/60/20/1384766020.db2.gz XURCPMMEXPRHBH-PBHICJAKSA-N 1 2 329.444 3.388 20 30 EGEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H]1N(C)C(=O)OC(C)(C)C ZINC001172311780 1384766159 /nfs/dbraw/zinc/76/61/59/1384766159.db2.gz XURCPMMEXPRHBH-YOEHRIQHSA-N 1 2 329.444 3.388 20 30 EGEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H]1N(C)C(=O)OC(C)(C)C ZINC001172311780 1384766164 /nfs/dbraw/zinc/76/61/64/1384766164.db2.gz XURCPMMEXPRHBH-YOEHRIQHSA-N 1 2 329.444 3.388 20 30 EGEDLO CCOC(=O)[C@@H]1c2ccc(OC)cc2CC[N@@H+]1[C@H](C)CCCC#N ZINC001172506077 1384806605 /nfs/dbraw/zinc/80/66/05/1384806605.db2.gz NBZWLMGUXJYJAQ-KDOFPFPSSA-N 1 2 330.428 3.240 20 30 EGEDLO CCOC(=O)[C@@H]1c2ccc(OC)cc2CC[N@H+]1[C@H](C)CCCC#N ZINC001172506077 1384806608 /nfs/dbraw/zinc/80/66/08/1384806608.db2.gz NBZWLMGUXJYJAQ-KDOFPFPSSA-N 1 2 330.428 3.240 20 30 EGEDLO CC[C@@H](C#N)[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172520980 1384808311 /nfs/dbraw/zinc/80/83/11/1384808311.db2.gz SHKANBPAEMPZFL-CADBVGFASA-N 1 2 325.456 3.209 20 30 EGEDLO C=CC[C@@H]([NH2+][C@H](C)Cc1ccc(OC(F)(F)F)cc1)C(=O)OC ZINC001173074463 1384907346 /nfs/dbraw/zinc/90/73/46/1384907346.db2.gz FMTFLMMASKJLFM-BXUZGUMPSA-N 1 2 331.334 3.224 20 30 EGEDLO C=CCCCCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccs3)C[C@H]21 ZINC001176886633 1385731824 /nfs/dbraw/zinc/73/18/24/1385731824.db2.gz FGKAUTDNYAIYEW-SJORKVTESA-N 1 2 348.512 3.410 20 30 EGEDLO C=CCCCCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccs3)C[C@H]21 ZINC001176886633 1385731826 /nfs/dbraw/zinc/73/18/26/1385731826.db2.gz FGKAUTDNYAIYEW-SJORKVTESA-N 1 2 348.512 3.410 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@@H+](Cc3cc(C)cc(C)c3)[C@H]2C1 ZINC001176948894 1385753112 /nfs/dbraw/zinc/75/31/12/1385753112.db2.gz GNHGCLGIGHZXME-PMACEKPBSA-N 1 2 342.483 3.071 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@H+](Cc3cc(C)cc(C)c3)[C@H]2C1 ZINC001176948894 1385753116 /nfs/dbraw/zinc/75/31/16/1385753116.db2.gz GNHGCLGIGHZXME-PMACEKPBSA-N 1 2 342.483 3.071 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]2OCC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001177107268 1385815330 /nfs/dbraw/zinc/81/53/30/1385815330.db2.gz PJVIFYNGFZJCPK-MOPGFXCFSA-N 1 2 342.483 3.091 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]2OCC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001177107268 1385815339 /nfs/dbraw/zinc/81/53/39/1385815339.db2.gz PJVIFYNGFZJCPK-MOPGFXCFSA-N 1 2 342.483 3.091 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([NH2+]Cc2nnc(C(C)(C)C)o2)[C@@H]1C ZINC001178791419 1386305760 /nfs/dbraw/zinc/30/57/60/1386305760.db2.gz AQUFLNWPNORTOT-KBPBESRZSA-N 1 2 348.491 3.048 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([NH2+]Cc2nc(C(C)(C)C)no2)[C@@H]1C ZINC001179384362 1386469221 /nfs/dbraw/zinc/46/92/21/1386469221.db2.gz KJSPZSMVONUJQO-ZNMIVQPWSA-N 1 2 348.491 3.048 20 30 EGEDLO C[C@@H](C#N)C(=O)N1CC[NH+]=C1CN(Cc1ccccc1)c1ccccc1 ZINC001179901380 1386622219 /nfs/dbraw/zinc/62/22/19/1386622219.db2.gz LQUMXAYLJQWAFC-KRWDZBQOSA-N 1 2 346.434 3.094 20 30 EGEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cccc(C#N)c1C ZINC001321396960 1386894316 /nfs/dbraw/zinc/89/43/16/1386894316.db2.gz WVEYDPAEZHBUDP-UHFFFAOYSA-N 1 2 349.434 3.260 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc(N(CC)CC)cc1 ZINC001322285415 1387140521 /nfs/dbraw/zinc/14/05/21/1387140521.db2.gz MDHVYPBDURJTOY-HNNXBMFYSA-N 1 2 337.895 3.335 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(N(CC)CC)cc1 ZINC001322285415 1387140523 /nfs/dbraw/zinc/14/05/23/1387140523.db2.gz MDHVYPBDURJTOY-HNNXBMFYSA-N 1 2 337.895 3.335 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1c[nH]c2cccc(C)c12 ZINC001329592400 1389171840 /nfs/dbraw/zinc/17/18/40/1389171840.db2.gz OKXIYUIUZTWANM-CQSZACIVSA-N 1 2 333.863 3.208 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1c[nH]c2cccc(C)c12 ZINC001329592400 1389171843 /nfs/dbraw/zinc/17/18/43/1389171843.db2.gz OKXIYUIUZTWANM-CQSZACIVSA-N 1 2 333.863 3.208 20 30 EGEDLO N#CCc1ccc(C(=O)N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)cc1 ZINC001337378701 1389324419 /nfs/dbraw/zinc/32/44/19/1389324419.db2.gz RHLQXLHFQLARLD-SFHVURJKSA-N 1 2 339.826 3.193 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)[C@@H](C)CCSC ZINC001338895718 1389809631 /nfs/dbraw/zinc/80/96/31/1389809631.db2.gz LBHHPOSZFDMTQS-GJZGRUSLSA-N 1 2 337.537 3.199 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)[C@@H](C)CCSC ZINC001338895718 1389809636 /nfs/dbraw/zinc/80/96/36/1389809636.db2.gz LBHHPOSZFDMTQS-GJZGRUSLSA-N 1 2 337.537 3.199 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)[C@H](C)CCSC ZINC001338895714 1389809991 /nfs/dbraw/zinc/80/99/91/1389809991.db2.gz LBHHPOSZFDMTQS-CABCVRRESA-N 1 2 337.537 3.199 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)[C@H](C)CCSC ZINC001338895714 1389809997 /nfs/dbraw/zinc/80/99/97/1389809997.db2.gz LBHHPOSZFDMTQS-CABCVRRESA-N 1 2 337.537 3.199 20 30 EGEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(CC)[C@@H](C)CC ZINC001340628199 1390331820 /nfs/dbraw/zinc/33/18/20/1390331820.db2.gz WLYNBURKGGDQGJ-INIZCTEOSA-N 1 2 344.507 3.182 20 30 EGEDLO C=C(C)Cn1c(CCC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001342064936 1390567126 /nfs/dbraw/zinc/56/71/26/1390567126.db2.gz IQEHLWDABDCMKX-UHFFFAOYSA-N 1 2 340.475 3.283 20 30 EGEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(CCC)CCC ZINC001342306581 1390598770 /nfs/dbraw/zinc/59/87/70/1390598770.db2.gz SHEGBDVMUVOPGI-UHFFFAOYSA-N 1 2 344.507 3.184 20 30 EGEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H]1[C@@H](C)CCC ZINC001342415456 1390610723 /nfs/dbraw/zinc/61/07/23/1390610723.db2.gz KOGQASPOZMWROY-JKSUJKDBSA-N 1 2 342.491 3.193 20 30 EGEDLO C=C(C)CN(C)c1nnc([C@@H]2CCCC[N@@H+]2C)n1C[C@@H]1CCCCO1 ZINC001345581098 1390866868 /nfs/dbraw/zinc/86/68/68/1390866868.db2.gz GDDKIRHSBQCENP-IRXDYDNUSA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)CN(C)c1nnc([C@@H]2CCCC[N@H+]2C)n1C[C@@H]1CCCCO1 ZINC001345581098 1390866870 /nfs/dbraw/zinc/86/68/70/1390866870.db2.gz GDDKIRHSBQCENP-IRXDYDNUSA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)CN(C)c1nnc([C@@H]2CCCC[N@@H+]2C)n1C[C@H]1CCCCO1 ZINC001345581099 1390866956 /nfs/dbraw/zinc/86/69/56/1390866956.db2.gz GDDKIRHSBQCENP-SJORKVTESA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)CN(C)c1nnc([C@@H]2CCCC[N@H+]2C)n1C[C@H]1CCCCO1 ZINC001345581099 1390866958 /nfs/dbraw/zinc/86/69/58/1390866958.db2.gz GDDKIRHSBQCENP-SJORKVTESA-N 1 2 347.507 3.016 20 30 EGEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC(CC)(CC)CC1 ZINC001352093141 1391758113 /nfs/dbraw/zinc/75/81/13/1391758113.db2.gz HBXJXOFBPNNLNU-UHFFFAOYSA-N 1 2 342.491 3.195 20 30 EGEDLO Cc1ccc(C(=O)NCC[N@@H+](C)Cc2cc(C#N)ccc2F)c(F)c1 ZINC001480918265 1393019811 /nfs/dbraw/zinc/01/98/11/1393019811.db2.gz ZKKWWKNKBKHCGV-UHFFFAOYSA-N 1 2 343.377 3.007 20 30 EGEDLO Cc1ccc(C(=O)NCC[N@H+](C)Cc2cc(C#N)ccc2F)c(F)c1 ZINC001480918265 1393019815 /nfs/dbraw/zinc/01/98/15/1393019815.db2.gz ZKKWWKNKBKHCGV-UHFFFAOYSA-N 1 2 343.377 3.007 20 30 EGEDLO CCCc1occc1C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001480936145 1393031942 /nfs/dbraw/zinc/03/19/42/1393031942.db2.gz XJVYNIIYYIMIMF-UHFFFAOYSA-N 1 2 343.402 3.105 20 30 EGEDLO CCCc1occc1C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001480936145 1393031944 /nfs/dbraw/zinc/03/19/44/1393031944.db2.gz XJVYNIIYYIMIMF-UHFFFAOYSA-N 1 2 343.402 3.105 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC12CCCC2 ZINC001484764357 1395518659 /nfs/dbraw/zinc/51/86/59/1395518659.db2.gz GMYZDVBBHIEVBC-AWEZNQCLSA-N 1 2 343.309 3.256 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CC12CCCC2 ZINC001484764357 1395518660 /nfs/dbraw/zinc/51/86/60/1395518660.db2.gz GMYZDVBBHIEVBC-AWEZNQCLSA-N 1 2 343.309 3.256 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2ccc(C)c(Cl)c2)C1 ZINC001485511697 1395991102 /nfs/dbraw/zinc/99/11/02/1395991102.db2.gz KVNHOUZZJZNSIA-ZDUSSCGKSA-N 1 2 341.282 3.380 20 30 EGEDLO CC(C)N(CC[N@H+](C)Cc1ccccc1C#N)C(=O)[C@H]1CC1(C)C ZINC001486365921 1396194066 /nfs/dbraw/zinc/19/40/66/1396194066.db2.gz BSWSXWPAQZHCJH-GOSISDBHSA-N 1 2 327.472 3.273 20 30 EGEDLO CC(C)N(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)[C@H]1CC1(C)C ZINC001486365921 1396194068 /nfs/dbraw/zinc/19/40/68/1396194068.db2.gz BSWSXWPAQZHCJH-GOSISDBHSA-N 1 2 327.472 3.273 20 30 EGEDLO C[C@H](C#N)C(=O)NCC1C[NH+]([C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC001494537506 1396460840 /nfs/dbraw/zinc/46/08/40/1396460840.db2.gz FUQYHUTVTCFUAP-MNOVXSKESA-N 1 2 340.254 3.262 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](CC)Cc2cccc(C)c2)C1 ZINC001494598725 1396483362 /nfs/dbraw/zinc/48/33/62/1396483362.db2.gz LVAOCWJEPNCPOS-SFHVURJKSA-N 1 2 334.891 3.364 20 30 EGEDLO CCC(=CC(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1)CC ZINC001690087547 1404293302 /nfs/dbraw/zinc/29/33/02/1404293302.db2.gz BLEUQUFJPITIOV-KRWDZBQOSA-N 1 2 329.419 3.134 20 30 EGEDLO CCC(=CC(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1)CC ZINC001690087547 1404293305 /nfs/dbraw/zinc/29/33/05/1404293305.db2.gz BLEUQUFJPITIOV-KRWDZBQOSA-N 1 2 329.419 3.134 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F)C(=O)CCC1(C)CC1 ZINC001691411008 1405249488 /nfs/dbraw/zinc/24/94/88/1405249488.db2.gz XOEBVFJQLNCUTK-KRWDZBQOSA-N 1 2 343.446 3.310 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1cc(C#N)ccc1F)C(=O)CCC1(C)CC1 ZINC001691411008 1405249492 /nfs/dbraw/zinc/24/94/92/1405249492.db2.gz XOEBVFJQLNCUTK-KRWDZBQOSA-N 1 2 343.446 3.310 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CCCc2csc(C)n2)C1 ZINC001732159072 1428402628 /nfs/dbraw/zinc/40/26/28/1428402628.db2.gz HZKZARMBHXTPRP-HNNXBMFYSA-N 1 2 341.908 3.059 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CCCc2csc(C)n2)C1 ZINC001732159072 1428402630 /nfs/dbraw/zinc/40/26/30/1428402630.db2.gz HZKZARMBHXTPRP-HNNXBMFYSA-N 1 2 341.908 3.059 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1c(C)oc2ccccc21 ZINC001699475368 1412868044 /nfs/dbraw/zinc/86/80/44/1412868044.db2.gz CURWFMWFJFVELX-CYBMUJFWSA-N 1 2 334.847 3.473 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1c(C)oc2ccccc21 ZINC001699475368 1412868048 /nfs/dbraw/zinc/86/80/48/1412868048.db2.gz CURWFMWFJFVELX-CYBMUJFWSA-N 1 2 334.847 3.473 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccnc(O[C@@H](C)CC)c1 ZINC001732594708 1428826907 /nfs/dbraw/zinc/82/69/07/1428826907.db2.gz LTXKHRPGIRCEPI-AWEZNQCLSA-N 1 2 339.867 3.015 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccnc(O[C@@H](C)CC)c1 ZINC001732594708 1428826911 /nfs/dbraw/zinc/82/69/11/1428826911.db2.gz LTXKHRPGIRCEPI-AWEZNQCLSA-N 1 2 339.867 3.015 20 30 EGEDLO CCCC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)CC1 ZINC001707051453 1417164878 /nfs/dbraw/zinc/16/48/78/1417164878.db2.gz NUXAKILFIZQTPD-AWEZNQCLSA-N 1 2 331.485 3.233 20 30 EGEDLO CCCC1(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)CC1 ZINC001707051453 1417164882 /nfs/dbraw/zinc/16/48/82/1417164882.db2.gz NUXAKILFIZQTPD-AWEZNQCLSA-N 1 2 331.485 3.233 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC001713080331 1417627182 /nfs/dbraw/zinc/62/71/82/1417627182.db2.gz DLFGMEURMTVWNX-CQSZACIVSA-N 1 2 343.402 3.137 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC001713080331 1417627184 /nfs/dbraw/zinc/62/71/84/1417627184.db2.gz DLFGMEURMTVWNX-CQSZACIVSA-N 1 2 343.402 3.137 20 30 EGEDLO CCCC(CCC)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001713085697 1417632325 /nfs/dbraw/zinc/63/23/25/1417632325.db2.gz AHLHGDDXZKWRGD-IBGZPJMESA-N 1 2 327.472 3.465 20 30 EGEDLO CCCC(CCC)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001713085697 1417632326 /nfs/dbraw/zinc/63/23/26/1417632326.db2.gz AHLHGDDXZKWRGD-IBGZPJMESA-N 1 2 327.472 3.465 20 30 EGEDLO Cc1coc(C)c1C(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1 ZINC001713556747 1418349202 /nfs/dbraw/zinc/34/92/02/1418349202.db2.gz YTNFHQQLHFJGIB-UHFFFAOYSA-N 1 2 337.423 3.163 20 30 EGEDLO Cc1coc(C)c1C(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1 ZINC001713556747 1418349206 /nfs/dbraw/zinc/34/92/06/1418349206.db2.gz YTNFHQQLHFJGIB-UHFFFAOYSA-N 1 2 337.423 3.163 20 30 EGEDLO CC(C)(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001713780290 1418595853 /nfs/dbraw/zinc/59/58/53/1418595853.db2.gz QQDYJDKJSNPSQB-MRXNPFEDSA-N 1 2 331.435 3.214 20 30 EGEDLO CC(C)(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001713780290 1418595854 /nfs/dbraw/zinc/59/58/54/1418595854.db2.gz QQDYJDKJSNPSQB-MRXNPFEDSA-N 1 2 331.435 3.214 20 30 EGEDLO CC[C@@H](F)C(=O)N[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001713786806 1418603959 /nfs/dbraw/zinc/60/39/59/1418603959.db2.gz XJMOPDPCBRDMEF-IAGOWNOFSA-N 1 2 336.838 3.020 20 30 EGEDLO CC[C@@H](F)C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001713786806 1418603960 /nfs/dbraw/zinc/60/39/60/1418603960.db2.gz XJMOPDPCBRDMEF-IAGOWNOFSA-N 1 2 336.838 3.020 20 30 EGEDLO CC[C@@H](C)CCC(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001713921462 1418715255 /nfs/dbraw/zinc/71/52/55/1418715255.db2.gz KNSXIBBBFCVJHF-CQSZACIVSA-N 1 2 331.435 3.072 20 30 EGEDLO CCC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1csc(C2CCCC2)n1 ZINC001714645192 1419419174 /nfs/dbraw/zinc/41/91/74/1419419174.db2.gz LJXXXVDRFIWPGE-CQSZACIVSA-N 1 2 348.516 3.289 20 30 EGEDLO CCC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1csc(C2CCCC2)n1 ZINC001714645192 1419419177 /nfs/dbraw/zinc/41/91/77/1419419177.db2.gz LJXXXVDRFIWPGE-CQSZACIVSA-N 1 2 348.516 3.289 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CCC)C(=O)CC2(C)CC2)C1 ZINC001714856092 1419572679 /nfs/dbraw/zinc/57/26/79/1419572679.db2.gz OCWLJSVLISCULN-CQSZACIVSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CCC)C(=O)CC2(C)CC2)C1 ZINC001714856092 1419572682 /nfs/dbraw/zinc/57/26/82/1419572682.db2.gz OCWLJSVLISCULN-CQSZACIVSA-N 1 2 343.309 3.398 20 30 EGEDLO CCC(CC)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001714923475 1419676431 /nfs/dbraw/zinc/67/64/31/1419676431.db2.gz ZVUUTCHNJSLVMF-KRWDZBQOSA-N 1 2 331.435 3.214 20 30 EGEDLO CCC(CC)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001714923475 1419676435 /nfs/dbraw/zinc/67/64/35/1419676435.db2.gz ZVUUTCHNJSLVMF-KRWDZBQOSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](CC)Cc2ccccc2C)C1 ZINC001714977644 1419712195 /nfs/dbraw/zinc/71/21/95/1419712195.db2.gz NAIPICZDJFMMJW-KRWDZBQOSA-N 1 2 334.891 3.364 20 30 EGEDLO CC[C@H](C)CCC(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001715532411 1420223611 /nfs/dbraw/zinc/22/36/11/1420223611.db2.gz CRTSLDRGTJFMLT-HNNXBMFYSA-N 1 2 333.451 3.414 20 30 EGEDLO CC[C@H](C)CCC(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001715532411 1420223614 /nfs/dbraw/zinc/22/36/14/1420223614.db2.gz CRTSLDRGTJFMLT-HNNXBMFYSA-N 1 2 333.451 3.414 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](CC)Oc1ccccc1C ZINC001715534315 1420226727 /nfs/dbraw/zinc/22/67/27/1420226727.db2.gz TTXAOMAOBKZVLV-MRXNPFEDSA-N 1 2 338.879 3.295 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](CC)Oc1ccccc1C ZINC001715534315 1420226730 /nfs/dbraw/zinc/22/67/30/1420226730.db2.gz TTXAOMAOBKZVLV-MRXNPFEDSA-N 1 2 338.879 3.295 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1nsc2ccccc12 ZINC001716507863 1420739509 /nfs/dbraw/zinc/73/95/09/1420739509.db2.gz HAUNRLWFYOFZDE-GFCCVEGCSA-N 1 2 337.876 3.028 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1nsc2ccccc12 ZINC001716507863 1420739510 /nfs/dbraw/zinc/73/95/10/1420739510.db2.gz HAUNRLWFYOFZDE-GFCCVEGCSA-N 1 2 337.876 3.028 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cc(F)cc2cccnc21 ZINC001725189335 1425729842 /nfs/dbraw/zinc/72/98/42/1425729842.db2.gz JHFXPIULIVOIDI-LBPRGKRZSA-N 1 2 335.810 3.177 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cc(F)cc2cccnc21 ZINC001725189335 1425729847 /nfs/dbraw/zinc/72/98/47/1425729847.db2.gz JHFXPIULIVOIDI-LBPRGKRZSA-N 1 2 335.810 3.177 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCc1cccc(F)c1F ZINC001725200302 1425757178 /nfs/dbraw/zinc/75/71/78/1425757178.db2.gz GHYXNPYFPMDHDE-GFCCVEGCSA-N 1 2 330.806 3.086 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCc1cccc(F)c1F ZINC001725200302 1425757181 /nfs/dbraw/zinc/75/71/81/1425757181.db2.gz GHYXNPYFPMDHDE-GFCCVEGCSA-N 1 2 330.806 3.086 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)COc2ccccc2C)[C@H]1C ZINC001725614586 1426276260 /nfs/dbraw/zinc/27/62/60/1426276260.db2.gz AAWRZYHWXZIXPJ-CVEARBPZSA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)COc2ccccc2C)[C@H]1C ZINC001725614586 1426276263 /nfs/dbraw/zinc/27/62/63/1426276263.db2.gz AAWRZYHWXZIXPJ-CVEARBPZSA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)C2(CC)CCC2)CC1 ZINC001731350007 1427288205 /nfs/dbraw/zinc/28/82/05/1427288205.db2.gz VELQVYLGLDRAEF-UHFFFAOYSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CCCC)C(C)(C)C1 ZINC001733873268 1437699274 /nfs/dbraw/zinc/69/92/74/1437699274.db2.gz XFEUMZMPHCBUKN-ZDUSSCGKSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CCCC)C(C)(C)C1 ZINC001733873268 1437699275 /nfs/dbraw/zinc/69/92/75/1437699275.db2.gz XFEUMZMPHCBUKN-ZDUSSCGKSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC[N@H+](C)Cc1ncc(Cl)s1 ZINC001752055723 1440136369 /nfs/dbraw/zinc/13/63/69/1440136369.db2.gz GUEHMKLTYWTXCA-HNNXBMFYSA-N 1 2 329.897 3.337 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC[N@@H+](C)Cc1ncc(Cl)s1 ZINC001752055723 1440136370 /nfs/dbraw/zinc/13/63/70/1440136370.db2.gz GUEHMKLTYWTXCA-HNNXBMFYSA-N 1 2 329.897 3.337 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC001752156603 1440147331 /nfs/dbraw/zinc/14/73/31/1440147331.db2.gz HRTQXDIWQBLFRU-ZWNOBZJWSA-N 1 2 346.809 3.073 20 30 EGEDLO C#CCCCCCC(=O)N(C)C1CC[NH+](Cc2nccs2)CC1 ZINC001752304609 1440168628 /nfs/dbraw/zinc/16/86/28/1440168628.db2.gz RCVJZMMJAQAPMD-UHFFFAOYSA-N 1 2 333.501 3.150 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001752784361 1440210304 /nfs/dbraw/zinc/21/03/04/1440210304.db2.gz AQMZRQAYJGMUSH-GFCCVEGCSA-N 1 2 341.908 3.337 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001752784361 1440210305 /nfs/dbraw/zinc/21/03/05/1440210305.db2.gz AQMZRQAYJGMUSH-GFCCVEGCSA-N 1 2 341.908 3.337 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+]([C@H](C)c2nc(C3CC3)no2)C1 ZINC001752784728 1440210630 /nfs/dbraw/zinc/21/06/30/1440210630.db2.gz IHUSSPXKDYEMFF-ZIAGYGMSSA-N 1 2 346.475 3.048 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@H+]([C@H](C)c2nc(C3CC3)no2)C1 ZINC001752784728 1440210631 /nfs/dbraw/zinc/21/06/31/1440210631.db2.gz IHUSSPXKDYEMFF-ZIAGYGMSSA-N 1 2 346.475 3.048 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@H]([N@H+](C)Cc2nc(C)oc2C)C1 ZINC001752995608 1440261815 /nfs/dbraw/zinc/26/18/15/1440261815.db2.gz XUXXPZNLNBOGIK-IRXDYDNUSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2nc(C)oc2C)C1 ZINC001752995608 1440261816 /nfs/dbraw/zinc/26/18/16/1440261816.db2.gz XUXXPZNLNBOGIK-IRXDYDNUSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCC[N@H+](C)Cc1nc2ccc(F)cc2o1 ZINC001753063085 1440284406 /nfs/dbraw/zinc/28/44/06/1440284406.db2.gz HURQLMUDOVTRHO-GOSISDBHSA-N 1 2 333.407 3.117 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCC[N@@H+](C)Cc1nc2ccc(F)cc2o1 ZINC001753063085 1440284407 /nfs/dbraw/zinc/28/44/07/1440284407.db2.gz HURQLMUDOVTRHO-GOSISDBHSA-N 1 2 333.407 3.117 20 30 EGEDLO C=CCC1(C(=O)NCC[N@@H+](C)Cc2cnc(Cl)s2)CCCC1 ZINC001753076922 1440291801 /nfs/dbraw/zinc/29/18/01/1440291801.db2.gz ZXMUCWWFUMMQMF-UHFFFAOYSA-N 1 2 341.908 3.481 20 30 EGEDLO C=CCC1(C(=O)NCC[N@H+](C)Cc2cnc(Cl)s2)CCCC1 ZINC001753076922 1440291802 /nfs/dbraw/zinc/29/18/02/1440291802.db2.gz ZXMUCWWFUMMQMF-UHFFFAOYSA-N 1 2 341.908 3.481 20 30 EGEDLO CCCN(C(=O)C(C)(F)F)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001753312116 1440356952 /nfs/dbraw/zinc/35/69/52/1440356952.db2.gz RPRQHCSWPQZLJW-GFCCVEGCSA-N 1 2 341.427 3.088 20 30 EGEDLO CCCN(C(=O)C(C)(F)F)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001753312116 1440356953 /nfs/dbraw/zinc/35/69/53/1440356953.db2.gz RPRQHCSWPQZLJW-GFCCVEGCSA-N 1 2 341.427 3.088 20 30 EGEDLO C#CCCCCC(=O)NCC1C[NH+](Cc2cccc(Cl)c2F)C1 ZINC001753400752 1440390952 /nfs/dbraw/zinc/39/09/52/1440390952.db2.gz ICFRXRGKODTAHY-UHFFFAOYSA-N 1 2 336.838 3.221 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](CC)OC2CCCCC2)C1 ZINC001753437894 1440400570 /nfs/dbraw/zinc/40/05/70/1440400570.db2.gz OSVRLLNUPKCFLL-RDJZCZTQSA-N 1 2 342.911 3.400 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](CC)OC2CCCCC2)C1 ZINC001753437894 1440400571 /nfs/dbraw/zinc/40/05/71/1440400571.db2.gz OSVRLLNUPKCFLL-RDJZCZTQSA-N 1 2 342.911 3.400 20 30 EGEDLO CCN(C(=O)C#CC1CC1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC001753455761 1440408155 /nfs/dbraw/zinc/40/81/55/1440408155.db2.gz NKBNQJBGFFTUKQ-QGZVFWFLSA-N 1 2 348.849 3.315 20 30 EGEDLO CCN(C(=O)C#CC1CC1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC001753455761 1440408156 /nfs/dbraw/zinc/40/81/56/1440408156.db2.gz NKBNQJBGFFTUKQ-QGZVFWFLSA-N 1 2 348.849 3.315 20 30 EGEDLO C=CCCCC(=O)N1CCC2(C[NH+](Cc3ccn(C(C)C)n3)C2)CC1 ZINC001753674878 1440462960 /nfs/dbraw/zinc/46/29/60/1440462960.db2.gz JOSZKRWIKDJJFM-UHFFFAOYSA-N 1 2 344.503 3.245 20 30 EGEDLO C=CC1(CC(=O)N(C)[C@@H](C)C[NH2+]Cc2csnn2)CCCCC1 ZINC001753715713 1440471868 /nfs/dbraw/zinc/47/18/68/1440471868.db2.gz CQKMLEJGJBOIST-AWEZNQCLSA-N 1 2 336.505 3.001 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1cc(F)ccc1F ZINC001753855382 1440508503 /nfs/dbraw/zinc/50/85/03/1440508503.db2.gz WBHAFZJWJKXICA-UHFFFAOYSA-N 1 2 343.377 3.040 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1cc(F)ccc1F ZINC001753855382 1440508504 /nfs/dbraw/zinc/50/85/04/1440508504.db2.gz WBHAFZJWJKXICA-UHFFFAOYSA-N 1 2 343.377 3.040 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](C)OCc1ccc(C)cc1 ZINC001753858623 1440510237 /nfs/dbraw/zinc/51/02/37/1440510237.db2.gz JFVJUSUCZBIHHH-INIZCTEOSA-N 1 2 338.879 3.043 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](C)OCc1ccc(C)cc1 ZINC001753858623 1440510238 /nfs/dbraw/zinc/51/02/38/1440510238.db2.gz JFVJUSUCZBIHHH-INIZCTEOSA-N 1 2 338.879 3.043 20 30 EGEDLO Cc1ccc(F)cc1C(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001753858711 1440510622 /nfs/dbraw/zinc/51/06/22/1440510622.db2.gz MYFLQLAWVXZQHZ-UHFFFAOYSA-N 1 2 339.414 3.210 20 30 EGEDLO Cc1ccc(F)cc1C(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC001753858711 1440510623 /nfs/dbraw/zinc/51/06/23/1440510623.db2.gz MYFLQLAWVXZQHZ-UHFFFAOYSA-N 1 2 339.414 3.210 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1c(C)oc2ccccc21 ZINC001753886175 1440521239 /nfs/dbraw/zinc/52/12/39/1440521239.db2.gz SQPIDGYEVXTYGB-UHFFFAOYSA-N 1 2 334.847 3.426 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1c(C)oc2ccccc21 ZINC001753886175 1440521240 /nfs/dbraw/zinc/52/12/40/1440521240.db2.gz SQPIDGYEVXTYGB-UHFFFAOYSA-N 1 2 334.847 3.426 20 30 EGEDLO CC(C)(CC(F)(F)F)C(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1 ZINC001754548933 1440629192 /nfs/dbraw/zinc/62/91/92/1440629192.db2.gz LHMPMZGUROSNOH-UHFFFAOYSA-N 1 2 345.409 3.192 20 30 EGEDLO CC(C)(CC(F)(F)F)C(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1 ZINC001754548933 1440629193 /nfs/dbraw/zinc/62/91/93/1440629193.db2.gz LHMPMZGUROSNOH-UHFFFAOYSA-N 1 2 345.409 3.192 20 30 EGEDLO C=CCC(C)(C)C(=O)N(C)C1C[NH+](CCO[C@H]2CCCC[C@H]2C)C1 ZINC001754582980 1440639072 /nfs/dbraw/zinc/63/90/72/1440639072.db2.gz JFJFSGXQAAYPOB-AEFFLSMTSA-N 1 2 336.520 3.327 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC1(C)CC[NH+]([C@H](C)c2nc(C)no2)CC1 ZINC001754627889 1440646778 /nfs/dbraw/zinc/64/67/78/1440646778.db2.gz BMYBWKHMPBCTAF-HIFRSBDPSA-N 1 2 334.464 3.012 20 30 EGEDLO C#CCCCC(=O)N[C@@]1(C)CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC001754672438 1440658362 /nfs/dbraw/zinc/65/83/62/1440658362.db2.gz IEGUIOBZSWRVHJ-SFHVURJKSA-N 1 2 336.838 3.363 20 30 EGEDLO C#CCCCC(=O)N[C@@]1(C)CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC001754672438 1440658363 /nfs/dbraw/zinc/65/83/63/1440658363.db2.gz IEGUIOBZSWRVHJ-SFHVURJKSA-N 1 2 336.838 3.363 20 30 EGEDLO C[C@H](CC(=O)N[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1)C1CC1 ZINC001754685783 1440664941 /nfs/dbraw/zinc/66/49/41/1440664941.db2.gz RRSQELLUSAOEQM-VLIAUNLRSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H](CC(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1)C1CC1 ZINC001754685783 1440664942 /nfs/dbraw/zinc/66/49/42/1440664942.db2.gz RRSQELLUSAOEQM-VLIAUNLRSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001755038981 1440735893 /nfs/dbraw/zinc/73/58/93/1440735893.db2.gz MXWRRVWDWIAQFO-GJZGRUSLSA-N 1 2 343.309 3.112 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001755038981 1440735894 /nfs/dbraw/zinc/73/58/94/1440735894.db2.gz MXWRRVWDWIAQFO-GJZGRUSLSA-N 1 2 343.309 3.112 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@@H](C)CC ZINC001755191176 1440774834 /nfs/dbraw/zinc/77/48/34/1440774834.db2.gz GZXQJMAAZDNGMK-GXTWGEPZSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)C[C@@H](C)CC ZINC001755191176 1440774835 /nfs/dbraw/zinc/77/48/35/1440774835.db2.gz GZXQJMAAZDNGMK-GXTWGEPZSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C/C(C)=C/CC(=O)N1CCC[C@H]1C[N@@H+](C)CC(=C)Br ZINC001755197841 1440777638 /nfs/dbraw/zinc/77/76/38/1440777638.db2.gz OHCYZOFBBYLZHQ-NRUITVPNSA-N 1 2 341.293 3.340 20 30 EGEDLO C=C/C(C)=C/CC(=O)N1CCC[C@H]1C[N@H+](C)CC(=C)Br ZINC001755197841 1440777639 /nfs/dbraw/zinc/77/76/39/1440777639.db2.gz OHCYZOFBBYLZHQ-NRUITVPNSA-N 1 2 341.293 3.340 20 30 EGEDLO C#CCCCC(=O)NC[C@H](C)[N@H+](C)Cc1cc(-c2ccccc2)on1 ZINC001755296461 1440806598 /nfs/dbraw/zinc/80/65/98/1440806598.db2.gz NFNTXBHTDOXWHH-INIZCTEOSA-N 1 2 339.439 3.082 20 30 EGEDLO C#CCCCC(=O)NC[C@H](C)[N@@H+](C)Cc1cc(-c2ccccc2)on1 ZINC001755296461 1440806599 /nfs/dbraw/zinc/80/65/99/1440806599.db2.gz NFNTXBHTDOXWHH-INIZCTEOSA-N 1 2 339.439 3.082 20 30 EGEDLO C[C@@H](CNC(=O)C1C(C)(C)C1(C)C)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001755297050 1440806862 /nfs/dbraw/zinc/80/68/62/1440806862.db2.gz IGQHEVTYRVCWLF-ZDUSSCGKSA-N 1 2 345.462 3.316 20 30 EGEDLO C[C@@H](CNC(=O)C1C(C)(C)C1(C)C)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001755297050 1440806863 /nfs/dbraw/zinc/80/68/63/1440806863.db2.gz IGQHEVTYRVCWLF-ZDUSSCGKSA-N 1 2 345.462 3.316 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cccc(-n2cccc2)c1 ZINC001755308691 1440812313 /nfs/dbraw/zinc/81/23/13/1440812313.db2.gz XOARTZNFDMFFET-HNNXBMFYSA-N 1 2 331.847 3.280 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cccc(-n2cccc2)c1 ZINC001755308691 1440812314 /nfs/dbraw/zinc/81/23/14/1440812314.db2.gz XOARTZNFDMFFET-HNNXBMFYSA-N 1 2 331.847 3.280 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@@H]([NH2+]Cc2nnc(C(C)(C)C)o2)C[C@H]1C ZINC001755674060 1440894380 /nfs/dbraw/zinc/89/43/80/1440894380.db2.gz CRGPNIXKNUMNPZ-KGLIPLIRSA-N 1 2 348.491 3.048 20 30 EGEDLO C=CCC(CC=C)C(=O)N1C[C@@H]([NH2+]Cc2nnc(C(C)C)o2)C[C@@H]1C ZINC001755677477 1440894819 /nfs/dbraw/zinc/89/48/19/1440894819.db2.gz YHMJFPHIQABAAN-HOCLYGCPSA-N 1 2 346.475 3.040 20 30 EGEDLO C=C(C)CCC(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1nnc(CC)s1)CC2 ZINC001755702224 1440900688 /nfs/dbraw/zinc/90/06/88/1440900688.db2.gz OTLJLOLYZRTVCB-KBXCAEBGSA-N 1 2 348.516 3.070 20 30 EGEDLO C=C(C)CCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](Cc1nnc(CC)s1)CC2 ZINC001755702224 1440900689 /nfs/dbraw/zinc/90/06/89/1440900689.db2.gz OTLJLOLYZRTVCB-KBXCAEBGSA-N 1 2 348.516 3.070 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2cncc(F)c2)[C@H]1C ZINC001755721022 1440907201 /nfs/dbraw/zinc/90/72/01/1440907201.db2.gz JEFJBDUNLRGECF-YOEHRIQHSA-N 1 2 333.451 3.292 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cncc(F)c2)[C@H]1C ZINC001755721022 1440907202 /nfs/dbraw/zinc/90/72/02/1440907202.db2.gz JEFJBDUNLRGECF-YOEHRIQHSA-N 1 2 333.451 3.292 20 30 EGEDLO C=CCC(C)(C)C(=O)NCC1=CC[N@H+](Cc2cncc(F)c2)CC1 ZINC001755893851 1440942333 /nfs/dbraw/zinc/94/23/33/1440942333.db2.gz HPHQOGNRCZNDIQ-UHFFFAOYSA-N 1 2 331.435 3.071 20 30 EGEDLO C=CCC(C)(C)C(=O)NCC1=CC[N@@H+](Cc2cncc(F)c2)CC1 ZINC001755893851 1440942334 /nfs/dbraw/zinc/94/23/34/1440942334.db2.gz HPHQOGNRCZNDIQ-UHFFFAOYSA-N 1 2 331.435 3.071 20 30 EGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1nc2ccccn2c1C#N ZINC000159710067 530027966 /nfs/dbraw/zinc/02/79/66/530027966.db2.gz OKBBEGMNXFTJRN-UHFFFAOYSA-N 1 2 342.406 3.087 20 30 EGEDLO COCCOc1ccc(C#N)cc1NCc1cn2c(cccc2C)[nH+]1 ZINC000181913387 234377914 /nfs/dbraw/zinc/37/79/14/234377914.db2.gz MZWHHTLKERZYEI-UHFFFAOYSA-N 1 2 336.395 3.152 20 30 EGEDLO N#Cc1cnc2c(F)cc(F)cc2c1N1CCC(n2cc[nH+]c2)CC1 ZINC000352329327 283239965 /nfs/dbraw/zinc/23/99/65/283239965.db2.gz OGGBAIFZEAAKCX-UHFFFAOYSA-N 1 2 339.349 3.423 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)s1 ZINC000190026723 238180433 /nfs/dbraw/zinc/18/04/33/238180433.db2.gz FJDBVATUUAZJEL-UHFFFAOYSA-N 1 2 334.391 3.382 20 30 EGEDLO C=CCSCCNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000264253955 246246109 /nfs/dbraw/zinc/24/61/09/246246109.db2.gz PUCNLMGACJEULC-HNNXBMFYSA-N 1 2 349.500 3.121 20 30 EGEDLO C[C@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(C#N)cc1 ZINC000268437409 251913992 /nfs/dbraw/zinc/91/39/92/251913992.db2.gz XYANNARLUQWACU-RVKKMQEKSA-N 1 2 337.427 3.108 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000348061062 141237115 /nfs/dbraw/zinc/23/71/15/141237115.db2.gz IBXGKYOMEAECQT-AWEZNQCLSA-N 1 2 329.791 3.218 20 30 EGEDLO Cn1ccnc1[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc([N+](=O)[O-])cc1 ZINC000353437419 141295582 /nfs/dbraw/zinc/29/55/82/141295582.db2.gz RCQZKASTFYFAKP-GOSISDBHSA-N 1 2 347.378 3.079 20 30 EGEDLO Cn1ccnc1[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000353449716 141298537 /nfs/dbraw/zinc/29/85/37/141298537.db2.gz RQYGKMHCIUBGGF-SFHVURJKSA-N 1 2 347.378 3.079 20 30 EGEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc2n[nH]cc2c1 ZINC000353188130 142652329 /nfs/dbraw/zinc/65/23/29/142652329.db2.gz YJFPJIDIBYHQKC-GFCCVEGCSA-N 1 2 344.378 3.335 20 30 EGEDLO N#Cc1cccc(OC2CC[NH+](Cc3cn4ccsc4n3)CC2)c1 ZINC000171610913 144007482 /nfs/dbraw/zinc/00/74/82/144007482.db2.gz ZZCCPGGIXLNJPY-UHFFFAOYSA-N 1 2 338.436 3.311 20 30 EGEDLO C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc2c(c1)NC(=O)CO2 ZINC000187417982 144159094 /nfs/dbraw/zinc/15/90/94/144159094.db2.gz FUARPAOYNUVUOE-LLVKDONJSA-N 1 2 341.798 3.393 20 30 EGEDLO N#Cc1ccnc(N2CCN(c3cc[nH+]c4c(Cl)cccc34)CC2)c1 ZINC000341424825 155284115 /nfs/dbraw/zinc/28/41/15/155284115.db2.gz DTEXKRVIUSGADD-UHFFFAOYSA-N 1 2 349.825 3.481 20 30 EGEDLO N#Cc1ccncc1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000341455782 155301176 /nfs/dbraw/zinc/30/11/76/155301176.db2.gz FBHXKAXFTDBQNM-UHFFFAOYSA-N 1 2 331.379 3.282 20 30 EGEDLO C[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2)C[C@H](c2ccsc2)O1 ZINC000120974988 152315459 /nfs/dbraw/zinc/31/54/59/152315459.db2.gz KGBRWLWFLJEDRC-RDTXWAMCSA-N 1 2 328.437 3.461 20 30 EGEDLO C[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2)C[C@H](c2ccsc2)O1 ZINC000120974988 152315463 /nfs/dbraw/zinc/31/54/63/152315463.db2.gz KGBRWLWFLJEDRC-RDTXWAMCSA-N 1 2 328.437 3.461 20 30 EGEDLO Cn1ccc([C@H]([NH2+]Cc2cc(C#N)n(C)c2)c2ccc(Cl)cc2)n1 ZINC000372799774 157386284 /nfs/dbraw/zinc/38/62/84/157386284.db2.gz SCSWSWFGVMMSLV-GOSISDBHSA-N 1 2 339.830 3.163 20 30 EGEDLO N#Cc1ccc(N2CC[C@H](Sc3[nH+]cc4ccccn43)C2=O)cc1 ZINC000125981554 162290978 /nfs/dbraw/zinc/29/09/78/162290978.db2.gz ARRRVIHNZZNKJX-INIZCTEOSA-N 1 2 334.404 3.104 20 30 EGEDLO CN(C)c1ccc(CNc2ccc(Br)cc2C#N)c[nH+]1 ZINC000345852623 164279785 /nfs/dbraw/zinc/27/97/85/164279785.db2.gz PAXYQZWXCGTYDQ-UHFFFAOYSA-N 1 2 331.217 3.394 20 30 EGEDLO CCc1ccc([C@@H]2COCC[N@@H+]2CCOc2ccc(C#N)cc2)o1 ZINC000346526415 164391830 /nfs/dbraw/zinc/39/18/30/164391830.db2.gz FDHZROLWIWLWFC-SFHVURJKSA-N 1 2 326.396 3.166 20 30 EGEDLO CCc1ccc([C@@H]2COCC[N@H+]2CCOc2ccc(C#N)cc2)o1 ZINC000346526415 164391832 /nfs/dbraw/zinc/39/18/32/164391832.db2.gz FDHZROLWIWLWFC-SFHVURJKSA-N 1 2 326.396 3.166 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCc3cc(F)ccc3C2)cc1Cl ZINC000351952899 165166312 /nfs/dbraw/zinc/16/63/12/165166312.db2.gz YYKZNDPFEVQZGI-UHFFFAOYSA-N 1 2 343.789 3.348 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCc3cc(F)ccc3C2)cc1Cl ZINC000351952899 165166319 /nfs/dbraw/zinc/16/63/19/165166319.db2.gz YYKZNDPFEVQZGI-UHFFFAOYSA-N 1 2 343.789 3.348 20 30 EGEDLO CCOc1ccc(C#N)cc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000352261353 165315751 /nfs/dbraw/zinc/31/57/51/165315751.db2.gz POYBFAWOEMJZCW-UHFFFAOYSA-N 1 2 346.390 3.454 20 30 EGEDLO CCc1cc(OCC(=O)NCc2cccc(C#N)c2)c2ccccc2[nH+]1 ZINC000356075308 166393402 /nfs/dbraw/zinc/39/34/02/166393402.db2.gz YWPSWIQSRLJKQE-UHFFFAOYSA-N 1 2 345.402 3.364 20 30 EGEDLO C[N@H+](Cc1ccc2ccccc2c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360342452 167306782 /nfs/dbraw/zinc/30/67/82/167306782.db2.gz MAYMAFLGRDSXJK-HXUWFJFHSA-N 1 2 329.403 3.370 20 30 EGEDLO C[N@@H+](Cc1ccc2ccccc2c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360342452 167306784 /nfs/dbraw/zinc/30/67/84/167306784.db2.gz MAYMAFLGRDSXJK-HXUWFJFHSA-N 1 2 329.403 3.370 20 30 EGEDLO C[C@H](NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccc(C#N)cc1 ZINC000360483062 167338966 /nfs/dbraw/zinc/33/89/66/167338966.db2.gz OLXQDVQGKRTQBC-HNNXBMFYSA-N 1 2 345.406 3.304 20 30 EGEDLO Cc1cccc(S(=O)(=O)CCC[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000167738126 226199345 /nfs/dbraw/zinc/19/93/45/226199345.db2.gz ORRYVEAQWSRPLC-UHFFFAOYSA-N 1 2 342.464 3.163 20 30 EGEDLO Cc1cccc(S(=O)(=O)CCC[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000167738126 226199348 /nfs/dbraw/zinc/19/93/48/226199348.db2.gz ORRYVEAQWSRPLC-UHFFFAOYSA-N 1 2 342.464 3.163 20 30 EGEDLO Cc1cc(N2CCN(c3ncc(Cl)cc3Cl)CC2)c(C#N)c[nH+]1 ZINC000425203351 269914820 /nfs/dbraw/zinc/91/48/20/269914820.db2.gz FFBRFGHPNBNNLU-UHFFFAOYSA-N 1 2 348.237 3.290 20 30 EGEDLO Cc1cc(N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000496230587 269915011 /nfs/dbraw/zinc/91/50/11/269915011.db2.gz VYNCIKLJTNNJJS-UONOGXRCSA-N 1 2 330.432 3.001 20 30 EGEDLO N#Cc1cccc(CCNC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000493348173 270058671 /nfs/dbraw/zinc/05/86/71/270058671.db2.gz FAFNDQUCELAHHF-TWGQIWQCSA-N 1 2 342.402 3.116 20 30 EGEDLO Cc1ccc2sc(C[NH+]3CCN(c4ccc(C#N)cn4)CC3)nc2c1 ZINC000528356072 270060126 /nfs/dbraw/zinc/06/01/26/270060126.db2.gz DLLVBTPSKKWLQW-UHFFFAOYSA-N 1 2 349.463 3.194 20 30 EGEDLO CC(C)(C)c1nnc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)[nH]1 ZINC000292639954 265744411 /nfs/dbraw/zinc/74/44/11/265744411.db2.gz OGOMELODCJSWJM-UHFFFAOYSA-N 1 2 339.443 3.017 20 30 EGEDLO CC[N@@H+](Cc1ccc(C#N)c(OC)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000442823793 267069753 /nfs/dbraw/zinc/06/97/53/267069753.db2.gz RMZJUWAXBMYWEV-UHFFFAOYSA-N 1 2 348.406 3.238 20 30 EGEDLO CC[N@H+](Cc1ccc(C#N)c(OC)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000442823793 267069755 /nfs/dbraw/zinc/06/97/55/267069755.db2.gz RMZJUWAXBMYWEV-UHFFFAOYSA-N 1 2 348.406 3.238 20 30 EGEDLO CC[C@H](C[NH2+][C@H](C(=O)OC)c1cccc(C#N)c1)CC(F)(F)F ZINC000419316088 267212151 /nfs/dbraw/zinc/21/21/51/267212151.db2.gz KSVRVNPWMQIIFG-FZMZJTMJSA-N 1 2 328.334 3.341 20 30 EGEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000456365702 267256709 /nfs/dbraw/zinc/25/67/09/267256709.db2.gz WCHJLXHPUCIDOJ-GFCCVEGCSA-N 1 2 328.391 3.069 20 30 EGEDLO CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000432596057 267291194 /nfs/dbraw/zinc/29/11/94/267291194.db2.gz ZPDGPJXMXVCTGR-UHFFFAOYSA-N 1 2 331.379 3.062 20 30 EGEDLO Cc1cc(N)nc(SCc2ccc(Br)cc2C#N)[nH+]1 ZINC000394051966 267296622 /nfs/dbraw/zinc/29/66/22/267296622.db2.gz QHHAJGXTDODLQV-UHFFFAOYSA-N 1 2 335.230 3.124 20 30 EGEDLO N#Cc1ccc(C(F)(F)F)nc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000301645456 268050178 /nfs/dbraw/zinc/05/01/78/268050178.db2.gz PCRDWCXNOLMLBW-CYBMUJFWSA-N 1 2 334.301 3.025 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444734616 268180917 /nfs/dbraw/zinc/18/09/17/268180917.db2.gz NPOXFBUMTYFWIN-RISCZKNCSA-N 1 2 332.753 3.347 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444734616 268180919 /nfs/dbraw/zinc/18/09/19/268180919.db2.gz NPOXFBUMTYFWIN-RISCZKNCSA-N 1 2 332.753 3.347 20 30 EGEDLO N#Cc1ccc(CN2CC[NH+](Cc3cc4ccc(F)cc4[nH]3)CC2)cc1 ZINC000488303027 268220844 /nfs/dbraw/zinc/22/08/44/268220844.db2.gz VWEXEEPFOJATML-UHFFFAOYSA-N 1 2 348.425 3.496 20 30 EGEDLO N#Cc1cccc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000272594505 268229146 /nfs/dbraw/zinc/22/91/46/268229146.db2.gz GKFBGXJGSATJPM-GOSISDBHSA-N 1 2 346.390 3.182 20 30 EGEDLO N#Cc1cccc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000272594505 268229147 /nfs/dbraw/zinc/22/91/47/268229147.db2.gz GKFBGXJGSATJPM-GOSISDBHSA-N 1 2 346.390 3.182 20 30 EGEDLO N#Cc1cccc(/C=C\C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000491199162 268269414 /nfs/dbraw/zinc/26/94/14/268269414.db2.gz HHBQXSWGGBICOV-NTMALXAHSA-N 1 2 346.434 3.273 20 30 EGEDLO N#Cc1cccc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c1Br ZINC000450367229 268271151 /nfs/dbraw/zinc/27/11/51/268271151.db2.gz BMVYZFXRUQIGPT-GFCCVEGCSA-N 1 2 345.200 3.021 20 30 EGEDLO N#Cc1ccccc1-c1ccc(CNC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000492869078 268295088 /nfs/dbraw/zinc/29/50/88/268295088.db2.gz UDBCJMNGNXGSGO-MDZDMXLPSA-N 1 2 328.375 3.278 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433058798 268306287 /nfs/dbraw/zinc/30/62/87/268306287.db2.gz LGVZETHVXBPHED-MRXNPFEDSA-N 1 2 325.437 3.438 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433058798 268306288 /nfs/dbraw/zinc/30/62/88/268306288.db2.gz LGVZETHVXBPHED-MRXNPFEDSA-N 1 2 325.437 3.438 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000263764971 279236359 /nfs/dbraw/zinc/23/63/59/279236359.db2.gz VMQYGFWUEGHBDS-FOIQADDNSA-N 1 2 349.434 3.131 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000263764971 279236361 /nfs/dbraw/zinc/23/63/61/279236361.db2.gz VMQYGFWUEGHBDS-FOIQADDNSA-N 1 2 349.434 3.131 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000548754488 315043078 /nfs/dbraw/zinc/04/30/78/315043078.db2.gz PIBBYWZBAKPSNZ-QFSBIZTOSA-N 1 2 347.846 3.038 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000548754488 315043081 /nfs/dbraw/zinc/04/30/81/315043081.db2.gz PIBBYWZBAKPSNZ-QFSBIZTOSA-N 1 2 347.846 3.038 20 30 EGEDLO CSc1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)s1 ZINC000555685830 315398110 /nfs/dbraw/zinc/39/81/10/315398110.db2.gz CHUWMVFQRSEOCK-UHFFFAOYSA-N 1 2 330.482 3.059 20 30 EGEDLO N#Cc1ccncc1N1CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC000562361510 315823486 /nfs/dbraw/zinc/82/34/86/315823486.db2.gz DFCFJYHNXDIEOG-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO CC1(C)C[N@H+](CCOc2ccccc2C#N)C[C@](C)(C(F)(F)F)O1 ZINC000571302356 317181293 /nfs/dbraw/zinc/18/12/93/317181293.db2.gz LFZKZJPYQMIYJM-MRXNPFEDSA-N 1 2 342.361 3.369 20 30 EGEDLO CC1(C)C[N@@H+](CCOc2ccccc2C#N)C[C@](C)(C(F)(F)F)O1 ZINC000571302356 317181298 /nfs/dbraw/zinc/18/12/98/317181298.db2.gz LFZKZJPYQMIYJM-MRXNPFEDSA-N 1 2 342.361 3.369 20 30 EGEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000571595323 317221030 /nfs/dbraw/zinc/22/10/30/317221030.db2.gz JCXZLRHATLAYRT-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO Cc1ccc(CC(=O)N2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000183972696 323637176 /nfs/dbraw/zinc/63/71/76/323637176.db2.gz WGLFUEDTMNLADM-GOSISDBHSA-N 1 2 347.462 3.315 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000397597893 457490084 /nfs/dbraw/zinc/49/00/84/457490084.db2.gz MHOBRLJAOPFWFI-LBPRGKRZSA-N 1 2 336.233 3.013 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000397597893 457490089 /nfs/dbraw/zinc/49/00/89/457490089.db2.gz MHOBRLJAOPFWFI-LBPRGKRZSA-N 1 2 336.233 3.013 20 30 EGEDLO C=CCCO[C@@H](C)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000264600757 455246428 /nfs/dbraw/zinc/24/64/28/455246428.db2.gz LMCDARABVIUSTB-HNNXBMFYSA-N 1 2 343.427 3.223 20 30 EGEDLO C[C@]1(C#N)CCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000612158233 460554752 /nfs/dbraw/zinc/55/47/52/460554752.db2.gz IPUGNTDSKRMCDX-CZUORRHYSA-N 1 2 343.254 3.359 20 30 EGEDLO C[C@]1(C#N)CCC[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000612158233 460554757 /nfs/dbraw/zinc/55/47/57/460554757.db2.gz IPUGNTDSKRMCDX-CZUORRHYSA-N 1 2 343.254 3.359 20 30 EGEDLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612162038 460556061 /nfs/dbraw/zinc/55/60/61/460556061.db2.gz JJOLETIEVQGWEU-SCLBCKFNSA-N 1 2 335.398 3.110 20 30 EGEDLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612162038 460556067 /nfs/dbraw/zinc/55/60/67/460556067.db2.gz JJOLETIEVQGWEU-SCLBCKFNSA-N 1 2 335.398 3.110 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612162015 460556213 /nfs/dbraw/zinc/55/62/13/460556213.db2.gz JFFRNYVQIPXIQK-KBXCAEBGSA-N 1 2 333.863 3.485 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612162015 460556224 /nfs/dbraw/zinc/55/62/24/460556224.db2.gz JFFRNYVQIPXIQK-KBXCAEBGSA-N 1 2 333.863 3.485 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162017 460556595 /nfs/dbraw/zinc/55/65/95/460556595.db2.gz JFFRNYVQIPXIQK-KDOFPFPSSA-N 1 2 333.863 3.485 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162017 460556597 /nfs/dbraw/zinc/55/65/97/460556597.db2.gz JFFRNYVQIPXIQK-KDOFPFPSSA-N 1 2 333.863 3.485 20 30 EGEDLO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612166919 460559495 /nfs/dbraw/zinc/55/94/95/460559495.db2.gz FUFLZMXSLGNDBD-RVKKMQEKSA-N 1 2 331.485 3.426 20 30 EGEDLO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612166919 460559501 /nfs/dbraw/zinc/55/95/01/460559501.db2.gz FUFLZMXSLGNDBD-RVKKMQEKSA-N 1 2 331.485 3.426 20 30 EGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(C#N)cc1 ZINC000190434641 455316355 /nfs/dbraw/zinc/31/63/55/455316355.db2.gz LHSQOVSPYKZKIZ-UHFFFAOYSA-N 1 2 325.416 3.261 20 30 EGEDLO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2CCCSCC#N)o1 ZINC000173870061 455336956 /nfs/dbraw/zinc/33/69/56/455336956.db2.gz MWQVKSNFCZQZMI-INIZCTEOSA-N 1 2 328.441 3.124 20 30 EGEDLO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2CCCSCC#N)o1 ZINC000173870061 455336960 /nfs/dbraw/zinc/33/69/60/455336960.db2.gz MWQVKSNFCZQZMI-INIZCTEOSA-N 1 2 328.441 3.124 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](Cc1ccco1)Cc1cccs1 ZINC000007580750 453087156 /nfs/dbraw/zinc/08/71/56/453087156.db2.gz UQNVFIZZYHPFDE-SFHVURJKSA-N 1 2 345.468 3.398 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000007580750 453087162 /nfs/dbraw/zinc/08/71/62/453087162.db2.gz UQNVFIZZYHPFDE-SFHVURJKSA-N 1 2 345.468 3.398 20 30 EGEDLO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cccc(F)c1 ZINC000007791370 453116588 /nfs/dbraw/zinc/11/65/88/453116588.db2.gz MGQCQNXGIHXLHF-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cccc(F)c1 ZINC000007791370 453116600 /nfs/dbraw/zinc/11/66/00/453116600.db2.gz MGQCQNXGIHXLHF-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCCc1ccccc1OC)Cc1cccs1 ZINC000011467812 453320020 /nfs/dbraw/zinc/32/00/20/453320020.db2.gz PHVOYFLSXIAUTR-UHFFFAOYSA-N 1 2 344.480 3.104 20 30 EGEDLO C=CC[N@H+](CC(=O)NCCc1ccccc1OC)Cc1cccs1 ZINC000011467812 453320025 /nfs/dbraw/zinc/32/00/25/453320025.db2.gz PHVOYFLSXIAUTR-UHFFFAOYSA-N 1 2 344.480 3.104 20 30 EGEDLO C=CCn1c(SCc2cn3ccccc3[nH+]2)nnc1-c1cccnc1 ZINC000014110253 453506636 /nfs/dbraw/zinc/50/66/36/453506636.db2.gz FYSJYFXTYGRVNA-UHFFFAOYSA-N 1 2 348.435 3.466 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000017843467 453639044 /nfs/dbraw/zinc/63/90/44/453639044.db2.gz XHJQLYMOHPUWQK-UHFFFAOYSA-N 1 2 345.446 3.005 20 30 EGEDLO Cn1cc[nH+]c1[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccccc1 ZINC000022261144 453689677 /nfs/dbraw/zinc/68/96/77/453689677.db2.gz JJDLSQRHGYEBNL-QGZVFWFLSA-N 1 2 333.351 3.401 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CC3CCCCC3)CC2)cc1 ZINC000023436774 453710673 /nfs/dbraw/zinc/71/06/73/453710673.db2.gz AXUKQUMHDGFLSF-UHFFFAOYSA-N 1 2 325.456 3.173 20 30 EGEDLO C=CCOc1ccccc1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000024437692 453733554 /nfs/dbraw/zinc/73/35/54/453733554.db2.gz RGWBEORCPMTVKY-UHFFFAOYSA-N 1 2 347.418 3.426 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000025413970 453770720 /nfs/dbraw/zinc/77/07/20/453770720.db2.gz FNHJKQPDYJPUPZ-KSZLIROESA-N 1 2 343.471 3.048 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000025413970 453770723 /nfs/dbraw/zinc/77/07/23/453770723.db2.gz FNHJKQPDYJPUPZ-KSZLIROESA-N 1 2 343.471 3.048 20 30 EGEDLO N#Cc1cccc(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccccn2)c1 ZINC000025416204 453771060 /nfs/dbraw/zinc/77/10/60/453771060.db2.gz BFOPJPBDPGKRMM-OAQYLSRUSA-N 1 2 342.402 3.271 20 30 EGEDLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000026323923 453796502 /nfs/dbraw/zinc/79/65/02/453796502.db2.gz VYNBUVUXHYEFFO-CQSZACIVSA-N 1 2 335.407 3.220 20 30 EGEDLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000026323923 453796503 /nfs/dbraw/zinc/79/65/03/453796503.db2.gz VYNBUVUXHYEFFO-CQSZACIVSA-N 1 2 335.407 3.220 20 30 EGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(C#N)cc3)n2)C1 ZINC000028683109 453824141 /nfs/dbraw/zinc/82/41/41/453824141.db2.gz NKPBPPVZPHZCJD-ZDUSSCGKSA-N 1 2 340.452 3.499 20 30 EGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(C#N)cc3)n2)C1 ZINC000028683109 453824142 /nfs/dbraw/zinc/82/41/42/453824142.db2.gz NKPBPPVZPHZCJD-ZDUSSCGKSA-N 1 2 340.452 3.499 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)c(F)c1 ZINC000029842154 453832035 /nfs/dbraw/zinc/83/20/35/453832035.db2.gz MFOBYVLDZVTJGI-UHFFFAOYSA-N 1 2 337.398 3.045 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)c(F)c1 ZINC000029842154 453832036 /nfs/dbraw/zinc/83/20/36/453832036.db2.gz MFOBYVLDZVTJGI-UHFFFAOYSA-N 1 2 337.398 3.045 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000053231748 453866492 /nfs/dbraw/zinc/86/64/92/453866492.db2.gz BYBOLTJTYWWRCJ-UHFFFAOYSA-N 1 2 329.400 3.362 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000053231748 453866495 /nfs/dbraw/zinc/86/64/95/453866495.db2.gz BYBOLTJTYWWRCJ-UHFFFAOYSA-N 1 2 329.400 3.362 20 30 EGEDLO C=CCOc1ccc(C(=O)NCCn2c(C)[nH+]c3ccccc32)cc1 ZINC000032420286 453871789 /nfs/dbraw/zinc/87/17/89/453871789.db2.gz HLZLTPABSFQXNR-UHFFFAOYSA-N 1 2 335.407 3.340 20 30 EGEDLO C[C@@H]1c2ccsc2CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512376 453879892 /nfs/dbraw/zinc/87/98/92/453879892.db2.gz KGQTZKSSBUTLFT-CYBMUJFWSA-N 1 2 346.477 3.013 20 30 EGEDLO C[C@@H]1c2ccsc2CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512376 453879895 /nfs/dbraw/zinc/87/98/95/453879895.db2.gz KGQTZKSSBUTLFT-CYBMUJFWSA-N 1 2 346.477 3.013 20 30 EGEDLO CCN(C(=O)C[N@H+](CCC#N)CC1CC1)[C@@H](C)c1ccc(F)cc1 ZINC000081515246 453881047 /nfs/dbraw/zinc/88/10/47/453881047.db2.gz NQHPXGRCTGYKFX-HNNXBMFYSA-N 1 2 331.435 3.361 20 30 EGEDLO CCN(C(=O)C[N@@H+](CCC#N)CC1CC1)[C@@H](C)c1ccc(F)cc1 ZINC000081515246 453881051 /nfs/dbraw/zinc/88/10/51/453881051.db2.gz NQHPXGRCTGYKFX-HNNXBMFYSA-N 1 2 331.435 3.361 20 30 EGEDLO N#Cc1cc([N+](=O)[O-])cnc1N1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000032888327 453895317 /nfs/dbraw/zinc/89/53/17/453895317.db2.gz GLRXZPBMEGYDDD-UHFFFAOYSA-N 1 2 348.366 3.122 20 30 EGEDLO C=CCOc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000075557675 453905167 /nfs/dbraw/zinc/90/51/67/453905167.db2.gz YIXJEDVMBXEZNV-OAHLLOKOSA-N 1 2 341.411 3.003 20 30 EGEDLO C=CC[N@H+](CC(=O)NCc1cccs1)Cc1ccc(OC)cc1 ZINC000054272068 453919710 /nfs/dbraw/zinc/91/97/10/453919710.db2.gz YHMWYQVGZOKYCR-UHFFFAOYSA-N 1 2 330.453 3.061 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCc1cccs1)Cc1ccc(OC)cc1 ZINC000054272068 453919713 /nfs/dbraw/zinc/91/97/13/453919713.db2.gz YHMWYQVGZOKYCR-UHFFFAOYSA-N 1 2 330.453 3.061 20 30 EGEDLO Cc1cccn2cc(COc3ccccc3C(=O)N(C)CCC#N)[nH+]c12 ZINC000067509419 453936616 /nfs/dbraw/zinc/93/66/16/453936616.db2.gz OQMAAZZELVBGMN-UHFFFAOYSA-N 1 2 348.406 3.207 20 30 EGEDLO N#Cc1ccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1Cl ZINC000075996846 453947173 /nfs/dbraw/zinc/94/71/73/453947173.db2.gz BOGPLIQDKOKBLE-UHFFFAOYSA-N 1 2 343.818 3.109 20 30 EGEDLO N#CCc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000076084651 453960530 /nfs/dbraw/zinc/96/05/30/453960530.db2.gz VBUJIJWNAJXPSD-UHFFFAOYSA-N 1 2 335.411 3.070 20 30 EGEDLO CN(C(=O)C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccccc1 ZINC000076153326 453971971 /nfs/dbraw/zinc/97/19/71/453971971.db2.gz OMXAWZBDTMBRFD-PMACEKPBSA-N 1 2 333.435 3.421 20 30 EGEDLO CN(C(=O)C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccccc1 ZINC000076153326 453971975 /nfs/dbraw/zinc/97/19/75/453971975.db2.gz OMXAWZBDTMBRFD-PMACEKPBSA-N 1 2 333.435 3.421 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)OC(C)(C)C2)c1 ZINC000068478000 454029686 /nfs/dbraw/zinc/02/96/86/454029686.db2.gz JGOCXCVWVXXJSQ-QGZVFWFLSA-N 1 2 343.471 3.049 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)OC(C)(C)C2)c1 ZINC000068478000 454029690 /nfs/dbraw/zinc/02/96/90/454029690.db2.gz JGOCXCVWVXXJSQ-QGZVFWFLSA-N 1 2 343.471 3.049 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000077183220 454071789 /nfs/dbraw/zinc/07/17/89/454071789.db2.gz POVXAMUJTWYKMH-UHFFFAOYSA-N 1 2 328.243 3.187 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000077183220 454071791 /nfs/dbraw/zinc/07/17/91/454071791.db2.gz POVXAMUJTWYKMH-UHFFFAOYSA-N 1 2 328.243 3.187 20 30 EGEDLO N#Cc1nnc2ccccc2c1NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000077190612 454072996 /nfs/dbraw/zinc/07/29/96/454072996.db2.gz DQQDHVHVRVRGNO-UHFFFAOYSA-N 1 2 344.422 3.499 20 30 EGEDLO C=C(Cl)CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000077274570 454084486 /nfs/dbraw/zinc/08/44/86/454084486.db2.gz SMVNKEYBSQAKFO-OKILXGFUSA-N 1 2 337.851 3.170 20 30 EGEDLO C=C(Cl)CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000077274570 454084489 /nfs/dbraw/zinc/08/44/89/454084489.db2.gz SMVNKEYBSQAKFO-OKILXGFUSA-N 1 2 337.851 3.170 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000077500084 454113645 /nfs/dbraw/zinc/11/36/45/454113645.db2.gz UILYMRCQEBYKPM-QGZVFWFLSA-N 1 2 349.369 3.342 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000045029456 454134504 /nfs/dbraw/zinc/13/45/04/454134504.db2.gz PCHNLOZTZDVWCM-QGZVFWFLSA-N 1 2 331.379 3.203 20 30 EGEDLO CCn1cc(C(=O)/C=C/c2c[nH+]c3ccc(Br)cn23)cn1 ZINC000069926997 454158289 /nfs/dbraw/zinc/15/82/89/454158289.db2.gz UNWOFRKASVFFNS-SNAWJCMRSA-N 1 2 345.200 3.209 20 30 EGEDLO C[C@H](CC#N)N(C)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000246065985 455420357 /nfs/dbraw/zinc/42/03/57/455420357.db2.gz GRJMMIGPVABGKN-BZUAXINKSA-N 1 2 344.459 3.062 20 30 EGEDLO Cc1nnc(NCc2ccc(N3CCC(C)CC3)[nH+]c2)c(C#N)c1C ZINC000071811092 454222669 /nfs/dbraw/zinc/22/26/69/454222669.db2.gz XMTWVCORBIPGIV-UHFFFAOYSA-N 1 2 336.443 3.209 20 30 EGEDLO CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccc(Cl)s1 ZINC000046168825 454225069 /nfs/dbraw/zinc/22/50/69/454225069.db2.gz YNBSLFBIMMETTK-HNNXBMFYSA-N 1 2 327.881 3.278 20 30 EGEDLO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccc(Cl)s1 ZINC000046168825 454225071 /nfs/dbraw/zinc/22/50/71/454225071.db2.gz YNBSLFBIMMETTK-HNNXBMFYSA-N 1 2 327.881 3.278 20 30 EGEDLO COc1ccc(-c2noc(C[N@H+](C)Cc3ccc(C#N)cc3)n2)cc1 ZINC000046527420 454260532 /nfs/dbraw/zinc/26/05/32/454260532.db2.gz OATLNJMSZZWYOF-UHFFFAOYSA-N 1 2 334.379 3.249 20 30 EGEDLO COc1ccc(-c2noc(C[N@@H+](C)Cc3ccc(C#N)cc3)n2)cc1 ZINC000046527420 454260536 /nfs/dbraw/zinc/26/05/36/454260536.db2.gz OATLNJMSZZWYOF-UHFFFAOYSA-N 1 2 334.379 3.249 20 30 EGEDLO C=CCOc1ccc(C[N@@H+](Cc2nnnn2C2CC2)C(C)(C)C)cc1 ZINC000131804648 454287833 /nfs/dbraw/zinc/28/78/33/454287833.db2.gz WIRWKZXGFDGAPL-UHFFFAOYSA-N 1 2 341.459 3.374 20 30 EGEDLO C=CCOc1ccc(C[N@H+](Cc2nnnn2C2CC2)C(C)(C)C)cc1 ZINC000131804648 454287836 /nfs/dbraw/zinc/28/78/36/454287836.db2.gz WIRWKZXGFDGAPL-UHFFFAOYSA-N 1 2 341.459 3.374 20 30 EGEDLO C#CCCCCC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000120349001 454289732 /nfs/dbraw/zinc/28/97/32/454289732.db2.gz BQSSYXMBYFJZBE-PKOBYXMFSA-N 1 2 348.874 3.022 20 30 EGEDLO C#CCCCCC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000120349001 454289739 /nfs/dbraw/zinc/28/97/39/454289739.db2.gz BQSSYXMBYFJZBE-PKOBYXMFSA-N 1 2 348.874 3.022 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000090615825 454328728 /nfs/dbraw/zinc/32/87/28/454328728.db2.gz NLXMANYYRCUFCA-CQSZACIVSA-N 1 2 345.874 3.429 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000090615825 454328729 /nfs/dbraw/zinc/32/87/29/454328729.db2.gz NLXMANYYRCUFCA-CQSZACIVSA-N 1 2 345.874 3.429 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H](OCC(C)C)C2)c1C#N ZINC000091072069 454376027 /nfs/dbraw/zinc/37/60/27/454376027.db2.gz WRJVKKDWRBDVKK-GOSISDBHSA-N 1 2 338.455 3.299 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](OCC(C)C)C2)c1C#N ZINC000091072069 454376032 /nfs/dbraw/zinc/37/60/32/454376032.db2.gz WRJVKKDWRBDVKK-GOSISDBHSA-N 1 2 338.455 3.299 20 30 EGEDLO C#CCN(C(=O)NC1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000062487054 454378201 /nfs/dbraw/zinc/37/82/01/454378201.db2.gz KBRPSCVWMQRVDV-UHFFFAOYSA-N 1 2 340.471 3.028 20 30 EGEDLO C[N@@H+](CC(=O)Nc1nncs1)Cc1cc(Br)cs1 ZINC000048368283 454480930 /nfs/dbraw/zinc/48/09/30/454480930.db2.gz KJSPOGBBGHPWEG-UHFFFAOYSA-N 1 2 347.263 3.082 20 30 EGEDLO COCC[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(C#N)cc1 ZINC000063753757 454444563 /nfs/dbraw/zinc/44/45/63/454444563.db2.gz KAFAIHXJLVVGER-UHFFFAOYSA-N 1 2 331.397 3.177 20 30 EGEDLO COCC[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(C#N)cc1 ZINC000063753757 454444568 /nfs/dbraw/zinc/44/45/68/454444568.db2.gz KAFAIHXJLVVGER-UHFFFAOYSA-N 1 2 331.397 3.177 20 30 EGEDLO C[N@H+](CC(=O)Nc1nncs1)Cc1cc(Br)cs1 ZINC000048368283 454480923 /nfs/dbraw/zinc/48/09/23/454480923.db2.gz KJSPOGBBGHPWEG-UHFFFAOYSA-N 1 2 347.263 3.082 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1Cl ZINC000091926216 454489888 /nfs/dbraw/zinc/48/98/88/454489888.db2.gz ZRFGGHVBYDXOFW-ZWKOTPCHSA-N 1 2 337.847 3.285 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1Cl ZINC000091926216 454489893 /nfs/dbraw/zinc/48/98/93/454489893.db2.gz ZRFGGHVBYDXOFW-ZWKOTPCHSA-N 1 2 337.847 3.285 20 30 EGEDLO N#Cc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1Cl ZINC000134042626 454496936 /nfs/dbraw/zinc/49/69/36/454496936.db2.gz DAEBMJVWQONWTR-UHFFFAOYSA-N 1 2 336.782 3.327 20 30 EGEDLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)NC2(C#N)CCCCC2)s1 ZINC000122075384 454507889 /nfs/dbraw/zinc/50/78/89/454507889.db2.gz SKRCRUKHQYTOQS-AWEZNQCLSA-N 1 2 348.516 3.349 20 30 EGEDLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)NC2(C#N)CCCCC2)s1 ZINC000122075384 454507895 /nfs/dbraw/zinc/50/78/95/454507895.db2.gz SKRCRUKHQYTOQS-AWEZNQCLSA-N 1 2 348.516 3.349 20 30 EGEDLO N#Cc1ccc(SCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000102983107 454529986 /nfs/dbraw/zinc/52/99/86/454529986.db2.gz BQCAARAUNXWIGD-UHFFFAOYSA-N 1 2 334.404 3.475 20 30 EGEDLO N#Cc1ccc(SCC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000103191584 454542325 /nfs/dbraw/zinc/54/23/25/454542325.db2.gz IBGXQHMSLDRXSI-UHFFFAOYSA-N 1 2 348.431 3.152 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc(CC#N)c1)c1cccc(F)c1 ZINC000049617637 454552959 /nfs/dbraw/zinc/55/29/59/454552959.db2.gz JIDUZMJKQGOLQE-SFHVURJKSA-N 1 2 348.381 3.145 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)CCC(F)(F)F ZINC000104678171 454595296 /nfs/dbraw/zinc/59/52/96/454595296.db2.gz WEEWYBRQMPPOHS-VIFPVBQESA-N 1 2 333.741 3.423 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)CCC(F)(F)F ZINC000104678171 454595297 /nfs/dbraw/zinc/59/52/97/454595297.db2.gz WEEWYBRQMPPOHS-VIFPVBQESA-N 1 2 333.741 3.423 20 30 EGEDLO CCOC(=O)N(C)C1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000135030397 454626945 /nfs/dbraw/zinc/62/69/45/454626945.db2.gz KNIQNEBLVWTYDM-UHFFFAOYSA-N 1 2 334.847 3.244 20 30 EGEDLO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccc(C#N)cc1 ZINC000052580721 454685723 /nfs/dbraw/zinc/68/57/23/454685723.db2.gz VILDYIYQCSRUSC-UHFFFAOYSA-N 1 2 349.350 3.148 20 30 EGEDLO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccc(C#N)cc1 ZINC000052580721 454685727 /nfs/dbraw/zinc/68/57/27/454685727.db2.gz VILDYIYQCSRUSC-UHFFFAOYSA-N 1 2 349.350 3.148 20 30 EGEDLO N#CCC[C@@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000124186590 454704329 /nfs/dbraw/zinc/70/43/29/454704329.db2.gz BMBGNEZTHRAYJC-ZWKOTPCHSA-N 1 2 349.438 3.005 20 30 EGEDLO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc1Cl ZINC000093420172 454715593 /nfs/dbraw/zinc/71/55/93/454715593.db2.gz YETWEKPHJLZJKH-QWHCGFSZSA-N 1 2 345.892 3.158 20 30 EGEDLO C=CCOc1ccc(C[N@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc1Cl ZINC000093420172 454715600 /nfs/dbraw/zinc/71/56/00/454715600.db2.gz YETWEKPHJLZJKH-QWHCGFSZSA-N 1 2 345.892 3.158 20 30 EGEDLO N#CCCN(C(=O)C[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000140768261 454824041 /nfs/dbraw/zinc/82/40/41/454824041.db2.gz YFOOWURIHURTMY-UHFFFAOYSA-N 1 2 325.437 3.053 20 30 EGEDLO N#CCCN(C(=O)C[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000140768261 454824043 /nfs/dbraw/zinc/82/40/43/454824043.db2.gz YFOOWURIHURTMY-UHFFFAOYSA-N 1 2 325.437 3.053 20 30 EGEDLO Cc1ccc(CN(C(=O)C[N@H+](CCC#N)CC(C)(C)C)C2CC2)o1 ZINC000111250928 454859236 /nfs/dbraw/zinc/85/92/36/454859236.db2.gz AZOLZZGLIUZCHL-UHFFFAOYSA-N 1 2 331.460 3.341 20 30 EGEDLO Cc1ccc(CN(C(=O)C[N@@H+](CCC#N)CC(C)(C)C)C2CC2)o1 ZINC000111250928 454859238 /nfs/dbraw/zinc/85/92/38/454859238.db2.gz AZOLZZGLIUZCHL-UHFFFAOYSA-N 1 2 331.460 3.341 20 30 EGEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000111250767 454859530 /nfs/dbraw/zinc/85/95/30/454859530.db2.gz QDOAREHGFBBZRE-KRWDZBQOSA-N 1 2 329.488 3.304 20 30 EGEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000111250767 454859533 /nfs/dbraw/zinc/85/95/33/454859533.db2.gz QDOAREHGFBBZRE-KRWDZBQOSA-N 1 2 329.488 3.304 20 30 EGEDLO CC(C)Oc1ccc(NC(=O)Cc2cn3ccccc3[nH+]2)cc1C#N ZINC000178662750 454966773 /nfs/dbraw/zinc/96/67/73/454966773.db2.gz JFCWWJLEUCAGML-UHFFFAOYSA-N 1 2 334.379 3.174 20 30 EGEDLO CC(=O)Nc1ccccc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000155224502 454976835 /nfs/dbraw/zinc/97/68/35/454976835.db2.gz KKPIORVIIZDMJD-NRFANRHFSA-N 1 2 348.450 3.027 20 30 EGEDLO CC(C)(C)c1n[nH]cc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000155252852 454980152 /nfs/dbraw/zinc/98/01/52/454980152.db2.gz SJUXUJVMVRUMMA-GOSISDBHSA-N 1 2 337.471 3.090 20 30 EGEDLO COc1cccc(/C=N/C[C@@H](c2c(F)cccc2F)[NH+](C)C)c1O ZINC000114990728 454989889 /nfs/dbraw/zinc/98/98/89/454989889.db2.gz GTSOYIITXNAGQK-LKKXKRCMSA-N 1 2 334.366 3.401 20 30 EGEDLO Cc1cc(N)nc(SCc2cc(C#N)ccc2Br)[nH+]1 ZINC000191620199 455504808 /nfs/dbraw/zinc/50/48/08/455504808.db2.gz WZLBCKNNQCSRRF-UHFFFAOYSA-N 1 2 335.230 3.294 20 30 EGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1Cc2ccccc2C1 ZINC000155482896 455006731 /nfs/dbraw/zinc/00/67/31/455006731.db2.gz MRLPHYJWQGFTHM-MRXNPFEDSA-N 1 2 349.434 3.346 20 30 EGEDLO C=CC1CCN(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC000115844277 455034439 /nfs/dbraw/zinc/03/44/39/455034439.db2.gz NHSNAEYAGDXQPG-INIZCTEOSA-N 1 2 337.414 3.175 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c(F)c1 ZINC000152240337 455091754 /nfs/dbraw/zinc/09/17/54/455091754.db2.gz KGSWNJSCHRLKPQ-HNNXBMFYSA-N 1 2 325.391 3.072 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c(F)c1 ZINC000152240337 455091758 /nfs/dbraw/zinc/09/17/58/455091758.db2.gz KGSWNJSCHRLKPQ-HNNXBMFYSA-N 1 2 325.391 3.072 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000152396093 455112593 /nfs/dbraw/zinc/11/25/93/455112593.db2.gz DEUQPXVWDVSSTB-UONOGXRCSA-N 1 2 340.452 3.478 20 30 EGEDLO COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(C)[nH+]c1C ZINC000119153599 455129262 /nfs/dbraw/zinc/12/92/62/455129262.db2.gz PBPAIPHBGMWDKI-UHFFFAOYSA-N 1 2 339.395 3.376 20 30 EGEDLO C=CCCC[C@@H](C)NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000180432915 455169317 /nfs/dbraw/zinc/16/93/17/455169317.db2.gz KBERQKCVGTYJTJ-IEBWSBKVSA-N 1 2 345.487 3.104 20 30 EGEDLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3cccc(C#N)c3)n2)c1 ZINC000237352213 455175957 /nfs/dbraw/zinc/17/59/57/455175957.db2.gz UKXYRJBASHZCOC-CYBMUJFWSA-N 1 2 334.379 3.468 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCS[C@H](C)C1 ZINC000264440350 455213571 /nfs/dbraw/zinc/21/35/71/455213571.db2.gz FORDYWBOBGCUOL-ZIAGYGMSSA-N 1 2 349.525 3.457 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCS[C@H](C)C1 ZINC000264440350 455213574 /nfs/dbraw/zinc/21/35/74/455213574.db2.gz FORDYWBOBGCUOL-ZIAGYGMSSA-N 1 2 349.525 3.457 20 30 EGEDLO CC[N@@H+](CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1)C[C@@H](C)C#N ZINC000157644427 455216361 /nfs/dbraw/zinc/21/63/61/455216361.db2.gz XOMIBHNSXFUWTI-IRXDYDNUSA-N 1 2 327.472 3.295 20 30 EGEDLO CC[N@H+](CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1)C[C@@H](C)C#N ZINC000157644427 455216366 /nfs/dbraw/zinc/21/63/66/455216366.db2.gz XOMIBHNSXFUWTI-IRXDYDNUSA-N 1 2 327.472 3.295 20 30 EGEDLO COCC[N@H+](CCC#N)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000612577466 460666602 /nfs/dbraw/zinc/66/66/02/460666602.db2.gz SFVZCMQJRXQMEQ-UHFFFAOYSA-N 1 2 334.313 3.129 20 30 EGEDLO COCC[N@@H+](CCC#N)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000612577466 460666608 /nfs/dbraw/zinc/66/66/08/460666608.db2.gz SFVZCMQJRXQMEQ-UHFFFAOYSA-N 1 2 334.313 3.129 20 30 EGEDLO N#Cc1c(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)cn2ccccc12 ZINC000159065114 455349010 /nfs/dbraw/zinc/34/90/10/455349010.db2.gz RYFPVGKSMNQGPK-QFIPXVFZSA-N 1 2 343.430 3.485 20 30 EGEDLO N#Cc1c(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)cn2ccccc12 ZINC000159065114 455349015 /nfs/dbraw/zinc/34/90/15/455349015.db2.gz RYFPVGKSMNQGPK-QFIPXVFZSA-N 1 2 343.430 3.485 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184902636 455469944 /nfs/dbraw/zinc/46/99/44/455469944.db2.gz ZVBZMSHOYLRKPY-LSDHHAIUSA-N 1 2 340.427 3.000 20 30 EGEDLO CC#CC[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000182308158 455484611 /nfs/dbraw/zinc/48/46/11/455484611.db2.gz IPSGSESYRMSFBM-GOSISDBHSA-N 1 2 349.402 3.071 20 30 EGEDLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N(CC)C[C@H](C)C#N)s1 ZINC000246994844 455541812 /nfs/dbraw/zinc/54/18/12/455541812.db2.gz SVNOITYXSXBTMI-OCCSQVGLSA-N 1 2 336.505 3.015 20 30 EGEDLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N(CC)C[C@H](C)C#N)s1 ZINC000246994844 455541816 /nfs/dbraw/zinc/54/18/16/455541816.db2.gz SVNOITYXSXBTMI-OCCSQVGLSA-N 1 2 336.505 3.015 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCSC[C@@H]1C ZINC000247012139 455543839 /nfs/dbraw/zinc/54/38/39/455543839.db2.gz JATNAOCYTJLMBM-KGLIPLIRSA-N 1 2 349.525 3.314 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCSC[C@@H]1C ZINC000247012139 455543843 /nfs/dbraw/zinc/54/38/43/455543843.db2.gz JATNAOCYTJLMBM-KGLIPLIRSA-N 1 2 349.525 3.314 20 30 EGEDLO C=CCOc1cccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000161361880 455562913 /nfs/dbraw/zinc/56/29/13/455562913.db2.gz TYONPUYSNVFMSC-MRXNPFEDSA-N 1 2 338.411 3.047 20 30 EGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1c(F)cc(C#N)cc1F ZINC000192259355 455583765 /nfs/dbraw/zinc/58/37/65/455583765.db2.gz ZCQLBOXHBISNEZ-UHFFFAOYSA-N 1 2 346.381 3.148 20 30 EGEDLO N#Cc1c(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)cn2ccccc12 ZINC000186075034 455688678 /nfs/dbraw/zinc/68/86/78/455688678.db2.gz CZSYGASPISYOOG-UHFFFAOYSA-N 1 2 335.329 3.154 20 30 EGEDLO N#Cc1ccccc1Oc1ccc(NC(=O)NCCn2cc[nH+]c2)cc1 ZINC000193597706 455765524 /nfs/dbraw/zinc/76/55/24/455765524.db2.gz PKSAVKJIVGUJOL-UHFFFAOYSA-N 1 2 347.378 3.369 20 30 EGEDLO CC(C)(C)c1cnc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)s1 ZINC000292894060 455765949 /nfs/dbraw/zinc/76/59/49/455765949.db2.gz ZJTJBBBNQKGMOA-CQSZACIVSA-N 1 2 342.468 3.361 20 30 EGEDLO CC(C)(C)c1cnc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)s1 ZINC000292894060 455765952 /nfs/dbraw/zinc/76/59/52/455765952.db2.gz ZJTJBBBNQKGMOA-CQSZACIVSA-N 1 2 342.468 3.361 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000193694578 455771533 /nfs/dbraw/zinc/77/15/33/455771533.db2.gz YPMOZODOCCOLPA-GFCCVEGCSA-N 1 2 342.270 3.433 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000193694578 455771536 /nfs/dbraw/zinc/77/15/36/455771536.db2.gz YPMOZODOCCOLPA-GFCCVEGCSA-N 1 2 342.270 3.433 20 30 EGEDLO N#Cc1cc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cnc1C(F)(F)F ZINC000293056674 455772967 /nfs/dbraw/zinc/77/29/67/455772967.db2.gz RXXAGOHWAOHRNB-LBPRGKRZSA-N 1 2 349.316 3.063 20 30 EGEDLO COc1ccc(-c2noc(C[NH2+]C3(c4cccc(C#N)c4)CC3)n2)cc1 ZINC000271859605 455789913 /nfs/dbraw/zinc/78/99/13/455789913.db2.gz ZCUMHYVWPWAQEN-UHFFFAOYSA-N 1 2 346.390 3.396 20 30 EGEDLO C=CCc1cc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc(OC)c1O ZINC000294032684 455803925 /nfs/dbraw/zinc/80/39/25/455803925.db2.gz OIYNHOFRGNLHCG-WOJBJXKFSA-N 1 2 329.440 3.273 20 30 EGEDLO C=CCc1cc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc(OC)c1O ZINC000294032684 455803932 /nfs/dbraw/zinc/80/39/32/455803932.db2.gz OIYNHOFRGNLHCG-WOJBJXKFSA-N 1 2 329.440 3.273 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)Cc1ccccn1 ZINC000295083849 455837624 /nfs/dbraw/zinc/83/76/24/455837624.db2.gz DPHHHJYGOPARQN-HNNXBMFYSA-N 1 2 329.469 3.178 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)Cc1ccccn1 ZINC000295083849 455837626 /nfs/dbraw/zinc/83/76/26/455837626.db2.gz DPHHHJYGOPARQN-HNNXBMFYSA-N 1 2 329.469 3.178 20 30 EGEDLO Cc1nnc([C@@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)s1 ZINC000285427182 455843905 /nfs/dbraw/zinc/84/39/05/455843905.db2.gz HCDQOHGLXGOYSS-LLVKDONJSA-N 1 2 346.431 3.462 20 30 EGEDLO C=C(C)[C@@H](CC(=O)Nc1ccccc1OCCn1cc[nH+]c1)OCC ZINC000270086442 455873776 /nfs/dbraw/zinc/87/37/76/455873776.db2.gz NWPFPQZKSFPMDR-GOSISDBHSA-N 1 2 343.427 3.272 20 30 EGEDLO N#CCc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000270190208 455898418 /nfs/dbraw/zinc/89/84/18/455898418.db2.gz ADGHVPXKHIMHQS-UHFFFAOYSA-N 1 2 334.423 3.068 20 30 EGEDLO Cc1cc(C)c(C#N)c(NC[C@@H](c2cccs2)[NH+]2CCOCC2)n1 ZINC000194902813 455898608 /nfs/dbraw/zinc/89/86/08/455898608.db2.gz HSWGTLFIAFIVGI-INIZCTEOSA-N 1 2 342.468 3.117 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000195065921 455918184 /nfs/dbraw/zinc/91/81/84/455918184.db2.gz WBIYRXQKPKXBRX-NVXWUHKLSA-N 1 2 341.480 3.411 20 30 EGEDLO CC(C)(C)C1=CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000270356902 455936439 /nfs/dbraw/zinc/93/64/39/455936439.db2.gz JGOVIWCZTWLTGH-UHFFFAOYSA-N 1 2 332.469 3.010 20 30 EGEDLO CC(C)(C)C1=CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000270356902 455936444 /nfs/dbraw/zinc/93/64/44/455936444.db2.gz JGOVIWCZTWLTGH-UHFFFAOYSA-N 1 2 332.469 3.010 20 30 EGEDLO Oc1cccc(/C=[NH+]/CCCOCCOCc2ccccc2)c1O ZINC000272448383 455954116 /nfs/dbraw/zinc/95/41/16/455954116.db2.gz VUJCEFJPOOAWAE-XSFVSMFZSA-N 1 2 329.396 3.140 20 30 EGEDLO CC(=O)N1CC[N@H+](Cc2ccc(C#N)cc2F)CC12CCCCC2 ZINC000270849010 456052961 /nfs/dbraw/zinc/05/29/61/456052961.db2.gz HOMHEWDNEPWDCY-UHFFFAOYSA-N 1 2 329.419 3.064 20 30 EGEDLO CC(=O)N1CC[N@@H+](Cc2ccc(C#N)cc2F)CC12CCCCC2 ZINC000270849010 456052966 /nfs/dbraw/zinc/05/29/66/456052966.db2.gz HOMHEWDNEPWDCY-UHFFFAOYSA-N 1 2 329.419 3.064 20 30 EGEDLO Cc1ccc([C@@H]([NH2+]Cc2ccccc2C#N)[C@H](C)S(C)(=O)=O)cc1 ZINC000280935126 456086521 /nfs/dbraw/zinc/08/65/21/456086521.db2.gz VLXKSTZNYKIJFZ-KXBFYZLASA-N 1 2 342.464 3.131 20 30 EGEDLO CC1=CCC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000333057107 456153264 /nfs/dbraw/zinc/15/32/64/456153264.db2.gz MMLULXFDLXFGIG-UHFFFAOYSA-N 1 2 329.469 3.479 20 30 EGEDLO CC1=CCC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000333057107 456153270 /nfs/dbraw/zinc/15/32/70/456153270.db2.gz MMLULXFDLXFGIG-UHFFFAOYSA-N 1 2 329.469 3.479 20 30 EGEDLO N#CC1(CCCNc2ccccc2C[NH+]2CCOCC2)CCOCC1 ZINC000281212657 456166706 /nfs/dbraw/zinc/16/67/06/456166706.db2.gz NWIPOOMNEBWMNL-UHFFFAOYSA-N 1 2 343.471 3.031 20 30 EGEDLO N#CC1(CCC[NH2+]c2ccc(O[C@H]3CCOC3)cc2)CCOCC1 ZINC000281298629 456193422 /nfs/dbraw/zinc/19/34/22/456193422.db2.gz TXBRXTWMPISEBS-SFHVURJKSA-N 1 2 330.428 3.367 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)C1=O ZINC000333438899 456218472 /nfs/dbraw/zinc/21/84/72/456218472.db2.gz PEAPYZJDPUEDKA-JKSUJKDBSA-N 1 2 344.846 3.140 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)C1=O ZINC000333438899 456218475 /nfs/dbraw/zinc/21/84/75/456218475.db2.gz PEAPYZJDPUEDKA-JKSUJKDBSA-N 1 2 344.846 3.140 20 30 EGEDLO Cc1nc(C[NH+]2CCN(c3ccc4cc(C#N)ccc4n3)CC2)cs1 ZINC000301812139 456221621 /nfs/dbraw/zinc/22/16/21/456221621.db2.gz HGSBHWNBUHPUQS-UHFFFAOYSA-N 1 2 349.463 3.194 20 30 EGEDLO Cc1nnc([C@@H](C)[NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)s1 ZINC000273546870 456237307 /nfs/dbraw/zinc/23/73/07/456237307.db2.gz BIBXMNVFOCTJAY-SNVBAGLBSA-N 1 2 341.358 3.447 20 30 EGEDLO C#CC[N@@H+](Cc1csc(-c2cccc(OC)c2OC)n1)C1CC1 ZINC000274012483 456248395 /nfs/dbraw/zinc/24/83/95/456248395.db2.gz AUAGBTOVSLVVHW-UHFFFAOYSA-N 1 2 328.437 3.425 20 30 EGEDLO C#CC[N@H+](Cc1csc(-c2cccc(OC)c2OC)n1)C1CC1 ZINC000274012483 456248404 /nfs/dbraw/zinc/24/84/04/456248404.db2.gz AUAGBTOVSLVVHW-UHFFFAOYSA-N 1 2 328.437 3.425 20 30 EGEDLO N#CCC[C@H]([NH2+]Cc1ncc(C2OCCO2)s1)c1ccccc1 ZINC000290382803 456311756 /nfs/dbraw/zinc/31/17/56/456311756.db2.gz OEHUYPAFTCCLNL-AWEZNQCLSA-N 1 2 329.425 3.323 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)N1CCC[C@H](C)C1)Cc1cnn(C(C)C)c1 ZINC000352951507 456423575 /nfs/dbraw/zinc/42/35/75/456423575.db2.gz OQEWWTXCEXJZFN-KRWDZBQOSA-N 1 2 332.492 3.101 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)N1CCC[C@H](C)C1)Cc1cnn(C(C)C)c1 ZINC000352951507 456423583 /nfs/dbraw/zinc/42/35/83/456423583.db2.gz OQEWWTXCEXJZFN-KRWDZBQOSA-N 1 2 332.492 3.101 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000353029544 456448912 /nfs/dbraw/zinc/44/89/12/456448912.db2.gz WJUZBIBHCSYUNS-HXUWFJFHSA-N 1 2 341.455 3.119 20 30 EGEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000276349128 456452659 /nfs/dbraw/zinc/45/26/59/456452659.db2.gz VYNHSNAUGGCJBI-ZDUSSCGKSA-N 1 2 339.361 3.155 20 30 EGEDLO CCOC(=O)[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)[C@@H](C)CC ZINC000276516437 456503771 /nfs/dbraw/zinc/50/37/71/456503771.db2.gz UOBJOIXYXYLFCI-MAUKXSAKSA-N 1 2 331.460 3.104 20 30 EGEDLO C=CCOc1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000343357368 456555665 /nfs/dbraw/zinc/55/56/65/456555665.db2.gz ZJCPBBABEZXIFI-UHFFFAOYSA-N 1 2 334.379 3.144 20 30 EGEDLO COCCN(C)c1ccc(/C=C/C(=O)c2ccc3c(c2)COC3)c[nH+]1 ZINC000276706960 456557596 /nfs/dbraw/zinc/55/75/96/456557596.db2.gz XMGICRMYNUXTBN-XVNBXDOJSA-N 1 2 338.407 3.091 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c1C#N ZINC000305819082 456561893 /nfs/dbraw/zinc/56/18/93/456561893.db2.gz PLLCKJGVVLEEOC-JXFKEZNVSA-N 1 2 338.455 3.035 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)c1C#N ZINC000305819082 456561899 /nfs/dbraw/zinc/56/18/99/456561899.db2.gz PLLCKJGVVLEEOC-JXFKEZNVSA-N 1 2 338.455 3.035 20 30 EGEDLO C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(C#N)cc1 ZINC000340649049 456600182 /nfs/dbraw/zinc/60/01/82/456600182.db2.gz PCQZTCGIZFFINE-HNNXBMFYSA-N 1 2 330.391 3.294 20 30 EGEDLO Cc1nnc([C@H](C)[NH2+]Cc2cc(C#N)ccc2Br)s1 ZINC000276944869 456627393 /nfs/dbraw/zinc/62/73/93/456627393.db2.gz SSLWTFMYFPPGQA-QMMMGPOBSA-N 1 2 337.246 3.332 20 30 EGEDLO CC[N@@H+](CC(=O)N(C)[C@H](C)c1cc2ccccc2o1)C[C@@H](C)C#N ZINC000353332353 456642260 /nfs/dbraw/zinc/64/22/60/456642260.db2.gz PDLZXLAVCWUULY-LSDHHAIUSA-N 1 2 327.428 3.434 20 30 EGEDLO CC[N@H+](CC(=O)N(C)[C@H](C)c1cc2ccccc2o1)C[C@@H](C)C#N ZINC000353332353 456642268 /nfs/dbraw/zinc/64/22/68/456642268.db2.gz PDLZXLAVCWUULY-LSDHHAIUSA-N 1 2 327.428 3.434 20 30 EGEDLO C[C@H]([NH2+]CC#Cc1ccccc1Cl)c1nnnn1-c1ccccc1 ZINC000348360115 456647609 /nfs/dbraw/zinc/64/76/09/456647609.db2.gz UYIUPAFRFIRQPR-AWEZNQCLSA-N 1 2 337.814 3.018 20 30 EGEDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)Nc1ccncc1F ZINC000328587406 456714447 /nfs/dbraw/zinc/71/44/47/456714447.db2.gz NGRBAEHPLBGYBA-UHFFFAOYSA-N 1 2 349.369 3.215 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2OC)C1=O ZINC000343603366 456736942 /nfs/dbraw/zinc/73/69/42/456736942.db2.gz MLAXMKXDEMAYES-CQSZACIVSA-N 1 2 343.254 3.221 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(Cl)cc(Cl)c2OC)C1=O ZINC000343603366 456736951 /nfs/dbraw/zinc/73/69/51/456736951.db2.gz MLAXMKXDEMAYES-CQSZACIVSA-N 1 2 343.254 3.221 20 30 EGEDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1cn2c(n1)CCCC2 ZINC000328690311 456738331 /nfs/dbraw/zinc/73/83/31/456738331.db2.gz DIMCCNFCKSAEQI-UHFFFAOYSA-N 1 2 339.443 3.110 20 30 EGEDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1coc(C2CCCCC2)n1 ZINC000328688998 456738711 /nfs/dbraw/zinc/73/87/11/456738711.db2.gz QGECTUVWEUEYKI-UHFFFAOYSA-N 1 2 335.448 3.138 20 30 EGEDLO CC1(C)COCC[N@H+]1CCNC(=O)c1coc(C2CCCCC2)n1 ZINC000328688998 456738717 /nfs/dbraw/zinc/73/87/17/456738717.db2.gz QGECTUVWEUEYKI-UHFFFAOYSA-N 1 2 335.448 3.138 20 30 EGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N(C)Cc1sccc1C)CCC2 ZINC000328718167 456743857 /nfs/dbraw/zinc/74/38/57/456743857.db2.gz PQVHZNRXYQFCAU-CQSZACIVSA-N 1 2 332.473 3.485 20 30 EGEDLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@H]1CCCC(=O)N1 ZINC000328788674 456761178 /nfs/dbraw/zinc/76/11/78/456761178.db2.gz KHQBPUIDEDMBAD-OAHLLOKOSA-N 1 2 335.835 3.164 20 30 EGEDLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@H]1CCCC(=O)N1 ZINC000328788674 456761185 /nfs/dbraw/zinc/76/11/85/456761185.db2.gz KHQBPUIDEDMBAD-OAHLLOKOSA-N 1 2 335.835 3.164 20 30 EGEDLO CC[C@@H](C(=O)Nc1ccc(N2CCCC2)cn1)[N@@H+]1CCO[C@H](CC)C1 ZINC000328792754 456762390 /nfs/dbraw/zinc/76/23/90/456762390.db2.gz ROGYCMDJYVQSGT-SJORKVTESA-N 1 2 346.475 3.159 20 30 EGEDLO CC[C@@H](C(=O)Nc1ccc(N2CCCC2)cn1)[N@H+]1CCO[C@H](CC)C1 ZINC000328792754 456762393 /nfs/dbraw/zinc/76/23/93/456762393.db2.gz ROGYCMDJYVQSGT-SJORKVTESA-N 1 2 346.475 3.159 20 30 EGEDLO N#CC1CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000328805234 456765570 /nfs/dbraw/zinc/76/55/70/456765570.db2.gz KQXZYYQVUNANIZ-UHFFFAOYSA-N 1 2 347.422 3.383 20 30 EGEDLO Cc1cnc(C2CC[NH+](CC(=O)Nc3sccc3C#N)CC2)s1 ZINC000277333428 456782035 /nfs/dbraw/zinc/78/20/35/456782035.db2.gz DYGNZRMUSCRFIG-UHFFFAOYSA-N 1 2 346.481 3.203 20 30 EGEDLO C[C@@H]1CCN(C([O-])=[NH+]C2CCC(F)(F)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000328913283 456789816 /nfs/dbraw/zinc/78/98/16/456789816.db2.gz PLKJJHNLEBDKPS-OCCSQVGLSA-N 1 2 326.391 3.258 20 30 EGEDLO C[C@@H]1CCN(C(=O)NC2CCC(F)(F)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000328913283 456789823 /nfs/dbraw/zinc/78/98/23/456789823.db2.gz PLKJJHNLEBDKPS-OCCSQVGLSA-N 1 2 326.391 3.258 20 30 EGEDLO C=CC[C@H](CC)NC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000344287206 456813284 /nfs/dbraw/zinc/81/32/84/456813284.db2.gz UNWPSHNUTOOANC-OALUTQOASA-N 1 2 345.487 3.022 20 30 EGEDLO N#CCCCOc1cccc(C[NH2+][C@@H](CO)c2c(F)cccc2F)c1 ZINC000344322489 456816890 /nfs/dbraw/zinc/81/68/90/456816890.db2.gz XXDFQPIZDYVDIB-SFHVURJKSA-N 1 2 346.377 3.471 20 30 EGEDLO Cc1noc([C@@H]2CC[N@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C2)n1 ZINC000329031536 456819034 /nfs/dbraw/zinc/81/90/34/456819034.db2.gz LLNZRMAWTZYFFJ-GFCCVEGCSA-N 1 2 345.428 3.006 20 30 EGEDLO Cc1noc([C@@H]2CC[N@@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C2)n1 ZINC000329031536 456819036 /nfs/dbraw/zinc/81/90/36/456819036.db2.gz LLNZRMAWTZYFFJ-GFCCVEGCSA-N 1 2 345.428 3.006 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCOCC2(CCC2)C1 ZINC000353636796 456821348 /nfs/dbraw/zinc/82/13/48/456821348.db2.gz OXRHLGUTDRUQKE-UHFFFAOYSA-N 1 2 346.496 3.406 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCOCC2(CCC2)C1 ZINC000353636796 456821351 /nfs/dbraw/zinc/82/13/51/456821351.db2.gz OXRHLGUTDRUQKE-UHFFFAOYSA-N 1 2 346.496 3.406 20 30 EGEDLO Cc1noc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3c(F)cccc3F)C2)n1 ZINC000329065493 456826140 /nfs/dbraw/zinc/82/61/40/456826140.db2.gz WEMZFBFUMJQQGL-ONGXEEELSA-N 1 2 336.342 3.122 20 30 EGEDLO Cc1noc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3c(F)cccc3F)C2)n1 ZINC000329065493 456826147 /nfs/dbraw/zinc/82/61/47/456826147.db2.gz WEMZFBFUMJQQGL-ONGXEEELSA-N 1 2 336.342 3.122 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)[C@@H](C)C1 ZINC000329100785 456834344 /nfs/dbraw/zinc/83/43/44/456834344.db2.gz ZMMAYULVKKHPKL-OHFALNGGSA-N 1 2 348.491 3.216 20 30 EGEDLO CCC1(CC)[C@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)[C@H](C)[C@H]1OC ZINC000329149853 456843861 /nfs/dbraw/zinc/84/38/61/456843861.db2.gz QZXPWRPCTYQVHG-IAOVAPTHSA-N 1 2 348.491 3.343 20 30 EGEDLO CCC1(CC)[C@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)[C@H](C)[C@H]1OC ZINC000329149853 456843867 /nfs/dbraw/zinc/84/38/67/456843867.db2.gz QZXPWRPCTYQVHG-IAOVAPTHSA-N 1 2 348.491 3.343 20 30 EGEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCOc3cc(O)ccc3C2)[C@@H]1C ZINC000329206512 456853591 /nfs/dbraw/zinc/85/35/91/456853591.db2.gz YFXOTJXWZSMBOW-CPUCHLNUSA-N 1 2 332.444 3.368 20 30 EGEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCOc3cc(O)ccc3C2)[C@@H]1C ZINC000329206512 456853596 /nfs/dbraw/zinc/85/35/96/456853596.db2.gz YFXOTJXWZSMBOW-CPUCHLNUSA-N 1 2 332.444 3.368 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)N1CCC[C@@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000344807192 456862609 /nfs/dbraw/zinc/86/26/09/456862609.db2.gz ZIQNMCGVVPFQFQ-LJQANCHMSA-N 1 2 348.450 3.456 20 30 EGEDLO CCc1cc(=O)c2cc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)ccc2[nH]1 ZINC000329261801 456863280 /nfs/dbraw/zinc/86/32/80/456863280.db2.gz AZLNLZGWFIOELK-LBPRGKRZSA-N 1 2 336.395 3.138 20 30 EGEDLO C[C@@H]1CCC[C@H](N(C)C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)C1 ZINC000329318455 456871767 /nfs/dbraw/zinc/87/17/67/456871767.db2.gz IGQQTFUKAKMKLG-HYVNUMGLSA-N 1 2 348.491 3.312 20 30 EGEDLO O=C(Nc1cnc2c(c1)CCCC2)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000329326094 456872965 /nfs/dbraw/zinc/87/29/65/456872965.db2.gz JCOWEMLODBNHDM-INIZCTEOSA-N 1 2 325.416 3.456 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCC(C)(C#N)CC1)C2 ZINC000329481912 456897547 /nfs/dbraw/zinc/89/75/47/456897547.db2.gz DNKSDQKGXWMGAG-AWEZNQCLSA-N 1 2 343.475 3.035 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)C2)[nH]1 ZINC000329491991 456899288 /nfs/dbraw/zinc/89/92/88/456899288.db2.gz VVXXVHHXOXDSSA-AZGDMVHKSA-N 1 2 347.507 3.462 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)C2)[nH]1 ZINC000329491991 456899291 /nfs/dbraw/zinc/89/92/91/456899291.db2.gz VVXXVHHXOXDSSA-AZGDMVHKSA-N 1 2 347.507 3.462 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)C2)n1 ZINC000329491991 456899293 /nfs/dbraw/zinc/89/92/93/456899293.db2.gz VVXXVHHXOXDSSA-AZGDMVHKSA-N 1 2 347.507 3.462 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)C2)n1 ZINC000329491991 456899295 /nfs/dbraw/zinc/89/92/95/456899295.db2.gz VVXXVHHXOXDSSA-AZGDMVHKSA-N 1 2 347.507 3.462 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)C2)n[nH]1 ZINC000329491991 456899298 /nfs/dbraw/zinc/89/92/98/456899298.db2.gz VVXXVHHXOXDSSA-AZGDMVHKSA-N 1 2 347.507 3.462 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@H+]([C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)C2)n[nH]1 ZINC000329491991 456899300 /nfs/dbraw/zinc/89/93/00/456899300.db2.gz VVXXVHHXOXDSSA-AZGDMVHKSA-N 1 2 347.507 3.462 20 30 EGEDLO Cc1cc(NC(=O)[C@@H]2CCCN2C(N)=O)c[nH+]c1N1CCCC[C@H]1C ZINC000329522854 456903996 /nfs/dbraw/zinc/90/39/96/456903996.db2.gz RIAHJHQDSZZJRV-HIFRSBDPSA-N 1 2 345.447 3.314 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccon1 ZINC000349254655 456925636 /nfs/dbraw/zinc/92/56/36/456925636.db2.gz ZYJBWZRRGBQNIR-OLZOCXBDSA-N 1 2 344.440 3.216 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c2ccon2)c1 ZINC000349254505 456925802 /nfs/dbraw/zinc/92/58/02/456925802.db2.gz YMYDOXHXNIIRSF-HOTGVXAUSA-N 1 2 340.427 3.277 20 30 EGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2C[C@@]23CCOC3)C[C@@H](C)O1 ZINC000329681869 456926843 /nfs/dbraw/zinc/92/68/43/456926843.db2.gz XCJGBLCKTUMOPW-RNKNFESXSA-N 1 2 344.455 3.310 20 30 EGEDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2cccc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000345167253 456950291 /nfs/dbraw/zinc/95/02/91/456950291.db2.gz YDLVUUKQZLBJOV-AEFFLSMTSA-N 1 2 342.830 3.090 20 30 EGEDLO C[N@H+]1CCO[C@@H]([C@@H](Nc2cccc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000345167253 456950298 /nfs/dbraw/zinc/95/02/98/456950298.db2.gz YDLVUUKQZLBJOV-AEFFLSMTSA-N 1 2 342.830 3.090 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1oc(CC3CC3)nc1C)CCC2 ZINC000330006329 456973228 /nfs/dbraw/zinc/97/32/28/456973228.db2.gz DZYHELQXBYKEMS-AWEZNQCLSA-N 1 2 328.416 3.323 20 30 EGEDLO Cc1nc(CC(C)C)oc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000330010911 456973936 /nfs/dbraw/zinc/97/39/36/456973936.db2.gz HJJNIXNSOUQXDA-UHFFFAOYSA-N 1 2 330.432 3.262 20 30 EGEDLO O=C(Nc1cnc2c(c1)CCCC2)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000330022303 456976363 /nfs/dbraw/zinc/97/63/63/456976363.db2.gz ZHUFRWLKHSUEOU-SFHVURJKSA-N 1 2 329.444 3.192 20 30 EGEDLO O=C(Nc1cnc2c(c1)CCCC2)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000330022303 456976366 /nfs/dbraw/zinc/97/63/66/456976366.db2.gz ZHUFRWLKHSUEOU-SFHVURJKSA-N 1 2 329.444 3.192 20 30 EGEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CC2(CCC2)c2c1cccc2F ZINC000330274547 457018700 /nfs/dbraw/zinc/01/87/00/457018700.db2.gz KHHBWNNPOWKDOF-CYBMUJFWSA-N 1 2 340.402 3.193 20 30 EGEDLO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(F)cc2C#N)cc1 ZINC000341960900 457026141 /nfs/dbraw/zinc/02/61/41/457026141.db2.gz FXQQIKLCZPNZGW-ZDUSSCGKSA-N 1 2 346.427 3.342 20 30 EGEDLO CC[C@H](OC1CCCC1)C(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330327146 457028064 /nfs/dbraw/zinc/02/80/64/457028064.db2.gz KRRRCDAZDMJROO-XOKHGSTOSA-N 1 2 335.448 3.335 20 30 EGEDLO Cc1ccc(NC(=O)C2CC[NH+](Cc3nnc(C(C)C)[nH]3)CC2)nc1 ZINC000330337331 457030173 /nfs/dbraw/zinc/03/01/73/457030173.db2.gz ZWNWPBDUWIHCQR-UHFFFAOYSA-N 1 2 342.447 3.132 20 30 EGEDLO CC[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1cc(F)ccc1F ZINC000341981112 457039484 /nfs/dbraw/zinc/03/94/84/457039484.db2.gz ITZQQKJWUUMLFE-SJORKVTESA-N 1 2 329.350 3.104 20 30 EGEDLO C=CCOc1ccc(CNC(=O)Cn2c(C)[nH+]c3ccccc32)cc1 ZINC000359057299 457050472 /nfs/dbraw/zinc/05/04/72/457050472.db2.gz CDMGBQPIPVWBLP-UHFFFAOYSA-N 1 2 335.407 3.226 20 30 EGEDLO N#Cc1ccc(CCC(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)cc1 ZINC000342020373 457063612 /nfs/dbraw/zinc/06/36/12/457063612.db2.gz HOPIMSSUOZZVOD-UHFFFAOYSA-N 1 2 330.391 3.197 20 30 EGEDLO C[C@H](CC1CCOCC1)C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000349828724 457068911 /nfs/dbraw/zinc/06/89/11/457068911.db2.gz BQUVEJCKXSAPBR-NQIIRXRSSA-N 1 2 341.499 3.149 20 30 EGEDLO C[C@H](CC1CCOCC1)C[N@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000349828724 457068914 /nfs/dbraw/zinc/06/89/14/457068914.db2.gz BQUVEJCKXSAPBR-NQIIRXRSSA-N 1 2 341.499 3.149 20 30 EGEDLO C[C@@H](CC1CCOCC1)C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000349828725 457069091 /nfs/dbraw/zinc/06/90/91/457069091.db2.gz BQUVEJCKXSAPBR-RXVVDRJESA-N 1 2 341.499 3.149 20 30 EGEDLO C[C@@H](CC1CCOCC1)C[N@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000349828725 457069095 /nfs/dbraw/zinc/06/90/95/457069095.db2.gz BQUVEJCKXSAPBR-RXVVDRJESA-N 1 2 341.499 3.149 20 30 EGEDLO CC[N@H+](CCC#N)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000349829103 457069237 /nfs/dbraw/zinc/06/92/37/457069237.db2.gz BFMUHZMAQRWPKJ-UHFFFAOYSA-N 1 2 333.233 3.370 20 30 EGEDLO CC[N@@H+](CCC#N)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000349829103 457069239 /nfs/dbraw/zinc/06/92/39/457069239.db2.gz BFMUHZMAQRWPKJ-UHFFFAOYSA-N 1 2 333.233 3.370 20 30 EGEDLO COCCCN(C)C(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000330779176 457084484 /nfs/dbraw/zinc/08/44/84/457084484.db2.gz MGTJFJIUNFOVIS-OAHLLOKOSA-N 1 2 334.464 3.283 20 30 EGEDLO C[C@@H](CNC(=O)c1cc(Cl)cc(Br)c1O)[NH+](C)C ZINC000331259532 457156017 /nfs/dbraw/zinc/15/60/17/457156017.db2.gz IVJJOOMXIVEECO-ZETCQYMHSA-N 1 2 335.629 3.063 20 30 EGEDLO C=CC[N@H+](Cc1cccs1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000342135458 457128375 /nfs/dbraw/zinc/12/83/75/457128375.db2.gz LMTFIQSVKOMUIC-SFHVURJKSA-N 1 2 337.448 3.413 20 30 EGEDLO C=CC[N@@H+](Cc1cccs1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000342135458 457128380 /nfs/dbraw/zinc/12/83/80/457128380.db2.gz LMTFIQSVKOMUIC-SFHVURJKSA-N 1 2 337.448 3.413 20 30 EGEDLO Cc1cc[nH+]c(N2CCN(Cc3ccc(Cl)cc3C#N)CC2)c1 ZINC000359907346 457141796 /nfs/dbraw/zinc/14/17/96/457141796.db2.gz VVCBRNCMMNXNQA-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO N#Cc1ccnc(NCc2cc[nH+]c(N3CCCCCC3)c2)c1Cl ZINC000342246464 457189205 /nfs/dbraw/zinc/18/92/05/457189205.db2.gz RQDLLSZOANEXJK-UHFFFAOYSA-N 1 2 341.846 3.416 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000354831174 457322141 /nfs/dbraw/zinc/32/21/41/457322141.db2.gz OETSESDSDBCCBC-KFWWJZLASA-N 1 2 331.435 3.141 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000354831174 457322146 /nfs/dbraw/zinc/32/21/46/457322146.db2.gz OETSESDSDBCCBC-KFWWJZLASA-N 1 2 331.435 3.141 20 30 EGEDLO Cc1n[nH]c(C)c1C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000355321887 457357540 /nfs/dbraw/zinc/35/75/40/457357540.db2.gz UUUYTEUNCZCUKN-SFHVURJKSA-N 1 2 343.862 3.062 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1C ZINC000352410248 457361514 /nfs/dbraw/zinc/36/15/14/457361514.db2.gz PODGZSXWQZZNNG-MRXNPFEDSA-N 1 2 346.862 3.271 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1C ZINC000352410248 457361521 /nfs/dbraw/zinc/36/15/21/457361521.db2.gz PODGZSXWQZZNNG-MRXNPFEDSA-N 1 2 346.862 3.271 20 30 EGEDLO Cc1cc2[nH]c(C[NH+]3CCN(c4ncccc4C#N)CC3)cc2c(C)c1 ZINC000360822264 457370128 /nfs/dbraw/zinc/37/01/28/457370128.db2.gz PLEFGDWNSVOUPQ-UHFFFAOYSA-N 1 2 345.450 3.374 20 30 EGEDLO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC(F)(C#N)CC1 ZINC000352441999 457370951 /nfs/dbraw/zinc/37/09/51/457370951.db2.gz IDZLZMBEXBLKDQ-UONOGXRCSA-N 1 2 335.448 3.128 20 30 EGEDLO CCc1ccc([C@@H](C)NC(=O)[C@H](C)[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000352459090 457384968 /nfs/dbraw/zinc/38/49/68/457384968.db2.gz TUZCLSDJSDVFOY-CABCVRRESA-N 1 2 331.435 3.142 20 30 EGEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@](C)(F)C2)ccc1Cl ZINC000347380879 457389116 /nfs/dbraw/zinc/38/91/16/457389116.db2.gz NDJPEIHVOROLAG-QGZVFWFLSA-N 1 2 337.826 3.329 20 30 EGEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@](C)(F)C2)ccc1Cl ZINC000347380879 457389123 /nfs/dbraw/zinc/38/91/23/457389123.db2.gz NDJPEIHVOROLAG-QGZVFWFLSA-N 1 2 337.826 3.329 20 30 EGEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@](C)(F)C2)ccc1Cl ZINC000347380877 457389936 /nfs/dbraw/zinc/38/99/36/457389936.db2.gz NDJPEIHVOROLAG-KRWDZBQOSA-N 1 2 337.826 3.329 20 30 EGEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@](C)(F)C2)ccc1Cl ZINC000347380877 457389942 /nfs/dbraw/zinc/38/99/42/457389942.db2.gz NDJPEIHVOROLAG-KRWDZBQOSA-N 1 2 337.826 3.329 20 30 EGEDLO CC(C)C[C@H](NC(=O)C[NH+]1CCC(F)(C#N)CC1)c1ccccc1 ZINC000352490148 457410628 /nfs/dbraw/zinc/41/06/28/457410628.db2.gz GFYNZXWBLBMLBO-KRWDZBQOSA-N 1 2 331.435 3.218 20 30 EGEDLO C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC000347459284 457441557 /nfs/dbraw/zinc/44/15/57/457441557.db2.gz HARDXWHOZMEBFG-AWEZNQCLSA-N 1 2 348.288 3.431 20 30 EGEDLO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC2(C#N)CC2)CC1 ZINC000347459284 457441560 /nfs/dbraw/zinc/44/15/60/457441560.db2.gz HARDXWHOZMEBFG-AWEZNQCLSA-N 1 2 348.288 3.431 20 30 EGEDLO Cn1c2ccccc2[nH+]c1CCN1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000363934262 457464427 /nfs/dbraw/zinc/46/44/27/457464427.db2.gz WTYOMUMIZAGIFD-AZUAARDMSA-N 1 2 338.455 3.043 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[N@H+](Cc3ccncc3)C3CC3)o2)c1 ZINC000357356068 457468409 /nfs/dbraw/zinc/46/84/09/457468409.db2.gz FLJQWVNBEWIDIT-UHFFFAOYSA-N 1 2 331.379 3.168 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[N@@H+](Cc3ccncc3)C3CC3)o2)c1 ZINC000357356068 457468416 /nfs/dbraw/zinc/46/84/16/457468416.db2.gz FLJQWVNBEWIDIT-UHFFFAOYSA-N 1 2 331.379 3.168 20 30 EGEDLO Cc1cc(N2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c(C#N)c[nH+]1 ZINC000425269354 457476166 /nfs/dbraw/zinc/47/61/66/457476166.db2.gz QVJYTLZQOPWFMI-HNNXBMFYSA-N 1 2 339.361 3.447 20 30 EGEDLO N#Cc1cc(NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)ccc1F ZINC000360978421 457483907 /nfs/dbraw/zinc/48/39/07/457483907.db2.gz IBOLKTVSXQOERJ-UHFFFAOYSA-N 1 2 335.342 3.205 20 30 EGEDLO N#Cc1ncccc1N1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000357447685 457534159 /nfs/dbraw/zinc/53/41/59/457534159.db2.gz DMSCUZNVWQKBBC-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO CC(C)COC[C@H]([NH2+][C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1ccco1 ZINC000347630571 457562562 /nfs/dbraw/zinc/56/25/62/457562562.db2.gz DNHNYDSHOPXKHU-GJYPPUQNSA-N 1 2 349.475 3.026 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1nc2ccc(OCC)cc2s1)C1CC1 ZINC000357553892 457592003 /nfs/dbraw/zinc/59/20/03/457592003.db2.gz PRBDMRHVYRCEGV-UHFFFAOYSA-N 1 2 331.441 3.284 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1nc2ccc(OCC)cc2s1)C1CC1 ZINC000357553892 457592009 /nfs/dbraw/zinc/59/20/09/457592009.db2.gz PRBDMRHVYRCEGV-UHFFFAOYSA-N 1 2 331.441 3.284 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CC[C@@H](C)C[C@@H]2C(=O)OC)cc1OC ZINC000361151485 457616072 /nfs/dbraw/zinc/61/60/72/457616072.db2.gz FREQDALCLIYBSO-GDBMZVCRSA-N 1 2 333.428 3.034 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(=O)OC)cc1OC ZINC000361151485 457616076 /nfs/dbraw/zinc/61/60/76/457616076.db2.gz FREQDALCLIYBSO-GDBMZVCRSA-N 1 2 333.428 3.034 20 30 EGEDLO C[C@@H](c1c(F)cccc1F)[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000357625470 457629827 /nfs/dbraw/zinc/62/98/27/457629827.db2.gz SYPAVJMQZBQTNP-DZGCQCFKSA-N 1 2 346.377 3.269 20 30 EGEDLO C[C@@H](c1c(F)cccc1F)[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000357625470 457629831 /nfs/dbraw/zinc/62/98/31/457629831.db2.gz SYPAVJMQZBQTNP-DZGCQCFKSA-N 1 2 346.377 3.269 20 30 EGEDLO Cc1nc(N2CCC(C#N)(c3ccccn3)CC2)c2c([nH+]1)CCCC2 ZINC000374495797 457642078 /nfs/dbraw/zinc/64/20/78/457642078.db2.gz KVFHBFUZZLROQA-UHFFFAOYSA-N 1 2 333.439 3.121 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@@H+](Cc3nc(C)c(C)o3)CC2)CCC1 ZINC000364591566 457650376 /nfs/dbraw/zinc/65/03/76/457650376.db2.gz SBHHZRSOCUWDOI-UHFFFAOYSA-N 1 2 331.460 3.072 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@H+](Cc3nc(C)c(C)o3)CC2)CCC1 ZINC000364591566 457650379 /nfs/dbraw/zinc/65/03/79/457650379.db2.gz SBHHZRSOCUWDOI-UHFFFAOYSA-N 1 2 331.460 3.072 20 30 EGEDLO C=CCOc1cccc(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000364612562 457658054 /nfs/dbraw/zinc/65/80/54/457658054.db2.gz CJQUMLHWCCRPIB-HNNXBMFYSA-N 1 2 340.427 3.396 20 30 EGEDLO C#CCC1(C(=O)NC2CC[NH+](Cc3cscn3)CC2)CCCCC1 ZINC000364955420 457719031 /nfs/dbraw/zinc/71/90/31/457719031.db2.gz OAJGQPQMFWLQJE-UHFFFAOYSA-N 1 2 345.512 3.198 20 30 EGEDLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433291433 457799902 /nfs/dbraw/zinc/79/99/02/457799902.db2.gz WDRYCCCIQOOQLU-UHFFFAOYSA-N 1 2 342.270 3.433 20 30 EGEDLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433291433 457799910 /nfs/dbraw/zinc/79/99/10/457799910.db2.gz WDRYCCCIQOOQLU-UHFFFAOYSA-N 1 2 342.270 3.433 20 30 EGEDLO C=CC[N@H+](C[C@@H]1CCCCO1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000444685437 457939069 /nfs/dbraw/zinc/93/90/69/457939069.db2.gz RPSQDWYBCMLEMN-OALUTQOASA-N 1 2 331.456 3.218 20 30 EGEDLO C=CC[N@@H+](C[C@@H]1CCCCO1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000444685437 457939074 /nfs/dbraw/zinc/93/90/74/457939074.db2.gz RPSQDWYBCMLEMN-OALUTQOASA-N 1 2 331.456 3.218 20 30 EGEDLO C=CC[N@H+](CCCS(=O)(=O)c1cccc(C)c1)CCc1ccco1 ZINC000362186209 458040424 /nfs/dbraw/zinc/04/04/24/458040424.db2.gz YXEIRKKBOJZKTQ-UHFFFAOYSA-N 1 2 347.480 3.483 20 30 EGEDLO C=CC[N@@H+](CCCS(=O)(=O)c1cccc(C)c1)CCc1ccco1 ZINC000362186209 458040432 /nfs/dbraw/zinc/04/04/32/458040432.db2.gz YXEIRKKBOJZKTQ-UHFFFAOYSA-N 1 2 347.480 3.483 20 30 EGEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)NCC(C)(C)C#N ZINC000358626021 458114871 /nfs/dbraw/zinc/11/48/71/458114871.db2.gz JLCNQGBHEQTBRB-HNNXBMFYSA-N 1 2 339.443 3.069 20 30 EGEDLO C=C(C)[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(F)c(F)c1 ZINC000358651515 458129235 /nfs/dbraw/zinc/12/92/35/458129235.db2.gz NDRFNUNWXMALNY-DYVFJYSZSA-N 1 2 331.366 3.157 20 30 EGEDLO Cn1c2ccc(CNC(=O)c3cccc(F)c3C#N)cc2[nH+]c1C1CC1 ZINC000412335969 458172400 /nfs/dbraw/zinc/17/24/00/458172400.db2.gz XBWURPHLHLLSOL-UHFFFAOYSA-N 1 2 348.381 3.391 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000362480505 458207560 /nfs/dbraw/zinc/20/75/60/458207560.db2.gz AGXQGVOJWDGGPX-MRXNPFEDSA-N 1 2 343.446 3.313 20 30 EGEDLO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1C[C@H](C#N)CCC#N ZINC000428991704 458249031 /nfs/dbraw/zinc/24/90/31/458249031.db2.gz ITRDLXRHAMETIP-KGLIPLIRSA-N 1 2 334.826 3.433 20 30 EGEDLO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1C[C@H](C#N)CCC#N ZINC000428991704 458249033 /nfs/dbraw/zinc/24/90/33/458249033.db2.gz ITRDLXRHAMETIP-KGLIPLIRSA-N 1 2 334.826 3.433 20 30 EGEDLO C[C@@H]1CN(c2cccc3cnccc32)CC[N@@H+]1C[C@H](C#N)CCC#N ZINC000447395079 458292084 /nfs/dbraw/zinc/29/20/84/458292084.db2.gz RMWKUEMWBBQVBY-SJORKVTESA-N 1 2 333.439 3.189 20 30 EGEDLO C[C@@H]1CN(c2cccc3cnccc32)CC[N@H+]1C[C@H](C#N)CCC#N ZINC000447395079 458292087 /nfs/dbraw/zinc/29/20/87/458292087.db2.gz RMWKUEMWBBQVBY-SJORKVTESA-N 1 2 333.439 3.189 20 30 EGEDLO C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[NH+]1Cc1ccc(C#N)cc1F ZINC000429395860 458327894 /nfs/dbraw/zinc/32/78/94/458327894.db2.gz DHJDPMXWRKTUKE-KBPBESRZSA-N 1 2 331.435 3.165 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459360533 458343543 /nfs/dbraw/zinc/34/35/43/458343543.db2.gz OQCNXEQJRHJQEC-ZWKOTPCHSA-N 1 2 334.423 3.331 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459360533 458343549 /nfs/dbraw/zinc/34/35/49/458343549.db2.gz OQCNXEQJRHJQEC-ZWKOTPCHSA-N 1 2 334.423 3.331 20 30 EGEDLO COC(=O)[C@@H](c1ccccc1C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376596659 458349636 /nfs/dbraw/zinc/34/96/36/458349636.db2.gz WHSSMFSZOVSIKD-LJQANCHMSA-N 1 2 349.434 3.162 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420949307 458404256 /nfs/dbraw/zinc/40/42/56/458404256.db2.gz ORHCYKNMTRTHCM-HIFRSBDPSA-N 1 2 340.345 3.437 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420949307 458404260 /nfs/dbraw/zinc/40/42/60/458404260.db2.gz ORHCYKNMTRTHCM-HIFRSBDPSA-N 1 2 340.345 3.437 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420949309 458404486 /nfs/dbraw/zinc/40/44/86/458404486.db2.gz ORHCYKNMTRTHCM-UKRRQHHQSA-N 1 2 340.345 3.437 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420949309 458404490 /nfs/dbraw/zinc/40/44/90/458404490.db2.gz ORHCYKNMTRTHCM-UKRRQHHQSA-N 1 2 340.345 3.437 20 30 EGEDLO C[C@H](C[N@H+](CCC#N)CC(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000449023619 458419471 /nfs/dbraw/zinc/41/94/71/458419471.db2.gz SLMYYXQODAYZPU-OAHLLOKOSA-N 1 2 336.501 3.455 20 30 EGEDLO C[C@H](C[N@@H+](CCC#N)CC(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000449023619 458419477 /nfs/dbraw/zinc/41/94/77/458419477.db2.gz SLMYYXQODAYZPU-OAHLLOKOSA-N 1 2 336.501 3.455 20 30 EGEDLO CCOC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000459702933 458451143 /nfs/dbraw/zinc/45/11/43/458451143.db2.gz GCZCOQFCXLZFGF-AWEZNQCLSA-N 1 2 335.473 3.066 20 30 EGEDLO CCOC[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000459702933 458451147 /nfs/dbraw/zinc/45/11/47/458451147.db2.gz GCZCOQFCXLZFGF-AWEZNQCLSA-N 1 2 335.473 3.066 20 30 EGEDLO N#C[C@@]1(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC12CCCC2 ZINC000450541855 458451931 /nfs/dbraw/zinc/45/19/31/458451931.db2.gz RUNQGAHQUUAOIK-HXUWFJFHSA-N 1 2 340.471 3.376 20 30 EGEDLO N#CCSCCC[N@H+]1CCOc2c(Br)cccc2C1 ZINC000373402503 458482793 /nfs/dbraw/zinc/48/27/93/458482793.db2.gz BFVGFQOKYJPUAM-UHFFFAOYSA-N 1 2 341.274 3.290 20 30 EGEDLO N#CCSCCC[N@@H+]1CCOc2c(Br)cccc2C1 ZINC000373402503 458482797 /nfs/dbraw/zinc/48/27/97/458482797.db2.gz BFVGFQOKYJPUAM-UHFFFAOYSA-N 1 2 341.274 3.290 20 30 EGEDLO C#Cc1ccc(C[NH2+][C@@H](c2nccn2C)c2ccccc2OC)cc1 ZINC000377620146 458506060 /nfs/dbraw/zinc/50/60/60/458506060.db2.gz VQGPBUYRHVIOQA-HXUWFJFHSA-N 1 2 331.419 3.289 20 30 EGEDLO C=CC(C)(C)CNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000454646736 458570613 /nfs/dbraw/zinc/57/06/13/458570613.db2.gz QCWFQBKOVDRYHK-CQSZACIVSA-N 1 2 325.403 3.079 20 30 EGEDLO C=CCC[C@H](CO)NC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000455109378 458585724 /nfs/dbraw/zinc/58/57/24/458585724.db2.gz PNGOGYLXDITMKV-HZPDHXFCSA-N 1 2 346.475 3.217 20 30 EGEDLO N#Cc1cccc(-c2csc(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)n2)c1 ZINC000373746784 458590656 /nfs/dbraw/zinc/59/06/56/458590656.db2.gz QQYHXTKRKBXHNJ-CQSZACIVSA-N 1 2 349.419 3.079 20 30 EGEDLO C=CC(C)(C)CNC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000455360136 458594941 /nfs/dbraw/zinc/59/49/41/458594941.db2.gz BTUAHPMXFQFTOU-UHFFFAOYSA-N 1 2 345.487 3.125 20 30 EGEDLO C=C[C@H]1CCCCN1C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000494178451 458636543 /nfs/dbraw/zinc/63/65/43/458636543.db2.gz FPMXJRIHBKILRP-IRXDYDNUSA-N 1 2 342.418 3.399 20 30 EGEDLO C=CCC(C)(C)CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000432071053 458671296 /nfs/dbraw/zinc/67/12/96/458671296.db2.gz FDRNDNKKPYIBLD-UHFFFAOYSA-N 1 2 340.471 3.375 20 30 EGEDLO N#C[C@H]1C[N@H+](CC2Cc3ccccc3C2)CCN1Cc1ccccc1 ZINC000548711799 458873456 /nfs/dbraw/zinc/87/34/56/458873456.db2.gz JORVGOPGRXSJRU-QFIPXVFZSA-N 1 2 331.463 3.111 20 30 EGEDLO N#C[C@H]1C[N@@H+](CC2Cc3ccccc3C2)CCN1Cc1ccccc1 ZINC000548711799 458873458 /nfs/dbraw/zinc/87/34/58/458873458.db2.gz JORVGOPGRXSJRU-QFIPXVFZSA-N 1 2 331.463 3.111 20 30 EGEDLO CC#CC[N@H+](C)CC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000550502963 458886582 /nfs/dbraw/zinc/88/65/82/458886582.db2.gz CHNGTZYPURIIJI-UHFFFAOYSA-N 1 2 339.464 3.268 20 30 EGEDLO CC#CC[N@@H+](C)CC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000550502963 458886589 /nfs/dbraw/zinc/88/65/89/458886589.db2.gz CHNGTZYPURIIJI-UHFFFAOYSA-N 1 2 339.464 3.268 20 30 EGEDLO Cc1sc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1-c1ccc(F)cc1 ZINC000555482722 458906878 /nfs/dbraw/zinc/90/68/78/458906878.db2.gz IAJNKFQIVOSMRN-GOSISDBHSA-N 1 2 345.443 3.436 20 30 EGEDLO C=CCOc1ccccc1C[NH2+]Cc1cn(-c2ccccc2C)nn1 ZINC000577019928 458964937 /nfs/dbraw/zinc/96/49/37/458964937.db2.gz ORFLZZOLZVOMPT-UHFFFAOYSA-N 1 2 334.423 3.430 20 30 EGEDLO N#Cc1csc(C[N@H+]2CCCC[C@@H]2COC(=O)NC2CCCC2)n1 ZINC000495848236 458976329 /nfs/dbraw/zinc/97/63/29/458976329.db2.gz FMUBTYUXDLCZAB-OAHLLOKOSA-N 1 2 348.472 3.038 20 30 EGEDLO N#Cc1csc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CCCC2)n1 ZINC000495848236 458976337 /nfs/dbraw/zinc/97/63/37/458976337.db2.gz FMUBTYUXDLCZAB-OAHLLOKOSA-N 1 2 348.472 3.038 20 30 EGEDLO Cc1csc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1C#N ZINC000567211874 459064255 /nfs/dbraw/zinc/06/42/55/459064255.db2.gz QVONGPWWBUVOEQ-UHFFFAOYSA-N 1 2 341.440 3.245 20 30 EGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2ccnn2C2CCCC2)CC1 ZINC000567214115 459065918 /nfs/dbraw/zinc/06/59/18/459065918.db2.gz FUIJQDLREYDCLU-UHFFFAOYSA-N 1 2 335.455 3.451 20 30 EGEDLO C[C@H](CC#N)[NH2+]Cc1cc(Cl)ccc1I ZINC000594712275 459137181 /nfs/dbraw/zinc/13/71/81/459137181.db2.gz UNESOFFMRAPMQG-MRVPVSSYSA-N 1 2 334.588 3.336 20 30 EGEDLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CCC#N)CC1 ZINC000567791315 459169596 /nfs/dbraw/zinc/16/95/96/459169596.db2.gz NHHQEBQNRHHVRI-CQSZACIVSA-N 1 2 327.428 3.232 20 30 EGEDLO N#CCCC1CC[NH+](CC(=O)Nc2nc(-c3ccco3)cs2)CC1 ZINC000578863547 459239188 /nfs/dbraw/zinc/23/91/88/459239188.db2.gz QGZXRMSYNNIJPH-UHFFFAOYSA-N 1 2 344.440 3.357 20 30 EGEDLO Cc1cc2[nH+]cn(C[C@H](O)COc3ccc(C#N)cc3C)c2cc1C ZINC000559298138 459250485 /nfs/dbraw/zinc/25/04/85/459250485.db2.gz VOABHVBUTUOUEX-KRWDZBQOSA-N 1 2 335.407 3.273 20 30 EGEDLO Cn1cc[nH+]c1[C@H](CC(=O)Nc1ccccc1CC#N)C(F)(F)F ZINC000579857990 459253035 /nfs/dbraw/zinc/25/30/35/459253035.db2.gz NVXCEVRKAWNSTI-LBPRGKRZSA-N 1 2 336.317 3.161 20 30 EGEDLO C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000580524891 459260264 /nfs/dbraw/zinc/26/02/64/459260264.db2.gz ZMMOECAIKZUYGR-XJKSGUPXSA-N 1 2 328.391 3.426 20 30 EGEDLO N#CC1(CC[N@@H+]2CCc3c(nnn3-c3ccccc3)C2)CCCCC1 ZINC000581415680 459272950 /nfs/dbraw/zinc/27/29/50/459272950.db2.gz IWQHPQSSNHFKQA-UHFFFAOYSA-N 1 2 335.455 3.490 20 30 EGEDLO N#CC1(CC[N@H+]2CCc3c(nnn3-c3ccccc3)C2)CCCCC1 ZINC000581415680 459272956 /nfs/dbraw/zinc/27/29/56/459272956.db2.gz IWQHPQSSNHFKQA-UHFFFAOYSA-N 1 2 335.455 3.490 20 30 EGEDLO N#CCCC1CC[NH+](Cc2nc(Cc3cccc(F)c3)no2)CC1 ZINC000582060578 459300198 /nfs/dbraw/zinc/30/01/98/459300198.db2.gz QQGFXKZBJYKTJW-UHFFFAOYSA-N 1 2 328.391 3.315 20 30 EGEDLO C=C(C)COc1cc(C[N@H+]2CC[C@H](C)C[C@@H]2C(=O)OC)ccc1OC ZINC000482489180 459311680 /nfs/dbraw/zinc/31/16/80/459311680.db2.gz SWLRETSPFOINON-DOTOQJQBSA-N 1 2 347.455 3.424 20 30 EGEDLO C=C(C)COc1cc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(=O)OC)ccc1OC ZINC000482489180 459311685 /nfs/dbraw/zinc/31/16/85/459311685.db2.gz SWLRETSPFOINON-DOTOQJQBSA-N 1 2 347.455 3.424 20 30 EGEDLO C[C@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)[C@H]1CCO ZINC000595697574 459401317 /nfs/dbraw/zinc/40/13/17/459401317.db2.gz LTXUIMFETBTLKA-LRDDRELGSA-N 1 2 337.261 3.304 20 30 EGEDLO C[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)[C@H]1CCO ZINC000595697574 459401323 /nfs/dbraw/zinc/40/13/23/459401323.db2.gz LTXUIMFETBTLKA-LRDDRELGSA-N 1 2 337.261 3.304 20 30 EGEDLO N#CCC[C@H](C#N)C[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000595733250 459418533 /nfs/dbraw/zinc/41/85/33/459418533.db2.gz HVZNRMNEKYGPPY-CQSZACIVSA-N 1 2 347.260 3.015 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000595784612 459438692 /nfs/dbraw/zinc/43/86/92/459438692.db2.gz SXBZSKXKSZWMTK-RTBURBONSA-N 1 2 342.439 3.053 20 30 EGEDLO CCC[N@H+](Cc1ccccc1F)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000595784664 459440063 /nfs/dbraw/zinc/44/00/63/459440063.db2.gz UVHVIVFIRMZOSW-GOSISDBHSA-N 1 2 325.387 3.136 20 30 EGEDLO CCC[N@@H+](Cc1ccccc1F)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000595784664 459440069 /nfs/dbraw/zinc/44/00/69/459440069.db2.gz UVHVIVFIRMZOSW-GOSISDBHSA-N 1 2 325.387 3.136 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000591845427 459453928 /nfs/dbraw/zinc/45/39/28/459453928.db2.gz HUKIFHMKADBOPQ-MRXNPFEDSA-N 1 2 348.450 3.276 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)[C@@H]2C1 ZINC000497276194 459512750 /nfs/dbraw/zinc/51/27/50/459512750.db2.gz FFMDSFUGXXYQGX-NVXWUHKLSA-N 1 2 345.418 3.139 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)[C@@H]2C1 ZINC000497276194 459512755 /nfs/dbraw/zinc/51/27/55/459512755.db2.gz FFMDSFUGXXYQGX-NVXWUHKLSA-N 1 2 345.418 3.139 20 30 EGEDLO C[NH+](C)[C@@H](CNc1nc(C#N)c(Cl)s1)c1c(F)cccc1F ZINC000596129893 459531430 /nfs/dbraw/zinc/53/14/30/459531430.db2.gz RXVJORWZRJKYKF-NSHDSACASA-N 1 2 342.802 3.083 20 30 EGEDLO Cc1ccc2ncc(C#N)c(NCCc3cn4ccccc4[nH+]3)c2c1 ZINC000487904684 459535900 /nfs/dbraw/zinc/53/59/00/459535900.db2.gz FMLRIXIUVRHYAF-UHFFFAOYSA-N 1 2 327.391 3.139 20 30 EGEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000488077306 459537685 /nfs/dbraw/zinc/53/76/85/459537685.db2.gz QMBLUIQZEMMIBN-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO COc1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c(F)c1 ZINC000570520362 459557780 /nfs/dbraw/zinc/55/77/80/459557780.db2.gz UPHCWTLOOSLGCN-UHFFFAOYSA-N 1 2 325.387 3.287 20 30 EGEDLO N#CCC[C@H](C#N)C[NH2+][C@@H]1COc2cc(F)c(Br)cc21 ZINC000583576205 459562457 /nfs/dbraw/zinc/56/24/57/459562457.db2.gz HRYHJKZOGAHNAV-NOZJJQNGSA-N 1 2 338.180 3.055 20 30 EGEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000489412795 459563633 /nfs/dbraw/zinc/56/36/33/459563633.db2.gz XGDYUHGACLCQCT-WMZOPIPTSA-N 1 2 341.480 3.389 20 30 EGEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000489412795 459563638 /nfs/dbraw/zinc/56/36/38/459563638.db2.gz XGDYUHGACLCQCT-WMZOPIPTSA-N 1 2 341.480 3.389 20 30 EGEDLO Cc1nc(C2CCCCC2)sc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000572769129 459583418 /nfs/dbraw/zinc/58/34/18/459583418.db2.gz PRAJRRHKHLQFKK-QGZVFWFLSA-N 1 2 334.489 3.073 20 30 EGEDLO C#CCN(CC)C(=O)c1ccccc1OCc1cn2cccc(C)c2[nH+]1 ZINC000490891926 459589805 /nfs/dbraw/zinc/58/98/05/459589805.db2.gz IOMAEIZQZRDQOS-UHFFFAOYSA-N 1 2 347.418 3.317 20 30 EGEDLO C=CCN(C(=O)C[C@H](C)n1cc[nH+]c1)c1nc2c(s1)CCCC2 ZINC000583815471 459600923 /nfs/dbraw/zinc/60/09/23/459600923.db2.gz NQYLCRRFICOOQQ-ZDUSSCGKSA-N 1 2 330.457 3.389 20 30 EGEDLO N#CCOc1ccc(/C=C/C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC000491166762 459601766 /nfs/dbraw/zinc/60/17/66/459601766.db2.gz GXDPRLNLTQDDSZ-JXMROGBWSA-N 1 2 344.374 3.427 20 30 EGEDLO C#CCN(Cc1ccccc1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000491149041 459602107 /nfs/dbraw/zinc/60/21/07/459602107.db2.gz YPJHLJQYKMTLGX-UHFFFAOYSA-N 1 2 329.403 3.207 20 30 EGEDLO C#C[C@H](CCC)NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000491219697 459605527 /nfs/dbraw/zinc/60/55/27/459605527.db2.gz GXBLLASLLDOQKG-NVXWUHKLSA-N 1 2 329.444 3.003 20 30 EGEDLO C=CCn1c(CC)nnc1N1CCc2c([nH+]cn2-c2ccc(C)cc2)C1 ZINC000573021044 459613452 /nfs/dbraw/zinc/61/34/52/459613452.db2.gz IODWOVPBTFJMDE-UHFFFAOYSA-N 1 2 348.454 3.083 20 30 EGEDLO C#CC[N@@H+](Cc1ccc(Cl)c2ccccc12)[C@H]1CCS(=O)(=O)C1 ZINC000491651273 459646853 /nfs/dbraw/zinc/64/68/53/459646853.db2.gz FWQPDWUYACJHQJ-HNNXBMFYSA-N 1 2 347.867 3.116 20 30 EGEDLO C#CC[N@H+](Cc1ccc(Cl)c2ccccc12)[C@H]1CCS(=O)(=O)C1 ZINC000491651273 459646860 /nfs/dbraw/zinc/64/68/60/459646860.db2.gz FWQPDWUYACJHQJ-HNNXBMFYSA-N 1 2 347.867 3.116 20 30 EGEDLO C#CCCN(CC(F)(F)F)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000492600511 459712937 /nfs/dbraw/zinc/71/29/37/459712937.db2.gz ZUDUSWAYHHVITK-RMKNXTFCSA-N 1 2 347.340 3.300 20 30 EGEDLO N#C[C@]1(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC12CCCC2 ZINC000573772511 459731535 /nfs/dbraw/zinc/73/15/35/459731535.db2.gz ORZZOQUSEYTOEY-FQEVSTJZSA-N 1 2 334.423 3.022 20 30 EGEDLO N#Cc1cc(F)ccc1NC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000596784137 459761907 /nfs/dbraw/zinc/76/19/07/459761907.db2.gz PHWLUJVTZTYYTQ-UHFFFAOYSA-N 1 2 339.374 3.014 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC3(CC3(F)F)CC2)c(C#N)c1C ZINC000593072723 459765094 /nfs/dbraw/zinc/76/50/94/459765094.db2.gz LOVBBVXUXHAMAW-NSHDSACASA-N 1 2 337.370 3.216 20 30 EGEDLO N#CC1(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)CCC1 ZINC000564776000 459776331 /nfs/dbraw/zinc/77/63/31/459776331.db2.gz QUSYHBFGJQTXHP-KRWDZBQOSA-N 1 2 339.439 3.108 20 30 EGEDLO N#CC1(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)CCC1 ZINC000564776000 459776333 /nfs/dbraw/zinc/77/63/33/459776333.db2.gz QUSYHBFGJQTXHP-KRWDZBQOSA-N 1 2 339.439 3.108 20 30 EGEDLO N#CC1(CC(=O)Nc2ccccc2C[NH+]2CCOCC2)CCCCC1 ZINC000596863068 459781380 /nfs/dbraw/zinc/78/13/80/459781380.db2.gz IMOHTEWNOVBDMG-UHFFFAOYSA-N 1 2 341.455 3.321 20 30 EGEDLO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1C[C@@H](O)CC1(C#N)CC1 ZINC000528380204 459804334 /nfs/dbraw/zinc/80/43/34/459804334.db2.gz MOKGESCKWCCXMS-JKIFEVAISA-N 1 2 334.847 3.157 20 30 EGEDLO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1C[C@@H](O)CC1(C#N)CC1 ZINC000528380204 459804337 /nfs/dbraw/zinc/80/43/37/459804337.db2.gz MOKGESCKWCCXMS-JKIFEVAISA-N 1 2 334.847 3.157 20 30 EGEDLO N#C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1cccc(Cl)c1Cl ZINC000597181590 459864803 /nfs/dbraw/zinc/86/48/03/459864803.db2.gz BVXRAOPMNUTHSC-HZMBPMFUSA-N 1 2 349.221 3.133 20 30 EGEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000598609696 459962006 /nfs/dbraw/zinc/96/20/06/459962006.db2.gz UQINVUBDOTWDIS-BBRMVZONSA-N 1 2 340.826 3.153 20 30 EGEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000598609696 459962009 /nfs/dbraw/zinc/96/20/09/459962009.db2.gz UQINVUBDOTWDIS-BBRMVZONSA-N 1 2 340.826 3.153 20 30 EGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCC3(C#N)CCC3)n2)C1 ZINC000575776782 460003225 /nfs/dbraw/zinc/00/32/25/460003225.db2.gz XJDWOHWLZPFLBI-ZDUSSCGKSA-N 1 2 347.488 3.190 20 30 EGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC3(C#N)CCC3)n2)C1 ZINC000575776782 460003230 /nfs/dbraw/zinc/00/32/30/460003230.db2.gz XJDWOHWLZPFLBI-ZDUSSCGKSA-N 1 2 347.488 3.190 20 30 EGEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000594035341 460067034 /nfs/dbraw/zinc/06/70/34/460067034.db2.gz GGBQWXLNUDRSDW-YOEHRIQHSA-N 1 2 336.439 3.080 20 30 EGEDLO OCc1ccc(F)c(C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1 ZINC000625210802 460071777 /nfs/dbraw/zinc/07/17/77/460071777.db2.gz XICXEEKPQNUKDG-PHIMTYICSA-N 1 2 345.258 3.491 20 30 EGEDLO OCc1ccc(F)c(C[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1 ZINC000625210802 460071783 /nfs/dbraw/zinc/07/17/83/460071783.db2.gz XICXEEKPQNUKDG-PHIMTYICSA-N 1 2 345.258 3.491 20 30 EGEDLO CCOCc1nc([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)no1 ZINC000589350455 460077287 /nfs/dbraw/zinc/07/72/87/460077287.db2.gz AXTGHZOPHUWZCR-LRDDRELGSA-N 1 2 326.400 3.206 20 30 EGEDLO Cc1cccc2c1ncc(C#N)c2NCc1ccc(N2CCCC2)[nH+]c1 ZINC000610211229 460083217 /nfs/dbraw/zinc/08/32/17/460083217.db2.gz GBFFKVXZZNFWSQ-UHFFFAOYSA-N 1 2 343.434 3.444 20 30 EGEDLO N#Cc1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000610276332 460102495 /nfs/dbraw/zinc/10/24/95/460102495.db2.gz MOXNUGFBLFSUGC-OAHLLOKOSA-N 1 2 348.366 3.053 20 30 EGEDLO COCC[N@H+](CCC#N)Cc1ccc(OCc2ccncc2)cc1 ZINC000610391991 460141301 /nfs/dbraw/zinc/14/13/01/460141301.db2.gz SQZKCCMBGKNFAO-UHFFFAOYSA-N 1 2 325.412 3.023 20 30 EGEDLO COCC[N@@H+](CCC#N)Cc1ccc(OCc2ccncc2)cc1 ZINC000610391991 460141309 /nfs/dbraw/zinc/14/13/09/460141309.db2.gz SQZKCCMBGKNFAO-UHFFFAOYSA-N 1 2 325.412 3.023 20 30 EGEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@H]3c3cccc(F)c3)C2=O)cc1 ZINC000610505439 460168436 /nfs/dbraw/zinc/16/84/36/460168436.db2.gz LMGWKNXFUXHQBH-OALUTQOASA-N 1 2 335.382 3.250 20 30 EGEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@H]3c3cccc(F)c3)C2=O)cc1 ZINC000610505439 460168441 /nfs/dbraw/zinc/16/84/41/460168441.db2.gz LMGWKNXFUXHQBH-OALUTQOASA-N 1 2 335.382 3.250 20 30 EGEDLO CC(C)[C@H](C#N)N1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000610542963 460180305 /nfs/dbraw/zinc/18/03/05/460180305.db2.gz RTORAEAUAUWESP-SFHVURJKSA-N 1 2 349.400 3.223 20 30 EGEDLO CCc1nnc(NCCc2cn3cccc(C)c3[nH+]2)c(C#N)c1CC ZINC000610716204 460223900 /nfs/dbraw/zinc/22/39/00/460223900.db2.gz GRJCTGBALPEEQL-UHFFFAOYSA-N 1 2 334.427 3.084 20 30 EGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000619067987 460261177 /nfs/dbraw/zinc/26/11/77/460261177.db2.gz IXIUQNMBNFJFCO-UHFFFAOYSA-N 1 2 347.422 3.227 20 30 EGEDLO C[C@@H]1C[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](C)C1(F)F ZINC000599512818 460264789 /nfs/dbraw/zinc/26/47/89/460264789.db2.gz NROCPMWYNKCEQL-GHMZBOCLSA-N 1 2 341.789 3.373 20 30 EGEDLO CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000615759738 460387448 /nfs/dbraw/zinc/38/74/48/460387448.db2.gz SYNWMCSBTNWBIF-NVXWUHKLSA-N 1 2 336.439 3.124 20 30 EGEDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000611555117 460397560 /nfs/dbraw/zinc/39/75/60/460397560.db2.gz NFBMPIWHBDOKNS-AAEUAGOBSA-N 1 2 325.334 3.160 20 30 EGEDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000611555117 460397564 /nfs/dbraw/zinc/39/75/64/460397564.db2.gz NFBMPIWHBDOKNS-AAEUAGOBSA-N 1 2 325.334 3.160 20 30 EGEDLO CC[N@H+](CCC(F)(F)F)CC(=O)N(CCC#N)c1ccccc1 ZINC000604525169 460440539 /nfs/dbraw/zinc/44/05/39/460440539.db2.gz FXKHLINRRVFNFI-UHFFFAOYSA-N 1 2 327.350 3.208 20 30 EGEDLO CC[N@@H+](CCC(F)(F)F)CC(=O)N(CCC#N)c1ccccc1 ZINC000604525169 460440545 /nfs/dbraw/zinc/44/05/45/460440545.db2.gz FXKHLINRRVFNFI-UHFFFAOYSA-N 1 2 327.350 3.208 20 30 EGEDLO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)c2nc(C)no2)cc1OC ZINC000628250892 461061843 /nfs/dbraw/zinc/06/18/43/461061843.db2.gz JUVJWCREWPATJG-SNVBAGLBSA-N 1 2 337.807 3.456 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(F)c2ccccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000637962037 461157830 /nfs/dbraw/zinc/15/78/30/461157830.db2.gz GQZGZKMATGVMJO-OAHLLOKOSA-N 1 2 333.428 3.154 20 30 EGEDLO C=CC[N@H+](Cc1ccc(F)c2ccccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000637962037 461157835 /nfs/dbraw/zinc/15/78/35/461157835.db2.gz GQZGZKMATGVMJO-OAHLLOKOSA-N 1 2 333.428 3.154 20 30 EGEDLO C=CCNC(=O)Nc1ccc(N[C@@H](c2[nH+]ccn2C)C2CC2)cc1 ZINC000638209480 461310529 /nfs/dbraw/zinc/31/05/29/461310529.db2.gz AWWLIZSZIDGUJW-MRXNPFEDSA-N 1 2 325.416 3.291 20 30 EGEDLO C=CC[C@H]1CCCN(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)C1 ZINC000666395917 461603872 /nfs/dbraw/zinc/60/38/72/461603872.db2.gz HCXVHXMECBFBPR-INIZCTEOSA-N 1 2 344.459 3.047 20 30 EGEDLO N#Cc1ccc(CC[N@H+]2CCOC[C@H]2CC(=O)c2cccs2)cc1 ZINC000660293519 461693130 /nfs/dbraw/zinc/69/31/30/461693130.db2.gz KPWXWECFEWRPAM-QGZVFWFLSA-N 1 2 340.448 3.136 20 30 EGEDLO N#Cc1ccc(CC[N@@H+]2CCOC[C@H]2CC(=O)c2cccs2)cc1 ZINC000660293519 461693135 /nfs/dbraw/zinc/69/31/35/461693135.db2.gz KPWXWECFEWRPAM-QGZVFWFLSA-N 1 2 340.448 3.136 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc2c(cn1)OCCO2 ZINC000639161331 461773009 /nfs/dbraw/zinc/77/30/09/461773009.db2.gz BLBTYYDXSDVIPJ-UHFFFAOYSA-N 1 2 342.443 3.209 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc2c(cn1)OCCO2 ZINC000639161331 461773013 /nfs/dbraw/zinc/77/30/13/461773013.db2.gz BLBTYYDXSDVIPJ-UHFFFAOYSA-N 1 2 342.443 3.209 20 30 EGEDLO C=CCCn1cc(C[NH2+]Cc2cc(F)ccc2Br)nn1 ZINC000657316170 462041235 /nfs/dbraw/zinc/04/12/35/462041235.db2.gz ABNWFUOTTDPIJO-UHFFFAOYSA-N 1 2 339.212 3.046 20 30 EGEDLO C=CCCn1cc(C[NH2+]Cc2nc3cc(Cl)ccc3s2)nn1 ZINC000657330396 462051246 /nfs/dbraw/zinc/05/12/46/462051246.db2.gz QIRPKPCMQKLLFI-UHFFFAOYSA-N 1 2 333.848 3.407 20 30 EGEDLO C=CCCn1cc(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)nn1 ZINC000657382289 462085653 /nfs/dbraw/zinc/08/56/53/462085653.db2.gz JPPJDXKCSLMNBY-UHFFFAOYSA-N 1 2 342.777 3.399 20 30 EGEDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c(C)n1CC(F)(F)F ZINC000661150888 462125116 /nfs/dbraw/zinc/12/51/16/462125116.db2.gz VINIALJXCLUZRA-CQSZACIVSA-N 1 2 341.377 3.476 20 30 EGEDLO Cc1cc(C(=O)C[N@H+]2CCC[C@H](CC#N)C2)c(C)n1CC(F)(F)F ZINC000661150888 462125123 /nfs/dbraw/zinc/12/51/23/462125123.db2.gz VINIALJXCLUZRA-CQSZACIVSA-N 1 2 341.377 3.476 20 30 EGEDLO C=CC[N@H+](Cc1cn(-c2ccc(F)c(Cl)c2)nn1)[C@H](C)COC ZINC000661240779 462165458 /nfs/dbraw/zinc/16/54/58/462165458.db2.gz RBNWKURPKIQGBN-GFCCVEGCSA-N 1 2 338.814 3.083 20 30 EGEDLO C=CC[N@@H+](Cc1cn(-c2ccc(F)c(Cl)c2)nn1)[C@H](C)COC ZINC000661240779 462165468 /nfs/dbraw/zinc/16/54/68/462165468.db2.gz RBNWKURPKIQGBN-GFCCVEGCSA-N 1 2 338.814 3.083 20 30 EGEDLO C=CC[N@H+](Cc1nn(-c2ccccc2)c2c1CCC2)[C@@H](C)COC ZINC000661243150 462168010 /nfs/dbraw/zinc/16/80/10/462168010.db2.gz YXUGDUHNUCVHJA-INIZCTEOSA-N 1 2 325.456 3.384 20 30 EGEDLO C=CC[N@@H+](Cc1nn(-c2ccccc2)c2c1CCC2)[C@@H](C)COC ZINC000661243150 462168014 /nfs/dbraw/zinc/16/80/14/462168014.db2.gz YXUGDUHNUCVHJA-INIZCTEOSA-N 1 2 325.456 3.384 20 30 EGEDLO C=C[C@H](CO)[NH2+][C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000662167078 462533565 /nfs/dbraw/zinc/53/35/65/462533565.db2.gz RJTHNFMZJAXYEK-PSASIEDQSA-N 1 2 328.199 3.241 20 30 EGEDLO CCc1[nH+]c2ccccc2n1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000012506057 522503883 /nfs/dbraw/zinc/50/38/83/522503883.db2.gz OWPJYYILIFFXFN-INIZCTEOSA-N 1 2 335.407 3.105 20 30 EGEDLO C=CCOCCCC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000173748461 526746705 /nfs/dbraw/zinc/74/67/05/526746705.db2.gz LOYRAMKBGYZNLZ-UHFFFAOYSA-N 1 2 337.489 3.296 20 30 EGEDLO COc1ccc(F)c(N2CC[NH+](Cc3ccccc3C#N)CC2)c1 ZINC000361731750 536600416 /nfs/dbraw/zinc/60/04/16/536600416.db2.gz HPWOSUIPYNMWCJ-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCC(C#N)CC4)nc(N)c23)C1 ZINC000180455218 547056633 /nfs/dbraw/zinc/05/66/33/547056633.db2.gz JUYHOUYUCJXLBT-LLVKDONJSA-N 1 2 341.484 3.134 20 30 EGEDLO CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000329466571 547498313 /nfs/dbraw/zinc/49/83/13/547498313.db2.gz SBUXRQLWAPZPAD-RHSMWYFYSA-N 1 2 344.459 3.179 20 30 EGEDLO C=CCCOCC(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000684499103 550336634 /nfs/dbraw/zinc/33/66/34/550336634.db2.gz AUABEYTXARWLPZ-UHFFFAOYSA-N 1 2 327.428 3.101 20 30 EGEDLO C=CCCC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000726526240 574561555 /nfs/dbraw/zinc/56/15/55/574561555.db2.gz RCMZJKXKQTVHDV-UHFFFAOYSA-N 1 2 342.361 3.196 20 30 EGEDLO CC(C)c1ccccc1NC(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000727486577 574670445 /nfs/dbraw/zinc/67/04/45/574670445.db2.gz MVSBZCMWDAWFDT-UHFFFAOYSA-N 1 2 329.375 3.225 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000730284765 574966066 /nfs/dbraw/zinc/96/60/66/574966066.db2.gz CNEFSEDSZZTTHJ-FQEVSTJZSA-N 1 2 345.402 3.387 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000730284765 574966067 /nfs/dbraw/zinc/96/60/67/574966067.db2.gz CNEFSEDSZZTTHJ-FQEVSTJZSA-N 1 2 345.402 3.387 20 30 EGEDLO C#CCOc1ccccc1OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000730509984 574995637 /nfs/dbraw/zinc/99/56/37/574995637.db2.gz SHRLSYSJHIDABA-UHFFFAOYSA-N 1 2 332.359 3.163 20 30 EGEDLO C=CC[C@@H](NC(=O)Cn1c(CC)[nH+]c2ccccc21)c1ccncc1 ZINC000734460884 575495015 /nfs/dbraw/zinc/49/50/15/575495015.db2.gz RZFBGOYGVLCYNS-MRXNPFEDSA-N 1 2 334.423 3.427 20 30 EGEDLO CCCCCCCn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000735233340 575620541 /nfs/dbraw/zinc/62/05/41/575620541.db2.gz RYCLLDQGMSXPHM-SFHVURJKSA-N 1 2 343.475 3.217 20 30 EGEDLO CCCCCCCn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000735233340 575620544 /nfs/dbraw/zinc/62/05/44/575620544.db2.gz RYCLLDQGMSXPHM-SFHVURJKSA-N 1 2 343.475 3.217 20 30 EGEDLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](CCC#N)CC(C)C ZINC000739915243 576518709 /nfs/dbraw/zinc/51/87/09/576518709.db2.gz XOBYGFBSCQJMCO-INIZCTEOSA-N 1 2 333.501 3.456 20 30 EGEDLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+](CCC#N)CC(C)C ZINC000739915243 576518711 /nfs/dbraw/zinc/51/87/11/576518711.db2.gz XOBYGFBSCQJMCO-INIZCTEOSA-N 1 2 333.501 3.456 20 30 EGEDLO C[NH+](C)c1ccc(N2CCC(N=Nc3cncc(Cl)n3)CC2)cc1 ZINC000741459035 576688094 /nfs/dbraw/zinc/68/80/94/576688094.db2.gz STCMMSKYTGVGGK-UHFFFAOYSA-N 1 2 344.850 3.264 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H](Oc2ccccc2OC)C1 ZINC000796563800 1310035245 /nfs/dbraw/zinc/03/52/45/1310035245.db2.gz KFFHEFWGTPQMJM-CYBMUJFWSA-N 1 2 326.234 3.447 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H](Oc2ccccc2OC)C1 ZINC000796563800 1310035251 /nfs/dbraw/zinc/03/52/51/1310035251.db2.gz KFFHEFWGTPQMJM-CYBMUJFWSA-N 1 2 326.234 3.447 20 30 EGEDLO O=[N+]([O-])c1ccc(O)c(/C=N/CCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000075533013 1292396693 /nfs/dbraw/zinc/39/66/93/1292396693.db2.gz WQNGHBGQBQVZDV-DEDYPNTBSA-N 1 2 339.395 3.168 20 30 EGEDLO O=[N+]([O-])c1ccc(O)c(/C=N/CCC[N@H+]2CCc3ccccc3C2)c1 ZINC000075533013 1292396704 /nfs/dbraw/zinc/39/67/04/1292396704.db2.gz WQNGHBGQBQVZDV-DEDYPNTBSA-N 1 2 339.395 3.168 20 30 EGEDLO C#CCOc1ccccc1C[N@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000077207679 1292456226 /nfs/dbraw/zinc/45/62/26/1292456226.db2.gz OKMWCUJXYAOUCD-UHFFFAOYSA-N 1 2 336.435 3.386 20 30 EGEDLO C#CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000077207679 1292456232 /nfs/dbraw/zinc/45/62/32/1292456232.db2.gz OKMWCUJXYAOUCD-UHFFFAOYSA-N 1 2 336.435 3.386 20 30 EGEDLO N#CCOc1ccc(CC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC000110676598 1293099694 /nfs/dbraw/zinc/09/96/94/1293099694.db2.gz ZQJZJVAYFATNCO-UHFFFAOYSA-N 1 2 332.363 3.160 20 30 EGEDLO Cc1ccc(N[NH+]=Cc2cnc(N3CCOCC3)s2)c(Cl)c1 ZINC000835012721 1293187537 /nfs/dbraw/zinc/18/75/37/1293187537.db2.gz ZJDBZLOWTKVKNM-UHFFFAOYSA-N 1 2 336.848 3.388 20 30 EGEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@@H](c3ccccc3OC)C2)c1=S ZINC000153502522 1294016867 /nfs/dbraw/zinc/01/68/67/1294016867.db2.gz UREFVRVNZYSGOX-OAHLLOKOSA-N 1 2 344.484 3.364 20 30 EGEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@@H](c3ccccc3OC)C2)c1=S ZINC000153502522 1294016870 /nfs/dbraw/zinc/01/68/70/1294016870.db2.gz UREFVRVNZYSGOX-OAHLLOKOSA-N 1 2 344.484 3.364 20 30 EGEDLO COc1ccc(C(N)=[NH+]O[C@H](C)c2nc(-c3ccccc3)no2)cc1 ZINC000157096559 1294169376 /nfs/dbraw/zinc/16/93/76/1294169376.db2.gz QWOUBJIUYRQOKG-GFCCVEGCSA-N 1 2 338.367 3.143 20 30 EGEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccc(N2CCOC2=O)cc1 ZINC000255173803 1296507194 /nfs/dbraw/zinc/50/71/94/1296507194.db2.gz OSLUGPMJHDJJHN-HJWRWDBZSA-N 1 2 333.347 3.187 20 30 EGEDLO C=CCC[NH2+]c1ccc(N2CC[C@@H](CO)C2)c(Br)c1 ZINC000871851433 1296568995 /nfs/dbraw/zinc/56/89/95/1296568995.db2.gz MBXCVZGPZDMECO-GFCCVEGCSA-N 1 2 325.250 3.256 20 30 EGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCOC[C@@H](C)C1 ZINC000328673137 1297257911 /nfs/dbraw/zinc/25/79/11/1297257911.db2.gz ITIUEMYRNSPYJT-RYUDHWBXSA-N 1 2 333.457 3.053 20 30 EGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCOC[C@@H](C)C1 ZINC000328673137 1297257918 /nfs/dbraw/zinc/25/79/18/1297257918.db2.gz ITIUEMYRNSPYJT-RYUDHWBXSA-N 1 2 333.457 3.053 20 30 EGEDLO N#Cc1ncc(C(F)(F)F)cc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000413194370 1297774648 /nfs/dbraw/zinc/77/46/48/1297774648.db2.gz BAMBVNBIFXGFBC-LBPRGKRZSA-N 1 2 333.317 3.058 20 30 EGEDLO C#CCN(C(=O)NCCc1cn2cccc(C)c2[nH+]1)C1CCCCC1 ZINC000746776156 1298659059 /nfs/dbraw/zinc/65/90/59/1298659059.db2.gz PKQIVKWAOVQSCU-UHFFFAOYSA-N 1 2 338.455 3.163 20 30 EGEDLO Cc1cc(C(N)=[NH+]OCc2ccc(C#N)cc2OC(F)F)ccc1F ZINC000753119045 1299875956 /nfs/dbraw/zinc/87/59/56/1299875956.db2.gz XSENDQKKZOOFEA-UHFFFAOYSA-N 1 2 349.312 3.444 20 30 EGEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(F)cc(C#N)c1 ZINC000880334623 1301069602 /nfs/dbraw/zinc/06/96/02/1301069602.db2.gz QEKHBEPTHIGQJB-HNNXBMFYSA-N 1 2 329.379 3.130 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](C)C2CCCC2)c1=S ZINC000764866818 1302153718 /nfs/dbraw/zinc/15/37/18/1302153718.db2.gz WICMXPWOWRZJFY-UHFFFAOYSA-N 1 2 329.473 3.494 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](C)C2CCCC2)c1=S ZINC000764866818 1302153725 /nfs/dbraw/zinc/15/37/25/1302153725.db2.gz WICMXPWOWRZJFY-UHFFFAOYSA-N 1 2 329.473 3.494 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[NH+]2C[C@@H](C)[C@H](C)C2)c1=S ZINC000765048301 1302190172 /nfs/dbraw/zinc/19/01/72/1302190172.db2.gz GOQAJVNPUFOASG-ZIAGYGMSSA-N 1 2 329.473 3.207 20 30 EGEDLO CC(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1cc(Cl)c(Cl)cc1O ZINC000766028856 1302372670 /nfs/dbraw/zinc/37/26/70/1302372670.db2.gz IEAVCEJYBWLWSM-STQMWFEESA-N 1 2 341.242 3.283 20 30 EGEDLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1ccc(OCC#N)cc1 ZINC000766406778 1302445746 /nfs/dbraw/zinc/44/57/46/1302445746.db2.gz XZGGARIPYQNUGC-UHFFFAOYSA-N 1 2 336.399 3.096 20 30 EGEDLO C[N@@H+](Cc1ccc(F)c(Cl)c1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766632508 1302492407 /nfs/dbraw/zinc/49/24/07/1302492407.db2.gz AYMOQTWLNHZGBU-UHFFFAOYSA-N 1 2 345.805 3.091 20 30 EGEDLO C[N@H+](Cc1ccc(F)c(Cl)c1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766632508 1302492414 /nfs/dbraw/zinc/49/24/14/1302492414.db2.gz AYMOQTWLNHZGBU-UHFFFAOYSA-N 1 2 345.805 3.091 20 30 EGEDLO C#CCCOc1ccc(C[NH+]2CCN([C@@H](C)C(F)(F)F)CC2)cc1 ZINC000769556163 1303140586 /nfs/dbraw/zinc/14/05/86/1303140586.db2.gz YNIBULWCSGWBDJ-HNNXBMFYSA-N 1 2 340.389 3.157 20 30 EGEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 ZINC000769975414 1303200764 /nfs/dbraw/zinc/20/07/64/1303200764.db2.gz FZKDBDSULPDDKN-VQIMIIECSA-N 1 2 349.434 3.219 20 30 EGEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 ZINC000769975414 1303200768 /nfs/dbraw/zinc/20/07/68/1303200768.db2.gz FZKDBDSULPDDKN-VQIMIIECSA-N 1 2 349.434 3.219 20 30 EGEDLO N#Cc1cccc(OCCCCC(=O)OCc2cccc3[nH+]ccn32)c1 ZINC000770926803 1303333698 /nfs/dbraw/zinc/33/36/98/1303333698.db2.gz SSVGXVQYPPJRMU-UHFFFAOYSA-N 1 2 349.390 3.498 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1 ZINC000771739661 1303438445 /nfs/dbraw/zinc/43/84/45/1303438445.db2.gz HVQUXEREFUYEPE-FQEVSTJZSA-N 1 2 344.418 3.062 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1 ZINC000771739661 1303438450 /nfs/dbraw/zinc/43/84/50/1303438450.db2.gz HVQUXEREFUYEPE-FQEVSTJZSA-N 1 2 344.418 3.062 20 30 EGEDLO N#CC1(CS(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)CCCCC1 ZINC000772697347 1303564983 /nfs/dbraw/zinc/56/49/83/1303564983.db2.gz ZUWPGNGGTHEIPD-UHFFFAOYSA-N 1 2 345.424 3.055 20 30 EGEDLO N#CCc1ccc(COC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000776214855 1304114264 /nfs/dbraw/zinc/11/42/64/1304114264.db2.gz SXKFRHSYAWIIKM-UHFFFAOYSA-N 1 2 331.375 3.354 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000779165775 1304538092 /nfs/dbraw/zinc/53/80/92/1304538092.db2.gz GWNJWIQGPWGXHH-UHFFFAOYSA-N 1 2 347.764 3.241 20 30 EGEDLO N#Cc1ccccc1/C=C\C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000783487548 1305097694 /nfs/dbraw/zinc/09/76/94/1305097694.db2.gz UBVUOLCNTXVELH-FPLPWBNLSA-N 1 2 348.450 3.487 20 30 EGEDLO COCCN(C)c1ccc(C=[NH+]Nc2nc3ccccc3cc2C)cn1 ZINC000790170038 1306271150 /nfs/dbraw/zinc/27/11/50/1306271150.db2.gz FTYAVHVXPZTKQU-UHFFFAOYSA-N 1 2 349.438 3.467 20 30 EGEDLO COCCN(C)c1ccc(C=[NH+]Nc2cc(F)c(F)cc2F)cn1 ZINC000790164746 1306271703 /nfs/dbraw/zinc/27/17/03/1306271703.db2.gz YCZVDPDAPRFSCQ-UHFFFAOYSA-N 1 2 338.333 3.028 20 30 EGEDLO COc1cc([N+](=O)[O-])ccc1N=NC(C)C[NH+]1Cc2ccccc2C1 ZINC000792636459 1309201149 /nfs/dbraw/zinc/20/11/49/1309201149.db2.gz XXNDMGDBHKLTQN-UHFFFAOYSA-N 1 2 340.383 3.407 20 30 EGEDLO Cc1cc(N2CCC(Nc3cccc[nH+]3)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000895351314 1309293901 /nfs/dbraw/zinc/29/39/01/1309293901.db2.gz WKHDZVYJMIGHMZ-UHFFFAOYSA-N 1 2 337.383 3.251 20 30 EGEDLO C[C@@H]1C[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)[C@@H]1c1ccccc1 ZINC000793506642 1309386788 /nfs/dbraw/zinc/38/67/88/1309386788.db2.gz XAJIJTABZOQYDN-QRWLVFNGSA-N 1 2 333.435 3.249 20 30 EGEDLO C[C@@H]1C[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)[C@@H]1c1ccccc1 ZINC000793506642 1309386800 /nfs/dbraw/zinc/38/68/00/1309386800.db2.gz XAJIJTABZOQYDN-QRWLVFNGSA-N 1 2 333.435 3.249 20 30 EGEDLO Cc1ccc(C[N@@H+](Cn2nc(CC#N)n(C)c2=S)C(C)C)s1 ZINC000794623578 1309558618 /nfs/dbraw/zinc/55/86/18/1309558618.db2.gz NHWMBIFZPZGCSX-UHFFFAOYSA-N 1 2 335.502 3.255 20 30 EGEDLO Cc1ccc(C[N@H+](Cn2nc(CC#N)n(C)c2=S)C(C)C)s1 ZINC000794623578 1309558628 /nfs/dbraw/zinc/55/86/28/1309558628.db2.gz NHWMBIFZPZGCSX-UHFFFAOYSA-N 1 2 335.502 3.255 20 30 EGEDLO Cc1c(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)cnn1C(C)(C)C ZINC000794714610 1309581974 /nfs/dbraw/zinc/58/19/74/1309581974.db2.gz RUYQUQSTMVVXMR-FPLPWBNLSA-N 1 2 332.473 3.361 20 30 EGEDLO COc1cc2c(cc1OC)C(=O)/C(=C/c1c[nH+]c3c(C)cccn13)C2 ZINC000794960722 1309633633 /nfs/dbraw/zinc/63/36/33/1309633633.db2.gz GTFJIJBFIRMJLA-RIYZIHGNSA-N 1 2 334.375 3.482 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Oc1ccc(C#N)cc1F ZINC000796829741 1310095969 /nfs/dbraw/zinc/09/59/69/1310095969.db2.gz YSIYKJZGJNXXFV-UHFFFAOYSA-N 1 2 345.280 3.239 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]C/C=C\c2ccc(F)cc2)[C@@H](C#N)C1 ZINC000798274633 1310332822 /nfs/dbraw/zinc/33/28/22/1310332822.db2.gz HUKMBVSJEJUOBB-PFOQBSPMSA-N 1 2 345.418 3.188 20 30 EGEDLO Cc1cccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1C ZINC000798274970 1310333270 /nfs/dbraw/zinc/33/32/70/1310333270.db2.gz LTJFFYZJVPLDRC-DLBZAZTESA-N 1 2 329.444 3.152 20 30 EGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000897979781 1310537909 /nfs/dbraw/zinc/53/79/09/1310537909.db2.gz KGCWVSJCYODUFD-VQIMIIECSA-N 1 2 338.455 3.094 20 30 EGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897979781 1310537916 /nfs/dbraw/zinc/53/79/16/1310537916.db2.gz KGCWVSJCYODUFD-VQIMIIECSA-N 1 2 338.455 3.094 20 30 EGEDLO C#CCCCCC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000799424604 1310547054 /nfs/dbraw/zinc/54/70/54/1310547054.db2.gz ALKQPPCQDVDKNB-SFHVURJKSA-N 1 2 342.483 3.312 20 30 EGEDLO C#CCCCCC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000799424604 1310547058 /nfs/dbraw/zinc/54/70/58/1310547058.db2.gz ALKQPPCQDVDKNB-SFHVURJKSA-N 1 2 342.483 3.312 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(OCC(C)C)cc2)C1 ZINC000957358450 1317307500 /nfs/dbraw/zinc/30/75/00/1317307500.db2.gz SDFGEBSOCVXPPL-UHFFFAOYSA-N 1 2 330.472 3.444 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(=O)n2cc(C)sc2n1 ZINC000929777273 1328697414 /nfs/dbraw/zinc/69/74/14/1328697414.db2.gz AWJFANPUNPFGES-UHFFFAOYSA-N 1 2 332.473 3.216 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(=O)n2cc(C)sc2n1 ZINC000929777273 1328697416 /nfs/dbraw/zinc/69/74/16/1328697416.db2.gz AWJFANPUNPFGES-UHFFFAOYSA-N 1 2 332.473 3.216 20 30 EGEDLO Cc1nc(C[NH+]2CCC(C(=O)O[C@H](C)C(C)(C)C#N)CC2)cs1 ZINC000805901311 1317436662 /nfs/dbraw/zinc/43/66/62/1317436662.db2.gz GJJJMJVNESMOKP-GFCCVEGCSA-N 1 2 335.473 3.145 20 30 EGEDLO N#Cc1ccc(-c2cccc(CNC(=O)CCc3[nH]cc[nH+]3)c2)s1 ZINC000806904267 1317535606 /nfs/dbraw/zinc/53/56/06/1317535606.db2.gz YFBSUVZETSZEEQ-UHFFFAOYSA-N 1 2 336.420 3.259 20 30 EGEDLO C=C[C@H](C(=O)N1CC[NH+](Cc2ccc(C)nc2C)CC1)c1ccccc1 ZINC000957743975 1317608008 /nfs/dbraw/zinc/60/80/08/1317608008.db2.gz FSVLANSRQNASJG-NRFANRHFSA-N 1 2 349.478 3.312 20 30 EGEDLO N#Cc1cc(Br)ccc1CO[NH+]=C(N)c1ccc(F)cc1 ZINC000808247310 1317650676 /nfs/dbraw/zinc/65/06/76/1317650676.db2.gz YDYBENRBRPGYEM-UHFFFAOYSA-N 1 2 348.175 3.297 20 30 EGEDLO Cc1ccc(N2CCC(C(=O)N(O)Cc3ccc(F)cc3)CC2)[nH+]c1 ZINC000904174532 1317803509 /nfs/dbraw/zinc/80/35/09/1317803509.db2.gz DMYKWJRKFZWQFG-UHFFFAOYSA-N 1 2 343.402 3.164 20 30 EGEDLO Cc1cccn2cc(Cc3noc(-c4ccccc4OCC#N)n3)[nH+]c12 ZINC000809367070 1317805006 /nfs/dbraw/zinc/80/50/06/1317805006.db2.gz FUKMHSJLUAKDIC-UHFFFAOYSA-N 1 2 345.362 3.186 20 30 EGEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)CCCc3ccccc3)CC2)cc1 ZINC000809559526 1317831720 /nfs/dbraw/zinc/83/17/20/1317831720.db2.gz SLHKCBJRLMEGRR-UHFFFAOYSA-N 1 2 346.474 3.335 20 30 EGEDLO Cc1noc([C@@H]2CCCC[N@H+]2Cc2ccc(O[C@H](C)C#N)cc2)n1 ZINC000809718638 1317875062 /nfs/dbraw/zinc/87/50/62/1317875062.db2.gz MFSMCTFWDLWTJN-DYVFJYSZSA-N 1 2 326.400 3.396 20 30 EGEDLO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2ccc(O[C@H](C)C#N)cc2)n1 ZINC000809718638 1317875067 /nfs/dbraw/zinc/87/50/67/1317875067.db2.gz MFSMCTFWDLWTJN-DYVFJYSZSA-N 1 2 326.400 3.396 20 30 EGEDLO C#C[C@H](Cc1ccccc1)OC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000810637515 1318036375 /nfs/dbraw/zinc/03/63/75/1318036375.db2.gz FMKCAIYGTAEPSI-OAQYLSRUSA-N 1 2 344.414 3.262 20 30 EGEDLO N#Cc1cccc(C(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)n1 ZINC000810873531 1318071981 /nfs/dbraw/zinc/07/19/81/1318071981.db2.gz QXVSACQLBARDSB-UHFFFAOYSA-N 1 2 344.374 3.372 20 30 EGEDLO CC[C@@H](C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000960449108 1318570859 /nfs/dbraw/zinc/57/08/59/1318570859.db2.gz ITYPJPCSICZXOR-KDOFPFPSSA-N 1 2 331.435 3.166 20 30 EGEDLO CC[C@@H](C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000960449108 1318570863 /nfs/dbraw/zinc/57/08/63/1318570863.db2.gz ITYPJPCSICZXOR-KDOFPFPSSA-N 1 2 331.435 3.166 20 30 EGEDLO CC[C@@H](C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000960449110 1318571561 /nfs/dbraw/zinc/57/15/61/1318571561.db2.gz ITYPJPCSICZXOR-RDTXWAMCSA-N 1 2 331.435 3.166 20 30 EGEDLO CC[C@@H](C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000960449110 1318571571 /nfs/dbraw/zinc/57/15/71/1318571571.db2.gz ITYPJPCSICZXOR-RDTXWAMCSA-N 1 2 331.435 3.166 20 30 EGEDLO C#C[C@H](NC(=O)CSCc1cn2cc(C)ccc2[nH+]1)C(C)(C)C ZINC000813776952 1318630270 /nfs/dbraw/zinc/63/02/70/1318630270.db2.gz FTEIBFGBDBZWKV-HNNXBMFYSA-N 1 2 329.469 3.040 20 30 EGEDLO Fc1ccc(N[NH+]=Cc2ccccc2N2CCOCC2)c(F)c1F ZINC000814946035 1318856973 /nfs/dbraw/zinc/85/69/73/1318856973.db2.gz CJYSKBZTRBWKMT-UHFFFAOYSA-N 1 2 335.329 3.387 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1csc(CC)n1 ZINC000960787173 1318890252 /nfs/dbraw/zinc/89/02/52/1318890252.db2.gz HSNWAROSWNWVMY-OAHLLOKOSA-N 1 2 335.517 3.341 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1csc(CC)n1 ZINC000960787173 1318890260 /nfs/dbraw/zinc/89/02/60/1318890260.db2.gz HSNWAROSWNWVMY-OAHLLOKOSA-N 1 2 335.517 3.341 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)[C@@H](C)c1nc(C2CC2)no1 ZINC000960790838 1318894980 /nfs/dbraw/zinc/89/49/80/1318894980.db2.gz NUERHAGDYSLGGD-ZFWWWQNUSA-N 1 2 346.475 3.143 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)[C@@H](C)c1nc(C2CC2)no1 ZINC000960790838 1318894992 /nfs/dbraw/zinc/89/49/92/1318894992.db2.gz NUERHAGDYSLGGD-ZFWWWQNUSA-N 1 2 346.475 3.143 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)[C@@H](C)c2nnc(C)o2)CC1 ZINC000960832755 1318963434 /nfs/dbraw/zinc/96/34/34/1318963434.db2.gz OVPYBGKRBKWELL-WMLDXEAASA-N 1 2 346.475 3.108 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)[C@@H](C)c2nnc(C)o2)CC1 ZINC000960832755 1318963440 /nfs/dbraw/zinc/96/34/40/1318963440.db2.gz OVPYBGKRBKWELL-WMLDXEAASA-N 1 2 346.475 3.108 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nc(C)cs1 ZINC000960836387 1318967283 /nfs/dbraw/zinc/96/72/83/1318967283.db2.gz FZVYAEVKFAMDLW-QAPCUYQASA-N 1 2 335.517 3.477 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nc(C)cs1 ZINC000960836387 1318967292 /nfs/dbraw/zinc/96/72/92/1318967292.db2.gz FZVYAEVKFAMDLW-QAPCUYQASA-N 1 2 335.517 3.477 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1nc(C)cs1 ZINC000960836391 1318967851 /nfs/dbraw/zinc/96/78/51/1318967851.db2.gz FZVYAEVKFAMDLW-YJBOKZPZSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nc(C)cs1 ZINC000960836391 1318967855 /nfs/dbraw/zinc/96/78/55/1318967855.db2.gz FZVYAEVKFAMDLW-YJBOKZPZSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2ncc(C)o2)CC1 ZINC000960838848 1318973270 /nfs/dbraw/zinc/97/32/70/1318973270.db2.gz MUWJSBADCPTONZ-QGZVFWFLSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2ncc(C)o2)CC1 ZINC000960838848 1318973276 /nfs/dbraw/zinc/97/32/76/1318973276.db2.gz MUWJSBADCPTONZ-QGZVFWFLSA-N 1 2 331.460 3.152 20 30 EGEDLO N#Cc1cc(F)ccc1NC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000930286538 1328827137 /nfs/dbraw/zinc/82/71/37/1328827137.db2.gz NIEBZWACYMKOON-UHFFFAOYSA-N 1 2 339.374 3.201 20 30 EGEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(SC(C)(C)C)c(F)c1 ZINC000819490177 1319747079 /nfs/dbraw/zinc/74/70/79/1319747079.db2.gz VDJUJZGSDBTKIG-CQSZACIVSA-N 1 2 339.480 3.335 20 30 EGEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(SC(C)(C)C)c(F)c1 ZINC000819490177 1319747084 /nfs/dbraw/zinc/74/70/84/1319747084.db2.gz VDJUJZGSDBTKIG-CQSZACIVSA-N 1 2 339.480 3.335 20 30 EGEDLO C#C[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(Cl)cc1 ZINC000820573639 1319914155 /nfs/dbraw/zinc/91/41/55/1319914155.db2.gz YMDIYGDSJTYHMG-KRWDZBQOSA-N 1 2 342.830 3.258 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(C(=O)N(C)C)cc1 ZINC000820617895 1319923369 /nfs/dbraw/zinc/92/33/69/1319923369.db2.gz WPQOFTQIBJYTCJ-UHFFFAOYSA-N 1 2 337.423 3.188 20 30 EGEDLO CC(C)C#CC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000821850506 1320036038 /nfs/dbraw/zinc/03/60/38/1320036038.db2.gz TUEJECWNODZLAO-INIZCTEOSA-N 1 2 336.838 3.392 20 30 EGEDLO COC(=O)C1(C#N)CC[NH+](CCCc2c(F)cccc2Cl)CC1 ZINC000824872059 1320293252 /nfs/dbraw/zinc/29/32/52/1320293252.db2.gz OEKHEUISRWPCTN-UHFFFAOYSA-N 1 2 338.810 3.190 20 30 EGEDLO C#CCCOC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000858900062 1328886134 /nfs/dbraw/zinc/88/61/34/1328886134.db2.gz JCYHGNKRANSCBW-OAHLLOKOSA-N 1 2 338.810 3.366 20 30 EGEDLO N#Cc1ccc(C2=CC[N@H+](CN3C(=O)[C@H](C4CC4)[C@H]3C3CC3)CC2)cc1 ZINC000840036336 1321018061 /nfs/dbraw/zinc/01/80/61/1321018061.db2.gz GIXIBIJHADHUFW-NHCUHLMSSA-N 1 2 347.462 3.252 20 30 EGEDLO N#Cc1ccc(C2=CC[N@@H+](CN3C(=O)[C@H](C4CC4)[C@H]3C3CC3)CC2)cc1 ZINC000840036336 1321018066 /nfs/dbraw/zinc/01/80/66/1321018066.db2.gz GIXIBIJHADHUFW-NHCUHLMSSA-N 1 2 347.462 3.252 20 30 EGEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000847381616 1321868083 /nfs/dbraw/zinc/86/80/83/1321868083.db2.gz BGCBWGQYGMXISS-QAPCUYQASA-N 1 2 338.455 3.164 20 30 EGEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccn3c(C)c[nH+]c3c2)c1 ZINC000847495298 1321875132 /nfs/dbraw/zinc/87/51/32/1321875132.db2.gz AXZZNBHXJOQSIG-KRWDZBQOSA-N 1 2 348.406 3.254 20 30 EGEDLO C[C@@H](NC(=O)N1CCC(Nc2cccc[nH+]2)CC1)c1cccc(C#N)c1 ZINC000920997103 1322242476 /nfs/dbraw/zinc/24/24/76/1322242476.db2.gz WKTJMHKWJBHSJW-OAHLLOKOSA-N 1 2 349.438 3.300 20 30 EGEDLO C#C[C@@H](NC(=O)N1CCC(Nc2cccc[nH+]2)CC1)c1ccccc1 ZINC000923221837 1322713947 /nfs/dbraw/zinc/71/39/47/1322713947.db2.gz YPAYMAIYQVLDRS-GOSISDBHSA-N 1 2 334.423 3.042 20 30 EGEDLO O=C(NC[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl)C1CC1 ZINC001024293270 1323269334 /nfs/dbraw/zinc/26/93/34/1323269334.db2.gz RZLUZHPXVAZZTJ-KRWDZBQOSA-N 1 2 330.859 3.072 20 30 EGEDLO O=C(NC[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1Cl)C1CC1 ZINC001024293270 1323269342 /nfs/dbraw/zinc/26/93/42/1323269342.db2.gz RZLUZHPXVAZZTJ-KRWDZBQOSA-N 1 2 330.859 3.072 20 30 EGEDLO Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC#Cc2ccccc2)o1 ZINC001024319018 1323302668 /nfs/dbraw/zinc/30/26/68/1323302668.db2.gz QLCXZVFCQQZLIW-IBGZPJMESA-N 1 2 336.435 3.224 20 30 EGEDLO Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CC#Cc2ccccc2)o1 ZINC001024319018 1323302674 /nfs/dbraw/zinc/30/26/74/1323302674.db2.gz QLCXZVFCQQZLIW-IBGZPJMESA-N 1 2 336.435 3.224 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc2c1CCOC2 ZINC001024548659 1323489262 /nfs/dbraw/zinc/48/92/62/1323489262.db2.gz CJDSYKMRTJHZKT-MRXNPFEDSA-N 1 2 348.874 3.096 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc2c1CCOC2 ZINC001024548659 1323489266 /nfs/dbraw/zinc/48/92/66/1323489266.db2.gz CJDSYKMRTJHZKT-MRXNPFEDSA-N 1 2 348.874 3.096 20 30 EGEDLO Cc1coc(C(=O)NC[C@H]2CCCC[N@@H+]2CC#Cc2ccccc2)c1 ZINC001024612371 1323538929 /nfs/dbraw/zinc/53/89/29/1323538929.db2.gz OBIUABDEIYYHKL-LJQANCHMSA-N 1 2 336.435 3.224 20 30 EGEDLO Cc1coc(C(=O)NC[C@H]2CCCC[N@H+]2CC#Cc2ccccc2)c1 ZINC001024612371 1323538932 /nfs/dbraw/zinc/53/89/32/1323538932.db2.gz OBIUABDEIYYHKL-LJQANCHMSA-N 1 2 336.435 3.224 20 30 EGEDLO Cc1coc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC#Cc2ccccc2)c1 ZINC001024612370 1323538981 /nfs/dbraw/zinc/53/89/81/1323538981.db2.gz OBIUABDEIYYHKL-IBGZPJMESA-N 1 2 336.435 3.224 20 30 EGEDLO Cc1coc(C(=O)NC[C@@H]2CCCC[N@H+]2CC#Cc2ccccc2)c1 ZINC001024612370 1323538984 /nfs/dbraw/zinc/53/89/84/1323538984.db2.gz OBIUABDEIYYHKL-IBGZPJMESA-N 1 2 336.435 3.224 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCOc2ccccc21 ZINC001024712404 1323619766 /nfs/dbraw/zinc/61/97/66/1323619766.db2.gz WXMKQPQXNZMUMA-RDJZCZTQSA-N 1 2 348.874 3.276 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCOc2ccccc21 ZINC001024712404 1323619770 /nfs/dbraw/zinc/61/97/70/1323619770.db2.gz WXMKQPQXNZMUMA-RDJZCZTQSA-N 1 2 348.874 3.276 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1Cc2c(cccc2C)O1 ZINC001024764958 1323663679 /nfs/dbraw/zinc/66/36/79/1323663679.db2.gz YCEFPFPJMYTKFK-CRAIPNDOSA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1Cc2c(cccc2C)O1 ZINC001024764958 1323663690 /nfs/dbraw/zinc/66/36/90/1323663690.db2.gz YCEFPFPJMYTKFK-CRAIPNDOSA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1c(F)cccc1F ZINC001024778151 1323680200 /nfs/dbraw/zinc/68/02/00/1323680200.db2.gz UWKYDAXDIXRJRV-LBPRGKRZSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1c(F)cccc1F ZINC001024778151 1323680208 /nfs/dbraw/zinc/68/02/08/1323680208.db2.gz UWKYDAXDIXRJRV-LBPRGKRZSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]nc1-c1ccco1 ZINC001024808192 1323710690 /nfs/dbraw/zinc/71/06/90/1323710690.db2.gz FLPVYZAGBGGUON-CYBMUJFWSA-N 1 2 348.834 3.007 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]nc1-c1ccco1 ZINC001024808192 1323710696 /nfs/dbraw/zinc/71/06/96/1323710696.db2.gz FLPVYZAGBGGUON-CYBMUJFWSA-N 1 2 348.834 3.007 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1nncs1 ZINC001025260040 1324070998 /nfs/dbraw/zinc/07/09/98/1324070998.db2.gz VBMZAZHGCXAGES-GJZGRUSLSA-N 1 2 348.516 3.096 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+]1Cc1nncs1 ZINC001025260040 1324071002 /nfs/dbraw/zinc/07/10/02/1324071002.db2.gz VBMZAZHGCXAGES-GJZGRUSLSA-N 1 2 348.516 3.096 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000853637920 1325138460 /nfs/dbraw/zinc/13/84/60/1325138460.db2.gz VQDNXCZEQVZUNM-WIYYLYMNSA-N 1 2 336.435 3.452 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC001027293798 1325428042 /nfs/dbraw/zinc/42/80/42/1325428042.db2.gz JXDLKXDNBMUEDE-CABCVRRESA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC001027293798 1325428046 /nfs/dbraw/zinc/42/80/46/1325428046.db2.gz JXDLKXDNBMUEDE-CABCVRRESA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC=CCC2)C1 ZINC001033327066 1341782108 /nfs/dbraw/zinc/78/21/08/1341782108.db2.gz BTWAZRBUKGEJTM-GJZGRUSLSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC=CCC2)C1 ZINC001033327066 1341782109 /nfs/dbraw/zinc/78/21/09/1341782109.db2.gz BTWAZRBUKGEJTM-GJZGRUSLSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)c(F)c2)C1 ZINC001033448759 1341828692 /nfs/dbraw/zinc/82/86/92/1341828692.db2.gz IWLPJKVCYCEIIV-LBPRGKRZSA-N 1 2 331.218 3.378 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)c(F)c2)C1 ZINC001033448759 1341828694 /nfs/dbraw/zinc/82/86/94/1341828694.db2.gz IWLPJKVCYCEIIV-LBPRGKRZSA-N 1 2 331.218 3.378 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC001027497439 1327760042 /nfs/dbraw/zinc/76/00/42/1327760042.db2.gz IWJZFGUOASIKPQ-IIAWOOMASA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC001027497439 1327760049 /nfs/dbraw/zinc/76/00/49/1327760049.db2.gz IWJZFGUOASIKPQ-IIAWOOMASA-N 1 2 341.293 3.008 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C)o1 ZINC000964903580 1327761746 /nfs/dbraw/zinc/76/17/46/1327761746.db2.gz JOVWOYXAIAZBLA-LPHOPBHVSA-N 1 2 336.435 3.080 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2C[N@H+](CC#Cc3ccccc3)CC[C@@H]2C)o1 ZINC000964903580 1327761752 /nfs/dbraw/zinc/76/17/52/1327761752.db2.gz JOVWOYXAIAZBLA-LPHOPBHVSA-N 1 2 336.435 3.080 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)[C@@H](C)c3nc(C)no3)C2)CC1 ZINC001027555313 1327862572 /nfs/dbraw/zinc/86/25/72/1327862572.db2.gz JCISPGCCGBYQCI-WMLDXEAASA-N 1 2 346.475 3.108 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@H+](C)[C@@H](C)c3nc(C)no3)C2)CC1 ZINC001027555313 1327862583 /nfs/dbraw/zinc/86/25/83/1327862583.db2.gz JCISPGCCGBYQCI-WMLDXEAASA-N 1 2 346.475 3.108 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)[C@@H](C)c3ncccn3)C2)CC1 ZINC001027559339 1327870990 /nfs/dbraw/zinc/87/09/90/1327870990.db2.gz VLQNGTWDSIGQCL-FUHWJXTLSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@H+](C)[C@@H](C)c3ncccn3)C2)CC1 ZINC001027559339 1327870995 /nfs/dbraw/zinc/87/09/95/1327870995.db2.gz VLQNGTWDSIGQCL-FUHWJXTLSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ncc(C)s2)C1 ZINC001027559660 1327873402 /nfs/dbraw/zinc/87/34/02/1327873402.db2.gz DGKOGKZLKREVNW-CRAIPNDOSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ncc(C)s2)C1 ZINC001027559660 1327873406 /nfs/dbraw/zinc/87/34/06/1327873406.db2.gz DGKOGKZLKREVNW-CRAIPNDOSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C[C@@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccon2)C1)c1ccccc1 ZINC001027691097 1328095243 /nfs/dbraw/zinc/09/52/43/1328095243.db2.gz UVLNERXSWOTFTP-RBUKOAKNSA-N 1 2 339.439 3.067 20 30 EGEDLO C=C[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccon2)C1)c1ccccc1 ZINC001027691097 1328095254 /nfs/dbraw/zinc/09/52/54/1328095254.db2.gz UVLNERXSWOTFTP-RBUKOAKNSA-N 1 2 339.439 3.067 20 30 EGEDLO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1)c1ccco1 ZINC001027720565 1328135964 /nfs/dbraw/zinc/13/59/64/1328135964.db2.gz SNOHKGZIINJTEN-QGZVFWFLSA-N 1 2 342.826 3.179 20 30 EGEDLO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1)c1ccco1 ZINC001027720565 1328135968 /nfs/dbraw/zinc/13/59/68/1328135968.db2.gz SNOHKGZIINJTEN-QGZVFWFLSA-N 1 2 342.826 3.179 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2ccc(F)cc2F)C1 ZINC000966239631 1328235414 /nfs/dbraw/zinc/23/54/14/1328235414.db2.gz WOWUBJULUWNVHW-ZBEGNZNMSA-N 1 2 342.817 3.086 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2ccc(F)cc2F)C1 ZINC000966239631 1328235419 /nfs/dbraw/zinc/23/54/19/1328235419.db2.gz WOWUBJULUWNVHW-ZBEGNZNMSA-N 1 2 342.817 3.086 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C(F)F)nc2)C1 ZINC000966566520 1328343113 /nfs/dbraw/zinc/34/31/13/1328343113.db2.gz PVNSUZOPVHFXNA-QMTHXVAHSA-N 1 2 343.805 3.212 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C(F)F)nc2)C1 ZINC000966566520 1328343122 /nfs/dbraw/zinc/34/31/22/1328343122.db2.gz PVNSUZOPVHFXNA-QMTHXVAHSA-N 1 2 343.805 3.212 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1c(C)noc1C(C)C ZINC001027945792 1328418989 /nfs/dbraw/zinc/41/89/89/1328418989.db2.gz IZODAMRFSVYBGS-ZDUSSCGKSA-N 1 2 325.840 3.053 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)noc1C(C)C ZINC001027945792 1328418993 /nfs/dbraw/zinc/41/89/93/1328418993.db2.gz IZODAMRFSVYBGS-ZDUSSCGKSA-N 1 2 325.840 3.053 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1nc(Cl)sc1C ZINC001028019269 1328481390 /nfs/dbraw/zinc/48/13/90/1328481390.db2.gz RKESNYBLOOYGHZ-SNVBAGLBSA-N 1 2 334.272 3.052 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1nc(Cl)sc1C ZINC001028019269 1328481397 /nfs/dbraw/zinc/48/13/97/1328481397.db2.gz RKESNYBLOOYGHZ-SNVBAGLBSA-N 1 2 334.272 3.052 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC001028022171 1328484178 /nfs/dbraw/zinc/48/41/78/1328484178.db2.gz IMCJJKRYZFCCFS-OAHLLOKOSA-N 1 2 348.874 3.303 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC001028022171 1328484182 /nfs/dbraw/zinc/48/41/82/1328484182.db2.gz IMCJJKRYZFCCFS-OAHLLOKOSA-N 1 2 348.874 3.303 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Nc2cccc(OC)c2)cc1 ZINC000862584274 1329497764 /nfs/dbraw/zinc/49/77/64/1329497764.db2.gz DWIWEWGKFGOGCM-FQEVSTJZSA-N 1 2 349.434 3.475 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Nc2cccc(OC)c2)cc1 ZINC000862584274 1329497765 /nfs/dbraw/zinc/49/77/65/1329497765.db2.gz DWIWEWGKFGOGCM-FQEVSTJZSA-N 1 2 349.434 3.475 20 30 EGEDLO CCn1c[nH+]c2c1CCN(Cc1ccc(C#N)cc1Br)C2 ZINC000933257882 1329875483 /nfs/dbraw/zinc/87/54/83/1329875483.db2.gz HEEBOPVHIJAOFQ-UHFFFAOYSA-N 1 2 345.244 3.095 20 30 EGEDLO CCO[C@H](C)c1noc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC000933611785 1329905737 /nfs/dbraw/zinc/90/57/37/1329905737.db2.gz BBIPBRZYNQCKAO-CQSZACIVSA-N 1 2 340.427 3.418 20 30 EGEDLO CO[C@H](C)c1noc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC000933613021 1329906040 /nfs/dbraw/zinc/90/60/40/1329906040.db2.gz OPMYNMLKLVDZFH-CYBMUJFWSA-N 1 2 326.400 3.028 20 30 EGEDLO C#Cc1ccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000934938071 1330018810 /nfs/dbraw/zinc/01/88/10/1330018810.db2.gz XNYFHXKDSOQDKX-UHFFFAOYSA-N 1 2 325.437 3.079 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CCCc2csc(C)n2)CC1 ZINC001195865816 1368506006 /nfs/dbraw/zinc/50/60/06/1368506006.db2.gz OERMWPJYCFAEGG-UHFFFAOYSA-N 1 2 341.908 3.061 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CCCc2csc(C)n2)CC1 ZINC001195865816 1368506009 /nfs/dbraw/zinc/50/60/09/1368506009.db2.gz OERMWPJYCFAEGG-UHFFFAOYSA-N 1 2 341.908 3.061 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)C[C@@H]1C ZINC000947301123 1333082390 /nfs/dbraw/zinc/08/23/90/1333082390.db2.gz OFAZQZIBNUWEBE-WFASDCNBSA-N 1 2 341.293 3.365 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)C[C@@H]1C ZINC000947301123 1333082393 /nfs/dbraw/zinc/08/23/93/1333082393.db2.gz OFAZQZIBNUWEBE-WFASDCNBSA-N 1 2 341.293 3.365 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3nccc(C)n3)[C@H](C)C2)CC1 ZINC000947688717 1333223829 /nfs/dbraw/zinc/22/38/29/1333223829.db2.gz DYNRAWZFORTHEO-SJLPKXTDSA-N 1 2 342.487 3.001 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3nccc(C)n3)[C@H](C)C2)CC1 ZINC000947688717 1333223830 /nfs/dbraw/zinc/22/38/30/1333223830.db2.gz DYNRAWZFORTHEO-SJLPKXTDSA-N 1 2 342.487 3.001 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3coc(C4CC4)n3)[C@@H](C)C2)C1 ZINC000947702674 1333232894 /nfs/dbraw/zinc/23/28/94/1333232894.db2.gz QWTYUMPZTUKDTK-GOEBONIOSA-N 1 2 343.471 3.377 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3coc(C4CC4)n3)[C@@H](C)C2)C1 ZINC000947702674 1333232897 /nfs/dbraw/zinc/23/28/97/1333232897.db2.gz QWTYUMPZTUKDTK-GOEBONIOSA-N 1 2 343.471 3.377 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)C(C)(C)C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947961346 1333321917 /nfs/dbraw/zinc/32/19/17/1333321917.db2.gz AXRYHSWESCDOPD-GUYCJALGSA-N 1 2 331.435 3.213 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)C(C)(C)C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947961346 1333321919 /nfs/dbraw/zinc/32/19/19/1333321919.db2.gz AXRYHSWESCDOPD-GUYCJALGSA-N 1 2 331.435 3.213 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1occ2c1CCC2 ZINC000948940185 1333741999 /nfs/dbraw/zinc/74/19/99/1333741999.db2.gz FODZURYRHWLMJL-HXUWFJFHSA-N 1 2 348.446 3.121 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1occ2c1CCC2 ZINC000948940185 1333742001 /nfs/dbraw/zinc/74/20/01/1333742001.db2.gz FODZURYRHWLMJL-HXUWFJFHSA-N 1 2 348.446 3.121 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc2[nH]ccc2c1 ZINC000948955628 1333747022 /nfs/dbraw/zinc/74/70/22/1333747022.db2.gz YKXPXKNUQKACJW-OAQYLSRUSA-N 1 2 343.430 3.130 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc2[nH]ccc2c1 ZINC000948955628 1333747025 /nfs/dbraw/zinc/74/70/25/1333747025.db2.gz YKXPXKNUQKACJW-OAQYLSRUSA-N 1 2 343.430 3.130 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000948978022 1333754700 /nfs/dbraw/zinc/75/47/00/1333754700.db2.gz GTISMPFCWTZWRT-BHDDXSALSA-N 1 2 344.458 3.139 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000948978022 1333754701 /nfs/dbraw/zinc/75/47/01/1333754701.db2.gz GTISMPFCWTZWRT-BHDDXSALSA-N 1 2 344.458 3.139 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc2sccc2[nH]1 ZINC000948978916 1333755227 /nfs/dbraw/zinc/75/52/27/1333755227.db2.gz PIKYGFIGFSDTIR-GOSISDBHSA-N 1 2 349.459 3.192 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc2sccc2[nH]1 ZINC000948978916 1333755230 /nfs/dbraw/zinc/75/52/30/1333755230.db2.gz PIKYGFIGFSDTIR-GOSISDBHSA-N 1 2 349.459 3.192 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC2(CC1)C[N@H+](C/C=C\Cl)CCO2 ZINC000949462777 1333853567 /nfs/dbraw/zinc/85/35/67/1333853567.db2.gz JEHXIUTWNKFVOB-UXHZXRBQSA-N 1 2 340.895 3.035 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC2(CC1)C[N@@H+](C/C=C\Cl)CCO2 ZINC000949462777 1333853572 /nfs/dbraw/zinc/85/35/72/1333853572.db2.gz JEHXIUTWNKFVOB-UXHZXRBQSA-N 1 2 340.895 3.035 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](CCOc2cccc(CC)c2)CC1 ZINC000949631980 1333886135 /nfs/dbraw/zinc/88/61/35/1333886135.db2.gz YFBCEGOSKOGHHM-UHFFFAOYSA-N 1 2 344.499 3.374 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](Cc2cccc(OC)c2C)CC1 ZINC000949632007 1333886218 /nfs/dbraw/zinc/88/62/18/1333886218.db2.gz ZPCYFNUHVZAXEI-UHFFFAOYSA-N 1 2 330.472 3.250 20 30 EGEDLO C=C1CCC(C(=O)N2CC[NH+](Cc3ccc(C)c(OC)c3)CC2)CC1 ZINC000950047483 1334001995 /nfs/dbraw/zinc/00/19/95/1334001995.db2.gz XMUQJVTYBXQPLO-UHFFFAOYSA-N 1 2 342.483 3.394 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](CCOc2ccccc2C)CC1 ZINC000950050855 1334003253 /nfs/dbraw/zinc/00/32/53/1334003253.db2.gz BMOGXRHFWGYZNS-FQEVSTJZSA-N 1 2 330.472 3.120 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC000967208205 1335676649 /nfs/dbraw/zinc/67/66/49/1335676649.db2.gz RJRIICGANNCROA-MLGOLLRUSA-N 1 2 346.862 3.064 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC000967208205 1335676650 /nfs/dbraw/zinc/67/66/50/1335676650.db2.gz RJRIICGANNCROA-MLGOLLRUSA-N 1 2 346.862 3.064 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@@H](Nc3cc[nH+]c(C)n3)[C@H](C)C2)CC1 ZINC001063792762 1352011659 /nfs/dbraw/zinc/01/16/59/1352011659.db2.gz YNVHDBGZYGVYIZ-RHSMWYFYSA-N 1 2 328.460 3.180 20 30 EGEDLO Cc1coc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C)c1 ZINC000967892219 1335824972 /nfs/dbraw/zinc/82/49/72/1335824972.db2.gz CFYMCGOUCHDNHD-PKOBYXMFSA-N 1 2 336.435 3.080 20 30 EGEDLO Cc1coc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)CC[C@@H]2C)c1 ZINC000967892219 1335824976 /nfs/dbraw/zinc/82/49/76/1335824976.db2.gz CFYMCGOUCHDNHD-PKOBYXMFSA-N 1 2 336.435 3.080 20 30 EGEDLO Cc1coc(C(=O)N[C@H]2C[N@@H+](Cc3ccc(C#N)s3)CC[C@H]2C)c1 ZINC000967894231 1335825859 /nfs/dbraw/zinc/82/58/59/1335825859.db2.gz IJHOBBWNWUCTHC-CJNGLKHVSA-N 1 2 343.452 3.162 20 30 EGEDLO Cc1coc(C(=O)N[C@H]2C[N@H+](Cc3ccc(C#N)s3)CC[C@H]2C)c1 ZINC000967894231 1335825864 /nfs/dbraw/zinc/82/58/64/1335825864.db2.gz IJHOBBWNWUCTHC-CJNGLKHVSA-N 1 2 343.452 3.162 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3ccncc3Cl)CC[C@@H]2C)C1 ZINC000968210705 1335872147 /nfs/dbraw/zinc/87/21/47/1335872147.db2.gz IFNMSXZPDZIZRR-WMLDXEAASA-N 1 2 347.890 3.418 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3ccncc3Cl)CC[C@@H]2C)C1 ZINC000968210705 1335872150 /nfs/dbraw/zinc/87/21/50/1335872150.db2.gz IFNMSXZPDZIZRR-WMLDXEAASA-N 1 2 347.890 3.418 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](Cc3ccn(C(C)C)n3)CC[C@@H]2C)C1 ZINC000968275928 1335882751 /nfs/dbraw/zinc/88/27/51/1335882751.db2.gz TZOULPWWOMRDTH-WMZOPIPTSA-N 1 2 344.503 3.147 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](Cc3ccn(C(C)C)n3)CC[C@@H]2C)C1 ZINC000968275928 1335882755 /nfs/dbraw/zinc/88/27/55/1335882755.db2.gz TZOULPWWOMRDTH-WMZOPIPTSA-N 1 2 344.503 3.147 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(OCC)c2)C1 ZINC000968363960 1335903895 /nfs/dbraw/zinc/90/38/95/1335903895.db2.gz AXICAMLBUVORSX-SUMWQHHRSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(OCC)c2)C1 ZINC000968363960 1335903898 /nfs/dbraw/zinc/90/38/98/1335903898.db2.gz AXICAMLBUVORSX-SUMWQHHRSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(OC)c2C)C1 ZINC000968366554 1335905430 /nfs/dbraw/zinc/90/54/30/1335905430.db2.gz ZKPOWKVIXAOZPY-MLGOLLRUSA-N 1 2 336.863 3.196 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(OC)c2C)C1 ZINC000968366554 1335905433 /nfs/dbraw/zinc/90/54/33/1335905433.db2.gz ZKPOWKVIXAOZPY-MLGOLLRUSA-N 1 2 336.863 3.196 20 30 EGEDLO C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(-c3ccco3)s2)C1 ZINC000968488861 1335938911 /nfs/dbraw/zinc/93/89/11/1335938911.db2.gz MLKZAUUHIICIGL-UONOGXRCSA-N 1 2 328.437 3.082 20 30 EGEDLO C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(-c3ccco3)s2)C1 ZINC000968488861 1335938912 /nfs/dbraw/zinc/93/89/12/1335938912.db2.gz MLKZAUUHIICIGL-UONOGXRCSA-N 1 2 328.437 3.082 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3ccncc3c2)C1 ZINC000968505528 1335945802 /nfs/dbraw/zinc/94/58/02/1335945802.db2.gz PGMHPPHMLYYNPC-FZKQIMNGSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3ccncc3c2)C1 ZINC000968505528 1335945804 /nfs/dbraw/zinc/94/58/04/1335945804.db2.gz PGMHPPHMLYYNPC-FZKQIMNGSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3ccncc3c2)C1 ZINC000968505527 1335945861 /nfs/dbraw/zinc/94/58/61/1335945861.db2.gz PGMHPPHMLYYNPC-ACJLOTCBSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3ccncc3c2)C1 ZINC000968505527 1335945863 /nfs/dbraw/zinc/94/58/63/1335945863.db2.gz PGMHPPHMLYYNPC-ACJLOTCBSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC000968598886 1335979240 /nfs/dbraw/zinc/97/92/40/1335979240.db2.gz NFUCBILKWJCCGJ-SJCJKPOMSA-N 1 2 333.863 3.152 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC000968598886 1335979242 /nfs/dbraw/zinc/97/92/42/1335979242.db2.gz NFUCBILKWJCCGJ-SJCJKPOMSA-N 1 2 333.863 3.152 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2ccccc2Cl)C1 ZINC000968624762 1335988426 /nfs/dbraw/zinc/98/84/26/1335988426.db2.gz ZBHGWAHNGYKQBI-LRDDRELGSA-N 1 2 341.282 3.462 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2ccccc2Cl)C1 ZINC000968624762 1335988429 /nfs/dbraw/zinc/98/84/29/1335988429.db2.gz ZBHGWAHNGYKQBI-LRDDRELGSA-N 1 2 341.282 3.462 20 30 EGEDLO C[C@H]1C[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000968987860 1336110964 /nfs/dbraw/zinc/11/09/64/1336110964.db2.gz NRHRSUSDPWKRHD-KYNGSXCRSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H]1C[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000968987860 1336110968 /nfs/dbraw/zinc/11/09/68/1336110968.db2.gz NRHRSUSDPWKRHD-KYNGSXCRSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1sccc1OC ZINC000969121922 1336150742 /nfs/dbraw/zinc/15/07/42/1336150742.db2.gz QTPNSURFHFSSTH-ZDUSSCGKSA-N 1 2 342.892 3.484 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1sccc1OC ZINC000969121922 1336150745 /nfs/dbraw/zinc/15/07/45/1336150745.db2.gz QTPNSURFHFSSTH-ZDUSSCGKSA-N 1 2 342.892 3.484 20 30 EGEDLO C[C@H](NC(=O)C1CC(C)(C)C1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969611963 1336228948 /nfs/dbraw/zinc/22/89/48/1336228948.db2.gz HBUZZQCKLOYZBX-ZDUSSCGKSA-N 1 2 343.446 3.070 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc3c([nH]2)c(F)ccc3C)C1 ZINC000970004332 1336270901 /nfs/dbraw/zinc/27/09/01/1336270901.db2.gz IJIPOACBICDJLM-LBPRGKRZSA-N 1 2 349.837 3.418 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccnc3ccccc32)C1 ZINC000970094159 1336279609 /nfs/dbraw/zinc/27/96/09/1336279609.db2.gz SSXRUPBRPVBSBH-ZDUSSCGKSA-N 1 2 329.831 3.037 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H](C)C2C[NH+](Cc3ncoc3C(C)C)C2)CC1 ZINC000970375112 1336300125 /nfs/dbraw/zinc/30/01/25/1336300125.db2.gz APKCHFZDWOYQKZ-HNNXBMFYSA-N 1 2 345.487 3.481 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC000970567106 1336322299 /nfs/dbraw/zinc/32/22/99/1336322299.db2.gz OGFCKHJBHGBSRM-FHLIZLRMSA-N 1 2 332.875 3.288 20 30 EGEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)c1ccccc1F ZINC001006583375 1336531472 /nfs/dbraw/zinc/53/14/72/1336531472.db2.gz DIUFCOMXTAOYIU-SFHVURJKSA-N 1 2 336.410 3.072 20 30 EGEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1ccccc1F ZINC001006583375 1336531475 /nfs/dbraw/zinc/53/14/75/1336531475.db2.gz DIUFCOMXTAOYIU-SFHVURJKSA-N 1 2 336.410 3.072 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)s1 ZINC001006604654 1336537736 /nfs/dbraw/zinc/53/77/36/1336537736.db2.gz WGGQFHAFXWWBQN-GOSISDBHSA-N 1 2 338.476 3.302 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)s1 ZINC001006604654 1336537738 /nfs/dbraw/zinc/53/77/38/1336537738.db2.gz WGGQFHAFXWWBQN-GOSISDBHSA-N 1 2 338.476 3.302 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3cccs3)C2)cc1F ZINC001006626123 1336541757 /nfs/dbraw/zinc/54/17/57/1336541757.db2.gz QIXAJIJLARMAQA-OAHLLOKOSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3cccs3)C2)cc1F ZINC001006626123 1336541758 /nfs/dbraw/zinc/54/17/58/1336541758.db2.gz QIXAJIJLARMAQA-OAHLLOKOSA-N 1 2 343.427 3.153 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCOc3ccccc32)C1 ZINC001008180236 1336785727 /nfs/dbraw/zinc/78/57/27/1336785727.db2.gz YOMDFAORIIEFHU-HZPDHXFCSA-N 1 2 348.874 3.276 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCOc3ccccc32)C1 ZINC001008180236 1336785730 /nfs/dbraw/zinc/78/57/30/1336785730.db2.gz YOMDFAORIIEFHU-HZPDHXFCSA-N 1 2 348.874 3.276 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)c2cc[nH]c2C2CC2)C1 ZINC001008333796 1336825008 /nfs/dbraw/zinc/82/50/08/1336825008.db2.gz VBLZAKMVMMDJFK-SFHVURJKSA-N 1 2 348.450 3.158 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)c2cc[nH]c2C2CC2)C1 ZINC001008333796 1336825011 /nfs/dbraw/zinc/82/50/11/1336825011.db2.gz VBLZAKMVMMDJFK-SFHVURJKSA-N 1 2 348.450 3.158 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001008666052 1336906747 /nfs/dbraw/zinc/90/67/47/1336906747.db2.gz LVAFTPMBSBUOLQ-ZWKOTPCHSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001008666052 1336906749 /nfs/dbraw/zinc/90/67/49/1336906749.db2.gz LVAFTPMBSBUOLQ-ZWKOTPCHSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3cccc(OC)c32)C1 ZINC001008803030 1336928265 /nfs/dbraw/zinc/92/82/65/1336928265.db2.gz XLZOZUXMCSUSPS-HOTGVXAUSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3cccc(OC)c32)C1 ZINC001008803030 1336928267 /nfs/dbraw/zinc/92/82/67/1336928267.db2.gz XLZOZUXMCSUSPS-HOTGVXAUSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCc3ccccc32)C1 ZINC001008927535 1336944098 /nfs/dbraw/zinc/94/40/98/1336944098.db2.gz SOYIMBNTAREFRF-SJORKVTESA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCc3ccccc32)C1 ZINC001008927535 1336944101 /nfs/dbraw/zinc/94/41/01/1336944101.db2.gz SOYIMBNTAREFRF-SJORKVTESA-N 1 2 332.875 3.440 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C3(F)CCCCC3)C2)s1 ZINC001009099668 1336969672 /nfs/dbraw/zinc/96/96/72/1336969672.db2.gz YUIWCOAMGNVEHF-CQSZACIVSA-N 1 2 349.475 3.373 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3(F)CCCCC3)C2)s1 ZINC001009099668 1336969674 /nfs/dbraw/zinc/96/96/74/1336969674.db2.gz YUIWCOAMGNVEHF-CQSZACIVSA-N 1 2 349.475 3.373 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccccc2Cl)C1 ZINC001009434514 1337023324 /nfs/dbraw/zinc/02/33/24/1337023324.db2.gz LKEHLRIHSCKRCU-CQSZACIVSA-N 1 2 327.255 3.216 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2ccccc2Cl)C1 ZINC001009434514 1337023326 /nfs/dbraw/zinc/02/33/26/1337023326.db2.gz LKEHLRIHSCKRCU-CQSZACIVSA-N 1 2 327.255 3.216 20 30 EGEDLO Cc1cscc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010480702 1337204535 /nfs/dbraw/zinc/20/45/35/1337204535.db2.gz CLCDKJQGTPJPSC-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1cscc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010480702 1337204537 /nfs/dbraw/zinc/20/45/37/1337204537.db2.gz CLCDKJQGTPJPSC-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(F)=C3CCCC3)C2)s1 ZINC001010567057 1337223872 /nfs/dbraw/zinc/22/38/72/1337223872.db2.gz LYPAXWOZZJHRIX-ZDUSSCGKSA-N 1 2 333.432 3.108 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(F)=C3CCCC3)C2)s1 ZINC001010567057 1337223875 /nfs/dbraw/zinc/22/38/75/1337223875.db2.gz LYPAXWOZZJHRIX-ZDUSSCGKSA-N 1 2 333.432 3.108 20 30 EGEDLO Cc1sccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001014364793 1337754464 /nfs/dbraw/zinc/75/44/64/1337754464.db2.gz UUMJYGGWLNIOEH-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1sccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001014364793 1337754467 /nfs/dbraw/zinc/75/44/67/1337754467.db2.gz UUMJYGGWLNIOEH-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(c3cccc(Cl)c3)CC2)C1 ZINC001014641992 1337856616 /nfs/dbraw/zinc/85/66/16/1337856616.db2.gz BCDPSQLBINYDII-OAHLLOKOSA-N 1 2 339.266 3.315 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(c3cccc(Cl)c3)CC2)C1 ZINC001014641992 1337856618 /nfs/dbraw/zinc/85/66/18/1337856618.db2.gz BCDPSQLBINYDII-OAHLLOKOSA-N 1 2 339.266 3.315 20 30 EGEDLO CC(C)c1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)n1 ZINC001015138940 1338030137 /nfs/dbraw/zinc/03/01/37/1338030137.db2.gz VCNWJPDBARPTKL-GOSISDBHSA-N 1 2 348.450 3.081 20 30 EGEDLO CC(C)c1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC001015138940 1338030139 /nfs/dbraw/zinc/03/01/39/1338030139.db2.gz VCNWJPDBARPTKL-GOSISDBHSA-N 1 2 348.450 3.081 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ccoc3C3CC3)C2)s1 ZINC001015610996 1338207528 /nfs/dbraw/zinc/20/75/28/1338207528.db2.gz CKSUECMNQSUVIE-CYBMUJFWSA-N 1 2 341.436 3.094 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccoc3C3CC3)C2)s1 ZINC001015610996 1338207530 /nfs/dbraw/zinc/20/75/30/1338207530.db2.gz CKSUECMNQSUVIE-CYBMUJFWSA-N 1 2 341.436 3.094 20 30 EGEDLO CC1(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)CCCCC1 ZINC001015650925 1338229967 /nfs/dbraw/zinc/22/99/67/1338229967.db2.gz YRWUGYJJNPGTRP-QGZVFWFLSA-N 1 2 343.446 3.358 20 30 EGEDLO CC1(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)CCCCC1 ZINC001015650925 1338229971 /nfs/dbraw/zinc/22/99/71/1338229971.db2.gz YRWUGYJJNPGTRP-QGZVFWFLSA-N 1 2 343.446 3.358 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1)c1cccs1 ZINC001015691200 1338262305 /nfs/dbraw/zinc/26/23/05/1338262305.db2.gz ZPYMLVKMFQVOJB-WMLDXEAASA-N 1 2 339.464 3.114 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1)c1cccs1 ZINC001015691200 1338262314 /nfs/dbraw/zinc/26/23/14/1338262314.db2.gz ZPYMLVKMFQVOJB-WMLDXEAASA-N 1 2 339.464 3.114 20 30 EGEDLO CC(C)c1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)nc1 ZINC001015704768 1338269956 /nfs/dbraw/zinc/26/99/56/1338269956.db2.gz DYBOFDYNRZJFQI-IBGZPJMESA-N 1 2 348.450 3.081 20 30 EGEDLO CC(C)c1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)nc1 ZINC001015704768 1338269959 /nfs/dbraw/zinc/26/99/59/1338269959.db2.gz DYBOFDYNRZJFQI-IBGZPJMESA-N 1 2 348.450 3.081 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)c(F)c1 ZINC001015750367 1338288602 /nfs/dbraw/zinc/28/86/02/1338288602.db2.gz BHTTZPPLIGZYJV-CYBMUJFWSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)c(F)c1 ZINC001015750367 1338288607 /nfs/dbraw/zinc/28/86/07/1338288607.db2.gz BHTTZPPLIGZYJV-CYBMUJFWSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)cs1 ZINC001015853782 1338334671 /nfs/dbraw/zinc/33/46/71/1338334671.db2.gz YVYGXQYDNNOTJU-MRXNPFEDSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)cs1 ZINC001015853782 1338334675 /nfs/dbraw/zinc/33/46/75/1338334675.db2.gz YVYGXQYDNNOTJU-MRXNPFEDSA-N 1 2 343.427 3.072 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)C3(F)CCCCC3)C2)c1 ZINC001015944122 1338370242 /nfs/dbraw/zinc/37/02/42/1338370242.db2.gz FDLJUSMHFZVMIC-INIZCTEOSA-N 1 2 347.409 3.060 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)C3(F)CCCCC3)C2)c1 ZINC001015944122 1338370246 /nfs/dbraw/zinc/37/02/46/1338370246.db2.gz FDLJUSMHFZVMIC-INIZCTEOSA-N 1 2 347.409 3.060 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(N(CC)CC)cc2)C1 ZINC001016087447 1338454016 /nfs/dbraw/zinc/45/40/16/1338454016.db2.gz HJYVJJARMFPVOM-INIZCTEOSA-N 1 2 335.879 3.089 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(N(CC)CC)cc2)C1 ZINC001016087447 1338454018 /nfs/dbraw/zinc/45/40/18/1338454018.db2.gz HJYVJJARMFPVOM-INIZCTEOSA-N 1 2 335.879 3.089 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001016223627 1338515142 /nfs/dbraw/zinc/51/51/42/1338515142.db2.gz XBYPXTKNOZUDBT-NRFANRHFSA-N 1 2 345.446 3.051 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001016223627 1338515146 /nfs/dbraw/zinc/51/51/46/1338515146.db2.gz XBYPXTKNOZUDBT-NRFANRHFSA-N 1 2 345.446 3.051 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](C[N@@H+](C)[C@H](C)c2noc(C)n2)C1 ZINC001017180853 1338925232 /nfs/dbraw/zinc/92/52/32/1338925232.db2.gz WFAQMATVIVXQHU-ZBFHGGJFSA-N 1 2 348.491 3.212 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](C[N@H+](C)[C@H](C)c2noc(C)n2)C1 ZINC001017180853 1338925235 /nfs/dbraw/zinc/92/52/35/1338925235.db2.gz WFAQMATVIVXQHU-ZBFHGGJFSA-N 1 2 348.491 3.212 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@]23C[C@H]2CCCC3)c1 ZINC001017919126 1339451156 /nfs/dbraw/zinc/45/11/56/1339451156.db2.gz GGUUKGIQHRQQRT-XWSHUIEDSA-N 1 2 349.478 3.314 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@]23C[C@H]2CCCC3)c1 ZINC001017919126 1339451158 /nfs/dbraw/zinc/45/11/58/1339451158.db2.gz GGUUKGIQHRQQRT-XWSHUIEDSA-N 1 2 349.478 3.314 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)c(Cl)c1 ZINC001018208475 1339533397 /nfs/dbraw/zinc/53/33/97/1339533397.db2.gz MSCNNYIKRDTGGG-OKILXGFUSA-N 1 2 337.250 3.306 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)c(Cl)c1 ZINC001018208475 1339533405 /nfs/dbraw/zinc/53/34/05/1339533405.db2.gz MSCNNYIKRDTGGG-OKILXGFUSA-N 1 2 337.250 3.306 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(C2CCCCC2)n1 ZINC001018325688 1339578046 /nfs/dbraw/zinc/57/80/46/1339578046.db2.gz UFPHFLLYYJUTMN-CALCHBBNSA-N 1 2 341.455 3.034 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(C2CCCCC2)n1 ZINC001018325688 1339578053 /nfs/dbraw/zinc/57/80/53/1339578053.db2.gz UFPHFLLYYJUTMN-CALCHBBNSA-N 1 2 341.455 3.034 20 30 EGEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(CC(C)C)s1 ZINC001018335437 1339581674 /nfs/dbraw/zinc/58/16/74/1339581674.db2.gz VXDOHQXJPPZVQT-GASCZTMLSA-N 1 2 333.501 3.207 20 30 EGEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(CC(C)C)s1 ZINC001018335437 1339581678 /nfs/dbraw/zinc/58/16/78/1339581678.db2.gz VXDOHQXJPPZVQT-GASCZTMLSA-N 1 2 333.501 3.207 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC=C(Cl)Cl)cc1 ZINC001028066982 1340407170 /nfs/dbraw/zinc/40/71/70/1340407170.db2.gz LJASGVHAHBNFGK-OAHLLOKOSA-N 1 2 337.250 3.181 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC=C(Cl)Cl)cc1 ZINC001028066982 1340407172 /nfs/dbraw/zinc/40/71/72/1340407172.db2.gz LJASGVHAHBNFGK-OAHLLOKOSA-N 1 2 337.250 3.181 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CC=C(Cl)Cl)cc1 ZINC001028066981 1340407195 /nfs/dbraw/zinc/40/71/95/1340407195.db2.gz LJASGVHAHBNFGK-HNNXBMFYSA-N 1 2 337.250 3.181 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC=C(Cl)Cl)cc1 ZINC001028066981 1340407197 /nfs/dbraw/zinc/40/71/97/1340407197.db2.gz LJASGVHAHBNFGK-HNNXBMFYSA-N 1 2 337.250 3.181 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@H+]2Cc2nc(C)c(C)o2)CC1 ZINC001028114261 1340435430 /nfs/dbraw/zinc/43/54/30/1340435430.db2.gz GDZOALSRDGFLTJ-KRWDZBQOSA-N 1 2 331.460 3.118 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2nc(C)c(C)o2)CC1 ZINC001028114261 1340435432 /nfs/dbraw/zinc/43/54/32/1340435432.db2.gz GDZOALSRDGFLTJ-KRWDZBQOSA-N 1 2 331.460 3.118 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N2CC=CC2)cc1 ZINC001028134841 1340448893 /nfs/dbraw/zinc/44/88/93/1340448893.db2.gz GFKKBTPCGQKHKC-SFHVURJKSA-N 1 2 345.874 3.010 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(N2CC=CC2)cc1 ZINC001028134841 1340448895 /nfs/dbraw/zinc/44/88/95/1340448895.db2.gz GFKKBTPCGQKHKC-SFHVURJKSA-N 1 2 345.874 3.010 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2cccc(OC)c21 ZINC001028184118 1340473828 /nfs/dbraw/zinc/47/38/28/1340473828.db2.gz HSTJCQJUKCUCLZ-CVEARBPZSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2cccc(OC)c21 ZINC001028184118 1340473830 /nfs/dbraw/zinc/47/38/30/1340473830.db2.gz HSTJCQJUKCUCLZ-CVEARBPZSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2cnccc2c1 ZINC001028244465 1340505629 /nfs/dbraw/zinc/50/56/29/1340505629.db2.gz DIVIUIISTYMUFF-QGZVFWFLSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2cnccc2c1 ZINC001028244465 1340505631 /nfs/dbraw/zinc/50/56/31/1340505631.db2.gz DIVIUIISTYMUFF-QGZVFWFLSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(OCC2CC2)cc1 ZINC001028326704 1340566630 /nfs/dbraw/zinc/56/66/30/1340566630.db2.gz XNPNRGZBARFUJZ-QGZVFWFLSA-N 1 2 348.874 3.422 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(OCC2CC2)cc1 ZINC001028326704 1340566633 /nfs/dbraw/zinc/56/66/33/1340566633.db2.gz XNPNRGZBARFUJZ-QGZVFWFLSA-N 1 2 348.874 3.422 20 30 EGEDLO O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029371759 1340979728 /nfs/dbraw/zinc/97/97/28/1340979728.db2.gz NKCWUINRPVQAFZ-TWGBQZSLSA-N 1 2 348.490 3.150 20 30 EGEDLO O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029371759 1340979729 /nfs/dbraw/zinc/97/97/29/1340979729.db2.gz NKCWUINRPVQAFZ-TWGBQZSLSA-N 1 2 348.490 3.150 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029432579 1340989304 /nfs/dbraw/zinc/98/93/04/1340989304.db2.gz GUEYWXBWTDNJDK-VBQJREDUSA-N 1 2 343.496 3.231 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029432579 1340989305 /nfs/dbraw/zinc/98/93/05/1340989305.db2.gz GUEYWXBWTDNJDK-VBQJREDUSA-N 1 2 343.496 3.231 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)ns1 ZINC001029456671 1340994531 /nfs/dbraw/zinc/99/45/31/1340994531.db2.gz LYNANMPITVFHCE-DAYGRLMNSA-N 1 2 333.501 3.229 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)ns1 ZINC001029456671 1340994533 /nfs/dbraw/zinc/99/45/33/1340994533.db2.gz LYNANMPITVFHCE-DAYGRLMNSA-N 1 2 333.501 3.229 20 30 EGEDLO C=CCOc1ccc(C(=O)NC2C[NH+]([C@@H](C)c3ccccc3)C2)cc1 ZINC001030541609 1341196117 /nfs/dbraw/zinc/19/61/17/1341196117.db2.gz ULNKSKSYFPERFM-INIZCTEOSA-N 1 2 336.435 3.427 20 30 EGEDLO C=C1CCC(C(=O)NC2C[NH+](CCO[C@H]3CCCC[C@H]3C)C2)CC1 ZINC001030903704 1341246566 /nfs/dbraw/zinc/24/65/66/1341246566.db2.gz RTYXUENORQHKML-APWZRJJASA-N 1 2 334.504 3.129 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc(F)c(C(F)F)c2)C1 ZINC001031676456 1341387348 /nfs/dbraw/zinc/38/73/48/1341387348.db2.gz XMQBVYUGTPZFSB-UHFFFAOYSA-N 1 2 332.753 3.177 20 30 EGEDLO CCCc1ccccc1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031833763 1341408935 /nfs/dbraw/zinc/40/89/35/1341408935.db2.gz FAWVDJMZAOJHNU-UHFFFAOYSA-N 1 2 347.462 3.373 20 30 EGEDLO C[C@H]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031937617 1341426292 /nfs/dbraw/zinc/42/62/92/1341426292.db2.gz ZUHSURFFXHXIIQ-KSSFIOAISA-N 1 2 343.446 3.072 20 30 EGEDLO C=Cc1ccc(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)cc1 ZINC001031999037 1341437389 /nfs/dbraw/zinc/43/73/89/1341437389.db2.gz DVFNUBAASUDTOW-UHFFFAOYSA-N 1 2 349.409 3.202 20 30 EGEDLO CC(C)[C@@H]1C[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001032084985 1341450719 /nfs/dbraw/zinc/45/07/19/1341450719.db2.gz QCUYLBXUCIHRPH-OALUTQOASA-N 1 2 344.886 3.032 20 30 EGEDLO C[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1)C(C)(C)C ZINC001032476146 1341518686 /nfs/dbraw/zinc/51/86/86/1341518686.db2.gz AYZBRMRDDTVLSD-WBAXXEDZSA-N 1 2 325.456 3.026 20 30 EGEDLO C[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1)C(C)(C)C ZINC001032476146 1341518687 /nfs/dbraw/zinc/51/86/87/1341518687.db2.gz AYZBRMRDDTVLSD-WBAXXEDZSA-N 1 2 325.456 3.026 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1oc(CCC)nc1C ZINC001032558000 1341539380 /nfs/dbraw/zinc/53/93/80/1341539380.db2.gz BKXAFAVBDZZSQR-HOTGVXAUSA-N 1 2 345.487 3.323 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1oc(CCC)nc1C ZINC001032558000 1341539381 /nfs/dbraw/zinc/53/93/81/1341539381.db2.gz BKXAFAVBDZZSQR-HOTGVXAUSA-N 1 2 345.487 3.323 20 30 EGEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC=CCC2)s1 ZINC001032565886 1341541926 /nfs/dbraw/zinc/54/19/26/1341541926.db2.gz AIMHIGNYQBYLBM-JYJNAYRXSA-N 1 2 341.480 3.151 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC=CCC2)s1 ZINC001032565886 1341541927 /nfs/dbraw/zinc/54/19/27/1341541927.db2.gz AIMHIGNYQBYLBM-JYJNAYRXSA-N 1 2 341.480 3.151 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001033108459 1341728041 /nfs/dbraw/zinc/72/80/41/1341728041.db2.gz RDNXLOPVQJGYQR-ZBFHGGJFSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001033108459 1341728042 /nfs/dbraw/zinc/72/80/42/1341728042.db2.gz RDNXLOPVQJGYQR-ZBFHGGJFSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3cc(OC)ccc32)C1 ZINC001033133185 1341736581 /nfs/dbraw/zinc/73/65/81/1341736581.db2.gz BVWJURKEDGCSCP-YJBOKZPZSA-N 1 2 348.874 3.010 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3cc(OC)ccc32)C1 ZINC001033133185 1341736583 /nfs/dbraw/zinc/73/65/83/1341736583.db2.gz BVWJURKEDGCSCP-YJBOKZPZSA-N 1 2 348.874 3.010 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3ccc(OC)cc32)C1 ZINC001033149367 1341740010 /nfs/dbraw/zinc/74/00/10/1341740010.db2.gz SPULSIRHQUNETI-RDJZCZTQSA-N 1 2 348.874 3.010 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3ccc(OC)cc32)C1 ZINC001033149367 1341740012 /nfs/dbraw/zinc/74/00/12/1341740012.db2.gz SPULSIRHQUNETI-RDJZCZTQSA-N 1 2 348.874 3.010 20 30 EGEDLO CN(C(=O)c1occc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033391309 1341809604 /nfs/dbraw/zinc/80/96/04/1341809604.db2.gz NLPWXLVCXXTVMW-OAHLLOKOSA-N 1 2 343.814 3.151 20 30 EGEDLO CN(C(=O)c1occc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033391309 1341809605 /nfs/dbraw/zinc/80/96/05/1341809605.db2.gz NLPWXLVCXXTVMW-OAHLLOKOSA-N 1 2 343.814 3.151 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@H+](Cc3cc(F)ccc3F)C2)C1 ZINC001033400816 1341814310 /nfs/dbraw/zinc/81/43/10/1341814310.db2.gz XMZRQJMYJMVILE-INIZCTEOSA-N 1 2 334.410 3.354 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cc(F)ccc3F)C2)C1 ZINC001033400816 1341814311 /nfs/dbraw/zinc/81/43/11/1341814311.db2.gz XMZRQJMYJMVILE-INIZCTEOSA-N 1 2 334.410 3.354 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C3CC3)nc2C)C1 ZINC001033433741 1341823383 /nfs/dbraw/zinc/82/33/83/1341823383.db2.gz ZYUBZGBIZZWEDB-OAHLLOKOSA-N 1 2 333.863 3.166 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C3CC3)nc2C)C1 ZINC001033433741 1341823384 /nfs/dbraw/zinc/82/33/84/1341823384.db2.gz ZYUBZGBIZZWEDB-OAHLLOKOSA-N 1 2 333.863 3.166 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001033628798 1341910285 /nfs/dbraw/zinc/91/02/85/1341910285.db2.gz LZSXVDLAYCTPNH-HOCLYGCPSA-N 1 2 339.266 3.265 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001033628798 1341910289 /nfs/dbraw/zinc/91/02/89/1341910289.db2.gz LZSXVDLAYCTPNH-HOCLYGCPSA-N 1 2 339.266 3.265 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2ccccc2Cl)C1 ZINC001033639094 1341921524 /nfs/dbraw/zinc/92/15/24/1341921524.db2.gz BFJHWEYLLWZJDI-AWEZNQCLSA-N 1 2 327.255 3.168 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccccc2Cl)C1 ZINC001033639094 1341921528 /nfs/dbraw/zinc/92/15/28/1341921528.db2.gz BFJHWEYLLWZJDI-AWEZNQCLSA-N 1 2 327.255 3.168 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2ccc3c(c2)CCCC3)C1 ZINC001033656417 1341932011 /nfs/dbraw/zinc/93/20/11/1341932011.db2.gz MOYOLSDBOYEFNN-IBGZPJMESA-N 1 2 346.902 3.393 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc3c(c2)CCCC3)C1 ZINC001033656417 1341932014 /nfs/dbraw/zinc/93/20/14/1341932014.db2.gz MOYOLSDBOYEFNN-IBGZPJMESA-N 1 2 346.902 3.393 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cncc(Cl)c2C)C1 ZINC001033863747 1342050342 /nfs/dbraw/zinc/05/03/42/1342050342.db2.gz BGVFCLZXOKXALG-ZDUSSCGKSA-N 1 2 342.270 3.332 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cncc(Cl)c2C)C1 ZINC001033863747 1342050343 /nfs/dbraw/zinc/05/03/43/1342050343.db2.gz BGVFCLZXOKXALG-ZDUSSCGKSA-N 1 2 342.270 3.332 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cccc(C(C)C)n2)C1 ZINC001033884255 1342057528 /nfs/dbraw/zinc/05/75/28/1342057528.db2.gz CENXZGYOZFSBFR-HNNXBMFYSA-N 1 2 335.879 3.494 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(C(C)C)n2)C1 ZINC001033884255 1342057530 /nfs/dbraw/zinc/05/75/30/1342057530.db2.gz CENXZGYOZFSBFR-HNNXBMFYSA-N 1 2 335.879 3.494 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2oc(C(C)C)nc2C)C1 ZINC001033978636 1342126814 /nfs/dbraw/zinc/12/68/14/1342126814.db2.gz AZOJKVAXIQJJRJ-AWEZNQCLSA-N 1 2 339.867 3.395 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2oc(C(C)C)nc2C)C1 ZINC001033978636 1342126815 /nfs/dbraw/zinc/12/68/15/1342126815.db2.gz AZOJKVAXIQJJRJ-AWEZNQCLSA-N 1 2 339.867 3.395 20 30 EGEDLO CC1(C)C[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001034168283 1342292757 /nfs/dbraw/zinc/29/27/57/1342292757.db2.gz SMUQCPYUKSHGHS-ROUUACIJSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)C[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001034168283 1342292760 /nfs/dbraw/zinc/29/27/60/1342292760.db2.gz SMUQCPYUKSHGHS-ROUUACIJSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cc3c(cn2)CCCC3)C1 ZINC001034300887 1342383848 /nfs/dbraw/zinc/38/38/48/1342383848.db2.gz ODUBBZKKGJQINE-KRWDZBQOSA-N 1 2 347.890 3.297 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cc3c(cn2)CCCC3)C1 ZINC001034300887 1342383853 /nfs/dbraw/zinc/38/38/53/1342383853.db2.gz ODUBBZKKGJQINE-KRWDZBQOSA-N 1 2 347.890 3.297 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@@H+](Cc3ccn(CC)n3)C2)CC1 ZINC001034380423 1342450758 /nfs/dbraw/zinc/45/07/58/1342450758.db2.gz JDGAUARIYRKOTM-SFHVURJKSA-N 1 2 344.503 3.120 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@H+](Cc3ccn(CC)n3)C2)CC1 ZINC001034380423 1342450760 /nfs/dbraw/zinc/45/07/60/1342450760.db2.gz JDGAUARIYRKOTM-SFHVURJKSA-N 1 2 344.503 3.120 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@@H+]([C@@H](C)c3ncc(C)o3)C2)C1 ZINC001034389269 1342458415 /nfs/dbraw/zinc/45/84/15/1342458415.db2.gz NYEYNRQYXPHORI-JKSUJKDBSA-N 1 2 331.460 3.371 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@H+]([C@@H](C)c3ncc(C)o3)C2)C1 ZINC001034389269 1342458418 /nfs/dbraw/zinc/45/84/18/1342458418.db2.gz NYEYNRQYXPHORI-JKSUJKDBSA-N 1 2 331.460 3.371 20 30 EGEDLO C[C@H](C#N)C(=O)N1CCC2(C[NH+](Cc3cccc(Cl)c3F)C2)CC1 ZINC001035673872 1343131844 /nfs/dbraw/zinc/13/18/44/1343131844.db2.gz QKVPSDTUGZFYJI-CYBMUJFWSA-N 1 2 349.837 3.063 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccc(C(C)C)nc1)CC2 ZINC001035721006 1343151893 /nfs/dbraw/zinc/15/18/93/1343151893.db2.gz QBJXRDLCZQKVIE-UHFFFAOYSA-N 1 2 347.890 3.496 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cccc(COC)c1)CC2 ZINC001035742504 1343164055 /nfs/dbraw/zinc/16/40/55/1343164055.db2.gz HCPLCLPNAHRWQA-UHFFFAOYSA-N 1 2 348.874 3.124 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cc[nH]c1C1CC1)CC2 ZINC001035778179 1343188676 /nfs/dbraw/zinc/18/86/76/1343188676.db2.gz GHXFKSYWHCXFQU-UHFFFAOYSA-N 1 2 333.863 3.183 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC3(C[NH+](Cc4ccc(F)cn4)C3)CC2)C1 ZINC001035792745 1343202440 /nfs/dbraw/zinc/20/24/40/1343202440.db2.gz YXSSQEMGZRKKJJ-UHFFFAOYSA-N 1 2 343.446 3.001 20 30 EGEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1CCC=CCCC1 ZINC001038403879 1344414020 /nfs/dbraw/zinc/41/40/20/1344414020.db2.gz WFWQGZVODCUQJW-NHCUHLMSSA-N 1 2 336.479 3.365 20 30 EGEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1CCC=CCCC1 ZINC001038403879 1344414022 /nfs/dbraw/zinc/41/40/22/1344414022.db2.gz WFWQGZVODCUQJW-NHCUHLMSSA-N 1 2 336.479 3.365 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C(C)C)n2)cc1 ZINC001038577693 1344491072 /nfs/dbraw/zinc/49/10/72/1344491072.db2.gz COAACSDVVNHRSB-FQEVSTJZSA-N 1 2 347.462 3.191 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C(C)C)n2)cc1 ZINC001038577693 1344491075 /nfs/dbraw/zinc/49/10/75/1344491075.db2.gz COAACSDVVNHRSB-FQEVSTJZSA-N 1 2 347.462 3.191 20 30 EGEDLO CCc1ccccc1C(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001038647219 1344521240 /nfs/dbraw/zinc/52/12/40/1344521240.db2.gz VRMXMGOAHLBETR-FQEVSTJZSA-N 1 2 332.447 3.105 20 30 EGEDLO CCc1ccccc1C(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001038647219 1344521241 /nfs/dbraw/zinc/52/12/41/1344521241.db2.gz VRMXMGOAHLBETR-FQEVSTJZSA-N 1 2 332.447 3.105 20 30 EGEDLO Cc1cccc(F)c1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001039083676 1344760347 /nfs/dbraw/zinc/76/03/47/1344760347.db2.gz BRWLDAFUYBCKET-KRWDZBQOSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cccc(F)c1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001039083676 1344760349 /nfs/dbraw/zinc/76/03/49/1344760349.db2.gz BRWLDAFUYBCKET-KRWDZBQOSA-N 1 2 337.398 3.010 20 30 EGEDLO C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001039131451 1344809883 /nfs/dbraw/zinc/80/98/83/1344809883.db2.gz MLAYQIVRRGOOAZ-UONOGXRCSA-N 1 2 336.373 3.023 20 30 EGEDLO C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001039131451 1344809886 /nfs/dbraw/zinc/80/98/86/1344809886.db2.gz MLAYQIVRRGOOAZ-UONOGXRCSA-N 1 2 336.373 3.023 20 30 EGEDLO C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)C1 ZINC001039131451 1344809889 /nfs/dbraw/zinc/80/98/89/1344809889.db2.gz MLAYQIVRRGOOAZ-UONOGXRCSA-N 1 2 336.373 3.023 20 30 EGEDLO C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)C1 ZINC001039131451 1344809892 /nfs/dbraw/zinc/80/98/92/1344809892.db2.gz MLAYQIVRRGOOAZ-UONOGXRCSA-N 1 2 336.373 3.023 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001039441708 1345068146 /nfs/dbraw/zinc/06/81/46/1345068146.db2.gz TUYVVIUFTYLKNC-QKPAOTATSA-N 1 2 334.847 3.201 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001039441708 1345068150 /nfs/dbraw/zinc/06/81/50/1345068150.db2.gz TUYVVIUFTYLKNC-QKPAOTATSA-N 1 2 334.847 3.201 20 30 EGEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(Cl)cc1 ZINC001039531611 1345132373 /nfs/dbraw/zinc/13/23/73/1345132373.db2.gz RVUMBVGVTPCKHJ-XYPHTWIQSA-N 1 2 331.847 3.065 20 30 EGEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)cc1 ZINC001039531611 1345132376 /nfs/dbraw/zinc/13/23/76/1345132376.db2.gz RVUMBVGVTPCKHJ-XYPHTWIQSA-N 1 2 331.847 3.065 20 30 EGEDLO Cc1ccsc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001079359050 1357230309 /nfs/dbraw/zinc/23/03/09/1357230309.db2.gz HVCBCXQAMKGVQF-RHSMWYFYSA-N 1 2 339.464 3.179 20 30 EGEDLO Cc1ccsc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001079359050 1357230312 /nfs/dbraw/zinc/23/03/12/1357230312.db2.gz HVCBCXQAMKGVQF-RHSMWYFYSA-N 1 2 339.464 3.179 20 30 EGEDLO C[C@H]1C[C@@H]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001039895400 1345238515 /nfs/dbraw/zinc/23/85/15/1345238515.db2.gz OQIVHJGGCSLJCD-FYZZASKESA-N 1 2 336.479 3.150 20 30 EGEDLO C[C@H]1C[C@@H]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001039895400 1345238518 /nfs/dbraw/zinc/23/85/18/1345238518.db2.gz OQIVHJGGCSLJCD-FYZZASKESA-N 1 2 336.479 3.150 20 30 EGEDLO C=CC[N@H+]1CCC[C@]2(CCN(C(=O)c3c(Cl)[nH]nc3C3CC3)C2)C1 ZINC001040235979 1345389598 /nfs/dbraw/zinc/38/95/98/1345389598.db2.gz IVFCOCITJFULJX-SFHVURJKSA-N 1 2 348.878 3.055 20 30 EGEDLO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)c3c(Cl)[nH]nc3C3CC3)C2)C1 ZINC001040235979 1345389603 /nfs/dbraw/zinc/38/96/03/1345389603.db2.gz IVFCOCITJFULJX-SFHVURJKSA-N 1 2 348.878 3.055 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cscn1)C2 ZINC001040332259 1345437349 /nfs/dbraw/zinc/43/73/49/1345437349.db2.gz OKASKEVYTOTAKD-SFHVURJKSA-N 1 2 333.501 3.170 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cscn1)C2 ZINC001040332259 1345437352 /nfs/dbraw/zinc/43/73/52/1345437352.db2.gz OKASKEVYTOTAKD-SFHVURJKSA-N 1 2 333.501 3.170 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[C@@H](Nc3cc[nH+]c(C)n3)C23CCC3)CC1 ZINC001041613153 1345794510 /nfs/dbraw/zinc/79/45/10/1345794510.db2.gz UZTXRDNJKHIHKK-IAGOWNOFSA-N 1 2 340.471 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3sc(C)nc3C)C[C@H]21 ZINC001042346703 1346048174 /nfs/dbraw/zinc/04/81/74/1346048174.db2.gz VNOPOWOBLCKEHK-ZIAGYGMSSA-N 1 2 339.892 3.049 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3sc(C)nc3C)C[C@H]21 ZINC001042346703 1346048175 /nfs/dbraw/zinc/04/81/75/1346048175.db2.gz VNOPOWOBLCKEHK-ZIAGYGMSSA-N 1 2 339.892 3.049 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3sc(C)nc3C)C[C@H]21 ZINC001042346702 1346048500 /nfs/dbraw/zinc/04/85/00/1346048500.db2.gz VNOPOWOBLCKEHK-UONOGXRCSA-N 1 2 339.892 3.049 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3sc(C)nc3C)C[C@H]21 ZINC001042346702 1346048503 /nfs/dbraw/zinc/04/85/03/1346048503.db2.gz VNOPOWOBLCKEHK-UONOGXRCSA-N 1 2 339.892 3.049 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](CCO[C@H]3CCCC[C@H]3C)C2)C1 ZINC001043794137 1346209920 /nfs/dbraw/zinc/20/99/20/1346209920.db2.gz FFCCZXPHEADNND-AEFFLSMTSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[NH2+]Cc1nc(C(C)(C)C)no1 ZINC001045148932 1346506287 /nfs/dbraw/zinc/50/62/87/1346506287.db2.gz KCTCMDPLBRFFAB-AWEZNQCLSA-N 1 2 348.491 3.050 20 30 EGEDLO CC(C)(F)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1C#N ZINC001045695949 1346669384 /nfs/dbraw/zinc/66/93/84/1346669384.db2.gz CDEXUMSGTGTGIA-SJORKVTESA-N 1 2 347.409 3.011 20 30 EGEDLO CC(C)(F)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1C#N ZINC001045695949 1346669386 /nfs/dbraw/zinc/66/93/86/1346669386.db2.gz CDEXUMSGTGTGIA-SJORKVTESA-N 1 2 347.409 3.011 20 30 EGEDLO C[C@@]1(NC(=O)c2cccs2)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046116424 1346853935 /nfs/dbraw/zinc/85/39/35/1346853935.db2.gz XDOCCCFZIVLHPM-GOSISDBHSA-N 1 2 343.427 3.153 20 30 EGEDLO C[C@@]1(NC(=O)c2cccs2)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046116424 1346853936 /nfs/dbraw/zinc/85/39/36/1346853936.db2.gz XDOCCCFZIVLHPM-GOSISDBHSA-N 1 2 343.427 3.153 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc3nccc(C)c3c2)C1 ZINC001046345755 1346944264 /nfs/dbraw/zinc/94/42/64/1346944264.db2.gz SCLXEVRDNGIRNF-LJQANCHMSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3nccc(C)c3c2)C1 ZINC001046345755 1346944267 /nfs/dbraw/zinc/94/42/67/1346944267.db2.gz SCLXEVRDNGIRNF-LJQANCHMSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(Cl)ccc2F)C1 ZINC001046466151 1346984484 /nfs/dbraw/zinc/98/44/84/1346984484.db2.gz CFHFDYNUMJQNRO-OAHLLOKOSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(Cl)ccc2F)C1 ZINC001046466151 1346984485 /nfs/dbraw/zinc/98/44/85/1346984485.db2.gz CFHFDYNUMJQNRO-OAHLLOKOSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001046583802 1347026559 /nfs/dbraw/zinc/02/65/59/1347026559.db2.gz ULZZONHRSXGGQK-OAHLLOKOSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001046583802 1347026560 /nfs/dbraw/zinc/02/65/60/1347026560.db2.gz ULZZONHRSXGGQK-OAHLLOKOSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C1CCC(C(=O)N[C@]2(C)CC[N@@H+]([C@H](C)c3nnc(CC)o3)C2)CC1 ZINC001046594015 1347030513 /nfs/dbraw/zinc/03/05/13/1347030513.db2.gz CLEHBBJFDDJMHV-AUUYWEPGSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CCC(C(=O)N[C@]2(C)CC[N@H+]([C@H](C)c3nnc(CC)o3)C2)CC1 ZINC001046594015 1347030515 /nfs/dbraw/zinc/03/05/15/1347030515.db2.gz CLEHBBJFDDJMHV-AUUYWEPGSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001046631278 1347042676 /nfs/dbraw/zinc/04/26/76/1347042676.db2.gz DPDWKKYDGRTKGP-GOSISDBHSA-N 1 2 333.863 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001046631278 1347042678 /nfs/dbraw/zinc/04/26/78/1347042678.db2.gz DPDWKKYDGRTKGP-GOSISDBHSA-N 1 2 333.863 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2oc(C(C)C)nc2C)C1 ZINC001046688480 1347062938 /nfs/dbraw/zinc/06/29/38/1347062938.db2.gz VSRALRAPMZRZST-INIZCTEOSA-N 1 2 325.840 3.053 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2oc(C(C)C)nc2C)C1 ZINC001046688480 1347062939 /nfs/dbraw/zinc/06/29/39/1347062939.db2.gz VSRALRAPMZRZST-INIZCTEOSA-N 1 2 325.840 3.053 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC23CCC3)C1 ZINC001046979719 1347175053 /nfs/dbraw/zinc/17/50/53/1347175053.db2.gz FMEYFDMHOANFHL-CHWSQXEVSA-N 1 2 332.822 3.003 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC23CCC3)C1 ZINC001046979719 1347175054 /nfs/dbraw/zinc/17/50/54/1347175054.db2.gz FMEYFDMHOANFHL-CHWSQXEVSA-N 1 2 332.822 3.003 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1scnc1CC ZINC001049510349 1347885298 /nfs/dbraw/zinc/88/52/98/1347885298.db2.gz FOTSZPOXWREJKQ-KBPBESRZSA-N 1 2 339.892 3.137 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1scnc1CC ZINC001049510349 1347885302 /nfs/dbraw/zinc/88/53/02/1347885302.db2.gz FOTSZPOXWREJKQ-KBPBESRZSA-N 1 2 339.892 3.137 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1occ2c1CCC2 ZINC001049617725 1347936757 /nfs/dbraw/zinc/93/67/57/1347936757.db2.gz KXEOZOPHSNFPOA-JKSUJKDBSA-N 1 2 334.847 3.200 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1occ2c1CCC2 ZINC001049617725 1347936759 /nfs/dbraw/zinc/93/67/59/1347936759.db2.gz KXEOZOPHSNFPOA-JKSUJKDBSA-N 1 2 334.847 3.200 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ncc(C2CC2)o1 ZINC001049635848 1347946219 /nfs/dbraw/zinc/94/62/19/1347946219.db2.gz MMMVLXPDLKVBFG-CVEARBPZSA-N 1 2 343.471 3.330 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ncc(C2CC2)o1 ZINC001049635848 1347946221 /nfs/dbraw/zinc/94/62/21/1347946221.db2.gz MMMVLXPDLKVBFG-CVEARBPZSA-N 1 2 343.471 3.330 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cc(C)on1 ZINC001049635459 1347946271 /nfs/dbraw/zinc/94/62/71/1347946271.db2.gz VCEWPAPXASXRBJ-DLBZAZTESA-N 1 2 331.460 3.151 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1cc(C)on1 ZINC001049635459 1347946274 /nfs/dbraw/zinc/94/62/74/1347946274.db2.gz VCEWPAPXASXRBJ-DLBZAZTESA-N 1 2 331.460 3.151 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ncc(C2CC2)o1 ZINC001049635850 1347946709 /nfs/dbraw/zinc/94/67/09/1347946709.db2.gz MMMVLXPDLKVBFG-HZPDHXFCSA-N 1 2 343.471 3.330 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ncc(C2CC2)o1 ZINC001049635850 1347946712 /nfs/dbraw/zinc/94/67/12/1347946712.db2.gz MMMVLXPDLKVBFG-HZPDHXFCSA-N 1 2 343.471 3.330 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ncc(CC)o1 ZINC001049637321 1347947137 /nfs/dbraw/zinc/94/71/37/1347947137.db2.gz XIIUFTFTXDZURH-HOTGVXAUSA-N 1 2 331.460 3.015 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ncc(CC)o1 ZINC001049637321 1347947139 /nfs/dbraw/zinc/94/71/39/1347947139.db2.gz XIIUFTFTXDZURH-HOTGVXAUSA-N 1 2 331.460 3.015 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cscn1 ZINC001049637580 1347947902 /nfs/dbraw/zinc/94/79/02/1347947902.db2.gz HPDHZVPHFJBMEZ-JKSUJKDBSA-N 1 2 333.501 3.311 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1cscn1 ZINC001049637580 1347947903 /nfs/dbraw/zinc/94/79/03/1347947903.db2.gz HPDHZVPHFJBMEZ-JKSUJKDBSA-N 1 2 333.501 3.311 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1csc(CC)n1 ZINC001049638934 1347948521 /nfs/dbraw/zinc/94/85/21/1347948521.db2.gz NIIKODZXTGIAAM-JKSUJKDBSA-N 1 2 347.528 3.483 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1csc(CC)n1 ZINC001049638934 1347948523 /nfs/dbraw/zinc/94/85/23/1347948523.db2.gz NIIKODZXTGIAAM-JKSUJKDBSA-N 1 2 347.528 3.483 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cnoc1C(C)C ZINC001049821363 1348038472 /nfs/dbraw/zinc/03/84/72/1348038472.db2.gz WXHNMIKKWNJQDZ-CABCVRRESA-N 1 2 337.851 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cnoc1C(C)C ZINC001049821363 1348038476 /nfs/dbraw/zinc/03/84/76/1348038476.db2.gz WXHNMIKKWNJQDZ-CABCVRRESA-N 1 2 337.851 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1scnc1Cl ZINC001049902586 1348102069 /nfs/dbraw/zinc/10/20/69/1348102069.db2.gz UHBIKDFPRXYBMP-WDEREUQCSA-N 1 2 346.283 3.228 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1scnc1Cl ZINC001049902586 1348102072 /nfs/dbraw/zinc/10/20/72/1348102072.db2.gz UHBIKDFPRXYBMP-WDEREUQCSA-N 1 2 346.283 3.228 20 30 EGEDLO CC[C@@H](C)C(=O)N1CCC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001049979895 1348143538 /nfs/dbraw/zinc/14/35/38/1348143538.db2.gz VNUAXCXKUQUJFO-SIXWZSSISA-N 1 2 343.446 3.166 20 30 EGEDLO CC[C@@H](C)C(=O)N1CCC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001049979895 1348143539 /nfs/dbraw/zinc/14/35/39/1348143539.db2.gz VNUAXCXKUQUJFO-SIXWZSSISA-N 1 2 343.446 3.166 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[NH+]([C@@H](C)c1csnn1)CC2 ZINC001050651914 1348317486 /nfs/dbraw/zinc/31/74/86/1348317486.db2.gz WWSPRMRIDIREEN-WMLDXEAASA-N 1 2 348.516 3.126 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1sccc1C(F)F ZINC001051228130 1348406596 /nfs/dbraw/zinc/40/65/96/1348406596.db2.gz ARGGGIAIRVQAFX-GFCCVEGCSA-N 1 2 344.427 3.083 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1sccc1C(F)F ZINC001051228130 1348406599 /nfs/dbraw/zinc/40/65/99/1348406599.db2.gz ARGGGIAIRVQAFX-GFCCVEGCSA-N 1 2 344.427 3.083 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCOC2(C[NH+]([C@@H](C)c3cccc(C)c3)C2)C1 ZINC001053374645 1349014931 /nfs/dbraw/zinc/01/49/31/1349014931.db2.gz IMNQSVJOOZLHFK-KRWDZBQOSA-N 1 2 342.483 3.181 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc3cscc3s1)O2 ZINC001053629435 1349081254 /nfs/dbraw/zinc/08/12/54/1349081254.db2.gz PSJYFYFBBXXJNY-ZDUSSCGKSA-N 1 2 348.493 3.112 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C1CC(C)(C)CC(C)(C)C1)O2 ZINC001053638955 1349082877 /nfs/dbraw/zinc/08/28/77/1349082877.db2.gz DVQWVKZFRPRAGH-QGZVFWFLSA-N 1 2 348.531 3.375 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc3occc3s1)O2 ZINC001053659069 1349088179 /nfs/dbraw/zinc/08/81/79/1349088179.db2.gz KWDDTPRCLHDVHL-ZDUSSCGKSA-N 1 2 346.452 3.034 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(CC(C)C)s1)CO2 ZINC001053831593 1349112846 /nfs/dbraw/zinc/11/28/46/1349112846.db2.gz KHYNODXLXUPZRM-HNNXBMFYSA-N 1 2 348.512 3.096 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc(F)c(C)cc3F)cc2C1 ZINC001054269415 1349268163 /nfs/dbraw/zinc/26/81/63/1349268163.db2.gz ZRXXUTRDKAONNQ-UHFFFAOYSA-N 1 2 340.373 3.152 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc(F)c(C)cc3F)cc2C1 ZINC001054269415 1349268171 /nfs/dbraw/zinc/26/81/71/1349268171.db2.gz ZRXXUTRDKAONNQ-UHFFFAOYSA-N 1 2 340.373 3.152 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccsc3Cl)cc2C1 ZINC001054284567 1349286044 /nfs/dbraw/zinc/28/60/44/1349286044.db2.gz XZGVXPLMIGIOMA-UHFFFAOYSA-N 1 2 330.840 3.280 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccsc3Cl)cc2C1 ZINC001054284567 1349286049 /nfs/dbraw/zinc/28/60/49/1349286049.db2.gz XZGVXPLMIGIOMA-UHFFFAOYSA-N 1 2 330.840 3.280 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc(F)c4occc43)cc2C1 ZINC001054292379 1349298358 /nfs/dbraw/zinc/29/83/58/1349298358.db2.gz CHHKNRFSZURYHA-UHFFFAOYSA-N 1 2 348.377 3.451 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc(F)c4occc43)cc2C1 ZINC001054292379 1349298360 /nfs/dbraw/zinc/29/83/60/1349298360.db2.gz CHHKNRFSZURYHA-UHFFFAOYSA-N 1 2 348.377 3.451 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC23CCN(c2cc[nH+]c(C)n2)CC3)CC1 ZINC001058647205 1350275354 /nfs/dbraw/zinc/27/53/54/1350275354.db2.gz MDQUEKMCKINQNN-QGZVFWFLSA-N 1 2 340.471 3.007 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001080277267 1357548496 /nfs/dbraw/zinc/54/84/96/1357548496.db2.gz LFAVDQGZNPYOIV-KWCYVHTRSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001080277267 1357548497 /nfs/dbraw/zinc/54/84/97/1357548497.db2.gz LFAVDQGZNPYOIV-KWCYVHTRSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@H](CNc3cc(C)[nH+]c(C4CC4)n3)C2)C1 ZINC001060983149 1351205005 /nfs/dbraw/zinc/20/50/05/1351205005.db2.gz CYGUFRGYZPUEEU-OAHLLOKOSA-N 1 2 340.471 3.279 20 30 EGEDLO Cc1cc(N[C@@H](C)C2CCN(C(=O)[C@H](C)C#N)CC2)nc(C(C)C)[nH+]1 ZINC001061827846 1351374081 /nfs/dbraw/zinc/37/40/81/1351374081.db2.gz WYJZWJQKWVMZGG-HIFRSBDPSA-N 1 2 343.475 3.107 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC([C@@H](C)Nc2cc[nH+]c(C)n2)CC1 ZINC001061878283 1351387428 /nfs/dbraw/zinc/38/74/28/1351387428.db2.gz LTWRRRASZSSDMW-KUHUBIRLSA-N 1 2 330.476 3.426 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC([C@H](C)Nc2cc[nH+]c(C)n2)CC1 ZINC001061878282 1351387525 /nfs/dbraw/zinc/38/75/25/1351387525.db2.gz LTWRRRASZSSDMW-IFXJQAMLSA-N 1 2 330.476 3.426 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@@H](Nc3cc[nH+]c(C)n3)C[C@@H]2C)CC1 ZINC001064822769 1352702103 /nfs/dbraw/zinc/70/21/03/1352702103.db2.gz JFTVPOJQLIFICR-WMLDXEAASA-N 1 2 328.460 3.323 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)c2ccccc2F)C1 ZINC001080622109 1357702990 /nfs/dbraw/zinc/70/29/90/1357702990.db2.gz GCDWKBPCMRPYPL-MLGOLLRUSA-N 1 2 338.854 3.292 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)c2ccccc2F)C1 ZINC001080622109 1357702991 /nfs/dbraw/zinc/70/29/91/1357702991.db2.gz GCDWKBPCMRPYPL-MLGOLLRUSA-N 1 2 338.854 3.292 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@H](CNc3cc[nH+]c(C)n3)C[C@@H]2C)CC1 ZINC001068369226 1353707034 /nfs/dbraw/zinc/70/70/34/1353707034.db2.gz GSZUJVGDMLESSU-HOCLYGCPSA-N 1 2 328.460 3.180 20 30 EGEDLO N#C[C@H](CC(=O)NCCn1cc[nH+]c1)c1c(Cl)cccc1Cl ZINC001183092311 1387261090 /nfs/dbraw/zinc/26/10/90/1387261090.db2.gz XFTFEURLJIYQPE-NSHDSACASA-N 1 2 337.210 3.004 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccccc1C)C[C@@H](C)O2 ZINC001071129767 1354468972 /nfs/dbraw/zinc/46/89/72/1354468972.db2.gz QXJOAFQIDDURAR-APWZRJJASA-N 1 2 348.874 3.053 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccccc1C)C[C@@H](C)O2 ZINC001071129767 1354468974 /nfs/dbraw/zinc/46/89/74/1354468974.db2.gz QXJOAFQIDDURAR-APWZRJJASA-N 1 2 348.874 3.053 20 30 EGEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2cc(F)ccc2s1 ZINC001085966794 1358923984 /nfs/dbraw/zinc/92/39/84/1358923984.db2.gz SSBOPVFTSDZQEP-HNNXBMFYSA-N 1 2 330.428 3.210 20 30 EGEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2cc(F)ccc2s1 ZINC001085966794 1358923990 /nfs/dbraw/zinc/92/39/90/1358923990.db2.gz SSBOPVFTSDZQEP-HNNXBMFYSA-N 1 2 330.428 3.210 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)c2ccco2)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001071312519 1354571931 /nfs/dbraw/zinc/57/19/31/1354571931.db2.gz LSLJMEATHMQJDS-BBRMVZONSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)c2ccco2)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001071312519 1354571935 /nfs/dbraw/zinc/57/19/35/1354571935.db2.gz LSLJMEATHMQJDS-BBRMVZONSA-N 1 2 341.386 3.073 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)CC2CCC2)CC[C@@H]1C ZINC001071398832 1354661250 /nfs/dbraw/zinc/66/12/50/1354661250.db2.gz KFLQLHQXZCGPKD-GXTWGEPZSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)CC2CCC2)CC[C@@H]1C ZINC001071398832 1354661255 /nfs/dbraw/zinc/66/12/55/1354661255.db2.gz KFLQLHQXZCGPKD-GXTWGEPZSA-N 1 2 329.282 3.054 20 30 EGEDLO Cc1cccnc1C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001071416446 1354680866 /nfs/dbraw/zinc/68/08/66/1354680866.db2.gz JFSXOCGMJFJZJM-VQIMIIECSA-N 1 2 348.450 3.045 20 30 EGEDLO Cc1cccnc1C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001071416446 1354680871 /nfs/dbraw/zinc/68/08/71/1354680871.db2.gz JFSXOCGMJFJZJM-VQIMIIECSA-N 1 2 348.450 3.045 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc(F)c(F)c2)CC[C@@H]1C ZINC001071569011 1354770057 /nfs/dbraw/zinc/77/00/57/1354770057.db2.gz VHFNORHZPVPGNW-AAEUAGOBSA-N 1 2 328.790 3.300 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc(F)c(F)c2)CC[C@@H]1C ZINC001071569011 1354770058 /nfs/dbraw/zinc/77/00/58/1354770058.db2.gz VHFNORHZPVPGNW-AAEUAGOBSA-N 1 2 328.790 3.300 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2c3c[nH]nc3ccc2C)CC[C@@H]1C ZINC001071625565 1354809337 /nfs/dbraw/zinc/80/93/37/1354809337.db2.gz POYKESULTBGSFD-UONOGXRCSA-N 1 2 346.862 3.207 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2c3c[nH]nc3ccc2C)CC[C@@H]1C ZINC001071625565 1354809342 /nfs/dbraw/zinc/80/93/42/1354809342.db2.gz POYKESULTBGSFD-UONOGXRCSA-N 1 2 346.862 3.207 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2nccc3occc32)CC[C@H]1C ZINC001071702128 1354862267 /nfs/dbraw/zinc/86/22/67/1354862267.db2.gz UMKWSTJLUQWXBD-OLZOCXBDSA-N 1 2 333.819 3.163 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2nccc3occc32)CC[C@H]1C ZINC001071702128 1354862274 /nfs/dbraw/zinc/86/22/74/1354862274.db2.gz UMKWSTJLUQWXBD-OLZOCXBDSA-N 1 2 333.819 3.163 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C2(C)CCC2)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC001071741309 1354891633 /nfs/dbraw/zinc/89/16/33/1354891633.db2.gz FWABGRAHSLHWBZ-YOEHRIQHSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C2(C)CCC2)C[N@H+]1Cc1cc(C#N)ccc1F ZINC001071741309 1354891636 /nfs/dbraw/zinc/89/16/36/1354891636.db2.gz FWABGRAHSLHWBZ-YOEHRIQHSA-N 1 2 343.446 3.357 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3ccc(F)cn3)C2)CC1 ZINC001071795003 1354940509 /nfs/dbraw/zinc/94/05/09/1354940509.db2.gz HFYNRBBUWPQQFM-BEFAXECRSA-N 1 2 345.462 3.436 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3ccc(F)cn3)C2)CC1 ZINC001071795003 1354940514 /nfs/dbraw/zinc/94/05/14/1354940514.db2.gz HFYNRBBUWPQQFM-BEFAXECRSA-N 1 2 345.462 3.436 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3ccc(F)cn3)C2)C1 ZINC001071806448 1354949530 /nfs/dbraw/zinc/94/95/30/1354949530.db2.gz CEWHBYFQYRBVAG-RHSMWYFYSA-N 1 2 331.435 3.046 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3ccc(F)cn3)C2)C1 ZINC001071806448 1354949532 /nfs/dbraw/zinc/94/95/32/1354949532.db2.gz CEWHBYFQYRBVAG-RHSMWYFYSA-N 1 2 331.435 3.046 20 30 EGEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnc(-c3ccco3)s2)CC[C@@H]1C ZINC001072011835 1355075685 /nfs/dbraw/zinc/07/56/85/1355075685.db2.gz DJQHSCLPXTUNRX-KBPBESRZSA-N 1 2 343.452 3.009 20 30 EGEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnc(-c3ccco3)s2)CC[C@@H]1C ZINC001072011835 1355075689 /nfs/dbraw/zinc/07/56/89/1355075689.db2.gz DJQHSCLPXTUNRX-KBPBESRZSA-N 1 2 343.452 3.009 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cn2ccc3ccccc32)CC[C@@H]1C ZINC001072087613 1355120753 /nfs/dbraw/zinc/12/07/53/1355120753.db2.gz ALIHVPFIYRSQBF-DOTOQJQBSA-N 1 2 345.874 3.363 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cn2ccc3ccccc32)CC[C@@H]1C ZINC001072087613 1355120755 /nfs/dbraw/zinc/12/07/55/1355120755.db2.gz ALIHVPFIYRSQBF-DOTOQJQBSA-N 1 2 345.874 3.363 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2csc(C3CC3)n2)CC[C@H]1C ZINC001072112644 1355138057 /nfs/dbraw/zinc/13/80/57/1355138057.db2.gz DBCAPHFXPLSDKM-DGCLKSJQSA-N 1 2 339.892 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2csc(C3CC3)n2)CC[C@H]1C ZINC001072112644 1355138060 /nfs/dbraw/zinc/13/80/60/1355138060.db2.gz DBCAPHFXPLSDKM-DGCLKSJQSA-N 1 2 339.892 3.356 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)C[C@H]21 ZINC001074370581 1356187869 /nfs/dbraw/zinc/18/78/69/1356187869.db2.gz CHVSCQVQIPDUBE-UAFMIMERSA-N 1 2 348.531 3.327 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)C[C@H]21 ZINC001074370581 1356187872 /nfs/dbraw/zinc/18/78/72/1356187872.db2.gz CHVSCQVQIPDUBE-UAFMIMERSA-N 1 2 348.531 3.327 20 30 EGEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C)c(CC)s3)C[C@@H]21 ZINC001074399548 1356194874 /nfs/dbraw/zinc/19/48/74/1356194874.db2.gz GQRDGHPIPTYGSH-JKSUJKDBSA-N 1 2 348.512 3.110 20 30 EGEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C)c(CC)s3)C[C@@H]21 ZINC001074399548 1356194876 /nfs/dbraw/zinc/19/48/76/1356194876.db2.gz GQRDGHPIPTYGSH-JKSUJKDBSA-N 1 2 348.512 3.110 20 30 EGEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(C)C)s3)C[C@H]21 ZINC001074415052 1356196250 /nfs/dbraw/zinc/19/62/50/1356196250.db2.gz JSTBYZNVOHMBLQ-CVEARBPZSA-N 1 2 348.512 3.363 20 30 EGEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(C)C)s3)C[C@H]21 ZINC001074415052 1356196253 /nfs/dbraw/zinc/19/62/53/1356196253.db2.gz JSTBYZNVOHMBLQ-CVEARBPZSA-N 1 2 348.512 3.363 20 30 EGEDLO O=C(CC1CC1)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075483133 1356404148 /nfs/dbraw/zinc/40/41/48/1356404148.db2.gz BZWOWMSSXMEXAL-PKOBYXMFSA-N 1 2 342.870 3.024 20 30 EGEDLO O=C(CC1CC1)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075483133 1356404152 /nfs/dbraw/zinc/40/41/52/1356404152.db2.gz BZWOWMSSXMEXAL-PKOBYXMFSA-N 1 2 342.870 3.024 20 30 EGEDLO CC(C)=CC(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075515092 1356416484 /nfs/dbraw/zinc/41/64/84/1356416484.db2.gz XUZHNKOHDUJMSD-PKOBYXMFSA-N 1 2 342.870 3.190 20 30 EGEDLO CC(C)=CC(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075515092 1356416487 /nfs/dbraw/zinc/41/64/87/1356416487.db2.gz XUZHNKOHDUJMSD-PKOBYXMFSA-N 1 2 342.870 3.190 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001098567477 1363380137 /nfs/dbraw/zinc/38/01/37/1363380137.db2.gz CEKQKCLNHKLSEW-MRXNPFEDSA-N 1 2 340.471 3.116 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C4CCCC4)no3)[C@@H]2C1 ZINC001076587866 1356624677 /nfs/dbraw/zinc/62/46/77/1356624677.db2.gz VCDOJQFOMAYPHD-GOEBONIOSA-N 1 2 349.862 3.231 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C4CCCC4)no3)[C@@H]2C1 ZINC001076587866 1356624680 /nfs/dbraw/zinc/62/46/80/1356624680.db2.gz VCDOJQFOMAYPHD-GOEBONIOSA-N 1 2 349.862 3.231 20 30 EGEDLO C#CCCCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ncc(C)o1 ZINC001099029001 1363584712 /nfs/dbraw/zinc/58/47/12/1363584712.db2.gz PGFGOOJEKBKKNE-QGZVFWFLSA-N 1 2 345.487 3.283 20 30 EGEDLO C#CCCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ncc(C)o1 ZINC001099029001 1363584714 /nfs/dbraw/zinc/58/47/14/1363584714.db2.gz PGFGOOJEKBKKNE-QGZVFWFLSA-N 1 2 345.487 3.283 20 30 EGEDLO CC1(C)CC(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001084321558 1358192510 /nfs/dbraw/zinc/19/25/10/1358192510.db2.gz ZRQTWXLJZCSOBO-IEBWSBKVSA-N 1 2 337.467 3.027 20 30 EGEDLO CC1(C)CC(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001084321558 1358192513 /nfs/dbraw/zinc/19/25/13/1358192513.db2.gz ZRQTWXLJZCSOBO-IEBWSBKVSA-N 1 2 337.467 3.027 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](Cc3ccncc3Cl)C[C@H]21 ZINC001084630862 1358260842 /nfs/dbraw/zinc/26/08/42/1358260842.db2.gz XWDGGWLRALBXKP-SUMDDJOVSA-N 1 2 347.890 3.370 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccncc3Cl)C[C@H]21 ZINC001084630862 1358260846 /nfs/dbraw/zinc/26/08/46/1358260846.db2.gz XWDGGWLRALBXKP-SUMDDJOVSA-N 1 2 347.890 3.370 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cncc4ccccc43)[C@@H]2C1 ZINC001084848055 1358327734 /nfs/dbraw/zinc/32/77/34/1358327734.db2.gz WSCVXDOETWWEKD-CRAIPNDOSA-N 1 2 341.842 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cncc4ccccc43)[C@@H]2C1 ZINC001084848055 1358327735 /nfs/dbraw/zinc/32/77/35/1358327735.db2.gz WSCVXDOETWWEKD-CRAIPNDOSA-N 1 2 341.842 3.134 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1)C(=O)c1ccc(Cl)o1 ZINC001085488098 1358541882 /nfs/dbraw/zinc/54/18/82/1358541882.db2.gz QWLLPVSHCZJXNT-OAHLLOKOSA-N 1 2 343.814 3.151 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1cccc(C#N)c1)C(=O)c1ccc(Cl)o1 ZINC001085488098 1358541885 /nfs/dbraw/zinc/54/18/85/1358541885.db2.gz QWLLPVSHCZJXNT-OAHLLOKOSA-N 1 2 343.814 3.151 20 30 EGEDLO Cc1cscc1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001085535420 1358572383 /nfs/dbraw/zinc/57/23/83/1358572383.db2.gz IWMKNOKEXZFBIY-CYBMUJFWSA-N 1 2 345.493 3.336 20 30 EGEDLO Cc1cscc1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001085535420 1358572386 /nfs/dbraw/zinc/57/23/86/1358572386.db2.gz IWMKNOKEXZFBIY-CYBMUJFWSA-N 1 2 345.493 3.336 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)c1[nH]ccc1C1CC1 ZINC001085635955 1358650618 /nfs/dbraw/zinc/65/06/18/1358650618.db2.gz FLJXZNIVKJHHON-IBGZPJMESA-N 1 2 347.462 3.090 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)c1[nH]ccc1C1CC1 ZINC001085635955 1358650621 /nfs/dbraw/zinc/65/06/21/1358650621.db2.gz FLJXZNIVKJHHON-IBGZPJMESA-N 1 2 347.462 3.090 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)C12CCC(CC1)C2 ZINC001085674909 1358678065 /nfs/dbraw/zinc/67/80/65/1358678065.db2.gz GUAAJTUDLSTYFF-IPFXWSOASA-N 1 2 337.467 3.171 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)C12CCC(CC1)C2 ZINC001085674909 1358678069 /nfs/dbraw/zinc/67/80/69/1358678069.db2.gz GUAAJTUDLSTYFF-IPFXWSOASA-N 1 2 337.467 3.171 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)C2CCC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001087481865 1359485691 /nfs/dbraw/zinc/48/56/91/1359485691.db2.gz IFYHKRYIJQIOEJ-RBUKOAKNSA-N 1 2 344.886 3.461 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)C2CCC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001087481865 1359485696 /nfs/dbraw/zinc/48/56/96/1359485696.db2.gz IFYHKRYIJQIOEJ-RBUKOAKNSA-N 1 2 344.886 3.461 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC=CCC2)[C@H]1CC ZINC001087500293 1359498659 /nfs/dbraw/zinc/49/86/59/1359498659.db2.gz HKIBZBABIAKCEK-QLFBSQMISA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC=CCC2)[C@H]1CC ZINC001087500293 1359498661 /nfs/dbraw/zinc/49/86/61/1359498661.db2.gz HKIBZBABIAKCEK-QLFBSQMISA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(C)noc2C2CC2)[C@H]1CC ZINC001087661362 1359577816 /nfs/dbraw/zinc/57/78/16/1359577816.db2.gz GDFYSZFRMWKFJU-UONOGXRCSA-N 1 2 337.851 3.196 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(C)noc2C2CC2)[C@H]1CC ZINC001087661362 1359577818 /nfs/dbraw/zinc/57/78/18/1359577818.db2.gz GDFYSZFRMWKFJU-UONOGXRCSA-N 1 2 337.851 3.196 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(F)c(F)c2F)[C@H]1CC ZINC001087706656 1359600783 /nfs/dbraw/zinc/60/07/83/1359600783.db2.gz DWTQXGLAHVDDPS-QWHCGFSZSA-N 1 2 346.780 3.439 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)c(F)c2F)[C@H]1CC ZINC001087706656 1359600785 /nfs/dbraw/zinc/60/07/85/1359600785.db2.gz DWTQXGLAHVDDPS-QWHCGFSZSA-N 1 2 346.780 3.439 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnoc2C(C)C)[C@H]1CC ZINC001087781857 1359641165 /nfs/dbraw/zinc/64/11/65/1359641165.db2.gz JKKRPGCLDUWLTG-UONOGXRCSA-N 1 2 325.840 3.133 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnoc2C(C)C)[C@H]1CC ZINC001087781857 1359641167 /nfs/dbraw/zinc/64/11/67/1359641167.db2.gz JKKRPGCLDUWLTG-UONOGXRCSA-N 1 2 325.840 3.133 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2COc3cc(C)c(C)cc32)[C@H]1C ZINC001088772432 1360038044 /nfs/dbraw/zinc/03/80/44/1360038044.db2.gz ZXNDTRRDOXATEL-PVAVHDDUSA-N 1 2 348.874 3.111 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2COc3cc(C)c(C)cc32)[C@H]1C ZINC001088772432 1360038047 /nfs/dbraw/zinc/03/80/47/1360038047.db2.gz ZXNDTRRDOXATEL-PVAVHDDUSA-N 1 2 348.874 3.111 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)[C@H]1C ZINC001088840695 1360075033 /nfs/dbraw/zinc/07/50/33/1360075033.db2.gz RZAKBXIXPLTSTI-RDBSUJKOSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)[C@H]1C ZINC001088840695 1360075024 /nfs/dbraw/zinc/07/50/24/1360075024.db2.gz RZAKBXIXPLTSTI-RDBSUJKOSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnc(-c3ccccc3)[nH]2)[C@H]1C ZINC001088888329 1360094014 /nfs/dbraw/zinc/09/40/14/1360094014.db2.gz KFVFPVSQTAQVOH-HIFRSBDPSA-N 1 2 344.846 3.022 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnc(-c3ccccc3)[nH]2)[C@H]1C ZINC001088888329 1360094026 /nfs/dbraw/zinc/09/40/26/1360094026.db2.gz KFVFPVSQTAQVOH-HIFRSBDPSA-N 1 2 344.846 3.022 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[C@H](C)N(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001089128806 1360190881 /nfs/dbraw/zinc/19/08/81/1360190881.db2.gz HEEIDOHKEVZACL-HOCLYGCPSA-N 1 2 328.460 3.102 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)N(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001089135710 1360194473 /nfs/dbraw/zinc/19/44/73/1360194473.db2.gz QKFROTQEPUYLLN-IAGOWNOFSA-N 1 2 342.487 3.185 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089163054 1360220161 /nfs/dbraw/zinc/22/01/61/1360220161.db2.gz XDPDJUGEMPXBBV-CXAGYDPISA-N 1 2 330.476 3.232 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@H](C)[C@H](CNc3cc[nH+]c(C)n3)C2)CC1 ZINC001089184357 1360234532 /nfs/dbraw/zinc/23/45/32/1360234532.db2.gz ABUYKILPZYLIPW-DOTOQJQBSA-N 1 2 342.487 3.428 20 30 EGEDLO C=CCCOCC(=O)N[C@@H](C)C[C@@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001089341959 1360354995 /nfs/dbraw/zinc/35/49/95/1360354995.db2.gz JECSFLHUUVJQJQ-CABCVRRESA-N 1 2 348.491 3.196 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](C)N(CC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001089623698 1360541660 /nfs/dbraw/zinc/54/16/60/1360541660.db2.gz VCZYBZWTOBSMLY-QGZVFWFLSA-N 1 2 344.503 3.433 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1conc1CC ZINC001089691438 1360596855 /nfs/dbraw/zinc/59/68/55/1360596855.db2.gz PTDFEGWJYMPSMJ-CYBMUJFWSA-N 1 2 339.867 3.210 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1conc1CC ZINC001089691438 1360596858 /nfs/dbraw/zinc/59/68/58/1360596858.db2.gz PTDFEGWJYMPSMJ-CYBMUJFWSA-N 1 2 339.867 3.210 20 30 EGEDLO C=CCCC(=O)NCCC1(CNc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001089919954 1360745294 /nfs/dbraw/zinc/74/52/94/1360745294.db2.gz CYNXAZXPJSKVHZ-UHFFFAOYSA-N 1 2 342.487 3.328 20 30 EGEDLO C#CCCCCCC(=O)NCCC1(CNc2cc[nH+]c(C)n2)CC1 ZINC001089981297 1360778317 /nfs/dbraw/zinc/77/83/17/1360778317.db2.gz DAPGRVXVYKWANB-UHFFFAOYSA-N 1 2 328.460 3.067 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H](C)CCCCNc1cc[nH+]c(C)n1 ZINC001090123709 1360836873 /nfs/dbraw/zinc/83/68/73/1360836873.db2.gz PEUYRYACBWWATR-HNAYVOBHSA-N 1 2 348.491 3.101 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)N[C@H](C)CCCCNc1cc[nH+]c(C)n1 ZINC001090123708 1360837026 /nfs/dbraw/zinc/83/70/26/1360837026.db2.gz PEUYRYACBWWATR-DNVCBOLYSA-N 1 2 348.491 3.101 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001091004802 1360974941 /nfs/dbraw/zinc/97/49/41/1360974941.db2.gz WAJKOHLVECEVKF-RDTXWAMCSA-N 1 2 342.487 3.279 20 30 EGEDLO C=CCCCC(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001091018873 1360980141 /nfs/dbraw/zinc/98/01/41/1360980141.db2.gz SDOYIHITMAPAAF-CZUORRHYSA-N 1 2 328.460 3.278 20 30 EGEDLO C#CCC1(C(=O)NC[C@H]2C[C@@H](Nc3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001091353814 1361057145 /nfs/dbraw/zinc/05/71/45/1361057145.db2.gz HNNIGVJQSIWGOK-CALCHBBNSA-N 1 2 340.471 3.066 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@@H](C)[C@@H]1CCNc1cc[nH+]c(C)n1 ZINC001091658233 1361172842 /nfs/dbraw/zinc/17/28/42/1361172842.db2.gz MONGNKFYUASEMC-AEFFLSMTSA-N 1 2 342.487 3.408 20 30 EGEDLO C#CCCCC(=O)N1CCC[C@@H](C)[C@@H]1CCNc1cc[nH+]c(C)n1 ZINC001091659831 1361174632 /nfs/dbraw/zinc/17/46/32/1361174632.db2.gz ZRCXVXJNIZYKFO-WBVHZDCISA-N 1 2 328.460 3.018 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001092033835 1361277313 /nfs/dbraw/zinc/27/73/13/1361277313.db2.gz PHSPKPIXONCPMW-AEFFLSMTSA-N 1 2 342.487 3.069 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001092038603 1361278895 /nfs/dbraw/zinc/27/88/95/1361278895.db2.gz LRWJEPJATPMIDA-MJEQTWJJSA-N 1 2 330.476 3.088 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001092076191 1361290483 /nfs/dbraw/zinc/29/04/83/1361290483.db2.gz CZSHPGLZKXHDEX-RDJZCZTQSA-N 1 2 330.476 3.205 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001092881167 1361476774 /nfs/dbraw/zinc/47/67/74/1361476774.db2.gz BEMCMYXTDAXREH-IKGGRYGDSA-N 1 2 342.487 3.176 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001092900486 1361480963 /nfs/dbraw/zinc/48/09/63/1361480963.db2.gz MJTQCWPULUYPCC-IKGGRYGDSA-N 1 2 342.487 3.176 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(C(C)C)n1 ZINC001092907522 1361484184 /nfs/dbraw/zinc/48/41/84/1361484184.db2.gz FCKNNRPCYXMLIN-PMPSAXMXSA-N 1 2 342.487 3.347 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001093037938 1361513957 /nfs/dbraw/zinc/51/39/57/1361513957.db2.gz ZZWUAUSHQFSLOP-HZMVEIRTSA-N 1 2 342.487 3.176 20 30 EGEDLO C#CCCCCC(=O)NCC1(Nc2cc[nH+]c(C)n2)CCCCC1 ZINC001093389859 1361599213 /nfs/dbraw/zinc/59/92/13/1361599213.db2.gz KGBNQAVSJHAVTK-UHFFFAOYSA-N 1 2 328.460 3.210 20 30 EGEDLO C=C1CC(C)(C(=O)NCC2(Nc3cc[nH+]c(C)n3)CCCCC2)C1 ZINC001093410246 1361612827 /nfs/dbraw/zinc/61/28/27/1361612827.db2.gz DFWLDPPNLLDAOF-UHFFFAOYSA-N 1 2 328.460 3.372 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CCC(C)(C)C3)CC2)C1 ZINC001093570822 1361646265 /nfs/dbraw/zinc/64/62/65/1361646265.db2.gz HGGFCWRIYQPSIM-INIZCTEOSA-N 1 2 334.504 3.081 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cccc(C)c3Cl)CC2)C1 ZINC001093584334 1361648716 /nfs/dbraw/zinc/64/87/16/1361648716.db2.gz JKNFYVDBRILNBQ-UHFFFAOYSA-N 1 2 348.874 3.140 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3ccc(C4CC4)cc3)CC2)C1 ZINC001093598210 1361653173 /nfs/dbraw/zinc/65/31/73/1361653173.db2.gz BIACUKTWDUBFOK-UHFFFAOYSA-N 1 2 340.467 3.055 20 30 EGEDLO N#Cc1ccc(NC(=O)NCc2c[nH+]cn2Cc2ccccc2)cc1 ZINC001184782036 1387538184 /nfs/dbraw/zinc/53/81/84/1387538184.db2.gz ICPLCVWZAUOUND-UHFFFAOYSA-N 1 2 331.379 3.125 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001095147048 1362032113 /nfs/dbraw/zinc/03/21/13/1362032113.db2.gz MNCVFCKOKGXWFV-GOSISDBHSA-N 1 2 342.487 3.023 20 30 EGEDLO C#CCCCCC(=O)N1CCCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001095173023 1362041087 /nfs/dbraw/zinc/04/10/87/1362041087.db2.gz TWWBWGQZACDEQV-UHFFFAOYSA-N 1 2 342.487 3.141 20 30 EGEDLO C=CCC1(C(=O)NCC2CCN(c3cc[nH+]c(C)n3)CC2)CCCC1 ZINC001095359306 1362113241 /nfs/dbraw/zinc/11/32/41/1362113241.db2.gz HAIVMOXNOIVNLC-UHFFFAOYSA-N 1 2 342.487 3.254 20 30 EGEDLO CCc1occc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001095369871 1362117281 /nfs/dbraw/zinc/11/72/81/1362117281.db2.gz KEZJODWJYNWNHD-HOJAQTOUSA-N 1 2 348.446 3.229 20 30 EGEDLO CCc1occc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001095369871 1362117283 /nfs/dbraw/zinc/11/72/83/1362117283.db2.gz KEZJODWJYNWNHD-HOJAQTOUSA-N 1 2 348.446 3.229 20 30 EGEDLO C=C(C)CCC(=O)NC1CCN(c2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001095431537 1362138843 /nfs/dbraw/zinc/13/88/43/1362138843.db2.gz OYTQOXBAZFWXJI-UHFFFAOYSA-N 1 2 342.487 3.105 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095440404 1362141968 /nfs/dbraw/zinc/14/19/68/1362141968.db2.gz IVVVHOYXUKNVOH-AWEZNQCLSA-N 1 2 342.487 3.350 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C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC(C)(C)CO1)C2 ZINC001095781186 1362226967 /nfs/dbraw/zinc/22/69/67/1362226967.db2.gz OXTSQPJRZLTZPF-WCVJEAGWSA-N 1 2 340.895 3.056 20 30 EGEDLO CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)CCC1 ZINC001095876149 1362264465 /nfs/dbraw/zinc/26/44/65/1362264465.db2.gz BPQNFUKZSJTHIC-NJAFHUGGSA-N 1 2 341.430 3.109 20 30 EGEDLO CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)CCC1 ZINC001095876149 1362264469 /nfs/dbraw/zinc/26/44/69/1362264469.db2.gz BPQNFUKZSJTHIC-NJAFHUGGSA-N 1 2 341.430 3.109 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCCN(c1nc(C)[nH+]c(C)c1C)C1CC1 ZINC001096062851 1362359296 /nfs/dbraw/zinc/35/92/96/1362359296.db2.gz JELVOVSSUKNMOX-UHFFFAOYSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCCN(c1nc(C)[nH+]c(C)c1C)C1CC1 ZINC001096072247 1362367806 /nfs/dbraw/zinc/36/78/06/1362367806.db2.gz INRCCTVLCJDFHM-QGZVFWFLSA-N 1 2 344.503 3.479 20 30 EGEDLO C=CCCCC(=O)NCCCN(c1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001096074743 1362369951 /nfs/dbraw/zinc/36/99/51/1362369951.db2.gz SLSIVVZFNGKAID-UHFFFAOYSA-N 1 2 342.487 3.494 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(OCC)cc1)C2 ZINC001096460044 1362518590 /nfs/dbraw/zinc/51/85/90/1362518590.db2.gz PSXGVZXXAUYHIF-PVAVHDDUSA-N 1 2 334.847 3.173 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(OCC)cc1)C2 ZINC001096460044 1362518591 /nfs/dbraw/zinc/51/85/91/1362518591.db2.gz PSXGVZXXAUYHIF-PVAVHDDUSA-N 1 2 334.847 3.173 20 30 EGEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c(cccc3F)s1)C2 ZINC001096511394 1362543901 /nfs/dbraw/zinc/54/39/01/1362543901.db2.gz DBXLWZJGJMIFEQ-UGFHNGPFSA-N 1 2 328.412 3.009 20 30 EGEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c(cccc3F)s1)C2 ZINC001096511394 1362543905 /nfs/dbraw/zinc/54/39/05/1362543905.db2.gz DBXLWZJGJMIFEQ-UGFHNGPFSA-N 1 2 328.412 3.009 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[C@@H](CN(C)c2cc[nH+]c(C)n2)C1 ZINC001096876035 1362763508 /nfs/dbraw/zinc/76/35/08/1362763508.db2.gz QVMIBGKXTBSHFZ-SJORKVTESA-N 1 2 330.476 3.062 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001096962321 1362795293 /nfs/dbraw/zinc/79/52/93/1362795293.db2.gz OCWPILNOCQJBNO-HNNXBMFYSA-N 1 2 328.460 3.033 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001097242037 1362898578 /nfs/dbraw/zinc/89/85/78/1362898578.db2.gz MGKQMRYBVCSQGS-DARAHFNDSA-N 1 2 342.487 3.181 20 30 EGEDLO C#CCCCC(=O)NC[C@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001097303879 1362920878 /nfs/dbraw/zinc/92/08/78/1362920878.db2.gz ZHIUIEJCVWLTMJ-QGZVFWFLSA-N 1 2 342.487 3.045 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097321075 1362930941 /nfs/dbraw/zinc/93/09/41/1362930941.db2.gz BWHFLZVAQDYJLC-QGZVFWFLSA-N 1 2 344.503 3.337 20 30 EGEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1scnc1C1CCCC1)C2 ZINC001097451264 1362997462 /nfs/dbraw/zinc/99/74/62/1362997462.db2.gz HEQGCPSHSKWEGU-OAGGEKHMSA-N 1 2 343.496 3.159 20 30 EGEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1scnc1C1CCCC1)C2 ZINC001097451264 1362997465 /nfs/dbraw/zinc/99/74/65/1362997465.db2.gz HEQGCPSHSKWEGU-OAGGEKHMSA-N 1 2 343.496 3.159 20 30 EGEDLO C=CCCC(=O)N[C@H](C)[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097524714 1363038949 /nfs/dbraw/zinc/03/89/49/1363038949.db2.gz KHTQCWHLBWLPIH-NVXWUHKLSA-N 1 2 330.476 3.089 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H](C)[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001097535231 1363043971 /nfs/dbraw/zinc/04/39/71/1363043971.db2.gz PMSIHSADKPYGLC-HOCLYGCPSA-N 1 2 330.476 3.108 20 30 EGEDLO C=CCCCC(=O)N[C@@H](C)[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097541337 1363048630 /nfs/dbraw/zinc/04/86/30/1363048630.db2.gz BCFAQGKEPNCFDT-WMZOPIPTSA-N 1 2 344.503 3.479 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H](C)[C@H]2CCCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001097544087 1363051937 /nfs/dbraw/zinc/05/19/37/1363051937.db2.gz YOGBIIKARJBKDK-RDJZCZTQSA-N 1 2 342.487 3.253 20 30 EGEDLO C=CCCC1(C(=O)N[C@H](C)[C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001097544086 1363052105 /nfs/dbraw/zinc/05/21/05/1363052105.db2.gz YOGBIIKARJBKDK-NVXWUHKLSA-N 1 2 342.487 3.253 20 30 EGEDLO C=CCC(CC=C)C(=O)NC1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC001097631566 1363082040 /nfs/dbraw/zinc/08/20/40/1363082040.db2.gz FKSZOPGHTLHPHF-UHFFFAOYSA-N 1 2 328.460 3.393 20 30 EGEDLO C[C@@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)n1cc[nH+]c1 ZINC001324414386 1387619306 /nfs/dbraw/zinc/61/93/06/1387619306.db2.gz PJDSJDLDSPUPDB-LBPRGKRZSA-N 1 2 337.408 3.002 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3cnccc31)C2 ZINC001098398566 1363316713 /nfs/dbraw/zinc/31/67/13/1363316713.db2.gz AQUHVZOMMUMWHW-OLMNPRSZSA-N 1 2 341.842 3.322 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3cnccc31)C2 ZINC001098398566 1363316716 /nfs/dbraw/zinc/31/67/16/1363316716.db2.gz AQUHVZOMMUMWHW-OLMNPRSZSA-N 1 2 341.842 3.322 20 30 EGEDLO C=CCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC(=C)Br ZINC001098948780 1363535160 /nfs/dbraw/zinc/53/51/60/1363535160.db2.gz FNLYPTJAPRPCOS-CQSZACIVSA-N 1 2 343.309 3.468 20 30 EGEDLO C=CCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(=C)Br ZINC001098948780 1363535163 /nfs/dbraw/zinc/53/51/63/1363535163.db2.gz FNLYPTJAPRPCOS-CQSZACIVSA-N 1 2 343.309 3.468 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)OCC1CC1 ZINC001098952623 1363537885 /nfs/dbraw/zinc/53/78/85/1363537885.db2.gz KERJMVDCNYVNAD-GOEBONIOSA-N 1 2 342.911 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)OCC1CC1 ZINC001098952623 1363537888 /nfs/dbraw/zinc/53/78/88/1363537888.db2.gz KERJMVDCNYVNAD-GOEBONIOSA-N 1 2 342.911 3.161 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1cc(F)ccc1F ZINC001098976685 1363551884 /nfs/dbraw/zinc/55/18/84/1363551884.db2.gz XCOWQBVQLLAHGV-CZUORRHYSA-N 1 2 349.425 3.231 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1cc(F)ccc1F ZINC001098976685 1363551896 /nfs/dbraw/zinc/55/18/96/1363551896.db2.gz XCOWQBVQLLAHGV-CZUORRHYSA-N 1 2 349.425 3.231 20 30 EGEDLO C=C(Br)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)/C(C)=C/C ZINC001099000518 1363563960 /nfs/dbraw/zinc/56/39/60/1363563960.db2.gz KXVULWCKGTXKOB-CYIWUNGXSA-N 1 2 343.309 3.468 20 30 EGEDLO C=C(Br)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)/C(C)=C/C ZINC001099000518 1363563961 /nfs/dbraw/zinc/56/39/61/1363563961.db2.gz KXVULWCKGTXKOB-CYIWUNGXSA-N 1 2 343.309 3.468 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ccon1 ZINC001099092483 1363617978 /nfs/dbraw/zinc/61/79/78/1363617978.db2.gz FSLXJILGUVCQIF-INIZCTEOSA-N 1 2 333.476 3.384 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ccon1 ZINC001099092483 1363617981 /nfs/dbraw/zinc/61/79/81/1363617981.db2.gz FSLXJILGUVCQIF-INIZCTEOSA-N 1 2 333.476 3.384 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nocc1C ZINC001099203912 1363691291 /nfs/dbraw/zinc/69/12/91/1363691291.db2.gz STANOQXACCDVOV-INIZCTEOSA-N 1 2 333.476 3.446 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nocc1C ZINC001099203912 1363691293 /nfs/dbraw/zinc/69/12/93/1363691293.db2.gz STANOQXACCDVOV-INIZCTEOSA-N 1 2 333.476 3.446 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(C)CCOCC1 ZINC001099276152 1363726759 /nfs/dbraw/zinc/72/67/59/1363726759.db2.gz NNXACTGAYUZKNX-HNNXBMFYSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(C)CCOCC1 ZINC001099276152 1363726760 /nfs/dbraw/zinc/72/67/60/1363726760.db2.gz NNXACTGAYUZKNX-HNNXBMFYSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCCCCCCC)[C@H](O)C1 ZINC001100087982 1364013671 /nfs/dbraw/zinc/01/36/71/1364013671.db2.gz UMYSEYVPRRVOLV-DLBZAZTESA-N 1 2 344.927 3.431 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCCCCCCC)[C@H](O)C1 ZINC001100087982 1364013669 /nfs/dbraw/zinc/01/36/69/1364013669.db2.gz UMYSEYVPRRVOLV-DLBZAZTESA-N 1 2 344.927 3.431 20 30 EGEDLO C=CCC(CC=C)C(=O)NCCN(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001100633417 1364197314 /nfs/dbraw/zinc/19/73/14/1364197314.db2.gz VRMQLQTXLBXHOI-UHFFFAOYSA-N 1 2 342.487 3.373 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001100873636 1364305274 /nfs/dbraw/zinc/30/52/74/1364305274.db2.gz KMQZAWDVUGOGCZ-INIZCTEOSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CCCC1(C(=O)NC[C@@H]2CCCN2c2nc(C)[nH+]c(C)c2C)CC1 ZINC001100900739 1364321974 /nfs/dbraw/zinc/32/19/74/1364321974.db2.gz IVSNWLRFXCUJPD-KRWDZBQOSA-N 1 2 342.487 3.233 20 30 EGEDLO C=CCC1(C(=O)NC[C@H]2CCN(c3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001100985639 1364358268 /nfs/dbraw/zinc/35/82/68/1364358268.db2.gz XUKVZSQAAGNYSF-QGZVFWFLSA-N 1 2 342.487 3.254 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCN(c1nc(C)[nH+]c(C)c1C)C1CC1 ZINC001101425915 1364557316 /nfs/dbraw/zinc/55/73/16/1364557316.db2.gz JTQMEMCOWWIAKB-MRXNPFEDSA-N 1 2 330.476 3.089 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)CCC[C@H](C)CCC)c1nccn12 ZINC001101630335 1364662187 /nfs/dbraw/zinc/66/21/87/1364662187.db2.gz DYGGTHANLSQQHS-IAGOWNOFSA-N 1 2 344.503 3.248 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](CC)CCCCC)c1nccn12 ZINC001101653023 1364674542 /nfs/dbraw/zinc/67/45/42/1364674542.db2.gz YHDXQGXUSBXRHY-IRXDYDNUSA-N 1 2 344.503 3.248 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N(C)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001101915969 1364772651 /nfs/dbraw/zinc/77/26/51/1364772651.db2.gz HHNOTYCZKGURFH-AWEZNQCLSA-N 1 2 330.476 3.136 20 30 EGEDLO C#CCC1(C(=O)N2CCC([C@H](C)Nc3cc[nH+]c(C)n3)CC2)CCC1 ZINC001102068732 1364835201 /nfs/dbraw/zinc/83/52/01/1364835201.db2.gz SBFNVDCRMNYYJY-HNNXBMFYSA-N 1 2 340.471 3.018 20 30 EGEDLO C#CCCCCCC(=O)NCCCN(c1cc[nH+]c(C)n1)C(C)C ZINC001102132425 1364879291 /nfs/dbraw/zinc/87/92/91/1364879291.db2.gz OTQGXAXFEWDKLP-UHFFFAOYSA-N 1 2 330.476 3.090 20 30 EGEDLO C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]c(CC)n1 ZINC001102208802 1364934713 /nfs/dbraw/zinc/93/47/13/1364934713.db2.gz QLBQNFXEZJJQFV-IYBDPMFKSA-N 1 2 342.487 3.129 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H](CN(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102457505 1365067233 /nfs/dbraw/zinc/06/72/33/1365067233.db2.gz UWMMBYZDJCZDFG-MRXNPFEDSA-N 1 2 342.487 3.303 20 30 EGEDLO CC#CCCCC(=O)N(C)[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001102763275 1365207623 /nfs/dbraw/zinc/20/76/23/1365207623.db2.gz IURCLSPOVJWFLG-KRWDZBQOSA-N 1 2 342.487 3.139 20 30 EGEDLO C#CCCCCC(=O)NC[C@H](CC)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001103038075 1365350024 /nfs/dbraw/zinc/35/00/24/1365350024.db2.gz LGGXUDZMTAYMBM-INIZCTEOSA-N 1 2 328.460 3.163 20 30 EGEDLO Cc1c(C(=O)/C=C/c2ccc[nH+]c2N(C)C)nnn1-c1ccc(C)cc1 ZINC001324707525 1387745287 /nfs/dbraw/zinc/74/52/87/1387745287.db2.gz QEVVEYSGMBBIGK-FMIVXFBMSA-N 1 2 347.422 3.241 20 30 EGEDLO Cc1nc(NC[C@]2(NC(=O)C#CC(C)(C)C)CCCC[C@H]2C)cc[nH+]1 ZINC001103602371 1365667930 /nfs/dbraw/zinc/66/79/30/1365667930.db2.gz UIEOAJXJHABTNZ-FOIQADDNSA-N 1 2 342.487 3.312 20 30 EGEDLO C#CCCCCCC(=O)N1CCC(CCNc2cc[nH+]c(C)n2)CC1 ZINC001103623779 1365685126 /nfs/dbraw/zinc/68/51/26/1365685126.db2.gz SOXVJQSYTKGRGU-UHFFFAOYSA-N 1 2 342.487 3.409 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCC[C@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001103771285 1365775938 /nfs/dbraw/zinc/77/59/38/1365775938.db2.gz LBLBYPQARBSMSY-QZTJIDSGSA-N 1 2 344.503 3.479 20 30 EGEDLO C=CC[C@H](C(=O)NC[C@H](C)CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001103990410 1365861860 /nfs/dbraw/zinc/86/18/60/1365861860.db2.gz DERQTHMRSOSCIA-QAPCUYQASA-N 1 2 338.455 3.309 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H](C)CNc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC001104155362 1365929327 /nfs/dbraw/zinc/92/93/27/1365929327.db2.gz BQVGYTKPZXWYAF-AWEZNQCLSA-N 1 2 348.450 3.122 20 30 EGEDLO C#CCCCCC(=O)N(C)[C@@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001104521915 1366060655 /nfs/dbraw/zinc/06/06/55/1366060655.db2.gz QRJOSYWQYKAQJL-INIZCTEOSA-N 1 2 330.476 3.361 20 30 EGEDLO C=CC[C@H](C(=O)N(C)[C@H](C)CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001104589242 1366090394 /nfs/dbraw/zinc/09/03/94/1366090394.db2.gz YXZOLNLYAYAZPF-QAPCUYQASA-N 1 2 338.455 3.404 20 30 EGEDLO C=C1CCC(C(=O)N[C@H](CNc2cc[nH+]c(C)n2)CC(C)C)CC1 ZINC001104987992 1366260043 /nfs/dbraw/zinc/26/00/43/1366260043.db2.gz PMQSUWISTWKPOF-KRWDZBQOSA-N 1 2 330.476 3.474 20 30 EGEDLO C#CCCCC(=O)NC[C@@H](Nc1nc(C)[nH+]c2c1CCCC2)C(C)C ZINC001105162144 1366350612 /nfs/dbraw/zinc/35/06/12/1366350612.db2.gz MKYGSDBQPMAYRZ-GOSISDBHSA-N 1 2 342.487 3.020 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](Nc2cc[nH+]c(C)n2)C(C)C)CCCCC1 ZINC001105199379 1366368437 /nfs/dbraw/zinc/36/84/37/1366368437.db2.gz RTJKPUJSYGAHMD-QGZVFWFLSA-N 1 2 342.487 3.312 20 30 EGEDLO CC(C)C#CC(=O)N(C)CCN(C)c1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001105386178 1366433198 /nfs/dbraw/zinc/43/31/98/1366433198.db2.gz BMSCJAQTSZNWLI-UHFFFAOYSA-N 1 2 344.503 3.277 20 30 EGEDLO CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C(F)C(F)(F)F)CCC1 ZINC001105539540 1366518872 /nfs/dbraw/zinc/51/88/72/1366518872.db2.gz JOAXNUOZYYKCPH-KGLIPLIRSA-N 1 2 348.384 3.051 20 30 EGEDLO CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H](F)C(F)(F)F)CCC1 ZINC001105539540 1366518873 /nfs/dbraw/zinc/51/88/73/1366518873.db2.gz JOAXNUOZYYKCPH-KGLIPLIRSA-N 1 2 348.384 3.051 20 30 EGEDLO C=CCC(C)(C)C(=O)N(C)CCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001105571355 1366538298 /nfs/dbraw/zinc/53/82/98/1366538298.db2.gz CRNGRYUHHWUFEI-UHFFFAOYSA-N 1 2 332.492 3.405 20 30 EGEDLO CC(C)c1cc(NCC[C@H](C)NC(=O)[C@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001106268093 1366639364 /nfs/dbraw/zinc/63/93/64/1366639364.db2.gz CCGALXNINVJLKA-KGLIPLIRSA-N 1 2 331.464 3.190 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N(CC)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001106924110 1366834717 /nfs/dbraw/zinc/83/47/17/1366834717.db2.gz QKPLXTJSQLUKTN-LSDHHAIUSA-N 1 2 344.503 3.382 20 30 EGEDLO C=CC[C@@H](C(=O)NC/C=C\CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001107210091 1366892202 /nfs/dbraw/zinc/89/22/02/1366892202.db2.gz CLHRPHZPFFCLLL-JTHGQSKGSA-N 1 2 336.439 3.229 20 30 EGEDLO C=CCC1(C(=O)NC/C=C/CNc2cc[nH+]c(C)n2)CCCCC1 ZINC001107219844 1366895103 /nfs/dbraw/zinc/89/51/03/1366895103.db2.gz ZDPVXQVKRJTMKR-BQYQJAHWSA-N 1 2 328.460 3.396 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nncs1)CC2 ZINC001107514568 1367012432 /nfs/dbraw/zinc/01/24/32/1367012432.db2.gz MIGXJLQKWFXJOI-HDMKZQKVSA-N 1 2 348.516 3.001 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nncs1)CC2 ZINC001107514568 1367012437 /nfs/dbraw/zinc/01/24/37/1367012437.db2.gz MIGXJLQKWFXJOI-HDMKZQKVSA-N 1 2 348.516 3.001 20 30 EGEDLO Cc1nc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC(C)(C)C)C3)sc1C ZINC001109259375 1367031061 /nfs/dbraw/zinc/03/10/61/1367031061.db2.gz APBHDDWVYHVMEJ-PMPSAXMXSA-N 1 2 345.512 3.031 20 30 EGEDLO Cc1nc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC(C)(C)C)C3)sc1C ZINC001109259375 1367031069 /nfs/dbraw/zinc/03/10/69/1367031069.db2.gz APBHDDWVYHVMEJ-PMPSAXMXSA-N 1 2 345.512 3.031 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1F ZINC001109260825 1367031163 /nfs/dbraw/zinc/03/11/63/1367031163.db2.gz OKFAYBDYPSMTKT-PVAVHDDUSA-N 1 2 346.421 3.236 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1F ZINC001109260825 1367031167 /nfs/dbraw/zinc/03/11/67/1367031167.db2.gz OKFAYBDYPSMTKT-PVAVHDDUSA-N 1 2 346.421 3.236 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001109329464 1367056423 /nfs/dbraw/zinc/05/64/23/1367056423.db2.gz XCQBKTIMZXHFIS-AOIWGVFYSA-N 1 2 343.471 3.281 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001109329464 1367056428 /nfs/dbraw/zinc/05/64/28/1367056428.db2.gz XCQBKTIMZXHFIS-AOIWGVFYSA-N 1 2 343.471 3.281 20 30 EGEDLO C[N@H+](Cc1c(F)cccc1F)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190076523 1367167746 /nfs/dbraw/zinc/16/77/46/1367167746.db2.gz QXTQQIOHRZVSKV-AWEZNQCLSA-N 1 2 334.410 3.047 20 30 EGEDLO C[N@@H+](Cc1c(F)cccc1F)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190076523 1367167751 /nfs/dbraw/zinc/16/77/51/1367167751.db2.gz QXTQQIOHRZVSKV-AWEZNQCLSA-N 1 2 334.410 3.047 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N(C)CCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001109586778 1367212636 /nfs/dbraw/zinc/21/26/36/1367212636.db2.gz KXTIXIQDDIJFCU-ZFWWWQNUSA-N 1 2 330.476 3.381 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N(C)CCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001109586777 1367213108 /nfs/dbraw/zinc/21/31/08/1367213108.db2.gz KXTIXIQDDIJFCU-UKRRQHHQSA-N 1 2 330.476 3.381 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N(C)CCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001109586776 1367213223 /nfs/dbraw/zinc/21/32/23/1367213223.db2.gz KXTIXIQDDIJFCU-HIFRSBDPSA-N 1 2 330.476 3.381 20 30 EGEDLO CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001190271427 1367213844 /nfs/dbraw/zinc/21/38/44/1367213844.db2.gz YGFALZNYRBPQFM-OLZOCXBDSA-N 1 2 326.378 3.390 20 30 EGEDLO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001190271427 1367213849 /nfs/dbraw/zinc/21/38/49/1367213849.db2.gz YGFALZNYRBPQFM-OLZOCXBDSA-N 1 2 326.378 3.390 20 30 EGEDLO CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001190271427 1367213851 /nfs/dbraw/zinc/21/38/51/1367213851.db2.gz YGFALZNYRBPQFM-OLZOCXBDSA-N 1 2 326.378 3.390 20 30 EGEDLO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001190271427 1367213856 /nfs/dbraw/zinc/21/38/56/1367213856.db2.gz YGFALZNYRBPQFM-OLZOCXBDSA-N 1 2 326.378 3.390 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1ncc(C)o1 ZINC001109596356 1367220206 /nfs/dbraw/zinc/22/02/06/1367220206.db2.gz NHTZNLUQXMOTSX-FZKCQIBNSA-N 1 2 331.460 3.368 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1ncc(C)o1 ZINC001109596356 1367220209 /nfs/dbraw/zinc/22/02/09/1367220209.db2.gz NHTZNLUQXMOTSX-FZKCQIBNSA-N 1 2 331.460 3.368 20 30 EGEDLO C=C(C)CCC(=O)NC[C@]1(C)C[N@H+](C/C=C\c2ccccc2)CCO1 ZINC001107974392 1367225701 /nfs/dbraw/zinc/22/57/01/1367225701.db2.gz RNKQWVAPXZRHOU-PWYGHMFVSA-N 1 2 342.483 3.263 20 30 EGEDLO C=C(C)CCC(=O)NC[C@]1(C)C[N@@H+](C/C=C\c2ccccc2)CCO1 ZINC001107974392 1367225707 /nfs/dbraw/zinc/22/57/07/1367225707.db2.gz RNKQWVAPXZRHOU-PWYGHMFVSA-N 1 2 342.483 3.263 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)c2cccc(-c3ccc(OC)cc3)c2)CC1 ZINC001190319768 1367225867 /nfs/dbraw/zinc/22/58/67/1367225867.db2.gz KFYXVNWHFFDAIA-UHFFFAOYSA-N 1 2 336.435 3.306 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccccc2CC(C)(C)C)C1 ZINC001108018596 1367242756 /nfs/dbraw/zinc/24/27/56/1367242756.db2.gz KBQDRHVGUKRQMA-NRFANRHFSA-N 1 2 344.499 3.282 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccccc2CC(C)(C)C)C1 ZINC001108018596 1367242759 /nfs/dbraw/zinc/24/27/59/1367242759.db2.gz KBQDRHVGUKRQMA-NRFANRHFSA-N 1 2 344.499 3.282 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@H+](C)CC(=C)Br)C1 ZINC001190387795 1367248412 /nfs/dbraw/zinc/24/84/12/1367248412.db2.gz HVYOHYDZNFSPFJ-CYBMUJFWSA-N 1 2 329.282 3.030 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@@H+](C)CC(=C)Br)C1 ZINC001190387795 1367248417 /nfs/dbraw/zinc/24/84/17/1367248417.db2.gz HVYOHYDZNFSPFJ-CYBMUJFWSA-N 1 2 329.282 3.030 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)cs1 ZINC001109634625 1367254543 /nfs/dbraw/zinc/25/45/43/1367254543.db2.gz SAKNWMKSKCPDQW-FZKCQIBNSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001109634625 1367254546 /nfs/dbraw/zinc/25/45/46/1367254546.db2.gz SAKNWMKSKCPDQW-FZKCQIBNSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]([N@H+](C)Cc2csc(C3CC3)n2)C1 ZINC001190429027 1367262919 /nfs/dbraw/zinc/26/29/19/1367262919.db2.gz UAIFDINONMNSNY-INIZCTEOSA-N 1 2 333.501 3.410 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2csc(C3CC3)n2)C1 ZINC001190429027 1367262924 /nfs/dbraw/zinc/26/29/24/1367262924.db2.gz UAIFDINONMNSNY-INIZCTEOSA-N 1 2 333.501 3.410 20 30 EGEDLO C=CCCC1(C(=O)N[C@H](C)CNc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001108083574 1367274560 /nfs/dbraw/zinc/27/45/60/1367274560.db2.gz CDNIEDNUGXKQAY-CQSZACIVSA-N 1 2 342.487 3.327 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2CC(C)(C)CC(C)(C)C2)C1 ZINC001108100437 1367282928 /nfs/dbraw/zinc/28/29/28/1367282928.db2.gz WPEOVYSWBUWKPN-HXUWFJFHSA-N 1 2 336.520 3.232 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2CC(C)(C)CC(C)(C)C2)C1 ZINC001108100437 1367282935 /nfs/dbraw/zinc/28/29/35/1367282935.db2.gz WPEOVYSWBUWKPN-HXUWFJFHSA-N 1 2 336.520 3.232 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)C[N@H+]([C@@H](C)c2ccc(F)cc2)CCO1 ZINC001108121808 1367291827 /nfs/dbraw/zinc/29/18/27/1367291827.db2.gz GOPMZYBUJBEIJT-YWZLYKJASA-N 1 2 348.462 3.306 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)C[N@@H+]([C@@H](C)c2ccc(F)cc2)CCO1 ZINC001108121808 1367291830 /nfs/dbraw/zinc/29/18/30/1367291830.db2.gz GOPMZYBUJBEIJT-YWZLYKJASA-N 1 2 348.462 3.306 20 30 EGEDLO C#CCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3ncoc3C(C)C)C2)CCC1 ZINC001190603676 1367305323 /nfs/dbraw/zinc/30/53/23/1367305323.db2.gz GQPYAFSVUNWARH-INIZCTEOSA-N 1 2 343.471 3.024 20 30 EGEDLO C#CCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3ncoc3C(C)C)C2)CCC1 ZINC001190603676 1367305327 /nfs/dbraw/zinc/30/53/27/1367305327.db2.gz GQPYAFSVUNWARH-INIZCTEOSA-N 1 2 343.471 3.024 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@]2(C)C[N@H+](Cc3csc(C)c3)CCO2)C1 ZINC001108200879 1367339789 /nfs/dbraw/zinc/33/97/89/1367339789.db2.gz DVDLQPQCXCAIMQ-LJQANCHMSA-N 1 2 348.512 3.120 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@]2(C)C[N@@H+](Cc3csc(C)c3)CCO2)C1 ZINC001108200879 1367339795 /nfs/dbraw/zinc/33/97/95/1367339795.db2.gz DVDLQPQCXCAIMQ-LJQANCHMSA-N 1 2 348.512 3.120 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@](C)(F)CCCC)C1 ZINC001191038639 1367406050 /nfs/dbraw/zinc/40/60/50/1367406050.db2.gz AOQWTDPBPQHQNF-HIFRSBDPSA-N 1 2 349.288 3.346 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@](C)(F)CCCC)C1 ZINC001191038639 1367406054 /nfs/dbraw/zinc/40/60/54/1367406054.db2.gz AOQWTDPBPQHQNF-HIFRSBDPSA-N 1 2 349.288 3.346 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H](CNc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001109947816 1367419153 /nfs/dbraw/zinc/41/91/53/1367419153.db2.gz QXHRPTOWUNHHKB-HNNXBMFYSA-N 1 2 328.460 3.181 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc3c(s2)CCCCC3)C1 ZINC001108380130 1367426217 /nfs/dbraw/zinc/42/62/17/1367426217.db2.gz JHTZSGIENWWNOF-IBGZPJMESA-N 1 2 348.512 3.024 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc3c(s2)CCCCC3)C1 ZINC001108380130 1367426219 /nfs/dbraw/zinc/42/62/19/1367426219.db2.gz JHTZSGIENWWNOF-IBGZPJMESA-N 1 2 348.512 3.024 20 30 EGEDLO CC(C)(O)C#Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001191158806 1367435796 /nfs/dbraw/zinc/43/57/96/1367435796.db2.gz VWLWVGMGCYBYBX-UHFFFAOYSA-N 1 2 345.402 3.247 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001108423866 1367447703 /nfs/dbraw/zinc/44/77/03/1367447703.db2.gz BQWCEBHSPLSTAW-LAUBAEHRSA-N 1 2 342.483 3.044 20 30 EGEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001108423866 1367447706 /nfs/dbraw/zinc/44/77/06/1367447706.db2.gz BQWCEBHSPLSTAW-LAUBAEHRSA-N 1 2 342.483 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(F)(F)C(F)(F)F)C2 ZINC001110213031 1367566707 /nfs/dbraw/zinc/56/67/07/1367566707.db2.gz ZYOWTPPBGVORIM-UTLUCORTSA-N 1 2 346.727 3.048 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(F)(F)C(F)(F)F)C2 ZINC001110213031 1367566711 /nfs/dbraw/zinc/56/67/11/1367566711.db2.gz ZYOWTPPBGVORIM-UTLUCORTSA-N 1 2 346.727 3.048 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccncc2Cl)C1 ZINC001191726748 1367571708 /nfs/dbraw/zinc/57/17/08/1367571708.db2.gz AZRCFIJMJVFWMT-QGZVFWFLSA-N 1 2 347.890 3.351 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccncc2Cl)C1 ZINC001191726748 1367571712 /nfs/dbraw/zinc/57/17/12/1367571712.db2.gz AZRCFIJMJVFWMT-QGZVFWFLSA-N 1 2 347.890 3.351 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)CC(=C)Br)C1 ZINC001191867777 1367620607 /nfs/dbraw/zinc/62/06/07/1367620607.db2.gz IKTHOKZTLKJGAF-TZMCWYRMSA-N 1 2 329.282 3.030 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)CC(=C)Br)C1 ZINC001191867777 1367620611 /nfs/dbraw/zinc/62/06/11/1367620611.db2.gz IKTHOKZTLKJGAF-TZMCWYRMSA-N 1 2 329.282 3.030 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC1(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001110303087 1367624546 /nfs/dbraw/zinc/62/45/46/1367624546.db2.gz CESQULXEFTZZDA-KGLIPLIRSA-N 1 2 342.487 3.183 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2cnc(Cl)s2)C1 ZINC001191911769 1367634791 /nfs/dbraw/zinc/63/47/91/1367634791.db2.gz JLIBWOZZDYOPBH-STQMWFEESA-N 1 2 341.908 3.432 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2cnc(Cl)s2)C1 ZINC001191911769 1367634797 /nfs/dbraw/zinc/63/47/97/1367634797.db2.gz JLIBWOZZDYOPBH-STQMWFEESA-N 1 2 341.908 3.432 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC001191912028 1367635734 /nfs/dbraw/zinc/63/57/34/1367635734.db2.gz MDVWQWASZYYARC-FUHWJXTLSA-N 1 2 332.492 3.099 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC001191912028 1367635738 /nfs/dbraw/zinc/63/57/38/1367635738.db2.gz MDVWQWASZYYARC-FUHWJXTLSA-N 1 2 332.492 3.099 20 30 EGEDLO CC/C=C(\C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110345627 1367656126 /nfs/dbraw/zinc/65/61/26/1367656126.db2.gz XUZNRWFKDNQCTB-XFKGBKCJSA-N 1 2 341.430 3.275 20 30 EGEDLO CC/C=C(\C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110345627 1367656130 /nfs/dbraw/zinc/65/61/30/1367656130.db2.gz XUZNRWFKDNQCTB-XFKGBKCJSA-N 1 2 341.430 3.275 20 30 EGEDLO N#Cc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c(C(F)(F)F)c1 ZINC001192091301 1367684754 /nfs/dbraw/zinc/68/47/54/1367684754.db2.gz HGYWXKDGNCZDMI-UHFFFAOYSA-N 1 2 348.328 3.320 20 30 EGEDLO N#Cc1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c(C(F)(F)F)c1 ZINC001192091301 1367684758 /nfs/dbraw/zinc/68/47/58/1367684758.db2.gz HGYWXKDGNCZDMI-UHFFFAOYSA-N 1 2 348.328 3.320 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3nc(C)c(C)o3)C2)CCC1 ZINC001192218340 1367722437 /nfs/dbraw/zinc/72/24/37/1367722437.db2.gz OOLQDGPZGWASPP-MRXNPFEDSA-N 1 2 331.460 3.071 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3nc(C)c(C)o3)C2)CCC1 ZINC001192218340 1367722440 /nfs/dbraw/zinc/72/24/40/1367722440.db2.gz OOLQDGPZGWASPP-MRXNPFEDSA-N 1 2 331.460 3.071 20 30 EGEDLO COc1cc(C#N)ccc1C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001192263405 1367733579 /nfs/dbraw/zinc/73/35/79/1367733579.db2.gz BHSVOBAQWINMPP-UHFFFAOYSA-N 1 2 332.363 3.064 20 30 EGEDLO Cc1cc(N[C@@H]2CCN(C(=O)C#CC(C)C)[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC001110512503 1367795034 /nfs/dbraw/zinc/79/50/34/1367795034.db2.gz JUSUGQKVQPARFA-NVXWUHKLSA-N 1 2 340.471 3.113 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nc(C)[nH+]c(C)c1C ZINC001110695311 1367933577 /nfs/dbraw/zinc/93/35/77/1367933577.db2.gz MTDIYISGFQLQNK-MSOLQXFVSA-N 1 2 342.487 3.328 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@]2(CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001110699161 1367937296 /nfs/dbraw/zinc/93/72/96/1367937296.db2.gz ZSWXPHMIBIEDLX-FQEVSTJZSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CCCCC1)C2 ZINC001110751574 1367959408 /nfs/dbraw/zinc/95/94/08/1367959408.db2.gz VSXKHOYKTABPDZ-RWQQGDIJSA-N 1 2 334.504 3.412 20 30 EGEDLO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CCCCC1)C2 ZINC001110751574 1367959417 /nfs/dbraw/zinc/95/94/17/1367959417.db2.gz VSXKHOYKTABPDZ-RWQQGDIJSA-N 1 2 334.504 3.412 20 30 EGEDLO C#CCCCC(=O)N1CC[C@](C)(CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001110841996 1368022516 /nfs/dbraw/zinc/02/25/16/1368022516.db2.gz QFMHLNNXAAWBNB-HXUWFJFHSA-N 1 2 342.487 3.362 20 30 EGEDLO C=CCCCC(=O)NCC1(C)CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001110891782 1368066054 /nfs/dbraw/zinc/06/60/54/1368066054.db2.gz ZZEXMLLZTACYAG-UHFFFAOYSA-N 1 2 344.503 3.481 20 30 EGEDLO C=CCC1(C(=O)NCC2(C)CCN(c3cc[nH+]c(C)n3)CC2)CCC1 ZINC001110895328 1368069561 /nfs/dbraw/zinc/06/95/61/1368069561.db2.gz DHQDZUQGOZGZDJ-UHFFFAOYSA-N 1 2 342.487 3.254 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1ncc(C)o1 ZINC001110900647 1368074197 /nfs/dbraw/zinc/07/41/97/1368074197.db2.gz KCAWMBHWWUDXOJ-TVFCKZIOSA-N 1 2 343.471 3.349 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1ncc(C)o1 ZINC001110900647 1368074203 /nfs/dbraw/zinc/07/42/03/1368074203.db2.gz KCAWMBHWWUDXOJ-TVFCKZIOSA-N 1 2 343.471 3.349 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC001110957380 1368123589 /nfs/dbraw/zinc/12/35/89/1368123589.db2.gz PFLQXTUTZAGBGT-RBUKOAKNSA-N 1 2 330.476 3.110 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001111073895 1368153744 /nfs/dbraw/zinc/15/37/44/1368153744.db2.gz WZHZQMFFZGWSQR-KFWWJZLASA-N 1 2 333.501 3.275 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001111073895 1368153749 /nfs/dbraw/zinc/15/37/49/1368153749.db2.gz WZHZQMFFZGWSQR-KFWWJZLASA-N 1 2 333.501 3.275 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H]([C@H](C)Nc3cc[nH+]c(C)n3)C2)CC1 ZINC001111231218 1368207036 /nfs/dbraw/zinc/20/70/36/1368207036.db2.gz WOKKEXMOTNWMRM-GOEBONIOSA-N 1 2 328.460 3.180 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3nocc3C)C2)CCCC1 ZINC001194566278 1368287745 /nfs/dbraw/zinc/28/77/45/1368287745.db2.gz DKMHQDNDMQKHQI-INIZCTEOSA-N 1 2 331.460 3.152 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3nocc3C)C2)CCCC1 ZINC001194566278 1368287749 /nfs/dbraw/zinc/28/77/49/1368287749.db2.gz DKMHQDNDMQKHQI-INIZCTEOSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1cc(C)ccc1C)C2 ZINC001111399702 1368296348 /nfs/dbraw/zinc/29/63/48/1368296348.db2.gz MIEWCNDQIOVAPL-ZACQAIPSSA-N 1 2 348.874 3.156 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1cc(C)ccc1C)C2 ZINC001111399702 1368296349 /nfs/dbraw/zinc/29/63/49/1368296349.db2.gz MIEWCNDQIOVAPL-ZACQAIPSSA-N 1 2 348.874 3.156 20 30 EGEDLO CC(C)CCC(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001194795397 1368326161 /nfs/dbraw/zinc/32/61/61/1368326161.db2.gz MXURKTRLSOGIJC-UHFFFAOYSA-N 1 2 331.435 3.168 20 30 EGEDLO CC(C)CCC(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001194795397 1368326168 /nfs/dbraw/zinc/32/61/68/1368326168.db2.gz MXURKTRLSOGIJC-UHFFFAOYSA-N 1 2 331.435 3.168 20 30 EGEDLO CNc1ccc(C#N)cc1NC(=O)c1cccc(-c2c[nH+]cn2C)c1 ZINC001194908603 1368345542 /nfs/dbraw/zinc/34/55/42/1368345542.db2.gz XOOFDHOBVGBTFF-UHFFFAOYSA-N 1 2 331.379 3.253 20 30 EGEDLO CC/C=C(/C)C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001195078992 1368372286 /nfs/dbraw/zinc/37/22/86/1368372286.db2.gz GZPLGVJUHWARFX-WCSRMQSCSA-N 1 2 329.419 3.088 20 30 EGEDLO CC/C=C(/C)C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001195078992 1368372290 /nfs/dbraw/zinc/37/22/90/1368372290.db2.gz GZPLGVJUHWARFX-WCSRMQSCSA-N 1 2 329.419 3.088 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@@H+]([C@H](C)c2cc(F)ccc2F)CC1 ZINC001195645333 1368464913 /nfs/dbraw/zinc/46/49/13/1368464913.db2.gz PNZWAZYWOBBDLP-OAHLLOKOSA-N 1 2 334.410 3.364 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@H+]([C@H](C)c2cc(F)ccc2F)CC1 ZINC001195645333 1368464917 /nfs/dbraw/zinc/46/49/17/1368464917.db2.gz PNZWAZYWOBBDLP-OAHLLOKOSA-N 1 2 334.410 3.364 20 30 EGEDLO C=C(C)CCC(=O)NCC1(Nc2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001111853591 1368506938 /nfs/dbraw/zinc/50/69/38/1368506938.db2.gz HUCCQOAMVMURRA-UHFFFAOYSA-N 1 2 328.460 3.470 20 30 EGEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C(C)C)o1)C2 ZINC001111855719 1368507703 /nfs/dbraw/zinc/50/77/03/1368507703.db2.gz JSOYIOZIVDDFCW-KXBFYZLASA-N 1 2 346.475 3.020 20 30 EGEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C(C)C)o1)C2 ZINC001111855719 1368507706 /nfs/dbraw/zinc/50/77/06/1368507706.db2.gz JSOYIOZIVDDFCW-KXBFYZLASA-N 1 2 346.475 3.020 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001195950868 1368521512 /nfs/dbraw/zinc/52/15/12/1368521512.db2.gz PIBOUIZTXQQBLG-UHFFFAOYSA-N 1 2 343.496 3.422 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001195950868 1368521516 /nfs/dbraw/zinc/52/15/16/1368521516.db2.gz PIBOUIZTXQQBLG-UHFFFAOYSA-N 1 2 343.496 3.422 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[N@@H+](Cc2cc(F)ccc2OC)CC1 ZINC001195982376 1368528309 /nfs/dbraw/zinc/52/83/09/1368528309.db2.gz SUGRCLUXRGIWOI-UHFFFAOYSA-N 1 2 348.462 3.471 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[N@H+](Cc2cc(F)ccc2OC)CC1 ZINC001195982376 1368528315 /nfs/dbraw/zinc/52/83/15/1368528315.db2.gz SUGRCLUXRGIWOI-UHFFFAOYSA-N 1 2 348.462 3.471 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001111974652 1368583783 /nfs/dbraw/zinc/58/37/83/1368583783.db2.gz XZWSVRDJCRQZPJ-INIZCTEOSA-N 1 2 330.476 3.350 20 30 EGEDLO CC(C)c1cc(N(C)CCCN(C)C(=O)[C@@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001112061810 1368641009 /nfs/dbraw/zinc/64/10/09/1368641009.db2.gz OIHNZMVMHYWXMF-HNNXBMFYSA-N 1 2 345.491 3.168 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2cc(F)ccc2OC)CC1 ZINC001196831960 1368693432 /nfs/dbraw/zinc/69/34/32/1368693432.db2.gz UXJZFZHJPBTSJV-JKSUJKDBSA-N 1 2 348.462 3.327 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2cc(F)ccc2OC)CC1 ZINC001196831960 1368693435 /nfs/dbraw/zinc/69/34/35/1368693435.db2.gz UXJZFZHJPBTSJV-JKSUJKDBSA-N 1 2 348.462 3.327 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+](Cc2nc(C)sc2C)CC1 ZINC001196881741 1368706782 /nfs/dbraw/zinc/70/67/82/1368706782.db2.gz XINJRXUTYKUPEY-AWEZNQCLSA-N 1 2 335.517 3.397 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+](Cc2nc(C)sc2C)CC1 ZINC001196881741 1368706786 /nfs/dbraw/zinc/70/67/86/1368706786.db2.gz XINJRXUTYKUPEY-AWEZNQCLSA-N 1 2 335.517 3.397 20 30 EGEDLO C#CCCCCC(=O)N1CCC(CC)(Nc2cc[nH+]c(C)n2)CC1 ZINC001112207483 1368716374 /nfs/dbraw/zinc/71/63/74/1368716374.db2.gz WAFIHQMQLMZHMO-UHFFFAOYSA-N 1 2 328.460 3.162 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC(C)(Nc2cc[nH+]c(C)n2)CC1 ZINC001112356458 1368787287 /nfs/dbraw/zinc/78/72/87/1368787287.db2.gz ZKRMDISPLXASOO-UHFFFAOYSA-N 1 2 328.460 3.346 20 30 EGEDLO CC[C@@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001197586677 1368845250 /nfs/dbraw/zinc/84/52/50/1368845250.db2.gz JMDNQELKMDNHAX-HZPDHXFCSA-N 1 2 345.462 3.414 20 30 EGEDLO CC[C@@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001197586677 1368845253 /nfs/dbraw/zinc/84/52/53/1368845253.db2.gz JMDNQELKMDNHAX-HZPDHXFCSA-N 1 2 345.462 3.414 20 30 EGEDLO CC[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001197586237 1368845408 /nfs/dbraw/zinc/84/54/08/1368845408.db2.gz DGHLCHNKMBLJJY-HOTGVXAUSA-N 1 2 345.462 3.414 20 30 EGEDLO CC[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001197586237 1368845413 /nfs/dbraw/zinc/84/54/13/1368845413.db2.gz DGHLCHNKMBLJJY-HOTGVXAUSA-N 1 2 345.462 3.414 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H](C)C1 ZINC001112486935 1368884038 /nfs/dbraw/zinc/88/40/38/1368884038.db2.gz FXXIDEKKCRVBRJ-GUYCJALGSA-N 1 2 344.503 3.478 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@H](C)C1 ZINC001112499268 1368896815 /nfs/dbraw/zinc/89/68/15/1368896815.db2.gz HQNARSROMYKMLK-CXAGYDPISA-N 1 2 344.503 3.478 20 30 EGEDLO C#CCCCCC(=O)N1CC[NH+](Cc2ccccc2OC(C)C)CC1 ZINC001112772885 1368993836 /nfs/dbraw/zinc/99/38/36/1368993836.db2.gz RGKCMQYBRVNNQP-UHFFFAOYSA-N 1 2 342.483 3.312 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1cc[nH+]c(C)n1 ZINC001112777152 1368997707 /nfs/dbraw/zinc/99/77/07/1368997707.db2.gz IOEBWKOXIUHRLD-WIYYLYMNSA-N 1 2 348.450 3.173 20 30 EGEDLO CC#CCCCC(=O)N1CCC[C@@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001112803638 1369014988 /nfs/dbraw/zinc/01/49/88/1369014988.db2.gz KEQGJPKPFCSBSX-GOSISDBHSA-N 1 2 342.487 3.023 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001112806982 1369017833 /nfs/dbraw/zinc/01/78/33/1369017833.db2.gz ZTNXHDJOHCAAQQ-KRWDZBQOSA-N 1 2 330.476 3.185 20 30 EGEDLO CC(C)(C)C#CC(=O)N1CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC001112837121 1369037181 /nfs/dbraw/zinc/03/71/81/1369037181.db2.gz SRDPJFSDRDXHER-IBGZPJMESA-N 1 2 342.458 3.397 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)c1occc1C)c1ccccc1OC ZINC001198529477 1369053758 /nfs/dbraw/zinc/05/37/58/1369053758.db2.gz FJZJGSWLDVSFKU-OAHLLOKOSA-N 1 2 348.830 3.410 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NC[C@@H]([NH2+]CCF)c1ccccc1OC ZINC001198742400 1369102718 /nfs/dbraw/zinc/10/27/18/1369102718.db2.gz PSRHLEFTGRHCMD-CQSZACIVSA-N 1 2 342.842 3.190 20 30 EGEDLO C#CCC1(C(=O)N2CC[NH+](CCOC3CCCCCC3)CC2)CCC1 ZINC001112951232 1369105816 /nfs/dbraw/zinc/10/58/16/1369105816.db2.gz MORLPSMDJYWFEV-UHFFFAOYSA-N 1 2 346.515 3.064 20 30 EGEDLO C#Cc1ccc(C(=O)N2CC[NH+](CCCCC(F)(F)F)CC2)cc1 ZINC001113179631 1369247966 /nfs/dbraw/zinc/24/79/66/1369247966.db2.gz CCVNQISZZKWGSH-UHFFFAOYSA-N 1 2 338.373 3.158 20 30 EGEDLO C=CCSc1ncccc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001199736747 1369264382 /nfs/dbraw/zinc/26/43/82/1369264382.db2.gz PVMSPOULHDAVFO-UHFFFAOYSA-N 1 2 328.441 3.034 20 30 EGEDLO C=CCSc1ncccc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001199736930 1369264640 /nfs/dbraw/zinc/26/46/40/1369264640.db2.gz SKKPRBGVELGFMR-UHFFFAOYSA-N 1 2 328.441 3.103 20 30 EGEDLO C=CCSc1ncccc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001199736930 1369264645 /nfs/dbraw/zinc/26/46/45/1369264645.db2.gz SKKPRBGVELGFMR-UHFFFAOYSA-N 1 2 328.441 3.103 20 30 EGEDLO C=CCCC1(C(=O)N2CC[NH+](CCO[C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC001113305516 1369334265 /nfs/dbraw/zinc/33/42/65/1369334265.db2.gz SVWNWHJIFABMIK-RBUKOAKNSA-N 1 2 348.531 3.472 20 30 EGEDLO Cc1cc(NC2CCC(N(C)C(=O)[C@H](C)C#N)CC2)nc(C(C)C)[nH+]1 ZINC001113381601 1369381887 /nfs/dbraw/zinc/38/18/87/1369381887.db2.gz CQJGPEOCAZHQKK-IUDNXUCKSA-N 1 2 343.475 3.250 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[NH+](Cc2ccc(COC)cc2)CC1 ZINC001113388859 1369390246 /nfs/dbraw/zinc/39/02/46/1369390246.db2.gz VITCWJROIUBXMQ-UHFFFAOYSA-N 1 2 330.472 3.080 20 30 EGEDLO C=CC[C@@H](C(=O)NC[C@H](C)N(C)c1cc[nH+]c(C)n1)c1ccccc1 ZINC001113625369 1369527091 /nfs/dbraw/zinc/52/70/91/1369527091.db2.gz GWVRNMDDENYCOY-MAUKXSAKSA-N 1 2 338.455 3.086 20 30 EGEDLO CCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001113868509 1369640948 /nfs/dbraw/zinc/64/09/48/1369640948.db2.gz XXJCLIPOUQHNHI-YRWFTTLQSA-N 1 2 344.886 3.318 20 30 EGEDLO CCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001113868509 1369640952 /nfs/dbraw/zinc/64/09/52/1369640952.db2.gz XXJCLIPOUQHNHI-YRWFTTLQSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)CC[C@@H]1C ZINC001114038996 1369696898 /nfs/dbraw/zinc/69/68/98/1369696898.db2.gz AJLDDTZGNUAOFU-YOEHRIQHSA-N 1 2 342.487 3.350 20 30 EGEDLO CCCC[C@@H](CNc1cc(C)[nH+]c(C(C)C)n1)NC(=O)[C@@H](C)C#N ZINC001114219167 1369802974 /nfs/dbraw/zinc/80/29/74/1369802974.db2.gz VYSPZKDWARHSAW-ZFWWWQNUSA-N 1 2 331.464 3.155 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H](CCCC)CNc1cc[nH+]c(C)n1 ZINC001114294022 1369859752 /nfs/dbraw/zinc/85/97/52/1369859752.db2.gz SFIUJQDRQQLOJG-APWZRJJASA-N 1 2 348.491 3.101 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]2C1 ZINC001114656854 1370009936 /nfs/dbraw/zinc/00/99/36/1370009936.db2.gz MXRWWGVHJOPEOP-GVDBMIGSSA-N 1 2 342.487 3.108 20 30 EGEDLO Cc1nc(NCCC[C@H](NC(=O)C#CC2CC2)c2ccccc2)cc[nH+]1 ZINC001115275514 1370353585 /nfs/dbraw/zinc/35/35/85/1370353585.db2.gz TWOCNPYQSNMPQJ-IBGZPJMESA-N 1 2 348.450 3.248 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001204373301 1370458158 /nfs/dbraw/zinc/45/81/58/1370458158.db2.gz QZJGVHLODANVGN-QGZVFWFLSA-N 1 2 349.409 3.318 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001204373301 1370458160 /nfs/dbraw/zinc/45/81/60/1370458160.db2.gz QZJGVHLODANVGN-QGZVFWFLSA-N 1 2 349.409 3.318 20 30 EGEDLO N#Cc1cc(Nc2cccc(CC[NH+]3CCOCC3)c2)c(O)cc1F ZINC001204397103 1370466624 /nfs/dbraw/zinc/46/66/24/1370466624.db2.gz GKCLEQIFGKRUEZ-UHFFFAOYSA-N 1 2 341.386 3.021 20 30 EGEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(I)cc2)CC1 ZINC001204402522 1370467629 /nfs/dbraw/zinc/46/76/29/1370467629.db2.gz AHTRMULRQQXDPQ-GFCCVEGCSA-N 1 2 340.208 3.417 20 30 EGEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(I)cc2)CC1 ZINC001204402522 1370467633 /nfs/dbraw/zinc/46/76/33/1370467633.db2.gz AHTRMULRQQXDPQ-GFCCVEGCSA-N 1 2 340.208 3.417 20 30 EGEDLO C=CCCC(=O)N(C)[C@H](CNc1nc(C)[nH+]c2c1CCCC2)C1CC1 ZINC001115490009 1370493143 /nfs/dbraw/zinc/49/31/43/1370493143.db2.gz LXWOGGQKYWMUNG-GOSISDBHSA-N 1 2 342.487 3.279 20 30 EGEDLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)c(F)c(F)c2)CC[C@@H]1F ZINC001204523581 1370503402 /nfs/dbraw/zinc/50/34/02/1370503402.db2.gz CUMWSAZBSFSSHN-AAEUAGOBSA-N 1 2 345.258 3.331 20 30 EGEDLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)c(F)c(F)c2)CC[C@@H]1F ZINC001204523581 1370503405 /nfs/dbraw/zinc/50/34/05/1370503405.db2.gz CUMWSAZBSFSSHN-AAEUAGOBSA-N 1 2 345.258 3.331 20 30 EGEDLO CC(C)c1cc(N[C@@H](C)CN(C)C(=O)[C@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001115660489 1370645034 /nfs/dbraw/zinc/64/50/34/1370645034.db2.gz OEEKRICLHNZOLC-KGLIPLIRSA-N 1 2 331.464 3.142 20 30 EGEDLO N#Cc1ccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1F ZINC001205986542 1370929953 /nfs/dbraw/zinc/92/99/53/1370929953.db2.gz LZADWVOSKMIZCE-SFHVURJKSA-N 1 2 349.369 3.457 20 30 EGEDLO N[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001206238886 1371001193 /nfs/dbraw/zinc/00/11/93/1371001193.db2.gz VUJNKZFDAOVQSK-NSHDSACASA-N 1 2 346.246 3.190 20 30 EGEDLO N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001206238886 1371001196 /nfs/dbraw/zinc/00/11/96/1371001196.db2.gz VUJNKZFDAOVQSK-NSHDSACASA-N 1 2 346.246 3.190 20 30 EGEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc(CC#N)c(C#N)c1 ZINC001206509993 1371078202 /nfs/dbraw/zinc/07/82/02/1371078202.db2.gz OYJLXOQFVDSDDZ-UHFFFAOYSA-N 1 2 347.418 3.132 20 30 EGEDLO C[C@H](C#N)Oc1ccc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC001117815790 1371094806 /nfs/dbraw/zinc/09/48/06/1371094806.db2.gz XOVQOIYILLUYLX-OAHLLOKOSA-N 1 2 333.391 3.112 20 30 EGEDLO N#Cc1c[nH]c2nc(-c3ccc(C[NH+]4CCOCC4)cc3F)ccc12 ZINC001206671003 1371127759 /nfs/dbraw/zinc/12/77/59/1371127759.db2.gz AIOVKURAKGMIKE-UHFFFAOYSA-N 1 2 336.370 3.073 20 30 EGEDLO CCC[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206687069 1371133933 /nfs/dbraw/zinc/13/39/33/1371133933.db2.gz PKXOLVKOTRTJCY-PMUMKWKESA-N 1 2 331.435 3.070 20 30 EGEDLO CCC[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206687069 1371133938 /nfs/dbraw/zinc/13/39/38/1371133938.db2.gz PKXOLVKOTRTJCY-PMUMKWKESA-N 1 2 331.435 3.070 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)C[C@H]1C ZINC001206938400 1371234262 /nfs/dbraw/zinc/23/42/62/1371234262.db2.gz VOXUESDRAXZDDZ-CXAGYDPISA-N 1 2 336.838 3.075 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)C[C@H]1C ZINC001206938400 1371234264 /nfs/dbraw/zinc/23/42/64/1371234264.db2.gz VOXUESDRAXZDDZ-CXAGYDPISA-N 1 2 336.838 3.075 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2nc(C)cs2)C[C@H]1C ZINC001207131946 1371303594 /nfs/dbraw/zinc/30/35/94/1371303594.db2.gz KVDIYGMPPNLDEH-ZWNOBZJWSA-N 1 2 341.908 3.167 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)cs2)C[C@H]1C ZINC001207131946 1371303593 /nfs/dbraw/zinc/30/35/93/1371303593.db2.gz KVDIYGMPPNLDEH-ZWNOBZJWSA-N 1 2 341.908 3.167 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc(C(C)(C)C)no2)C[C@H]1C ZINC001207200788 1371327464 /nfs/dbraw/zinc/32/74/64/1371327464.db2.gz RYHTVSXIVOZXTE-QLFBSQMISA-N 1 2 348.491 3.221 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc(C(C)(C)C)no2)C[C@H]1C ZINC001207200788 1371327468 /nfs/dbraw/zinc/32/74/68/1371327468.db2.gz RYHTVSXIVOZXTE-QLFBSQMISA-N 1 2 348.491 3.221 20 30 EGEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cncc(C#N)c1 ZINC001119824417 1371409794 /nfs/dbraw/zinc/40/97/94/1371409794.db2.gz XRZNYWHSOZNLBQ-KURKYZTESA-N 1 2 341.455 3.428 20 30 EGEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cncc(C#N)c1 ZINC001119824417 1371409798 /nfs/dbraw/zinc/40/97/98/1371409798.db2.gz XRZNYWHSOZNLBQ-KURKYZTESA-N 1 2 341.455 3.428 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001207713105 1371483149 /nfs/dbraw/zinc/48/31/49/1371483149.db2.gz LFMNAZUHWINHGH-RAIGVLPGSA-N 1 2 331.298 3.014 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001207713105 1371483153 /nfs/dbraw/zinc/48/31/53/1371483153.db2.gz LFMNAZUHWINHGH-RAIGVLPGSA-N 1 2 331.298 3.014 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](CCc3c(F)cccc3F)CC2)c(F)c1 ZINC001208116820 1371601103 /nfs/dbraw/zinc/60/11/03/1371601103.db2.gz FOXNXJBQNIFQBB-UHFFFAOYSA-N 1 2 345.368 3.340 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C[C@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001120613653 1371648531 /nfs/dbraw/zinc/64/85/31/1371648531.db2.gz QXKAKYHSVUXYAM-AWEZNQCLSA-N 1 2 328.460 3.278 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2nc3ccc(F)cc3o2)C[C@H]1C ZINC001208318136 1371715133 /nfs/dbraw/zinc/71/51/33/1371715133.db2.gz LKAMOCBOTQHVDG-IUODEOHRSA-N 1 2 345.418 3.116 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2nc3ccc(F)cc3o2)C[C@H]1C ZINC001208318136 1371715135 /nfs/dbraw/zinc/71/51/35/1371715135.db2.gz LKAMOCBOTQHVDG-IUODEOHRSA-N 1 2 345.418 3.116 20 30 EGEDLO N#Cc1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)cc1Br ZINC001120812407 1371768215 /nfs/dbraw/zinc/76/82/15/1371768215.db2.gz USFXKRPDORJKTE-AWEZNQCLSA-N 1 2 331.217 3.359 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3nc(C)cs3)C[C@H]2C)CC1 ZINC001208499814 1371788303 /nfs/dbraw/zinc/78/83/03/1371788303.db2.gz AZWUEBMIQIBEAE-UKRRQHHQSA-N 1 2 333.501 3.134 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3nc(C)cs3)C[C@H]2C)CC1 ZINC001208499814 1371788308 /nfs/dbraw/zinc/78/83/08/1371788308.db2.gz AZWUEBMIQIBEAE-UKRRQHHQSA-N 1 2 333.501 3.134 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(CCCC)CC2)C1 ZINC001208506515 1371791406 /nfs/dbraw/zinc/79/14/06/1371791406.db2.gz ICYULLMXYYREAL-TZMCWYRMSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(CCCC)CC2)C1 ZINC001208506515 1371791412 /nfs/dbraw/zinc/79/14/12/1371791412.db2.gz ICYULLMXYYREAL-TZMCWYRMSA-N 1 2 343.309 3.302 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3csc(CC)n3)C[C@H]2C)CC1 ZINC001208515050 1371796216 /nfs/dbraw/zinc/79/62/16/1371796216.db2.gz CICZHFLBRSJJSR-GDBMZVCRSA-N 1 2 347.528 3.388 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3csc(CC)n3)C[C@H]2C)CC1 ZINC001208515050 1371796218 /nfs/dbraw/zinc/79/62/18/1371796218.db2.gz CICZHFLBRSJJSR-GDBMZVCRSA-N 1 2 347.528 3.388 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001208932154 1371950292 /nfs/dbraw/zinc/95/02/92/1371950292.db2.gz CBRLYSOQMNCRTR-UKRRQHHQSA-N 1 2 335.517 3.244 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001208932154 1371950300 /nfs/dbraw/zinc/95/03/00/1371950300.db2.gz CBRLYSOQMNCRTR-UKRRQHHQSA-N 1 2 335.517 3.244 20 30 EGEDLO C=CCN(CC[N@H+](C)Cc1nc2ccccc2s1)C(=O)OCC ZINC001209017267 1371975916 /nfs/dbraw/zinc/97/59/16/1371975916.db2.gz NFFDJKQPXPJQSA-UHFFFAOYSA-N 1 2 333.457 3.373 20 30 EGEDLO C=CCN(CC[N@@H+](C)Cc1nc2ccccc2s1)C(=O)OCC ZINC001209017267 1371975918 /nfs/dbraw/zinc/97/59/18/1371975918.db2.gz NFFDJKQPXPJQSA-UHFFFAOYSA-N 1 2 333.457 3.373 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCc2sccc2C1 ZINC001121509851 1371995385 /nfs/dbraw/zinc/99/53/85/1371995385.db2.gz OVANUTUWNLYOOM-OAHLLOKOSA-N 1 2 343.500 3.245 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCc2sccc2C1 ZINC001121509851 1371995388 /nfs/dbraw/zinc/99/53/88/1371995388.db2.gz OVANUTUWNLYOOM-OAHLLOKOSA-N 1 2 343.500 3.245 20 30 EGEDLO CC#CCCCC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2nc(C(C)C)no2)C1 ZINC001209110514 1371999984 /nfs/dbraw/zinc/99/99/84/1371999984.db2.gz ATGZISUUKOCPPU-JKSUJKDBSA-N 1 2 346.475 3.028 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@@H]([NH2+][C@@H](C)c3nc(CC)no3)C2)CCC1 ZINC001209484861 1372118135 /nfs/dbraw/zinc/11/81/35/1372118135.db2.gz LVHNOEHLHNUBLK-LSDHHAIUSA-N 1 2 346.475 3.020 20 30 EGEDLO CC[C@H](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001209679970 1372168349 /nfs/dbraw/zinc/16/83/49/1372168349.db2.gz JKSZKNRBCJJEKG-QMTMVMCOSA-N 1 2 345.462 3.460 20 30 EGEDLO CC[C@H](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001209679970 1372168355 /nfs/dbraw/zinc/16/83/55/1372168355.db2.gz JKSZKNRBCJJEKG-QMTMVMCOSA-N 1 2 345.462 3.460 20 30 EGEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@H](CC(C)C)C1 ZINC001122400470 1372242247 /nfs/dbraw/zinc/24/22/47/1372242247.db2.gz QNQHUXZRAUKHIV-MRXNPFEDSA-N 1 2 342.491 3.051 20 30 EGEDLO C=C(C)CN(C)c1nnc(C[NH+]2CCCCC2)n1Cc1cccs1 ZINC001122944628 1372345143 /nfs/dbraw/zinc/34/51/43/1372345143.db2.gz BZMUGLKBBXFEPR-UHFFFAOYSA-N 1 2 345.516 3.386 20 30 EGEDLO Cc1ccc(C#N)cc1Nc1cc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c(C)n1 ZINC001210495080 1372365970 /nfs/dbraw/zinc/36/59/70/1372365970.db2.gz DKWMBKKOSKKDBE-ZIAGYGMSSA-N 1 2 337.427 3.322 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@H]1C ZINC001123554931 1372505096 /nfs/dbraw/zinc/50/50/96/1372505096.db2.gz PUSBAKPSSILBBE-WMZOPIPTSA-N 1 2 342.487 3.069 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)[C@@H]1C ZINC001123560705 1372507257 /nfs/dbraw/zinc/50/72/57/1372507257.db2.gz AQFPQMWFLOJSGP-IAGOWNOFSA-N 1 2 342.487 3.185 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001123661136 1372546589 /nfs/dbraw/zinc/54/65/89/1372546589.db2.gz JZHLUSPVQZZZLA-WBVHZDCISA-N 1 2 330.476 3.232 20 30 EGEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3nccs3)C[C@H]2C)CCCCC1 ZINC001211411041 1372553777 /nfs/dbraw/zinc/55/37/77/1372553777.db2.gz USOFXYNVNAPPAM-HZPDHXFCSA-N 1 2 345.512 3.053 20 30 EGEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3nccs3)C[C@H]2C)CCCCC1 ZINC001211411041 1372553782 /nfs/dbraw/zinc/55/37/82/1372553782.db2.gz USOFXYNVNAPPAM-HZPDHXFCSA-N 1 2 345.512 3.053 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ncc(CC)o3)C[C@H]2C)CCCC1 ZINC001211492422 1372567578 /nfs/dbraw/zinc/56/75/78/1372567578.db2.gz BAODYCHQHILIMI-NVXWUHKLSA-N 1 2 345.487 3.310 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ncc(CC)o3)C[C@H]2C)CCCC1 ZINC001211492422 1372567582 /nfs/dbraw/zinc/56/75/82/1372567582.db2.gz BAODYCHQHILIMI-NVXWUHKLSA-N 1 2 345.487 3.310 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)on3)C[C@H]2C)CCCC1 ZINC001211492412 1372567687 /nfs/dbraw/zinc/56/76/87/1372567687.db2.gz AQCNBPQNQUYOBQ-RHSMWYFYSA-N 1 2 331.460 3.056 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)on3)C[C@H]2C)CCCC1 ZINC001211492412 1372567693 /nfs/dbraw/zinc/56/76/93/1372567693.db2.gz AQCNBPQNQUYOBQ-RHSMWYFYSA-N 1 2 331.460 3.056 20 30 EGEDLO CCN(c1nnc(C2CC[NH+](CCC#N)CC2)n1CC1CC1)C(C)C ZINC001123728578 1372570528 /nfs/dbraw/zinc/57/05/28/1372570528.db2.gz JHTFSGFWVPLNLZ-UHFFFAOYSA-N 1 2 344.507 3.016 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2sccc2Cl)C[C@H]1OC ZINC001212346822 1372691030 /nfs/dbraw/zinc/69/10/30/1372691030.db2.gz BOGKBALCGAOYBS-ZIAGYGMSSA-N 1 2 342.892 3.073 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2sccc2Cl)C[C@H]1OC ZINC001212346822 1372691033 /nfs/dbraw/zinc/69/10/33/1372691033.db2.gz BOGKBALCGAOYBS-ZIAGYGMSSA-N 1 2 342.892 3.073 20 30 EGEDLO CCCCCCCCS(=O)(=O)NCc1c[nH+]c2ccc(F)cn12 ZINC001188027846 1388220645 /nfs/dbraw/zinc/22/06/45/1388220645.db2.gz XUIAGZGRFGGZIH-UHFFFAOYSA-N 1 2 341.452 3.253 20 30 EGEDLO CCCCCCCCS(=O)(=O)NCc1c[nH+]cn1CC1CCC1 ZINC001188030522 1388221475 /nfs/dbraw/zinc/22/14/75/1388221475.db2.gz QMNAHVPLMGKIJW-UHFFFAOYSA-N 1 2 341.521 3.463 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)/C=C/C3CC3)c2C1 ZINC001128295298 1373248380 /nfs/dbraw/zinc/24/83/80/1373248380.db2.gz NSIWJFGAELVJDN-MDZDMXLPSA-N 1 2 344.503 3.252 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)/C=C/C3CC3)c2C1 ZINC001128295298 1373248384 /nfs/dbraw/zinc/24/83/84/1373248384.db2.gz NSIWJFGAELVJDN-MDZDMXLPSA-N 1 2 344.503 3.252 20 30 EGEDLO C=C(C)CCC(=O)NCc1cnn2c1C[N@H+](CC1=CCCCC1)CC2 ZINC001128372131 1373258861 /nfs/dbraw/zinc/25/88/61/1373258861.db2.gz LFJHCZYBPJQENF-UHFFFAOYSA-N 1 2 342.487 3.172 20 30 EGEDLO C=C(C)CCC(=O)NCc1cnn2c1C[N@@H+](CC1=CCCCC1)CC2 ZINC001128372131 1373258867 /nfs/dbraw/zinc/25/88/67/1373258867.db2.gz LFJHCZYBPJQENF-UHFFFAOYSA-N 1 2 342.487 3.172 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCc1cnn2c1C[N@H+](CC/C=C\CC)CC2 ZINC001128481345 1373275539 /nfs/dbraw/zinc/27/55/39/1373275539.db2.gz KVKARDLDWKGINL-ZTBDEIDFSA-N 1 2 344.503 3.274 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCc1cnn2c1C[N@@H+](CC/C=C\CC)CC2 ZINC001128481345 1373275541 /nfs/dbraw/zinc/27/55/41/1373275541.db2.gz KVKARDLDWKGINL-ZTBDEIDFSA-N 1 2 344.503 3.274 20 30 EGEDLO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1[nH]c(=O)nc2c3ccccc3oc21 ZINC001218455438 1373616598 /nfs/dbraw/zinc/61/65/98/1373616598.db2.gz KVRWRFJULHWEKB-TZMCWYRMSA-N 1 2 325.368 3.157 20 30 EGEDLO C=CCC(C)(C)C(=O)N1C[C@H](C)O[C@@]2(CC[N@H+](CC(=C)Cl)C2)C1 ZINC001131683548 1373762735 /nfs/dbraw/zinc/76/27/35/1373762735.db2.gz ZCNBLWZTUUYLPZ-MAUKXSAKSA-N 1 2 340.895 3.033 20 30 EGEDLO C=CCC(C)(C)C(=O)N1C[C@H](C)O[C@@]2(CC[N@@H+](CC(=C)Cl)C2)C1 ZINC001131683548 1373762742 /nfs/dbraw/zinc/76/27/42/1373762742.db2.gz ZCNBLWZTUUYLPZ-MAUKXSAKSA-N 1 2 340.895 3.033 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CCC(C)(C)C)C[C@@H](C)O2 ZINC001131688829 1373764551 /nfs/dbraw/zinc/76/45/51/1373764551.db2.gz SAKWEOMZHYGFIJ-CRAIPNDOSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCC(C)(C)C)C[C@@H](C)O2 ZINC001131688829 1373764554 /nfs/dbraw/zinc/76/45/54/1373764554.db2.gz SAKWEOMZHYGFIJ-CRAIPNDOSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCc3ccsc3)[C@@H]2C1 ZINC001221633055 1373785342 /nfs/dbraw/zinc/78/53/42/1373785342.db2.gz KGGWLNSTTHYGHA-HZPDHXFCSA-N 1 2 338.904 3.356 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCCc3ccsc3)[C@@H]2C1 ZINC001221633055 1373785346 /nfs/dbraw/zinc/78/53/46/1373785346.db2.gz KGGWLNSTTHYGHA-HZPDHXFCSA-N 1 2 338.904 3.356 20 30 EGEDLO CCCSCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001131848927 1373837617 /nfs/dbraw/zinc/83/76/17/1373837617.db2.gz PKDIAJJNCNOIFU-QAPCUYQASA-N 1 2 345.512 3.171 20 30 EGEDLO CCCSCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001131848927 1373837620 /nfs/dbraw/zinc/83/76/20/1373837620.db2.gz PKDIAJJNCNOIFU-QAPCUYQASA-N 1 2 345.512 3.171 20 30 EGEDLO CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131855996 1373842414 /nfs/dbraw/zinc/84/24/14/1373842414.db2.gz GLLRXLSXWUKALL-KDOFPFPSSA-N 1 2 331.435 3.357 20 30 EGEDLO CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131855996 1373842420 /nfs/dbraw/zinc/84/24/20/1373842420.db2.gz GLLRXLSXWUKALL-KDOFPFPSSA-N 1 2 331.435 3.357 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)CCC2CC2)CC[C@@H]1C ZINC001131921336 1375046491 /nfs/dbraw/zinc/04/64/91/1375046491.db2.gz ALRWMKGCDLEAPV-JSGCOSHPSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)CCC2CC2)CC[C@@H]1C ZINC001131921336 1375046495 /nfs/dbraw/zinc/04/64/95/1375046495.db2.gz ALRWMKGCDLEAPV-JSGCOSHPSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCC1CC[NH+](Cc2nnc(C(C)C)o2)CC1 ZINC001224013803 1375052213 /nfs/dbraw/zinc/05/22/13/1375052213.db2.gz JGXZAZDMIDNUSK-UHFFFAOYSA-N 1 2 348.491 3.124 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ncc(C)s2)C1 ZINC001131971420 1375076659 /nfs/dbraw/zinc/07/66/59/1375076659.db2.gz HUCOBHHHGQOTJD-HOCLYGCPSA-N 1 2 333.501 3.114 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ncc(C)s2)C1 ZINC001131971420 1375076663 /nfs/dbraw/zinc/07/66/63/1375076663.db2.gz HUCOBHHHGQOTJD-HOCLYGCPSA-N 1 2 333.501 3.114 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001132002471 1375092826 /nfs/dbraw/zinc/09/28/26/1375092826.db2.gz KHJGJDBYUFTWTP-GDBMZVCRSA-N 1 2 333.863 3.008 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(Cl)n2)C1 ZINC001132002471 1375092831 /nfs/dbraw/zinc/09/28/31/1375092831.db2.gz KHJGJDBYUFTWTP-GDBMZVCRSA-N 1 2 333.863 3.008 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC001132015877 1375099815 /nfs/dbraw/zinc/09/98/15/1375099815.db2.gz ARDXHJRDHZTFAA-KBXCAEBGSA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC001132015877 1375099820 /nfs/dbraw/zinc/09/98/20/1375099820.db2.gz ARDXHJRDHZTFAA-KBXCAEBGSA-N 1 2 334.410 3.093 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1CC=C(Cl)Cl ZINC001132038141 1375111644 /nfs/dbraw/zinc/11/16/44/1375111644.db2.gz OZGUYLLVJAYWOL-QWHCGFSZSA-N 1 2 331.287 3.324 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@H+]1CC=C(Cl)Cl ZINC001132038141 1375111648 /nfs/dbraw/zinc/11/16/48/1375111648.db2.gz OZGUYLLVJAYWOL-QWHCGFSZSA-N 1 2 331.287 3.324 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC001132046394 1375116095 /nfs/dbraw/zinc/11/60/95/1375116095.db2.gz OEHKPXPXJQYPKX-XJKSGUPXSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC001132046394 1375116096 /nfs/dbraw/zinc/11/60/96/1375116096.db2.gz OEHKPXPXJQYPKX-XJKSGUPXSA-N 1 2 348.849 3.362 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cncc(F)c2)C1 ZINC001132056655 1375122199 /nfs/dbraw/zinc/12/21/99/1375122199.db2.gz AZYFYSPJHRXPLW-HNAYVOBHSA-N 1 2 345.462 3.458 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cncc(F)c2)C1 ZINC001132056655 1375122203 /nfs/dbraw/zinc/12/22/03/1375122203.db2.gz AZYFYSPJHRXPLW-HNAYVOBHSA-N 1 2 345.462 3.458 20 30 EGEDLO C#CCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3csc(C)n3)C2)CCC1 ZINC001132102718 1375149605 /nfs/dbraw/zinc/14/96/05/1375149605.db2.gz ZVYJEZSSYSFJOT-HOCLYGCPSA-N 1 2 345.512 3.114 20 30 EGEDLO C#CCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3csc(C)n3)C2)CCC1 ZINC001132102718 1375149606 /nfs/dbraw/zinc/14/96/06/1375149606.db2.gz ZVYJEZSSYSFJOT-HOCLYGCPSA-N 1 2 345.512 3.114 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001132218064 1375215630 /nfs/dbraw/zinc/21/56/30/1375215630.db2.gz LURABIBGOXJFTR-ZFWWWQNUSA-N 1 2 335.879 3.416 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001132218064 1375215632 /nfs/dbraw/zinc/21/56/32/1375215632.db2.gz LURABIBGOXJFTR-ZFWWWQNUSA-N 1 2 335.879 3.416 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ncc(C)s2)C1 ZINC001132235903 1375232157 /nfs/dbraw/zinc/23/21/57/1375232157.db2.gz VECBZDLRPPWERB-ZBFHGGJFSA-N 1 2 333.501 3.114 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ncc(C)s2)C1 ZINC001132235903 1375232164 /nfs/dbraw/zinc/23/21/64/1375232164.db2.gz VECBZDLRPPWERB-ZBFHGGJFSA-N 1 2 333.501 3.114 20 30 EGEDLO C/C(=C/C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1)C1CC1 ZINC001226324744 1375239950 /nfs/dbraw/zinc/23/99/50/1375239950.db2.gz AQOXAEDMFJTWPY-UVTDQMKNSA-N 1 2 341.430 3.134 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=C)Br)C1 ZINC001132255644 1375249402 /nfs/dbraw/zinc/24/94/02/1375249402.db2.gz CQSJYWHQLSQZLG-KBPBESRZSA-N 1 2 329.282 3.220 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=C)Br)C1 ZINC001132255644 1375249406 /nfs/dbraw/zinc/24/94/06/1375249406.db2.gz CQSJYWHQLSQZLG-KBPBESRZSA-N 1 2 329.282 3.220 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3ncc(C)o3)C2)CC1 ZINC001132291859 1375272787 /nfs/dbraw/zinc/27/27/87/1375272787.db2.gz MWRGLDKPGAGHGW-GOEBONIOSA-N 1 2 331.460 3.199 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3ncc(C)o3)C2)CC1 ZINC001132291859 1375272790 /nfs/dbraw/zinc/27/27/90/1375272790.db2.gz MWRGLDKPGAGHGW-GOEBONIOSA-N 1 2 331.460 3.199 20 30 EGEDLO C[C@@H](C#N)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC001226639790 1375297560 /nfs/dbraw/zinc/29/75/60/1375297560.db2.gz GXTUPXHPECKBSA-NSHDSACASA-N 1 2 340.254 3.234 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCCC(F)(F)F)CC[C@@H]1C ZINC001132321173 1375299241 /nfs/dbraw/zinc/29/92/41/1375299241.db2.gz CXOIFTDWEXQPOM-NWDGAFQWSA-N 1 2 326.790 3.441 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCCC(F)(F)F)CC[C@@H]1C ZINC001132321173 1375299234 /nfs/dbraw/zinc/29/92/34/1375299234.db2.gz CXOIFTDWEXQPOM-NWDGAFQWSA-N 1 2 326.790 3.441 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3ccn(C)n3)C2)CCCC1 ZINC001132547149 1375454673 /nfs/dbraw/zinc/45/46/73/1375454673.db2.gz XRUGBCTUIBNTOW-DLBZAZTESA-N 1 2 344.503 3.026 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3ccn(C)n3)C2)CCCC1 ZINC001132547149 1375454681 /nfs/dbraw/zinc/45/46/81/1375454681.db2.gz XRUGBCTUIBNTOW-DLBZAZTESA-N 1 2 344.503 3.026 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2cc(Cl)nnc2Cl)C1 ZINC001227648476 1375459099 /nfs/dbraw/zinc/45/90/99/1375459099.db2.gz CAQHWLVFBWQROW-CYBMUJFWSA-N 1 2 349.221 3.308 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2cc(Cl)nnc2Cl)C1 ZINC001227648476 1375459103 /nfs/dbraw/zinc/45/91/03/1375459103.db2.gz CAQHWLVFBWQROW-CYBMUJFWSA-N 1 2 349.221 3.308 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001228596562 1375610079 /nfs/dbraw/zinc/61/00/79/1375610079.db2.gz JEDYJJLGTDXVIY-UHFFFAOYSA-N 1 2 331.460 3.235 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC1CC[NH+]([C@H](C)c2nc(C(C)C)no2)CC1 ZINC001228794807 1375679560 /nfs/dbraw/zinc/67/95/60/1375679560.db2.gz NBVCQEDZLYTDEF-CABCVRRESA-N 1 2 348.491 3.437 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCC3CC3)[C@@H]2C1 ZINC001188866007 1388394525 /nfs/dbraw/zinc/39/45/25/1388394525.db2.gz IMYUYHOBBZSUHI-LSDHHAIUSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)CCCC3CC3)[C@@H]2C1 ZINC001188866007 1388394532 /nfs/dbraw/zinc/39/45/32/1388394532.db2.gz IMYUYHOBBZSUHI-LSDHHAIUSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC1CC[NH+]([C@H](C)c2nc(C3CC3)no2)CC1 ZINC001229016962 1375738631 /nfs/dbraw/zinc/73/86/31/1375738631.db2.gz OOYYBCKPUVTDHG-BFUOFWGJSA-N 1 2 346.475 3.191 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)CC[C@@H](C)CC)CC1 ZINC001229714367 1375879648 /nfs/dbraw/zinc/87/96/48/1375879648.db2.gz AIBXAMARXYVNIJ-LBPRGKRZSA-N 1 2 331.298 3.302 20 30 EGEDLO C[C@H](Oc1cc(F)ccc1C#N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001230638746 1376112847 /nfs/dbraw/zinc/11/28/47/1376112847.db2.gz LEQRMOLFEIABPC-YWZLYKJASA-N 1 2 340.398 3.366 20 30 EGEDLO C[C@H](Oc1cc(F)ccc1C#N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001230638746 1376112849 /nfs/dbraw/zinc/11/28/49/1376112849.db2.gz LEQRMOLFEIABPC-YWZLYKJASA-N 1 2 340.398 3.366 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cnc(F)c(C)c1)CCO2 ZINC001231927824 1376354249 /nfs/dbraw/zinc/35/42/49/1376354249.db2.gz GNZLZZCXRYGQFY-PKOBYXMFSA-N 1 2 334.435 3.103 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cnc(F)c(C)c1)CCO2 ZINC001231927824 1376354255 /nfs/dbraw/zinc/35/42/55/1376354255.db2.gz GNZLZZCXRYGQFY-PKOBYXMFSA-N 1 2 334.435 3.103 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(Cl)cnc1F)C2 ZINC001231994936 1376374872 /nfs/dbraw/zinc/37/48/72/1376374872.db2.gz YHIZRWIURCTSEM-NVXWUHKLSA-N 1 2 340.826 3.200 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(Cl)cnc1F)C2 ZINC001231994936 1376374876 /nfs/dbraw/zinc/37/48/76/1376374876.db2.gz YHIZRWIURCTSEM-NVXWUHKLSA-N 1 2 340.826 3.200 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(SC)nc1)CCO2 ZINC001232328395 1376440879 /nfs/dbraw/zinc/44/08/79/1376440879.db2.gz DQHORZBEVAAZQS-PKOBYXMFSA-N 1 2 348.512 3.377 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccc(SC)nc1)CCO2 ZINC001232328395 1376440881 /nfs/dbraw/zinc/44/08/81/1376440881.db2.gz DQHORZBEVAAZQS-PKOBYXMFSA-N 1 2 348.512 3.377 20 30 EGEDLO N#Cc1ccc(O)c(C[NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)c1 ZINC001232673201 1376498745 /nfs/dbraw/zinc/49/87/45/1376498745.db2.gz CEUJCICGTZLKJO-UHFFFAOYSA-N 1 2 342.826 3.401 20 30 EGEDLO N#Cc1ccc(O)c(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC001232674746 1376499180 /nfs/dbraw/zinc/49/91/80/1376499180.db2.gz CZZQRMZBQVFORE-UHFFFAOYSA-N 1 2 327.815 3.239 20 30 EGEDLO N#Cc1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)s1 ZINC001232845291 1376523741 /nfs/dbraw/zinc/52/37/41/1376523741.db2.gz SPTVUFJCTFJXFQ-OAHLLOKOSA-N 1 2 325.428 3.315 20 30 EGEDLO CC(C)(C)OC(=O)NCCC1C[NH+](Cc2cc(F)ccc2C#N)C1 ZINC001232892818 1376535370 /nfs/dbraw/zinc/53/53/70/1376535370.db2.gz HLDBKFJCFVQJNH-UHFFFAOYSA-N 1 2 333.407 3.044 20 30 EGEDLO CC(C)(C)OC(=O)N1CCCC[C@]12CC[N@H+](Cc1[nH]ccc1C#N)C2 ZINC001233045590 1376560373 /nfs/dbraw/zinc/56/03/73/1376560373.db2.gz GCMAUCUPJJGNOE-LJQANCHMSA-N 1 2 344.459 3.252 20 30 EGEDLO CC(C)(C)OC(=O)N1CCCC[C@]12CC[N@@H+](Cc1[nH]ccc1C#N)C2 ZINC001233045590 1376560379 /nfs/dbraw/zinc/56/03/79/1376560379.db2.gz GCMAUCUPJJGNOE-LJQANCHMSA-N 1 2 344.459 3.252 20 30 EGEDLO N#Cc1cc2ccc(OC[C@H]3C[N@H+](Cc4ccccc4)CCO3)cc2[nH]1 ZINC001233994999 1376749779 /nfs/dbraw/zinc/74/97/79/1376749779.db2.gz YSOZSAGDUSFIAZ-HXUWFJFHSA-N 1 2 347.418 3.319 20 30 EGEDLO N#Cc1cc2ccc(OC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)cc2[nH]1 ZINC001233994999 1376749782 /nfs/dbraw/zinc/74/97/82/1376749782.db2.gz YSOZSAGDUSFIAZ-HXUWFJFHSA-N 1 2 347.418 3.319 20 30 EGEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)c1ccc(F)c(F)c1 ZINC001234128899 1376772232 /nfs/dbraw/zinc/77/22/32/1376772232.db2.gz FLNLDODCENRPOG-HOCLYGCPSA-N 1 2 334.410 3.218 20 30 EGEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)c1ccc(F)c(F)c1 ZINC001234128899 1376772235 /nfs/dbraw/zinc/77/22/35/1376772235.db2.gz FLNLDODCENRPOG-HOCLYGCPSA-N 1 2 334.410 3.218 20 30 EGEDLO N#CC1CC[NH+](Cc2ccc(-n3ccnc3)c(Br)c2)CC1 ZINC001235020092 1376827677 /nfs/dbraw/zinc/82/76/77/1376827677.db2.gz ORMKVABHGDPAKR-UHFFFAOYSA-N 1 2 345.244 3.370 20 30 EGEDLO CCc1nnc(C2CC[NH+](Cc3c(F)cc(C#N)cc3F)CC2)o1 ZINC001235664898 1376883013 /nfs/dbraw/zinc/88/30/13/1376883013.db2.gz QQXBMSGIJIDLLW-UHFFFAOYSA-N 1 2 332.354 3.161 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nnsc1Cl ZINC001135561841 1377145404 /nfs/dbraw/zinc/14/54/04/1377145404.db2.gz UOARULGDFZMLLM-WDEREUQCSA-N 1 2 344.912 3.167 20 30 EGEDLO CCCC1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)CCC1 ZINC001266336751 1377280654 /nfs/dbraw/zinc/28/06/54/1377280654.db2.gz VOXCFQRFAJAABS-SFHVURJKSA-N 1 2 325.456 3.219 20 30 EGEDLO CCCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CCC1 ZINC001266336751 1377280657 /nfs/dbraw/zinc/28/06/57/1377280657.db2.gz VOXCFQRFAJAABS-SFHVURJKSA-N 1 2 325.456 3.219 20 30 EGEDLO CC[C@@H](CC(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1)C(C)C ZINC001268896198 1377530644 /nfs/dbraw/zinc/53/06/44/1377530644.db2.gz LXBHSCRULSTYLE-KRWDZBQOSA-N 1 2 345.462 3.318 20 30 EGEDLO Cc1cccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c1F ZINC001137678343 1377590586 /nfs/dbraw/zinc/59/05/86/1377590586.db2.gz JKWVRYLNCQKXAH-UHFFFAOYSA-N 1 2 327.378 3.467 20 30 EGEDLO COc1ccc(C[NH+]2CCC(O)(c3ccccc3F)CC2)c(C#N)c1 ZINC001137703321 1377598669 /nfs/dbraw/zinc/59/86/69/1377598669.db2.gz JGHZPLSIUDSVBF-UHFFFAOYSA-N 1 2 340.398 3.190 20 30 EGEDLO COc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)OC(C)(C)C)c(C#N)c1 ZINC001137703112 1377598774 /nfs/dbraw/zinc/59/87/74/1377598774.db2.gz DWXABYLPIIQWMZ-INIZCTEOSA-N 1 2 345.443 3.056 20 30 EGEDLO COc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)OC(C)(C)C)c(C#N)c1 ZINC001137703112 1377598776 /nfs/dbraw/zinc/59/87/76/1377598776.db2.gz DWXABYLPIIQWMZ-INIZCTEOSA-N 1 2 345.443 3.056 20 30 EGEDLO COc1ccc(C[NH+]2CCC(Oc3ccccc3C#N)CC2)c(C#N)c1 ZINC001137704786 1377598981 /nfs/dbraw/zinc/59/89/81/1377598981.db2.gz VNZRAFXGKQQQAC-UHFFFAOYSA-N 1 2 347.418 3.482 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(F)cc(F)c1F)C2 ZINC001137871030 1377634590 /nfs/dbraw/zinc/63/45/90/1377634590.db2.gz LNBWUKXBEUXLGD-CRAIPNDOSA-N 1 2 341.373 3.430 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(F)cc(F)c1F)C2 ZINC001137871030 1377634591 /nfs/dbraw/zinc/63/45/91/1377634591.db2.gz LNBWUKXBEUXLGD-CRAIPNDOSA-N 1 2 341.373 3.430 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1F)C2 ZINC001137938541 1377649060 /nfs/dbraw/zinc/64/90/60/1377649060.db2.gz MBJBCQSMBSQFRE-KSSFIOAISA-N 1 2 341.373 3.430 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1F)C2 ZINC001137938541 1377649061 /nfs/dbraw/zinc/64/90/61/1377649061.db2.gz MBJBCQSMBSQFRE-KSSFIOAISA-N 1 2 341.373 3.430 20 30 EGEDLO C#CC[NH+]1CCN(Cc2cc(C(F)(F)F)cc(Cl)c2F)CC1 ZINC001137989139 1377659297 /nfs/dbraw/zinc/65/92/97/1377659297.db2.gz RDIOIJJTOGORAQ-UHFFFAOYSA-N 1 2 334.744 3.249 20 30 EGEDLO C#CCOc1ccc(C[N@@H+]2CCc3ccc(C(C)=O)cc3C2)cc1OC ZINC001138346680 1377706332 /nfs/dbraw/zinc/70/63/32/1377706332.db2.gz LWEJMIDBYCWMNQ-UHFFFAOYSA-N 1 2 349.430 3.468 20 30 EGEDLO C#CCOc1ccc(C[N@H+]2CCc3ccc(C(C)=O)cc3C2)cc1OC ZINC001138346680 1377706336 /nfs/dbraw/zinc/70/63/36/1377706336.db2.gz LWEJMIDBYCWMNQ-UHFFFAOYSA-N 1 2 349.430 3.468 20 30 EGEDLO C#CCOc1ccc(C[N@@H+]2CCc3cccc(C(=O)OC)c3C2)cc1 ZINC001138560392 1377741893 /nfs/dbraw/zinc/74/18/93/1377741893.db2.gz VASPAEVSDAYAQV-UHFFFAOYSA-N 1 2 335.403 3.044 20 30 EGEDLO C#CCOc1ccc(C[N@H+]2CCc3cccc(C(=O)OC)c3C2)cc1 ZINC001138560392 1377741894 /nfs/dbraw/zinc/74/18/94/1377741894.db2.gz VASPAEVSDAYAQV-UHFFFAOYSA-N 1 2 335.403 3.044 20 30 EGEDLO CSc1ncc(C[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)cn1 ZINC001138709882 1377771372 /nfs/dbraw/zinc/77/13/72/1377771372.db2.gz SNXJWYPHDKMVOB-MRXNPFEDSA-N 1 2 340.452 3.114 20 30 EGEDLO CSc1ncc(C[N@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)cn1 ZINC001138709882 1377771374 /nfs/dbraw/zinc/77/13/74/1377771374.db2.gz SNXJWYPHDKMVOB-MRXNPFEDSA-N 1 2 340.452 3.114 20 30 EGEDLO CCOc1ccc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)cc1OCC ZINC001138972694 1377811161 /nfs/dbraw/zinc/81/11/61/1377811161.db2.gz WYFLBTVPOJEIQR-KRWDZBQOSA-N 1 2 333.453 3.258 20 30 EGEDLO CCOc1ccc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)cc1OCC ZINC001138972694 1377811163 /nfs/dbraw/zinc/81/11/63/1377811163.db2.gz WYFLBTVPOJEIQR-KRWDZBQOSA-N 1 2 333.453 3.258 20 30 EGEDLO C=CCOc1ccccc1C[NH+]1CC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001139028760 1377820073 /nfs/dbraw/zinc/82/00/73/1377820073.db2.gz BGHUUJXNGHKTND-UHFFFAOYSA-N 1 2 344.455 3.304 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](n3cc(Br)cn3)C2)cc1F ZINC001139531288 1377898839 /nfs/dbraw/zinc/89/88/39/1377898839.db2.gz UBXKTBPLLWMKQF-CQSZACIVSA-N 1 2 349.207 3.103 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](n3cc(Br)cn3)C2)cc1F ZINC001139531288 1377898840 /nfs/dbraw/zinc/89/88/40/1377898840.db2.gz UBXKTBPLLWMKQF-CQSZACIVSA-N 1 2 349.207 3.103 20 30 EGEDLO Cc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1C#N ZINC001139723683 1377941303 /nfs/dbraw/zinc/94/13/03/1377941303.db2.gz DEJYDRJQDPGFAK-HNNXBMFYSA-N 1 2 329.444 3.308 20 30 EGEDLO Cc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1C#N ZINC001139723683 1377941304 /nfs/dbraw/zinc/94/13/04/1377941304.db2.gz DEJYDRJQDPGFAK-HNNXBMFYSA-N 1 2 329.444 3.308 20 30 EGEDLO CSc1ncc2c(n1)C[N@@H+](Cc1c[nH]c3ccc(C#N)cc13)CC2 ZINC001140115792 1378011427 /nfs/dbraw/zinc/01/14/27/1378011427.db2.gz LSPFFQMHVQLEBQ-UHFFFAOYSA-N 1 2 335.436 3.110 20 30 EGEDLO CSc1ncc2c(n1)C[N@H+](Cc1c[nH]c3ccc(C#N)cc13)CC2 ZINC001140115792 1378011432 /nfs/dbraw/zinc/01/14/32/1378011432.db2.gz LSPFFQMHVQLEBQ-UHFFFAOYSA-N 1 2 335.436 3.110 20 30 EGEDLO COc1ccc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)cc1OCC1CC1 ZINC001140488928 1378071291 /nfs/dbraw/zinc/07/12/91/1378071291.db2.gz SZSPYWFWGKAWLZ-SFHVURJKSA-N 1 2 345.464 3.258 20 30 EGEDLO COc1ccc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)cc1OCC1CC1 ZINC001140488928 1378071293 /nfs/dbraw/zinc/07/12/93/1378071293.db2.gz SZSPYWFWGKAWLZ-SFHVURJKSA-N 1 2 345.464 3.258 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(Cl)ncc1F)C2 ZINC001140607768 1378096737 /nfs/dbraw/zinc/09/67/37/1378096737.db2.gz VNZJXBLNYFIFBT-YOEHRIQHSA-N 1 2 340.826 3.200 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(Cl)ncc1F)C2 ZINC001140607768 1378096742 /nfs/dbraw/zinc/09/67/42/1378096742.db2.gz VNZJXBLNYFIFBT-YOEHRIQHSA-N 1 2 340.826 3.200 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001140812338 1378148285 /nfs/dbraw/zinc/14/82/85/1378148285.db2.gz VOVRLOGKBRVPKG-AWEZNQCLSA-N 1 2 335.835 3.311 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001140812338 1378148287 /nfs/dbraw/zinc/14/82/87/1378148287.db2.gz VOVRLOGKBRVPKG-AWEZNQCLSA-N 1 2 335.835 3.311 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3cccc(C#N)c3Cl)C[C@@H]21 ZINC001140814917 1378149550 /nfs/dbraw/zinc/14/95/50/1378149550.db2.gz UMKUQSCAFMXLIS-CABCVRRESA-N 1 2 347.846 3.263 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3cccc(C#N)c3Cl)C[C@@H]21 ZINC001140814917 1378149555 /nfs/dbraw/zinc/14/95/55/1378149555.db2.gz UMKUQSCAFMXLIS-CABCVRRESA-N 1 2 347.846 3.263 20 30 EGEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(Oc2ccc(Cl)nn2)CC1 ZINC001141166969 1378257472 /nfs/dbraw/zinc/25/74/72/1378257472.db2.gz RSZMOXYKOAGGIH-UHFFFAOYSA-N 1 2 346.793 3.184 20 30 EGEDLO COc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001141604532 1378349905 /nfs/dbraw/zinc/34/99/05/1378349905.db2.gz GSPLRASEOYMDAC-CQSZACIVSA-N 1 2 343.370 3.488 20 30 EGEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccc(SC)s1)CC2 ZINC001142023018 1378405785 /nfs/dbraw/zinc/40/57/85/1378405785.db2.gz SDWMAAPUCVCPFY-UHFFFAOYSA-N 1 2 349.525 3.464 20 30 EGEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccc(SC)s1)CC2 ZINC001142023018 1378405787 /nfs/dbraw/zinc/40/57/87/1378405787.db2.gz SDWMAAPUCVCPFY-UHFFFAOYSA-N 1 2 349.525 3.464 20 30 EGEDLO C=CCOC(=O)N1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC001142853019 1378495836 /nfs/dbraw/zinc/49/58/36/1378495836.db2.gz YGVBHFHRUUWYNM-UHFFFAOYSA-N 1 2 337.423 3.189 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2c[nH]c3cc(C#N)ccc23)CC1 ZINC001142912161 1378508091 /nfs/dbraw/zinc/50/80/91/1378508091.db2.gz WPRLNAIPCWDEHY-UHFFFAOYSA-N 1 2 340.427 3.092 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(c3ccc(F)cn3)CC2)c1F ZINC001143165283 1378551983 /nfs/dbraw/zinc/55/19/83/1378551983.db2.gz XTEZHSPUKIWZFQ-UHFFFAOYSA-N 1 2 346.356 3.083 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(c3ccc(F)cn3)CC2)c1F ZINC001143165283 1378551992 /nfs/dbraw/zinc/55/19/92/1378551992.db2.gz XTEZHSPUKIWZFQ-UHFFFAOYSA-N 1 2 346.356 3.083 20 30 EGEDLO CCC(C)(C)C(=O)N[C@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001282735964 1378585773 /nfs/dbraw/zinc/58/57/73/1378585773.db2.gz XTWOGJUECGDHCM-CYBMUJFWSA-N 1 2 331.435 3.070 20 30 EGEDLO CCOC(=O)c1[nH]ccc1C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001144329302 1378717330 /nfs/dbraw/zinc/71/73/30/1378717330.db2.gz VERDVIMWTIOBAH-UHFFFAOYSA-N 1 2 337.423 3.249 20 30 EGEDLO C=C(Cc1ccccc1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001144395527 1378726310 /nfs/dbraw/zinc/72/63/10/1378726310.db2.gz YLGFRNMGHWEOTM-QGZVFWFLSA-N 1 2 334.410 3.117 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)/C=C\C(C)(C)C)C2)C1 ZINC001147241483 1378994647 /nfs/dbraw/zinc/99/46/47/1378994647.db2.gz TWIUQMPSSIMPJX-WAYWQWQTSA-N 1 2 341.293 3.032 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)/C=C\C(C)(C)C)C2)C1 ZINC001147241483 1378994649 /nfs/dbraw/zinc/99/46/49/1378994649.db2.gz TWIUQMPSSIMPJX-WAYWQWQTSA-N 1 2 341.293 3.032 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@H+](CC(=C)Br)C2 ZINC001147631314 1379052951 /nfs/dbraw/zinc/05/29/51/1379052951.db2.gz SEBNWURYDZXJJY-UHFFFAOYSA-N 1 2 341.293 3.032 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@@H+](CC(=C)Br)C2 ZINC001147631314 1379052953 /nfs/dbraw/zinc/05/29/53/1379052953.db2.gz SEBNWURYDZXJJY-UHFFFAOYSA-N 1 2 341.293 3.032 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C(C)C)o1)C2 ZINC001148126664 1379121845 /nfs/dbraw/zinc/12/18/45/1379121845.db2.gz ZUUGYBVOJDJCTH-MRXNPFEDSA-N 1 2 345.487 3.435 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C(C)C)o1)C2 ZINC001148126664 1379121848 /nfs/dbraw/zinc/12/18/48/1379121848.db2.gz ZUUGYBVOJDJCTH-MRXNPFEDSA-N 1 2 345.487 3.435 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1csc(CC)n1)C2 ZINC001148131112 1379122734 /nfs/dbraw/zinc/12/27/34/1379122734.db2.gz PTONBIFATCJHES-HNNXBMFYSA-N 1 2 347.528 3.342 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1csc(CC)n1)C2 ZINC001148131112 1379122736 /nfs/dbraw/zinc/12/27/36/1379122736.db2.gz PTONBIFATCJHES-HNNXBMFYSA-N 1 2 347.528 3.342 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C/Cl)C2 ZINC001148363986 1379157873 /nfs/dbraw/zinc/15/78/73/1379157873.db2.gz RKQJEKVNMPXTOV-JYRVWZFOSA-N 1 2 331.287 3.442 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@@H+](C/C(Cl)=C/Cl)C2 ZINC001148363986 1379157877 /nfs/dbraw/zinc/15/78/77/1379157877.db2.gz RKQJEKVNMPXTOV-JYRVWZFOSA-N 1 2 331.287 3.442 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)[C@@H](C)[C@@H](C)CC)C2)C1 ZINC001148501821 1379195202 /nfs/dbraw/zinc/19/52/02/1379195202.db2.gz UBMQVQRHNGNWGK-JSGCOSHPSA-N 1 2 343.309 3.112 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C)[C@@H](C)CC)C2)C1 ZINC001148501821 1379195207 /nfs/dbraw/zinc/19/52/07/1379195207.db2.gz UBMQVQRHNGNWGK-JSGCOSHPSA-N 1 2 343.309 3.112 20 30 EGEDLO CCCCCCCCCC(=O)NCC[NH2+]Cc1nc(CCC)no1 ZINC001148821025 1379276310 /nfs/dbraw/zinc/27/63/10/1379276310.db2.gz RHQYXHKITPBFKH-UHFFFAOYSA-N 1 2 338.496 3.369 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](CC)CCCC)C1 ZINC001149263942 1379356431 /nfs/dbraw/zinc/35/64/31/1379356431.db2.gz PNKWAAPGURUILI-CVEARBPZSA-N 1 2 330.900 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H](CC)CCCC)C1 ZINC001149263942 1379356436 /nfs/dbraw/zinc/35/64/36/1379356436.db2.gz PNKWAAPGURUILI-CVEARBPZSA-N 1 2 330.900 3.162 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001150751541 1379606240 /nfs/dbraw/zinc/60/62/40/1379606240.db2.gz GTFYRJFHNCQXCC-HNNXBMFYSA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001150751541 1379606244 /nfs/dbraw/zinc/60/62/44/1379606244.db2.gz GTFYRJFHNCQXCC-HNNXBMFYSA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](CCC)CC(C)C)C1 ZINC001150804182 1379616890 /nfs/dbraw/zinc/61/68/90/1379616890.db2.gz XOXMBVBCHMYJGT-IRXDYDNUSA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](CCC)CC(C)C)C1 ZINC001150804182 1379616895 /nfs/dbraw/zinc/61/68/95/1379616895.db2.gz XOXMBVBCHMYJGT-IRXDYDNUSA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H](CCC)CC(C)C)C1 ZINC001150804181 1379617120 /nfs/dbraw/zinc/61/71/20/1379617120.db2.gz XOXMBVBCHMYJGT-IAGOWNOFSA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H](CCC)CC(C)C)C1 ZINC001150804181 1379617123 /nfs/dbraw/zinc/61/71/23/1379617123.db2.gz XOXMBVBCHMYJGT-IAGOWNOFSA-N 1 2 344.927 3.408 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C[C@@H]1C=CCC1 ZINC001151801634 1379784520 /nfs/dbraw/zinc/78/45/20/1379784520.db2.gz XYQYETAHYJGVPG-HZPDHXFCSA-N 1 2 343.446 3.380 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C[C@@H]1C=CCC1 ZINC001151801634 1379784524 /nfs/dbraw/zinc/78/45/24/1379784524.db2.gz XYQYETAHYJGVPG-HZPDHXFCSA-N 1 2 343.446 3.380 20 30 EGEDLO C=CC[C@H](Cc1ccccc1)C(=O)NCC[NH2+][C@H](C)c1ncc(C)o1 ZINC001151922526 1379815604 /nfs/dbraw/zinc/81/56/04/1379815604.db2.gz AVRRWROUVVEPTO-SJLPKXTDSA-N 1 2 341.455 3.185 20 30 EGEDLO C=CC[C@@H](Cc1ccccc1)C(=O)NCC[NH2+][C@H](C)c1ncc(C)o1 ZINC001151922524 1379815779 /nfs/dbraw/zinc/81/57/79/1379815779.db2.gz AVRRWROUVVEPTO-AEFFLSMTSA-N 1 2 341.455 3.185 20 30 EGEDLO C=C[C@@H](C(=O)NCC[NH2+]Cc1ncc(C(C)(C)C)o1)c1ccccc1 ZINC001152003755 1379836973 /nfs/dbraw/zinc/83/69/73/1379836973.db2.gz SQTIFLGPNJJFPB-MRXNPFEDSA-N 1 2 341.455 3.148 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1nccn1C(F)F ZINC001153594319 1380099817 /nfs/dbraw/zinc/09/98/17/1380099817.db2.gz NSECYWUYEKFAPH-CYBMUJFWSA-N 1 2 342.434 3.207 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nccn1C(F)F ZINC001153594319 1380099819 /nfs/dbraw/zinc/09/98/19/1380099819.db2.gz NSECYWUYEKFAPH-CYBMUJFWSA-N 1 2 342.434 3.207 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1noc2c1CCCC2 ZINC001154620672 1380319568 /nfs/dbraw/zinc/31/95/68/1380319568.db2.gz PHMWAYMGSJPNHI-CQSZACIVSA-N 1 2 333.476 3.092 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1noc2c1CCCC2 ZINC001154620672 1380319569 /nfs/dbraw/zinc/31/95/69/1380319569.db2.gz PHMWAYMGSJPNHI-CQSZACIVSA-N 1 2 333.476 3.092 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(F)ccc1C#N ZINC001155360511 1380442038 /nfs/dbraw/zinc/44/20/38/1380442038.db2.gz RSZIWOHNZXZKSS-HBUWYVDXSA-N 1 2 331.435 3.070 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(F)ccc1C#N ZINC001155360511 1380442039 /nfs/dbraw/zinc/44/20/39/1380442039.db2.gz RSZIWOHNZXZKSS-HBUWYVDXSA-N 1 2 331.435 3.070 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2nccn2C)CCCCC1 ZINC001157057735 1380763727 /nfs/dbraw/zinc/76/37/27/1380763727.db2.gz AJLHPEGAMJNSKL-QGZVFWFLSA-N 1 2 346.519 3.273 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2nccn2C)CCCCC1 ZINC001157057735 1380763730 /nfs/dbraw/zinc/76/37/30/1380763730.db2.gz AJLHPEGAMJNSKL-QGZVFWFLSA-N 1 2 346.519 3.273 20 30 EGEDLO Cc1[nH+]c(N2CC[C@]3(c4ccccc4OC3=O)C2(C)C)ccc1CC#N ZINC001157600476 1380977164 /nfs/dbraw/zinc/97/71/64/1380977164.db2.gz JBYRCQDJPSUKPB-OAQYLSRUSA-N 1 2 347.418 3.302 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)c1cccc2cn[nH]c21 ZINC001158300558 1381190245 /nfs/dbraw/zinc/19/02/45/1381190245.db2.gz DNLKVOVEYDZESM-OAHLLOKOSA-N 1 2 346.862 3.242 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cccc2cn[nH]c21 ZINC001158300558 1381190249 /nfs/dbraw/zinc/19/02/49/1381190249.db2.gz DNLKVOVEYDZESM-OAHLLOKOSA-N 1 2 346.862 3.242 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)c1cccc2c[nH]nc21 ZINC001158300558 1381190265 /nfs/dbraw/zinc/19/02/65/1381190265.db2.gz DNLKVOVEYDZESM-OAHLLOKOSA-N 1 2 346.862 3.242 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cccc2c[nH]nc21 ZINC001158300558 1381190271 /nfs/dbraw/zinc/19/02/71/1381190271.db2.gz DNLKVOVEYDZESM-OAHLLOKOSA-N 1 2 346.862 3.242 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nccn1CC ZINC001158370362 1381221632 /nfs/dbraw/zinc/22/16/32/1381221632.db2.gz UZYVQGVTDOZIIA-ZWKOTPCHSA-N 1 2 346.519 3.318 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nccn1CC ZINC001158370362 1381221639 /nfs/dbraw/zinc/22/16/39/1381221639.db2.gz UZYVQGVTDOZIIA-ZWKOTPCHSA-N 1 2 346.519 3.318 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cc(C)n(C)n1 ZINC001158378145 1381226211 /nfs/dbraw/zinc/22/62/11/1381226211.db2.gz ZCZMHCQSRKKFNG-PKOBYXMFSA-N 1 2 346.519 3.144 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cc(C)n(C)n1 ZINC001158378145 1381226216 /nfs/dbraw/zinc/22/62/16/1381226216.db2.gz ZCZMHCQSRKKFNG-PKOBYXMFSA-N 1 2 346.519 3.144 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@H+](Cc2cc(C)on2)CC1 ZINC001161116655 1382304412 /nfs/dbraw/zinc/30/44/12/1382304412.db2.gz MZZYNZHOBQVDTI-IBGZPJMESA-N 1 2 331.460 3.224 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@@H+](Cc2cc(C)on2)CC1 ZINC001161116655 1382304415 /nfs/dbraw/zinc/30/44/15/1382304415.db2.gz MZZYNZHOBQVDTI-IBGZPJMESA-N 1 2 331.460 3.224 20 30 EGEDLO C=CCO[C@H](C)C(=O)NCCC1=CC[N@H+](C/C(Cl)=C\Cl)CC1 ZINC001161972591 1382578654 /nfs/dbraw/zinc/57/86/54/1382578654.db2.gz GOUANPXUVGZDCL-WDGDVPDHSA-N 1 2 347.286 3.035 20 30 EGEDLO C=CCO[C@H](C)C(=O)NCCC1=CC[N@@H+](C/C(Cl)=C\Cl)CC1 ZINC001161972591 1382578658 /nfs/dbraw/zinc/57/86/58/1382578658.db2.gz GOUANPXUVGZDCL-WDGDVPDHSA-N 1 2 347.286 3.035 20 30 EGEDLO N#Cc1c(Cl)nc(Cl)c(N[C@H]2C[NH+]3CCC2CC3)c1Cl ZINC001163388600 1383038998 /nfs/dbraw/zinc/03/89/98/1383038998.db2.gz ZUYJDKWCGMJFFX-VIFPVBQESA-N 1 2 331.634 3.420 20 30 EGEDLO C=CCN1C(=O)CC[C@]12CCCN(c1nc(C)[nH+]c(C)c1C)[C@H]2CC ZINC001165598032 1383314385 /nfs/dbraw/zinc/31/43/85/1383314385.db2.gz NHBHTSCNBGSVKK-PXNSSMCTSA-N 1 2 342.487 3.328 20 30 EGEDLO CCCCCCCCOC(=O)C[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC001169914743 1384198286 /nfs/dbraw/zinc/19/82/86/1384198286.db2.gz BPEALGOHSDPNRY-MRXNPFEDSA-N 1 2 327.465 3.165 20 30 EGEDLO CCc1nnc2n1CC[N@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170395737 1384306751 /nfs/dbraw/zinc/30/67/51/1384306751.db2.gz OGNIYIPEWVGREE-UHFFFAOYSA-N 1 2 335.455 3.060 20 30 EGEDLO CCc1nnc2n1CC[N@@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170395737 1384306754 /nfs/dbraw/zinc/30/67/54/1384306754.db2.gz OGNIYIPEWVGREE-UHFFFAOYSA-N 1 2 335.455 3.060 20 30 EGEDLO C=CCN1CC[NH+]([C@@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001170876606 1384403003 /nfs/dbraw/zinc/40/30/03/1384403003.db2.gz AOMZRZRMCQMZJW-QGZVFWFLSA-N 1 2 335.289 3.110 20 30 EGEDLO COC(=O)c1ccc(C(=[NH2+])Nc2cnc(C(F)(F)F)cc2C)cc1 ZINC001170984262 1384423855 /nfs/dbraw/zinc/42/38/55/1384423855.db2.gz SGOMNPQDWBNUJJ-UHFFFAOYSA-N 1 2 337.301 3.232 20 30 EGEDLO C=CCOC1CCC([NH2+]C2(C(=O)OCC)Cc3ccccc3C2)CC1 ZINC001173314062 1384956608 /nfs/dbraw/zinc/95/66/08/1384956608.db2.gz ICCICRQFVSSTPP-UHFFFAOYSA-N 1 2 343.467 3.191 20 30 EGEDLO COC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173587512 1384982403 /nfs/dbraw/zinc/98/24/03/1384982403.db2.gz ZZBWEJWLPFYMCH-PQUAAJSLSA-N 1 2 334.847 3.486 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cc1ccc(F)cc1Cl ZINC001317486403 1385184303 /nfs/dbraw/zinc/18/43/03/1385184303.db2.gz UPNQSKMPLATKQD-UHFFFAOYSA-N 1 2 333.234 3.212 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cc1ccc(F)cc1Cl ZINC001317486403 1385184305 /nfs/dbraw/zinc/18/43/05/1385184305.db2.gz UPNQSKMPLATKQD-UHFFFAOYSA-N 1 2 333.234 3.212 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1ccccc1OC)C1CC1 ZINC001317558257 1385332033 /nfs/dbraw/zinc/33/20/33/1385332033.db2.gz QZISBWMWLQRUFI-DLBZAZTESA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1ccccc1OC)C1CC1 ZINC001317558257 1385332041 /nfs/dbraw/zinc/33/20/41/1385332041.db2.gz QZISBWMWLQRUFI-DLBZAZTESA-N 1 2 348.874 3.132 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@@H+](Cc3ccc(C)cc3C)[C@H]2C1 ZINC001176955529 1385755542 /nfs/dbraw/zinc/75/55/42/1385755542.db2.gz VBOHIBJTZIFKOW-VQTJNVASSA-N 1 2 342.483 3.071 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@H+](Cc3ccc(C)cc3C)[C@H]2C1 ZINC001176955529 1385755545 /nfs/dbraw/zinc/75/55/45/1385755545.db2.gz VBOHIBJTZIFKOW-VQTJNVASSA-N 1 2 342.483 3.071 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@@H+](Cc3ccc(C)cc3C)[C@H]2C1 ZINC001176955527 1385755665 /nfs/dbraw/zinc/75/56/65/1385755665.db2.gz VBOHIBJTZIFKOW-PMACEKPBSA-N 1 2 342.483 3.071 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@H+](Cc3ccc(C)cc3C)[C@H]2C1 ZINC001176955527 1385755667 /nfs/dbraw/zinc/75/56/67/1385755667.db2.gz VBOHIBJTZIFKOW-PMACEKPBSA-N 1 2 342.483 3.071 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2OCC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001177019467 1385774624 /nfs/dbraw/zinc/77/46/24/1385774624.db2.gz MUICNFULPTVSOM-RTBURBONSA-N 1 2 342.483 3.091 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2OCC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001177019467 1385774630 /nfs/dbraw/zinc/77/46/30/1385774630.db2.gz MUICNFULPTVSOM-RTBURBONSA-N 1 2 342.483 3.091 20 30 EGEDLO C=CC1(CC(=O)N2CC[C@H]3OCC[N@@H+](CC(=C)C)[C@H]3C2)CCCCC1 ZINC001177112603 1385817225 /nfs/dbraw/zinc/81/72/25/1385817225.db2.gz JEOLBCKDIZOULY-RBUKOAKNSA-N 1 2 346.515 3.391 20 30 EGEDLO C=CC1(CC(=O)N2CC[C@H]3OCC[N@H+](CC(=C)C)[C@H]3C2)CCCCC1 ZINC001177112603 1385817237 /nfs/dbraw/zinc/81/72/37/1385817237.db2.gz JEOLBCKDIZOULY-RBUKOAKNSA-N 1 2 346.515 3.391 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@H]([NH2+]Cc2cnsn2)[C@@H]1C ZINC001179987476 1386659054 /nfs/dbraw/zinc/65/90/54/1386659054.db2.gz YOQHWQCSABRDIU-HOCLYGCPSA-N 1 2 338.521 3.368 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nc(C(C)C)no2)C1 ZINC001182825337 1387230481 /nfs/dbraw/zinc/23/04/81/1387230481.db2.gz QQHBQNDIAAAQGW-GOEBONIOSA-N 1 2 346.475 3.213 20 30 EGEDLO C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCC[N@@H+]2C)n1C ZINC001339932656 1390192649 /nfs/dbraw/zinc/19/26/49/1390192649.db2.gz WGWWIQDPBDXPKL-GOSISDBHSA-N 1 2 339.487 3.207 20 30 EGEDLO C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCC[N@H+]2C)n1C ZINC001339932656 1390192652 /nfs/dbraw/zinc/19/26/52/1390192652.db2.gz WGWWIQDPBDXPKL-GOSISDBHSA-N 1 2 339.487 3.207 20 30 EGEDLO C=C(C)CN(C)c1nnc([C@H]2CCC[N@@H+]2C)n1Cc1ccccc1 ZINC001342266131 1390593152 /nfs/dbraw/zinc/59/31/52/1390593152.db2.gz UORQUIKSSIGUJI-QGZVFWFLSA-N 1 2 325.460 3.105 20 30 EGEDLO C=C(C)CN(C)c1nnc([C@H]2CCC[N@H+]2C)n1Cc1ccccc1 ZINC001342266131 1390593155 /nfs/dbraw/zinc/59/31/55/1390593155.db2.gz UORQUIKSSIGUJI-QGZVFWFLSA-N 1 2 325.460 3.105 20 30 EGEDLO CC(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@H](CC#N)C1 ZINC001343513178 1390719312 /nfs/dbraw/zinc/71/93/12/1390719312.db2.gz SDAJMDNVAPCSAF-QGZVFWFLSA-N 1 2 344.507 3.050 20 30 EGEDLO C#C[C@@H](C)N(C)c1nnc([C@H]2CCCC[N@@H+]2C)n1Cc1cccs1 ZINC001344785141 1390814855 /nfs/dbraw/zinc/81/48/55/1390814855.db2.gz LHGYNQNNTVIYIE-GDBMZVCRSA-N 1 2 343.500 3.003 20 30 EGEDLO C#C[C@@H](C)N(C)c1nnc([C@H]2CCCC[N@H+]2C)n1Cc1cccs1 ZINC001344785141 1390814857 /nfs/dbraw/zinc/81/48/57/1390814857.db2.gz LHGYNQNNTVIYIE-GDBMZVCRSA-N 1 2 343.500 3.003 20 30 EGEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)[C@@H](C)CCC ZINC001346657700 1390967012 /nfs/dbraw/zinc/96/70/12/1390967012.db2.gz OYIBYPPIHNRNSV-DLBZAZTESA-N 1 2 349.523 3.261 20 30 EGEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)[C@@H](C)CCC ZINC001346657700 1390967014 /nfs/dbraw/zinc/96/70/14/1390967014.db2.gz OYIBYPPIHNRNSV-DLBZAZTESA-N 1 2 349.523 3.261 20 30 EGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(C#N)cc2F)CC1 ZINC001346994260 1390991559 /nfs/dbraw/zinc/99/15/59/1390991559.db2.gz YYOJNHCMYFIQPQ-ZDUSSCGKSA-N 1 2 343.427 3.278 20 30 EGEDLO C=C[C@H](C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1ccccc1 ZINC001348855515 1391275407 /nfs/dbraw/zinc/27/54/07/1391275407.db2.gz YPSRBRLIYGTNOT-PXNSSMCTSA-N 1 2 335.451 3.257 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001351614946 1391657569 /nfs/dbraw/zinc/65/75/69/1391657569.db2.gz BPRMZBOXFQAIPF-QFBILLFUSA-N 1 2 347.507 3.016 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001351614946 1391657571 /nfs/dbraw/zinc/65/75/71/1391657571.db2.gz BPRMZBOXFQAIPF-QFBILLFUSA-N 1 2 347.507 3.016 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ncc(C)s2)C1 ZINC001479904531 1392472428 /nfs/dbraw/zinc/47/24/28/1392472428.db2.gz PQOQKTRAVXQLIH-MRXNPFEDSA-N 1 2 333.501 3.301 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@H+](Cc2ncc(C)s2)C1 ZINC001479904531 1392472429 /nfs/dbraw/zinc/47/24/29/1392472429.db2.gz PQOQKTRAVXQLIH-MRXNPFEDSA-N 1 2 333.501 3.301 20 30 EGEDLO Cc1ccc2[nH]cc(C(=O)NCC[N@@H+](C)Cc3ccccc3C#N)c2c1 ZINC001480954005 1393044596 /nfs/dbraw/zinc/04/45/96/1393044596.db2.gz VVTMSBNCUBSNIH-UHFFFAOYSA-N 1 2 346.434 3.210 20 30 EGEDLO Cc1ccc2[nH]cc(C(=O)NCC[N@H+](C)Cc3ccccc3C#N)c2c1 ZINC001480954005 1393044601 /nfs/dbraw/zinc/04/46/01/1393044601.db2.gz VVTMSBNCUBSNIH-UHFFFAOYSA-N 1 2 346.434 3.210 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2ccn(C(C)C)n2)C1 ZINC001481407528 1394262446 /nfs/dbraw/zinc/26/24/46/1394262446.db2.gz TXSNLWHBUBUAPF-HNNXBMFYSA-N 1 2 338.883 3.143 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccn(C(C)C)n2)C1 ZINC001481407528 1394262450 /nfs/dbraw/zinc/26/24/50/1394262450.db2.gz TXSNLWHBUBUAPF-HNNXBMFYSA-N 1 2 338.883 3.143 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)CCC)C1 ZINC001481740012 1394485870 /nfs/dbraw/zinc/48/58/70/1394485870.db2.gz JGEKFTFLVQDWIU-CYBMUJFWSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)CCC)C1 ZINC001481740012 1394485872 /nfs/dbraw/zinc/48/58/72/1394485872.db2.gz JGEKFTFLVQDWIU-CYBMUJFWSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)CCC2(C)CC2)C1 ZINC001481778664 1394523888 /nfs/dbraw/zinc/52/38/88/1394523888.db2.gz XBRFGUSUQHEZCK-AWEZNQCLSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)CCC2(C)CC2)C1 ZINC001481778664 1394523889 /nfs/dbraw/zinc/52/38/89/1394523889.db2.gz XBRFGUSUQHEZCK-AWEZNQCLSA-N 1 2 343.309 3.398 20 30 EGEDLO CCC[C@@H](C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F)C(C)C ZINC001492442611 1396322400 /nfs/dbraw/zinc/32/24/00/1396322400.db2.gz SAWDVVJOTTUOAK-QGZVFWFLSA-N 1 2 333.451 3.318 20 30 EGEDLO CCC[C@@H](C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F)C(C)C ZINC001492442611 1396322401 /nfs/dbraw/zinc/32/24/01/1396322401.db2.gz SAWDVVJOTTUOAK-QGZVFWFLSA-N 1 2 333.451 3.318 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C(C)(C)c1ccc(F)cc1 ZINC001699002733 1406817105 /nfs/dbraw/zinc/81/71/05/1406817105.db2.gz XMAMVWVEHUAZJB-UHFFFAOYSA-N 1 2 326.843 3.246 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C(C)(C)c1ccc(F)cc1 ZINC001699002733 1406817109 /nfs/dbraw/zinc/81/71/09/1406817109.db2.gz XMAMVWVEHUAZJB-UHFFFAOYSA-N 1 2 326.843 3.246 20 30 EGEDLO CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1F ZINC001732025890 1428244160 /nfs/dbraw/zinc/24/41/60/1428244160.db2.gz XGDQVINJSFYGRF-CALCHBBNSA-N 1 2 329.419 3.063 20 30 EGEDLO CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1F ZINC001732025890 1428244161 /nfs/dbraw/zinc/24/41/61/1428244161.db2.gz XGDQVINJSFYGRF-CALCHBBNSA-N 1 2 329.419 3.063 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC001732154455 1428398407 /nfs/dbraw/zinc/39/84/07/1428398407.db2.gz VASWJFYBKLOJAL-CQSZACIVSA-N 1 2 336.863 3.338 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001732154455 1428398413 /nfs/dbraw/zinc/39/84/13/1428398413.db2.gz VASWJFYBKLOJAL-CQSZACIVSA-N 1 2 336.863 3.338 20 30 EGEDLO Cc1coc(C)c1C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001732580291 1428785809 /nfs/dbraw/zinc/78/58/09/1428785809.db2.gz DNQYLHIICLGZPP-UHFFFAOYSA-N 1 2 343.402 3.111 20 30 EGEDLO Cc1coc(C)c1C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001732580291 1428785811 /nfs/dbraw/zinc/78/58/11/1428785811.db2.gz DNQYLHIICLGZPP-UHFFFAOYSA-N 1 2 343.402 3.111 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)CC(C)(C)C1CC1 ZINC001732580686 1428786861 /nfs/dbraw/zinc/78/68/61/1428786861.db2.gz JYSTYCGLDPCRPI-UHFFFAOYSA-N 1 2 345.462 3.414 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)CC(C)(C)C1CC1 ZINC001732580686 1428786865 /nfs/dbraw/zinc/78/68/65/1428786865.db2.gz JYSTYCGLDPCRPI-UHFFFAOYSA-N 1 2 345.462 3.414 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(C)nn1C(CC)CC ZINC001733043584 1429173589 /nfs/dbraw/zinc/17/35/89/1429173589.db2.gz RDOPSUXXTALJNX-CQSZACIVSA-N 1 2 340.899 3.355 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(C)nn1C(CC)CC ZINC001733043584 1429173590 /nfs/dbraw/zinc/17/35/90/1429173590.db2.gz RDOPSUXXTALJNX-CQSZACIVSA-N 1 2 340.899 3.355 20 30 EGEDLO CCC1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)CCC1 ZINC001713062108 1417619143 /nfs/dbraw/zinc/61/91/43/1417619143.db2.gz ZBNBIENICINJST-QGZVFWFLSA-N 1 2 343.446 3.358 20 30 EGEDLO CCC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)CCC1 ZINC001713062108 1417619145 /nfs/dbraw/zinc/61/91/45/1417619145.db2.gz ZBNBIENICINJST-QGZVFWFLSA-N 1 2 343.446 3.358 20 30 EGEDLO CCCC[C@@](C)(F)C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001713460007 1418115123 /nfs/dbraw/zinc/11/51/23/1418115123.db2.gz SWOCYLFUZJAIOE-GOSISDBHSA-N 1 2 337.414 3.164 20 30 EGEDLO CCCC[C@@](C)(F)C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001713460007 1418115125 /nfs/dbraw/zinc/11/51/25/1418115125.db2.gz SWOCYLFUZJAIOE-GOSISDBHSA-N 1 2 337.414 3.164 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)NCC[N@H+](Cc2ccccc2C#N)C2CC2)CC1 ZINC001713564733 1418372103 /nfs/dbraw/zinc/37/21/03/1418372103.db2.gz JFOFXJBAZYPKIL-QAQDUYKDSA-N 1 2 339.483 3.465 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)NCC[N@@H+](Cc2ccccc2C#N)C2CC2)CC1 ZINC001713564733 1418372106 /nfs/dbraw/zinc/37/21/06/1418372106.db2.gz JFOFXJBAZYPKIL-QAQDUYKDSA-N 1 2 339.483 3.465 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cc(C)sn2)C1 ZINC001713716809 1418483070 /nfs/dbraw/zinc/48/30/70/1418483070.db2.gz XISJQWHQAZGJBP-ZDUSSCGKSA-N 1 2 327.881 3.131 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cc(C)sn2)C1 ZINC001713716809 1418483074 /nfs/dbraw/zinc/48/30/74/1418483074.db2.gz XISJQWHQAZGJBP-ZDUSSCGKSA-N 1 2 327.881 3.131 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](C)CCc2ccccc2F)C1 ZINC001713916792 1418711719 /nfs/dbraw/zinc/71/17/19/1418711719.db2.gz CZSNEBQRUDWFHG-ZDUSSCGKSA-N 1 2 338.854 3.195 20 30 EGEDLO Cc1ccc(C(=O)N(C)CC[N@H+](C)Cc2ccccc2C#N)cc1F ZINC001715525285 1420213307 /nfs/dbraw/zinc/21/33/07/1420213307.db2.gz PCBRTJZQPKZMEH-UHFFFAOYSA-N 1 2 339.414 3.210 20 30 EGEDLO Cc1ccc(C(=O)N(C)CC[N@@H+](C)Cc2ccccc2C#N)cc1F ZINC001715525285 1420213309 /nfs/dbraw/zinc/21/33/09/1420213309.db2.gz PCBRTJZQPKZMEH-UHFFFAOYSA-N 1 2 339.414 3.210 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](OC(C)C)c1ccccc1 ZINC001715539512 1420237237 /nfs/dbraw/zinc/23/72/37/1420237237.db2.gz IQVYCVIBYRITHZ-QGZVFWFLSA-N 1 2 338.879 3.295 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](OC(C)C)c1ccccc1 ZINC001715539512 1420237240 /nfs/dbraw/zinc/23/72/40/1420237240.db2.gz IQVYCVIBYRITHZ-QGZVFWFLSA-N 1 2 338.879 3.295 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1csc(C(C)(C)C)n1 ZINC001716046851 1420510785 /nfs/dbraw/zinc/51/07/85/1420510785.db2.gz QNPZDVNBOFWFTM-LBPRGKRZSA-N 1 2 343.924 3.172 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1csc(C(C)(C)C)n1 ZINC001716046851 1420510788 /nfs/dbraw/zinc/51/07/88/1420510788.db2.gz QNPZDVNBOFWFTM-LBPRGKRZSA-N 1 2 343.924 3.172 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1sc(C2CC2)nc1C ZINC001716477764 1420692903 /nfs/dbraw/zinc/69/29/03/1420692903.db2.gz KRAGMRAFQNFONI-SNVBAGLBSA-N 1 2 327.881 3.132 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1sc(C2CC2)nc1C ZINC001716477764 1420692905 /nfs/dbraw/zinc/69/29/05/1420692905.db2.gz KRAGMRAFQNFONI-SNVBAGLBSA-N 1 2 327.881 3.132 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@](C)(CNC(=O)c2ccco2)C1 ZINC001716892144 1421017766 /nfs/dbraw/zinc/01/77/66/1421017766.db2.gz WONPXMIWONGCHT-OAHLLOKOSA-N 1 2 341.249 3.020 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@](C)(CNC(=O)c2ccco2)C1 ZINC001716892144 1421017769 /nfs/dbraw/zinc/01/77/69/1421017769.db2.gz WONPXMIWONGCHT-OAHLLOKOSA-N 1 2 341.249 3.020 20 30 EGEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)c1ccc(F)cc1)C1CC1 ZINC001731871320 1428128133 /nfs/dbraw/zinc/12/81/33/1428128133.db2.gz DSMYUXOEFUXVRJ-UHFFFAOYSA-N 1 2 337.398 3.092 20 30 EGEDLO N#Cc1ccccc1C[N@H+](CCNC(=O)c1ccc(F)cc1)C1CC1 ZINC001731871320 1428128135 /nfs/dbraw/zinc/12/81/35/1428128135.db2.gz DSMYUXOEFUXVRJ-UHFFFAOYSA-N 1 2 337.398 3.092 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)CCc1cc(F)ccc1F)C1CC1 ZINC001731883966 1428156970 /nfs/dbraw/zinc/15/69/70/1428156970.db2.gz PIERZWXWEYZLEM-UHFFFAOYSA-N 1 2 342.817 3.231 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)CCc1cc(F)ccc1F)C1CC1 ZINC001731883966 1428156971 /nfs/dbraw/zinc/15/69/71/1428156971.db2.gz PIERZWXWEYZLEM-UHFFFAOYSA-N 1 2 342.817 3.231 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1cc(C)oc1C ZINC001733769856 1429998346 /nfs/dbraw/zinc/99/83/46/1429998346.db2.gz VDXCKDMPWXDNOL-UHFFFAOYSA-N 1 2 343.265 3.199 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1cc(C)oc1C ZINC001733769856 1429998351 /nfs/dbraw/zinc/99/83/51/1429998351.db2.gz VDXCKDMPWXDNOL-UHFFFAOYSA-N 1 2 343.265 3.199 20 30 EGEDLO CCC(C)(C)C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001734121623 1437902056 /nfs/dbraw/zinc/90/20/56/1437902056.db2.gz VPRPPBKKNMHGPE-ZDUSSCGKSA-N 1 2 331.435 3.070 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC001752320462 1440170497 /nfs/dbraw/zinc/17/04/97/1440170497.db2.gz DCTFCGLRKMVBDC-GOEBONIOSA-N 1 2 334.410 3.410 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC001752320462 1440170498 /nfs/dbraw/zinc/17/04/98/1440170498.db2.gz DCTFCGLRKMVBDC-GOEBONIOSA-N 1 2 334.410 3.410 20 30 EGEDLO C#CCCCCC(=O)N(CCC)C1CC[NH+](Cc2cc(C)on2)CC1 ZINC001752433164 1440179412 /nfs/dbraw/zinc/17/94/12/1440179412.db2.gz CVAXQVVRSCPFDW-UHFFFAOYSA-N 1 2 345.487 3.380 20 30 EGEDLO C=C(C)CCC(=O)N(CCC)C1CC[NH+](Cc2ccn(CC)n2)CC1 ZINC001752440485 1440181286 /nfs/dbraw/zinc/18/12/86/1440181286.db2.gz YJPMFDMLDWDGJK-UHFFFAOYSA-N 1 2 346.519 3.462 20 30 EGEDLO C=CCCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001752818280 1440219098 /nfs/dbraw/zinc/21/90/98/1440219098.db2.gz ZKKVXGZPSPXSDH-GOSISDBHSA-N 1 2 329.419 3.134 20 30 EGEDLO C=CCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001752818280 1440219099 /nfs/dbraw/zinc/21/90/99/1440219099.db2.gz ZKKVXGZPSPXSDH-GOSISDBHSA-N 1 2 329.419 3.134 20 30 EGEDLO C=C[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ncc(C(C)C)o1)c1ccccc1 ZINC001752920335 1440248420 /nfs/dbraw/zinc/24/84/20/1440248420.db2.gz BHZGAZXAAHQBGO-WBVHZDCISA-N 1 2 341.455 3.362 20 30 EGEDLO C[N@H+](CCNC(=O)c1cccc(C2CC2)c1)Cc1ccccc1C#N ZINC001753074865 1440290834 /nfs/dbraw/zinc/29/08/34/1440290834.db2.gz ULLPVHBIOMBTOP-UHFFFAOYSA-N 1 2 333.435 3.297 20 30 EGEDLO C[N@@H+](CCNC(=O)c1cccc(C2CC2)c1)Cc1ccccc1C#N ZINC001753074865 1440290835 /nfs/dbraw/zinc/29/08/35/1440290835.db2.gz ULLPVHBIOMBTOP-UHFFFAOYSA-N 1 2 333.435 3.297 20 30 EGEDLO C[C@H]1CCCC[C@H]1C(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1 ZINC001753158927 1440332400 /nfs/dbraw/zinc/33/24/00/1440332400.db2.gz AVKMYEWJADUARE-OXJNMPFZSA-N 1 2 339.483 3.465 20 30 EGEDLO C[C@H]1CCCC[C@H]1C(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1 ZINC001753158927 1440332401 /nfs/dbraw/zinc/33/24/01/1440332401.db2.gz AVKMYEWJADUARE-OXJNMPFZSA-N 1 2 339.483 3.465 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)OC2CCCCC2)C1 ZINC001753437895 1440400627 /nfs/dbraw/zinc/40/06/27/1440400627.db2.gz OSVRLLNUPKCFLL-WBVHZDCISA-N 1 2 342.911 3.400 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)OC2CCCCC2)C1 ZINC001753437895 1440400628 /nfs/dbraw/zinc/40/06/28/1440400628.db2.gz OSVRLLNUPKCFLL-WBVHZDCISA-N 1 2 342.911 3.400 20 30 EGEDLO C=C[C@H](CC)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ncc(C(C)C)o2)C1 ZINC001753441028 1440401666 /nfs/dbraw/zinc/40/16/66/1440401666.db2.gz ASRIMXADVSJJJQ-HZPDHXFCSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C[C@H](CC)CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ncc(C(C)C)o2)C1 ZINC001753441028 1440401667 /nfs/dbraw/zinc/40/16/67/1440401667.db2.gz ASRIMXADVSJJJQ-HZPDHXFCSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C[C@H](CC)CC(=O)N(C)[C@H]1CC[N@H+](Cc2ncoc2C(C)C)C1 ZINC001753441322 1440401813 /nfs/dbraw/zinc/40/18/13/1440401813.db2.gz HFGYRUJRBIJAFA-CVEARBPZSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C[C@H](CC)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001753441322 1440401814 /nfs/dbraw/zinc/40/18/14/1440401814.db2.gz HFGYRUJRBIJAFA-CVEARBPZSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H](C)C[N@H+](C)Cc1noc2c1CCCC2 ZINC001754324039 1440579464 /nfs/dbraw/zinc/57/94/64/1440579464.db2.gz XSFDHOUVCKMYKH-KUHUBIRLSA-N 1 2 333.476 3.092 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H](C)C[N@@H+](C)Cc1noc2c1CCCC2 ZINC001754324039 1440579465 /nfs/dbraw/zinc/57/94/65/1440579465.db2.gz XSFDHOUVCKMYKH-KUHUBIRLSA-N 1 2 333.476 3.092 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)COc1c(C)cc(C)cc1C ZINC001754333383 1440585253 /nfs/dbraw/zinc/58/52/53/1440585253.db2.gz NLCULTJSBBPRJG-INIZCTEOSA-N 1 2 338.879 3.180 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)COc1c(C)cc(C)cc1C ZINC001754333383 1440585254 /nfs/dbraw/zinc/58/52/54/1440585254.db2.gz NLCULTJSBBPRJG-INIZCTEOSA-N 1 2 338.879 3.180 20 30 EGEDLO C#CCC1(C(=O)N[C@H](C)C[N@H+](C)[C@H](C)c2ncc(C)o2)CCCCC1 ZINC001754336238 1440586737 /nfs/dbraw/zinc/58/67/37/1440586737.db2.gz KIRYNOZXWYKDQB-NVXWUHKLSA-N 1 2 345.487 3.454 20 30 EGEDLO C#CCC1(C(=O)N[C@H](C)C[N@@H+](C)[C@H](C)c2ncc(C)o2)CCCCC1 ZINC001754336238 1440586738 /nfs/dbraw/zinc/58/67/38/1440586738.db2.gz KIRYNOZXWYKDQB-NVXWUHKLSA-N 1 2 345.487 3.454 20 30 EGEDLO C#CCC1(C(=O)N[C@@H](C)C[N@H+](C)[C@H](C)c2ncc(C)o2)CCCCC1 ZINC001754336237 1440586839 /nfs/dbraw/zinc/58/68/39/1440586839.db2.gz KIRYNOZXWYKDQB-DOTOQJQBSA-N 1 2 345.487 3.454 20 30 EGEDLO C#CCC1(C(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)c2ncc(C)o2)CCCCC1 ZINC001754336237 1440586840 /nfs/dbraw/zinc/58/68/40/1440586840.db2.gz KIRYNOZXWYKDQB-DOTOQJQBSA-N 1 2 345.487 3.454 20 30 EGEDLO C=CCC1(C(=O)NCC2([NH2+]Cc3ncc(C4CC4)o3)CC2)CCC1 ZINC001754524168 1440620421 /nfs/dbraw/zinc/62/04/21/1440620421.db2.gz WGSQTCQPNDTTPG-UHFFFAOYSA-N 1 2 329.444 3.037 20 30 EGEDLO CN(C(=O)CC#Cc1ccccc1)C1C[NH+](C/C=C/c2ccccc2)C1 ZINC001754587172 1440640115 /nfs/dbraw/zinc/64/01/15/1440640115.db2.gz DSKLNVFDKBFAGS-OQLLNIDSSA-N 1 2 344.458 3.284 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H](C[NH2+][C@@H](C)c1noc(C)n1)C1CCCC1 ZINC001754654178 1440652953 /nfs/dbraw/zinc/65/29/53/1440652953.db2.gz CZPCZMSOEFZXPT-XJKSGUPXSA-N 1 2 348.491 3.306 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncc(C(C)C)o1 ZINC001754658953 1440654341 /nfs/dbraw/zinc/65/43/41/1440654341.db2.gz XCJMMLDSMUFFJW-SJORKVTESA-N 1 2 343.471 3.023 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncc(C(C)C)o1 ZINC001754658953 1440654342 /nfs/dbraw/zinc/65/43/42/1440654342.db2.gz XCJMMLDSMUFFJW-SJORKVTESA-N 1 2 343.471 3.023 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001754682949 1440663433 /nfs/dbraw/zinc/66/34/33/1440663433.db2.gz PTXMZDXJQMCWJK-PXAZEXFGSA-N 1 2 342.817 3.401 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001754682949 1440663434 /nfs/dbraw/zinc/66/34/34/1440663434.db2.gz PTXMZDXJQMCWJK-PXAZEXFGSA-N 1 2 342.817 3.401 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@]1(C)CCC[N@@H+](Cc2nc(C(C)C)no2)C1 ZINC001754728400 1440677792 /nfs/dbraw/zinc/67/77/92/1440677792.db2.gz VBNBJKXNDBHCKY-LJQANCHMSA-N 1 2 348.491 3.268 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@]1(C)CCC[N@H+](Cc2nc(C(C)C)no2)C1 ZINC001754728400 1440677793 /nfs/dbraw/zinc/67/77/93/1440677793.db2.gz VBNBJKXNDBHCKY-LJQANCHMSA-N 1 2 348.491 3.268 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2csnn2)CC1 ZINC001755028898 1440730426 /nfs/dbraw/zinc/73/04/26/1440730426.db2.gz JLKLTECWRFBTEO-UONOGXRCSA-N 1 2 336.505 3.172 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2csnn2)CC1 ZINC001755028898 1440730427 /nfs/dbraw/zinc/73/04/27/1440730427.db2.gz JLKLTECWRFBTEO-UONOGXRCSA-N 1 2 336.505 3.172 20 30 EGEDLO CC(C(=O)NC[C@@H](C)[N@H+](C)Cc1cc(F)ccc1C#N)=C1CCC1 ZINC001755300107 1440808319 /nfs/dbraw/zinc/80/83/19/1440808319.db2.gz ZAYOJSGZFXHSEB-CYBMUJFWSA-N 1 2 329.419 3.134 20 30 EGEDLO CC(C(=O)NC[C@@H](C)[N@@H+](C)Cc1cc(F)ccc1C#N)=C1CCC1 ZINC001755300107 1440808320 /nfs/dbraw/zinc/80/83/20/1440808320.db2.gz ZAYOJSGZFXHSEB-CYBMUJFWSA-N 1 2 329.419 3.134 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H](C)[N@H+](C)Cc1noc2c1CC(C)(C)CC2 ZINC001755311514 1440813647 /nfs/dbraw/zinc/81/36/47/1440813647.db2.gz PYPPJPGQQJUTPT-CQSZACIVSA-N 1 2 347.503 3.338 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1noc2c1CC(C)(C)CC2 ZINC001755311514 1440813648 /nfs/dbraw/zinc/81/36/48/1440813648.db2.gz PYPPJPGQQJUTPT-CQSZACIVSA-N 1 2 347.503 3.338 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H](C)[N@H+](C)Cc2noc3c2CCCC3)CC1 ZINC001755314158 1440814730 /nfs/dbraw/zinc/81/47/30/1440814730.db2.gz BLZUHLOZLHVMIB-OAHLLOKOSA-N 1 2 345.487 3.236 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H](C)[N@@H+](C)Cc2noc3c2CCCC3)CC1 ZINC001755314158 1440814731 /nfs/dbraw/zinc/81/47/31/1440814731.db2.gz BLZUHLOZLHVMIB-OAHLLOKOSA-N 1 2 345.487 3.236 20 30 EGEDLO CCc1cnc(C[N@@H+]2CCCCC[C@@H]2CNC(=O)C#CC(C)(C)C)o1 ZINC001755364847 1440833882 /nfs/dbraw/zinc/83/38/82/1440833882.db2.gz ZPQGWDGTDULOBZ-MRXNPFEDSA-N 1 2 345.487 3.147 20 30 EGEDLO CCc1cnc(C[N@H+]2CCCCC[C@@H]2CNC(=O)C#CC(C)(C)C)o1 ZINC001755364847 1440833883 /nfs/dbraw/zinc/83/38/83/1440833883.db2.gz ZPQGWDGTDULOBZ-MRXNPFEDSA-N 1 2 345.487 3.147 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@@H](C)[NH2+]Cc2nc(C3CCC3)no2)CC1 ZINC001755604992 1440885123 /nfs/dbraw/zinc/88/51/23/1440885123.db2.gz GAFMHTFEVIQHNB-CQSZACIVSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)c2nc(C(C)C)no2)CC1 ZINC001755606085 1440885564 /nfs/dbraw/zinc/88/55/64/1440885564.db2.gz NAPJVQSVOFWJFX-CABCVRRESA-N 1 2 348.491 3.437 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)CCCC#CC)[C@@H]1C ZINC001755717298 1440905561 /nfs/dbraw/zinc/90/55/61/1440905561.db2.gz ROGKTWFKLDEDFK-LSDHHAIUSA-N 1 2 341.293 3.058 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)CCCC#CC)[C@@H]1C ZINC001755717298 1440905562 /nfs/dbraw/zinc/90/55/62/1440905562.db2.gz ROGKTWFKLDEDFK-LSDHHAIUSA-N 1 2 341.293 3.058 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2nc3c(o2)CCCC3)[C@@H]1C ZINC001755718399 1440906435 /nfs/dbraw/zinc/90/64/35/1440906435.db2.gz ZORWKHPDRAPFAO-CABCVRRESA-N 1 2 345.487 3.235 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2nc3c(o2)CCCC3)[C@@H]1C ZINC001755718399 1440906436 /nfs/dbraw/zinc/90/64/36/1440906436.db2.gz ZORWKHPDRAPFAO-CABCVRRESA-N 1 2 345.487 3.235 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)C(C)(C)C2CC2)CC1 ZINC001755892998 1440942101 /nfs/dbraw/zinc/94/21/01/1440942101.db2.gz DKTVPOWTGRAWSX-UHFFFAOYSA-N 1 2 341.293 3.080 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)C(C)(C)C2CC2)CC1 ZINC001755892998 1440942102 /nfs/dbraw/zinc/94/21/02/1440942102.db2.gz DKTVPOWTGRAWSX-UHFFFAOYSA-N 1 2 341.293 3.080 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)c1 ZINC000054363326 214233906 /nfs/dbraw/zinc/23/39/06/214233906.db2.gz BDIDBXCHMSFKDK-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)c1 ZINC000054363326 214233909 /nfs/dbraw/zinc/23/39/09/214233909.db2.gz BDIDBXCHMSFKDK-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(SC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066559610 215054256 /nfs/dbraw/zinc/05/42/56/215054256.db2.gz GMCHQJAOENTDAB-ZDUSSCGKSA-N 1 2 347.452 3.176 20 30 EGEDLO C=CC[N@H+](Cc1ccc(SC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066559610 215054257 /nfs/dbraw/zinc/05/42/57/215054257.db2.gz GMCHQJAOENTDAB-ZDUSSCGKSA-N 1 2 347.452 3.176 20 30 EGEDLO Cc1ccc([C@H](CNc2cccc(F)c2C#N)[NH+]2CCOCC2)o1 ZINC000040018063 213251362 /nfs/dbraw/zinc/25/13/62/213251362.db2.gz FFPZRXHPLIGPDR-KRWDZBQOSA-N 1 2 329.375 3.084 20 30 EGEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCc4ccc(F)cc4C3)C2=O)cc1 ZINC000352767484 283158191 /nfs/dbraw/zinc/15/81/91/283158191.db2.gz BGVUQQXATFOPIU-HXUWFJFHSA-N 1 2 349.409 3.251 20 30 EGEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCc4ccc(F)cc4C3)C2=O)cc1 ZINC000352767484 283158193 /nfs/dbraw/zinc/15/81/93/283158193.db2.gz BGVUQQXATFOPIU-HXUWFJFHSA-N 1 2 349.409 3.251 20 30 EGEDLO N#Cc1ccccc1OCC[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000187027114 236098224 /nfs/dbraw/zinc/09/82/24/236098224.db2.gz HCIQIPSGARFSCY-AWEZNQCLSA-N 1 2 331.466 3.184 20 30 EGEDLO N#Cc1ccccc1OCC[N@H+]1CCSC[C@H]1c1nccs1 ZINC000187027114 236098226 /nfs/dbraw/zinc/09/82/26/236098226.db2.gz HCIQIPSGARFSCY-AWEZNQCLSA-N 1 2 331.466 3.184 20 30 EGEDLO COc1ccc([C@H](CO)[N@H+](C)Cc2ccc(Cl)cc2C#N)cc1 ZINC000187035109 236100209 /nfs/dbraw/zinc/10/02/09/236100209.db2.gz ZQOITNNRRSJYLB-SFHVURJKSA-N 1 2 330.815 3.386 20 30 EGEDLO COc1ccc([C@H](CO)[N@@H+](C)Cc2ccc(Cl)cc2C#N)cc1 ZINC000187035109 236100211 /nfs/dbraw/zinc/10/02/11/236100211.db2.gz ZQOITNNRRSJYLB-SFHVURJKSA-N 1 2 330.815 3.386 20 30 EGEDLO COCCN(C)c1ccc(CNc2ccc(Cl)c(C#N)c2)c[nH+]1 ZINC000191836629 239331094 /nfs/dbraw/zinc/33/10/94/239331094.db2.gz GNIKVMURCQQQQZ-UHFFFAOYSA-N 1 2 330.819 3.301 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](OCCC(C)C)C2)c(C#N)c1C ZINC000246464542 243258469 /nfs/dbraw/zinc/25/84/69/243258469.db2.gz NQFFHHNMWDFMFN-GDBMZVCRSA-N 1 2 347.459 3.232 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](OCCC(C)C)C2)c(C#N)c1C ZINC000246464542 243258473 /nfs/dbraw/zinc/25/84/73/243258473.db2.gz NQFFHHNMWDFMFN-GDBMZVCRSA-N 1 2 347.459 3.232 20 30 EGEDLO CC(C)[C@@]1(CO)CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000377669764 169056899 /nfs/dbraw/zinc/05/68/99/169056899.db2.gz IEQLIDUQAVKQPF-INIZCTEOSA-N 1 2 337.261 3.161 20 30 EGEDLO CC(C)[C@@]1(CO)CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000377669764 169056900 /nfs/dbraw/zinc/05/69/00/169056900.db2.gz IEQLIDUQAVKQPF-INIZCTEOSA-N 1 2 337.261 3.161 20 30 EGEDLO Cc1nnc(NCc2[nH+]ccn2CCc2ccccc2)c(C#N)c1C ZINC000267530459 251132622 /nfs/dbraw/zinc/13/26/22/251132622.db2.gz KLDPKOVBGNBEHQ-UHFFFAOYSA-N 1 2 332.411 3.016 20 30 EGEDLO CCc1nc([C@H](C)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)cs1 ZINC000267681159 251249846 /nfs/dbraw/zinc/24/98/46/251249846.db2.gz MJKCMAGMNRYYDW-CMPLNLGQSA-N 1 2 346.481 3.095 20 30 EGEDLO CCN(CC)c1ccc(CNC(=O)Nc2ccc(F)cc2C#N)c[nH+]1 ZINC000097472983 219027288 /nfs/dbraw/zinc/02/72/88/219027288.db2.gz MCAUIEJZMKBEJL-UHFFFAOYSA-N 1 2 341.390 3.260 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000341977082 269725305 /nfs/dbraw/zinc/72/53/05/269725305.db2.gz MARXNPSTVSQBIQ-UHFFFAOYSA-N 1 2 348.244 3.073 20 30 EGEDLO CSCC[C@H]([NH2+]Cc1ccccc1C#N)c1nnc2ccccn21 ZINC000159650448 533655159 /nfs/dbraw/zinc/65/51/59/533655159.db2.gz KVJMIGOAHWACQT-INIZCTEOSA-N 1 2 337.452 3.185 20 30 EGEDLO C=CCN(CC=C)C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000298672823 132396212 /nfs/dbraw/zinc/39/62/12/132396212.db2.gz SMFVFRPRBFKYKO-UHFFFAOYSA-N 1 2 328.460 3.202 20 30 EGEDLO COCc1nc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cs1 ZINC000347951526 141223948 /nfs/dbraw/zinc/22/39/48/141223948.db2.gz APBCCPJZFSGXIZ-UHFFFAOYSA-N 1 2 325.437 3.450 20 30 EGEDLO COCc1nc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cs1 ZINC000347951526 141223949 /nfs/dbraw/zinc/22/39/49/141223949.db2.gz APBCCPJZFSGXIZ-UHFFFAOYSA-N 1 2 325.437 3.450 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000185328602 144111013 /nfs/dbraw/zinc/11/10/13/144111013.db2.gz BKBPHPAEMVHRPL-GFCCVEGCSA-N 1 2 347.390 3.326 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000185328602 144111014 /nfs/dbraw/zinc/11/10/14/144111014.db2.gz BKBPHPAEMVHRPL-GFCCVEGCSA-N 1 2 347.390 3.326 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000361608768 144337201 /nfs/dbraw/zinc/33/72/01/144337201.db2.gz VGSDHMGQYACPMP-INIZCTEOSA-N 1 2 349.434 3.133 20 30 EGEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000120596640 152287930 /nfs/dbraw/zinc/28/79/30/152287930.db2.gz PEEQMFXIHWYUFQ-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000191850410 153226426 /nfs/dbraw/zinc/22/64/26/153226426.db2.gz HUESJINWXKCKJT-CYBMUJFWSA-N 1 2 346.427 3.294 20 30 EGEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000191850410 153226431 /nfs/dbraw/zinc/22/64/31/153226431.db2.gz HUESJINWXKCKJT-CYBMUJFWSA-N 1 2 346.427 3.294 20 30 EGEDLO C[C@@H](c1cnn(C)c1)[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000346972224 156224818 /nfs/dbraw/zinc/22/48/18/156224818.db2.gz SEUKVAPCLANSLM-NSHDSACASA-N 1 2 333.233 3.247 20 30 EGEDLO C[C@@H](c1cnn(C)c1)[N@H+](C)Cc1ccc(Br)cc1C#N ZINC000346972224 156224817 /nfs/dbraw/zinc/22/48/17/156224817.db2.gz SEUKVAPCLANSLM-NSHDSACASA-N 1 2 333.233 3.247 20 30 EGEDLO Cn1c2ccc(NC(=O)c3cnccc3C#N)cc2[nH+]c1C(C)(C)C ZINC000343694922 164014321 /nfs/dbraw/zinc/01/43/21/164014321.db2.gz VZKBWTIVLLSXQO-UHFFFAOYSA-N 1 2 333.395 3.390 20 30 EGEDLO N#Cc1ccc(C[NH2+][C@@H](C(=O)N2CCCCC2)c2ccccc2)s1 ZINC000344212729 164128003 /nfs/dbraw/zinc/12/80/03/164128003.db2.gz MTHSBZNTILGXCX-GOSISDBHSA-N 1 2 339.464 3.463 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1nc2ccccc2o1 ZINC000346494161 164386770 /nfs/dbraw/zinc/38/67/70/164386770.db2.gz RFYJXOXTHVBVIL-CYBMUJFWSA-N 1 2 334.379 3.158 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1nc2ccccc2o1 ZINC000346494161 164386772 /nfs/dbraw/zinc/38/67/72/164386772.db2.gz RFYJXOXTHVBVIL-CYBMUJFWSA-N 1 2 334.379 3.158 20 30 EGEDLO Cc1nsc(N2CC[NH+]([C@H](C)c3ccc(F)cc3)CC2)c1C#N ZINC000352174975 165268015 /nfs/dbraw/zinc/26/80/15/165268015.db2.gz DYGWJMWPAOJBDI-CYBMUJFWSA-N 1 2 330.432 3.346 20 30 EGEDLO Cc1nc(NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c(Cl)cc1C#N ZINC000359833535 167244254 /nfs/dbraw/zinc/24/42/54/167244254.db2.gz ACJRRILAPAEISQ-VXGBXAGGSA-N 1 2 336.867 3.215 20 30 EGEDLO CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)[C@@H](CC)CN1C(C)=O ZINC000359881007 167256739 /nfs/dbraw/zinc/25/67/39/167256739.db2.gz SQATZGOAZLBZIL-ROUUACIJSA-N 1 2 333.863 3.433 20 30 EGEDLO CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)[C@@H](CC)CN1C(C)=O ZINC000359881007 167256742 /nfs/dbraw/zinc/25/67/42/167256742.db2.gz SQATZGOAZLBZIL-ROUUACIJSA-N 1 2 333.863 3.433 20 30 EGEDLO C[C@H](C(=O)NCc1ccccc1Cn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000359902482 167262885 /nfs/dbraw/zinc/26/28/85/167262885.db2.gz AWSCCCHPVLHAHN-INIZCTEOSA-N 1 2 344.418 3.223 20 30 EGEDLO COc1cc(C[NH2+]Cc2noc(-c3ccccc3F)n2)ccc1C#N ZINC000367021442 168169175 /nfs/dbraw/zinc/16/91/75/168169175.db2.gz FBNUGYHWHKDVGZ-UHFFFAOYSA-N 1 2 338.342 3.046 20 30 EGEDLO Cc1cc(N2CCN(C(=O)CCC3CCCCC3)CC2)c(C#N)c[nH+]1 ZINC000425216210 269914605 /nfs/dbraw/zinc/91/46/05/269914605.db2.gz PXCCVMZDBMGETH-UHFFFAOYSA-N 1 2 340.471 3.271 20 30 EGEDLO N#Cc1cccnc1OC1CCC(Nc2cc[nH+]c3ccncc23)CC1 ZINC000526084114 269976008 /nfs/dbraw/zinc/97/60/08/269976008.db2.gz KMKGIAQMWVDEQO-UHFFFAOYSA-N 1 2 345.406 3.120 20 30 EGEDLO CC(=O)c1ccc2c(c1)C[N@@H+](CCC(=O)Nc1ccccc1C#N)C2 ZINC000411945464 270046611 /nfs/dbraw/zinc/04/66/11/270046611.db2.gz OGDGAPGLUCSLGN-UHFFFAOYSA-N 1 2 333.391 3.105 20 30 EGEDLO CC(=O)c1ccc2c(c1)C[N@H+](CCC(=O)Nc1ccccc1C#N)C2 ZINC000411945464 270046612 /nfs/dbraw/zinc/04/66/12/270046612.db2.gz OGDGAPGLUCSLGN-UHFFFAOYSA-N 1 2 333.391 3.105 20 30 EGEDLO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1nnc(-c3ccc(F)cc3)[nH]1)CC2 ZINC000517442659 270059317 /nfs/dbraw/zinc/05/93/17/270059317.db2.gz ZLXHNXOQOYMRKI-KRWDZBQOSA-N 1 2 333.370 3.260 20 30 EGEDLO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1nc(-c3ccc(F)cc3)n[nH]1)CC2 ZINC000517442659 270059318 /nfs/dbraw/zinc/05/93/18/270059318.db2.gz ZLXHNXOQOYMRKI-KRWDZBQOSA-N 1 2 333.370 3.260 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNc1c(C#N)cnc3c(C)cc(F)cc31)CCC2 ZINC000533560861 270060676 /nfs/dbraw/zinc/06/06/76/270060676.db2.gz VKBYXGNPJXFPLN-AWEZNQCLSA-N 1 2 349.413 3.470 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Nc1ccc(C#N)cc1Cl)CCC2 ZINC000533568057 270060785 /nfs/dbraw/zinc/06/07/85/270060785.db2.gz CPTPXYPFKVOYMD-ZDUSSCGKSA-N 1 2 343.818 3.416 20 30 EGEDLO CC(C)c1noc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)n1 ZINC000285385125 265933080 /nfs/dbraw/zinc/93/30/80/265933080.db2.gz CXRISQFPFJTUBE-UHFFFAOYSA-N 1 2 344.390 3.247 20 30 EGEDLO CC(=O)c1ccc(C#N)c(N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1 ZINC000273266006 267009190 /nfs/dbraw/zinc/00/91/90/267009190.db2.gz YRPLJZQXZUQVEI-OAHLLOKOSA-N 1 2 334.423 3.039 20 30 EGEDLO CC[N@H+](CCCNC(=O)NCc1ccc(C#N)s1)c1ccccc1 ZINC000420770659 267064051 /nfs/dbraw/zinc/06/40/51/267064051.db2.gz ZLLDBSXMWNJCDK-UHFFFAOYSA-N 1 2 342.468 3.336 20 30 EGEDLO CC[N@@H+](CCCNC(=O)NCc1ccc(C#N)s1)c1ccccc1 ZINC000420770659 267064052 /nfs/dbraw/zinc/06/40/52/267064052.db2.gz ZLLDBSXMWNJCDK-UHFFFAOYSA-N 1 2 342.468 3.336 20 30 EGEDLO N#Cc1ccc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000272719168 268028542 /nfs/dbraw/zinc/02/85/42/268028542.db2.gz ZDJGNOWBPPPICH-SFHVURJKSA-N 1 2 346.390 3.182 20 30 EGEDLO N#Cc1ccc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000272719168 268028545 /nfs/dbraw/zinc/02/85/45/268028545.db2.gz ZDJGNOWBPPPICH-SFHVURJKSA-N 1 2 346.390 3.182 20 30 EGEDLO Cc1[nH+]c2cc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)ccc2n1C ZINC000527467798 268079105 /nfs/dbraw/zinc/07/91/05/268079105.db2.gz JPXNPFBQBBDFOC-INIZCTEOSA-N 1 2 343.390 3.074 20 30 EGEDLO Cc1noc(C[C@H]([NH2+]Cc2ccc(F)cc2C#N)c2ccccc2)n1 ZINC000429538849 268099006 /nfs/dbraw/zinc/09/90/06/268099006.db2.gz UGIQWTRAJTUOHF-SFHVURJKSA-N 1 2 336.370 3.462 20 30 EGEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCCC[C@@H]3c3cc[nH]n3)C2=O)cc1 ZINC000285366585 268113395 /nfs/dbraw/zinc/11/33/95/268113395.db2.gz MGUGXYZTPGJYLJ-MOPGFXCFSA-N 1 2 349.438 3.004 20 30 EGEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCCC[C@@H]3c3cc[nH]n3)C2=O)cc1 ZINC000285366585 268113396 /nfs/dbraw/zinc/11/33/96/268113396.db2.gz MGUGXYZTPGJYLJ-MOPGFXCFSA-N 1 2 349.438 3.004 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444734619 268181368 /nfs/dbraw/zinc/18/13/68/268181368.db2.gz NPOXFBUMTYFWIN-SMDDNHRTSA-N 1 2 332.753 3.347 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444734619 268181371 /nfs/dbraw/zinc/18/13/71/268181371.db2.gz NPOXFBUMTYFWIN-SMDDNHRTSA-N 1 2 332.753 3.347 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)c(Cl)c1 ZINC000439449843 268217186 /nfs/dbraw/zinc/21/71/86/268217186.db2.gz JRUXUWLBKILQTJ-ZIAGYGMSSA-N 1 2 332.753 3.489 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)c(Cl)c1 ZINC000439449843 268217188 /nfs/dbraw/zinc/21/71/88/268217188.db2.gz JRUXUWLBKILQTJ-ZIAGYGMSSA-N 1 2 332.753 3.489 20 30 EGEDLO N#Cc1cccc(/C=C/C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000298979656 268233154 /nfs/dbraw/zinc/23/31/54/268233154.db2.gz HHBQXSWGGBICOV-CSKARUKUSA-N 1 2 346.434 3.273 20 30 EGEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccc(-c3ccco3)cc2F)C(N)=O)cc1 ZINC000447797198 268262354 /nfs/dbraw/zinc/26/23/54/268262354.db2.gz GWMAAWNBUQNNBC-LJQANCHMSA-N 1 2 349.365 3.274 20 30 EGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000374122151 277367411 /nfs/dbraw/zinc/36/74/11/277367411.db2.gz WMPSEHPBJQCVCF-GOSISDBHSA-N 1 2 338.407 3.019 20 30 EGEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000374122151 277367412 /nfs/dbraw/zinc/36/74/12/277367412.db2.gz WMPSEHPBJQCVCF-GOSISDBHSA-N 1 2 338.407 3.019 20 30 EGEDLO N#Cc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000067555019 307366269 /nfs/dbraw/zinc/36/62/69/307366269.db2.gz VBSGSCGMKMBABS-UHFFFAOYSA-N 1 2 335.342 3.205 20 30 EGEDLO N#Cc1csc(C[NH+]2CCN(C(=O)CCC3CCCC3)CC2)c1 ZINC000130329589 307626778 /nfs/dbraw/zinc/62/67/78/307626778.db2.gz JZSCVTLWTUTPQK-UHFFFAOYSA-N 1 2 331.485 3.234 20 30 EGEDLO N#Cc1ccccc1Oc1ccccc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000538672753 314262958 /nfs/dbraw/zinc/26/29/58/314262958.db2.gz GTHSPXZEVDTLDD-UHFFFAOYSA-N 1 2 344.374 3.244 20 30 EGEDLO Cc1cc(Cl)cc(C[NH+]2CCN(c3cnccc3C#N)CC2)c1 ZINC000552052208 315193861 /nfs/dbraw/zinc/19/38/61/315193861.db2.gz XCDJNLCNKHJVJW-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c2[nH+]ccn21 ZINC000568727345 316814330 /nfs/dbraw/zinc/81/43/30/316814330.db2.gz BYWMHTZVIMPKMV-CXAGYDPISA-N 1 2 335.411 3.135 20 30 EGEDLO C[C@H]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000570204348 317021492 /nfs/dbraw/zinc/02/14/92/317021492.db2.gz RLWNXIJZKKGBFB-BLLLJJGKSA-N 1 2 328.803 3.131 20 30 EGEDLO Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C[C@@H](C)n2cc[nH+]c2)c1C ZINC000575127464 324422651 /nfs/dbraw/zinc/42/26/51/324422651.db2.gz IXDWADVMOBFYLF-CYBMUJFWSA-N 1 2 348.410 3.147 20 30 EGEDLO COC(=O)c1cccc(C[NH2+][C@@H](C)c2nc3c(s2)CCC3)c1C#N ZINC000576718372 324670748 /nfs/dbraw/zinc/67/07/48/324670748.db2.gz PWCTVHJWCAGCGV-NSHDSACASA-N 1 2 341.436 3.141 20 30 EGEDLO CC(C)(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(C#N)cn1 ZINC000579974649 325185842 /nfs/dbraw/zinc/18/58/42/325185842.db2.gz RRFQJTVOCBEQET-UHFFFAOYSA-N 1 2 340.402 3.332 20 30 EGEDLO CC(C)(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(C#N)cn1 ZINC000579974649 325185843 /nfs/dbraw/zinc/18/58/43/325185843.db2.gz RRFQJTVOCBEQET-UHFFFAOYSA-N 1 2 340.402 3.332 20 30 EGEDLO Cc1cc(Cl)c2ncc(C#N)c(N[C@H](C)C[NH+]3CCOCC3)c2c1 ZINC000583215964 325505449 /nfs/dbraw/zinc/50/54/49/325505449.db2.gz GZOAMBUWXPUIEG-CYBMUJFWSA-N 1 2 344.846 3.201 20 30 EGEDLO N#Cc1cc(F)c(N2CCC[C@@H]2Cn2cc[nH+]c2)cc1Br ZINC000583575392 325535400 /nfs/dbraw/zinc/53/54/00/325535400.db2.gz DMDMWMNJVJYMAQ-GFCCVEGCSA-N 1 2 349.207 3.325 20 30 EGEDLO Cc1nc(C2([NH2+]Cc3ccc(OCC#N)cc3)CCCCC2)no1 ZINC000264530661 455230969 /nfs/dbraw/zinc/23/09/69/455230969.db2.gz DEYYYOVNISSTSB-UHFFFAOYSA-N 1 2 326.400 3.230 20 30 EGEDLO N#C[C@H]1CCC[C@@H]([NH2+]Cc2nc3cccc(Br)c3[nH]2)C1 ZINC000449770650 458430886 /nfs/dbraw/zinc/43/08/86/458430886.db2.gz DGOCJYXICAEXLG-WDEREUQCSA-N 1 2 333.233 3.497 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000189974758 455264390 /nfs/dbraw/zinc/26/43/90/455264390.db2.gz ZIAHBXYKRWNFJX-HXUWFJFHSA-N 1 2 330.472 3.332 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162018 460556519 /nfs/dbraw/zinc/55/65/19/460556519.db2.gz JFFRNYVQIPXIQK-KSSFIOAISA-N 1 2 333.863 3.485 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162018 460556524 /nfs/dbraw/zinc/55/65/24/460556524.db2.gz JFFRNYVQIPXIQK-KSSFIOAISA-N 1 2 333.863 3.485 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000007788814 453114356 /nfs/dbraw/zinc/11/43/56/453114356.db2.gz LZVNCOYELAZYCC-UHFFFAOYSA-N 1 2 329.400 3.362 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000007788814 453114364 /nfs/dbraw/zinc/11/43/64/453114364.db2.gz LZVNCOYELAZYCC-UHFFFAOYSA-N 1 2 329.400 3.362 20 30 EGEDLO N#Cc1ccccc1CN1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000022780410 453699200 /nfs/dbraw/zinc/69/92/00/453699200.db2.gz ZKIIHGCISDTEJS-UHFFFAOYSA-N 1 2 348.475 3.486 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1ccc(F)cc1F ZINC000024955530 453752701 /nfs/dbraw/zinc/75/27/01/453752701.db2.gz VGKJBOGKAUKYGA-CYBMUJFWSA-N 1 2 335.398 3.128 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1ccc(F)cc1F ZINC000024955530 453752704 /nfs/dbraw/zinc/75/27/04/453752704.db2.gz VGKJBOGKAUKYGA-CYBMUJFWSA-N 1 2 335.398 3.128 20 30 EGEDLO Cc1cccc(N2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)c1 ZINC000027383006 453816156 /nfs/dbraw/zinc/81/61/56/453816156.db2.gz APRDLTBRBJFGPT-KRWDZBQOSA-N 1 2 348.450 3.016 20 30 EGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000029225103 453827498 /nfs/dbraw/zinc/82/74/98/453827498.db2.gz XTTBQDBUCVNUSW-UHFFFAOYSA-N 1 2 342.830 3.399 20 30 EGEDLO Cc1cc(C)c(NC(=O)CO[NH+]=C(N)c2ccc(C)c(F)c2)c(C)c1 ZINC000054269323 453919853 /nfs/dbraw/zinc/91/98/53/453919853.db2.gz YKLFVSDWOHEYOA-UHFFFAOYSA-N 1 2 343.402 3.335 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1nc(-c2ccccn2)no1 ZINC000076153953 453972543 /nfs/dbraw/zinc/97/25/43/453972543.db2.gz NHHARLNLUQMROR-FUHWJXTLSA-N 1 2 345.406 3.403 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1nc(-c2ccccn2)no1 ZINC000076153953 453972546 /nfs/dbraw/zinc/97/25/46/453972546.db2.gz NHHARLNLUQMROR-FUHWJXTLSA-N 1 2 345.406 3.403 20 30 EGEDLO CC[N@H+](CCCNC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000042321158 454006004 /nfs/dbraw/zinc/00/60/04/454006004.db2.gz CHPAWRRADNVDQR-UHFFFAOYSA-N 1 2 336.439 3.274 20 30 EGEDLO CC[N@@H+](CCCNC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000042321158 454006007 /nfs/dbraw/zinc/00/60/07/454006007.db2.gz CHPAWRRADNVDQR-UHFFFAOYSA-N 1 2 336.439 3.274 20 30 EGEDLO C[C@]1(C#N)CCCN(Cc2c[nH+]c3ccc(Br)cn23)C1 ZINC000612406892 460622241 /nfs/dbraw/zinc/62/22/41/460622241.db2.gz WJNOPFJNJKUMJT-OAHLLOKOSA-N 1 2 333.233 3.222 20 30 EGEDLO CCc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000043333764 454057164 /nfs/dbraw/zinc/05/71/64/454057164.db2.gz BJKKQJAAIAZDAT-UHFFFAOYSA-N 1 2 348.450 3.470 20 30 EGEDLO CC(=O)Nc1cccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC000088524686 454110408 /nfs/dbraw/zinc/11/04/08/454110408.db2.gz ROLNTUUOYHCPKD-NRFANRHFSA-N 1 2 348.450 3.027 20 30 EGEDLO N#Cc1nnc2ccccc2c1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000077487969 454112259 /nfs/dbraw/zinc/11/22/59/454112259.db2.gz IMXSPIMJBORSGP-UHFFFAOYSA-N 1 2 330.395 3.109 20 30 EGEDLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2ccccc2)no1 ZINC000045003646 454132508 /nfs/dbraw/zinc/13/25/08/454132508.db2.gz UZAIOMOITKKWRG-SFHVURJKSA-N 1 2 338.411 3.067 20 30 EGEDLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2ccccc2)no1 ZINC000045003646 454132512 /nfs/dbraw/zinc/13/25/12/454132512.db2.gz UZAIOMOITKKWRG-SFHVURJKSA-N 1 2 338.411 3.067 20 30 EGEDLO N#Cc1c(F)cccc1N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000070793839 454177233 /nfs/dbraw/zinc/17/72/33/454177233.db2.gz RJVYJLWHNDCLJL-LJQANCHMSA-N 1 2 325.387 3.183 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000094169095 454192449 /nfs/dbraw/zinc/19/24/49/454192449.db2.gz ZNQPMTNLJVVHBM-AWEZNQCLSA-N 1 2 326.831 3.490 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H]2c2cccn2C)c(C#N)c1C ZINC000078729039 454306719 /nfs/dbraw/zinc/30/67/19/454306719.db2.gz SSQKIJUBJHIKLI-INIZCTEOSA-N 1 2 342.468 3.351 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccn2C)c(C#N)c1C ZINC000078729039 454306724 /nfs/dbraw/zinc/30/67/24/454306724.db2.gz SSQKIJUBJHIKLI-INIZCTEOSA-N 1 2 342.468 3.351 20 30 EGEDLO COCCC1(C[NH2+][C@@H](C(=O)OC)c2cccc(C#N)c2)CCCCC1 ZINC000184723280 455437213 /nfs/dbraw/zinc/43/72/13/455437213.db2.gz ORDRHBGNJFHDBS-GOSISDBHSA-N 1 2 344.455 3.349 20 30 EGEDLO CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000132165602 454318099 /nfs/dbraw/zinc/31/80/99/454318099.db2.gz NNXBRKUSZMMMPQ-OAHLLOKOSA-N 1 2 333.844 3.322 20 30 EGEDLO CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000132165602 454318102 /nfs/dbraw/zinc/31/81/02/454318102.db2.gz NNXBRKUSZMMMPQ-OAHLLOKOSA-N 1 2 333.844 3.322 20 30 EGEDLO N#Cc1cc(NCc2cccc(Cn3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000097144453 454416454 /nfs/dbraw/zinc/41/64/54/454416454.db2.gz QLMHYTXQDIHVHB-UHFFFAOYSA-N 1 2 333.351 3.323 20 30 EGEDLO C=CCn1c(SCCn2cc[nH+]c2)nc2sc(C)c(C)c2c1=O ZINC000121838255 454483131 /nfs/dbraw/zinc/48/31/31/454483131.db2.gz HZGTZQABQYEGBX-UHFFFAOYSA-N 1 2 346.481 3.250 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(CC#N)c1)c1ccccc1 ZINC000049612711 454553286 /nfs/dbraw/zinc/55/32/86/454553286.db2.gz WAPNUJBFELXKKV-GOSISDBHSA-N 1 2 330.391 3.006 20 30 EGEDLO CC[N@H+](CCCNC(=O)CNc1ccc(C#N)cc1)c1ccccc1 ZINC000050026270 454568977 /nfs/dbraw/zinc/56/89/77/454568977.db2.gz PRZZOAJGPAZGKP-UHFFFAOYSA-N 1 2 336.439 3.003 20 30 EGEDLO CC[N@@H+](CCCNC(=O)CNc1ccc(C#N)cc1)c1ccccc1 ZINC000050026270 454568982 /nfs/dbraw/zinc/56/89/82/454568982.db2.gz PRZZOAJGPAZGKP-UHFFFAOYSA-N 1 2 336.439 3.003 20 30 EGEDLO C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104716031 454597444 /nfs/dbraw/zinc/59/74/44/454597444.db2.gz GJOQQSKFMQBUQU-ZDUSSCGKSA-N 1 2 338.411 3.423 20 30 EGEDLO Cc1cccn2cc(CCNc3c(C#N)nnc4ccccc43)[nH+]c12 ZINC000080675969 454617140 /nfs/dbraw/zinc/61/71/40/454617140.db2.gz HFMZRYXGXYLRDT-UHFFFAOYSA-N 1 2 328.379 3.112 20 30 EGEDLO C=CCOc1ccccc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000123345442 454627876 /nfs/dbraw/zinc/62/78/76/454627876.db2.gz MPXPGLQGJTUPFZ-DOTOQJQBSA-N 1 2 325.412 3.171 20 30 EGEDLO N#Cc1ccsc1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000052035555 454649995 /nfs/dbraw/zinc/64/99/95/454649995.db2.gz MAPSYMQBQMJXEN-UHFFFAOYSA-N 1 2 340.452 3.325 20 30 EGEDLO C[C@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000123702442 454667710 /nfs/dbraw/zinc/66/77/10/454667710.db2.gz QRCGFWNXKZJQFF-OAHLLOKOSA-N 1 2 345.443 3.030 20 30 EGEDLO CC[C@@]1(C)C[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CCO1 ZINC000135609360 454694242 /nfs/dbraw/zinc/69/42/42/454694242.db2.gz CPNVZRNHNBQOLF-SJCJKPOMSA-N 1 2 335.835 3.040 20 30 EGEDLO CC[C@@]1(C)C[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CCO1 ZINC000135609360 454694246 /nfs/dbraw/zinc/69/42/46/454694246.db2.gz CPNVZRNHNBQOLF-SJCJKPOMSA-N 1 2 335.835 3.040 20 30 EGEDLO C=CCc1cc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)cc(OC)c1O ZINC000093841402 454740215 /nfs/dbraw/zinc/74/02/15/454740215.db2.gz DFXNHWYPCGUWEQ-GOSISDBHSA-N 1 2 329.396 3.296 20 30 EGEDLO C=CCc1cc(C[N@H+]2CCO[C@@H](c3ccco3)C2)cc(OC)c1O ZINC000093841402 454740221 /nfs/dbraw/zinc/74/02/21/454740221.db2.gz DFXNHWYPCGUWEQ-GOSISDBHSA-N 1 2 329.396 3.296 20 30 EGEDLO C[C@H](CC#N)[N@H+](C)CCC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000161991393 454743848 /nfs/dbraw/zinc/74/38/48/454743848.db2.gz MKQQOXUTTAJRAZ-MRXNPFEDSA-N 1 2 349.434 3.480 20 30 EGEDLO C[C@H](CC#N)[N@@H+](C)CCC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000161991393 454743852 /nfs/dbraw/zinc/74/38/52/454743852.db2.gz MKQQOXUTTAJRAZ-MRXNPFEDSA-N 1 2 349.434 3.480 20 30 EGEDLO C=CCN(CC1CCCCC1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000153250126 454774405 /nfs/dbraw/zinc/77/44/05/454774405.db2.gz LXYNGSSJELFFKH-SFHVURJKSA-N 1 2 342.487 3.438 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccccc1F ZINC000108449849 454798279 /nfs/dbraw/zinc/79/82/79/454798279.db2.gz IHJMQBRMMZNQFG-UHFFFAOYSA-N 1 2 330.378 3.269 20 30 EGEDLO C=CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccccc1F ZINC000108449849 454798282 /nfs/dbraw/zinc/79/82/82/454798282.db2.gz IHJMQBRMMZNQFG-UHFFFAOYSA-N 1 2 330.378 3.269 20 30 EGEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C1(C#N)CCCCC1 ZINC000126258490 454880971 /nfs/dbraw/zinc/88/09/71/454880971.db2.gz QKOFDIXNVSPRQK-UHFFFAOYSA-N 1 2 341.455 3.240 20 30 EGEDLO Cc1ccc(C#N)c(N2CC[NH+](Cc3ccc(Cl)s3)CC2)n1 ZINC000127543328 454975328 /nfs/dbraw/zinc/97/53/28/454975328.db2.gz MDYMJGVVOJBXIF-UHFFFAOYSA-N 1 2 332.860 3.299 20 30 EGEDLO N#CCC[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC000178825929 454982027 /nfs/dbraw/zinc/98/20/27/454982027.db2.gz URTYBALOGAXREZ-KRWDZBQOSA-N 1 2 333.395 3.179 20 30 EGEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000155286476 454983583 /nfs/dbraw/zinc/98/35/83/454983583.db2.gz RJPWCRAEHPFKRT-ROUUACIJSA-N 1 2 340.471 3.420 20 30 EGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000155286476 454983585 /nfs/dbraw/zinc/98/35/85/454983585.db2.gz RJPWCRAEHPFKRT-ROUUACIJSA-N 1 2 340.471 3.420 20 30 EGEDLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000127820740 455001379 /nfs/dbraw/zinc/00/13/79/455001379.db2.gz OLPZXKDJXXULFJ-LBPRGKRZSA-N 1 2 328.803 3.238 20 30 EGEDLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000127820740 455001382 /nfs/dbraw/zinc/00/13/82/455001382.db2.gz OLPZXKDJXXULFJ-LBPRGKRZSA-N 1 2 328.803 3.238 20 30 EGEDLO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000127909454 455008725 /nfs/dbraw/zinc/00/87/25/455008725.db2.gz DUQMOOPFSCFCNK-LBPRGKRZSA-N 1 2 328.803 3.238 20 30 EGEDLO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000127909454 455008730 /nfs/dbraw/zinc/00/87/30/455008730.db2.gz DUQMOOPFSCFCNK-LBPRGKRZSA-N 1 2 328.803 3.238 20 30 EGEDLO Oc1cccc(N2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)c1 ZINC000151883716 455044776 /nfs/dbraw/zinc/04/47/76/455044776.db2.gz AIEDUZMXEKJFFZ-UHFFFAOYSA-N 1 2 326.827 3.219 20 30 EGEDLO C=CC[C@H](C)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000117001641 455077163 /nfs/dbraw/zinc/07/71/63/455077163.db2.gz OMLQHXVMUHEQNO-ARFHVFGLSA-N 1 2 331.460 3.382 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000152210538 455087850 /nfs/dbraw/zinc/08/78/50/455087850.db2.gz PQTHBNDWYHJHGN-AWEZNQCLSA-N 1 2 325.391 3.072 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000152210538 455087852 /nfs/dbraw/zinc/08/78/52/455087852.db2.gz PQTHBNDWYHJHGN-AWEZNQCLSA-N 1 2 325.391 3.072 20 30 EGEDLO N#C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)c(Cl)c1 ZINC000152411362 455115084 /nfs/dbraw/zinc/11/50/84/455115084.db2.gz GWIHPOLIBQURTK-IAQYHMDHSA-N 1 2 349.221 3.133 20 30 EGEDLO COc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000172395529 455151046 /nfs/dbraw/zinc/15/10/46/455151046.db2.gz VPNFCDQUOPEYJS-MRXNPFEDSA-N 1 2 349.434 3.086 20 30 EGEDLO C=CCCC[C@@H](C)NC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000180416535 455165563 /nfs/dbraw/zinc/16/55/63/455165563.db2.gz CGTLRXCLBQXBMX-IEBWSBKVSA-N 1 2 345.487 3.104 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180494740 455182308 /nfs/dbraw/zinc/18/23/08/455182308.db2.gz OBJAELNQXYEJJO-LLVKDONJSA-N 1 2 347.340 3.435 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180494740 455182312 /nfs/dbraw/zinc/18/23/12/455182312.db2.gz OBJAELNQXYEJJO-LLVKDONJSA-N 1 2 347.340 3.435 20 30 EGEDLO C[C@@H](c1cccc(/N=C/c2cccc(O)c2O)c1)[NH+]1CCOCC1 ZINC000264186884 455194725 /nfs/dbraw/zinc/19/47/25/455194725.db2.gz NGQDQEQVCSTONL-ZXOFLVKFSA-N 1 2 326.396 3.242 20 30 EGEDLO C[C@@H](C#N)C[N@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000264762619 455277807 /nfs/dbraw/zinc/27/78/07/455277807.db2.gz ZGHNAJCWWGQUPQ-RYUDHWBXSA-N 1 2 343.500 3.032 20 30 EGEDLO C[C@@H](C#N)C[N@@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000264762619 455277809 /nfs/dbraw/zinc/27/78/09/455277809.db2.gz ZGHNAJCWWGQUPQ-RYUDHWBXSA-N 1 2 343.500 3.032 20 30 EGEDLO CCCOc1ccc(/C=[NH+]/[C@@H]2CCC[C@H](C(=O)N(C)C)C2)c(O)c1 ZINC000265152521 455301755 /nfs/dbraw/zinc/30/17/55/455301755.db2.gz QUIRRSLACLUZMM-REMNUJDTSA-N 1 2 332.444 3.247 20 30 EGEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NCc1ccc(Cl)s1 ZINC000173547269 455303653 /nfs/dbraw/zinc/30/36/53/455303653.db2.gz AGXAGFUFOCVGNN-UHFFFAOYSA-N 1 2 327.881 3.279 20 30 EGEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NCc1ccc(Cl)s1 ZINC000173547269 455303660 /nfs/dbraw/zinc/30/36/60/455303660.db2.gz AGXAGFUFOCVGNN-UHFFFAOYSA-N 1 2 327.881 3.279 20 30 EGEDLO CC(C)CO[C@@H](C)C(N)=[NH+]O[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000174221288 455370880 /nfs/dbraw/zinc/37/08/80/455370880.db2.gz VSPZELGHHRIPGI-LSDHHAIUSA-N 1 2 349.475 3.487 20 30 EGEDLO CC1CCN(c2ccc(CNC(=O)c3ccccc3CC#N)c[nH+]2)CC1 ZINC000600998487 460669986 /nfs/dbraw/zinc/66/99/86/460669986.db2.gz JROJUCVWYHOBAB-UHFFFAOYSA-N 1 2 348.450 3.314 20 30 EGEDLO O=C(NCCCn1cc[nH+]c1)Nc1ccccc1C#Cc1ccccc1 ZINC000175044980 455420833 /nfs/dbraw/zinc/42/08/33/455420833.db2.gz OEOMTLBFKHXTGB-UHFFFAOYSA-N 1 2 344.418 3.495 20 30 EGEDLO COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(F)ccc1C#N ZINC000160445242 455460412 /nfs/dbraw/zinc/46/04/12/455460412.db2.gz FISJXTRAADDDGC-UHFFFAOYSA-N 1 2 342.370 3.075 20 30 EGEDLO COCC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(F)ccc1C#N ZINC000160445242 455460416 /nfs/dbraw/zinc/46/04/16/455460416.db2.gz FISJXTRAADDDGC-UHFFFAOYSA-N 1 2 342.370 3.075 20 30 EGEDLO CC(C)(C)n1cc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000191276866 455474033 /nfs/dbraw/zinc/47/40/33/455474033.db2.gz CRIHHTXURANPPL-UHFFFAOYSA-N 1 2 336.361 3.193 20 30 EGEDLO C[C@@H]1C[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)[C@@H]1c1ccccc1 ZINC000246464263 455494470 /nfs/dbraw/zinc/49/44/70/455494470.db2.gz NPPNZFGQZXEKND-COXVUDFISA-N 1 2 337.448 3.418 20 30 EGEDLO C[C@@H]1C[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)[C@@H]1c1ccccc1 ZINC000246464263 455494474 /nfs/dbraw/zinc/49/44/74/455494474.db2.gz NPPNZFGQZXEKND-COXVUDFISA-N 1 2 337.448 3.418 20 30 EGEDLO C=CC[N@@H+](CCOC)Cc1c(Br)cc(OC)cc1OC ZINC000191761063 455516990 /nfs/dbraw/zinc/51/69/90/455516990.db2.gz OOLUKQFIGPYDNX-UHFFFAOYSA-N 1 2 344.249 3.101 20 30 EGEDLO C=CC[N@H+](CCOC)Cc1c(Br)cc(OC)cc1OC ZINC000191761063 455516994 /nfs/dbraw/zinc/51/69/94/455516994.db2.gz OOLUKQFIGPYDNX-UHFFFAOYSA-N 1 2 344.249 3.101 20 30 EGEDLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)s1 ZINC000246792230 455525560 /nfs/dbraw/zinc/52/55/60/455525560.db2.gz PDFDFLOPPHMPNS-SUMWQHHRSA-N 1 2 336.505 3.061 20 30 EGEDLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)s1 ZINC000246792230 455525563 /nfs/dbraw/zinc/52/55/63/455525563.db2.gz PDFDFLOPPHMPNS-SUMWQHHRSA-N 1 2 336.505 3.061 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000246867496 455532565 /nfs/dbraw/zinc/53/25/65/455532565.db2.gz FIBLDKHNBBEKAD-WMZOPIPTSA-N 1 2 345.512 3.093 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000246867496 455532570 /nfs/dbraw/zinc/53/25/70/455532570.db2.gz FIBLDKHNBBEKAD-WMZOPIPTSA-N 1 2 345.512 3.093 20 30 EGEDLO CC1(C)C[N@H+](Cc2ccc(OCC#N)cc2)C[C@@H](C(F)(F)F)O1 ZINC000292227658 455601910 /nfs/dbraw/zinc/60/19/10/455601910.db2.gz NIHINVNJACKFCW-AWEZNQCLSA-N 1 2 328.334 3.131 20 30 EGEDLO CC1(C)C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H](C(F)(F)F)O1 ZINC000292227658 455601915 /nfs/dbraw/zinc/60/19/15/455601915.db2.gz NIHINVNJACKFCW-AWEZNQCLSA-N 1 2 328.334 3.131 20 30 EGEDLO C#CCCCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000268325911 455651823 /nfs/dbraw/zinc/65/18/23/455651823.db2.gz UADVIOXMTFTEIZ-MRXNPFEDSA-N 1 2 344.846 3.266 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1ccc(Br)s1 ZINC000248072354 455677371 /nfs/dbraw/zinc/67/73/71/455677371.db2.gz SRYZISAAIVYDJT-UHFFFAOYSA-N 1 2 343.290 3.143 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1ccc(Br)s1 ZINC000248072354 455677373 /nfs/dbraw/zinc/67/73/73/455677373.db2.gz SRYZISAAIVYDJT-UHFFFAOYSA-N 1 2 343.290 3.143 20 30 EGEDLO C=CCCCS(=O)(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000292611618 455711906 /nfs/dbraw/zinc/71/19/06/455711906.db2.gz NWDUBXGLIXWOBI-MRXNPFEDSA-N 1 2 347.484 3.105 20 30 EGEDLO CC(C)(C#N)CC[NH+]1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000271953791 455804175 /nfs/dbraw/zinc/80/41/75/455804175.db2.gz BPKAJNNICLWEPH-UHFFFAOYSA-N 1 2 337.826 3.177 20 30 EGEDLO CC(C)[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1nc(C2CC2)no1 ZINC000271994340 455814855 /nfs/dbraw/zinc/81/48/55/455814855.db2.gz GVXVIQXXZAZFLE-INIZCTEOSA-N 1 2 326.400 3.336 20 30 EGEDLO CCN(CC)c1ccc(CNC(=O)[C@@]2(C#N)CC23CCCC3)c[nH+]1 ZINC000294463505 455817393 /nfs/dbraw/zinc/81/73/93/455817393.db2.gz LRZBLNIWRXMFGS-IBGZPJMESA-N 1 2 326.444 3.018 20 30 EGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@]2(C#N)CC23CCCC3)c1C ZINC000294725936 455824769 /nfs/dbraw/zinc/82/47/69/455824769.db2.gz MYXAWAOYSJSMAW-IBGZPJMESA-N 1 2 327.428 3.140 20 30 EGEDLO Cc1ccc(NCc2cn(CCC#N)nc2-c2ccncc2)c(C)[nH+]1 ZINC000278605978 455842115 /nfs/dbraw/zinc/84/21/15/455842115.db2.gz DFPANQRCYVXWOX-UHFFFAOYSA-N 1 2 332.411 3.483 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000278888993 455851096 /nfs/dbraw/zinc/85/10/96/455851096.db2.gz IORQHRGFXKKYDR-SNVBAGLBSA-N 1 2 335.395 3.237 20 30 EGEDLO N#CCc1ccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000278915669 455853014 /nfs/dbraw/zinc/85/30/14/455853014.db2.gz HTMUMOBPTIBJEL-UHFFFAOYSA-N 1 2 348.450 3.305 20 30 EGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000295583565 455854161 /nfs/dbraw/zinc/85/41/61/455854161.db2.gz NNZUHXVXWKSUHX-CXAGYDPISA-N 1 2 345.830 3.123 20 30 EGEDLO C=C[C@](C)(O)CC(=O)N1CCC(n2c(CC)[nH+]c3ccccc32)CC1 ZINC000279149270 455859055 /nfs/dbraw/zinc/85/90/55/455859055.db2.gz ANBAAOXBRWTUOX-FQEVSTJZSA-N 1 2 341.455 3.089 20 30 EGEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2cc(C#N)ccc2Cl)CC1(C)C ZINC000296003653 455866677 /nfs/dbraw/zinc/86/66/77/455866677.db2.gz VUUKCLPUJGVUFF-CQSZACIVSA-N 1 2 328.803 3.168 20 30 EGEDLO N#Cc1ccc(OCC[N@@H+]2CCO[C@H](c3ccc(F)cc3F)C2)cc1 ZINC000187254030 455888264 /nfs/dbraw/zinc/88/82/64/455888264.db2.gz KKVHFEVJELJSIE-IBGZPJMESA-N 1 2 344.361 3.289 20 30 EGEDLO N#Cc1ccc(OCC[N@H+]2CCO[C@H](c3ccc(F)cc3F)C2)cc1 ZINC000187254030 455888267 /nfs/dbraw/zinc/88/82/67/455888267.db2.gz KKVHFEVJELJSIE-IBGZPJMESA-N 1 2 344.361 3.289 20 30 EGEDLO CCOC(=O)c1ccc(CNc2[nH+]cccc2OCCCC#N)o1 ZINC000187961061 455973022 /nfs/dbraw/zinc/97/30/22/455973022.db2.gz XKDQJYLOZHWZRI-UHFFFAOYSA-N 1 2 329.356 3.146 20 30 EGEDLO Cc1ncc(CO)c(/C=[NH+]/CCc2csc(C(C)(C)C)n2)c1O ZINC000270749558 456030042 /nfs/dbraw/zinc/03/00/42/456030042.db2.gz BXYGFNPJBPLWPY-QGMBQPNBSA-N 1 2 333.457 3.004 20 30 EGEDLO C=CCOc1ccc(CNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000288440395 456096279 /nfs/dbraw/zinc/09/62/79/456096279.db2.gz NJKHDYJGWQUUPG-KRWDZBQOSA-N 1 2 340.427 3.411 20 30 EGEDLO COc1cc[nH+]cc1CO/N=C/c1ccc(OC(F)F)c(OC)c1 ZINC000288587100 456098974 /nfs/dbraw/zinc/09/89/74/456098974.db2.gz LNXWROMGUJKUBZ-DNTJNYDQSA-N 1 2 338.310 3.251 20 30 EGEDLO C#C[C@@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C(C)(C)C ZINC000288703693 456102766 /nfs/dbraw/zinc/10/27/66/456102766.db2.gz WWWCOXWJWINGJS-QGZVFWFLSA-N 1 2 342.487 3.156 20 30 EGEDLO COc1cc[nH+]cc1CO/N=C/c1ccc(OC(C)C)c(OC)c1 ZINC000288730544 456104773 /nfs/dbraw/zinc/10/47/73/456104773.db2.gz WNMMMPYMTMEDLP-KEBDBYFISA-N 1 2 330.384 3.437 20 30 EGEDLO Cc1ccc(CCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)c[nH+]1 ZINC000301569142 456149569 /nfs/dbraw/zinc/14/95/69/456149569.db2.gz LLKMMIDFJGCQLJ-UHFFFAOYSA-N 1 2 333.351 3.373 20 30 EGEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000273160934 456196357 /nfs/dbraw/zinc/19/63/57/456196357.db2.gz ZCRIZYGNWMKPNQ-QGZVFWFLSA-N 1 2 333.435 3.006 20 30 EGEDLO Cc1sc(NC(=O)C[NH+]2CCC([C@H]3CCCO3)CC2)c(C#N)c1C ZINC000189138098 456237527 /nfs/dbraw/zinc/23/75/27/456237527.db2.gz OSMLBOGTCSNHCU-MRXNPFEDSA-N 1 2 347.484 3.066 20 30 EGEDLO C[N@@H+]1CCO[C@@H]([C@H](Nc2ncccc2C#N)c2ccc(Cl)cc2)C1 ZINC000301880964 456239733 /nfs/dbraw/zinc/23/97/33/456239733.db2.gz KCHRYRCNJLPXCM-IAGOWNOFSA-N 1 2 342.830 3.090 20 30 EGEDLO C[N@H+]1CCO[C@@H]([C@H](Nc2ncccc2C#N)c2ccc(Cl)cc2)C1 ZINC000301880964 456239739 /nfs/dbraw/zinc/23/97/39/456239739.db2.gz KCHRYRCNJLPXCM-IAGOWNOFSA-N 1 2 342.830 3.090 20 30 EGEDLO Oc1ccc(/C=[NH+]/C2CCC(O)(c3ccccc3)CC2)c(O)c1O ZINC000273783704 456244972 /nfs/dbraw/zinc/24/49/72/456244972.db2.gz WGNPGPBTKCHQHL-UDWIEESQSA-N 1 2 327.380 3.053 20 30 EGEDLO C=C(C)[C@H](CC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)OCC ZINC000274137746 456251537 /nfs/dbraw/zinc/25/15/37/456251537.db2.gz APBIUCBELWNALE-RDJZCZTQSA-N 1 2 336.501 3.325 20 30 EGEDLO Cc1cc[nH+]cc1CCCN1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000275226007 456272284 /nfs/dbraw/zinc/27/22/84/456272284.db2.gz KPNMFVIRYXPEMH-OAQYLSRUSA-N 1 2 334.467 3.033 20 30 EGEDLO CCn1c2ccccc2[nH+]c1CCNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000302218815 456320590 /nfs/dbraw/zinc/32/05/90/456320590.db2.gz QUGGRDHREKQNBP-UHFFFAOYSA-N 1 2 335.367 3.491 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)Nc1ccc(C)c(F)c1)Cc1ccc(CO)o1 ZINC000352801921 456321518 /nfs/dbraw/zinc/32/15/18/456321518.db2.gz UNISLFNQGCKNDV-UHFFFAOYSA-N 1 2 346.402 3.236 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccc(C)c(F)c1)Cc1ccc(CO)o1 ZINC000352801921 456321525 /nfs/dbraw/zinc/32/15/25/456321525.db2.gz UNISLFNQGCKNDV-UHFFFAOYSA-N 1 2 346.402 3.236 20 30 EGEDLO C#CC(C)(C)[N@H+](C)Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000297943759 456329880 /nfs/dbraw/zinc/32/98/80/456329880.db2.gz ANXQCFVIZJJSKU-UHFFFAOYSA-N 1 2 341.480 3.476 20 30 EGEDLO C#CC(C)(C)[N@@H+](C)Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000297943759 456329884 /nfs/dbraw/zinc/32/98/84/456329884.db2.gz ANXQCFVIZJJSKU-UHFFFAOYSA-N 1 2 341.480 3.476 20 30 EGEDLO COCC[N@H+](CCOc1ccc(F)cc1)Cc1ccc(F)cc1C#N ZINC000343021916 456360490 /nfs/dbraw/zinc/36/04/90/456360490.db2.gz CQQFSRCJVYEGCU-UHFFFAOYSA-N 1 2 346.377 3.364 20 30 EGEDLO COCC[N@@H+](CCOc1ccc(F)cc1)Cc1ccc(F)cc1C#N ZINC000343021916 456360498 /nfs/dbraw/zinc/36/04/98/456360498.db2.gz CQQFSRCJVYEGCU-UHFFFAOYSA-N 1 2 346.377 3.364 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cn2ccccc2c1C#N ZINC000352873931 456380261 /nfs/dbraw/zinc/38/02/61/456380261.db2.gz HHUFHUUHAQDQCV-UHFFFAOYSA-N 1 2 335.407 3.475 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cn2ccccc2c1C#N ZINC000352873931 456380268 /nfs/dbraw/zinc/38/02/68/456380268.db2.gz HHUFHUUHAQDQCV-UHFFFAOYSA-N 1 2 335.407 3.475 20 30 EGEDLO C=CCc1cc(CNc2ccc(N3CCCC3)c[nH+]2)cc(OC)c1O ZINC000347810750 456381085 /nfs/dbraw/zinc/38/10/85/456381085.db2.gz HZGYVCPNJPJJGP-UHFFFAOYSA-N 1 2 339.439 3.159 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1nccs1 ZINC000352915978 456410072 /nfs/dbraw/zinc/41/00/72/456410072.db2.gz QTOPZXRLSPMVIF-CQSZACIVSA-N 1 2 347.488 3.326 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1nccs1 ZINC000352915978 456410073 /nfs/dbraw/zinc/41/00/73/456410073.db2.gz QTOPZXRLSPMVIF-CQSZACIVSA-N 1 2 347.488 3.326 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)N1CCCCCC1)Cc1cnn(C(C)C)c1 ZINC000352920809 456413532 /nfs/dbraw/zinc/41/35/32/456413532.db2.gz ATSWNSLEGQJLOJ-UHFFFAOYSA-N 1 2 332.492 3.245 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)N1CCCCCC1)Cc1cnn(C(C)C)c1 ZINC000352920809 456413538 /nfs/dbraw/zinc/41/35/38/456413538.db2.gz ATSWNSLEGQJLOJ-UHFFFAOYSA-N 1 2 332.492 3.245 20 30 EGEDLO C=C[C@](C)(CC)c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000276212137 456415328 /nfs/dbraw/zinc/41/53/28/456415328.db2.gz PIGQEFJAWZKORW-VQIMIIECSA-N 1 2 327.428 3.497 20 30 EGEDLO C=C[C@](C)(CC)c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000276212137 456415333 /nfs/dbraw/zinc/41/53/33/456415333.db2.gz PIGQEFJAWZKORW-VQIMIIECSA-N 1 2 327.428 3.497 20 30 EGEDLO CC#CCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccnc1 ZINC000282171885 456433121 /nfs/dbraw/zinc/43/31/21/456433121.db2.gz VEKSNUXDFVQDER-QGZVFWFLSA-N 1 2 329.444 3.089 20 30 EGEDLO CC#CCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccnc1 ZINC000282171885 456433125 /nfs/dbraw/zinc/43/31/25/456433125.db2.gz VEKSNUXDFVQDER-QGZVFWFLSA-N 1 2 329.444 3.089 20 30 EGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)c1cc(N2CCCC2)[nH+]cn1 ZINC000343351555 456551394 /nfs/dbraw/zinc/55/13/94/456551394.db2.gz FEQFYUFYKUCYRI-UHFFFAOYSA-N 1 2 340.475 3.437 20 30 EGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)c1cc(N2CCCC2)nc[nH+]1 ZINC000343351555 456551400 /nfs/dbraw/zinc/55/14/00/456551400.db2.gz FEQFYUFYKUCYRI-UHFFFAOYSA-N 1 2 340.475 3.437 20 30 EGEDLO Cc1ccncc1C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348306418 456610606 /nfs/dbraw/zinc/61/06/06/456610606.db2.gz LRBYUTZLZMZDDF-LJQANCHMSA-N 1 2 340.858 3.426 20 30 EGEDLO Cc1ccc2[nH+]c(COc3ccc(C(=O)N[C@H](C)CC#N)cc3)cn2c1 ZINC000338066902 456659342 /nfs/dbraw/zinc/65/93/42/456659342.db2.gz PZWQBRXYSBYSNV-OAHLLOKOSA-N 1 2 348.406 3.254 20 30 EGEDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1cccc(C#N)c1F ZINC000340760591 456671728 /nfs/dbraw/zinc/67/17/28/456671728.db2.gz MHZSQUWFHUYZAO-UHFFFAOYSA-N 1 2 347.340 3.436 20 30 EGEDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1cccc(C#N)c1F ZINC000340760591 456671736 /nfs/dbraw/zinc/67/17/36/456671736.db2.gz MHZSQUWFHUYZAO-UHFFFAOYSA-N 1 2 347.340 3.436 20 30 EGEDLO CC(C)(CCC#N)CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000353454122 456698613 /nfs/dbraw/zinc/69/86/13/456698613.db2.gz MOUVKLDXDMMPJY-UHFFFAOYSA-N 1 2 325.416 3.001 20 30 EGEDLO O=C(C[N@H+]1CCC[C@H]1CF)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000328781011 456760510 /nfs/dbraw/zinc/76/05/10/456760510.db2.gz FNVUNZLUCDVVDU-URZJAHPPSA-N 1 2 337.439 3.260 20 30 EGEDLO O=C(C[N@@H+]1CCC[C@H]1CF)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000328781011 456760513 /nfs/dbraw/zinc/76/05/13/456760513.db2.gz FNVUNZLUCDVVDU-URZJAHPPSA-N 1 2 337.439 3.260 20 30 EGEDLO Cc1nc(C2(NC(=O)Cc3cn4ccccc4[nH+]3)CCCCC2)no1 ZINC000328780448 456760531 /nfs/dbraw/zinc/76/05/31/456760531.db2.gz UMEIKCHIMCMVKF-UHFFFAOYSA-N 1 2 339.399 3.384 20 30 EGEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CCC[C@@H]1[C@H]1CCCO1 ZINC000328879760 456782417 /nfs/dbraw/zinc/78/24/17/456782417.db2.gz LOZVDXGGIITELI-HUUCEWRRSA-N 1 2 348.834 3.045 20 30 EGEDLO Nc1ccc(CNC(=O)Nc2ccccc2C#Cc2ccccc2)c[nH+]1 ZINC000338422644 456809691 /nfs/dbraw/zinc/80/96/91/456809691.db2.gz QJSSEANHVUZMNO-UHFFFAOYSA-N 1 2 342.402 3.216 20 30 EGEDLO Cc1nc(C2([NH2+]CC(=O)NC3(C#N)CCCCC3)CCCCC2)no1 ZINC000329247185 456860762 /nfs/dbraw/zinc/86/07/62/456860762.db2.gz BCGBUJNQSNYVTH-UHFFFAOYSA-N 1 2 345.447 3.310 20 30 EGEDLO C=CCn1cccc1C(=O)N1CCC[C@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000344805888 456862624 /nfs/dbraw/zinc/86/26/24/456862624.db2.gz ULEDUYZLXQSMBL-KRWDZBQOSA-N 1 2 338.455 3.264 20 30 EGEDLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NCC#Cc1ccccc1 ZINC000341436254 456863726 /nfs/dbraw/zinc/86/37/26/456863726.db2.gz SXKDDPFHCHXLQB-IBGZPJMESA-N 1 2 329.403 3.100 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)C2)[nH]1 ZINC000329413471 456886973 /nfs/dbraw/zinc/88/69/73/456886973.db2.gz CIAFQGDRBCEMTI-WMHQRMGPSA-N 1 2 333.480 3.074 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)C2)[nH]1 ZINC000329413471 456886975 /nfs/dbraw/zinc/88/69/75/456886975.db2.gz CIAFQGDRBCEMTI-WMHQRMGPSA-N 1 2 333.480 3.074 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)C2)n1 ZINC000329413471 456886979 /nfs/dbraw/zinc/88/69/79/456886979.db2.gz CIAFQGDRBCEMTI-WMHQRMGPSA-N 1 2 333.480 3.074 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)C2)n1 ZINC000329413471 456886981 /nfs/dbraw/zinc/88/69/81/456886981.db2.gz CIAFQGDRBCEMTI-WMHQRMGPSA-N 1 2 333.480 3.074 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)C2)n[nH]1 ZINC000329413471 456886984 /nfs/dbraw/zinc/88/69/84/456886984.db2.gz CIAFQGDRBCEMTI-WMHQRMGPSA-N 1 2 333.480 3.074 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)C2)n[nH]1 ZINC000329413471 456886985 /nfs/dbraw/zinc/88/69/85/456886985.db2.gz CIAFQGDRBCEMTI-WMHQRMGPSA-N 1 2 333.480 3.074 20 30 EGEDLO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCOCC2(CC2)C1 ZINC000329443962 456891225 /nfs/dbraw/zinc/89/12/25/456891225.db2.gz KNVWQOVDDJHDDV-GFCCVEGCSA-N 1 2 331.441 3.385 20 30 EGEDLO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCOCC2(CC2)C1 ZINC000329443962 456891229 /nfs/dbraw/zinc/89/12/29/456891229.db2.gz KNVWQOVDDJHDDV-GFCCVEGCSA-N 1 2 331.441 3.385 20 30 EGEDLO CC(C)C[C@@H]1C[C@H](NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CCO1 ZINC000329474838 456896391 /nfs/dbraw/zinc/89/63/91/456896391.db2.gz OWHIKVHWDABQGQ-BZUAXINKSA-N 1 2 334.464 3.444 20 30 EGEDLO CCc1cnccc1[C@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329483921 456897760 /nfs/dbraw/zinc/89/77/60/456897760.db2.gz FKEHZBVTOKMMFK-KBXCAEBGSA-N 1 2 331.460 3.305 20 30 EGEDLO CCc1cnccc1[C@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329483921 456897762 /nfs/dbraw/zinc/89/77/62/456897762.db2.gz FKEHZBVTOKMMFK-KBXCAEBGSA-N 1 2 331.460 3.305 20 30 EGEDLO CC1(C)C[C@H](NC(=O)N2CCn3c[nH+]cc3C2)c2ccc(F)cc2O1 ZINC000329541011 456906647 /nfs/dbraw/zinc/90/66/47/456906647.db2.gz DGKFLSOUKDGTJP-HNNXBMFYSA-N 1 2 344.390 3.054 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccon1 ZINC000349249031 456923820 /nfs/dbraw/zinc/92/38/20/456923820.db2.gz WOSKXXSHNFRYKV-OLZOCXBDSA-N 1 2 344.440 3.358 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@@H]1CCCSC1 ZINC000329703223 456929794 /nfs/dbraw/zinc/92/97/94/456929794.db2.gz IPYKSADICMTMIP-GJZGRUSLSA-N 1 2 336.505 3.487 20 30 EGEDLO CC1(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CCCCCC1 ZINC000329709626 456930963 /nfs/dbraw/zinc/93/09/63/456930963.db2.gz NDUJEVWYMILHFL-UHFFFAOYSA-N 1 2 349.519 3.248 20 30 EGEDLO CC1(C)C[N@H+](CC(=O)Nc2nc3c(s2)CCCC3)[C@@H]1[C@H]1CCCO1 ZINC000329803397 456943425 /nfs/dbraw/zinc/94/34/25/456943425.db2.gz ZQJWSSKHXBPYDR-CZUORRHYSA-N 1 2 349.500 3.499 20 30 EGEDLO CC1(C)C[N@@H+](CC(=O)Nc2nc3c(s2)CCCC3)[C@@H]1[C@H]1CCCO1 ZINC000329803397 456943426 /nfs/dbraw/zinc/94/34/26/456943426.db2.gz ZQJWSSKHXBPYDR-CZUORRHYSA-N 1 2 349.500 3.499 20 30 EGEDLO C[C@@H]1CCC[C@H](C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)C1 ZINC000329983684 456970286 /nfs/dbraw/zinc/97/02/86/456970286.db2.gz PTYJRVSNASHPLV-IWCQGFGOSA-N 1 2 336.455 3.115 20 30 EGEDLO C[C@@H]1CCC[C@H](C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)C1 ZINC000329983684 456970291 /nfs/dbraw/zinc/97/02/91/456970291.db2.gz PTYJRVSNASHPLV-IWCQGFGOSA-N 1 2 336.455 3.115 20 30 EGEDLO Cn1c(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)nc2cccc(Cl)c21 ZINC000330024307 456976176 /nfs/dbraw/zinc/97/61/76/456976176.db2.gz AHBNDMNIUZIRBJ-LLVKDONJSA-N 1 2 343.818 3.142 20 30 EGEDLO C[C@@H]1CCCc2ccccc2[C@@H]1[NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000330163084 456993916 /nfs/dbraw/zinc/99/39/16/456993916.db2.gz ARMMPSFMCMKGCA-SIXWZSSISA-N 1 2 338.455 3.415 20 30 EGEDLO C[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330328771 457028000 /nfs/dbraw/zinc/02/80/00/457028000.db2.gz LXNYFFAQFHPYKW-BJJXKVORSA-N 1 2 348.447 3.132 20 30 EGEDLO CC1(C)CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)[C@@H]1c1ccncc1 ZINC000330348177 457032561 /nfs/dbraw/zinc/03/25/61/457032561.db2.gz ILZUWXLOLFNBGN-JKSUJKDBSA-N 1 2 339.443 3.153 20 30 EGEDLO CCN1CCN(C(=O)Nc2cccc(C(F)F)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330345695 457033149 /nfs/dbraw/zinc/03/31/49/457033149.db2.gz FMZNRYAKHCTEJG-CQSZACIVSA-N 1 2 349.385 3.272 20 30 EGEDLO CN(C)c1ccc2cc(NC(=O)CNc3ccc(C#N)cc3)ccc2[nH+]1 ZINC000339282736 457038506 /nfs/dbraw/zinc/03/85/06/457038506.db2.gz MELCZYVMDLRGGK-UHFFFAOYSA-N 1 2 345.406 3.223 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000341981092 457040324 /nfs/dbraw/zinc/04/03/24/457040324.db2.gz DVXJRUZIBYEAQK-UHFFFAOYSA-N 1 2 346.818 3.142 20 30 EGEDLO C=CCC1(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)CCC1 ZINC000359150459 457060765 /nfs/dbraw/zinc/06/07/65/457060765.db2.gz QPAGIKHVSSGAEJ-UHFFFAOYSA-N 1 2 348.244 3.459 20 30 EGEDLO COCC(C)(C)NC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000330776355 457084169 /nfs/dbraw/zinc/08/41/69/457084169.db2.gz IXDZJNSFHNUJBF-CQSZACIVSA-N 1 2 334.464 3.329 20 30 EGEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)Nc1ccc(Br)cc1 ZINC000330829618 457091651 /nfs/dbraw/zinc/09/16/51/457091651.db2.gz JJVVKDMQWSHISW-MJVIPROJSA-N 1 2 336.233 3.058 20 30 EGEDLO C=CC[C@H](CO)CNC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000342167851 457146104 /nfs/dbraw/zinc/14/61/04/457146104.db2.gz UYFLVZQHTYVYRQ-HNNXBMFYSA-N 1 2 326.396 3.097 20 30 EGEDLO C[C@@H](C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1cccc(C#N)c1 ZINC000359981807 457184572 /nfs/dbraw/zinc/18/45/72/457184572.db2.gz RUQIQWNCDCMWFM-MRXNPFEDSA-N 1 2 344.418 3.223 20 30 EGEDLO C[C@H](C(=O)NCc1ccc(N2CCCCC2)[nH+]c1)c1cccc(C#N)c1 ZINC000360019528 457206447 /nfs/dbraw/zinc/20/64/47/457206447.db2.gz XVPDOXVMZGAAEY-INIZCTEOSA-N 1 2 348.450 3.363 20 30 EGEDLO CC(C)CCC1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000347080007 457219928 /nfs/dbraw/zinc/21/99/28/457219928.db2.gz WXHLASKBGMZGKX-UHFFFAOYSA-N 1 2 348.512 3.480 20 30 EGEDLO CCOc1ccccc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000351492031 457300904 /nfs/dbraw/zinc/30/09/04/457300904.db2.gz KDJXTRLFCJLRJM-FQEVSTJZSA-N 1 2 335.451 3.468 20 30 EGEDLO COc1ccc(-c2ccc(C[N@H+](C)C[C@H](C)C#N)o2)c([N+](=O)[O-])c1 ZINC000352103089 457337674 /nfs/dbraw/zinc/33/76/74/457337674.db2.gz YDOYCCNGDURAOK-GFCCVEGCSA-N 1 2 329.356 3.455 20 30 EGEDLO COc1ccc(-c2ccc(C[N@@H+](C)C[C@H](C)C#N)o2)c([N+](=O)[O-])c1 ZINC000352103089 457337677 /nfs/dbraw/zinc/33/76/77/457337677.db2.gz YDOYCCNGDURAOK-GFCCVEGCSA-N 1 2 329.356 3.455 20 30 EGEDLO C#C[C@@H](CC)[NH2+]Cc1c(Br)cncc1Br ZINC000380212785 457417548 /nfs/dbraw/zinc/41/75/48/457417548.db2.gz ZVKXUSISVOWNTL-QMMMGPOBSA-N 1 2 332.039 3.108 20 30 EGEDLO Cc1ccc(C(=O)NC2CCN(c3cc(C)[nH+]cc3C#N)CC2)s1 ZINC000425217687 457463230 /nfs/dbraw/zinc/46/32/30/457463230.db2.gz BWBQTKGESWXGNN-UHFFFAOYSA-N 1 2 340.452 3.030 20 30 EGEDLO Cc1cc(Br)cn2cc(CNc3cccnc3C#N)[nH+]c12 ZINC000357445034 457531261 /nfs/dbraw/zinc/53/12/61/457531261.db2.gz VDDGDOXEMPSKEP-UHFFFAOYSA-N 1 2 342.200 3.284 20 30 EGEDLO CCc1nc([C@@H]2CCCC[N@@H+]2CCCOc2cccc(C#N)c2)no1 ZINC000370565897 457674647 /nfs/dbraw/zinc/67/46/47/457674647.db2.gz PCIYAVDJCRAOFQ-KRWDZBQOSA-N 1 2 340.427 3.500 20 30 EGEDLO CCc1nc([C@@H]2CCCC[N@H+]2CCCOc2cccc(C#N)c2)no1 ZINC000370565897 457674651 /nfs/dbraw/zinc/67/46/51/457674651.db2.gz PCIYAVDJCRAOFQ-KRWDZBQOSA-N 1 2 340.427 3.500 20 30 EGEDLO CN(C)c1noc([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3C#N)C2)n1 ZINC000374635931 457677674 /nfs/dbraw/zinc/67/76/74/457677674.db2.gz JYNBSBYSUNUBME-ZDUSSCGKSA-N 1 2 345.834 3.040 20 30 EGEDLO CN(C)c1noc([C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)n1 ZINC000374635931 457677678 /nfs/dbraw/zinc/67/76/78/457677678.db2.gz JYNBSBYSUNUBME-ZDUSSCGKSA-N 1 2 345.834 3.040 20 30 EGEDLO C=CCN(Cc1ccccc1F)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000357788545 457689578 /nfs/dbraw/zinc/68/95/78/457689578.db2.gz CIPGIZQYWSGBFE-KRWDZBQOSA-N 1 2 342.418 3.408 20 30 EGEDLO N#Cc1ccccc1CN1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000357801268 457694254 /nfs/dbraw/zinc/69/42/54/457694254.db2.gz JJMARYRINDKTME-UHFFFAOYSA-N 1 2 332.382 3.441 20 30 EGEDLO CCS(=O)(=O)CCCCC[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000365055955 457725191 /nfs/dbraw/zinc/72/51/91/457725191.db2.gz RMLWPJGENFIKIN-OALUTQOASA-N 1 2 348.512 3.363 20 30 EGEDLO CCS(=O)(=O)CCCCC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000365055955 457725195 /nfs/dbraw/zinc/72/51/95/457725195.db2.gz RMLWPJGENFIKIN-OALUTQOASA-N 1 2 348.512 3.363 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnc(-c2cnn(C)c2)nc1 ZINC000365414529 457757901 /nfs/dbraw/zinc/75/79/01/457757901.db2.gz IQRGLFRDCYDDID-UHFFFAOYSA-N 1 2 326.448 3.029 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnc(-c2cnn(C)c2)nc1 ZINC000365414529 457757909 /nfs/dbraw/zinc/75/79/09/457757909.db2.gz IQRGLFRDCYDDID-UHFFFAOYSA-N 1 2 326.448 3.029 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000410822659 457758141 /nfs/dbraw/zinc/75/81/41/457758141.db2.gz OLURFMVRQNOSJE-INIZCTEOSA-N 1 2 330.472 3.330 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000410822659 457758148 /nfs/dbraw/zinc/75/81/48/457758148.db2.gz OLURFMVRQNOSJE-INIZCTEOSA-N 1 2 330.472 3.330 20 30 EGEDLO C[N@H+](CC(=O)N(Cc1ccco1)Cc1ccccc1)CC(C)(C)C#N ZINC000433303736 457803549 /nfs/dbraw/zinc/80/35/49/457803549.db2.gz LZLIHMNDJGCBMV-UHFFFAOYSA-N 1 2 339.439 3.290 20 30 EGEDLO C[N@@H+](CC(=O)N(Cc1ccco1)Cc1ccccc1)CC(C)(C)C#N ZINC000433303736 457803550 /nfs/dbraw/zinc/80/35/50/457803550.db2.gz LZLIHMNDJGCBMV-UHFFFAOYSA-N 1 2 339.439 3.290 20 30 EGEDLO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@H+](C)CC(C)(C)C#N ZINC000433303242 457803781 /nfs/dbraw/zinc/80/37/81/457803781.db2.gz KKMSKAKFGPPQAY-UONOGXRCSA-N 1 2 327.428 3.480 20 30 EGEDLO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@@H+](C)CC(C)(C)C#N ZINC000433303242 457803785 /nfs/dbraw/zinc/80/37/85/457803785.db2.gz KKMSKAKFGPPQAY-UONOGXRCSA-N 1 2 327.428 3.480 20 30 EGEDLO N#C[C@H](CCc1ccccc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000433376474 457825324 /nfs/dbraw/zinc/82/53/24/457825324.db2.gz JTWDHJIAISVDBJ-SFHVURJKSA-N 1 2 344.418 3.261 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@@H](O)c3ccc(Cl)cc3)CCO2)c1 ZINC000371293135 457851782 /nfs/dbraw/zinc/85/17/82/457851782.db2.gz TZSZSIHTVYMESQ-RTBURBONSA-N 1 2 342.826 3.319 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@@H](O)c3ccc(Cl)cc3)CCO2)c1 ZINC000371293135 457851784 /nfs/dbraw/zinc/85/17/84/457851784.db2.gz TZSZSIHTVYMESQ-RTBURBONSA-N 1 2 342.826 3.319 20 30 EGEDLO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1 ZINC000371782491 458071120 /nfs/dbraw/zinc/07/11/20/458071120.db2.gz XZLQEBVYELUEIF-BHIYHBOVSA-N 1 2 325.456 3.017 20 30 EGEDLO C[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1 ZINC000371782491 458071130 /nfs/dbraw/zinc/07/11/30/458071130.db2.gz XZLQEBVYELUEIF-BHIYHBOVSA-N 1 2 325.456 3.017 20 30 EGEDLO C=C[C@H](C)NC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000362380707 458135193 /nfs/dbraw/zinc/13/51/93/458135193.db2.gz REZBLYBSZFIFFD-SWLSCSKDSA-N 1 2 339.842 3.317 20 30 EGEDLO C=C[C@H](C)NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000362380707 458135196 /nfs/dbraw/zinc/13/51/96/458135196.db2.gz REZBLYBSZFIFFD-SWLSCSKDSA-N 1 2 339.842 3.317 20 30 EGEDLO C=C(C)COc1cc(C[N@@H+]2CCN(CC)C(=O)[C@@H]2CC)ccc1OC ZINC000428436201 458141705 /nfs/dbraw/zinc/14/17/05/458141705.db2.gz HTMMEOWHKHTEAD-KRWDZBQOSA-N 1 2 346.471 3.093 20 30 EGEDLO C=C(C)COc1cc(C[N@H+]2CCN(CC)C(=O)[C@@H]2CC)ccc1OC ZINC000428436201 458141707 /nfs/dbraw/zinc/14/17/07/458141707.db2.gz HTMMEOWHKHTEAD-KRWDZBQOSA-N 1 2 346.471 3.093 20 30 EGEDLO C=CC(C)(C)C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000448902996 458414861 /nfs/dbraw/zinc/41/48/61/458414861.db2.gz FDVZUCMBJKOQKY-UHFFFAOYSA-N 1 2 337.427 3.474 20 30 EGEDLO C=CCC[C@H]([NH2+]Cc1ccc(-c2cnn(C)c2)s1)C(=O)OCC ZINC000449654868 458428514 /nfs/dbraw/zinc/42/85/14/458428514.db2.gz FSHSAPFIRZZNRQ-HNNXBMFYSA-N 1 2 333.457 3.136 20 30 EGEDLO C=CCOc1cc(OC)ccc1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452331083 458500134 /nfs/dbraw/zinc/50/01/34/458500134.db2.gz CCPGDOLSIPAAHM-UHFFFAOYSA-N 1 2 327.384 3.045 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2sc(C)cc2Br)C1=O ZINC000453601482 458537986 /nfs/dbraw/zinc/53/79/86/458537986.db2.gz RRQVJVRYYNUJNF-LBPRGKRZSA-N 1 2 343.290 3.038 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2sc(C)cc2Br)C1=O ZINC000453601482 458537990 /nfs/dbraw/zinc/53/79/90/458537990.db2.gz RRQVJVRYYNUJNF-LBPRGKRZSA-N 1 2 343.290 3.038 20 30 EGEDLO CN(CCOCc1ccc(C#N)cc1)c1[nH+]c2ccc(F)cc2n1C ZINC000431408442 458569470 /nfs/dbraw/zinc/56/94/70/458569470.db2.gz CHBPZSICGQNEJW-UHFFFAOYSA-N 1 2 338.386 3.237 20 30 EGEDLO C=CC(C)(C)CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000455369065 458594961 /nfs/dbraw/zinc/59/49/61/458594961.db2.gz PKOIUQGIEXRFCM-HNNXBMFYSA-N 1 2 330.407 3.160 20 30 EGEDLO C=CCn1cc(C[NH2+][C@@H]2CCCOc3c(C)cc(Cl)cc32)nn1 ZINC000424297337 458608428 /nfs/dbraw/zinc/60/84/28/458608428.db2.gz QKHJQVQGWCPNOW-MRXNPFEDSA-N 1 2 332.835 3.429 20 30 EGEDLO Cc1nc(COc2ccc(CNc3cc(CC#N)cc[nH+]3)cc2)no1 ZINC000546634089 458649336 /nfs/dbraw/zinc/64/93/36/458649336.db2.gz ZIBZSKHINPBFHJ-UHFFFAOYSA-N 1 2 335.367 3.030 20 30 EGEDLO C[C@@H]1CN(c2ccc(Nc3cccc(F)c3C#N)c[nH+]2)C[C@H](C)O1 ZINC000506859954 458752425 /nfs/dbraw/zinc/75/24/25/458752425.db2.gz YAUCROAQBOLIIG-BETUJISGSA-N 1 2 326.375 3.450 20 30 EGEDLO C=C(C)[C@@H](CC(=O)Nc1ccc2c(c1)[nH+]c(C)n2[C@H](C)CO)OCC ZINC000456694754 458754271 /nfs/dbraw/zinc/75/42/71/458754271.db2.gz BTFAIYPEKKBCMH-FZKQIMNGSA-N 1 2 345.443 3.208 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)NCCC1CCCCC1)Cc1ccc(CO)o1 ZINC000512163240 458782062 /nfs/dbraw/zinc/78/20/62/458782062.db2.gz FCWZBNRKNCQKIB-UHFFFAOYSA-N 1 2 348.487 3.237 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)NCCC1CCCCC1)Cc1ccc(CO)o1 ZINC000512163240 458782069 /nfs/dbraw/zinc/78/20/69/458782069.db2.gz FCWZBNRKNCQKIB-UHFFFAOYSA-N 1 2 348.487 3.237 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1Cl ZINC000512686740 458788430 /nfs/dbraw/zinc/78/84/30/458788430.db2.gz JIMFUJGJVYMYIY-CVEARBPZSA-N 1 2 334.847 3.148 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1Cl ZINC000512686740 458788436 /nfs/dbraw/zinc/78/84/36/458788436.db2.gz JIMFUJGJVYMYIY-CVEARBPZSA-N 1 2 334.847 3.148 20 30 EGEDLO CC(C)[N@H+](CC#Cc1ccc(F)cc1)CC(=O)N1CCCCCC1 ZINC000513251483 458793963 /nfs/dbraw/zinc/79/39/63/458793963.db2.gz BQJAECFCUFUKBU-UHFFFAOYSA-N 1 2 330.447 3.290 20 30 EGEDLO CC(C)[N@@H+](CC#Cc1ccc(F)cc1)CC(=O)N1CCCCCC1 ZINC000513251483 458793968 /nfs/dbraw/zinc/79/39/68/458793968.db2.gz BQJAECFCUFUKBU-UHFFFAOYSA-N 1 2 330.447 3.290 20 30 EGEDLO C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000515488014 458809579 /nfs/dbraw/zinc/80/95/79/458809579.db2.gz NIJNLVYAUKKTBK-ZUZCIYMTSA-N 1 2 328.243 3.057 20 30 EGEDLO C=CCCCCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000472843556 458810086 /nfs/dbraw/zinc/81/00/86/458810086.db2.gz ADHUQSABGJYKRX-LJQANCHMSA-N 1 2 345.487 3.024 20 30 EGEDLO CCCN1CC[N@H+](Cc2ccccc2C(C)(C)C#N)C(C)(C)C1=O ZINC000495252615 458821048 /nfs/dbraw/zinc/82/10/48/458821048.db2.gz YGFBQPKIMVCQIP-UHFFFAOYSA-N 1 2 327.472 3.321 20 30 EGEDLO CCCN1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C(C)(C)C1=O ZINC000495252615 458821053 /nfs/dbraw/zinc/82/10/53/458821053.db2.gz YGFBQPKIMVCQIP-UHFFFAOYSA-N 1 2 327.472 3.321 20 30 EGEDLO C=CCOc1ccccc1CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000518412121 458864958 /nfs/dbraw/zinc/86/49/58/458864958.db2.gz XVNVONLFQGILOE-UHFFFAOYSA-N 1 2 335.407 3.066 20 30 EGEDLO CC#CC[N@@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(CC)cc1 ZINC000550126488 458884681 /nfs/dbraw/zinc/88/46/81/458884681.db2.gz WVGHSKUPXMOJJG-FQEVSTJZSA-N 1 2 340.492 3.471 20 30 EGEDLO CC#CC[N@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(CC)cc1 ZINC000550126488 458884684 /nfs/dbraw/zinc/88/46/84/458884684.db2.gz WVGHSKUPXMOJJG-FQEVSTJZSA-N 1 2 340.492 3.471 20 30 EGEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000550141978 458885688 /nfs/dbraw/zinc/88/56/88/458885688.db2.gz QRZVABJBEWFFQQ-CQSZACIVSA-N 1 2 327.453 3.401 20 30 EGEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000550141978 458885692 /nfs/dbraw/zinc/88/56/92/458885692.db2.gz QRZVABJBEWFFQQ-CQSZACIVSA-N 1 2 327.453 3.401 20 30 EGEDLO CC(C)(C)C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000441173698 458894695 /nfs/dbraw/zinc/89/46/95/458894695.db2.gz VIEIHFFURIJORP-INIZCTEOSA-N 1 2 332.875 3.318 20 30 EGEDLO CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000441173698 458894698 /nfs/dbraw/zinc/89/46/98/458894698.db2.gz VIEIHFFURIJORP-INIZCTEOSA-N 1 2 332.875 3.318 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000566428580 458929555 /nfs/dbraw/zinc/92/95/55/458929555.db2.gz GYTPGUGMUWXIMH-CQSZACIVSA-N 1 2 346.431 3.093 20 30 EGEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000566428302 458930680 /nfs/dbraw/zinc/93/06/80/458930680.db2.gz DKJJCGGBEWEORF-ZIAGYGMSSA-N 1 2 334.489 3.479 20 30 EGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2nccn2-c2ccccc2)CC1 ZINC000567471129 459112216 /nfs/dbraw/zinc/11/22/16/459112216.db2.gz ZELIEKVAWOYDJK-UHFFFAOYSA-N 1 2 343.434 3.325 20 30 EGEDLO N#CCC[C@@H](NC(=O)NCCCCn1cc[nH+]c1)c1ccccc1 ZINC000532654550 459124095 /nfs/dbraw/zinc/12/40/95/459124095.db2.gz HXFLNKNTUTWHFU-QGZVFWFLSA-N 1 2 325.416 3.008 20 30 EGEDLO CCN(CC)c1ccc(CNC(=O)NCC(C)(C)CCC#N)c[nH+]1 ZINC000479242279 459129546 /nfs/dbraw/zinc/12/95/46/459129546.db2.gz JSGAOLZHZSNMLZ-UHFFFAOYSA-N 1 2 331.464 3.057 20 30 EGEDLO CC(C)[N@H+](Cc1nnnn1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000521822547 459179871 /nfs/dbraw/zinc/17/98/71/459179871.db2.gz VPNNUHCBSRURFL-UHFFFAOYSA-N 1 2 346.438 3.004 20 30 EGEDLO CC(C)[N@@H+](Cc1nnnn1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000521822547 459179878 /nfs/dbraw/zinc/17/98/78/459179878.db2.gz VPNNUHCBSRURFL-UHFFFAOYSA-N 1 2 346.438 3.004 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cccc(C#N)c3F)[C@@H]2C1 ZINC000496529205 459229029 /nfs/dbraw/zinc/22/90/29/459229029.db2.gz AEAIFXNDXKVBJX-GDBMZVCRSA-N 1 2 345.418 3.139 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cccc(C#N)c3F)[C@@H]2C1 ZINC000496529205 459229035 /nfs/dbraw/zinc/22/90/35/459229035.db2.gz AEAIFXNDXKVBJX-GDBMZVCRSA-N 1 2 345.418 3.139 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCc1cc(Cl)sc1Cl ZINC000579964812 459254540 /nfs/dbraw/zinc/25/45/40/459254540.db2.gz VECJILZHYDSECP-AWEZNQCLSA-N 1 2 348.299 3.338 20 30 EGEDLO Cc1ccc2[nH+]c(/C=C/C(=O)c3cccc(N4CCOC4=O)c3)cn2c1 ZINC000496699720 459291780 /nfs/dbraw/zinc/29/17/80/459291780.db2.gz IZXWYLRCTMVFKR-VOTSOKGWSA-N 1 2 347.374 3.495 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000568744203 459337302 /nfs/dbraw/zinc/33/73/02/459337302.db2.gz NFPFZFHEQQKSNN-QGZVFWFLSA-N 1 2 331.803 3.174 20 30 EGEDLO CCC[C@@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000535441266 459355947 /nfs/dbraw/zinc/35/59/47/459355947.db2.gz KAKHLSDHKNBRNL-MRXNPFEDSA-N 1 2 327.346 3.438 20 30 EGEDLO CCC[C@@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000535441266 459355954 /nfs/dbraw/zinc/35/59/54/459355954.db2.gz KAKHLSDHKNBRNL-MRXNPFEDSA-N 1 2 327.346 3.438 20 30 EGEDLO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595620414 459372050 /nfs/dbraw/zinc/37/20/50/459372050.db2.gz NIVFAWIILGXWDI-OLZOCXBDSA-N 1 2 328.441 3.249 20 30 EGEDLO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595620414 459372055 /nfs/dbraw/zinc/37/20/55/459372055.db2.gz NIVFAWIILGXWDI-OLZOCXBDSA-N 1 2 328.441 3.249 20 30 EGEDLO CC[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000582488414 459374077 /nfs/dbraw/zinc/37/40/77/459374077.db2.gz DUZYGZVTXRWPPC-HOCLYGCPSA-N 1 2 341.377 3.159 20 30 EGEDLO CC[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000582488415 459374093 /nfs/dbraw/zinc/37/40/93/459374093.db2.gz DUZYGZVTXRWPPC-ZBFHGGJFSA-N 1 2 341.377 3.159 20 30 EGEDLO C=C1CC[NH+](CC(=O)NCC2(c3ccc(F)cc3)CCCC2)CC1 ZINC000524755867 459389258 /nfs/dbraw/zinc/38/92/58/459389258.db2.gz MTZUMJJIYZEUHW-UHFFFAOYSA-N 1 2 330.447 3.406 20 30 EGEDLO C=CC[N@@H+](CCOC)Cc1nc2ccccc2c(C)c1C(=O)OCC ZINC000484564325 459419867 /nfs/dbraw/zinc/41/98/67/459419867.db2.gz PDCWEAZWDTZFFP-UHFFFAOYSA-N 1 2 342.439 3.354 20 30 EGEDLO C=CC[N@H+](CCOC)Cc1nc2ccccc2c(C)c1C(=O)OCC ZINC000484564325 459419870 /nfs/dbraw/zinc/41/98/70/459419870.db2.gz PDCWEAZWDTZFFP-UHFFFAOYSA-N 1 2 342.439 3.354 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](Nc1nc2ccccn2c1C#N)c1ccccc1 ZINC000541114372 459428841 /nfs/dbraw/zinc/42/88/41/459428841.db2.gz OGLZDOMRTHQJGG-KRWDZBQOSA-N 1 2 328.379 3.141 20 30 EGEDLO CCOC(=O)C[N@H+](Cc1ccc(F)cc1)Cc1ccc(CC#N)cc1 ZINC000541271684 459437536 /nfs/dbraw/zinc/43/75/36/459437536.db2.gz AOLZEAPUEWSNEU-UHFFFAOYSA-N 1 2 340.398 3.457 20 30 EGEDLO CCOC(=O)C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(CC#N)cc1 ZINC000541271684 459437541 /nfs/dbraw/zinc/43/75/41/459437541.db2.gz AOLZEAPUEWSNEU-UHFFFAOYSA-N 1 2 340.398 3.457 20 30 EGEDLO COc1ccc2ncc(C#N)c(NCCCc3cccc(C)[nH+]3)c2c1 ZINC000591941883 459491967 /nfs/dbraw/zinc/49/19/67/459491967.db2.gz ULKSQHOEOKWBLT-UHFFFAOYSA-N 1 2 332.407 3.285 20 30 EGEDLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC(CC#N)CC3)cn2c1 ZINC000541980773 459516298 /nfs/dbraw/zinc/51/62/98/459516298.db2.gz MCFXGZHHYRPHJS-UHFFFAOYSA-N 1 2 342.468 3.028 20 30 EGEDLO N#Cc1ccccc1OCC[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000583401133 459531953 /nfs/dbraw/zinc/53/19/53/459531953.db2.gz BZCGNFHGDWHGMO-UHFFFAOYSA-N 1 2 343.377 3.037 20 30 EGEDLO Cc1nc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)ccc1C#N ZINC000487900250 459535585 /nfs/dbraw/zinc/53/55/85/459535585.db2.gz XRHFGPPZEMJDAB-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO Cc1cc(C[NH+]2CCN(C(=O)CC3CCCCC3)CC2)ccc1C#N ZINC000487874207 459535655 /nfs/dbraw/zinc/53/56/55/459535655.db2.gz DRGKFRYJBKJIPM-UHFFFAOYSA-N 1 2 339.483 3.481 20 30 EGEDLO Cc1cc(C[N@@H+]2CCOC[C@@H]2CC(=O)c2ccccc2)ccc1C#N ZINC000488098170 459537936 /nfs/dbraw/zinc/53/79/36/459537936.db2.gz HQUWSPFOTZQWQB-FQEVSTJZSA-N 1 2 334.419 3.341 20 30 EGEDLO Cc1cc(C[N@H+]2CCOC[C@@H]2CC(=O)c2ccccc2)ccc1C#N ZINC000488098170 459537940 /nfs/dbraw/zinc/53/79/40/459537940.db2.gz HQUWSPFOTZQWQB-FQEVSTJZSA-N 1 2 334.419 3.341 20 30 EGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000489442480 459564036 /nfs/dbraw/zinc/56/40/36/459564036.db2.gz TVXWKCKPUKUSCK-CQSZACIVSA-N 1 2 335.411 3.062 20 30 EGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000489442480 459564041 /nfs/dbraw/zinc/56/40/41/459564041.db2.gz TVXWKCKPUKUSCK-CQSZACIVSA-N 1 2 335.411 3.062 20 30 EGEDLO CCn1c(CCNc2ncc(Cl)c(C)c2C#N)[nH+]c2ccccc21 ZINC000572878834 459588834 /nfs/dbraw/zinc/58/88/34/459588834.db2.gz FMCHSSCOOJDTMZ-UHFFFAOYSA-N 1 2 339.830 3.361 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cccc(C(F)F)c2)n1 ZINC000491038838 459594713 /nfs/dbraw/zinc/59/47/13/459594713.db2.gz LQGPMCDABRYWLS-UHFFFAOYSA-N 1 2 333.382 3.103 20 30 EGEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cccc(C(F)F)c2)n1 ZINC000491038838 459594718 /nfs/dbraw/zinc/59/47/18/459594718.db2.gz LQGPMCDABRYWLS-UHFFFAOYSA-N 1 2 333.382 3.103 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cccc(OC(C)(C)C)n2)n1 ZINC000491242397 459609132 /nfs/dbraw/zinc/60/91/32/459609132.db2.gz QBVGZVBXCSHFKD-UHFFFAOYSA-N 1 2 326.444 3.111 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cccc(OC(C)(C)C)n2)n1 ZINC000491242397 459609139 /nfs/dbraw/zinc/60/91/39/459609139.db2.gz QBVGZVBXCSHFKD-UHFFFAOYSA-N 1 2 326.444 3.111 20 30 EGEDLO C#C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccc(Br)cc1 ZINC000491672589 459651288 /nfs/dbraw/zinc/65/12/88/459651288.db2.gz PQXCODQXYBABOC-IUODEOHRSA-N 1 2 346.228 3.087 20 30 EGEDLO C#CCNC(=O)C1CC[NH+](Cc2cc(Cl)sc2Cl)CC1 ZINC000491730909 459662347 /nfs/dbraw/zinc/66/23/47/459662347.db2.gz ICDPSRGTOQOBGO-UHFFFAOYSA-N 1 2 331.268 3.016 20 30 EGEDLO COc1cc[nH+]cc1CNC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000562879563 459663299 /nfs/dbraw/zinc/66/32/99/459663299.db2.gz FVYWRZBCMREDLO-UHFFFAOYSA-N 1 2 342.398 3.420 20 30 EGEDLO C=CCCC[C@H](C)NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000543565661 459670170 /nfs/dbraw/zinc/67/01/70/459670170.db2.gz MEJXENLZNRDTJD-HNNXBMFYSA-N 1 2 338.455 3.294 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596591761 459687471 /nfs/dbraw/zinc/68/74/71/459687471.db2.gz LQZHWSMUQCBTGT-KSSFIOAISA-N 1 2 334.423 3.363 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596591761 459687475 /nfs/dbraw/zinc/68/74/75/459687475.db2.gz LQZHWSMUQCBTGT-KSSFIOAISA-N 1 2 334.423 3.363 20 30 EGEDLO N#CC1(Cc2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)CCCCC1 ZINC000596592616 459688657 /nfs/dbraw/zinc/68/86/57/459688657.db2.gz YYDAWHCRKHZRKX-HUUCEWRRSA-N 1 2 330.432 3.012 20 30 EGEDLO N#CC1(Cc2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)CCCCC1 ZINC000596592616 459688663 /nfs/dbraw/zinc/68/86/63/459688663.db2.gz YYDAWHCRKHZRKX-HUUCEWRRSA-N 1 2 330.432 3.012 20 30 EGEDLO Cc1cccc2[nH+]c(CCNC(=O)[C@H](C#N)CCc3ccccc3)cn21 ZINC000592937845 459720093 /nfs/dbraw/zinc/72/00/93/459720093.db2.gz HHRCUFSVULCIAQ-SFHVURJKSA-N 1 2 346.434 3.074 20 30 EGEDLO CC(C)O[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000593054879 459758693 /nfs/dbraw/zinc/75/86/93/459758693.db2.gz HHOFDVMXNYRZOY-HNNXBMFYSA-N 1 2 347.484 3.130 20 30 EGEDLO CC(C)O[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000593054879 459758694 /nfs/dbraw/zinc/75/86/94/459758694.db2.gz HHOFDVMXNYRZOY-HNNXBMFYSA-N 1 2 347.484 3.130 20 30 EGEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)sc1-c1ccc(F)cc1 ZINC000574222519 459793852 /nfs/dbraw/zinc/79/38/52/459793852.db2.gz DCXLYPIOZOSTEI-GOSISDBHSA-N 1 2 345.443 3.436 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000528509121 459809001 /nfs/dbraw/zinc/80/90/01/459809001.db2.gz RKYNTAVQHCRPKU-LJQANCHMSA-N 1 2 346.471 3.084 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000528509121 459809004 /nfs/dbraw/zinc/80/90/04/459809004.db2.gz RKYNTAVQHCRPKU-LJQANCHMSA-N 1 2 346.471 3.084 20 30 EGEDLO CCC(C#N)(CC)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000528802564 459814661 /nfs/dbraw/zinc/81/46/61/459814661.db2.gz BEECFRVDJQTJDZ-UHFFFAOYSA-N 1 2 338.455 3.462 20 30 EGEDLO COc1ccc2nc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)[nH]c2n1 ZINC000546228532 459904687 /nfs/dbraw/zinc/90/46/87/459904687.db2.gz LAWVLKWYFXZBEP-UHFFFAOYSA-N 1 2 333.395 3.003 20 30 EGEDLO COc1ccc2nc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)[nH]c2n1 ZINC000546228532 459904692 /nfs/dbraw/zinc/90/46/92/459904692.db2.gz LAWVLKWYFXZBEP-UHFFFAOYSA-N 1 2 333.395 3.003 20 30 EGEDLO CCOc1cc2c(cc1OCC)C[N@H+](Cc1cccc(C#N)n1)CC2 ZINC000602437790 459936860 /nfs/dbraw/zinc/93/68/60/459936860.db2.gz XWIHMSRQEZRKRQ-UHFFFAOYSA-N 1 2 337.423 3.309 20 30 EGEDLO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1cccc(C#N)n1)CC2 ZINC000602437790 459936864 /nfs/dbraw/zinc/93/68/64/459936864.db2.gz XWIHMSRQEZRKRQ-UHFFFAOYSA-N 1 2 337.423 3.309 20 30 EGEDLO C[C@H](CCC#N)C[N@@H+]1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000602482150 459959529 /nfs/dbraw/zinc/95/95/29/459959529.db2.gz MWGXFFTUMTYGAP-IUODEOHRSA-N 1 2 339.361 3.118 20 30 EGEDLO C[C@H](CCC#N)C[N@H+]1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000602482150 459959534 /nfs/dbraw/zinc/95/95/34/459959534.db2.gz MWGXFFTUMTYGAP-IUODEOHRSA-N 1 2 339.361 3.118 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N(Cc1[nH]cc[nH+]1)c1cncc(C)c1)OCC ZINC000575410144 459971390 /nfs/dbraw/zinc/97/13/90/459971390.db2.gz JJRQMVYLHJXARP-MRXNPFEDSA-N 1 2 328.416 3.018 20 30 EGEDLO C=CC[N@@H+](CCOC)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602629014 460031159 /nfs/dbraw/zinc/03/11/59/460031159.db2.gz DDZOAAGLINXRKE-UHFFFAOYSA-N 1 2 335.223 3.053 20 30 EGEDLO C=CC[N@H+](CCOC)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602629014 460031168 /nfs/dbraw/zinc/03/11/68/460031168.db2.gz DDZOAAGLINXRKE-UHFFFAOYSA-N 1 2 335.223 3.053 20 30 EGEDLO Cc1nc(C)c(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)o1 ZINC000589267686 460065006 /nfs/dbraw/zinc/06/50/06/460065006.db2.gz XPHAJOXAEYVOCO-KRWDZBQOSA-N 1 2 344.846 3.327 20 30 EGEDLO N#CC1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCC1 ZINC000602698422 460072773 /nfs/dbraw/zinc/07/27/73/460072773.db2.gz OCEGRGNOKHHZDL-UHFFFAOYSA-N 1 2 330.207 3.202 20 30 EGEDLO N#CC1(CC(=O)NCc2ccc[nH+]c2N2CCCC2)CCCCC1 ZINC000597940270 460120426 /nfs/dbraw/zinc/12/04/26/460120426.db2.gz GYBCTYPYYMTSAG-UHFFFAOYSA-N 1 2 326.444 3.162 20 30 EGEDLO N#C[C@H](CCc1ccccc1)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597940304 460120555 /nfs/dbraw/zinc/12/05/55/460120555.db2.gz IFFBTNWCLKGHEP-SFHVURJKSA-N 1 2 348.450 3.071 20 30 EGEDLO Cc1ccc([C@H](NC(=O)C[NH2+][C@H](C)CC#N)c2cccs2)cc1 ZINC000602864375 460165478 /nfs/dbraw/zinc/16/54/78/460165478.db2.gz RFMJGWDCFJXKTI-KDOFPFPSSA-N 1 2 327.453 3.154 20 30 EGEDLO C[C@H](CC#N)[NH2+]CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000602870724 460166552 /nfs/dbraw/zinc/16/65/52/460166552.db2.gz WBVMRQSRYRAPNO-GFCCVEGCSA-N 1 2 331.803 3.108 20 30 EGEDLO CC1(C)C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@@H]1c1ccco1 ZINC000602925715 460189463 /nfs/dbraw/zinc/18/94/63/460189463.db2.gz LGUJENLYNDAYSA-SJLPKXTDSA-N 1 2 335.407 3.340 20 30 EGEDLO CC1(C)C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@@H]1c1ccco1 ZINC000602925715 460189471 /nfs/dbraw/zinc/18/94/71/460189471.db2.gz LGUJENLYNDAYSA-SJLPKXTDSA-N 1 2 335.407 3.340 20 30 EGEDLO Cc1ncc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)s1 ZINC000602957333 460201393 /nfs/dbraw/zinc/20/13/93/460201393.db2.gz RUMGUGQZIFQBLE-SNVBAGLBSA-N 1 2 325.397 3.224 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1 ZINC000599470662 460259064 /nfs/dbraw/zinc/25/90/64/460259064.db2.gz VNSPGXLKLVLMBF-WBMJQRKESA-N 1 2 335.810 3.210 20 30 EGEDLO N#CC[C@H]1CCC[N@H+]([C@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1 ZINC000599470662 460259069 /nfs/dbraw/zinc/25/90/69/460259069.db2.gz VNSPGXLKLVLMBF-WBMJQRKESA-N 1 2 335.810 3.210 20 30 EGEDLO Cc1cccc2[nH+]c(Cn3cc(CC4(C#N)CCCCC4)nn3)cn21 ZINC000603220716 460267557 /nfs/dbraw/zinc/26/75/57/460267557.db2.gz XNLPCEVOOYCDOZ-UHFFFAOYSA-N 1 2 334.427 3.299 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCc3c(O)cccc3C2)c(OC(F)F)c1 ZINC000599646355 460296890 /nfs/dbraw/zinc/29/68/90/460296890.db2.gz INCWKELCRPIBLZ-UHFFFAOYSA-N 1 2 330.334 3.424 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCc3c(O)cccc3C2)c(OC(F)F)c1 ZINC000599646355 460296896 /nfs/dbraw/zinc/29/68/96/460296896.db2.gz INCWKELCRPIBLZ-UHFFFAOYSA-N 1 2 330.334 3.424 20 30 EGEDLO Cc1nc(C[NH+]2CCN(CCC#N)CC2)oc1-c1ccc(Cl)cc1 ZINC000611174686 460300986 /nfs/dbraw/zinc/30/09/86/460300986.db2.gz OVEJLJGAGIFJKG-UHFFFAOYSA-N 1 2 344.846 3.335 20 30 EGEDLO COCC[N@H+](Cc1nn(C)c2ccccc12)Cc1ccc(C#N)cc1 ZINC000611257745 460319655 /nfs/dbraw/zinc/31/96/55/460319655.db2.gz BIJLQRZGANUPRY-UHFFFAOYSA-N 1 2 334.423 3.094 20 30 EGEDLO COCC[N@@H+](Cc1nn(C)c2ccccc12)Cc1ccc(C#N)cc1 ZINC000611257745 460319660 /nfs/dbraw/zinc/31/96/60/460319660.db2.gz BIJLQRZGANUPRY-UHFFFAOYSA-N 1 2 334.423 3.094 20 30 EGEDLO N#Cc1ccc(Oc2ccc(NC(=O)CCc3c[nH+]c[nH]3)cn2)cc1 ZINC000619429052 460353831 /nfs/dbraw/zinc/35/38/31/460353831.db2.gz VWEFJSICBIFDFN-UHFFFAOYSA-N 1 2 333.351 3.040 20 30 EGEDLO N#Cc1ccc(Oc2ccc(NC(=O)CCc3c[nH]c[nH+]3)cn2)cc1 ZINC000619429052 460353835 /nfs/dbraw/zinc/35/38/35/460353835.db2.gz VWEFJSICBIFDFN-UHFFFAOYSA-N 1 2 333.351 3.040 20 30 EGEDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC000611428930 460363169 /nfs/dbraw/zinc/36/31/69/460363169.db2.gz DYHTYBHQPLURCI-CQSZACIVSA-N 1 2 326.469 3.279 20 30 EGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC=CCC2)c1C#N ZINC000611517199 460384683 /nfs/dbraw/zinc/38/46/83/460384683.db2.gz IDKYJDSTKZUFON-UHFFFAOYSA-N 1 2 334.423 3.166 20 30 EGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC=CCC2)c1C#N ZINC000611517199 460384689 /nfs/dbraw/zinc/38/46/89/460384689.db2.gz IDKYJDSTKZUFON-UHFFFAOYSA-N 1 2 334.423 3.166 20 30 EGEDLO C=CCOc1c(Cl)cc(C[N@@H+](CC(=O)OC)C(C)C)cc1OC ZINC000600110918 460386290 /nfs/dbraw/zinc/38/62/90/460386290.db2.gz HTNAHLIICCGITQ-UHFFFAOYSA-N 1 2 341.835 3.297 20 30 EGEDLO C=CCOc1c(Cl)cc(C[N@H+](CC(=O)OC)C(C)C)cc1OC ZINC000600110918 460386295 /nfs/dbraw/zinc/38/62/95/460386295.db2.gz HTNAHLIICCGITQ-UHFFFAOYSA-N 1 2 341.835 3.297 20 30 EGEDLO Cc1onc(CC(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)c1C#N ZINC000611527304 460389213 /nfs/dbraw/zinc/38/92/13/460389213.db2.gz MZLHSDLTNXPYKA-UHFFFAOYSA-N 1 2 349.394 3.112 20 30 EGEDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000611555323 460397353 /nfs/dbraw/zinc/39/73/53/460397353.db2.gz WWTAORNTHVMTMK-KOLCDFICSA-N 1 2 331.363 3.221 20 30 EGEDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CC(=O)Nc1sccc1C#N ZINC000611555323 460397359 /nfs/dbraw/zinc/39/73/59/460397359.db2.gz WWTAORNTHVMTMK-KOLCDFICSA-N 1 2 331.363 3.221 20 30 EGEDLO N#Cc1ccc(C[N@@H+](Cc2nc3ccccc3c(=O)[nH]2)C2CC2)cc1 ZINC000604492696 460435239 /nfs/dbraw/zinc/43/52/39/460435239.db2.gz ZKTWNXZHFQNQFM-UHFFFAOYSA-N 1 2 330.391 3.372 20 30 EGEDLO N#Cc1ccc(C[N@H+](Cc2nc3ccccc3c(=O)[nH]2)C2CC2)cc1 ZINC000604492696 460435244 /nfs/dbraw/zinc/43/52/44/460435244.db2.gz ZKTWNXZHFQNQFM-UHFFFAOYSA-N 1 2 330.391 3.372 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](CC(=O)Nc1cc(F)cc(C#N)c1)C(F)(F)F ZINC000601710124 460880191 /nfs/dbraw/zinc/88/01/91/460880191.db2.gz IOYQMQVFVXVTHP-GFCCVEGCSA-N 1 2 340.280 3.106 20 30 EGEDLO C=CCCn1cc(C[NH+]2CCC(OCCc3ccccc3)CC2)nn1 ZINC000653509446 461687891 /nfs/dbraw/zinc/68/78/91/461687891.db2.gz HPIQNGNKDCSIIQ-UHFFFAOYSA-N 1 2 340.471 3.078 20 30 EGEDLO C=CC[C@@H]1CCCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000660289993 461689689 /nfs/dbraw/zinc/68/96/89/461689689.db2.gz ATHSXDIZEUEALG-QGZVFWFLSA-N 1 2 338.455 3.429 20 30 EGEDLO C=CC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000660305986 461698576 /nfs/dbraw/zinc/69/85/76/461698576.db2.gz PFLDKBPAURQPAW-MRXNPFEDSA-N 1 2 328.460 3.180 20 30 EGEDLO C=CCCn1cc(C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)nn1 ZINC000653558431 461720269 /nfs/dbraw/zinc/72/02/69/461720269.db2.gz BOEUXCZZMVTWJZ-INIZCTEOSA-N 1 2 342.418 3.088 20 30 EGEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)nn1 ZINC000653558431 461720276 /nfs/dbraw/zinc/72/02/76/461720276.db2.gz BOEUXCZZMVTWJZ-INIZCTEOSA-N 1 2 342.418 3.088 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000660538448 461839085 /nfs/dbraw/zinc/83/90/85/461839085.db2.gz HDYWFYOJCCYNSG-GUDVDZBRSA-N 1 2 344.503 3.289 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000660538448 461839089 /nfs/dbraw/zinc/83/90/89/461839089.db2.gz HDYWFYOJCCYNSG-GUDVDZBRSA-N 1 2 344.503 3.289 20 30 EGEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC000653756514 461843816 /nfs/dbraw/zinc/84/38/16/461843816.db2.gz ATAWQDVKXJYJEZ-YPMHNXCESA-N 1 2 327.384 3.244 20 30 EGEDLO C=CCCn1cc(C[NH2+]Cc2ccccc2OCC(F)(F)F)nn1 ZINC000657324368 462046951 /nfs/dbraw/zinc/04/69/51/462046951.db2.gz QSRYQQRDYALJDP-UHFFFAOYSA-N 1 2 340.349 3.085 20 30 EGEDLO C=C[C@H](CC(=O)N1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000129386864 527573720 /nfs/dbraw/zinc/57/37/20/527573720.db2.gz FSRHJAXRBDTONL-LJQANCHMSA-N 1 2 335.451 3.086 20 30 EGEDLO COc1ccc(F)c(N2CC[NH+](Cc3cc(C#N)cs3)CC2)c1 ZINC000361734836 536600542 /nfs/dbraw/zinc/60/05/42/536600542.db2.gz QOTYOFUVNCRXKM-UHFFFAOYSA-N 1 2 331.416 3.090 20 30 EGEDLO COc1ccc2c(c1)OCC[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)C2 ZINC000328701010 547483645 /nfs/dbraw/zinc/48/36/45/547483645.db2.gz NBCRHSPRBGXHOH-RHSMWYFYSA-N 1 2 332.444 3.425 20 30 EGEDLO COc1ccc2c(c1)OCC[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)C2 ZINC000328701010 547483650 /nfs/dbraw/zinc/48/36/50/547483650.db2.gz NBCRHSPRBGXHOH-RHSMWYFYSA-N 1 2 332.444 3.425 20 30 EGEDLO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCc2sc(C)nc2C)C1 ZINC000329778968 547507072 /nfs/dbraw/zinc/50/70/72/547507072.db2.gz QPSKRIITAWMWPC-AWEZNQCLSA-N 1 2 347.488 3.270 20 30 EGEDLO FC(F)(F)Oc1ccc(C#CCN2CCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000374854850 547812886 /nfs/dbraw/zinc/81/28/86/547812886.db2.gz GPOPDVVRKFNNBC-HNNXBMFYSA-N 1 2 335.329 3.497 20 30 EGEDLO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000374854850 547812890 /nfs/dbraw/zinc/81/28/90/547812890.db2.gz GPOPDVVRKFNNBC-HNNXBMFYSA-N 1 2 335.329 3.497 20 30 EGEDLO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000374854850 547812892 /nfs/dbraw/zinc/81/28/92/547812892.db2.gz GPOPDVVRKFNNBC-HNNXBMFYSA-N 1 2 335.329 3.497 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674464202 548755368 /nfs/dbraw/zinc/75/53/68/548755368.db2.gz XMPXDMCZCWYTJO-GHMZBOCLSA-N 1 2 346.315 3.084 20 30 EGEDLO C=CCCCCNC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000681163779 549962883 /nfs/dbraw/zinc/96/28/83/549962883.db2.gz NRXGMYHZGNYDJL-UHFFFAOYSA-N 1 2 345.487 3.187 20 30 EGEDLO COc1ccccc1[C@@H](C)N(C)C(=O)C[N@H+](CCC#N)CC(C)C ZINC000739914853 574576518 /nfs/dbraw/zinc/57/65/18/574576518.db2.gz PGKUUNWRENFTLP-MRXNPFEDSA-N 1 2 331.460 3.086 20 30 EGEDLO COc1ccccc1[C@@H](C)N(C)C(=O)C[N@@H+](CCC#N)CC(C)C ZINC000739914853 574576519 /nfs/dbraw/zinc/57/65/19/574576519.db2.gz PGKUUNWRENFTLP-MRXNPFEDSA-N 1 2 331.460 3.086 20 30 EGEDLO C=CCn1c(-c2ccco2)nn(C[N@H+](CC)C[C@H]2CCOC2)c1=S ZINC000738083980 574682645 /nfs/dbraw/zinc/68/26/45/574682645.db2.gz YLIQHJRQCGKBGQ-CQSZACIVSA-N 1 2 348.472 3.176 20 30 EGEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+](CC)C[C@H]2CCOC2)c1=S ZINC000738083980 574682647 /nfs/dbraw/zinc/68/26/47/574682647.db2.gz YLIQHJRQCGKBGQ-CQSZACIVSA-N 1 2 348.472 3.176 20 30 EGEDLO Cn1cc[nH+]c1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000728688194 574766780 /nfs/dbraw/zinc/76/67/80/574766780.db2.gz VEUFCEJWRMDBTD-GOSISDBHSA-N 1 2 345.406 3.397 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1oc2ccc(OC)cc2c1C ZINC000730286482 574966343 /nfs/dbraw/zinc/96/63/43/574966343.db2.gz CBCKXKALZSUFBQ-PBHICJAKSA-N 1 2 340.423 3.025 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1oc2ccc(OC)cc2c1C ZINC000730286482 574966346 /nfs/dbraw/zinc/96/63/46/574966346.db2.gz CBCKXKALZSUFBQ-PBHICJAKSA-N 1 2 340.423 3.025 20 30 EGEDLO Cc1cccc2[nH+]c(CNC(=O)c3ccccc3SCC#N)cn21 ZINC000731653014 575194432 /nfs/dbraw/zinc/19/44/32/575194432.db2.gz VGOKBZPJSIEHDG-UHFFFAOYSA-N 1 2 336.420 3.188 20 30 EGEDLO C#CC(C)(C)NC(=O)c1ccc(OCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000733976377 575417015 /nfs/dbraw/zinc/41/70/15/575417015.db2.gz AKQCULHYOATKRJ-UHFFFAOYSA-N 1 2 347.418 3.363 20 30 EGEDLO Cc1ccc(C(=O)Nc2cnn(CC#N)c2)cc1Oc1cc[nH+]cc1 ZINC000734432549 575487334 /nfs/dbraw/zinc/48/73/34/575487334.db2.gz KHWHOADITIMXBG-UHFFFAOYSA-N 1 2 333.351 3.155 20 30 EGEDLO Clc1ccc2[nH+]cc(CN=Nc3ncnc4sccc43)n2c1 ZINC000737426880 576227725 /nfs/dbraw/zinc/22/77/25/576227725.db2.gz GMVKSSKKMKGOJG-UHFFFAOYSA-N 1 2 328.788 3.438 20 30 EGEDLO C#CC[NH+]1CCN(C(=O)C[C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000742073929 576746584 /nfs/dbraw/zinc/74/65/84/576746584.db2.gz DGYRXQDHYNTIKR-QFIPXVFZSA-N 1 2 346.474 3.180 20 30 EGEDLO C=C(C)CN(C)c1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000823878125 609318391 /nfs/dbraw/zinc/31/83/91/609318391.db2.gz PYYKDTIXGAYMFJ-UHFFFAOYSA-N 1 2 346.341 3.029 20 30 EGEDLO Cc1cccc(C)c1NC(=O)CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000063458119 1292010207 /nfs/dbraw/zinc/01/02/07/1292010207.db2.gz XGGJAUYWIKUGEP-UHFFFAOYSA-N 1 2 329.375 3.027 20 30 EGEDLO Cc1ccccc1[C@H]1CC(=O)N(C[N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000076919009 1292449410 /nfs/dbraw/zinc/44/94/10/1292449410.db2.gz AQPPAIPZZWGFMV-IBGZPJMESA-N 1 2 333.435 3.272 20 30 EGEDLO Cc1ccccc1[C@H]1CC(=O)N(C[N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000076919009 1292449415 /nfs/dbraw/zinc/44/94/15/1292449415.db2.gz AQPPAIPZZWGFMV-IBGZPJMESA-N 1 2 333.435 3.272 20 30 EGEDLO O=C(C#Cc1cccs1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000829006441 1292528630 /nfs/dbraw/zinc/52/86/30/1292528630.db2.gz VURIJWPKPAEFFA-UHFFFAOYSA-N 1 2 327.453 3.015 20 30 EGEDLO C#CC1CC[NH+](Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)CC1 ZINC000830333880 1292707165 /nfs/dbraw/zinc/70/71/65/1292707165.db2.gz MWZGVKMHMLWPBF-UHFFFAOYSA-N 1 2 335.329 3.199 20 30 EGEDLO N#Cc1ccc(F)c(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000832011629 1292944754 /nfs/dbraw/zinc/94/47/54/1292944754.db2.gz XVMCYGLOCJIQRC-UHFFFAOYSA-N 1 2 340.402 3.226 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000102885013 1292983982 /nfs/dbraw/zinc/98/39/82/1292983982.db2.gz BJELFQRMOUMAAA-GOSISDBHSA-N 1 2 337.398 3.103 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000102885013 1292983987 /nfs/dbraw/zinc/98/39/87/1292983987.db2.gz BJELFQRMOUMAAA-GOSISDBHSA-N 1 2 337.398 3.103 20 30 EGEDLO C#CCOc1ccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000108522810 1293082495 /nfs/dbraw/zinc/08/24/95/1293082495.db2.gz QUXWAAMMZUJHON-UHFFFAOYSA-N 1 2 346.390 3.206 20 30 EGEDLO CC(=[NH+]N[C@@H](C)C(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000835001922 1293184762 /nfs/dbraw/zinc/18/47/62/1293184762.db2.gz PQTWQKMIQFEDEY-NSHDSACASA-N 1 2 349.784 3.441 20 30 EGEDLO C[C@@H]1C[C@H](/N=C/c2cc([N+](=O)[O-])ccc2O)C[N@@H+]1Cc1ccccc1 ZINC000158182767 1294198279 /nfs/dbraw/zinc/19/82/79/1294198279.db2.gz AWSOZIIAOHHKTH-SJCPJDRESA-N 1 2 339.395 3.382 20 30 EGEDLO C[C@@H]1C[C@H](/N=C/c2cc([N+](=O)[O-])ccc2O)C[N@H+]1Cc1ccccc1 ZINC000158182767 1294198282 /nfs/dbraw/zinc/19/82/82/1294198282.db2.gz AWSOZIIAOHHKTH-SJCPJDRESA-N 1 2 339.395 3.382 20 30 EGEDLO C=CCc1cc(OC)cc(C[N@H+](C)Cc2nccn2C(F)F)c1O ZINC000163899841 1294340600 /nfs/dbraw/zinc/34/06/00/1294340600.db2.gz ODAJZTMOWNMAJI-UHFFFAOYSA-N 1 2 337.370 3.353 20 30 EGEDLO C=CCc1cc(OC)cc(C[N@@H+](C)Cc2nccn2C(F)F)c1O ZINC000163899841 1294340607 /nfs/dbraw/zinc/34/06/07/1294340607.db2.gz ODAJZTMOWNMAJI-UHFFFAOYSA-N 1 2 337.370 3.353 20 30 EGEDLO N#Cc1cc(F)ccc1NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000177913905 1294701583 /nfs/dbraw/zinc/70/15/83/1294701583.db2.gz OTHRNJTWBHXKAS-UHFFFAOYSA-N 1 2 335.342 3.205 20 30 EGEDLO CC(C)(C)[C@H](NC(=O)CO[NH+]=C(N)c1ccccc1)c1cccs1 ZINC000178150304 1294718760 /nfs/dbraw/zinc/71/87/60/1294718760.db2.gz RDWNHDBTBANGFI-MRXNPFEDSA-N 1 2 345.468 3.289 20 30 EGEDLO C#CCOc1ccccc1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000188032580 1295430672 /nfs/dbraw/zinc/43/06/72/1295430672.db2.gz BFUUQLJFMDGBDY-UHFFFAOYSA-N 1 2 346.390 3.206 20 30 EGEDLO C=CCn1c2ccccc2n(C[N@H+]2CC[C@@H](OCCOC)C2)c1=S ZINC000188907263 1295488643 /nfs/dbraw/zinc/48/86/43/1295488643.db2.gz OAYSIVQCZYULTG-OAHLLOKOSA-N 1 2 347.484 3.053 20 30 EGEDLO C=CCn1c2ccccc2n(C[N@@H+]2CC[C@@H](OCCOC)C2)c1=S ZINC000188907263 1295488649 /nfs/dbraw/zinc/48/86/49/1295488649.db2.gz OAYSIVQCZYULTG-OAHLLOKOSA-N 1 2 347.484 3.053 20 30 EGEDLO O=[N+]([O-])c1ccc(O)c(/C=N/C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000195162892 1296042882 /nfs/dbraw/zinc/04/28/82/1296042882.db2.gz QEVSCAVZZZBEQK-DORSJAEJSA-N 1 2 339.395 3.241 20 30 EGEDLO O=[N+]([O-])c1ccc(O)c(/C=N/C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000195162892 1296042887 /nfs/dbraw/zinc/04/28/87/1296042887.db2.gz QEVSCAVZZZBEQK-DORSJAEJSA-N 1 2 339.395 3.241 20 30 EGEDLO CC(=O)c1ccccc1OCCO[NH+]=C(N)Cc1ccccc1Cl ZINC000195737144 1296079306 /nfs/dbraw/zinc/07/93/06/1296079306.db2.gz HYQGOMIQUMZPFO-UHFFFAOYSA-N 1 2 346.814 3.453 20 30 EGEDLO CCCCCCCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000248293809 1296409711 /nfs/dbraw/zinc/40/97/11/1296409711.db2.gz VNGLIYJUZQHJQR-UHFFFAOYSA-N 1 2 332.488 3.496 20 30 EGEDLO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000746456689 1298590170 /nfs/dbraw/zinc/59/01/70/1298590170.db2.gz FFAYPLSHKRBCJY-ZDUSSCGKSA-N 1 2 329.469 3.171 20 30 EGEDLO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000746456689 1298590177 /nfs/dbraw/zinc/59/01/77/1298590177.db2.gz FFAYPLSHKRBCJY-ZDUSSCGKSA-N 1 2 329.469 3.171 20 30 EGEDLO C#CC[N@@H+](CC)Cc1nnc(-c2ccc(Br)s2)o1 ZINC000749154617 1299154035 /nfs/dbraw/zinc/15/40/35/1299154035.db2.gz DUWUZAQBPJRJKS-UHFFFAOYSA-N 1 2 326.219 3.016 20 30 EGEDLO C#CC[N@H+](CC)Cc1nnc(-c2ccc(Br)s2)o1 ZINC000749154617 1299154038 /nfs/dbraw/zinc/15/40/38/1299154038.db2.gz DUWUZAQBPJRJKS-UHFFFAOYSA-N 1 2 326.219 3.016 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000877484440 1299335996 /nfs/dbraw/zinc/33/59/96/1299335996.db2.gz GLOGHOJXPYOWOU-UHFFFAOYSA-N 1 2 326.400 3.063 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000877484440 1299336008 /nfs/dbraw/zinc/33/60/08/1299336008.db2.gz GLOGHOJXPYOWOU-UHFFFAOYSA-N 1 2 326.400 3.063 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[NH+]2C[C@@H](C)[C@H](C)C2)c1=S ZINC000751926740 1299655410 /nfs/dbraw/zinc/65/54/10/1299655410.db2.gz WGRAOCQUWWUVIJ-ZIAGYGMSSA-N 1 2 329.473 3.207 20 30 EGEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCOC[C@@H]1CC(C)C)c1ccccc1 ZINC000878108572 1299753512 /nfs/dbraw/zinc/75/35/12/1299753512.db2.gz WLEIHWQPONJDLC-PMACEKPBSA-N 1 2 328.456 3.174 20 30 EGEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCOC[C@@H]1CC(C)C)c1ccccc1 ZINC000878108572 1299753524 /nfs/dbraw/zinc/75/35/24/1299753524.db2.gz WLEIHWQPONJDLC-PMACEKPBSA-N 1 2 328.456 3.174 20 30 EGEDLO Fc1ccccc1-c1ccc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)o1 ZINC000753940757 1300048806 /nfs/dbraw/zinc/04/88/06/1300048806.db2.gz VJHVCSBTOURAOB-IYBDPMFKSA-N 1 2 326.375 3.280 20 30 EGEDLO C[C@@H]1CC(=NN2C(=O)c3cccc4cccc(c43)C2=O)C[N@@H+]1C1CC1 ZINC000753954714 1300052953 /nfs/dbraw/zinc/05/29/53/1300052953.db2.gz GGATVNMOXAZJER-GFCCVEGCSA-N 1 2 333.391 3.048 20 30 EGEDLO C[C@@H]1CC(=NN2C(=O)c3cccc4cccc(c43)C2=O)C[N@H+]1C1CC1 ZINC000753954714 1300052965 /nfs/dbraw/zinc/05/29/65/1300052965.db2.gz GGATVNMOXAZJER-GFCCVEGCSA-N 1 2 333.391 3.048 20 30 EGEDLO COC(=O)c1cc(CO[NH+]=C(N)c2ccc(F)c(C)c2)c(C)s1 ZINC000756861447 1300579584 /nfs/dbraw/zinc/57/95/84/1300579584.db2.gz TUXYHZNVELXCPY-UHFFFAOYSA-N 1 2 336.388 3.128 20 30 EGEDLO Cc1ccn(C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)c(=O)c1C#N ZINC000758180310 1300799987 /nfs/dbraw/zinc/79/99/87/1300799987.db2.gz BFJDQKPSBFTDIQ-UHFFFAOYSA-N 1 2 336.222 3.425 20 30 EGEDLO Cc1ccn(C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)c(=O)c1C#N ZINC000758180310 1300799992 /nfs/dbraw/zinc/79/99/92/1300799992.db2.gz BFJDQKPSBFTDIQ-UHFFFAOYSA-N 1 2 336.222 3.425 20 30 EGEDLO COc1ccccc1[C@H]1CCCC[N@@H+]1Cn1ccc(C)c(C#N)c1=O ZINC000758220928 1300819679 /nfs/dbraw/zinc/81/96/79/1300819679.db2.gz UMJQQBWZOYDEMW-GOSISDBHSA-N 1 2 337.423 3.222 20 30 EGEDLO COc1ccccc1[C@H]1CCCC[N@H+]1Cn1ccc(C)c(C#N)c1=O ZINC000758220928 1300819697 /nfs/dbraw/zinc/81/96/97/1300819697.db2.gz UMJQQBWZOYDEMW-GOSISDBHSA-N 1 2 337.423 3.222 20 30 EGEDLO CCC(=[NH+]Nc1nc2ccccc2c(=O)n1C)c1ccc(N(C)C)cc1 ZINC000759197933 1301039118 /nfs/dbraw/zinc/03/91/18/1301039118.db2.gz YMIXRBITKWAABT-UHFFFAOYSA-N 1 2 349.438 3.226 20 30 EGEDLO C=CC[C@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccncc1 ZINC000759582923 1301122196 /nfs/dbraw/zinc/12/21/96/1301122196.db2.gz REPQPNIDTGASLI-BPQIPLTHSA-N 1 2 339.443 3.188 20 30 EGEDLO C#CC[N@@H+](CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1)C1CC1 ZINC000763951608 1301987249 /nfs/dbraw/zinc/98/72/49/1301987249.db2.gz YRUIWPYTRCLSOG-HXUWFJFHSA-N 1 2 328.431 3.271 20 30 EGEDLO C#CC[N@H+](CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1)C1CC1 ZINC000763951608 1301987256 /nfs/dbraw/zinc/98/72/56/1301987256.db2.gz YRUIWPYTRCLSOG-HXUWFJFHSA-N 1 2 328.431 3.271 20 30 EGEDLO C#CCCOc1ccc(C[N@H+](C)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000768159744 1302840830 /nfs/dbraw/zinc/84/08/30/1302840830.db2.gz INLVGUWWYGMJAF-UHFFFAOYSA-N 1 2 347.418 3.370 20 30 EGEDLO C#CCCOc1ccc(C[N@@H+](C)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000768159744 1302840843 /nfs/dbraw/zinc/84/08/43/1302840843.db2.gz INLVGUWWYGMJAF-UHFFFAOYSA-N 1 2 347.418 3.370 20 30 EGEDLO C#CCOc1ccccc1C[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000768426923 1302900162 /nfs/dbraw/zinc/90/01/62/1302900162.db2.gz VSKDZHNWDXRYQI-FQEVSTJZSA-N 1 2 325.383 3.411 20 30 EGEDLO C#CCOc1ccccc1C[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000768426923 1302900167 /nfs/dbraw/zinc/90/01/67/1302900167.db2.gz VSKDZHNWDXRYQI-FQEVSTJZSA-N 1 2 325.383 3.411 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cnc3ccccc3c2)c1 ZINC000768915501 1303011680 /nfs/dbraw/zinc/01/16/80/1303011680.db2.gz JJMXVJHPYUFRDR-UHFFFAOYSA-N 1 2 329.403 3.287 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cnc3ccccc3c2)c1 ZINC000768915501 1303011682 /nfs/dbraw/zinc/01/16/82/1303011682.db2.gz JJMXVJHPYUFRDR-UHFFFAOYSA-N 1 2 329.403 3.287 20 30 EGEDLO Cc1c(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)nnn1-c1ccccc1 ZINC000771862482 1303451681 /nfs/dbraw/zinc/45/16/81/1303451681.db2.gz YPZWNSYDLBRWMQ-KTKRTIGZSA-N 1 2 343.390 3.428 20 30 EGEDLO C#C[C@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)[C@H]1CCCO1 ZINC000775571339 1303986088 /nfs/dbraw/zinc/98/60/88/1303986088.db2.gz FRQJASLFCPAMHO-BIGNPOOSSA-N 1 2 342.208 3.125 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1c(C)nn(-c2ccccc2)c1Cl)[C@@H]1CCCO1 ZINC000775793133 1304038451 /nfs/dbraw/zinc/03/84/51/1304038451.db2.gz VKOGTILFICAEDE-SJORKVTESA-N 1 2 329.831 3.105 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cccc(C(=O)NC)c1 ZINC000778155866 1304405058 /nfs/dbraw/zinc/40/50/58/1304405058.db2.gz JXFPPPWYTWOSTJ-UHFFFAOYSA-N 1 2 342.826 3.001 20 30 EGEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000778571108 1304467865 /nfs/dbraw/zinc/46/78/65/1304467865.db2.gz YAJCRMRTZLDTSB-HNNXBMFYSA-N 1 2 330.819 3.253 20 30 EGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000780670893 1304723633 /nfs/dbraw/zinc/72/36/33/1304723633.db2.gz RSPMNIDHMDACRN-CABCVRRESA-N 1 2 339.399 3.043 20 30 EGEDLO NC(=[NH+]OCc1cccnc1Cl)c1ccc(Br)cc1 ZINC000782950179 1305027210 /nfs/dbraw/zinc/02/72/10/1305027210.db2.gz SNMMGRYSSVGWHJ-UHFFFAOYSA-N 1 2 340.608 3.335 20 30 EGEDLO N#Cc1ccc(N[NH+]=Cc2cnc(N3CCCC3)nc2)cc1Cl ZINC000783880850 1305157192 /nfs/dbraw/zinc/15/71/92/1305157192.db2.gz PTZHNDOTYVQZSY-UHFFFAOYSA-N 1 2 326.791 3.048 20 30 EGEDLO N#Cc1cc(NCC[N@@H+]2CCc3sccc3C2)c([N+](=O)[O-])s1 ZINC000891965451 1305221309 /nfs/dbraw/zinc/22/13/09/1305221309.db2.gz KFMXAUABNGWMOY-UHFFFAOYSA-N 1 2 334.426 3.060 20 30 EGEDLO N#Cc1cc(NCC[N@H+]2CCc3sccc3C2)c([N+](=O)[O-])s1 ZINC000891965451 1305221316 /nfs/dbraw/zinc/22/13/16/1305221316.db2.gz KFMXAUABNGWMOY-UHFFFAOYSA-N 1 2 334.426 3.060 20 30 EGEDLO C=CC[N@@H+](Cc1cc(Br)nn1C)Cc1cccc(C#N)c1 ZINC000787130564 1305694971 /nfs/dbraw/zinc/69/49/71/1305694971.db2.gz WQHAHLVIRFEIKV-UHFFFAOYSA-N 1 2 345.244 3.242 20 30 EGEDLO C=CC[N@H+](Cc1cc(Br)nn1C)Cc1cccc(C#N)c1 ZINC000787130564 1305694974 /nfs/dbraw/zinc/69/49/74/1305694974.db2.gz WQHAHLVIRFEIKV-UHFFFAOYSA-N 1 2 345.244 3.242 20 30 EGEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)c2noc(-c3ccccc3)n2)cc1 ZINC000787905100 1305822377 /nfs/dbraw/zinc/82/23/77/1305822377.db2.gz HVKXNBGJYAOMLJ-LBPRGKRZSA-N 1 2 338.367 3.143 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(CCC#N)CC(C)C ZINC000793245191 1309328984 /nfs/dbraw/zinc/32/89/84/1309328984.db2.gz JDHUQPMYSDPWGR-UHFFFAOYSA-N 1 2 334.370 3.021 20 30 EGEDLO Cn1c(CC#N)nn(C[NH+]2CCC(C)(c3ccccc3)CC2)c1=S ZINC000794636486 1309561667 /nfs/dbraw/zinc/56/16/67/1309561667.db2.gz JFENRCOLUUDNIC-UHFFFAOYSA-N 1 2 341.484 3.028 20 30 EGEDLO COc1cc2c(cc1OC)C(=O)/C(=C/c1ncc(C[NH+](C)C)s1)C2 ZINC000794715583 1309581175 /nfs/dbraw/zinc/58/11/75/1309581175.db2.gz XOAJGIXNPOVKHS-KPKJPENVSA-N 1 2 344.436 3.044 20 30 EGEDLO COc1cccc2c1CC/C(=C\c1ncc(C[NH+](C)C)s1)C2=O ZINC000794714513 1309582038 /nfs/dbraw/zinc/58/20/38/1309582038.db2.gz SEBALIWRBNMZOU-FMIVXFBMSA-N 1 2 328.437 3.426 20 30 EGEDLO C[C@@H]1CC[C@H](c2ccccc2)[N@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000795697944 1309812240 /nfs/dbraw/zinc/81/22/40/1309812240.db2.gz CWRGAWVQNFKSAM-GDBMZVCRSA-N 1 2 341.484 3.448 20 30 EGEDLO C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000795697944 1309812250 /nfs/dbraw/zinc/81/22/50/1309812250.db2.gz CWRGAWVQNFKSAM-GDBMZVCRSA-N 1 2 341.484 3.448 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Oc1ccc(C#N)c(C)c1 ZINC000797008737 1310123595 /nfs/dbraw/zinc/12/35/95/1310123595.db2.gz WJWSQNXUXFXZFH-UHFFFAOYSA-N 1 2 341.317 3.409 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]C/C=C/c2ccc(F)cc2)[C@@H](C#N)C1 ZINC000798274635 1310333538 /nfs/dbraw/zinc/33/35/38/1310333538.db2.gz HUKMBVSJEJUOBB-SBXOADHZSA-N 1 2 345.418 3.188 20 30 EGEDLO CC(C)(CO)CN[NH+]=Cc1sc(Nc2ccccc2)nc1Cl ZINC000799115310 1310488881 /nfs/dbraw/zinc/48/88/81/1310488881.db2.gz BVUBHCYUCSVZRZ-UHFFFAOYSA-N 1 2 338.864 3.482 20 30 EGEDLO Cc1cc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc(Cl)n1 ZINC000800528630 1310777735 /nfs/dbraw/zinc/77/77/35/1310777735.db2.gz SNIDURDFEYJINR-UHFFFAOYSA-N 1 2 326.831 3.496 20 30 EGEDLO COc1ccc(C(N)=[NH+]OC[C@H](OC)c2ccc(Cl)cc2)cc1 ZINC000800867434 1310821674 /nfs/dbraw/zinc/82/16/74/1310821674.db2.gz CCPCJOYSTQYKBE-INIZCTEOSA-N 1 2 334.803 3.373 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](CCc3c(F)cccc3Cl)CC2)cn1 ZINC000801550794 1310965008 /nfs/dbraw/zinc/96/50/08/1310965008.db2.gz FQJHYWWDIRYLNA-UHFFFAOYSA-N 1 2 344.821 3.110 20 30 EGEDLO C#C[C@H](NC(=O)c1cccc2[nH+]ccn21)c1ccc(Cl)cc1F ZINC000804424280 1317234599 /nfs/dbraw/zinc/23/45/99/1317234599.db2.gz HVKPMQFGCVGRJC-AWEZNQCLSA-N 1 2 327.746 3.231 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)C2CC(c3cccc(F)c3)C2)C1 ZINC000957464023 1317381754 /nfs/dbraw/zinc/38/17/54/1317381754.db2.gz HXPLHTPCIMHSCS-UHFFFAOYSA-N 1 2 330.447 3.428 20 30 EGEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3cccc(-n4ccnn4)c3)n2c1 ZINC000806575572 1317505439 /nfs/dbraw/zinc/50/54/39/1317505439.db2.gz GZNLHHMCHVVURL-SREVYHEPSA-N 1 2 329.363 3.120 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@H](c2ccc(F)cc2)CC1=O ZINC000902048791 1317513465 /nfs/dbraw/zinc/51/34/65/1317513465.db2.gz INHREBIIPBUMLF-GOSISDBHSA-N 1 2 337.398 3.103 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C[C@H](c2ccc(F)cc2)CC1=O ZINC000902048791 1317513470 /nfs/dbraw/zinc/51/34/70/1317513470.db2.gz INHREBIIPBUMLF-GOSISDBHSA-N 1 2 337.398 3.103 20 30 EGEDLO Cc1cc(C(N)=[NH+]OC[C@@H]2CCCN(C(=O)C(C)(C)C)C2)ccc1F ZINC000902220793 1317546807 /nfs/dbraw/zinc/54/68/07/1317546807.db2.gz AHATZWDXBBWXPK-CQSZACIVSA-N 1 2 349.450 3.056 20 30 EGEDLO C=C[C@H](C(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000957743928 1317607626 /nfs/dbraw/zinc/60/76/26/1317607626.db2.gz DOSHDUSHXIUZAF-NRFANRHFSA-N 1 2 345.446 3.172 20 30 EGEDLO C[C@H]([NH2+]CC(C)(C)C#N)c1ccccc1I ZINC000903099988 1317653338 /nfs/dbraw/zinc/65/33/38/1317653338.db2.gz FECKPGOSWHWQCN-JTQLQIEISA-N 1 2 328.197 3.492 20 30 EGEDLO O=C([C@H]1CCn2c[nH+]cc2C1)N(O)Cc1cc(Cl)cc(Cl)c1 ZINC000904179736 1317804451 /nfs/dbraw/zinc/80/44/51/1317804451.db2.gz BWKRCNKCKQCELC-NSHDSACASA-N 1 2 340.210 3.170 20 30 EGEDLO C#Cc1ccccc1CC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000810452075 1318010039 /nfs/dbraw/zinc/01/00/39/1318010039.db2.gz CCKPRDOJUVZEBR-FQEVSTJZSA-N 1 2 343.430 3.044 20 30 EGEDLO CCNc1cc(CNC(=O)Nc2cc(C#N)ccc2OCC)cc[nH+]1 ZINC000929943777 1328744876 /nfs/dbraw/zinc/74/48/76/1328744876.db2.gz YIZGZLUATBGPMA-UHFFFAOYSA-N 1 2 339.399 3.105 20 30 EGEDLO C#C[C@H]([NH2+]Cc1cc(Br)nn1C)c1ccc(Cl)cc1 ZINC000811516202 1318192038 /nfs/dbraw/zinc/19/20/38/1318192038.db2.gz GQAQMCDHZINDKB-ZDUSSCGKSA-N 1 2 338.636 3.300 20 30 EGEDLO CC(=[NH+]Nc1cccc([N+](=O)[O-])c1C)c1cc([N+](=O)[O-])ccc1N ZINC000814833798 1318827768 /nfs/dbraw/zinc/82/77/68/1318827768.db2.gz KIKUGIPHYBVAKX-UHFFFAOYSA-N 1 2 329.316 3.230 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2coc(C)n2)CC1 ZINC000960829156 1318954735 /nfs/dbraw/zinc/95/47/35/1318954735.db2.gz GEFMGBWDQHRGGK-SFHVURJKSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2coc(C)n2)CC1 ZINC000960829156 1318954742 /nfs/dbraw/zinc/95/47/42/1318954742.db2.gz GEFMGBWDQHRGGK-SFHVURJKSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2ccn(CC)n2)CC1 ZINC000960834111 1318962432 /nfs/dbraw/zinc/96/24/32/1318962432.db2.gz SLSKGXIFIHPTND-IBGZPJMESA-N 1 2 344.503 3.072 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2ccn(CC)n2)CC1 ZINC000960834111 1318962442 /nfs/dbraw/zinc/96/24/42/1318962442.db2.gz SLSKGXIFIHPTND-IBGZPJMESA-N 1 2 344.503 3.072 20 30 EGEDLO CSc1ccccc1NC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000818617263 1319571517 /nfs/dbraw/zinc/57/15/17/1319571517.db2.gz ODENHMIKWMGNLE-LLVKDONJSA-N 1 2 347.415 3.212 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCS(=O)(=O)Cc1ccccc1 ZINC000823616748 1320192689 /nfs/dbraw/zinc/19/26/89/1320192689.db2.gz BPLMUDXHTQZSHB-INIZCTEOSA-N 1 2 342.464 3.166 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCS(=O)(=O)Cc1ccccc1 ZINC000823616748 1320192691 /nfs/dbraw/zinc/19/26/91/1320192691.db2.gz BPLMUDXHTQZSHB-INIZCTEOSA-N 1 2 342.464 3.166 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc3cc(Cl)cnc3o2)n1 ZINC000824307442 1320246821 /nfs/dbraw/zinc/24/68/21/1320246821.db2.gz KEWHQQZSRVFQBW-UHFFFAOYSA-N 1 2 328.803 3.333 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc3cc(Cl)cnc3o2)n1 ZINC000824307442 1320246824 /nfs/dbraw/zinc/24/68/24/1320246824.db2.gz KEWHQQZSRVFQBW-UHFFFAOYSA-N 1 2 328.803 3.333 20 30 EGEDLO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000836605514 1320511324 /nfs/dbraw/zinc/51/13/24/1320511324.db2.gz VIMJUUZMFBPFQE-IBGZPJMESA-N 1 2 344.418 3.257 20 30 EGEDLO N#CCn1c(=O)c2ccccc2nc1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000836605514 1320511326 /nfs/dbraw/zinc/51/13/26/1320511326.db2.gz VIMJUUZMFBPFQE-IBGZPJMESA-N 1 2 344.418 3.257 20 30 EGEDLO N#C[C@@H]1CCCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000930556561 1328895909 /nfs/dbraw/zinc/89/59/09/1328895909.db2.gz XSXIXFGYCWYMKO-HNNXBMFYSA-N 1 2 347.422 3.369 20 30 EGEDLO N#CC1(CCOC(=O)c2ccc(N)c(-n3cc[nH+]c3)c2)CCCCC1 ZINC000840579654 1321110927 /nfs/dbraw/zinc/11/09/27/1321110927.db2.gz GHPQDGXLSNUKHH-UHFFFAOYSA-N 1 2 338.411 3.475 20 30 EGEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000846995895 1321832054 /nfs/dbraw/zinc/83/20/54/1321832054.db2.gz UYDLBKLLPBYBOF-HOTGVXAUSA-N 1 2 328.460 3.286 20 30 EGEDLO COc1cccc(O)c1/C=N\Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000920387683 1322171104 /nfs/dbraw/zinc/17/11/04/1322171104.db2.gz SKQJQOSWVBZKHP-NHDPSOOVSA-N 1 2 325.343 3.345 20 30 EGEDLO C=CC[N@H+](Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1)C(C)C ZINC000920412016 1322174539 /nfs/dbraw/zinc/17/45/39/1322174539.db2.gz RLBJKDNNIULRBC-UHFFFAOYSA-N 1 2 338.452 3.226 20 30 EGEDLO C=CC[N@@H+](Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1)C(C)C ZINC000920412016 1322174543 /nfs/dbraw/zinc/17/45/43/1322174543.db2.gz RLBJKDNNIULRBC-UHFFFAOYSA-N 1 2 338.452 3.226 20 30 EGEDLO Cc1cncc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)c1 ZINC001024377588 1323349370 /nfs/dbraw/zinc/34/93/70/1323349370.db2.gz YIXLJHWPOFZTDV-HXUWFJFHSA-N 1 2 348.450 3.046 20 30 EGEDLO Cc1cncc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)c1 ZINC001024377588 1323349374 /nfs/dbraw/zinc/34/93/74/1323349374.db2.gz YIXLJHWPOFZTDV-HXUWFJFHSA-N 1 2 348.450 3.046 20 30 EGEDLO Cc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)co1 ZINC001024402466 1323371332 /nfs/dbraw/zinc/37/13/32/1323371332.db2.gz RALJWGJOSZJCTP-IBGZPJMESA-N 1 2 337.423 3.244 20 30 EGEDLO Cc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)co1 ZINC001024402466 1323371335 /nfs/dbraw/zinc/37/13/35/1323371335.db2.gz RALJWGJOSZJCTP-IBGZPJMESA-N 1 2 337.423 3.244 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1nc(C(C)C)oc1C ZINC001024437057 1323398926 /nfs/dbraw/zinc/39/89/26/1323398926.db2.gz MHVIATOEICXAJA-CQSZACIVSA-N 1 2 339.867 3.443 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1nc(C(C)C)oc1C ZINC001024437057 1323398931 /nfs/dbraw/zinc/39/89/31/1323398931.db2.gz MHVIATOEICXAJA-CQSZACIVSA-N 1 2 339.867 3.443 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2c(o1)CCCC2 ZINC001024479097 1323430780 /nfs/dbraw/zinc/43/07/80/1323430780.db2.gz ZDSGOOCVAULIKF-HNNXBMFYSA-N 1 2 336.863 3.495 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc2c(o1)CCCC2 ZINC001024479097 1323430782 /nfs/dbraw/zinc/43/07/82/1323430782.db2.gz ZDSGOOCVAULIKF-HNNXBMFYSA-N 1 2 336.863 3.495 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C)c(OC)c1 ZINC001024541509 1323483984 /nfs/dbraw/zinc/48/39/84/1323483984.db2.gz MABDNEQDAFKOCG-INIZCTEOSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C)c(OC)c1 ZINC001024541509 1323483987 /nfs/dbraw/zinc/48/39/87/1323483987.db2.gz MABDNEQDAFKOCG-INIZCTEOSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccnc1C(F)F ZINC001024546584 1323488859 /nfs/dbraw/zinc/48/88/59/1323488859.db2.gz ZZIPQQLNRRJXOX-GFCCVEGCSA-N 1 2 343.805 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccnc1C(F)F ZINC001024546584 1323488861 /nfs/dbraw/zinc/48/88/61/1323488861.db2.gz ZZIPQQLNRRJXOX-GFCCVEGCSA-N 1 2 343.805 3.356 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001024597830 1323528265 /nfs/dbraw/zinc/52/82/65/1323528265.db2.gz YDGCKVRERZKINV-KBPBESRZSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001024597830 1323528272 /nfs/dbraw/zinc/52/82/72/1323528272.db2.gz YDGCKVRERZKINV-KBPBESRZSA-N 1 2 343.309 3.302 20 30 EGEDLO Cc1coc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccc(C#N)s2)c1 ZINC001024612117 1323538656 /nfs/dbraw/zinc/53/86/56/1323538656.db2.gz LCXUCUVVSMCJJW-CQSZACIVSA-N 1 2 343.452 3.306 20 30 EGEDLO Cc1coc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccc(C#N)s2)c1 ZINC001024612117 1323538658 /nfs/dbraw/zinc/53/86/58/1323538658.db2.gz LCXUCUVVSMCJJW-CQSZACIVSA-N 1 2 343.452 3.306 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001024683930 1323598064 /nfs/dbraw/zinc/59/80/64/1323598064.db2.gz QZXGJZFEZSFLPI-KBPBESRZSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001024683930 1323598070 /nfs/dbraw/zinc/59/80/70/1323598070.db2.gz QZXGJZFEZSFLPI-KBPBESRZSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Cl)cn1 ZINC001024767777 1323667361 /nfs/dbraw/zinc/66/73/61/1323667361.db2.gz ISNURFWPPFDQOK-CYBMUJFWSA-N 1 2 328.243 3.072 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Cl)cn1 ZINC001024767777 1323667358 /nfs/dbraw/zinc/66/73/58/1323667358.db2.gz ISNURFWPPFDQOK-CYBMUJFWSA-N 1 2 328.243 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)n(C(C)C)n1 ZINC001024828589 1323732518 /nfs/dbraw/zinc/73/25/18/1323732518.db2.gz JATUZHLLHZCTHG-OAHLLOKOSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)n(C(C)C)n1 ZINC001024828589 1323732519 /nfs/dbraw/zinc/73/25/19/1323732519.db2.gz JATUZHLLHZCTHG-OAHLLOKOSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2n(c1)CCCC2 ZINC001024837490 1323738026 /nfs/dbraw/zinc/73/80/26/1323738026.db2.gz VNGLEYGMEKQSGX-QGZVFWFLSA-N 1 2 335.879 3.161 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc2n(c1)CCCC2 ZINC001024837490 1323738030 /nfs/dbraw/zinc/73/80/30/1323738030.db2.gz VNGLEYGMEKQSGX-QGZVFWFLSA-N 1 2 335.879 3.161 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nc(CCCC)no1 ZINC001025041058 1323843014 /nfs/dbraw/zinc/84/30/14/1323843014.db2.gz SAODJBCTBRIQGL-OAHLLOKOSA-N 1 2 348.491 3.095 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCCC[C@H]1C[NH2+]Cc1nnc(C2CC2)o1 ZINC001025069827 1323870108 /nfs/dbraw/zinc/87/01/08/1323870108.db2.gz PZHDDGOYVIKCSK-KXBFYZLASA-N 1 2 346.475 3.020 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CCN(c2ncccc2F)C1 ZINC000853439264 1325092323 /nfs/dbraw/zinc/09/23/23/1325092323.db2.gz CBPUYGZEGXLDGA-HNNXBMFYSA-N 1 2 340.402 3.099 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ncsc1C(C)C ZINC001028256543 1340515815 /nfs/dbraw/zinc/51/58/15/1340515815.db2.gz JUUFVWGCMWAHPD-GFCCVEGCSA-N 1 2 327.881 3.213 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ncsc1C(C)C ZINC001028256543 1340515816 /nfs/dbraw/zinc/51/58/16/1340515816.db2.gz JUUFVWGCMWAHPD-GFCCVEGCSA-N 1 2 327.881 3.213 20 30 EGEDLO C[N@H+](Cc1c(F)cccc1Cl)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027405582 1327632199 /nfs/dbraw/zinc/63/21/99/1327632199.db2.gz ISLITJPRGPVJQS-OAHLLOKOSA-N 1 2 348.849 3.315 20 30 EGEDLO C[N@@H+](Cc1c(F)cccc1Cl)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027405582 1327632209 /nfs/dbraw/zinc/63/22/09/1327632209.db2.gz ISLITJPRGPVJQS-OAHLLOKOSA-N 1 2 348.849 3.315 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)CC2(C)CC2)C1 ZINC001027496195 1327758945 /nfs/dbraw/zinc/75/89/45/1327758945.db2.gz MATHVSMLFYTPTO-CYBMUJFWSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)CC2(C)CC2)C1 ZINC001027496195 1327758953 /nfs/dbraw/zinc/75/89/53/1327758953.db2.gz MATHVSMLFYTPTO-CYBMUJFWSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)[C@H](C)c2nnc(CC)o2)C1 ZINC001027519425 1327790386 /nfs/dbraw/zinc/79/03/86/1327790386.db2.gz NANSPVPXORRONC-CABCVRRESA-N 1 2 348.491 3.218 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([N@H+](C)[C@H](C)c2nnc(CC)o2)C1 ZINC001027519425 1327790405 /nfs/dbraw/zinc/79/04/05/1327790405.db2.gz NANSPVPXORRONC-CABCVRRESA-N 1 2 348.491 3.218 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)[C@@H](C)c2ncccn2)C1 ZINC001027519695 1327791914 /nfs/dbraw/zinc/79/19/14/1327791914.db2.gz SNODGOBYLGGKDN-JKSUJKDBSA-N 1 2 330.476 3.063 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)[C@@H](C)c2ncccn2)C1 ZINC001027519695 1327791920 /nfs/dbraw/zinc/79/19/20/1327791920.db2.gz SNODGOBYLGGKDN-JKSUJKDBSA-N 1 2 330.476 3.063 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)c2cocc2C)C1 ZINC001027528678 1327809721 /nfs/dbraw/zinc/80/97/21/1327809721.db2.gz AASXWQFCJWDYAS-ZDUSSCGKSA-N 1 2 341.249 3.033 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)c2cocc2C)C1 ZINC001027528678 1327809723 /nfs/dbraw/zinc/80/97/23/1327809723.db2.gz AASXWQFCJWDYAS-ZDUSSCGKSA-N 1 2 341.249 3.033 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@H+](C)Cc3nocc3C)C2)CC1 ZINC001027559405 1327871596 /nfs/dbraw/zinc/87/15/96/1327871596.db2.gz XHICGEQSORZULQ-QGZVFWFLSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3nocc3C)C2)CC1 ZINC001027559405 1327871607 /nfs/dbraw/zinc/87/16/07/1327871607.db2.gz XHICGEQSORZULQ-QGZVFWFLSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@H+](C)Cc3nc(C)c(C)o3)C2)C1 ZINC001027566128 1327892699 /nfs/dbraw/zinc/89/26/99/1327892699.db2.gz GLQXMGGOPVIPBT-MRXNPFEDSA-N 1 2 331.460 3.071 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3nc(C)c(C)o3)C2)C1 ZINC001027566128 1327892703 /nfs/dbraw/zinc/89/27/03/1327892703.db2.gz GLQXMGGOPVIPBT-MRXNPFEDSA-N 1 2 331.460 3.071 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]([N@@H+](C)Cc3csc(CC)n3)C2)C1 ZINC001027566453 1327893196 /nfs/dbraw/zinc/89/31/96/1327893196.db2.gz JFZTYZYZCHUULC-INIZCTEOSA-N 1 2 347.528 3.485 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]([N@H+](C)Cc3csc(CC)n3)C2)C1 ZINC001027566453 1327893201 /nfs/dbraw/zinc/89/32/01/1327893201.db2.gz JFZTYZYZCHUULC-INIZCTEOSA-N 1 2 347.528 3.485 20 30 EGEDLO CC[C@@H]([NH2+]CCNc1ccc(C#N)cn1)c1cccc(Cl)c1O ZINC000927167301 1327904707 /nfs/dbraw/zinc/90/47/07/1327904707.db2.gz IOFBWVJMGMRNKP-OAHLLOKOSA-N 1 2 330.819 3.465 20 30 EGEDLO CC(C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)CC[C@H]1C ZINC000965248109 1327953507 /nfs/dbraw/zinc/95/35/07/1327953507.db2.gz RFITXQVBSHWYKK-CRAIPNDOSA-N 1 2 332.875 3.174 20 30 EGEDLO CC(C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)CC[C@H]1C ZINC000965248109 1327953510 /nfs/dbraw/zinc/95/35/10/1327953510.db2.gz RFITXQVBSHWYKK-CRAIPNDOSA-N 1 2 332.875 3.174 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]1CNC(=O)C1CCCCC1 ZINC001027728989 1328152733 /nfs/dbraw/zinc/15/27/33/1328152733.db2.gz MOPLSUUTZVVBLI-IBGZPJMESA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1CNC(=O)C1CCCCC1 ZINC001027728989 1328152740 /nfs/dbraw/zinc/15/27/40/1328152740.db2.gz MOPLSUUTZVVBLI-IBGZPJMESA-N 1 2 343.446 3.358 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc(C)c1 ZINC001027735446 1328162553 /nfs/dbraw/zinc/16/25/53/1328162553.db2.gz RWCDDLSFCMURRL-HNNXBMFYSA-N 1 2 337.261 3.098 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(C)c1 ZINC001027735446 1328162557 /nfs/dbraw/zinc/16/25/57/1328162557.db2.gz RWCDDLSFCMURRL-HNNXBMFYSA-N 1 2 337.261 3.098 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1nc(C(C)C)oc1C ZINC001027882390 1328349244 /nfs/dbraw/zinc/34/92/44/1328349244.db2.gz NLKGNCXDRNAQOH-CYBMUJFWSA-N 1 2 325.840 3.053 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1nc(C(C)C)oc1C ZINC001027882390 1328349252 /nfs/dbraw/zinc/34/92/52/1328349252.db2.gz NLKGNCXDRNAQOH-CYBMUJFWSA-N 1 2 325.840 3.053 20 30 EGEDLO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1n[nH]c2ccc(C)cc21 ZINC001027995306 1328462112 /nfs/dbraw/zinc/46/21/12/1328462112.db2.gz KUGDEZMMCQXITJ-OAHLLOKOSA-N 1 2 326.444 3.032 20 30 EGEDLO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1n[nH]c2ccc(C)cc21 ZINC001027995306 1328462115 /nfs/dbraw/zinc/46/21/15/1328462115.db2.gz KUGDEZMMCQXITJ-OAHLLOKOSA-N 1 2 326.444 3.032 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@@H]2CCN(c3nc(C)[nH+]c(C)c3C)C2)CC1 ZINC001063021089 1351702351 /nfs/dbraw/zinc/70/23/51/1351702351.db2.gz OXQUGMYKEGLMRE-GOSISDBHSA-N 1 2 342.487 3.185 20 30 EGEDLO C=CCOCSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000865341351 1329687622 /nfs/dbraw/zinc/68/76/22/1329687622.db2.gz GBHPZTLKOYGZGK-LBPRGKRZSA-N 1 2 336.436 3.281 20 30 EGEDLO C#CC[N@H+](CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)C(C)C ZINC000932396916 1329811248 /nfs/dbraw/zinc/81/12/48/1329811248.db2.gz XCYYYPVGQSSJRR-UHFFFAOYSA-N 1 2 338.455 3.080 20 30 EGEDLO C#CC[N@@H+](CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)C(C)C ZINC000932396916 1329811249 /nfs/dbraw/zinc/81/12/49/1329811249.db2.gz XCYYYPVGQSSJRR-UHFFFAOYSA-N 1 2 338.455 3.080 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3coc(C)n3)[C@@H](C)C2)CC1 ZINC000947690267 1333224825 /nfs/dbraw/zinc/22/48/25/1333224825.db2.gz SVWOXQVWCCWBEA-YOEHRIQHSA-N 1 2 331.460 3.199 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3coc(C)n3)[C@@H](C)C2)CC1 ZINC000947690267 1333224826 /nfs/dbraw/zinc/22/48/26/1333224826.db2.gz SVWOXQVWCCWBEA-YOEHRIQHSA-N 1 2 331.460 3.199 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CCC[N@@H+]([C@H](C)c3noc(C)n3)CC2)C1 ZINC000948754090 1333662977 /nfs/dbraw/zinc/66/29/77/1333662977.db2.gz SUYAYPBGNIRRQG-GDBMZVCRSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CCC[N@H+]([C@H](C)c3noc(C)n3)CC2)C1 ZINC000948754090 1333662978 /nfs/dbraw/zinc/66/29/78/1333662978.db2.gz SUYAYPBGNIRRQG-GDBMZVCRSA-N 1 2 346.475 3.108 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(Cl)cc1 ZINC000948983089 1333758873 /nfs/dbraw/zinc/75/88/73/1333758873.db2.gz WEZMASMRVRUCCK-LJQANCHMSA-N 1 2 338.838 3.302 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(Cl)cc1 ZINC000948983089 1333758874 /nfs/dbraw/zinc/75/88/74/1333758874.db2.gz WEZMASMRVRUCCK-LJQANCHMSA-N 1 2 338.838 3.302 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cccc2c1CCC2 ZINC000948987251 1333761018 /nfs/dbraw/zinc/76/10/18/1333761018.db2.gz VPPKEYPSEBHNNQ-JOCHJYFZSA-N 1 2 344.458 3.138 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cccc2c1CCC2 ZINC000948987251 1333761020 /nfs/dbraw/zinc/76/10/20/1333761020.db2.gz VPPKEYPSEBHNNQ-JOCHJYFZSA-N 1 2 344.458 3.138 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2COC)C1 ZINC000967209007 1335676523 /nfs/dbraw/zinc/67/65/23/1335676523.db2.gz SNTFZXHRCJQUFV-CXAGYDPISA-N 1 2 336.863 3.026 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2COC)C1 ZINC000967209007 1335676526 /nfs/dbraw/zinc/67/65/26/1335676526.db2.gz SNTFZXHRCJQUFV-CXAGYDPISA-N 1 2 336.863 3.026 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2COC)C1 ZINC000967209010 1335676679 /nfs/dbraw/zinc/67/66/79/1335676679.db2.gz SNTFZXHRCJQUFV-DYVFJYSZSA-N 1 2 336.863 3.026 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2COC)C1 ZINC000967209010 1335676680 /nfs/dbraw/zinc/67/66/80/1335676680.db2.gz SNTFZXHRCJQUFV-DYVFJYSZSA-N 1 2 336.863 3.026 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnc3ccsc3c2)C1 ZINC000967777454 1335814819 /nfs/dbraw/zinc/81/48/19/1335814819.db2.gz ISGRQLMHXOMLTK-IAQYHMDHSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnc3ccsc3c2)C1 ZINC000967777454 1335814821 /nfs/dbraw/zinc/81/48/21/1335814821.db2.gz ISGRQLMHXOMLTK-IAQYHMDHSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2nccc3ccccc32)C1 ZINC000968076647 1335853783 /nfs/dbraw/zinc/85/37/83/1335853783.db2.gz DOJKQJRETYPZRI-GUYCJALGSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2nccc3ccccc32)C1 ZINC000968076647 1335853787 /nfs/dbraw/zinc/85/37/87/1335853787.db2.gz DOJKQJRETYPZRI-GUYCJALGSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC000968346187 1335896117 /nfs/dbraw/zinc/89/61/17/1335896117.db2.gz SLMZZDNFWBKHCO-PXAZEXFGSA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC000968346187 1335896119 /nfs/dbraw/zinc/89/61/19/1335896119.db2.gz SLMZZDNFWBKHCO-PXAZEXFGSA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC000968598885 1335978738 /nfs/dbraw/zinc/97/87/38/1335978738.db2.gz NFUCBILKWJCCGJ-PXAZEXFGSA-N 1 2 333.863 3.152 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC000968598885 1335978741 /nfs/dbraw/zinc/97/87/41/1335978741.db2.gz NFUCBILKWJCCGJ-PXAZEXFGSA-N 1 2 333.863 3.152 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC000968635642 1335991314 /nfs/dbraw/zinc/99/13/14/1335991314.db2.gz NUOPIPYTRZYZQI-SCLBCKFNSA-N 1 2 332.875 3.368 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC000968635642 1335991317 /nfs/dbraw/zinc/99/13/17/1335991317.db2.gz NUOPIPYTRZYZQI-SCLBCKFNSA-N 1 2 332.875 3.368 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([NH2+][C@@H](C)c3nc(CCCC)no3)C2)C1 ZINC000969882859 1336256845 /nfs/dbraw/zinc/25/68/45/1336256845.db2.gz GJXLRUCSTLIQOC-LSDHHAIUSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2nc(C(C)(C)C)cs2)C1 ZINC000969890544 1336257656 /nfs/dbraw/zinc/25/76/56/1336257656.db2.gz IWGUSSNPCBIBBP-LLVKDONJSA-N 1 2 341.908 3.243 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(F)c(C)cc2F)C1 ZINC000969895487 1336257860 /nfs/dbraw/zinc/25/78/60/1336257860.db2.gz AIVSQHOGBMPOBE-LLVKDONJSA-N 1 2 328.790 3.076 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(-c3ccccc3)no2)C1 ZINC000970041199 1336273157 /nfs/dbraw/zinc/27/31/57/1336273157.db2.gz KCZZSORXBZNJSH-ZDUSSCGKSA-N 1 2 345.830 3.144 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cncc3sccc32)C1 ZINC000970326471 1336294671 /nfs/dbraw/zinc/29/46/71/1336294671.db2.gz SQONIDZMDLDXPU-LLVKDONJSA-N 1 2 335.860 3.099 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(F)cc3cccnc32)C1 ZINC000970522729 1336316362 /nfs/dbraw/zinc/31/63/62/1336316362.db2.gz DNDIARRRMGJRHW-LBPRGKRZSA-N 1 2 347.821 3.177 20 30 EGEDLO C=C1CCC(C(=O)N(C)C2CC[NH+](Cc3cscn3)CC2)CC1 ZINC001005936208 1336425805 /nfs/dbraw/zinc/42/58/05/1336425805.db2.gz JFQWLCWPAKMJKI-UHFFFAOYSA-N 1 2 333.501 3.312 20 30 EGEDLO CN(C(=O)C(C)(C)C)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001006325916 1336489062 /nfs/dbraw/zinc/48/90/62/1336489062.db2.gz JVZSJTJOCCDBGU-UHFFFAOYSA-N 1 2 331.435 3.166 20 30 EGEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)C1CCCC1 ZINC001006550809 1336523432 /nfs/dbraw/zinc/52/34/32/1336523432.db2.gz BLVPJILXRBDBKR-IBGZPJMESA-N 1 2 344.886 3.462 20 30 EGEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)C1CCCC1 ZINC001006550809 1336523435 /nfs/dbraw/zinc/52/34/35/1336523435.db2.gz BLVPJILXRBDBKR-IBGZPJMESA-N 1 2 344.886 3.462 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3ccsc3)C2)s1 ZINC001006674811 1336553917 /nfs/dbraw/zinc/55/39/17/1336553917.db2.gz BXTVYBWQFNTPRG-ZDUSSCGKSA-N 1 2 331.466 3.076 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccsc3)C2)s1 ZINC001006674811 1336553920 /nfs/dbraw/zinc/55/39/20/1336553920.db2.gz BXTVYBWQFNTPRG-ZDUSSCGKSA-N 1 2 331.466 3.076 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)c(C)o1 ZINC001006704987 1336559843 /nfs/dbraw/zinc/55/98/43/1336559843.db2.gz SGICELJGCCXPTC-CQSZACIVSA-N 1 2 343.452 3.224 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)c(C)o1 ZINC001006704987 1336559844 /nfs/dbraw/zinc/55/98/44/1336559844.db2.gz SGICELJGCCXPTC-CQSZACIVSA-N 1 2 343.452 3.224 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]([C@H](C)Nc3cc[nH+]c(C)n3)C2)C1 ZINC001063905917 1352079472 /nfs/dbraw/zinc/07/94/72/1352079472.db2.gz ITDNKVIVALMXFO-HOCLYGCPSA-N 1 2 328.460 3.180 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cccc3ccc(C)nc32)C1 ZINC001007578980 1336671606 /nfs/dbraw/zinc/67/16/06/1336671606.db2.gz NCXICVAWSFNZFD-INIZCTEOSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cccc3ccc(C)nc32)C1 ZINC001007578980 1336671608 /nfs/dbraw/zinc/67/16/08/1336671608.db2.gz NCXICVAWSFNZFD-INIZCTEOSA-N 1 2 343.858 3.490 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1)C1CCC1 ZINC001007594008 1336672934 /nfs/dbraw/zinc/67/29/34/1336672934.db2.gz GPVHJUTVKYGVGK-KBXCAEBGSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1)C1CCC1 ZINC001007594008 1336672938 /nfs/dbraw/zinc/67/29/38/1336672938.db2.gz GPVHJUTVKYGVGK-KBXCAEBGSA-N 1 2 343.446 3.214 20 30 EGEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3ccc(F)cc3s2)C1 ZINC001007823414 1336708476 /nfs/dbraw/zinc/70/84/76/1336708476.db2.gz LTIUTTLBLYGDLZ-HNNXBMFYSA-N 1 2 330.428 3.258 20 30 EGEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cc3ccc(F)cc3s2)C1 ZINC001007823414 1336708480 /nfs/dbraw/zinc/70/84/80/1336708480.db2.gz LTIUTTLBLYGDLZ-HNNXBMFYSA-N 1 2 330.428 3.258 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2cc(F)c(C)cc2F)C1 ZINC001008037473 1336755246 /nfs/dbraw/zinc/75/52/46/1336755246.db2.gz VQSUTWANDPSHAU-AWEZNQCLSA-N 1 2 342.817 3.149 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2cc(F)c(C)cc2F)C1 ZINC001008037473 1336755247 /nfs/dbraw/zinc/75/52/47/1336755247.db2.gz VQSUTWANDPSHAU-AWEZNQCLSA-N 1 2 342.817 3.149 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2COc3cc(C)c(C)cc32)C1 ZINC001008057150 1336760348 /nfs/dbraw/zinc/76/03/48/1336760348.db2.gz LCROCEDUGKAISP-WBVHZDCISA-N 1 2 348.874 3.113 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2COc3cc(C)c(C)cc32)C1 ZINC001008057150 1336760350 /nfs/dbraw/zinc/76/03/50/1336760350.db2.gz LCROCEDUGKAISP-WBVHZDCISA-N 1 2 348.874 3.113 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001008207519 1336793440 /nfs/dbraw/zinc/79/34/40/1336793440.db2.gz IBIJYDTXYPOMKX-IAGOWNOFSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001008207519 1336793444 /nfs/dbraw/zinc/79/34/44/1336793444.db2.gz IBIJYDTXYPOMKX-IAGOWNOFSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(F)c3ccncc23)C1 ZINC001008266253 1336810029 /nfs/dbraw/zinc/81/00/29/1336810029.db2.gz AUSXVNSQDQIKRC-CYBMUJFWSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(F)c3ccncc23)C1 ZINC001008266253 1336810030 /nfs/dbraw/zinc/81/00/30/1336810030.db2.gz AUSXVNSQDQIKRC-CYBMUJFWSA-N 1 2 347.821 3.321 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3occc3Cl)C2)s1 ZINC001008427011 1336850003 /nfs/dbraw/zinc/85/00/03/1336850003.db2.gz GISSGRBHTBOZSY-LLVKDONJSA-N 1 2 349.843 3.261 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3occc3Cl)C2)s1 ZINC001008427011 1336850007 /nfs/dbraw/zinc/85/00/07/1336850007.db2.gz GISSGRBHTBOZSY-LLVKDONJSA-N 1 2 349.843 3.261 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001008589619 1336889779 /nfs/dbraw/zinc/88/97/79/1336889779.db2.gz UYUXKHVKMDHCLR-VAMGGRTRSA-N 1 2 339.483 3.321 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001008589619 1336889783 /nfs/dbraw/zinc/88/97/83/1336889783.db2.gz UYUXKHVKMDHCLR-VAMGGRTRSA-N 1 2 339.483 3.321 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2cc(C)c3ccccc32)C1 ZINC001008834768 1336932431 /nfs/dbraw/zinc/93/24/31/1336932431.db2.gz NAIOQRPNLYGUNY-MRXNPFEDSA-N 1 2 345.874 3.283 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc(C)c3ccccc32)C1 ZINC001008834768 1336932433 /nfs/dbraw/zinc/93/24/33/1336932433.db2.gz NAIOQRPNLYGUNY-MRXNPFEDSA-N 1 2 345.874 3.283 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(-c3cn[nH]c3)cc2)C1 ZINC001008849556 1336933454 /nfs/dbraw/zinc/93/34/54/1336933454.db2.gz PXRLSLVFCUGHFW-KRWDZBQOSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc(-c3cn[nH]c3)cc2)C1 ZINC001008849556 1336933455 /nfs/dbraw/zinc/93/34/55/1336933455.db2.gz PXRLSLVFCUGHFW-KRWDZBQOSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2coc3ccccc23)C1 ZINC001008989560 1336953794 /nfs/dbraw/zinc/95/37/94/1336953794.db2.gz SZUDDBNDOXOLGQ-OAHLLOKOSA-N 1 2 332.831 3.308 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2coc3ccccc23)C1 ZINC001008989560 1336953796 /nfs/dbraw/zinc/95/37/96/1336953796.db2.gz SZUDDBNDOXOLGQ-OAHLLOKOSA-N 1 2 332.831 3.308 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1)c1ccccc1 ZINC001009262373 1336992828 /nfs/dbraw/zinc/99/28/28/1336992828.db2.gz FVWVLWNWSLXUHY-DYESRHJHSA-N 1 2 347.462 3.443 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1)c1ccccc1 ZINC001009262373 1336992834 /nfs/dbraw/zinc/99/28/34/1336992834.db2.gz FVWVLWNWSLXUHY-DYESRHJHSA-N 1 2 347.462 3.443 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001009692839 1337060789 /nfs/dbraw/zinc/06/07/89/1337060789.db2.gz SXVXLRDPSREEJX-APWZRJJASA-N 1 2 332.875 3.224 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001009692839 1337060791 /nfs/dbraw/zinc/06/07/91/1337060791.db2.gz SXVXLRDPSREEJX-APWZRJJASA-N 1 2 332.875 3.224 20 30 EGEDLO Cc1sccc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001014364792 1337753848 /nfs/dbraw/zinc/75/38/48/1337753848.db2.gz UUMJYGGWLNIOEH-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1sccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001014364792 1337753853 /nfs/dbraw/zinc/75/38/53/1337753853.db2.gz UUMJYGGWLNIOEH-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1csc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)c1 ZINC001014373525 1337756557 /nfs/dbraw/zinc/75/65/57/1337756557.db2.gz CSUQPFNLMDVYDK-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1csc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)c1 ZINC001014373525 1337756560 /nfs/dbraw/zinc/75/65/60/1337756560.db2.gz CSUQPFNLMDVYDK-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1csc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)c1 ZINC001014379462 1337759796 /nfs/dbraw/zinc/75/97/96/1337759796.db2.gz XOKFXOWOVJMFEZ-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1csc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)c1 ZINC001014379462 1337759801 /nfs/dbraw/zinc/75/98/01/1337759801.db2.gz XOKFXOWOVJMFEZ-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO C[C@@]1(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)CC=CCC1 ZINC001014551268 1337821142 /nfs/dbraw/zinc/82/11/42/1337821142.db2.gz QJMRRIGKWMJCNG-YLJYHZDGSA-N 1 2 341.430 3.134 20 30 EGEDLO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)CC=CCC1 ZINC001014551268 1337821148 /nfs/dbraw/zinc/82/11/48/1337821148.db2.gz QJMRRIGKWMJCNG-YLJYHZDGSA-N 1 2 341.430 3.134 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)s1 ZINC001014591773 1337840096 /nfs/dbraw/zinc/84/00/96/1337840096.db2.gz WMHHXVPPBGUVML-CYBMUJFWSA-N 1 2 345.493 3.302 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)s1 ZINC001014591773 1337840100 /nfs/dbraw/zinc/84/01/00/1337840100.db2.gz WMHHXVPPBGUVML-CYBMUJFWSA-N 1 2 345.493 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C3CC3)[nH]c2C2CC2)C1 ZINC001014938176 1337958904 /nfs/dbraw/zinc/95/89/04/1337958904.db2.gz KUKWENHPIUGBHY-CQSZACIVSA-N 1 2 333.863 3.326 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(C3CC3)[nH]c2C2CC2)C1 ZINC001014938176 1337958906 /nfs/dbraw/zinc/95/89/06/1337958906.db2.gz KUKWENHPIUGBHY-CQSZACIVSA-N 1 2 333.863 3.326 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3cc(Cl)ccc3OC)C2)C1 ZINC001015671886 1338249572 /nfs/dbraw/zinc/24/95/72/1338249572.db2.gz GYZUIBWBZHFGRU-INIZCTEOSA-N 1 2 348.874 3.395 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3cc(Cl)ccc3OC)C2)C1 ZINC001015671886 1338249575 /nfs/dbraw/zinc/24/95/75/1338249575.db2.gz GYZUIBWBZHFGRU-INIZCTEOSA-N 1 2 348.874 3.395 20 30 EGEDLO C=Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)cc1 ZINC001015739705 1338281443 /nfs/dbraw/zinc/28/14/43/1338281443.db2.gz GOKUJAFRBAPABY-LJQANCHMSA-N 1 2 349.409 3.345 20 30 EGEDLO C=Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)cc1 ZINC001015739705 1338281445 /nfs/dbraw/zinc/28/14/45/1338281445.db2.gz GOKUJAFRBAPABY-LJQANCHMSA-N 1 2 349.409 3.345 20 30 EGEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)C1(F)CCCCC1 ZINC001015941822 1338367627 /nfs/dbraw/zinc/36/76/27/1338367627.db2.gz AWKVBEGEYQXGCY-SFHVURJKSA-N 1 2 346.421 3.040 20 30 EGEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)C1(F)CCCCC1 ZINC001015941822 1338367628 /nfs/dbraw/zinc/36/76/28/1338367628.db2.gz AWKVBEGEYQXGCY-SFHVURJKSA-N 1 2 346.421 3.040 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)c2ccc(Cl)s2)C1 ZINC001015963796 1338380548 /nfs/dbraw/zinc/38/05/48/1338380548.db2.gz RJSYPYCELPGRAG-GHMZBOCLSA-N 1 2 333.284 3.448 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)c2ccc(Cl)s2)C1 ZINC001015963796 1338380550 /nfs/dbraw/zinc/38/05/50/1338380550.db2.gz RJSYPYCELPGRAG-GHMZBOCLSA-N 1 2 333.284 3.448 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)cc1 ZINC001016075993 1338447285 /nfs/dbraw/zinc/44/72/85/1338447285.db2.gz CFXXUATYDKJSSG-GOSISDBHSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)cc1 ZINC001016075993 1338447288 /nfs/dbraw/zinc/44/72/88/1338447288.db2.gz CFXXUATYDKJSSG-GOSISDBHSA-N 1 2 337.398 3.010 20 30 EGEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cc2ccccc2o1 ZINC001016178335 1338493399 /nfs/dbraw/zinc/49/33/99/1338493399.db2.gz MLFHORMTYNOVRI-IBGZPJMESA-N 1 2 344.414 3.289 20 30 EGEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cc2ccccc2o1 ZINC001016178335 1338493403 /nfs/dbraw/zinc/49/34/03/1338493403.db2.gz MLFHORMTYNOVRI-IBGZPJMESA-N 1 2 344.414 3.289 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001016347009 1338560601 /nfs/dbraw/zinc/56/06/01/1338560601.db2.gz ZPMJWAOCIZCFQO-YEYPGUGLSA-N 1 2 337.467 3.075 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001016347009 1338560606 /nfs/dbraw/zinc/56/06/06/1338560606.db2.gz ZPMJWAOCIZCFQO-YEYPGUGLSA-N 1 2 337.467 3.075 20 30 EGEDLO Cc1cccc(F)c1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001016407988 1338591857 /nfs/dbraw/zinc/59/18/57/1338591857.db2.gz GZSSRMGPVNOOOR-ZDUSSCGKSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1cccc(F)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001016407988 1338591862 /nfs/dbraw/zinc/59/18/62/1338591862.db2.gz GZSSRMGPVNOOOR-ZDUSSCGKSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1cccc(F)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001016408589 1338592579 /nfs/dbraw/zinc/59/25/79/1338592579.db2.gz LXBZPLGMODMRPS-KRWDZBQOSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cccc(F)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001016408589 1338592582 /nfs/dbraw/zinc/59/25/82/1338592582.db2.gz LXBZPLGMODMRPS-KRWDZBQOSA-N 1 2 337.398 3.010 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC001017661174 1339386071 /nfs/dbraw/zinc/38/60/71/1339386071.db2.gz SEZLKFLBSPQNTO-CALCHBBNSA-N 1 2 337.467 3.082 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC001017661174 1339386073 /nfs/dbraw/zinc/38/60/73/1339386073.db2.gz SEZLKFLBSPQNTO-CALCHBBNSA-N 1 2 337.467 3.082 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(c2ccccc2)CC1(C)C ZINC001018091685 1339500383 /nfs/dbraw/zinc/50/03/83/1339500383.db2.gz OMPIMAJOHGGLQG-XQBPLPMBSA-N 1 2 336.479 3.053 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(c2ccccc2)CC1(C)C ZINC001018091685 1339500386 /nfs/dbraw/zinc/50/03/86/1339500386.db2.gz OMPIMAJOHGGLQG-XQBPLPMBSA-N 1 2 336.479 3.053 20 30 EGEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sc(CCC)nc1C ZINC001018266876 1339555297 /nfs/dbraw/zinc/55/52/97/1339555297.db2.gz SPFOGYXMXDSDQP-GASCZTMLSA-N 1 2 333.501 3.269 20 30 EGEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sc(CCC)nc1C ZINC001018266876 1339555298 /nfs/dbraw/zinc/55/52/98/1339555298.db2.gz SPFOGYXMXDSDQP-GASCZTMLSA-N 1 2 333.501 3.269 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC(c2ccc(F)cc2)C1 ZINC001018342658 1339585217 /nfs/dbraw/zinc/58/52/17/1339585217.db2.gz PITIQKLYQGIMJD-HCABLIJQSA-N 1 2 340.442 3.018 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC(c2ccc(F)cc2)C1 ZINC001018342658 1339585220 /nfs/dbraw/zinc/58/52/20/1339585220.db2.gz PITIQKLYQGIMJD-HCABLIJQSA-N 1 2 340.442 3.018 20 30 EGEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cscc1C(F)(F)F ZINC001018345875 1339586602 /nfs/dbraw/zinc/58/66/02/1339586602.db2.gz AYXGPBCVTKPKKC-PHIMTYICSA-N 1 2 330.375 3.242 20 30 EGEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cscc1C(F)(F)F ZINC001018345875 1339586605 /nfs/dbraw/zinc/58/66/05/1339586605.db2.gz AYXGPBCVTKPKKC-PHIMTYICSA-N 1 2 330.375 3.242 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CCC(F)CC1 ZINC001028118416 1340439221 /nfs/dbraw/zinc/43/92/21/1340439221.db2.gz ZSMIAESRDBBWKH-JXQTWKCFSA-N 1 2 347.272 3.004 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ncc(CC)o2)CC1 ZINC001028114434 1340436287 /nfs/dbraw/zinc/43/62/87/1340436287.db2.gz HEILRPONMIVYCD-INIZCTEOSA-N 1 2 331.460 3.064 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ncc(CC)o2)CC1 ZINC001028114434 1340436290 /nfs/dbraw/zinc/43/62/90/1340436290.db2.gz HEILRPONMIVYCD-INIZCTEOSA-N 1 2 331.460 3.064 20 30 EGEDLO CCc1ccoc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC001028117546 1340438453 /nfs/dbraw/zinc/43/84/53/1340438453.db2.gz QKZAYRFWNYNANI-GOSISDBHSA-N 1 2 337.423 3.108 20 30 EGEDLO CCc1ccoc1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC001028117546 1340438455 /nfs/dbraw/zinc/43/84/55/1340438455.db2.gz QKZAYRFWNYNANI-GOSISDBHSA-N 1 2 337.423 3.108 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)C1CCC(F)CC1 ZINC001028118416 1340439219 /nfs/dbraw/zinc/43/92/19/1340439219.db2.gz ZSMIAESRDBBWKH-JXQTWKCFSA-N 1 2 347.272 3.004 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001028196398 1340479419 /nfs/dbraw/zinc/47/94/19/1340479419.db2.gz KABJNPVXMSAESQ-FGTMMUONSA-N 1 2 332.875 3.432 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001028196398 1340479421 /nfs/dbraw/zinc/47/94/21/1340479421.db2.gz KABJNPVXMSAESQ-FGTMMUONSA-N 1 2 332.875 3.432 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C/C(Cl)=C\Cl)C2)cc1 ZINC001028730433 1340779096 /nfs/dbraw/zinc/77/90/96/1340779096.db2.gz IRJRLICSNTXFAI-BRYYZUPOSA-N 1 2 337.250 3.039 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C/C(Cl)=C\Cl)C2)cc1 ZINC001028730433 1340779098 /nfs/dbraw/zinc/77/90/98/1340779098.db2.gz IRJRLICSNTXFAI-BRYYZUPOSA-N 1 2 337.250 3.039 20 30 EGEDLO CC(C)=CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029195966 1340952651 /nfs/dbraw/zinc/95/26/51/1340952651.db2.gz KNPGHHLWMZPEPU-KDURUIRLSA-N 1 2 342.870 3.333 20 30 EGEDLO CC(C)=CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029195966 1340952652 /nfs/dbraw/zinc/95/26/52/1340952652.db2.gz KNPGHHLWMZPEPU-KDURUIRLSA-N 1 2 342.870 3.333 20 30 EGEDLO C[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001029199324 1340953292 /nfs/dbraw/zinc/95/32/92/1340953292.db2.gz IFXCPGXFXXGQRZ-DQEVTTJGSA-N 1 2 342.870 3.023 20 30 EGEDLO C[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001029199324 1340953293 /nfs/dbraw/zinc/95/32/93/1340953293.db2.gz IFXCPGXFXXGQRZ-DQEVTTJGSA-N 1 2 342.870 3.023 20 30 EGEDLO CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1F ZINC001029213714 1340956110 /nfs/dbraw/zinc/95/61/10/1340956110.db2.gz OLFPXRLZJGLSQB-CALCHBBNSA-N 1 2 343.446 3.309 20 30 EGEDLO CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1F ZINC001029213714 1340956111 /nfs/dbraw/zinc/95/61/11/1340956111.db2.gz OLFPXRLZJGLSQB-CALCHBBNSA-N 1 2 343.446 3.309 20 30 EGEDLO C=CC[N@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)c2cnc(C)[nH]2)C1 ZINC001029917809 1341118213 /nfs/dbraw/zinc/11/82/13/1341118213.db2.gz QANMWNZNWNOUQC-GOSISDBHSA-N 1 2 338.455 3.011 20 30 EGEDLO C=CC[N@@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)c2cnc(C)[nH]2)C1 ZINC001029917809 1341118214 /nfs/dbraw/zinc/11/82/14/1341118214.db2.gz QANMWNZNWNOUQC-GOSISDBHSA-N 1 2 338.455 3.011 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc3c([nH]2)c(F)ccc3C)C1 ZINC001031798320 1341403215 /nfs/dbraw/zinc/40/32/15/1341403215.db2.gz IBPNANKEJPFCMO-UHFFFAOYSA-N 1 2 335.810 3.030 20 30 EGEDLO C[C@@H]1CC[C@H](C(=O)NCC2C[NH+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC001032025583 1341441506 /nfs/dbraw/zinc/44/15/06/1341441506.db2.gz VFLMVCPAZXVMLC-QAPCUYQASA-N 1 2 344.886 3.176 20 30 EGEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1csc(Cl)c1 ZINC001032029536 1341442190 /nfs/dbraw/zinc/44/21/90/1341442190.db2.gz FZVDOUHDXLDHTK-UHFFFAOYSA-N 1 2 344.867 3.115 20 30 EGEDLO Cc1cccc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)c1C ZINC001032165593 1341467027 /nfs/dbraw/zinc/46/70/27/1341467027.db2.gz OGDRZHZRAAXRFH-UHFFFAOYSA-N 1 2 339.464 3.098 20 30 EGEDLO Cc1cscc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032338529 1341498431 /nfs/dbraw/zinc/49/84/31/1341498431.db2.gz XCJBXISLLNHBMT-IRXDYDNUSA-N 1 2 337.448 3.027 20 30 EGEDLO Cc1cscc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032338529 1341498432 /nfs/dbraw/zinc/49/84/32/1341498432.db2.gz XCJBXISLLNHBMT-IRXDYDNUSA-N 1 2 337.448 3.027 20 30 EGEDLO C[C@]1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)CC=CCC1 ZINC001032420508 1341508765 /nfs/dbraw/zinc/50/87/65/1341508765.db2.gz SWPSUCPYZVAKCD-ZJOUEHCJSA-N 1 2 335.451 3.090 20 30 EGEDLO C[C@]1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)CC=CCC1 ZINC001032420508 1341508766 /nfs/dbraw/zinc/50/87/66/1341508766.db2.gz SWPSUCPYZVAKCD-ZJOUEHCJSA-N 1 2 335.451 3.090 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(OC)c(F)c1 ZINC001032558430 1341540110 /nfs/dbraw/zinc/54/01/10/1341540110.db2.gz VCNHPLJHPWBOMM-HOTGVXAUSA-N 1 2 346.446 3.222 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(OC)c(F)c1 ZINC001032558430 1341540112 /nfs/dbraw/zinc/54/01/12/1341540112.db2.gz VCNHPLJHPWBOMM-HOTGVXAUSA-N 1 2 346.446 3.222 20 30 EGEDLO C=Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)cc1 ZINC001032643379 1341568039 /nfs/dbraw/zinc/56/80/39/1341568039.db2.gz BEULXNYESGHPIP-SFTDATJTSA-N 1 2 343.430 3.300 20 30 EGEDLO C=Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)cc1 ZINC001032643379 1341568040 /nfs/dbraw/zinc/56/80/40/1341568040.db2.gz BEULXNYESGHPIP-SFTDATJTSA-N 1 2 343.430 3.300 20 30 EGEDLO C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1)C1CC1 ZINC001032981298 1341683680 /nfs/dbraw/zinc/68/36/80/1341683680.db2.gz DYQHUJXCFDCESE-MAUKXSAKSA-N 1 2 344.886 3.270 20 30 EGEDLO C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1)C1CC1 ZINC001032981298 1341683681 /nfs/dbraw/zinc/68/36/81/1341683681.db2.gz DYQHUJXCFDCESE-MAUKXSAKSA-N 1 2 344.886 3.270 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnc3c(F)cccc3c2)C1 ZINC001033268621 1341764048 /nfs/dbraw/zinc/76/40/48/1341764048.db2.gz CYLJFOBOCZPJJO-HNNXBMFYSA-N 1 2 347.821 3.273 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnc3c(F)cccc3c2)C1 ZINC001033268621 1341764049 /nfs/dbraw/zinc/76/40/49/1341764049.db2.gz CYLJFOBOCZPJJO-HNNXBMFYSA-N 1 2 347.821 3.273 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cc(F)ccc3F)C2)C1 ZINC001033400818 1341814585 /nfs/dbraw/zinc/81/45/85/1341814585.db2.gz XMZRQJMYJMVILE-MRXNPFEDSA-N 1 2 334.410 3.354 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cc(F)ccc3F)C2)C1 ZINC001033400818 1341814586 /nfs/dbraw/zinc/81/45/86/1341814586.db2.gz XMZRQJMYJMVILE-MRXNPFEDSA-N 1 2 334.410 3.354 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)c(F)c2F)C1 ZINC001033441052 1341825153 /nfs/dbraw/zinc/82/51/53/1341825153.db2.gz TYFFRJNPPNNFFO-GFCCVEGCSA-N 1 2 328.790 3.172 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)c(F)c2F)C1 ZINC001033441052 1341825154 /nfs/dbraw/zinc/82/51/54/1341825154.db2.gz TYFFRJNPPNNFFO-GFCCVEGCSA-N 1 2 328.790 3.172 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc3c(C)cccn3c2)C1 ZINC001033584582 1341883815 /nfs/dbraw/zinc/88/38/15/1341883815.db2.gz YJSFAWRNGYQUTI-INIZCTEOSA-N 1 2 331.847 3.147 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c(C)cccn3c2)C1 ZINC001033584582 1341883818 /nfs/dbraw/zinc/88/38/18/1341883818.db2.gz YJSFAWRNGYQUTI-INIZCTEOSA-N 1 2 331.847 3.147 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2ccc(F)cc2)C1 ZINC001033590626 1341886898 /nfs/dbraw/zinc/88/68/98/1341886898.db2.gz RDJCHUOPYJGPAR-INIZCTEOSA-N 1 2 338.854 3.389 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2ccc(F)cc2)C1 ZINC001033590626 1341886899 /nfs/dbraw/zinc/88/68/99/1341886899.db2.gz RDJCHUOPYJGPAR-INIZCTEOSA-N 1 2 338.854 3.389 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@]2(C)CCOc3ccccc32)C1 ZINC001033593293 1341888439 /nfs/dbraw/zinc/88/84/39/1341888439.db2.gz KMCCMHGWEIJQLT-DNVCBOLYSA-N 1 2 348.874 3.012 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(C)CCOc3ccccc32)C1 ZINC001033593293 1341888440 /nfs/dbraw/zinc/88/84/40/1341888440.db2.gz KMCCMHGWEIJQLT-DNVCBOLYSA-N 1 2 348.874 3.012 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(F)cc2Cl)C1 ZINC001033634752 1341917162 /nfs/dbraw/zinc/91/71/62/1341917162.db2.gz XKYJWCSURYHMFX-LBPRGKRZSA-N 1 2 331.218 3.378 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(F)cc2Cl)C1 ZINC001033634752 1341917163 /nfs/dbraw/zinc/91/71/63/1341917163.db2.gz XKYJWCSURYHMFX-LBPRGKRZSA-N 1 2 331.218 3.378 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3ncsc3c2)C1 ZINC001033636995 1341919457 /nfs/dbraw/zinc/91/94/57/1341919457.db2.gz IHMWRKQHNJESFC-ZDUSSCGKSA-N 1 2 335.860 3.195 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3ncsc3c2)C1 ZINC001033636995 1341919461 /nfs/dbraw/zinc/91/94/61/1341919461.db2.gz IHMWRKQHNJESFC-ZDUSSCGKSA-N 1 2 335.860 3.195 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@]2(C)CCc3ccccc3C2)C1 ZINC001033714323 1341972811 /nfs/dbraw/zinc/97/28/11/1341972811.db2.gz PKWCKYVRJVGILV-QUCCMNQESA-N 1 2 346.902 3.467 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(C)CCc3ccccc3C2)C1 ZINC001033714323 1341972812 /nfs/dbraw/zinc/97/28/12/1341972812.db2.gz PKWCKYVRJVGILV-QUCCMNQESA-N 1 2 346.902 3.467 20 30 EGEDLO CCN(C(=O)c1ccoc1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033750514 1341994984 /nfs/dbraw/zinc/99/49/84/1341994984.db2.gz TWHGXIGLRJIFEF-KRWDZBQOSA-N 1 2 341.386 3.027 20 30 EGEDLO CCN(C(=O)c1ccoc1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033750514 1341994986 /nfs/dbraw/zinc/99/49/86/1341994986.db2.gz TWHGXIGLRJIFEF-KRWDZBQOSA-N 1 2 341.386 3.027 20 30 EGEDLO CCN(C(=O)[C@@H]1C[C@H]1C)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033930514 1342094874 /nfs/dbraw/zinc/09/48/74/1342094874.db2.gz XJFJWZKQZQKFNA-BPQIPLTHSA-N 1 2 344.886 3.270 20 30 EGEDLO CCN(C(=O)[C@@H]1C[C@H]1C)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033930514 1342094877 /nfs/dbraw/zinc/09/48/77/1342094877.db2.gz XJFJWZKQZQKFNA-BPQIPLTHSA-N 1 2 344.886 3.270 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(F)c(F)c2F)C1 ZINC001033939879 1342101733 /nfs/dbraw/zinc/10/17/33/1342101733.db2.gz AJYHQFXFQHZGCE-LLVKDONJSA-N 1 2 346.780 3.393 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(F)c(F)c2F)C1 ZINC001033939879 1342101736 /nfs/dbraw/zinc/10/17/36/1342101736.db2.gz AJYHQFXFQHZGCE-LLVKDONJSA-N 1 2 346.780 3.393 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@@H+]([C@@H](C)c3ncccn3)C2)CC1 ZINC001033950523 1342109934 /nfs/dbraw/zinc/10/99/34/1342109934.db2.gz PJVSGBXDEJAHGN-WMZOPIPTSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@H+]([C@@H](C)c3ncccn3)C2)CC1 ZINC001033950523 1342109936 /nfs/dbraw/zinc/10/99/36/1342109936.db2.gz PJVSGBXDEJAHGN-WMZOPIPTSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+]([C@@H](C)c3nnc(C)o3)C2)CC1 ZINC001033952145 1342110530 /nfs/dbraw/zinc/11/05/30/1342110530.db2.gz ZIHQQYOBVGLUDG-WMLDXEAASA-N 1 2 346.475 3.108 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@H+]([C@@H](C)c3nnc(C)o3)C2)CC1 ZINC001033952145 1342110532 /nfs/dbraw/zinc/11/05/32/1342110532.db2.gz ZIHQQYOBVGLUDG-WMLDXEAASA-N 1 2 346.475 3.108 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cccc(OCC)c2)C1 ZINC001033966998 1342118300 /nfs/dbraw/zinc/11/83/00/1342118300.db2.gz CWBHZZQHBFSTDD-INIZCTEOSA-N 1 2 336.863 3.374 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(OCC)c2)C1 ZINC001033966998 1342118302 /nfs/dbraw/zinc/11/83/02/1342118302.db2.gz CWBHZZQHBFSTDD-INIZCTEOSA-N 1 2 336.863 3.374 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001033977440 1342126102 /nfs/dbraw/zinc/12/61/02/1342126102.db2.gz YYUBYTHDDUMKCW-RTBURBONSA-N 1 2 346.902 3.467 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001033977440 1342126106 /nfs/dbraw/zinc/12/61/06/1342126106.db2.gz YYUBYTHDDUMKCW-RTBURBONSA-N 1 2 346.902 3.467 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cncc(Cl)c2)C1 ZINC001033986593 1342132407 /nfs/dbraw/zinc/13/24/07/1342132407.db2.gz TYVQGLNPKIWZMZ-AWEZNQCLSA-N 1 2 328.243 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cncc(Cl)c2)C1 ZINC001033986593 1342132410 /nfs/dbraw/zinc/13/24/10/1342132410.db2.gz TYVQGLNPKIWZMZ-AWEZNQCLSA-N 1 2 328.243 3.024 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3c(c2)CCC3)C1 ZINC001034037767 1342176886 /nfs/dbraw/zinc/17/68/86/1342176886.db2.gz BAYNGEZBBADMGT-SFHVURJKSA-N 1 2 332.875 3.464 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3c(c2)CCC3)C1 ZINC001034037767 1342176890 /nfs/dbraw/zinc/17/68/90/1342176890.db2.gz BAYNGEZBBADMGT-SFHVURJKSA-N 1 2 332.875 3.464 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2c(F)cccc2OC)C1 ZINC001034215915 1342323534 /nfs/dbraw/zinc/32/35/34/1342323534.db2.gz CBXVLQLNIZUXTM-CYBMUJFWSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2c(F)cccc2OC)C1 ZINC001034215915 1342323540 /nfs/dbraw/zinc/32/35/40/1342323540.db2.gz CBXVLQLNIZUXTM-CYBMUJFWSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2c(C)noc2C2CC2)C1 ZINC001034313980 1342393992 /nfs/dbraw/zinc/39/39/92/1342393992.db2.gz GMDXQTYVACEAMX-AWEZNQCLSA-N 1 2 337.851 3.197 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2c(C)noc2C2CC2)C1 ZINC001034313980 1342393994 /nfs/dbraw/zinc/39/39/94/1342393994.db2.gz GMDXQTYVACEAMX-AWEZNQCLSA-N 1 2 337.851 3.197 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)C2(C)CCC2)C1 ZINC001034352032 1342421430 /nfs/dbraw/zinc/42/14/30/1342421430.db2.gz MYWIRKOKSQMKFB-ZDUSSCGKSA-N 1 2 329.282 3.056 20 30 EGEDLO C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001034349834 1342418676 /nfs/dbraw/zinc/41/86/76/1342418676.db2.gz WESOBPRGBXQGJF-KBAYOESNSA-N 1 2 344.886 3.318 20 30 EGEDLO C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001034349834 1342418680 /nfs/dbraw/zinc/41/86/80/1342418680.db2.gz WESOBPRGBXQGJF-KBAYOESNSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)C2(C)CCC2)C1 ZINC001034352032 1342421428 /nfs/dbraw/zinc/42/14/28/1342421428.db2.gz MYWIRKOKSQMKFB-ZDUSSCGKSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2c(F)ccc(F)c2F)C1 ZINC001034372797 1342441525 /nfs/dbraw/zinc/44/15/25/1342441525.db2.gz OWGVRONINNRATA-NSHDSACASA-N 1 2 346.780 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2c(F)ccc(F)c2F)C1 ZINC001034372797 1342441528 /nfs/dbraw/zinc/44/15/28/1342441528.db2.gz OWGVRONINNRATA-NSHDSACASA-N 1 2 346.780 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(OC)c2F)C1 ZINC001034460666 1342516959 /nfs/dbraw/zinc/51/69/59/1342516959.db2.gz KAWMJJLHZHJYPE-CYBMUJFWSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cccc(OC)c2F)C1 ZINC001034460666 1342516957 /nfs/dbraw/zinc/51/69/57/1342516957.db2.gz KAWMJJLHZHJYPE-CYBMUJFWSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C2CCC2)no1 ZINC001035037003 1342890703 /nfs/dbraw/zinc/89/07/03/1342890703.db2.gz KYMZGAFOYREYCU-BEFAXECRSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2sc3ccccc3c2C)C1 ZINC001035437434 1343091887 /nfs/dbraw/zinc/09/18/87/1343091887.db2.gz HMZBDMUAWXGRNX-HNNXBMFYSA-N 1 2 344.480 3.216 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2sc3ccccc3c2C)C1 ZINC001035437434 1343091890 /nfs/dbraw/zinc/09/18/90/1343091890.db2.gz HMZBDMUAWXGRNX-HNNXBMFYSA-N 1 2 344.480 3.216 20 30 EGEDLO CCC(=O)N1CCC2(C[NH+](CC#Cc3ccccc3Cl)C2)CC1 ZINC001035624644 1343105393 /nfs/dbraw/zinc/10/53/93/1343105393.db2.gz DCPIWKHWKSLYEJ-UHFFFAOYSA-N 1 2 330.859 3.026 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)CC1CC(F)(F)C1)CC2 ZINC001035734928 1343160594 /nfs/dbraw/zinc/16/05/94/1343160594.db2.gz NOLKASNSLLGODH-UHFFFAOYSA-N 1 2 332.822 3.099 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC2(C[NH+](Cc3nccs3)C2)CC1 ZINC001035781903 1343192872 /nfs/dbraw/zinc/19/28/72/1343192872.db2.gz CDUJNTQHUOAETG-QGZVFWFLSA-N 1 2 333.501 3.170 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC2(C[NH+](Cc3ncc(C)o3)C2)CC1 ZINC001035781946 1343192910 /nfs/dbraw/zinc/19/29/10/1343192910.db2.gz DIRVOFXLTXMPDE-SFHVURJKSA-N 1 2 331.460 3.010 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H](F)c1ccccc1)CC2 ZINC001035804040 1343206176 /nfs/dbraw/zinc/20/61/76/1343206176.db2.gz FJPPXQJTEZEJGZ-MRXNPFEDSA-N 1 2 336.838 3.374 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cccc(OC)c1C)CC2 ZINC001035805468 1343206868 /nfs/dbraw/zinc/20/68/68/1343206868.db2.gz DXXMBQZLJFYGMZ-UHFFFAOYSA-N 1 2 348.874 3.294 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C(C)(C)C(F)(F)F)CC2 ZINC001035840659 1343223094 /nfs/dbraw/zinc/22/30/94/1343223094.db2.gz DWVNLWQZAXBQMV-UHFFFAOYSA-N 1 2 338.801 3.252 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccc(OCC)cc1)CC2 ZINC001035845062 1343226586 /nfs/dbraw/zinc/22/65/86/1343226586.db2.gz XDNIFUXYWPPVJA-UHFFFAOYSA-N 1 2 348.874 3.376 20 30 EGEDLO CC1=C(C)C[C@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)CC1 ZINC001038285436 1344358575 /nfs/dbraw/zinc/35/85/75/1344358575.db2.gz DHCIRBOSGWAOJV-HZPDHXFCSA-N 1 2 343.496 3.447 20 30 EGEDLO CC1=C(C)C[C@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)CC1 ZINC001038285436 1344358581 /nfs/dbraw/zinc/35/85/81/1344358581.db2.gz DHCIRBOSGWAOJV-HZPDHXFCSA-N 1 2 343.496 3.447 20 30 EGEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1C[C@@H]1c1ccccc1 ZINC001038784887 1344581914 /nfs/dbraw/zinc/58/19/14/1344581914.db2.gz AZFIUAVUPHWHLJ-BDTNDASRSA-N 1 2 344.458 3.032 20 30 EGEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1C[C@@H]1c1ccccc1 ZINC001038784887 1344581919 /nfs/dbraw/zinc/58/19/19/1344581919.db2.gz AZFIUAVUPHWHLJ-BDTNDASRSA-N 1 2 344.458 3.032 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)C ZINC001039446500 1345071495 /nfs/dbraw/zinc/07/14/95/1345071495.db2.gz IMKMIFJIYAPYGY-KFWWJZLASA-N 1 2 343.309 3.252 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)C ZINC001039446500 1345071500 /nfs/dbraw/zinc/07/15/00/1345071500.db2.gz IMKMIFJIYAPYGY-KFWWJZLASA-N 1 2 343.309 3.252 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)nsc1C ZINC001039475998 1345090890 /nfs/dbraw/zinc/09/08/90/1345090890.db2.gz UMLXMDMLUSMFPD-KGLIPLIRSA-N 1 2 339.892 3.191 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)nsc1C ZINC001039475998 1345090894 /nfs/dbraw/zinc/09/08/94/1345090894.db2.gz UMLXMDMLUSMFPD-KGLIPLIRSA-N 1 2 339.892 3.191 20 30 EGEDLO C/C(=C/C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC#Cc1ccccc1)C1CC1 ZINC001039519028 1345126984 /nfs/dbraw/zinc/12/69/84/1345126984.db2.gz UKBKBPFVUAGUKS-NMADHJQOSA-N 1 2 348.490 3.460 20 30 EGEDLO C/C(=C/C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1)C1CC1 ZINC001039519028 1345126988 /nfs/dbraw/zinc/12/69/88/1345126988.db2.gz UKBKBPFVUAGUKS-NMADHJQOSA-N 1 2 348.490 3.460 20 30 EGEDLO Cc1cc(Br)cc(C#N)c1O[C@H]1CC[NH2+]CC1(F)F ZINC001218012553 1373536760 /nfs/dbraw/zinc/53/67/60/1373536760.db2.gz RLRVNHUOJPBHSO-NSHDSACASA-N 1 2 331.160 3.005 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(CC[N@H+](C/C(Cl)=C\Cl)C2)C1 ZINC001041544503 1345758915 /nfs/dbraw/zinc/75/89/15/1345758915.db2.gz OEAIFTSLTIEJPR-LRFDDAOPSA-N 1 2 331.287 3.442 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(CC[N@@H+](C/C(Cl)=C\Cl)C2)C1 ZINC001041544503 1345758916 /nfs/dbraw/zinc/75/89/16/1345758916.db2.gz OEAIFTSLTIEJPR-LRFDDAOPSA-N 1 2 331.287 3.442 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2C[C@H](Nc3cc[nH+]c(C)n3)C23CCC3)CC1 ZINC001041613155 1345794297 /nfs/dbraw/zinc/79/42/97/1345794297.db2.gz UZTXRDNJKHIHKK-IRXDYDNUSA-N 1 2 340.471 3.371 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2CCN(C(=O)C(F)=C(C)C)C[C@H]21 ZINC001042012491 1345925266 /nfs/dbraw/zinc/92/52/66/1345925266.db2.gz HZULZBHDLCEDPN-QWHCGFSZSA-N 1 2 345.256 3.081 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CCN(C(=O)C(F)=C(C)C)C[C@H]21 ZINC001042012491 1345925267 /nfs/dbraw/zinc/92/52/67/1345925267.db2.gz HZULZBHDLCEDPN-QWHCGFSZSA-N 1 2 345.256 3.081 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3cnoc3C(C)C)C[C@@H]21 ZINC001042296655 1346021222 /nfs/dbraw/zinc/02/12/22/1346021222.db2.gz DITKDTSWBBITLX-ZFWWWQNUSA-N 1 2 337.851 3.087 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cnoc3C(C)C)C[C@@H]21 ZINC001042296655 1346021224 /nfs/dbraw/zinc/02/12/24/1346021224.db2.gz DITKDTSWBBITLX-ZFWWWQNUSA-N 1 2 337.851 3.087 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(F)s3)C[C@H]21 ZINC001042373461 1346062252 /nfs/dbraw/zinc/06/22/52/1346062252.db2.gz GLMLNSWNWRBHMX-VXGBXAGGSA-N 1 2 328.840 3.176 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(F)s3)C[C@H]21 ZINC001042373461 1346062254 /nfs/dbraw/zinc/06/22/54/1346062254.db2.gz GLMLNSWNWRBHMX-VXGBXAGGSA-N 1 2 328.840 3.176 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](CC[C@H]3CC3(Cl)Cl)C2)C1 ZINC001043810822 1346212483 /nfs/dbraw/zinc/21/24/83/1346212483.db2.gz KHMWMPHMLICYOS-LBPRGKRZSA-N 1 2 331.287 3.069 20 30 EGEDLO C#Cc1ccccc1CC(=O)N(C)C1C[NH+](Cc2ccc(CC)cc2)C1 ZINC001044233443 1346280867 /nfs/dbraw/zinc/28/08/67/1346280867.db2.gz YXYJBNXIZJUOMK-UHFFFAOYSA-N 1 2 346.474 3.116 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncc(CC)o1 ZINC001045824426 1346708984 /nfs/dbraw/zinc/70/89/84/1346708984.db2.gz KPMMJMUQBZSNIS-CVEARBPZSA-N 1 2 345.487 3.405 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncc(CC)o1 ZINC001045824426 1346708985 /nfs/dbraw/zinc/70/89/85/1346708985.db2.gz KPMMJMUQBZSNIS-CVEARBPZSA-N 1 2 345.487 3.405 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC2(C(F)(F)F)CC2)CC[C@H]1C ZINC001132094762 1375143115 /nfs/dbraw/zinc/14/31/15/1375143115.db2.gz PEUWKQAPDIQZQT-VXGBXAGGSA-N 1 2 338.801 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC2(C(F)(F)F)CC2)CC[C@H]1C ZINC001132094762 1375143117 /nfs/dbraw/zinc/14/31/17/1375143117.db2.gz 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/nfs/dbraw/zinc/27/16/93/1349271693.db2.gz CCCAPALWILPNEV-UHFFFAOYSA-N 1 2 335.451 3.004 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc(Cl)ccc3F)cc2C1 ZINC001054273641 1349273588 /nfs/dbraw/zinc/27/35/88/1349273588.db2.gz UXLZCHKNIUQQMD-UHFFFAOYSA-N 1 2 342.801 3.358 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc(Cl)ccc3F)cc2C1 ZINC001054273641 1349273591 /nfs/dbraw/zinc/27/35/91/1349273591.db2.gz UXLZCHKNIUQQMD-UHFFFAOYSA-N 1 2 342.801 3.358 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3c[nH]c4ccc(F)cc34)cc2C1 ZINC001054293518 1349300217 /nfs/dbraw/zinc/30/02/17/1349300217.db2.gz PJMLEKWAABUELW-UHFFFAOYSA-N 1 2 347.393 3.186 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3c[nH]c4ccc(F)cc34)cc2C1 ZINC001054293518 1349300221 /nfs/dbraw/zinc/30/02/21/1349300221.db2.gz PJMLEKWAABUELW-UHFFFAOYSA-N 1 2 347.393 3.186 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001056750347 1349932251 /nfs/dbraw/zinc/93/22/51/1349932251.db2.gz AZEUTLORQODHKD-OAHLLOKOSA-N 1 2 342.487 3.279 20 30 EGEDLO 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ZINC001069864874 1354290755 /nfs/dbraw/zinc/29/07/55/1354290755.db2.gz KUXLSFQYYMSBOK-SJLPKXTDSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CCC[C@H]3CCC)c2C1 ZINC001069864874 1354290759 /nfs/dbraw/zinc/29/07/59/1354290759.db2.gz KUXLSFQYYMSBOK-SJLPKXTDSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C3CCCCCCC3)c2C1 ZINC001069867177 1354290809 /nfs/dbraw/zinc/29/08/09/1354290809.db2.gz BQUDMCGXPBUPHQ-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C3CCCCCCC3)c2C1 ZINC001069867177 1354290812 /nfs/dbraw/zinc/29/08/12/1354290812.db2.gz BQUDMCGXPBUPHQ-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)C(=C)C)C[C@@H](C)O2 ZINC001071199665 1354500604 /nfs/dbraw/zinc/50/06/04/1354500604.db2.gz ONDMBWCOAMTDNE-CRAIPNDOSA-N 1 2 340.895 3.033 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)C(=C)C)C[C@@H](C)O2 ZINC001071199665 1354500607 /nfs/dbraw/zinc/50/06/07/1354500607.db2.gz ONDMBWCOAMTDNE-CRAIPNDOSA-N 1 2 340.895 3.033 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C)cc1)C[C@@H](C)O2 ZINC001071235252 1354519181 /nfs/dbraw/zinc/51/91/81/1354519181.db2.gz BIGYLGIVWXVFCJ-VQIMIIECSA-N 1 2 348.874 3.053 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C)cc1)C[C@@H](C)O2 ZINC001071235252 1354519183 /nfs/dbraw/zinc/51/91/83/1354519183.db2.gz BIGYLGIVWXVFCJ-VQIMIIECSA-N 1 2 348.874 3.053 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)c2ccco2)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC001071312327 1354570621 /nfs/dbraw/zinc/57/06/21/1354570621.db2.gz JJQJGNVHDAPZRQ-BBRMVZONSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)c2ccco2)C[N@H+]1Cc1ccc(C#N)cc1F ZINC001071312327 1354570623 /nfs/dbraw/zinc/57/06/23/1354570623.db2.gz JJQJGNVHDAPZRQ-BBRMVZONSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)c2ccco2)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001071312033 1354571037 /nfs/dbraw/zinc/57/10/37/1354571037.db2.gz FJPNPCIXWZZXSA-CZUORRHYSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)c2ccco2)C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001071312033 1354571042 /nfs/dbraw/zinc/57/10/42/1354571042.db2.gz FJPNPCIXWZZXSA-CZUORRHYSA-N 1 2 341.386 3.073 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3ccc(C#N)s3)C2)o1 ZINC001071332905 1354597803 /nfs/dbraw/zinc/59/78/03/1354597803.db2.gz VQCLHNWWFKSZJF-TZMCWYRMSA-N 1 2 343.452 3.304 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3ccc(C#N)s3)C2)o1 ZINC001071332905 1354597807 /nfs/dbraw/zinc/59/78/07/1354597807.db2.gz VQCLHNWWFKSZJF-TZMCWYRMSA-N 1 2 343.452 3.304 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)CC2CCC2)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC001071399271 1354661903 /nfs/dbraw/zinc/66/19/03/1354661903.db2.gz QFCKQPXJRTXDAU-LIRRHRJNSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)CC2CCC2)C[N@H+]1Cc1cc(F)ccc1C#N ZINC001071399271 1354661904 /nfs/dbraw/zinc/66/19/04/1354661904.db2.gz QFCKQPXJRTXDAU-LIRRHRJNSA-N 1 2 343.446 3.357 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cc(C)co2)[C@H]1CC ZINC001087693932 1359594252 /nfs/dbraw/zinc/59/42/52/1359594252.db2.gz BIWYKPJQIVQSQL-QWHCGFSZSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)co2)[C@H]1CC ZINC001087693932 1359594256 /nfs/dbraw/zinc/59/42/56/1359594256.db2.gz BIWYKPJQIVQSQL-QWHCGFSZSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2nc(C)sc2C)CC[C@H]1C ZINC001071606537 1354791884 /nfs/dbraw/zinc/79/18/84/1354791884.db2.gz JUOVFXWIQQHHIA-MFKMUULPSA-N 1 2 327.881 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2nc(C)sc2C)CC[C@H]1C ZINC001071606537 1354791887 /nfs/dbraw/zinc/79/18/87/1354791887.db2.gz JUOVFXWIQQHHIA-MFKMUULPSA-N 1 2 327.881 3.095 20 30 EGEDLO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2n[nH]c3ccc(C)cc32)CC[C@H]1C ZINC001071642391 1354821654 /nfs/dbraw/zinc/82/16/54/1354821654.db2.gz PGKQYEHLFCEFEP-CVEARBPZSA-N 1 2 340.471 3.420 20 30 EGEDLO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2n[nH]c3ccc(C)cc32)CC[C@H]1C ZINC001071642391 1354821658 /nfs/dbraw/zinc/82/16/58/1354821658.db2.gz PGKQYEHLFCEFEP-CVEARBPZSA-N 1 2 340.471 3.420 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cccnc2C2CC2)CC[C@@H]1C ZINC001071647322 1354825076 /nfs/dbraw/zinc/82/50/76/1354825076.db2.gz GSPNMBMWOZIWNK-ZFWWWQNUSA-N 1 2 333.863 3.294 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cccnc2C2CC2)CC[C@@H]1C ZINC001071647322 1354825085 /nfs/dbraw/zinc/82/50/85/1354825085.db2.gz GSPNMBMWOZIWNK-ZFWWWQNUSA-N 1 2 333.863 3.294 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C)c(OC)c2)CC[C@@H]1C ZINC001071664057 1354836090 /nfs/dbraw/zinc/83/60/90/1354836090.db2.gz XGPNZVOOOMKLDY-HOCLYGCPSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc(C)c(OC)c2)CC[C@@H]1C ZINC001071664057 1354836095 /nfs/dbraw/zinc/83/60/95/1354836095.db2.gz XGPNZVOOOMKLDY-HOCLYGCPSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3ncc(C)o3)C2)CC1 ZINC001071789106 1354935042 /nfs/dbraw/zinc/93/50/42/1354935042.db2.gz ONIBNUAEPPSEPN-YOEHRIQHSA-N 1 2 331.460 3.199 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3ncc(C)o3)C2)CC1 ZINC001071789106 1354935049 /nfs/dbraw/zinc/93/50/49/1354935049.db2.gz ONIBNUAEPPSEPN-YOEHRIQHSA-N 1 2 331.460 3.199 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2cc(C)ccc2F)CC[C@H]1C ZINC001072008579 1355072502 /nfs/dbraw/zinc/07/25/02/1355072502.db2.gz IQEUSYLYYSZVEO-GDBMZVCRSA-N 1 2 338.854 3.398 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2cc(C)ccc2F)CC[C@H]1C ZINC001072008579 1355072507 /nfs/dbraw/zinc/07/25/07/1355072507.db2.gz IQEUSYLYYSZVEO-GDBMZVCRSA-N 1 2 338.854 3.398 20 30 EGEDLO CC#CC[N@@H+]1C[C@H](NC(=O)c2cnc(-c3ccco3)s2)CC[C@H]1C ZINC001072011838 1355076104 /nfs/dbraw/zinc/07/61/04/1355076104.db2.gz DJQHSCLPXTUNRX-ZIAGYGMSSA-N 1 2 343.452 3.009 20 30 EGEDLO CC#CC[N@H+]1C[C@H](NC(=O)c2cnc(-c3ccco3)s2)CC[C@H]1C ZINC001072011838 1355076108 /nfs/dbraw/zinc/07/61/08/1355076108.db2.gz DJQHSCLPXTUNRX-ZIAGYGMSSA-N 1 2 343.452 3.009 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2(c3ccccc3)CC2)CC[C@@H]1C ZINC001072040787 1355097319 /nfs/dbraw/zinc/09/73/19/1355097319.db2.gz NMFDZEBYCYTGSE-DOTOQJQBSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2(c3ccccc3)CC2)CC[C@@H]1C ZINC001072040787 1355097324 /nfs/dbraw/zinc/09/73/24/1355097324.db2.gz NMFDZEBYCYTGSE-DOTOQJQBSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc(COC)cc2)CC[C@@H]1C ZINC001072058781 1355107796 /nfs/dbraw/zinc/10/77/96/1355107796.db2.gz RLHTWNKEIZHBSN-WMLDXEAASA-N 1 2 336.863 3.168 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc(COC)cc2)CC[C@@H]1C ZINC001072058781 1355107800 /nfs/dbraw/zinc/10/78/00/1355107800.db2.gz RLHTWNKEIZHBSN-WMLDXEAASA-N 1 2 336.863 3.168 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1nnc(C)s1)C2 ZINC001072944808 1355512740 /nfs/dbraw/zinc/51/27/40/1355512740.db2.gz LSSGIBKGIYVUBL-CXAGYDPISA-N 1 2 348.516 3.044 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1nnc(C)s1)C2 ZINC001072944808 1355512744 /nfs/dbraw/zinc/51/27/44/1355512744.db2.gz LSSGIBKGIYVUBL-CXAGYDPISA-N 1 2 348.516 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001073906005 1355950753 /nfs/dbraw/zinc/95/07/53/1355950753.db2.gz QHZUVBCSSIMTDZ-JKSUJKDBSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001073906005 1355950756 /nfs/dbraw/zinc/95/07/56/1355950756.db2.gz QHZUVBCSSIMTDZ-JKSUJKDBSA-N 1 2 342.911 3.162 20 30 EGEDLO CCCc1nc(C[N@H+](C)C[C@H]2CCCCN2C(=O)[C@H](C)C#N)cs1 ZINC001073973085 1356005097 /nfs/dbraw/zinc/00/50/97/1356005097.db2.gz PZYYGWLZDUJAIH-GDBMZVCRSA-N 1 2 348.516 3.068 20 30 EGEDLO CCCc1nc(C[N@@H+](C)C[C@H]2CCCCN2C(=O)[C@H](C)C#N)cs1 ZINC001073973085 1356005103 /nfs/dbraw/zinc/00/51/03/1356005103.db2.gz PZYYGWLZDUJAIH-GDBMZVCRSA-N 1 2 348.516 3.068 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CC3(C)CCCCC3)C[C@H]21 ZINC001074290675 1356156570 /nfs/dbraw/zinc/15/65/70/1356156570.db2.gz AQDAPPGLPXAYDZ-MSOLQXFVSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CC3(C)CCCCC3)C[C@H]21 ZINC001074290675 1356156571 /nfs/dbraw/zinc/15/65/71/1356156571.db2.gz AQDAPPGLPXAYDZ-MSOLQXFVSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4ccccc4[nH]3)[C@@H]2C1 ZINC001076545262 1356614780 /nfs/dbraw/zinc/61/47/80/1356614780.db2.gz RFADMCRVUGNFQJ-WMLDXEAASA-N 1 2 329.831 3.067 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4ccccc4[nH]3)[C@@H]2C1 ZINC001076545262 1356614784 /nfs/dbraw/zinc/61/47/84/1356614784.db2.gz RFADMCRVUGNFQJ-WMLDXEAASA-N 1 2 329.831 3.067 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nocc1C ZINC001099098524 1363621488 /nfs/dbraw/zinc/62/14/88/1363621488.db2.gz QQEHYSYHKVDMOJ-MRXNPFEDSA-N 1 2 333.476 3.446 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nocc1C ZINC001099098524 1363621492 /nfs/dbraw/zinc/62/14/92/1363621492.db2.gz QQEHYSYHKVDMOJ-MRXNPFEDSA-N 1 2 333.476 3.446 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1ccc(F)s1 ZINC001081030815 1357787057 /nfs/dbraw/zinc/78/70/57/1357787057.db2.gz AAXQDHNQAIZRLR-IUODEOHRSA-N 1 2 343.427 3.009 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1ccc(F)s1 ZINC001081030815 1357787060 /nfs/dbraw/zinc/78/70/60/1357787060.db2.gz AAXQDHNQAIZRLR-IUODEOHRSA-N 1 2 343.427 3.009 20 30 EGEDLO C[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21)C1CCC1 ZINC001084443288 1358214780 /nfs/dbraw/zinc/21/47/80/1358214780.db2.gz FMEWMLURPYICPH-CWFSZBLJSA-N 1 2 337.467 3.027 20 30 EGEDLO C[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21)C1CCC1 ZINC001084443288 1358214783 /nfs/dbraw/zinc/21/47/83/1358214783.db2.gz FMEWMLURPYICPH-CWFSZBLJSA-N 1 2 337.467 3.027 20 30 EGEDLO C[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21)C(C)(C)C ZINC001084453648 1358217718 /nfs/dbraw/zinc/21/77/18/1358217718.db2.gz VYDVEWFMUPFFLH-ATZDWAIDSA-N 1 2 339.483 3.273 20 30 EGEDLO C[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21)C(C)(C)C ZINC001084453648 1358217723 /nfs/dbraw/zinc/21/77/23/1358217723.db2.gz VYDVEWFMUPFFLH-ATZDWAIDSA-N 1 2 339.483 3.273 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4ccccc43)[C@@H]2C1 ZINC001084454411 1358218004 /nfs/dbraw/zinc/21/80/04/1358218004.db2.gz PFHMHUXLHJWVQJ-BHIYHBOVSA-N 1 2 344.886 3.392 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4ccccc43)[C@@H]2C1 ZINC001084454411 1358218006 /nfs/dbraw/zinc/21/80/06/1358218006.db2.gz PFHMHUXLHJWVQJ-BHIYHBOVSA-N 1 2 344.886 3.392 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C)CCC(F)(F)CC3)[C@@H]2C1 ZINC001084462432 1358219963 /nfs/dbraw/zinc/21/99/63/1358219963.db2.gz NZYXRMCUTATVML-ZIAGYGMSSA-N 1 2 346.849 3.487 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C)CCC(F)(F)CC3)[C@@H]2C1 ZINC001084462432 1358219966 /nfs/dbraw/zinc/21/99/66/1358219966.db2.gz NZYXRMCUTATVML-ZIAGYGMSSA-N 1 2 346.849 3.487 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c4ccccc34)[C@@H]2C1 ZINC001084493610 1358225048 /nfs/dbraw/zinc/22/50/48/1358225048.db2.gz XZRRGWPSUKTMJI-CXAGYDPISA-N 1 2 329.831 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CCc1ccoc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084636568 1358264323 /nfs/dbraw/zinc/26/43/23/1358264323.db2.gz LMRJXEMBTSKTSP-RTBURBONSA-N 1 2 349.434 3.060 20 30 EGEDLO CCc1ccoc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084636568 1358264325 /nfs/dbraw/zinc/26/43/25/1358264325.db2.gz LMRJXEMBTSKTSP-RTBURBONSA-N 1 2 349.434 3.060 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(F)cc(F)c4)C[C@H]32)C1 ZINC001084646033 1358268574 /nfs/dbraw/zinc/26/85/74/1358268574.db2.gz QLIBBVWTDWVGML-CRAIPNDOSA-N 1 2 346.421 3.354 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(F)cc(F)c4)C[C@H]32)C1 ZINC001084646033 1358268576 /nfs/dbraw/zinc/26/85/76/1358268576.db2.gz QLIBBVWTDWVGML-CRAIPNDOSA-N 1 2 346.421 3.354 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3ccc(C)cc3)[C@@H]2C1 ZINC001084856069 1358330724 /nfs/dbraw/zinc/33/07/24/1358330724.db2.gz QVOHPQOMQAQYPH-KFKAGJAMSA-N 1 2 346.902 3.459 20 30 EGEDLO 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1361623376 /nfs/dbraw/zinc/62/33/76/1361623376.db2.gz SFNJUGDQJXOCRL-WNNMONSDSA-N 1 2 328.460 3.083 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3CC(C)(C)C)CC2)C1 ZINC001093537265 1361636698 /nfs/dbraw/zinc/63/66/98/1361636698.db2.gz LTXRHWQVVPSEON-QFBILLFUSA-N 1 2 348.531 3.327 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3CCC=CCCC3)CC2)C1 ZINC001093545787 1361638409 /nfs/dbraw/zinc/63/84/09/1361638409.db2.gz RQXZIZFFGXRQSB-KRWDZBQOSA-N 1 2 332.488 3.001 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCC[C@@H]3CCC)CC2)C1 ZINC001093548636 1361639265 /nfs/dbraw/zinc/63/92/65/1361639265.db2.gz JLLDPUGJMUQDSW-FXAWDEMLSA-N 1 2 348.531 3.471 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3c(C)oc(C)c3C)CC2)C1 ZINC001093550604 1361640366 /nfs/dbraw/zinc/64/03/66/1361640366.db2.gz RBHOUBSTWOESKL-UHFFFAOYSA-N 1 2 346.471 3.086 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3[C@@H](C=C(C)C)C3(C)C)CC2)C1 ZINC001093554037 1361640953 /nfs/dbraw/zinc/64/09/53/1361640953.db2.gz 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C=CC[C@@H](C(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001095039107 1361994557 /nfs/dbraw/zinc/99/45/57/1361994557.db2.gz VVPIIGRSKHANNN-QZTJIDSGSA-N 1 2 336.439 3.158 20 30 EGEDLO C=CC1(CC(=O)N2CC[C@@H](Nc3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001095048726 1361997070 /nfs/dbraw/zinc/99/70/70/1361997070.db2.gz MESWGWKLFJHCMV-MRXNPFEDSA-N 1 2 328.460 3.324 20 30 EGEDLO C=C(C)CCC(=O)N1CCCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001095194969 1362049210 /nfs/dbraw/zinc/04/92/10/1362049210.db2.gz KJZCCBVLHSBNQB-UHFFFAOYSA-N 1 2 330.476 3.303 20 30 EGEDLO Cc1cc(N[C@@H]2CCCN(C(=O)C#CC(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC001095293853 1362086668 /nfs/dbraw/zinc/08/66/68/1362086668.db2.gz BFWZFDGSHPHNGZ-MRXNPFEDSA-N 1 2 342.487 3.361 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095310720 1362094652 /nfs/dbraw/zinc/09/46/52/1362094652.db2.gz DLVYBYKZFHBCDL-MRXNPFEDSA-N 1 2 328.460 3.422 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nsc3ccccc31)C2 ZINC001095459440 1362148660 /nfs/dbraw/zinc/14/86/60/1362148660.db2.gz RKKIPIVQOQEVFV-XBFCOCLRSA-N 1 2 347.871 3.384 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nsc3ccccc31)C2 ZINC001095459440 1362148662 /nfs/dbraw/zinc/14/86/62/1362148662.db2.gz RKKIPIVQOQEVFV-XBFCOCLRSA-N 1 2 347.871 3.384 20 30 EGEDLO C=CCC1(C(=O)NCCCN(CC)c2cc[nH+]c(C)n2)CCCC1 ZINC001095893155 1362275332 /nfs/dbraw/zinc/27/53/32/1362275332.db2.gz JBLTYTOCXAAODD-UHFFFAOYSA-N 1 2 330.476 3.254 20 30 EGEDLO C=C(C)CCC(=O)NCCCN(c1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001096052812 1362354766 /nfs/dbraw/zinc/35/47/66/1362354766.db2.gz ISQKMXZJDWPNIV-UHFFFAOYSA-N 1 2 342.487 3.494 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)c1cc(C)oc1C)C2 ZINC001096179209 1362417538 /nfs/dbraw/zinc/41/75/38/1362417538.db2.gz YPYOQPJGPQKFHS-IRWJRLHMSA-N 1 2 336.863 3.474 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)c1cc(C)oc1C)C2 ZINC001096179209 1362417539 /nfs/dbraw/zinc/41/75/39/1362417539.db2.gz YPYOQPJGPQKFHS-IRWJRLHMSA-N 1 2 336.863 3.474 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001096233636 1362445943 /nfs/dbraw/zinc/44/59/43/1362445943.db2.gz YOHUOEHMXPSWMF-QFBILLFUSA-N 1 2 330.476 3.089 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncc3ccccc31)C2 ZINC001096602012 1362592998 /nfs/dbraw/zinc/59/29/98/1362592998.db2.gz VJOPBJMUIKSMHF-JLSDUUJJSA-N 1 2 341.842 3.322 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncc3ccccc31)C2 ZINC001096602012 1362593000 /nfs/dbraw/zinc/59/30/00/1362593000.db2.gz VJOPBJMUIKSMHF-JLSDUUJJSA-N 1 2 341.842 3.322 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H](Nc3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001096943207 1362785954 /nfs/dbraw/zinc/78/59/54/1362785954.db2.gz QLTQSSLKAJFMCI-INIZCTEOSA-N 1 2 328.460 3.324 20 30 EGEDLO Cc1cc(N[C@H]2C[C@@H](NC(=O)C#CC(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC001097181657 1362876516 /nfs/dbraw/zinc/87/65/16/1362876516.db2.gz QHOBITPRBWSCFJ-GASCZTMLSA-N 1 2 328.460 3.017 20 30 EGEDLO C=CC[C@H](C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001097186530 1362877954 /nfs/dbraw/zinc/87/79/54/1362877954.db2.gz GRPZWXOIRSLIOH-KSZLIROESA-N 1 2 336.439 3.204 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097342199 1362942991 /nfs/dbraw/zinc/94/29/91/1362942991.db2.gz UNTHMSVHDRJONM-QZTJIDSGSA-N 1 2 344.503 3.337 20 30 EGEDLO C=CCCC(=O)NC[C@H]1CCCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001097397152 1362971697 /nfs/dbraw/zinc/97/16/97/1362971697.db2.gz QXQRIOZBEPHKLN-MRXNPFEDSA-N 1 2 328.460 3.104 20 30 EGEDLO C=CCCC(=O)NC[C@H]1CCCCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC001097397770 1362972141 /nfs/dbraw/zinc/97/21/41/1362972141.db2.gz YXIWZWLYFHMYFJ-MRXNPFEDSA-N 1 2 330.476 3.350 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3ccn(C)c3c1)C2 ZINC001098155125 1363238062 /nfs/dbraw/zinc/23/80/62/1363238062.db2.gz CYLBDTSBTBRVOS-ZACQAIPSSA-N 1 2 343.858 3.266 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3ccn(C)c3c1)C2 ZINC001098155125 1363238064 /nfs/dbraw/zinc/23/80/64/1363238064.db2.gz CYLBDTSBTBRVOS-ZACQAIPSSA-N 1 2 343.858 3.266 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001098182004 1363246686 /nfs/dbraw/zinc/24/66/86/1363246686.db2.gz RSCHOTZAZZTOKT-CYBMUJFWSA-N 1 2 330.476 3.183 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)c1cccc(F)c1)C2 ZINC001098443701 1363326835 /nfs/dbraw/zinc/32/68/35/1363326835.db2.gz XNWIEAWDNNWPGL-YYQUZTFQSA-N 1 2 336.838 3.403 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)c1cccc(F)c1)C2 ZINC001098443701 1363326836 /nfs/dbraw/zinc/32/68/36/1363326836.db2.gz XNWIEAWDNNWPGL-YYQUZTFQSA-N 1 2 336.838 3.403 20 30 EGEDLO C#CCC1(C(=O)N2CC[C@H](CNc3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001098534290 1363358002 /nfs/dbraw/zinc/35/80/02/1363358002.db2.gz ODZPFTNRRHLWEY-QGZVFWFLSA-N 1 2 340.471 3.019 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001098689532 1363435665 /nfs/dbraw/zinc/43/56/65/1363435665.db2.gz DPPWVDQGCLFJEA-GOSISDBHSA-N 1 2 342.487 3.023 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccnc(Cl)c1 ZINC001098974811 1363549184 /nfs/dbraw/zinc/54/91/84/1363549184.db2.gz ACQTXIKMNKJBSD-DZGCQCFKSA-N 1 2 348.878 3.001 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccnc(Cl)c1 ZINC001098974811 1363549189 /nfs/dbraw/zinc/54/91/89/1363549189.db2.gz ACQTXIKMNKJBSD-DZGCQCFKSA-N 1 2 348.878 3.001 20 30 EGEDLO Cc1conc1C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001099069642 1363605576 /nfs/dbraw/zinc/60/55/76/1363605576.db2.gz KLFOYXOXDHYVQU-INIZCTEOSA-N 1 2 345.487 3.139 20 30 EGEDLO Cc1conc1C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001099069642 1363605579 /nfs/dbraw/zinc/60/55/79/1363605579.db2.gz KLFOYXOXDHYVQU-INIZCTEOSA-N 1 2 345.487 3.139 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(COCC)CC1 ZINC001099131267 1363643811 /nfs/dbraw/zinc/64/38/11/1363643811.db2.gz ZCPOVBWGJLDHJL-HNNXBMFYSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(COCC)CC1 ZINC001099131267 1363643816 /nfs/dbraw/zinc/64/38/16/1363643816.db2.gz ZCPOVBWGJLDHJL-HNNXBMFYSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ccn(C)n1 ZINC001099194724 1363685472 /nfs/dbraw/zinc/68/54/72/1363685472.db2.gz RIZBAGIVOQKZTK-WMZOPIPTSA-N 1 2 346.519 3.129 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ccn(C)n1 ZINC001099194724 1363685475 /nfs/dbraw/zinc/68/54/75/1363685475.db2.gz RIZBAGIVOQKZTK-WMZOPIPTSA-N 1 2 346.519 3.129 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nccn1C ZINC001099194217 1363685718 /nfs/dbraw/zinc/68/57/18/1363685718.db2.gz MACSCWJJCCJAEX-DLBZAZTESA-N 1 2 346.519 3.129 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nccn1C ZINC001099194217 1363685719 /nfs/dbraw/zinc/68/57/19/1363685719.db2.gz MACSCWJJCCJAEX-DLBZAZTESA-N 1 2 346.519 3.129 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ccon1 ZINC001099251610 1363713958 /nfs/dbraw/zinc/71/39/58/1363713958.db2.gz LNOAEYAAJAZPLG-INIZCTEOSA-N 1 2 333.476 3.384 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ccon1 ZINC001099251610 1363713960 /nfs/dbraw/zinc/71/39/60/1363713960.db2.gz LNOAEYAAJAZPLG-INIZCTEOSA-N 1 2 333.476 3.384 20 30 EGEDLO CC#CCCCC(=O)NCC[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001099636099 1363895531 /nfs/dbraw/zinc/89/55/31/1363895531.db2.gz HXQZLPAZGHGTLM-HNNXBMFYSA-N 1 2 342.487 3.164 20 30 EGEDLO CCCCCCC[NH2+]C1CC(CNC(=O)C(F)C(F)(F)F)C1 ZINC001100347775 1364086574 /nfs/dbraw/zinc/08/65/74/1364086574.db2.gz NZZXZRCQPNLRSZ-WXRRBKDZSA-N 1 2 326.378 3.342 20 30 EGEDLO CCCCCCC[NH2+]C1CC(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001100347775 1364086578 /nfs/dbraw/zinc/08/65/78/1364086578.db2.gz NZZXZRCQPNLRSZ-WXRRBKDZSA-N 1 2 326.378 3.342 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001100896510 1364319401 /nfs/dbraw/zinc/31/94/01/1364319401.db2.gz ZDMWAYRGKYCXLY-IRXDYDNUSA-N 1 2 330.476 3.089 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H]2CCCN2c2nc(C)[nH+]c(C)c2C)CCC1 ZINC001100904279 1364323908 /nfs/dbraw/zinc/32/39/08/1364323908.db2.gz NUKXLYYMXUBNAD-KRWDZBQOSA-N 1 2 342.487 3.233 20 30 EGEDLO C#CCC1(C(=O)NCCN(CCC)c2cc[nH+]c(C)n2)CCCCC1 ZINC001101155877 1364437007 /nfs/dbraw/zinc/43/70/07/1364437007.db2.gz NTNYVDKBBWCDMZ-UHFFFAOYSA-N 1 2 342.487 3.091 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)CCCCC(C)(C)C)c1nccn12 ZINC001101629740 1364661336 /nfs/dbraw/zinc/66/13/36/1364661336.db2.gz ZUHMNAKMXTYFNT-MRXNPFEDSA-N 1 2 344.503 3.248 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)CCCC[C@H](C)CC)c1nccn12 ZINC001101630725 1364662147 /nfs/dbraw/zinc/66/21/47/1364662147.db2.gz MALWTKHUCSHPQZ-IAGOWNOFSA-N 1 2 344.503 3.248 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H](CC)C(C)(C)C)c1nccn12 ZINC001101650821 1364673726 /nfs/dbraw/zinc/67/37/26/1364673726.db2.gz CFBUYBOGUJJGGE-JKSUJKDBSA-N 1 2 344.503 3.103 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nc(C)[nH+]c(C)c1C ZINC001102206818 1364933323 /nfs/dbraw/zinc/93/33/23/1364933323.db2.gz RTXVYTYRBPNBFI-OBQMCUGOSA-N 1 2 342.487 3.040 20 30 EGEDLO C#CCCCCC(=O)N(C)[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001102691756 1365171679 /nfs/dbraw/zinc/17/16/79/1365171679.db2.gz HCGKIRFTNRYNRE-KRWDZBQOSA-N 1 2 342.487 3.139 20 30 EGEDLO C=C(C)CCC(=O)N(CC)[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102817710 1365233643 /nfs/dbraw/zinc/23/36/43/1365233643.db2.gz ILWRFLSGMFGHGY-KRWDZBQOSA-N 1 2 330.476 3.185 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001102857439 1365255887 /nfs/dbraw/zinc/25/58/87/1365255887.db2.gz ANRQKWZSEWPENR-INIZCTEOSA-N 1 2 330.476 3.350 20 30 EGEDLO C=CCCC(=O)NCC[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102903086 1365284357 /nfs/dbraw/zinc/28/43/57/1365284357.db2.gz WZDGPOBQSKWYJW-INIZCTEOSA-N 1 2 342.487 3.351 20 30 EGEDLO C=CCCC(=O)N[C@@](C)(CNc1nc(C)[nH+]c2c1CCCC2)C1CC1 ZINC001103491462 1365594277 /nfs/dbraw/zinc/59/42/77/1365594277.db2.gz NSWNFHAPBVOBQW-FQEVSTJZSA-N 1 2 342.487 3.327 20 30 EGEDLO C#CCCCC(=O)N[C@]1(CNc2cc[nH+]c(C)n2)CCCC[C@H]1C ZINC001103599363 1365665456 /nfs/dbraw/zinc/66/54/56/1365665456.db2.gz LRKITSYTJMGKAG-BEFAXECRSA-N 1 2 328.460 3.066 20 30 EGEDLO C#CCC1(C(=O)NC[C@H](C)CNc2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001104101722 1365911598 /nfs/dbraw/zinc/91/15/98/1365911598.db2.gz YFSIPLWPKDFRPQ-CQSZACIVSA-N 1 2 340.471 3.020 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@H](C)CNc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC001104155363 1365929393 /nfs/dbraw/zinc/92/93/93/1365929393.db2.gz BQVGYTKPZXWYAF-CQSZACIVSA-N 1 2 348.450 3.122 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)c2noc(C)n2)C1 ZINC001104485649 1366045288 /nfs/dbraw/zinc/04/52/88/1366045288.db2.gz HCFLOZFGDLBZDS-IJEWVQPXSA-N 1 2 348.491 3.116 20 30 EGEDLO C#CCCCCC(=O)N[C@H](CNc1cc[nH+]c(C)n1)C1CCCCC1 ZINC001105015968 1366275031 /nfs/dbraw/zinc/27/50/31/1366275031.db2.gz ARYLRSPELRWRSC-GOSISDBHSA-N 1 2 342.487 3.456 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H](Nc3cc[nH+]c(C)n3)[C@H](C)C2)CCC1 ZINC001105056731 1366297865 /nfs/dbraw/zinc/29/78/65/1366297865.db2.gz GNSCHQOMUTWGEX-ZBFHGGJFSA-N 1 2 328.460 3.180 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[C@H]([C@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001105081199 1366313796 /nfs/dbraw/zinc/31/37/96/1366313796.db2.gz HXCAMSHYSLBLRF-WMZOPIPTSA-N 1 2 342.487 3.408 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1cc[nH+]c(C)n1 ZINC001105098217 1366326759 /nfs/dbraw/zinc/32/67/59/1366326759.db2.gz WRUUIJRQKTYVCB-GOEBONIOSA-N 1 2 330.476 3.426 20 30 EGEDLO C#CCCCCC(=O)NC[C@H](Nc1cc(C)[nH+]c(C2CC2)n1)C(C)C ZINC001105158704 1366349838 /nfs/dbraw/zinc/34/98/38/1366349838.db2.gz ZOZCGHJRNMGELU-KRWDZBQOSA-N 1 2 342.487 3.409 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N(C)CCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001105528143 1366511908 /nfs/dbraw/zinc/51/19/08/1366511908.db2.gz HKCCNTIMSZFVNK-LSDHHAIUSA-N 1 2 344.503 3.017 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H](C)C(CC)CC)CC2)C1 ZINC001105714306 1366582344 /nfs/dbraw/zinc/58/23/44/1366582344.db2.gz SUHNVXQZWQHYIJ-MRXNPFEDSA-N 1 2 336.520 3.327 20 30 EGEDLO CC#CCCCC(=O)N[C@H](C)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106530162 1366724148 /nfs/dbraw/zinc/72/41/48/1366724148.db2.gz VBNBWGVPKWXVBH-CQSZACIVSA-N 1 2 328.460 3.163 20 30 EGEDLO C#CCC1(C(=O)N(CC)CCNc2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001106864852 1366819966 /nfs/dbraw/zinc/81/99/66/1366819966.db2.gz QMIVZDULXWJOAC-UHFFFAOYSA-N 1 2 340.471 3.116 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]([N@H+](C)Cc2ncc(-c3cccs3)o2)C1 ZINC001189318858 1366988331 /nfs/dbraw/zinc/98/83/31/1366988331.db2.gz RCQRHDCOSOQOAO-AWEZNQCLSA-N 1 2 345.468 3.402 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(-c3cccs3)o2)C1 ZINC001189318858 1366988335 /nfs/dbraw/zinc/98/83/35/1366988335.db2.gz RCQRHDCOSOQOAO-AWEZNQCLSA-N 1 2 345.468 3.402 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001109189122 1366993954 /nfs/dbraw/zinc/99/39/54/1366993954.db2.gz HLCYGHGVXLKXNW-OAHLLOKOSA-N 1 2 332.492 3.452 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1csnn1)CC2 ZINC001107499130 1366997813 /nfs/dbraw/zinc/99/78/13/1366997813.db2.gz AXMPMZBKKSFGFE-CRAIPNDOSA-N 1 2 348.516 3.001 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1csnn1)CC2 ZINC001107499130 1366997815 /nfs/dbraw/zinc/99/78/15/1366997815.db2.gz AXMPMZBKKSFGFE-CRAIPNDOSA-N 1 2 348.516 3.001 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1csnn1)CC2 ZINC001107514910 1367012712 /nfs/dbraw/zinc/01/27/12/1367012712.db2.gz CFMFTCOBLOCQFB-QGPMSJSTSA-N 1 2 348.516 3.001 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1csnn1)CC2 ZINC001107514910 1367012719 /nfs/dbraw/zinc/01/27/19/1367012719.db2.gz CFMFTCOBLOCQFB-QGPMSJSTSA-N 1 2 348.516 3.001 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H](C)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001109224591 1367012988 /nfs/dbraw/zinc/01/29/88/1367012988.db2.gz ACBFJYWXIKZQPS-DNVCBOLYSA-N 1 2 332.492 3.452 20 30 EGEDLO CC/C(C)=C/C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109244899 1367023153 /nfs/dbraw/zinc/02/31/53/1367023153.db2.gz BJVVPSVBNQJAEY-QJHRFREFSA-N 1 2 341.430 3.275 20 30 EGEDLO CC/C(C)=C/C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109244899 1367023158 /nfs/dbraw/zinc/02/31/58/1367023158.db2.gz BJVVPSVBNQJAEY-QJHRFREFSA-N 1 2 341.430 3.275 20 30 EGEDLO C#CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C(CC)CC)n2)C1 ZINC001189909993 1367129137 /nfs/dbraw/zinc/12/91/37/1367129137.db2.gz KMNMUEJDVXKTKM-IBGZPJMESA-N 1 2 344.503 3.080 20 30 EGEDLO C#CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C(CC)CC)n2)C1 ZINC001189909993 1367129141 /nfs/dbraw/zinc/12/91/41/1367129141.db2.gz KMNMUEJDVXKTKM-IBGZPJMESA-N 1 2 344.503 3.080 20 30 EGEDLO C=CC[C@H](C(=O)N(C)CCCNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001109457666 1367132347 /nfs/dbraw/zinc/13/23/47/1367132347.db2.gz CVZRAQVAVBOJSD-SFHVURJKSA-N 1 2 338.455 3.405 20 30 EGEDLO C=CCCC(=O)NC[C@]1(C)C[N@H+]([C@@H](C)c2cccc(F)c2)CCO1 ZINC001107805236 1367153922 /nfs/dbraw/zinc/15/39/22/1367153922.db2.gz VAAFMIXKNDMFBZ-HNAYVOBHSA-N 1 2 334.435 3.060 20 30 EGEDLO C=CCCC(=O)NC[C@]1(C)C[N@@H+]([C@@H](C)c2cccc(F)c2)CCO1 ZINC001107805236 1367153926 /nfs/dbraw/zinc/15/39/26/1367153926.db2.gz VAAFMIXKNDMFBZ-HNAYVOBHSA-N 1 2 334.435 3.060 20 30 EGEDLO C[N@H+](Cc1cc(C(C)(C)C)on1)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190075786 1367166107 /nfs/dbraw/zinc/16/61/07/1367166107.db2.gz FTQRURAVTWFMOG-MRXNPFEDSA-N 1 2 345.487 3.054 20 30 EGEDLO C[N@@H+](Cc1cc(C(C)(C)C)on1)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190075786 1367166114 /nfs/dbraw/zinc/16/61/14/1367166114.db2.gz FTQRURAVTWFMOG-MRXNPFEDSA-N 1 2 345.487 3.054 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@]1(C)C[N@H+](Cc2csc(C)c2)CCO1 ZINC001107976125 1367227194 /nfs/dbraw/zinc/22/71/94/1367227194.db2.gz CSFRPDQSPFVIBD-SFHVURJKSA-N 1 2 336.501 3.120 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@]1(C)C[N@@H+](Cc2csc(C)c2)CCO1 ZINC001107976125 1367227200 /nfs/dbraw/zinc/22/72/00/1367227200.db2.gz CSFRPDQSPFVIBD-SFHVURJKSA-N 1 2 336.501 3.120 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC001190397797 1367252656 /nfs/dbraw/zinc/25/26/56/1367252656.db2.gz OYQQXNYTAIGCDP-OAHLLOKOSA-N 1 2 345.487 3.188 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC001190397797 1367252661 /nfs/dbraw/zinc/25/26/61/1367252661.db2.gz OYQQXNYTAIGCDP-OAHLLOKOSA-N 1 2 345.487 3.188 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2sc3ccccc3c2C)C1 ZINC001108061502 1367262185 /nfs/dbraw/zinc/26/21/85/1367262185.db2.gz NDTCKTVTXKQUOT-IBGZPJMESA-N 1 2 344.480 3.216 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2sc3ccccc3c2C)C1 ZINC001108061502 1367262186 /nfs/dbraw/zinc/26/21/86/1367262186.db2.gz NDTCKTVTXKQUOT-IBGZPJMESA-N 1 2 344.480 3.216 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2nc(CCCC)no2)C1 ZINC001190436511 1367264995 /nfs/dbraw/zinc/26/49/95/1367264995.db2.gz VTRMAAUAIDQBQN-JKSUJKDBSA-N 1 2 348.491 3.362 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2nc(CCCC)no2)C1 ZINC001190436511 1367264997 /nfs/dbraw/zinc/26/49/97/1367264997.db2.gz VTRMAAUAIDQBQN-JKSUJKDBSA-N 1 2 348.491 3.362 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)C[N@H+]([C@H](C)c2cccc(F)c2)CCO1 ZINC001108122153 1367292189 /nfs/dbraw/zinc/29/21/89/1367292189.db2.gz OBNZYVZXLMIAMK-QRWLVFNGSA-N 1 2 348.462 3.306 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)C[N@@H+]([C@H](C)c2cccc(F)c2)CCO1 ZINC001108122153 1367292195 /nfs/dbraw/zinc/29/21/95/1367292195.db2.gz OBNZYVZXLMIAMK-QRWLVFNGSA-N 1 2 348.462 3.306 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC001108148787 1367310302 /nfs/dbraw/zinc/31/03/02/1367310302.db2.gz OHGCTKIESZJRON-UZLBHIALSA-N 1 2 348.462 3.135 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC001108148787 1367310306 /nfs/dbraw/zinc/31/03/06/1367310306.db2.gz OHGCTKIESZJRON-UZLBHIALSA-N 1 2 348.462 3.135 20 30 EGEDLO C#CCCCCC(=O)N[C@H](CNc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001109813635 1367338062 /nfs/dbraw/zinc/33/80/62/1367338062.db2.gz SDCPYPMDMQUJRW-QGZVFWFLSA-N 1 2 342.487 3.409 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@]1(C)C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC001108246641 1367359638 /nfs/dbraw/zinc/35/96/38/1367359638.db2.gz RUWDMLAAWONMCF-HXUWFJFHSA-N 1 2 348.462 3.135 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC001108246641 1367359645 /nfs/dbraw/zinc/35/96/45/1367359645.db2.gz RUWDMLAAWONMCF-HXUWFJFHSA-N 1 2 348.462 3.135 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@@H](CC)C1 ZINC001110029597 1367466546 /nfs/dbraw/zinc/46/65/46/1367466546.db2.gz IPCYTNWTZJBSBI-IRXDYDNUSA-N 1 2 328.460 3.018 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@H](CC)C1 ZINC001110029596 1367466759 /nfs/dbraw/zinc/46/67/59/1367466759.db2.gz IPCYTNWTZJBSBI-IAGOWNOFSA-N 1 2 328.460 3.018 20 30 EGEDLO C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)c1ccccc1)C2 ZINC001110065816 1367491023 /nfs/dbraw/zinc/49/10/23/1367491023.db2.gz KIORPXZJVMZACT-LMCOJAPRSA-N 1 2 342.483 3.104 20 30 EGEDLO C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)c1ccccc1)C2 ZINC001110065816 1367491026 /nfs/dbraw/zinc/49/10/26/1367491026.db2.gz KIORPXZJVMZACT-LMCOJAPRSA-N 1 2 342.483 3.104 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2csc(CC)n2)C1 ZINC001191763661 1367580688 /nfs/dbraw/zinc/58/06/88/1367580688.db2.gz NDGZBEDONNTDDS-KRWDZBQOSA-N 1 2 347.528 3.322 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]([N@H+](C)Cc2csc(CC)n2)C1 ZINC001191763661 1367580693 /nfs/dbraw/zinc/58/06/93/1367580693.db2.gz NDGZBEDONNTDDS-KRWDZBQOSA-N 1 2 347.528 3.322 20 30 EGEDLO CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110292619 1367616696 /nfs/dbraw/zinc/61/66/96/1367616696.db2.gz JRWUGPRZKFPABE-NXHRZFHOSA-N 1 2 329.419 3.109 20 30 EGEDLO CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110292619 1367616702 /nfs/dbraw/zinc/61/67/02/1367616702.db2.gz JRWUGPRZKFPABE-NXHRZFHOSA-N 1 2 329.419 3.109 20 30 EGEDLO CC(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001108918639 1367663294 /nfs/dbraw/zinc/66/32/94/1367663294.db2.gz HHVMNUDTSGFULU-NEWSRXKRSA-N 1 2 343.446 3.355 20 30 EGEDLO CC(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001108918639 1367663298 /nfs/dbraw/zinc/66/32/98/1367663298.db2.gz HHVMNUDTSGFULU-NEWSRXKRSA-N 1 2 343.446 3.355 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc2ccc(F)cc2o1 ZINC001110371128 1367673946 /nfs/dbraw/zinc/67/39/46/1367673946.db2.gz CFUBISBWJKZIGF-BMFZPTHFSA-N 1 2 343.402 3.155 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc2ccc(F)cc2o1 ZINC001110371128 1367673952 /nfs/dbraw/zinc/67/39/52/1367673952.db2.gz CFUBISBWJKZIGF-BMFZPTHFSA-N 1 2 343.402 3.155 20 30 EGEDLO C#CCCCCC(=O)N[C@H](C)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001108943337 1367675098 /nfs/dbraw/zinc/67/50/98/1367675098.db2.gz QHRJSQBQIJWGRK-MRXNPFEDSA-N 1 2 330.476 3.043 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccn(C(C)C)n3)C2)CCC1 ZINC001192226690 1367724729 /nfs/dbraw/zinc/72/47/29/1367724729.db2.gz LNBDRSOISOBTJD-SFHVURJKSA-N 1 2 344.503 3.243 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3ccn(C(C)C)n3)C2)CCC1 ZINC001192226690 1367724733 /nfs/dbraw/zinc/72/47/33/1367724733.db2.gz LNBDRSOISOBTJD-SFHVURJKSA-N 1 2 344.503 3.243 20 30 EGEDLO C=CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cc(C)[nH+]c(CC)n1 ZINC001110451838 1367737472 /nfs/dbraw/zinc/73/74/72/1367737472.db2.gz XUABLEUPJQFKPH-CALCHBBNSA-N 1 2 342.487 3.273 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C[C@H]1C ZINC001110519873 1367799313 /nfs/dbraw/zinc/79/93/13/1367799313.db2.gz FORRZVAXKDEXKQ-RHSMWYFYSA-N 1 2 328.460 3.345 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1Cl ZINC001110534008 1367813851 /nfs/dbraw/zinc/81/38/51/1367813851.db2.gz OQYQMRBQRPNRPC-NXHRZFHOSA-N 1 2 348.849 3.360 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1Cl ZINC001110534008 1367813855 /nfs/dbraw/zinc/81/38/55/1367813855.db2.gz OQYQMRBQRPNRPC-NXHRZFHOSA-N 1 2 348.849 3.360 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001192577147 1367822406 /nfs/dbraw/zinc/82/24/06/1367822406.db2.gz CPJCZZGZHOWXPY-INIZCTEOSA-N 1 2 331.460 3.187 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001192577147 1367822413 /nfs/dbraw/zinc/82/24/13/1367822413.db2.gz CPJCZZGZHOWXPY-INIZCTEOSA-N 1 2 331.460 3.187 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC001192578807 1367822520 /nfs/dbraw/zinc/82/25/20/1367822520.db2.gz TYUTXTSCVFHISP-OAHLLOKOSA-N 1 2 345.487 3.188 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC001192578807 1367822526 /nfs/dbraw/zinc/82/25/26/1367822526.db2.gz TYUTXTSCVFHISP-OAHLLOKOSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnc(Cl)c1 ZINC001110607169 1367870195 /nfs/dbraw/zinc/87/01/95/1367870195.db2.gz HLIPGEJHKSWYCH-OAGGEKHMSA-N 1 2 333.863 3.313 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnc(Cl)c1 ZINC001110607169 1367870198 /nfs/dbraw/zinc/87/01/98/1367870198.db2.gz HLIPGEJHKSWYCH-OAGGEKHMSA-N 1 2 333.863 3.313 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@]2(CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001110699162 1367937110 /nfs/dbraw/zinc/93/71/10/1367937110.db2.gz ZSWXPHMIBIEDLX-HXUWFJFHSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@]1(C)CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001110789813 1367989055 /nfs/dbraw/zinc/98/90/55/1367989055.db2.gz KGEMFNYJCOKFIF-LJQANCHMSA-N 1 2 330.476 3.089 20 30 EGEDLO C#CCCCCCC(=O)N[C@]1(C)CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001110802692 1368000591 /nfs/dbraw/zinc/00/05/91/1368000591.db2.gz SWNNBNSANPBNGA-HXUWFJFHSA-N 1 2 342.487 3.071 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC001110957379 1368123356 /nfs/dbraw/zinc/12/33/56/1368123356.db2.gz PFLQXTUTZAGBGT-OALUTQOASA-N 1 2 330.476 3.110 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110989751 1368137068 /nfs/dbraw/zinc/13/70/68/1368137068.db2.gz VEQAUHIXFQLLRG-WERVVEIQSA-N 1 2 337.467 3.382 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110989751 1368137073 /nfs/dbraw/zinc/13/70/73/1368137073.db2.gz VEQAUHIXFQLLRG-WERVVEIQSA-N 1 2 337.467 3.382 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001111072838 1368152357 /nfs/dbraw/zinc/15/23/57/1368152357.db2.gz WALLTCDOWZMHGH-ZACQAIPSSA-N 1 2 331.435 3.045 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1 ZINC001111072838 1368152362 /nfs/dbraw/zinc/15/23/62/1368152362.db2.gz WALLTCDOWZMHGH-ZACQAIPSSA-N 1 2 331.435 3.045 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([C@@H](C)Nc3cc[nH+]c(C)n3)C2)CCC1 ZINC001111233061 1368209398 /nfs/dbraw/zinc/20/93/98/1368209398.db2.gz OSKUNOVSDAZFGH-GDBMZVCRSA-N 1 2 328.460 3.180 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](OC)C1CCCCC1)C2 ZINC001111527824 1368326560 /nfs/dbraw/zinc/32/65/60/1368326560.db2.gz LXODZCBSKJIGOI-NCOADZHNSA-N 1 2 340.895 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](OC)C1CCCCC1)C2 ZINC001111527824 1368326564 /nfs/dbraw/zinc/32/65/64/1368326564.db2.gz LXODZCBSKJIGOI-NCOADZHNSA-N 1 2 340.895 3.056 20 30 EGEDLO Cn1c[nH+]cc1-c1cccc(C(=O)N[C@@H]2CCc3c2cccc3C#N)c1 ZINC001194917415 1368347891 /nfs/dbraw/zinc/34/78/91/1368347891.db2.gz MOKLMUBDJDAVAW-LJQANCHMSA-N 1 2 342.402 3.376 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001111614991 1368375800 /nfs/dbraw/zinc/37/58/00/1368375800.db2.gz XRZMYIJHTSQHMW-MRXNPFEDSA-N 1 2 328.460 3.204 20 30 EGEDLO CC(C)[C@@H](C)CC(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001195200988 1368399589 /nfs/dbraw/zinc/39/95/89/1368399589.db2.gz RFDNWIGGRZSMEK-INIZCTEOSA-N 1 2 345.462 3.414 20 30 EGEDLO CC(C)[C@@H](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001195200988 1368399594 /nfs/dbraw/zinc/39/95/94/1368399594.db2.gz RFDNWIGGRZSMEK-INIZCTEOSA-N 1 2 345.462 3.414 20 30 EGEDLO C=CCCC(=O)N1CCC[N@@H+](Cc2c(Cl)cccc2OC)CC1 ZINC001195224975 1368404124 /nfs/dbraw/zinc/40/41/24/1368404124.db2.gz AHFPBRDGAFKONE-UHFFFAOYSA-N 1 2 336.863 3.349 20 30 EGEDLO C=CCCC(=O)N1CCC[N@H+](Cc2c(Cl)cccc2OC)CC1 ZINC001195224975 1368404126 /nfs/dbraw/zinc/40/41/26/1368404126.db2.gz AHFPBRDGAFKONE-UHFFFAOYSA-N 1 2 336.863 3.349 20 30 EGEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)c1nc(C(C)C)no1)C2 ZINC001111648934 1368411003 /nfs/dbraw/zinc/41/10/03/1368411003.db2.gz VWANEKNSMQPFRQ-DOXZYTNZSA-N 1 2 346.475 3.191 20 30 EGEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)c1nc(C(C)C)no1)C2 ZINC001111648934 1368411004 /nfs/dbraw/zinc/41/10/04/1368411004.db2.gz VWANEKNSMQPFRQ-DOXZYTNZSA-N 1 2 346.475 3.191 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@]12CCC[C@H]1C[N@H+](C/C(Cl)=C/Cl)C2 ZINC001111741541 1368439217 /nfs/dbraw/zinc/43/92/17/1368439217.db2.gz DIFIDSRDTZNYRU-VGRKNPAPSA-N 1 2 343.298 3.326 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@]12CCC[C@H]1C[N@@H+](C/C(Cl)=C/Cl)C2 ZINC001111741541 1368439221 /nfs/dbraw/zinc/43/92/21/1368439221.db2.gz DIFIDSRDTZNYRU-VGRKNPAPSA-N 1 2 343.298 3.326 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@@H+](Cc2cccc(Cl)c2F)CC1 ZINC001195645454 1368464407 /nfs/dbraw/zinc/46/44/07/1368464407.db2.gz SLWZAXWLMKNZNA-UHFFFAOYSA-N 1 2 336.838 3.317 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@H+](Cc2cccc(Cl)c2F)CC1 ZINC001195645454 1368464420 /nfs/dbraw/zinc/46/44/20/1368464420.db2.gz SLWZAXWLMKNZNA-UHFFFAOYSA-N 1 2 336.838 3.317 20 30 EGEDLO CCCC[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001195717940 1368477485 /nfs/dbraw/zinc/47/74/85/1368477485.db2.gz SZOBEOJZAIWUSI-OAHLLOKOSA-N 1 2 333.501 3.480 20 30 EGEDLO CCCC[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001195717940 1368477488 /nfs/dbraw/zinc/47/74/88/1368477488.db2.gz SZOBEOJZAIWUSI-OAHLLOKOSA-N 1 2 333.501 3.480 20 30 EGEDLO COc1ccc(C[N@@H+]2CCCN(C(=O)C#CC(C)C)CC2)cc1Cl ZINC001195775184 1368487573 /nfs/dbraw/zinc/48/75/73/1368487573.db2.gz PVEYIGBYLHMNAL-UHFFFAOYSA-N 1 2 348.874 3.042 20 30 EGEDLO COc1ccc(C[N@H+]2CCCN(C(=O)C#CC(C)C)CC2)cc1Cl ZINC001195775184 1368487574 /nfs/dbraw/zinc/48/75/74/1368487574.db2.gz PVEYIGBYLHMNAL-UHFFFAOYSA-N 1 2 348.874 3.042 20 30 EGEDLO CCCCCCC[N@@H+]1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001195907011 1368514522 /nfs/dbraw/zinc/51/45/22/1368514522.db2.gz JLTZVHJEKFCFHJ-ZDUSSCGKSA-N 1 2 326.378 3.392 20 30 EGEDLO CCCCCCC[N@H+]1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001195907011 1368514530 /nfs/dbraw/zinc/51/45/30/1368514530.db2.gz JLTZVHJEKFCFHJ-ZDUSSCGKSA-N 1 2 326.378 3.392 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001111974155 1368583509 /nfs/dbraw/zinc/58/35/09/1368583509.db2.gz LXQQCGKGNLNSLZ-MRXNPFEDSA-N 1 2 328.460 3.104 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001112004901 1368608415 /nfs/dbraw/zinc/60/84/15/1368608415.db2.gz FBGLNXFNCMCFSU-QGZVFWFLSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccncc2Cl)CC1 ZINC001196853245 1368699399 /nfs/dbraw/zinc/69/93/99/1368699399.db2.gz IYMVBPQZIHLUEG-HUUCEWRRSA-N 1 2 335.879 3.228 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccncc2Cl)CC1 ZINC001196853245 1368699403 /nfs/dbraw/zinc/69/94/03/1368699403.db2.gz IYMVBPQZIHLUEG-HUUCEWRRSA-N 1 2 335.879 3.228 20 30 EGEDLO C=CCCC(=O)N1CCC[C@]2(CCN(c3nc(C)[nH+]c(C)c3C)C2)C1 ZINC001112215350 1368723686 /nfs/dbraw/zinc/72/36/86/1368723686.db2.gz CNHXXQDDLNPANR-FQEVSTJZSA-N 1 2 342.487 3.187 20 30 EGEDLO C=CCCCC(=O)N1CCC[N@@H+](Cc2nc3ccc(F)cc3o2)CC1 ZINC001196999961 1368728828 /nfs/dbraw/zinc/72/88/28/1368728828.db2.gz GBFMBVZAYUTBCJ-UHFFFAOYSA-N 1 2 345.418 3.358 20 30 EGEDLO C=CCCCC(=O)N1CCC[N@H+](Cc2nc3ccc(F)cc3o2)CC1 ZINC001196999961 1368728832 /nfs/dbraw/zinc/72/88/32/1368728832.db2.gz GBFMBVZAYUTBCJ-UHFFFAOYSA-N 1 2 345.418 3.358 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001112377863 1368804214 /nfs/dbraw/zinc/80/42/14/1368804214.db2.gz GVTZVLFWVCFNCY-KRWDZBQOSA-N 1 2 342.487 3.275 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001112383133 1368811143 /nfs/dbraw/zinc/81/11/43/1368811143.db2.gz RLSKSWXOKLAXGT-QGZVFWFLSA-N 1 2 344.503 3.479 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C[C@@H]1C ZINC001112433268 1368849068 /nfs/dbraw/zinc/84/90/68/1368849068.db2.gz ILPLVIAPLQMYQA-SUMWQHHRSA-N 1 2 330.476 3.089 20 30 EGEDLO CCCCCCCCCCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001198075284 1368954812 /nfs/dbraw/zinc/95/48/12/1368954812.db2.gz GXIRHNLXWQLRCS-NUKLPVDDSA-N 1 2 344.927 3.431 20 30 EGEDLO CCCCCCCCCCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001198075284 1368954816 /nfs/dbraw/zinc/95/48/16/1368954816.db2.gz GXIRHNLXWQLRCS-NUKLPVDDSA-N 1 2 344.927 3.431 20 30 EGEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001198103242 1368959331 /nfs/dbraw/zinc/95/93/31/1368959331.db2.gz AHUPPEHEHJRVEM-BVPRHBRVSA-N 1 2 330.900 3.041 20 30 EGEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001198103242 1368959329 /nfs/dbraw/zinc/95/93/29/1368959329.db2.gz AHUPPEHEHJRVEM-BVPRHBRVSA-N 1 2 330.900 3.041 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC(CN(CC)c2cc[nH+]c(C)n2)CC1 ZINC001112687010 1368981223 /nfs/dbraw/zinc/98/12/23/1368981223.db2.gz NUTJESZJQTZMNI-CVEARBPZSA-N 1 2 344.503 3.308 20 30 EGEDLO C#CC[C@@H](CC(=O)N1CCC[N@@H+](CC(=C)Cl)CC1)c1ccccc1 ZINC001198395151 1369021915 /nfs/dbraw/zinc/02/19/15/1369021915.db2.gz UKFBMVUVAKHYCL-IBGZPJMESA-N 1 2 344.886 3.470 20 30 EGEDLO C#CC[C@@H](CC(=O)N1CCC[N@H+](CC(=C)Cl)CC1)c1ccccc1 ZINC001198395151 1369021918 /nfs/dbraw/zinc/02/19/18/1369021918.db2.gz UKFBMVUVAKHYCL-IBGZPJMESA-N 1 2 344.886 3.470 20 30 EGEDLO C=C[C@@H](C(=O)NC1CC(CNc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001112842233 1369040539 /nfs/dbraw/zinc/04/05/39/1369040539.db2.gz CYNNTDKAYZHOSH-VMWRSERWSA-N 1 2 336.439 3.062 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)c1ccco1)c1ccccc1OC ZINC001198491910 1369044439 /nfs/dbraw/zinc/04/44/39/1369044439.db2.gz LJVNPFMQUDNVCY-AWEZNQCLSA-N 1 2 334.803 3.101 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[NH+](CCOc2cccc(F)c2)CC1 ZINC001112885565 1369068555 /nfs/dbraw/zinc/06/85/55/1369068555.db2.gz FQVIAZUTDOTYFY-UHFFFAOYSA-N 1 2 346.446 3.117 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1)OCC ZINC001112909786 1369086007 /nfs/dbraw/zinc/08/60/07/1369086007.db2.gz ZCVAJTBFJFXWHN-VQIMIIECSA-N 1 2 348.462 3.402 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@H]([NH2+]CCF)c1ccccc1OC ZINC001198740870 1369103190 /nfs/dbraw/zinc/10/31/90/1369103190.db2.gz HIHGFIAURWSSQH-KRWDZBQOSA-N 1 2 334.435 3.180 20 30 EGEDLO Cc1nc(N[C@@H](C)[C@@H](C)NC(=O)C#CC(C)(C)C)c2c([nH+]1)CCCC2 ZINC001113004457 1369131839 /nfs/dbraw/zinc/13/18/39/1369131839.db2.gz OSRJFQARWDTUSH-KGLIPLIRSA-N 1 2 342.487 3.018 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[NH+](CCOc2cc(C)ccc2C)CC1 ZINC001113239708 1369286757 /nfs/dbraw/zinc/28/67/57/1369286757.db2.gz OBHXJZMTZOBBTD-LJQANCHMSA-N 1 2 344.499 3.429 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](Cc2cccc(COC)c2)CC1 ZINC001113242063 1369287268 /nfs/dbraw/zinc/28/72/68/1369287268.db2.gz XRPVUISTNFTEBP-KRWDZBQOSA-N 1 2 330.472 3.080 20 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/nfs/dbraw/zinc/52/40/76/1369524076.db2.gz DSPLWMXZIBSUHJ-UHFFFAOYSA-N 1 2 348.443 3.001 20 30 EGEDLO C=CCC1(C(=O)NC[C@H](C)N(C)c2cc[nH+]c(C)n2)CCCCC1 ZINC001113627675 1369529189 /nfs/dbraw/zinc/52/91/89/1369529189.db2.gz TYDVLHSOSUBLPD-HNNXBMFYSA-N 1 2 330.476 3.253 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)CC[C@@H]1C ZINC001114052203 1369705022 /nfs/dbraw/zinc/70/50/22/1369705022.db2.gz IOKHRNUYANVRKI-WMLDXEAASA-N 1 2 342.487 3.350 20 30 EGEDLO C#CCC1(C(=O)N(C)CC[C@H](Nc2cc[nH+]c(C)n2)C(C)C)CCC1 ZINC001114105036 1369736843 /nfs/dbraw/zinc/73/68/43/1369736843.db2.gz UHHZVJCMGJRKNZ-KRWDZBQOSA-N 1 2 342.487 3.264 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)CC[C@H](Nc2cc[nH+]c(C)n2)C(C)C)C1 ZINC001114118560 1369746720 /nfs/dbraw/zinc/74/67/20/1369746720.db2.gz ARQXGIRCIXRQDU-INIZCTEOSA-N 1 2 330.476 3.426 20 30 EGEDLO C#CCC1(C(=O)N[C@@H](CCCC)CNc2cc[nH+]c(C)n2)CCC1 ZINC001114286131 1369852057 /nfs/dbraw/zinc/85/20/57/1369852057.db2.gz GQRIGFVNEPNJKN-INIZCTEOSA-N 1 2 328.460 3.066 20 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C=CC(C)(C)C(=O)N[C@H]1C[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001114810630 1370092724 /nfs/dbraw/zinc/09/27/24/1370092724.db2.gz BYUQATQXRMETEW-CTYIDZIISA-N 1 2 328.460 3.181 20 30 EGEDLO C=CCCOCCCCC(=O)N[C@@H](C)CCCNc1cc[nH+]c(C)n1 ZINC001115001989 1370203295 /nfs/dbraw/zinc/20/32/95/1370203295.db2.gz KWQCNOWLRSUVGR-INIZCTEOSA-N 1 2 348.491 3.245 20 30 EGEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2Cc3ccccc3C3(CCC3)C2)cc1 ZINC001325874215 1388059268 /nfs/dbraw/zinc/05/92/68/1388059268.db2.gz LBQXOMVWZCTWLB-IBGZPJMESA-N 1 2 331.419 3.022 20 30 EGEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2Cc3ccccc3C3(CCC3)C2)cc1 ZINC001325874215 1388059272 /nfs/dbraw/zinc/05/92/72/1388059272.db2.gz LBQXOMVWZCTWLB-IBGZPJMESA-N 1 2 331.419 3.022 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)CC(C)C ZINC001115096506 1370277003 /nfs/dbraw/zinc/27/70/03/1370277003.db2.gz RVOZQQIJZFRWNK-WDNDVIMCSA-N 1 2 343.309 3.014 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)CC(C)C ZINC001115096506 1370277009 /nfs/dbraw/zinc/27/70/09/1370277009.db2.gz RVOZQQIJZFRWNK-WDNDVIMCSA-N 1 2 343.309 3.014 20 30 EGEDLO CCOC(=O)c1cc2c(s1)CC[N@H+](Cc1ccc(C#N)cc1)C2 ZINC001203905347 1370310289 /nfs/dbraw/zinc/31/02/89/1370310289.db2.gz LBPCLWPLEMGADW-UHFFFAOYSA-N 1 2 326.421 3.355 20 30 EGEDLO CCOC(=O)c1cc2c(s1)CC[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC001203905347 1370310296 /nfs/dbraw/zinc/31/02/96/1370310296.db2.gz LBPCLWPLEMGADW-UHFFFAOYSA-N 1 2 326.421 3.355 20 30 EGEDLO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+]2Cc1ccccc1C#N ZINC001204367891 1370455587 /nfs/dbraw/zinc/45/55/87/1370455587.db2.gz GKLALZYHJMPEFE-UHFFFAOYSA-N 1 2 327.428 3.144 20 30 EGEDLO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+]2Cc1ccccc1C#N ZINC001204367891 1370455591 /nfs/dbraw/zinc/45/55/91/1370455591.db2.gz GKLALZYHJMPEFE-UHFFFAOYSA-N 1 2 327.428 3.144 20 30 EGEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2nc(C)cs2)CC1 ZINC001204379901 1370460510 /nfs/dbraw/zinc/46/05/10/1370460510.db2.gz WGUZBAFCHQDFRA-UHFFFAOYSA-N 1 2 343.452 3.375 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001187232731 1388077792 /nfs/dbraw/zinc/07/77/92/1388077792.db2.gz HGXBGFDDPBCZJS-PKOBYXMFSA-N 1 2 342.870 3.190 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001187232731 1388077795 /nfs/dbraw/zinc/07/77/95/1388077795.db2.gz HGXBGFDDPBCZJS-PKOBYXMFSA-N 1 2 342.870 3.190 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N(C)C[C@@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001115642474 1370633608 /nfs/dbraw/zinc/63/36/08/1370633608.db2.gz HATISRXMOBGXPN-CVEARBPZSA-N 1 2 348.491 3.148 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)C(C)C)[C@@H]2C1 ZINC001187273404 1388085451 /nfs/dbraw/zinc/08/54/51/1388085451.db2.gz XRYXIPKVIADEAN-VHDGCEQUSA-N 1 2 343.309 3.110 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)C(C)C)[C@@H]2C1 ZINC001187273404 1388085458 /nfs/dbraw/zinc/08/54/58/1388085458.db2.gz XRYXIPKVIADEAN-VHDGCEQUSA-N 1 2 343.309 3.110 20 30 EGEDLO Cc1cccn2cc(CCNC(=O)Nc3cccc(CC#N)c3)[nH+]c12 ZINC001205390027 1370740830 /nfs/dbraw/zinc/74/08/30/1370740830.db2.gz HKSOTDVTFMXUJZ-UHFFFAOYSA-N 1 2 333.395 3.073 20 30 EGEDLO CCCc1c(NC(=O)[C@H](C)n2cc[nH+]c2)cnn1-c1cccc(C#N)c1 ZINC001326091077 1388111415 /nfs/dbraw/zinc/11/14/15/1388111415.db2.gz YXUULXQMOKHORE-AWEZNQCLSA-N 1 2 348.410 3.093 20 30 EGEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1cccc(CC#N)c1F ZINC001206510676 1371077962 /nfs/dbraw/zinc/07/79/62/1371077962.db2.gz ULPRFELTYHRYBQ-UHFFFAOYSA-N 1 2 340.398 3.400 20 30 EGEDLO N#Cc1cc(Nc2cc[nH+]c3cc(Br)ccc23)ccn1 ZINC001206600926 1371105003 /nfs/dbraw/zinc/10/50/03/1371105003.db2.gz UQWRFKICNNHMLZ-UHFFFAOYSA-N 1 2 325.169 3.429 20 30 EGEDLO N#CC1(c2ccnc(-c3ccc(C[NH+]4CCOCC4)cc3F)c2)CC1 ZINC001206703259 1371139095 /nfs/dbraw/zinc/13/90/95/1371139095.db2.gz JKVJIBZRMIQHET-UHFFFAOYSA-N 1 2 337.398 3.275 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C=C(CC)CC)C1 ZINC001206873161 1371199822 /nfs/dbraw/zinc/19/98/22/1371199822.db2.gz JELKWTNHHNGSML-BXUZGUMPSA-N 1 2 329.282 3.078 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C=C(CC)CC)C1 ZINC001206873161 1371199824 /nfs/dbraw/zinc/19/98/24/1371199824.db2.gz JELKWTNHHNGSML-BXUZGUMPSA-N 1 2 329.282 3.078 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nnc(CC(C)C)o2)C[C@H]1C ZINC001207216404 1371331803 /nfs/dbraw/zinc/33/18/03/1371331803.db2.gz ZODPUICWTZFOKB-BZUAXINKSA-N 1 2 348.491 3.122 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nnc(CC(C)C)o2)C[C@H]1C ZINC001207216404 1371331805 /nfs/dbraw/zinc/33/18/05/1371331805.db2.gz ZODPUICWTZFOKB-BZUAXINKSA-N 1 2 348.491 3.122 20 30 EGEDLO CC[C@@H](CO)Nc1cc(N[C@@H](CCC#N)c2ccccc2)nc[nH+]1 ZINC001120033695 1371463916 /nfs/dbraw/zinc/46/39/16/1371463916.db2.gz QXEWUPBZPODQCJ-HOTGVXAUSA-N 1 2 325.416 3.116 20 30 EGEDLO CC[C@@H](CO)Nc1cc(N[C@@H](CCC#N)c2ccccc2)[nH+]cn1 ZINC001120033695 1371463919 /nfs/dbraw/zinc/46/39/19/1371463919.db2.gz QXEWUPBZPODQCJ-HOTGVXAUSA-N 1 2 325.416 3.116 20 30 EGEDLO C#Cc1ccc(C(=O)N(C)C[C@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC001120392165 1371559254 /nfs/dbraw/zinc/55/92/54/1371559254.db2.gz FOHVKPCVMXMCMS-HNNXBMFYSA-N 1 2 348.450 3.216 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2nc(C3CCC3)no2)C1 ZINC001208240186 1371675267 /nfs/dbraw/zinc/67/52/67/1371675267.db2.gz KFWVLNRROVVTGX-OAHLLOKOSA-N 1 2 346.475 3.020 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2nc(C3CC3)no2)C1 ZINC001208244526 1371677435 /nfs/dbraw/zinc/67/74/35/1371677435.db2.gz AXCBEMVDAKOEOB-UKRRQHHQSA-N 1 2 346.475 3.191 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)on2)C[C@H]1C ZINC001208452516 1371771714 /nfs/dbraw/zinc/77/17/14/1371771714.db2.gz OWONMVXLTKINNW-GDBMZVCRSA-N 1 2 333.476 3.265 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)on2)C[C@H]1C ZINC001208452516 1371771715 /nfs/dbraw/zinc/77/17/15/1371771715.db2.gz OWONMVXLTKINNW-GDBMZVCRSA-N 1 2 333.476 3.265 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001208509252 1371793807 /nfs/dbraw/zinc/79/38/07/1371793807.db2.gz XPIFUBYSQKMNOZ-KFNAQCHYSA-N 1 2 341.908 3.335 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001208509252 1371793809 /nfs/dbraw/zinc/79/38/09/1371793809.db2.gz XPIFUBYSQKMNOZ-KFNAQCHYSA-N 1 2 341.908 3.335 20 30 EGEDLO C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)C(F)C(F)(F)F)C2)C1 ZINC001121144926 1371866257 /nfs/dbraw/zinc/86/62/57/1371866257.db2.gz QBWBVNNMJUNWHL-GFUJMYBQSA-N 1 2 336.373 3.259 20 30 EGEDLO C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001121144926 1371866260 /nfs/dbraw/zinc/86/62/60/1371866260.db2.gz QBWBVNNMJUNWHL-GFUJMYBQSA-N 1 2 336.373 3.259 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001208964040 1371963754 /nfs/dbraw/zinc/96/37/54/1371963754.db2.gz QWDQZJAGRUQHLB-DGCLKSJQSA-N 1 2 341.908 3.335 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001208964040 1371963759 /nfs/dbraw/zinc/96/37/59/1371963759.db2.gz QWDQZJAGRUQHLB-DGCLKSJQSA-N 1 2 341.908 3.335 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC001209185803 1372030574 /nfs/dbraw/zinc/03/05/74/1372030574.db2.gz XMQACUGLCWWAOR-CABCVRRESA-N 1 2 348.491 3.050 20 30 EGEDLO C=CCN(c1nnc([C@@H]2CCC[N@H+]2C)n1Cc1ccccc1)C1CC1 ZINC001122156519 1372189861 /nfs/dbraw/zinc/18/98/61/1372189861.db2.gz YCUJIOUBBIEUMJ-SFHVURJKSA-N 1 2 337.471 3.248 20 30 EGEDLO C=CCN(c1nnc([C@@H]2CCC[N@@H+]2C)n1Cc1ccccc1)C1CC1 ZINC001122156519 1372189864 /nfs/dbraw/zinc/18/98/64/1372189864.db2.gz YCUJIOUBBIEUMJ-SFHVURJKSA-N 1 2 337.471 3.248 20 30 EGEDLO CCC[C@@H](CC)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001209800218 1372202158 /nfs/dbraw/zinc/20/21/58/1372202158.db2.gz RRSDAYHBJHRTMX-SPYBWZPUSA-N 1 2 345.462 3.460 20 30 EGEDLO CCC[C@@H](CC)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001209800218 1372202160 /nfs/dbraw/zinc/20/21/60/1372202160.db2.gz RRSDAYHBJHRTMX-SPYBWZPUSA-N 1 2 345.462 3.460 20 30 EGEDLO N#CCc1cc(Nc2ccccc2C[NH+]2CCOCC2)ccc1F ZINC001209932556 1372235688 /nfs/dbraw/zinc/23/56/88/1372235688.db2.gz BXDBNPCRIIGKTA-UHFFFAOYSA-N 1 2 325.387 3.468 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@H](C2CC2)C1 ZINC001122536754 1372268172 /nfs/dbraw/zinc/26/81/72/1372268172.db2.gz MCZQRSOZYOZQJV-DLBZAZTESA-N 1 2 329.492 3.247 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H](C2CC2)C1 ZINC001122536754 1372268175 /nfs/dbraw/zinc/26/81/75/1372268175.db2.gz MCZQRSOZYOZQJV-DLBZAZTESA-N 1 2 329.492 3.247 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001122622845 1372285516 /nfs/dbraw/zinc/28/55/16/1372285516.db2.gz KCSKXVBYMDOJQT-HOTGVXAUSA-N 1 2 347.507 3.015 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001122622845 1372285517 /nfs/dbraw/zinc/28/55/17/1372285517.db2.gz KCSKXVBYMDOJQT-HOTGVXAUSA-N 1 2 347.507 3.015 20 30 EGEDLO C#CCCCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)[C@@H]1C ZINC001122977856 1372353025 /nfs/dbraw/zinc/35/30/25/1372353025.db2.gz OIOGMTGRHHLBMB-JKSUJKDBSA-N 1 2 328.460 3.113 20 30 EGEDLO CC(=O)NCCn1c2ccccc2[nH+]c1Nc1ccc(C)cc1C#N ZINC001210564471 1372380467 /nfs/dbraw/zinc/38/04/67/1372380467.db2.gz GYXWKODIDSRUIE-UHFFFAOYSA-N 1 2 333.395 3.096 20 30 EGEDLO C=CCCC(=O)N1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C[C@H]1C ZINC001123179526 1372393216 /nfs/dbraw/zinc/39/32/16/1372393216.db2.gz LKZDLAMZKRECIM-UKRRQHHQSA-N 1 2 328.460 3.031 20 30 EGEDLO C#CCCCCC(=O)N1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C[C@@H]1C ZINC001123205357 1372397250 /nfs/dbraw/zinc/39/72/50/1372397250.db2.gz ZQPVDIZCGCFMHT-DOTOQJQBSA-N 1 2 340.471 3.257 20 30 EGEDLO C#CCCCCC(=O)N1C[C@@H]2CCC[C@H](Nc3cc[nH+]c(C)n3)[C@@H]2C1 ZINC001123487105 1372487101 /nfs/dbraw/zinc/48/71/01/1372487101.db2.gz MTISXLCLSBOARA-KSZLIROESA-N 1 2 340.471 3.018 20 30 EGEDLO C=CCCCC(=O)N1C[C@@H]2CCC[C@@H](Nc3cc[nH+]c(C)n3)[C@@H]2C1 ZINC001123512925 1372493171 /nfs/dbraw/zinc/49/31/71/1372493171.db2.gz HVCMWBDRSJFSQV-GVDBMIGSSA-N 1 2 328.460 3.180 20 30 EGEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2nccs2)C[C@H]1C)c1ccccc1 ZINC001211241617 1372509873 /nfs/dbraw/zinc/50/98/73/1372509873.db2.gz NPJYZFAQGNPTJH-DJIMGWMZSA-N 1 2 341.480 3.049 20 30 EGEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2nccs2)C[C@H]1C)c1ccccc1 ZINC001211241617 1372509881 /nfs/dbraw/zinc/50/98/81/1372509881.db2.gz NPJYZFAQGNPTJH-DJIMGWMZSA-N 1 2 341.480 3.049 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ncccn3)C[C@H]2C)CCCC1 ZINC001211495841 1372568704 /nfs/dbraw/zinc/56/87/04/1372568704.db2.gz YWBWHBPRKNFJCN-IXDOHACOSA-N 1 2 342.487 3.111 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3ncccn3)C[C@H]2C)CCCC1 ZINC001211495841 1372568706 /nfs/dbraw/zinc/56/87/06/1372568706.db2.gz YWBWHBPRKNFJCN-IXDOHACOSA-N 1 2 342.487 3.111 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001123776875 1372585256 /nfs/dbraw/zinc/58/52/56/1372585256.db2.gz HHKFMDDIVDVORT-IAGOWNOFSA-N 1 2 342.487 3.409 20 30 EGEDLO N#Cc1cc(F)c(Nc2ccc(C[NH+]3CC(O)C3)cc2)c(Cl)c1 ZINC001212671587 1372750084 /nfs/dbraw/zinc/75/00/84/1372750084.db2.gz PIAZLFQZGVLOMJ-UHFFFAOYSA-N 1 2 331.778 3.271 20 30 EGEDLO C=CCCC(=O)N(CCN(C)c1nc(C)[nH+]c2c1CCCC2)C(C)C ZINC001125421789 1372784854 /nfs/dbraw/zinc/78/48/54/1372784854.db2.gz RDZMMVOIFZYWRW-UHFFFAOYSA-N 1 2 344.503 3.303 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([NH2+][C@@H](C)c3nc(C)no3)C2)CCCCC1 ZINC001188045847 1388227954 /nfs/dbraw/zinc/22/79/54/1388227954.db2.gz BRIVHGMQQCBUCX-GOEBONIOSA-N 1 2 346.475 3.156 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3nnc(C)o3)C2)CCCCC1 ZINC001188052832 1388229411 /nfs/dbraw/zinc/22/94/11/1388229411.db2.gz JLOREDIIGBNRQT-GDBMZVCRSA-N 1 2 346.475 3.156 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([NH2+][C@@H](C)c3csnn3)C2)CCCCC1 ZINC001188053569 1388230120 /nfs/dbraw/zinc/23/01/20/1388230120.db2.gz USXOHQNRRVDNQK-LSDHHAIUSA-N 1 2 348.516 3.316 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H](C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001126667567 1372994441 /nfs/dbraw/zinc/99/44/41/1372994441.db2.gz FKJFSKOEELMVQD-HUUCEWRRSA-N 1 2 330.476 3.108 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)CC3CC3)c2C1 ZINC001128191739 1373232750 /nfs/dbraw/zinc/23/27/50/1373232750.db2.gz IWJQYFCURABTPH-UHFFFAOYSA-N 1 2 332.492 3.085 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)CC3CC3)c2C1 ZINC001128191739 1373232751 /nfs/dbraw/zinc/23/27/51/1373232751.db2.gz IWJQYFCURABTPH-UHFFFAOYSA-N 1 2 332.492 3.085 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)C3CC(C)C3)c2C1 ZINC001128300506 1373248647 /nfs/dbraw/zinc/24/86/47/1373248647.db2.gz JDCJHZCRGIBHJE-UHFFFAOYSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)C3CC(C)C3)c2C1 ZINC001128300506 1373248649 /nfs/dbraw/zinc/24/86/49/1373248649.db2.gz JDCJHZCRGIBHJE-UHFFFAOYSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CC(C)(C)CC(=O)NCc1cnn2c1C[N@H+](CC/C=C\CC)CC2 ZINC001128362083 1373256727 /nfs/dbraw/zinc/25/67/27/1373256727.db2.gz ALZPHVHCTUMDCR-FPLPWBNLSA-N 1 2 344.503 3.274 20 30 EGEDLO C=CC(C)(C)CC(=O)NCc1cnn2c1C[N@@H+](CC/C=C\CC)CC2 ZINC001128362083 1373256730 /nfs/dbraw/zinc/25/67/30/1373256730.db2.gz ALZPHVHCTUMDCR-FPLPWBNLSA-N 1 2 344.503 3.274 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)CCCC[C@@H](C)CC)c2C1 ZINC001128371694 1373258852 /nfs/dbraw/zinc/25/88/52/1373258852.db2.gz CDVCJEFXJFBIND-KRWDZBQOSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)CCCC[C@@H](C)CC)c2C1 ZINC001128371694 1373258855 /nfs/dbraw/zinc/25/88/55/1373258855.db2.gz CDVCJEFXJFBIND-KRWDZBQOSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C3(CC(C)C)CCC3)c2C1 ZINC001128403942 1373262955 /nfs/dbraw/zinc/26/29/55/1373262955.db2.gz OYLUOMRHHNFPPW-UHFFFAOYSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C3(CC(C)C)CCC3)c2C1 ZINC001128403942 1373262956 /nfs/dbraw/zinc/26/29/56/1373262956.db2.gz OYLUOMRHHNFPPW-UHFFFAOYSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CC(C)(C)C(=O)NCc1cnn2c1C[N@H+](CCCC1CCC1)CC2 ZINC001128452778 1373270106 /nfs/dbraw/zinc/27/01/06/1373270106.db2.gz AYHAXZBPXDRXAW-UHFFFAOYSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CC(C)(C)C(=O)NCc1cnn2c1C[N@@H+](CCCC1CCC1)CC2 ZINC001128452778 1373270109 /nfs/dbraw/zinc/27/01/09/1373270109.db2.gz AYHAXZBPXDRXAW-UHFFFAOYSA-N 1 2 344.503 3.107 20 30 EGEDLO C=C1CC[NH2+]C[C@H]1Oc1cc(O)c(CC=C(C)C)c2occc(=O)c12 ZINC001218210972 1373579023 /nfs/dbraw/zinc/57/90/23/1373579023.db2.gz NPYIONUPEXATJP-GOSISDBHSA-N 1 2 341.407 3.304 20 30 EGEDLO COc1cc(C)c(C(=O)/C=C\c2ccc[nH+]c2N(C)C)cc1OC ZINC001326689255 1388283474 /nfs/dbraw/zinc/28/34/74/1388283474.db2.gz FITFTCNYSNJQEX-HJWRWDBZSA-N 1 2 326.396 3.369 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([NH2+][C@@H](C)c3nnc(CC)o3)C2)CCCC1 ZINC001188490660 1388318525 /nfs/dbraw/zinc/31/85/25/1388318525.db2.gz WAQRPHHSFZKXGJ-LSDHHAIUSA-N 1 2 346.475 3.020 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC001132015880 1375099829 /nfs/dbraw/zinc/09/98/29/1375099829.db2.gz ARDXHJRDHZTFAA-RDTXWAMCSA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC001132015880 1375099837 /nfs/dbraw/zinc/09/98/37/1375099837.db2.gz ARDXHJRDHZTFAA-RDTXWAMCSA-N 1 2 334.410 3.093 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1cccc(Cl)c1F ZINC001132046235 1375115804 /nfs/dbraw/zinc/11/58/04/1375115804.db2.gz NJHYYZDFCFXWAH-BBRMVZONSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1cccc(Cl)c1F ZINC001132046235 1375115806 /nfs/dbraw/zinc/11/58/06/1375115806.db2.gz NJHYYZDFCFXWAH-BBRMVZONSA-N 1 2 348.849 3.362 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ncc(CC)o2)C1 ZINC001132057515 1375124467 /nfs/dbraw/zinc/12/44/67/1375124467.db2.gz QFDHYRRLRFOUDQ-RDJZCZTQSA-N 1 2 345.487 3.475 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ncc(CC)o2)C1 ZINC001132057515 1375124469 /nfs/dbraw/zinc/12/44/69/1375124469.db2.gz QFDHYRRLRFOUDQ-RDJZCZTQSA-N 1 2 345.487 3.475 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2nccs2)C1 ZINC001132079049 1375135037 /nfs/dbraw/zinc/13/50/37/1375135037.db2.gz SEXWEKZOPALKRF-AAEUAGOBSA-N 1 2 341.908 3.391 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2nccs2)C1 ZINC001132079049 1375135039 /nfs/dbraw/zinc/13/50/39/1375135039.db2.gz SEXWEKZOPALKRF-AAEUAGOBSA-N 1 2 341.908 3.391 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(F)cn2)C1 ZINC001132218561 1375217547 /nfs/dbraw/zinc/21/75/47/1375217547.db2.gz RUMNWZXROBHNLG-PBHICJAKSA-N 1 2 333.451 3.292 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(F)cn2)C1 ZINC001132218561 1375217551 /nfs/dbraw/zinc/21/75/51/1375217551.db2.gz RUMNWZXROBHNLG-PBHICJAKSA-N 1 2 333.451 3.292 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001132228017 1375222680 /nfs/dbraw/zinc/22/26/80/1375222680.db2.gz KRFIPGQHOMGOIM-HZPDHXFCSA-N 1 2 332.492 3.145 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001132228017 1375222685 /nfs/dbraw/zinc/22/26/85/1375222685.db2.gz KRFIPGQHOMGOIM-HZPDHXFCSA-N 1 2 332.492 3.145 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2nc(C)sc2C)C1 ZINC001132235010 1375229304 /nfs/dbraw/zinc/22/93/04/1375229304.db2.gz HUKGGMURYIWFSJ-RHSMWYFYSA-N 1 2 347.528 3.423 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)sc2C)C1 ZINC001132235010 1375229305 /nfs/dbraw/zinc/22/93/05/1375229305.db2.gz HUKGGMURYIWFSJ-RHSMWYFYSA-N 1 2 347.528 3.423 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ncoc2C(C)C)C1 ZINC001132234828 1375229856 /nfs/dbraw/zinc/22/98/56/1375229856.db2.gz FLMGRTQWMOTEPV-IAGOWNOFSA-N 1 2 345.487 3.461 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001132234828 1375229858 /nfs/dbraw/zinc/22/98/58/1375229858.db2.gz FLMGRTQWMOTEPV-IAGOWNOFSA-N 1 2 345.487 3.461 20 30 EGEDLO CC/C=C(\C)C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001226369805 1375247584 /nfs/dbraw/zinc/24/75/84/1375247584.db2.gz QTXAGFCOJKJYOF-LNKIKWGQSA-N 1 2 329.419 3.134 20 30 EGEDLO CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001132274551 1375259859 /nfs/dbraw/zinc/25/98/59/1375259859.db2.gz WMAZIDCQCJQANJ-RHSMWYFYSA-N 1 2 343.446 3.357 20 30 EGEDLO CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001132274551 1375259865 /nfs/dbraw/zinc/25/98/65/1375259865.db2.gz WMAZIDCQCJQANJ-RHSMWYFYSA-N 1 2 343.446 3.357 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3ccc(F)cn3)C2)CCC1 ZINC001132283017 1375265621 /nfs/dbraw/zinc/26/56/21/1375265621.db2.gz PZQHRBAZBJQRCO-MAUKXSAKSA-N 1 2 345.462 3.436 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3ccc(F)cn3)C2)CCC1 ZINC001132283017 1375265626 /nfs/dbraw/zinc/26/56/26/1375265626.db2.gz PZQHRBAZBJQRCO-MAUKXSAKSA-N 1 2 345.462 3.436 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3ccc(F)cn3)C2)CC1 ZINC001132292951 1375273436 /nfs/dbraw/zinc/27/34/36/1375273436.db2.gz WRBWYXFSUVZGEF-CRAIPNDOSA-N 1 2 345.462 3.436 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3ccc(F)cn3)C2)CC1 ZINC001132292951 1375273446 /nfs/dbraw/zinc/27/34/46/1375273446.db2.gz WRBWYXFSUVZGEF-CRAIPNDOSA-N 1 2 345.462 3.436 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCc2csc(C)n2)CC[C@H]1C ZINC001132339530 1375317711 /nfs/dbraw/zinc/31/77/11/1375317711.db2.gz HIJSUWXUMOYUAL-OCCSQVGLSA-N 1 2 341.908 3.106 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCc2csc(C)n2)CC[C@H]1C ZINC001132339530 1375317715 /nfs/dbraw/zinc/31/77/15/1375317715.db2.gz HIJSUWXUMOYUAL-OCCSQVGLSA-N 1 2 341.908 3.106 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCc2scnc2C)CC[C@H]1C ZINC001132392431 1375348050 /nfs/dbraw/zinc/34/80/50/1375348050.db2.gz KGZWCXLJUXTERK-TZMCWYRMSA-N 1 2 341.908 3.106 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCc2scnc2C)CC[C@H]1C ZINC001132392431 1375348052 /nfs/dbraw/zinc/34/80/52/1375348052.db2.gz KGZWCXLJUXTERK-TZMCWYRMSA-N 1 2 341.908 3.106 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2(CCOC)CCCC2)CC[C@H]1C ZINC001132525758 1375441579 /nfs/dbraw/zinc/44/15/79/1375441579.db2.gz VLPSAYDYZSDNRA-CVEARBPZSA-N 1 2 342.911 3.305 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2(CCOC)CCCC2)CC[C@H]1C ZINC001132525758 1375441582 /nfs/dbraw/zinc/44/15/82/1375441582.db2.gz VLPSAYDYZSDNRA-CVEARBPZSA-N 1 2 342.911 3.305 20 30 EGEDLO C=CC(C)(C)C(=O)NC1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC001228622213 1375620428 /nfs/dbraw/zinc/62/04/28/1375620428.db2.gz PWEVDCUELPKXND-UHFFFAOYSA-N 1 2 333.501 3.313 20 30 EGEDLO C=CC(C)(C)C(=O)NC1CC[NH+](Cc2csc(CCC)n2)CC1 ZINC001228631590 1375621849 /nfs/dbraw/zinc/62/18/49/1375621849.db2.gz PXDZRXKXMWGSQB-UHFFFAOYSA-N 1 2 335.517 3.388 20 30 EGEDLO C#CCCCCCC(=O)NC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001228636766 1375623660 /nfs/dbraw/zinc/62/36/60/1375623660.db2.gz BJLJUJIQXRCUAQ-UHFFFAOYSA-N 1 2 343.471 3.216 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001228747878 1375660611 /nfs/dbraw/zinc/66/06/11/1375660611.db2.gz HBCLNJCIJCAULC-LSDHHAIUSA-N 1 2 343.446 3.236 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC1CC[NH+](Cc2ccn(C(C)C)n2)CC1 ZINC001228795393 1375678836 /nfs/dbraw/zinc/67/88/36/1375678836.db2.gz XHJFEZBDKVHNFS-INIZCTEOSA-N 1 2 332.492 3.147 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2cc3c(cc2O)CCC3=O)C1 ZINC001228854849 1375695441 /nfs/dbraw/zinc/69/54/41/1375695441.db2.gz YAWNFKHNHIPZHR-QGZVFWFLSA-N 1 2 348.402 3.046 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2cc3c(cc2O)CCC3=O)C1 ZINC001228854849 1375695446 /nfs/dbraw/zinc/69/54/46/1375695446.db2.gz YAWNFKHNHIPZHR-QGZVFWFLSA-N 1 2 348.402 3.046 20 30 EGEDLO CCCCCC(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001188906108 1388406195 /nfs/dbraw/zinc/40/61/95/1388406195.db2.gz MIDVJIBNXJFRHQ-SFHVURJKSA-N 1 2 331.435 3.310 20 30 EGEDLO CCCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001188906108 1388406197 /nfs/dbraw/zinc/40/61/97/1388406197.db2.gz MIDVJIBNXJFRHQ-SFHVURJKSA-N 1 2 331.435 3.310 20 30 EGEDLO CC[C@@H](C)[C@H](C)C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001229776919 1375892156 /nfs/dbraw/zinc/89/21/56/1375892156.db2.gz YKSPFLKLVISQPX-CABCVRRESA-N 1 2 345.462 3.460 20 30 EGEDLO N#Cc1ccnc(N2CCC(Oc3ccc(-c4[nH]cc[nH+]4)cc3)CC2)c1 ZINC001231084276 1376199610 /nfs/dbraw/zinc/19/96/10/1376199610.db2.gz JIYRFNSAMYGUCP-UHFFFAOYSA-N 1 2 345.406 3.391 20 30 EGEDLO CCC[C@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001231311402 1376226522 /nfs/dbraw/zinc/22/65/22/1376226522.db2.gz IQYBMZQOPMPZOA-YOEHRIQHSA-N 1 2 331.435 3.166 20 30 EGEDLO CCC[C@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001231311402 1376226527 /nfs/dbraw/zinc/22/65/27/1376226527.db2.gz IQYBMZQOPMPZOA-YOEHRIQHSA-N 1 2 331.435 3.166 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC001188999369 1388431627 /nfs/dbraw/zinc/43/16/27/1388431627.db2.gz LPASYGQBNQXOSB-DOTOQJQBSA-N 1 2 347.528 3.485 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC001188999369 1388431632 /nfs/dbraw/zinc/43/16/32/1388431632.db2.gz LPASYGQBNQXOSB-DOTOQJQBSA-N 1 2 347.528 3.485 20 30 EGEDLO COc1cc(C#N)ccc1C[N@H+](C)Cc1cncc(Br)c1 ZINC001231618315 1376282646 /nfs/dbraw/zinc/28/26/46/1376282646.db2.gz FQBXIEVYNMSPKT-UHFFFAOYSA-N 1 2 346.228 3.356 20 30 EGEDLO COc1cc(C#N)ccc1C[N@@H+](C)Cc1cncc(Br)c1 ZINC001231618315 1376282664 /nfs/dbraw/zinc/28/26/64/1376282664.db2.gz FQBXIEVYNMSPKT-UHFFFAOYSA-N 1 2 346.228 3.356 20 30 EGEDLO C=CCOc1cccc(C[N@@H+](C)[C@@H](Cc2ccccc2)C(=O)OC)c1 ZINC001231624872 1376284451 /nfs/dbraw/zinc/28/44/51/1376284451.db2.gz ZRSNTGMTXBHQRC-FQEVSTJZSA-N 1 2 339.435 3.468 20 30 EGEDLO C=CCOc1cccc(C[N@H+](C)[C@@H](Cc2ccccc2)C(=O)OC)c1 ZINC001231624872 1376284455 /nfs/dbraw/zinc/28/44/55/1376284455.db2.gz ZRSNTGMTXBHQRC-FQEVSTJZSA-N 1 2 339.435 3.468 20 30 EGEDLO C#Cc1cccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)CC23CC3)c1 ZINC001231657388 1376295213 /nfs/dbraw/zinc/29/52/13/1376295213.db2.gz JSDQVJSHSSIRKN-UHFFFAOYSA-N 1 2 326.440 3.253 20 30 EGEDLO C#Cc1cccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)CC23CC3)c1 ZINC001231657388 1376295223 /nfs/dbraw/zinc/29/52/23/1376295223.db2.gz JSDQVJSHSSIRKN-UHFFFAOYSA-N 1 2 326.440 3.253 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(Cl)cnc1F)C2 ZINC001231994937 1376374419 /nfs/dbraw/zinc/37/44/19/1376374419.db2.gz YHIZRWIURCTSEM-RDJZCZTQSA-N 1 2 340.826 3.200 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(Cl)cnc1F)C2 ZINC001231994937 1376374423 /nfs/dbraw/zinc/37/44/23/1376374423.db2.gz YHIZRWIURCTSEM-RDJZCZTQSA-N 1 2 340.826 3.200 20 30 EGEDLO N#Cc1ccnc(C[NH+]2CCC(C(=O)c3ccc(F)cc3F)CC2)c1 ZINC001232478194 1376466021 /nfs/dbraw/zinc/46/60/21/1376466021.db2.gz HSRZUSOKHQFLEC-UHFFFAOYSA-N 1 2 341.361 3.326 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232673153 1376498897 /nfs/dbraw/zinc/49/88/97/1376498897.db2.gz AVYWTVSKKXYGRY-MRXNPFEDSA-N 1 2 345.443 3.143 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232673153 1376498900 /nfs/dbraw/zinc/49/89/00/1376498900.db2.gz AVYWTVSKKXYGRY-MRXNPFEDSA-N 1 2 345.443 3.143 20 30 EGEDLO Cc1cccc(O[C@H]2CCC[N@H+](Cc3cc(F)ccc3C#N)C2)n1 ZINC001232892320 1376535987 /nfs/dbraw/zinc/53/59/87/1376535987.db2.gz HSMNCWWNOUPWTA-SFHVURJKSA-N 1 2 325.387 3.444 20 30 EGEDLO Cc1cccc(O[C@H]2CCC[N@@H+](Cc3cc(F)ccc3C#N)C2)n1 ZINC001232892320 1376535995 /nfs/dbraw/zinc/53/59/95/1376535995.db2.gz HSMNCWWNOUPWTA-SFHVURJKSA-N 1 2 325.387 3.444 20 30 EGEDLO N#C[C@H]1CCC[N@@H+](Cc2ccsc2I)CC1 ZINC001233150421 1376575933 /nfs/dbraw/zinc/57/59/33/1376575933.db2.gz YCKYZIWDWWFCNA-JTQLQIEISA-N 1 2 346.237 3.478 20 30 EGEDLO N#C[C@H]1CCC[N@H+](Cc2ccsc2I)CC1 ZINC001233150421 1376575937 /nfs/dbraw/zinc/57/59/37/1376575937.db2.gz YCKYZIWDWWFCNA-JTQLQIEISA-N 1 2 346.237 3.478 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1)C(=O)/C=C\C1CC1 ZINC001233502982 1376657507 /nfs/dbraw/zinc/65/75/07/1376657507.db2.gz UZCQDKUGCPELJH-POGDKVGISA-N 1 2 342.870 3.190 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1)C(=O)/C=C\C1CC1 ZINC001233502982 1376657512 /nfs/dbraw/zinc/65/75/12/1376657512.db2.gz UZCQDKUGCPELJH-POGDKVGISA-N 1 2 342.870 3.190 20 30 EGEDLO CCC(=CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)CC ZINC001233600191 1376679599 /nfs/dbraw/zinc/67/95/99/1376679599.db2.gz IFPYUFICVXVJBS-GOSISDBHSA-N 1 2 343.446 3.476 20 30 EGEDLO CCC(=CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)CC ZINC001233600191 1376679603 /nfs/dbraw/zinc/67/96/03/1376679603.db2.gz IFPYUFICVXVJBS-GOSISDBHSA-N 1 2 343.446 3.476 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)C(F)=C1CCCC1 ZINC001233623114 1376685871 /nfs/dbraw/zinc/68/58/71/1376685871.db2.gz QWDOKPZXNOYJPU-AWEZNQCLSA-N 1 2 347.459 3.450 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)C(F)=C1CCCC1 ZINC001233623114 1376685878 /nfs/dbraw/zinc/68/58/78/1376685878.db2.gz QWDOKPZXNOYJPU-AWEZNQCLSA-N 1 2 347.459 3.450 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)C[C@@H]1C=CCCC1 ZINC001235775671 1376893895 /nfs/dbraw/zinc/89/38/95/1376893895.db2.gz DSYMBIKCMGRIED-NHCUHLMSSA-N 1 2 336.479 3.317 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)C[C@@H]1C=CCCC1 ZINC001235775671 1376893912 /nfs/dbraw/zinc/89/39/12/1376893912.db2.gz DSYMBIKCMGRIED-NHCUHLMSSA-N 1 2 336.479 3.317 20 30 EGEDLO C=CC1(CC(=O)NCC[NH2+]Cc2nnc(C(C)(C)C)o2)CCCCC1 ZINC001135196993 1376967911 /nfs/dbraw/zinc/96/79/11/1376967911.db2.gz RIVPDAKLDNDWIR-UHFFFAOYSA-N 1 2 348.491 3.100 20 30 EGEDLO CC(C)(C)OC(=O)N1CCc2c1cccc2C[N@@H+]1CC[C@@H](C#N)C1 ZINC001236981297 1376969511 /nfs/dbraw/zinc/96/95/11/1376969511.db2.gz UDQGEPCKQWESTQ-AWEZNQCLSA-N 1 2 327.428 3.330 20 30 EGEDLO CC(C)(C)OC(=O)N1CCc2c1cccc2C[N@H+]1CC[C@@H](C#N)C1 ZINC001236981297 1376969529 /nfs/dbraw/zinc/96/95/29/1376969529.db2.gz UDQGEPCKQWESTQ-AWEZNQCLSA-N 1 2 327.428 3.330 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(F)c(F)cc1F)C2 ZINC001137889975 1377638419 /nfs/dbraw/zinc/63/84/19/1377638419.db2.gz WHVLLVAVYULYTE-KSSFIOAISA-N 1 2 341.373 3.430 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(F)c(F)cc1F)C2 ZINC001137889975 1377638420 /nfs/dbraw/zinc/63/84/20/1377638420.db2.gz WHVLLVAVYULYTE-KSSFIOAISA-N 1 2 341.373 3.430 20 30 EGEDLO N#CC1(c2ccccc2F)CC[NH+](Cc2cc(O)cc(O)c2)CC1 ZINC001138333465 1377703724 /nfs/dbraw/zinc/70/37/24/1377703724.db2.gz DIISUVHSUZQPRB-UHFFFAOYSA-N 1 2 326.371 3.294 20 30 EGEDLO CCOC[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)Cc2cnn(CC)c21 ZINC001139528193 1377898453 /nfs/dbraw/zinc/89/84/53/1377898453.db2.gz NTTRSMNJJWDAFO-KRWDZBQOSA-N 1 2 342.418 3.050 20 30 EGEDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)Cc2cnn(CC)c21 ZINC001139528193 1377898456 /nfs/dbraw/zinc/89/84/56/1377898456.db2.gz NTTRSMNJJWDAFO-KRWDZBQOSA-N 1 2 342.418 3.050 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cc(C#N)ccc1F)CCO2 ZINC001139649259 1377926140 /nfs/dbraw/zinc/92/61/40/1377926140.db2.gz WEXDSPXCPGGABG-UYAOXDASSA-N 1 2 344.430 3.271 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1cc(C#N)ccc1F)CCO2 ZINC001139649259 1377926142 /nfs/dbraw/zinc/92/61/42/1377926142.db2.gz WEXDSPXCPGGABG-UYAOXDASSA-N 1 2 344.430 3.271 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccnc(Cl)c1F)C2 ZINC001139663553 1377929403 /nfs/dbraw/zinc/92/94/03/1377929403.db2.gz NWXLOAMJDJINDS-PBHICJAKSA-N 1 2 340.826 3.200 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccnc(Cl)c1F)C2 ZINC001139663553 1377929405 /nfs/dbraw/zinc/92/94/05/1377929405.db2.gz NWXLOAMJDJINDS-PBHICJAKSA-N 1 2 340.826 3.200 20 30 EGEDLO Cc1ccc(C[NH+]2CCN(c3ccc(F)cc3F)CC2)cc1C#N ZINC001139726247 1377942081 /nfs/dbraw/zinc/94/20/81/1377942081.db2.gz CDHKQWZCBDLRJV-UHFFFAOYSA-N 1 2 327.378 3.467 20 30 EGEDLO Cc1ccc(C[N@H+]2CCN(C(=O)c3ccccc3)C[C@H]2C)cc1C#N ZINC001139727038 1377942980 /nfs/dbraw/zinc/94/29/80/1377942980.db2.gz GKPRJXSQJIZCFJ-QGZVFWFLSA-N 1 2 333.435 3.213 20 30 EGEDLO Cc1ccc(C[N@@H+]2CCN(C(=O)c3ccccc3)C[C@H]2C)cc1C#N ZINC001139727038 1377942983 /nfs/dbraw/zinc/94/29/83/1377942983.db2.gz GKPRJXSQJIZCFJ-QGZVFWFLSA-N 1 2 333.435 3.213 20 30 EGEDLO C=CCn1cc(CN2CC[NH+](Cc3ccccc3Cl)CC2)cn1 ZINC001139770102 1377948186 /nfs/dbraw/zinc/94/81/86/1377948186.db2.gz CONDGAVSBZJYJA-UHFFFAOYSA-N 1 2 330.863 3.040 20 30 EGEDLO C=CCn1cc(C[NH+]2CCN(Cc3ccccc3Cl)CC2)cn1 ZINC001139770102 1377948187 /nfs/dbraw/zinc/94/81/87/1377948187.db2.gz CONDGAVSBZJYJA-UHFFFAOYSA-N 1 2 330.863 3.040 20 30 EGEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc(C(F)(F)F)ccc2C)CC1 ZINC001139888955 1377972337 /nfs/dbraw/zinc/97/23/37/1377972337.db2.gz ROHBOEKRIDHRTD-UHFFFAOYSA-N 1 2 340.345 3.293 20 30 EGEDLO N#Cc1ccc(C[NH+](Cc2ccc(C#N)cc2)Cc2cccnn2)cc1 ZINC001139973958 1377985517 /nfs/dbraw/zinc/98/55/17/1377985517.db2.gz OMFCAWHORGXPLO-UHFFFAOYSA-N 1 2 339.402 3.422 20 30 EGEDLO COC(C[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1F)OC ZINC001140136411 1378017695 /nfs/dbraw/zinc/01/76/95/1378017695.db2.gz ZJIRWMBGGSTIOI-UHFFFAOYSA-N 1 2 328.387 3.318 20 30 EGEDLO COC(C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1F)OC ZINC001140136411 1378017702 /nfs/dbraw/zinc/01/77/02/1378017702.db2.gz ZJIRWMBGGSTIOI-UHFFFAOYSA-N 1 2 328.387 3.318 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@@H]21 ZINC001140135966 1378017888 /nfs/dbraw/zinc/01/78/88/1378017888.db2.gz ARTCWYDQLVTAQY-RDJZCZTQSA-N 1 2 345.418 3.139 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@@H]21 ZINC001140135966 1378017889 /nfs/dbraw/zinc/01/78/89/1378017889.db2.gz ARTCWYDQLVTAQY-RDJZCZTQSA-N 1 2 345.418 3.139 20 30 EGEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1nc2ccccc2[nH]1 ZINC001272668185 1378077973 /nfs/dbraw/zinc/07/79/73/1378077973.db2.gz IHBWGUMEVSGHKB-HXUWFJFHSA-N 1 2 338.455 3.096 20 30 EGEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1nc2ccccc2[nH]1 ZINC001272668185 1378077971 /nfs/dbraw/zinc/07/79/71/1378077971.db2.gz IHBWGUMEVSGHKB-HXUWFJFHSA-N 1 2 338.455 3.096 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(F)cc(F)cc1F)C2 ZINC001140532755 1378080500 /nfs/dbraw/zinc/08/05/00/1378080500.db2.gz UKUCPYZESDVFRZ-KSSFIOAISA-N 1 2 341.373 3.430 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1c(F)cc(F)cc1F)C2 ZINC001140532755 1378080501 /nfs/dbraw/zinc/08/05/01/1378080501.db2.gz UKUCPYZESDVFRZ-KSSFIOAISA-N 1 2 341.373 3.430 20 30 EGEDLO N#Cc1c(F)cc(CN2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)cc1F ZINC001140755612 1378130677 /nfs/dbraw/zinc/13/06/77/1378130677.db2.gz MRLCFMHYRMRVQG-INIZCTEOSA-N 1 2 341.352 3.142 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3cccc(C#N)c3Cl)C[C@H]21 ZINC001140814920 1378149568 /nfs/dbraw/zinc/14/95/68/1378149568.db2.gz UMKUQSCAFMXLIS-LSDHHAIUSA-N 1 2 347.846 3.263 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3Cl)C[C@H]21 ZINC001140814920 1378149569 /nfs/dbraw/zinc/14/95/69/1378149569.db2.gz UMKUQSCAFMXLIS-LSDHHAIUSA-N 1 2 347.846 3.263 20 30 EGEDLO COCC[NH+]1CC2(CCN2Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC001278272433 1378265831 /nfs/dbraw/zinc/26/58/31/1378265831.db2.gz JKAAWBIUQXEGMT-UHFFFAOYSA-N 1 2 347.462 3.132 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@](O)(CF)CC1 ZINC001141807504 1378379985 /nfs/dbraw/zinc/37/99/85/1378379985.db2.gz LTASPXKPODFTFE-OAHLLOKOSA-N 1 2 341.224 3.007 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@](O)(CF)CC1 ZINC001141807504 1378379989 /nfs/dbraw/zinc/37/99/89/1378379989.db2.gz LTASPXKPODFTFE-OAHLLOKOSA-N 1 2 341.224 3.007 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)c1cc(C)cc2cn[nH]c21 ZINC001281955835 1378463920 /nfs/dbraw/zinc/46/39/20/1378463920.db2.gz QSYCRXFOQYKGNS-OAHLLOKOSA-N 1 2 346.862 3.160 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1cc(C)cc2cn[nH]c21 ZINC001281955835 1378463922 /nfs/dbraw/zinc/46/39/22/1378463922.db2.gz QSYCRXFOQYKGNS-OAHLLOKOSA-N 1 2 346.862 3.160 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)c1cc(C)cc2c[nH]nc21 ZINC001281955835 1378463924 /nfs/dbraw/zinc/46/39/24/1378463924.db2.gz QSYCRXFOQYKGNS-OAHLLOKOSA-N 1 2 346.862 3.160 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1cc(C)cc2c[nH]nc21 ZINC001281955835 1378463925 /nfs/dbraw/zinc/46/39/25/1378463925.db2.gz QSYCRXFOQYKGNS-OAHLLOKOSA-N 1 2 346.862 3.160 20 30 EGEDLO C[N@H+](Cc1cnn(C(=O)OC(C)(C)C)c1)Cc1ccc(C#N)cc1 ZINC001142793230 1378487746 /nfs/dbraw/zinc/48/77/46/1378487746.db2.gz JXPZNRQSLSKKNF-UHFFFAOYSA-N 1 2 326.400 3.170 20 30 EGEDLO C[N@@H+](Cc1cnn(C(=O)OC(C)(C)C)c1)Cc1ccc(C#N)cc1 ZINC001142793230 1378487747 /nfs/dbraw/zinc/48/77/47/1378487747.db2.gz JXPZNRQSLSKKNF-UHFFFAOYSA-N 1 2 326.400 3.170 20 30 EGEDLO C#CC1CC[NH+](Cc2c(F)ccc(Br)c2OC)CC1 ZINC001142895421 1378506577 /nfs/dbraw/zinc/50/65/77/1378506577.db2.gz ZKVKEOLTYPTECS-UHFFFAOYSA-N 1 2 326.209 3.442 20 30 EGEDLO COc1ccccc1O[C@H]1CC[N@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143171299 1378553775 /nfs/dbraw/zinc/55/37/75/1378553775.db2.gz WKVSXXPIDCEEGC-AWEZNQCLSA-N 1 2 344.361 3.498 20 30 EGEDLO COc1ccccc1O[C@H]1CC[N@@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143171299 1378553776 /nfs/dbraw/zinc/55/37/76/1378553776.db2.gz WKVSXXPIDCEEGC-AWEZNQCLSA-N 1 2 344.361 3.498 20 30 EGEDLO N#Cc1ccc(F)c(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c1F ZINC001143173238 1378553786 /nfs/dbraw/zinc/55/37/86/1378553786.db2.gz SPTASPBUNXCAHR-UHFFFAOYSA-N 1 2 347.409 3.061 20 30 EGEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nc(C(C)C)no1)C2 ZINC001147657752 1379056662 /nfs/dbraw/zinc/05/66/62/1379056662.db2.gz AKCLKGSIDOFWRY-HNNXBMFYSA-N 1 2 346.475 3.145 20 30 EGEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nc(C(C)C)no1)C2 ZINC001147657752 1379056665 /nfs/dbraw/zinc/05/66/65/1379056665.db2.gz AKCLKGSIDOFWRY-HNNXBMFYSA-N 1 2 346.475 3.145 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C\Cl)C2 ZINC001148088135 1379114059 /nfs/dbraw/zinc/11/40/59/1379114059.db2.gz IOXKYBMRLUIUJO-JWHDQYKWSA-N 1 2 331.287 3.298 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](C/C(Cl)=C\Cl)C2 ZINC001148088135 1379114063 /nfs/dbraw/zinc/11/40/63/1379114063.db2.gz IOXKYBMRLUIUJO-JWHDQYKWSA-N 1 2 331.287 3.298 20 30 EGEDLO CCCCCCCCC(=O)NCC[NH2+]Cc1nnc(C(F)F)s1 ZINC001148727783 1379254858 /nfs/dbraw/zinc/25/48/58/1379254858.db2.gz KTXIIQVIMMBBLN-UHFFFAOYSA-N 1 2 348.463 3.432 20 30 EGEDLO CC(C)Oc1ccc(C(=O)N(C(N)=[NH2+])c2ccccc2F)cc1C#N ZINC001148777487 1379266132 /nfs/dbraw/zinc/26/61/32/1379266132.db2.gz ITQFEJZCPDOQAT-UHFFFAOYSA-N 1 2 340.358 3.025 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@H+](CC=C(Cl)Cl)CCCO1 ZINC001150246288 1379521326 /nfs/dbraw/zinc/52/13/26/1379521326.db2.gz DLSCNNWDNWLMJK-CZUORRHYSA-N 1 2 349.302 3.115 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](CC=C(Cl)Cl)CCCO1 ZINC001150246288 1379521328 /nfs/dbraw/zinc/52/13/28/1379521328.db2.gz DLSCNNWDNWLMJK-CZUORRHYSA-N 1 2 349.302 3.115 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](CCC)CC(C)C)C1 ZINC001150804183 1379616768 /nfs/dbraw/zinc/61/67/68/1379616768.db2.gz XOXMBVBCHMYJGT-SJORKVTESA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H](CCC)CC(C)C)C1 ZINC001150804183 1379616771 /nfs/dbraw/zinc/61/67/71/1379616771.db2.gz XOXMBVBCHMYJGT-SJORKVTESA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C1CCCCC1 ZINC001151637647 1379751660 /nfs/dbraw/zinc/75/16/60/1379751660.db2.gz LNISRQQMECTWDH-CYBMUJFWSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C1CCCCC1 ZINC001151637647 1379751662 /nfs/dbraw/zinc/75/16/62/1379751662.db2.gz LNISRQQMECTWDH-CYBMUJFWSA-N 1 2 331.298 3.302 20 30 EGEDLO C=CCCCC(=O)NC1(C)CC[NH+](CC(=C)Br)CC1 ZINC001754629263 1440647240 /nfs/dbraw/zinc/64/72/40/1440647240.db2.gz WTHFHHXAARFVKH-UHFFFAOYSA-N 1 2 329.282 3.222 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1nc2c(o1)CCCC2 ZINC001152841422 1379986039 /nfs/dbraw/zinc/98/60/39/1379986039.db2.gz CHVLFWULRMRIEW-MRXNPFEDSA-N 1 2 345.487 3.074 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc2c(o1)CCCC2 ZINC001152841422 1379986040 /nfs/dbraw/zinc/98/60/40/1379986040.db2.gz CHVLFWULRMRIEW-MRXNPFEDSA-N 1 2 345.487 3.074 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C(C)=C1CCC1 ZINC001153252945 1380044851 /nfs/dbraw/zinc/04/48/51/1380044851.db2.gz OHTXEQZIAGLEAW-GFCCVEGCSA-N 1 2 329.282 3.222 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C(C)=C1CCC1 ZINC001153252945 1380044853 /nfs/dbraw/zinc/04/48/53/1380044853.db2.gz OHTXEQZIAGLEAW-GFCCVEGCSA-N 1 2 329.282 3.222 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(CC)o1 ZINC001153566336 1380094161 /nfs/dbraw/zinc/09/41/61/1380094161.db2.gz AXBUHLNKROHTHJ-OAHLLOKOSA-N 1 2 333.476 3.332 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(CC)o1 ZINC001153566336 1380094162 /nfs/dbraw/zinc/09/41/62/1380094162.db2.gz AXBUHLNKROHTHJ-OAHLLOKOSA-N 1 2 333.476 3.332 20 30 EGEDLO C=CCC[C@H](C(=O)NCC[NH2+][C@H](C)c1csnn1)c1ccccc1 ZINC001153824212 1380137498 /nfs/dbraw/zinc/13/74/98/1380137498.db2.gz ACQORRLTKQSIJS-ZBFHGGJFSA-N 1 2 344.484 3.055 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C1CC2(CCC2)C1 ZINC001154724887 1380340660 /nfs/dbraw/zinc/34/06/60/1380340660.db2.gz ROBHEYYCJCBBIG-CYBMUJFWSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C1CC2(CCC2)C1 ZINC001154724887 1380340662 /nfs/dbraw/zinc/34/06/62/1380340662.db2.gz ROBHEYYCJCBBIG-CYBMUJFWSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)CCCC1CC1 ZINC001154735542 1380342799 /nfs/dbraw/zinc/34/27/99/1380342799.db2.gz HBIPJVUDYJQYTB-CYBMUJFWSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)CCCC1CC1 ZINC001154735542 1380342800 /nfs/dbraw/zinc/34/28/00/1380342800.db2.gz HBIPJVUDYJQYTB-CYBMUJFWSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(Cl)n1C ZINC001154743249 1380344070 /nfs/dbraw/zinc/34/40/70/1380344070.db2.gz XJYRHZBLTDUSIH-ZIAGYGMSSA-N 1 2 340.899 3.002 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(Cl)n1C ZINC001154743249 1380344072 /nfs/dbraw/zinc/34/40/72/1380344072.db2.gz XJYRHZBLTDUSIH-ZIAGYGMSSA-N 1 2 340.899 3.002 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)CCC1(C)CC1 ZINC001156177304 1380536669 /nfs/dbraw/zinc/53/66/69/1380536669.db2.gz STGDAJJPADLVJV-CYBMUJFWSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)CCC1(C)CC1 ZINC001156177304 1380536670 /nfs/dbraw/zinc/53/66/70/1380536670.db2.gz STGDAJJPADLVJV-CYBMUJFWSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(C)C(=O)NCCCNc1cc(-c2ccnc(Cl)c2)cc[nH+]1 ZINC001156821356 1380653542 /nfs/dbraw/zinc/65/35/42/1380653542.db2.gz WVHCPSRYFYMRMM-UHFFFAOYSA-N 1 2 330.819 3.291 20 30 EGEDLO Cc1ccc(CC#N)c(N2CC[C@]3(c4ccccc4OC3=O)C2(C)C)[nH+]1 ZINC001157600892 1380977411 /nfs/dbraw/zinc/97/74/11/1380977411.db2.gz KUCALOMDIVAQKE-OAQYLSRUSA-N 1 2 347.418 3.302 20 30 EGEDLO C#CCCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(CC)o1 ZINC001157849859 1381050720 /nfs/dbraw/zinc/05/07/20/1381050720.db2.gz JCGPVHYBBNFJKE-QGZVFWFLSA-N 1 2 345.487 3.244 20 30 EGEDLO C#CCCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(CC)o1 ZINC001157849859 1381050723 /nfs/dbraw/zinc/05/07/23/1381050723.db2.gz JCGPVHYBBNFJKE-QGZVFWFLSA-N 1 2 345.487 3.244 20 30 EGEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1csc(C)n1 ZINC001157907765 1381067256 /nfs/dbraw/zinc/06/72/56/1381067256.db2.gz DYBBGLMMLNFQTB-QGZVFWFLSA-N 1 2 333.501 3.068 20 30 EGEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1csc(C)n1 ZINC001157907765 1381067260 /nfs/dbraw/zinc/06/72/60/1381067260.db2.gz DYBBGLMMLNFQTB-QGZVFWFLSA-N 1 2 333.501 3.068 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nocc1C ZINC001158377228 1381225325 /nfs/dbraw/zinc/22/53/25/1381225325.db2.gz JSRFJSGRICJRQR-DLBZAZTESA-N 1 2 333.476 3.398 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nocc1C ZINC001158377228 1381225329 /nfs/dbraw/zinc/22/53/29/1381225329.db2.gz JSRFJSGRICJRQR-DLBZAZTESA-N 1 2 333.476 3.398 20 30 EGEDLO N#Cc1cccnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001158547140 1381292167 /nfs/dbraw/zinc/29/21/67/1381292167.db2.gz SSALOTFNEDVEGU-INIZCTEOSA-N 1 2 346.356 3.206 20 30 EGEDLO N#Cc1cccnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001158547140 1381292169 /nfs/dbraw/zinc/29/21/69/1381292169.db2.gz SSALOTFNEDVEGU-INIZCTEOSA-N 1 2 346.356 3.206 20 30 EGEDLO N#Cc1ccc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)nc1 ZINC001158545207 1381292278 /nfs/dbraw/zinc/29/22/78/1381292278.db2.gz HFGVVOJXPWRAEA-MRXNPFEDSA-N 1 2 346.356 3.206 20 30 EGEDLO N#Cc1ccc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)nc1 ZINC001158545207 1381292286 /nfs/dbraw/zinc/29/22/86/1381292286.db2.gz HFGVVOJXPWRAEA-MRXNPFEDSA-N 1 2 346.356 3.206 20 30 EGEDLO C=CCCC(=O)NCCC1=CC[N@H+](Cc2coc(C3CC3)n2)CC1 ZINC001159544620 1381823700 /nfs/dbraw/zinc/82/37/00/1381823700.db2.gz VMNJOJRFDQGUDL-UHFFFAOYSA-N 1 2 329.444 3.157 20 30 EGEDLO C=CCCC(=O)NCCC1=CC[N@@H+](Cc2coc(C3CC3)n2)CC1 ZINC001159544620 1381823704 /nfs/dbraw/zinc/82/37/04/1381823704.db2.gz VMNJOJRFDQGUDL-UHFFFAOYSA-N 1 2 329.444 3.157 20 30 EGEDLO C#CCCCCC(=O)NCCC1=CC[N@H+](Cc2nc(C)c(C)o2)CC1 ZINC001159880421 1381926845 /nfs/dbraw/zinc/92/68/45/1381926845.db2.gz BNMYDPPKPKPBBL-UHFFFAOYSA-N 1 2 343.471 3.123 20 30 EGEDLO C#CCCCCC(=O)NCCC1=CC[N@@H+](Cc2nc(C)c(C)o2)CC1 ZINC001159880421 1381926847 /nfs/dbraw/zinc/92/68/47/1381926847.db2.gz BNMYDPPKPKPBBL-UHFFFAOYSA-N 1 2 343.471 3.123 20 30 EGEDLO C#CCCCCC(=O)NCCC1=CC[N@H+](Cc2ncc(CC)o2)CC1 ZINC001159880961 1381927073 /nfs/dbraw/zinc/92/70/73/1381927073.db2.gz XGWGXFFMVVEPQT-UHFFFAOYSA-N 1 2 343.471 3.069 20 30 EGEDLO C#CCCCCC(=O)NCCC1=CC[N@@H+](Cc2ncc(CC)o2)CC1 ZINC001159880961 1381927076 /nfs/dbraw/zinc/92/70/76/1381927076.db2.gz XGWGXFFMVVEPQT-UHFFFAOYSA-N 1 2 343.471 3.069 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)C[C@H](C)CC)CC1 ZINC001159940114 1381942399 /nfs/dbraw/zinc/94/23/99/1381942399.db2.gz BVVSVMFRWDXYLE-CYBMUJFWSA-N 1 2 343.309 3.470 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)C[C@H](C)CC)CC1 ZINC001159940114 1381942406 /nfs/dbraw/zinc/94/24/06/1381942406.db2.gz BVVSVMFRWDXYLE-CYBMUJFWSA-N 1 2 343.309 3.470 20 30 EGEDLO C=C(C)CCC(=O)NCCC1=CC[N@H+](Cc2csnc2OC)CC1 ZINC001160264441 1382054871 /nfs/dbraw/zinc/05/48/71/1382054871.db2.gz PGZKJXKKSZGJBR-UHFFFAOYSA-N 1 2 349.500 3.146 20 30 EGEDLO C=C(C)CCC(=O)NCCC1=CC[N@@H+](Cc2csnc2OC)CC1 ZINC001160264441 1382054874 /nfs/dbraw/zinc/05/48/74/1382054874.db2.gz PGZKJXKKSZGJBR-UHFFFAOYSA-N 1 2 349.500 3.146 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2coc(C)n2)CC1 ZINC001160942031 1382246281 /nfs/dbraw/zinc/24/62/81/1382246281.db2.gz UZOATGRUDWIACO-GJZGRUSLSA-N 1 2 331.460 3.080 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2coc(C)n2)CC1 ZINC001160942031 1382246289 /nfs/dbraw/zinc/24/62/89/1382246289.db2.gz UZOATGRUDWIACO-GJZGRUSLSA-N 1 2 331.460 3.080 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@@H+]([C@H](C)c2ncccn2)CC1 ZINC001160967049 1382254204 /nfs/dbraw/zinc/25/42/04/1382254204.db2.gz AKGBKMQIWLKTFL-DLBZAZTESA-N 1 2 342.487 3.278 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@H+]([C@H](C)c2ncccn2)CC1 ZINC001160967049 1382254209 /nfs/dbraw/zinc/25/42/09/1382254209.db2.gz AKGBKMQIWLKTFL-DLBZAZTESA-N 1 2 342.487 3.278 20 30 EGEDLO COc1cc2ccc(NCc3ncc(C#N)s3)[nH+]c2cc1OC ZINC001161002825 1382268388 /nfs/dbraw/zinc/26/83/88/1382268388.db2.gz GMHSFZNPBKVGOT-UHFFFAOYSA-N 1 2 326.381 3.192 20 30 EGEDLO N#Cc1cc(NC2CN(c3cccc[nH+]3)C2)nc2ccc(Cl)cc12 ZINC001161326257 1382371055 /nfs/dbraw/zinc/37/10/55/1382371055.db2.gz ZZAWGHHUVNNQJW-UHFFFAOYSA-N 1 2 335.798 3.456 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1=CC[N@H+](Cc2ccn(CC)n2)CC1 ZINC001161343511 1382376311 /nfs/dbraw/zinc/37/63/11/1382376311.db2.gz GXRPRPUSJBRWHP-UHFFFAOYSA-N 1 2 344.503 3.144 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2ccn(CC)n2)CC1 ZINC001161343511 1382376316 /nfs/dbraw/zinc/37/63/16/1382376316.db2.gz GXRPRPUSJBRWHP-UHFFFAOYSA-N 1 2 344.503 3.144 20 30 EGEDLO CC(C)n1c[nH+]cc1CNC(F)(F)c1cc(Cl)ncc1C#N ZINC001161564882 1382440135 /nfs/dbraw/zinc/44/01/35/1382440135.db2.gz FXJWACIZXKQZEC-UHFFFAOYSA-N 1 2 325.750 3.223 20 30 EGEDLO C=C(C)CCC(=O)NCCC1(C[NH2+]Cc2noc(C3CCC3)n2)CC1 ZINC001165258784 1383259072 /nfs/dbraw/zinc/25/90/72/1383259072.db2.gz PUXMFJDQZFYVIF-UHFFFAOYSA-N 1 2 346.475 3.070 20 30 EGEDLO CCOC(=O)c1cc2c[nH+]c(NC(C)(C)c3ccc(C#N)cc3)nc2[nH]1 ZINC001165734832 1383335205 /nfs/dbraw/zinc/33/52/05/1383335205.db2.gz OZUFPFCMNLJHIG-UHFFFAOYSA-N 1 2 349.394 3.305 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)CC ZINC001328766485 1388853354 /nfs/dbraw/zinc/85/33/54/1388853354.db2.gz XKRRPAJCRDCOPP-ZDUSSCGKSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)CC ZINC001328766485 1388853358 /nfs/dbraw/zinc/85/33/58/1388853358.db2.gz XKRRPAJCRDCOPP-ZDUSSCGKSA-N 1 2 331.298 3.254 20 30 EGEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NC[C@@H]2CC(C)(C)O2)[nH+]1 ZINC001168453362 1383910369 /nfs/dbraw/zinc/91/03/69/1383910369.db2.gz VILLDAWXSFBNEK-YUXUXZOQSA-N 1 2 337.489 3.251 20 30 EGEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171186174 1384463232 /nfs/dbraw/zinc/46/32/32/1384463232.db2.gz UJUGWCRZXKUAAY-UTKZUKDTSA-N 1 2 348.446 3.419 20 30 EGEDLO COC(=O)[C@](C)(Cc1ccccc1)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171191882 1384464886 /nfs/dbraw/zinc/46/48/86/1384464886.db2.gz HAKMNNMPPPDXOV-IERDGZPVSA-N 1 2 336.435 3.253 20 30 EGEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@H](CC)O1 ZINC001171320617 1384493940 /nfs/dbraw/zinc/49/39/40/1384493940.db2.gz MMYFYGNPRBNTNF-XRGNVEDSSA-N 1 2 349.519 3.195 20 30 EGEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@H](CC)O1 ZINC001171320617 1384493942 /nfs/dbraw/zinc/49/39/42/1384493942.db2.gz MMYFYGNPRBNTNF-XRGNVEDSSA-N 1 2 349.519 3.195 20 30 EGEDLO C[C@@H](Cc1ccc(C#N)cc1)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001172313221 1384767137 /nfs/dbraw/zinc/76/71/37/1384767137.db2.gz RWJNXECGISJFRW-YJBOKZPZSA-N 1 2 333.426 3.295 20 30 EGEDLO C[C@@H](CCCC#N)[N@@H+]1CCn2c(COc3cccnc3)cnc2[C@@H]1C ZINC001172499471 1384805464 /nfs/dbraw/zinc/80/54/64/1384805464.db2.gz SCRSJKYYTWSHBR-HOTGVXAUSA-N 1 2 339.443 3.316 20 30 EGEDLO C[C@@H](CCCC#N)[N@H+]1CCn2c(COc3cccnc3)cnc2[C@@H]1C ZINC001172499471 1384805468 /nfs/dbraw/zinc/80/54/68/1384805468.db2.gz SCRSJKYYTWSHBR-HOTGVXAUSA-N 1 2 339.443 3.316 20 30 EGEDLO COC(=O)[C@@H]1CCC[C@@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)C1 ZINC001172584896 1384815119 /nfs/dbraw/zinc/81/51/19/1384815119.db2.gz BTTQPXCLJXNMBM-HTQZYQBOSA-N 1 2 339.251 3.141 20 30 EGEDLO C=CCOC(=O)C[C@H]([NH2+]C1CCC2(CCCC2)CC1)C(=O)OCC=C ZINC001172727264 1384839615 /nfs/dbraw/zinc/83/96/15/1384839615.db2.gz KHIBVHPVXNAMOE-KRWDZBQOSA-N 1 2 349.471 3.296 20 30 EGEDLO C=CCOC(=O)[C@@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)CC ZINC001173214268 1384937303 /nfs/dbraw/zinc/93/73/03/1384937303.db2.gz AFMCOKAOJQIMOH-VBQJREDUSA-N 1 2 334.416 3.259 20 30 EGEDLO C[C@H]1C[N@@H+](C2CCC(CC#N)CC2)Cc2nnc(C(F)(F)F)n21 ZINC001173336488 1384961860 /nfs/dbraw/zinc/96/18/60/1384961860.db2.gz ARSKHTGDAKZHOP-UNXYVOJBSA-N 1 2 327.354 3.146 20 30 EGEDLO C[C@H]1C[N@H+](C2CCC(CC#N)CC2)Cc2nnc(C(F)(F)F)n21 ZINC001173336488 1384961862 /nfs/dbraw/zinc/96/18/62/1384961862.db2.gz ARSKHTGDAKZHOP-UNXYVOJBSA-N 1 2 327.354 3.146 20 30 EGEDLO Cc1csc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c1C#N ZINC001174430309 1385107707 /nfs/dbraw/zinc/10/77/07/1385107707.db2.gz WGNSHBAGEUUBNT-UHFFFAOYSA-N 1 2 343.452 3.383 20 30 EGEDLO N#Cc1ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)cc1F ZINC001174432852 1385107973 /nfs/dbraw/zinc/10/79/73/1385107973.db2.gz ZWXHTTMBYCMMJA-UHFFFAOYSA-N 1 2 341.386 3.152 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cn1c(C)cc2ccccc21 ZINC001317485747 1385183105 /nfs/dbraw/zinc/18/31/05/1385183105.db2.gz XOWHOKNLLZFRPF-UHFFFAOYSA-N 1 2 333.863 3.140 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cn1c(C)cc2ccccc21 ZINC001317485747 1385183106 /nfs/dbraw/zinc/18/31/06/1385183106.db2.gz XOWHOKNLLZFRPF-UHFFFAOYSA-N 1 2 333.863 3.140 20 30 EGEDLO COC(=O)c1sc(Nc2ccc(N3CCCC3)[nH+]c2)c(C#N)c1C ZINC001175346565 1385259518 /nfs/dbraw/zinc/25/95/18/1385259518.db2.gz XARKHOYYXLDUGZ-UHFFFAOYSA-N 1 2 342.424 3.454 20 30 EGEDLO COc1cc(C#N)c(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1OC ZINC001175712738 1385382849 /nfs/dbraw/zinc/38/28/49/1385382849.db2.gz JGZRTOLDXYWANN-UHFFFAOYSA-N 1 2 338.289 3.315 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@@H+](Cc3ccc(CC)cc3)[C@H]2C1 ZINC001176955483 1385755609 /nfs/dbraw/zinc/75/56/09/1385755609.db2.gz UIAYEZHRARRUGZ-PMACEKPBSA-N 1 2 342.483 3.017 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@H+](Cc3ccc(CC)cc3)[C@H]2C1 ZINC001176955483 1385755613 /nfs/dbraw/zinc/75/56/13/1385755613.db2.gz UIAYEZHRARRUGZ-PMACEKPBSA-N 1 2 342.483 3.017 20 30 EGEDLO C#CCOc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)c1 ZINC001318611828 1385794019 /nfs/dbraw/zinc/79/40/19/1385794019.db2.gz KYDNENHEINBSPF-HXUWFJFHSA-N 1 2 349.434 3.087 20 30 EGEDLO C#CCOc1cccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)c1 ZINC001318611828 1385794020 /nfs/dbraw/zinc/79/40/20/1385794020.db2.gz KYDNENHEINBSPF-HXUWFJFHSA-N 1 2 349.434 3.087 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)CC(C)(C)C)C[C@@H]21 ZINC001177150197 1385835005 /nfs/dbraw/zinc/83/50/05/1385835005.db2.gz JEJMMNWKBJSNLY-IRXDYDNUSA-N 1 2 336.520 3.327 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)CC(C)(C)C)C[C@@H]21 ZINC001177150197 1385835007 /nfs/dbraw/zinc/83/50/07/1385835007.db2.gz JEJMMNWKBJSNLY-IRXDYDNUSA-N 1 2 336.520 3.327 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N(C)CC[N@H+](C)Cc2ccc(C#N)cc2F)CC1 ZINC001320072491 1386492542 /nfs/dbraw/zinc/49/25/42/1386492542.db2.gz KDDXNDHCVBVRAW-JCNLHEQBSA-N 1 2 345.462 3.414 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N(C)CC[N@@H+](C)Cc2ccc(C#N)cc2F)CC1 ZINC001320072491 1386492546 /nfs/dbraw/zinc/49/25/46/1386492546.db2.gz KDDXNDHCVBVRAW-JCNLHEQBSA-N 1 2 345.462 3.414 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)Cn2c3ccccc3c3ccccc32)CC1 ZINC001180077043 1386689495 /nfs/dbraw/zinc/68/94/95/1386689495.db2.gz OOPIYBGXDZMCSY-UHFFFAOYSA-N 1 2 333.435 3.125 20 30 EGEDLO CC[NH+](CC)[C@H](C(=O)N(CCC#N)CCC#N)c1ccccc1Cl ZINC001182220821 1387123799 /nfs/dbraw/zinc/12/37/99/1387123799.db2.gz NXOJONRSUFVYHM-KRWDZBQOSA-N 1 2 346.862 3.379 20 30 EGEDLO N#Cc1cc(C(=O)N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)cs1 ZINC001336052620 1389000540 /nfs/dbraw/zinc/00/05/40/1389000540.db2.gz DHUNJPJCYXKVLI-OAHLLOKOSA-N 1 2 331.828 3.060 20 30 EGEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)s1 ZINC001337376387 1389322779 /nfs/dbraw/zinc/32/27/79/1389322779.db2.gz GYYASTICQLHVAZ-CQSZACIVSA-N 1 2 331.828 3.060 20 30 EGEDLO C=CCC[C@@H]1CCCN1c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1CC ZINC001340442550 1390289692 /nfs/dbraw/zinc/28/96/92/1390289692.db2.gz OIJHCZAMHDKLDZ-SJORKVTESA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCC[C@@H]1CCCN1c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1CC ZINC001340442550 1390289693 /nfs/dbraw/zinc/28/96/93/1390289693.db2.gz OIJHCZAMHDKLDZ-SJORKVTESA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(CC)C[C@@H](C)CC ZINC001342022033 1390562673 /nfs/dbraw/zinc/56/26/73/1390562673.db2.gz XDUJEIXGBFUHLL-IRXDYDNUSA-N 1 2 349.523 3.118 20 30 EGEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(CC)C[C@@H](C)CC ZINC001342022033 1390562676 /nfs/dbraw/zinc/56/26/76/1390562676.db2.gz XDUJEIXGBFUHLL-IRXDYDNUSA-N 1 2 349.523 3.118 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](OC(C)C)C1 ZINC001342070873 1390567539 /nfs/dbraw/zinc/56/75/39/1390567539.db2.gz JBQUIQNBSLIGAU-IAGOWNOFSA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](OC(C)C)C1 ZINC001342070873 1390567542 /nfs/dbraw/zinc/56/75/42/1390567542.db2.gz JBQUIQNBSLIGAU-IAGOWNOFSA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H](CC(C)C)C1 ZINC001342414654 1390610097 /nfs/dbraw/zinc/61/00/97/1390610097.db2.gz FBWMUCDVPJECID-MRXNPFEDSA-N 1 2 342.491 3.051 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC[C@H](OC(C)C)C1 ZINC001343458403 1390715604 /nfs/dbraw/zinc/71/56/04/1390715604.db2.gz XBFKYZXUVCNRGB-DLBZAZTESA-N 1 2 347.507 3.015 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC[C@H](OC(C)C)C1 ZINC001343458403 1390715606 /nfs/dbraw/zinc/71/56/06/1390715606.db2.gz XBFKYZXUVCNRGB-DLBZAZTESA-N 1 2 347.507 3.015 20 30 EGEDLO CC[N@H+](C)[C@@H](C(=O)O[C@H](C)CC#Cc1cccnc1)c1ccccc1 ZINC001345044054 1390832666 /nfs/dbraw/zinc/83/26/66/1390832666.db2.gz AFHHYABRMACZPO-YLJYHZDGSA-N 1 2 336.435 3.448 20 30 EGEDLO CC[N@@H+](C)[C@@H](C(=O)O[C@H](C)CC#Cc1cccnc1)c1ccccc1 ZINC001345044054 1390832668 /nfs/dbraw/zinc/83/26/68/1390832668.db2.gz AFHHYABRMACZPO-YLJYHZDGSA-N 1 2 336.435 3.448 20 30 EGEDLO CCCCCN(c1nnc(C2CC[NH+](CCC#N)CC2)n1C)C(C)C ZINC001350724864 1391516215 /nfs/dbraw/zinc/51/62/15/1391516215.db2.gz QPDPFEGLJYQTHG-UHFFFAOYSA-N 1 2 346.523 3.313 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCOc2cccc(C)c2C)C1 ZINC001479955394 1392492293 /nfs/dbraw/zinc/49/22/93/1392492293.db2.gz RMWZFZILLBNNNJ-INIZCTEOSA-N 1 2 336.863 3.015 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCOc2cccc(C)c2C)C1 ZINC001479955394 1392492294 /nfs/dbraw/zinc/49/22/94/1392492294.db2.gz RMWZFZILLBNNNJ-INIZCTEOSA-N 1 2 336.863 3.015 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)Cn1c(C)cc2ccccc21 ZINC001481047500 1393105713 /nfs/dbraw/zinc/10/57/13/1393105713.db2.gz DZWMZIGHFBXPHA-KRWDZBQOSA-N 1 2 345.874 3.283 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1c(C)cc2ccccc21 ZINC001481047500 1393105714 /nfs/dbraw/zinc/10/57/14/1393105714.db2.gz DZWMZIGHFBXPHA-KRWDZBQOSA-N 1 2 345.874 3.283 20 30 EGEDLO C[C@H](CC(=O)NCC[N@H+](Cc1ccc(C#N)cc1F)C1CC1)C1CC1 ZINC001481199372 1393148356 /nfs/dbraw/zinc/14/83/56/1393148356.db2.gz DSWDYAMJAALEFY-CQSZACIVSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H](CC(=O)NCC[N@@H+](Cc1ccc(C#N)cc1F)C1CC1)C1CC1 ZINC001481199372 1393148357 /nfs/dbraw/zinc/14/83/57/1393148357.db2.gz DSWDYAMJAALEFY-CQSZACIVSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)C2Cc3ccccc3C2)C1 ZINC001481407204 1394260904 /nfs/dbraw/zinc/26/09/04/1394260904.db2.gz ANWKQKSBFJSWLF-IBGZPJMESA-N 1 2 346.902 3.467 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)C2Cc3ccccc3C2)C1 ZINC001481407204 1394260907 /nfs/dbraw/zinc/26/09/07/1394260907.db2.gz ANWKQKSBFJSWLF-IBGZPJMESA-N 1 2 346.902 3.467 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)C12CCC(CC1)C2 ZINC001484747142 1395500905 /nfs/dbraw/zinc/50/09/05/1395500905.db2.gz DFHKYSLXUYWWNX-UHFFFAOYSA-N 1 2 343.309 3.256 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)C12CCC(CC1)C2 ZINC001484747142 1395500908 /nfs/dbraw/zinc/50/09/08/1395500908.db2.gz DFHKYSLXUYWWNX-UHFFFAOYSA-N 1 2 343.309 3.256 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)CSC(C)C)C[C@H]1C ZINC001484965271 1395601644 /nfs/dbraw/zinc/60/16/44/1395601644.db2.gz ABFUJNJOWBNQBP-CHWSQXEVSA-N 1 2 349.338 3.006 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)CSC(C)C)C[C@H]1C ZINC001484965271 1395601648 /nfs/dbraw/zinc/60/16/48/1395601648.db2.gz ABFUJNJOWBNQBP-CHWSQXEVSA-N 1 2 349.338 3.006 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)CSC(C)C)C[C@@H]1C ZINC001484965273 1395601599 /nfs/dbraw/zinc/60/15/99/1395601599.db2.gz ABFUJNJOWBNQBP-QWHCGFSZSA-N 1 2 349.338 3.006 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)CSC(C)C)C[C@@H]1C ZINC001484965273 1395601601 /nfs/dbraw/zinc/60/16/01/1395601601.db2.gz ABFUJNJOWBNQBP-QWHCGFSZSA-N 1 2 349.338 3.006 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C1(c2cccnc2)CCCC1 ZINC001493128072 1396336474 /nfs/dbraw/zinc/33/64/74/1396336474.db2.gz JPPYCSKNZIMPML-KRWDZBQOSA-N 1 2 347.890 3.227 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C1(c2cccnc2)CCCC1 ZINC001493128072 1396336475 /nfs/dbraw/zinc/33/64/75/1396336475.db2.gz JPPYCSKNZIMPML-KRWDZBQOSA-N 1 2 347.890 3.227 20 30 EGEDLO CC(C)CC(C)(C)C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001494612094 1396486704 /nfs/dbraw/zinc/48/67/04/1396486704.db2.gz UHFHGELDBCFPIJ-UHFFFAOYSA-N 1 2 345.462 3.318 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1nc(C(C)C)oc1C)C1CC1 ZINC001691209359 1405150245 /nfs/dbraw/zinc/15/02/45/1405150245.db2.gz WUANIEPHGAYQLR-UHFFFAOYSA-N 1 2 325.840 3.053 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1nc(C(C)C)oc1C)C1CC1 ZINC001691209359 1405150250 /nfs/dbraw/zinc/15/02/50/1405150250.db2.gz WUANIEPHGAYQLR-UHFFFAOYSA-N 1 2 325.840 3.053 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccc(Cl)c(F)c1)C1CC1 ZINC001691228055 1405167732 /nfs/dbraw/zinc/16/77/32/1405167732.db2.gz NQLVVVVVLOXZCL-UHFFFAOYSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccc(Cl)c(F)c1)C1CC1 ZINC001691228055 1405167736 /nfs/dbraw/zinc/16/77/36/1405167736.db2.gz NQLVVVVVLOXZCL-UHFFFAOYSA-N 1 2 331.218 3.426 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)C(C1CC1)C1CC1 ZINC001691671013 1405405792 /nfs/dbraw/zinc/40/57/92/1405405792.db2.gz YCZGOLWOAITQIA-HNNXBMFYSA-N 1 2 343.496 3.089 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)C(C1CC1)C1CC1 ZINC001691671013 1405405795 /nfs/dbraw/zinc/40/57/95/1405405795.db2.gz YCZGOLWOAITQIA-HNNXBMFYSA-N 1 2 343.496 3.089 20 30 EGEDLO CCCC1(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC001692150965 1405804465 /nfs/dbraw/zinc/80/44/65/1405804465.db2.gz QUCJNPHQCRSXDT-KRWDZBQOSA-N 1 2 343.446 3.358 20 30 EGEDLO CCCC1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC001692150965 1405804471 /nfs/dbraw/zinc/80/44/71/1405804471.db2.gz QUCJNPHQCRSXDT-KRWDZBQOSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)CCCc2ccccc2)C1 ZINC001692330810 1405949559 /nfs/dbraw/zinc/94/95/59/1405949559.db2.gz APLCDQDWNDAENH-UHFFFAOYSA-N 1 2 347.462 3.129 20 30 EGEDLO CC(C)C[C@H](C)CC(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001692344692 1405963396 /nfs/dbraw/zinc/96/33/96/1405963396.db2.gz YQWHZJWBBUJTFS-HNNXBMFYSA-N 1 2 345.462 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cnn3ccccc23)C1 ZINC001732040007 1428267551 /nfs/dbraw/zinc/26/75/51/1428267551.db2.gz AZMFGVMIYYMQNK-OAHLLOKOSA-N 1 2 346.862 3.013 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cnn3ccccc23)C1 ZINC001732040007 1428267554 /nfs/dbraw/zinc/26/75/54/1428267554.db2.gz AZMFGVMIYYMQNK-OAHLLOKOSA-N 1 2 346.862 3.013 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1coc2cc(F)ccc12 ZINC001700464645 1414068009 /nfs/dbraw/zinc/06/80/09/1414068009.db2.gz VHLYGGDISKERRH-LBPRGKRZSA-N 1 2 338.810 3.303 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1coc2cc(F)ccc12 ZINC001700464645 1414068013 /nfs/dbraw/zinc/06/80/13/1414068013.db2.gz VHLYGGDISKERRH-LBPRGKRZSA-N 1 2 338.810 3.303 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc(C)oc1C(F)(F)F ZINC001732592656 1428817671 /nfs/dbraw/zinc/81/76/71/1428817671.db2.gz KOBUJWDUZFDRLD-UHFFFAOYSA-N 1 2 338.757 3.363 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc(C)oc1C(F)(F)F ZINC001732592656 1428817677 /nfs/dbraw/zinc/81/76/77/1428817677.db2.gz KOBUJWDUZFDRLD-UHFFFAOYSA-N 1 2 338.757 3.363 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ncc(Cl)cc1Cl ZINC001733058766 1429203926 /nfs/dbraw/zinc/20/39/26/1429203926.db2.gz QNHFSQKGXQEHOJ-SECBINFHSA-N 1 2 336.650 3.191 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ncc(Cl)cc1Cl ZINC001733058766 1429203928 /nfs/dbraw/zinc/20/39/28/1429203928.db2.gz QNHFSQKGXQEHOJ-SECBINFHSA-N 1 2 336.650 3.191 20 30 EGEDLO C[C@@H](C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F)c1ccsc1 ZINC001713466450 1418129582 /nfs/dbraw/zinc/12/95/82/1418129582.db2.gz CNQNPGQGAWBEEE-CYBMUJFWSA-N 1 2 345.443 3.111 20 30 EGEDLO C[C@@H](C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F)c1ccsc1 ZINC001713466450 1418129588 /nfs/dbraw/zinc/12/95/88/1418129588.db2.gz CNQNPGQGAWBEEE-CYBMUJFWSA-N 1 2 345.443 3.111 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)CC1CCCCC1 ZINC001713498658 1418214047 /nfs/dbraw/zinc/21/40/47/1418214047.db2.gz BTEHCSWDJALTIM-OAHLLOKOSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)CC1CCCCC1 ZINC001713498658 1418214049 /nfs/dbraw/zinc/21/40/49/1418214049.db2.gz BTEHCSWDJALTIM-OAHLLOKOSA-N 1 2 343.309 3.446 20 30 EGEDLO Cc1ccccc1CC(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1 ZINC001713565677 1418375325 /nfs/dbraw/zinc/37/53/25/1418375325.db2.gz WFDPLDBIMWAHAX-UHFFFAOYSA-N 1 2 347.462 3.190 20 30 EGEDLO Cc1ccccc1CC(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1 ZINC001713565677 1418375329 /nfs/dbraw/zinc/37/53/29/1418375329.db2.gz WFDPLDBIMWAHAX-UHFFFAOYSA-N 1 2 347.462 3.190 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cccc(-c2cnco2)c1)C1CC1 ZINC001714674396 1419466331 /nfs/dbraw/zinc/46/63/31/1419466331.db2.gz ORHZSAOADNWSPP-UHFFFAOYSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cccc(-c2cnco2)c1)C1CC1 ZINC001714674396 1419466333 /nfs/dbraw/zinc/46/63/33/1419466333.db2.gz ORHZSAOADNWSPP-UHFFFAOYSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCc1ccc(F)cc1F ZINC001715979182 1420438978 /nfs/dbraw/zinc/43/89/78/1420438978.db2.gz ZKCBPERDLUBVTK-UHFFFAOYSA-N 1 2 330.806 3.040 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCc1ccc(F)cc1F ZINC001715979182 1420438980 /nfs/dbraw/zinc/43/89/80/1420438980.db2.gz ZKCBPERDLUBVTK-UHFFFAOYSA-N 1 2 330.806 3.040 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C1(Cc2ccc(F)cc2)CC1 ZINC001717492082 1421430832 /nfs/dbraw/zinc/43/08/32/1421430832.db2.gz VXZQNRKIJZIGJE-CQSZACIVSA-N 1 2 338.854 3.337 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C1(Cc2ccc(F)cc2)CC1 ZINC001717492082 1421430835 /nfs/dbraw/zinc/43/08/35/1421430835.db2.gz VXZQNRKIJZIGJE-CQSZACIVSA-N 1 2 338.854 3.337 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCc2cccs2)[C@@H]1C ZINC001717860175 1421672446 /nfs/dbraw/zinc/67/24/46/1421672446.db2.gz IBDHCGSZTLGHAC-DZGCQCFKSA-N 1 2 326.893 3.402 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCc2cccs2)[C@@H]1C ZINC001717860175 1421672447 /nfs/dbraw/zinc/67/24/47/1421672447.db2.gz IBDHCGSZTLGHAC-DZGCQCFKSA-N 1 2 326.893 3.402 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnn(C2CCCC2)c1C ZINC001725190155 1425732773 /nfs/dbraw/zinc/73/27/73/1425732773.db2.gz WXQPXJGTQKPRKK-ZDUSSCGKSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnn(C2CCCC2)c1C ZINC001725190155 1425732776 /nfs/dbraw/zinc/73/27/76/1425732776.db2.gz WXQPXJGTQKPRKK-ZDUSSCGKSA-N 1 2 338.883 3.109 20 30 EGEDLO CCCC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccccc1C#N ZINC001733922967 1437736607 /nfs/dbraw/zinc/73/66/07/1437736607.db2.gz IJZIZQQLIYBRCT-TZIWHRDSSA-N 1 2 333.435 3.230 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCC[N@H+](Cc2nc(C(C)(C)C)no2)C1 ZINC001752784003 1440210103 /nfs/dbraw/zinc/21/01/03/1440210103.db2.gz TVLOZHLHWWRLRK-HNNXBMFYSA-N 1 2 348.491 3.052 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCC[N@@H+](Cc2nc(C(C)(C)C)no2)C1 ZINC001752784003 1440210104 /nfs/dbraw/zinc/21/01/04/1440210104.db2.gz TVLOZHLHWWRLRK-HNNXBMFYSA-N 1 2 348.491 3.052 20 30 EGEDLO C[N@H+](CCNC(=O)C#CC(C)(C)C)Cc1cc(-c2cccs2)on1 ZINC001753048844 1440278515 /nfs/dbraw/zinc/27/85/15/1440278515.db2.gz HHBOPVURSMURRX-UHFFFAOYSA-N 1 2 345.468 3.001 20 30 EGEDLO C[N@@H+](CCNC(=O)C#CC(C)(C)C)Cc1cc(-c2cccs2)on1 ZINC001753048844 1440278516 /nfs/dbraw/zinc/27/85/16/1440278516.db2.gz HHBOPVURSMURRX-UHFFFAOYSA-N 1 2 345.468 3.001 20 30 EGEDLO C=C(C)CCC(=O)NCC[N@@H+](C)Cc1ncc(-c2cccs2)o1 ZINC001753050030 1440279063 /nfs/dbraw/zinc/27/90/63/1440279063.db2.gz DCKCIYLICRSYHS-UHFFFAOYSA-N 1 2 333.457 3.307 20 30 EGEDLO C=C(C)CCC(=O)NCC[N@H+](C)Cc1ncc(-c2cccs2)o1 ZINC001753050030 1440279064 /nfs/dbraw/zinc/27/90/64/1440279064.db2.gz DCKCIYLICRSYHS-UHFFFAOYSA-N 1 2 333.457 3.307 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCC[N@@H+](C)Cc1coc(-c2ccccc2)n1 ZINC001753059753 1440282730 /nfs/dbraw/zinc/28/27/30/1440282730.db2.gz SXCSLHQVDFLKQM-UHFFFAOYSA-N 1 2 341.455 3.492 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCC[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC001753059753 1440282731 /nfs/dbraw/zinc/28/27/31/1440282731.db2.gz SXCSLHQVDFLKQM-UHFFFAOYSA-N 1 2 341.455 3.492 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(c2ccccc2)CCCO1 ZINC001753115012 1440310797 /nfs/dbraw/zinc/31/07/97/1440310797.db2.gz AXQNNSGSKTUAFT-HKUYNNGSSA-N 1 2 348.874 3.025 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(c2ccccc2)CCCO1 ZINC001753115012 1440310798 /nfs/dbraw/zinc/31/07/98/1440310798.db2.gz AXQNNSGSKTUAFT-HKUYNNGSSA-N 1 2 348.874 3.025 20 30 EGEDLO C#CCC1(C(=O)NCC[N@@H+](Cc2cc(C)no2)C2CC2)CCCCC1 ZINC001753164684 1440335449 /nfs/dbraw/zinc/33/54/49/1440335449.db2.gz CYYJBGUQOZNARC-UHFFFAOYSA-N 1 2 343.471 3.037 20 30 EGEDLO C#CCC1(C(=O)NCC[N@H+](Cc2cc(C)no2)C2CC2)CCCCC1 ZINC001753164684 1440335450 /nfs/dbraw/zinc/33/54/50/1440335450.db2.gz CYYJBGUQOZNARC-UHFFFAOYSA-N 1 2 343.471 3.037 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H](C)c1ccc(F)cc1F)C1CC1 ZINC001753163398 1440335574 /nfs/dbraw/zinc/33/55/74/1440335574.db2.gz YMTRTUSRDGQAEG-GFCCVEGCSA-N 1 2 342.817 3.401 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H](C)c1ccc(F)cc1F)C1CC1 ZINC001753163398 1440335575 /nfs/dbraw/zinc/33/55/75/1440335575.db2.gz YMTRTUSRDGQAEG-GFCCVEGCSA-N 1 2 342.817 3.401 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)CCCC#CC)C1 ZINC001753458826 1440409485 /nfs/dbraw/zinc/40/94/85/1440409485.db2.gz HYAHFQNLAYTZMH-HNNXBMFYSA-N 1 2 341.293 3.011 20 30 EGEDLO CC/C=C(\C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1F ZINC001753304092 1440355122 /nfs/dbraw/zinc/35/51/22/1440355122.db2.gz SLFHMIMCMHUFAZ-NPVKOBCOSA-N 1 2 341.430 3.229 20 30 EGEDLO CC/C=C(\C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1F ZINC001753304092 1440355123 /nfs/dbraw/zinc/35/51/23/1440355123.db2.gz SLFHMIMCMHUFAZ-NPVKOBCOSA-N 1 2 341.430 3.229 20 30 EGEDLO CCCCCCC[NH+]1CC(NC(=O)c2cc(=O)c3ccccc3o2)C1 ZINC001753392778 1440389747 /nfs/dbraw/zinc/38/97/47/1440389747.db2.gz UWCKVGPAGZQAIK-UHFFFAOYSA-N 1 2 342.439 3.177 20 30 EGEDLO O=C(C=C1CCCCC1)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001753397849 1440390529 /nfs/dbraw/zinc/39/05/29/1440390529.db2.gz TUNSJJDYTVEUCW-UHFFFAOYSA-N 1 2 340.442 3.116 20 30 EGEDLO C=CCC1(C(=O)NCC2C[NH+]([C@@H](C)c3cnc(C)cn3)C2)CCCC1 ZINC001753415538 1440394189 /nfs/dbraw/zinc/39/41/89/1440394189.db2.gz FLVJGAIMZLUDHJ-INIZCTEOSA-N 1 2 342.487 3.031 20 30 EGEDLO CN(C(=O)/C=C/C(C)(C)C)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001753432353 1440399082 /nfs/dbraw/zinc/39/90/82/1440399082.db2.gz PRHNJPWOVFPQLT-KOEDOTQGSA-N 1 2 343.446 3.332 20 30 EGEDLO CN(C(=O)/C=C/C(C)(C)C)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001753432353 1440399083 /nfs/dbraw/zinc/39/90/83/1440399083.db2.gz PRHNJPWOVFPQLT-KOEDOTQGSA-N 1 2 343.446 3.332 20 30 EGEDLO C=CC(C)(C)CC(=O)N(C)[C@H]1CC[N@H+](Cc2noc3c2CCCC3)C1 ZINC001753436792 1440400267 /nfs/dbraw/zinc/40/02/67/1440400267.db2.gz NNIXJAWOUULTJN-HNNXBMFYSA-N 1 2 345.487 3.188 20 30 EGEDLO C=CC(C)(C)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001753436792 1440400268 /nfs/dbraw/zinc/40/02/68/1440400268.db2.gz NNIXJAWOUULTJN-HNNXBMFYSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C(C)CCC(=O)N(C)[C@@H]1CC[N@@H+]([C@H](C)c2nc(CCCC)no2)C1 ZINC001753437458 1440400478 /nfs/dbraw/zinc/40/04/78/1440400478.db2.gz WROQUXNCYAODTM-HZPDHXFCSA-N 1 2 348.491 3.362 20 30 EGEDLO C=C(C)CCC(=O)N(C)[C@@H]1CC[N@H+]([C@H](C)c2nc(CCCC)no2)C1 ZINC001753437458 1440400479 /nfs/dbraw/zinc/40/04/79/1440400479.db2.gz WROQUXNCYAODTM-HZPDHXFCSA-N 1 2 348.491 3.362 20 30 EGEDLO C=C[C@H](CC)CC(=O)N(C)[C@H]1CC[N@H+](Cc2ncc(C(C)C)o2)C1 ZINC001753441026 1440401768 /nfs/dbraw/zinc/40/17/68/1440401768.db2.gz ASRIMXADVSJJJQ-CVEARBPZSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C[C@H](CC)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ncc(C(C)C)o2)C1 ZINC001753441026 1440401769 /nfs/dbraw/zinc/40/17/69/1440401769.db2.gz ASRIMXADVSJJJQ-CVEARBPZSA-N 1 2 333.476 3.433 20 30 EGEDLO C#CCCCCCC(=O)N(C)[C@@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001753443567 1440402640 /nfs/dbraw/zinc/40/26/40/1440402640.db2.gz ZBLBOCYQSPXDST-MRXNPFEDSA-N 1 2 333.501 3.068 20 30 EGEDLO C#CCCCCCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001753443567 1440402641 /nfs/dbraw/zinc/40/26/41/1440402641.db2.gz ZBLBOCYQSPXDST-MRXNPFEDSA-N 1 2 333.501 3.068 20 30 EGEDLO CCC1(C(=O)N(C)[C@H]2CC[N@H+](CC#Cc3ccccc3Cl)C2)CC1 ZINC001753444412 1440402995 /nfs/dbraw/zinc/40/29/95/1440402995.db2.gz QJKMNLBDAGYXHV-KRWDZBQOSA-N 1 2 344.886 3.414 20 30 EGEDLO CCC1(C(=O)N(C)[C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)C2)CC1 ZINC001753444412 1440402996 /nfs/dbraw/zinc/40/29/96/1440402996.db2.gz QJKMNLBDAGYXHV-KRWDZBQOSA-N 1 2 344.886 3.414 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)CC(F)(F)F)C1 ZINC001753448124 1440404827 /nfs/dbraw/zinc/40/48/27/1440404827.db2.gz NGNSMBIYLXAVIW-RYUDHWBXSA-N 1 2 326.790 3.250 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)CC(F)(F)F)C1 ZINC001753448124 1440404828 /nfs/dbraw/zinc/40/48/28/1440404828.db2.gz NGNSMBIYLXAVIW-RYUDHWBXSA-N 1 2 326.790 3.250 20 30 EGEDLO CCN(C(=O)C#CC(C)(C)C)[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001753455543 1440407912 /nfs/dbraw/zinc/40/79/12/1440407912.db2.gz KUYYLCVFASTSHJ-MRXNPFEDSA-N 1 2 347.890 3.207 20 30 EGEDLO CCN(C(=O)C#CC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001753455543 1440407913 /nfs/dbraw/zinc/40/79/13/1440407913.db2.gz KUYYLCVFASTSHJ-MRXNPFEDSA-N 1 2 347.890 3.207 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)CCCC#CC)C1 ZINC001753458826 1440409484 /nfs/dbraw/zinc/40/94/84/1440409484.db2.gz HYAHFQNLAYTZMH-HNNXBMFYSA-N 1 2 341.293 3.011 20 30 EGEDLO C=CCC1(C(=O)NC[C@H](CC)[NH2+][C@@H](C)c2nc(C)no2)CCCC1 ZINC001753497677 1440422258 /nfs/dbraw/zinc/42/22/58/1440422258.db2.gz JCLMPLVHWDOWFS-ZFWWWQNUSA-N 1 2 334.464 3.060 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H](CC[NH2+]Cc2noc(C(C)C)n2)C1 ZINC001753552247 1440435244 /nfs/dbraw/zinc/43/52/44/1440435244.db2.gz VSFHKSHBKGXIOK-OAHLLOKOSA-N 1 2 348.491 3.124 20 30 EGEDLO C=CC(C)(C)CC(=O)NCc1ccc(C[NH2+]Cc2nncs2)cc1 ZINC001753589280 1440442247 /nfs/dbraw/zinc/44/22/47/1440442247.db2.gz TVRKDRLUSXHFML-UHFFFAOYSA-N 1 2 344.484 3.046 20 30 EGEDLO C=C(C)CCC(=O)N1CCC2(CC[N@@H+]([C@H](C)c3noc(C)n3)C2)CC1 ZINC001753604157 1440447742 /nfs/dbraw/zinc/44/77/42/1440447742.db2.gz WUSINBMUPMJLDD-OAHLLOKOSA-N 1 2 346.475 3.110 20 30 EGEDLO C=C(C)CCC(=O)N1CCC2(CC[N@H+]([C@H](C)c3noc(C)n3)C2)CC1 ZINC001753604157 1440447743 /nfs/dbraw/zinc/44/77/43/1440447743.db2.gz WUSINBMUPMJLDD-OAHLLOKOSA-N 1 2 346.475 3.110 20 30 EGEDLO CN(CC[N@H+](C)Cc1cc(F)ccc1C#N)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001753857036 1440509375 /nfs/dbraw/zinc/50/93/75/1440509375.db2.gz CXPRAMUSUNIJBJ-UXLLHSPISA-N 1 2 343.446 3.024 20 30 EGEDLO CN(CC[N@@H+](C)Cc1cc(F)ccc1C#N)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001753857036 1440509376 /nfs/dbraw/zinc/50/93/76/1440509376.db2.gz CXPRAMUSUNIJBJ-UXLLHSPISA-N 1 2 343.446 3.024 20 30 EGEDLO C=CCC(C)(C)C(=O)NC/C=C/C[NH2+]Cc1cc(C(C)(C)C)on1 ZINC001754176444 1440547741 /nfs/dbraw/zinc/54/77/41/1440547741.db2.gz FKVHCLHWJOUREU-CMDGGOBGSA-N 1 2 333.476 3.336 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C(C)C)n1 ZINC001754491540 1440610457 /nfs/dbraw/zinc/61/04/57/1440610457.db2.gz LLVWCQQAJXRXNX-FUHWJXTLSA-N 1 2 329.488 3.498 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C(C)C)n1 ZINC001754491540 1440610458 /nfs/dbraw/zinc/61/04/58/1440610458.db2.gz LLVWCQQAJXRXNX-FUHWJXTLSA-N 1 2 329.488 3.498 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1c(C)noc1CC ZINC001754552922 1440630385 /nfs/dbraw/zinc/63/03/85/1440630385.db2.gz PMBAZYIYBUYODA-CALCHBBNSA-N 1 2 345.487 3.467 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1c(C)noc1CC ZINC001754552922 1440630386 /nfs/dbraw/zinc/63/03/86/1440630386.db2.gz PMBAZYIYBUYODA-CALCHBBNSA-N 1 2 345.487 3.467 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1nc(C2CCC2)no1 ZINC001754610733 1440643714 /nfs/dbraw/zinc/64/37/14/1440643714.db2.gz LMYOBJVMEUNDLF-HNNXBMFYSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(C(C)C)o1 ZINC001754658740 1440654217 /nfs/dbraw/zinc/65/42/17/1440654217.db2.gz NQCVUJSWZXHLEY-CVEARBPZSA-N 1 2 346.475 3.115 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(C(C)C)o1 ZINC001754658740 1440654218 /nfs/dbraw/zinc/65/42/18/1440654218.db2.gz NQCVUJSWZXHLEY-CVEARBPZSA-N 1 2 346.475 3.115 20 30 EGEDLO C=C(C)[C@H](CC(=O)N[C@@]1(C)CC[N@H+](CC=C(Cl)Cl)C1)OCC ZINC001754674143 1440659144 /nfs/dbraw/zinc/65/91/44/1440659144.db2.gz ODMWKVDCBCAERB-BBRMVZONSA-N 1 2 349.302 3.257 20 30 EGEDLO C=C(C)[C@H](CC(=O)N[C@@]1(C)CC[N@@H+](CC=C(Cl)Cl)C1)OCC ZINC001754674143 1440659145 /nfs/dbraw/zinc/65/91/45/1440659145.db2.gz ODMWKVDCBCAERB-BBRMVZONSA-N 1 2 349.302 3.257 20 30 EGEDLO C=C[C@H](C(=O)N[C@]1(C)CC[N@@H+](Cc2nocc2C)C1)c1ccccc1 ZINC001754682485 1440663160 /nfs/dbraw/zinc/66/31/60/1440663160.db2.gz MSKROQPBYCZCIQ-FXAWDEMLSA-N 1 2 339.439 3.033 20 30 EGEDLO C=C[C@H](C(=O)N[C@]1(C)CC[N@H+](Cc2nocc2C)C1)c1ccccc1 ZINC001754682485 1440663161 /nfs/dbraw/zinc/66/31/61/1440663161.db2.gz MSKROQPBYCZCIQ-FXAWDEMLSA-N 1 2 339.439 3.033 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)COc2c(C)cccc2C)C1 ZINC001754683800 1440663993 /nfs/dbraw/zinc/66/39/93/1440663993.db2.gz VHIRWJXRIJPIJV-SFHVURJKSA-N 1 2 336.863 3.015 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)COc2c(C)cccc2C)C1 ZINC001754683800 1440663994 /nfs/dbraw/zinc/66/39/94/1440663994.db2.gz VHIRWJXRIJPIJV-SFHVURJKSA-N 1 2 336.863 3.015 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@]1(C)CCC[N@@H+]([C@@H](C)c2nc(CC)no2)C1 ZINC001754729308 1440678158 /nfs/dbraw/zinc/67/81/58/1440678158.db2.gz HPQZQQYMGQVWAF-LIRRHRJNSA-N 1 2 348.491 3.124 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@]1(C)CCC[N@H+]([C@@H](C)c2nc(CC)no2)C1 ZINC001754729308 1440678159 /nfs/dbraw/zinc/67/81/59/1440678159.db2.gz HPQZQQYMGQVWAF-LIRRHRJNSA-N 1 2 348.491 3.124 20 30 EGEDLO C=CC(C)(C)C(=O)NCc1ccc([C@@H](C)[NH2+]Cc2nonc2C)cc1 ZINC001754949130 1440714568 /nfs/dbraw/zinc/71/45/68/1440714568.db2.gz WPHHPZMLOIWJLG-CYBMUJFWSA-N 1 2 342.443 3.057 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@H]1CCC2(C[NH+](Cc3ccccc3)C2)O1 ZINC001755054339 1440743487 /nfs/dbraw/zinc/74/34/87/1440743487.db2.gz MOARGFYSIKQKRT-GOSISDBHSA-N 1 2 342.483 3.139 20 30 EGEDLO CCCC[C@H](C)C(=O)NCc1ccc2c(c1)C[N@@H+](CC#CCOC)C2 ZINC001755101055 1440752389 /nfs/dbraw/zinc/75/23/89/1440752389.db2.gz PQTVIOZYDFXAHD-KRWDZBQOSA-N 1 2 342.483 3.095 20 30 EGEDLO CCCC[C@H](C)C(=O)NCc1ccc2c(c1)C[N@H+](CC#CCOC)C2 ZINC001755101055 1440752390 /nfs/dbraw/zinc/75/23/90/1440752390.db2.gz PQTVIOZYDFXAHD-KRWDZBQOSA-N 1 2 342.483 3.095 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H](CCC)c3ccccn3)cc2C1 ZINC001755102287 1440753416 /nfs/dbraw/zinc/75/34/16/1440753416.db2.gz PHXZMQOKNIASFM-HXUWFJFHSA-N 1 2 347.462 3.231 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H](CCC)c3ccccn3)cc2C1 ZINC001755102287 1440753417 /nfs/dbraw/zinc/75/34/17/1440753417.db2.gz PHXZMQOKNIASFM-HXUWFJFHSA-N 1 2 347.462 3.231 20 30 EGEDLO C[C@H](CNC(=O)C1C(C)(C)C1(C)C)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001755297049 1440806859 /nfs/dbraw/zinc/80/68/59/1440806859.db2.gz IGQHEVTYRVCWLF-CYBMUJFWSA-N 1 2 345.462 3.316 20 30 EGEDLO C[C@H](CNC(=O)C1C(C)(C)C1(C)C)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001755297049 1440806860 /nfs/dbraw/zinc/80/68/60/1440806860.db2.gz IGQHEVTYRVCWLF-CYBMUJFWSA-N 1 2 345.462 3.316 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1sc(CC2CC2)nc1C ZINC001755321721 1440818892 /nfs/dbraw/zinc/81/88/92/1440818892.db2.gz SKAGUUMMXCYLBH-LLVKDONJSA-N 1 2 341.908 3.207 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1sc(CC2CC2)nc1C ZINC001755321721 1440818893 /nfs/dbraw/zinc/81/88/93/1440818893.db2.gz SKAGUUMMXCYLBH-LLVKDONJSA-N 1 2 341.908 3.207 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC001755385826 1440840552 /nfs/dbraw/zinc/84/05/52/1440840552.db2.gz DKQKQTFADPHFMH-NSHDSACASA-N 1 2 345.245 3.211 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H](C)C1C[NH+](Cc2cccc(Cl)n2)C1 ZINC001755387133 1440840934 /nfs/dbraw/zinc/84/09/34/1440840934.db2.gz ZVARTHGXKVHEEU-CYBMUJFWSA-N 1 2 335.879 3.274 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1C[N@@H+](Cc2nc(C)oc2C)CC1(C)C ZINC001755408372 1440845031 /nfs/dbraw/zinc/84/50/31/1440845031.db2.gz RJTIEPBGHTVHRO-INIZCTEOSA-N 1 2 333.476 3.220 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1C[N@H+](Cc2nc(C)oc2C)CC1(C)C ZINC001755408372 1440845032 /nfs/dbraw/zinc/84/50/32/1440845032.db2.gz RJTIEPBGHTVHRO-INIZCTEOSA-N 1 2 333.476 3.220 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C[C@H](C)[NH2+][C@H](C)c2nc(CCCC)no2)C1 ZINC001755603662 1440884909 /nfs/dbraw/zinc/88/49/09/1440884909.db2.gz GLDKMYYQLTVGRN-LSDHHAIUSA-N 1 2 348.491 3.266 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)c1c(Cl)cnn1CC)C(C)C ZINC001755813403 1440921733 /nfs/dbraw/zinc/92/17/33/1440921733.db2.gz PFDXBRLUWHUXGW-UHFFFAOYSA-N 1 2 347.290 3.091 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)c1c(Cl)cnn1CC)C(C)C ZINC001755813403 1440921734 /nfs/dbraw/zinc/92/17/34/1440921734.db2.gz PFDXBRLUWHUXGW-UHFFFAOYSA-N 1 2 347.290 3.091 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)CC[C@H]1CCCCO1)C(C)C ZINC001755815059 1440923075 /nfs/dbraw/zinc/92/30/75/1440923075.db2.gz ZEWUQZPWKZSWDI-MRXNPFEDSA-N 1 2 330.900 3.257 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)CC[C@H]1CCCCO1)C(C)C ZINC001755815059 1440923076 /nfs/dbraw/zinc/92/30/76/1440923076.db2.gz ZEWUQZPWKZSWDI-MRXNPFEDSA-N 1 2 330.900 3.257 20 30 EGEDLO C=C(C)CC[NH2+]C[C@H](NC(=O)C(C)(C)n1cnc(C)c1)C(C)(C)C ZINC001755826853 1440927468 /nfs/dbraw/zinc/92/74/68/1440927468.db2.gz YXYFZXHSEWAYMW-INIZCTEOSA-N 1 2 334.508 3.013 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)CC(C)=C(C)C)CC1 ZINC001755891362 1440941466 /nfs/dbraw/zinc/94/14/66/1440941466.db2.gz BCSZCYYCVAFZHS-UHFFFAOYSA-N 1 2 341.293 3.390 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)CC(C)=C(C)C)CC1 ZINC001755891362 1440941467 /nfs/dbraw/zinc/94/14/67/1440941467.db2.gz BCSZCYYCVAFZHS-UHFFFAOYSA-N 1 2 341.293 3.390 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)[C@H]1C ZINC001756564012 1441028106 /nfs/dbraw/zinc/02/81/06/1441028106.db2.gz PRKPGFUGORWODU-IAGOWNOFSA-N 1 2 343.471 3.082 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(SC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066559609 215054010 /nfs/dbraw/zinc/05/40/10/215054010.db2.gz GMCHQJAOENTDAB-CYBMUJFWSA-N 1 2 347.452 3.176 20 30 EGEDLO C=CC[N@H+](Cc1ccc(SC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066559609 215054014 /nfs/dbraw/zinc/05/40/14/215054014.db2.gz GMCHQJAOENTDAB-CYBMUJFWSA-N 1 2 347.452 3.176 20 30 EGEDLO N#Cc1ccc([N+](=O)[O-])c(N2CCc3c([nH+]cn3-c3ccccc3)C2)c1 ZINC000341662517 283191132 /nfs/dbraw/zinc/19/11/32/283191132.db2.gz FVHLJLMGAJTUHC-UHFFFAOYSA-N 1 2 345.362 3.215 20 30 EGEDLO C[C@H]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000129818441 223094537 /nfs/dbraw/zinc/09/45/37/223094537.db2.gz OGUVXDUNQMPORW-BLLLJJGKSA-N 1 2 327.363 3.009 20 30 EGEDLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)o1 ZINC000377252676 169003186 /nfs/dbraw/zinc/00/31/86/169003186.db2.gz SEMIMQXDBPOGRG-LJQANCHMSA-N 1 2 348.406 3.423 20 30 EGEDLO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)o1 ZINC000377252676 169003189 /nfs/dbraw/zinc/00/31/89/169003189.db2.gz SEMIMQXDBPOGRG-LJQANCHMSA-N 1 2 348.406 3.423 20 30 EGEDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000267486460 251102375 /nfs/dbraw/zinc/10/23/75/251102375.db2.gz YSHZNYWYFIKVIJ-HNNXBMFYSA-N 1 2 333.407 3.139 20 30 EGEDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000267486460 251102376 /nfs/dbraw/zinc/10/23/76/251102376.db2.gz YSHZNYWYFIKVIJ-HNNXBMFYSA-N 1 2 333.407 3.139 20 30 EGEDLO N#Cc1ccccc1Sc1ccc(C(=O)NCCn2cc[nH+]c2)cc1 ZINC000175285177 144061445 /nfs/dbraw/zinc/06/14/45/144061445.db2.gz GXNNVVKGXQAPMK-UHFFFAOYSA-N 1 2 348.431 3.336 20 30 EGEDLO Cc1cc(N2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc(C#N)n1 ZINC000341345064 155244683 /nfs/dbraw/zinc/24/46/83/155244683.db2.gz JGRDYGSEGTVKAY-UHFFFAOYSA-N 1 2 344.821 3.376 20 30 EGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1ccc(F)c(C#N)c1 ZINC000341382440 155260633 /nfs/dbraw/zinc/26/06/33/155260633.db2.gz MUOUTHMOTCIPPF-UHFFFAOYSA-N 1 2 348.381 3.214 20 30 EGEDLO C[N@H+](Cc1cc(C#N)ccc1F)[C@H]1CCCN(c2ccccc2)C1=O ZINC000115535377 152018683 /nfs/dbraw/zinc/01/86/83/152018683.db2.gz JDNJKGXLBDFWSO-IBGZPJMESA-N 1 2 337.398 3.325 20 30 EGEDLO C[N@@H+](Cc1cc(C#N)ccc1F)[C@H]1CCCN(c2ccccc2)C1=O ZINC000115535377 152018687 /nfs/dbraw/zinc/01/86/87/152018687.db2.gz JDNJKGXLBDFWSO-IBGZPJMESA-N 1 2 337.398 3.325 20 30 EGEDLO N#Cc1ccc(N2CCN(c3cc[nH+]c4c(Cl)cccc34)CC2)nc1 ZINC000341596514 155374542 /nfs/dbraw/zinc/37/45/42/155374542.db2.gz PPJCACMQZIVCEG-UHFFFAOYSA-N 1 2 349.825 3.481 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[NH2+][C@H](CCCO)c3ccccc3)o2)c1 ZINC000341871143 155504770 /nfs/dbraw/zinc/50/47/70/155504770.db2.gz CRSLQBCPRLARCC-GOSISDBHSA-N 1 2 348.406 3.212 20 30 EGEDLO N#Cc1ccccc1Sc1ccccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000114125534 162222844 /nfs/dbraw/zinc/22/28/44/162222844.db2.gz DWPFXDYJOIJYSS-UHFFFAOYSA-N 1 2 334.404 3.363 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N(C)Cc1cccc(C#N)c1 ZINC000125745392 162286563 /nfs/dbraw/zinc/28/65/63/162286563.db2.gz KIDXJGSGBPUPQS-UHFFFAOYSA-N 1 2 332.407 3.265 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248683538 163028146 /nfs/dbraw/zinc/02/81/46/163028146.db2.gz GLYOXEVFVIXDGF-VFNWGFHPSA-N 1 2 347.418 3.017 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248683538 163028150 /nfs/dbraw/zinc/02/81/50/163028150.db2.gz GLYOXEVFVIXDGF-VFNWGFHPSA-N 1 2 347.418 3.017 20 30 EGEDLO Cn1c2c(cccc2F)[nH+]c1N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000337013482 163104726 /nfs/dbraw/zinc/10/47/26/163104726.db2.gz IYEZFNOBRHRAGG-QGZVFWFLSA-N 1 2 336.370 3.162 20 30 EGEDLO C[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc(C#N)c(F)c1 ZINC000346381520 164377628 /nfs/dbraw/zinc/37/76/28/164377628.db2.gz MVCDJWFRAJESLY-CYBMUJFWSA-N 1 2 326.375 3.102 20 30 EGEDLO Cc1cc(Br)cn2cc(C[NH2+]Cc3ccc(C#N)o3)nc12 ZINC000353163288 165656925 /nfs/dbraw/zinc/65/69/25/165656925.db2.gz HQWJEKAQQXALMP-UHFFFAOYSA-N 1 2 345.200 3.160 20 30 EGEDLO Cc1nc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)ccc1C#N ZINC000355997595 166370304 /nfs/dbraw/zinc/37/03/04/166370304.db2.gz XASFUVAQDNNFBN-UHFFFAOYSA-N 1 2 342.362 3.224 20 30 EGEDLO CC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)[C@@H](CC)CN1C(C)=O ZINC000359881008 167256919 /nfs/dbraw/zinc/25/69/19/167256919.db2.gz SQATZGOAZLBZIL-ZWKOTPCHSA-N 1 2 333.863 3.433 20 30 EGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)[C@@H](CC)CN1C(C)=O ZINC000359881008 167256921 /nfs/dbraw/zinc/25/69/21/167256921.db2.gz SQATZGOAZLBZIL-ZWKOTPCHSA-N 1 2 333.863 3.433 20 30 EGEDLO CC[C@H](C)C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000330976910 270045055 /nfs/dbraw/zinc/04/50/55/270045055.db2.gz KSUARBXHLABZNV-DLBZAZTESA-N 1 2 342.487 3.415 20 30 EGEDLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000442805045 270052126 /nfs/dbraw/zinc/05/21/26/270052126.db2.gz XJLRKNXJWMQTMQ-UHFFFAOYSA-N 1 2 337.423 3.200 20 30 EGEDLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000442805045 270052127 /nfs/dbraw/zinc/05/21/27/270052127.db2.gz XJLRKNXJWMQTMQ-UHFFFAOYSA-N 1 2 337.423 3.200 20 30 EGEDLO N#Cc1ccc(/C=C\C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000491092653 270057654 /nfs/dbraw/zinc/05/76/54/270057654.db2.gz MMZBIVWOOGGTIV-HJWRWDBZSA-N 1 2 346.434 3.273 20 30 EGEDLO C/C(Cl)=C\C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000528365889 270060134 /nfs/dbraw/zinc/06/01/34/270060134.db2.gz NBLXQUIVNSECFD-MKMNVTDBSA-N 1 2 326.831 3.371 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H]2Cc2ccccc2)c(C#N)c1C ZINC000533346082 270060882 /nfs/dbraw/zinc/06/08/82/270060882.db2.gz XCDPEZNSLPHYJG-INIZCTEOSA-N 1 2 339.464 3.492 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H]2Cc2ccccc2)c(C#N)c1C ZINC000533346082 270060884 /nfs/dbraw/zinc/06/08/84/270060884.db2.gz XCDPEZNSLPHYJG-INIZCTEOSA-N 1 2 339.464 3.492 20 30 EGEDLO CCC[N@H+](Cc1ccccc1O)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000157062916 266052823 /nfs/dbraw/zinc/05/28/23/266052823.db2.gz AIJOMTJHUVMRBG-LJQANCHMSA-N 1 2 338.407 3.390 20 30 EGEDLO CCC[N@@H+](Cc1ccccc1O)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000157062916 266052825 /nfs/dbraw/zinc/05/28/25/266052825.db2.gz AIJOMTJHUVMRBG-LJQANCHMSA-N 1 2 338.407 3.390 20 30 EGEDLO CC(C)CN(C(=O)Cc1cn2ccccc2[nH+]1)c1ccc(C#N)cc1 ZINC000524454699 266899503 /nfs/dbraw/zinc/89/95/03/266899503.db2.gz UIOUHLWJJWGRSV-UHFFFAOYSA-N 1 2 332.407 3.438 20 30 EGEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CCC1(F)F ZINC000289963095 267049058 /nfs/dbraw/zinc/04/90/58/267049058.db2.gz WSEMCAGWQINMSR-SNVBAGLBSA-N 1 2 327.762 3.127 20 30 EGEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CCC1(F)F ZINC000289963095 267049059 /nfs/dbraw/zinc/04/90/59/267049059.db2.gz WSEMCAGWQINMSR-SNVBAGLBSA-N 1 2 327.762 3.127 20 30 EGEDLO CC[N@H+](Cc1cc(C#N)ccc1OC)[C@H]1CCN(c2ccccc2)C1=O ZINC000437669620 267069879 /nfs/dbraw/zinc/06/98/79/267069879.db2.gz SMNBNKNGEBNXOH-IBGZPJMESA-N 1 2 349.434 3.194 20 30 EGEDLO CC[N@@H+](Cc1cc(C#N)ccc1OC)[C@H]1CCN(c2ccccc2)C1=O ZINC000437669620 267069881 /nfs/dbraw/zinc/06/98/81/267069881.db2.gz SMNBNKNGEBNXOH-IBGZPJMESA-N 1 2 349.434 3.194 20 30 EGEDLO CCOC(=O)C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)CC(C)C ZINC000437424604 267118073 /nfs/dbraw/zinc/11/80/73/267118073.db2.gz DWALPOGXDGSNFY-UHFFFAOYSA-N 1 2 340.370 3.181 20 30 EGEDLO CCOC(=O)C[N@H+](Cc1ccc(C#N)cc1OC(F)F)CC(C)C ZINC000437424604 267118075 /nfs/dbraw/zinc/11/80/75/267118075.db2.gz DWALPOGXDGSNFY-UHFFFAOYSA-N 1 2 340.370 3.181 20 30 EGEDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000287361717 267251168 /nfs/dbraw/zinc/25/11/68/267251168.db2.gz LXFVWHVFCHNQAA-LRDDRELGSA-N 1 2 333.407 3.185 20 30 EGEDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000287361717 267251169 /nfs/dbraw/zinc/25/11/69/267251169.db2.gz LXFVWHVFCHNQAA-LRDDRELGSA-N 1 2 333.407 3.185 20 30 EGEDLO Cc1cc(NC(=O)NCCSCc2ccccc2C#N)cc[nH+]1 ZINC000179827914 267344290 /nfs/dbraw/zinc/34/42/90/267344290.db2.gz PVBRIGFEIGYBFJ-UHFFFAOYSA-N 1 2 326.425 3.317 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425128856 268080754 /nfs/dbraw/zinc/08/07/54/268080754.db2.gz LBXHBZCLHVRZFP-AWEZNQCLSA-N 1 2 332.407 3.436 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c(C#N)c1C ZINC000420949198 268104979 /nfs/dbraw/zinc/10/49/79/268104979.db2.gz OMUJANVURPSHOY-LBPRGKRZSA-N 1 2 343.349 3.371 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)c(C#N)c1C ZINC000420949198 268104982 /nfs/dbraw/zinc/10/49/82/268104982.db2.gz OMUJANVURPSHOY-LBPRGKRZSA-N 1 2 343.349 3.371 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCc3ccc(O)cc3C2)c(OC(F)F)c1 ZINC000437895296 268223674 /nfs/dbraw/zinc/22/36/74/268223674.db2.gz IJVWUCJYBDQNHM-UHFFFAOYSA-N 1 2 330.334 3.424 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCc3ccc(O)cc3C2)c(OC(F)F)c1 ZINC000437895296 268223677 /nfs/dbraw/zinc/22/36/77/268223677.db2.gz IJVWUCJYBDQNHM-UHFFFAOYSA-N 1 2 330.334 3.424 20 30 EGEDLO N#Cc1cccc(/C=C\C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000491844842 268269193 /nfs/dbraw/zinc/26/91/93/268269193.db2.gz KEODESIJWVKAPO-FPLPWBNLSA-N 1 2 328.375 3.074 20 30 EGEDLO N#Cc1cccc(NC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000502039614 268279590 /nfs/dbraw/zinc/27/95/90/268279590.db2.gz AEUWLESCVPXEFP-UITAMQMPSA-N 1 2 346.434 3.421 20 30 EGEDLO N#Cc1cccc(OCCN2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000501621321 268284953 /nfs/dbraw/zinc/28/49/53/268284953.db2.gz RBRYCKTVWVDOIM-UITAMQMPSA-N 1 2 347.462 3.268 20 30 EGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000459402305 268290872 /nfs/dbraw/zinc/29/08/72/268290872.db2.gz FCCXUZDHFPHDCW-MRXNPFEDSA-N 1 2 347.378 3.263 20 30 EGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000459402305 268290873 /nfs/dbraw/zinc/29/08/73/268290873.db2.gz FCCXUZDHFPHDCW-MRXNPFEDSA-N 1 2 347.378 3.263 20 30 EGEDLO CC(C)[N@H+](CCS(=O)(=O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000058397234 307348672 /nfs/dbraw/zinc/34/86/72/307348672.db2.gz KAJZYOWONYLHPS-UHFFFAOYSA-N 1 2 342.464 3.243 20 30 EGEDLO CC(C)[N@@H+](CCS(=O)(=O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000058397234 307348673 /nfs/dbraw/zinc/34/86/73/307348673.db2.gz KAJZYOWONYLHPS-UHFFFAOYSA-N 1 2 342.464 3.243 20 30 EGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)/C=C/c1cccc(C#N)c1)C2 ZINC000112664136 307472705 /nfs/dbraw/zinc/47/27/05/307472705.db2.gz BAQMZVSPLJACNS-BQYQJAHWSA-N 1 2 334.423 3.013 20 30 EGEDLO Cc1cc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c(C)c[nH+]1 ZINC000535747854 314066822 /nfs/dbraw/zinc/06/68/22/314066822.db2.gz JMMPNSSALAIRMW-UHFFFAOYSA-N 1 2 340.452 3.043 20 30 EGEDLO N#Cc1cnc2ccc(Cl)cc2c1NCCCCn1cc[nH+]c1 ZINC000537604186 314194483 /nfs/dbraw/zinc/19/44/83/314194483.db2.gz ZOJRUVSMTSMOSN-UHFFFAOYSA-N 1 2 325.803 3.271 20 30 EGEDLO COC(=O)c1cccc(C[NH2+][C@@H](C)c2c(F)cccc2F)c1C#N ZINC000540327657 314374535 /nfs/dbraw/zinc/37/45/35/314374535.db2.gz QFXGZHKLRHUANG-NSHDSACASA-N 1 2 330.334 3.474 20 30 EGEDLO COCC[N@H+](CCC#N)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000072689802 454328632 /nfs/dbraw/zinc/32/86/32/454328632.db2.gz UKLHYAKLPVRENR-UHFFFAOYSA-N 1 2 344.242 3.184 20 30 EGEDLO COCC[N@@H+](CCC#N)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000072689802 454328639 /nfs/dbraw/zinc/32/86/39/454328639.db2.gz UKLHYAKLPVRENR-UHFFFAOYSA-N 1 2 344.242 3.184 20 30 EGEDLO CC[C@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1nc(C)cs1 ZINC000541626903 314476158 /nfs/dbraw/zinc/47/61/58/314476158.db2.gz IKACBDVBEFCIJD-HNNXBMFYSA-N 1 2 329.425 3.351 20 30 EGEDLO N#Cc1ccc(Cl)c(C(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000551903968 315176526 /nfs/dbraw/zinc/17/65/26/315176526.db2.gz LBBMFBWIOYHETL-UHFFFAOYSA-N 1 2 345.855 3.231 20 30 EGEDLO COc1cccc(C2([NH2+]Cc3nnc(-c4cccc(C#N)c4)o3)CC2)c1 ZINC000551989694 315185912 /nfs/dbraw/zinc/18/59/12/315185912.db2.gz HCYLBXMSWZGAIN-UHFFFAOYSA-N 1 2 346.390 3.396 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccnc2)c(C#N)c1C ZINC000553888314 315286882 /nfs/dbraw/zinc/28/68/82/315286882.db2.gz CSYYZIAZIFAFOE-INIZCTEOSA-N 1 2 340.452 3.407 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H]2c2cccnc2)c(C#N)c1C ZINC000553888314 315286885 /nfs/dbraw/zinc/28/68/85/315286885.db2.gz CSYYZIAZIFAFOE-INIZCTEOSA-N 1 2 340.452 3.407 20 30 EGEDLO Cc1ccc(-c2noc([C@H](C)[NH2+]Cc3ccc(C#N)cn3)n2)cc1F ZINC000554519628 315327012 /nfs/dbraw/zinc/32/70/12/315327012.db2.gz QTUHBXRZIQEXLE-LBPRGKRZSA-N 1 2 337.358 3.302 20 30 EGEDLO N#Cc1ccnc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c1Cl ZINC000557466814 315512599 /nfs/dbraw/zinc/51/25/99/315512599.db2.gz LGCBDFSMKWAQDW-QPJJXVBHSA-N 1 2 338.842 3.442 20 30 EGEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000559259249 315624212 /nfs/dbraw/zinc/62/42/12/315624212.db2.gz UBXQLXRHSPBOKA-UHFFFAOYSA-N 1 2 346.356 3.294 20 30 EGEDLO Cc1c[nH]c(C(C)(C)NC(=O)CCCCOc2cccc(C#N)c2)[nH+]1 ZINC000563286009 315992146 /nfs/dbraw/zinc/99/21/46/315992146.db2.gz IUDBKZGNSCHZQY-UHFFFAOYSA-N 1 2 340.427 3.190 20 30 EGEDLO Cc1csc(NC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)c1C#N ZINC000572733044 317384657 /nfs/dbraw/zinc/38/46/57/317384657.db2.gz XVQTXLAFWNRFLN-GFCCVEGCSA-N 1 2 329.429 3.277 20 30 EGEDLO N#CCOc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000264563881 455238342 /nfs/dbraw/zinc/23/83/42/455238342.db2.gz PGZUWAULXHQKIR-LJQANCHMSA-N 1 2 326.371 3.302 20 30 EGEDLO N#CCOc1ccc(C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000264563881 455238350 /nfs/dbraw/zinc/23/83/50/455238350.db2.gz PGZUWAULXHQKIR-LJQANCHMSA-N 1 2 326.371 3.302 20 30 EGEDLO C[C@@]1(C#N)CCCN(Cc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000612162719 460556460 /nfs/dbraw/zinc/55/64/60/460556460.db2.gz KEJQOLCDYGLRSK-HNNXBMFYSA-N 1 2 333.233 3.222 20 30 EGEDLO CN(CCC#N)c1ccc(C[N@H+](C)Cc2ncc(Cl)n2C)cc1 ZINC000181147275 455294487 /nfs/dbraw/zinc/29/44/87/455294487.db2.gz RVDKEOBGBXUXRL-UHFFFAOYSA-N 1 2 331.851 3.055 20 30 EGEDLO CN(CCC#N)c1ccc(C[N@@H+](C)Cc2ncc(Cl)n2C)cc1 ZINC000181147275 455294492 /nfs/dbraw/zinc/29/44/92/455294492.db2.gz RVDKEOBGBXUXRL-UHFFFAOYSA-N 1 2 331.851 3.055 20 30 EGEDLO COC(=O)C1CCN(c2ccc(-c3ccc(F)cc3C#N)c[nH+]2)CC1 ZINC000600790197 460606324 /nfs/dbraw/zinc/60/63/24/460606324.db2.gz XIAHIWSEWQZZGW-UHFFFAOYSA-N 1 2 339.370 3.149 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591149 453613953 /nfs/dbraw/zinc/61/39/53/453613953.db2.gz MRTYDNFPMLHNTQ-DGCLKSJQSA-N 1 2 325.334 3.160 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591149 453613958 /nfs/dbraw/zinc/61/39/58/453613958.db2.gz MRTYDNFPMLHNTQ-DGCLKSJQSA-N 1 2 325.334 3.160 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1cc(OC)cc(OC)c1)Cc1cccs1 ZINC000019540474 453657142 /nfs/dbraw/zinc/65/71/42/453657142.db2.gz ABVUVASVMTVBFN-UHFFFAOYSA-N 1 2 346.452 3.392 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1cc(OC)cc(OC)c1)Cc1cccs1 ZINC000019540474 453657146 /nfs/dbraw/zinc/65/71/46/453657146.db2.gz ABVUVASVMTVBFN-UHFFFAOYSA-N 1 2 346.452 3.392 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1C(=O)OC)Cc1cccs1 ZINC000025799926 453786599 /nfs/dbraw/zinc/78/65/99/453786599.db2.gz HDFTXZQQTFLDEG-UHFFFAOYSA-N 1 2 344.436 3.161 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccccc1C(=O)OC)Cc1cccs1 ZINC000025799926 453786602 /nfs/dbraw/zinc/78/66/02/453786602.db2.gz HDFTXZQQTFLDEG-UHFFFAOYSA-N 1 2 344.436 3.161 20 30 EGEDLO C[C@H]1CCc2ccccc2N1C(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000026328943 453797291 /nfs/dbraw/zinc/79/72/91/453797291.db2.gz IVHMFTANMRIGRV-INIZCTEOSA-N 1 2 333.435 3.358 20 30 EGEDLO C[C@H]1CCc2ccccc2N1C(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026328943 453797292 /nfs/dbraw/zinc/79/72/92/453797292.db2.gz IVHMFTANMRIGRV-INIZCTEOSA-N 1 2 333.435 3.358 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1nc2ccccc2s1 ZINC000027404226 453816173 /nfs/dbraw/zinc/81/61/73/453816173.db2.gz WVCKGBYSUXDFOS-UGSOOPFHSA-N 1 2 344.484 3.171 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000027404226 453816176 /nfs/dbraw/zinc/81/61/76/453816176.db2.gz WVCKGBYSUXDFOS-UGSOOPFHSA-N 1 2 344.484 3.171 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053815038 453898085 /nfs/dbraw/zinc/89/80/85/453898085.db2.gz LLLSWZLXVLOXRR-OAHLLOKOSA-N 1 2 347.418 3.380 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053815038 453898088 /nfs/dbraw/zinc/89/80/88/453898088.db2.gz LLLSWZLXVLOXRR-OAHLLOKOSA-N 1 2 347.418 3.380 20 30 EGEDLO COc1cc(C[N@H+](C)CCC#N)ccc1OCc1cccc(C#N)c1 ZINC000083218826 453944582 /nfs/dbraw/zinc/94/45/82/453944582.db2.gz XWWBSPLKKXHGFE-UHFFFAOYSA-N 1 2 335.407 3.491 20 30 EGEDLO COc1cc(C[N@@H+](C)CCC#N)ccc1OCc1cccc(C#N)c1 ZINC000083218826 453944585 /nfs/dbraw/zinc/94/45/85/453944585.db2.gz XWWBSPLKKXHGFE-UHFFFAOYSA-N 1 2 335.407 3.491 20 30 EGEDLO Cc1cc(=O)oc2cc(OCC[N@H+](CC#N)C3CCCC3)ccc12 ZINC000077318373 454090684 /nfs/dbraw/zinc/09/06/84/454090684.db2.gz JZCFAPKQJFZAFD-UHFFFAOYSA-N 1 2 326.396 3.248 20 30 EGEDLO Cc1cc(=O)oc2cc(OCC[N@@H+](CC#N)C3CCCC3)ccc12 ZINC000077318373 454090687 /nfs/dbraw/zinc/09/06/87/454090687.db2.gz JZCFAPKQJFZAFD-UHFFFAOYSA-N 1 2 326.396 3.248 20 30 EGEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1F)Cc1ccc(C#N)cc1 ZINC000046527235 454259725 /nfs/dbraw/zinc/25/97/25/454259725.db2.gz IUNNLNPWOUNXDI-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1F)Cc1ccc(C#N)cc1 ZINC000046527235 454259730 /nfs/dbraw/zinc/25/97/30/454259730.db2.gz IUNNLNPWOUNXDI-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCOC[C@@H]2C2CC2)cc1 ZINC000090009752 454262173 /nfs/dbraw/zinc/26/21/73/454262173.db2.gz MQORAYCVLSJOKF-MRXNPFEDSA-N 1 2 325.330 3.048 20 30 EGEDLO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCOC[C@@H]2C2CC2)cc1 ZINC000090009752 454262178 /nfs/dbraw/zinc/26/21/78/454262178.db2.gz MQORAYCVLSJOKF-MRXNPFEDSA-N 1 2 325.330 3.048 20 30 EGEDLO C=CC[N@H+](CC(=O)N1CCc2ccccc2C1)Cc1cccs1 ZINC000060942705 454321145 /nfs/dbraw/zinc/32/11/45/454321145.db2.gz QXIUDCGTCQXBKV-UHFFFAOYSA-N 1 2 326.465 3.321 20 30 EGEDLO C=CC[N@@H+](CC(=O)N1CCc2ccccc2C1)Cc1cccs1 ZINC000060942705 454321151 /nfs/dbraw/zinc/32/11/51/454321151.db2.gz QXIUDCGTCQXBKV-UHFFFAOYSA-N 1 2 326.465 3.321 20 30 EGEDLO C=CCOc1ccc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1OC ZINC000120736982 454340839 /nfs/dbraw/zinc/34/08/39/454340839.db2.gz PNECWSFOVHHBMX-HNNXBMFYSA-N 1 2 341.411 3.351 20 30 EGEDLO Cc1ncc(C[N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000047259478 454348690 /nfs/dbraw/zinc/34/86/90/454348690.db2.gz UVGFSAKIJXMOAC-UHFFFAOYSA-N 1 2 334.832 3.047 20 30 EGEDLO Cc1ncc(C[N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000047259478 454348692 /nfs/dbraw/zinc/34/86/92/454348692.db2.gz UVGFSAKIJXMOAC-UHFFFAOYSA-N 1 2 334.832 3.047 20 30 EGEDLO CCCCC[N@H+](CCO)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091069561 454376437 /nfs/dbraw/zinc/37/64/37/454376437.db2.gz YWLGTIQEPWKPQE-UHFFFAOYSA-N 1 2 326.444 3.037 20 30 EGEDLO CCCCC[N@@H+](CCO)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091069561 454376442 /nfs/dbraw/zinc/37/64/42/454376442.db2.gz YWLGTIQEPWKPQE-UHFFFAOYSA-N 1 2 326.444 3.037 20 30 EGEDLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000121138160 454397532 /nfs/dbraw/zinc/39/75/32/454397532.db2.gz PFIULJQXPPNJPI-UGSOOPFHSA-N 1 2 348.516 3.376 20 30 EGEDLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000121138160 454397536 /nfs/dbraw/zinc/39/75/36/454397536.db2.gz PFIULJQXPPNJPI-UGSOOPFHSA-N 1 2 348.516 3.376 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000048043316 454434489 /nfs/dbraw/zinc/43/44/89/454434489.db2.gz IOMAMAPGHUJYOJ-LIVBEALHSA-N 1 2 343.471 3.422 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000048043316 454434493 /nfs/dbraw/zinc/43/44/93/454434493.db2.gz IOMAMAPGHUJYOJ-LIVBEALHSA-N 1 2 343.471 3.422 20 30 EGEDLO Cc1cc(N2CCN(Cc3ccc(C#N)s3)CC2)nc(C(C)C)[nH+]1 ZINC000121736980 454470292 /nfs/dbraw/zinc/47/02/92/454470292.db2.gz CUGAWPUDJPBORJ-UHFFFAOYSA-N 1 2 341.484 3.164 20 30 EGEDLO C=CCc1cc(CNC(=O)Nc2cc[nH+]cc2C)cc(OC)c1OC ZINC000121982178 454501058 /nfs/dbraw/zinc/50/10/58/454501058.db2.gz LFWCAJRZSJQENS-UHFFFAOYSA-N 1 2 341.411 3.457 20 30 EGEDLO N#Cc1ccccc1-c1ccccc1C(=O)NCCNc1cccc[nH+]1 ZINC000073970982 454509551 /nfs/dbraw/zinc/50/95/51/454509551.db2.gz IEARLUOPMIGOED-UHFFFAOYSA-N 1 2 342.402 3.462 20 30 EGEDLO C#CC[N@H+](Cc1cc(-c2ccccc2)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000092194554 454534748 /nfs/dbraw/zinc/53/47/48/454534748.db2.gz FMSVBBIEJWUUGK-QGZVFWFLSA-N 1 2 345.489 3.037 20 30 EGEDLO C#CC[N@@H+](Cc1cc(-c2ccccc2)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000092194554 454534752 /nfs/dbraw/zinc/53/47/52/454534752.db2.gz FMSVBBIEJWUUGK-QGZVFWFLSA-N 1 2 345.489 3.037 20 30 EGEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)C3(C#N)CCC3)CC2)cc1 ZINC000134502712 454551943 /nfs/dbraw/zinc/55/19/43/454551943.db2.gz DDWQMVOHVDKRES-UHFFFAOYSA-N 1 2 325.456 3.148 20 30 EGEDLO CC[N@@H+](CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)C[C@H](C)C#N ZINC000049982443 454566881 /nfs/dbraw/zinc/56/68/81/454566881.db2.gz APGIQOOUGCZHGL-CVEARBPZSA-N 1 2 327.472 3.224 20 30 EGEDLO CC[N@H+](CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)C[C@H](C)C#N ZINC000049982443 454566887 /nfs/dbraw/zinc/56/68/87/454566887.db2.gz APGIQOOUGCZHGL-CVEARBPZSA-N 1 2 327.472 3.224 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000104667157 454593043 /nfs/dbraw/zinc/59/30/43/454593043.db2.gz IRXOWCPKCZUNEP-OAQYLSRUSA-N 1 2 337.467 3.318 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000104667157 454593047 /nfs/dbraw/zinc/59/30/47/454593047.db2.gz IRXOWCPKCZUNEP-OAQYLSRUSA-N 1 2 337.467 3.318 20 30 EGEDLO C[C@@H](/N=C/c1cc(Cl)cc(Cl)c1O)[C@H](C)[NH+]1CCOCC1 ZINC000105356567 454635766 /nfs/dbraw/zinc/63/57/66/454635766.db2.gz VKPFJJLFWBQVJX-PUTDFEQRSA-N 1 2 331.243 3.227 20 30 EGEDLO C[C@H]([C@H](C)/N=C/c1cc(Cl)cc(Cl)c1O)[NH+]1CCOCC1 ZINC000105356556 454636493 /nfs/dbraw/zinc/63/64/93/454636493.db2.gz VKPFJJLFWBQVJX-OVDLZUANSA-N 1 2 331.243 3.227 20 30 EGEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000051766877 454637272 /nfs/dbraw/zinc/63/72/72/454637272.db2.gz PFHXUTNXMOUWEZ-UHFFFAOYSA-N 1 2 344.846 3.197 20 30 EGEDLO CN(C(=O)C[N@H+](CCC#N)CC1CC1)[C@@H]1CCCc2ccccc21 ZINC000081060967 454679484 /nfs/dbraw/zinc/67/94/84/454679484.db2.gz ARZMERZPEIVYGT-LJQANCHMSA-N 1 2 325.456 3.148 20 30 EGEDLO CN(C(=O)C[N@@H+](CCC#N)CC1CC1)[C@@H]1CCCc2ccccc21 ZINC000081060967 454679488 /nfs/dbraw/zinc/67/94/88/454679488.db2.gz ARZMERZPEIVYGT-LJQANCHMSA-N 1 2 325.456 3.148 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)cc1OC ZINC000093841562 454739905 /nfs/dbraw/zinc/73/99/05/454739905.db2.gz VJJPWNAOSPOKST-LJQANCHMSA-N 1 2 329.396 3.427 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H](c3ccco3)C2)cc1OC ZINC000093841562 454739909 /nfs/dbraw/zinc/73/99/09/454739909.db2.gz VJJPWNAOSPOKST-LJQANCHMSA-N 1 2 329.396 3.427 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccncc2)c(C#N)c1C ZINC000125422831 454820903 /nfs/dbraw/zinc/82/09/03/454820903.db2.gz FHJWITVPCVAURM-INIZCTEOSA-N 1 2 340.452 3.407 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H]2c2ccncc2)c(C#N)c1C ZINC000125422831 454820906 /nfs/dbraw/zinc/82/09/06/454820906.db2.gz FHJWITVPCVAURM-INIZCTEOSA-N 1 2 340.452 3.407 20 30 EGEDLO C=CCOc1ccccc1CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000111030367 454855654 /nfs/dbraw/zinc/85/56/54/454855654.db2.gz MJHIGSVABQUVHM-UHFFFAOYSA-N 1 2 347.418 3.426 20 30 EGEDLO C=CC1CCN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000111463749 454866107 /nfs/dbraw/zinc/86/61/07/454866107.db2.gz JMGAXUPGFFEAJF-UHFFFAOYSA-N 1 2 338.455 3.082 20 30 EGEDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000266957983 455483290 /nfs/dbraw/zinc/48/32/90/455483290.db2.gz KSHHMLIHVKNVBU-HOTGVXAUSA-N 1 2 339.439 3.237 20 30 EGEDLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000266957983 455483295 /nfs/dbraw/zinc/48/32/95/455483295.db2.gz KSHHMLIHVKNVBU-HOTGVXAUSA-N 1 2 339.439 3.237 20 30 EGEDLO O=C(Nc1cccc(C#Cc2ccccc2)c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000151306051 454966309 /nfs/dbraw/zinc/96/63/09/454966309.db2.gz YGYLJDGBRBUBRC-LJQANCHMSA-N 1 2 341.414 3.484 20 30 EGEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1nnc(-c2ccccc2)s1 ZINC000128079540 455024736 /nfs/dbraw/zinc/02/47/36/455024736.db2.gz CSRKGKGFDZUNPL-GFCCVEGCSA-N 1 2 334.445 3.055 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1cccnc1 ZINC000155790044 455045711 /nfs/dbraw/zinc/04/57/11/455045711.db2.gz NUNOONIQYYHYQO-LBPRGKRZSA-N 1 2 328.803 3.066 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1cccnc1 ZINC000155790044 455045715 /nfs/dbraw/zinc/04/57/15/455045715.db2.gz NUNOONIQYYHYQO-LBPRGKRZSA-N 1 2 328.803 3.066 20 30 EGEDLO C=CCC[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000158692293 455322782 /nfs/dbraw/zinc/32/27/82/455322782.db2.gz KLYBGBMUCUQUKP-LNLFQRSKSA-N 1 2 345.487 3.102 20 30 EGEDLO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H](C)C#N ZINC000183814210 455330068 /nfs/dbraw/zinc/33/00/68/455330068.db2.gz DBZCYAMOHPTOKR-LLVKDONJSA-N 1 2 333.233 3.193 20 30 EGEDLO CC1(C)C[NH+](CC(=O)Nc2ccccc2SCC#N)CC(C)(C)O1 ZINC000190538784 455339322 /nfs/dbraw/zinc/33/93/22/455339322.db2.gz CPNZQWQRRLZUGG-UHFFFAOYSA-N 1 2 347.484 3.130 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2nccs2)c1 ZINC000184405799 455377886 /nfs/dbraw/zinc/37/78/86/455377886.db2.gz NAOAFLISKIJMOW-HNNXBMFYSA-N 1 2 342.468 3.357 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](CCC(=O)c3ccccc3)CC2)c(F)c1 ZINC000182191111 455457498 /nfs/dbraw/zinc/45/74/98/455457498.db2.gz NSCAOQXAAODTKA-UHFFFAOYSA-N 1 2 337.398 3.092 20 30 EGEDLO Cc1nc2ccccn2c1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000160521564 455470120 /nfs/dbraw/zinc/47/01/20/455470120.db2.gz MPIVQDBYPGCBRW-LJQANCHMSA-N 1 2 345.450 3.025 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCSC[C@H]1C ZINC000247012153 455543311 /nfs/dbraw/zinc/54/33/11/455543311.db2.gz JATNAOCYTJLMBM-ZIAGYGMSSA-N 1 2 349.525 3.314 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCSC[C@H]1C ZINC000247012153 455543314 /nfs/dbraw/zinc/54/33/14/455543314.db2.gz JATNAOCYTJLMBM-ZIAGYGMSSA-N 1 2 349.525 3.314 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCSC[C@@H]1C ZINC000247117787 455562232 /nfs/dbraw/zinc/56/22/32/455562232.db2.gz PNEAGJIJFAPVCR-UONOGXRCSA-N 1 2 349.525 3.457 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCSC[C@@H]1C ZINC000247117787 455562234 /nfs/dbraw/zinc/56/22/34/455562234.db2.gz PNEAGJIJFAPVCR-UONOGXRCSA-N 1 2 349.525 3.457 20 30 EGEDLO CCC1CCC([NH2+]Cc2ccc(OCC#N)cc2)(C(=O)OC)CC1 ZINC000268024942 455582279 /nfs/dbraw/zinc/58/22/79/455582279.db2.gz KMDPPDHGVAQYBS-UHFFFAOYSA-N 1 2 330.428 3.191 20 30 EGEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000185619915 455585937 /nfs/dbraw/zinc/58/59/37/455585937.db2.gz NEMDNUUFVRHHAG-RBUKOAKNSA-N 1 2 342.826 3.319 20 30 EGEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000185619915 455585939 /nfs/dbraw/zinc/58/59/39/455585939.db2.gz NEMDNUUFVRHHAG-RBUKOAKNSA-N 1 2 342.826 3.319 20 30 EGEDLO CCC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000268329570 455652735 /nfs/dbraw/zinc/65/27/35/455652735.db2.gz NDQQMJRNZRYZKY-UHFFFAOYSA-N 1 2 325.456 3.173 20 30 EGEDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3C)CC2)c(C)o1 ZINC000186175846 455710456 /nfs/dbraw/zinc/71/04/56/455710456.db2.gz MACKJZZRWQQQRK-UHFFFAOYSA-N 1 2 337.423 3.035 20 30 EGEDLO C#CCOc1ccccc1C[NH2+]Cc1cc(COC(C)(C)C)on1 ZINC000186417488 455764704 /nfs/dbraw/zinc/76/47/04/455764704.db2.gz FVFUYAYYHZMSTC-UHFFFAOYSA-N 1 2 328.412 3.292 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000249743993 455772373 /nfs/dbraw/zinc/77/23/73/455772373.db2.gz YYDLKXLQDOECAX-PBHICJAKSA-N 1 2 329.444 3.130 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000249743993 455772380 /nfs/dbraw/zinc/77/23/80/455772380.db2.gz YYDLKXLQDOECAX-PBHICJAKSA-N 1 2 329.444 3.130 20 30 EGEDLO N#CC1(CCC[N@@H+]2Cc3cnn(-c4ccccc4)c3C2)CCOCC1 ZINC000293133706 455775518 /nfs/dbraw/zinc/77/55/18/455775518.db2.gz NAADQUQPUSJUAS-UHFFFAOYSA-N 1 2 336.439 3.288 20 30 EGEDLO N#CC1(CCC[N@H+]2Cc3cnn(-c4ccccc4)c3C2)CCOCC1 ZINC000293133706 455775521 /nfs/dbraw/zinc/77/55/21/455775521.db2.gz NAADQUQPUSJUAS-UHFFFAOYSA-N 1 2 336.439 3.288 20 30 EGEDLO CO[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000252348602 455803480 /nfs/dbraw/zinc/80/34/80/455803480.db2.gz CUYBJEPOWMLLDF-LSDHHAIUSA-N 1 2 347.484 3.130 20 30 EGEDLO CO[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000252348602 455803486 /nfs/dbraw/zinc/80/34/86/455803486.db2.gz CUYBJEPOWMLLDF-LSDHHAIUSA-N 1 2 347.484 3.130 20 30 EGEDLO C=CCn1c(SCc2[nH+]ccn2C)nnc1-c1ccccc1F ZINC000194344129 455831070 /nfs/dbraw/zinc/83/10/70/455831070.db2.gz XIEITQURTIIYGG-UHFFFAOYSA-N 1 2 329.404 3.296 20 30 EGEDLO CCn1cc[nH+]c1CNc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000295028117 455835486 /nfs/dbraw/zinc/83/54/86/455835486.db2.gz RIGJZSCZAIUYSN-UHFFFAOYSA-N 1 2 334.427 3.312 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+]2CCC=C(c3ccco3)C2)c(C#N)c1C ZINC000285440026 455846904 /nfs/dbraw/zinc/84/69/04/455846904.db2.gz XLKKFGFWTIXILP-UHFFFAOYSA-N 1 2 325.368 3.089 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+]2CCC=C(c3ccco3)C2)c(C#N)c1C ZINC000285440026 455846906 /nfs/dbraw/zinc/84/69/06/455846906.db2.gz XLKKFGFWTIXILP-UHFFFAOYSA-N 1 2 325.368 3.089 20 30 EGEDLO C=C(C)[C@H](CC(=O)NCc1ccc(N2CCCCC2)[nH+]c1)OCC ZINC000270007422 455856024 /nfs/dbraw/zinc/85/60/24/455856024.db2.gz DGVKPKPHXITCCB-KRWDZBQOSA-N 1 2 331.460 3.059 20 30 EGEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(CC#N)cc1 ZINC000270313457 455926836 /nfs/dbraw/zinc/92/68/36/455926836.db2.gz IDUHCIYCDYDTPV-UHFFFAOYSA-N 1 2 349.434 3.146 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCc1cccc(C#N)c1 ZINC000280325341 455947314 /nfs/dbraw/zinc/94/73/14/455947314.db2.gz FAFIJCQEDCCAFY-KRWDZBQOSA-N 1 2 337.427 3.211 20 30 EGEDLO C[C@H](C(=O)Nc1nc2ccccc2s1)[NH+]1CCC(C)(C#N)CC1 ZINC000272609459 456013166 /nfs/dbraw/zinc/01/31/66/456013166.db2.gz SDXHTSQLIXJCDM-GFCCVEGCSA-N 1 2 328.441 3.249 20 30 EGEDLO C#CC(C)(C)[N@H+](C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000286308494 456021549 /nfs/dbraw/zinc/02/15/49/456021549.db2.gz VZPSACKDEPVAGK-UHFFFAOYSA-N 1 2 345.187 3.009 20 30 EGEDLO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000286308494 456021552 /nfs/dbraw/zinc/02/15/52/456021552.db2.gz VZPSACKDEPVAGK-UHFFFAOYSA-N 1 2 345.187 3.009 20 30 EGEDLO N#CC1(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)CCCCC1 ZINC000214028315 456025260 /nfs/dbraw/zinc/02/52/60/456025260.db2.gz ZQCJJMKYYPBQRR-YFHOEESVSA-N 1 2 337.467 3.318 20 30 EGEDLO CC(C)(C#N)c1ccc(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)cc1 ZINC000188578473 456088271 /nfs/dbraw/zinc/08/82/71/456088271.db2.gz REHUBEQKQLFIPV-SFHVURJKSA-N 1 2 341.455 3.070 20 30 EGEDLO CC(C)(C#N)c1ccc(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)cc1 ZINC000188578473 456088277 /nfs/dbraw/zinc/08/82/77/456088277.db2.gz REHUBEQKQLFIPV-SFHVURJKSA-N 1 2 341.455 3.070 20 30 EGEDLO CC1(C)C[N@H+](CC(=O)Nc2sccc2C#N)Cc2ccccc2O1 ZINC000289050877 456113232 /nfs/dbraw/zinc/11/32/32/456113232.db2.gz QLLIQSXSNXUUMY-UHFFFAOYSA-N 1 2 341.436 3.231 20 30 EGEDLO CC1(C)C[N@@H+](CC(=O)Nc2sccc2C#N)Cc2ccccc2O1 ZINC000289050877 456113240 /nfs/dbraw/zinc/11/32/40/456113240.db2.gz QLLIQSXSNXUUMY-UHFFFAOYSA-N 1 2 341.436 3.231 20 30 EGEDLO C[C@H]1COc2ccccc2C[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000272940712 456119501 /nfs/dbraw/zinc/11/95/01/456119501.db2.gz LCHHFSHUCREOTQ-AWEZNQCLSA-N 1 2 346.390 3.391 20 30 EGEDLO C[C@H]1COc2ccccc2C[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000272940712 456119505 /nfs/dbraw/zinc/11/95/05/456119505.db2.gz LCHHFSHUCREOTQ-AWEZNQCLSA-N 1 2 346.390 3.391 20 30 EGEDLO COc1cc2nc(N[C@H](C)c3cccc(C#N)c3)[nH+]c(N)c2cc1OC ZINC000301456986 456120669 /nfs/dbraw/zinc/12/06/69/456120669.db2.gz SGMXWCZFBDGTBE-LLVKDONJSA-N 1 2 349.394 3.274 20 30 EGEDLO CC1(C)C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@H]1[C@@H]1CCCO1 ZINC000289370853 456123770 /nfs/dbraw/zinc/12/37/70/456123770.db2.gz AVCPGUCQCSIZFP-RDJZCZTQSA-N 1 2 347.846 3.040 20 30 EGEDLO CC1(C)C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@H]1[C@@H]1CCCO1 ZINC000289370853 456123772 /nfs/dbraw/zinc/12/37/72/456123772.db2.gz AVCPGUCQCSIZFP-RDJZCZTQSA-N 1 2 347.846 3.040 20 30 EGEDLO COc1cc(C[N@H+](C)C[C@H](C)C#N)ccc1OCc1ccncc1 ZINC000271142307 456138797 /nfs/dbraw/zinc/13/87/97/456138797.db2.gz VULBKPLNMTVEKA-OAHLLOKOSA-N 1 2 325.412 3.261 20 30 EGEDLO COc1cc(C[N@@H+](C)C[C@H](C)C#N)ccc1OCc1ccncc1 ZINC000271142307 456138801 /nfs/dbraw/zinc/13/88/01/456138801.db2.gz VULBKPLNMTVEKA-OAHLLOKOSA-N 1 2 325.412 3.261 20 30 EGEDLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Br)s1 ZINC000273629918 456242460 /nfs/dbraw/zinc/24/24/60/456242460.db2.gz SAVFCTJYYAEAKP-MRVPVSSYSA-N 1 2 337.246 3.332 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1N(c2ncc(Br)cc2C#N)CC1(C)C ZINC000333704188 456252860 /nfs/dbraw/zinc/25/28/60/456252860.db2.gz OQTQOAAPPZIOIR-LBPRGKRZSA-N 1 2 346.232 3.037 20 30 EGEDLO C#C[C@@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(C)C ZINC000297633605 456267489 /nfs/dbraw/zinc/26/74/89/456267489.db2.gz CPKIPURUAFNJBI-QGZVFWFLSA-N 1 2 334.423 3.381 20 30 EGEDLO CN(C(=O)CCc1ccc(C#N)cc1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352788524 456310325 /nfs/dbraw/zinc/31/03/25/456310325.db2.gz KPHBQXKFLFOUFP-FQEVSTJZSA-N 1 2 344.418 3.462 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)N(CC)c1ccccc1)Cc1ccc(CO)o1 ZINC000352802677 456321674 /nfs/dbraw/zinc/32/16/74/456321674.db2.gz MVBAGGOSLBYRFX-UHFFFAOYSA-N 1 2 342.439 3.203 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)N(CC)c1ccccc1)Cc1ccc(CO)o1 ZINC000352802677 456321684 /nfs/dbraw/zinc/32/16/84/456321684.db2.gz MVBAGGOSLBYRFX-UHFFFAOYSA-N 1 2 342.439 3.203 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)N(CC)C1CCCCC1)Cc1ccc(CO)o1 ZINC000352802627 456322179 /nfs/dbraw/zinc/32/21/79/456322179.db2.gz MFTDYIFPSVJPBE-UHFFFAOYSA-N 1 2 348.487 3.331 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)N(CC)C1CCCCC1)Cc1ccc(CO)o1 ZINC000352802627 456322185 /nfs/dbraw/zinc/32/21/85/456322185.db2.gz MFTDYIFPSVJPBE-UHFFFAOYSA-N 1 2 348.487 3.331 20 30 EGEDLO Cc1ccc(C#N)c(N2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)n1 ZINC000342942271 456328601 /nfs/dbraw/zinc/32/86/01/456328601.db2.gz ZOZGFBAYEHTYLF-UHFFFAOYSA-N 1 2 333.370 3.149 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ncc(-c3ccccc3)s2)C1=O ZINC000337226109 456340187 /nfs/dbraw/zinc/34/01/87/456340187.db2.gz PAAKCICTEVXIGC-HNNXBMFYSA-N 1 2 327.453 3.029 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ncc(-c3ccccc3)s2)C1=O ZINC000337226109 456340193 /nfs/dbraw/zinc/34/01/93/456340193.db2.gz PAAKCICTEVXIGC-HNNXBMFYSA-N 1 2 327.453 3.029 20 30 EGEDLO N#Cc1ccc(CN(C(=O)NCc2cn3ccccc3[nH+]2)C2CC2)cc1 ZINC000340350191 456408037 /nfs/dbraw/zinc/40/80/37/456408037.db2.gz HGVGFPKJNDXMDA-UHFFFAOYSA-N 1 2 345.406 3.080 20 30 EGEDLO N#Cc1c(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)n[nH]c1C1CC1 ZINC000290745187 456419411 /nfs/dbraw/zinc/41/94/11/456419411.db2.gz ZBCNLONKAMVJOJ-QGZVFWFLSA-N 1 2 349.438 3.152 20 30 EGEDLO N#Cc1c(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)n[nH]c1C1CC1 ZINC000290745187 456419414 /nfs/dbraw/zinc/41/94/14/456419414.db2.gz ZBCNLONKAMVJOJ-QGZVFWFLSA-N 1 2 349.438 3.152 20 30 EGEDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(C#N)cs2)Cc2ccccc21 ZINC000352957031 456424752 /nfs/dbraw/zinc/42/47/52/456424752.db2.gz MOJJAUYUXHOQEQ-QGZVFWFLSA-N 1 2 326.421 3.282 20 30 EGEDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)Cc2ccccc21 ZINC000352957031 456424761 /nfs/dbraw/zinc/42/47/61/456424761.db2.gz MOJJAUYUXHOQEQ-QGZVFWFLSA-N 1 2 326.421 3.282 20 30 EGEDLO C=CCN(CCc1ccccc1)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000343272791 456500201 /nfs/dbraw/zinc/50/02/01/456500201.db2.gz VSFQTMAXWVPPPX-UHFFFAOYSA-N 1 2 336.426 3.221 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000348239023 456561963 /nfs/dbraw/zinc/56/19/63/456561963.db2.gz PAFZTPPZNSQUFS-RVKKMQEKSA-N 1 2 348.512 3.151 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000348239023 456561968 /nfs/dbraw/zinc/56/19/68/456561968.db2.gz PAFZTPPZNSQUFS-RVKKMQEKSA-N 1 2 348.512 3.151 20 30 EGEDLO CC(C)(C)C(=O)N1CC[N@H+](Cc2cc(C#N)ccc2F)C(C)(C)C1 ZINC000343384627 456579389 /nfs/dbraw/zinc/57/93/89/456579389.db2.gz KSXTZMLASASXOT-UHFFFAOYSA-N 1 2 331.435 3.166 20 30 EGEDLO CC(C)(C)C(=O)N1CC[N@@H+](Cc2cc(C#N)ccc2F)C(C)(C)C1 ZINC000343384627 456579394 /nfs/dbraw/zinc/57/93/94/456579394.db2.gz KSXTZMLASASXOT-UHFFFAOYSA-N 1 2 331.435 3.166 20 30 EGEDLO CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000340663035 456608653 /nfs/dbraw/zinc/60/86/53/456608653.db2.gz QMBQRQOZYLHEGV-UHFFFAOYSA-N 1 2 330.391 3.075 20 30 EGEDLO N#Cc1cnc(N2CCC(CCCn3cc[nH+]c3)CC2)c(Cl)c1 ZINC000340775528 456679434 /nfs/dbraw/zinc/67/94/34/456679434.db2.gz IIHWSFPACKSNBI-UHFFFAOYSA-N 1 2 329.835 3.500 20 30 EGEDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)Cc2ccccc21 ZINC000340889302 456742716 /nfs/dbraw/zinc/74/27/16/456742716.db2.gz STMGWYZHRBASLK-GOSISDBHSA-N 1 2 338.382 3.360 20 30 EGEDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)Cc2ccccc21 ZINC000340889302 456742724 /nfs/dbraw/zinc/74/27/24/456742724.db2.gz STMGWYZHRBASLK-GOSISDBHSA-N 1 2 338.382 3.360 20 30 EGEDLO O=C(NC[C@H]1CCCC(F)(F)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000328715069 456744116 /nfs/dbraw/zinc/74/41/16/456744116.db2.gz OGWUABIJXUZHOX-LBPRGKRZSA-N 1 2 326.391 3.329 20 30 EGEDLO O=C(NC[C@H]1CCCC(F)(F)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000328715069 456744122 /nfs/dbraw/zinc/74/41/22/456744122.db2.gz OGWUABIJXUZHOX-LBPRGKRZSA-N 1 2 326.391 3.329 20 30 EGEDLO Cc1cc(NCc2nc(-c3cccc(C#N)c3)c[nH]2)nc(C(C)C)[nH+]1 ZINC000340893230 456745420 /nfs/dbraw/zinc/74/54/20/456745420.db2.gz KKEFHPXZSXPFMH-UHFFFAOYSA-N 1 2 332.411 3.204 20 30 EGEDLO CC[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)C[C@H](C)[S@]1=O ZINC000348542844 456751484 /nfs/dbraw/zinc/75/14/84/456751484.db2.gz DWHOQEIUTYQTAA-TUVUNVSASA-N 1 2 334.485 3.101 20 30 EGEDLO CC[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)C[C@H](C)[S@]1=O ZINC000348542844 456751492 /nfs/dbraw/zinc/75/14/92/456751492.db2.gz DWHOQEIUTYQTAA-TUVUNVSASA-N 1 2 334.485 3.101 20 30 EGEDLO Cc1ccccc1N1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000340912703 456757767 /nfs/dbraw/zinc/75/77/67/456757767.db2.gz SFFNSTMZNCOTPX-UHFFFAOYSA-N 1 2 330.435 3.442 20 30 EGEDLO O=C(C[N@@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1)NC(C1CC1)C1CC1 ZINC000328795778 456763342 /nfs/dbraw/zinc/76/33/42/456763342.db2.gz CPNHQDBWUZTJCL-SJORKVTESA-N 1 2 332.419 3.079 20 30 EGEDLO O=C(C[N@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1)NC(C1CC1)C1CC1 ZINC000328795778 456763350 /nfs/dbraw/zinc/76/33/50/456763350.db2.gz CPNHQDBWUZTJCL-SJORKVTESA-N 1 2 332.419 3.079 20 30 EGEDLO CC[C@@H](C(=O)Nc1ccc(N2CCCC2)cn1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000328792752 456763527 /nfs/dbraw/zinc/76/35/27/456763527.db2.gz ROGYCMDJYVQSGT-IRXDYDNUSA-N 1 2 346.475 3.159 20 30 EGEDLO CC[C@@H](C(=O)Nc1ccc(N2CCCC2)cn1)[N@H+]1CCO[C@@H](CC)C1 ZINC000328792752 456763532 /nfs/dbraw/zinc/76/35/32/456763532.db2.gz ROGYCMDJYVQSGT-IRXDYDNUSA-N 1 2 346.475 3.159 20 30 EGEDLO COC[C@H]1C[N@H+](CC(=O)NC2(c3ccccc3)CCC2)CC(C)(C)O1 ZINC000328893790 456786917 /nfs/dbraw/zinc/78/69/17/456786917.db2.gz ALANEBBHSUCNSZ-QGZVFWFLSA-N 1 2 346.471 3.148 20 30 EGEDLO COC[C@H]1C[N@@H+](CC(=O)NC2(c3ccccc3)CCC2)CC(C)(C)O1 ZINC000328893790 456786921 /nfs/dbraw/zinc/78/69/21/456786921.db2.gz ALANEBBHSUCNSZ-QGZVFWFLSA-N 1 2 346.471 3.148 20 30 EGEDLO C[C@@](C#N)(NC(=O)C[NH+]1CC(c2nc3ccccc3s2)C1)C1CC1 ZINC000328915977 456790863 /nfs/dbraw/zinc/79/08/63/456790863.db2.gz RBYVPWMOACRULV-SFHVURJKSA-N 1 2 340.452 3.344 20 30 EGEDLO C[C@H](C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1)[NH+]1CCSCC1 ZINC000328924323 456792396 /nfs/dbraw/zinc/79/23/96/456792396.db2.gz DISKMYVWWQLZGC-TZMCWYRMSA-N 1 2 333.457 3.156 20 30 EGEDLO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CCOCC12CCCC2 ZINC000328944201 456796181 /nfs/dbraw/zinc/79/61/81/456796181.db2.gz URPGOIWFJCLRNH-HUUCEWRRSA-N 1 2 337.464 3.081 20 30 EGEDLO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CCOCC12CCCC2 ZINC000328944201 456796188 /nfs/dbraw/zinc/79/61/88/456796188.db2.gz URPGOIWFJCLRNH-HUUCEWRRSA-N 1 2 337.464 3.081 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@H](C)C1)C1CCOCC1 ZINC000328940523 456797222 /nfs/dbraw/zinc/79/72/22/456797222.db2.gz HRAOHIQNMWBBJP-GOEBONIOSA-N 1 2 334.464 3.017 20 30 EGEDLO Cc1cc(NC(=O)N2CCC(=O)[C@@H](C)C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000328966031 456802630 /nfs/dbraw/zinc/80/26/30/456802630.db2.gz MQAINAYKTNYORV-GJZGRUSLSA-N 1 2 344.459 3.225 20 30 EGEDLO CC(C)c1ccccc1NC(=O)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000328964466 456803139 /nfs/dbraw/zinc/80/31/39/456803139.db2.gz LXMMCZDQYIBSGE-QXAKKESOSA-N 1 2 346.471 3.260 20 30 EGEDLO CC(C)c1ccccc1NC(=O)C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000328964466 456803142 /nfs/dbraw/zinc/80/31/42/456803142.db2.gz LXMMCZDQYIBSGE-QXAKKESOSA-N 1 2 346.471 3.260 20 30 EGEDLO C=CC[C@H](CC)NC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000344252170 456810133 /nfs/dbraw/zinc/81/01/33/456810133.db2.gz AVKLKZHYYGHLLL-KRWDZBQOSA-N 1 2 330.476 3.472 20 30 EGEDLO CC(=O)N(c1nc(C[NH2+]CCCC#N)cs1)c1ccc(F)cc1 ZINC000344332736 456817267 /nfs/dbraw/zinc/81/72/67/456817267.db2.gz ZKJPJGHKDRCQKH-UHFFFAOYSA-N 1 2 332.404 3.360 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCCC[C@@H]1C)C1CCOCC1 ZINC000329204314 456853865 /nfs/dbraw/zinc/85/38/65/456853865.db2.gz DBBVCBZTVJDJCB-GOEBONIOSA-N 1 2 334.464 3.159 20 30 EGEDLO CC(C)C[C@@H]1C[C@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CCO1 ZINC000329319454 456871889 /nfs/dbraw/zinc/87/18/89/456871889.db2.gz DQMFCUHWUTUJIW-KBAYOESNSA-N 1 2 338.492 3.180 20 30 EGEDLO CC(C)C[C@@H]1C[C@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CCO1 ZINC000329319454 456871893 /nfs/dbraw/zinc/87/18/93/456871893.db2.gz DQMFCUHWUTUJIW-KBAYOESNSA-N 1 2 338.492 3.180 20 30 EGEDLO CCN1CCOC[C@@H]1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000329406353 456885742 /nfs/dbraw/zinc/88/57/42/456885742.db2.gz XGRVBZQCQXMRHH-QGZVFWFLSA-N 1 2 342.443 3.071 20 30 EGEDLO Cc1nnc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc(F)c3)C2)[nH]1 ZINC000329433898 456889884 /nfs/dbraw/zinc/88/98/84/456889884.db2.gz JAYRGEJZANMRDV-AAEUAGOBSA-N 1 2 331.395 3.108 20 30 EGEDLO Cc1nnc([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc(F)c3)C2)[nH]1 ZINC000329433898 456889887 /nfs/dbraw/zinc/88/98/87/456889887.db2.gz JAYRGEJZANMRDV-AAEUAGOBSA-N 1 2 331.395 3.108 20 30 EGEDLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc(F)c3)C2)n1 ZINC000329433898 456889891 /nfs/dbraw/zinc/88/98/91/456889891.db2.gz JAYRGEJZANMRDV-AAEUAGOBSA-N 1 2 331.395 3.108 20 30 EGEDLO Cc1n[nH]c([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc(F)c3)C2)n1 ZINC000329433898 456889892 /nfs/dbraw/zinc/88/98/92/456889892.db2.gz JAYRGEJZANMRDV-AAEUAGOBSA-N 1 2 331.395 3.108 20 30 EGEDLO Cc1nc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc(F)c3)C2)n[nH]1 ZINC000329433898 456889895 /nfs/dbraw/zinc/88/98/95/456889895.db2.gz JAYRGEJZANMRDV-AAEUAGOBSA-N 1 2 331.395 3.108 20 30 EGEDLO Cc1nc([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc(F)c3)C2)n[nH]1 ZINC000329433898 456889897 /nfs/dbraw/zinc/88/98/97/456889897.db2.gz JAYRGEJZANMRDV-AAEUAGOBSA-N 1 2 331.395 3.108 20 30 EGEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCOCC2(CC2)C1 ZINC000329446288 456891706 /nfs/dbraw/zinc/89/17/06/456891706.db2.gz LCJKRDBCVAHZAK-UHFFFAOYSA-N 1 2 331.441 3.003 20 30 EGEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCOCC2(CC2)C1 ZINC000329446288 456891708 /nfs/dbraw/zinc/89/17/08/456891708.db2.gz LCJKRDBCVAHZAK-UHFFFAOYSA-N 1 2 331.441 3.003 20 30 EGEDLO Cc1csc([C@H]2CCC[N@@H+](CC(=O)Nc3c(C)nn(C)c3C)C2)n1 ZINC000329477565 456897246 /nfs/dbraw/zinc/89/72/46/456897246.db2.gz BYSQBVVVULKHMI-AWEZNQCLSA-N 1 2 347.488 3.269 20 30 EGEDLO Cc1csc([C@H]2CCC[N@H+](CC(=O)Nc3c(C)nn(C)c3C)C2)n1 ZINC000329477565 456897250 /nfs/dbraw/zinc/89/72/50/456897250.db2.gz BYSQBVVVULKHMI-AWEZNQCLSA-N 1 2 347.488 3.269 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCCC[C@H](C)C1)C1CCOCC1 ZINC000329483892 456897660 /nfs/dbraw/zinc/89/76/60/456897660.db2.gz FIXSVJKLSNMNTQ-DOTOQJQBSA-N 1 2 348.491 3.407 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])N1CCC(C)(C#N)CC1)C2 ZINC000329481913 456897679 /nfs/dbraw/zinc/89/76/79/456897679.db2.gz DNKSDQKGXWMGAG-CQSZACIVSA-N 1 2 343.475 3.035 20 30 EGEDLO O=C(C[N@@H+]1CCOCC2(CCOCC2)C1)Nc1ccccc1Cl ZINC000329504114 456901837 /nfs/dbraw/zinc/90/18/37/456901837.db2.gz GYGKDHKFCZXGII-UHFFFAOYSA-N 1 2 338.835 3.057 20 30 EGEDLO O=C(C[N@H+]1CCOCC2(CCOCC2)C1)Nc1ccccc1Cl ZINC000329504114 456901838 /nfs/dbraw/zinc/90/18/38/456901838.db2.gz GYGKDHKFCZXGII-UHFFFAOYSA-N 1 2 338.835 3.057 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1C[C@]12CCOC2)c1ccccc1F ZINC000329607011 456914808 /nfs/dbraw/zinc/91/48/08/456914808.db2.gz CFSHXCUJOLHHBO-JOQOYGCGSA-N 1 2 329.375 3.032 20 30 EGEDLO CC(=O)N[C@H](c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1)C1CCCC1 ZINC000329612047 456915961 /nfs/dbraw/zinc/91/59/61/456915961.db2.gz RMKNAVVDNUERON-OAGGEKHMSA-N 1 2 348.447 3.203 20 30 EGEDLO CC(=O)N[C@H](c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1)C1CCCC1 ZINC000329612047 456915966 /nfs/dbraw/zinc/91/59/66/456915966.db2.gz RMKNAVVDNUERON-OAGGEKHMSA-N 1 2 348.447 3.203 20 30 EGEDLO CC(=O)Nc1cccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000329740459 456934556 /nfs/dbraw/zinc/93/45/56/456934556.db2.gz VKBAIWVJYGCZGP-HZPDHXFCSA-N 1 2 342.399 3.270 20 30 EGEDLO CC(=O)Nc1cccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000329740459 456934561 /nfs/dbraw/zinc/93/45/61/456934561.db2.gz VKBAIWVJYGCZGP-HZPDHXFCSA-N 1 2 342.399 3.270 20 30 EGEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C[C@@]2(CCOC2)O1 ZINC000330083281 456983026 /nfs/dbraw/zinc/98/30/26/456983026.db2.gz QKEGDEGQIUTZSJ-DOEOUOAPSA-N 1 2 338.492 3.038 20 30 EGEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C[C@@]2(CCOC2)O1 ZINC000330083281 456983029 /nfs/dbraw/zinc/98/30/29/456983029.db2.gz QKEGDEGQIUTZSJ-DOEOUOAPSA-N 1 2 338.492 3.038 20 30 EGEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)[C@H]1C ZINC000330103587 456985369 /nfs/dbraw/zinc/98/53/69/456985369.db2.gz GJMJRGIFVTYFIW-PASDCYSWSA-N 1 2 338.492 3.038 20 30 EGEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)[C@H]1C ZINC000330103587 456985371 /nfs/dbraw/zinc/98/53/71/456985371.db2.gz GJMJRGIFVTYFIW-PASDCYSWSA-N 1 2 338.492 3.038 20 30 EGEDLO O=C(NC[C@H]1CCC2(CCCCC2)O1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000330108459 456985403 /nfs/dbraw/zinc/98/54/03/456985403.db2.gz NRTKBSBZKAEWAS-MRXNPFEDSA-N 1 2 346.475 3.385 20 30 EGEDLO O=C(NC[C@H]1CCC2(CCCCC2)O1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000330108459 456985406 /nfs/dbraw/zinc/98/54/06/456985406.db2.gz NRTKBSBZKAEWAS-MRXNPFEDSA-N 1 2 346.475 3.385 20 30 EGEDLO C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330103917 456985696 /nfs/dbraw/zinc/98/56/96/456985696.db2.gz HDURNAVEFIKYLB-MDZRGWNJSA-N 1 2 338.492 3.182 20 30 EGEDLO C[C@H](C(=O)NCC1CCCCC1)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330103917 456985700 /nfs/dbraw/zinc/98/57/00/456985700.db2.gz HDURNAVEFIKYLB-MDZRGWNJSA-N 1 2 338.492 3.182 20 30 EGEDLO CCc1ccc([C@H](C#N)NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000345812301 456998881 /nfs/dbraw/zinc/99/88/81/456998881.db2.gz ULRGLSWVQZVJFR-IBGZPJMESA-N 1 2 330.391 3.429 20 30 EGEDLO [O-]C(N[C@H]1CCSc2ccc(F)cc21)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330186561 456998932 /nfs/dbraw/zinc/99/89/32/456998932.db2.gz SCWSKAIMVICHQV-OCCSQVGLSA-N 1 2 346.431 3.078 20 30 EGEDLO CC(C)(C)c1cc(NC(=O)C[N@@H+]2CCOC[C@@H](C3CCC3)C2)on1 ZINC000330263340 457015552 /nfs/dbraw/zinc/01/55/52/457015552.db2.gz WJQHVKQAOJRYDH-AWEZNQCLSA-N 1 2 335.448 3.309 20 30 EGEDLO CC(C)(C)c1cc(NC(=O)C[N@H+]2CCOC[C@@H](C3CCC3)C2)on1 ZINC000330263340 457015560 /nfs/dbraw/zinc/01/55/60/457015560.db2.gz WJQHVKQAOJRYDH-AWEZNQCLSA-N 1 2 335.448 3.309 20 30 EGEDLO CC1=C(C)CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000330283481 457020748 /nfs/dbraw/zinc/02/07/48/457020748.db2.gz WEENODSATBMQJZ-OAHLLOKOSA-N 1 2 330.476 3.452 20 30 EGEDLO CCOc1ccc(CN(C)C(=O)C[N@H+](CCC#N)CC(C)(C)C)cc1 ZINC000346264281 457027110 /nfs/dbraw/zinc/02/71/10/457027110.db2.gz COLDQDWNIVPFHC-UHFFFAOYSA-N 1 2 345.487 3.305 20 30 EGEDLO CCOc1ccc(CN(C)C(=O)C[N@@H+](CCC#N)CC(C)(C)C)cc1 ZINC000346264281 457027117 /nfs/dbraw/zinc/02/71/17/457027117.db2.gz COLDQDWNIVPFHC-UHFFFAOYSA-N 1 2 345.487 3.305 20 30 EGEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccc(C4(C#N)CC4)cc3)n2)C1 ZINC000349851270 457078456 /nfs/dbraw/zinc/07/84/56/457078456.db2.gz MZHUCYVVUQGABG-MRXNPFEDSA-N 1 2 338.411 3.073 20 30 EGEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccc(C4(C#N)CC4)cc3)n2)C1 ZINC000349851270 457078464 /nfs/dbraw/zinc/07/84/64/457078464.db2.gz MZHUCYVVUQGABG-MRXNPFEDSA-N 1 2 338.411 3.073 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000354121158 457078551 /nfs/dbraw/zinc/07/85/51/457078551.db2.gz QZFCOGFVOKCRQG-CVEARBPZSA-N 1 2 334.435 3.012 20 30 EGEDLO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(C)(C#N)CC2)c1C ZINC000330780056 457084577 /nfs/dbraw/zinc/08/45/77/457084577.db2.gz NCCIQUBWQXSENY-UHFFFAOYSA-N 1 2 338.455 3.176 20 30 EGEDLO CC[C@H](O)CCNC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000330786491 457085325 /nfs/dbraw/zinc/08/53/25/457085325.db2.gz VTOWKHXUTSQBNW-HOCLYGCPSA-N 1 2 334.464 3.256 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)CC(C)(C)C#N)CC1 ZINC000354191342 457122077 /nfs/dbraw/zinc/12/20/77/457122077.db2.gz NDEOPTNPHWVHFG-AWEZNQCLSA-N 1 2 333.863 3.485 20 30 EGEDLO C=CCc1cc(CNc2cc[nH+]c(C(C)C)n2)cc(OC)c1OC ZINC000346910693 457190639 /nfs/dbraw/zinc/19/06/39/457190639.db2.gz RNWLPBJOILASTR-UHFFFAOYSA-N 1 2 327.428 3.380 20 30 EGEDLO CCOC(=O)c1ccc(C#N)c(SCc2cc(OC)cc(C)[nH+]2)n1 ZINC000339745771 457246891 /nfs/dbraw/zinc/24/68/91/457246891.db2.gz KVOMZRZOAOAFGH-UHFFFAOYSA-N 1 2 343.408 3.134 20 30 EGEDLO N#Cc1ccc2c(c1)N(C(=O)c1cccc(Cn3cc[nH+]c3)c1)CC2 ZINC000339817455 457287670 /nfs/dbraw/zinc/28/76/70/457287670.db2.gz OBVZUWDLQZXXMM-UHFFFAOYSA-N 1 2 328.375 3.006 20 30 EGEDLO C=CCCC1(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)CC1 ZINC000354598441 457290678 /nfs/dbraw/zinc/29/06/78/457290678.db2.gz KKNVYYWPLYTUEK-HOTGVXAUSA-N 1 2 343.471 3.058 20 30 EGEDLO N#CCCCOc1cccc(CNc2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000351551375 457303914 /nfs/dbraw/zinc/30/39/14/457303914.db2.gz WAJFWVUMTVJNIL-UHFFFAOYSA-N 1 2 347.422 3.043 20 30 EGEDLO C=CCc1ccc(OCC(=O)Nc2ccn3cc[nH+]c3c2)c(OC)c1 ZINC000347347778 457367019 /nfs/dbraw/zinc/36/70/19/457367019.db2.gz KEPUBVAWHKZGIZ-UHFFFAOYSA-N 1 2 337.379 3.089 20 30 EGEDLO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352484926 457404171 /nfs/dbraw/zinc/40/41/71/457404171.db2.gz VKKUCCLJCXSUPN-MRXNPFEDSA-N 1 2 331.435 3.140 20 30 EGEDLO CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352484686 457404651 /nfs/dbraw/zinc/40/46/51/457404651.db2.gz SEJCGMUIUQGNJX-AWEZNQCLSA-N 1 2 331.435 3.466 20 30 EGEDLO COc1cccc(OC(F)(F)F)c1CNc1cc(C)[nH+]cc1C#N ZINC000425255992 457472438 /nfs/dbraw/zinc/47/24/38/457472438.db2.gz QXBLZRVDADRUON-UHFFFAOYSA-N 1 2 337.301 3.203 20 30 EGEDLO CC[C@@H](C)[N@H+](CC(=O)OC(C)(C)C)Cc1cnc2ccc(C#N)cn12 ZINC000342768312 457511880 /nfs/dbraw/zinc/51/18/80/457511880.db2.gz KNKJVOCTASMXGC-CQSZACIVSA-N 1 2 342.443 3.148 20 30 EGEDLO CC[C@@H](C)[N@@H+](CC(=O)OC(C)(C)C)Cc1cnc2ccc(C#N)cn12 ZINC000342768312 457511888 /nfs/dbraw/zinc/51/18/88/457511888.db2.gz KNKJVOCTASMXGC-CQSZACIVSA-N 1 2 342.443 3.148 20 30 EGEDLO CC[C@@H](C)N(CC(=O)OC(C)(C)C)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000342768312 457511895 /nfs/dbraw/zinc/51/18/95/457511895.db2.gz KNKJVOCTASMXGC-CQSZACIVSA-N 1 2 342.443 3.148 20 30 EGEDLO N#Cc1cnc2ccccc2c1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000361025632 457522434 /nfs/dbraw/zinc/52/24/34/457522434.db2.gz NTQQEWRMCBBVFS-UHFFFAOYSA-N 1 2 325.375 3.326 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2ccc(OC)c(OC)c2Cl)CC1 ZINC000342839541 457551501 /nfs/dbraw/zinc/55/15/01/457551501.db2.gz NPXPRUBTGDWEPZ-UHFFFAOYSA-N 1 2 338.835 3.109 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H](C#N)c1ccccc1F ZINC000356281257 457556968 /nfs/dbraw/zinc/55/69/68/457556968.db2.gz NYUUUUOMTWPMSA-KRWDZBQOSA-N 1 2 336.370 3.255 20 30 EGEDLO C=CCCC1(C(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000356314390 457569596 /nfs/dbraw/zinc/56/95/96/457569596.db2.gz ZNPBUQYSCHXAQF-HOTGVXAUSA-N 1 2 348.512 3.373 20 30 EGEDLO C=CCCC1(C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000356314390 457569598 /nfs/dbraw/zinc/56/95/98/457569598.db2.gz ZNPBUQYSCHXAQF-HOTGVXAUSA-N 1 2 348.512 3.373 20 30 EGEDLO CC(=O)c1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425543892 457591103 /nfs/dbraw/zinc/59/11/03/457591103.db2.gz ZUOQWYDPPBEMCC-AWEZNQCLSA-N 1 2 335.407 3.392 20 30 EGEDLO CC(=O)c1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425543892 457591109 /nfs/dbraw/zinc/59/11/09/457591109.db2.gz ZUOQWYDPPBEMCC-AWEZNQCLSA-N 1 2 335.407 3.392 20 30 EGEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CNc1ccc(C#N)cc1 ZINC000357893484 457726004 /nfs/dbraw/zinc/72/60/04/457726004.db2.gz FLJBCFUPOJMQAF-UHFFFAOYSA-N 1 2 331.379 3.307 20 30 EGEDLO N#Cc1csc(C(=O)N2CC[NH2+][C@@H](c3ccccc3Cl)C2)c1 ZINC000374883101 457727333 /nfs/dbraw/zinc/72/73/33/457727333.db2.gz WAQXYDUFQMKHDW-CQSZACIVSA-N 1 2 331.828 3.060 20 30 EGEDLO FC(F)(F)c1ccc(C#CCN2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000426418472 457827049 /nfs/dbraw/zinc/82/70/49/457827049.db2.gz XFEHJIZUNFUBPS-UHFFFAOYSA-N 1 2 348.368 3.468 20 30 EGEDLO Cc1ccc2[nH+]c(CN3CCO[C@H](c4cccc(C#N)c4)C3)cn2c1 ZINC000371291172 457851541 /nfs/dbraw/zinc/85/15/41/457851541.db2.gz IEXFRIFMRRPSCG-IBGZPJMESA-N 1 2 332.407 3.088 20 30 EGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Nc1ccc(C#N)c(Cl)c1)CCC2 ZINC000366683749 457885261 /nfs/dbraw/zinc/88/52/61/457885261.db2.gz CMWVSDLWFWFWBF-CYBMUJFWSA-N 1 2 343.818 3.416 20 30 EGEDLO C#CC[C@@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000366794196 457901444 /nfs/dbraw/zinc/90/14/44/457901444.db2.gz FLLKJPQFBWYAMB-LJQANCHMSA-N 1 2 344.418 3.436 20 30 EGEDLO C=C(C)[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)o1)c1ccc(F)c(F)c1 ZINC000411557246 457918819 /nfs/dbraw/zinc/91/88/19/457918819.db2.gz QIQVTPHAFBEJEL-INIZCTEOSA-N 1 2 341.379 3.368 20 30 EGEDLO CC(C)(C)c1ncc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)cn1 ZINC000367047877 457924245 /nfs/dbraw/zinc/92/42/45/457924245.db2.gz ODLOGRNDGMAYMK-UHFFFAOYSA-N 1 2 335.455 3.226 20 30 EGEDLO Cc1cccc2[nH+]cc(CN3CCO[C@@H](c4cccc(C#N)c4)C3)n21 ZINC000371463831 457944127 /nfs/dbraw/zinc/94/41/27/457944127.db2.gz LTKVGWKCURGDRE-LJQANCHMSA-N 1 2 332.407 3.088 20 30 EGEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000371463101 457944548 /nfs/dbraw/zinc/94/45/48/457944548.db2.gz HEKZZDWXROSQCI-HRAATJIYSA-N 1 2 347.418 3.423 20 30 EGEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000371463101 457944551 /nfs/dbraw/zinc/94/45/51/457944551.db2.gz HEKZZDWXROSQCI-HRAATJIYSA-N 1 2 347.418 3.423 20 30 EGEDLO Cc1cccc(NC(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1C ZINC000375699084 458028321 /nfs/dbraw/zinc/02/83/21/458028321.db2.gz WNUXYSFRGZCXJD-UHFFFAOYSA-N 1 2 348.450 3.194 20 30 EGEDLO C=CCN(Cc1ccccc1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000368750908 458055718 /nfs/dbraw/zinc/05/57/18/458055718.db2.gz OQKXYRIDTMSRFT-UHFFFAOYSA-N 1 2 338.455 3.160 20 30 EGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)C2(c3cccc(C#N)c3)CC2)c1C ZINC000435018689 458078020 /nfs/dbraw/zinc/07/80/20/458078020.db2.gz FFMLTOOYPWUYDC-UHFFFAOYSA-N 1 2 349.434 3.269 20 30 EGEDLO CC(C)(CCC#N)CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000358694515 458154903 /nfs/dbraw/zinc/15/49/03/458154903.db2.gz PUOANNCPBWAOMI-UHFFFAOYSA-N 1 2 345.491 3.415 20 30 EGEDLO C=C(C)CCNC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000458995469 458239137 /nfs/dbraw/zinc/23/91/37/458239137.db2.gz GWIBOATYBJBQEM-INIZCTEOSA-N 1 2 331.460 3.050 20 30 EGEDLO COCC[N@H+](Cc1cccnc1)Cc1ccc(C#N)cc1OC(F)F ZINC000429316818 458316710 /nfs/dbraw/zinc/31/67/10/458316710.db2.gz XDDFKMUJTKJYMF-UHFFFAOYSA-N 1 2 347.365 3.203 20 30 EGEDLO COCC[N@@H+](Cc1cccnc1)Cc1ccc(C#N)cc1OC(F)F ZINC000429316818 458316715 /nfs/dbraw/zinc/31/67/15/458316715.db2.gz XDDFKMUJTKJYMF-UHFFFAOYSA-N 1 2 347.365 3.203 20 30 EGEDLO C#CCCCC(=O)N(C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000372990852 458368669 /nfs/dbraw/zinc/36/86/69/458368669.db2.gz QAVLTVLNVNZNBR-UHFFFAOYSA-N 1 2 342.487 3.139 20 30 EGEDLO C[N@H+](CCn1[nH]c(C(C)(C)C)c(CCC#N)c1=O)Cc1ccccc1 ZINC000418900586 458376971 /nfs/dbraw/zinc/37/69/71/458376971.db2.gz MYZQGQTXZAUSAF-UHFFFAOYSA-N 1 2 340.471 3.474 20 30 EGEDLO C[N@@H+](CCn1[nH]c(C(C)(C)C)c(CCC#N)c1=O)Cc1ccccc1 ZINC000418900586 458376978 /nfs/dbraw/zinc/37/69/78/458376978.db2.gz MYZQGQTXZAUSAF-UHFFFAOYSA-N 1 2 340.471 3.474 20 30 EGEDLO C[C@@H]1CCC[C@]1(C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000448577593 458402749 /nfs/dbraw/zinc/40/27/49/458402749.db2.gz JZDHEFUOIFCYQS-UZLBHIALSA-N 1 2 325.456 3.029 20 30 EGEDLO N#C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000455632985 458605724 /nfs/dbraw/zinc/60/57/24/458605724.db2.gz XKAPDMLWCGSOKH-SMDDNHRTSA-N 1 2 349.221 3.133 20 30 EGEDLO C=C[C@@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000494209978 458640566 /nfs/dbraw/zinc/64/05/66/458640566.db2.gz WAPZQAIWFWBCEX-QGZVFWFLSA-N 1 2 328.460 3.322 20 30 EGEDLO C=C[C@H]1CCCCN1C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000494214121 458641875 /nfs/dbraw/zinc/64/18/75/458641875.db2.gz YITRYGZYVIBIGS-INIZCTEOSA-N 1 2 326.444 3.485 20 30 EGEDLO C=C(C)COCCNC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000506985124 458752869 /nfs/dbraw/zinc/75/28/69/458752869.db2.gz IIUNZGNDDJITIS-MRXNPFEDSA-N 1 2 346.475 3.483 20 30 EGEDLO C[C@H](NC(=O)C[NH+]1CCC(F)(C#N)CC1)c1cccc2ccccc21 ZINC000510901864 458776289 /nfs/dbraw/zinc/77/62/89/458776289.db2.gz IYDQPDUAGQVHKY-HNNXBMFYSA-N 1 2 339.414 3.345 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)cc1Cl ZINC000512686741 458789001 /nfs/dbraw/zinc/78/90/01/458789001.db2.gz JIMFUJGJVYMYIY-HOTGVXAUSA-N 1 2 334.847 3.148 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)cc1Cl ZINC000512686741 458789005 /nfs/dbraw/zinc/78/90/05/458789005.db2.gz JIMFUJGJVYMYIY-HOTGVXAUSA-N 1 2 334.847 3.148 20 30 EGEDLO C=CCc1ccc(OCC(=O)NCc2c[nH+]c(C)cc2C)c(OC)c1 ZINC000456859021 458803471 /nfs/dbraw/zinc/80/34/71/458803471.db2.gz MRQSYXSTWHVWEA-UHFFFAOYSA-N 1 2 340.423 3.131 20 30 EGEDLO C=CCC[C@@H]([NH2+]Cc1nnn(C)n1)c1ccc(C(F)(F)F)cc1 ZINC000440603666 458832142 /nfs/dbraw/zinc/83/21/42/458832142.db2.gz ZZMDMDQITSVCLT-CYBMUJFWSA-N 1 2 325.338 3.026 20 30 EGEDLO C=CCn1c(CC)nnc1N1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000548853849 458875427 /nfs/dbraw/zinc/87/54/27/458875427.db2.gz DJXMYFAVGNSYIN-UHFFFAOYSA-N 1 2 336.443 3.287 20 30 EGEDLO C=CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1nc2c(s1)CCCC2 ZINC000566445409 458936155 /nfs/dbraw/zinc/93/61/55/458936155.db2.gz SOXZENKOWIXDOX-LBPRGKRZSA-N 1 2 330.457 3.143 20 30 EGEDLO C=CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1nc2c(s1)CCCC2 ZINC000566445409 458936161 /nfs/dbraw/zinc/93/61/61/458936161.db2.gz SOXZENKOWIXDOX-LBPRGKRZSA-N 1 2 330.457 3.143 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000442881799 459051931 /nfs/dbraw/zinc/05/19/31/459051931.db2.gz OAJNMLCVMWKNSR-LBPRGKRZSA-N 1 2 349.862 3.428 20 30 EGEDLO N#Cc1cnc2c(F)ccc(F)c2c1NCCc1[nH]c2ccccc2[nH+]1 ZINC000590133343 459090492 /nfs/dbraw/zinc/09/04/92/459090492.db2.gz FOYIDHVMETXQFF-UHFFFAOYSA-N 1 2 349.344 3.337 20 30 EGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000532573300 459111515 /nfs/dbraw/zinc/11/15/15/459111515.db2.gz YELKJWIHEYQERU-IJLUTSLNSA-N 1 2 349.525 3.261 20 30 EGEDLO CC(C)(C)OC(=O)NCC[C@@H]([NH2+]Cc1cc(C#N)cs1)C(F)F ZINC000496370349 459169067 /nfs/dbraw/zinc/16/90/67/459169067.db2.gz ZHRRNIGKOVJWPH-GFCCVEGCSA-N 1 2 345.415 3.258 20 30 EGEDLO CCN(Cc1cncc(C[N@H+](CC)C[C@H](C)C#N)c1)C[C@H](C)C#N ZINC000590689797 459183432 /nfs/dbraw/zinc/18/34/32/459183432.db2.gz HKBCXOCPBWMOBH-IAGOWNOFSA-N 1 2 327.476 3.045 20 30 EGEDLO CCN(Cc1cncc(C[N@@H+](CC)C[C@H](C)C#N)c1)C[C@H](C)C#N ZINC000590689797 459183436 /nfs/dbraw/zinc/18/34/36/459183436.db2.gz HKBCXOCPBWMOBH-IAGOWNOFSA-N 1 2 327.476 3.045 20 30 EGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCC3(CC#N)CC3)n2)C1 ZINC000559292399 459248738 /nfs/dbraw/zinc/24/87/38/459248738.db2.gz KHWNFEUHABBGEX-CYBMUJFWSA-N 1 2 347.488 3.190 20 30 EGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC3(CC#N)CC3)n2)C1 ZINC000559292399 459248742 /nfs/dbraw/zinc/24/87/42/459248742.db2.gz KHWNFEUHABBGEX-CYBMUJFWSA-N 1 2 347.488 3.190 20 30 EGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000580285349 459259034 /nfs/dbraw/zinc/25/90/34/459259034.db2.gz ANJSTLYMVNCBRK-YOEHRIQHSA-N 1 2 340.427 3.295 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000581761367 459277368 /nfs/dbraw/zinc/27/73/68/459277368.db2.gz AIIOYEJIXVGPAP-OAQYLSRUSA-N 1 2 335.451 3.169 20 30 EGEDLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595497074 459324744 /nfs/dbraw/zinc/32/47/44/459324744.db2.gz LYVLDCPTCUCMKA-OAHLLOKOSA-N 1 2 335.455 3.427 20 30 EGEDLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595497074 459324746 /nfs/dbraw/zinc/32/47/46/459324746.db2.gz LYVLDCPTCUCMKA-OAHLLOKOSA-N 1 2 335.455 3.427 20 30 EGEDLO C[N@H+](CCCOc1cccc(C#N)c1)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000595523790 459334707 /nfs/dbraw/zinc/33/47/07/459334707.db2.gz MTOQJDGHPVSDPB-LJQANCHMSA-N 1 2 347.422 3.167 20 30 EGEDLO C[N@@H+](CCCOc1cccc(C#N)c1)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000595523790 459334709 /nfs/dbraw/zinc/33/47/09/459334709.db2.gz MTOQJDGHPVSDPB-LJQANCHMSA-N 1 2 347.422 3.167 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000595611971 459367485 /nfs/dbraw/zinc/36/74/85/459367485.db2.gz QTWUYRXYLPRZNQ-GFCCVEGCSA-N 1 2 325.334 3.270 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000595611971 459367488 /nfs/dbraw/zinc/36/74/88/459367488.db2.gz QTWUYRXYLPRZNQ-GFCCVEGCSA-N 1 2 325.334 3.270 20 30 EGEDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000539887188 459379923 /nfs/dbraw/zinc/37/99/23/459379923.db2.gz SXDKCZJYNWOYDM-GJZGRUSLSA-N 1 2 343.446 3.476 20 30 EGEDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000539887188 459379924 /nfs/dbraw/zinc/37/99/24/459379924.db2.gz SXDKCZJYNWOYDM-GJZGRUSLSA-N 1 2 343.446 3.476 20 30 EGEDLO Cc1cc(NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)c(C#N)c[nH+]1 ZINC000591818879 459445905 /nfs/dbraw/zinc/44/59/05/459445905.db2.gz XIFGWNTVRGNHHR-AWEZNQCLSA-N 1 2 326.831 3.275 20 30 EGEDLO C=CCCCCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000486710093 459515976 /nfs/dbraw/zinc/51/59/76/459515976.db2.gz OEYAETOCKNEBDO-UHFFFAOYSA-N 1 2 337.445 3.161 20 30 EGEDLO CC(C)CCN(CCC#N)C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000583331231 459522692 /nfs/dbraw/zinc/52/26/92/459522692.db2.gz XHCDCWJTLANSFI-CYBMUJFWSA-N 1 2 344.381 3.244 20 30 EGEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000489412794 459563531 /nfs/dbraw/zinc/56/35/31/459563531.db2.gz XGDYUHGACLCQCT-SJLPKXTDSA-N 1 2 341.480 3.389 20 30 EGEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000489412794 459563532 /nfs/dbraw/zinc/56/35/32/459563532.db2.gz XGDYUHGACLCQCT-SJLPKXTDSA-N 1 2 341.480 3.389 20 30 EGEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000489473091 459565092 /nfs/dbraw/zinc/56/50/92/459565092.db2.gz HYQBIPGZKRBULR-LBPRGKRZSA-N 1 2 338.835 3.336 20 30 EGEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000489473091 459565097 /nfs/dbraw/zinc/56/50/97/459565097.db2.gz HYQBIPGZKRBULR-LBPRGKRZSA-N 1 2 338.835 3.336 20 30 EGEDLO C#C[C@H](NC(=O)/C=C/c1[nH+]ccn1CC)c1ccc(Cl)cc1F ZINC000491097029 459598354 /nfs/dbraw/zinc/59/83/54/459598354.db2.gz YRKLKADTFDKIBZ-KIUWMYQTSA-N 1 2 331.778 3.199 20 30 EGEDLO Cc1c[nH+]c(N2CCC[C@H](CC#N)C2)nc1N1CCC[C@@H](CC#N)C1 ZINC000596330594 459598458 /nfs/dbraw/zinc/59/84/58/459598458.db2.gz UIQSTQVMSHZELX-DLBZAZTESA-N 1 2 338.459 3.045 20 30 EGEDLO C#C[C@H](C)N(C)C(=O)c1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000491394069 459623028 /nfs/dbraw/zinc/62/30/28/459623028.db2.gz KVGYYSCWVHIMOV-INIZCTEOSA-N 1 2 347.418 3.315 20 30 EGEDLO C#C[C@H]([NH2+]Cc1ccc(OC)c(OC)c1OC)c1ccc(F)cc1 ZINC000491426608 459626056 /nfs/dbraw/zinc/62/60/56/459626056.db2.gz HBVNODUELIMPNT-INIZCTEOSA-N 1 2 329.371 3.316 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc2c(c1)[nH+]c(CC)n2C1CC1 ZINC000562718044 459631111 /nfs/dbraw/zinc/63/11/11/459631111.db2.gz ZOJGTFBCIDLXGT-QAPCUYQASA-N 1 2 339.439 3.141 20 30 EGEDLO N#CC1(NC(=O)C[NH+]2Cc3ccccc3-c3ccccc3C2)CCC1 ZINC000527385089 459639189 /nfs/dbraw/zinc/63/91/89/459639189.db2.gz MPKPFAAVJNZSTN-UHFFFAOYSA-N 1 2 331.419 3.232 20 30 EGEDLO C#C[C@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccc(F)cc1 ZINC000491703775 459657344 /nfs/dbraw/zinc/65/73/44/459657344.db2.gz XPMPJOINHBKROX-FQEVSTJZSA-N 1 2 347.393 3.104 20 30 EGEDLO C=CCCSCCNC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000596715358 459738534 /nfs/dbraw/zinc/73/85/34/459738534.db2.gz DVYDMIJPORBVNZ-HNNXBMFYSA-N 1 2 336.505 3.449 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1sc2cc(F)ccc2c1Cl ZINC000593155858 459790242 /nfs/dbraw/zinc/79/02/42/459790242.db2.gz FBHUSQLINDSLDF-HNNXBMFYSA-N 1 2 339.823 3.267 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1sc2cc(F)ccc2c1Cl ZINC000593155863 459790322 /nfs/dbraw/zinc/79/03/22/459790322.db2.gz FBHUSQLINDSLDF-OAHLLOKOSA-N 1 2 339.823 3.267 20 30 EGEDLO COc1ccc(C[N@@H+]2CCc3nc(C(C)(C)C)ncc3C2)cc1C#N ZINC000528595380 459810829 /nfs/dbraw/zinc/81/08/29/459810829.db2.gz QBQGBMBJGMZNRJ-UHFFFAOYSA-N 1 2 336.439 3.213 20 30 EGEDLO COc1ccc(C[N@H+]2CCc3nc(C(C)(C)C)ncc3C2)cc1C#N ZINC000528595380 459810835 /nfs/dbraw/zinc/81/08/35/459810835.db2.gz QBQGBMBJGMZNRJ-UHFFFAOYSA-N 1 2 336.439 3.213 20 30 EGEDLO C[C@](O)(C1CC[NH+](Cc2cccc(C#N)c2F)CC1)C(F)(F)F ZINC000545225644 459812990 /nfs/dbraw/zinc/81/29/90/459812990.db2.gz WWXKGERVTNXEIU-HNNXBMFYSA-N 1 2 330.325 3.223 20 30 EGEDLO COCc1ccc(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1C#N ZINC000529209790 459825797 /nfs/dbraw/zinc/82/57/97/459825797.db2.gz JFBYBNDZWWWNOA-MRXNPFEDSA-N 1 2 339.399 3.187 20 30 EGEDLO CC(C)Cc1ccc(CCCC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000566307864 459839183 /nfs/dbraw/zinc/83/91/83/459839183.db2.gz BJYGJQSXHZIHRD-FQEVSTJZSA-N 1 2 329.488 3.168 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3F)C2)nc1 ZINC000597129560 459845424 /nfs/dbraw/zinc/84/54/24/459845424.db2.gz LLIZPBJKBRPHTB-CYBMUJFWSA-N 1 2 333.313 3.024 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3F)C2)nc1 ZINC000597129560 459845431 /nfs/dbraw/zinc/84/54/31/459845431.db2.gz LLIZPBJKBRPHTB-CYBMUJFWSA-N 1 2 333.313 3.024 20 30 EGEDLO C=CCC1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCCC1 ZINC000598295229 459851982 /nfs/dbraw/zinc/85/19/82/459851982.db2.gz CIRKXQXUTCNOEE-UHFFFAOYSA-N 1 2 340.383 3.399 20 30 EGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000597198607 459872402 /nfs/dbraw/zinc/87/24/02/459872402.db2.gz NJSXVRHRPXSEOF-GYSYKLTISA-N 1 2 349.221 3.211 20 30 EGEDLO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598588402 459954498 /nfs/dbraw/zinc/95/44/98/459954498.db2.gz LERGANILAOFQDA-JKIFEVAISA-N 1 2 336.863 3.403 20 30 EGEDLO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598588402 459954499 /nfs/dbraw/zinc/95/44/99/459954499.db2.gz LERGANILAOFQDA-JKIFEVAISA-N 1 2 336.863 3.403 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC(C)(C)CC[C@@H]2CO)c1C#N ZINC000598646294 459976260 /nfs/dbraw/zinc/97/62/60/459976260.db2.gz FBVSFDUNSIUTKK-QGZVFWFLSA-N 1 2 338.455 3.035 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC(C)(C)CC[C@@H]2CO)c1C#N ZINC000598646294 459976265 /nfs/dbraw/zinc/97/62/65/459976265.db2.gz FBVSFDUNSIUTKK-QGZVFWFLSA-N 1 2 338.455 3.035 20 30 EGEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000594009001 460053986 /nfs/dbraw/zinc/05/39/86/460053986.db2.gz VQWIGICUCKZPQE-CHWSQXEVSA-N 1 2 344.484 3.498 20 30 EGEDLO C[C@@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1cccc(C#N)c1 ZINC000589437708 460088019 /nfs/dbraw/zinc/08/80/19/460088019.db2.gz BAEOAIXDVVEIPZ-MRXNPFEDSA-N 1 2 344.418 3.223 20 30 EGEDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2cccnc2C#N)CC1 ZINC000589558082 460102811 /nfs/dbraw/zinc/10/28/11/460102811.db2.gz VWCPRAHVHSRCHJ-CQSZACIVSA-N 1 2 349.463 3.446 20 30 EGEDLO Cc1cccn2cc(CCNc3c(C#N)cnc4ccccc43)[nH+]c12 ZINC000610468841 460158661 /nfs/dbraw/zinc/15/86/61/460158661.db2.gz JQEXRZIBXYOOBW-UHFFFAOYSA-N 1 2 327.391 3.139 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](c3ccco3)C2)c(C#N)c1C ZINC000610542990 460180679 /nfs/dbraw/zinc/18/06/79/460180679.db2.gz YIJQKEWUWDDGNE-ZDUSSCGKSA-N 1 2 329.425 3.258 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](c3ccco3)C2)c(C#N)c1C ZINC000610542990 460180686 /nfs/dbraw/zinc/18/06/86/460180686.db2.gz YIJQKEWUWDDGNE-ZDUSSCGKSA-N 1 2 329.425 3.258 20 30 EGEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000594286285 460181298 /nfs/dbraw/zinc/18/12/98/460181298.db2.gz RGAHFKHYXFWHOV-ZANVPECISA-N 1 2 337.210 3.276 20 30 EGEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000594286285 460181303 /nfs/dbraw/zinc/18/13/03/460181303.db2.gz RGAHFKHYXFWHOV-ZANVPECISA-N 1 2 337.210 3.276 20 30 EGEDLO Cc1c(Cl)c(C[NH+]2CCN(CCC#N)CC2)nc2ccccc12 ZINC000611173860 460301163 /nfs/dbraw/zinc/30/11/63/460301163.db2.gz OIBSNFPHMWRIIQ-UHFFFAOYSA-N 1 2 328.847 3.228 20 30 EGEDLO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611174678 460301499 /nfs/dbraw/zinc/30/14/99/460301499.db2.gz ONEVKFKFAHRHFG-IAGOWNOFSA-N 1 2 342.487 3.058 20 30 EGEDLO C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccc(C#N)c1 ZINC000611388692 460351525 /nfs/dbraw/zinc/35/15/25/460351525.db2.gz LXLDOKCGDHGRGX-GFCCVEGCSA-N 1 2 349.350 3.367 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCOc3ccccc3C2)cc1Cl ZINC000603909097 460357694 /nfs/dbraw/zinc/35/76/94/460357694.db2.gz IIIWVEKYAZRHJT-UHFFFAOYSA-N 1 2 341.798 3.045 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCOc3ccccc3C2)cc1Cl ZINC000603909097 460357695 /nfs/dbraw/zinc/35/76/95/460357695.db2.gz IIIWVEKYAZRHJT-UHFFFAOYSA-N 1 2 341.798 3.045 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CCC[C@](C)(C#N)C1 ZINC000612103872 460542214 /nfs/dbraw/zinc/54/22/14/460542214.db2.gz PPLXUNHBQQTRBQ-LJQANCHMSA-N 1 2 339.443 3.070 20 30 EGEDLO O=C(NCCCCn1cc[nH+]c1)c1ccc(C#Cc2ccccc2)cc1 ZINC000617350275 460825476 /nfs/dbraw/zinc/82/54/76/460825476.db2.gz UEWALDODOXGGFT-UHFFFAOYSA-N 1 2 343.430 3.493 20 30 EGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000665899327 461340462 /nfs/dbraw/zinc/34/04/62/461340462.db2.gz JAOZTTARQWHVKR-OALUTQOASA-N 1 2 338.455 3.417 20 30 EGEDLO C=CCCn1cc(C[NH2+][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)nn1 ZINC000657336830 462056149 /nfs/dbraw/zinc/05/61/49/462056149.db2.gz YBTLRESVZMIPAK-MSOLQXFVSA-N 1 2 330.407 3.003 20 30 EGEDLO COCC#CC[N@@H+]1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000644761892 462064837 /nfs/dbraw/zinc/06/48/37/462064837.db2.gz RHLIJAZYLGHXAS-CJNGLKHVSA-N 1 2 327.346 3.117 20 30 EGEDLO COCC#CC[N@H+]1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000644761892 462064842 /nfs/dbraw/zinc/06/48/42/462064842.db2.gz RHLIJAZYLGHXAS-CJNGLKHVSA-N 1 2 327.346 3.117 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1nc2ccc(C)cc2s1)[C@H](C)COC ZINC000661243304 462166896 /nfs/dbraw/zinc/16/68/96/462166896.db2.gz IYDXDSPIYMFEQB-CYBMUJFWSA-N 1 2 333.457 3.066 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1nc2ccc(C)cc2s1)[C@H](C)COC ZINC000661243304 462166900 /nfs/dbraw/zinc/16/69/00/462166900.db2.gz IYDXDSPIYMFEQB-CYBMUJFWSA-N 1 2 333.457 3.066 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1nc2ccc(C)cc2s1)[C@@H](C)COC ZINC000661243305 462167230 /nfs/dbraw/zinc/16/72/30/462167230.db2.gz IYDXDSPIYMFEQB-ZDUSSCGKSA-N 1 2 333.457 3.066 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1nc2ccc(C)cc2s1)[C@@H](C)COC ZINC000661243305 462167234 /nfs/dbraw/zinc/16/72/34/462167234.db2.gz IYDXDSPIYMFEQB-ZDUSSCGKSA-N 1 2 333.457 3.066 20 30 EGEDLO C=CC[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000661382164 462225047 /nfs/dbraw/zinc/22/50/47/462225047.db2.gz TUABDWHJPJBUDG-SWLSCSKDSA-N 1 2 337.261 3.264 20 30 EGEDLO C=CC[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000661382164 462225053 /nfs/dbraw/zinc/22/50/53/462225053.db2.gz TUABDWHJPJBUDG-SWLSCSKDSA-N 1 2 337.261 3.264 20 30 EGEDLO C=CC[C@@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000661382162 462226008 /nfs/dbraw/zinc/22/60/08/462226008.db2.gz TUABDWHJPJBUDG-DOMZBBRYSA-N 1 2 337.261 3.264 20 30 EGEDLO C=CC[C@@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000661382162 462226014 /nfs/dbraw/zinc/22/60/14/462226014.db2.gz TUABDWHJPJBUDG-DOMZBBRYSA-N 1 2 337.261 3.264 20 30 EGEDLO C=CCCn1cc(C[NH+]2CCC3(CCc4ccccc4O3)CC2)nn1 ZINC000662049304 462512580 /nfs/dbraw/zinc/51/25/80/462512580.db2.gz WGAWRTRSSZNALF-UHFFFAOYSA-N 1 2 338.455 3.214 20 30 EGEDLO CC(C)c1nc(N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc[nH+]1 ZINC000346625443 534907254 /nfs/dbraw/zinc/90/72/54/534907254.db2.gz KUUJAWMRQZNWHB-UHFFFAOYSA-N 1 2 349.438 3.327 20 30 EGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1cccc(C#N)c1 ZINC000081090693 546604606 /nfs/dbraw/zinc/60/46/06/546604606.db2.gz QDVNFDNRXAJHGQ-UHFFFAOYSA-N 1 2 330.391 3.075 20 30 EGEDLO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH+]=C([O-])N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329503132 547499616 /nfs/dbraw/zinc/49/96/16/547499616.db2.gz ANHMHJSINJDSAS-LRDDRELGSA-N 1 2 342.443 3.386 20 30 EGEDLO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH+]=C([O-])N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329503132 547499619 /nfs/dbraw/zinc/49/96/19/547499619.db2.gz ANHMHJSINJDSAS-LRDDRELGSA-N 1 2 342.443 3.386 20 30 EGEDLO CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)c[nH+]1 ZINC000329707882 547505938 /nfs/dbraw/zinc/50/59/38/547505938.db2.gz KUMBPKHCXDYRLP-OXJNMPFZSA-N 1 2 337.423 3.345 20 30 EGEDLO O=C(c1ccco1)N1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000365882201 547780299 /nfs/dbraw/zinc/78/02/99/547780299.db2.gz NWQDLONVRUIMAF-UHFFFAOYSA-N 1 2 342.826 3.133 20 30 EGEDLO O=C(c1ccco1)N1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000365882201 547780303 /nfs/dbraw/zinc/78/03/03/547780303.db2.gz NWQDLONVRUIMAF-UHFFFAOYSA-N 1 2 342.826 3.133 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000675148994 548854886 /nfs/dbraw/zinc/85/48/86/548854886.db2.gz BCRVOSZAJFETTG-UHFFFAOYSA-N 1 2 342.483 3.416 20 30 EGEDLO N#Cc1cccc(C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)c1F ZINC000678716504 549546815 /nfs/dbraw/zinc/54/68/15/549546815.db2.gz XOHLMGIJXSOROD-UHFFFAOYSA-N 1 2 338.382 3.498 20 30 EGEDLO COCC#CC[N@@H+]1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000681168432 549963353 /nfs/dbraw/zinc/96/33/53/549963353.db2.gz JFJXAXVCGAWKBU-OAHLLOKOSA-N 1 2 329.387 3.445 20 30 EGEDLO COCC#CC[N@H+]1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000681168432 549963355 /nfs/dbraw/zinc/96/33/55/549963355.db2.gz JFJXAXVCGAWKBU-OAHLLOKOSA-N 1 2 329.387 3.445 20 30 EGEDLO C=CCSc1ccccc1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000681623747 550018975 /nfs/dbraw/zinc/01/89/75/550018975.db2.gz UYYYFZGJPLOJRT-UHFFFAOYSA-N 1 2 326.421 3.263 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(Cl)ccc2OC(F)F)C1=O ZINC000684966500 550389576 /nfs/dbraw/zinc/38/95/76/550389576.db2.gz HSIRWHULVYTTHR-ZDUSSCGKSA-N 1 2 344.789 3.160 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(Cl)ccc2OC(F)F)C1=O ZINC000684966500 550389578 /nfs/dbraw/zinc/38/95/78/550389578.db2.gz HSIRWHULVYTTHR-ZDUSSCGKSA-N 1 2 344.789 3.160 20 30 EGEDLO O=[N+]([O-])c1ccc(N[NH+]=Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000727251879 574655831 /nfs/dbraw/zinc/65/58/31/574655831.db2.gz JTHSXTXCIWUNOR-UHFFFAOYSA-N 1 2 344.346 3.017 20 30 EGEDLO O=[N+]([O-])c1ccccc1N[NH+]=Cc1ccc(N2CCOCC2)c(F)c1 ZINC000727251695 574655892 /nfs/dbraw/zinc/65/58/92/574655892.db2.gz DHQWVBAOMUASRU-UHFFFAOYSA-N 1 2 344.346 3.017 20 30 EGEDLO CC(=[NH+]Nc1ccc(Br)cc1F)c1csc(N)n1 ZINC000728433074 574749337 /nfs/dbraw/zinc/74/93/37/574749337.db2.gz QOBNFUZBJKKUPJ-UHFFFAOYSA-N 1 2 329.198 3.463 20 30 EGEDLO CC[N@@H+](Cc1ccc(OCC#N)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000729267037 574834430 /nfs/dbraw/zinc/83/44/30/574834430.db2.gz VRZYUCBAKBQCMV-UHFFFAOYSA-N 1 2 348.406 3.260 20 30 EGEDLO CC[N@H+](Cc1ccc(OCC#N)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000729267037 574834432 /nfs/dbraw/zinc/83/44/32/574834432.db2.gz VRZYUCBAKBQCMV-UHFFFAOYSA-N 1 2 348.406 3.260 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000730096044 574919310 /nfs/dbraw/zinc/91/93/10/574919310.db2.gz KBLQFQLZAINWPH-FQEVSTJZSA-N 1 2 344.418 3.062 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000730096044 574919312 /nfs/dbraw/zinc/91/93/12/574919312.db2.gz KBLQFQLZAINWPH-FQEVSTJZSA-N 1 2 344.418 3.062 20 30 EGEDLO COc1ccc(C=NNc2cc[nH+]c3ccccc23)c(OC)c1OC ZINC000730146753 574925015 /nfs/dbraw/zinc/92/50/15/574925015.db2.gz FGZMPGHGDVDFEX-UHFFFAOYSA-N 1 2 337.379 3.129 20 30 EGEDLO C#CCOc1ccccc1C[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000730260680 574963650 /nfs/dbraw/zinc/96/36/50/574963650.db2.gz LEOUXSAPOXHOTI-UHFFFAOYSA-N 1 2 342.826 3.423 20 30 EGEDLO C#CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000730260680 574963652 /nfs/dbraw/zinc/96/36/52/574963652.db2.gz LEOUXSAPOXHOTI-UHFFFAOYSA-N 1 2 342.826 3.423 20 30 EGEDLO C#CC[NH+]1CCN(C(=O)c2ccccc2Nc2ccc(C)cc2)CC1 ZINC000733162834 575311871 /nfs/dbraw/zinc/31/18/71/575311871.db2.gz YIHWOVGVLMLVJB-UHFFFAOYSA-N 1 2 333.435 3.130 20 30 EGEDLO C#CCCOc1ccc(C[NH2+]Cc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000733900970 575407529 /nfs/dbraw/zinc/40/75/29/575407529.db2.gz UFUCSYHILLVVAU-UHFFFAOYSA-N 1 2 332.407 3.164 20 30 EGEDLO C=CC[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccncc1 ZINC000734235980 575459484 /nfs/dbraw/zinc/45/94/84/575459484.db2.gz QDWZPVQOTAWNTJ-LJQANCHMSA-N 1 2 332.407 3.374 20 30 EGEDLO C=CCn1nnn(C[N@H+]2CCCC[C@H]2c2ccc(C)cc2)c1=S ZINC000742157120 576752974 /nfs/dbraw/zinc/75/29/74/576752974.db2.gz NBAFMVJBYWLIMJ-INIZCTEOSA-N 1 2 329.473 3.488 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2CCCC[C@H]2c2ccc(C)cc2)c1=S ZINC000742157120 576752977 /nfs/dbraw/zinc/75/29/77/576752977.db2.gz NBAFMVJBYWLIMJ-INIZCTEOSA-N 1 2 329.473 3.488 20 30 EGEDLO N#CCSc1ccccc1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000743920940 576818434 /nfs/dbraw/zinc/81/84/34/576818434.db2.gz BJZIMGUHIDOMDX-UHFFFAOYSA-N 1 2 337.448 3.048 20 30 EGEDLO CCC(=[NH+]Nc1cccc(-c2nn[nH]n2)c1)c1ccc(N(C)C)cc1 ZINC000820831861 607036211 /nfs/dbraw/zinc/03/62/11/607036211.db2.gz DILNMZMGXGFZPJ-UHFFFAOYSA-N 1 2 335.415 3.159 20 30 EGEDLO Cc1cc(CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)on1 ZINC000064430545 1292056903 /nfs/dbraw/zinc/05/69/03/1292056903.db2.gz LHVCMEJGSTXKKR-UHFFFAOYSA-N 1 2 337.379 3.399 20 30 EGEDLO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000834903347 1293171223 /nfs/dbraw/zinc/17/12/23/1293171223.db2.gz HTOWHUGSHFKZJT-ONGXEEELSA-N 1 2 332.213 3.272 20 30 EGEDLO COc1ccc(N2CC[NH+](Cc3cc(C#N)ccc3F)CC2)cc1F ZINC000122108282 1293401690 /nfs/dbraw/zinc/40/16/90/1293401690.db2.gz BFFBSUBXERTAJC-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO C#CCOc1ccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000130032573 1293643021 /nfs/dbraw/zinc/64/30/21/1293643021.db2.gz ZNRBGMHVEXKQAS-CRAIPNDOSA-N 1 2 338.411 3.010 20 30 EGEDLO C=C(C)C[N@H+](C)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O ZINC000182620859 1295062762 /nfs/dbraw/zinc/06/27/62/1295062762.db2.gz CEJATILGODXIIG-FQEVSTJZSA-N 1 2 337.423 3.072 20 30 EGEDLO C=C(C)C[N@@H+](C)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O ZINC000182620859 1295062772 /nfs/dbraw/zinc/06/27/72/1295062772.db2.gz CEJATILGODXIIG-FQEVSTJZSA-N 1 2 337.423 3.072 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@H](Cc2ccccc2)CC1=O ZINC000872561528 1297005257 /nfs/dbraw/zinc/00/52/57/1297005257.db2.gz GEWYKJJAWZQRJB-HXUWFJFHSA-N 1 2 333.435 3.039 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C[C@H](Cc2ccccc2)CC1=O ZINC000872561528 1297005271 /nfs/dbraw/zinc/00/52/71/1297005271.db2.gz GEWYKJJAWZQRJB-HXUWFJFHSA-N 1 2 333.435 3.039 20 30 EGEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000357123191 1297472352 /nfs/dbraw/zinc/47/23/52/1297472352.db2.gz KCCUDGACBUIKTO-ROUUACIJSA-N 1 2 336.439 3.214 20 30 EGEDLO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000749155078 1299154377 /nfs/dbraw/zinc/15/43/77/1299154377.db2.gz LQOCGCPREKVZMG-ZDUSSCGKSA-N 1 2 343.452 3.101 20 30 EGEDLO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000749155078 1299154384 /nfs/dbraw/zinc/15/43/84/1299154384.db2.gz LQOCGCPREKVZMG-ZDUSSCGKSA-N 1 2 343.452 3.101 20 30 EGEDLO C=CCc1cc(OC)cc(C[N@@H+]2CCCN(C(C)(C)C)CC2)c1O ZINC000754720089 1300200853 /nfs/dbraw/zinc/20/08/53/1300200853.db2.gz JPSTWRXIVVSIDL-UHFFFAOYSA-N 1 2 332.488 3.436 20 30 EGEDLO C=CCc1cc(OC)cc(C[N@H+]2CCCN(C(C)(C)C)CC2)c1O ZINC000754720089 1300200860 /nfs/dbraw/zinc/20/08/60/1300200860.db2.gz JPSTWRXIVVSIDL-UHFFFAOYSA-N 1 2 332.488 3.436 20 30 EGEDLO CN(C)c1ncc(C=[NH+]Nc2ccc(Br)cc2)s1 ZINC000755632315 1300370313 /nfs/dbraw/zinc/37/03/13/1300370313.db2.gz RTXSBKIRMUTTJJ-UHFFFAOYSA-N 1 2 325.235 3.418 20 30 EGEDLO Cc1[nH+]cc(CN=Nc2ccc(C(F)(F)F)nn2)n1-c1ccccc1 ZINC000755817249 1300401311 /nfs/dbraw/zinc/40/13/11/1300401311.db2.gz XCNBJKXBMKHHNO-UHFFFAOYSA-N 1 2 346.316 3.436 20 30 EGEDLO Cc1ccn(C[N@H+]2CCS[C@@H](C)[C@@H]2c2ccccc2)c(=O)c1C#N ZINC000758222198 1300818855 /nfs/dbraw/zinc/81/88/55/1300818855.db2.gz ICTWCIPNTQFRMC-MAUKXSAKSA-N 1 2 339.464 3.165 20 30 EGEDLO Cc1ccn(C[N@@H+]2CCS[C@@H](C)[C@@H]2c2ccccc2)c(=O)c1C#N ZINC000758222198 1300818869 /nfs/dbraw/zinc/81/88/69/1300818869.db2.gz ICTWCIPNTQFRMC-MAUKXSAKSA-N 1 2 339.464 3.165 20 30 EGEDLO C[C@H]1CCCC[C@H]1NC(=S)N[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000758368559 1300863120 /nfs/dbraw/zinc/86/31/20/1300863120.db2.gz YAXAFFAGIMFUSV-GOEBONIOSA-N 1 2 345.516 3.059 20 30 EGEDLO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2nnc(C(C)(C)C)s2)cc1 ZINC000758485694 1300893285 /nfs/dbraw/zinc/89/32/85/1300893285.db2.gz CGAQTCJCIDYYSA-GFCCVEGCSA-N 1 2 330.457 3.416 20 30 EGEDLO CC[N@H+](C)[C@@H](C(=O)OCc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000758950125 1300987527 /nfs/dbraw/zinc/98/75/27/1300987527.db2.gz GQJUCRZCUFAAPL-GOSISDBHSA-N 1 2 326.371 3.434 20 30 EGEDLO CC[N@@H+](C)[C@@H](C(=O)OCc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000758950125 1300987537 /nfs/dbraw/zinc/98/75/37/1300987537.db2.gz GQJUCRZCUFAAPL-GOSISDBHSA-N 1 2 326.371 3.434 20 30 EGEDLO Cc1cc(C(N)=[NH+]OCCCOc2cccc(C#N)c2)ccc1F ZINC000763179708 1301838108 /nfs/dbraw/zinc/83/81/08/1301838108.db2.gz KHIGGOOSONTGTC-UHFFFAOYSA-N 1 2 327.359 3.112 20 30 EGEDLO C#CC[N@@H+](CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000763958417 1301989001 /nfs/dbraw/zinc/98/90/01/1301989001.db2.gz WLYPJLJRMXUTJX-OAQYLSRUSA-N 1 2 332.447 3.184 20 30 EGEDLO C#CC[N@H+](CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000763958417 1301989009 /nfs/dbraw/zinc/98/90/09/1301989009.db2.gz WLYPJLJRMXUTJX-OAQYLSRUSA-N 1 2 332.447 3.184 20 30 EGEDLO C#CC[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1)C1CC1 ZINC000763961032 1301989982 /nfs/dbraw/zinc/98/99/82/1301989982.db2.gz XTTJXRSNPKLJPD-HXUWFJFHSA-N 1 2 338.476 3.360 20 30 EGEDLO C#CC[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1)C1CC1 ZINC000763961032 1301989988 /nfs/dbraw/zinc/98/99/88/1301989988.db2.gz XTTJXRSNPKLJPD-HXUWFJFHSA-N 1 2 338.476 3.360 20 30 EGEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000768427693 1302899672 /nfs/dbraw/zinc/89/96/72/1302899672.db2.gz YFHPWBDFPMTNHQ-HXUWFJFHSA-N 1 2 325.383 3.411 20 30 EGEDLO C#CCOc1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000768427693 1302899678 /nfs/dbraw/zinc/89/96/78/1302899678.db2.gz YFHPWBDFPMTNHQ-HXUWFJFHSA-N 1 2 325.383 3.411 20 30 EGEDLO O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cccc2[nH+]ccn21 ZINC000770397590 1303262110 /nfs/dbraw/zinc/26/21/10/1303262110.db2.gz NEJNSAYUUMDPDW-UHFFFAOYSA-N 1 2 338.370 3.381 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000771465968 1303410006 /nfs/dbraw/zinc/41/00/06/1303410006.db2.gz ZXOAUZPQCQTXTK-UHFFFAOYSA-N 1 2 336.229 3.456 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000771465968 1303410009 /nfs/dbraw/zinc/41/00/09/1303410009.db2.gz ZXOAUZPQCQTXTK-UHFFFAOYSA-N 1 2 336.229 3.456 20 30 EGEDLO C#CC[N@@H+](CN1Cc2ccc(F)cc2C1=O)[C@@H]1CCc2ccccc21 ZINC000771623466 1303425830 /nfs/dbraw/zinc/42/58/30/1303425830.db2.gz OGVBGWXZBRLJBS-HXUWFJFHSA-N 1 2 334.394 3.362 20 30 EGEDLO C#CC[N@H+](CN1Cc2ccc(F)cc2C1=O)[C@@H]1CCc2ccccc21 ZINC000771623466 1303425838 /nfs/dbraw/zinc/42/58/38/1303425838.db2.gz OGVBGWXZBRLJBS-HXUWFJFHSA-N 1 2 334.394 3.362 20 30 EGEDLO N#Cc1ccc(Nc2cccc(C(=O)OCCn3cc[nH+]c3)c2)cc1 ZINC000771978737 1303470128 /nfs/dbraw/zinc/47/01/28/1303470128.db2.gz POKQRYPGRDHARB-UHFFFAOYSA-N 1 2 332.363 3.355 20 30 EGEDLO Cc1cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1C#N ZINC000774888161 1303872646 /nfs/dbraw/zinc/87/26/46/1303872646.db2.gz TXQDLWNUBNYJAZ-HNNXBMFYSA-N 1 2 329.444 3.308 20 30 EGEDLO Cc1cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1C#N ZINC000774888161 1303872651 /nfs/dbraw/zinc/87/26/51/1303872651.db2.gz TXQDLWNUBNYJAZ-HNNXBMFYSA-N 1 2 329.444 3.308 20 30 EGEDLO N#CCCCC[NH+]1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000779228794 1304544513 /nfs/dbraw/zinc/54/45/13/1304544513.db2.gz JJXGDVMUKUGQHI-UHFFFAOYSA-N 1 2 333.304 3.198 20 30 EGEDLO CC(=NNC1=[NH+]C[C@H](C)N1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000779791853 1304606163 /nfs/dbraw/zinc/60/61/63/1304606163.db2.gz GOUVNKNNVTYFJD-LBPRGKRZSA-N 1 2 326.375 3.279 20 30 EGEDLO Cc1csc(CO[NH+]=C(N)c2ccc(Br)cc2)n1 ZINC000782949806 1305027843 /nfs/dbraw/zinc/02/78/43/1305027843.db2.gz MMONJXGHZOOOJU-UHFFFAOYSA-N 1 2 326.219 3.051 20 30 EGEDLO Cc1cc(Br)cn2c(/C=C/C(=O)c3cnccn3)c[nH+]c12 ZINC000783705925 1305130481 /nfs/dbraw/zinc/13/04/81/1305130481.db2.gz DDJATMGLDGZZPG-NSCUHMNNSA-N 1 2 343.184 3.091 20 30 EGEDLO Cc1cc(Br)cn2c(/C=C\C(=O)c3cnn(C)c3)c[nH+]c12 ZINC000783708017 1305130690 /nfs/dbraw/zinc/13/06/90/1305130690.db2.gz NIXCLGPNJOGNNR-ARJAWSKDSA-N 1 2 345.200 3.035 20 30 EGEDLO CC(C)(C#N)CCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785679745 1305405542 /nfs/dbraw/zinc/40/55/42/1305405542.db2.gz XYNAXUIPPNVJDG-UHFFFAOYSA-N 1 2 342.355 3.267 20 30 EGEDLO C#CC(C)(C)[N@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000787997890 1305840642 /nfs/dbraw/zinc/84/06/42/1305840642.db2.gz CUTCWODFZXZUGZ-UHFFFAOYSA-N 1 2 329.469 3.171 20 30 EGEDLO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000787997890 1305840655 /nfs/dbraw/zinc/84/06/55/1305840655.db2.gz CUTCWODFZXZUGZ-UHFFFAOYSA-N 1 2 329.469 3.171 20 30 EGEDLO CCN(C)c1ccc(C=[NH+]NC(=S)Nc2ccccc2C)cn1 ZINC000790144648 1306267629 /nfs/dbraw/zinc/26/76/29/1306267629.db2.gz XBBIYKAWMANCBR-UHFFFAOYSA-N 1 2 327.457 3.167 20 30 EGEDLO COC(=O)c1cccc(N[NH+]=Cc2ccc(N(C)C(C)C)nc2)c1 ZINC000790174755 1306272675 /nfs/dbraw/zinc/27/26/75/1306272675.db2.gz WEUBZMKQZWXCQK-UHFFFAOYSA-N 1 2 326.400 3.159 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccc(C3CC3)cc2)[C@@H](C#N)C1 ZINC000790709222 1308854457 /nfs/dbraw/zinc/85/44/57/1308854457.db2.gz AZSPMMGWXWLOPR-ROUUACIJSA-N 1 2 341.455 3.413 20 30 EGEDLO C#CC[N@@H+](C)CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000792305250 1309158193 /nfs/dbraw/zinc/15/81/93/1309158193.db2.gz GLHDQSXFEUQING-IBGZPJMESA-N 1 2 326.827 3.111 20 30 EGEDLO C#CC[N@H+](C)CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000792305250 1309158198 /nfs/dbraw/zinc/15/81/98/1309158198.db2.gz GLHDQSXFEUQING-IBGZPJMESA-N 1 2 326.827 3.111 20 30 EGEDLO NC(=[NH+]OCc1ccn(-c2ccc(F)cc2F)n1)c1ccc(F)cc1 ZINC000792730022 1309218754 /nfs/dbraw/zinc/21/87/54/1309218754.db2.gz INIUINPOBCKVEM-UHFFFAOYSA-N 1 2 346.312 3.127 20 30 EGEDLO C[C@H]1CC[N@H+](Cn2nc(CC#N)n(C)c2=S)CC12CCCCC2 ZINC000794640712 1309561985 /nfs/dbraw/zinc/56/19/85/1309561985.db2.gz RJIAGZINSWCWOI-AWEZNQCLSA-N 1 2 333.505 3.267 20 30 EGEDLO C[C@H]1CC[N@@H+](Cn2nc(CC#N)n(C)c2=S)CC12CCCCC2 ZINC000794640712 1309561989 /nfs/dbraw/zinc/56/19/89/1309561989.db2.gz RJIAGZINSWCWOI-AWEZNQCLSA-N 1 2 333.505 3.267 20 30 EGEDLO CC(C)[C@@H]1c2ccccc2CC[N@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794635567 1309562606 /nfs/dbraw/zinc/56/26/06/1309562606.db2.gz XOMDUAOWYQNABM-QGZVFWFLSA-N 1 2 341.484 3.230 20 30 EGEDLO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794635567 1309562615 /nfs/dbraw/zinc/56/26/15/1309562615.db2.gz XOMDUAOWYQNABM-QGZVFWFLSA-N 1 2 341.484 3.230 20 30 EGEDLO COc1ccc2c(c1)CC/C(=C\c1ncc(C[NH+](C)C)s1)C2=O ZINC000794695454 1309576274 /nfs/dbraw/zinc/57/62/74/1309576274.db2.gz ONNYXWXSZBUSMK-UKTHLTGXSA-N 1 2 328.437 3.426 20 30 EGEDLO C[C@@H]1c2c(c(O)ccc2F)C(=O)/C1=C\c1ncc(C[NH+](C)C)s1 ZINC000794700809 1309577928 /nfs/dbraw/zinc/57/79/28/1309577928.db2.gz YXMMVMOGOVCNGT-ISAHRAOESA-N 1 2 332.400 3.433 20 30 EGEDLO COc1ccc2c(c1)C(=O)/C(=C/c1ncc(C[NH+](C)C)s1)CC2 ZINC000794698739 1309578194 /nfs/dbraw/zinc/57/81/94/1309578194.db2.gz BHHVBCSGLHNQLD-MDWZMJQESA-N 1 2 328.437 3.426 20 30 EGEDLO COC(=O)c1csc(C(C)=NNc2cc[nH+]c3ccccc23)c1 ZINC000794908426 1309620242 /nfs/dbraw/zinc/62/02/42/1309620242.db2.gz GGDPWHCNBHITKX-UHFFFAOYSA-N 1 2 325.393 3.341 20 30 EGEDLO COCCN(C)N=C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000794969583 1309636615 /nfs/dbraw/zinc/63/66/15/1309636615.db2.gz HPKCIZHTUZCBEN-UHFFFAOYSA-N 1 2 327.831 3.009 20 30 EGEDLO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cccc(Br)c1O ZINC000797877843 1310260517 /nfs/dbraw/zinc/26/05/17/1310260517.db2.gz DWLFDENZWLZPNT-SWLSCSKDSA-N 1 2 326.234 3.226 20 30 EGEDLO Cc1cc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)ccc1Cl ZINC000798276195 1310334712 /nfs/dbraw/zinc/33/47/12/1310334712.db2.gz ZJLUHMXEMQYAKH-ZBFHGGJFSA-N 1 2 349.862 3.497 20 30 EGEDLO N#CC1(CCCO[NH+]=C(N)Cc2ccccc2Cl)CCOCC1 ZINC000799175023 1310498536 /nfs/dbraw/zinc/49/85/36/1310498536.db2.gz QRQVLSIOIHCRPA-UHFFFAOYSA-N 1 2 335.835 3.482 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799191464 1310504240 /nfs/dbraw/zinc/50/42/40/1310504240.db2.gz LKNRZRDTCPIZKY-CQSZACIVSA-N 1 2 340.814 3.035 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799191464 1310504247 /nfs/dbraw/zinc/50/42/47/1310504247.db2.gz LKNRZRDTCPIZKY-CQSZACIVSA-N 1 2 340.814 3.035 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(-c3ccccc3)ccn2)C1 ZINC000957040641 1317143554 /nfs/dbraw/zinc/14/35/54/1317143554.db2.gz BRLDPCJTDWSQAL-UHFFFAOYSA-N 1 2 335.451 3.471 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)C1 ZINC000957409549 1317341859 /nfs/dbraw/zinc/34/18/59/1317341859.db2.gz ZLDLFDBCGFRPLZ-RDJZCZTQSA-N 1 2 334.410 3.177 20 30 EGEDLO N#CC(C(=O)C1CC[NH+](C2CC2)CC1)c1nc2cc(F)ccc2s1 ZINC000805877443 1317433509 /nfs/dbraw/zinc/43/35/09/1317433509.db2.gz HSEUKAJPSDJBRJ-CQSZACIVSA-N 1 2 343.427 3.486 20 30 EGEDLO C=C(C)C[NH+]1CCC2(CCN(C(=O)C(F)C(F)(F)F)CC2)CC1 ZINC000957552467 1317449022 /nfs/dbraw/zinc/44/90/22/1317449022.db2.gz QQXKBMUGBLXGGF-CYBMUJFWSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)CC1 ZINC000957552467 1317449026 /nfs/dbraw/zinc/44/90/26/1317449026.db2.gz QQXKBMUGBLXGGF-CYBMUJFWSA-N 1 2 336.373 3.168 20 30 EGEDLO Cc1cc(C(N)=[NH+]OC[C@H]2CCCN(C(=O)C(C)(C)C)C2)ccc1F ZINC000902220791 1317547110 /nfs/dbraw/zinc/54/71/10/1317547110.db2.gz AHATZWDXBBWXPK-AWEZNQCLSA-N 1 2 349.450 3.056 20 30 EGEDLO C=CCCCCCCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000807442463 1317567127 /nfs/dbraw/zinc/56/71/27/1317567127.db2.gz GFQZVHMKJRRZRR-UHFFFAOYSA-N 1 2 340.427 3.064 20 30 EGEDLO CC[C@@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1cccc(C#N)c1 ZINC000902958745 1317634113 /nfs/dbraw/zinc/63/41/13/1317634113.db2.gz SLVZTOINIHJLEV-GOSISDBHSA-N 1 2 347.422 3.496 20 30 EGEDLO C=CCn1cc(C[NH2+][C@@H]2CCCc3c(OC)ccc(Cl)c32)nn1 ZINC000903193381 1317670854 /nfs/dbraw/zinc/67/08/54/1317670854.db2.gz VXIYBYOJEMCGGZ-OAHLLOKOSA-N 1 2 332.835 3.293 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000811735560 1318243997 /nfs/dbraw/zinc/24/39/97/1318243997.db2.gz QAWXVOIACVRYIR-SFHVURJKSA-N 1 2 328.456 3.288 20 30 EGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000811735560 1318244006 /nfs/dbraw/zinc/24/40/06/1318244006.db2.gz QAWXVOIACVRYIR-SFHVURJKSA-N 1 2 328.456 3.288 20 30 EGEDLO C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1n[nH]c2ccc(C)cc21 ZINC000960279896 1318442388 /nfs/dbraw/zinc/44/23/88/1318442388.db2.gz BGGRRTHHRAQURQ-RTBURBONSA-N 1 2 346.434 3.043 20 30 EGEDLO CCc1ccc(C#CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000814641842 1318791777 /nfs/dbraw/zinc/79/17/77/1318791777.db2.gz LQZGJFOGNQBKHG-UHFFFAOYSA-N 1 2 329.403 3.103 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCCC#C[Si](C)(C)C ZINC000912328512 1318870564 /nfs/dbraw/zinc/87/05/64/1318870564.db2.gz JMIQOKMXKGHLRL-UHFFFAOYSA-N 1 2 349.457 3.010 20 30 EGEDLO CC(C)[C@H](F)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000960801028 1318912005 /nfs/dbraw/zinc/91/20/05/1318912005.db2.gz CCZAUVSUDCPSJI-ROUUACIJSA-N 1 2 349.425 3.114 20 30 EGEDLO CC(C)[C@H](F)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000960801028 1318912013 /nfs/dbraw/zinc/91/20/13/1318912013.db2.gz CCZAUVSUDCPSJI-ROUUACIJSA-N 1 2 349.425 3.114 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2ncc(CC)o2)CC1 ZINC000960839695 1318971942 /nfs/dbraw/zinc/97/19/42/1318971942.db2.gz STKXCQJAQVDPLC-KRWDZBQOSA-N 1 2 345.487 3.406 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2ncc(CC)o2)CC1 ZINC000960839695 1318971951 /nfs/dbraw/zinc/97/19/51/1318971951.db2.gz STKXCQJAQVDPLC-KRWDZBQOSA-N 1 2 345.487 3.406 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2csc(C)n2)C1 ZINC000960848901 1318988072 /nfs/dbraw/zinc/98/80/72/1318988072.db2.gz DEIVTMSMZSGLMU-INIZCTEOSA-N 1 2 333.501 3.231 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2csc(C)n2)C1 ZINC000960848901 1318988079 /nfs/dbraw/zinc/98/80/79/1318988079.db2.gz DEIVTMSMZSGLMU-INIZCTEOSA-N 1 2 333.501 3.231 20 30 EGEDLO Cc1ccccc1NC(=S)NN=C1CCN(c2cccc[nH+]2)CC1 ZINC000915937303 1319565101 /nfs/dbraw/zinc/56/51/01/1319565101.db2.gz NCPSQWLXNODANQ-UHFFFAOYSA-N 1 2 339.468 3.333 20 30 EGEDLO C[C@H]1CN(c2ccccc2C=[NH+]Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000915932888 1319565151 /nfs/dbraw/zinc/56/51/51/1319565151.db2.gz DQVMCSAVMYTECJ-AWEZNQCLSA-N 1 2 340.383 3.266 20 30 EGEDLO C#C[C@H](CCC)NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000820647862 1319927602 /nfs/dbraw/zinc/92/76/02/1319927602.db2.gz WNQYVYWHSPXCEQ-QRQLOZEOSA-N 1 2 336.439 3.213 20 30 EGEDLO Cc1nc(NCc2cccc(C(=O)OCC3(C#N)CCC3)c2)cc[nH+]1 ZINC000837631106 1320657724 /nfs/dbraw/zinc/65/77/24/1320657724.db2.gz ITWPTUMDHNHWRK-UHFFFAOYSA-N 1 2 336.395 3.248 20 30 EGEDLO C=c1[nH]c(=O)[nH]c(=O)c1=C(C)[NH2+]Nc1cccc(C(F)(F)F)c1 ZINC000839383118 1320911187 /nfs/dbraw/zinc/91/11/87/1320911187.db2.gz FIXMZPFYBMNSLF-UHFFFAOYSA-N 1 2 326.278 3.051 20 30 EGEDLO CCCCCCCCCN(C)C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000839470705 1320926672 /nfs/dbraw/zinc/92/66/72/1320926672.db2.gz SWDRSNJVUPSRNM-UHFFFAOYSA-N 1 2 344.459 3.482 20 30 EGEDLO C#CCOc1ccc([C@H](C)[NH2+]Cc2nccc(C(F)(F)F)n2)cc1 ZINC000840867035 1321165386 /nfs/dbraw/zinc/16/53/86/1321165386.db2.gz XKZKLUXEYIURFN-LBPRGKRZSA-N 1 2 335.329 3.358 20 30 EGEDLO C#CC1CC[NH+](Cc2cnc3c(C)cc(Br)cn23)CC1 ZINC000843427003 1321517298 /nfs/dbraw/zinc/51/72/98/1321517298.db2.gz QFYGKPZGFFTGTF-UHFFFAOYSA-N 1 2 332.245 3.250 20 30 EGEDLO C[C@H](C#N)OCC[NH+]1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000844377986 1321596721 /nfs/dbraw/zinc/59/67/21/1321596721.db2.gz LBPJRJZOFKZIBT-GFCCVEGCSA-N 1 2 328.243 3.044 20 30 EGEDLO O=C(NC[C@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1)c1ccco1 ZINC001024302796 1323284828 /nfs/dbraw/zinc/28/48/28/1323284828.db2.gz AQLJXRFYBHIOAC-GOSISDBHSA-N 1 2 340.398 3.055 20 30 EGEDLO O=C(NC[C@H]1CCCC[N@@H+]1CC#Cc1ccc(F)cc1)c1ccco1 ZINC001024302796 1323284837 /nfs/dbraw/zinc/28/48/37/1323284837.db2.gz AQLJXRFYBHIOAC-GOSISDBHSA-N 1 2 340.398 3.055 20 30 EGEDLO Cc1ccncc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001024377311 1323349145 /nfs/dbraw/zinc/34/91/45/1323349145.db2.gz PONGEXGMRGFRSD-LJQANCHMSA-N 1 2 348.450 3.046 20 30 EGEDLO Cc1ccncc1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001024377311 1323349151 /nfs/dbraw/zinc/34/91/51/1323349151.db2.gz PONGEXGMRGFRSD-LJQANCHMSA-N 1 2 348.450 3.046 20 30 EGEDLO C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1n[nH]c2ccc(C)cc21 ZINC001024528571 1323474910 /nfs/dbraw/zinc/47/49/10/1323474910.db2.gz KLKHMYPRQKTZMP-MRXNPFEDSA-N 1 2 340.471 3.422 20 30 EGEDLO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1n[nH]c2ccc(C)cc21 ZINC001024528571 1323474919 /nfs/dbraw/zinc/47/49/19/1323474919.db2.gz KLKHMYPRQKTZMP-MRXNPFEDSA-N 1 2 340.471 3.422 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1nc(Cl)sc1C ZINC001024548095 1323489458 /nfs/dbraw/zinc/48/94/58/1323489458.db2.gz UOKNAXXHTCFNOJ-NSHDSACASA-N 1 2 348.299 3.442 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1nc(Cl)sc1C ZINC001024548095 1323489460 /nfs/dbraw/zinc/48/94/60/1323489460.db2.gz UOKNAXXHTCFNOJ-NSHDSACASA-N 1 2 348.299 3.442 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2ccccc2O1 ZINC001024714625 1323622603 /nfs/dbraw/zinc/62/26/03/1323622603.db2.gz YWAGMRAIFDONCI-WMZOPIPTSA-N 1 2 348.874 3.103 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2ccccc2O1 ZINC001024714625 1323622610 /nfs/dbraw/zinc/62/26/10/1323622610.db2.gz YWAGMRAIFDONCI-WMZOPIPTSA-N 1 2 348.874 3.103 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1c[nH]nc1-c1ccco1 ZINC001024808193 1323710920 /nfs/dbraw/zinc/71/09/20/1323710920.db2.gz FLPVYZAGBGGUON-ZDUSSCGKSA-N 1 2 348.834 3.007 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1c[nH]nc1-c1ccco1 ZINC001024808193 1323710926 /nfs/dbraw/zinc/71/09/26/1323710926.db2.gz FLPVYZAGBGGUON-ZDUSSCGKSA-N 1 2 348.834 3.007 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc2oc(C)nc21 ZINC001024816619 1323719421 /nfs/dbraw/zinc/71/94/21/1323719421.db2.gz NIPVUVKRFSJPJB-CQSZACIVSA-N 1 2 347.846 3.473 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc2oc(C)nc21 ZINC001024816619 1323719424 /nfs/dbraw/zinc/71/94/24/1323719424.db2.gz NIPVUVKRFSJPJB-CQSZACIVSA-N 1 2 347.846 3.473 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCCC[C@H]1C[NH2+]Cc1nc(C2CC2)no1 ZINC001025069287 1323868724 /nfs/dbraw/zinc/86/87/24/1323868724.db2.gz GZXAYISOSZDFTO-HNAYVOBHSA-N 1 2 346.475 3.020 20 30 EGEDLO CC(=[NH+]Nc1ccnc(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000853394230 1325088353 /nfs/dbraw/zinc/08/83/53/1325088353.db2.gz JKQFFYUHPRTEFG-UHFFFAOYSA-N 1 2 330.819 3.408 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CCN(c2ncccc2F)C1 ZINC000853439265 1325092090 /nfs/dbraw/zinc/09/20/90/1325092090.db2.gz CBPUYGZEGXLDGA-OAHLLOKOSA-N 1 2 340.402 3.099 20 30 EGEDLO CC[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1cccc(C#N)c1O ZINC000925574775 1325217411 /nfs/dbraw/zinc/21/74/11/1325217411.db2.gz DORVGMKMIJLJTE-QILLFSRXSA-N 1 2 332.469 3.359 20 30 EGEDLO C[C@H](C#N)C(=O)N1CCC[C@H]([N@H+](C)Cc2csc(C(C)(C)C)n2)C1 ZINC001027330508 1325488643 /nfs/dbraw/zinc/48/86/43/1325488643.db2.gz RKWFHWOJGOBNQA-HIFRSBDPSA-N 1 2 348.516 3.023 20 30 EGEDLO C[C@H](C#N)C(=O)N1CCC[C@H]([N@@H+](C)Cc2csc(C(C)(C)C)n2)C1 ZINC001027330508 1325488647 /nfs/dbraw/zinc/48/86/47/1325488647.db2.gz RKWFHWOJGOBNQA-HIFRSBDPSA-N 1 2 348.516 3.023 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)c2cc(C)co2)C1 ZINC001027540519 1327841393 /nfs/dbraw/zinc/84/13/93/1327841393.db2.gz YQBRXRIOJVYEAT-ZDUSSCGKSA-N 1 2 341.249 3.033 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)c2cc(C)co2)C1 ZINC001027540519 1327841397 /nfs/dbraw/zinc/84/13/97/1327841397.db2.gz YQBRXRIOJVYEAT-ZDUSSCGKSA-N 1 2 341.249 3.033 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001027565589 1327891428 /nfs/dbraw/zinc/89/14/28/1327891428.db2.gz YOGWHIUKNZEZFX-RBSFLKMASA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001027565589 1327891431 /nfs/dbraw/zinc/89/14/31/1327891431.db2.gz YOGWHIUKNZEZFX-RBSFLKMASA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)C1CCCCC1 ZINC001027729097 1328151896 /nfs/dbraw/zinc/15/18/96/1328151896.db2.gz OTUJWORKAYRUEC-AWEZNQCLSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)C1CCCCC1 ZINC001027729097 1328151899 /nfs/dbraw/zinc/15/18/99/1328151899.db2.gz OTUJWORKAYRUEC-AWEZNQCLSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1C ZINC001027730407 1328154220 /nfs/dbraw/zinc/15/42/20/1328154220.db2.gz PHYGPYWFPAWHFV-AWEZNQCLSA-N 1 2 337.261 3.098 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1C ZINC001027730407 1328154224 /nfs/dbraw/zinc/15/42/24/1328154224.db2.gz PHYGPYWFPAWHFV-AWEZNQCLSA-N 1 2 337.261 3.098 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)o1 ZINC001027757312 1328194724 /nfs/dbraw/zinc/19/47/24/1328194724.db2.gz YDNGYKBFIKNZAN-OAHLLOKOSA-N 1 2 343.814 3.199 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)o1 ZINC001027757312 1328194731 /nfs/dbraw/zinc/19/47/31/1328194731.db2.gz YDNGYKBFIKNZAN-OAHLLOKOSA-N 1 2 343.814 3.199 20 30 EGEDLO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2C#N)oc1C ZINC001027821875 1328278272 /nfs/dbraw/zinc/27/82/72/1328278272.db2.gz TWCIVAJCSUOUFD-GOSISDBHSA-N 1 2 337.423 3.163 20 30 EGEDLO Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2C#N)oc1C ZINC001027821875 1328278276 /nfs/dbraw/zinc/27/82/76/1328278276.db2.gz TWCIVAJCSUOUFD-GOSISDBHSA-N 1 2 337.423 3.163 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1c(F)ccc2ccncc21 ZINC001027898246 1328363981 /nfs/dbraw/zinc/36/39/81/1328363981.db2.gz XITFNNOUTFCXMB-CQSZACIVSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c(F)ccc2ccncc21 ZINC001027898246 1328363992 /nfs/dbraw/zinc/36/39/92/1328363992.db2.gz XITFNNOUTFCXMB-CQSZACIVSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3nc(C)oc3c2)C1 ZINC000966874261 1328446627 /nfs/dbraw/zinc/44/66/27/1328446627.db2.gz FFWRUIHVKGEHAF-BZNIZROVSA-N 1 2 347.846 3.329 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3nc(C)oc3c2)C1 ZINC000966874261 1328446633 /nfs/dbraw/zinc/44/66/33/1328446633.db2.gz FFWRUIHVKGEHAF-BZNIZROVSA-N 1 2 347.846 3.329 20 30 EGEDLO C=CCOc1ccccc1C(=O)NC[C@@H]1CCC[N@H+]1CC(=C)Cl ZINC001027976835 1328452721 /nfs/dbraw/zinc/45/27/21/1328452721.db2.gz HQRQDPPZVSSIAR-HNNXBMFYSA-N 1 2 334.847 3.198 20 30 EGEDLO C=CCOc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+]1CC(=C)Cl ZINC001027976835 1328452724 /nfs/dbraw/zinc/45/27/24/1328452724.db2.gz HQRQDPPZVSSIAR-HNNXBMFYSA-N 1 2 334.847 3.198 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC001028010609 1328473662 /nfs/dbraw/zinc/47/36/62/1328473662.db2.gz XKLXJGCNWDHEHI-OAHLLOKOSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC001028010609 1328473666 /nfs/dbraw/zinc/47/36/66/1328473666.db2.gz XKLXJGCNWDHEHI-OAHLLOKOSA-N 1 2 344.846 3.023 20 30 EGEDLO C#CCOc1ccc(C[N@@H+]2CCc3nc(C(C)(C)C)ncc3C2)cc1 ZINC000862440858 1329487419 /nfs/dbraw/zinc/48/74/19/1329487419.db2.gz OWGZGAPKEPIVOM-UHFFFAOYSA-N 1 2 335.451 3.344 20 30 EGEDLO C#CCOc1ccc(C[N@H+]2CCc3nc(C(C)(C)C)ncc3C2)cc1 ZINC000862440858 1329487421 /nfs/dbraw/zinc/48/74/21/1329487421.db2.gz OWGZGAPKEPIVOM-UHFFFAOYSA-N 1 2 335.451 3.344 20 30 EGEDLO c1ccc(COCCCNN=C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000863178077 1329531983 /nfs/dbraw/zinc/53/19/83/1329531983.db2.gz AERLXAXGJSNPOV-UHFFFAOYSA-N 1 2 338.455 3.234 20 30 EGEDLO Cc1cc(C)cc(N[NH+]=Cc2c(Cl)nc(N)nc2N2CCCC2)c1 ZINC000863966732 1329591612 /nfs/dbraw/zinc/59/16/12/1329591612.db2.gz MQJCQWFPWVBKMM-UHFFFAOYSA-N 1 2 344.850 3.375 20 30 EGEDLO C=CCC[C@H](O)C[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000931800006 1329762306 /nfs/dbraw/zinc/76/23/06/1329762306.db2.gz MAQCBJKPNYBPMM-MAUKXSAKSA-N 1 2 331.847 3.338 20 30 EGEDLO C=CCC[C@H](O)C[N@H+]1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000931800006 1329762308 /nfs/dbraw/zinc/76/23/08/1329762308.db2.gz MAQCBJKPNYBPMM-MAUKXSAKSA-N 1 2 331.847 3.338 20 30 EGEDLO C[N@H+](CC(=O)NCCC1=CCCCC1)Cc1ccc(C#N)c(F)c1 ZINC000933359207 1329882468 /nfs/dbraw/zinc/88/24/68/1329882468.db2.gz YPQMNMAOLDTLJZ-UHFFFAOYSA-N 1 2 329.419 3.136 20 30 EGEDLO C[N@@H+](CC(=O)NCCC1=CCCCC1)Cc1ccc(C#N)c(F)c1 ZINC000933359207 1329882469 /nfs/dbraw/zinc/88/24/69/1329882469.db2.gz YPQMNMAOLDTLJZ-UHFFFAOYSA-N 1 2 329.419 3.136 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccoc2C)C[C@H]1C ZINC000947033116 1332984373 /nfs/dbraw/zinc/98/43/73/1332984373.db2.gz YVMGOBDJAUJYBL-YPMHNXCESA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccoc2C)C[C@H]1C ZINC000947033116 1332984369 /nfs/dbraw/zinc/98/43/69/1332984369.db2.gz YVMGOBDJAUJYBL-YPMHNXCESA-N 1 2 341.249 3.079 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)c2ccoc2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947060883 1332996867 /nfs/dbraw/zinc/99/68/67/1332996867.db2.gz KLPPVCIBMDMGRN-UGSOOPFHSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)c2ccoc2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947060883 1332996872 /nfs/dbraw/zinc/99/68/72/1332996872.db2.gz KLPPVCIBMDMGRN-UGSOOPFHSA-N 1 2 341.386 3.073 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2coc(C)c2)C[C@H]1C ZINC000947245475 1333063139 /nfs/dbraw/zinc/06/31/39/1333063139.db2.gz SVHRXAMSRQKKMO-BXUZGUMPSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2coc(C)c2)C[C@H]1C ZINC000947245475 1333063141 /nfs/dbraw/zinc/06/31/41/1333063141.db2.gz SVHRXAMSRQKKMO-BXUZGUMPSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CCC[N@@H+]([C@H](C)c3csnn3)CC2)C1 ZINC000948752759 1333661920 /nfs/dbraw/zinc/66/19/20/1333661920.db2.gz CDUOBXGEJNKUKI-HUUCEWRRSA-N 1 2 348.516 3.268 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CCC[N@H+]([C@H](C)c3csnn3)CC2)C1 ZINC000948752759 1333661922 /nfs/dbraw/zinc/66/19/22/1333661922.db2.gz CDUOBXGEJNKUKI-HUUCEWRRSA-N 1 2 348.516 3.268 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C)n(CC)c1C ZINC000948932896 1333738398 /nfs/dbraw/zinc/73/83/98/1333738398.db2.gz PHJASPDQAKUADT-OAQYLSRUSA-N 1 2 349.478 3.087 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C)n(CC)c1C ZINC000948932896 1333738400 /nfs/dbraw/zinc/73/84/00/1333738400.db2.gz PHJASPDQAKUADT-OAQYLSRUSA-N 1 2 349.478 3.087 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCCC(F)(F)C1 ZINC000948958912 1333748288 /nfs/dbraw/zinc/74/82/88/1333748288.db2.gz RISDQQDFQFGJNC-FUHWJXTLSA-N 1 2 346.421 3.161 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCCC(F)(F)C1 ZINC000948958912 1333748290 /nfs/dbraw/zinc/74/82/90/1333748290.db2.gz RISDQQDFQFGJNC-FUHWJXTLSA-N 1 2 346.421 3.161 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(C)nc1C ZINC000948986853 1333760567 /nfs/dbraw/zinc/76/05/67/1333760567.db2.gz QFKZFLXHCWSGNH-NRFANRHFSA-N 1 2 347.462 3.051 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(C)nc1C ZINC000948986853 1333760570 /nfs/dbraw/zinc/76/05/70/1333760570.db2.gz QFKZFLXHCWSGNH-NRFANRHFSA-N 1 2 347.462 3.051 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC2CCC1CC2 ZINC000948987322 1333761312 /nfs/dbraw/zinc/76/13/12/1333761312.db2.gz XNZYQSBAXICIMG-KPZFLHEBSA-N 1 2 336.479 3.162 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC2CCC1CC2 ZINC000948987322 1333761313 /nfs/dbraw/zinc/76/13/13/1333761313.db2.gz XNZYQSBAXICIMG-KPZFLHEBSA-N 1 2 336.479 3.162 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000950051813 1334003465 /nfs/dbraw/zinc/00/34/65/1334003465.db2.gz VVMFURVUFXLPLT-HXUWFJFHSA-N 1 2 336.520 3.472 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@H](CC)c2ccc(F)cc2)CC1 ZINC000950597383 1334094521 /nfs/dbraw/zinc/09/45/21/1334094521.db2.gz PGGRTKDDLYTPSZ-QRVBRYPASA-N 1 2 346.446 3.012 20 30 EGEDLO C=C1CCC(C(=O)N(CC)C2C[NH+](Cc3cccc(OC)c3)C2)CC1 ZINC000951619363 1334279984 /nfs/dbraw/zinc/27/99/84/1334279984.db2.gz GEAQYFWSYJDMNZ-UHFFFAOYSA-N 1 2 342.483 3.474 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC000968194596 1335869088 /nfs/dbraw/zinc/86/90/88/1335869088.db2.gz ZILMLGYHHQQMDC-YJBOKZPZSA-N 1 2 334.891 3.425 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC000968194596 1335869093 /nfs/dbraw/zinc/86/90/93/1335869093.db2.gz ZILMLGYHHQQMDC-YJBOKZPZSA-N 1 2 334.891 3.425 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(F)c(OC)c2)C1 ZINC000968345189 1335895605 /nfs/dbraw/zinc/89/56/05/1335895605.db2.gz IQJVYAACJCICOK-NHYWBVRUSA-N 1 2 340.826 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(F)c(OC)c2)C1 ZINC000968345189 1335895607 /nfs/dbraw/zinc/89/56/07/1335895607.db2.gz IQJVYAACJCICOK-NHYWBVRUSA-N 1 2 340.826 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC000968364864 1335904348 /nfs/dbraw/zinc/90/43/48/1335904348.db2.gz KSIRFZZFEGCPOK-YVEFUNNKSA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC000968364864 1335904351 /nfs/dbraw/zinc/90/43/51/1335904351.db2.gz KSIRFZZFEGCPOK-YVEFUNNKSA-N 1 2 331.847 3.361 20 30 EGEDLO C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(-c3ccco3)s2)C1 ZINC000968488862 1335938558 /nfs/dbraw/zinc/93/85/58/1335938558.db2.gz MLKZAUUHIICIGL-ZIAGYGMSSA-N 1 2 328.437 3.082 20 30 EGEDLO C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(-c3ccco3)s2)C1 ZINC000968488862 1335938559 /nfs/dbraw/zinc/93/85/59/1335938559.db2.gz MLKZAUUHIICIGL-ZIAGYGMSSA-N 1 2 328.437 3.082 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3ccccc3n2)C1 ZINC000968578945 1335969326 /nfs/dbraw/zinc/96/93/26/1335969326.db2.gz KHBCPTVENREYCW-FZKQIMNGSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3ccccc3n2)C1 ZINC000968578945 1335969329 /nfs/dbraw/zinc/96/93/29/1335969329.db2.gz KHBCPTVENREYCW-FZKQIMNGSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1cc(Cl)no1 ZINC000969121467 1336150806 /nfs/dbraw/zinc/15/08/06/1336150806.db2.gz JGGWSCREBSVFJI-NSHDSACASA-N 1 2 332.231 3.055 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1cc(Cl)no1 ZINC000969121467 1336150808 /nfs/dbraw/zinc/15/08/08/1336150808.db2.gz JGGWSCREBSVFJI-NSHDSACASA-N 1 2 332.231 3.055 20 30 EGEDLO C[C@H](NC(=O)C1CCCCC1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969218852 1336179945 /nfs/dbraw/zinc/17/99/45/1336179945.db2.gz GKKIRDNVBMOCQK-AWEZNQCLSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC000970162788 1336286886 /nfs/dbraw/zinc/28/68/86/1336286886.db2.gz YTOQQNXTKMMJFO-GFCCVEGCSA-N 1 2 327.255 3.451 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cccc(Cl)c2F)C1 ZINC000970363489 1336298011 /nfs/dbraw/zinc/29/80/11/1336298011.db2.gz MVICOOZQZFCCIZ-JTQLQIEISA-N 1 2 331.218 3.282 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(Cl)ccc2C)C1 ZINC000970610947 1336327360 /nfs/dbraw/zinc/32/73/60/1336327360.db2.gz WDSLNQZNCYQDDD-LBPRGKRZSA-N 1 2 327.255 3.451 20 30 EGEDLO CC(C)(F)C(=O)N[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001006551858 1336524151 /nfs/dbraw/zinc/52/41/51/1336524151.db2.gz JQDQYTWFIFNMCD-INIZCTEOSA-N 1 2 336.838 3.020 20 30 EGEDLO CC(C)(F)C(=O)N[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001006551858 1336524155 /nfs/dbraw/zinc/52/41/55/1336524155.db2.gz JQDQYTWFIFNMCD-INIZCTEOSA-N 1 2 336.838 3.020 20 30 EGEDLO CC1(C)C(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)C1(C)C ZINC001007030276 1336628758 /nfs/dbraw/zinc/62/87/58/1336628758.db2.gz WSDDOSJWMJMHKC-KRWDZBQOSA-N 1 2 339.483 3.321 20 30 EGEDLO CC1(C)C(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)C1(C)C ZINC001007030276 1336628763 /nfs/dbraw/zinc/62/87/63/1336628763.db2.gz WSDDOSJWMJMHKC-KRWDZBQOSA-N 1 2 339.483 3.321 20 30 EGEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)C1(F)CCCC1 ZINC001007714250 1336689883 /nfs/dbraw/zinc/68/98/83/1336689883.db2.gz WYKCDQIYUTVJKO-SFHVURJKSA-N 1 2 346.421 3.040 20 30 EGEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)C1(F)CCCC1 ZINC001007714250 1336689885 /nfs/dbraw/zinc/68/98/85/1336689885.db2.gz WYKCDQIYUTVJKO-SFHVURJKSA-N 1 2 346.421 3.040 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)C(C)(C)CO3)C1 ZINC001007908044 1336730796 /nfs/dbraw/zinc/73/07/96/1336730796.db2.gz ONFFXJKYCVOJSS-OAHLLOKOSA-N 1 2 348.874 3.303 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)C(C)(C)CO3)C1 ZINC001007908044 1336730799 /nfs/dbraw/zinc/73/07/99/1336730799.db2.gz ONFFXJKYCVOJSS-OAHLLOKOSA-N 1 2 348.874 3.303 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C)c3cccnc23)C1 ZINC001007969085 1336740081 /nfs/dbraw/zinc/74/00/81/1336740081.db2.gz AJLRMHOQXZRMKI-HNNXBMFYSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)c3cccnc23)C1 ZINC001007969085 1336740083 /nfs/dbraw/zinc/74/00/83/1336740083.db2.gz AJLRMHOQXZRMKI-HNNXBMFYSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001007997122 1336745473 /nfs/dbraw/zinc/74/54/73/1336745473.db2.gz MKJGBWNFUMLMEP-JENIJYKNSA-N 1 2 332.875 3.297 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001007997122 1336745474 /nfs/dbraw/zinc/74/54/74/1336745474.db2.gz MKJGBWNFUMLMEP-JENIJYKNSA-N 1 2 332.875 3.297 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001008263137 1336808951 /nfs/dbraw/zinc/80/89/51/1336808951.db2.gz XECFBSXNVNBZKT-IUODEOHRSA-N 1 2 334.847 3.129 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001008263137 1336808952 /nfs/dbraw/zinc/80/89/52/1336808952.db2.gz XECFBSXNVNBZKT-IUODEOHRSA-N 1 2 334.847 3.129 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2c(C)cc(C)cc2C)C1 ZINC001008395051 1336842002 /nfs/dbraw/zinc/84/20/02/1336842002.db2.gz QVRQWDNLXDVDJX-KRWDZBQOSA-N 1 2 334.891 3.487 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2c(C)cc(C)cc2C)C1 ZINC001008395051 1336842005 /nfs/dbraw/zinc/84/20/05/1336842005.db2.gz QVRQWDNLXDVDJX-KRWDZBQOSA-N 1 2 334.891 3.487 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](Cc3cncc(F)c3)C2)CC1 ZINC001008408680 1336844218 /nfs/dbraw/zinc/84/42/18/1336844218.db2.gz CKWOLRWDWTUZGZ-SFHVURJKSA-N 1 2 331.435 3.048 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](Cc3cncc(F)c3)C2)CC1 ZINC001008408680 1336844220 /nfs/dbraw/zinc/84/42/20/1336844220.db2.gz CKWOLRWDWTUZGZ-SFHVURJKSA-N 1 2 331.435 3.048 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)C1 ZINC001008436686 1336852625 /nfs/dbraw/zinc/85/26/25/1336852625.db2.gz HAEDRACYTHXFCI-LJQANCHMSA-N 1 2 340.442 3.114 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)C1 ZINC001008436686 1336852627 /nfs/dbraw/zinc/85/26/27/1336852627.db2.gz HAEDRACYTHXFCI-LJQANCHMSA-N 1 2 340.442 3.114 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3F)C2)C1 ZINC001008437455 1336853506 /nfs/dbraw/zinc/85/35/06/1336853506.db2.gz MKHKEEJWKBUNTJ-MRXNPFEDSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3F)C2)C1 ZINC001008437455 1336853510 /nfs/dbraw/zinc/85/35/10/1336853510.db2.gz MKHKEEJWKBUNTJ-MRXNPFEDSA-N 1 2 334.410 3.402 20 30 EGEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@H]1CC12CC2 ZINC001008678009 1336908900 /nfs/dbraw/zinc/90/89/00/1336908900.db2.gz RJBFLJUSZCMSQJ-QZTJIDSGSA-N 1 2 342.870 3.072 20 30 EGEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@H]1CC12CC2 ZINC001008678009 1336908901 /nfs/dbraw/zinc/90/89/01/1336908901.db2.gz RJBFLJUSZCMSQJ-QZTJIDSGSA-N 1 2 342.870 3.072 20 30 EGEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3c(cccc3F)s2)C1 ZINC001009456815 1337027087 /nfs/dbraw/zinc/02/70/87/1337027087.db2.gz HGXSAWLPENGIKZ-ZDUSSCGKSA-N 1 2 330.428 3.258 20 30 EGEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cc3c(cccc3F)s2)C1 ZINC001009456815 1337027090 /nfs/dbraw/zinc/02/70/90/1337027090.db2.gz HGXSAWLPENGIKZ-ZDUSSCGKSA-N 1 2 330.428 3.258 20 30 EGEDLO C[C@@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CC=CCC1 ZINC001014550951 1337820950 /nfs/dbraw/zinc/82/09/50/1337820950.db2.gz PIQIEGSPVGNVSW-YLJYHZDGSA-N 1 2 341.430 3.134 20 30 EGEDLO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CC=CCC1 ZINC001014550951 1337820952 /nfs/dbraw/zinc/82/09/52/1337820952.db2.gz PIQIEGSPVGNVSW-YLJYHZDGSA-N 1 2 341.430 3.134 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)s1 ZINC001014592176 1337840724 /nfs/dbraw/zinc/84/07/24/1337840724.db2.gz YWRSYISFWARWAQ-SFHVURJKSA-N 1 2 338.476 3.221 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)s1 ZINC001014592176 1337840725 /nfs/dbraw/zinc/84/07/25/1337840725.db2.gz YWRSYISFWARWAQ-SFHVURJKSA-N 1 2 338.476 3.221 20 30 EGEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)C1(C2CC2)CC1 ZINC001014847464 1337923266 /nfs/dbraw/zinc/92/32/66/1337923266.db2.gz KPBKQEAHSAECOL-GOSISDBHSA-N 1 2 342.870 3.072 20 30 EGEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)C1(C2CC2)CC1 ZINC001014847464 1337923267 /nfs/dbraw/zinc/92/32/67/1337923267.db2.gz KPBKQEAHSAECOL-GOSISDBHSA-N 1 2 342.870 3.072 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)C[C@H]3C=CCCC3)C2)c1 ZINC001014910058 1337947814 /nfs/dbraw/zinc/94/78/14/1337947814.db2.gz PBUZTTHWRUNLGD-YJBOKZPZSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)C[C@H]3C=CCCC3)C2)c1 ZINC001014910058 1337947816 /nfs/dbraw/zinc/94/78/16/1337947816.db2.gz PBUZTTHWRUNLGD-YJBOKZPZSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CCc3ccccc3CC2)C1 ZINC001015030824 1337996074 /nfs/dbraw/zinc/99/60/74/1337996074.db2.gz ASQSGTXPPUQYMG-SFHVURJKSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CCc3ccccc3CC2)C1 ZINC001015030824 1337996077 /nfs/dbraw/zinc/99/60/77/1337996077.db2.gz ASQSGTXPPUQYMG-SFHVURJKSA-N 1 2 332.875 3.125 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c(C)s1 ZINC001015153791 1338037072 /nfs/dbraw/zinc/03/70/72/1338037072.db2.gz UVOOXPDVXZOYTD-KRWDZBQOSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c(C)s1 ZINC001015153791 1338037074 /nfs/dbraw/zinc/03/70/74/1338037074.db2.gz UVOOXPDVXZOYTD-KRWDZBQOSA-N 1 2 339.464 3.241 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC001015194186 1338047758 /nfs/dbraw/zinc/04/77/58/1338047758.db2.gz MAFCOANVVKWKOP-MRXNPFEDSA-N 1 2 340.854 3.495 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC001015194186 1338047762 /nfs/dbraw/zinc/04/77/62/1338047762.db2.gz MAFCOANVVKWKOP-MRXNPFEDSA-N 1 2 340.854 3.495 20 30 EGEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001015240352 1338068237 /nfs/dbraw/zinc/06/82/37/1338068237.db2.gz ZBEOFMKEVYVTMF-GVDBMIGSSA-N 1 2 343.446 3.070 20 30 EGEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001015240352 1338068238 /nfs/dbraw/zinc/06/82/38/1338068238.db2.gz ZBEOFMKEVYVTMF-GVDBMIGSSA-N 1 2 343.446 3.070 20 30 EGEDLO CC(C)(C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1)C1CCC1 ZINC001015410478 1338129938 /nfs/dbraw/zinc/12/99/38/1338129938.db2.gz XWUMWHWNXNOSPS-QGZVFWFLSA-N 1 2 343.446 3.214 20 30 EGEDLO CC(C)(C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1)C1CCC1 ZINC001015410478 1338129942 /nfs/dbraw/zinc/12/99/42/1338129942.db2.gz XWUMWHWNXNOSPS-QGZVFWFLSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001015555687 1338178293 /nfs/dbraw/zinc/17/82/93/1338178293.db2.gz DNRDGSSRKLSMHZ-ZWKOTPCHSA-N 1 2 325.456 3.075 20 30 EGEDLO CC1(C)CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001015555687 1338178296 /nfs/dbraw/zinc/17/82/96/1338178296.db2.gz DNRDGSSRKLSMHZ-ZWKOTPCHSA-N 1 2 325.456 3.075 20 30 EGEDLO Cc1coc(C(=O)N[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)c1 ZINC001015583833 1338194168 /nfs/dbraw/zinc/19/41/68/1338194168.db2.gz JUFZBZGBICWVGX-KRWDZBQOSA-N 1 2 342.826 3.097 20 30 EGEDLO Cc1coc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)c1 ZINC001015583833 1338194170 /nfs/dbraw/zinc/19/41/70/1338194170.db2.gz JUFZBZGBICWVGX-KRWDZBQOSA-N 1 2 342.826 3.097 20 30 EGEDLO CC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CCCCC1 ZINC001015650520 1338229661 /nfs/dbraw/zinc/22/96/61/1338229661.db2.gz RNQZJUJLJIORER-QGZVFWFLSA-N 1 2 343.446 3.358 20 30 EGEDLO CC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CCCCC1 ZINC001015650520 1338229664 /nfs/dbraw/zinc/22/96/64/1338229664.db2.gz RNQZJUJLJIORER-QGZVFWFLSA-N 1 2 343.446 3.358 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2-n2cccc2)C1 ZINC001015651482 1338230765 /nfs/dbraw/zinc/23/07/65/1338230765.db2.gz JMINWIWZPFBGFZ-HNNXBMFYSA-N 1 2 329.831 3.034 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccc2-n2cccc2)C1 ZINC001015651482 1338230768 /nfs/dbraw/zinc/23/07/68/1338230768.db2.gz JMINWIWZPFBGFZ-HNNXBMFYSA-N 1 2 329.831 3.034 20 30 EGEDLO C=Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)cc1 ZINC001015738182 1338279238 /nfs/dbraw/zinc/27/92/38/1338279238.db2.gz BFCFFDNIIQXGSJ-IBGZPJMESA-N 1 2 349.409 3.345 20 30 EGEDLO C=Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)cc1 ZINC001015738182 1338279240 /nfs/dbraw/zinc/27/92/40/1338279240.db2.gz BFCFFDNIIQXGSJ-IBGZPJMESA-N 1 2 349.409 3.345 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1)C1CCCC1 ZINC001015972473 1338385236 /nfs/dbraw/zinc/38/52/36/1338385236.db2.gz KCVKZFVXZFPLNP-RDTXWAMCSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1)C1CCCC1 ZINC001015972473 1338385237 /nfs/dbraw/zinc/38/52/37/1338385237.db2.gz KCVKZFVXZFPLNP-RDTXWAMCSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1CCC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC001016371821 1338574639 /nfs/dbraw/zinc/57/46/39/1338574639.db2.gz JZKXSKJJKJZBHT-IPFXWSOASA-N 1 2 339.483 3.465 20 30 EGEDLO CC1CCC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC001016371821 1338574646 /nfs/dbraw/zinc/57/46/46/1338574646.db2.gz JZKXSKJJKJZBHT-IPFXWSOASA-N 1 2 339.483 3.465 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C(F)F)ccc1F ZINC001017559805 1339367963 /nfs/dbraw/zinc/36/79/63/1339367963.db2.gz WDHSJRTYKKWIPQ-OKILXGFUSA-N 1 2 336.357 3.075 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C(F)F)ccc1F ZINC001017559805 1339367964 /nfs/dbraw/zinc/36/79/64/1339367964.db2.gz WDHSJRTYKKWIPQ-OKILXGFUSA-N 1 2 336.357 3.075 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC001017679626 1339389180 /nfs/dbraw/zinc/38/91/80/1339389180.db2.gz BTXAKQKLNLPPND-HGJUEJDCSA-N 1 2 349.478 3.170 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC001017679626 1339389181 /nfs/dbraw/zinc/38/91/81/1339389181.db2.gz BTXAKQKLNLPPND-HGJUEJDCSA-N 1 2 349.478 3.170 20 30 EGEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sc(Cl)nc1Cl ZINC001018280099 1339559793 /nfs/dbraw/zinc/55/97/93/1339559793.db2.gz LEYUUKWEEKHSEQ-AOOOYVTPSA-N 1 2 346.283 3.315 20 30 EGEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sc(Cl)nc1Cl ZINC001018280099 1339559796 /nfs/dbraw/zinc/55/97/96/1339559796.db2.gz LEYUUKWEEKHSEQ-AOOOYVTPSA-N 1 2 346.283 3.315 20 30 EGEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(C2CCCCC2)n1 ZINC001018327943 1339579110 /nfs/dbraw/zinc/57/91/10/1339579110.db2.gz ZZPOGRQRQVMKDP-IYBDPMFKSA-N 1 2 329.444 3.197 20 30 EGEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(C2CCCCC2)n1 ZINC001018327943 1339579116 /nfs/dbraw/zinc/57/91/16/1339579116.db2.gz ZZPOGRQRQVMKDP-IYBDPMFKSA-N 1 2 329.444 3.197 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1oc2ccccc2c1OC ZINC001028071093 1340407878 /nfs/dbraw/zinc/40/78/78/1340407878.db2.gz PSNPISZBIYDTAW-CYBMUJFWSA-N 1 2 348.830 3.388 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1oc2ccccc2c1OC ZINC001028071093 1340407880 /nfs/dbraw/zinc/40/78/80/1340407880.db2.gz PSNPISZBIYDTAW-CYBMUJFWSA-N 1 2 348.830 3.388 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@H+]2[C@H](C)c2nc(CC)no2)CC1 ZINC001028116098 1340437295 /nfs/dbraw/zinc/43/72/95/1340437295.db2.gz CHRWIDVPLOBDTG-GDBMZVCRSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+]2[C@H](C)c2nc(CC)no2)CC1 ZINC001028116098 1340437296 /nfs/dbraw/zinc/43/72/96/1340437296.db2.gz CHRWIDVPLOBDTG-GDBMZVCRSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(F)cc2cccnc21 ZINC001028177551 1340469751 /nfs/dbraw/zinc/46/97/51/1340469751.db2.gz GESCEGBZIUCJCM-HNNXBMFYSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(F)cc2cccnc21 ZINC001028177551 1340469754 /nfs/dbraw/zinc/46/97/54/1340469754.db2.gz GESCEGBZIUCJCM-HNNXBMFYSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2cccc(OC)c21 ZINC001028184120 1340473311 /nfs/dbraw/zinc/47/33/11/1340473311.db2.gz HSTJCQJUKCUCLZ-HOTGVXAUSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2cccc(OC)c21 ZINC001028184120 1340473312 /nfs/dbraw/zinc/47/33/12/1340473312.db2.gz HSTJCQJUKCUCLZ-HOTGVXAUSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC001028189505 1340476107 /nfs/dbraw/zinc/47/61/07/1340476107.db2.gz BOHCEPMTWWGAEY-BPQIPLTHSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC001028189505 1340476108 /nfs/dbraw/zinc/47/61/08/1340476108.db2.gz BOHCEPMTWWGAEY-BPQIPLTHSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ncc(Cl)cc1Cl ZINC001028224492 1340492883 /nfs/dbraw/zinc/49/28/83/1340492883.db2.gz BPXLEVUDVYZVGU-NSHDSACASA-N 1 2 348.661 3.335 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ncc(Cl)cc1Cl ZINC001028224492 1340492884 /nfs/dbraw/zinc/49/28/84/1340492884.db2.gz BPXLEVUDVYZVGU-NSHDSACASA-N 1 2 348.661 3.335 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccncc1C(F)(F)F ZINC001028239632 1340499651 /nfs/dbraw/zinc/49/96/51/1340499651.db2.gz ROKQKHNFZNHEGR-LLVKDONJSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccncc1C(F)(F)F ZINC001028239632 1340499652 /nfs/dbraw/zinc/49/96/52/1340499652.db2.gz ROKQKHNFZNHEGR-LLVKDONJSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C)cc1 ZINC001028280136 1340534079 /nfs/dbraw/zinc/53/40/79/1340534079.db2.gz GTNFBQMMHAHXDU-HNNXBMFYSA-N 1 2 337.261 3.098 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C)cc1 ZINC001028280136 1340534081 /nfs/dbraw/zinc/53/40/81/1340534081.db2.gz GTNFBQMMHAHXDU-HNNXBMFYSA-N 1 2 337.261 3.098 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(N(CC)CC)cc1 ZINC001028283901 1340538584 /nfs/dbraw/zinc/53/85/84/1340538584.db2.gz RXFCNYPBLVNBJR-GOSISDBHSA-N 1 2 349.906 3.480 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N(CC)CC)cc1 ZINC001028283901 1340538587 /nfs/dbraw/zinc/53/85/87/1340538587.db2.gz RXFCNYPBLVNBJR-GOSISDBHSA-N 1 2 349.906 3.480 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C2CCCC2)no1 ZINC001028326676 1340566358 /nfs/dbraw/zinc/56/63/58/1340566358.db2.gz XBJHAAFWYQFWFS-CQSZACIVSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C2CCCC2)no1 ZINC001028326676 1340566361 /nfs/dbraw/zinc/56/63/61/1340566361.db2.gz XBJHAAFWYQFWFS-CQSZACIVSA-N 1 2 337.851 3.279 20 30 EGEDLO C/C=C(/C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001029262425 1340963523 /nfs/dbraw/zinc/96/35/23/1340963523.db2.gz QEKORXQPQVDVJD-WYOFYKISSA-N 1 2 342.870 3.333 20 30 EGEDLO C/C=C(/C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001029262425 1340963524 /nfs/dbraw/zinc/96/35/24/1340963524.db2.gz QEKORXQPQVDVJD-WYOFYKISSA-N 1 2 342.870 3.333 20 30 EGEDLO O=C(N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1)C1(C2CC2)CCC1 ZINC001029411685 1340984776 /nfs/dbraw/zinc/98/47/76/1340984776.db2.gz XZTUQOLMLQHQQG-OYRHEFFESA-N 1 2 348.490 3.294 20 30 EGEDLO O=C(N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1)C1(C2CC2)CCC1 ZINC001029411685 1340984778 /nfs/dbraw/zinc/98/47/78/1340984778.db2.gz XZTUQOLMLQHQQG-OYRHEFFESA-N 1 2 348.490 3.294 20 30 EGEDLO C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)C=CCC1 ZINC001029428896 1340988250 /nfs/dbraw/zinc/98/82/50/1340988250.db2.gz MVYJDGBWQULKHN-VWPQPMDRSA-N 1 2 334.463 3.070 20 30 EGEDLO C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)C=CCC1 ZINC001029428896 1340988251 /nfs/dbraw/zinc/98/82/51/1340988251.db2.gz MVYJDGBWQULKHN-VWPQPMDRSA-N 1 2 334.463 3.070 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029432791 1340989325 /nfs/dbraw/zinc/98/93/25/1340989325.db2.gz MCLZKHSGDXCHDX-ZCNNSNEGSA-N 1 2 336.479 3.150 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029432791 1340989326 /nfs/dbraw/zinc/98/93/26/1340989326.db2.gz MCLZKHSGDXCHDX-ZCNNSNEGSA-N 1 2 336.479 3.150 20 30 EGEDLO CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N)C(F)F ZINC001029466267 1340996935 /nfs/dbraw/zinc/99/69/35/1340996935.db2.gz JTBDXJVSZGTCHL-IYBDPMFKSA-N 1 2 347.409 3.025 20 30 EGEDLO CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N)C(F)F ZINC001029466267 1340996936 /nfs/dbraw/zinc/99/69/36/1340996936.db2.gz JTBDXJVSZGTCHL-IYBDPMFKSA-N 1 2 347.409 3.025 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001029499215 1341001137 /nfs/dbraw/zinc/00/11/37/1341001137.db2.gz DDUMFOLSYKGQPT-OLMNPRSZSA-N 1 2 343.446 3.165 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001029499215 1341001140 /nfs/dbraw/zinc/00/11/40/1341001140.db2.gz DDUMFOLSYKGQPT-OLMNPRSZSA-N 1 2 343.446 3.165 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)C1 ZINC001029501245 1341001767 /nfs/dbraw/zinc/00/17/67/1341001767.db2.gz KGPWHDSSCQHDJP-ZIBCJSCZSA-N 1 2 336.479 3.150 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)C1 ZINC001029501245 1341001769 /nfs/dbraw/zinc/00/17/69/1341001769.db2.gz KGPWHDSSCQHDJP-ZIBCJSCZSA-N 1 2 336.479 3.150 20 30 EGEDLO CC[C@]1(C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029537796 1341008142 /nfs/dbraw/zinc/00/81/42/1341008142.db2.gz PCBOCCGZCAYANS-QOIYZWAUSA-N 1 2 343.496 3.231 20 30 EGEDLO CC[C@]1(C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029537796 1341008143 /nfs/dbraw/zinc/00/81/43/1341008143.db2.gz PCBOCCGZCAYANS-QOIYZWAUSA-N 1 2 343.496 3.231 20 30 EGEDLO Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)cc1 ZINC001029563168 1341013246 /nfs/dbraw/zinc/01/32/46/1341013246.db2.gz UMQYWXMVMKYTDS-SZPZYZBQSA-N 1 2 344.458 3.336 20 30 EGEDLO Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)cc1 ZINC001029563168 1341013247 /nfs/dbraw/zinc/01/32/47/1341013247.db2.gz UMQYWXMVMKYTDS-SZPZYZBQSA-N 1 2 344.458 3.336 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC(C[N@@H+](C)[C@H](C)c2noc(C)n2)CC1 ZINC001029983054 1341143891 /nfs/dbraw/zinc/14/38/91/1341143891.db2.gz UHGFUSIRJAKLPS-CQSZACIVSA-N 1 2 348.491 3.212 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC(C[N@H+](C)[C@H](C)c2noc(C)n2)CC1 ZINC001029983054 1341143892 /nfs/dbraw/zinc/14/38/92/1341143892.db2.gz UHGFUSIRJAKLPS-CQSZACIVSA-N 1 2 348.491 3.212 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001031762145 1341397796 /nfs/dbraw/zinc/39/77/96/1341397796.db2.gz SDPYCGYWEIQCMH-QZTJIDSGSA-N 1 2 332.875 3.371 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc3c(ccc(C)c3C)[nH]2)C1 ZINC001031901109 1341418380 /nfs/dbraw/zinc/41/83/80/1341418380.db2.gz CVKCMVPZXIGVSD-UHFFFAOYSA-N 1 2 331.847 3.199 20 30 EGEDLO CC1(C)CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031906130 1341419019 /nfs/dbraw/zinc/41/90/19/1341419019.db2.gz FUHJJYBYYUMBFL-KRWDZBQOSA-N 1 2 343.446 3.072 20 30 EGEDLO CC[C@H]1CCC[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031953376 1341430977 /nfs/dbraw/zinc/43/09/77/1341430977.db2.gz JHOZCKMYOABWKA-ICSRJNTNSA-N 1 2 342.458 3.052 20 30 EGEDLO C[C@@H]1CC[C@@H](C(=O)NCC2C[NH+](CC#Cc3cccc(Cl)c3)C2)C1 ZINC001032027236 1341441800 /nfs/dbraw/zinc/44/18/00/1341441800.db2.gz NZDSOSUPFFCEMK-CRAIPNDOSA-N 1 2 344.886 3.176 20 30 EGEDLO CC[C@@]1(C)C[C@H]1C(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001032092734 1341453772 /nfs/dbraw/zinc/45/37/72/1341453772.db2.gz ZLEKRBATHYKTNY-ICSRJNTNSA-N 1 2 344.886 3.176 20 30 EGEDLO Cc1cccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)c1F ZINC001032418462 1341507643 /nfs/dbraw/zinc/50/76/43/1341507643.db2.gz TUHGEXXTDGCUJT-ROUUACIJSA-N 1 2 349.409 3.105 20 30 EGEDLO Cc1cccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)c1F ZINC001032418462 1341507644 /nfs/dbraw/zinc/50/76/44/1341507644.db2.gz TUHGEXXTDGCUJT-ROUUACIJSA-N 1 2 349.409 3.105 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1c(F)cccc1F ZINC001032557577 1341539470 /nfs/dbraw/zinc/53/94/70/1341539470.db2.gz NNOFMUSAZLOUTA-GJZGRUSLSA-N 1 2 348.437 3.395 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1c(F)cccc1F ZINC001032557577 1341539472 /nfs/dbraw/zinc/53/94/72/1341539472.db2.gz NNOFMUSAZLOUTA-GJZGRUSLSA-N 1 2 348.437 3.395 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1OC(C)C ZINC001032563532 1341541401 /nfs/dbraw/zinc/54/14/01/1341541401.db2.gz ZQUIEFCRCFGIPA-ROUUACIJSA-N 1 2 342.483 3.471 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1OC(C)C ZINC001032563532 1341541403 /nfs/dbraw/zinc/54/14/03/1341541403.db2.gz ZQUIEFCRCFGIPA-ROUUACIJSA-N 1 2 342.483 3.471 20 30 EGEDLO CN(C(=O)c1cccs1)[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032875590 1341645819 /nfs/dbraw/zinc/64/58/19/1341645819.db2.gz GSASRCDYYRPSHR-HNNXBMFYSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C(=O)c1cccs1)[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032875590 1341645820 /nfs/dbraw/zinc/64/58/20/1341645820.db2.gz GSASRCDYYRPSHR-HNNXBMFYSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C(=O)C[C@H]1C=CCC1)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032897996 1341656005 /nfs/dbraw/zinc/65/60/05/1341656005.db2.gz BMRRWSZKURXHET-KXBFYZLASA-N 1 2 341.430 3.086 20 30 EGEDLO CN(C(=O)C[C@H]1C=CCC1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032897996 1341656007 /nfs/dbraw/zinc/65/60/07/1341656007.db2.gz BMRRWSZKURXHET-KXBFYZLASA-N 1 2 341.430 3.086 20 30 EGEDLO CN(C(=O)c1ccc(Cl)o1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001032912829 1341664037 /nfs/dbraw/zinc/66/40/37/1341664037.db2.gz IUVRHDQDEOGSSW-HNNXBMFYSA-N 1 2 343.814 3.151 20 30 EGEDLO CN(C(=O)c1ccc(Cl)o1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001032912829 1341664038 /nfs/dbraw/zinc/66/40/38/1341664038.db2.gz IUVRHDQDEOGSSW-HNNXBMFYSA-N 1 2 343.814 3.151 20 30 EGEDLO C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1)C1CC1 ZINC001032981297 1341683510 /nfs/dbraw/zinc/68/35/10/1341683510.db2.gz DYQHUJXCFDCESE-CRAIPNDOSA-N 1 2 344.886 3.270 20 30 EGEDLO C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1)C1CC1 ZINC001032981297 1341683513 /nfs/dbraw/zinc/68/35/13/1341683513.db2.gz DYQHUJXCFDCESE-CRAIPNDOSA-N 1 2 344.886 3.270 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2sccc2C)C1 ZINC001033072118 1341716147 /nfs/dbraw/zinc/71/61/47/1341716147.db2.gz KDEAQGXRGVLWLI-RBSFLKMASA-N 1 2 338.904 3.445 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2sccc2C)C1 ZINC001033072118 1341716148 /nfs/dbraw/zinc/71/61/48/1341716148.db2.gz KDEAQGXRGVLWLI-RBSFLKMASA-N 1 2 338.904 3.445 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2nsc3ccccc32)C1 ZINC001033105955 1341725824 /nfs/dbraw/zinc/72/58/24/1341725824.db2.gz KAXXNWUMPIJGMF-GFCCVEGCSA-N 1 2 335.860 3.195 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2nsc3ccccc32)C1 ZINC001033105955 1341725829 /nfs/dbraw/zinc/72/58/29/1341725829.db2.gz KAXXNWUMPIJGMF-GFCCVEGCSA-N 1 2 335.860 3.195 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccc3cccnc3c2)C1 ZINC001033190453 1341748382 /nfs/dbraw/zinc/74/83/82/1341748382.db2.gz HXEJIIVVLKSGOG-QGZVFWFLSA-N 1 2 343.858 3.063 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc3cccnc3c2)C1 ZINC001033190453 1341748383 /nfs/dbraw/zinc/74/83/83/1341748383.db2.gz HXEJIIVVLKSGOG-QGZVFWFLSA-N 1 2 343.858 3.063 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnc3c(F)cccc3c2)C1 ZINC001033268625 1341764131 /nfs/dbraw/zinc/76/41/31/1341764131.db2.gz CYLJFOBOCZPJJO-OAHLLOKOSA-N 1 2 347.821 3.273 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc3c(F)cccc3c2)C1 ZINC001033268625 1341764132 /nfs/dbraw/zinc/76/41/32/1341764132.db2.gz CYLJFOBOCZPJJO-OAHLLOKOSA-N 1 2 347.821 3.273 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2cc(F)c(C)cc2F)C1 ZINC001033289787 1341768675 /nfs/dbraw/zinc/76/86/75/1341768675.db2.gz LRULWECMRIJIRZ-CQSZACIVSA-N 1 2 342.817 3.101 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cc(F)c(C)cc2F)C1 ZINC001033289787 1341768676 /nfs/dbraw/zinc/76/86/76/1341768676.db2.gz LRULWECMRIJIRZ-CQSZACIVSA-N 1 2 342.817 3.101 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2COc3cc(C)c(C)cc32)C1 ZINC001033299890 1341771284 /nfs/dbraw/zinc/77/12/84/1341771284.db2.gz VWLXXWYQMVKWND-RDJZCZTQSA-N 1 2 348.874 3.065 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2COc3cc(C)c(C)cc32)C1 ZINC001033299890 1341771285 /nfs/dbraw/zinc/77/12/85/1341771285.db2.gz VWLXXWYQMVKWND-RDJZCZTQSA-N 1 2 348.874 3.065 20 30 EGEDLO CN(C(=O)[C@]1(C)C=CCC1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033329563 1341783629 /nfs/dbraw/zinc/78/36/29/1341783629.db2.gz AZAZPZJAGASKHK-UYAOXDASSA-N 1 2 341.430 3.086 20 30 EGEDLO CN(C(=O)[C@]1(C)C=CCC1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033329563 1341783631 /nfs/dbraw/zinc/78/36/31/1341783631.db2.gz AZAZPZJAGASKHK-UYAOXDASSA-N 1 2 341.430 3.086 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033434431 1341823243 /nfs/dbraw/zinc/82/32/43/1341823243.db2.gz CPFDGQUNMLXYAA-KBAYOESNSA-N 1 2 344.886 3.270 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033434431 1341823245 /nfs/dbraw/zinc/82/32/45/1341823245.db2.gz CPFDGQUNMLXYAA-KBAYOESNSA-N 1 2 344.886 3.270 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(F)ccc2Cl)C1 ZINC001033446655 1341827578 /nfs/dbraw/zinc/82/75/78/1341827578.db2.gz MILUIIFNZWOCRT-GFCCVEGCSA-N 1 2 331.218 3.378 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(F)ccc2Cl)C1 ZINC001033446655 1341827579 /nfs/dbraw/zinc/82/75/79/1341827579.db2.gz MILUIIFNZWOCRT-GFCCVEGCSA-N 1 2 331.218 3.378 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2ccccc2F)C1 ZINC001033505473 1341850490 /nfs/dbraw/zinc/85/04/90/1341850490.db2.gz UFDBKVZHLLHAOC-AWEZNQCLSA-N 1 2 338.854 3.389 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2ccccc2F)C1 ZINC001033505473 1341850491 /nfs/dbraw/zinc/85/04/91/1341850491.db2.gz UFDBKVZHLLHAOC-AWEZNQCLSA-N 1 2 338.854 3.389 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnc3ccc(F)cc3c2)C1 ZINC001033556200 1341870324 /nfs/dbraw/zinc/87/03/24/1341870324.db2.gz WXRPWBIQDYPZOK-INIZCTEOSA-N 1 2 347.821 3.273 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnc3ccc(F)cc3c2)C1 ZINC001033556200 1341870326 /nfs/dbraw/zinc/87/03/26/1341870326.db2.gz WXRPWBIQDYPZOK-INIZCTEOSA-N 1 2 347.821 3.273 20 30 EGEDLO CN(C(=O)C1(F)CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033560264 1341872648 /nfs/dbraw/zinc/87/26/48/1341872648.db2.gz YBSPLKMZTKMXAW-SFHVURJKSA-N 1 2 343.446 3.263 20 30 EGEDLO CN(C(=O)C1(F)CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033560264 1341872653 /nfs/dbraw/zinc/87/26/53/1341872653.db2.gz YBSPLKMZTKMXAW-SFHVURJKSA-N 1 2 343.446 3.263 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)C2CCCC2)C1 ZINC001033728988 1341980058 /nfs/dbraw/zinc/98/00/58/1341980058.db2.gz YMJPILXYELEFEN-AWEZNQCLSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)C2CCCC2)C1 ZINC001033728988 1341980055 /nfs/dbraw/zinc/98/00/55/1341980055.db2.gz YMJPILXYELEFEN-AWEZNQCLSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001033907777 1342079384 /nfs/dbraw/zinc/07/93/84/1342079384.db2.gz JOHOGPOWRFHRGC-KGLIPLIRSA-N 1 2 334.838 3.487 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001033907777 1342079385 /nfs/dbraw/zinc/07/93/85/1342079385.db2.gz JOHOGPOWRFHRGC-KGLIPLIRSA-N 1 2 334.838 3.487 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(-c3ccco3)on2)C1 ZINC001033916784 1342086308 /nfs/dbraw/zinc/08/63/08/1342086308.db2.gz UAMMWJMKYHGIRB-CYBMUJFWSA-N 1 2 349.818 3.224 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(-c3ccco3)on2)C1 ZINC001033916784 1342086312 /nfs/dbraw/zinc/08/63/12/1342086312.db2.gz UAMMWJMKYHGIRB-CYBMUJFWSA-N 1 2 349.818 3.224 20 30 EGEDLO CCN(C(=O)c1cc(C)co1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033933630 1342097198 /nfs/dbraw/zinc/09/71/98/1342097198.db2.gz FCXZNDYKWUOTDE-GOSISDBHSA-N 1 2 337.423 3.196 20 30 EGEDLO CCN(C(=O)c1cc(C)co1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033933630 1342097202 /nfs/dbraw/zinc/09/72/02/1342097202.db2.gz FCXZNDYKWUOTDE-GOSISDBHSA-N 1 2 337.423 3.196 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+]([C@H](C)c3nc(C)no3)C2)CC1 ZINC001033950182 1342108698 /nfs/dbraw/zinc/10/86/98/1342108698.db2.gz MMHGXIKMVIZMEL-RHSMWYFYSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@H+]([C@H](C)c3nc(C)no3)C2)CC1 ZINC001033950182 1342108708 /nfs/dbraw/zinc/10/87/08/1342108708.db2.gz MMHGXIKMVIZMEL-RHSMWYFYSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCOc3ccccc32)C1 ZINC001033991065 1342134101 /nfs/dbraw/zinc/13/41/01/1342134101.db2.gz FPUNXJLMGQWBFM-DOTOQJQBSA-N 1 2 348.874 3.228 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCOc3ccccc32)C1 ZINC001033991065 1342134102 /nfs/dbraw/zinc/13/41/02/1342134102.db2.gz FPUNXJLMGQWBFM-DOTOQJQBSA-N 1 2 348.874 3.228 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(Cl)cn2)C1 ZINC001034020134 1342156768 /nfs/dbraw/zinc/15/67/68/1342156768.db2.gz GEHIVUVOHCLZCK-CYBMUJFWSA-N 1 2 328.243 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(Cl)cn2)C1 ZINC001034020134 1342156769 /nfs/dbraw/zinc/15/67/69/1342156769.db2.gz GEHIVUVOHCLZCK-CYBMUJFWSA-N 1 2 328.243 3.024 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2)C1 ZINC001034081904 1342218313 /nfs/dbraw/zinc/21/83/13/1342218313.db2.gz ZHQYZQWADJGARO-HNNXBMFYSA-N 1 2 337.261 3.180 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)c2ccccc2)C1 ZINC001034081904 1342218316 /nfs/dbraw/zinc/21/83/16/1342218316.db2.gz ZHQYZQWADJGARO-HNNXBMFYSA-N 1 2 337.261 3.180 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@H](NC(=O)C=C2CCC2)C1 ZINC001034157990 1342280636 /nfs/dbraw/zinc/28/06/36/1342280636.db2.gz DORLCPVUAHGMRX-IBGZPJMESA-N 1 2 341.430 3.278 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@H](NC(=O)C=C2CCC2)C1 ZINC001034157990 1342280641 /nfs/dbraw/zinc/28/06/41/1342280641.db2.gz DORLCPVUAHGMRX-IBGZPJMESA-N 1 2 341.430 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001034228633 1342333277 /nfs/dbraw/zinc/33/32/77/1342333277.db2.gz GSJHAIVDAGJZJW-LSDHHAIUSA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001034228633 1342333279 /nfs/dbraw/zinc/33/32/79/1342333279.db2.gz GSJHAIVDAGJZJW-LSDHHAIUSA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)CCc1ccsc1)CC2 ZINC001035724309 1343154435 /nfs/dbraw/zinc/15/44/35/1343154435.db2.gz YCEPKUKVHWMJQQ-UHFFFAOYSA-N 1 2 338.904 3.358 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C1(C(F)F)CCCC1)CC2 ZINC001035774653 1343185416 /nfs/dbraw/zinc/18/54/16/1343185416.db2.gz NDBCKSOXCCNTBK-UHFFFAOYSA-N 1 2 346.849 3.489 20 30 EGEDLO C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038169259 1344309542 /nfs/dbraw/zinc/30/95/42/1344309542.db2.gz SLNRBBSZYRRDPD-WFASDCNBSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038169259 1344309546 /nfs/dbraw/zinc/30/95/46/1344309546.db2.gz SLNRBBSZYRRDPD-WFASDCNBSA-N 1 2 342.830 3.105 20 30 EGEDLO C=CCOc1ccc(C(=O)NC[C@H]2CC[N@H+]2CCC(F)(F)F)cc1 ZINC001038426865 1344423657 /nfs/dbraw/zinc/42/36/57/1344423657.db2.gz ABQVQMAOJDURHK-CQSZACIVSA-N 1 2 342.361 3.008 20 30 EGEDLO C=CCOc1ccc(C(=O)NC[C@H]2CC[N@@H+]2CCC(F)(F)F)cc1 ZINC001038426865 1344423658 /nfs/dbraw/zinc/42/36/58/1344423658.db2.gz ABQVQMAOJDURHK-CQSZACIVSA-N 1 2 342.361 3.008 20 30 EGEDLO CC(C)c1cccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)n1 ZINC001038473490 1344439832 /nfs/dbraw/zinc/43/98/32/1344439832.db2.gz NZBSZUWUFHPZOU-GOSISDBHSA-N 1 2 348.450 3.081 20 30 EGEDLO CC(C)c1cccc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)n1 ZINC001038473490 1344439836 /nfs/dbraw/zinc/43/98/36/1344439836.db2.gz NZBSZUWUFHPZOU-GOSISDBHSA-N 1 2 348.450 3.081 20 30 EGEDLO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)cc1F ZINC001038483917 1344445782 /nfs/dbraw/zinc/44/57/82/1344445782.db2.gz HNBKFRZJNXEZEX-GOSISDBHSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)cc1F ZINC001038483917 1344445788 /nfs/dbraw/zinc/44/57/88/1344445788.db2.gz HNBKFRZJNXEZEX-GOSISDBHSA-N 1 2 337.398 3.010 20 30 EGEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001038504573 1344457171 /nfs/dbraw/zinc/45/71/71/1344457171.db2.gz VSHNEWXGJWXQIK-BRWVUGGUSA-N 1 2 343.446 3.070 20 30 EGEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001038504573 1344457175 /nfs/dbraw/zinc/45/71/75/1344457175.db2.gz VSHNEWXGJWXQIK-BRWVUGGUSA-N 1 2 343.446 3.070 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(Cl)c2)cc1 ZINC001038589828 1344496241 /nfs/dbraw/zinc/49/62/41/1344496241.db2.gz STLCFTRETFSSOW-LJQANCHMSA-N 1 2 338.838 3.326 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(Cl)c2)cc1 ZINC001038589828 1344496244 /nfs/dbraw/zinc/49/62/44/1344496244.db2.gz STLCFTRETFSSOW-LJQANCHMSA-N 1 2 338.838 3.326 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001038722265 1344552502 /nfs/dbraw/zinc/55/25/02/1344552502.db2.gz MUHLLJDENYHSLW-KZNAEPCWSA-N 1 2 343.446 3.070 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001038722265 1344552505 /nfs/dbraw/zinc/55/25/05/1344552505.db2.gz MUHLLJDENYHSLW-KZNAEPCWSA-N 1 2 343.446 3.070 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001038809314 1344592116 /nfs/dbraw/zinc/59/21/16/1344592116.db2.gz ZOBDKHASDFKRLJ-BZSNNMDCSA-N 1 2 348.874 3.012 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(Cl)cc1 ZINC001038809314 1344592121 /nfs/dbraw/zinc/59/21/21/1344592121.db2.gz ZOBDKHASDFKRLJ-BZSNNMDCSA-N 1 2 348.874 3.012 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccc(C(F)F)o2)c1 ZINC001038980342 1344694136 /nfs/dbraw/zinc/69/41/36/1344694136.db2.gz YNRNMEDUPLLXEA-AWEZNQCLSA-N 1 2 345.349 3.093 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccc(C(F)F)o2)c1 ZINC001038980342 1344694140 /nfs/dbraw/zinc/69/41/40/1344694140.db2.gz YNRNMEDUPLLXEA-AWEZNQCLSA-N 1 2 345.349 3.093 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccc(Cl)s2)c1 ZINC001038989130 1344699544 /nfs/dbraw/zinc/69/95/44/1344699544.db2.gz NNBGOEKOLUGRLS-AWEZNQCLSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccc(Cl)s2)c1 ZINC001038989130 1344699549 /nfs/dbraw/zinc/69/95/49/1344699549.db2.gz NNBGOEKOLUGRLS-AWEZNQCLSA-N 1 2 345.855 3.277 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Oc1ccccc1 ZINC001039466305 1345084038 /nfs/dbraw/zinc/08/40/38/1345084038.db2.gz CTEKHHIBGKSIDG-ZACQAIPSSA-N 1 2 348.874 3.272 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Oc1ccccc1 ZINC001039466305 1345084042 /nfs/dbraw/zinc/08/40/42/1345084042.db2.gz CTEKHHIBGKSIDG-ZACQAIPSSA-N 1 2 348.874 3.272 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccc(C)o1 ZINC001039473834 1345088550 /nfs/dbraw/zinc/08/85/50/1345088550.db2.gz FCANDHWFFQRRHX-CVEARBPZSA-N 1 2 336.863 3.338 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccc(C)o1 ZINC001039473834 1345088551 /nfs/dbraw/zinc/08/85/51/1345088551.db2.gz FCANDHWFFQRRHX-CVEARBPZSA-N 1 2 336.863 3.338 20 30 EGEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C(F)F)c1 ZINC001039530878 1345131928 /nfs/dbraw/zinc/13/19/28/1345131928.db2.gz DPTDIZCDEBAAFA-XYPHTWIQSA-N 1 2 347.409 3.349 20 30 EGEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C(F)F)c1 ZINC001039530878 1345131931 /nfs/dbraw/zinc/13/19/31/1345131931.db2.gz DPTDIZCDEBAAFA-XYPHTWIQSA-N 1 2 347.409 3.349 20 30 EGEDLO O=C(C#CC1CC1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1Cl ZINC001039579114 1345145135 /nfs/dbraw/zinc/14/51/35/1345145135.db2.gz JBSWJQBUTQYDFF-HDICACEKSA-N 1 2 342.870 3.319 20 30 EGEDLO O=C(C#CC1CC1)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1Cl ZINC001039579114 1345145138 /nfs/dbraw/zinc/14/51/38/1345145138.db2.gz JBSWJQBUTQYDFF-HDICACEKSA-N 1 2 342.870 3.319 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001039826893 1345201120 /nfs/dbraw/zinc/20/11/20/1345201120.db2.gz GBBKEFSGWWTHMT-KDURUIRLSA-N 1 2 337.467 3.336 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001039826893 1345201123 /nfs/dbraw/zinc/20/11/23/1345201123.db2.gz GBBKEFSGWWTHMT-KDURUIRLSA-N 1 2 337.467 3.336 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cccnc2)CC1 ZINC001039892160 1345235701 /nfs/dbraw/zinc/23/57/01/1345235701.db2.gz XALQTBPNCJPOSG-BGYRXZFFSA-N 1 2 339.483 3.393 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cccnc2)CC1 ZINC001039892160 1345235705 /nfs/dbraw/zinc/23/57/05/1345235705.db2.gz XALQTBPNCJPOSG-BGYRXZFFSA-N 1 2 339.483 3.393 20 30 EGEDLO C[C@H]1C[C@H]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001039895403 1345238410 /nfs/dbraw/zinc/23/84/10/1345238410.db2.gz OQIVHJGGCSLJCD-ZIBCJSCZSA-N 1 2 336.479 3.150 20 30 EGEDLO C[C@H]1C[C@H]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001039895403 1345238415 /nfs/dbraw/zinc/23/84/15/1345238415.db2.gz OQIVHJGGCSLJCD-ZIBCJSCZSA-N 1 2 336.479 3.150 20 30 EGEDLO C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)c3c(Cl)[nH]nc3C3CC3)C2)C1 ZINC001040235978 1345389150 /nfs/dbraw/zinc/38/91/50/1345389150.db2.gz IVFCOCITJFULJX-GOSISDBHSA-N 1 2 348.878 3.055 20 30 EGEDLO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3c(Cl)[nH]nc3C3CC3)C2)C1 ZINC001040235978 1345389153 /nfs/dbraw/zinc/38/91/53/1345389153.db2.gz IVFCOCITJFULJX-GOSISDBHSA-N 1 2 348.878 3.055 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3nc(Cl)cs3)C[C@@H]21 ZINC001042196767 1345979009 /nfs/dbraw/zinc/97/90/09/1345979009.db2.gz RDZLOOFIKZCZJL-QWRGUYRKSA-N 1 2 346.283 3.085 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3nc(Cl)cs3)C[C@@H]21 ZINC001042196767 1345979012 /nfs/dbraw/zinc/97/90/12/1345979012.db2.gz RDZLOOFIKZCZJL-QWRGUYRKSA-N 1 2 346.283 3.085 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(C(C)C)no3)C[C@@H]21 ZINC001042257687 1346008554 /nfs/dbraw/zinc/00/85/54/1346008554.db2.gz KXRSNMBJSBASBH-HIFRSBDPSA-N 1 2 337.851 3.087 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C(C)C)no3)C[C@@H]21 ZINC001042257687 1346008556 /nfs/dbraw/zinc/00/85/56/1346008556.db2.gz KXRSNMBJSBASBH-HIFRSBDPSA-N 1 2 337.851 3.087 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nccs1 ZINC001045840037 1346715979 /nfs/dbraw/zinc/71/59/79/1346715979.db2.gz BYTNKSSGHPXPDH-VKJFTORMSA-N 1 2 333.501 3.311 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1nccs1 ZINC001045840037 1346715981 /nfs/dbraw/zinc/71/59/81/1346715981.db2.gz BYTNKSSGHPXPDH-VKJFTORMSA-N 1 2 333.501 3.311 20 30 EGEDLO C[C@]1(NC(=O)c2ccccc2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046112889 1346851386 /nfs/dbraw/zinc/85/13/86/1346851386.db2.gz XRFTXWVWQMXFAW-FQEVSTJZSA-N 1 2 337.398 3.092 20 30 EGEDLO 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C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3cc(F)ccc3o2)C1 ZINC001080532206 1357665663 /nfs/dbraw/zinc/66/56/63/1357665663.db2.gz ZYRQEQSCMBUJMO-QMTHXVAHSA-N 1 2 336.794 3.375 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)c(OC)c2)C1 ZINC001080562415 1357680034 /nfs/dbraw/zinc/68/00/34/1357680034.db2.gz XPKRBYXYHMSYQV-QMTHXVAHSA-N 1 2 343.254 3.151 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)c(OC)c2)C1 ZINC001080562415 1357680035 /nfs/dbraw/zinc/68/00/35/1357680035.db2.gz XPKRBYXYHMSYQV-QMTHXVAHSA-N 1 2 343.254 3.151 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC001080586461 1357686910 /nfs/dbraw/zinc/68/69/10/1357686910.db2.gz KHRKELAYMRCSGQ-JUDXGUMMSA-N 1 2 338.904 3.349 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC001080586461 1357686916 /nfs/dbraw/zinc/68/69/16/1357686916.db2.gz KHRKELAYMRCSGQ-JUDXGUMMSA-N 1 2 338.904 3.349 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(c3nc(C)[nH+]c(C)c3C)C[C@@H]2C)C1 ZINC001067435049 1353396027 /nfs/dbraw/zinc/39/60/27/1353396027.db2.gz HAJRLIUXVQZCFI-SUMWQHHRSA-N 1 2 342.487 3.089 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2coc(C3CCCC3)n2)C1 ZINC001080690303 1357722128 /nfs/dbraw/zinc/72/21/28/1357722128.db2.gz OKHCJBYEWBRKJC-BXUZGUMPSA-N 1 2 337.851 3.135 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2coc(C3CCCC3)n2)C1 ZINC001080690303 1357722131 /nfs/dbraw/zinc/72/21/31/1357722131.db2.gz OKHCJBYEWBRKJC-BXUZGUMPSA-N 1 2 337.851 3.135 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)c2ccco2)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC001071312611 1354572259 /nfs/dbraw/zinc/57/22/59/1354572259.db2.gz MVNSXCGLCVHQIH-BBRMVZONSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)c2ccco2)C[N@H+]1Cc1cc(C#N)ccc1F ZINC001071312611 1354572261 /nfs/dbraw/zinc/57/22/61/1354572261.db2.gz MVNSXCGLCVHQIH-BBRMVZONSA-N 1 2 341.386 3.073 20 30 EGEDLO CC(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001071359342 1354627909 /nfs/dbraw/zinc/62/79/09/1354627909.db2.gz RNLCLZFEPOZJIV-NVXWUHKLSA-N 1 2 332.875 3.317 20 30 EGEDLO CC(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001071359342 1354627912 /nfs/dbraw/zinc/62/79/12/1354627912.db2.gz RNLCLZFEPOZJIV-NVXWUHKLSA-N 1 2 332.875 3.317 20 30 EGEDLO CC(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001071359343 1354628564 /nfs/dbraw/zinc/62/85/64/1354628564.db2.gz RNLCLZFEPOZJIV-RDJZCZTQSA-N 1 2 332.875 3.317 20 30 EGEDLO CC(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001071359343 1354628566 /nfs/dbraw/zinc/62/85/66/1354628566.db2.gz RNLCLZFEPOZJIV-RDJZCZTQSA-N 1 2 332.875 3.317 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2c(F)cccc2OC)CC[C@H]1C ZINC001071528003 1354747657 /nfs/dbraw/zinc/74/76/57/1354747657.db2.gz MRYNHCQAOPVBEM-CHWSQXEVSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2c(F)cccc2OC)CC[C@H]1C ZINC001071528003 1354747661 /nfs/dbraw/zinc/74/76/61/1354747661.db2.gz MRYNHCQAOPVBEM-CHWSQXEVSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccn3c2CCCC3)CC[C@H]1C ZINC001071573021 1354771290 /nfs/dbraw/zinc/77/12/90/1354771290.db2.gz BNBCXVRSORORGK-HUUCEWRRSA-N 1 2 335.879 3.160 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccn3c2CCCC3)CC[C@H]1C ZINC001071573021 1354771292 /nfs/dbraw/zinc/77/12/92/1354771292.db2.gz BNBCXVRSORORGK-HUUCEWRRSA-N 1 2 335.879 3.160 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc(OC)c(F)c2)CC[C@H]1C ZINC001071579778 1354777641 /nfs/dbraw/zinc/77/76/41/1354777641.db2.gz JDSKBGLTSSJBAW-TZMCWYRMSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc(OC)c(F)c2)CC[C@H]1C ZINC001071579778 1354777644 /nfs/dbraw/zinc/77/76/44/1354777644.db2.gz JDSKBGLTSSJBAW-TZMCWYRMSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2c3c[nH]nc3ccc2C)CC[C@@H]1C ZINC001071625563 1354808963 /nfs/dbraw/zinc/80/89/63/1354808963.db2.gz POYKESULTBGSFD-KBPBESRZSA-N 1 2 346.862 3.207 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2c3c[nH]nc3ccc2C)CC[C@@H]1C ZINC001071625563 1354808973 /nfs/dbraw/zinc/80/89/73/1354808973.db2.gz POYKESULTBGSFD-KBPBESRZSA-N 1 2 346.862 3.207 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cccnc2C(F)F)CC[C@@H]1C ZINC001071674125 1354842430 /nfs/dbraw/zinc/84/24/30/1354842430.db2.gz OTTBTXABZXJTIJ-RYUDHWBXSA-N 1 2 343.805 3.354 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cccnc2C(F)F)CC[C@@H]1C ZINC001071674125 1354842434 /nfs/dbraw/zinc/84/24/34/1354842434.db2.gz OTTBTXABZXJTIJ-RYUDHWBXSA-N 1 2 343.805 3.354 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc(C(C)C)on2)CC[C@@H]1C ZINC001071705265 1354863716 /nfs/dbraw/zinc/86/37/16/1354863716.db2.gz MSQVQGPJXXHXRI-QWHCGFSZSA-N 1 2 325.840 3.133 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc(C(C)C)on2)CC[C@@H]1C ZINC001071705265 1354863718 /nfs/dbraw/zinc/86/37/18/1354863718.db2.gz MSQVQGPJXXHXRI-QWHCGFSZSA-N 1 2 325.840 3.133 20 30 EGEDLO C=C1CCC(C(=O)N2CCCC[C@H]2C[N@@H+](C)Cc2ccon2)CC1 ZINC001089220249 1360263935 /nfs/dbraw/zinc/26/39/35/1360263935.db2.gz HNLMMBPINGRSFC-SFHVURJKSA-N 1 2 331.460 3.234 20 30 EGEDLO C=C1CCC(C(=O)N2CCCC[C@H]2C[N@H+](C)Cc2ccon2)CC1 ZINC001089220249 1360263937 /nfs/dbraw/zinc/26/39/37/1360263937.db2.gz HNLMMBPINGRSFC-SFHVURJKSA-N 1 2 331.460 3.234 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2cc(F)ccc2F)CC[C@@H]1C ZINC001071776574 1354924030 /nfs/dbraw/zinc/92/40/30/1354924030.db2.gz VOKCANVCXCVTSG-WFASDCNBSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2cc(F)ccc2F)CC[C@@H]1C ZINC001071776574 1354924034 /nfs/dbraw/zinc/92/40/34/1354924034.db2.gz VOKCANVCXCVTSG-WFASDCNBSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)cc2C)CC[C@@H]1C ZINC001071779580 1354927138 /nfs/dbraw/zinc/92/71/38/1354927138.db2.gz LVHFBXAPNKQZDO-GJZGRUSLSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc(OC)cc2C)CC[C@@H]1C ZINC001071779580 1354927142 /nfs/dbraw/zinc/92/71/42/1354927142.db2.gz LVHFBXAPNKQZDO-GJZGRUSLSA-N 1 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C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccccc2N(C)C)CC[C@H]1C ZINC001072116207 1355140797 /nfs/dbraw/zinc/14/07/97/1355140797.db2.gz JJMFHWCQCYYVGU-CABCVRRESA-N 1 2 335.879 3.088 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC3(C2)CC[N@H+](C/C(Cl)=C/Cl)C3)C1 ZINC001072964444 1355527293 /nfs/dbraw/zinc/52/72/93/1355527293.db2.gz XFOSJNJTGIYTLW-QPEQYQDCSA-N 1 2 329.271 3.196 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC3(C2)CC[N@@H+](C/C(Cl)=C/Cl)C3)C1 ZINC001072964444 1355527296 /nfs/dbraw/zinc/52/72/96/1355527296.db2.gz XFOSJNJTGIYTLW-QPEQYQDCSA-N 1 2 329.271 3.196 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001073608270 1355844397 /nfs/dbraw/zinc/84/43/97/1355844397.db2.gz MEUIYYDEOHNKRQ-ARFHVFGLSA-N 1 2 342.911 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001073608270 1355844403 /nfs/dbraw/zinc/84/44/03/1355844403.db2.gz MEUIYYDEOHNKRQ-ARFHVFGLSA-N 1 2 342.911 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001073904817 1355948054 /nfs/dbraw/zinc/94/80/54/1355948054.db2.gz OCEXYZYPCXJUSM-UYSNPLJNSA-N 1 2 342.911 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001073904817 1355948058 /nfs/dbraw/zinc/94/80/58/1355948058.db2.gz OCEXYZYPCXJUSM-UYSNPLJNSA-N 1 2 342.911 3.018 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccccc3C(C)C)C[C@H]21 ZINC001074255974 1356145457 /nfs/dbraw/zinc/14/54/57/1356145457.db2.gz MCANAQDXOFZYEL-WOJBJXKFSA-N 1 2 342.483 3.301 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccccc3C(C)C)C[C@H]21 ZINC001074255974 1356145458 /nfs/dbraw/zinc/14/54/58/1356145458.db2.gz MCANAQDXOFZYEL-WOJBJXKFSA-N 1 2 342.483 3.301 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)C3CCCCC3)C[C@@H]21 ZINC001074354892 1356180060 /nfs/dbraw/zinc/18/00/60/1356180060.db2.gz XTCYYWYCARMENP-OALUTQOASA-N 1 2 348.531 3.471 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)C3CCCCC3)C[C@@H]21 ZINC001074354892 1356180062 /nfs/dbraw/zinc/18/00/62/1356180062.db2.gz XTCYYWYCARMENP-OALUTQOASA-N 1 2 348.531 3.471 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(OCCC)c3)[C@@H]2C1 ZINC001075853534 1356433943 /nfs/dbraw/zinc/43/39/43/1356433943.db2.gz KDLZQZIBCODKMJ-FUHWJXTLSA-N 1 2 348.874 3.374 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(OCCC)c3)[C@@H]2C1 ZINC001075853534 1356433944 /nfs/dbraw/zinc/43/39/44/1356433944.db2.gz KDLZQZIBCODKMJ-FUHWJXTLSA-N 1 2 348.874 3.374 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(F)c(F)cc3F)[C@@H]2C1 ZINC001076190493 1356515934 /nfs/dbraw/zinc/51/59/34/1356515934.db2.gz HIUBYTCOYLUMCH-ZUZCIYMTSA-N 1 2 344.764 3.003 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(F)c(F)cc3F)[C@@H]2C1 ZINC001076190493 1356515938 /nfs/dbraw/zinc/51/59/38/1356515938.db2.gz HIUBYTCOYLUMCH-ZUZCIYMTSA-N 1 2 344.764 3.003 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001080971094 1357770617 /nfs/dbraw/zinc/77/06/17/1357770617.db2.gz IQUZZCSSVPNVLK-NSODJVPESA-N 1 2 342.817 3.257 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001080971094 1357770621 /nfs/dbraw/zinc/77/06/21/1357770621.db2.gz IQUZZCSSVPNVLK-NSODJVPESA-N 1 2 342.817 3.257 20 30 EGEDLO C=C(C)C[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1c1ccccc1 ZINC001081119801 1357838884 /nfs/dbraw/zinc/83/88/84/1357838884.db2.gz PCVOZGLJVYTXHY-RRFJBIMHSA-N 1 2 344.352 3.047 20 30 EGEDLO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1c1ccccc1 ZINC001081119801 1357838886 /nfs/dbraw/zinc/83/88/86/1357838886.db2.gz PCVOZGLJVYTXHY-RRFJBIMHSA-N 1 2 344.352 3.047 20 30 EGEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)oc1C ZINC001084281532 1358184307 /nfs/dbraw/zinc/18/43/07/1358184307.db2.gz SWHHQXGLHPJPQF-WOJBJXKFSA-N 1 2 348.446 3.094 20 30 EGEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)oc1C ZINC001084281532 1358184308 /nfs/dbraw/zinc/18/43/08/1358184308.db2.gz SWHHQXGLHPJPQF-WOJBJXKFSA-N 1 2 348.446 3.094 20 30 EGEDLO CCc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)o1 ZINC001084458822 1358218525 /nfs/dbraw/zinc/21/85/25/1358218525.db2.gz MSRMZTKCBJZYBR-IEBWSBKVSA-N 1 2 349.434 3.060 20 30 EGEDLO CCc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)o1 ZINC001084458822 1358218529 /nfs/dbraw/zinc/21/85/29/1358218529.db2.gz MSRMZTKCBJZYBR-IEBWSBKVSA-N 1 2 349.434 3.060 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ncoc3C(C)C)C[C@H]21 ZINC001084574162 1358241122 /nfs/dbraw/zinc/24/11/22/1358241122.db2.gz TWCJLQCPDGOJRA-NVXWUHKLSA-N 1 2 345.487 3.433 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3ncoc3C(C)C)C[C@H]21 ZINC001084574162 1358241125 /nfs/dbraw/zinc/24/11/25/1358241125.db2.gz TWCJLQCPDGOJRA-NVXWUHKLSA-N 1 2 345.487 3.433 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3c(F)cccc3F)C[C@H]21 ZINC001084578417 1358242119 /nfs/dbraw/zinc/24/21/19/1358242119.db2.gz XIZUGQDQRBXEOF-CXAGYDPISA-N 1 2 334.410 3.210 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3c(F)cccc3F)C[C@H]21 ZINC001084578417 1358242122 /nfs/dbraw/zinc/24/21/22/1358242122.db2.gz XIZUGQDQRBXEOF-CXAGYDPISA-N 1 2 334.410 3.210 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@H+](Cc4ccncc4Cl)C[C@H]32)C1 ZINC001084645029 1358267497 /nfs/dbraw/zinc/26/74/97/1358267497.db2.gz ALGNBZPNGSBOBJ-NVXWUHKLSA-N 1 2 345.874 3.124 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccncc4Cl)C[C@H]32)C1 ZINC001084645029 1358267500 /nfs/dbraw/zinc/26/75/00/1358267500.db2.gz ALGNBZPNGSBOBJ-NVXWUHKLSA-N 1 2 345.874 3.124 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3[C@@H]4CCCCCC[C@@H]43)[C@@H]2C1 ZINC001084680637 1358277572 /nfs/dbraw/zinc/27/75/72/1358277572.db2.gz WJQGKIMMRAPYDF-SFFUCWETSA-N 1 2 336.907 3.488 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3[C@@H]4CCCCCC[C@@H]43)[C@@H]2C1 ZINC001084680637 1358277573 /nfs/dbraw/zinc/27/75/73/1358277573.db2.gz WJQGKIMMRAPYDF-SFFUCWETSA-N 1 2 336.907 3.488 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4ccccc4C3)[C@@H]2C1 ZINC001084686256 1358280102 /nfs/dbraw/zinc/28/01/02/1358280102.db2.gz UUSAEPPRATZCPB-IPMKNSEASA-N 1 2 344.886 3.077 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4ccccc4C3)[C@@H]2C1 ZINC001084686256 1358280106 /nfs/dbraw/zinc/28/01/06/1358280106.db2.gz UUSAEPPRATZCPB-IPMKNSEASA-N 1 2 344.886 3.077 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)OC3CCCC3)[C@@H]2C1 ZINC001084695566 1358284242 /nfs/dbraw/zinc/28/42/42/1358284242.db2.gz XVHVHIAXITVYKS-DJIMGWMZSA-N 1 2 340.895 3.009 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)OC3CCCC3)[C@@H]2C1 ZINC001084695566 1358284245 /nfs/dbraw/zinc/28/42/45/1358284245.db2.gz XVHVHIAXITVYKS-DJIMGWMZSA-N 1 2 340.895 3.009 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4scnc4c3)[C@@H]2C1 ZINC001084752666 1358300619 /nfs/dbraw/zinc/30/06/19/1358300619.db2.gz XPSHDHILJOZKIZ-UKRRQHHQSA-N 1 2 347.871 3.195 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4scnc4c3)[C@@H]2C1 ZINC001084752666 1358300623 /nfs/dbraw/zinc/30/06/23/1358300623.db2.gz XPSHDHILJOZKIZ-UKRRQHHQSA-N 1 2 347.871 3.195 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Oc3cccc(C)c3)[C@@H]2C1 ZINC001084816849 1358320131 /nfs/dbraw/zinc/32/01/31/1358320131.db2.gz YTQTWVFWSSMULB-LZLYRXPVSA-N 1 2 348.874 3.048 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Oc3cccc(C)c3)[C@@H]2C1 ZINC001084816849 1358320132 /nfs/dbraw/zinc/32/01/32/1358320132.db2.gz YTQTWVFWSSMULB-LZLYRXPVSA-N 1 2 348.874 3.048 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3(c4cccc(C)c4)CC3)[C@@H]2C1 ZINC001084853519 1358328940 /nfs/dbraw/zinc/32/89/40/1358328940.db2.gz WVBKICPVOAXMDC-SJLPKXTDSA-N 1 2 344.886 3.312 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(c4cccc(C)c4)CC3)[C@@H]2C1 ZINC001084853519 1358328942 /nfs/dbraw/zinc/32/89/42/1358328942.db2.gz WVBKICPVOAXMDC-SJLPKXTDSA-N 1 2 344.886 3.312 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1)C(=O)C1CCCCC1 ZINC001085461504 1358515731 /nfs/dbraw/zinc/51/57/31/1358515731.db2.gz ICPAABSBYCEADA-SFHVURJKSA-N 1 2 343.446 3.310 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1)C(=O)C1CCCCC1 ZINC001085461504 1358515735 /nfs/dbraw/zinc/51/57/35/1358515735.db2.gz ICPAABSBYCEADA-SFHVURJKSA-N 1 2 343.446 3.310 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(=O)C1CCCCC1 ZINC001085462061 1358516970 /nfs/dbraw/zinc/51/69/70/1358516970.db2.gz WBHLQHLOZNGFOG-FQEVSTJZSA-N 1 2 342.458 3.290 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(=O)C1CCCCC1 ZINC001085462061 1358516971 /nfs/dbraw/zinc/51/69/71/1358516971.db2.gz WBHLQHLOZNGFOG-FQEVSTJZSA-N 1 2 342.458 3.290 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)C1CC(C)(C)C1 ZINC001085578864 1358610129 /nfs/dbraw/zinc/61/01/29/1358610129.db2.gz ZAIQNMQACIFDSB-GOSISDBHSA-N 1 2 325.456 3.027 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)C1CC(C)(C)C1 ZINC001085578864 1358610133 /nfs/dbraw/zinc/61/01/33/1358610133.db2.gz ZAIQNMQACIFDSB-GOSISDBHSA-N 1 2 325.456 3.027 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1CCC(F)(F)C1 ZINC001085633332 1358650146 /nfs/dbraw/zinc/65/01/46/1358650146.db2.gz PYLHIEQWFFIUFB-QZTJIDSGSA-N 1 2 346.421 3.006 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1CCC(F)(F)C1 ZINC001085633332 1358650148 /nfs/dbraw/zinc/65/01/48/1358650148.db2.gz PYLHIEQWFFIUFB-QZTJIDSGSA-N 1 2 346.421 3.006 20 30 EGEDLO CCc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)o1 ZINC001085673679 1358677455 /nfs/dbraw/zinc/67/74/55/1358677455.db2.gz BVMVHLHRFAGYDW-QGZVFWFLSA-N 1 2 337.423 3.060 20 30 EGEDLO CCc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)o1 ZINC001085673679 1358677460 /nfs/dbraw/zinc/67/74/60/1358677460.db2.gz BVMVHLHRFAGYDW-QGZVFWFLSA-N 1 2 337.423 3.060 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2conc2CC)CC1 ZINC001085798455 1358774427 /nfs/dbraw/zinc/77/44/27/1358774427.db2.gz RXEXKFRFRRQACV-QGZVFWFLSA-N 1 2 331.460 3.016 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2conc2CC)CC1 ZINC001085798455 1358774433 /nfs/dbraw/zinc/77/44/33/1358774433.db2.gz RXEXKFRFRRQACV-QGZVFWFLSA-N 1 2 331.460 3.016 20 30 EGEDLO CCc1ccoc1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001085799880 1358775457 /nfs/dbraw/zinc/77/54/57/1358775457.db2.gz FKUMAIPHMRLXFM-GOSISDBHSA-N 1 2 337.423 3.060 20 30 EGEDLO CCc1ccoc1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001085799880 1358775461 /nfs/dbraw/zinc/77/54/61/1358775461.db2.gz FKUMAIPHMRLXFM-GOSISDBHSA-N 1 2 337.423 3.060 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@H]1CC12CCCC2 ZINC001085909491 1358869513 /nfs/dbraw/zinc/86/95/13/1358869513.db2.gz KSGOWKYSPPJBHF-VQTJNVASSA-N 1 2 336.479 3.151 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@H]1CC12CCCC2 ZINC001085909491 1358869516 /nfs/dbraw/zinc/86/95/16/1358869516.db2.gz KSGOWKYSPPJBHF-VQTJNVASSA-N 1 2 336.479 3.151 20 30 EGEDLO N#Cc1ccc(-c2ccccc2NC(=O)CCc2ccc(N)[nH+]c2)nc1 ZINC001183934995 1387373318 /nfs/dbraw/zinc/37/33/18/1387373318.db2.gz PIUIQSBBNIIEKZ-UHFFFAOYSA-N 1 2 343.390 3.169 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2C=CCC2)[C@H]1CC ZINC001087497124 1359497098 /nfs/dbraw/zinc/49/70/98/1359497098.db2.gz YARRLWNCYFGGDG-QLFBSQMISA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2C=CCC2)[C@H]1CC ZINC001087497124 1359497102 /nfs/dbraw/zinc/49/71/02/1359497102.db2.gz YARRLWNCYFGGDG-QLFBSQMISA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C2CC2)[C@H]1CC ZINC001087694835 1359595400 /nfs/dbraw/zinc/59/54/00/1359595400.db2.gz XOYUVYDXYSERHG-UONOGXRCSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CC2)[C@H]1CC ZINC001087694835 1359595403 /nfs/dbraw/zinc/59/54/03/1359595403.db2.gz XOYUVYDXYSERHG-UONOGXRCSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3coc(C)n3)[C@@H]2CC)CC1 ZINC001087714118 1359606336 /nfs/dbraw/zinc/60/63/36/1359606336.db2.gz PCYQJSOJFWGAKS-ZWKOTPCHSA-N 1 2 331.460 3.199 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3coc(C)n3)[C@@H]2CC)CC1 ZINC001087714118 1359606338 /nfs/dbraw/zinc/60/63/38/1359606338.db2.gz PCYQJSOJFWGAKS-ZWKOTPCHSA-N 1 2 331.460 3.199 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1CC ZINC001087732908 1359615552 /nfs/dbraw/zinc/61/55/52/1359615552.db2.gz WQDGMHXWIJIFEK-CODKJTEISA-N 1 2 343.446 3.213 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1CC ZINC001087732908 1359615554 /nfs/dbraw/zinc/61/55/54/1359615554.db2.gz WQDGMHXWIJIFEK-CODKJTEISA-N 1 2 343.446 3.213 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)CC2CCCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088452643 1359916231 /nfs/dbraw/zinc/91/62/31/1359916231.db2.gz WKFUPEADWFGGCI-KUHUBIRLSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)CC2CCCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001088452643 1359916233 /nfs/dbraw/zinc/91/62/33/1359916233.db2.gz WKFUPEADWFGGCI-KUHUBIRLSA-N 1 2 343.446 3.357 20 30 EGEDLO Cc1coc(C)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088551607 1359968528 /nfs/dbraw/zinc/96/85/28/1359968528.db2.gz MISIHDQTZQIGMO-KDOFPFPSSA-N 1 2 337.423 3.161 20 30 EGEDLO Cc1coc(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088551607 1359968531 /nfs/dbraw/zinc/96/85/31/1359968531.db2.gz MISIHDQTZQIGMO-KDOFPFPSSA-N 1 2 337.423 3.161 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2c(C)cc3ccccc32)[C@H]1C ZINC001088720285 1360020180 /nfs/dbraw/zinc/02/01/80/1360020180.db2.gz GCYRYHLDEYKRCR-WBVHZDCISA-N 1 2 345.874 3.281 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2c(C)cc3ccccc32)[C@H]1C ZINC001088720285 1360020184 /nfs/dbraw/zinc/02/01/84/1360020184.db2.gz GCYRYHLDEYKRCR-WBVHZDCISA-N 1 2 345.874 3.281 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(c3cccc(OC)c3)CC2)[C@H]1C ZINC001088889959 1360093500 /nfs/dbraw/zinc/09/35/00/1360093500.db2.gz USXBOWLBSRVZRE-PBHICJAKSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(c3cccc(OC)c3)CC2)[C@H]1C ZINC001088889959 1360093502 /nfs/dbraw/zinc/09/35/02/1360093502.db2.gz USXBOWLBSRVZRE-PBHICJAKSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc3ccncc32)[C@H]1C ZINC001088951687 1360112086 /nfs/dbraw/zinc/11/20/86/1360112086.db2.gz BFBYMMSETAUBTI-DYVFJYSZSA-N 1 2 329.831 3.180 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc3ccncc32)[C@H]1C ZINC001088951687 1360112087 /nfs/dbraw/zinc/11/20/87/1360112087.db2.gz BFBYMMSETAUBTI-DYVFJYSZSA-N 1 2 329.831 3.180 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@]2(C)CCOc3ccccc32)[C@H]1C ZINC001088983417 1360124579 /nfs/dbraw/zinc/12/45/79/1360124579.db2.gz VYAWOJXMMXAVDE-SIXWZSSISA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCOc3ccccc32)[C@H]1C ZINC001088983417 1360124581 /nfs/dbraw/zinc/12/45/81/1360124581.db2.gz VYAWOJXMMXAVDE-SIXWZSSISA-N 1 2 348.874 3.058 20 30 EGEDLO Cc1cc(NCCCC[C@H](C)NC(=O)[C@@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001090063967 1360808539 /nfs/dbraw/zinc/80/85/39/1360808539.db2.gz GTYQHGPVMBSZEM-KBPBESRZSA-N 1 2 331.464 3.155 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C12CCC2 ZINC001090613602 1360911550 /nfs/dbraw/zinc/91/15/50/1360911550.db2.gz OJASRYWALFNWOJ-CABCVRRESA-N 1 2 328.460 3.227 20 30 EGEDLO C#CCCCC(=O)N1CCC[C@@H](C)[C@H]1CCCNc1cc[nH+]c(C)n1 ZINC001091702959 1361186180 /nfs/dbraw/zinc/18/61/80/1361186180.db2.gz YPDSRRSREGRVSP-SJLPKXTDSA-N 1 2 342.487 3.408 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1CC ZINC001091827043 1361230605 /nfs/dbraw/zinc/23/06/05/1361230605.db2.gz VNYIDPWJCPTUGM-SQGPQFPESA-N 1 2 344.503 3.478 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001092075119 1361290245 /nfs/dbraw/zinc/29/02/45/1361290245.db2.gz BDFPUELDOAVWGI-INIZCTEOSA-N 1 2 330.476 3.205 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)CC(C)(C)C1 ZINC001092087855 1361297663 /nfs/dbraw/zinc/29/76/63/1361297663.db2.gz GZNMIWSSBWICAX-RDJZCZTQSA-N 1 2 344.503 3.499 20 30 EGEDLO C=CCCC(=O)NC[C@@H]1CCC(C)(C)CN1c1cc(C)[nH+]c(CC)n1 ZINC001092113931 1361305293 /nfs/dbraw/zinc/30/52/93/1361305293.db2.gz DFGVTYFIFSDLKV-INIZCTEOSA-N 1 2 344.503 3.425 20 30 EGEDLO C=CCCC(=O)N1C[C@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@@]2(C)C1 ZINC001092280233 1361352757 /nfs/dbraw/zinc/35/27/57/1361352757.db2.gz JRZVCKWCSGRFEO-UZLBHIALSA-N 1 2 342.487 3.159 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H](C)[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001092626433 1361425636 /nfs/dbraw/zinc/42/56/36/1361425636.db2.gz SLODPUNOCFIXBH-HYVNUMGLSA-N 1 2 330.476 3.284 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2C[N@H+]([C@H](C)c3csnn3)C[C@H]2C)CC1 ZINC001092940408 1361491470 /nfs/dbraw/zinc/49/14/70/1361491470.db2.gz MHIDCSMIKXJRAE-IIAWOOMASA-N 1 2 348.516 3.030 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2C[N@@H+]([C@H](C)c3csnn3)C[C@H]2C)CC1 ZINC001092940408 1361491472 /nfs/dbraw/zinc/49/14/72/1361491472.db2.gz MHIDCSMIKXJRAE-IIAWOOMASA-N 1 2 348.516 3.030 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001093034378 1361512647 /nfs/dbraw/zinc/51/26/47/1361512647.db2.gz HYPQWTMBSJTUHK-ZACQAIPSSA-N 1 2 342.487 3.230 20 30 EGEDLO C=CCCC(=O)N[C@]12CCC[C@H]1CN(c1cc(C)[nH+]c(C3CC3)n1)C2 ZINC001093072705 1361520593 /nfs/dbraw/zinc/52/05/93/1361520593.db2.gz ORZVYYRUCLIAGC-JXFKEZNVSA-N 1 2 340.471 3.104 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@@H]2CCC[C@]2(CNc2cc[nH+]c(C)n2)C1 ZINC001093126162 1361534794 /nfs/dbraw/zinc/53/47/94/1361534794.db2.gz IMAZQJQCZKTFOB-JXFKEZNVSA-N 1 2 342.487 3.428 20 30 EGEDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1ccc(C#N)cc1 ZINC001184741837 1387524963 /nfs/dbraw/zinc/52/49/63/1387524963.db2.gz DNLYCGTZFKJJHR-UHFFFAOYSA-N 1 2 331.379 3.408 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCC=CCCC3)CC2)C1 ZINC001093545602 1361638605 /nfs/dbraw/zinc/63/86/05/1361638605.db2.gz MKSPGNYROKYSNE-GOSISDBHSA-N 1 2 346.515 3.391 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCC[C@@H]3CCC)CC2)C1 ZINC001093548369 1361639014 /nfs/dbraw/zinc/63/90/14/1361639014.db2.gz BVDWEUDPSVKBDP-QFBILLFUSA-N 1 2 334.504 3.081 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3c(C)cccc3Cl)CC2)C1 ZINC001093569295 1361645434 /nfs/dbraw/zinc/64/54/34/1361645434.db2.gz AMNBVCVOROPQKW-UHFFFAOYSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H](C)c3ccccc3)CC2)C1 ZINC001093592117 1361650783 /nfs/dbraw/zinc/65/07/83/1361650783.db2.gz FGAFOPJNYSGILM-KRWDZBQOSA-N 1 2 342.483 3.058 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3cc(C)cc(C)c3)CC2)C1 ZINC001093591582 1361651076 /nfs/dbraw/zinc/65/10/76/1361651076.db2.gz HSQQZHIGZKAQHG-UHFFFAOYSA-N 1 2 342.483 3.185 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095138279 1362029196 /nfs/dbraw/zinc/02/91/96/1362029196.db2.gz CCUUCUKWSFFSAW-INIZCTEOSA-N 1 2 342.487 3.302 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H](N(C)c3nc(C)[nH+]c(C)c3C)C2)CCC1 ZINC001095150919 1362033204 /nfs/dbraw/zinc/03/32/04/1362033204.db2.gz CFORAANTIXYJMS-QGZVFWFLSA-N 1 2 342.487 3.185 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001095151575 1362033673 /nfs/dbraw/zinc/03/36/73/1362033673.db2.gz WGRSTTYTFYXZCG-SUMWQHHRSA-N 1 2 330.476 3.041 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095202526 1362051329 /nfs/dbraw/zinc/05/13/29/1362051329.db2.gz OVAURYRTHIDSOM-GOEBONIOSA-N 1 2 342.487 3.159 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095201726 1362051440 /nfs/dbraw/zinc/05/14/40/1362051440.db2.gz UJQLKTAYMBAZKW-AWEZNQCLSA-N 1 2 330.476 3.043 20 30 EGEDLO CC#CCCCC(=O)NC1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001095444157 1362143014 /nfs/dbraw/zinc/14/30/14/1362143014.db2.gz XOSHTAZONMGUIK-UHFFFAOYSA-N 1 2 342.487 3.187 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3cc(F)ccc31)C2 ZINC001095770590 1362224346 /nfs/dbraw/zinc/22/43/46/1362224346.db2.gz XHFQANKLRQRBGQ-BGTYHANMSA-N 1 2 348.849 3.330 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3cc(F)ccc31)C2 ZINC001095770590 1362224350 /nfs/dbraw/zinc/22/43/50/1362224350.db2.gz XHFQANKLRQRBGQ-BGTYHANMSA-N 1 2 348.849 3.330 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC(C)(C)CO1)C2 ZINC001095781185 1362226728 /nfs/dbraw/zinc/22/67/28/1362226728.db2.gz OXTSQPJRZLTZPF-UGUYLWEFSA-N 1 2 340.895 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC(C)(C)CO1)C2 ZINC001095781185 1362226730 /nfs/dbraw/zinc/22/67/30/1362226730.db2.gz OXTSQPJRZLTZPF-UGUYLWEFSA-N 1 2 340.895 3.056 20 30 EGEDLO CCN(CCCNC(=O)C#CC(C)(C)C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001095874900 1362263817 /nfs/dbraw/zinc/26/38/17/1362263817.db2.gz KPSVEAPUSIBXCI-UHFFFAOYSA-N 1 2 342.487 3.045 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCCN(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001095947387 1362300284 /nfs/dbraw/zinc/30/02/84/1362300284.db2.gz LDZRCBFOATXFIB-GDBMZVCRSA-N 1 2 344.503 3.453 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)cn2)CC1 ZINC001095970434 1362315373 /nfs/dbraw/zinc/31/53/73/1362315373.db2.gz OPVMPXKSAIRVNN-QYZOEREBSA-N 1 2 343.446 3.189 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)cn2)CC1 ZINC001095970434 1362315374 /nfs/dbraw/zinc/31/53/74/1362315374.db2.gz OPVMPXKSAIRVNN-QYZOEREBSA-N 1 2 343.446 3.189 20 30 EGEDLO Cc1cc(N[C@@H](CNC(=O)C#CC(C)(C)C)C2CC2)nc(C2CC2)[nH+]1 ZINC001096654413 1362618353 /nfs/dbraw/zinc/61/83/53/1362618353.db2.gz MQHGIIPIOGRSQR-INIZCTEOSA-N 1 2 340.471 3.019 20 30 EGEDLO C=CCCCC(=O)NC[C@H](Nc1nc(C)[nH+]c2c1CCCC2)C1CC1 ZINC001096797277 1362718602 /nfs/dbraw/zinc/71/86/02/1362718602.db2.gz AYAAPVCQUNZBLE-SFHVURJKSA-N 1 2 342.487 3.327 20 30 EGEDLO C=CC[C@@H](C(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001097036893 1362818700 /nfs/dbraw/zinc/81/87/00/1362818700.db2.gz GRPZWXOIRSLIOH-KZNAEPCWSA-N 1 2 336.439 3.204 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097338598 1362940988 /nfs/dbraw/zinc/94/09/88/1362940988.db2.gz CJGQWEVTCNYSBO-XLIONFOSSA-N 1 2 344.503 3.337 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097342201 1362943061 /nfs/dbraw/zinc/94/30/61/1362943061.db2.gz UNTHMSVHDRJONM-ZWKOTPCHSA-N 1 2 344.503 3.337 20 30 EGEDLO C#CCCCC(=O)N1CCCC[C@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001097486131 1363015704 /nfs/dbraw/zinc/01/57/04/1363015704.db2.gz XSMKGSXGIMIHHL-KRWDZBQOSA-N 1 2 340.471 3.259 20 30 EGEDLO C=CCCC(=O)N[C@@H](C)[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097524715 1363038847 /nfs/dbraw/zinc/03/88/47/1363038847.db2.gz KHTQCWHLBWLPIH-RDJZCZTQSA-N 1 2 330.476 3.089 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001097535230 1363044012 /nfs/dbraw/zinc/04/40/12/1363044012.db2.gz PMSIHSADKPYGLC-GOEBONIOSA-N 1 2 330.476 3.108 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3[nH]ccc3c1)C2 ZINC001097752080 1363114580 /nfs/dbraw/zinc/11/45/80/1363114580.db2.gz FQNVUUNOUFCMKF-OIISXLGYSA-N 1 2 329.831 3.256 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3[nH]ccc3c1)C2 ZINC001097752080 1363114582 /nfs/dbraw/zinc/11/45/82/1363114582.db2.gz FQNVUUNOUFCMKF-OIISXLGYSA-N 1 2 329.831 3.256 20 30 EGEDLO C=CCC[C@@H](C(=O)NC[C@@H](C)Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC001097934772 1363171353 /nfs/dbraw/zinc/17/13/53/1363171353.db2.gz HXZPGZDXKVLCQH-CRAIPNDOSA-N 1 2 338.455 3.452 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(OC)c(C)c1)C2 ZINC001098040165 1363204750 /nfs/dbraw/zinc/20/47/50/1363204750.db2.gz IXXZLICIEIAKCN-OAGGEKHMSA-N 1 2 334.847 3.091 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(OC)c(C)c1)C2 ZINC001098040165 1363204752 /nfs/dbraw/zinc/20/47/52/1363204752.db2.gz IXXZLICIEIAKCN-OAGGEKHMSA-N 1 2 334.847 3.091 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001098068914 1363213912 /nfs/dbraw/zinc/21/39/12/1363213912.db2.gz BNPWWANLIOUQQM-AWEZNQCLSA-N 1 2 328.460 3.347 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc3c(c1)CCC3)C2 ZINC001098377940 1363311128 /nfs/dbraw/zinc/31/11/28/1363311128.db2.gz VIGYDNPILNPARA-QRVBRYPASA-N 1 2 344.886 3.192 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc3c(c1)CCC3)C2 ZINC001098377940 1363311132 /nfs/dbraw/zinc/31/11/32/1363311132.db2.gz VIGYDNPILNPARA-QRVBRYPASA-N 1 2 344.886 3.192 20 30 EGEDLO Cc1cc(N[C@H]2CCC[C@H](NC(=O)C#CC(C)C)C2)nc(C2CC2)[nH+]1 ZINC001098620092 1363401736 /nfs/dbraw/zinc/40/17/36/1363401736.db2.gz ALJCCGGWTTZENG-IRXDYDNUSA-N 1 2 340.471 3.161 20 30 EGEDLO Cc1cc(N[C@@H]2CCC[C@@H](NC(=O)C#CC(C)C)C2)nc(C(C)C)[nH+]1 ZINC001098621633 1363403232 /nfs/dbraw/zinc/40/32/32/1363403232.db2.gz UIQCZTGSWLOEGH-IAGOWNOFSA-N 1 2 342.487 3.407 20 30 EGEDLO Cc1nc(N[C@@H]2CCC[C@@H](NC(=O)CC#Cc3ccccc3)C2)cc[nH+]1 ZINC001098625571 1363405084 /nfs/dbraw/zinc/40/50/84/1363405084.db2.gz UHEFMJLIXRXKEG-RTBURBONSA-N 1 2 348.450 3.066 20 30 EGEDLO C=C(Br)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C=C(C)C ZINC001098888578 1363506348 /nfs/dbraw/zinc/50/63/48/1363506348.db2.gz NYAJWCFADACHMB-CQSZACIVSA-N 1 2 343.309 3.468 20 30 EGEDLO C=C(Br)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C=C(C)C ZINC001098888578 1363506351 /nfs/dbraw/zinc/50/63/51/1363506351.db2.gz NYAJWCFADACHMB-CQSZACIVSA-N 1 2 343.309 3.468 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1cccc(Cl)n1 ZINC001098975633 1363550787 /nfs/dbraw/zinc/55/07/87/1363550787.db2.gz KHYOJLQNKJIMTM-ZFWWWQNUSA-N 1 2 348.878 3.001 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1cccc(Cl)n1 ZINC001098975633 1363550788 /nfs/dbraw/zinc/55/07/88/1363550788.db2.gz KHYOJLQNKJIMTM-ZFWWWQNUSA-N 1 2 348.878 3.001 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ccc(Cl)nc1 ZINC001098976050 1363550842 /nfs/dbraw/zinc/55/08/42/1363550842.db2.gz PTJJHXBFSBEGAL-ZFWWWQNUSA-N 1 2 348.878 3.001 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ccc(Cl)nc1 ZINC001098976050 1363550845 /nfs/dbraw/zinc/55/08/45/1363550845.db2.gz PTJJHXBFSBEGAL-ZFWWWQNUSA-N 1 2 348.878 3.001 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1cccc(F)c1F ZINC001098984653 1363556395 /nfs/dbraw/zinc/55/63/95/1363556395.db2.gz YSWPPOHNBQZZPP-ZFWWWQNUSA-N 1 2 349.425 3.231 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1cccc(F)c1F ZINC001098984653 1363556398 /nfs/dbraw/zinc/55/63/98/1363556398.db2.gz YSWPPOHNBQZZPP-ZFWWWQNUSA-N 1 2 349.425 3.231 20 30 EGEDLO Cc1nc(C[N@H+]2CC(C)(C)CC[C@H]2CNC(=O)C#CC(C)C)c(C)o1 ZINC001099064688 1363603645 /nfs/dbraw/zinc/60/36/45/1363603645.db2.gz HIWREBQZROOPHQ-KRWDZBQOSA-N 1 2 345.487 3.058 20 30 EGEDLO Cc1nc(C[N@@H+]2CC(C)(C)CC[C@H]2CNC(=O)C#CC(C)C)c(C)o1 ZINC001099064688 1363603647 /nfs/dbraw/zinc/60/36/47/1363603647.db2.gz HIWREBQZROOPHQ-KRWDZBQOSA-N 1 2 345.487 3.058 20 30 EGEDLO Cc1nc(C[N@H+]2CC(C)(C)CC[C@@H]2CNC(=O)C#CC(C)C)c(C)o1 ZINC001099064689 1363603681 /nfs/dbraw/zinc/60/36/81/1363603681.db2.gz HIWREBQZROOPHQ-QGZVFWFLSA-N 1 2 345.487 3.058 20 30 EGEDLO Cc1nc(C[N@@H+]2CC(C)(C)CC[C@@H]2CNC(=O)C#CC(C)C)c(C)o1 ZINC001099064689 1363603684 /nfs/dbraw/zinc/60/36/84/1363603684.db2.gz HIWREBQZROOPHQ-QGZVFWFLSA-N 1 2 345.487 3.058 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](OC)C1CCC1 ZINC001099159379 1363663413 /nfs/dbraw/zinc/66/34/13/1363663413.db2.gz RIMMBYYUFVSESL-HOTGVXAUSA-N 1 2 342.911 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](OC)C1CCC1 ZINC001099159379 1363663417 /nfs/dbraw/zinc/66/34/17/1363663417.db2.gz RIMMBYYUFVSESL-HOTGVXAUSA-N 1 2 342.911 3.161 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2Cc2coc(C)n2)C1 ZINC001099230214 1363703842 /nfs/dbraw/zinc/70/38/42/1363703842.db2.gz QUJYQKFYJOJOIP-QGZVFWFLSA-N 1 2 345.487 3.446 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2Cc2coc(C)n2)C1 ZINC001099230214 1363703846 /nfs/dbraw/zinc/70/38/46/1363703846.db2.gz QUJYQKFYJOJOIP-QGZVFWFLSA-N 1 2 345.487 3.446 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCCCCCC)[C@@H](O)C1 ZINC001100084870 1364012153 /nfs/dbraw/zinc/01/21/53/1364012153.db2.gz CCRVXUPELMYNQI-HOTGVXAUSA-N 1 2 330.900 3.041 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCCCCCC)[C@@H](O)C1 ZINC001100084870 1364012156 /nfs/dbraw/zinc/01/21/56/1364012156.db2.gz CCRVXUPELMYNQI-HOTGVXAUSA-N 1 2 330.900 3.041 20 30 EGEDLO C#CCCCCCC(=O)NCCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001100255646 1364059522 /nfs/dbraw/zinc/05/95/22/1364059522.db2.gz ZQPLAQNCAOKWQK-UHFFFAOYSA-N 1 2 330.476 3.045 20 30 EGEDLO C=CCC1(C(=O)NCCN(CC)c2cc[nH+]c(C)n2)CCCCC1 ZINC001100541801 1364153059 /nfs/dbraw/zinc/15/30/59/1364153059.db2.gz AHRWVQVUHQOERU-UHFFFAOYSA-N 1 2 330.476 3.254 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001100896509 1364319363 /nfs/dbraw/zinc/31/93/63/1364319363.db2.gz ZDMWAYRGKYCXLY-IAGOWNOFSA-N 1 2 330.476 3.089 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H]2CCN(c3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001100985638 1364358295 /nfs/dbraw/zinc/35/82/95/1364358295.db2.gz XUKVZSQAAGNYSF-KRWDZBQOSA-N 1 2 342.487 3.254 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H]2CCN(c3nc(C)[nH+]c(C)c3C)C2)CCC1 ZINC001101056782 1364395033 /nfs/dbraw/zinc/39/50/33/1364395033.db2.gz ZLUGMZSDQXOHOC-KRWDZBQOSA-N 1 2 342.487 3.091 20 30 EGEDLO C=C[C@@H](C(=O)NCCN(CCC)c1cc[nH+]c(C)n1)c1ccccc1 ZINC001101150048 1364432219 /nfs/dbraw/zinc/43/22/19/1364432219.db2.gz GNXALAVMXYYJEY-GOSISDBHSA-N 1 2 338.455 3.087 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCN(CCC)c1nc(C)[nH+]c(C)c1C ZINC001101222146 1364470752 /nfs/dbraw/zinc/47/07/52/1364470752.db2.gz AAFHFLIAWCMRPF-KRWDZBQOSA-N 1 2 332.492 3.337 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCN(CCC)c1nc(C)[nH+]c(C)c1C ZINC001101238895 1364480855 /nfs/dbraw/zinc/48/08/55/1364480855.db2.gz BBBUQPWHLWRJFT-IBGZPJMESA-N 1 2 332.492 3.337 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCN(CCC)c1nc(C)[nH+]c(C)c1C ZINC001101248029 1364484516 /nfs/dbraw/zinc/48/45/16/1364484516.db2.gz DECKEOLTPLIIJW-UHFFFAOYSA-N 1 2 332.492 3.337 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)CCCC[C@H](C)CC)c1nccn12 ZINC001101630730 1364662165 /nfs/dbraw/zinc/66/21/65/1364662165.db2.gz MALWTKHUCSHPQZ-SJORKVTESA-N 1 2 344.503 3.248 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H](C)CCCCC)c1nccn12 ZINC001101646761 1364669675 /nfs/dbraw/zinc/66/96/75/1364669675.db2.gz WKMZTRMSHBVHHM-SJORKVTESA-N 1 2 344.503 3.248 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCC[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102370597 1365027247 /nfs/dbraw/zinc/02/72/47/1365027247.db2.gz FARKVKFEGIVEKP-KRWDZBQOSA-N 1 2 344.503 3.337 20 30 EGEDLO C=CCCCC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]c(C(C)C)n1 ZINC001102572468 1365121227 /nfs/dbraw/zinc/12/12/27/1365121227.db2.gz UHPPCWDNNSNPDT-HOTGVXAUSA-N 1 2 328.460 3.054 20 30 EGEDLO C=CCC1(C(=O)N(C)[C@@H]2CCN(c3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001102712182 1365180861 /nfs/dbraw/zinc/18/08/61/1365180861.db2.gz AQYNZBNQALICJW-QGZVFWFLSA-N 1 2 342.487 3.349 20 30 EGEDLO C=CCC1(C(=O)NCC[C@H]2CCCN(c3cc[nH+]c(C)n3)C2)CCC1 ZINC001102947873 1365310229 /nfs/dbraw/zinc/31/02/29/1365310229.db2.gz LLYOAUKLUXOAEZ-QGZVFWFLSA-N 1 2 342.487 3.254 20 30 EGEDLO C=C[C@@H](CC(=O)NC[C@@H](CC)Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC001103102688 1365381514 /nfs/dbraw/zinc/38/15/14/1365381514.db2.gz HFQZYHDKKIORRY-FUHWJXTLSA-N 1 2 338.455 3.452 20 30 EGEDLO Cn1c[nH+]c2cc(Nc3ncc(C#N)cc3Br)ccc21 ZINC001185536119 1387742068 /nfs/dbraw/zinc/74/20/68/1387742068.db2.gz XHZNRUFNJDJXJX-UHFFFAOYSA-N 1 2 328.173 3.346 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@H](CC)Nc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC001103256464 1365459764 /nfs/dbraw/zinc/45/97/64/1365459764.db2.gz MCRNUUYGMNOMDT-SFHVURJKSA-N 1 2 348.450 3.264 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H](CC)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001103261505 1365461039 /nfs/dbraw/zinc/46/10/39/1365461039.db2.gz OOPSBNWHOZAKOG-CQSZACIVSA-N 1 2 330.476 3.183 20 30 EGEDLO Cc1nc(NC[C@@]2(NC(=O)C#CC(C)(C)C)CCCC[C@H]2C)cc[nH+]1 ZINC001103602373 1365667981 /nfs/dbraw/zinc/66/79/81/1365667981.db2.gz UIEOAJXJHABTNZ-QRWLVFNGSA-N 1 2 342.487 3.312 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001103700040 1365737937 /nfs/dbraw/zinc/73/79/37/1365737937.db2.gz AXVBJPZPVDKFFL-LJQANCHMSA-N 1 2 330.476 3.110 20 30 EGEDLO C=CC(C)(C)CC(=O)NCC[C@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001103760692 1365769309 /nfs/dbraw/zinc/76/93/09/1365769309.db2.gz CKQMIRVLCXZUCT-QGZVFWFLSA-N 1 2 344.503 3.479 20 30 EGEDLO C#CCC1(C(=O)NC[C@H](C)CNc2cc(C)[nH+]c(C(C)C)n2)CCC1 ZINC001104101194 1365911414 /nfs/dbraw/zinc/91/14/14/1365911414.db2.gz LRIROUVJMKVSFO-OAHLLOKOSA-N 1 2 342.487 3.266 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001104163331 1365932870 /nfs/dbraw/zinc/93/28/70/1365932870.db2.gz HYBOYTBALTYIDM-ZFWWWQNUSA-N 1 2 330.476 3.429 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2noc(C(C)C)n2)C1 ZINC001104245598 1365967129 /nfs/dbraw/zinc/96/71/29/1365967129.db2.gz RISPHSKJJZJYKH-HZPDHXFCSA-N 1 2 348.491 3.124 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NCC1(Nc2cc[nH+]c(C)n2)CCCC1 ZINC001104411478 1366011894 /nfs/dbraw/zinc/01/18/94/1366011894.db2.gz OUFKSPWUJOSCLZ-UHFFFAOYSA-N 1 2 336.867 3.405 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)c2noc(C)n2)C1 ZINC001104485648 1366045080 /nfs/dbraw/zinc/04/50/80/1366045080.db2.gz HCFLOZFGDLBZDS-IIAWOOMASA-N 1 2 348.491 3.116 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@H](CNc1cc[nH+]c(C)n1)CC(C)C ZINC001105001067 1366267522 /nfs/dbraw/zinc/26/75/22/1366267522.db2.gz BVMZRSZBAOFAFP-INIZCTEOSA-N 1 2 341.459 3.029 20 30 EGEDLO CC(C)c1cc(N(C)CCN(C)C(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001105396087 1366444616 /nfs/dbraw/zinc/44/46/16/1366444616.db2.gz NXNMLJHEWBYCJT-UHFFFAOYSA-N 1 2 342.487 3.031 20 30 EGEDLO C#CCCCCCC(=O)N(C)CCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001105535907 1366515723 /nfs/dbraw/zinc/51/57/23/1366515723.db2.gz BWOLVUFETQNDTL-UHFFFAOYSA-N 1 2 342.487 3.141 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CCC[C@H]2CNc2cc[nH+]c(C)n2)CCC1 ZINC001105691527 1366576243 /nfs/dbraw/zinc/57/62/43/1366576243.db2.gz GVARTWPUDNFFTM-JKSUJKDBSA-N 1 2 328.460 3.228 20 30 EGEDLO C=CCCC1(C(=O)N2CCC(OC3C[NH+](CC=C(C)C)C3)CC2)CC1 ZINC001105724367 1366586013 /nfs/dbraw/zinc/58/60/13/1366586013.db2.gz YTOCHRZVOGZMGD-UHFFFAOYSA-N 1 2 346.515 3.391 20 30 EGEDLO C#CCCCCC(=O)N[C@@H](C)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106278247 1366641703 /nfs/dbraw/zinc/64/17/03/1366641703.db2.gz SSJAHZNWORFTOA-AWEZNQCLSA-N 1 2 328.460 3.163 20 30 EGEDLO C#CCCCCC(=O)N(CC)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001106732000 1366783343 /nfs/dbraw/zinc/78/33/43/1366783343.db2.gz QTMLJCGQLJHHHW-UHFFFAOYSA-N 1 2 342.487 3.118 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2nc(C3CCCC3)no2)C1 ZINC001185951844 1387834376 /nfs/dbraw/zinc/83/43/76/1387834376.db2.gz WFBSPLLLSKSUJY-OAHLLOKOSA-N 1 2 346.475 3.020 20 30 EGEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)s1 ZINC001109204828 1367001163 /nfs/dbraw/zinc/00/11/63/1367001163.db2.gz ZQEKRWNTFZQUAD-SNPRPXQTSA-N 1 2 336.888 3.427 20 30 EGEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)s1 ZINC001109204828 1367001168 /nfs/dbraw/zinc/00/11/68/1367001168.db2.gz ZQEKRWNTFZQUAD-SNPRPXQTSA-N 1 2 336.888 3.427 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H](C)CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001109225361 1367013174 /nfs/dbraw/zinc/01/31/74/1367013174.db2.gz LUWZSXCYGILNFK-AUUYWEPGSA-N 1 2 330.476 3.206 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)c1ccncc1)C2 ZINC001109445144 1367125137 /nfs/dbraw/zinc/12/51/37/1367125137.db2.gz PDUFPXYNRNMDOZ-IEAZIUSSSA-N 1 2 333.863 3.049 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)c1ccncc1)C2 ZINC001109445144 1367125146 /nfs/dbraw/zinc/12/51/46/1367125146.db2.gz PDUFPXYNRNMDOZ-IEAZIUSSSA-N 1 2 333.863 3.049 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001109601846 1367224271 /nfs/dbraw/zinc/22/42/71/1367224271.db2.gz RJKMZQDOXUVFRA-QYZOEREBSA-N 1 2 340.442 3.111 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001109601846 1367224282 /nfs/dbraw/zinc/22/42/82/1367224282.db2.gz RJKMZQDOXUVFRA-QYZOEREBSA-N 1 2 340.442 3.111 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109601571 1367224405 /nfs/dbraw/zinc/22/44/05/1367224405.db2.gz FSWXMJAOIKQZBX-NJAFHUGGSA-N 1 2 341.430 3.131 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109601571 1367224412 /nfs/dbraw/zinc/22/44/12/1367224412.db2.gz FSWXMJAOIKQZBX-NJAFHUGGSA-N 1 2 341.430 3.131 20 30 EGEDLO C=C(C)CCC(=O)NC[C@]1(C)C[N@H+](Cc2ccc(F)cc2C)CCO1 ZINC001107976687 1367226539 /nfs/dbraw/zinc/22/65/39/1367226539.db2.gz SQABPXUCCDHFDP-HXUWFJFHSA-N 1 2 348.462 3.198 20 30 EGEDLO C=C(C)CCC(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(F)cc2C)CCO1 ZINC001107976687 1367226544 /nfs/dbraw/zinc/22/65/44/1367226544.db2.gz SQABPXUCCDHFDP-HXUWFJFHSA-N 1 2 348.462 3.198 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1F ZINC001109627342 1367245843 /nfs/dbraw/zinc/24/58/43/1367245843.db2.gz NFHXGMYSEYRMOU-NEWSRXKRSA-N 1 2 346.421 3.380 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1F ZINC001109627342 1367245847 /nfs/dbraw/zinc/24/58/47/1367245847.db2.gz NFHXGMYSEYRMOU-NEWSRXKRSA-N 1 2 346.421 3.380 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(-c3ccco3)on2)C1 ZINC001190429195 1367263323 /nfs/dbraw/zinc/26/33/23/1367263323.db2.gz WTADOCLJVUAMTD-MRXNPFEDSA-N 1 2 343.427 3.324 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccco3)on2)C1 ZINC001190429195 1367263326 /nfs/dbraw/zinc/26/33/26/1367263326.db2.gz WTADOCLJVUAMTD-MRXNPFEDSA-N 1 2 343.427 3.324 20 30 EGEDLO CC(C)c1cc(NC[C@H](NC(=O)[C@@H](C)C#N)C2CC2)nc(C(C)C)[nH+]1 ZINC001109795886 1367328114 /nfs/dbraw/zinc/32/81/14/1367328114.db2.gz LJRDIWNCULFTMN-BBRMVZONSA-N 1 2 343.475 3.190 20 30 EGEDLO CC(C)c1cc(NC[C@H](C)NC(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001108358687 1367409649 /nfs/dbraw/zinc/40/96/49/1367409649.db2.gz QWUZQDAJHIYDOC-AWEZNQCLSA-N 1 2 328.460 3.053 20 30 EGEDLO CCCCCCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001191081957 1367420775 /nfs/dbraw/zinc/42/07/75/1367420775.db2.gz KNCJBEYFBQKARG-LJQANCHMSA-N 1 2 347.503 3.157 20 30 EGEDLO CCCCCCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001191081957 1367420779 /nfs/dbraw/zinc/42/07/79/1367420779.db2.gz KNCJBEYFBQKARG-LJQANCHMSA-N 1 2 347.503 3.157 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C2CCC(CCCC)CC2)C1 ZINC001108383219 1367427573 /nfs/dbraw/zinc/42/75/73/1367427573.db2.gz ZXBJQJYFBRVYHX-GZNCHQMQSA-N 1 2 348.531 3.213 20 30 EGEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C2CCC(CCCC)CC2)C1 ZINC001108383219 1367427575 /nfs/dbraw/zinc/42/75/75/1367427575.db2.gz ZXBJQJYFBRVYHX-GZNCHQMQSA-N 1 2 348.531 3.213 20 30 EGEDLO CCCCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(C)n1 ZINC001110022833 1367462802 /nfs/dbraw/zinc/46/28/02/1367462802.db2.gz AFLMKEQHEWWLEJ-QYZOEREBSA-N 1 2 346.519 3.392 20 30 EGEDLO CCCCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccn(C)n1 ZINC001110022833 1367462806 /nfs/dbraw/zinc/46/28/06/1367462806.db2.gz AFLMKEQHEWWLEJ-QYZOEREBSA-N 1 2 346.519 3.392 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2nc(C)c(C)s2)C1 ZINC001191754332 1367577135 /nfs/dbraw/zinc/57/71/35/1367577135.db2.gz OEDVECCGSZKKSL-QGZVFWFLSA-N 1 2 347.528 3.376 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(C)c(C)s2)C1 ZINC001191754332 1367577152 /nfs/dbraw/zinc/57/71/52/1367577152.db2.gz OEDVECCGSZKKSL-QGZVFWFLSA-N 1 2 347.528 3.376 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2csc(C3CC3)n2)C1 ZINC001191838729 1367608607 /nfs/dbraw/zinc/60/86/07/1367608607.db2.gz LTBUFSWOAKQGOH-QGZVFWFLSA-N 1 2 345.512 3.247 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2csc(C3CC3)n2)C1 ZINC001191838729 1367608609 /nfs/dbraw/zinc/60/86/09/1367608609.db2.gz LTBUFSWOAKQGOH-QGZVFWFLSA-N 1 2 345.512 3.247 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001191868760 1367621727 /nfs/dbraw/zinc/62/17/27/1367621727.db2.gz ZICNMIVNHACRBT-GDBMZVCRSA-N 1 2 331.460 3.187 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001191868760 1367621735 /nfs/dbraw/zinc/62/17/35/1367621735.db2.gz ZICNMIVNHACRBT-GDBMZVCRSA-N 1 2 331.460 3.187 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCC1(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001110305000 1367626882 /nfs/dbraw/zinc/62/68/82/1367626882.db2.gz ZFECZMWJNAWXRF-CQSZACIVSA-N 1 2 342.487 3.327 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC001191912029 1367635016 /nfs/dbraw/zinc/63/50/16/1367635016.db2.gz MDVWQWASZYYARC-SJLPKXTDSA-N 1 2 332.492 3.099 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC001191912029 1367635022 /nfs/dbraw/zinc/63/50/22/1367635022.db2.gz MDVWQWASZYYARC-SJLPKXTDSA-N 1 2 332.492 3.099 20 30 EGEDLO CC(C)c1cc(N(C)C[C@H](C)NC(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001108941718 1367674253 /nfs/dbraw/zinc/67/42/53/1367674253.db2.gz ZXJXEAYQMGNABW-HNNXBMFYSA-N 1 2 342.487 3.078 20 30 EGEDLO CCC[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110405848 1367695119 /nfs/dbraw/zinc/69/51/19/1367695119.db2.gz OYPXBLMSCIKJRX-PIKADFDJSA-N 1 2 325.456 3.216 20 30 EGEDLO CCC[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110405848 1367695132 /nfs/dbraw/zinc/69/51/32/1367695132.db2.gz OYPXBLMSCIKJRX-PIKADFDJSA-N 1 2 325.456 3.216 20 30 EGEDLO CCCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3cc(F)ccc3C#N)C2)CC1 ZINC001192258442 1367732397 /nfs/dbraw/zinc/73/23/97/1367732397.db2.gz WYXFDVPCMCDTCP-GOSISDBHSA-N 1 2 343.446 3.310 20 30 EGEDLO CCCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3cc(F)ccc3C#N)C2)CC1 ZINC001192258442 1367732401 /nfs/dbraw/zinc/73/24/01/1367732401.db2.gz WYXFDVPCMCDTCP-GOSISDBHSA-N 1 2 343.446 3.310 20 30 EGEDLO C#CCCCC(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001110513433 1367796218 /nfs/dbraw/zinc/79/62/18/1367796218.db2.gz WXOMZPZJKBFFIA-WBVHZDCISA-N 1 2 340.471 3.257 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001110538673 1367818609 /nfs/dbraw/zinc/81/86/09/1367818609.db2.gz MEBCHKKUGYSAKR-KRWDZBQOSA-N 1 2 340.471 3.259 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2noc3c2CCCC3)C1 ZINC001192586278 1367826305 /nfs/dbraw/zinc/82/63/05/1367826305.db2.gz LEXCSTPGJFRHKW-HNNXBMFYSA-N 1 2 345.487 3.188 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2noc3c2CCCC3)C1 ZINC001192586278 1367826317 /nfs/dbraw/zinc/82/63/17/1367826317.db2.gz LEXCSTPGJFRHKW-HNNXBMFYSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1(C(F)(F)F)CC1)C2 ZINC001110654397 1367898356 /nfs/dbraw/zinc/89/83/56/1367898356.db2.gz PRTSMHVYGADNST-UTUOFQBUSA-N 1 2 336.785 3.193 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1(C(F)(F)F)CC1)C2 ZINC001110654397 1367898359 /nfs/dbraw/zinc/89/83/59/1367898359.db2.gz PRTSMHVYGADNST-UTUOFQBUSA-N 1 2 336.785 3.193 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@]1(C)CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001110809304 1368003796 /nfs/dbraw/zinc/00/37/96/1368003796.db2.gz KNSSJQBRZWICEO-QFBILLFUSA-N 1 2 330.476 3.089 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@]1(C)CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001110809303 1368003820 /nfs/dbraw/zinc/00/38/20/1368003820.db2.gz KNSSJQBRZWICEO-LPHOPBHVSA-N 1 2 330.476 3.089 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC001110946982 1368114170 /nfs/dbraw/zinc/11/41/70/1368114170.db2.gz VMLHXVGGSNJUSM-IBGZPJMESA-N 1 2 330.476 3.110 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CC(C)(C)CO1)C2 ZINC001111323954 1368267054 /nfs/dbraw/zinc/26/70/54/1368267054.db2.gz GBMAIIHZORIMKM-QXSJWSMHSA-N 1 2 340.895 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CC(C)(C)CO1)C2 ZINC001111323954 1368267057 /nfs/dbraw/zinc/26/70/57/1368267057.db2.gz GBMAIIHZORIMKM-QXSJWSMHSA-N 1 2 340.895 3.056 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)[C@@H](C)c3nnc(C)o3)C2)CCCC1 ZINC001194569406 1368288968 /nfs/dbraw/zinc/28/89/68/1368288968.db2.gz ZJUZIXGQNSLYIK-GOEBONIOSA-N 1 2 346.475 3.108 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)[C@@H](C)c3nnc(C)o3)C2)CCCC1 ZINC001194569406 1368288970 /nfs/dbraw/zinc/28/89/70/1368288970.db2.gz ZJUZIXGQNSLYIK-GOEBONIOSA-N 1 2 346.475 3.108 20 30 EGEDLO C=CCCOc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC001195131906 1368385772 /nfs/dbraw/zinc/38/57/72/1368385772.db2.gz ZBMFIRIELBKFPL-UHFFFAOYSA-N 1 2 325.412 3.315 20 30 EGEDLO CCC[C@@H](C)C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001195384354 1368431028 /nfs/dbraw/zinc/43/10/28/1368431028.db2.gz XCLIZMSNZRLDAM-OAHLLOKOSA-N 1 2 331.435 3.168 20 30 EGEDLO CCC[C@@H](C)C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001195384354 1368431031 /nfs/dbraw/zinc/43/10/31/1368431031.db2.gz XCLIZMSNZRLDAM-OAHLLOKOSA-N 1 2 331.435 3.168 20 30 EGEDLO C#CCCCCC(=O)N1CCC[N@@H+](Cc2cccc(F)c2F)CC1 ZINC001195541451 1368451336 /nfs/dbraw/zinc/45/13/36/1368451336.db2.gz VASSBZOIRMILKS-UHFFFAOYSA-N 1 2 334.410 3.193 20 30 EGEDLO C#CCCCCC(=O)N1CCC[N@H+](Cc2cccc(F)c2F)CC1 ZINC001195541451 1368451349 /nfs/dbraw/zinc/45/13/49/1368451349.db2.gz VASSBZOIRMILKS-UHFFFAOYSA-N 1 2 334.410 3.193 20 30 EGEDLO CC[C@@H](C)CC(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001195667035 1368468678 /nfs/dbraw/zinc/46/86/78/1368468678.db2.gz GXDXERSQAOXLFG-OAHLLOKOSA-N 1 2 331.435 3.168 20 30 EGEDLO CC[C@@H](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001195667035 1368468682 /nfs/dbraw/zinc/46/86/82/1368468682.db2.gz GXDXERSQAOXLFG-OAHLLOKOSA-N 1 2 331.435 3.168 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001112009339 1368613150 /nfs/dbraw/zinc/61/31/50/1368613150.db2.gz YXUMMUJNABCVRB-KDOFPFPSSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+](Cc2cc(F)ccc2OC)CC1 ZINC001196900670 1368709938 /nfs/dbraw/zinc/70/99/38/1368709938.db2.gz GUTHHENUNLFTFK-INIZCTEOSA-N 1 2 348.462 3.471 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+](Cc2cc(F)ccc2OC)CC1 ZINC001196900670 1368709941 /nfs/dbraw/zinc/70/99/41/1368709941.db2.gz GUTHHENUNLFTFK-INIZCTEOSA-N 1 2 348.462 3.471 20 30 EGEDLO Cc1cc(N[C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC001112313279 1368760452 /nfs/dbraw/zinc/76/04/52/1368760452.db2.gz VBHVFUNKHIKVOG-GOEBONIOSA-N 1 2 342.487 3.217 20 30 EGEDLO CC[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001197586431 1368845300 /nfs/dbraw/zinc/84/53/00/1368845300.db2.gz GJGTYEBBUDUXPX-ZWKOTPCHSA-N 1 2 344.474 3.394 20 30 EGEDLO CC[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001197586431 1368845302 /nfs/dbraw/zinc/84/53/02/1368845302.db2.gz GJGTYEBBUDUXPX-ZWKOTPCHSA-N 1 2 344.474 3.394 20 30 EGEDLO CCC(CC)CC(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001197588197 1368846692 /nfs/dbraw/zinc/84/66/92/1368846692.db2.gz XGBWTNHBVNLFGS-UHFFFAOYSA-N 1 2 327.472 3.419 20 30 EGEDLO CCC(CC)CC(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001197588197 1368846699 /nfs/dbraw/zinc/84/66/99/1368846699.db2.gz XGBWTNHBVNLFGS-UHFFFAOYSA-N 1 2 327.472 3.419 20 30 EGEDLO CC(C)C[C@H](C)C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC001197595635 1368848527 /nfs/dbraw/zinc/84/85/27/1368848527.db2.gz BEWQLIXFWWXLCY-IBGZPJMESA-N 1 2 326.484 3.255 20 30 EGEDLO CC(C)C[C@H](C)C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001197595635 1368848535 /nfs/dbraw/zinc/84/85/35/1368848535.db2.gz BEWQLIXFWWXLCY-IBGZPJMESA-N 1 2 326.484 3.255 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)[C@@H](C)C1 ZINC001112472432 1368872292 /nfs/dbraw/zinc/87/22/92/1368872292.db2.gz WXNQWUFMCOHDFQ-DLBZAZTESA-N 1 2 342.487 3.185 20 30 EGEDLO N#Cc1cccc(NC(=S)N2CCC(Oc3cc[nH+]cc3)CC2)c1 ZINC001197687916 1368873602 /nfs/dbraw/zinc/87/36/02/1368873602.db2.gz XMYKCUKAJQHDER-UHFFFAOYSA-N 1 2 338.436 3.193 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H](C)C1 ZINC001112495165 1368890743 /nfs/dbraw/zinc/89/07/43/1368890743.db2.gz OJPJJCMIUSFYAH-RDJZCZTQSA-N 1 2 342.487 3.492 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@H](C)C1 ZINC001112500514 1368899342 /nfs/dbraw/zinc/89/93/42/1368899342.db2.gz XBLDPMQZFIMZBN-DYVFJYSZSA-N 1 2 344.503 3.478 20 30 EGEDLO C=CC(C)(C)CC(=O)N(C)[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001112630787 1368960344 /nfs/dbraw/zinc/96/03/44/1368960344.db2.gz XABSLJVBXQCUDV-MRXNPFEDSA-N 1 2 330.476 3.205 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC001112671436 1368974501 /nfs/dbraw/zinc/97/45/01/1368974501.db2.gz IUDDCMIHURGJDG-JKSUJKDBSA-N 1 2 334.435 3.012 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC(CN(CC)c2cc[nH+]c(C)n2)CC1 ZINC001112686516 1368980212 /nfs/dbraw/zinc/98/02/12/1368980212.db2.gz ACPAADVOISQUIM-INIZCTEOSA-N 1 2 344.503 3.452 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001112799941 1369012747 /nfs/dbraw/zinc/01/27/47/1369012747.db2.gz CKBTUJMNEBFMAW-KRWDZBQOSA-N 1 2 330.476 3.185 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)C1CCCC1)c1ccccc1OC ZINC001198482627 1369042307 /nfs/dbraw/zinc/04/23/07/1369042307.db2.gz RIXNOMVWRDAXKP-INIZCTEOSA-N 1 2 336.863 3.385 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[NH+](CCOc2c(C)cccc2C)CC1 ZINC001112898202 1369078912 /nfs/dbraw/zinc/07/89/12/1369078912.db2.gz JNFGEVOAMZYQPF-UHFFFAOYSA-N 1 2 344.499 3.429 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)CC1CCC1)c1ccccc1OC ZINC001198636808 1369078919 /nfs/dbraw/zinc/07/89/19/1369078919.db2.gz MNMMJJXJOZELMM-MRXNPFEDSA-N 1 2 336.863 3.385 20 30 EGEDLO C=C(C)[C@H](CC(=O)N1CC[NH+](Cc2csc(C)c2)CC1)OCC ZINC001112906717 1369084538 /nfs/dbraw/zinc/08/45/38/1369084538.db2.gz MXDCUSOFMZHBGF-KRWDZBQOSA-N 1 2 336.501 3.072 20 30 EGEDLO C=CCOCC(=O)N[C@H](C)[C@@H](C)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001112922986 1369090757 /nfs/dbraw/zinc/09/07/57/1369090757.db2.gz CGHPEIMONFEEGW-HUUCEWRRSA-N 1 2 348.491 3.231 20 30 EGEDLO C#CCC1(C(=O)N2CC[NH+]([C@H]3CCc4ccc(F)cc43)CC2)CCC1 ZINC001112951333 1369106558 /nfs/dbraw/zinc/10/65/58/1369106558.db2.gz NOJFNDBAYGCWBZ-IBGZPJMESA-N 1 2 340.442 3.151 20 30 EGEDLO Cc1cc(N[C@H](C)[C@H](C)NC(=O)C#CC(C)(C)C)nc(C(C)C)[nH+]1 ZINC001113003672 1369131293 /nfs/dbraw/zinc/13/12/93/1369131293.db2.gz FKZFYUXXEQNAFB-CABCVRRESA-N 1 2 330.476 3.263 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)Cc1ccco1)c1ccccc1OC ZINC001198940129 1369153760 /nfs/dbraw/zinc/15/37/60/1369153760.db2.gz ONSSCUBEDBRUAN-INIZCTEOSA-N 1 2 348.830 3.030 20 30 EGEDLO C#CCCCCCC(=O)N1CC[NH+](CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC001113198086 1369258034 /nfs/dbraw/zinc/25/80/34/1369258034.db2.gz SKMTWBOIGGRLOP-VQTJNVASSA-N 1 2 348.531 3.310 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C)c(OC)c2)CC1 ZINC001113229577 1369277352 /nfs/dbraw/zinc/27/73/52/1369277352.db2.gz MPCNJCGRKIATPB-RDJZCZTQSA-N 1 2 330.472 3.106 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC[NH+](CCOc2c(C)cccc2C)CC1 ZINC001113229315 1369277555 /nfs/dbraw/zinc/27/75/55/1369277555.db2.gz HLDXQFCRBQUJAZ-APWZRJJASA-N 1 2 344.499 3.285 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC[NH+](CCOc2cc(C)cc(C)c2)CC1 ZINC001113229583 1369277617 /nfs/dbraw/zinc/27/76/17/1369277617.db2.gz MQFKJLMCDPJRQM-MOPGFXCFSA-N 1 2 344.499 3.285 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](Cc2ccc(COC)cc2)CC1 ZINC001113244164 1369288408 /nfs/dbraw/zinc/28/84/08/1369288408.db2.gz VRNGKEPTEVVRJM-KRWDZBQOSA-N 1 2 330.472 3.080 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](CCOc2cc(C)ccc2C)CC1 ZINC001113246660 1369289633 /nfs/dbraw/zinc/28/96/33/1369289633.db2.gz QOYJARMDUGNELE-LJQANCHMSA-N 1 2 344.499 3.429 20 30 EGEDLO C=CCCC1(C(=O)N2CC[NH+](CCOc3ccc(C)cc3)CC2)CC1 ZINC001113305285 1369334335 /nfs/dbraw/zinc/33/43/35/1369334335.db2.gz JRKZBEKMGXQPNX-UHFFFAOYSA-N 1 2 342.483 3.264 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](CCO[C@H]3CCCC[C@H]3C)CC2)CCC1 ZINC001113310976 1369337758 /nfs/dbraw/zinc/33/77/58/1369337758.db2.gz WJBSCNGMZRKFBN-MOPGFXCFSA-N 1 2 348.531 3.472 20 30 EGEDLO C=CCCC1(C(=O)N2CC[NH+](Cc3ccc(OC)c(C)c3)CC2)CC1 ZINC001113312771 1369339455 /nfs/dbraw/zinc/33/94/55/1369339455.db2.gz NHFUPFIFPOXJET-UHFFFAOYSA-N 1 2 342.483 3.394 20 30 EGEDLO Cc1cc(NCC(C)(C)CN(C)C(=O)C#CC(C)C)nc(C2CC2)[nH+]1 ZINC001113423470 1369417408 /nfs/dbraw/zinc/41/74/08/1369417408.db2.gz XLYZEOWVALWPMR-UHFFFAOYSA-N 1 2 342.487 3.218 20 30 EGEDLO C[C@@H](CC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1)C(C)(C)C ZINC001113580678 1369501932 /nfs/dbraw/zinc/50/19/32/1369501932.db2.gz WRKFVFBBAIAPRU-INIZCTEOSA-N 1 2 327.472 3.275 20 30 EGEDLO COC(=O)c1cccc(CSCc2cc[nH+]c(N(C)C)c2)c1C#N ZINC001325582747 1388007278 /nfs/dbraw/zinc/00/72/78/1388007278.db2.gz OTHQAXVESVAEKE-UHFFFAOYSA-N 1 2 341.436 3.239 20 30 EGEDLO C=CC[C@H](C(=O)N1CC[NH+](Cc2cccnc2C)CC1)c1ccccc1 ZINC001113663017 1369550915 /nfs/dbraw/zinc/55/09/15/1369550915.db2.gz TWKZRGSITZLIFR-NRFANRHFSA-N 1 2 349.478 3.394 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001113726158 1369587699 /nfs/dbraw/zinc/58/76/99/1369587699.db2.gz AJLCFRIZPIQAIG-HNNXBMFYSA-N 1 2 342.487 3.372 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001113802239 1369613845 /nfs/dbraw/zinc/61/38/45/1369613845.db2.gz KAWVMYYOLVMZSE-MRXNPFEDSA-N 1 2 342.487 3.187 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](C)N(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001113821269 1369622543 /nfs/dbraw/zinc/62/25/43/1369622543.db2.gz AOTLBQDXZDEPFP-ZBFHGGJFSA-N 1 2 344.503 3.207 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@H](C)N(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001113821266 1369622622 /nfs/dbraw/zinc/62/26/22/1369622622.db2.gz AOTLBQDXZDEPFP-GOEBONIOSA-N 1 2 344.503 3.207 20 30 EGEDLO C=CCCC1(C(=O)NC[C@@H](C)N(C)c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001113850917 1369632952 /nfs/dbraw/zinc/63/29/52/1369632952.db2.gz CIPKSUOXAQGUTE-OAHLLOKOSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CN(c3cc[nH+]c(C)n3)CC[C@@H]2C)CCCC1 ZINC001114031131 1369693241 /nfs/dbraw/zinc/69/32/41/1369693241.db2.gz QZYWQYYXFXXDFK-DOTOQJQBSA-N 1 2 342.487 3.253 20 30 EGEDLO C=C(C)[C@H](CC(=O)N[C@H](CCCC)CNc1cc[nH+]c(C)n1)OCC ZINC001114286559 1369851961 /nfs/dbraw/zinc/85/19/61/1369851961.db2.gz PXUMQDPLVOJDKP-SJORKVTESA-N 1 2 348.491 3.243 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)CC1(C)C ZINC001114468203 1369960340 /nfs/dbraw/zinc/96/03/40/1369960340.db2.gz OVMIQEDARJUYJN-MRXNPFEDSA-N 1 2 342.487 3.350 20 30 EGEDLO C#CCCCC(=O)N1C[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001114685028 1370024052 /nfs/dbraw/zinc/02/40/52/1370024052.db2.gz NHGGKIFLWWBPSC-CVEARBPZSA-N 1 2 340.471 3.115 20 30 EGEDLO CCC[C@H](CC)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001115035567 1370230465 /nfs/dbraw/zinc/23/04/65/1370230465.db2.gz FXTOLQPDDNPGSY-NOENWEJRSA-N 1 2 343.446 3.070 20 30 EGEDLO CCC[C@H](CC)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001115035567 1370230469 /nfs/dbraw/zinc/23/04/69/1370230469.db2.gz FXTOLQPDDNPGSY-NOENWEJRSA-N 1 2 343.446 3.070 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2cccc(C#N)c2)CC12CC2 ZINC001203762815 1370254303 /nfs/dbraw/zinc/25/43/03/1370254303.db2.gz UIZGRZBDSVUSLJ-UHFFFAOYSA-N 1 2 327.428 3.144 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2cccc(C#N)c2)CC12CC2 ZINC001203762815 1370254306 /nfs/dbraw/zinc/25/43/06/1370254306.db2.gz UIZGRZBDSVUSLJ-UHFFFAOYSA-N 1 2 327.428 3.144 20 30 EGEDLO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[NH+]1Cc1cccc(C#N)c1 ZINC001203764738 1370256806 /nfs/dbraw/zinc/25/68/06/1370256806.db2.gz WOJIAPQRCSQEFI-HUUCEWRRSA-N 1 2 329.444 3.388 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[N@@H+]2Cc1ccc(C#N)cc1 ZINC001203900259 1370305652 /nfs/dbraw/zinc/30/56/52/1370305652.db2.gz WHUQWOMVZNZDTN-IAGOWNOFSA-N 1 2 327.428 3.142 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[N@H+]2Cc1ccc(C#N)cc1 ZINC001203900259 1370305658 /nfs/dbraw/zinc/30/56/58/1370305658.db2.gz WHUQWOMVZNZDTN-IAGOWNOFSA-N 1 2 327.428 3.142 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC(N(C)c2nc(C)[nH+]c(C)c2C)CC1 ZINC001115152613 1370314581 /nfs/dbraw/zinc/31/45/81/1370314581.db2.gz LMMFRQZMUVNDER-CQSZACIVSA-N 1 2 344.503 3.431 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC(N(C)c2nc(C)[nH+]c(C)c2C)CC1 ZINC001115152578 1370314717 /nfs/dbraw/zinc/31/47/17/1370314717.db2.gz LMMFRQZMUVNDER-AWEZNQCLSA-N 1 2 344.503 3.431 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3ncccn3)C[C@H]21 ZINC001115165704 1370323004 /nfs/dbraw/zinc/32/30/04/1370323004.db2.gz MJTQUDYVFBOCJP-IMBTUZDBSA-N 1 2 344.503 3.335 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3ncccn3)C[C@H]21 ZINC001115165704 1370323008 /nfs/dbraw/zinc/32/30/08/1370323008.db2.gz MJTQUDYVFBOCJP-IMBTUZDBSA-N 1 2 344.503 3.335 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@@H](COCC)C2)cc1 ZINC001204299637 1370436393 /nfs/dbraw/zinc/43/63/93/1370436393.db2.gz DAGYXROFAYHMLT-QGZVFWFLSA-N 1 2 341.455 3.121 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2Cc3ncn(C)c3[C@@H](COCC)C2)cc1 ZINC001204299637 1370436398 /nfs/dbraw/zinc/43/63/98/1370436398.db2.gz DAGYXROFAYHMLT-QGZVFWFLSA-N 1 2 341.455 3.121 20 30 EGEDLO CCCCCCCOc1ccc(C[NH+]2CCN(C(N)=O)CC2)cc1 ZINC001204367983 1370456027 /nfs/dbraw/zinc/45/60/27/1370456027.db2.gz BWRBWKVRKZYLAV-UHFFFAOYSA-N 1 2 333.476 3.232 20 30 EGEDLO C=C[C@@H](CC(=O)N(C)C[C@@H](C)Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC001115744224 1370724905 /nfs/dbraw/zinc/72/49/05/1370724905.db2.gz ANIWCWDWDKTWSZ-WBVHZDCISA-N 1 2 338.455 3.404 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001205459310 1370761674 /nfs/dbraw/zinc/76/16/74/1370761674.db2.gz MGRNHLACSOXMQX-YOEHRIQHSA-N 1 2 345.418 3.139 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001205459310 1370761678 /nfs/dbraw/zinc/76/16/78/1370761678.db2.gz MGRNHLACSOXMQX-YOEHRIQHSA-N 1 2 345.418 3.139 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)/C=C/C(C)(C)C)[C@@H]2C1 ZINC001187358231 1388099186 /nfs/dbraw/zinc/09/91/86/1388099186.db2.gz YGBVLULMHUQLHK-CXSYMGSUSA-N 1 2 341.293 3.030 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)/C=C/C(C)(C)C)[C@@H]2C1 ZINC001187358231 1388099188 /nfs/dbraw/zinc/09/91/88/1388099188.db2.gz YGBVLULMHUQLHK-CXSYMGSUSA-N 1 2 341.293 3.030 20 30 EGEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CCc2ccc(F)cc2F)CC1 ZINC001116530585 1370931226 /nfs/dbraw/zinc/93/12/26/1370931226.db2.gz SBMBHGOORJRELO-HXUWFJFHSA-N 1 2 341.405 3.390 20 30 EGEDLO C/C=C(\C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206841707 1371186378 /nfs/dbraw/zinc/18/63/78/1371186378.db2.gz OJXLLYHYYZQBGD-UPJFGJQXSA-N 1 2 330.859 3.094 20 30 EGEDLO C/C=C(\C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206841707 1371186379 /nfs/dbraw/zinc/18/63/79/1371186379.db2.gz OJXLLYHYYZQBGD-UPJFGJQXSA-N 1 2 330.859 3.094 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2csc(C(C)(C)C)n2)C[C@H]1C ZINC001206911193 1371220960 /nfs/dbraw/zinc/22/09/60/1371220960.db2.gz GGXSIXWNRGLQLM-GDBMZVCRSA-N 1 2 347.528 3.181 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2csc(C(C)(C)C)n2)C[C@H]1C ZINC001206911193 1371220968 /nfs/dbraw/zinc/22/09/68/1371220968.db2.gz GGXSIXWNRGLQLM-GDBMZVCRSA-N 1 2 347.528 3.181 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](Cc2csc(C)n2)C[C@H]1C ZINC001207107110 1371295815 /nfs/dbraw/zinc/29/58/15/1371295815.db2.gz AEQKKJNHORMKGZ-CXAGYDPISA-N 1 2 333.501 3.156 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](Cc2csc(C)n2)C[C@H]1C ZINC001207107110 1371295817 /nfs/dbraw/zinc/29/58/17/1371295817.db2.gz AEQKKJNHORMKGZ-CXAGYDPISA-N 1 2 333.501 3.156 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C(C)C)C1 ZINC001207138726 1371307090 /nfs/dbraw/zinc/30/70/90/1371307090.db2.gz QWNKMGKLWMHLEU-DGCLKSJQSA-N 1 2 331.298 3.014 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C(C)C)C1 ZINC001207138726 1371307091 /nfs/dbraw/zinc/30/70/91/1371307091.db2.gz QWNKMGKLWMHLEU-DGCLKSJQSA-N 1 2 331.298 3.014 20 30 EGEDLO CCOC(=O)c1sc(C2CC[NH+](CC3(C#N)CC3)CC2)nc1C ZINC001119317353 1371307712 /nfs/dbraw/zinc/30/77/12/1371307712.db2.gz KRMRBNYVWXLUKG-UHFFFAOYSA-N 1 2 333.457 3.111 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001207190280 1371325407 /nfs/dbraw/zinc/32/54/07/1371325407.db2.gz KZPYAKHHVLGTSW-DGCLKSJQSA-N 1 2 327.881 3.089 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001207190280 1371325413 /nfs/dbraw/zinc/32/54/13/1371325413.db2.gz KZPYAKHHVLGTSW-DGCLKSJQSA-N 1 2 327.881 3.089 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc(C(C)(C)C)no2)C[C@H]1C ZINC001207200789 1371327527 /nfs/dbraw/zinc/32/75/27/1371327527.db2.gz RYHTVSXIVOZXTE-RBSFLKMASA-N 1 2 348.491 3.221 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc(C(C)(C)C)no2)C[C@H]1C ZINC001207200789 1371327530 /nfs/dbraw/zinc/32/75/30/1371327530.db2.gz RYHTVSXIVOZXTE-RBSFLKMASA-N 1 2 348.491 3.221 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001207215336 1371332072 /nfs/dbraw/zinc/33/20/72/1371332072.db2.gz FOBWOCAYAQUYIA-VQIMIIECSA-N 1 2 344.886 3.484 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001207215336 1371332078 /nfs/dbraw/zinc/33/20/78/1371332078.db2.gz FOBWOCAYAQUYIA-VQIMIIECSA-N 1 2 344.886 3.484 20 30 EGEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](CC=C(Cl)Cl)C[C@H]1C)OCC ZINC001207255795 1371343095 /nfs/dbraw/zinc/34/30/95/1371343095.db2.gz PRKSUDVHSMMQKG-MCIONIFRSA-N 1 2 349.302 3.113 20 30 EGEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[N@@H+](CC=C(Cl)Cl)C[C@H]1C)OCC ZINC001207255795 1371343097 /nfs/dbraw/zinc/34/30/97/1371343097.db2.gz PRKSUDVHSMMQKG-MCIONIFRSA-N 1 2 349.302 3.113 20 30 EGEDLO CCCCCCC[NH2+][C@@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001208083881 1371591494 /nfs/dbraw/zinc/59/14/94/1371591494.db2.gz HQUQSBMDGZHANE-OLZOCXBDSA-N 1 2 326.378 3.438 20 30 EGEDLO CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001208083881 1371591496 /nfs/dbraw/zinc/59/14/96/1371591496.db2.gz HQUQSBMDGZHANE-OLZOCXBDSA-N 1 2 326.378 3.438 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]([NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC001208247151 1371680291 /nfs/dbraw/zinc/68/02/91/1371680291.db2.gz WQKGLPOBJJTWNJ-AWEZNQCLSA-N 1 2 348.491 3.050 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1)OCC ZINC001120679262 1371705813 /nfs/dbraw/zinc/70/58/13/1371705813.db2.gz OWFXJTOJQPLWMN-DLBZAZTESA-N 1 2 336.863 3.184 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](Cc2csc(C3CC3)n2)C[C@H]1C ZINC001208371462 1371740269 /nfs/dbraw/zinc/74/02/69/1371740269.db2.gz WUBLDLXDPBBGOY-RHSMWYFYSA-N 1 2 345.512 3.151 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2csc(C3CC3)n2)C[C@H]1C ZINC001208371462 1371740271 /nfs/dbraw/zinc/74/02/71/1371740271.db2.gz WUBLDLXDPBBGOY-RHSMWYFYSA-N 1 2 345.512 3.151 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc(C(C)(C)C)no2)C[C@H]1C ZINC001208458481 1371774331 /nfs/dbraw/zinc/77/43/31/1371774331.db2.gz LDOUTZFQHJOETH-QLFBSQMISA-N 1 2 348.491 3.221 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc(C(C)(C)C)no2)C[C@H]1C ZINC001208458481 1371774334 /nfs/dbraw/zinc/77/43/34/1371774334.db2.gz LDOUTZFQHJOETH-QLFBSQMISA-N 1 2 348.491 3.221 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ncc(C)o3)C[C@H]2C)CC1 ZINC001208500319 1371788829 /nfs/dbraw/zinc/78/88/29/1371788829.db2.gz NONHNLBSIDDEGB-FVQBIDKESA-N 1 2 331.460 3.227 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3ncc(C)o3)C[C@H]2C)CC1 ZINC001208500319 1371788832 /nfs/dbraw/zinc/78/88/32/1371788832.db2.gz NONHNLBSIDDEGB-FVQBIDKESA-N 1 2 331.460 3.227 20 30 EGEDLO C#CCN(c1nnc([C@H]2CCCC[N@@H+]2C)n1C)[C@@H]1CCc2ccccc21 ZINC001121500221 1371992593 /nfs/dbraw/zinc/99/25/93/1371992593.db2.gz PHRHNABBQVWBKB-RTBURBONSA-N 1 2 349.482 3.099 20 30 EGEDLO C#CCN(c1nnc([C@H]2CCCC[N@H+]2C)n1C)[C@@H]1CCc2ccccc21 ZINC001121500221 1371992596 /nfs/dbraw/zinc/99/25/96/1371992596.db2.gz PHRHNABBQVWBKB-RTBURBONSA-N 1 2 349.482 3.099 20 30 EGEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@@H](CC(C)(C)C)C1 ZINC001121714989 1372057574 /nfs/dbraw/zinc/05/75/74/1372057574.db2.gz LLBXWDLRQRVDCL-HNNXBMFYSA-N 1 2 342.491 3.051 20 30 EGEDLO CC(C)(C)OC(=O)N(CC[NH+]1CC(CC#N)C1)C(=O)OC(C)(C)C ZINC001209338605 1372072459 /nfs/dbraw/zinc/07/24/59/1372072459.db2.gz QVLHTNQNWHWQDZ-UHFFFAOYSA-N 1 2 339.436 3.004 20 30 EGEDLO Cc1cc(Cl)ncc1C[NH+]1CCN(c2cccc(C#N)c2)CC1 ZINC001209632716 1372156716 /nfs/dbraw/zinc/15/67/16/1372156716.db2.gz BUFNNFJPBDURGG-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001122536596 1372268417 /nfs/dbraw/zinc/26/84/17/1372268417.db2.gz HVCUEYGTSDEFRK-KSZLIROESA-N 1 2 341.503 3.413 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001122536596 1372268421 /nfs/dbraw/zinc/26/84/21/1372268421.db2.gz HVCUEYGTSDEFRK-KSZLIROESA-N 1 2 341.503 3.413 20 30 EGEDLO N#C[C@H]1C[NH2+]CCN1Cc1ccc(-c2ccccc2C(F)(F)F)o1 ZINC001210122401 1372275459 /nfs/dbraw/zinc/27/54/59/1372275459.db2.gz QBIHVIGEQNMROL-LBPRGKRZSA-N 1 2 335.329 3.263 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC(C)(C#N)CC1 ZINC001122622940 1372285535 /nfs/dbraw/zinc/28/55/35/1372285535.db2.gz LYOWVHIGRPFFMQ-INIZCTEOSA-N 1 2 342.491 3.141 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC(C)(C#N)CC1 ZINC001122622940 1372285539 /nfs/dbraw/zinc/28/55/39/1372285539.db2.gz LYOWVHIGRPFFMQ-INIZCTEOSA-N 1 2 342.491 3.141 20 30 EGEDLO C1#Cc2ccccc2[C@H](OCC[NH+]2CCOCC2)Cc2ccccc21 ZINC001210208620 1372294779 /nfs/dbraw/zinc/29/47/79/1372294779.db2.gz VAZMVKXZAHSUNI-JOCHJYFZSA-N 1 2 333.431 3.032 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)CC2CCCCC2)C1 ZINC001210337713 1372327088 /nfs/dbraw/zinc/32/70/88/1372327088.db2.gz UNLWCEPBKAZKDL-UHOFOFEASA-N 1 2 330.875 3.484 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)CC2CCCCC2)C1 ZINC001210337713 1372327091 /nfs/dbraw/zinc/32/70/91/1372327091.db2.gz UNLWCEPBKAZKDL-UHOFOFEASA-N 1 2 330.875 3.484 20 30 EGEDLO C=CCCC(=O)N1CC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)[C@H]1C ZINC001122950829 1372346577 /nfs/dbraw/zinc/34/65/77/1372346577.db2.gz PCAMSUNGKVSAMY-CJNGLKHVSA-N 1 2 328.460 3.031 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)[C@@H]1C ZINC001122950831 1372346833 /nfs/dbraw/zinc/34/68/33/1372346833.db2.gz PCAMSUNGKVSAMY-XJKSGUPXSA-N 1 2 328.460 3.031 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ncc(C)o3)C[C@H]2C)CCCCC1 ZINC001211235716 1372508770 /nfs/dbraw/zinc/50/87/70/1372508770.db2.gz VPWACMMYDLOCHX-NVXWUHKLSA-N 1 2 345.487 3.446 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ncc(C)o3)C[C@H]2C)CCCCC1 ZINC001211235716 1372508774 /nfs/dbraw/zinc/50/87/74/1372508774.db2.gz VPWACMMYDLOCHX-NVXWUHKLSA-N 1 2 345.487 3.446 20 30 EGEDLO CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001187979236 1388204140 /nfs/dbraw/zinc/20/41/40/1388204140.db2.gz XTOQHLKTNITXSC-MJBXVCDLSA-N 1 2 338.389 3.390 20 30 EGEDLO CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001187979236 1388204145 /nfs/dbraw/zinc/20/41/45/1388204145.db2.gz XTOQHLKTNITXSC-MJBXVCDLSA-N 1 2 338.389 3.390 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001123636434 1372534636 /nfs/dbraw/zinc/53/46/36/1372534636.db2.gz MNEDKEXSKQCEDX-NVXWUHKLSA-N 1 2 330.476 3.232 20 30 EGEDLO N#Cc1c(Nc2ccc(C[NH+]3CC(O)C3)cc2)sc2c1CCCC2 ZINC001212664617 1372747769 /nfs/dbraw/zinc/74/77/69/1372747769.db2.gz WHISBLRBVYDRHI-UHFFFAOYSA-N 1 2 339.464 3.419 20 30 EGEDLO N#Cc1cc2cccnc2nc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212693236 1372754144 /nfs/dbraw/zinc/75/41/44/1372754144.db2.gz KKJURLRSQIAOCR-UHFFFAOYSA-N 1 2 326.363 3.490 20 30 EGEDLO N#C[C@@H]1CC=C(Nc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC001212862612 1372787401 /nfs/dbraw/zinc/78/74/01/1372787401.db2.gz OGHUUUHBGVXLII-MRXNPFEDSA-N 1 2 327.428 3.017 20 30 EGEDLO C=CCC1(C(=O)N[C@@H](CNc2cc[nH+]c(C)n2)C(C)(C)C)CCC1 ZINC001126103657 1372935102 /nfs/dbraw/zinc/93/51/02/1372935102.db2.gz UFNTZKLMXNCHLL-HNNXBMFYSA-N 1 2 330.476 3.474 20 30 EGEDLO C=CCCC(=O)N[C@@H](C)C1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001126711852 1373003992 /nfs/dbraw/zinc/00/39/92/1373003992.db2.gz WLHSFECPWLAUEE-HNNXBMFYSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)/C(C)=C\C)c2C1 ZINC001128300294 1373249523 /nfs/dbraw/zinc/24/95/23/1373249523.db2.gz FBGMJOZJSDYPKG-BNCCVWRVSA-N 1 2 330.476 3.028 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)/C(C)=C\C)c2C1 ZINC001128300294 1373249527 /nfs/dbraw/zinc/24/95/27/1373249527.db2.gz FBGMJOZJSDYPKG-BNCCVWRVSA-N 1 2 330.476 3.028 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)C3(C)CCC3)c2C1 ZINC001128436713 1373266596 /nfs/dbraw/zinc/26/65/96/1373266596.db2.gz ACZACUNTDYINOH-UHFFFAOYSA-N 1 2 346.519 3.476 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)C3(C)CCC3)c2C1 ZINC001128436713 1373266600 /nfs/dbraw/zinc/26/66/00/1373266600.db2.gz ACZACUNTDYINOH-UHFFFAOYSA-N 1 2 346.519 3.476 20 30 EGEDLO C=CCCCC(=O)NCc1cnn2c1C[N@H+](CC/C=C\CC)CC2 ZINC001128463507 1373272974 /nfs/dbraw/zinc/27/29/74/1373272974.db2.gz LBPCAIIFRAXNMR-ALCCZGGFSA-N 1 2 330.476 3.028 20 30 EGEDLO C=CCCCC(=O)NCc1cnn2c1C[N@@H+](CC/C=C\CC)CC2 ZINC001128463507 1373272975 /nfs/dbraw/zinc/27/29/75/1373272975.db2.gz LBPCAIIFRAXNMR-ALCCZGGFSA-N 1 2 330.476 3.028 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@H](C)C(C)C)c2C1 ZINC001128513111 1373280852 /nfs/dbraw/zinc/28/08/52/1373280852.db2.gz VGSKMEAHXGDXBX-QGZVFWFLSA-N 1 2 346.519 3.353 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@H](C)C(C)C)c2C1 ZINC001128513111 1373280854 /nfs/dbraw/zinc/28/08/54/1373280854.db2.gz VGSKMEAHXGDXBX-QGZVFWFLSA-N 1 2 346.519 3.353 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C3(C)CCC(C)CC3)c2C1 ZINC001128593771 1373295672 /nfs/dbraw/zinc/29/56/72/1373295672.db2.gz KVBOWYCRFAJPPG-UHFFFAOYSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C3(C)CCC(C)CC3)c2C1 ZINC001128593771 1373295678 /nfs/dbraw/zinc/29/56/78/1373295678.db2.gz KVBOWYCRFAJPPG-UHFFFAOYSA-N 1 2 344.503 3.107 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)CCC1(C)CC1)C[C@@H](C)O2 ZINC001131692510 1373766432 /nfs/dbraw/zinc/76/64/32/1373766432.db2.gz HUYIZMVFHMXNKT-QAPCUYQASA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CCC1(C)CC1)C[C@@H](C)O2 ZINC001131692510 1373766434 /nfs/dbraw/zinc/76/64/34/1373766434.db2.gz HUYIZMVFHMXNKT-QAPCUYQASA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)CCC2CC2)CC[C@@H]1C ZINC001131921334 1375046061 /nfs/dbraw/zinc/04/60/61/1375046061.db2.gz ALRWMKGCDLEAPV-GXTWGEPZSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)CCC2CC2)CC[C@@H]1C ZINC001131921334 1375046063 /nfs/dbraw/zinc/04/60/63/1375046063.db2.gz ALRWMKGCDLEAPV-GXTWGEPZSA-N 1 2 329.282 3.054 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001131959609 1375070834 /nfs/dbraw/zinc/07/08/34/1375070834.db2.gz GPZOOIAGNZXWBX-YOEHRIQHSA-N 1 2 329.419 3.291 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001131959609 1375070839 /nfs/dbraw/zinc/07/08/39/1375070839.db2.gz GPZOOIAGNZXWBX-YOEHRIQHSA-N 1 2 329.419 3.291 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccncc2Cl)C1 ZINC001131971014 1375076174 /nfs/dbraw/zinc/07/61/74/1375076174.db2.gz APGIOQFGLFFWHC-DOTOQJQBSA-N 1 2 347.890 3.398 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccncc2Cl)C1 ZINC001131971014 1375076177 /nfs/dbraw/zinc/07/61/77/1375076177.db2.gz APGIOQFGLFFWHC-DOTOQJQBSA-N 1 2 347.890 3.398 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001132002669 1375094142 /nfs/dbraw/zinc/09/41/42/1375094142.db2.gz MFQLAVCCCLHGDF-HOCLYGCPSA-N 1 2 333.863 3.008 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001132002669 1375094148 /nfs/dbraw/zinc/09/41/48/1375094148.db2.gz MFQLAVCCCLHGDF-HOCLYGCPSA-N 1 2 333.863 3.008 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC001132017011 1375100416 /nfs/dbraw/zinc/10/04/16/1375100416.db2.gz LYSKZSKKRADHGS-HOCLYGCPSA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC001132017011 1375100419 /nfs/dbraw/zinc/10/04/19/1375100419.db2.gz LYSKZSKKRADHGS-HOCLYGCPSA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cccc(F)c2F)C1 ZINC001132018490 1375101375 /nfs/dbraw/zinc/10/13/75/1375101375.db2.gz XPTNWYDGFAQBHG-ZBFHGGJFSA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cccc(F)c2F)C1 ZINC001132018490 1375101380 /nfs/dbraw/zinc/10/13/80/1375101380.db2.gz XPTNWYDGFAQBHG-ZBFHGGJFSA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cccc(F)c2F)C1 ZINC001132018489 1375101645 /nfs/dbraw/zinc/10/16/45/1375101645.db2.gz XPTNWYDGFAQBHG-HOCLYGCPSA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cccc(F)c2F)C1 ZINC001132018489 1375101648 /nfs/dbraw/zinc/10/16/48/1375101648.db2.gz XPTNWYDGFAQBHG-HOCLYGCPSA-N 1 2 334.410 3.093 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001132071494 1375133082 /nfs/dbraw/zinc/13/30/82/1375133082.db2.gz BEQLLTHWVPVURX-IRXDYDNUSA-N 1 2 332.492 3.289 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001132071494 1375133086 /nfs/dbraw/zinc/13/30/86/1375133086.db2.gz BEQLLTHWVPVURX-IRXDYDNUSA-N 1 2 332.492 3.289 20 30 EGEDLO C[C@@H](Oc1ccc(C#N)cc1F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226049381 1375195762 /nfs/dbraw/zinc/19/57/62/1375195762.db2.gz PMNVFNBRLWTRLK-QRWLVFNGSA-N 1 2 340.398 3.366 20 30 EGEDLO C[C@@H](Oc1ccc(C#N)cc1F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226049381 1375195765 /nfs/dbraw/zinc/19/57/65/1375195765.db2.gz PMNVFNBRLWTRLK-QRWLVFNGSA-N 1 2 340.398 3.366 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001132218665 1375217301 /nfs/dbraw/zinc/21/73/01/1375217301.db2.gz TXRSIUGVAMDATC-DZGCQCFKSA-N 1 2 335.879 3.416 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001132218665 1375217306 /nfs/dbraw/zinc/21/73/06/1375217306.db2.gz TXRSIUGVAMDATC-DZGCQCFKSA-N 1 2 335.879 3.416 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ncc(C)o2)C1 ZINC001132228242 1375224759 /nfs/dbraw/zinc/22/47/59/1375224759.db2.gz NYNYSCLMUMXAJY-WBVHZDCISA-N 1 2 331.460 3.036 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ncc(C)o2)C1 ZINC001132228242 1375224763 /nfs/dbraw/zinc/22/47/63/1375224763.db2.gz NYNYSCLMUMXAJY-WBVHZDCISA-N 1 2 331.460 3.036 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC=C(Cl)Cl)C1 ZINC001132235593 1375230647 /nfs/dbraw/zinc/23/06/47/1375230647.db2.gz QBMKQCFNMWMMBP-KGLIPLIRSA-N 1 2 331.287 3.468 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC=C(Cl)Cl)C1 ZINC001132235593 1375230648 /nfs/dbraw/zinc/23/06/48/1375230648.db2.gz QBMKQCFNMWMMBP-KGLIPLIRSA-N 1 2 331.287 3.468 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2F)C1 ZINC001226270847 1375231137 /nfs/dbraw/zinc/23/11/37/1375231137.db2.gz VAQRNMJMCBGTKB-MRXNPFEDSA-N 1 2 341.342 3.259 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2F)C1 ZINC001226270847 1375231142 /nfs/dbraw/zinc/23/11/42/1375231142.db2.gz VAQRNMJMCBGTKB-MRXNPFEDSA-N 1 2 341.342 3.259 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)CCCC2CC2)CC[C@H]1C ZINC001132245680 1375240695 /nfs/dbraw/zinc/24/06/95/1375240695.db2.gz NZUVXXKODXNIFS-UKRRQHHQSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)CCCC2CC2)CC[C@H]1C ZINC001132245680 1375240704 /nfs/dbraw/zinc/24/07/04/1375240704.db2.gz NZUVXXKODXNIFS-UKRRQHHQSA-N 1 2 343.309 3.444 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001132256726 1375250222 /nfs/dbraw/zinc/25/02/22/1375250222.db2.gz PNSJLCJHBICESV-HZPDHXFCSA-N 1 2 345.487 3.379 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2noc3c2CCCC3)C1 ZINC001132256726 1375250225 /nfs/dbraw/zinc/25/02/25/1375250225.db2.gz PNSJLCJHBICESV-HZPDHXFCSA-N 1 2 345.487 3.379 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3nocc3C)C2)CCC1 ZINC001132281450 1375263029 /nfs/dbraw/zinc/26/30/29/1375263029.db2.gz CERWFHBGVHGZKK-HOTGVXAUSA-N 1 2 331.460 3.199 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3nocc3C)C2)CCC1 ZINC001132281450 1375263034 /nfs/dbraw/zinc/26/30/34/1375263034.db2.gz CERWFHBGVHGZKK-HOTGVXAUSA-N 1 2 331.460 3.199 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cnnn2C)C1 ZINC001132437503 1375382402 /nfs/dbraw/zinc/38/24/02/1375382402.db2.gz VNGIYKPOBLOZNI-DLBZAZTESA-N 1 2 349.523 3.035 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cnnn2C)C1 ZINC001132437503 1375382406 /nfs/dbraw/zinc/38/24/06/1375382406.db2.gz VNGIYKPOBLOZNI-DLBZAZTESA-N 1 2 349.523 3.035 20 30 EGEDLO C=CCC(CC=C)C(=O)NC1CC[NH+]([C@@H](C)c2nnc(CC)o2)CC1 ZINC001227513118 1375440629 /nfs/dbraw/zinc/44/06/29/1375440629.db2.gz QXTUSNOHXJDCSI-AWEZNQCLSA-N 1 2 346.475 3.042 20 30 EGEDLO C=CCC(CC=C)C(=O)NC1CC[NH+]([C@H](C)c2nnc(CC)o2)CC1 ZINC001227513120 1375440685 /nfs/dbraw/zinc/44/06/85/1375440685.db2.gz QXTUSNOHXJDCSI-CQSZACIVSA-N 1 2 346.475 3.042 20 30 EGEDLO C=CC(C)(C)CC(=O)NC1CC[NH+]([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC001227570608 1375445682 /nfs/dbraw/zinc/44/56/82/1375445682.db2.gz MVKZSAVBHNWXNW-AWEZNQCLSA-N 1 2 348.491 3.437 20 30 EGEDLO C=C(C)CCC(=O)NC1CC[NH+](Cc2ccn(C3CCCC3)n2)CC1 ZINC001227588199 1375447745 /nfs/dbraw/zinc/44/77/45/1375447745.db2.gz JIHXXZXJKFMBLX-UHFFFAOYSA-N 1 2 344.503 3.435 20 30 EGEDLO COc1ccc(F)c(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1F ZINC001227851868 1375482610 /nfs/dbraw/zinc/48/26/10/1375482610.db2.gz ZXNKGBOEXQYWRG-OAHLLOKOSA-N 1 2 344.361 3.498 20 30 EGEDLO COc1ccc(F)c(O[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1F ZINC001227851868 1375482611 /nfs/dbraw/zinc/48/26/11/1375482611.db2.gz ZXNKGBOEXQYWRG-OAHLLOKOSA-N 1 2 344.361 3.498 20 30 EGEDLO C=CC(C)(C)C(=O)NC1CC[NH+]([C@@H](C)c2nnc(CC(C)C)o2)CC1 ZINC001228631171 1375621693 /nfs/dbraw/zinc/62/16/93/1375621693.db2.gz FQWIGCMWCXFUNJ-AWEZNQCLSA-N 1 2 348.491 3.122 20 30 EGEDLO C=CCC1(C(=O)NC2CC[NH+]([C@@H](C)c3nnc(C)s3)CC2)CCC1 ZINC001229029663 1375746123 /nfs/dbraw/zinc/74/61/23/1375746123.db2.gz HZDDBXUMOMZWPB-ZDUSSCGKSA-N 1 2 348.516 3.235 20 30 EGEDLO CCCC1(C(=O)NC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)CC1 ZINC001229102588 1375763349 /nfs/dbraw/zinc/76/33/49/1375763349.db2.gz GZJABZMTIHVIPC-UHFFFAOYSA-N 1 2 343.446 3.358 20 30 EGEDLO C=CCC(C)(C)C(=O)NC1CC[NH+]([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC001229369339 1375821205 /nfs/dbraw/zinc/82/12/05/1375821205.db2.gz LLDWQTUBLCBXFP-AWEZNQCLSA-N 1 2 348.491 3.437 20 30 EGEDLO C=CCC(C)(C)C(=O)NC1CC[NH+]([C@H](C)c2nnc(C)s2)CC1 ZINC001229376640 1375822410 /nfs/dbraw/zinc/82/24/10/1375822410.db2.gz FNVVYIVRAIAXQY-GFCCVEGCSA-N 1 2 336.505 3.090 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccn(C(C)C)n3)C[C@H]21 ZINC001188896237 1388404390 /nfs/dbraw/zinc/40/43/90/1388404390.db2.gz MFDFCTAQLRBHIJ-JENIJYKNSA-N 1 2 344.503 3.099 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(C(C)C)n3)C[C@H]21 ZINC001188896237 1388404392 /nfs/dbraw/zinc/40/43/92/1388404392.db2.gz MFDFCTAQLRBHIJ-JENIJYKNSA-N 1 2 344.503 3.099 20 30 EGEDLO CCOC[C@H](C)Oc1nc(C)c(-c2ccc3[nH+]ccn3c2)cc1C#N ZINC001229768325 1375890136 /nfs/dbraw/zinc/89/01/36/1375890136.db2.gz LHUBYSJBXPALJB-ZDUSSCGKSA-N 1 2 336.395 3.380 20 30 EGEDLO CC[C@H](COc1nc(C)c(-c2ccc3[nH+]ccn3c2)cc1C#N)OC ZINC001229770184 1375890196 /nfs/dbraw/zinc/89/01/96/1375890196.db2.gz XZPYVDJUAYJZJS-MRXNPFEDSA-N 1 2 336.395 3.380 20 30 EGEDLO CC(C)C[C@@H](C)C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001229768125 1375890314 /nfs/dbraw/zinc/89/03/14/1375890314.db2.gz BZSAWNNOXYIDII-OAHLLOKOSA-N 1 2 345.462 3.460 20 30 EGEDLO CC(C)C[C@H](C)OCCC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230569375 1376081926 /nfs/dbraw/zinc/08/19/26/1376081926.db2.gz KYJRBNLQLGXQAF-PKOBYXMFSA-N 1 2 349.519 3.054 20 30 EGEDLO CC(C)C[C@H](C)OCCC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001230569375 1376081934 /nfs/dbraw/zinc/08/19/34/1376081934.db2.gz KYJRBNLQLGXQAF-PKOBYXMFSA-N 1 2 349.519 3.054 20 30 EGEDLO C=C(Cl)C[N@@H+](CCCNC(=O)/C=C(\C)C1CC1)Cc1cccnc1 ZINC001230699578 1376128429 /nfs/dbraw/zinc/12/84/29/1376128429.db2.gz CPIYVWQTFZWKHZ-RVDMUPIBSA-N 1 2 347.890 3.499 20 30 EGEDLO C=C(Cl)C[N@H+](CCCNC(=O)/C=C(\C)C1CC1)Cc1cccnc1 ZINC001230699578 1376128435 /nfs/dbraw/zinc/12/84/35/1376128435.db2.gz CPIYVWQTFZWKHZ-RVDMUPIBSA-N 1 2 347.890 3.499 20 30 EGEDLO C[C@@H](C#N)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1c(Cl)oc2ccccc21 ZINC001231294174 1376223051 /nfs/dbraw/zinc/22/30/51/1376223051.db2.gz VTCCZQCTVJUQDQ-STQMWFEESA-N 1 2 345.830 3.279 20 30 EGEDLO C[C@@H](C#N)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1c(Cl)oc2ccccc21 ZINC001231294174 1376223055 /nfs/dbraw/zinc/22/30/55/1376223055.db2.gz VTCCZQCTVJUQDQ-STQMWFEESA-N 1 2 345.830 3.279 20 30 EGEDLO C=CCOC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2C)CC1 ZINC001232005631 1376380392 /nfs/dbraw/zinc/38/03/92/1376380392.db2.gz PFWOLFKULDHBAH-UHFFFAOYSA-N 1 2 342.361 3.454 20 30 EGEDLO CC(=O)Nc1nc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)cs1 ZINC001232285649 1376431356 /nfs/dbraw/zinc/43/13/56/1376431356.db2.gz BUNNEBIVCKLJQR-UHFFFAOYSA-N 1 2 340.452 3.353 20 30 EGEDLO CC(C)[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(F)ccc1C#N ZINC001232893230 1376535877 /nfs/dbraw/zinc/53/58/77/1376535877.db2.gz SKFQQQRUBZHVFZ-UHFFFAOYSA-N 1 2 335.423 3.432 20 30 EGEDLO CC(C)[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(F)ccc1C#N ZINC001232893230 1376535880 /nfs/dbraw/zinc/53/58/80/1376535880.db2.gz SKFQQQRUBZHVFZ-UHFFFAOYSA-N 1 2 335.423 3.432 20 30 EGEDLO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001233045888 1376560200 /nfs/dbraw/zinc/56/02/00/1376560200.db2.gz XUSRRBSBEZEBCY-AZUAARDMSA-N 1 2 343.471 3.217 20 30 EGEDLO N#Cc1cc[nH]c1C[N@H+]1CCC[C@@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001233045888 1376560203 /nfs/dbraw/zinc/56/02/03/1376560203.db2.gz XUSRRBSBEZEBCY-AZUAARDMSA-N 1 2 343.471 3.217 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)c(O)c1 ZINC001233386497 1376633741 /nfs/dbraw/zinc/63/37/41/1376633741.db2.gz WHDNVGHAZNYBKV-UHFFFAOYSA-N 1 2 341.842 3.235 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCc3nn(-c4ccccc4)cc3C2)c(O)c1 ZINC001233386892 1376635292 /nfs/dbraw/zinc/63/52/92/1376635292.db2.gz MLCRNULEQFKFRB-UHFFFAOYSA-N 1 2 330.391 3.008 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCc3nn(-c4ccccc4)cc3C2)c(O)c1 ZINC001233386892 1376635298 /nfs/dbraw/zinc/63/52/98/1376635298.db2.gz MLCRNULEQFKFRB-UHFFFAOYSA-N 1 2 330.391 3.008 20 30 EGEDLO COc1cc(CN(CCC#N)Cc2cccnc2)ccc1-n1cc[nH+]c1 ZINC001234033380 1376757442 /nfs/dbraw/zinc/75/74/42/1376757442.db2.gz SPIHYOVRSGYYSZ-UHFFFAOYSA-N 1 2 347.422 3.192 20 30 EGEDLO COC(=O)[C@H]([NH3+])c1ccc(-c2ccc(C(F)(F)F)cc2C#N)cc1 ZINC001238844641 1377002955 /nfs/dbraw/zinc/00/29/55/1377002955.db2.gz ONWKLIPHWDMTOZ-OAHLLOKOSA-N 1 2 334.297 3.417 20 30 EGEDLO CC(=O)NCc1cc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)ccc1F ZINC001242830687 1377029406 /nfs/dbraw/zinc/02/94/06/1377029406.db2.gz VRAFOKVCLZXGSH-FSJBWODESA-N 1 2 338.386 3.222 20 30 EGEDLO COc1cc(C[N@@H+]2CCc3ccc(C#N)cc3C2)cc(F)c1OC ZINC001137502029 1377557866 /nfs/dbraw/zinc/55/78/66/1377557866.db2.gz VIYJGNPAXGSYMU-UHFFFAOYSA-N 1 2 326.371 3.273 20 30 EGEDLO COc1cc(C[N@H+]2CCc3ccc(C#N)cc3C2)cc(F)c1OC ZINC001137502029 1377557868 /nfs/dbraw/zinc/55/78/68/1377557868.db2.gz VIYJGNPAXGSYMU-UHFFFAOYSA-N 1 2 326.371 3.273 20 30 EGEDLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)ccc2C(F)(F)F)C1 ZINC001138087833 1377675376 /nfs/dbraw/zinc/67/53/76/1377675376.db2.gz KULVXFFNZIROIS-NSHDSACASA-N 1 2 331.231 3.344 20 30 EGEDLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)ccc2C(F)(F)F)C1 ZINC001138087833 1377675377 /nfs/dbraw/zinc/67/53/77/1377675377.db2.gz KULVXFFNZIROIS-NSHDSACASA-N 1 2 331.231 3.344 20 30 EGEDLO CCC[N@H+](CC(=O)OCC)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139405695 1377879735 /nfs/dbraw/zinc/87/97/35/1377879735.db2.gz YHXHOJNEAFJUII-UHFFFAOYSA-N 1 2 337.423 3.395 20 30 EGEDLO CCC[N@@H+](CC(=O)OCC)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139405695 1377879740 /nfs/dbraw/zinc/87/97/40/1377879740.db2.gz YHXHOJNEAFJUII-UHFFFAOYSA-N 1 2 337.423 3.395 20 30 EGEDLO CCOC[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)Cc2cn(CC)nc21 ZINC001139528154 1377898478 /nfs/dbraw/zinc/89/84/78/1377898478.db2.gz LOZAQSHYXZTIIN-QGZVFWFLSA-N 1 2 342.418 3.050 20 30 EGEDLO CCOC[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)Cc2cn(CC)nc21 ZINC001139528154 1377898481 /nfs/dbraw/zinc/89/84/81/1377898481.db2.gz LOZAQSHYXZTIIN-QGZVFWFLSA-N 1 2 342.418 3.050 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C[N@@H+]2Cc2cc(C#N)ccc2F)C1 ZINC001139645998 1377924976 /nfs/dbraw/zinc/92/49/76/1377924976.db2.gz IRUNFWSHHQWHDH-DOTOQJQBSA-N 1 2 345.418 3.139 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C[N@H+]2Cc2cc(C#N)ccc2F)C1 ZINC001139645998 1377924978 /nfs/dbraw/zinc/92/49/78/1377924978.db2.gz IRUNFWSHHQWHDH-DOTOQJQBSA-N 1 2 345.418 3.139 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(Cl)c3C#N)C[C@H]21 ZINC001139687384 1377934596 /nfs/dbraw/zinc/93/45/96/1377934596.db2.gz PMDXSFOZNNPQFE-FOLVSLTJSA-N 1 2 347.846 3.167 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(Cl)c3C#N)C[C@H]21 ZINC001139687384 1377934603 /nfs/dbraw/zinc/93/46/03/1377934603.db2.gz PMDXSFOZNNPQFE-FOLVSLTJSA-N 1 2 347.846 3.167 20 30 EGEDLO CCn1cc2c(n1)C[N@@H+](Cc1c[nH]c3c1cccc3C#N)C[C@H]2COC ZINC001139702920 1377937543 /nfs/dbraw/zinc/93/75/43/1377937543.db2.gz IBUHJHZRRJZMRX-INIZCTEOSA-N 1 2 349.438 3.002 20 30 EGEDLO CCn1cc2c(n1)C[N@H+](Cc1c[nH]c3c1cccc3C#N)C[C@H]2COC ZINC001139702920 1377937550 /nfs/dbraw/zinc/93/75/50/1377937550.db2.gz IBUHJHZRRJZMRX-INIZCTEOSA-N 1 2 349.438 3.002 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1cc2ccccc2cn1 ZINC001139997463 1377989046 /nfs/dbraw/zinc/98/90/46/1377989046.db2.gz GHOMHOCSBGWSKS-FQEVSTJZSA-N 1 2 348.450 3.270 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1cc2ccccc2cn1 ZINC001139997463 1377989050 /nfs/dbraw/zinc/98/90/50/1377989050.db2.gz GHOMHOCSBGWSKS-FQEVSTJZSA-N 1 2 348.450 3.270 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@@H]3COC[C@H](C2)[N@@H+]3C[C@@H](CC)CCCC)C1 ZINC001273133786 1378089363 /nfs/dbraw/zinc/08/93/63/1378089363.db2.gz GDDGGHCKTHBVRW-GBESFXJTSA-N 1 2 348.531 3.471 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@@H]3COC[C@H](C2)[N@H+]3C[C@@H](CC)CCCC)C1 ZINC001273133786 1378089365 /nfs/dbraw/zinc/08/93/65/1378089365.db2.gz GDDGGHCKTHBVRW-GBESFXJTSA-N 1 2 348.531 3.471 20 30 EGEDLO N#Cc1ccc(Cl)c(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)c1 ZINC001140601528 1378095922 /nfs/dbraw/zinc/09/59/22/1378095922.db2.gz RWXSKSIWOIBEPA-KRWDZBQOSA-N 1 2 331.847 3.189 20 30 EGEDLO N#Cc1ccc(Cl)c(C[N@H+]2CCCC[C@H]2C(=O)N2CCCC2)c1 ZINC001140601528 1378095924 /nfs/dbraw/zinc/09/59/24/1378095924.db2.gz RWXSKSIWOIBEPA-KRWDZBQOSA-N 1 2 331.847 3.189 20 30 EGEDLO CC(C)(C)CC(=O)NC1CC[NH+](Cc2cc(F)c(C#N)c(F)c2)CC1 ZINC001140755408 1378130488 /nfs/dbraw/zinc/13/04/88/1378130488.db2.gz DSDXZYOZSCNTAA-UHFFFAOYSA-N 1 2 349.425 3.353 20 30 EGEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140754318 1378130935 /nfs/dbraw/zinc/13/09/35/1378130935.db2.gz VCRVPYUXJDLJAZ-ZDUSSCGKSA-N 1 2 336.382 3.390 20 30 EGEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140754318 1378130938 /nfs/dbraw/zinc/13/09/38/1378130938.db2.gz VCRVPYUXJDLJAZ-ZDUSSCGKSA-N 1 2 336.382 3.390 20 30 EGEDLO N#Cc1ccc(CN2CCC[C@]3(CC[N@@H+](C4CCCC4)C3)C2)c(O)c1 ZINC001276494227 1378175600 /nfs/dbraw/zinc/17/56/00/1378175600.db2.gz QREIVUAZOLRKDZ-NRFANRHFSA-N 1 2 339.483 3.494 20 30 EGEDLO N#Cc1ccc(CN2CCC[C@]3(CC[N@H+](C4CCCC4)C3)C2)c(O)c1 ZINC001276494227 1378175604 /nfs/dbraw/zinc/17/56/04/1378175604.db2.gz QREIVUAZOLRKDZ-NRFANRHFSA-N 1 2 339.483 3.494 20 30 EGEDLO N#Cc1ccccc1OC1C[NH+](Cc2cccc(-c3ncccn3)c2)C1 ZINC001140983098 1378199077 /nfs/dbraw/zinc/19/90/77/1378199077.db2.gz ASSVKFBBYOJGPA-UHFFFAOYSA-N 1 2 342.402 3.278 20 30 EGEDLO COc1ccc2c(c1)C[N@@H+](Cc1sc(N)c(C#N)c1Cl)CC2 ZINC001141106764 1378240946 /nfs/dbraw/zinc/24/09/46/1378240946.db2.gz HSOLKQGFVKBGBM-UHFFFAOYSA-N 1 2 333.844 3.422 20 30 EGEDLO COc1ccc2c(c1)C[N@H+](Cc1sc(N)c(C#N)c1Cl)CC2 ZINC001141106764 1378240952 /nfs/dbraw/zinc/24/09/52/1378240952.db2.gz HSOLKQGFVKBGBM-UHFFFAOYSA-N 1 2 333.844 3.422 20 30 EGEDLO CC(C)(C)OC(=O)N1CC2(C1)CC[N@H+](Cc1ccc(F)cc1C#N)C2 ZINC001141163537 1378256442 /nfs/dbraw/zinc/25/64/42/1378256442.db2.gz IYDSHIHADQTVGT-UHFFFAOYSA-N 1 2 345.418 3.140 20 30 EGEDLO CC(C)(C)OC(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(F)cc1C#N)C2 ZINC001141163537 1378256446 /nfs/dbraw/zinc/25/64/46/1378256446.db2.gz IYDSHIHADQTVGT-UHFFFAOYSA-N 1 2 345.418 3.140 20 30 EGEDLO COC[C@@H]1C[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)CCO1 ZINC001141295834 1378293486 /nfs/dbraw/zinc/29/34/86/1378293486.db2.gz MVRDGIGVTZVWOR-FQEVSTJZSA-N 1 2 338.407 3.198 20 30 EGEDLO COC[C@@H]1C[N@@H+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)CCO1 ZINC001141295834 1378293489 /nfs/dbraw/zinc/29/34/89/1378293489.db2.gz MVRDGIGVTZVWOR-FQEVSTJZSA-N 1 2 338.407 3.198 20 30 EGEDLO C#C[C@H]1CCC[N@@H+](Cc2cc(I)cs2)C1 ZINC001141864959 1378387665 /nfs/dbraw/zinc/38/76/65/1378387665.db2.gz SINVSZVCGAYDTN-JTQLQIEISA-N 1 2 331.222 3.198 20 30 EGEDLO C#C[C@H]1CCC[N@H+](Cc2cc(I)cs2)C1 ZINC001141864959 1378387667 /nfs/dbraw/zinc/38/76/67/1378387667.db2.gz SINVSZVCGAYDTN-JTQLQIEISA-N 1 2 331.222 3.198 20 30 EGEDLO N#C[C@H]1CCC[N@@H+](Cc2cc(I)cs2)CC1 ZINC001141864630 1378387560 /nfs/dbraw/zinc/38/75/60/1378387560.db2.gz NFQNEUBIBICQAX-JTQLQIEISA-N 1 2 346.237 3.478 20 30 EGEDLO N#C[C@H]1CCC[N@H+](Cc2cc(I)cs2)CC1 ZINC001141864630 1378387562 /nfs/dbraw/zinc/38/75/62/1378387562.db2.gz NFQNEUBIBICQAX-JTQLQIEISA-N 1 2 346.237 3.478 20 30 EGEDLO OC[C@H]1C[C@H](F)C[N@H+](Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001141972353 1378400421 /nfs/dbraw/zinc/40/04/21/1378400421.db2.gz HZWIKEIMVIISLQ-IRXDYDNUSA-N 1 2 329.440 3.300 20 30 EGEDLO OC[C@H]1C[C@H](F)C[N@@H+](Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001141972353 1378400422 /nfs/dbraw/zinc/40/04/22/1378400422.db2.gz HZWIKEIMVIISLQ-IRXDYDNUSA-N 1 2 329.440 3.300 20 30 EGEDLO C#CC1(NC(=O)/C=C/c2ccc(Cn3cc[nH+]c3)cc2)CCCCC1 ZINC001142374195 1378436591 /nfs/dbraw/zinc/43/65/91/1378436591.db2.gz NTAXRKJJFXIKGQ-ZHACJKMWSA-N 1 2 333.435 3.397 20 30 EGEDLO C[N@H+](CC(=O)OCc1ccccc1)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142932387 1378512088 /nfs/dbraw/zinc/51/20/88/1378512088.db2.gz ZOVGIXZZCQAGSC-UHFFFAOYSA-N 1 2 333.391 3.215 20 30 EGEDLO C[N@@H+](CC(=O)OCc1ccccc1)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142932387 1378512095 /nfs/dbraw/zinc/51/20/95/1378512095.db2.gz ZOVGIXZZCQAGSC-UHFFFAOYSA-N 1 2 333.391 3.215 20 30 EGEDLO CC(C)N1CC2(CC1=O)CC[NH+](Cc1c(F)ccc(C#N)c1F)CC2 ZINC001143175874 1378554094 /nfs/dbraw/zinc/55/40/94/1378554094.db2.gz IZLFNJLDSVRAHJ-UHFFFAOYSA-N 1 2 347.409 3.059 20 30 EGEDLO CCC(C)(C)CC(=O)N[C@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001282715405 1378573840 /nfs/dbraw/zinc/57/38/40/1378573840.db2.gz UTFJFZPRNQYKEG-CQSZACIVSA-N 1 2 345.462 3.460 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3c(Cl)cccc3C#N)C[C@H]21 ZINC001143717460 1378638088 /nfs/dbraw/zinc/63/80/88/1378638088.db2.gz FMAWFQCDRLMWAW-FOLVSLTJSA-N 1 2 347.846 3.167 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3c(Cl)cccc3C#N)C[C@H]21 ZINC001143717460 1378638095 /nfs/dbraw/zinc/63/80/95/1378638095.db2.gz FMAWFQCDRLMWAW-FOLVSLTJSA-N 1 2 347.846 3.167 20 30 EGEDLO CC(C)C(=O)N1CCC[C@@]12CC[N@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001143724449 1378639125 /nfs/dbraw/zinc/63/91/25/1378639125.db2.gz XIPTZKMGJKDWDB-IBGZPJMESA-N 1 2 345.874 3.435 20 30 EGEDLO CC(C)C(=O)N1CCC[C@@]12CC[N@@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001143724449 1378639127 /nfs/dbraw/zinc/63/91/27/1378639127.db2.gz XIPTZKMGJKDWDB-IBGZPJMESA-N 1 2 345.874 3.435 20 30 EGEDLO N#Cc1ccccc1OC1C[NH+](Cc2c[nH]c3nc(Cl)ccc23)C1 ZINC001144419008 1378729199 /nfs/dbraw/zinc/72/91/99/1378729199.db2.gz ZUBQWAPGAJWEGP-UHFFFAOYSA-N 1 2 338.798 3.351 20 30 EGEDLO C#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](F)C2)cc1 ZINC001144567972 1378746109 /nfs/dbraw/zinc/74/61/09/1378746109.db2.gz GTPPBVUUTUBDMH-IAGOWNOFSA-N 1 2 332.419 3.105 20 30 EGEDLO C#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](F)C2)cc1 ZINC001144567972 1378746111 /nfs/dbraw/zinc/74/61/11/1378746111.db2.gz GTPPBVUUTUBDMH-IAGOWNOFSA-N 1 2 332.419 3.105 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1nnc(C)s1)C2 ZINC001148124777 1379121013 /nfs/dbraw/zinc/12/10/13/1379121013.db2.gz HMHFFPSUZDAWMF-UKRRQHHQSA-N 1 2 348.516 3.044 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1nnc(C)s1)C2 ZINC001148124777 1379121015 /nfs/dbraw/zinc/12/10/15/1379121015.db2.gz HMHFFPSUZDAWMF-UKRRQHHQSA-N 1 2 348.516 3.044 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)[C@@H](CC)CCC)C2)C1 ZINC001148507979 1379197098 /nfs/dbraw/zinc/19/70/98/1379197098.db2.gz VOYQOCBKEVMNGP-AWEZNQCLSA-N 1 2 343.309 3.256 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)CCC)C2)C1 ZINC001148507979 1379197101 /nfs/dbraw/zinc/19/71/01/1379197101.db2.gz VOYQOCBKEVMNGP-AWEZNQCLSA-N 1 2 343.309 3.256 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C)C(CC)CC)C1 ZINC001149930202 1379469207 /nfs/dbraw/zinc/46/92/07/1379469207.db2.gz JBJHLSOHFWRMJF-GDBMZVCRSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H](C)C(CC)CC)C1 ZINC001149930202 1379469210 /nfs/dbraw/zinc/46/92/10/1379469210.db2.gz JBJHLSOHFWRMJF-GDBMZVCRSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C(C)(C)CC(C)C)C1 ZINC001150562931 1379569333 /nfs/dbraw/zinc/56/93/33/1379569333.db2.gz UOUKXIXHPCXBMY-OAHLLOKOSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C(C)(C)CC(C)C)C1 ZINC001150562931 1379569337 /nfs/dbraw/zinc/56/93/37/1379569337.db2.gz UOUKXIXHPCXBMY-OAHLLOKOSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H](CC)CC(C)C)C1 ZINC001150562936 1379569413 /nfs/dbraw/zinc/56/94/13/1379569413.db2.gz UQSSCBJBFIKFNF-HZPDHXFCSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H](CC)CC(C)C)C1 ZINC001150562936 1379569419 /nfs/dbraw/zinc/56/94/19/1379569419.db2.gz UQSSCBJBFIKFNF-HZPDHXFCSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001150578667 1379571588 /nfs/dbraw/zinc/57/15/88/1379571588.db2.gz DQLCYUSVMDFJLF-JKSUJKDBSA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001150578667 1379571591 /nfs/dbraw/zinc/57/15/91/1379571591.db2.gz DQLCYUSVMDFJLF-JKSUJKDBSA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)/C=C\c1ccco1 ZINC001151596966 1379743955 /nfs/dbraw/zinc/74/39/55/1379743955.db2.gz HNIZFAGNOCKDBU-MEJMFZKBSA-N 1 2 341.249 3.028 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)/C=C\c1ccco1 ZINC001151596966 1379743958 /nfs/dbraw/zinc/74/39/58/1379743958.db2.gz HNIZFAGNOCKDBU-MEJMFZKBSA-N 1 2 341.249 3.028 20 30 EGEDLO C=CCOCC(=O)NC[C@@H](C)[N@H+](CC)Cc1c(F)cccc1Cl ZINC001152370980 1379922440 /nfs/dbraw/zinc/92/24/40/1379922440.db2.gz XEHMLQKKRAGFDR-CYBMUJFWSA-N 1 2 342.842 3.008 20 30 EGEDLO C=CCOCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1c(F)cccc1Cl ZINC001152370980 1379922442 /nfs/dbraw/zinc/92/24/42/1379922442.db2.gz XEHMLQKKRAGFDR-CYBMUJFWSA-N 1 2 342.842 3.008 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C(C)C)o1 ZINC001152842117 1379986092 /nfs/dbraw/zinc/98/60/92/1379986092.db2.gz NXGSBKRUHNOTIW-MRXNPFEDSA-N 1 2 333.476 3.318 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C(C)C)o1 ZINC001152842117 1379986093 /nfs/dbraw/zinc/98/60/93/1379986093.db2.gz NXGSBKRUHNOTIW-MRXNPFEDSA-N 1 2 333.476 3.318 20 30 EGEDLO C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001153471931 1380082820 /nfs/dbraw/zinc/08/28/20/1380082820.db2.gz RYJOGZUOUUGKPT-OLZOCXBDSA-N 1 2 326.378 3.460 20 30 EGEDLO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001153471931 1380082821 /nfs/dbraw/zinc/08/28/21/1380082821.db2.gz RYJOGZUOUUGKPT-OLZOCXBDSA-N 1 2 326.378 3.460 20 30 EGEDLO C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](F)C(F)(F)F ZINC001153471931 1380082823 /nfs/dbraw/zinc/08/28/23/1380082823.db2.gz RYJOGZUOUUGKPT-OLZOCXBDSA-N 1 2 326.378 3.460 20 30 EGEDLO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](F)C(F)(F)F ZINC001153471931 1380082827 /nfs/dbraw/zinc/08/28/27/1380082827.db2.gz RYJOGZUOUUGKPT-OLZOCXBDSA-N 1 2 326.378 3.460 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C1C=CC=CC=C1 ZINC001153625952 1380106744 /nfs/dbraw/zinc/10/67/44/1380106744.db2.gz QVQNONLLCYLSHN-CQSZACIVSA-N 1 2 339.277 3.020 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C1C=CC=CC=C1 ZINC001153625952 1380106746 /nfs/dbraw/zinc/10/67/46/1380106746.db2.gz QVQNONLLCYLSHN-CQSZACIVSA-N 1 2 339.277 3.020 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@H+](CC)Cc1coc(C2CC2)n1 ZINC001155072971 1380403201 /nfs/dbraw/zinc/40/32/01/1380403201.db2.gz QPEAJXWRJWHPJF-AUUYWEPGSA-N 1 2 333.476 3.481 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1coc(C2CC2)n1 ZINC001155072971 1380403202 /nfs/dbraw/zinc/40/32/02/1380403202.db2.gz QPEAJXWRJWHPJF-AUUYWEPGSA-N 1 2 333.476 3.481 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[N@H+](CC)Cc1csnc1OC ZINC001155073605 1380403264 /nfs/dbraw/zinc/40/32/64/1380403264.db2.gz ZGJIFAIUXHUKFT-DYVFJYSZSA-N 1 2 339.505 3.081 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1csnc1OC ZINC001155073605 1380403265 /nfs/dbraw/zinc/40/32/65/1380403265.db2.gz ZGJIFAIUXHUKFT-DYVFJYSZSA-N 1 2 339.505 3.081 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(F)ccc1C#N ZINC001155112068 1380411246 /nfs/dbraw/zinc/41/12/46/1380411246.db2.gz HTWJQKQZZLXRCH-SPYBWZPUSA-N 1 2 345.462 3.460 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(F)ccc1C#N ZINC001155112068 1380411247 /nfs/dbraw/zinc/41/12/47/1380411247.db2.gz HTWJQKQZZLXRCH-SPYBWZPUSA-N 1 2 345.462 3.460 20 30 EGEDLO C=CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@@H](C)c1nc(C2CC2)no1 ZINC001157661876 1380992631 /nfs/dbraw/zinc/99/26/31/1380992631.db2.gz MQPHYRHXNIXTEC-GOEBONIOSA-N 1 2 346.475 3.287 20 30 EGEDLO C=CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@@H](C)c1nc(C2CC2)no1 ZINC001157661876 1380992635 /nfs/dbraw/zinc/99/26/35/1380992635.db2.gz MQPHYRHXNIXTEC-GOEBONIOSA-N 1 2 346.475 3.287 20 30 EGEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@H](C)c1ncc(C)o1 ZINC001157884795 1381059947 /nfs/dbraw/zinc/05/99/47/1381059947.db2.gz IPTXKWQQHMNPTA-IAGOWNOFSA-N 1 2 331.460 3.160 20 30 EGEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@H](C)c1ncc(C)o1 ZINC001157884795 1381059954 /nfs/dbraw/zinc/05/99/54/1381059954.db2.gz IPTXKWQQHMNPTA-IAGOWNOFSA-N 1 2 331.460 3.160 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@H](C)c1ncccn1 ZINC001158005229 1381099542 /nfs/dbraw/zinc/09/95/42/1381099542.db2.gz JZNMSPTYENJVDI-IAGOWNOFSA-N 1 2 344.503 3.453 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@H](C)c1ncccn1 ZINC001158005229 1381099547 /nfs/dbraw/zinc/09/95/47/1381099547.db2.gz JZNMSPTYENJVDI-IAGOWNOFSA-N 1 2 344.503 3.453 20 30 EGEDLO Cn1cc(Br)c(CNc2[nH+]ccc3ccc(C#N)cc32)n1 ZINC001158484482 1381262557 /nfs/dbraw/zinc/26/25/57/1381262557.db2.gz RZGSDDSWZJXIFV-UHFFFAOYSA-N 1 2 342.200 3.215 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@H+](Cc2ncc(C)o2)CC1 ZINC001160856751 1382216899 /nfs/dbraw/zinc/21/68/99/1382216899.db2.gz OWWVQCJOWWTFHO-UHFFFAOYSA-N 1 2 331.460 3.224 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2ncc(C)o2)CC1 ZINC001160856751 1382216904 /nfs/dbraw/zinc/21/69/04/1382216904.db2.gz OWWVQCJOWWTFHO-UHFFFAOYSA-N 1 2 331.460 3.224 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2coc(C)n2)CC1 ZINC001160942030 1382245481 /nfs/dbraw/zinc/24/54/81/1382245481.db2.gz UZOATGRUDWIACO-CABCVRRESA-N 1 2 331.460 3.080 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2coc(C)n2)CC1 ZINC001160942030 1382245487 /nfs/dbraw/zinc/24/54/87/1382245487.db2.gz UZOATGRUDWIACO-CABCVRRESA-N 1 2 331.460 3.080 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCC1=CC[N@H+](Cc2coc(C)n2)CC1 ZINC001160942033 1382246186 /nfs/dbraw/zinc/24/61/86/1382246186.db2.gz UZOATGRUDWIACO-LSDHHAIUSA-N 1 2 331.460 3.080 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCC1=CC[N@@H+](Cc2coc(C)n2)CC1 ZINC001160942033 1382246189 /nfs/dbraw/zinc/24/61/89/1382246189.db2.gz UZOATGRUDWIACO-LSDHHAIUSA-N 1 2 331.460 3.080 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@H+](Cc2cscn2)CC1 ZINC001160967270 1382253958 /nfs/dbraw/zinc/25/39/58/1382253958.db2.gz DIXKFJYNBDLVKI-OAHLLOKOSA-N 1 2 333.501 3.384 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@@H+](Cc2cscn2)CC1 ZINC001160967270 1382253965 /nfs/dbraw/zinc/25/39/65/1382253965.db2.gz DIXKFJYNBDLVKI-OAHLLOKOSA-N 1 2 333.501 3.384 20 30 EGEDLO CCCCCCCCCCN(C)C(=O)[C@H]1CC[NH2+][C@H](C(=O)OC)C1 ZINC001161227142 1382349063 /nfs/dbraw/zinc/34/90/63/1382349063.db2.gz OYVJJKOECSTNLR-IRXDYDNUSA-N 1 2 340.508 3.127 20 30 EGEDLO N#Cc1ccc(-c2cccs2)nc1NC1CN(c2cccc[nH+]2)C1 ZINC001161322524 1382371357 /nfs/dbraw/zinc/37/13/57/1382371357.db2.gz IRUSDVCVDWLAIY-UHFFFAOYSA-N 1 2 333.420 3.377 20 30 EGEDLO CC1(C)CCCc2cc(C#N)c(NC3CN(c4cccc[nH+]4)C3)nc21 ZINC001161325503 1382371425 /nfs/dbraw/zinc/37/14/25/1382371425.db2.gz BOWCWBZFDMQNIE-UHFFFAOYSA-N 1 2 333.439 3.263 20 30 EGEDLO C=CCc1ccc(NC(=O)C(C)(C)C)c(NCCCn2cc[nH+]c2)n1 ZINC001161682273 1382478854 /nfs/dbraw/zinc/47/88/54/1382478854.db2.gz LRDISZGRQNITGT-UHFFFAOYSA-N 1 2 341.459 3.493 20 30 EGEDLO CC(C)(C)C(=O)NCCC1=CC[N@H+](Cc2cc(F)ccc2C#N)CC1 ZINC001161758558 1382496519 /nfs/dbraw/zinc/49/65/19/1382496519.db2.gz GPBHVCXYLUECLK-UHFFFAOYSA-N 1 2 343.446 3.382 20 30 EGEDLO CC(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2cc(F)ccc2C#N)CC1 ZINC001161758558 1382496522 /nfs/dbraw/zinc/49/65/22/1382496522.db2.gz GPBHVCXYLUECLK-UHFFFAOYSA-N 1 2 343.446 3.382 20 30 EGEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(N[C@@H](CO)CC(C)C)[nH+]1 ZINC001162369116 1382741346 /nfs/dbraw/zinc/74/13/46/1382741346.db2.gz SHMPGUVQPFYWAR-UNOBENHASA-N 1 2 339.505 3.090 20 30 EGEDLO N=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc(C(F)(F)F)cc1 ZINC001163680388 1383104668 /nfs/dbraw/zinc/10/46/68/1383104668.db2.gz QMDFJTZKRMLSAZ-UHFFFAOYSA-N 1 2 345.328 3.382 20 30 EGEDLO Cc1cccc2nc(Cl)c(C#N)c(N3CC[NH2+]CC(F)(F)C3)c12 ZINC001164502293 1383194210 /nfs/dbraw/zinc/19/42/10/1383194210.db2.gz NMRLSPBKVBEQCJ-UHFFFAOYSA-N 1 2 336.773 3.113 20 30 EGEDLO C=CCN1C(=O)CC[C@]12CCCN(c1cc(N)cc(Cl)[nH+]1)[C@H]2CC ZINC001165597351 1383314774 /nfs/dbraw/zinc/31/47/74/1383314774.db2.gz PKSWIOWIYNDCJX-KSSFIOAISA-N 1 2 348.878 3.243 20 30 EGEDLO C=CCOC(=O)[C@@H](Nc1ccc(Cn2cc[nH+]c2)cc1)[C@@H](C)CC ZINC001167957319 1383778659 /nfs/dbraw/zinc/77/86/59/1383778659.db2.gz HIMPADGPXQIPSQ-YJBOKZPZSA-N 1 2 327.428 3.487 20 30 EGEDLO C[NH+](C)Cc1nc(CSCCNc2cccc(CC#N)n2)cs1 ZINC001168108389 1383818392 /nfs/dbraw/zinc/81/83/92/1383818392.db2.gz LFIYWMOWIRVFAU-UHFFFAOYSA-N 1 2 347.513 3.011 20 30 EGEDLO Cc1ccc(C#N)nc1NCCSCc1csc(C[NH+](C)C)n1 ZINC001168109812 1383819312 /nfs/dbraw/zinc/81/93/12/1383819312.db2.gz WGQNBJZPCGNUBH-UHFFFAOYSA-N 1 2 347.513 3.125 20 30 EGEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(N[C@@H](CO)C(C)(C)C)[nH+]1 ZINC001168554605 1383935801 /nfs/dbraw/zinc/93/58/01/1383935801.db2.gz VEGJASXPTIDMOQ-BYBUVPTISA-N 1 2 339.505 3.090 20 30 EGEDLO N#Cc1ccc(CCNc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC001307163978 1383948469 /nfs/dbraw/zinc/94/84/69/1383948469.db2.gz JDLXWXKNGRRYER-UHFFFAOYSA-N 1 2 340.390 3.342 20 30 EGEDLO Cn1cc(-c2ccc(C[NH+]3CC(Oc4ccc(C#N)cc4)C3)cc2)cn1 ZINC001308810557 1384151552 /nfs/dbraw/zinc/15/15/52/1384151552.db2.gz UYAKGCJPGLNQGG-UHFFFAOYSA-N 1 2 344.418 3.222 20 30 EGEDLO N#Cc1ccccc1OC1C[NH+]([C@@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170718176 1384373269 /nfs/dbraw/zinc/37/32/69/1384373269.db2.gz YQZQSZVVOMRMRC-MRXNPFEDSA-N 1 2 340.373 3.457 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC001316974457 1384735242 /nfs/dbraw/zinc/73/52/42/1384735242.db2.gz RHNCPHHOCPGXCH-INIZCTEOSA-N 1 2 343.402 3.137 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC001316974457 1384735243 /nfs/dbraw/zinc/73/52/43/1384735243.db2.gz RHNCPHHOCPGXCH-INIZCTEOSA-N 1 2 343.402 3.137 20 30 EGEDLO C[C@H](C#N)[N@H+](C)[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172535465 1384809391 /nfs/dbraw/zinc/80/93/91/1384809391.db2.gz JZCLDJDQBHDJOD-BVBHFADKSA-N 1 2 325.456 3.161 20 30 EGEDLO C[C@H](C#N)[N@@H+](C)[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172535465 1384809394 /nfs/dbraw/zinc/80/93/94/1384809394.db2.gz JZCLDJDQBHDJOD-BVBHFADKSA-N 1 2 325.456 3.161 20 30 EGEDLO CCCCCCCCC[C@@H](CCC)[NH2+][C@H](CC(N)=O)C(=O)OC ZINC001173284783 1384952015 /nfs/dbraw/zinc/95/20/15/1384952015.db2.gz JRMVYGMQTURDNA-HZPDHXFCSA-N 1 2 328.497 3.302 20 30 EGEDLO Cc1c(Cl)c(C#N)ccc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174979484 1385178481 /nfs/dbraw/zinc/17/84/81/1385178481.db2.gz LVNWSBOCNJRZIB-UHFFFAOYSA-N 1 2 328.803 3.495 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc(C)n([C@@H](C)CC)n1)C1CC1 ZINC001317553496 1385315908 /nfs/dbraw/zinc/31/59/08/1385315908.db2.gz MALLEVCLZPQYGH-ZDUSSCGKSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc(C)n([C@@H](C)CC)n1)C1CC1 ZINC001317553496 1385315912 /nfs/dbraw/zinc/31/59/12/1385315912.db2.gz MALLEVCLZPQYGH-ZDUSSCGKSA-N 1 2 338.883 3.109 20 30 EGEDLO CCOC(=O)[C@@H]1CCCc2sc(NC3=CCC[N@H+](C)C3)c(C#N)c21 ZINC001175574227 1385336806 /nfs/dbraw/zinc/33/68/06/1385336806.db2.gz RBKJNAVIHTZDRD-CYBMUJFWSA-N 1 2 345.468 3.234 20 30 EGEDLO CCOC(=O)[C@@H]1CCCc2sc(NC3=CCC[N@@H+](C)C3)c(C#N)c21 ZINC001175574227 1385336808 /nfs/dbraw/zinc/33/68/08/1385336808.db2.gz RBKJNAVIHTZDRD-CYBMUJFWSA-N 1 2 345.468 3.234 20 30 EGEDLO CCOC(=O)[C@@H]1CCCc2sc(N=C3CCC[N@H+](C)C3)c(C#N)c21 ZINC001175574227 1385336816 /nfs/dbraw/zinc/33/68/16/1385336816.db2.gz RBKJNAVIHTZDRD-CYBMUJFWSA-N 1 2 345.468 3.234 20 30 EGEDLO CCOC(=O)[C@@H]1CCCc2sc(N=C3CCC[N@@H+](C)C3)c(C#N)c21 ZINC001175574227 1385336822 /nfs/dbraw/zinc/33/68/22/1385336822.db2.gz RBKJNAVIHTZDRD-CYBMUJFWSA-N 1 2 345.468 3.234 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CCC)C(=O)C2CCCC2)C1 ZINC001317750842 1385438997 /nfs/dbraw/zinc/43/89/97/1385438997.db2.gz SZQPCMOGTRYFNV-OAHLLOKOSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CCC)C(=O)C2CCCC2)C1 ZINC001317750842 1385438998 /nfs/dbraw/zinc/43/89/98/1385438998.db2.gz SZQPCMOGTRYFNV-OAHLLOKOSA-N 1 2 343.309 3.398 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@@H+](Cc3cc(C)sc3C)[C@H]2C1 ZINC001176954969 1385753506 /nfs/dbraw/zinc/75/35/06/1385753506.db2.gz LDWLDCHMMYHQED-ROUUACIJSA-N 1 2 348.512 3.133 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@H+](Cc3cc(C)sc3C)[C@H]2C1 ZINC001176954969 1385753514 /nfs/dbraw/zinc/75/35/14/1385753514.db2.gz LDWLDCHMMYHQED-ROUUACIJSA-N 1 2 348.512 3.133 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]3OCC[N@@H+](CC(=C)C)[C@H]3C2)CCCCC1 ZINC001177150969 1385835193 /nfs/dbraw/zinc/83/51/93/1385835193.db2.gz RSFZGHUUJLOBBH-OALUTQOASA-N 1 2 346.515 3.391 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]3OCC[N@H+](CC(=C)C)[C@H]3C2)CCCCC1 ZINC001177150969 1385835196 /nfs/dbraw/zinc/83/51/96/1385835196.db2.gz RSFZGHUUJLOBBH-OALUTQOASA-N 1 2 346.515 3.391 20 30 EGEDLO N#CCCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178104662 1386129406 /nfs/dbraw/zinc/12/94/06/1386129406.db2.gz AKDFVWNECXQCEF-OAHLLOKOSA-N 1 2 342.830 3.041 20 30 EGEDLO C#CC[N@H+](CC1CC1)Cn1ccn(-c2ccc(OC)cc2)c1=S ZINC001319563432 1386182381 /nfs/dbraw/zinc/18/23/81/1386182381.db2.gz QYGVSQUZVZAASF-UHFFFAOYSA-N 1 2 327.453 3.320 20 30 EGEDLO C#CC[N@@H+](CC1CC1)Cn1ccn(-c2ccc(OC)cc2)c1=S ZINC001319563432 1386182384 /nfs/dbraw/zinc/18/23/84/1386182384.db2.gz QYGVSQUZVZAASF-UHFFFAOYSA-N 1 2 327.453 3.320 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)CC1CCCC1 ZINC001319969431 1386427228 /nfs/dbraw/zinc/42/72/28/1386427228.db2.gz GDFABVYOXJXMST-UHFFFAOYSA-N 1 2 331.435 3.168 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)CC1CCCC1 ZINC001319969431 1386427232 /nfs/dbraw/zinc/42/72/32/1386427232.db2.gz GDFABVYOXJXMST-UHFFFAOYSA-N 1 2 331.435 3.168 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCc1c[nH]c2ccccc12 ZINC001320078726 1386495973 /nfs/dbraw/zinc/49/59/73/1386495973.db2.gz JZNPBGPMWPAUIX-UHFFFAOYSA-N 1 2 333.863 3.243 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCc1c[nH]c2ccccc12 ZINC001320078726 1386495979 /nfs/dbraw/zinc/49/59/79/1386495979.db2.gz JZNPBGPMWPAUIX-UHFFFAOYSA-N 1 2 333.863 3.243 20 30 EGEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC001322044805 1387038627 /nfs/dbraw/zinc/03/86/27/1387038627.db2.gz UOFWOIMIHPEMKR-GFCCVEGCSA-N 1 2 338.436 3.183 20 30 EGEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC001322044805 1387038631 /nfs/dbraw/zinc/03/86/31/1387038631.db2.gz UOFWOIMIHPEMKR-GFCCVEGCSA-N 1 2 338.436 3.183 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)COc1cccc(C(C)C)c1 ZINC001322161841 1387084039 /nfs/dbraw/zinc/08/40/39/1387084039.db2.gz WCFZQCDWSSJKQO-OAHLLOKOSA-N 1 2 338.879 3.378 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)COc1cccc(C(C)C)c1 ZINC001322161841 1387084042 /nfs/dbraw/zinc/08/40/42/1387084042.db2.gz WCFZQCDWSSJKQO-OAHLLOKOSA-N 1 2 338.879 3.378 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1cccc(C(F)F)c1 ZINC001322206934 1387102412 /nfs/dbraw/zinc/10/24/12/1387102412.db2.gz XBPQGRAMNNJTLL-GFCCVEGCSA-N 1 2 330.806 3.356 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1cccc(C(F)F)c1 ZINC001322206934 1387102413 /nfs/dbraw/zinc/10/24/13/1387102413.db2.gz XBPQGRAMNNJTLL-GFCCVEGCSA-N 1 2 330.806 3.356 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2ccc(C)cc2Cl)C1 ZINC001330020180 1389286426 /nfs/dbraw/zinc/28/64/26/1389286426.db2.gz HCLQDMKVWSZENG-ZDUSSCGKSA-N 1 2 341.282 3.380 20 30 EGEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)s1 ZINC001337376385 1389322457 /nfs/dbraw/zinc/32/24/57/1389322457.db2.gz GYYASTICQLHVAZ-AWEZNQCLSA-N 1 2 331.828 3.060 20 30 EGEDLO Cn1c[nH+]cc1C1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC001339376079 1390011789 /nfs/dbraw/zinc/01/17/89/1390011789.db2.gz SCXRBWGOLPAMPB-GOSISDBHSA-N 1 2 336.439 3.214 20 30 EGEDLO C=CC[C@H]1N(c2nnc(Cc3[nH+]ccn3C)n2CC)CCCC1(C)C ZINC001339392858 1390016466 /nfs/dbraw/zinc/01/64/66/1390016466.db2.gz YORFOBVDCBWNAC-OAHLLOKOSA-N 1 2 342.491 3.193 20 30 EGEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCCCCC1 ZINC001342246723 1390591062 /nfs/dbraw/zinc/59/10/62/1390591062.db2.gz CZZYNOKBKSAVJF-QGZVFWFLSA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCCCCC1 ZINC001342246723 1390591064 /nfs/dbraw/zinc/59/10/64/1390591064.db2.gz CZZYNOKBKSAVJF-QGZVFWFLSA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCCC[C@@H](SC)C1 ZINC001343457734 1390715257 /nfs/dbraw/zinc/71/52/57/1390715257.db2.gz QUWQTNIWYYFUOJ-HZPDHXFCSA-N 1 2 349.548 3.343 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCCC[C@@H](SC)C1 ZINC001343457734 1390715258 /nfs/dbraw/zinc/71/52/58/1390715258.db2.gz QUWQTNIWYYFUOJ-HZPDHXFCSA-N 1 2 349.548 3.343 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2cccc3ccoc32)[C@@H](C#N)C1 ZINC001344070629 1390753567 /nfs/dbraw/zinc/75/35/67/1390753567.db2.gz VLVSYLHLVBQLLI-HOTGVXAUSA-N 1 2 341.411 3.281 20 30 EGEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 ZINC001345994693 1390899356 /nfs/dbraw/zinc/89/93/56/1390899356.db2.gz UOQHDZHTIMXOQL-HZPDHXFCSA-N 1 2 342.491 3.193 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC(F)(F)C[C@@H]1C ZINC001346187785 1390914015 /nfs/dbraw/zinc/91/40/15/1390914015.db2.gz HMEXSOSXNMUABI-UONOGXRCSA-N 1 2 339.434 3.245 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC(F)(F)C[C@@H]1C ZINC001346187785 1390914016 /nfs/dbraw/zinc/91/40/16/1390914016.db2.gz HMEXSOSXNMUABI-UONOGXRCSA-N 1 2 339.434 3.245 20 30 EGEDLO N#Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cs1 ZINC001347812488 1391128218 /nfs/dbraw/zinc/12/82/18/1391128218.db2.gz CTALOMFKOHHXKW-UHFFFAOYSA-N 1 2 340.452 3.325 20 30 EGEDLO C=CCN(C)c1nnc([C@@H]2CCCC[N@@H+]2C)n1Cc1cccs1 ZINC001348513309 1391231173 /nfs/dbraw/zinc/23/11/73/1391231173.db2.gz MALGQYWFFUXFPZ-HNNXBMFYSA-N 1 2 331.489 3.167 20 30 EGEDLO C=CCN(C)c1nnc([C@@H]2CCCC[N@H+]2C)n1Cc1cccs1 ZINC001348513309 1391231174 /nfs/dbraw/zinc/23/11/74/1391231174.db2.gz MALGQYWFFUXFPZ-HNNXBMFYSA-N 1 2 331.489 3.167 20 30 EGEDLO CCn1c[nH+]c2c1CCN(c1ccc(C#N)c(Br)c1)C2 ZINC001354278734 1392135305 /nfs/dbraw/zinc/13/53/05/1392135305.db2.gz VDHPPYWAEBECHL-UHFFFAOYSA-N 1 2 331.217 3.100 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCCC2CC2)C1 ZINC001480732089 1392894485 /nfs/dbraw/zinc/89/44/85/1392894485.db2.gz ADVHGPHGNQLIHA-OAHLLOKOSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)CCCC2CC2)C1 ZINC001480732089 1392894488 /nfs/dbraw/zinc/89/44/88/1392894488.db2.gz ADVHGPHGNQLIHA-OAHLLOKOSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H]1CCc2ccc(OC)cc21)C1CC1 ZINC001481174214 1393141458 /nfs/dbraw/zinc/14/14/58/1393141458.db2.gz UNJOLVJPMDPXLX-KRWDZBQOSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H]1CCc2ccc(OC)cc21)C1CC1 ZINC001481174214 1393141460 /nfs/dbraw/zinc/14/14/60/1393141460.db2.gz UNJOLVJPMDPXLX-KRWDZBQOSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)COc1cc(C)ccc1C)C1CC1 ZINC001481196383 1393147948 /nfs/dbraw/zinc/14/79/48/1393147948.db2.gz CTPLAMUWKLAQGE-UHFFFAOYSA-N 1 2 336.863 3.015 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)COc1cc(C)ccc1C)C1CC1 ZINC001481196383 1393147950 /nfs/dbraw/zinc/14/79/50/1393147950.db2.gz CTPLAMUWKLAQGE-UHFFFAOYSA-N 1 2 336.863 3.015 20 30 EGEDLO C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)c1cc(C)cc2c[nH]nc21 ZINC001482396466 1394958221 /nfs/dbraw/zinc/95/82/21/1394958221.db2.gz UDXDWAZJEOBYHX-OAHLLOKOSA-N 1 2 348.878 3.358 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2coc3ccccc23)C1 ZINC001485531259 1396000732 /nfs/dbraw/zinc/00/07/32/1396000732.db2.gz WVAUVNAULHMFEQ-CYBMUJFWSA-N 1 2 332.831 3.164 20 30 EGEDLO CCC(CC)[C@@H](C)C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001494568669 1396471370 /nfs/dbraw/zinc/47/13/70/1396471370.db2.gz SPEASFQSRIJHKB-OAHLLOKOSA-N 1 2 327.472 3.179 20 30 EGEDLO CCCC(CCC)C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001494584978 1396477196 /nfs/dbraw/zinc/47/71/96/1396477196.db2.gz KTLKEIGOCKTJBT-UHFFFAOYSA-N 1 2 345.462 3.462 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc(Cl)c(Cl)n1C ZINC001496714535 1396722734 /nfs/dbraw/zinc/72/27/34/1396722734.db2.gz LGCOOADOLFMSHX-UHFFFAOYSA-N 1 2 338.666 3.088 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc(Cl)c(Cl)n1C ZINC001496714535 1396722736 /nfs/dbraw/zinc/72/27/36/1396722736.db2.gz LGCOOADOLFMSHX-UHFFFAOYSA-N 1 2 338.666 3.088 20 30 EGEDLO Cc1ccc(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)cc1Cl ZINC001690973605 1404882506 /nfs/dbraw/zinc/88/25/06/1404882506.db2.gz NBIAWQYCJWOIJP-UHFFFAOYSA-N 1 2 341.842 3.382 20 30 EGEDLO Cc1ccc(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)cc1Cl ZINC001690973605 1404882509 /nfs/dbraw/zinc/88/25/09/1404882509.db2.gz NBIAWQYCJWOIJP-UHFFFAOYSA-N 1 2 341.842 3.382 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccc2nc(C)ccc2c1)C1CC1 ZINC001691230991 1405170666 /nfs/dbraw/zinc/17/06/66/1405170666.db2.gz YLHUHVSFAUHMIK-UHFFFAOYSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccc2nc(C)ccc2c1)C1CC1 ZINC001691230991 1405170667 /nfs/dbraw/zinc/17/06/67/1405170667.db2.gz YLHUHVSFAUHMIK-UHFFFAOYSA-N 1 2 343.858 3.490 20 30 EGEDLO CC(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001732022970 1428240708 /nfs/dbraw/zinc/24/07/08/1428240708.db2.gz AKLROTNCTFFQHC-GASCZTMLSA-N 1 2 331.485 3.231 20 30 EGEDLO CC(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001732022970 1428240712 /nfs/dbraw/zinc/24/07/12/1428240712.db2.gz AKLROTNCTFFQHC-GASCZTMLSA-N 1 2 331.485 3.231 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2ccnn2C(C)C)C1 ZINC001732038001 1428260799 /nfs/dbraw/zinc/26/07/99/1428260799.db2.gz AVDCJADUIHMQEO-OAHLLOKOSA-N 1 2 338.883 3.143 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccnn2C(C)C)C1 ZINC001732038001 1428260801 /nfs/dbraw/zinc/26/08/01/1428260801.db2.gz AVDCJADUIHMQEO-OAHLLOKOSA-N 1 2 338.883 3.143 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2c[nH]c3ccc(F)cc23)C1 ZINC001700547102 1414216057 /nfs/dbraw/zinc/21/60/57/1414216057.db2.gz UYZIFUNXTKTUKI-LBPRGKRZSA-N 1 2 349.837 3.039 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)CCC1(C)CC1 ZINC001732594291 1428825433 /nfs/dbraw/zinc/82/54/33/1428825433.db2.gz GNWIKGVUPSLXLI-UHFFFAOYSA-N 1 2 331.435 3.168 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)CCC1(C)CC1 ZINC001732594291 1428825441 /nfs/dbraw/zinc/82/54/41/1428825441.db2.gz GNWIKGVUPSLXLI-UHFFFAOYSA-N 1 2 331.435 3.168 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)C1(C)CCCC1 ZINC001707046216 1417158307 /nfs/dbraw/zinc/15/83/07/1417158307.db2.gz FHXJZPMMJTWRNT-QGZVFWFLSA-N 1 2 343.446 3.310 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)C1(C)CCCC1 ZINC001707046216 1417158308 /nfs/dbraw/zinc/15/83/08/1417158308.db2.gz FHXJZPMMJTWRNT-QGZVFWFLSA-N 1 2 343.446 3.310 20 30 EGEDLO C[C@H](C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F)c1ccccc1 ZINC001713472701 1418145034 /nfs/dbraw/zinc/14/50/34/1418145034.db2.gz FGGDWKIZYOUENO-HNNXBMFYSA-N 1 2 339.414 3.049 20 30 EGEDLO C[C@H](C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F)c1ccccc1 ZINC001713472701 1418145036 /nfs/dbraw/zinc/14/50/36/1418145036.db2.gz FGGDWKIZYOUENO-HNNXBMFYSA-N 1 2 339.414 3.049 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)C[C@H]1CCc2ccccc21)C1CC1 ZINC001714673203 1419463809 /nfs/dbraw/zinc/46/38/09/1419463809.db2.gz PBPCVVKDTSSVKE-MRXNPFEDSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)C[C@H]1CCc2ccccc21)C1CC1 ZINC001714673203 1419463811 /nfs/dbraw/zinc/46/38/11/1419463811.db2.gz PBPCVVKDTSSVKE-MRXNPFEDSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cnc(C(C)(C)C)s1 ZINC001715540572 1420238674 /nfs/dbraw/zinc/23/86/74/1420238674.db2.gz YFRWWZPUWBDKEO-UHFFFAOYSA-N 1 2 329.897 3.197 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cnc(C(C)(C)C)s1 ZINC001715540572 1420238675 /nfs/dbraw/zinc/23/86/75/1420238675.db2.gz YFRWWZPUWBDKEO-UHFFFAOYSA-N 1 2 329.897 3.197 20 30 EGEDLO CCC(=O)NC[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(C#N)s1 ZINC001717343467 1421281533 /nfs/dbraw/zinc/28/15/33/1421281533.db2.gz PSPAUOIVISIRRV-GOSISDBHSA-N 1 2 339.464 3.245 20 30 EGEDLO CCC(=O)NC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001717343467 1421281535 /nfs/dbraw/zinc/28/15/35/1421281535.db2.gz PSPAUOIVISIRRV-GOSISDBHSA-N 1 2 339.464 3.245 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnn(C2CCCC2)c1C ZINC001722904045 1424227856 /nfs/dbraw/zinc/22/78/56/1424227856.db2.gz DJQSJPWTMSKJAJ-CYBMUJFWSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cnn(C2CCCC2)c1C ZINC001722904045 1424227860 /nfs/dbraw/zinc/22/78/60/1424227860.db2.gz DJQSJPWTMSKJAJ-CYBMUJFWSA-N 1 2 338.883 3.109 20 30 EGEDLO CCC(CC)CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001723472576 1424427415 /nfs/dbraw/zinc/42/74/15/1424427415.db2.gz YRNAYIFUKISEFV-GOSISDBHSA-N 1 2 343.471 3.084 20 30 EGEDLO CCC(CC)CC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001723472576 1424427421 /nfs/dbraw/zinc/42/74/21/1424427421.db2.gz YRNAYIFUKISEFV-GOSISDBHSA-N 1 2 343.471 3.084 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CC2(C)CC2)C[C@H]1C ZINC001733900225 1437717638 /nfs/dbraw/zinc/71/76/38/1437717638.db2.gz OHOYLZJAMJREPQ-OLZOCXBDSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CC2(C)CC2)C[C@H]1C ZINC001733900225 1437717639 /nfs/dbraw/zinc/71/76/39/1437717639.db2.gz OHOYLZJAMJREPQ-OLZOCXBDSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C1CCC(C(=O)NCCC[N@@H+](C)Cc2ncc(C3CC3)o2)CC1 ZINC001752055589 1440136457 /nfs/dbraw/zinc/13/64/57/1440136457.db2.gz CNJZVZXWZZDHST-UHFFFAOYSA-N 1 2 331.460 3.237 20 30 EGEDLO C=C1CCC(C(=O)NCCC[N@H+](C)Cc2ncc(C3CC3)o2)CC1 ZINC001752055589 1440136458 /nfs/dbraw/zinc/13/64/58/1440136458.db2.gz CNJZVZXWZZDHST-UHFFFAOYSA-N 1 2 331.460 3.237 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[C@@H]2C[N@H+](C/C(Cl)=C\Cl)CC[C@@H]21 ZINC001752705580 1440202302 /nfs/dbraw/zinc/20/23/02/1440202302.db2.gz LPIZUGRZSMYCDY-AMKQFNALSA-N 1 2 343.298 3.278 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[C@@H]2C[N@@H+](C/C(Cl)=C\Cl)CC[C@@H]21 ZINC001752705580 1440202303 /nfs/dbraw/zinc/20/23/03/1440202303.db2.gz LPIZUGRZSMYCDY-AMKQFNALSA-N 1 2 343.298 3.278 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2noc(C3CCCCC3)n2)C1 ZINC001752731741 1440204075 /nfs/dbraw/zinc/20/40/75/1440204075.db2.gz RMPNCWLETRVJLX-IYBDPMFKSA-N 1 2 346.475 3.210 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)[C@H](C)c2nnc(CC)o2)C1 ZINC001752999140 1440263590 /nfs/dbraw/zinc/26/35/90/1440263590.db2.gz TYZJTDWVZOMHCB-HUUCEWRRSA-N 1 2 348.491 3.218 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)[C@H](C)c2nnc(CC)o2)C1 ZINC001752999140 1440263591 /nfs/dbraw/zinc/26/35/91/1440263591.db2.gz TYZJTDWVZOMHCB-HUUCEWRRSA-N 1 2 348.491 3.218 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1nc2c(o1)CCCC2 ZINC001753108386 1440307266 /nfs/dbraw/zinc/30/72/66/1440307266.db2.gz LJVZZLPQPXZBEL-HNNXBMFYSA-N 1 2 345.487 3.236 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[N@H+]1Cc1nc2c(o1)CCCC2 ZINC001753108386 1440307267 /nfs/dbraw/zinc/30/72/67/1440307267.db2.gz LJVZZLPQPXZBEL-HNNXBMFYSA-N 1 2 345.487 3.236 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ncoc1C(C)C ZINC001753114634 1440310638 /nfs/dbraw/zinc/31/06/38/1440310638.db2.gz XZIHCZNMQGCYMP-HNNXBMFYSA-N 1 2 333.476 3.481 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ncoc1C(C)C ZINC001753114634 1440310639 /nfs/dbraw/zinc/31/06/39/1440310639.db2.gz XZIHCZNMQGCYMP-HNNXBMFYSA-N 1 2 333.476 3.481 20 30 EGEDLO C#CCCCC(=O)NCC[N@H+](Cc1nsc2ccccc21)C1CC1 ZINC001753152769 1440329049 /nfs/dbraw/zinc/32/90/49/1440329049.db2.gz HPVVTGBXPHPIQT-UHFFFAOYSA-N 1 2 341.480 3.180 20 30 EGEDLO C#CCCCC(=O)NCC[N@@H+](Cc1nsc2ccccc21)C1CC1 ZINC001753152769 1440329050 /nfs/dbraw/zinc/32/90/50/1440329050.db2.gz HPVVTGBXPHPIQT-UHFFFAOYSA-N 1 2 341.480 3.180 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc(F)cc(Cl)c1)C1CC1 ZINC001753160668 1440333646 /nfs/dbraw/zinc/33/36/46/1440333646.db2.gz XBNZCIXLEZGOAX-UHFFFAOYSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc(F)cc(Cl)c1)C1CC1 ZINC001753160668 1440333647 /nfs/dbraw/zinc/33/36/47/1440333647.db2.gz XBNZCIXLEZGOAX-UHFFFAOYSA-N 1 2 331.218 3.426 20 30 EGEDLO C=CCCC(=O)N(C)[C@H]1CC[N@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC001753434478 1440399394 /nfs/dbraw/zinc/39/93/94/1440399394.db2.gz WMWVAJMEYHZMOJ-AWEZNQCLSA-N 1 2 335.517 3.440 20 30 EGEDLO C=CCCC(=O)N(C)[C@H]1CC[N@@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC001753434478 1440399395 /nfs/dbraw/zinc/39/93/95/1440399395.db2.gz WMWVAJMEYHZMOJ-AWEZNQCLSA-N 1 2 335.517 3.440 20 30 EGEDLO C=CCC1(C(=O)N(C)[C@H]2CC[N@@H+]([C@@H](C)c3ncccn3)C2)CCCC1 ZINC001753450782 1440405992 /nfs/dbraw/zinc/40/59/92/1440405992.db2.gz UBGSKWQUWQIJFQ-IRXDYDNUSA-N 1 2 342.487 3.207 20 30 EGEDLO C=CCC1(C(=O)N(C)[C@H]2CC[N@H+]([C@@H](C)c3ncccn3)C2)CCCC1 ZINC001753450782 1440405993 /nfs/dbraw/zinc/40/59/93/1440405993.db2.gz UBGSKWQUWQIJFQ-IRXDYDNUSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H](CC)[NH2+][C@@H](C)c2nc(C(C)C)no2)CC1 ZINC001753490035 1440419265 /nfs/dbraw/zinc/41/92/65/1440419265.db2.gz ORCDKMIITVXIIL-GOEBONIOSA-N 1 2 348.491 3.485 20 30 EGEDLO C=CCC1(C(=O)NC[C@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)CCC1 ZINC001753652852 1440456715 /nfs/dbraw/zinc/45/67/15/1440456715.db2.gz PDVFTTJEQQXSMI-IBGZPJMESA-N 1 2 342.483 3.058 20 30 EGEDLO C=CCC1(C(=O)NC[C@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)CCC1 ZINC001753652852 1440456716 /nfs/dbraw/zinc/45/67/16/1440456716.db2.gz PDVFTTJEQQXSMI-IBGZPJMESA-N 1 2 342.483 3.058 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N(C)[C@H](C)C[NH2+][C@@H](C)c1nc(C(C)C)no1 ZINC001753707178 1440469766 /nfs/dbraw/zinc/46/97/66/1440469766.db2.gz LKQGCFTWSDIUIV-KGLIPLIRSA-N 1 2 336.480 3.293 20 30 EGEDLO C=CCC1(C(=O)NC/C=C\C[NH2+]Cc2cc(C(C)(C)C)on2)CCC1 ZINC001754166916 1440546671 /nfs/dbraw/zinc/54/66/71/1440546671.db2.gz TXFDYEGDEYTCKN-SREVYHEPSA-N 1 2 345.487 3.481 20 30 EGEDLO C=CCC1(C(=O)NC/C=C\C[NH2+][C@H](C)c2nnc(C)o2)CCCCC1 ZINC001754209312 1440551057 /nfs/dbraw/zinc/55/10/57/1440551057.db2.gz GPHGBYWTSBTAOE-WHLNPGIBSA-N 1 2 346.475 3.228 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc2nc(C)sc2c1 ZINC001754331263 1440583950 /nfs/dbraw/zinc/58/39/50/1440583950.db2.gz RWWGSRCPLPXCCB-LLVKDONJSA-N 1 2 337.876 3.407 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc2nc(C)sc2c1 ZINC001754331263 1440583951 /nfs/dbraw/zinc/58/39/51/1440583951.db2.gz RWWGSRCPLPXCCB-LLVKDONJSA-N 1 2 337.876 3.407 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C1(c2ccccc2F)CCC1 ZINC001754331914 1440584356 /nfs/dbraw/zinc/58/43/56/1440584356.db2.gz YNLJRJKDLZDIGS-CQSZACIVSA-N 1 2 338.854 3.436 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C1(c2ccccc2F)CCC1 ZINC001754331914 1440584357 /nfs/dbraw/zinc/58/43/57/1440584357.db2.gz YNLJRJKDLZDIGS-CQSZACIVSA-N 1 2 338.854 3.436 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C1(c2ccccc2F)CCC1 ZINC001754331913 1440584537 /nfs/dbraw/zinc/58/45/37/1440584537.db2.gz YNLJRJKDLZDIGS-AWEZNQCLSA-N 1 2 338.854 3.436 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C1(c2ccccc2F)CCC1 ZINC001754331913 1440584538 /nfs/dbraw/zinc/58/45/38/1440584538.db2.gz YNLJRJKDLZDIGS-AWEZNQCLSA-N 1 2 338.854 3.436 20 30 EGEDLO C=CCCCCC[N@@H+]1CC[C@H]1CNC(=O)c1n[nH]c2ccccc21 ZINC001754499656 1440613376 /nfs/dbraw/zinc/61/33/76/1440613376.db2.gz CGSZGFZPKYNIMO-HNNXBMFYSA-N 1 2 326.444 3.113 20 30 EGEDLO C=CCCCCC[N@H+]1CC[C@H]1CNC(=O)c1n[nH]c2ccccc21 ZINC001754499656 1440613377 /nfs/dbraw/zinc/61/33/77/1440613377.db2.gz CGSZGFZPKYNIMO-HNNXBMFYSA-N 1 2 326.444 3.113 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N(C)C1C[NH+](Cc2ccc(C)c(OC)c2)C1 ZINC001754581283 1440638569 /nfs/dbraw/zinc/63/85/69/1440638569.db2.gz XMMAVSTUSVWJIG-HXUWFJFHSA-N 1 2 330.472 3.249 20 30 EGEDLO C#CCN(C(=O)CC(C)(C)CC)C1CC[NH+](Cc2coc(C)n2)CC1 ZINC001754637757 1440648779 /nfs/dbraw/zinc/64/87/79/1440648779.db2.gz WYEUYRBCRLOKDO-UHFFFAOYSA-N 1 2 345.487 3.236 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H](C)Cc2cccc(F)c2)C1 ZINC001754685682 1440664815 /nfs/dbraw/zinc/66/48/15/1440664815.db2.gz PUBZKUYQSXXFGJ-FZKQIMNGSA-N 1 2 338.854 3.337 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)Cc2cccc(F)c2)C1 ZINC001754685682 1440664816 /nfs/dbraw/zinc/66/48/16/1440664816.db2.gz PUBZKUYQSXXFGJ-FZKQIMNGSA-N 1 2 338.854 3.337 20 30 EGEDLO CC(C)=CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C#N)CCC1(F)F ZINC001754741373 1440683231 /nfs/dbraw/zinc/68/32/31/1440683231.db2.gz GFQYQJUNMLNOSX-QGZVFWFLSA-N 1 2 347.409 3.098 20 30 EGEDLO CC(C)=CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C#N)CCC1(F)F ZINC001754741373 1440683232 /nfs/dbraw/zinc/68/32/32/1440683232.db2.gz GFQYQJUNMLNOSX-QGZVFWFLSA-N 1 2 347.409 3.098 20 30 EGEDLO CC[C@H](C)CCC(=O)NCc1ccc2c(c1)C[N@@H+](CC#CCOC)C2 ZINC001755101623 1440752938 /nfs/dbraw/zinc/75/29/38/1440752938.db2.gz UTYNAMVYPNEBKS-KRWDZBQOSA-N 1 2 342.483 3.095 20 30 EGEDLO CC[C@H](C)CCC(=O)NCc1ccc2c(c1)C[N@H+](CC#CCOC)C2 ZINC001755101623 1440752939 /nfs/dbraw/zinc/75/29/39/1440752939.db2.gz UTYNAMVYPNEBKS-KRWDZBQOSA-N 1 2 342.483 3.095 20 30 EGEDLO C=C/C(C)=C/CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(=C)Br ZINC001755197843 1440777829 /nfs/dbraw/zinc/77/78/29/1440777829.db2.gz OHCYZOFBBYLZHQ-XETPBLJFSA-N 1 2 341.293 3.340 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H]1C[N@@H+](C)[C@H](C)c1nnc(CC(C)C)o1 ZINC001755188648 1440774175 /nfs/dbraw/zinc/77/41/75/1440774175.db2.gz IGPPSHQCNNNYRG-CVEARBPZSA-N 1 2 348.491 3.218 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H]1C[N@H+](C)[C@H](C)c1nnc(CC(C)C)o1 ZINC001755188648 1440774176 /nfs/dbraw/zinc/77/41/76/1440774176.db2.gz IGPPSHQCNNNYRG-CVEARBPZSA-N 1 2 348.491 3.218 20 30 EGEDLO C=C/C(C)=C/CC(=O)N1CCC[C@@H]1C[N@H+](C)CC(=C)Br ZINC001755197843 1440777830 /nfs/dbraw/zinc/77/78/30/1440777830.db2.gz OHCYZOFBBYLZHQ-XETPBLJFSA-N 1 2 341.293 3.340 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)/C=C(/C)C1CC1 ZINC001755190655 1440774694 /nfs/dbraw/zinc/77/46/94/1440774694.db2.gz WHSLPPUSEQNBIZ-LMRWQKIVSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)/C=C(/C)C1CC1 ZINC001755190655 1440774695 /nfs/dbraw/zinc/77/46/95/1440774695.db2.gz WHSLPPUSEQNBIZ-LMRWQKIVSA-N 1 2 341.293 3.174 20 30 EGEDLO C=CCC1(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2nnc(C3CC3)o2)CCCC1 ZINC001755271239 1440797741 /nfs/dbraw/zinc/79/77/41/1440797741.db2.gz ZIQCQIZCOLBJFW-ZIAGYGMSSA-N 1 2 346.475 3.066 20 30 EGEDLO C=CCC[C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)C(F)C(F)(F)F ZINC001755281132 1440800601 /nfs/dbraw/zinc/80/06/01/1440800601.db2.gz YZVGKLGTGKZDMJ-RYUDHWBXSA-N 1 2 326.378 3.316 20 30 EGEDLO C=CCC[C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@H](F)C(F)(F)F ZINC001755281132 1440800602 /nfs/dbraw/zinc/80/06/02/1440800602.db2.gz YZVGKLGTGKZDMJ-RYUDHWBXSA-N 1 2 326.378 3.316 20 30 EGEDLO CCCCCC(=O)N[C@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001755371501 1440837190 /nfs/dbraw/zinc/83/71/90/1440837190.db2.gz XQYISARRHGBWDZ-CQSZACIVSA-N 1 2 331.435 3.214 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H](C)C1C[NH+](Cc2ccc(Cl)nc2)C1 ZINC001755384648 1440840185 /nfs/dbraw/zinc/84/01/85/1440840185.db2.gz SIZFXHCVQXETNW-HNNXBMFYSA-N 1 2 347.890 3.255 20 30 EGEDLO C=CCC1(C(=O)N(C)C[C@@H](C)[NH2+][C@H](C)c2nc(C)no2)CCCCC1 ZINC001755618019 1440889531 /nfs/dbraw/zinc/88/95/31/1440889531.db2.gz HRRZTYSSAXJDLF-HUUCEWRRSA-N 1 2 348.491 3.402 20 30 EGEDLO C=CCC1(C(=O)N(C)C[C@H](C)[NH2+]Cc2nc(C3CC3)no2)CCCC1 ZINC001755619425 1440890197 /nfs/dbraw/zinc/89/01/97/1440890197.db2.gz DSEFPYIOTFDWOD-AWEZNQCLSA-N 1 2 346.475 3.020 20 30 EGEDLO C=CCC(CC=C)C(=O)N1C[C@H]([NH2+]Cc2nnc(C(C)C)o2)C[C@H]1C ZINC001755677475 1440894871 /nfs/dbraw/zinc/89/48/71/1440894871.db2.gz YHMJFPHIQABAAN-GDBMZVCRSA-N 1 2 346.475 3.040 20 30 EGEDLO C#CCCCC(=O)N(CC[N@H+](C)Cc1cnc(Cl)s1)C(C)C ZINC001755810933 1440920452 /nfs/dbraw/zinc/92/04/52/1440920452.db2.gz QXSJQESCEVJSKW-UHFFFAOYSA-N 1 2 341.908 3.269 20 30 EGEDLO C#CCCCC(=O)N(CC[N@@H+](C)Cc1cnc(Cl)s1)C(C)C ZINC001755810933 1440920453 /nfs/dbraw/zinc/92/04/53/1440920453.db2.gz QXSJQESCEVJSKW-UHFFFAOYSA-N 1 2 341.908 3.269 20 30 EGEDLO CC#CCCCC(=O)NCC1=CC[N@H+](Cc2ccc(F)cc2F)CC1 ZINC001755891873 1440941430 /nfs/dbraw/zinc/94/14/30/1440941430.db2.gz PPPKTXMKKILFRE-UHFFFAOYSA-N 1 2 346.421 3.407 20 30 EGEDLO CC#CCCCC(=O)NCC1=CC[N@@H+](Cc2ccc(F)cc2F)CC1 ZINC001755891873 1440941431 /nfs/dbraw/zinc/94/14/31/1440941431.db2.gz PPPKTXMKKILFRE-UHFFFAOYSA-N 1 2 346.421 3.407 20 30 EGEDLO C=CC[N@@H+](CCSc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066559855 215053810 /nfs/dbraw/zinc/05/38/10/215053810.db2.gz YRACBHUWWZIBOO-AWEZNQCLSA-N 1 2 345.917 3.107 20 30 EGEDLO C=CC[N@H+](CCSc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066559855 215053813 /nfs/dbraw/zinc/05/38/13/215053813.db2.gz YRACBHUWWZIBOO-AWEZNQCLSA-N 1 2 345.917 3.107 20 30 EGEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000040494098 213320427 /nfs/dbraw/zinc/32/04/27/213320427.db2.gz JRHQBNRIWCNLIS-AWEZNQCLSA-N 1 2 328.437 3.155 20 30 EGEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000040494098 213320430 /nfs/dbraw/zinc/32/04/30/213320430.db2.gz JRHQBNRIWCNLIS-AWEZNQCLSA-N 1 2 328.437 3.155 20 30 EGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000184355105 235375379 /nfs/dbraw/zinc/37/53/79/235375379.db2.gz GUTCMEUKARNCCN-CQSZACIVSA-N 1 2 325.437 3.139 20 30 EGEDLO C[C@@H](c1cccc(NC(=O)c2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000264216481 246195846 /nfs/dbraw/zinc/19/58/46/246195846.db2.gz JZNOTFZLYNJTGL-HNNXBMFYSA-N 1 2 335.407 3.204 20 30 EGEDLO C=CCOCCCC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000266274398 248216498 /nfs/dbraw/zinc/21/64/98/248216498.db2.gz RSAYKDDABOLOQH-KRWDZBQOSA-N 1 2 347.846 3.262 20 30 EGEDLO CCCn1nc(C)c(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1C ZINC000377254921 169003154 /nfs/dbraw/zinc/00/31/54/169003154.db2.gz WRPVXPCOKODBGS-FQEVSTJZSA-N 1 2 338.455 3.355 20 30 EGEDLO CCCn1nc(C)c(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1C ZINC000377254921 169003157 /nfs/dbraw/zinc/00/31/57/169003157.db2.gz WRPVXPCOKODBGS-FQEVSTJZSA-N 1 2 338.455 3.355 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000119706132 221381400 /nfs/dbraw/zinc/38/14/00/221381400.db2.gz YERIIOXUVCPQDH-MRXNPFEDSA-N 1 2 341.455 3.310 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCOC2(C1)CCCCCC2 ZINC000119706132 221381403 /nfs/dbraw/zinc/38/14/03/221381403.db2.gz YERIIOXUVCPQDH-MRXNPFEDSA-N 1 2 341.455 3.310 20 30 EGEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(Cl)cc1Cl ZINC000006609932 258052417 /nfs/dbraw/zinc/05/24/17/258052417.db2.gz WRONFDJUAWBUDN-MRXNPFEDSA-N 1 2 340.254 3.234 20 30 EGEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(Cl)cc1Cl ZINC000006609932 258052419 /nfs/dbraw/zinc/05/24/19/258052419.db2.gz WRONFDJUAWBUDN-MRXNPFEDSA-N 1 2 340.254 3.234 20 30 EGEDLO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000348012692 141232149 /nfs/dbraw/zinc/23/21/49/141232149.db2.gz UKDPZBDRKXVJNY-UGSOOPFHSA-N 1 2 333.391 3.490 20 30 EGEDLO C[C@H]1CC[C@@H](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000345512804 144247452 /nfs/dbraw/zinc/24/74/52/144247452.db2.gz VGZAZXQJLBRRNI-QFBILLFUSA-N 1 2 325.456 3.029 20 30 EGEDLO CC(C)c1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc1 ZINC000351513667 144272866 /nfs/dbraw/zinc/27/28/66/144272866.db2.gz LQOPWGYRQDVLKE-UHFFFAOYSA-N 1 2 348.450 3.035 20 30 EGEDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000341090538 155152950 /nfs/dbraw/zinc/15/29/50/155152950.db2.gz BKOBMTOOFSQYCI-BZNIZROVSA-N 1 2 345.349 3.037 20 30 EGEDLO CCC[N@H+](CC#CCOC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000677818026 549336602 /nfs/dbraw/zinc/33/66/02/549336602.db2.gz XMNVUJCZLUXEDE-UHFFFAOYSA-N 1 2 343.254 3.294 20 30 EGEDLO CCC[N@@H+](CC#CCOC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000677818026 549336605 /nfs/dbraw/zinc/33/66/05/549336605.db2.gz XMNVUJCZLUXEDE-UHFFFAOYSA-N 1 2 343.254 3.294 20 30 EGEDLO CCn1nc(C[NH+]2CCN(c3ccccc3C#N)CC2)c2ccccc21 ZINC000352010350 165190379 /nfs/dbraw/zinc/19/03/79/165190379.db2.gz CEAFLUDSRRJODA-UHFFFAOYSA-N 1 2 345.450 3.250 20 30 EGEDLO C[C@@H](Oc1ccc(C#N)cc1)c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000355664397 166277769 /nfs/dbraw/zinc/27/77/69/166277769.db2.gz WRVNMURYNVLGBT-CYBMUJFWSA-N 1 2 345.362 3.320 20 30 EGEDLO Cc1[nH+]c[nH]c1CNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000359488334 167170450 /nfs/dbraw/zinc/17/04/50/167170450.db2.gz YRTOZYLCYWXOLE-UHFFFAOYSA-N 1 2 346.390 3.099 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)cc1C#N ZINC000366941290 168159640 /nfs/dbraw/zinc/15/96/40/168159640.db2.gz PQYAJNBSYWCQKO-GOSISDBHSA-N 1 2 348.381 3.259 20 30 EGEDLO N#Cc1ccc2ncc(C[N@H+]3CC[C@](F)(c4ccccc4F)C3)n2c1 ZINC000367125407 168182520 /nfs/dbraw/zinc/18/25/20/168182520.db2.gz FMFUHSCLXCOFBF-LJQANCHMSA-N 1 2 338.361 3.416 20 30 EGEDLO N#Cc1ccc2ncc(C[N@@H+]3CC[C@](F)(c4ccccc4F)C3)n2c1 ZINC000367125407 168182522 /nfs/dbraw/zinc/18/25/22/168182522.db2.gz FMFUHSCLXCOFBF-LJQANCHMSA-N 1 2 338.361 3.416 20 30 EGEDLO N#Cc1ccc2[nH+]cc(CN3CC[C@](F)(c4ccccc4F)C3)n2c1 ZINC000367125407 168182526 /nfs/dbraw/zinc/18/25/26/168182526.db2.gz FMFUHSCLXCOFBF-LJQANCHMSA-N 1 2 338.361 3.416 20 30 EGEDLO Cc1c(C#N)cccc1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000431725511 269904186 /nfs/dbraw/zinc/90/41/86/269904186.db2.gz NDIIYVNKNBBGBC-UHFFFAOYSA-N 1 2 331.379 3.374 20 30 EGEDLO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC000444774989 270052321 /nfs/dbraw/zinc/05/23/21/270052321.db2.gz LBRUVUZPUHDKBR-IBGZPJMESA-N 1 2 330.428 3.265 20 30 EGEDLO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1Cc1cc(C#N)ccc1OC ZINC000444774989 270052322 /nfs/dbraw/zinc/05/23/22/270052322.db2.gz LBRUVUZPUHDKBR-IBGZPJMESA-N 1 2 330.428 3.265 20 30 EGEDLO N#Cc1ccc(OC2CC[NH+](Cc3ccncc3F)CC2)c(F)c1 ZINC000449319262 270052863 /nfs/dbraw/zinc/05/28/63/270052863.db2.gz GDBMQHZGYRXVGH-UHFFFAOYSA-N 1 2 329.350 3.275 20 30 EGEDLO C/C(Cl)=C/C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000528402702 270060121 /nfs/dbraw/zinc/06/01/21/270060121.db2.gz BJRVWLUJHRJHOF-QCDXTXTGSA-N 1 2 332.791 3.071 20 30 EGEDLO COC(=O)c1cccc(C[NH2+]C2(c3nccs3)CCCC2)c1C#N ZINC000533758750 270061277 /nfs/dbraw/zinc/06/12/77/270061277.db2.gz LDBNQTAAKFYWFM-UHFFFAOYSA-N 1 2 341.436 3.360 20 30 EGEDLO CCN(CC)c1ccc(CNc2ccc(C#N)c([N+](=O)[O-])c2)c[nH+]1 ZINC000290605386 266121241 /nfs/dbraw/zinc/12/12/41/266121241.db2.gz ZNIDETHWPKELPU-UHFFFAOYSA-N 1 2 325.372 3.320 20 30 EGEDLO CC[C@@H]1CN(C(=O)c2ccc(C#N)c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000189212850 266376969 /nfs/dbraw/zinc/37/69/69/266376969.db2.gz CLSRIFHYCXFANA-LJQANCHMSA-N 1 2 349.434 3.000 20 30 EGEDLO CC[C@@H]1CN(C(=O)c2ccc(C#N)c(O)c2)CC[N@H+]1Cc1ccccc1 ZINC000189212850 266376983 /nfs/dbraw/zinc/37/69/83/266376983.db2.gz CLSRIFHYCXFANA-LJQANCHMSA-N 1 2 349.434 3.000 20 30 EGEDLO CCN(CC)C(=O)CCC1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000425250171 267055341 /nfs/dbraw/zinc/05/53/41/267055341.db2.gz VQJZUAKZPCRAAM-UHFFFAOYSA-N 1 2 328.460 3.127 20 30 EGEDLO CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000432642675 267292006 /nfs/dbraw/zinc/29/20/06/267292006.db2.gz FOHIMFJVUBEZJE-UHFFFAOYSA-N 1 2 349.369 3.201 20 30 EGEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ccc(Br)cc1C#N ZINC000428677547 267321802 /nfs/dbraw/zinc/32/18/02/267321802.db2.gz DXQIPCNYQMOIJQ-UHFFFAOYSA-N 1 2 345.244 3.490 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1N(c2nc(C(F)(F)F)ccc2C#N)CC1(C)C ZINC000296348333 267827068 /nfs/dbraw/zinc/82/70/68/267827068.db2.gz QWFDTEUUWQJJKU-LBPRGKRZSA-N 1 2 335.333 3.293 20 30 EGEDLO Cc1ccc(CNc2cc(C)[nH+]cc2C#N)c(OC[C@@H]2CCCO2)c1 ZINC000425237245 268037418 /nfs/dbraw/zinc/03/74/18/268037418.db2.gz LHFSQGGZHATVQQ-SFHVURJKSA-N 1 2 337.423 3.162 20 30 EGEDLO N#Cc1ccc(NC(=O)NCCCNc2cccc[nH+]2)cc1Cl ZINC000194069518 268146512 /nfs/dbraw/zinc/14/65/12/268146512.db2.gz UKSYJRKTOMJXGU-UHFFFAOYSA-N 1 2 329.791 3.230 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCOC3(CCCC3)C2)c(Br)c1 ZINC000481051870 268220906 /nfs/dbraw/zinc/22/09/06/268220906.db2.gz HHMACTZXRQSCRK-UHFFFAOYSA-N 1 2 335.245 3.466 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCOC3(CCCC3)C2)c(Br)c1 ZINC000481051870 268220907 /nfs/dbraw/zinc/22/09/07/268220907.db2.gz HHMACTZXRQSCRK-UHFFFAOYSA-N 1 2 335.245 3.466 20 30 EGEDLO N#Cc1cccc(/C=C\C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000492943512 268269016 /nfs/dbraw/zinc/26/90/16/268269016.db2.gz XHTOMMFVPAUPSC-HJWRWDBZSA-N 1 2 342.402 3.133 20 30 EGEDLO N#Cc1ccc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)cc1 ZINC000349946108 303190904 /nfs/dbraw/zinc/19/09/04/303190904.db2.gz RDIOTNNOGUIPKC-OAQYLSRUSA-N 1 2 345.446 3.108 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)cc1 ZINC000349946108 303190907 /nfs/dbraw/zinc/19/09/07/303190907.db2.gz RDIOTNNOGUIPKC-OAQYLSRUSA-N 1 2 345.446 3.108 20 30 EGEDLO N#Cc1ccsc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000052147319 307331840 /nfs/dbraw/zinc/33/18/40/307331840.db2.gz ITUYGVBLDXPYIN-QPJJXVBHSA-N 1 2 337.448 3.091 20 30 EGEDLO CN(Cc1ccc(C#N)cc1)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000074521835 307394285 /nfs/dbraw/zinc/39/42/85/307394285.db2.gz QNINAYUSBLGIRO-DHZHZOJOSA-N 1 2 342.402 3.416 20 30 EGEDLO N#Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1Cl ZINC000154032291 307786541 /nfs/dbraw/zinc/78/65/41/307786541.db2.gz XCNCSEKTYDXICC-UHFFFAOYSA-N 1 2 340.814 3.137 20 30 EGEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(c2ncccc2Cl)CC1 ZINC000155946922 307824046 /nfs/dbraw/zinc/82/40/46/307824046.db2.gz CAGJLQOYXYVSLW-AWEZNQCLSA-N 1 2 326.831 3.490 20 30 EGEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCOCC23CCCC3)c1 ZINC000492745805 311286280 /nfs/dbraw/zinc/28/62/80/311286280.db2.gz IPFMUYLVPJBPRL-UHFFFAOYSA-N 1 2 335.245 3.466 20 30 EGEDLO N#Cc1ccc(Br)c(C[N@H+]2CCOCC23CCCC3)c1 ZINC000492745805 311286282 /nfs/dbraw/zinc/28/62/82/311286282.db2.gz IPFMUYLVPJBPRL-UHFFFAOYSA-N 1 2 335.245 3.466 20 30 EGEDLO COC(=O)c1cccc(C[N@H+]2Cc3ccccc3O[C@H](C)C2)c1C#N ZINC000565340027 316310573 /nfs/dbraw/zinc/31/05/73/316310573.db2.gz KOXVFVMQUPNARJ-CQSZACIVSA-N 1 2 336.391 3.128 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+]2Cc3ccccc3O[C@H](C)C2)c1C#N ZINC000565340027 316310574 /nfs/dbraw/zinc/31/05/74/316310574.db2.gz KOXVFVMQUPNARJ-CQSZACIVSA-N 1 2 336.391 3.128 20 30 EGEDLO C=C[C@H](C)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000136786433 454756607 /nfs/dbraw/zinc/75/66/07/454756607.db2.gz KROHIULVXDEAMK-WFASDCNBSA-N 1 2 337.261 3.277 20 30 EGEDLO C=CCOC[C@H]([NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)C(=O)OC ZINC000482441193 459308811 /nfs/dbraw/zinc/30/88/11/459308811.db2.gz SEGSRFFNYWSHBN-XQHKEYJVSA-N 1 2 343.876 3.227 20 30 EGEDLO C[C@]1(C#N)CCC[N@H+](CC(=O)N2CCC(Cc3ccccc3)CC2)C1 ZINC000612155053 460554949 /nfs/dbraw/zinc/55/49/49/460554949.db2.gz KLXSLBSCCOCESK-OAQYLSRUSA-N 1 2 339.483 3.093 20 30 EGEDLO C[C@]1(C#N)CCC[N@@H+](CC(=O)N2CCC(Cc3ccccc3)CC2)C1 ZINC000612155053 460554956 /nfs/dbraw/zinc/55/49/56/460554956.db2.gz KLXSLBSCCOCESK-OAQYLSRUSA-N 1 2 339.483 3.093 20 30 EGEDLO C/C=C\c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@](C)(C#N)C2)c(OC)c1 ZINC000612165980 460558188 /nfs/dbraw/zinc/55/81/88/460558188.db2.gz QEOWBNNIBMEZBE-JITJTBAFSA-N 1 2 344.455 3.094 20 30 EGEDLO C/C=C\c1ccc(OC[C@H](O)C[N@H+]2CCC[C@@](C)(C#N)C2)c(OC)c1 ZINC000612165980 460558195 /nfs/dbraw/zinc/55/81/95/460558195.db2.gz QEOWBNNIBMEZBE-JITJTBAFSA-N 1 2 344.455 3.094 20 30 EGEDLO CSc1ccccc1NC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000007977671 453142443 /nfs/dbraw/zinc/14/24/43/453142443.db2.gz UASJXBDQXUVUIN-UHFFFAOYSA-N 1 2 325.437 3.351 20 30 EGEDLO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000007977671 453142450 /nfs/dbraw/zinc/14/24/50/453142450.db2.gz UASJXBDQXUVUIN-UHFFFAOYSA-N 1 2 325.437 3.351 20 30 EGEDLO COc1ccc(Cl)cc1C[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000008005601 453148726 /nfs/dbraw/zinc/14/87/26/453148726.db2.gz VZQYUCOTXXBZPW-UHFFFAOYSA-N 1 2 343.814 3.291 20 30 EGEDLO COc1ccc(Cl)cc1C[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000008005601 453148735 /nfs/dbraw/zinc/14/87/35/453148735.db2.gz VZQYUCOTXXBZPW-UHFFFAOYSA-N 1 2 343.814 3.291 20 30 EGEDLO Cc1nnc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)c(C#N)c1C ZINC000024055812 453724202 /nfs/dbraw/zinc/72/42/02/453724202.db2.gz ZKGBNFHFIATOFL-UHFFFAOYSA-N 1 2 332.411 3.225 20 30 EGEDLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000026323850 453796387 /nfs/dbraw/zinc/79/63/87/453796387.db2.gz DBSVJQOVTJLURL-CQSZACIVSA-N 1 2 335.407 3.220 20 30 EGEDLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000026323850 453796389 /nfs/dbraw/zinc/79/63/89/453796389.db2.gz DBSVJQOVTJLURL-CQSZACIVSA-N 1 2 335.407 3.220 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c(C#N)c1C ZINC000026324577 453796619 /nfs/dbraw/zinc/79/66/19/453796619.db2.gz QHCRHSPWEIJCPR-ZYHUDNBSSA-N 1 2 343.349 3.369 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(F)(F)F)C2)c(C#N)c1C ZINC000026324577 453796620 /nfs/dbraw/zinc/79/66/20/453796620.db2.gz QHCRHSPWEIJCPR-ZYHUDNBSSA-N 1 2 343.349 3.369 20 30 EGEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000026328004 453797159 /nfs/dbraw/zinc/79/71/59/453797159.db2.gz DEPZMSZZTDBMSF-UHFFFAOYSA-N 1 2 338.798 3.080 20 30 EGEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000026328004 453797161 /nfs/dbraw/zinc/79/71/61/453797161.db2.gz DEPZMSZZTDBMSF-UHFFFAOYSA-N 1 2 338.798 3.080 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1cccc2nsnc21)Cc1ccccc1 ZINC000027776036 453820523 /nfs/dbraw/zinc/82/05/23/453820523.db2.gz KKPYYKOTUSUIMF-UHFFFAOYSA-N 1 2 338.436 3.318 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1cccc2nsnc21)Cc1ccccc1 ZINC000027776036 453820524 /nfs/dbraw/zinc/82/05/24/453820524.db2.gz KKPYYKOTUSUIMF-UHFFFAOYSA-N 1 2 338.436 3.318 20 30 EGEDLO CCc1ccc(C[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000081512281 453880003 /nfs/dbraw/zinc/88/00/03/453880003.db2.gz PAYWFPJTAATCCJ-UHFFFAOYSA-N 1 2 342.464 3.026 20 30 EGEDLO CCc1ccc(C[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000081512281 453880006 /nfs/dbraw/zinc/88/00/06/453880006.db2.gz PAYWFPJTAATCCJ-UHFFFAOYSA-N 1 2 342.464 3.026 20 30 EGEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc(C#N)cs1 ZINC000084112803 453969713 /nfs/dbraw/zinc/96/97/13/453969713.db2.gz DXKWKAGZQUZJBQ-UHFFFAOYSA-N 1 2 341.436 3.013 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccccn2)no1 ZINC000076153947 453972084 /nfs/dbraw/zinc/97/20/84/453972084.db2.gz NHHARLNLUQMROR-AEFFLSMTSA-N 1 2 345.406 3.403 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1nc(-c2ccccn2)no1 ZINC000076153947 453972088 /nfs/dbraw/zinc/97/20/88/453972088.db2.gz NHHARLNLUQMROR-AEFFLSMTSA-N 1 2 345.406 3.403 20 30 EGEDLO COc1ccccc1C[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000069302735 454092601 /nfs/dbraw/zinc/09/26/01/454092601.db2.gz FVHITSIKXZDRFU-UHFFFAOYSA-N 1 2 337.423 3.074 20 30 EGEDLO COc1ccccc1C[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000069302735 454092604 /nfs/dbraw/zinc/09/26/04/454092604.db2.gz FVHITSIKXZDRFU-UHFFFAOYSA-N 1 2 337.423 3.074 20 30 EGEDLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000184534909 455397952 /nfs/dbraw/zinc/39/79/52/455397952.db2.gz LUAMQGJDXHZEHV-IAQYHMDHSA-N 1 2 347.802 3.109 20 30 EGEDLO N#CCNC(=O)C[N@@H+]1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000088602193 454114716 /nfs/dbraw/zinc/11/47/16/454114716.db2.gz SAGNLNNPMSLWSR-GOSISDBHSA-N 1 2 339.826 3.079 20 30 EGEDLO N#CCNC(=O)C[N@H+]1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000088602193 454114720 /nfs/dbraw/zinc/11/47/20/454114720.db2.gz SAGNLNNPMSLWSR-GOSISDBHSA-N 1 2 339.826 3.079 20 30 EGEDLO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(C#N)CC1)c1cc2ccccc2o1 ZINC000057877031 454153723 /nfs/dbraw/zinc/15/37/23/454153723.db2.gz JSSBXHZKNCELAG-KBPBESRZSA-N 1 2 325.412 3.234 20 30 EGEDLO Cn1c(CCNc2c(C#N)nnc3ccccc32)[nH+]c2ccc(F)cc21 ZINC000078294121 454225872 /nfs/dbraw/zinc/22/58/72/454225872.db2.gz HPCQZCLAUZGUTC-UHFFFAOYSA-N 1 2 346.369 3.182 20 30 EGEDLO C[N@H+](CC(=O)Nc1ccc(F)c(Cl)c1)Cc1ccc(C#N)cc1 ZINC000046518916 454260246 /nfs/dbraw/zinc/26/02/46/454260246.db2.gz KWBHMAIWZWETLC-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO C[N@@H+](CC(=O)Nc1ccc(F)c(Cl)c1)Cc1ccc(C#N)cc1 ZINC000046518916 454260253 /nfs/dbraw/zinc/26/02/53/454260253.db2.gz KWBHMAIWZWETLC-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO Cn1cc(Cl)cc1C[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000120184238 454268946 /nfs/dbraw/zinc/26/89/46/454268946.db2.gz NNEQAXHJYVDACX-UHFFFAOYSA-N 1 2 344.846 3.057 20 30 EGEDLO Cn1cc(Cl)cc1C[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000120184238 454268950 /nfs/dbraw/zinc/26/89/50/454268950.db2.gz NNEQAXHJYVDACX-UHFFFAOYSA-N 1 2 344.846 3.057 20 30 EGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000078681305 454299341 /nfs/dbraw/zinc/29/93/41/454299341.db2.gz YKGSVPZOUKILDP-UHFFFAOYSA-N 1 2 342.270 3.041 20 30 EGEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000047029109 454321455 /nfs/dbraw/zinc/32/14/55/454321455.db2.gz GPBSLGIJADTPNP-GFCCVEGCSA-N 1 2 338.864 3.384 20 30 EGEDLO Cc1ccccc1-c1noc([C@H](C)O[NH+]=C(N)[C@@H](C)OCC(C)C)n1 ZINC000072921333 454363216 /nfs/dbraw/zinc/36/32/16/454363216.db2.gz IUZXTLUNXWWGJC-KGLIPLIRSA-N 1 2 346.431 3.456 20 30 EGEDLO C=CC[N@@H+](C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000121235804 454410176 /nfs/dbraw/zinc/41/01/76/454410176.db2.gz SWAGSHUTOZRSIB-AWEZNQCLSA-N 1 2 329.425 3.137 20 30 EGEDLO C=CC[N@H+](C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000121235804 454410178 /nfs/dbraw/zinc/41/01/78/454410178.db2.gz SWAGSHUTOZRSIB-AWEZNQCLSA-N 1 2 329.425 3.137 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000047957941 454424765 /nfs/dbraw/zinc/42/47/65/454424765.db2.gz OIUKKZDCLHXJIV-UHFFFAOYSA-N 1 2 336.435 3.209 20 30 EGEDLO N#Cc1ccc(F)c(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c1 ZINC000048041487 454435056 /nfs/dbraw/zinc/43/50/56/454435056.db2.gz XMUIPPAQIOOVOH-UHFFFAOYSA-N 1 2 338.361 3.030 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc(CC#N)c1)c1ccccc1F ZINC000049617594 454553054 /nfs/dbraw/zinc/55/30/54/454553054.db2.gz GEUIZSFMFAWSTP-SFHVURJKSA-N 1 2 348.381 3.145 20 30 EGEDLO C=CC[N@@H+](Cc1cc(Cl)cc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361180 454556364 /nfs/dbraw/zinc/55/63/64/454556364.db2.gz QSVJGZPLNNOHBF-AWEZNQCLSA-N 1 2 334.268 3.169 20 30 EGEDLO C=CC[N@H+](Cc1cc(Cl)cc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361180 454556369 /nfs/dbraw/zinc/55/63/69/454556369.db2.gz QSVJGZPLNNOHBF-AWEZNQCLSA-N 1 2 334.268 3.169 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000134647562 454573835 /nfs/dbraw/zinc/57/38/35/454573835.db2.gz JSBVYRWAFXEJCS-NEPJUHHUSA-N 1 2 333.270 3.273 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000134647562 454573838 /nfs/dbraw/zinc/57/38/38/454573838.db2.gz JSBVYRWAFXEJCS-NEPJUHHUSA-N 1 2 333.270 3.273 20 30 EGEDLO N#Cc1ccc(CN2CC[NH+](CCOc3ccccc3Cl)CC2)o1 ZINC000123685999 454665118 /nfs/dbraw/zinc/66/51/18/454665118.db2.gz IXJJKIMQQQUREI-UHFFFAOYSA-N 1 2 345.830 3.001 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(CCOc3ccccc3Cl)CC2)o1 ZINC000123685999 454665120 /nfs/dbraw/zinc/66/51/20/454665120.db2.gz IXJJKIMQQQUREI-UHFFFAOYSA-N 1 2 345.830 3.001 20 30 EGEDLO COc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1OCc1cccnc1 ZINC000093090955 454679745 /nfs/dbraw/zinc/67/97/45/454679745.db2.gz POOXVFKADJTFLA-OAHLLOKOSA-N 1 2 325.412 3.403 20 30 EGEDLO COc1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1OCc1cccnc1 ZINC000093090955 454679753 /nfs/dbraw/zinc/67/97/53/454679753.db2.gz POOXVFKADJTFLA-OAHLLOKOSA-N 1 2 325.412 3.403 20 30 EGEDLO COc1cc(C[N@H+](CCC#N)CCC(C)C)c([N+](=O)[O-])cc1OC ZINC000093100860 454681142 /nfs/dbraw/zinc/68/11/42/454681142.db2.gz CBNMQBDUOYVPOQ-UHFFFAOYSA-N 1 2 335.404 3.374 20 30 EGEDLO COc1cc(C[N@@H+](CCC#N)CCC(C)C)c([N+](=O)[O-])cc1OC ZINC000093100860 454681149 /nfs/dbraw/zinc/68/11/49/454681149.db2.gz CBNMQBDUOYVPOQ-UHFFFAOYSA-N 1 2 335.404 3.374 20 30 EGEDLO C=C(C)CN(CC)C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000124393049 454728091 /nfs/dbraw/zinc/72/80/91/454728091.db2.gz RWUNCQAOEMXSEP-UHFFFAOYSA-N 1 2 330.476 3.426 20 30 EGEDLO CCS[C@@H](C)c1noc(CO[NH+]=C(N)c2cccc(Cl)c2)n1 ZINC000152879926 454736615 /nfs/dbraw/zinc/73/66/15/454736615.db2.gz NPSDNIUUONUXLK-VIFPVBQESA-N 1 2 340.836 3.374 20 30 EGEDLO COc1ccc(C[N@H+](C)Cc2cn3ccccc3c2C#N)cc1OC ZINC000141215976 454828005 /nfs/dbraw/zinc/82/80/05/454828005.db2.gz RHVBTCLGSQAWAP-UHFFFAOYSA-N 1 2 335.407 3.460 20 30 EGEDLO COc1ccc(C[N@@H+](C)Cc2cn3ccccc3c2C#N)cc1OC ZINC000141215976 454828007 /nfs/dbraw/zinc/82/80/07/454828007.db2.gz RHVBTCLGSQAWAP-UHFFFAOYSA-N 1 2 335.407 3.460 20 30 EGEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000266957986 455483056 /nfs/dbraw/zinc/48/30/56/455483056.db2.gz KSHHMLIHVKNVBU-HZPDHXFCSA-N 1 2 339.439 3.237 20 30 EGEDLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000266957986 455483061 /nfs/dbraw/zinc/48/30/61/455483061.db2.gz KSHHMLIHVKNVBU-HZPDHXFCSA-N 1 2 339.439 3.237 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000171104379 455031261 /nfs/dbraw/zinc/03/12/61/455031261.db2.gz GQKZXDITGVFPGU-SFHVURJKSA-N 1 2 338.386 3.093 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000171104379 455031262 /nfs/dbraw/zinc/03/12/62/455031262.db2.gz GQKZXDITGVFPGU-SFHVURJKSA-N 1 2 338.386 3.093 20 30 EGEDLO N#C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)c(Cl)c1 ZINC000152411477 455115040 /nfs/dbraw/zinc/11/50/40/455115040.db2.gz GWIHPOLIBQURTK-ABAIWWIYSA-N 1 2 349.221 3.133 20 30 EGEDLO COCC[N@H+](CCC#N)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000119117500 455127213 /nfs/dbraw/zinc/12/72/13/455127213.db2.gz BBEYGHSALJLSLR-UHFFFAOYSA-N 1 2 329.356 3.217 20 30 EGEDLO COCC[N@@H+](CCC#N)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000119117500 455127215 /nfs/dbraw/zinc/12/72/15/455127215.db2.gz BBEYGHSALJLSLR-UHFFFAOYSA-N 1 2 329.356 3.217 20 30 EGEDLO Cc1ccc(C#N)cc1NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000172216002 455135505 /nfs/dbraw/zinc/13/55/05/455135505.db2.gz VTSPIOWBGJQMMW-INIZCTEOSA-N 1 2 349.438 3.172 20 30 EGEDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CC#N)C1CCCC1 ZINC000156689679 455144538 /nfs/dbraw/zinc/14/45/38/455144538.db2.gz FDXHSVDOKDMMGM-UHFFFAOYSA-N 1 2 330.388 3.000 20 30 EGEDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CC#N)C1CCCC1 ZINC000156689679 455144541 /nfs/dbraw/zinc/14/45/41/455144541.db2.gz FDXHSVDOKDMMGM-UHFFFAOYSA-N 1 2 330.388 3.000 20 30 EGEDLO C=CCn1c(SCCCn2cc[nH+]c2)nc2sccc2c1=O ZINC000180430073 455167910 /nfs/dbraw/zinc/16/79/10/455167910.db2.gz PKCZBCGUVWVQQY-UHFFFAOYSA-N 1 2 332.454 3.023 20 30 EGEDLO C=CCCC[C@@H](C)NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000180432879 455168867 /nfs/dbraw/zinc/16/88/67/455168867.db2.gz KBERQKCVGTYJTJ-MJGOQNOKSA-N 1 2 345.487 3.104 20 30 EGEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1cc(F)c(F)c(F)c1 ZINC000180483563 455178801 /nfs/dbraw/zinc/17/88/01/455178801.db2.gz SPTILBNGYUQHQZ-UHFFFAOYSA-N 1 2 333.313 3.046 20 30 EGEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1cc(F)c(F)c(F)c1 ZINC000180483563 455178804 /nfs/dbraw/zinc/17/88/04/455178804.db2.gz SPTILBNGYUQHQZ-UHFFFAOYSA-N 1 2 333.313 3.046 20 30 EGEDLO CCCOc1ccc(/C=[NH+]/[C@H]2CCC[C@H](C(=O)N(C)C)C2)c(O)c1 ZINC000265152519 455301996 /nfs/dbraw/zinc/30/19/96/455301996.db2.gz QUIRRSLACLUZMM-NTGHFPBUSA-N 1 2 332.444 3.247 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000173549309 455303744 /nfs/dbraw/zinc/30/37/44/455303744.db2.gz AMEQEMYYIOWAKJ-UHFFFAOYSA-N 1 2 332.492 3.323 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000173549309 455303748 /nfs/dbraw/zinc/30/37/48/455303748.db2.gz AMEQEMYYIOWAKJ-UHFFFAOYSA-N 1 2 332.492 3.323 20 30 EGEDLO C[C@H](c1cnn(C)c1)[N@H+](C)Cc1ccc(C#N)cc1Br ZINC000181233599 455305343 /nfs/dbraw/zinc/30/53/43/455305343.db2.gz JHVUCEPBIIOFFG-LLVKDONJSA-N 1 2 333.233 3.247 20 30 EGEDLO C[C@H](c1cnn(C)c1)[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000181233599 455305347 /nfs/dbraw/zinc/30/53/47/455305347.db2.gz JHVUCEPBIIOFFG-LLVKDONJSA-N 1 2 333.233 3.247 20 30 EGEDLO COC(=O)c1cccc(-c2nc(C[NH+]3CCC(C#N)CC3)cs2)c1 ZINC000173587178 455311417 /nfs/dbraw/zinc/31/14/17/455311417.db2.gz TWDNJEZMWCEBGN-UHFFFAOYSA-N 1 2 341.436 3.332 20 30 EGEDLO COc1ccccc1-c1nnc(C[N@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000159068181 455348987 /nfs/dbraw/zinc/34/89/87/455348987.db2.gz URARRZJXOQZMEM-UHFFFAOYSA-N 1 2 334.379 3.249 20 30 EGEDLO COc1ccccc1-c1nnc(C[N@@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000159068181 455348992 /nfs/dbraw/zinc/34/89/92/455348992.db2.gz URARRZJXOQZMEM-UHFFFAOYSA-N 1 2 334.379 3.249 20 30 EGEDLO C=C(C)CN(C)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000181591773 455359628 /nfs/dbraw/zinc/35/96/28/455359628.db2.gz VWOIURXTECMWRJ-HOTGVXAUSA-N 1 2 331.460 3.336 20 30 EGEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000174578010 455404467 /nfs/dbraw/zinc/40/44/67/455404467.db2.gz NLCMJIFJHAVCKJ-GOSISDBHSA-N 1 2 332.407 3.210 20 30 EGEDLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)cs1 ZINC000184704702 455432462 /nfs/dbraw/zinc/43/24/62/455432462.db2.gz OFKAARHRBXNZHH-JTQLQIEISA-N 1 2 332.429 3.076 20 30 EGEDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000160528478 455469583 /nfs/dbraw/zinc/46/95/83/455469583.db2.gz YQAHQNXRRZKQMM-UHFFFAOYSA-N 1 2 325.387 3.385 20 30 EGEDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000160528478 455469589 /nfs/dbraw/zinc/46/95/89/455469589.db2.gz YQAHQNXRRZKQMM-UHFFFAOYSA-N 1 2 325.387 3.385 20 30 EGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2c(F)cc(C#N)cc2F)c1C ZINC000176121803 455543743 /nfs/dbraw/zinc/54/37/43/455543743.db2.gz DKHXUFMBGNAGFE-UHFFFAOYSA-N 1 2 345.349 3.129 20 30 EGEDLO Cc1ccc(C#N)c(N2CC[NH+]([C@H](C)c3ccc(F)cc3F)CC2)n1 ZINC000161193117 455547100 /nfs/dbraw/zinc/54/71/00/455547100.db2.gz SMKMOEKKPRSFJQ-CQSZACIVSA-N 1 2 342.393 3.423 20 30 EGEDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000161209317 455548222 /nfs/dbraw/zinc/54/82/22/455548222.db2.gz VVHDLPDSKLHYRY-QGZVFWFLSA-N 1 2 336.439 3.239 20 30 EGEDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000161209317 455548226 /nfs/dbraw/zinc/54/82/26/455548226.db2.gz VVHDLPDSKLHYRY-QGZVFWFLSA-N 1 2 336.439 3.239 20 30 EGEDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000161209191 455548629 /nfs/dbraw/zinc/54/86/29/455548629.db2.gz VVHDLPDSKLHYRY-KRWDZBQOSA-N 1 2 336.439 3.239 20 30 EGEDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000161209191 455548631 /nfs/dbraw/zinc/54/86/31/455548631.db2.gz VVHDLPDSKLHYRY-KRWDZBQOSA-N 1 2 336.439 3.239 20 30 EGEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(C(=O)OC)cc1Br ZINC000284500605 455695603 /nfs/dbraw/zinc/69/56/03/455695603.db2.gz XMZAWDLKNYRUPX-GFCCVEGCSA-N 1 2 325.206 3.018 20 30 EGEDLO CCOC(=O)c1cnn(Cc2ccc(C(C)C)[nH+]c2CC)c1C#N ZINC000292714731 455739205 /nfs/dbraw/zinc/73/92/05/455739205.db2.gz RRDZTMLUINORNT-UHFFFAOYSA-N 1 2 326.400 3.061 20 30 EGEDLO CC[C@@](C)(C#N)C(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000284981145 455771811 /nfs/dbraw/zinc/77/18/11/455771811.db2.gz DMTMNZQCFDSRAK-NRFANRHFSA-N 1 2 348.450 3.200 20 30 EGEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000249854856 455778482 /nfs/dbraw/zinc/77/84/82/455778482.db2.gz CVXQMCMXQJZCLG-VXGBXAGGSA-N 1 2 343.349 3.394 20 30 EGEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000249854856 455778485 /nfs/dbraw/zinc/77/84/85/455778485.db2.gz CVXQMCMXQJZCLG-VXGBXAGGSA-N 1 2 343.349 3.394 20 30 EGEDLO N#CC1(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CCCC1 ZINC000294451687 455815801 /nfs/dbraw/zinc/81/58/01/455815801.db2.gz PXRZTYOBPCDUOW-UHFFFAOYSA-N 1 2 328.803 3.226 20 30 EGEDLO COc1ccsc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000269348076 455841306 /nfs/dbraw/zinc/84/13/06/455841306.db2.gz JDMOOGDYNNAAPG-MRXNPFEDSA-N 1 2 327.453 3.139 20 30 EGEDLO Cc1ccc2[nH+]c(CNC(=O)N[C@@H](CCC#N)c3ccccc3)cn2c1 ZINC000269600334 455849972 /nfs/dbraw/zinc/84/99/72/455849972.db2.gz HVXUFFPMEHTCIG-SFHVURJKSA-N 1 2 347.422 3.487 20 30 EGEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1(C)C ZINC000296007522 455866830 /nfs/dbraw/zinc/86/68/30/455866830.db2.gz WANNBZXKFQTSEY-MRXNPFEDSA-N 1 2 336.439 3.445 20 30 EGEDLO C=C(C)[C@H](CC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C)OCC ZINC000270073202 455871926 /nfs/dbraw/zinc/87/19/26/455871926.db2.gz SIBTUBLAWHBIBU-CVEARBPZSA-N 1 2 340.414 3.055 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000272310392 455910533 /nfs/dbraw/zinc/91/05/33/455910533.db2.gz RMAWWYQFBXMACY-UHFFFAOYSA-N 1 2 326.396 3.151 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000272310392 455910537 /nfs/dbraw/zinc/91/05/37/455910537.db2.gz RMAWWYQFBXMACY-UHFFFAOYSA-N 1 2 326.396 3.151 20 30 EGEDLO Cc1nc(C(=O)Nc2ccc3[nH+]c(N(C)C)ccc3c2)ccc1C#N ZINC000195355494 455949309 /nfs/dbraw/zinc/94/93/09/455949309.db2.gz KOKRSYAROHJZQM-UHFFFAOYSA-N 1 2 331.379 3.128 20 30 EGEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000286750616 456053573 /nfs/dbraw/zinc/05/35/73/456053573.db2.gz YTNAQBPQGWLHGY-HNNXBMFYSA-N 1 2 345.748 3.119 20 30 EGEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000286750616 456053577 /nfs/dbraw/zinc/05/35/77/456053577.db2.gz YTNAQBPQGWLHGY-HNNXBMFYSA-N 1 2 345.748 3.119 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000286930794 456057150 /nfs/dbraw/zinc/05/71/50/456057150.db2.gz NJMCVIIFENSCHT-HOTGVXAUSA-N 1 2 335.245 3.464 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000286930794 456057154 /nfs/dbraw/zinc/05/71/54/456057154.db2.gz NJMCVIIFENSCHT-HOTGVXAUSA-N 1 2 335.245 3.464 20 30 EGEDLO N#CCC[N@H+](Cc1ccccn1)C[C@H](O)Cc1cccc(Cl)c1 ZINC000287846954 456080443 /nfs/dbraw/zinc/08/04/43/456080443.db2.gz QZZZDLNCPDPLKA-GOSISDBHSA-N 1 2 329.831 3.054 20 30 EGEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@H](O)Cc1cccc(Cl)c1 ZINC000287846954 456080447 /nfs/dbraw/zinc/08/04/47/456080447.db2.gz QZZZDLNCPDPLKA-GOSISDBHSA-N 1 2 329.831 3.054 20 30 EGEDLO C=CC[C@H](CC)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000280931068 456085512 /nfs/dbraw/zinc/08/55/12/456085512.db2.gz FYDSQRQHOTYTBC-XJKSGUPXSA-N 1 2 330.407 3.303 20 30 EGEDLO C=CC[N@H+](Cc1cnc(C2OCCO2)s1)Cc1ccc(OC)cc1 ZINC000289229977 456118974 /nfs/dbraw/zinc/11/89/74/456118974.db2.gz YMNAEHXDUGUXJL-UHFFFAOYSA-N 1 2 346.452 3.385 20 30 EGEDLO C=CC[N@@H+](Cc1cnc(C2OCCO2)s1)Cc1ccc(OC)cc1 ZINC000289229977 456118983 /nfs/dbraw/zinc/11/89/83/456118983.db2.gz YMNAEHXDUGUXJL-UHFFFAOYSA-N 1 2 346.452 3.385 20 30 EGEDLO COc1cc(C[N@H+](C)[C@@H](C)CC#N)cc(OC)c1OCC(F)F ZINC000289380257 456123520 /nfs/dbraw/zinc/12/35/20/456123520.db2.gz PXVHEOQYKSOLBH-NSHDSACASA-N 1 2 328.359 3.082 20 30 EGEDLO COc1cc(C[N@@H+](C)[C@@H](C)CC#N)cc(OC)c1OCC(F)F ZINC000289380257 456123522 /nfs/dbraw/zinc/12/35/22/456123522.db2.gz PXVHEOQYKSOLBH-NSHDSACASA-N 1 2 328.359 3.082 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289446343 456126198 /nfs/dbraw/zinc/12/61/98/456126198.db2.gz WZIRERDKWDYHOM-OALUTQOASA-N 1 2 335.407 3.047 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289446343 456126201 /nfs/dbraw/zinc/12/62/01/456126201.db2.gz WZIRERDKWDYHOM-OALUTQOASA-N 1 2 335.407 3.047 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(C(F)(F)F)ccc2F)C1=O ZINC000281147630 456146338 /nfs/dbraw/zinc/14/63/38/456146338.db2.gz FFJYDKGGUVGJSQ-AWEZNQCLSA-N 1 2 330.325 3.063 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(C(F)(F)F)ccc2F)C1=O ZINC000281147630 456146343 /nfs/dbraw/zinc/14/63/43/456146343.db2.gz FFJYDKGGUVGJSQ-AWEZNQCLSA-N 1 2 330.325 3.063 20 30 EGEDLO Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1[NH2+]CCCC(C)(C)C#N ZINC000281396138 456222672 /nfs/dbraw/zinc/22/26/72/456222672.db2.gz ZTUMTANVMLCTBU-QGZVFWFLSA-N 1 2 329.444 3.346 20 30 EGEDLO CC[C@H](CC#N)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000274680416 456263255 /nfs/dbraw/zinc/26/32/55/456263255.db2.gz WTDMOJKKQNFMTF-OAHLLOKOSA-N 1 2 335.411 3.416 20 30 EGEDLO CC[C@H](CC#N)NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000274684641 456263531 /nfs/dbraw/zinc/26/35/31/456263531.db2.gz XZLIAURYBZWRPZ-QWHCGFSZSA-N 1 2 335.477 3.189 20 30 EGEDLO CC[C@H](CC#N)NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000274684641 456263533 /nfs/dbraw/zinc/26/35/33/456263533.db2.gz XZLIAURYBZWRPZ-QWHCGFSZSA-N 1 2 335.477 3.189 20 30 EGEDLO C#CCSCCNc1cc(Nc2ccc(OC)cc2OC)nc[nH+]1 ZINC000302066708 456279106 /nfs/dbraw/zinc/27/91/06/456279106.db2.gz WKFUFBJKRATGHY-UHFFFAOYSA-N 1 2 344.440 3.016 20 30 EGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC000302073283 456279814 /nfs/dbraw/zinc/27/98/14/456279814.db2.gz VFIXDFIJYVAVLT-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO C[C@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)c1ncn(C)n1 ZINC000275775147 456310452 /nfs/dbraw/zinc/31/04/52/456310452.db2.gz HPTFRTLPIRCLDP-HNNXBMFYSA-N 1 2 347.422 3.117 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)Cc1ccc(CO)o1 ZINC000352817711 456332902 /nfs/dbraw/zinc/33/29/02/456332902.db2.gz RNILQYSNPMQDAN-QFBILLFUSA-N 1 2 348.487 3.187 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)Cc1ccc(CO)o1 ZINC000352817711 456332907 /nfs/dbraw/zinc/33/29/07/456332907.db2.gz RNILQYSNPMQDAN-QFBILLFUSA-N 1 2 348.487 3.187 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000352820212 456336145 /nfs/dbraw/zinc/33/61/45/456336145.db2.gz YXRKKMPINKJGIA-AWEZNQCLSA-N 1 2 346.402 3.316 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000352820212 456336151 /nfs/dbraw/zinc/33/61/51/456336151.db2.gz YXRKKMPINKJGIA-AWEZNQCLSA-N 1 2 346.402 3.316 20 30 EGEDLO CC(C)(C)n1ncnc1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000337235538 456339578 /nfs/dbraw/zinc/33/95/78/456339578.db2.gz AWFIXFZDTRKQEW-UHFFFAOYSA-N 1 2 327.432 3.005 20 30 EGEDLO COc1ccc([C@H](Nc2ccc(C)c(C#N)n2)c2[nH+]ccn2C)cc1 ZINC000302725150 456385287 /nfs/dbraw/zinc/38/52/87/456385287.db2.gz RLDUQBCLUDJUTQ-SFHVURJKSA-N 1 2 333.395 3.205 20 30 EGEDLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cccc(C#N)c1F ZINC000352879955 456386736 /nfs/dbraw/zinc/38/67/36/456386736.db2.gz BDJFSODDHSFZSK-UHFFFAOYSA-N 1 2 341.386 3.167 20 30 EGEDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cccc(C#N)c1F ZINC000352879955 456386740 /nfs/dbraw/zinc/38/67/40/456386740.db2.gz BDJFSODDHSFZSK-UHFFFAOYSA-N 1 2 341.386 3.167 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)NC(C1CC1)C1CC1)Cc1cnn(C(C)C)c1 ZINC000352904254 456403922 /nfs/dbraw/zinc/40/39/22/456403922.db2.gz UQKCALSVBSJJJU-UHFFFAOYSA-N 1 2 344.503 3.147 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)NC(C1CC1)C1CC1)Cc1cnn(C(C)C)c1 ZINC000352904254 456403931 /nfs/dbraw/zinc/40/39/31/456403931.db2.gz UQKCALSVBSJJJU-UHFFFAOYSA-N 1 2 344.503 3.147 20 30 EGEDLO Cc1cc(C(F)(F)F)c(C#N)c(SCC[N@@H+]2CCO[C@@H](C)C2)n1 ZINC000298258330 456406203 /nfs/dbraw/zinc/40/62/03/456406203.db2.gz KOIUZAGAOCZIIT-NSHDSACASA-N 1 2 345.390 3.093 20 30 EGEDLO Cc1cc(C(F)(F)F)c(C#N)c(SCC[N@H+]2CCO[C@@H](C)C2)n1 ZINC000298258330 456406207 /nfs/dbraw/zinc/40/62/07/456406207.db2.gz KOIUZAGAOCZIIT-NSHDSACASA-N 1 2 345.390 3.093 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)N1CCC[C@@H](C)C1)Cc1cnn(C(C)C)c1 ZINC000352951508 456422156 /nfs/dbraw/zinc/42/21/56/456422156.db2.gz OQEWWTXCEXJZFN-QGZVFWFLSA-N 1 2 332.492 3.101 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)N1CCC[C@@H](C)C1)Cc1cnn(C(C)C)c1 ZINC000352951508 456422160 /nfs/dbraw/zinc/42/21/60/456422160.db2.gz OQEWWTXCEXJZFN-QGZVFWFLSA-N 1 2 332.492 3.101 20 30 EGEDLO N#Cc1ccc(C[NH2+]Cc2cc(F)c(F)cc2Br)o1 ZINC000353093617 456486047 /nfs/dbraw/zinc/48/60/47/456486047.db2.gz HQCYCWCFOQHJOS-UHFFFAOYSA-N 1 2 327.128 3.482 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](COC(F)F)C2)c1C ZINC000353007954 456441627 /nfs/dbraw/zinc/44/16/27/456441627.db2.gz LWYRPYKYODWSHW-CQSZACIVSA-N 1 2 326.387 3.035 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](COC(F)F)C2)c1C ZINC000353007954 456441633 /nfs/dbraw/zinc/44/16/33/456441633.db2.gz LWYRPYKYODWSHW-CQSZACIVSA-N 1 2 326.387 3.035 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000298634153 456504801 /nfs/dbraw/zinc/50/48/01/456504801.db2.gz MRTYDNFPMLHNTQ-AAEUAGOBSA-N 1 2 325.334 3.160 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000298634153 456504804 /nfs/dbraw/zinc/50/48/04/456504804.db2.gz MRTYDNFPMLHNTQ-AAEUAGOBSA-N 1 2 325.334 3.160 20 30 EGEDLO N#CCc1ccc(OC[C@@H](O)Cn2cc[nH+]c2-c2ccccc2)cc1 ZINC000304338717 456508596 /nfs/dbraw/zinc/50/85/96/456508596.db2.gz WMJYMQWMPVXYIN-SFHVURJKSA-N 1 2 333.391 3.056 20 30 EGEDLO N#Cc1cc(NC(=O)c2ccc3[nH+]ccn3c2)ccc1OC(F)(F)F ZINC000337729310 456509899 /nfs/dbraw/zinc/50/98/99/456509899.db2.gz CPVVRZACBMHYQK-UHFFFAOYSA-N 1 2 346.268 3.357 20 30 EGEDLO CC[C@H](Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1)c1ccc(C#N)cc1 ZINC000291226887 456571706 /nfs/dbraw/zinc/57/17/06/456571706.db2.gz PJAHNEUZHMVDGT-FQEVSTJZSA-N 1 2 348.450 3.053 20 30 EGEDLO CC[C@H](Nc1cccc(C[N@H+]2CCNC(=O)C2)c1)c1ccc(C#N)cc1 ZINC000291226887 456571708 /nfs/dbraw/zinc/57/17/08/456571708.db2.gz PJAHNEUZHMVDGT-FQEVSTJZSA-N 1 2 348.450 3.053 20 30 EGEDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000348537540 456746927 /nfs/dbraw/zinc/74/69/27/456746927.db2.gz WNPNQNLHLZDFPX-UHFFFAOYSA-N 1 2 331.379 3.297 20 30 EGEDLO O=C(Nc1ccc(C(F)(F)F)nc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000328853688 456776553 /nfs/dbraw/zinc/77/65/53/456776553.db2.gz CEGAZDSJNVSANA-UHFFFAOYSA-N 1 2 339.321 3.249 20 30 EGEDLO O=C(Nc1ccc(C(F)(F)F)nc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000328853688 456776559 /nfs/dbraw/zinc/77/65/59/456776559.db2.gz CEGAZDSJNVSANA-UHFFFAOYSA-N 1 2 339.321 3.249 20 30 EGEDLO O=C(C[N@@H+]1CCOCC12CCCC2)Nc1ccc2c(c1)OCCCO2 ZINC000328938466 456795841 /nfs/dbraw/zinc/79/58/41/456795841.db2.gz RPGBMKHTIBMMMC-UHFFFAOYSA-N 1 2 346.427 3.081 20 30 EGEDLO O=C(C[N@H+]1CCOCC12CCCC2)Nc1ccc2c(c1)OCCCO2 ZINC000328938466 456795844 /nfs/dbraw/zinc/79/58/44/456795844.db2.gz RPGBMKHTIBMMMC-UHFFFAOYSA-N 1 2 346.427 3.081 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cnc2ccc(C)cn12 ZINC000348641973 456796322 /nfs/dbraw/zinc/79/63/22/456796322.db2.gz JZVJQHWZXPLBHZ-UHFFFAOYSA-N 1 2 325.412 3.306 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cnc2ccc(C)cn12 ZINC000348641973 456796332 /nfs/dbraw/zinc/79/63/32/456796332.db2.gz JZVJQHWZXPLBHZ-UHFFFAOYSA-N 1 2 325.412 3.306 20 30 EGEDLO C=C(C)CN(Cc1ccc(CO)o1)Cc1c[nH+]c2ccc(C)cn12 ZINC000348641973 456796337 /nfs/dbraw/zinc/79/63/37/456796337.db2.gz JZVJQHWZXPLBHZ-UHFFFAOYSA-N 1 2 325.412 3.306 20 30 EGEDLO Cc1cc(NC(=O)N2CCC(=O)[C@@H](C)C2)c[nH+]c1N1CCCC[C@H]1C ZINC000328966033 456802982 /nfs/dbraw/zinc/80/29/82/456802982.db2.gz MQAINAYKTNYORV-LSDHHAIUSA-N 1 2 344.459 3.225 20 30 EGEDLO O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328999189 456810149 /nfs/dbraw/zinc/81/01/49/456810149.db2.gz VHBLUPGBEYACIV-RYRKJORJSA-N 1 2 325.412 3.180 20 30 EGEDLO Cc1noc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(F)cc3F)C2)n1 ZINC000329013865 456814048 /nfs/dbraw/zinc/81/40/48/456814048.db2.gz FNRILIPSQGKGIG-KOLCDFICSA-N 1 2 336.342 3.122 20 30 EGEDLO Cc1noc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc(F)cc3F)C2)n1 ZINC000329013865 456814052 /nfs/dbraw/zinc/81/40/52/456814052.db2.gz FNRILIPSQGKGIG-KOLCDFICSA-N 1 2 336.342 3.122 20 30 EGEDLO Cc1noc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cc(F)ccc3F)C2)n1 ZINC000329021249 456815253 /nfs/dbraw/zinc/81/52/53/456815253.db2.gz HXRMNVPGBLLHGN-ONGXEEELSA-N 1 2 336.342 3.122 20 30 EGEDLO Cc1noc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cc(F)ccc3F)C2)n1 ZINC000329021249 456815257 /nfs/dbraw/zinc/81/52/57/456815257.db2.gz HXRMNVPGBLLHGN-ONGXEEELSA-N 1 2 336.342 3.122 20 30 EGEDLO Cc1noc([C@H]2CC[N@H+](CC(=O)Nc3cc(Cl)ccc3C)C2)n1 ZINC000329039212 456820228 /nfs/dbraw/zinc/82/02/28/456820228.db2.gz NVAIEYBFSPGLII-LBPRGKRZSA-N 1 2 334.807 3.417 20 30 EGEDLO Cc1noc([C@H]2CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3C)C2)n1 ZINC000329039212 456820235 /nfs/dbraw/zinc/82/02/35/456820235.db2.gz NVAIEYBFSPGLII-LBPRGKRZSA-N 1 2 334.807 3.417 20 30 EGEDLO C[C@@H]1CC[C@H](CCC(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)O1 ZINC000329048238 456822655 /nfs/dbraw/zinc/82/26/55/456822655.db2.gz KCPFNDNXOVXYBW-UNEWFSDZSA-N 1 2 335.448 3.192 20 30 EGEDLO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000329067058 456827904 /nfs/dbraw/zinc/82/79/04/456827904.db2.gz LSNRFGGVPNQDGK-APWZRJJASA-N 1 2 336.476 3.103 20 30 EGEDLO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000329067058 456827910 /nfs/dbraw/zinc/82/79/10/456827910.db2.gz LSNRFGGVPNQDGK-APWZRJJASA-N 1 2 336.476 3.103 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)[C@H](C)C1CCOCC1)C1CCOCC1 ZINC000329080761 456831281 /nfs/dbraw/zinc/83/12/81/456831281.db2.gz RIRRLBOGZNROLC-RHSMWYFYSA-N 1 2 349.475 3.390 20 30 EGEDLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329094852 456833959 /nfs/dbraw/zinc/83/39/59/456833959.db2.gz XSINAIHSSLFUJJ-HNAYVOBHSA-N 1 2 332.444 3.107 20 30 EGEDLO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329094852 456833965 /nfs/dbraw/zinc/83/39/65/456833965.db2.gz XSINAIHSSLFUJJ-HNAYVOBHSA-N 1 2 332.444 3.107 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CC[S@](=O)C[C@H](C)C2)cc1Cl ZINC000277477289 456838566 /nfs/dbraw/zinc/83/85/66/456838566.db2.gz MMFVHFIBDZHAQW-ASSNKEHSSA-N 1 2 327.877 3.105 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CC[S@](=O)C[C@H](C)C2)cc1Cl ZINC000277477289 456838572 /nfs/dbraw/zinc/83/85/72/456838572.db2.gz MMFVHFIBDZHAQW-ASSNKEHSSA-N 1 2 327.877 3.105 20 30 EGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1ccc(C#N)c(C)n1 ZINC000292051995 456842344 /nfs/dbraw/zinc/84/23/44/456842344.db2.gz WCUIEOUSRDBUAH-UHFFFAOYSA-N 1 2 335.455 3.400 20 30 EGEDLO C[C@@H]1CCC[C@H](NC(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CC1 ZINC000329161185 456845339 /nfs/dbraw/zinc/84/53/39/456845339.db2.gz FEZHDNRGHAVFTP-HYVNUMGLSA-N 1 2 348.491 3.360 20 30 EGEDLO O=C(N[C@@H]1CCOc2c(F)cccc21)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329252412 456861170 /nfs/dbraw/zinc/86/11/70/456861170.db2.gz VLEPOAVKJOFQFL-IAGOWNOFSA-N 1 2 348.418 3.249 20 30 EGEDLO O=C(N[C@@H]1CCOc2c(F)cccc21)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329252412 456861175 /nfs/dbraw/zinc/86/11/75/456861175.db2.gz VLEPOAVKJOFQFL-IAGOWNOFSA-N 1 2 348.418 3.249 20 30 EGEDLO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329259633 456863579 /nfs/dbraw/zinc/86/35/79/456863579.db2.gz FLNFUJJUCKOIFC-DZGCQCFKSA-N 1 2 344.846 3.334 20 30 EGEDLO CC[C@]1(C)CCCN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)C1 ZINC000329322671 456872616 /nfs/dbraw/zinc/87/26/16/456872616.db2.gz JNUFZXXBCXNIGB-VQIMIIECSA-N 1 2 348.491 3.314 20 30 EGEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1CC(=O)N[C@@H](C)C1 ZINC000329340002 456875606 /nfs/dbraw/zinc/87/56/06/456875606.db2.gz OBZNSVPRNOZJPF-GOEBONIOSA-N 1 2 345.443 3.170 20 30 EGEDLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329343556 456876420 /nfs/dbraw/zinc/87/64/20/456876420.db2.gz QCULKMOTHAASCG-HYVNUMGLSA-N 1 2 348.491 3.312 20 30 EGEDLO C=CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)c1nc2c(s1)CCCC2 ZINC000329423470 456888551 /nfs/dbraw/zinc/88/85/51/456888551.db2.gz GDUDCGZRGYONLM-CYBMUJFWSA-N 1 2 342.468 3.000 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CCOCC2(CC2)C1 ZINC000329453433 456892811 /nfs/dbraw/zinc/89/28/11/456892811.db2.gz MKRZBYMYZPFQDN-GFCCVEGCSA-N 1 2 340.370 3.377 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CCOCC2(CC2)C1 ZINC000329453433 456892817 /nfs/dbraw/zinc/89/28/17/456892817.db2.gz MKRZBYMYZPFQDN-GFCCVEGCSA-N 1 2 340.370 3.377 20 30 EGEDLO CCN1CCOC[C@@H]1C(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000329519463 456903013 /nfs/dbraw/zinc/90/30/13/456903013.db2.gz QBHYHJYDMCQURF-DOTOQJQBSA-N 1 2 346.475 3.078 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]2C[C@@]23CCOC3)C[C@H](C)O1 ZINC000329681867 456927121 /nfs/dbraw/zinc/92/71/21/456927121.db2.gz XCJGBLCKTUMOPW-NVALYEJGSA-N 1 2 344.455 3.310 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]2C[C@@]23CCOC3)C[C@H](C)O1 ZINC000329681867 456927125 /nfs/dbraw/zinc/92/71/25/456927125.db2.gz XCJGBLCKTUMOPW-NVALYEJGSA-N 1 2 344.455 3.310 20 30 EGEDLO Cc1ccccc1[C@@H]1C[C@H](C)N(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329742533 456934390 /nfs/dbraw/zinc/93/43/90/456934390.db2.gz WPXFXMHJULMDFJ-ARFHVFGLSA-N 1 2 338.455 3.367 20 30 EGEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+]CC[C@@H]2CCO[C@H](C)C2)C1 ZINC000329754357 456935648 /nfs/dbraw/zinc/93/56/48/456935648.db2.gz KSMZPZFRNUKWQB-BRWVUGGUSA-N 1 2 348.491 3.202 20 30 EGEDLO C[N@@H+](Cc1c(F)cccc1OC(F)(F)F)C[C@H](O)C(F)(F)F ZINC000349366132 456953892 /nfs/dbraw/zinc/95/38/92/456953892.db2.gz IZTAXWQLMRPPAT-JTQLQIEISA-N 1 2 335.219 3.079 20 30 EGEDLO C[N@H+](Cc1c(F)cccc1OC(F)(F)F)C[C@H](O)C(F)(F)F ZINC000349366132 456953894 /nfs/dbraw/zinc/95/38/94/456953894.db2.gz IZTAXWQLMRPPAT-JTQLQIEISA-N 1 2 335.219 3.079 20 30 EGEDLO O=C(NC[C@@H]1CCC2(CCCCC2)O1)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000330024270 456976049 /nfs/dbraw/zinc/97/60/49/456976049.db2.gz AFRHOPPCJKVZCB-HOTGVXAUSA-N 1 2 346.475 3.146 20 30 EGEDLO N#CCc1cccc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000341883382 456985943 /nfs/dbraw/zinc/98/59/43/456985943.db2.gz FDUZQQVJCAYIPG-UHFFFAOYSA-N 1 2 336.439 3.282 20 30 EGEDLO CC(C)[C@H]1N(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC12CCC2 ZINC000330193178 456999825 /nfs/dbraw/zinc/99/98/25/456999825.db2.gz YJXLGDDGHAJKIW-QGZVFWFLSA-N 1 2 330.476 3.186 20 30 EGEDLO C=CCN(Cc1ccccc1)C(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000339242586 457012946 /nfs/dbraw/zinc/01/29/46/457012946.db2.gz MFZMKOAXSJERMN-RTBURBONSA-N 1 2 330.472 3.091 20 30 EGEDLO C=CCN(Cc1ccccc1)C(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000339242586 457012951 /nfs/dbraw/zinc/01/29/51/457012951.db2.gz MFZMKOAXSJERMN-RTBURBONSA-N 1 2 330.472 3.091 20 30 EGEDLO O=C(C[NH+]1CCC(c2ccncc2)CC1)Nc1nc2c(s1)CCC2 ZINC000330264397 457016473 /nfs/dbraw/zinc/01/64/73/457016473.db2.gz XWPGEITWLBYZIC-UHFFFAOYSA-N 1 2 342.468 3.494 20 30 EGEDLO [O-]C(=[NH+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330335368 457030471 /nfs/dbraw/zinc/03/04/71/457030471.db2.gz YZUAOGHDHYZCAK-SPUZQDLCSA-N 1 2 336.439 3.089 20 30 EGEDLO O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330335368 457030474 /nfs/dbraw/zinc/03/04/74/457030474.db2.gz YZUAOGHDHYZCAK-SPUZQDLCSA-N 1 2 336.439 3.089 20 30 EGEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCSC2(CCCCC2)C1 ZINC000330359464 457035300 /nfs/dbraw/zinc/03/53/00/457035300.db2.gz WBFTXJOHXMNNCD-UHFFFAOYSA-N 1 2 348.516 3.385 20 30 EGEDLO C=CC[C@H](CC)NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000346423020 457043314 /nfs/dbraw/zinc/04/33/14/457043314.db2.gz YODCPZMHMIZQAG-OALUTQOASA-N 1 2 345.487 3.022 20 30 EGEDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1C(F)(F)F ZINC000341990456 457045650 /nfs/dbraw/zinc/04/56/50/457045650.db2.gz CMMXNLPPVKVMBN-BDJLRTHQSA-N 1 2 347.340 3.454 20 30 EGEDLO CCOC(=O)c1coc(CNc2[nH+]cccc2OCCCC#N)c1 ZINC000359303293 457073293 /nfs/dbraw/zinc/07/32/93/457073293.db2.gz JKNAEKGMLKSJAA-UHFFFAOYSA-N 1 2 329.356 3.146 20 30 EGEDLO C=CC1CCN(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)CC1 ZINC000362759697 457081142 /nfs/dbraw/zinc/08/11/42/457081142.db2.gz QNZKTESBEUWRKW-KRWDZBQOSA-N 1 2 342.418 3.256 20 30 EGEDLO CC[C@](C)(CO)NC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000330789436 457085443 /nfs/dbraw/zinc/08/54/43/457085443.db2.gz ZOJAMOZISCTRNW-RDTXWAMCSA-N 1 2 334.464 3.065 20 30 EGEDLO COc1cc(C#N)ccc1C[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000339443993 457123267 /nfs/dbraw/zinc/12/32/67/457123267.db2.gz DJEYXAJDNCMXSG-MRXNPFEDSA-N 1 2 342.361 3.499 20 30 EGEDLO COc1cc(C#N)ccc1C[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000339443993 457123273 /nfs/dbraw/zinc/12/32/73/457123273.db2.gz DJEYXAJDNCMXSG-MRXNPFEDSA-N 1 2 342.361 3.499 20 30 EGEDLO C=CC[C@@H](CC)NC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000359936942 457157853 /nfs/dbraw/zinc/15/78/53/457157853.db2.gz YYZVAYPVQMPJBJ-IUODEOHRSA-N 1 2 325.403 3.221 20 30 EGEDLO Cc1cc(NC(=O)NC[C@H](C)[NH+]2CCOCC2)cc(C)c1Cl ZINC000331283175 457160099 /nfs/dbraw/zinc/16/00/99/457160099.db2.gz WCPQDCHXTZGPKB-ZDUSSCGKSA-N 1 2 325.840 3.003 20 30 EGEDLO Cc1ccc(C[N@H+](CC(=O)NC2(C#N)CCC2)Cc2ccco2)s1 ZINC000346834871 457181430 /nfs/dbraw/zinc/18/14/30/457181430.db2.gz YKFJZDISQDWSNL-UHFFFAOYSA-N 1 2 343.452 3.214 20 30 EGEDLO Cc1ccc(C[N@@H+](CC(=O)NC2(C#N)CCC2)Cc2ccco2)s1 ZINC000346834871 457181435 /nfs/dbraw/zinc/18/14/35/457181435.db2.gz YKFJZDISQDWSNL-UHFFFAOYSA-N 1 2 343.452 3.214 20 30 EGEDLO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000355274681 457353297 /nfs/dbraw/zinc/35/32/97/457353297.db2.gz YFUOJTMGKMVQSK-INIZCTEOSA-N 1 2 349.434 3.048 20 30 EGEDLO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000355274681 457353302 /nfs/dbraw/zinc/35/33/02/457353302.db2.gz YFUOJTMGKMVQSK-INIZCTEOSA-N 1 2 349.434 3.048 20 30 EGEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cncs2)CC1 ZINC000355295904 457354960 /nfs/dbraw/zinc/35/49/60/457354960.db2.gz WWKXZBYCQJMBHJ-MRXNPFEDSA-N 1 2 332.860 3.179 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1cc(C#N)ccc1C ZINC000355364837 457365690 /nfs/dbraw/zinc/36/56/90/457365690.db2.gz DRRFZQPZEOTHQV-UHFFFAOYSA-N 1 2 340.333 3.442 20 30 EGEDLO Cc1sc2nc([C@H](C)[NH+]3CCC(F)(C#N)CC3)nc(N)c2c1C ZINC000352441853 457369824 /nfs/dbraw/zinc/36/98/24/457369824.db2.gz FIQRAYBOSSBSBI-JTQLQIEISA-N 1 2 333.436 3.279 20 30 EGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CCC(F)(F)F ZINC000355446366 457374560 /nfs/dbraw/zinc/37/45/60/457374560.db2.gz YLRCJBOYAKVOSK-LBPRGKRZSA-N 1 2 345.340 3.345 20 30 EGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CCC(F)(F)F ZINC000355446366 457374565 /nfs/dbraw/zinc/37/45/65/457374565.db2.gz YLRCJBOYAKVOSK-LBPRGKRZSA-N 1 2 345.340 3.345 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(F)(C#N)CC1 ZINC000352485567 457406656 /nfs/dbraw/zinc/40/66/56/457406656.db2.gz ZUJJNMSHFOTNFX-NSHDSACASA-N 1 2 343.324 3.360 20 30 EGEDLO C=CCN(CCc1ccco1)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000378525598 457407680 /nfs/dbraw/zinc/40/76/80/457407680.db2.gz YVNHGCVKLOCKSG-MRXNPFEDSA-N 1 2 342.443 3.102 20 30 EGEDLO C[N@@H+]1CCc2nc(NC(=O)C[C@@H](CC#N)c3ccccc3)sc2C1 ZINC000369861968 457435402 /nfs/dbraw/zinc/43/54/02/457435402.db2.gz HTNDCXZQZDBVBR-CQSZACIVSA-N 1 2 340.452 3.157 20 30 EGEDLO C[N@H+]1CCc2nc(NC(=O)C[C@@H](CC#N)c3ccccc3)sc2C1 ZINC000369861968 457435407 /nfs/dbraw/zinc/43/54/07/457435407.db2.gz HTNDCXZQZDBVBR-CQSZACIVSA-N 1 2 340.452 3.157 20 30 EGEDLO Cc1cc(C)c(C#N)c(NC[C@H](c2ccccc2)[NH+]2CCOCC2)n1 ZINC000357325151 457446729 /nfs/dbraw/zinc/44/67/29/457446729.db2.gz UAIYIVYCJLQCJL-LJQANCHMSA-N 1 2 336.439 3.056 20 30 EGEDLO Cc1ccc(CNC(=O)C2CCN(c3cc(C)[nH+]cc3C#N)CC2)cc1 ZINC000425225892 457465061 /nfs/dbraw/zinc/46/50/61/457465061.db2.gz GQBPTXQZAYEOQZ-UHFFFAOYSA-N 1 2 348.450 3.103 20 30 EGEDLO Cc1cc(N2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)c(C#N)c[nH+]1 ZINC000425254238 457472218 /nfs/dbraw/zinc/47/22/18/457472218.db2.gz MUEIZYYZDFWBLD-GFCCVEGCSA-N 1 2 349.360 3.398 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(I)cc2)C1 ZINC000397565091 457487524 /nfs/dbraw/zinc/48/75/24/457487524.db2.gz CEFSYZBWTNBPAV-LBPRGKRZSA-N 1 2 340.208 3.417 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccc(I)cc2)C1 ZINC000397565091 457487533 /nfs/dbraw/zinc/48/75/33/457487533.db2.gz CEFSYZBWTNBPAV-LBPRGKRZSA-N 1 2 340.208 3.417 20 30 EGEDLO C=C(CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1 ZINC000352755775 457584858 /nfs/dbraw/zinc/58/48/58/457584858.db2.gz BJIWJJAFHUFYMJ-UHFFFAOYSA-N 1 2 333.395 3.161 20 30 EGEDLO CC(C)(C#N)c1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000356380899 457595837 /nfs/dbraw/zinc/59/58/37/457595837.db2.gz CMBYEMMHSCGXRE-GOSISDBHSA-N 1 2 335.407 3.176 20 30 EGEDLO N#CC[C@H](CC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000356410319 457613051 /nfs/dbraw/zinc/61/30/51/457613051.db2.gz PTYUPOKBKRPHDN-MJGOQNOKSA-N 1 2 335.407 3.149 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000370439385 457647905 /nfs/dbraw/zinc/64/79/05/457647905.db2.gz ANHATYRTPLYHLD-GOSISDBHSA-N 1 2 339.439 3.403 20 30 EGEDLO C=C(C)[C@H](NC(=O)NCCNc1cccc[nH+]1)c1ccc(F)c(F)c1 ZINC000357706965 457664086 /nfs/dbraw/zinc/66/40/86/457664086.db2.gz JIWBVKBLUPPCPS-KRWDZBQOSA-N 1 2 346.381 3.388 20 30 EGEDLO Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCC[N@@H+]1CCCC#N ZINC000364726664 457681035 /nfs/dbraw/zinc/68/10/35/457681035.db2.gz YHUQCXUGSMGQLK-SFHVURJKSA-N 1 2 342.418 3.305 20 30 EGEDLO Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCC[N@H+]1CCCC#N ZINC000364726664 457681036 /nfs/dbraw/zinc/68/10/36/457681036.db2.gz YHUQCXUGSMGQLK-SFHVURJKSA-N 1 2 342.418 3.305 20 30 EGEDLO CC(C)(C)C1CCC(C#N)(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000364948312 457719282 /nfs/dbraw/zinc/71/92/82/457719282.db2.gz KNIRNPJLYGMQHW-XVTSOASTSA-N 1 2 328.460 3.060 20 30 EGEDLO C=C(C)[C@H](CC(=O)N1CC[NH2+][C@H](c2ccccc2Cl)C1)OCC ZINC000374866801 457723410 /nfs/dbraw/zinc/72/34/10/457723410.db2.gz AROZJGUKEZLUTE-IRXDYDNUSA-N 1 2 336.863 3.184 20 30 EGEDLO C=CC[N@@H+](CCc1ccccc1)[C@@H](C)c1nnnn1-c1ccccc1 ZINC000411196068 457826700 /nfs/dbraw/zinc/82/67/00/457826700.db2.gz IVWUANWMIKPITK-KRWDZBQOSA-N 1 2 333.439 3.454 20 30 EGEDLO C=CC[N@H+](CCc1ccccc1)[C@@H](C)c1nnnn1-c1ccccc1 ZINC000411196068 457826702 /nfs/dbraw/zinc/82/67/02/457826702.db2.gz IVWUANWMIKPITK-KRWDZBQOSA-N 1 2 333.439 3.454 20 30 EGEDLO CC(C)C[N@H+](Cc1ccc(S(C)(=O)=O)o1)Cc1ccc(C#N)cc1 ZINC000411211165 457831425 /nfs/dbraw/zinc/83/14/25/457831425.db2.gz XALUUVUNZWYGJM-UHFFFAOYSA-N 1 2 346.452 3.213 20 30 EGEDLO CC(C)C[N@@H+](Cc1ccc(S(C)(=O)=O)o1)Cc1ccc(C#N)cc1 ZINC000411211165 457831431 /nfs/dbraw/zinc/83/14/31/457831431.db2.gz XALUUVUNZWYGJM-UHFFFAOYSA-N 1 2 346.452 3.213 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H](O)c3ccc(Cl)cc3)CCO2)c1 ZINC000371293132 457851035 /nfs/dbraw/zinc/85/10/35/457851035.db2.gz TZSZSIHTVYMESQ-MOPGFXCFSA-N 1 2 342.826 3.319 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H](O)c3ccc(Cl)cc3)CCO2)c1 ZINC000371293132 457851041 /nfs/dbraw/zinc/85/10/41/457851041.db2.gz TZSZSIHTVYMESQ-MOPGFXCFSA-N 1 2 342.826 3.319 20 30 EGEDLO C[C@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)Cn1cc[nH+]c1 ZINC000444256054 457875387 /nfs/dbraw/zinc/87/53/87/457875387.db2.gz HSBCJKHKWDQUGQ-MRXNPFEDSA-N 1 2 349.438 3.208 20 30 EGEDLO COc1ccc2c(c1OC)CC[N@@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC000361869307 457918838 /nfs/dbraw/zinc/91/88/38/457918838.db2.gz SRGIYBBWHKJBBN-UHFFFAOYSA-N 1 2 326.371 3.273 20 30 EGEDLO COc1ccc2c(c1OC)CC[N@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC000361869307 457918843 /nfs/dbraw/zinc/91/88/43/457918843.db2.gz SRGIYBBWHKJBBN-UHFFFAOYSA-N 1 2 326.371 3.273 20 30 EGEDLO COc1cccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1OC ZINC000371464024 457944605 /nfs/dbraw/zinc/94/46/05/457944605.db2.gz NMUIYLPILOHFDZ-IBGZPJMESA-N 1 2 338.407 3.149 20 30 EGEDLO COc1cccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1OC ZINC000371464024 457944608 /nfs/dbraw/zinc/94/46/08/457944608.db2.gz NMUIYLPILOHFDZ-IBGZPJMESA-N 1 2 338.407 3.149 20 30 EGEDLO N#CC1(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)CCCCC1 ZINC000361928808 457960705 /nfs/dbraw/zinc/96/07/05/457960705.db2.gz XEVHHEUNBQAWJX-UHFFFAOYSA-N 1 2 345.874 3.458 20 30 EGEDLO N#Cc1cccc(C2(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000435162816 458098019 /nfs/dbraw/zinc/09/80/19/458098019.db2.gz PVHXFXYCHMQUMC-UHFFFAOYSA-N 1 2 328.375 3.414 20 30 EGEDLO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCc3ncsc3C2)cc1 ZINC000445857029 458102160 /nfs/dbraw/zinc/10/21/60/458102160.db2.gz WKOSTHVDUJLHDE-UHFFFAOYSA-N 1 2 338.354 3.452 20 30 EGEDLO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCc3ncsc3C2)cc1 ZINC000445857029 458102163 /nfs/dbraw/zinc/10/21/63/458102163.db2.gz WKOSTHVDUJLHDE-UHFFFAOYSA-N 1 2 338.354 3.452 20 30 EGEDLO C=CCn1cccc1C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000412328108 458169523 /nfs/dbraw/zinc/16/95/23/458169523.db2.gz GFQFPSXECMLLCF-UHFFFAOYSA-N 1 2 334.423 3.368 20 30 EGEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1nc2cc(Cl)ccn2c1C#N ZINC000376392605 458287468 /nfs/dbraw/zinc/28/74/68/458287468.db2.gz VRRASKGOKXBKNP-UHFFFAOYSA-N 1 2 340.818 3.029 20 30 EGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCC(C)(C)CC#N)CC1 ZINC000459250082 458301915 /nfs/dbraw/zinc/30/19/15/458301915.db2.gz ZJAIQOJVZIXHDJ-CQSZACIVSA-N 1 2 334.489 3.076 20 30 EGEDLO N#CC1(CCS(=O)(=O)Cc2cn3ccccc3[nH+]2)CCCCC1 ZINC000414403806 458318630 /nfs/dbraw/zinc/31/86/30/458318630.db2.gz AYZVUTSHETZMNY-UHFFFAOYSA-N 1 2 331.441 3.113 20 30 EGEDLO C=CCOc1ccc(C[NH2+]Cc2nnc(C3CC3)s2)cc1OC ZINC000414549529 458324299 /nfs/dbraw/zinc/32/42/99/458324299.db2.gz AVSOTHPVDWDYQN-UHFFFAOYSA-N 1 2 331.441 3.279 20 30 EGEDLO N#Cc1c(C[NH+]2CCC(C#N)(c3ccccn3)CC2)cn2ccccc12 ZINC000376595535 458348748 /nfs/dbraw/zinc/34/87/48/458348748.db2.gz OJAVPTSQXMRBAH-UHFFFAOYSA-N 1 2 341.418 3.263 20 30 EGEDLO C=CCC1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCCC1 ZINC000449078446 458419222 /nfs/dbraw/zinc/41/92/22/458419222.db2.gz XNKHZJZEYPXDOY-IBGZPJMESA-N 1 2 342.483 3.140 20 30 EGEDLO C=CCC1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCC1 ZINC000449078446 458419232 /nfs/dbraw/zinc/41/92/32/458419232.db2.gz XNKHZJZEYPXDOY-IBGZPJMESA-N 1 2 342.483 3.140 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@H+](Cc3cscn3)CC2)CCCC1 ZINC000449837664 458432488 /nfs/dbraw/zinc/43/24/88/458432488.db2.gz YRROOAQRYZTOJY-UHFFFAOYSA-N 1 2 333.501 3.314 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@@H+](Cc3cscn3)CC2)CCCC1 ZINC000449837664 458432492 /nfs/dbraw/zinc/43/24/92/458432492.db2.gz YRROOAQRYZTOJY-UHFFFAOYSA-N 1 2 333.501 3.314 20 30 EGEDLO C=CC[N@@H+](CCc1c(Cl)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000450549687 458451961 /nfs/dbraw/zinc/45/19/61/458451961.db2.gz CCFNUCKEWDMKOM-LBPRGKRZSA-N 1 2 348.295 3.211 20 30 EGEDLO C=CC[N@H+](CCc1c(Cl)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000450549687 458451963 /nfs/dbraw/zinc/45/19/63/458451963.db2.gz CCFNUCKEWDMKOM-LBPRGKRZSA-N 1 2 348.295 3.211 20 30 EGEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C2 ZINC000377771135 458520544 /nfs/dbraw/zinc/52/05/44/458520544.db2.gz FDERSNYVEGRYNA-UHFFFAOYSA-N 1 2 347.418 3.053 20 30 EGEDLO COc1ccc2c(c1)C1(CC1)C[N@H+](CC(=O)Nc1ccc(C#N)cc1)C2 ZINC000377771135 458520551 /nfs/dbraw/zinc/52/05/51/458520551.db2.gz FDERSNYVEGRYNA-UHFFFAOYSA-N 1 2 347.418 3.053 20 30 EGEDLO C=C(C)CCNC(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000455330689 458594047 /nfs/dbraw/zinc/59/40/47/458594047.db2.gz VMZXWZDNOWFFEM-MRXNPFEDSA-N 1 2 326.444 3.485 20 30 EGEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)[C@H](CC)CN1C(C)=O ZINC000439440549 458702028 /nfs/dbraw/zinc/70/20/28/458702028.db2.gz INPJKKUZKKBMLG-IAGOWNOFSA-N 1 2 333.863 3.433 20 30 EGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)[C@H](CC)CN1C(C)=O ZINC000439440549 458702035 /nfs/dbraw/zinc/70/20/35/458702035.db2.gz INPJKKUZKKBMLG-IAGOWNOFSA-N 1 2 333.863 3.433 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000424719409 458717796 /nfs/dbraw/zinc/71/77/96/458717796.db2.gz JVNIWNORPKWXFF-UHFFFAOYSA-N 1 2 336.233 3.315 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c1C ZINC000494705421 458733629 /nfs/dbraw/zinc/73/36/29/458733629.db2.gz ZGGSXZUMKKYRKL-GOSISDBHSA-N 1 2 330.472 3.365 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](OCC3CC3)C2)c1C ZINC000494705421 458733633 /nfs/dbraw/zinc/73/36/33/458733633.db2.gz ZGGSXZUMKKYRKL-GOSISDBHSA-N 1 2 330.472 3.365 20 30 EGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)CC(C)(C)C#N)n2)C1 ZINC000432629851 458765326 /nfs/dbraw/zinc/76/53/26/458765326.db2.gz BHHZASVWEQZDHA-CYBMUJFWSA-N 1 2 349.504 3.388 20 30 EGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)CC(C)(C)C#N)n2)C1 ZINC000432629851 458765330 /nfs/dbraw/zinc/76/53/30/458765330.db2.gz BHHZASVWEQZDHA-CYBMUJFWSA-N 1 2 349.504 3.388 20 30 EGEDLO CC1(C)CCCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)[C@@H]1C#N ZINC000514636737 458799791 /nfs/dbraw/zinc/79/97/91/458799791.db2.gz FPNJJIFAKCMNNF-GOSISDBHSA-N 1 2 336.439 3.015 20 30 EGEDLO C=C[C@@H](CC(=O)NCC1CC[NH+](CC(F)F)CC1)c1ccccc1 ZINC000514693207 458800482 /nfs/dbraw/zinc/80/04/82/458800482.db2.gz KKEPSFPFBADRTH-INIZCTEOSA-N 1 2 336.426 3.440 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000516192895 458815060 /nfs/dbraw/zinc/81/50/60/458815060.db2.gz LUACCEOLVVJPQC-HXUWFJFHSA-N 1 2 341.455 3.296 20 30 EGEDLO COc1cc(C#N)ccc1OCCOc1ccccc1-n1cc[nH+]c1 ZINC000530717571 458816236 /nfs/dbraw/zinc/81/62/36/458816236.db2.gz NLLOBXHCTUKSAX-UHFFFAOYSA-N 1 2 335.363 3.210 20 30 EGEDLO C[NH+](C)[C@H](C(=O)Nc1cc(CC#N)ccn1)c1cccc(Cl)c1 ZINC000532179651 459042592 /nfs/dbraw/zinc/04/25/92/459042592.db2.gz BWMYOENERLUNEN-INIZCTEOSA-N 1 2 328.803 3.042 20 30 EGEDLO CN(C(=O)C[N@@H+]1CCOC2(C1)CCCCCC2)C1(C#N)CCCCC1 ZINC000477868597 459063223 /nfs/dbraw/zinc/06/32/23/459063223.db2.gz XOKFOZJWBKBBPU-UHFFFAOYSA-N 1 2 347.503 3.096 20 30 EGEDLO CN(C(=O)C[N@H+]1CCOC2(C1)CCCCCC2)C1(C#N)CCCCC1 ZINC000477868597 459063228 /nfs/dbraw/zinc/06/32/28/459063228.db2.gz XOKFOZJWBKBBPU-UHFFFAOYSA-N 1 2 347.503 3.096 20 30 EGEDLO N#CCCCN1C(=O)CCc2cc(N[C@H]3CCCn4cc[nH+]c43)ccc21 ZINC000594502139 459064315 /nfs/dbraw/zinc/06/43/15/459064315.db2.gz XQFMNPGQCXZRAJ-KRWDZBQOSA-N 1 2 349.438 3.413 20 30 EGEDLO C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2CCC[C@@](C)(C#N)C2)C1=O ZINC000590173273 459097339 /nfs/dbraw/zinc/09/73/39/459097339.db2.gz ZTJICZJRECJSDF-LJHODMEESA-N 1 2 329.419 3.113 20 30 EGEDLO C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2CCC[C@@](C)(C#N)C2)C1=O ZINC000590173273 459097343 /nfs/dbraw/zinc/09/73/43/459097343.db2.gz ZTJICZJRECJSDF-LJHODMEESA-N 1 2 329.419 3.113 20 30 EGEDLO CC(C)(C)C(=O)N[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000533004280 459173444 /nfs/dbraw/zinc/17/34/44/459173444.db2.gz QTDLBRJUKSBYMF-KRWDZBQOSA-N 1 2 332.875 3.318 20 30 EGEDLO CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000533004280 459173448 /nfs/dbraw/zinc/17/34/48/459173448.db2.gz QTDLBRJUKSBYMF-KRWDZBQOSA-N 1 2 332.875 3.318 20 30 EGEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000532999969 459173532 /nfs/dbraw/zinc/17/35/32/459173532.db2.gz NKFRTXCLFKHRJI-DZGCQCFKSA-N 1 2 327.346 3.436 20 30 EGEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000532999969 459173539 /nfs/dbraw/zinc/17/35/39/459173539.db2.gz NKFRTXCLFKHRJI-DZGCQCFKSA-N 1 2 327.346 3.436 20 30 EGEDLO Cc1cc(N2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c(C#N)c[nH+]1 ZINC000496383854 459174089 /nfs/dbraw/zinc/17/40/89/459174089.db2.gz QAKVPXDUBXIBKP-ZIAGYGMSSA-N 1 2 330.432 3.001 20 30 EGEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC(CCC#N)CC1)C2 ZINC000580078605 459255624 /nfs/dbraw/zinc/25/56/24/459255624.db2.gz ILLDAIWYUKLYFD-OAHLLOKOSA-N 1 2 328.460 3.180 20 30 EGEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC(CCC#N)CC1)CC2 ZINC000580078605 459255629 /nfs/dbraw/zinc/25/56/29/459255629.db2.gz ILLDAIWYUKLYFD-OAHLLOKOSA-N 1 2 328.460 3.180 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000580567261 459261680 /nfs/dbraw/zinc/26/16/80/459261680.db2.gz UCTJHLQEAVKIDC-HNNXBMFYSA-N 1 2 341.459 3.312 20 30 EGEDLO N#CC1(C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000581980296 459286145 /nfs/dbraw/zinc/28/61/45/459286145.db2.gz FPXVFZBWGYKFFR-UHFFFAOYSA-N 1 2 331.217 3.233 20 30 EGEDLO C=CCOC[C@H]([NH2+][C@@H](C)[C@H](C)c1ccc(Cl)cc1)C(=O)OC ZINC000482438928 459308778 /nfs/dbraw/zinc/30/87/78/459308778.db2.gz NNUQIYCFHAAMQR-XEZPLFJOSA-N 1 2 325.836 3.166 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595493847 459324347 /nfs/dbraw/zinc/32/43/47/459324347.db2.gz WMAVCOSPVRMCAC-UHFFFAOYSA-N 1 2 334.347 3.398 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595493847 459324356 /nfs/dbraw/zinc/32/43/56/459324356.db2.gz WMAVCOSPVRMCAC-UHFFFAOYSA-N 1 2 334.347 3.398 20 30 EGEDLO CCOc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](CC#N)C3)n2)cc1 ZINC000595609041 459364051 /nfs/dbraw/zinc/36/40/51/459364051.db2.gz FLDDDGTTWSQOHE-AWEZNQCLSA-N 1 2 326.400 3.261 20 30 EGEDLO CCOc1ccc(-c2noc(C[N@H+]3CCC[C@@H](CC#N)C3)n2)cc1 ZINC000595609041 459364057 /nfs/dbraw/zinc/36/40/57/459364057.db2.gz FLDDDGTTWSQOHE-AWEZNQCLSA-N 1 2 326.400 3.261 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000591382234 459366966 /nfs/dbraw/zinc/36/69/66/459366966.db2.gz RIIDVUVMHCKUND-UHFFFAOYSA-N 1 2 325.456 3.259 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000591382234 459366971 /nfs/dbraw/zinc/36/69/71/459366971.db2.gz RIIDVUVMHCKUND-UHFFFAOYSA-N 1 2 325.456 3.259 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591407486 459372490 /nfs/dbraw/zinc/37/24/90/459372490.db2.gz JFFUPLMSMJQBFU-IEBWSBKVSA-N 1 2 349.438 3.179 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000538954821 459373325 /nfs/dbraw/zinc/37/33/25/459373325.db2.gz DPCOKEYJJRWTDE-UHFFFAOYSA-N 1 2 329.469 3.478 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000538954821 459373333 /nfs/dbraw/zinc/37/33/33/459373333.db2.gz DPCOKEYJJRWTDE-UHFFFAOYSA-N 1 2 329.469 3.478 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@@H](c2ccc(CC)cc2)C1 ZINC000484574985 459419977 /nfs/dbraw/zinc/41/99/77/459419977.db2.gz YAOFHOLXGUDNRO-FXAWDEMLSA-N 1 2 342.483 3.211 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](c2ccc(CC)cc2)C1 ZINC000484574985 459419985 /nfs/dbraw/zinc/41/99/85/459419985.db2.gz YAOFHOLXGUDNRO-FXAWDEMLSA-N 1 2 342.483 3.211 20 30 EGEDLO COC[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(C(F)(F)F)c1 ZINC000591740817 459428116 /nfs/dbraw/zinc/42/81/16/459428116.db2.gz NKVLQZHUJAYIEY-SWLSCSKDSA-N 1 2 325.334 3.426 20 30 EGEDLO COc1cc(N2CCOC(C)(C)C2)ccc1[NH2+]C[C@H](C#N)CCC#N ZINC000591774481 459433872 /nfs/dbraw/zinc/43/38/72/459433872.db2.gz QMSPBCMNNAWQOL-HNNXBMFYSA-N 1 2 342.443 3.166 20 30 EGEDLO C[C@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CC2(CCCC2)O1 ZINC000592195491 459547662 /nfs/dbraw/zinc/54/76/62/459547662.db2.gz SMBDXPROUXMGHW-ZDUSSCGKSA-N 1 2 347.846 3.184 20 30 EGEDLO C[C@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CC2(CCCC2)O1 ZINC000592195491 459547668 /nfs/dbraw/zinc/54/76/68/459547668.db2.gz SMBDXPROUXMGHW-ZDUSSCGKSA-N 1 2 347.846 3.184 20 30 EGEDLO CCc1[nH+]c2ccccc2n1C1CCN(c2cc(C#N)cnn2)CC1 ZINC000596186798 459553677 /nfs/dbraw/zinc/55/36/77/459553677.db2.gz YBHKJPMCUBVMGC-UHFFFAOYSA-N 1 2 332.411 3.102 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000570462812 459556874 /nfs/dbraw/zinc/55/68/74/459556874.db2.gz WUMTUJYSISKLTI-ZIAGYGMSSA-N 1 2 330.457 3.159 20 30 EGEDLO C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000490719029 459585214 /nfs/dbraw/zinc/58/52/14/459585214.db2.gz LGHNDJPAIXPVRG-UHFFFAOYSA-N 1 2 335.382 3.296 20 30 EGEDLO C#CCN(C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)C1CCCCC1 ZINC000490741140 459586566 /nfs/dbraw/zinc/58/65/66/459586566.db2.gz SVIASDDBTYJYJB-OAHLLOKOSA-N 1 2 327.472 3.433 20 30 EGEDLO C#CCN(C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)C1CCCCC1 ZINC000490741140 459586574 /nfs/dbraw/zinc/58/65/74/459586574.db2.gz SVIASDDBTYJYJB-OAHLLOKOSA-N 1 2 327.472 3.433 20 30 EGEDLO C#CCN(CC)C(=O)c1ccccc1OCc1cn2cc(C)ccc2[nH+]1 ZINC000490893333 459590540 /nfs/dbraw/zinc/59/05/40/459590540.db2.gz SYQLDKHGLCXCLW-UHFFFAOYSA-N 1 2 347.418 3.317 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccn2)cc1Cl ZINC000572906445 459593337 /nfs/dbraw/zinc/59/33/37/459593337.db2.gz OFBSOQCCPMEABJ-QGZVFWFLSA-N 1 2 340.814 3.382 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccn2)cc1Cl ZINC000572906445 459593342 /nfs/dbraw/zinc/59/33/42/459593342.db2.gz OFBSOQCCPMEABJ-QGZVFWFLSA-N 1 2 340.814 3.382 20 30 EGEDLO COc1ccc2c(c1)C[C@H](C)[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@H]2C ZINC000542881059 459607187 /nfs/dbraw/zinc/60/71/87/459607187.db2.gz LLXNJIMJXJZUDD-AVYPCKFXSA-N 1 2 343.471 3.057 20 30 EGEDLO COc1ccc2c(c1)C[C@H](C)[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@H]2C ZINC000542881059 459607191 /nfs/dbraw/zinc/60/71/91/459607191.db2.gz LLXNJIMJXJZUDD-AVYPCKFXSA-N 1 2 343.471 3.057 20 30 EGEDLO C#C[C@@H](NC(=O)CCn1c(C)[nH+]c2ccccc21)c1ccc(F)cc1 ZINC000491231912 459608354 /nfs/dbraw/zinc/60/83/54/459608354.db2.gz WSOJBQCYDKEQQN-QGZVFWFLSA-N 1 2 335.382 3.365 20 30 EGEDLO COCC[N@H+](Cc1ccnn1CC(C)C)Cc1ccc(C#N)cc1 ZINC000592497869 459614298 /nfs/dbraw/zinc/61/42/98/459614298.db2.gz DQAZXQYXDOTQIC-UHFFFAOYSA-N 1 2 326.444 3.059 20 30 EGEDLO COCC[N@@H+](Cc1ccnn1CC(C)C)Cc1ccc(C#N)cc1 ZINC000592497869 459614303 /nfs/dbraw/zinc/61/43/03/459614303.db2.gz DQAZXQYXDOTQIC-UHFFFAOYSA-N 1 2 326.444 3.059 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000491398771 459622933 /nfs/dbraw/zinc/62/29/33/459622933.db2.gz UPWITFFQGRUFGN-UHFFFAOYSA-N 1 2 343.383 3.165 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000491398771 459622937 /nfs/dbraw/zinc/62/29/37/459622937.db2.gz UPWITFFQGRUFGN-UHFFFAOYSA-N 1 2 343.383 3.165 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(c2c(F)cccc2F)CC1 ZINC000527299097 459624835 /nfs/dbraw/zinc/62/48/35/459624835.db2.gz QMPBLPVCJKAGNC-CYBMUJFWSA-N 1 2 347.409 3.095 20 30 EGEDLO COc1cc(OC)c2ncc(C#N)c(N[C@@H]3C[C@H](C)n4cc[nH+]c43)c2c1 ZINC000583975522 459627971 /nfs/dbraw/zinc/62/79/71/459627971.db2.gz QOMRURPGTZOPJM-XHDPSFHLSA-N 1 2 349.394 3.438 20 30 EGEDLO C=CC[C@@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000596426777 459633743 /nfs/dbraw/zinc/63/37/43/459633743.db2.gz DUVUJSJYBRMYLO-MRXNPFEDSA-N 1 2 345.443 3.220 20 30 EGEDLO C#C[C@@H](NC(=O)N[C@H](C)c1[nH+]ccn1CC)c1ccc(Cl)cc1 ZINC000491789302 459674260 /nfs/dbraw/zinc/67/42/60/459674260.db2.gz ZEUDITOWLFKAAF-IUODEOHRSA-N 1 2 330.819 3.291 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000596589692 459686084 /nfs/dbraw/zinc/68/60/84/459686084.db2.gz BTQRQRXYWWWLEJ-DOTOQJQBSA-N 1 2 340.471 3.196 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000596589692 459686086 /nfs/dbraw/zinc/68/60/86/459686086.db2.gz BTQRQRXYWWWLEJ-DOTOQJQBSA-N 1 2 340.471 3.196 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000596591759 459687272 /nfs/dbraw/zinc/68/72/72/459687272.db2.gz LQZHWSMUQCBTGT-KBXCAEBGSA-N 1 2 334.423 3.363 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000596591759 459687276 /nfs/dbraw/zinc/68/72/76/459687276.db2.gz LQZHWSMUQCBTGT-KBXCAEBGSA-N 1 2 334.423 3.363 20 30 EGEDLO Cc1[nH]c2ccc(NC(=O)C=Cc3ccc(OCC#N)cc3)cc2[nH+]1 ZINC000492110474 459691669 /nfs/dbraw/zinc/69/16/69/459691669.db2.gz KFYJDSBRUJHVMO-WTKPLQERSA-N 1 2 332.363 3.426 20 30 EGEDLO Cc1[nH]c2ccc(NC(=O)C=Cc3ccc(OCC#N)cc3)cc2[nH+]1 ZINC000492110473 459691934 /nfs/dbraw/zinc/69/19/34/459691934.db2.gz KFYJDSBRUJHVMO-RUDMXATFSA-N 1 2 332.363 3.426 20 30 EGEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CC[C@H](C#N)C3)c2C1 ZINC000584346908 459716337 /nfs/dbraw/zinc/71/63/37/459716337.db2.gz MRWXQUDVDAWORW-LSDHHAIUSA-N 1 2 348.450 3.035 20 30 EGEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CC[C@H](C#N)C3)c2C1 ZINC000584346908 459716339 /nfs/dbraw/zinc/71/63/39/459716339.db2.gz MRWXQUDVDAWORW-LSDHHAIUSA-N 1 2 348.450 3.035 20 30 EGEDLO C[C@H]1C[C@H]1c1ccc(C[N@H+](Cc2cnc3c(C#N)cnn3c2)C2CC2)o1 ZINC000563154109 459725018 /nfs/dbraw/zinc/72/50/18/459725018.db2.gz GNFVXRJCMJPNJT-SCLBCKFNSA-N 1 2 347.422 3.482 20 30 EGEDLO C[C@H]1C[C@H]1c1ccc(C[N@@H+](Cc2cnc3c(C#N)cnn3c2)C2CC2)o1 ZINC000563154109 459725024 /nfs/dbraw/zinc/72/50/24/459725024.db2.gz GNFVXRJCMJPNJT-SCLBCKFNSA-N 1 2 347.422 3.482 20 30 EGEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCCC(F)(F)C2)cc1Cl ZINC000593049987 459754407 /nfs/dbraw/zinc/75/44/07/459754407.db2.gz UVELNWCWGBGEGU-UHFFFAOYSA-N 1 2 327.762 3.271 20 30 EGEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC(F)(F)C2)cc1Cl ZINC000593049987 459754412 /nfs/dbraw/zinc/75/44/12/459754412.db2.gz UVELNWCWGBGEGU-UHFFFAOYSA-N 1 2 327.762 3.271 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000565051678 459781622 /nfs/dbraw/zinc/78/16/22/459781622.db2.gz PLZHXWBHQLFBFC-MRXNPFEDSA-N 1 2 348.859 3.037 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000593155719 459790651 /nfs/dbraw/zinc/79/06/51/459790651.db2.gz WLZVNQHCCAHFRA-LJQANCHMSA-N 1 2 341.386 3.192 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CC1CCC(c2ccccc2)CC1 ZINC000593154230 459790704 /nfs/dbraw/zinc/79/07/04/459790704.db2.gz AAIMLOGOHIGLND-NLPFYKDJSA-N 1 2 327.472 3.311 20 30 EGEDLO C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1c(Cl)cccc1Cl ZINC000593154358 459790740 /nfs/dbraw/zinc/79/07/40/459790740.db2.gz HVAOYHDYOJPHLA-ZUZCIYMTSA-N 1 2 328.243 3.057 20 30 EGEDLO C[C@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000584784927 459802294 /nfs/dbraw/zinc/80/22/94/459802294.db2.gz YHFZDAXFIJLANI-MLGOLLRUSA-N 1 2 341.377 3.159 20 30 EGEDLO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2ncccc2F)c(C#N)c1C ZINC000528823657 459814821 /nfs/dbraw/zinc/81/48/21/459814821.db2.gz MJYHUVYBIWCIEA-JTQLQIEISA-N 1 2 332.404 3.060 20 30 EGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000597181038 459864611 /nfs/dbraw/zinc/86/46/11/459864611.db2.gz ZKWMJALUWHLUJD-BFHYXJOUSA-N 1 2 340.452 3.414 20 30 EGEDLO CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000597184729 459867411 /nfs/dbraw/zinc/86/74/11/459867411.db2.gz NRYOSZDZMPZNEM-YJBOKZPZSA-N 1 2 336.439 3.124 20 30 EGEDLO CC(C)c1nsc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000593514484 459912330 /nfs/dbraw/zinc/91/23/30/459912330.db2.gz COSHTYBGKVBKNP-UHFFFAOYSA-N 1 2 341.484 3.032 20 30 EGEDLO Cc1cccn2cc(Cc3noc(-c4ccc(CC#N)cc4)n3)[nH+]c12 ZINC000546387224 459914429 /nfs/dbraw/zinc/91/44/29/459914429.db2.gz SUEIPCOZJDGNHS-UHFFFAOYSA-N 1 2 329.363 3.350 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000575186031 459942794 /nfs/dbraw/zinc/94/27/94/459942794.db2.gz RLWCNLNBBNQCGX-LJQANCHMSA-N 1 2 339.464 3.087 20 30 EGEDLO C[C@@H](CCC#N)C[N@H+](C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000602484104 459961858 /nfs/dbraw/zinc/96/18/58/459961858.db2.gz HKLUEGBXQGFRMJ-FZMZJTMJSA-N 1 2 326.849 3.040 20 30 EGEDLO C[C@@H](CCC#N)C[N@@H+](C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000602484104 459961859 /nfs/dbraw/zinc/96/18/59/459961859.db2.gz HKLUEGBXQGFRMJ-FZMZJTMJSA-N 1 2 326.849 3.040 20 30 EGEDLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000610004596 460048840 /nfs/dbraw/zinc/04/88/40/460048840.db2.gz PKVKAOYRYDVFJY-OAHLLOKOSA-N 1 2 343.446 3.430 20 30 EGEDLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000610004596 460048847 /nfs/dbraw/zinc/04/88/47/460048847.db2.gz PKVKAOYRYDVFJY-OAHLLOKOSA-N 1 2 343.446 3.430 20 30 EGEDLO Cc1cnc(OC2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)nc1 ZINC000594020235 460059294 /nfs/dbraw/zinc/05/92/94/460059294.db2.gz FATBYGDURALGRM-UHFFFAOYSA-N 1 2 342.830 3.354 20 30 EGEDLO Cc1cccc2c1ncc(C#N)c2NCc1cn2c(cccc2C)[nH+]1 ZINC000610277958 460104064 /nfs/dbraw/zinc/10/40/64/460104064.db2.gz QIJXDJBJDMCQGS-UHFFFAOYSA-N 1 2 327.391 3.405 20 30 EGEDLO C=CC[N@H+](CC(=O)NCc1ccc(C)cc1)Cc1ccc(OC)cc1 ZINC000614351530 460110374 /nfs/dbraw/zinc/11/03/74/460110374.db2.gz FGNPIGOSXGHCEO-UHFFFAOYSA-N 1 2 338.451 3.308 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCc1ccc(C)cc1)Cc1ccc(OC)cc1 ZINC000614351530 460110377 /nfs/dbraw/zinc/11/03/77/460110377.db2.gz FGNPIGOSXGHCEO-UHFFFAOYSA-N 1 2 338.451 3.308 20 30 EGEDLO N#CCC1(C[NH+]2CCN(C(=O)c3cccc4ccccc43)CC2)CC1 ZINC000602766465 460114098 /nfs/dbraw/zinc/11/40/98/460114098.db2.gz KLXGCPOHOQSQMZ-UHFFFAOYSA-N 1 2 333.435 3.291 20 30 EGEDLO C[C@@H]([NH2+][C@@H](C)CC#N)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000602862294 460163172 /nfs/dbraw/zinc/16/31/72/460163172.db2.gz JNQPTGNOINMMCB-OUAUKWLOSA-N 1 2 330.457 3.474 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505644 460169015 /nfs/dbraw/zinc/16/90/15/460169015.db2.gz PPEDJKOUTJCILG-YOEHRIQHSA-N 1 2 329.419 3.304 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505644 460169016 /nfs/dbraw/zinc/16/90/16/460169016.db2.gz PPEDJKOUTJCILG-YOEHRIQHSA-N 1 2 329.419 3.304 20 30 EGEDLO Cc1cccn2cc(CCNC(=O)Nc3ccc(F)cc3C#N)[nH+]c12 ZINC000610584868 460190550 /nfs/dbraw/zinc/19/05/50/460190550.db2.gz XDPKOZPULIAKSR-UHFFFAOYSA-N 1 2 337.358 3.018 20 30 EGEDLO C[C@@H]1CCN(C(=O)N[C@H]2CCc3cc(C#N)ccc32)C[C@H]1n1cc[nH+]c1 ZINC000618848638 460195785 /nfs/dbraw/zinc/19/57/85/460195785.db2.gz KTESUAGKSXCRPV-MDASCCDHSA-N 1 2 349.438 3.035 20 30 EGEDLO Cc1cc(N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)c(C#N)cn1 ZINC000603419892 460301543 /nfs/dbraw/zinc/30/15/43/460301543.db2.gz QPVAHGLXGIICLP-UHFFFAOYSA-N 1 2 347.344 3.002 20 30 EGEDLO COc1ccc(-c2nnc(C[NH2+][C@@H](C)c3cccc(C#N)c3)o2)cc1 ZINC000611386296 460350577 /nfs/dbraw/zinc/35/05/77/460350577.db2.gz HLOLEYOMRJXLMK-ZDUSSCGKSA-N 1 2 334.379 3.468 20 30 EGEDLO C[C@@H](c1ccccc1F)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000603875716 460352587 /nfs/dbraw/zinc/35/25/87/460352587.db2.gz GNFLKHIBPMJTKN-ZDUSSCGKSA-N 1 2 340.402 3.446 20 30 EGEDLO COc1ccc(C#N)cc1C[N@@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000616132163 460480105 /nfs/dbraw/zinc/48/01/05/460480105.db2.gz KFIPATIUYNZMGV-OAHLLOKOSA-N 1 2 339.414 3.417 20 30 EGEDLO COc1ccc(C#N)cc1C[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000616132163 460480109 /nfs/dbraw/zinc/48/01/09/460480109.db2.gz KFIPATIUYNZMGV-OAHLLOKOSA-N 1 2 339.414 3.417 20 30 EGEDLO N#Cc1cccc(/C=C/c2nc([C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000612991522 460796127 /nfs/dbraw/zinc/79/61/27/460796127.db2.gz ZGNJDQZNQUAFIW-PWHGLLLSSA-N 1 2 336.395 3.037 20 30 EGEDLO N#Cc1cccc(/C=C/c2nc([C@@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000612991522 460796135 /nfs/dbraw/zinc/79/61/35/460796135.db2.gz ZGNJDQZNQUAFIW-PWHGLLLSSA-N 1 2 336.395 3.037 20 30 EGEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(F)cc2C(F)(F)F)nn1 ZINC000624004040 460818647 /nfs/dbraw/zinc/81/86/47/460818647.db2.gz TVHHZPDLCQCMFV-JTQLQIEISA-N 1 2 328.313 3.473 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cccc(C(=O)[O-])c3)CC2)cc1 ZINC000602068024 461002810 /nfs/dbraw/zinc/00/28/10/461002810.db2.gz CVKUCXFOIZHCLH-UHFFFAOYSA-N 1 2 349.434 3.011 20 30 EGEDLO C=CCCn1cc(C[N@@H+](C)Cc2ccc(Br)cc2)nn1 ZINC000653487891 461669311 /nfs/dbraw/zinc/66/93/11/461669311.db2.gz SPQQPYIOIQDEPL-UHFFFAOYSA-N 1 2 335.249 3.249 20 30 EGEDLO C=CCCn1cc(C[N@H+](C)Cc2ccc(Br)cc2)nn1 ZINC000653487891 461669314 /nfs/dbraw/zinc/66/93/14/461669314.db2.gz SPQQPYIOIQDEPL-UHFFFAOYSA-N 1 2 335.249 3.249 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1nc(C)[nH+]c(C)c1Br ZINC000663870016 461848527 /nfs/dbraw/zinc/84/85/27/461848527.db2.gz LGPVUIPBTVYGPB-YPMHNXCESA-N 1 2 326.238 3.249 20 30 EGEDLO C=CCCn1cc(C[NH2+]Cc2ccnc(OCc3ccccc3)c2)nn1 ZINC000657310716 462034023 /nfs/dbraw/zinc/03/40/23/462034023.db2.gz RQLQJJXSHPMLKO-UHFFFAOYSA-N 1 2 349.438 3.118 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000644800646 462083160 /nfs/dbraw/zinc/08/31/60/462083160.db2.gz LUZQMXXMTZRQRA-OAHLLOKOSA-N 1 2 333.476 3.433 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000644800646 462083166 /nfs/dbraw/zinc/08/31/66/462083166.db2.gz LUZQMXXMTZRQRA-OAHLLOKOSA-N 1 2 333.476 3.433 20 30 EGEDLO C=CCCn1cc(C[NH2+][C@@H]2CC(C)(C)Oc3ccc(F)cc32)nn1 ZINC000657501112 462158435 /nfs/dbraw/zinc/15/84/35/462158435.db2.gz PJZIRZARZZVAKH-MRXNPFEDSA-N 1 2 330.407 3.385 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)COC ZINC000661242664 462167170 /nfs/dbraw/zinc/16/71/70/462167170.db2.gz DMJNGEXBZCOJNL-LBPRGKRZSA-N 1 2 330.350 3.167 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)COC ZINC000661242664 462167175 /nfs/dbraw/zinc/16/71/75/462167175.db2.gz DMJNGEXBZCOJNL-LBPRGKRZSA-N 1 2 330.350 3.167 20 30 EGEDLO C=CC[C@@H]1CCCN(C(=O)NCCc2cn3c(cccc3C)[nH+]2)C1 ZINC000661348798 462210071 /nfs/dbraw/zinc/21/00/71/462210071.db2.gz FNYUVEAQYWIQAK-MRXNPFEDSA-N 1 2 326.444 3.183 20 30 EGEDLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000046519162 534891997 /nfs/dbraw/zinc/89/19/97/534891997.db2.gz HKFFWWLCKVNUIP-AWEZNQCLSA-N 1 2 335.407 3.220 20 30 EGEDLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000046519162 534891998 /nfs/dbraw/zinc/89/19/98/534891998.db2.gz HKFFWWLCKVNUIP-AWEZNQCLSA-N 1 2 335.407 3.220 20 30 EGEDLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046519184 546543879 /nfs/dbraw/zinc/54/38/79/546543879.db2.gz YAUVRSILUPKHHO-CQSZACIVSA-N 1 2 335.407 3.220 20 30 EGEDLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046519184 546543882 /nfs/dbraw/zinc/54/38/82/546543882.db2.gz YAUVRSILUPKHHO-CQSZACIVSA-N 1 2 335.407 3.220 20 30 EGEDLO C[C@H]1C[C@H](C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CCC1=O ZINC000328929312 547487766 /nfs/dbraw/zinc/48/77/66/547487766.db2.gz YNBCNKCWBKVPHE-GOEBONIOSA-N 1 2 330.428 3.112 20 30 EGEDLO Cc1ccc2nc(C[NH+]3CCC(C#N)(c4ccccn4)CC3)cn2c1 ZINC000374290595 547806522 /nfs/dbraw/zinc/80/65/22/547806522.db2.gz DXHDVYCPPVKSSG-UHFFFAOYSA-N 1 2 331.423 3.095 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000674464204 548755291 /nfs/dbraw/zinc/75/52/91/548755291.db2.gz XMPXDMCZCWYTJO-QWRGUYRKSA-N 1 2 346.315 3.084 20 30 EGEDLO N#Cc1ccc(NC(=S)NCc2cn3ccccc3[nH+]2)cc1Cl ZINC000726444520 574555545 /nfs/dbraw/zinc/55/55/45/574555545.db2.gz MHCJGEVDBTWBHP-UHFFFAOYSA-N 1 2 341.827 3.346 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](CC)C2CCC2)c1=S ZINC000738055894 574587647 /nfs/dbraw/zinc/58/76/47/574587647.db2.gz UTRFLHLIFAULOR-UHFFFAOYSA-N 1 2 329.473 3.494 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](CC)C2CCC2)c1=S ZINC000738055894 574587648 /nfs/dbraw/zinc/58/76/48/574587648.db2.gz UTRFLHLIFAULOR-UHFFFAOYSA-N 1 2 329.473 3.494 20 30 EGEDLO CN(C)c1ccc(C=[NH+]NC(=S)Nc2ccccc2F)cc1F ZINC000727648955 574680937 /nfs/dbraw/zinc/68/09/37/574680937.db2.gz YEUJLFRRIVNZSA-UHFFFAOYSA-N 1 2 334.395 3.351 20 30 EGEDLO Cc1c(N[NH+]=Cc2ccc(N3CCOCC3)s2)cccc1[N+](=O)[O-] ZINC000727972705 574707473 /nfs/dbraw/zinc/70/74/73/574707473.db2.gz DTZHINAOCKFSMF-UHFFFAOYSA-N 1 2 346.412 3.247 20 30 EGEDLO C#CC[N@@H+](Cn1nc(N(C)C)n(C(C)C)c1=S)C1CCCCC1 ZINC000728899397 574785201 /nfs/dbraw/zinc/78/52/01/574785201.db2.gz FTUHDLIXBLKKDC-UHFFFAOYSA-N 1 2 335.521 3.286 20 30 EGEDLO C#CC[N@H+](Cn1nc(N(C)C)n(C(C)C)c1=S)C1CCCCC1 ZINC000728899397 574785202 /nfs/dbraw/zinc/78/52/02/574785202.db2.gz FTUHDLIXBLKKDC-UHFFFAOYSA-N 1 2 335.521 3.286 20 30 EGEDLO CN(C)c1nc(Cl)c(C=[NH+][N-]c2cc[nH+]c3ccccc23)s1 ZINC000730147972 574925352 /nfs/dbraw/zinc/92/53/52/574925352.db2.gz LSDWOKBNSJJQQB-UHFFFAOYSA-N 1 2 331.832 3.279 20 30 EGEDLO Cc1cccn2cc(CNC(=O)c3ccccc3SCC#N)[nH+]c12 ZINC000732092277 575236529 /nfs/dbraw/zinc/23/65/29/575236529.db2.gz ITZCSMDYTKGTCL-UHFFFAOYSA-N 1 2 336.420 3.188 20 30 EGEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)CCCCC1 ZINC000732986790 575299190 /nfs/dbraw/zinc/29/91/90/575299190.db2.gz NFKPNZHWFGBSHV-QGZVFWFLSA-N 1 2 347.409 3.444 20 30 EGEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)CCCCC1 ZINC000732986790 575299192 /nfs/dbraw/zinc/29/91/92/575299192.db2.gz NFKPNZHWFGBSHV-QGZVFWFLSA-N 1 2 347.409 3.444 20 30 EGEDLO C=CC[C@@H](NC(=O)NCCCCNc1cccc[nH+]1)c1ccncc1 ZINC000734678149 575541103 /nfs/dbraw/zinc/54/11/03/575541103.db2.gz DYMKFQHBCDZLIL-QGZVFWFLSA-N 1 2 339.443 3.285 20 30 EGEDLO C=CCSc1nc2ccccc2n1C[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000736593842 575988241 /nfs/dbraw/zinc/98/82/41/575988241.db2.gz IBQLQIYLUZAQNL-QIPPXTIRSA-N 1 2 349.525 3.113 20 30 EGEDLO C=CCSc1nc2ccccc2n1C[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000736593842 575988244 /nfs/dbraw/zinc/98/82/44/575988244.db2.gz IBQLQIYLUZAQNL-QIPPXTIRSA-N 1 2 349.525 3.113 20 30 EGEDLO CC(=[NH+]Nc1ccnc(N(C)C)n1)c1ccc(N2CCCCC2)cc1 ZINC000739418477 576409878 /nfs/dbraw/zinc/40/98/78/576409878.db2.gz UHUGYHJNBROEQC-UHFFFAOYSA-N 1 2 338.459 3.369 20 30 EGEDLO CC(C)C[N@H+](CCC#N)CC(=O)NCC1(c2ccccc2)CCCC1 ZINC000739913904 576518221 /nfs/dbraw/zinc/51/82/21/576518221.db2.gz CHTNZJHWEQBLAV-UHFFFAOYSA-N 1 2 341.499 3.486 20 30 EGEDLO CC(C)C[N@@H+](CCC#N)CC(=O)NCC1(c2ccccc2)CCCC1 ZINC000739913904 576518224 /nfs/dbraw/zinc/51/82/24/576518224.db2.gz CHTNZJHWEQBLAV-UHFFFAOYSA-N 1 2 341.499 3.486 20 30 EGEDLO COc1ccc([C@@H](NC(=O)C[N@H+](CCC#N)CC(C)C)C(C)C)cc1 ZINC000739913755 576518357 /nfs/dbraw/zinc/51/83/57/576518357.db2.gz QFXWBVFQHKIUJK-FQEVSTJZSA-N 1 2 345.487 3.380 20 30 EGEDLO COc1ccc([C@@H](NC(=O)C[N@@H+](CCC#N)CC(C)C)C(C)C)cc1 ZINC000739913755 576518359 /nfs/dbraw/zinc/51/83/59/576518359.db2.gz QFXWBVFQHKIUJK-FQEVSTJZSA-N 1 2 345.487 3.380 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+]2C[C@H](C)C[C@H]2C)c1=S ZINC000740861434 576630876 /nfs/dbraw/zinc/63/08/76/576630876.db2.gz OALQPKLRPQXHQD-ZIAGYGMSSA-N 1 2 329.473 3.350 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+]2C[C@H](C)C[C@H]2C)c1=S ZINC000740861434 576630879 /nfs/dbraw/zinc/63/08/79/576630879.db2.gz OALQPKLRPQXHQD-ZIAGYGMSSA-N 1 2 329.473 3.350 20 30 EGEDLO CC[N@H+](C)[C@H](C(=O)OCc1ccc(C#N)cc1F)c1ccccc1 ZINC000741151062 576661287 /nfs/dbraw/zinc/66/12/87/576661287.db2.gz UIDYCRVGPSKCBB-SFHVURJKSA-N 1 2 326.371 3.434 20 30 EGEDLO CC[N@@H+](C)[C@H](C(=O)OCc1ccc(C#N)cc1F)c1ccccc1 ZINC000741151062 576661288 /nfs/dbraw/zinc/66/12/88/576661288.db2.gz UIDYCRVGPSKCBB-SFHVURJKSA-N 1 2 326.371 3.434 20 30 EGEDLO C[C@@H](O[NH+]=C(N)c1ccc(F)cc1)c1nc(Cc2ccccc2)no1 ZINC000741753178 576717150 /nfs/dbraw/zinc/71/71/50/576717150.db2.gz SNTVXGVRUCRYCH-GFCCVEGCSA-N 1 2 340.358 3.198 20 30 EGEDLO Cc1cc(C(N)=[NH+]OCc2nnc(-c3cccc(F)c3)o2)ccc1F ZINC000742354455 576772028 /nfs/dbraw/zinc/77/20/28/576772028.db2.gz NOKCXBHAZHFURQ-UHFFFAOYSA-N 1 2 344.321 3.160 20 30 EGEDLO C#CC[N@H+](CC#CC)CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000743854771 576816994 /nfs/dbraw/zinc/81/69/94/576816994.db2.gz LYMNGNJYEZVDPR-FQEVSTJZSA-N 1 2 328.264 3.060 20 30 EGEDLO C#CC[N@@H+](CC#CC)CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000743854771 576816995 /nfs/dbraw/zinc/81/69/95/576816995.db2.gz LYMNGNJYEZVDPR-FQEVSTJZSA-N 1 2 328.264 3.060 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000745101673 576841304 /nfs/dbraw/zinc/84/13/04/576841304.db2.gz RWQBZJVJWLUVTL-FUHWJXTLSA-N 1 2 346.471 3.036 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000745101673 576841305 /nfs/dbraw/zinc/84/13/05/576841305.db2.gz RWQBZJVJWLUVTL-FUHWJXTLSA-N 1 2 346.471 3.036 20 30 EGEDLO C[C@H](C#N)OCC[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000794804119 1309599125 /nfs/dbraw/zinc/59/91/25/1309599125.db2.gz TWFXHPHFOQIHHB-XJKCOSOUSA-N 1 2 342.361 3.396 20 30 EGEDLO C[C@H](C#N)OCC[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000794804119 1309599131 /nfs/dbraw/zinc/59/91/31/1309599131.db2.gz TWFXHPHFOQIHHB-XJKCOSOUSA-N 1 2 342.361 3.396 20 30 EGEDLO CSc1ccc(NC(=O)CO[NH+]=C(N)c2ccc(F)c(C)c2)cc1 ZINC000063457695 1292009981 /nfs/dbraw/zinc/00/99/81/1292009981.db2.gz GELPLOSZAGWIGA-UHFFFAOYSA-N 1 2 347.415 3.132 20 30 EGEDLO N#Cc1ccccc1/C=C/C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000068197494 1292191212 /nfs/dbraw/zinc/19/12/12/1292191212.db2.gz DBVMODLRYQBCKD-CMDGGOBGSA-N 1 2 347.418 3.042 20 30 EGEDLO C#CCC[N@@H+](CCOC)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000827823181 1292383524 /nfs/dbraw/zinc/38/35/24/1292383524.db2.gz JZTOSMJGWCGWOF-UHFFFAOYSA-N 1 2 345.424 3.190 20 30 EGEDLO C#CCC[N@H+](CCOC)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000827823181 1292383533 /nfs/dbraw/zinc/38/35/33/1292383533.db2.gz JZTOSMJGWCGWOF-UHFFFAOYSA-N 1 2 345.424 3.190 20 30 EGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C#Cc2cccs2)CC1 ZINC000829438516 1292571989 /nfs/dbraw/zinc/57/19/89/1292571989.db2.gz LCMOHRZNESATCN-CQSZACIVSA-N 1 2 330.478 3.067 20 30 EGEDLO NC(Cc1cccnc1)=[NH+]OCCOc1ccccc1C(F)(F)F ZINC000092917289 1292899149 /nfs/dbraw/zinc/89/91/49/1292899149.db2.gz PKZDEPYHDNXBEW-UHFFFAOYSA-N 1 2 339.317 3.011 20 30 EGEDLO COC(=O)C1(C#N)CC[NH+](Cc2c(C)cc(C)c(C(C)=O)c2C)CC1 ZINC000831687185 1292907096 /nfs/dbraw/zinc/90/70/96/1292907096.db2.gz KMRHFYIANGBENI-UHFFFAOYSA-N 1 2 342.439 3.093 20 30 EGEDLO C=C[C@](C)(CCOC)COC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835336544 1293266141 /nfs/dbraw/zinc/26/61/41/1293266141.db2.gz IBRHZJOKNWAFBV-LJQANCHMSA-N 1 2 328.412 3.317 20 30 EGEDLO NC(Cc1cccnc1)=[NH+]OCc1ccc(Br)cc1F ZINC000137650799 1293830670 /nfs/dbraw/zinc/83/06/70/1293830670.db2.gz ZPQIDGNOMJVNRX-UHFFFAOYSA-N 1 2 338.180 3.015 20 30 EGEDLO Cc1ccc(NC(=O)c2cccc(SCC#N)c2)c(N(C)C)[nH+]1 ZINC000152912932 1293991022 /nfs/dbraw/zinc/99/10/22/1293991022.db2.gz WSEHMQDMLHRGRK-UHFFFAOYSA-N 1 2 326.425 3.324 20 30 EGEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1cnn(Cc2ccccc2)c1 ZINC000157326352 1294174422 /nfs/dbraw/zinc/17/44/22/1294174422.db2.gz TZXHBUKWLMYQOT-MDZDMXLPSA-N 1 2 328.375 3.475 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+]2CC[C@@H](C)[C@H]2C)c1=S ZINC000174962023 1294533975 /nfs/dbraw/zinc/53/39/75/1294533975.db2.gz MSXTZBUUCGIPNH-ZIAGYGMSSA-N 1 2 329.473 3.350 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2CC[C@@H](C)[C@H]2C)c1=S ZINC000174962023 1294533980 /nfs/dbraw/zinc/53/39/80/1294533980.db2.gz MSXTZBUUCGIPNH-ZIAGYGMSSA-N 1 2 329.473 3.350 20 30 EGEDLO CC(=O)c1ccccc1OCCO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000194343853 1295970188 /nfs/dbraw/zinc/97/01/88/1295970188.db2.gz WAFFLRPQFNPNDF-UHFFFAOYSA-N 1 2 330.359 3.053 20 30 EGEDLO NC(=[NH2+])NN=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000254489812 1296471883 /nfs/dbraw/zinc/47/18/83/1296471883.db2.gz GTEKGVYXHAIOTC-UHFFFAOYSA-N 1 2 344.378 3.102 20 30 EGEDLO COC[C@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(Br)c1 ZINC000871924082 1296612620 /nfs/dbraw/zinc/61/26/20/1296612620.db2.gz CIVIOUXUDKCLSN-WFASDCNBSA-N 1 2 336.233 3.170 20 30 EGEDLO CC(C)(C#N)C[C@H](O)CNc1ccc2[nH]c(-c3ccncc3)[nH+]c2c1 ZINC000872253280 1296852151 /nfs/dbraw/zinc/85/21/51/1296852151.db2.gz NSMBPSLIWLZUHC-HNNXBMFYSA-N 1 2 335.411 3.338 20 30 EGEDLO C=CCOc1ccc(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)cc1 ZINC000874893811 1298151977 /nfs/dbraw/zinc/15/19/77/1298151977.db2.gz MJKPODICEXKFMT-IBGZPJMESA-N 1 2 340.398 3.177 20 30 EGEDLO CCN(C)c1ccc(C(C)=[NH+]Nc2nc3ccccc3c(=O)n2C)cc1 ZINC000748076073 1298921994 /nfs/dbraw/zinc/92/19/94/1298921994.db2.gz KIUDJHIXKJEEAU-UHFFFAOYSA-N 1 2 349.438 3.226 20 30 EGEDLO Cc1cc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)ccc1Oc1cccnc1 ZINC000753935944 1300044919 /nfs/dbraw/zinc/04/49/19/1300044919.db2.gz QNLVACGMANQXLC-HDICACEKSA-N 1 2 349.438 3.376 20 30 EGEDLO Cc1ccccc1C1N=NC(=S)N1N=C1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000753954309 1300053349 /nfs/dbraw/zinc/05/33/49/1300053349.db2.gz CXCOZQBDRWITBF-GFCCVEGCSA-N 1 2 327.457 3.003 20 30 EGEDLO Cc1ccccc1C1N=NC(=S)N1N=C1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000753954309 1300053358 /nfs/dbraw/zinc/05/33/58/1300053358.db2.gz CXCOZQBDRWITBF-GFCCVEGCSA-N 1 2 327.457 3.003 20 30 EGEDLO C=CCc1cc(C[N@@H+]2C[C@@H](C)O[C@H](C(F)(F)F)C2)c(O)c(OC)c1 ZINC000754736096 1300204640 /nfs/dbraw/zinc/20/46/40/1300204640.db2.gz FXQUDHQXCHINJK-ABAIWWIYSA-N 1 2 345.361 3.281 20 30 EGEDLO C=CCc1cc(C[N@H+]2C[C@@H](C)O[C@H](C(F)(F)F)C2)c(O)c(OC)c1 ZINC000754736096 1300204648 /nfs/dbraw/zinc/20/46/48/1300204648.db2.gz FXQUDHQXCHINJK-ABAIWWIYSA-N 1 2 345.361 3.281 20 30 EGEDLO COc1ccc(N=NCc2c[nH+]c3c(C)cccn23)c([N+](=O)[O-])c1 ZINC000755802910 1300399148 /nfs/dbraw/zinc/39/91/48/1300399148.db2.gz PJBFYKLNIPBLHK-UHFFFAOYSA-N 1 2 325.328 3.006 20 30 EGEDLO CC(=[NH+]NC(=S)Nc1ccc(N(C)C)cc1)c1ccc(N)cc1C ZINC000758119155 1300789439 /nfs/dbraw/zinc/78/94/39/1300789439.db2.gz BHXHYSMIEZIPDZ-UHFFFAOYSA-N 1 2 341.484 3.354 20 30 EGEDLO Cc1ccn(C[N@H+]2CCS[C@H](C)[C@H]2c2ccccc2)c(=O)c1C#N ZINC000758222200 1300821129 /nfs/dbraw/zinc/82/11/29/1300821129.db2.gz ICTWCIPNTQFRMC-QAPCUYQASA-N 1 2 339.464 3.165 20 30 EGEDLO Cc1ccn(C[N@@H+]2CCS[C@H](C)[C@H]2c2ccccc2)c(=O)c1C#N ZINC000758222200 1300821134 /nfs/dbraw/zinc/82/11/34/1300821134.db2.gz ICTWCIPNTQFRMC-QAPCUYQASA-N 1 2 339.464 3.165 20 30 EGEDLO COC(=O)[C@H](C)Oc1ccc(C=NNc2cc[nH+]c3ccccc23)cc1 ZINC000758369485 1300862574 /nfs/dbraw/zinc/86/25/74/1300862574.db2.gz GZKVJWQLUWBTCI-AWEZNQCLSA-N 1 2 349.390 3.043 20 30 EGEDLO CC1(C)C(=O)Nc2ccc(C(=O)/C=C\c3c[nH+]c4ccccn34)cc21 ZINC000759122930 1301018793 /nfs/dbraw/zinc/01/87/93/1301018793.db2.gz YFCLKRYFRNILCZ-CLFYSBASSA-N 1 2 331.375 3.460 20 30 EGEDLO CC[N@H+](C)[C@H](C(=O)OCc1cc(F)ccc1C#N)c1ccccc1 ZINC000759363807 1301074020 /nfs/dbraw/zinc/07/40/20/1301074020.db2.gz XNIKCYRQZOKHNE-SFHVURJKSA-N 1 2 326.371 3.434 20 30 EGEDLO CC[N@@H+](C)[C@H](C(=O)OCc1cc(F)ccc1C#N)c1ccccc1 ZINC000759363807 1301074030 /nfs/dbraw/zinc/07/40/30/1301074030.db2.gz XNIKCYRQZOKHNE-SFHVURJKSA-N 1 2 326.371 3.434 20 30 EGEDLO C=CC[C@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccncc1 ZINC000759582926 1301121538 /nfs/dbraw/zinc/12/15/38/1301121538.db2.gz REPQPNIDTGASLI-NJAFHUGGSA-N 1 2 339.443 3.188 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)C2)cc1Cl ZINC000761043991 1301388366 /nfs/dbraw/zinc/38/83/66/1301388366.db2.gz GLXAKAVHNRYUIW-JTQLQIEISA-N 1 2 331.725 3.034 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C2)cc1Cl ZINC000761043991 1301388380 /nfs/dbraw/zinc/38/83/80/1301388380.db2.gz GLXAKAVHNRYUIW-JTQLQIEISA-N 1 2 331.725 3.034 20 30 EGEDLO N#Cc1cccc(Oc2ccnc(N3CCC(n4cc[nH+]c4)CC3)n2)c1 ZINC000881870803 1301746109 /nfs/dbraw/zinc/74/61/09/1301746109.db2.gz ABSVKDDQXADEAV-UHFFFAOYSA-N 1 2 346.394 3.179 20 30 EGEDLO C[N@H+](CCCOc1cccc(C#N)c1)Cc1cnn(-c2ccccc2)n1 ZINC000763396623 1301892631 /nfs/dbraw/zinc/89/26/31/1301892631.db2.gz PDFJKXRLLXRSRO-UHFFFAOYSA-N 1 2 347.422 3.040 20 30 EGEDLO C[N@@H+](CCCOc1cccc(C#N)c1)Cc1cnn(-c2ccccc2)n1 ZINC000763396623 1301892641 /nfs/dbraw/zinc/89/26/41/1301892641.db2.gz PDFJKXRLLXRSRO-UHFFFAOYSA-N 1 2 347.422 3.040 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2CCC[C@H]2CC)c1=S ZINC000764972590 1302178673 /nfs/dbraw/zinc/17/86/73/1302178673.db2.gz NKIRCOFHPNEZLO-CQSZACIVSA-N 1 2 329.473 3.494 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2CCC[C@H]2CC)c1=S ZINC000764972590 1302178678 /nfs/dbraw/zinc/17/86/78/1302178678.db2.gz NKIRCOFHPNEZLO-CQSZACIVSA-N 1 2 329.473 3.494 20 30 EGEDLO CC(C)(CCC#N)CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883697871 1302556230 /nfs/dbraw/zinc/55/62/30/1302556230.db2.gz RBQCRAOHBNZWOS-QGZVFWFLSA-N 1 2 339.443 3.254 20 30 EGEDLO CC(C)C[N@H+](CCC#N)Cc1cnc2ccc(Br)cn12 ZINC000768155236 1302840374 /nfs/dbraw/zinc/84/03/74/1302840374.db2.gz WZTLYNPYHLKRSG-UHFFFAOYSA-N 1 2 335.249 3.468 20 30 EGEDLO CC(C)C[N@@H+](CCC#N)Cc1cnc2ccc(Br)cn12 ZINC000768155236 1302840386 /nfs/dbraw/zinc/84/03/86/1302840386.db2.gz WZTLYNPYHLKRSG-UHFFFAOYSA-N 1 2 335.249 3.468 20 30 EGEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(OC)c(OC[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000769975866 1303200730 /nfs/dbraw/zinc/20/07/30/1303200730.db2.gz MXBPDWHDZMKNMX-UONOGXRCSA-N 1 2 334.416 3.482 20 30 EGEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(OC)c(OC[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000769975866 1303200738 /nfs/dbraw/zinc/20/07/38/1303200738.db2.gz MXBPDWHDZMKNMX-UONOGXRCSA-N 1 2 334.416 3.482 20 30 EGEDLO C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)c2ccc(C(C)C)cc2)CC1 ZINC000772116042 1303489331 /nfs/dbraw/zinc/48/93/31/1303489331.db2.gz MVIDCOPQAXEDCH-MRXNPFEDSA-N 1 2 341.451 3.270 20 30 EGEDLO C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CCCc2ccccc21 ZINC000887232178 1303708858 /nfs/dbraw/zinc/70/88/58/1303708858.db2.gz KMXGSXUCZJMXMU-QRVBRYPASA-N 1 2 333.435 3.063 20 30 EGEDLO C#CC[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000775398744 1303956218 /nfs/dbraw/zinc/95/62/18/1303956218.db2.gz LLAIXWIALHQGGK-QGZVFWFLSA-N 1 2 348.362 3.499 20 30 EGEDLO N#Cc1ccc(F)c(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000888354018 1304128432 /nfs/dbraw/zinc/12/84/32/1304128432.db2.gz NJDVJNMBFINSIJ-UHFFFAOYSA-N 1 2 344.415 3.109 20 30 EGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc(C#N)ccc2F)c1C ZINC000888355801 1304129636 /nfs/dbraw/zinc/12/96/36/1304129636.db2.gz WXNMBLSKSBUOSF-UHFFFAOYSA-N 1 2 342.374 3.382 20 30 EGEDLO C#CCCN1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000776594570 1304177454 /nfs/dbraw/zinc/17/74/54/1304177454.db2.gz NKCKWFRKNSJQRM-UHFFFAOYSA-N 1 2 347.462 3.080 20 30 EGEDLO C[C@H]1C[NH+]=C(NN=Cc2ccc(Oc3cc(F)cc(F)c3)cc2)N1 ZINC000779805960 1304607503 /nfs/dbraw/zinc/60/75/03/1304607503.db2.gz WRMLGSKTRDMPBI-NSHDSACASA-N 1 2 330.338 3.028 20 30 EGEDLO N#CCc1ccc(C[NH+]2CCN(C(=O)OCc3ccccc3)CC2)cc1 ZINC000784207296 1305207627 /nfs/dbraw/zinc/20/76/27/1305207627.db2.gz YMUCKLGASBQARZ-UHFFFAOYSA-N 1 2 349.434 3.207 20 30 EGEDLO Fc1cccc(Cl)c1C[NH+]1CCC(=NOC[C@@H]2CCOC2)CC1 ZINC000788034731 1305851528 /nfs/dbraw/zinc/85/15/28/1305851528.db2.gz UTUAUCBBJPPDEI-CYBMUJFWSA-N 1 2 340.826 3.484 20 30 EGEDLO Cc1ccc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)c(N(C)C)[nH+]1 ZINC000790002233 1306246099 /nfs/dbraw/zinc/24/60/99/1306246099.db2.gz XVLACTWYURLZDD-UHFFFAOYSA-N 1 2 347.378 3.235 20 30 EGEDLO CC(C)N(C)c1ccc(C=[NH+]Nc2ccc(F)c([N+](=O)[O-])c2)cn1 ZINC000790177129 1306272372 /nfs/dbraw/zinc/27/23/72/1306272372.db2.gz ZFAWMMPQYMKIEA-UHFFFAOYSA-N 1 2 331.351 3.420 20 30 EGEDLO Cn1cc[nH+]c1NN=Cc1cccc(Br)c1OC(F)F ZINC000790303198 1306295053 /nfs/dbraw/zinc/29/50/53/1306295053.db2.gz RBIVCUWQEXEIKP-UHFFFAOYSA-N 1 2 345.147 3.230 20 30 EGEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccc(C(=O)N(C)C)cc3)n2c1 ZINC000792926473 1309262901 /nfs/dbraw/zinc/26/29/01/1309262901.db2.gz QQSBAESFHWZWOX-KTKRTIGZSA-N 1 2 333.391 3.241 20 30 EGEDLO CSCCO[NH+]=Cc1nc(N(C)C)n(-c2ccccc2)c1Cl ZINC000794574751 1309550560 /nfs/dbraw/zinc/55/05/60/1309550560.db2.gz OBQIHWINVRCRNK-UHFFFAOYSA-N 1 2 338.864 3.305 20 30 EGEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2c(Cl)nc3ccccn32)s1 ZINC000794698732 1309577640 /nfs/dbraw/zinc/57/76/40/1309577640.db2.gz BGKIHKNONHJZLC-SREVYHEPSA-N 1 2 346.843 3.402 20 30 EGEDLO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]Nc1cccc([N+](=O)[O-])c1 ZINC000794858652 1309610559 /nfs/dbraw/zinc/61/05/59/1309610559.db2.gz QRILOEQEWORAAL-UHFFFAOYSA-N 1 2 336.355 3.117 20 30 EGEDLO Cc1cc(Br)cn2c(CN=Nc3cccc(F)n3)c[nH+]c12 ZINC000795009698 1309649451 /nfs/dbraw/zinc/64/94/51/1309649451.db2.gz IUYBCWMSZKTEJY-UHFFFAOYSA-N 1 2 348.179 3.385 20 30 EGEDLO C=C(C)CCc1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000795767394 1309830161 /nfs/dbraw/zinc/83/01/61/1309830161.db2.gz FXALIIABGFSQBT-UHFFFAOYSA-N 1 2 325.328 3.339 20 30 EGEDLO Cc1[nH]c(CNC(=O)c2cn(CCCC#N)c3ccccc23)[nH+]c1C ZINC000896910184 1310079458 /nfs/dbraw/zinc/07/94/58/1310079458.db2.gz KSJRMMMMWQZCTE-UHFFFAOYSA-N 1 2 335.411 3.215 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc(Br)c1O ZINC000797877844 1310260569 /nfs/dbraw/zinc/26/05/69/1310260569.db2.gz DWLFDENZWLZPNT-WFASDCNBSA-N 1 2 326.234 3.226 20 30 EGEDLO CSc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 ZINC000798274436 1310333315 /nfs/dbraw/zinc/33/33/15/1310333315.db2.gz DZEVVLTYRREXSE-GOEBONIOSA-N 1 2 347.484 3.257 20 30 EGEDLO CCc1ccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 ZINC000798275323 1310333552 /nfs/dbraw/zinc/33/35/52/1310333552.db2.gz PWUIYPICCRGUMG-SJORKVTESA-N 1 2 329.444 3.098 20 30 EGEDLO CC(C)(C)OC(=O)N1CCC2(C[NH+](Cc3ccc(C#N)cc3F)C2)C1 ZINC000897895420 1310510319 /nfs/dbraw/zinc/51/03/19/1310510319.db2.gz ZPNXTNUPIRORLS-UHFFFAOYSA-N 1 2 345.418 3.140 20 30 EGEDLO Cc1ccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1C#N ZINC000799377309 1310538806 /nfs/dbraw/zinc/53/88/06/1310538806.db2.gz LCUDTLPNSXTVAJ-UHFFFAOYSA-N 1 2 348.450 3.419 20 30 EGEDLO C[C@H](C#N)OCC[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000801939360 1316969518 /nfs/dbraw/zinc/96/95/18/1316969518.db2.gz SDNBTWPBMZUSFM-IUODEOHRSA-N 1 2 328.334 3.007 20 30 EGEDLO C[C@H](C#N)OCC[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000801939360 1316969520 /nfs/dbraw/zinc/96/95/20/1316969520.db2.gz SDNBTWPBMZUSFM-IUODEOHRSA-N 1 2 328.334 3.007 20 30 EGEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000901440310 1317426645 /nfs/dbraw/zinc/42/66/45/1317426645.db2.gz ZELGWWSERROUTP-GQCTYLIASA-N 1 2 343.402 3.336 20 30 EGEDLO CC1(C)SC(=O)N(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)C1=O ZINC000902589022 1317597221 /nfs/dbraw/zinc/59/72/21/1317597221.db2.gz CLSYAYQEQMHGOU-UHFFFAOYSA-N 1 2 343.452 3.169 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH2+]Cc2ccc3occc3c2)C1 ZINC000809638936 1317854571 /nfs/dbraw/zinc/85/45/71/1317854571.db2.gz GHHBCJBRYUNNOX-HZPDHXFCSA-N 1 2 341.411 3.281 20 30 EGEDLO N#Cc1ccc(C[NH2+]Cc2ncc(C3OCCO3)s2)cc1Cl ZINC000809662715 1317859546 /nfs/dbraw/zinc/85/95/46/1317859546.db2.gz MBJFDTOECOROPB-UHFFFAOYSA-N 1 2 335.816 3.003 20 30 EGEDLO C#CC[C@H](OC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccccn1 ZINC000810570118 1318024714 /nfs/dbraw/zinc/02/47/14/1318024714.db2.gz WLKHEPZXYRGHCD-FQEVSTJZSA-N 1 2 345.402 3.177 20 30 EGEDLO C#C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1ccc(Cl)cc1 ZINC000811516547 1318192476 /nfs/dbraw/zinc/19/24/76/1318192476.db2.gz PBVPSQPUMUTTRF-AWEZNQCLSA-N 1 2 346.770 3.427 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907815789 1318266778 /nfs/dbraw/zinc/26/67/78/1318266778.db2.gz NYJBDXRKLSVORS-HNNXBMFYSA-N 1 2 327.472 3.480 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907815789 1318266787 /nfs/dbraw/zinc/26/67/87/1318266787.db2.gz NYJBDXRKLSVORS-HNNXBMFYSA-N 1 2 327.472 3.480 20 30 EGEDLO C=CCn1c(CC(C)C)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000908643468 1318379057 /nfs/dbraw/zinc/37/90/57/1318379057.db2.gz QBLDEXBGAFRSIB-UHFFFAOYSA-N 1 2 340.475 3.139 20 30 EGEDLO CC(=[NH+]Nc1ccc([N+](=O)[O-])cc1C)c1cc([N+](=O)[O-])ccc1N ZINC000814931199 1318852605 /nfs/dbraw/zinc/85/26/05/1318852605.db2.gz NCKWKAWRIDAQOF-UHFFFAOYSA-N 1 2 329.316 3.230 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)[C@@H](C)c1nc(C(C)C)no1 ZINC000960790173 1318893429 /nfs/dbraw/zinc/89/34/29/1318893429.db2.gz KZDTXTNEIUWFSX-LSDHHAIUSA-N 1 2 348.491 3.389 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)[C@@H](C)c1nc(C(C)C)no1 ZINC000960790173 1318893439 /nfs/dbraw/zinc/89/34/39/1318893439.db2.gz KZDTXTNEIUWFSX-LSDHHAIUSA-N 1 2 348.491 3.389 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1nc(C)c(C)o1 ZINC000960837585 1318969485 /nfs/dbraw/zinc/96/94/85/1318969485.db2.gz JXFKWGGGEQBMMV-LPHOPBHVSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nc(C)c(C)o1 ZINC000960837585 1318969488 /nfs/dbraw/zinc/96/94/88/1318969488.db2.gz JXFKWGGGEQBMMV-LPHOPBHVSA-N 1 2 333.476 3.317 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)C(C)(C)C ZINC000960993340 1319124812 /nfs/dbraw/zinc/12/48/12/1319124812.db2.gz NZJVDOHQTIDGPT-KRWDZBQOSA-N 1 2 331.435 3.166 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)C(C)(C)C ZINC000960993340 1319124820 /nfs/dbraw/zinc/12/48/20/1319124820.db2.gz NZJVDOHQTIDGPT-KRWDZBQOSA-N 1 2 331.435 3.166 20 30 EGEDLO CCCOc1ccc(OCCO[NH+]=C(N)c2ccc(F)cc2)cc1 ZINC000915218834 1319447046 /nfs/dbraw/zinc/44/70/46/1319447046.db2.gz YBZGDEDRXBTBAZ-UHFFFAOYSA-N 1 2 332.375 3.330 20 30 EGEDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)s1 ZINC000818232072 1319524508 /nfs/dbraw/zinc/52/45/08/1319524508.db2.gz PURIQBVEUJTZQY-RYUDHWBXSA-N 1 2 345.424 3.071 20 30 EGEDLO COc1ccc(NC(=S)N[NH+]=C(C)c2ccc(N(C)C)cc2)cc1 ZINC000915925854 1319562593 /nfs/dbraw/zinc/56/25/93/1319562593.db2.gz RKBJKNKRQHDRTM-UHFFFAOYSA-N 1 2 342.468 3.472 20 30 EGEDLO c1ccc(N2CCC(=NNCc3cccc4cccnc43)CC2)[nH+]c1 ZINC000915962763 1319572502 /nfs/dbraw/zinc/57/25/02/1319572502.db2.gz KVFYNRRXKZOGDB-UHFFFAOYSA-N 1 2 331.423 3.376 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000819317584 1319696411 /nfs/dbraw/zinc/69/64/11/1319696411.db2.gz SZICHFJWLUXMKW-UHFFFAOYSA-N 1 2 329.488 3.440 20 30 EGEDLO CCN1C(=O)C(=NN=Cc2ccc(-n3cc[nH+]c3)cc2)c2ccccc21 ZINC000917026015 1319741966 /nfs/dbraw/zinc/74/19/66/1319741966.db2.gz KNQKJRLZKGVBNU-UHFFFAOYSA-N 1 2 343.390 3.062 20 30 EGEDLO C#CC[N@@H+](Cn1c2cc(C)ccc2oc1=O)[C@H]1CCc2ccccc21 ZINC000917615745 1319852160 /nfs/dbraw/zinc/85/21/60/1319852160.db2.gz SAXQFOYUZCETIQ-SFHVURJKSA-N 1 2 332.403 3.483 20 30 EGEDLO C#CC[N@H+](Cn1c2cc(C)ccc2oc1=O)[C@H]1CCc2ccccc21 ZINC000917615745 1319852168 /nfs/dbraw/zinc/85/21/68/1319852168.db2.gz SAXQFOYUZCETIQ-SFHVURJKSA-N 1 2 332.403 3.483 20 30 EGEDLO C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000821299613 1320005679 /nfs/dbraw/zinc/00/56/79/1320005679.db2.gz QGIOUFHYBCZQSJ-KRWDZBQOSA-N 1 2 344.455 3.405 20 30 EGEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1)C(=O)OC ZINC000839166988 1320883661 /nfs/dbraw/zinc/88/36/61/1320883661.db2.gz CCNNQKOQUFBDGU-BMFZPTHFSA-N 1 2 339.357 3.496 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCC(O)(c3ccccc3Cl)CC2)nc1 ZINC000846875506 1321819537 /nfs/dbraw/zinc/81/95/37/1321819537.db2.gz RUNIZQWHTHRALT-UHFFFAOYSA-N 1 2 327.815 3.090 20 30 EGEDLO N#CCSc1ccccc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921207669 1322272666 /nfs/dbraw/zinc/27/26/66/1322272666.db2.gz IQSCICGDYLWSDP-UHFFFAOYSA-N 1 2 348.431 3.418 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(O)(Cc2ccccn2)CC1 ZINC000930985551 1329022341 /nfs/dbraw/zinc/02/23/41/1329022341.db2.gz RTHDRICZDABOLI-UHFFFAOYSA-N 1 2 341.842 3.176 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2CNC(=O)C2CCCC2)c1 ZINC001024299681 1323278854 /nfs/dbraw/zinc/27/88/54/1323278854.db2.gz PKDMUABNMRWVPE-GOSISDBHSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2CNC(=O)C2CCCC2)c1 ZINC001024299681 1323278863 /nfs/dbraw/zinc/27/88/63/1323278863.db2.gz PKDMUABNMRWVPE-GOSISDBHSA-N 1 2 343.446 3.358 20 30 EGEDLO Cc1ccoc1C(=O)NC[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC001024331974 1323320346 /nfs/dbraw/zinc/32/03/46/1323320346.db2.gz UYITYQCTLCCGPL-IBGZPJMESA-N 1 2 336.435 3.224 20 30 EGEDLO Cc1ccoc1C(=O)NC[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC001024331974 1323320348 /nfs/dbraw/zinc/32/03/48/1323320348.db2.gz UYITYQCTLCCGPL-IBGZPJMESA-N 1 2 336.435 3.224 20 30 EGEDLO CC1CC(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cc(C#N)ccc2F)C1 ZINC001024387604 1323360035 /nfs/dbraw/zinc/36/00/35/1323360035.db2.gz QOHHHOYZRSEOHL-JFUPDXTOSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1CC(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cc(C#N)ccc2F)C1 ZINC001024387604 1323360040 /nfs/dbraw/zinc/36/00/40/1323360040.db2.gz QOHHHOYZRSEOHL-JFUPDXTOSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(N(C)CC)cc1 ZINC001024824557 1323728244 /nfs/dbraw/zinc/72/82/44/1323728244.db2.gz LPPRWJIQURHJIG-GOSISDBHSA-N 1 2 349.906 3.480 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(N(C)CC)cc1 ZINC001024824557 1323728247 /nfs/dbraw/zinc/72/82/47/1323728247.db2.gz LPPRWJIQURHJIG-GOSISDBHSA-N 1 2 349.906 3.480 20 30 EGEDLO Cc1csc(NC(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1C#N ZINC000931411342 1329112288 /nfs/dbraw/zinc/11/22/88/1329112288.db2.gz QBPPQCPEKGHLNW-UHFFFAOYSA-N 1 2 341.440 3.432 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NCc1cccc(C(=O)NC2CC2)c1 ZINC000853176907 1325057278 /nfs/dbraw/zinc/05/72/78/1325057278.db2.gz XSCVSEURQDRPOL-UHFFFAOYSA-N 1 2 349.434 3.378 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](O)Cc1cccc(F)c1 ZINC000853651139 1325140792 /nfs/dbraw/zinc/14/07/92/1325140792.db2.gz QXPODYIGPCISDG-KRWDZBQOSA-N 1 2 328.387 3.028 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](c1nnc[nH]1)c1ccccc1 ZINC000853671498 1325144938 /nfs/dbraw/zinc/14/49/38/1325144938.db2.gz VYCGYWWZPNONJO-KRWDZBQOSA-N 1 2 347.422 3.236 20 30 EGEDLO N#Cc1ccc(Cl)c(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000927076316 1327846542 /nfs/dbraw/zinc/84/65/42/1327846542.db2.gz VIWKWAPMQRXUOR-UHFFFAOYSA-N 1 2 340.814 3.323 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@H+](C)Cc3coc(C)n3)C2)CC1 ZINC001027558641 1327869306 /nfs/dbraw/zinc/86/93/06/1327869306.db2.gz DVGSCKTYUKOBME-GOSISDBHSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3coc(C)n3)C2)CC1 ZINC001027558641 1327869315 /nfs/dbraw/zinc/86/93/15/1327869315.db2.gz DVGSCKTYUKOBME-GOSISDBHSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]([N@H+](C)CC(=C)Br)C1 ZINC001027560021 1327876092 /nfs/dbraw/zinc/87/60/92/1327876092.db2.gz NKNINAQDSBMVGF-ZBFHGGJFSA-N 1 2 343.309 3.420 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]([N@@H+](C)CC(=C)Br)C1 ZINC001027560021 1327876096 /nfs/dbraw/zinc/87/60/96/1327876096.db2.gz NKNINAQDSBMVGF-ZBFHGGJFSA-N 1 2 343.309 3.420 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2CNC(=O)c2ccsc2)c1 ZINC001027743667 1328172443 /nfs/dbraw/zinc/17/24/43/1328172443.db2.gz NERKHEGXFBRJMY-INIZCTEOSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2CNC(=O)c2ccsc2)c1 ZINC001027743667 1328172446 /nfs/dbraw/zinc/17/24/46/1328172446.db2.gz NERKHEGXFBRJMY-INIZCTEOSA-N 1 2 343.427 3.153 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C(C)C)nc2)C1 ZINC000966727058 1328394119 /nfs/dbraw/zinc/39/41/19/1328394119.db2.gz XIADJCFKARRMSY-DYVFJYSZSA-N 1 2 335.879 3.398 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C(C)C)nc2)C1 ZINC000966727058 1328394125 /nfs/dbraw/zinc/39/41/25/1328394125.db2.gz XIADJCFKARRMSY-DYVFJYSZSA-N 1 2 335.879 3.398 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1c(C)noc1C(C)C ZINC001027945791 1328418571 /nfs/dbraw/zinc/41/85/71/1328418571.db2.gz IZODAMRFSVYBGS-CYBMUJFWSA-N 1 2 325.840 3.053 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)noc1C(C)C ZINC001027945791 1328418575 /nfs/dbraw/zinc/41/85/75/1328418575.db2.gz IZODAMRFSVYBGS-CYBMUJFWSA-N 1 2 325.840 3.053 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)C12CCC(CC1)C2 ZINC001027970292 1328443962 /nfs/dbraw/zinc/44/39/62/1328443962.db2.gz ACJUSPOYCFMYRJ-BBBYJDLNSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)C12CCC(CC1)C2 ZINC001027970292 1328443967 /nfs/dbraw/zinc/44/39/67/1328443967.db2.gz ACJUSPOYCFMYRJ-BBBYJDLNSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2ccccc2CC)C1 ZINC000966903071 1328463600 /nfs/dbraw/zinc/46/36/00/1328463600.db2.gz ARRXMJQJUUECJV-KDOFPFPSSA-N 1 2 334.891 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2ccccc2CC)C1 ZINC000966903071 1328463604 /nfs/dbraw/zinc/46/36/04/1328463604.db2.gz ARRXMJQJUUECJV-KDOFPFPSSA-N 1 2 334.891 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)cc(OC)c1C ZINC001028004291 1328467494 /nfs/dbraw/zinc/46/74/94/1328467494.db2.gz WVPOOGGOGBUPRH-HNNXBMFYSA-N 1 2 336.863 3.259 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)cc(OC)c1C ZINC001028004291 1328467499 /nfs/dbraw/zinc/46/74/99/1328467499.db2.gz WVPOOGGOGBUPRH-HNNXBMFYSA-N 1 2 336.863 3.259 20 30 EGEDLO CCC(=[NH+]NC(=S)NCCc1cccs1)c1ccc(N)cc1 ZINC000863076513 1329527936 /nfs/dbraw/zinc/52/79/36/1329527936.db2.gz BCCLCZPISFFQFO-UHFFFAOYSA-N 1 2 332.498 3.151 20 30 EGEDLO C=CCC[C@H](O)C[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC000931800008 1329762342 /nfs/dbraw/zinc/76/23/42/1329762342.db2.gz MAQCBJKPNYBPMM-YJBOKZPZSA-N 1 2 331.847 3.338 20 30 EGEDLO C=CCC[C@H](O)C[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC000931800008 1329762344 /nfs/dbraw/zinc/76/23/44/1329762344.db2.gz MAQCBJKPNYBPMM-YJBOKZPZSA-N 1 2 331.847 3.338 20 30 EGEDLO Cc1cc(NCC[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)nc(C(C)C)[nH+]1 ZINC001063266247 1351784152 /nfs/dbraw/zinc/78/41/52/1351784152.db2.gz WVWZWCDTWADYHR-ZBFHGGJFSA-N 1 2 343.475 3.109 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001063294467 1351799801 /nfs/dbraw/zinc/79/98/01/1351799801.db2.gz CTIKZPDMEHRYNK-LPHOPBHVSA-N 1 2 330.476 3.428 20 30 EGEDLO CC(C)C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@@H](C)C1 ZINC000947071579 1333001832 /nfs/dbraw/zinc/00/18/32/1333001832.db2.gz WMVAQEPMSALRHC-DOTOQJQBSA-N 1 2 332.875 3.317 20 30 EGEDLO CC(C)C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@@H](C)C1 ZINC000947071579 1333001834 /nfs/dbraw/zinc/00/18/34/1333001834.db2.gz WMVAQEPMSALRHC-DOTOQJQBSA-N 1 2 332.875 3.317 20 30 EGEDLO CC(C)C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@H](C)C1 ZINC000947071582 1333002030 /nfs/dbraw/zinc/00/20/30/1333002030.db2.gz WMVAQEPMSALRHC-WBVHZDCISA-N 1 2 332.875 3.317 20 30 EGEDLO CC(C)C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@H](C)C1 ZINC000947071582 1333002034 /nfs/dbraw/zinc/00/20/34/1333002034.db2.gz WMVAQEPMSALRHC-WBVHZDCISA-N 1 2 332.875 3.317 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC(CCNc2cc[nH+]c(C)n2)CC1 ZINC001063334561 1351820748 /nfs/dbraw/zinc/82/07/48/1351820748.db2.gz GQFMVBJELDZIGT-IBGZPJMESA-N 1 2 330.476 3.428 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)C2(C)CC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC000947327849 1333090033 /nfs/dbraw/zinc/09/00/33/1333090033.db2.gz KBYPASMXZVUPEH-DOTOQJQBSA-N 1 2 344.886 3.461 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)C2(C)CC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC000947327849 1333090035 /nfs/dbraw/zinc/09/00/35/1333090035.db2.gz KBYPASMXZVUPEH-DOTOQJQBSA-N 1 2 344.886 3.461 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C2(C)CCCC2)C[C@@H]1C ZINC000947588731 1333183989 /nfs/dbraw/zinc/18/39/89/1333183989.db2.gz HMFFTXUWWNNXEQ-UONOGXRCSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CCCC2)C[C@@H]1C ZINC000947588731 1333183993 /nfs/dbraw/zinc/18/39/93/1333183993.db2.gz HMFFTXUWWNNXEQ-UONOGXRCSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(C)C[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cncs1 ZINC000948899520 1333724977 /nfs/dbraw/zinc/72/49/77/1333724977.db2.gz YMPBCKJHWKRGPY-INIZCTEOSA-N 1 2 327.453 3.048 20 30 EGEDLO C=C(C)C[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cncs1 ZINC000948899520 1333724979 /nfs/dbraw/zinc/72/49/79/1333724979.db2.gz YMPBCKJHWKRGPY-INIZCTEOSA-N 1 2 327.453 3.048 20 30 EGEDLO C=C(C)C[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cncs1 ZINC000948899521 1333725203 /nfs/dbraw/zinc/72/52/03/1333725203.db2.gz YMPBCKJHWKRGPY-MRXNPFEDSA-N 1 2 327.453 3.048 20 30 EGEDLO C=C(C)C[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cncs1 ZINC000948899521 1333725205 /nfs/dbraw/zinc/72/52/05/1333725205.db2.gz YMPBCKJHWKRGPY-MRXNPFEDSA-N 1 2 327.453 3.048 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccoc1C1CC1 ZINC000948954976 1333747134 /nfs/dbraw/zinc/74/71/34/1333747134.db2.gz RHMOGNKMKFZLHO-LJQANCHMSA-N 1 2 334.419 3.119 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccoc1C1CC1 ZINC000948954976 1333747137 /nfs/dbraw/zinc/74/71/37/1333747137.db2.gz RHMOGNKMKFZLHO-LJQANCHMSA-N 1 2 334.419 3.119 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[NH+](Cc3cccc(OC(C)C)c3)CC2)C1 ZINC000950373250 1334053407 /nfs/dbraw/zinc/05/34/07/1334053407.db2.gz NYAZGOIWOLCQAI-UHFFFAOYSA-N 1 2 342.483 3.474 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[NH+](Cc3ccc(OC)c(C)c3)CC2)C1 ZINC000950382347 1334056281 /nfs/dbraw/zinc/05/62/81/1334056281.db2.gz BOMLFDPKFJCVQN-UHFFFAOYSA-N 1 2 328.456 3.004 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc3ccc(F)cc3s2)C1 ZINC000950790402 1334129849 /nfs/dbraw/zinc/12/98/49/1334129849.db2.gz BBFWMIMVDSWMCW-UHFFFAOYSA-N 1 2 330.428 3.210 20 30 EGEDLO C#Cc1ccc(C(=O)N(CC)C2C[NH+](Cc3ccc(OC)cc3)C2)cc1 ZINC000951117219 1334185617 /nfs/dbraw/zinc/18/56/17/1334185617.db2.gz IPXYDUCLQQHVNN-UHFFFAOYSA-N 1 2 348.446 3.023 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)on3)CC[C@H]2C)CC1 ZINC000968190386 1335868525 /nfs/dbraw/zinc/86/85/25/1335868525.db2.gz KHHZELYHNJGWEV-RDTXWAMCSA-N 1 2 331.460 3.056 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)on3)CC[C@H]2C)CC1 ZINC000968190386 1335868530 /nfs/dbraw/zinc/86/85/30/1335868530.db2.gz KHHZELYHNJGWEV-RDTXWAMCSA-N 1 2 331.460 3.056 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2C[N@@H+](Cc3nocc3C)CC[C@H]2C)CC1 ZINC000968211775 1335872792 /nfs/dbraw/zinc/87/27/92/1335872792.db2.gz LKKLQLLKVAXPLL-PBHICJAKSA-N 1 2 331.460 3.056 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2C[N@H+](Cc3nocc3C)CC[C@H]2C)CC1 ZINC000968211775 1335872795 /nfs/dbraw/zinc/87/27/95/1335872795.db2.gz LKKLQLLKVAXPLL-PBHICJAKSA-N 1 2 331.460 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2ccc3c(c2)CCC3)C1 ZINC000968638572 1335991840 /nfs/dbraw/zinc/99/18/40/1335991840.db2.gz ABECULVKQVWWHP-AUUYWEPGSA-N 1 2 346.902 3.297 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2ccc3c(c2)CCC3)C1 ZINC000968638572 1335991841 /nfs/dbraw/zinc/99/18/41/1335991841.db2.gz ABECULVKQVWWHP-AUUYWEPGSA-N 1 2 346.902 3.297 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(N(C)CC)cc2)C1 ZINC000968701483 1336017543 /nfs/dbraw/zinc/01/75/43/1336017543.db2.gz GVBPJDALCQLZCO-KBXCAEBGSA-N 1 2 349.906 3.335 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(N(C)CC)cc2)C1 ZINC000968701483 1336017544 /nfs/dbraw/zinc/01/75/44/1336017544.db2.gz GVBPJDALCQLZCO-KBXCAEBGSA-N 1 2 349.906 3.335 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cccc3c2CCCC3)C1 ZINC000969740428 1336241647 /nfs/dbraw/zinc/24/16/47/1336241647.db2.gz VTIIXIHOQDIZGT-AWEZNQCLSA-N 1 2 332.875 3.368 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc3cccc(OC)c3o2)C1 ZINC000970346061 1336295888 /nfs/dbraw/zinc/29/58/88/1336295888.db2.gz MBCUSBQRHGFWQN-GFCCVEGCSA-N 1 2 348.830 3.244 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccccc2-n2cccc2)C1 ZINC000970363755 1336298042 /nfs/dbraw/zinc/29/80/42/1336298042.db2.gz OTSDSQLQWLZITH-HNNXBMFYSA-N 1 2 343.858 3.280 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cccc3ccncc32)C1 ZINC000970671991 1336331803 /nfs/dbraw/zinc/33/18/03/1336331803.db2.gz AXZLGOXUSAHWTF-ZDUSSCGKSA-N 1 2 329.831 3.037 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@H]2CC23CCC3)CC1 ZINC001006061745 1336445068 /nfs/dbraw/zinc/44/50/68/1336445068.db2.gz VLZOMVLSHLCUJF-CQSZACIVSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@H]2C[C@@]2(C)CC)CC1 ZINC001006223596 1336470006 /nfs/dbraw/zinc/47/00/06/1336470006.db2.gz HRMFHKTYACAVKO-GDBMZVCRSA-N 1 2 343.309 3.254 20 30 EGEDLO CC(C)(F)C(=O)N[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001006551861 1336524427 /nfs/dbraw/zinc/52/44/27/1336524427.db2.gz JQDQYTWFIFNMCD-MRXNPFEDSA-N 1 2 336.838 3.020 20 30 EGEDLO CC(C)(F)C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001006551861 1336524429 /nfs/dbraw/zinc/52/44/29/1336524429.db2.gz JQDQYTWFIFNMCD-MRXNPFEDSA-N 1 2 336.838 3.020 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3ccccc3F)C2)s1 ZINC001006592260 1336533464 /nfs/dbraw/zinc/53/34/64/1336533464.db2.gz UWHJEHVBKYQLIL-ZDUSSCGKSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccccc3F)C2)s1 ZINC001006592260 1336533468 /nfs/dbraw/zinc/53/34/68/1336533468.db2.gz UWHJEHVBKYQLIL-ZDUSSCGKSA-N 1 2 343.427 3.153 20 30 EGEDLO Cc1ccsc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001006595496 1336533789 /nfs/dbraw/zinc/53/37/89/1336533789.db2.gz CVXBPBVDPUVCST-CYBMUJFWSA-N 1 2 345.493 3.384 20 30 EGEDLO Cc1ccsc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001006595496 1336533791 /nfs/dbraw/zinc/53/37/91/1336533791.db2.gz CVXBPBVDPUVCST-CYBMUJFWSA-N 1 2 345.493 3.384 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](NC(=O)C[C@H]3C=CCC3)C2)c1 ZINC001006702696 1336559797 /nfs/dbraw/zinc/55/97/97/1336559797.db2.gz GZDIKOBATFLTQT-YJBOKZPZSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](NC(=O)C[C@H]3C=CCC3)C2)c1 ZINC001006702696 1336559798 /nfs/dbraw/zinc/55/97/98/1336559798.db2.gz GZDIKOBATFLTQT-YJBOKZPZSA-N 1 2 341.430 3.134 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1)C1CCC1 ZINC001007596007 1336673772 /nfs/dbraw/zinc/67/37/72/1336673772.db2.gz MXUJPGJJIIASKH-HNAYVOBHSA-N 1 2 325.456 3.075 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1)C1CCC1 ZINC001007596007 1336673776 /nfs/dbraw/zinc/67/37/76/1336673776.db2.gz MXUJPGJJIIASKH-HNAYVOBHSA-N 1 2 325.456 3.075 20 30 EGEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3cccc(C)c3s2)C1 ZINC001007691909 1336688118 /nfs/dbraw/zinc/68/81/18/1336688118.db2.gz JNQTULXAAXYCHG-INIZCTEOSA-N 1 2 326.465 3.427 20 30 EGEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cc3cccc(C)c3s2)C1 ZINC001007691909 1336688122 /nfs/dbraw/zinc/68/81/22/1336688122.db2.gz JNQTULXAAXYCHG-INIZCTEOSA-N 1 2 326.465 3.427 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC=C(Cl)Cl)C2)cc1 ZINC001008151063 1336780932 /nfs/dbraw/zinc/78/09/32/1336780932.db2.gz XSMBEGXPPBGJRJ-HNNXBMFYSA-N 1 2 337.250 3.181 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC=C(Cl)Cl)C2)cc1 ZINC001008151063 1336780933 /nfs/dbraw/zinc/78/09/33/1336780933.db2.gz XSMBEGXPPBGJRJ-HNNXBMFYSA-N 1 2 337.250 3.181 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001008207518 1336793315 /nfs/dbraw/zinc/79/33/15/1336793315.db2.gz IBIJYDTXYPOMKX-DLBZAZTESA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001008207518 1336793318 /nfs/dbraw/zinc/79/33/18/1336793318.db2.gz IBIJYDTXYPOMKX-DLBZAZTESA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001008207521 1336793538 /nfs/dbraw/zinc/79/35/38/1336793538.db2.gz IBIJYDTXYPOMKX-SJORKVTESA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001008207521 1336793541 /nfs/dbraw/zinc/79/35/41/1336793541.db2.gz IBIJYDTXYPOMKX-SJORKVTESA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2nccc3ccccc32)C1 ZINC001008338011 1336826078 /nfs/dbraw/zinc/82/60/78/1336826078.db2.gz BIAPBYGGEZBKMF-HNNXBMFYSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2nccc3ccccc32)C1 ZINC001008338011 1336826081 /nfs/dbraw/zinc/82/60/81/1336826081.db2.gz BIAPBYGGEZBKMF-HNNXBMFYSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cn3)C2)CC1 ZINC001008413306 1336846028 /nfs/dbraw/zinc/84/60/28/1336846028.db2.gz VDLHXWNNWJGVCZ-GOSISDBHSA-N 1 2 331.435 3.048 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cn3)C2)CC1 ZINC001008413306 1336846030 /nfs/dbraw/zinc/84/60/30/1336846030.db2.gz VDLHXWNNWJGVCZ-GOSISDBHSA-N 1 2 331.435 3.048 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)C2CCC(F)CC2)C1 ZINC001008428604 1336850658 /nfs/dbraw/zinc/85/06/58/1336850658.db2.gz MBGKYZGLUZBSNE-XUJQIHCRSA-N 1 2 343.446 3.167 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)C2CCC(F)CC2)C1 ZINC001008428604 1336850660 /nfs/dbraw/zinc/85/06/60/1336850660.db2.gz MBGKYZGLUZBSNE-XUJQIHCRSA-N 1 2 343.446 3.167 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3ccnc(Cl)c3)C2)C1 ZINC001008437343 1336852592 /nfs/dbraw/zinc/85/25/92/1336852592.db2.gz LHMJMCXOTHQUEE-HNNXBMFYSA-N 1 2 333.863 3.172 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3ccnc(Cl)c3)C2)C1 ZINC001008437343 1336852595 /nfs/dbraw/zinc/85/25/95/1336852595.db2.gz LHMJMCXOTHQUEE-HNNXBMFYSA-N 1 2 333.863 3.172 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001008438472 1336853258 /nfs/dbraw/zinc/85/32/58/1336853258.db2.gz ZJUXCKFWSNBSLM-KRWDZBQOSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001008438472 1336853262 /nfs/dbraw/zinc/85/32/62/1336853262.db2.gz ZJUXCKFWSNBSLM-KRWDZBQOSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cc(F)cc3cccnc32)C1 ZINC001008746786 1336919169 /nfs/dbraw/zinc/91/91/69/1336919169.db2.gz HWPNXKCMYJNUFA-HNNXBMFYSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cc(F)cc3cccnc32)C1 ZINC001008746786 1336919171 /nfs/dbraw/zinc/91/91/71/1336919171.db2.gz HWPNXKCMYJNUFA-HNNXBMFYSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cccc3c2ccn3C)C1 ZINC001008875341 1336936324 /nfs/dbraw/zinc/93/63/24/1336936324.db2.gz LSFVRJRWLCHEAV-AWEZNQCLSA-N 1 2 331.847 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cccc3c2ccn3C)C1 ZINC001008875341 1336936325 /nfs/dbraw/zinc/93/63/25/1336936325.db2.gz LSFVRJRWLCHEAV-AWEZNQCLSA-N 1 2 331.847 3.125 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1)c1ccccc1 ZINC001009262374 1336993025 /nfs/dbraw/zinc/99/30/25/1336993025.db2.gz FVWVLWNWSLXUHY-UTKZUKDTSA-N 1 2 347.462 3.443 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1)c1ccccc1 ZINC001009262374 1336993026 /nfs/dbraw/zinc/99/30/26/1336993026.db2.gz FVWVLWNWSLXUHY-UTKZUKDTSA-N 1 2 347.462 3.443 20 30 EGEDLO Cc1ccccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001009980439 1337132046 /nfs/dbraw/zinc/13/20/46/1337132046.db2.gz PEZHOEBKHSVDKL-QGZVFWFLSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1ccccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001009980439 1337132047 /nfs/dbraw/zinc/13/20/47/1337132047.db2.gz PEZHOEBKHSVDKL-QGZVFWFLSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1occc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001010128433 1337146008 /nfs/dbraw/zinc/14/60/08/1337146008.db2.gz VKMQUONDJMTQQI-QGZVFWFLSA-N 1 2 342.826 3.097 20 30 EGEDLO Cc1occc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001010128433 1337146010 /nfs/dbraw/zinc/14/60/10/1337146010.db2.gz VKMQUONDJMTQQI-QGZVFWFLSA-N 1 2 342.826 3.097 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)C2CCCCCC2)C1 ZINC001010367044 1337183314 /nfs/dbraw/zinc/18/33/14/1337183314.db2.gz PMZNBNGHLXJBFI-IBGZPJMESA-N 1 2 325.456 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)C2CCCCCC2)C1 ZINC001010367044 1337183316 /nfs/dbraw/zinc/18/33/16/1337183316.db2.gz PMZNBNGHLXJBFI-IBGZPJMESA-N 1 2 325.456 3.219 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(F)=C3CCCC3)C2)c(F)c1 ZINC001010569532 1337225312 /nfs/dbraw/zinc/22/53/12/1337225312.db2.gz ZYAYVBMPNWQGJZ-MRXNPFEDSA-N 1 2 345.393 3.185 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(F)=C3CCCC3)C2)c(F)c1 ZINC001010569532 1337225314 /nfs/dbraw/zinc/22/53/14/1337225314.db2.gz ZYAYVBMPNWQGJZ-MRXNPFEDSA-N 1 2 345.393 3.185 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C3=CCCCCC3)C2)c(F)c1 ZINC001010741777 1337251208 /nfs/dbraw/zinc/25/12/08/1337251208.db2.gz QOZPBVDPYQJUKJ-GOSISDBHSA-N 1 2 341.430 3.278 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C3=CCCCCC3)C2)c(F)c1 ZINC001010741777 1337251211 /nfs/dbraw/zinc/25/12/11/1337251211.db2.gz QOZPBVDPYQJUKJ-GOSISDBHSA-N 1 2 341.430 3.278 20 30 EGEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@]12C[C@H]1CCC2 ZINC001015340152 1338105600 /nfs/dbraw/zinc/10/56/00/1338105600.db2.gz DBWQSHMULRFVQA-IMFGXOCKSA-N 1 2 342.870 3.072 20 30 EGEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@]12C[C@H]1CCC2 ZINC001015340152 1338105603 /nfs/dbraw/zinc/10/56/03/1338105603.db2.gz DBWQSHMULRFVQA-IMFGXOCKSA-N 1 2 342.870 3.072 20 30 EGEDLO CC(C)c1ccoc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001015601482 1338202825 /nfs/dbraw/zinc/20/28/25/1338202825.db2.gz PLWIAZODASXPCC-SFHVURJKSA-N 1 2 336.435 3.259 20 30 EGEDLO CC(C)c1ccoc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001015601482 1338202826 /nfs/dbraw/zinc/20/28/26/1338202826.db2.gz PLWIAZODASXPCC-SFHVURJKSA-N 1 2 336.435 3.259 20 30 EGEDLO CC1(C)CC[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001015671305 1338248430 /nfs/dbraw/zinc/24/84/30/1338248430.db2.gz VTCNTNVUZVKALF-NVXWUHKLSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001015671305 1338248434 /nfs/dbraw/zinc/24/84/34/1338248434.db2.gz VTCNTNVUZVKALF-NVXWUHKLSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1)c1cccs1 ZINC001015691199 1338262174 /nfs/dbraw/zinc/26/21/74/1338262174.db2.gz ZPYMLVKMFQVOJB-RHSMWYFYSA-N 1 2 339.464 3.114 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1)c1cccs1 ZINC001015691199 1338262178 /nfs/dbraw/zinc/26/21/78/1338262178.db2.gz ZPYMLVKMFQVOJB-RHSMWYFYSA-N 1 2 339.464 3.114 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(F)F)c(F)c2)C1 ZINC001015699591 1338267142 /nfs/dbraw/zinc/26/71/42/1338267142.db2.gz QJKZULCWGJGIJG-LLVKDONJSA-N 1 2 332.753 3.320 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(F)F)c(F)c2)C1 ZINC001015699591 1338267144 /nfs/dbraw/zinc/26/71/44/1338267144.db2.gz QJKZULCWGJGIJG-LLVKDONJSA-N 1 2 332.753 3.320 20 30 EGEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ccsc1Cl ZINC001015794613 1338314022 /nfs/dbraw/zinc/31/40/22/1338314022.db2.gz LTUKGLHMXDHKES-HNNXBMFYSA-N 1 2 344.867 3.257 20 30 EGEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ccsc1Cl ZINC001015794613 1338314027 /nfs/dbraw/zinc/31/40/27/1338314027.db2.gz LTUKGLHMXDHKES-HNNXBMFYSA-N 1 2 344.867 3.257 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)cs1 ZINC001015845396 1338333253 /nfs/dbraw/zinc/33/32/53/1338333253.db2.gz AFYADRNXNJHTFI-MRXNPFEDSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)cs1 ZINC001015845396 1338333255 /nfs/dbraw/zinc/33/32/55/1338333255.db2.gz AFYADRNXNJHTFI-MRXNPFEDSA-N 1 2 343.427 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccc2OCC(C)C)C1 ZINC001015863018 1338338498 /nfs/dbraw/zinc/33/84/98/1338338498.db2.gz SHRVXOQGRQFXQP-HNNXBMFYSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2OCC(C)C)C1 ZINC001015863018 1338338500 /nfs/dbraw/zinc/33/85/00/1338338500.db2.gz SHRVXOQGRQFXQP-HNNXBMFYSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3nc(C)ccc3c2)C1 ZINC001015884235 1338346162 /nfs/dbraw/zinc/34/61/62/1338346162.db2.gz SQRKTNQJNJKZHX-INIZCTEOSA-N 1 2 329.831 3.100 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3nc(C)ccc3c2)C1 ZINC001015884235 1338346165 /nfs/dbraw/zinc/34/61/65/1338346165.db2.gz SQRKTNQJNJKZHX-INIZCTEOSA-N 1 2 329.831 3.100 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001016034299 1338419410 /nfs/dbraw/zinc/41/94/10/1338419410.db2.gz OOSADRYMOCZFNC-QGPMSJSTSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001016034299 1338419413 /nfs/dbraw/zinc/41/94/13/1338419413.db2.gz OOSADRYMOCZFNC-QGPMSJSTSA-N 1 2 343.446 3.214 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2occ3c2CCCC3)C1 ZINC001016102094 1338463748 /nfs/dbraw/zinc/46/37/48/1338463748.db2.gz TXGRCLUPDJPQDG-GOSISDBHSA-N 1 2 349.434 3.034 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2occ3c2CCCC3)C1 ZINC001016102094 1338463753 /nfs/dbraw/zinc/46/37/53/1338463753.db2.gz TXGRCLUPDJPQDG-GOSISDBHSA-N 1 2 349.434 3.034 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(c3ccccc3C)CCC2)C1 ZINC001016125559 1338469833 /nfs/dbraw/zinc/46/98/33/1338469833.db2.gz ZTILMTLUAFUMTK-INIZCTEOSA-N 1 2 332.875 3.360 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(c3ccccc3C)CCC2)C1 ZINC001016125559 1338469837 /nfs/dbraw/zinc/46/98/37/1338469837.db2.gz ZTILMTLUAFUMTK-INIZCTEOSA-N 1 2 332.875 3.360 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2CC3(CCC3)C2)c1 ZINC001017822858 1339426807 /nfs/dbraw/zinc/42/68/07/1339426807.db2.gz MOVYGAOJIGQNEV-BGYRXZFFSA-N 1 2 349.478 3.314 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2CC3(CCC3)C2)c1 ZINC001017822858 1339426810 /nfs/dbraw/zinc/42/68/10/1339426810.db2.gz MOVYGAOJIGQNEV-BGYRXZFFSA-N 1 2 349.478 3.314 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(c2ccc(C)cc2)CCC1 ZINC001018323958 1339577552 /nfs/dbraw/zinc/57/75/52/1339577552.db2.gz GKFKFXXQTDDYHS-BGYRXZFFSA-N 1 2 336.479 3.115 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(c2ccc(C)cc2)CCC1 ZINC001018323958 1339577557 /nfs/dbraw/zinc/57/75/57/1339577557.db2.gz GKFKFXXQTDDYHS-BGYRXZFFSA-N 1 2 336.479 3.115 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC001028059015 1340402738 /nfs/dbraw/zinc/40/27/38/1340402738.db2.gz PYJIOAOCGZPLRP-SECBINFHSA-N 1 2 336.650 3.268 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC001028059015 1340402740 /nfs/dbraw/zinc/40/27/40/1340402740.db2.gz PYJIOAOCGZPLRP-SECBINFHSA-N 1 2 336.650 3.268 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)c(Cl)c1 ZINC001028108795 1340432575 /nfs/dbraw/zinc/43/25/75/1340432575.db2.gz XJHSRTRSUGWWFW-GFCCVEGCSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)c(Cl)c1 ZINC001028108795 1340432576 /nfs/dbraw/zinc/43/25/76/1340432576.db2.gz XJHSRTRSUGWWFW-GFCCVEGCSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)[C@H](C)CO2 ZINC001028092933 1340421854 /nfs/dbraw/zinc/42/18/54/1340421854.db2.gz ZLAHPQVWAMNSMW-IUODEOHRSA-N 1 2 334.847 3.129 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)[C@H](C)CO2 ZINC001028092933 1340421858 /nfs/dbraw/zinc/42/18/58/1340421858.db2.gz ZLAHPQVWAMNSMW-IUODEOHRSA-N 1 2 334.847 3.129 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)cc1OC ZINC001028104299 1340427341 /nfs/dbraw/zinc/42/73/41/1340427341.db2.gz AEMFNBXVMJMGOW-CYBMUJFWSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)cc1OC ZINC001028104299 1340427342 /nfs/dbraw/zinc/42/73/42/1340427342.db2.gz AEMFNBXVMJMGOW-CYBMUJFWSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H](C)c2nc(CC)no2)CC1 ZINC001028116102 1340437809 /nfs/dbraw/zinc/43/78/09/1340437809.db2.gz CHRWIDVPLOBDTG-HOCLYGCPSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H](C)c2nc(CC)no2)CC1 ZINC001028116102 1340437811 /nfs/dbraw/zinc/43/78/11/1340437811.db2.gz CHRWIDVPLOBDTG-HOCLYGCPSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@H+]2[C@@H](C)c2ncc(C)o2)CC1 ZINC001028117675 1340437965 /nfs/dbraw/zinc/43/79/65/1340437965.db2.gz RQTHUAHVROJBRT-DOTOQJQBSA-N 1 2 331.460 3.371 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H](C)c2ncc(C)o2)CC1 ZINC001028117675 1340437968 /nfs/dbraw/zinc/43/79/68/1340437968.db2.gz RQTHUAHVROJBRT-DOTOQJQBSA-N 1 2 331.460 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccn(C(CC)CC)n1 ZINC001028182105 1340472968 /nfs/dbraw/zinc/47/29/68/1340472968.db2.gz OGZRKWJTXZEAFD-HNNXBMFYSA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccn(C(CC)CC)n1 ZINC001028182105 1340472969 /nfs/dbraw/zinc/47/29/69/1340472969.db2.gz OGZRKWJTXZEAFD-HNNXBMFYSA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2ccncc2c1 ZINC001028245854 1340506663 /nfs/dbraw/zinc/50/66/63/1340506663.db2.gz KXLFMLITHCZPRS-KRWDZBQOSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2ccncc2c1 ZINC001028245854 1340506666 /nfs/dbraw/zinc/50/66/66/1340506666.db2.gz KXLFMLITHCZPRS-KRWDZBQOSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc2nc(C)ccc2o1 ZINC001028278311 1340532180 /nfs/dbraw/zinc/53/21/80/1340532180.db2.gz KNNZSBRXVQZOBB-ZDUSSCGKSA-N 1 2 333.819 3.083 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc2nc(C)ccc2o1 ZINC001028278311 1340532183 /nfs/dbraw/zinc/53/21/83/1340532183.db2.gz KNNZSBRXVQZOBB-ZDUSSCGKSA-N 1 2 333.819 3.083 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2ncsc2c1 ZINC001028300503 1340549148 /nfs/dbraw/zinc/54/91/48/1340549148.db2.gz ZOSQJSYOSGIENI-ZDUSSCGKSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2ncsc2c1 ZINC001028300503 1340549152 /nfs/dbraw/zinc/54/91/52/1340549152.db2.gz ZOSQJSYOSGIENI-ZDUSSCGKSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc2oc(C)nc21 ZINC001028341801 1340580763 /nfs/dbraw/zinc/58/07/63/1340580763.db2.gz VDPMKKWKLHERQQ-ZDUSSCGKSA-N 1 2 333.819 3.083 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc2oc(C)nc21 ZINC001028341801 1340580765 /nfs/dbraw/zinc/58/07/65/1340580765.db2.gz VDPMKKWKLHERQQ-ZDUSSCGKSA-N 1 2 333.819 3.083 20 30 EGEDLO O=C([C@H]1CC=CCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029209323 1340955182 /nfs/dbraw/zinc/95/51/82/1340955182.db2.gz SNGJUECWVVQDRZ-PCCBWWKXSA-N 1 2 334.463 3.070 20 30 EGEDLO O=C([C@H]1CC=CCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029209323 1340955183 /nfs/dbraw/zinc/95/51/83/1340955183.db2.gz SNGJUECWVVQDRZ-PCCBWWKXSA-N 1 2 334.463 3.070 20 30 EGEDLO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C(F)F)c1 ZINC001029302623 1340969189 /nfs/dbraw/zinc/96/91/89/1340969189.db2.gz LUXPDHCSENYZAQ-HDICACEKSA-N 1 2 344.405 3.213 20 30 EGEDLO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C(F)F)c1 ZINC001029302623 1340969190 /nfs/dbraw/zinc/96/91/90/1340969190.db2.gz LUXPDHCSENYZAQ-HDICACEKSA-N 1 2 344.405 3.213 20 30 EGEDLO CCc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccc(C#N)c2)o1 ZINC001029363441 1340978054 /nfs/dbraw/zinc/97/80/54/1340978054.db2.gz RJQDVDXNOUFWTO-HDICACEKSA-N 1 2 349.434 3.203 20 30 EGEDLO CCc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccc(C#N)c2)o1 ZINC001029363441 1340978055 /nfs/dbraw/zinc/97/80/55/1340978055.db2.gz RJQDVDXNOUFWTO-HDICACEKSA-N 1 2 349.434 3.203 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(F)cc1 ZINC001029423223 1340986643 /nfs/dbraw/zinc/98/66/43/1340986643.db2.gz RTASHZPNWGSFQZ-KDURUIRLSA-N 1 2 340.442 3.065 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001029423223 1340986644 /nfs/dbraw/zinc/98/66/44/1340986644.db2.gz RTASHZPNWGSFQZ-KDURUIRLSA-N 1 2 340.442 3.065 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)CC1 ZINC001029455183 1340993893 /nfs/dbraw/zinc/99/38/93/1340993893.db2.gz VDATYGGUWQDUPG-SZPZYZBQSA-N 1 2 348.490 3.460 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)CC1 ZINC001029455183 1340993894 /nfs/dbraw/zinc/99/38/94/1340993894.db2.gz VDATYGGUWQDUPG-SZPZYZBQSA-N 1 2 348.490 3.460 20 30 EGEDLO CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1)C(F)F ZINC001029466168 1340996963 /nfs/dbraw/zinc/99/69/63/1340996963.db2.gz FBYIOLPNLDFZJM-CALCHBBNSA-N 1 2 346.421 3.005 20 30 EGEDLO CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1)C(F)F ZINC001029466168 1340996964 /nfs/dbraw/zinc/99/69/64/1340996964.db2.gz FBYIOLPNLDFZJM-CALCHBBNSA-N 1 2 346.421 3.005 20 30 EGEDLO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1)c1ccco1 ZINC001029469398 1340997362 /nfs/dbraw/zinc/99/73/62/1340997362.db2.gz IXFUMFRIRZBSIG-RLLQIKCJSA-N 1 2 348.446 3.110 20 30 EGEDLO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1)c1ccco1 ZINC001029469398 1340997363 /nfs/dbraw/zinc/99/73/63/1340997363.db2.gz IXFUMFRIRZBSIG-RLLQIKCJSA-N 1 2 348.446 3.110 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001029499853 1341001450 /nfs/dbraw/zinc/00/14/50/1341001450.db2.gz SPNDGHAGLYIWLA-LZQZEXGQSA-N 1 2 325.456 3.026 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001029499853 1341001452 /nfs/dbraw/zinc/00/14/52/1341001452.db2.gz SPNDGHAGLYIWLA-LZQZEXGQSA-N 1 2 325.456 3.026 20 30 EGEDLO CC(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001029534644 1341006647 /nfs/dbraw/zinc/00/66/47/1341006647.db2.gz ODJLZXDVZLYGTF-ZGXWSNOMSA-N 1 2 337.467 3.026 20 30 EGEDLO CC(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001029534644 1341006648 /nfs/dbraw/zinc/00/66/48/1341006648.db2.gz ODJLZXDVZLYGTF-ZGXWSNOMSA-N 1 2 337.467 3.026 20 30 EGEDLO CC[C@H](C)C(=O)N1CC2(C1)CC[N@H+](CC#Cc1ccccc1Cl)C2 ZINC001072482711 1355305349 /nfs/dbraw/zinc/30/53/49/1355305349.db2.gz UNXFPVURFOMABC-INIZCTEOSA-N 1 2 344.886 3.272 20 30 EGEDLO CC[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](CC#Cc1ccccc1Cl)C2 ZINC001072482711 1355305355 /nfs/dbraw/zinc/30/53/55/1355305355.db2.gz UNXFPVURFOMABC-INIZCTEOSA-N 1 2 344.886 3.272 20 30 EGEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)C1CCCCCC1 ZINC001031575211 1341370616 /nfs/dbraw/zinc/37/06/16/1341370616.db2.gz JMYZNNCFNUGXHX-UHFFFAOYSA-N 1 2 342.458 3.196 20 30 EGEDLO C[C@H]1CCC[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001031939479 1341426909 /nfs/dbraw/zinc/42/69/09/1341426909.db2.gz UMKXTJWYVNNJNR-YOEHRIQHSA-N 1 2 343.446 3.072 20 30 EGEDLO C=C1CCC(C(=O)NCC2C[NH+](Cc3nc(C)sc3C)C2)CC1 ZINC001031951425 1341429972 /nfs/dbraw/zinc/42/99/72/1341429972.db2.gz HRNTULSQWCADFD-UHFFFAOYSA-N 1 2 333.501 3.054 20 30 EGEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cccc(Cl)c2)C1 ZINC001032145277 1341462932 /nfs/dbraw/zinc/46/29/32/1341462932.db2.gz VOTWPOXVQZNQMX-UHFFFAOYSA-N 1 2 339.826 3.073 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc(COC(C)C)cc2)C1 ZINC001032179262 1341469909 /nfs/dbraw/zinc/46/99/09/1341469909.db2.gz MBDFQMMUHWOKRY-UHFFFAOYSA-N 1 2 336.863 3.026 20 30 EGEDLO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCc2ccc(Cl)cc21 ZINC001032396632 1341506587 /nfs/dbraw/zinc/50/65/87/1341506587.db2.gz AZFPLCRGDQFSKS-LNLFQRSKSA-N 1 2 340.854 3.026 20 30 EGEDLO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCc2ccc(Cl)cc21 ZINC001032396632 1341506588 /nfs/dbraw/zinc/50/65/88/1341506588.db2.gz AZFPLCRGDQFSKS-LNLFQRSKSA-N 1 2 340.854 3.026 20 30 EGEDLO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCc2c1cccc2Cl ZINC001032396816 1341506691 /nfs/dbraw/zinc/50/66/91/1341506691.db2.gz GKJQJCNOGQUWMP-YZVOILCLSA-N 1 2 340.854 3.026 20 30 EGEDLO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCc2c1cccc2Cl ZINC001032396816 1341506692 /nfs/dbraw/zinc/50/66/92/1341506692.db2.gz GKJQJCNOGQUWMP-YZVOILCLSA-N 1 2 340.854 3.026 20 30 EGEDLO Cc1ccc(F)cc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032547820 1341537867 /nfs/dbraw/zinc/53/78/67/1341537867.db2.gz RAVVYUPIGSSIOG-OALUTQOASA-N 1 2 349.409 3.105 20 30 EGEDLO Cc1ccc(F)cc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032547820 1341537869 /nfs/dbraw/zinc/53/78/69/1341537869.db2.gz RAVVYUPIGSSIOG-OALUTQOASA-N 1 2 349.409 3.105 20 30 EGEDLO CC1(C)CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)C1 ZINC001032608484 1341557665 /nfs/dbraw/zinc/55/76/65/1341557665.db2.gz PCVHVKAOCMDEAE-FHWLQOOXSA-N 1 2 337.467 3.170 20 30 EGEDLO CC1(C)CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)C1 ZINC001032608484 1341557666 /nfs/dbraw/zinc/55/76/66/1341557666.db2.gz PCVHVKAOCMDEAE-FHWLQOOXSA-N 1 2 337.467 3.170 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCc2c(F)cccc2F)C1 ZINC001032614428 1341559773 /nfs/dbraw/zinc/55/97/73/1341559773.db2.gz PMMWWTUEIYYWCF-GJZGRUSLSA-N 1 2 346.421 3.149 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCc2c(F)cccc2F)C1 ZINC001032614428 1341559774 /nfs/dbraw/zinc/55/97/74/1341559774.db2.gz PMMWWTUEIYYWCF-GJZGRUSLSA-N 1 2 346.421 3.149 20 30 EGEDLO CN(C(=O)c1cccs1)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001032876617 1341646941 /nfs/dbraw/zinc/64/69/41/1341646941.db2.gz PSCQDJDRFGHFEE-QGZVFWFLSA-N 1 2 342.439 3.085 20 30 EGEDLO CN(C(=O)c1cccs1)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001032876617 1341646942 /nfs/dbraw/zinc/64/69/42/1341646942.db2.gz PSCQDJDRFGHFEE-QGZVFWFLSA-N 1 2 342.439 3.085 20 30 EGEDLO C[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1)C1CC1 ZINC001032981301 1341683629 /nfs/dbraw/zinc/68/36/29/1341683629.db2.gz DYQHUJXCFDCESE-YJBOKZPZSA-N 1 2 344.886 3.270 20 30 EGEDLO C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1)C1CC1 ZINC001032981301 1341683630 /nfs/dbraw/zinc/68/36/30/1341683630.db2.gz DYQHUJXCFDCESE-YJBOKZPZSA-N 1 2 344.886 3.270 20 30 EGEDLO CN(C(=O)C1(C)CC1)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033098443 1341721057 /nfs/dbraw/zinc/72/10/57/1341721057.db2.gz JWFVOXAVAOZRHI-INIZCTEOSA-N 1 2 330.859 3.024 20 30 EGEDLO CN(C(=O)C1(C)CC1)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033098443 1341721059 /nfs/dbraw/zinc/72/10/59/1341721059.db2.gz JWFVOXAVAOZRHI-INIZCTEOSA-N 1 2 330.859 3.024 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001033318150 1341779234 /nfs/dbraw/zinc/77/92/34/1341779234.db2.gz PAYXWIYQXWPZNU-AWEZNQCLSA-N 1 2 335.810 3.206 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001033318150 1341779235 /nfs/dbraw/zinc/77/92/35/1341779235.db2.gz PAYXWIYQXWPZNU-AWEZNQCLSA-N 1 2 335.810 3.206 20 30 EGEDLO CN(C(=O)[C@]1(C)C=CCC1)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033329548 1341783046 /nfs/dbraw/zinc/78/30/46/1341783046.db2.gz AZAZPZJAGASKHK-AZUAARDMSA-N 1 2 341.430 3.086 20 30 EGEDLO CN(C(=O)[C@]1(C)C=CCC1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033329548 1341783047 /nfs/dbraw/zinc/78/30/47/1341783047.db2.gz AZAZPZJAGASKHK-AZUAARDMSA-N 1 2 341.430 3.086 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2-n2cccc2)C1 ZINC001033390659 1341809426 /nfs/dbraw/zinc/80/94/26/1341809426.db2.gz LQLPVVYCAKJJHU-INIZCTEOSA-N 1 2 343.858 3.376 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2-n2cccc2)C1 ZINC001033390659 1341809427 /nfs/dbraw/zinc/80/94/27/1341809427.db2.gz LQLPVVYCAKJJHU-INIZCTEOSA-N 1 2 343.858 3.376 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCc3ccccc32)C1 ZINC001033517860 1341855468 /nfs/dbraw/zinc/85/54/68/1341855468.db2.gz IMXAALFJZKFSKJ-IAGOWNOFSA-N 1 2 332.875 3.392 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCc3ccccc32)C1 ZINC001033517860 1341855469 /nfs/dbraw/zinc/85/54/69/1341855469.db2.gz IMXAALFJZKFSKJ-IAGOWNOFSA-N 1 2 332.875 3.392 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc3ccncc32)C1 ZINC001033548382 1341866663 /nfs/dbraw/zinc/86/66/63/1341866663.db2.gz QCQUYSLYOZDHHZ-HNNXBMFYSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3ccncc32)C1 ZINC001033548382 1341866664 /nfs/dbraw/zinc/86/66/64/1341866664.db2.gz QCQUYSLYOZDHHZ-HNNXBMFYSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnn([C@H](C)CC)c2C)C1 ZINC001033568833 1341877579 /nfs/dbraw/zinc/87/75/79/1341877579.db2.gz NRKLRHCAXYJQHH-HIFRSBDPSA-N 1 2 338.883 3.061 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnn([C@H](C)CC)c2C)C1 ZINC001033568833 1341877580 /nfs/dbraw/zinc/87/75/80/1341877580.db2.gz NRKLRHCAXYJQHH-HIFRSBDPSA-N 1 2 338.883 3.061 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001033580679 1341881931 /nfs/dbraw/zinc/88/19/31/1341881931.db2.gz GZWYCZBRWHLRGC-KBPBESRZSA-N 1 2 326.893 3.445 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001033580679 1341881933 /nfs/dbraw/zinc/88/19/33/1341881933.db2.gz GZWYCZBRWHLRGC-KBPBESRZSA-N 1 2 326.893 3.445 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2OC(C)C)C1 ZINC001033602632 1341892622 /nfs/dbraw/zinc/89/26/22/1341892622.db2.gz ODEAYCLMIZNSNC-HNNXBMFYSA-N 1 2 336.863 3.373 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2OC(C)C)C1 ZINC001033602632 1341892623 /nfs/dbraw/zinc/89/26/23/1341892623.db2.gz ODEAYCLMIZNSNC-HNNXBMFYSA-N 1 2 336.863 3.373 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc3cnccc32)C1 ZINC001033655824 1341931876 /nfs/dbraw/zinc/93/18/76/1341931876.db2.gz KLALENROYIGSKH-HNNXBMFYSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3cnccc32)C1 ZINC001033655824 1341931879 /nfs/dbraw/zinc/93/18/79/1341931879.db2.gz KLALENROYIGSKH-HNNXBMFYSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(OCC3CC3)cc2)C1 ZINC001033667764 1341936662 /nfs/dbraw/zinc/93/66/62/1341936662.db2.gz BOHXEJSBDWTQHX-QGZVFWFLSA-N 1 2 348.874 3.374 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(OCC3CC3)cc2)C1 ZINC001033667764 1341936665 /nfs/dbraw/zinc/93/66/65/1341936665.db2.gz BOHXEJSBDWTQHX-QGZVFWFLSA-N 1 2 348.874 3.374 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2ccc(F)cc2F)C1 ZINC001033679747 1341946592 /nfs/dbraw/zinc/94/65/92/1341946592.db2.gz LMAMGBUZWOKFMT-JSGCOSHPSA-N 1 2 342.817 3.354 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2ccc(F)cc2F)C1 ZINC001033679747 1341946593 /nfs/dbraw/zinc/94/65/93/1341946593.db2.gz LMAMGBUZWOKFMT-JSGCOSHPSA-N 1 2 342.817 3.354 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2c(Cl)cccc2OC)C1 ZINC001033688649 1341951857 /nfs/dbraw/zinc/95/18/57/1341951857.db2.gz SJTVITMVKFJJLK-LBPRGKRZSA-N 1 2 343.254 3.247 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2c(Cl)cccc2OC)C1 ZINC001033688649 1341951864 /nfs/dbraw/zinc/95/18/64/1341951864.db2.gz SJTVITMVKFJJLK-LBPRGKRZSA-N 1 2 343.254 3.247 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2cccc(OC)c2)C1 ZINC001033687848 1341952601 /nfs/dbraw/zinc/95/26/01/1341952601.db2.gz FATWMJHLHIMEFF-HOCLYGCPSA-N 1 2 336.863 3.084 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2cccc(OC)c2)C1 ZINC001033687848 1341952606 /nfs/dbraw/zinc/95/26/06/1341952606.db2.gz FATWMJHLHIMEFF-HOCLYGCPSA-N 1 2 336.863 3.084 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(N(C)C(C)C)cc2)C1 ZINC001033703323 1341968263 /nfs/dbraw/zinc/96/82/63/1341968263.db2.gz XOAKHIAVEOHCPN-GOSISDBHSA-N 1 2 349.906 3.430 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(N(C)C(C)C)cc2)C1 ZINC001033703323 1341968264 /nfs/dbraw/zinc/96/82/64/1341968264.db2.gz XOAKHIAVEOHCPN-GOSISDBHSA-N 1 2 349.906 3.430 20 30 EGEDLO CC#CC[N@H+]1CC[C@H](N(CC)C(=O)c2snc(Cl)c2Cl)C1 ZINC001033841630 1342037288 /nfs/dbraw/zinc/03/72/88/1342037288.db2.gz AXNKFQGQQMVBLD-JTQLQIEISA-N 1 2 346.283 3.010 20 30 EGEDLO CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2snc(Cl)c2Cl)C1 ZINC001033841630 1342037292 /nfs/dbraw/zinc/03/72/92/1342037292.db2.gz AXNKFQGQQMVBLD-JTQLQIEISA-N 1 2 346.283 3.010 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccnn2[C@H](C)CC)C1 ZINC001033848879 1342043306 /nfs/dbraw/zinc/04/33/06/1342043306.db2.gz GJNAFDXHGGIZAZ-HUUCEWRRSA-N 1 2 338.883 3.143 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccnn2[C@H](C)CC)C1 ZINC001033848879 1342043309 /nfs/dbraw/zinc/04/33/09/1342043309.db2.gz GJNAFDXHGGIZAZ-HUUCEWRRSA-N 1 2 338.883 3.143 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccsc2COC)C1 ZINC001033875178 1342053935 /nfs/dbraw/zinc/05/39/35/1342053935.db2.gz POIURTIDDLIFTA-CYBMUJFWSA-N 1 2 342.892 3.183 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccsc2COC)C1 ZINC001033875178 1342053938 /nfs/dbraw/zinc/05/39/38/1342053938.db2.gz POIURTIDDLIFTA-CYBMUJFWSA-N 1 2 342.892 3.183 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC001033890496 1342064106 /nfs/dbraw/zinc/06/41/06/1342064106.db2.gz PSXAZPWVEUYZQG-QGZVFWFLSA-N 1 2 338.455 3.189 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC001033890496 1342064107 /nfs/dbraw/zinc/06/41/07/1342064107.db2.gz PSXAZPWVEUYZQG-QGZVFWFLSA-N 1 2 338.455 3.189 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(F)c(F)cc2F)C1 ZINC001033942430 1342103677 /nfs/dbraw/zinc/10/36/77/1342103677.db2.gz MPQVLYZMIGJGAV-LLVKDONJSA-N 1 2 346.780 3.393 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(F)c(F)cc2F)C1 ZINC001033942430 1342103679 /nfs/dbraw/zinc/10/36/79/1342103679.db2.gz MPQVLYZMIGJGAV-LLVKDONJSA-N 1 2 346.780 3.393 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+]([C@H](C)c3nnc(C)o3)C2)CC1 ZINC001033952144 1342110423 /nfs/dbraw/zinc/11/04/23/1342110423.db2.gz ZIHQQYOBVGLUDG-RHSMWYFYSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@H+]([C@H](C)c3nnc(C)o3)C2)CC1 ZINC001033952144 1342110424 /nfs/dbraw/zinc/11/04/24/1342110424.db2.gz ZIHQQYOBVGLUDG-RHSMWYFYSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001034019223 1342156119 /nfs/dbraw/zinc/15/61/19/1342156119.db2.gz SSNCUBDGNNFONI-OAHLLOKOSA-N 1 2 335.879 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001034019223 1342156120 /nfs/dbraw/zinc/15/61/20/1342156120.db2.gz SSNCUBDGNNFONI-OAHLLOKOSA-N 1 2 335.879 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc3ccccc3[nH]2)C1 ZINC001034037946 1342177849 /nfs/dbraw/zinc/17/78/49/1342177849.db2.gz CGPJDSBLSCIHSC-OAHLLOKOSA-N 1 2 331.847 3.457 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc3ccccc3[nH]2)C1 ZINC001034037946 1342177851 /nfs/dbraw/zinc/17/78/51/1342177851.db2.gz CGPJDSBLSCIHSC-OAHLLOKOSA-N 1 2 331.847 3.457 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001034267234 1342357975 /nfs/dbraw/zinc/35/79/75/1342357975.db2.gz UCGCHKLWIUVZDF-DZGCQCFKSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001034267234 1342357977 /nfs/dbraw/zinc/35/79/77/1342357977.db2.gz UCGCHKLWIUVZDF-DZGCQCFKSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2nc(Cl)sc2C)C1 ZINC001034304988 1342387202 /nfs/dbraw/zinc/38/72/02/1342387202.db2.gz BIYGXNIWQCTODP-NSHDSACASA-N 1 2 348.299 3.442 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2nc(Cl)sc2C)C1 ZINC001034304988 1342387203 /nfs/dbraw/zinc/38/72/03/1342387203.db2.gz BIYGXNIWQCTODP-NSHDSACASA-N 1 2 348.299 3.442 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@@H+](Cc3nocc3C)C2)CC1 ZINC001034380107 1342449128 /nfs/dbraw/zinc/44/91/28/1342449128.db2.gz HWBLVKWLXUPHDD-KRWDZBQOSA-N 1 2 331.460 3.200 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@H+](Cc3nocc3C)C2)CC1 ZINC001034380107 1342449129 /nfs/dbraw/zinc/44/91/29/1342449129.db2.gz HWBLVKWLXUPHDD-KRWDZBQOSA-N 1 2 331.460 3.200 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc3c(c2)COC3)C1 ZINC001034436850 1342499497 /nfs/dbraw/zinc/49/94/97/1342499497.db2.gz UUHOQYHIOCYZPN-KRWDZBQOSA-N 1 2 334.847 3.054 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccc3c(c2)COC3)C1 ZINC001034436850 1342499504 /nfs/dbraw/zinc/49/95/04/1342499504.db2.gz UUHOQYHIOCYZPN-KRWDZBQOSA-N 1 2 334.847 3.054 20 30 EGEDLO C=C1CCC(C(=O)NCc2ccc(C[NH2+]Cc3ccon3)cc2)CC1 ZINC001034824134 1342785938 /nfs/dbraw/zinc/78/59/38/1342785938.db2.gz NCZRCCDNZUYGDF-UHFFFAOYSA-N 1 2 339.439 3.327 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2oc3ccccc3c2Cl)C1 ZINC001035576870 1343093037 /nfs/dbraw/zinc/09/30/37/1343093037.db2.gz IZZOPZWDTPBYHY-CYBMUJFWSA-N 1 2 348.830 3.093 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2oc3ccccc3c2Cl)C1 ZINC001035576870 1343093038 /nfs/dbraw/zinc/09/30/38/1343093038.db2.gz IZZOPZWDTPBYHY-CYBMUJFWSA-N 1 2 348.830 3.093 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H](F)C1)CC2 ZINC001035705798 1343143766 /nfs/dbraw/zinc/14/37/66/1343143766.db2.gz BUEZEXHASWTVGG-CABCVRRESA-N 1 2 328.859 3.192 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3C[C@@H]3CC1)CC2 ZINC001035754856 1343171804 /nfs/dbraw/zinc/17/18/04/1343171804.db2.gz FILQNXGRNMFBIZ-OSYLJGHBSA-N 1 2 336.907 3.490 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cc(F)ccc1C)CC2 ZINC001035763524 1343176521 /nfs/dbraw/zinc/17/65/21/1343176521.db2.gz GDWWMDRIXBKWMP-UHFFFAOYSA-N 1 2 336.838 3.425 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC2(C[NH+](Cc3cc(C)on3)C2)CC1 ZINC001035781884 1343192853 /nfs/dbraw/zinc/19/28/53/1343192853.db2.gz BSBRLLFJJHTDEH-SFHVURJKSA-N 1 2 331.460 3.010 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)c1ccccc1)CC2 ZINC001035838693 1343221186 /nfs/dbraw/zinc/22/11/86/1343221186.db2.gz ZMFLKFRBEJUXRA-INIZCTEOSA-N 1 2 332.875 3.467 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)CCc1ccccc1)CC2 ZINC001035841095 1343223161 /nfs/dbraw/zinc/22/31/61/1343223161.db2.gz YBSZIYHBKYUVHH-UHFFFAOYSA-N 1 2 332.875 3.296 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)C2CCCCCC2)cc1F ZINC001038104782 1344281347 /nfs/dbraw/zinc/28/13/47/1344281347.db2.gz OFSJRVFZDXNUOD-GOSISDBHSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)C2CCCCCC2)cc1F ZINC001038104782 1344281352 /nfs/dbraw/zinc/28/13/52/1344281352.db2.gz OFSJRVFZDXNUOD-GOSISDBHSA-N 1 2 343.446 3.358 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038170234 1344310896 /nfs/dbraw/zinc/31/08/96/1344310896.db2.gz ZUCYNXHTDSGGFW-PXAZEXFGSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038170234 1344310900 /nfs/dbraw/zinc/31/09/00/1344310900.db2.gz ZUCYNXHTDSGGFW-PXAZEXFGSA-N 1 2 342.830 3.105 20 30 EGEDLO CC(C)c1cccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)n1 ZINC001038473439 1344440022 /nfs/dbraw/zinc/44/00/22/1344440022.db2.gz NGRPUAQAACCJNP-SFHVURJKSA-N 1 2 348.450 3.081 20 30 EGEDLO CC(C)c1cccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)n1 ZINC001038473439 1344440026 /nfs/dbraw/zinc/44/00/26/1344440026.db2.gz NGRPUAQAACCJNP-SFHVURJKSA-N 1 2 348.450 3.081 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)s1 ZINC001038541807 1344475759 /nfs/dbraw/zinc/47/57/59/1344475759.db2.gz XAWAWBKJHNJKEM-FZKCQIBNSA-N 1 2 343.496 3.137 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)s1 ZINC001038541807 1344475761 /nfs/dbraw/zinc/47/57/61/1344475761.db2.gz XAWAWBKJHNJKEM-FZKCQIBNSA-N 1 2 343.496 3.137 20 30 EGEDLO CC1(C)CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)c(F)c2)C1 ZINC001038674996 1344537590 /nfs/dbraw/zinc/53/75/90/1344537590.db2.gz VCPOIVMWAAENSO-NVXWUHKLSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)c(F)c2)C1 ZINC001038674996 1344537592 /nfs/dbraw/zinc/53/75/92/1344537592.db2.gz VCPOIVMWAAENSO-NVXWUHKLSA-N 1 2 343.446 3.214 20 30 EGEDLO CCc1oc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)cc1C ZINC001038913844 1344649213 /nfs/dbraw/zinc/64/92/13/1344649213.db2.gz XRFXHKOTWJKALV-KRWDZBQOSA-N 1 2 337.423 3.026 20 30 EGEDLO CCc1oc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)cc1C ZINC001038913844 1344649219 /nfs/dbraw/zinc/64/92/19/1344649219.db2.gz XRFXHKOTWJKALV-KRWDZBQOSA-N 1 2 337.423 3.026 20 30 EGEDLO CCc1cc(C)c(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)o1 ZINC001038919569 1344652892 /nfs/dbraw/zinc/65/28/92/1344652892.db2.gz FKPLBJXXDREQHU-KRWDZBQOSA-N 1 2 337.423 3.026 20 30 EGEDLO CCc1cc(C)c(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)o1 ZINC001038919569 1344652895 /nfs/dbraw/zinc/65/28/95/1344652895.db2.gz FKPLBJXXDREQHU-KRWDZBQOSA-N 1 2 337.423 3.026 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2occ3c2CCCC3)c1 ZINC001038959791 1344683418 /nfs/dbraw/zinc/68/34/18/1344683418.db2.gz YNRVBBAFXCCQNN-GOSISDBHSA-N 1 2 349.434 3.034 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2occ3c2CCCC3)c1 ZINC001038959791 1344683419 /nfs/dbraw/zinc/68/34/19/1344683419.db2.gz YNRVBBAFXCCQNN-GOSISDBHSA-N 1 2 349.434 3.034 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC1 ZINC001039317391 1345011067 /nfs/dbraw/zinc/01/10/67/1345011067.db2.gz AUPAQILENCANLY-MOPGFXCFSA-N 1 2 341.430 3.063 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC1 ZINC001039317391 1345011071 /nfs/dbraw/zinc/01/10/71/1345011071.db2.gz AUPAQILENCANLY-MOPGFXCFSA-N 1 2 341.430 3.063 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C=C1CCC1 ZINC001039362340 1345029187 /nfs/dbraw/zinc/02/91/87/1345029187.db2.gz POBNCJIKPJBRJH-CABCVRRESA-N 1 2 339.277 3.071 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C=C1CCC1 ZINC001039362340 1345029190 /nfs/dbraw/zinc/02/91/90/1345029190.db2.gz POBNCJIKPJBRJH-CABCVRRESA-N 1 2 339.277 3.071 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2ncccc2o1 ZINC001039406737 1345051329 /nfs/dbraw/zinc/05/13/29/1345051329.db2.gz HFJQXQXHNFJLJC-KGLIPLIRSA-N 1 2 345.830 3.259 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2ncccc2o1 ZINC001039406737 1345051332 /nfs/dbraw/zinc/05/13/32/1345051332.db2.gz HFJQXQXHNFJLJC-KGLIPLIRSA-N 1 2 345.830 3.259 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c([nH]1)CCCC2 ZINC001039459029 1345078408 /nfs/dbraw/zinc/07/84/08/1345078408.db2.gz AHGVOZTVNZKZQX-CVEARBPZSA-N 1 2 347.890 3.325 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c([nH]1)CCCC2 ZINC001039459029 1345078410 /nfs/dbraw/zinc/07/84/10/1345078410.db2.gz AHGVOZTVNZKZQX-CVEARBPZSA-N 1 2 347.890 3.325 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)N(c3nc(C)[nH+]c(C)c3C)C2)C1 ZINC001039802521 1345192185 /nfs/dbraw/zinc/19/21/85/1345192185.db2.gz SVJRYLINEPXNIA-GUYCJALGSA-N 1 2 342.487 3.232 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2cscn2)C3)C1 ZINC001040383177 1345467983 /nfs/dbraw/zinc/46/79/83/1345467983.db2.gz GQRTXHTXAPFZTN-IBGZPJMESA-N 1 2 345.512 3.314 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2cscn2)C3)C1 ZINC001040383177 1345467985 /nfs/dbraw/zinc/46/79/85/1345467985.db2.gz GQRTXHTXAPFZTN-IBGZPJMESA-N 1 2 345.512 3.314 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(CC[N@@H+]([C@H](C)c3csnn3)C2)C1 ZINC001041536552 1345755794 /nfs/dbraw/zinc/75/57/94/1345755794.db2.gz PGGBJFNKNIBTFM-RDTXWAMCSA-N 1 2 348.516 3.126 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(CC[N@H+]([C@H](C)c3csnn3)C2)C1 ZINC001041536552 1345755795 /nfs/dbraw/zinc/75/57/95/1345755795.db2.gz PGGBJFNKNIBTFM-RDTXWAMCSA-N 1 2 348.516 3.126 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(OC)cs3)C[C@H]21 ZINC001042180975 1345969373 /nfs/dbraw/zinc/96/93/73/1345969373.db2.gz BGJOGAGYPQMNAG-TZMCWYRMSA-N 1 2 340.876 3.046 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(OC)cs3)C[C@H]21 ZINC001042180975 1345969374 /nfs/dbraw/zinc/96/93/74/1345969374.db2.gz BGJOGAGYPQMNAG-TZMCWYRMSA-N 1 2 340.876 3.046 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3oc(C4CC4)nc3C)C[C@H]21 ZINC001042265746 1346011571 /nfs/dbraw/zinc/01/15/71/1346011571.db2.gz IYCCUBXBIUZKFG-DZGCQCFKSA-N 1 2 349.862 3.149 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3oc(C4CC4)nc3C)C[C@H]21 ZINC001042265746 1346011573 /nfs/dbraw/zinc/01/15/73/1346011573.db2.gz IYCCUBXBIUZKFG-DZGCQCFKSA-N 1 2 349.862 3.149 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3nc(C)c(C)s3)C[C@H]21 ZINC001042360633 1346055138 /nfs/dbraw/zinc/05/51/38/1346055138.db2.gz WBHUEOCGNBRHHT-UONOGXRCSA-N 1 2 339.892 3.049 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3nc(C)c(C)s3)C[C@H]21 ZINC001042360633 1346055142 /nfs/dbraw/zinc/05/51/42/1346055142.db2.gz WBHUEOCGNBRHHT-UONOGXRCSA-N 1 2 339.892 3.049 20 30 EGEDLO C=CCn1cccc1C(=O)N(C)C1C[NH+](Cc2csc(C)c2)C1 ZINC001042930311 1346125567 /nfs/dbraw/zinc/12/55/67/1346125567.db2.gz FXIBQRJRXPOHNK-UHFFFAOYSA-N 1 2 329.469 3.000 20 30 EGEDLO C=C1CCC(C(=O)N(C)C2C[NH+](CC[C@@H]3CC3(Cl)Cl)C2)CC1 ZINC001043759231 1346204944 /nfs/dbraw/zinc/20/49/44/1346204944.db2.gz GKZRGHXMWBRPQI-CQSZACIVSA-N 1 2 345.314 3.459 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001079534205 1357292810 /nfs/dbraw/zinc/29/28/10/1357292810.db2.gz PHIDRZYHUWZKHG-ZYHUDNBSSA-N 1 2 343.309 3.014 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001079534205 1357292813 /nfs/dbraw/zinc/29/28/13/1357292813.db2.gz PHIDRZYHUWZKHG-ZYHUDNBSSA-N 1 2 343.309 3.014 20 30 EGEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)C=C1CCC1 ZINC001079556239 1357302765 /nfs/dbraw/zinc/30/27/65/1357302765.db2.gz ZKRMRGJDFKYYNH-DNVCBOLYSA-N 1 2 342.870 3.238 20 30 EGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)C=C1CCC1 ZINC001079556239 1357302769 /nfs/dbraw/zinc/30/27/69/1357302769.db2.gz ZKRMRGJDFKYYNH-DNVCBOLYSA-N 1 2 342.870 3.238 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@H]2CC=CCC2)CC1 ZINC001045364352 1346575361 /nfs/dbraw/zinc/57/53/61/1346575361.db2.gz FOKJZHNLFWMQIN-AWEZNQCLSA-N 1 2 341.293 3.222 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncc(C2CC2)o1 ZINC001045826687 1346709766 /nfs/dbraw/zinc/70/97/66/1346709766.db2.gz CZJCEVFOLTVBKK-CVEARBPZSA-N 1 2 343.471 3.330 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncc(C2CC2)o1 ZINC001045826687 1346709768 /nfs/dbraw/zinc/70/97/68/1346709768.db2.gz CZJCEVFOLTVBKK-CVEARBPZSA-N 1 2 343.471 3.330 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nccs1 ZINC001045840036 1346715856 /nfs/dbraw/zinc/71/58/56/1346715856.db2.gz BYTNKSSGHPXPDH-RVKKMQEKSA-N 1 2 333.501 3.311 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1nccs1 ZINC001045840036 1346715861 /nfs/dbraw/zinc/71/58/61/1346715861.db2.gz BYTNKSSGHPXPDH-RVKKMQEKSA-N 1 2 333.501 3.311 20 30 EGEDLO 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/nfs/dbraw/zinc/99/33/49/1346993349.db2.gz VJJHQIBSCOUVQZ-WMZOPIPTSA-N 1 2 336.838 3.189 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001046567087 1347020673 /nfs/dbraw/zinc/02/06/73/1347020673.db2.gz KAQDUJISCRCRCJ-XIKOKIGWSA-N 1 2 334.847 3.129 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001046567087 1347020676 /nfs/dbraw/zinc/02/06/76/1347020676.db2.gz KAQDUJISCRCRCJ-XIKOKIGWSA-N 1 2 334.847 3.129 20 30 EGEDLO C=C1CCC(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H](C)c3ncc(C)o3)C2)CC1 ZINC001046594060 1347030424 /nfs/dbraw/zinc/03/04/24/1347030424.db2.gz DBYLEWSLSCFUBT-KXBFYZLASA-N 1 2 331.460 3.371 20 30 EGEDLO C=C1CCC(C(=O)N[C@@]2(C)CC[N@H+]([C@@H](C)c3ncc(C)o3)C2)CC1 ZINC001046594060 1347030426 /nfs/dbraw/zinc/03/04/26/1347030426.db2.gz DBYLEWSLSCFUBT-KXBFYZLASA-N 1 2 331.460 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(Cl)c(OC)c2)C1 ZINC001046673138 1347058636 /nfs/dbraw/zinc/05/86/36/1347058636.db2.gz GGZFIBJZQBTDFC-MRXNPFEDSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(Cl)c(OC)c2)C1 ZINC001046673138 1347058638 /nfs/dbraw/zinc/05/86/38/1347058638.db2.gz GGZFIBJZQBTDFC-MRXNPFEDSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccn(C(CC)CC)n2)C1 ZINC001046674035 1347058972 /nfs/dbraw/zinc/05/89/72/1347058972.db2.gz SFMOIUPXJAVMBJ-QGZVFWFLSA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccn(C(CC)CC)n2)C1 ZINC001046674035 1347058973 /nfs/dbraw/zinc/05/89/73/1347058973.db2.gz SFMOIUPXJAVMBJ-QGZVFWFLSA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(C)n(CC3CC3)c2C)C1 ZINC001046774569 1347094557 /nfs/dbraw/zinc/09/45/57/1347094557.db2.gz VAIPTFFPEOHNSB-LJQANCHMSA-N 1 2 349.906 3.462 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C)n(CC3CC3)c2C)C1 ZINC001046774569 1347094560 /nfs/dbraw/zinc/09/45/60/1347094560.db2.gz VAIPTFFPEOHNSB-LJQANCHMSA-N 1 2 349.906 3.462 20 30 EGEDLO 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C=C(C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccn(CC)n1 ZINC001099098387 1363621167 /nfs/dbraw/zinc/62/11/67/1363621167.db2.gz OPTHIHPCYRMEIJ-GOSISDBHSA-N 1 2 346.519 3.366 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2csc(CC(C)C)n2)C1 ZINC001081035586 1357789595 /nfs/dbraw/zinc/78/95/95/1357789595.db2.gz KQFBNXPJADBVAN-DGCLKSJQSA-N 1 2 341.908 3.144 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2csc(CC(C)C)n2)C1 ZINC001081035586 1357789596 /nfs/dbraw/zinc/78/95/96/1357789596.db2.gz KQFBNXPJADBVAN-DGCLKSJQSA-N 1 2 341.908 3.144 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4occc4c3)[C@@H]2C1 ZINC001084363714 1358199191 /nfs/dbraw/zinc/19/91/91/1358199191.db2.gz QLUZIJAIBRIBIK-HZPDHXFCSA-N 1 2 330.815 3.332 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4occc4c3)[C@@H]2C1 ZINC001084363714 1358199194 /nfs/dbraw/zinc/19/91/94/1358199194.db2.gz QLUZIJAIBRIBIK-HZPDHXFCSA-N 1 2 330.815 3.332 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(F)ccc3CC)[C@@H]2C1 ZINC001084484826 1358223359 /nfs/dbraw/zinc/22/33/59/1358223359.db2.gz JMKDKANBSPNRAO-RHSMWYFYSA-N 1 2 336.838 3.287 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(F)ccc3CC)[C@@H]2C1 ZINC001084484826 1358223363 /nfs/dbraw/zinc/22/33/63/1358223363.db2.gz JMKDKANBSPNRAO-RHSMWYFYSA-N 1 2 336.838 3.287 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cccc(C4CC4)c3)[C@@H]2C1 ZINC001084542212 1358234592 /nfs/dbraw/zinc/23/45/92/1358234592.db2.gz QNSWXWMBJCFABP-RTBURBONSA-N 1 2 344.886 3.392 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cccc(C4CC4)c3)[C@@H]2C1 ZINC001084542212 1358234597 /nfs/dbraw/zinc/23/45/97/1358234597.db2.gz QNSWXWMBJCFABP-RTBURBONSA-N 1 2 344.886 3.392 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cc4ccccc4o3)[C@@H]2C1 ZINC001084562963 1358238968 /nfs/dbraw/zinc/23/89/68/1358238968.db2.gz LNLWNEUKQQFDEN-NVXWUHKLSA-N 1 2 344.842 3.261 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cc4ccccc4o3)[C@@H]2C1 ZINC001084562963 1358238971 /nfs/dbraw/zinc/23/89/71/1358238971.db2.gz LNLWNEUKQQFDEN-NVXWUHKLSA-N 1 2 344.842 3.261 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](Cc3ncc(C)s3)C[C@H]21 ZINC001084635402 1358262804 /nfs/dbraw/zinc/26/28/04/1358262804.db2.gz YQOBSAQIBUKYEC-RKVPGOIHSA-N 1 2 333.501 3.087 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](Cc3ncc(C)s3)C[C@H]21 ZINC001084635402 1358262809 /nfs/dbraw/zinc/26/28/09/1358262809.db2.gz YQOBSAQIBUKYEC-RKVPGOIHSA-N 1 2 333.501 3.087 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4cc[nH]c4c3)[C@@H]2C1 ZINC001084686730 1358279893 /nfs/dbraw/zinc/27/98/93/1358279893.db2.gz SFWVWFAKHUQFPE-NVXWUHKLSA-N 1 2 329.831 3.067 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4cc[nH]c4c3)[C@@H]2C1 ZINC001084686730 1358279895 /nfs/dbraw/zinc/27/98/95/1358279895.db2.gz SFWVWFAKHUQFPE-NVXWUHKLSA-N 1 2 329.831 3.067 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C)c(OCC)c3)[C@@H]2C1 ZINC001084699458 1358286333 /nfs/dbraw/zinc/28/63/33/1358286333.db2.gz OCCBPYXOUXTCAE-IAGOWNOFSA-N 1 2 348.874 3.293 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C)c(OCC)c3)[C@@H]2C1 ZINC001084699458 1358286337 /nfs/dbraw/zinc/28/63/37/1358286337.db2.gz OCCBPYXOUXTCAE-IAGOWNOFSA-N 1 2 348.874 3.293 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1)C(=O)c1sccc1F ZINC001085583695 1358613978 /nfs/dbraw/zinc/61/39/78/1358613978.db2.gz OUJVFWKXXZGHEV-OAHLLOKOSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1)C(=O)c1sccc1F ZINC001085583695 1358613981 /nfs/dbraw/zinc/61/39/81/1358613981.db2.gz OUJVFWKXXZGHEV-OAHLLOKOSA-N 1 2 343.427 3.105 20 30 EGEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2ccc(F)cc2s1 ZINC001085706410 1358697567 /nfs/dbraw/zinc/69/75/67/1358697567.db2.gz OJJVQMKYLJVOTN-HNNXBMFYSA-N 1 2 330.428 3.210 20 30 EGEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2ccc(F)cc2s1 ZINC001085706410 1358697572 /nfs/dbraw/zinc/69/75/72/1358697572.db2.gz OJJVQMKYLJVOTN-HNNXBMFYSA-N 1 2 330.428 3.210 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)CC(C2CC2)C2CC2)s1 ZINC001323371923 1387355092 /nfs/dbraw/zinc/35/50/92/1387355092.db2.gz PJWLSWWZHRQSGJ-OAHLLOKOSA-N 1 2 343.496 3.137 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)CC(C2CC2)C2CC2)s1 ZINC001323371923 1387355096 /nfs/dbraw/zinc/35/50/96/1387355096.db2.gz PJWLSWWZHRQSGJ-OAHLLOKOSA-N 1 2 343.496 3.137 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1)C(=O)[C@H]1CC12CC2 ZINC001085842117 1358811070 /nfs/dbraw/zinc/81/10/70/1358811070.db2.gz NJGRGNAFMLXLJU-ZWKOTPCHSA-N 1 2 342.870 3.024 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1)C(=O)[C@H]1CC12CC2 ZINC001085842117 1358811076 /nfs/dbraw/zinc/81/10/76/1358811076.db2.gz NJGRGNAFMLXLJU-ZWKOTPCHSA-N 1 2 342.870 3.024 20 30 EGEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1oc2ccccc2c1Cl ZINC001085922783 1358880726 /nfs/dbraw/zinc/88/07/26/1358880726.db2.gz KEOFWPRIZDBYRF-CYBMUJFWSA-N 1 2 330.815 3.256 20 30 EGEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1oc2ccccc2c1Cl ZINC001085922783 1358880729 /nfs/dbraw/zinc/88/07/29/1358880729.db2.gz KEOFWPRIZDBYRF-CYBMUJFWSA-N 1 2 330.815 3.256 20 30 EGEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(CC)c(CCC)s1 ZINC001085965226 1358922952 /nfs/dbraw/zinc/92/29/52/1358922952.db2.gz CVHQYFYSKJVJQG-INIZCTEOSA-N 1 2 332.513 3.433 20 30 EGEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(CC)c(CCC)s1 ZINC001085965226 1358922955 /nfs/dbraw/zinc/92/29/55/1358922955.db2.gz CVHQYFYSKJVJQG-INIZCTEOSA-N 1 2 332.513 3.433 20 30 EGEDLO Cc1[nH]c2ccc(C#N)cc2c1CC(=O)NCc1c[nH+]cn1C1CCC1 ZINC001183891691 1387368451 /nfs/dbraw/zinc/36/84/51/1387368451.db2.gz FQMGQKUDHRVODO-UHFFFAOYSA-N 1 2 347.422 3.128 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c[nH]cc2C)C1 ZINC001086623652 1359167914 /nfs/dbraw/zinc/16/79/14/1359167914.db2.gz OZWYICAIWYZIMV-ZWKOTPCHSA-N 1 2 343.858 3.273 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c[nH]cc2C)C1 ZINC001086623652 1359167918 /nfs/dbraw/zinc/16/79/18/1359167918.db2.gz OZWYICAIWYZIMV-ZWKOTPCHSA-N 1 2 343.858 3.273 20 30 EGEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1cccc(N2CCOC2=O)c1 ZINC001323546502 1387384790 /nfs/dbraw/zinc/38/47/90/1387384790.db2.gz VFVUZDAQWVJVDU-HJWRWDBZSA-N 1 2 337.379 3.000 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C2CC2)C1 ZINC001087451652 1359471961 /nfs/dbraw/zinc/47/19/61/1359471961.db2.gz CRORACYNYDGPQH-IAGOWNOFSA-N 1 2 336.838 3.262 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C2CC2)C1 ZINC001087451652 1359471966 /nfs/dbraw/zinc/47/19/66/1359471966.db2.gz CRORACYNYDGPQH-IAGOWNOFSA-N 1 2 336.838 3.262 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC23CCC3)[C@H]1CC ZINC001087742800 1359622048 /nfs/dbraw/zinc/62/20/48/1359622048.db2.gz DPDFEDAIGKHNPQ-MELADBBJSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC23CCC3)[C@H]1CC ZINC001087742800 1359622050 /nfs/dbraw/zinc/62/20/50/1359622050.db2.gz DPDFEDAIGKHNPQ-MELADBBJSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2csc(C3CC3)n2)[C@H]1CC ZINC001087846294 1359679154 /nfs/dbraw/zinc/67/91/54/1359679154.db2.gz UOODYHRCZSVNJI-GXTWGEPZSA-N 1 2 339.892 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2csc(C3CC3)n2)[C@H]1CC ZINC001087846294 1359679158 /nfs/dbraw/zinc/67/91/58/1359679158.db2.gz UOODYHRCZSVNJI-GXTWGEPZSA-N 1 2 339.892 3.356 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCCCC[C@@H]([NH2+]Cc2noc(CC)n2)C1 ZINC001088374628 1359855924 /nfs/dbraw/zinc/85/59/24/1359855924.db2.gz MQYOQPIJBOCNSN-DNVCBOLYSA-N 1 2 348.491 3.095 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C2(F)CCCC2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088682172 1360011312 /nfs/dbraw/zinc/01/13/12/1360011312.db2.gz NQKWOKHUNWCJFU-DYVFJYSZSA-N 1 2 347.409 3.059 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C2(F)CCCC2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088682172 1360011315 /nfs/dbraw/zinc/01/13/15/1360011315.db2.gz NQKWOKHUNWCJFU-DYVFJYSZSA-N 1 2 347.409 3.059 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc3cccnc32)[C@H]1C ZINC001088711753 1360017509 /nfs/dbraw/zinc/01/75/09/1360017509.db2.gz YEZOIUWQHUVTHJ-CJNGLKHVSA-N 1 2 329.831 3.180 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc3cccnc32)[C@H]1C ZINC001088711753 1360017513 /nfs/dbraw/zinc/01/75/13/1360017513.db2.gz YEZOIUWQHUVTHJ-CJNGLKHVSA-N 1 2 329.831 3.180 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2([C@H]3CCCCO3)CCC2)[C@H]1C ZINC001088740607 1360026667 /nfs/dbraw/zinc/02/66/67/1360026667.db2.gz GJIMRBGQGMNYTG-OWCLPIDISA-N 1 2 340.895 3.057 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2([C@H]3CCCCO3)CCC2)[C@H]1C ZINC001088740607 1360026671 /nfs/dbraw/zinc/02/66/71/1360026671.db2.gz GJIMRBGQGMNYTG-OWCLPIDISA-N 1 2 340.895 3.057 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3ncoc3C(C)C)[C@@H]2C)C1 ZINC001088844172 1360078247 /nfs/dbraw/zinc/07/82/47/1360078247.db2.gz FTGADDPOBHVOMT-CABCVRRESA-N 1 2 331.460 3.233 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3ncoc3C(C)C)[C@@H]2C)C1 ZINC001088844172 1360078250 /nfs/dbraw/zinc/07/82/50/1360078250.db2.gz FTGADDPOBHVOMT-CABCVRRESA-N 1 2 331.460 3.233 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2coc(-c3ccccc3)n2)[C@H]1C ZINC001088986285 1360124388 /nfs/dbraw/zinc/12/43/88/1360124388.db2.gz SHKZTZVMYOPSKL-HIFRSBDPSA-N 1 2 345.830 3.287 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2coc(-c3ccccc3)n2)[C@H]1C ZINC001088986285 1360124391 /nfs/dbraw/zinc/12/43/91/1360124391.db2.gz SHKZTZVMYOPSKL-HIFRSBDPSA-N 1 2 345.830 3.287 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)N(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001089128807 1360190912 /nfs/dbraw/zinc/19/09/12/1360190912.db2.gz HEEIDOHKEVZACL-ZBFHGGJFSA-N 1 2 328.460 3.102 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H](C)[C@H](CNc3cc[nH+]c(C)n3)C2)CCC1 ZINC001089188675 1360238412 /nfs/dbraw/zinc/23/84/12/1360238412.db2.gz XXNRTBYFGQRGIF-NVXWUHKLSA-N 1 2 342.487 3.428 20 30 EGEDLO C[NH+]1CCN(c2ccc(/C=C/C(=O)c3ccccc3O)cc2F)CC1 ZINC001323771628 1387446821 /nfs/dbraw/zinc/44/68/21/1387446821.db2.gz NGVYXILBYHIBOT-VQHVLOKHSA-N 1 2 340.398 3.179 20 30 EGEDLO CCN(c1cc(C)[nH+]c(C2CC2)n1)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001089644749 1360557649 /nfs/dbraw/zinc/55/76/49/1360557649.db2.gz CKOLDJBMHUGPPF-OAHLLOKOSA-N 1 2 342.487 3.043 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(F)c[nH]1 ZINC001089671397 1360581463 /nfs/dbraw/zinc/58/14/63/1360581463.db2.gz QRMSLOJZEDKMGS-CYBMUJFWSA-N 1 2 327.831 3.127 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(F)c[nH]1 ZINC001089671397 1360581464 /nfs/dbraw/zinc/58/14/64/1360581464.db2.gz QRMSLOJZEDKMGS-CYBMUJFWSA-N 1 2 327.831 3.127 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cnoc1CC ZINC001089706031 1360608777 /nfs/dbraw/zinc/60/87/77/1360608777.db2.gz MKDHTXHZXFFNTI-ZDUSSCGKSA-N 1 2 339.867 3.210 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cnoc1CC ZINC001089706031 1360608781 /nfs/dbraw/zinc/60/87/81/1360608781.db2.gz MKDHTXHZXFFNTI-ZDUSSCGKSA-N 1 2 339.867 3.210 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)CCCCNc1cc[nH+]c(C)n1 ZINC001090123710 1360836566 /nfs/dbraw/zinc/83/65/66/1360836566.db2.gz PEUYRYACBWWATR-KXBFYZLASA-N 1 2 348.491 3.101 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C)[C@](C)(CNc2cc[nH+]c(C)n2)C1 ZINC001090258483 1360876265 /nfs/dbraw/zinc/87/62/65/1360876265.db2.gz RPDUJCPGYGKQJQ-SPYBWZPUSA-N 1 2 330.476 3.284 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H](CNc3cc[nH+]c(C)n3)[C@H](C)C2)CC1 ZINC001090282604 1360886749 /nfs/dbraw/zinc/88/67/49/1360886749.db2.gz WNHAANIPLHHUTN-WBVHZDCISA-N 1 2 342.487 3.428 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C12CCC2 ZINC001090619263 1360915000 /nfs/dbraw/zinc/91/50/00/1360915000.db2.gz WYKKTNLOXQHUHU-CABCVRRESA-N 1 2 328.460 3.227 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001091495948 1361122940 /nfs/dbraw/zinc/12/29/40/1361122940.db2.gz OENVWDFWRPBXRT-CTYIDZIISA-N 1 2 328.460 3.181 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001091502382 1361127562 /nfs/dbraw/zinc/12/75/62/1361127562.db2.gz LKEAPERVSXUNNT-DUFGSWQCSA-N 1 2 342.487 3.427 20 30 EGEDLO Cc1cc(NCCCCCCN(C)C(=O)[C@@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001091733242 1361198481 /nfs/dbraw/zinc/19/84/81/1361198481.db2.gz FJNSUPVICAZEHH-HNNXBMFYSA-N 1 2 345.491 3.499 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCCC[C@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001092076182 1361290734 /nfs/dbraw/zinc/29/07/34/1361290734.db2.gz CORANNZWZPCCKQ-IRXDYDNUSA-N 1 2 330.476 3.205 20 30 EGEDLO Cc1cc(NC2CC(CNC(=O)C#CC(C)(C)C)C2)nc(C2CC2)[nH+]1 ZINC001092215588 1361325944 /nfs/dbraw/zinc/32/59/44/1361325944.db2.gz DEFRGSBSEARNGP-UHFFFAOYSA-N 1 2 340.471 3.019 20 30 EGEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(C(C)C)n1 ZINC001092803555 1361459409 /nfs/dbraw/zinc/45/94/09/1361459409.db2.gz HGNAJBRLSQBFPO-PMPSAXMXSA-N 1 2 328.460 3.101 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C(C)(C)C3CCCC3)CC2)C1 ZINC001093542804 1361638144 /nfs/dbraw/zinc/63/81/44/1361638144.db2.gz DVEDJRGMFAJPPZ-UHFFFAOYSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@]3(C)CCC[C@H]3C)CC2)C1 ZINC001093569694 1361645511 /nfs/dbraw/zinc/64/55/11/1361645511.db2.gz HPENTHGXMDZQCI-OXQOHEQNSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@]3(C)CC=C(C)CC3)CC2)C1 ZINC001093598298 1361653210 /nfs/dbraw/zinc/65/32/10/1361653210.db2.gz GZDXDZDPPWPXII-NRFANRHFSA-N 1 2 346.515 3.391 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[C@@H]3CCCC[C@H]3C)CC2)C1 ZINC001093600124 1361654348 /nfs/dbraw/zinc/65/43/48/1361654348.db2.gz OQWYDWSZUGPFBO-MSOLQXFVSA-N 1 2 348.531 3.471 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@H]3CCCC[C@H]3C)CC2)C1 ZINC001093600021 1361654490 /nfs/dbraw/zinc/65/44/90/1361654490.db2.gz LMGKRDLCQJSYGT-IAGOWNOFSA-N 1 2 334.504 3.081 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)o1 ZINC001095144497 1362030637 /nfs/dbraw/zinc/03/06/37/1362030637.db2.gz WQLSUDBXYDIAJQ-KCXAZCMYSA-N 1 2 341.436 3.057 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)o1 ZINC001095144497 1362030640 /nfs/dbraw/zinc/03/06/40/1362030640.db2.gz WQLSUDBXYDIAJQ-KCXAZCMYSA-N 1 2 341.436 3.057 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001095150683 1362033081 /nfs/dbraw/zinc/03/30/81/1362033081.db2.gz QFGBQQTZRNETRC-IRXDYDNUSA-N 1 2 330.476 3.041 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccsc1)C2 ZINC001095614911 1362186343 /nfs/dbraw/zinc/18/63/43/1362186343.db2.gz QZRVTRPHHUXUOW-LEOABGAYSA-N 1 2 336.888 3.326 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccsc1)C2 ZINC001095614911 1362186347 /nfs/dbraw/zinc/18/63/47/1362186347.db2.gz QZRVTRPHHUXUOW-LEOABGAYSA-N 1 2 336.888 3.326 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cccc(CC)c1)C2 ZINC001095637276 1362192986 /nfs/dbraw/zinc/19/29/86/1362192986.db2.gz KGJBGCRCLZDCPL-SQNIBIBYSA-N 1 2 332.875 3.266 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cccc(CC)c1)C2 ZINC001095637276 1362192987 /nfs/dbraw/zinc/19/29/87/1362192987.db2.gz KGJBGCRCLZDCPL-SQNIBIBYSA-N 1 2 332.875 3.266 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001095711135 1362208811 /nfs/dbraw/zinc/20/88/11/1362208811.db2.gz PDTSKEPYXDNIHK-HNNXBMFYSA-N 1 2 344.503 3.209 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001095711355 1362209010 /nfs/dbraw/zinc/20/90/10/1362209010.db2.gz YAVSOPNUGIIUIF-MRXNPFEDSA-N 1 2 332.492 3.453 20 30 EGEDLO CCN(CCCNC(=O)[C@@H](C)C#N)c1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001095848616 1362254037 /nfs/dbraw/zinc/25/40/37/1362254037.db2.gz XKOFUWTZWIJALH-HNNXBMFYSA-N 1 2 345.491 3.216 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncc3sccc31)C2 ZINC001095911969 1362285090 /nfs/dbraw/zinc/28/50/90/1362285090.db2.gz BZVPPNQNUCYIGB-UGFHNGPFSA-N 1 2 347.871 3.384 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncc3sccc31)C2 ZINC001095911969 1362285092 /nfs/dbraw/zinc/28/50/92/1362285092.db2.gz BZVPPNQNUCYIGB-UGFHNGPFSA-N 1 2 347.871 3.384 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001096220015 1362437572 /nfs/dbraw/zinc/43/75/72/1362437572.db2.gz BZGKCWDHHAGBTF-SUMWQHHRSA-N 1 2 330.476 3.089 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096224294 1362441056 /nfs/dbraw/zinc/44/10/56/1362441056.db2.gz GPRDHIGCHTTYOY-INIZCTEOSA-N 1 2 328.460 3.104 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001096225102 1362442005 /nfs/dbraw/zinc/44/20/05/1362442005.db2.gz WRXATTSPKNLGRR-SFHVURJKSA-N 1 2 342.487 3.071 20 30 EGEDLO CC(C)(F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001096720988 1362662325 /nfs/dbraw/zinc/66/23/25/1362662325.db2.gz DTMJWGBKESTEHB-ZACQAIPSSA-N 1 2 348.849 3.161 20 30 EGEDLO CC(C)(F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001096720988 1362662328 /nfs/dbraw/zinc/66/23/28/1362662328.db2.gz DTMJWGBKESTEHB-ZACQAIPSSA-N 1 2 348.849 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nsc3ccccc31)C2 ZINC001097129947 1362856451 /nfs/dbraw/zinc/85/64/51/1362856451.db2.gz RKKIPIVQOQEVFV-BNOWGMLFSA-N 1 2 347.871 3.384 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nsc3ccccc31)C2 ZINC001097129947 1362856454 /nfs/dbraw/zinc/85/64/54/1362856454.db2.gz RKKIPIVQOQEVFV-BNOWGMLFSA-N 1 2 347.871 3.384 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]2CN(c3cc[nH+]c(C)n3)CC[C@H]21 ZINC001097141508 1362864012 /nfs/dbraw/zinc/86/40/12/1362864012.db2.gz ZOMXJHKJTVMGQR-DLBZAZTESA-N 1 2 342.487 3.205 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC(F)(F)C1)C2 ZINC001097186474 1362877932 /nfs/dbraw/zinc/87/79/32/1362877932.db2.gz ZWXRBHWEFKREGM-SYQHCUMBSA-N 1 2 332.822 3.286 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC(F)(F)C1)C2 ZINC001097186474 1362877934 /nfs/dbraw/zinc/87/79/34/1362877934.db2.gz ZWXRBHWEFKREGM-SYQHCUMBSA-N 1 2 332.822 3.286 20 30 EGEDLO CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)CCC1 ZINC001097653661 1363090453 /nfs/dbraw/zinc/09/04/53/1363090453.db2.gz NHUQXMLZNLYUAU-NXHRZFHOSA-N 1 2 341.430 3.109 20 30 EGEDLO CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)CCC1 ZINC001097653661 1363090458 /nfs/dbraw/zinc/09/04/58/1363090458.db2.gz NHUQXMLZNLYUAU-NXHRZFHOSA-N 1 2 341.430 3.109 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)cn2)CC1 ZINC001097789091 1363121875 /nfs/dbraw/zinc/12/18/75/1363121875.db2.gz OPVMPXKSAIRVNN-QRVBRYPASA-N 1 2 343.446 3.189 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)cn2)CC1 ZINC001097789091 1363121877 /nfs/dbraw/zinc/12/18/77/1363121877.db2.gz OPVMPXKSAIRVNN-QRVBRYPASA-N 1 2 343.446 3.189 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H](C)c2ncc(C)o2)C1 ZINC001097806130 1363125954 /nfs/dbraw/zinc/12/59/54/1363125954.db2.gz YLXMIRGIFFQHMO-JJXSEGSLSA-N 1 2 329.444 3.122 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H](C)c2ncc(C)o2)C1 ZINC001097806130 1363125955 /nfs/dbraw/zinc/12/59/55/1363125955.db2.gz YLXMIRGIFFQHMO-JJXSEGSLSA-N 1 2 329.444 3.122 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)c1cccc(F)c1)C2 ZINC001098443700 1363326899 /nfs/dbraw/zinc/32/68/99/1363326899.db2.gz XNWIEAWDNNWPGL-DXEWXGHRSA-N 1 2 336.838 3.403 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)c1cccc(F)c1)C2 ZINC001098443700 1363326902 /nfs/dbraw/zinc/32/69/02/1363326902.db2.gz XNWIEAWDNNWPGL-DXEWXGHRSA-N 1 2 336.838 3.403 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c3ccc(F)cc13)C2 ZINC001098511315 1363347899 /nfs/dbraw/zinc/34/78/99/1363347899.db2.gz NZAZDHQBJZTWKI-JLZZUVOBSA-N 1 2 347.821 3.395 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c3ccc(F)cc13)C2 ZINC001098511315 1363347902 /nfs/dbraw/zinc/34/79/02/1363347902.db2.gz NZAZDHQBJZTWKI-JLZZUVOBSA-N 1 2 347.821 3.395 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CCC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001098650776 1363417089 /nfs/dbraw/zinc/41/70/89/1363417089.db2.gz AWYOCZFPSCLBAJ-DLBZAZTESA-N 1 2 328.460 3.208 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[C@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001098720081 1363448860 /nfs/dbraw/zinc/44/88/60/1363448860.db2.gz UNWMGDYXOIHHMW-MSOLQXFVSA-N 1 2 344.503 3.431 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](OCC)C1CC1 ZINC001099080706 1363613274 /nfs/dbraw/zinc/61/32/74/1363613274.db2.gz RKUPVBIUMSGNLC-HZPDHXFCSA-N 1 2 342.911 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](OCC)C1CC1 ZINC001099080706 1363613277 /nfs/dbraw/zinc/61/32/77/1363613277.db2.gz RKUPVBIUMSGNLC-HZPDHXFCSA-N 1 2 342.911 3.161 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1coc(C)n1 ZINC001099169964 1363667622 /nfs/dbraw/zinc/66/76/22/1363667622.db2.gz BMUAHDSEKMGHMM-INIZCTEOSA-N 1 2 333.476 3.302 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1coc(C)n1 ZINC001099169964 1363667625 /nfs/dbraw/zinc/66/76/25/1363667625.db2.gz BMUAHDSEKMGHMM-INIZCTEOSA-N 1 2 333.476 3.302 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nonc1C ZINC001099194823 1363686689 /nfs/dbraw/zinc/68/66/89/1363686689.db2.gz STCUBNMYGBMIJK-CVEARBPZSA-N 1 2 348.491 3.087 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nonc1C ZINC001099194823 1363686691 /nfs/dbraw/zinc/68/66/91/1363686691.db2.gz STCUBNMYGBMIJK-CVEARBPZSA-N 1 2 348.491 3.087 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nccc(C)n1 ZINC001099200048 1363688655 /nfs/dbraw/zinc/68/86/55/1363688655.db2.gz VNTFWYNRUVTDGK-KRWDZBQOSA-N 1 2 344.503 3.248 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nccc(C)n1 ZINC001099200048 1363688657 /nfs/dbraw/zinc/68/86/57/1363688657.db2.gz VNTFWYNRUVTDGK-KRWDZBQOSA-N 1 2 344.503 3.248 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCc2cc(C(C)(C)C)ccc2C1 ZINC001324480890 1387638204 /nfs/dbraw/zinc/63/82/04/1387638204.db2.gz XSUCIBOCAUPACE-OAQYLSRUSA-N 1 2 341.499 3.397 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCc2cc(C(C)(C)C)ccc2C1 ZINC001324480890 1387638208 /nfs/dbraw/zinc/63/82/08/1387638208.db2.gz XSUCIBOCAUPACE-OAQYLSRUSA-N 1 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C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCC2CCCCC2)[C@@H](O)C1 ZINC001100094655 1364016116 /nfs/dbraw/zinc/01/61/16/1364016116.db2.gz PXZBBGDEBDSOIO-IRXDYDNUSA-N 1 2 342.911 3.041 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCC2CCCCC2)[C@@H](O)C1 ZINC001100094655 1364016117 /nfs/dbraw/zinc/01/61/17/1364016117.db2.gz PXZBBGDEBDSOIO-IRXDYDNUSA-N 1 2 342.911 3.041 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001100895297 1364318106 /nfs/dbraw/zinc/31/81/06/1364318106.db2.gz HGSHOLFSZXXHGR-RHSMWYFYSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001100895708 1364318898 /nfs/dbraw/zinc/31/88/98/1364318898.db2.gz OWSBETHAMJMUGM-DOTOQJQBSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001101038568 1364384882 /nfs/dbraw/zinc/38/48/82/1364384882.db2.gz ONAZSQKZDPJOOY-HOTGVXAUSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCN(c1nc(C)[nH+]c(C)c1C)C1CC1 ZINC001101425835 1364557474 /nfs/dbraw/zinc/55/74/74/1364557474.db2.gz FWLOFAPALZFJJP-ZDUSSCGKSA-N 1 2 330.476 3.089 20 30 EGEDLO C=CCCC1(C(=O)NCCN(c2nc(C)[nH+]c(C)c2C)C2CC2)CC1 ZINC001101434607 1364561579 /nfs/dbraw/zinc/56/15/79/1364561579.db2.gz ANSPITPOWJPTIV-UHFFFAOYSA-N 1 2 342.487 3.233 20 30 EGEDLO C=C1CC(C)(C(=O)NCCN(c2cc(C)[nH+]c(C(C)C)n2)C2CC2)C1 ZINC001101438063 1364563518 /nfs/dbraw/zinc/56/35/18/1364563518.db2.gz DYDMDUWVDDBIKX-UHFFFAOYSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)CCC[C@H](C)CCC)c1nccn12 ZINC001101630337 1364662616 /nfs/dbraw/zinc/66/26/16/1364662616.db2.gz DYGGTHANLSQQHS-SJORKVTESA-N 1 2 344.503 3.248 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1C[N@@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001102011523 1364811213 /nfs/dbraw/zinc/81/12/13/1364811213.db2.gz CETMHYDWPWHKOA-CHWSQXEVSA-N 1 2 341.908 3.337 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1C[N@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001102011523 1364811216 /nfs/dbraw/zinc/81/12/16/1364811216.db2.gz CETMHYDWPWHKOA-CHWSQXEVSA-N 1 2 341.908 3.337 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)Cn2c(C)cc3ccccc32)C1 ZINC001324628491 1387706105 /nfs/dbraw/zinc/70/61/05/1387706105.db2.gz LXGXXTHVCORJSA-LJQANCHMSA-N 1 2 345.874 3.283 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2c(C)cc3ccccc32)C1 ZINC001324628491 1387706110 /nfs/dbraw/zinc/70/61/10/1387706110.db2.gz LXGXXTHVCORJSA-LJQANCHMSA-N 1 2 345.874 3.283 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1C[N@@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001102297386 1364989251 /nfs/dbraw/zinc/98/92/51/1364989251.db2.gz YGOROCKIKBEJTL-CHWSQXEVSA-N 1 2 341.908 3.337 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1C[N@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001102297386 1364989253 /nfs/dbraw/zinc/98/92/53/1364989253.db2.gz YGOROCKIKBEJTL-CHWSQXEVSA-N 1 2 341.908 3.337 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCC[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102378125 1365031119 /nfs/dbraw/zinc/03/11/19/1365031119.db2.gz NSDANOVGRITHQC-KSSFIOAISA-N 1 2 344.503 3.337 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]c(C(C)C)n1 ZINC001102564695 1365117336 /nfs/dbraw/zinc/11/73/36/1365117336.db2.gz FEMBTNTWMZWONO-HOTGVXAUSA-N 1 2 328.460 3.054 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]c(C2CC2)n1 ZINC001102569734 1365119368 /nfs/dbraw/zinc/11/93/68/1365119368.db2.gz BZZZYLWKHBPMKQ-PVAVHDDUSA-N 1 2 340.471 3.054 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CCCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102875879 1365266508 /nfs/dbraw/zinc/26/65/08/1365266508.db2.gz GZHWFVXHZQBECU-KRWDZBQOSA-N 1 2 342.487 3.494 20 30 EGEDLO CC[C@H](CNC(=O)C#CC(C)(C)C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001103054481 1365357344 /nfs/dbraw/zinc/35/73/44/1365357344.db2.gz AJQUZQBCPIGWFQ-OAHLLOKOSA-N 1 2 330.476 3.265 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001103616327 1365679535 /nfs/dbraw/zinc/67/95/35/1365679535.db2.gz OCOZAJQKGSTPTQ-DLBZAZTESA-N 1 2 330.476 3.428 20 30 EGEDLO C=CCOCC(=O)NC[C@H](C)CNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001103899854 1365828158 /nfs/dbraw/zinc/82/81/58/1365828158.db2.gz CWVQAMLFUBKCPQ-OAHLLOKOSA-N 1 2 348.491 3.090 20 30 EGEDLO C=CC[C@@H](C(=O)NC[C@H](C)CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001103990408 1365861828 /nfs/dbraw/zinc/86/18/28/1365861828.db2.gz DERQTHMRSOSCIA-CRAIPNDOSA-N 1 2 338.455 3.309 20 30 EGEDLO C=CCCC(=O)NCC1(Nc2nc(C)[nH+]c3c2CCCC3)CCCC1 ZINC001104372912 1365992764 /nfs/dbraw/zinc/99/27/64/1365992764.db2.gz RMYOWODHVWXUOD-UHFFFAOYSA-N 1 2 342.487 3.471 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H](CNc2cc[nH+]c(C)n2)CC(C)C)CC1 ZINC001104987678 1366259991 /nfs/dbraw/zinc/25/99/91/1366259991.db2.gz JGMXLOICCVFFJC-MRXNPFEDSA-N 1 2 330.476 3.474 20 30 EGEDLO C=CCC1(C(=O)N[C@H](CNc2cc[nH+]c(C)n2)CC(C)C)CCC1 ZINC001104995460 1366264251 /nfs/dbraw/zinc/26/42/51/1366264251.db2.gz RNJWWLDKLADORQ-INIZCTEOSA-N 1 2 330.476 3.474 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[C@H]([C@@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001105081196 1366313667 /nfs/dbraw/zinc/31/36/67/1366313667.db2.gz HXCAMSHYSLBLRF-AEFFLSMTSA-N 1 2 342.487 3.408 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N(C)CCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001105528636 1366512036 /nfs/dbraw/zinc/51/20/36/1366512036.db2.gz RMGWMUXOYXEJNB-GDBMZVCRSA-N 1 2 332.492 3.261 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@H](C)CC(C)(C)C)CC2)C1 ZINC001105724447 1366585762 /nfs/dbraw/zinc/58/57/62/1366585762.db2.gz CPAFYVCAJHRPDC-INIZCTEOSA-N 1 2 336.520 3.327 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)CCCCC(C)C)CC2)C1 ZINC001105728061 1366586843 /nfs/dbraw/zinc/58/68/43/1366586843.db2.gz KZRSLBAHTWOZRY-UHFFFAOYSA-N 1 2 336.520 3.471 20 30 EGEDLO CC(C)c1cc(NCC[C@@H](C)NC(=O)[C@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001106268095 1366639806 /nfs/dbraw/zinc/63/98/06/1366639806.db2.gz CCGALXNINVJLKA-ZIAGYGMSSA-N 1 2 331.464 3.190 20 30 EGEDLO C#CCC1(C(=O)N[C@H](C)CCNc2cc[nH+]c(C)n2)CCCCC1 ZINC001106361288 1366669992 /nfs/dbraw/zinc/66/99/92/1366669992.db2.gz CNIZHXVGZQFQKV-OAHLLOKOSA-N 1 2 328.460 3.066 20 30 EGEDLO C=CC[C@@H](C(=O)NC/C=C/CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001107210092 1366892152 /nfs/dbraw/zinc/89/21/52/1366892152.db2.gz CLHRPHZPFFCLLL-LKGOPFMKSA-N 1 2 336.439 3.229 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)CN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001109189151 1366993822 /nfs/dbraw/zinc/99/38/22/1366993822.db2.gz HVKJEHJYOONISP-AWEZNQCLSA-N 1 2 344.503 3.207 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001109189616 1366993852 /nfs/dbraw/zinc/99/38/52/1366993852.db2.gz QBGSNMWWNLLAGN-AWEZNQCLSA-N 1 2 330.476 3.206 20 30 EGEDLO C=CCC1(C(=O)NC/C=C\CNc2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001107501133 1366998566 /nfs/dbraw/zinc/99/85/66/1366998566.db2.gz GDADSYATFLZQHM-PLNGDYQASA-N 1 2 340.471 3.493 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001109202603 1367000131 /nfs/dbraw/zinc/00/01/31/1367000131.db2.gz HXNFEMGLRGVGKY-JKSUJKDBSA-N 1 2 332.492 3.452 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1csnn1)CC2 ZINC001107514620 1367012347 /nfs/dbraw/zinc/01/23/47/1367012347.db2.gz OPKVFRMBHRDMBD-QGPMSJSTSA-N 1 2 348.516 3.001 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1csnn1)CC2 ZINC001107514620 1367012349 /nfs/dbraw/zinc/01/23/49/1367012349.db2.gz OPKVFRMBHRDMBD-QGPMSJSTSA-N 1 2 348.516 3.001 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)/C=C\C(C)(C)C)C1 ZINC001189427373 1367019421 /nfs/dbraw/zinc/01/94/21/1367019421.db2.gz IVHKBTTXSRHMFO-WOLRVDTOSA-N 1 2 329.282 3.030 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)/C=C\C(C)(C)C)C1 ZINC001189427373 1367019418 /nfs/dbraw/zinc/01/94/18/1367019418.db2.gz IVHKBTTXSRHMFO-WOLRVDTOSA-N 1 2 329.282 3.030 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc2ccccc2o1 ZINC001109351192 1367081560 /nfs/dbraw/zinc/08/15/60/1367081560.db2.gz RFPZLNHZUHUKNE-PVAVHDDUSA-N 1 2 339.439 3.406 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc2ccccc2o1 ZINC001109351192 1367081564 /nfs/dbraw/zinc/08/15/64/1367081564.db2.gz RFPZLNHZUHUKNE-PVAVHDDUSA-N 1 2 339.439 3.406 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C(C)(C)C)o2)C1 ZINC001189751307 1367102245 /nfs/dbraw/zinc/10/22/45/1367102245.db2.gz DKRICMQRWXAOGA-INIZCTEOSA-N 1 2 345.487 3.198 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C(C)(C)C)o2)C1 ZINC001189751307 1367102249 /nfs/dbraw/zinc/10/22/49/1367102249.db2.gz DKRICMQRWXAOGA-INIZCTEOSA-N 1 2 345.487 3.198 20 30 EGEDLO CC(C)c1cc(NCCCN(C)C(=O)[C@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001109393294 1367102608 /nfs/dbraw/zinc/10/26/08/1367102608.db2.gz AGVCSDSAQYAGGS-CQSZACIVSA-N 1 2 331.464 3.143 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21 ZINC001189936900 1367134907 /nfs/dbraw/zinc/13/49/07/1367134907.db2.gz MXCONWCMNQSYCM-ZWKOTPCHSA-N 1 2 344.503 3.260 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21 ZINC001189936900 1367134912 /nfs/dbraw/zinc/13/49/12/1367134912.db2.gz MXCONWCMNQSYCM-ZWKOTPCHSA-N 1 2 344.503 3.260 20 30 EGEDLO CC(C)(NC(=O)c1ccccc1-n1cc[nH+]c1)c1ccc(C#N)cc1 ZINC001190107962 1367174520 /nfs/dbraw/zinc/17/45/20/1367174520.db2.gz WIMKOOIDTGROSC-UHFFFAOYSA-N 1 2 330.391 3.409 20 30 EGEDLO C=C(C)CCC(=O)N(C)CCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001109535065 1367184249 /nfs/dbraw/zinc/18/42/49/1367184249.db2.gz FARBMXQMGGPQIH-UHFFFAOYSA-N 1 2 330.476 3.281 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2ncc(C)o2)C1 ZINC001190354711 1367236442 /nfs/dbraw/zinc/23/64/42/1367236442.db2.gz OADYYWLGZIDBPZ-RDJZCZTQSA-N 1 2 331.460 3.345 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2ncc(C)o2)C1 ZINC001190354711 1367236446 /nfs/dbraw/zinc/23/64/46/1367236446.db2.gz OADYYWLGZIDBPZ-RDJZCZTQSA-N 1 2 331.460 3.345 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H]([N@H+](C)Cc2nc(C)oc2C)C1 ZINC001190355123 1367237238 /nfs/dbraw/zinc/23/72/38/1367237238.db2.gz TYAKTYYENILNAJ-KRWDZBQOSA-N 1 2 331.460 3.093 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H]([N@@H+](C)Cc2nc(C)oc2C)C1 ZINC001190355123 1367237243 /nfs/dbraw/zinc/23/72/43/1367237243.db2.gz TYAKTYYENILNAJ-KRWDZBQOSA-N 1 2 331.460 3.093 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(O)ccc2Cl)C1 ZINC001190435571 1367264941 /nfs/dbraw/zinc/26/49/41/1367264941.db2.gz HIAAIYWGWOHEKE-OAHLLOKOSA-N 1 2 336.863 3.435 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(O)ccc2Cl)C1 ZINC001190435571 1367264946 /nfs/dbraw/zinc/26/49/46/1367264946.db2.gz HIAAIYWGWOHEKE-OAHLLOKOSA-N 1 2 336.863 3.435 20 30 EGEDLO C=CCC1(C(=O)N[C@H](C)CNc2nc(C)[nH+]c3c2CCCC3)CCC1 ZINC001108085832 1367276384 /nfs/dbraw/zinc/27/63/84/1367276384.db2.gz VCVDQHDQBDDAQF-CQSZACIVSA-N 1 2 342.487 3.327 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C2CC2)no1 ZINC001109678867 1367277381 /nfs/dbraw/zinc/27/73/81/1367277381.db2.gz KHBAAUURJAJHTB-QBMUGXQSSA-N 1 2 343.471 3.376 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C2CC2)no1 ZINC001109678867 1367277384 /nfs/dbraw/zinc/27/73/84/1367277384.db2.gz KHBAAUURJAJHTB-QBMUGXQSSA-N 1 2 343.471 3.376 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cccc(C3CCCC3)c2)C1 ZINC001108342894 1367400920 /nfs/dbraw/zinc/40/09/20/1367400920.db2.gz KGBGBXQUWLEAQL-NRFANRHFSA-N 1 2 342.483 3.351 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cccc(C3CCCC3)c2)C1 ZINC001108342894 1367400924 /nfs/dbraw/zinc/40/09/24/1367400924.db2.gz KGBGBXQUWLEAQL-NRFANRHFSA-N 1 2 342.483 3.351 20 30 EGEDLO Cc1cc(NC[C@H](C)NC(=O)CC#Cc2ccccc2)nc(C2CC2)[nH+]1 ZINC001108400791 1367434274 /nfs/dbraw/zinc/43/42/74/1367434274.db2.gz QVAWXJFREBDYAF-INIZCTEOSA-N 1 2 348.450 3.021 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2ncc(C)o2)C1 ZINC001191754095 1367576461 /nfs/dbraw/zinc/57/64/61/1367576461.db2.gz KXYLNPBOMTYTFW-SJORKVTESA-N 1 2 331.460 3.160 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2ncc(C)o2)C1 ZINC001191754095 1367576465 /nfs/dbraw/zinc/57/64/65/1367576465.db2.gz KXYLNPBOMTYTFW-SJORKVTESA-N 1 2 331.460 3.160 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]([N@H+](C)Cc2nc(C)c(C)s2)C1 ZINC001191754331 1367576824 /nfs/dbraw/zinc/57/68/24/1367576824.db2.gz OEDVECCGSZKKSL-KRWDZBQOSA-N 1 2 347.528 3.376 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2nc(C)c(C)s2)C1 ZINC001191754331 1367576829 /nfs/dbraw/zinc/57/68/29/1367576829.db2.gz OEDVECCGSZKKSL-KRWDZBQOSA-N 1 2 347.528 3.376 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC001191889072 1367626555 /nfs/dbraw/zinc/62/65/55/1367626555.db2.gz AJGDIWQBNBYDBA-HOTGVXAUSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC001191889072 1367626567 /nfs/dbraw/zinc/62/65/67/1367626567.db2.gz AJGDIWQBNBYDBA-HOTGVXAUSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2nc(C)c(C)s2)C1 ZINC001191890823 1367627651 /nfs/dbraw/zinc/62/76/51/1367627651.db2.gz URFVGYZPBJJHDZ-HZPDHXFCSA-N 1 2 335.517 3.395 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(C)c(C)s2)C1 ZINC001191890823 1367627655 /nfs/dbraw/zinc/62/76/55/1367627655.db2.gz URFVGYZPBJJHDZ-HZPDHXFCSA-N 1 2 335.517 3.395 20 30 EGEDLO CCC(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001108959373 1367686126 /nfs/dbraw/zinc/68/61/26/1367686126.db2.gz RBPUIPWZDOEAKO-NEWSRXKRSA-N 1 2 343.446 3.355 20 30 EGEDLO CCC(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001108959373 1367686131 /nfs/dbraw/zinc/68/61/31/1367686131.db2.gz RBPUIPWZDOEAKO-NEWSRXKRSA-N 1 2 343.446 3.355 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@H]1[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001110415607 1367705371 /nfs/dbraw/zinc/70/53/71/1367705371.db2.gz RHUKFPSQSMVTGL-ROUUACIJSA-N 1 2 342.487 3.349 20 30 EGEDLO CC[C@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110491584 1367778257 /nfs/dbraw/zinc/77/82/57/1367778257.db2.gz RMJNIIVQHMOACN-QVSURHGTSA-N 1 2 343.446 3.355 20 30 EGEDLO CC[C@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110491584 1367778259 /nfs/dbraw/zinc/77/82/59/1367778259.db2.gz RMJNIIVQHMOACN-QVSURHGTSA-N 1 2 343.446 3.355 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2nc(C)sc2C)C1 ZINC001192586063 1367825726 /nfs/dbraw/zinc/82/57/26/1367825726.db2.gz IBGABDVNZDANDK-HNNXBMFYSA-N 1 2 335.517 3.395 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2nc(C)sc2C)C1 ZINC001192586063 1367825731 /nfs/dbraw/zinc/82/57/31/1367825731.db2.gz IBGABDVNZDANDK-HNNXBMFYSA-N 1 2 335.517 3.395 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H](CNc1cc[nH+]c(C)n1)C1CCCC1 ZINC001110675661 1367916611 /nfs/dbraw/zinc/91/66/11/1367916611.db2.gz DWEJSXMMCQGVQL-DOTOQJQBSA-N 1 2 330.476 3.474 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)CC[C@@H](C)CC)C1 ZINC001193017293 1367923939 /nfs/dbraw/zinc/92/39/39/1367923939.db2.gz LKTGYOJMGYLWDO-JSGCOSHPSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)CC[C@@H](C)CC)C1 ZINC001193017293 1367923938 /nfs/dbraw/zinc/92/39/38/1367923938.db2.gz LKTGYOJMGYLWDO-JSGCOSHPSA-N 1 2 331.298 3.254 20 30 EGEDLO C=CC1(CC(=O)N2CC[C@@H]([NH2+][C@@H](C)c3nnc(C)o3)C2)CCCCC1 ZINC001186280608 1387914413 /nfs/dbraw/zinc/91/44/13/1387914413.db2.gz FSEDFWQPWJTREW-GOEBONIOSA-N 1 2 346.475 3.156 20 30 EGEDLO CC[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001110903688 1368077559 /nfs/dbraw/zinc/07/75/59/1368077559.db2.gz RYVRVXMOZCRZOG-TVFCKZIOSA-N 1 2 348.849 3.161 20 30 EGEDLO CC[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001110903688 1368077562 /nfs/dbraw/zinc/07/75/62/1368077562.db2.gz RYVRVXMOZCRZOG-TVFCKZIOSA-N 1 2 348.849 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccncc1)C(C)C)C2 ZINC001110946492 1368113418 /nfs/dbraw/zinc/11/34/18/1368113418.db2.gz OAISODJFPQMZPE-BDXSIMOUSA-N 1 2 347.890 3.295 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccncc1)C(C)C)C2 ZINC001110946492 1368113422 /nfs/dbraw/zinc/11/34/22/1368113422.db2.gz OAISODJFPQMZPE-BDXSIMOUSA-N 1 2 347.890 3.295 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001111088035 1368156883 /nfs/dbraw/zinc/15/68/83/1368156883.db2.gz VHXYSKWYIQWFMN-AZFSHXRASA-N 1 2 343.446 3.211 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001111088035 1368156890 /nfs/dbraw/zinc/15/68/90/1368156890.db2.gz VHXYSKWYIQWFMN-AZFSHXRASA-N 1 2 343.446 3.211 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]([C@@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001111210289 1368190084 /nfs/dbraw/zinc/19/00/84/1368190084.db2.gz CCRLNVQTLONYOV-ZBFHGGJFSA-N 1 2 328.460 3.278 20 30 EGEDLO C=CCOC(=O)NC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC001194343232 1368238596 /nfs/dbraw/zinc/23/85/96/1368238596.db2.gz LIRUKXZUMPJEGG-UHFFFAOYSA-N 1 2 326.799 3.356 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3cc(C)on3)C2)CCCC1 ZINC001194532894 1368281317 /nfs/dbraw/zinc/28/13/17/1368281317.db2.gz YUFBAJHOZMPRDH-KRWDZBQOSA-N 1 2 331.460 3.152 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3cc(C)on3)C2)CCCC1 ZINC001194532894 1368281319 /nfs/dbraw/zinc/28/13/19/1368281319.db2.gz YUFBAJHOZMPRDH-KRWDZBQOSA-N 1 2 331.460 3.152 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccn(CC)n3)C2)CCCC1 ZINC001194554473 1368284811 /nfs/dbraw/zinc/28/48/11/1368284811.db2.gz AGKMRJPAJJKDRE-SFHVURJKSA-N 1 2 344.503 3.072 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3ccn(CC)n3)C2)CCCC1 ZINC001194554473 1368284815 /nfs/dbraw/zinc/28/48/15/1368284815.db2.gz AGKMRJPAJJKDRE-SFHVURJKSA-N 1 2 344.503 3.072 20 30 EGEDLO CCCCCCCCCOC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001194910522 1368345782 /nfs/dbraw/zinc/34/57/82/1368345782.db2.gz UPGXYXVSHYXFSW-QGZVFWFLSA-N 1 2 326.481 3.280 20 30 EGEDLO C=CCCC(=O)N1CCC[N@H+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC001195233592 1368405026 /nfs/dbraw/zinc/40/50/26/1368405026.db2.gz WXZWYWHRPSPLLH-UHFFFAOYSA-N 1 2 339.439 3.342 20 30 EGEDLO C=CCCC(=O)N1CCC[N@@H+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC001195233592 1368405031 /nfs/dbraw/zinc/40/50/31/1368405031.db2.gz WXZWYWHRPSPLLH-UHFFFAOYSA-N 1 2 339.439 3.342 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1CC[C@H](CNc2cc[nH+]c(C)n2)CC1 ZINC001111644791 1368407466 /nfs/dbraw/zinc/40/74/66/1368407466.db2.gz KANYTFCCYLWHLP-DJIMGWMZSA-N 1 2 330.476 3.474 20 30 EGEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)c1nc(C(C)C)no1)C2 ZINC001111648935 1368411539 /nfs/dbraw/zinc/41/15/39/1368411539.db2.gz VWANEKNSMQPFRQ-VCBZYWHSSA-N 1 2 346.475 3.191 20 30 EGEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)c1nc(C(C)C)no1)C2 ZINC001111648935 1368411543 /nfs/dbraw/zinc/41/15/43/1368411543.db2.gz VWANEKNSMQPFRQ-VCBZYWHSSA-N 1 2 346.475 3.191 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@@H+](Cc2cc(Cl)ccc2OC)CC1 ZINC001195681542 1368471963 /nfs/dbraw/zinc/47/19/63/1368471963.db2.gz FUJHCJXHJNQTRX-UHFFFAOYSA-N 1 2 348.874 3.186 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@H+](Cc2cc(Cl)ccc2OC)CC1 ZINC001195681542 1368471964 /nfs/dbraw/zinc/47/19/64/1368471964.db2.gz FUJHCJXHJNQTRX-UHFFFAOYSA-N 1 2 348.874 3.186 20 30 EGEDLO CC(C)(C)C#CC(=O)N1CCC[N@H+](Cc2ccc(Cl)s2)CC1 ZINC001195781272 1368488577 /nfs/dbraw/zinc/48/85/77/1368488577.db2.gz SMASNHIUMGXMNS-UHFFFAOYSA-N 1 2 338.904 3.485 20 30 EGEDLO CC(C)(C)C#CC(=O)N1CCC[N@@H+](Cc2ccc(Cl)s2)CC1 ZINC001195781272 1368488578 /nfs/dbraw/zinc/48/85/78/1368488578.db2.gz SMASNHIUMGXMNS-UHFFFAOYSA-N 1 2 338.904 3.485 20 30 EGEDLO CC(C)CC1(C(=O)N2CCC[N@H+](Cc3ccccc3C#N)CC2)CC1 ZINC001196123584 1368552153 /nfs/dbraw/zinc/55/21/53/1368552153.db2.gz ADAFVZWKTIBHAS-UHFFFAOYSA-N 1 2 339.483 3.419 20 30 EGEDLO CC(C)CC1(C(=O)N2CCC[N@@H+](Cc3ccccc3C#N)CC2)CC1 ZINC001196123584 1368552160 /nfs/dbraw/zinc/55/21/60/1368552160.db2.gz ADAFVZWKTIBHAS-UHFFFAOYSA-N 1 2 339.483 3.419 20 30 EGEDLO CC(C)(CC(F)F)C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC001196124249 1368553030 /nfs/dbraw/zinc/55/30/30/1368553030.db2.gz LNFYGPYYIILYTE-UHFFFAOYSA-N 1 2 348.437 3.254 20 30 EGEDLO CC(C)(CC(F)F)C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001196124249 1368553032 /nfs/dbraw/zinc/55/30/32/1368553032.db2.gz LNFYGPYYIILYTE-UHFFFAOYSA-N 1 2 348.437 3.254 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CCCc2ccsc2)CC1 ZINC001196242132 1368573945 /nfs/dbraw/zinc/57/39/45/1368573945.db2.gz CPVRCHLWGOASMN-UHFFFAOYSA-N 1 2 326.893 3.358 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CCCc2ccsc2)CC1 ZINC001196242132 1368573947 /nfs/dbraw/zinc/57/39/47/1368573947.db2.gz CPVRCHLWGOASMN-UHFFFAOYSA-N 1 2 326.893 3.358 20 30 EGEDLO CCCC[C@@](C)(F)C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC001196357627 1368597499 /nfs/dbraw/zinc/59/74/99/1368597499.db2.gz HSFACLHPQQLTGT-OAQYLSRUSA-N 1 2 344.474 3.491 20 30 EGEDLO CCCC[C@@](C)(F)C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001196357627 1368597504 /nfs/dbraw/zinc/59/75/04/1368597504.db2.gz HSFACLHPQQLTGT-OAQYLSRUSA-N 1 2 344.474 3.491 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2ccncc2Cl)CC1 ZINC001196853243 1368698800 /nfs/dbraw/zinc/69/88/00/1368698800.db2.gz IYMVBPQZIHLUEG-CABCVRRESA-N 1 2 335.879 3.228 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccncc2Cl)CC1 ZINC001196853243 1368698803 /nfs/dbraw/zinc/69/88/03/1368698803.db2.gz IYMVBPQZIHLUEG-CABCVRRESA-N 1 2 335.879 3.228 20 30 EGEDLO CCCC(C)(C)C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001196992849 1368726823 /nfs/dbraw/zinc/72/68/23/1368726823.db2.gz AGRXRDQWQGHGFR-UHFFFAOYSA-N 1 2 327.472 3.419 20 30 EGEDLO CCCC(C)(C)C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001196992849 1368726824 /nfs/dbraw/zinc/72/68/24/1368726824.db2.gz AGRXRDQWQGHGFR-UHFFFAOYSA-N 1 2 327.472 3.419 20 30 EGEDLO C=CCCC1(C(=O)N2CCC[N@@H+]([C@H](C)c3cnc(C)cn3)CC2)CC1 ZINC001197061726 1368737229 /nfs/dbraw/zinc/73/72/29/1368737229.db2.gz FWMWCXMPXWGEIE-QGZVFWFLSA-N 1 2 342.487 3.127 20 30 EGEDLO C=CCCC1(C(=O)N2CCC[N@H+]([C@H](C)c3cnc(C)cn3)CC2)CC1 ZINC001197061726 1368737234 /nfs/dbraw/zinc/73/72/34/1368737234.db2.gz FWMWCXMPXWGEIE-QGZVFWFLSA-N 1 2 342.487 3.127 20 30 EGEDLO CCCC1(C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)CC1 ZINC001197110454 1368746917 /nfs/dbraw/zinc/74/69/17/1368746917.db2.gz IHVRSFQZFIBLQQ-UHFFFAOYSA-N 1 2 331.485 3.234 20 30 EGEDLO CCCC1(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)CC1 ZINC001197110454 1368746922 /nfs/dbraw/zinc/74/69/22/1368746922.db2.gz IHVRSFQZFIBLQQ-UHFFFAOYSA-N 1 2 331.485 3.234 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001112325028 1368766487 /nfs/dbraw/zinc/76/64/87/1368766487.db2.gz GHOREMFLXIVWGP-CJNGLKHVSA-N 1 2 328.460 3.278 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001112380189 1368808069 /nfs/dbraw/zinc/80/80/69/1368808069.db2.gz XDYODZVRNOYBRM-HNNXBMFYSA-N 1 2 330.476 3.108 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001112434373 1368850641 /nfs/dbraw/zinc/85/06/41/1368850641.db2.gz XOPZMRAGIFUFGV-PBHICJAKSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N(C)[C@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001112633121 1368963005 /nfs/dbraw/zinc/96/30/05/1368963005.db2.gz CLTUQSJZKYGNNR-QFBILLFUSA-N 1 2 330.476 3.205 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC(CN(CC)c2cc[nH+]c(C)n2)CC1 ZINC001112687012 1368981294 /nfs/dbraw/zinc/98/12/94/1368981294.db2.gz NUTJESZJQTZMNI-HZPDHXFCSA-N 1 2 344.503 3.308 20 30 EGEDLO C#CCCCCC(=O)N1CC[NH+]([C@H]2CCc3c2cccc3F)CC1 ZINC001112775210 1368995253 /nfs/dbraw/zinc/99/52/53/1368995253.db2.gz KNNNQVGLZYXPDI-IBGZPJMESA-N 1 2 328.431 3.151 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@@H+](Cc3snnc3C)CC2)CCCC1 ZINC001198423183 1369030143 /nfs/dbraw/zinc/03/01/43/1369030143.db2.gz MHZYBIBQAHNHPQ-UHFFFAOYSA-N 1 2 348.516 3.017 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@H+](Cc3snnc3C)CC2)CCCC1 ZINC001198423183 1369030150 /nfs/dbraw/zinc/03/01/50/1369030150.db2.gz MHZYBIBQAHNHPQ-UHFFFAOYSA-N 1 2 348.516 3.017 20 30 EGEDLO CC(C)Oc1cccc(C[NH+]2CCN(C(=O)C#CC(C)(C)C)CC2)c1 ZINC001112832075 1369034397 /nfs/dbraw/zinc/03/43/97/1369034397.db2.gz FEPVBPOWKTVTGM-UHFFFAOYSA-N 1 2 342.483 3.168 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)C1CC(C)C1)c1ccccc1OC ZINC001198655886 1369084818 /nfs/dbraw/zinc/08/48/18/1369084818.db2.gz IAQLCURKHKYNBY-PXCJXSSVSA-N 1 2 336.863 3.241 20 30 EGEDLO C#CCCCCC(=O)NC[C@H]([NH2+]CC(=C)Cl)c1ccccc1OC ZINC001198677163 1369088692 /nfs/dbraw/zinc/08/86/92/1369088692.db2.gz IMQXQUSQBIUFBV-KRWDZBQOSA-N 1 2 348.874 3.388 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC001113164288 1369237502 /nfs/dbraw/zinc/23/75/02/1369237502.db2.gz KLULANAOFJJUGO-HXUWFJFHSA-N 1 2 348.462 3.007 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC001113229770 1369277732 /nfs/dbraw/zinc/27/77/32/1369277732.db2.gz QRHSFTKMJAUMHA-LSDHHAIUSA-N 1 2 336.426 3.110 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC001113243284 1369288637 /nfs/dbraw/zinc/28/86/37/1369288637.db2.gz GQPFDFIDEFJNOI-KBPBESRZSA-N 1 2 333.303 3.317 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H](C)[C@H](C)Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001113286455 1369319575 /nfs/dbraw/zinc/31/95/75/1369319575.db2.gz LCXITWCIUCMWMA-KBPBESRZSA-N 1 2 342.487 3.325 20 30 EGEDLO C#CCC1(C(=O)NC[C@H](C)N(C)c2cc(C)[nH+]c(C(C)C)n2)CCC1 ZINC001113738305 1369596675 /nfs/dbraw/zinc/59/66/75/1369596675.db2.gz QPRRVRQZFJNUBS-INIZCTEOSA-N 1 2 342.487 3.043 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001113821418 1369622932 /nfs/dbraw/zinc/62/29/32/1369622932.db2.gz CCYTWVQSICAJNC-GOEBONIOSA-N 1 2 332.492 3.452 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)CC[C@H]1C ZINC001114023780 1369689237 /nfs/dbraw/zinc/68/92/37/1369689237.db2.gz JTUAUGNGELPMFN-NVXWUHKLSA-N 1 2 342.487 3.043 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N(C)CC[C@H](Nc1cc[nH+]c(C)n1)C(C)C ZINC001114090134 1369729306 /nfs/dbraw/zinc/72/93/06/1369729306.db2.gz YTIUHNFZAWVYQK-WBVHZDCISA-N 1 2 348.491 3.051 20 30 EGEDLO CCCC[C@H](CNc1cc(C)[nH+]c(C(C)C)n1)NC(=O)[C@H](C)C#N ZINC001114219166 1369803018 /nfs/dbraw/zinc/80/30/18/1369803018.db2.gz VYSPZKDWARHSAW-UKRRQHHQSA-N 1 2 331.464 3.155 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H](CCCC)CNc1cc[nH+]c(C)n1 ZINC001114294023 1369859664 /nfs/dbraw/zinc/85/96/64/1369859664.db2.gz SFIUJQDRQQLOJG-LPHOPBHVSA-N 1 2 348.491 3.101 20 30 EGEDLO N#Cc1cccc(NC(=O)NCc2c[nH+]cn2Cc2ccccc2F)c1 ZINC001202798153 1369897603 /nfs/dbraw/zinc/89/76/03/1369897603.db2.gz OBASFFAJTZWFFN-UHFFFAOYSA-N 1 2 349.369 3.264 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)CC1(C)C ZINC001114484514 1369971419 /nfs/dbraw/zinc/97/14/19/1369971419.db2.gz BMPRSKKGMONBMC-INIZCTEOSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H]2CN(c3cc[nH+]c(C)n3)C[C@@H]2C1 ZINC001114656855 1370009794 /nfs/dbraw/zinc/00/97/94/1370009794.db2.gz MXRWWGVHJOPEOP-IXDOHACOSA-N 1 2 342.487 3.108 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H]2CN(c3cc[nH+]c(C)n3)C[C@@H]2C1 ZINC001114660035 1370012434 /nfs/dbraw/zinc/01/24/34/1370012434.db2.gz KPALEYIPKVKQJK-YESZJQIVSA-N 1 2 342.487 3.108 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001114687198 1370025086 /nfs/dbraw/zinc/02/50/86/1370025086.db2.gz ZELLHGSJYQLNSM-TTZDDIAXSA-N 1 2 345.487 3.292 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001114687198 1370025090 /nfs/dbraw/zinc/02/50/90/1370025090.db2.gz ZELLHGSJYQLNSM-TTZDDIAXSA-N 1 2 345.487 3.292 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]CC(F)(F)C(F)F)C12CCC2 ZINC001203280005 1370058561 /nfs/dbraw/zinc/05/85/61/1370058561.db2.gz CNDWOKOXJCYHOZ-MNOVXSKESA-N 1 2 336.373 3.116 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]([NH2+]CC(F)(F)C(F)F)C12CCC2 ZINC001203280951 1370059551 /nfs/dbraw/zinc/05/95/51/1370059551.db2.gz LXSUEJWYJWEHLT-QWHCGFSZSA-N 1 2 348.384 3.097 20 30 EGEDLO CCCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114765168 1370068063 /nfs/dbraw/zinc/06/80/63/1370068063.db2.gz ALQHBEXUCXBSCV-PIIMJCKOSA-N 1 2 343.446 3.070 20 30 EGEDLO CCCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114765168 1370068068 /nfs/dbraw/zinc/06/80/68/1370068068.db2.gz ALQHBEXUCXBSCV-PIIMJCKOSA-N 1 2 343.446 3.070 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[N@@H+]2Cc1cccc(C#N)c1 ZINC001203758217 1370252213 /nfs/dbraw/zinc/25/22/13/1370252213.db2.gz ULSOSUTUQXUOMW-IAGOWNOFSA-N 1 2 327.428 3.142 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[N@H+]2Cc1cccc(C#N)c1 ZINC001203758217 1370252216 /nfs/dbraw/zinc/25/22/16/1370252216.db2.gz ULSOSUTUQXUOMW-IAGOWNOFSA-N 1 2 327.428 3.142 20 30 EGEDLO C=CCOCc1ncn2c1C[N@H+](Cc1ccc(OC)c(F)c1)CCC2 ZINC001203789477 1370265519 /nfs/dbraw/zinc/26/55/19/1370265519.db2.gz PFCOFIYXTPBZLG-UHFFFAOYSA-N 1 2 345.418 3.139 20 30 EGEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1ccc(OC)c(F)c1)CCC2 ZINC001203789477 1370265521 /nfs/dbraw/zinc/26/55/21/1370265521.db2.gz PFCOFIYXTPBZLG-UHFFFAOYSA-N 1 2 345.418 3.139 20 30 EGEDLO CCCCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001115161682 1370321580 /nfs/dbraw/zinc/32/15/80/1370321580.db2.gz KKVDEURZSSVPFM-DZFIZOCASA-N 1 2 348.491 3.147 20 30 EGEDLO CCCCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001115161682 1370321584 /nfs/dbraw/zinc/32/15/84/1370321584.db2.gz KKVDEURZSSVPFM-DZFIZOCASA-N 1 2 348.491 3.147 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(C)on3)C[C@H]21 ZINC001115164227 1370322081 /nfs/dbraw/zinc/32/20/81/1370322081.db2.gz RNZLYZORDVXBSU-DZFIZOCASA-N 1 2 333.476 3.280 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(C)on3)C[C@H]21 ZINC001115164227 1370322086 /nfs/dbraw/zinc/32/20/86/1370322086.db2.gz RNZLYZORDVXBSU-DZFIZOCASA-N 1 2 333.476 3.280 20 30 EGEDLO CCCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(C)no3)C[C@H]21 ZINC001115164494 1370323386 /nfs/dbraw/zinc/32/33/86/1370323386.db2.gz XNTTWNWPDGGLFM-MNZLEMJZSA-N 1 2 348.491 3.065 20 30 EGEDLO CCCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(C)no3)C[C@H]21 ZINC001115164494 1370323390 /nfs/dbraw/zinc/32/33/90/1370323390.db2.gz XNTTWNWPDGGLFM-MNZLEMJZSA-N 1 2 348.491 3.065 20 30 EGEDLO CCCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001115196355 1370331798 /nfs/dbraw/zinc/33/17/98/1370331798.db2.gz DFMPOGLEXUPFIL-RUYXUALKSA-N 1 2 343.446 3.214 20 30 EGEDLO CCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001115196355 1370331803 /nfs/dbraw/zinc/33/18/03/1370331803.db2.gz DFMPOGLEXUPFIL-RUYXUALKSA-N 1 2 343.446 3.214 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4coc(C)n4)C[C@H]32)CCCCC1 ZINC001115278151 1370356190 /nfs/dbraw/zinc/35/61/90/1370356190.db2.gz NTMYNQJATPUNNK-PIIMJCKOSA-N 1 2 343.471 3.056 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4coc(C)n4)C[C@H]32)CCCCC1 ZINC001115278151 1370356194 /nfs/dbraw/zinc/35/61/94/1370356194.db2.gz NTMYNQJATPUNNK-PIIMJCKOSA-N 1 2 343.471 3.056 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC001187192070 1388068729 /nfs/dbraw/zinc/06/87/29/1388068729.db2.gz VBTHTDRLELQZBK-GOEBONIOSA-N 1 2 331.485 3.019 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC001187192070 1388068735 /nfs/dbraw/zinc/06/87/35/1388068735.db2.gz VBTHTDRLELQZBK-GOEBONIOSA-N 1 2 331.485 3.019 20 30 EGEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2nccs2)CC1 ZINC001204548476 1370511494 /nfs/dbraw/zinc/51/14/94/1370511494.db2.gz MAWAIBXDLMNEDF-UHFFFAOYSA-N 1 2 329.425 3.067 20 30 EGEDLO CCC[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206687068 1371134055 /nfs/dbraw/zinc/13/40/55/1371134055.db2.gz PKXOLVKOTRTJCY-HBUWYVDXSA-N 1 2 331.435 3.070 20 30 EGEDLO CCC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206687068 1371134058 /nfs/dbraw/zinc/13/40/58/1371134058.db2.gz PKXOLVKOTRTJCY-HBUWYVDXSA-N 1 2 331.435 3.070 20 30 EGEDLO COc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2F)cc1CC#N ZINC001206703646 1371139216 /nfs/dbraw/zinc/13/92/16/1371139216.db2.gz ODFWWXUMDLMMJW-UHFFFAOYSA-N 1 2 340.398 3.400 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C(C)(C)C)o2)C[C@H]1C ZINC001206887129 1371207725 /nfs/dbraw/zinc/20/77/25/1371207725.db2.gz XRFRQYYAIIDTLR-HZPDHXFCSA-N 1 2 345.487 3.102 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](Cc2ncc(C(C)(C)C)o2)C[C@H]1C ZINC001206887129 1371207727 /nfs/dbraw/zinc/20/77/27/1371207727.db2.gz XRFRQYYAIIDTLR-HZPDHXFCSA-N 1 2 345.487 3.102 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2nc(CCCC)no2)C1 ZINC001208261287 1371688322 /nfs/dbraw/zinc/68/83/22/1371688322.db2.gz MFPPHXTVNTURMY-JKSUJKDBSA-N 1 2 348.491 3.410 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2csc(C3CC3)n2)C[C@H]1C ZINC001208309476 1371709713 /nfs/dbraw/zinc/70/97/13/1371709713.db2.gz MXYQTXRDFOSLKG-IUODEOHRSA-N 1 2 333.501 3.169 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2csc(C3CC3)n2)C[C@H]1C ZINC001208309476 1371709719 /nfs/dbraw/zinc/70/97/19/1371709719.db2.gz MXYQTXRDFOSLKG-IUODEOHRSA-N 1 2 333.501 3.169 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ncoc2C(C)C)C[C@H]1C ZINC001208389040 1371748032 /nfs/dbraw/zinc/74/80/32/1371748032.db2.gz XTBNRYVUSAHVFB-BZUAXINKSA-N 1 2 333.476 3.337 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ncoc2C(C)C)C[C@H]1C ZINC001208389040 1371748034 /nfs/dbraw/zinc/74/80/34/1371748034.db2.gz XTBNRYVUSAHVFB-BZUAXINKSA-N 1 2 333.476 3.337 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ncc(C)o3)C[C@H]2C)CCC1 ZINC001208517239 1371797451 /nfs/dbraw/zinc/79/74/51/1371797451.db2.gz FGGZRVQGZCMMJO-FVQBIDKESA-N 1 2 331.460 3.227 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3ncc(C)o3)C[C@H]2C)CCC1 ZINC001208517239 1371797460 /nfs/dbraw/zinc/79/74/60/1371797460.db2.gz FGGZRVQGZCMMJO-FVQBIDKESA-N 1 2 331.460 3.227 20 30 EGEDLO N#Cc1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)c(F)c1Br ZINC001120895635 1371798490 /nfs/dbraw/zinc/79/84/90/1371798490.db2.gz GLCFUQZNBQIXCF-GFCCVEGCSA-N 1 2 349.207 3.498 20 30 EGEDLO C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001121144925 1371866308 /nfs/dbraw/zinc/86/63/08/1371866308.db2.gz QBWBVNNMJUNWHL-FYQDJAPYSA-N 1 2 336.373 3.259 20 30 EGEDLO C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)C(F)C(F)(F)F)C2)C1 ZINC001121144925 1371866302 /nfs/dbraw/zinc/86/63/02/1371866302.db2.gz QBWBVNNMJUNWHL-FYQDJAPYSA-N 1 2 336.373 3.259 20 30 EGEDLO C#CCN(c1nnc([C@@H]2CCCC[N@@H+]2C)n1C)[C@H]1CCc2ccccc21 ZINC001121500219 1371992609 /nfs/dbraw/zinc/99/26/09/1371992609.db2.gz PHRHNABBQVWBKB-OALUTQOASA-N 1 2 349.482 3.099 20 30 EGEDLO C#CCN(c1nnc([C@@H]2CCCC[N@H+]2C)n1C)[C@H]1CCc2ccccc21 ZINC001121500219 1371992612 /nfs/dbraw/zinc/99/26/12/1371992612.db2.gz PHRHNABBQVWBKB-OALUTQOASA-N 1 2 349.482 3.099 20 30 EGEDLO C#CCN(c1nnc([C@H]2CCCC[N@@H+]2C)n1C)[C@H]1CCc2ccccc21 ZINC001121500220 1371993016 /nfs/dbraw/zinc/99/30/16/1371993016.db2.gz PHRHNABBQVWBKB-RBUKOAKNSA-N 1 2 349.482 3.099 20 30 EGEDLO C#CCN(c1nnc([C@H]2CCCC[N@H+]2C)n1C)[C@H]1CCc2ccccc21 ZINC001121500220 1371993020 /nfs/dbraw/zinc/99/30/20/1371993020.db2.gz PHRHNABBQVWBKB-RBUKOAKNSA-N 1 2 349.482 3.099 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1ccoc1C ZINC001121509389 1371995294 /nfs/dbraw/zinc/99/52/94/1371995294.db2.gz HVJFJZJIMLIMRO-INIZCTEOSA-N 1 2 329.448 3.159 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)Cc1ccoc1C ZINC001121509389 1371995296 /nfs/dbraw/zinc/99/52/96/1371995296.db2.gz HVJFJZJIMLIMRO-INIZCTEOSA-N 1 2 329.448 3.159 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2nc(CCCC)no2)C1 ZINC001209146757 1372013934 /nfs/dbraw/zinc/01/39/34/1372013934.db2.gz QJDKHJRXYJVGCR-HZPDHXFCSA-N 1 2 348.491 3.095 20 30 EGEDLO CC(C)(C)C#CC(=O)N1CC[C@H]2C[N@H+](Cc3c(F)cccc3F)C[C@H]21 ZINC001187832884 1388174116 /nfs/dbraw/zinc/17/41/16/1388174116.db2.gz DHKMEWAYMAMVNO-KBXCAEBGSA-N 1 2 346.421 3.047 20 30 EGEDLO CC(C)(C)C#CC(=O)N1CC[C@H]2C[N@@H+](Cc3c(F)cccc3F)C[C@H]21 ZINC001187832884 1388174121 /nfs/dbraw/zinc/17/41/21/1388174121.db2.gz DHKMEWAYMAMVNO-KBXCAEBGSA-N 1 2 346.421 3.047 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(F)c3Cl)C[C@H]21 ZINC001187840294 1388175241 /nfs/dbraw/zinc/17/52/41/1388175241.db2.gz DDADDGIVPFFIBL-WMLDXEAASA-N 1 2 348.849 3.171 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(F)c3Cl)C[C@H]21 ZINC001187840294 1388175243 /nfs/dbraw/zinc/17/52/43/1388175243.db2.gz DDADDGIVPFFIBL-WMLDXEAASA-N 1 2 348.849 3.171 20 30 EGEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC(C)(C)C[C@@H]1C ZINC001121801569 1372085555 /nfs/dbraw/zinc/08/55/55/1372085555.db2.gz RKTYLOKPUAMGTL-HNNXBMFYSA-N 1 2 344.507 3.016 20 30 EGEDLO C=CC1(CC(=O)N[C@@H]2C[N@@H+](Cc3nocc3C)C[C@H]2C)CCCCC1 ZINC001209406550 1372096600 /nfs/dbraw/zinc/09/66/00/1372096600.db2.gz OFHIIKHHZSCOOK-NVXWUHKLSA-N 1 2 345.487 3.446 20 30 EGEDLO C=CC1(CC(=O)N[C@@H]2C[N@H+](Cc3nocc3C)C[C@H]2C)CCCCC1 ZINC001209406550 1372096605 /nfs/dbraw/zinc/09/66/05/1372096605.db2.gz OFHIIKHHZSCOOK-NVXWUHKLSA-N 1 2 345.487 3.446 20 30 EGEDLO C=CCCCCC[N@H+](CCNC(=O)OC(C)(C)C)CC(=O)OCC ZINC001209428225 1372104108 /nfs/dbraw/zinc/10/41/08/1372104108.db2.gz CDPPURKVFIFMBM-UHFFFAOYSA-N 1 2 342.480 3.123 20 30 EGEDLO C=CCCCCC[N@@H+](CCNC(=O)OC(C)(C)C)CC(=O)OCC ZINC001209428225 1372104109 /nfs/dbraw/zinc/10/41/09/1372104109.db2.gz CDPPURKVFIFMBM-UHFFFAOYSA-N 1 2 342.480 3.123 20 30 EGEDLO CC(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001209807207 1372203357 /nfs/dbraw/zinc/20/33/57/1372203357.db2.gz CZRKUHHHFSPIIA-QMTMVMCOSA-N 1 2 345.462 3.316 20 30 EGEDLO CC(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001209807207 1372203359 /nfs/dbraw/zinc/20/33/59/1372203359.db2.gz CZRKUHHHFSPIIA-QMTMVMCOSA-N 1 2 345.462 3.316 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCc2sccc2C1 ZINC001122529360 1372267734 /nfs/dbraw/zinc/26/77/34/1372267734.db2.gz AVCHYPNHORSNBB-HNNXBMFYSA-N 1 2 343.500 3.245 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCc2sccc2C1 ZINC001122529360 1372267736 /nfs/dbraw/zinc/26/77/36/1372267736.db2.gz AVCHYPNHORSNBB-HNNXBMFYSA-N 1 2 343.500 3.245 20 30 EGEDLO CC(C)Oc1c(Cl)cc(CN2CC[NH2+]C[C@H]2C#N)cc1Cl ZINC001210123039 1372276072 /nfs/dbraw/zinc/27/60/72/1372276072.db2.gz XXXZPVFKNXUZBX-GFCCVEGCSA-N 1 2 328.243 3.078 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCSC(C)(C)C1 ZINC001122623648 1372285697 /nfs/dbraw/zinc/28/56/97/1372285697.db2.gz YBISLUUYDVKDKQ-OAHLLOKOSA-N 1 2 349.548 3.343 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCSC(C)(C)C1 ZINC001122623648 1372285701 /nfs/dbraw/zinc/28/57/01/1372285701.db2.gz YBISLUUYDVKDKQ-OAHLLOKOSA-N 1 2 349.548 3.343 20 30 EGEDLO C=C(C)CCC(=O)N[C@]12CCC[C@@H]1N(c1cc(C)[nH+]c(CC)n1)CC2 ZINC001123451288 1372473919 /nfs/dbraw/zinc/47/39/19/1372473919.db2.gz JZJGBWKRXCVCKA-JXFKEZNVSA-N 1 2 342.487 3.321 20 30 EGEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1N(c1nc(C)[nH+]c(C)c1C)CC2 ZINC001123459939 1372477323 /nfs/dbraw/zinc/47/73/23/1372477323.db2.gz PIEZIYYXCRCAGO-XLIONFOSSA-N 1 2 342.487 3.376 20 30 EGEDLO C#CCCCC(=O)N1C[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C(C)(C)C1 ZINC001123947041 1372634807 /nfs/dbraw/zinc/63/48/07/1372634807.db2.gz MKOCWIGNHABKES-INIZCTEOSA-N 1 2 342.487 3.361 20 30 EGEDLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc(OCC#N)cc1 ZINC001212607971 1372736719 /nfs/dbraw/zinc/73/67/19/1372736719.db2.gz JILUXTYKSNGDJP-UHFFFAOYSA-N 1 2 349.394 3.484 20 30 EGEDLO Cc1cc(N(C)CCN(C(=O)C#CC(C)C)C(C)C)nc(C(C)C)[nH+]1 ZINC001125504926 1372797636 /nfs/dbraw/zinc/79/76/36/1372797636.db2.gz SBCJLCWFGPBMTF-UHFFFAOYSA-N 1 2 344.503 3.241 20 30 EGEDLO CCOC(=O)c1cc(C#N)c(Nc2cccc3[nH+]c[nH]c32)c(C)c1O ZINC001213032759 1372824015 /nfs/dbraw/zinc/82/40/15/1372824015.db2.gz WSKJTLOSKNVZFQ-UHFFFAOYSA-N 1 2 336.351 3.369 20 30 EGEDLO Cc1cc(NC[C@@H](NC(=O)C#CC2CC2)C(C)(C)C)nc(C2CC2)[nH+]1 ZINC001125902539 1372885733 /nfs/dbraw/zinc/88/57/33/1372885733.db2.gz BQEOOWHSWGSPIM-MRXNPFEDSA-N 1 2 340.471 3.019 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2sccc2Cl)C[C@H]1OC ZINC001213350124 1372888535 /nfs/dbraw/zinc/88/85/35/1372888535.db2.gz ILTYHVSYAKLSQA-ZIAGYGMSSA-N 1 2 342.892 3.073 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2sccc2Cl)C[C@H]1OC ZINC001213350124 1372888538 /nfs/dbraw/zinc/88/85/38/1372888538.db2.gz ILTYHVSYAKLSQA-ZIAGYGMSSA-N 1 2 342.892 3.073 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C(C)C)o3)C[C@H]21 ZINC001188086894 1388239698 /nfs/dbraw/zinc/23/96/98/1388239698.db2.gz FGZYXYIQWAWPEX-JKSUJKDBSA-N 1 2 331.460 3.187 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C(C)C)o3)C[C@H]21 ZINC001188086894 1388239701 /nfs/dbraw/zinc/23/97/01/1388239701.db2.gz FGZYXYIQWAWPEX-JKSUJKDBSA-N 1 2 331.460 3.187 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2nc(C3CC3)no2)C1 ZINC001214732279 1373111752 /nfs/dbraw/zinc/11/17/52/1373111752.db2.gz SUXGFQGDUXWTIB-UMVBOHGHSA-N 1 2 346.475 3.047 20 30 EGEDLO C=C(C)CCC(=O)NCC1=CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001127704897 1373164972 /nfs/dbraw/zinc/16/49/72/1373164972.db2.gz ZJUCTKIAOYLTPR-UHFFFAOYSA-N 1 2 340.471 3.271 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001127740580 1373171976 /nfs/dbraw/zinc/17/19/76/1373171976.db2.gz JXIFRAFHFNLSBB-QGZVFWFLSA-N 1 2 342.487 3.257 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H](C)CC)c2C1 ZINC001128203567 1373234428 /nfs/dbraw/zinc/23/44/28/1373234428.db2.gz YSFBFLFEBJPCHA-INIZCTEOSA-N 1 2 332.492 3.107 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@@H](C)CC)c2C1 ZINC001128203567 1373234429 /nfs/dbraw/zinc/23/44/29/1373234429.db2.gz YSFBFLFEBJPCHA-INIZCTEOSA-N 1 2 332.492 3.107 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H](CC)CCCC)c2C1 ZINC001128228834 1373237983 /nfs/dbraw/zinc/23/79/83/1373237983.db2.gz XGNJWPXHTMFBML-MRXNPFEDSA-N 1 2 332.492 3.107 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H](CC)CCCC)c2C1 ZINC001128228834 1373237987 /nfs/dbraw/zinc/23/79/87/1373237987.db2.gz XGNJWPXHTMFBML-MRXNPFEDSA-N 1 2 332.492 3.107 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)CCCC(C)(C)C)c2C1 ZINC001128259444 1373242272 /nfs/dbraw/zinc/24/22/72/1373242272.db2.gz DFKNUJCPGVYDQC-UHFFFAOYSA-N 1 2 332.492 3.107 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)CCCC(C)(C)C)c2C1 ZINC001128259444 1373242273 /nfs/dbraw/zinc/24/22/73/1373242273.db2.gz DFKNUJCPGVYDQC-UHFFFAOYSA-N 1 2 332.492 3.107 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@](C)(CC)CCC)c2C1 ZINC001128529734 1373284212 /nfs/dbraw/zinc/28/42/12/1373284212.db2.gz GUVPJTICNQBCQJ-LJQANCHMSA-N 1 2 332.492 3.107 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@](C)(CC)CCC)c2C1 ZINC001128529734 1373284214 /nfs/dbraw/zinc/28/42/14/1373284214.db2.gz GUVPJTICNQBCQJ-LJQANCHMSA-N 1 2 332.492 3.107 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H](CC)CCCCC)c2C1 ZINC001128587420 1373295049 /nfs/dbraw/zinc/29/50/49/1373295049.db2.gz ZWSVMEQOVYYZPR-KRWDZBQOSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H](CC)CCCCC)c2C1 ZINC001128587420 1373295053 /nfs/dbraw/zinc/29/50/53/1373295053.db2.gz ZWSVMEQOVYYZPR-KRWDZBQOSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCCC(=O)N1CCC(n2ncc3c2C[N@H+](C[C@H](C)CC)C3)CC1 ZINC001130163968 1373466560 /nfs/dbraw/zinc/46/65/60/1373466560.db2.gz ZVQIKDMPKHBNHR-MRXNPFEDSA-N 1 2 344.503 3.375 20 30 EGEDLO C=CCCC(=O)N1CCC(n2ncc3c2C[N@@H+](C[C@H](C)CC)C3)CC1 ZINC001130163968 1373466563 /nfs/dbraw/zinc/46/65/63/1373466563.db2.gz ZVQIKDMPKHBNHR-MRXNPFEDSA-N 1 2 344.503 3.375 20 30 EGEDLO C=C(C)CCC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccccc3Cl)C[C@@H]21 ZINC001218038307 1373544730 /nfs/dbraw/zinc/54/47/30/1373544730.db2.gz YQNONZMRCFSGCK-ZWKOTPCHSA-N 1 2 348.874 3.108 20 30 EGEDLO C=C(C)CCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccccc3Cl)C[C@@H]21 ZINC001218038307 1373544735 /nfs/dbraw/zinc/54/47/35/1373544735.db2.gz YQNONZMRCFSGCK-ZWKOTPCHSA-N 1 2 348.874 3.108 20 30 EGEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCCCCCCCCC)[C@H]2C1 ZINC001219006755 1373678888 /nfs/dbraw/zinc/67/88/88/1373678888.db2.gz VUQKMRZUNHKPJH-RBUKOAKNSA-N 1 2 334.504 3.062 20 30 EGEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCCCCCCCCC)[C@H]2C1 ZINC001219006755 1373678890 /nfs/dbraw/zinc/67/88/90/1373678890.db2.gz VUQKMRZUNHKPJH-RBUKOAKNSA-N 1 2 334.504 3.062 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)CC(CC)CC)C[C@H](C)O2 ZINC001131693111 1373766383 /nfs/dbraw/zinc/76/63/83/1373766383.db2.gz MQWZWNBHUBTPJY-YJBOKZPZSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CC(CC)CC)C[C@H](C)O2 ZINC001131693111 1373766384 /nfs/dbraw/zinc/76/63/84/1373766384.db2.gz MQWZWNBHUBTPJY-YJBOKZPZSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)CCCCC)CC[C@@H]1C ZINC001131825949 1373825596 /nfs/dbraw/zinc/82/55/96/1373825596.db2.gz MOXSWBFDUCPENV-KBPBESRZSA-N 1 2 331.298 3.444 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)CCCCC)CC[C@@H]1C ZINC001131825949 1373825600 /nfs/dbraw/zinc/82/56/00/1373825600.db2.gz MOXSWBFDUCPENV-KBPBESRZSA-N 1 2 331.298 3.444 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccncc2Cl)C1 ZINC001132002126 1375092738 /nfs/dbraw/zinc/09/27/38/1375092738.db2.gz HDQFRPOZPDMWKR-GOEBONIOSA-N 1 2 333.863 3.008 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccncc2Cl)C1 ZINC001132002126 1375092740 /nfs/dbraw/zinc/09/27/40/1375092740.db2.gz HDQFRPOZPDMWKR-GOEBONIOSA-N 1 2 333.863 3.008 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001132001712 1375092765 /nfs/dbraw/zinc/09/27/65/1375092765.db2.gz CCWUTAKNAVTJKH-GOEBONIOSA-N 1 2 348.874 3.318 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC001132001712 1375092769 /nfs/dbraw/zinc/09/27/69/1375092769.db2.gz CCWUTAKNAVTJKH-GOEBONIOSA-N 1 2 348.874 3.318 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2ccc3c(c2)CCC3=O)C1 ZINC001225362357 1375106313 /nfs/dbraw/zinc/10/63/13/1375106313.db2.gz IFZYCCCGVMNUKS-LJQANCHMSA-N 1 2 332.403 3.340 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccc3c(c2)CCC3=O)C1 ZINC001225362357 1375106318 /nfs/dbraw/zinc/10/63/18/1375106318.db2.gz IFZYCCCGVMNUKS-LJQANCHMSA-N 1 2 332.403 3.340 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1cc(F)cc(F)c1 ZINC001132033495 1375108811 /nfs/dbraw/zinc/10/88/11/1375108811.db2.gz GZLDWPDREGDVQR-KDOFPFPSSA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1cc(F)cc(F)c1 ZINC001132033495 1375108814 /nfs/dbraw/zinc/10/88/14/1375108814.db2.gz GZLDWPDREGDVQR-KDOFPFPSSA-N 1 2 348.437 3.483 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2nocc2C)C1 ZINC001132078592 1375135098 /nfs/dbraw/zinc/13/50/98/1375135098.db2.gz MRFWYBBDGINERX-TZMCWYRMSA-N 1 2 339.867 3.231 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2nocc2C)C1 ZINC001132078592 1375135100 /nfs/dbraw/zinc/13/51/00/1375135100.db2.gz MRFWYBBDGINERX-TZMCWYRMSA-N 1 2 339.867 3.231 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2nocc2C)C1 ZINC001132078589 1375135211 /nfs/dbraw/zinc/13/52/11/1375135211.db2.gz MRFWYBBDGINERX-GXTWGEPZSA-N 1 2 339.867 3.231 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2nocc2C)C1 ZINC001132078589 1375135213 /nfs/dbraw/zinc/13/52/13/1375135213.db2.gz MRFWYBBDGINERX-GXTWGEPZSA-N 1 2 339.867 3.231 20 30 EGEDLO C#CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC=C(Cl)Cl)C2)CCC1 ZINC001132100970 1375147809 /nfs/dbraw/zinc/14/78/09/1375147809.db2.gz DWTMZPPTGHNOHU-ZIAGYGMSSA-N 1 2 343.298 3.468 20 30 EGEDLO C#CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC=C(Cl)Cl)C2)CCC1 ZINC001132100970 1375147813 /nfs/dbraw/zinc/14/78/13/1375147813.db2.gz DWTMZPPTGHNOHU-ZIAGYGMSSA-N 1 2 343.298 3.468 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ncoc2C(C)C)C1 ZINC001132217703 1375214425 /nfs/dbraw/zinc/21/44/25/1375214425.db2.gz GAWKHMJPBJPFLO-HUUCEWRRSA-N 1 2 333.476 3.479 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001132217703 1375214427 /nfs/dbraw/zinc/21/44/27/1375214427.db2.gz GAWKHMJPBJPFLO-HUUCEWRRSA-N 1 2 333.476 3.479 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001132215413 1375214512 /nfs/dbraw/zinc/21/45/12/1375214512.db2.gz XFXUECSWKXEAKJ-CZUORRHYSA-N 1 2 333.476 3.363 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001132215413 1375214518 /nfs/dbraw/zinc/21/45/18/1375214518.db2.gz XFXUECSWKXEAKJ-CZUORRHYSA-N 1 2 333.476 3.363 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)CCCC2CC2)CC[C@H]1C ZINC001132245679 1375239584 /nfs/dbraw/zinc/23/95/84/1375239584.db2.gz NZUVXXKODXNIFS-HIFRSBDPSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)CCCC2CC2)CC[C@H]1C ZINC001132245679 1375239595 /nfs/dbraw/zinc/23/95/95/1375239595.db2.gz NZUVXXKODXNIFS-HIFRSBDPSA-N 1 2 343.309 3.444 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3cncc(F)c3)C2)CC1 ZINC001132291562 1375273002 /nfs/dbraw/zinc/27/30/02/1375273002.db2.gz KXVHJOQOACPXPS-CRAIPNDOSA-N 1 2 345.462 3.436 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3cncc(F)c3)C2)CC1 ZINC001132291562 1375273009 /nfs/dbraw/zinc/27/30/09/1375273009.db2.gz KXVHJOQOACPXPS-CRAIPNDOSA-N 1 2 345.462 3.436 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)CCC2(C)CC2)CC[C@@H]1C ZINC001132397811 1375352657 /nfs/dbraw/zinc/35/26/57/1375352657.db2.gz WVCIVYRXTIWREC-UONOGXRCSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)CCC2(C)CC2)CC[C@@H]1C ZINC001132397811 1375352659 /nfs/dbraw/zinc/35/26/59/1375352659.db2.gz WVCIVYRXTIWREC-UONOGXRCSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)COc2cccc(C)c2)CC[C@H]1C ZINC001132486039 1375419646 /nfs/dbraw/zinc/41/96/46/1375419646.db2.gz LAOSNQZXDRMFGL-CVEARBPZSA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)COc2cccc(C)c2)CC[C@H]1C ZINC001132486039 1375419653 /nfs/dbraw/zinc/41/96/53/1375419653.db2.gz LAOSNQZXDRMFGL-CVEARBPZSA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC#Cc2ccccc2)CC[C@@H]1C ZINC001132508500 1375431773 /nfs/dbraw/zinc/43/17/73/1375431773.db2.gz LAXWOUUDFWTGCE-FUHWJXTLSA-N 1 2 330.859 3.150 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC#Cc2ccccc2)CC[C@@H]1C ZINC001132508500 1375431775 /nfs/dbraw/zinc/43/17/75/1375431775.db2.gz LAXWOUUDFWTGCE-FUHWJXTLSA-N 1 2 330.859 3.150 20 30 EGEDLO CCCCOCc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c(OC)c1 ZINC001227499022 1375438545 /nfs/dbraw/zinc/43/85/45/1375438545.db2.gz SVLKYXDYFYZQQD-DAQCULIYSA-N 1 2 347.455 3.003 20 30 EGEDLO CCCCOCc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c(OC)c1 ZINC001227499022 1375438549 /nfs/dbraw/zinc/43/85/49/1375438549.db2.gz SVLKYXDYFYZQQD-DAQCULIYSA-N 1 2 347.455 3.003 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC(F)(F)C(F)(F)F)CC[C@@H]1C ZINC001132542107 1375450243 /nfs/dbraw/zinc/45/02/43/1375450243.db2.gz NXPFIVWOIJUARC-VHSXEESVSA-N 1 2 348.743 3.296 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC(F)(F)C(F)(F)F)CC[C@@H]1C ZINC001132542107 1375450246 /nfs/dbraw/zinc/45/02/46/1375450246.db2.gz NXPFIVWOIJUARC-VHSXEESVSA-N 1 2 348.743 3.296 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC001228786785 1375676419 /nfs/dbraw/zinc/67/64/19/1375676419.db2.gz QHZBSZJGXDBJQF-GFCCVEGCSA-N 1 2 341.908 3.479 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC1CC[NH+](Cc2ccn(C(C)C)n2)CC1 ZINC001228808696 1375682850 /nfs/dbraw/zinc/68/28/50/1375682850.db2.gz AFBOZKUHOZWECB-MRXNPFEDSA-N 1 2 332.492 3.147 20 30 EGEDLO C=CCCCC(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001228927821 1375718228 /nfs/dbraw/zinc/71/82/28/1375718228.db2.gz LKSSJTHGPNCJCX-UHFFFAOYSA-N 1 2 329.419 3.134 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001188903057 1388405456 /nfs/dbraw/zinc/40/54/56/1388405456.db2.gz FJJGRCKPFJOSOV-FBLKXBDISA-N 1 2 329.271 3.032 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001188903057 1388405459 /nfs/dbraw/zinc/40/54/59/1388405459.db2.gz FJJGRCKPFJOSOV-FBLKXBDISA-N 1 2 329.271 3.032 20 30 EGEDLO C[C@@H](Oc1cc(F)ccc1C#N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001230638742 1376113089 /nfs/dbraw/zinc/11/30/89/1376113089.db2.gz LEQRMOLFEIABPC-QRWLVFNGSA-N 1 2 340.398 3.366 20 30 EGEDLO C[C@@H](Oc1cc(F)ccc1C#N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001230638742 1376113091 /nfs/dbraw/zinc/11/30/91/1376113091.db2.gz LEQRMOLFEIABPC-QRWLVFNGSA-N 1 2 340.398 3.366 20 30 EGEDLO COc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)c(Br)cc1O ZINC001231474834 1376249055 /nfs/dbraw/zinc/24/90/55/1376249055.db2.gz IVVHRZJKOWIFBH-LLVKDONJSA-N 1 2 339.233 3.289 20 30 EGEDLO COc1cc(C[N@H+]2CCC[C@H](CC#N)C2)c(Br)cc1O ZINC001231474834 1376249069 /nfs/dbraw/zinc/24/90/69/1376249069.db2.gz IVVHRZJKOWIFBH-LLVKDONJSA-N 1 2 339.233 3.289 20 30 EGEDLO COc1ccc(C(=O)C2CC[NH+](Cc3cc(C#N)ccn3)CC2)cc1 ZINC001232477767 1376466708 /nfs/dbraw/zinc/46/67/08/1376466708.db2.gz DIUSLPNTMKWSEG-UHFFFAOYSA-N 1 2 335.407 3.057 20 30 EGEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc3ccc(Cl)cc3[nH]2)CC1 ZINC001232734742 1376509896 /nfs/dbraw/zinc/50/98/96/1376509896.db2.gz XNHSLRLDNVILLY-UHFFFAOYSA-N 1 2 331.803 3.100 20 30 EGEDLO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)c(C#N)c1 ZINC001232968356 1376550329 /nfs/dbraw/zinc/55/03/29/1376550329.db2.gz HIBOHYMXVXGTEQ-UHFFFAOYSA-N 1 2 333.435 3.215 20 30 EGEDLO Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)c(C#N)c1 ZINC001232968356 1376550333 /nfs/dbraw/zinc/55/03/33/1376550333.db2.gz HIBOHYMXVXGTEQ-UHFFFAOYSA-N 1 2 333.435 3.215 20 30 EGEDLO CO[C@H](CN1CC[NH+](Cc2ccc(C#N)cc2C)CC1)c1ccccc1 ZINC001233082471 1376568110 /nfs/dbraw/zinc/56/81/10/1376568110.db2.gz NGCYSOYZTIEZLH-JOCHJYFZSA-N 1 2 349.478 3.372 20 30 EGEDLO CC/C(C)=C\C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001234141436 1376777560 /nfs/dbraw/zinc/77/75/60/1376777560.db2.gz OPHQKGKUQKMBEC-DZXKJOIRSA-N 1 2 329.419 3.086 20 30 EGEDLO CC/C(C)=C\C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001234141436 1376777564 /nfs/dbraw/zinc/77/75/64/1376777564.db2.gz OPHQKGKUQKMBEC-DZXKJOIRSA-N 1 2 329.419 3.086 20 30 EGEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H]1CCc2c1c(F)ccc2F ZINC001234163092 1376781127 /nfs/dbraw/zinc/78/11/27/1376781127.db2.gz XPAANTZFVICYSQ-KSSFIOAISA-N 1 2 346.421 3.144 20 30 EGEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H]1CCc2c1c(F)ccc2F ZINC001234163092 1376781132 /nfs/dbraw/zinc/78/11/32/1376781132.db2.gz XPAANTZFVICYSQ-KSSFIOAISA-N 1 2 346.421 3.144 20 30 EGEDLO COc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2OC)cc1C#N ZINC001244710816 1377040001 /nfs/dbraw/zinc/04/00/01/1377040001.db2.gz NVGNCEMNRQNTHY-UHFFFAOYSA-N 1 2 338.407 3.075 20 30 EGEDLO COc1ccc(Cl)c(C[N@@H+]2CC[C@H](NC(=O)C#CC(C)(C)C)C2)c1 ZINC001266319080 1377271853 /nfs/dbraw/zinc/27/18/53/1377271853.db2.gz GQVJVPSHILATIV-HNNXBMFYSA-N 1 2 348.874 3.089 20 30 EGEDLO COc1ccc(Cl)c(C[N@H+]2CC[C@H](NC(=O)C#CC(C)(C)C)C2)c1 ZINC001266319080 1377271854 /nfs/dbraw/zinc/27/18/54/1377271854.db2.gz GQVJVPSHILATIV-HNNXBMFYSA-N 1 2 348.874 3.089 20 30 EGEDLO CCC[N@H+](CCC#N)Cc1cc2c(c(Br)c1)OCO2 ZINC001136846035 1377429302 /nfs/dbraw/zinc/42/93/02/1377429302.db2.gz MUWCJZNLPDYVLK-UHFFFAOYSA-N 1 2 325.206 3.303 20 30 EGEDLO CCC[N@@H+](CCC#N)Cc1cc2c(c(Br)c1)OCO2 ZINC001136846035 1377429303 /nfs/dbraw/zinc/42/93/03/1377429303.db2.gz MUWCJZNLPDYVLK-UHFFFAOYSA-N 1 2 325.206 3.303 20 30 EGEDLO N#Cc1cccc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)c1 ZINC001136956606 1377445578 /nfs/dbraw/zinc/44/55/78/1377445578.db2.gz YCILCYGOEVDKSC-UHFFFAOYSA-N 1 2 334.448 3.490 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1c(O)cccc1F)CCO2 ZINC001137835894 1377626014 /nfs/dbraw/zinc/62/60/14/1377626014.db2.gz QTRMILJFAGPFJC-HNAYVOBHSA-N 1 2 335.419 3.105 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1c(O)cccc1F)CCO2 ZINC001137835894 1377626017 /nfs/dbraw/zinc/62/60/17/1377626017.db2.gz QTRMILJFAGPFJC-HNAYVOBHSA-N 1 2 335.419 3.105 20 30 EGEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC001137905837 1377642583 /nfs/dbraw/zinc/64/25/83/1377642583.db2.gz FVJCLHAKCOITEJ-INIZCTEOSA-N 1 2 344.418 3.239 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(F)ccc(F)c1F)C2 ZINC001137929589 1377646313 /nfs/dbraw/zinc/64/63/13/1377646313.db2.gz VSERWSIIFJSIQN-ACJLOTCBSA-N 1 2 341.373 3.430 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1c(F)ccc(F)c1F)C2 ZINC001137929589 1377646317 /nfs/dbraw/zinc/64/63/17/1377646317.db2.gz VSERWSIIFJSIQN-ACJLOTCBSA-N 1 2 341.373 3.430 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc2occc2c1 ZINC001138822262 1377791347 /nfs/dbraw/zinc/79/13/47/1377791347.db2.gz YOFUSIFRSXMTTD-GOSISDBHSA-N 1 2 337.423 3.468 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc2occc2c1 ZINC001138822262 1377791349 /nfs/dbraw/zinc/79/13/49/1377791349.db2.gz YOFUSIFRSXMTTD-GOSISDBHSA-N 1 2 337.423 3.468 20 30 EGEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccccc3F)CC2)cc1F ZINC001139527269 1377897212 /nfs/dbraw/zinc/89/72/12/1377897212.db2.gz CYOXXDMGRLFIRV-UHFFFAOYSA-N 1 2 327.378 3.154 20 30 EGEDLO COc1cc(O[C@@H]2CC[N@H+](Cc3cccc(Cl)c3C#N)C2)ccn1 ZINC001139692785 1377936169 /nfs/dbraw/zinc/93/61/69/1377936169.db2.gz JCBTXKUKTRPYRL-OAHLLOKOSA-N 1 2 343.814 3.269 20 30 EGEDLO COc1cc(O[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3C#N)C2)ccn1 ZINC001139692785 1377936171 /nfs/dbraw/zinc/93/61/71/1377936171.db2.gz JCBTXKUKTRPYRL-OAHLLOKOSA-N 1 2 343.814 3.269 20 30 EGEDLO COc1cccc(O[C@H]2CC[N@H+](Cc3cccc(Cl)c3C#N)C2)n1 ZINC001139692769 1377936387 /nfs/dbraw/zinc/93/63/87/1377936387.db2.gz IGYJPQFRZDUQKG-AWEZNQCLSA-N 1 2 343.814 3.269 20 30 EGEDLO COc1cccc(O[C@H]2CC[N@@H+](Cc3cccc(Cl)c3C#N)C2)n1 ZINC001139692769 1377936388 /nfs/dbraw/zinc/93/63/88/1377936388.db2.gz IGYJPQFRZDUQKG-AWEZNQCLSA-N 1 2 343.814 3.269 20 30 EGEDLO N#Cc1cc(F)cc(CN2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)c1 ZINC001139879012 1377970551 /nfs/dbraw/zinc/97/05/51/1377970551.db2.gz DTZBZTRDCZQGAE-QGZVFWFLSA-N 1 2 337.389 3.393 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1c(O)cccc1Cl ZINC001140345379 1378050466 /nfs/dbraw/zinc/05/04/66/1378050466.db2.gz TXJKEWDIOJHBNC-MRXNPFEDSA-N 1 2 347.846 3.081 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1c(O)cccc1Cl ZINC001140345379 1378050468 /nfs/dbraw/zinc/05/04/68/1378050468.db2.gz TXJKEWDIOJHBNC-MRXNPFEDSA-N 1 2 347.846 3.081 20 30 EGEDLO Cc1ccc(Cl)nc1C[NH+]1CCN(c2cccc(C#N)c2)CC1 ZINC001140447144 1378064474 /nfs/dbraw/zinc/06/44/74/1378064474.db2.gz RMWBVKJCVQVYKN-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO COc1cccc([C@H]2CSCC[N@@H+]2Cc2ccc(C#N)nc2)c1 ZINC001140547625 1378083210 /nfs/dbraw/zinc/08/32/10/1378083210.db2.gz XOPOUGNCURBRDZ-GOSISDBHSA-N 1 2 325.437 3.252 20 30 EGEDLO COc1cccc([C@H]2CSCC[N@H+]2Cc2ccc(C#N)nc2)c1 ZINC001140547625 1378083212 /nfs/dbraw/zinc/08/32/12/1378083212.db2.gz XOPOUGNCURBRDZ-GOSISDBHSA-N 1 2 325.437 3.252 20 30 EGEDLO N#Cc1ccc(Cl)c(C[N@@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)c1 ZINC001140603872 1378096231 /nfs/dbraw/zinc/09/62/31/1378096231.db2.gz HAJJKXXMGVHLAB-MRXNPFEDSA-N 1 2 331.847 3.092 20 30 EGEDLO N#Cc1ccc(Cl)c(C[N@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)c1 ZINC001140603872 1378096233 /nfs/dbraw/zinc/09/62/33/1378096233.db2.gz HAJJKXXMGVHLAB-MRXNPFEDSA-N 1 2 331.847 3.092 20 30 EGEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1ccc(OC(F)F)c(O)c1)CC2 ZINC001140625431 1378101176 /nfs/dbraw/zinc/10/11/76/1378101176.db2.gz ZXNUXAVHIZWWQN-UHFFFAOYSA-N 1 2 330.334 3.424 20 30 EGEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccc(OC(F)F)c(O)c1)CC2 ZINC001140625431 1378101177 /nfs/dbraw/zinc/10/11/77/1378101177.db2.gz ZXNUXAVHIZWWQN-UHFFFAOYSA-N 1 2 330.334 3.424 20 30 EGEDLO COC(=O)[C@H]1C[N@H+](Cc2cccc(C#N)c2Cl)Cc2ccccc21 ZINC001140812553 1378148548 /nfs/dbraw/zinc/14/85/48/1378148548.db2.gz AOMYJQCVMNUONK-KRWDZBQOSA-N 1 2 340.810 3.484 20 30 EGEDLO COC(=O)[C@H]1C[N@@H+](Cc2cccc(C#N)c2Cl)Cc2ccccc21 ZINC001140812553 1378148552 /nfs/dbraw/zinc/14/85/52/1378148552.db2.gz AOMYJQCVMNUONK-KRWDZBQOSA-N 1 2 340.810 3.484 20 30 EGEDLO OC[C@H]1C[N@H+](Cc2cc(F)c(C(F)(F)F)c(F)c2)CCC1(F)F ZINC001140877737 1378167424 /nfs/dbraw/zinc/16/74/24/1378167424.db2.gz GWCFCRMRMWWPBM-SECBINFHSA-N 1 2 345.258 3.433 20 30 EGEDLO OC[C@H]1C[N@@H+](Cc2cc(F)c(C(F)(F)F)c(F)c2)CCC1(F)F ZINC001140877737 1378167428 /nfs/dbraw/zinc/16/74/28/1378167428.db2.gz GWCFCRMRMWWPBM-SECBINFHSA-N 1 2 345.258 3.433 20 30 EGEDLO Cc1cccc(O[C@H]2CCC[N@H+](Cc3ccc(F)cc3C#N)C2)n1 ZINC001141168593 1378259384 /nfs/dbraw/zinc/25/93/84/1378259384.db2.gz QKYKOFNNPFUYRJ-SFHVURJKSA-N 1 2 325.387 3.444 20 30 EGEDLO Cc1cccc(O[C@H]2CCC[N@@H+](Cc3ccc(F)cc3C#N)C2)n1 ZINC001141168593 1378259385 /nfs/dbraw/zinc/25/93/85/1378259385.db2.gz QKYKOFNNPFUYRJ-SFHVURJKSA-N 1 2 325.387 3.444 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001141810381 1378381153 /nfs/dbraw/zinc/38/11/53/1378381153.db2.gz WISIDONOYVNYBA-YPMHNXCESA-N 1 2 327.172 3.408 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001141810381 1378381155 /nfs/dbraw/zinc/38/11/55/1378381155.db2.gz WISIDONOYVNYBA-YPMHNXCESA-N 1 2 327.172 3.408 20 30 EGEDLO CSc1nc(C[NH+]2CCN(c3ccccc3C)CC2)ccc1C#N ZINC001141929552 1378395919 /nfs/dbraw/zinc/39/59/19/1378395919.db2.gz XBZGTEYFKZSKJL-UHFFFAOYSA-N 1 2 338.480 3.306 20 30 EGEDLO CC(C)C(=O)N1CCC[C@@]12CC[N@H+](Cc1c(F)ccc(C#N)c1F)C2 ZINC001143170462 1378553508 /nfs/dbraw/zinc/55/35/08/1378553508.db2.gz GODYNUYRUACGFR-IBGZPJMESA-N 1 2 347.409 3.059 20 30 EGEDLO CC(C)C(=O)N1CCC[C@@]12CC[N@@H+](Cc1c(F)ccc(C#N)c1F)C2 ZINC001143170462 1378553512 /nfs/dbraw/zinc/55/35/12/1378553512.db2.gz GODYNUYRUACGFR-IBGZPJMESA-N 1 2 347.409 3.059 20 30 EGEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cc(C)cc(F)c1)CC2 ZINC001143586997 1378621918 /nfs/dbraw/zinc/62/19/18/1378621918.db2.gz CYZUMCNYPMFHNJ-UHFFFAOYSA-N 1 2 329.419 3.129 20 30 EGEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cc(C)cc(F)c1)CC2 ZINC001143586997 1378621919 /nfs/dbraw/zinc/62/19/19/1378621919.db2.gz CYZUMCNYPMFHNJ-UHFFFAOYSA-N 1 2 329.419 3.129 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C\Cl)C2 ZINC001148363989 1379157259 /nfs/dbraw/zinc/15/72/59/1379157259.db2.gz RKQJEKVNMPXTOV-MDWZMJQESA-N 1 2 331.287 3.442 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@@H+](C/C(Cl)=C\Cl)C2 ZINC001148363989 1379157265 /nfs/dbraw/zinc/15/72/65/1379157265.db2.gz RKQJEKVNMPXTOV-MDWZMJQESA-N 1 2 331.287 3.442 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ccn(C(C)C)n1)C2 ZINC001148370562 1379157712 /nfs/dbraw/zinc/15/77/12/1379157712.db2.gz BGUWXNXKAGOZJD-UHFFFAOYSA-N 1 2 344.503 3.101 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@H+](Cc1ccn(C(C)C)n1)C2 ZINC001148370562 1379157717 /nfs/dbraw/zinc/15/77/17/1379157717.db2.gz BGUWXNXKAGOZJD-UHFFFAOYSA-N 1 2 344.503 3.101 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C2(C)CCCCCC2)C1 ZINC001149847140 1379455067 /nfs/dbraw/zinc/45/50/67/1379455067.db2.gz AMDRRJKCHPXINL-MRXNPFEDSA-N 1 2 342.911 3.307 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C2(C)CCCCCC2)C1 ZINC001149847140 1379455069 /nfs/dbraw/zinc/45/50/69/1379455069.db2.gz AMDRRJKCHPXINL-MRXNPFEDSA-N 1 2 342.911 3.307 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)CCC(C)C)[C@@H]1C ZINC001284101969 1379472873 /nfs/dbraw/zinc/47/28/73/1379472873.db2.gz LYKOQYKKACOGSM-UONOGXRCSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)CCC(C)C)[C@@H]1C ZINC001284101969 1379472874 /nfs/dbraw/zinc/47/28/74/1379472874.db2.gz LYKOQYKKACOGSM-UONOGXRCSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCCC2CCOCC2)[C@@H]1C ZINC001284129543 1379507478 /nfs/dbraw/zinc/50/74/78/1379507478.db2.gz RQOWWHUUOCEPFE-RDJZCZTQSA-N 1 2 342.911 3.305 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCCC2CCOCC2)[C@@H]1C ZINC001284129543 1379507483 /nfs/dbraw/zinc/50/74/83/1379507483.db2.gz RQOWWHUUOCEPFE-RDJZCZTQSA-N 1 2 342.911 3.305 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@](C)(CC)CCC)C1 ZINC001150508826 1379559865 /nfs/dbraw/zinc/55/98/65/1379559865.db2.gz XBFHCUYPPYFOGX-RDJZCZTQSA-N 1 2 330.900 3.162 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@](C)(CC)CCC)C1 ZINC001150508826 1379559863 /nfs/dbraw/zinc/55/98/63/1379559863.db2.gz XBFHCUYPPYFOGX-RDJZCZTQSA-N 1 2 330.900 3.162 20 30 EGEDLO CCC(CC)C(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(F)ccc1C#N ZINC001151981163 1379830776 /nfs/dbraw/zinc/83/07/76/1379830776.db2.gz SWXNBDYVNYULDR-CQSZACIVSA-N 1 2 333.451 3.460 20 30 EGEDLO CCC(CC)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(F)ccc1C#N ZINC001151981163 1379830780 /nfs/dbraw/zinc/83/07/80/1379830780.db2.gz SWXNBDYVNYULDR-CQSZACIVSA-N 1 2 333.451 3.460 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)/C=C(/C)C1CC1 ZINC001152129288 1379869566 /nfs/dbraw/zinc/86/95/66/1379869566.db2.gz UDOSJVPZRMBLID-KQGZCTBQSA-N 1 2 343.446 3.380 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)/C=C(/C)C1CC1 ZINC001152129288 1379869569 /nfs/dbraw/zinc/86/95/69/1379869569.db2.gz UDOSJVPZRMBLID-KQGZCTBQSA-N 1 2 343.446 3.380 20 30 EGEDLO C=CCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccn(-c2ccccc2)n1 ZINC001152313897 1379905429 /nfs/dbraw/zinc/90/54/29/1379905429.db2.gz YVTBSVJUHQFJTH-QGZVFWFLSA-N 1 2 340.471 3.165 20 30 EGEDLO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccn(-c2ccccc2)n1 ZINC001152313897 1379905434 /nfs/dbraw/zinc/90/54/34/1379905434.db2.gz YVTBSVJUHQFJTH-QGZVFWFLSA-N 1 2 340.471 3.165 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1noc2c1CCCC2 ZINC001154743194 1380344014 /nfs/dbraw/zinc/34/40/14/1380344014.db2.gz VYBJSEUQJCBJTM-HZPDHXFCSA-N 1 2 347.503 3.482 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1noc2c1CCCC2 ZINC001154743194 1380344015 /nfs/dbraw/zinc/34/40/15/1380344015.db2.gz VYBJSEUQJCBJTM-HZPDHXFCSA-N 1 2 347.503 3.482 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C1(C)CC=CC1 ZINC001155005761 1380389162 /nfs/dbraw/zinc/38/91/62/1380389162.db2.gz QUIXGOVQQMEXDB-OAHLLOKOSA-N 1 2 343.446 3.380 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C1(C)CC=CC1 ZINC001155005761 1380389163 /nfs/dbraw/zinc/38/91/63/1380389163.db2.gz QUIXGOVQQMEXDB-OAHLLOKOSA-N 1 2 343.446 3.380 20 30 EGEDLO N=C(Nc1[nH+][nH]c(Cl)c2ncnc1-2)c1ccc(C(F)(F)F)cc1 ZINC001155851109 1380498672 /nfs/dbraw/zinc/49/86/72/1380498672.db2.gz CLCFAOSBSBJMMJ-UHFFFAOYSA-N 1 2 340.696 3.062 20 30 EGEDLO C[NH+](C)Cc1nc(CSCCNc2cc(CC#N)ccn2)cs1 ZINC001157336668 1380844761 /nfs/dbraw/zinc/84/47/61/1380844761.db2.gz NLPIXQLVWYWUGB-UHFFFAOYSA-N 1 2 347.513 3.011 20 30 EGEDLO CN(C)Cc1nc(CSCCNc2cc(CC#N)cc[nH+]2)cs1 ZINC001157336668 1380844766 /nfs/dbraw/zinc/84/47/66/1380844766.db2.gz NLPIXQLVWYWUGB-UHFFFAOYSA-N 1 2 347.513 3.011 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@H](C)c1nnc(CC)o1 ZINC001158011771 1381101910 /nfs/dbraw/zinc/10/19/10/1381101910.db2.gz OQFCIPAMEDKGCQ-HZPDHXFCSA-N 1 2 348.491 3.362 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@H](C)c1nnc(CC)o1 ZINC001158011771 1381101913 /nfs/dbraw/zinc/10/19/13/1381101913.db2.gz OQFCIPAMEDKGCQ-HZPDHXFCSA-N 1 2 348.491 3.362 20 30 EGEDLO C[NH+](C)C=Cc1cc(NC2=CC(=O)CC(C)(C)C2)ncc1[N+](=O)[O-] ZINC001158953563 1381482734 /nfs/dbraw/zinc/48/27/34/1381482734.db2.gz GBGKXNVAYHTHOR-AATRIKPKSA-N 1 2 330.388 3.207 20 30 EGEDLO COC(=O)[C@H]1CCN(c2[nH+]c(C)ccc2CC#N)[C@H]1c1ccccc1 ZINC001158954887 1381484484 /nfs/dbraw/zinc/48/44/84/1381484484.db2.gz YJTVGJPJJGUUSD-ROUUACIJSA-N 1 2 335.407 3.197 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CC=C(CCNC(=O)C2CCC2)CC1 ZINC001159089888 1381574606 /nfs/dbraw/zinc/57/46/06/1381574606.db2.gz XTCDMBNJSZAHGJ-UHFFFAOYSA-N 1 2 341.430 3.136 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC=C(CCNC(=O)C2CCC2)CC1 ZINC001159089888 1381574613 /nfs/dbraw/zinc/57/46/13/1381574613.db2.gz XTCDMBNJSZAHGJ-UHFFFAOYSA-N 1 2 341.430 3.136 20 30 EGEDLO N#Cc1ccc(Nc2ccc(O[C@H]3CC[NH2+]CC3(F)F)cc2)cn1 ZINC001160348683 1382080075 /nfs/dbraw/zinc/08/00/75/1382080075.db2.gz AWQDGPQBCZXNNT-INIZCTEOSA-N 1 2 330.338 3.073 20 30 EGEDLO CCCc1cc(C#N)c(N[C@H]2CCC[C@H]2[NH+]2CCOCC2)nc1Cl ZINC001160726930 1382179620 /nfs/dbraw/zinc/17/96/20/1382179620.db2.gz WHXOTWSLCAFOLI-JKSUJKDBSA-N 1 2 348.878 3.224 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@H+](Cc2nccc(C)n2)CC1 ZINC001160961194 1382252324 /nfs/dbraw/zinc/25/23/24/1382252324.db2.gz MFDPPBIHPMXPFF-MRXNPFEDSA-N 1 2 342.487 3.026 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@@H+](Cc2nccc(C)n2)CC1 ZINC001160961194 1382252329 /nfs/dbraw/zinc/25/23/29/1382252329.db2.gz MFDPPBIHPMXPFF-MRXNPFEDSA-N 1 2 342.487 3.026 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@@H+]([C@H](C)c2nnc(C)o2)CC1 ZINC001160967378 1382254618 /nfs/dbraw/zinc/25/46/18/1382254618.db2.gz HUYXDUHWTNLFOH-HUUCEWRRSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@H+]([C@H](C)c2nnc(C)o2)CC1 ZINC001160967378 1382254621 /nfs/dbraw/zinc/25/46/21/1382254621.db2.gz HUYXDUHWTNLFOH-HUUCEWRRSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@@H+]([C@H](C)c2ncccn2)CC1 ZINC001160990459 1382263061 /nfs/dbraw/zinc/26/30/61/1382263061.db2.gz AQXSVNYDEDBWFB-SJORKVTESA-N 1 2 342.487 3.278 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@H+]([C@H](C)c2ncccn2)CC1 ZINC001160990459 1382263066 /nfs/dbraw/zinc/26/30/66/1382263066.db2.gz AQXSVNYDEDBWFB-SJORKVTESA-N 1 2 342.487 3.278 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@H+](Cc2ccn(CC)n2)CC1 ZINC001160992719 1382266037 /nfs/dbraw/zinc/26/60/37/1382266037.db2.gz ZLFKDNYGLVWPJU-KRWDZBQOSA-N 1 2 344.503 3.144 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@@H+](Cc2ccn(CC)n2)CC1 ZINC001160992719 1382266038 /nfs/dbraw/zinc/26/60/38/1382266038.db2.gz ZLFKDNYGLVWPJU-KRWDZBQOSA-N 1 2 344.503 3.144 20 30 EGEDLO C[C@H](NC(=O)Cc1ccccc1CC#N)c1ccc(-n2cc[nH+]c2)cc1 ZINC001161013460 1382272279 /nfs/dbraw/zinc/27/22/79/1382272279.db2.gz PBHVITOMETXQOD-INIZCTEOSA-N 1 2 344.418 3.358 20 30 EGEDLO C=C1CCC(C(=O)NCCC2=CC[N@H+](Cc3ccon3)CC2)CC1 ZINC001161113754 1382303481 /nfs/dbraw/zinc/30/34/81/1382303481.db2.gz VAHDRIBSZXQBJG-UHFFFAOYSA-N 1 2 329.444 3.059 20 30 EGEDLO C=C1CCC(C(=O)NCCC2=CC[N@@H+](Cc3ccon3)CC2)CC1 ZINC001161113754 1382303485 /nfs/dbraw/zinc/30/34/85/1382303485.db2.gz VAHDRIBSZXQBJG-UHFFFAOYSA-N 1 2 329.444 3.059 20 30 EGEDLO C=C1CC(C)(C(=O)NCCC2=CC[N@H+]([C@H](C)c3ncccn3)CC2)C1 ZINC001161173917 1382325033 /nfs/dbraw/zinc/32/50/33/1382325033.db2.gz YPGADVCOQRSMAG-MRXNPFEDSA-N 1 2 340.471 3.032 20 30 EGEDLO C=C1CC(C)(C(=O)NCCC2=CC[N@@H+]([C@H](C)c3ncccn3)CC2)C1 ZINC001161173917 1382325035 /nfs/dbraw/zinc/32/50/35/1382325035.db2.gz YPGADVCOQRSMAG-MRXNPFEDSA-N 1 2 340.471 3.032 20 30 EGEDLO CCCCCCCCCCN(C)C(=O)[C@@H]1CC[NH2+][C@@H](C(=O)OC)C1 ZINC001161227141 1382349053 /nfs/dbraw/zinc/34/90/53/1382349053.db2.gz OYVJJKOECSTNLR-IAGOWNOFSA-N 1 2 340.508 3.127 20 30 EGEDLO COc1ccccc1[C@H](Nc1cc(CC#N)cc[nH+]1)c1nnc(C)o1 ZINC001162772598 1382867849 /nfs/dbraw/zinc/86/78/49/1382867849.db2.gz JPPDNCUFRZXGCF-KRWDZBQOSA-N 1 2 335.367 3.049 20 30 EGEDLO COc1ccc(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)nc1OC ZINC001163680083 1383104587 /nfs/dbraw/zinc/10/45/87/1383104587.db2.gz MDQVEPLSSCEJTG-UHFFFAOYSA-N 1 2 325.290 3.155 20 30 EGEDLO N#Cc1ccc2cc[nH+]c(N3C[C@H](CO)CC[C@@H]3C(F)(F)F)c2c1 ZINC001164013857 1383146803 /nfs/dbraw/zinc/14/68/03/1383146803.db2.gz PRNLJZJBAOVGME-IUODEOHRSA-N 1 2 335.329 3.246 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1(C[NH2+]Cc2noc(CCC)n2)CC1 ZINC001166756391 1383472877 /nfs/dbraw/zinc/47/28/77/1383472877.db2.gz WMLBWRCEJXHBDS-HNNXBMFYSA-N 1 2 348.491 3.001 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1(C[NH2+]CC(F)(F)C(F)F)CC1 ZINC001166756535 1383472884 /nfs/dbraw/zinc/47/28/84/1383472884.db2.gz YKLJMOWWFKLKEC-GFCCVEGCSA-N 1 2 338.389 3.365 20 30 EGEDLO C=C1CCC(C(=O)NCCC2(C[NH2+][C@H](C)c3noc(C)n3)CC2)CC1 ZINC001167025159 1383521113 /nfs/dbraw/zinc/52/11/13/1383521113.db2.gz BURITNLIQXLUFJ-CQSZACIVSA-N 1 2 346.475 3.062 20 30 EGEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)cc1Cl ZINC001303306552 1383792306 /nfs/dbraw/zinc/79/23/06/1383792306.db2.gz LSNPHMBDJJAOGK-QGZVFWFLSA-N 1 2 343.789 3.137 20 30 EGEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NC[C@@H]2CC(C)(C)O2)[nH+]1 ZINC001168453359 1383910123 /nfs/dbraw/zinc/91/01/23/1383910123.db2.gz VILLDAWXSFBNEK-DGQKNCRCSA-N 1 2 337.489 3.251 20 30 EGEDLO CCOc1cccc(F)c1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001308905671 1384158255 /nfs/dbraw/zinc/15/82/55/1384158255.db2.gz JEPYAQOVUSNSFO-UHFFFAOYSA-N 1 2 339.414 3.418 20 30 EGEDLO COc1ccc2c(c1)NC(=O)C[C@H]2CNc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001169910886 1384197313 /nfs/dbraw/zinc/19/73/13/1384197313.db2.gz AMMYJKKCFDAZNH-ZDUSSCGKSA-N 1 2 348.406 3.183 20 30 EGEDLO N#Cc1ccc(F)c(NC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC001310852831 1384242287 /nfs/dbraw/zinc/24/22/87/1384242287.db2.gz VYRHKEULIGMZME-UHFFFAOYSA-N 1 2 335.342 3.205 20 30 EGEDLO N#Cc1ccccc1OC1C[NH+]([C@@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171496566 1384542515 /nfs/dbraw/zinc/54/25/15/1384542515.db2.gz DPPLODVVGCKGAP-MRXNPFEDSA-N 1 2 340.373 3.457 20 30 EGEDLO CCC1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(C#N)ccc3F)C2)CCC1 ZINC001316949381 1384722459 /nfs/dbraw/zinc/72/24/59/1384722459.db2.gz QQHXLGRRKLTPHJ-KRWDZBQOSA-N 1 2 343.446 3.358 20 30 EGEDLO CCC1(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)CCC1 ZINC001316949381 1384722463 /nfs/dbraw/zinc/72/24/63/1384722463.db2.gz QQHXLGRRKLTPHJ-KRWDZBQOSA-N 1 2 343.446 3.358 20 30 EGEDLO C=CCOC(=O)[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](CC)CC(C)C ZINC001172402763 1384785001 /nfs/dbraw/zinc/78/50/01/1384785001.db2.gz XHBYIDHLXWXTNC-GJZGRUSLSA-N 1 2 327.465 3.230 20 30 EGEDLO CC(C)(C#N)[NH2+][C@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172519705 1384808576 /nfs/dbraw/zinc/80/85/76/1384808576.db2.gz RDQHFGDXPHRMAH-BZSNNMDCSA-N 1 2 325.456 3.209 20 30 EGEDLO C=CCOC1CCC([N@H+]2Cc3nnc(C(F)(F)F)n3[C@H](C)C2)CC1 ZINC001173322341 1384958710 /nfs/dbraw/zinc/95/87/10/1384958710.db2.gz BVYFSZYBYBCQRZ-PNESKVBLSA-N 1 2 344.381 3.187 20 30 EGEDLO C=CCOC1CCC([N@@H+]2Cc3nnc(C(F)(F)F)n3[C@H](C)C2)CC1 ZINC001173322341 1384958714 /nfs/dbraw/zinc/95/87/14/1384958714.db2.gz BVYFSZYBYBCQRZ-PNESKVBLSA-N 1 2 344.381 3.187 20 30 EGEDLO N#Cc1ccccc1C[NH2+][C@@H](CNC(=O)c1ccc[nH]1)c1ccccc1 ZINC001317713807 1385414803 /nfs/dbraw/zinc/41/48/03/1385414803.db2.gz IMHPLYJWZFUHNR-FQEVSTJZSA-N 1 2 344.418 3.147 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cccc(N(C)C)c2)C1 ZINC001317770311 1385461493 /nfs/dbraw/zinc/46/14/93/1385461493.db2.gz QGGODPGRUFGTSR-SFHVURJKSA-N 1 2 349.906 3.432 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cccc(N(C)C)c2)C1 ZINC001317770311 1385461495 /nfs/dbraw/zinc/46/14/95/1385461495.db2.gz QGGODPGRUFGTSR-SFHVURJKSA-N 1 2 349.906 3.432 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]3OCC[N@@H+](CC(=C)C)[C@H]3C2)CCCC1 ZINC001177163498 1385840479 /nfs/dbraw/zinc/84/04/79/1385840479.db2.gz UFBUGZIHFWPISD-ZWKOTPCHSA-N 1 2 332.488 3.001 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]3OCC[N@H+](CC(=C)C)[C@H]3C2)CCCC1 ZINC001177163498 1385840483 /nfs/dbraw/zinc/84/04/83/1385840483.db2.gz UFBUGZIHFWPISD-ZWKOTPCHSA-N 1 2 332.488 3.001 20 30 EGEDLO N#Cc1ccc(C[NH2+][C@@H](CC(N)=O)c2ccccc2Cl)c(F)c1 ZINC001178343943 1386193080 /nfs/dbraw/zinc/19/30/80/1386193080.db2.gz VMJXUVOASBLSBO-INIZCTEOSA-N 1 2 331.778 3.057 20 30 EGEDLO C=CCn1cnn(C[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)c1=S ZINC001339212983 1389945025 /nfs/dbraw/zinc/94/50/25/1389945025.db2.gz KMTNHLKVQNHUIV-KRWDZBQOSA-N 1 2 343.500 3.461 20 30 EGEDLO C=CCn1cnn(C[N@@H+]2CCC[C@H]2c2cccc(N(C)C)c2)c1=S ZINC001339212983 1389945029 /nfs/dbraw/zinc/94/50/29/1389945029.db2.gz KMTNHLKVQNHUIV-KRWDZBQOSA-N 1 2 343.500 3.461 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H]1C1CCC1 ZINC001339528095 1390057037 /nfs/dbraw/zinc/05/70/37/1390057037.db2.gz CDNQHLZDWDPICP-DLBZAZTESA-N 1 2 329.492 3.390 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H]1C1CCC1 ZINC001339528095 1390057039 /nfs/dbraw/zinc/05/70/39/1390057039.db2.gz CDNQHLZDWDPICP-DLBZAZTESA-N 1 2 329.492 3.390 20 30 EGEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N(C)Cc1cccs1 ZINC001340298102 1390267427 /nfs/dbraw/zinc/26/74/27/1390267427.db2.gz VYFSPEPBYOEPSI-UHFFFAOYSA-N 1 2 331.489 3.148 20 30 EGEDLO C[NH+](C)Cc1cc(C(=O)Nc2sc3c(c2C#N)CCCCC3)no1 ZINC001334709438 1390571560 /nfs/dbraw/zinc/57/15/60/1390571560.db2.gz AAZQHSVMQQCPSN-UHFFFAOYSA-N 1 2 344.440 3.191 20 30 EGEDLO C=C(C)CN(CC)c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1CC(=C)C ZINC001342353876 1390603987 /nfs/dbraw/zinc/60/39/87/1390603987.db2.gz ABRIHHXLDVAYSC-KRWDZBQOSA-N 1 2 347.507 3.038 20 30 EGEDLO C=C(C)CN(CC)c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1CC(=C)C ZINC001342353876 1390603989 /nfs/dbraw/zinc/60/39/89/1390603989.db2.gz ABRIHHXLDVAYSC-KRWDZBQOSA-N 1 2 347.507 3.038 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC(C)(F)CC1 ZINC001343927751 1390744770 /nfs/dbraw/zinc/74/47/70/1390744770.db2.gz JVGIJTWZTTZOJK-HNNXBMFYSA-N 1 2 335.471 3.339 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC(C)(F)CC1 ZINC001343927751 1390744772 /nfs/dbraw/zinc/74/47/72/1390744772.db2.gz JVGIJTWZTTZOJK-HNNXBMFYSA-N 1 2 335.471 3.339 20 30 EGEDLO CCn1ccnc1C(C#N)=C(O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001345646672 1390871782 /nfs/dbraw/zinc/87/17/82/1390871782.db2.gz MNTOWPXKCJHLNY-GOSISDBHSA-N 1 2 336.439 3.379 20 30 EGEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC001346636805 1390964817 /nfs/dbraw/zinc/96/48/17/1390964817.db2.gz STEXRWMEIFQGEW-CALCHBBNSA-N 1 2 329.492 3.076 20 30 EGEDLO Cc1nc(NCc2cccc(OCC#N)c2)c(Br)c(C)[nH+]1 ZINC001350465038 1391467921 /nfs/dbraw/zinc/46/79/21/1391467921.db2.gz HCGALBYEFCPQJD-UHFFFAOYSA-N 1 2 347.216 3.370 20 30 EGEDLO C[C@H](C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F)c1cccs1 ZINC001480911878 1393015704 /nfs/dbraw/zinc/01/57/04/1393015704.db2.gz NDYSHFPRNXABGJ-ZDUSSCGKSA-N 1 2 345.443 3.111 20 30 EGEDLO C[C@H](C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F)c1cccs1 ZINC001480911878 1393015705 /nfs/dbraw/zinc/01/57/05/1393015705.db2.gz NDYSHFPRNXABGJ-ZDUSSCGKSA-N 1 2 345.443 3.111 20 30 EGEDLO C[N@H+](CCNC(=O)c1ccc(Cl)s1)Cc1ccccc1C#N ZINC001480943446 1393037653 /nfs/dbraw/zinc/03/76/53/1393037653.db2.gz SPJLQXSJSPYRCS-UHFFFAOYSA-N 1 2 333.844 3.135 20 30 EGEDLO C[N@@H+](CCNC(=O)c1ccc(Cl)s1)Cc1ccccc1C#N ZINC001480943446 1393037656 /nfs/dbraw/zinc/03/76/56/1393037656.db2.gz SPJLQXSJSPYRCS-UHFFFAOYSA-N 1 2 333.844 3.135 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cc(Cl)c(Cl)n1C ZINC001480979413 1393063915 /nfs/dbraw/zinc/06/39/15/1393063915.db2.gz IMZSNJAHDCMEOS-UHFFFAOYSA-N 1 2 338.666 3.136 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cc(Cl)c(Cl)n1C ZINC001480979413 1393063917 /nfs/dbraw/zinc/06/39/17/1393063917.db2.gz IMZSNJAHDCMEOS-UHFFFAOYSA-N 1 2 338.666 3.136 20 30 EGEDLO CC[C@H](C)CC(=O)NCC[N@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001481166428 1393139834 /nfs/dbraw/zinc/13/98/34/1393139834.db2.gz NKOCAMSKQSYGAU-AWEZNQCLSA-N 1 2 331.435 3.214 20 30 EGEDLO CC[C@H](C)CC(=O)NCC[N@@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001481166428 1393139835 /nfs/dbraw/zinc/13/98/35/1393139835.db2.gz NKOCAMSKQSYGAU-AWEZNQCLSA-N 1 2 331.435 3.214 20 30 EGEDLO C[C@@H](CC(=O)NCC[N@H+](Cc1ccc(C#N)cc1F)C1CC1)C1CC1 ZINC001481199371 1393148490 /nfs/dbraw/zinc/14/84/90/1393148490.db2.gz DSWDYAMJAALEFY-AWEZNQCLSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@@H](CC(=O)NCC[N@@H+](Cc1ccc(C#N)cc1F)C1CC1)C1CC1 ZINC001481199371 1393148491 /nfs/dbraw/zinc/14/84/91/1393148491.db2.gz DSWDYAMJAALEFY-AWEZNQCLSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2ccn(C(C)C)n2)C1 ZINC001481407530 1394263441 /nfs/dbraw/zinc/26/34/41/1394263441.db2.gz TXSNLWHBUBUAPF-OAHLLOKOSA-N 1 2 338.883 3.143 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccn(C(C)C)n2)C1 ZINC001481407530 1394263448 /nfs/dbraw/zinc/26/34/48/1394263448.db2.gz TXSNLWHBUBUAPF-OAHLLOKOSA-N 1 2 338.883 3.143 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc2nc(C)sc2c1 ZINC001485368190 1395845418 /nfs/dbraw/zinc/84/54/18/1395845418.db2.gz NKGLDGFCLBJOFF-LLVKDONJSA-N 1 2 337.876 3.407 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccc2nc(C)sc2c1 ZINC001485368190 1395845425 /nfs/dbraw/zinc/84/54/25/1395845425.db2.gz NKGLDGFCLBJOFF-LLVKDONJSA-N 1 2 337.876 3.407 20 30 EGEDLO CCC[C@@H](C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1)C(C)C ZINC001494599963 1396484234 /nfs/dbraw/zinc/48/42/34/1396484234.db2.gz XHTSHGLLXYRHIH-GOSISDBHSA-N 1 2 345.462 3.318 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC001690101489 1404299103 /nfs/dbraw/zinc/29/91/03/1404299103.db2.gz CANINABTZYGXEY-KRWDZBQOSA-N 1 2 339.439 3.388 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC001690101489 1404299108 /nfs/dbraw/zinc/29/91/08/1404299108.db2.gz CANINABTZYGXEY-KRWDZBQOSA-N 1 2 339.439 3.388 20 30 EGEDLO CC(C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001692079011 1405762713 /nfs/dbraw/zinc/76/27/13/1405762713.db2.gz UPEPTIJCKOVBAV-QGZVFWFLSA-N 1 2 331.435 3.214 20 30 EGEDLO CC(C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001692079011 1405762716 /nfs/dbraw/zinc/76/27/16/1405762716.db2.gz UPEPTIJCKOVBAV-QGZVFWFLSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2ncoc2C2CC2)C1 ZINC001732041702 1428270712 /nfs/dbraw/zinc/27/07/12/1428270712.db2.gz UMSDIVLZOOUPNH-AWEZNQCLSA-N 1 2 337.851 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2ncoc2C2CC2)C1 ZINC001732041702 1428270715 /nfs/dbraw/zinc/27/07/15/1428270715.db2.gz UMSDIVLZOOUPNH-AWEZNQCLSA-N 1 2 337.851 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(F)cc2cccnc21 ZINC001699465484 1412831470 /nfs/dbraw/zinc/83/14/70/1412831470.db2.gz ZQNBXRJZEUHSMJ-GFCCVEGCSA-N 1 2 335.810 3.177 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(F)cc2cccnc21 ZINC001699465484 1412831475 /nfs/dbraw/zinc/83/14/75/1412831475.db2.gz ZQNBXRJZEUHSMJ-GFCCVEGCSA-N 1 2 335.810 3.177 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CCn2ccc3ccccc32)C1 ZINC001700548851 1414218053 /nfs/dbraw/zinc/21/80/53/1414218053.db2.gz CPSNXJBYXJGBNP-OAHLLOKOSA-N 1 2 345.874 3.220 20 30 EGEDLO C[N@H+](CCNC(=O)[C@@H]1CCC(C)(C)C1)Cc1cc(C#N)ccc1F ZINC001714558488 1419286313 /nfs/dbraw/zinc/28/63/13/1419286313.db2.gz LFXURECJZILVFA-OAHLLOKOSA-N 1 2 331.435 3.072 20 30 EGEDLO C[N@@H+](CCNC(=O)[C@@H]1CCC(C)(C)C1)Cc1cc(C#N)ccc1F ZINC001714558488 1419286314 /nfs/dbraw/zinc/28/63/14/1419286314.db2.gz LFXURECJZILVFA-OAHLLOKOSA-N 1 2 331.435 3.072 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001714922125 1419674747 /nfs/dbraw/zinc/67/47/47/1419674747.db2.gz UGAWLDMFSGYNAR-QGZVFWFLSA-N 1 2 347.890 3.399 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001714922125 1419674748 /nfs/dbraw/zinc/67/47/48/1419674748.db2.gz UGAWLDMFSGYNAR-QGZVFWFLSA-N 1 2 347.890 3.399 20 30 EGEDLO CCc1occc1C(=O)N(C)CC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001715514667 1420200068 /nfs/dbraw/zinc/20/00/68/1420200068.db2.gz IIMZNUCVVNZVTE-UHFFFAOYSA-N 1 2 343.402 3.057 20 30 EGEDLO CCc1occc1C(=O)N(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001715514667 1420200071 /nfs/dbraw/zinc/20/00/71/1420200071.db2.gz IIMZNUCVVNZVTE-UHFFFAOYSA-N 1 2 343.402 3.057 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001715867801 1420374375 /nfs/dbraw/zinc/37/43/75/1420374375.db2.gz KRAFAPMQFHDNFB-OLZOCXBDSA-N 1 2 340.817 3.498 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001715867801 1420374377 /nfs/dbraw/zinc/37/43/77/1420374377.db2.gz KRAFAPMQFHDNFB-OLZOCXBDSA-N 1 2 340.817 3.498 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C(C)(C)c1ccccc1OC ZINC001716033353 1420492806 /nfs/dbraw/zinc/49/28/06/1420492806.db2.gz GXZALMPLLNTNNN-UHFFFAOYSA-N 1 2 338.879 3.116 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C(C)(C)c1ccccc1OC ZINC001716033353 1420492807 /nfs/dbraw/zinc/49/28/07/1420492807.db2.gz GXZALMPLLNTNNN-UHFFFAOYSA-N 1 2 338.879 3.116 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccccc1-n1cccc1 ZINC001716039944 1420501343 /nfs/dbraw/zinc/50/13/43/1420501343.db2.gz MUQUZHLSMGBESQ-OAHLLOKOSA-N 1 2 331.847 3.280 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccccc1-n1cccc1 ZINC001716039944 1420501345 /nfs/dbraw/zinc/50/13/45/1420501345.db2.gz MUQUZHLSMGBESQ-OAHLLOKOSA-N 1 2 331.847 3.280 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1ccc(F)c(Cl)c1 ZINC001716046258 1420510071 /nfs/dbraw/zinc/51/00/71/1420510071.db2.gz VAMHALWUGZTVPY-LLVKDONJSA-N 1 2 333.234 3.211 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1ccc(F)c(Cl)c1 ZINC001716046258 1420510073 /nfs/dbraw/zinc/51/00/73/1420510073.db2.gz VAMHALWUGZTVPY-LLVKDONJSA-N 1 2 333.234 3.211 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCc2cccs2)[C@@H]1C ZINC001717860178 1421672566 /nfs/dbraw/zinc/67/25/66/1421672566.db2.gz IBDHCGSZTLGHAC-ZFWWWQNUSA-N 1 2 326.893 3.402 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCc2cccs2)[C@@H]1C ZINC001717860178 1421672567 /nfs/dbraw/zinc/67/25/67/1421672567.db2.gz IBDHCGSZTLGHAC-ZFWWWQNUSA-N 1 2 326.893 3.402 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)C1CC(C)(C)C1 ZINC001724851548 1425214861 /nfs/dbraw/zinc/21/48/61/1425214861.db2.gz GYFMNAKXVMKCIU-UHFFFAOYSA-N 1 2 331.298 3.112 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)C1CC(C)(C)C1 ZINC001724851548 1425214865 /nfs/dbraw/zinc/21/48/65/1425214865.db2.gz GYFMNAKXVMKCIU-UHFFFAOYSA-N 1 2 331.298 3.112 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)COc1c(C)cc(C)cc1C ZINC001725194803 1425746886 /nfs/dbraw/zinc/74/68/86/1425746886.db2.gz LFWDYESHUJZRJO-INIZCTEOSA-N 1 2 338.879 3.180 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)COc1c(C)cc(C)cc1C ZINC001725194803 1425746891 /nfs/dbraw/zinc/74/68/91/1425746891.db2.gz LFWDYESHUJZRJO-INIZCTEOSA-N 1 2 338.879 3.180 20 30 EGEDLO CCC(C)(C)CC(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001725251041 1425871224 /nfs/dbraw/zinc/87/12/24/1425871224.db2.gz WBAOIPIKJHTNOG-AWEZNQCLSA-N 1 2 345.462 3.460 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)CCC2CCC2)[C@H]1C ZINC001725628147 1426295098 /nfs/dbraw/zinc/29/50/98/1426295098.db2.gz OBUUONZEBVCKKE-UKRRQHHQSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)CCC2CCC2)[C@H]1C ZINC001725628147 1426295102 /nfs/dbraw/zinc/29/51/02/1426295102.db2.gz OBUUONZEBVCKKE-UKRRQHHQSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)CCC1(C)CC1 ZINC001733938042 1437753203 /nfs/dbraw/zinc/75/32/03/1437753203.db2.gz MHXHKLOSVPWFBZ-CQSZACIVSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccc2nc(C)sc2c1 ZINC001731814205 1428004841 /nfs/dbraw/zinc/00/48/41/1428004841.db2.gz QHDCDACICBSHJX-UHFFFAOYSA-N 1 2 337.876 3.409 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccc2nc(C)sc2c1 ZINC001731814205 1428004846 /nfs/dbraw/zinc/00/48/46/1428004846.db2.gz QHDCDACICBSHJX-UHFFFAOYSA-N 1 2 337.876 3.409 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@]1(C)CCc2ccccc21)C1CC1 ZINC001731883229 1428155631 /nfs/dbraw/zinc/15/56/31/1428155631.db2.gz DAZLZSWZFZRDRZ-IBGZPJMESA-N 1 2 332.875 3.224 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@]1(C)CCc2ccccc21)C1CC1 ZINC001731883229 1428155632 /nfs/dbraw/zinc/15/56/32/1428155632.db2.gz DAZLZSWZFZRDRZ-IBGZPJMESA-N 1 2 332.875 3.224 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CC2(C)CC2)C[C@@H]1C ZINC001733900228 1437717930 /nfs/dbraw/zinc/71/79/30/1437717930.db2.gz OHOYLZJAMJREPQ-STQMWFEESA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CC2(C)CC2)C[C@@H]1C ZINC001733900228 1437717932 /nfs/dbraw/zinc/71/79/32/1437717932.db2.gz OHOYLZJAMJREPQ-STQMWFEESA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)CCC1(C)CC1 ZINC001733938042 1437753200 /nfs/dbraw/zinc/75/32/00/1437753200.db2.gz MHXHKLOSVPWFBZ-CQSZACIVSA-N 1 2 343.309 3.398 20 30 EGEDLO C#CCCCC(=O)N(CCC)C1CC[NH+](Cc2cscn2)CC1 ZINC001752433455 1440179396 /nfs/dbraw/zinc/17/93/96/1440179396.db2.gz JZFALZFYJDRPGP-UHFFFAOYSA-N 1 2 333.501 3.150 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1F ZINC001752816080 1440218076 /nfs/dbraw/zinc/21/80/76/1440218076.db2.gz KYAMJELDAZGGCA-DOMZBBRYSA-N 1 2 337.826 3.109 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1F ZINC001752816080 1440218077 /nfs/dbraw/zinc/21/80/77/1440218077.db2.gz KYAMJELDAZGGCA-DOMZBBRYSA-N 1 2 337.826 3.109 20 30 EGEDLO C=C[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ncc(C(C)C)o1)c1ccccc1 ZINC001752920332 1440248454 /nfs/dbraw/zinc/24/84/54/1440248454.db2.gz BHZGAZXAAHQBGO-DOTOQJQBSA-N 1 2 341.455 3.362 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[C@H]([N@H+](C)Cc2nc(C)oc2C)C1 ZINC001752995609 1440261818 /nfs/dbraw/zinc/26/18/18/1440261818.db2.gz XUXXPZNLNBOGIK-SJORKVTESA-N 1 2 333.476 3.317 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2nc(C)oc2C)C1 ZINC001752995609 1440261819 /nfs/dbraw/zinc/26/18/19/1440261819.db2.gz XUXXPZNLNBOGIK-SJORKVTESA-N 1 2 333.476 3.317 20 30 EGEDLO C[N@H+](CCNC(=O)CCC1CCCC1)Cc1ccc(C#N)cc1F ZINC001753041453 1440276442 /nfs/dbraw/zinc/27/64/42/1440276442.db2.gz KLYUWSYSQWQPHL-UHFFFAOYSA-N 1 2 331.435 3.216 20 30 EGEDLO C[N@@H+](CCNC(=O)CCC1CCCC1)Cc1ccc(C#N)cc1F ZINC001753041453 1440276443 /nfs/dbraw/zinc/27/64/43/1440276443.db2.gz KLYUWSYSQWQPHL-UHFFFAOYSA-N 1 2 331.435 3.216 20 30 EGEDLO CC#CCCCC(=O)NCC[N@H+](C)Cc1cc(-c2cccs2)on1 ZINC001753060134 1440282995 /nfs/dbraw/zinc/28/29/95/1440282995.db2.gz HKCHBPCAXYAKPY-UHFFFAOYSA-N 1 2 345.468 3.145 20 30 EGEDLO CC#CCCCC(=O)NCC[N@@H+](C)Cc1cc(-c2cccs2)on1 ZINC001753060134 1440282996 /nfs/dbraw/zinc/28/29/96/1440282996.db2.gz HKCHBPCAXYAKPY-UHFFFAOYSA-N 1 2 345.468 3.145 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccc(C(F)(F)F)s1 ZINC001753075214 1440291016 /nfs/dbraw/zinc/29/10/16/1440291016.db2.gz PIOTYACCTJGFLW-UHFFFAOYSA-N 1 2 326.771 3.181 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccc(C(F)(F)F)s1 ZINC001753075214 1440291017 /nfs/dbraw/zinc/29/10/17/1440291017.db2.gz PIOTYACCTJGFLW-UHFFFAOYSA-N 1 2 326.771 3.181 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CC[N@H+](Cc2cc(Cl)sc2Cl)C1 ZINC001753124855 1440314786 /nfs/dbraw/zinc/31/47/86/1440314786.db2.gz IJYSLSXFMKSXJR-UWVGGRQHSA-N 1 2 346.283 3.153 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CC[N@@H+](Cc2cc(Cl)sc2Cl)C1 ZINC001753124855 1440314787 /nfs/dbraw/zinc/31/47/87/1440314787.db2.gz IJYSLSXFMKSXJR-UWVGGRQHSA-N 1 2 346.283 3.153 20 30 EGEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)c1ccoc1Cl)C1CC1 ZINC001753153080 1440329188 /nfs/dbraw/zinc/32/91/88/1440329188.db2.gz LZONYXMAZWCBPH-UHFFFAOYSA-N 1 2 343.814 3.199 20 30 EGEDLO N#Cc1ccccc1C[N@H+](CCNC(=O)c1ccoc1Cl)C1CC1 ZINC001753153080 1440329189 /nfs/dbraw/zinc/32/91/89/1440329189.db2.gz LZONYXMAZWCBPH-UHFFFAOYSA-N 1 2 343.814 3.199 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)C1(c2ccccc2OC)CC1)C1CC1 ZINC001753165585 1440335955 /nfs/dbraw/zinc/33/59/55/1440335955.db2.gz ZETITAJIEZZIMV-UHFFFAOYSA-N 1 2 348.874 3.060 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)C1(c2ccccc2OC)CC1)C1CC1 ZINC001753165585 1440335956 /nfs/dbraw/zinc/33/59/56/1440335956.db2.gz ZETITAJIEZZIMV-UHFFFAOYSA-N 1 2 348.874 3.060 20 30 EGEDLO C#CCCCCC(=O)N(CCC)[C@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001753316216 1440359915 /nfs/dbraw/zinc/35/99/15/1440359915.db2.gz NQVUHUITDLBQPJ-KRWDZBQOSA-N 1 2 347.528 3.458 20 30 EGEDLO C#CCCCCC(=O)N(CCC)[C@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001753316216 1440359916 /nfs/dbraw/zinc/35/99/16/1440359916.db2.gz NQVUHUITDLBQPJ-KRWDZBQOSA-N 1 2 347.528 3.458 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)CCc2ccccn2)C1 ZINC001753318599 1440361395 /nfs/dbraw/zinc/36/13/95/1440361395.db2.gz MFEDRECNBPOZHY-QGZVFWFLSA-N 1 2 335.879 3.080 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)CCc2ccccn2)C1 ZINC001753318599 1440361396 /nfs/dbraw/zinc/36/13/96/1440361396.db2.gz MFEDRECNBPOZHY-QGZVFWFLSA-N 1 2 335.879 3.080 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)NC1C[NH+](Cc2ccccc2C2CC2)C1 ZINC001753381970 1440387856 /nfs/dbraw/zinc/38/78/56/1440387856.db2.gz CVIXKNFDFCRJGS-OAQYLSRUSA-N 1 2 342.483 3.093 20 30 EGEDLO C#CCCCCC(=O)NCC1C[NH+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC001753400934 1440391100 /nfs/dbraw/zinc/39/11/00/1440391100.db2.gz NRAPDDIBBWYZMX-AWEZNQCLSA-N 1 2 334.410 3.267 20 30 EGEDLO C#CCCCCCC(=O)N(C)[C@H]1CC[N@H+](CC(=C)Br)C1 ZINC001753442728 1440402330 /nfs/dbraw/zinc/40/23/30/1440402330.db2.gz IYTDYOMGVYEZLP-HNNXBMFYSA-N 1 2 341.293 3.011 20 30 EGEDLO C#CCCCCCC(=O)N(C)[C@H]1CC[N@@H+](CC(=C)Br)C1 ZINC001753442728 1440402331 /nfs/dbraw/zinc/40/23/31/1440402331.db2.gz IYTDYOMGVYEZLP-HNNXBMFYSA-N 1 2 341.293 3.011 20 30 EGEDLO C=CCC(C)(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001753445468 1440403669 /nfs/dbraw/zinc/40/36/69/1440403669.db2.gz MRRUNIKNSVXOJM-HNNXBMFYSA-N 1 2 335.879 3.370 20 30 EGEDLO C=CCC(C)(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001753445468 1440403670 /nfs/dbraw/zinc/40/36/70/1440403670.db2.gz MRRUNIKNSVXOJM-HNNXBMFYSA-N 1 2 335.879 3.370 20 30 EGEDLO C=CCC(CC=C)C(=O)N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2nnc(C)o2)C1 ZINC001753456692 1440408370 /nfs/dbraw/zinc/40/83/70/1440408370.db2.gz AYCHEFBYWLTUOC-WMLDXEAASA-N 1 2 346.475 3.130 20 30 EGEDLO C=CCC(CC=C)C(=O)N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2nnc(C)o2)C1 ZINC001753456692 1440408371 /nfs/dbraw/zinc/40/83/71/1440408371.db2.gz AYCHEFBYWLTUOC-WMLDXEAASA-N 1 2 346.475 3.130 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H](CC)OC2CCCC2)C1 ZINC001753460209 1440410214 /nfs/dbraw/zinc/41/02/14/1440410214.db2.gz ZAEBVYMEHVDYIQ-WBVHZDCISA-N 1 2 342.911 3.400 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](CC)OC2CCCC2)C1 ZINC001753460209 1440410215 /nfs/dbraw/zinc/41/02/15/1440410215.db2.gz ZAEBVYMEHVDYIQ-WBVHZDCISA-N 1 2 342.911 3.400 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H](CC)[NH2+]Cc2nnc(C(C)(C)C)o2)CC1 ZINC001753490436 1440419272 /nfs/dbraw/zinc/41/92/72/1440419272.db2.gz WPBRKUXYTSIUEH-HNNXBMFYSA-N 1 2 348.491 3.098 20 30 EGEDLO C[C@H](C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1)C(C)(C)C ZINC001754487809 1440609194 /nfs/dbraw/zinc/60/91/94/1440609194.db2.gz PXXHRLWFQSCQCO-CZUORRHYSA-N 1 2 331.435 3.070 20 30 EGEDLO C[C@H](C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1)C(C)(C)C ZINC001754487809 1440609195 /nfs/dbraw/zinc/60/91/95/1440609195.db2.gz PXXHRLWFQSCQCO-CZUORRHYSA-N 1 2 331.435 3.070 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C(C)C)n1 ZINC001754491542 1440610392 /nfs/dbraw/zinc/61/03/92/1440610392.db2.gz LLVWCQQAJXRXNX-WMZOPIPTSA-N 1 2 329.488 3.498 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C(C)C)n1 ZINC001754491542 1440610393 /nfs/dbraw/zinc/61/03/93/1440610393.db2.gz LLVWCQQAJXRXNX-WMZOPIPTSA-N 1 2 329.488 3.498 20 30 EGEDLO CCCCCCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001754499750 1440613626 /nfs/dbraw/zinc/61/36/26/1440613626.db2.gz DNDUBPGHUMDJKA-QGZVFWFLSA-N 1 2 331.435 3.358 20 30 EGEDLO CCCCCCC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001754499750 1440613627 /nfs/dbraw/zinc/61/36/27/1440613627.db2.gz DNDUBPGHUMDJKA-QGZVFWFLSA-N 1 2 331.435 3.358 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N(C)C1C[NH+](CCOc2cc(C)ccc2C)C1 ZINC001754581919 1440638732 /nfs/dbraw/zinc/63/87/32/1440638732.db2.gz LFZLUCWEWKZCCC-SFHVURJKSA-N 1 2 344.499 3.427 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cscn1 ZINC001754660240 1440654607 /nfs/dbraw/zinc/65/46/07/1440654607.db2.gz SLSCYSYVSBXHAQ-CVEARBPZSA-N 1 2 333.501 3.311 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cscn1 ZINC001754660240 1440654608 /nfs/dbraw/zinc/65/46/08/1440654608.db2.gz SLSCYSYVSBXHAQ-CVEARBPZSA-N 1 2 333.501 3.311 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H](C)OC2CCCCCC2)C1 ZINC001754677892 1440660624 /nfs/dbraw/zinc/66/06/24/1440660624.db2.gz BRRGJIHQAQLTEU-MAUKXSAKSA-N 1 2 342.911 3.447 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)OC2CCCCCC2)C1 ZINC001754677892 1440660625 /nfs/dbraw/zinc/66/06/25/1440660625.db2.gz BRRGJIHQAQLTEU-MAUKXSAKSA-N 1 2 342.911 3.447 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCC1(O)C[NH+](Cc2ccccc2C(C)C)C1 ZINC001754771535 1440685733 /nfs/dbraw/zinc/68/57/33/1440685733.db2.gz CSGLHXAKKFDLOA-UHFFFAOYSA-N 1 2 344.499 3.075 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1COC2(C[NH+](Cc3ccc(C)cc3)C2)C1 ZINC001755062630 1440744511 /nfs/dbraw/zinc/74/45/11/1440744511.db2.gz BSUXISSLVMNNDX-AZUAARDMSA-N 1 2 342.483 3.057 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H](CCC)C(C)C ZINC001755075293 1440748495 /nfs/dbraw/zinc/74/84/95/1440748495.db2.gz DFXDBQCPGCLDEW-VQTJNVASSA-N 1 2 326.484 3.235 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H](CCC)C(C)C ZINC001755075293 1440748496 /nfs/dbraw/zinc/74/84/96/1440748496.db2.gz DFXDBQCPGCLDEW-VQTJNVASSA-N 1 2 326.484 3.235 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC(C)(C)CC(F)F ZINC001755075831 1440748612 /nfs/dbraw/zinc/74/86/12/1440748612.db2.gz NQLJJZMJLZLEOG-KRWDZBQOSA-N 1 2 348.437 3.234 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC(C)(C)CC(F)F ZINC001755075831 1440748613 /nfs/dbraw/zinc/74/86/13/1440748613.db2.gz NQLJJZMJLZLEOG-KRWDZBQOSA-N 1 2 348.437 3.234 20 30 EGEDLO Cc1cncc(C[N@H+]2Cc3ccc(CNC(=O)C#CC(C)C)cc3C2)c1 ZINC001755100757 1440752133 /nfs/dbraw/zinc/75/21/33/1440752133.db2.gz FWSDLAQWQZXAOL-UHFFFAOYSA-N 1 2 347.462 3.181 20 30 EGEDLO Cc1cncc(C[N@@H+]2Cc3ccc(CNC(=O)C#CC(C)C)cc3C2)c1 ZINC001755100757 1440752134 /nfs/dbraw/zinc/75/21/34/1440752134.db2.gz FWSDLAQWQZXAOL-UHFFFAOYSA-N 1 2 347.462 3.181 20 30 EGEDLO CC[C@@H](F)C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)CC1(C)C ZINC001755140981 1440760308 /nfs/dbraw/zinc/76/03/08/1440760308.db2.gz JZFBFZZQZAVUNP-SJORKVTESA-N 1 2 349.425 3.162 20 30 EGEDLO CC[C@@H](F)C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)CC1(C)C ZINC001755140981 1440760309 /nfs/dbraw/zinc/76/03/09/1440760309.db2.gz JZFBFZZQZAVUNP-SJORKVTESA-N 1 2 349.425 3.162 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)/C(C)=C\CC)C[C@H]1C ZINC001755158583 1440763816 /nfs/dbraw/zinc/76/38/16/1440763816.db2.gz XEQBIASOHKBMGM-FGHOCRGKSA-N 1 2 329.282 3.220 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)/C(C)=C\CC)C[C@H]1C ZINC001755158583 1440763817 /nfs/dbraw/zinc/76/38/17/1440763817.db2.gz XEQBIASOHKBMGM-FGHOCRGKSA-N 1 2 329.282 3.220 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1csc(C2CC2)n1 ZINC001755192444 1440775349 /nfs/dbraw/zinc/77/53/49/1440775349.db2.gz FVQZVWHVEUHZPP-KRWDZBQOSA-N 1 2 345.512 3.103 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1csc(C2CC2)n1 ZINC001755192444 1440775350 /nfs/dbraw/zinc/77/53/50/1440775350.db2.gz FVQZVWHVEUHZPP-KRWDZBQOSA-N 1 2 345.512 3.103 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(Cl)c(OC)c1 ZINC001755320590 1440818233 /nfs/dbraw/zinc/81/82/33/1440818233.db2.gz TYCUPNQQXXNSAT-NSHDSACASA-N 1 2 331.243 3.151 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(Cl)c(OC)c1 ZINC001755320590 1440818232 /nfs/dbraw/zinc/81/82/32/1440818232.db2.gz TYCUPNQQXXNSAT-NSHDSACASA-N 1 2 331.243 3.151 20 30 EGEDLO C=C(C)CCC(=O)N[C@H](C)C1C[NH+](Cc2cc(O)ccc2Cl)C1 ZINC001755376760 1440838382 /nfs/dbraw/zinc/83/83/82/1440838382.db2.gz JJKLXADSHJCKPP-CYBMUJFWSA-N 1 2 336.863 3.338 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC2(C(F)(F)F)CC2)C(C)(C)C1 ZINC001755412667 1440847170 /nfs/dbraw/zinc/84/71/70/1440847170.db2.gz POATWKMNRSJTFO-NSHDSACASA-N 1 2 338.801 3.298 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC2(C(F)(F)F)CC2)C(C)(C)C1 ZINC001755412667 1440847171 /nfs/dbraw/zinc/84/71/71/1440847171.db2.gz POATWKMNRSJTFO-NSHDSACASA-N 1 2 338.801 3.298 20 30 EGEDLO CC(C)N(CC[N@H+](C)[C@@H](C)c1ncc(C(C)(C)C)o1)C(=O)[C@H](C)C#N ZINC001755810628 1440920111 /nfs/dbraw/zinc/92/01/11/1440920111.db2.gz GUUBCROCHHEQJY-CABCVRRESA-N 1 2 348.491 3.362 20 30 EGEDLO CC(C)N(CC[N@@H+](C)[C@@H](C)c1ncc(C(C)(C)C)o1)C(=O)[C@H](C)C#N ZINC001755810628 1440920112 /nfs/dbraw/zinc/92/01/12/1440920112.db2.gz GUUBCROCHHEQJY-CABCVRRESA-N 1 2 348.491 3.362 20 30 EGEDLO C=CCCC(=O)N1C[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)CC[C@H]1C ZINC001756803672 1441058417 /nfs/dbraw/zinc/05/84/17/1441058417.db2.gz OXSKPVBEMYRCAB-NVXWUHKLSA-N 1 2 343.471 3.082 20 30 EGEDLO C=CC[NH+]1CCN(C(F)(F)c2ccc3ncc(Cl)nc3c2)CC1 ZINC001165033587 721865173 /nfs/dbraw/zinc/86/51/73/721865173.db2.gz RDOIJVYNGSAODV-UHFFFAOYSA-N 1 2 338.789 3.136 20 30 EGEDLO C=CCOc1cccc(NC(=O)NCCc2cn3ccccc3[nH+]2)c1 ZINC000056595494 214380271 /nfs/dbraw/zinc/38/02/71/214380271.db2.gz MRPDHYNMSBECPG-UHFFFAOYSA-N 1 2 336.395 3.263 20 30 EGEDLO Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554834 219136600 /nfs/dbraw/zinc/13/66/00/219136600.db2.gz SYYLENKFPNTHPU-QGZVFWFLSA-N 1 2 348.450 3.016 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)s1 ZINC000128917661 223000967 /nfs/dbraw/zinc/00/09/67/223000967.db2.gz WUVAJHKJCBCQNV-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)s1 ZINC000128917661 223000968 /nfs/dbraw/zinc/00/09/68/223000968.db2.gz WUVAJHKJCBCQNV-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO Cc1nc(C[NH+]2CCN(c3ccc(C#N)c(Cl)c3)CC2)oc1C ZINC000110535588 220042704 /nfs/dbraw/zinc/04/27/04/220042704.db2.gz IZDSTLPAFSGVQT-UHFFFAOYSA-N 1 2 330.819 3.139 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000095432176 218374328 /nfs/dbraw/zinc/37/43/28/218374328.db2.gz BZCLSJAYHMNEGP-PWSUYJOCSA-N 1 2 333.270 3.130 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000095432176 218374330 /nfs/dbraw/zinc/37/43/30/218374330.db2.gz BZCLSJAYHMNEGP-PWSUYJOCSA-N 1 2 333.270 3.130 20 30 EGEDLO C[C@@H](C#N)Sc1nnc(C[NH+]2CCCCC2)n1Cc1ccccc1 ZINC000008754337 258053878 /nfs/dbraw/zinc/05/38/78/258053878.db2.gz MXEIKVBILDNPTM-HNNXBMFYSA-N 1 2 341.484 3.316 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000338130212 141098483 /nfs/dbraw/zinc/09/84/83/141098483.db2.gz YUODAIQDUQBEMJ-UHFFFAOYSA-N 1 2 336.439 3.396 20 30 EGEDLO Cc1cc(Br)cn2cc(CNc3cc(C#N)ccn3)[nH+]c12 ZINC000342847806 141152268 /nfs/dbraw/zinc/15/22/68/141152268.db2.gz HJDPWLFMZFPYGW-UHFFFAOYSA-N 1 2 342.200 3.284 20 30 EGEDLO N#Cc1ccccc1Sc1ccccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000172992083 144032985 /nfs/dbraw/zinc/03/29/85/144032985.db2.gz XFNVMLZREBFZRK-UHFFFAOYSA-N 1 2 348.431 3.405 20 30 EGEDLO N#Cc1c[nH]c(C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)c1 ZINC000175388144 144063788 /nfs/dbraw/zinc/06/37/88/144063788.db2.gz CKPYHOGSUHFOFV-UHFFFAOYSA-N 1 2 331.379 3.338 20 30 EGEDLO CN(C)c1ccc2cc(NC(=O)Cc3c(F)cccc3C#N)ccc2[nH+]1 ZINC000351533157 144275145 /nfs/dbraw/zinc/27/51/45/144275145.db2.gz NCADIJNSWWDJES-UHFFFAOYSA-N 1 2 348.381 3.493 20 30 EGEDLO COC(=O)C[C@@](C)([NH2+]Cc1ccc(C#N)cc1Cl)c1ccccn1 ZINC000351825368 144312180 /nfs/dbraw/zinc/31/21/80/144312180.db2.gz YBIIAJOIDCRYIU-GOSISDBHSA-N 1 2 343.814 3.175 20 30 EGEDLO COc1cc(C#N)ccc1C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000120698689 286191924 /nfs/dbraw/zinc/19/19/24/286191924.db2.gz DGGRCCRGIOVVDZ-SFHVURJKSA-N 1 2 326.396 3.341 20 30 EGEDLO COc1cc(C#N)ccc1C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000120698689 286191925 /nfs/dbraw/zinc/19/19/25/286191925.db2.gz DGGRCCRGIOVVDZ-SFHVURJKSA-N 1 2 326.396 3.341 20 30 EGEDLO N#Cc1ccc([C@H]([NH2+]C(c2ccccc2)c2ccccc2)C(N)=O)cc1 ZINC000115531017 152018694 /nfs/dbraw/zinc/01/86/94/152018694.db2.gz DFWKCYAWAZVMEP-NRFANRHFSA-N 1 2 341.414 3.464 20 30 EGEDLO COc1cc(C#N)ccc1C[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000120535456 152282581 /nfs/dbraw/zinc/28/25/81/152282581.db2.gz IEGOGIYCOVTQQV-UHFFFAOYSA-N 1 2 332.407 3.385 20 30 EGEDLO COc1cc(C#N)ccc1C[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000120535456 152282586 /nfs/dbraw/zinc/28/25/86/152282586.db2.gz IEGOGIYCOVTQQV-UHFFFAOYSA-N 1 2 332.407 3.385 20 30 EGEDLO Cc1nsc(NCc2cn3cc(Br)ccc3[nH+]2)c1C#N ZINC000341586234 155368139 /nfs/dbraw/zinc/36/81/39/155368139.db2.gz HSPAWQGZBOAOTC-UHFFFAOYSA-N 1 2 348.229 3.346 20 30 EGEDLO Cn1cc(C[NH+]2CCN(Cc3ccc(F)cc3Cl)CC2)cc1C#N ZINC000191232532 153183691 /nfs/dbraw/zinc/18/36/91/153183691.db2.gz ZRKJLIVSVUFRAC-UHFFFAOYSA-N 1 2 346.837 3.007 20 30 EGEDLO CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000191926676 153231106 /nfs/dbraw/zinc/23/11/06/153231106.db2.gz FKUCXUMTMSCLEH-UHFFFAOYSA-N 1 2 343.427 3.490 20 30 EGEDLO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000191926676 153231109 /nfs/dbraw/zinc/23/11/09/153231109.db2.gz FKUCXUMTMSCLEH-UHFFFAOYSA-N 1 2 343.427 3.490 20 30 EGEDLO N#Cc1cccc(NC(=O)C[NH2+][C@H](c2nccs2)c2ccccc2)c1 ZINC000195043516 153375649 /nfs/dbraw/zinc/37/56/49/153375649.db2.gz HQQUOLIZEQKUJJ-SFHVURJKSA-N 1 2 348.431 3.332 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000346963985 156219067 /nfs/dbraw/zinc/21/90/67/156219067.db2.gz BDLJAEXYFPZVGN-KRWDZBQOSA-N 1 2 340.814 3.382 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000346963985 156219073 /nfs/dbraw/zinc/21/90/73/156219073.db2.gz BDLJAEXYFPZVGN-KRWDZBQOSA-N 1 2 340.814 3.382 20 30 EGEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(Cc2nc(C#N)cs2)CC1 ZINC000356306605 156638044 /nfs/dbraw/zinc/63/80/44/156638044.db2.gz RSLGRSBRAVHPIC-UHFFFAOYSA-N 1 2 346.887 3.294 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+](Cc2cccnc2)C(C)C)c(C#N)c1C ZINC000125718356 162286153 /nfs/dbraw/zinc/28/61/53/162286153.db2.gz OPEPPTBUXCIMOB-UHFFFAOYSA-N 1 2 326.400 3.012 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+](Cc2cccnc2)C(C)C)c(C#N)c1C ZINC000125718356 162286156 /nfs/dbraw/zinc/28/61/56/162286156.db2.gz OPEPPTBUXCIMOB-UHFFFAOYSA-N 1 2 326.400 3.012 20 30 EGEDLO C[C@@H]1CCC[C@H]1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000346506180 164388250 /nfs/dbraw/zinc/38/82/50/164388250.db2.gz QZJKRLGEYJXCIT-APWZRJJASA-N 1 2 325.456 3.029 20 30 EGEDLO C[N@H+](Cc1ccc(F)cc1C#N)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000360253327 167283473 /nfs/dbraw/zinc/28/34/73/167283473.db2.gz ZJOINIADSUNFQQ-LJQANCHMSA-N 1 2 337.398 3.325 20 30 EGEDLO C[N@@H+](Cc1ccc(F)cc1C#N)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000360253327 167283475 /nfs/dbraw/zinc/28/34/75/167283475.db2.gz ZJOINIADSUNFQQ-LJQANCHMSA-N 1 2 337.398 3.325 20 30 EGEDLO N#Cc1ccc(CC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1 ZINC000171728633 227253277 /nfs/dbraw/zinc/25/32/77/227253277.db2.gz KSBMKNLQPSJJOD-UHFFFAOYSA-N 1 2 348.450 3.193 20 30 EGEDLO CC(C)c1[nH+]c2ccccc2n1Cc1noc(-c2cc(C#N)c[nH]2)n1 ZINC000445662485 270052512 /nfs/dbraw/zinc/05/25/12/270052512.db2.gz BFLQPESIFCKDNP-UHFFFAOYSA-N 1 2 332.367 3.458 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)c1F ZINC000488972112 270056445 /nfs/dbraw/zinc/05/64/45/270056445.db2.gz BPAFHOWPGVWCAY-OAHLLOKOSA-N 1 2 329.350 3.275 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)c1F ZINC000488972112 270056446 /nfs/dbraw/zinc/05/64/46/270056446.db2.gz BPAFHOWPGVWCAY-OAHLLOKOSA-N 1 2 329.350 3.275 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000489024277 270056580 /nfs/dbraw/zinc/05/65/80/270056580.db2.gz DJFSUSUTKFJEJB-INIZCTEOSA-N 1 2 329.350 3.275 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000489024277 270056582 /nfs/dbraw/zinc/05/65/82/270056582.db2.gz DJFSUSUTKFJEJB-INIZCTEOSA-N 1 2 329.350 3.275 20 30 EGEDLO CCCCc1nc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000292180257 266039907 /nfs/dbraw/zinc/03/99/07/266039907.db2.gz MIPRSPYSOLVUSL-INIZCTEOSA-N 1 2 342.468 3.406 20 30 EGEDLO CCCCc1nc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000292180257 266039910 /nfs/dbraw/zinc/03/99/10/266039910.db2.gz MIPRSPYSOLVUSL-INIZCTEOSA-N 1 2 342.468 3.406 20 30 EGEDLO CCCN(Cc1ccc(C#N)cc1)c1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000502353363 267015910 /nfs/dbraw/zinc/01/59/10/267015910.db2.gz PSMFASQVUSSFHD-UHFFFAOYSA-N 1 2 338.459 3.349 20 30 EGEDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000492531456 267256235 /nfs/dbraw/zinc/25/62/35/267256235.db2.gz IZDMVJWUMUFLJE-AATRIKPKSA-N 1 2 334.301 3.445 20 30 EGEDLO Cc1cc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc[nH+]1 ZINC000285434739 267343009 /nfs/dbraw/zinc/34/30/09/267343009.db2.gz CMLAYLZRUKXEDA-UHFFFAOYSA-N 1 2 338.386 3.256 20 30 EGEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ccc(F)cc2C#N)cc1 ZINC000486443841 268046076 /nfs/dbraw/zinc/04/60/76/268046076.db2.gz IFYXKAYOTHAMQE-FQEVSTJZSA-N 1 2 339.414 3.491 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNc1nc3ccccc3c(C)c1C#N)CCC2 ZINC000450403886 268069200 /nfs/dbraw/zinc/06/92/00/268069200.db2.gz MMJKBDJJURTZKD-HNNXBMFYSA-N 1 2 331.423 3.331 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2ccc(F)c(C)c2)c(C#N)c1C ZINC000444746726 268104822 /nfs/dbraw/zinc/10/48/22/268104822.db2.gz ZCBIQYCNWOWOMT-UHFFFAOYSA-N 1 2 329.375 3.286 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+](C)Cc2ccc(F)c(C)c2)c(C#N)c1C ZINC000444746726 268104824 /nfs/dbraw/zinc/10/48/24/268104824.db2.gz ZCBIQYCNWOWOMT-UHFFFAOYSA-N 1 2 329.375 3.286 20 30 EGEDLO Cn1cc(CNc2[nH+]c3ccccc3n2-c2ccccc2)cc1C#N ZINC000446910706 268126562 /nfs/dbraw/zinc/12/65/62/268126562.db2.gz MLTLGVJBJZGIEI-UHFFFAOYSA-N 1 2 327.391 3.270 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000514947174 268221306 /nfs/dbraw/zinc/22/13/06/268221306.db2.gz PUGQOCZRVJLIFA-UHFFFAOYSA-N 1 2 346.356 3.294 20 30 EGEDLO CCn1cnnc1C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000047704140 275143276 /nfs/dbraw/zinc/14/32/76/275143276.db2.gz IABZJHQGZMJOCZ-UHFFFAOYSA-N 1 2 347.422 3.038 20 30 EGEDLO Cc1cccc2[nH+]c(CNC(=O)Nc3ccc(C#N)c(Cl)c3)cn21 ZINC000069254395 307374499 /nfs/dbraw/zinc/37/44/99/307374499.db2.gz IVDONDGCNZUTOW-UHFFFAOYSA-N 1 2 339.786 3.490 20 30 EGEDLO COc1ccc(C#N)cc1CN(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000153886810 307783382 /nfs/dbraw/zinc/78/33/82/307783382.db2.gz ATCJTLLNYSTEAE-UHFFFAOYSA-N 1 2 346.434 3.444 20 30 EGEDLO N#Cc1ccc(/C=C\C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000492321882 311237931 /nfs/dbraw/zinc/23/79/31/311237931.db2.gz KUJPBWACMHYSNO-KTKRTIGZSA-N 1 2 328.375 3.074 20 30 EGEDLO CCN(C(=O)/C=C\c1[nH+]ccn1CC)c1ccc(C#N)c(Cl)c1 ZINC000492461101 311253689 /nfs/dbraw/zinc/25/36/89/311253689.db2.gz RHXRTOTWOZLVCY-FPLPWBNLSA-N 1 2 328.803 3.494 20 30 EGEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCOC3(CCCC3)C2)c1 ZINC000492788075 311291011 /nfs/dbraw/zinc/29/10/11/311291011.db2.gz HRXSGMFTUYLKIF-UHFFFAOYSA-N 1 2 335.245 3.466 20 30 EGEDLO N#Cc1ccc(Br)c(C[N@H+]2CCOC3(CCCC3)C2)c1 ZINC000492788075 311291012 /nfs/dbraw/zinc/29/10/12/311291012.db2.gz HRXSGMFTUYLKIF-UHFFFAOYSA-N 1 2 335.245 3.466 20 30 EGEDLO N#Cc1cnc2c(F)cc(F)cc2c1NCCCCn1cc[nH+]c1 ZINC000537603838 314194200 /nfs/dbraw/zinc/19/42/00/314194200.db2.gz CSBYKGOUUFZPAW-UHFFFAOYSA-N 1 2 327.338 3.473 20 30 EGEDLO Cc1noc(-c2ccc(C)c(NCc3c[nH+]c4ccc(C#N)cn34)c2)n1 ZINC000538831549 314278515 /nfs/dbraw/zinc/27/85/15/314278515.db2.gz IJRLDOODDKMIOB-UHFFFAOYSA-N 1 2 344.378 3.485 20 30 EGEDLO N#Cc1ccncc1N1CC[NH+](C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000555685931 315397975 /nfs/dbraw/zinc/39/79/75/315397975.db2.gz LLDJBMKERMXLMZ-OWOJBTEDSA-N 1 2 340.377 3.067 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2ccc(Cl)c(C#N)c2)CC1(C)C ZINC000567191488 316580850 /nfs/dbraw/zinc/58/08/50/316580850.db2.gz JJIRTICJCJKVQT-AWEZNQCLSA-N 1 2 328.803 3.168 20 30 EGEDLO C=CCC[C@H](O)C[N@@H+]1CCO[C@@H](c2ccccc2Br)C1 ZINC000305080095 456523068 /nfs/dbraw/zinc/52/30/68/456523068.db2.gz MDVONXUUPICETJ-XJKSGUPXSA-N 1 2 340.261 3.150 20 30 EGEDLO C=CCC[C@H](O)C[N@H+]1CCO[C@@H](c2ccccc2Br)C1 ZINC000305080095 456523075 /nfs/dbraw/zinc/52/30/75/456523075.db2.gz MDVONXUUPICETJ-XJKSGUPXSA-N 1 2 340.261 3.150 20 30 EGEDLO C[C@@H](CC#N)[NH2+]Cc1ccc(I)cc1Cl ZINC000308977065 456574287 /nfs/dbraw/zinc/57/42/87/456574287.db2.gz GYMXBNNFNKTXHJ-QMMMGPOBSA-N 1 2 334.588 3.336 20 30 EGEDLO C=CCn1cc(C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)nn1 ZINC000424171178 458576547 /nfs/dbraw/zinc/57/65/47/458576547.db2.gz LKTUARACVMTTBP-UHFFFAOYSA-N 1 2 330.741 3.426 20 30 EGEDLO CCOCc1ccc(CNC(=O)C[N@H+](CCC#N)CC(C)(C)C)cc1 ZINC000264597634 455245324 /nfs/dbraw/zinc/24/53/24/455245324.db2.gz CGANPMFTUBPITD-UHFFFAOYSA-N 1 2 345.487 3.101 20 30 EGEDLO CCOCc1ccc(CNC(=O)C[N@@H+](CCC#N)CC(C)(C)C)cc1 ZINC000264597634 455245327 /nfs/dbraw/zinc/24/53/27/455245327.db2.gz CGANPMFTUBPITD-UHFFFAOYSA-N 1 2 345.487 3.101 20 30 EGEDLO CC[C@@H](CC#N)NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000183933064 455341612 /nfs/dbraw/zinc/34/16/12/455341612.db2.gz YIHMBUXZUYRXPO-AWEZNQCLSA-N 1 2 336.439 3.035 20 30 EGEDLO CC[C@@H](CC#N)NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000183933064 455341616 /nfs/dbraw/zinc/34/16/16/455341616.db2.gz YIHMBUXZUYRXPO-AWEZNQCLSA-N 1 2 336.439 3.035 20 30 EGEDLO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000007039215 453021104 /nfs/dbraw/zinc/02/11/04/453021104.db2.gz QBKQRXIEPPHSIF-QGZVFWFLSA-N 1 2 342.830 3.326 20 30 EGEDLO Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000007039215 453021113 /nfs/dbraw/zinc/02/11/13/453021113.db2.gz QBKQRXIEPPHSIF-QGZVFWFLSA-N 1 2 342.830 3.326 20 30 EGEDLO C[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccsc1 ZINC000007927112 453133101 /nfs/dbraw/zinc/13/31/01/453133101.db2.gz YQXHVQDMYFABHO-UHFFFAOYSA-N 1 2 331.466 3.434 20 30 EGEDLO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccsc1 ZINC000007927112 453133108 /nfs/dbraw/zinc/13/31/08/453133108.db2.gz YQXHVQDMYFABHO-UHFFFAOYSA-N 1 2 331.466 3.434 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591150 453614075 /nfs/dbraw/zinc/61/40/75/453614075.db2.gz MRTYDNFPMLHNTQ-WCQYABFASA-N 1 2 325.334 3.160 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591150 453614077 /nfs/dbraw/zinc/61/40/77/453614077.db2.gz MRTYDNFPMLHNTQ-WCQYABFASA-N 1 2 325.334 3.160 20 30 EGEDLO CCn1ccc(C[N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)c1 ZINC000616786124 460617814 /nfs/dbraw/zinc/61/78/14/460617814.db2.gz KHNGTPLRUBXBAS-UHFFFAOYSA-N 1 2 330.457 3.129 20 30 EGEDLO CCn1ccc(C[N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)c1 ZINC000616786124 460617821 /nfs/dbraw/zinc/61/78/21/460617821.db2.gz KHNGTPLRUBXBAS-UHFFFAOYSA-N 1 2 330.457 3.129 20 30 EGEDLO Cc1ccc([C@@H]2COCC[N@H+]2Cc2ccc(O[C@H](C)C#N)cc2)o1 ZINC000245734550 455367647 /nfs/dbraw/zinc/36/76/47/455367647.db2.gz KLZQSHCKOPVMND-QAPCUYQASA-N 1 2 326.396 3.452 20 30 EGEDLO Cc1ccc([C@@H]2COCC[N@@H+]2Cc2ccc(O[C@H](C)C#N)cc2)o1 ZINC000245734550 455367653 /nfs/dbraw/zinc/36/76/53/455367653.db2.gz KLZQSHCKOPVMND-QAPCUYQASA-N 1 2 326.396 3.452 20 30 EGEDLO CC[N@@H+](CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)C[C@@H](C)C#N ZINC000066424754 453843899 /nfs/dbraw/zinc/84/38/99/453843899.db2.gz OZPXQRUKRVIFTL-LBPRGKRZSA-N 1 2 342.270 3.433 20 30 EGEDLO CC[N@H+](CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)C[C@@H](C)C#N ZINC000066424754 453843902 /nfs/dbraw/zinc/84/39/02/453843902.db2.gz OZPXQRUKRVIFTL-LBPRGKRZSA-N 1 2 342.270 3.433 20 30 EGEDLO C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801620 453844800 /nfs/dbraw/zinc/84/48/00/453844800.db2.gz KCPVBRCZOZIBFC-AWEZNQCLSA-N 1 2 337.427 3.092 20 30 EGEDLO C[C@@H](c1nc(C2CC2)no1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801620 453844802 /nfs/dbraw/zinc/84/48/02/453844802.db2.gz KCPVBRCZOZIBFC-AWEZNQCLSA-N 1 2 337.427 3.092 20 30 EGEDLO COc1ccccc1C[N@H+](CC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000053238128 453867468 /nfs/dbraw/zinc/86/74/68/453867468.db2.gz PYGJYLKCGBNJJJ-UHFFFAOYSA-N 1 2 335.407 3.170 20 30 EGEDLO COc1ccccc1C[N@@H+](CC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000053238128 453867470 /nfs/dbraw/zinc/86/74/70/453867470.db2.gz PYGJYLKCGBNJJJ-UHFFFAOYSA-N 1 2 335.407 3.170 20 30 EGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C#Cc2ccccc2)C[C@@H](C)O1 ZINC000081554052 453885254 /nfs/dbraw/zinc/88/52/54/453885254.db2.gz PYMIQIZVWGNKHM-QZTJIDSGSA-N 1 2 348.446 3.286 20 30 EGEDLO N#CCSCC(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000053547533 453886728 /nfs/dbraw/zinc/88/67/28/453886728.db2.gz YHOHSFJKYMRJPB-UHFFFAOYSA-N 1 2 326.425 3.082 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000083171043 453941252 /nfs/dbraw/zinc/94/12/52/453941252.db2.gz KGSIEPZSICZZBG-LPHOPBHVSA-N 1 2 338.382 3.401 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000083171043 453941253 /nfs/dbraw/zinc/94/12/53/453941253.db2.gz KGSIEPZSICZZBG-LPHOPBHVSA-N 1 2 338.382 3.401 20 30 EGEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCCc3sccc3C2)C1=O ZINC000083171056 453941314 /nfs/dbraw/zinc/94/13/14/453941314.db2.gz JTZWZIFIUIHPDN-AWEZNQCLSA-N 1 2 343.477 3.235 20 30 EGEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCCc3sccc3C2)C1=O ZINC000083171056 453941316 /nfs/dbraw/zinc/94/13/16/453941316.db2.gz JTZWZIFIUIHPDN-AWEZNQCLSA-N 1 2 343.477 3.235 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)N1CCc2ccccc21 ZINC000076153334 453972196 /nfs/dbraw/zinc/97/21/96/453972196.db2.gz CJDHZIYTXIZHBB-TZIWHRDSSA-N 1 2 345.446 3.347 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)N1CCc2ccccc21 ZINC000076153334 453972200 /nfs/dbraw/zinc/97/22/00/453972200.db2.gz CJDHZIYTXIZHBB-TZIWHRDSSA-N 1 2 345.446 3.347 20 30 EGEDLO Cc1nnc(N2CCC[C@H](c3[nH]c4ccccc4[nH+]3)C2)c(C#N)c1C ZINC000043534073 454067108 /nfs/dbraw/zinc/06/71/08/454067108.db2.gz HLJSCRLNVUGMHF-AWEZNQCLSA-N 1 2 332.411 3.225 20 30 EGEDLO Cn1c2cc(F)ccc2[nH+]c1CCNc1ccc([N+](=O)[O-])cc1C#N ZINC000077209604 454075338 /nfs/dbraw/zinc/07/53/38/454075338.db2.gz GTNSJSCMJNRGAI-UHFFFAOYSA-N 1 2 339.330 3.147 20 30 EGEDLO COc1cc(C#N)ccc1OCCSc1[nH+]cc2ccccn21 ZINC000077490852 454112708 /nfs/dbraw/zinc/11/27/08/454112708.db2.gz MHYCYESKUOOGIE-UHFFFAOYSA-N 1 2 325.393 3.386 20 30 EGEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000057374757 454122482 /nfs/dbraw/zinc/12/24/82/454122482.db2.gz SAZNFIPYSVMCCN-UHFFFAOYSA-N 1 2 339.443 3.157 20 30 EGEDLO Cc1ccc(C#N)cc1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000058453210 454205674 /nfs/dbraw/zinc/20/56/74/454205674.db2.gz XKNWUMZIDQYPJW-UHFFFAOYSA-N 1 2 345.406 3.433 20 30 EGEDLO N#C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1Cl ZINC000132273485 454326030 /nfs/dbraw/zinc/32/60/30/454326030.db2.gz RAXJWMKHILTKRN-GXFFZTMASA-N 1 2 349.221 3.133 20 30 EGEDLO COCC[N@H+](CCC#N)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000072690405 454328203 /nfs/dbraw/zinc/32/82/03/454328203.db2.gz JGWBPUQDLRGZLL-UHFFFAOYSA-N 1 2 344.242 3.184 20 30 EGEDLO COCC[N@@H+](CCC#N)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000072690405 454328210 /nfs/dbraw/zinc/32/82/10/454328210.db2.gz JGWBPUQDLRGZLL-UHFFFAOYSA-N 1 2 344.242 3.184 20 30 EGEDLO CC(C)CN(C(=O)C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1)C1CC1 ZINC000072898064 454359615 /nfs/dbraw/zinc/35/96/15/454359615.db2.gz MZDVBGZMQAWQHD-PMACEKPBSA-N 1 2 339.483 3.405 20 30 EGEDLO CC(C)CN(C(=O)C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1)C1CC1 ZINC000072898064 454359620 /nfs/dbraw/zinc/35/96/20/454359620.db2.gz MZDVBGZMQAWQHD-PMACEKPBSA-N 1 2 339.483 3.405 20 30 EGEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000072972962 454373406 /nfs/dbraw/zinc/37/34/06/454373406.db2.gz VPPMKBIZOKWQCD-LLVKDONJSA-N 1 2 328.243 3.186 20 30 EGEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000072972962 454373410 /nfs/dbraw/zinc/37/34/10/454373410.db2.gz VPPMKBIZOKWQCD-LLVKDONJSA-N 1 2 328.243 3.186 20 30 EGEDLO C=CCN(CCc1ccccc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000062499225 454379180 /nfs/dbraw/zinc/37/91/80/454379180.db2.gz RZZNREVPLHJBIS-UHFFFAOYSA-N 1 2 326.444 3.104 20 30 EGEDLO C=CC[N@@H+](C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000121154188 454399209 /nfs/dbraw/zinc/39/92/09/454399209.db2.gz GPQDYGHVIHOKOM-AWEZNQCLSA-N 1 2 329.425 3.137 20 30 EGEDLO C=CC[N@H+](C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000121154188 454399215 /nfs/dbraw/zinc/39/92/15/454399215.db2.gz GPQDYGHVIHOKOM-AWEZNQCLSA-N 1 2 329.425 3.137 20 30 EGEDLO N#Cc1ccc(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)o1 ZINC000097139332 454414288 /nfs/dbraw/zinc/41/42/88/454414288.db2.gz BPAYMNHLGVFSRF-UHFFFAOYSA-N 1 2 332.407 3.149 20 30 EGEDLO Cc1nc(CC(N)=[NH+]OCC(=O)Nc2cccc(C(C)C)c2)cs1 ZINC000063456835 454415095 /nfs/dbraw/zinc/41/50/95/454415095.db2.gz MUKUVATTZLQTPA-UHFFFAOYSA-N 1 2 346.456 3.045 20 30 EGEDLO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+](CC)C[C@@H](C)C#N ZINC000098134531 454460039 /nfs/dbraw/zinc/46/00/39/454460039.db2.gz FZYWMAYKBKMQHP-DOTOQJQBSA-N 1 2 331.460 3.134 20 30 EGEDLO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+](CC)C[C@@H](C)C#N ZINC000098134531 454460045 /nfs/dbraw/zinc/46/00/45/454460045.db2.gz FZYWMAYKBKMQHP-DOTOQJQBSA-N 1 2 331.460 3.134 20 30 EGEDLO C=CC[N@H+](Cc1ccc(-c2ccccc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000092360952 454556162 /nfs/dbraw/zinc/55/61/62/454556162.db2.gz PYSQUUQONBTMJO-INIZCTEOSA-N 1 2 331.437 3.122 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(-c2ccccc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000092360952 454556166 /nfs/dbraw/zinc/55/61/66/454556166.db2.gz PYSQUUQONBTMJO-INIZCTEOSA-N 1 2 331.437 3.122 20 30 EGEDLO N#Cc1ccc(Oc2cccc(NC(=O)NCCn3cc[nH+]c3)c2)cc1 ZINC000105040168 454618126 /nfs/dbraw/zinc/61/81/26/454618126.db2.gz ANDWGJCMTUIQNG-UHFFFAOYSA-N 1 2 347.378 3.369 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000052070689 454651255 /nfs/dbraw/zinc/65/12/55/454651255.db2.gz JQFNFOZCNCRODM-MRXNPFEDSA-N 1 2 342.270 3.480 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000052070689 454651260 /nfs/dbraw/zinc/65/12/60/454651260.db2.gz JQFNFOZCNCRODM-MRXNPFEDSA-N 1 2 342.270 3.480 20 30 EGEDLO C=CCCC(=O)N(C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000105986319 454673409 /nfs/dbraw/zinc/67/34/09/454673409.db2.gz ULNZYQHBDSKAKY-UHFFFAOYSA-N 1 2 330.476 3.302 20 30 EGEDLO CC[N@H+](Cc1ccccc1Cl)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000153589088 454809908 /nfs/dbraw/zinc/80/99/08/454809908.db2.gz FBFJDILJQZIEDM-QGZVFWFLSA-N 1 2 327.815 3.260 20 30 EGEDLO CC[N@@H+](Cc1ccccc1Cl)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000153589088 454809910 /nfs/dbraw/zinc/80/99/10/454809910.db2.gz FBFJDILJQZIEDM-QGZVFWFLSA-N 1 2 327.815 3.260 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(OC2CCCC2)CC1 ZINC000177031464 454814384 /nfs/dbraw/zinc/81/43/84/454814384.db2.gz SPYPEHNQTLWFKY-IBGZPJMESA-N 1 2 342.439 3.196 20 30 EGEDLO COCC[N@H+](Cc1noc2c1CCCC2)Cc1ccc(C#N)cc1 ZINC000108857343 454815373 /nfs/dbraw/zinc/81/53/73/454815373.db2.gz JJJHUOZKXKCAON-UHFFFAOYSA-N 1 2 325.412 3.074 20 30 EGEDLO COCC[N@@H+](Cc1noc2c1CCCC2)Cc1ccc(C#N)cc1 ZINC000108857343 454815378 /nfs/dbraw/zinc/81/53/78/454815378.db2.gz JJJHUOZKXKCAON-UHFFFAOYSA-N 1 2 325.412 3.074 20 30 EGEDLO C#CCN(C(=O)NCc1cn2cc(Cl)ccc2[nH+]1)C1CCCC1 ZINC000163075218 454821000 /nfs/dbraw/zinc/82/10/00/454821000.db2.gz HCYGFIYWWVYZKD-UHFFFAOYSA-N 1 2 330.819 3.075 20 30 EGEDLO COc1ccc(C#N)cc1C[N@@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000182227718 455465917 /nfs/dbraw/zinc/46/59/17/455465917.db2.gz QAHGMIMJFGHZGJ-UHFFFAOYSA-N 1 2 341.377 3.025 20 30 EGEDLO COc1ccc(C#N)cc1C[N@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000182227718 455465923 /nfs/dbraw/zinc/46/59/23/455465923.db2.gz QAHGMIMJFGHZGJ-UHFFFAOYSA-N 1 2 341.377 3.025 20 30 EGEDLO COc1cc[nH+]cc1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000110262349 454843075 /nfs/dbraw/zinc/84/30/75/454843075.db2.gz JCIMZVGQCWIZMK-UHFFFAOYSA-N 1 2 325.368 3.150 20 30 EGEDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)s1 ZINC000185012503 455486158 /nfs/dbraw/zinc/48/61/58/455486158.db2.gz MDTDXDNGAIZUME-SNVBAGLBSA-N 1 2 334.832 3.266 20 30 EGEDLO Cc1cc2cc(CN(CCC#N)CC[NH+]3CCOCC3)oc2cc1C ZINC000154744936 454926021 /nfs/dbraw/zinc/92/60/21/454926021.db2.gz ABQJDQLPIGMPPH-UHFFFAOYSA-N 1 2 341.455 3.098 20 30 EGEDLO CC[C@@H](C#N)Sc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000127017223 454932978 /nfs/dbraw/zinc/93/29/78/454932978.db2.gz SCEFKGWBJLRQFA-HNNXBMFYSA-N 1 2 327.457 3.257 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@](C)(C#N)CCc1ccccc1 ZINC000171835311 455097981 /nfs/dbraw/zinc/09/79/81/455097981.db2.gz KUUNNWJGBHVYNI-NRFANRHFSA-N 1 2 346.434 3.376 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180494725 455182369 /nfs/dbraw/zinc/18/23/69/455182369.db2.gz OBJAELNQXYEJJO-NSHDSACASA-N 1 2 347.340 3.435 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180494725 455182373 /nfs/dbraw/zinc/18/23/73/455182373.db2.gz OBJAELNQXYEJJO-NSHDSACASA-N 1 2 347.340 3.435 20 30 EGEDLO COc1ccc(N2CC[NH+](Cc3ccc(C#N)s3)CC2)cc1F ZINC000180551175 455195257 /nfs/dbraw/zinc/19/52/57/455195257.db2.gz ITXBNIMXLIGVJD-UHFFFAOYSA-N 1 2 331.416 3.090 20 30 EGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000157524261 455204229 /nfs/dbraw/zinc/20/42/29/455204229.db2.gz FCKFPUZKEMKLQK-FQEVSTJZSA-N 1 2 338.407 3.019 20 30 EGEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000157524261 455204236 /nfs/dbraw/zinc/20/42/36/455204236.db2.gz FCKFPUZKEMKLQK-FQEVSTJZSA-N 1 2 338.407 3.019 20 30 EGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000157524412 455204245 /nfs/dbraw/zinc/20/42/45/455204245.db2.gz FCKFPUZKEMKLQK-HXUWFJFHSA-N 1 2 338.407 3.019 20 30 EGEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000157524412 455204249 /nfs/dbraw/zinc/20/42/49/455204249.db2.gz FCKFPUZKEMKLQK-HXUWFJFHSA-N 1 2 338.407 3.019 20 30 EGEDLO C=C(C)C[N@@H+](C)[C@@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 ZINC000181289590 455313686 /nfs/dbraw/zinc/31/36/86/455313686.db2.gz QHZIKXVBUMYZDV-NSHDSACASA-N 1 2 349.456 3.039 20 30 EGEDLO C=C(C)C[N@H+](C)[C@@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 ZINC000181289590 455313693 /nfs/dbraw/zinc/31/36/93/455313693.db2.gz QHZIKXVBUMYZDV-NSHDSACASA-N 1 2 349.456 3.039 20 30 EGEDLO CN(Cc1[nH+]ccn1C)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000158669701 455321019 /nfs/dbraw/zinc/32/10/19/455321019.db2.gz SPHZTSQQXBFCJB-UHFFFAOYSA-N 1 2 345.406 3.308 20 30 EGEDLO C=CCCCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000245736599 455368990 /nfs/dbraw/zinc/36/89/90/455368990.db2.gz KNSMPYBFMRTRFT-AEFFLSMTSA-N 1 2 336.863 3.184 20 30 EGEDLO C=CCCCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000245736599 455368995 /nfs/dbraw/zinc/36/89/95/455368995.db2.gz KNSMPYBFMRTRFT-AEFFLSMTSA-N 1 2 336.863 3.184 20 30 EGEDLO COc1cc(Br)c(C[NH2+]CC(C)(C)C#N)c(OC)c1 ZINC000612584934 460670038 /nfs/dbraw/zinc/67/00/38/460670038.db2.gz HKLMMAJFEUBAHA-UHFFFAOYSA-N 1 2 327.222 3.106 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CCN(C(C)=O)CC2(C)C)cc1Cl ZINC000182083308 455431896 /nfs/dbraw/zinc/43/18/96/455431896.db2.gz CHQAXOYTVOLYSE-UHFFFAOYSA-N 1 2 336.863 3.348 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CCN(C(C)=O)CC2(C)C)cc1Cl ZINC000182083308 455431898 /nfs/dbraw/zinc/43/18/98/455431898.db2.gz CHQAXOYTVOLYSE-UHFFFAOYSA-N 1 2 336.863 3.348 20 30 EGEDLO C#CCCCCC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000271348450 455606831 /nfs/dbraw/zinc/60/68/31/455606831.db2.gz FRUWXMBEUASGID-QGZVFWFLSA-N 1 2 329.831 3.473 20 30 EGEDLO C#CCOc1ccc([C@@H](C)[NH2+][C@H](CO)c2c(F)cccc2F)cc1 ZINC000271466597 455647813 /nfs/dbraw/zinc/64/78/13/455647813.db2.gz LCVZTFMTJKAOJE-FZKQIMNGSA-N 1 2 331.362 3.361 20 30 EGEDLO C=CCCCS(=O)(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000292427098 455660683 /nfs/dbraw/zinc/66/06/83/455660683.db2.gz VUHYRNGBMSOATM-UHFFFAOYSA-N 1 2 347.484 3.278 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000186158822 455706718 /nfs/dbraw/zinc/70/67/18/455706718.db2.gz IHRVDBNPXKMYGY-OAHLLOKOSA-N 1 2 342.464 3.463 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000186158822 455706725 /nfs/dbraw/zinc/70/67/25/455706725.db2.gz IHRVDBNPXKMYGY-OAHLLOKOSA-N 1 2 342.464 3.463 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000250113361 455784998 /nfs/dbraw/zinc/78/49/98/455784998.db2.gz NFHYVOGSZSXFCH-VXGBXAGGSA-N 1 2 335.835 3.038 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000250113361 455785002 /nfs/dbraw/zinc/78/50/02/455785002.db2.gz NFHYVOGSZSXFCH-VXGBXAGGSA-N 1 2 335.835 3.038 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(OC)cc1 ZINC000194273442 455822324 /nfs/dbraw/zinc/82/23/24/455822324.db2.gz RRBALVFOUKHLAG-UHFFFAOYSA-N 1 2 335.407 3.194 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(OC)cc1 ZINC000194273442 455822329 /nfs/dbraw/zinc/82/23/29/455822329.db2.gz RRBALVFOUKHLAG-UHFFFAOYSA-N 1 2 335.407 3.194 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc(S(C)(=O)=O)c1 ZINC000294897404 455830862 /nfs/dbraw/zinc/83/08/62/455830862.db2.gz RRWWJSTZGRCHGK-UHFFFAOYSA-N 1 2 345.464 3.287 20 30 EGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(S(C)(=O)=O)c1 ZINC000294897404 455830870 /nfs/dbraw/zinc/83/08/70/455830870.db2.gz RRWWJSTZGRCHGK-UHFFFAOYSA-N 1 2 345.464 3.287 20 30 EGEDLO C=C(C)[C@H](CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1)OCC ZINC000270066496 455870151 /nfs/dbraw/zinc/87/01/51/455870151.db2.gz WEEMUONDOSRLJY-FUHWJXTLSA-N 1 2 345.418 3.136 20 30 EGEDLO CC[C@]([NH2+]CCCSCC#N)(C(=O)OC)c1ccc(Cl)cc1 ZINC000285598977 455878559 /nfs/dbraw/zinc/87/85/59/455878559.db2.gz PKKBDIFOUCCAAH-MRXNPFEDSA-N 1 2 340.876 3.355 20 30 EGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000296298687 455903616 /nfs/dbraw/zinc/90/36/16/455903616.db2.gz MMRFLTORHYJJMQ-HNAYVOBHSA-N 1 2 343.496 3.427 20 30 EGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000296298684 455903659 /nfs/dbraw/zinc/90/36/59/455903659.db2.gz MMRFLTORHYJJMQ-DNVCBOLYSA-N 1 2 343.496 3.427 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)Cc1csc(N(CC)C(C)=O)n1 ZINC000272325739 455914302 /nfs/dbraw/zinc/91/43/02/455914302.db2.gz VDTZGKQYOFHLCN-UHFFFAOYSA-N 1 2 333.457 3.340 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)Cc1csc(N(CC)C(C)=O)n1 ZINC000272325739 455914306 /nfs/dbraw/zinc/91/43/06/455914306.db2.gz VDTZGKQYOFHLCN-UHFFFAOYSA-N 1 2 333.457 3.340 20 30 EGEDLO COc1ccc(O)c(/C=[NH+]/CCCOCCOCc2ccccc2)c1 ZINC000272352856 455923279 /nfs/dbraw/zinc/92/32/79/455923279.db2.gz CWJMGNYKWMJWTI-RCCKNPSSSA-N 1 2 343.423 3.443 20 30 EGEDLO C#CCOc1cccc(NC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)c1 ZINC000296765050 456031838 /nfs/dbraw/zinc/03/18/38/456031838.db2.gz VDFRQLFGOKEGEW-INIZCTEOSA-N 1 2 338.411 3.047 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1CC(=O)Nc1sccc1C#N ZINC000280714498 456036954 /nfs/dbraw/zinc/03/69/54/456036954.db2.gz BOCCQBISKWNFTM-AWEZNQCLSA-N 1 2 343.456 3.002 20 30 EGEDLO C#CCOc1ccccc1NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000296887784 456060677 /nfs/dbraw/zinc/06/06/77/456060677.db2.gz NPTZNLAFOLSUJP-MRXNPFEDSA-N 1 2 338.411 3.047 20 30 EGEDLO C=CC[C@@H](CC)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000280908981 456079080 /nfs/dbraw/zinc/07/90/80/456079080.db2.gz DEMONGRASODFSE-CVEARBPZSA-N 1 2 330.407 3.303 20 30 EGEDLO C=CCOc1ccc(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000287893082 456082055 /nfs/dbraw/zinc/08/20/55/456082055.db2.gz HAEBBFWWIABVGK-INIZCTEOSA-N 1 2 340.427 3.064 20 30 EGEDLO C=CC[C@H](CC)NC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000280929071 456085857 /nfs/dbraw/zinc/08/58/57/456085857.db2.gz FUJAHDKSKFDLKO-JKSUJKDBSA-N 1 2 330.407 3.303 20 30 EGEDLO C#C[C@@H](CC)[NH2+]Cc1ncc(Br)cc1Br ZINC000229899510 456131000 /nfs/dbraw/zinc/13/10/00/456131000.db2.gz KOZOKVZVHPICBB-VIFPVBQESA-N 1 2 332.039 3.108 20 30 EGEDLO COc1ccc(C[N@H+](C)CC(=O)OC(C)(C)C)cc1OCCCC#N ZINC000271178009 456156302 /nfs/dbraw/zinc/15/63/02/456156302.db2.gz NXGDJSWHLNFQMD-UHFFFAOYSA-N 1 2 348.443 3.151 20 30 EGEDLO COc1ccc(C[N@@H+](C)CC(=O)OC(C)(C)C)cc1OCCCC#N ZINC000271178009 456156307 /nfs/dbraw/zinc/15/63/07/456156307.db2.gz NXGDJSWHLNFQMD-UHFFFAOYSA-N 1 2 348.443 3.151 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1cc(C#N)ccc1NC1CC1 ZINC000281212450 456166472 /nfs/dbraw/zinc/16/64/72/456166472.db2.gz QQVMLBWTOUCZMI-UHFFFAOYSA-N 1 2 345.406 3.429 20 30 EGEDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000612747502 460717712 /nfs/dbraw/zinc/71/77/12/460717712.db2.gz QDCHCQKMXYMLFG-HXUWFJFHSA-N 1 2 347.462 3.469 20 30 EGEDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000612747502 460717715 /nfs/dbraw/zinc/71/77/15/460717715.db2.gz QDCHCQKMXYMLFG-HXUWFJFHSA-N 1 2 347.462 3.469 20 30 EGEDLO Cc1cnn([C@@H]2CC[N@H+](Cc3ccc(Br)cc3C#N)C2)c1 ZINC000289922672 456182297 /nfs/dbraw/zinc/18/22/97/456182297.db2.gz ORQDTOZMEMHKBL-MRXNPFEDSA-N 1 2 345.244 3.273 20 30 EGEDLO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccc(Br)cc3C#N)C2)c1 ZINC000289922672 456182307 /nfs/dbraw/zinc/18/23/07/456182307.db2.gz ORQDTOZMEMHKBL-MRXNPFEDSA-N 1 2 345.244 3.273 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)C1=O ZINC000333438898 456218638 /nfs/dbraw/zinc/21/86/38/456218638.db2.gz PEAPYZJDPUEDKA-HZPDHXFCSA-N 1 2 344.846 3.140 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)C1=O ZINC000333438898 456218640 /nfs/dbraw/zinc/21/86/40/456218640.db2.gz PEAPYZJDPUEDKA-HZPDHXFCSA-N 1 2 344.846 3.140 20 30 EGEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000273333617 456223778 /nfs/dbraw/zinc/22/37/78/456223778.db2.gz VBIOLOQXLGIUNY-LLVKDONJSA-N 1 2 347.406 3.403 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1c[nH+]cn1C ZINC000290085590 456236084 /nfs/dbraw/zinc/23/60/84/456236084.db2.gz CGNGYFOKJXCJBO-GFCCVEGCSA-N 1 2 329.429 3.136 20 30 EGEDLO NC(COc1cccc(F)c1)=[NH+]OCc1ccn(C2CCCC2)n1 ZINC000275432242 456274848 /nfs/dbraw/zinc/27/48/48/456274848.db2.gz GFVCCBLCVSCBTE-UHFFFAOYSA-N 1 2 332.379 3.005 20 30 EGEDLO N#Cc1cc(Br)ccc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000302083297 456283029 /nfs/dbraw/zinc/28/30/29/456283029.db2.gz MKVAUEIDXUOMGC-AWEZNQCLSA-N 1 2 343.228 3.407 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000281678427 456290745 /nfs/dbraw/zinc/29/07/45/456290745.db2.gz ZLNGGWXLRDBNDL-ZACQAIPSSA-N 1 2 346.475 3.121 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(CO)o1 ZINC000352798486 456318836 /nfs/dbraw/zinc/31/88/36/456318836.db2.gz KNONJEMAGBHTGI-UHFFFAOYSA-N 1 2 342.439 3.406 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(CO)o1 ZINC000352798486 456318844 /nfs/dbraw/zinc/31/88/44/456318844.db2.gz KNONJEMAGBHTGI-UHFFFAOYSA-N 1 2 342.439 3.406 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1cc(Cl)ccc1OC ZINC000337388964 456350985 /nfs/dbraw/zinc/35/09/85/456350985.db2.gz YMAFNHVOVADIET-CQSZACIVSA-N 1 2 336.863 3.370 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1cc(Cl)ccc1OC ZINC000337388964 456350988 /nfs/dbraw/zinc/35/09/88/456350988.db2.gz YMAFNHVOVADIET-CQSZACIVSA-N 1 2 336.863 3.370 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](Cc2ccco2)Cc2ccc(C)s2)C1=O ZINC000282025910 456392888 /nfs/dbraw/zinc/39/28/88/456392888.db2.gz PPNCKTCSYVHVNU-KRWDZBQOSA-N 1 2 330.453 3.439 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](Cc2ccco2)Cc2ccc(C)s2)C1=O ZINC000282025910 456392890 /nfs/dbraw/zinc/39/28/90/456392890.db2.gz PPNCKTCSYVHVNU-KRWDZBQOSA-N 1 2 330.453 3.439 20 30 EGEDLO Cc1cccc(CCNc2c(C#N)cnc3c(F)c(F)c(F)cc32)[nH+]1 ZINC000343091479 456401502 /nfs/dbraw/zinc/40/15/02/456401502.db2.gz GNHBGPHBZPUIOX-UHFFFAOYSA-N 1 2 342.324 3.304 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)C1=O ZINC000282090888 456410838 /nfs/dbraw/zinc/41/08/38/456410838.db2.gz VHBYJMMLMBVWQZ-HUUCEWRRSA-N 1 2 327.453 3.220 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2c2nc3ccccc3s2)C1=O ZINC000282090888 456410844 /nfs/dbraw/zinc/41/08/44/456410844.db2.gz VHBYJMMLMBVWQZ-HUUCEWRRSA-N 1 2 327.453 3.220 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)N1C[C@H](C)C[C@H](C)C1)Cc1cnn(C(C)C)c1 ZINC000352924277 456417190 /nfs/dbraw/zinc/41/71/90/456417190.db2.gz YXCJTRDTBXEYMG-HDICACEKSA-N 1 2 346.519 3.347 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)N1C[C@H](C)C[C@H](C)C1)Cc1cnn(C(C)C)c1 ZINC000352924277 456417196 /nfs/dbraw/zinc/41/71/96/456417196.db2.gz YXCJTRDTBXEYMG-HDICACEKSA-N 1 2 346.519 3.347 20 30 EGEDLO N#CCCCC(=O)N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000290996736 456491413 /nfs/dbraw/zinc/49/14/13/456491413.db2.gz SKGMTMFMPXHZBN-UHFFFAOYSA-N 1 2 339.361 3.043 20 30 EGEDLO N#Cc1ccnc(N2CC[NH+](CCc3c(F)cccc3Cl)CC2)c1 ZINC000343314308 456525224 /nfs/dbraw/zinc/52/52/24/456525224.db2.gz MKVQGJJXKUPNOM-UHFFFAOYSA-N 1 2 344.821 3.110 20 30 EGEDLO N#CC1(C[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)CC1 ZINC000343326453 456533408 /nfs/dbraw/zinc/53/34/08/456533408.db2.gz QIEXVQMIBUEFOI-UHFFFAOYSA-N 1 2 332.835 3.183 20 30 EGEDLO N#CC1(C[N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)CC1 ZINC000343326453 456533410 /nfs/dbraw/zinc/53/34/10/456533410.db2.gz QIEXVQMIBUEFOI-UHFFFAOYSA-N 1 2 332.835 3.183 20 30 EGEDLO N#CC1(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CCCC1 ZINC000299027169 456588423 /nfs/dbraw/zinc/58/84/23/456588423.db2.gz MQDIHZFCZWWPQA-UHFFFAOYSA-N 1 2 326.444 3.162 20 30 EGEDLO Cc1cc(Br)cn2cc(CNc3cccc(C#N)n3)[nH+]c12 ZINC000353263866 456596106 /nfs/dbraw/zinc/59/61/06/456596106.db2.gz GWQSCYZWJJAOPS-UHFFFAOYSA-N 1 2 342.200 3.284 20 30 EGEDLO Cc1sc(NC(=O)C[NH+]2CCC3(CCCC3=O)CC2)c(C#N)c1C ZINC000661957092 462487761 /nfs/dbraw/zinc/48/77/61/462487761.db2.gz AXXACOLJCDGDQQ-UHFFFAOYSA-N 1 2 345.468 3.010 20 30 EGEDLO COc1ccc(C2(C/[NH+]=C/c3cccc(O)c3O)CCOCC2)cc1 ZINC000299165008 456624329 /nfs/dbraw/zinc/62/43/29/456624329.db2.gz NLTYDJVJQIBMRO-FYJGNVAPSA-N 1 2 341.407 3.274 20 30 EGEDLO C=CCOCCCC(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000282869624 456650883 /nfs/dbraw/zinc/65/08/83/456650883.db2.gz IIQHAKOUGDOJEK-UHFFFAOYSA-N 1 2 327.428 3.050 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000277238599 456739116 /nfs/dbraw/zinc/73/91/16/456739116.db2.gz ZOLSQMABMUYXGX-GFCCVEGCSA-N 1 2 346.356 3.254 20 30 EGEDLO Cc1ccnc(N2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)c1C#N ZINC000343616527 456746879 /nfs/dbraw/zinc/74/68/79/456746879.db2.gz RYKTUYDUSSUSSV-UHFFFAOYSA-N 1 2 333.370 3.149 20 30 EGEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)c2coc(C3CCCC3)n2)CCO1 ZINC000328745063 456751524 /nfs/dbraw/zinc/75/15/24/456751524.db2.gz KSBCQACCQIGFRF-BBRMVZONSA-N 1 2 344.415 3.291 20 30 EGEDLO CC1(C)SC[C@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000328756616 456752779 /nfs/dbraw/zinc/75/27/79/456752779.db2.gz UJYQCAZXHAPOJG-OAHLLOKOSA-N 1 2 348.516 3.207 20 30 EGEDLO N#CC1(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CCC1 ZINC000328751976 456753286 /nfs/dbraw/zinc/75/32/86/456753286.db2.gz CQAUBHATFBBPTR-HNNXBMFYSA-N 1 2 343.431 3.260 20 30 EGEDLO N#CC1(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CCC1 ZINC000328751976 456753291 /nfs/dbraw/zinc/75/32/91/456753291.db2.gz CQAUBHATFBBPTR-HNNXBMFYSA-N 1 2 343.431 3.260 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(F)c(Cl)c2Cl)C1=O ZINC000343630007 456758754 /nfs/dbraw/zinc/75/87/54/456758754.db2.gz ZNYLEKAHSQAPOT-LBPRGKRZSA-N 1 2 331.218 3.351 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(F)c(Cl)c2Cl)C1=O ZINC000343630007 456758762 /nfs/dbraw/zinc/75/87/62/456758762.db2.gz ZNYLEKAHSQAPOT-LBPRGKRZSA-N 1 2 331.218 3.351 20 30 EGEDLO O=C(NC1CCCCC1)NC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000328822210 456768908 /nfs/dbraw/zinc/76/89/08/456768908.db2.gz GAYLDXAVHILWBP-UHFFFAOYSA-N 1 2 346.475 3.353 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H](C)c1c(C)nn(C)c1C)CCC2 ZINC000328843555 456773434 /nfs/dbraw/zinc/77/34/34/456773434.db2.gz UYVLGDCJSMVFAM-WFASDCNBSA-N 1 2 329.448 3.179 20 30 EGEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)C2CCCCC2)CCC(=O)N1C1CC1 ZINC000328921402 456792310 /nfs/dbraw/zinc/79/23/10/456792310.db2.gz BNKCKIHGVKPGCC-CRAIPNDOSA-N 1 2 344.459 3.151 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(C(=O)OCC)co1 ZINC000348639308 456794897 /nfs/dbraw/zinc/79/48/97/456794897.db2.gz CWUPKVMPKKRPRO-UHFFFAOYSA-N 1 2 333.384 3.120 20 30 EGEDLO CCOc1cc2c(cc1NC(=O)[C@H]1CCn3c[nH+]cc3C1)O[C@H](C)C2 ZINC000328937597 456795038 /nfs/dbraw/zinc/79/50/38/456795038.db2.gz RIHQPLWUKMXCBU-OLZOCXBDSA-N 1 2 341.411 3.456 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(C(=O)OCC)co1 ZINC000348639308 456794903 /nfs/dbraw/zinc/79/49/03/456794903.db2.gz CWUPKVMPKKRPRO-UHFFFAOYSA-N 1 2 333.384 3.120 20 30 EGEDLO O=C(C[N@@H+]1CCOCC12CCCC2)N[C@H]1CCOc2ccccc21 ZINC000328939649 456796771 /nfs/dbraw/zinc/79/67/71/456796771.db2.gz SANAAVKRDWVXFS-INIZCTEOSA-N 1 2 330.428 3.112 20 30 EGEDLO O=C(C[N@H+]1CCOCC12CCCC2)N[C@H]1CCOc2ccccc21 ZINC000328939649 456796778 /nfs/dbraw/zinc/79/67/78/456796778.db2.gz SANAAVKRDWVXFS-INIZCTEOSA-N 1 2 330.428 3.112 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1c(CC)nn(C)c1CC ZINC000348648847 456800760 /nfs/dbraw/zinc/80/07/60/456800760.db2.gz RVTITFQIEGMFLT-UHFFFAOYSA-N 1 2 331.460 3.209 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1c(CC)nn(C)c1CC ZINC000348648847 456800762 /nfs/dbraw/zinc/80/07/62/456800762.db2.gz RVTITFQIEGMFLT-UHFFFAOYSA-N 1 2 331.460 3.209 20 30 EGEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C[C@@H]1C ZINC000329011989 456813348 /nfs/dbraw/zinc/81/33/48/456813348.db2.gz ARNVZYMVZQXCEZ-QLFBSQMISA-N 1 2 332.492 3.387 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(CCCOc3ccccc3)CC2)cc1 ZINC000338979669 456885953 /nfs/dbraw/zinc/88/59/53/456885953.db2.gz ACEKIGNUMAVWSK-UHFFFAOYSA-N 1 2 335.451 3.145 20 30 EGEDLO CC[C@@H]1CCc2nc([NH+]=C([O-])N[C@@H]3CCc4[nH]c[nH+]c4C3)sc2C1 ZINC000329522057 456904030 /nfs/dbraw/zinc/90/40/30/456904030.db2.gz PFRBVWCZCNNRRV-GHMZBOCLSA-N 1 2 345.472 3.265 20 30 EGEDLO CC[C@@H]1CCc2nc([NH+]=C([O-])N[C@@H]3CCc4[nH+]c[nH]c4C3)sc2C1 ZINC000329522057 456904035 /nfs/dbraw/zinc/90/40/35/456904035.db2.gz PFRBVWCZCNNRRV-GHMZBOCLSA-N 1 2 345.472 3.265 20 30 EGEDLO O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)N1CCn2c[nH+]cc2C1 ZINC000329618782 456916728 /nfs/dbraw/zinc/91/67/28/456916728.db2.gz QPZGEBZCLRTFTR-KRWDZBQOSA-N 1 2 340.402 3.388 20 30 EGEDLO C=CCCC1(C(=O)N2CC[NH+](Cc3ccc(OCC)cc3)CC2)CC1 ZINC000353822151 456923521 /nfs/dbraw/zinc/92/35/21/456923521.db2.gz FIFJMARNNYPXNE-UHFFFAOYSA-N 1 2 342.483 3.476 20 30 EGEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@]3(C)CCO[C@H]3C)cn2c1 ZINC000329724041 456931491 /nfs/dbraw/zinc/93/14/91/456931491.db2.gz CYAVTTVVXNOJQZ-SUMWQHHRSA-N 1 2 333.457 3.400 20 30 EGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NC[C@H]1CCCCS1)C2 ZINC000329730649 456932196 /nfs/dbraw/zinc/93/21/96/456932196.db2.gz GHDKRVRHSDHKNW-CYBMUJFWSA-N 1 2 336.505 3.101 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@H]1CCCCC(=O)N1)C2 ZINC000329869276 456953226 /nfs/dbraw/zinc/95/32/26/456953226.db2.gz YOIYHKBMOFSCGZ-QWHCGFSZSA-N 1 2 332.448 3.351 20 30 EGEDLO CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)cc1 ZINC000329908071 456959521 /nfs/dbraw/zinc/95/95/21/456959521.db2.gz LLMKHPXUUUAZEG-RZQQEMMASA-N 1 2 346.471 3.146 20 30 EGEDLO CCc1ccc([C@H](C)NC(=O)C[N@H+]2CCO[C@]3(CCO[C@@H]3C)C2)cc1 ZINC000329908071 456959523 /nfs/dbraw/zinc/95/95/23/456959523.db2.gz LLMKHPXUUUAZEG-RZQQEMMASA-N 1 2 346.471 3.146 20 30 EGEDLO CCC(CC)[C@H](C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21)[NH+]1CCOCC1 ZINC000329935293 456964140 /nfs/dbraw/zinc/96/41/40/456964140.db2.gz QXOXTZNUYIYEPL-XWTMOSNGSA-N 1 2 338.492 3.038 20 30 EGEDLO CS(=O)(=O)c1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000341836323 456965109 /nfs/dbraw/zinc/96/51/09/456965109.db2.gz QMOGJBRPOCEZQV-UHFFFAOYSA-N 1 2 340.448 3.126 20 30 EGEDLO CS(=O)(=O)c1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000341836323 456965112 /nfs/dbraw/zinc/96/51/12/456965112.db2.gz QMOGJBRPOCEZQV-UHFFFAOYSA-N 1 2 340.448 3.126 20 30 EGEDLO CC1(C)C[C@@H](NC(=O)N2CCn3cc[nH+]c3C2)c2ccc(F)cc2O1 ZINC000330111409 456986371 /nfs/dbraw/zinc/98/63/71/456986371.db2.gz BAKNMJMZYAUSOJ-CQSZACIVSA-N 1 2 344.390 3.054 20 30 EGEDLO [O-]C(N[C@H]1CCSc2c(F)cccc21)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330175413 456996263 /nfs/dbraw/zinc/99/62/63/456996263.db2.gz JCESMAVEUAEXBY-RISCZKNCSA-N 1 2 346.431 3.078 20 30 EGEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000356473468 457008191 /nfs/dbraw/zinc/00/81/91/457008191.db2.gz KDAVHEJFWBVZCB-RYUDHWBXSA-N 1 2 325.359 3.097 20 30 EGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000356473468 457008197 /nfs/dbraw/zinc/00/81/97/457008197.db2.gz KDAVHEJFWBVZCB-RYUDHWBXSA-N 1 2 325.359 3.097 20 30 EGEDLO CC[C@@H]1c2ccsc2CCN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330248102 457011148 /nfs/dbraw/zinc/01/11/48/457011148.db2.gz FYHBRBFJTCWUDD-TZMCWYRMSA-N 1 2 330.457 3.183 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CC2(C1)CCCC2)c1ccccc1F ZINC000330249118 457011745 /nfs/dbraw/zinc/01/17/45/457011745.db2.gz GMOVGDPXXJZWSN-INIZCTEOSA-N 1 2 342.418 3.439 20 30 EGEDLO Cc1nc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)sc1SCC(N)=O ZINC000330250069 457013203 /nfs/dbraw/zinc/01/32/03/457013203.db2.gz GRAPTDFCCGSWLI-JTQLQIEISA-N 1 2 340.474 3.294 20 30 EGEDLO Cc1nc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)sc1SCC(N)=O ZINC000330250069 457013207 /nfs/dbraw/zinc/01/32/07/457013207.db2.gz GRAPTDFCCGSWLI-JTQLQIEISA-N 1 2 340.474 3.294 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H](C)C1CCOCC1 ZINC000330276420 457019369 /nfs/dbraw/zinc/01/93/69/457019369.db2.gz MWRUPDCPXNDDRJ-ZBFHGGJFSA-N 1 2 334.464 3.159 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000330277208 457019404 /nfs/dbraw/zinc/01/94/04/457019404.db2.gz NXTGCMPAXODSCV-CJNGLKHVSA-N 1 2 344.463 3.007 20 30 EGEDLO CCN1CCN(C(=O)Nc2cccc(SC)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330356561 457033865 /nfs/dbraw/zinc/03/38/65/457033865.db2.gz RTADTLDVWDLGEV-OAHLLOKOSA-N 1 2 345.472 3.056 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1)OCC ZINC000339362881 457068385 /nfs/dbraw/zinc/06/83/85/457068385.db2.gz XNSVWLVOQNXNGV-GOSISDBHSA-N 1 2 341.455 3.261 20 30 EGEDLO COc1ccc(C#N)cc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000346640755 457086049 /nfs/dbraw/zinc/08/60/49/457086049.db2.gz JRYYFDZXQNFNMI-UHFFFAOYSA-N 1 2 332.363 3.064 20 30 EGEDLO Cc1cc(NC(=O)N[C@H](C)C[NH+]2CCOCC2)cc(C)c1Cl ZINC000331266211 457157787 /nfs/dbraw/zinc/15/77/87/457157787.db2.gz IEODVWJXPGMROX-CYBMUJFWSA-N 1 2 325.840 3.003 20 30 EGEDLO Cn1ccnc1[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000359978110 457182540 /nfs/dbraw/zinc/18/25/40/457182540.db2.gz VZMGWYNRIFWLFJ-QGZVFWFLSA-N 1 2 339.830 3.163 20 30 EGEDLO N#CC[C@@H](CC(=O)NCc1ccc(N2CCCC2)[nH+]c1)c1ccccc1 ZINC000347027092 457197675 /nfs/dbraw/zinc/19/76/75/457197675.db2.gz UKJXLHLVJJBZRM-IBGZPJMESA-N 1 2 348.450 3.386 20 30 EGEDLO Cc1cc(NC(=O)NCC(C)(C)C#N)c[nH+]c1N1CCCC[C@@H]1C ZINC000350784110 457206240 /nfs/dbraw/zinc/20/62/40/457206240.db2.gz CMWYYESBNYQTBV-AWEZNQCLSA-N 1 2 329.448 3.440 20 30 EGEDLO C[C@@H](C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1cccc(C#N)c1 ZINC000360086887 457249265 /nfs/dbraw/zinc/24/92/65/457249265.db2.gz ZYZGXOBLVVRXHR-MRXNPFEDSA-N 1 2 348.450 3.363 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)c(F)c1 ZINC000363235796 457266761 /nfs/dbraw/zinc/26/67/61/457266761.db2.gz CIAJCXYINFGLKX-UHFFFAOYSA-N 1 2 338.382 3.498 20 30 EGEDLO Cc1cnc([C@H](C)[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)o1 ZINC000357016931 457278903 /nfs/dbraw/zinc/27/89/03/457278903.db2.gz GUUWQPDLEUKROX-HNNXBMFYSA-N 1 2 347.422 3.286 20 30 EGEDLO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000347190133 457279229 /nfs/dbraw/zinc/27/92/29/457279229.db2.gz GUWPBSSXGJTGDI-BFQNTYOBSA-N 1 2 337.261 3.302 20 30 EGEDLO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000347190133 457279236 /nfs/dbraw/zinc/27/92/36/457279236.db2.gz GUWPBSSXGJTGDI-BFQNTYOBSA-N 1 2 337.261 3.302 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1OC ZINC000354730098 457316981 /nfs/dbraw/zinc/31/69/81/457316981.db2.gz ZFKUGGAQKJGBLM-UXHICEINSA-N 1 2 329.440 3.403 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1OC ZINC000354730098 457316985 /nfs/dbraw/zinc/31/69/85/457316985.db2.gz ZFKUGGAQKJGBLM-UXHICEINSA-N 1 2 329.440 3.403 20 30 EGEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1c(C)cc[nH+]c1C ZINC000351923403 457322826 /nfs/dbraw/zinc/32/28/26/457322826.db2.gz VNTANRQJOGWKOS-UHFFFAOYSA-N 1 2 329.400 3.394 20 30 EGEDLO COCCN(C)c1ccc(/C=C/c2nc3ccccc3n2CC#N)c[nH+]1 ZINC000352006045 457329214 /nfs/dbraw/zinc/32/92/14/457329214.db2.gz GECACNXWDUCDLE-CSKARUKUSA-N 1 2 347.422 3.208 20 30 EGEDLO Cc1ccn2cc(CNC(=O)C[C@H](CC#N)c3ccccc3)[nH+]c2c1 ZINC000355032194 457338695 /nfs/dbraw/zinc/33/86/95/457338695.db2.gz ABROTJXYKDPZSW-KRWDZBQOSA-N 1 2 332.407 3.347 20 30 EGEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2sc(C)cc2C(=O)OCC)CC1 ZINC000352220515 457350292 /nfs/dbraw/zinc/35/02/92/457350292.db2.gz BQACDOPBASMJAJ-ZDUSSCGKSA-N 1 2 336.457 3.212 20 30 EGEDLO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352484925 457403910 /nfs/dbraw/zinc/40/39/10/457403910.db2.gz VKKUCCLJCXSUPN-INIZCTEOSA-N 1 2 331.435 3.140 20 30 EGEDLO COc1ccccc1[C@@H](CNc1cc(C)[nH+]cc1C#N)OC(C)C ZINC000425237510 457468746 /nfs/dbraw/zinc/46/87/46/457468746.db2.gz HJMUYOPRYIUEJN-LJQANCHMSA-N 1 2 325.412 3.270 20 30 EGEDLO Cc1cc(NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)c(C#N)c[nH+]1 ZINC000425252248 457472908 /nfs/dbraw/zinc/47/29/08/457472908.db2.gz AMTKMQMMRWVNBA-VQTJNVASSA-N 1 2 339.414 3.009 20 30 EGEDLO CCc1cc(N[C@@H]2CC[C@H](C#N)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000425278849 457480948 /nfs/dbraw/zinc/48/09/48/457480948.db2.gz ZSQHGGQQSZLMAN-SWLSCSKDSA-N 1 2 337.383 3.140 20 30 EGEDLO C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000342730338 457485358 /nfs/dbraw/zinc/48/53/58/457485358.db2.gz JUVZOQODHLYCCZ-CQSZACIVSA-N 1 2 341.411 3.003 20 30 EGEDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356215905 457540436 /nfs/dbraw/zinc/54/04/36/457540436.db2.gz KFWRRBRGRRRLKU-CQSZACIVSA-N 1 2 339.361 3.068 20 30 EGEDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356215905 457540440 /nfs/dbraw/zinc/54/04/40/457540440.db2.gz KFWRRBRGRRRLKU-CQSZACIVSA-N 1 2 339.361 3.068 20 30 EGEDLO Cc1ccc2[nH+]cc(CN3CCO[C@H](c4cccc(C#N)c4)C3)n2c1 ZINC000374282445 457566941 /nfs/dbraw/zinc/56/69/41/457566941.db2.gz HFFSXUJBMKNCPJ-IBGZPJMESA-N 1 2 332.407 3.088 20 30 EGEDLO CC(C)N1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC1=O ZINC000356393350 457601730 /nfs/dbraw/zinc/60/17/30/457601730.db2.gz RJTOKYDMRDJMHG-UHFFFAOYSA-N 1 2 333.435 3.278 20 30 EGEDLO CC(C)N1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC1=O ZINC000356393350 457601732 /nfs/dbraw/zinc/60/17/32/457601732.db2.gz RJTOKYDMRDJMHG-UHFFFAOYSA-N 1 2 333.435 3.278 20 30 EGEDLO COc1ccc(F)cc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000361177102 457630850 /nfs/dbraw/zinc/63/08/50/457630850.db2.gz GNSQWVHJFYURFW-IBGZPJMESA-N 1 2 339.414 3.217 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000410822660 457758332 /nfs/dbraw/zinc/75/83/32/457758332.db2.gz OLURFMVRQNOSJE-MRXNPFEDSA-N 1 2 330.472 3.330 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000410822660 457758340 /nfs/dbraw/zinc/75/83/40/457758340.db2.gz OLURFMVRQNOSJE-MRXNPFEDSA-N 1 2 330.472 3.330 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cccc(SCC#N)c2)C1 ZINC000365524563 457764005 /nfs/dbraw/zinc/76/40/05/457764005.db2.gz UILCHNHCJJRLNB-OAHLLOKOSA-N 1 2 340.452 3.056 20 30 EGEDLO N#CCCCOc1cccc(C[NH+]2CC(O)(c3ccc(F)cc3)C2)c1 ZINC000365670070 457769529 /nfs/dbraw/zinc/76/95/29/457769529.db2.gz DRDXYWPVYPARTO-UHFFFAOYSA-N 1 2 340.398 3.212 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+](C)CC(C)(C)C#N ZINC000433298109 457802176 /nfs/dbraw/zinc/80/21/76/457802176.db2.gz YITFKUQLYGLTCU-LLVKDONJSA-N 1 2 343.349 3.394 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+](C)CC(C)(C)C#N ZINC000433298109 457802177 /nfs/dbraw/zinc/80/21/77/457802177.db2.gz YITFKUQLYGLTCU-LLVKDONJSA-N 1 2 343.349 3.394 20 30 EGEDLO Cc1cccc2[nH+]c(CNC(=O)[C@@H](C#N)CCc3ccccc3)cn21 ZINC000433346087 457817220 /nfs/dbraw/zinc/81/72/20/457817220.db2.gz BNQQOUDUWMZZON-QGZVFWFLSA-N 1 2 332.407 3.032 20 30 EGEDLO C=CCNC(=O)c1cccc(-c2noc(CCc3c[nH+]cc(C)c3)n2)c1 ZINC000426393529 457820419 /nfs/dbraw/zinc/82/04/19/457820419.db2.gz FPBBWYOZIABSHU-UHFFFAOYSA-N 1 2 348.406 3.141 20 30 EGEDLO N#C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)c(Cl)c1 ZINC000375317670 457879102 /nfs/dbraw/zinc/87/91/02/457879102.db2.gz FWQHWMCJIXQTQD-FZMZJTMJSA-N 1 2 349.221 3.133 20 30 EGEDLO CCN(CC)C(=O)[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000361867319 457918042 /nfs/dbraw/zinc/91/80/42/457918042.db2.gz YTSOZAQYFQOLGO-LJQANCHMSA-N 1 2 339.414 3.397 20 30 EGEDLO CCc1ccc(NC(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000367056641 457926166 /nfs/dbraw/zinc/92/61/66/457926166.db2.gz AJVSTUHVIDHHDA-UHFFFAOYSA-N 1 2 348.450 3.140 20 30 EGEDLO CC(=O)Nc1ccccc1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000371464056 457944968 /nfs/dbraw/zinc/94/49/68/457944968.db2.gz NZSWKIDMOHWFTE-FQEVSTJZSA-N 1 2 335.407 3.090 20 30 EGEDLO CC(=O)Nc1ccccc1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000371464056 457944973 /nfs/dbraw/zinc/94/49/73/457944973.db2.gz NZSWKIDMOHWFTE-FQEVSTJZSA-N 1 2 335.407 3.090 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000362172386 458039278 /nfs/dbraw/zinc/03/92/78/458039278.db2.gz BVFCVYTYIQZXJO-GOSISDBHSA-N 1 2 343.471 3.278 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000362172386 458039282 /nfs/dbraw/zinc/03/92/82/458039282.db2.gz BVFCVYTYIQZXJO-GOSISDBHSA-N 1 2 343.471 3.278 20 30 EGEDLO C=CCC[C@@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccccc1 ZINC000435109309 458094459 /nfs/dbraw/zinc/09/44/59/458094459.db2.gz BKOZOPXKZCEYDR-GOSISDBHSA-N 1 2 345.487 3.104 20 30 EGEDLO C=CCC[C@@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccccc1 ZINC000435109309 458094460 /nfs/dbraw/zinc/09/44/60/458094460.db2.gz BKOZOPXKZCEYDR-GOSISDBHSA-N 1 2 345.487 3.104 20 30 EGEDLO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000435907311 458220872 /nfs/dbraw/zinc/22/08/72/458220872.db2.gz KAEOWIJFLJVXKY-HZPDHXFCSA-N 1 2 325.330 3.190 20 30 EGEDLO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000435907311 458220877 /nfs/dbraw/zinc/22/08/77/458220877.db2.gz KAEOWIJFLJVXKY-HZPDHXFCSA-N 1 2 325.330 3.190 20 30 EGEDLO C=CCC[C@@H](NC(=O)NC(C)(C)C[NH+]1CCOCC1)c1ccccc1 ZINC000413393109 458299271 /nfs/dbraw/zinc/29/92/71/458299271.db2.gz DYAWFUUIVLLVIB-GOSISDBHSA-N 1 2 345.487 3.104 20 30 EGEDLO CCc1cc(Cl)c(Cl)cc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414129583 458315511 /nfs/dbraw/zinc/31/55/11/458315511.db2.gz VFCPLCXIAJUEBP-LBPRGKRZSA-N 1 2 331.243 3.141 20 30 EGEDLO CCc1cc(Cl)c(Cl)cc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414129583 458315516 /nfs/dbraw/zinc/31/55/16/458315516.db2.gz VFCPLCXIAJUEBP-LBPRGKRZSA-N 1 2 331.243 3.141 20 30 EGEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc(Oc2ccccc2)c1 ZINC000414170544 458316113 /nfs/dbraw/zinc/31/61/13/458316113.db2.gz WHOSPWQHHPKRAZ-MRXNPFEDSA-N 1 2 326.396 3.064 20 30 EGEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc(Oc2ccccc2)c1 ZINC000414170544 458316118 /nfs/dbraw/zinc/31/61/18/458316118.db2.gz WHOSPWQHHPKRAZ-MRXNPFEDSA-N 1 2 326.396 3.064 20 30 EGEDLO C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[NH+]1Cc1ccc(F)c(C#N)c1 ZINC000429408516 458330884 /nfs/dbraw/zinc/33/08/84/458330884.db2.gz POWMSVRWYBUWPP-KBPBESRZSA-N 1 2 331.435 3.165 20 30 EGEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(c2cc(Cl)ccc2C#N)C1 ZINC000418948522 458377237 /nfs/dbraw/zinc/37/72/37/458377237.db2.gz ORUNMXYTQUXQFO-GOSISDBHSA-N 1 2 349.862 3.112 20 30 EGEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@@]3(C#N)C[C@H]3C)CC2)cc1 ZINC000448576685 458402022 /nfs/dbraw/zinc/40/20/22/458402022.db2.gz CYTYSBQYOZXIQF-OXQOHEQNSA-N 1 2 325.456 3.004 20 30 EGEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000448688940 458405201 /nfs/dbraw/zinc/40/52/01/458405201.db2.gz FPERBINBZJBMJS-MRAWALMUSA-N 1 2 349.837 3.282 20 30 EGEDLO Cc1c(C#N)c(N2CC[NH+](Cc3ccco3)CC2)nc2ccccc12 ZINC000450227576 458442700 /nfs/dbraw/zinc/44/27/00/458442700.db2.gz JRLHLTSZSNUIOJ-UHFFFAOYSA-N 1 2 332.407 3.330 20 30 EGEDLO CC(C)[C@H](NC(=O)c1cccc(C#N)c1Br)c1[nH]cc[nH+]1 ZINC000451105096 458464683 /nfs/dbraw/zinc/46/46/83/458464683.db2.gz RUFMUNQYERWPHB-ZDUSSCGKSA-N 1 2 347.216 3.171 20 30 EGEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@H]2Cc2ccccc2)C1=O ZINC000437823515 458498783 /nfs/dbraw/zinc/49/87/83/458498783.db2.gz OWIMGLILSFIUEB-IRXDYDNUSA-N 1 2 337.448 3.042 20 30 EGEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@H]2Cc2ccccc2)C1=O ZINC000437823515 458498789 /nfs/dbraw/zinc/49/87/89/458498789.db2.gz OWIMGLILSFIUEB-IRXDYDNUSA-N 1 2 337.448 3.042 20 30 EGEDLO C=C(C)CCNC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000452722786 458508142 /nfs/dbraw/zinc/50/81/42/458508142.db2.gz LDLCBKWPWVAFAJ-UHFFFAOYSA-N 1 2 339.439 3.239 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)c2[nH+]ccn21 ZINC000454312061 458557768 /nfs/dbraw/zinc/55/77/68/458557768.db2.gz CLLYTAOEPZVIFD-AAEUAGOBSA-N 1 2 326.404 3.139 20 30 EGEDLO COc1cc[nH+]c(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)c1OC ZINC000373710160 458580640 /nfs/dbraw/zinc/58/06/40/458580640.db2.gz CZMZVUYSMIATIJ-AEFFLSMTSA-N 1 2 337.423 3.371 20 30 EGEDLO COc1ccnc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1OC ZINC000373710160 458580645 /nfs/dbraw/zinc/58/06/45/458580645.db2.gz CZMZVUYSMIATIJ-AEFFLSMTSA-N 1 2 337.423 3.371 20 30 EGEDLO COc1ccnc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1OC ZINC000373710160 458580652 /nfs/dbraw/zinc/58/06/52/458580652.db2.gz CZMZVUYSMIATIJ-AEFFLSMTSA-N 1 2 337.423 3.371 20 30 EGEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000455375264 458595840 /nfs/dbraw/zinc/59/58/40/458595840.db2.gz COXFHRBPPYRJRU-QGZVFWFLSA-N 1 2 336.439 3.256 20 30 EGEDLO C=C[C@@H]1CCCCN1C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000494178452 458637453 /nfs/dbraw/zinc/63/74/53/458637453.db2.gz FPMXJRIHBKILRP-SJORKVTESA-N 1 2 342.418 3.399 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432024457 458663812 /nfs/dbraw/zinc/66/38/12/458663812.db2.gz LAKVKPUHUBYMSA-RDTXWAMCSA-N 1 2 349.425 3.500 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432024457 458663818 /nfs/dbraw/zinc/66/38/18/458663818.db2.gz LAKVKPUHUBYMSA-RDTXWAMCSA-N 1 2 349.425 3.500 20 30 EGEDLO C=CCn1c(SCc2c[nH+]cn2C)nnc1-c1ccc(OC)cc1 ZINC000439540419 458723076 /nfs/dbraw/zinc/72/30/76/458723076.db2.gz HUFUDSZKOGWENW-UHFFFAOYSA-N 1 2 341.440 3.166 20 30 EGEDLO C[C@@H](c1cccc(NC(=O)N(C)CC(C)(C)C#N)c1)[NH+]1CCOCC1 ZINC000432802429 458790013 /nfs/dbraw/zinc/79/00/13/458790013.db2.gz BZQWEGQGINAOLF-HNNXBMFYSA-N 1 2 344.459 3.093 20 30 EGEDLO CC1(C)CCCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)[C@H]1C#N ZINC000514636738 458799211 /nfs/dbraw/zinc/79/92/11/458799211.db2.gz FPNJJIFAKCMNNF-SFHVURJKSA-N 1 2 336.439 3.015 20 30 EGEDLO C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000440285639 458801356 /nfs/dbraw/zinc/80/13/56/458801356.db2.gz VLQKOJQXTAPTPG-CQSZACIVSA-N 1 2 339.395 3.283 20 30 EGEDLO C=CCCCCNC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000472843984 458809784 /nfs/dbraw/zinc/80/97/84/458809784.db2.gz DQTPJDBYYXYCHY-UHFFFAOYSA-N 1 2 345.487 3.269 20 30 EGEDLO Cc1noc([C@H]([NH2+]CC#Cc2ccccc2Cl)C2CCOCC2)n1 ZINC000551834734 458889627 /nfs/dbraw/zinc/88/96/27/458889627.db2.gz ZXUKYWCPXVZNHU-QGZVFWFLSA-N 1 2 345.830 3.140 20 30 EGEDLO CN1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)Cc2ccccc21 ZINC000441496678 458955006 /nfs/dbraw/zinc/95/50/06/458955006.db2.gz ZYIGGPFMUXMBKV-UHFFFAOYSA-N 1 2 345.406 3.060 20 30 EGEDLO CN1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)Cc2ccccc21 ZINC000441496678 458955010 /nfs/dbraw/zinc/95/50/10/458955010.db2.gz ZYIGGPFMUXMBKV-UHFFFAOYSA-N 1 2 345.406 3.060 20 30 EGEDLO Cc1ccc([C@@H]([NH2+]CCC#N)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000519760176 459000554 /nfs/dbraw/zinc/00/05/54/459000554.db2.gz OSCNQYRFCQWSDX-IBGZPJMESA-N 1 2 342.464 3.300 20 30 EGEDLO COc1c(C)[nH+]c(C2CC2)nc1NCc1ccc(C#N)c(Cl)c1 ZINC000594577696 459096226 /nfs/dbraw/zinc/09/62/26/459096226.db2.gz AMAMIPJRZJZXOX-UHFFFAOYSA-N 1 2 328.803 3.230 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cc(C#N)cs3)[C@@H]2C1 ZINC000496176341 459098167 /nfs/dbraw/zinc/09/81/67/459098167.db2.gz SUXCEODCIQICNT-UKRRQHHQSA-N 1 2 333.457 3.061 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cc(C#N)cs3)[C@@H]2C1 ZINC000496176341 459098171 /nfs/dbraw/zinc/09/81/71/459098171.db2.gz SUXCEODCIQICNT-UKRRQHHQSA-N 1 2 333.457 3.061 20 30 EGEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000521267068 459137264 /nfs/dbraw/zinc/13/72/64/459137264.db2.gz LHJVFSMUFSBEKP-SJORKVTESA-N 1 2 326.444 3.221 20 30 EGEDLO CO[C@H]1CC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC1(C)C ZINC000590757646 459206309 /nfs/dbraw/zinc/20/63/09/459206309.db2.gz DFKXCLHPSRBSFJ-IBGZPJMESA-N 1 2 338.455 3.299 20 30 EGEDLO CO[C@H]1CC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC1(C)C ZINC000590757646 459206316 /nfs/dbraw/zinc/20/63/16/459206316.db2.gz DFKXCLHPSRBSFJ-IBGZPJMESA-N 1 2 338.455 3.299 20 30 EGEDLO N#CCc1ccc(NC(=O)NCCCCn2cc[nH+]c2)c(Cl)c1 ZINC000580757714 459264653 /nfs/dbraw/zinc/26/46/53/459264653.db2.gz FFJKUSOOINPUSZ-UHFFFAOYSA-N 1 2 331.807 3.204 20 30 EGEDLO COc1ncc(Br)cc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000595291009 459267343 /nfs/dbraw/zinc/26/73/43/459267343.db2.gz VSZIKORPRJUXFJ-UHFFFAOYSA-N 1 2 346.228 3.356 20 30 EGEDLO COc1ncc(Br)cc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000595291009 459267351 /nfs/dbraw/zinc/26/73/51/459267351.db2.gz VSZIKORPRJUXFJ-UHFFFAOYSA-N 1 2 346.228 3.356 20 30 EGEDLO C[C@@H]1CCN(C(=O)C[NH2+][C@H]2CCC[C@H]2C#N)c2ccccc2S1 ZINC000590958835 459282715 /nfs/dbraw/zinc/28/27/15/459282715.db2.gz KPZFVILSDQTRAF-ILXRZTDVSA-N 1 2 329.469 3.186 20 30 EGEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC000595425553 459296698 /nfs/dbraw/zinc/29/66/98/459296698.db2.gz GEVWBMJZHAUTPY-LJQANCHMSA-N 1 2 340.402 3.074 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CCC[C@@H](CC#N)C1 ZINC000595458117 459309931 /nfs/dbraw/zinc/30/99/31/459309931.db2.gz IZIDEDKUUAGMMW-INIZCTEOSA-N 1 2 339.443 3.070 20 30 EGEDLO N#CCc1ccnc(NC(=O)CCn2c3ccccc3[nH+]c2C2CC2)c1 ZINC000539887885 459379178 /nfs/dbraw/zinc/37/91/78/459379178.db2.gz CBLYZALDZAJQNX-UHFFFAOYSA-N 1 2 345.406 3.404 20 30 EGEDLO CC1(C)CO[C@H](c2cccc(F)c2)C[N@@H+]1Cc1ccc(C#N)cn1 ZINC000595761357 459430074 /nfs/dbraw/zinc/43/00/74/459430074.db2.gz UYGHFYRFSMLNLA-SFHVURJKSA-N 1 2 325.387 3.444 20 30 EGEDLO CC1(C)CO[C@H](c2cccc(F)c2)C[N@H+]1Cc1ccc(C#N)cn1 ZINC000595761357 459430082 /nfs/dbraw/zinc/43/00/82/459430082.db2.gz UYGHFYRFSMLNLA-SFHVURJKSA-N 1 2 325.387 3.444 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1nc(N)c2ccccc2n1 ZINC000541174890 459432264 /nfs/dbraw/zinc/43/22/64/459432264.db2.gz RMTPNLGQXKYPGP-MJGOQNOKSA-N 1 2 343.434 3.314 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1nc(N)c2ccccc2n1 ZINC000541174890 459432266 /nfs/dbraw/zinc/43/22/66/459432266.db2.gz RMTPNLGQXKYPGP-MJGOQNOKSA-N 1 2 343.434 3.314 20 30 EGEDLO C[C@H](CC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)n1cc[nH+]c1 ZINC000583087082 459481044 /nfs/dbraw/zinc/48/10/44/459481044.db2.gz HHMIVIPDBAVMOU-CYBMUJFWSA-N 1 2 335.329 3.021 20 30 EGEDLO C[C@H](c1ccccc1Cl)[N@H+](CC(=O)NC1(C#N)CCC1)C1CC1 ZINC000526135487 459554249 /nfs/dbraw/zinc/55/42/49/459554249.db2.gz RBEJLFQWBWTYPV-CYBMUJFWSA-N 1 2 331.847 3.428 20 30 EGEDLO C[C@H](c1ccccc1Cl)[N@@H+](CC(=O)NC1(C#N)CCC1)C1CC1 ZINC000526135487 459554252 /nfs/dbraw/zinc/55/42/52/459554252.db2.gz RBEJLFQWBWTYPV-CYBMUJFWSA-N 1 2 331.847 3.428 20 30 EGEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000489412793 459563412 /nfs/dbraw/zinc/56/34/12/459563412.db2.gz XGDYUHGACLCQCT-FUHWJXTLSA-N 1 2 341.480 3.389 20 30 EGEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000489412793 459563415 /nfs/dbraw/zinc/56/34/15/459563415.db2.gz XGDYUHGACLCQCT-FUHWJXTLSA-N 1 2 341.480 3.389 20 30 EGEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(C)nn1-c1ccccc1F ZINC000489441265 459564238 /nfs/dbraw/zinc/56/42/38/459564238.db2.gz QSHPCUBNWCVMML-OAHLLOKOSA-N 1 2 342.418 3.299 20 30 EGEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C)nn1-c1ccccc1F ZINC000489441265 459564243 /nfs/dbraw/zinc/56/42/43/459564243.db2.gz QSHPCUBNWCVMML-OAHLLOKOSA-N 1 2 342.418 3.299 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000572732807 459583165 /nfs/dbraw/zinc/58/31/65/459583165.db2.gz PUUSQQUQPWWZOI-ZYHUDNBSSA-N 1 2 328.243 3.452 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(C(F)F)cc2)n1 ZINC000490739736 459584970 /nfs/dbraw/zinc/58/49/70/459584970.db2.gz KHMGTHXUXBREKJ-UHFFFAOYSA-N 1 2 333.382 3.103 20 30 EGEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(C(F)F)cc2)n1 ZINC000490739736 459584976 /nfs/dbraw/zinc/58/49/76/459584976.db2.gz KHMGTHXUXBREKJ-UHFFFAOYSA-N 1 2 333.382 3.103 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)/C=C\c1ccc(C#N)cc1)c1ccccc1 ZINC000490982570 459592870 /nfs/dbraw/zinc/59/28/70/459592870.db2.gz OZKCPMXMZBWAKH-DUQGCJEPSA-N 1 2 342.402 3.211 20 30 EGEDLO N#C[C@@]1(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC12CCCC2 ZINC000583792808 459596386 /nfs/dbraw/zinc/59/63/86/459596386.db2.gz VRBYWBYTNRTXBZ-HXUWFJFHSA-N 1 2 334.423 3.022 20 30 EGEDLO C#C[C@@H](NC(=O)/C=C\c1[nH+]ccn1CC)c1ccc(Cl)cc1F ZINC000491097032 459598073 /nfs/dbraw/zinc/59/80/73/459598073.db2.gz YRKLKADTFDKIBZ-ZPIQOJFGSA-N 1 2 331.778 3.199 20 30 EGEDLO COC(=O)Nc1ccc(CC[NH+]=Cc2cc(OC)ccc2O)cc1 ZINC000491519914 459633811 /nfs/dbraw/zinc/63/38/11/459633811.db2.gz VUMZTBHXNROBGO-UNOMPAQXSA-N 1 2 328.368 3.241 20 30 EGEDLO COc1c(C)c[nH+]c(CN(C)c2nc3c(cc2C#N)CCCC3)c1C ZINC000500250904 459672814 /nfs/dbraw/zinc/67/28/14/459672814.db2.gz DXRMRLSUXVZNJF-UHFFFAOYSA-N 1 2 336.439 3.489 20 30 EGEDLO CC1=C(C)C[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000584174321 459673096 /nfs/dbraw/zinc/67/30/96/459673096.db2.gz JXHBHPPWFAAQFZ-HXUWFJFHSA-N 1 2 337.467 3.339 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cccc(C(=O)C(F)(F)F)c2)n1 ZINC000491790308 459674412 /nfs/dbraw/zinc/67/44/12/459674412.db2.gz YMIHKMHPOJHFCX-UHFFFAOYSA-N 1 2 349.356 3.283 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cccc(C(=O)C(F)(F)F)c2)n1 ZINC000491790308 459674419 /nfs/dbraw/zinc/67/44/19/459674419.db2.gz YMIHKMHPOJHFCX-UHFFFAOYSA-N 1 2 349.356 3.283 20 30 EGEDLO N#Cc1ccccc1C[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000492333707 459701652 /nfs/dbraw/zinc/70/16/52/459701652.db2.gz LQQFZWLSQNOVJY-MRXNPFEDSA-N 1 2 349.203 3.283 20 30 EGEDLO C=CCN(C(=O)/C=C/c1[nH+]ccn1CC)c1nc2c(s1)CCCC2 ZINC000492486001 459706710 /nfs/dbraw/zinc/70/67/10/459706710.db2.gz BAPSSTJHHFGQRK-MDZDMXLPSA-N 1 2 342.468 3.471 20 30 EGEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000584329165 459710789 /nfs/dbraw/zinc/71/07/89/459710789.db2.gz IEULFXXZORYYLZ-RHSMWYFYSA-N 1 2 335.411 3.209 20 30 EGEDLO COc1cccc(/C=[NH+]/CCCNC(=O)/C=C\c2ccccc2)c1O ZINC000493395149 459743836 /nfs/dbraw/zinc/74/38/36/459743836.db2.gz SYUQAZJUHWOTSU-IYHLCTJLSA-N 1 2 338.407 3.039 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](CC(=O)N[C@H](C#N)C1CCCCC1)C(F)(F)F ZINC000563381562 459764861 /nfs/dbraw/zinc/76/48/61/459764861.db2.gz QNRCZPIVRXZSBW-CHWSQXEVSA-N 1 2 342.365 3.045 20 30 EGEDLO C[C@@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000584784926 459802125 /nfs/dbraw/zinc/80/21/25/459802125.db2.gz YHFZDAXFIJLANI-LRDDRELGSA-N 1 2 341.377 3.159 20 30 EGEDLO CC(C)(C)Oc1ccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1C#N ZINC000566285926 459835498 /nfs/dbraw/zinc/83/54/98/459835498.db2.gz FGZWJVDMTGIFOO-CYBMUJFWSA-N 1 2 338.411 3.133 20 30 EGEDLO CCN1CCN(c2nc3ccccc3c(C)c2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000574720270 459860837 /nfs/dbraw/zinc/86/08/37/459860837.db2.gz COSNIOSRSLQLRQ-GOSISDBHSA-N 1 2 346.438 3.021 20 30 EGEDLO N#CC1(CC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)CCCCC1 ZINC000597399923 459939696 /nfs/dbraw/zinc/93/96/96/459939696.db2.gz SDSJPZMWGONIGV-UHFFFAOYSA-N 1 2 343.446 3.334 20 30 EGEDLO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598588401 459954085 /nfs/dbraw/zinc/95/40/85/459954085.db2.gz LERGANILAOFQDA-CPUCHLNUSA-N 1 2 336.863 3.403 20 30 EGEDLO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598588401 459954089 /nfs/dbraw/zinc/95/40/89/459954089.db2.gz LERGANILAOFQDA-CPUCHLNUSA-N 1 2 336.863 3.403 20 30 EGEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccccc2Br)CC1 ZINC000609484853 459970399 /nfs/dbraw/zinc/97/03/99/459970399.db2.gz MNNLTIDUUCXPBL-INIZCTEOSA-N 1 2 336.277 3.115 20 30 EGEDLO N#C[C@@H](NC(=O)CCCn1cc[nH+]c1)c1c(Cl)cccc1Cl ZINC000609594415 459990412 /nfs/dbraw/zinc/99/04/12/459990412.db2.gz BIKAHCDEVHEBFV-CYBMUJFWSA-N 1 2 337.210 3.351 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](OC3CCC3)C2)c(C#N)c1C ZINC000594026899 460061439 /nfs/dbraw/zinc/06/14/39/460061439.db2.gz PRDVIMBRZFHNCQ-BBRMVZONSA-N 1 2 345.443 3.129 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](OC3CCC3)C2)c(C#N)c1C ZINC000594026899 460061448 /nfs/dbraw/zinc/06/14/48/460061448.db2.gz PRDVIMBRZFHNCQ-BBRMVZONSA-N 1 2 345.443 3.129 20 30 EGEDLO Cc1ccn2cc(CNc3c(C#N)cnc4c(C)cccc43)[nH+]c2c1 ZINC000610210945 460084190 /nfs/dbraw/zinc/08/41/90/460084190.db2.gz GNIFUNNNXKCJSZ-UHFFFAOYSA-N 1 2 327.391 3.405 20 30 EGEDLO C=C[C@@](C)(O)CC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000614353977 460109704 /nfs/dbraw/zinc/10/97/04/460109704.db2.gz SBRXMWLVRQBAKN-LJQANCHMSA-N 1 2 325.412 3.152 20 30 EGEDLO CCN(C(C)=O)c1nc(C[NH2+][C@H](C)c2cccc(C#N)c2)cs1 ZINC000610345150 460127180 /nfs/dbraw/zinc/12/71/80/460127180.db2.gz VCMTWKBSYGYPNO-GFCCVEGCSA-N 1 2 328.441 3.238 20 30 EGEDLO C=CC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000597994831 460139997 /nfs/dbraw/zinc/13/99/97/460139997.db2.gz LYWGKUICNFSEMB-CQSZACIVSA-N 1 2 340.383 3.209 20 30 EGEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000602863102 460162881 /nfs/dbraw/zinc/16/28/81/460162881.db2.gz NTZUPOUFPOQUBH-LBPRGKRZSA-N 1 2 339.361 3.088 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000614524364 460163430 /nfs/dbraw/zinc/16/34/30/460163430.db2.gz PNXRRMNWPXWZRK-AWEZNQCLSA-N 1 2 347.422 3.179 20 30 EGEDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH2+][C@@H](C)CC#N)cc1OC ZINC000602868214 460165563 /nfs/dbraw/zinc/16/55/63/460165563.db2.gz IDRVEHBYCYGUCK-OLZOCXBDSA-N 1 2 335.404 3.420 20 30 EGEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@H]3c3cccc(F)c3)C2=O)cc1 ZINC000610505440 460168868 /nfs/dbraw/zinc/16/88/68/460168868.db2.gz LMGWKNXFUXHQBH-RBUKOAKNSA-N 1 2 335.382 3.250 20 30 EGEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@H]3c3cccc(F)c3)C2=O)cc1 ZINC000610505440 460168876 /nfs/dbraw/zinc/16/88/76/460168876.db2.gz LMGWKNXFUXHQBH-RBUKOAKNSA-N 1 2 335.382 3.250 20 30 EGEDLO COC(=O)[C@H]([NH2+]C[C@@H]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000610580333 460188575 /nfs/dbraw/zinc/18/85/75/460188575.db2.gz MWHGKUSEDULLQW-OXQOHEQNSA-N 1 2 334.419 3.167 20 30 EGEDLO C[C@@H](CCC#N)C[N@@H+]1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F ZINC000618887529 460208233 /nfs/dbraw/zinc/20/82/33/460208233.db2.gz CIYOUTFAGJYEPF-SWLSCSKDSA-N 1 2 339.361 3.118 20 30 EGEDLO C[C@@H](CCC#N)C[N@H+]1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F ZINC000618887529 460208238 /nfs/dbraw/zinc/20/82/38/460208238.db2.gz CIYOUTFAGJYEPF-SWLSCSKDSA-N 1 2 339.361 3.118 20 30 EGEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000614992515 460259029 /nfs/dbraw/zinc/25/90/29/460259029.db2.gz FGBZIIIAANWHFU-IBGZPJMESA-N 1 2 345.368 3.486 20 30 EGEDLO N#C[C@@H]1C[N@H+](C[C@@H]2CCOc3ccccc32)CCN1Cc1ccccc1 ZINC000611249334 460316580 /nfs/dbraw/zinc/31/65/80/460316580.db2.gz GNZJIFMZXUXPTB-VQTJNVASSA-N 1 2 347.462 3.263 20 30 EGEDLO N#C[C@@H]1C[N@@H+](C[C@@H]2CCOc3ccccc32)CCN1Cc1ccccc1 ZINC000611249334 460316584 /nfs/dbraw/zinc/31/65/84/460316584.db2.gz GNZJIFMZXUXPTB-VQTJNVASSA-N 1 2 347.462 3.263 20 30 EGEDLO C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccc(C#N)c1 ZINC000611388693 460351421 /nfs/dbraw/zinc/35/14/21/460351421.db2.gz LXLDOKCGDHGRGX-LBPRGKRZSA-N 1 2 349.350 3.367 20 30 EGEDLO C[C@@H]([NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1)c1cccc(C#N)c1 ZINC000611388258 460351447 /nfs/dbraw/zinc/35/14/47/460351447.db2.gz MVOOQWYQJQUWKS-GFCCVEGCSA-N 1 2 348.362 3.188 20 30 EGEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000611552457 460395473 /nfs/dbraw/zinc/39/54/73/460395473.db2.gz YRUKOPPZFFWXNX-LJQANCHMSA-N 1 2 327.378 3.347 20 30 EGEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000611550444 460395675 /nfs/dbraw/zinc/39/56/75/460395675.db2.gz AYGLEKLKPQYLMR-LJQANCHMSA-N 1 2 327.378 3.347 20 30 EGEDLO C=CCc1cc(C[N@H+]2CCCCC[C@H]2C(=O)OC)cc(OC)c1O ZINC000611606692 460414357 /nfs/dbraw/zinc/41/43/57/460414357.db2.gz MBIPNZHBSUINRQ-INIZCTEOSA-N 1 2 333.428 3.047 20 30 EGEDLO C=CCc1cc(C[N@@H+]2CCCCC[C@H]2C(=O)OC)cc(OC)c1O ZINC000611606692 460414362 /nfs/dbraw/zinc/41/43/62/460414362.db2.gz MBIPNZHBSUINRQ-INIZCTEOSA-N 1 2 333.428 3.047 20 30 EGEDLO C=CCCOCC(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000607877905 460925161 /nfs/dbraw/zinc/92/51/61/460925161.db2.gz DOTLWWIKHCOCCM-HNNXBMFYSA-N 1 2 336.863 3.138 20 30 EGEDLO C=C(C)[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccc(F)c(F)c1 ZINC000613609828 461013853 /nfs/dbraw/zinc/01/38/53/461013853.db2.gz JVLKTZZACKEOMK-XNJGSVPQSA-N 1 2 331.366 3.235 20 30 EGEDLO C=CCOc1c(Cl)cc(C[N@H+](C)Cc2cnccn2)cc1OC ZINC000628156614 461022373 /nfs/dbraw/zinc/02/23/73/461022373.db2.gz VXAJFMOECLUDLY-UHFFFAOYSA-N 1 2 333.819 3.335 20 30 EGEDLO C=CCOc1c(Cl)cc(C[N@@H+](C)Cc2cnccn2)cc1OC ZINC000628156614 461022381 /nfs/dbraw/zinc/02/23/81/461022381.db2.gz VXAJFMOECLUDLY-UHFFFAOYSA-N 1 2 333.819 3.335 20 30 EGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000665899322 461340794 /nfs/dbraw/zinc/34/07/94/461340794.db2.gz JAOZTTARQWHVKR-MOPGFXCFSA-N 1 2 338.455 3.417 20 30 EGEDLO C=CCC(CC=C)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000634303202 461531718 /nfs/dbraw/zinc/53/17/18/461531718.db2.gz KTEXOAQJWASSNJ-UHFFFAOYSA-N 1 2 331.485 3.019 20 30 EGEDLO C=CCCn1cc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)nn1 ZINC000653505033 461682106 /nfs/dbraw/zinc/68/21/06/461682106.db2.gz WBESJNLOEDQEFY-LJQANCHMSA-N 1 2 326.444 3.035 20 30 EGEDLO C=CCCn1cc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)nn1 ZINC000653505033 461682114 /nfs/dbraw/zinc/68/21/14/461682114.db2.gz WBESJNLOEDQEFY-LJQANCHMSA-N 1 2 326.444 3.035 20 30 EGEDLO C=CCn1cc(-c2nc(Cn3c4ccccc4[nH+]c3C(C)C)no2)nn1 ZINC000647399528 461682306 /nfs/dbraw/zinc/68/23/06/461682306.db2.gz DUUBQASMSMPWRM-UHFFFAOYSA-N 1 2 349.398 3.036 20 30 EGEDLO C=CCCn1cc(C[NH2+]C2(c3cccc(Br)c3)CC2)nn1 ZINC000653604981 461755092 /nfs/dbraw/zinc/75/50/92/461755092.db2.gz BDITVYOWLQMZMP-UHFFFAOYSA-N 1 2 347.260 3.396 20 30 EGEDLO C=CCCn1cc(C[N@H+]2[C@H](C)c3ccc(OC)cc3C[C@@H]2C)nn1 ZINC000653612032 461758534 /nfs/dbraw/zinc/75/85/34/461758534.db2.gz YMNDHDZWYZQSAZ-LSDHHAIUSA-N 1 2 326.444 3.371 20 30 EGEDLO C=CCCn1cc(C[N@@H+]2[C@H](C)c3ccc(OC)cc3C[C@@H]2C)nn1 ZINC000653612032 461758541 /nfs/dbraw/zinc/75/85/41/461758541.db2.gz YMNDHDZWYZQSAZ-LSDHHAIUSA-N 1 2 326.444 3.371 20 30 EGEDLO C=CCCn1cc(C[NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)nn1 ZINC000657399925 462098370 /nfs/dbraw/zinc/09/83/70/462098370.db2.gz MZLOZUXLKWNNOX-MRXNPFEDSA-N 1 2 330.407 3.385 20 30 EGEDLO C=CC[C@@H]1CCC[N@@H+](Cc2nc3cc(S(=O)(=O)CC)ccc3o2)C1 ZINC000661380984 462225269 /nfs/dbraw/zinc/22/52/69/462225269.db2.gz SFYRCCFDVODQGP-CQSZACIVSA-N 1 2 348.468 3.410 20 30 EGEDLO C=CC[C@@H]1CCC[N@H+](Cc2nc3cc(S(=O)(=O)CC)ccc3o2)C1 ZINC000661380984 462225276 /nfs/dbraw/zinc/22/52/76/462225276.db2.gz SFYRCCFDVODQGP-CQSZACIVSA-N 1 2 348.468 3.410 20 30 EGEDLO C=C(Br)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174245245 526425760 /nfs/dbraw/zinc/42/57/60/526425760.db2.gz UGTBAROKGSPANH-UHFFFAOYSA-N 1 2 341.205 3.347 20 30 EGEDLO CC(C)COC[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccco1 ZINC000184205415 528099702 /nfs/dbraw/zinc/09/97/02/528099702.db2.gz KWIKXVSYSQYXGI-QGZVFWFLSA-N 1 2 341.411 3.093 20 30 EGEDLO CCOC(=O)C[N@H+](Cc1cc(C#N)n(C)c1)[C@H](C)c1ccccc1 ZINC000191457284 528803022 /nfs/dbraw/zinc/80/30/22/528803022.db2.gz LTUGJQIOGZTVHA-OAHLLOKOSA-N 1 2 325.412 3.023 20 30 EGEDLO CCOC(=O)C[N@@H+](Cc1cc(C#N)n(C)c1)[C@H](C)c1ccccc1 ZINC000191457284 528803027 /nfs/dbraw/zinc/80/30/27/528803027.db2.gz LTUGJQIOGZTVHA-OAHLLOKOSA-N 1 2 325.412 3.023 20 30 EGEDLO CC(C)([NH2+]Cc1ccc(C#N)cc1F)c1cn(-c2ccccc2)nn1 ZINC000344894855 535249952 /nfs/dbraw/zinc/24/99/52/535249952.db2.gz CRJSHPGMDDHXIO-UHFFFAOYSA-N 1 2 335.386 3.303 20 30 EGEDLO Cc1cc(NC(=O)N2C[C@H]3CC[C@@H](C2)O3)c[nH+]c1N1CCCC[C@H]1C ZINC000329312156 547494687 /nfs/dbraw/zinc/49/46/87/547494687.db2.gz GJSNEXOYVZSFFI-OIISXLGYSA-N 1 2 344.459 3.178 20 30 EGEDLO N#C[C@H]1CCC[C@@H]1NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000332881631 547524387 /nfs/dbraw/zinc/52/43/87/547524387.db2.gz DCHOKHQQOWSUQV-PBHICJAKSA-N 1 2 347.422 3.416 20 30 EGEDLO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000333617171 547539631 /nfs/dbraw/zinc/53/96/31/547539631.db2.gz PBIIUYXPNUKJKU-LKTVYLICSA-N 1 2 338.238 3.381 20 30 EGEDLO C=CCCOCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000683455504 550231155 /nfs/dbraw/zinc/23/11/55/550231155.db2.gz VSHOVGQMTGGFDM-UHFFFAOYSA-N 1 2 325.412 3.418 20 30 EGEDLO C#Cc1cccc(NC(=S)NN=C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000727261980 574656993 /nfs/dbraw/zinc/65/69/93/574656993.db2.gz QLPJRGMRJCNFJQ-UHFFFAOYSA-N 1 2 349.463 3.006 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCCC)c(OCCC)c1 ZINC000730104176 574919982 /nfs/dbraw/zinc/91/99/82/574919982.db2.gz JMQBCNBINRMXQY-KRWDZBQOSA-N 1 2 344.455 3.300 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCCC)c(OCCC)c1 ZINC000730104176 574919984 /nfs/dbraw/zinc/91/99/84/574919984.db2.gz JMQBCNBINRMXQY-KRWDZBQOSA-N 1 2 344.455 3.300 20 30 EGEDLO C=CCn1nnn(C[N@H+]2CCC[C@](C)(c3ccccc3)C2)c1=S ZINC000733298543 575325992 /nfs/dbraw/zinc/32/59/92/575325992.db2.gz JWNOZCYIQOXTNG-KRWDZBQOSA-N 1 2 329.473 3.006 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2CCC[C@](C)(c3ccccc3)C2)c1=S ZINC000733298543 575325994 /nfs/dbraw/zinc/32/59/94/575325994.db2.gz JWNOZCYIQOXTNG-KRWDZBQOSA-N 1 2 329.473 3.006 20 30 EGEDLO CCc1cc(NCc2ccc(OC)c(O[C@H](C#N)CC)c2)nc[nH+]1 ZINC000733302021 575326646 /nfs/dbraw/zinc/32/66/46/575326646.db2.gz HCCCGJAPXUOFNK-HNNXBMFYSA-N 1 2 326.400 3.341 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc(-c2ccc(C)s2)cs1 ZINC000734433969 575487367 /nfs/dbraw/zinc/48/73/67/575487367.db2.gz PJJHJUBTSKQEGC-ZDUSSCGKSA-N 1 2 331.466 3.216 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc(-c2ccc(C)s2)cs1 ZINC000734433969 575487370 /nfs/dbraw/zinc/48/73/70/575487370.db2.gz PJJHJUBTSKQEGC-ZDUSSCGKSA-N 1 2 331.466 3.216 20 30 EGEDLO Fc1ccc(N=NCc2c[nH+]c3ccc(Br)cn23)nc1 ZINC000735971720 575742802 /nfs/dbraw/zinc/74/28/02/575742802.db2.gz SXJHJORZANRITI-UHFFFAOYSA-N 1 2 334.152 3.077 20 30 EGEDLO CCN(CC)c1ccc(C=[NH+]Nc2ccc([N+](=O)[O-])cn2)cc1F ZINC000739411040 576408627 /nfs/dbraw/zinc/40/86/27/576408627.db2.gz CHTGWZGVHJBZEU-UHFFFAOYSA-N 1 2 331.351 3.421 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2C[C@@H](C)C[C@H]2C)c1=S ZINC000740861953 576631012 /nfs/dbraw/zinc/63/10/12/576631012.db2.gz UAGMCAHZBMUIHB-UONOGXRCSA-N 1 2 329.473 3.350 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+]2C[C@@H](C)C[C@H]2C)c1=S ZINC000740861953 576631013 /nfs/dbraw/zinc/63/10/13/576631013.db2.gz UAGMCAHZBMUIHB-UONOGXRCSA-N 1 2 329.473 3.350 20 30 EGEDLO C[NH+](C)c1ccc(N2CCC(N=Nc3nccnc3Cl)CC2)cc1 ZINC000741460428 576687979 /nfs/dbraw/zinc/68/79/79/576687979.db2.gz MWKKBDWKKRPLOM-UHFFFAOYSA-N 1 2 344.850 3.264 20 30 EGEDLO C#CC[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)Cc1ccc(F)cc1 ZINC000744208710 576823079 /nfs/dbraw/zinc/82/30/79/576823079.db2.gz DGIRSKCFSURCRK-ICSRJNTNSA-N 1 2 342.458 3.442 20 30 EGEDLO C#CC[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)Cc1ccc(F)cc1 ZINC000744208710 576823080 /nfs/dbraw/zinc/82/30/80/576823080.db2.gz DGIRSKCFSURCRK-ICSRJNTNSA-N 1 2 342.458 3.442 20 30 EGEDLO CCCCC[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022879768 1291226952 /nfs/dbraw/zinc/22/69/52/1291226952.db2.gz GOTOBVCYDQKIGP-QGZVFWFLSA-N 1 2 342.487 3.354 20 30 EGEDLO COc1c(Br)cc(C[NH2+]CCC#N)cc1Br ZINC000036325009 1291396015 /nfs/dbraw/zinc/39/60/15/1291396015.db2.gz IYOJPDHWFJYIIP-UHFFFAOYSA-N 1 2 348.038 3.223 20 30 EGEDLO C#CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@H]1CCc2ccccc21 ZINC000052845753 1291712360 /nfs/dbraw/zinc/71/23/60/1291712360.db2.gz FWBXZRMQKQIAMJ-FQEVSTJZSA-N 1 2 329.403 3.119 20 30 EGEDLO C#CC[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@H]1CCc2ccccc21 ZINC000052845753 1291712366 /nfs/dbraw/zinc/71/23/66/1291712366.db2.gz FWBXZRMQKQIAMJ-FQEVSTJZSA-N 1 2 329.403 3.119 20 30 EGEDLO COc1ccc(C(N)=[NH+]OCc2coc(-c3cccc(F)c3)n2)cc1 ZINC000054230921 1291745760 /nfs/dbraw/zinc/74/57/60/1291745760.db2.gz FRHGPPQKJJCTGV-UHFFFAOYSA-N 1 2 341.342 3.326 20 30 EGEDLO NC(Cc1ccccc1)=[NH+]OCCOc1cccc(Br)c1 ZINC000071939151 1292271832 /nfs/dbraw/zinc/27/18/32/1292271832.db2.gz SNDONBDBUYPAGU-UHFFFAOYSA-N 1 2 349.228 3.359 20 30 EGEDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000830272018 1292696715 /nfs/dbraw/zinc/69/67/15/1292696715.db2.gz YXMYEHBHSGLMJR-UAOJZALGSA-N 1 2 340.398 3.193 20 30 EGEDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000830272018 1292696725 /nfs/dbraw/zinc/69/67/25/1292696725.db2.gz YXMYEHBHSGLMJR-UAOJZALGSA-N 1 2 340.398 3.193 20 30 EGEDLO O=C(C#Cc1cccs1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000831375080 1292851266 /nfs/dbraw/zinc/85/12/66/1292851266.db2.gz JQUYFFWDCXZTJD-UHFFFAOYSA-N 1 2 339.464 3.039 20 30 EGEDLO COC(=O)c1ccc(N[NH+]=Cc2ccc(N3CCCC3)nc2)cc1F ZINC000835018751 1293188669 /nfs/dbraw/zinc/18/86/69/1293188669.db2.gz SWVDZPQZYHGBOC-UHFFFAOYSA-N 1 2 342.374 3.054 20 30 EGEDLO C=C(Br)CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000121528243 1293376080 /nfs/dbraw/zinc/37/60/80/1293376080.db2.gz LICUCWAYAVTOGW-HNNXBMFYSA-N 1 2 337.261 3.066 20 30 EGEDLO C=C(Br)CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000121528243 1293376087 /nfs/dbraw/zinc/37/60/87/1293376087.db2.gz LICUCWAYAVTOGW-HNNXBMFYSA-N 1 2 337.261 3.066 20 30 EGEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccc(N2CCOC2=O)cc1 ZINC000133181984 1293739133 /nfs/dbraw/zinc/73/91/33/1293739133.db2.gz OSLUGPMJHDJJHN-CMDGGOBGSA-N 1 2 333.347 3.187 20 30 EGEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cn1nccc1-c1cccnc1 ZINC000170638098 1294375050 /nfs/dbraw/zinc/37/50/50/1294375050.db2.gz ZHYRRAVORZMNHZ-UHFFFAOYSA-N 1 2 329.407 3.462 20 30 EGEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cn1nccc1-c1cccnc1 ZINC000170638098 1294375055 /nfs/dbraw/zinc/37/50/55/1294375055.db2.gz ZHYRRAVORZMNHZ-UHFFFAOYSA-N 1 2 329.407 3.462 20 30 EGEDLO C=CCn1c(C)nn(C[N@@H+](C)[C@H]2CC[C@@H](SCC)C2)c1=S ZINC000173486632 1294463684 /nfs/dbraw/zinc/46/36/84/1294463684.db2.gz FKMKEXYDJIKYBM-UONOGXRCSA-N 1 2 326.535 3.472 20 30 EGEDLO C=CCn1c(C)nn(C[N@H+](C)[C@H]2CC[C@@H](SCC)C2)c1=S ZINC000173486632 1294463687 /nfs/dbraw/zinc/46/36/87/1294463687.db2.gz FKMKEXYDJIKYBM-UONOGXRCSA-N 1 2 326.535 3.472 20 30 EGEDLO CCN(C(=O)CO[NH+]=C(N)c1ccccc1)[C@@H](C)c1ccc(F)cc1 ZINC000178150800 1294719159 /nfs/dbraw/zinc/71/91/59/1294719159.db2.gz AJBMLKZMCSPMEQ-AWEZNQCLSA-N 1 2 343.402 3.072 20 30 EGEDLO N#Cc1ccccc1/C=C\C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000255014586 1296488332 /nfs/dbraw/zinc/48/83/32/1296488332.db2.gz CLKJJHOERANNNX-HJWRWDBZSA-N 1 2 349.409 3.055 20 30 EGEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc(N2CCCC2=O)cc1 ZINC000255555633 1296546560 /nfs/dbraw/zinc/54/65/60/1296546560.db2.gz COUCYABBUIAPBC-KHPPLWFESA-N 1 2 331.375 3.357 20 30 EGEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCC2C(C)(C)C2(C)C)C1 ZINC000329992685 1297264344 /nfs/dbraw/zinc/26/43/44/1297264344.db2.gz KQEUXJFUTYWBRI-AWEZNQCLSA-N 1 2 332.492 3.271 20 30 EGEDLO O=[N+]([O-])c1ccc(O)c(/C=N\C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000588614995 1298092241 /nfs/dbraw/zinc/09/22/41/1298092241.db2.gz QEVSCAVZZZBEQK-DEFALTHMSA-N 1 2 339.395 3.241 20 30 EGEDLO O=[N+]([O-])c1ccc(O)c(/C=N\C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000588614995 1298092253 /nfs/dbraw/zinc/09/22/53/1298092253.db2.gz QEVSCAVZZZBEQK-DEFALTHMSA-N 1 2 339.395 3.241 20 30 EGEDLO C=CC[C@@H](NC(=O)NCCc1cn2cccc(C)c2[nH+]1)c1ccncc1 ZINC000746767678 1298656610 /nfs/dbraw/zinc/65/66/10/1298656610.db2.gz ZHVBIRSFNOFLOE-GOSISDBHSA-N 1 2 349.438 3.197 20 30 EGEDLO C=CCOc1ccc(C=CC(=O)Nc2cc(C)[nH+]cc2C)cc1OC ZINC000747112403 1298730045 /nfs/dbraw/zinc/73/00/45/1298730045.db2.gz OWZBVXSEKSOEDW-VQHVLOKHSA-N 1 2 338.407 3.346 20 30 EGEDLO CCOC(=O)N1CCC(C)(C[N@H+](CCC#N)Cc2ccco2)CC1 ZINC000876528901 1298808607 /nfs/dbraw/zinc/80/86/07/1298808607.db2.gz BGLCHNXUKKWDCB-UHFFFAOYSA-N 1 2 333.432 3.254 20 30 EGEDLO CCOC(=O)N1CCC(C)(C[N@@H+](CCC#N)Cc2ccco2)CC1 ZINC000876528901 1298808618 /nfs/dbraw/zinc/80/86/18/1298808618.db2.gz BGLCHNXUKKWDCB-UHFFFAOYSA-N 1 2 333.432 3.254 20 30 EGEDLO CO[C@@H](C)c1nc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cs1 ZINC000752267038 1299716466 /nfs/dbraw/zinc/71/64/66/1299716466.db2.gz VIYPSWUTCJWHAK-OLZOCXBDSA-N 1 2 331.441 3.431 20 30 EGEDLO C#C[C@](C)(CC)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000878301153 1299902844 /nfs/dbraw/zinc/90/28/44/1299902844.db2.gz LBCPUWPKBMKXEP-JXXFODFXSA-N 1 2 343.471 3.219 20 30 EGEDLO C=CC(C)(C)CC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000878974505 1300296506 /nfs/dbraw/zinc/29/65/06/1300296506.db2.gz FJSQZTKPYBALAY-UHFFFAOYSA-N 1 2 329.488 3.440 20 30 EGEDLO CN(C)c1ncc(C=[NH+]NCc2ccc(Br)cc2)s1 ZINC000755682769 1300377830 /nfs/dbraw/zinc/37/78/30/1300377830.db2.gz KNHJABVDIUFOIR-UHFFFAOYSA-N 1 2 339.262 3.095 20 30 EGEDLO N#Cc1cccn(C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)c1=O ZINC000758183597 1300803662 /nfs/dbraw/zinc/80/36/62/1300803662.db2.gz BIJQPXWPMQGRPG-UHFFFAOYSA-N 1 2 347.340 3.361 20 30 EGEDLO N#Cc1cccn(C[N@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)c1=O ZINC000758183597 1300803670 /nfs/dbraw/zinc/80/36/70/1300803670.db2.gz BIJQPXWPMQGRPG-UHFFFAOYSA-N 1 2 347.340 3.361 20 30 EGEDLO COc1cc([N+](=O)[O-])ccc1N[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000758375306 1300864703 /nfs/dbraw/zinc/86/47/03/1300864703.db2.gz QDVPXIJOTFWHGI-UHFFFAOYSA-N 1 2 341.371 3.045 20 30 EGEDLO COc1cc(F)ccc1N[NH+]=Cc1ccc(N2CCOCC2)s1 ZINC000761890994 1301562676 /nfs/dbraw/zinc/56/26/76/1301562676.db2.gz RWUSINDGFFRXGZ-UHFFFAOYSA-N 1 2 335.404 3.178 20 30 EGEDLO C#CC[N@@H+](CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)C1CC1 ZINC000763951606 1301987008 /nfs/dbraw/zinc/98/70/08/1301987008.db2.gz YRUIWPYTRCLSOG-FQEVSTJZSA-N 1 2 328.431 3.271 20 30 EGEDLO C#CC[N@H+](CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)C1CC1 ZINC000763951606 1301987012 /nfs/dbraw/zinc/98/70/12/1301987012.db2.gz YRUIWPYTRCLSOG-FQEVSTJZSA-N 1 2 328.431 3.271 20 30 EGEDLO O=[N+]([O-])c1cc(C=[NH+]OCC(F)(F)F)ccc1N1CCCCC1 ZINC000764834409 1302145369 /nfs/dbraw/zinc/14/53/69/1302145369.db2.gz CBQUYQSKLMXJHH-UHFFFAOYSA-N 1 2 331.294 3.498 20 30 EGEDLO C#CCOc1ccc(COC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000765138808 1302210095 /nfs/dbraw/zinc/21/00/95/1302210095.db2.gz RZZVEHZNUULGSP-UHFFFAOYSA-N 1 2 346.386 3.300 20 30 EGEDLO N#Cc1ccc(CN2CC[NH+](Cc3c(O)cccc3Cl)CC2)cc1 ZINC000768185169 1302848407 /nfs/dbraw/zinc/84/84/07/1302848407.db2.gz NNZISRQJMKGHLQ-UHFFFAOYSA-N 1 2 341.842 3.235 20 30 EGEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000768427692 1302898872 /nfs/dbraw/zinc/89/88/72/1302898872.db2.gz YFHPWBDFPMTNHQ-FQEVSTJZSA-N 1 2 325.383 3.411 20 30 EGEDLO C#CCOc1ccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000768427692 1302898878 /nfs/dbraw/zinc/89/88/78/1302898878.db2.gz YFHPWBDFPMTNHQ-FQEVSTJZSA-N 1 2 325.383 3.411 20 30 EGEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000769306688 1303089891 /nfs/dbraw/zinc/08/98/91/1303089891.db2.gz BTDUHRQYOVSVHZ-FQEVSTJZSA-N 1 2 325.383 3.411 20 30 EGEDLO C#CCOc1ccc(C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000769306688 1303089893 /nfs/dbraw/zinc/08/98/93/1303089893.db2.gz BTDUHRQYOVSVHZ-FQEVSTJZSA-N 1 2 325.383 3.411 20 30 EGEDLO CC(C)c1[nH+]c(C=NN2CCc3ccccc3C2=O)c2ccccn21 ZINC000769593060 1303144765 /nfs/dbraw/zinc/14/47/65/1303144765.db2.gz MCLUSYIFYIGMQF-UHFFFAOYSA-N 1 2 332.407 3.490 20 30 EGEDLO CC1(C)C(=O)Nc2ccc(C(=O)/C=C\c3cccc4[nH+]ccn43)cc21 ZINC000769608660 1303146723 /nfs/dbraw/zinc/14/67/23/1303146723.db2.gz FESXAOVENYSDJJ-CLFYSBASSA-N 1 2 331.375 3.460 20 30 EGEDLO Brc1cc(N=NC2CCN(c3cccc[nH+]3)CC2)ccn1 ZINC000769803405 1303177173 /nfs/dbraw/zinc/17/71/73/1303177173.db2.gz BPRLLYJHDJLHOR-UHFFFAOYSA-N 1 2 346.232 3.307 20 30 EGEDLO C#CCCOc1ccc(C[N@@H+]2CCN(CC(F)(F)F)[C@H](C)C2)cc1 ZINC000770390868 1303260439 /nfs/dbraw/zinc/26/04/39/1303260439.db2.gz LXVATJGSSNLJCQ-OAHLLOKOSA-N 1 2 340.389 3.157 20 30 EGEDLO C#CCCOc1ccc(C[N@H+]2CCN(CC(F)(F)F)[C@H](C)C2)cc1 ZINC000770390868 1303260443 /nfs/dbraw/zinc/26/04/43/1303260443.db2.gz LXVATJGSSNLJCQ-OAHLLOKOSA-N 1 2 340.389 3.157 20 30 EGEDLO O=C1c2cccc3cccc(c32)C(=O)N1N=Cc1cccc2[nH+]ccn21 ZINC000771088639 1303358891 /nfs/dbraw/zinc/35/88/91/1303358891.db2.gz NWUNYTOZUOZFEU-UHFFFAOYSA-N 1 2 340.342 3.118 20 30 EGEDLO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@@H+]1Cc1cccc(C#N)c1 ZINC000772328459 1303519826 /nfs/dbraw/zinc/51/98/26/1303519826.db2.gz DRRRQNVUUKMVOP-CABCVRRESA-N 1 2 329.444 3.388 20 30 EGEDLO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@H+]1Cc1cccc(C#N)c1 ZINC000772328459 1303519827 /nfs/dbraw/zinc/51/98/27/1303519827.db2.gz DRRRQNVUUKMVOP-CABCVRRESA-N 1 2 329.444 3.388 20 30 EGEDLO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1=S ZINC000773268858 1303652600 /nfs/dbraw/zinc/65/26/00/1303652600.db2.gz XBGMWXGYKXCOQV-HOTGVXAUSA-N 1 2 336.505 3.005 20 30 EGEDLO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1=S ZINC000773268858 1303652602 /nfs/dbraw/zinc/65/26/02/1303652602.db2.gz XBGMWXGYKXCOQV-HOTGVXAUSA-N 1 2 336.505 3.005 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1csc(-c2ccc(OC)cc2)n1)[C@H]1CCCO1 ZINC000775340904 1303942829 /nfs/dbraw/zinc/94/28/29/1303942829.db2.gz JJWXMKILAUCVJT-IAGOWNOFSA-N 1 2 328.437 3.089 20 30 EGEDLO C#C[C@H]([NH2+]Cc1c(C)nn(-c2ccccc2)c1Cl)[C@H]1CCCO1 ZINC000775793128 1304037768 /nfs/dbraw/zinc/03/77/68/1304037768.db2.gz VKOGTILFICAEDE-DLBZAZTESA-N 1 2 329.831 3.105 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1csc(-c2cccc(OC)c2)n1)[C@H]1CCCO1 ZINC000775789121 1304037955 /nfs/dbraw/zinc/03/79/55/1304037955.db2.gz AUMDIJPQBJYOQZ-IAGOWNOFSA-N 1 2 328.437 3.089 20 30 EGEDLO C#C[C@H]([NH2+]Cc1c(C)nn(Cc2ccccc2)c1Cl)[C@@H]1CCCO1 ZINC000775798039 1304039090 /nfs/dbraw/zinc/03/90/90/1304039090.db2.gz HKHOOTAQIXZLMO-ROUUACIJSA-N 1 2 343.858 3.164 20 30 EGEDLO C#C[C@H]([NH2+]Cc1nc(-c2c(F)cccc2F)cs1)[C@@H]1CCCO1 ZINC000775795357 1304039239 /nfs/dbraw/zinc/03/92/39/1304039239.db2.gz WLLYEGIATJSOKK-ZFWWWQNUSA-N 1 2 334.391 3.359 20 30 EGEDLO N#Cc1ccc(F)c(NC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000888352572 1304127403 /nfs/dbraw/zinc/12/74/03/1304127403.db2.gz XZZJYWKFTGPQBY-UHFFFAOYSA-N 1 2 344.415 3.109 20 30 EGEDLO C#CCCCCCC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000779922118 1304622328 /nfs/dbraw/zinc/62/23/28/1304622328.db2.gz GUIRJWUTCDHTMN-UHFFFAOYSA-N 1 2 341.499 3.421 20 30 EGEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1C[C@@](C)(C2CCCC2)CC1=O ZINC000780424420 1304689603 /nfs/dbraw/zinc/68/96/03/1304689603.db2.gz CBVQSXDTXXNNCO-FQEVSTJZSA-N 1 2 325.456 3.376 20 30 EGEDLO C[N@H+](Cc1cccc(C#N)c1)CN1C[C@@](C)(C2CCCC2)CC1=O ZINC000780424420 1304689609 /nfs/dbraw/zinc/68/96/09/1304689609.db2.gz CBVQSXDTXXNNCO-FQEVSTJZSA-N 1 2 325.456 3.376 20 30 EGEDLO CC(C)n1ccc(CO[NH+]=C(N)c2ccc(Br)cc2)n1 ZINC000782950031 1305027993 /nfs/dbraw/zinc/02/79/93/1305027993.db2.gz QGSZKFKXLFYSFI-UHFFFAOYSA-N 1 2 337.221 3.064 20 30 EGEDLO N#Cc1cccc(CO[NH+]=C(N)c2ccc(Br)cc2)c1 ZINC000782949236 1305028003 /nfs/dbraw/zinc/02/80/03/1305028003.db2.gz DURJXBBLFREILZ-UHFFFAOYSA-N 1 2 330.185 3.158 20 30 EGEDLO N#Cc1ccc(C[NH2+]Cc2cn(-c3ccc(F)c(Cl)c3)nn2)cc1 ZINC000782952166 1305029058 /nfs/dbraw/zinc/02/90/58/1305029058.db2.gz JVBWVQGYHBOYGD-UHFFFAOYSA-N 1 2 341.777 3.221 20 30 EGEDLO C=CCCCCCOC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000783501336 1305099804 /nfs/dbraw/zinc/09/98/04/1305099804.db2.gz QGUPTNJZVCRZCP-IBGZPJMESA-N 1 2 331.456 3.474 20 30 EGEDLO N#CCc1ccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000784163093 1305199858 /nfs/dbraw/zinc/19/98/58/1305199858.db2.gz ZSXNYUITOWJBDG-MSOLQXFVSA-N 1 2 342.464 3.139 20 30 EGEDLO N#CCc1ccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000784163093 1305199861 /nfs/dbraw/zinc/19/98/61/1305199861.db2.gz ZSXNYUITOWJBDG-MSOLQXFVSA-N 1 2 342.464 3.139 20 30 EGEDLO Cc1cc(=O)oc2cc(OCC[N@@H+]3CCC[C@](C)(C#N)C3)ccc12 ZINC000784451528 1305245601 /nfs/dbraw/zinc/24/56/01/1305245601.db2.gz HLWUEURSYDOAOV-LJQANCHMSA-N 1 2 326.396 3.106 20 30 EGEDLO Cc1cc(=O)oc2cc(OCC[N@H+]3CCC[C@](C)(C#N)C3)ccc12 ZINC000784451528 1305245606 /nfs/dbraw/zinc/24/56/06/1305245606.db2.gz HLWUEURSYDOAOV-LJQANCHMSA-N 1 2 326.396 3.106 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3ccc4c(c3)CCCO4)CCO2)c1 ZINC000892245260 1305294015 /nfs/dbraw/zinc/29/40/15/1305294015.db2.gz TVIOFZHVGOJDAH-OAQYLSRUSA-N 1 2 334.419 3.457 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccc4c(c3)CCCO4)CCO2)c1 ZINC000892245260 1305294020 /nfs/dbraw/zinc/29/40/20/1305294020.db2.gz TVIOFZHVGOJDAH-OAQYLSRUSA-N 1 2 334.419 3.457 20 30 EGEDLO C#CCC1(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)CCCCC1 ZINC000788512913 1305960863 /nfs/dbraw/zinc/96/08/63/1305960863.db2.gz VJRMPVXNXZNBOG-UHFFFAOYSA-N 1 2 326.431 3.148 20 30 EGEDLO C#CCC1(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)CCCCC1 ZINC000788512913 1305960872 /nfs/dbraw/zinc/96/08/72/1305960872.db2.gz VJRMPVXNXZNBOG-UHFFFAOYSA-N 1 2 326.431 3.148 20 30 EGEDLO C#CC[N@@H+](C)CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000792305815 1309157847 /nfs/dbraw/zinc/15/78/47/1309157847.db2.gz JXZVRLGHNZGQFD-OAHLLOKOSA-N 1 2 325.239 3.222 20 30 EGEDLO C#CC[N@H+](C)CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000792305815 1309157851 /nfs/dbraw/zinc/15/78/51/1309157851.db2.gz JXZVRLGHNZGQFD-OAHLLOKOSA-N 1 2 325.239 3.222 20 30 EGEDLO CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+]CC1(C#N)CCC1 ZINC000895024411 1309162812 /nfs/dbraw/zinc/16/28/12/1309162812.db2.gz AUNQYSJVFDATNC-UHFFFAOYSA-N 1 2 325.412 3.437 20 30 EGEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1nnc(-c2ccccc2)n1C ZINC000792629397 1309200423 /nfs/dbraw/zinc/20/04/23/1309200423.db2.gz LFKGUTAQWSSMRM-UHFFFAOYSA-N 1 2 346.438 3.286 20 30 EGEDLO Cc1cccc([C@@H]2CCC[N@H+]2Cn2nc(CC#N)n(C)c2=S)c1 ZINC000794620552 1309556673 /nfs/dbraw/zinc/55/66/73/1309556673.db2.gz KESBNHDUTZBMLP-HNNXBMFYSA-N 1 2 327.457 3.120 20 30 EGEDLO Cc1cccc([C@@H]2CCC[N@@H+]2Cn2nc(CC#N)n(C)c2=S)c1 ZINC000794620552 1309556678 /nfs/dbraw/zinc/55/66/78/1309556678.db2.gz KESBNHDUTZBMLP-HNNXBMFYSA-N 1 2 327.457 3.120 20 30 EGEDLO COC(=O)c1csc(C(=O)/C=C/c2c[nH+]c3ccc(C)cn23)c1 ZINC000794725464 1309582716 /nfs/dbraw/zinc/58/27/16/1309582716.db2.gz XUFVRIWKIUBVAZ-SNAWJCMRSA-N 1 2 326.377 3.387 20 30 EGEDLO Cc1cc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)c(C)n1-c1ccc(C#N)cc1 ZINC000896919920 1310084849 /nfs/dbraw/zinc/08/48/49/1310084849.db2.gz FDCDUTJWUNPPJP-UHFFFAOYSA-N 1 2 347.422 3.236 20 30 EGEDLO Cc1cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)ccc1Cl ZINC000798276193 1310334322 /nfs/dbraw/zinc/33/43/22/1310334322.db2.gz ZJLUHMXEMQYAKH-GOEBONIOSA-N 1 2 349.862 3.497 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H]3CCC4(CCCC4)O3)CCO2)c1 ZINC000801525830 1310955435 /nfs/dbraw/zinc/95/54/35/1310955435.db2.gz OYBMHLBDWADTJS-OALUTQOASA-N 1 2 326.440 3.423 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H]3CCC4(CCCC4)O3)CCO2)c1 ZINC000801525830 1310955446 /nfs/dbraw/zinc/95/54/46/1310955446.db2.gz OYBMHLBDWADTJS-OALUTQOASA-N 1 2 326.440 3.423 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000827203471 1320433041 /nfs/dbraw/zinc/43/30/41/1320433041.db2.gz CJHXCFHVLLSEOA-MRXNPFEDSA-N 1 2 336.838 3.219 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000827203471 1320433044 /nfs/dbraw/zinc/43/30/44/1320433044.db2.gz CJHXCFHVLLSEOA-MRXNPFEDSA-N 1 2 336.838 3.219 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]([NH2+]Cc2ncc(C(C)(C)C)o2)C1 ZINC001019334098 1317174760 /nfs/dbraw/zinc/17/47/60/1317174760.db2.gz KGKBRHIKJBFXKU-IFXJQAMLSA-N 1 2 333.476 3.265 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([NH2+]Cc2ncc(C(C)(C)C)o2)C1 ZINC001019334099 1317174926 /nfs/dbraw/zinc/17/49/26/1317174926.db2.gz KGKBRHIKJBFXKU-LIRRHRJNSA-N 1 2 333.476 3.265 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(OCC3CC3)cc2)C1 ZINC000957394631 1317331832 /nfs/dbraw/zinc/33/18/32/1317331832.db2.gz JEXPDVSEUVDSRA-UHFFFAOYSA-N 1 2 328.456 3.198 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2c[nH]c3c2cccc3CC)C1 ZINC000957425884 1317349671 /nfs/dbraw/zinc/34/96/71/1317349671.db2.gz KTRHUDLQHWPOBG-UHFFFAOYSA-N 1 2 325.456 3.453 20 30 EGEDLO CCOC(=O)c1oc2c(c1C)C(=O)/C(=C\c1c[nH+]cn1CC)CC2 ZINC000901457632 1317429479 /nfs/dbraw/zinc/42/94/79/1317429479.db2.gz OAXXOXVSIZOUIS-WQLSENKSSA-N 1 2 328.368 3.194 20 30 EGEDLO CC(C)n1c[nH+]cc1C=CC(=O)c1ccc(C(F)(F)F)[nH]c1=O ZINC000901457608 1317429610 /nfs/dbraw/zinc/42/96/10/1317429610.db2.gz NKDXYVPVSNEGJN-HWKANZROSA-N 1 2 325.290 3.480 20 30 EGEDLO N#CCCCOc1ccc[nH+]c1NCc1cn(Cc2ccccc2)nn1 ZINC000902068093 1317516163 /nfs/dbraw/zinc/51/61/63/1317516163.db2.gz TVAZYOLPPPIJMZ-UHFFFAOYSA-N 1 2 348.410 3.016 20 30 EGEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000809544047 1317828507 /nfs/dbraw/zinc/82/85/07/1317828507.db2.gz XDTGYKPLTHPTLC-UHFFFAOYSA-N 1 2 338.838 3.279 20 30 EGEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 ZINC000809560224 1317832127 /nfs/dbraw/zinc/83/21/27/1317832127.db2.gz HFKYAIGGFGXEOQ-UHFFFAOYSA-N 1 2 343.430 3.107 20 30 EGEDLO C=CC[N@@H+](Cc1ccccc1)CN1C(=O)C2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000811732309 1318242016 /nfs/dbraw/zinc/24/20/16/1318242016.db2.gz PDSOLLOGCCYVLW-OALUTQOASA-N 1 2 340.467 3.192 20 30 EGEDLO C=CC[N@H+](Cc1ccccc1)CN1C(=O)C2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000811732309 1318242022 /nfs/dbraw/zinc/24/20/22/1318242022.db2.gz PDSOLLOGCCYVLW-OALUTQOASA-N 1 2 340.467 3.192 20 30 EGEDLO C=C[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccon1)c1ccccc1 ZINC000961036032 1319160854 /nfs/dbraw/zinc/16/08/54/1319160854.db2.gz WKQXGFUTSGTLPS-RTBURBONSA-N 1 2 339.439 3.067 20 30 EGEDLO C=C[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccon1)c1ccccc1 ZINC000961036032 1319160859 /nfs/dbraw/zinc/16/08/59/1319160859.db2.gz WKQXGFUTSGTLPS-RTBURBONSA-N 1 2 339.439 3.067 20 30 EGEDLO N#Cc1ccccc1N1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816483932 1319163641 /nfs/dbraw/zinc/16/36/41/1319163641.db2.gz KTQQYKSJOMREJF-UHFFFAOYSA-N 1 2 345.805 3.379 20 30 EGEDLO C=CCC(CC=C)C(=O)OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000817184869 1319291341 /nfs/dbraw/zinc/29/13/41/1319291341.db2.gz VXVQZMHUTZTNPG-UHFFFAOYSA-N 1 2 329.440 3.330 20 30 EGEDLO CCCCCCCCC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000915088414 1319419902 /nfs/dbraw/zinc/41/99/02/1319419902.db2.gz QAJDWOLOGSOBRR-GOSISDBHSA-N 1 2 342.549 3.061 20 30 EGEDLO C[C@H]1CCCC[C@H]1NC(=S)NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000917025606 1319740173 /nfs/dbraw/zinc/74/01/73/1319740173.db2.gz AUUXSJLMKBRJPI-WMLDXEAASA-N 1 2 341.484 3.249 20 30 EGEDLO C#CC[N@@H+](CC(=O)Nc1ccc(Cl)cn1)[C@@H]1CCc2ccccc21 ZINC000917118012 1319759223 /nfs/dbraw/zinc/75/92/23/1319759223.db2.gz ZRJVFTFXVPMXMF-QGZVFWFLSA-N 1 2 339.826 3.296 20 30 EGEDLO C#CC[N@H+](CC(=O)Nc1ccc(Cl)cn1)[C@@H]1CCc2ccccc21 ZINC000917118012 1319759232 /nfs/dbraw/zinc/75/92/32/1319759232.db2.gz ZRJVFTFXVPMXMF-QGZVFWFLSA-N 1 2 339.826 3.296 20 30 EGEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000824866475 1320292403 /nfs/dbraw/zinc/29/24/03/1320292403.db2.gz DLHYJILIONETGR-UHFFFAOYSA-N 1 2 342.370 3.364 20 30 EGEDLO CC(=[NH+]Nc1nc(C)cc(=O)[nH]1)c1ccc(N2CCCCC2)cc1 ZINC000825268949 1320322383 /nfs/dbraw/zinc/32/23/83/1320322383.db2.gz BXRFMRVLZYHHHQ-UHFFFAOYSA-N 1 2 325.416 3.317 20 30 EGEDLO C[C@@H](c1cccc(NC(=O)C#Cc2cccs2)c1)[NH+]1CCOCC1 ZINC000825714858 1320357159 /nfs/dbraw/zinc/35/71/59/1320357159.db2.gz XVYLOHMSZNNFSV-HNNXBMFYSA-N 1 2 340.448 3.132 20 30 EGEDLO C[C@@H]1[C@H](C)C[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)[C@H]1C ZINC000842166250 1321356705 /nfs/dbraw/zinc/35/67/05/1321356705.db2.gz JVWBDPYOHFJDFU-MQYQWHSLSA-N 1 2 327.453 3.449 20 30 EGEDLO C[C@@H]1[C@H](C)C[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)[C@H]1C ZINC000842166250 1321356710 /nfs/dbraw/zinc/35/67/10/1321356710.db2.gz JVWBDPYOHFJDFU-MQYQWHSLSA-N 1 2 327.453 3.449 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@](C)(Cc2ccccc2)CC1=O ZINC000842596364 1321405133 /nfs/dbraw/zinc/40/51/33/1321405133.db2.gz MPNVGSIZMJUECP-JOCHJYFZSA-N 1 2 347.462 3.429 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C[C@](C)(Cc2ccccc2)CC1=O ZINC000842596364 1321405135 /nfs/dbraw/zinc/40/51/35/1321405135.db2.gz MPNVGSIZMJUECP-JOCHJYFZSA-N 1 2 347.462 3.429 20 30 EGEDLO C[C@@H](CC(=O)OCc1ccc(Br)cc1C#N)n1cc[nH+]c1 ZINC000845284134 1321694033 /nfs/dbraw/zinc/69/40/33/1321694033.db2.gz LJHCTHCEWAIRLV-NSHDSACASA-N 1 2 348.200 3.212 20 30 EGEDLO C[C@H](CC(=O)OCc1cc(Cl)ccc1OCC#N)n1cc[nH+]c1 ZINC000845283166 1321694131 /nfs/dbraw/zinc/69/41/31/1321694131.db2.gz UOXKMNZXSNBUDG-GFCCVEGCSA-N 1 2 333.775 3.133 20 30 EGEDLO C#C[C@H](CC)Oc1ccc(COC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000845533712 1321716950 /nfs/dbraw/zinc/71/69/50/1321716950.db2.gz ZSOHVEHKPSNJQD-DOTOQJQBSA-N 1 2 326.396 3.368 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000846986316 1321831244 /nfs/dbraw/zinc/83/12/44/1321831244.db2.gz IMNFUUMIMFQHRX-MRXNPFEDSA-N 1 2 328.460 3.287 20 30 EGEDLO C=C(Br)C[N@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000847001505 1321832479 /nfs/dbraw/zinc/83/24/79/1321832479.db2.gz PCNZTQGEQUVCDE-SHTZXODSSA-N 1 2 340.261 3.406 20 30 EGEDLO C=C(Br)C[N@@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000847001505 1321832483 /nfs/dbraw/zinc/83/24/83/1321832483.db2.gz PCNZTQGEQUVCDE-SHTZXODSSA-N 1 2 340.261 3.406 20 30 EGEDLO C#CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1ccccc1CC ZINC000920489663 1322183606 /nfs/dbraw/zinc/18/36/06/1322183606.db2.gz PAOOFEWOPOYPBK-UHFFFAOYSA-N 1 2 336.435 3.332 20 30 EGEDLO C#CCOc1ccccc1C[N@H+](C)CC(=O)Nc1ccccc1CC ZINC000920489663 1322183607 /nfs/dbraw/zinc/18/36/07/1322183607.db2.gz PAOOFEWOPOYPBK-UHFFFAOYSA-N 1 2 336.435 3.332 20 30 EGEDLO CCN(c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)cc1)C(C)C ZINC000852320055 1323179143 /nfs/dbraw/zinc/17/91/43/1323179143.db2.gz VLRXYSBFBLSEET-KRWDZBQOSA-N 1 2 342.487 3.485 20 30 EGEDLO CCN(c1ccc(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)cc1)C(C)C ZINC000852320055 1323179145 /nfs/dbraw/zinc/17/91/45/1323179145.db2.gz VLRXYSBFBLSEET-KRWDZBQOSA-N 1 2 342.487 3.485 20 30 EGEDLO CC1(C)C[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001024391026 1323364001 /nfs/dbraw/zinc/36/40/01/1323364001.db2.gz NRZLPQBCLGRUTE-DLBZAZTESA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)C[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001024391026 1323364008 /nfs/dbraw/zinc/36/40/08/1323364008.db2.gz NRZLPQBCLGRUTE-DLBZAZTESA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)C[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001024398416 1323369538 /nfs/dbraw/zinc/36/95/38/1323369538.db2.gz NRZLPQBCLGRUTE-SJORKVTESA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)C[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001024398416 1323369545 /nfs/dbraw/zinc/36/95/45/1323369545.db2.gz NRZLPQBCLGRUTE-SJORKVTESA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccnc1C1CC1 ZINC001024530340 1323474727 /nfs/dbraw/zinc/47/47/27/1323474727.db2.gz GHDKXAHREYRJSM-OAHLLOKOSA-N 1 2 333.863 3.296 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccnc1C1CC1 ZINC001024530340 1323474732 /nfs/dbraw/zinc/47/47/32/1323474732.db2.gz GHDKXAHREYRJSM-OAHLLOKOSA-N 1 2 333.863 3.296 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001024620416 1323548391 /nfs/dbraw/zinc/54/83/91/1323548391.db2.gz UHKUVWPWPHJCKP-RDJZCZTQSA-N 1 2 336.838 3.189 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001024620416 1323548396 /nfs/dbraw/zinc/54/83/96/1323548396.db2.gz UHKUVWPWPHJCKP-RDJZCZTQSA-N 1 2 336.838 3.189 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2nocc2C)CC1 ZINC001024633733 1323560976 /nfs/dbraw/zinc/56/09/76/1323560976.db2.gz MQJKXPFGMSRBDQ-KRWDZBQOSA-N 1 2 331.460 3.200 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2nocc2C)CC1 ZINC001024633733 1323560981 /nfs/dbraw/zinc/56/09/81/1323560981.db2.gz MQJKXPFGMSRBDQ-KRWDZBQOSA-N 1 2 331.460 3.200 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC2(CC2)C1 ZINC001024645806 1323571892 /nfs/dbraw/zinc/57/18/92/1323571892.db2.gz QQMUDGKJFZUYSW-CQSZACIVSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)C1CC2(CC2)C1 ZINC001024645806 1323571899 /nfs/dbraw/zinc/57/18/99/1323571899.db2.gz QQMUDGKJFZUYSW-CQSZACIVSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(=O)C1CC2(CC2)C1 ZINC001024645805 1323572076 /nfs/dbraw/zinc/57/20/76/1323572076.db2.gz QQMUDGKJFZUYSW-AWEZNQCLSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H]1CNC(=O)C1CC2(CC2)C1 ZINC001024645805 1323572081 /nfs/dbraw/zinc/57/20/81/1323572081.db2.gz QQMUDGKJFZUYSW-AWEZNQCLSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1csc(Cl)n1 ZINC001024744623 1323643830 /nfs/dbraw/zinc/64/38/30/1323643830.db2.gz AQWRNSBCLOXJSJ-SNVBAGLBSA-N 1 2 334.272 3.133 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1csc(Cl)n1 ZINC001024744623 1323643838 /nfs/dbraw/zinc/64/38/38/1323643838.db2.gz AQWRNSBCLOXJSJ-SNVBAGLBSA-N 1 2 334.272 3.133 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]nc1C(C)(C)C ZINC001024754264 1323654341 /nfs/dbraw/zinc/65/43/41/1323654341.db2.gz QIJUXHRSQFAVQZ-CYBMUJFWSA-N 1 2 338.883 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]nc1C(C)(C)C ZINC001024754264 1323654349 /nfs/dbraw/zinc/65/43/49/1323654349.db2.gz QIJUXHRSQFAVQZ-CYBMUJFWSA-N 1 2 338.883 3.044 20 30 EGEDLO C#CCCCOc1cccnc1N1CCC([N@H+](C)CC(F)F)CC1 ZINC000853412930 1325091032 /nfs/dbraw/zinc/09/10/32/1325091032.db2.gz LFHJJUMSNXNOPN-UHFFFAOYSA-N 1 2 337.414 3.040 20 30 EGEDLO C#CCCCOc1cccnc1N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000853412930 1325091035 /nfs/dbraw/zinc/09/10/35/1325091035.db2.gz LFHJJUMSNXNOPN-UHFFFAOYSA-N 1 2 337.414 3.040 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](c1ccnn1C)C(C)C ZINC000853526831 1325116089 /nfs/dbraw/zinc/11/60/89/1325116089.db2.gz ZRXHXLYGJPKVFH-MRXNPFEDSA-N 1 2 326.444 3.459 20 30 EGEDLO C=CC[N@H+](CN1C(=O)C2(CCC2)[C@H]1c1ccccc1)[C@@H](C)COC ZINC000853535003 1325116771 /nfs/dbraw/zinc/11/67/71/1325116771.db2.gz OJIHEDCHYWUKFU-FUHWJXTLSA-N 1 2 328.456 3.221 20 30 EGEDLO C=CC[N@@H+](CN1C(=O)C2(CCC2)[C@H]1c1ccccc1)[C@@H](C)COC ZINC000853535003 1325116778 /nfs/dbraw/zinc/11/67/78/1325116778.db2.gz OJIHEDCHYWUKFU-FUHWJXTLSA-N 1 2 328.456 3.221 20 30 EGEDLO CC[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1cccc(C#N)c1O ZINC000925737884 1325275725 /nfs/dbraw/zinc/27/57/25/1325275725.db2.gz UFOYJZXTPRSHET-KRWDZBQOSA-N 1 2 338.411 3.059 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC001027275583 1325388580 /nfs/dbraw/zinc/38/85/80/1325388580.db2.gz TURXQRUCSCBBLC-HNNXBMFYSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC001027275583 1325388587 /nfs/dbraw/zinc/38/85/87/1325388587.db2.gz TURXQRUCSCBBLC-HNNXBMFYSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCC2CC2)C1 ZINC001027339501 1325498437 /nfs/dbraw/zinc/49/84/37/1325498437.db2.gz XKWXKUGUUGWMDX-CQSZACIVSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)CCC2CC2)C1 ZINC001027339501 1325498443 /nfs/dbraw/zinc/49/84/43/1325498443.db2.gz XKWXKUGUUGWMDX-CQSZACIVSA-N 1 2 329.282 3.008 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)CC(=C)Br)C1 ZINC001027521625 1327794616 /nfs/dbraw/zinc/79/46/16/1327794616.db2.gz HTRLCWMZOGGHPT-CYBMUJFWSA-N 1 2 329.282 3.030 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)CC(=C)Br)C1 ZINC001027521625 1327794620 /nfs/dbraw/zinc/79/46/20/1327794620.db2.gz HTRLCWMZOGGHPT-CYBMUJFWSA-N 1 2 329.282 3.030 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ncoc2C(C)C)C1 ZINC001027523240 1327795930 /nfs/dbraw/zinc/79/59/30/1327795930.db2.gz GWPQPZKWXYOTJH-OAHLLOKOSA-N 1 2 333.476 3.433 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ncoc2C(C)C)C1 ZINC001027523240 1327795939 /nfs/dbraw/zinc/79/59/39/1327795939.db2.gz GWPQPZKWXYOTJH-OAHLLOKOSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]([N@H+](C)Cc3nc(C)c(C)o3)C2)C1 ZINC001027566127 1327893578 /nfs/dbraw/zinc/89/35/78/1327893578.db2.gz GLQXMGGOPVIPBT-INIZCTEOSA-N 1 2 331.460 3.071 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]([N@@H+](C)Cc3nc(C)c(C)o3)C2)C1 ZINC001027566127 1327893585 /nfs/dbraw/zinc/89/35/85/1327893585.db2.gz GLQXMGGOPVIPBT-INIZCTEOSA-N 1 2 331.460 3.071 20 30 EGEDLO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C[C@@H]1NC(=O)C=C1CCC1 ZINC000965890182 1328084162 /nfs/dbraw/zinc/08/41/62/1328084162.db2.gz CKNBACCIJPVTIJ-KUHUBIRLSA-N 1 2 341.430 3.134 20 30 EGEDLO C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C[C@@H]1NC(=O)C=C1CCC1 ZINC000965890182 1328084170 /nfs/dbraw/zinc/08/41/70/1328084170.db2.gz CKNBACCIJPVTIJ-KUHUBIRLSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@@H](C)C2CC2)C1 ZINC001027695982 1328104821 /nfs/dbraw/zinc/10/48/21/1328104821.db2.gz KPIKWNHTKHVRHY-IUODEOHRSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H](C)C2CC2)C1 ZINC001027695982 1328104824 /nfs/dbraw/zinc/10/48/24/1328104824.db2.gz KPIKWNHTKHVRHY-IUODEOHRSA-N 1 2 343.309 3.254 20 30 EGEDLO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1Cl)C1CC=CC1 ZINC001027800991 1328239051 /nfs/dbraw/zinc/23/90/51/1328239051.db2.gz KTUAEJUEHHYTJS-GOSISDBHSA-N 1 2 342.870 3.238 20 30 EGEDLO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl)C1CC=CC1 ZINC001027800991 1328239059 /nfs/dbraw/zinc/23/90/59/1328239059.db2.gz KTUAEJUEHHYTJS-GOSISDBHSA-N 1 2 342.870 3.238 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)C1=CCCCCC1 ZINC001027847788 1328306215 /nfs/dbraw/zinc/30/62/15/1328306215.db2.gz NUHXIVSDXGDAJX-OAHLLOKOSA-N 1 2 341.293 3.366 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)C1=CCCCCC1 ZINC001027847788 1328306220 /nfs/dbraw/zinc/30/62/20/1328306220.db2.gz NUHXIVSDXGDAJX-OAHLLOKOSA-N 1 2 341.293 3.366 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1conc1C1CCCC1 ZINC001027930451 1328407634 /nfs/dbraw/zinc/40/76/34/1328407634.db2.gz SYYSOTGHDUQDEB-AWEZNQCLSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1conc1C1CCCC1 ZINC001027930451 1328407640 /nfs/dbraw/zinc/40/76/40/1328407640.db2.gz SYYSOTGHDUQDEB-AWEZNQCLSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnc2c(F)cccc2c1 ZINC001028030295 1328494228 /nfs/dbraw/zinc/49/42/28/1328494228.db2.gz XRLWEJNZILQIND-HNNXBMFYSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnc2c(F)cccc2c1 ZINC001028030295 1328494231 /nfs/dbraw/zinc/49/42/31/1328494231.db2.gz XRLWEJNZILQIND-HNNXBMFYSA-N 1 2 347.821 3.321 20 30 EGEDLO CN(CCC#N)c1ccc(C=[NH+]NCC(F)(F)C(F)(F)F)cc1 ZINC000863181469 1329532730 /nfs/dbraw/zinc/53/27/30/1329532730.db2.gz LSABWXCSFHICPI-UHFFFAOYSA-N 1 2 334.292 3.158 20 30 EGEDLO C[Si](C)(CCN1CCC[C@@H](C#N)C1)CC[N@@H+]1CCC[C@H](C#N)C1 ZINC000932150330 1329789139 /nfs/dbraw/zinc/78/91/39/1329789139.db2.gz BNGLUHCYPOWKCD-HDICACEKSA-N 1 2 332.568 3.166 20 30 EGEDLO C[Si](C)(CCN1CCC[C@@H](C#N)C1)CC[N@H+]1CCC[C@H](C#N)C1 ZINC000932150330 1329789141 /nfs/dbraw/zinc/78/91/41/1329789141.db2.gz BNGLUHCYPOWKCD-HDICACEKSA-N 1 2 332.568 3.166 20 30 EGEDLO C[Si](C)(CCN1CCC[C@H](C#N)C1)CC[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932150330 1329789142 /nfs/dbraw/zinc/78/91/42/1329789142.db2.gz BNGLUHCYPOWKCD-HDICACEKSA-N 1 2 332.568 3.166 20 30 EGEDLO C[Si](C)(CCN1CCC[C@H](C#N)C1)CC[N@H+]1CCC[C@@H](C#N)C1 ZINC000932150330 1329789144 /nfs/dbraw/zinc/78/91/44/1329789144.db2.gz BNGLUHCYPOWKCD-HDICACEKSA-N 1 2 332.568 3.166 20 30 EGEDLO C#CC[N@H+](Cc1nnc(-c2ccc(Br)s2)o1)C(C)C ZINC000932395929 1329811340 /nfs/dbraw/zinc/81/13/40/1329811340.db2.gz XBRWYKZUJYCKHT-UHFFFAOYSA-N 1 2 340.246 3.404 20 30 EGEDLO C#CC[N@@H+](Cc1nnc(-c2ccc(Br)s2)o1)C(C)C ZINC000932395929 1329811341 /nfs/dbraw/zinc/81/13/41/1329811341.db2.gz XBRWYKZUJYCKHT-UHFFFAOYSA-N 1 2 340.246 3.404 20 30 EGEDLO CSCC1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000932591647 1329825441 /nfs/dbraw/zinc/82/54/41/1329825441.db2.gz QVCLGGXALZZZQD-UHFFFAOYSA-N 1 2 337.514 3.250 20 30 EGEDLO CCn1c[nH+]c2c1CCN(CC#Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000933257663 1329875557 /nfs/dbraw/zinc/87/55/57/1329875557.db2.gz LWTVBLRFGCAHOU-UHFFFAOYSA-N 1 2 349.356 3.211 20 30 EGEDLO Cc1noc(C[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3C#N)C2)n1 ZINC000933568286 1329901719 /nfs/dbraw/zinc/90/17/19/1329901719.db2.gz CFXQXVVAJSKEAY-CYBMUJFWSA-N 1 2 330.819 3.358 20 30 EGEDLO Cc1noc(C[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)n1 ZINC000933568286 1329901720 /nfs/dbraw/zinc/90/17/20/1329901720.db2.gz CFXQXVVAJSKEAY-CYBMUJFWSA-N 1 2 330.819 3.358 20 30 EGEDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000867628326 1330211628 /nfs/dbraw/zinc/21/16/28/1330211628.db2.gz XIZMCOKATXCKOI-UHFFFAOYSA-N 1 2 333.388 3.088 20 30 EGEDLO CC(C)C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@@H](C)C1 ZINC000947071581 1333002431 /nfs/dbraw/zinc/00/24/31/1333002431.db2.gz WMVAQEPMSALRHC-RDJZCZTQSA-N 1 2 332.875 3.317 20 30 EGEDLO CC(C)C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@@H](C)C1 ZINC000947071581 1333002436 /nfs/dbraw/zinc/00/24/36/1333002436.db2.gz WMVAQEPMSALRHC-RDJZCZTQSA-N 1 2 332.875 3.317 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C2(C)CC=CC2)C[C@@H]1C ZINC000947693444 1333227198 /nfs/dbraw/zinc/22/71/98/1333227198.db2.gz MZESGFZIAVXTAW-UONOGXRCSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CC=CC2)C[C@@H]1C ZINC000947693444 1333227202 /nfs/dbraw/zinc/22/72/02/1333227202.db2.gz MZESGFZIAVXTAW-UONOGXRCSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2CC3(CC3)C2)C[C@H]1C ZINC000947702619 1333232482 /nfs/dbraw/zinc/23/24/82/1333232482.db2.gz QIZGCXWMLHDDAM-OCCSQVGLSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2CC3(CC3)C2)C[C@H]1C ZINC000947702619 1333232484 /nfs/dbraw/zinc/23/24/84/1333232484.db2.gz QIZGCXWMLHDDAM-OCCSQVGLSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](N(C)C(=O)c2cccc3n[nH]cc32)CC1 ZINC000948665802 1333621434 /nfs/dbraw/zinc/62/14/34/1333621434.db2.gz RQDOKDSCSURGRR-CQSZACIVSA-N 1 2 346.862 3.242 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2cccc3n[nH]cc32)CC1 ZINC000948665802 1333621436 /nfs/dbraw/zinc/62/14/36/1333621436.db2.gz RQDOKDSCSURGRR-CQSZACIVSA-N 1 2 346.862 3.242 20 30 EGEDLO C=CCn1cccc1C(=O)N1CC[NH+](Cc2csc(C)c2)CC1 ZINC000948773108 1333673184 /nfs/dbraw/zinc/67/31/84/1333673184.db2.gz YFPJFPPQKXMCCF-UHFFFAOYSA-N 1 2 329.469 3.002 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc[nH]c1C(C)C ZINC000948951424 1333745495 /nfs/dbraw/zinc/74/54/95/1333745495.db2.gz YZCARVDYNONVIX-LJQANCHMSA-N 1 2 335.451 3.101 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc[nH]c1C(C)C ZINC000948951424 1333745498 /nfs/dbraw/zinc/74/54/98/1333745498.db2.gz YZCARVDYNONVIX-LJQANCHMSA-N 1 2 335.451 3.101 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(C=C)cc1 ZINC000948961930 1333749145 /nfs/dbraw/zinc/74/91/45/1333749145.db2.gz NKYSBPNUVBMUKG-OAQYLSRUSA-N 1 2 330.431 3.292 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(C=C)cc1 ZINC000948961930 1333749146 /nfs/dbraw/zinc/74/91/46/1333749146.db2.gz NKYSBPNUVBMUKG-OAQYLSRUSA-N 1 2 330.431 3.292 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccsc1Cl ZINC000948966028 1333750426 /nfs/dbraw/zinc/75/04/26/1333750426.db2.gz UJGKLSOIBOZADH-INIZCTEOSA-N 1 2 344.867 3.364 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccsc1Cl ZINC000948966028 1333750430 /nfs/dbraw/zinc/75/04/30/1333750430.db2.gz UJGKLSOIBOZADH-INIZCTEOSA-N 1 2 344.867 3.364 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000950051848 1334003565 /nfs/dbraw/zinc/00/35/65/1334003565.db2.gz WWSVWCWPDUOPCD-DZGCQCFKSA-N 1 2 333.303 3.317 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[NH+](CCO[C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000950373159 1334053327 /nfs/dbraw/zinc/05/33/27/1334053327.db2.gz IWRDWZLWECBTKX-ZWKOTPCHSA-N 1 2 334.504 3.082 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[NH+](CCc3ccc(F)c(F)c3)CC2)C1 ZINC000950382651 1334056610 /nfs/dbraw/zinc/05/66/10/1334056610.db2.gz ICKLYZNXFHANOK-UHFFFAOYSA-N 1 2 334.410 3.008 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ncoc2-c2ccccc2)C1 ZINC000950466737 1334076370 /nfs/dbraw/zinc/07/63/70/1334076370.db2.gz YJJBBFZTYRBNSH-UHFFFAOYSA-N 1 2 325.412 3.064 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(OC)cc2C)C1 ZINC000968133962 1335860429 /nfs/dbraw/zinc/86/04/29/1335860429.db2.gz WCDMRJKICDUGAD-YVEFUNNKSA-N 1 2 336.863 3.196 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(OC)cc2C)C1 ZINC000968133962 1335860430 /nfs/dbraw/zinc/86/04/30/1335860430.db2.gz WCDMRJKICDUGAD-YVEFUNNKSA-N 1 2 336.863 3.196 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3cccnc3c2)C1 ZINC000968439900 1335929192 /nfs/dbraw/zinc/92/91/92/1335929192.db2.gz OLTKCDOMQOQQLO-SCLBCKFNSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3cccnc3c2)C1 ZINC000968439900 1335929195 /nfs/dbraw/zinc/92/91/95/1335929195.db2.gz OLTKCDOMQOQQLO-SCLBCKFNSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC000968554929 1335960736 /nfs/dbraw/zinc/96/07/36/1335960736.db2.gz YSFMKMLVKHEKKD-DYVFJYSZSA-N 1 2 337.895 3.406 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC000968554929 1335960737 /nfs/dbraw/zinc/96/07/37/1335960737.db2.gz YSFMKMLVKHEKKD-DYVFJYSZSA-N 1 2 337.895 3.406 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1ncoc1C1CC1 ZINC000969105862 1336145806 /nfs/dbraw/zinc/14/58/06/1336145806.db2.gz PNSYADABWITRNH-AWEZNQCLSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1ncoc1C1CC1 ZINC000969105862 1336145807 /nfs/dbraw/zinc/14/58/07/1336145807.db2.gz PNSYADABWITRNH-AWEZNQCLSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc3nccc(C)c3c2)C1 ZINC000969754722 1336243454 /nfs/dbraw/zinc/24/34/54/1336243454.db2.gz WMLHCVKEYFQUKT-CQSZACIVSA-N 1 2 343.858 3.346 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cn(CC)c3ccccc23)C1 ZINC000970105600 1336280232 /nfs/dbraw/zinc/28/02/32/1336280232.db2.gz QXCLKZVQTUOQIW-CQSZACIVSA-N 1 2 345.874 3.464 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2nc3ccccc3cc2C)C1 ZINC000970182603 1336288525 /nfs/dbraw/zinc/28/85/25/1336288525.db2.gz REVJFRCCJBGODE-CQSZACIVSA-N 1 2 343.858 3.346 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc3cccc(OC)c3o2)C1 ZINC000970346062 1336295916 /nfs/dbraw/zinc/29/59/16/1336295916.db2.gz MBCUSBQRHGFWQN-LBPRGKRZSA-N 1 2 348.830 3.244 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(C)c(OCC)c2)C1 ZINC000970517385 1336315638 /nfs/dbraw/zinc/31/56/38/1336315638.db2.gz BOYADUJPOJXPSI-CQSZACIVSA-N 1 2 336.863 3.196 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2csc(C(C)C)n2)C1 ZINC000970590043 1336324750 /nfs/dbraw/zinc/32/47/50/1336324750.db2.gz ORBHQDAVPNVYQF-NSHDSACASA-N 1 2 327.881 3.069 20 30 EGEDLO Cc1ccsc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001006602822 1336535888 /nfs/dbraw/zinc/53/58/88/1336535888.db2.gz LTZWMSRXZSBMES-QGZVFWFLSA-N 1 2 339.464 3.323 20 30 EGEDLO Cc1ccsc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001006602822 1336535890 /nfs/dbraw/zinc/53/58/90/1336535890.db2.gz LTZWMSRXZSBMES-QGZVFWFLSA-N 1 2 339.464 3.323 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)c2ccsc2)C1 ZINC001006681032 1336555848 /nfs/dbraw/zinc/55/58/48/1336555848.db2.gz UTMVMYGTWXBGGE-KRWDZBQOSA-N 1 2 325.437 3.014 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)c2ccsc2)C1 ZINC001006681032 1336555850 /nfs/dbraw/zinc/55/58/50/1336555850.db2.gz UTMVMYGTWXBGGE-KRWDZBQOSA-N 1 2 325.437 3.014 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([C@@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001063900215 1352076230 /nfs/dbraw/zinc/07/62/30/1352076230.db2.gz PBXDVMNBWCSHIU-ZBFHGGJFSA-N 1 2 330.476 3.426 20 30 EGEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)C(F)=C1CCCC1 ZINC001007088492 1336641562 /nfs/dbraw/zinc/64/15/62/1336641562.db2.gz YCQSABAKJRKUPG-IBGZPJMESA-N 1 2 340.442 3.416 20 30 EGEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)C(F)=C1CCCC1 ZINC001007088492 1336641565 /nfs/dbraw/zinc/64/15/65/1336641565.db2.gz YCQSABAKJRKUPG-IBGZPJMESA-N 1 2 340.442 3.416 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cn(C)c3ccc(F)cc23)C1 ZINC001007514759 1336662318 /nfs/dbraw/zinc/66/23/18/1336662318.db2.gz NGHOLZJFCSXUOQ-AWEZNQCLSA-N 1 2 349.837 3.264 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cn(C)c3ccc(F)cc23)C1 ZINC001007514759 1336662319 /nfs/dbraw/zinc/66/23/19/1336662319.db2.gz NGHOLZJFCSXUOQ-AWEZNQCLSA-N 1 2 349.837 3.264 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cn(C)c3ccccc23)C1 ZINC001007821653 1336708170 /nfs/dbraw/zinc/70/81/70/1336708170.db2.gz IYLWHIGYACWXLT-CQSZACIVSA-N 1 2 331.847 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)c3ccccc23)C1 ZINC001007821653 1336708174 /nfs/dbraw/zinc/70/81/74/1336708174.db2.gz IYLWHIGYACWXLT-CQSZACIVSA-N 1 2 331.847 3.125 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H](C)c2c(F)cccc2F)C1 ZINC001007945603 1336736477 /nfs/dbraw/zinc/73/64/77/1336736477.db2.gz YFIZFTGGWHYRGF-OLZOCXBDSA-N 1 2 342.817 3.401 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)c2c(F)cccc2F)C1 ZINC001007945603 1336736480 /nfs/dbraw/zinc/73/64/80/1336736480.db2.gz YFIZFTGGWHYRGF-OLZOCXBDSA-N 1 2 342.817 3.401 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC001008070266 1336762472 /nfs/dbraw/zinc/76/24/72/1336762472.db2.gz MBYFVTCOQYYCBM-LJQANCHMSA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC001008070266 1336762473 /nfs/dbraw/zinc/76/24/73/1336762473.db2.gz MBYFVTCOQYYCBM-LJQANCHMSA-N 1 2 337.467 3.219 20 30 EGEDLO CC1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(C#N)ccc3F)C2)CCCC1 ZINC001008109504 1336770854 /nfs/dbraw/zinc/77/08/54/1336770854.db2.gz OVKVNLYVEXUCSR-QGZVFWFLSA-N 1 2 343.446 3.358 20 30 EGEDLO CC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)CCCC1 ZINC001008109504 1336770856 /nfs/dbraw/zinc/77/08/56/1336770856.db2.gz OVKVNLYVEXUCSR-QGZVFWFLSA-N 1 2 343.446 3.358 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2-n2cccc2)C1 ZINC001008397111 1336842235 /nfs/dbraw/zinc/84/22/35/1336842235.db2.gz BXUQXCGYOJMXHN-MRXNPFEDSA-N 1 2 343.858 3.424 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2-n2cccc2)C1 ZINC001008397111 1336842237 /nfs/dbraw/zinc/84/22/37/1336842237.db2.gz BXUQXCGYOJMXHN-MRXNPFEDSA-N 1 2 343.858 3.424 20 30 EGEDLO CCc1ccoc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001008433331 1336852180 /nfs/dbraw/zinc/85/21/80/1336852180.db2.gz MPGYQTUIPDUWST-GOSISDBHSA-N 1 2 337.423 3.108 20 30 EGEDLO CCc1ccoc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001008433331 1336852183 /nfs/dbraw/zinc/85/21/83/1336852183.db2.gz MPGYQTUIPDUWST-GOSISDBHSA-N 1 2 337.423 3.108 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001008436292 1336852665 /nfs/dbraw/zinc/85/26/65/1336852665.db2.gz DUHLNUMDMJZZFK-QGZVFWFLSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001008436292 1336852667 /nfs/dbraw/zinc/85/26/67/1336852667.db2.gz DUHLNUMDMJZZFK-QGZVFWFLSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2(c3cccc(F)c3)CC2)C1 ZINC001008743847 1336918679 /nfs/dbraw/zinc/91/86/79/1336918679.db2.gz BTWGZUCITLAXBV-INIZCTEOSA-N 1 2 336.838 3.190 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2(c3cccc(F)c3)CC2)C1 ZINC001008743847 1336918681 /nfs/dbraw/zinc/91/86/81/1336918681.db2.gz BTWGZUCITLAXBV-INIZCTEOSA-N 1 2 336.838 3.190 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)c2ccc(F)cc2)C1 ZINC001009258227 1336992113 /nfs/dbraw/zinc/99/21/13/1336992113.db2.gz JAAJKLQERXOPQT-INIZCTEOSA-N 1 2 338.854 3.436 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)c2ccc(F)cc2)C1 ZINC001009258227 1336992115 /nfs/dbraw/zinc/99/21/15/1336992115.db2.gz JAAJKLQERXOPQT-INIZCTEOSA-N 1 2 338.854 3.436 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001009591634 1337042477 /nfs/dbraw/zinc/04/24/77/1337042477.db2.gz YXDVKFDPDSFDHJ-GXTWGEPZSA-N 1 2 342.817 3.401 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001009591634 1337042481 /nfs/dbraw/zinc/04/24/81/1337042481.db2.gz YXDVKFDPDSFDHJ-GXTWGEPZSA-N 1 2 342.817 3.401 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)c2cccc(OC)c2)C1 ZINC001009645962 1337052178 /nfs/dbraw/zinc/05/21/78/1337052178.db2.gz ZZNATOIUNRDENL-GOEBONIOSA-N 1 2 336.863 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)c2cccc(OC)c2)C1 ZINC001009645962 1337052179 /nfs/dbraw/zinc/05/21/79/1337052179.db2.gz ZZNATOIUNRDENL-GOEBONIOSA-N 1 2 336.863 3.132 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001009654244 1337054162 /nfs/dbraw/zinc/05/41/62/1337054162.db2.gz BNVZVXXQFVNACQ-OAHLLOKOSA-N 1 2 332.875 3.430 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001009654244 1337054166 /nfs/dbraw/zinc/05/41/66/1337054166.db2.gz BNVZVXXQFVNACQ-OAHLLOKOSA-N 1 2 332.875 3.430 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001009701930 1337063382 /nfs/dbraw/zinc/06/33/82/1337063382.db2.gz KJTZUZDLTHFSAR-IXDOHACOSA-N 1 2 336.838 3.262 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001009701930 1337063385 /nfs/dbraw/zinc/06/33/85/1337063385.db2.gz KJTZUZDLTHFSAR-IXDOHACOSA-N 1 2 336.838 3.262 20 30 EGEDLO C=C(C)CCC(=O)NC1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CCC1 ZINC001063957073 1352109772 /nfs/dbraw/zinc/10/97/72/1352109772.db2.gz VKTXUGANHUQNKX-UHFFFAOYSA-N 1 2 343.471 3.132 20 30 EGEDLO C[C@]1(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)CC=CCC1 ZINC001014551253 1337820504 /nfs/dbraw/zinc/82/05/04/1337820504.db2.gz QJMRRIGKWMJCNG-PXNSSMCTSA-N 1 2 341.430 3.134 20 30 EGEDLO C[C@]1(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)CC=CCC1 ZINC001014551253 1337820509 /nfs/dbraw/zinc/82/05/09/1337820509.db2.gz QJMRRIGKWMJCNG-PXNSSMCTSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc3ccccc3nc2C)C1 ZINC001014615681 1337849612 /nfs/dbraw/zinc/84/96/12/1337849612.db2.gz GBUAKQCBWFJMSZ-OAHLLOKOSA-N 1 2 329.831 3.100 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc3ccccc3nc2C)C1 ZINC001014615681 1337849615 /nfs/dbraw/zinc/84/96/15/1337849615.db2.gz GBUAKQCBWFJMSZ-OAHLLOKOSA-N 1 2 329.831 3.100 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)C1 ZINC001015370798 1338114862 /nfs/dbraw/zinc/11/48/62/1338114862.db2.gz MGVFCLPJFIGKFY-SQNIBIBYSA-N 1 2 332.875 3.198 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)C1 ZINC001015370798 1338114866 /nfs/dbraw/zinc/11/48/66/1338114866.db2.gz MGVFCLPJFIGKFY-SQNIBIBYSA-N 1 2 332.875 3.198 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3cc(O)ccc3Cl)C2)C1 ZINC001015675929 1338252963 /nfs/dbraw/zinc/25/29/63/1338252963.db2.gz DXJSMACGWCRXIC-CQSZACIVSA-N 1 2 334.847 3.092 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(O)ccc3Cl)C2)C1 ZINC001015675929 1338252965 /nfs/dbraw/zinc/25/29/65/1338252965.db2.gz DXJSMACGWCRXIC-CQSZACIVSA-N 1 2 334.847 3.092 20 30 EGEDLO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1)c1ccsc1 ZINC001015690124 1338260405 /nfs/dbraw/zinc/26/04/05/1338260405.db2.gz QEJDOUNOKUHCCF-KSSFIOAISA-N 1 2 339.464 3.114 20 30 EGEDLO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1)c1ccsc1 ZINC001015690124 1338260417 /nfs/dbraw/zinc/26/04/17/1338260417.db2.gz QEJDOUNOKUHCCF-KSSFIOAISA-N 1 2 339.464 3.114 20 30 EGEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cc(Cl)cs1 ZINC001015787966 1338309406 /nfs/dbraw/zinc/30/94/06/1338309406.db2.gz HYRROLNBQFLSIT-MRXNPFEDSA-N 1 2 344.867 3.257 20 30 EGEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cc(Cl)cs1 ZINC001015787966 1338309407 /nfs/dbraw/zinc/30/94/07/1338309407.db2.gz HYRROLNBQFLSIT-MRXNPFEDSA-N 1 2 344.867 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC001016058982 1338435419 /nfs/dbraw/zinc/43/54/19/1338435419.db2.gz SEXMAGVLQLRVTN-DLBZAZTESA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC001016058982 1338435422 /nfs/dbraw/zinc/43/54/22/1338435422.db2.gz SEXMAGVLQLRVTN-DLBZAZTESA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)c(F)cc2Cl)C1 ZINC001016124438 1338469875 /nfs/dbraw/zinc/46/98/75/1338469875.db2.gz SYMZFKKBPDGYKH-LLVKDONJSA-N 1 2 331.218 3.344 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)c(F)cc2Cl)C1 ZINC001016124438 1338469877 /nfs/dbraw/zinc/46/98/77/1338469877.db2.gz SYMZFKKBPDGYKH-LLVKDONJSA-N 1 2 331.218 3.344 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c(C)c1 ZINC001016163436 1338485707 /nfs/dbraw/zinc/48/57/07/1338485707.db2.gz GUFVBRNQYBPNBJ-IBGZPJMESA-N 1 2 333.435 3.179 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c(C)c1 ZINC001016163436 1338485710 /nfs/dbraw/zinc/48/57/10/1338485710.db2.gz GUFVBRNQYBPNBJ-IBGZPJMESA-N 1 2 333.435 3.179 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(OC3CCC3)cc2)C1 ZINC001016300344 1338539597 /nfs/dbraw/zinc/53/95/97/1338539597.db2.gz IZDOSXIPZULQFY-OAHLLOKOSA-N 1 2 334.847 3.175 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(OC3CCC3)cc2)C1 ZINC001016300344 1338539601 /nfs/dbraw/zinc/53/96/01/1338539601.db2.gz IZDOSXIPZULQFY-OAHLLOKOSA-N 1 2 334.847 3.175 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c2ccccc2c1Cl ZINC001017706807 1339395975 /nfs/dbraw/zinc/39/59/75/1339395975.db2.gz SUJUBBBJCDBXDN-OKILXGFUSA-N 1 2 341.842 3.133 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c2ccccc2c1Cl ZINC001017706807 1339395989 /nfs/dbraw/zinc/39/59/89/1339395989.db2.gz SUJUBBBJCDBXDN-OKILXGFUSA-N 1 2 341.842 3.133 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(c2cccc(C)c2)CCC1 ZINC001017784852 1339420437 /nfs/dbraw/zinc/42/04/37/1339420437.db2.gz BQLZDDIDENFTEJ-BGYRXZFFSA-N 1 2 336.479 3.115 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(c2cccc(C)c2)CCC1 ZINC001017784852 1339420439 /nfs/dbraw/zinc/42/04/39/1339420439.db2.gz BQLZDDIDENFTEJ-BGYRXZFFSA-N 1 2 336.479 3.115 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc2cccc(OC)c2o1 ZINC001028100697 1340426037 /nfs/dbraw/zinc/42/60/37/1340426037.db2.gz HNJJGMWWAZOWIU-AWEZNQCLSA-N 1 2 348.830 3.388 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc2cccc(OC)c2o1 ZINC001028100697 1340426039 /nfs/dbraw/zinc/42/60/39/1340426039.db2.gz HNJJGMWWAZOWIU-AWEZNQCLSA-N 1 2 348.830 3.388 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC001028190176 1340475727 /nfs/dbraw/zinc/47/57/27/1340475727.db2.gz OYWKMWKYNYPVJF-BPQIPLTHSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC001028190176 1340475730 /nfs/dbraw/zinc/47/57/30/1340475730.db2.gz OYWKMWKYNYPVJF-BPQIPLTHSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2cccnc2c1 ZINC001028209532 1340486172 /nfs/dbraw/zinc/48/61/72/1340486172.db2.gz HTXCNJXTZSPRAK-INIZCTEOSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2cccnc2c1 ZINC001028209532 1340486175 /nfs/dbraw/zinc/48/61/75/1340486175.db2.gz HTXCNJXTZSPRAK-INIZCTEOSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(C(F)(F)F)n1 ZINC001028218142 1340489169 /nfs/dbraw/zinc/48/91/69/1340489169.db2.gz BQTSCJYCCGMXDO-LLVKDONJSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(C(F)(F)F)n1 ZINC001028218142 1340489172 /nfs/dbraw/zinc/48/91/72/1340489172.db2.gz BQTSCJYCCGMXDO-LLVKDONJSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cncc(C(F)(F)F)c1 ZINC001028242135 1340502864 /nfs/dbraw/zinc/50/28/64/1340502864.db2.gz CKFDHFUTSISROF-CYBMUJFWSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cncc(C(F)(F)F)c1 ZINC001028242135 1340502865 /nfs/dbraw/zinc/50/28/65/1340502865.db2.gz CKFDHFUTSISROF-CYBMUJFWSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)cc1 ZINC001028280137 1340533737 /nfs/dbraw/zinc/53/37/37/1340533737.db2.gz GTNFBQMMHAHXDU-OAHLLOKOSA-N 1 2 337.261 3.098 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)cc1 ZINC001028280137 1340533735 /nfs/dbraw/zinc/53/37/35/1340533735.db2.gz GTNFBQMMHAHXDU-OAHLLOKOSA-N 1 2 337.261 3.098 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C2CCCC2)no1 ZINC001028326675 1340566536 /nfs/dbraw/zinc/56/65/36/1340566536.db2.gz XBJHAAFWYQFWFS-AWEZNQCLSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(C2CCCC2)no1 ZINC001028326675 1340566542 /nfs/dbraw/zinc/56/65/42/1340566542.db2.gz XBJHAAFWYQFWFS-AWEZNQCLSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]c2ccccc2c1OC ZINC001028342479 1340582183 /nfs/dbraw/zinc/58/21/83/1340582183.db2.gz JEOBSAIKUNPYCI-CYBMUJFWSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]c2ccccc2c1OC ZINC001028342479 1340582188 /nfs/dbraw/zinc/58/21/88/1340582188.db2.gz JEOBSAIKUNPYCI-CYBMUJFWSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1csc(CC(C)C)n1 ZINC001028346939 1340585657 /nfs/dbraw/zinc/58/56/57/1340585657.db2.gz KKPFSNLNLZHAAC-CYBMUJFWSA-N 1 2 341.908 3.288 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1csc(CC(C)C)n1 ZINC001028346939 1340585660 /nfs/dbraw/zinc/58/56/60/1340585660.db2.gz KKPFSNLNLZHAAC-CYBMUJFWSA-N 1 2 341.908 3.288 20 30 EGEDLO C=CCOc1ccccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C\Cl ZINC001029364556 1340978156 /nfs/dbraw/zinc/97/81/56/1340978156.db2.gz DDTBWOFUNZHSSV-NTHXNSCSSA-N 1 2 346.858 3.293 20 30 EGEDLO C=CCOc1ccccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C\Cl ZINC001029364556 1340978157 /nfs/dbraw/zinc/97/81/57/1340978157.db2.gz DDTBWOFUNZHSSV-NTHXNSCSSA-N 1 2 346.858 3.293 20 30 EGEDLO C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2C#N)C[C@H]2C[C@H]2C1 ZINC001029408317 1340984550 /nfs/dbraw/zinc/98/45/50/1340984550.db2.gz RYMJLSQTEZKENB-AJXQKCMFSA-N 1 2 349.478 3.170 20 30 EGEDLO C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2C#N)C[C@H]2C[C@H]2C1 ZINC001029408317 1340984552 /nfs/dbraw/zinc/98/45/52/1340984552.db2.gz RYMJLSQTEZKENB-AJXQKCMFSA-N 1 2 349.478 3.170 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1oc(CC)nc1C ZINC001029454170 1340993721 /nfs/dbraw/zinc/99/37/21/1340993721.db2.gz TZHLYWWXKHSVRH-YRNRMSPPSA-N 1 2 345.487 3.323 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1oc(CC)nc1C ZINC001029454170 1340993723 /nfs/dbraw/zinc/99/37/23/1340993723.db2.gz TZHLYWWXKHSVRH-YRNRMSPPSA-N 1 2 345.487 3.323 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001029499480 1341001379 /nfs/dbraw/zinc/00/13/79/1341001379.db2.gz JQBBTCGGERQXHK-OLMNPRSZSA-N 1 2 343.446 3.165 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001029499480 1341001380 /nfs/dbraw/zinc/00/13/80/1341001380.db2.gz JQBBTCGGERQXHK-OLMNPRSZSA-N 1 2 343.446 3.165 20 30 EGEDLO C[C@@H]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)C1 ZINC001029501243 1341001897 /nfs/dbraw/zinc/00/18/97/1341001897.db2.gz KGPWHDSSCQHDJP-WLRLJWMZSA-N 1 2 336.479 3.150 20 30 EGEDLO C[C@@H]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)C1 ZINC001029501243 1341001898 /nfs/dbraw/zinc/00/18/98/1341001898.db2.gz KGPWHDSSCQHDJP-WLRLJWMZSA-N 1 2 336.479 3.150 20 30 EGEDLO C=CCn1cccc1C(=O)NC1C[NH+]([C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC001030447747 1341188462 /nfs/dbraw/zinc/18/84/62/1341188462.db2.gz KBRIDKXQNSRBES-INIZCTEOSA-N 1 2 349.478 3.338 20 30 EGEDLO C=C1CCC(C(=O)NC2C[NH+](Cc3cccc(OC)c3C)C2)CC1 ZINC001030903591 1341246796 /nfs/dbraw/zinc/24/67/96/1341246796.db2.gz MBMFIBWBCPUFKJ-UHFFFAOYSA-N 1 2 328.456 3.050 20 30 EGEDLO C[C@@H]1CCC[C@H](C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)C1 ZINC001031939904 1341426916 /nfs/dbraw/zinc/42/69/16/1341426916.db2.gz VYQBWHCFQHUYTF-APWZRJJASA-N 1 2 342.458 3.052 20 30 EGEDLO C[C@@H]1CCC[C@@H](C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)C1 ZINC001031939909 1341427045 /nfs/dbraw/zinc/42/70/45/1341427045.db2.gz VYQBWHCFQHUYTF-VQIMIIECSA-N 1 2 342.458 3.052 20 30 EGEDLO C=Cc1ccc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)cc1 ZINC001031999044 1341437366 /nfs/dbraw/zinc/43/73/66/1341437366.db2.gz FMSDFDWVPXWRGF-UHFFFAOYSA-N 1 2 348.421 3.182 20 30 EGEDLO CC(C)[C@@H]1C[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001032084986 1341450582 /nfs/dbraw/zinc/45/05/82/1341450582.db2.gz QCUYLBXUCIHRPH-RBUKOAKNSA-N 1 2 344.886 3.032 20 30 EGEDLO CC[C@@H]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001032086881 1341451488 /nfs/dbraw/zinc/45/14/88/1341451488.db2.gz CJPGMSKYDUQGGW-XLIONFOSSA-N 1 2 339.483 3.323 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2(C3CCC3)CCC2)c1 ZINC001032543544 1341535701 /nfs/dbraw/zinc/53/57/01/1341535701.db2.gz BWCYDYILXKZWCL-PMACEKPBSA-N 1 2 349.478 3.314 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2(C3CCC3)CCC2)c1 ZINC001032543544 1341535702 /nfs/dbraw/zinc/53/57/02/1341535702.db2.gz BWCYDYILXKZWCL-PMACEKPBSA-N 1 2 349.478 3.314 20 30 EGEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](F)c2ccccc2)cc1 ZINC001032653201 1341571151 /nfs/dbraw/zinc/57/11/51/1341571151.db2.gz MVQJSSDMNQJDBC-UFYCRDLUSA-N 1 2 349.409 3.054 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](F)c2ccccc2)cc1 ZINC001032653201 1341571152 /nfs/dbraw/zinc/57/11/52/1341571152.db2.gz MVQJSSDMNQJDBC-UFYCRDLUSA-N 1 2 349.409 3.054 20 30 EGEDLO CN(C(=O)[C@@H]1CC=CCC1)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032900973 1341657881 /nfs/dbraw/zinc/65/78/81/1341657881.db2.gz MHWMEZZIRNNGFG-BEFAXECRSA-N 1 2 341.430 3.086 20 30 EGEDLO CN(C(=O)[C@@H]1CC=CCC1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032900973 1341657882 /nfs/dbraw/zinc/65/78/82/1341657882.db2.gz MHWMEZZIRNNGFG-BEFAXECRSA-N 1 2 341.430 3.086 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001033083955 1341719010 /nfs/dbraw/zinc/71/90/10/1341719010.db2.gz AXGWHJZNBKRQAT-KSZLIROESA-N 1 2 332.875 3.465 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001033083955 1341719011 /nfs/dbraw/zinc/71/90/11/1341719011.db2.gz AXGWHJZNBKRQAT-KSZLIROESA-N 1 2 332.875 3.465 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC001033132086 1341735575 /nfs/dbraw/zinc/73/55/75/1341735575.db2.gz PHKXCKZOHGUPCR-MRXNPFEDSA-N 1 2 336.838 3.143 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC001033132086 1341735576 /nfs/dbraw/zinc/73/55/76/1341735576.db2.gz PHKXCKZOHGUPCR-MRXNPFEDSA-N 1 2 336.838 3.143 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001033272260 1341765408 /nfs/dbraw/zinc/76/54/08/1341765408.db2.gz PKMNWJXXJCPMIY-ZWKOTPCHSA-N 1 2 332.875 3.465 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001033272260 1341765411 /nfs/dbraw/zinc/76/54/11/1341765411.db2.gz PKMNWJXXJCPMIY-ZWKOTPCHSA-N 1 2 332.875 3.465 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2cccc3cccnc32)C1 ZINC001033316374 1341778860 /nfs/dbraw/zinc/77/88/60/1341778860.db2.gz XJWOSJYKSOTCOL-QGZVFWFLSA-N 1 2 343.858 3.063 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cccc3cccnc32)C1 ZINC001033316374 1341778861 /nfs/dbraw/zinc/77/88/61/1341778861.db2.gz XJWOSJYKSOTCOL-QGZVFWFLSA-N 1 2 343.858 3.063 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3csc(CCC)n3)C2)C1 ZINC001033401098 1341814542 /nfs/dbraw/zinc/81/45/42/1341814542.db2.gz YSSUDQLVQXISEE-MRXNPFEDSA-N 1 2 347.528 3.485 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@H+](Cc3csc(CCC)n3)C2)C1 ZINC001033401098 1341814543 /nfs/dbraw/zinc/81/45/43/1341814543.db2.gz YSSUDQLVQXISEE-MRXNPFEDSA-N 1 2 347.528 3.485 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2ccc(Cl)cc2)C1 ZINC001033632265 1341913045 /nfs/dbraw/zinc/91/30/45/1341913045.db2.gz WLJNAMJWYHDAOL-HNNXBMFYSA-N 1 2 327.255 3.168 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc(Cl)cc2)C1 ZINC001033632265 1341913050 /nfs/dbraw/zinc/91/30/50/1341913050.db2.gz WLJNAMJWYHDAOL-HNNXBMFYSA-N 1 2 327.255 3.168 20 30 EGEDLO CCN(C(=O)C1=CCCC1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033797270 1342014506 /nfs/dbraw/zinc/01/45/06/1342014506.db2.gz WJWNQFBGJSIQAQ-LJQANCHMSA-N 1 2 341.430 3.230 20 30 EGEDLO CCN(C(=O)C1=CCCC1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033797270 1342014512 /nfs/dbraw/zinc/01/45/12/1342014512.db2.gz WJWNQFBGJSIQAQ-LJQANCHMSA-N 1 2 341.430 3.230 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc(F)ccc2OC)C1 ZINC001033917120 1342086213 /nfs/dbraw/zinc/08/62/13/1342086213.db2.gz WCPGTYFDOMMMNZ-AWEZNQCLSA-N 1 2 340.826 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(F)ccc2OC)C1 ZINC001033917120 1342086215 /nfs/dbraw/zinc/08/62/15/1342086215.db2.gz WCPGTYFDOMMMNZ-AWEZNQCLSA-N 1 2 340.826 3.123 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC23CCC3)C1 ZINC001033968516 1342119992 /nfs/dbraw/zinc/11/99/92/1342119992.db2.gz NQLCSLXUTPUNIF-ZIAGYGMSSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC23CCC3)C1 ZINC001033968516 1342119994 /nfs/dbraw/zinc/11/99/94/1342119994.db2.gz NQLCSLXUTPUNIF-ZIAGYGMSSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(COC)cs2)C1 ZINC001034293524 1342376789 /nfs/dbraw/zinc/37/67/89/1342376789.db2.gz XMYHULXCMUZEPI-CQSZACIVSA-N 1 2 342.892 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(COC)cs2)C1 ZINC001034293524 1342376791 /nfs/dbraw/zinc/37/67/91/1342376791.db2.gz XMYHULXCMUZEPI-CQSZACIVSA-N 1 2 342.892 3.231 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2nc(Cl)sc2C)C1 ZINC001034304985 1342387177 /nfs/dbraw/zinc/38/71/77/1342387177.db2.gz BIYGXNIWQCTODP-LLVKDONJSA-N 1 2 348.299 3.442 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2nc(Cl)sc2C)C1 ZINC001034304985 1342387181 /nfs/dbraw/zinc/38/71/81/1342387181.db2.gz BIYGXNIWQCTODP-LLVKDONJSA-N 1 2 348.299 3.442 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001034390283 1342459355 /nfs/dbraw/zinc/45/93/55/1342459355.db2.gz YIWHDTXIYFTVJX-CQSZACIVSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001034390283 1342459357 /nfs/dbraw/zinc/45/93/57/1342459357.db2.gz YIWHDTXIYFTVJX-CQSZACIVSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@@H+](Cc3nc(C)c(C)o3)C2)C1 ZINC001034390407 1342459786 /nfs/dbraw/zinc/45/97/86/1342459786.db2.gz ZWMGYEJJQDMBPQ-INIZCTEOSA-N 1 2 331.460 3.118 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@H+](Cc3nc(C)c(C)o3)C2)C1 ZINC001034390407 1342459789 /nfs/dbraw/zinc/45/97/89/1342459789.db2.gz ZWMGYEJJQDMBPQ-INIZCTEOSA-N 1 2 331.460 3.118 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ncccc2Cl)C1 ZINC001034497191 1342553203 /nfs/dbraw/zinc/55/32/03/1342553203.db2.gz PNCIRKRKZAMVNX-GFCCVEGCSA-N 1 2 328.243 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ncccc2Cl)C1 ZINC001034497191 1342553206 /nfs/dbraw/zinc/55/32/06/1342553206.db2.gz PNCIRKRKZAMVNX-GFCCVEGCSA-N 1 2 328.243 3.072 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C2CCC2)no1 ZINC001035011242 1342875005 /nfs/dbraw/zinc/87/50/05/1342875005.db2.gz UAFZQYLMPDODQO-OAHLLOKOSA-N 1 2 346.475 3.020 20 30 EGEDLO C[C@@H](C#N)C(=O)N1CCC2(C[NH+](Cc3ccc(F)c(Cl)c3)C2)CC1 ZINC001035672131 1343130797 /nfs/dbraw/zinc/13/07/97/1343130797.db2.gz GLCOOPSNVSONME-ZDUSSCGKSA-N 1 2 349.837 3.063 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC2(C[NH+]([C@H](C)c3ncccn3)C2)CC1 ZINC001035766906 1343179168 /nfs/dbraw/zinc/17/91/68/1343179168.db2.gz LRWVOUWEDXXLCY-MRXNPFEDSA-N 1 2 342.487 3.064 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC3(C[NH+](Cc4nc(C)cs4)C3)CC2)C1 ZINC001035790416 1343201769 /nfs/dbraw/zinc/20/17/69/1343201769.db2.gz COHNEGBOICHGNL-UHFFFAOYSA-N 1 2 345.512 3.232 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cccc(OCC)c1)CC2 ZINC001035803853 1343206268 /nfs/dbraw/zinc/20/62/68/1343206268.db2.gz HIOIRXFNAYNJGL-UHFFFAOYSA-N 1 2 348.874 3.376 20 30 EGEDLO CC1=C(C)C[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)CC1 ZINC001038290297 1344361061 /nfs/dbraw/zinc/36/10/61/1344361061.db2.gz VGICYGBHJVSMFZ-SFTDATJTSA-N 1 2 336.479 3.365 20 30 EGEDLO CC1=C(C)C[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CC#Cc2ccccc2)CC1 ZINC001038290297 1344361064 /nfs/dbraw/zinc/36/10/64/1344361064.db2.gz VGICYGBHJVSMFZ-SFTDATJTSA-N 1 2 336.479 3.365 20 30 EGEDLO Cc1oc(C)c(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)c1C ZINC001038483089 1344446122 /nfs/dbraw/zinc/44/61/22/1344446122.db2.gz DTXOEQAHFUSLQX-GOSISDBHSA-N 1 2 337.423 3.081 20 30 EGEDLO Cc1oc(C)c(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)c1C ZINC001038483089 1344446126 /nfs/dbraw/zinc/44/61/26/1344446126.db2.gz DTXOEQAHFUSLQX-GOSISDBHSA-N 1 2 337.423 3.081 20 30 EGEDLO CCCc1ccccc1C(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001038500205 1344455105 /nfs/dbraw/zinc/45/51/05/1344455105.db2.gz FGDKWPLISSLWPO-NRFANRHFSA-N 1 2 346.474 3.495 20 30 EGEDLO CCCc1ccccc1C(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001038500205 1344455107 /nfs/dbraw/zinc/45/51/07/1344455107.db2.gz FGDKWPLISSLWPO-NRFANRHFSA-N 1 2 346.474 3.495 20 30 EGEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001038540008 1344473851 /nfs/dbraw/zinc/47/38/51/1344473851.db2.gz GUQARXLETTZYSD-WOZUAGRISA-N 1 2 336.479 3.055 20 30 EGEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001038540008 1344473852 /nfs/dbraw/zinc/47/38/52/1344473852.db2.gz GUQARXLETTZYSD-WOZUAGRISA-N 1 2 336.479 3.055 20 30 EGEDLO CC1(C)CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)C1 ZINC001038674039 1344536489 /nfs/dbraw/zinc/53/64/89/1344536489.db2.gz MJCRIPCDGWIGBJ-KBPBESRZSA-N 1 2 331.485 3.137 20 30 EGEDLO CC1(C)CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)C1 ZINC001038674039 1344536491 /nfs/dbraw/zinc/53/64/91/1344536491.db2.gz MJCRIPCDGWIGBJ-KBPBESRZSA-N 1 2 331.485 3.137 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2occ3c2CCCC3)c1 ZINC001038959792 1344683084 /nfs/dbraw/zinc/68/30/84/1344683084.db2.gz YNRVBBAFXCCQNN-SFHVURJKSA-N 1 2 349.434 3.034 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2occ3c2CCCC3)c1 ZINC001038959792 1344683089 /nfs/dbraw/zinc/68/30/89/1344683089.db2.gz YNRVBBAFXCCQNN-SFHVURJKSA-N 1 2 349.434 3.034 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc3ccccc3o2)cc1 ZINC001038991513 1344701657 /nfs/dbraw/zinc/70/16/57/1344701657.db2.gz KATDUEAXFRFDOL-GOSISDBHSA-N 1 2 345.402 3.309 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc3ccccc3o2)cc1 ZINC001038991513 1344701660 /nfs/dbraw/zinc/70/16/60/1344701660.db2.gz KATDUEAXFRFDOL-GOSISDBHSA-N 1 2 345.402 3.309 20 30 EGEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C12CCC(CC1)CC2 ZINC001039038256 1344727019 /nfs/dbraw/zinc/72/70/19/1344727019.db2.gz AQIIXJOWKKGYRK-FUHYEJFZSA-N 1 2 336.479 3.199 20 30 EGEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C12CCC(CC1)CC2 ZINC001039038256 1344727023 /nfs/dbraw/zinc/72/70/23/1344727023.db2.gz AQIIXJOWKKGYRK-FUHYEJFZSA-N 1 2 336.479 3.199 20 30 EGEDLO CC1(C)CCC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)C1 ZINC001039059071 1344742481 /nfs/dbraw/zinc/74/24/81/1344742481.db2.gz BFWBLPZLKNNZFM-PMACEKPBSA-N 1 2 338.495 3.445 20 30 EGEDLO CC1(C)CCC[C@H](C(=O)NC[C@@H]2CC[N@H+]2CC#Cc2ccccc2)C1 ZINC001039059071 1344742485 /nfs/dbraw/zinc/74/24/85/1344742485.db2.gz BFWBLPZLKNNZFM-PMACEKPBSA-N 1 2 338.495 3.445 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c1CCCC2 ZINC001039387637 1345039623 /nfs/dbraw/zinc/03/96/23/1345039623.db2.gz CHWLUUVINYPOMN-CVEARBPZSA-N 1 2 347.890 3.256 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c1CCCC2 ZINC001039387637 1345039627 /nfs/dbraw/zinc/03/96/27/1345039627.db2.gz CHWLUUVINYPOMN-CVEARBPZSA-N 1 2 347.890 3.256 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C(C)C)on1 ZINC001039413679 1345055787 /nfs/dbraw/zinc/05/57/87/1345055787.db2.gz XXPZOEOUQDZNJW-KGLIPLIRSA-N 1 2 337.851 3.229 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C(C)C)on1 ZINC001039413679 1345055789 /nfs/dbraw/zinc/05/57/89/1345055789.db2.gz XXPZOEOUQDZNJW-KGLIPLIRSA-N 1 2 337.851 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC1CCOCC1 ZINC001039447513 1345072598 /nfs/dbraw/zinc/07/25/98/1345072598.db2.gz QDFQINHIJHHPHW-SJORKVTESA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC1CCOCC1 ZINC001039447513 1345072602 /nfs/dbraw/zinc/07/26/02/1345072602.db2.gz QDFQINHIJHHPHW-SJORKVTESA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc(C)cc1 ZINC001039466760 1345084816 /nfs/dbraw/zinc/08/48/16/1345084816.db2.gz CRZDSGIQICDCDP-SJORKVTESA-N 1 2 348.874 3.192 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc(C)cc1 ZINC001039466760 1345084819 /nfs/dbraw/zinc/08/48/19/1345084819.db2.gz CRZDSGIQICDCDP-SJORKVTESA-N 1 2 348.874 3.192 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(COC)cc1 ZINC001039468347 1345085988 /nfs/dbraw/zinc/08/59/88/1345085988.db2.gz HMZXPSIUWKSMGH-MSOLQXFVSA-N 1 2 348.874 3.264 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(COC)cc1 ZINC001039468347 1345085994 /nfs/dbraw/zinc/08/59/94/1345085994.db2.gz HMZXPSIUWKSMGH-MSOLQXFVSA-N 1 2 348.874 3.264 20 30 EGEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCc1ccccc1Cl ZINC001039531429 1345132057 /nfs/dbraw/zinc/13/20/57/1345132057.db2.gz OSYOSDXIFBFCLI-OIISXLGYSA-N 1 2 345.874 3.107 20 30 EGEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCc1ccccc1Cl ZINC001039531429 1345132059 /nfs/dbraw/zinc/13/20/59/1345132059.db2.gz OSYOSDXIFBFCLI-OIISXLGYSA-N 1 2 345.874 3.107 20 30 EGEDLO C=CCn1cccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H](F)CC ZINC001039644561 1345152480 /nfs/dbraw/zinc/15/24/80/1345152480.db2.gz JEPYOGJQDMZCGR-YESZJQIVSA-N 1 2 333.451 3.101 20 30 EGEDLO C=CCn1cccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H](F)CC ZINC001039644561 1345152483 /nfs/dbraw/zinc/15/24/83/1345152483.db2.gz JEPYOGJQDMZCGR-YESZJQIVSA-N 1 2 333.451 3.101 20 30 EGEDLO Cc1cocc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1 ZINC001039834975 1345203483 /nfs/dbraw/zinc/20/34/83/1345203483.db2.gz UMAWWMKAUHEJFY-KDURUIRLSA-N 1 2 349.434 3.339 20 30 EGEDLO Cc1cocc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1 ZINC001039834975 1345203484 /nfs/dbraw/zinc/20/34/84/1345203484.db2.gz UMAWWMKAUHEJFY-KDURUIRLSA-N 1 2 349.434 3.339 20 30 EGEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](Cc3ccc(CC)cc3)C2)cc1 ZINC001043505758 1346184501 /nfs/dbraw/zinc/18/45/01/1346184501.db2.gz DSGHQXDRFZDASN-UHFFFAOYSA-N 1 2 332.447 3.187 20 30 EGEDLO C=C1CCC(C(=O)NC2(C)CC[NH+](Cc3nccs3)CC2)CC1 ZINC001045546736 1346626089 /nfs/dbraw/zinc/62/60/89/1346626089.db2.gz YCJGYONOFHNBBL-UHFFFAOYSA-N 1 2 333.501 3.360 20 30 EGEDLO Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3C#N)C2)s1 ZINC001046107681 1346847113 /nfs/dbraw/zinc/84/71/13/1346847113.db2.gz KRARUJFMBATDBL-IBGZPJMESA-N 1 2 339.464 3.323 20 30 EGEDLO Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3C#N)C2)s1 ZINC001046107681 1346847116 /nfs/dbraw/zinc/84/71/16/1346847116.db2.gz KRARUJFMBATDBL-IBGZPJMESA-N 1 2 339.464 3.323 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc3nccc(C)c3c2)C1 ZINC001046345750 1346943694 /nfs/dbraw/zinc/94/36/94/1346943694.db2.gz SCLXEVRDNGIRNF-IBGZPJMESA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc3nccc(C)c3c2)C1 ZINC001046345750 1346943695 /nfs/dbraw/zinc/94/36/95/1346943695.db2.gz SCLXEVRDNGIRNF-IBGZPJMESA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3ccc(OC)cc32)C1 ZINC001046386402 1346958632 /nfs/dbraw/zinc/95/86/32/1346958632.db2.gz FRTNSKUGNVPDCR-APWZRJJASA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3ccc(OC)cc32)C1 ZINC001046386402 1346958634 /nfs/dbraw/zinc/95/86/34/1346958634.db2.gz FRTNSKUGNVPDCR-APWZRJJASA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnc(-c3ccccc3)o2)C1 ZINC001046403036 1346961908 /nfs/dbraw/zinc/96/19/08/1346961908.db2.gz MZIYBLWZLYSUBQ-GOSISDBHSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnc(-c3ccccc3)o2)C1 ZINC001046403036 1346961909 /nfs/dbraw/zinc/96/19/09/1346961909.db2.gz MZIYBLWZLYSUBQ-GOSISDBHSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cccc([C@H]3CCOC3)c2)C1 ZINC001046432727 1346974152 /nfs/dbraw/zinc/97/41/52/1346974152.db2.gz UOYFVVSTCQZRKX-HKUYNNGSSA-N 1 2 348.874 3.137 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cccc([C@H]3CCOC3)c2)C1 ZINC001046432727 1346974154 /nfs/dbraw/zinc/97/41/54/1346974154.db2.gz UOYFVVSTCQZRKX-HKUYNNGSSA-N 1 2 348.874 3.137 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc3c(c2)C(C)(C)CO3)C1 ZINC001046478019 1346988461 /nfs/dbraw/zinc/98/84/61/1346988461.db2.gz WMIXYFQKOLJNLA-LJQANCHMSA-N 1 2 348.874 3.303 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3c(c2)C(C)(C)CO3)C1 ZINC001046478019 1346988463 /nfs/dbraw/zinc/98/84/63/1346988463.db2.gz WMIXYFQKOLJNLA-LJQANCHMSA-N 1 2 348.874 3.303 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2nccc3ccccc32)C1 ZINC001046581311 1347024976 /nfs/dbraw/zinc/02/49/76/1347024976.db2.gz JFGFQVSOFNCTGI-GOSISDBHSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2nccc3ccccc32)C1 ZINC001046581311 1347024979 /nfs/dbraw/zinc/02/49/79/1347024979.db2.gz JFGFQVSOFNCTGI-GOSISDBHSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C1CCC(C(=O)N[C@@]2(C)CC[N@@H+](Cc3csc(C)n3)C2)CC1 ZINC001046596975 1347032468 /nfs/dbraw/zinc/03/24/68/1347032468.db2.gz DIMBDXKYMOKTPK-SFHVURJKSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C1CCC(C(=O)N[C@@]2(C)CC[N@H+](Cc3csc(C)n3)C2)CC1 ZINC001046596975 1347032469 /nfs/dbraw/zinc/03/24/69/1347032469.db2.gz DIMBDXKYMOKTPK-SFHVURJKSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001046700027 1347066931 /nfs/dbraw/zinc/06/69/31/1347066931.db2.gz VVVLJRAUYMYYGD-YQVWRLOYSA-N 1 2 332.875 3.432 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001046700027 1347066932 /nfs/dbraw/zinc/06/69/32/1347066932.db2.gz VVVLJRAUYMYYGD-YQVWRLOYSA-N 1 2 332.875 3.432 20 30 EGEDLO C[C@]1(NC(=O)c2ccc(F)s2)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046868633 1347139813 /nfs/dbraw/zinc/13/98/13/1347139813.db2.gz XXCMTLADMJHIEZ-IBGZPJMESA-N 1 2 342.439 3.133 20 30 EGEDLO C[C@]1(NC(=O)c2ccc(F)s2)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046868633 1347139814 /nfs/dbraw/zinc/13/98/14/1347139814.db2.gz XXCMTLADMJHIEZ-IBGZPJMESA-N 1 2 342.439 3.133 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CC3(CCC3)C2)C1 ZINC001046961868 1347166588 /nfs/dbraw/zinc/16/65/88/1347166588.db2.gz TYHSRQZSYJIUCN-AWEZNQCLSA-N 1 2 346.849 3.393 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CC3(CCC3)C2)C1 ZINC001046961868 1347166599 /nfs/dbraw/zinc/16/65/99/1347166599.db2.gz TYHSRQZSYJIUCN-AWEZNQCLSA-N 1 2 346.849 3.393 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(F)cc3ccncc32)C1 ZINC001079714493 1357354954 /nfs/dbraw/zinc/35/49/54/1357354954.db2.gz AIBKGEIDICIHMB-PIGZYNQJSA-N 1 2 347.821 3.177 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(F)cc3ccncc32)C1 ZINC001079714493 1357354958 /nfs/dbraw/zinc/35/49/58/1357354958.db2.gz AIBKGEIDICIHMB-PIGZYNQJSA-N 1 2 347.821 3.177 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc2cnccc2o1 ZINC001049571032 1347915371 /nfs/dbraw/zinc/91/53/71/1347915371.db2.gz BHXCVBBFPDDJOI-HUUCEWRRSA-N 1 2 345.830 3.259 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc2cnccc2o1 ZINC001049571032 1347915372 /nfs/dbraw/zinc/91/53/72/1347915372.db2.gz BHXCVBBFPDDJOI-HUUCEWRRSA-N 1 2 345.830 3.259 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3Cc2coc(C)n2)CC1 ZINC001049691083 1347973864 /nfs/dbraw/zinc/97/38/64/1347973864.db2.gz UCULPTJWDRXRJC-RBUKOAKNSA-N 1 2 343.471 3.295 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3Cc2coc(C)n2)CC1 ZINC001049691083 1347973870 /nfs/dbraw/zinc/97/38/70/1347973870.db2.gz UCULPTJWDRXRJC-RBUKOAKNSA-N 1 2 343.471 3.295 20 30 EGEDLO CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001049855052 1348061892 /nfs/dbraw/zinc/06/18/92/1348061892.db2.gz AOQHCVUVEWTNTR-MSOLQXFVSA-N 1 2 343.446 3.309 20 30 EGEDLO CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001049855052 1348061894 /nfs/dbraw/zinc/06/18/94/1348061894.db2.gz AOQHCVUVEWTNTR-MSOLQXFVSA-N 1 2 343.446 3.309 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(CCC)s1 ZINC001050942705 1348375626 /nfs/dbraw/zinc/37/56/26/1348375626.db2.gz GHQHIDFXRDFLPW-OAHLLOKOSA-N 1 2 336.501 3.097 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(CCC)s1 ZINC001050942705 1348375628 /nfs/dbraw/zinc/37/56/28/1348375628.db2.gz GHQHIDFXRDFLPW-OAHLLOKOSA-N 1 2 336.501 3.097 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1coc2cc(C)c(C)cc21 ZINC001051046277 1348387055 /nfs/dbraw/zinc/38/70/55/1348387055.db2.gz LQZJNMJQIXEVOX-INIZCTEOSA-N 1 2 342.439 3.056 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1coc2cc(C)c(C)cc21 ZINC001051046277 1348387059 /nfs/dbraw/zinc/38/70/59/1348387059.db2.gz LQZJNMJQIXEVOX-INIZCTEOSA-N 1 2 342.439 3.056 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc(C2CCCC2)c1 ZINC001051209536 1348403254 /nfs/dbraw/zinc/40/32/54/1348403254.db2.gz KSVHBJNVHTZHTF-FQEVSTJZSA-N 1 2 342.483 3.351 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc(C2CCCC2)c1 ZINC001051209536 1348403255 /nfs/dbraw/zinc/40/32/55/1348403255.db2.gz KSVHBJNVHTZHTF-FQEVSTJZSA-N 1 2 342.483 3.351 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)c3cccn3C)cccc2C1 ZINC001051279099 1348415558 /nfs/dbraw/zinc/41/55/58/1348415558.db2.gz SPLSWWMWFZXOCG-UHFFFAOYSA-N 1 2 343.858 3.066 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)c3cccn3C)cccc2C1 ZINC001051279099 1348415560 /nfs/dbraw/zinc/41/55/60/1348415560.db2.gz SPLSWWMWFZXOCG-UHFFFAOYSA-N 1 2 343.858 3.066 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](Cc3nnc(C)s3)CC2)CC1 ZINC001052682469 1348629666 /nfs/dbraw/zinc/62/96/66/1348629666.db2.gz UUFPMMRGWHMOEY-INIZCTEOSA-N 1 2 348.516 3.064 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](Cc3nnc(C)s3)CC2)CC1 ZINC001052682469 1348629669 /nfs/dbraw/zinc/62/96/69/1348629669.db2.gz UUFPMMRGWHMOEY-INIZCTEOSA-N 1 2 348.516 3.064 20 30 EGEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001054037091 1349132965 /nfs/dbraw/zinc/13/29/65/1349132965.db2.gz WTRAJRIWHXVEFK-LJQANCHMSA-N 1 2 336.435 3.076 20 30 EGEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001054037091 1349132969 /nfs/dbraw/zinc/13/29/69/1349132969.db2.gz WTRAJRIWHXVEFK-LJQANCHMSA-N 1 2 336.435 3.076 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001054041192 1349136655 /nfs/dbraw/zinc/13/66/55/1349136655.db2.gz JEKKCMOMYNIGEH-TZIWHRDSSA-N 1 2 336.479 3.299 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001054041192 1349136658 /nfs/dbraw/zinc/13/66/58/1349136658.db2.gz JEKKCMOMYNIGEH-TZIWHRDSSA-N 1 2 336.479 3.299 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc(C)nc3C(C)C)cc2C1 ZINC001054275129 1349275876 /nfs/dbraw/zinc/27/58/76/1349275876.db2.gz FCALKIZDCRSZLZ-UHFFFAOYSA-N 1 2 347.462 3.392 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc(C)nc3C(C)C)cc2C1 ZINC001054275129 1349275877 /nfs/dbraw/zinc/27/58/77/1349275877.db2.gz FCALKIZDCRSZLZ-UHFFFAOYSA-N 1 2 347.462 3.392 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc(C)nc3C3CC3)cc2C1 ZINC001054276382 1349276771 /nfs/dbraw/zinc/27/67/71/1349276771.db2.gz ZBLIRAGILLHAGJ-UHFFFAOYSA-N 1 2 345.446 3.146 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc(C)nc3C3CC3)cc2C1 ZINC001054276382 1349276775 /nfs/dbraw/zinc/27/67/75/1349276775.db2.gz ZBLIRAGILLHAGJ-UHFFFAOYSA-N 1 2 345.446 3.146 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCc4ccccc4C3)cc2C1 ZINC001054283676 1349285323 /nfs/dbraw/zinc/28/53/23/1349285323.db2.gz NTERJFWGIYLVST-FQEVSTJZSA-N 1 2 344.458 3.057 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCc4ccccc4C3)cc2C1 ZINC001054283676 1349285328 /nfs/dbraw/zinc/28/53/28/1349285328.db2.gz NTERJFWGIYLVST-FQEVSTJZSA-N 1 2 344.458 3.057 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3c3cccc(C)c3)cc2C1 ZINC001054285534 1349288442 /nfs/dbraw/zinc/28/84/42/1349288442.db2.gz MVXRWWJUBAPWND-FCHUYYIVSA-N 1 2 344.458 3.364 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3c3cccc(C)c3)cc2C1 ZINC001054285534 1349288446 /nfs/dbraw/zinc/28/84/46/1349288446.db2.gz MVXRWWJUBAPWND-FCHUYYIVSA-N 1 2 344.458 3.364 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc4c(c3)CCCC4)cc2C1 ZINC001054291329 1349296939 /nfs/dbraw/zinc/29/69/39/1349296939.db2.gz IDYSVTJKZLKJKT-UHFFFAOYSA-N 1 2 344.458 3.444 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc4c(c3)CCCC4)cc2C1 ZINC001054291329 1349296940 /nfs/dbraw/zinc/29/69/40/1349296940.db2.gz IDYSVTJKZLKJKT-UHFFFAOYSA-N 1 2 344.458 3.444 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cccc(C4CC4)c3)cc2C1 ZINC001054292761 1349297780 /nfs/dbraw/zinc/29/77/80/1349297780.db2.gz SAMWTUUYRWSFMJ-UHFFFAOYSA-N 1 2 330.431 3.443 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cccc(C4CC4)c3)cc2C1 ZINC001054292761 1349297782 /nfs/dbraw/zinc/29/77/82/1349297782.db2.gz SAMWTUUYRWSFMJ-UHFFFAOYSA-N 1 2 330.431 3.443 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(-n3cccc3)c2)C1 ZINC001080064438 1357472697 /nfs/dbraw/zinc/47/26/97/1357472697.db2.gz ZOXYCZKLEMYVEF-RDTXWAMCSA-N 1 2 343.858 3.280 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(-n3cccc3)c2)C1 ZINC001080064438 1357472700 /nfs/dbraw/zinc/47/27/00/1357472700.db2.gz ZOXYCZKLEMYVEF-RDTXWAMCSA-N 1 2 343.858 3.280 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001057013962 1349974737 /nfs/dbraw/zinc/97/47/37/1349974737.db2.gz DDVYKKVBXFDHSW-OXQOHEQNSA-N 1 2 342.487 3.302 20 30 EGEDLO CC(C)c1cc(N[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)nc(C(C)C)[nH+]1 ZINC001057594558 1350085278 /nfs/dbraw/zinc/08/52/78/1350085278.db2.gz SXHLDOQMMBTOGD-LSDHHAIUSA-N 1 2 343.475 3.286 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H](CN(C)c2cc[nH+]c(C)n2)C1 ZINC001058703447 1350290031 /nfs/dbraw/zinc/29/00/31/1350290031.db2.gz SVJFTNPQLTXZFD-QFBILLFUSA-N 1 2 330.476 3.062 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2csc3c2CCCC3)C1 ZINC001080905619 1357762300 /nfs/dbraw/zinc/76/23/00/1357762300.db2.gz LWHNPAVFRDHUBA-IAQYHMDHSA-N 1 2 338.904 3.430 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2csc3c2CCCC3)C1 ZINC001080905619 1357762301 /nfs/dbraw/zinc/76/23/01/1357762301.db2.gz LWHNPAVFRDHUBA-IAQYHMDHSA-N 1 2 338.904 3.430 20 30 EGEDLO C=C(C)CCC(=O)N1CC(N(CC)C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001080236332 1357533856 /nfs/dbraw/zinc/53/38/56/1357533856.db2.gz MYYDUYQPNSQWOC-UHFFFAOYSA-N 1 2 343.471 3.036 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001060957555 1351191895 /nfs/dbraw/zinc/19/18/95/1351191895.db2.gz QAVMTJIFTJQPRB-OAHLLOKOSA-N 1 2 330.476 3.381 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccncc3Cl)C[C@H]2C)CC1 ZINC001080383440 1357597624 /nfs/dbraw/zinc/59/76/24/1357597624.db2.gz DXBLRYAKPIPENP-RDTXWAMCSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccncc3Cl)C[C@H]2C)CC1 ZINC001080383440 1357597629 /nfs/dbraw/zinc/59/76/29/1357597629.db2.gz DXBLRYAKPIPENP-RDTXWAMCSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001062577651 1351598263 /nfs/dbraw/zinc/59/82/63/1351598263.db2.gz LOWIZQMXGQVVTR-HOTGVXAUSA-N 1 2 340.471 3.054 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)[C@@H](C)C1 ZINC001067181345 1353330655 /nfs/dbraw/zinc/33/06/55/1353330655.db2.gz VCBZSSGBUMYIBS-ZFWWWQNUSA-N 1 2 330.476 3.379 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]2CN(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001067795562 1353527705 /nfs/dbraw/zinc/52/77/05/1353527705.db2.gz HZYPIBVGTVUZOB-QGZVFWFLSA-N 1 2 342.487 3.185 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)c1cccc(C)c1)C[C@@H](C)O2 ZINC001071121324 1354463490 /nfs/dbraw/zinc/46/34/90/1354463490.db2.gz AOTHQTNXCNQOPF-APWZRJJASA-N 1 2 348.874 3.053 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cccc(C)c1)C[C@@H](C)O2 ZINC001071121324 1354463493 /nfs/dbraw/zinc/46/34/93/1354463493.db2.gz AOTHQTNXCNQOPF-APWZRJJASA-N 1 2 348.874 3.053 20 30 EGEDLO C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)C(F)C(F)(F)F)C2)CC1 ZINC001086924366 1359249689 /nfs/dbraw/zinc/24/96/89/1359249689.db2.gz QGKJGMUZDOYQQC-STQMWFEESA-N 1 2 336.373 3.166 20 30 EGEDLO C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](F)C(F)(F)F)C2)CC1 ZINC001086924366 1359249694 /nfs/dbraw/zinc/24/96/94/1359249694.db2.gz QGKJGMUZDOYQQC-STQMWFEESA-N 1 2 336.373 3.166 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2ccc(F)cc2F)CC[C@H]1C ZINC001071523326 1354744398 /nfs/dbraw/zinc/74/43/98/1354744398.db2.gz XYRYMNUXWGLNTB-DOMZBBRYSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2ccc(F)cc2F)CC[C@H]1C ZINC001071523326 1354744401 /nfs/dbraw/zinc/74/44/01/1354744401.db2.gz XYRYMNUXWGLNTB-DOMZBBRYSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc(F)c(F)c2)CC[C@H]1C ZINC001071569014 1354769796 /nfs/dbraw/zinc/76/97/96/1354769796.db2.gz VHFNORHZPVPGNW-YPMHNXCESA-N 1 2 328.790 3.300 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc(F)c(F)c2)CC[C@H]1C ZINC001071569014 1354769798 /nfs/dbraw/zinc/76/97/98/1354769798.db2.gz VHFNORHZPVPGNW-YPMHNXCESA-N 1 2 328.790 3.300 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccccc2COC)CC[C@H]1C ZINC001071642314 1354821404 /nfs/dbraw/zinc/82/14/04/1354821404.db2.gz NZOJAUQMSGTKAJ-ZBFHGGJFSA-N 1 2 336.863 3.168 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccccc2COC)CC[C@H]1C ZINC001071642314 1354821405 /nfs/dbraw/zinc/82/14/05/1354821405.db2.gz NZOJAUQMSGTKAJ-ZBFHGGJFSA-N 1 2 336.863 3.168 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc(C)ccc2OC)CC[C@@H]1C ZINC001071658616 1354831379 /nfs/dbraw/zinc/83/13/79/1354831379.db2.gz FRWFMMCKVWOHRI-GJZGRUSLSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc(C)ccc2OC)CC[C@@H]1C ZINC001071658616 1354831385 /nfs/dbraw/zinc/83/13/85/1354831385.db2.gz FRWFMMCKVWOHRI-GJZGRUSLSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2Cc3ccccc3C2)CC[C@H]1C ZINC001071847571 1354978022 /nfs/dbraw/zinc/97/80/22/1354978022.db2.gz LSNFSSJLOGBGFQ-KDOFPFPSSA-N 1 2 332.875 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2Cc3ccccc3C2)CC[C@H]1C ZINC001071847571 1354978028 /nfs/dbraw/zinc/97/80/28/1354978028.db2.gz LSNFSSJLOGBGFQ-KDOFPFPSSA-N 1 2 332.875 3.123 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2cc(C)ccc2F)CC[C@@H]1C ZINC001072008580 1355072774 /nfs/dbraw/zinc/07/27/74/1355072774.db2.gz IQEUSYLYYSZVEO-GOEBONIOSA-N 1 2 338.854 3.398 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2cc(C)ccc2F)CC[C@@H]1C ZINC001072008580 1355072775 /nfs/dbraw/zinc/07/27/75/1355072775.db2.gz IQEUSYLYYSZVEO-GOEBONIOSA-N 1 2 338.854 3.398 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1csnc1C ZINC001089630071 1360548024 /nfs/dbraw/zinc/54/80/24/1360548024.db2.gz BAZZVCWJTDRWJF-ZDUSSCGKSA-N 1 2 341.908 3.424 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1csnc1C ZINC001089630071 1360548028 /nfs/dbraw/zinc/54/80/28/1360548028.db2.gz BAZZVCWJTDRWJF-ZDUSSCGKSA-N 1 2 341.908 3.424 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc(OCC)cc2)CC[C@H]1C ZINC001072037458 1355094714 /nfs/dbraw/zinc/09/47/14/1355094714.db2.gz PAOFGHZRAAKIKE-ZBFHGGJFSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc(OCC)cc2)CC[C@H]1C ZINC001072037458 1355094716 /nfs/dbraw/zinc/09/47/16/1355094716.db2.gz PAOFGHZRAAKIKE-ZBFHGGJFSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2ccc3c(c2)CCC3)CC[C@@H]1C ZINC001072070822 1355112459 /nfs/dbraw/zinc/11/24/59/1355112459.db2.gz SQPJKJDJCCMVOC-KXBFYZLASA-N 1 2 346.902 3.439 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2ccc3c(c2)CCC3)CC[C@@H]1C ZINC001072070822 1355112460 /nfs/dbraw/zinc/11/24/60/1355112460.db2.gz SQPJKJDJCCMVOC-KXBFYZLASA-N 1 2 346.902 3.439 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc(Cl)cn2CC)CC[C@@H]1C ZINC001072072763 1355112919 /nfs/dbraw/zinc/11/29/19/1355112919.db2.gz OXFDHXSZGAXZPC-GXTWGEPZSA-N 1 2 344.286 3.497 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc(Cl)cn2CC)CC[C@@H]1C ZINC001072072763 1355112924 /nfs/dbraw/zinc/11/29/24/1355112924.db2.gz OXFDHXSZGAXZPC-GXTWGEPZSA-N 1 2 344.286 3.497 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2c(C)nsc2C)CC[C@@H]1C ZINC001072105968 1355133765 /nfs/dbraw/zinc/13/37/65/1355133765.db2.gz NFQVVMIEBXRYGM-GXFFZTMASA-N 1 2 327.881 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2c(C)nsc2C)CC[C@@H]1C ZINC001072105968 1355133768 /nfs/dbraw/zinc/13/37/68/1355133768.db2.gz NFQVVMIEBXRYGM-GXFFZTMASA-N 1 2 327.881 3.095 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2csc(C3CC3)n2)CC[C@@H]1C ZINC001072112645 1355138012 /nfs/dbraw/zinc/13/80/12/1355138012.db2.gz DBCAPHFXPLSDKM-WCQYABFASA-N 1 2 339.892 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2csc(C3CC3)n2)CC[C@@H]1C ZINC001072112645 1355138015 /nfs/dbraw/zinc/13/80/15/1355138015.db2.gz DBCAPHFXPLSDKM-WCQYABFASA-N 1 2 339.892 3.356 20 30 EGEDLO CCCC(=O)N1CC2(C1)CC[N@H+](CC#Cc1ccccc1Cl)C2 ZINC001072397154 1355272512 /nfs/dbraw/zinc/27/25/12/1355272512.db2.gz MTOVECRVRNPXGH-UHFFFAOYSA-N 1 2 330.859 3.026 20 30 EGEDLO CCCC(=O)N1CC2(C1)CC[N@@H+](CC#Cc1ccccc1Cl)C2 ZINC001072397154 1355272515 /nfs/dbraw/zinc/27/25/15/1355272515.db2.gz MTOVECRVRNPXGH-UHFFFAOYSA-N 1 2 330.859 3.026 20 30 EGEDLO C=C1CCC(C(=O)N2CC3(C2)CC[N@@H+](Cc2csc(C)n2)C3)CC1 ZINC001072941190 1355510681 /nfs/dbraw/zinc/51/06/81/1355510681.db2.gz DZNJFKZBVTXUMB-UHFFFAOYSA-N 1 2 345.512 3.232 20 30 EGEDLO C=C1CCC(C(=O)N2CC3(C2)CC[N@H+](Cc2csc(C)n2)C3)CC1 ZINC001072941190 1355510685 /nfs/dbraw/zinc/51/06/85/1355510685.db2.gz DZNJFKZBVTXUMB-UHFFFAOYSA-N 1 2 345.512 3.232 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC=CCCC2)C1 ZINC001073651873 1355853670 /nfs/dbraw/zinc/85/36/70/1355853670.db2.gz JERIVFZVUINVNF-DLBZAZTESA-N 1 2 340.895 3.083 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC=CCCC2)C1 ZINC001073651873 1355853673 /nfs/dbraw/zinc/85/36/73/1355853673.db2.gz JERIVFZVUINVNF-DLBZAZTESA-N 1 2 340.895 3.083 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2OC(C)C)C1 ZINC001080821930 1357744367 /nfs/dbraw/zinc/74/43/67/1357744367.db2.gz HYYCGDJAOBIHDN-CZUORRHYSA-N 1 2 336.863 3.276 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2OC(C)C)C1 ZINC001080821930 1357744369 /nfs/dbraw/zinc/74/43/69/1357744369.db2.gz HYYCGDJAOBIHDN-CZUORRHYSA-N 1 2 336.863 3.276 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(CCC)cc3)C[C@H]21 ZINC001074326319 1356170691 /nfs/dbraw/zinc/17/06/91/1356170691.db2.gz CRNFKKIPUINXOT-WOJBJXKFSA-N 1 2 342.483 3.131 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(CCC)cc3)C[C@H]21 ZINC001074326319 1356170693 /nfs/dbraw/zinc/17/06/93/1356170693.db2.gz CRNFKKIPUINXOT-WOJBJXKFSA-N 1 2 342.483 3.131 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)C3CCCCC3)C[C@H]21 ZINC001074354891 1356180231 /nfs/dbraw/zinc/18/02/31/1356180231.db2.gz XTCYYWYCARMENP-MOPGFXCFSA-N 1 2 348.531 3.471 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)C3CCCCC3)C[C@H]21 ZINC001074354891 1356180232 /nfs/dbraw/zinc/18/02/32/1356180232.db2.gz XTCYYWYCARMENP-MOPGFXCFSA-N 1 2 348.531 3.471 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(C4CC4)c3)C[C@@H]21 ZINC001074415794 1356197633 /nfs/dbraw/zinc/19/76/33/1356197633.db2.gz WZYTXANLIKVRMN-VQTJNVASSA-N 1 2 340.467 3.055 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(C4CC4)c3)C[C@@H]21 ZINC001074415794 1356197635 /nfs/dbraw/zinc/19/76/35/1356197635.db2.gz WZYTXANLIKVRMN-VQTJNVASSA-N 1 2 340.467 3.055 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(F)c(F)c3F)[C@@H]2C1 ZINC001076192413 1356516625 /nfs/dbraw/zinc/51/66/25/1356516625.db2.gz YDAUQHWIBQOYDK-GXFFZTMASA-N 1 2 344.764 3.003 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(F)c(F)c3F)[C@@H]2C1 ZINC001076192413 1356516627 /nfs/dbraw/zinc/51/66/27/1356516627.db2.gz YDAUQHWIBQOYDK-GXFFZTMASA-N 1 2 344.764 3.003 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2nsc3ccccc23)C1 ZINC001080985218 1357774430 /nfs/dbraw/zinc/77/44/30/1357774430.db2.gz KRAZLBPNVVCKKF-IAQYHMDHSA-N 1 2 349.887 3.028 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2nsc3ccccc23)C1 ZINC001080985218 1357774434 /nfs/dbraw/zinc/77/44/34/1357774434.db2.gz KRAZLBPNVVCKKF-IAQYHMDHSA-N 1 2 349.887 3.028 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@]34C[C@H]3CCCC4)[C@@H]2C1 ZINC001084644489 1358267674 /nfs/dbraw/zinc/26/76/74/1358267674.db2.gz TUHYBITVOICBDF-NXLVEIQXSA-N 1 2 349.478 3.171 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@]34C[C@H]3CCCC4)[C@@H]2C1 ZINC001084644489 1358267677 /nfs/dbraw/zinc/26/76/77/1358267677.db2.gz TUHYBITVOICBDF-NXLVEIQXSA-N 1 2 349.478 3.171 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@H+](Cc4ccnc(Cl)c4)C[C@H]32)C1 ZINC001084645317 1358268510 /nfs/dbraw/zinc/26/85/10/1358268510.db2.gz NQVTUCRCBLMZPU-HZPDHXFCSA-N 1 2 345.874 3.124 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccnc(Cl)c4)C[C@H]32)C1 ZINC001084645317 1358268513 /nfs/dbraw/zinc/26/85/13/1358268513.db2.gz NQVTUCRCBLMZPU-HZPDHXFCSA-N 1 2 345.874 3.124 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C(C)C)nc3C)[C@@H]2C1 ZINC001084667555 1358272534 /nfs/dbraw/zinc/27/25/34/1358272534.db2.gz LDIPNOHSANNUES-CRAIPNDOSA-N 1 2 347.890 3.412 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C(C)C)nc3C)[C@@H]2C1 ZINC001084667555 1358272535 /nfs/dbraw/zinc/27/25/35/1358272535.db2.gz LDIPNOHSANNUES-CRAIPNDOSA-N 1 2 347.890 3.412 20 30 EGEDLO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4ccco4)s3)[C@@H]2C1 ZINC001084751188 1358299047 /nfs/dbraw/zinc/29/90/47/1358299047.db2.gz YKVVJLNLSUNIOM-HUUCEWRRSA-N 1 2 340.448 3.178 20 30 EGEDLO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4ccco4)s3)[C@@H]2C1 ZINC001084751188 1358299053 /nfs/dbraw/zinc/29/90/53/1358299053.db2.gz YKVVJLNLSUNIOM-HUUCEWRRSA-N 1 2 340.448 3.178 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F)C(=O)C1CC(C)(C)C1 ZINC001085578585 1358608396 /nfs/dbraw/zinc/60/83/96/1358608396.db2.gz RMJQOGLPMKHORI-QGZVFWFLSA-N 1 2 343.446 3.166 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1F)C(=O)C1CC(C)(C)C1 ZINC001085578585 1358608397 /nfs/dbraw/zinc/60/83/97/1358608397.db2.gz RMJQOGLPMKHORI-QGZVFWFLSA-N 1 2 343.446 3.166 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001085607738 1358629548 /nfs/dbraw/zinc/62/95/48/1358629548.db2.gz YQQXWEAEKDTSEE-HRQSHJORSA-N 1 2 349.478 3.193 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001085607738 1358629550 /nfs/dbraw/zinc/62/95/50/1358629550.db2.gz YQQXWEAEKDTSEE-HRQSHJORSA-N 1 2 349.478 3.193 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)[C@@H]1CCC1(C)C ZINC001085775453 1358748311 /nfs/dbraw/zinc/74/83/11/1358748311.db2.gz WCNDJCGZIGABJY-SJORKVTESA-N 1 2 343.446 3.166 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)[C@@H]1CCC1(C)C ZINC001085775453 1358748317 /nfs/dbraw/zinc/74/83/17/1358748317.db2.gz WCNDJCGZIGABJY-SJORKVTESA-N 1 2 343.446 3.166 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)c1ccoc1C1CC1 ZINC001085785299 1358761007 /nfs/dbraw/zinc/76/10/07/1358761007.db2.gz NRHMIYWKYPGRDP-LJQANCHMSA-N 1 2 348.446 3.355 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)c1ccoc1C1CC1 ZINC001085785299 1358761011 /nfs/dbraw/zinc/76/10/11/1358761011.db2.gz NRHMIYWKYPGRDP-LJQANCHMSA-N 1 2 348.446 3.355 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)N1CCC12CCCC2 ZINC001183829473 1387355785 /nfs/dbraw/zinc/35/57/85/1387355785.db2.gz VGWZODOEDJCXDR-LJQANCHMSA-N 1 2 337.467 3.458 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC12CCCC2 ZINC001183829473 1387355790 /nfs/dbraw/zinc/35/57/90/1387355790.db2.gz VGWZODOEDJCXDR-LJQANCHMSA-N 1 2 337.467 3.458 20 30 EGEDLO N#Cc1cccc(C(F)(F)F)c1NC(=O)CCc1ccc(N)[nH+]c1 ZINC001183935345 1387373262 /nfs/dbraw/zinc/37/32/62/1387373262.db2.gz URRJWSVRJPVDBU-UHFFFAOYSA-N 1 2 334.301 3.126 20 30 EGEDLO C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccns2)C1 ZINC001087455858 1359475158 /nfs/dbraw/zinc/47/51/58/1359475158.db2.gz RLKHAGXOLZUVBA-HZPDHXFCSA-N 1 2 345.443 3.056 20 30 EGEDLO C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccns2)C1 ZINC001087455858 1359475161 /nfs/dbraw/zinc/47/51/61/1359475161.db2.gz RLKHAGXOLZUVBA-HZPDHXFCSA-N 1 2 345.443 3.056 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C2CC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087533008 1359515036 /nfs/dbraw/zinc/51/50/36/1359515036.db2.gz IMDSXTXYSHBIBN-FASAQXTFSA-N 1 2 343.446 3.213 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C2CC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087533008 1359515040 /nfs/dbraw/zinc/51/50/40/1359515040.db2.gz IMDSXTXYSHBIBN-FASAQXTFSA-N 1 2 343.446 3.213 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2(C)CC=CC2)[C@H]1CC ZINC001087712928 1359605280 /nfs/dbraw/zinc/60/52/80/1359605280.db2.gz JMROJUCZGDRDJP-UONOGXRCSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2(C)CC=CC2)[C@H]1CC ZINC001087712928 1359605282 /nfs/dbraw/zinc/60/52/82/1359605282.db2.gz JMROJUCZGDRDJP-UONOGXRCSA-N 1 2 341.293 3.220 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2ccsc2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088459275 1359920948 /nfs/dbraw/zinc/92/09/48/1359920948.db2.gz JIXFDVRWCHWTPG-PXAZEXFGSA-N 1 2 343.427 3.152 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2ccsc2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088459275 1359920950 /nfs/dbraw/zinc/92/09/50/1359920950.db2.gz JIXFDVRWCHWTPG-PXAZEXFGSA-N 1 2 343.427 3.152 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccnc3ccccc32)[C@H]1C ZINC001088716830 1360019784 /nfs/dbraw/zinc/01/97/84/1360019784.db2.gz AMCXIBVIQXZJJO-CJNGLKHVSA-N 1 2 329.831 3.180 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccnc3ccccc32)[C@H]1C ZINC001088716830 1360019787 /nfs/dbraw/zinc/01/97/87/1360019787.db2.gz AMCXIBVIQXZJJO-CJNGLKHVSA-N 1 2 329.831 3.180 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3cccc(OC)c3o2)[C@H]1C ZINC001088826377 1360066379 /nfs/dbraw/zinc/06/63/79/1360066379.db2.gz JOCKQPAQUKQGDI-OCCSQVGLSA-N 1 2 348.830 3.387 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3cccc(OC)c3o2)[C@H]1C ZINC001088826377 1360066380 /nfs/dbraw/zinc/06/63/80/1360066380.db2.gz JOCKQPAQUKQGDI-OCCSQVGLSA-N 1 2 348.830 3.387 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3ccc(Cl)nc3)[C@@H]2C)C1 ZINC001088840113 1360074255 /nfs/dbraw/zinc/07/42/55/1360074255.db2.gz WBBGGOQUSOCYNH-HIFRSBDPSA-N 1 2 333.863 3.170 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(Cl)nc3)[C@@H]2C)C1 ZINC001088840113 1360074257 /nfs/dbraw/zinc/07/42/57/1360074257.db2.gz WBBGGOQUSOCYNH-HIFRSBDPSA-N 1 2 333.863 3.170 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)sc3C)[C@@H]2C)C1 ZINC001088840541 1360075533 /nfs/dbraw/zinc/07/55/33/1360075533.db2.gz MUTDZPVBKNYXKT-DOMZBBRYSA-N 1 2 333.501 3.195 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)sc3C)[C@@H]2C)C1 ZINC001088840541 1360075536 /nfs/dbraw/zinc/07/55/36/1360075536.db2.gz MUTDZPVBKNYXKT-DOMZBBRYSA-N 1 2 333.501 3.195 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H](C)[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001089183710 1360233546 /nfs/dbraw/zinc/23/35/46/1360233546.db2.gz GRQKEJMWOIGXKG-FUHWJXTLSA-N 1 2 342.487 3.265 20 30 EGEDLO CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC#Cc1ccccc1Cl ZINC001089598233 1360522625 /nfs/dbraw/zinc/52/26/25/1360522625.db2.gz AGAJKTIICNGSCX-QGZVFWFLSA-N 1 2 332.875 3.318 20 30 EGEDLO CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC#Cc1ccccc1Cl ZINC001089598233 1360522630 /nfs/dbraw/zinc/52/26/30/1360522630.db2.gz AGAJKTIICNGSCX-QGZVFWFLSA-N 1 2 332.875 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cccnc1C ZINC001089688340 1360593977 /nfs/dbraw/zinc/59/39/77/1360593977.db2.gz SQOKBWRHFBLJQP-OAHLLOKOSA-N 1 2 335.879 3.363 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cccnc1C ZINC001089688340 1360593980 /nfs/dbraw/zinc/59/39/80/1360593980.db2.gz SQOKBWRHFBLJQP-OAHLLOKOSA-N 1 2 335.879 3.363 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cccn1CC ZINC001089732049 1360636483 /nfs/dbraw/zinc/63/64/83/1360636483.db2.gz KOWZHPWUPJHLPS-HNNXBMFYSA-N 1 2 337.895 3.481 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cccn1CC ZINC001089732049 1360636486 /nfs/dbraw/zinc/63/64/86/1360636486.db2.gz KOWZHPWUPJHLPS-HNNXBMFYSA-N 1 2 337.895 3.481 20 30 EGEDLO Cc1cc(N[C@@H]2CCCC[C@H]2NC(=O)C#CC(C)C)nc(C(C)C)[nH+]1 ZINC001091258154 1361024137 /nfs/dbraw/zinc/02/41/37/1361024137.db2.gz PHUXNLWLEHVSQW-IAGOWNOFSA-N 1 2 342.487 3.407 20 30 EGEDLO Cc1nc(NCC[C@H]2[C@H](C)CCCN2C(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001091657904 1361172588 /nfs/dbraw/zinc/17/25/88/1361172588.db2.gz HXWVNMCGTISYKX-WBVHZDCISA-N 1 2 342.487 3.264 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H](C)C[C@H]1CNc1cc[nH+]c(C)n1 ZINC001091689904 1361180587 /nfs/dbraw/zinc/18/05/87/1361180587.db2.gz MKOTXJNWHKWCCK-ZBFHGGJFSA-N 1 2 330.476 3.426 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H](C)C[C@H]1CNc1cc[nH+]c(C)n1 ZINC001091691140 1361180981 /nfs/dbraw/zinc/18/09/81/1361180981.db2.gz UHMWLPLCTVYAEH-AEFFLSMTSA-N 1 2 342.487 3.408 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@H+](C/C(Cl)=C\Cl)C[C@@]3(C)C2)C1 ZINC001091996485 1361269988 /nfs/dbraw/zinc/26/99/88/1361269988.db2.gz XQUPTKQDORQBLQ-MRCPVDBPSA-N 1 2 343.298 3.442 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@@H+](C/C(Cl)=C\Cl)C[C@@]3(C)C2)C1 ZINC001091996485 1361269991 /nfs/dbraw/zinc/26/99/91/1361269991.db2.gz XQUPTKQDORQBLQ-MRCPVDBPSA-N 1 2 343.298 3.442 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001093051313 1361516744 /nfs/dbraw/zinc/51/67/44/1361516744.db2.gz ZVYIYGLKULXRDQ-ZACQAIPSSA-N 1 2 342.487 3.176 20 30 EGEDLO C=CC(C)(C)CC(=O)NC1CC2(C1)CC(Nc1cc[nH+]c(C)n1)C2 ZINC001093439903 1361624105 /nfs/dbraw/zinc/62/41/05/1361624105.db2.gz QHSBUHCYDFPCIA-UHFFFAOYSA-N 1 2 328.460 3.227 20 30 EGEDLO C#CCCCCC(=O)NCCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001093556278 1361641701 /nfs/dbraw/zinc/64/17/01/1361641701.db2.gz HQPXNHIABHEPRF-UHFFFAOYSA-N 1 2 330.476 3.445 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3CC[C@H](CC)CC3)CC2)C1 ZINC001093593523 1361651489 /nfs/dbraw/zinc/65/14/89/1361651489.db2.gz IPLMVHMOXIVDOP-QAQDUYKDSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[C@H]3CCCC[C@@H]3C)CC2)C1 ZINC001093600153 1361654272 /nfs/dbraw/zinc/65/42/72/1361654272.db2.gz OQWYDWSZUGPFBO-ZWKOTPCHSA-N 1 2 348.531 3.471 20 30 EGEDLO C=C[C@H](C(=O)NCCNc1cc(C)[nH+]c(C2CC2)n1)c1ccccc1 ZINC001093664595 1361670560 /nfs/dbraw/zinc/67/05/60/1361670560.db2.gz LKIBCJAGZQTLMR-KRWDZBQOSA-N 1 2 336.439 3.160 20 30 EGEDLO C=C(C)[C@H](CC(=O)NCCCNc1cc(C)[nH+]c(C(C)C)n1)OCC ZINC001094621241 1361880321 /nfs/dbraw/zinc/88/03/21/1361880321.db2.gz VVOSLHHGSRIQAZ-INIZCTEOSA-N 1 2 348.491 3.198 20 30 EGEDLO C=C(C)[C@@H](CC(=O)NCCCNc1cc(C)[nH+]c(C(C)C)n1)OCC ZINC001094621242 1361880378 /nfs/dbraw/zinc/88/03/78/1361880378.db2.gz VVOSLHHGSRIQAZ-MRXNPFEDSA-N 1 2 348.491 3.198 20 30 EGEDLO C#CCCCCCC(=O)NCCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001094725756 1361900983 /nfs/dbraw/zinc/90/09/83/1361900983.db2.gz FLJFKPROGIUMAL-UHFFFAOYSA-N 1 2 342.487 3.166 20 30 EGEDLO C=CCCC1(C(=O)NCCCNc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001094756310 1361906764 /nfs/dbraw/zinc/90/67/64/1361906764.db2.gz UCMCLFTXRUTWOG-UHFFFAOYSA-N 1 2 328.460 3.327 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CCCC2)C3)c(F)c1 ZINC001095089677 1362009994 /nfs/dbraw/zinc/00/99/94/1362009994.db2.gz FXYQZUZLMXJYIL-NEWSRXKRSA-N 1 2 341.430 3.109 20 30 EGEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CCCC2)C3)c(F)c1 ZINC001095089677 1362009998 /nfs/dbraw/zinc/00/99/98/1362009998.db2.gz FXYQZUZLMXJYIL-NEWSRXKRSA-N 1 2 341.430 3.109 20 30 EGEDLO Cc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001095126603 1362023463 /nfs/dbraw/zinc/02/34/63/1362023463.db2.gz GLNZWCLDUZEMGN-GIVPXCGWSA-N 1 2 345.446 3.402 20 30 EGEDLO Cc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001095126603 1362023468 /nfs/dbraw/zinc/02/34/68/1362023468.db2.gz GLNZWCLDUZEMGN-GIVPXCGWSA-N 1 2 345.446 3.402 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095194136 1362048813 /nfs/dbraw/zinc/04/88/13/1362048813.db2.gz VNWACIJZJQYVEH-UHFFFAOYSA-N 1 2 342.487 3.209 20 30 EGEDLO C=C(C)CCC(=O)N1CCCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095194590 1362049178 /nfs/dbraw/zinc/04/91/78/1362049178.db2.gz DFPHRAZVCNASAL-UHFFFAOYSA-N 1 2 328.460 3.057 20 30 EGEDLO C#CCC1(C(=O)N2CCC[C@@H](Nc3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001095299796 1362089351 /nfs/dbraw/zinc/08/93/51/1362089351.db2.gz SQEHPMULGQSOLF-QGZVFWFLSA-N 1 2 340.471 3.162 20 30 EGEDLO C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)C[C@H]2C[C@H]2C1 ZINC001095809987 1362240258 /nfs/dbraw/zinc/24/02/58/1362240258.db2.gz GWBFIADZSDWEHH-HVSHRVNHSA-N 1 2 349.478 3.216 20 30 EGEDLO C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)C[C@H]2C[C@H]2C1 ZINC001095809987 1362240260 /nfs/dbraw/zinc/24/02/60/1362240260.db2.gz GWBFIADZSDWEHH-HVSHRVNHSA-N 1 2 349.478 3.216 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001096235243 1362446777 /nfs/dbraw/zinc/44/67/77/1362446777.db2.gz ARNLIIARPRZWLF-MRXNPFEDSA-N 1 2 330.476 3.089 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096471692 1362524880 /nfs/dbraw/zinc/52/48/80/1362524880.db2.gz NUEWVXJXPHMAFZ-GOEBONIOSA-N 1 2 330.476 3.206 20 30 EGEDLO C=C[C@H](C(=O)NC[C@@H](Nc1cc[nH+]c(C)n1)C1CC1)c1ccccc1 ZINC001096673811 1362626134 /nfs/dbraw/zinc/62/61/34/1362626134.db2.gz IPHGGIHQSFDYBM-ZWKOTPCHSA-N 1 2 336.439 3.062 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1)C2 ZINC001096744372 1362683071 /nfs/dbraw/zinc/68/30/71/1362683071.db2.gz VIYHKYCHJIHFKW-AQNXPRMDSA-N 1 2 331.419 3.094 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1)C2 ZINC001096744372 1362683074 /nfs/dbraw/zinc/68/30/74/1362683074.db2.gz VIYHKYCHJIHFKW-AQNXPRMDSA-N 1 2 331.419 3.094 20 30 EGEDLO Cc1occc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001096783060 1362706565 /nfs/dbraw/zinc/70/65/65/1362706565.db2.gz PPFBHGMJGYYPFH-JLZZUVOBSA-N 1 2 341.436 3.057 20 30 EGEDLO Cc1occc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001096783060 1362706568 /nfs/dbraw/zinc/70/65/68/1362706568.db2.gz PPFBHGMJGYYPFH-JLZZUVOBSA-N 1 2 341.436 3.057 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097221333 1362891091 /nfs/dbraw/zinc/89/10/91/1362891091.db2.gz GPIQYAKPQHGZJL-CALCHBBNSA-N 1 2 340.471 3.490 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H](CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001097364279 1362952798 /nfs/dbraw/zinc/95/27/98/1362952798.db2.gz UVSURRACYSYLBS-MRXNPFEDSA-N 1 2 342.487 3.281 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001097448096 1362994981 /nfs/dbraw/zinc/99/49/81/1362994981.db2.gz BADFOCISBDRONF-INIZCTEOSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CCCCN1c1nc(C)[nH+]c(C)c1C ZINC001097449816 1362996208 /nfs/dbraw/zinc/99/62/08/1362996208.db2.gz KGHIOAJXTBHNGO-MRXNPFEDSA-N 1 2 330.476 3.089 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCCCN1c1nc(C)[nH+]c(C)c1C ZINC001097452462 1362998597 /nfs/dbraw/zinc/99/85/97/1362998597.db2.gz VQKIDJACUMQLLF-KSSFIOAISA-N 1 2 344.503 3.479 20 30 EGEDLO C=CCCC(=O)N1CCCC[C@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001097474257 1363010355 /nfs/dbraw/zinc/01/03/55/1363010355.db2.gz IFHWOJIRWKDRBK-INIZCTEOSA-N 1 2 328.460 3.422 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3c1ccn3C)C2 ZINC001098048382 1363207093 /nfs/dbraw/zinc/20/70/93/1363207093.db2.gz MVEOJESMFDCPMW-QBIMZIAESA-N 1 2 343.858 3.266 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3c1ccn3C)C2 ZINC001098048382 1363207098 /nfs/dbraw/zinc/20/70/98/1363207098.db2.gz MVEOJESMFDCPMW-QBIMZIAESA-N 1 2 343.858 3.266 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C1CC1)C1CC1)C2 ZINC001098184086 1363247186 /nfs/dbraw/zinc/24/71/86/1363247186.db2.gz NJNNRNKVOFDUCU-AQNXPRMDSA-N 1 2 349.478 3.216 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C1CC1)C1CC1)C2 ZINC001098184086 1363247191 /nfs/dbraw/zinc/24/71/91/1363247191.db2.gz NJNNRNKVOFDUCU-AQNXPRMDSA-N 1 2 349.478 3.216 20 30 EGEDLO Cc1cc(N[C@H]2CCC[C@@H](NC(=O)C#CC(C)C)C2)nc(C(C)C)[nH+]1 ZINC001098621632 1363403243 /nfs/dbraw/zinc/40/32/43/1363403243.db2.gz UIQCZTGSWLOEGH-DLBZAZTESA-N 1 2 342.487 3.407 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001098720315 1363449283 /nfs/dbraw/zinc/44/92/83/1363449283.db2.gz YUDUYNSROHPHFB-KSSFIOAISA-N 1 2 344.503 3.431 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)SC ZINC001099023344 1363580428 /nfs/dbraw/zinc/58/04/28/1363580428.db2.gz MWVPPRGSUWQTAA-ZIAGYGMSSA-N 1 2 332.941 3.487 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)SC ZINC001099023344 1363580431 /nfs/dbraw/zinc/58/04/31/1363580431.db2.gz MWVPPRGSUWQTAA-ZIAGYGMSSA-N 1 2 332.941 3.487 20 30 EGEDLO Cc1cc(N[C@H](C)CCNC(=O)C#CC(C)(C)C)nc(C2CC2)[nH+]1 ZINC001099087922 1363616742 /nfs/dbraw/zinc/61/67/42/1363616742.db2.gz ZFQJTPDZROMUTI-CYBMUJFWSA-N 1 2 328.460 3.019 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nccs1 ZINC001099166520 1363666749 /nfs/dbraw/zinc/66/67/49/1363666749.db2.gz WRLJSYUDERIWMB-CQSZACIVSA-N 1 2 335.517 3.462 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nccs1 ZINC001099166520 1363666753 /nfs/dbraw/zinc/66/67/53/1363666753.db2.gz WRLJSYUDERIWMB-CQSZACIVSA-N 1 2 335.517 3.462 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(F)s2)C1 ZINC001099181397 1363676662 /nfs/dbraw/zinc/67/66/62/1363676662.db2.gz CTEVQRVIFYGEBB-NHYWBVRUSA-N 1 2 328.840 3.224 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(F)s2)C1 ZINC001099181397 1363676665 /nfs/dbraw/zinc/67/66/65/1363676665.db2.gz CTEVQRVIFYGEBB-NHYWBVRUSA-N 1 2 328.840 3.224 20 30 EGEDLO C=C(Br)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCF ZINC001099183540 1363679584 /nfs/dbraw/zinc/67/95/84/1363679584.db2.gz VPLCBHCSMQCSIW-CYBMUJFWSA-N 1 2 349.288 3.252 20 30 EGEDLO C=C(Br)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCF ZINC001099183540 1363679588 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C=C(C)CCC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2nc(CCCC)no2)C1 ZINC001190436510 1367265101 /nfs/dbraw/zinc/26/51/01/1367265101.db2.gz VTRMAAUAIDQBQN-HZPDHXFCSA-N 1 2 348.491 3.362 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2nc(CCCC)no2)C1 ZINC001190436510 1367265104 /nfs/dbraw/zinc/26/51/04/1367265104.db2.gz VTRMAAUAIDQBQN-HZPDHXFCSA-N 1 2 348.491 3.362 20 30 EGEDLO CC(C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CC1 ZINC001109700329 1367286473 /nfs/dbraw/zinc/28/64/73/1367286473.db2.gz IGKGVUWLFFNPPZ-QYZOEREBSA-N 1 2 337.467 3.216 20 30 EGEDLO CC(C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CC1 ZINC001109700329 1367286477 /nfs/dbraw/zinc/28/64/77/1367286477.db2.gz IGKGVUWLFFNPPZ-QYZOEREBSA-N 1 2 337.467 3.216 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109783746 1367321780 /nfs/dbraw/zinc/32/17/80/1367321780.db2.gz CBUKVPOJULULFI-OLQIXAPSSA-N 1 2 343.446 3.211 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109783746 1367321784 /nfs/dbraw/zinc/32/17/84/1367321784.db2.gz CBUKVPOJULULFI-OLQIXAPSSA-N 1 2 343.446 3.211 20 30 EGEDLO C#CCCCCC(=O)N[C@@H](CNc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001109813314 1367338407 /nfs/dbraw/zinc/33/84/07/1367338407.db2.gz IBHGYNBGENOWSM-KRWDZBQOSA-N 1 2 340.471 3.163 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@@H](CC)C1 ZINC001110035332 1367473673 /nfs/dbraw/zinc/47/36/73/1367473673.db2.gz FEYUPMDJQRYQFT-JKSUJKDBSA-N 1 2 330.476 3.426 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001108547143 1367486847 /nfs/dbraw/zinc/48/68/47/1367486847.db2.gz VGWUXUKYDDXJNQ-AWEZNQCLSA-N 1 2 328.460 3.347 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Oc1ccc(C)cc1)C2 ZINC001110071379 1367492440 /nfs/dbraw/zinc/49/24/40/1367492440.db2.gz XHFZQCONPUKPSC-MVJTYMMSSA-N 1 2 348.874 3.236 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Oc1ccc(C)cc1)C2 ZINC001110071379 1367492443 /nfs/dbraw/zinc/49/24/43/1367492443.db2.gz XHFZQCONPUKPSC-MVJTYMMSSA-N 1 2 348.874 3.236 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1cc(C)cc(C)c1)C2 ZINC001110094512 1367500874 /nfs/dbraw/zinc/50/08/74/1367500874.db2.gz GRYFCQYGLKCMAQ-NJAFHUGGSA-N 1 2 348.874 3.156 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1cc(C)cc(C)c1)C2 ZINC001110094512 1367500877 /nfs/dbraw/zinc/50/08/77/1367500877.db2.gz GRYFCQYGLKCMAQ-NJAFHUGGSA-N 1 2 348.874 3.156 20 30 EGEDLO CC(C)=C(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001191762785 1367579891 /nfs/dbraw/zinc/57/98/91/1367579891.db2.gz FXYKLPAMWGKAFS-IBGZPJMESA-N 1 2 343.446 3.476 20 30 EGEDLO CC(C)=C(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001191762785 1367579895 /nfs/dbraw/zinc/57/98/95/1367579895.db2.gz FXYKLPAMWGKAFS-IBGZPJMESA-N 1 2 343.446 3.476 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2noc3c2CCCC3)C1 ZINC001191867666 1367620805 /nfs/dbraw/zinc/62/08/05/1367620805.db2.gz GNOBTGJXPQQFSK-HZPDHXFCSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2noc3c2CCCC3)C1 ZINC001191867666 1367620811 /nfs/dbraw/zinc/62/08/11/1367620811.db2.gz GNOBTGJXPQQFSK-HZPDHXFCSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccncc2Cl)C1 ZINC001191913591 1367638604 /nfs/dbraw/zinc/63/86/04/1367638604.db2.gz ZFOPQCONCZMQPJ-ZBFHGGJFSA-N 1 2 335.879 3.370 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccncc2Cl)C1 ZINC001191913591 1367638608 /nfs/dbraw/zinc/63/86/08/1367638608.db2.gz ZFOPQCONCZMQPJ-ZBFHGGJFSA-N 1 2 335.879 3.370 20 30 EGEDLO C#CCCCC(=O)N[C@H](C)CN(C)c1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001108922118 1367664091 /nfs/dbraw/zinc/66/40/91/1367664091.db2.gz ZKZJHTPYIXBWKI-MRXNPFEDSA-N 1 2 344.503 3.468 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001110415608 1367705438 /nfs/dbraw/zinc/70/54/38/1367705438.db2.gz RHUKFPSQSMVTGL-ZWKOTPCHSA-N 1 2 342.487 3.349 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cc(C)[nH+]c(CC)n1 ZINC001110449653 1367734788 /nfs/dbraw/zinc/73/47/88/1367734788.db2.gz WHMYLZOSTRAHQO-CALCHBBNSA-N 1 2 342.487 3.273 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC2(C1)CCN(c1cc[nH+]c(C)n1)CC2 ZINC001110463382 1367752767 /nfs/dbraw/zinc/75/27/67/1367752767.db2.gz FWMQVEZXZQRYRI-QGZVFWFLSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2nc(C(C)C)no2)C1 ZINC001192576961 1367822749 /nfs/dbraw/zinc/82/27/49/1367822749.db2.gz BTQJNXBMXFIQBL-GJZGRUSLSA-N 1 2 348.491 3.389 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2nc(C(C)C)no2)C1 ZINC001192576961 1367822755 /nfs/dbraw/zinc/82/27/55/1367822755.db2.gz BTQJNXBMXFIQBL-GJZGRUSLSA-N 1 2 348.491 3.389 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H](CNc1cc[nH+]c(C)n1)C1CCCC1 ZINC001110676025 1367917997 /nfs/dbraw/zinc/91/79/97/1367917997.db2.gz NOQZMEQCHOQLPJ-WMLDXEAASA-N 1 2 330.476 3.474 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)CC(C)C)C1 ZINC001193087913 1367941149 /nfs/dbraw/zinc/94/11/49/1367941149.db2.gz MQZDVTGFMWUTIT-JSGCOSHPSA-N 1 2 331.298 3.110 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)CC(C)C)C1 ZINC001193087913 1367941153 /nfs/dbraw/zinc/94/11/53/1367941153.db2.gz MQZDVTGFMWUTIT-JSGCOSHPSA-N 1 2 331.298 3.110 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)CCC2(C)CC2)C1 ZINC001193257127 1367981457 /nfs/dbraw/zinc/98/14/57/1367981457.db2.gz HHWSKTSJTQDZOH-SFHVURJKSA-N 1 2 343.446 3.310 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)CCC2(C)CC2)C1 ZINC001193257127 1367981462 /nfs/dbraw/zinc/98/14/62/1367981462.db2.gz HHWSKTSJTQDZOH-SFHVURJKSA-N 1 2 343.446 3.310 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001110888585 1368061050 /nfs/dbraw/zinc/06/10/50/1368061050.db2.gz KPVDFYZRDMAMIE-ZACQAIPSSA-N 1 2 331.435 3.045 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001110888585 1368061053 /nfs/dbraw/zinc/06/10/53/1368061053.db2.gz KPVDFYZRDMAMIE-ZACQAIPSSA-N 1 2 331.435 3.045 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC=C(Cl)Cl ZINC001110926763 1368098289 /nfs/dbraw/zinc/09/82/89/1368098289.db2.gz SNWSACGTNMXBGZ-MCIONIFRSA-N 1 2 329.271 3.221 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(Cl)Cl ZINC001110926763 1368098295 /nfs/dbraw/zinc/09/82/95/1368098295.db2.gz SNWSACGTNMXBGZ-MCIONIFRSA-N 1 2 329.271 3.221 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccncc1)C(C)C)C2 ZINC001110946493 1368113402 /nfs/dbraw/zinc/11/34/02/1368113402.db2.gz OAISODJFPQMZPE-ZJPYXAASSA-N 1 2 347.890 3.295 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccncc1)C(C)C)C2 ZINC001110946493 1368113408 /nfs/dbraw/zinc/11/34/08/1368113408.db2.gz OAISODJFPQMZPE-ZJPYXAASSA-N 1 2 347.890 3.295 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CCC)c1ccccn1)C2 ZINC001110947338 1368114382 /nfs/dbraw/zinc/11/43/82/1368114382.db2.gz JHQAFAPOQDENTI-ATLSCFEFSA-N 1 2 347.890 3.439 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CCC)c1ccccn1)C2 ZINC001110947338 1368114389 /nfs/dbraw/zinc/11/43/89/1368114389.db2.gz JHQAFAPOQDENTI-ATLSCFEFSA-N 1 2 347.890 3.439 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C2CC2)no1 ZINC001110984635 1368133741 /nfs/dbraw/zinc/13/37/41/1368133741.db2.gz KHBAAUURJAJHTB-QKUWSGOFSA-N 1 2 343.471 3.376 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C2CC2)no1 ZINC001110984635 1368133745 /nfs/dbraw/zinc/13/37/45/1368133745.db2.gz KHBAAUURJAJHTB-QKUWSGOFSA-N 1 2 343.471 3.376 20 30 EGEDLO C#CCCCC(=O)N1C[C@@H](C)[C@@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001111246530 1368215594 /nfs/dbraw/zinc/21/55/94/1368215594.db2.gz BPPAESRTVQFGOL-WBVHZDCISA-N 1 2 342.487 3.218 20 30 EGEDLO C=CCOC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001194311686 1368229439 /nfs/dbraw/zinc/22/94/39/1368229439.db2.gz VRCBRCOTRWYMMO-UHFFFAOYSA-N 1 2 344.333 3.025 20 30 EGEDLO Cn1c[nH+]cc1-c1cccc(C(=O)Nc2n[nH]c3cccc(C#N)c32)c1 ZINC001194888437 1368341853 /nfs/dbraw/zinc/34/18/53/1368341853.db2.gz WEGDOWQWKSEVBB-UHFFFAOYSA-N 1 2 342.362 3.087 20 30 EGEDLO CC/C=C(\C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001195079612 1368372691 /nfs/dbraw/zinc/37/26/91/1368372691.db2.gz QMIBNMHJKGPRGQ-PJQLUOCWSA-N 1 2 329.419 3.088 20 30 EGEDLO CC/C=C(\C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001195079612 1368372696 /nfs/dbraw/zinc/37/26/96/1368372696.db2.gz QMIBNMHJKGPRGQ-PJQLUOCWSA-N 1 2 329.419 3.088 20 30 EGEDLO CC(C)[C@H](C)CC(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001195201001 1368400223 /nfs/dbraw/zinc/40/02/23/1368400223.db2.gz RFDNWIGGRZSMEK-MRXNPFEDSA-N 1 2 345.462 3.414 20 30 EGEDLO CC(C)[C@H](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001195201001 1368400226 /nfs/dbraw/zinc/40/02/26/1368400226.db2.gz RFDNWIGGRZSMEK-MRXNPFEDSA-N 1 2 345.462 3.414 20 30 EGEDLO CC/C(C)=C/C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001195762260 1368484132 /nfs/dbraw/zinc/48/41/32/1368484132.db2.gz ZNZXFSRKRKPNKC-RVDMUPIBSA-N 1 2 329.419 3.088 20 30 EGEDLO CC/C(C)=C/C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001195762260 1368484135 /nfs/dbraw/zinc/48/41/35/1368484135.db2.gz ZNZXFSRKRKPNKC-RVDMUPIBSA-N 1 2 329.419 3.088 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[N@H+](Cc2ccc(Cl)nc2)CC1 ZINC001195990060 1368529783 /nfs/dbraw/zinc/52/97/83/1368529783.db2.gz KODJURLLIKQKBD-UHFFFAOYSA-N 1 2 335.879 3.372 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[N@@H+](Cc2ccc(Cl)nc2)CC1 ZINC001195990060 1368529785 /nfs/dbraw/zinc/52/97/85/1368529785.db2.gz KODJURLLIKQKBD-UHFFFAOYSA-N 1 2 335.879 3.372 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C3CC3)c(Br)c2)CC1 ZINC001196439652 1368615496 /nfs/dbraw/zinc/61/54/96/1368615496.db2.gz IGIYMDJIIVFFCL-UHFFFAOYSA-N 1 2 349.272 3.270 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001196854876 1368700404 /nfs/dbraw/zinc/70/04/04/1368700404.db2.gz UNSDKBHISRYJKD-HZPDHXFCSA-N 1 2 343.446 3.190 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001196854876 1368700405 /nfs/dbraw/zinc/70/04/05/1368700405.db2.gz UNSDKBHISRYJKD-HZPDHXFCSA-N 1 2 343.446 3.190 20 30 EGEDLO C#CCC1(C(=O)N2C[C@@H](C)[C@@H](Nc3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001112319570 1368763286 /nfs/dbraw/zinc/76/32/86/1368763286.db2.gz CMSDTUASZBQUFI-WBVHZDCISA-N 1 2 340.471 3.018 20 30 EGEDLO CC(C)CCCC(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001197236246 1368769341 /nfs/dbraw/zinc/76/93/41/1368769341.db2.gz FDAYATRGWPZSJT-UHFFFAOYSA-N 1 2 327.472 3.419 20 30 EGEDLO CC(C)CCCC(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001197236246 1368769343 /nfs/dbraw/zinc/76/93/43/1368769343.db2.gz FDAYATRGWPZSJT-UHFFFAOYSA-N 1 2 327.472 3.419 20 30 EGEDLO CC(C)(C)CCC(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001197519622 1368830590 /nfs/dbraw/zinc/83/05/90/1368830590.db2.gz QLQXTTLHTOKYJW-UHFFFAOYSA-N 1 2 327.472 3.419 20 30 EGEDLO CC(C)(C)CCC(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001197519622 1368830596 /nfs/dbraw/zinc/83/05/96/1368830596.db2.gz QLQXTTLHTOKYJW-UHFFFAOYSA-N 1 2 327.472 3.419 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C[C@@H]1C ZINC001112428232 1368842586 /nfs/dbraw/zinc/84/25/86/1368842586.db2.gz DDGUYKCAAGILSQ-SUMWQHHRSA-N 1 2 344.503 3.335 20 30 EGEDLO CC[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001197586239 1368845350 /nfs/dbraw/zinc/84/53/50/1368845350.db2.gz DGHLCHNKMBLJJY-JKSUJKDBSA-N 1 2 345.462 3.414 20 30 EGEDLO CC[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001197586239 1368845356 /nfs/dbraw/zinc/84/53/56/1368845356.db2.gz DGHLCHNKMBLJJY-JKSUJKDBSA-N 1 2 345.462 3.414 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)[C@@H](C)C1 ZINC001112477040 1368875965 /nfs/dbraw/zinc/87/59/65/1368875965.db2.gz QQEPWMHOZBQVMV-HOTGVXAUSA-N 1 2 330.476 3.348 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@H]([C@H]2CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001112811484 1369023046 /nfs/dbraw/zinc/02/30/46/1369023046.db2.gz OSQKWHGFKJFIBQ-ROUUACIJSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@H]([C@@H]2CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001112811485 1369023374 /nfs/dbraw/zinc/02/33/74/1369023374.db2.gz OSQKWHGFKJFIBQ-ZWKOTPCHSA-N 1 2 342.487 3.206 20 30 EGEDLO CC(C)(C)C#CC(=O)N1CC[NH+](CCCc2ccccc2Cl)CC1 ZINC001112837137 1369037246 /nfs/dbraw/zinc/03/72/46/1369037246.db2.gz UAKXLLPVUSACNK-UHFFFAOYSA-N 1 2 346.902 3.466 20 30 EGEDLO C#CCC1(C(=O)NC2CC(CNc3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001112842444 1369040308 /nfs/dbraw/zinc/04/03/08/1369040308.db2.gz NPHATJZWDDXUIL-UHFFFAOYSA-N 1 2 340.471 3.066 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC001112894731 1369076076 /nfs/dbraw/zinc/07/60/76/1369076076.db2.gz MYFDVHXNJNFTMI-UHFFFAOYSA-N 1 2 336.426 3.254 20 30 EGEDLO C#CCC1(C(=O)N2CC[NH+]([C@@H](C)c3ccc(F)cc3)CC2)CCC1 ZINC001112951010 1369105707 /nfs/dbraw/zinc/10/57/07/1369105707.db2.gz JJTHKXQZIPGAHJ-INIZCTEOSA-N 1 2 328.431 3.225 20 30 EGEDLO C#CCC1(C(=O)N2CC[NH+]([C@H]3CCc4c3cccc4F)CC2)CCC1 ZINC001112951152 1369105922 /nfs/dbraw/zinc/10/59/22/1369105922.db2.gz KEMWYKVOADUCSF-IBGZPJMESA-N 1 2 340.442 3.151 20 30 EGEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccccc2C(C)(C)CC)CC1 ZINC001112996338 1369128397 /nfs/dbraw/zinc/12/83/97/1369128397.db2.gz QAKDTEVARKVAEZ-UHFFFAOYSA-N 1 2 344.499 3.335 20 30 EGEDLO C=CCC1(C(=O)NC[C@H]([NH2+]CCF)c2ccccc2OC)CCC1 ZINC001198885465 1369139315 /nfs/dbraw/zinc/13/93/15/1369139315.db2.gz IRLAPSNMFRWQKD-INIZCTEOSA-N 1 2 334.435 3.158 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC[NH+](CCOc2cccc(CC)c2)CC1 ZINC001113229605 1369277210 /nfs/dbraw/zinc/27/72/10/1369277210.db2.gz MWDUCQUCHYAYSK-ROUUACIJSA-N 1 2 344.499 3.230 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[NH+](Cc2cccc(COC)c2)CC1 ZINC001113247091 1369289808 /nfs/dbraw/zinc/28/98/08/1369289808.db2.gz ZKKKJXSYQKLXSQ-QGZVFWFLSA-N 1 2 330.472 3.080 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC001113269341 1369305594 /nfs/dbraw/zinc/30/55/94/1369305594.db2.gz OGMPESVSZLSQIH-CABCVRRESA-N 1 2 348.450 3.263 20 30 EGEDLO C=CCCCC(=O)N1CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC001113283306 1369316672 /nfs/dbraw/zinc/31/66/72/1369316672.db2.gz FOSCHQQSOKGUPB-UHFFFAOYSA-N 1 2 336.863 3.219 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[NH+](CCOc2cccc(C)c2)CC1 ZINC001113390718 1369392022 /nfs/dbraw/zinc/39/20/22/1369392022.db2.gz PYKCLFOGTFXGIX-UHFFFAOYSA-N 1 2 330.472 3.120 20 30 EGEDLO C=CCOCC(=O)N(C)CC(C)(C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001113408403 1369406466 /nfs/dbraw/zinc/40/64/66/1369406466.db2.gz PFKKKXYDXLZJTF-UHFFFAOYSA-N 1 2 348.491 3.008 20 30 EGEDLO CCCCCCCC[C@H](C)C(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001113662842 1369550970 /nfs/dbraw/zinc/55/09/70/1369550970.db2.gz LEEIKPKEAAHPNW-SFHVURJKSA-N 1 2 348.535 3.451 20 30 EGEDLO C=CCCC1(C(=O)NC[C@H](C)N(C)c2nc(C)[nH+]c(C)c2C)CC1 ZINC001113851371 1369633711 /nfs/dbraw/zinc/63/37/11/1369633711.db2.gz LGYPZYCFVTYMRM-ZDUSSCGKSA-N 1 2 330.476 3.089 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CN(c2nc(C)[nH+]c(C)c2C)CC[C@H]1C ZINC001114046440 1369700933 /nfs/dbraw/zinc/70/09/33/1369700933.db2.gz PFDZVIHQCBAODM-DYVFJYSZSA-N 1 2 344.503 3.335 20 30 EGEDLO C=CCOCCCC(=O)N(C)CC[C@@H](Nc1cc[nH+]c(C)n1)C(C)C ZINC001114082835 1369723913 /nfs/dbraw/zinc/72/39/13/1369723913.db2.gz OESORFHIPSHJNW-QGZVFWFLSA-N 1 2 348.491 3.053 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1C[C@@]2(C)CN(c3cc[nH+]c(C)n3)C[C@@]2(C)C1 ZINC001114729036 1370050843 /nfs/dbraw/zinc/05/08/43/1370050843.db2.gz RWFXIWHPUNDHLT-RYGJVYDSSA-N 1 2 342.487 3.062 20 30 EGEDLO C#CCC1(C(=O)N[C@H]2C[C@H](CNc3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001114775356 1370073726 /nfs/dbraw/zinc/07/37/26/1370073726.db2.gz NPHATJZWDDXUIL-QAQDUYKDSA-N 1 2 340.471 3.066 20 30 EGEDLO C=CCCC1(C(=O)NC2[C@H]3C[N@@H+](C/C(Cl)=C\Cl)C[C@@H]23)CC1 ZINC001114794836 1370085087 /nfs/dbraw/zinc/08/50/87/1370085087.db2.gz QRTOJSWQRJXMLF-KZKWKOHOSA-N 1 2 329.271 3.098 20 30 EGEDLO C=CCCC1(C(=O)NC2[C@H]3C[N@H+](C/C(Cl)=C\Cl)C[C@@H]23)CC1 ZINC001114794836 1370085091 /nfs/dbraw/zinc/08/50/91/1370085091.db2.gz QRTOJSWQRJXMLF-KZKWKOHOSA-N 1 2 329.271 3.098 20 30 EGEDLO CC#CCCCC(=O)N1CCC(N(C)c2nc(C)[nH+]c(C)c2C)CC1 ZINC001115153425 1370315580 /nfs/dbraw/zinc/31/55/80/1370315580.db2.gz GUNSPQPRTOMHCA-UHFFFAOYSA-N 1 2 342.487 3.023 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC(N(C)c2nc(C)[nH+]c(C)c2C)CC1 ZINC001115153429 1370315771 /nfs/dbraw/zinc/31/57/71/1370315771.db2.gz GVOMLKOLRAQNFC-ZIAGYGMSSA-N 1 2 344.503 3.287 20 30 EGEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1cccc2ccccc21 ZINC001203984476 1370339805 /nfs/dbraw/zinc/33/98/05/1370339805.db2.gz YIIWSYKSGQUSAP-HXUWFJFHSA-N 1 2 348.450 3.270 20 30 EGEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1cccc2ccccc21 ZINC001203984476 1370339810 /nfs/dbraw/zinc/33/98/10/1370339810.db2.gz YIIWSYKSGQUSAP-HXUWFJFHSA-N 1 2 348.450 3.270 20 30 EGEDLO N#Cc1ccc(Nc2cccc(OCC[NH+]3CCOCC3)c2)cc1F ZINC001204062594 1370365160 /nfs/dbraw/zinc/36/51/60/1370365160.db2.gz WOJDWTNKZCZKLJ-UHFFFAOYSA-N 1 2 341.386 3.152 20 30 EGEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3c(F)cccc3F)C2)CC1 ZINC001204202952 1370407174 /nfs/dbraw/zinc/40/71/74/1370407174.db2.gz NPAZBUVNAKXSTF-UHFFFAOYSA-N 1 2 336.382 3.185 20 30 EGEDLO C=CCn1cccc1C(=O)NCC[C@@H](Nc1cc[nH+]c(C)n1)C(C)C ZINC001115369847 1370413053 /nfs/dbraw/zinc/41/30/53/1370413053.db2.gz NIDUVAOPHCEKNU-MRXNPFEDSA-N 1 2 341.459 3.029 20 30 EGEDLO C[C@@H]1CC[N@H+](Cc2ccccc2C#N)CCN1C(=O)OC(C)(C)C ZINC001204368738 1370456048 /nfs/dbraw/zinc/45/60/48/1370456048.db2.gz VZBBLBCGFHBDIS-OAHLLOKOSA-N 1 2 329.444 3.390 20 30 EGEDLO C[C@@H]1CC[N@@H+](Cc2ccccc2C#N)CCN1C(=O)OC(C)(C)C ZINC001204368738 1370456051 /nfs/dbraw/zinc/45/60/51/1370456051.db2.gz VZBBLBCGFHBDIS-OAHLLOKOSA-N 1 2 329.444 3.390 20 30 EGEDLO C=C(Cl)C[NH2+]C1(CNC(=O)C(F)C(F)(F)F)CCCCC1 ZINC001115546264 1370543448 /nfs/dbraw/zinc/54/34/48/1370543448.db2.gz IODDPJHJCOAKOV-SNVBAGLBSA-N 1 2 330.753 3.048 20 30 EGEDLO C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H](F)C(F)(F)F)CCCCC1 ZINC001115546264 1370543449 /nfs/dbraw/zinc/54/34/49/1370543449.db2.gz IODDPJHJCOAKOV-SNVBAGLBSA-N 1 2 330.753 3.048 20 30 EGEDLO C#CCCCCC(=O)N(C)C[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001115682379 1370665104 /nfs/dbraw/zinc/66/51/04/1370665104.db2.gz MVRXRGJJNMRZDF-HNNXBMFYSA-N 1 2 342.487 3.116 20 30 EGEDLO C=CCC(C)(C)C(=O)NCC1([NH2+]Cc2noc(CC)n2)CCCCC1 ZINC001115750604 1370731277 /nfs/dbraw/zinc/73/12/77/1370731277.db2.gz XZKQOHZWXQHTBO-UHFFFAOYSA-N 1 2 348.491 3.143 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nc(C)no2)C1 ZINC001187340772 1388097280 /nfs/dbraw/zinc/09/72/80/1388097280.db2.gz FYYAQEWRPUZUMG-GOEBONIOSA-N 1 2 336.480 3.380 20 30 EGEDLO N[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(OC(F)(F)F)c(F)c2)C1 ZINC001206238269 1371000846 /nfs/dbraw/zinc/00/08/46/1371000846.db2.gz RQNPBLMKUPIRBK-LLVKDONJSA-N 1 2 346.246 3.190 20 30 EGEDLO N[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(OC(F)(F)F)c(F)c2)C1 ZINC001206238269 1371000851 /nfs/dbraw/zinc/00/08/51/1371000851.db2.gz RQNPBLMKUPIRBK-LLVKDONJSA-N 1 2 346.246 3.190 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206537055 1371086024 /nfs/dbraw/zinc/08/60/24/1371086024.db2.gz IPJAXDCZMXDMHS-CRAIPNDOSA-N 1 2 330.859 3.094 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206537055 1371086027 /nfs/dbraw/zinc/08/60/27/1371086027.db2.gz IPJAXDCZMXDMHS-CRAIPNDOSA-N 1 2 330.859 3.094 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2csc(-c3ccoc3)n2)C[C@H]1C ZINC001206544760 1371088776 /nfs/dbraw/zinc/08/87/76/1371088776.db2.gz LTODPZLZVJCVMM-CZUORRHYSA-N 1 2 345.468 3.306 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2csc(-c3ccoc3)n2)C[C@H]1C ZINC001206544760 1371088779 /nfs/dbraw/zinc/08/87/79/1371088779.db2.gz LTODPZLZVJCVMM-CZUORRHYSA-N 1 2 345.468 3.306 20 30 EGEDLO Cc1csc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1C#N ZINC001118369534 1371167579 /nfs/dbraw/zinc/16/75/79/1371167579.db2.gz IGXKTODPMYHTRS-CYBMUJFWSA-N 1 2 343.456 3.148 20 30 EGEDLO C=CCN(CC[N@@H+]1CCC(=O)[C@@H]2CCCC[C@H]21)C(=O)OC(C)(C)C ZINC001207199683 1371328036 /nfs/dbraw/zinc/32/80/36/1371328036.db2.gz PYGAAXONXRLJLR-HZPDHXFCSA-N 1 2 336.476 3.243 20 30 EGEDLO C=CCN(CC[N@H+]1CCC(=O)[C@@H]2CCCC[C@H]21)C(=O)OC(C)(C)C ZINC001207199683 1371328045 /nfs/dbraw/zinc/32/80/45/1371328045.db2.gz PYGAAXONXRLJLR-HZPDHXFCSA-N 1 2 336.476 3.243 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC001208261890 1371688576 /nfs/dbraw/zinc/68/85/76/1371688576.db2.gz UITJPBZXFGYQSY-HUUCEWRRSA-N 1 2 348.491 3.365 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C(CC)CC)n2)C[C@H]1C ZINC001208309185 1371710262 /nfs/dbraw/zinc/71/02/62/1371710262.db2.gz CXNKDORLNGNDRG-CRAIPNDOSA-N 1 2 346.519 3.393 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C(CC)CC)n2)C[C@H]1C ZINC001208309185 1371710269 /nfs/dbraw/zinc/71/02/69/1371710269.db2.gz CXNKDORLNGNDRG-CRAIPNDOSA-N 1 2 346.519 3.393 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ncoc2C(C)C)C[C@H]1C ZINC001208392736 1371750690 /nfs/dbraw/zinc/75/06/90/1371750690.db2.gz CLVXZMPWVXBKIW-BZUAXINKSA-N 1 2 333.476 3.337 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ncoc2C(C)C)C[C@H]1C ZINC001208392736 1371750694 /nfs/dbraw/zinc/75/06/94/1371750694.db2.gz CLVXZMPWVXBKIW-BZUAXINKSA-N 1 2 333.476 3.337 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccnc(Cl)c3)C[C@H]2C)CCC1 ZINC001208498195 1371788607 /nfs/dbraw/zinc/78/86/07/1371788607.db2.gz ONDBJGOZBSVVBX-GDBMZVCRSA-N 1 2 347.890 3.418 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccnc(Cl)c3)C[C@H]2C)CCC1 ZINC001208498195 1371788609 /nfs/dbraw/zinc/78/86/09/1371788609.db2.gz ONDBJGOZBSVVBX-GDBMZVCRSA-N 1 2 347.890 3.418 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ncc(C)s3)C[C@H]2C)CC1 ZINC001208500009 1371788616 /nfs/dbraw/zinc/78/86/16/1371788616.db2.gz GMRIMWNXHBUXNN-UKRRQHHQSA-N 1 2 333.501 3.134 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3ncc(C)s3)C[C@H]2C)CC1 ZINC001208500009 1371788618 /nfs/dbraw/zinc/78/86/18/1371788618.db2.gz GMRIMWNXHBUXNN-UKRRQHHQSA-N 1 2 333.501 3.134 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208508621 1371792233 /nfs/dbraw/zinc/79/22/33/1371792233.db2.gz BNEOIWKAJKUWQM-DJKXOVBDSA-N 1 2 343.446 3.236 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208508621 1371792238 /nfs/dbraw/zinc/79/22/38/1371792238.db2.gz BNEOIWKAJKUWQM-DJKXOVBDSA-N 1 2 343.446 3.236 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001208512055 1371794270 /nfs/dbraw/zinc/79/42/70/1371794270.db2.gz UEEUKBTYFPCFEC-SUMDDJOVSA-N 1 2 332.492 3.003 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001208512055 1371794276 /nfs/dbraw/zinc/79/42/76/1371794276.db2.gz UEEUKBTYFPCFEC-SUMDDJOVSA-N 1 2 332.492 3.003 20 30 EGEDLO CCC1(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]2C)CC1 ZINC001208520449 1371798160 /nfs/dbraw/zinc/79/81/60/1371798160.db2.gz IEPCUDYTUSSTRB-CRAIPNDOSA-N 1 2 344.886 3.318 20 30 EGEDLO CCC1(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]2C)CC1 ZINC001208520449 1371798162 /nfs/dbraw/zinc/79/81/62/1371798162.db2.gz IEPCUDYTUSSTRB-CRAIPNDOSA-N 1 2 344.886 3.318 20 30 EGEDLO N#Cc1cccc(CCCN2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c1 ZINC001208859941 1371922108 /nfs/dbraw/zinc/92/21/08/1371922108.db2.gz DTQIQQKUIOXMDO-SFHVURJKSA-N 1 2 333.426 3.296 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC(F)(F)C[C@@H]1C ZINC001121613365 1372025407 /nfs/dbraw/zinc/02/54/07/1372025407.db2.gz XKJKJXXSJDSERB-UONOGXRCSA-N 1 2 339.434 3.245 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC(F)(F)C[C@@H]1C ZINC001121613365 1372025412 /nfs/dbraw/zinc/02/54/12/1372025412.db2.gz XKJKJXXSJDSERB-UONOGXRCSA-N 1 2 339.434 3.245 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@H]([NH2+]Cc2nc(CCCC)no2)C1 ZINC001209194981 1372034277 /nfs/dbraw/zinc/03/42/77/1372034277.db2.gz SOEPBUHIAUPHAB-HOTGVXAUSA-N 1 2 348.491 3.095 20 30 EGEDLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc(C#N)cc1OC ZINC001209328188 1372070723 /nfs/dbraw/zinc/07/07/23/1372070723.db2.gz GJUKVPGTZSEQFX-UHFFFAOYSA-N 1 2 349.394 3.462 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@H]([NH2+]Cc2nc(CCC(C)C)no2)C1 ZINC001209346426 1372073627 /nfs/dbraw/zinc/07/36/27/1372073627.db2.gz UCYFOAMEYIPIBZ-INIZCTEOSA-N 1 2 348.491 3.095 20 30 EGEDLO C=CCN(CCc1ccco1)c1nnc([C@H]2CCCC[N@@H+]2C)n1CC ZINC001121797155 1372083913 /nfs/dbraw/zinc/08/39/13/1372083913.db2.gz KDAVKTKKTOSDTO-QGZVFWFLSA-N 1 2 343.475 3.283 20 30 EGEDLO C=CCN(CCc1ccco1)c1nnc([C@H]2CCCC[N@H+]2C)n1CC ZINC001121797155 1372083921 /nfs/dbraw/zinc/08/39/21/1372083921.db2.gz KDAVKTKKTOSDTO-QGZVFWFLSA-N 1 2 343.475 3.283 20 30 EGEDLO CC[C@@H](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001209679972 1372168416 /nfs/dbraw/zinc/16/84/16/1372168416.db2.gz JKSZKNRBCJJEKG-SPYBWZPUSA-N 1 2 345.462 3.460 20 30 EGEDLO CC[C@@H](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001209679972 1372168424 /nfs/dbraw/zinc/16/84/24/1372168424.db2.gz JKSZKNRBCJJEKG-SPYBWZPUSA-N 1 2 345.462 3.460 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@H]([NH2+][C@H](C)c2nc(C3CC3)no2)C1 ZINC001209876143 1372220864 /nfs/dbraw/zinc/22/08/64/1372220864.db2.gz XAWQQBZBFRTGIL-HIFRSBDPSA-N 1 2 346.475 3.191 20 30 EGEDLO CCCCN(CCCC)c1ccc(CN2CC[NH2+]C[C@@H]2C#N)c(O)c1 ZINC001210120854 1372275757 /nfs/dbraw/zinc/27/57/57/1372275757.db2.gz HWYUQENSJNLQHX-IBGZPJMESA-N 1 2 344.503 3.096 20 30 EGEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N(C)Cc1ccoc1 ZINC001122625354 1372286177 /nfs/dbraw/zinc/28/61/77/1372286177.db2.gz GJVBXOQDGKLXER-UHFFFAOYSA-N 1 2 329.448 3.070 20 30 EGEDLO Cc1cc(Nc2cc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c(C)n2)ccc1C#N ZINC001210805516 1372430137 /nfs/dbraw/zinc/43/01/37/1372430137.db2.gz CKVOEJKEWVAGRM-ZIAGYGMSSA-N 1 2 337.427 3.322 20 30 EGEDLO Cc1cc(Nc2cc(N3C[C@@H](C)O[C@H](C)C3)nc(C)[nH+]2)ccc1C#N ZINC001210805516 1372430139 /nfs/dbraw/zinc/43/01/39/1372430139.db2.gz CKVOEJKEWVAGRM-ZIAGYGMSSA-N 1 2 337.427 3.322 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001123626032 1372529226 /nfs/dbraw/zinc/52/92/26/1372529226.db2.gz ASAFGLQCENFZGV-WBVHZDCISA-N 1 2 344.503 3.478 20 30 EGEDLO Fc1c(CN2CC[NH2+]CC(F)(F)C2)ccc(C(F)(F)F)c1F ZINC001211347993 1372538072 /nfs/dbraw/zinc/53/80/72/1372538072.db2.gz VIUJHQZIYUKKOZ-UHFFFAOYSA-N 1 2 330.247 3.024 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001123655552 1372544128 /nfs/dbraw/zinc/54/41/28/1372544128.db2.gz YFDWUIHRLCPAOE-NVXWUHKLSA-N 1 2 344.503 3.478 20 30 EGEDLO C=CC[C@H]1CCCN(c2nnc([C@H]3CCC[N@H+]3C)n2CC2CC2)C1 ZINC001123728921 1372570800 /nfs/dbraw/zinc/57/08/00/1372570800.db2.gz HICJGMDLOMRVKF-DOTOQJQBSA-N 1 2 329.492 3.247 20 30 EGEDLO C=CC[C@H]1CCCN(c2nnc([C@H]3CCC[N@@H+]3C)n2CC2CC2)C1 ZINC001123728921 1372570802 /nfs/dbraw/zinc/57/08/02/1372570802.db2.gz HICJGMDLOMRVKF-DOTOQJQBSA-N 1 2 329.492 3.247 20 30 EGEDLO Cc1cc(NC[C@H]2CC[C@H](NC(=O)C#CC(C)C)C2)nc(C2CC2)[nH+]1 ZINC001123784897 1372588020 /nfs/dbraw/zinc/58/80/20/1372588020.db2.gz NTVGQFGQOFHGJV-RDJZCZTQSA-N 1 2 340.471 3.019 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C)s3)C[C@H]21 ZINC001188033600 1388222304 /nfs/dbraw/zinc/22/23/04/1388222304.db2.gz JXFXSOFTFZILAX-DLBZAZTESA-N 1 2 345.512 3.253 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C)s3)C[C@H]21 ZINC001188033600 1388222308 /nfs/dbraw/zinc/22/23/08/1388222308.db2.gz JXFXSOFTFZILAX-DLBZAZTESA-N 1 2 345.512 3.253 20 30 EGEDLO Cc1cc(NC[C@H](NC(=O)C#CC(C)C)C(C)(C)C)nc(C2CC2)[nH+]1 ZINC001125889247 1372883124 /nfs/dbraw/zinc/88/31/24/1372883124.db2.gz JRJHFUFEOJQWRW-INIZCTEOSA-N 1 2 342.487 3.265 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001126756339 1373014571 /nfs/dbraw/zinc/01/45/71/1373014571.db2.gz GWOQVSRSNNEORX-AWEZNQCLSA-N 1 2 330.476 3.108 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H](C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001126762467 1373016502 /nfs/dbraw/zinc/01/65/02/1373016502.db2.gz FKJFSKOEELMVQD-GJZGRUSLSA-N 1 2 330.476 3.108 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NC1(C2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC001127141589 1373096837 /nfs/dbraw/zinc/09/68/37/1373096837.db2.gz XINSZRTXGKACPN-LSDHHAIUSA-N 1 2 342.487 3.108 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)CCC=C)c2C1 ZINC001128259699 1373243588 /nfs/dbraw/zinc/24/35/88/1373243588.db2.gz OYSXREFFUQBFBF-UHFFFAOYSA-N 1 2 330.476 3.028 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)CCC=C)c2C1 ZINC001128259699 1373243591 /nfs/dbraw/zinc/24/35/91/1373243591.db2.gz OYSXREFFUQBFBF-UHFFFAOYSA-N 1 2 330.476 3.028 20 30 EGEDLO C/C=C(\C)C(=O)NCc1cnn2c1C[N@H+](CCCCCCC)CC2 ZINC001128321312 1373251409 /nfs/dbraw/zinc/25/14/09/1373251409.db2.gz IBSAUBAZPSLVDV-FZSIALSZSA-N 1 2 332.492 3.252 20 30 EGEDLO C/C=C(\C)C(=O)NCc1cnn2c1C[N@@H+](CCCCCCC)CC2 ZINC001128321312 1373251411 /nfs/dbraw/zinc/25/14/11/1373251411.db2.gz IBSAUBAZPSLVDV-FZSIALSZSA-N 1 2 332.492 3.252 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)/C=C(/C)CC)c2C1 ZINC001128336979 1373253738 /nfs/dbraw/zinc/25/37/38/1373253738.db2.gz DKTJIMYJKYRKID-LGMDPLHJSA-N 1 2 344.503 3.418 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)/C=C(/C)CC)c2C1 ZINC001128336979 1373253741 /nfs/dbraw/zinc/25/37/41/1373253741.db2.gz DKTJIMYJKYRKID-LGMDPLHJSA-N 1 2 344.503 3.418 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)CCC(=C)C)c2C1 ZINC001128372245 1373258700 /nfs/dbraw/zinc/25/87/00/1373258700.db2.gz MJAYEAJCHRCYPY-UHFFFAOYSA-N 1 2 344.503 3.418 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)CCC(=C)C)c2C1 ZINC001128372245 1373258705 /nfs/dbraw/zinc/25/87/05/1373258705.db2.gz MJAYEAJCHRCYPY-UHFFFAOYSA-N 1 2 344.503 3.418 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)CCCC=C)c2C1 ZINC001128463656 1373272495 /nfs/dbraw/zinc/27/24/95/1373272495.db2.gz PNBBFOKTBBUIHB-UHFFFAOYSA-N 1 2 344.503 3.418 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)CCCC=C)c2C1 ZINC001128463656 1373272499 /nfs/dbraw/zinc/27/24/99/1373272499.db2.gz PNBBFOKTBBUIHB-UHFFFAOYSA-N 1 2 344.503 3.418 20 30 EGEDLO Cc1c(C#N)cccc1Nc1ccc(N2CC[NH+](C3COC3)CC2)cc1 ZINC001216177128 1373274913 /nfs/dbraw/zinc/27/49/13/1373274913.db2.gz ZRTVDTNJWUPYJX-UHFFFAOYSA-N 1 2 348.450 3.131 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCc1cnn2c1C[N@H+](CCCCCC)CC2 ZINC001128481088 1373275091 /nfs/dbraw/zinc/27/50/91/1373275091.db2.gz JWLHRYVZJUSUJL-HXUWFJFHSA-N 1 2 346.519 3.498 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCc1cnn2c1C[N@@H+](CCCCCC)CC2 ZINC001128481088 1373275094 /nfs/dbraw/zinc/27/50/94/1373275094.db2.gz JWLHRYVZJUSUJL-HXUWFJFHSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)c2C1 ZINC001128517282 1373281809 /nfs/dbraw/zinc/28/18/09/1373281809.db2.gz FFVGXAHKCQQVSK-JKSUJKDBSA-N 1 2 346.519 3.209 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)c2C1 ZINC001128517282 1373281811 /nfs/dbraw/zinc/28/18/11/1373281811.db2.gz FFVGXAHKCQQVSK-JKSUJKDBSA-N 1 2 346.519 3.209 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H](C)CCCCCC)c2C1 ZINC001128521301 1373282264 /nfs/dbraw/zinc/28/22/64/1373282264.db2.gz NUGGKOCBEAQLBY-KRWDZBQOSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H](C)CCCCCC)c2C1 ZINC001128521301 1373282266 /nfs/dbraw/zinc/28/22/66/1373282266.db2.gz NUGGKOCBEAQLBY-KRWDZBQOSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@](C)(CC)CCC)c2C1 ZINC001128529733 1373284086 /nfs/dbraw/zinc/28/40/86/1373284086.db2.gz GUVPJTICNQBCQJ-IBGZPJMESA-N 1 2 332.492 3.107 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@](C)(CC)CCC)c2C1 ZINC001128529733 1373284088 /nfs/dbraw/zinc/28/40/88/1373284088.db2.gz GUVPJTICNQBCQJ-IBGZPJMESA-N 1 2 332.492 3.107 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CCCCC)C[C@H](C)O2 ZINC001131634113 1373739449 /nfs/dbraw/zinc/73/94/49/1373739449.db2.gz UPGHVHJBFUVWEP-DOTOQJQBSA-N 1 2 328.884 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCCCC)C[C@H](C)O2 ZINC001131634113 1373739454 /nfs/dbraw/zinc/73/94/54/1373739454.db2.gz UPGHVHJBFUVWEP-DOTOQJQBSA-N 1 2 328.884 3.011 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@@H](C)O[C@]2(CC[N@H+](CC(=C)Cl)C2)C1 ZINC001131660973 1373749124 /nfs/dbraw/zinc/74/91/24/1373749124.db2.gz IDJQUGKGUDCECG-QAPCUYQASA-N 1 2 340.895 3.033 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@@H](C)O[C@]2(CC[N@@H+](CC(=C)Cl)C2)C1 ZINC001131660973 1373749129 /nfs/dbraw/zinc/74/91/29/1373749129.db2.gz IDJQUGKGUDCECG-QAPCUYQASA-N 1 2 340.895 3.033 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CC(CC)CC)C[C@H](C)O2 ZINC001131693109 1373766491 /nfs/dbraw/zinc/76/64/91/1373766491.db2.gz MQWZWNBHUBTPJY-MAUKXSAKSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC(CC)CC)C[C@H](C)O2 ZINC001131693109 1373766495 /nfs/dbraw/zinc/76/64/95/1373766495.db2.gz MQWZWNBHUBTPJY-MAUKXSAKSA-N 1 2 342.911 3.257 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)cs2)C1 ZINC001131971334 1375076720 /nfs/dbraw/zinc/07/67/20/1375076720.db2.gz GQGLLLVRFDXQFQ-CVEARBPZSA-N 1 2 333.501 3.114 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2nc(C)cs2)C1 ZINC001131971334 1375076727 /nfs/dbraw/zinc/07/67/27/1375076727.db2.gz GQGLLLVRFDXQFQ-CVEARBPZSA-N 1 2 333.501 3.114 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ncc(C)s2)C1 ZINC001131971419 1375077452 /nfs/dbraw/zinc/07/74/52/1375077452.db2.gz HUCOBHHHGQOTJD-GOEBONIOSA-N 1 2 333.501 3.114 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ncc(C)s2)C1 ZINC001131971419 1375077459 /nfs/dbraw/zinc/07/74/59/1375077459.db2.gz HUCOBHHHGQOTJD-GOEBONIOSA-N 1 2 333.501 3.114 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ncoc2C(C)C)C1 ZINC001131973176 1375078801 /nfs/dbraw/zinc/07/88/01/1375078801.db2.gz YTNRWSXJGSJDAL-SJORKVTESA-N 1 2 345.487 3.461 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001131973176 1375078808 /nfs/dbraw/zinc/07/88/08/1375078808.db2.gz YTNRWSXJGSJDAL-SJORKVTESA-N 1 2 345.487 3.461 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001132002619 1375093585 /nfs/dbraw/zinc/09/35/85/1375093585.db2.gz LLXDTUMTLCIWFC-HOCLYGCPSA-N 1 2 333.863 3.008 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001132002619 1375093589 /nfs/dbraw/zinc/09/35/89/1375093589.db2.gz LLXDTUMTLCIWFC-HOCLYGCPSA-N 1 2 333.863 3.008 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(F)cc2F)C1 ZINC001132003906 1375094917 /nfs/dbraw/zinc/09/49/17/1375094917.db2.gz ZZDBNQVVPVIMRS-YOEHRIQHSA-N 1 2 334.410 3.237 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccc(F)cc2F)C1 ZINC001132003906 1375094922 /nfs/dbraw/zinc/09/49/22/1375094922.db2.gz ZZDBNQVVPVIMRS-YOEHRIQHSA-N 1 2 334.410 3.237 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)/C=C(\C)CC)CC[C@@H]1C ZINC001132013015 1375096934 /nfs/dbraw/zinc/09/69/34/1375096934.db2.gz GBDFHGHCQANDLK-PMGKTQQESA-N 1 2 329.282 3.220 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)/C=C(\C)CC)CC[C@@H]1C ZINC001132013015 1375096936 /nfs/dbraw/zinc/09/69/36/1375096936.db2.gz GBDFHGHCQANDLK-PMGKTQQESA-N 1 2 329.282 3.220 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1cc(F)cc(F)c1 ZINC001132033496 1375108649 /nfs/dbraw/zinc/10/86/49/1375108649.db2.gz GZLDWPDREGDVQR-KSSFIOAISA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1cc(F)cc(F)c1 ZINC001132033496 1375108651 /nfs/dbraw/zinc/10/86/51/1375108651.db2.gz GZLDWPDREGDVQR-KSSFIOAISA-N 1 2 348.437 3.483 20 30 EGEDLO C=CCCOCCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=C)Cl)C1 ZINC001132037851 1375111052 /nfs/dbraw/zinc/11/10/52/1375111052.db2.gz IZWUFRGFBWOJCK-DLBZAZTESA-N 1 2 342.911 3.471 20 30 EGEDLO C=CCCOCCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=C)Cl)C1 ZINC001132037851 1375111056 /nfs/dbraw/zinc/11/10/56/1375111056.db2.gz IZWUFRGFBWOJCK-DLBZAZTESA-N 1 2 342.911 3.471 20 30 EGEDLO COc1cccc(F)c1O[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001225445710 1375112139 /nfs/dbraw/zinc/11/21/39/1375112139.db2.gz NQUXMUCRAOXVHW-INIZCTEOSA-N 1 2 326.371 3.359 20 30 EGEDLO COc1cccc(F)c1O[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001225445710 1375112144 /nfs/dbraw/zinc/11/21/44/1375112144.db2.gz NQUXMUCRAOXVHW-INIZCTEOSA-N 1 2 326.371 3.359 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCc2cncc(C)c2)CC[C@@H]1C ZINC001132170523 1375185783 /nfs/dbraw/zinc/18/57/83/1375185783.db2.gz ZTMVCOCMIBXOTP-DOTOQJQBSA-N 1 2 335.879 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCc2cncc(C)c2)CC[C@@H]1C ZINC001132170523 1375185784 /nfs/dbraw/zinc/18/57/84/1375185784.db2.gz ZTMVCOCMIBXOTP-DOTOQJQBSA-N 1 2 335.879 3.044 20 30 EGEDLO CC(=O)c1ccc(O)c(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001225995495 1375186466 /nfs/dbraw/zinc/18/64/66/1375186466.db2.gz RXXWPXZZEJSVRI-GOSISDBHSA-N 1 2 336.391 3.120 20 30 EGEDLO CC(=O)c1ccc(O)c(O[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001225995495 1375186469 /nfs/dbraw/zinc/18/64/69/1375186469.db2.gz RXXWPXZZEJSVRI-GOSISDBHSA-N 1 2 336.391 3.120 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2csc(CC)n2)C1 ZINC001132223058 1375220555 /nfs/dbraw/zinc/22/05/55/1375220555.db2.gz AZNIOUSOFLSGQO-JKSUJKDBSA-N 1 2 347.528 3.368 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2csc(CC)n2)C1 ZINC001132223058 1375220558 /nfs/dbraw/zinc/22/05/58/1375220558.db2.gz AZNIOUSOFLSGQO-JKSUJKDBSA-N 1 2 347.528 3.368 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ncc(C)s2)C1 ZINC001132235901 1375231779 /nfs/dbraw/zinc/23/17/79/1375231779.db2.gz VECBZDLRPPWERB-GOEBONIOSA-N 1 2 333.501 3.114 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ncc(C)s2)C1 ZINC001132235901 1375231783 /nfs/dbraw/zinc/23/17/83/1375231783.db2.gz VECBZDLRPPWERB-GOEBONIOSA-N 1 2 333.501 3.114 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ncc(C)s2)C1 ZINC001132235902 1375232046 /nfs/dbraw/zinc/23/20/46/1375232046.db2.gz VECBZDLRPPWERB-HOCLYGCPSA-N 1 2 333.501 3.114 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ncc(C)s2)C1 ZINC001132235902 1375232050 /nfs/dbraw/zinc/23/20/50/1375232050.db2.gz VECBZDLRPPWERB-HOCLYGCPSA-N 1 2 333.501 3.114 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc3n(n2)CCCC3)C1 ZINC001132255659 1375249229 /nfs/dbraw/zinc/24/92/29/1375249229.db2.gz CTUZZCJHQZVCGI-SJORKVTESA-N 1 2 344.503 3.045 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc3n(n2)CCCC3)C1 ZINC001132255659 1375249231 /nfs/dbraw/zinc/24/92/31/1375249231.db2.gz CTUZZCJHQZVCGI-SJORKVTESA-N 1 2 344.503 3.045 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3ncc(C)o3)C2)CCC1 ZINC001132278908 1375262403 /nfs/dbraw/zinc/26/24/03/1375262403.db2.gz SMOHHSDBZJVGBE-HOCLYGCPSA-N 1 2 331.460 3.199 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3ncc(C)o3)C2)CCC1 ZINC001132278908 1375262408 /nfs/dbraw/zinc/26/24/08/1375262408.db2.gz SMOHHSDBZJVGBE-HOCLYGCPSA-N 1 2 331.460 3.199 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3ccn(CC)n3)C2)CC1 ZINC001132279609 1375263105 /nfs/dbraw/zinc/26/31/05/1375263105.db2.gz ZYBYJWXCFZSISV-IRXDYDNUSA-N 1 2 344.503 3.119 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3ccn(CC)n3)C2)CC1 ZINC001132279609 1375263107 /nfs/dbraw/zinc/26/31/07/1375263107.db2.gz ZYBYJWXCFZSISV-IRXDYDNUSA-N 1 2 344.503 3.119 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(C(C)C)n1 ZINC001226523085 1375275351 /nfs/dbraw/zinc/27/53/51/1375275351.db2.gz PHVDPPNIDGWWIR-HUUCEWRRSA-N 1 2 334.464 3.066 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001132327782 1375306838 /nfs/dbraw/zinc/30/68/38/1375306838.db2.gz VMIQUSIXMJNUMJ-CZUORRHYSA-N 1 2 333.476 3.363 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001132327782 1375306843 /nfs/dbraw/zinc/30/68/43/1375306843.db2.gz VMIQUSIXMJNUMJ-CZUORRHYSA-N 1 2 333.476 3.363 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)CCC2(C)CC2)CC[C@H]1C ZINC001132397812 1375352837 /nfs/dbraw/zinc/35/28/37/1375352837.db2.gz WVCIVYRXTIWREC-ZIAGYGMSSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)CCC2(C)CC2)CC[C@H]1C ZINC001132397812 1375352840 /nfs/dbraw/zinc/35/28/40/1375352840.db2.gz WVCIVYRXTIWREC-ZIAGYGMSSA-N 1 2 343.309 3.444 20 30 EGEDLO C#CCCCCC(=O)NC1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC001226951590 1375367671 /nfs/dbraw/zinc/36/76/71/1375367671.db2.gz FMZBSCGQNHRFJY-UHFFFAOYSA-N 1 2 345.512 3.295 20 30 EGEDLO C#CCCCC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC001227084861 1375386812 /nfs/dbraw/zinc/38/68/12/1375386812.db2.gz MSUYWVVTUNSCMC-UHFFFAOYSA-N 1 2 336.838 3.363 20 30 EGEDLO C#CCC1(C(=O)NC2CC[NH+](Cc3c(F)cccc3F)CC2)CCC1 ZINC001227754827 1375471973 /nfs/dbraw/zinc/47/19/73/1375471973.db2.gz SEQNDLAJLNTWHF-UHFFFAOYSA-N 1 2 346.421 3.239 20 30 EGEDLO N#Cc1c(Cl)cccc1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001227787385 1375474246 /nfs/dbraw/zinc/47/42/46/1375474246.db2.gz BPCKOYLCKVBEDS-MRXNPFEDSA-N 1 2 342.826 3.491 20 30 EGEDLO N#Cc1c(Cl)cccc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001227787385 1375474249 /nfs/dbraw/zinc/47/42/49/1375474249.db2.gz BPCKOYLCKVBEDS-MRXNPFEDSA-N 1 2 342.826 3.491 20 30 EGEDLO C#CCCCCCC(=O)NC1CC[NH+](Cc2ccn(C(C)C)n2)CC1 ZINC001228636909 1375623271 /nfs/dbraw/zinc/62/32/71/1375623271.db2.gz FEAAKWXWJVFVAF-UHFFFAOYSA-N 1 2 344.503 3.128 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001228747877 1375660592 /nfs/dbraw/zinc/66/05/92/1375660592.db2.gz HBCLNJCIJCAULC-HUUCEWRRSA-N 1 2 343.446 3.236 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC001228749294 1375661599 /nfs/dbraw/zinc/66/15/99/1375661599.db2.gz RKMZJFBWKIZGHS-VXGBXAGGSA-N 1 2 341.908 3.335 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001228809813 1375683333 /nfs/dbraw/zinc/68/33/33/1375683333.db2.gz LWIJCWSDYFTQAU-OAHLLOKOSA-N 1 2 343.446 3.380 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC1CC[NH+]([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC001229015902 1375739150 /nfs/dbraw/zinc/73/91/50/1375739150.db2.gz CVKIHJBJDFNYAQ-LIRRHRJNSA-N 1 2 348.491 3.437 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2ccc3c(c2)C(=O)CCO3)C1 ZINC001229117065 1375767031 /nfs/dbraw/zinc/76/70/31/1375767031.db2.gz KNHWNGJBDSZWKS-GOSISDBHSA-N 1 2 348.402 3.177 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccc3c(c2)C(=O)CCO3)C1 ZINC001229117065 1375767039 /nfs/dbraw/zinc/76/70/39/1375767039.db2.gz KNHWNGJBDSZWKS-GOSISDBHSA-N 1 2 348.402 3.177 20 30 EGEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccc(Cl)c3Br)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229127233 1375770037 /nfs/dbraw/zinc/77/00/37/1375770037.db2.gz QCHOXSKESGUUPM-LEGMNPEXSA-N 1 2 344.636 3.094 20 30 EGEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc(Cl)c3Br)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229127233 1375770053 /nfs/dbraw/zinc/77/00/53/1375770053.db2.gz QCHOXSKESGUUPM-LEGMNPEXSA-N 1 2 344.636 3.094 20 30 EGEDLO C=C(Cl)C[N@@H+](CCCNC(=O)C1CC(C)C1)Cc1cccnc1 ZINC001230731756 1376137150 /nfs/dbraw/zinc/13/71/50/1376137150.db2.gz LNUNKPFYYHQFOV-UHFFFAOYSA-N 1 2 335.879 3.189 20 30 EGEDLO C=C(Cl)C[N@H+](CCCNC(=O)C1CC(C)C1)Cc1cccnc1 ZINC001230731756 1376137151 /nfs/dbraw/zinc/13/71/51/1376137151.db2.gz LNUNKPFYYHQFOV-UHFFFAOYSA-N 1 2 335.879 3.189 20 30 EGEDLO C=C(Cl)C[N@@H+](CCCNC(=O)c1[nH]ccc1C)Cc1cccnc1 ZINC001230747418 1376137732 /nfs/dbraw/zinc/13/77/32/1376137732.db2.gz CDVLLAVMKGGNRL-UHFFFAOYSA-N 1 2 346.862 3.093 20 30 EGEDLO C=C(Cl)C[N@H+](CCCNC(=O)c1[nH]ccc1C)Cc1cccnc1 ZINC001230747418 1376137739 /nfs/dbraw/zinc/13/77/39/1376137739.db2.gz CDVLLAVMKGGNRL-UHFFFAOYSA-N 1 2 346.862 3.093 20 30 EGEDLO C=C(Cl)C[N@@H+](CCCNC(=O)CCC(F)F)Cc1cccnc1 ZINC001230800888 1376152515 /nfs/dbraw/zinc/15/25/15/1376152515.db2.gz STSBVPVSUDEIIH-UHFFFAOYSA-N 1 2 345.821 3.188 20 30 EGEDLO C=C(Cl)C[N@H+](CCCNC(=O)CCC(F)F)Cc1cccnc1 ZINC001230800888 1376152520 /nfs/dbraw/zinc/15/25/20/1376152520.db2.gz STSBVPVSUDEIIH-UHFFFAOYSA-N 1 2 345.821 3.188 20 30 EGEDLO C=C(Cl)C[N@@H+](CCCNC(=O)[C@]1(C)C=CCC1)Cc1cccnc1 ZINC001230818243 1376158294 /nfs/dbraw/zinc/15/82/94/1376158294.db2.gz DTTKVHGBMALLDR-LJQANCHMSA-N 1 2 347.890 3.499 20 30 EGEDLO C=C(Cl)C[N@H+](CCCNC(=O)[C@]1(C)C=CCC1)Cc1cccnc1 ZINC001230818243 1376158296 /nfs/dbraw/zinc/15/82/96/1376158296.db2.gz DTTKVHGBMALLDR-LJQANCHMSA-N 1 2 347.890 3.499 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3nc(C(C)C)no3)C[C@H]21 ZINC001188985237 1388428188 /nfs/dbraw/zinc/42/81/88/1388428188.db2.gz BHCQZLLCFMOLOC-OWCLPIDISA-N 1 2 346.475 3.143 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)c3nc(C(C)C)no3)C[C@H]21 ZINC001188985237 1388428189 /nfs/dbraw/zinc/42/81/89/1388428189.db2.gz BHCQZLLCFMOLOC-OWCLPIDISA-N 1 2 346.475 3.143 20 30 EGEDLO CC(C)Oc1ccc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)cn1 ZINC001231537064 1376257650 /nfs/dbraw/zinc/25/76/50/1376257650.db2.gz GKZXVOZGPMDZEH-UHFFFAOYSA-N 1 2 336.439 3.063 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2cc(C#N)ccc2O)C(C)(C)C1 ZINC001232680034 1376500033 /nfs/dbraw/zinc/50/00/33/1376500033.db2.gz WZJKTMGCUKFUMQ-UHFFFAOYSA-N 1 2 345.443 3.095 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2cc(C#N)ccc2O)C(C)(C)C1 ZINC001232680034 1376500035 /nfs/dbraw/zinc/50/00/35/1376500035.db2.gz WZJKTMGCUKFUMQ-UHFFFAOYSA-N 1 2 345.443 3.095 20 30 EGEDLO COc1ccccc1O[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001232890519 1376533884 /nfs/dbraw/zinc/53/38/84/1376533884.db2.gz HFLGBEYZYJWXPV-KRWDZBQOSA-N 1 2 326.371 3.359 20 30 EGEDLO COc1ccccc1O[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001232890519 1376533887 /nfs/dbraw/zinc/53/38/87/1376533887.db2.gz HFLGBEYZYJWXPV-KRWDZBQOSA-N 1 2 326.371 3.359 20 30 EGEDLO COc1ccc(OC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)nc1 ZINC001232892735 1376535448 /nfs/dbraw/zinc/53/54/48/1376535448.db2.gz VMPWFVMUFNEYHL-UHFFFAOYSA-N 1 2 341.386 3.144 20 30 EGEDLO COc1cccc([C@@H]2CSCC[N@@H+]2Cc2cccc(C#N)n2)c1 ZINC001232927002 1376539461 /nfs/dbraw/zinc/53/94/61/1376539461.db2.gz LMLAYWNMXAAGIZ-SFHVURJKSA-N 1 2 325.437 3.252 20 30 EGEDLO COc1cccc([C@@H]2CSCC[N@H+]2Cc2cccc(C#N)n2)c1 ZINC001232927002 1376539466 /nfs/dbraw/zinc/53/94/66/1376539466.db2.gz LMLAYWNMXAAGIZ-SFHVURJKSA-N 1 2 325.437 3.252 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCC12CN(C(=O)OC(C)(C)C)C2 ZINC001233080310 1376566813 /nfs/dbraw/zinc/56/68/13/1376566813.db2.gz HOKLYSGDFIPSFE-UHFFFAOYSA-N 1 2 327.428 3.062 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@H+]1CCC12CN(C(=O)OC(C)(C)C)C2 ZINC001233080310 1376566816 /nfs/dbraw/zinc/56/68/16/1376566816.db2.gz HOKLYSGDFIPSFE-UHFFFAOYSA-N 1 2 327.428 3.062 20 30 EGEDLO N#CCC(=O)c1ccccc1O[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001233525318 1376660702 /nfs/dbraw/zinc/66/07/02/1376660702.db2.gz ULDKJEFFUIUVFE-SFHVURJKSA-N 1 2 345.402 3.308 20 30 EGEDLO N#CCC(=O)c1ccccc1O[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001233525318 1376660704 /nfs/dbraw/zinc/66/07/04/1376660704.db2.gz ULDKJEFFUIUVFE-SFHVURJKSA-N 1 2 345.402 3.308 20 30 EGEDLO CCC(=CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)CC ZINC001233645236 1376690684 /nfs/dbraw/zinc/69/06/84/1376690684.db2.gz XRZZEYFCMYQQRL-LJQANCHMSA-N 1 2 325.456 3.337 20 30 EGEDLO CCC(=CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccccc1C#N)CC ZINC001233645236 1376690686 /nfs/dbraw/zinc/69/06/86/1376690686.db2.gz XRZZEYFCMYQQRL-LJQANCHMSA-N 1 2 325.456 3.337 20 30 EGEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(F)ccc1OC ZINC001233800822 1376720035 /nfs/dbraw/zinc/72/00/35/1376720035.db2.gz KNLYOLIZTILBMJ-GOSISDBHSA-N 1 2 346.446 3.061 20 30 EGEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(F)ccc1OC ZINC001233800822 1376720048 /nfs/dbraw/zinc/72/00/48/1376720048.db2.gz KNLYOLIZTILBMJ-GOSISDBHSA-N 1 2 346.446 3.061 20 30 EGEDLO C#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3cnc(Cl)s3)C2)nc1 ZINC001233966026 1376745185 /nfs/dbraw/zinc/74/51/85/1376745185.db2.gz PGPAIYWZHZIFHF-ZDUSSCGKSA-N 1 2 333.844 3.216 20 30 EGEDLO C#Cc1ccc(O[C@H]2CCC[N@H+](Cc3cnc(Cl)s3)C2)nc1 ZINC001233966026 1376745187 /nfs/dbraw/zinc/74/51/87/1376745187.db2.gz PGPAIYWZHZIFHF-ZDUSSCGKSA-N 1 2 333.844 3.216 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)CC(C)(C)C1CC1 ZINC001234112758 1376769282 /nfs/dbraw/zinc/76/92/82/1376769282.db2.gz TZDIKSLSWNCEGR-HNNXBMFYSA-N 1 2 345.512 3.479 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)CC(C)(C)C1CC1 ZINC001234112758 1376769289 /nfs/dbraw/zinc/76/92/89/1376769289.db2.gz TZDIKSLSWNCEGR-HNNXBMFYSA-N 1 2 345.512 3.479 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nnsc1Cl ZINC001135181710 1376954671 /nfs/dbraw/zinc/95/46/71/1376954671.db2.gz UIYVJSRZQGTFHF-MNOVXSKESA-N 1 2 344.912 3.167 20 30 EGEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cccc(C)c1F)CC2 ZINC001137675273 1377588950 /nfs/dbraw/zinc/58/89/50/1377588950.db2.gz ZTCCZAHBNYXTSA-UHFFFAOYSA-N 1 2 329.419 3.129 20 30 EGEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cccc(C)c1F)CC2 ZINC001137675273 1377588951 /nfs/dbraw/zinc/58/89/51/1377588951.db2.gz ZTCCZAHBNYXTSA-UHFFFAOYSA-N 1 2 329.419 3.129 20 30 EGEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2c[nH]c3ccc(Cl)cc23)CC1 ZINC001137714100 1377602260 /nfs/dbraw/zinc/60/22/60/1377602260.db2.gz HTIPCHRPJLIVOK-UHFFFAOYSA-N 1 2 345.830 3.490 20 30 EGEDLO C#CC[NH+](CC#C)Cc1cc(Br)cc(Br)c1 ZINC001137846304 1377629584 /nfs/dbraw/zinc/62/95/84/1377629584.db2.gz GVFRRBYJFVDBBR-UHFFFAOYSA-N 1 2 341.046 3.280 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cnc3[nH]ccc3c2Cl)C1 ZINC001138934359 1377805312 /nfs/dbraw/zinc/80/53/12/1377805312.db2.gz AWQYPRHWMFIMJF-ZDUSSCGKSA-N 1 2 348.834 3.045 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cnc3[nH]ccc3c2Cl)C1 ZINC001138934359 1377805313 /nfs/dbraw/zinc/80/53/13/1377805313.db2.gz AWQYPRHWMFIMJF-ZDUSSCGKSA-N 1 2 348.834 3.045 20 30 EGEDLO N#Cc1ccccc1OC1C[NH+](Cc2ccc(-c3cnccn3)cc2)C1 ZINC001139394846 1377878493 /nfs/dbraw/zinc/87/84/93/1377878493.db2.gz JSHIRVPEFBQVDK-UHFFFAOYSA-N 1 2 342.402 3.278 20 30 EGEDLO Cc1cnc(O[C@@H]2CCC[N@H+](Cc3cccc(Cl)c3C#N)C2)nc1 ZINC001139692805 1377936237 /nfs/dbraw/zinc/93/62/37/1377936237.db2.gz JYTSLZMGDQTAQX-OAHLLOKOSA-N 1 2 342.830 3.354 20 30 EGEDLO Cc1cnc(O[C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3C#N)C2)nc1 ZINC001139692805 1377936238 /nfs/dbraw/zinc/93/62/38/1377936238.db2.gz JYTSLZMGDQTAQX-OAHLLOKOSA-N 1 2 342.830 3.354 20 30 EGEDLO N#Cc1cc(F)cc(C[NH+]2CCN(c3cc(Cl)ccn3)CC2)c1 ZINC001139875163 1377969516 /nfs/dbraw/zinc/96/95/16/1377969516.db2.gz IWGBFYRYSOVYCU-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO COc1ccc(N2CC[NH+](Cc3cc(F)cc(C#N)c3)CC2)c(C)c1 ZINC001139878423 1377969989 /nfs/dbraw/zinc/96/99/89/1377969989.db2.gz LAJHDQFTNSKWOY-UHFFFAOYSA-N 1 2 339.414 3.337 20 30 EGEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3c(F)cc(F)cc3F)CC2)nc1 ZINC001140534448 1378080461 /nfs/dbraw/zinc/08/04/61/1378080461.db2.gz MVTIQSCEACUJPX-UHFFFAOYSA-N 1 2 346.356 3.083 20 30 EGEDLO N#Cc1ccc(N2CCC[N@H+](Cc3c(F)cc(F)cc3F)CC2)nc1 ZINC001140534448 1378080462 /nfs/dbraw/zinc/08/04/62/1378080462.db2.gz MVTIQSCEACUJPX-UHFFFAOYSA-N 1 2 346.356 3.083 20 30 EGEDLO N#Cc1ccc(Cl)c(C[NH+]2CCN(c3cccc(O)c3)CC2)c1 ZINC001140603932 1378096396 /nfs/dbraw/zinc/09/63/96/1378096396.db2.gz KCHQUCKCZGTRHQ-UHFFFAOYSA-N 1 2 327.815 3.239 20 30 EGEDLO CCC[N@H+](CCC#N)Cc1c2cc(Br)ccc2nn1C ZINC001140669574 1378110208 /nfs/dbraw/zinc/11/02/08/1378110208.db2.gz GSURDHDBEOUSAS-UHFFFAOYSA-N 1 2 335.249 3.461 20 30 EGEDLO CCC[N@@H+](CCC#N)Cc1c2cc(Br)ccc2nn1C ZINC001140669574 1378110209 /nfs/dbraw/zinc/11/02/09/1378110209.db2.gz GSURDHDBEOUSAS-UHFFFAOYSA-N 1 2 335.249 3.461 20 30 EGEDLO N#Cc1cc(F)ccc1CN1CC[NH+](Cc2ccccc2F)CC1 ZINC001141165286 1378257114 /nfs/dbraw/zinc/25/71/14/1378257114.db2.gz XZXSYSPFNOLPLM-UHFFFAOYSA-N 1 2 327.378 3.154 20 30 EGEDLO CC(C)(C)OC(=O)NCCC1C[NH+](Cc2ccc(F)cc2C#N)C1 ZINC001141166461 1378257299 /nfs/dbraw/zinc/25/72/99/1378257299.db2.gz PERPNFMPDWUIQZ-UHFFFAOYSA-N 1 2 333.407 3.044 20 30 EGEDLO Cc1cccc(O[C@@H]2CCC[N@H+](Cc3ccc(F)cc3C#N)C2)n1 ZINC001141168592 1378259148 /nfs/dbraw/zinc/25/91/48/1378259148.db2.gz QKYKOFNNPFUYRJ-GOSISDBHSA-N 1 2 325.387 3.444 20 30 EGEDLO Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3C#N)C2)n1 ZINC001141168592 1378259152 /nfs/dbraw/zinc/25/91/52/1378259152.db2.gz QKYKOFNNPFUYRJ-GOSISDBHSA-N 1 2 325.387 3.444 20 30 EGEDLO N#Cc1ccc(Br)cc1C[N@H+]1CCC[C@@](O)(CF)CC1 ZINC001141893939 1378391367 /nfs/dbraw/zinc/39/13/67/1378391367.db2.gz DGOBACFEZJJNGM-HNNXBMFYSA-N 1 2 341.224 3.007 20 30 EGEDLO N#Cc1ccc(Br)cc1C[N@@H+]1CCC[C@@](O)(CF)CC1 ZINC001141893939 1378391372 /nfs/dbraw/zinc/39/13/72/1378391372.db2.gz DGOBACFEZJJNGM-HNNXBMFYSA-N 1 2 341.224 3.007 20 30 EGEDLO N#Cc1ccc(Br)cc1C[N@H+]1CCCC[C@@](O)(CF)C1 ZINC001141894717 1378391707 /nfs/dbraw/zinc/39/17/07/1378391707.db2.gz RDKNTCJFEUCVFK-OAHLLOKOSA-N 1 2 341.224 3.007 20 30 EGEDLO N#Cc1ccc(Br)cc1C[N@@H+]1CCCC[C@@](O)(CF)C1 ZINC001141894717 1378391709 /nfs/dbraw/zinc/39/17/09/1378391709.db2.gz RDKNTCJFEUCVFK-OAHLLOKOSA-N 1 2 341.224 3.007 20 30 EGEDLO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc(Cl)nn2)C1 ZINC001142073697 1378410859 /nfs/dbraw/zinc/41/08/59/1378410859.db2.gz ZLPMUSOKTXPSSL-HNNXBMFYSA-N 1 2 328.803 3.045 20 30 EGEDLO N#Cc1ccccc1O[C@H]1CCC[N@H+](Cc2ccc(Cl)nn2)C1 ZINC001142073697 1378410860 /nfs/dbraw/zinc/41/08/60/1378410860.db2.gz ZLPMUSOKTXPSSL-HNNXBMFYSA-N 1 2 328.803 3.045 20 30 EGEDLO N#C[C@H]1CC[C@H](NC(=O)/C=C/c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC001142372609 1378436479 /nfs/dbraw/zinc/43/64/79/1378436479.db2.gz MIWJRMFVEWJEJH-GPFINOBTSA-N 1 2 334.423 3.143 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(F)c(F)cc3O)CC2)c(F)c1 ZINC001142527283 1378453055 /nfs/dbraw/zinc/45/30/55/1378453055.db2.gz RGGMIJYRXBSCIU-UHFFFAOYSA-N 1 2 347.340 3.003 20 30 EGEDLO N#Cc1ccc2c(C[N@@H+]3CCN4CCc5ccccc5[C@H]4C3)c[nH]c2c1 ZINC001142922413 1378510029 /nfs/dbraw/zinc/51/00/29/1378510029.db2.gz GZQLNYPNDSGZOJ-JOCHJYFZSA-N 1 2 342.446 3.455 20 30 EGEDLO N#Cc1ccc2c(C[N@H+]3CCN4CCc5ccccc5[C@H]4C3)c[nH]c2c1 ZINC001142922413 1378510031 /nfs/dbraw/zinc/51/00/31/1378510031.db2.gz GZQLNYPNDSGZOJ-JOCHJYFZSA-N 1 2 342.446 3.455 20 30 EGEDLO CCC(C)(C)C(=O)N[C@@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001282735965 1378585990 /nfs/dbraw/zinc/58/59/90/1378585990.db2.gz XTWOGJUECGDHCM-ZDUSSCGKSA-N 1 2 331.435 3.070 20 30 EGEDLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001143538176 1378611772 /nfs/dbraw/zinc/61/17/72/1378611772.db2.gz JNBVMFYTKJLBPO-NSHDSACASA-N 1 2 347.230 3.223 20 30 EGEDLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001143538176 1378611774 /nfs/dbraw/zinc/61/17/74/1378611774.db2.gz JNBVMFYTKJLBPO-NSHDSACASA-N 1 2 347.230 3.223 20 30 EGEDLO CCN1C(=O)CCC12CC[NH+](Cc1c(Cl)cccc1C#N)CC2 ZINC001143717350 1378638711 /nfs/dbraw/zinc/63/87/11/1378638711.db2.gz CXZHOHFYYGLQPI-UHFFFAOYSA-N 1 2 331.847 3.189 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)CC(C)=C(C)C)C2)C1 ZINC001148064399 1379111842 /nfs/dbraw/zinc/11/18/42/1379111842.db2.gz CYWBOJAJNVSNNX-UHFFFAOYSA-N 1 2 341.293 3.176 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)CC(C)=C(C)C)C2)C1 ZINC001148064399 1379111843 /nfs/dbraw/zinc/11/18/43/1379111843.db2.gz CYWBOJAJNVSNNX-UHFFFAOYSA-N 1 2 341.293 3.176 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ccn(C(C)C)n1)C2 ZINC001148129464 1379122180 /nfs/dbraw/zinc/12/21/80/1379122180.db2.gz FLSSHKOHLPTJPA-KRWDZBQOSA-N 1 2 344.503 3.101 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1ccn(C(C)C)n1)C2 ZINC001148129464 1379122181 /nfs/dbraw/zinc/12/21/81/1379122181.db2.gz FLSSHKOHLPTJPA-KRWDZBQOSA-N 1 2 344.503 3.101 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C\Cl)C2 ZINC001148131431 1379122565 /nfs/dbraw/zinc/12/25/65/1379122565.db2.gz STHOZSJBDXHDPY-SJWLEHQBSA-N 1 2 331.287 3.442 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](C/C(Cl)=C\Cl)C2 ZINC001148131431 1379122566 /nfs/dbraw/zinc/12/25/66/1379122566.db2.gz STHOZSJBDXHDPY-SJWLEHQBSA-N 1 2 331.287 3.442 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@H+](CC(=C)Br)C2 ZINC001148357374 1379156068 /nfs/dbraw/zinc/15/60/68/1379156068.db2.gz LJGJSNWQLZMMCA-UHFFFAOYSA-N 1 2 341.293 3.032 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@@H+](CC(=C)Br)C2 ZINC001148357374 1379156069 /nfs/dbraw/zinc/15/60/69/1379156069.db2.gz LJGJSNWQLZMMCA-UHFFFAOYSA-N 1 2 341.293 3.032 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C)CC(C)(C)C)C1 ZINC001150410340 1379550632 /nfs/dbraw/zinc/55/06/32/1379550632.db2.gz OGYIIPKBMAYBAG-HIFRSBDPSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C)CC(C)(C)C)C1 ZINC001150410340 1379550635 /nfs/dbraw/zinc/55/06/35/1379550635.db2.gz OGYIIPKBMAYBAG-HIFRSBDPSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C[C@@H](C)CC(C)C)C1 ZINC001150573131 1379571524 /nfs/dbraw/zinc/57/15/24/1379571524.db2.gz ZMLZPVAANHDJHU-HOCLYGCPSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C[C@@H](C)CC(C)C)C1 ZINC001150573131 1379571530 /nfs/dbraw/zinc/57/15/30/1379571530.db2.gz ZMLZPVAANHDJHU-HOCLYGCPSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccccc1 ZINC001151648122 1379755987 /nfs/dbraw/zinc/75/59/87/1379755987.db2.gz BZMAKUSBWSVXNE-CYBMUJFWSA-N 1 2 325.250 3.035 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1 ZINC001151648122 1379755992 /nfs/dbraw/zinc/75/59/92/1379755992.db2.gz BZMAKUSBWSVXNE-CYBMUJFWSA-N 1 2 325.250 3.035 20 30 EGEDLO CCC[C@@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(F)ccc1C#N ZINC001152459821 1379936751 /nfs/dbraw/zinc/93/67/51/1379936751.db2.gz JMRGKXMBTQNUQW-HUUCEWRRSA-N 1 2 333.451 3.460 20 30 EGEDLO CCC[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(F)ccc1C#N ZINC001152459821 1379936754 /nfs/dbraw/zinc/93/67/54/1379936754.db2.gz JMRGKXMBTQNUQW-HUUCEWRRSA-N 1 2 333.451 3.460 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1coc(C2CC2)n1 ZINC001153608737 1380102552 /nfs/dbraw/zinc/10/25/52/1380102552.db2.gz OQETWPDSAFDUIN-CQSZACIVSA-N 1 2 333.476 3.481 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1coc(C2CC2)n1 ZINC001153608737 1380102553 /nfs/dbraw/zinc/10/25/53/1380102553.db2.gz OQETWPDSAFDUIN-CQSZACIVSA-N 1 2 333.476 3.481 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1c(C)nn(C)c1Cl ZINC001153641900 1380108973 /nfs/dbraw/zinc/10/89/73/1380108973.db2.gz KPVDJZFEIHXIBL-CYBMUJFWSA-N 1 2 340.899 3.065 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1c(C)nn(C)c1Cl ZINC001153641900 1380108975 /nfs/dbraw/zinc/10/89/75/1380108975.db2.gz KPVDJZFEIHXIBL-CYBMUJFWSA-N 1 2 340.899 3.065 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@H]1C=CCCC1 ZINC001153995103 1380174677 /nfs/dbraw/zinc/17/46/77/1380174677.db2.gz SSFOVGOZASDAMP-CABCVRRESA-N 1 2 343.309 3.468 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C[C@H]1C=CCCC1 ZINC001153995103 1380174678 /nfs/dbraw/zinc/17/46/78/1380174678.db2.gz SSFOVGOZASDAMP-CABCVRRESA-N 1 2 343.309 3.468 20 30 EGEDLO C=C(C)C(=O)NCCCNc1[nH+]cnc2[nH]c3ccc(Cl)cc3c21 ZINC001156826347 1380657890 /nfs/dbraw/zinc/65/78/90/1380657890.db2.gz QOAVNCLAVWHPDX-UHFFFAOYSA-N 1 2 343.818 3.259 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2cscn2)CCCCC1 ZINC001157241386 1380821381 /nfs/dbraw/zinc/82/13/81/1380821381.db2.gz PGYDLJLYCISKII-MRXNPFEDSA-N 1 2 347.528 3.444 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2cscn2)CCCCC1 ZINC001157241386 1380821383 /nfs/dbraw/zinc/82/13/83/1380821383.db2.gz PGYDLJLYCISKII-MRXNPFEDSA-N 1 2 347.528 3.444 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1csc(C(C)(C)C)n1 ZINC001755317170 1440816141 /nfs/dbraw/zinc/81/61/41/1440816141.db2.gz BADSXNZCNPSVQT-LBPRGKRZSA-N 1 2 343.924 3.172 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1csc(C(C)(C)C)n1 ZINC001755317170 1440816142 /nfs/dbraw/zinc/81/61/42/1440816142.db2.gz BADSXNZCNPSVQT-LBPRGKRZSA-N 1 2 343.924 3.172 20 30 EGEDLO C[N@H+](CC=C(Cl)Cl)C[C@H]1CCCCN1C(=O)C#CC1CC1 ZINC001157925720 1381073107 /nfs/dbraw/zinc/07/31/07/1381073107.db2.gz PSBTZYZEMZUOLS-CQSZACIVSA-N 1 2 329.271 3.032 20 30 EGEDLO C[N@@H+](CC=C(Cl)Cl)C[C@H]1CCCCN1C(=O)C#CC1CC1 ZINC001157925720 1381073112 /nfs/dbraw/zinc/07/31/12/1381073112.db2.gz PSBTZYZEMZUOLS-CQSZACIVSA-N 1 2 329.271 3.032 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nccn1C ZINC001157994340 1381095140 /nfs/dbraw/zinc/09/51/40/1381095140.db2.gz KTELMRPSEARADL-GOSISDBHSA-N 1 2 344.503 3.001 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nccn1C ZINC001157994340 1381095148 /nfs/dbraw/zinc/09/51/48/1381095148.db2.gz KTELMRPSEARADL-GOSISDBHSA-N 1 2 344.503 3.001 20 30 EGEDLO C=CCCC(=O)NCCC1=CC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001159538936 1381821682 /nfs/dbraw/zinc/82/16/82/1381821682.db2.gz SPUPHDANYJPOTI-UHFFFAOYSA-N 1 2 349.456 3.261 20 30 EGEDLO C=CCCC(=O)NCCC1=CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001159538936 1381821686 /nfs/dbraw/zinc/82/16/86/1381821686.db2.gz SPUPHDANYJPOTI-UHFFFAOYSA-N 1 2 349.456 3.261 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@H+]([C@H](C)c2nc(C)no2)CC1 ZINC001160252932 1382050452 /nfs/dbraw/zinc/05/04/52/1382050452.db2.gz BBSKWLKLFDHHBE-CQSZACIVSA-N 1 2 346.475 3.180 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@@H+]([C@H](C)c2nc(C)no2)CC1 ZINC001160252932 1382050458 /nfs/dbraw/zinc/05/04/58/1382050458.db2.gz BBSKWLKLFDHHBE-CQSZACIVSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C(C)CCC(=O)NCCC1=CC[N@H+]([C@H](C)c2nc(CC)no2)CC1 ZINC001160264681 1382055576 /nfs/dbraw/zinc/05/55/76/1382055576.db2.gz XMMYNIIOMURDGU-OAHLLOKOSA-N 1 2 346.475 3.188 20 30 EGEDLO C=C(C)CCC(=O)NCCC1=CC[N@@H+]([C@H](C)c2nc(CC)no2)CC1 ZINC001160264681 1382055583 /nfs/dbraw/zinc/05/55/83/1382055583.db2.gz XMMYNIIOMURDGU-OAHLLOKOSA-N 1 2 346.475 3.188 20 30 EGEDLO N#Cc1cnccc1Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC001160347597 1382079205 /nfs/dbraw/zinc/07/92/05/1382079205.db2.gz FCNFOMKOTAIVAG-MRXNPFEDSA-N 1 2 330.338 3.073 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@H+]([C@H](C)c2nnc(CC)o2)CC1 ZINC001160888224 1382225315 /nfs/dbraw/zinc/22/53/15/1382225315.db2.gz AZJZPUQYWDBRNN-CQSZACIVSA-N 1 2 346.475 3.044 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@@H+]([C@H](C)c2nnc(CC)o2)CC1 ZINC001160888224 1382225319 /nfs/dbraw/zinc/22/53/19/1382225319.db2.gz AZJZPUQYWDBRNN-CQSZACIVSA-N 1 2 346.475 3.044 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2ncccn2)CC1 ZINC001160990451 1382263591 /nfs/dbraw/zinc/26/35/91/1382263591.db2.gz AQXSVNYDEDBWFB-DLBZAZTESA-N 1 2 342.487 3.278 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@H+]([C@@H](C)c2ncccn2)CC1 ZINC001160990451 1382263598 /nfs/dbraw/zinc/26/35/98/1382263598.db2.gz AQXSVNYDEDBWFB-DLBZAZTESA-N 1 2 342.487 3.278 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@H+](Cc2coc(C)n2)CC1 ZINC001161116418 1382304810 /nfs/dbraw/zinc/30/48/10/1382304810.db2.gz IHDNRUBXYPJMCC-LJQANCHMSA-N 1 2 331.460 3.224 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@@H+](Cc2coc(C)n2)CC1 ZINC001161116418 1382304816 /nfs/dbraw/zinc/30/48/16/1382304816.db2.gz IHDNRUBXYPJMCC-LJQANCHMSA-N 1 2 331.460 3.224 20 30 EGEDLO CC(C)(C)C(=O)Nc1ccc(C#N)nc1NCc1ccc2[nH+]ccn2c1 ZINC001163139739 1382975013 /nfs/dbraw/zinc/97/50/13/1382975013.db2.gz VSPODUFPAIQJEJ-UHFFFAOYSA-N 1 2 348.410 3.198 20 30 EGEDLO COC(CN(Cc1ccccc1)c1[nH+]ccc2[nH]cc(C#N)c21)OC ZINC001164100467 1383156241 /nfs/dbraw/zinc/15/62/41/1383156241.db2.gz AMRFUWVILQZQJW-UHFFFAOYSA-N 1 2 336.395 3.060 20 30 EGEDLO N#Cc1ccc2cc[nH+]c(N3CCC[C@@H](C(F)(F)F)[C@H]3CO)c2c1 ZINC001164299157 1383175580 /nfs/dbraw/zinc/17/55/80/1383175580.db2.gz LNXXOYMBGZBPOC-HUUCEWRRSA-N 1 2 335.329 3.246 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12CN(c1cc(C)[nH+]c(C(C)C)n1)CCO2 ZINC001166369998 1383415985 /nfs/dbraw/zinc/41/59/85/1383415985.db2.gz BAGVNOIAXNAXJK-YLJYHZDGSA-N 1 2 345.487 3.487 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCCC1(C[NH2+]CC(F)(F)C(F)F)CC1 ZINC001166703680 1383463696 /nfs/dbraw/zinc/46/36/96/1383463696.db2.gz IVOMWOQJIKPSJM-RYUDHWBXSA-N 1 2 338.389 3.221 20 30 EGEDLO CCOC(=O)N1CCC(N(C)c2[nH+]ccc3ccc(C#N)cc32)CC1 ZINC001167032326 1383523835 /nfs/dbraw/zinc/52/38/35/1383523835.db2.gz WAIGVLLOCFXXNN-UHFFFAOYSA-N 1 2 338.411 3.164 20 30 EGEDLO CCOC(=O)[C@H]1CCN(c2cc(CC#N)cc[nH+]2)C[C@H]1c1ccccc1 ZINC001167195726 1383564479 /nfs/dbraw/zinc/56/44/79/1383564479.db2.gz SGUJIPYFFDFRJK-OALUTQOASA-N 1 2 349.434 3.321 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1(C[NH2+]CC(F)(F)C(F)F)CC1 ZINC001167335713 1383601768 /nfs/dbraw/zinc/60/17/68/1383601768.db2.gz NXRKXDIGBHCEKI-UHFFFAOYSA-N 1 2 338.389 3.365 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](C#N)C2)C[C@@H]1C(F)(F)F ZINC001168571413 1383939652 /nfs/dbraw/zinc/93/96/52/1383939652.db2.gz WTVAESKYZQVPCV-JHJVBQTASA-N 1 2 347.381 3.162 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CC[C@H](C#N)C2)C[C@@H]1C(F)(F)F ZINC001168571413 1383939657 /nfs/dbraw/zinc/93/96/57/1383939657.db2.gz WTVAESKYZQVPCV-JHJVBQTASA-N 1 2 347.381 3.162 20 30 EGEDLO N#Cc1sccc1N1CC[NH+](CCc2c(F)cccc2F)CC1 ZINC001307926299 1384057131 /nfs/dbraw/zinc/05/71/31/1384057131.db2.gz BYUGXAHCPISZIE-UHFFFAOYSA-N 1 2 333.407 3.263 20 30 EGEDLO Cc1[nH+]cn(-c2ccc(N[C@@H]3CCc4c3cccc4C#N)nn2)c1C ZINC001171065345 1384440108 /nfs/dbraw/zinc/44/01/08/1384440108.db2.gz WYZNOQGDJMBZKM-QGZVFWFLSA-N 1 2 330.395 3.250 20 30 EGEDLO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ncc(C)c2ccccc12 ZINC001171067573 1384440672 /nfs/dbraw/zinc/44/06/72/1384440672.db2.gz KOVQCEUPXOXBJM-KRWDZBQOSA-N 1 2 327.428 3.182 20 30 EGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172294942 1384762322 /nfs/dbraw/zinc/76/23/22/1384762322.db2.gz NZOJBOKUQLMHRD-OXQOHEQNSA-N 1 2 336.435 3.253 20 30 EGEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCc2ccc(C)cc2C1 ZINC001172837716 1384862701 /nfs/dbraw/zinc/86/27/01/1384862701.db2.gz MCQCDMDVBQTQHY-RTWAWAEBSA-N 1 2 348.446 3.098 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCCC2(F)F)C[C@H]1C#N ZINC001172982575 1384895122 /nfs/dbraw/zinc/89/51/22/1384895122.db2.gz DPXPMPDYJJXFDH-AVGNSLFASA-N 1 2 329.391 3.055 20 30 EGEDLO CC(C)OC(=O)[C@H](Cc1ccc(O)cc1)[NH2+]C1CCC(CC#N)CC1 ZINC001173331724 1384959968 /nfs/dbraw/zinc/95/99/68/1384959968.db2.gz FZTIOKLAIRDFBT-KVWWFHCMSA-N 1 2 344.455 3.317 20 30 EGEDLO C#Cc1cc(Nc2cccc(C(=O)NCc3ccccc3)c2)cc[nH+]1 ZINC001174181326 1385072436 /nfs/dbraw/zinc/07/24/36/1385072436.db2.gz ICUZISMPYJUWTO-UHFFFAOYSA-N 1 2 327.387 3.158 20 30 EGEDLO Nc1ccccc1C(NO)=[NH+]c1cccc(O[C@@H]2CCCCO2)c1 ZINC001175189281 1385215286 /nfs/dbraw/zinc/21/52/86/1385215286.db2.gz DEXHTSIWWIFNLG-QGZVFWFLSA-N 1 2 327.384 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)C[C@@H](C)c1c(C)noc1C)C1CC1 ZINC001317553122 1385315532 /nfs/dbraw/zinc/31/55/32/1385315532.db2.gz GWBMMBYMQZRBNW-LLVKDONJSA-N 1 2 339.867 3.118 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)C[C@@H](C)c1c(C)noc1C)C1CC1 ZINC001317553122 1385315536 /nfs/dbraw/zinc/31/55/36/1385315536.db2.gz GWBMMBYMQZRBNW-LLVKDONJSA-N 1 2 339.867 3.118 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(CCC)C(=O)C2CCCC2)C1 ZINC001317750841 1385439169 /nfs/dbraw/zinc/43/91/69/1385439169.db2.gz SZQPCMOGTRYFNV-HNNXBMFYSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CCC)C(=O)C2CCCC2)C1 ZINC001317750841 1385439173 /nfs/dbraw/zinc/43/91/73/1385439173.db2.gz SZQPCMOGTRYFNV-HNNXBMFYSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cnc3[nH]ccc3c2)C1 ZINC001317761006 1385450543 /nfs/dbraw/zinc/45/05/43/1385450543.db2.gz CIHGRBMBPCRLMD-MRXNPFEDSA-N 1 2 346.862 3.194 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cnc3[nH]ccc3c2)C1 ZINC001317761006 1385450545 /nfs/dbraw/zinc/45/05/45/1385450545.db2.gz CIHGRBMBPCRLMD-MRXNPFEDSA-N 1 2 346.862 3.194 20 30 EGEDLO CC(C)(C)CC(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001317956422 1385586389 /nfs/dbraw/zinc/58/63/89/1385586389.db2.gz QQDYJDKJSNPSQB-INIZCTEOSA-N 1 2 331.435 3.214 20 30 EGEDLO CC(C)(C)CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001317956422 1385586393 /nfs/dbraw/zinc/58/63/93/1385586393.db2.gz QQDYJDKJSNPSQB-INIZCTEOSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)COc2ccccc2C(C)C)C1 ZINC001318369937 1385657247 /nfs/dbraw/zinc/65/72/47/1385657247.db2.gz AAEJZQWIRBQWDP-OAHLLOKOSA-N 1 2 336.863 3.132 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)COc2ccccc2C(C)C)C1 ZINC001318369937 1385657242 /nfs/dbraw/zinc/65/72/42/1385657242.db2.gz AAEJZQWIRBQWDP-OAHLLOKOSA-N 1 2 336.863 3.132 20 30 EGEDLO C=CC1(CC(=O)N2CC[C@H]3OCC[N@@H+](CC(=C)C)[C@@H]3C2)CCCCC1 ZINC001177112604 1385817968 /nfs/dbraw/zinc/81/79/68/1385817968.db2.gz JEOLBCKDIZOULY-RTBURBONSA-N 1 2 346.515 3.391 20 30 EGEDLO C=CC1(CC(=O)N2CC[C@H]3OCC[N@H+](CC(=C)C)[C@@H]3C2)CCCCC1 ZINC001177112604 1385817973 /nfs/dbraw/zinc/81/79/73/1385817973.db2.gz JEOLBCKDIZOULY-RTBURBONSA-N 1 2 346.515 3.391 20 30 EGEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCCCCCCCC)C[C@H]21 ZINC001177138495 1385829356 /nfs/dbraw/zinc/82/93/56/1385829356.db2.gz LWFBMPQWMHZSKX-UXHICEINSA-N 1 2 348.531 3.452 20 30 EGEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCCCCCCCC)C[C@H]21 ZINC001177138495 1385829357 /nfs/dbraw/zinc/82/93/57/1385829357.db2.gz LWFBMPQWMHZSKX-UXHICEINSA-N 1 2 348.531 3.452 20 30 EGEDLO C[C@H](C(=O)NC1=C(c2ccccc2)C(=O)c2ccccc21)n1cc[nH+]c1 ZINC001177926305 1386086215 /nfs/dbraw/zinc/08/62/15/1386086215.db2.gz AZNMAJSOPCRMFK-CQSZACIVSA-N 1 2 343.386 3.325 20 30 EGEDLO N#Cc1ccc(-c2ccccc2NC(=O)[C@@H]2CCc3[nH+]ccn3C2)nc1 ZINC001178118028 1386134939 /nfs/dbraw/zinc/13/49/39/1386134939.db2.gz NQURKQKEHPPPKW-OAHLLOKOSA-N 1 2 343.390 3.018 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1sccc1C ZINC001319999536 1386444443 /nfs/dbraw/zinc/44/44/43/1386444443.db2.gz IFUAKFYBGLCGTL-ZIAGYGMSSA-N 1 2 326.893 3.303 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1sccc1C ZINC001319999536 1386444441 /nfs/dbraw/zinc/44/44/41/1386444441.db2.gz IFUAKFYBGLCGTL-ZIAGYGMSSA-N 1 2 326.893 3.303 20 30 EGEDLO N#Cc1cc(CC(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)ccc1F ZINC001181191372 1386955336 /nfs/dbraw/zinc/95/53/36/1386955336.db2.gz VYFPJQVQCUEVAC-UHFFFAOYSA-N 1 2 334.354 3.123 20 30 EGEDLO N#Cc1cc(Cl)nc(NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC001337935199 1389487401 /nfs/dbraw/zinc/48/74/01/1389487401.db2.gz KXHGIOIBXUYDMD-UHFFFAOYSA-N 1 2 345.859 3.167 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC001340263737 1390260814 /nfs/dbraw/zinc/26/08/14/1390260814.db2.gz HKKVMCHRLOFWHX-IXDOHACOSA-N 1 2 329.492 3.247 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC001340263737 1390260817 /nfs/dbraw/zinc/26/08/17/1390260817.db2.gz HKKVMCHRLOFWHX-IXDOHACOSA-N 1 2 329.492 3.247 20 30 EGEDLO CC(C)(C)c1csc(NC(=O)N2CCn3c[nH+]cc3C2)c1C#N ZINC001333502380 1390320002 /nfs/dbraw/zinc/32/00/02/1390320002.db2.gz KCKJSCPWUUZLDX-UHFFFAOYSA-N 1 2 329.429 3.161 20 30 EGEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@@H](C)C1CCCCC1 ZINC001340733140 1390355631 /nfs/dbraw/zinc/35/56/31/1390355631.db2.gz NVAPWFVSBNKXPG-HNNXBMFYSA-N 1 2 342.491 3.193 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCc2ccsc2C1 ZINC001341903097 1390547420 /nfs/dbraw/zinc/54/74/20/1390547420.db2.gz KVYPMOXYQOTZLL-OAHLLOKOSA-N 1 2 343.500 3.245 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCc2ccsc2C1 ZINC001341903097 1390547422 /nfs/dbraw/zinc/54/74/22/1390547422.db2.gz KVYPMOXYQOTZLL-OAHLLOKOSA-N 1 2 343.500 3.245 20 30 EGEDLO C=C(C)CN(CC)c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1CC(=C)C ZINC001342353878 1390604086 /nfs/dbraw/zinc/60/40/86/1390604086.db2.gz ABRIHHXLDVAYSC-QGZVFWFLSA-N 1 2 347.507 3.038 20 30 EGEDLO C=C(C)CN(CC)c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1CC(=C)C ZINC001342353878 1390604089 /nfs/dbraw/zinc/60/40/89/1390604089.db2.gz ABRIHHXLDVAYSC-QGZVFWFLSA-N 1 2 347.507 3.038 20 30 EGEDLO C=CCN(C)c1nnc([C@H]2CCCC[N@@H+]2C)n1CCc1ccccc1 ZINC001342488210 1390617865 /nfs/dbraw/zinc/61/78/65/1390617865.db2.gz UWPLZPGMBMEZOB-GOSISDBHSA-N 1 2 339.487 3.300 20 30 EGEDLO C=CCN(C)c1nnc([C@H]2CCCC[N@H+]2C)n1CCc1ccccc1 ZINC001342488210 1390617868 /nfs/dbraw/zinc/61/78/68/1390617868.db2.gz UWPLZPGMBMEZOB-GOSISDBHSA-N 1 2 339.487 3.300 20 30 EGEDLO C[C@H](COc1cccc(C#N)c1)OC(=O)C[N@H+](C)Cc1ccccc1 ZINC001342583280 1390629032 /nfs/dbraw/zinc/62/90/32/1390629032.db2.gz LGXQRBTXUFWJOH-MRXNPFEDSA-N 1 2 338.407 3.001 20 30 EGEDLO C[C@H](COc1cccc(C#N)c1)OC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001342583280 1390629035 /nfs/dbraw/zinc/62/90/35/1390629035.db2.gz LGXQRBTXUFWJOH-MRXNPFEDSA-N 1 2 338.407 3.001 20 30 EGEDLO CC[C@@H](C)CN(CC)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC ZINC001342685267 1390641246 /nfs/dbraw/zinc/64/12/46/1390641246.db2.gz HWLHDDKTFBWQME-MRXNPFEDSA-N 1 2 346.523 3.263 20 30 EGEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H](CC)CC1 ZINC001343421147 1390712923 /nfs/dbraw/zinc/71/29/23/1390712923.db2.gz ZZYXLLBWGYZRII-INIZCTEOSA-N 1 2 342.491 3.195 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@@H](CCC)C1 ZINC001343926991 1390744618 /nfs/dbraw/zinc/74/46/18/1390744618.db2.gz FKRCSNCCEVQAMB-DLBZAZTESA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCO[C@@H](CCC)C1 ZINC001343926991 1390744620 /nfs/dbraw/zinc/74/46/20/1390744620.db2.gz FKRCSNCCEVQAMB-DLBZAZTESA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@H](CCC)C1 ZINC001343926992 1390744828 /nfs/dbraw/zinc/74/48/28/1390744828.db2.gz FKRCSNCCEVQAMB-IAGOWNOFSA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCO[C@H](CCC)C1 ZINC001343926992 1390744829 /nfs/dbraw/zinc/74/48/29/1390744829.db2.gz FKRCSNCCEVQAMB-IAGOWNOFSA-N 1 2 347.507 3.016 20 30 EGEDLO N#Cc1ccc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c(F)c1 ZINC001346973516 1390990325 /nfs/dbraw/zinc/99/03/25/1390990325.db2.gz AONBPLQLHFZBFX-UHFFFAOYSA-N 1 2 340.402 3.226 20 30 EGEDLO Cc1cc(C#N)cc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)c1 ZINC001348021354 1391160898 /nfs/dbraw/zinc/16/08/98/1391160898.db2.gz QONBFWGVCINOBG-LJQANCHMSA-N 1 2 334.423 3.255 20 30 EGEDLO Cc1cc(C#N)cc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)c1 ZINC001348021354 1391160903 /nfs/dbraw/zinc/16/09/03/1391160903.db2.gz QONBFWGVCINOBG-LJQANCHMSA-N 1 2 334.423 3.255 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1C[C@@H](CC)O[C@@H](CC)C1 ZINC001351615506 1391657492 /nfs/dbraw/zinc/65/74/92/1391657492.db2.gz JQJGRROUIHIVMG-IXDOHACOSA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1C[C@@H](CC)O[C@@H](CC)C1 ZINC001351615506 1391657494 /nfs/dbraw/zinc/65/74/94/1391657494.db2.gz JQJGRROUIHIVMG-IXDOHACOSA-N 1 2 347.507 3.015 20 30 EGEDLO CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001479909892 1392477487 /nfs/dbraw/zinc/47/74/87/1392477487.db2.gz WKFTVPQMQMBOTA-MRXNPFEDSA-N 1 2 331.435 3.214 20 30 EGEDLO CCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001479909892 1392477489 /nfs/dbraw/zinc/47/74/89/1392477489.db2.gz WKFTVPQMQMBOTA-MRXNPFEDSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)c2cscn2)CC1 ZINC001479991152 1392522838 /nfs/dbraw/zinc/52/28/38/1392522838.db2.gz AJAOMLOINKSTRD-UHFFFAOYSA-N 1 2 327.881 3.212 20 30 EGEDLO Cc1ccc(C(=O)NCC[N@@H+](C)Cc2cc(C#N)ccc2F)cc1F ZINC001480887914 1392999322 /nfs/dbraw/zinc/99/93/22/1392999322.db2.gz UMLNAGDTEYVRON-UHFFFAOYSA-N 1 2 343.377 3.007 20 30 EGEDLO Cc1ccc(C(=O)NCC[N@H+](C)Cc2cc(C#N)ccc2F)cc1F ZINC001480887914 1392999325 /nfs/dbraw/zinc/99/93/25/1392999325.db2.gz UMLNAGDTEYVRON-UHFFFAOYSA-N 1 2 343.377 3.007 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1 ZINC001481187010 1393145451 /nfs/dbraw/zinc/14/54/51/1393145451.db2.gz BZSNZZKPNDQWEL-UYAOXDASSA-N 1 2 339.483 3.321 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1 ZINC001481187010 1393145454 /nfs/dbraw/zinc/14/54/54/1393145454.db2.gz BZSNZZKPNDQWEL-UYAOXDASSA-N 1 2 339.483 3.321 20 30 EGEDLO C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)COc1cc(C)cc(C)c1 ZINC001483955549 1395161483 /nfs/dbraw/zinc/16/14/83/1395161483.db2.gz KZIWQACNIMEHCG-INIZCTEOSA-N 1 2 336.863 3.015 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc(-c2cccs2)on1 ZINC001698993203 1406786393 /nfs/dbraw/zinc/78/63/93/1406786393.db2.gz ZRSOHCPUPJZJTB-UHFFFAOYSA-N 1 2 339.848 3.159 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc(-c2cccs2)on1 ZINC001698993203 1406786395 /nfs/dbraw/zinc/78/63/95/1406786395.db2.gz ZRSOHCPUPJZJTB-UHFFFAOYSA-N 1 2 339.848 3.159 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cc2ccccc2n1CC ZINC001485387799 1395876288 /nfs/dbraw/zinc/87/62/88/1395876288.db2.gz IUVRNXBLZGYHLH-AWEZNQCLSA-N 1 2 333.863 3.464 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cc2ccccc2n1CC ZINC001485387799 1395876296 /nfs/dbraw/zinc/87/62/96/1395876296.db2.gz IUVRNXBLZGYHLH-AWEZNQCLSA-N 1 2 333.863 3.464 20 30 EGEDLO CCc1ccc(C(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2F)cc1 ZINC001492836360 1396326007 /nfs/dbraw/zinc/32/60/07/1396326007.db2.gz ZTCWWYWMZKONRS-UHFFFAOYSA-N 1 2 339.414 3.122 20 30 EGEDLO CCc1ccc(C(=O)NCC[N@@H+](C)Cc2ccc(C#N)cc2F)cc1 ZINC001492836360 1396326008 /nfs/dbraw/zinc/32/60/08/1396326008.db2.gz ZTCWWYWMZKONRS-UHFFFAOYSA-N 1 2 339.414 3.122 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1coc(-c2ccccc2)n1 ZINC001699002504 1406817450 /nfs/dbraw/zinc/81/74/50/1406817450.db2.gz RLRGYZUYMGJHCX-UHFFFAOYSA-N 1 2 333.819 3.098 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1coc(-c2ccccc2)n1 ZINC001699002504 1406817454 /nfs/dbraw/zinc/81/74/54/1406817454.db2.gz RLRGYZUYMGJHCX-UHFFFAOYSA-N 1 2 333.819 3.098 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)CCCC2CC2)C1 ZINC001494843512 1396499607 /nfs/dbraw/zinc/49/96/07/1396499607.db2.gz NNQWFKYJFCCBDO-CQSZACIVSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)CCCC2CC2)C1 ZINC001494843512 1396499609 /nfs/dbraw/zinc/49/96/09/1396499609.db2.gz NNQWFKYJFCCBDO-CQSZACIVSA-N 1 2 329.282 3.008 20 30 EGEDLO CC1(C)CC[C@H](C(=O)NCC[N@H+](Cc2ccccc2C#N)C2CC2)C1 ZINC001691225742 1405165848 /nfs/dbraw/zinc/16/58/48/1405165848.db2.gz NKACGLJBEJMWTI-INIZCTEOSA-N 1 2 339.483 3.465 20 30 EGEDLO CC1(C)CC[C@H](C(=O)NCC[N@@H+](Cc2ccccc2C#N)C2CC2)C1 ZINC001691225742 1405165851 /nfs/dbraw/zinc/16/58/51/1405165851.db2.gz NKACGLJBEJMWTI-INIZCTEOSA-N 1 2 339.483 3.465 20 30 EGEDLO C[C@H](CC(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1)C1CC1 ZINC001691236707 1405175781 /nfs/dbraw/zinc/17/57/81/1405175781.db2.gz KNEYZXMCLNWZMO-CQSZACIVSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H](CC(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1)C1CC1 ZINC001691236707 1405175784 /nfs/dbraw/zinc/17/57/84/1405175784.db2.gz KNEYZXMCLNWZMO-CQSZACIVSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)CCCc2ccccn2)C1 ZINC001691867155 1405587717 /nfs/dbraw/zinc/58/77/17/1405587717.db2.gz NRCIYRAYYSCNNA-SFHVURJKSA-N 1 2 349.906 3.470 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)CCCc2ccccn2)C1 ZINC001691867155 1405587718 /nfs/dbraw/zinc/58/77/18/1405587718.db2.gz NRCIYRAYYSCNNA-SFHVURJKSA-N 1 2 349.906 3.470 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CCOc2ccccc2)C1 ZINC001698588365 1406207478 /nfs/dbraw/zinc/20/74/78/1406207478.db2.gz WMRYRMBSDRYISZ-MRXNPFEDSA-N 1 2 336.863 3.131 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCOc2ccccc2)C1 ZINC001698588365 1406207482 /nfs/dbraw/zinc/20/74/82/1406207482.db2.gz WMRYRMBSDRYISZ-MRXNPFEDSA-N 1 2 336.863 3.131 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C(C)(C)c2ccccc2Cl)C1 ZINC001732137448 1428383095 /nfs/dbraw/zinc/38/30/95/1428383095.db2.gz JVYPEBNRLSJVSY-UHFFFAOYSA-N 1 2 341.282 3.418 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C2(c3ccccc3C)CC2)C1 ZINC001700548843 1414218093 /nfs/dbraw/zinc/21/80/93/1414218093.db2.gz DNAOXTMDUKLKST-HNNXBMFYSA-N 1 2 332.875 3.216 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCc2ccsc2)[C@@H]1C ZINC001700880115 1414535868 /nfs/dbraw/zinc/53/58/68/1414535868.db2.gz VZRAPJRYTSZMMC-ZFWWWQNUSA-N 1 2 326.893 3.402 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCc2ccsc2)[C@@H]1C ZINC001700880115 1414535869 /nfs/dbraw/zinc/53/58/69/1414535869.db2.gz VZRAPJRYTSZMMC-ZFWWWQNUSA-N 1 2 326.893 3.402 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCc2ccsc2)[C@H]1C ZINC001700880114 1414536374 /nfs/dbraw/zinc/53/63/74/1414536374.db2.gz VZRAPJRYTSZMMC-UKRRQHHQSA-N 1 2 326.893 3.402 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCc2ccsc2)[C@H]1C ZINC001700880114 1414536376 /nfs/dbraw/zinc/53/63/76/1414536376.db2.gz VZRAPJRYTSZMMC-UKRRQHHQSA-N 1 2 326.893 3.402 20 30 EGEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)[C@H]1CC12CCCC2 ZINC001713551345 1418332222 /nfs/dbraw/zinc/33/22/22/1418332222.db2.gz JVGLVQGNPUGAOQ-CQSZACIVSA-N 1 2 343.309 3.304 20 30 EGEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)[C@H]1CC12CCCC2 ZINC001713551345 1418332228 /nfs/dbraw/zinc/33/22/28/1418332228.db2.gz JVGLVQGNPUGAOQ-CQSZACIVSA-N 1 2 343.309 3.304 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)COc1ccc(Cl)cc1)C1CC1 ZINC001713565656 1418375878 /nfs/dbraw/zinc/37/58/78/1418375878.db2.gz VLHPJZYDEGIPFE-UHFFFAOYSA-N 1 2 343.254 3.052 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)COc1ccc(Cl)cc1)C1CC1 ZINC001713565656 1418375882 /nfs/dbraw/zinc/37/58/82/1418375882.db2.gz VLHPJZYDEGIPFE-UHFFFAOYSA-N 1 2 343.254 3.052 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2c[nH]c3ncccc23)C1 ZINC001713722976 1418498915 /nfs/dbraw/zinc/49/89/15/1418498915.db2.gz YIDLGRTTWSRQST-AWEZNQCLSA-N 1 2 346.862 3.242 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2c[nH]c3ncccc23)C1 ZINC001713722976 1418498918 /nfs/dbraw/zinc/49/89/18/1418498918.db2.gz YIDLGRTTWSRQST-AWEZNQCLSA-N 1 2 346.862 3.242 20 30 EGEDLO C[N@H+](CCNC(=O)CC(C)(C)C1CC1)Cc1cc(C#N)ccc1F ZINC001714540315 1419265811 /nfs/dbraw/zinc/26/58/11/1419265811.db2.gz WIOHEHZFXNJAKE-UHFFFAOYSA-N 1 2 331.435 3.072 20 30 EGEDLO C[N@@H+](CCNC(=O)CC(C)(C)C1CC1)Cc1cc(C#N)ccc1F ZINC001714540315 1419265813 /nfs/dbraw/zinc/26/58/13/1419265813.db2.gz WIOHEHZFXNJAKE-UHFFFAOYSA-N 1 2 331.435 3.072 20 30 EGEDLO C[N@H+](CCNC(=O)C1(c2ccccc2)CCC1)Cc1ccccc1C#N ZINC001714554168 1419282295 /nfs/dbraw/zinc/28/22/95/1419282295.db2.gz XGFUGKHLXRPEKB-UHFFFAOYSA-N 1 2 347.462 3.228 20 30 EGEDLO C[N@@H+](CCNC(=O)C1(c2ccccc2)CCC1)Cc1ccccc1C#N ZINC001714554168 1419282297 /nfs/dbraw/zinc/28/22/97/1419282297.db2.gz XGFUGKHLXRPEKB-UHFFFAOYSA-N 1 2 347.462 3.228 20 30 EGEDLO CCCN(C(=O)C(C)(C)F)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001714852413 1419564999 /nfs/dbraw/zinc/56/49/99/1419564999.db2.gz IYJKOTGYQQLULE-INIZCTEOSA-N 1 2 349.425 3.258 20 30 EGEDLO CCCN(C(=O)C(C)(C)F)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001714852413 1419565002 /nfs/dbraw/zinc/56/50/02/1419565002.db2.gz IYJKOTGYQQLULE-INIZCTEOSA-N 1 2 349.425 3.258 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2ncc(F)cc2F)C1 ZINC001714855475 1419570517 /nfs/dbraw/zinc/57/05/17/1419570517.db2.gz KBDCQSWJUIIRFZ-CYBMUJFWSA-N 1 2 343.805 3.039 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ncc(F)cc2F)C1 ZINC001714855475 1419570519 /nfs/dbraw/zinc/57/05/19/1419570519.db2.gz KBDCQSWJUIIRFZ-CYBMUJFWSA-N 1 2 343.805 3.039 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cccc3nccn32)C1 ZINC001714855894 1419572516 /nfs/dbraw/zinc/57/25/16/1419572516.db2.gz MRVXSKBUXPGGDM-HNNXBMFYSA-N 1 2 346.862 3.013 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cccc3nccn32)C1 ZINC001714855894 1419572519 /nfs/dbraw/zinc/57/25/19/1419572519.db2.gz MRVXSKBUXPGGDM-HNNXBMFYSA-N 1 2 346.862 3.013 20 30 EGEDLO CC[C@@H](CC(C)C)C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001714978882 1419713146 /nfs/dbraw/zinc/71/31/46/1419713146.db2.gz XXPDXOSNTLQDAW-KRWDZBQOSA-N 1 2 345.462 3.318 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCc1ncc(C(C)(C)C)o1 ZINC001715521976 1420208843 /nfs/dbraw/zinc/20/88/43/1420208843.db2.gz ZZKCEXPWOPTOGN-UHFFFAOYSA-N 1 2 341.883 3.047 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCc1ncc(C(C)(C)C)o1 ZINC001715521976 1420208846 /nfs/dbraw/zinc/20/88/46/1420208846.db2.gz ZZKCEXPWOPTOGN-UHFFFAOYSA-N 1 2 341.883 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](C)c1c(F)cccc1F ZINC001715523190 1420210715 /nfs/dbraw/zinc/21/07/15/1420210715.db2.gz IMDMJGBNCSZNSD-GFCCVEGCSA-N 1 2 330.806 3.211 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](C)c1c(F)cccc1F ZINC001715523190 1420210716 /nfs/dbraw/zinc/21/07/16/1420210716.db2.gz IMDMJGBNCSZNSD-GFCCVEGCSA-N 1 2 330.806 3.211 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccccc1OC1CCC1 ZINC001715531221 1420222549 /nfs/dbraw/zinc/22/25/49/1420222549.db2.gz YTTDGSGZFJSYKB-UHFFFAOYSA-N 1 2 336.863 3.374 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccccc1OC1CCC1 ZINC001715531221 1420222551 /nfs/dbraw/zinc/22/25/51/1420222551.db2.gz YTTDGSGZFJSYKB-UHFFFAOYSA-N 1 2 336.863 3.374 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCOc1ccc(C)cc1C ZINC001715842981 1420364856 /nfs/dbraw/zinc/36/48/56/1420364856.db2.gz ZKCJRWOUOMQDDY-UHFFFAOYSA-N 1 2 338.879 3.215 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCOc1ccc(C)cc1C ZINC001715842981 1420364860 /nfs/dbraw/zinc/36/48/60/1420364860.db2.gz ZKCJRWOUOMQDDY-UHFFFAOYSA-N 1 2 338.879 3.215 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cnn(C2CCCC2)c1C ZINC001715982603 1420441297 /nfs/dbraw/zinc/44/12/97/1420441297.db2.gz FLAQAVCWELFRMC-UHFFFAOYSA-N 1 2 338.883 3.063 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cnn(C2CCCC2)c1C ZINC001715982603 1420441298 /nfs/dbraw/zinc/44/12/98/1420441298.db2.gz FLAQAVCWELFRMC-UHFFFAOYSA-N 1 2 338.883 3.063 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCc2cncc(C)c2)[C@@H]1C ZINC001717854939 1421666854 /nfs/dbraw/zinc/66/68/54/1421666854.db2.gz AJRYIVFZMLSQKL-DOTOQJQBSA-N 1 2 335.879 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCc2cncc(C)c2)[C@@H]1C ZINC001717854939 1421666856 /nfs/dbraw/zinc/66/68/56/1421666856.db2.gz AJRYIVFZMLSQKL-DOTOQJQBSA-N 1 2 335.879 3.044 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)[C@H](C)c1ccco1 ZINC001724854919 1425223671 /nfs/dbraw/zinc/22/36/71/1425223671.db2.gz FFUNPCDVBAIQQT-CYBMUJFWSA-N 1 2 343.265 3.072 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)[C@H](C)c1ccco1 ZINC001724854919 1425223676 /nfs/dbraw/zinc/22/36/76/1425223676.db2.gz FFUNPCDVBAIQQT-CYBMUJFWSA-N 1 2 343.265 3.072 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1cccc(C)c1Cl ZINC001725171953 1425682884 /nfs/dbraw/zinc/68/28/84/1425682884.db2.gz CSWSNHHAAATQFF-CYBMUJFWSA-N 1 2 329.271 3.380 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1cccc(C)c1Cl ZINC001725171953 1425682886 /nfs/dbraw/zinc/68/28/86/1425682886.db2.gz CSWSNHHAAATQFF-CYBMUJFWSA-N 1 2 329.271 3.380 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)c1ccc(F)cc1 ZINC001731836946 1428053933 /nfs/dbraw/zinc/05/39/33/1428053933.db2.gz NUNAHAGCCSZTHU-INIZCTEOSA-N 1 2 338.854 3.436 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)c1ccc(F)cc1 ZINC001731836946 1428053934 /nfs/dbraw/zinc/05/39/34/1428053934.db2.gz NUNAHAGCCSZTHU-INIZCTEOSA-N 1 2 338.854 3.436 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccc(C(F)(F)F)nc1)C1CC1 ZINC001731881567 1428152548 /nfs/dbraw/zinc/15/25/48/1428152548.db2.gz RXFPLGLMRDEBRJ-UHFFFAOYSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccc(C(F)(F)F)nc1)C1CC1 ZINC001731881567 1428152551 /nfs/dbraw/zinc/15/25/51/1428152551.db2.gz RXFPLGLMRDEBRJ-UHFFFAOYSA-N 1 2 347.768 3.047 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[C@@H]2C[N@H+](C/C(Cl)=C/Cl)CC[C@H]21 ZINC001752705581 1440202412 /nfs/dbraw/zinc/20/24/12/1440202412.db2.gz LPIZUGRZSMYCDY-LQWWUDNOSA-N 1 2 343.298 3.278 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[C@@H]2C[N@@H+](C/C(Cl)=C/Cl)CC[C@H]21 ZINC001752705581 1440202413 /nfs/dbraw/zinc/20/24/13/1440202413.db2.gz LPIZUGRZSMYCDY-LQWWUDNOSA-N 1 2 343.298 3.278 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001752784362 1440210337 /nfs/dbraw/zinc/21/03/37/1440210337.db2.gz AQMZRQAYJGMUSH-LBPRGKRZSA-N 1 2 341.908 3.337 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001752784362 1440210338 /nfs/dbraw/zinc/21/03/38/1440210338.db2.gz AQMZRQAYJGMUSH-LBPRGKRZSA-N 1 2 341.908 3.337 20 30 EGEDLO CC[N@H+](CCNC(=O)c1cccc(F)c1)Cc1cc(F)ccc1C#N ZINC001753077334 1440292038 /nfs/dbraw/zinc/29/20/38/1440292038.db2.gz PQFMNVUSNKQCLC-UHFFFAOYSA-N 1 2 343.377 3.088 20 30 EGEDLO CC[N@@H+](CCNC(=O)c1cccc(F)c1)Cc1cc(F)ccc1C#N ZINC001753077334 1440292039 /nfs/dbraw/zinc/29/20/39/1440292039.db2.gz PQFMNVUSNKQCLC-UHFFFAOYSA-N 1 2 343.377 3.088 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C1(c2ccccc2F)CC1 ZINC001753112549 1440309235 /nfs/dbraw/zinc/30/92/35/1440309235.db2.gz AVZFIIRLMWLVAB-AWEZNQCLSA-N 1 2 336.838 3.190 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C1(c2ccccc2F)CC1 ZINC001753112549 1440309236 /nfs/dbraw/zinc/30/92/36/1440309236.db2.gz AVZFIIRLMWLVAB-AWEZNQCLSA-N 1 2 336.838 3.190 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccc(Cl)cc1F)C1CC1 ZINC001753157333 1440331484 /nfs/dbraw/zinc/33/14/84/1440331484.db2.gz FWDBJCVCYIADHJ-UHFFFAOYSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccc(Cl)cc1F)C1CC1 ZINC001753157333 1440331485 /nfs/dbraw/zinc/33/14/85/1440331485.db2.gz FWDBJCVCYIADHJ-UHFFFAOYSA-N 1 2 331.218 3.426 20 30 EGEDLO C=CCC1(C(=O)N(C)CC[NH2+][C@H](C)c2nc(CC)no2)CCCCC1 ZINC001753263884 1440344480 /nfs/dbraw/zinc/34/44/80/1440344480.db2.gz AKHFEGFDXFSJHO-OAHLLOKOSA-N 1 2 348.491 3.268 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCC1C[NH+](Cc2cc(O)ccc2Cl)C1 ZINC001753410691 1440393030 /nfs/dbraw/zinc/39/30/30/1440393030.db2.gz NFCHSBJKWCKBQG-ZDUSSCGKSA-N 1 2 336.863 3.196 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001753443187 1440402632 /nfs/dbraw/zinc/40/26/32/1440402632.db2.gz RDJHXDPIMBBSGE-SFHVURJKSA-N 1 2 343.446 3.332 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001753443187 1440402633 /nfs/dbraw/zinc/40/26/33/1440402633.db2.gz RDJHXDPIMBBSGE-SFHVURJKSA-N 1 2 343.446 3.332 20 30 EGEDLO CCN(C(=O)C1(F)CCCC1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001753460689 1440410417 /nfs/dbraw/zinc/41/04/17/1440410417.db2.gz DUZOZTDQXPWKJD-SFHVURJKSA-N 1 2 343.446 3.263 20 30 EGEDLO CCN(C(=O)C1(F)CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001753460689 1440410418 /nfs/dbraw/zinc/41/04/18/1440410418.db2.gz DUZOZTDQXPWKJD-SFHVURJKSA-N 1 2 343.446 3.263 20 30 EGEDLO C=C(C)CCC(=O)N[C@]1(C[NH2+]Cc2noc(CC)n2)CCCC[C@@H]1C ZINC001753533925 1440431841 /nfs/dbraw/zinc/43/18/41/1440431841.db2.gz NEKFVPULCPQNFV-KXBFYZLASA-N 1 2 348.491 3.143 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)c1nc(C(C)C)no1 ZINC001753707177 1440469663 /nfs/dbraw/zinc/46/96/63/1440469663.db2.gz LKQGCFTWSDIUIV-KBPBESRZSA-N 1 2 336.480 3.293 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H](C[NH2+][C@@H](C)c1noc(C)n1)C1CCCCC1 ZINC001753747656 1440481493 /nfs/dbraw/zinc/48/14/93/1440481493.db2.gz WBWRIZIJHRAZTH-BBRMVZONSA-N 1 2 348.491 3.306 20 30 EGEDLO C#CCC1(C(=O)N(CC)CC[NH2+][C@@H](C)c2csnn2)CCCCC1 ZINC001754083925 1440539800 /nfs/dbraw/zinc/53/98/00/1440539800.db2.gz UUDRJBJUSUYDMA-HNNXBMFYSA-N 1 2 348.516 3.011 20 30 EGEDLO C[C@H](C[N@H+](C)Cc1cc(F)ccc1C#N)NC(=O)c1ccoc1Cl ZINC001754308086 1440571915 /nfs/dbraw/zinc/57/19/15/1440571915.db2.gz NBNGWUMEPCQKLH-LLVKDONJSA-N 1 2 349.793 3.194 20 30 EGEDLO C[C@H](C[N@@H+](C)Cc1cc(F)ccc1C#N)NC(=O)c1ccoc1Cl ZINC001754308086 1440571916 /nfs/dbraw/zinc/57/19/16/1440571916.db2.gz NBNGWUMEPCQKLH-LLVKDONJSA-N 1 2 349.793 3.194 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H](C)C[N@H+](C)Cc1cc(F)ccc1C#N ZINC001754329424 1440582586 /nfs/dbraw/zinc/58/25/86/1440582586.db2.gz WRMXVEMTANSQNU-CQSZACIVSA-N 1 2 331.435 3.236 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H](C)C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001754329424 1440582587 /nfs/dbraw/zinc/58/25/87/1440582587.db2.gz WRMXVEMTANSQNU-CQSZACIVSA-N 1 2 331.435 3.236 20 30 EGEDLO CC1CCC(C)(C(=O)NC[C@H]2CC[N@@H+]2CC#Cc2ccccc2)CC1 ZINC001754505187 1440616082 /nfs/dbraw/zinc/61/60/82/1440616082.db2.gz LUSUFXUCVHYWTI-AATLZSDMSA-N 1 2 338.495 3.445 20 30 EGEDLO CC1CCC(C)(C(=O)NC[C@H]2CC[N@H+]2CC#Cc2ccccc2)CC1 ZINC001754505187 1440616083 /nfs/dbraw/zinc/61/60/83/1440616083.db2.gz LUSUFXUCVHYWTI-AATLZSDMSA-N 1 2 338.495 3.445 20 30 EGEDLO C=CCC1(C(=O)NCC2([NH2+][C@H](C)c3nc(CC)no3)CC2)CCCC1 ZINC001754537389 1440624924 /nfs/dbraw/zinc/62/49/24/1440624924.db2.gz WWABSNQTPUKWNV-CQSZACIVSA-N 1 2 346.475 3.068 20 30 EGEDLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@@](C)(NC(=O)C#CC2CC2)C1 ZINC001754669927 1440657647 /nfs/dbraw/zinc/65/76/47/1440657647.db2.gz IPRLFDWHDHMNDE-VBKZILBWSA-N 1 2 343.471 3.027 20 30 EGEDLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@@](C)(NC(=O)C#CC2CC2)C1 ZINC001754669927 1440657648 /nfs/dbraw/zinc/65/76/48/1440657648.db2.gz IPRLFDWHDHMNDE-VBKZILBWSA-N 1 2 343.471 3.027 20 30 EGEDLO C#CCCCCC(=O)N[C@]1(C)CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001754672551 1440658313 /nfs/dbraw/zinc/65/83/13/1440658313.db2.gz KOYWEUGJOGDGLF-GOSISDBHSA-N 1 2 333.863 3.009 20 30 EGEDLO C#CCCCCC(=O)N[C@]1(C)CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001754672551 1440658314 /nfs/dbraw/zinc/65/83/14/1440658314.db2.gz KOYWEUGJOGDGLF-GOSISDBHSA-N 1 2 333.863 3.009 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N[C@@]1(C)CC[N@H+](CC=C(Cl)Cl)C1)OCC ZINC001754674144 1440659180 /nfs/dbraw/zinc/65/91/80/1440659180.db2.gz ODMWKVDCBCAERB-CJNGLKHVSA-N 1 2 349.302 3.257 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N[C@@]1(C)CC[N@@H+](CC=C(Cl)Cl)C1)OCC ZINC001754674144 1440659181 /nfs/dbraw/zinc/65/91/81/1440659181.db2.gz ODMWKVDCBCAERB-CJNGLKHVSA-N 1 2 349.302 3.257 20 30 EGEDLO C#CCCCCCC(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001754677671 1440660753 /nfs/dbraw/zinc/66/07/53/1440660753.db2.gz LRHZYUZWYKKSCG-IBGZPJMESA-N 1 2 347.890 3.399 20 30 EGEDLO C#CCCCCCC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001754677671 1440660754 /nfs/dbraw/zinc/66/07/54/1440660754.db2.gz LRHZYUZWYKKSCG-IBGZPJMESA-N 1 2 347.890 3.399 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@]1(C)CC[N@H+](Cc2noc3c2CCCC3)C1 ZINC001754678988 1440661431 /nfs/dbraw/zinc/66/14/31/1440661431.db2.gz XPPNGRRRPGIFAE-MGPUTAFESA-N 1 2 345.487 3.236 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@]1(C)CC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001754678988 1440661432 /nfs/dbraw/zinc/66/14/32/1440661432.db2.gz XPPNGRRRPGIFAE-MGPUTAFESA-N 1 2 345.487 3.236 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@]1(C)CCC[N@@H+]([C@@H](C)c2nnc(CC)[nH]2)C1 ZINC001754727217 1440676860 /nfs/dbraw/zinc/67/68/60/1440676860.db2.gz KZSLPSHVIGXPIN-HNAYVOBHSA-N 1 2 347.507 3.003 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@]1(C)CCC[N@H+]([C@@H](C)c2nnc(CC)[nH]2)C1 ZINC001754727217 1440676861 /nfs/dbraw/zinc/67/68/61/1440676861.db2.gz KZSLPSHVIGXPIN-HNAYVOBHSA-N 1 2 347.507 3.003 20 30 EGEDLO C=C(C)CCC(=O)NCc1ccc([C@@H](C)[NH2+]Cc2nnc(C)o2)cc1 ZINC001754948095 1440713988 /nfs/dbraw/zinc/71/39/88/1440713988.db2.gz VYEBNCKBTZDXJB-CQSZACIVSA-N 1 2 342.443 3.201 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2nc(CC(C)C)no2)CC1 ZINC001755024821 1440728049 /nfs/dbraw/zinc/72/80/49/1440728049.db2.gz JDONMQFNDVVPRV-MRXNPFEDSA-N 1 2 348.491 3.095 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2nc(CC(C)C)no2)CC1 ZINC001755024821 1440728050 /nfs/dbraw/zinc/72/80/50/1440728050.db2.gz JDONMQFNDVVPRV-MRXNPFEDSA-N 1 2 348.491 3.095 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1sccc1C ZINC001755032277 1440732059 /nfs/dbraw/zinc/73/20/59/1440732059.db2.gz FFPMNZPEYJIGAU-UHFFFAOYSA-N 1 2 345.306 3.359 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1sccc1C ZINC001755032277 1440732060 /nfs/dbraw/zinc/73/20/60/1440732060.db2.gz FFPMNZPEYJIGAU-UHFFFAOYSA-N 1 2 345.306 3.359 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)CCC2CC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001755169259 1440768317 /nfs/dbraw/zinc/76/83/17/1440768317.db2.gz LSSYSBVIVPHTSQ-LIRRHRJNSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)CCC2CC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001755169259 1440768318 /nfs/dbraw/zinc/76/83/18/1440768318.db2.gz LSSYSBVIVPHTSQ-LIRRHRJNSA-N 1 2 343.446 3.357 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@H]1C[N@@H+](C)CC(=C)Br ZINC001755191388 1440774705 /nfs/dbraw/zinc/77/47/05/1440774705.db2.gz KYNBQIBHZMPQOO-HNNXBMFYSA-N 1 2 341.293 3.011 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@H]1C[N@H+](C)CC(=C)Br ZINC001755191388 1440774706 /nfs/dbraw/zinc/77/47/06/1440774706.db2.gz KYNBQIBHZMPQOO-HNNXBMFYSA-N 1 2 341.293 3.011 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)/C=C(\C)CC ZINC001755192480 1440775411 /nfs/dbraw/zinc/77/54/11/1440775411.db2.gz GLPIQNNKQMWCCQ-BRADTZPFSA-N 1 2 329.282 3.174 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)/C=C(\C)CC ZINC001755192480 1440775412 /nfs/dbraw/zinc/77/54/12/1440775412.db2.gz GLPIQNNKQMWCCQ-BRADTZPFSA-N 1 2 329.282 3.174 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ncc(CC)o1 ZINC001755196818 1440777274 /nfs/dbraw/zinc/77/72/74/1440777274.db2.gz CIQNIYZHHKBAMT-HOTGVXAUSA-N 1 2 333.476 3.262 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ncc(CC)o1 ZINC001755196818 1440777275 /nfs/dbraw/zinc/77/72/75/1440777275.db2.gz CIQNIYZHHKBAMT-HOTGVXAUSA-N 1 2 333.476 3.262 20 30 EGEDLO C=CCC1(C(=O)N(C)C[C@H](C)[NH2+][C@@H](C)c2nc(C)no2)CCCCC1 ZINC001755618018 1440889512 /nfs/dbraw/zinc/88/95/12/1440889512.db2.gz HRRZTYSSAXJDLF-GJZGRUSLSA-N 1 2 348.491 3.402 20 30 EGEDLO C=CCC(C)(C)C(=O)N1C[C@H]([NH2+]Cc2nc(C(C)C)no2)C(C)(C)C1 ZINC001755764659 1440915836 /nfs/dbraw/zinc/91/58/36/1440915836.db2.gz XMEIJMWYJJACQC-AWEZNQCLSA-N 1 2 348.491 3.122 20 30 EGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)CCOc2cccc(C)c2)CC1 ZINC001755897684 1440943088 /nfs/dbraw/zinc/94/30/88/1440943088.db2.gz HAGPJEOBLLDZMJ-UHFFFAOYSA-N 1 2 348.874 3.265 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)CCOc2cccc(C)c2)CC1 ZINC001755897684 1440943089 /nfs/dbraw/zinc/94/30/89/1440943089.db2.gz HAGPJEOBLLDZMJ-UHFFFAOYSA-N 1 2 348.874 3.265 20 30 EGEDLO CC(C)c1noc([C@@H](C)[N@@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000052801458 214147239 /nfs/dbraw/zinc/14/72/39/214147239.db2.gz AIEBQVLOTSQQGN-OAHLLOKOSA-N 1 2 339.443 3.338 20 30 EGEDLO CC(C)c1noc([C@@H](C)[N@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000052801458 214147241 /nfs/dbraw/zinc/14/72/41/214147241.db2.gz AIEBQVLOTSQQGN-OAHLLOKOSA-N 1 2 339.443 3.338 20 30 EGEDLO Cc1ncsc1C[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000066564675 215054718 /nfs/dbraw/zinc/05/47/18/215054718.db2.gz QLNCJJOPGRIKRH-UHFFFAOYSA-N 1 2 334.832 3.047 20 30 EGEDLO Cc1ncsc1C[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000066564675 215054719 /nfs/dbraw/zinc/05/47/19/215054719.db2.gz QLNCJJOPGRIKRH-UHFFFAOYSA-N 1 2 334.832 3.047 20 30 EGEDLO Cn1cc(C[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1C#N ZINC000191432073 239107446 /nfs/dbraw/zinc/10/74/46/239107446.db2.gz NTAFKGNSFXUJPE-QGZVFWFLSA-N 1 2 347.365 3.072 20 30 EGEDLO Cn1cc(C[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1C#N ZINC000191432073 239107449 /nfs/dbraw/zinc/10/74/49/239107449.db2.gz NTAFKGNSFXUJPE-QGZVFWFLSA-N 1 2 347.365 3.072 20 30 EGEDLO Cc1cc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c(C)c[nH+]1 ZINC000378353032 169105649 /nfs/dbraw/zinc/10/56/49/169105649.db2.gz DYMBEMKXAVNMQP-UHFFFAOYSA-N 1 2 332.407 3.313 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](c3nc(C)no3)C2)c1C ZINC000069388480 258006041 /nfs/dbraw/zinc/00/60/41/258006041.db2.gz SBGURTWUYTUSPV-MRXNPFEDSA-N 1 2 342.443 3.045 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)c1C ZINC000069388480 258006042 /nfs/dbraw/zinc/00/60/42/258006042.db2.gz SBGURTWUYTUSPV-MRXNPFEDSA-N 1 2 342.443 3.045 20 30 EGEDLO C[N@@H+]1CCO[C@H]([C@@H](Nc2ccc(C#N)cn2)c2ccc(Cl)cc2)C1 ZINC000301904976 258016268 /nfs/dbraw/zinc/01/62/68/258016268.db2.gz YIVGOFWZOUSFFA-WMZOPIPTSA-N 1 2 342.830 3.090 20 30 EGEDLO C[N@H+]1CCO[C@H]([C@@H](Nc2ccc(C#N)cn2)c2ccc(Cl)cc2)C1 ZINC000301904976 258016269 /nfs/dbraw/zinc/01/62/69/258016269.db2.gz YIVGOFWZOUSFFA-WMZOPIPTSA-N 1 2 342.830 3.090 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc(F)c3F)CC2)c(F)c1 ZINC000353475410 141305366 /nfs/dbraw/zinc/30/53/66/141305366.db2.gz YBDIHEJAAVLHTQ-UHFFFAOYSA-N 1 2 331.341 3.298 20 30 EGEDLO Cc1ccc(NC(=O)N2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000174865253 144053396 /nfs/dbraw/zinc/05/33/96/144053396.db2.gz UIQLNLNHGYVACP-UHFFFAOYSA-N 1 2 334.423 3.216 20 30 EGEDLO CS(=O)(=O)C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccccc1 ZINC000187442833 144159020 /nfs/dbraw/zinc/15/90/20/144159020.db2.gz PFWSWDHLQFYXLQ-KRWDZBQOSA-N 1 2 348.855 3.087 20 30 EGEDLO COC(=O)c1ccc([C@@H](C)[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)o1 ZINC000341120837 155171421 /nfs/dbraw/zinc/17/14/21/155171421.db2.gz IQZWMNWRNAMOQP-ACJLOTCBSA-N 1 2 340.379 3.072 20 30 EGEDLO COC(=O)c1ccc([C@@H](C)[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)o1 ZINC000341120837 155171424 /nfs/dbraw/zinc/17/14/24/155171424.db2.gz IQZWMNWRNAMOQP-ACJLOTCBSA-N 1 2 340.379 3.072 20 30 EGEDLO N#Cc1cc(Br)ccc1C[NH2+][C@H](CO)c1ccccc1 ZINC000312540929 154152588 /nfs/dbraw/zinc/15/25/88/154152588.db2.gz WLBPPJNMWONAOH-MRXNPFEDSA-N 1 2 331.213 3.144 20 30 EGEDLO N#Cc1cc(Br)ccc1C[NH2+][C@@H](CO)c1ccccc1 ZINC000312540928 154152715 /nfs/dbraw/zinc/15/27/15/154152715.db2.gz WLBPPJNMWONAOH-INIZCTEOSA-N 1 2 331.213 3.144 20 30 EGEDLO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000336836059 154215881 /nfs/dbraw/zinc/21/58/81/154215881.db2.gz KKSVNQXKDVRBBM-BLLLJJGKSA-N 1 2 337.261 3.446 20 30 EGEDLO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000336836059 154215883 /nfs/dbraw/zinc/21/58/83/154215883.db2.gz KKSVNQXKDVRBBM-BLLLJJGKSA-N 1 2 337.261 3.446 20 30 EGEDLO COc1cccc(N2CC[NH+](Cc3cccc(C#N)c3F)CC2)c1 ZINC000336878174 154227517 /nfs/dbraw/zinc/22/75/17/154227517.db2.gz BTZDYPMKTADMJG-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO N#Cc1cc(Br)ccc1C[NH2+][C@H](CO)c1cccc(F)c1 ZINC000346983583 156230506 /nfs/dbraw/zinc/23/05/06/156230506.db2.gz ZRRPJIVLYHTMBG-MRXNPFEDSA-N 1 2 349.203 3.283 20 30 EGEDLO Cn1ccc([C@@H]([NH2+]Cc2cc(C#N)n(C)c2)c2ccc(Cl)cc2)n1 ZINC000372799777 157386090 /nfs/dbraw/zinc/38/60/90/157386090.db2.gz SCSWSWFGVMMSLV-SFHVURJKSA-N 1 2 339.830 3.163 20 30 EGEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000126448999 162303174 /nfs/dbraw/zinc/30/31/74/162303174.db2.gz DUDKACMIGXFDJF-UHFFFAOYSA-N 1 2 344.418 3.426 20 30 EGEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000126448999 162303176 /nfs/dbraw/zinc/30/31/76/162303176.db2.gz DUDKACMIGXFDJF-UHFFFAOYSA-N 1 2 344.418 3.426 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000126699794 162309543 /nfs/dbraw/zinc/30/95/43/162309543.db2.gz RAAOTRXCJVBRKD-UHFFFAOYSA-N 1 2 337.398 3.045 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000126699794 162309545 /nfs/dbraw/zinc/30/95/45/162309545.db2.gz RAAOTRXCJVBRKD-UHFFFAOYSA-N 1 2 337.398 3.045 20 30 EGEDLO N#Cc1nc(NCc2cccc(-c3[nH]cc[nH+]3)c2)ccc1C(F)(F)F ZINC000337016700 163105793 /nfs/dbraw/zinc/10/57/93/163105793.db2.gz MLUVKSZLEPFDCX-UHFFFAOYSA-N 1 2 343.312 3.396 20 30 EGEDLO N#Cc1cc(C[NH+]2CCN(c3cccc(F)c3F)CC2)ccc1F ZINC000344402982 164170665 /nfs/dbraw/zinc/17/06/65/164170665.db2.gz MOIFBLCSFBYFLZ-UHFFFAOYSA-N 1 2 331.341 3.298 20 30 EGEDLO N#Cc1ccc(NC(=O)c2ccc3[nH+]ccn3c2)cc1Br ZINC000344579767 164191937 /nfs/dbraw/zinc/19/19/37/164191937.db2.gz BNWLVFCPYCNVSK-UHFFFAOYSA-N 1 2 341.168 3.221 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCc2ccc(C#N)cc21 ZINC000355248568 166146305 /nfs/dbraw/zinc/14/63/05/166146305.db2.gz AHWPVXUUERHINE-UHFFFAOYSA-N 1 2 330.391 3.196 20 30 EGEDLO N#Cc1cccc(C2(c3nc(Cc4cn5ccccc5[nH+]4)no3)CC2)c1 ZINC000355656045 166274986 /nfs/dbraw/zinc/27/49/86/166274986.db2.gz RUHINBZPDTUGPS-UHFFFAOYSA-N 1 2 341.374 3.260 20 30 EGEDLO Cc1cccc(CCNc2nc3c(c(C#N)c2C#N)CCCCCC3)[nH+]1 ZINC000359850346 167248889 /nfs/dbraw/zinc/24/88/89/167248889.db2.gz VMNIJEIKDJVECJ-UHFFFAOYSA-N 1 2 345.450 3.264 20 30 EGEDLO C[N@H+](Cc1ccc2ccccc2c1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360342450 167307246 /nfs/dbraw/zinc/30/72/46/167307246.db2.gz MAYMAFLGRDSXJK-FQEVSTJZSA-N 1 2 329.403 3.370 20 30 EGEDLO C[N@@H+](Cc1ccc2ccccc2c1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360342450 167307247 /nfs/dbraw/zinc/30/72/47/167307247.db2.gz MAYMAFLGRDSXJK-FQEVSTJZSA-N 1 2 329.403 3.370 20 30 EGEDLO Cc1nsc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)c1C#N ZINC000366963342 168162296 /nfs/dbraw/zinc/16/22/96/168162296.db2.gz PHNOJRDLCRXXCU-UHFFFAOYSA-N 1 2 349.463 3.325 20 30 EGEDLO N#Cc1ccccc1OC1CCC(Nc2nc[nH+]c(N)c2Cl)CC1 ZINC000434097813 270050622 /nfs/dbraw/zinc/05/06/22/270050622.db2.gz MHZROOMQPYRPST-UHFFFAOYSA-N 1 2 343.818 3.386 20 30 EGEDLO N#Cc1ccccc1OC1CCC(Nc2[nH+]cnc(N)c2Cl)CC1 ZINC000434097813 270050624 /nfs/dbraw/zinc/05/06/24/270050624.db2.gz MHZROOMQPYRPST-UHFFFAOYSA-N 1 2 343.818 3.386 20 30 EGEDLO N#Cc1cccc(S(=O)(=O)Nc2cc[nH+]c(-c3ccccc3)c2)c1 ZINC000479249037 270055526 /nfs/dbraw/zinc/05/55/26/270055526.db2.gz RDWRDSKGLGBZHG-UHFFFAOYSA-N 1 2 335.388 3.421 20 30 EGEDLO N#Cc1ccc(/C=C/C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000491895842 270058168 /nfs/dbraw/zinc/05/81/68/270058168.db2.gz QMILLDZRPYROEY-CMDGGOBGSA-N 1 2 328.375 3.074 20 30 EGEDLO CCC[N@H+](Cc1ncc(C2OCCO2)s1)Cc1ccc(C#N)cc1 ZINC000289025678 266053048 /nfs/dbraw/zinc/05/30/48/266053048.db2.gz GNEWXUAJHAPNLQ-UHFFFAOYSA-N 1 2 343.452 3.472 20 30 EGEDLO CCC[N@@H+](Cc1ncc(C2OCCO2)s1)Cc1ccc(C#N)cc1 ZINC000289025678 266053053 /nfs/dbraw/zinc/05/30/53/266053053.db2.gz GNEWXUAJHAPNLQ-UHFFFAOYSA-N 1 2 343.452 3.472 20 30 EGEDLO CCS[C@H](C)c1noc(C[N@H+](C)CCOc2cccc(C#N)c2)n1 ZINC000178453846 266348079 /nfs/dbraw/zinc/34/80/79/266348079.db2.gz LOXNTTKFFQMTPN-CYBMUJFWSA-N 1 2 346.456 3.266 20 30 EGEDLO CCS[C@H](C)c1noc(C[N@@H+](C)CCOc2cccc(C#N)c2)n1 ZINC000178453846 266348080 /nfs/dbraw/zinc/34/80/80/266348080.db2.gz LOXNTTKFFQMTPN-CYBMUJFWSA-N 1 2 346.456 3.266 20 30 EGEDLO CCc1noc([C@@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)n1 ZINC000285613874 266460378 /nfs/dbraw/zinc/46/03/78/266460378.db2.gz XPGJLGPCDMQECU-GFCCVEGCSA-N 1 2 344.390 3.247 20 30 EGEDLO CC(=O)c1ccc(C#N)c(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000273243271 267004036 /nfs/dbraw/zinc/00/40/36/267004036.db2.gz UQGUEJWEAJXDTA-FQEVSTJZSA-N 1 2 349.434 3.074 20 30 EGEDLO CC(=O)c1ccc(C#N)c(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000273243271 267004039 /nfs/dbraw/zinc/00/40/39/267004039.db2.gz UQGUEJWEAJXDTA-FQEVSTJZSA-N 1 2 349.434 3.074 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000298634154 267137092 /nfs/dbraw/zinc/13/70/92/267137092.db2.gz MRTYDNFPMLHNTQ-YPMHNXCESA-N 1 2 325.334 3.160 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000298634154 267137096 /nfs/dbraw/zinc/13/70/96/267137096.db2.gz MRTYDNFPMLHNTQ-YPMHNXCESA-N 1 2 325.334 3.160 20 30 EGEDLO C[N@H+](Cc1cc(F)cc(F)c1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000444699048 267311756 /nfs/dbraw/zinc/31/17/56/267311756.db2.gz CYCWCYLGBOYWTB-OAHLLOKOSA-N 1 2 347.390 3.135 20 30 EGEDLO C[N@@H+](Cc1cc(F)cc(F)c1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000444699048 267311757 /nfs/dbraw/zinc/31/17/57/267311757.db2.gz CYCWCYLGBOYWTB-OAHLLOKOSA-N 1 2 347.390 3.135 20 30 EGEDLO Cc1cc(N(C)CCCn2cc[nH+]c2)n2c3ccccc3nc2c1C#N ZINC000301717457 267332282 /nfs/dbraw/zinc/33/22/82/267332282.db2.gz YFMRGNSAPGMLJN-UHFFFAOYSA-N 1 2 344.422 3.391 20 30 EGEDLO C[C@H]1CCC[C@]1(C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000448577590 267866832 /nfs/dbraw/zinc/86/68/32/267866832.db2.gz JZDHEFUOIFCYQS-JXFKEZNVSA-N 1 2 325.456 3.029 20 30 EGEDLO Cc1cc(C[NH+]2CCN(c3ncccc3Cl)CC2)ccc1C#N ZINC000488173655 267992609 /nfs/dbraw/zinc/99/26/09/267992609.db2.gz YUVFCXCOPSMOSI-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO Cc1cccc2[nH+]c(CNC(=O)C(C)(C)Cc3ccc(C#N)cc3)cn21 ZINC000455599199 268060255 /nfs/dbraw/zinc/06/02/55/268060255.db2.gz OKAKNKPEWIBQHV-UHFFFAOYSA-N 1 2 346.434 3.400 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(OC3CCC3)CC2)c(C#N)c1C ZINC000419308223 268104387 /nfs/dbraw/zinc/10/43/87/268104387.db2.gz UXHZFZXYYSKWIU-CYBMUJFWSA-N 1 2 345.443 3.129 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)c(Cl)c1 ZINC000439444139 268220411 /nfs/dbraw/zinc/22/04/11/268220411.db2.gz BHBMGRSZMGYGGO-UHFFFAOYSA-N 1 2 336.826 3.406 20 30 EGEDLO N#Cc1cccc(C#N)c1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000302461424 268235332 /nfs/dbraw/zinc/23/53/32/268235332.db2.gz RMHWRZKIAMWPTR-UHFFFAOYSA-N 1 2 336.826 3.406 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420940355 268306273 /nfs/dbraw/zinc/30/62/73/268306273.db2.gz DGEOZXPEZUKXDT-SNVBAGLBSA-N 1 2 331.363 3.223 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420940355 268306274 /nfs/dbraw/zinc/30/62/74/268306274.db2.gz DGEOZXPEZUKXDT-SNVBAGLBSA-N 1 2 331.363 3.223 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433058797 268306408 /nfs/dbraw/zinc/30/64/08/268306408.db2.gz LGVZETHVXBPHED-INIZCTEOSA-N 1 2 325.437 3.438 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433058797 268306409 /nfs/dbraw/zinc/30/64/09/268306409.db2.gz LGVZETHVXBPHED-INIZCTEOSA-N 1 2 325.437 3.438 20 30 EGEDLO CCN1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000530375144 269656256 /nfs/dbraw/zinc/65/62/56/269656256.db2.gz RCAMXZCESWWABY-OAHLLOKOSA-N 1 2 349.360 3.183 20 30 EGEDLO C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060479992 307351359 /nfs/dbraw/zinc/35/13/59/307351359.db2.gz BZQHJTFBQFVYNV-ZDUSSCGKSA-N 1 2 328.366 3.115 20 30 EGEDLO N#Cc1ccc(NC(=O)NCc2[nH+]ccn2CCc2ccccc2)cc1 ZINC000081541309 307440528 /nfs/dbraw/zinc/44/05/28/307440528.db2.gz WHDIGUDTFKUMKM-UHFFFAOYSA-N 1 2 345.406 3.319 20 30 EGEDLO COC(=O)[C@H]([NH2+]CC1(C)Cc2ccccc2C1)c1cccc(C#N)c1 ZINC000093899854 307469229 /nfs/dbraw/zinc/46/92/29/307469229.db2.gz KUXCFPQTZFTECX-LJQANCHMSA-N 1 2 334.419 3.167 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)c1C#N ZINC000535207145 314033062 /nfs/dbraw/zinc/03/30/62/314033062.db2.gz QFLLYFOIJXBFQJ-IBGZPJMESA-N 1 2 335.407 3.385 20 30 EGEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)c1C#N ZINC000535207145 314033065 /nfs/dbraw/zinc/03/30/65/314033065.db2.gz QFLLYFOIJXBFQJ-IBGZPJMESA-N 1 2 335.407 3.385 20 30 EGEDLO C#CCCCCC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273902877 456247547 /nfs/dbraw/zinc/24/75/47/456247547.db2.gz HIKAGMKXWPTSMI-UHFFFAOYSA-N 1 2 348.244 3.215 20 30 EGEDLO C[C@H](CCC#N)[N@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000298351211 456433761 /nfs/dbraw/zinc/43/37/61/456433761.db2.gz BXABNQDBSLRICQ-GFCCVEGCSA-N 1 2 348.248 3.154 20 30 EGEDLO C[C@H](CCC#N)[N@@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000298351211 456433770 /nfs/dbraw/zinc/43/37/70/456433770.db2.gz BXABNQDBSLRICQ-GFCCVEGCSA-N 1 2 348.248 3.154 20 30 EGEDLO N#Cc1nc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)ccc1Cl ZINC000264548980 455234635 /nfs/dbraw/zinc/23/46/35/455234635.db2.gz WJACRZMRVQPBHL-KRWDZBQOSA-N 1 2 342.830 3.092 20 30 EGEDLO C[C@]1(C#N)CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000612166330 460559151 /nfs/dbraw/zinc/55/91/51/460559151.db2.gz CCGWJYVEYNBYQE-CZUORRHYSA-N 1 2 343.254 3.359 20 30 EGEDLO C[C@]1(C#N)CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000612166330 460559159 /nfs/dbraw/zinc/55/91/59/460559159.db2.gz CCGWJYVEYNBYQE-CZUORRHYSA-N 1 2 343.254 3.359 20 30 EGEDLO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612166915 460559175 /nfs/dbraw/zinc/55/91/75/460559175.db2.gz FUFLZMXSLGNDBD-IIDMSEBBSA-N 1 2 331.485 3.426 20 30 EGEDLO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612166915 460559180 /nfs/dbraw/zinc/55/91/80/460559180.db2.gz FUFLZMXSLGNDBD-IIDMSEBBSA-N 1 2 331.485 3.426 20 30 EGEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1cccc(F)c1 ZINC000007791659 453116547 /nfs/dbraw/zinc/11/65/47/453116547.db2.gz UPNIJSCRIJYOKY-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1cccc(F)c1 ZINC000007791659 453116555 /nfs/dbraw/zinc/11/65/55/453116555.db2.gz UPNIJSCRIJYOKY-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C(=O)OC)c1)Cc1cccs1 ZINC000025800003 453786657 /nfs/dbraw/zinc/78/66/57/453786657.db2.gz BLZZQKGAROIMRB-UHFFFAOYSA-N 1 2 344.436 3.161 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1cccc(C(=O)OC)c1)Cc1cccs1 ZINC000025800003 453786659 /nfs/dbraw/zinc/78/66/59/453786659.db2.gz BLZZQKGAROIMRB-UHFFFAOYSA-N 1 2 344.436 3.161 20 30 EGEDLO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cccc(C#N)c1 ZINC000026324493 453796309 /nfs/dbraw/zinc/79/63/09/453796309.db2.gz UEMDGILSXCHQGS-UHFFFAOYSA-N 1 2 338.798 3.154 20 30 EGEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cccc(C#N)c1 ZINC000026324493 453796311 /nfs/dbraw/zinc/79/63/11/453796311.db2.gz UEMDGILSXCHQGS-UHFFFAOYSA-N 1 2 338.798 3.154 20 30 EGEDLO N#Cc1ccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000031089510 453838110 /nfs/dbraw/zinc/83/81/10/453838110.db2.gz TVMUQAFCFNBFHD-UHFFFAOYSA-N 1 2 331.379 3.125 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)Cc2ccc3c(c2)OCO3)c1C ZINC000052662573 453841768 /nfs/dbraw/zinc/84/17/68/453841768.db2.gz CMLBGHVDCWZCDI-UHFFFAOYSA-N 1 2 340.423 3.334 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)Cc2ccc3c(c2)OCO3)c1C ZINC000052662573 453841771 /nfs/dbraw/zinc/84/17/71/453841771.db2.gz CMLBGHVDCWZCDI-UHFFFAOYSA-N 1 2 340.423 3.334 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000181738412 455377205 /nfs/dbraw/zinc/37/72/05/455377205.db2.gz UKNNMQRRPHAVJC-BDJLRTHQSA-N 1 2 325.815 3.184 20 30 EGEDLO N#Cc1cccc(OCC[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC000066849596 453879442 /nfs/dbraw/zinc/87/94/42/453879442.db2.gz QJDLIWOJTPEMND-IBGZPJMESA-N 1 2 344.361 3.289 20 30 EGEDLO N#Cc1cccc(OCC[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC000066849596 453879445 /nfs/dbraw/zinc/87/94/45/453879445.db2.gz QJDLIWOJTPEMND-IBGZPJMESA-N 1 2 344.361 3.289 20 30 EGEDLO N#Cc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000067657878 453953794 /nfs/dbraw/zinc/95/37/94/453953794.db2.gz MVGLHJXHALMDHM-SFHVURJKSA-N 1 2 337.448 3.287 20 30 EGEDLO N#Cc1cccc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)c1 ZINC000042104065 453994296 /nfs/dbraw/zinc/99/42/96/453994296.db2.gz NYHKFCAQDGBDRV-UHFFFAOYSA-N 1 2 326.363 3.299 20 30 EGEDLO CCO[C@@H](C)c1noc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000076723383 454030490 /nfs/dbraw/zinc/03/04/90/454030490.db2.gz WNDZPIOJYIQEME-AWEZNQCLSA-N 1 2 328.416 3.449 20 30 EGEDLO CCO[C@@H](C)c1noc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000076723383 454030492 /nfs/dbraw/zinc/03/04/92/454030492.db2.gz WNDZPIOJYIQEME-AWEZNQCLSA-N 1 2 328.416 3.449 20 30 EGEDLO C[C@@H](c1ccco1)[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1CC1 ZINC000086232979 454044718 /nfs/dbraw/zinc/04/47/18/454044718.db2.gz ZUQMEGGDMFOZSL-HNNXBMFYSA-N 1 2 329.444 3.490 20 30 EGEDLO C[C@@H](c1ccco1)[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1CC1 ZINC000086232979 454044720 /nfs/dbraw/zinc/04/47/20/454044720.db2.gz ZUQMEGGDMFOZSL-HNNXBMFYSA-N 1 2 329.444 3.490 20 30 EGEDLO Cn1c2cc(F)ccc2[nH+]c1CCNc1ncc(C#N)cc1Cl ZINC000077209607 454075330 /nfs/dbraw/zinc/07/53/30/454075330.db2.gz CSLMFVJIRBYPFN-UHFFFAOYSA-N 1 2 329.766 3.287 20 30 EGEDLO N#Cc1c(F)cccc1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000044724865 454116449 /nfs/dbraw/zinc/11/64/49/454116449.db2.gz IXQGEFVBLYCJRB-LJQANCHMSA-N 1 2 325.387 3.183 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)/C=C\c1cccc(C#N)c1 ZINC000057346117 454120818 /nfs/dbraw/zinc/12/08/18/454120818.db2.gz RKKJAZVXSLBBKT-KHPPLWFESA-N 1 2 344.418 3.436 20 30 EGEDLO N#Cc1c(F)cccc1Nc1ccc([NH+]2CCC(C(N)=O)CC2)cc1 ZINC000069627709 454126840 /nfs/dbraw/zinc/12/68/40/454126840.db2.gz FATHPCIGKUOYFC-UHFFFAOYSA-N 1 2 338.386 3.143 20 30 EGEDLO CCCCS[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000057422570 454127269 /nfs/dbraw/zinc/12/72/69/454127269.db2.gz UPBGPDKJXULPRR-MRXNPFEDSA-N 1 2 345.512 3.124 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000094169096 454191871 /nfs/dbraw/zinc/19/18/71/454191871.db2.gz ZNQPMTNLJVVHBM-CQSZACIVSA-N 1 2 326.831 3.490 20 30 EGEDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2c(Cl)cccc2C#N)CC1 ZINC000078261661 454219520 /nfs/dbraw/zinc/21/95/20/454219520.db2.gz GGTXGMFCEQOOII-AWEZNQCLSA-N 1 2 326.831 3.490 20 30 EGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cccc(C#N)c2)C[C@@H](C)O1 ZINC000046340973 454241354 /nfs/dbraw/zinc/24/13/54/454241354.db2.gz GZBJYVPZWZSXLK-HZPDHXFCSA-N 1 2 349.434 3.420 20 30 EGEDLO C=CC[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)Cc1ccc(OC)cc1 ZINC000059423193 454260488 /nfs/dbraw/zinc/26/04/88/454260488.db2.gz QPNNGAATTPAZEW-VQIMIIECSA-N 1 2 330.472 3.378 20 30 EGEDLO C=CC[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)Cc1ccc(OC)cc1 ZINC000059423193 454260491 /nfs/dbraw/zinc/26/04/91/454260491.db2.gz QPNNGAATTPAZEW-VQIMIIECSA-N 1 2 330.472 3.378 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1nc2ccccc2s1 ZINC000078644943 454291345 /nfs/dbraw/zinc/29/13/45/454291345.db2.gz ABMZKCFFOIYCOV-AWEZNQCLSA-N 1 2 329.469 3.317 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000078644943 454291351 /nfs/dbraw/zinc/29/13/51/454291351.db2.gz ABMZKCFFOIYCOV-AWEZNQCLSA-N 1 2 329.469 3.317 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 ZINC000072483020 454295908 /nfs/dbraw/zinc/29/59/08/454295908.db2.gz HRGSFSZAAZDPRJ-GOSISDBHSA-N 1 2 345.406 3.397 20 30 EGEDLO N#CC1CC[NH+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000060893729 454319496 /nfs/dbraw/zinc/31/94/96/454319496.db2.gz ZJESMQBZKBXFFF-UHFFFAOYSA-N 1 2 349.434 3.440 20 30 EGEDLO C=CC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1cccs1 ZINC000060942819 454321931 /nfs/dbraw/zinc/32/19/31/454321931.db2.gz PMQAAUQCYBZINJ-UHFFFAOYSA-N 1 2 331.485 3.421 20 30 EGEDLO C=CC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1cccs1 ZINC000060942819 454321934 /nfs/dbraw/zinc/32/19/34/454321934.db2.gz PMQAAUQCYBZINJ-UHFFFAOYSA-N 1 2 331.485 3.421 20 30 EGEDLO C=CCN(CCc1ccccc1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000062475196 454377792 /nfs/dbraw/zinc/37/77/92/454377792.db2.gz WMKOZCVSAFHBSN-UHFFFAOYSA-N 1 2 334.423 3.275 20 30 EGEDLO N#Cc1ccc(NCc2ccc(Cn3cc[nH+]c3)cc2)c([N+](=O)[O-])c1 ZINC000047537818 454383069 /nfs/dbraw/zinc/38/30/69/454383069.db2.gz JBNJEGJXTFHQNM-UHFFFAOYSA-N 1 2 333.351 3.323 20 30 EGEDLO C=CCc1cc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc(OC)c1O ZINC000121208749 454405837 /nfs/dbraw/zinc/40/58/37/454405837.db2.gz JUASPTDWPBUSDR-MRXNPFEDSA-N 1 2 327.428 3.232 20 30 EGEDLO C=CCc1cc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc(OC)c1O ZINC000121208749 454405839 /nfs/dbraw/zinc/40/58/39/454405839.db2.gz JUASPTDWPBUSDR-MRXNPFEDSA-N 1 2 327.428 3.232 20 30 EGEDLO C=CCOCCCC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000079591247 454446249 /nfs/dbraw/zinc/44/62/49/454446249.db2.gz NRGCDGKMGYFZHV-UHFFFAOYSA-N 1 2 331.460 3.061 20 30 EGEDLO N#CCCN(C(=O)CCCn1cc[nH+]c1)C12CC3CC(CC(C3)C1)C2 ZINC000133695819 454456251 /nfs/dbraw/zinc/45/62/51/454456251.db2.gz LDSMINPVLSESAD-UHFFFAOYSA-N 1 2 340.471 3.374 20 30 EGEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000103139571 454539551 /nfs/dbraw/zinc/53/95/51/454539551.db2.gz ZNNBMRSXMNTTDM-UHFFFAOYSA-N 1 2 338.382 3.498 20 30 EGEDLO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000123027660 454593823 /nfs/dbraw/zinc/59/38/23/454593823.db2.gz WYKBXBSVFFHZHQ-UHFFFAOYSA-N 1 2 333.407 3.140 20 30 EGEDLO CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000123027660 454593828 /nfs/dbraw/zinc/59/38/28/454593828.db2.gz WYKBXBSVFFHZHQ-UHFFFAOYSA-N 1 2 333.407 3.140 20 30 EGEDLO CCOC(=O)C[N@H+](CCOc1ccccc1C#N)Cc1ccccc1 ZINC000065684195 454610607 /nfs/dbraw/zinc/61/06/07/454610607.db2.gz ACHHNQIMMOOLKA-UHFFFAOYSA-N 1 2 338.407 3.002 20 30 EGEDLO CCOC(=O)C[N@@H+](CCOc1ccccc1C#N)Cc1ccccc1 ZINC000065684195 454610611 /nfs/dbraw/zinc/61/06/11/454610611.db2.gz ACHHNQIMMOOLKA-UHFFFAOYSA-N 1 2 338.407 3.002 20 30 EGEDLO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc1Cl ZINC000093420174 454715636 /nfs/dbraw/zinc/71/56/36/454715636.db2.gz YETWEKPHJLZJKH-STQMWFEESA-N 1 2 345.892 3.158 20 30 EGEDLO C=CCOc1ccc(C[N@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc1Cl ZINC000093420174 454715641 /nfs/dbraw/zinc/71/56/41/454715641.db2.gz YETWEKPHJLZJKH-STQMWFEESA-N 1 2 345.892 3.158 20 30 EGEDLO COc1ccc(CNc2[nH+]cccc2OCCCC#N)c(OC)c1 ZINC000162262537 454763466 /nfs/dbraw/zinc/76/34/66/454763466.db2.gz ABLKZSBDYSWCGL-UHFFFAOYSA-N 1 2 327.384 3.393 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000125108576 454797283 /nfs/dbraw/zinc/79/72/83/454797283.db2.gz QPDQREKTNXUCMD-KGLIPLIRSA-N 1 2 349.525 3.314 20 30 EGEDLO Oc1ccc(N2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)cc1 ZINC000176978719 454807210 /nfs/dbraw/zinc/80/72/10/454807210.db2.gz JKRHWAHZVZCKAE-UHFFFAOYSA-N 1 2 326.827 3.219 20 30 EGEDLO Cc1ncc(C[N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)s1 ZINC000177034160 454814182 /nfs/dbraw/zinc/81/41/82/454814182.db2.gz GKHRKXWNXKOGNP-UHFFFAOYSA-N 1 2 334.470 3.072 20 30 EGEDLO Cc1ncc(C[N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)s1 ZINC000177034160 454814186 /nfs/dbraw/zinc/81/41/86/454814186.db2.gz GKHRKXWNXKOGNP-UHFFFAOYSA-N 1 2 334.470 3.072 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)Cc2ccc(O)c(OC)c2)c1C ZINC000177055017 454817117 /nfs/dbraw/zinc/81/71/17/454817117.db2.gz GEMGOAUPDDOZPG-UHFFFAOYSA-N 1 2 342.439 3.320 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)Cc2ccc(O)c(OC)c2)c1C ZINC000177055017 454817121 /nfs/dbraw/zinc/81/71/21/454817121.db2.gz GEMGOAUPDDOZPG-UHFFFAOYSA-N 1 2 342.439 3.320 20 30 EGEDLO C[C@H](C#N)NC(=O)c1ccc(SCc2cn3ccccc3[nH+]2)cc1 ZINC000125510804 454828176 /nfs/dbraw/zinc/82/81/76/454828176.db2.gz MVBXPEVVUHXWEW-CYBMUJFWSA-N 1 2 336.420 3.268 20 30 EGEDLO C[C@H](c1ccccn1)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000177248995 454842435 /nfs/dbraw/zinc/84/24/35/454842435.db2.gz OZZZMOUGYNLPMP-CQSZACIVSA-N 1 2 349.394 3.084 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000177288140 454846997 /nfs/dbraw/zinc/84/69/97/454846997.db2.gz XWELZMRLPDGGEY-UHFFFAOYSA-N 1 2 347.462 3.225 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000177288140 454847000 /nfs/dbraw/zinc/84/70/00/454847000.db2.gz XWELZMRLPDGGEY-UHFFFAOYSA-N 1 2 347.462 3.225 20 30 EGEDLO CC[N@H+](Cc1cccc(Cl)c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000154032446 454858767 /nfs/dbraw/zinc/85/87/67/454858767.db2.gz ZMRGBSRQNTXFSS-QGZVFWFLSA-N 1 2 327.815 3.260 20 30 EGEDLO CC[N@@H+](Cc1cccc(Cl)c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000154032446 454858771 /nfs/dbraw/zinc/85/87/71/454858771.db2.gz ZMRGBSRQNTXFSS-QGZVFWFLSA-N 1 2 327.815 3.260 20 30 EGEDLO CCc1nnc([C@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)o1 ZINC000111226379 454859246 /nfs/dbraw/zinc/85/92/46/454859246.db2.gz NLYROKOSJGCLKV-ZDUSSCGKSA-N 1 2 326.400 3.108 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccs3)CC2)s1 ZINC000126034279 454865114 /nfs/dbraw/zinc/86/51/14/454865114.db2.gz DDBCKYPPTQXAGJ-UHFFFAOYSA-N 1 2 331.466 3.029 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccs3)CC2)s1 ZINC000126034279 454865116 /nfs/dbraw/zinc/86/51/16/454865116.db2.gz DDBCKYPPTQXAGJ-UHFFFAOYSA-N 1 2 331.466 3.029 20 30 EGEDLO Cc1cnc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)s1 ZINC000184995144 455484059 /nfs/dbraw/zinc/48/40/59/455484059.db2.gz QIAHBQDTVYCVPX-QWRGUYRKSA-N 1 2 332.429 3.211 20 30 EGEDLO C[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)C[C@@H](c2ccsc2)O1 ZINC000246411534 455485447 /nfs/dbraw/zinc/48/54/47/455485447.db2.gz JICWARXBAKKIKJ-KDOFPFPSSA-N 1 2 328.437 3.461 20 30 EGEDLO C[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)C[C@@H](c2ccsc2)O1 ZINC000246411534 455485448 /nfs/dbraw/zinc/48/54/48/455485448.db2.gz JICWARXBAKKIKJ-KDOFPFPSSA-N 1 2 328.437 3.461 20 30 EGEDLO C#CCOc1ccc(C[NH2+][C@H](c2nc(C3CC3)no2)C(C)C)cc1 ZINC000113357117 454924395 /nfs/dbraw/zinc/92/43/95/454924395.db2.gz MQMOFSCMKXMWAT-KRWDZBQOSA-N 1 2 325.412 3.446 20 30 EGEDLO CC(C)c1ncc(C[NH+]2CCN(c3ccccc3C#N)CC2)s1 ZINC000126918577 454926435 /nfs/dbraw/zinc/92/64/35/454926435.db2.gz UGORKRSMQRDIMC-UHFFFAOYSA-N 1 2 326.469 3.460 20 30 EGEDLO CC[C@@H](C#N)Sc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000126998808 454931418 /nfs/dbraw/zinc/93/14/18/454931418.db2.gz XMQJKLGKAGXSRK-FZMZJTMJSA-N 1 2 333.436 3.423 20 30 EGEDLO C#CCOc1ccc(CNc2ccc([NH+]3CCC(O)CC3)cc2)cc1 ZINC000114762650 454977459 /nfs/dbraw/zinc/97/74/59/454977459.db2.gz SPGITGLFMSPDCI-UHFFFAOYSA-N 1 2 336.435 3.272 20 30 EGEDLO O=C(c1ccsc1)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000178919893 454990111 /nfs/dbraw/zinc/99/01/11/454990111.db2.gz PGAAFCLVQGYWMM-UHFFFAOYSA-N 1 2 342.439 3.087 20 30 EGEDLO O=C(c1ccsc1)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000178919893 454990112 /nfs/dbraw/zinc/99/01/12/454990112.db2.gz PGAAFCLVQGYWMM-UHFFFAOYSA-N 1 2 342.439 3.087 20 30 EGEDLO COCCN(C)c1ccc(CNc2ccccc2O[C@H](C)C#N)c[nH+]1 ZINC000191576063 455498813 /nfs/dbraw/zinc/49/88/13/455498813.db2.gz JHPVIHMMAWVYEN-OAHLLOKOSA-N 1 2 340.427 3.067 20 30 EGEDLO Cc1ccc(CC(=O)N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000118396456 455104641 /nfs/dbraw/zinc/10/46/41/455104641.db2.gz DCCFYFCECAWZSJ-GOSISDBHSA-N 1 2 347.462 3.315 20 30 EGEDLO CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000152379133 455109240 /nfs/dbraw/zinc/10/92/40/455109240.db2.gz NENASWRKXZXOAU-CRAIPNDOSA-N 1 2 336.439 3.124 20 30 EGEDLO C=C(C)C[N@@H+](CC)[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000152531369 455132539 /nfs/dbraw/zinc/13/25/39/455132539.db2.gz XTDJDTDWKHORKO-CYBMUJFWSA-N 1 2 329.213 3.013 20 30 EGEDLO C=C(C)C[N@H+](CC)[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000152531369 455132544 /nfs/dbraw/zinc/13/25/44/455132544.db2.gz XTDJDTDWKHORKO-CYBMUJFWSA-N 1 2 329.213 3.013 20 30 EGEDLO Cc1ccc(C#N)cc1NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000172216005 455135404 /nfs/dbraw/zinc/13/54/04/455135404.db2.gz VTSPIOWBGJQMMW-MRXNPFEDSA-N 1 2 349.438 3.172 20 30 EGEDLO N#CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CCCC1 ZINC000156689204 455144706 /nfs/dbraw/zinc/14/47/06/455144706.db2.gz KDWNPBABHAUUPJ-UHFFFAOYSA-N 1 2 342.468 3.205 20 30 EGEDLO N#CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CCCC1 ZINC000156689204 455144708 /nfs/dbraw/zinc/14/47/08/455144708.db2.gz KDWNPBABHAUUPJ-UHFFFAOYSA-N 1 2 342.468 3.205 20 30 EGEDLO Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000172396071 455151162 /nfs/dbraw/zinc/15/11/62/455151162.db2.gz OQQIJOURFGKFDR-KRWDZBQOSA-N 1 2 333.435 3.386 20 30 EGEDLO C=CCCC[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000180389322 455163093 /nfs/dbraw/zinc/16/30/93/455163093.db2.gz VWHVJQNNFCWCTN-KRWDZBQOSA-N 1 2 345.487 3.063 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180511200 455186432 /nfs/dbraw/zinc/18/64/32/455186432.db2.gz TXLYMRGJZOFHFC-LBPRGKRZSA-N 1 2 328.378 3.349 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180511200 455186433 /nfs/dbraw/zinc/18/64/33/455186433.db2.gz TXLYMRGJZOFHFC-LBPRGKRZSA-N 1 2 328.378 3.349 20 30 EGEDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(C[C@H](C#N)CCC#N)CC1 ZINC000264162409 455193498 /nfs/dbraw/zinc/19/34/98/455193498.db2.gz WIMXEAZTQUBYBD-CABCVRRESA-N 1 2 332.398 3.087 20 30 EGEDLO CCC[N@H+](Cc1cn(Cc2cccnc2)nn1)Cc1ccc(C#N)cc1 ZINC000182997037 455206305 /nfs/dbraw/zinc/20/63/05/455206305.db2.gz FYDZUSSBNWHPCA-UHFFFAOYSA-N 1 2 346.438 3.005 20 30 EGEDLO CCC[N@@H+](Cc1cn(Cc2cccnc2)nn1)Cc1ccc(C#N)cc1 ZINC000182997037 455206311 /nfs/dbraw/zinc/20/63/11/455206311.db2.gz FYDZUSSBNWHPCA-UHFFFAOYSA-N 1 2 346.438 3.005 20 30 EGEDLO CS(=O)(=O)C[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccccc1 ZINC000181775823 455381829 /nfs/dbraw/zinc/38/18/29/455381829.db2.gz DHUGABCSBHGXSM-SFHVURJKSA-N 1 2 347.867 3.067 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1nc(C2CCCCC2)no1 ZINC000185264718 455530842 /nfs/dbraw/zinc/53/08/42/455530842.db2.gz AVFOANPTBNEBIE-CABCVRRESA-N 1 2 346.475 3.357 20 30 EGEDLO N#Cc1cccc(-c2csc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)n2)c1 ZINC000161105716 455533961 /nfs/dbraw/zinc/53/39/61/455533961.db2.gz XWIWWQIREQLDJJ-AWEZNQCLSA-N 1 2 349.419 3.079 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC=C(COC)CC1 ZINC000185832032 455631433 /nfs/dbraw/zinc/63/14/33/455631433.db2.gz ZSTJLHKNYYUTHB-UHFFFAOYSA-N 1 2 332.469 3.182 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC=C(COC)CC1 ZINC000185832032 455631435 /nfs/dbraw/zinc/63/14/35/455631435.db2.gz ZSTJLHKNYYUTHB-UHFFFAOYSA-N 1 2 332.469 3.182 20 30 EGEDLO C=CCCS(=O)(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000284573254 455708232 /nfs/dbraw/zinc/70/82/32/455708232.db2.gz GOZUREBQTKIFRW-UHFFFAOYSA-N 1 2 332.425 3.171 20 30 EGEDLO CCN(CCC#N)Cc1cc(C[N@H+](CC)CCC#N)cc(OC)c1 ZINC000292656575 455723836 /nfs/dbraw/zinc/72/38/36/455723836.db2.gz PNVWKVDVTGUQJU-UHFFFAOYSA-N 1 2 328.460 3.166 20 30 EGEDLO CCN(CCC#N)Cc1cc(C[N@@H+](CC)CCC#N)cc(OC)c1 ZINC000292656575 455723838 /nfs/dbraw/zinc/72/38/38/455723838.db2.gz PNVWKVDVTGUQJU-UHFFFAOYSA-N 1 2 328.460 3.166 20 30 EGEDLO COc1ccc2[nH+]c(C)cc(OCC(=O)Nc3ccc(C#N)cc3)c2c1 ZINC000192976739 455730060 /nfs/dbraw/zinc/73/00/60/455730060.db2.gz KNMHPIMQPRGDAH-UHFFFAOYSA-N 1 2 347.374 3.441 20 30 EGEDLO C=CCN(CCC#N)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000292848119 455764065 /nfs/dbraw/zinc/76/40/65/455764065.db2.gz FUFMGMOGEXHQQV-INIZCTEOSA-N 1 2 342.443 3.013 20 30 EGEDLO CC(C)(C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cc(F)cc(C#N)c1 ZINC000285405564 455838862 /nfs/dbraw/zinc/83/88/62/455838862.db2.gz UHUUSJBGBUUPQT-AWEZNQCLSA-N 1 2 340.402 3.104 20 30 EGEDLO C=CCOc1ccc(CC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000295203392 455842408 /nfs/dbraw/zinc/84/24/08/455842408.db2.gz WIGOXSWSVVXQNV-QFBILLFUSA-N 1 2 339.439 3.100 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccccn2)c1 ZINC000295236031 455843513 /nfs/dbraw/zinc/84/35/13/455843513.db2.gz XOPRWRAPLHJCTR-UHFFFAOYSA-N 1 2 336.439 3.077 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccccn2)c1 ZINC000295236031 455843522 /nfs/dbraw/zinc/84/35/22/455843522.db2.gz XOPRWRAPLHJCTR-UHFFFAOYSA-N 1 2 336.439 3.077 20 30 EGEDLO N#Cc1sc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)nc1Cl ZINC000278777831 455848753 /nfs/dbraw/zinc/84/87/53/455848753.db2.gz VOEOQCFBHQBPHA-CYBMUJFWSA-N 1 2 348.859 3.154 20 30 EGEDLO N#C[C@H](Sc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)C1CC1 ZINC000601069407 460697648 /nfs/dbraw/zinc/69/76/48/460697648.db2.gz IJCJABFXFURYTP-INIZCTEOSA-N 1 2 339.468 3.257 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1)OCC ZINC000270069703 455871164 /nfs/dbraw/zinc/87/11/64/455871164.db2.gz XCCCAZAVKVUXPM-AEFFLSMTSA-N 1 2 345.418 3.136 20 30 EGEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC=C(c2cccc(Cl)c2)CC1)C1CC1 ZINC000280240324 455925355 /nfs/dbraw/zinc/92/53/55/455925355.db2.gz NFQCSMCPWGEBOK-LJQANCHMSA-N 1 2 343.858 3.238 20 30 EGEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC=C(c2cccc(Cl)c2)CC1)C1CC1 ZINC000280240324 455925360 /nfs/dbraw/zinc/92/53/60/455925360.db2.gz NFQCSMCPWGEBOK-LJQANCHMSA-N 1 2 343.858 3.238 20 30 EGEDLO N#Cc1c(F)cccc1NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000198223275 456001365 /nfs/dbraw/zinc/00/13/65/456001365.db2.gz KFFJKODLZRIJRP-MRXNPFEDSA-N 1 2 331.416 3.244 20 30 EGEDLO C#CCOc1cccc(NC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)c1 ZINC000296765055 456031896 /nfs/dbraw/zinc/03/18/96/456031896.db2.gz VDFRQLFGOKEGEW-MRXNPFEDSA-N 1 2 338.411 3.047 20 30 EGEDLO CC(=O)N1CC[N@H+](Cc2cc(C#N)ccc2F)CC12CCCCC2 ZINC000270870106 456056675 /nfs/dbraw/zinc/05/66/75/456056675.db2.gz LLRSCBNGUGPOBB-UHFFFAOYSA-N 1 2 329.419 3.064 20 30 EGEDLO CC(=O)N1CC[N@@H+](Cc2cc(C#N)ccc2F)CC12CCCCC2 ZINC000270870106 456056681 /nfs/dbraw/zinc/05/66/81/456056681.db2.gz LLRSCBNGUGPOBB-UHFFFAOYSA-N 1 2 329.419 3.064 20 30 EGEDLO N#Cc1cc(NC[C@@H](c2cccc(Cl)c2)[NH+]2CCOCC2)ccn1 ZINC000287950474 456083530 /nfs/dbraw/zinc/08/35/30/456083530.db2.gz QLKXRNCETCYJDW-SFHVURJKSA-N 1 2 342.830 3.092 20 30 EGEDLO COc1ccc(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)cc1F ZINC000301333404 456092809 /nfs/dbraw/zinc/09/28/09/456092809.db2.gz BWVXGXGEISQJJZ-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO Cc1cc(C#N)ccc1C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000332652681 456105624 /nfs/dbraw/zinc/10/56/24/456105624.db2.gz NQZFLSKDJAXECS-HNNXBMFYSA-N 1 2 336.439 3.106 20 30 EGEDLO CCc1nnc(NCCCc2[nH+]c3ccccc3n2C)c(C#N)c1CC ZINC000301624041 456166470 /nfs/dbraw/zinc/16/64/70/456166470.db2.gz FTCLNSVUYDBROA-UHFFFAOYSA-N 1 2 348.454 3.404 20 30 EGEDLO CCCCCCCOc1cccc(C[NH2+]Cc2cc(C(N)=O)no2)c1 ZINC000273353651 456223504 /nfs/dbraw/zinc/22/35/04/456223504.db2.gz BPGCTGWDPCTZHH-UHFFFAOYSA-N 1 2 345.443 3.413 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ncc(-c3cccc(Cl)c3)o2)C1=O ZINC000281445040 456235917 /nfs/dbraw/zinc/23/59/17/456235917.db2.gz UHRSTMYYHBMFOX-HNNXBMFYSA-N 1 2 345.830 3.214 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ncc(-c3cccc(Cl)c3)o2)C1=O ZINC000281445040 456235923 /nfs/dbraw/zinc/23/59/23/456235923.db2.gz UHRSTMYYHBMFOX-HNNXBMFYSA-N 1 2 345.830 3.214 20 30 EGEDLO COc1ccc(C[NH2+][C@@H](C)c2nnc(C)s2)cc1OCCCC#N ZINC000273673030 456242339 /nfs/dbraw/zinc/24/23/39/456242339.db2.gz ZNHWRYFUFUMDEF-LBPRGKRZSA-N 1 2 346.456 3.389 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(C(=O)OC)cc1F ZINC000352794224 456314897 /nfs/dbraw/zinc/31/48/97/456314897.db2.gz AATPPVUFNBEBDP-UHFFFAOYSA-N 1 2 347.386 3.276 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C(=O)OC)cc1F ZINC000352794224 456314900 /nfs/dbraw/zinc/31/49/00/456314900.db2.gz AATPPVUFNBEBDP-UHFFFAOYSA-N 1 2 347.386 3.276 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1C#N ZINC000281994304 456385296 /nfs/dbraw/zinc/38/52/96/456385296.db2.gz NSJRNELWNADMCR-INIZCTEOSA-N 1 2 325.372 3.414 20 30 EGEDLO C=CCn1cccc1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337573333 456391807 /nfs/dbraw/zinc/39/18/07/456391807.db2.gz UNIWHIOMFUKDFB-INIZCTEOSA-N 1 2 338.455 3.227 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2c2nc3ccccc3s2)C1=O ZINC000282090886 456411028 /nfs/dbraw/zinc/41/10/28/456411028.db2.gz VHBYJMMLMBVWQZ-GJZGRUSLSA-N 1 2 327.453 3.220 20 30 EGEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2c2nc3ccccc3s2)C1=O ZINC000282090886 456411034 /nfs/dbraw/zinc/41/10/34/456411034.db2.gz VHBYJMMLMBVWQZ-GJZGRUSLSA-N 1 2 327.453 3.220 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NCCC(C)C ZINC000352945929 456423274 /nfs/dbraw/zinc/42/32/74/456423274.db2.gz HGUCTGHYINVGIT-QGZVFWFLSA-N 1 2 334.508 3.393 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NCCC(C)C ZINC000352945929 456423275 /nfs/dbraw/zinc/42/32/75/456423275.db2.gz HGUCTGHYINVGIT-QGZVFWFLSA-N 1 2 334.508 3.393 20 30 EGEDLO C=CCOCCC[N@@H+]1CCO[C@H](c2cccc(Br)c2)C1 ZINC000347972099 456432281 /nfs/dbraw/zinc/43/22/81/456432281.db2.gz ZREARJXHXJBFLC-INIZCTEOSA-N 1 2 340.261 3.415 20 30 EGEDLO C=CCOCCC[N@H+]1CCO[C@H](c2cccc(Br)c2)C1 ZINC000347972099 456432290 /nfs/dbraw/zinc/43/22/90/456432290.db2.gz ZREARJXHXJBFLC-INIZCTEOSA-N 1 2 340.261 3.415 20 30 EGEDLO N#Cc1ccccc1N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000337688042 456481013 /nfs/dbraw/zinc/48/10/13/456481013.db2.gz RMRFWSGAEXVZNV-UHFFFAOYSA-N 1 2 343.434 3.066 20 30 EGEDLO CC(C)SCCO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000282368233 456491689 /nfs/dbraw/zinc/49/16/89/456491689.db2.gz XYTBMUDYYLWKBQ-UHFFFAOYSA-N 1 2 345.468 3.439 20 30 EGEDLO CCOC(=O)[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)[C@H](C)CC ZINC000276516440 456503350 /nfs/dbraw/zinc/50/33/50/456503350.db2.gz UOBJOIXYXYLFCI-QAPCUYQASA-N 1 2 331.460 3.104 20 30 EGEDLO C=CCOc1ccc(C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)cc1OC ZINC000276609063 456530501 /nfs/dbraw/zinc/53/05/01/456530501.db2.gz MNZCKUZYQPIPOP-INIZCTEOSA-N 1 2 329.400 3.110 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Br)C[C@H](C2CC2)O1 ZINC000348231986 456553032 /nfs/dbraw/zinc/55/30/32/456553032.db2.gz IPTTYFMOGMQNJR-BDJLRTHQSA-N 1 2 335.245 3.320 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)C[C@H](C2CC2)O1 ZINC000348231986 456553038 /nfs/dbraw/zinc/55/30/38/456553038.db2.gz IPTTYFMOGMQNJR-BDJLRTHQSA-N 1 2 335.245 3.320 20 30 EGEDLO C=C(C)COc1cc(C[NH2+]Cc2ncnn2C(C)(C)C)ccc1OC ZINC000282775489 456621508 /nfs/dbraw/zinc/62/15/08/456621508.db2.gz VFVRESYMAUFRHI-UHFFFAOYSA-N 1 2 344.459 3.286 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000282919569 456664252 /nfs/dbraw/zinc/66/42/52/456664252.db2.gz NRGLTPQQDCWNFU-ZDUSSCGKSA-N 1 2 327.428 3.277 20 30 EGEDLO N#Cc1ccccc1CSCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000343526619 456683835 /nfs/dbraw/zinc/68/38/35/456683835.db2.gz KNNDRSNQXXMGJE-GOSISDBHSA-N 1 2 349.463 3.289 20 30 EGEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)C2=CCCCCC2)cn1 ZINC000328621671 456722108 /nfs/dbraw/zinc/72/21/08/456722108.db2.gz AQBHFMHNVUNYRO-IRXDYDNUSA-N 1 2 334.439 3.180 20 30 EGEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)C2=CCCCCC2)cn1 ZINC000328621671 456722116 /nfs/dbraw/zinc/72/21/16/456722116.db2.gz AQBHFMHNVUNYRO-IRXDYDNUSA-N 1 2 334.439 3.180 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)Cc1sccc1C)CCC2 ZINC000328718163 456744335 /nfs/dbraw/zinc/74/43/35/456744335.db2.gz PQVHZNRXYQFCAU-AWEZNQCLSA-N 1 2 332.473 3.485 20 30 EGEDLO N#Cc1ccc(NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1F ZINC000353544402 456746665 /nfs/dbraw/zinc/74/66/65/456746665.db2.gz BPEXKFDQNBKIMC-UHFFFAOYSA-N 1 2 335.342 3.205 20 30 EGEDLO Cc1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@H]2C)[NH+]2CCOCC2)cc1 ZINC000328863377 456780274 /nfs/dbraw/zinc/78/02/74/456780274.db2.gz ZGCIZKYGUHZITF-QRQLOZEOSA-N 1 2 345.487 3.061 20 30 EGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1CC(=O)Nc1nc(C)cs1 ZINC000328873221 456781627 /nfs/dbraw/zinc/78/16/27/456781627.db2.gz YUXCQTKPVBOMFO-CYBMUJFWSA-N 1 2 333.461 3.483 20 30 EGEDLO O=C(NC1C2CC3CC(C2)CC1C3)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000328888339 456785532 /nfs/dbraw/zinc/78/55/32/456785532.db2.gz QBDOVLKFMXSLJW-JGUIRARASA-N 1 2 328.460 3.328 20 30 EGEDLO C[C@H]1CCN(C([O-])=[NH+]c2scnc2C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000328908134 456789443 /nfs/dbraw/zinc/78/94/43/456789443.db2.gz CRHHSGKCUGXYEQ-AAEUAGOBSA-N 1 2 331.445 3.346 20 30 EGEDLO Cc1noc([C@@H]2CC[N@H+](CC(=O)Nc3ccc(C)cc3Cl)C2)n1 ZINC000328947902 456798859 /nfs/dbraw/zinc/79/88/59/456798859.db2.gz BPTSJIUPHHKCCJ-GFCCVEGCSA-N 1 2 334.807 3.417 20 30 EGEDLO Cc1noc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(C)cc3Cl)C2)n1 ZINC000328947902 456798865 /nfs/dbraw/zinc/79/88/65/456798865.db2.gz BPTSJIUPHHKCCJ-GFCCVEGCSA-N 1 2 334.807 3.417 20 30 EGEDLO Cc1noc([C@H]2CC[N@H+](CC(=O)Nc3ccc(C)cc3Cl)C2)n1 ZINC000328947903 456798877 /nfs/dbraw/zinc/79/88/77/456798877.db2.gz BPTSJIUPHHKCCJ-LBPRGKRZSA-N 1 2 334.807 3.417 20 30 EGEDLO Cc1noc([C@H]2CC[N@@H+](CC(=O)Nc3ccc(C)cc3Cl)C2)n1 ZINC000328947903 456798884 /nfs/dbraw/zinc/79/88/84/456798884.db2.gz BPTSJIUPHHKCCJ-LBPRGKRZSA-N 1 2 334.807 3.417 20 30 EGEDLO C[C@@H]1CC(=O)CC[C@@H]1C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000328993352 456808287 /nfs/dbraw/zinc/80/82/87/456808287.db2.gz SZVDHMJBKKKEIY-IPYPFGDCSA-N 1 2 331.460 3.457 20 30 EGEDLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000329034457 456819067 /nfs/dbraw/zinc/81/90/67/456819067.db2.gz BXPSSXCPNXOLCU-ZWOKBUDYSA-N 1 2 346.471 3.282 20 30 EGEDLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000329034457 456819071 /nfs/dbraw/zinc/81/90/71/456819071.db2.gz BXPSSXCPNXOLCU-ZWOKBUDYSA-N 1 2 346.471 3.282 20 30 EGEDLO Cc1noc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3c(F)cccc3F)C2)n1 ZINC000329065492 456825739 /nfs/dbraw/zinc/82/57/39/456825739.db2.gz WEMZFBFUMJQQGL-MWLCHTKSSA-N 1 2 336.342 3.122 20 30 EGEDLO Cc1noc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3c(F)cccc3F)C2)n1 ZINC000329065492 456825744 /nfs/dbraw/zinc/82/57/44/456825744.db2.gz WEMZFBFUMJQQGL-MWLCHTKSSA-N 1 2 336.342 3.122 20 30 EGEDLO N#Cc1c(NCCc2[nH]c3ccccc3[nH+]2)nc2cc(Cl)ccn21 ZINC000338635130 456847082 /nfs/dbraw/zinc/84/70/82/456847082.db2.gz IWYIQQPLPHZLOG-UHFFFAOYSA-N 1 2 336.786 3.390 20 30 EGEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccccc1NC1CCCCC1 ZINC000329217955 456854810 /nfs/dbraw/zinc/85/48/10/456854810.db2.gz RDMIEKJVHGXKKX-INIZCTEOSA-N 1 2 345.487 3.457 20 30 EGEDLO C[C@@H]1C[C@@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC(=O)N1 ZINC000329341928 456875549 /nfs/dbraw/zinc/87/55/49/456875549.db2.gz PIOMBWPWWMVWBF-UKRRQHHQSA-N 1 2 330.432 3.283 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)Nc3cccc(C)c3C)C2)[nH]1 ZINC000329444584 456891686 /nfs/dbraw/zinc/89/16/86/456891686.db2.gz LQGUGDVEXCZCAE-OAHLLOKOSA-N 1 2 327.432 3.198 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)Nc3cccc(C)c3C)C2)[nH]1 ZINC000329444584 456891687 /nfs/dbraw/zinc/89/16/87/456891687.db2.gz LQGUGDVEXCZCAE-OAHLLOKOSA-N 1 2 327.432 3.198 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)Nc3cccc(C)c3C)C2)n1 ZINC000329444584 456891689 /nfs/dbraw/zinc/89/16/89/456891689.db2.gz LQGUGDVEXCZCAE-OAHLLOKOSA-N 1 2 327.432 3.198 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)Nc3cccc(C)c3C)C2)n1 ZINC000329444584 456891692 /nfs/dbraw/zinc/89/16/92/456891692.db2.gz LQGUGDVEXCZCAE-OAHLLOKOSA-N 1 2 327.432 3.198 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)Nc3cccc(C)c3C)C2)n[nH]1 ZINC000329444584 456891694 /nfs/dbraw/zinc/89/16/94/456891694.db2.gz LQGUGDVEXCZCAE-OAHLLOKOSA-N 1 2 327.432 3.198 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)Nc3cccc(C)c3C)C2)n[nH]1 ZINC000329444584 456891696 /nfs/dbraw/zinc/89/16/96/456891696.db2.gz LQGUGDVEXCZCAE-OAHLLOKOSA-N 1 2 327.432 3.198 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3CCC(C)CC3)C2)[nH]1 ZINC000329473507 456895783 /nfs/dbraw/zinc/89/57/83/456895783.db2.gz OPGNEILSRPZIBU-GOPBEWJXSA-N 1 2 333.480 3.216 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC3CCC(C)CC3)C2)[nH]1 ZINC000329473507 456895787 /nfs/dbraw/zinc/89/57/87/456895787.db2.gz OPGNEILSRPZIBU-GOPBEWJXSA-N 1 2 333.480 3.216 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3CCC(C)CC3)C2)n1 ZINC000329473507 456895789 /nfs/dbraw/zinc/89/57/89/456895789.db2.gz OPGNEILSRPZIBU-GOPBEWJXSA-N 1 2 333.480 3.216 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC3CCC(C)CC3)C2)n1 ZINC000329473507 456895790 /nfs/dbraw/zinc/89/57/90/456895790.db2.gz OPGNEILSRPZIBU-GOPBEWJXSA-N 1 2 333.480 3.216 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC3CCC(C)CC3)C2)n[nH]1 ZINC000329473507 456895793 /nfs/dbraw/zinc/89/57/93/456895793.db2.gz OPGNEILSRPZIBU-GOPBEWJXSA-N 1 2 333.480 3.216 20 30 EGEDLO O=C(N[C@@H]1CCCOc2cc(F)ccc21)C1([NH+]2CCOCC2)CCC1 ZINC000329484687 456897705 /nfs/dbraw/zinc/89/77/05/456897705.db2.gz WVGHLLGGLCLLCC-MRXNPFEDSA-N 1 2 348.418 3.251 20 30 EGEDLO O=C(C[N@@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1)NC1CC1 ZINC000329505249 456901663 /nfs/dbraw/zinc/90/16/63/456901663.db2.gz ZIWNSYBMSCYCOK-CQSZACIVSA-N 1 2 331.464 3.151 20 30 EGEDLO O=C(C[N@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1)NC1CC1 ZINC000329505249 456901665 /nfs/dbraw/zinc/90/16/65/456901665.db2.gz ZIWNSYBMSCYCOK-CQSZACIVSA-N 1 2 331.464 3.151 20 30 EGEDLO O=C(C[N@@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1)NC1CC1 ZINC000329505247 456901773 /nfs/dbraw/zinc/90/17/73/456901773.db2.gz ZIWNSYBMSCYCOK-AWEZNQCLSA-N 1 2 331.464 3.151 20 30 EGEDLO O=C(C[N@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1)NC1CC1 ZINC000329505247 456901774 /nfs/dbraw/zinc/90/17/74/456901774.db2.gz ZIWNSYBMSCYCOK-AWEZNQCLSA-N 1 2 331.464 3.151 20 30 EGEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000329559863 456909249 /nfs/dbraw/zinc/90/92/49/456909249.db2.gz RCILHIMNZVDSBG-FRRDWIJNSA-N 1 2 344.381 3.070 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1C[C@@]12CCOC2)c1cccc(F)c1 ZINC000329667590 456924606 /nfs/dbraw/zinc/92/46/06/456924606.db2.gz QQBNEPXBTSKNDB-HDMKZQKVSA-N 1 2 329.375 3.032 20 30 EGEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000341833090 456964245 /nfs/dbraw/zinc/96/42/45/456964245.db2.gz OBIQIAAKKHIWBQ-AWEZNQCLSA-N 1 2 328.437 3.155 20 30 EGEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000341833090 456964250 /nfs/dbraw/zinc/96/42/50/456964250.db2.gz OBIQIAAKKHIWBQ-AWEZNQCLSA-N 1 2 328.437 3.155 20 30 EGEDLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)sc1C ZINC000329942349 456964675 /nfs/dbraw/zinc/96/46/75/456964675.db2.gz HEWRNTWJEBJHTD-BQUFFADESA-N 1 2 336.461 3.372 20 30 EGEDLO Cc1nc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)sc1C ZINC000329942349 456964678 /nfs/dbraw/zinc/96/46/78/456964678.db2.gz HEWRNTWJEBJHTD-BQUFFADESA-N 1 2 336.461 3.372 20 30 EGEDLO COc1cccc([C@H](C)NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000329975650 456969454 /nfs/dbraw/zinc/96/94/54/456969454.db2.gz ZUWRLPNAZMFRCM-MPGHIAIKSA-N 1 2 342.443 3.450 20 30 EGEDLO C[C@H](c1cc(F)ccc1F)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000339213304 456994554 /nfs/dbraw/zinc/99/45/54/456994554.db2.gz IRHLBCLOZNUFSK-CYBMUJFWSA-N 1 2 343.377 3.146 20 30 EGEDLO C[C@H](c1cc(F)ccc1F)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000339213304 456994560 /nfs/dbraw/zinc/99/45/60/456994560.db2.gz IRHLBCLOZNUFSK-CYBMUJFWSA-N 1 2 343.377 3.146 20 30 EGEDLO O=C(C[N@H+]1CCC[C@H](Oc2ncccc2F)C1)NC1CCCCC1 ZINC000330188213 456998270 /nfs/dbraw/zinc/99/82/70/456998270.db2.gz LAFYVBLWVXPDEM-HNNXBMFYSA-N 1 2 335.423 3.353 20 30 EGEDLO O=C(C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1)NC1CCCCC1 ZINC000330188213 456998273 /nfs/dbraw/zinc/99/82/73/456998273.db2.gz LAFYVBLWVXPDEM-HNNXBMFYSA-N 1 2 335.423 3.353 20 30 EGEDLO CC1(C)CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)[C@H]1c1cccnc1 ZINC000330193342 457000255 /nfs/dbraw/zinc/00/02/55/457000255.db2.gz AIXOYUVSGFCIGB-HOTGVXAUSA-N 1 2 339.443 3.153 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@@H]1CCO[C@H](C)C1 ZINC000330248783 457011656 /nfs/dbraw/zinc/01/16/56/457011656.db2.gz GILQOAWEPQGNOZ-OAGGEKHMSA-N 1 2 334.464 3.159 20 30 EGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)CCO1 ZINC000330282674 457020598 /nfs/dbraw/zinc/02/05/98/457020598.db2.gz AUBZFRYSYBQIEO-KONPQCLYSA-N 1 2 346.475 3.113 20 30 EGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)N[C@@H]2C[C@H]2C2CCCCC2)CCO1 ZINC000330282673 457020657 /nfs/dbraw/zinc/02/06/57/457020657.db2.gz AUBZFRYSYBQIEO-HPFXQQBRSA-N 1 2 346.475 3.113 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2csc(Nc3ccccc3)n2)CC1 ZINC000341987684 457043944 /nfs/dbraw/zinc/04/39/44/457043944.db2.gz HFXWDSCNMKPBIT-UHFFFAOYSA-N 1 2 342.468 3.061 20 30 EGEDLO COCC1(C#N)CC[NH+]([C@@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000341994342 457047967 /nfs/dbraw/zinc/04/79/67/457047967.db2.gz SJCRVZUGNBMHOW-LBPRGKRZSA-N 1 2 332.429 3.111 20 30 EGEDLO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCC[C@@H]2C#N)cc1 ZINC000330656460 457066326 /nfs/dbraw/zinc/06/63/26/457066326.db2.gz LLPHVBOEXQUSLU-PBHICJAKSA-N 1 2 334.485 3.040 20 30 EGEDLO Cc1ccc2[nH+]c(CSCC(=O)NCC(C)(C)CCC#N)cn2c1 ZINC000359756748 457127685 /nfs/dbraw/zinc/12/76/85/457127685.db2.gz KRYKHNONISKGLE-UHFFFAOYSA-N 1 2 344.484 3.322 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCC(C)(C)C[C@H](C)O ZINC000331191742 457144318 /nfs/dbraw/zinc/14/43/18/457144318.db2.gz RFSWRHGJQUXZJC-GJZGRUSLSA-N 1 2 336.480 3.141 20 30 EGEDLO CC1(C)CCC[N@H+](CCNC(=O)c2cc(F)c(F)c(O)c2F)C1 ZINC000331308408 457164393 /nfs/dbraw/zinc/16/43/93/457164393.db2.gz XGFLXUCYQZGRGZ-UHFFFAOYSA-N 1 2 330.350 3.236 20 30 EGEDLO CC1(C)CCC[N@@H+](CCNC(=O)c2cc(F)c(F)c(O)c2F)C1 ZINC000331308408 457164395 /nfs/dbraw/zinc/16/43/95/457164395.db2.gz XGFLXUCYQZGRGZ-UHFFFAOYSA-N 1 2 330.350 3.236 20 30 EGEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)Nc1ccccc1Br ZINC000331356467 457172470 /nfs/dbraw/zinc/17/24/70/457172470.db2.gz RYSVHOHPEJOLAN-GVXVVHGQSA-N 1 2 336.233 3.058 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000351205071 457239672 /nfs/dbraw/zinc/23/96/72/457239672.db2.gz QXDZAIARLVDJPT-NVXWUHKLSA-N 1 2 336.501 3.008 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000351205071 457239678 /nfs/dbraw/zinc/23/96/78/457239678.db2.gz QXDZAIARLVDJPT-NVXWUHKLSA-N 1 2 336.501 3.008 20 30 EGEDLO CN(C(=O)C[N@@H+]1CCCC[C@@H]1c1ccco1)C1(C#N)CCCCC1 ZINC000331739227 457243703 /nfs/dbraw/zinc/24/37/03/457243703.db2.gz VICXZFJLJSWJEC-MRXNPFEDSA-N 1 2 329.444 3.491 20 30 EGEDLO CN(C(=O)C[N@H+]1CCCC[C@@H]1c1ccco1)C1(C#N)CCCCC1 ZINC000331739227 457243710 /nfs/dbraw/zinc/24/37/10/457243710.db2.gz VICXZFJLJSWJEC-MRXNPFEDSA-N 1 2 329.444 3.491 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCc3c(F)cccc3C2)cc1Cl ZINC000339792646 457273202 /nfs/dbraw/zinc/27/32/02/457273202.db2.gz RYWOGFRLUKQYBE-UHFFFAOYSA-N 1 2 343.789 3.348 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCc3c(F)cccc3C2)cc1Cl ZINC000339792646 457273208 /nfs/dbraw/zinc/27/32/08/457273208.db2.gz RYWOGFRLUKQYBE-UHFFFAOYSA-N 1 2 343.789 3.348 20 30 EGEDLO CCOc1ccccc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000351492032 457301172 /nfs/dbraw/zinc/30/11/72/457301172.db2.gz KDJXTRLFCJLRJM-HXUWFJFHSA-N 1 2 335.451 3.468 20 30 EGEDLO C=C(C)[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC000360618328 457320978 /nfs/dbraw/zinc/32/09/78/457320978.db2.gz IJCSSWSDNBPKGR-QZTJIDSGSA-N 1 2 341.361 3.270 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000351928748 457323244 /nfs/dbraw/zinc/32/32/44/457323244.db2.gz VNAPBPWDZCFOQX-OAHLLOKOSA-N 1 2 345.874 3.437 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000351928748 457323248 /nfs/dbraw/zinc/32/32/48/457323248.db2.gz VNAPBPWDZCFOQX-OAHLLOKOSA-N 1 2 345.874 3.437 20 30 EGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccc(C3(C#N)CC3)cc1)CCC2 ZINC000360755502 457338079 /nfs/dbraw/zinc/33/80/79/457338079.db2.gz MRHXHXRWILUPRG-MRXNPFEDSA-N 1 2 334.423 3.054 20 30 EGEDLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)o1 ZINC000355198900 457347151 /nfs/dbraw/zinc/34/71/51/457347151.db2.gz ODDXRBYQMZCVGA-YOEYTUCGSA-N 1 2 347.418 3.248 20 30 EGEDLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)o1 ZINC000355198900 457347157 /nfs/dbraw/zinc/34/71/57/457347157.db2.gz ODDXRBYQMZCVGA-YOEYTUCGSA-N 1 2 347.418 3.248 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(F)(C#N)CC1 ZINC000352448421 457376222 /nfs/dbraw/zinc/37/62/22/457376222.db2.gz HBFIVUWFQHFITD-AWEZNQCLSA-N 1 2 325.387 3.494 20 30 EGEDLO Cn1cc(C[N@@H+]2CCc3ccc(Br)cc3C2)cc1C#N ZINC000342843365 457552276 /nfs/dbraw/zinc/55/22/76/457552276.db2.gz QXEHJOWUWNREOK-UHFFFAOYSA-N 1 2 330.229 3.218 20 30 EGEDLO Cn1cc(C[N@H+]2CCc3ccc(Br)cc3C2)cc1C#N ZINC000342843365 457552277 /nfs/dbraw/zinc/55/22/77/457552277.db2.gz QXEHJOWUWNREOK-UHFFFAOYSA-N 1 2 330.229 3.218 20 30 EGEDLO O=C(c1ccoc1)N1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000370835211 457727051 /nfs/dbraw/zinc/72/70/51/457727051.db2.gz MJWHSCAXFMDRPK-UHFFFAOYSA-N 1 2 342.826 3.133 20 30 EGEDLO O=C(c1ccoc1)N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000370835211 457727053 /nfs/dbraw/zinc/72/70/53/457727053.db2.gz MJWHSCAXFMDRPK-UHFFFAOYSA-N 1 2 342.826 3.133 20 30 EGEDLO COCCCn1nccc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000374993551 457747687 /nfs/dbraw/zinc/74/76/87/457747687.db2.gz GWSKKZSMZKMQSE-VQTJNVASSA-N 1 2 338.455 3.191 20 30 EGEDLO COCCCn1nccc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000374993551 457747690 /nfs/dbraw/zinc/74/76/90/457747690.db2.gz GWSKKZSMZKMQSE-VQTJNVASSA-N 1 2 338.455 3.191 20 30 EGEDLO COCCCn1nccc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000374993550 457748039 /nfs/dbraw/zinc/74/80/39/457748039.db2.gz GWSKKZSMZKMQSE-UXHICEINSA-N 1 2 338.455 3.191 20 30 EGEDLO COCCCn1nccc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000374993550 457748043 /nfs/dbraw/zinc/74/80/43/457748043.db2.gz GWSKKZSMZKMQSE-UXHICEINSA-N 1 2 338.455 3.191 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(SC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000358059384 457759923 /nfs/dbraw/zinc/75/99/23/457759923.db2.gz FABQQTNEHSPNMH-MRXNPFEDSA-N 1 2 339.526 3.362 20 30 EGEDLO C=CC[N@H+](Cc1ccc(SC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000358059384 457759929 /nfs/dbraw/zinc/75/99/29/457759929.db2.gz FABQQTNEHSPNMH-MRXNPFEDSA-N 1 2 339.526 3.362 20 30 EGEDLO N#Cc1nc(N2CC[C@@H](CNc3cccc[nH+]3)C2)ccc1C(F)(F)F ZINC000443512850 457774395 /nfs/dbraw/zinc/77/43/95/457774395.db2.gz VRSPPODJEYBNBX-LBPRGKRZSA-N 1 2 347.344 3.305 20 30 EGEDLO CN(CC(C)(C)C#N)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000457653006 457780324 /nfs/dbraw/zinc/78/03/24/457780324.db2.gz NDNOTOUOUPPDIV-UHFFFAOYSA-N 1 2 343.475 3.153 20 30 EGEDLO Cc1cccn2cc(CNC(=O)[C@H](C#N)CCc3ccccc3)[nH+]c12 ZINC000433344807 457817540 /nfs/dbraw/zinc/81/75/40/457817540.db2.gz UREFLJMRKPWPAI-KRWDZBQOSA-N 1 2 332.407 3.032 20 30 EGEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000411190770 457825290 /nfs/dbraw/zinc/82/52/90/457825290.db2.gz VCZWLUNRCKEAPT-HNAYVOBHSA-N 1 2 331.435 3.257 20 30 EGEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000411190770 457825297 /nfs/dbraw/zinc/82/52/97/457825297.db2.gz VCZWLUNRCKEAPT-HNAYVOBHSA-N 1 2 331.435 3.257 20 30 EGEDLO C=CC[N@@H+](CCc1ccccc1)[C@H](C)c1nnnn1-c1ccccc1 ZINC000411196072 457826315 /nfs/dbraw/zinc/82/63/15/457826315.db2.gz IVWUANWMIKPITK-QGZVFWFLSA-N 1 2 333.439 3.454 20 30 EGEDLO C=CC[N@H+](CCc1ccccc1)[C@H](C)c1nnnn1-c1ccccc1 ZINC000411196072 457826323 /nfs/dbraw/zinc/82/63/23/457826323.db2.gz IVWUANWMIKPITK-QGZVFWFLSA-N 1 2 333.439 3.454 20 30 EGEDLO N#CC1(CC[NH+]2CCN(C(=O)c3ccccc3O)CC2)CCCCC1 ZINC000411390266 457871968 /nfs/dbraw/zinc/87/19/68/457871968.db2.gz OHAHCCVSXXAJFC-UHFFFAOYSA-N 1 2 341.455 3.014 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)N(C)Cc1ccccc1F ZINC000362183256 458040771 /nfs/dbraw/zinc/04/07/71/458040771.db2.gz FJVDAENNBXGCLW-UHFFFAOYSA-N 1 2 333.451 3.436 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)N(C)Cc1ccccc1F ZINC000362183256 458040780 /nfs/dbraw/zinc/04/07/80/458040780.db2.gz FJVDAENNBXGCLW-UHFFFAOYSA-N 1 2 333.451 3.436 20 30 EGEDLO C#CC[N@@H+](Cc1nnc(-c2ccccc2OC)o1)Cc1ccccc1 ZINC000375863963 458100981 /nfs/dbraw/zinc/10/09/81/458100981.db2.gz YYOAEQMOFXIDJD-UHFFFAOYSA-N 1 2 333.391 3.381 20 30 EGEDLO C#CC[N@H+](Cc1nnc(-c2ccccc2OC)o1)Cc1ccccc1 ZINC000375863963 458100987 /nfs/dbraw/zinc/10/09/87/458100987.db2.gz YYOAEQMOFXIDJD-UHFFFAOYSA-N 1 2 333.391 3.381 20 30 EGEDLO CC(C)CN1CC[N@H+](Cc2cccc(OCCCC#N)c2)[C@H](C)C1=O ZINC000428457780 458148098 /nfs/dbraw/zinc/14/80/98/458148098.db2.gz KKCNKJUTCZESHA-QGZVFWFLSA-N 1 2 343.471 3.058 20 30 EGEDLO CC(C)CN1CC[N@@H+](Cc2cccc(OCCCC#N)c2)[C@H](C)C1=O ZINC000428457780 458148104 /nfs/dbraw/zinc/14/81/04/458148104.db2.gz KKCNKJUTCZESHA-QGZVFWFLSA-N 1 2 343.471 3.058 20 30 EGEDLO C[C@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)Cc2ccccc2O1 ZINC000429184978 458288841 /nfs/dbraw/zinc/28/88/41/458288841.db2.gz UKDWMDNLVVCBBU-KRWDZBQOSA-N 1 2 349.434 3.216 20 30 EGEDLO C[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)Cc2ccccc2O1 ZINC000429184978 458288845 /nfs/dbraw/zinc/28/88/45/458288845.db2.gz UKDWMDNLVVCBBU-KRWDZBQOSA-N 1 2 349.434 3.216 20 30 EGEDLO C[C@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)c1ncn(C)n1 ZINC000436398729 458300024 /nfs/dbraw/zinc/30/00/24/458300024.db2.gz AQDGWROMEZMZDH-HNNXBMFYSA-N 1 2 347.422 3.117 20 30 EGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000413824460 458307978 /nfs/dbraw/zinc/30/79/78/458307978.db2.gz CRSMMNYQXJYDKD-GOSISDBHSA-N 1 2 326.444 3.102 20 30 EGEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(Nc2ccccc2)cc1 ZINC000414133828 458315302 /nfs/dbraw/zinc/31/53/02/458315302.db2.gz DAYYHVLNVGGSNL-SFHVURJKSA-N 1 2 325.412 3.015 20 30 EGEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(Nc2ccccc2)cc1 ZINC000414133828 458315308 /nfs/dbraw/zinc/31/53/08/458315308.db2.gz DAYYHVLNVGGSNL-SFHVURJKSA-N 1 2 325.412 3.015 20 30 EGEDLO COc1ccc(C#N)cc1C[NH+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C ZINC000429393257 458327776 /nfs/dbraw/zinc/32/77/76/458327776.db2.gz KXBIPHKFFPMEIE-HUUCEWRRSA-N 1 2 343.471 3.034 20 30 EGEDLO N#CC1(C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CCC1 ZINC000418144858 458373071 /nfs/dbraw/zinc/37/30/71/458373071.db2.gz VFVWBZYYRBXCTN-UHFFFAOYSA-N 1 2 336.226 3.358 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000429857341 458377700 /nfs/dbraw/zinc/37/77/00/458377700.db2.gz JPNKRXUKSLRZSK-UHFFFAOYSA-N 1 2 330.472 3.332 20 30 EGEDLO CC1(C)CC(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000429868419 458378599 /nfs/dbraw/zinc/37/85/99/458378599.db2.gz SLPUGFNKAXGDGE-UHFFFAOYSA-N 1 2 325.456 3.029 20 30 EGEDLO C=CCC1(C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)CCCC1 ZINC000449646025 458427608 /nfs/dbraw/zinc/42/76/08/458427608.db2.gz MKXSROKPFRIGTG-MRXNPFEDSA-N 1 2 343.471 3.059 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3c(C)noc3C)CC2)CCCC1 ZINC000449630954 458427879 /nfs/dbraw/zinc/42/78/79/458427879.db2.gz OCUQDRIEFGRFIM-UHFFFAOYSA-N 1 2 331.460 3.072 20 30 EGEDLO COC(=O)[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(C)c(C)c1 ZINC000459627571 458430968 /nfs/dbraw/zinc/43/09/68/458430968.db2.gz HNFVQJLSUXTOPE-GOSISDBHSA-N 1 2 344.455 3.208 20 30 EGEDLO C=CCCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450429248 458448394 /nfs/dbraw/zinc/44/83/94/458448394.db2.gz ZAZVUSISPKHHTE-ZDUSSCGKSA-N 1 2 328.372 3.255 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000437647353 458478417 /nfs/dbraw/zinc/47/84/17/458478417.db2.gz CJCCJZHUQSHRIF-MAIVGLDJSA-N 1 2 342.483 3.073 20 30 EGEDLO C=CCC(C)(C)CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000432114391 458684315 /nfs/dbraw/zinc/68/43/15/458684315.db2.gz USGDRBRXYLPBEV-UHFFFAOYSA-N 1 2 330.476 3.473 20 30 EGEDLO C=CCOc1ccccc1C[N@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000506766918 458752890 /nfs/dbraw/zinc/75/28/90/458752890.db2.gz JTJRLWSWQAUGGI-UHFFFAOYSA-N 1 2 328.387 3.461 20 30 EGEDLO C=CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000506766918 458752898 /nfs/dbraw/zinc/75/28/98/458752898.db2.gz JTJRLWSWQAUGGI-UHFFFAOYSA-N 1 2 328.387 3.461 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC(C)(C)CCC#N)c1ccccc1 ZINC000516753792 458820656 /nfs/dbraw/zinc/82/06/56/458820656.db2.gz DYGMJZNLDQKFDR-INIZCTEOSA-N 1 2 339.443 3.139 20 30 EGEDLO N#CCCC[C@@H]([NH2+]Cc1noc(C2CCOCC2)n1)c1ccccc1 ZINC000433009724 458825694 /nfs/dbraw/zinc/82/56/94/458825694.db2.gz IQWAFJSDYQDJMS-QGZVFWFLSA-N 1 2 340.427 3.488 20 30 EGEDLO Cc1cccc(C)c1NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548798785 458873749 /nfs/dbraw/zinc/87/37/49/458873749.db2.gz CDZLFVJGCQDQJI-UHFFFAOYSA-N 1 2 348.450 3.194 20 30 EGEDLO COCC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1 ZINC000441173601 458894644 /nfs/dbraw/zinc/89/46/44/458894644.db2.gz UWHAGUBVMLTFLK-UHFFFAOYSA-N 1 2 348.406 3.257 20 30 EGEDLO COCC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1 ZINC000441173601 458894650 /nfs/dbraw/zinc/89/46/50/458894650.db2.gz UWHAGUBVMLTFLK-UHFFFAOYSA-N 1 2 348.406 3.257 20 30 EGEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000519059708 458911940 /nfs/dbraw/zinc/91/19/40/458911940.db2.gz MXVYHMVLRXAWEU-ZDUSSCGKSA-N 1 2 332.363 3.354 20 30 EGEDLO CC[N@H+](CCCNc1ccc(C(=O)OC)nc1C#N)c1ccccc1 ZINC000566478195 458945352 /nfs/dbraw/zinc/94/53/52/458945352.db2.gz ILFHKOSSIIZUPV-UHFFFAOYSA-N 1 2 338.411 3.068 20 30 EGEDLO CC[N@@H+](CCCNc1ccc(C(=O)OC)nc1C#N)c1ccccc1 ZINC000566478195 458945356 /nfs/dbraw/zinc/94/53/56/458945356.db2.gz ILFHKOSSIIZUPV-UHFFFAOYSA-N 1 2 338.411 3.068 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000441452518 458946642 /nfs/dbraw/zinc/94/66/42/458946642.db2.gz WMASSEDFIWUKQY-MJGOQNOKSA-N 1 2 330.472 3.181 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000441452518 458946647 /nfs/dbraw/zinc/94/66/47/458946647.db2.gz WMASSEDFIWUKQY-MJGOQNOKSA-N 1 2 330.472 3.181 20 30 EGEDLO CCc1ccc(-c2ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)o2)cc1 ZINC000576921389 458947073 /nfs/dbraw/zinc/94/70/73/458947073.db2.gz HHHDWOFUNWUCGS-IBGZPJMESA-N 1 2 325.412 3.083 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)C2(C#N)CC(C)C2)CC1 ZINC000531822034 458984619 /nfs/dbraw/zinc/98/46/19/458984619.db2.gz DEGWRLBWDNBKBW-XAUUPUKJSA-N 1 2 345.874 3.485 20 30 EGEDLO Cc1cccc2c1ncc(C#N)c2NCCc1[nH]c2ccccc2[nH+]1 ZINC000590133288 459089587 /nfs/dbraw/zinc/08/95/87/459089587.db2.gz AUINYCDMSCZZAW-UHFFFAOYSA-N 1 2 327.391 3.368 20 30 EGEDLO N#Cc1ccccc1Oc1ccccc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000590378134 459122733 /nfs/dbraw/zinc/12/27/33/459122733.db2.gz FOEOXELDRCAPTI-UHFFFAOYSA-N 1 2 344.374 3.272 20 30 EGEDLO N#Cc1ccccc1Oc1ccccc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000590378134 459122736 /nfs/dbraw/zinc/12/27/36/459122736.db2.gz FOEOXELDRCAPTI-UHFFFAOYSA-N 1 2 344.374 3.272 20 30 EGEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000521267067 459137235 /nfs/dbraw/zinc/13/72/35/459137235.db2.gz LHJVFSMUFSBEKP-IRXDYDNUSA-N 1 2 326.444 3.221 20 30 EGEDLO COC(=O)c1ccc(CNc2[nH+]cccc2OCCCC#N)cc1F ZINC000594735934 459146793 /nfs/dbraw/zinc/14/67/93/459146793.db2.gz ZORKUYVNQSSIPZ-UHFFFAOYSA-N 1 2 343.358 3.302 20 30 EGEDLO C=CCOC[C@H]([NH2+]C1CCC(C)(c2ccccc2)CC1)C(=O)OC ZINC000482455569 459309962 /nfs/dbraw/zinc/30/99/62/459309962.db2.gz QDXOIEYLLAGPII-FDYSRKEFSA-N 1 2 331.456 3.221 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595610450 459365632 /nfs/dbraw/zinc/36/56/32/459365632.db2.gz YTMAEKMABXQQEI-GOSISDBHSA-N 1 2 338.455 3.176 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595610450 459365636 /nfs/dbraw/zinc/36/56/36/459365636.db2.gz YTMAEKMABXQQEI-GOSISDBHSA-N 1 2 338.455 3.176 20 30 EGEDLO Cc1ccc(F)c(N2CCC[C@@H]([N@@H+]3CCC[C@H](CC#N)C3)C2=O)c1 ZINC000595615382 459369039 /nfs/dbraw/zinc/36/90/39/459369039.db2.gz QKIVNTLHRGDNMU-NVXWUHKLSA-N 1 2 329.419 3.255 20 30 EGEDLO Cc1ccc(F)c(N2CCC[C@@H]([N@H+]3CCC[C@H](CC#N)C3)C2=O)c1 ZINC000595615382 459369046 /nfs/dbraw/zinc/36/90/46/459369046.db2.gz QKIVNTLHRGDNMU-NVXWUHKLSA-N 1 2 329.419 3.255 20 30 EGEDLO CC#CCCCC(=O)N1CC[NH+](Cc2ccc(Cl)cc2C)CC1 ZINC000560978781 459409279 /nfs/dbraw/zinc/40/92/79/459409279.db2.gz REFPUBJIKZTUSG-UHFFFAOYSA-N 1 2 332.875 3.486 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCCOc1ccc(F)cc1)Cc1cccs1 ZINC000525270231 459437332 /nfs/dbraw/zinc/43/73/32/459437332.db2.gz GXKQKQAYAMYVLL-UHFFFAOYSA-N 1 2 348.443 3.070 20 30 EGEDLO C=CC[N@H+](CC(=O)NCCOc1ccc(F)cc1)Cc1cccs1 ZINC000525270231 459437337 /nfs/dbraw/zinc/43/73/37/459437337.db2.gz GXKQKQAYAMYVLL-UHFFFAOYSA-N 1 2 348.443 3.070 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595784548 459438739 /nfs/dbraw/zinc/43/87/39/459438739.db2.gz BGCRXBWFZIGIJL-QYZOEREBSA-N 1 2 342.439 3.053 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595784548 459438744 /nfs/dbraw/zinc/43/87/44/459438744.db2.gz BGCRXBWFZIGIJL-QYZOEREBSA-N 1 2 342.439 3.053 20 30 EGEDLO Cc1ccc2ncc(C#N)c(NCc3cn4cc(C)ccc4[nH+]3)c2c1 ZINC000488095148 459537614 /nfs/dbraw/zinc/53/76/14/459537614.db2.gz AVEKLOJLPZFUGV-UHFFFAOYSA-N 1 2 327.391 3.405 20 30 EGEDLO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151967 459538506 /nfs/dbraw/zinc/53/85/06/459538506.db2.gz SNTWECUPQDDQBF-PXAZEXFGSA-N 1 2 331.803 3.406 20 30 EGEDLO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151967 459538510 /nfs/dbraw/zinc/53/85/10/459538510.db2.gz SNTWECUPQDDQBF-PXAZEXFGSA-N 1 2 331.803 3.406 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000571697431 459572036 /nfs/dbraw/zinc/57/20/36/459572036.db2.gz HCIVAERMORCXLG-JTQLQIEISA-N 1 2 328.397 3.439 20 30 EGEDLO C#CCN(CC)C(=O)c1ccc(OCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000490555981 459579437 /nfs/dbraw/zinc/57/94/37/459579437.db2.gz PKNNFKWOYYQLKA-UHFFFAOYSA-N 1 2 347.418 3.317 20 30 EGEDLO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)NCC#Cc1ccccc1 ZINC000490668424 459582548 /nfs/dbraw/zinc/58/25/48/459582548.db2.gz VOUBTWNWGMRHHN-RAXLEYEMSA-N 1 2 327.387 3.053 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccn2)cc1Cl ZINC000572906444 459592973 /nfs/dbraw/zinc/59/29/73/459592973.db2.gz OFBSOQCCPMEABJ-KRWDZBQOSA-N 1 2 340.814 3.382 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccccn2)cc1Cl ZINC000572906444 459592978 /nfs/dbraw/zinc/59/29/78/459592978.db2.gz OFBSOQCCPMEABJ-KRWDZBQOSA-N 1 2 340.814 3.382 20 30 EGEDLO COc1cccc(/C=[NH+]\C[C@H](NC(=O)OC(C)(C)C)C(C)C)c1O ZINC000491377934 459620814 /nfs/dbraw/zinc/62/08/14/459620814.db2.gz HBRNQNUZYYYIRF-VAODSVERSA-N 1 2 336.432 3.369 20 30 EGEDLO Cc1cn2cc(NC(=O)/C=C/c3ccc(OCC#N)cc3)ccc2[nH+]1 ZINC000491476744 459629518 /nfs/dbraw/zinc/62/95/18/459629518.db2.gz BNAHUBYOUCFMPA-RUDMXATFSA-N 1 2 332.363 3.197 20 30 EGEDLO C#C[C@H](C)[N@H+](C)Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000491465799 459629939 /nfs/dbraw/zinc/62/99/39/459629939.db2.gz YHESZERVTCVHCU-AWEZNQCLSA-N 1 2 327.453 3.086 20 30 EGEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000491465799 459629942 /nfs/dbraw/zinc/62/99/42/459629942.db2.gz YHESZERVTCVHCU-AWEZNQCLSA-N 1 2 327.453 3.086 20 30 EGEDLO C#C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000491555859 459637455 /nfs/dbraw/zinc/63/74/55/459637455.db2.gz ULJKYHOZQANASE-IBGZPJMESA-N 1 2 333.366 3.175 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@H]2CCCc3ccc(F)cc32)n1 ZINC000491620038 459639954 /nfs/dbraw/zinc/63/99/54/459639954.db2.gz FCCSMQPRLVKOIV-FQEVSTJZSA-N 1 2 341.430 3.181 20 30 EGEDLO C#CCn1ccc(C[N@H+](CCOC)[C@H]2CCCc3ccc(F)cc32)n1 ZINC000491620038 459639959 /nfs/dbraw/zinc/63/99/59/459639959.db2.gz FCCSMQPRLVKOIV-FQEVSTJZSA-N 1 2 341.430 3.181 20 30 EGEDLO C#C[C@@H](NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1)c1ccc(Cl)cc1 ZINC000491654698 459646916 /nfs/dbraw/zinc/64/69/16/459646916.db2.gz GKDVAFCNZZSECA-HZPDHXFCSA-N 1 2 342.830 3.198 20 30 EGEDLO C#C[C@H](C)[N@H+](C)Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1 ZINC000491694122 459654993 /nfs/dbraw/zinc/65/49/93/459654993.db2.gz AGXCLOKQBIXVOZ-HNNXBMFYSA-N 1 2 341.480 3.395 20 30 EGEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1 ZINC000491694122 459654998 /nfs/dbraw/zinc/65/49/98/459654998.db2.gz AGXCLOKQBIXVOZ-HNNXBMFYSA-N 1 2 341.480 3.395 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596591760 459687850 /nfs/dbraw/zinc/68/78/50/459687850.db2.gz LQZHWSMUQCBTGT-KDOFPFPSSA-N 1 2 334.423 3.363 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596591760 459687855 /nfs/dbraw/zinc/68/78/55/459687855.db2.gz LQZHWSMUQCBTGT-KDOFPFPSSA-N 1 2 334.423 3.363 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H](OC(C)C)C2)c1C#N ZINC000593056077 459757995 /nfs/dbraw/zinc/75/79/95/459757995.db2.gz XJIDTKMIROSYFP-SFHVURJKSA-N 1 2 338.455 3.442 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H](OC(C)C)C2)c1C#N ZINC000593056077 459758002 /nfs/dbraw/zinc/75/80/02/459758002.db2.gz XJIDTKMIROSYFP-SFHVURJKSA-N 1 2 338.455 3.442 20 30 EGEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000564098318 459771043 /nfs/dbraw/zinc/77/10/43/459771043.db2.gz LYLKNYSGEKPCTO-VXGBXAGGSA-N 1 2 338.249 3.366 20 30 EGEDLO CC[C@H]1C[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@H](C)CO1 ZINC000593063420 459761309 /nfs/dbraw/zinc/76/13/09/459761309.db2.gz MWDCQMYGRQGYEG-MJGOQNOKSA-N 1 2 343.471 3.049 20 30 EGEDLO CC[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@H](C)CO1 ZINC000593063420 459761311 /nfs/dbraw/zinc/76/13/11/459761311.db2.gz MWDCQMYGRQGYEG-MJGOQNOKSA-N 1 2 343.471 3.049 20 30 EGEDLO CC[C@H](CC#N)[NH2+]Cc1cc2c(cc1Br)OCCCO2 ZINC000563367404 459765189 /nfs/dbraw/zinc/76/51/89/459765189.db2.gz NIKYMQOKUHSDHG-GFCCVEGCSA-N 1 2 339.233 3.392 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000593155500 459790183 /nfs/dbraw/zinc/79/01/83/459790183.db2.gz WNYBFNSMKDPNIG-MRXNPFEDSA-N 1 2 348.859 3.037 20 30 EGEDLO Cc1ccc2c(Cl)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)sc2c1 ZINC000593154607 459790716 /nfs/dbraw/zinc/79/07/16/459790716.db2.gz NDWPBVSDAGVMQO-MRXNPFEDSA-N 1 2 335.860 3.437 20 30 EGEDLO CCC(C#N)(CC)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000528424572 459807130 /nfs/dbraw/zinc/80/71/30/459807130.db2.gz KOBXHIFRKFRPTD-INIZCTEOSA-N 1 2 343.471 3.230 20 30 EGEDLO COc1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)c(F)c1 ZINC000597182454 459865001 /nfs/dbraw/zinc/86/50/01/459865001.db2.gz AYVZWLOZMHNKNO-UHFFFAOYSA-N 1 2 331.416 3.090 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(CCC#N)CC2)c(C#N)c1C ZINC000574807921 459874330 /nfs/dbraw/zinc/87/43/30/459874330.db2.gz IDESSSWZRNSQPX-ZDUSSCGKSA-N 1 2 328.416 3.111 20 30 EGEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000608783648 459882784 /nfs/dbraw/zinc/88/27/84/459882784.db2.gz ZZDVVPBTQUSFKP-UHFFFAOYSA-N 1 2 344.418 3.272 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)n1 ZINC000602432919 459935294 /nfs/dbraw/zinc/93/52/94/459935294.db2.gz JJFOPIJUFUGGCQ-UHFFFAOYSA-N 1 2 340.858 3.315 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)n1 ZINC000602432919 459935300 /nfs/dbraw/zinc/93/53/00/459935300.db2.gz JJFOPIJUFUGGCQ-UHFFFAOYSA-N 1 2 340.858 3.315 20 30 EGEDLO N#Cc1cccc(Oc2ccc(NC(=O)CCc3[nH]cc[nH+]3)cn2)c1 ZINC000588343225 459948607 /nfs/dbraw/zinc/94/86/07/459948607.db2.gz HHEZEDXGNWDJMB-UHFFFAOYSA-N 1 2 333.351 3.040 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc2c(cn1)OCCO2 ZINC000602482273 459959670 /nfs/dbraw/zinc/95/96/70/459959670.db2.gz IIPCVXZRUFPLRF-QZTJIDSGSA-N 1 2 335.407 3.125 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc2c(cn1)OCCO2 ZINC000602482273 459959674 /nfs/dbraw/zinc/95/96/74/459959674.db2.gz IIPCVXZRUFPLRF-QZTJIDSGSA-N 1 2 335.407 3.125 20 30 EGEDLO COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)[N@H+](C)C[C@@H](C)CCC#N ZINC000602482692 459962182 /nfs/dbraw/zinc/96/21/82/459962182.db2.gz PYFKJLHPGVOEGW-ZUZCIYMTSA-N 1 2 328.334 3.190 20 30 EGEDLO COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)[N@@H+](C)C[C@@H](C)CCC#N ZINC000602482692 459962188 /nfs/dbraw/zinc/96/21/88/459962188.db2.gz PYFKJLHPGVOEGW-ZUZCIYMTSA-N 1 2 328.334 3.190 20 30 EGEDLO COc1cc(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)ccc1SC ZINC000609485233 459969524 /nfs/dbraw/zinc/96/95/24/459969524.db2.gz LKZWRTSQTBWZFZ-INIZCTEOSA-N 1 2 333.501 3.083 20 30 EGEDLO C[NH+](C)[C@H](CNCc1cccc(C#N)n1)c1cccc(C(F)(F)F)c1 ZINC000602620325 460026005 /nfs/dbraw/zinc/02/60/05/460026005.db2.gz VFJOIFXLFGTFBT-QGZVFWFLSA-N 1 2 348.372 3.365 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)CCN1Cc1ccc(C#N)s1 ZINC000593965313 460030827 /nfs/dbraw/zinc/03/08/27/460030827.db2.gz DCQMMAPFXSJTQE-CYBMUJFWSA-N 1 2 342.493 3.259 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CCN1Cc1ccc(C#N)s1 ZINC000593965313 460030833 /nfs/dbraw/zinc/03/08/33/460030833.db2.gz DCQMMAPFXSJTQE-CYBMUJFWSA-N 1 2 342.493 3.259 20 30 EGEDLO C[C@@H]1CN(Cc2ccc(C#N)s2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC000593965313 460030838 /nfs/dbraw/zinc/03/08/38/460030838.db2.gz DCQMMAPFXSJTQE-CYBMUJFWSA-N 1 2 342.493 3.259 20 30 EGEDLO C[C@@H]1CN(Cc2ccc(C#N)s2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000593965313 460030842 /nfs/dbraw/zinc/03/08/42/460030842.db2.gz DCQMMAPFXSJTQE-CYBMUJFWSA-N 1 2 342.493 3.259 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)nc1 ZINC000593968325 460031836 /nfs/dbraw/zinc/03/18/36/460031836.db2.gz BMOKUCPQELZCOG-QGZVFWFLSA-N 1 2 345.349 3.128 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)nc1 ZINC000593968325 460031839 /nfs/dbraw/zinc/03/18/39/460031839.db2.gz BMOKUCPQELZCOG-QGZVFWFLSA-N 1 2 345.349 3.128 20 30 EGEDLO N#CCCN1CC[NH+](Cc2nc(-c3ccccc3Cl)cs2)CC1 ZINC000614176911 460039064 /nfs/dbraw/zinc/03/90/64/460039064.db2.gz AQSJBBQNFMFEAJ-UHFFFAOYSA-N 1 2 346.887 3.495 20 30 EGEDLO C[C@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000610004595 460048704 /nfs/dbraw/zinc/04/87/04/460048704.db2.gz PKVKAOYRYDVFJY-HNNXBMFYSA-N 1 2 343.446 3.430 20 30 EGEDLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000610004595 460048709 /nfs/dbraw/zinc/04/87/09/460048709.db2.gz PKVKAOYRYDVFJY-HNNXBMFYSA-N 1 2 343.446 3.430 20 30 EGEDLO N#CCN(Cc1cn2cc(Br)ccc2[nH+]1)C1CCCC1 ZINC000610003222 460049613 /nfs/dbraw/zinc/04/96/13/460049613.db2.gz XPAFAVYAHGNFJQ-UHFFFAOYSA-N 1 2 333.233 3.365 20 30 EGEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCC3(C#N)CCC3)c2C1 ZINC000576013419 460052871 /nfs/dbraw/zinc/05/28/71/460052871.db2.gz VUUNGECKWXGITO-UHFFFAOYSA-N 1 2 348.450 3.036 20 30 EGEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCC3(C#N)CCC3)c2C1 ZINC000576013419 460052875 /nfs/dbraw/zinc/05/28/75/460052875.db2.gz VUUNGECKWXGITO-UHFFFAOYSA-N 1 2 348.450 3.036 20 30 EGEDLO CCOCc1nc([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)no1 ZINC000589350456 460076848 /nfs/dbraw/zinc/07/68/48/460076848.db2.gz AXTGHZOPHUWZCR-MLGOLLRUSA-N 1 2 326.400 3.206 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)[C@H](C#N)CCc2ccccc2)CC1(C)C ZINC000576198111 460088591 /nfs/dbraw/zinc/08/85/91/460088591.db2.gz UCMDURZDKLARBF-IRXDYDNUSA-N 1 2 336.439 3.102 20 30 EGEDLO N#Cc1cc(N2CCC[C@H](n3cc[nH+]c3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000610276331 460102733 /nfs/dbraw/zinc/10/27/33/460102733.db2.gz MOXNUGFBLFSUGC-HNNXBMFYSA-N 1 2 348.366 3.053 20 30 EGEDLO CC(C)(C#N)c1ccc(C(=O)NCc2ccc[nH+]c2N2CCCC2)cc1 ZINC000597944879 460122098 /nfs/dbraw/zinc/12/20/98/460122098.db2.gz XDPQAAKBHYXCMQ-UHFFFAOYSA-N 1 2 348.450 3.413 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000576409420 460135668 /nfs/dbraw/zinc/13/56/68/460135668.db2.gz SDHGNLGDVLHVKV-QAPCUYQASA-N 1 2 345.443 3.375 20 30 EGEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000602867012 460165352 /nfs/dbraw/zinc/16/53/52/460165352.db2.gz BAOPGOWBGHPQOR-CVEARBPZSA-N 1 2 337.423 3.484 20 30 EGEDLO C[C@H](CC#N)[NH2+]CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000602870594 460165859 /nfs/dbraw/zinc/16/58/59/460165859.db2.gz USZXQQQOVUARIV-AUUYWEPGSA-N 1 2 341.842 3.437 20 30 EGEDLO Cc1sccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000603090108 460241195 /nfs/dbraw/zinc/24/11/95/460241195.db2.gz PQCCEJCEAUGCSR-UHFFFAOYSA-N 1 2 340.452 3.278 20 30 EGEDLO CC(C)C(NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000610908008 460258946 /nfs/dbraw/zinc/25/89/46/460258946.db2.gz HIDHMKDNOCYQKH-UHFFFAOYSA-N 1 2 342.487 3.066 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000615699441 460376660 /nfs/dbraw/zinc/37/66/60/460376660.db2.gz IQROWYNVYHNUSG-LLVKDONJSA-N 1 2 340.254 3.376 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000615699441 460376664 /nfs/dbraw/zinc/37/66/64/460376664.db2.gz IQROWYNVYHNUSG-LLVKDONJSA-N 1 2 340.254 3.376 20 30 EGEDLO Cc1cc(N2CCC[C@@]3(CC(=O)c4ccccc4O3)C2)c(C#N)c[nH+]1 ZINC000624535660 461045273 /nfs/dbraw/zinc/04/52/73/461045273.db2.gz RJPSBJAOAICKMF-HXUWFJFHSA-N 1 2 333.391 3.266 20 30 EGEDLO C=CCOc1c(Cl)cc(CN2CCn3c[nH+]cc3C2)cc1OC ZINC000628286191 461074362 /nfs/dbraw/zinc/07/43/62/461074362.db2.gz ZFXOKTJYPHPRBW-UHFFFAOYSA-N 1 2 333.819 3.126 20 30 EGEDLO C=CC[N@@H+](CC(=O)N(CC)c1nc2ccccc2s1)[C@H](C)COC ZINC000661241977 462166075 /nfs/dbraw/zinc/16/60/75/462166075.db2.gz FYZPRYRFXLGYAS-CQSZACIVSA-N 1 2 347.484 3.172 20 30 EGEDLO C=CC[N@H+](CC(=O)N(CC)c1nc2ccccc2s1)[C@H](C)COC ZINC000661241977 462166084 /nfs/dbraw/zinc/16/60/84/462166084.db2.gz FYZPRYRFXLGYAS-CQSZACIVSA-N 1 2 347.484 3.172 20 30 EGEDLO CC#CC[NH2+]Cc1cn(CCCOc2ccc3ccccc3c2)nn1 ZINC000641028008 462538244 /nfs/dbraw/zinc/53/82/44/462538244.db2.gz WQCHOTKHVXYRPN-UHFFFAOYSA-N 1 2 334.423 3.013 20 30 EGEDLO C#CCOc1ccccc1C[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000187656650 527124646 /nfs/dbraw/zinc/12/46/46/527124646.db2.gz FSHMYBHJQOHCBM-UHFFFAOYSA-N 1 2 325.330 3.042 20 30 EGEDLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3)c2C1 ZINC000171346364 528327903 /nfs/dbraw/zinc/32/79/03/528327903.db2.gz RCLQIGAKUUPJJG-UHFFFAOYSA-N 1 2 341.436 3.085 20 30 EGEDLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3)c2C1 ZINC000171346364 528327905 /nfs/dbraw/zinc/32/79/05/528327905.db2.gz RCLQIGAKUUPJJG-UHFFFAOYSA-N 1 2 341.436 3.085 20 30 EGEDLO C[C@H](NC(=O)C1CCCC1)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000328965307 547488403 /nfs/dbraw/zinc/48/84/03/547488403.db2.gz SBIUCKLUXNQBAZ-JTQLQIEISA-N 1 2 336.461 3.254 20 30 EGEDLO C[C@H](NC(=O)C1CCCC1)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000328965307 547488411 /nfs/dbraw/zinc/48/84/11/547488411.db2.gz SBIUCKLUXNQBAZ-JTQLQIEISA-N 1 2 336.461 3.254 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc(C)c(-c2ccccc2)s1 ZINC000730104884 574920049 /nfs/dbraw/zinc/92/00/49/574920049.db2.gz VXKLKSAZVWUDPB-HNNXBMFYSA-N 1 2 325.437 3.155 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc(C)c(-c2ccccc2)s1 ZINC000730104884 574920050 /nfs/dbraw/zinc/92/00/50/574920050.db2.gz VXKLKSAZVWUDPB-HNNXBMFYSA-N 1 2 325.437 3.155 20 30 EGEDLO C#CCOc1ccc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000731114472 575055456 /nfs/dbraw/zinc/05/54/56/575055456.db2.gz AXXJRQMGPBAXAV-QGZVFWFLSA-N 1 2 340.427 3.132 20 30 EGEDLO C=CCNC(=S)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000731944065 575221663 /nfs/dbraw/zinc/22/16/63/575221663.db2.gz QQNDGTGTRPPZAO-CQSZACIVSA-N 1 2 341.883 3.094 20 30 EGEDLO C=CCNC(=S)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000731944065 575221664 /nfs/dbraw/zinc/22/16/64/575221664.db2.gz QQNDGTGTRPPZAO-CQSZACIVSA-N 1 2 341.883 3.094 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](CC)C2CCC2)c1=S ZINC000738055859 576283213 /nfs/dbraw/zinc/28/32/13/576283213.db2.gz UPLGCDJGZQAHFH-UHFFFAOYSA-N 1 2 329.473 3.494 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](CC)C2CCC2)c1=S ZINC000738055859 576283216 /nfs/dbraw/zinc/28/32/16/576283216.db2.gz UPLGCDJGZQAHFH-UHFFFAOYSA-N 1 2 329.473 3.494 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+]2C[C@@H](C)C[C@H]2C)c1=S ZINC000740861432 576630973 /nfs/dbraw/zinc/63/09/73/576630973.db2.gz OALQPKLRPQXHQD-UONOGXRCSA-N 1 2 329.473 3.350 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+]2C[C@@H](C)C[C@H]2C)c1=S ZINC000740861432 576630975 /nfs/dbraw/zinc/63/09/75/576630975.db2.gz OALQPKLRPQXHQD-UONOGXRCSA-N 1 2 329.473 3.350 20 30 EGEDLO Cc1cccn2c(/C=C\C(=O)c3ccc4c(c3)CCC(=O)N4)c[nH+]c12 ZINC000741467421 576688646 /nfs/dbraw/zinc/68/86/46/576688646.db2.gz LGMSXZRPJWBCAO-VURMDHGXSA-N 1 2 331.375 3.424 20 30 EGEDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(C#N)ccc1F ZINC000742381660 576776566 /nfs/dbraw/zinc/77/65/66/576776566.db2.gz BIJZPGWOUXVCHM-UHFFFAOYSA-N 1 2 329.331 3.294 20 30 EGEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cn1nccc1-c1ccncc1 ZINC000067094643 1292147710 /nfs/dbraw/zinc/14/77/10/1292147710.db2.gz XOTKVXZNJIIJHL-UHFFFAOYSA-N 1 2 329.407 3.462 20 30 EGEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cn1nccc1-c1ccncc1 ZINC000067094643 1292147715 /nfs/dbraw/zinc/14/77/15/1292147715.db2.gz XOTKVXZNJIIJHL-UHFFFAOYSA-N 1 2 329.407 3.462 20 30 EGEDLO COc1ccc(C(N)=[NH+]OCc2cc(-c3cccs3)on2)cc1 ZINC000071965288 1292272020 /nfs/dbraw/zinc/27/20/20/1292272020.db2.gz BMDDFZSNFLRHJB-UHFFFAOYSA-N 1 2 329.381 3.249 20 30 EGEDLO Cc1ccc(C)c(NC(=O)CO[NH+]=C(N)Cc2ccc(Cl)cc2)c1 ZINC000106067467 1293048058 /nfs/dbraw/zinc/04/80/58/1293048058.db2.gz VHKYYANOGXPPQK-UHFFFAOYSA-N 1 2 345.830 3.427 20 30 EGEDLO CC[C@@](C)(C#N)C(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC000834644178 1293126671 /nfs/dbraw/zinc/12/66/71/1293126671.db2.gz IFUZRINUDRULPE-FQEVSTJZSA-N 1 2 336.439 3.144 20 30 EGEDLO CC1CC(C#N)(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)C1 ZINC000834649059 1293127970 /nfs/dbraw/zinc/12/79/70/1293127970.db2.gz VPADRZYJPSFJEB-UHFFFAOYSA-N 1 2 348.450 3.144 20 30 EGEDLO Cc1cc(C(N)=[NH+]OCc2nc(-c3ccccc3)no2)ccc1F ZINC000121068070 1293352792 /nfs/dbraw/zinc/35/27/92/1293352792.db2.gz ITBCPUXJMINLDR-UHFFFAOYSA-N 1 2 326.331 3.021 20 30 EGEDLO C#C[C@@H](C)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000235217060 1296183161 /nfs/dbraw/zinc/18/31/61/1296183161.db2.gz YRQDIPKXSRVEJI-SSDOTTSWSA-N 1 2 333.023 3.029 20 30 EGEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1cnn(Cc2ccccc2)c1 ZINC000255075892 1296496439 /nfs/dbraw/zinc/49/64/39/1296496439.db2.gz TZXHBUKWLMYQOT-KTKRTIGZSA-N 1 2 328.375 3.475 20 30 EGEDLO N#Cc1ccccc1/C=C\C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000255415354 1296530209 /nfs/dbraw/zinc/53/02/09/1296530209.db2.gz XJYBRGQJEMLMKX-HJWRWDBZSA-N 1 2 342.402 3.133 20 30 EGEDLO Oc1ccc(Br)cc1/C=N\[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000255592990 1296551522 /nfs/dbraw/zinc/55/15/22/1296551522.db2.gz UWDCXNHRXVLFDH-VAODSVERSA-N 1 2 346.228 3.248 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)c2ccc(F)cc2)C1 ZINC000586060692 1298046951 /nfs/dbraw/zinc/04/69/51/1298046951.db2.gz CLKMBBJDKDCIOC-LJQANCHMSA-N 1 2 337.398 3.092 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(F)cc2)C1 ZINC000586060692 1298046961 /nfs/dbraw/zinc/04/69/61/1298046961.db2.gz CLKMBBJDKDCIOC-LJQANCHMSA-N 1 2 337.398 3.092 20 30 EGEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2Cl)cc1C#N ZINC000749514794 1299229564 /nfs/dbraw/zinc/22/95/64/1299229564.db2.gz LSDSWABHNBIQFN-UHFFFAOYSA-N 1 2 343.814 3.291 20 30 EGEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2Cl)cc1C#N ZINC000749514794 1299229575 /nfs/dbraw/zinc/22/95/75/1299229575.db2.gz LSDSWABHNBIQFN-UHFFFAOYSA-N 1 2 343.814 3.291 20 30 EGEDLO Cc1ccc(NC(=O)NC2(c3cccc(C#N)c3)CC2)c(N(C)C)[nH+]1 ZINC000750391106 1299387253 /nfs/dbraw/zinc/38/72/53/1299387253.db2.gz VAFROBACYWRGNE-UHFFFAOYSA-N 1 2 335.411 3.139 20 30 EGEDLO C=CCOc1ccccc1CNC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000750400282 1299391059 /nfs/dbraw/zinc/39/10/59/1299391059.db2.gz YNQLZGPBSMLIOD-UHFFFAOYSA-N 1 2 340.427 3.343 20 30 EGEDLO COc1ccc(O)c(/C=[NH+]\CC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000750950263 1299487089 /nfs/dbraw/zinc/48/70/89/1299487089.db2.gz RQOGLYAXMDSILR-MOSHPQCFSA-N 1 2 348.443 3.467 20 30 EGEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCO[C@@H](C(C)(C)C)C1)c1ccccc1 ZINC000878532679 1300054402 /nfs/dbraw/zinc/05/44/02/1300054402.db2.gz YDNHZUGYKKULCC-QUCCMNQESA-N 1 2 328.456 3.174 20 30 EGEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCO[C@@H](C(C)(C)C)C1)c1ccccc1 ZINC000878532679 1300054413 /nfs/dbraw/zinc/05/44/13/1300054413.db2.gz YDNHZUGYKKULCC-QUCCMNQESA-N 1 2 328.456 3.174 20 30 EGEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)nc1C1CC1 ZINC000754793205 1300216555 /nfs/dbraw/zinc/21/65/55/1300216555.db2.gz DSYUXRAVJMCBPZ-MRXNPFEDSA-N 1 2 348.516 3.183 20 30 EGEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@@H](C3CCOCC3)C2)nc1C1CC1 ZINC000754793205 1300216560 /nfs/dbraw/zinc/21/65/60/1300216560.db2.gz DSYUXRAVJMCBPZ-MRXNPFEDSA-N 1 2 348.516 3.183 20 30 EGEDLO C#CC[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000757016234 1300612446 /nfs/dbraw/zinc/61/24/46/1300612446.db2.gz PACPOXMMPUBUIT-FQEVSTJZSA-N 1 2 344.418 3.436 20 30 EGEDLO CNC(=O)c1ccc(C[N@H+](Cc2cc(F)ccc2C#N)C2CC2)cc1 ZINC000759328891 1301066213 /nfs/dbraw/zinc/06/62/13/1301066213.db2.gz UIVQWUOEHWKYRR-UHFFFAOYSA-N 1 2 337.398 3.222 20 30 EGEDLO CNC(=O)c1ccc(C[N@@H+](Cc2cc(F)ccc2C#N)C2CC2)cc1 ZINC000759328891 1301066223 /nfs/dbraw/zinc/06/62/23/1301066223.db2.gz UIVQWUOEHWKYRR-UHFFFAOYSA-N 1 2 337.398 3.222 20 30 EGEDLO CON=Cc1ccc(-c2nc(Cc3cn4cccc(C)c4[nH+]3)no2)cc1 ZINC000761892420 1301562387 /nfs/dbraw/zinc/56/23/87/1301562387.db2.gz ZFNSUSGGZAZNQX-UHFFFAOYSA-N 1 2 347.378 3.264 20 30 EGEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@H](C3CC3)C2)nc1-c1ccccn1 ZINC000763334759 1301880168 /nfs/dbraw/zinc/88/01/68/1301880168.db2.gz VDJGRPLRARTQNY-HNNXBMFYSA-N 1 2 341.484 3.351 20 30 EGEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@H](C3CC3)C2)nc1-c1ccccn1 ZINC000763334759 1301880173 /nfs/dbraw/zinc/88/01/73/1301880173.db2.gz VDJGRPLRARTQNY-HNNXBMFYSA-N 1 2 341.484 3.351 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000764887125 1302158813 /nfs/dbraw/zinc/15/88/13/1302158813.db2.gz FTNDEBVGUOWNGC-OKNRGJIFSA-N 1 2 339.395 3.240 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000764887125 1302158817 /nfs/dbraw/zinc/15/88/17/1302158817.db2.gz FTNDEBVGUOWNGC-OKNRGJIFSA-N 1 2 339.395 3.240 20 30 EGEDLO C#C[C@@H](C)[N@H+](C)Cn1cc(Br)c(-c2ccc(F)cc2)n1 ZINC000766665441 1302498271 /nfs/dbraw/zinc/49/82/71/1302498271.db2.gz GJUZIOAXCBEIGL-LLVKDONJSA-N 1 2 336.208 3.363 20 30 EGEDLO C#C[C@@H](C)[N@@H+](C)Cn1cc(Br)c(-c2ccc(F)cc2)n1 ZINC000766665441 1302498274 /nfs/dbraw/zinc/49/82/74/1302498274.db2.gz GJUZIOAXCBEIGL-LLVKDONJSA-N 1 2 336.208 3.363 20 30 EGEDLO CC[N@H+](C)[C@H](C(=O)OCc1ccc(C#N)cc1OC)c1ccccc1 ZINC000766901341 1302543369 /nfs/dbraw/zinc/54/33/69/1302543369.db2.gz XGNHVGMGSAAQHC-IBGZPJMESA-N 1 2 338.407 3.303 20 30 EGEDLO CC[N@@H+](C)[C@H](C(=O)OCc1ccc(C#N)cc1OC)c1ccccc1 ZINC000766901341 1302543378 /nfs/dbraw/zinc/54/33/78/1302543378.db2.gz XGNHVGMGSAAQHC-IBGZPJMESA-N 1 2 338.407 3.303 20 30 EGEDLO C[C@H]1C[NH+](Cc2cc(C#N)cs2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000769386636 1303103203 /nfs/dbraw/zinc/10/32/03/1303103203.db2.gz CQFYGEZMYZRFQE-STQMWFEESA-N 1 2 335.473 3.449 20 30 EGEDLO O=[N+]([O-])c1cc(NN=Cc2ccc(-n3cc[nH+]c3)cc2)ccc1F ZINC000769823656 1303180794 /nfs/dbraw/zinc/18/07/94/1303180794.db2.gz ZOFQWSPASKYAPC-UHFFFAOYSA-N 1 2 325.303 3.366 20 30 EGEDLO C#C[C@@H](C)[N@H+](C)Cc1nnc(-c2ccc(Br)s2)o1 ZINC000769961012 1303198747 /nfs/dbraw/zinc/19/87/47/1303198747.db2.gz KVWNWBSXEPUPPO-MRVPVSSYSA-N 1 2 326.219 3.014 20 30 EGEDLO C#C[C@@H](C)[N@@H+](C)Cc1nnc(-c2ccc(Br)s2)o1 ZINC000769961012 1303198749 /nfs/dbraw/zinc/19/87/49/1303198749.db2.gz KVWNWBSXEPUPPO-MRVPVSSYSA-N 1 2 326.219 3.014 20 30 EGEDLO CC[N@H+](C)[C@@H](C(=O)OCc1cc(C#N)ccc1OC)c1ccccc1 ZINC000772275520 1303512302 /nfs/dbraw/zinc/51/23/02/1303512302.db2.gz KKIPDUHNJGIPBU-LJQANCHMSA-N 1 2 338.407 3.303 20 30 EGEDLO CC[N@@H+](C)[C@@H](C(=O)OCc1cc(C#N)ccc1OC)c1ccccc1 ZINC000772275520 1303512307 /nfs/dbraw/zinc/51/23/07/1303512307.db2.gz KKIPDUHNJGIPBU-LJQANCHMSA-N 1 2 338.407 3.303 20 30 EGEDLO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1=S ZINC000773268856 1303653061 /nfs/dbraw/zinc/65/30/61/1303653061.db2.gz XBGMWXGYKXCOQV-CVEARBPZSA-N 1 2 336.505 3.005 20 30 EGEDLO C=CCn1c(C)nn(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1=S ZINC000773268856 1303653068 /nfs/dbraw/zinc/65/30/68/1303653068.db2.gz XBGMWXGYKXCOQV-CVEARBPZSA-N 1 2 336.505 3.005 20 30 EGEDLO C#CCOc1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000775941301 1304066485 /nfs/dbraw/zinc/06/64/85/1304066485.db2.gz ZSIRIWMSNBEMET-UHFFFAOYSA-N 1 2 331.375 3.196 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)CN1CC[C@@](C)(c2ccccc2)C1=O ZINC000780448574 1304694820 /nfs/dbraw/zinc/69/48/20/1304694820.db2.gz QEEICVIGCDBCAG-NRFANRHFSA-N 1 2 338.451 3.458 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)CN1CC[C@@](C)(c2ccccc2)C1=O ZINC000780448574 1304694823 /nfs/dbraw/zinc/69/48/23/1304694823.db2.gz QEEICVIGCDBCAG-NRFANRHFSA-N 1 2 338.451 3.458 20 30 EGEDLO Cn1cc[nH+]c1NN=Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000790302227 1306294709 /nfs/dbraw/zinc/29/47/09/1306294709.db2.gz JVKJMMQJCXJPBN-UHFFFAOYSA-N 1 2 334.305 3.071 20 30 EGEDLO C=CCOc1cccnc1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791438704 1308995898 /nfs/dbraw/zinc/99/58/98/1308995898.db2.gz FCGMVOQNSNEOGF-UHFFFAOYSA-N 1 2 349.390 3.498 20 30 EGEDLO C#CC[N@@H+](C)CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000792305812 1309158115 /nfs/dbraw/zinc/15/81/15/1309158115.db2.gz JXZVRLGHNZGQFD-HNNXBMFYSA-N 1 2 325.239 3.222 20 30 EGEDLO C#CC[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000792305812 1309158122 /nfs/dbraw/zinc/15/81/22/1309158122.db2.gz JXZVRLGHNZGQFD-HNNXBMFYSA-N 1 2 325.239 3.222 20 30 EGEDLO C=CC[N@H+](Cn1c2cc(Br)c(F)cc2oc1=O)C(C)C ZINC000792704620 1309212575 /nfs/dbraw/zinc/21/25/75/1309212575.db2.gz DPFJMNGCWQCUMN-UHFFFAOYSA-N 1 2 343.196 3.350 20 30 EGEDLO C=CC[N@@H+](Cn1c2cc(Br)c(F)cc2oc1=O)C(C)C ZINC000792704620 1309212582 /nfs/dbraw/zinc/21/25/82/1309212582.db2.gz DPFJMNGCWQCUMN-UHFFFAOYSA-N 1 2 343.196 3.350 20 30 EGEDLO Cc1cccc([C@@H]2CCC[N@@H+]2Cn2cc3c(c(C#N)c2=O)CCCC3)n1 ZINC000793506176 1309386602 /nfs/dbraw/zinc/38/66/02/1309386602.db2.gz SZUVJRMUJWQBLQ-FQEVSTJZSA-N 1 2 348.450 3.097 20 30 EGEDLO Cc1cccc([C@@H]2CCC[N@H+]2Cn2cc3c(c(C#N)c2=O)CCCC3)n1 ZINC000793506176 1309386608 /nfs/dbraw/zinc/38/66/08/1309386608.db2.gz SZUVJRMUJWQBLQ-FQEVSTJZSA-N 1 2 348.450 3.097 20 30 EGEDLO O=[N+]([O-])c1cc(C=[NH+]OCc2cncc(F)c2)ccc1N1CCCC1 ZINC000794883404 1309615018 /nfs/dbraw/zinc/61/50/18/1309615018.db2.gz GMESTPGBEBEVTJ-UHFFFAOYSA-N 1 2 344.346 3.280 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000796384639 1309986153 /nfs/dbraw/zinc/98/61/53/1309986153.db2.gz ORHRSWUDHOQFIC-UHFFFAOYSA-N 1 2 334.347 3.398 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000796384639 1309986161 /nfs/dbraw/zinc/98/61/61/1309986161.db2.gz ORHRSWUDHOQFIC-UHFFFAOYSA-N 1 2 334.347 3.398 20 30 EGEDLO CN(c1ccccc1)c1ccc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)cn1 ZINC000797785953 1310247218 /nfs/dbraw/zinc/24/72/18/1310247218.db2.gz AFQJYWUPWROAKC-ROUUACIJSA-N 1 2 348.454 3.043 20 30 EGEDLO C#Cc1cncc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)c1 ZINC000798155818 1310306223 /nfs/dbraw/zinc/30/62/23/1310306223.db2.gz HTNVWXJPMAGEPX-CYBMUJFWSA-N 1 2 340.452 3.004 20 30 EGEDLO C#Cc1cncc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)c1 ZINC000798155818 1310306227 /nfs/dbraw/zinc/30/62/27/1310306227.db2.gz HTNVWXJPMAGEPX-CYBMUJFWSA-N 1 2 340.452 3.004 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](c3ccccn3)C2)c(C#N)c1C ZINC000799194504 1310509543 /nfs/dbraw/zinc/50/95/43/1310509543.db2.gz SGVZCRWBXNYJFN-AWEZNQCLSA-N 1 2 340.452 3.060 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](c3ccccn3)C2)c(C#N)c1C ZINC000799194504 1310509546 /nfs/dbraw/zinc/50/95/46/1310509546.db2.gz SGVZCRWBXNYJFN-AWEZNQCLSA-N 1 2 340.452 3.060 20 30 EGEDLO C=CCOc1ccccc1C[N@@H+]1CCn2ncc(Br)c2C1 ZINC000827446091 1320453341 /nfs/dbraw/zinc/45/33/41/1320453341.db2.gz KSKZSCLLQUCKTA-UHFFFAOYSA-N 1 2 348.244 3.226 20 30 EGEDLO C=CCOc1ccccc1C[N@H+]1CCn2ncc(Br)c2C1 ZINC000827446091 1320453347 /nfs/dbraw/zinc/45/33/47/1320453347.db2.gz KSKZSCLLQUCKTA-UHFFFAOYSA-N 1 2 348.244 3.226 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H]([NH2+]Cc3ncc(C(C)C)o3)C2)CC1 ZINC001019327752 1317170825 /nfs/dbraw/zinc/17/08/25/1317170825.db2.gz RLHIRAGYWDYCEO-INIZCTEOSA-N 1 2 331.460 3.235 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2coc(C3CCCCC3)n2)C1 ZINC000957442711 1317364357 /nfs/dbraw/zinc/36/43/57/1317364357.db2.gz IQOTYBGMVNWNIP-UHFFFAOYSA-N 1 2 331.460 3.445 20 30 EGEDLO C#CCN(Cc1ccccc1)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000806641252 1317515442 /nfs/dbraw/zinc/51/54/42/1317515442.db2.gz JQBAGBLFDZJTBS-UHFFFAOYSA-N 1 2 337.423 3.052 20 30 EGEDLO C#C[C@@H](NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)C(C)(C)C ZINC000808314058 1317660404 /nfs/dbraw/zinc/66/04/04/1317660404.db2.gz LPKMQEMBQGQCGG-IAGOWNOFSA-N 1 2 338.455 3.051 20 30 EGEDLO N#Cc1ccncc1C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000808816100 1317738665 /nfs/dbraw/zinc/73/86/65/1317738665.db2.gz YXWORSSWNHAMAC-UHFFFAOYSA-N 1 2 344.374 3.372 20 30 EGEDLO C=CC(C)(C)Cc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000904497515 1317854203 /nfs/dbraw/zinc/85/42/03/1317854203.db2.gz DKDVHBJHMADGPE-UHFFFAOYSA-N 1 2 327.428 3.324 20 30 EGEDLO Cc1nonc1C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000809744398 1317887582 /nfs/dbraw/zinc/88/75/82/1317887582.db2.gz JQJWITMEGCAKFI-UHFFFAOYSA-N 1 2 334.379 3.119 20 30 EGEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2ccc(F)cc2)cc1 ZINC000905557897 1317968263 /nfs/dbraw/zinc/96/82/63/1317968263.db2.gz QXLYBPVQPFDTON-QGZVFWFLSA-N 1 2 343.402 3.236 20 30 EGEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2ccc(F)cc2)cc1 ZINC000905557897 1317968268 /nfs/dbraw/zinc/96/82/68/1317968268.db2.gz QXLYBPVQPFDTON-QGZVFWFLSA-N 1 2 343.402 3.236 20 30 EGEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)c1c(C)cc(C)[nH+]c1C ZINC000906004817 1318027206 /nfs/dbraw/zinc/02/72/06/1318027206.db2.gz WTLRJOSPAHVTOU-UHFFFAOYSA-N 1 2 337.423 3.167 20 30 EGEDLO C=CC[N@@H+](CCc1ccccc1)CN1C(=O)C(C)(C)[C@H]1[C@H]1CCCO1 ZINC000811737615 1318245868 /nfs/dbraw/zinc/24/58/68/1318245868.db2.gz OWHHHSALXDXCGF-RTBURBONSA-N 1 2 342.483 3.091 20 30 EGEDLO C=CC[N@H+](CCc1ccccc1)CN1C(=O)C(C)(C)[C@H]1[C@H]1CCCO1 ZINC000811737615 1318245878 /nfs/dbraw/zinc/24/58/78/1318245878.db2.gz OWHHHSALXDXCGF-RTBURBONSA-N 1 2 342.483 3.091 20 30 EGEDLO CC[C@@](C)(C#N)C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907816792 1318268883 /nfs/dbraw/zinc/26/88/83/1318268883.db2.gz XUSIVQUMWCZKGL-KUHUBIRLSA-N 1 2 328.460 3.371 20 30 EGEDLO CC[C@@](C)(C#N)C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907816792 1318268891 /nfs/dbraw/zinc/26/88/91/1318268891.db2.gz XUSIVQUMWCZKGL-KUHUBIRLSA-N 1 2 328.460 3.371 20 30 EGEDLO C=CCCCCCCCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000811897773 1318287351 /nfs/dbraw/zinc/28/73/51/1318287351.db2.gz HHPULKIBXINGTB-KRWDZBQOSA-N 1 2 330.476 3.486 20 30 EGEDLO C=CCn1c([C@H](C)CC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000908665708 1318385685 /nfs/dbraw/zinc/38/56/85/1318385685.db2.gz WEXAHUMZWHHRIY-OAHLLOKOSA-N 1 2 340.475 3.454 20 30 EGEDLO Nc1nc2c(s1)C(=[NH+][N-]c1[nH]c3cc(F)c(F)cc3[nH+]1)CCC2 ZINC000814795807 1318818348 /nfs/dbraw/zinc/81/83/48/1318818348.db2.gz HHNWENBFSLDDTE-UHFFFAOYSA-N 1 2 334.355 3.032 20 30 EGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cn(-c2ccccc2)nn1 ZINC000814841311 1318829810 /nfs/dbraw/zinc/82/98/10/1318829810.db2.gz LKGYBYJOBZRSLJ-UHFFFAOYSA-N 1 2 328.379 3.074 20 30 EGEDLO Cc1cc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1N(C)C ZINC000815013362 1318865868 /nfs/dbraw/zinc/86/58/68/1318865868.db2.gz NUEGETYIAIPDRZ-UHFFFAOYSA-N 1 2 348.494 3.251 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@@H](O)c3cc4ccccc4o3)CCO2)c1 ZINC000815078444 1318884630 /nfs/dbraw/zinc/88/46/30/1318884630.db2.gz YZCIEUQWRSAFOL-WIYYLYMNSA-N 1 2 348.402 3.411 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@@H](O)c3cc4ccccc4o3)CCO2)c1 ZINC000815078444 1318884639 /nfs/dbraw/zinc/88/46/39/1318884639.db2.gz YZCIEUQWRSAFOL-WIYYLYMNSA-N 1 2 348.402 3.411 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nc(C)c(C)o1 ZINC000960789836 1318893873 /nfs/dbraw/zinc/89/38/73/1318893873.db2.gz YPXBFMMJNNOQKI-INIZCTEOSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1nc(C)c(C)o1 ZINC000960789836 1318893878 /nfs/dbraw/zinc/89/38/78/1318893878.db2.gz YPXBFMMJNNOQKI-INIZCTEOSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccn(C(C)C)n1 ZINC000960828024 1318956205 /nfs/dbraw/zinc/95/62/05/1318956205.db2.gz PKQDERVTAQICCT-QUCCMNQESA-N 1 2 346.519 3.489 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccn(C(C)C)n1 ZINC000960828024 1318956221 /nfs/dbraw/zinc/95/62/21/1318956221.db2.gz PKQDERVTAQICCT-QUCCMNQESA-N 1 2 346.519 3.489 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2cc(C)on2)CC1 ZINC000960839675 1318972616 /nfs/dbraw/zinc/97/26/16/1318972616.db2.gz SFTRALFOCROWAU-SFHVURJKSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2cc(C)on2)CC1 ZINC000960839675 1318972637 /nfs/dbraw/zinc/97/26/37/1318972637.db2.gz SFTRALFOCROWAU-SFHVURJKSA-N 1 2 331.460 3.152 20 30 EGEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C2CCCCCC2)CC1=O ZINC000914596603 1319353342 /nfs/dbraw/zinc/35/33/42/1319353342.db2.gz UEAXAUNNQXFLFX-UHFFFAOYSA-N 1 2 338.455 3.369 20 30 EGEDLO CCc1ccccc1N[NH+]=Cc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000915051649 1319415329 /nfs/dbraw/zinc/41/53/29/1319415329.db2.gz LJRWCFOWLVPAGW-UHFFFAOYSA-N 1 2 334.423 3.493 20 30 EGEDLO C=CCc1cc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc(OC)c1OC ZINC000817908914 1319458519 /nfs/dbraw/zinc/45/85/19/1319458519.db2.gz JGFINJDCGBPSAW-ZDUSSCGKSA-N 1 2 327.428 3.091 20 30 EGEDLO C=CCc1cc(CN[C@@H](C)c2c[nH+]ccc2N)cc(OC)c1OC ZINC000817908914 1319458530 /nfs/dbraw/zinc/45/85/30/1319458530.db2.gz JGFINJDCGBPSAW-ZDUSSCGKSA-N 1 2 327.428 3.091 20 30 EGEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)nn1 ZINC000818346439 1319534346 /nfs/dbraw/zinc/53/43/46/1319534346.db2.gz FFMVIDVJXHQZQH-JTQLQIEISA-N 1 2 326.322 3.039 20 30 EGEDLO C=CC[N@H+](Cc1nnnn1-c1ccc(C(F)(F)F)cc1)C(C)C ZINC000917405381 1319801751 /nfs/dbraw/zinc/80/17/51/1319801751.db2.gz NZTVAVFXLGUUEQ-UHFFFAOYSA-N 1 2 325.338 3.078 20 30 EGEDLO C=CC[N@@H+](Cc1nnnn1-c1ccc(C(F)(F)F)cc1)C(C)C ZINC000917405381 1319801763 /nfs/dbraw/zinc/80/17/63/1319801763.db2.gz NZTVAVFXLGUUEQ-UHFFFAOYSA-N 1 2 325.338 3.078 20 30 EGEDLO CC[NH+](CC)Cc1csc(NC(=O)c2ncc(C#N)cc2Cl)n1 ZINC000822702320 1320115078 /nfs/dbraw/zinc/11/50/78/1320115078.db2.gz WOXKLOMZAZBKRY-UHFFFAOYSA-N 1 2 349.847 3.157 20 30 EGEDLO C#CCCOc1ccc(C(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000822887674 1320133943 /nfs/dbraw/zinc/13/39/43/1320133943.db2.gz IQQXMWXIUSEDSY-UHFFFAOYSA-N 1 2 338.407 3.039 20 30 EGEDLO Cc1ccn(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2C)c(=O)c1C#N ZINC000840149595 1321039302 /nfs/dbraw/zinc/03/93/02/1321039302.db2.gz OMGPYDMJMYUUTR-GOSISDBHSA-N 1 2 325.387 3.271 20 30 EGEDLO Cc1ccn(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2C)c(=O)c1C#N ZINC000840149595 1321039307 /nfs/dbraw/zinc/03/93/07/1321039307.db2.gz OMGPYDMJMYUUTR-GOSISDBHSA-N 1 2 325.387 3.271 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844451912 1321607989 /nfs/dbraw/zinc/60/79/89/1321607989.db2.gz BBNNEPBBBSLGSL-BHYGNILZSA-N 1 2 347.409 3.136 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844451912 1321607993 /nfs/dbraw/zinc/60/79/93/1321607993.db2.gz BBNNEPBBBSLGSL-BHYGNILZSA-N 1 2 347.409 3.136 20 30 EGEDLO CCOCN(C(=O)C[NH2+][C@H](CC)CC#N)c1c(C)cccc1CC ZINC000846980762 1321830406 /nfs/dbraw/zinc/83/04/06/1321830406.db2.gz IPWNMQYJMZMJIW-QGZVFWFLSA-N 1 2 331.460 3.166 20 30 EGEDLO C=CCOc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000921153933 1322265328 /nfs/dbraw/zinc/26/53/28/1322265328.db2.gz XXHJLFLNMIZYMD-UHFFFAOYSA-N 1 2 333.391 3.367 20 30 EGEDLO CN(C)c1cccc(C[NH2+]Cc2cc(C#N)ccc2Br)n1 ZINC000921932517 1322424963 /nfs/dbraw/zinc/42/49/63/1322424963.db2.gz QFAJNIZWBDBTCE-UHFFFAOYSA-N 1 2 345.244 3.072 20 30 EGEDLO N#Cc1ccc(C(=O)OCC2CCN(c3cccc[nH+]3)CC2)s1 ZINC000851399529 1323031666 /nfs/dbraw/zinc/03/16/66/1323031666.db2.gz WPSFMEIGDCPDSR-UHFFFAOYSA-N 1 2 327.409 3.088 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1CCCC1 ZINC001024298462 1323276674 /nfs/dbraw/zinc/27/66/74/1323276674.db2.gz AHDITCUELBXPSA-CQSZACIVSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)C1CCCC1 ZINC001024298462 1323276687 /nfs/dbraw/zinc/27/66/87/1323276687.db2.gz AHDITCUELBXPSA-CQSZACIVSA-N 1 2 329.282 3.056 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccsc1 ZINC001024319932 1323304880 /nfs/dbraw/zinc/30/48/80/1323304880.db2.gz PBFCHGAOTITKFJ-GOSISDBHSA-N 1 2 339.464 3.404 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccsc1 ZINC001024319932 1323304886 /nfs/dbraw/zinc/30/48/86/1323304886.db2.gz PBFCHGAOTITKFJ-GOSISDBHSA-N 1 2 339.464 3.404 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2c(o1)CCCC2 ZINC001024479098 1323432105 /nfs/dbraw/zinc/43/21/05/1323432105.db2.gz ZDSGOOCVAULIKF-OAHLLOKOSA-N 1 2 336.863 3.495 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc2c(o1)CCCC2 ZINC001024479098 1323432113 /nfs/dbraw/zinc/43/21/13/1323432113.db2.gz ZDSGOOCVAULIKF-OAHLLOKOSA-N 1 2 336.863 3.495 20 30 EGEDLO Cc1coc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)c1 ZINC001024612489 1323538677 /nfs/dbraw/zinc/53/86/77/1323538677.db2.gz OJTDTGHBLRZORQ-SFHVURJKSA-N 1 2 337.423 3.244 20 30 EGEDLO Cc1coc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)c1 ZINC001024612489 1323538681 /nfs/dbraw/zinc/53/86/81/1323538681.db2.gz OJTDTGHBLRZORQ-SFHVURJKSA-N 1 2 337.423 3.244 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cc(C)on2)CC1 ZINC001024634175 1323560003 /nfs/dbraw/zinc/56/00/03/1323560003.db2.gz SCCZZQTUCKBQLG-GOSISDBHSA-N 1 2 331.460 3.200 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cc(C)on2)CC1 ZINC001024634175 1323560010 /nfs/dbraw/zinc/56/00/10/1323560010.db2.gz SCCZZQTUCKBQLG-GOSISDBHSA-N 1 2 331.460 3.200 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(OCC)cc1 ZINC001024780655 1323683315 /nfs/dbraw/zinc/68/33/15/1323683315.db2.gz ABWXIBVZDAXNNV-MRXNPFEDSA-N 1 2 336.863 3.422 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(OCC)cc1 ZINC001024780655 1323683322 /nfs/dbraw/zinc/68/33/22/1323683322.db2.gz ABWXIBVZDAXNNV-MRXNPFEDSA-N 1 2 336.863 3.422 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1Cc2cccc(C)c2O1 ZINC001024830523 1323733843 /nfs/dbraw/zinc/73/38/43/1323733843.db2.gz SQQONVXWTDVCBS-IAGOWNOFSA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1Cc2cccc(C)c2O1 ZINC001024830523 1323733848 /nfs/dbraw/zinc/73/38/48/1323733848.db2.gz SQQONVXWTDVCBS-IAGOWNOFSA-N 1 2 348.874 3.022 20 30 EGEDLO Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1C=[NH+]N1CCCC[C@H]1C ZINC000853380126 1325087636 /nfs/dbraw/zinc/08/76/36/1325087636.db2.gz NSLZKKFPYNWLAX-CYBMUJFWSA-N 1 2 347.422 3.169 20 30 EGEDLO Cn1c(CC#N)nn(C[N@@H+]2CCC[C@@H](C3CCCCC3)C2)c1=S ZINC000853610652 1325132945 /nfs/dbraw/zinc/13/29/45/1325132945.db2.gz SJLNLYGJIAIKCK-OAHLLOKOSA-N 1 2 333.505 3.267 20 30 EGEDLO Cn1c(CC#N)nn(C[N@H+]2CCC[C@@H](C3CCCCC3)C2)c1=S ZINC000853610652 1325132949 /nfs/dbraw/zinc/13/29/49/1325132949.db2.gz SJLNLYGJIAIKCK-OAHLLOKOSA-N 1 2 333.505 3.267 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)C(F)=C(C)C)C1 ZINC001027364639 1325552865 /nfs/dbraw/zinc/55/28/65/1325552865.db2.gz GSWBPHLJMMAPKJ-LBPRGKRZSA-N 1 2 333.245 3.081 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)C(F)=C(C)C)C1 ZINC001027364639 1325552871 /nfs/dbraw/zinc/55/28/71/1325552871.db2.gz GSWBPHLJMMAPKJ-LBPRGKRZSA-N 1 2 333.245 3.081 20 30 EGEDLO C[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)c1cccs1 ZINC000964808034 1327702729 /nfs/dbraw/zinc/70/27/29/1327702729.db2.gz RCDSNHRTWQSBLA-PBHICJAKSA-N 1 2 339.464 3.260 20 30 EGEDLO C[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)c1cccs1 ZINC000964808034 1327702737 /nfs/dbraw/zinc/70/27/37/1327702737.db2.gz RCDSNHRTWQSBLA-PBHICJAKSA-N 1 2 339.464 3.260 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)[C@@H](C)c2nc(C3CC3)no2)C1 ZINC001027521180 1327792207 /nfs/dbraw/zinc/79/22/07/1327792207.db2.gz ZMVQKWKCMJKQQJ-DZGCQCFKSA-N 1 2 346.475 3.143 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)[C@@H](C)c2nc(C3CC3)no2)C1 ZINC001027521180 1327792215 /nfs/dbraw/zinc/79/22/15/1327792215.db2.gz ZMVQKWKCMJKQQJ-DZGCQCFKSA-N 1 2 346.475 3.143 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)[C@H](C)c2nnc(C)s2)C1 ZINC001027525652 1327800590 /nfs/dbraw/zinc/80/05/90/1327800590.db2.gz XSUKRXFWIGPRDN-TZMCWYRMSA-N 1 2 336.505 3.043 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)[C@H](C)c2nnc(C)s2)C1 ZINC001027525652 1327800597 /nfs/dbraw/zinc/80/05/97/1327800597.db2.gz XSUKRXFWIGPRDN-TZMCWYRMSA-N 1 2 336.505 3.043 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc2scnc21 ZINC001027882607 1328349111 /nfs/dbraw/zinc/34/91/11/1328349111.db2.gz SURKFPPMNWRYAH-GFCCVEGCSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc2scnc21 ZINC001027882607 1328349115 /nfs/dbraw/zinc/34/91/15/1328349115.db2.gz SURKFPPMNWRYAH-GFCCVEGCSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2nccc3ccsc32)C1 ZINC000966839653 1328435698 /nfs/dbraw/zinc/43/56/98/1328435698.db2.gz DGBQXHCMJLHIOA-SMDDNHRTSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2nccc3ccsc32)C1 ZINC000966839653 1328435701 /nfs/dbraw/zinc/43/57/01/1328435701.db2.gz DGBQXHCMJLHIOA-SMDDNHRTSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1COc2cc(C)c(C)cc21 ZINC001028048203 1328513955 /nfs/dbraw/zinc/51/39/55/1328513955.db2.gz AEKHTPNPCTVMHR-RDJZCZTQSA-N 1 2 348.874 3.113 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1COc2cc(C)c(C)cc21 ZINC001028048203 1328513963 /nfs/dbraw/zinc/51/39/63/1328513963.db2.gz AEKHTPNPCTVMHR-RDJZCZTQSA-N 1 2 348.874 3.113 20 30 EGEDLO C=CCCn1cc(C[NH+]2CCC(c3nc4c(s3)CCC4)CC2)nn1 ZINC000932620781 1329828381 /nfs/dbraw/zinc/82/83/81/1329828381.db2.gz PEIIPOKBHPWBQT-UHFFFAOYSA-N 1 2 343.500 3.179 20 30 EGEDLO C=C(C)c1cccc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c1 ZINC000934883782 1330014848 /nfs/dbraw/zinc/01/48/48/1330014848.db2.gz ZUDUDGHDIYTRLD-QAPCUYQASA-N 1 2 329.444 3.047 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC2(C)C)C(C)(C)C1 ZINC000940663952 1331148694 /nfs/dbraw/zinc/14/86/94/1331148694.db2.gz FXTWEIIFPSASRS-CHWSQXEVSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC2(C)C)C(C)(C)C1 ZINC000940663952 1331148695 /nfs/dbraw/zinc/14/86/95/1331148695.db2.gz FXTWEIIFPSASRS-CHWSQXEVSA-N 1 2 343.309 3.158 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)C2=CCCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947185437 1333040988 /nfs/dbraw/zinc/04/09/88/1333040988.db2.gz MJNDVCORWYLMDT-KUHUBIRLSA-N 1 2 341.430 3.277 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)C2=CCCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947185437 1333040992 /nfs/dbraw/zinc/04/09/92/1333040992.db2.gz MJNDVCORWYLMDT-KUHUBIRLSA-N 1 2 341.430 3.277 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3nnc(C)s3)[C@@H](C)C2)CC1 ZINC000947684125 1333221551 /nfs/dbraw/zinc/22/15/51/1333221551.db2.gz GBCFGTHGYSHQFB-XJKSGUPXSA-N 1 2 348.516 3.062 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3nnc(C)s3)[C@@H](C)C2)CC1 ZINC000947684125 1333221553 /nfs/dbraw/zinc/22/15/53/1333221553.db2.gz GBCFGTHGYSHQFB-XJKSGUPXSA-N 1 2 348.516 3.062 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC000948934990 1333739678 /nfs/dbraw/zinc/73/96/78/1333739678.db2.gz BDWWUASMRDCANN-HXUWFJFHSA-N 1 2 336.479 3.306 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC000948934990 1333739680 /nfs/dbraw/zinc/73/96/80/1333739680.db2.gz BDWWUASMRDCANN-HXUWFJFHSA-N 1 2 336.479 3.306 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1c(C)cncc1C ZINC000948936203 1333740305 /nfs/dbraw/zinc/74/03/05/1333740305.db2.gz MSEQDRKGEOGGMP-HXUWFJFHSA-N 1 2 347.462 3.051 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1c(C)cncc1C ZINC000948936203 1333740308 /nfs/dbraw/zinc/74/03/08/1333740308.db2.gz MSEQDRKGEOGGMP-HXUWFJFHSA-N 1 2 347.462 3.051 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C)c(C)cn1 ZINC000948941161 1333742703 /nfs/dbraw/zinc/74/27/03/1333742703.db2.gz UKSFORKMWFMQDK-OAQYLSRUSA-N 1 2 347.462 3.051 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C)c(C)cn1 ZINC000948941161 1333742706 /nfs/dbraw/zinc/74/27/06/1333742706.db2.gz UKSFORKMWFMQDK-OAQYLSRUSA-N 1 2 347.462 3.051 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ocnc1C(F)F ZINC000948962840 1333749462 /nfs/dbraw/zinc/74/94/62/1333749462.db2.gz RPKUVFXWBNTYIB-AWEZNQCLSA-N 1 2 347.365 3.127 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ocnc1C(F)F ZINC000948962840 1333749464 /nfs/dbraw/zinc/74/94/64/1333749464.db2.gz RPKUVFXWBNTYIB-AWEZNQCLSA-N 1 2 347.365 3.127 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1oc(CC)cc1C ZINC000948978675 1333754982 /nfs/dbraw/zinc/75/49/82/1333754982.db2.gz NOWURGLFNMFEBN-IBGZPJMESA-N 1 2 336.435 3.113 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1oc(CC)cc1C ZINC000948978675 1333754983 /nfs/dbraw/zinc/75/49/83/1333754983.db2.gz NOWURGLFNMFEBN-IBGZPJMESA-N 1 2 336.435 3.113 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C12CCC(CC1)CC2 ZINC000948986650 1333760721 /nfs/dbraw/zinc/76/07/21/1333760721.db2.gz NOMVMYPCILSYRE-LVKMRUPZSA-N 1 2 336.479 3.306 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C12CCC(CC1)CC2 ZINC000948986650 1333760723 /nfs/dbraw/zinc/76/07/23/1333760723.db2.gz NOMVMYPCILSYRE-LVKMRUPZSA-N 1 2 336.479 3.306 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC2(CC1)C[N@H+](C/C=C/Cl)CCO2 ZINC000949462775 1333853358 /nfs/dbraw/zinc/85/33/58/1333853358.db2.gz JEHXIUTWNKFVOB-RCMYXZNBSA-N 1 2 340.895 3.035 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC2(CC1)C[N@@H+](C/C=C/Cl)CCO2 ZINC000949462775 1333853360 /nfs/dbraw/zinc/85/33/60/1333853360.db2.gz JEHXIUTWNKFVOB-RCMYXZNBSA-N 1 2 340.895 3.035 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](CCOc2cc(C)ccc2C)CC1 ZINC000950051500 1334003134 /nfs/dbraw/zinc/00/31/34/1334003134.db2.gz NZCKJABUPSGOIM-NRFANRHFSA-N 1 2 344.499 3.429 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(Cl)sc2Cl)C1 ZINC000950512369 1334083923 /nfs/dbraw/zinc/08/39/23/1334083923.db2.gz FKXCCBFSRRKSAM-UHFFFAOYSA-N 1 2 331.268 3.225 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000950618549 1334097571 /nfs/dbraw/zinc/09/75/71/1334097571.db2.gz GIKNISBLIFXZLE-CABCVRRESA-N 1 2 332.410 3.464 20 30 EGEDLO C=C1CCC(C(=O)N(CC)C2C[NH+](Cc3ccc(OC)cc3)C2)CC1 ZINC000951620196 1334280804 /nfs/dbraw/zinc/28/08/04/1334280804.db2.gz WRMZYXSYISAMGT-UHFFFAOYSA-N 1 2 342.483 3.474 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC(C)(C)C ZINC001114044101 1369700512 /nfs/dbraw/zinc/70/05/12/1369700512.db2.gz ANOCGNFALQXYPD-NHAGDIPZSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC(C)(C)C ZINC001114044101 1369700514 /nfs/dbraw/zinc/70/05/14/1369700514.db2.gz ANOCGNFALQXYPD-NHAGDIPZSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](Cc3ccc(Cl)nc3)CC[C@@H]2C)C1 ZINC000968212909 1335872920 /nfs/dbraw/zinc/87/29/20/1335872920.db2.gz OBBKTTONYWCKFM-HOCLYGCPSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](Cc3ccc(Cl)nc3)CC[C@@H]2C)C1 ZINC000968212909 1335872925 /nfs/dbraw/zinc/87/29/25/1335872925.db2.gz OBBKTTONYWCKFM-HOCLYGCPSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3nc(C)sc3C)CC[C@@H]2C)C1 ZINC000968273693 1335882399 /nfs/dbraw/zinc/88/23/99/1335882399.db2.gz IQTLSPONZVNXJD-XJKSGUPXSA-N 1 2 347.528 3.443 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3nc(C)sc3C)CC[C@@H]2C)C1 ZINC000968273693 1335882400 /nfs/dbraw/zinc/88/24/00/1335882400.db2.gz IQTLSPONZVNXJD-XJKSGUPXSA-N 1 2 347.528 3.443 20 30 EGEDLO Cc1cc(NCC[C@H]2CCCCN2C(=O)[C@@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001063822454 1352028368 /nfs/dbraw/zinc/02/83/68/1352028368.db2.gz BCRJARTVLONLID-GOEBONIOSA-N 1 2 343.475 3.251 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3cnccc3c2)C1 ZINC000968513752 1335948771 /nfs/dbraw/zinc/94/87/71/1335948771.db2.gz PPIYEWVCKXFRGT-UGSOOPFHSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3cnccc3c2)C1 ZINC000968513752 1335948773 /nfs/dbraw/zinc/94/87/73/1335948773.db2.gz PPIYEWVCKXFRGT-UGSOOPFHSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2c[nH]c3ccccc23)C1 ZINC000968568602 1335962576 /nfs/dbraw/zinc/96/25/76/1335962576.db2.gz BJAXVJHHODSZCY-ACJLOTCBSA-N 1 2 345.874 3.290 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2c[nH]c3ccccc23)C1 ZINC000968568602 1335962579 /nfs/dbraw/zinc/96/25/79/1335962579.db2.gz BJAXVJHHODSZCY-ACJLOTCBSA-N 1 2 345.874 3.290 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CCCC1 ZINC000968730802 1336029255 /nfs/dbraw/zinc/02/92/55/1336029255.db2.gz ZQJQQVQXHIXIIY-OAHLLOKOSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Br)C[N@H+]1CCCCC[C@@H]1CNC(=O)C1CCCC1 ZINC000968730802 1336029258 /nfs/dbraw/zinc/02/92/58/1336029258.db2.gz ZQJQQVQXHIXIIY-OAHLLOKOSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1ncc(F)cc1F ZINC000968917076 1336088137 /nfs/dbraw/zinc/08/81/37/1336088137.db2.gz NCNOHAXIQHJROB-ZDUSSCGKSA-N 1 2 343.805 3.087 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1ncc(F)cc1F ZINC000968917076 1336088140 /nfs/dbraw/zinc/08/81/40/1336088140.db2.gz NCNOHAXIQHJROB-ZDUSSCGKSA-N 1 2 343.805 3.087 20 30 EGEDLO C[C@@H](NC(=O)C1CC(C)C1)C1C[NH+](CC#Cc2ccccc2Cl)C1 ZINC000969479890 1336217015 /nfs/dbraw/zinc/21/70/15/1336217015.db2.gz PEBFYMRPUNYUMK-ISXOHVOVSA-N 1 2 344.886 3.174 20 30 EGEDLO C[C@H](NC(=O)c1cc[nH]c1C1CC1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970338210 1336295463 /nfs/dbraw/zinc/29/54/63/1336295463.db2.gz KIHMENFCDZCWFE-AWEZNQCLSA-N 1 2 348.450 3.014 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970393024 1336303112 /nfs/dbraw/zinc/30/31/12/1336303112.db2.gz GWFOHCNIFPAKJZ-JCKWVBRZSA-N 1 2 343.446 3.070 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(Cl)c(F)c2)C1 ZINC000970480146 1336311362 /nfs/dbraw/zinc/31/13/62/1336311362.db2.gz BBYIRKZUGKHJGM-JTQLQIEISA-N 1 2 331.218 3.282 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(F)c3ncccc3c2)C1 ZINC000970593227 1336325493 /nfs/dbraw/zinc/32/54/93/1336325493.db2.gz IDSVRNIVXKVZMU-LBPRGKRZSA-N 1 2 347.821 3.177 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001005740115 1336398234 /nfs/dbraw/zinc/39/82/34/1336398234.db2.gz DPTGAXVBUZVFQW-CZUORRHYSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2CC[NH+](Cc3csc(C)n3)CC2)C1 ZINC001005968236 1336431912 /nfs/dbraw/zinc/43/19/12/1336431912.db2.gz FSGCVFULDSCREY-UHFFFAOYSA-N 1 2 333.501 3.231 20 30 EGEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2scnc2C2CCCC2)C1 ZINC001007811779 1336704846 /nfs/dbraw/zinc/70/48/46/1336704846.db2.gz PJKUDUQOMAQDKE-HNNXBMFYSA-N 1 2 331.485 3.018 20 30 EGEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2scnc2C2CCCC2)C1 ZINC001007811779 1336704850 /nfs/dbraw/zinc/70/48/50/1336704850.db2.gz PJKUDUQOMAQDKE-HNNXBMFYSA-N 1 2 331.485 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2c[nH]c3cccc(C)c23)C1 ZINC001009246390 1336990309 /nfs/dbraw/zinc/99/03/09/1336990309.db2.gz MNTLZBNMJYYPOM-INIZCTEOSA-N 1 2 345.874 3.352 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH]c3cccc(C)c23)C1 ZINC001009246390 1336990311 /nfs/dbraw/zinc/99/03/11/1336990311.db2.gz MNTLZBNMJYYPOM-INIZCTEOSA-N 1 2 345.874 3.352 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)C2CCC=CCC2)C1 ZINC001009558678 1337037928 /nfs/dbraw/zinc/03/79/28/1337037928.db2.gz INQRDPXVFWBNDQ-FQEVSTJZSA-N 1 2 337.467 3.385 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)C2CCC=CCC2)C1 ZINC001009558678 1337037930 /nfs/dbraw/zinc/03/79/30/1337037930.db2.gz INQRDPXVFWBNDQ-FQEVSTJZSA-N 1 2 337.467 3.385 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(OCC3CC3)cc2)C1 ZINC001009580546 1337040717 /nfs/dbraw/zinc/04/07/17/1337040717.db2.gz SEQCFJKCNWUHMI-QGZVFWFLSA-N 1 2 348.874 3.422 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(OCC3CC3)cc2)C1 ZINC001009580546 1337040720 /nfs/dbraw/zinc/04/07/20/1337040720.db2.gz SEQCFJKCNWUHMI-QGZVFWFLSA-N 1 2 348.874 3.422 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001009632480 1337049517 /nfs/dbraw/zinc/04/95/17/1337049517.db2.gz SLWWLKSDDVJJRN-QGZVFWFLSA-N 1 2 332.875 3.360 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001009632480 1337049521 /nfs/dbraw/zinc/04/95/21/1337049521.db2.gz SLWWLKSDDVJJRN-QGZVFWFLSA-N 1 2 332.875 3.360 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc(F)s3)C2)c1 ZINC001009701731 1337063422 /nfs/dbraw/zinc/06/34/22/1337063422.db2.gz HPRKIXLBQSFNNL-OAHLLOKOSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(F)s3)C2)c1 ZINC001009701731 1337063426 /nfs/dbraw/zinc/06/34/26/1337063426.db2.gz HPRKIXLBQSFNNL-OAHLLOKOSA-N 1 2 343.427 3.153 20 30 EGEDLO Cc1ccsc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001009914182 1337108945 /nfs/dbraw/zinc/10/89/45/1337108945.db2.gz WYMMMYWQGMIVQJ-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1ccsc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001009914182 1337108947 /nfs/dbraw/zinc/10/89/47/1337108947.db2.gz WYMMMYWQGMIVQJ-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1cscc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010482873 1337204907 /nfs/dbraw/zinc/20/49/07/1337204907.db2.gz OQLSJSSTJVRTQL-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1cscc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010482873 1337204909 /nfs/dbraw/zinc/20/49/09/1337204909.db2.gz OQLSJSSTJVRTQL-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO CC(C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1)=C1CCCC1 ZINC001010513486 1337213656 /nfs/dbraw/zinc/21/36/56/1337213656.db2.gz SEFAESOWMMPHGS-SFHVURJKSA-N 1 2 341.430 3.278 20 30 EGEDLO CC(C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1)=C1CCCC1 ZINC001010513486 1337213659 /nfs/dbraw/zinc/21/36/59/1337213659.db2.gz SEFAESOWMMPHGS-SFHVURJKSA-N 1 2 341.430 3.278 20 30 EGEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)C(F)=C1CCCC1 ZINC001010565106 1337223747 /nfs/dbraw/zinc/22/37/47/1337223747.db2.gz DHGVOKBSEFHRQO-GOSISDBHSA-N 1 2 326.415 3.026 20 30 EGEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)C(F)=C1CCCC1 ZINC001010565106 1337223748 /nfs/dbraw/zinc/22/37/48/1337223748.db2.gz DHGVOKBSEFHRQO-GOSISDBHSA-N 1 2 326.415 3.026 20 30 EGEDLO CC(C)c1ccc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)cn1 ZINC001014714806 1337879178 /nfs/dbraw/zinc/87/91/78/1337879178.db2.gz UZLVWZJKVMIAMX-FQEVSTJZSA-N 1 2 347.462 3.061 20 30 EGEDLO CC(C)c1ccc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)cn1 ZINC001014714806 1337879181 /nfs/dbraw/zinc/87/91/81/1337879181.db2.gz UZLVWZJKVMIAMX-FQEVSTJZSA-N 1 2 347.462 3.061 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[C@@H]3CC=CCC3)C2)c(F)c1 ZINC001015527105 1338168130 /nfs/dbraw/zinc/16/81/30/1338168130.db2.gz LIMTYEROWOYWFI-CRAIPNDOSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C[C@@H]3CC=CCC3)C2)c(F)c1 ZINC001015527105 1338168133 /nfs/dbraw/zinc/16/81/33/1338168133.db2.gz LIMTYEROWOYWFI-CRAIPNDOSA-N 1 2 341.430 3.134 20 30 EGEDLO CC1(C(=O)N[C@@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)CC=CC1 ZINC001015654296 1338233813 /nfs/dbraw/zinc/23/38/13/1338233813.db2.gz YLSIJAKYXRFUCM-GOSISDBHSA-N 1 2 342.870 3.238 20 30 EGEDLO CC1(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)CC=CC1 ZINC001015654296 1338233818 /nfs/dbraw/zinc/23/38/18/1338233818.db2.gz YLSIJAKYXRFUCM-GOSISDBHSA-N 1 2 342.870 3.238 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)c(C)s3)C2)CC1 ZINC001015660255 1338239647 /nfs/dbraw/zinc/23/96/47/1338239647.db2.gz VQHJAVFSAIXRJO-INIZCTEOSA-N 1 2 333.501 3.197 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)c(C)s3)C2)CC1 ZINC001015660255 1338239648 /nfs/dbraw/zinc/23/96/48/1338239648.db2.gz VQHJAVFSAIXRJO-INIZCTEOSA-N 1 2 333.501 3.197 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001015700826 1338268543 /nfs/dbraw/zinc/26/85/43/1338268543.db2.gz BMLHFTMWTYPKHO-SFHVURJKSA-N 1 2 348.450 3.158 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001015700826 1338268548 /nfs/dbraw/zinc/26/85/48/1338268548.db2.gz BMLHFTMWTYPKHO-SFHVURJKSA-N 1 2 348.450 3.158 20 30 EGEDLO Cc1cccc(C)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001015738166 1338279012 /nfs/dbraw/zinc/27/90/12/1338279012.db2.gz BANLPDGEKPNTCH-LJQANCHMSA-N 1 2 333.435 3.179 20 30 EGEDLO Cc1cccc(C)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001015738166 1338279013 /nfs/dbraw/zinc/27/90/13/1338279013.db2.gz BANLPDGEKPNTCH-LJQANCHMSA-N 1 2 333.435 3.179 20 30 EGEDLO Cc1cc(F)cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001015739518 1338280203 /nfs/dbraw/zinc/28/02/03/1338280203.db2.gz WONDVDHOTUMZJS-IBGZPJMESA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cc(F)cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001015739518 1338280209 /nfs/dbraw/zinc/28/02/09/1338280209.db2.gz WONDVDHOTUMZJS-IBGZPJMESA-N 1 2 337.398 3.010 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)nc3ccccc32)C1 ZINC001016173553 1338490436 /nfs/dbraw/zinc/49/04/36/1338490436.db2.gz IQHOIBCXATXPSR-AWEZNQCLSA-N 1 2 329.831 3.100 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)nc3ccccc32)C1 ZINC001016173553 1338490438 /nfs/dbraw/zinc/49/04/38/1338490438.db2.gz IQHOIBCXATXPSR-AWEZNQCLSA-N 1 2 329.831 3.100 20 30 EGEDLO CC1(C)CCC[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001016361899 1338566708 /nfs/dbraw/zinc/56/67/08/1338566708.db2.gz IRVUHPOZDHAFGC-QFBILLFUSA-N 1 2 339.483 3.465 20 30 EGEDLO CC1(C)CCC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001016361899 1338566711 /nfs/dbraw/zinc/56/67/11/1338566711.db2.gz IRVUHPOZDHAFGC-QFBILLFUSA-N 1 2 339.483 3.465 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c1 ZINC001017446696 1339347593 /nfs/dbraw/zinc/34/75/93/1339347593.db2.gz NBCXKSMROVVQGU-JCUFNKLESA-N 1 2 349.478 3.170 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c1 ZINC001017446696 1339347595 /nfs/dbraw/zinc/34/75/95/1339347595.db2.gz NBCXKSMROVVQGU-JCUFNKLESA-N 1 2 349.478 3.170 20 30 EGEDLO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2(F)CCCC2)cc1 ZINC001017688274 1339391232 /nfs/dbraw/zinc/39/12/32/1339391232.db2.gz CLDQVWVEFUSFFA-HDICACEKSA-N 1 2 341.430 3.016 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2(F)CCCC2)cc1 ZINC001017688274 1339391233 /nfs/dbraw/zinc/39/12/33/1339391233.db2.gz CLDQVWVEFUSFFA-HDICACEKSA-N 1 2 341.430 3.016 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc2cc(C)c(C)cc12 ZINC001017768873 1339414654 /nfs/dbraw/zinc/41/46/54/1339414654.db2.gz JYVQPNDEZHZCNQ-CALCHBBNSA-N 1 2 336.435 3.362 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc2cc(C)c(C)cc12 ZINC001017768873 1339414657 /nfs/dbraw/zinc/41/46/57/1339414657.db2.gz JYVQPNDEZHZCNQ-CALCHBBNSA-N 1 2 336.435 3.362 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1cccc(Cl)c1 ZINC001018007415 1339480509 /nfs/dbraw/zinc/48/05/09/1339480509.db2.gz MJKCRMLEYKKPMU-HDICACEKSA-N 1 2 344.886 3.316 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1cccc(Cl)c1 ZINC001018007415 1339480513 /nfs/dbraw/zinc/48/05/13/1339480513.db2.gz MJKCRMLEYKKPMU-HDICACEKSA-N 1 2 344.886 3.316 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)cc1Cl ZINC001018209217 1339533741 /nfs/dbraw/zinc/53/37/41/1339533741.db2.gz USBGGEGNEHOORJ-OKILXGFUSA-N 1 2 337.250 3.306 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)cc1Cl ZINC001018209217 1339533742 /nfs/dbraw/zinc/53/37/42/1339533742.db2.gz USBGGEGNEHOORJ-OKILXGFUSA-N 1 2 337.250 3.306 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)cc(Cl)c1 ZINC001018211782 1339534753 /nfs/dbraw/zinc/53/47/53/1339534753.db2.gz LDPOYBFYDHEZMD-IYBDPMFKSA-N 1 2 337.250 3.306 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)cc(Cl)c1 ZINC001018211782 1339534757 /nfs/dbraw/zinc/53/47/57/1339534757.db2.gz LDPOYBFYDHEZMD-IYBDPMFKSA-N 1 2 337.250 3.306 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)c(F)cc1Cl ZINC001018214543 1339535947 /nfs/dbraw/zinc/53/59/47/1339535947.db2.gz SFZGYXYNUWOAFB-OKILXGFUSA-N 1 2 334.822 3.100 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)c(F)cc1Cl ZINC001018214543 1339535950 /nfs/dbraw/zinc/53/59/50/1339535950.db2.gz SFZGYXYNUWOAFB-OKILXGFUSA-N 1 2 334.822 3.100 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1csc(C(C)(C)C)n1 ZINC001028203006 1340482429 /nfs/dbraw/zinc/48/24/29/1340482429.db2.gz MRFGCAQDICTUMD-LBPRGKRZSA-N 1 2 341.908 3.387 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(F)c2ncccc2c1 ZINC001028203731 1340482373 /nfs/dbraw/zinc/48/23/73/1340482373.db2.gz ARYCNLMBMNKEHP-OAHLLOKOSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)c2ncccc2c1 ZINC001028203731 1340482375 /nfs/dbraw/zinc/48/23/75/1340482375.db2.gz ARYCNLMBMNKEHP-OAHLLOKOSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1csc(C(C)(C)C)n1 ZINC001028203006 1340482428 /nfs/dbraw/zinc/48/24/28/1340482428.db2.gz MRFGCAQDICTUMD-LBPRGKRZSA-N 1 2 341.908 3.387 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc2oc(C)nc21 ZINC001028341800 1340580666 /nfs/dbraw/zinc/58/06/66/1340580666.db2.gz VDPMKKWKLHERQQ-CYBMUJFWSA-N 1 2 333.819 3.083 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc2oc(C)nc21 ZINC001028341800 1340580669 /nfs/dbraw/zinc/58/06/69/1340580669.db2.gz VDPMKKWKLHERQQ-CYBMUJFWSA-N 1 2 333.819 3.083 20 30 EGEDLO O=C(c1ccccc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(F)cc1 ZINC001029194022 1340952322 /nfs/dbraw/zinc/95/23/22/1340952322.db2.gz ONRXJIAVIHRNGM-OYRHEFFESA-N 1 2 348.421 3.166 20 30 EGEDLO O=C(c1ccccc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001029194022 1340952323 /nfs/dbraw/zinc/95/23/23/1340952323.db2.gz ONRXJIAVIHRNGM-OYRHEFFESA-N 1 2 348.421 3.166 20 30 EGEDLO CC[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001029217029 1340957113 /nfs/dbraw/zinc/95/71/13/1340957113.db2.gz FCHNKBCPHNSZNE-LZQZEXGQSA-N 1 2 344.886 3.413 20 30 EGEDLO CC[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001029217029 1340957114 /nfs/dbraw/zinc/95/71/14/1340957114.db2.gz FCHNKBCPHNSZNE-LZQZEXGQSA-N 1 2 344.886 3.413 20 30 EGEDLO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C#N)s2)co1 ZINC001029284555 1340966915 /nfs/dbraw/zinc/96/69/15/1340966915.db2.gz ZFDVRHZVVYIBAP-GASCZTMLSA-N 1 2 341.436 3.010 20 30 EGEDLO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)s2)co1 ZINC001029284555 1340966916 /nfs/dbraw/zinc/96/69/16/1340966916.db2.gz ZFDVRHZVVYIBAP-GASCZTMLSA-N 1 2 341.436 3.010 20 30 EGEDLO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1)C1CCC1 ZINC001029355095 1340975959 /nfs/dbraw/zinc/97/59/59/1340975959.db2.gz OTNKFYBJQZPYRX-DZFGPLHGSA-N 1 2 336.479 3.150 20 30 EGEDLO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1)C1CCC1 ZINC001029355095 1340975960 /nfs/dbraw/zinc/97/59/60/1340975960.db2.gz OTNKFYBJQZPYRX-DZFGPLHGSA-N 1 2 336.479 3.150 20 30 EGEDLO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1)C(C)(C)C ZINC001029360432 1340977147 /nfs/dbraw/zinc/97/71/47/1340977147.db2.gz FOSISPYVZZCKLQ-SOUVJXGZSA-N 1 2 345.512 3.477 20 30 EGEDLO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1)C(C)(C)C ZINC001029360432 1340977150 /nfs/dbraw/zinc/97/71/50/1340977150.db2.gz FOSISPYVZZCKLQ-SOUVJXGZSA-N 1 2 345.512 3.477 20 30 EGEDLO CC(C)[C@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029535499 1341007466 /nfs/dbraw/zinc/00/74/66/1341007466.db2.gz XEZYUGYKFBIRRZ-NONVJHHQSA-N 1 2 343.496 3.087 20 30 EGEDLO CC(C)[C@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029535499 1341007467 /nfs/dbraw/zinc/00/74/67/1341007467.db2.gz XEZYUGYKFBIRRZ-NONVJHHQSA-N 1 2 343.496 3.087 20 30 EGEDLO O=C(C1CCC=CCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029586714 1341017157 /nfs/dbraw/zinc/01/71/57/1341017157.db2.gz ASVUVNBBCBALKM-SZPZYZBQSA-N 1 2 348.490 3.460 20 30 EGEDLO O=C(C1CCC=CCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029586714 1341017158 /nfs/dbraw/zinc/01/71/58/1341017158.db2.gz ASVUVNBBCBALKM-SZPZYZBQSA-N 1 2 348.490 3.460 20 30 EGEDLO C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1)C1CC1 ZINC001029598628 1341019115 /nfs/dbraw/zinc/01/91/15/1341019115.db2.gz BCRGADVYEOLQBA-UIFIKXQLSA-N 1 2 336.479 3.150 20 30 EGEDLO C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1)C1CC1 ZINC001029598628 1341019116 /nfs/dbraw/zinc/01/91/16/1341019116.db2.gz BCRGADVYEOLQBA-UIFIKXQLSA-N 1 2 336.479 3.150 20 30 EGEDLO C=CCOc1ccccc1C(=O)NC1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001030542175 1341196134 /nfs/dbraw/zinc/19/61/34/1341196134.db2.gz QZYVKRXHJCHSSY-INIZCTEOSA-N 1 2 336.435 3.427 20 30 EGEDLO CCC[C@H]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031795664 1341402583 /nfs/dbraw/zinc/40/25/83/1341402583.db2.gz VUMZSFIQUWTZBR-FXAWDEMLSA-N 1 2 339.483 3.323 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001031920572 1341422410 /nfs/dbraw/zinc/42/24/10/1341422410.db2.gz LMSXLZVRGGIRCD-VXGBXAGGSA-N 1 2 345.295 3.306 20 30 EGEDLO CC[C@@H]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031953033 1341430675 /nfs/dbraw/zinc/43/06/75/1341430675.db2.gz DOXYMPBDOYOWBJ-AEFFLSMTSA-N 1 2 343.446 3.072 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(F)cc2)CC1 ZINC001032603390 1341554870 /nfs/dbraw/zinc/55/48/70/1341554870.db2.gz ZVKKIZRGZRSDJK-OALUTQOASA-N 1 2 328.431 3.357 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(F)cc2)CC1 ZINC001032603390 1341554871 /nfs/dbraw/zinc/55/48/71/1341554871.db2.gz ZVKKIZRGZRSDJK-OALUTQOASA-N 1 2 328.431 3.357 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(Cl)c2)C1 ZINC001032617482 1341561190 /nfs/dbraw/zinc/56/11/90/1341561190.db2.gz DYYVNWPEUCYAQD-IRXDYDNUSA-N 1 2 330.859 3.481 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(Cl)c2)C1 ZINC001032617482 1341561192 /nfs/dbraw/zinc/56/11/92/1341561192.db2.gz DYYVNWPEUCYAQD-IRXDYDNUSA-N 1 2 330.859 3.481 20 30 EGEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](F)c2ccccc2)cc1 ZINC001032653200 1341571105 /nfs/dbraw/zinc/57/11/05/1341571105.db2.gz MVQJSSDMNQJDBC-SLFFLAALSA-N 1 2 349.409 3.054 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](F)c2ccccc2)cc1 ZINC001032653200 1341571106 /nfs/dbraw/zinc/57/11/06/1341571106.db2.gz MVQJSSDMNQJDBC-SLFFLAALSA-N 1 2 349.409 3.054 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(F)c(F)c2F)C1 ZINC001033370270 1341799667 /nfs/dbraw/zinc/79/96/67/1341799667.db2.gz NTESHARWYKBHNE-JTQLQIEISA-N 1 2 332.753 3.003 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(F)c(F)c2F)C1 ZINC001033370270 1341799668 /nfs/dbraw/zinc/79/96/68/1341799668.db2.gz NTESHARWYKBHNE-JTQLQIEISA-N 1 2 332.753 3.003 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2c(F)ccc(C)c2F)C1 ZINC001033386683 1341806684 /nfs/dbraw/zinc/80/66/84/1341806684.db2.gz CVHMZTHPCTYHKY-LBPRGKRZSA-N 1 2 328.790 3.172 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2c(F)ccc(C)c2F)C1 ZINC001033386683 1341806687 /nfs/dbraw/zinc/80/66/87/1341806687.db2.gz CVHMZTHPCTYHKY-LBPRGKRZSA-N 1 2 328.790 3.172 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@H+](Cc3nc(C)sc3C)C2)C1 ZINC001033399291 1341813260 /nfs/dbraw/zinc/81/32/60/1341813260.db2.gz ODXLRIPHTHAKMF-HNNXBMFYSA-N 1 2 333.501 3.149 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@@H+](Cc3nc(C)sc3C)C2)C1 ZINC001033399291 1341813261 /nfs/dbraw/zinc/81/32/61/1341813261.db2.gz ODXLRIPHTHAKMF-HNNXBMFYSA-N 1 2 333.501 3.149 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cc(O)ccc3Cl)C2)C1 ZINC001033398887 1341813470 /nfs/dbraw/zinc/81/34/70/1341813470.db2.gz LJCVWMLWACIKNB-OAHLLOKOSA-N 1 2 348.874 3.435 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cc(O)ccc3Cl)C2)C1 ZINC001033398887 1341813471 /nfs/dbraw/zinc/81/34/71/1341813471.db2.gz LJCVWMLWACIKNB-OAHLLOKOSA-N 1 2 348.874 3.435 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc(F)c2Cl)C1 ZINC001033451574 1341830347 /nfs/dbraw/zinc/83/03/47/1341830347.db2.gz YMNZRPRCZNYBAY-NSHDSACASA-N 1 2 331.218 3.378 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(F)c2Cl)C1 ZINC001033451574 1341830348 /nfs/dbraw/zinc/83/03/48/1341830348.db2.gz YMNZRPRCZNYBAY-NSHDSACASA-N 1 2 331.218 3.378 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(OCC)c(C)c2)C1 ZINC001033470822 1341839405 /nfs/dbraw/zinc/83/94/05/1341839405.db2.gz BHCYMCVJCIWDNJ-MRXNPFEDSA-N 1 2 336.863 3.293 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(OCC)c(C)c2)C1 ZINC001033470822 1341839406 /nfs/dbraw/zinc/83/94/06/1341839406.db2.gz BHCYMCVJCIWDNJ-MRXNPFEDSA-N 1 2 336.863 3.293 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C)c(OCC)c2)C1 ZINC001033474384 1341840800 /nfs/dbraw/zinc/84/08/00/1341840800.db2.gz QYDLJHDETKFHOG-INIZCTEOSA-N 1 2 336.863 3.293 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C)c(OCC)c2)C1 ZINC001033474384 1341840801 /nfs/dbraw/zinc/84/08/01/1341840801.db2.gz QYDLJHDETKFHOG-INIZCTEOSA-N 1 2 336.863 3.293 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3scnc3c2)C1 ZINC001033551740 1341867710 /nfs/dbraw/zinc/86/77/10/1341867710.db2.gz QPUOHJFDQFXGTG-ZDUSSCGKSA-N 1 2 335.860 3.195 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3scnc3c2)C1 ZINC001033551740 1341867713 /nfs/dbraw/zinc/86/77/13/1341867713.db2.gz QPUOHJFDQFXGTG-ZDUSSCGKSA-N 1 2 335.860 3.195 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)ccc2OC)C1 ZINC001033638081 1341920506 /nfs/dbraw/zinc/92/05/06/1341920506.db2.gz WQUODTFIEDZRFX-ZDUSSCGKSA-N 1 2 343.254 3.247 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)ccc2OC)C1 ZINC001033638081 1341920508 /nfs/dbraw/zinc/92/05/08/1341920508.db2.gz WQUODTFIEDZRFX-ZDUSSCGKSA-N 1 2 343.254 3.247 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(Cl)c3C)C[C@@H]21 ZINC001074249601 1356143040 /nfs/dbraw/zinc/14/30/40/1356143040.db2.gz VQLLGVAOCASDOD-ZWKOTPCHSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(Cl)c3C)C[C@@H]21 ZINC001074249601 1356143042 /nfs/dbraw/zinc/14/30/42/1356143042.db2.gz VQLLGVAOCASDOD-ZWKOTPCHSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccn3c2CCCC3)C1 ZINC001033860925 1342049806 /nfs/dbraw/zinc/04/98/06/1342049806.db2.gz SSORRXMDWZFNQF-HNNXBMFYSA-N 1 2 335.879 3.113 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccn3c2CCCC3)C1 ZINC001033860925 1342049809 /nfs/dbraw/zinc/04/98/09/1342049809.db2.gz SSORRXMDWZFNQF-HNNXBMFYSA-N 1 2 335.879 3.113 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc(-c3ccco3)on2)C1 ZINC001033916785 1342085892 /nfs/dbraw/zinc/08/58/92/1342085892.db2.gz UAMMWJMKYHGIRB-ZDUSSCGKSA-N 1 2 349.818 3.224 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(-c3ccco3)on2)C1 ZINC001033916785 1342085893 /nfs/dbraw/zinc/08/58/93/1342085893.db2.gz UAMMWJMKYHGIRB-ZDUSSCGKSA-N 1 2 349.818 3.224 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC23CCC3)C1 ZINC001033968514 1342120103 /nfs/dbraw/zinc/12/01/03/1342120103.db2.gz NQLCSLXUTPUNIF-KGLIPLIRSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC23CCC3)C1 ZINC001033968514 1342120105 /nfs/dbraw/zinc/12/01/05/1342120105.db2.gz NQLCSLXUTPUNIF-KGLIPLIRSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@@H+](Cc3nccn3CC)C2)CC1 ZINC001034376904 1342446053 /nfs/dbraw/zinc/44/60/53/1342446053.db2.gz IIJVYMSTIPVYFV-SFHVURJKSA-N 1 2 344.503 3.120 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@H+](Cc3nccn3CC)C2)CC1 ZINC001034376904 1342446055 /nfs/dbraw/zinc/44/60/55/1342446055.db2.gz IIJVYMSTIPVYFV-SFHVURJKSA-N 1 2 344.503 3.120 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@@H+]([C@@H](C)c3nnc(CC)o3)C2)C1 ZINC001034389571 1342458246 /nfs/dbraw/zinc/45/82/46/1342458246.db2.gz RTWPRXSOMFWHSJ-GJZGRUSLSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@H+]([C@@H](C)c3nnc(CC)o3)C2)C1 ZINC001034389571 1342458250 /nfs/dbraw/zinc/45/82/50/1342458250.db2.gz RTWPRXSOMFWHSJ-GJZGRUSLSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001034511212 1342570235 /nfs/dbraw/zinc/57/02/35/1342570235.db2.gz KELKRKFCFCDSIH-INIZCTEOSA-N 1 2 333.863 3.296 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001034511212 1342570238 /nfs/dbraw/zinc/57/02/38/1342570238.db2.gz KELKRKFCFCDSIH-INIZCTEOSA-N 1 2 333.863 3.296 20 30 EGEDLO C/C=C(/C)C(=O)N1CCC2(C[NH+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001035683999 1343139869 /nfs/dbraw/zinc/13/98/69/1343139869.db2.gz PEUNBPGXPQIPTP-CQPUUCJISA-N 1 2 341.430 3.088 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1conc1C(C)C)CC2 ZINC001035723425 1343153632 /nfs/dbraw/zinc/15/36/32/1343153632.db2.gz WPYBDWKDNDQPBP-UHFFFAOYSA-N 1 2 337.851 3.089 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC2(C[NH+](Cc3nc(C)c(C)o3)C2)CC1 ZINC001035782052 1343192837 /nfs/dbraw/zinc/19/28/37/1343192837.db2.gz HEQDSJZACZLJQB-IBGZPJMESA-N 1 2 345.487 3.318 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC2(C[NH+](Cc3ccc(F)cn3)C2)CC1 ZINC001035782997 1343193712 /nfs/dbraw/zinc/19/37/12/1343193712.db2.gz YBOHVICEYCOVRL-IBGZPJMESA-N 1 2 345.462 3.247 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)COc1cccc(C)c1)CC2 ZINC001035849688 1343229675 /nfs/dbraw/zinc/22/96/75/1343229675.db2.gz JTLSVZIBQKVHEP-UHFFFAOYSA-N 1 2 348.874 3.051 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1c(C)cccc1F)CC2 ZINC001035862986 1343238150 /nfs/dbraw/zinc/23/81/50/1343238150.db2.gz SFKCKWUXJLVGIT-UHFFFAOYSA-N 1 2 336.838 3.425 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCCC3(CC3)C2)s1 ZINC001038246144 1344341456 /nfs/dbraw/zinc/34/14/56/1344341456.db2.gz MHXQOVUFQYNBFN-HUUCEWRRSA-N 1 2 343.496 3.281 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCCC3(CC3)C2)s1 ZINC001038246144 1344341459 /nfs/dbraw/zinc/34/14/59/1344341459.db2.gz MHXQOVUFQYNBFN-HUUCEWRRSA-N 1 2 343.496 3.281 20 30 EGEDLO CC1=C(C)C[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)CC1 ZINC001038285433 1344357838 /nfs/dbraw/zinc/35/78/38/1344357838.db2.gz DHCIRBOSGWAOJV-HOTGVXAUSA-N 1 2 343.496 3.447 20 30 EGEDLO CC1=C(C)C[C@@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)CC1 ZINC001038285433 1344357842 /nfs/dbraw/zinc/35/78/42/1344357842.db2.gz DHCIRBOSGWAOJV-HOTGVXAUSA-N 1 2 343.496 3.447 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cscc2Cl)cc1 ZINC001038380667 1344402415 /nfs/dbraw/zinc/40/24/15/1344402415.db2.gz PGYCEPUBDCCSLT-CQSZACIVSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cscc2Cl)cc1 ZINC001038380667 1344402418 /nfs/dbraw/zinc/40/24/18/1344402418.db2.gz PGYCEPUBDCCSLT-CQSZACIVSA-N 1 2 345.855 3.277 20 30 EGEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)c1c[nH]c2ccccc12 ZINC001038472409 1344439908 /nfs/dbraw/zinc/43/99/08/1344439908.db2.gz YCUOPRHVQZBETO-GOSISDBHSA-N 1 2 343.430 3.024 20 30 EGEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)c1c[nH]c2ccccc12 ZINC001038472409 1344439910 /nfs/dbraw/zinc/43/99/10/1344439910.db2.gz YCUOPRHVQZBETO-GOSISDBHSA-N 1 2 343.430 3.024 20 30 EGEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)c1c[nH]c2ccccc12 ZINC001038472410 1344440297 /nfs/dbraw/zinc/44/02/97/1344440297.db2.gz YCUOPRHVQZBETO-SFHVURJKSA-N 1 2 343.430 3.024 20 30 EGEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)c1c[nH]c2ccccc12 ZINC001038472410 1344440303 /nfs/dbraw/zinc/44/03/03/1344440303.db2.gz YCUOPRHVQZBETO-SFHVURJKSA-N 1 2 343.430 3.024 20 30 EGEDLO CCc1ccccc1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001038647909 1344521684 /nfs/dbraw/zinc/52/16/84/1344521684.db2.gz YOJWXQNQQVMSOG-OAHLLOKOSA-N 1 2 339.464 3.186 20 30 EGEDLO CCc1ccccc1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001038647909 1344521686 /nfs/dbraw/zinc/52/16/86/1344521686.db2.gz YOJWXQNQQVMSOG-OAHLLOKOSA-N 1 2 339.464 3.186 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccsc2Cl)c1 ZINC001038773620 1344579454 /nfs/dbraw/zinc/57/94/54/1344579454.db2.gz SHPXBMGLUGFGJB-CQSZACIVSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccsc2Cl)c1 ZINC001038773620 1344579458 /nfs/dbraw/zinc/57/94/58/1344579458.db2.gz SHPXBMGLUGFGJB-CQSZACIVSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2csc(Cl)c2)cc1 ZINC001038775901 1344580565 /nfs/dbraw/zinc/58/05/65/1344580565.db2.gz HRASBPQEDOMEGN-HNNXBMFYSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2csc(Cl)c2)cc1 ZINC001038775901 1344580566 /nfs/dbraw/zinc/58/05/66/1344580566.db2.gz HRASBPQEDOMEGN-HNNXBMFYSA-N 1 2 345.855 3.277 20 30 EGEDLO Cc1cc(C)cc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)c1 ZINC001038962029 1344685093 /nfs/dbraw/zinc/68/50/93/1344685093.db2.gz SVQKJBWQDPLNSW-INIZCTEOSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1cc(C)cc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)c1 ZINC001038962029 1344685098 /nfs/dbraw/zinc/68/50/98/1344685098.db2.gz SVQKJBWQDPLNSW-INIZCTEOSA-N 1 2 339.464 3.241 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc3ccccc3[nH]2)c1 ZINC001038996583 1344705559 /nfs/dbraw/zinc/70/55/59/1344705559.db2.gz OYRBYFGIUFEHTL-SFHVURJKSA-N 1 2 344.418 3.044 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc3ccccc3[nH]2)c1 ZINC001038996583 1344705563 /nfs/dbraw/zinc/70/55/63/1344705563.db2.gz OYRBYFGIUFEHTL-SFHVURJKSA-N 1 2 344.418 3.044 20 30 EGEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)c1cccc2c1CCC2 ZINC001039066978 1344749974 /nfs/dbraw/zinc/74/99/74/1344749974.db2.gz MRSBPHCBYZPACL-HXUWFJFHSA-N 1 2 344.458 3.031 20 30 EGEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)c1cccc2c1CCC2 ZINC001039066978 1344749979 /nfs/dbraw/zinc/74/99/79/1344749979.db2.gz MRSBPHCBYZPACL-HXUWFJFHSA-N 1 2 344.458 3.031 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)C ZINC001039332891 1345018629 /nfs/dbraw/zinc/01/86/29/1345018629.db2.gz CSALPHBDIGSWCW-KGLIPLIRSA-N 1 2 343.309 3.397 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)C ZINC001039332891 1345018633 /nfs/dbraw/zinc/01/86/33/1345018633.db2.gz CSALPHBDIGSWCW-KGLIPLIRSA-N 1 2 343.309 3.397 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC(F)(F)C1 ZINC001039382940 1345037119 /nfs/dbraw/zinc/03/71/19/1345037119.db2.gz ZRKNWTSZBBJOBM-MCIONIFRSA-N 1 2 332.822 3.240 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC(F)(F)C1 ZINC001039382940 1345037123 /nfs/dbraw/zinc/03/71/23/1345037123.db2.gz ZRKNWTSZBBJOBM-MCIONIFRSA-N 1 2 332.822 3.240 20 30 EGEDLO O=C(/C=C/C1CC1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001039536471 1345133754 /nfs/dbraw/zinc/13/37/54/1345133754.db2.gz BPOMWWCVFAKBEK-OGEYELGLSA-N 1 2 334.463 3.070 20 30 EGEDLO O=C(/C=C/C1CC1)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001039536471 1345133758 /nfs/dbraw/zinc/13/37/58/1345133758.db2.gz BPOMWWCVFAKBEK-OGEYELGLSA-N 1 2 334.463 3.070 20 30 EGEDLO Cc1cc[nH]c1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001039564691 1345142595 /nfs/dbraw/zinc/14/25/95/1345142595.db2.gz CWJATEXKKPHKOL-KDURUIRLSA-N 1 2 348.450 3.074 20 30 EGEDLO Cc1cc[nH]c1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001039564691 1345142597 /nfs/dbraw/zinc/14/25/97/1345142597.db2.gz CWJATEXKKPHKOL-KDURUIRLSA-N 1 2 348.450 3.074 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1c(C)noc1C ZINC001039820418 1345199458 /nfs/dbraw/zinc/19/94/58/1345199458.db2.gz HCPJVGSXTWFYNE-IYBDPMFKSA-N 1 2 331.460 3.069 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1c(C)noc1C ZINC001039820418 1345199460 /nfs/dbraw/zinc/19/94/60/1345199460.db2.gz HCPJVGSXTWFYNE-IYBDPMFKSA-N 1 2 331.460 3.069 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccnc1 ZINC001039823021 1345199872 /nfs/dbraw/zinc/19/98/72/1345199872.db2.gz MXPZJDNWWPXMRD-HDICACEKSA-N 1 2 327.472 3.249 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccnc1 ZINC001039823021 1345199874 /nfs/dbraw/zinc/19/98/74/1345199874.db2.gz MXPZJDNWWPXMRD-HDICACEKSA-N 1 2 327.472 3.249 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@](C)(CNc2cc[nH+]c(C)n2)C1 ZINC001040349812 1345448046 /nfs/dbraw/zinc/44/80/46/1345448046.db2.gz MZIFMAWOKKJASN-NIKGAXFTSA-N 1 2 330.476 3.284 20 30 EGEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)C1CC=CC1 ZINC001079516336 1357286663 /nfs/dbraw/zinc/28/66/63/1357286663.db2.gz IAMCYFIUBBWRHS-DNVCBOLYSA-N 1 2 342.870 3.094 20 30 EGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)C1CC=CC1 ZINC001079516336 1357286669 /nfs/dbraw/zinc/28/66/69/1357286669.db2.gz IAMCYFIUBBWRHS-DNVCBOLYSA-N 1 2 342.870 3.094 20 30 EGEDLO C#Cc1ccccc1CC(=O)N(C)C1C[NH+](C/C=C\c2ccccc2)C1 ZINC001044233525 1346281047 /nfs/dbraw/zinc/28/10/47/1346281047.db2.gz BMJBIZUTWXKUOM-XFXZXTDPSA-N 1 2 344.458 3.066 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)[C@H]2C1 ZINC001045171953 1346514103 /nfs/dbraw/zinc/51/41/03/1346514103.db2.gz SFYMZXHHWQRCDJ-IRXDYDNUSA-N 1 2 342.487 3.041 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@]2(C)CC)CC1 ZINC001045607418 1346644209 /nfs/dbraw/zinc/64/42/09/1346644209.db2.gz VSOZPVPUWFIZPU-ZFWWWQNUSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncc(CC)o1 ZINC001045840821 1346716904 /nfs/dbraw/zinc/71/69/04/1346716904.db2.gz QOHICQKGAACTFU-GQIGUUNPSA-N 1 2 345.487 3.405 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncc(CC)o1 ZINC001045840821 1346716905 /nfs/dbraw/zinc/71/69/05/1346716905.db2.gz QOHICQKGAACTFU-GQIGUUNPSA-N 1 2 345.487 3.405 20 30 EGEDLO C[C@@]1(NC(=O)c2cccs2)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046113111 1346852045 /nfs/dbraw/zinc/85/20/45/1346852045.db2.gz CTSJMYMQHIYOPT-GOSISDBHSA-N 1 2 343.427 3.153 20 30 EGEDLO C[C@@]1(NC(=O)c2cccs2)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046113111 1346852048 /nfs/dbraw/zinc/85/20/48/1346852048.db2.gz CTSJMYMQHIYOPT-GOSISDBHSA-N 1 2 343.427 3.153 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)C2CCCCCC2)C1 ZINC001046176547 1346879038 /nfs/dbraw/zinc/87/90/38/1346879038.db2.gz ATPZHIGHELGTLM-MRXNPFEDSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)C2CCCCCC2)C1 ZINC001046176547 1346879042 /nfs/dbraw/zinc/87/90/42/1346879042.db2.gz ATPZHIGHELGTLM-MRXNPFEDSA-N 1 2 343.309 3.446 20 30 EGEDLO C[C@@]1(NC(=O)c2sccc2F)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001046295655 1346925672 /nfs/dbraw/zinc/92/56/72/1346925672.db2.gz BXMXOHZMEPGBFC-MRXNPFEDSA-N 1 2 349.456 3.215 20 30 EGEDLO C[C@@]1(NC(=O)c2sccc2F)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001046295655 1346925676 /nfs/dbraw/zinc/92/56/76/1346925676.db2.gz BXMXOHZMEPGBFC-MRXNPFEDSA-N 1 2 349.456 3.215 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc3oc(C)nc3c2)C1 ZINC001046411394 1346965145 /nfs/dbraw/zinc/96/51/45/1346965145.db2.gz VJWVXCJEQPPSKF-KRWDZBQOSA-N 1 2 333.819 3.083 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc3oc(C)nc3c2)C1 ZINC001046411394 1346965148 /nfs/dbraw/zinc/96/51/48/1346965148.db2.gz VJWVXCJEQPPSKF-KRWDZBQOSA-N 1 2 333.819 3.083 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001046551940 1347013369 /nfs/dbraw/zinc/01/33/69/1347013369.db2.gz QDDWHCPMQKSEON-CZUORRHYSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001046551940 1347013371 /nfs/dbraw/zinc/01/33/71/1347013371.db2.gz QDDWHCPMQKSEON-CZUORRHYSA-N 1 2 343.309 3.302 20 30 EGEDLO C[C@]1(NC(=O)c2occc2Cl)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046598563 1347033038 /nfs/dbraw/zinc/03/30/38/1347033038.db2.gz OVWFQSRGJWINSS-SFHVURJKSA-N 1 2 343.814 3.199 20 30 EGEDLO C[C@]1(NC(=O)c2occc2Cl)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046598563 1347033039 /nfs/dbraw/zinc/03/30/39/1347033039.db2.gz OVWFQSRGJWINSS-SFHVURJKSA-N 1 2 343.814 3.199 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(Cl)c(OC)c2)C1 ZINC001046673137 1347058437 /nfs/dbraw/zinc/05/84/37/1347058437.db2.gz GGZFIBJZQBTDFC-INIZCTEOSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(Cl)c(OC)c2)C1 ZINC001046673137 1347058439 /nfs/dbraw/zinc/05/84/39/1347058439.db2.gz GGZFIBJZQBTDFC-INIZCTEOSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(OC)c(Cl)c2)C1 ZINC001046828264 1347121212 /nfs/dbraw/zinc/12/12/12/1347121212.db2.gz LLXNWICZRUWWGU-MRXNPFEDSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(OC)c(Cl)c2)C1 ZINC001046828264 1347121213 /nfs/dbraw/zinc/12/12/13/1347121213.db2.gz LLXNWICZRUWWGU-MRXNPFEDSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)C1CC1 ZINC001049404510 1347827160 /nfs/dbraw/zinc/82/71/60/1347827160.db2.gz RTRGDYYMCDPMLW-VHDGCEQUSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)C1CC1 ZINC001049404510 1347827165 /nfs/dbraw/zinc/82/71/65/1347827165.db2.gz RTRGDYYMCDPMLW-VHDGCEQUSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1scnc1CC ZINC001049510352 1347884996 /nfs/dbraw/zinc/88/49/96/1347884996.db2.gz FOTSZPOXWREJKQ-UONOGXRCSA-N 1 2 339.892 3.137 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1scnc1CC ZINC001049510352 1347885000 /nfs/dbraw/zinc/88/50/00/1347885000.db2.gz FOTSZPOXWREJKQ-UONOGXRCSA-N 1 2 339.892 3.137 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC001049514468 1347887060 /nfs/dbraw/zinc/88/70/60/1347887060.db2.gz FSAFONIJUKBCAG-ZIAGYGMSSA-N 1 2 348.878 3.196 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC001049514468 1347887062 /nfs/dbraw/zinc/88/70/62/1347887062.db2.gz FSAFONIJUKBCAG-ZIAGYGMSSA-N 1 2 348.878 3.196 20 30 EGEDLO CC[C@H](F)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001049642391 1347949849 /nfs/dbraw/zinc/94/98/49/1347949849.db2.gz WKTXVHAUHBPOCY-RCCFBDPRSA-N 1 2 347.409 3.011 20 30 EGEDLO CC[C@H](F)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001049642391 1347949851 /nfs/dbraw/zinc/94/98/51/1347949851.db2.gz WKTXVHAUHBPOCY-RCCFBDPRSA-N 1 2 347.409 3.011 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C)CCC1 ZINC001049643825 1347951474 /nfs/dbraw/zinc/95/14/74/1347951474.db2.gz GMKHHLNOZFBRSQ-ZIAGYGMSSA-N 1 2 341.293 3.151 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C)CCC1 ZINC001049643825 1347951476 /nfs/dbraw/zinc/95/14/76/1347951476.db2.gz GMKHHLNOZFBRSQ-ZIAGYGMSSA-N 1 2 341.293 3.151 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)C(C)C ZINC001049769149 1348011952 /nfs/dbraw/zinc/01/19/52/1348011952.db2.gz NQOSCAHCRLGFCE-RRFJBIMHSA-N 1 2 343.309 3.252 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)C(C)C ZINC001049769149 1348011956 /nfs/dbraw/zinc/01/19/56/1348011956.db2.gz NQOSCAHCRLGFCE-RRFJBIMHSA-N 1 2 343.309 3.252 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1coc(CCC)n1 ZINC001049841758 1348052953 /nfs/dbraw/zinc/05/29/53/1348052953.db2.gz UPFNOSAUTZUSMV-HUUCEWRRSA-N 1 2 337.851 3.059 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1coc(CCC)n1 ZINC001049841758 1348052957 /nfs/dbraw/zinc/05/29/57/1348052957.db2.gz UPFNOSAUTZUSMV-HUUCEWRRSA-N 1 2 337.851 3.059 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC001079821096 1357391091 /nfs/dbraw/zinc/39/10/91/1357391091.db2.gz ARNJOBGZLPZCSY-CXAGYDPISA-N 1 2 331.847 3.050 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC001079821096 1357391095 /nfs/dbraw/zinc/39/10/95/1357391095.db2.gz ARNJOBGZLPZCSY-CXAGYDPISA-N 1 2 331.847 3.050 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]3C[N@@H+](Cc4coc(C)n4)C[C@H]32)CC1 ZINC001050131219 1348192270 /nfs/dbraw/zinc/19/22/70/1348192270.db2.gz SOKFWOJESAGAED-PKOBYXMFSA-N 1 2 343.471 3.152 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]3C[N@H+](Cc4coc(C)n4)C[C@H]32)CC1 ZINC001050131219 1348192273 /nfs/dbraw/zinc/19/22/73/1348192273.db2.gz SOKFWOJESAGAED-PKOBYXMFSA-N 1 2 343.471 3.152 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[NH+]([C@H](C)c1csnn1)CC2 ZINC001050651912 1348317211 /nfs/dbraw/zinc/31/72/11/1348317211.db2.gz WWSPRMRIDIREEN-RHSMWYFYSA-N 1 2 348.516 3.126 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2COCC[N@@H+]2CC2=CCCCC2)CC1 ZINC001051098330 1348391979 /nfs/dbraw/zinc/39/19/79/1348391979.db2.gz DSOUXPGQULZHEJ-LJQANCHMSA-N 1 2 332.488 3.050 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2COCC[N@H+]2CC2=CCCCC2)CC1 ZINC001051098330 1348391980 /nfs/dbraw/zinc/39/19/80/1348391980.db2.gz DSOUXPGQULZHEJ-LJQANCHMSA-N 1 2 332.488 3.050 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1csc2c1CCCC2 ZINC001051235436 1348407474 /nfs/dbraw/zinc/40/74/74/1348407474.db2.gz PJCDLRIZYOEDGC-OAHLLOKOSA-N 1 2 348.512 3.024 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1csc2c1CCCC2 ZINC001051235436 1348407476 /nfs/dbraw/zinc/40/74/76/1348407476.db2.gz PJCDLRIZYOEDGC-OAHLLOKOSA-N 1 2 348.512 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)c3cc[nH]c3)cccc2C1 ZINC001051289545 1348419836 /nfs/dbraw/zinc/41/98/36/1348419836.db2.gz IXUGMHBZYDNNMB-UHFFFAOYSA-N 1 2 329.831 3.055 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)c3cc[nH]c3)cccc2C1 ZINC001051289545 1348419837 /nfs/dbraw/zinc/41/98/37/1348419837.db2.gz IXUGMHBZYDNNMB-UHFFFAOYSA-N 1 2 329.831 3.055 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+]([C@H](C)c3noc(C)n3)CC2)CC1 ZINC001052681935 1348629080 /nfs/dbraw/zinc/62/90/80/1348629080.db2.gz KBJMXAXEHYLWMC-RHSMWYFYSA-N 1 2 346.475 3.156 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)c3noc(C)n3)CC2)CC1 ZINC001052681935 1348629082 /nfs/dbraw/zinc/62/90/82/1348629082.db2.gz KBJMXAXEHYLWMC-RHSMWYFYSA-N 1 2 346.475 3.156 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccccc1C1CCC1)CCO2 ZINC001053520333 1349053748 /nfs/dbraw/zinc/05/37/48/1349053748.db2.gz DFNBNDUNDFMPJP-UHFFFAOYSA-N 1 2 340.467 3.057 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C)c(Cl)cc1C)O2 ZINC001053634135 1349082014 /nfs/dbraw/zinc/08/20/14/1349082014.db2.gz LADQMBWKKJXZCW-OAHLLOKOSA-N 1 2 348.874 3.106 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C(C)(C)C)oc1C)O2 ZINC001053669321 1349090611 /nfs/dbraw/zinc/09/06/11/1349090611.db2.gz WCCFMNFYZORGKC-HNNXBMFYSA-N 1 2 346.471 3.035 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@]1(C)CCC(C)=C(C)C1)CO2 ZINC001054020938 1349131298 /nfs/dbraw/zinc/13/12/98/1349131298.db2.gz XRQQRUSNQAEYFQ-HKUYNNGSSA-N 1 2 332.488 3.049 20 30 EGEDLO C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1sc(C)nc1C ZINC001054059091 1349141134 /nfs/dbraw/zinc/14/11/34/1349141134.db2.gz GKNHSNGDNUXHOL-KRWDZBQOSA-N 1 2 341.480 3.103 20 30 EGEDLO C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1sc(C)nc1C ZINC001054059091 1349141136 /nfs/dbraw/zinc/14/11/36/1349141136.db2.gz GKNHSNGDNUXHOL-KRWDZBQOSA-N 1 2 341.480 3.103 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3coc4cc(F)ccc34)cc2C1 ZINC001054270808 1349270008 /nfs/dbraw/zinc/27/00/08/1349270008.db2.gz BFRPHPKARSPDCH-UHFFFAOYSA-N 1 2 348.377 3.451 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3coc4cc(F)ccc34)cc2C1 ZINC001054270808 1349270009 /nfs/dbraw/zinc/27/00/09/1349270009.db2.gz BFRPHPKARSPDCH-UHFFFAOYSA-N 1 2 348.377 3.451 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc4cccnc4c3)cc2C1 ZINC001054285874 1349287884 /nfs/dbraw/zinc/28/78/84/1349287884.db2.gz DVWPFLBTTYWMHV-UHFFFAOYSA-N 1 2 341.414 3.114 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc4cccnc4c3)cc2C1 ZINC001054285874 1349287886 /nfs/dbraw/zinc/28/78/86/1349287886.db2.gz DVWPFLBTTYWMHV-UHFFFAOYSA-N 1 2 341.414 3.114 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc(CC)c(CC)o3)cc2C1 ZINC001054290901 1349295860 /nfs/dbraw/zinc/29/58/60/1349295860.db2.gz ZSLVEUPIVZZFCB-UHFFFAOYSA-N 1 2 336.435 3.283 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc(CC)c(CC)o3)cc2C1 ZINC001054290901 1349295863 /nfs/dbraw/zinc/29/58/63/1349295863.db2.gz ZSLVEUPIVZZFCB-UHFFFAOYSA-N 1 2 336.435 3.283 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cccc4cnccc43)cc2C1 ZINC001054292611 1349298405 /nfs/dbraw/zinc/29/84/05/1349298405.db2.gz OAHKPYIHOIITSP-UHFFFAOYSA-N 1 2 341.414 3.114 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cccc4cnccc43)cc2C1 ZINC001054292611 1349298410 /nfs/dbraw/zinc/29/84/10/1349298410.db2.gz OAHKPYIHOIITSP-UHFFFAOYSA-N 1 2 341.414 3.114 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@@H]3CCC[C@]3(CNc3cc[nH+]c(C)n3)C2)C1 ZINC001055684019 1349689096 /nfs/dbraw/zinc/68/90/96/1349689096.db2.gz DEQPDDRVDJDLSU-JXFKEZNVSA-N 1 2 340.471 3.182 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001056999422 1349971400 /nfs/dbraw/zinc/97/14/00/1349971400.db2.gz INJUWSJZYAYPBM-MRXNPFEDSA-N 1 2 330.476 3.041 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001057014314 1349974518 /nfs/dbraw/zinc/97/45/18/1349974518.db2.gz LLQATHBVHWLGEM-QFBILLFUSA-N 1 2 330.476 3.041 20 30 EGEDLO C#Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H](C)Nc2cc[nH+]c(C)n2)cc1 ZINC001058021739 1350191023 /nfs/dbraw/zinc/19/10/23/1350191023.db2.gz OYFPSJIDBRIXLX-DNVCBOLYSA-N 1 2 348.450 3.262 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H](CNc3cc[nH+]c(C)n3)C2)CC1 ZINC001060082787 1350721289 /nfs/dbraw/zinc/72/12/89/1350721289.db2.gz QKELEZMKHDFSOM-MRXNPFEDSA-N 1 2 328.460 3.182 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@@H]3CC[C@H](Nc4cc[nH+]c(C)n4)[C@H]3C2)CC1 ZINC001060550581 1350968999 /nfs/dbraw/zinc/96/89/99/1350968999.db2.gz RHGWTGCHFHDMLM-BZSNNMDCSA-N 1 2 340.471 3.180 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3ncccc3c2)C1 ZINC001080379769 1357594593 /nfs/dbraw/zinc/59/45/93/1357594593.db2.gz PNAKWFFQQVLLQA-SJKOYZFVSA-N 1 2 329.831 3.037 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3ncccc3c2)C1 ZINC001080379769 1357594595 /nfs/dbraw/zinc/59/45/95/1357594595.db2.gz PNAKWFFQQVLLQA-SJKOYZFVSA-N 1 2 329.831 3.037 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]c(C(C)C)n1 ZINC001062571671 1351595696 /nfs/dbraw/zinc/59/56/96/1351595696.db2.gz ONAXYRXTXRAPTI-FTRWYGJKSA-N 1 2 342.487 3.300 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(F)c2Cl)C1 ZINC001080508604 1357650018 /nfs/dbraw/zinc/65/00/18/1357650018.db2.gz BSTRRPXFDQZSTN-NOZJJQNGSA-N 1 2 331.218 3.282 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(F)c2Cl)C1 ZINC001080508604 1357650019 /nfs/dbraw/zinc/65/00/19/1357650019.db2.gz BSTRRPXFDQZSTN-NOZJJQNGSA-N 1 2 331.218 3.282 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001066382201 1353077653 /nfs/dbraw/zinc/07/76/53/1353077653.db2.gz AWGJQCRGZRNGBW-KRWDZBQOSA-N 1 2 343.471 3.084 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H](C)C2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC001069672382 1354205814 /nfs/dbraw/zinc/20/58/14/1354205814.db2.gz YJBVKKHNGXBVOV-HNNXBMFYSA-N 1 2 342.487 3.253 20 30 EGEDLO Cc1ccccc1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccccc1C#N ZINC001085464878 1358519755 /nfs/dbraw/zinc/51/97/55/1358519755.db2.gz OIVUHANKPVCHGN-LJQANCHMSA-N 1 2 333.435 3.213 20 30 EGEDLO Cc1ccccc1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccccc1C#N ZINC001085464878 1358519760 /nfs/dbraw/zinc/51/97/60/1358519760.db2.gz OIVUHANKPVCHGN-LJQANCHMSA-N 1 2 333.435 3.213 20 30 EGEDLO C=C(C)CC[N@@H+]1Cc2cnn(C3CCN(C(=O)C(C)(C)F)CC3)c2C1 ZINC001070341639 1354323950 /nfs/dbraw/zinc/32/39/50/1354323950.db2.gz RVGRSAPFLFTPTB-UHFFFAOYSA-N 1 2 348.466 3.077 20 30 EGEDLO C=C(C)CC[N@H+]1Cc2cnn(C3CCN(C(=O)C(C)(C)F)CC3)c2C1 ZINC001070341639 1354323954 /nfs/dbraw/zinc/32/39/54/1354323954.db2.gz RVGRSAPFLFTPTB-UHFFFAOYSA-N 1 2 348.466 3.077 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)c2ccoc2)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC001071349813 1354618771 /nfs/dbraw/zinc/61/87/71/1354618771.db2.gz MAJFFBMPCINMTF-SUMWQHHRSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)c2ccoc2)C[N@H+]1Cc1ccc(C#N)cc1F ZINC001071349813 1354618779 /nfs/dbraw/zinc/61/87/79/1354618779.db2.gz MAJFFBMPCINMTF-SUMWQHHRSA-N 1 2 341.386 3.073 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ncsc2C(C)C)C1 ZINC001080762579 1357734651 /nfs/dbraw/zinc/73/46/51/1357734651.db2.gz BGSJMXUFVFESQE-ZYHUDNBSSA-N 1 2 327.881 3.069 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ncsc2C(C)C)C1 ZINC001080762579 1357734653 /nfs/dbraw/zinc/73/46/53/1357734653.db2.gz BGSJMXUFVFESQE-ZYHUDNBSSA-N 1 2 327.881 3.069 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)c(F)c2)CC[C@H]1C ZINC001071579777 1354777165 /nfs/dbraw/zinc/77/71/65/1354777165.db2.gz JDSKBGLTSSJBAW-OCCSQVGLSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc(OC)c(F)c2)CC[C@H]1C ZINC001071579777 1354777168 /nfs/dbraw/zinc/77/71/68/1354777168.db2.gz JDSKBGLTSSJBAW-OCCSQVGLSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc(C(C)(C)C)on2)CC[C@H]1C ZINC001071679558 1354846307 /nfs/dbraw/zinc/84/63/07/1354846307.db2.gz NMMLNFGRJUVWCA-OLZOCXBDSA-N 1 2 339.867 3.307 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc(C(C)(C)C)on2)CC[C@H]1C ZINC001071679558 1354846310 /nfs/dbraw/zinc/84/63/10/1354846310.db2.gz NMMLNFGRJUVWCA-OLZOCXBDSA-N 1 2 339.867 3.307 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc(F)c(F)cc2F)CC[C@@H]1C ZINC001071772453 1354917632 /nfs/dbraw/zinc/91/76/32/1354917632.db2.gz LDLJOUHRLHLVPU-QWRGUYRKSA-N 1 2 346.780 3.439 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc(F)c(F)cc2F)CC[C@@H]1C ZINC001071772453 1354917634 /nfs/dbraw/zinc/91/76/34/1354917634.db2.gz LDLJOUHRLHLVPU-QWRGUYRKSA-N 1 2 346.780 3.439 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc(F)c(F)cc2F)CC[C@@H]1C ZINC001071772454 1354917679 /nfs/dbraw/zinc/91/76/79/1354917679.db2.gz LDLJOUHRLHLVPU-WDEREUQCSA-N 1 2 346.780 3.439 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc(F)c(F)cc2F)CC[C@@H]1C ZINC001071772454 1354917681 /nfs/dbraw/zinc/91/76/81/1354917681.db2.gz LDLJOUHRLHLVPU-WDEREUQCSA-N 1 2 346.780 3.439 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3nccs3)C2)CC1 ZINC001071789493 1354935608 /nfs/dbraw/zinc/93/56/08/1354935608.db2.gz UWHFHOUXHPDJHE-HOCLYGCPSA-N 1 2 333.501 3.359 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3nccs3)C2)CC1 ZINC001071789493 1354935610 /nfs/dbraw/zinc/93/56/10/1354935610.db2.gz UWHFHOUXHPDJHE-HOCLYGCPSA-N 1 2 333.501 3.359 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3nc(C)c(C)o3)C2)C1 ZINC001071804097 1354947771 /nfs/dbraw/zinc/94/77/71/1354947771.db2.gz XAQDFXANXMMJRX-CZUORRHYSA-N 1 2 331.460 3.117 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3nc(C)c(C)o3)C2)C1 ZINC001071804097 1354947773 /nfs/dbraw/zinc/94/77/73/1354947773.db2.gz XAQDFXANXMMJRX-CZUORRHYSA-N 1 2 331.460 3.117 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cn(C(C)C)nc2C)CC[C@@H]1C ZINC001071983054 1355059454 /nfs/dbraw/zinc/05/94/54/1355059454.db2.gz VFFITJKLNMDHST-ZFWWWQNUSA-N 1 2 338.883 3.108 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cn(C(C)C)nc2C)CC[C@@H]1C ZINC001071983054 1355059456 /nfs/dbraw/zinc/05/94/56/1355059456.db2.gz VFFITJKLNMDHST-ZFWWWQNUSA-N 1 2 338.883 3.108 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2c[nH]c3ccccc23)CC[C@H]1C ZINC001072012606 1355076322 /nfs/dbraw/zinc/07/63/22/1355076322.db2.gz PXZAQEAZHXTBBJ-ZBFHGGJFSA-N 1 2 345.874 3.432 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH]c3ccccc23)CC[C@H]1C ZINC001072012606 1355076326 /nfs/dbraw/zinc/07/63/26/1355076326.db2.gz PXZAQEAZHXTBBJ-ZBFHGGJFSA-N 1 2 345.874 3.432 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc(C)n(C(C)C)n2)CC[C@@H]1C ZINC001072127337 1355143676 /nfs/dbraw/zinc/14/36/76/1355143676.db2.gz RIFRJIKLTJXTSN-DZGCQCFKSA-N 1 2 338.883 3.108 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc(C)n(C(C)C)n2)CC[C@@H]1C ZINC001072127337 1355143677 /nfs/dbraw/zinc/14/36/77/1355143677.db2.gz RIFRJIKLTJXTSN-DZGCQCFKSA-N 1 2 338.883 3.108 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2cc3ccccc3o2)C1 ZINC001073880493 1355937670 /nfs/dbraw/zinc/93/76/70/1355937670.db2.gz KNCPSIZCCMEMLM-OAHLLOKOSA-N 1 2 348.830 3.006 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2cc3ccccc3o2)C1 ZINC001073880493 1355937675 /nfs/dbraw/zinc/93/76/75/1355937675.db2.gz KNCPSIZCCMEMLM-OAHLLOKOSA-N 1 2 348.830 3.006 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(C)cc(Cl)c3)C[C@H]21 ZINC001074298096 1356158280 /nfs/dbraw/zinc/15/82/80/1356158280.db2.gz YSXWWKBKPYXOFS-MSOLQXFVSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(C)cc(Cl)c3)C[C@H]21 ZINC001074298096 1356158281 /nfs/dbraw/zinc/15/82/81/1356158281.db2.gz YSXWWKBKPYXOFS-MSOLQXFVSA-N 1 2 348.874 3.140 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCC[N@@H+](Cc3cccc(C)c3)[C@H]2C1 ZINC001074312884 1356163653 /nfs/dbraw/zinc/16/36/53/1356163653.db2.gz UHUZYLDEGOAVRZ-RBUKOAKNSA-N 1 2 342.483 3.009 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCC[N@H+](Cc3cccc(C)c3)[C@H]2C1 ZINC001074312884 1356163656 /nfs/dbraw/zinc/16/36/56/1356163656.db2.gz UHUZYLDEGOAVRZ-RBUKOAKNSA-N 1 2 342.483 3.009 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(F)c(C)cc3F)[C@@H]2C1 ZINC001075913139 1356445234 /nfs/dbraw/zinc/44/52/34/1356445234.db2.gz BWWPFXNSYCEZJZ-BLLLJJGKSA-N 1 2 340.801 3.172 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(F)c(C)cc3F)[C@@H]2C1 ZINC001075913139 1356445238 /nfs/dbraw/zinc/44/52/38/1356445238.db2.gz BWWPFXNSYCEZJZ-BLLLJJGKSA-N 1 2 340.801 3.172 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc4ccccc4c3)[C@@H]2C1 ZINC001076293329 1356539641 /nfs/dbraw/zinc/53/96/41/1356539641.db2.gz UYJZHVJXRAOGLM-MAUKXSAKSA-N 1 2 341.842 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnc4ccccc4c3)[C@@H]2C1 ZINC001076293329 1356539643 /nfs/dbraw/zinc/53/96/43/1356539643.db2.gz UYJZHVJXRAOGLM-MAUKXSAKSA-N 1 2 341.842 3.134 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ncc(C)o1 ZINC001099098676 1363621311 /nfs/dbraw/zinc/62/13/11/1363621311.db2.gz URVHQYZULILHAI-INIZCTEOSA-N 1 2 333.476 3.446 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ncc(C)o1 ZINC001099098676 1363621313 /nfs/dbraw/zinc/62/13/13/1363621313.db2.gz URVHQYZULILHAI-INIZCTEOSA-N 1 2 333.476 3.446 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(CC)c(C)s2)C1 ZINC001080909729 1357763434 /nfs/dbraw/zinc/76/34/34/1357763434.db2.gz VRDQIYJOGHONEB-QMTHXVAHSA-N 1 2 326.893 3.422 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(CC)c(C)s2)C1 ZINC001080909729 1357763436 /nfs/dbraw/zinc/76/34/36/1357763436.db2.gz VRDQIYJOGHONEB-QMTHXVAHSA-N 1 2 326.893 3.422 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3C[C@H]3c3ccccc3)[C@@H]2C1 ZINC001084349982 1358197008 /nfs/dbraw/zinc/19/70/08/1358197008.db2.gz GRHGLBILIDHGPV-YDZRNGNQSA-N 1 2 344.886 3.465 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3C[C@H]3c3ccccc3)[C@@H]2C1 ZINC001084349982 1358197010 /nfs/dbraw/zinc/19/70/10/1358197010.db2.gz GRHGLBILIDHGPV-YDZRNGNQSA-N 1 2 344.886 3.465 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)c(C)s3)C[C@H]21 ZINC001084578149 1358242543 /nfs/dbraw/zinc/24/25/43/1358242543.db2.gz MJRNLXMCXDLNJE-HUUCEWRRSA-N 1 2 333.501 3.005 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)c(C)s3)C[C@H]21 ZINC001084578149 1358242546 /nfs/dbraw/zinc/24/25/46/1358242546.db2.gz MJRNLXMCXDLNJE-HUUCEWRRSA-N 1 2 333.501 3.005 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4ncccc4c3)[C@@H]2C1 ZINC001084625487 1358258734 /nfs/dbraw/zinc/25/87/34/1358258734.db2.gz CMHANXVZCCTEFS-SJLPKXTDSA-N 1 2 341.842 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4ncccc4c3)[C@@H]2C1 ZINC001084625487 1358258739 /nfs/dbraw/zinc/25/87/39/1358258739.db2.gz CMHANXVZCCTEFS-SJLPKXTDSA-N 1 2 341.842 3.134 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@H+](CC=C(Cl)Cl)C[C@H]32)C1 ZINC001084646206 1358268560 /nfs/dbraw/zinc/26/85/60/1358268560.db2.gz YNDLLFMWXLFIOV-CHWSQXEVSA-N 1 2 329.271 3.194 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@@H+](CC=C(Cl)Cl)C[C@H]32)C1 ZINC001084646206 1358268562 /nfs/dbraw/zinc/26/85/62/1358268562.db2.gz YNDLLFMWXLFIOV-CHWSQXEVSA-N 1 2 329.271 3.194 20 30 EGEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)cc1 ZINC001084793011 1358312204 /nfs/dbraw/zinc/31/22/04/1358312204.db2.gz GUFOLVRVBLZAJB-NHCUHLMSSA-N 1 2 345.446 3.213 20 30 EGEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)cc1 ZINC001084793011 1358312208 /nfs/dbraw/zinc/31/22/08/1358312208.db2.gz GUFOLVRVBLZAJB-NHCUHLMSSA-N 1 2 345.446 3.213 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3ccccc3)[C@@H]2C1 ZINC001084816536 1358319422 /nfs/dbraw/zinc/31/94/22/1358319422.db2.gz KGHUDQIQXDENRS-NVXWUHKLSA-N 1 2 332.875 3.249 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3ccccc3)[C@@H]2C1 ZINC001084816536 1358319423 /nfs/dbraw/zinc/31/94/23/1358319423.db2.gz KGHUDQIQXDENRS-NVXWUHKLSA-N 1 2 332.875 3.249 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1)C(=O)C1CCCC1 ZINC001085451068 1358503398 /nfs/dbraw/zinc/50/33/98/1358503398.db2.gz IXQGDJJKUYCALK-LJQANCHMSA-N 1 2 344.886 3.414 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1)C(=O)C1CCCC1 ZINC001085451068 1358503399 /nfs/dbraw/zinc/50/33/99/1358503399.db2.gz IXQGDJJKUYCALK-LJQANCHMSA-N 1 2 344.886 3.414 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)c1cccc(F)c1 ZINC001085463750 1358518603 /nfs/dbraw/zinc/51/86/03/1358518603.db2.gz MARJWGPRZSRGLN-OAHLLOKOSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)c1cccc(F)c1 ZINC001085463750 1358518606 /nfs/dbraw/zinc/51/86/06/1358518606.db2.gz MARJWGPRZSRGLN-OAHLLOKOSA-N 1 2 343.427 3.105 20 30 EGEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(Cl)sc1Cl ZINC001085640062 1358654087 /nfs/dbraw/zinc/65/40/87/1358654087.db2.gz AWPQBOAOTCKMMZ-SNVBAGLBSA-N 1 2 331.268 3.225 20 30 EGEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(Cl)sc1Cl ZINC001085640062 1358654084 /nfs/dbraw/zinc/65/40/84/1358654084.db2.gz AWPQBOAOTCKMMZ-SNVBAGLBSA-N 1 2 331.268 3.225 20 30 EGEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C2CC2)oc1C1CC1 ZINC001085730949 1358719474 /nfs/dbraw/zinc/71/94/74/1358719474.db2.gz NBCCUUHYRSNCCL-INIZCTEOSA-N 1 2 326.440 3.204 20 30 EGEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C2CC2)oc1C1CC1 ZINC001085730949 1358719478 /nfs/dbraw/zinc/71/94/78/1358719478.db2.gz NBCCUUHYRSNCCL-INIZCTEOSA-N 1 2 326.440 3.204 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2oc(CC)nc2C)CC1 ZINC001085800868 1358776457 /nfs/dbraw/zinc/77/64/57/1358776457.db2.gz DNXXLHADUAMTBB-KRWDZBQOSA-N 1 2 345.487 3.325 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2oc(CC)nc2C)CC1 ZINC001085800868 1358776461 /nfs/dbraw/zinc/77/64/61/1358776461.db2.gz DNXXLHADUAMTBB-KRWDZBQOSA-N 1 2 345.487 3.325 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1)C(=O)[C@@H]1CC12CC2 ZINC001085842114 1358809509 /nfs/dbraw/zinc/80/95/09/1358809509.db2.gz NJGRGNAFMLXLJU-MSOLQXFVSA-N 1 2 342.870 3.024 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1)C(=O)[C@@H]1CC12CC2 ZINC001085842114 1358809511 /nfs/dbraw/zinc/80/95/11/1358809511.db2.gz NJGRGNAFMLXLJU-MSOLQXFVSA-N 1 2 342.870 3.024 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccccc2C#N)CC1 ZINC001085935805 1358890334 /nfs/dbraw/zinc/89/03/34/1358890334.db2.gz OPKFVDBBDRGHHQ-ZWOKBUDYSA-N 1 2 339.483 3.417 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccccc2C#N)CC1 ZINC001085935805 1358890337 /nfs/dbraw/zinc/89/03/37/1358890337.db2.gz OPKFVDBBDRGHHQ-ZWOKBUDYSA-N 1 2 339.483 3.417 20 30 EGEDLO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc(C)cs2)C1 ZINC001087427643 1359462287 /nfs/dbraw/zinc/46/22/87/1359462287.db2.gz NEQRCYYLIKVAOU-QZTJIDSGSA-N 1 2 338.476 3.278 20 30 EGEDLO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc(C)cs2)C1 ZINC001087427643 1359462289 /nfs/dbraw/zinc/46/22/89/1359462289.db2.gz NEQRCYYLIKVAOU-QZTJIDSGSA-N 1 2 338.476 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3ncccc3o2)[C@H]1CC ZINC001087661627 1359577026 /nfs/dbraw/zinc/57/70/26/1359577026.db2.gz UVSYXCXEXIRUOS-GXTWGEPZSA-N 1 2 333.819 3.163 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3ncccc3o2)[C@H]1CC ZINC001087661627 1359577029 /nfs/dbraw/zinc/57/70/29/1359577029.db2.gz UVSYXCXEXIRUOS-GXTWGEPZSA-N 1 2 333.819 3.163 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2C)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001087687869 1359589413 /nfs/dbraw/zinc/58/94/13/1359589413.db2.gz DKPCCODVXLGUDG-SKWUIDRYSA-N 1 2 344.886 3.317 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2C)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001087687869 1359589430 /nfs/dbraw/zinc/58/94/30/1359589430.db2.gz DKPCCODVXLGUDG-SKWUIDRYSA-N 1 2 344.886 3.317 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C(C)C)no2)[C@H]1CC ZINC001087749406 1359626632 /nfs/dbraw/zinc/62/66/32/1359626632.db2.gz JPYNABKLYNBFBH-GXTWGEPZSA-N 1 2 325.840 3.133 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C(C)C)no2)[C@H]1CC ZINC001087749406 1359626636 /nfs/dbraw/zinc/62/66/36/1359626636.db2.gz JPYNABKLYNBFBH-GXTWGEPZSA-N 1 2 325.840 3.133 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCCCC[C@@H]([NH2+]Cc2noc(CCC)n2)C1 ZINC001088358980 1359842010 /nfs/dbraw/zinc/84/20/10/1359842010.db2.gz OPRRJNNXMJOUNK-OAHLLOKOSA-N 1 2 348.491 3.095 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCCCC[C@H]([NH2+][C@H](C)c2noc(C)n2)C1 ZINC001088360260 1359843871 /nfs/dbraw/zinc/84/38/71/1359843871.db2.gz UUUFSVYUCQGXJV-HIFRSBDPSA-N 1 2 334.464 3.012 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2ccco2)CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC001088448658 1359912064 /nfs/dbraw/zinc/91/20/64/1359912064.db2.gz UMXZHWFPJVECQE-PBHICJAKSA-N 1 2 342.826 3.177 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2ccco2)CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001088448658 1359912067 /nfs/dbraw/zinc/91/20/67/1359912067.db2.gz UMXZHWFPJVECQE-PBHICJAKSA-N 1 2 342.826 3.177 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C[C@@H]2C=CCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088461365 1359924162 /nfs/dbraw/zinc/92/41/62/1359924162.db2.gz DGDHTBZEBNEMQB-CLCXKQKWSA-N 1 2 341.430 3.133 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C[C@@H]2C=CCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001088461365 1359924166 /nfs/dbraw/zinc/92/41/66/1359924166.db2.gz DGDHTBZEBNEMQB-CLCXKQKWSA-N 1 2 341.430 3.133 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)oc1C ZINC001088524336 1359957950 /nfs/dbraw/zinc/95/79/50/1359957950.db2.gz QYHXRYFTFRUAEB-KDOFPFPSSA-N 1 2 337.423 3.161 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)oc1C ZINC001088524336 1359957953 /nfs/dbraw/zinc/95/79/53/1359957953.db2.gz QYHXRYFTFRUAEB-KDOFPFPSSA-N 1 2 337.423 3.161 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)c3ccccc3n2)[C@H]1C ZINC001088672700 1360010328 /nfs/dbraw/zinc/01/03/28/1360010328.db2.gz JEFKSRXVHDQUMT-ZBFHGGJFSA-N 1 2 343.858 3.488 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)c3ccccc3n2)[C@H]1C ZINC001088672700 1360010334 /nfs/dbraw/zinc/01/03/34/1360010334.db2.gz JEFKSRXVHDQUMT-ZBFHGGJFSA-N 1 2 343.858 3.488 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C2CCC2)[C@H]1C ZINC001088773964 1360037970 /nfs/dbraw/zinc/03/79/70/1360037970.db2.gz PQKOVOTVUQFZLM-OCCSQVGLSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CCC2)[C@H]1C ZINC001088773964 1360037973 /nfs/dbraw/zinc/03/79/73/1360037973.db2.gz PQKOVOTVUQFZLM-OCCSQVGLSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)C2CCCC2)[C@H]1C ZINC001088970538 1360119530 /nfs/dbraw/zinc/11/95/30/1360119530.db2.gz DWHHQZYPHDXHHW-GUTXKFCHSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C2CCCC2)[C@H]1C ZINC001088970538 1360119532 /nfs/dbraw/zinc/11/95/32/1360119532.db2.gz DWHHQZYPHDXHHW-GUTXKFCHSA-N 1 2 343.309 3.300 20 30 EGEDLO C=CCCC(=O)N[C@@H](C)C[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001089251058 1360282546 /nfs/dbraw/zinc/28/25/46/1360282546.db2.gz SPIBHCIAJDICGQ-KBPBESRZSA-N 1 2 330.476 3.325 20 30 EGEDLO Cc1cc(N[C@H](C)C[C@H](C)NC(=O)C#CC(C)C)nc(C2CC2)[nH+]1 ZINC001089308579 1360328365 /nfs/dbraw/zinc/32/83/65/1360328365.db2.gz INEOENQVNTYCLG-KGLIPLIRSA-N 1 2 328.460 3.017 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cncc(C)c1 ZINC001089623760 1360541824 /nfs/dbraw/zinc/54/18/24/1360541824.db2.gz DOZPTANDFXFCAK-INIZCTEOSA-N 1 2 335.879 3.363 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cncc(C)c1 ZINC001089623760 1360541828 /nfs/dbraw/zinc/54/18/28/1360541828.db2.gz DOZPTANDFXFCAK-INIZCTEOSA-N 1 2 335.879 3.363 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)N(CC)c1nc(C)[nH+]c(C)c1C ZINC001089721432 1360624442 /nfs/dbraw/zinc/62/44/42/1360624442.db2.gz SSQDMYHGYNHRLY-UONOGXRCSA-N 1 2 332.492 3.335 20 30 EGEDLO C=CCCC(=O)NCCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001089817674 1360677251 /nfs/dbraw/zinc/67/72/51/1360677251.db2.gz RYOXHFWPOPAIIC-UHFFFAOYSA-N 1 2 328.460 3.011 20 30 EGEDLO Cc1cc(NCCCC[C@@H](C)NC(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001090087099 1360818730 /nfs/dbraw/zinc/81/87/30/1360818730.db2.gz OOHFRQAFUGXTEQ-OAHLLOKOSA-N 1 2 342.487 3.409 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H](C)CCCCNc1cc[nH+]c(C)n1 ZINC001090123707 1360836758 /nfs/dbraw/zinc/83/67/58/1360836758.db2.gz PEUYRYACBWWATR-BEFAXECRSA-N 1 2 348.491 3.101 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@H]21 ZINC001090338798 1360893122 /nfs/dbraw/zinc/89/31/22/1360893122.db2.gz QTGNCRAQHDIZMQ-DLBZAZTESA-N 1 2 342.487 3.041 20 30 EGEDLO C#CCC1(C(=O)NC[C@H]2C[C@H](Nc3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001091463467 1361107280 /nfs/dbraw/zinc/10/72/80/1361107280.db2.gz HNNIGVJQSIWGOK-QAQDUYKDSA-N 1 2 340.471 3.066 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@@H](C)[C@H]1CCNc1cc[nH+]c(C)n1 ZINC001091658235 1361172826 /nfs/dbraw/zinc/17/28/26/1361172826.db2.gz MONGNKFYUASEMC-SJLPKXTDSA-N 1 2 342.487 3.408 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001092898423 1361480796 /nfs/dbraw/zinc/48/07/96/1361480796.db2.gz HYPQWTMBSJTUHK-IKGGRYGDSA-N 1 2 342.487 3.230 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001092917904 1361487390 /nfs/dbraw/zinc/48/73/90/1361487390.db2.gz LXMPSSQSXVDQDL-PMPSAXMXSA-N 1 2 342.487 3.176 20 30 EGEDLO C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001093371101 1361580432 /nfs/dbraw/zinc/58/04/32/1361580432.db2.gz JLRNHWFSRLYRPP-KGLIPLIRSA-N 1 2 348.384 3.166 20 30 EGEDLO C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001093371101 1361580442 /nfs/dbraw/zinc/58/04/42/1361580442.db2.gz JLRNHWFSRLYRPP-KGLIPLIRSA-N 1 2 348.384 3.166 20 30 EGEDLO C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001093371101 1361580445 /nfs/dbraw/zinc/58/04/45/1361580445.db2.gz JLRNHWFSRLYRPP-KGLIPLIRSA-N 1 2 348.384 3.166 20 30 EGEDLO C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001093371101 1361580450 /nfs/dbraw/zinc/58/04/50/1361580450.db2.gz JLRNHWFSRLYRPP-KGLIPLIRSA-N 1 2 348.384 3.166 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3sc(C)cc3C)CC2)C1 ZINC001093540888 1361637926 /nfs/dbraw/zinc/63/79/26/1361637926.db2.gz RNTQMHPGKCAPLM-UHFFFAOYSA-N 1 2 348.512 3.246 20 30 EGEDLO C=CC[C@H](Cc1ccccc1)C(=O)NCCCNc1cc[nH+]c(C)n1 ZINC001094456606 1361808368 /nfs/dbraw/zinc/80/83/68/1361808368.db2.gz KQRKUDNBQKBCBC-GOSISDBHSA-N 1 2 338.455 3.138 20 30 EGEDLO N#CCOc1cccc(C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)c1 ZINC001324130564 1387545982 /nfs/dbraw/zinc/54/59/82/1387545982.db2.gz UXAADYCHOWRSEL-KRWDZBQOSA-N 1 2 325.416 3.118 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001095084996 1362007765 /nfs/dbraw/zinc/00/77/65/1362007765.db2.gz GOIIHUPTSGTEMI-OAHLLOKOSA-N 1 2 342.487 3.279 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cccs2)C3)s1 ZINC001095128996 1362025112 /nfs/dbraw/zinc/02/51/12/1362025112.db2.gz IJOBERVIKPQABE-UGFHNGPFSA-N 1 2 343.477 3.217 20 30 EGEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cccs2)C3)s1 ZINC001095128996 1362025116 /nfs/dbraw/zinc/02/51/16/1362025116.db2.gz IJOBERVIKPQABE-UGFHNGPFSA-N 1 2 343.477 3.217 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001095150681 1362033105 /nfs/dbraw/zinc/03/31/05/1362033105.db2.gz QFGBQQTZRNETRC-DLBZAZTESA-N 1 2 330.476 3.041 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095202525 1362051165 /nfs/dbraw/zinc/05/11/65/1362051165.db2.gz OVAURYRTHIDSOM-GDBMZVCRSA-N 1 2 342.487 3.159 20 30 EGEDLO C=C(C)CCC(=O)N1CCC(Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095239325 1362063809 /nfs/dbraw/zinc/06/38/09/1362063809.db2.gz IFXMKKVEFZFTCY-UHFFFAOYSA-N 1 2 328.460 3.422 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095323128 1362100694 /nfs/dbraw/zinc/10/06/94/1362100694.db2.gz PORZEQOGNCBWSI-INIZCTEOSA-N 1 2 328.460 3.422 20 30 EGEDLO C=CCCCC(=O)NCC1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095376448 1362120612 /nfs/dbraw/zinc/12/06/12/1362120612.db2.gz YKOWQZGTQCLFLA-UHFFFAOYSA-N 1 2 342.487 3.351 20 30 EGEDLO C=CCC1(C(=O)NCCCN(C)c2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001095727788 1362214724 /nfs/dbraw/zinc/21/47/24/1362214724.db2.gz COGBBGMOUABPLA-UHFFFAOYSA-N 1 2 342.487 3.351 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(OCC)c1)C2 ZINC001096071095 1362367148 /nfs/dbraw/zinc/36/71/48/1362367148.db2.gz ZEFHCWZDAPSNIJ-PVAVHDDUSA-N 1 2 334.847 3.173 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(OCC)c1)C2 ZINC001096071095 1362367151 /nfs/dbraw/zinc/36/71/51/1362367151.db2.gz ZEFHCWZDAPSNIJ-PVAVHDDUSA-N 1 2 334.847 3.173 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096222394 1362440094 /nfs/dbraw/zinc/44/00/94/1362440094.db2.gz WHTWPWDMCWXUIN-NVXWUHKLSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1OCC)C2 ZINC001096464967 1362520790 /nfs/dbraw/zinc/52/07/90/1362520790.db2.gz FLCNXWMQRHLLOD-KBMXLJTQSA-N 1 2 334.847 3.173 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1OCC)C2 ZINC001096464967 1362520791 /nfs/dbraw/zinc/52/07/91/1362520791.db2.gz FLCNXWMQRHLLOD-KBMXLJTQSA-N 1 2 334.847 3.173 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096479633 1362529716 /nfs/dbraw/zinc/52/97/16/1362529716.db2.gz 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C=CCC1(C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001097194280 1362881723 /nfs/dbraw/zinc/88/17/23/1362881723.db2.gz CRTUMFRKCBIWDM-IYBDPMFKSA-N 1 2 328.460 3.371 20 30 EGEDLO C=CCCC(=O)N1CCCC[C@@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001097474258 1363010143 /nfs/dbraw/zinc/01/01/43/1363010143.db2.gz IFHWOJIRWKDRBK-MRXNPFEDSA-N 1 2 328.460 3.422 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001097539790 1363047706 /nfs/dbraw/zinc/04/77/06/1363047706.db2.gz IRMUZVMSJJSBMG-ZBFHGGJFSA-N 1 2 330.476 3.108 20 30 EGEDLO C=CCC1(C(=O)N2C[C@@H]3CC[C@@H](Nc4cc[nH+]c(C)n4)[C@H]3C2)CCC1 ZINC001097605741 1363070223 /nfs/dbraw/zinc/07/02/23/1363070223.db2.gz CGZSAHBQCLLSBM-YESZJQIVSA-N 1 2 340.471 3.180 20 30 EGEDLO C=CCCC1(C(=O)N2C[C@@H]3CC[C@@H](Nc4cc[nH+]c(C)n4)[C@@H]3C2)CC1 ZINC001097608542 1363072820 /nfs/dbraw/zinc/07/28/20/1363072820.db2.gz IBBOGXUEVLSEOQ-GVDBMIGSSA-N 1 2 340.471 3.180 20 30 EGEDLO CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C1CC1 ZINC001097682953 1363099308 /nfs/dbraw/zinc/09/93/08/1363099308.db2.gz MGNGAQCBOCFNBZ-QRVBRYPASA-N 1 2 337.467 3.216 20 30 EGEDLO CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C1CC1 ZINC001097682953 1363099311 /nfs/dbraw/zinc/09/93/11/1363099311.db2.gz MGNGAQCBOCFNBZ-QRVBRYPASA-N 1 2 337.467 3.216 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(Cl)nc2)C1 ZINC001097802411 1363124003 /nfs/dbraw/zinc/12/40/03/1363124003.db2.gz HPJNYBIHIWQCNG-OAGGEKHMSA-N 1 2 345.874 3.313 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(Cl)nc2)C1 ZINC001097802411 1363124007 /nfs/dbraw/zinc/12/40/07/1363124007.db2.gz HPJNYBIHIWQCNG-OAGGEKHMSA-N 1 2 345.874 3.313 20 30 EGEDLO C=CCO[C@H](C)C(=O)NC[C@@H](C)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001097918926 1363166899 /nfs/dbraw/zinc/16/68/99/1363166899.db2.gz CKVHDTHSQCYNSF-HUUCEWRRSA-N 1 2 348.491 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1F)C2 ZINC001098005628 1363194729 /nfs/dbraw/zinc/19/47/29/1363194729.db2.gz YOGTZWCBTXWWMA-KGKJWKRHSA-N 1 2 348.849 3.403 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1F)C2 ZINC001098005628 1363194732 /nfs/dbraw/zinc/19/47/32/1363194732.db2.gz YOGTZWCBTXWWMA-KGKJWKRHSA-N 1 2 348.849 3.403 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(N(C)CC)cc1)C2 ZINC001098491120 1363341731 /nfs/dbraw/zinc/34/17/31/1363341731.db2.gz ZSZYSVLJGHHJEQ-KURKYZTESA-N 1 2 347.890 3.230 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(N(C)CC)cc1)C2 ZINC001098491120 1363341735 /nfs/dbraw/zinc/34/17/35/1363341735.db2.gz ZSZYSVLJGHHJEQ-KURKYZTESA-N 1 2 347.890 3.230 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001098605380 1363395770 /nfs/dbraw/zinc/39/57/70/1363395770.db2.gz FSBMXDZLVOUUNB-HOTGVXAUSA-N 1 2 328.460 3.468 20 30 EGEDLO C=CCCCC(=O)NCc1ccc(CCNc2cc[nH+]c(C)n2)cc1 ZINC001098665832 1363426540 /nfs/dbraw/zinc/42/65/40/1363426540.db2.gz HGXZSZKJRRCBBT-UHFFFAOYSA-N 1 2 338.455 3.412 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001098720316 1363449227 /nfs/dbraw/zinc/44/92/27/1363449227.db2.gz YUDUYNSROHPHFB-RDTXWAMCSA-N 1 2 344.503 3.431 20 30 EGEDLO C=C(Br)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC ZINC001098861970 1363495649 /nfs/dbraw/zinc/49/56/49/1363495649.db2.gz KOWACIVCKVAVPF-CYBMUJFWSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC ZINC001098861970 1363495651 /nfs/dbraw/zinc/49/56/51/1363495651.db2.gz KOWACIVCKVAVPF-CYBMUJFWSA-N 1 2 331.298 3.302 20 30 EGEDLO C#CCCCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nocc1C ZINC001099029031 1363583691 /nfs/dbraw/zinc/58/36/91/1363583691.db2.gz PZKVOHRHNGXHMM-QGZVFWFLSA-N 1 2 345.487 3.283 20 30 EGEDLO C#CCCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nocc1C ZINC001099029031 1363583696 /nfs/dbraw/zinc/58/36/96/1363583696.db2.gz PZKVOHRHNGXHMM-QGZVFWFLSA-N 1 2 345.487 3.283 20 30 EGEDLO C#CCCCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1cc(C)on1 ZINC001099029188 1363584036 /nfs/dbraw/zinc/58/40/36/1363584036.db2.gz VJTSHGJJTDNOTF-GOSISDBHSA-N 1 2 345.487 3.283 20 30 EGEDLO C#CCCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1cc(C)on1 ZINC001099029188 1363584041 /nfs/dbraw/zinc/58/40/41/1363584041.db2.gz VJTSHGJJTDNOTF-GOSISDBHSA-N 1 2 345.487 3.283 20 30 EGEDLO C#CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1cscn1 ZINC001099043501 1363590462 /nfs/dbraw/zinc/59/04/62/1363590462.db2.gz ONDJSNKKARDKJT-MRXNPFEDSA-N 1 2 333.501 3.053 20 30 EGEDLO C#CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1cscn1 ZINC001099043501 1363590463 /nfs/dbraw/zinc/59/04/63/1363590463.db2.gz ONDJSNKKARDKJT-MRXNPFEDSA-N 1 2 333.501 3.053 20 30 EGEDLO C=CC[C@@H](C(=O)NCC[C@H](C)Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC001099214654 1363695769 /nfs/dbraw/zinc/69/57/69/1363695769.db2.gz URHXSGJAGHUWTO-MAUKXSAKSA-N 1 2 338.455 3.452 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCC2CCCCC2)[C@@H](O)C1 ZINC001100094656 1364016053 /nfs/dbraw/zinc/01/60/53/1364016053.db2.gz PXZBBGDEBDSOIO-SJORKVTESA-N 1 2 342.911 3.041 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCC2CCCCC2)[C@@H](O)C1 ZINC001100094656 1364016056 /nfs/dbraw/zinc/01/60/56/1364016056.db2.gz PXZBBGDEBDSOIO-SJORKVTESA-N 1 2 342.911 3.041 20 30 EGEDLO CCN(CCNC(=O)C#CC(C)C)c1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001100518613 1364144018 /nfs/dbraw/zinc/14/40/18/1364144018.db2.gz QDXOTEJXZZEKAX-UHFFFAOYSA-N 1 2 344.503 3.325 20 30 EGEDLO C=CC[C@@H](C(=O)NCCN(CC)c1cc[nH+]c(C)n1)c1ccccc1 ZINC001100540304 1364152658 /nfs/dbraw/zinc/15/26/58/1364152658.db2.gz JBSKSOUKTRKEQW-GOSISDBHSA-N 1 2 338.455 3.087 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCN(CC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001100684058 1364217290 /nfs/dbraw/zinc/21/72/90/1364217290.db2.gz FLDJRPSXHKUNDN-MRXNPFEDSA-N 1 2 332.492 3.453 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCN(CC)c1nc(C)[nH+]c2c1CCCC2 ZINC001100691601 1364220416 /nfs/dbraw/zinc/22/04/16/1364220416.db2.gz URGMXIVHMCUUQO-HUUCEWRRSA-N 1 2 344.503 3.065 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCN(CCC)c1nc(C)[nH+]c(C)c1C ZINC001101224055 1364472964 /nfs/dbraw/zinc/47/29/64/1364472964.db2.gz UFOGKRTVKSBLKQ-KGLIPLIRSA-N 1 2 332.492 3.193 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCCN(c1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001101426940 1364558475 /nfs/dbraw/zinc/55/84/75/1364558475.db2.gz FSYDFEUWUGQIKM-HOCLYGCPSA-N 1 2 344.503 3.452 20 30 EGEDLO C=CCCCC(=O)NCCN(c1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001101432583 1364561192 /nfs/dbraw/zinc/56/11/92/1364561192.db2.gz FDZNIMSXKOAAOQ-UHFFFAOYSA-N 1 2 328.460 3.104 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](CCCC)C(C)C)c1nccn12 ZINC001101653060 1364674866 /nfs/dbraw/zinc/67/48/66/1364674866.db2.gz ZHMDRMOZKARMSN-IAGOWNOFSA-N 1 2 344.503 3.103 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC(CN(C)c2cc[nH+]c(C)n2)CC1 ZINC001102466788 1365071709 /nfs/dbraw/zinc/07/17/09/1365071709.db2.gz VFGFVBSFJNRNAJ-UHFFFAOYSA-N 1 2 342.487 3.228 20 30 EGEDLO C=CCCC(=O)N(CC)[C@H]1CCN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC001102781850 1365216048 /nfs/dbraw/zinc/21/60/48/1365216048.db2.gz ODVLPTPDEKUUAZ-INIZCTEOSA-N 1 2 342.487 3.057 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102880420 1365269361 /nfs/dbraw/zinc/26/93/61/1365269361.db2.gz HZCYGHDTGKESJM-RDTXWAMCSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CCCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102882807 1365271708 /nfs/dbraw/zinc/27/17/08/1365271708.db2.gz VJRGYGUZDAYKFE-QZTJIDSGSA-N 1 2 344.503 3.479 20 30 EGEDLO C=CCCCC(=O)NCC[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102945259 1365309022 /nfs/dbraw/zinc/30/90/22/1365309022.db2.gz RCAYESWQRNSMCJ-SFHVURJKSA-N 1 2 344.503 3.481 20 30 EGEDLO Cc1cc(NCC2(NC(=O)C#CC3CC3)CCCC2)nc(C(C)C)[nH+]1 ZINC001103427169 1365553910 /nfs/dbraw/zinc/55/39/10/1365553910.db2.gz DJNCROOYEKOQHE-UHFFFAOYSA-N 1 2 340.471 3.163 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001103616503 1365680527 /nfs/dbraw/zinc/68/05/27/1365680527.db2.gz PZNZWSHHEKBNCO-RDJZCZTQSA-N 1 2 330.476 3.428 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001104158821 1365930121 /nfs/dbraw/zinc/93/01/21/1365930121.db2.gz CSPJQVVYWWGZSG-HNNXBMFYSA-N 1 2 330.476 3.266 20 30 EGEDLO Cc1cc(NC2(CNC(=O)C#CC(C)C)CCCC2)nc(C(C)C)[nH+]1 ZINC001104392563 1366002015 /nfs/dbraw/zinc/00/20/15/1366002015.db2.gz JWOZNCGHHVOVET-UHFFFAOYSA-N 1 2 342.487 3.409 20 30 EGEDLO CC(C)c1cc(NC[C@@H](C)N(C)C(=O)[C@@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001104523957 1366061541 /nfs/dbraw/zinc/06/15/41/1366061541.db2.gz HBVPEJAFWUMYRG-UONOGXRCSA-N 1 2 331.464 3.142 20 30 EGEDLO C=CCOCCCC(=O)N(C)[C@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001104539258 1366066105 /nfs/dbraw/zinc/06/61/05/1366066105.db2.gz XENGUGXYAABJRB-MRXNPFEDSA-N 1 2 348.491 3.150 20 30 EGEDLO CC#CCCCC(=O)N(C)[C@@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001104770659 1366165124 /nfs/dbraw/zinc/16/51/24/1366165124.db2.gz BNVCJKNHBSSYKD-INIZCTEOSA-N 1 2 330.476 3.361 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC001105674380 1366566502 /nfs/dbraw/zinc/56/65/02/1366566502.db2.gz DSWNJVZSUGDYKE-DLBZAZTESA-N 1 2 328.460 3.250 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC(OC2C[NH+](CC=C(C)C)C2)CC1 ZINC001105726188 1366586514 /nfs/dbraw/zinc/58/65/14/1366586514.db2.gz FMGNDUKMTGFPIE-UHFFFAOYSA-N 1 2 334.504 3.247 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2c(Cl)cccc2OC)C1 ZINC001189319349 1366988149 /nfs/dbraw/zinc/98/81/49/1366988149.db2.gz XWKFYTWRCHGCPJ-CQSZACIVSA-N 1 2 336.863 3.348 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]([N@H+](C)Cc2c(Cl)cccc2OC)C1 ZINC001189319349 1366988155 /nfs/dbraw/zinc/98/81/55/1366988155.db2.gz XWKFYTWRCHGCPJ-CQSZACIVSA-N 1 2 336.863 3.348 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001109265920 1367033731 /nfs/dbraw/zinc/03/37/31/1367033731.db2.gz YNXSLUHYLGMLDS-HNNXBMFYSA-N 1 2 332.492 3.452 20 30 EGEDLO COC(=O)c1cccc(CSCc2cc(OC)cc(C)[nH+]2)c1C#N ZINC001324959189 1387852646 /nfs/dbraw/zinc/85/26/46/1387852646.db2.gz ZUSAGEZMWJQAMR-UHFFFAOYSA-N 1 2 342.420 3.490 20 30 EGEDLO CCCCCCCCC(=O)N[C@H](C)CNc1[nH+]cnc2c1cnn2C ZINC001107730026 1367119923 /nfs/dbraw/zinc/11/99/23/1367119923.db2.gz OHSGFCGMXYGZNP-CQSZACIVSA-N 1 2 346.479 3.031 20 30 EGEDLO C#CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2c(F)cccc2Cl)C1 ZINC001189910953 1367129627 /nfs/dbraw/zinc/12/96/27/1367129627.db2.gz VGJIJKSLNGHDDQ-AWEZNQCLSA-N 1 2 336.838 3.315 20 30 EGEDLO C#CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2c(F)cccc2Cl)C1 ZINC001189910953 1367129632 /nfs/dbraw/zinc/12/96/32/1367129632.db2.gz VGJIJKSLNGHDDQ-AWEZNQCLSA-N 1 2 336.838 3.315 20 30 EGEDLO C=CCC[C@@H](C(=O)N[C@H](C)CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001107832581 1367164721 /nfs/dbraw/zinc/16/47/21/1367164721.db2.gz IIBSBGWBJZOSIV-CRAIPNDOSA-N 1 2 338.455 3.452 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1ncc(C)o1 ZINC001109596357 1367220604 /nfs/dbraw/zinc/22/06/04/1367220604.db2.gz NHTZNLUQXMOTSX-WCVJEAGWSA-N 1 2 331.460 3.368 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1ncc(C)o1 ZINC001109596357 1367220608 /nfs/dbraw/zinc/22/06/08/1367220608.db2.gz NHTZNLUQXMOTSX-WCVJEAGWSA-N 1 2 331.460 3.368 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccccc2C(C)(C)CC)C1 ZINC001108018949 1367242880 /nfs/dbraw/zinc/24/28/80/1367242880.db2.gz WPWQRPFXTVTETG-NRFANRHFSA-N 1 2 344.499 3.381 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccccc2C(C)(C)CC)C1 ZINC001108018949 1367242882 /nfs/dbraw/zinc/24/28/82/1367242882.db2.gz WPWQRPFXTVTETG-NRFANRHFSA-N 1 2 344.499 3.381 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C(C)(C)C)o2)C1 ZINC001190435256 1367263633 /nfs/dbraw/zinc/26/36/33/1367263633.db2.gz DUDVMISYQMFVOR-HNNXBMFYSA-N 1 2 333.476 3.361 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C(C)(C)C)o2)C1 ZINC001190435256 1367263637 /nfs/dbraw/zinc/26/36/37/1367263637.db2.gz DUDVMISYQMFVOR-HNNXBMFYSA-N 1 2 333.476 3.361 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccccc1C)C2 ZINC001109757558 1367304603 /nfs/dbraw/zinc/30/46/03/1367304603.db2.gz KTWVYQGVSCWXNA-SQNIBIBYSA-N 1 2 332.875 3.402 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccccc1C)C2 ZINC001109757558 1367304609 /nfs/dbraw/zinc/30/46/09/1367304609.db2.gz KTWVYQGVSCWXNA-SQNIBIBYSA-N 1 2 332.875 3.402 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@]1(C)C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC001108148784 1367310498 /nfs/dbraw/zinc/31/04/98/1367310498.db2.gz OHGCTKIESZJRON-OXJNMPFZSA-N 1 2 348.462 3.135 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC001108148784 1367310501 /nfs/dbraw/zinc/31/05/01/1367310501.db2.gz OHGCTKIESZJRON-OXJNMPFZSA-N 1 2 348.462 3.135 20 30 EGEDLO C=CCCCC(=O)NC[C@@]1(C)C[N@H+]([C@H](C)c2cccc(F)c2)CCO1 ZINC001108173386 1367323751 /nfs/dbraw/zinc/32/37/51/1367323751.db2.gz PMQQSAHMDXDKSO-UZLBHIALSA-N 1 2 348.462 3.450 20 30 EGEDLO C=CCCCC(=O)NC[C@@]1(C)C[N@@H+]([C@H](C)c2cccc(F)c2)CCO1 ZINC001108173386 1367323756 /nfs/dbraw/zinc/32/37/56/1367323756.db2.gz PMQQSAHMDXDKSO-UZLBHIALSA-N 1 2 348.462 3.450 20 30 EGEDLO C=CCC1(C(=O)NC[C@@]2(C)C[N@H+](Cc3ccsc3)CCO2)CCC1 ZINC001108187221 1367330492 /nfs/dbraw/zinc/33/04/92/1367330492.db2.gz BVWGJKDUOFPBBD-SFHVURJKSA-N 1 2 348.512 3.202 20 30 EGEDLO C=CCC1(C(=O)NC[C@@]2(C)C[N@@H+](Cc3ccsc3)CCO2)CCC1 ZINC001108187221 1367330496 /nfs/dbraw/zinc/33/04/96/1367330496.db2.gz BVWGJKDUOFPBBD-SFHVURJKSA-N 1 2 348.512 3.202 20 30 EGEDLO C#CCCCC(=O)N[C@@H](CNc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001109817470 1367340101 /nfs/dbraw/zinc/34/01/01/1367340101.db2.gz WSYCBRWMWQZOBX-INIZCTEOSA-N 1 2 328.460 3.019 20 30 EGEDLO C=CCC1(S(=O)(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC001190766121 1367345184 /nfs/dbraw/zinc/34/51/84/1367345184.db2.gz MRNPHPQBKIOZFG-SJORKVTESA-N 1 2 348.512 3.020 20 30 EGEDLO C=CCC1(S(=O)(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC001190766121 1367345189 /nfs/dbraw/zinc/34/51/89/1367345189.db2.gz MRNPHPQBKIOZFG-SJORKVTESA-N 1 2 348.512 3.020 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC001108246640 1367360375 /nfs/dbraw/zinc/36/03/75/1367360375.db2.gz RUWDMLAAWONMCF-FQEVSTJZSA-N 1 2 348.462 3.135 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC001108246640 1367360378 /nfs/dbraw/zinc/36/03/78/1367360378.db2.gz RUWDMLAAWONMCF-FQEVSTJZSA-N 1 2 348.462 3.135 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](CC2CCCC2)C(C)C)C1 ZINC001108258762 1367367861 /nfs/dbraw/zinc/36/78/61/1367367861.db2.gz URTNBXJJIZQXCO-UYAOXDASSA-N 1 2 336.520 3.232 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](CC2CCCC2)C(C)C)C1 ZINC001108258762 1367367865 /nfs/dbraw/zinc/36/78/65/1367367865.db2.gz URTNBXJJIZQXCO-UYAOXDASSA-N 1 2 336.520 3.232 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1cccnc1)C(C)C)C2 ZINC001109888811 1367384729 /nfs/dbraw/zinc/38/47/29/1367384729.db2.gz YEBRWUDEVRIRDR-VSZNYVQBSA-N 1 2 347.890 3.295 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1cccnc1)C(C)C)C2 ZINC001109888811 1367384734 /nfs/dbraw/zinc/38/47/34/1367384734.db2.gz YEBRWUDEVRIRDR-VSZNYVQBSA-N 1 2 347.890 3.295 20 30 EGEDLO Cc1cccc(CNC(=O)Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c1 ZINC001190961763 1367389979 /nfs/dbraw/zinc/38/99/79/1367389979.db2.gz ARWJNCRWPIOCGF-UHFFFAOYSA-N 1 2 340.452 3.238 20 30 EGEDLO Cc1cccc(CNC(=O)Nc2sc3c(c2C#N)CC[N@H+](C)C3)c1 ZINC001190961763 1367389981 /nfs/dbraw/zinc/38/99/81/1367389981.db2.gz ARWJNCRWPIOCGF-UHFFFAOYSA-N 1 2 340.452 3.238 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](CCCCC)C(C)C)C1 ZINC001108328222 1367392414 /nfs/dbraw/zinc/39/24/14/1367392414.db2.gz DBYFBBYGEMZNRI-UYAOXDASSA-N 1 2 336.520 3.069 20 30 EGEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](CCCCC)C(C)C)C1 ZINC001108328222 1367392420 /nfs/dbraw/zinc/39/24/20/1367392420.db2.gz DBYFBBYGEMZNRI-UYAOXDASSA-N 1 2 336.520 3.069 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc3cc(C)c(C)cc3o2)C1 ZINC001108343869 1367402033 /nfs/dbraw/zinc/40/20/33/1367402033.db2.gz BYNBQODBRHEJAE-FQEVSTJZSA-N 1 2 342.439 3.056 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc3cc(C)c(C)cc3o2)C1 ZINC001108343869 1367402034 /nfs/dbraw/zinc/40/20/34/1367402034.db2.gz BYNBQODBRHEJAE-FQEVSTJZSA-N 1 2 342.439 3.056 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H](CNc1nc(C)[nH+]c2c1CCCC2)C1CC1 ZINC001109947799 1367419277 /nfs/dbraw/zinc/41/92/77/1367419277.db2.gz QNNZNWWALIXNAL-QGZVFWFLSA-N 1 2 342.487 3.183 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001108672066 1367524847 /nfs/dbraw/zinc/52/48/47/1367524847.db2.gz DJAOPUHWOGUMLA-ORAYPTAESA-N 1 2 330.476 3.183 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2csc(CC)n2)C1 ZINC001191763662 1367580157 /nfs/dbraw/zinc/58/01/57/1367580157.db2.gz NDGZBEDONNTDDS-QGZVFWFLSA-N 1 2 347.528 3.322 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2csc(CC)n2)C1 ZINC001191763662 1367580163 /nfs/dbraw/zinc/58/01/63/1367580163.db2.gz NDGZBEDONNTDDS-QGZVFWFLSA-N 1 2 347.528 3.322 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2cnc(Cl)s2)C1 ZINC001191911735 1367634473 /nfs/dbraw/zinc/63/44/73/1367634473.db2.gz JLIBWOZZDYOPBH-CHWSQXEVSA-N 1 2 341.908 3.432 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cnc(Cl)s2)C1 ZINC001191911735 1367634480 /nfs/dbraw/zinc/63/44/80/1367634480.db2.gz JLIBWOZZDYOPBH-CHWSQXEVSA-N 1 2 341.908 3.432 20 30 EGEDLO C=C1CCC(C(=O)NCC2(Nc3cc(C)[nH+]c(C4CC4)n3)CC2)CC1 ZINC001110326481 1367642726 /nfs/dbraw/zinc/64/27/26/1367642726.db2.gz UKLCHTRCUDIVKJ-UHFFFAOYSA-N 1 2 340.471 3.470 20 30 EGEDLO N#Cc1ccc(C(=O)Nc2ccn3cc[nH+]c3c2)c(C(F)(F)F)c1 ZINC001192088332 1367683734 /nfs/dbraw/zinc/68/37/34/1367683734.db2.gz MMRXCJDRCJPNTR-UHFFFAOYSA-N 1 2 330.269 3.477 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2cc(O)ccc2Cl)C1 ZINC001192094820 1367685714 /nfs/dbraw/zinc/68/57/14/1367685714.db2.gz WKLZVGWKTQGHAO-HNNXBMFYSA-N 1 2 336.863 3.435 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(O)ccc2Cl)C1 ZINC001192094820 1367685716 /nfs/dbraw/zinc/68/57/16/1367685716.db2.gz WKLZVGWKTQGHAO-HNNXBMFYSA-N 1 2 336.863 3.435 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC2(C1)CCN(c1cc[nH+]c(C)n1)CC2 ZINC001110463460 1367754071 /nfs/dbraw/zinc/75/40/71/1367754071.db2.gz JGZIAWJUPUOWHW-UHFFFAOYSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]2CCN(c3cc(C)[nH+]c(C(C)C)n3)[C@H]2C1 ZINC001110487518 1367774932 /nfs/dbraw/zinc/77/49/32/1367774932.db2.gz JDQQHJICVKCIDF-SJORKVTESA-N 1 2 342.487 3.302 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]2CCN(c3nc(C)[nH+]c(C)c3C)[C@@H]2C1 ZINC001110494065 1367781353 /nfs/dbraw/zinc/78/13/53/1367781353.db2.gz GXQZPHKIXULGEM-QZTJIDSGSA-N 1 2 342.487 3.185 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)s1 ZINC001110533710 1367813904 /nfs/dbraw/zinc/81/39/04/1367813904.db2.gz CHKSLZPRZGQVDW-YUELXQCFSA-N 1 2 336.888 3.282 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)s1 ZINC001110533710 1367813908 /nfs/dbraw/zinc/81/39/08/1367813908.db2.gz CHKSLZPRZGQVDW-YUELXQCFSA-N 1 2 336.888 3.282 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001110598918 1367860150 /nfs/dbraw/zinc/86/01/50/1367860150.db2.gz RWPANKGROMHNMO-ZACQAIPSSA-N 1 2 331.435 3.045 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001110598918 1367860154 /nfs/dbraw/zinc/86/01/54/1367860154.db2.gz RWPANKGROMHNMO-ZACQAIPSSA-N 1 2 331.435 3.045 20 30 EGEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC=C(Cl)Cl)CCC1 ZINC001110652711 1367896562 /nfs/dbraw/zinc/89/65/62/1367896562.db2.gz QSNRCROQSXORNM-MCIONIFRSA-N 1 2 341.282 3.221 20 30 EGEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC=C(Cl)Cl)CCC1 ZINC001110652711 1367896566 /nfs/dbraw/zinc/89/65/66/1367896566.db2.gz QSNRCROQSXORNM-MCIONIFRSA-N 1 2 341.282 3.221 20 30 EGEDLO CC#CCCCC(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C1CCCC1 ZINC001110672957 1367913065 /nfs/dbraw/zinc/91/30/65/1367913065.db2.gz LNYHLTKLADCXNX-KRWDZBQOSA-N 1 2 328.460 3.066 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)CC(C)C)C1 ZINC001193087912 1367940843 /nfs/dbraw/zinc/94/08/43/1367940843.db2.gz MQZDVTGFMWUTIT-GXTWGEPZSA-N 1 2 331.298 3.110 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)CC(C)C)C1 ZINC001193087912 1367940837 /nfs/dbraw/zinc/94/08/37/1367940837.db2.gz MQZDVTGFMWUTIT-GXTWGEPZSA-N 1 2 331.298 3.110 20 30 EGEDLO CC(C)C[C@@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001193088380 1367941758 /nfs/dbraw/zinc/94/17/58/1367941758.db2.gz UUADJIXSNGNULN-BEFAXECRSA-N 1 2 345.462 3.412 20 30 EGEDLO CC(C)C[C@@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001193088380 1367941761 /nfs/dbraw/zinc/94/17/61/1367941761.db2.gz UUADJIXSNGNULN-BEFAXECRSA-N 1 2 345.462 3.412 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](OCC)C1CCCC1)C2 ZINC001110865687 1368044384 /nfs/dbraw/zinc/04/43/84/1368044384.db2.gz AYPXCHXFVKIJGB-NCOADZHNSA-N 1 2 340.895 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](OCC)C1CCCC1)C2 ZINC001110865687 1368044387 /nfs/dbraw/zinc/04/43/87/1368044387.db2.gz AYPXCHXFVKIJGB-NCOADZHNSA-N 1 2 340.895 3.056 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cccc(C)c1)C2 ZINC001110869607 1368047670 /nfs/dbraw/zinc/04/76/70/1368047670.db2.gz FABJURKMOCXBFY-KURKYZTESA-N 1 2 332.875 3.402 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cccc(C)c1)C2 ZINC001110869607 1368047676 /nfs/dbraw/zinc/04/76/76/1368047676.db2.gz FABJURKMOCXBFY-KURKYZTESA-N 1 2 332.875 3.402 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001110932900 1368103285 /nfs/dbraw/zinc/10/32/85/1368103285.db2.gz BZENGHAULBKSLV-JJXSEGSLSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001110932900 1368103281 /nfs/dbraw/zinc/10/32/81/1368103281.db2.gz BZENGHAULBKSLV-JJXSEGSLSA-N 1 2 333.501 3.275 20 30 EGEDLO CC(C)[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001111086441 1368155611 /nfs/dbraw/zinc/15/56/11/1368155611.db2.gz RWDSCVPMLXWVPY-PIKADFDJSA-N 1 2 325.456 3.072 20 30 EGEDLO CC(C)[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001111086441 1368155620 /nfs/dbraw/zinc/15/56/20/1368155620.db2.gz RWDSCVPMLXWVPY-PIKADFDJSA-N 1 2 325.456 3.072 20 30 EGEDLO CC(C)[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001111086846 1368157518 /nfs/dbraw/zinc/15/75/18/1368157518.db2.gz CBUKVPOJULULFI-QVSURHGTSA-N 1 2 343.446 3.211 20 30 EGEDLO CC(C)[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001111086846 1368157519 /nfs/dbraw/zinc/15/75/19/1368157519.db2.gz CBUKVPOJULULFI-QVSURHGTSA-N 1 2 343.446 3.211 20 30 EGEDLO C=CCOC(=O)NC1CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC001194343421 1368238538 /nfs/dbraw/zinc/23/85/38/1368238538.db2.gz RRUOIGXUTSKGND-UHFFFAOYSA-N 1 2 326.799 3.356 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1CC[C@H](CNc2cc[nH+]c(C)n2)CC1 ZINC001111276746 1368243410 /nfs/dbraw/zinc/24/34/10/1368243410.db2.gz JYOHWHKFWQJHMK-QAQDUYKDSA-N 1 2 330.476 3.476 20 30 EGEDLO C#CCCCC(=O)N(CCNc1cc[nH+]c(C)n1)Cc1ccccc1 ZINC001111282957 1368251219 /nfs/dbraw/zinc/25/12/19/1368251219.db2.gz SICGIKZACJONPN-UHFFFAOYSA-N 1 2 336.439 3.029 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccccc1F)C2 ZINC001111392022 1368287857 /nfs/dbraw/zinc/28/78/57/1368287857.db2.gz ONJMXBAJSZOBAA-OIISXLGYSA-N 1 2 336.838 3.232 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccccc1F)C2 ZINC001111392022 1368287864 /nfs/dbraw/zinc/28/78/64/1368287864.db2.gz ONJMXBAJSZOBAA-OIISXLGYSA-N 1 2 336.838 3.232 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1nc(C)[nH+]c(C)c1C ZINC001111398466 1368294532 /nfs/dbraw/zinc/29/45/32/1368294532.db2.gz YUPJFOOBBICDBU-ROUUACIJSA-N 1 2 342.487 3.328 20 30 EGEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C/C(Cl)=C\Cl)C2 ZINC001111711391 1368428821 /nfs/dbraw/zinc/42/88/21/1368428821.db2.gz RBAGMFUVMBLBGJ-QIXNYHOWSA-N 1 2 343.298 3.470 20 30 EGEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](C/C(Cl)=C\Cl)C2 ZINC001111711391 1368428825 /nfs/dbraw/zinc/42/88/25/1368428825.db2.gz RBAGMFUVMBLBGJ-QIXNYHOWSA-N 1 2 343.298 3.470 20 30 EGEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C(C)C)o1)C2 ZINC001111764036 1368450469 /nfs/dbraw/zinc/45/04/69/1368450469.db2.gz VQPUZLLAEUEDCF-KXBFYZLASA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C(C)C)o1)C2 ZINC001111764036 1368450472 /nfs/dbraw/zinc/45/04/72/1368450472.db2.gz VQPUZLLAEUEDCF-KXBFYZLASA-N 1 2 346.475 3.020 20 30 EGEDLO CC(C)c1cc(NC2(CNC(=O)[C@H](C)C#N)CCC2)nc(C(C)C)[nH+]1 ZINC001111773236 1368454516 /nfs/dbraw/zinc/45/45/16/1368454516.db2.gz OMCRTVGJIGKSCV-CQSZACIVSA-N 1 2 343.475 3.334 20 30 EGEDLO CCCC[C@@H](C)C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC001195716766 1368476625 /nfs/dbraw/zinc/47/66/25/1368476625.db2.gz IPBNQQGGMFLSPK-LJQANCHMSA-N 1 2 326.484 3.399 20 30 EGEDLO CCCC[C@@H](C)C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001195716766 1368476629 /nfs/dbraw/zinc/47/66/29/1368476629.db2.gz IPBNQQGGMFLSPK-LJQANCHMSA-N 1 2 326.484 3.399 20 30 EGEDLO CC/C(C)=C\C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001195761113 1368484185 /nfs/dbraw/zinc/48/41/85/1368484185.db2.gz JMNDLQBCOZDKNS-PTNGSMBKSA-N 1 2 329.419 3.088 20 30 EGEDLO CC/C(C)=C\C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001195761113 1368484188 /nfs/dbraw/zinc/48/41/88/1368484188.db2.gz JMNDLQBCOZDKNS-PTNGSMBKSA-N 1 2 329.419 3.088 20 30 EGEDLO CC(C)(C)C#CC(=O)N1CCC[N@H+](Cc2ccc(F)c(F)c2)CC1 ZINC001195781449 1368489006 /nfs/dbraw/zinc/48/90/06/1368489006.db2.gz VPIPSEYFBIXACA-UHFFFAOYSA-N 1 2 334.410 3.049 20 30 EGEDLO CC(C)(C)C#CC(=O)N1CCC[N@@H+](Cc2ccc(F)c(F)c2)CC1 ZINC001195781449 1368489010 /nfs/dbraw/zinc/48/90/10/1368489010.db2.gz VPIPSEYFBIXACA-UHFFFAOYSA-N 1 2 334.410 3.049 20 30 EGEDLO C=C(C)CCC(=O)NCC1(Nc2nc(C)[nH+]c3c2CCCC3)CCC1 ZINC001111853751 1368506947 /nfs/dbraw/zinc/50/69/47/1368506947.db2.gz QSYMJMDXAMGBQK-UHFFFAOYSA-N 1 2 342.487 3.471 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001196010437 1368535454 /nfs/dbraw/zinc/53/54/54/1368535454.db2.gz NPYIDBSBPHNTEG-UHFFFAOYSA-N 1 2 329.419 3.088 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001196010437 1368535456 /nfs/dbraw/zinc/53/54/56/1368535456.db2.gz NPYIDBSBPHNTEG-UHFFFAOYSA-N 1 2 329.419 3.088 20 30 EGEDLO CC#CCCCC(=O)N1CCC[N@H+](Cc2cc(F)ccc2F)CC1 ZINC001196847256 1368697938 /nfs/dbraw/zinc/69/79/38/1368697938.db2.gz ZDZFLOVBODNPRH-UHFFFAOYSA-N 1 2 334.410 3.193 20 30 EGEDLO CC#CCCCC(=O)N1CCC[N@@H+](Cc2cc(F)ccc2F)CC1 ZINC001196847256 1368697942 /nfs/dbraw/zinc/69/79/42/1368697942.db2.gz ZDZFLOVBODNPRH-UHFFFAOYSA-N 1 2 334.410 3.193 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001196879579 1368704790 /nfs/dbraw/zinc/70/47/90/1368704790.db2.gz CJHNGVOFRATPLN-GOSISDBHSA-N 1 2 342.458 3.314 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001196879579 1368704791 /nfs/dbraw/zinc/70/47/91/1368704791.db2.gz CJHNGVOFRATPLN-GOSISDBHSA-N 1 2 342.458 3.314 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001196902079 1368710961 /nfs/dbraw/zinc/71/09/61/1368710961.db2.gz WAKIPRRAMWQKHJ-KRWDZBQOSA-N 1 2 325.456 3.195 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001196902079 1368710965 /nfs/dbraw/zinc/71/09/65/1368710965.db2.gz WAKIPRRAMWQKHJ-KRWDZBQOSA-N 1 2 325.456 3.195 20 30 EGEDLO C=CCCC1(C(=O)N2CCC(C)(Nc3cc[nH+]c(C)n3)CC2)CC1 ZINC001112359547 1368790751 /nfs/dbraw/zinc/79/07/51/1368790751.db2.gz YJLOWZIMFIBVMB-UHFFFAOYSA-N 1 2 328.460 3.324 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001112430065 1368844267 /nfs/dbraw/zinc/84/42/67/1368844267.db2.gz ZVKDKZLQZWXTRQ-GDBMZVCRSA-N 1 2 344.503 3.452 20 30 EGEDLO CC[C@@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001197586212 1368846067 /nfs/dbraw/zinc/84/60/67/1368846067.db2.gz CUCSLORLFXXIEY-HUUCEWRRSA-N 1 2 333.501 3.336 20 30 EGEDLO CC[C@@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001197586212 1368846071 /nfs/dbraw/zinc/84/60/71/1368846071.db2.gz CUCSLORLFXXIEY-HUUCEWRRSA-N 1 2 333.501 3.336 20 30 EGEDLO CC[C@@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001197588492 1368846553 /nfs/dbraw/zinc/84/65/53/1368846553.db2.gz ZKFHMZWPWIAQQB-CVEARBPZSA-N 1 2 345.462 3.414 20 30 EGEDLO CC[C@@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001197588492 1368846556 /nfs/dbraw/zinc/84/65/56/1368846556.db2.gz ZKFHMZWPWIAQQB-CVEARBPZSA-N 1 2 345.462 3.414 20 30 EGEDLO N#Cc1cccc(NC(=S)N2CCC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC001197709188 1368878100 /nfs/dbraw/zinc/87/81/00/1368878100.db2.gz STVMNSLSQYZRJR-KRWDZBQOSA-N 1 2 338.436 3.193 20 30 EGEDLO C=C(C)CCC(=O)N1CCC2(CC1)CCN(c1cc[nH+]c(C)n1)CC2 ZINC001112642622 1368969984 /nfs/dbraw/zinc/96/99/84/1368969984.db2.gz YPUFIXYQBKSNJA-UHFFFAOYSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CCO[C@@H](C)C(=O)N1CCC[N@H+](Cc2sccc2Cl)CC1 ZINC001198344345 1369013425 /nfs/dbraw/zinc/01/34/25/1369013425.db2.gz TZVCBOZUJBBJQB-ZDUSSCGKSA-N 1 2 342.892 3.027 20 30 EGEDLO C=CCO[C@@H](C)C(=O)N1CCC[N@@H+](Cc2sccc2Cl)CC1 ZINC001198344345 1369013430 /nfs/dbraw/zinc/01/34/30/1369013430.db2.gz TZVCBOZUJBBJQB-ZDUSSCGKSA-N 1 2 342.892 3.027 20 30 EGEDLO Cc1cc(NCC2CC(NC(=O)C#CC(C)(C)C)C2)nc(C2CC2)[nH+]1 ZINC001112836494 1369035986 /nfs/dbraw/zinc/03/59/86/1369035986.db2.gz QALPCHLIKYBJMS-UHFFFAOYSA-N 1 2 340.471 3.019 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)CC1(C)CC1)c1ccccc1OC ZINC001198806050 1369119063 /nfs/dbraw/zinc/11/90/63/1369119063.db2.gz QALUHOAENNTQNZ-OAHLLOKOSA-N 1 2 336.863 3.385 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001113229748 1369277631 /nfs/dbraw/zinc/27/76/31/1369277631.db2.gz QDHQLDYYLYWFKJ-IAGOWNOFSA-N 1 2 330.472 3.106 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC001113243861 1369288393 /nfs/dbraw/zinc/28/83/93/1369288393.db2.gz OZHJSLWDQOUUBO-OAHLLOKOSA-N 1 2 336.426 3.254 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H](C)[C@@H](C)Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001113286456 1369319611 /nfs/dbraw/zinc/31/96/11/1369319611.db2.gz LCXITWCIUCMWMA-KGLIPLIRSA-N 1 2 342.487 3.325 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccccc3N(C)C)CC2)CCC1 ZINC001113312749 1369339647 /nfs/dbraw/zinc/33/96/47/1369339647.db2.gz MBICWRWMSMCDAO-UHFFFAOYSA-N 1 2 341.499 3.143 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC001113390601 1369391943 /nfs/dbraw/zinc/39/19/43/1369391943.db2.gz KGEXWEFXAGWGDO-ZDUSSCGKSA-N 1 2 333.303 3.317 20 30 EGEDLO Cc1c[nH+]ccc1NC(=S)Nc1ccc(C#N)cc1Br ZINC001201114659 1369482784 /nfs/dbraw/zinc/48/27/84/1369482784.db2.gz QGBZTUGRSARFJL-UHFFFAOYSA-N 1 2 347.241 3.255 20 30 EGEDLO C=CCCCCC[NH+]1CCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC001113599656 1369509588 /nfs/dbraw/zinc/50/95/88/1369509588.db2.gz FAPVVZWWBGTGEW-UHFFFAOYSA-N 1 2 326.444 3.067 20 30 EGEDLO C=C[C@@H](CC(=O)NC[C@H](C)N(C)c1cc[nH+]c(C)n1)c1ccccc1 ZINC001113624416 1369525712 /nfs/dbraw/zinc/52/57/12/1369525712.db2.gz RTTAZGVPGQGJPK-RDJZCZTQSA-N 1 2 338.455 3.086 20 30 EGEDLO C=CCCC1(C(=O)NC[C@H](C)N(C)c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001113850916 1369632877 /nfs/dbraw/zinc/63/28/77/1369632877.db2.gz CIPKSUOXAQGUTE-HNNXBMFYSA-N 1 2 342.487 3.350 20 30 EGEDLO CCCC[C@@H](CNc1cc(C)[nH+]c(C(C)C)n1)NC(=O)[C@H](C)C#N ZINC001114219165 1369803265 /nfs/dbraw/zinc/80/32/65/1369803265.db2.gz VYSPZKDWARHSAW-HIFRSBDPSA-N 1 2 331.464 3.155 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2noc(C(C)C)n2)C12CCC2 ZINC001202979830 1369944789 /nfs/dbraw/zinc/94/47/89/1369944789.db2.gz QDJDYOLLBHBCPN-HUUCEWRRSA-N 1 2 346.475 3.066 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001114476226 1369966168 /nfs/dbraw/zinc/96/61/68/1369966168.db2.gz CHSHQGQHYBQMKN-IAGOWNOFSA-N 1 2 344.503 3.335 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1[C@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@H]21 ZINC001114606196 1369996961 /nfs/dbraw/zinc/99/69/61/1369996961.db2.gz CJDSZBKUTFHRBE-OSYLJGHBSA-N 1 2 342.487 3.063 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC001114793197 1370084166 /nfs/dbraw/zinc/08/41/66/1370084166.db2.gz ZWAILWSGCPPTRU-MGTHKWJCSA-N 1 2 347.528 3.244 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC001114793197 1370084170 /nfs/dbraw/zinc/08/41/70/1370084170.db2.gz ZWAILWSGCPPTRU-MGTHKWJCSA-N 1 2 347.528 3.244 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@](C)(CC)CCC ZINC001115028237 1370223494 /nfs/dbraw/zinc/22/34/94/1370223494.db2.gz JZNLFEPFHILOQD-ORIJERBGSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@](C)(CC)CCC ZINC001115028237 1370223496 /nfs/dbraw/zinc/22/34/96/1370223496.db2.gz JZNLFEPFHILOQD-ORIJERBGSA-N 1 2 343.309 3.158 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccn(CC)n3)C[C@H]21 ZINC001115166193 1370324056 /nfs/dbraw/zinc/32/40/56/1370324056.db2.gz WLBHODCKOBZHMR-RUYXUALKSA-N 1 2 346.519 3.200 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccn(CC)n3)C[C@H]21 ZINC001115166193 1370324063 /nfs/dbraw/zinc/32/40/63/1370324063.db2.gz WLBHODCKOBZHMR-RUYXUALKSA-N 1 2 346.519 3.200 20 30 EGEDLO C=CCCC(=O)N(C)[C@@H](CNc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001115490089 1370493107 /nfs/dbraw/zinc/49/31/07/1370493107.db2.gz NJOFVGLILFCHPB-INIZCTEOSA-N 1 2 328.460 3.278 20 30 EGEDLO C=CCC1(C(=O)N(C)[C@H](CNc2cc[nH+]c(C)n2)C2CC2)CCC1 ZINC001115575571 1370578868 /nfs/dbraw/zinc/57/88/68/1370578868.db2.gz SJMVNUMFKKQEHS-MRXNPFEDSA-N 1 2 328.460 3.180 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)C(C)C)[C@@H]2C1 ZINC001187273403 1388084151 /nfs/dbraw/zinc/08/41/51/1388084151.db2.gz XRYXIPKVIADEAN-AEGPPILISA-N 1 2 343.309 3.110 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)C(C)C)[C@@H]2C1 ZINC001187273403 1388084159 /nfs/dbraw/zinc/08/41/59/1388084159.db2.gz XRYXIPKVIADEAN-AEGPPILISA-N 1 2 343.309 3.110 20 30 EGEDLO C=CCOCC(=O)N(C)C[C@H](C)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001115651506 1370638892 /nfs/dbraw/zinc/63/88/92/1370638892.db2.gz YSGNGXDFPZKVBH-HNNXBMFYSA-N 1 2 348.491 3.185 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)C(C)C)C1 ZINC001206544206 1371089329 /nfs/dbraw/zinc/08/93/29/1371089329.db2.gz HADYDHSNQRTRSC-YRGRVCCFSA-N 1 2 331.298 3.014 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)C(C)C)C1 ZINC001206544206 1371089333 /nfs/dbraw/zinc/08/93/33/1371089333.db2.gz HADYDHSNQRTRSC-YRGRVCCFSA-N 1 2 331.298 3.014 20 30 EGEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2c(Cl)cccc2Cl)C[C@H]1C ZINC001206662253 1371125608 /nfs/dbraw/zinc/12/56/08/1371125608.db2.gz FMKZFAPUIRZXMR-FIXISWKDSA-N 1 2 340.254 3.090 20 30 EGEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2c(Cl)cccc2Cl)C[C@H]1C ZINC001206662253 1371125610 /nfs/dbraw/zinc/12/56/10/1371125610.db2.gz FMKZFAPUIRZXMR-FIXISWKDSA-N 1 2 340.254 3.090 20 30 EGEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2ccncc2F)CC1 ZINC001206790146 1371168357 /nfs/dbraw/zinc/16/83/57/1371168357.db2.gz ZYDPKUBBWBRMNL-UHFFFAOYSA-N 1 2 341.386 3.144 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2cccc(F)c2Cl)C[C@H]1C ZINC001206946199 1371240234 /nfs/dbraw/zinc/24/02/34/1371240234.db2.gz OHPOPFVSCZOXAU-CZUORRHYSA-N 1 2 336.838 3.075 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(F)c2Cl)C[C@H]1C ZINC001206946199 1371240236 /nfs/dbraw/zinc/24/02/36/1371240236.db2.gz OHPOPFVSCZOXAU-CZUORRHYSA-N 1 2 336.838 3.075 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3ccco3)on2)C[C@H]1C ZINC001207206026 1371328937 /nfs/dbraw/zinc/32/89/37/1371328937.db2.gz NSCQDRMZMCOQPF-GDBMZVCRSA-N 1 2 343.427 3.227 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(-c3ccco3)on2)C[C@H]1C ZINC001207206026 1371328942 /nfs/dbraw/zinc/32/89/42/1371328942.db2.gz NSCQDRMZMCOQPF-GDBMZVCRSA-N 1 2 343.427 3.227 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]([NH2+][C@H](C)c2nc(C3CC3)no2)C1 ZINC001208244525 1371677288 /nfs/dbraw/zinc/67/72/88/1371677288.db2.gz AXCBEMVDAKOEOB-HIFRSBDPSA-N 1 2 346.475 3.191 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001208298739 1371705464 /nfs/dbraw/zinc/70/54/64/1371705464.db2.gz ZYPFLUXOQNIJOU-UKRRQHHQSA-N 1 2 335.517 3.244 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001208298739 1371705466 /nfs/dbraw/zinc/70/54/66/1371705466.db2.gz ZYPFLUXOQNIJOU-UKRRQHHQSA-N 1 2 335.517 3.244 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2noc3c2CCCC3)C[C@H]1C ZINC001208388872 1371747641 /nfs/dbraw/zinc/74/76/41/1371747641.db2.gz RCNCHTPABZRODF-BFYDXBDKSA-N 1 2 345.487 3.092 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2noc3c2CCCC3)C[C@H]1C ZINC001208388872 1371747646 /nfs/dbraw/zinc/74/76/46/1371747646.db2.gz RCNCHTPABZRODF-BFYDXBDKSA-N 1 2 345.487 3.092 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccnc(Cl)c3)C[C@H]2C)CC1 ZINC001208500526 1371788715 /nfs/dbraw/zinc/78/87/15/1371788715.db2.gz SFRKVVXAHLSJFN-GDBMZVCRSA-N 1 2 347.890 3.418 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccnc(Cl)c3)C[C@H]2C)CC1 ZINC001208500526 1371788718 /nfs/dbraw/zinc/78/87/18/1371788718.db2.gz SFRKVVXAHLSJFN-GDBMZVCRSA-N 1 2 347.890 3.418 20 30 EGEDLO O=C1C=C2C[N@@H+](CC3CCN(c4ccccc4)CC3)CC[C@H]2S1 ZINC001208908958 1371940441 /nfs/dbraw/zinc/94/04/41/1371940441.db2.gz QWZUULUGPMXPSD-GOSISDBHSA-N 1 2 328.481 3.177 20 30 EGEDLO O=C1C=C2C[N@H+](CC3CCN(c4ccccc4)CC3)CC[C@H]2S1 ZINC001208908958 1371940445 /nfs/dbraw/zinc/94/04/45/1371940445.db2.gz QWZUULUGPMXPSD-GOSISDBHSA-N 1 2 328.481 3.177 20 30 EGEDLO N#Cc1ccc(CC[N@@H+]2CCc3nc(Br)sc3C2)cc1 ZINC001208926466 1371947399 /nfs/dbraw/zinc/94/73/99/1371947399.db2.gz TWLPRQBJECNIKC-UHFFFAOYSA-N 1 2 348.269 3.378 20 30 EGEDLO N#Cc1ccc(CC[N@H+]2CCc3nc(Br)sc3C2)cc1 ZINC001208926466 1371947403 /nfs/dbraw/zinc/94/74/03/1371947403.db2.gz TWLPRQBJECNIKC-UHFFFAOYSA-N 1 2 348.269 3.378 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccnc(Cl)c2)C[C@H]1C ZINC001208963052 1371963961 /nfs/dbraw/zinc/96/39/61/1371963961.db2.gz ANYTYPRHNQCBRH-UKRRQHHQSA-N 1 2 335.879 3.274 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccnc(Cl)c2)C[C@H]1C ZINC001208963052 1371963963 /nfs/dbraw/zinc/96/39/63/1371963963.db2.gz ANYTYPRHNQCBRH-UKRRQHHQSA-N 1 2 335.879 3.274 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@H]([NH2+]Cc2nc(C3CCCC3)no2)C1 ZINC001209366806 1372079016 /nfs/dbraw/zinc/07/90/16/1372079016.db2.gz VWTRNSRCDHOCLX-INIZCTEOSA-N 1 2 346.475 3.164 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@H]([NH2+][C@@H](C)c3nc(CC)no3)C2)CCC1 ZINC001209484859 1372118631 /nfs/dbraw/zinc/11/86/31/1372118631.db2.gz LVHNOEHLHNUBLK-GJZGRUSLSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H]1CSC ZINC001122536929 1372269137 /nfs/dbraw/zinc/26/91/37/1372269137.db2.gz ODNYYQIKWZSOLJ-CVEARBPZSA-N 1 2 349.548 3.343 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H]1CSC ZINC001122536929 1372269138 /nfs/dbraw/zinc/26/91/38/1372269138.db2.gz ODNYYQIKWZSOLJ-CVEARBPZSA-N 1 2 349.548 3.343 20 30 EGEDLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1cnc(C#N)c(C)c1 ZINC001210203052 1372293549 /nfs/dbraw/zinc/29/35/49/1372293549.db2.gz YVKRAGYXYJNVOB-UHFFFAOYSA-N 1 2 334.383 3.157 20 30 EGEDLO COC(=O)c1sc(SC)c(C#N)c1Nc1c[nH+]c(C)c(N)c1 ZINC001210286650 1372315353 /nfs/dbraw/zinc/31/53/53/1372315353.db2.gz BWHHQMLJVCOZHM-UHFFFAOYSA-N 1 2 334.426 3.158 20 30 EGEDLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc(O)c(C#N)c1 ZINC001210529256 1372372440 /nfs/dbraw/zinc/37/24/40/1372372440.db2.gz CJYHWZPKSWMKGK-UHFFFAOYSA-N 1 2 335.367 3.159 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@H]1C ZINC001123066493 1372372857 /nfs/dbraw/zinc/37/28/57/1372372857.db2.gz CTXZXTZKZSWVLI-ZBFHGGJFSA-N 1 2 328.460 3.420 20 30 EGEDLO CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001187979235 1388203882 /nfs/dbraw/zinc/20/38/82/1388203882.db2.gz XTOQHLKTNITXSC-BFHYXJOUSA-N 1 2 338.389 3.390 20 30 EGEDLO CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001187979235 1388203889 /nfs/dbraw/zinc/20/38/89/1388203889.db2.gz XTOQHLKTNITXSC-BFHYXJOUSA-N 1 2 338.389 3.390 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001123661999 1372547100 /nfs/dbraw/zinc/54/71/00/1372547100.db2.gz OCORNRBJQPAMCJ-WBVHZDCISA-N 1 2 342.487 3.492 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(CC)o3)C[C@H]21 ZINC001188011940 1388212875 /nfs/dbraw/zinc/21/28/75/1388212875.db2.gz CGHCDOUBURWCHY-FUHWJXTLSA-N 1 2 343.471 3.038 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(CC)o3)C[C@H]21 ZINC001188011940 1388212890 /nfs/dbraw/zinc/21/28/90/1388212890.db2.gz CGHCDOUBURWCHY-FUHWJXTLSA-N 1 2 343.471 3.038 20 30 EGEDLO CCOC(=O)c1ccc2[nH+]ccc(Nc3ccc(OC)cc3C#N)c2c1 ZINC001212782072 1372771075 /nfs/dbraw/zinc/77/10/75/1372771075.db2.gz ZNPLAQICTRTANI-UHFFFAOYSA-N 1 2 347.374 3.457 20 30 EGEDLO N#Cc1cccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2F)c1 ZINC001213483625 1372912402 /nfs/dbraw/zinc/91/24/02/1372912402.db2.gz WFHKPQBXRXNGEM-UHFFFAOYSA-N 1 2 341.386 3.152 20 30 EGEDLO Cc1coc(Nc2ccc(OCC[NH+]3CCOCC3)cc2F)c1C#N ZINC001213483601 1372912521 /nfs/dbraw/zinc/91/25/21/1372912521.db2.gz VDUWPFHSGLPWGH-UHFFFAOYSA-N 1 2 345.374 3.053 20 30 EGEDLO C=CCC1(C(=O)N[C@H](CNc2cc[nH+]c(C)n2)C(C)(C)C)CCC1 ZINC001126103658 1372935077 /nfs/dbraw/zinc/93/50/77/1372935077.db2.gz UFNTZKLMXNCHLL-OAHLLOKOSA-N 1 2 330.476 3.474 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)C3=CCCC3)c2C1 ZINC001128289218 1373246588 /nfs/dbraw/zinc/24/65/88/1373246588.db2.gz DRLAWQNBIXMJCE-UHFFFAOYSA-N 1 2 342.487 3.172 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)C3=CCCC3)c2C1 ZINC001128289218 1373246591 /nfs/dbraw/zinc/24/65/91/1373246591.db2.gz DRLAWQNBIXMJCE-UHFFFAOYSA-N 1 2 342.487 3.172 20 30 EGEDLO Cc1ccc(Nc2cc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c(C)n2)cc1C#N ZINC001216073944 1373258522 /nfs/dbraw/zinc/25/85/22/1373258522.db2.gz WDTIYMBBFIXUGG-ZIAGYGMSSA-N 1 2 337.427 3.322 20 30 EGEDLO CC#CCCCC(=O)NCc1cnn2c1C[N@H+](CCCCCC)CC2 ZINC001128448505 1373269341 /nfs/dbraw/zinc/26/93/41/1373269341.db2.gz PFMXTLOQLIUMDJ-UHFFFAOYSA-N 1 2 344.503 3.089 20 30 EGEDLO CC#CCCCC(=O)NCc1cnn2c1C[N@@H+](CCCCCC)CC2 ZINC001128448505 1373269344 /nfs/dbraw/zinc/26/93/44/1373269344.db2.gz PFMXTLOQLIUMDJ-UHFFFAOYSA-N 1 2 344.503 3.089 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCc1cnn2c1C[N@H+](CC/C=C/CC)CC2 ZINC001128481340 1373275058 /nfs/dbraw/zinc/27/50/58/1373275058.db2.gz KVKARDLDWKGINL-IBDYFIJFSA-N 1 2 344.503 3.274 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCc1cnn2c1C[N@@H+](CC/C=C/CC)CC2 ZINC001128481340 1373275064 /nfs/dbraw/zinc/27/50/64/1373275064.db2.gz KVKARDLDWKGINL-IBDYFIJFSA-N 1 2 344.503 3.274 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)C3(CC)CC3)c2C1 ZINC001128493798 1373276764 /nfs/dbraw/zinc/27/67/64/1373276764.db2.gz DEORXWQFSVLIDN-UHFFFAOYSA-N 1 2 346.519 3.476 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)C3(CC)CC3)c2C1 ZINC001128493798 1373276766 /nfs/dbraw/zinc/27/67/66/1373276766.db2.gz DEORXWQFSVLIDN-UHFFFAOYSA-N 1 2 346.519 3.476 20 30 EGEDLO CN(C)c1ccc[nH+]c1Nc1ccc(OC2CCOCC2)c(C#N)c1 ZINC001216665080 1373328656 /nfs/dbraw/zinc/32/86/56/1373328656.db2.gz KVGDWLNUBLGSGW-UHFFFAOYSA-N 1 2 338.411 3.321 20 30 EGEDLO C=C[C@H](C#CC#CC/C=C\CCCCCCC)OC[C@H]([NH3+])C(=O)OC ZINC001217877677 1373508716 /nfs/dbraw/zinc/50/87/16/1373508716.db2.gz BEPMSPXVNFCEKW-IWOAIWLDSA-N 1 2 345.483 3.372 20 30 EGEDLO Cc1cc(Br)cc(C#N)c1O[C@@H]1CC[NH2+]CC1(F)F ZINC001218012552 1373537104 /nfs/dbraw/zinc/53/71/04/1373537104.db2.gz RLRVNHUOJPBHSO-LLVKDONJSA-N 1 2 331.160 3.005 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CCCC(C)C)C[C@H](C)O2 ZINC001131688161 1373763351 /nfs/dbraw/zinc/76/33/51/1373763351.db2.gz HOQRDBCGDAHQSH-FUHWJXTLSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCCC(C)C)C[C@H](C)O2 ZINC001131688161 1373763354 /nfs/dbraw/zinc/76/33/54/1373763354.db2.gz HOQRDBCGDAHQSH-FUHWJXTLSA-N 1 2 342.911 3.257 20 30 EGEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)CCC1 ZINC001221798097 1373793536 /nfs/dbraw/zinc/79/35/36/1373793536.db2.gz WHJHCWGIPIWXKQ-WOJBJXKFSA-N 1 2 349.478 3.337 20 30 EGEDLO C=CCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)CCC1 ZINC001221798097 1373793541 /nfs/dbraw/zinc/79/35/41/1373793541.db2.gz WHJHCWGIPIWXKQ-WOJBJXKFSA-N 1 2 349.478 3.337 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)CCSCC)CC[C@H]1C ZINC001131847256 1373833675 /nfs/dbraw/zinc/83/36/75/1373833675.db2.gz AJTOLCASRKMMNW-OLZOCXBDSA-N 1 2 349.338 3.007 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)CCSCC)CC[C@H]1C ZINC001131847256 1373833681 /nfs/dbraw/zinc/83/36/81/1373833681.db2.gz AJTOLCASRKMMNW-OLZOCXBDSA-N 1 2 349.338 3.007 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([NH2+]Cc3ncc(CC)o3)C2)CCCC1 ZINC001188490512 1388317847 /nfs/dbraw/zinc/31/78/47/1388317847.db2.gz PXFJTMLVGMSDSR-OAHLLOKOSA-N 1 2 331.460 3.064 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2nc3ccc(F)cc3o2)C1 ZINC001131896721 1375033110 /nfs/dbraw/zinc/03/31/10/1375033110.db2.gz VESBJPWJPGRPSB-ZFWWWQNUSA-N 1 2 345.418 3.402 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2nc3ccc(F)cc3o2)C1 ZINC001131896721 1375033111 /nfs/dbraw/zinc/03/31/11/1375033111.db2.gz VESBJPWJPGRPSB-ZFWWWQNUSA-N 1 2 345.418 3.402 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)/C(C)=C\CC)CC[C@H]1C ZINC001131917414 1375045243 /nfs/dbraw/zinc/04/52/43/1375045243.db2.gz GUOCEGDGCPIURB-FLFDDASRSA-N 1 2 329.282 3.220 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)/C(C)=C\CC)CC[C@H]1C ZINC001131917414 1375045248 /nfs/dbraw/zinc/04/52/48/1375045248.db2.gz GUOCEGDGCPIURB-FLFDDASRSA-N 1 2 329.282 3.220 20 30 EGEDLO CC(C)c1ocnc1C[N@@H+]1C[C@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132034066 1375108766 /nfs/dbraw/zinc/10/87/66/1375108766.db2.gz NPJASJZSUZECFV-JKSUJKDBSA-N 1 2 345.487 3.317 20 30 EGEDLO CC(C)c1ocnc1C[N@H+]1C[C@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132034066 1375108769 /nfs/dbraw/zinc/10/87/69/1375108769.db2.gz NPJASJZSUZECFV-JKSUJKDBSA-N 1 2 345.487 3.317 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1cc(Cl)ccc1F ZINC001132045314 1375115156 /nfs/dbraw/zinc/11/51/56/1375115156.db2.gz DNUJDOBPZXPFDO-CXAGYDPISA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1cc(Cl)ccc1F ZINC001132045314 1375115158 /nfs/dbraw/zinc/11/51/58/1375115158.db2.gz DNUJDOBPZXPFDO-CXAGYDPISA-N 1 2 348.849 3.362 20 30 EGEDLO C#CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3ncc(C)s3)C2)CCC1 ZINC001132101527 1375148526 /nfs/dbraw/zinc/14/85/26/1375148526.db2.gz LIKKDNBPGIRRKJ-GDBMZVCRSA-N 1 2 345.512 3.114 20 30 EGEDLO C#CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3ncc(C)s3)C2)CCC1 ZINC001132101527 1375148527 /nfs/dbraw/zinc/14/85/27/1375148527.db2.gz LIKKDNBPGIRRKJ-GDBMZVCRSA-N 1 2 345.512 3.114 20 30 EGEDLO C#CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3csc(C)n3)C2)CCC1 ZINC001132102719 1375149634 /nfs/dbraw/zinc/14/96/34/1375149634.db2.gz ZVYJEZSSYSFJOT-ZBFHGGJFSA-N 1 2 345.512 3.114 20 30 EGEDLO C#CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3csc(C)n3)C2)CCC1 ZINC001132102719 1375149636 /nfs/dbraw/zinc/14/96/36/1375149636.db2.gz ZVYJEZSSYSFJOT-ZBFHGGJFSA-N 1 2 345.512 3.114 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2nc(C)oc2C)C1 ZINC001132221432 1375218285 /nfs/dbraw/zinc/21/82/85/1375218285.db2.gz HTKILGNBLAJDLL-XJKSGUPXSA-N 1 2 333.476 3.363 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2nc(C)oc2C)C1 ZINC001132221432 1375218287 /nfs/dbraw/zinc/21/82/87/1375218287.db2.gz HTKILGNBLAJDLL-XJKSGUPXSA-N 1 2 333.476 3.363 20 30 EGEDLO C#Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2ncc(C(C)(C)C)o2)cc1 ZINC001132226683 1375222175 /nfs/dbraw/zinc/22/21/75/1375222175.db2.gz KYECYOGLQQFZSN-CQSZACIVSA-N 1 2 339.439 3.034 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ncc(C)o2)C1 ZINC001132228239 1375223883 /nfs/dbraw/zinc/22/38/83/1375223883.db2.gz NYNYSCLMUMXAJY-DOTOQJQBSA-N 1 2 331.460 3.036 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ncc(C)o2)C1 ZINC001132228239 1375223885 /nfs/dbraw/zinc/22/38/85/1375223885.db2.gz NYNYSCLMUMXAJY-DOTOQJQBSA-N 1 2 331.460 3.036 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2csc(CC)n2)C1 ZINC001132228192 1375224513 /nfs/dbraw/zinc/22/45/13/1375224513.db2.gz NOUDBKXICSDKOR-KGLIPLIRSA-N 1 2 335.517 3.387 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2csc(CC)n2)C1 ZINC001132228192 1375224518 /nfs/dbraw/zinc/22/45/18/1375224518.db2.gz NOUDBKXICSDKOR-KGLIPLIRSA-N 1 2 335.517 3.387 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2cc([N+](=O)[O-])ccc2F)C1 ZINC001226270843 1375231033 /nfs/dbraw/zinc/23/10/33/1375231033.db2.gz VAQRNMJMCBGTKB-INIZCTEOSA-N 1 2 341.342 3.259 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2cc([N+](=O)[O-])ccc2F)C1 ZINC001226270843 1375231038 /nfs/dbraw/zinc/23/10/38/1375231038.db2.gz VAQRNMJMCBGTKB-INIZCTEOSA-N 1 2 341.342 3.259 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCc2scnc2C)CC[C@@H]1C ZINC001132392429 1375348387 /nfs/dbraw/zinc/34/83/87/1375348387.db2.gz KGZWCXLJUXTERK-JSGCOSHPSA-N 1 2 341.908 3.106 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCc2scnc2C)CC[C@@H]1C ZINC001132392429 1375348390 /nfs/dbraw/zinc/34/83/90/1375348390.db2.gz KGZWCXLJUXTERK-JSGCOSHPSA-N 1 2 341.908 3.106 20 30 EGEDLO C#CCCCCC(=O)NC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC001226951467 1375367954 /nfs/dbraw/zinc/36/79/54/1375367954.db2.gz AWLODSBYDYCDJV-UHFFFAOYSA-N 1 2 339.892 3.071 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCc2ccccn2)CC[C@@H]1C ZINC001132435305 1375379703 /nfs/dbraw/zinc/37/97/03/1375379703.db2.gz BOPYXZGYZDPZNG-RDJZCZTQSA-N 1 2 335.879 3.126 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCc2ccccn2)CC[C@@H]1C ZINC001132435305 1375379705 /nfs/dbraw/zinc/37/97/05/1375379705.db2.gz BOPYXZGYZDPZNG-RDJZCZTQSA-N 1 2 335.879 3.126 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC#Cc2ccccc2)CC[C@H]1C ZINC001132508501 1375432236 /nfs/dbraw/zinc/43/22/36/1375432236.db2.gz LAXWOUUDFWTGCE-SJLPKXTDSA-N 1 2 330.859 3.150 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC#Cc2ccccc2)CC[C@H]1C ZINC001132508501 1375432237 /nfs/dbraw/zinc/43/22/37/1375432237.db2.gz LAXWOUUDFWTGCE-SJLPKXTDSA-N 1 2 330.859 3.150 20 30 EGEDLO N#CCc1cccc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001132815051 1375579239 /nfs/dbraw/zinc/57/92/39/1375579239.db2.gz GLLWIUICEGMYDI-LJQANCHMSA-N 1 2 330.391 3.120 20 30 EGEDLO N#Cc1cccc([N+](=O)[O-])c1O[C@H]1CCN2Cc3ccccc3[NH+]=C12 ZINC001228773719 1375673043 /nfs/dbraw/zinc/67/30/43/1375673043.db2.gz LHTUJGHXZFMYLG-INIZCTEOSA-N 1 2 334.335 3.163 20 30 EGEDLO C=CCC1(C(=O)NC2CC[NH+]([C@H](C)c3nnc(C)s3)CC2)CCC1 ZINC001229029658 1375745594 /nfs/dbraw/zinc/74/55/94/1375745594.db2.gz HZDDBXUMOMZWPB-CYBMUJFWSA-N 1 2 348.516 3.235 20 30 EGEDLO C=CCC(C)(C)C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001229377065 1375821722 /nfs/dbraw/zinc/82/17/22/1375821722.db2.gz OYAPGMQUDFXLBF-UHFFFAOYSA-N 1 2 343.446 3.380 20 30 EGEDLO C=CCC(C)(C)C(=O)NC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC001229377061 1375822530 /nfs/dbraw/zinc/82/25/30/1375822530.db2.gz OSWWIUXRKDOJKK-UHFFFAOYSA-N 1 2 341.908 3.479 20 30 EGEDLO C=CCC(C)(C)C(=O)NC1CC[NH+](CC(=C)Br)CC1 ZINC001229377483 1375823230 /nfs/dbraw/zinc/82/32/30/1375823230.db2.gz VXTBAVBDXPPORO-UHFFFAOYSA-N 1 2 329.282 3.078 20 30 EGEDLO C=C(Cl)C[N@H+](CCCNC(=O)c1ccccc1)Cc1cccnc1 ZINC001230652955 1376116851 /nfs/dbraw/zinc/11/68/51/1376116851.db2.gz IMNCVQIBFDDZBL-UHFFFAOYSA-N 1 2 343.858 3.456 20 30 EGEDLO C=C(Cl)C[N@@H+](CCCNC(=O)c1ccccc1)Cc1cccnc1 ZINC001230652955 1376116854 /nfs/dbraw/zinc/11/68/54/1376116854.db2.gz IMNCVQIBFDDZBL-UHFFFAOYSA-N 1 2 343.858 3.456 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(=O)CC1CCCC1 ZINC001230655431 1376118165 /nfs/dbraw/zinc/11/81/65/1376118165.db2.gz ZUCPGZCXAJKBEQ-FQEVSTJZSA-N 1 2 342.458 3.290 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(=O)CC1CCCC1 ZINC001230655431 1376118179 /nfs/dbraw/zinc/11/81/79/1376118179.db2.gz ZUCPGZCXAJKBEQ-FQEVSTJZSA-N 1 2 342.458 3.290 20 30 EGEDLO CCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001230775773 1376149012 /nfs/dbraw/zinc/14/90/12/1376149012.db2.gz MDJSAYBVKGCIMJ-KRWDZBQOSA-N 1 2 331.435 3.310 20 30 EGEDLO CCCCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001230775773 1376149016 /nfs/dbraw/zinc/14/90/16/1376149016.db2.gz MDJSAYBVKGCIMJ-KRWDZBQOSA-N 1 2 331.435 3.310 20 30 EGEDLO CCC(CC)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001230829800 1376161675 /nfs/dbraw/zinc/16/16/75/1376161675.db2.gz SLIZQXREYVYNQC-LJQANCHMSA-N 1 2 330.447 3.146 20 30 EGEDLO CCC(CC)C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001230829800 1376161683 /nfs/dbraw/zinc/16/16/83/1376161683.db2.gz SLIZQXREYVYNQC-LJQANCHMSA-N 1 2 330.447 3.146 20 30 EGEDLO COc1cccc2[nH]cc(C[NH+]3CC(Oc4ccccc4C#N)C3)c21 ZINC001232040142 1376388006 /nfs/dbraw/zinc/38/80/06/1376388006.db2.gz SGFUNYVWTXEHPU-UHFFFAOYSA-N 1 2 333.391 3.311 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccc(SC)nc1)CCO2 ZINC001232328393 1376440780 /nfs/dbraw/zinc/44/07/80/1376440780.db2.gz DQHORZBEVAAZQS-IEBWSBKVSA-N 1 2 348.512 3.377 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1ccc(SC)nc1)CCO2 ZINC001232328393 1376440788 /nfs/dbraw/zinc/44/07/88/1376440788.db2.gz DQHORZBEVAAZQS-IEBWSBKVSA-N 1 2 348.512 3.377 20 30 EGEDLO N#Cc1ccc(O)c(CN2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001232674757 1376498948 /nfs/dbraw/zinc/49/89/48/1376498948.db2.gz DGJQZWIEUJUEQH-CTNGQTDRSA-N 1 2 347.462 3.360 20 30 EGEDLO N#Cc1ccc(O)c(CN2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001232674757 1376498950 /nfs/dbraw/zinc/49/89/50/1376498950.db2.gz DGJQZWIEUJUEQH-CTNGQTDRSA-N 1 2 347.462 3.360 20 30 EGEDLO N#Cc1ccc(O)c(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)c1 ZINC001232681298 1376501382 /nfs/dbraw/zinc/50/13/82/1376501382.db2.gz PBJCXAMLILVZFL-UHFFFAOYSA-N 1 2 335.382 3.460 20 30 EGEDLO COC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2O)cc1 ZINC001232681608 1376501842 /nfs/dbraw/zinc/50/18/42/1376501842.db2.gz TVPPFTJIHKMENS-SFHVURJKSA-N 1 2 336.391 3.388 20 30 EGEDLO COC(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2cc(C#N)ccc2O)cc1 ZINC001232681608 1376501844 /nfs/dbraw/zinc/50/18/44/1376501844.db2.gz TVPPFTJIHKMENS-SFHVURJKSA-N 1 2 336.391 3.388 20 30 EGEDLO CC[C@H](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001233927594 1376738621 /nfs/dbraw/zinc/73/86/21/1376738621.db2.gz YPCFZPXRXMKGNI-WMLDXEAASA-N 1 2 331.435 3.166 20 30 EGEDLO CC[C@H](C)CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001233927594 1376738622 /nfs/dbraw/zinc/73/86/22/1376738622.db2.gz YPCFZPXRXMKGNI-WMLDXEAASA-N 1 2 331.435 3.166 20 30 EGEDLO Cc1cccc(O[C@@H]2CC[N@H+](Cc3c(F)cc(C#N)cc3F)C2)n1 ZINC001235666874 1376883748 /nfs/dbraw/zinc/88/37/48/1376883748.db2.gz MOSGTBRQPRXWKK-CQSZACIVSA-N 1 2 329.350 3.193 20 30 EGEDLO Cc1cccc(O[C@@H]2CC[N@@H+](Cc3c(F)cc(C#N)cc3F)C2)n1 ZINC001235666874 1376883751 /nfs/dbraw/zinc/88/37/51/1376883751.db2.gz MOSGTBRQPRXWKK-CQSZACIVSA-N 1 2 329.350 3.193 20 30 EGEDLO Cc1ccc(Cl)cc1N1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC001237458680 1376979516 /nfs/dbraw/zinc/97/95/16/1376979516.db2.gz AQEIMKGNBWKTDY-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(OC)ccc2Cl)C1 ZINC001137266945 1377507167 /nfs/dbraw/zinc/50/71/67/1377507167.db2.gz GNYRNQNXYCYAQX-AWEZNQCLSA-N 1 2 338.835 3.225 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(OC)ccc2Cl)C1 ZINC001137266945 1377507168 /nfs/dbraw/zinc/50/71/68/1377507168.db2.gz GNYRNQNXYCYAQX-AWEZNQCLSA-N 1 2 338.835 3.225 20 30 EGEDLO Cc1ccc(F)c(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)c1F ZINC001138119050 1377679527 /nfs/dbraw/zinc/67/95/27/1377679527.db2.gz WDDDJXJTXAWAOO-UHFFFAOYSA-N 1 2 327.378 3.467 20 30 EGEDLO CCC(=O)N1CC[NH+](Cc2ccc(C#Cc3ccccc3)cc2)CC1 ZINC001138333994 1377703716 /nfs/dbraw/zinc/70/37/16/1377703716.db2.gz ZQMVCVREPFITQU-UHFFFAOYSA-N 1 2 332.447 3.141 20 30 EGEDLO CC(C)(C)C(=O)Nc1ncccc1C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001138539030 1377738750 /nfs/dbraw/zinc/73/87/50/1377738750.db2.gz FHUMCCODZVRPQB-UHFFFAOYSA-N 1 2 348.450 3.496 20 30 EGEDLO CC(C)(C)C(=O)Nc1ncccc1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001138539030 1377738753 /nfs/dbraw/zinc/73/87/53/1377738753.db2.gz FHUMCCODZVRPQB-UHFFFAOYSA-N 1 2 348.450 3.496 20 30 EGEDLO C#CCOc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC001138557590 1377742129 /nfs/dbraw/zinc/74/21/29/1377742129.db2.gz MRGRPIJAIAFSGM-GOSISDBHSA-N 1 2 329.440 3.395 20 30 EGEDLO C#CCOc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC001138557590 1377742132 /nfs/dbraw/zinc/74/21/32/1377742132.db2.gz MRGRPIJAIAFSGM-GOSISDBHSA-N 1 2 329.440 3.395 20 30 EGEDLO C=CCc1cccc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)OC)c1O ZINC001138628347 1377756834 /nfs/dbraw/zinc/75/68/34/1377756834.db2.gz SMQGKJHOTYAOET-IBGZPJMESA-N 1 2 337.419 3.221 20 30 EGEDLO C=CCc1cccc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)OC)c1O ZINC001138628347 1377756835 /nfs/dbraw/zinc/75/68/35/1377756835.db2.gz SMQGKJHOTYAOET-IBGZPJMESA-N 1 2 337.419 3.221 20 30 EGEDLO C=C(C)COc1ccccc1C[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC001138664962 1377765189 /nfs/dbraw/zinc/76/51/89/1377765189.db2.gz CHJLNVAVHNFDLN-UHFFFAOYSA-N 1 2 328.456 3.086 20 30 EGEDLO N#Cc1ccc2c(c1)CC[N@@H+](Cc1cc3c(c(Cl)c1)OCO3)C2 ZINC001139072824 1377824475 /nfs/dbraw/zinc/82/44/75/1377824475.db2.gz RMYMVZZMGKKARM-UHFFFAOYSA-N 1 2 326.783 3.499 20 30 EGEDLO N#Cc1ccc2c(c1)CC[N@H+](Cc1cc3c(c(Cl)c1)OCO3)C2 ZINC001139072824 1377824476 /nfs/dbraw/zinc/82/44/76/1377824476.db2.gz RMYMVZZMGKKARM-UHFFFAOYSA-N 1 2 326.783 3.499 20 30 EGEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cc(C)cnc3Cl)C2)CC1 ZINC001139589793 1377912715 /nfs/dbraw/zinc/91/27/15/1377912715.db2.gz RAHQSTZWFGTXFE-UHFFFAOYSA-N 1 2 349.862 3.264 20 30 EGEDLO COc1ccc(N2CC[NH+](Cc3cc(C#N)ccc3F)CC2)c(C)c1 ZINC001139649740 1377926235 /nfs/dbraw/zinc/92/62/35/1377926235.db2.gz CVPLCFFUXCPSGA-UHFFFAOYSA-N 1 2 339.414 3.337 20 30 EGEDLO CCOc1ccc(N2CC[NH+](Cc3cc(C#N)ccc3F)CC2)cc1 ZINC001139649786 1377926590 /nfs/dbraw/zinc/92/65/90/1377926590.db2.gz GJUKBKDIVWBMMU-UHFFFAOYSA-N 1 2 339.414 3.418 20 30 EGEDLO Cc1cccc(N2CCN(Cc3cccc(Cl)c3C#N)CC2)[nH+]1 ZINC001139690332 1377935092 /nfs/dbraw/zinc/93/50/92/1377935092.db2.gz UZAUUBKKOZWWBF-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO CC(C)CC(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2Cl)CC1 ZINC001140604110 1378096338 /nfs/dbraw/zinc/09/63/38/1378096338.db2.gz QEEREMRYIFGSKF-UHFFFAOYSA-N 1 2 333.863 3.292 20 30 EGEDLO CC(C)CC(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2Cl)CC1 ZINC001140604110 1378096339 /nfs/dbraw/zinc/09/63/39/1378096339.db2.gz QEEREMRYIFGSKF-UHFFFAOYSA-N 1 2 333.863 3.292 20 30 EGEDLO N#CCC[N@@H+](Cc1ccc(N2CCOCC2)cc1F)C1CCCC1 ZINC001140661549 1378108585 /nfs/dbraw/zinc/10/85/85/1378108585.db2.gz IZDQEPDJMJXMRE-UHFFFAOYSA-N 1 2 331.435 3.321 20 30 EGEDLO N#CCC[N@H+](Cc1ccc(N2CCOCC2)cc1F)C1CCCC1 ZINC001140661549 1378108589 /nfs/dbraw/zinc/10/85/89/1378108589.db2.gz IZDQEPDJMJXMRE-UHFFFAOYSA-N 1 2 331.435 3.321 20 30 EGEDLO COc1ccc(C[N@H+](C)Cc2cc(F)c(C#N)c(F)c2)c(OC)c1 ZINC001140755048 1378130338 /nfs/dbraw/zinc/13/03/38/1378130338.db2.gz RKOSXVSJMUCIFS-UHFFFAOYSA-N 1 2 332.350 3.486 20 30 EGEDLO COc1ccc(C[N@@H+](C)Cc2cc(F)c(C#N)c(F)c2)c(OC)c1 ZINC001140755048 1378130342 /nfs/dbraw/zinc/13/03/42/1378130342.db2.gz RKOSXVSJMUCIFS-UHFFFAOYSA-N 1 2 332.350 3.486 20 30 EGEDLO Cc1ccc(N2CC[NH+](Cc3sc(N)c(C#N)c3Cl)CC2)cc1 ZINC001141109048 1378240937 /nfs/dbraw/zinc/24/09/37/1378240937.db2.gz LZBUQIDWLWKWQK-UHFFFAOYSA-N 1 2 346.887 3.486 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(F)cc1C#N ZINC001141163644 1378255830 /nfs/dbraw/zinc/25/58/30/1378255830.db2.gz NGMGFJMWBRFJEN-XIRDDKMYSA-N 1 2 345.418 3.185 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(F)cc1C#N ZINC001141163644 1378255838 /nfs/dbraw/zinc/25/58/38/1378255838.db2.gz NGMGFJMWBRFJEN-XIRDDKMYSA-N 1 2 345.418 3.185 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1C#N)C2 ZINC001141164886 1378256276 /nfs/dbraw/zinc/25/62/76/1378256276.db2.gz MHXLBRULWKGKEV-MOPGFXCFSA-N 1 2 330.403 3.023 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(F)cc1C#N)C2 ZINC001141164886 1378256282 /nfs/dbraw/zinc/25/62/82/1378256282.db2.gz MHXLBRULWKGKEV-MOPGFXCFSA-N 1 2 330.403 3.023 20 30 EGEDLO COc1cccc(O[C@@H]2CCC[N@H+](Cc3ccc(F)cc3C#N)C2)n1 ZINC001141167541 1378257356 /nfs/dbraw/zinc/25/73/56/1378257356.db2.gz OTAKQEBOEBYDQB-QGZVFWFLSA-N 1 2 341.386 3.144 20 30 EGEDLO COc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3C#N)C2)n1 ZINC001141167541 1378257361 /nfs/dbraw/zinc/25/73/61/1378257361.db2.gz OTAKQEBOEBYDQB-QGZVFWFLSA-N 1 2 341.386 3.144 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@]2(C1)CCCCO2 ZINC001141810480 1378381379 /nfs/dbraw/zinc/38/13/79/1378381379.db2.gz ZJECJCAUVRITMJ-MRXNPFEDSA-N 1 2 335.245 3.466 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001141810480 1378381380 /nfs/dbraw/zinc/38/13/80/1378381380.db2.gz ZJECJCAUVRITMJ-MRXNPFEDSA-N 1 2 335.245 3.466 20 30 EGEDLO N#Cc1ccc(Br)cc1C[N@H+](CCO)Cc1ccccc1 ZINC001141893818 1378390712 /nfs/dbraw/zinc/39/07/12/1378390712.db2.gz BERVFHJNNDCAOI-UHFFFAOYSA-N 1 2 345.240 3.315 20 30 EGEDLO N#Cc1ccc(Br)cc1C[N@@H+](CCO)Cc1ccccc1 ZINC001141893818 1378390715 /nfs/dbraw/zinc/39/07/15/1378390715.db2.gz BERVFHJNNDCAOI-UHFFFAOYSA-N 1 2 345.240 3.315 20 30 EGEDLO N#Cc1ccc(Br)cc1C[N@@H+]1C[C@@H]2CCCC(=O)[C@H]2C1 ZINC001141907555 1378393010 /nfs/dbraw/zinc/39/30/10/1378393010.db2.gz GGIWNGQJZVHEIL-WFASDCNBSA-N 1 2 333.229 3.122 20 30 EGEDLO N#Cc1ccc(Br)cc1C[N@H+]1C[C@@H]2CCCC(=O)[C@H]2C1 ZINC001141907555 1378393013 /nfs/dbraw/zinc/39/30/13/1378393013.db2.gz GGIWNGQJZVHEIL-WFASDCNBSA-N 1 2 333.229 3.122 20 30 EGEDLO CSc1nc(C[NH+]2CCN(c3ccc(C)cc3)CC2)ccc1C#N ZINC001141929627 1378395851 /nfs/dbraw/zinc/39/58/51/1378395851.db2.gz YSLDSKFWXQWPRA-UHFFFAOYSA-N 1 2 338.480 3.306 20 30 EGEDLO Cc1ccc(O[C@@H]2CC[N@H+](Cc3c(F)ccc(C#N)c3F)C2)nc1 ZINC001143175561 1378554867 /nfs/dbraw/zinc/55/48/67/1378554867.db2.gz AFBUWLCYLXMPBC-CQSZACIVSA-N 1 2 329.350 3.193 20 30 EGEDLO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3c(F)ccc(C#N)c3F)C2)nc1 ZINC001143175561 1378554869 /nfs/dbraw/zinc/55/48/69/1378554869.db2.gz AFBUWLCYLXMPBC-CQSZACIVSA-N 1 2 329.350 3.193 20 30 EGEDLO CCCCCCCC[C@@H](C)C(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001151848069 1379798576 /nfs/dbraw/zinc/79/85/76/1379798576.db2.gz DPSPRQCCWGALJM-OAHLLOKOSA-N 1 2 338.496 3.225 20 30 EGEDLO CCC[C@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(F)ccc1C#N ZINC001152459822 1379937102 /nfs/dbraw/zinc/93/71/02/1379937102.db2.gz JMRGKXMBTQNUQW-LSDHHAIUSA-N 1 2 333.451 3.460 20 30 EGEDLO CCC[C@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(F)ccc1C#N ZINC001152459822 1379937104 /nfs/dbraw/zinc/93/71/04/1379937104.db2.gz JMRGKXMBTQNUQW-LSDHHAIUSA-N 1 2 333.451 3.460 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C2CC2)o1 ZINC001153594991 1380100621 /nfs/dbraw/zinc/10/06/21/1380100621.db2.gz UKDKSNMFWHTFAV-CQSZACIVSA-N 1 2 333.476 3.481 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C2CC2)o1 ZINC001153594991 1380100623 /nfs/dbraw/zinc/10/06/23/1380100623.db2.gz UKDKSNMFWHTFAV-CQSZACIVSA-N 1 2 333.476 3.481 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1nc2c(o1)CCCC2 ZINC001153608592 1380102659 /nfs/dbraw/zinc/10/26/59/1380102659.db2.gz JKAHZJUZNIKVGP-OAHLLOKOSA-N 1 2 347.503 3.482 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc2c(o1)CCCC2 ZINC001153608592 1380102661 /nfs/dbraw/zinc/10/26/61/1380102661.db2.gz JKAHZJUZNIKVGP-OAHLLOKOSA-N 1 2 347.503 3.482 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@H](F)C(C)C ZINC001154705129 1380335295 /nfs/dbraw/zinc/33/52/95/1380335295.db2.gz FCPUWESDXXUZTH-CXAGYDPISA-N 1 2 337.414 3.018 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@H](F)C(C)C ZINC001154705129 1380335298 /nfs/dbraw/zinc/33/52/98/1380335298.db2.gz FCPUWESDXXUZTH-CXAGYDPISA-N 1 2 337.414 3.018 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H](C)[N@H+](CC)CC(=C)Br ZINC001154751530 1380345936 /nfs/dbraw/zinc/34/59/36/1380345936.db2.gz ZYKWYMJKKJWNGZ-ZIAGYGMSSA-N 1 2 331.298 3.324 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)Br ZINC001154751530 1380345938 /nfs/dbraw/zinc/34/59/38/1380345938.db2.gz ZYKWYMJKKJWNGZ-ZIAGYGMSSA-N 1 2 331.298 3.324 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@H+](CC)CC(=C)Br ZINC001154751529 1380345859 /nfs/dbraw/zinc/34/58/59/1380345859.db2.gz ZYKWYMJKKJWNGZ-KGLIPLIRSA-N 1 2 331.298 3.324 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)Br ZINC001154751529 1380345862 /nfs/dbraw/zinc/34/58/62/1380345862.db2.gz ZYKWYMJKKJWNGZ-KGLIPLIRSA-N 1 2 331.298 3.324 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H](C)[N@H+](CC)Cc2ncc(CC)o2)CC1 ZINC001155028207 1380394396 /nfs/dbraw/zinc/39/43/96/1380394396.db2.gz RICXYWQKWBQABW-OAHLLOKOSA-N 1 2 333.476 3.310 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2ncc(CC)o2)CC1 ZINC001155028207 1380394397 /nfs/dbraw/zinc/39/43/97/1380394397.db2.gz RICXYWQKWBQABW-OAHLLOKOSA-N 1 2 333.476 3.310 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001155120706 1380413052 /nfs/dbraw/zinc/41/30/52/1380413052.db2.gz UKWIQSVAGANKHZ-YCPHGPKFSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001155120706 1380413053 /nfs/dbraw/zinc/41/30/53/1380413053.db2.gz UKWIQSVAGANKHZ-YCPHGPKFSA-N 1 2 343.309 3.302 20 30 EGEDLO CN1C(=O)CCC12CCC(Nc1[nH+]ccc3ccc(C#N)cc31)CC2 ZINC001155790851 1380492423 /nfs/dbraw/zinc/49/24/23/1380492423.db2.gz YZIJTTQNVOZIBV-UHFFFAOYSA-N 1 2 334.423 3.452 20 30 EGEDLO C#CCCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cscn1 ZINC001157856823 1381052685 /nfs/dbraw/zinc/05/26/85/1381052685.db2.gz ONVAIGJTDKHKHH-QGZVFWFLSA-N 1 2 333.501 3.150 20 30 EGEDLO C#CCCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cscn1 ZINC001157856823 1381052689 /nfs/dbraw/zinc/05/26/89/1381052689.db2.gz ONVAIGJTDKHKHH-QGZVFWFLSA-N 1 2 333.501 3.150 20 30 EGEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nc(C)cs1 ZINC001157884560 1381059464 /nfs/dbraw/zinc/05/94/64/1381059464.db2.gz ASLPNHLGEBVCAY-MRXNPFEDSA-N 1 2 333.501 3.068 20 30 EGEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nc(C)cs1 ZINC001157884560 1381059466 /nfs/dbraw/zinc/05/94/66/1381059466.db2.gz ASLPNHLGEBVCAY-MRXNPFEDSA-N 1 2 333.501 3.068 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cc(C)on1 ZINC001157999147 1381097550 /nfs/dbraw/zinc/09/75/50/1381097550.db2.gz AUIXJNHMHINIPB-QGZVFWFLSA-N 1 2 333.476 3.398 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cc(C)on1 ZINC001157999147 1381097559 /nfs/dbraw/zinc/09/75/59/1381097559.db2.gz AUIXJNHMHINIPB-QGZVFWFLSA-N 1 2 333.476 3.398 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nocc1C ZINC001158005237 1381100430 /nfs/dbraw/zinc/10/04/30/1381100430.db2.gz KGAJAANOTRKEIT-MRXNPFEDSA-N 1 2 333.476 3.398 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nocc1C ZINC001158005237 1381100435 /nfs/dbraw/zinc/10/04/35/1381100435.db2.gz KGAJAANOTRKEIT-MRXNPFEDSA-N 1 2 333.476 3.398 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](F)C(C)C ZINC001158342129 1381208330 /nfs/dbraw/zinc/20/83/30/1381208330.db2.gz XOHNALCEGXTRLX-ZIAGYGMSSA-N 1 2 349.288 3.202 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](F)C(C)C ZINC001158342129 1381208345 /nfs/dbraw/zinc/20/83/45/1381208345.db2.gz XOHNALCEGXTRLX-ZIAGYGMSSA-N 1 2 349.288 3.202 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(C)o1 ZINC001158370671 1381220933 /nfs/dbraw/zinc/22/09/33/1381220933.db2.gz YCXJNROYUPSYBA-IAGOWNOFSA-N 1 2 333.476 3.398 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(C)o1 ZINC001158370671 1381220937 /nfs/dbraw/zinc/22/09/37/1381220937.db2.gz YCXJNROYUPSYBA-IAGOWNOFSA-N 1 2 333.476 3.398 20 30 EGEDLO CCOC(=O)c1c(C)cc(NCc2ccc(C#N)c(F)c2)[nH+]c1C ZINC001159084981 1381570583 /nfs/dbraw/zinc/57/05/83/1381570583.db2.gz XHGNNVHJKSZAMQ-UHFFFAOYSA-N 1 2 327.359 3.498 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)CC(C)C)CC1 ZINC001159111792 1381600474 /nfs/dbraw/zinc/60/04/74/1381600474.db2.gz VZNNKSDUMKLPHP-UHFFFAOYSA-N 1 2 329.282 3.080 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)CC(C)C)CC1 ZINC001159111792 1381600488 /nfs/dbraw/zinc/60/04/88/1381600488.db2.gz VZNNKSDUMKLPHP-UHFFFAOYSA-N 1 2 329.282 3.080 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)C(F)=C(C)C)CC1 ZINC001159774200 1381895936 /nfs/dbraw/zinc/89/59/36/1381895936.db2.gz MTMQQJGMPKFGEW-UHFFFAOYSA-N 1 2 345.256 3.297 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)C(F)=C(C)C)CC1 ZINC001159774200 1381895943 /nfs/dbraw/zinc/89/59/43/1381895943.db2.gz MTMQQJGMPKFGEW-UHFFFAOYSA-N 1 2 345.256 3.297 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@H+]([C@@H](C)c2nc(C)no2)CC1 ZINC001160252931 1382050511 /nfs/dbraw/zinc/05/05/11/1382050511.db2.gz BBSKWLKLFDHHBE-AWEZNQCLSA-N 1 2 346.475 3.180 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nc(C)no2)CC1 ZINC001160252931 1382050516 /nfs/dbraw/zinc/05/05/16/1382050516.db2.gz BBSKWLKLFDHHBE-AWEZNQCLSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2cscn2)CC1 ZINC001160940299 1382243748 /nfs/dbraw/zinc/24/37/48/1382243748.db2.gz BHZDDHRAWONZJW-GJZGRUSLSA-N 1 2 333.501 3.240 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2cscn2)CC1 ZINC001160940299 1382243751 /nfs/dbraw/zinc/24/37/51/1382243751.db2.gz BHZDDHRAWONZJW-GJZGRUSLSA-N 1 2 333.501 3.240 20 30 EGEDLO Cc1cc(C#N)c(NC2CC[NH+](CC(=O)c3ccccc3)CC2)nc1C ZINC001161143222 1382316934 /nfs/dbraw/zinc/31/69/34/1382316934.db2.gz KRBKTJDDLUHILT-UHFFFAOYSA-N 1 2 348.450 3.329 20 30 EGEDLO CC(C)n1c[nH+]cc1CNC(F)(F)c1nc(Cl)ccc1C#N ZINC001161564740 1382440125 /nfs/dbraw/zinc/44/01/25/1382440125.db2.gz DGVIWPWSXUPTME-UHFFFAOYSA-N 1 2 325.750 3.223 20 30 EGEDLO C=CCCOCC(=O)NCCC1=CC[N@H+](C/C(Cl)=C\Cl)CC1 ZINC001161978483 1382585217 /nfs/dbraw/zinc/58/52/17/1382585217.db2.gz VISSMJPLGNSKTH-RVDMUPIBSA-N 1 2 347.286 3.037 20 30 EGEDLO C=CCCOCC(=O)NCCC1=CC[N@@H+](C/C(Cl)=C\Cl)CC1 ZINC001161978483 1382585220 /nfs/dbraw/zinc/58/52/20/1382585220.db2.gz VISSMJPLGNSKTH-RVDMUPIBSA-N 1 2 347.286 3.037 20 30 EGEDLO N#Cc1ccc2cc[nH+]c(N3CCO[C@H](COc4ccccc4)C3)c2c1 ZINC001167156047 1383553371 /nfs/dbraw/zinc/55/33/71/1383553371.db2.gz WEELEAHDFUUTAT-IBGZPJMESA-N 1 2 345.402 3.391 20 30 EGEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CCc2c(F)cccc2F)CC1 ZINC001307545168 1384000162 /nfs/dbraw/zinc/00/01/62/1384000162.db2.gz FLRJXEISKBTHNW-HXUWFJFHSA-N 1 2 341.405 3.390 20 30 EGEDLO CCCCCCC[C@@H](CC)[N@@H+]1CCn2nc(C(=O)OCC)nc2C1 ZINC001172359479 1384777160 /nfs/dbraw/zinc/77/71/60/1384777160.db2.gz WSJPTUFOUMPMRZ-OAHLLOKOSA-N 1 2 336.480 3.410 20 30 EGEDLO CCCCCCC[C@@H](CC)[N@H+]1CCn2nc(C(=O)OCC)nc2C1 ZINC001172359479 1384777165 /nfs/dbraw/zinc/77/71/65/1384777165.db2.gz WSJPTUFOUMPMRZ-OAHLLOKOSA-N 1 2 336.480 3.410 20 30 EGEDLO C=C[C@H]1C[C@@]1([NH2+]C1CCC(Oc2ccccc2)CC1)C(=O)OCC ZINC001173200319 1384935192 /nfs/dbraw/zinc/93/51/92/1384935192.db2.gz MBCSIFDZSFVDOQ-NOGSDAMLSA-N 1 2 329.440 3.474 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001317984422 1385599641 /nfs/dbraw/zinc/59/96/41/1385599641.db2.gz BIPLXWOKOHGFQJ-HNNXBMFYSA-N 1 2 331.460 3.235 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC001317984422 1385599645 /nfs/dbraw/zinc/59/96/45/1385599645.db2.gz BIPLXWOKOHGFQJ-HNNXBMFYSA-N 1 2 331.460 3.235 20 30 EGEDLO CCC(CC)CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001317988203 1385601881 /nfs/dbraw/zinc/60/18/81/1385601881.db2.gz UKTOAXBDWRAXAZ-IBGZPJMESA-N 1 2 327.472 3.465 20 30 EGEDLO CCC(CC)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001317988203 1385601886 /nfs/dbraw/zinc/60/18/86/1385601886.db2.gz UKTOAXBDWRAXAZ-IBGZPJMESA-N 1 2 327.472 3.465 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[N@@H+](Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC001318319219 1385650668 /nfs/dbraw/zinc/65/06/68/1385650668.db2.gz HDNONTPFXSDVAQ-QGZVFWFLSA-N 1 2 339.439 3.307 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC001318319219 1385650675 /nfs/dbraw/zinc/65/06/75/1385650675.db2.gz HDNONTPFXSDVAQ-QGZVFWFLSA-N 1 2 339.439 3.307 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@@H+](Cc3cc(C)cc(C)c3)[C@@H]2C1 ZINC001176948897 1385752557 /nfs/dbraw/zinc/75/25/57/1385752557.db2.gz GNHGCLGIGHZXME-WOJBJXKFSA-N 1 2 342.483 3.071 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@H+](Cc3cc(C)cc(C)c3)[C@@H]2C1 ZINC001176948897 1385752561 /nfs/dbraw/zinc/75/25/61/1385752561.db2.gz GNHGCLGIGHZXME-WOJBJXKFSA-N 1 2 342.483 3.071 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]2OCC[N@@H+](Cc3cccc(C)c3)[C@H]2C1 ZINC001177073773 1385796599 /nfs/dbraw/zinc/79/65/99/1385796599.db2.gz SJGGTOAPXGFPLF-PMACEKPBSA-N 1 2 342.483 3.153 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]2OCC[N@H+](Cc3cccc(C)c3)[C@H]2C1 ZINC001177073773 1385796603 /nfs/dbraw/zinc/79/66/03/1385796603.db2.gz SJGGTOAPXGFPLF-PMACEKPBSA-N 1 2 342.483 3.153 20 30 EGEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCCCCCCCC)C[C@@H]21 ZINC001177138494 1385829181 /nfs/dbraw/zinc/82/91/81/1385829181.db2.gz LWFBMPQWMHZSKX-PMACEKPBSA-N 1 2 348.531 3.452 20 30 EGEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCCCCCCCC)C[C@@H]21 ZINC001177138494 1385829183 /nfs/dbraw/zinc/82/91/83/1385829183.db2.gz LWFBMPQWMHZSKX-PMACEKPBSA-N 1 2 348.531 3.452 20 30 EGEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCCC3CCCCC3)C[C@@H]21 ZINC001177145238 1385832989 /nfs/dbraw/zinc/83/29/89/1385832989.db2.gz YKQHAYGURSMUFI-PMACEKPBSA-N 1 2 346.515 3.062 20 30 EGEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCCC3CCCCC3)C[C@@H]21 ZINC001177145238 1385832996 /nfs/dbraw/zinc/83/29/96/1385832996.db2.gz YKQHAYGURSMUFI-PMACEKPBSA-N 1 2 346.515 3.062 20 30 EGEDLO N#Cc1ccc(-c2csc(NC(=O)CCc3[nH]cc[nH+]3)n2)s1 ZINC001177993981 1386104630 /nfs/dbraw/zinc/10/46/30/1386104630.db2.gz PVHPZGJYFRRQRY-UHFFFAOYSA-N 1 2 329.410 3.038 20 30 EGEDLO C#CC[N@@H+](Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)CC1CC1 ZINC001319666940 1386244581 /nfs/dbraw/zinc/24/45/81/1386244581.db2.gz QXTVYHZMIBNZLS-UHFFFAOYSA-N 1 2 335.329 3.199 20 30 EGEDLO C#CC[N@H+](Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)CC1CC1 ZINC001319666940 1386244585 /nfs/dbraw/zinc/24/45/85/1386244585.db2.gz QXTVYHZMIBNZLS-UHFFFAOYSA-N 1 2 335.329 3.199 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2nnc(C(C)(C)C)o2)[C@@H]1C ZINC001179384811 1386470116 /nfs/dbraw/zinc/47/01/16/1386470116.db2.gz XDPKPWXKXJVVND-ILXRZTDVSA-N 1 2 348.491 3.048 20 30 EGEDLO CCC(CC)CC(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001320068236 1386488472 /nfs/dbraw/zinc/48/84/72/1386488472.db2.gz XDDUSUAPUPRWKT-UHFFFAOYSA-N 1 2 333.451 3.414 20 30 EGEDLO CCC(CC)CC(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001320068236 1386488476 /nfs/dbraw/zinc/48/84/76/1386488476.db2.gz XDDUSUAPUPRWKT-UHFFFAOYSA-N 1 2 333.451 3.414 20 30 EGEDLO C=CC1(CC(=O)N2CC[C@H]([NH2+]Cc3cnsn3)[C@@H]2C)CCCCC1 ZINC001179714774 1386562623 /nfs/dbraw/zinc/56/26/23/1386562623.db2.gz LLPPIIYOVCOVAB-HOCLYGCPSA-N 1 2 348.516 3.144 20 30 EGEDLO C[C@H]1CCc2c(C#N)c(NC(=O)c3cc(C[NH+](C)C)on3)sc2C1 ZINC001336230043 1389041858 /nfs/dbraw/zinc/04/18/58/1389041858.db2.gz ISKGRRRSYVURKN-JTQLQIEISA-N 1 2 344.440 3.046 20 30 EGEDLO N#CCc1ccccc1C(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001336602975 1389125052 /nfs/dbraw/zinc/12/50/52/1389125052.db2.gz WKEGMJZCXHVGAD-GOSISDBHSA-N 1 2 339.826 3.193 20 30 EGEDLO CS(=O)(=O)c1ccc(N[NH+]=Cc2ccc(N3CCCC3)cc2)cc1 ZINC001337377620 1389323576 /nfs/dbraw/zinc/32/35/76/1389323576.db2.gz VMFGFHOZOPLQCE-UHFFFAOYSA-N 1 2 343.452 3.136 20 30 EGEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(CC)C1CCCC1 ZINC001338694037 1389734769 /nfs/dbraw/zinc/73/47/69/1389734769.db2.gz UGKWAEXSBZWZSW-QGZVFWFLSA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(CC)C1CCCC1 ZINC001338694037 1389734774 /nfs/dbraw/zinc/73/47/74/1389734774.db2.gz UGKWAEXSBZWZSW-QGZVFWFLSA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N(C)[C@@H](C)CCSC ZINC001338927529 1389826075 /nfs/dbraw/zinc/82/60/75/1389826075.db2.gz TWWNCWRIJBNTSW-HNNXBMFYSA-N 1 2 337.537 3.028 20 30 EGEDLO C=CCC[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001339280688 1389972422 /nfs/dbraw/zinc/97/24/22/1389972422.db2.gz KJVXFUPJMFRISD-OAHLLOKOSA-N 1 2 340.383 3.351 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCCC(F)(F)CC1 ZINC001339541789 1390060777 /nfs/dbraw/zinc/06/07/77/1390060777.db2.gz IVTVUHWJLMUGMA-CQSZACIVSA-N 1 2 339.434 3.247 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCCC(F)(F)CC1 ZINC001339541789 1390060781 /nfs/dbraw/zinc/06/07/81/1390060781.db2.gz IVTVUHWJLMUGMA-CQSZACIVSA-N 1 2 339.434 3.247 20 30 EGEDLO Cc1cc(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)sc1C ZINC001480945176 1393039340 /nfs/dbraw/zinc/03/93/40/1393039340.db2.gz XTHZHHXNIYGDQK-UHFFFAOYSA-N 1 2 327.453 3.098 20 30 EGEDLO Cc1cc(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)sc1C ZINC001480945176 1393039344 /nfs/dbraw/zinc/03/93/44/1393039344.db2.gz XTHZHHXNIYGDQK-UHFFFAOYSA-N 1 2 327.453 3.098 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc(Cl)ccc1OC)C1CC1 ZINC001481198263 1393148614 /nfs/dbraw/zinc/14/86/14/1393148614.db2.gz YJFFPLCUSALCQT-UHFFFAOYSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc(Cl)ccc1OC)C1CC1 ZINC001481198263 1393148615 /nfs/dbraw/zinc/14/86/15/1393148615.db2.gz YJFFPLCUSALCQT-UHFFFAOYSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCc2ccc(F)cc2F)C1 ZINC001490454537 1394233002 /nfs/dbraw/zinc/23/30/02/1394233002.db2.gz MUYDRAAPNRFZGU-HNNXBMFYSA-N 1 2 342.817 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCc2ccc(F)cc2F)C1 ZINC001490454537 1394233006 /nfs/dbraw/zinc/23/30/06/1394233006.db2.gz MUYDRAAPNRFZGU-HNNXBMFYSA-N 1 2 342.817 3.231 20 30 EGEDLO CCC(CC)C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001481522912 1394373530 /nfs/dbraw/zinc/37/35/30/1394373530.db2.gz GQESXANIWXYMEB-LJQANCHMSA-N 1 2 330.447 3.194 20 30 EGEDLO CCC(CC)C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001481522912 1394373535 /nfs/dbraw/zinc/37/35/35/1394373535.db2.gz GQESXANIWXYMEB-LJQANCHMSA-N 1 2 330.447 3.194 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCOc2cc(C)cc(C)c2)C1 ZINC001481702223 1394460753 /nfs/dbraw/zinc/46/07/53/1394460753.db2.gz JDPJGWTYVXXQRP-MRXNPFEDSA-N 1 2 336.863 3.015 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCOc2cc(C)cc(C)c2)C1 ZINC001481702223 1394460754 /nfs/dbraw/zinc/46/07/54/1394460754.db2.gz JDPJGWTYVXXQRP-MRXNPFEDSA-N 1 2 336.863 3.015 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc(C)n(C(CC)CC)n1 ZINC001698990439 1406779205 /nfs/dbraw/zinc/77/92/05/1406779205.db2.gz CXJUBTSWAVNHCK-UHFFFAOYSA-N 1 2 340.899 3.309 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc(C)n(C(CC)CC)n1 ZINC001698990439 1406779208 /nfs/dbraw/zinc/77/92/08/1406779208.db2.gz CXJUBTSWAVNHCK-UHFFFAOYSA-N 1 2 340.899 3.309 20 30 EGEDLO C[C@@H](NC(=O)CCCC1CC1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001485515529 1395992993 /nfs/dbraw/zinc/99/29/93/1395992993.db2.gz BEUXKCGMJJUAIP-CQSZACIVSA-N 1 2 343.446 3.214 20 30 EGEDLO CCC[C@@H](CC)C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001494606112 1396485980 /nfs/dbraw/zinc/48/59/80/1396485980.db2.gz GWGCCSVMGYULTI-MRXNPFEDSA-N 1 2 331.435 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCc2ccc(C)s2)C1 ZINC001494740814 1396491723 /nfs/dbraw/zinc/49/17/23/1396491723.db2.gz OUEAVBHQUVACIW-AWEZNQCLSA-N 1 2 326.893 3.322 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCc2ccc(C)s2)C1 ZINC001494740814 1396491726 /nfs/dbraw/zinc/49/17/26/1396491726.db2.gz OUEAVBHQUVACIW-AWEZNQCLSA-N 1 2 326.893 3.322 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC001691058285 1404979850 /nfs/dbraw/zinc/97/98/50/1404979850.db2.gz CRHNIPFPOMYXIH-UHFFFAOYSA-N 1 2 331.847 3.486 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC001691058285 1404979858 /nfs/dbraw/zinc/97/98/58/1404979858.db2.gz CRHNIPFPOMYXIH-UHFFFAOYSA-N 1 2 331.847 3.486 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)C1(C)CCCC1 ZINC001691092735 1405028358 /nfs/dbraw/zinc/02/83/58/1405028358.db2.gz XIBNTDFVDJKHSP-CYBMUJFWSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(C)CCCC1 ZINC001691092735 1405028361 /nfs/dbraw/zinc/02/83/61/1405028361.db2.gz XIBNTDFVDJKHSP-CYBMUJFWSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1CCc2cc(F)ccc21)C1CC1 ZINC001691217629 1405158582 /nfs/dbraw/zinc/15/85/82/1405158582.db2.gz RMSPUGZWNRNXLO-QGZVFWFLSA-N 1 2 336.838 3.189 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1CCc2cc(F)ccc21)C1CC1 ZINC001691217629 1405158583 /nfs/dbraw/zinc/15/85/83/1405158583.db2.gz RMSPUGZWNRNXLO-QGZVFWFLSA-N 1 2 336.838 3.189 20 30 EGEDLO CCCC(C)(C)C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001692328181 1405946746 /nfs/dbraw/zinc/94/67/46/1405946746.db2.gz SOSRPZBUVPWYIH-UHFFFAOYSA-N 1 2 331.435 3.072 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CC23CC4CC(CC(C4)C2)C3)C1 ZINC001692346163 1405965772 /nfs/dbraw/zinc/96/57/72/1405965772.db2.gz WTEMDHHGWSALLD-UHFFFAOYSA-N 1 2 336.907 3.393 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CCC)C(=O)CCC2CC2)C1 ZINC001732036376 1428257464 /nfs/dbraw/zinc/25/74/64/1428257464.db2.gz SLSJZGVEPMAZJK-OAHLLOKOSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CCC)C(=O)CCC2CC2)C1 ZINC001732036376 1428257466 /nfs/dbraw/zinc/25/74/66/1428257466.db2.gz SLSJZGVEPMAZJK-OAHLLOKOSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)CCC2CCCC2)C1 ZINC001699814945 1413232557 /nfs/dbraw/zinc/23/25/57/1413232557.db2.gz ZTXBITVXAIMJCW-MRXNPFEDSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)CCC2CCCC2)C1 ZINC001699814945 1413232554 /nfs/dbraw/zinc/23/25/54/1413232554.db2.gz ZTXBITVXAIMJCW-MRXNPFEDSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C2(c3ccccc3)CCC2)C1 ZINC001700543211 1414210714 /nfs/dbraw/zinc/21/07/14/1414210714.db2.gz LDVAWCBXSCNMLN-HNNXBMFYSA-N 1 2 332.875 3.297 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CCCc2cccs2)C1 ZINC001700549355 1414219154 /nfs/dbraw/zinc/21/91/54/1414219154.db2.gz FOHZQDQZHGDWJV-ZDUSSCGKSA-N 1 2 326.893 3.260 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1csc(C(C)(C)C)n1 ZINC001732593963 1428823716 /nfs/dbraw/zinc/82/37/16/1428823716.db2.gz FYNPQZULNHFPBR-UHFFFAOYSA-N 1 2 343.924 3.126 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1csc(C(C)(C)C)n1 ZINC001732593963 1428823718 /nfs/dbraw/zinc/82/37/18/1428823718.db2.gz FYNPQZULNHFPBR-UHFFFAOYSA-N 1 2 343.924 3.126 20 30 EGEDLO CCCC[C@](C)(F)C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001713084331 1417630253 /nfs/dbraw/zinc/63/02/53/1417630253.db2.gz ASJFFFHZXHHGBU-LPHOPBHVSA-N 1 2 349.425 3.306 20 30 EGEDLO CCCC[C@](C)(F)C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001713084331 1417630255 /nfs/dbraw/zinc/63/02/55/1417630255.db2.gz ASJFFFHZXHHGBU-LPHOPBHVSA-N 1 2 349.425 3.306 20 30 EGEDLO C[N@H+](CCNC(=O)[C@H]1CCC(C)(C)C1)Cc1ccc(C#N)cc1F ZINC001713465822 1418127764 /nfs/dbraw/zinc/12/77/64/1418127764.db2.gz HZYHZTCKUVAEOU-HNNXBMFYSA-N 1 2 331.435 3.072 20 30 EGEDLO C[N@@H+](CCNC(=O)[C@H]1CCC(C)(C)C1)Cc1ccc(C#N)cc1F ZINC001713465822 1418127769 /nfs/dbraw/zinc/12/77/69/1418127769.db2.gz HZYHZTCKUVAEOU-HNNXBMFYSA-N 1 2 331.435 3.072 20 30 EGEDLO C[N@H+](CCNC(=O)c1sccc1C1CC1)Cc1ccccc1C#N ZINC001713474493 1418152255 /nfs/dbraw/zinc/15/22/55/1418152255.db2.gz ASPLJGLDYPJVJB-UHFFFAOYSA-N 1 2 339.464 3.359 20 30 EGEDLO C[N@@H+](CCNC(=O)c1sccc1C1CC1)Cc1ccccc1C#N ZINC001713474493 1418152260 /nfs/dbraw/zinc/15/22/60/1418152260.db2.gz ASPLJGLDYPJVJB-UHFFFAOYSA-N 1 2 339.464 3.359 20 30 EGEDLO CCC1(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)CCCC1 ZINC001713921902 1418715536 /nfs/dbraw/zinc/71/55/36/1418715536.db2.gz ZIMLAKNPCNGIMT-UHFFFAOYSA-N 1 2 325.456 3.077 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CCc2cccs2)C1 ZINC001714053650 1418852274 /nfs/dbraw/zinc/85/22/74/1418852274.db2.gz MWQSJNTYPUOKKW-CQSZACIVSA-N 1 2 326.893 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCc2cccs2)C1 ZINC001714053650 1418852277 /nfs/dbraw/zinc/85/22/77/1418852277.db2.gz MWQSJNTYPUOKKW-CQSZACIVSA-N 1 2 326.893 3.356 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC001714923085 1419675850 /nfs/dbraw/zinc/67/58/50/1419675850.db2.gz DCTFCGLRKMVBDC-HOCLYGCPSA-N 1 2 334.410 3.410 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC001714923085 1419675852 /nfs/dbraw/zinc/67/58/52/1419675852.db2.gz DCTFCGLRKMVBDC-HOCLYGCPSA-N 1 2 334.410 3.410 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](OC(C)C)c1ccccc1 ZINC001715539511 1420236983 /nfs/dbraw/zinc/23/69/83/1420236983.db2.gz IQVYCVIBYRITHZ-KRWDZBQOSA-N 1 2 338.879 3.295 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](OC(C)C)c1ccccc1 ZINC001715539511 1420236985 /nfs/dbraw/zinc/23/69/85/1420236985.db2.gz IQVYCVIBYRITHZ-KRWDZBQOSA-N 1 2 338.879 3.295 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1csc(C(C)(C)C)n1 ZINC001717492895 1421432030 /nfs/dbraw/zinc/43/20/30/1421432030.db2.gz MIIFICXLXZXUGX-LLVKDONJSA-N 1 2 329.897 3.243 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1csc(C(C)(C)C)n1 ZINC001717492895 1421432032 /nfs/dbraw/zinc/43/20/32/1421432032.db2.gz MIIFICXLXZXUGX-LLVKDONJSA-N 1 2 329.897 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)Cc2coc3ccccc23)C1 ZINC001733419024 1429624136 /nfs/dbraw/zinc/62/41/36/1429624136.db2.gz SLXLEAXDJIJPFB-GOSISDBHSA-N 1 2 332.831 3.308 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)Cc2coc3ccccc23)C1 ZINC001733419024 1429624137 /nfs/dbraw/zinc/62/41/37/1429624137.db2.gz SLXLEAXDJIJPFB-GOSISDBHSA-N 1 2 332.831 3.308 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)CCC2CC2)C[C@@H]1C ZINC001724987826 1425388628 /nfs/dbraw/zinc/38/86/28/1425388628.db2.gz CLHDNXJNWNWSLT-GXTWGEPZSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)CCC2CC2)C[C@@H]1C ZINC001724987826 1425388638 /nfs/dbraw/zinc/38/86/38/1425388638.db2.gz CLHDNXJNWNWSLT-GXTWGEPZSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCn1ccc2ccccc21 ZINC001725195590 1425749619 /nfs/dbraw/zinc/74/96/19/1425749619.db2.gz ZRBUFDVYANAMOE-HNNXBMFYSA-N 1 2 333.863 3.220 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCn1ccc2ccccc21 ZINC001725195590 1425749622 /nfs/dbraw/zinc/74/96/22/1425749622.db2.gz ZRBUFDVYANAMOE-HNNXBMFYSA-N 1 2 333.863 3.220 20 30 EGEDLO C[N@H+](CCCCC(F)(F)F)CCCNC(=O)C(F)C(F)(F)F ZINC001751979403 1440130280 /nfs/dbraw/zinc/13/02/80/1440130280.db2.gz YCDOCPNKGOAVPA-VIFPVBQESA-N 1 2 340.283 3.058 20 30 EGEDLO C[N@@H+](CCCCC(F)(F)F)CCCNC(=O)C(F)C(F)(F)F ZINC001751979403 1440130281 /nfs/dbraw/zinc/13/02/81/1440130281.db2.gz YCDOCPNKGOAVPA-VIFPVBQESA-N 1 2 340.283 3.058 20 30 EGEDLO C[N@H+](CCCCC(F)(F)F)CCCNC(=O)[C@H](F)C(F)(F)F ZINC001751979403 1440130283 /nfs/dbraw/zinc/13/02/83/1440130283.db2.gz YCDOCPNKGOAVPA-VIFPVBQESA-N 1 2 340.283 3.058 20 30 EGEDLO C[N@@H+](CCCCC(F)(F)F)CCCNC(=O)[C@H](F)C(F)(F)F ZINC001751979403 1440130284 /nfs/dbraw/zinc/13/02/84/1440130284.db2.gz YCDOCPNKGOAVPA-VIFPVBQESA-N 1 2 340.283 3.058 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2cc(F)ccc2F)C1 ZINC001752320461 1440170618 /nfs/dbraw/zinc/17/06/18/1440170618.db2.gz DCTFCGLRKMVBDC-GDBMZVCRSA-N 1 2 334.410 3.410 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2cc(F)ccc2F)C1 ZINC001752320461 1440170620 /nfs/dbraw/zinc/17/06/20/1440170620.db2.gz DCTFCGLRKMVBDC-GDBMZVCRSA-N 1 2 334.410 3.410 20 30 EGEDLO CCCCC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC001752400440 1440174062 /nfs/dbraw/zinc/17/40/62/1440174062.db2.gz YTAZGYQBZFEVCO-QGZVFWFLSA-N 1 2 343.446 3.358 20 30 EGEDLO CCCCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC001752400440 1440174063 /nfs/dbraw/zinc/17/40/63/1440174063.db2.gz YTAZGYQBZFEVCO-QGZVFWFLSA-N 1 2 343.446 3.358 20 30 EGEDLO C=C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(F)(F)C(F)F)C1)c1ccccc1 ZINC001752687364 1440199957 /nfs/dbraw/zinc/19/99/57/1440199957.db2.gz NYAQRPKGWJQEHP-MGPQQGTHSA-N 1 2 344.352 3.093 20 30 EGEDLO CC/C=C(/C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001752844317 1440231938 /nfs/dbraw/zinc/23/19/38/1440231938.db2.gz ZHJPCNRTEUXBOY-IDMQSIEPSA-N 1 2 342.870 3.094 20 30 EGEDLO CC/C=C(/C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001752844317 1440231939 /nfs/dbraw/zinc/23/19/39/1440231939.db2.gz ZHJPCNRTEUXBOY-IDMQSIEPSA-N 1 2 342.870 3.094 20 30 EGEDLO C=C[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ncc(C(C)C)o1)c1ccccc1 ZINC001752920333 1440248372 /nfs/dbraw/zinc/24/83/72/1440248372.db2.gz BHZGAZXAAHQBGO-NVXWUHKLSA-N 1 2 341.455 3.362 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1cnsn1 ZINC001753033574 1440273736 /nfs/dbraw/zinc/27/37/36/1440273736.db2.gz OVPWPTOFANGHQK-NVXWUHKLSA-N 1 2 336.505 3.001 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC[C@@H]1CCC[N@H+]1Cc1cnsn1 ZINC001753033574 1440273737 /nfs/dbraw/zinc/27/37/37/1440273737.db2.gz OVPWPTOFANGHQK-NVXWUHKLSA-N 1 2 336.505 3.001 20 30 EGEDLO C[N@H+](CCNC(=O)C1[C@H]2CCCCCC[C@H]12)Cc1ccccc1C#N ZINC001753065114 1440285145 /nfs/dbraw/zinc/28/51/45/1440285145.db2.gz DSQQVDLPPVWHTE-OALUTQOASA-N 1 2 339.483 3.323 20 30 EGEDLO C[N@@H+](CCNC(=O)C1[C@H]2CCCCCC[C@H]12)Cc1ccccc1C#N ZINC001753065114 1440285146 /nfs/dbraw/zinc/28/51/46/1440285146.db2.gz DSQQVDLPPVWHTE-OALUTQOASA-N 1 2 339.483 3.323 20 30 EGEDLO CC[N@H+](CCNC(=O)C[C@@H]1CCC[C@H]1C)Cc1cc(F)ccc1C#N ZINC001753082818 1440294742 /nfs/dbraw/zinc/29/47/42/1440294742.db2.gz SDBKAAAEEHAIRN-CVEARBPZSA-N 1 2 345.462 3.462 20 30 EGEDLO CC[N@@H+](CCNC(=O)C[C@@H]1CCC[C@H]1C)Cc1cc(F)ccc1C#N ZINC001753082818 1440294743 /nfs/dbraw/zinc/29/47/43/1440294743.db2.gz SDBKAAAEEHAIRN-CVEARBPZSA-N 1 2 345.462 3.462 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C1(c2ccc(F)cc2)CCC1 ZINC001753086049 1440296265 /nfs/dbraw/zinc/29/62/65/1440296265.db2.gz BGXLCIGWPWZFDP-UHFFFAOYSA-N 1 2 338.854 3.438 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C1(c2ccc(F)cc2)CCC1 ZINC001753086049 1440296266 /nfs/dbraw/zinc/29/62/66/1440296266.db2.gz BGXLCIGWPWZFDP-UHFFFAOYSA-N 1 2 338.854 3.438 20 30 EGEDLO C=C[C@H](C(=O)NCC[N@@H+](CC)Cc1nc(C)oc1C)c1ccccc1 ZINC001753094483 1440301589 /nfs/dbraw/zinc/30/15/89/1440301589.db2.gz AKRDDAHGSUGNEH-SFHVURJKSA-N 1 2 341.455 3.199 20 30 EGEDLO C=C[C@H](C(=O)NCC[N@H+](CC)Cc1nc(C)oc1C)c1ccccc1 ZINC001753094483 1440301590 /nfs/dbraw/zinc/30/15/90/1440301590.db2.gz AKRDDAHGSUGNEH-SFHVURJKSA-N 1 2 341.455 3.199 20 30 EGEDLO C=C[C@H](C(=O)NCC[N@@H+](CC)[C@H](C)c1ncc(C)o1)c1ccccc1 ZINC001753095208 1440302058 /nfs/dbraw/zinc/30/20/58/1440302058.db2.gz PTOJDPDZSRFEFK-AEFFLSMTSA-N 1 2 341.455 3.452 20 30 EGEDLO C=C[C@H](C(=O)NCC[N@H+](CC)[C@H](C)c1ncc(C)o1)c1ccccc1 ZINC001753095208 1440302059 /nfs/dbraw/zinc/30/20/59/1440302059.db2.gz PTOJDPDZSRFEFK-AEFFLSMTSA-N 1 2 341.455 3.452 20 30 EGEDLO CCCC1(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)CCC1 ZINC001753408334 1440392567 /nfs/dbraw/zinc/39/25/67/1440392567.db2.gz LUIDXBSIJYRNOU-UHFFFAOYSA-N 1 2 325.456 3.077 20 30 EGEDLO C#CCCCCCC(=O)N(C)[C@@H]1CC[N@H+](CC(=C)Br)C1 ZINC001753442729 1440402295 /nfs/dbraw/zinc/40/22/95/1440402295.db2.gz IYTDYOMGVYEZLP-OAHLLOKOSA-N 1 2 341.293 3.011 20 30 EGEDLO C#CCCCCCC(=O)N(C)[C@@H]1CC[N@@H+](CC(=C)Br)C1 ZINC001753442729 1440402296 /nfs/dbraw/zinc/40/22/96/1440402296.db2.gz IYTDYOMGVYEZLP-OAHLLOKOSA-N 1 2 341.293 3.011 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)CCCC(C)C)C1 ZINC001753443888 1440402893 /nfs/dbraw/zinc/40/28/93/1440402893.db2.gz GIPQWGCTBTVOMM-AWEZNQCLSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)CCCC(C)C)C1 ZINC001753443888 1440402894 /nfs/dbraw/zinc/40/28/94/1440402894.db2.gz GIPQWGCTBTVOMM-AWEZNQCLSA-N 1 2 331.298 3.254 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC2(C[NH+]([C@H](C)c3ncccn3)C2)CC1 ZINC001753675284 1440463144 /nfs/dbraw/zinc/46/31/44/1440463144.db2.gz YMLLHNISCOVDES-MRXNPFEDSA-N 1 2 342.487 3.064 20 30 EGEDLO C=CC1(CC(=O)N(C)[C@H](C)C[NH2+]Cc2csnn2)CCCCC1 ZINC001753715714 1440471902 /nfs/dbraw/zinc/47/19/02/1440471902.db2.gz CQKMLEJGJBOIST-CQSZACIVSA-N 1 2 336.505 3.001 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001753860445 1440510996 /nfs/dbraw/zinc/51/09/96/1440510996.db2.gz XTBAQLKGDFEMPK-NNZMDNLPSA-N 1 2 339.483 3.275 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001753860445 1440510997 /nfs/dbraw/zinc/51/09/97/1440510997.db2.gz XTBAQLKGDFEMPK-NNZMDNLPSA-N 1 2 339.483 3.275 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1cccc(Cl)c1 ZINC001753867102 1440514900 /nfs/dbraw/zinc/51/49/00/1440514900.db2.gz DOFWJMHUTIVDLX-UHFFFAOYSA-N 1 2 341.842 3.416 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1cccc(Cl)c1 ZINC001753867102 1440514901 /nfs/dbraw/zinc/51/49/01/1440514901.db2.gz DOFWJMHUTIVDLX-UHFFFAOYSA-N 1 2 341.842 3.416 20 30 EGEDLO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1C#N)NC(=O)c1ccoc1Cl ZINC001754308087 1440571912 /nfs/dbraw/zinc/57/19/12/1440571912.db2.gz NBNGWUMEPCQKLH-NSHDSACASA-N 1 2 349.793 3.194 20 30 EGEDLO C[C@@H](C[N@@H+](C)Cc1cc(F)ccc1C#N)NC(=O)c1ccoc1Cl ZINC001754308087 1440571913 /nfs/dbraw/zinc/57/19/13/1440571913.db2.gz NBNGWUMEPCQKLH-NSHDSACASA-N 1 2 349.793 3.194 20 30 EGEDLO CC(C)C#CC(=O)NC[C@H]1CC[N@@H+]1Cc1c(Cl)oc2ccccc21 ZINC001754483460 1440608018 /nfs/dbraw/zinc/60/80/18/1440608018.db2.gz IWUGSCUNWVRYOP-CQSZACIVSA-N 1 2 344.842 3.436 20 30 EGEDLO CC(C)C#CC(=O)NC[C@H]1CC[N@H+]1Cc1c(Cl)oc2ccccc21 ZINC001754483460 1440608019 /nfs/dbraw/zinc/60/80/19/1440608019.db2.gz IWUGSCUNWVRYOP-CQSZACIVSA-N 1 2 344.842 3.436 20 30 EGEDLO C#CCN(C(=O)[C@@H](CCC)C(C)C)C1CC[NH+](Cc2ccon2)CC1 ZINC001754641356 1440649122 /nfs/dbraw/zinc/64/91/22/1440649122.db2.gz ZCPBBSSXTSZLCX-IBGZPJMESA-N 1 2 345.487 3.173 20 30 EGEDLO CC/C(C)=C\C(=O)N[C@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001754670962 1440657866 /nfs/dbraw/zinc/65/78/66/1440657866.db2.gz UBLYDDVLOWEYOP-BZPDREMPSA-N 1 2 329.419 3.134 20 30 EGEDLO CC/C(C)=C\C(=O)N[C@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001754670962 1440657867 /nfs/dbraw/zinc/65/78/67/1440657867.db2.gz UBLYDDVLOWEYOP-BZPDREMPSA-N 1 2 329.419 3.134 20 30 EGEDLO CC/C(C)=C/C(=O)N[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001754670964 1440657872 /nfs/dbraw/zinc/65/78/72/1440657872.db2.gz UBLYDDVLOWEYOP-JNMQVBFRSA-N 1 2 329.419 3.134 20 30 EGEDLO CC/C(C)=C/C(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001754670964 1440657873 /nfs/dbraw/zinc/65/78/73/1440657873.db2.gz UBLYDDVLOWEYOP-JNMQVBFRSA-N 1 2 329.419 3.134 20 30 EGEDLO CC#CCCCC(=O)N[C@]1(C)CC[N@H+](Cc2ncoc2C(C)C)C1 ZINC001754678954 1440661371 /nfs/dbraw/zinc/66/13/71/1440661371.db2.gz XASHWRZSIYYWGN-LJQANCHMSA-N 1 2 331.460 3.072 20 30 EGEDLO CC#CCCCC(=O)N[C@]1(C)CC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001754678954 1440661372 /nfs/dbraw/zinc/66/13/72/1440661372.db2.gz XASHWRZSIYYWGN-LJQANCHMSA-N 1 2 331.460 3.072 20 30 EGEDLO C=C(C)CC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2c2cccnc2)CC1 ZINC001754720320 1440672977 /nfs/dbraw/zinc/67/29/77/1440672977.db2.gz LQLYLITVUXHFMF-RBUKOAKNSA-N 1 2 341.499 3.370 20 30 EGEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)CCCC[C@H](C)CC)C2)CC1 ZINC001755020001 1440726508 /nfs/dbraw/zinc/72/65/08/1440726508.db2.gz WENWFICJAYAPQC-WOJBJXKFSA-N 1 2 349.563 3.388 20 30 EGEDLO C=CCC[C@@H](C)[N@@H+]1Cc2ccc(CNC(=O)c3[nH]ncc3F)cc2C1 ZINC001755102419 1440753322 /nfs/dbraw/zinc/75/33/22/1440753322.db2.gz SWBGSZLNLQLGSZ-CYBMUJFWSA-N 1 2 342.418 3.149 20 30 EGEDLO C=CCC[C@@H](C)[N@H+]1Cc2ccc(CNC(=O)c3[nH]ncc3F)cc2C1 ZINC001755102419 1440753323 /nfs/dbraw/zinc/75/33/23/1440753323.db2.gz SWBGSZLNLQLGSZ-CYBMUJFWSA-N 1 2 342.418 3.149 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ncoc1-c1ccccc1 ZINC001755302027 1440808855 /nfs/dbraw/zinc/80/88/55/1440808855.db2.gz XMYYCONPRMSYNV-CYBMUJFWSA-N 1 2 333.819 3.144 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ncoc1-c1ccccc1 ZINC001755302027 1440808856 /nfs/dbraw/zinc/80/88/56/1440808856.db2.gz XMYYCONPRMSYNV-CYBMUJFWSA-N 1 2 333.819 3.144 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H](C)C1C[NH+](Cc2ncoc2C(C)C)C1 ZINC001755381667 1440839460 /nfs/dbraw/zinc/83/94/60/1440839460.db2.gz KKBJSGKOGGOXOX-AUUYWEPGSA-N 1 2 333.476 3.337 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H](C)C1C[NH+](Cc2cccc(Cl)n2)C1 ZINC001755387134 1440840864 /nfs/dbraw/zinc/84/08/64/1440840864.db2.gz ZVARTHGXKVHEEU-ZDUSSCGKSA-N 1 2 335.879 3.274 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ncccn2)CC1(C)C ZINC001755409286 1440845596 /nfs/dbraw/zinc/84/55/96/1440845596.db2.gz YQABSAOLNMKPFF-NVXWUHKLSA-N 1 2 342.487 3.133 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2ncccn2)CC1(C)C ZINC001755409286 1440845597 /nfs/dbraw/zinc/84/55/97/1440845597.db2.gz YQABSAOLNMKPFF-NVXWUHKLSA-N 1 2 342.487 3.133 20 30 EGEDLO C=C(C)CC[NH2+]C[C@@H](NC(=O)C(C)(C)n1cnc(C)c1)C(C)(C)C ZINC001755826854 1440927526 /nfs/dbraw/zinc/92/75/26/1440927526.db2.gz YXYFZXHSEWAYMW-MRXNPFEDSA-N 1 2 334.508 3.013 20 30 EGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)COc2c(C)cccc2C)CC1 ZINC001755897598 1440943072 /nfs/dbraw/zinc/94/30/72/1440943072.db2.gz DDRYESOJXMFOEZ-UHFFFAOYSA-N 1 2 348.874 3.183 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)COc2c(C)cccc2C)CC1 ZINC001755897598 1440943073 /nfs/dbraw/zinc/94/30/73/1440943073.db2.gz DDRYESOJXMFOEZ-UHFFFAOYSA-N 1 2 348.874 3.183 20 30 EGEDLO C=CC[NH+]1CCN(C(F)(F)C2(c3ccnc(Cl)c3)CC2)CC1 ZINC001165034060 721873556 /nfs/dbraw/zinc/87/35/56/721873556.db2.gz DYCYIOZGYLCXQR-UHFFFAOYSA-N 1 2 327.806 3.163 20 30 EGEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1F)Cc1cccc(C#N)c1 ZINC000046517977 282356765 /nfs/dbraw/zinc/35/67/65/282356765.db2.gz ULOYYXKLJGDHNH-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1F)Cc1cccc(C#N)c1 ZINC000046517977 282356768 /nfs/dbraw/zinc/35/67/68/282356768.db2.gz ULOYYXKLJGDHNH-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCS[C@H](C(C)C)C2)c(C#N)c1C ZINC000072836323 216313302 /nfs/dbraw/zinc/31/33/02/216313302.db2.gz VIKXHOMWLPQLQU-WFASDCNBSA-N 1 2 335.473 3.169 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCS[C@H](C(C)C)C2)c(C#N)c1C ZINC000072836323 216313306 /nfs/dbraw/zinc/31/33/06/216313306.db2.gz VIKXHOMWLPQLQU-WFASDCNBSA-N 1 2 335.473 3.169 20 30 EGEDLO N#Cc1cc(F)ccc1N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000266161673 248139819 /nfs/dbraw/zinc/13/98/19/248139819.db2.gz NNYGHRQSKZFHPP-LJQANCHMSA-N 1 2 325.387 3.183 20 30 EGEDLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000092976779 218184367 /nfs/dbraw/zinc/18/43/67/218184367.db2.gz FDQNEDSGYIUMSI-UHFFFAOYSA-N 1 2 347.422 3.276 20 30 EGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1nc(Cl)c(C#N)s1 ZINC000287871207 269690485 /nfs/dbraw/zinc/69/04/85/269690485.db2.gz MPXHHEAGFVSLNF-UHFFFAOYSA-N 1 2 335.742 3.063 20 30 EGEDLO COCCOc1ccc(C#N)cc1NC(=O)Nc1ccc(C)[nH+]c1C ZINC000183882272 533222478 /nfs/dbraw/zinc/22/24/78/533222478.db2.gz YXZVPUNVYARTBY-UHFFFAOYSA-N 1 2 340.383 3.239 20 30 EGEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000119676822 221374626 /nfs/dbraw/zinc/37/46/26/221374626.db2.gz MOCLUHCJSPOAGL-UHFFFAOYSA-N 1 2 340.408 3.190 20 30 EGEDLO NC(=[NH+]OCc1cn2cc(Cl)ccc2n1)c1ccc(F)c(F)c1 ZINC000065205105 258062446 /nfs/dbraw/zinc/06/24/46/258062446.db2.gz OXVBMXKXMNVLOS-UHFFFAOYSA-N 1 2 336.729 3.103 20 30 EGEDLO COc1cc(C#N)ccc1C[N@@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000351061023 144253865 /nfs/dbraw/zinc/25/38/65/144253865.db2.gz GLRKLKCOMPTSQF-UHFFFAOYSA-N 1 2 344.418 3.311 20 30 EGEDLO COc1cc(C#N)ccc1C[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000351061023 144253866 /nfs/dbraw/zinc/25/38/66/144253866.db2.gz GLRKLKCOMPTSQF-UHFFFAOYSA-N 1 2 344.418 3.311 20 30 EGEDLO COc1cc(OC)c2ncc(C#N)c(NCCNc3cccc[nH+]3)c2c1 ZINC000341345138 155244090 /nfs/dbraw/zinc/24/40/90/155244090.db2.gz JIYUZFPFAYJXOA-UHFFFAOYSA-N 1 2 349.394 3.043 20 30 EGEDLO Cn1cc[nH+]c1[C@H](Nc1nccc(C#N)c1Cl)c1ccccc1F ZINC000341456977 155302728 /nfs/dbraw/zinc/30/27/28/155302728.db2.gz NPWBKZKWHAHRDM-OAHLLOKOSA-N 1 2 341.777 3.103 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115571529 152020891 /nfs/dbraw/zinc/02/08/91/152020891.db2.gz FBCXEIKTAWOVMD-LJQANCHMSA-N 1 2 337.398 3.325 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115571529 152020894 /nfs/dbraw/zinc/02/08/94/152020894.db2.gz FBCXEIKTAWOVMD-LJQANCHMSA-N 1 2 337.398 3.325 20 30 EGEDLO N#Cc1cc(C[NH+]2CCN(c3cc(F)ccc3F)CC2)ccc1F ZINC000121698635 152366822 /nfs/dbraw/zinc/36/68/22/152366822.db2.gz NQXHNHXIEXNKJC-UHFFFAOYSA-N 1 2 331.341 3.298 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000125789299 152475017 /nfs/dbraw/zinc/47/50/17/152475017.db2.gz WSILWEXUDTXNPY-UHFFFAOYSA-N 1 2 332.407 3.265 20 30 EGEDLO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000191985248 153235472 /nfs/dbraw/zinc/23/54/72/153235472.db2.gz HXVAVTZSJZASQZ-UHFFFAOYSA-N 1 2 333.407 3.140 20 30 EGEDLO CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000191985248 153235475 /nfs/dbraw/zinc/23/54/75/153235475.db2.gz HXVAVTZSJZASQZ-UHFFFAOYSA-N 1 2 333.407 3.140 20 30 EGEDLO N#Cc1cc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)ccn1 ZINC000339971121 155056796 /nfs/dbraw/zinc/05/67/96/155056796.db2.gz HQBRSNORNGIOKE-UHFFFAOYSA-N 1 2 346.356 3.294 20 30 EGEDLO Cc1noc([C@@H]([NH2+][C@@H](C)c2cccc(C#N)c2)C2CCOCC2)n1 ZINC000345299458 156041474 /nfs/dbraw/zinc/04/14/74/156041474.db2.gz IWZJEUPZTAPPOJ-SJCJKPOMSA-N 1 2 326.400 3.068 20 30 EGEDLO Cc1noc([C@H]([NH2+][C@H](C)c2cccc(C#N)c2)C2CCOCC2)n1 ZINC000345299459 156041515 /nfs/dbraw/zinc/04/15/15/156041515.db2.gz IWZJEUPZTAPPOJ-SJKOYZFVSA-N 1 2 326.400 3.068 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)s1 ZINC000128942623 162340103 /nfs/dbraw/zinc/34/01/03/162340103.db2.gz NVOYDLVBGRUDIF-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)s1 ZINC000128942623 162340108 /nfs/dbraw/zinc/34/01/08/162340108.db2.gz NVOYDLVBGRUDIF-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO N#Cc1nnc2ccccc2c1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000354302712 166000021 /nfs/dbraw/zinc/00/00/21/166000021.db2.gz LQYFFSXHIUETIW-UHFFFAOYSA-N 1 2 344.353 3.438 20 30 EGEDLO COc1cc(N2CC[NH+](Cc3cc(F)ccc3C#N)CC2)ccc1F ZINC000338636965 163299962 /nfs/dbraw/zinc/29/99/62/163299962.db2.gz LNIPICFPUWRUSN-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)C[C@H]1COc2ccccc2O1 ZINC000345905018 164291328 /nfs/dbraw/zinc/29/13/28/164291328.db2.gz PEGOLHPEWNUXKV-KRWDZBQOSA-N 1 2 326.371 3.359 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)C[C@H]1COc2ccccc2O1 ZINC000345905018 164291332 /nfs/dbraw/zinc/29/13/32/164291332.db2.gz PEGOLHPEWNUXKV-KRWDZBQOSA-N 1 2 326.371 3.359 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)C1CC1 ZINC000350192289 165018582 /nfs/dbraw/zinc/01/85/82/165018582.db2.gz QOBUEKAWEJVGLP-AWEZNQCLSA-N 1 2 329.791 3.218 20 30 EGEDLO C[C@@H](c1ccc(F)cc1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512388 287135583 /nfs/dbraw/zinc/13/55/83/287135583.db2.gz GIJZHWVJRZPJDY-AWEZNQCLSA-N 1 2 346.427 3.164 20 30 EGEDLO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512388 287135584 /nfs/dbraw/zinc/13/55/84/287135584.db2.gz GIJZHWVJRZPJDY-AWEZNQCLSA-N 1 2 346.427 3.164 20 30 EGEDLO COc1cccc(C(F)(F)C[NH2+][C@@H]2CCc3ccc(C#N)cc32)n1 ZINC000353656859 165848272 /nfs/dbraw/zinc/84/82/72/165848272.db2.gz JCHOKNPYCLBACQ-OAHLLOKOSA-N 1 2 329.350 3.331 20 30 EGEDLO CNc1ccc(C#N)cc1NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000355646459 166271078 /nfs/dbraw/zinc/27/10/78/166271078.db2.gz UGOVUUIPVWBGCJ-UHFFFAOYSA-N 1 2 331.379 3.346 20 30 EGEDLO N#Cc1ccc(-n2ccc(NCc3cn4ccccc4[nH+]3)n2)c(Cl)c1 ZINC000359792699 167233694 /nfs/dbraw/zinc/23/36/94/167233694.db2.gz LELGFKFWLGIQNU-UHFFFAOYSA-N 1 2 348.797 3.079 20 30 EGEDLO CC(C)c1cnc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)s1 ZINC000367776640 168268716 /nfs/dbraw/zinc/26/87/16/168268716.db2.gz FQVMAXBYYNKSEA-AWEZNQCLSA-N 1 2 328.441 3.186 20 30 EGEDLO CC(C)c1cnc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)s1 ZINC000367776640 168268717 /nfs/dbraw/zinc/26/87/17/168268717.db2.gz FQVMAXBYYNKSEA-AWEZNQCLSA-N 1 2 328.441 3.186 20 30 EGEDLO Cc1cnc(C(C)(C)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)s1 ZINC000298953226 270043734 /nfs/dbraw/zinc/04/37/34/270043734.db2.gz OOFCLYDEFHVZBO-GFCCVEGCSA-N 1 2 346.481 3.015 20 30 EGEDLO C#CC[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 ZINC000378518969 270046278 /nfs/dbraw/zinc/04/62/78/270046278.db2.gz MMGXMIKVDPFLEN-GOSISDBHSA-N 1 2 328.375 3.462 20 30 EGEDLO N#Cc1ccc(/C=C\C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000491198660 270057686 /nfs/dbraw/zinc/05/76/86/270057686.db2.gz DEXLVGJZZVRXBL-LUAWRHEFSA-N 1 2 346.434 3.273 20 30 EGEDLO CCC[C@]1(CO)CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000288731655 266083391 /nfs/dbraw/zinc/08/33/91/266083391.db2.gz GQOKEKSFZYQXQX-INIZCTEOSA-N 1 2 337.261 3.305 20 30 EGEDLO CCC[C@]1(CO)CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000288731655 266083394 /nfs/dbraw/zinc/08/33/94/266083394.db2.gz GQOKEKSFZYQXQX-INIZCTEOSA-N 1 2 337.261 3.305 20 30 EGEDLO CCCc1nc(C)c(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)o1 ZINC000428311812 267043628 /nfs/dbraw/zinc/04/36/28/267043628.db2.gz RSMKOYKDKYTTQL-SFHVURJKSA-N 1 2 325.412 3.381 20 30 EGEDLO CCCc1nc(C)c(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)o1 ZINC000428311812 267043630 /nfs/dbraw/zinc/04/36/30/267043630.db2.gz RSMKOYKDKYTTQL-SFHVURJKSA-N 1 2 325.412 3.381 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000329811557 267143524 /nfs/dbraw/zinc/14/35/24/267143524.db2.gz CTDZOYRFYYEUPZ-KBRIMQKVSA-N 1 2 327.428 3.424 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000329811557 267143529 /nfs/dbraw/zinc/14/35/29/267143529.db2.gz CTDZOYRFYYEUPZ-KBRIMQKVSA-N 1 2 327.428 3.424 20 30 EGEDLO Cc1cccc([C@@H](C)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000523486278 268056349 /nfs/dbraw/zinc/05/63/49/268056349.db2.gz DAACOLQQLRYYPZ-GOSISDBHSA-N 1 2 347.462 3.315 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CC(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425128857 268080875 /nfs/dbraw/zinc/08/08/75/268080875.db2.gz LBXHBZCLHVRZFP-CQSZACIVSA-N 1 2 332.407 3.436 20 30 EGEDLO N#Cc1ccc(Cl)c(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000285608067 268096239 /nfs/dbraw/zinc/09/62/39/268096239.db2.gz WKAOWLKOJDIHIW-UHFFFAOYSA-N 1 2 340.814 3.137 20 30 EGEDLO N#Cc1ccc(N2CCC([NH2+]Cc3cccc(Cl)c3O)CC2)nc1 ZINC000375048882 268108311 /nfs/dbraw/zinc/10/83/11/268108311.db2.gz KFPLKMYLWFYURF-UHFFFAOYSA-N 1 2 342.830 3.071 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](CCc3cscn3)CC2)c(Cl)c1 ZINC000296081912 268117341 /nfs/dbraw/zinc/11/73/41/268117341.db2.gz SODLMRZCOHBLNR-UHFFFAOYSA-N 1 2 332.860 3.033 20 30 EGEDLO N#Cc1ccc(NC[C@@H](c2cccc(F)c2)[NH+]2CCOCC2)cc1 ZINC000301103504 268156190 /nfs/dbraw/zinc/15/61/90/268156190.db2.gz IVYATTHUWZYMEV-IBGZPJMESA-N 1 2 325.387 3.183 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)ccc1F ZINC000411974577 268180270 /nfs/dbraw/zinc/18/02/70/268180270.db2.gz APEIFWRUGTVUKW-FQEVSTJZSA-N 1 2 336.366 3.307 20 30 EGEDLO N#Cc1cc(C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)ccc1F ZINC000411974577 268180271 /nfs/dbraw/zinc/18/02/71/268180271.db2.gz APEIFWRUGTVUKW-FQEVSTJZSA-N 1 2 336.366 3.307 20 30 EGEDLO N#Cc1ccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)c(Cl)c1 ZINC000426124503 268245836 /nfs/dbraw/zinc/24/58/36/268245836.db2.gz SLMVQDYWFWIIBH-UHFFFAOYSA-N 1 2 343.818 3.109 20 30 EGEDLO CC(C)N(C)c1ccc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cn1 ZINC000459608871 269617938 /nfs/dbraw/zinc/61/79/38/269617938.db2.gz ILBKOVFLERBABS-UHFFFAOYSA-N 1 2 336.439 3.061 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000263744282 298195745 /nfs/dbraw/zinc/19/57/45/298195745.db2.gz RQGDFEJQNVPQIN-QRWLVFNGSA-N 1 2 349.434 3.131 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000263744282 298195748 /nfs/dbraw/zinc/19/57/48/298195748.db2.gz RQGDFEJQNVPQIN-QRWLVFNGSA-N 1 2 349.434 3.131 20 30 EGEDLO N#Cc1cccc(/C=C/C(=O)Nc2ccccc2C[NH+]2CCOCC2)c1 ZINC000055816838 307341592 /nfs/dbraw/zinc/34/15/92/307341592.db2.gz PNLNABHFVPIPGN-CMDGGOBGSA-N 1 2 347.418 3.042 20 30 EGEDLO COC(=O)c1cccc(C[N@H+](C)Cc2ccc(F)c(F)c2)c1C#N ZINC000535979375 314086434 /nfs/dbraw/zinc/08/64/34/314086434.db2.gz UUYDHVNIJAOHAN-UHFFFAOYSA-N 1 2 330.334 3.255 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2ccc(F)c(F)c2)c1C#N ZINC000535979375 314086436 /nfs/dbraw/zinc/08/64/36/314086436.db2.gz UUYDHVNIJAOHAN-UHFFFAOYSA-N 1 2 330.334 3.255 20 30 EGEDLO COC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2F)c1C#N ZINC000553007683 315241141 /nfs/dbraw/zinc/24/11/41/315241141.db2.gz LNDSLHWJQJJYIW-NSHDSACASA-N 1 2 330.334 3.474 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3c(F)cccc3Cl)CC2)nc1 ZINC000555669741 315397269 /nfs/dbraw/zinc/39/72/69/315397269.db2.gz SVGMXMWEKQQBPJ-UHFFFAOYSA-N 1 2 344.821 3.064 20 30 EGEDLO CCOc1c(Cl)cc(C[N@@H+](CCC#N)CCOC)cc1OC ZINC000093099937 454682146 /nfs/dbraw/zinc/68/21/46/454682146.db2.gz DMJJNUBGDSHYQV-UHFFFAOYSA-N 1 2 326.824 3.109 20 30 EGEDLO CCOc1c(Cl)cc(C[N@H+](CCC#N)CCOC)cc1OC ZINC000093099937 454682148 /nfs/dbraw/zinc/68/21/48/454682148.db2.gz DMJJNUBGDSHYQV-UHFFFAOYSA-N 1 2 326.824 3.109 20 30 EGEDLO Cn1cc(Br)cc1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000151539820 454999111 /nfs/dbraw/zinc/99/91/11/454999111.db2.gz VKZMJRSYHYACFT-UHFFFAOYSA-N 1 2 336.208 3.430 20 30 EGEDLO Cn1cc(Br)cc1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000151539820 454999113 /nfs/dbraw/zinc/99/91/13/454999113.db2.gz VKZMJRSYHYACFT-UHFFFAOYSA-N 1 2 336.208 3.430 20 30 EGEDLO N#Cc1cn(CCCc2[nH]c3ccccc3[nH+]2)c2ccccc2c1=O ZINC000574356097 317588790 /nfs/dbraw/zinc/58/87/90/317588790.db2.gz BZMGGGIMGAKPLD-UHFFFAOYSA-N 1 2 328.375 3.382 20 30 EGEDLO C[C@@H](C#N)C[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000235482897 456151875 /nfs/dbraw/zinc/15/18/75/456151875.db2.gz PYHUWORIHBBEJD-ZETCQYMHSA-N 1 2 348.038 3.166 20 30 EGEDLO C=C1CC[NH+](CC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)CC1 ZINC000264517649 455228285 /nfs/dbraw/zinc/22/82/85/455228285.db2.gz ZFXFOJVSCMASNM-UHFFFAOYSA-N 1 2 338.455 3.388 20 30 EGEDLO N#Cc1cc(C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)c[nH]1 ZINC000180834795 455253616 /nfs/dbraw/zinc/25/36/16/455253616.db2.gz OHGCSKOEJQLSGG-UHFFFAOYSA-N 1 2 331.379 3.338 20 30 EGEDLO C=CCOC[C@@H]([NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1)C(=O)OC ZINC000482440739 459308491 /nfs/dbraw/zinc/30/84/91/459308491.db2.gz RGXYYKOKVPKVDU-GFJIZPEISA-N 1 2 337.382 3.077 20 30 EGEDLO C[C@@]1(C#N)CCC[N@H+](C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000612164721 460558019 /nfs/dbraw/zinc/55/80/19/460558019.db2.gz GFNNTXBSYGMJGX-HOCLYGCPSA-N 1 2 342.361 3.071 20 30 EGEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000612164721 460558023 /nfs/dbraw/zinc/55/80/23/460558023.db2.gz GFNNTXBSYGMJGX-HOCLYGCPSA-N 1 2 342.361 3.071 20 30 EGEDLO C[N@H+](CCOc1ccccc1Cl)CC(=O)Nc1sccc1C#N ZINC000015103654 453558095 /nfs/dbraw/zinc/55/80/95/453558095.db2.gz CHGZOJRFPXJPEK-UHFFFAOYSA-N 1 2 349.843 3.222 20 30 EGEDLO C[N@@H+](CCOc1ccccc1Cl)CC(=O)Nc1sccc1C#N ZINC000015103654 453558099 /nfs/dbraw/zinc/55/80/99/453558099.db2.gz CHGZOJRFPXJPEK-UHFFFAOYSA-N 1 2 349.843 3.222 20 30 EGEDLO C#CC[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000018942549 453652659 /nfs/dbraw/zinc/65/26/59/453652659.db2.gz IJJWUJUSLMSJTH-MRXNPFEDSA-N 1 2 343.770 3.151 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1 ZINC000024002008 453721589 /nfs/dbraw/zinc/72/15/89/453721589.db2.gz RVQHHLUJSFDTNY-UHFFFAOYSA-N 1 2 345.402 3.262 20 30 EGEDLO COc1ccc(-c2nnc(C[N@H+](C)Cc3cccc(C#N)c3)o2)cc1 ZINC000026328296 453796856 /nfs/dbraw/zinc/79/68/56/453796856.db2.gz OEJMVRYIAHNYPE-UHFFFAOYSA-N 1 2 334.379 3.249 20 30 EGEDLO COc1ccc(-c2nnc(C[N@@H+](C)Cc3cccc(C#N)c3)o2)cc1 ZINC000026328296 453796857 /nfs/dbraw/zinc/79/68/57/453796857.db2.gz OEJMVRYIAHNYPE-UHFFFAOYSA-N 1 2 334.379 3.249 20 30 EGEDLO CSc1ccc(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000026328653 453796876 /nfs/dbraw/zinc/79/68/76/453796876.db2.gz DPORIIVIRSZBEC-UHFFFAOYSA-N 1 2 325.437 3.351 20 30 EGEDLO CSc1ccc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000026328653 453796878 /nfs/dbraw/zinc/79/68/78/453796878.db2.gz DPORIIVIRSZBEC-UHFFFAOYSA-N 1 2 325.437 3.351 20 30 EGEDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000026759108 453805262 /nfs/dbraw/zinc/80/52/62/453805262.db2.gz MOVHVERATAQDLH-CQSZACIVSA-N 1 2 349.463 3.446 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C(=O)OC)c1)Cc1ccccc1 ZINC000027776327 453820434 /nfs/dbraw/zinc/82/04/34/453820434.db2.gz PMIUQRJSOSCACD-UHFFFAOYSA-N 1 2 338.407 3.100 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1cccc(C(=O)OC)c1)Cc1ccccc1 ZINC000027776327 453820435 /nfs/dbraw/zinc/82/04/35/453820435.db2.gz PMIUQRJSOSCACD-UHFFFAOYSA-N 1 2 338.407 3.100 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)CCc1ccc(C#N)cc1)c1ccccc1 ZINC000029070814 453826213 /nfs/dbraw/zinc/82/62/13/453826213.db2.gz IVDSCZHHISXGQK-HXUWFJFHSA-N 1 2 344.418 3.130 20 30 EGEDLO CC[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000029931551 453832711 /nfs/dbraw/zinc/83/27/11/453832711.db2.gz XOIRJOSCRIMCAB-NRFANRHFSA-N 1 2 347.462 3.396 20 30 EGEDLO C=CCOc1ccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000030216593 453834531 /nfs/dbraw/zinc/83/45/31/453834531.db2.gz UCGQHKFQOZYTFA-UHFFFAOYSA-N 1 2 347.418 3.426 20 30 EGEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000066469506 453847541 /nfs/dbraw/zinc/84/75/41/453847541.db2.gz ULWNMTFOQDXRIH-IRXDYDNUSA-N 1 2 340.423 3.310 20 30 EGEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000066469506 453847543 /nfs/dbraw/zinc/84/75/43/453847543.db2.gz ULWNMTFOQDXRIH-IRXDYDNUSA-N 1 2 340.423 3.310 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(OC)cc1 ZINC000054272401 453919836 /nfs/dbraw/zinc/91/98/36/453919836.db2.gz ZBVKSHAQNBTTEP-UHFFFAOYSA-N 1 2 341.436 3.255 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(OC)cc1 ZINC000054272401 453919838 /nfs/dbraw/zinc/91/98/38/453919838.db2.gz ZBVKSHAQNBTTEP-UHFFFAOYSA-N 1 2 341.436 3.255 20 30 EGEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCc3c4ccccc4[nH]c3C2)c1 ZINC000039228554 453943259 /nfs/dbraw/zinc/94/32/59/453943259.db2.gz XVINCLPJQUDBQT-UHFFFAOYSA-N 1 2 330.391 3.036 20 30 EGEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCc3c4ccccc4[nH]c3C2)c1 ZINC000039228554 453943270 /nfs/dbraw/zinc/94/32/70/453943270.db2.gz XVINCLPJQUDBQT-UHFFFAOYSA-N 1 2 330.391 3.036 20 30 EGEDLO CC1(C)C[N@H+](CC(=O)Nc2ccccc2SCC#N)CCS1 ZINC000083415133 453948042 /nfs/dbraw/zinc/94/80/42/453948042.db2.gz GYMSGUCFTQYRIU-UHFFFAOYSA-N 1 2 335.498 3.068 20 30 EGEDLO CC1(C)C[N@@H+](CC(=O)Nc2ccccc2SCC#N)CCS1 ZINC000083415133 453948046 /nfs/dbraw/zinc/94/80/46/453948046.db2.gz GYMSGUCFTQYRIU-UHFFFAOYSA-N 1 2 335.498 3.068 20 30 EGEDLO CCN(CC)c1ccc(CNc2ccc([N+](=O)[O-])cc2C#N)c[nH+]1 ZINC000076799594 454038182 /nfs/dbraw/zinc/03/81/82/454038182.db2.gz PQNRJYVYYSUOKL-UHFFFAOYSA-N 1 2 325.372 3.320 20 30 EGEDLO C=C(C)C[N@@H+](CC)Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000056267410 454047668 /nfs/dbraw/zinc/04/76/68/454047668.db2.gz BDTMVXRWVNSXLN-UHFFFAOYSA-N 1 2 325.338 3.079 20 30 EGEDLO C=C(C)C[N@H+](CC)Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000056267410 454047669 /nfs/dbraw/zinc/04/76/69/454047669.db2.gz BDTMVXRWVNSXLN-UHFFFAOYSA-N 1 2 325.338 3.079 20 30 EGEDLO N#Cc1cccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000043329683 454056264 /nfs/dbraw/zinc/05/62/64/454056264.db2.gz OQURUYOJAFUSLZ-UHFFFAOYSA-N 1 2 345.406 3.167 20 30 EGEDLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)on1 ZINC000076993611 454058252 /nfs/dbraw/zinc/05/82/52/454058252.db2.gz JBPPQXOOKVFIID-OAHLLOKOSA-N 1 2 344.802 3.284 20 30 EGEDLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)on1 ZINC000076993611 454058257 /nfs/dbraw/zinc/05/82/57/454058257.db2.gz JBPPQXOOKVFIID-OAHLLOKOSA-N 1 2 344.802 3.284 20 30 EGEDLO C=CC[N@@H+](CC(=O)N1[C@H](C)CCC[C@@H]1C)Cc1cccc(C#N)c1 ZINC000068855650 454060096 /nfs/dbraw/zinc/06/00/96/454060096.db2.gz TZTJMZYQOGHDOK-CALCHBBNSA-N 1 2 325.456 3.336 20 30 EGEDLO C=CC[N@H+](CC(=O)N1[C@H](C)CCC[C@@H]1C)Cc1cccc(C#N)c1 ZINC000068855650 454060099 /nfs/dbraw/zinc/06/00/99/454060099.db2.gz TZTJMZYQOGHDOK-CALCHBBNSA-N 1 2 325.456 3.336 20 30 EGEDLO C[C@@H](c1cc(F)ccc1F)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000056494037 454061395 /nfs/dbraw/zinc/06/13/95/454061395.db2.gz ICSZYEBCWMXWGS-ZDUSSCGKSA-N 1 2 328.366 3.115 20 30 EGEDLO Cc1ncc(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)s1 ZINC000077185069 454071754 /nfs/dbraw/zinc/07/17/54/454071754.db2.gz FOZKXJZXPNGRKX-AWEZNQCLSA-N 1 2 342.468 3.219 20 30 EGEDLO Cc1ncc(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)s1 ZINC000077185069 454071756 /nfs/dbraw/zinc/07/17/56/454071756.db2.gz FOZKXJZXPNGRKX-AWEZNQCLSA-N 1 2 342.468 3.219 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1cccc(CC#N)c1 ZINC000045077415 454137408 /nfs/dbraw/zinc/13/74/08/454137408.db2.gz KVUUEKOPUQVKEQ-UHFFFAOYSA-N 1 2 332.407 3.231 20 30 EGEDLO N#Cc1c(F)cccc1N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000070793842 454177163 /nfs/dbraw/zinc/17/71/63/454177163.db2.gz RJVYJLWHNDCLJL-IBGZPJMESA-N 1 2 325.387 3.183 20 30 EGEDLO CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccc(Cl)s1 ZINC000046168827 454225017 /nfs/dbraw/zinc/22/50/17/454225017.db2.gz YNBSLFBIMMETTK-OAHLLOKOSA-N 1 2 327.881 3.278 20 30 EGEDLO CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccc(Cl)s1 ZINC000046168827 454225018 /nfs/dbraw/zinc/22/50/18/454225018.db2.gz YNBSLFBIMMETTK-OAHLLOKOSA-N 1 2 327.881 3.278 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cccc(C#N)c2)C[C@H](C)O1 ZINC000046340971 454241573 /nfs/dbraw/zinc/24/15/73/454241573.db2.gz GZBJYVPZWZSXLK-IYBDPMFKSA-N 1 2 349.434 3.420 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cccc(C#N)c2)C[C@H](C)O1 ZINC000046340971 454241584 /nfs/dbraw/zinc/24/15/84/454241584.db2.gz GZBJYVPZWZSXLK-IYBDPMFKSA-N 1 2 349.434 3.420 20 30 EGEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccc(N2CCOCC2)cc1 ZINC000071916332 454256937 /nfs/dbraw/zinc/25/69/37/454256937.db2.gz WHKYXOIFCOSQNU-CMDGGOBGSA-N 1 2 333.391 3.067 20 30 EGEDLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C#N)c(Cl)c2)on1 ZINC000047273734 454350988 /nfs/dbraw/zinc/35/09/88/454350988.db2.gz OXNQNMZIZXPLFE-HNNXBMFYSA-N 1 2 344.802 3.284 20 30 EGEDLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(C#N)c(Cl)c2)on1 ZINC000047273734 454350993 /nfs/dbraw/zinc/35/09/93/454350993.db2.gz OXNQNMZIZXPLFE-HNNXBMFYSA-N 1 2 344.802 3.284 20 30 EGEDLO CC(C)(C)CCNC(=O)C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000072898071 454360414 /nfs/dbraw/zinc/36/04/14/454360414.db2.gz CYWGMYCBQRISGL-ZWKOTPCHSA-N 1 2 327.472 3.311 20 30 EGEDLO CC(C)(C)CCNC(=O)C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000072898071 454360417 /nfs/dbraw/zinc/36/04/17/454360417.db2.gz CYWGMYCBQRISGL-ZWKOTPCHSA-N 1 2 327.472 3.311 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCSC(C)(C)C2)c1C#N ZINC000091071985 454376585 /nfs/dbraw/zinc/37/65/85/454376585.db2.gz BKWFQZMAMIAJSA-UHFFFAOYSA-N 1 2 326.469 3.380 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCSC(C)(C)C2)c1C#N ZINC000091071985 454376590 /nfs/dbraw/zinc/37/65/90/454376590.db2.gz BKWFQZMAMIAJSA-UHFFFAOYSA-N 1 2 326.469 3.380 20 30 EGEDLO N#CCC[C@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000132952662 454380373 /nfs/dbraw/zinc/38/03/73/454380373.db2.gz OCTLBNAFYHXDPR-KRWDZBQOSA-N 1 2 337.427 3.228 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000121031109 454380439 /nfs/dbraw/zinc/38/04/39/454380439.db2.gz GKULFGFXOSHVPP-CQSZACIVSA-N 1 2 336.505 3.330 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000121031109 454380444 /nfs/dbraw/zinc/38/04/44/454380444.db2.gz GKULFGFXOSHVPP-CQSZACIVSA-N 1 2 336.505 3.330 20 30 EGEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OC/C=C/c3ccccc3)cn2)n1 ZINC000063864075 454456837 /nfs/dbraw/zinc/45/68/37/454456837.db2.gz AIGDMTGQYLRLOP-RMKNXTFCSA-N 1 2 347.422 3.234 20 30 EGEDLO C=CC[N@@H+](Cc1cc(=O)n2cc(C)ccc2n1)Cc1ccccc1F ZINC000079899943 454495799 /nfs/dbraw/zinc/49/57/99/454495799.db2.gz AAKUWJAUEKIOOZ-UHFFFAOYSA-N 1 2 337.398 3.330 20 30 EGEDLO C=CC[N@H+](Cc1cc(=O)n2cc(C)ccc2n1)Cc1ccccc1F ZINC000079899943 454495804 /nfs/dbraw/zinc/49/58/04/454495804.db2.gz AAKUWJAUEKIOOZ-UHFFFAOYSA-N 1 2 337.398 3.330 20 30 EGEDLO C=CC[N@@H+](CCOC)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000191116758 455446626 /nfs/dbraw/zinc/44/66/26/455446626.db2.gz SVWLUTKLIAGOPN-UHFFFAOYSA-N 1 2 333.457 3.311 20 30 EGEDLO C=CC[N@H+](CCOC)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000191116758 455446631 /nfs/dbraw/zinc/44/66/31/455446631.db2.gz SVWLUTKLIAGOPN-UHFFFAOYSA-N 1 2 333.457 3.311 20 30 EGEDLO C=CC[NH+]1CCC(NC(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000080026027 454520132 /nfs/dbraw/zinc/52/01/32/454520132.db2.gz BMBLZCVBAITKOR-UHFFFAOYSA-N 1 2 329.227 3.079 20 30 EGEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1)C1CC1 ZINC000052077657 454655385 /nfs/dbraw/zinc/65/53/85/454655385.db2.gz JHMVBNMAERSGEP-SJLPKXTDSA-N 1 2 331.847 3.285 20 30 EGEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1)C1CC1 ZINC000052077657 454655389 /nfs/dbraw/zinc/65/53/89/454655389.db2.gz JHMVBNMAERSGEP-SJLPKXTDSA-N 1 2 331.847 3.285 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000052440096 454673164 /nfs/dbraw/zinc/67/31/64/454673164.db2.gz RSGHAPSEUGOYDB-UHFFFAOYSA-N 1 2 338.245 3.499 20 30 EGEDLO Cc1c2ccccc2sc1C(=O)N1CC[NH+](CCCC#N)CC1 ZINC000152626475 454702486 /nfs/dbraw/zinc/70/24/86/454702486.db2.gz FCVINHXCVNBTBA-UHFFFAOYSA-N 1 2 327.453 3.271 20 30 EGEDLO N#CCC[C@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000124186376 454704046 /nfs/dbraw/zinc/70/40/46/454704046.db2.gz BMBGNEZTHRAYJC-MSOLQXFVSA-N 1 2 349.438 3.005 20 30 EGEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000176550508 454757981 /nfs/dbraw/zinc/75/79/81/454757981.db2.gz LWLKJXUNMLPVJT-UHFFFAOYSA-N 1 2 346.390 3.355 20 30 EGEDLO CC[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)C[C@@H](C)C#N ZINC000140420251 454820365 /nfs/dbraw/zinc/82/03/65/454820365.db2.gz QJWHUFWALHXUAR-KXBFYZLASA-N 1 2 341.480 3.435 20 30 EGEDLO CC[N@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)C[C@@H](C)C#N ZINC000140420251 454820368 /nfs/dbraw/zinc/82/03/68/454820368.db2.gz QJWHUFWALHXUAR-KXBFYZLASA-N 1 2 341.480 3.435 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+](C)CCOc2ccccc2C)c(C#N)c1C ZINC000140617492 454822881 /nfs/dbraw/zinc/82/28/81/454822881.db2.gz UFBAGUWCMXJSQX-UHFFFAOYSA-N 1 2 341.411 3.026 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+](C)CCOc2ccccc2C)c(C#N)c1C ZINC000140617492 454822885 /nfs/dbraw/zinc/82/28/85/454822885.db2.gz UFBAGUWCMXJSQX-UHFFFAOYSA-N 1 2 341.411 3.026 20 30 EGEDLO N#CCC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000153761073 454829342 /nfs/dbraw/zinc/82/93/42/454829342.db2.gz PNFTXDJHOKLRKK-UHFFFAOYSA-N 1 2 330.391 3.128 20 30 EGEDLO CC(C)CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000177377031 454857401 /nfs/dbraw/zinc/85/74/01/454857401.db2.gz SHVAHKZRJMDXJZ-MRXNPFEDSA-N 1 2 349.862 3.287 20 30 EGEDLO CC(C)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000177377031 454857406 /nfs/dbraw/zinc/85/74/06/454857406.db2.gz SHVAHKZRJMDXJZ-MRXNPFEDSA-N 1 2 349.862 3.287 20 30 EGEDLO C=CCOc1ccccc1C[NH2+][C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000111374790 454862846 /nfs/dbraw/zinc/86/28/46/454862846.db2.gz FDCKNRONMYICLW-HXUWFJFHSA-N 1 2 336.435 3.361 20 30 EGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cccc(Cl)c1Cl ZINC000154764972 454927650 /nfs/dbraw/zinc/92/76/50/454927650.db2.gz SLDRIBWTFWBZQK-UHFFFAOYSA-N 1 2 342.270 3.041 20 30 EGEDLO COc1cc(Br)c(C[NH2+]CC(C)(C)C#N)cc1OC ZINC000168930146 454928899 /nfs/dbraw/zinc/92/88/99/454928899.db2.gz FPILLIQIPFXNEU-UHFFFAOYSA-N 1 2 327.222 3.106 20 30 EGEDLO Cc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000169062469 454929402 /nfs/dbraw/zinc/92/94/02/454929402.db2.gz HRVRWLDEVIUEJB-INIZCTEOSA-N 1 2 337.427 3.087 20 30 EGEDLO O=C(Nc1cccc(C#Cc2ccccc2)c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000151306107 454966044 /nfs/dbraw/zinc/96/60/44/454966044.db2.gz YGYLJDGBRBUBRC-IBGZPJMESA-N 1 2 341.414 3.484 20 30 EGEDLO Cc1nnc(-c2ccccc2NCc2c[nH+]c3ccc(C#N)cn23)o1 ZINC000127877114 455005565 /nfs/dbraw/zinc/00/55/65/455005565.db2.gz VHAZFUOQAWHNQP-UHFFFAOYSA-N 1 2 330.351 3.177 20 30 EGEDLO C=CCC(CC=C)C(=O)N(CC[NH+]1CCOCC1)c1ccccc1 ZINC000128478664 455060081 /nfs/dbraw/zinc/06/00/81/455060081.db2.gz IVVBGDTZRNJCEQ-UHFFFAOYSA-N 1 2 328.456 3.120 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1nc2ccccc2o1 ZINC000156247301 455097148 /nfs/dbraw/zinc/09/71/48/455097148.db2.gz WKFOXBZYNQXLSJ-ZDUSSCGKSA-N 1 2 334.379 3.158 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1nc2ccccc2o1 ZINC000156247301 455097149 /nfs/dbraw/zinc/09/71/49/455097149.db2.gz WKFOXBZYNQXLSJ-ZDUSSCGKSA-N 1 2 334.379 3.158 20 30 EGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000180093698 455131022 /nfs/dbraw/zinc/13/10/22/455131022.db2.gz XFAGSEQNOVVINZ-CQSZACIVSA-N 1 2 339.399 3.043 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c(C#N)c1C ZINC000156725297 455146871 /nfs/dbraw/zinc/14/68/71/455146871.db2.gz IHQACOYLAQARMS-LSDHHAIUSA-N 1 2 333.457 3.067 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c(C#N)c1C ZINC000156725297 455146874 /nfs/dbraw/zinc/14/68/74/455146874.db2.gz IHQACOYLAQARMS-LSDHHAIUSA-N 1 2 333.457 3.067 20 30 EGEDLO C[C@@H](c1cccc(NC(=O)C2(C#N)CCCCC2)c1)[NH+]1CCOCC1 ZINC000264267665 455195771 /nfs/dbraw/zinc/19/57/71/455195771.db2.gz RGOROJVBGRZEHU-INIZCTEOSA-N 1 2 341.455 3.492 20 30 EGEDLO CC(C)[N@H+](Cc1cn(Cc2cccnc2)nn1)Cc1ccc(C#N)cc1 ZINC000182992065 455205816 /nfs/dbraw/zinc/20/58/16/455205816.db2.gz WJMWGWGGAUBNIC-UHFFFAOYSA-N 1 2 346.438 3.004 20 30 EGEDLO CC(C)[N@@H+](Cc1cn(Cc2cccnc2)nn1)Cc1ccc(C#N)cc1 ZINC000182992065 455205817 /nfs/dbraw/zinc/20/58/17/455205817.db2.gz WJMWGWGGAUBNIC-UHFFFAOYSA-N 1 2 346.438 3.004 20 30 EGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Nc1ccc(F)cc1C#N)C2 ZINC000183012952 455209773 /nfs/dbraw/zinc/20/97/73/455209773.db2.gz TVIKIPOJRLNDAH-UHFFFAOYSA-N 1 2 341.390 3.144 20 30 EGEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2cccc(C(=O)N(CC)CC)c2)CC1 ZINC000264449757 455215500 /nfs/dbraw/zinc/21/55/00/455215500.db2.gz HWPJSMSPYQKCTF-MRXNPFEDSA-N 1 2 343.471 3.148 20 30 EGEDLO C=CC[C@H](C)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000265416437 455321581 /nfs/dbraw/zinc/32/15/81/455321581.db2.gz INBHAQHLXHTASU-WFASDCNBSA-N 1 2 332.835 3.427 20 30 EGEDLO CC[C@H](CC#N)[NH2+]Cc1c(Br)cc(OC)cc1OC ZINC000184094763 455352551 /nfs/dbraw/zinc/35/25/51/455352551.db2.gz CQXSLLZPJAUMLJ-SNVBAGLBSA-N 1 2 327.222 3.248 20 30 EGEDLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)cs1 ZINC000184704682 455432423 /nfs/dbraw/zinc/43/24/23/455432423.db2.gz OFKAARHRBXNZHH-SNVBAGLBSA-N 1 2 332.429 3.076 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184861731 455463147 /nfs/dbraw/zinc/46/31/47/455463147.db2.gz RBKGRFIDGFVYQC-LIRRHRJNSA-N 1 2 340.427 3.047 20 30 EGEDLO Cc1cnc([C@@H]([NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)C2CC2)s1 ZINC000185317982 455538852 /nfs/dbraw/zinc/53/88/52/455538852.db2.gz XDXRSWHIJIRPGA-HNNXBMFYSA-N 1 2 344.440 3.212 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000247237932 455577255 /nfs/dbraw/zinc/57/72/55/455577255.db2.gz AJJHTAZGFFZGSX-OWCLPIDISA-N 1 2 336.501 3.151 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000247237932 455577260 /nfs/dbraw/zinc/57/72/60/455577260.db2.gz AJJHTAZGFFZGSX-OWCLPIDISA-N 1 2 336.501 3.151 20 30 EGEDLO CC(C)(C)c1ncc(CNc2[nH+]cccc2OCCCC#N)cn1 ZINC000283814903 455598479 /nfs/dbraw/zinc/59/84/79/455598479.db2.gz JMBYWFLPHJQJHH-UHFFFAOYSA-N 1 2 325.416 3.464 20 30 EGEDLO C#CC[C@H]([NH2+]Cc1nnnn1-c1c(C)cccc1C)c1ccccc1 ZINC000271683171 455721739 /nfs/dbraw/zinc/72/17/39/455721739.db2.gz IWHCNIIYTWUMQZ-SFHVURJKSA-N 1 2 331.423 3.133 20 30 EGEDLO CCc1nocc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000293336121 455783247 /nfs/dbraw/zinc/78/32/47/455783247.db2.gz GTJRYPQHXHXSGW-NSHDSACASA-N 1 2 346.818 3.221 20 30 EGEDLO CCc1nocc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000293336121 455783253 /nfs/dbraw/zinc/78/32/53/455783253.db2.gz GTJRYPQHXHXSGW-NSHDSACASA-N 1 2 346.818 3.221 20 30 EGEDLO N#Cc1cc(Br)cnc1NCCCCNc1cccc[nH+]1 ZINC000294795074 455827425 /nfs/dbraw/zinc/82/74/25/455827425.db2.gz BTJQDFTYSHFHIF-UHFFFAOYSA-N 1 2 346.232 3.415 20 30 EGEDLO CC[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1nnc2n1CCCCC2 ZINC000269414119 455847175 /nfs/dbraw/zinc/84/71/75/455847175.db2.gz JVUKXAYHMHKBEP-INIZCTEOSA-N 1 2 327.407 3.256 20 30 EGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000278744813 455847614 /nfs/dbraw/zinc/84/76/14/455847614.db2.gz RLBRXJNERJAALL-NUEKZKHPSA-N 1 2 349.500 3.295 20 30 EGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000278744813 455847619 /nfs/dbraw/zinc/84/76/19/455847619.db2.gz RLBRXJNERJAALL-NUEKZKHPSA-N 1 2 349.500 3.295 20 30 EGEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCCC(C)(C)C#N)c2)n1 ZINC000272105673 455848704 /nfs/dbraw/zinc/84/87/04/455848704.db2.gz NPPWQCLZCAWXAV-UHFFFAOYSA-N 1 2 339.443 3.125 20 30 EGEDLO C=C(C)[C@@H](CC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1)OCC ZINC000270031235 455860660 /nfs/dbraw/zinc/86/06/60/455860660.db2.gz LMMRTWYRENGNAM-GOSISDBHSA-N 1 2 345.487 3.450 20 30 EGEDLO C[C@H]1c2cccn2CC[N@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279471467 455866045 /nfs/dbraw/zinc/86/60/45/455866045.db2.gz VPFYBNMDTMGLEJ-INIZCTEOSA-N 1 2 346.438 3.237 20 30 EGEDLO C[C@H]1c2cccn2CC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279471467 455866047 /nfs/dbraw/zinc/86/60/47/455866047.db2.gz VPFYBNMDTMGLEJ-INIZCTEOSA-N 1 2 346.438 3.237 20 30 EGEDLO COC(=O)c1ccc(CNc2[nH+]cccc2OCCCC#N)cc1 ZINC000187961167 455973841 /nfs/dbraw/zinc/97/38/41/455973841.db2.gz DJFVZYNPKNJHRY-UHFFFAOYSA-N 1 2 325.368 3.163 20 30 EGEDLO C=C(Br)C[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F ZINC000280531276 455990748 /nfs/dbraw/zinc/99/07/48/455990748.db2.gz OXWWFRQGLCUDGA-JTQLQIEISA-N 1 2 340.139 3.117 20 30 EGEDLO C[N@@H+](Cc1cn2ccccc2c1C#N)C[C@H]1COc2ccccc2O1 ZINC000198699088 456011971 /nfs/dbraw/zinc/01/19/71/456011971.db2.gz PYTRGBRZJBPCRM-INIZCTEOSA-N 1 2 333.391 3.083 20 30 EGEDLO C[N@H+](Cc1cn2ccccc2c1C#N)C[C@H]1COc2ccccc2O1 ZINC000198699088 456011975 /nfs/dbraw/zinc/01/19/75/456011975.db2.gz PYTRGBRZJBPCRM-INIZCTEOSA-N 1 2 333.391 3.083 20 30 EGEDLO C=CCCO[C@@H](C)c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000272672416 456034883 /nfs/dbraw/zinc/03/48/83/456034883.db2.gz QODNFPWFIJOZOF-RDJZCZTQSA-N 1 2 343.427 3.297 20 30 EGEDLO C=CCCO[C@@H](C)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000272672416 456034886 /nfs/dbraw/zinc/03/48/86/456034886.db2.gz QODNFPWFIJOZOF-RDJZCZTQSA-N 1 2 343.427 3.297 20 30 EGEDLO Cc1ccc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c(C)[nH+]1 ZINC000287611261 456074164 /nfs/dbraw/zinc/07/41/64/456074164.db2.gz YTZUQFXFAIYLGO-OAHLLOKOSA-N 1 2 338.386 3.174 20 30 EGEDLO CC[N@H+](Cc1ccncc1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000270996443 456091233 /nfs/dbraw/zinc/09/12/33/456091233.db2.gz JIDBXEHJWHYWEV-CYBMUJFWSA-N 1 2 326.400 3.012 20 30 EGEDLO CC[N@@H+](Cc1ccncc1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000270996443 456091235 /nfs/dbraw/zinc/09/12/35/456091235.db2.gz JIDBXEHJWHYWEV-CYBMUJFWSA-N 1 2 326.400 3.012 20 30 EGEDLO C=C(C)[C@H]1OCC[C@H]1c1nc(Cn2c(CC)[nH+]c3ccccc32)no1 ZINC000288954458 456109683 /nfs/dbraw/zinc/10/96/83/456109683.db2.gz BHNPYECHOYHUCE-FZKQIMNGSA-N 1 2 338.411 3.479 20 30 EGEDLO C=CCOc1ccccc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000288970920 456110543 /nfs/dbraw/zinc/11/05/43/456110543.db2.gz BHDQSJFTCLCCLC-RHSMWYFYSA-N 1 2 341.411 3.227 20 30 EGEDLO C=CCOc1ccccc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000288970920 456110546 /nfs/dbraw/zinc/11/05/46/456110546.db2.gz BHDQSJFTCLCCLC-RHSMWYFYSA-N 1 2 341.411 3.227 20 30 EGEDLO CC1(C)C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1[C@@H]1CCCO1 ZINC000289701391 456137266 /nfs/dbraw/zinc/13/72/66/456137266.db2.gz IOJUVZSLYOLDHP-RDJZCZTQSA-N 1 2 347.846 3.040 20 30 EGEDLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1[C@@H]1CCCO1 ZINC000289701391 456137272 /nfs/dbraw/zinc/13/72/72/456137272.db2.gz IOJUVZSLYOLDHP-RDJZCZTQSA-N 1 2 347.846 3.040 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCOCC3(CCC3)C2)c1C#N ZINC000612746501 460716826 /nfs/dbraw/zinc/71/68/26/460716826.db2.gz QCBCRAWOTDBGKP-UHFFFAOYSA-N 1 2 336.439 3.055 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCOCC3(CCC3)C2)c1C#N ZINC000612746501 460716831 /nfs/dbraw/zinc/71/68/31/460716831.db2.gz QCBCRAWOTDBGKP-UHFFFAOYSA-N 1 2 336.439 3.055 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2coc(-c3cccc(Cl)c3)n2)C1=O ZINC000281211000 456166313 /nfs/dbraw/zinc/16/63/13/456166313.db2.gz DEMORGSNSRWIBW-MRXNPFEDSA-N 1 2 345.830 3.214 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2coc(-c3cccc(Cl)c3)n2)C1=O ZINC000281211000 456166318 /nfs/dbraw/zinc/16/63/18/456166318.db2.gz DEMORGSNSRWIBW-MRXNPFEDSA-N 1 2 345.830 3.214 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)[C@@]1(C#N)CC13CCCC3)C2 ZINC000333171814 456172580 /nfs/dbraw/zinc/17/25/80/456172580.db2.gz KLNJZBQDLJOWKM-VLIAUNLRSA-N 1 2 340.471 3.086 20 30 EGEDLO CC(C)(C#N)c1ccc(NC(=O)NCc2cn3c([nH+]2)CCCC3)cc1 ZINC000263745884 456210599 /nfs/dbraw/zinc/21/05/99/456210599.db2.gz JAPAPXSOYBYZNL-UHFFFAOYSA-N 1 2 337.427 3.342 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000273536160 456237963 /nfs/dbraw/zinc/23/79/63/456237963.db2.gz UTEMAYGBXBVBFH-SJORKVTESA-N 1 2 334.460 3.172 20 30 EGEDLO C[N@@H+]1CCO[C@H]([C@@H](Nc2ncccc2C#N)c2ccc(Cl)cc2)C1 ZINC000301880967 456240669 /nfs/dbraw/zinc/24/06/69/456240669.db2.gz KCHRYRCNJLPXCM-IRXDYDNUSA-N 1 2 342.830 3.090 20 30 EGEDLO C[N@H+]1CCO[C@H]([C@@H](Nc2ncccc2C#N)c2ccc(Cl)cc2)C1 ZINC000301880967 456240676 /nfs/dbraw/zinc/24/06/76/456240676.db2.gz KCHRYRCNJLPXCM-IRXDYDNUSA-N 1 2 342.830 3.090 20 30 EGEDLO CC(C)Oc1cc[nH+]cc1COC(=O)Cc1cccc(OCC#N)c1 ZINC000290135588 456249499 /nfs/dbraw/zinc/24/94/99/456249499.db2.gz HKUDVOMJKRPPFS-UHFFFAOYSA-N 1 2 340.379 3.057 20 30 EGEDLO CN(C(=O)c1ccc(CC#N)cc1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352781270 456300306 /nfs/dbraw/zinc/30/03/06/456300306.db2.gz XYPDXBIBNMIXEV-GOSISDBHSA-N 1 2 330.391 3.337 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)Cc1ccc(CO)o1 ZINC000352803713 456323812 /nfs/dbraw/zinc/32/38/12/456323812.db2.gz ZDGZOSAUBQQRQP-INIZCTEOSA-N 1 2 336.476 3.043 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)Cc1ccc(CO)o1 ZINC000352803713 456323817 /nfs/dbraw/zinc/32/38/17/456323817.db2.gz ZDGZOSAUBQQRQP-INIZCTEOSA-N 1 2 336.476 3.043 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(F)cc3F)CC2)c(F)c1 ZINC000352805517 456325762 /nfs/dbraw/zinc/32/57/62/456325762.db2.gz SLLOGRMUQUDLDI-UHFFFAOYSA-N 1 2 331.341 3.298 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)c2ccccc2Br)C1=O ZINC000337128157 456327705 /nfs/dbraw/zinc/32/77/05/456327705.db2.gz HOFSTIRIYINFIO-DOMZBBRYSA-N 1 2 337.261 3.229 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)c2ccccc2Br)C1=O ZINC000337128157 456327698 /nfs/dbraw/zinc/32/76/98/456327698.db2.gz HOFSTIRIYINFIO-DOMZBBRYSA-N 1 2 337.261 3.229 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N1CCC(C)CC1 ZINC000352900258 456399564 /nfs/dbraw/zinc/39/95/64/456399564.db2.gz GJDSEWJZAWXIRP-GOSISDBHSA-N 1 2 346.519 3.489 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N1CCC(C)CC1 ZINC000352900258 456399571 /nfs/dbraw/zinc/39/95/71/456399571.db2.gz GJDSEWJZAWXIRP-GOSISDBHSA-N 1 2 346.519 3.489 20 30 EGEDLO C=C[C@@](C)(CC)c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000276212129 456414822 /nfs/dbraw/zinc/41/48/22/456414822.db2.gz PIGQEFJAWZKORW-LPHOPBHVSA-N 1 2 327.428 3.497 20 30 EGEDLO C=C[C@@](C)(CC)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000276212129 456414826 /nfs/dbraw/zinc/41/48/26/456414826.db2.gz PIGQEFJAWZKORW-LPHOPBHVSA-N 1 2 327.428 3.497 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](COC(F)F)C2)c1C ZINC000353007953 456441562 /nfs/dbraw/zinc/44/15/62/456441562.db2.gz LWYRPYKYODWSHW-AWEZNQCLSA-N 1 2 326.387 3.035 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](COC(F)F)C2)c1C ZINC000353007953 456441573 /nfs/dbraw/zinc/44/15/73/456441573.db2.gz LWYRPYKYODWSHW-AWEZNQCLSA-N 1 2 326.387 3.035 20 30 EGEDLO C=CC[N@@H+](CC(=O)N[C@@H](C)c1cccs1)Cc1cccc(C#N)c1 ZINC000299289277 456649665 /nfs/dbraw/zinc/64/96/65/456649665.db2.gz CMYQADVUKQWBPG-HNNXBMFYSA-N 1 2 339.464 3.485 20 30 EGEDLO C=CC[N@H+](CC(=O)N[C@@H](C)c1cccs1)Cc1cccc(C#N)c1 ZINC000299289277 456649672 /nfs/dbraw/zinc/64/96/72/456649672.db2.gz CMYQADVUKQWBPG-HNNXBMFYSA-N 1 2 339.464 3.485 20 30 EGEDLO N#Cc1ccc(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1F ZINC000353536331 456742208 /nfs/dbraw/zinc/74/22/08/456742208.db2.gz AHKWZMYFMBZUFZ-UHFFFAOYSA-N 1 2 349.369 3.264 20 30 EGEDLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000348550594 456761959 /nfs/dbraw/zinc/76/19/59/456761959.db2.gz GGKWZTBYWOEIPT-UHFFFAOYSA-N 1 2 327.472 3.359 20 30 EGEDLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000348550594 456761962 /nfs/dbraw/zinc/76/19/62/456761962.db2.gz GGKWZTBYWOEIPT-UHFFFAOYSA-N 1 2 327.472 3.359 20 30 EGEDLO C=C(C)[C@H](Nc1cc(N2CCOCC2)nc[nH+]1)c1ccc(F)c(F)c1 ZINC000277286592 456762288 /nfs/dbraw/zinc/76/22/88/456762288.db2.gz BBIFALICIKYJIV-SFHVURJKSA-N 1 2 346.381 3.321 20 30 EGEDLO C=C(C)[C@H](Nc1cc(N2CCOCC2)[nH+]cn1)c1ccc(F)c(F)c1 ZINC000277286592 456762292 /nfs/dbraw/zinc/76/22/92/456762292.db2.gz BBIFALICIKYJIV-SFHVURJKSA-N 1 2 346.381 3.321 20 30 EGEDLO O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)NC1(c2ccccc2)CCC1 ZINC000328833371 456770380 /nfs/dbraw/zinc/77/03/80/456770380.db2.gz RUJAIQXAXRQJPA-HZPDHXFCSA-N 1 2 327.428 3.073 20 30 EGEDLO O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)NC1(c2ccccc2)CCC1 ZINC000328833371 456770390 /nfs/dbraw/zinc/77/03/90/456770390.db2.gz RUJAIQXAXRQJPA-HZPDHXFCSA-N 1 2 327.428 3.073 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000328884094 456784177 /nfs/dbraw/zinc/78/41/77/456784177.db2.gz YJPHSXRJFMCLLJ-YLFCFFPRSA-N 1 2 330.476 3.482 20 30 EGEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)C[C@@H]1n1cc[nH+]c1 ZINC000328930548 456793935 /nfs/dbraw/zinc/79/39/35/456793935.db2.gz HMTMLEBSJKLKTO-NCOADZHNSA-N 1 2 348.491 3.274 20 30 EGEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCO[C@H](C(C)(C)C)C2)C[C@@H]1n1cc[nH+]c1 ZINC000328930548 456793943 /nfs/dbraw/zinc/79/39/43/456793943.db2.gz HMTMLEBSJKLKTO-NCOADZHNSA-N 1 2 348.491 3.274 20 30 EGEDLO CC(=O)N1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@@H]2C)CC12CCCCC2 ZINC000329024240 456816878 /nfs/dbraw/zinc/81/68/78/456816878.db2.gz JAKYWJPKHUCTGB-FUHWJXTLSA-N 1 2 349.519 3.389 20 30 EGEDLO CC(=O)N1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@@H]2C)CC12CCCCC2 ZINC000329024240 456816882 /nfs/dbraw/zinc/81/68/82/456816882.db2.gz JAKYWJPKHUCTGB-FUHWJXTLSA-N 1 2 349.519 3.389 20 30 EGEDLO N#Cc1ccc(CC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000341239328 456825490 /nfs/dbraw/zinc/82/54/90/456825490.db2.gz KWJOWILWMKJTBO-UHFFFAOYSA-N 1 2 336.439 3.016 20 30 EGEDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@H]1CC12CCCCC2 ZINC000329094728 456833289 /nfs/dbraw/zinc/83/32/89/456833289.db2.gz BCLDQVMARVEYRW-NSHDSACASA-N 1 2 330.354 3.172 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)[C@H]1C[C@@H]1C(F)F)C1CCOCC1 ZINC000329098527 456833698 /nfs/dbraw/zinc/83/36/98/456833698.db2.gz YVJACEBJEHKRCA-RWMBFGLXSA-N 1 2 327.375 3.228 20 30 EGEDLO O=C(Nc1nc(C2CCOCC2)cs1)[C@H]1CCn2cc[nH+]c2C1 ZINC000329172993 456847812 /nfs/dbraw/zinc/84/78/12/456847812.db2.gz AKTOXYFXBUGYIT-LBPRGKRZSA-N 1 2 332.429 3.084 20 30 EGEDLO COc1cc(N2CC[NH+](Cc3cc(C#N)ccc3F)CC2)ccc1F ZINC000338637888 456848641 /nfs/dbraw/zinc/84/86/41/456848641.db2.gz YBKDXXNQEFQWKP-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO CC(C)[C@@H]1CCCCN1C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329265750 456864165 /nfs/dbraw/zinc/86/41/65/456864165.db2.gz CLZLDGLJTMELMR-DLBZAZTESA-N 1 2 348.491 3.312 20 30 EGEDLO Cc1c(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cnn1C1CCCCC1 ZINC000329296830 456868372 /nfs/dbraw/zinc/86/83/72/456868372.db2.gz KOYDTMUWZALQPN-ZDUSSCGKSA-N 1 2 327.432 3.282 20 30 EGEDLO Cc1c(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cnn1C1CCCCC1 ZINC000329296830 456868379 /nfs/dbraw/zinc/86/83/79/456868379.db2.gz KOYDTMUWZALQPN-ZDUSSCGKSA-N 1 2 327.432 3.282 20 30 EGEDLO Cc1cccc2c1OCC[C@H]2NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329343263 456876675 /nfs/dbraw/zinc/87/66/75/456876675.db2.gz PZEUHLAKLDACEA-MSOLQXFVSA-N 1 2 344.455 3.419 20 30 EGEDLO Cc1cccc2c1OCC[C@H]2NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329343263 456876678 /nfs/dbraw/zinc/87/66/78/456876678.db2.gz PZEUHLAKLDACEA-MSOLQXFVSA-N 1 2 344.455 3.419 20 30 EGEDLO O=C(N[C@@H]1CC[C@H](F)C1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000329396309 456884090 /nfs/dbraw/zinc/88/40/90/456884090.db2.gz XLCJBWCHJFCORM-LSDHHAIUSA-N 1 2 334.439 3.203 20 30 EGEDLO CCn1c2cc(F)ccc2nc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000329466598 456895273 /nfs/dbraw/zinc/89/52/73/456895273.db2.gz WBCLJJVUNWBROS-NSHDSACASA-N 1 2 327.363 3.242 20 30 EGEDLO O=C(N[C@H]1CCCOc2cc(F)ccc21)C1([NH+]2CCOCC2)CCC1 ZINC000329484686 456897926 /nfs/dbraw/zinc/89/79/26/456897926.db2.gz WVGHLLGGLCLLCC-INIZCTEOSA-N 1 2 348.418 3.251 20 30 EGEDLO Cc1ccc(NC(=O)C[NH+]2CCC(c3cnn(C)c3)CC2)c(F)c1 ZINC000329509071 456902415 /nfs/dbraw/zinc/90/24/15/456902415.db2.gz MEBVOJHBNUJDBM-UHFFFAOYSA-N 1 2 330.407 3.335 20 30 EGEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCCc2occc2C1 ZINC000329679661 456925977 /nfs/dbraw/zinc/92/59/77/456925977.db2.gz XNCMEYZYWNJHTQ-HIFRSBDPSA-N 1 2 333.432 3.477 20 30 EGEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCCc2occc2C1 ZINC000329679661 456925981 /nfs/dbraw/zinc/92/59/81/456925981.db2.gz XNCMEYZYWNJHTQ-HIFRSBDPSA-N 1 2 333.432 3.477 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc(C#N)cc1 ZINC000353831656 456927415 /nfs/dbraw/zinc/92/74/15/456927415.db2.gz YTYHKWCZHKSNPQ-UHFFFAOYSA-N 1 2 326.306 3.133 20 30 EGEDLO C[C@@H]1Sc2ccc(C(=O)N[C@@H]3CCc4[nH+]c[nH]c4C3)cc2NC1=O ZINC000329736963 456933546 /nfs/dbraw/zinc/93/35/46/456933546.db2.gz SUMNKICNQJXRPG-GXSJLCMTSA-N 1 2 342.424 3.354 20 30 EGEDLO C[C@@H]1Sc2ccc(C(=O)N[C@@H]3CCc4[nH]c[nH+]c4C3)cc2NC1=O ZINC000329736963 456933554 /nfs/dbraw/zinc/93/35/54/456933554.db2.gz SUMNKICNQJXRPG-GXSJLCMTSA-N 1 2 342.424 3.354 20 30 EGEDLO CCc1nnc(C)cc1C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329778628 456939350 /nfs/dbraw/zinc/93/93/50/456939350.db2.gz LHJYLNYFXYPPHW-ZDUSSCGKSA-N 1 2 341.459 3.161 20 30 EGEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(C(=O)c3cc4ccccc4s3)CC2)C1 ZINC000339138040 456958726 /nfs/dbraw/zinc/95/87/26/456958726.db2.gz YMRIRLOUGXTSLT-HOCLYGCPSA-N 1 2 339.464 3.351 20 30 EGEDLO Cc1nc2ccc(C(=O)N[C@@H]3CCO[C@@H](c4c[nH+]cn4C)C3)cc2o1 ZINC000329981842 456969975 /nfs/dbraw/zinc/96/99/75/456969975.db2.gz OARNFMJWOMVECZ-CXAGYDPISA-N 1 2 340.383 3.095 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CCCc3ccc(F)cc32)C1 ZINC000329996606 456971286 /nfs/dbraw/zinc/97/12/86/456971286.db2.gz PEOWNPQRPXOCIQ-RHSMWYFYSA-N 1 2 342.418 3.340 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N[C@H](CCC#N)c1ccccc1)C1CC1 ZINC000345568568 456983454 /nfs/dbraw/zinc/98/34/54/456983454.db2.gz CTNBHECEKKZHSO-SJORKVTESA-N 1 2 337.427 3.215 20 30 EGEDLO CC1(C)CCC[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000339204222 456991395 /nfs/dbraw/zinc/99/13/95/456991395.db2.gz MZMWDKBAOFYTEV-LJQANCHMSA-N 1 2 339.483 3.419 20 30 EGEDLO Cc1ccccc1C1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330193104 456999994 /nfs/dbraw/zinc/99/99/94/456999994.db2.gz OBCYBQNLYJADFD-QGZVFWFLSA-N 1 2 338.455 3.300 20 30 EGEDLO Cc1[nH+]ccn1C[C@H](C)CNC([O-])=[NH+][C@H]1CCOC2(CCCCC2)C1 ZINC000330234420 457009031 /nfs/dbraw/zinc/00/90/31/457009031.db2.gz SQKMWMABGHCLIZ-WBVHZDCISA-N 1 2 348.491 3.213 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000330266965 457017671 /nfs/dbraw/zinc/01/76/71/457017671.db2.gz HWVMJGBKJNEDSV-IXDOHACOSA-N 1 2 346.475 3.302 20 30 EGEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)NC2CCC(C)(C)CC2)CCO1 ZINC000330324086 457028186 /nfs/dbraw/zinc/02/81/86/457028186.db2.gz ICXBKKUFTFVEFN-HOCLYGCPSA-N 1 2 334.464 3.113 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(C(F)F)CC1 ZINC000362724057 457062334 /nfs/dbraw/zinc/06/23/34/457062334.db2.gz ABMPGCDMCVNOKS-UHFFFAOYSA-N 1 2 327.762 3.127 20 30 EGEDLO Cc1ccc(NC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1OC(C)C ZINC000331175172 457141790 /nfs/dbraw/zinc/14/17/90/457141790.db2.gz VMMHZAJEHZXPLD-UHFFFAOYSA-N 1 2 349.475 3.219 20 30 EGEDLO C=C(C)[C@H](CC(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1)OCC ZINC000339607858 457171049 /nfs/dbraw/zinc/17/10/49/457171049.db2.gz MCZZSVNPIZSZHY-LPHOPBHVSA-N 1 2 348.462 3.402 20 30 EGEDLO CCN(CC)c1ccc(CNC(=O)[C@@H](C)c2cccc(C#N)c2)c[nH+]1 ZINC000360007218 457199848 /nfs/dbraw/zinc/19/98/48/457199848.db2.gz PGQMNQOOYGISFX-HNNXBMFYSA-N 1 2 336.439 3.219 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCO[C@H](C(C)C)C1 ZINC000351205072 457240523 /nfs/dbraw/zinc/24/05/23/457240523.db2.gz QXDZAIARLVDJPT-RDJZCZTQSA-N 1 2 336.501 3.008 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000351205072 457240525 /nfs/dbraw/zinc/24/05/25/457240525.db2.gz QXDZAIARLVDJPT-RDJZCZTQSA-N 1 2 336.501 3.008 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1C ZINC000351966955 457326424 /nfs/dbraw/zinc/32/64/24/457326424.db2.gz GWGROIIDILIVHV-MOPGFXCFSA-N 1 2 330.472 3.363 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1C ZINC000351966955 457326429 /nfs/dbraw/zinc/32/64/29/457326429.db2.gz GWGROIIDILIVHV-MOPGFXCFSA-N 1 2 330.472 3.363 20 30 EGEDLO COc1ccc(-c2ccc(C[N@H+](C)C[C@@H](C)C#N)o2)c([N+](=O)[O-])c1 ZINC000352103090 457337613 /nfs/dbraw/zinc/33/76/13/457337613.db2.gz YDOYCCNGDURAOK-LBPRGKRZSA-N 1 2 329.356 3.455 20 30 EGEDLO COc1ccc(-c2ccc(C[N@@H+](C)C[C@@H](C)C#N)o2)c([N+](=O)[O-])c1 ZINC000352103090 457337617 /nfs/dbraw/zinc/33/76/17/457337617.db2.gz YDOYCCNGDURAOK-LBPRGKRZSA-N 1 2 329.356 3.455 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ccc(C3(C#N)CC3)cc1)CCC2 ZINC000360755501 457338726 /nfs/dbraw/zinc/33/87/26/457338726.db2.gz MRHXHXRWILUPRG-INIZCTEOSA-N 1 2 334.423 3.054 20 30 EGEDLO C=CCN(Cc1ccccc1)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000378243659 457384875 /nfs/dbraw/zinc/38/48/75/457384875.db2.gz SKXFOAOBGZVXNZ-GOSISDBHSA-N 1 2 338.455 3.467 20 30 EGEDLO N#CC1(F)CC[NH+](Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000352458468 457385132 /nfs/dbraw/zinc/38/51/32/457385132.db2.gz KXUFMRNUWUFGMV-UHFFFAOYSA-N 1 2 329.419 3.140 20 30 EGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000355701271 457404128 /nfs/dbraw/zinc/40/41/28/457404128.db2.gz HPEMHXGLKOUBID-OLZOCXBDSA-N 1 2 342.892 3.073 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000355701271 457404134 /nfs/dbraw/zinc/40/41/34/457404134.db2.gz HPEMHXGLKOUBID-OLZOCXBDSA-N 1 2 342.892 3.073 20 30 EGEDLO Cc1cc(N2CCC(NC(=O)Nc3ccccc3)CC2)c(C#N)c[nH+]1 ZINC000425213762 457463572 /nfs/dbraw/zinc/46/35/72/457463572.db2.gz ICIHSEFOHUGFKU-UHFFFAOYSA-N 1 2 335.411 3.052 20 30 EGEDLO Cn1c2ccccc2[nH+]c1CCN1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000363934263 457464725 /nfs/dbraw/zinc/46/47/25/457464725.db2.gz WTYOMUMIZAGIFD-ICSRJNTNSA-N 1 2 338.455 3.043 20 30 EGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(c2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000425246253 457471732 /nfs/dbraw/zinc/47/17/32/457471732.db2.gz VSAIAIQWIYTEIO-ZDUSSCGKSA-N 1 2 342.424 3.411 20 30 EGEDLO C=CCCC1(C(=O)N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)CC1 ZINC000356329741 457575704 /nfs/dbraw/zinc/57/57/04/457575704.db2.gz ZBKRDNKXKQTEQR-MRXNPFEDSA-N 1 2 348.512 3.326 20 30 EGEDLO COc1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1F ZINC000374389009 457609599 /nfs/dbraw/zinc/60/95/99/457609599.db2.gz TUUFOSHDDIZMEN-IBGZPJMESA-N 1 2 326.371 3.279 20 30 EGEDLO COc1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1F ZINC000374389009 457609601 /nfs/dbraw/zinc/60/96/01/457609601.db2.gz TUUFOSHDDIZMEN-IBGZPJMESA-N 1 2 326.371 3.279 20 30 EGEDLO C=CC[N@@H+](Cc1cn(-c2ccccc2Br)nn1)C1CC1 ZINC000356418868 457615646 /nfs/dbraw/zinc/61/56/46/457615646.db2.gz RGILESXXCKXJJI-UHFFFAOYSA-N 1 2 333.233 3.180 20 30 EGEDLO C=CC[N@H+](Cc1cn(-c2ccccc2Br)nn1)C1CC1 ZINC000356418868 457615650 /nfs/dbraw/zinc/61/56/50/457615650.db2.gz RGILESXXCKXJJI-UHFFFAOYSA-N 1 2 333.233 3.180 20 30 EGEDLO C=C(C)[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)c(F)c1 ZINC000364916585 457717631 /nfs/dbraw/zinc/71/76/31/457717631.db2.gz ODIRVCLIRJEDRS-CXAGYDPISA-N 1 2 331.366 3.157 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](OCC3CC3)C2)c(C#N)c1C ZINC000375310952 457875765 /nfs/dbraw/zinc/87/57/65/457875765.db2.gz UPUWFTPVVUTFBX-HNNXBMFYSA-N 1 2 347.484 3.066 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](OCC3CC3)C2)c(C#N)c1C ZINC000375310952 457875771 /nfs/dbraw/zinc/87/57/71/457875771.db2.gz UPUWFTPVVUTFBX-HNNXBMFYSA-N 1 2 347.484 3.066 20 30 EGEDLO COc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1OC ZINC000371464025 457944734 /nfs/dbraw/zinc/94/47/34/457944734.db2.gz NMUIYLPILOHFDZ-LJQANCHMSA-N 1 2 338.407 3.149 20 30 EGEDLO COc1cccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1OC ZINC000371464025 457944738 /nfs/dbraw/zinc/94/47/38/457944738.db2.gz NMUIYLPILOHFDZ-LJQANCHMSA-N 1 2 338.407 3.149 20 30 EGEDLO C=CCN(CCOC)C(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000361941325 457969714 /nfs/dbraw/zinc/96/97/14/457969714.db2.gz YKSIIARDPSSJKM-MRXNPFEDSA-N 1 2 346.475 3.435 20 30 EGEDLO N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428003388 458065531 /nfs/dbraw/zinc/06/55/31/458065531.db2.gz BPEXXANXFXNJKK-INIZCTEOSA-N 1 2 342.402 3.167 20 30 EGEDLO C=CCSc1ccccc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000362405953 458158549 /nfs/dbraw/zinc/15/85/49/458158549.db2.gz YFTYPCRVRLVMCM-HNNXBMFYSA-N 1 2 339.464 3.368 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000362480504 458207015 /nfs/dbraw/zinc/20/70/15/458207015.db2.gz AGXQGVOJWDGGPX-INIZCTEOSA-N 1 2 343.446 3.313 20 30 EGEDLO CC1(C)C[N@H+](CCCOc2cccc(C#N)c2)C[C@@H](C(F)(F)F)O1 ZINC000428940982 458236562 /nfs/dbraw/zinc/23/65/62/458236562.db2.gz SSYMOOLYINTZOX-HNNXBMFYSA-N 1 2 342.361 3.369 20 30 EGEDLO CC1(C)C[N@@H+](CCCOc2cccc(C#N)c2)C[C@@H](C(F)(F)F)O1 ZINC000428940982 458236568 /nfs/dbraw/zinc/23/65/68/458236568.db2.gz SSYMOOLYINTZOX-HNNXBMFYSA-N 1 2 342.361 3.369 20 30 EGEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc(Oc2ccccc2)c1 ZINC000414170542 458316048 /nfs/dbraw/zinc/31/60/48/458316048.db2.gz WHOSPWQHHPKRAZ-INIZCTEOSA-N 1 2 326.396 3.064 20 30 EGEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc(Oc2ccccc2)c1 ZINC000414170542 458316051 /nfs/dbraw/zinc/31/60/51/458316051.db2.gz WHOSPWQHHPKRAZ-INIZCTEOSA-N 1 2 326.396 3.064 20 30 EGEDLO Cc1cc[nH+]c(C)c1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000376673067 458365523 /nfs/dbraw/zinc/36/55/23/458365523.db2.gz NVTAHUVLEWABBQ-KRWDZBQOSA-N 1 2 336.395 3.176 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(F)cc1I ZINC000417990693 458369498 /nfs/dbraw/zinc/36/94/98/458369498.db2.gz MNRPXEAHRTTZFD-NSHDSACASA-N 1 2 332.160 3.212 20 30 EGEDLO COc1ccc(C[NH2+]CC2(C#N)CCC2)c(OCc2cccnc2)c1 ZINC000418145508 458372791 /nfs/dbraw/zinc/37/27/91/458372791.db2.gz YGURUPXMUVHQDF-UHFFFAOYSA-N 1 2 337.423 3.453 20 30 EGEDLO CC[N@H+](CCCNC(=O)[C@@]1(C#N)CC12CCCC2)c1ccccc1 ZINC000448603237 458402723 /nfs/dbraw/zinc/40/27/23/458402723.db2.gz HYFIZWYDZIDYEN-FQEVSTJZSA-N 1 2 325.456 3.493 20 30 EGEDLO CC[N@@H+](CCCNC(=O)[C@@]1(C#N)CC12CCCC2)c1ccccc1 ZINC000448603237 458402728 /nfs/dbraw/zinc/40/27/28/458402728.db2.gz HYFIZWYDZIDYEN-FQEVSTJZSA-N 1 2 325.456 3.493 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420949303 458403917 /nfs/dbraw/zinc/40/39/17/458403917.db2.gz ORHCYKNMTRTHCM-DZGCQCFKSA-N 1 2 340.345 3.437 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420949303 458403921 /nfs/dbraw/zinc/40/39/21/458403921.db2.gz ORHCYKNMTRTHCM-DZGCQCFKSA-N 1 2 340.345 3.437 20 30 EGEDLO C=CCOc1cc(OC)ccc1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421576728 458417237 /nfs/dbraw/zinc/41/72/37/458417237.db2.gz NEKPGUNWYULMRX-UHFFFAOYSA-N 1 2 326.396 3.202 20 30 EGEDLO COc1cc(F)cc(C[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC000449011308 458418660 /nfs/dbraw/zinc/41/86/60/458418660.db2.gz YVTXGYCERMYMEG-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@]2(C#N)C[C@H]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450408267 458446983 /nfs/dbraw/zinc/44/69/83/458446983.db2.gz SMXJGLHSIOENBU-AKDPKCQSSA-N 1 2 349.837 3.280 20 30 EGEDLO CC[N@H+]1CC[C@H](NC(=O)[C@]2(C#N)C[C@H]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450408267 458446988 /nfs/dbraw/zinc/44/69/88/458446988.db2.gz SMXJGLHSIOENBU-AKDPKCQSSA-N 1 2 349.837 3.280 20 30 EGEDLO O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CCn2c[nH+]cc2C1 ZINC000377730669 458512176 /nfs/dbraw/zinc/51/21/76/458512176.db2.gz ZYGRRKWZGMPVHY-UHFFFAOYSA-N 1 2 342.402 3.331 20 30 EGEDLO C=CC[N@H+](Cc1cccn1C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000438278006 458554613 /nfs/dbraw/zinc/55/46/13/458554613.db2.gz DFVFXMRGLODCQI-IBGZPJMESA-N 1 2 326.440 3.188 20 30 EGEDLO C=CC[N@@H+](Cc1cccn1C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000438278006 458554619 /nfs/dbraw/zinc/55/46/19/458554619.db2.gz DFVFXMRGLODCQI-IBGZPJMESA-N 1 2 326.440 3.188 20 30 EGEDLO C=CCn1cc(C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)nn1 ZINC000424175988 458577194 /nfs/dbraw/zinc/57/71/94/458577194.db2.gz WLAPRVXMYWQFCN-UHFFFAOYSA-N 1 2 332.835 3.196 20 30 EGEDLO C=CCOc1ccc(CNC(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000455044201 458583292 /nfs/dbraw/zinc/58/32/92/458583292.db2.gz LMLIBTWSLQLTBQ-UHFFFAOYSA-N 1 2 325.412 3.263 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)Nc1cccc(C)c1C)Cc1ccc(CO)o1 ZINC000512227039 458784096 /nfs/dbraw/zinc/78/40/96/458784096.db2.gz KULXLFSUYXONRC-UHFFFAOYSA-N 1 2 342.439 3.406 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)Nc1cccc(C)c1C)Cc1ccc(CO)o1 ZINC000512227039 458784100 /nfs/dbraw/zinc/78/41/00/458784100.db2.gz KULXLFSUYXONRC-UHFFFAOYSA-N 1 2 342.439 3.406 20 30 EGEDLO CC[N@H+](CC#Cc1ccc(Cl)cc1)CC(=O)N1CCCCCC1 ZINC000513204052 458791350 /nfs/dbraw/zinc/79/13/50/458791350.db2.gz BWFSGNGLESNJFH-UHFFFAOYSA-N 1 2 332.875 3.416 20 30 EGEDLO CC[N@@H+](CC#Cc1ccc(Cl)cc1)CC(=O)N1CCCCCC1 ZINC000513204052 458791372 /nfs/dbraw/zinc/79/13/72/458791372.db2.gz BWFSGNGLESNJFH-UHFFFAOYSA-N 1 2 332.875 3.416 20 30 EGEDLO C=C[C@@H]1CCCCN1C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000495179397 458807452 /nfs/dbraw/zinc/80/74/52/458807452.db2.gz BSLHXQYWYCJAIA-CJNGLKHVSA-N 1 2 337.414 3.318 20 30 EGEDLO Cc1ccc(-c2ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(F)c2)cc1 ZINC000515852050 458813213 /nfs/dbraw/zinc/81/32/13/458813213.db2.gz MPRWXQKXGSRMAM-FQEVSTJZSA-N 1 2 339.414 3.375 20 30 EGEDLO C=CCC[C@@H]([NH2+]Cc1nnn(CC(F)(F)F)n1)c1ccccc1 ZINC000440600899 458830548 /nfs/dbraw/zinc/83/05/48/458830548.db2.gz RZHSHPVLXDLYOM-CYBMUJFWSA-N 1 2 325.338 3.033 20 30 EGEDLO C=CCCCCNC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000474086098 458860680 /nfs/dbraw/zinc/86/06/80/458860680.db2.gz BFHTZTSDCZLVER-UHFFFAOYSA-N 1 2 326.444 3.429 20 30 EGEDLO C=C(C)CS(=O)(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC000477130251 459032607 /nfs/dbraw/zinc/03/26/07/459032607.db2.gz ZZBGNJSZDRXCIF-MRXNPFEDSA-N 1 2 344.908 3.218 20 30 EGEDLO C[C@H]1C[N@H+](Cc2cccc(F)c2C#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000496006718 459034443 /nfs/dbraw/zinc/03/44/43/459034443.db2.gz NMVCDEPQIGFWIH-GUYCJALGSA-N 1 2 347.434 3.432 20 30 EGEDLO C[C@H]1C[N@@H+](Cc2cccc(F)c2C#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000496006718 459034447 /nfs/dbraw/zinc/03/44/47/459034447.db2.gz NMVCDEPQIGFWIH-GUYCJALGSA-N 1 2 347.434 3.432 20 30 EGEDLO CCc1nc(C(C)C)ccc1C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000590168783 459096383 /nfs/dbraw/zinc/09/63/83/459096383.db2.gz FGCIKYOKRYPLMD-FQEVSTJZSA-N 1 2 328.504 3.433 20 30 EGEDLO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2CCC[C@@](C)(C#N)C2)C1=O ZINC000590173271 459097189 /nfs/dbraw/zinc/09/71/89/459097189.db2.gz ZTJICZJRECJSDF-BJZITVGISA-N 1 2 329.419 3.113 20 30 EGEDLO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2CCC[C@@](C)(C#N)C2)C1=O ZINC000590173271 459097192 /nfs/dbraw/zinc/09/71/92/459097192.db2.gz ZTJICZJRECJSDF-BJZITVGISA-N 1 2 329.419 3.113 20 30 EGEDLO CCC[N@H+](Cc1[nH]nc(C)c1C(=O)OCC)Cc1ccc(C#N)cc1 ZINC000590604241 459160374 /nfs/dbraw/zinc/16/03/74/459160374.db2.gz DXKIHQOSPKBIRF-UHFFFAOYSA-N 1 2 340.427 3.179 20 30 EGEDLO CCC[N@@H+](Cc1[nH]nc(C)c1C(=O)OCC)Cc1ccc(C#N)cc1 ZINC000590604241 459160380 /nfs/dbraw/zinc/16/03/80/459160380.db2.gz DXKIHQOSPKBIRF-UHFFFAOYSA-N 1 2 340.427 3.179 20 30 EGEDLO COc1cccc2c1C[N@H+](Cc1nnc(-c3cccc(C#N)c3)o1)CC2 ZINC000590759665 459208111 /nfs/dbraw/zinc/20/81/11/459208111.db2.gz FZGMWVUYUJKSDJ-UHFFFAOYSA-N 1 2 346.390 3.175 20 30 EGEDLO COc1cccc2c1C[N@@H+](Cc1nnc(-c3cccc(C#N)c3)o1)CC2 ZINC000590759665 459208117 /nfs/dbraw/zinc/20/81/17/459208117.db2.gz FZGMWVUYUJKSDJ-UHFFFAOYSA-N 1 2 346.390 3.175 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)c2c(Cl)cc(C#N)cc2Cl)c2[nH+]ccn21 ZINC000590875721 459255265 /nfs/dbraw/zinc/25/52/65/459255265.db2.gz LODLFTQQPQNNAH-UFBFGSQYSA-N 1 2 335.194 3.497 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cnc(N2CCCC2)nc1 ZINC000536670725 459360952 /nfs/dbraw/zinc/36/09/52/459360952.db2.gz ZCOYEDLQYXXXDP-UXHICEINSA-N 1 2 347.466 3.349 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cnc(N2CCCC2)nc1 ZINC000536670725 459360958 /nfs/dbraw/zinc/36/09/58/459360958.db2.gz ZCOYEDLQYXXXDP-UXHICEINSA-N 1 2 347.466 3.349 20 30 EGEDLO Cc1ccc2[nH+]c(CSCC(=O)N(CCC#N)C(C)C)cn2c1 ZINC000524455749 459364103 /nfs/dbraw/zinc/36/41/03/459364103.db2.gz YHKIONOHDPJIPK-UHFFFAOYSA-N 1 2 330.457 3.027 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000582535868 459381732 /nfs/dbraw/zinc/38/17/32/459381732.db2.gz YOZHTXVEAQFSIA-DOTOQJQBSA-N 1 2 335.436 3.494 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000582535870 459382141 /nfs/dbraw/zinc/38/21/41/459382141.db2.gz YOZHTXVEAQFSIA-RDJZCZTQSA-N 1 2 335.436 3.494 20 30 EGEDLO Cc1ccc2c(c1)C[N@@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)CC2 ZINC000595656516 459386216 /nfs/dbraw/zinc/38/62/16/459386216.db2.gz ATBIDUGZEBXLHB-UHFFFAOYSA-N 1 2 330.391 3.475 20 30 EGEDLO Cc1ccc2c(c1)C[N@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)CC2 ZINC000595656516 459386221 /nfs/dbraw/zinc/38/62/21/459386221.db2.gz ATBIDUGZEBXLHB-UHFFFAOYSA-N 1 2 330.391 3.475 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595702777 459403871 /nfs/dbraw/zinc/40/38/71/459403871.db2.gz KGVRBJWPZKOPGH-WMLDXEAASA-N 1 2 329.419 3.304 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595702777 459403878 /nfs/dbraw/zinc/40/38/78/459403878.db2.gz KGVRBJWPZKOPGH-WMLDXEAASA-N 1 2 329.419 3.304 20 30 EGEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(Oc2ccccc2)c1 ZINC000591772134 459432567 /nfs/dbraw/zinc/43/25/67/459432567.db2.gz ZECMSQVRIUZYRP-KRWDZBQOSA-N 1 2 325.412 3.097 20 30 EGEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(Oc2ccccc2)c1 ZINC000591772134 459432572 /nfs/dbraw/zinc/43/25/72/459432572.db2.gz ZECMSQVRIUZYRP-KRWDZBQOSA-N 1 2 325.412 3.097 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000569501275 459462524 /nfs/dbraw/zinc/46/25/24/459462524.db2.gz NRJKSKWELOPIOW-INIZCTEOSA-N 1 2 349.438 3.186 20 30 EGEDLO N#Cc1ccccc1OCC[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000541703679 459480488 /nfs/dbraw/zinc/48/04/88/459480488.db2.gz MIPRAKSSUIVSMT-FQEVSTJZSA-N 1 2 336.435 3.271 20 30 EGEDLO N#Cc1ccccc1OCC[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000541703679 459480490 /nfs/dbraw/zinc/48/04/90/459480490.db2.gz MIPRAKSSUIVSMT-FQEVSTJZSA-N 1 2 336.435 3.271 20 30 EGEDLO CCc1ccc(-c2nc(C[N@@H+]3CC[C@@](O)(CC#N)C3)cs2)cc1 ZINC000592147840 459537540 /nfs/dbraw/zinc/53/75/40/459537540.db2.gz OYFQYDPYUGRAAD-SFHVURJKSA-N 1 2 327.453 3.223 20 30 EGEDLO CCc1ccc(-c2nc(C[N@H+]3CC[C@@](O)(CC#N)C3)cs2)cc1 ZINC000592147840 459537548 /nfs/dbraw/zinc/53/75/48/459537548.db2.gz OYFQYDPYUGRAAD-SFHVURJKSA-N 1 2 327.453 3.223 20 30 EGEDLO C=C[C@@H]1CCCCN1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000488359569 459543896 /nfs/dbraw/zinc/54/38/96/459543896.db2.gz AUAUHHSXOCCNPU-QGZVFWFLSA-N 1 2 329.444 3.091 20 30 EGEDLO C=CCn1cccc1C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000488900630 459556114 /nfs/dbraw/zinc/55/61/14/459556114.db2.gz NKOHHRFOBBLBKI-HNNXBMFYSA-N 1 2 329.469 3.255 20 30 EGEDLO C#CC[N@@H+](CC)Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1 ZINC000490851773 459588272 /nfs/dbraw/zinc/58/82/72/459588272.db2.gz IFFODQVBCDDOMX-UHFFFAOYSA-N 1 2 341.480 3.396 20 30 EGEDLO C#CC[N@H+](CC)Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1 ZINC000490851773 459588274 /nfs/dbraw/zinc/58/82/74/459588274.db2.gz IFFODQVBCDDOMX-UHFFFAOYSA-N 1 2 341.480 3.396 20 30 EGEDLO C#C[C@H](CCC)NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000491193285 459604476 /nfs/dbraw/zinc/60/44/76/459604476.db2.gz XNJVZSDJALLQAN-XYJFISCASA-N 1 2 343.471 3.219 20 30 EGEDLO N#Cc1c(NCc2ccc[nH+]c2N2CCCC2)cccc1-n1cccn1 ZINC000596358255 459607673 /nfs/dbraw/zinc/60/76/73/459607673.db2.gz XLEFIHIDZGYXFC-UHFFFAOYSA-N 1 2 344.422 3.351 20 30 EGEDLO C#C[C@@H]([NH2+][C@H](C(=O)N(C)C)c1ccccc1)c1ccc(Cl)cc1 ZINC000491305350 459615292 /nfs/dbraw/zinc/61/52/92/459615292.db2.gz IPVGUXJOMXDZNV-MSOLQXFVSA-N 1 2 326.827 3.433 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000527298563 459624340 /nfs/dbraw/zinc/62/43/40/459624340.db2.gz FHQQNTYIQNISJG-CYBMUJFWSA-N 1 2 345.393 3.005 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000527298563 459624344 /nfs/dbraw/zinc/62/43/44/459624344.db2.gz FHQQNTYIQNISJG-CYBMUJFWSA-N 1 2 345.393 3.005 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@H](C)c2ccc(Cl)cc2)n1 ZINC000491772419 459669886 /nfs/dbraw/zinc/66/98/86/459669886.db2.gz QPIADBSKLCMBSI-OAHLLOKOSA-N 1 2 331.847 3.379 20 30 EGEDLO C#CCn1ccc(C[N@H+](CCOC)[C@H](C)c2ccc(Cl)cc2)n1 ZINC000491772419 459669891 /nfs/dbraw/zinc/66/98/91/459669891.db2.gz QPIADBSKLCMBSI-OAHLLOKOSA-N 1 2 331.847 3.379 20 30 EGEDLO C=CCOc1ccc(/C=C\C(=O)N[C@@H](CC)c2[nH]cc[nH+]2)cc1OC ZINC000492620313 459713906 /nfs/dbraw/zinc/71/39/06/459713906.db2.gz JINYGCBGRODQCN-VIHMKRCTSA-N 1 2 341.411 3.264 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1ccc(-c2ccccc2F)o1 ZINC000493101449 459733895 /nfs/dbraw/zinc/73/38/95/459733895.db2.gz CNUJZFJXAOPWBO-SINXNMPMSA-N 1 2 341.386 3.059 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1csc2ccc(Cl)cc12 ZINC000563220319 459741727 /nfs/dbraw/zinc/74/17/27/459741727.db2.gz KWLNPCOPZRDSIS-INIZCTEOSA-N 1 2 335.860 3.057 20 30 EGEDLO COc1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c(F)c1 ZINC000563253018 459747589 /nfs/dbraw/zinc/74/75/89/459747589.db2.gz ORAAZYOSIKNAEO-HXUWFJFHSA-N 1 2 339.414 3.217 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnc(-c2cccc(Cl)c2)s1 ZINC000593153621 459790124 /nfs/dbraw/zinc/79/01/24/459790124.db2.gz XOUOMSVYORGBIY-MRXNPFEDSA-N 1 2 348.859 3.037 20 30 EGEDLO N#Cc1ccccc1N1CC[NH+](Cc2cccnc2C(F)(F)F)CC1 ZINC000528365403 459804703 /nfs/dbraw/zinc/80/47/03/459804703.db2.gz PONHMGWBVPRDAW-UHFFFAOYSA-N 1 2 346.356 3.294 20 30 EGEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000528500495 459809247 /nfs/dbraw/zinc/80/92/47/459809247.db2.gz BSAFCUKURJPTJQ-CJNGLKHVSA-N 1 2 344.846 3.408 20 30 EGEDLO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000528500495 459809251 /nfs/dbraw/zinc/80/92/51/459809251.db2.gz BSAFCUKURJPTJQ-CJNGLKHVSA-N 1 2 344.846 3.408 20 30 EGEDLO Cc1nn(C(C)C)cc1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000597184677 459867303 /nfs/dbraw/zinc/86/73/03/459867303.db2.gz YJPUWQCAJQTFIR-UHFFFAOYSA-N 1 2 329.473 3.028 20 30 EGEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2cccc(F)c2)cc1 ZINC000574804222 459874451 /nfs/dbraw/zinc/87/44/51/459874451.db2.gz UQASXRXTTZMBKI-QGZVFWFLSA-N 1 2 343.402 3.236 20 30 EGEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2cccc(F)c2)cc1 ZINC000574804222 459874460 /nfs/dbraw/zinc/87/44/60/459874460.db2.gz UQASXRXTTZMBKI-QGZVFWFLSA-N 1 2 343.402 3.236 20 30 EGEDLO Cc1ccc2[nH+]c(CNC(=O)c3cc4ccccc4n3CC#N)cn2c1 ZINC000609167067 459918199 /nfs/dbraw/zinc/91/81/99/459918199.db2.gz ULWLTCKZHNSOCL-UHFFFAOYSA-N 1 2 343.390 3.051 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609233458 459928299 /nfs/dbraw/zinc/92/82/99/459928299.db2.gz COUHURJZKPRNJU-INIZCTEOSA-N 1 2 341.436 3.022 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609233458 459928307 /nfs/dbraw/zinc/92/83/07/459928307.db2.gz COUHURJZKPRNJU-INIZCTEOSA-N 1 2 341.436 3.022 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)CCCCCC#N)c1ccccc1F ZINC000588273998 459941030 /nfs/dbraw/zinc/94/10/30/459941030.db2.gz NRSOYDLEVXMWCH-QGZVFWFLSA-N 1 2 328.391 3.239 20 30 EGEDLO N#Cc1cc(NCc2cn3cc(Cl)ccc3[nH+]2)nc2ccccc12 ZINC000609891004 460035361 /nfs/dbraw/zinc/03/53/61/460035361.db2.gz WJONKOCJTIXHLR-UHFFFAOYSA-N 1 2 333.782 3.442 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000594008998 460053971 /nfs/dbraw/zinc/05/39/71/460053971.db2.gz VJWYCOKPOKGPFL-PKOBYXMFSA-N 1 2 331.435 3.455 20 30 EGEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000594010799 460055554 /nfs/dbraw/zinc/05/55/54/460055554.db2.gz NVKWJXUSQYNTDF-VXGBXAGGSA-N 1 2 338.249 3.366 20 30 EGEDLO CCOCc1nc([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)no1 ZINC000589350454 460076552 /nfs/dbraw/zinc/07/65/52/460076552.db2.gz AXTGHZOPHUWZCR-BLLLJJGKSA-N 1 2 326.400 3.206 20 30 EGEDLO Cc1cccn2cc(CCNC(=O)Nc3ccc(C#N)c(F)c3)[nH+]c12 ZINC000589346864 460077066 /nfs/dbraw/zinc/07/70/66/460077066.db2.gz CINCRVSVQLENQK-UHFFFAOYSA-N 1 2 337.358 3.018 20 30 EGEDLO Cc1cccc2[nH+]c(CCNC(=O)[C@H](C)Cc3ccc(C#N)cc3)cn21 ZINC000594065471 460083736 /nfs/dbraw/zinc/08/37/36/460083736.db2.gz PSDOHDXYUYQQQI-OAHLLOKOSA-N 1 2 346.434 3.052 20 30 EGEDLO N#CCCN1CC[NH+](CCCc2c(Cl)cccc2Cl)CC1 ZINC000602748912 460104494 /nfs/dbraw/zinc/10/44/94/460104494.db2.gz WMLUACSHBSOBMX-UHFFFAOYSA-N 1 2 326.271 3.457 20 30 EGEDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618730966 460145926 /nfs/dbraw/zinc/14/59/26/460145926.db2.gz MUOQVICVSKPELM-QGZVFWFLSA-N 1 2 344.418 3.274 20 30 EGEDLO C[C@@H](CC#N)[NH2+][C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000602862652 460163311 /nfs/dbraw/zinc/16/33/11/460163311.db2.gz JNQPTGNOINMMCB-VWYCJHECSA-N 1 2 330.457 3.474 20 30 EGEDLO C[C@H](CC#N)[NH2+]CC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000602862952 460163462 /nfs/dbraw/zinc/16/34/62/460163462.db2.gz LHJIDWZMGWKPPR-GOSISDBHSA-N 1 2 335.451 3.150 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](c3ccco3)C2)c(C#N)c1C ZINC000610542989 460180397 /nfs/dbraw/zinc/18/03/97/460180397.db2.gz YIJQKEWUWDDGNE-CYBMUJFWSA-N 1 2 329.425 3.258 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](c3ccco3)C2)c(C#N)c1C ZINC000610542989 460180402 /nfs/dbraw/zinc/18/04/02/460180402.db2.gz YIJQKEWUWDDGNE-CYBMUJFWSA-N 1 2 329.425 3.258 20 30 EGEDLO C[C@@H](CCC#N)C[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F ZINC000618887531 460209004 /nfs/dbraw/zinc/20/90/04/460209004.db2.gz CIYOUTFAGJYEPF-WFASDCNBSA-N 1 2 339.361 3.118 20 30 EGEDLO C[C@@H](CCC#N)C[N@H+]1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F ZINC000618887531 460209010 /nfs/dbraw/zinc/20/90/10/460209010.db2.gz CIYOUTFAGJYEPF-WFASDCNBSA-N 1 2 339.361 3.118 20 30 EGEDLO COC(=O)c1cccc(Cn2c[nH+]c3cc(F)c(F)cc32)c1C#N ZINC000611114966 460291560 /nfs/dbraw/zinc/29/15/60/460291560.db2.gz XFUHORBUZNEPCZ-UHFFFAOYSA-N 1 2 327.290 3.021 20 30 EGEDLO Cc1ccnc(N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)c1C#N ZINC000603421258 460302433 /nfs/dbraw/zinc/30/24/33/460302433.db2.gz YVGGKHLKIDNXEZ-UHFFFAOYSA-N 1 2 347.344 3.002 20 30 EGEDLO CCOc1cc2[nH+]ccc(N3CC[C@](F)(C#N)C3)c2cc1OCC ZINC000615532202 460343333 /nfs/dbraw/zinc/34/33/33/460343333.db2.gz VXTCVUXZKFYVPH-SFHVURJKSA-N 1 2 329.375 3.474 20 30 EGEDLO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cccc(C#N)c1 ZINC000611386151 460350467 /nfs/dbraw/zinc/35/04/67/460350467.db2.gz FDZDEVAHMHBOOS-ZDUSSCGKSA-N 1 2 329.363 3.331 20 30 EGEDLO Cn1c[nH+]cc1CCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000619429063 460353499 /nfs/dbraw/zinc/35/34/99/460353499.db2.gz YBNSYESHVDBHMB-UHFFFAOYSA-N 1 2 347.378 3.050 20 30 EGEDLO Cc1cccn2cc(CCNC(=O)C[C@@H](CC#N)c3ccccc3)[nH+]c12 ZINC000619438419 460356464 /nfs/dbraw/zinc/35/64/64/460356464.db2.gz QQBKCYQHFPOLRJ-GOSISDBHSA-N 1 2 346.434 3.389 20 30 EGEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1cc2c(cc1Br)OCCO2 ZINC000611433152 460364502 /nfs/dbraw/zinc/36/45/02/460364502.db2.gz MXMLRGGZCBSASZ-JTQLQIEISA-N 1 2 337.217 3.175 20 30 EGEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1cc2c(cc1Br)OCCO2 ZINC000611433153 460364534 /nfs/dbraw/zinc/36/45/34/460364534.db2.gz MXMLRGGZCBSASZ-SNVBAGLBSA-N 1 2 337.217 3.175 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(F)(F)CC1 ZINC000619516120 460372268 /nfs/dbraw/zinc/37/22/68/460372268.db2.gz NKDKKETXQQPAEB-JTQLQIEISA-N 1 2 327.762 3.270 20 30 EGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC=CCC1 ZINC000611517394 460384637 /nfs/dbraw/zinc/38/46/37/460384637.db2.gz XSQLUWINASEGGW-ZDUSSCGKSA-N 1 2 329.469 3.478 20 30 EGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC=CCC1 ZINC000611517394 460384645 /nfs/dbraw/zinc/38/46/45/460384645.db2.gz XSQLUWINASEGGW-ZDUSSCGKSA-N 1 2 329.469 3.478 20 30 EGEDLO C[C@@]1(C#N)CCC[N@@H+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000615798525 460393239 /nfs/dbraw/zinc/39/32/39/460393239.db2.gz AXSPVZWWWDBTHG-MJGOQNOKSA-N 1 2 347.409 3.081 20 30 EGEDLO C[C@@]1(C#N)CCC[N@H+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000615798525 460393245 /nfs/dbraw/zinc/39/32/45/460393245.db2.gz AXSPVZWWWDBTHG-MJGOQNOKSA-N 1 2 347.409 3.081 20 30 EGEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000619717277 460420640 /nfs/dbraw/zinc/42/06/40/460420640.db2.gz SUXKEXRPJPMJSK-KRWDZBQOSA-N 1 2 332.375 3.073 20 30 EGEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000619717277 460420644 /nfs/dbraw/zinc/42/06/44/460420644.db2.gz SUXKEXRPJPMJSK-KRWDZBQOSA-N 1 2 332.375 3.073 20 30 EGEDLO C=CCCCCCN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000606816604 460742180 /nfs/dbraw/zinc/74/21/80/460742180.db2.gz CXFBMJSZPMRXJD-HXUWFJFHSA-N 1 2 343.515 3.180 20 30 EGEDLO N#Cc1ccccc1/C=C\c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000612872737 460758945 /nfs/dbraw/zinc/75/89/45/460758945.db2.gz GTNUUURVVFTFTD-HJWRWDBZSA-N 1 2 327.347 3.350 20 30 EGEDLO Cc1[nH+]c2cc(NC(=O)c3ccccc3CC#N)ccc2n1[C@@H](C)CO ZINC000601623342 460849280 /nfs/dbraw/zinc/84/92/80/460849280.db2.gz JURHAELXSIBXBL-ZDUSSCGKSA-N 1 2 348.406 3.216 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[NH+](Cc3cc(C)ccc3OC)CC2)C1 ZINC000630549868 461183912 /nfs/dbraw/zinc/18/39/12/461183912.db2.gz DZEGJCJSEJUZFF-UHFFFAOYSA-N 1 2 328.456 3.004 20 30 EGEDLO C=CCC1(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCCC1 ZINC000634304270 461533002 /nfs/dbraw/zinc/53/30/02/461533002.db2.gz AAMOLOHEZQYUGG-UHFFFAOYSA-N 1 2 345.512 3.388 20 30 EGEDLO C=CCCn1cc(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)nn1 ZINC000653497582 461672888 /nfs/dbraw/zinc/67/28/88/461672888.db2.gz LLBDIZOTGNBGRP-UHFFFAOYSA-N 1 2 348.397 3.176 20 30 EGEDLO C=CC[N@H+](Cc1nc(-c2ccc(C)c(OC)c2)no1)[C@H](C)COC ZINC000661242568 462167444 /nfs/dbraw/zinc/16/74/44/462167444.db2.gz QOJYFFHDAVWDOC-CQSZACIVSA-N 1 2 331.416 3.077 20 30 EGEDLO C=CC[N@@H+](Cc1nc(-c2ccc(C)c(OC)c2)no1)[C@H](C)COC ZINC000661242568 462167452 /nfs/dbraw/zinc/16/74/52/462167452.db2.gz QOJYFFHDAVWDOC-CQSZACIVSA-N 1 2 331.416 3.077 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000246858347 536757635 /nfs/dbraw/zinc/75/76/35/536757635.db2.gz UFZJQBRWVKCPAO-UXHICEINSA-N 1 2 349.434 3.349 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000246858347 536757639 /nfs/dbraw/zinc/75/76/39/536757639.db2.gz UFZJQBRWVKCPAO-UXHICEINSA-N 1 2 349.434 3.349 20 30 EGEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000330347312 547520549 /nfs/dbraw/zinc/52/05/49/547520549.db2.gz HLXLUUFRJZLFPL-AEFFLSMTSA-N 1 2 336.439 3.339 20 30 EGEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)N(c1nccs1)C1CCCCC1 ZINC000333628556 547539382 /nfs/dbraw/zinc/53/93/82/547539382.db2.gz QRRJKYFOTJIAKB-LZWOXQAQSA-N 1 2 346.500 3.479 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000680993407 549939627 /nfs/dbraw/zinc/93/96/27/549939627.db2.gz GVDZFSHIWBUNKP-KRWDZBQOSA-N 1 2 330.472 3.250 20 30 EGEDLO CCC#C[C@@H](C)[NH+]1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000684007249 550282246 /nfs/dbraw/zinc/28/22/46/550282246.db2.gz AETXMHQDVPIKNA-OAHLLOKOSA-N 1 2 326.465 3.461 20 30 EGEDLO C#Cc1cccc(NC(=S)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000726481578 574558528 /nfs/dbraw/zinc/55/85/28/574558528.db2.gz DKHUDEUJMOWDQI-INIZCTEOSA-N 1 2 326.469 3.266 20 30 EGEDLO C=CCn1c(C)nn(C[N@@H+]2CCCc3cc(OC)ccc3C2)c1=S ZINC000728562947 574759583 /nfs/dbraw/zinc/75/95/83/574759583.db2.gz DZTOZAHQMFBRHP-UHFFFAOYSA-N 1 2 344.484 3.323 20 30 EGEDLO C=CCn1c(C)nn(C[N@H+]2CCCc3cc(OC)ccc3C2)c1=S ZINC000728562947 574759584 /nfs/dbraw/zinc/75/95/84/574759584.db2.gz DZTOZAHQMFBRHP-UHFFFAOYSA-N 1 2 344.484 3.323 20 30 EGEDLO Cn1cc[nH+]c1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000728688195 574766764 /nfs/dbraw/zinc/76/67/64/574766764.db2.gz VEUFCEJWRMDBTD-SFHVURJKSA-N 1 2 345.406 3.397 20 30 EGEDLO C#CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCc2ccccc21 ZINC000728913113 574786096 /nfs/dbraw/zinc/78/60/96/574786096.db2.gz BCQSJJUHLXANMF-LJQANCHMSA-N 1 2 329.403 3.458 20 30 EGEDLO C#CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCc2ccccc21 ZINC000728913113 574786097 /nfs/dbraw/zinc/78/60/97/574786097.db2.gz BCQSJJUHLXANMF-LJQANCHMSA-N 1 2 329.403 3.458 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000730103634 574920042 /nfs/dbraw/zinc/92/00/42/574920042.db2.gz FWZTWBFQSWRVKS-HOCLYGCPSA-N 1 2 340.423 3.106 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000730103634 574920043 /nfs/dbraw/zinc/92/00/43/574920043.db2.gz FWZTWBFQSWRVKS-HOCLYGCPSA-N 1 2 340.423 3.106 20 30 EGEDLO Cc1[nH+]c(-c2ccncc2)nc(NCc2ccc(OCC#N)cc2)c1C ZINC000733300846 575326399 /nfs/dbraw/zinc/32/63/99/575326399.db2.gz WLTFGMFZQSQATH-UHFFFAOYSA-N 1 2 345.406 3.092 20 30 EGEDLO C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1cccc(C#N)c1 ZINC000743564708 576812179 /nfs/dbraw/zinc/81/21/79/576812179.db2.gz HHYDBBRXPNOLKN-OAHLLOKOSA-N 1 2 345.406 3.304 20 30 EGEDLO C[C@H](C#N)OCC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000794804108 1309598571 /nfs/dbraw/zinc/59/85/71/1309598571.db2.gz TWFXHPHFOQIHHB-IOASZLSFSA-N 1 2 342.361 3.396 20 30 EGEDLO C[C@H](C#N)OCC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000794804108 1309598580 /nfs/dbraw/zinc/59/85/80/1309598580.db2.gz TWFXHPHFOQIHHB-IOASZLSFSA-N 1 2 342.361 3.396 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)Cc1c(C)noc1C ZINC000072514215 1292278481 /nfs/dbraw/zinc/27/84/81/1292278481.db2.gz ZDSYIEUJLWOVMF-CQSZACIVSA-N 1 2 347.484 3.388 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1c(C)noc1C ZINC000072514215 1292278487 /nfs/dbraw/zinc/27/84/87/1292278487.db2.gz ZDSYIEUJLWOVMF-CQSZACIVSA-N 1 2 347.484 3.388 20 30 EGEDLO CCO[C@@H](C)c1nc(CO[NH+]=C(N)Cc2ccc(OC)cc2)cs1 ZINC000076696398 1292437664 /nfs/dbraw/zinc/43/76/64/1292437664.db2.gz XXDQHDMWTGHCSD-LBPRGKRZSA-N 1 2 349.456 3.281 20 30 EGEDLO C=CCn1c(C)nn(C[N@H+]2Cc3ccccc3N(C)C[C@@H]2C)c1=S ZINC000083629768 1292686901 /nfs/dbraw/zinc/68/69/01/1292686901.db2.gz ZAWLQUSNKCKHGM-AWEZNQCLSA-N 1 2 343.500 3.207 20 30 EGEDLO C=CCn1c(C)nn(C[N@@H+]2Cc3ccccc3N(C)C[C@@H]2C)c1=S ZINC000083629768 1292686906 /nfs/dbraw/zinc/68/69/06/1292686906.db2.gz ZAWLQUSNKCKHGM-AWEZNQCLSA-N 1 2 343.500 3.207 20 30 EGEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(OC)c(OC)c1OC ZINC000092541549 1292875086 /nfs/dbraw/zinc/87/50/86/1292875086.db2.gz NVRAFNUWLQENLA-UHFFFAOYSA-N 1 2 343.398 3.487 20 30 EGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(OC)c(OC)c1OC ZINC000092541549 1292875095 /nfs/dbraw/zinc/87/50/95/1292875095.db2.gz NVRAFNUWLQENLA-UHFFFAOYSA-N 1 2 343.398 3.487 20 30 EGEDLO C#CCOc1cccc(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000108517867 1293082509 /nfs/dbraw/zinc/08/25/09/1293082509.db2.gz UFFKTJUGSUKTSY-UHFFFAOYSA-N 1 2 339.395 3.041 20 30 EGEDLO C[NH+](C)Cc1cnc(/C=C2\Cc3cc(F)c(F)c(F)c3C2=O)s1 ZINC000834455698 1293099142 /nfs/dbraw/zinc/09/91/42/1293099142.db2.gz NWIXHCZFERKRCL-WEVVVXLNSA-N 1 2 338.354 3.444 20 30 EGEDLO C#CCOc1ccccc1CNc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000194077278 1295939152 /nfs/dbraw/zinc/93/91/52/1295939152.db2.gz XWFISHZJGDPVEF-UHFFFAOYSA-N 1 2 336.435 3.272 20 30 EGEDLO O=[N+]([O-])c1ccc(O)c(/C=N\C[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000255554325 1296546340 /nfs/dbraw/zinc/54/63/40/1296546340.db2.gz JQGWARMPLBYIDM-BDBXIWDTSA-N 1 2 339.395 3.384 20 30 EGEDLO O=[N+]([O-])c1ccc(O)c(/C=N\C[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000255554325 1296546349 /nfs/dbraw/zinc/54/63/49/1296546349.db2.gz JQGWARMPLBYIDM-BDBXIWDTSA-N 1 2 339.395 3.384 20 30 EGEDLO N#Cc1ccccc1/C=C\C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000255771462 1296567272 /nfs/dbraw/zinc/56/72/72/1296567272.db2.gz LDJZVXMQMCNTKF-KTKRTIGZSA-N 1 2 328.375 3.074 20 30 EGEDLO C#CC[N@@H+](CN1C(=S)N=NC1Cc1cccs1)C1CCCCC1 ZINC000746505695 1298598391 /nfs/dbraw/zinc/59/83/91/1298598391.db2.gz MPFNNRRBKWODGQ-UHFFFAOYSA-N 1 2 346.525 3.445 20 30 EGEDLO C#CC[N@H+](CN1C(=S)N=NC1Cc1cccs1)C1CCCCC1 ZINC000746505695 1298598397 /nfs/dbraw/zinc/59/83/97/1298598397.db2.gz MPFNNRRBKWODGQ-UHFFFAOYSA-N 1 2 346.525 3.445 20 30 EGEDLO N#Cc1cc(COC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)ccn1 ZINC000747068404 1298720700 /nfs/dbraw/zinc/72/07/00/1298720700.db2.gz HFCYHXHGRLENJM-LJQANCHMSA-N 1 2 335.407 3.051 20 30 EGEDLO N#Cc1cc(COC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)ccn1 ZINC000747068404 1298720705 /nfs/dbraw/zinc/72/07/05/1298720705.db2.gz HFCYHXHGRLENJM-LJQANCHMSA-N 1 2 335.407 3.051 20 30 EGEDLO CCOc1cc(C#N)cc(Cl)c1OC(=O)CCCn1cc[nH+]c1 ZINC000748610442 1299049361 /nfs/dbraw/zinc/04/93/61/1299049361.db2.gz ONWDEPLMPMZLDU-UHFFFAOYSA-N 1 2 333.775 3.193 20 30 EGEDLO C#C[C@@H](CC)[NH2+]Cc1csc(N(C(C)=O)c2ccc(OC)cc2)n1 ZINC000877513478 1299358548 /nfs/dbraw/zinc/35/85/48/1299358548.db2.gz WVSXKYFNZKVRSK-AWEZNQCLSA-N 1 2 343.452 3.338 20 30 EGEDLO COc1ccc(O)c(/C=[NH+]\C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000750949985 1299485680 /nfs/dbraw/zinc/48/56/80/1299485680.db2.gz LVMUHPAKWOLVNN-GQFJFNLSSA-N 1 2 348.443 3.467 20 30 EGEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=S)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000755398588 1300334805 /nfs/dbraw/zinc/33/48/05/1300334805.db2.gz RKJQGBXMERHIFZ-LBPRGKRZSA-N 1 2 345.859 3.131 20 30 EGEDLO Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879584903 1300613600 /nfs/dbraw/zinc/61/36/00/1300613600.db2.gz MNRCXQZXWNMXGT-KRWDZBQOSA-N 1 2 348.450 3.016 20 30 EGEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cc2c(cc1OC)OCO2 ZINC000761196023 1301418486 /nfs/dbraw/zinc/41/84/86/1301418486.db2.gz SMLZCELJZQSJQK-UHFFFAOYSA-N 1 2 327.355 3.198 20 30 EGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(cc1OC)OCO2 ZINC000761196023 1301418490 /nfs/dbraw/zinc/41/84/90/1301418490.db2.gz SMLZCELJZQSJQK-UHFFFAOYSA-N 1 2 327.355 3.198 20 30 EGEDLO Cc1nc(C#N)cc(N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000882030210 1301795444 /nfs/dbraw/zinc/79/54/44/1301795444.db2.gz SMCNHCTYJSNALH-CYBMUJFWSA-N 1 2 341.846 3.193 20 30 EGEDLO C#CCSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000765858958 1302341190 /nfs/dbraw/zinc/34/11/90/1302341190.db2.gz JTQNBWWTGRGBNC-UHFFFAOYSA-N 1 2 332.860 3.242 20 30 EGEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000769960656 1303199082 /nfs/dbraw/zinc/19/90/82/1303199082.db2.gz GDFZOTCTAIUIHF-AWEZNQCLSA-N 1 2 340.471 3.374 20 30 EGEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000769960656 1303199085 /nfs/dbraw/zinc/19/90/85/1303199085.db2.gz GDFZOTCTAIUIHF-AWEZNQCLSA-N 1 2 340.471 3.374 20 30 EGEDLO Brc1ccc(CNN=Cc2cccc3[nH+]ccn32)cc1 ZINC000771101709 1303360768 /nfs/dbraw/zinc/36/07/68/1303360768.db2.gz WLTSBXUOVMGAID-UHFFFAOYSA-N 1 2 329.201 3.221 20 30 EGEDLO CC[N@H+](C)[C@H](C(=O)OCC#Cc1ccc(F)cc1)c1ccccc1 ZINC000771367182 1303394697 /nfs/dbraw/zinc/39/46/97/1303394697.db2.gz NYKLFGUWTCMAIQ-IBGZPJMESA-N 1 2 325.383 3.413 20 30 EGEDLO CC[N@@H+](C)[C@H](C(=O)OCC#Cc1ccc(F)cc1)c1ccccc1 ZINC000771367182 1303394705 /nfs/dbraw/zinc/39/47/05/1303394705.db2.gz NYKLFGUWTCMAIQ-IBGZPJMESA-N 1 2 325.383 3.413 20 30 EGEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccc4c(c3)CCC(=O)N4)n2c1 ZINC000771861229 1303450780 /nfs/dbraw/zinc/45/07/80/1303450780.db2.gz VUMUDIGJVRMOEH-ALCCZGGFSA-N 1 2 331.375 3.424 20 30 EGEDLO N#Cc1ccccc1COc1cccc(C(=O)OCCn2cc[nH+]c2)c1 ZINC000771932563 1303463683 /nfs/dbraw/zinc/46/36/83/1303463683.db2.gz GIYKQSPDHXVDMY-UHFFFAOYSA-N 1 2 347.374 3.191 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC000772328462 1303520174 /nfs/dbraw/zinc/52/01/74/1303520174.db2.gz DRRRQNVUUKMVOP-HUUCEWRRSA-N 1 2 329.444 3.388 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC000772328462 1303520175 /nfs/dbraw/zinc/52/01/75/1303520175.db2.gz DRRRQNVUUKMVOP-HUUCEWRRSA-N 1 2 329.444 3.388 20 30 EGEDLO C#CC[N@@H+](Cn1c(=O)oc2ccc(F)cc21)[C@@H]1CCc2ccccc21 ZINC000773295767 1303657044 /nfs/dbraw/zinc/65/70/44/1303657044.db2.gz VWLUKGCEPNUKNJ-QGZVFWFLSA-N 1 2 336.366 3.314 20 30 EGEDLO C#CC[N@H+](Cn1c(=O)oc2ccc(F)cc21)[C@@H]1CCc2ccccc21 ZINC000773295767 1303657052 /nfs/dbraw/zinc/65/70/52/1303657052.db2.gz VWLUKGCEPNUKNJ-QGZVFWFLSA-N 1 2 336.366 3.314 20 30 EGEDLO C[C@@H]1[C@H](C)[N@H+](Cc2cccc(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC000776606581 1304178953 /nfs/dbraw/zinc/17/89/53/1304178953.db2.gz LVJHWNASVCCBOF-LSDHHAIUSA-N 1 2 329.444 3.388 20 30 EGEDLO C[C@@H]1[C@H](C)[N@@H+](Cc2cccc(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC000776606581 1304178955 /nfs/dbraw/zinc/17/89/55/1304178955.db2.gz LVJHWNASVCCBOF-LSDHHAIUSA-N 1 2 329.444 3.388 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cccc2c1OCCO2 ZINC000778170005 1304408899 /nfs/dbraw/zinc/40/88/99/1304408899.db2.gz IGCOTXLPZNZBKD-UHFFFAOYSA-N 1 2 343.810 3.413 20 30 EGEDLO CCN(CC)c1ncc(C=[NH+]Nc2cccc(C(=O)OC)c2)s1 ZINC000779826272 1304610606 /nfs/dbraw/zinc/61/06/06/1304610606.db2.gz JWABWIONFOUMEG-UHFFFAOYSA-N 1 2 332.429 3.222 20 30 EGEDLO C#CCSCC(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000890459265 1304794808 /nfs/dbraw/zinc/79/48/08/1304794808.db2.gz OQOADTRTPKYZHI-UHFFFAOYSA-N 1 2 326.421 3.158 20 30 EGEDLO Cc1cc(Br)cn2c(/C=C\C(=O)c3cnccn3)c[nH+]c12 ZINC000783705923 1305130706 /nfs/dbraw/zinc/13/07/06/1305130706.db2.gz DDJATMGLDGZZPG-IHWYPQMZSA-N 1 2 343.184 3.091 20 30 EGEDLO COc1c(C)c[nH+]c(CN(C)c2cc(C#N)sc2[N+](=O)[O-])c1C ZINC000892131865 1305260507 /nfs/dbraw/zinc/26/05/07/1305260507.db2.gz PNLBRGFBXAQVBM-UHFFFAOYSA-N 1 2 332.385 3.185 20 30 EGEDLO Cn1cc[nH+]c1NN=Cc1ccc(OC(F)F)c(Br)c1 ZINC000790300387 1306293050 /nfs/dbraw/zinc/29/30/50/1306293050.db2.gz WQZUEUJTGIDHKN-UHFFFAOYSA-N 1 2 345.147 3.230 20 30 EGEDLO Cn1ccnc1N=NC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000790300546 1306293533 /nfs/dbraw/zinc/29/35/33/1306293533.db2.gz VKSJMFZFKSFXDS-UHFFFAOYSA-N 1 2 335.814 3.277 20 30 EGEDLO C#CC[N@@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccc(CC)cc1 ZINC000792301937 1309158276 /nfs/dbraw/zinc/15/82/76/1309158276.db2.gz LTCMSOXKOKMKEX-LJQANCHMSA-N 1 2 326.465 3.081 20 30 EGEDLO C#CC[N@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccc(CC)cc1 ZINC000792301937 1309158281 /nfs/dbraw/zinc/15/82/81/1309158281.db2.gz LTCMSOXKOKMKEX-LJQANCHMSA-N 1 2 326.465 3.081 20 30 EGEDLO Cc1nn(C(C)C)c(C)c1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000895320823 1309283542 /nfs/dbraw/zinc/28/35/42/1309283542.db2.gz PDBCSMAFQMLAOO-UHFFFAOYSA-N 1 2 343.500 3.336 20 30 EGEDLO Cc1c(Cl)cnc(N2CCC(Nc3cccc[nH+]3)CC2)c1C#N ZINC000895352755 1309295515 /nfs/dbraw/zinc/29/55/15/1309295515.db2.gz KZYHUERMHSGRBV-UHFFFAOYSA-N 1 2 327.819 3.391 20 30 EGEDLO C#C[C@H](NC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1)c1ccc(Cl)cc1 ZINC000794071027 1309467679 /nfs/dbraw/zinc/46/76/79/1309467679.db2.gz QOVCMDJWUQAUOZ-BZSNNMDCSA-N 1 2 348.874 3.020 20 30 EGEDLO C#C[C@H](NC(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1)c1ccc(Cl)cc1 ZINC000794071027 1309467684 /nfs/dbraw/zinc/46/76/84/1309467684.db2.gz QOVCMDJWUQAUOZ-BZSNNMDCSA-N 1 2 348.874 3.020 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](CC)CC2CCC2)c1=S ZINC000794681452 1309573263 /nfs/dbraw/zinc/57/32/63/1309573263.db2.gz DCURNJQMYPQWKM-UHFFFAOYSA-N 1 2 344.488 3.137 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](CC)CC2CCC2)c1=S ZINC000794681452 1309573269 /nfs/dbraw/zinc/57/32/69/1309573269.db2.gz DCURNJQMYPQWKM-UHFFFAOYSA-N 1 2 344.488 3.137 20 30 EGEDLO COc1ccc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)c(OC)c1 ZINC000794690968 1309576767 /nfs/dbraw/zinc/57/67/67/1309576767.db2.gz LNFWCXJPSLYFFQ-FPLPWBNLSA-N 1 2 332.425 3.118 20 30 EGEDLO COc1ccc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)cc1OC ZINC000794691308 1309576817 /nfs/dbraw/zinc/57/68/17/1309576817.db2.gz OLPSKHNQYWAHBX-SOFGYWHQSA-N 1 2 332.425 3.118 20 30 EGEDLO COc1cc(F)ccc1N[NH+]=Cc1c(C)nn(-c2ccccc2)c1N ZINC000794940445 1309627056 /nfs/dbraw/zinc/62/70/56/1309627056.db2.gz VHRSSJWVWFQVTG-UHFFFAOYSA-N 1 2 339.374 3.357 20 30 EGEDLO CC(C)(C)OC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC000896501474 1309888667 /nfs/dbraw/zinc/88/86/67/1309888667.db2.gz RYBGUHNFVICNBU-QGZVFWFLSA-N 1 2 329.444 3.447 20 30 EGEDLO CC(C)(C)OC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC000896501474 1309888673 /nfs/dbraw/zinc/88/86/73/1309888673.db2.gz RYBGUHNFVICNBU-QGZVFWFLSA-N 1 2 329.444 3.447 20 30 EGEDLO Cc1cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)ccc1Cl ZINC000798276192 1310334606 /nfs/dbraw/zinc/33/46/06/1310334606.db2.gz ZJLUHMXEMQYAKH-GDBMZVCRSA-N 1 2 349.862 3.497 20 30 EGEDLO C#Cc1ccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000897601267 1310404197 /nfs/dbraw/zinc/40/41/97/1310404197.db2.gz HCBWSPZHNKOKKL-UHFFFAOYSA-N 1 2 333.435 3.221 20 30 EGEDLO N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000839040721 1320855379 /nfs/dbraw/zinc/85/53/79/1320855379.db2.gz AVMIRUSZYPRORX-TZMCWYRMSA-N 1 2 340.339 3.020 20 30 EGEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1ccc(N2CCOC2=O)cc1 ZINC000901464452 1317431742 /nfs/dbraw/zinc/43/17/42/1317431742.db2.gz JIZARICBDPDKBN-BQYQJAHWSA-N 1 2 325.368 3.317 20 30 EGEDLO C#CCN(Cc1ccccc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000806550442 1317499931 /nfs/dbraw/zinc/49/99/31/1317499931.db2.gz FPGXKNDFELUDGD-UHFFFAOYSA-N 1 2 344.418 3.217 20 30 EGEDLO CC(C)(CCC#N)CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000806549894 1317499952 /nfs/dbraw/zinc/49/99/52/1317499952.db2.gz BEVLSAFVVKLHOO-UHFFFAOYSA-N 1 2 325.416 3.001 20 30 EGEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(C#N)c(F)c1 ZINC000810250026 1317986367 /nfs/dbraw/zinc/98/63/67/1317986367.db2.gz GXXRYLVSACJPIV-HNNXBMFYSA-N 1 2 329.379 3.130 20 30 EGEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccc(Br)nc1 ZINC000811697520 1318229430 /nfs/dbraw/zinc/22/94/30/1318229430.db2.gz UEWXKWGKMDGTAC-AATRIKPKSA-N 1 2 328.169 3.388 20 30 EGEDLO C=CC[N@@H+](CCc1ccccc1)CN1C(=O)C(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000811737612 1318245749 /nfs/dbraw/zinc/24/57/49/1318245749.db2.gz OWHHHSALXDXCGF-MOPGFXCFSA-N 1 2 342.483 3.091 20 30 EGEDLO C=CC[N@H+](CCc1ccccc1)CN1C(=O)C(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000811737612 1318245756 /nfs/dbraw/zinc/24/57/56/1318245756.db2.gz OWHHHSALXDXCGF-MOPGFXCFSA-N 1 2 342.483 3.091 20 30 EGEDLO C[N@@H+](Cc1c(F)cccc1Cl)C[C@@H]1CCCN1C(=O)C#CC1CC1 ZINC000960615697 1318743695 /nfs/dbraw/zinc/74/36/95/1318743695.db2.gz YKKRLRAGRCNTLZ-HNNXBMFYSA-N 1 2 348.849 3.315 20 30 EGEDLO C[N@H+](Cc1c(F)cccc1Cl)C[C@@H]1CCCN1C(=O)C#CC1CC1 ZINC000960615697 1318743703 /nfs/dbraw/zinc/74/37/03/1318743703.db2.gz YKKRLRAGRCNTLZ-HNNXBMFYSA-N 1 2 348.849 3.315 20 30 EGEDLO C=C[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccon1)c1ccccc1 ZINC000961036031 1319161048 /nfs/dbraw/zinc/16/10/48/1319161048.db2.gz WKQXGFUTSGTLPS-RBUKOAKNSA-N 1 2 339.439 3.067 20 30 EGEDLO C=C[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccon1)c1ccccc1 ZINC000961036031 1319161052 /nfs/dbraw/zinc/16/10/52/1319161052.db2.gz WKQXGFUTSGTLPS-RBUKOAKNSA-N 1 2 339.439 3.067 20 30 EGEDLO C=CCc1cc(C(=O)NCc2cc(C)[nH+]c(C)c2)cc(OC)c1OC ZINC000817458360 1319367893 /nfs/dbraw/zinc/36/78/93/1319367893.db2.gz DVYPLJLMLMUBFT-UHFFFAOYSA-N 1 2 340.423 3.374 20 30 EGEDLO C[C@H]1CCCC[C@@H]1NC(=S)NN=C1CCN(c2cccc[nH+]2)CC1 ZINC000915943763 1319568190 /nfs/dbraw/zinc/56/81/90/1319568190.db2.gz BGJMJSPKMYPSKJ-HOCLYGCPSA-N 1 2 345.516 3.081 20 30 EGEDLO S=C(NN=C1CCN(c2cccc[nH+]2)CC1)Nc1ccccc1 ZINC000915942962 1319568561 /nfs/dbraw/zinc/56/85/61/1319568561.db2.gz ONXWFCNMZGAXNV-UHFFFAOYSA-N 1 2 325.441 3.024 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000820630102 1319924770 /nfs/dbraw/zinc/92/47/70/1319924770.db2.gz RUWRLEOIXDWNOU-CQSZACIVSA-N 1 2 341.377 3.170 20 30 EGEDLO CCCCCCC[C@@H](C)CNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000839469558 1320926558 /nfs/dbraw/zinc/92/65/58/1320926558.db2.gz LFKMRNYBEAVUTN-OAHLLOKOSA-N 1 2 344.459 3.386 20 30 EGEDLO C#CCCCS(=O)(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000840948041 1321183815 /nfs/dbraw/zinc/18/38/15/1321183815.db2.gz PMSWWFOMLMIBQM-UHFFFAOYSA-N 1 2 343.452 3.042 20 30 EGEDLO C#CCC[N@@H+](CCOC)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000852752521 1323237157 /nfs/dbraw/zinc/23/71/57/1323237157.db2.gz BGLNROYUWFBTGZ-UHFFFAOYSA-N 1 2 345.468 3.149 20 30 EGEDLO C#CCC[N@H+](CCOC)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000852752521 1323237164 /nfs/dbraw/zinc/23/71/64/1323237164.db2.gz BGLNROYUWFBTGZ-UHFFFAOYSA-N 1 2 345.468 3.149 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001024326690 1323312358 /nfs/dbraw/zinc/31/23/58/1323312358.db2.gz NDJIJMMHQQYKCT-LSDHHAIUSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001024326690 1323312368 /nfs/dbraw/zinc/31/23/68/1323312368.db2.gz NDJIJMMHQQYKCT-LSDHHAIUSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cnoc1-c1ccco1 ZINC001024512107 1323461909 /nfs/dbraw/zinc/46/19/09/1323461909.db2.gz RKDYZNJQROTPNZ-ZDUSSCGKSA-N 1 2 349.818 3.271 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cnoc1-c1ccco1 ZINC001024512107 1323461922 /nfs/dbraw/zinc/46/19/22/1323461922.db2.gz RKDYZNJQROTPNZ-ZDUSSCGKSA-N 1 2 349.818 3.271 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(N(C)C)c1 ZINC001024776836 1323677467 /nfs/dbraw/zinc/67/74/67/1323677467.db2.gz AYNGSVRCMRAGMX-KRWDZBQOSA-N 1 2 335.879 3.089 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(N(C)C)c1 ZINC001024776836 1323677474 /nfs/dbraw/zinc/67/74/74/1323677474.db2.gz AYNGSVRCMRAGMX-KRWDZBQOSA-N 1 2 335.879 3.089 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(N(C)CC)cc1 ZINC001024824558 1323728410 /nfs/dbraw/zinc/72/84/10/1323728410.db2.gz LPPRWJIQURHJIG-SFHVURJKSA-N 1 2 349.906 3.480 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(N(C)CC)cc1 ZINC001024824558 1323728413 /nfs/dbraw/zinc/72/84/13/1323728413.db2.gz LPPRWJIQURHJIG-SFHVURJKSA-N 1 2 349.906 3.480 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nnc(C(C)C)o1 ZINC001025069582 1323870735 /nfs/dbraw/zinc/87/07/35/1323870735.db2.gz LVEXCSAZNIXJGE-DNVCBOLYSA-N 1 2 348.491 3.266 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc([S@](C)=O)cc1 ZINC000853422772 1325091166 /nfs/dbraw/zinc/09/11/66/1325091166.db2.gz SEFPBWIGBKNIMB-QHCPKHFHSA-N 1 2 328.437 3.223 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NCC1CN(C(=O)OC(C)(C)C)C1 ZINC000853460237 1325096807 /nfs/dbraw/zinc/09/68/07/1325096807.db2.gz HNGNCXDUMMCYIK-UHFFFAOYSA-N 1 2 345.443 3.153 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](CN2C[C@H](c3cccc(Cl)c3)CC2=O)C1 ZINC000853523462 1325113745 /nfs/dbraw/zinc/11/37/45/1325113745.db2.gz FATSCPFKXSFVPK-GDBMZVCRSA-N 1 2 331.847 3.239 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](CN2C[C@H](c3cccc(Cl)c3)CC2=O)C1 ZINC000853523462 1325113751 /nfs/dbraw/zinc/11/37/51/1325113751.db2.gz FATSCPFKXSFVPK-GDBMZVCRSA-N 1 2 331.847 3.239 20 30 EGEDLO C=CC[N@H+](CN1C[C@H](c2cccc(Cl)c2)CC1=O)[C@H](C)COC ZINC000853533698 1325117769 /nfs/dbraw/zinc/11/77/69/1325117769.db2.gz AOBVAXXDTZDAQN-GDBMZVCRSA-N 1 2 336.863 3.136 20 30 EGEDLO C=CC[N@@H+](CN1C[C@H](c2cccc(Cl)c2)CC1=O)[C@H](C)COC ZINC000853533698 1325117778 /nfs/dbraw/zinc/11/77/78/1325117778.db2.gz AOBVAXXDTZDAQN-GDBMZVCRSA-N 1 2 336.863 3.136 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2coc(C)c2)C1 ZINC001027381938 1325580712 /nfs/dbraw/zinc/58/07/12/1325580712.db2.gz KJTXDLAKJXGZJM-CQSZACIVSA-N 1 2 341.249 3.033 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)c2coc(C)c2)C1 ZINC001027381938 1325580718 /nfs/dbraw/zinc/58/07/18/1325580718.db2.gz KJTXDLAKJXGZJM-CQSZACIVSA-N 1 2 341.249 3.033 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC001027424585 1327657900 /nfs/dbraw/zinc/65/79/00/1327657900.db2.gz BLDMTKBOHONWGE-AWEZNQCLSA-N 1 2 339.867 3.185 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC001027424585 1327657908 /nfs/dbraw/zinc/65/79/08/1327657908.db2.gz BLDMTKBOHONWGE-AWEZNQCLSA-N 1 2 339.867 3.185 20 30 EGEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C[C@@H]1NC(=O)c1cccs1 ZINC000964834064 1327719851 /nfs/dbraw/zinc/71/98/51/1327719851.db2.gz GFKHDEPPROYAPU-DOMZBBRYSA-N 1 2 345.493 3.322 20 30 EGEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1NC(=O)c1cccs1 ZINC000964834064 1327719859 /nfs/dbraw/zinc/71/98/59/1327719859.db2.gz GFKHDEPPROYAPU-DOMZBBRYSA-N 1 2 345.493 3.322 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)C2(C)CCCC2)C1 ZINC001027511620 1327777528 /nfs/dbraw/zinc/77/75/28/1327777528.db2.gz CXOQYHNRWHFKCL-AWEZNQCLSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)C2(C)CCCC2)C1 ZINC001027511620 1327777534 /nfs/dbraw/zinc/77/75/34/1327777534.db2.gz CXOQYHNRWHFKCL-AWEZNQCLSA-N 1 2 343.309 3.398 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)[C@H](C)c2nc(C(C)C)no2)C1 ZINC001027520216 1327792033 /nfs/dbraw/zinc/79/20/33/1327792033.db2.gz IYMUBLUSRURPFV-CABCVRRESA-N 1 2 348.491 3.389 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([N@H+](C)[C@H](C)c2nc(C(C)C)no2)C1 ZINC001027520216 1327792037 /nfs/dbraw/zinc/79/20/37/1327792037.db2.gz IYMUBLUSRURPFV-CABCVRRESA-N 1 2 348.491 3.389 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)[C@@H](C)c2nc(C(C)C)no2)C1 ZINC001027520219 1327792252 /nfs/dbraw/zinc/79/22/52/1327792252.db2.gz IYMUBLUSRURPFV-LSDHHAIUSA-N 1 2 348.491 3.389 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)[C@@H](C)c2nc(C(C)C)no2)C1 ZINC001027520219 1327792265 /nfs/dbraw/zinc/79/22/65/1327792265.db2.gz IYMUBLUSRURPFV-LSDHHAIUSA-N 1 2 348.491 3.389 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC001027522235 1327796782 /nfs/dbraw/zinc/79/67/82/1327796782.db2.gz UVYWJOAVTIKWBQ-HNNXBMFYSA-N 1 2 333.476 3.433 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC001027522235 1327796789 /nfs/dbraw/zinc/79/67/89/1327796789.db2.gz UVYWJOAVTIKWBQ-HNNXBMFYSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2(C)CC=CC2)C1 ZINC001027557718 1327865554 /nfs/dbraw/zinc/86/55/54/1327865554.db2.gz QHDQQVJHTWIULC-CQSZACIVSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)C2(C)CC=CC2)C1 ZINC001027557718 1327865557 /nfs/dbraw/zinc/86/55/57/1327865557.db2.gz QHDQQVJHTWIULC-CQSZACIVSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@H](C)C2CC2)C1 ZINC001027695983 1328105023 /nfs/dbraw/zinc/10/50/23/1328105023.db2.gz KPIKWNHTKHVRHY-SWLSCSKDSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H](C)C2CC2)C1 ZINC001027695983 1328105027 /nfs/dbraw/zinc/10/50/27/1328105027.db2.gz KPIKWNHTKHVRHY-SWLSCSKDSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CCCCCC1 ZINC001027787344 1328223419 /nfs/dbraw/zinc/22/34/19/1328223419.db2.gz KYJGIAABUWKBCX-OAHLLOKOSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)C1CCCCCC1 ZINC001027787344 1328223427 /nfs/dbraw/zinc/22/34/27/1328223427.db2.gz KYJGIAABUWKBCX-OAHLLOKOSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccoc1C(F)(F)F ZINC001027907651 1328380089 /nfs/dbraw/zinc/38/00/89/1328380089.db2.gz AHILMTRQHVVEPL-JTQLQIEISA-N 1 2 336.741 3.245 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccoc1C(F)(F)F ZINC001027907651 1328380099 /nfs/dbraw/zinc/38/00/99/1328380099.db2.gz AHILMTRQHVVEPL-JTQLQIEISA-N 1 2 336.741 3.245 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C1C2CC3CC(C2)CC1C3 ZINC001027933524 1328412527 /nfs/dbraw/zinc/41/25/27/1328412527.db2.gz YOZXCXXGJHZVQR-NFSPANSCSA-N 1 2 336.907 3.392 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C1C2CC3CC(C2)CC1C3 ZINC001027933524 1328412531 /nfs/dbraw/zinc/41/25/31/1328412531.db2.gz YOZXCXXGJHZVQR-NFSPANSCSA-N 1 2 336.907 3.392 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2cnco2)cc1 ZINC001027973620 1328449396 /nfs/dbraw/zinc/44/93/96/1328449396.db2.gz VLJOOSPSBXIHQV-INIZCTEOSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2cnco2)cc1 ZINC001027973620 1328449402 /nfs/dbraw/zinc/44/94/02/1328449402.db2.gz VLJOOSPSBXIHQV-INIZCTEOSA-N 1 2 345.830 3.288 20 30 EGEDLO Fc1ccc(N[NH+]=Cc2cnc(N3CCOCC3)s2)cc1Cl ZINC000863178739 1329532107 /nfs/dbraw/zinc/53/21/07/1329532107.db2.gz CLOWPNUXZQQRJZ-UHFFFAOYSA-N 1 2 340.811 3.218 20 30 EGEDLO C#CC[N@@H+](CC(=O)N(C)c1nccs1)[C@H]1CCCc2ccccc21 ZINC000933421170 1329888416 /nfs/dbraw/zinc/88/84/16/1329888416.db2.gz DPWVIEKEXIONRB-KRWDZBQOSA-N 1 2 339.464 3.119 20 30 EGEDLO C#CC[N@H+](CC(=O)N(C)c1nccs1)[C@H]1CCCc2ccccc21 ZINC000933421170 1329888417 /nfs/dbraw/zinc/88/84/17/1329888417.db2.gz DPWVIEKEXIONRB-KRWDZBQOSA-N 1 2 339.464 3.119 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCCCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001063225395 1351763577 /nfs/dbraw/zinc/76/35/77/1351763577.db2.gz VEDQAHSPUAFQGU-KRWDZBQOSA-N 1 2 328.460 3.007 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccsc2)C[C@H]1C ZINC000947000061 1332963815 /nfs/dbraw/zinc/96/38/15/1332963815.db2.gz FPGHYKNVHRMUQC-YPMHNXCESA-N 1 2 343.290 3.239 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccsc2)C[C@H]1C ZINC000947000061 1332963816 /nfs/dbraw/zinc/96/38/16/1332963816.db2.gz FPGHYKNVHRMUQC-YPMHNXCESA-N 1 2 343.290 3.239 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2cocc2C)C[C@H]1C ZINC000947624027 1333196696 /nfs/dbraw/zinc/19/66/96/1333196696.db2.gz GFWXTFLAFAFUHD-CHWSQXEVSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2cocc2C)C[C@H]1C ZINC000947624027 1333196698 /nfs/dbraw/zinc/19/66/98/1333196698.db2.gz GFWXTFLAFAFUHD-CHWSQXEVSA-N 1 2 341.249 3.079 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C)c(C)o1 ZINC000948906475 1333728243 /nfs/dbraw/zinc/72/82/43/1333728243.db2.gz NHBJHUGKUKRKGL-LJQANCHMSA-N 1 2 336.435 3.249 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C)c(C)o1 ZINC000948906475 1333728247 /nfs/dbraw/zinc/72/82/47/1333728247.db2.gz NHBJHUGKUKRKGL-LJQANCHMSA-N 1 2 336.435 3.249 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cccc(C)c1F ZINC000948916040 1333733358 /nfs/dbraw/zinc/73/33/58/1333733358.db2.gz LFUSKKWLJMUPQJ-LJQANCHMSA-N 1 2 336.410 3.097 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cccc(C)c1F ZINC000948916040 1333733359 /nfs/dbraw/zinc/73/33/59/1333733359.db2.gz LFUSKKWLJMUPQJ-LJQANCHMSA-N 1 2 336.410 3.097 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCCCC1(F)F ZINC000948940283 1333741681 /nfs/dbraw/zinc/74/16/81/1333741681.db2.gz GPYTUQUUGYDREO-QZTJIDSGSA-N 1 2 346.421 3.161 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCCCC1(F)F ZINC000948940283 1333741684 /nfs/dbraw/zinc/74/16/84/1333741684.db2.gz GPYTUQUUGYDREO-QZTJIDSGSA-N 1 2 346.421 3.161 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000948940173 1333741749 /nfs/dbraw/zinc/74/17/49/1333741749.db2.gz FKPOHGIHRHTJCC-WERVVEIQSA-N 1 2 336.479 3.162 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000948940173 1333741750 /nfs/dbraw/zinc/74/17/50/1333741750.db2.gz FKPOHGIHRHTJCC-WERVVEIQSA-N 1 2 336.479 3.162 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2c3ccccc3CC[N@H+]2CCF)CC1 ZINC000948954669 1333746479 /nfs/dbraw/zinc/74/64/79/1333746479.db2.gz OIHBAGLAZQRZIM-IBGZPJMESA-N 1 2 330.447 3.418 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2c3ccccc3CC[N@@H+]2CCF)CC1 ZINC000948954669 1333746480 /nfs/dbraw/zinc/74/64/80/1333746480.db2.gz OIHBAGLAZQRZIM-IBGZPJMESA-N 1 2 330.447 3.418 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1occc1Cl ZINC000948955125 1333746681 /nfs/dbraw/zinc/74/66/81/1333746681.db2.gz SFSZZLIIPMYBSU-INIZCTEOSA-N 1 2 330.815 3.448 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1occc1Cl ZINC000948955125 1333746683 /nfs/dbraw/zinc/74/66/83/1333746683.db2.gz SFSZZLIIPMYBSU-INIZCTEOSA-N 1 2 330.815 3.448 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCC(F)(F)C1 ZINC000948958914 1333748741 /nfs/dbraw/zinc/74/87/41/1333748741.db2.gz RISDQQDFQFGJNC-WMZOPIPTSA-N 1 2 346.421 3.161 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCC(F)(F)C1 ZINC000948958914 1333748744 /nfs/dbraw/zinc/74/87/44/1333748744.db2.gz RISDQQDFQFGJNC-WMZOPIPTSA-N 1 2 346.421 3.161 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1csc(Cl)c1 ZINC000948966232 1333750328 /nfs/dbraw/zinc/75/03/28/1333750328.db2.gz WUDMFSFZLQQBPS-INIZCTEOSA-N 1 2 344.867 3.364 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1csc(Cl)c1 ZINC000948966232 1333750334 /nfs/dbraw/zinc/75/03/34/1333750334.db2.gz WUDMFSFZLQQBPS-INIZCTEOSA-N 1 2 344.867 3.364 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cccc2c1CCC2 ZINC000948987252 1333761023 /nfs/dbraw/zinc/76/10/23/1333761023.db2.gz VPPKEYPSEBHNNQ-QFIPXVFZSA-N 1 2 344.458 3.138 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cccc2c1CCC2 ZINC000948987252 1333761025 /nfs/dbraw/zinc/76/10/25/1333761025.db2.gz VPPKEYPSEBHNNQ-QFIPXVFZSA-N 1 2 344.458 3.138 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC2(CC1)C[N@H+](C[C@@H](F)CC)CCO2 ZINC000949463477 1333854196 /nfs/dbraw/zinc/85/41/96/1333854196.db2.gz NUJJHZASPHYZHH-WMZOPIPTSA-N 1 2 340.483 3.030 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC2(CC1)C[N@@H+](C[C@@H](F)CC)CCO2 ZINC000949463477 1333854201 /nfs/dbraw/zinc/85/42/01/1333854201.db2.gz NUJJHZASPHYZHH-WMZOPIPTSA-N 1 2 340.483 3.030 20 30 EGEDLO Cc1cccc(CCC(=O)N2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000949522917 1333867414 /nfs/dbraw/zinc/86/74/14/1333867414.db2.gz COSGFRPYCBRDAV-UHFFFAOYSA-N 1 2 347.462 3.144 20 30 EGEDLO C#Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCc4ccc(F)cc43)CC2)cc1 ZINC000949597499 1333881404 /nfs/dbraw/zinc/88/14/04/1333881404.db2.gz ZKCOECUIWIIAMJ-OAQYLSRUSA-N 1 2 348.421 3.252 20 30 EGEDLO C=C1CCC(C(=O)N2CC[NH+](Cc3cccc(OC)c3)CC2)CC1 ZINC000950023002 1333993810 /nfs/dbraw/zinc/99/38/10/1333993810.db2.gz JTAYEYWJVATGDW-UHFFFAOYSA-N 1 2 328.456 3.086 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2c(C)occ2C(F)(F)F)C1 ZINC000950894345 1334147966 /nfs/dbraw/zinc/14/79/66/1334147966.db2.gz LTZBLVWGFRFIOQ-UHFFFAOYSA-N 1 2 330.350 3.329 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cn(C)c3ccccc23)C1 ZINC000967272524 1335681966 /nfs/dbraw/zinc/68/19/66/1335681966.db2.gz BVVPXSYDBPNMON-SUMWQHHRSA-N 1 2 345.874 3.371 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cn(C)c3ccccc23)C1 ZINC000967272524 1335681969 /nfs/dbraw/zinc/68/19/69/1335681969.db2.gz BVVPXSYDBPNMON-SUMWQHHRSA-N 1 2 345.874 3.371 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H](Nc3cc[nH+]c(C)n3)[C@H](C)C2)CC1 ZINC001063792761 1352011491 /nfs/dbraw/zinc/01/14/91/1352011491.db2.gz YNVHDBGZYGVYIZ-PBHICJAKSA-N 1 2 328.460 3.180 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c(C)cc(C)nc2C)C1 ZINC000967414556 1335730897 /nfs/dbraw/zinc/73/08/97/1335730897.db2.gz LBMDRMMRBTUQFV-BZNIZROVSA-N 1 2 335.879 3.200 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c(C)cc(C)nc2C)C1 ZINC000967414556 1335730901 /nfs/dbraw/zinc/73/09/01/1335730901.db2.gz LBMDRMMRBTUQFV-BZNIZROVSA-N 1 2 335.879 3.200 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnc3ccsc3c2)C1 ZINC000967777456 1335814810 /nfs/dbraw/zinc/81/48/10/1335814810.db2.gz ISGRQLMHXOMLTK-NHYWBVRUSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnc3ccsc3c2)C1 ZINC000967777456 1335814813 /nfs/dbraw/zinc/81/48/13/1335814813.db2.gz ISGRQLMHXOMLTK-NHYWBVRUSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](Cc3ncoc3C(C)C)CC[C@H]2C)C1 ZINC000968273723 1335881911 /nfs/dbraw/zinc/88/19/11/1335881911.db2.gz IZBWBVXHLPIQMI-CVEARBPZSA-N 1 2 345.487 3.481 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](Cc3ncoc3C(C)C)CC[C@H]2C)C1 ZINC000968273723 1335881914 /nfs/dbraw/zinc/88/19/14/1335881914.db2.gz IZBWBVXHLPIQMI-CVEARBPZSA-N 1 2 345.487 3.481 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2ccc(CC)cc2)C1 ZINC000968364866 1335904663 /nfs/dbraw/zinc/90/46/63/1335904663.db2.gz KSVJKYXRNNZMTG-KDOFPFPSSA-N 1 2 334.891 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2ccc(CC)cc2)C1 ZINC000968364866 1335904668 /nfs/dbraw/zinc/90/46/68/1335904668.db2.gz KSVJKYXRNNZMTG-KDOFPFPSSA-N 1 2 334.891 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3ccccn3c2)C1 ZINC000968381893 1335911421 /nfs/dbraw/zinc/91/14/21/1335911421.db2.gz GYDZCORWHZDVKY-DYVFJYSZSA-N 1 2 331.847 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3ccccn3c2)C1 ZINC000968381893 1335911424 /nfs/dbraw/zinc/91/14/24/1335911424.db2.gz GYDZCORWHZDVKY-DYVFJYSZSA-N 1 2 331.847 3.132 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc3c2ccn3C)C1 ZINC000968423188 1335925755 /nfs/dbraw/zinc/92/57/55/1335925755.db2.gz PGEAAMBVJLANAA-CXAGYDPISA-N 1 2 345.874 3.371 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc3c2ccn3C)C1 ZINC000968423188 1335925758 /nfs/dbraw/zinc/92/57/58/1335925758.db2.gz PGEAAMBVJLANAA-CXAGYDPISA-N 1 2 345.874 3.371 20 30 EGEDLO C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc3cc(C)ccc3s2)C1 ZINC000968489919 1335939605 /nfs/dbraw/zinc/93/96/05/1335939605.db2.gz WUUAVEZAHDLYJJ-GOEBONIOSA-N 1 2 326.465 3.283 20 30 EGEDLO C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc3cc(C)ccc3s2)C1 ZINC000968489919 1335939609 /nfs/dbraw/zinc/93/96/09/1335939609.db2.gz WUUAVEZAHDLYJJ-GOEBONIOSA-N 1 2 326.465 3.283 20 30 EGEDLO C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc3cc(F)ccc3s2)C1 ZINC000968641007 1335993445 /nfs/dbraw/zinc/99/34/45/1335993445.db2.gz WMYFBXNINUFEHW-SWLSCSKDSA-N 1 2 330.428 3.114 20 30 EGEDLO C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc3cc(F)ccc3s2)C1 ZINC000968641007 1335993450 /nfs/dbraw/zinc/99/34/50/1335993450.db2.gz WMYFBXNINUFEHW-SWLSCSKDSA-N 1 2 330.428 3.114 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1csnc1C ZINC000968822460 1336060810 /nfs/dbraw/zinc/06/08/10/1336060810.db2.gz XROYHURBEZGQNA-ZDUSSCGKSA-N 1 2 327.881 3.178 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1csnc1C ZINC000968822460 1336060815 /nfs/dbraw/zinc/06/08/15/1336060815.db2.gz XROYHURBEZGQNA-ZDUSSCGKSA-N 1 2 327.881 3.178 20 30 EGEDLO C[C@@H](NC(=O)C1CC(C)(C)C1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969611636 1336228837 /nfs/dbraw/zinc/22/88/37/1336228837.db2.gz FDMYFWIBVCRYOR-CYBMUJFWSA-N 1 2 343.446 3.070 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([NH2+]Cc3ncc(C(C)(C)C)o3)C2)C1 ZINC000969883786 1336257153 /nfs/dbraw/zinc/25/71/53/1336257153.db2.gz YRYFOPXMQMWRGO-CQSZACIVSA-N 1 2 331.460 3.019 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(Cl)cc2C)C1 ZINC000970365912 1336298739 /nfs/dbraw/zinc/29/87/39/1336298739.db2.gz HVHSGSNUOMAWKP-GFCCVEGCSA-N 1 2 327.255 3.451 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2c(C)cccc2Cl)C1 ZINC000970374784 1336299358 /nfs/dbraw/zinc/29/93/58/1336299358.db2.gz WOPUEDLEDUWHRM-LBPRGKRZSA-N 1 2 327.255 3.451 20 30 EGEDLO C=C1CCC(C(=O)N[C@H](C)C2C[NH+](Cc3ncoc3C(C)C)C2)CC1 ZINC000970375114 1336299923 /nfs/dbraw/zinc/29/99/23/1336299923.db2.gz APKCHFZDWOYQKZ-OAHLLOKOSA-N 1 2 345.487 3.481 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnc3ccc(F)cc3c2)C1 ZINC000970690746 1336333603 /nfs/dbraw/zinc/33/36/03/1336333603.db2.gz UVJYZNWEMLBNRQ-GFCCVEGCSA-N 1 2 347.821 3.177 20 30 EGEDLO C[C@@H]1C[C@H]1CC(=O)N(C)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001005932280 1336424578 /nfs/dbraw/zinc/42/45/78/1336424578.db2.gz XCBXECBUNKKBDD-ZBFHGGJFSA-N 1 2 343.446 3.166 20 30 EGEDLO C=C1CCC(C(=O)N(C)C2CC[NH+]([C@H](C)c3nnc(C)o3)CC2)CC1 ZINC001005937615 1336426295 /nfs/dbraw/zinc/42/62/95/1336426295.db2.gz OWKAFTXELWGHSS-CQSZACIVSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2CC[NH+]([C@@H](C)c3nnc(C)s3)CC2)C1 ZINC001005962953 1336430551 /nfs/dbraw/zinc/43/05/51/1336430551.db2.gz CZAWXVYGQBYIEC-ZDUSSCGKSA-N 1 2 348.516 3.187 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1)C1CCC1 ZINC001007597706 1336675223 /nfs/dbraw/zinc/67/52/23/1336675223.db2.gz SMPVWONHWFBDFI-KDOFPFPSSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1)C1CCC1 ZINC001007597706 1336675226 /nfs/dbraw/zinc/67/52/26/1336675226.db2.gz SMPVWONHWFBDFI-KDOFPFPSSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)c2cc(C)ccn2)C1 ZINC001007619985 1336679180 /nfs/dbraw/zinc/67/91/80/1336679180.db2.gz SQLFFDHMAKBBQW-OAHLLOKOSA-N 1 2 335.879 3.001 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)c2cc(C)ccn2)C1 ZINC001007619985 1336679181 /nfs/dbraw/zinc/67/91/81/1336679181.db2.gz SQLFFDHMAKBBQW-OAHLLOKOSA-N 1 2 335.879 3.001 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc3cccnc3c2)C1 ZINC001007624061 1336679943 /nfs/dbraw/zinc/67/99/43/1336679943.db2.gz ZGCAOFUEMHNNME-QGZVFWFLSA-N 1 2 343.858 3.110 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2ccc3cccnc3c2)C1 ZINC001007624061 1336679945 /nfs/dbraw/zinc/67/99/45/1336679945.db2.gz ZGCAOFUEMHNNME-QGZVFWFLSA-N 1 2 343.858 3.110 20 30 EGEDLO CCc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)o1 ZINC001007665848 1336686324 /nfs/dbraw/zinc/68/63/24/1336686324.db2.gz NAXQTIREEJRZTL-CYBMUJFWSA-N 1 2 343.452 3.170 20 30 EGEDLO CCc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)o1 ZINC001007665848 1336686326 /nfs/dbraw/zinc/68/63/26/1336686326.db2.gz NAXQTIREEJRZTL-CYBMUJFWSA-N 1 2 343.452 3.170 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccnc3ccccc32)C1 ZINC001007843378 1336715236 /nfs/dbraw/zinc/71/52/36/1336715236.db2.gz DVANXKDICGEWHU-CQSZACIVSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccnc3ccccc32)C1 ZINC001007843378 1336715237 /nfs/dbraw/zinc/71/52/37/1336715237.db2.gz DVANXKDICGEWHU-CQSZACIVSA-N 1 2 329.831 3.182 20 30 EGEDLO CC1(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)CCCC1 ZINC001008109720 1336771419 /nfs/dbraw/zinc/77/14/19/1336771419.db2.gz QAOCXQNYHAGHST-KRWDZBQOSA-N 1 2 343.446 3.358 20 30 EGEDLO CC1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)CCCC1 ZINC001008109720 1336771422 /nfs/dbraw/zinc/77/14/22/1336771422.db2.gz QAOCXQNYHAGHST-KRWDZBQOSA-N 1 2 343.446 3.358 20 30 EGEDLO C[C@@]1(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)C=CCC1 ZINC001008230610 1336799252 /nfs/dbraw/zinc/79/92/52/1336799252.db2.gz MDJMOSVEGHVTMH-FXAWDEMLSA-N 1 2 341.430 3.134 20 30 EGEDLO C[C@@]1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)C=CCC1 ZINC001008230610 1336799255 /nfs/dbraw/zinc/79/92/55/1336799255.db2.gz MDJMOSVEGHVTMH-FXAWDEMLSA-N 1 2 341.430 3.134 20 30 EGEDLO CCc1ccoc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001008435018 1336852235 /nfs/dbraw/zinc/85/22/35/1336852235.db2.gz WLEMUZQGEBPETC-AWEZNQCLSA-N 1 2 343.452 3.170 20 30 EGEDLO CCc1ccoc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001008435018 1336852237 /nfs/dbraw/zinc/85/22/37/1336852237.db2.gz WLEMUZQGEBPETC-AWEZNQCLSA-N 1 2 343.452 3.170 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(F)cc(F)c3)C2)C1 ZINC001008437521 1336853457 /nfs/dbraw/zinc/85/34/57/1336853457.db2.gz NRPGZYNNZPLFJK-QGZVFWFLSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(F)cc(F)c3)C2)C1 ZINC001008437521 1336853462 /nfs/dbraw/zinc/85/34/62/1336853462.db2.gz NRPGZYNNZPLFJK-QGZVFWFLSA-N 1 2 334.410 3.402 20 30 EGEDLO C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1)c1ccco1 ZINC001008512070 1336873765 /nfs/dbraw/zinc/87/37/65/1336873765.db2.gz OWHAHPTUQDMBKO-YJBOKZPZSA-N 1 2 337.423 3.036 20 30 EGEDLO C[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1)c1ccco1 ZINC001008512070 1336873769 /nfs/dbraw/zinc/87/37/69/1336873769.db2.gz OWHAHPTUQDMBKO-YJBOKZPZSA-N 1 2 337.423 3.036 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(OCC)c(C)c2)C1 ZINC001008729242 1336917956 /nfs/dbraw/zinc/91/79/56/1336917956.db2.gz VXYLFJHNZSZXIN-MRXNPFEDSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(OCC)c(C)c2)C1 ZINC001008729242 1336917957 /nfs/dbraw/zinc/91/79/57/1336917957.db2.gz VXYLFJHNZSZXIN-MRXNPFEDSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc3nc(C)ccc3c2)C1 ZINC001008958575 1336947474 /nfs/dbraw/zinc/94/74/74/1336947474.db2.gz XOWUKOBKRBUVJX-KRWDZBQOSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3nc(C)ccc3c2)C1 ZINC001008958575 1336947475 /nfs/dbraw/zinc/94/74/75/1336947475.db2.gz XOWUKOBKRBUVJX-KRWDZBQOSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc(OC)c(Cl)c2)C1 ZINC001009454951 1337026624 /nfs/dbraw/zinc/02/66/24/1337026624.db2.gz OKDHQGYIOMRFIM-ZDUSSCGKSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(OC)c(Cl)c2)C1 ZINC001009454951 1337026627 /nfs/dbraw/zinc/02/66/27/1337026627.db2.gz OKDHQGYIOMRFIM-ZDUSSCGKSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C)c2ccc(F)cc2F)C1 ZINC001009586357 1337041893 /nfs/dbraw/zinc/04/18/93/1337041893.db2.gz KAWNWIKDYULAQA-JSGCOSHPSA-N 1 2 342.817 3.401 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)c2ccc(F)cc2F)C1 ZINC001009586357 1337041897 /nfs/dbraw/zinc/04/18/97/1337041897.db2.gz KAWNWIKDYULAQA-JSGCOSHPSA-N 1 2 342.817 3.401 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cccc(C(F)F)c2)C1 ZINC001015244886 1338070548 /nfs/dbraw/zinc/07/05/48/1338070548.db2.gz DHXFFSXXLPIFRG-CQSZACIVSA-N 1 2 328.790 3.110 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cccc(C(F)F)c2)C1 ZINC001015244886 1338070549 /nfs/dbraw/zinc/07/05/49/1338070549.db2.gz DHXFFSXXLPIFRG-CQSZACIVSA-N 1 2 328.790 3.110 20 30 EGEDLO CC(C)(C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1)C1CCC1 ZINC001015410853 1338130272 /nfs/dbraw/zinc/13/02/72/1338130272.db2.gz YVGZHOAQHIFMBX-KRWDZBQOSA-N 1 2 343.446 3.214 20 30 EGEDLO CC(C)(C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1)C1CCC1 ZINC001015410853 1338130277 /nfs/dbraw/zinc/13/02/77/1338130277.db2.gz YVGZHOAQHIFMBX-KRWDZBQOSA-N 1 2 343.446 3.214 20 30 EGEDLO CC(C)(C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1)C1CCC1 ZINC001015410854 1338130509 /nfs/dbraw/zinc/13/05/09/1338130509.db2.gz YVGZHOAQHIFMBX-QGZVFWFLSA-N 1 2 343.446 3.214 20 30 EGEDLO CC(C)(C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1)C1CCC1 ZINC001015410854 1338130512 /nfs/dbraw/zinc/13/05/12/1338130512.db2.gz YVGZHOAQHIFMBX-QGZVFWFLSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(F)cc(F)c3)C2)CC1 ZINC001015659899 1338238270 /nfs/dbraw/zinc/23/82/70/1338238270.db2.gz NGMZJXFUZRUWGQ-GOSISDBHSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cc(F)cc(F)c3)C2)CC1 ZINC001015659899 1338238275 /nfs/dbraw/zinc/23/82/75/1338238275.db2.gz NGMZJXFUZRUWGQ-GOSISDBHSA-N 1 2 334.410 3.402 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001015687817 1338259997 /nfs/dbraw/zinc/25/99/97/1338259997.db2.gz SFTITHGXEIBXJR-RHSMWYFYSA-N 1 2 347.409 3.074 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001015687817 1338259998 /nfs/dbraw/zinc/25/99/98/1338259998.db2.gz SFTITHGXEIBXJR-RHSMWYFYSA-N 1 2 347.409 3.074 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@]2(C)CCCc3ccccc32)C1 ZINC001015854461 1338334983 /nfs/dbraw/zinc/33/49/83/1338334983.db2.gz FBVAUHFNANUHIE-VQIMIIECSA-N 1 2 332.875 3.224 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)CCCc3ccccc32)C1 ZINC001015854461 1338334985 /nfs/dbraw/zinc/33/49/85/1338334985.db2.gz FBVAUHFNANUHIE-VQIMIIECSA-N 1 2 332.875 3.224 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2OCC(C)C)C1 ZINC001015863019 1338338402 /nfs/dbraw/zinc/33/84/02/1338338402.db2.gz SHRVXOQGRQFXQP-OAHLLOKOSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2OCC(C)C)C1 ZINC001015863019 1338338405 /nfs/dbraw/zinc/33/84/05/1338338405.db2.gz SHRVXOQGRQFXQP-OAHLLOKOSA-N 1 2 336.863 3.278 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1)C1CCCC1 ZINC001015973627 1338386035 /nfs/dbraw/zinc/38/60/35/1338386035.db2.gz PNUUXKZAAJWOCU-RDTXWAMCSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1)C1CCCC1 ZINC001015973627 1338386038 /nfs/dbraw/zinc/38/60/38/1338386038.db2.gz PNUUXKZAAJWOCU-RDTXWAMCSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1)C1CCCC1 ZINC001015972614 1338386397 /nfs/dbraw/zinc/38/63/97/1338386397.db2.gz LYXBDUSABRXJLH-KXBFYZLASA-N 1 2 325.456 3.075 20 30 EGEDLO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1)C1CCCC1 ZINC001015972614 1338386399 /nfs/dbraw/zinc/38/63/99/1338386399.db2.gz LYXBDUSABRXJLH-KXBFYZLASA-N 1 2 325.456 3.075 20 30 EGEDLO CC(C)(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1)c1ccccc1 ZINC001016206026 1338506970 /nfs/dbraw/zinc/50/69/70/1338506970.db2.gz VWKWXKXLCIBJKZ-HXUWFJFHSA-N 1 2 347.462 3.227 20 30 EGEDLO CC(C)(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1)c1ccccc1 ZINC001016206026 1338506975 /nfs/dbraw/zinc/50/69/75/1338506975.db2.gz VWKWXKXLCIBJKZ-HXUWFJFHSA-N 1 2 347.462 3.227 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)sc1C ZINC001016209564 1338509592 /nfs/dbraw/zinc/50/95/92/1338509592.db2.gz CGVZCEFQDJCSNO-GOSISDBHSA-N 1 2 338.476 3.221 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)sc1C ZINC001016209564 1338509596 /nfs/dbraw/zinc/50/95/96/1338509596.db2.gz CGVZCEFQDJCSNO-GOSISDBHSA-N 1 2 338.476 3.221 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2F)c1 ZINC001017304531 1339325373 /nfs/dbraw/zinc/32/53/73/1339325373.db2.gz JLBDEZWVRFGANO-HDICACEKSA-N 1 2 349.409 3.186 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2F)c1 ZINC001017304531 1339325376 /nfs/dbraw/zinc/32/53/76/1339325376.db2.gz JLBDEZWVRFGANO-HDICACEKSA-N 1 2 349.409 3.186 20 30 EGEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc(C(C)(C)C)cs1 ZINC001017633528 1339379577 /nfs/dbraw/zinc/37/95/77/1339379577.db2.gz AYPCWMLKPPIULV-OKILXGFUSA-N 1 2 333.501 3.306 20 30 EGEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc(C(C)(C)C)cs1 ZINC001017633528 1339379580 /nfs/dbraw/zinc/37/95/80/1339379580.db2.gz AYPCWMLKPPIULV-OKILXGFUSA-N 1 2 333.501 3.306 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001017697721 1339394021 /nfs/dbraw/zinc/39/40/21/1339394021.db2.gz DZWGNLSPGTVHCA-XUWVNRHRSA-N 1 2 342.405 3.054 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001017697721 1339394023 /nfs/dbraw/zinc/39/40/23/1339394023.db2.gz DZWGNLSPGTVHCA-XUWVNRHRSA-N 1 2 342.405 3.054 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc(C(F)(F)F)c1 ZINC001017703781 1339395369 /nfs/dbraw/zinc/39/53/69/1339395369.db2.gz CHIGQEKNOSIRLI-BETUJISGSA-N 1 2 342.386 3.079 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc(C(F)(F)F)c1 ZINC001017703781 1339395370 /nfs/dbraw/zinc/39/53/70/1339395370.db2.gz CHIGQEKNOSIRLI-BETUJISGSA-N 1 2 342.386 3.079 20 30 EGEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2ncccc2s1 ZINC001017789158 1339421411 /nfs/dbraw/zinc/42/14/11/1339421411.db2.gz HBFYLOBROICTRT-OKILXGFUSA-N 1 2 327.453 3.161 20 30 EGEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2ncccc2s1 ZINC001017789158 1339421414 /nfs/dbraw/zinc/42/14/14/1339421414.db2.gz HBFYLOBROICTRT-OKILXGFUSA-N 1 2 327.453 3.161 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc2c1CC[C@@H](C)C2 ZINC001018236243 1339543792 /nfs/dbraw/zinc/54/37/92/1339543792.db2.gz DKCKJSGYXKWIRY-OAGGEKHMSA-N 1 2 342.508 3.185 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc2c1CC[C@@H](C)C2 ZINC001018236243 1339543797 /nfs/dbraw/zinc/54/37/97/1339543797.db2.gz DKCKJSGYXKWIRY-OAGGEKHMSA-N 1 2 342.508 3.185 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001028080128 1340412817 /nfs/dbraw/zinc/41/28/17/1340412817.db2.gz UASYYXRZQLQJJI-QZTJIDSGSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001028080128 1340412820 /nfs/dbraw/zinc/41/28/20/1340412820.db2.gz UASYYXRZQLQJJI-QZTJIDSGSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC)cc1Cl ZINC001028204578 1340482938 /nfs/dbraw/zinc/48/29/38/1340482938.db2.gz YOHLEDLKPDOZGB-GFCCVEGCSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC)cc1Cl ZINC001028204578 1340482941 /nfs/dbraw/zinc/48/29/41/1340482941.db2.gz YOHLEDLKPDOZGB-GFCCVEGCSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cncc(C(F)(F)F)c1 ZINC001028242136 1340503268 /nfs/dbraw/zinc/50/32/68/1340503268.db2.gz CKFDHFUTSISROF-ZDUSSCGKSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cncc(C(F)(F)F)c1 ZINC001028242136 1340503271 /nfs/dbraw/zinc/50/32/71/1340503271.db2.gz CKFDHFUTSISROF-ZDUSSCGKSA-N 1 2 347.768 3.047 20 30 EGEDLO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1)C(C)(C)C ZINC001029360803 1340977452 /nfs/dbraw/zinc/97/74/52/1340977452.db2.gz MCBLFJSZHBTVAS-YSIASYRMSA-N 1 2 338.495 3.396 20 30 EGEDLO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1)C(C)(C)C ZINC001029360803 1340977454 /nfs/dbraw/zinc/97/74/54/1340977454.db2.gz MCBLFJSZHBTVAS-YSIASYRMSA-N 1 2 338.495 3.396 20 30 EGEDLO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1)C(C)(C)C ZINC001029360802 1340977519 /nfs/dbraw/zinc/97/75/19/1340977519.db2.gz MCBLFJSZHBTVAS-RLLQIKCJSA-N 1 2 338.495 3.396 20 30 EGEDLO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1)C(C)(C)C ZINC001029360802 1340977520 /nfs/dbraw/zinc/97/75/20/1340977520.db2.gz MCBLFJSZHBTVAS-RLLQIKCJSA-N 1 2 338.495 3.396 20 30 EGEDLO O=C(N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1)C12CCC(CC1)C2 ZINC001029362086 1340977970 /nfs/dbraw/zinc/97/79/70/1340977970.db2.gz CRIXZASKRKKSHH-FXONQQHQSA-N 1 2 348.490 3.294 20 30 EGEDLO O=C(N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1)C12CCC(CC1)C2 ZINC001029362086 1340977971 /nfs/dbraw/zinc/97/79/71/1340977971.db2.gz CRIXZASKRKKSHH-FXONQQHQSA-N 1 2 348.490 3.294 20 30 EGEDLO CC1(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccc(F)cc2)CC1 ZINC001029395035 1340983183 /nfs/dbraw/zinc/98/31/83/1340983183.db2.gz IPSQVBMVUZDHDH-KDURUIRLSA-N 1 2 340.442 3.043 20 30 EGEDLO CC1(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccc(F)cc2)CC1 ZINC001029395035 1340983184 /nfs/dbraw/zinc/98/31/84/1340983184.db2.gz IPSQVBMVUZDHDH-KDURUIRLSA-N 1 2 340.442 3.043 20 30 EGEDLO O=C(C[C@@H]1CC=CCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029423871 1340986777 /nfs/dbraw/zinc/98/67/77/1340986777.db2.gz JFMKMSURTUJFHA-VSKRKVRLSA-N 1 2 348.490 3.460 20 30 EGEDLO O=C(C[C@@H]1CC=CCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029423871 1340986778 /nfs/dbraw/zinc/98/67/78/1340986778.db2.gz JFMKMSURTUJFHA-VSKRKVRLSA-N 1 2 348.490 3.460 20 30 EGEDLO C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C#N)s2)C=CCC1 ZINC001029429449 1340988238 /nfs/dbraw/zinc/98/82/38/1340988238.db2.gz XDVLNWRSPQBQPZ-ZRGWGRIASA-N 1 2 341.480 3.151 20 30 EGEDLO C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)s2)C=CCC1 ZINC001029429449 1340988239 /nfs/dbraw/zinc/98/82/39/1340988239.db2.gz XDVLNWRSPQBQPZ-ZRGWGRIASA-N 1 2 341.480 3.151 20 30 EGEDLO C=CCOc1ccc(C(=O)NC2C[NH+]([C@H](C)c3ccccc3)C2)cc1 ZINC001030541610 1341196214 /nfs/dbraw/zinc/19/62/14/1341196214.db2.gz ULNKSKSYFPERFM-MRXNPFEDSA-N 1 2 336.435 3.427 20 30 EGEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cscc1Cl ZINC001031752106 1341396741 /nfs/dbraw/zinc/39/67/41/1341396741.db2.gz XPKCISGWYYALNP-UHFFFAOYSA-N 1 2 344.867 3.115 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC001031801611 1341403732 /nfs/dbraw/zinc/40/37/32/1341403732.db2.gz CWSWTOFWKFLNRW-OLZOCXBDSA-N 1 2 338.801 3.156 20 30 EGEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3sccc3Cl)C2)cc1 ZINC001031892642 1341417879 /nfs/dbraw/zinc/41/78/79/1341417879.db2.gz MWNCUYNRAGTHQI-UHFFFAOYSA-N 1 2 344.867 3.245 20 30 EGEDLO CC1(C)CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001031959847 1341432248 /nfs/dbraw/zinc/43/22/48/1341432248.db2.gz GMQKBMFMNXZEGP-MRXNPFEDSA-N 1 2 343.446 3.072 20 30 EGEDLO C[C@H]1CC[C@@H](C(=O)NCC2C[NH+](CC#Cc3cccc(Cl)c3)C2)C1 ZINC001032027238 1341441754 /nfs/dbraw/zinc/44/17/54/1341441754.db2.gz NZDSOSUPFFCEMK-MAUKXSAKSA-N 1 2 344.886 3.176 20 30 EGEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1ccccc1Cl ZINC001032145119 1341462863 /nfs/dbraw/zinc/46/28/63/1341462863.db2.gz QHJGDJBZCXEUQA-UHFFFAOYSA-N 1 2 338.838 3.053 20 30 EGEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2ccc(Cl)s2)C1 ZINC001032169964 1341467738 /nfs/dbraw/zinc/46/77/38/1341467738.db2.gz KGXWIUHVCVGYLJ-UHFFFAOYSA-N 1 2 345.855 3.135 20 30 EGEDLO Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)cs1 ZINC001032683383 1341581308 /nfs/dbraw/zinc/58/13/08/1341581308.db2.gz AJRLGXBNONCYLI-ROUUACIJSA-N 1 2 337.448 3.027 20 30 EGEDLO Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)cs1 ZINC001032683383 1341581311 /nfs/dbraw/zinc/58/13/11/1341581311.db2.gz AJRLGXBNONCYLI-ROUUACIJSA-N 1 2 337.448 3.027 20 30 EGEDLO CC1=CC[C@](C)(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)CC1 ZINC001032793442 1341615262 /nfs/dbraw/zinc/61/52/62/1341615262.db2.gz CZCQOOLZNPIFCF-ONTIZHBOSA-N 1 2 349.478 3.480 20 30 EGEDLO CC1=CC[C@](C)(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)CC1 ZINC001032793442 1341615263 /nfs/dbraw/zinc/61/52/63/1341615263.db2.gz CZCQOOLZNPIFCF-ONTIZHBOSA-N 1 2 349.478 3.480 20 30 EGEDLO CN(C(=O)c1cccs1)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001032877127 1341646910 /nfs/dbraw/zinc/64/69/10/1341646910.db2.gz SNNLKIZGQFHUHP-LBPRGKRZSA-N 1 2 331.466 3.028 20 30 EGEDLO CN(C(=O)c1cccs1)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001032877127 1341646911 /nfs/dbraw/zinc/64/69/11/1341646911.db2.gz SNNLKIZGQFHUHP-LBPRGKRZSA-N 1 2 331.466 3.028 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)CC2=CCCCC2)C1 ZINC001032963548 1341678600 /nfs/dbraw/zinc/67/86/00/1341678600.db2.gz LWKXLLHNCDSQBQ-OAHLLOKOSA-N 1 2 341.293 3.318 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)CC2=CCCCC2)C1 ZINC001032963548 1341678601 /nfs/dbraw/zinc/67/86/01/1341678601.db2.gz LWKXLLHNCDSQBQ-OAHLLOKOSA-N 1 2 341.293 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc3ccc(C)nc32)C1 ZINC001033179765 1341746979 /nfs/dbraw/zinc/74/69/79/1341746979.db2.gz CUIPDWJPMLIFFA-INIZCTEOSA-N 1 2 343.858 3.442 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3ccc(C)nc32)C1 ZINC001033179765 1341746982 /nfs/dbraw/zinc/74/69/82/1341746982.db2.gz CUIPDWJPMLIFFA-INIZCTEOSA-N 1 2 343.858 3.442 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2coc3ccc(OC)cc23)C1 ZINC001033254072 1341759377 /nfs/dbraw/zinc/75/93/77/1341759377.db2.gz ZKCAXJHEFFZAPE-CYBMUJFWSA-N 1 2 348.830 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2coc3ccc(OC)cc23)C1 ZINC001033254072 1341759378 /nfs/dbraw/zinc/75/93/78/1341759378.db2.gz ZKCAXJHEFFZAPE-CYBMUJFWSA-N 1 2 348.830 3.340 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2ccc3cnccc3c2)C1 ZINC001033261034 1341761980 /nfs/dbraw/zinc/76/19/80/1341761980.db2.gz CUWPNTWFTMIRQC-SFHVURJKSA-N 1 2 343.858 3.063 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc3cnccc3c2)C1 ZINC001033261034 1341761982 /nfs/dbraw/zinc/76/19/82/1341761982.db2.gz CUWPNTWFTMIRQC-SFHVURJKSA-N 1 2 343.858 3.063 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2c(C)[nH]c3ccccc32)C1 ZINC001033389107 1341808095 /nfs/dbraw/zinc/80/80/95/1341808095.db2.gz WGVVRCLQSIRQRI-HNNXBMFYSA-N 1 2 345.874 3.304 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c(C)[nH]c3ccccc32)C1 ZINC001033389107 1341808100 /nfs/dbraw/zinc/80/81/00/1341808100.db2.gz WGVVRCLQSIRQRI-HNNXBMFYSA-N 1 2 345.874 3.304 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccncc3Cl)C2)C1 ZINC001033394866 1341811413 /nfs/dbraw/zinc/81/14/13/1341811413.db2.gz AHWWJKUZGHSMHF-OAHLLOKOSA-N 1 2 333.863 3.124 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccncc3Cl)C2)C1 ZINC001033394866 1341811415 /nfs/dbraw/zinc/81/14/15/1341811415.db2.gz AHWWJKUZGHSMHF-OAHLLOKOSA-N 1 2 333.863 3.124 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)c(OCC)c2)C1 ZINC001033474386 1341840782 /nfs/dbraw/zinc/84/07/82/1341840782.db2.gz QYDLJHDETKFHOG-MRXNPFEDSA-N 1 2 336.863 3.293 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)c(OCC)c2)C1 ZINC001033474386 1341840783 /nfs/dbraw/zinc/84/07/83/1341840783.db2.gz QYDLJHDETKFHOG-MRXNPFEDSA-N 1 2 336.863 3.293 20 30 EGEDLO CN(C(=O)C1(F)CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033560262 1341872662 /nfs/dbraw/zinc/87/26/62/1341872662.db2.gz YBSPLKMZTKMXAW-GOSISDBHSA-N 1 2 343.446 3.263 20 30 EGEDLO CN(C(=O)C1(F)CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033560262 1341872664 /nfs/dbraw/zinc/87/26/64/1341872664.db2.gz YBSPLKMZTKMXAW-GOSISDBHSA-N 1 2 343.446 3.263 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C)nc3ccccc32)C1 ZINC001033635596 1341918503 /nfs/dbraw/zinc/91/85/03/1341918503.db2.gz LOIMBUCRGWNLQD-OAHLLOKOSA-N 1 2 343.858 3.442 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)nc3ccccc32)C1 ZINC001033635596 1341918508 /nfs/dbraw/zinc/91/85/08/1341918508.db2.gz LOIMBUCRGWNLQD-OAHLLOKOSA-N 1 2 343.858 3.442 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccc3c(c2)CCC3)C1 ZINC001033650752 1341928992 /nfs/dbraw/zinc/92/89/92/1341928992.db2.gz UYAGXXYUQALPMX-GOSISDBHSA-N 1 2 332.875 3.003 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc3c(c2)CCC3)C1 ZINC001033650752 1341928997 /nfs/dbraw/zinc/92/89/97/1341928997.db2.gz UYAGXXYUQALPMX-GOSISDBHSA-N 1 2 332.875 3.003 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(F)c(F)c2)C1 ZINC001033856781 1342046970 /nfs/dbraw/zinc/04/69/70/1342046970.db2.gz WKCUESSBPHCRCC-ZDUSSCGKSA-N 1 2 328.790 3.254 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(F)c(F)c2)C1 ZINC001033856781 1342046972 /nfs/dbraw/zinc/04/69/72/1342046972.db2.gz WKCUESSBPHCRCC-ZDUSSCGKSA-N 1 2 328.790 3.254 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(F)c(OC)c2)C1 ZINC001033962037 1342115388 /nfs/dbraw/zinc/11/53/88/1342115388.db2.gz PVYICYLKJSEQSA-AWEZNQCLSA-N 1 2 340.826 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(F)c(OC)c2)C1 ZINC001033962037 1342115389 /nfs/dbraw/zinc/11/53/89/1342115389.db2.gz PVYICYLKJSEQSA-AWEZNQCLSA-N 1 2 340.826 3.123 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccncc2Cl)C1 ZINC001033964407 1342116579 /nfs/dbraw/zinc/11/65/79/1342116579.db2.gz JQEGYGDQLMOWLG-LBPRGKRZSA-N 1 2 328.243 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccncc2Cl)C1 ZINC001033964407 1342116580 /nfs/dbraw/zinc/11/65/80/1342116580.db2.gz JQEGYGDQLMOWLG-LBPRGKRZSA-N 1 2 328.243 3.024 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3c(c2)COC3)C1 ZINC001033985993 1342131240 /nfs/dbraw/zinc/13/12/40/1342131240.db2.gz KZRDXHVZZOTUHH-KRWDZBQOSA-N 1 2 334.847 3.006 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3c(c2)COC3)C1 ZINC001033985993 1342131243 /nfs/dbraw/zinc/13/12/43/1342131243.db2.gz KZRDXHVZZOTUHH-KRWDZBQOSA-N 1 2 334.847 3.006 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3ccccc3O2)C1 ZINC001033991750 1342133970 /nfs/dbraw/zinc/13/39/70/1342133970.db2.gz LMVWLNFFNRDIKG-SJLPKXTDSA-N 1 2 348.874 3.056 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3ccccc3O2)C1 ZINC001033991750 1342133971 /nfs/dbraw/zinc/13/39/71/1342133971.db2.gz LMVWLNFFNRDIKG-SJLPKXTDSA-N 1 2 348.874 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(C3CC3)cn2)C1 ZINC001034035208 1342174271 /nfs/dbraw/zinc/17/42/71/1342174271.db2.gz KFDVSXSEVRCFHX-INIZCTEOSA-N 1 2 333.863 3.248 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C3CC3)cn2)C1 ZINC001034035208 1342174274 /nfs/dbraw/zinc/17/42/74/1342174274.db2.gz KFDVSXSEVRCFHX-INIZCTEOSA-N 1 2 333.863 3.248 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@@H](NC(=O)C=C2CCC2)C1 ZINC001034157991 1342280982 /nfs/dbraw/zinc/28/09/82/1342280982.db2.gz DORLCPVUAHGMRX-LJQANCHMSA-N 1 2 341.430 3.278 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H](NC(=O)C=C2CCC2)C1 ZINC001034157991 1342280985 /nfs/dbraw/zinc/28/09/85/1342280985.db2.gz DORLCPVUAHGMRX-LJQANCHMSA-N 1 2 341.430 3.278 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cccc3c2COCC3)C1 ZINC001034240434 1342341160 /nfs/dbraw/zinc/34/11/60/1342341160.db2.gz IKNSKQNFVOOHQL-INIZCTEOSA-N 1 2 348.874 3.096 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cccc3c2COCC3)C1 ZINC001034240434 1342341164 /nfs/dbraw/zinc/34/11/64/1342341164.db2.gz IKNSKQNFVOOHQL-INIZCTEOSA-N 1 2 348.874 3.096 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccc3nc(C)oc3c2)C1 ZINC001034253445 1342348534 /nfs/dbraw/zinc/34/85/34/1342348534.db2.gz KBECGHCRXLZKIY-HNNXBMFYSA-N 1 2 347.846 3.473 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc3nc(C)oc3c2)C1 ZINC001034253445 1342348536 /nfs/dbraw/zinc/34/85/36/1342348536.db2.gz KBECGHCRXLZKIY-HNNXBMFYSA-N 1 2 347.846 3.473 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc3ncccc3o2)C1 ZINC001034316863 1342394838 /nfs/dbraw/zinc/39/48/38/1342394838.db2.gz YKVCFZSDWJSAEP-CYBMUJFWSA-N 1 2 333.819 3.165 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cc3ncccc3o2)C1 ZINC001034316863 1342394841 /nfs/dbraw/zinc/39/48/41/1342394841.db2.gz YKVCFZSDWJSAEP-CYBMUJFWSA-N 1 2 333.819 3.165 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@@H+]([C@@H](C)c3nc(CC)no3)C2)C1 ZINC001034387788 1342456639 /nfs/dbraw/zinc/45/66/39/1342456639.db2.gz VUYMAOTXTHUULH-GJZGRUSLSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@H+]([C@@H](C)c3nc(CC)no3)C2)C1 ZINC001034387788 1342456640 /nfs/dbraw/zinc/45/66/40/1342456640.db2.gz VUYMAOTXTHUULH-GJZGRUSLSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC001034466877 1342521826 /nfs/dbraw/zinc/52/18/26/1342521826.db2.gz IOCYOGJFDKPPOF-HNNXBMFYSA-N 1 2 346.862 3.208 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC001034466877 1342521829 /nfs/dbraw/zinc/52/18/29/1342521829.db2.gz IOCYOGJFDKPPOF-HNNXBMFYSA-N 1 2 346.862 3.208 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cc3nc(C)ccc3o2)C1 ZINC001034497847 1342554106 /nfs/dbraw/zinc/55/41/06/1342554106.db2.gz HFEOXJYPEXNPTR-CQSZACIVSA-N 1 2 347.846 3.473 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc3nc(C)ccc3o2)C1 ZINC001034497847 1342554108 /nfs/dbraw/zinc/55/41/08/1342554108.db2.gz HFEOXJYPEXNPTR-CQSZACIVSA-N 1 2 347.846 3.473 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C2CCC(CCCC)CC2)C1 ZINC001035597869 1343097715 /nfs/dbraw/zinc/09/77/15/1343097715.db2.gz PMFBNZWQRLLEJQ-CTWPCTMYSA-N 1 2 336.520 3.376 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C2CCC(CCCC)CC2)C1 ZINC001035597869 1343097719 /nfs/dbraw/zinc/09/77/19/1343097719.db2.gz PMFBNZWQRLLEJQ-CTWPCTMYSA-N 1 2 336.520 3.376 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)Cc1ccccc1CC)CC2 ZINC001035730022 1343156704 /nfs/dbraw/zinc/15/67/04/1343156704.db2.gz LXMVLFUEGQSDEQ-UHFFFAOYSA-N 1 2 346.902 3.468 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccc(C)c(OC)c1)CC2 ZINC001035745929 1343166142 /nfs/dbraw/zinc/16/61/42/1343166142.db2.gz QXNVQDHFXLLJKX-UHFFFAOYSA-N 1 2 348.874 3.294 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC2(C[NH+](Cc3nocc3C)C2)CC1 ZINC001035784514 1343195650 /nfs/dbraw/zinc/19/56/50/1343195650.db2.gz GWVCSHCJIKASET-GOSISDBHSA-N 1 2 331.460 3.010 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](F)c1ccccc1)CC2 ZINC001035804039 1343206460 /nfs/dbraw/zinc/20/64/60/1343206460.db2.gz FJPPXQJTEZEJGZ-INIZCTEOSA-N 1 2 336.838 3.374 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[C@H](C)c1ccco1)CC2 ZINC001035837915 1343220374 /nfs/dbraw/zinc/22/03/74/1343220374.db2.gz HUVXFKWVDDJNDR-AWEZNQCLSA-N 1 2 336.863 3.450 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)Cc1ccccc1C)CC2 ZINC001035849878 1343229701 /nfs/dbraw/zinc/22/97/01/1343229701.db2.gz KNNUZJBVOSWYQO-UHFFFAOYSA-N 1 2 332.875 3.214 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccc(CF)cc1)CC2 ZINC001035860321 1343236224 /nfs/dbraw/zinc/23/62/24/1343236224.db2.gz JMFOVINPVUJRNY-UHFFFAOYSA-N 1 2 336.838 3.447 20 30 EGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1Cl ZINC001038265455 1344349174 /nfs/dbraw/zinc/34/91/74/1344349174.db2.gz FGJFYRGZZURQDM-NUJGCVRESA-N 1 2 348.874 3.012 20 30 EGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1Cl ZINC001038265455 1344349175 /nfs/dbraw/zinc/34/91/75/1344349175.db2.gz FGJFYRGZZURQDM-NUJGCVRESA-N 1 2 348.874 3.012 20 30 EGEDLO CC1=C(C)C[C@H](C(=O)NC[C@H]2CC[N@@H+]2CC#Cc2ccccc2)CC1 ZINC001038290295 1344361027 /nfs/dbraw/zinc/36/10/27/1344361027.db2.gz VGICYGBHJVSMFZ-NHCUHLMSSA-N 1 2 336.479 3.365 20 30 EGEDLO CC1=C(C)C[C@H](C(=O)NC[C@H]2CC[N@H+]2CC#Cc2ccccc2)CC1 ZINC001038290295 1344361035 /nfs/dbraw/zinc/36/10/35/1344361035.db2.gz VGICYGBHJVSMFZ-NHCUHLMSSA-N 1 2 336.479 3.365 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2CCC=CCCC2)s1 ZINC001038404163 1344413763 /nfs/dbraw/zinc/41/37/63/1344413763.db2.gz YFXFKOQOUZFLSX-JKSUJKDBSA-N 1 2 343.496 3.447 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CCC=CCCC2)s1 ZINC001038404163 1344413765 /nfs/dbraw/zinc/41/37/65/1344413765.db2.gz YFXFKOQOUZFLSX-JKSUJKDBSA-N 1 2 343.496 3.447 20 30 EGEDLO Cc1oc(C)c(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)c1C ZINC001038483096 1344445522 /nfs/dbraw/zinc/44/55/22/1344445522.db2.gz DTXOEQAHFUSLQX-SFHVURJKSA-N 1 2 337.423 3.081 20 30 EGEDLO Cc1oc(C)c(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)c1C ZINC001038483096 1344445524 /nfs/dbraw/zinc/44/55/24/1344445524.db2.gz DTXOEQAHFUSLQX-SFHVURJKSA-N 1 2 337.423 3.081 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(OC)c(F)c2)CC1 ZINC001038663120 1344529011 /nfs/dbraw/zinc/52/90/11/1344529011.db2.gz YKHOOSBLXCGAFN-QGZVFWFLSA-N 1 2 346.446 3.271 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(OC)c(F)c2)CC1 ZINC001038663120 1344529014 /nfs/dbraw/zinc/52/90/14/1344529014.db2.gz YKHOOSBLXCGAFN-QGZVFWFLSA-N 1 2 346.446 3.271 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccc(Cl)cc2)c1 ZINC001038955851 1344680160 /nfs/dbraw/zinc/68/01/60/1344680160.db2.gz ZVFXZNVNWWSCSP-SFHVURJKSA-N 1 2 339.826 3.216 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccc(Cl)cc2)c1 ZINC001038955851 1344680168 /nfs/dbraw/zinc/68/01/68/1344680168.db2.gz ZVFXZNVNWWSCSP-SFHVURJKSA-N 1 2 339.826 3.216 20 30 EGEDLO C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001039131450 1344809576 /nfs/dbraw/zinc/80/95/76/1344809576.db2.gz MLAYQIVRRGOOAZ-KGLIPLIRSA-N 1 2 336.373 3.023 20 30 EGEDLO C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001039131450 1344809577 /nfs/dbraw/zinc/80/95/77/1344809577.db2.gz MLAYQIVRRGOOAZ-KGLIPLIRSA-N 1 2 336.373 3.023 20 30 EGEDLO C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](F)C(F)(F)F)CC2)C1 ZINC001039131450 1344809578 /nfs/dbraw/zinc/80/95/78/1344809578.db2.gz MLAYQIVRRGOOAZ-KGLIPLIRSA-N 1 2 336.373 3.023 20 30 EGEDLO C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](F)C(F)(F)F)CC2)C1 ZINC001039131450 1344809580 /nfs/dbraw/zinc/80/95/80/1344809580.db2.gz MLAYQIVRRGOOAZ-KGLIPLIRSA-N 1 2 336.373 3.023 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCCC1 ZINC001039320091 1345012012 /nfs/dbraw/zinc/01/20/12/1345012012.db2.gz GJUICEAMSXLSKO-CABCVRRESA-N 1 2 341.293 3.151 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCCC1 ZINC001039320091 1345012016 /nfs/dbraw/zinc/01/20/16/1345012016.db2.gz GJUICEAMSXLSKO-CABCVRRESA-N 1 2 341.293 3.151 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)nc(C)c1 ZINC001039381509 1345036536 /nfs/dbraw/zinc/03/65/36/1345036536.db2.gz PVNSSTHYICSDFW-SJORKVTESA-N 1 2 333.863 3.130 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)nc(C)c1 ZINC001039381509 1345036540 /nfs/dbraw/zinc/03/65/40/1345036540.db2.gz PVNSSTHYICSDFW-SJORKVTESA-N 1 2 333.863 3.130 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nc(C)sc1C ZINC001039392830 1345042012 /nfs/dbraw/zinc/04/20/12/1345042012.db2.gz HFOMDVPMTMYRMA-KGLIPLIRSA-N 1 2 339.892 3.191 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nc(C)sc1C ZINC001039392830 1345042015 /nfs/dbraw/zinc/04/20/15/1345042015.db2.gz HFOMDVPMTMYRMA-KGLIPLIRSA-N 1 2 339.892 3.191 20 30 EGEDLO CC[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001039514909 1345124661 /nfs/dbraw/zinc/12/46/61/1345124661.db2.gz IQDPPQRAEBKHRH-ZYSHUDEJSA-N 1 2 325.456 3.170 20 30 EGEDLO CC[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001039514909 1345124664 /nfs/dbraw/zinc/12/46/64/1345124664.db2.gz IQDPPQRAEBKHRH-ZYSHUDEJSA-N 1 2 325.456 3.170 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)CC)C[C@@H]21 ZINC001042207160 1345985795 /nfs/dbraw/zinc/98/57/95/1345985795.db2.gz MSIKOILPMNDTMS-KGLIPLIRSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)CC)C[C@@H]21 ZINC001042207160 1345985798 /nfs/dbraw/zinc/98/57/98/1345985798.db2.gz MSIKOILPMNDTMS-KGLIPLIRSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3nc(C)c(C)s3)C[C@H]21 ZINC001042360634 1346054810 /nfs/dbraw/zinc/05/48/10/1346054810.db2.gz WBHUEOCGNBRHHT-ZIAGYGMSSA-N 1 2 339.892 3.049 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3nc(C)c(C)s3)C[C@H]21 ZINC001042360634 1346054811 /nfs/dbraw/zinc/05/48/11/1346054811.db2.gz WBHUEOCGNBRHHT-ZIAGYGMSSA-N 1 2 339.892 3.049 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(F)s3)C[C@H]21 ZINC001042373454 1346062195 /nfs/dbraw/zinc/06/21/95/1346062195.db2.gz GLMLNSWNWRBHMX-NWDGAFQWSA-N 1 2 328.840 3.176 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(F)s3)C[C@H]21 ZINC001042373454 1346062197 /nfs/dbraw/zinc/06/21/97/1346062197.db2.gz GLMLNSWNWRBHMX-NWDGAFQWSA-N 1 2 328.840 3.176 20 30 EGEDLO CC(C)c1cc(N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC001043099342 1346139747 /nfs/dbraw/zinc/13/97/47/1346139747.db2.gz PJJYHSXURVZSHO-SQWLQELKSA-N 1 2 343.475 3.142 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](CCCc3c(F)cccc3F)C2)C1 ZINC001043810995 1346212502 /nfs/dbraw/zinc/21/25/02/1346212502.db2.gz MZEZUSVFWWYGIW-UHFFFAOYSA-N 1 2 348.437 3.396 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)o1 ZINC001079543471 1357295860 /nfs/dbraw/zinc/29/58/60/1357295860.db2.gz CJCCEUHOLCPIFX-RDTXWAMCSA-N 1 2 337.423 3.018 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)o1 ZINC001079543471 1357295862 /nfs/dbraw/zinc/29/58/62/1357295862.db2.gz CJCCEUHOLCPIFX-RDTXWAMCSA-N 1 2 337.423 3.018 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)oc1C ZINC001079574956 1357312109 /nfs/dbraw/zinc/31/21/09/1357312109.db2.gz FEJRYZWYHHYTCO-RDTXWAMCSA-N 1 2 337.423 3.018 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)oc1C ZINC001079574956 1357312115 /nfs/dbraw/zinc/31/21/15/1357312115.db2.gz FEJRYZWYHHYTCO-RDTXWAMCSA-N 1 2 337.423 3.018 20 30 EGEDLO C=C1CCC(C(=O)NC2(C)CC[NH+](Cc3coc(C)n3)CC2)CC1 ZINC001045546279 1346626388 /nfs/dbraw/zinc/62/63/88/1346626388.db2.gz QNHICXQDKYXAIV-UHFFFAOYSA-N 1 2 331.460 3.200 20 30 EGEDLO C=C1CCC(C(=O)NC2(C)CC[NH+](Cc3nccn3CC)CC2)CC1 ZINC001045546303 1346626423 /nfs/dbraw/zinc/62/64/23/1346626423.db2.gz QTLQCYRUPDEVRS-UHFFFAOYSA-N 1 2 344.503 3.120 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@H]2C[C@@H]2C(C)C)CC1 ZINC001045604019 1346642327 /nfs/dbraw/zinc/64/23/27/1346642327.db2.gz MZBKLZUNNCJJIE-KGLIPLIRSA-N 1 2 343.309 3.158 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1nnc(C)s1 ZINC001045827555 1346710611 /nfs/dbraw/zinc/71/06/11/1346710611.db2.gz OBDFGHQBJMQUJO-CFVMTHIKSA-N 1 2 348.516 3.185 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1nnc(C)s1 ZINC001045827555 1346710614 /nfs/dbraw/zinc/71/06/14/1346710614.db2.gz OBDFGHQBJMQUJO-CFVMTHIKSA-N 1 2 348.516 3.185 20 30 EGEDLO C[C@@]1(NC(=O)C2CCCCC2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046105285 1346844706 /nfs/dbraw/zinc/84/47/06/1346844706.db2.gz HKCSZDGYJAUBGI-HXUWFJFHSA-N 1 2 343.446 3.358 20 30 EGEDLO C[C@@]1(NC(=O)C2CCCCC2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046105285 1346844713 /nfs/dbraw/zinc/84/47/13/1346844713.db2.gz HKCSZDGYJAUBGI-HXUWFJFHSA-N 1 2 343.446 3.358 20 30 EGEDLO C[C@]1(NC(=O)[C@H]2CC=CCC2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046137800 1346865117 /nfs/dbraw/zinc/86/51/17/1346865117.db2.gz OPPGWQMROMDEAR-YWZLYKJASA-N 1 2 341.430 3.134 20 30 EGEDLO C[C@]1(NC(=O)[C@H]2CC=CCC2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046137800 1346865119 /nfs/dbraw/zinc/86/51/19/1346865119.db2.gz OPPGWQMROMDEAR-YWZLYKJASA-N 1 2 341.430 3.134 20 30 EGEDLO C=CCOc1ccc(C(=O)N[C@]2(C)CC[N@H+](CC(=C)Cl)C2)cc1 ZINC001046429442 1346973538 /nfs/dbraw/zinc/97/35/38/1346973538.db2.gz RUYDMWQLJJIPSJ-GOSISDBHSA-N 1 2 334.847 3.198 20 30 EGEDLO C=CCOc1ccc(C(=O)N[C@]2(C)CC[N@@H+](CC(=C)Cl)C2)cc1 ZINC001046429442 1346973541 /nfs/dbraw/zinc/97/35/41/1346973541.db2.gz RUYDMWQLJJIPSJ-GOSISDBHSA-N 1 2 334.847 3.198 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001046526951 1347005073 /nfs/dbraw/zinc/00/50/73/1347005073.db2.gz FFBDNPBPWNJFMC-SFHVURJKSA-N 1 2 331.847 3.423 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001046526951 1347005075 /nfs/dbraw/zinc/00/50/75/1347005075.db2.gz FFBDNPBPWNJFMC-SFHVURJKSA-N 1 2 331.847 3.423 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(F)c3ccncc23)C1 ZINC001046564179 1347019607 /nfs/dbraw/zinc/01/96/07/1347019607.db2.gz ATYUMCTYTHZXNL-GOSISDBHSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(F)c3ccncc23)C1 ZINC001046564179 1347019609 /nfs/dbraw/zinc/01/96/09/1347019609.db2.gz ATYUMCTYTHZXNL-GOSISDBHSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001046609178 1347038198 /nfs/dbraw/zinc/03/81/98/1347038198.db2.gz UCYVQWVRUQKHBR-CZUORRHYSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001046609178 1347038199 /nfs/dbraw/zinc/03/81/99/1347038199.db2.gz UCYVQWVRUQKHBR-CZUORRHYSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)CCC2(C)CC2)CC[C@H]1C ZINC001132397809 1375352275 /nfs/dbraw/zinc/35/22/75/1375352275.db2.gz WVCIVYRXTIWREC-KGLIPLIRSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)CCC2(C)CC2)CC[C@H]1C ZINC001132397809 1375352277 /nfs/dbraw/zinc/35/22/77/1375352277.db2.gz WVCIVYRXTIWREC-KGLIPLIRSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001079758574 1357371338 /nfs/dbraw/zinc/37/13/38/1357371338.db2.gz MFMLZTFQYQEQSB-XPKDYRNWSA-N 1 2 341.293 3.078 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001079758574 1357371342 /nfs/dbraw/zinc/37/13/42/1357371342.db2.gz MFMLZTFQYQEQSB-XPKDYRNWSA-N 1 2 341.293 3.078 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3Cc2ncc(CC)o2)C1 ZINC001049709693 1347985244 /nfs/dbraw/zinc/98/52/44/1347985244.db2.gz RUPXPIJNFNLZBE-IAGOWNOFSA-N 1 2 343.471 3.159 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3Cc2ncc(CC)o2)C1 ZINC001049709693 1347985246 /nfs/dbraw/zinc/98/52/46/1347985246.db2.gz RUPXPIJNFNLZBE-IAGOWNOFSA-N 1 2 343.471 3.159 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C(C)C)no1 ZINC001049766494 1348010181 /nfs/dbraw/zinc/01/01/81/1348010181.db2.gz LRAKWWPILZBPAU-GJZGRUSLSA-N 1 2 337.851 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C(C)C)no1 ZINC001049766494 1348010183 /nfs/dbraw/zinc/01/01/83/1348010183.db2.gz LRAKWWPILZBPAU-GJZGRUSLSA-N 1 2 337.851 3.229 20 30 EGEDLO CC[C@H](C)C(=O)N1CCC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001049979896 1348143624 /nfs/dbraw/zinc/14/36/24/1348143624.db2.gz VNUAXCXKUQUJFO-URLQWDBASA-N 1 2 343.446 3.166 20 30 EGEDLO CC[C@H](C)C(=O)N1CCC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001049979896 1348143626 /nfs/dbraw/zinc/14/36/26/1348143626.db2.gz VNUAXCXKUQUJFO-URLQWDBASA-N 1 2 343.446 3.166 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccccc1CCC)O2 ZINC001053630249 1349081037 /nfs/dbraw/zinc/08/10/37/1349081037.db2.gz IYQSIZHJGLSKGA-SFHVURJKSA-N 1 2 342.483 3.178 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c(C)cccc1Cl)O2 ZINC001053657011 1349087116 /nfs/dbraw/zinc/08/71/16/1349087116.db2.gz DXCRDEMPWWIUFG-OAHLLOKOSA-N 1 2 348.874 3.188 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(C(C)C)cc1)O2 ZINC001053689726 1349092528 /nfs/dbraw/zinc/09/25/28/1349092528.db2.gz ANPIKVCLYZCGGB-IBGZPJMESA-N 1 2 342.483 3.349 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c(C)cc(C)cc1C)O2 ZINC001053694385 1349095135 /nfs/dbraw/zinc/09/51/35/1349095135.db2.gz NCGHCBNOCBVISR-SFHVURJKSA-N 1 2 342.483 3.151 20 30 EGEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccoc1Cl ZINC001054038560 1349134906 /nfs/dbraw/zinc/13/49/06/1349134906.db2.gz FPXICROZEFZKKP-INIZCTEOSA-N 1 2 342.826 3.113 20 30 EGEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccoc1Cl ZINC001054038560 1349134907 /nfs/dbraw/zinc/13/49/07/1349134907.db2.gz FPXICROZEFZKKP-INIZCTEOSA-N 1 2 342.826 3.113 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc2ccsc2[nH]1 ZINC001054049389 1349137965 /nfs/dbraw/zinc/13/79/65/1349137965.db2.gz WJYNUTLFIUGEBZ-QGZVFWFLSA-N 1 2 349.459 3.019 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc2ccsc2[nH]1 ZINC001054049389 1349137967 /nfs/dbraw/zinc/13/79/67/1349137967.db2.gz WJYNUTLFIUGEBZ-QGZVFWFLSA-N 1 2 349.459 3.019 20 30 EGEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001054053091 1349140389 /nfs/dbraw/zinc/14/03/89/1349140389.db2.gz MBBQTZBCKVDCNS-KCZVDYSFSA-N 1 2 336.479 3.133 20 30 EGEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001054053091 1349140392 /nfs/dbraw/zinc/14/03/92/1349140392.db2.gz MBBQTZBCKVDCNS-KCZVDYSFSA-N 1 2 336.479 3.133 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@]2(CC[N@@H+]([C@@H](C)c3csnn3)C2)C1 ZINC001054174803 1349175830 /nfs/dbraw/zinc/17/58/30/1349175830.db2.gz AGBHROANQOCIPM-KSSFIOAISA-N 1 2 348.516 3.126 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@]2(CC[N@H+]([C@@H](C)c3csnn3)C2)C1 ZINC001054174803 1349175831 /nfs/dbraw/zinc/17/58/31/1349175831.db2.gz AGBHROANQOCIPM-KSSFIOAISA-N 1 2 348.516 3.126 20 30 EGEDLO C[C@@H]1C[C@H]1C(=O)NCc1ccc2c(c1)C[N@@H+](CC#Cc1ccccc1)C2 ZINC001054253889 1349248918 /nfs/dbraw/zinc/24/89/18/1349248918.db2.gz KCOHYGAXIGGFLV-VGOFRKELSA-N 1 2 344.458 3.326 20 30 EGEDLO C[C@@H]1C[C@H]1C(=O)NCc1ccc2c(c1)C[N@H+](CC#Cc1ccccc1)C2 ZINC001054253889 1349248920 /nfs/dbraw/zinc/24/89/20/1349248920.db2.gz KCOHYGAXIGGFLV-VGOFRKELSA-N 1 2 344.458 3.326 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cnc4ccsc4c3)cc2C1 ZINC001054275774 1349276013 /nfs/dbraw/zinc/27/60/13/1349276013.db2.gz DAIUBYTVDZSMHJ-UHFFFAOYSA-N 1 2 347.443 3.175 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cnc4ccsc4c3)cc2C1 ZINC001054275774 1349276016 /nfs/dbraw/zinc/27/60/16/1349276016.db2.gz DAIUBYTVDZSMHJ-UHFFFAOYSA-N 1 2 347.443 3.175 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)C3CC(c4ccccc4)C3)cc2C1 ZINC001054293209 1349300033 /nfs/dbraw/zinc/30/00/33/1349300033.db2.gz VQQBGLSDKRPBQS-UHFFFAOYSA-N 1 2 344.458 3.445 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)C3CC(c4ccccc4)C3)cc2C1 ZINC001054293209 1349300035 /nfs/dbraw/zinc/30/00/35/1349300035.db2.gz VQQBGLSDKRPBQS-UHFFFAOYSA-N 1 2 344.458 3.445 20 30 EGEDLO C=C1CCC(C(=O)N2CCN(c3cc(C)[nH+]c(C4CC4)n3)CC2)CC1 ZINC001055999255 1349712934 /nfs/dbraw/zinc/71/29/34/1349712934.db2.gz DBNVFKRKUSURAA-UHFFFAOYSA-N 1 2 340.471 3.057 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001056999421 1349971262 /nfs/dbraw/zinc/97/12/62/1349971262.db2.gz INJUWSJZYAYPBM-INIZCTEOSA-N 1 2 330.476 3.041 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001057400219 1350032382 /nfs/dbraw/zinc/03/23/82/1350032382.db2.gz URHHHDFWRKXDMR-UHFFFAOYSA-N 1 2 342.487 3.279 20 30 EGEDLO Cc1cc(N[C@H](C)C2CCN(C(=O)[C@@H](C)C#N)CC2)nc(C(C)C)[nH+]1 ZINC001061827844 1351374379 /nfs/dbraw/zinc/37/43/79/1351374379.db2.gz WYJZWJQKWVMZGG-DZGCQCFKSA-N 1 2 343.475 3.107 20 30 EGEDLO C#Cc1ccc(C(=O)N(C)C2CCC(Nc3cc[nH+]c(C)n3)CC2)cc1 ZINC001067913902 1353581733 /nfs/dbraw/zinc/58/17/33/1353581733.db2.gz QEGINCJDWPDLIO-UHFFFAOYSA-N 1 2 348.450 3.262 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1)C(=O)C1CCC1 ZINC001085452277 1358505834 /nfs/dbraw/zinc/50/58/34/1358505834.db2.gz LXQHZDCJRZKALD-GOSISDBHSA-N 1 2 330.859 3.024 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1)C(=O)C1CCC1 ZINC001085452277 1358505844 /nfs/dbraw/zinc/50/58/44/1358505844.db2.gz LXQHZDCJRZKALD-GOSISDBHSA-N 1 2 330.859 3.024 20 30 EGEDLO C=C(C)CC[N@@H+]1Cc2cnn(C3CCN(C(=O)CC4CC4)CC3)c2C1 ZINC001070341785 1354323858 /nfs/dbraw/zinc/32/38/58/1354323858.db2.gz ZDGVZNXDQHPGRW-UHFFFAOYSA-N 1 2 342.487 3.129 20 30 EGEDLO C=C(C)CC[N@H+]1Cc2cnn(C3CCN(C(=O)CC4CC4)CC3)c2C1 ZINC001070341785 1354323864 /nfs/dbraw/zinc/32/38/64/1354323864.db2.gz ZDGVZNXDQHPGRW-UHFFFAOYSA-N 1 2 342.487 3.129 20 30 EGEDLO C=C(C)CC[N@@H+]1Cc2cnn(C3CCN(C(=O)CCC)CC3)c2C1 ZINC001070342535 1354324443 /nfs/dbraw/zinc/32/44/43/1354324443.db2.gz JMJGSLLBQLPKIW-UHFFFAOYSA-N 1 2 330.476 3.129 20 30 EGEDLO C=C(C)CC[N@H+]1Cc2cnn(C3CCN(C(=O)CCC)CC3)c2C1 ZINC001070342535 1354324446 /nfs/dbraw/zinc/32/44/46/1354324446.db2.gz JMJGSLLBQLPKIW-UHFFFAOYSA-N 1 2 330.476 3.129 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)CC1CCCC1)C[C@H](C)O2 ZINC001071127384 1354467621 /nfs/dbraw/zinc/46/76/21/1354467621.db2.gz NEOMOZJBLHBSAG-YJBOKZPZSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CC1CCCC1)C[C@H](C)O2 ZINC001071127384 1354467622 /nfs/dbraw/zinc/46/76/22/1354467622.db2.gz NEOMOZJBLHBSAG-YJBOKZPZSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2cc(C)ns2)CC1 ZINC001085802522 1358778141 /nfs/dbraw/zinc/77/81/41/1358778141.db2.gz WJXQDHJJHLNGKT-INIZCTEOSA-N 1 2 333.501 3.231 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2cc(C)ns2)CC1 ZINC001085802522 1358778158 /nfs/dbraw/zinc/77/81/58/1358778158.db2.gz WJXQDHJJHLNGKT-INIZCTEOSA-N 1 2 333.501 3.231 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)C2CCCC2)CC[C@@H]1C ZINC001071294724 1354546622 /nfs/dbraw/zinc/54/66/22/1354546622.db2.gz XCNOVJZVSRMDTP-JSGCOSHPSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)C2CCCC2)CC[C@@H]1C ZINC001071294724 1354546624 /nfs/dbraw/zinc/54/66/24/1354546624.db2.gz XCNOVJZVSRMDTP-JSGCOSHPSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)C2CCCC2)CC[C@H]1C ZINC001071294726 1354546909 /nfs/dbraw/zinc/54/69/09/1354546909.db2.gz XCNOVJZVSRMDTP-TZMCWYRMSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)C2CCCC2)CC[C@H]1C ZINC001071294726 1354546911 /nfs/dbraw/zinc/54/69/11/1354546911.db2.gz XCNOVJZVSRMDTP-TZMCWYRMSA-N 1 2 329.282 3.054 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C2CCC2)C[N@@H+]1CC#Cc1ccccc1Cl ZINC001071302244 1354557603 /nfs/dbraw/zinc/55/76/03/1354557603.db2.gz GOWQCINDQYFECZ-QAPCUYQASA-N 1 2 344.886 3.461 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C2CCC2)C[N@H+]1CC#Cc1ccccc1Cl ZINC001071302244 1354557606 /nfs/dbraw/zinc/55/76/06/1354557606.db2.gz GOWQCINDQYFECZ-QAPCUYQASA-N 1 2 344.886 3.461 20 30 EGEDLO Cc1ccoc1C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001071351878 1354620405 /nfs/dbraw/zinc/62/04/05/1354620405.db2.gz JLPSJSKJIMRNAQ-CRAIPNDOSA-N 1 2 337.423 3.243 20 30 EGEDLO Cc1ccoc1C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001071351878 1354620408 /nfs/dbraw/zinc/62/04/08/1354620408.db2.gz JLPSJSKJIMRNAQ-CRAIPNDOSA-N 1 2 337.423 3.243 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)c2ccccc2O)C[N@@H+]1Cc1ccccc1C#N ZINC001071356278 1354626323 /nfs/dbraw/zinc/62/63/23/1354626323.db2.gz JRSJJJHHSIQRMP-YJBOKZPZSA-N 1 2 349.434 3.047 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)c2ccccc2O)C[N@H+]1Cc1ccccc1C#N ZINC001071356278 1354626325 /nfs/dbraw/zinc/62/63/25/1354626325.db2.gz JRSJJJHHSIQRMP-YJBOKZPZSA-N 1 2 349.434 3.047 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3ccccc3C#N)C2)co1 ZINC001071461613 1354708631 /nfs/dbraw/zinc/70/86/31/1354708631.db2.gz VAUZSLKTAAEWIP-IFXJQAMLSA-N 1 2 337.423 3.243 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3ccccc3C#N)C2)co1 ZINC001071461613 1354708636 /nfs/dbraw/zinc/70/86/36/1354708636.db2.gz VAUZSLKTAAEWIP-IFXJQAMLSA-N 1 2 337.423 3.243 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C2(C)CC2)C[N@@H+]1CC#Cc1ccccc1Cl ZINC001071522416 1354743262 /nfs/dbraw/zinc/74/32/62/1354743262.db2.gz RHERZBCLLNLBJG-NVXWUHKLSA-N 1 2 344.886 3.461 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C2(C)CC2)C[N@H+]1CC#Cc1ccccc1Cl ZINC001071522416 1354743265 /nfs/dbraw/zinc/74/32/65/1354743265.db2.gz RHERZBCLLNLBJG-NVXWUHKLSA-N 1 2 344.886 3.461 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc3[nH]nc(C)c3c2)CC[C@H]1C ZINC001071677872 1354845135 /nfs/dbraw/zinc/84/51/35/1354845135.db2.gz WNOGVEUGBGVLLU-IUODEOHRSA-N 1 2 346.862 3.207 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc3[nH]nc(C)c3c2)CC[C@H]1C ZINC001071677872 1354845139 /nfs/dbraw/zinc/84/51/39/1354845139.db2.gz WNOGVEUGBGVLLU-IUODEOHRSA-N 1 2 346.862 3.207 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2-c2ccoc2)CC[C@H]1C ZINC001071702245 1354861838 /nfs/dbraw/zinc/86/18/38/1354861838.db2.gz WGVJSBATKYTNNY-OCCSQVGLSA-N 1 2 348.834 3.005 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2-c2ccoc2)CC[C@H]1C ZINC001071702245 1354861843 /nfs/dbraw/zinc/86/18/43/1354861843.db2.gz WGVJSBATKYTNNY-OCCSQVGLSA-N 1 2 348.834 3.005 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3nc(C)cs3)C2)C1 ZINC001071802675 1354945324 /nfs/dbraw/zinc/94/53/24/1354945324.db2.gz ALSJNXBGTBFCNN-CABCVRRESA-N 1 2 333.501 3.277 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3nc(C)cs3)C2)C1 ZINC001071802675 1354945326 /nfs/dbraw/zinc/94/53/26/1354945326.db2.gz ALSJNXBGTBFCNN-CABCVRRESA-N 1 2 333.501 3.277 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)C2CC3(CC3)C2)CC[C@H]1C ZINC001071803329 1354946558 /nfs/dbraw/zinc/94/65/58/1354946558.db2.gz KTZYVCPRXJWZMF-OCCSQVGLSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)C2CC3(CC3)C2)CC[C@H]1C ZINC001071803329 1354946560 /nfs/dbraw/zinc/94/65/60/1354946560.db2.gz KTZYVCPRXJWZMF-OCCSQVGLSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3ccn(C(C)C)n3)C2)C1 ZINC001071804291 1354947440 /nfs/dbraw/zinc/94/74/40/1354947440.db2.gz ZRGCPFFPDHQSQX-DLBZAZTESA-N 1 2 344.503 3.289 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3ccn(C(C)C)n3)C2)C1 ZINC001071804291 1354947445 /nfs/dbraw/zinc/94/74/45/1354947445.db2.gz ZRGCPFFPDHQSQX-DLBZAZTESA-N 1 2 344.503 3.289 20 30 EGEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnc(-c3ccco3)s2)CC[C@H]1C ZINC001072011836 1355075969 /nfs/dbraw/zinc/07/59/69/1355075969.db2.gz DJQHSCLPXTUNRX-KGLIPLIRSA-N 1 2 343.452 3.009 20 30 EGEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnc(-c3ccco3)s2)CC[C@H]1C ZINC001072011836 1355075970 /nfs/dbraw/zinc/07/59/70/1355075970.db2.gz DJQHSCLPXTUNRX-KGLIPLIRSA-N 1 2 343.452 3.009 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc(N(C)C)cc2)CC[C@@H]1C ZINC001072029562 1355090632 /nfs/dbraw/zinc/09/06/32/1355090632.db2.gz IMAPILYEIFMUJX-HOCLYGCPSA-N 1 2 335.879 3.088 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc(N(C)C)cc2)CC[C@@H]1C ZINC001072029562 1355090636 /nfs/dbraw/zinc/09/06/36/1355090636.db2.gz IMAPILYEIFMUJX-HOCLYGCPSA-N 1 2 335.879 3.088 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccccc2N(C)C)CC[C@H]1C ZINC001072116209 1355140820 /nfs/dbraw/zinc/14/08/20/1355140820.db2.gz JJMFHWCQCYYVGU-HUUCEWRRSA-N 1 2 335.879 3.088 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccccc2N(C)C)CC[C@H]1C ZINC001072116209 1355140822 /nfs/dbraw/zinc/14/08/22/1355140822.db2.gz JJMFHWCQCYYVGU-HUUCEWRRSA-N 1 2 335.879 3.088 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc3n(c2)CCCC3)CC[C@@H]1C ZINC001072130694 1355146077 /nfs/dbraw/zinc/14/60/77/1355146077.db2.gz XNUAOXWOOPSFLQ-GOEBONIOSA-N 1 2 335.879 3.160 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc3n(c2)CCCC3)CC[C@@H]1C ZINC001072130694 1355146079 /nfs/dbraw/zinc/14/60/79/1355146079.db2.gz XNUAOXWOOPSFLQ-GOEBONIOSA-N 1 2 335.879 3.160 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CC3CCCCCC3)C[C@@H]21 ZINC001074342918 1356176019 /nfs/dbraw/zinc/17/60/19/1356176019.db2.gz DQDKLWVTMBCKGB-OALUTQOASA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CC3CCCCCC3)C[C@@H]21 ZINC001074342918 1356176021 /nfs/dbraw/zinc/17/60/21/1356176021.db2.gz DQDKLWVTMBCKGB-OALUTQOASA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C4CC4)cc3)C[C@@H]21 ZINC001074410814 1356195677 /nfs/dbraw/zinc/19/56/77/1356195677.db2.gz YGNDNFNJUMXQQY-PMACEKPBSA-N 1 2 340.467 3.055 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C4CC4)cc3)C[C@@H]21 ZINC001074410814 1356195681 /nfs/dbraw/zinc/19/56/81/1356195681.db2.gz YGNDNFNJUMXQQY-PMACEKPBSA-N 1 2 340.467 3.055 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(F)ccc3CC)[C@@H]2C1 ZINC001075987796 1356462783 /nfs/dbraw/zinc/46/27/83/1356462783.db2.gz JHHJOJNUIDHUSD-WMLDXEAASA-N 1 2 336.838 3.287 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(F)ccc3CC)[C@@H]2C1 ZINC001075987796 1356462785 /nfs/dbraw/zinc/46/27/85/1356462785.db2.gz JHHJOJNUIDHUSD-WMLDXEAASA-N 1 2 336.838 3.287 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(Cl)c(Cl)[nH]3)[C@@H]2C1 ZINC001076105552 1356491278 /nfs/dbraw/zinc/49/12/78/1356491278.db2.gz IRNDSNXBNDYDLN-JOYOIKCWSA-N 1 2 348.661 3.220 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(Cl)c(Cl)[nH]3)[C@@H]2C1 ZINC001076105552 1356491280 /nfs/dbraw/zinc/49/12/80/1356491280.db2.gz IRNDSNXBNDYDLN-JOYOIKCWSA-N 1 2 348.661 3.220 20 30 EGEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3cc(F)ccc3s1)C2 ZINC001098374882 1363310098 /nfs/dbraw/zinc/31/00/98/1363310098.db2.gz BLSRDJKRDSKVED-KFWWJZLASA-N 1 2 328.412 3.009 20 30 EGEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3cc(F)ccc3s1)C2 ZINC001098374882 1363310100 /nfs/dbraw/zinc/31/01/00/1363310100.db2.gz BLSRDJKRDSKVED-KFWWJZLASA-N 1 2 328.412 3.009 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(CCOC)CC1 ZINC001099107336 1363626158 /nfs/dbraw/zinc/62/61/58/1363626158.db2.gz XVDMAEWCNZJPBT-HNNXBMFYSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(CCOC)CC1 ZINC001099107336 1363626160 /nfs/dbraw/zinc/62/61/60/1363626160.db2.gz XVDMAEWCNZJPBT-HNNXBMFYSA-N 1 2 342.911 3.162 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC001082683297 1358071690 /nfs/dbraw/zinc/07/16/90/1358071690.db2.gz BKXFHJFRJKYASJ-HZSPNIEDSA-N 1 2 348.491 3.077 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4scnc43)[C@@H]2C1 ZINC001084341382 1358196589 /nfs/dbraw/zinc/19/65/89/1358196589.db2.gz KWWBGPPCJJMQDQ-TZMCWYRMSA-N 1 2 347.871 3.195 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4scnc43)[C@@H]2C1 ZINC001084341382 1358196591 /nfs/dbraw/zinc/19/65/91/1358196591.db2.gz KWWBGPPCJJMQDQ-TZMCWYRMSA-N 1 2 347.871 3.195 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c(C)cccc3C)[C@@H]2C1 ZINC001084379017 1358204390 /nfs/dbraw/zinc/20/43/90/1358204390.db2.gz RZVXDQYMLYRQME-SJLPKXTDSA-N 1 2 332.875 3.131 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c(C)cccc3C)[C@@H]2C1 ZINC001084379017 1358204392 /nfs/dbraw/zinc/20/43/92/1358204392.db2.gz RZVXDQYMLYRQME-SJLPKXTDSA-N 1 2 332.875 3.131 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC34CC4)[C@@H]2C1 ZINC001084449806 1358216704 /nfs/dbraw/zinc/21/67/04/1358216704.db2.gz OMINONWWLPGVDU-HSALFYBXSA-N 1 2 349.478 3.171 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC34CC4)[C@@H]2C1 ZINC001084449806 1358216707 /nfs/dbraw/zinc/21/67/07/1358216707.db2.gz OMINONWWLPGVDU-HSALFYBXSA-N 1 2 349.478 3.171 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)[C@H](C)CO4)[C@@H]2C1 ZINC001084598141 1358252377 /nfs/dbraw/zinc/25/23/77/1358252377.db2.gz MLXKGJCBJLLYKM-SRCQZFHVSA-N 1 2 346.858 3.081 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)[C@H](C)CO4)[C@@H]2C1 ZINC001084598141 1358252378 /nfs/dbraw/zinc/25/23/78/1358252378.db2.gz MLXKGJCBJLLYKM-SRCQZFHVSA-N 1 2 346.858 3.081 20 30 EGEDLO CCc1ccoc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084636447 1358264158 /nfs/dbraw/zinc/26/41/58/1358264158.db2.gz HUFWSAPILTXKJX-WOJBJXKFSA-N 1 2 348.446 3.040 20 30 EGEDLO CCc1ccoc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084636447 1358264159 /nfs/dbraw/zinc/26/41/59/1358264159.db2.gz HUFWSAPILTXKJX-WOJBJXKFSA-N 1 2 348.446 3.040 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3ccccc3C)[C@@H]2C1 ZINC001084683173 1358277129 /nfs/dbraw/zinc/27/71/29/1358277129.db2.gz UKADXGUPWGHSIT-QZTJIDSGSA-N 1 2 332.875 3.213 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3ccccc3C)[C@@H]2C1 ZINC001084683173 1358277135 /nfs/dbraw/zinc/27/71/35/1358277135.db2.gz UKADXGUPWGHSIT-QZTJIDSGSA-N 1 2 332.875 3.213 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C34CCC(CC3)C4(C)C)[C@@H]2C1 ZINC001084709293 1358288974 /nfs/dbraw/zinc/28/89/74/1358288974.db2.gz VGWYEXUZXXDIDR-XZZQLLPFSA-N 1 2 336.907 3.488 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC(CC3)C4(C)C)[C@@H]2C1 ZINC001084709293 1358288977 /nfs/dbraw/zinc/28/89/77/1358288977.db2.gz VGWYEXUZXXDIDR-XZZQLLPFSA-N 1 2 336.907 3.488 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4cnccc43)[C@@H]2C1 ZINC001084831982 1358323634 /nfs/dbraw/zinc/32/36/34/1358323634.db2.gz IGWUYNKLMRUDQB-CRAIPNDOSA-N 1 2 341.842 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4cnccc43)[C@@H]2C1 ZINC001084831982 1358323639 /nfs/dbraw/zinc/32/36/39/1358323639.db2.gz IGWUYNKLMRUDQB-CRAIPNDOSA-N 1 2 341.842 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C34CC(C(C)(C)C)(C3)C4)[C@@H]2C1 ZINC001084860774 1358333093 /nfs/dbraw/zinc/33/30/93/1358333093.db2.gz FPLOEOWGXBBRSE-QAQJPARQSA-N 1 2 336.907 3.488 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC(C(C)(C)C)(C3)C4)[C@@H]2C1 ZINC001084860774 1358333097 /nfs/dbraw/zinc/33/30/97/1358333097.db2.gz FPLOEOWGXBBRSE-QAQJPARQSA-N 1 2 336.907 3.488 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)[C@@H]1CC=CCC1 ZINC001085478869 1358530860 /nfs/dbraw/zinc/53/08/60/1358530860.db2.gz HFLMSTQNAGCIMN-SJLPKXTDSA-N 1 2 341.430 3.086 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)[C@@H]1CC=CCC1 ZINC001085478869 1358530865 /nfs/dbraw/zinc/53/08/65/1358530865.db2.gz HFLMSTQNAGCIMN-SJLPKXTDSA-N 1 2 341.430 3.086 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@@H]1CC=CCC1 ZINC001085479681 1358532082 /nfs/dbraw/zinc/53/20/82/1358532082.db2.gz XWKVYVDAMVFEIQ-QUCCMNQESA-N 1 2 340.442 3.066 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@@H]1CC=CCC1 ZINC001085479681 1358532085 /nfs/dbraw/zinc/53/20/85/1358532085.db2.gz XWKVYVDAMVFEIQ-QUCCMNQESA-N 1 2 340.442 3.066 20 30 EGEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183748068 1387341131 /nfs/dbraw/zinc/34/11/31/1387341131.db2.gz NMSADUJOFPNXRL-QGZVFWFLSA-N 1 2 336.439 3.328 20 30 EGEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001183748068 1387341136 /nfs/dbraw/zinc/34/11/36/1387341136.db2.gz NMSADUJOFPNXRL-QGZVFWFLSA-N 1 2 336.439 3.328 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(=O)C1CC(C)(C)C1 ZINC001085578438 1358608981 /nfs/dbraw/zinc/60/89/81/1358608981.db2.gz NQLZZVJDSVNXJH-IBGZPJMESA-N 1 2 342.458 3.146 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(=O)C1CC(C)(C)C1 ZINC001085578438 1358608984 /nfs/dbraw/zinc/60/89/84/1358608984.db2.gz NQLZZVJDSVNXJH-IBGZPJMESA-N 1 2 342.458 3.146 20 30 EGEDLO Cc1csc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)c1 ZINC001085586154 1358615648 /nfs/dbraw/zinc/61/56/48/1358615648.db2.gz OXGAMRREAVJBOB-KRWDZBQOSA-N 1 2 339.464 3.275 20 30 EGEDLO Cc1csc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)c1 ZINC001085586154 1358615652 /nfs/dbraw/zinc/61/56/52/1358615652.db2.gz OXGAMRREAVJBOB-KRWDZBQOSA-N 1 2 339.464 3.275 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1snc(Cl)c1Cl ZINC001085619638 1358640684 /nfs/dbraw/zinc/64/06/84/1358640684.db2.gz TUXVTVLLGPSXBU-SECBINFHSA-N 1 2 334.272 3.172 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1snc(Cl)c1Cl ZINC001085619638 1358640686 /nfs/dbraw/zinc/64/06/86/1358640686.db2.gz TUXVTVLLGPSXBU-SECBINFHSA-N 1 2 334.272 3.172 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1CCCC1(C)C ZINC001085771795 1358744105 /nfs/dbraw/zinc/74/41/05/1358744105.db2.gz KFEHFSQTRVNBLW-YOEHRIQHSA-N 1 2 345.512 3.479 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1CCCC1(C)C ZINC001085771795 1358744107 /nfs/dbraw/zinc/74/41/07/1358744107.db2.gz KFEHFSQTRVNBLW-YOEHRIQHSA-N 1 2 345.512 3.479 20 30 EGEDLO CCc1ccccc1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N ZINC001085787386 1358761552 /nfs/dbraw/zinc/76/15/52/1358761552.db2.gz NOMBZIWPCAJDIN-FQEVSTJZSA-N 1 2 347.462 3.467 20 30 EGEDLO CCc1ccccc1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccccc1C#N ZINC001085787386 1358761558 /nfs/dbraw/zinc/76/15/58/1358761558.db2.gz NOMBZIWPCAJDIN-FQEVSTJZSA-N 1 2 347.462 3.467 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2conc2CC)CC1 ZINC001085798454 1358774052 /nfs/dbraw/zinc/77/40/52/1358774052.db2.gz RXEXKFRFRRQACV-KRWDZBQOSA-N 1 2 331.460 3.016 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2conc2CC)CC1 ZINC001085798454 1358774057 /nfs/dbraw/zinc/77/40/57/1358774057.db2.gz RXEXKFRFRRQACV-KRWDZBQOSA-N 1 2 331.460 3.016 20 30 EGEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(-c2cccs2)o1 ZINC001085951482 1358907334 /nfs/dbraw/zinc/90/73/34/1358907334.db2.gz HEKXSJIGMASHQX-AWEZNQCLSA-N 1 2 328.437 3.178 20 30 EGEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(-c2cccs2)o1 ZINC001085951482 1358907339 /nfs/dbraw/zinc/90/73/39/1358907339.db2.gz HEKXSJIGMASHQX-AWEZNQCLSA-N 1 2 328.437 3.178 20 30 EGEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2c(s1)CCCCC2 ZINC001085957926 1358914709 /nfs/dbraw/zinc/91/47/09/1358914709.db2.gz NUGHNWXKWHXJMB-INIZCTEOSA-N 1 2 330.497 3.187 20 30 EGEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2c(s1)CCCCC2 ZINC001085957926 1358914714 /nfs/dbraw/zinc/91/47/14/1358914714.db2.gz NUGHNWXKWHXJMB-INIZCTEOSA-N 1 2 330.497 3.187 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001086610889 1359163812 /nfs/dbraw/zinc/16/38/12/1359163812.db2.gz MOGQFWZZKBGBAE-NRSFXHEJSA-N 1 2 332.875 3.369 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001086610889 1359163814 /nfs/dbraw/zinc/16/38/14/1359163814.db2.gz MOGQFWZZKBGBAE-NRSFXHEJSA-N 1 2 332.875 3.369 20 30 EGEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001087465712 1359479248 /nfs/dbraw/zinc/47/92/48/1359479248.db2.gz FJEQSNYGIHKIRI-QZTJIDSGSA-N 1 2 346.421 3.015 20 30 EGEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001087465712 1359479251 /nfs/dbraw/zinc/47/92/51/1359479251.db2.gz FJEQSNYGIHKIRI-QZTJIDSGSA-N 1 2 346.421 3.015 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(OC)cs2)[C@H]1CC ZINC001087682992 1359587258 /nfs/dbraw/zinc/58/72/58/1359587258.db2.gz CMNRVKQCIPGNEQ-QWHCGFSZSA-N 1 2 328.865 3.092 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(OC)cs2)[C@H]1CC ZINC001087682992 1359587261 /nfs/dbraw/zinc/58/72/61/1359587261.db2.gz CMNRVKQCIPGNEQ-QWHCGFSZSA-N 1 2 328.865 3.092 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nccs3)[C@@H]2CC)CC1 ZINC001087713851 1359605828 /nfs/dbraw/zinc/60/58/28/1359605828.db2.gz OIXYINUYHMQGQF-JKSUJKDBSA-N 1 2 333.501 3.359 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nccs3)[C@@H]2CC)CC1 ZINC001087713851 1359605832 /nfs/dbraw/zinc/60/58/32/1359605832.db2.gz OIXYINUYHMQGQF-JKSUJKDBSA-N 1 2 333.501 3.359 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2oc(C3CC3)nc2C)[C@H]1CC ZINC001087754967 1359629452 /nfs/dbraw/zinc/62/94/52/1359629452.db2.gz LVNYRYLYSKWAOB-UONOGXRCSA-N 1 2 337.851 3.196 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2oc(C3CC3)nc2C)[C@H]1CC ZINC001087754967 1359629455 /nfs/dbraw/zinc/62/94/55/1359629455.db2.gz LVNYRYLYSKWAOB-UONOGXRCSA-N 1 2 337.851 3.196 20 30 EGEDLO CCCC#CC(=O)NC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001184273297 1387421756 /nfs/dbraw/zinc/42/17/56/1387421756.db2.gz NLRYYLXDAMEOAS-UHFFFAOYSA-N 1 2 332.447 3.380 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc3scnc32)[C@H]1C ZINC001088564339 1359973754 /nfs/dbraw/zinc/97/37/54/1359973754.db2.gz LRBYMHRSIGAZDR-YPMHNXCESA-N 1 2 335.860 3.241 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc3scnc32)[C@H]1C ZINC001088564339 1359973757 /nfs/dbraw/zinc/97/37/57/1359973757.db2.gz LRBYMHRSIGAZDR-YPMHNXCESA-N 1 2 335.860 3.241 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnc3ccsc3c2)[C@H]1C ZINC001088794075 1360046890 /nfs/dbraw/zinc/04/68/90/1360046890.db2.gz GASLUTUEPRSXIC-YPMHNXCESA-N 1 2 335.860 3.241 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnc3ccsc3c2)[C@H]1C ZINC001088794075 1360046895 /nfs/dbraw/zinc/04/68/95/1360046895.db2.gz GASLUTUEPRSXIC-YPMHNXCESA-N 1 2 335.860 3.241 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CC=CCC2)[C@H]1C ZINC001088797629 1360048685 /nfs/dbraw/zinc/04/86/85/1360048685.db2.gz INQANNQJOXCDFK-ILXRZTDVSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC=CCC2)[C@H]1C ZINC001088797629 1360048687 /nfs/dbraw/zinc/04/86/87/1360048687.db2.gz INQANNQJOXCDFK-ILXRZTDVSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(F)c(F)cc2F)[C@H]1C ZINC001088825977 1360066374 /nfs/dbraw/zinc/06/63/74/1360066374.db2.gz NALYFUVFHSSKRZ-OTYXRUKQSA-N 1 2 332.753 3.049 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(F)c(F)cc2F)[C@H]1C ZINC001088825977 1360066376 /nfs/dbraw/zinc/06/63/76/1360066376.db2.gz NALYFUVFHSSKRZ-OTYXRUKQSA-N 1 2 332.753 3.049 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(F)c3ncccc3c2)[C@H]1C ZINC001088925754 1360105561 /nfs/dbraw/zinc/10/55/61/1360105561.db2.gz OZOJROKUWOFDFU-WBMJQRKESA-N 1 2 347.821 3.319 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(F)c3ncccc3c2)[C@H]1C ZINC001088925754 1360105568 /nfs/dbraw/zinc/10/55/68/1360105568.db2.gz OZOJROKUWOFDFU-WBMJQRKESA-N 1 2 347.821 3.319 20 30 EGEDLO Cc1cc(N[C@@H](C)C[C@H](C)NC(=O)C#CC(C)C)nc(C(C)C)[nH+]1 ZINC001089308065 1360327233 /nfs/dbraw/zinc/32/72/33/1360327233.db2.gz DQYIFOQXPPDTRI-GJZGRUSLSA-N 1 2 330.476 3.263 20 30 EGEDLO Cc1cc(N[C@H](C)C[C@H](C)NC(=O)C#CC(C)(C)C)nc(C2CC2)[nH+]1 ZINC001089312461 1360331368 /nfs/dbraw/zinc/33/13/68/1360331368.db2.gz KCICBQAQJBMBCX-KGLIPLIRSA-N 1 2 342.487 3.407 20 30 EGEDLO CC1(C)CC[C@@H](CNC(=O)C2CC2)[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001089593911 1360520288 /nfs/dbraw/zinc/52/02/88/1360520288.db2.gz WZGWNYMFLPTQBV-SFHVURJKSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@@H](CNC(=O)C2CC2)[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001089593911 1360520290 /nfs/dbraw/zinc/52/02/90/1360520290.db2.gz WZGWNYMFLPTQBV-SFHVURJKSA-N 1 2 343.446 3.214 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](C)N(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001089621869 1360540273 /nfs/dbraw/zinc/54/02/73/1360540273.db2.gz CRCZVXCBXPHVLI-MRXNPFEDSA-N 1 2 342.487 3.187 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](C)N(CC)c1nc(C)[nH+]c(C)c1C ZINC001089722978 1360626402 /nfs/dbraw/zinc/62/64/02/1360626402.db2.gz LSZBDXLJPQMPKB-DYVFJYSZSA-N 1 2 332.492 3.335 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc(Cl)no1 ZINC001089723092 1360626578 /nfs/dbraw/zinc/62/65/78/1360626578.db2.gz GGDLBVXHCHMCLF-NSHDSACASA-N 1 2 346.258 3.301 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc(Cl)no1 ZINC001089723092 1360626580 /nfs/dbraw/zinc/62/65/80/1360626580.db2.gz GGDLBVXHCHMCLF-NSHDSACASA-N 1 2 346.258 3.301 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H](C)[C@](C)(CNc2cc[nH+]c(C)n2)C1 ZINC001090258540 1360876166 /nfs/dbraw/zinc/87/61/66/1360876166.db2.gz UINJVZQQSFQBIO-SIXWZSSISA-N 1 2 330.476 3.284 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@H]21 ZINC001090354245 1360894742 /nfs/dbraw/zinc/89/47/42/1360894742.db2.gz OOOWCZXWNKSTOV-DOPJRALCSA-N 1 2 342.487 3.041 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@H]21 ZINC001090354803 1360895285 /nfs/dbraw/zinc/89/52/85/1360895285.db2.gz WOLULDGPHWDAEA-FGTMMUONSA-N 1 2 342.487 3.041 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C12CCC2 ZINC001090612154 1360910502 /nfs/dbraw/zinc/91/05/02/1360910502.db2.gz GPCGDMRFQHIXLP-SJORKVTESA-N 1 2 340.471 3.393 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C12CCC2 ZINC001090622400 1360917321 /nfs/dbraw/zinc/91/73/21/1360917321.db2.gz UUMXUZXSDYUNTM-IRXDYDNUSA-N 1 2 340.471 3.208 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NC[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001091391755 1361077452 /nfs/dbraw/zinc/07/74/52/1361077452.db2.gz LKEAPERVSXUNNT-PWXKEOIMSA-N 1 2 342.487 3.427 20 30 EGEDLO Cc1cc(N[C@@H]2CC[C@H](CNC(=O)C#CC(C)C)C2)nc(C2CC2)[nH+]1 ZINC001091570963 1361148311 /nfs/dbraw/zinc/14/83/11/1361148311.db2.gz ZNSONCZTXCLVIB-DOTOQJQBSA-N 1 2 340.471 3.019 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1CC ZINC001091772415 1361216433 /nfs/dbraw/zinc/21/64/33/1361216433.db2.gz FIZMSSDWPYDZIP-ZWKOTPCHSA-N 1 2 342.487 3.069 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001092014989 1361274585 /nfs/dbraw/zinc/27/45/85/1361274585.db2.gz CEASYFVUGCJDBZ-QAPCUYQASA-N 1 2 342.487 3.254 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001092899993 1361481418 /nfs/dbraw/zinc/48/14/18/1361481418.db2.gz HYHGHZCVRJHMPS-PMPSAXMXSA-N 1 2 342.487 3.176 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@H]21 ZINC001093358379 1361570350 /nfs/dbraw/zinc/57/03/50/1361570350.db2.gz QKZXOOOGOJBBMA-TXDAXLQXSA-N 1 2 342.487 3.062 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC1CC2(C1)CC(Nc1cc[nH+]c(C)n1)C2 ZINC001093438535 1361623322 /nfs/dbraw/zinc/62/33/22/1361623322.db2.gz RGVJYCIRNGRYED-DKWICNMVSA-N 1 2 328.460 3.227 20 30 EGEDLO C=CCC(C)(C)C(=O)NC1CC2(C1)CC(Nc1cc[nH+]c(C)n1)C2 ZINC001093444245 1361625355 /nfs/dbraw/zinc/62/53/55/1361625355.db2.gz CNJQCGKVOSAWBW-UHFFFAOYSA-N 1 2 328.460 3.227 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CCC(C)=C(C)C3)CC2)C1 ZINC001093538688 1361637130 /nfs/dbraw/zinc/63/71/30/1361637130.db2.gz HKGFMCUZXDZOOH-SFHVURJKSA-N 1 2 346.515 3.391 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CCCCC3(C)C)CC2)C1 ZINC001093600457 1361654910 /nfs/dbraw/zinc/65/49/10/1361654910.db2.gz WCORNXBZSLHVSN-LJQANCHMSA-N 1 2 348.531 3.471 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)c(C)o1 ZINC001095166625 1362038292 /nfs/dbraw/zinc/03/82/92/1362038292.db2.gz UWVCVBIMIDAXGC-GIVPXCGWSA-N 1 2 348.446 3.283 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)c(C)o1 ZINC001095166625 1362038293 /nfs/dbraw/zinc/03/82/93/1362038293.db2.gz UWVCVBIMIDAXGC-GIVPXCGWSA-N 1 2 348.446 3.283 20 30 EGEDLO C=CCCC(=O)N1CCC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001095281437 1362081933 /nfs/dbraw/zinc/08/19/33/1362081933.db2.gz VQLFVKFEUMDMHA-OAHLLOKOSA-N 1 2 328.460 3.033 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001095323377 1362100665 /nfs/dbraw/zinc/10/06/65/1362100665.db2.gz UXLPAICGWZTAIQ-INIZCTEOSA-N 1 2 342.487 3.423 20 30 EGEDLO C=CC1(CC(=O)NC2CCN(c3cc[nH+]c(C)n3)CC2)CCCCC1 ZINC001095420746 1362134543 /nfs/dbraw/zinc/13/45/43/1362134543.db2.gz RTQJTJULDPVKRR-UHFFFAOYSA-N 1 2 342.487 3.397 20 30 EGEDLO C=CCCC1(C(=O)NC2CCN(c3nc(C)[nH+]c(C)c3C)CC2)CC1 ZINC001095445191 1362143602 /nfs/dbraw/zinc/14/36/02/1362143602.db2.gz DUOVWXLQTVBZGE-UHFFFAOYSA-N 1 2 342.487 3.233 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001095712724 1362209771 /nfs/dbraw/zinc/20/97/71/1362209771.db2.gz WJFLNTXMAXDBGL-HIFRSBDPSA-N 1 2 330.476 3.063 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H](C)c2ncc(C)o2)cc1 ZINC001095854027 1362256567 /nfs/dbraw/zinc/25/65/67/1362256567.db2.gz IBOKSGDURDXQTE-VLQPXKRTSA-N 1 2 349.434 3.061 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H](C)c2ncc(C)o2)cc1 ZINC001095854027 1362256570 /nfs/dbraw/zinc/25/65/70/1362256570.db2.gz IBOKSGDURDXQTE-VLQPXKRTSA-N 1 2 349.434 3.061 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096231979 1362445051 /nfs/dbraw/zinc/44/50/51/1362445051.db2.gz DAJOLRHUEXKFJC-JXFKEZNVSA-N 1 2 342.487 3.350 20 30 EGEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3ccco3)s1)C2 ZINC001096267445 1362451673 /nfs/dbraw/zinc/45/16/73/1362451673.db2.gz UUFGAMAHYXRVFZ-ILXRZTDVSA-N 1 2 340.448 3.367 20 30 EGEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3ccco3)s1)C2 ZINC001096267445 1362451675 /nfs/dbraw/zinc/45/16/75/1362451675.db2.gz UUFGAMAHYXRVFZ-ILXRZTDVSA-N 1 2 340.448 3.367 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N(CCC)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001096548737 1362573916 /nfs/dbraw/zinc/57/39/16/1362573916.db2.gz CVBIDHMVWIKCCD-JKSUJKDBSA-N 1 2 344.503 3.451 20 30 EGEDLO C#CCCCCC(=O)NC[C@H](Nc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001096654745 1362618188 /nfs/dbraw/zinc/61/81/88/1362618188.db2.gz VDXHUWWPLYJOIR-KRWDZBQOSA-N 1 2 340.471 3.163 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H](Nc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001096739264 1362680498 /nfs/dbraw/zinc/68/04/98/1362680498.db2.gz ILBBVHMGCLVXHW-INIZCTEOSA-N 1 2 328.460 3.325 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096974445 1362800512 /nfs/dbraw/zinc/80/05/12/1362800512.db2.gz QAGUDYLRBKJXBH-BBRMVZONSA-N 1 2 328.460 3.278 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001097069093 1362831994 /nfs/dbraw/zinc/83/19/94/1362831994.db2.gz OWXFNKFEHMNQRC-SHTZXODSSA-N 1 2 342.487 3.325 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097342200 1362943103 /nfs/dbraw/zinc/94/31/03/1362943103.db2.gz UNTHMSVHDRJONM-ROUUACIJSA-N 1 2 344.503 3.337 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(F)CCCC1)C2 ZINC001097384460 1362964667 /nfs/dbraw/zinc/96/46/67/1362964667.db2.gz ZGLGOOPLWBTLKQ-KURKYZTESA-N 1 2 341.430 3.062 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(F)CCCC1)C2 ZINC001097384460 1362964670 /nfs/dbraw/zinc/96/46/70/1362964670.db2.gz ZGLGOOPLWBTLKQ-KURKYZTESA-N 1 2 341.430 3.062 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(F)ccc1CC)C2 ZINC001097432026 1362984585 /nfs/dbraw/zinc/98/45/85/1362984585.db2.gz UQDSXOWQQJAHQB-OIISXLGYSA-N 1 2 336.838 3.476 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(F)ccc1CC)C2 ZINC001097432026 1362984587 /nfs/dbraw/zinc/98/45/87/1362984587.db2.gz UQDSXOWQQJAHQB-OIISXLGYSA-N 1 2 336.838 3.476 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CCCCN1c1nc(C)[nH+]c(C)c1C ZINC001097451510 1362997838 /nfs/dbraw/zinc/99/78/38/1362997838.db2.gz ISYDRFGRWKJRHM-ZWKOTPCHSA-N 1 2 344.503 3.479 20 30 EGEDLO C=CCC1(C(=O)N2CCCC[C@@H]2CNc2cc[nH+]c(C)n2)CCC1 ZINC001097500834 1363024047 /nfs/dbraw/zinc/02/40/47/1363024047.db2.gz XSOJXBYRABWECX-MRXNPFEDSA-N 1 2 328.460 3.324 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H](C)[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001097542639 1363050391 /nfs/dbraw/zinc/05/03/91/1363050391.db2.gz KBFPCZDXUSJYJF-ZBFHGGJFSA-N 1 2 330.476 3.108 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H](C)[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097546022 1363053582 /nfs/dbraw/zinc/05/35/82/1363053582.db2.gz QUQSYONGSHMHNP-DOTOQJQBSA-N 1 2 344.503 3.335 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nccc3ccccc31)C2 ZINC001097740853 1363111689 /nfs/dbraw/zinc/11/16/89/1363111689.db2.gz MOIAAGVZISMTPX-OIISXLGYSA-N 1 2 341.842 3.322 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nccc3ccccc31)C2 ZINC001097740853 1363111691 /nfs/dbraw/zinc/11/16/91/1363111691.db2.gz MOIAAGVZISMTPX-OIISXLGYSA-N 1 2 341.842 3.322 20 30 EGEDLO C#Cc1cc(Nc2ccc(Cl)c(C(=O)N(CC)CC)c2)cc[nH+]1 ZINC001185072621 1387610308 /nfs/dbraw/zinc/61/03/08/1387610308.db2.gz ZRYGCKOCSKQJTA-UHFFFAOYSA-N 1 2 327.815 3.364 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(OCC)c(C)c1)C2 ZINC001097965814 1363182523 /nfs/dbraw/zinc/18/25/23/1363182523.db2.gz PUHOAGAYNSRCQL-ZACQAIPSSA-N 1 2 348.874 3.481 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(OCC)c(C)c1)C2 ZINC001097965814 1363182525 /nfs/dbraw/zinc/18/25/25/1363182525.db2.gz PUHOAGAYNSRCQL-ZACQAIPSSA-N 1 2 348.874 3.481 20 30 EGEDLO C#CC[N@@H+](CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)CC1CC1 ZINC001324382333 1387615078 /nfs/dbraw/zinc/61/50/78/1387615078.db2.gz GTROWLPSMONCHR-UHFFFAOYSA-N 1 2 343.427 3.233 20 30 EGEDLO C#CC[N@H+](CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)CC1CC1 ZINC001324382333 1387615084 /nfs/dbraw/zinc/61/50/84/1387615084.db2.gz GTROWLPSMONCHR-UHFFFAOYSA-N 1 2 343.427 3.233 20 30 EGEDLO C=C(C)[C@H](CC(=O)NC[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1)OCC ZINC001098088115 1363218528 /nfs/dbraw/zinc/21/85/28/1363218528.db2.gz RZIFKOWPAADGQW-HOTGVXAUSA-N 1 2 348.491 3.196 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3ccncc3c1)C2 ZINC001098165123 1363241343 /nfs/dbraw/zinc/24/13/43/1363241343.db2.gz MPPXUBSQNBLYFW-KURKYZTESA-N 1 2 341.842 3.322 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3ccncc3c1)C2 ZINC001098165123 1363241344 /nfs/dbraw/zinc/24/13/44/1363241344.db2.gz MPPXUBSQNBLYFW-KURKYZTESA-N 1 2 341.842 3.322 20 30 EGEDLO C#CCCCCCC(=O)NC[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001098188395 1363248598 /nfs/dbraw/zinc/24/85/98/1363248598.db2.gz KXJHSGLPZNFVJL-HNNXBMFYSA-N 1 2 342.487 3.164 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001098197804 1363253120 /nfs/dbraw/zinc/25/31/20/1363253120.db2.gz HNOQRNSFEMOPQB-HIFRSBDPSA-N 1 2 330.476 3.183 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)c1ccccc1)C2 ZINC001098349373 1363305235 /nfs/dbraw/zinc/30/52/35/1363305235.db2.gz VVBPMVCKJGSMCZ-ZACQAIPSSA-N 1 2 332.875 3.438 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)c1ccccc1)C2 ZINC001098349373 1363305237 /nfs/dbraw/zinc/30/52/37/1363305237.db2.gz VVBPMVCKJGSMCZ-ZACQAIPSSA-N 1 2 332.875 3.438 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001098570886 1363381785 /nfs/dbraw/zinc/38/17/85/1363381785.db2.gz NRHPHHGLHUNUPI-HNNXBMFYSA-N 1 2 328.460 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)OCC1CC1 ZINC001098952625 1363537667 /nfs/dbraw/zinc/53/76/67/1363537667.db2.gz KERJMVDCNYVNAD-ZBFHGGJFSA-N 1 2 342.911 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)OCC1CC1 ZINC001098952625 1363537669 /nfs/dbraw/zinc/53/76/69/1363537669.db2.gz KERJMVDCNYVNAD-ZBFHGGJFSA-N 1 2 342.911 3.161 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC=C(Cl)Cl ZINC001098981712 1363554008 /nfs/dbraw/zinc/55/40/08/1363554008.db2.gz FJSYPFARMLURHX-RYUDHWBXSA-N 1 2 332.275 3.072 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC=C(Cl)Cl ZINC001098981712 1363554011 /nfs/dbraw/zinc/55/40/11/1363554011.db2.gz FJSYPFARMLURHX-RYUDHWBXSA-N 1 2 332.275 3.072 20 30 EGEDLO C#CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1csc(C)n1 ZINC001099043109 1363590294 /nfs/dbraw/zinc/59/02/94/1363590294.db2.gz IMEYZXQGMBDFQO-KRWDZBQOSA-N 1 2 347.528 3.362 20 30 EGEDLO C#CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1csc(C)n1 ZINC001099043109 1363590297 /nfs/dbraw/zinc/59/02/97/1363590297.db2.gz IMEYZXQGMBDFQO-KRWDZBQOSA-N 1 2 347.528 3.362 20 30 EGEDLO Cc1cc(C[N@@H+]2CC(C)(C)CC[C@H]2CNC(=O)C#CC(C)(C)C)no1 ZINC001099069420 1363605471 /nfs/dbraw/zinc/60/54/71/1363605471.db2.gz HKOKGYNNRCIQDR-KRWDZBQOSA-N 1 2 345.487 3.139 20 30 EGEDLO Cc1cc(C[N@H+]2CC(C)(C)CC[C@H]2CNC(=O)C#CC(C)(C)C)no1 ZINC001099069420 1363605474 /nfs/dbraw/zinc/60/54/74/1363605474.db2.gz HKOKGYNNRCIQDR-KRWDZBQOSA-N 1 2 345.487 3.139 20 30 EGEDLO CC(C)(C)C#CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nccs1 ZINC001099069311 1363605719 /nfs/dbraw/zinc/60/57/19/1363605719.db2.gz FKTAQJVERLCIMT-OAHLLOKOSA-N 1 2 347.528 3.299 20 30 EGEDLO CC(C)(C)C#CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nccs1 ZINC001099069311 1363605723 /nfs/dbraw/zinc/60/57/23/1363605723.db2.gz FKTAQJVERLCIMT-OAHLLOKOSA-N 1 2 347.528 3.299 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nocc1C ZINC001099171729 1363668892 /nfs/dbraw/zinc/66/88/92/1363668892.db2.gz RKKPGBWRLUZDCE-OAHLLOKOSA-N 1 2 333.476 3.302 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nocc1C ZINC001099171729 1363668896 /nfs/dbraw/zinc/66/88/96/1363668896.db2.gz RKKPGBWRLUZDCE-OAHLLOKOSA-N 1 2 333.476 3.302 20 30 EGEDLO C#CCCCCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccon1 ZINC001099171854 1363670133 /nfs/dbraw/zinc/67/01/33/1363670133.db2.gz VJXXFTJKOVOUFO-GOSISDBHSA-N 1 2 345.487 3.365 20 30 EGEDLO C#CCCCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccon1 ZINC001099171854 1363670135 /nfs/dbraw/zinc/67/01/35/1363670135.db2.gz VJXXFTJKOVOUFO-GOSISDBHSA-N 1 2 345.487 3.365 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nccn1C ZINC001099194218 1363685370 /nfs/dbraw/zinc/68/53/70/1363685370.db2.gz MACSCWJJCCJAEX-IAGOWNOFSA-N 1 2 346.519 3.129 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nccn1C ZINC001099194218 1363685373 /nfs/dbraw/zinc/68/53/73/1363685373.db2.gz MACSCWJJCCJAEX-IAGOWNOFSA-N 1 2 346.519 3.129 20 30 EGEDLO C=CC[C@@H](C(=O)NCC[C@@H](C)Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC001099214652 1363695713 /nfs/dbraw/zinc/69/57/13/1363695713.db2.gz URHXSGJAGHUWTO-CRAIPNDOSA-N 1 2 338.455 3.452 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCN(CC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001100691310 1364220619 /nfs/dbraw/zinc/22/06/19/1364220619.db2.gz NORQMAOFFOAZKS-GDBMZVCRSA-N 1 2 332.492 3.309 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CCCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC001100899784 1364321637 /nfs/dbraw/zinc/32/16/37/1364321637.db2.gz ZZQBQEILPSGBIY-INIZCTEOSA-N 1 2 330.476 3.350 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001100901192 1364322682 /nfs/dbraw/zinc/32/26/82/1364322682.db2.gz UBXUSDJEMBRPSU-OXJNMPFZSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001101062750 1364397086 /nfs/dbraw/zinc/39/70/86/1364397086.db2.gz LGLWDKPWTJYTKI-OAHLLOKOSA-N 1 2 342.487 3.207 20 30 EGEDLO CCCN(CCNC(=O)C#CC(C)(C)C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001101143560 1364430120 /nfs/dbraw/zinc/43/01/20/1364430120.db2.gz RRRXJQVPVZACBD-UHFFFAOYSA-N 1 2 344.503 3.291 20 30 EGEDLO C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001101542781 1364607807 /nfs/dbraw/zinc/60/78/07/1364607807.db2.gz HFVAQZCRCDRKSU-ZDUSSCGKSA-N 1 2 338.389 3.317 20 30 EGEDLO C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001101542781 1364607810 /nfs/dbraw/zinc/60/78/10/1364607810.db2.gz HFVAQZCRCDRKSU-ZDUSSCGKSA-N 1 2 338.389 3.317 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H](C)CC(C)(C)C)c1nccn12 ZINC001101645117 1364667890 /nfs/dbraw/zinc/66/78/90/1364667890.db2.gz XXTPFBFNOCPNLD-CVEARBPZSA-N 1 2 344.503 3.103 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)CCCCCC(C)C)c1nccn12 ZINC001101646887 1364669585 /nfs/dbraw/zinc/66/95/85/1364669585.db2.gz ZJMNDBPXFJPMPU-QGZVFWFLSA-N 1 2 344.503 3.248 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC([C@H](C)Nc2cc[nH+]c(C)n2)CC1 ZINC001102067651 1364833209 /nfs/dbraw/zinc/83/32/09/1364833209.db2.gz BAEWCEVIKHLOKL-AWEZNQCLSA-N 1 2 330.476 3.426 20 30 EGEDLO C=CCC(CC=C)C(=O)N(CCC)[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102250162 1364964968 /nfs/dbraw/zinc/96/49/68/1364964968.db2.gz OYBXQVBAUVSJPL-GOSISDBHSA-N 1 2 342.487 3.371 20 30 EGEDLO C=CCCC(=O)NCC[C@@H]1C[N@@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001102761851 1365207111 /nfs/dbraw/zinc/20/71/11/1365207111.db2.gz HFOKLGFRWGOVRN-CHWSQXEVSA-N 1 2 341.908 3.337 20 30 EGEDLO C=CCCC(=O)NCC[C@@H]1C[N@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001102761851 1365207115 /nfs/dbraw/zinc/20/71/15/1365207115.db2.gz HFOKLGFRWGOVRN-CHWSQXEVSA-N 1 2 341.908 3.337 20 30 EGEDLO C=CCC(C)(C)C(=O)N(C)[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102766654 1365209125 /nfs/dbraw/zinc/20/91/25/1365209125.db2.gz GQMRWYQEDOHKJZ-INIZCTEOSA-N 1 2 342.487 3.302 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](CC)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001103038076 1365350053 /nfs/dbraw/zinc/35/00/53/1365350053.db2.gz LGGXUDZMTAYMBM-MRXNPFEDSA-N 1 2 328.460 3.163 20 30 EGEDLO CC[C@@H](CNC(=O)C#CC(C)(C)C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001103054980 1365357979 /nfs/dbraw/zinc/35/79/79/1365357979.db2.gz OUBASRPRPKPVRA-HNNXBMFYSA-N 1 2 342.487 3.020 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](CC)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001103264482 1365461974 /nfs/dbraw/zinc/46/19/74/1365461974.db2.gz FUKZKPAEZXCUFY-MRXNPFEDSA-N 1 2 342.487 3.164 20 30 EGEDLO C=CC[C@@H](C(=O)NC[C@@H](C)CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001103990409 1365862071 /nfs/dbraw/zinc/86/20/71/1365862071.db2.gz DERQTHMRSOSCIA-MAUKXSAKSA-N 1 2 338.455 3.309 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104177030 1365937867 /nfs/dbraw/zinc/93/78/67/1365937867.db2.gz KJHXMFKHPSLPPV-CYBMUJFWSA-N 1 2 330.476 3.040 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104233780 1365962679 /nfs/dbraw/zinc/96/26/79/1365962679.db2.gz HGRWKKYAUOIVBI-CQSZACIVSA-N 1 2 344.503 3.430 20 30 EGEDLO C#CCC1(C(=O)N(C)[C@H](C)CNc2cc(C)[nH+]c(C(C)C)n2)CCC1 ZINC001104716741 1366142025 /nfs/dbraw/zinc/14/20/25/1366142025.db2.gz AXBAIQGTILNRPP-MRXNPFEDSA-N 1 2 342.487 3.361 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N[C@@H](CNc1cc[nH+]c(C)n1)CC(C)C)OCC ZINC001104967096 1366246631 /nfs/dbraw/zinc/24/66/31/1366246631.db2.gz ZRUPLNONCSAUJQ-IAGOWNOFSA-N 1 2 348.491 3.099 20 30 EGEDLO C=CCC1(C(=O)N[C@@H](CNc2cc[nH+]c(C)n2)CC(C)C)CCC1 ZINC001104995461 1366264155 /nfs/dbraw/zinc/26/41/55/1366264155.db2.gz RNJWWLDKLADORQ-MRXNPFEDSA-N 1 2 330.476 3.474 20 30 EGEDLO C#CCCCC(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C1CCCCC1 ZINC001105018892 1366278291 /nfs/dbraw/zinc/27/82/91/1366278291.db2.gz AUUZBTXRJRIWGK-KRWDZBQOSA-N 1 2 328.460 3.066 20 30 EGEDLO Cc1cc(N[C@@H]2CCN(C(=O)C#CC(C)C)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC001105042933 1366289710 /nfs/dbraw/zinc/28/97/10/1366289710.db2.gz GVHPGZMDIBNVDH-NVXWUHKLSA-N 1 2 342.487 3.217 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H](Nc3cc[nH+]c(C)n3)[C@@H](C)C2)CCC1 ZINC001105056729 1366298141 /nfs/dbraw/zinc/29/81/41/1366298141.db2.gz GNSCHQOMUTWGEX-GOEBONIOSA-N 1 2 328.460 3.180 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC(CCN(C)c2cc[nH+]c(C)n2)CC1 ZINC001105100923 1366328540 /nfs/dbraw/zinc/32/85/40/1366328540.db2.gz PQAFKRYRJDEZIV-UHFFFAOYSA-N 1 2 344.503 3.452 20 30 EGEDLO C=CCO[C@H](C)C(=O)NC[C@H](Nc1cc(C)[nH+]c(C(C)C)n1)C(C)C ZINC001105194138 1366365129 /nfs/dbraw/zinc/36/51/29/1366365129.db2.gz SDJOPSLAAVCEOH-CVEARBPZSA-N 1 2 348.491 3.052 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N(C)CCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001105528140 1366511968 /nfs/dbraw/zinc/51/19/68/1366511968.db2.gz HKCCNTIMSZFVNK-CABCVRRESA-N 1 2 344.503 3.017 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N(C)CCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001105547419 1366523255 /nfs/dbraw/zinc/52/32/55/1366523255.db2.gz PCXBQKIWCDDNDU-LJQANCHMSA-N 1 2 332.492 3.405 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2[C@H](CCN2c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001105618188 1366549228 /nfs/dbraw/zinc/54/92/28/1366549228.db2.gz QWVPYPQMAAPHBP-SJORKVTESA-N 1 2 342.487 3.302 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[C@H](C)CC(C)C)CC2)C1 ZINC001105731428 1366588387 /nfs/dbraw/zinc/58/83/87/1366588387.db2.gz PGJJOQXGIRUBTM-QGZVFWFLSA-N 1 2 336.520 3.327 20 30 EGEDLO C=CC[C@@H](C(=O)N(CC)CCNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001106774300 1366793880 /nfs/dbraw/zinc/79/38/80/1366793880.db2.gz GVQHATGNONVZLQ-GOSISDBHSA-N 1 2 338.455 3.405 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N(CC)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001106924108 1366834869 /nfs/dbraw/zinc/83/48/69/1366834869.db2.gz QKPLXTJSQLUKTN-GJZGRUSLSA-N 1 2 344.503 3.382 20 30 EGEDLO C=C[C@@H](CC(=O)NC/C=C\CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001107223442 1366896084 /nfs/dbraw/zinc/89/60/84/1366896084.db2.gz YSEZFAJCYCSUNX-QWPQOLDESA-N 1 2 336.439 3.229 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001109348694 1367078054 /nfs/dbraw/zinc/07/80/54/1367078054.db2.gz JLFFCBJQZWPCKA-CVEARBPZSA-N 1 2 330.476 3.474 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccncc1Cl ZINC001109351347 1367082431 /nfs/dbraw/zinc/08/24/31/1367082431.db2.gz WVXZBBFAFMCJCF-PVAVHDDUSA-N 1 2 333.863 3.313 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccncc1Cl ZINC001109351347 1367082425 /nfs/dbraw/zinc/08/24/25/1367082425.db2.gz WVXZBBFAFMCJCF-PVAVHDDUSA-N 1 2 333.863 3.313 20 30 EGEDLO C#CCCCCC(=O)N(C)CCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001109408202 1367108064 /nfs/dbraw/zinc/10/80/64/1367108064.db2.gz BKFXREKYHVZUJT-UHFFFAOYSA-N 1 2 342.487 3.118 20 30 EGEDLO Cc1cc(NCCCN(C)C(=O)C#CC(C)(C)C)nc(C(C)C)[nH+]1 ZINC001109434097 1367119594 /nfs/dbraw/zinc/11/95/94/1367119594.db2.gz VETKYGKKFBKJFK-UHFFFAOYSA-N 1 2 330.476 3.218 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@]1(C)C[N@H+]([C@H](C)c2ccccc2F)CCO1 ZINC001107977818 1367227746 /nfs/dbraw/zinc/22/77/46/1367227746.db2.gz VJGQFEBHMLOAJI-UZLBHIALSA-N 1 2 348.462 3.450 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@]1(C)C[N@@H+]([C@H](C)c2ccccc2F)CCO1 ZINC001107977818 1367227750 /nfs/dbraw/zinc/22/77/50/1367227750.db2.gz VJGQFEBHMLOAJI-UZLBHIALSA-N 1 2 348.462 3.450 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001109632830 1367252207 /nfs/dbraw/zinc/25/22/07/1367252207.db2.gz FIIOSLJBHWZULD-ANRZDRKOSA-N 1 2 331.460 3.115 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001109632830 1367252215 /nfs/dbraw/zinc/25/22/15/1367252215.db2.gz FIIOSLJBHWZULD-ANRZDRKOSA-N 1 2 331.460 3.115 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001109682122 1367279230 /nfs/dbraw/zinc/27/92/30/1367279230.db2.gz UMUDZYDPZPISBQ-DFEOGRTESA-N 1 2 331.435 3.045 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001109682122 1367279233 /nfs/dbraw/zinc/27/92/33/1367279233.db2.gz UMUDZYDPZPISBQ-DFEOGRTESA-N 1 2 331.435 3.045 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccns2)CC1 ZINC001109681916 1367279998 /nfs/dbraw/zinc/27/99/98/1367279998.db2.gz MAWOQVFMJYHLHD-KBMXLJTQSA-N 1 2 331.485 3.111 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccns2)CC1 ZINC001109681916 1367280004 /nfs/dbraw/zinc/28/00/04/1367280004.db2.gz MAWOQVFMJYHLHD-KBMXLJTQSA-N 1 2 331.485 3.111 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)c2ccc(OCC)c(C(F)(F)F)c2)CC1 ZINC001190639862 1367313168 /nfs/dbraw/zinc/31/31/68/1367313168.db2.gz UEGLQLMYZGGOLN-UHFFFAOYSA-N 1 2 342.361 3.048 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109784686 1367322863 /nfs/dbraw/zinc/32/28/63/1367322863.db2.gz VHXYSKWYIQWFMN-OLQIXAPSSA-N 1 2 343.446 3.211 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109784686 1367322869 /nfs/dbraw/zinc/32/28/69/1367322869.db2.gz VHXYSKWYIQWFMN-OLQIXAPSSA-N 1 2 343.446 3.211 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)c1cccnc1)C2 ZINC001109802597 1367330928 /nfs/dbraw/zinc/33/09/28/1367330928.db2.gz YIUSNXRMSNVYNC-VZEFYGNVSA-N 1 2 333.863 3.049 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)c1cccnc1)C2 ZINC001109802597 1367330934 /nfs/dbraw/zinc/33/09/34/1367330934.db2.gz YIUSNXRMSNVYNC-VZEFYGNVSA-N 1 2 333.863 3.049 20 30 EGEDLO C=CCC1(S(=O)(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001190804556 1367354422 /nfs/dbraw/zinc/35/44/22/1367354422.db2.gz MRNPHPQBKIOZFG-IAGOWNOFSA-N 1 2 348.512 3.020 20 30 EGEDLO C=CCC1(S(=O)(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001190804556 1367354427 /nfs/dbraw/zinc/35/44/27/1367354427.db2.gz MRNPHPQBKIOZFG-IAGOWNOFSA-N 1 2 348.512 3.020 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cccc(C3CCCC3)c2)C1 ZINC001108342895 1367400735 /nfs/dbraw/zinc/40/07/35/1367400735.db2.gz KGBGBXQUWLEAQL-OAQYLSRUSA-N 1 2 342.483 3.351 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cccc(C3CCCC3)c2)C1 ZINC001108342895 1367400737 /nfs/dbraw/zinc/40/07/37/1367400737.db2.gz KGBGBXQUWLEAQL-OAQYLSRUSA-N 1 2 342.483 3.351 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC001108363205 1367412279 /nfs/dbraw/zinc/41/22/79/1367412279.db2.gz ZQTAYHAAEYEIPV-MRXNPFEDSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC001108363205 1367412283 /nfs/dbraw/zinc/41/22/83/1367412283.db2.gz ZQTAYHAAEYEIPV-MRXNPFEDSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(Cl)ccc2Cl)C1 ZINC001108364604 1367414653 /nfs/dbraw/zinc/41/46/53/1367414653.db2.gz SBZRLWJAAZTGPX-MRXNPFEDSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(Cl)ccc2Cl)C1 ZINC001108364604 1367414660 /nfs/dbraw/zinc/41/46/60/1367414660.db2.gz SBZRLWJAAZTGPX-MRXNPFEDSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc3c(cccc3F)s2)C1 ZINC001108388018 1367430282 /nfs/dbraw/zinc/43/02/82/1367430282.db2.gz WEWXSQDPEUOYSW-SFHVURJKSA-N 1 2 348.443 3.047 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc3c(cccc3F)s2)C1 ZINC001108388018 1367430286 /nfs/dbraw/zinc/43/02/86/1367430286.db2.gz WEWXSQDPEUOYSW-SFHVURJKSA-N 1 2 348.443 3.047 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001108425099 1367448223 /nfs/dbraw/zinc/44/82/23/1367448223.db2.gz XZDAWURXXMCDDU-OXJNMPFZSA-N 1 2 330.472 3.207 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001108425099 1367448225 /nfs/dbraw/zinc/44/82/25/1367448225.db2.gz XZDAWURXXMCDDU-OXJNMPFZSA-N 1 2 330.472 3.207 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C3=CCCC3)cc2)C1 ZINC001108450142 1367462744 /nfs/dbraw/zinc/46/27/44/1367462744.db2.gz KGASUTXVCLSJPW-NRFANRHFSA-N 1 2 340.467 3.261 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C3=CCCC3)cc2)C1 ZINC001108450142 1367462747 /nfs/dbraw/zinc/46/27/47/1367462747.db2.gz KGASUTXVCLSJPW-NRFANRHFSA-N 1 2 340.467 3.261 20 30 EGEDLO CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110292766 1367616595 /nfs/dbraw/zinc/61/65/95/1367616595.db2.gz PCQBJXANZWHTFP-NXHRZFHOSA-N 1 2 329.419 3.109 20 30 EGEDLO CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110292766 1367616599 /nfs/dbraw/zinc/61/65/99/1367616599.db2.gz PCQBJXANZWHTFP-NXHRZFHOSA-N 1 2 329.419 3.109 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC001191913355 1367636531 /nfs/dbraw/zinc/63/65/31/1367636531.db2.gz XHEVGPUQWDVOLL-HOTGVXAUSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC001191913355 1367636539 /nfs/dbraw/zinc/63/65/39/1367636539.db2.gz XHEVGPUQWDVOLL-HOTGVXAUSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C1CC(C)(C(=O)NCC2(Nc3nc(C)[nH+]c4c3CCCC4)CC2)C1 ZINC001110338116 1367651033 /nfs/dbraw/zinc/65/10/33/1367651033.db2.gz NPSZAJIYMLROMB-UHFFFAOYSA-N 1 2 340.471 3.081 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3nc(C)cs3)C2)CC1 ZINC001192181596 1367709342 /nfs/dbraw/zinc/70/93/42/1367709342.db2.gz WHIBEISAYSHMSV-OAHLLOKOSA-N 1 2 333.501 3.231 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3nc(C)cs3)C2)CC1 ZINC001192181596 1367709345 /nfs/dbraw/zinc/70/93/45/1367709345.db2.gz WHIBEISAYSHMSV-OAHLLOKOSA-N 1 2 333.501 3.231 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@]2(CCN(c3nc(C)[nH+]c(C)c3C)C2)C1 ZINC001110476134 1367764459 /nfs/dbraw/zinc/76/44/59/1367764459.db2.gz DCANXOPAELUWKY-FQEVSTJZSA-N 1 2 342.487 3.187 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC001192577792 1367822305 /nfs/dbraw/zinc/82/23/05/1367822305.db2.gz JAZXWBKOCLYDDA-KRWDZBQOSA-N 1 2 332.492 3.099 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC001192577792 1367822311 /nfs/dbraw/zinc/82/23/11/1367822311.db2.gz JAZXWBKOCLYDDA-KRWDZBQOSA-N 1 2 332.492 3.099 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCO[C@H](C)CC(C)C)C2 ZINC001110548841 1367824070 /nfs/dbraw/zinc/82/40/70/1367824070.db2.gz MEIBELROEOXFHX-VQHPVUNQSA-N 1 2 342.911 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCO[C@H](C)CC(C)C)C2 ZINC001110548841 1367824076 /nfs/dbraw/zinc/82/40/76/1367824076.db2.gz MEIBELROEOXFHX-VQHPVUNQSA-N 1 2 342.911 3.302 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@]1(C)CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001110809305 1368003915 /nfs/dbraw/zinc/00/39/15/1368003915.db2.gz KNSSJQBRZWICEO-VQIMIIECSA-N 1 2 330.476 3.089 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C)n2)C1 ZINC001193630768 1368079460 /nfs/dbraw/zinc/07/94/60/1368079460.db2.gz NMIQWJMQIKNNTK-SFHVURJKSA-N 1 2 334.508 3.203 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C)n2)C1 ZINC001193630768 1368079467 /nfs/dbraw/zinc/07/94/67/1368079467.db2.gz NMIQWJMQIKNNTK-SFHVURJKSA-N 1 2 334.508 3.203 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H]([C@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001111225588 1368200014 /nfs/dbraw/zinc/20/00/14/1368200014.db2.gz NKRWURIKYSJJJD-YOEHRIQHSA-N 1 2 328.460 3.202 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H]([C@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001111229642 1368205114 /nfs/dbraw/zinc/20/51/14/1368205114.db2.gz HVBYGHSAQNFRRW-DOTOQJQBSA-N 1 2 328.460 3.018 20 30 EGEDLO C=CCCC(=O)N1C[C@@H](C)[C@@H](CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001111236843 1368211317 /nfs/dbraw/zinc/21/13/17/1368211317.db2.gz FWTNBRPNAHEXMC-ZBFHGGJFSA-N 1 2 342.487 3.136 20 30 EGEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=C)Cl)CCCCC1 ZINC001111483475 1368318031 /nfs/dbraw/zinc/31/80/31/1368318031.db2.gz FYFQZZGXKYFCND-ZACQAIPSSA-N 1 2 334.891 3.434 20 30 EGEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=C)Cl)CCCCC1 ZINC001111483475 1368318033 /nfs/dbraw/zinc/31/80/33/1368318033.db2.gz FYFQZZGXKYFCND-ZACQAIPSSA-N 1 2 334.891 3.434 20 30 EGEDLO CCCCCCCCCOC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC001194914382 1368346870 /nfs/dbraw/zinc/34/68/70/1368346870.db2.gz YXKHMYBMUPPSKB-QGZVFWFLSA-N 1 2 326.481 3.280 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001111620613 1368380631 /nfs/dbraw/zinc/38/06/31/1368380631.db2.gz YYPILOKBSAMECU-KRWDZBQOSA-N 1 2 328.460 3.019 20 30 EGEDLO CCC[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001195372293 1368429131 /nfs/dbraw/zinc/42/91/31/1368429131.db2.gz AWKXHOPOAIYFOM-HNNXBMFYSA-N 1 2 331.435 3.168 20 30 EGEDLO CCC[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001195372293 1368429133 /nfs/dbraw/zinc/42/91/33/1368429133.db2.gz AWKXHOPOAIYFOM-HNNXBMFYSA-N 1 2 331.435 3.168 20 30 EGEDLO CCC[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001195372295 1368429392 /nfs/dbraw/zinc/42/93/92/1368429392.db2.gz AWKXHOPOAIYFOM-OAHLLOKOSA-N 1 2 331.435 3.168 20 30 EGEDLO CCC[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001195372295 1368429396 /nfs/dbraw/zinc/42/93/96/1368429396.db2.gz AWKXHOPOAIYFOM-OAHLLOKOSA-N 1 2 331.435 3.168 20 30 EGEDLO C#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C/C(Cl)=C/Cl)C2 ZINC001111729351 1368431881 /nfs/dbraw/zinc/43/18/81/1368431881.db2.gz LGXMWAMDZPDQFZ-HYVKWYOVSA-N 1 2 329.271 3.080 20 30 EGEDLO C#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](C/C(Cl)=C/Cl)C2 ZINC001111729351 1368431883 /nfs/dbraw/zinc/43/18/83/1368431883.db2.gz LGXMWAMDZPDQFZ-HYVKWYOVSA-N 1 2 329.271 3.080 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@]12CCC[C@H]1C[N@H+](C/C(Cl)=C\Cl)C2 ZINC001111741542 1368439225 /nfs/dbraw/zinc/43/92/25/1368439225.db2.gz DIFIDSRDTZNYRU-XECZKGKISA-N 1 2 343.298 3.326 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@]12CCC[C@H]1C[N@@H+](C/C(Cl)=C\Cl)C2 ZINC001111741542 1368439228 /nfs/dbraw/zinc/43/92/28/1368439228.db2.gz DIFIDSRDTZNYRU-XECZKGKISA-N 1 2 343.298 3.326 20 30 EGEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(C(C)C)no1)C2 ZINC001111764100 1368450557 /nfs/dbraw/zinc/45/05/57/1368450557.db2.gz YWMNIKTZZVEXOL-KXBFYZLASA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(C(C)C)no1)C2 ZINC001111764100 1368450562 /nfs/dbraw/zinc/45/05/62/1368450562.db2.gz YWMNIKTZZVEXOL-KXBFYZLASA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)c1nnc(C)s1)C2 ZINC001111764960 1368451037 /nfs/dbraw/zinc/45/10/37/1368451037.db2.gz LPUGQLFQGKPYHR-YEWWUXTCSA-N 1 2 348.516 3.235 20 30 EGEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)c1nnc(C)s1)C2 ZINC001111764960 1368451040 /nfs/dbraw/zinc/45/10/40/1368451040.db2.gz LPUGQLFQGKPYHR-YEWWUXTCSA-N 1 2 348.516 3.235 20 30 EGEDLO CC[C@H](C)CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001195667681 1368468717 /nfs/dbraw/zinc/46/87/17/1368468717.db2.gz KPPGOJAVDQGPHK-HNNXBMFYSA-N 1 2 331.435 3.168 20 30 EGEDLO CC[C@H](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001195667681 1368468722 /nfs/dbraw/zinc/46/87/22/1368468722.db2.gz KPPGOJAVDQGPHK-HNNXBMFYSA-N 1 2 331.435 3.168 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[N@@H+]([C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC001195774914 1368487982 /nfs/dbraw/zinc/48/79/82/1368487982.db2.gz HHJPUSKNYCDEDK-LJQANCHMSA-N 1 2 346.421 3.146 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[N@H+]([C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC001195774914 1368487984 /nfs/dbraw/zinc/48/79/84/1368487984.db2.gz HHJPUSKNYCDEDK-LJQANCHMSA-N 1 2 346.421 3.146 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001195990593 1368530618 /nfs/dbraw/zinc/53/06/18/1368530618.db2.gz WJFDPUKUWPSAIZ-UHFFFAOYSA-N 1 2 343.446 3.334 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001195990593 1368530623 /nfs/dbraw/zinc/53/06/23/1368530623.db2.gz WJFDPUKUWPSAIZ-UHFFFAOYSA-N 1 2 343.446 3.334 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001196852680 1368698938 /nfs/dbraw/zinc/69/89/38/1368698938.db2.gz CECZIPDWXWTHKY-CVEARBPZSA-N 1 2 343.446 3.190 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001196852680 1368698942 /nfs/dbraw/zinc/69/89/42/1368698942.db2.gz CECZIPDWXWTHKY-CVEARBPZSA-N 1 2 343.446 3.190 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2nc(C)c(C)s2)CC1 ZINC001196852874 1368699299 /nfs/dbraw/zinc/69/92/99/1368699299.db2.gz DVXPRROLCGUIMI-ZIAGYGMSSA-N 1 2 335.517 3.252 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2nc(C)c(C)s2)CC1 ZINC001196852874 1368699303 /nfs/dbraw/zinc/69/93/03/1368699303.db2.gz DVXPRROLCGUIMI-ZIAGYGMSSA-N 1 2 335.517 3.252 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+](Cc2ccncc2Cl)CC1 ZINC001196880278 1368705721 /nfs/dbraw/zinc/70/57/21/1368705721.db2.gz JXBXTVGNZZNYTJ-HNNXBMFYSA-N 1 2 335.879 3.372 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccncc2Cl)CC1 ZINC001196880278 1368705723 /nfs/dbraw/zinc/70/57/23/1368705723.db2.gz JXBXTVGNZZNYTJ-HNNXBMFYSA-N 1 2 335.879 3.372 20 30 EGEDLO C=CCCCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001196984720 1368726482 /nfs/dbraw/zinc/72/64/82/1368726482.db2.gz MZHYAJHILQYKRU-UHFFFAOYSA-N 1 2 329.419 3.088 20 30 EGEDLO C=CCCCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001196984720 1368726486 /nfs/dbraw/zinc/72/64/86/1368726486.db2.gz MZHYAJHILQYKRU-UHFFFAOYSA-N 1 2 329.419 3.088 20 30 EGEDLO CCCC1(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3F)CC2)CC1 ZINC001197110438 1368746836 /nfs/dbraw/zinc/74/68/36/1368746836.db2.gz HTXMDJDVJPKPSG-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO CCCC1(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3F)CC2)CC1 ZINC001197110438 1368746839 /nfs/dbraw/zinc/74/68/39/1368746839.db2.gz HTXMDJDVJPKPSG-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CCN(c3cc[nH+]c(C)n3)CC2(C)C)CC1 ZINC001112384733 1368813774 /nfs/dbraw/zinc/81/37/74/1368813774.db2.gz UWIIUNSTZPAQLB-MRXNPFEDSA-N 1 2 342.487 3.253 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C[C@@H]1C ZINC001112398512 1368823617 /nfs/dbraw/zinc/82/36/17/1368823617.db2.gz RSPRUQDHLNEDOF-GOEBONIOSA-N 1 2 330.476 3.206 20 30 EGEDLO CCC[C@@H](CC)C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001197597316 1368849824 /nfs/dbraw/zinc/84/98/24/1368849824.db2.gz OCZKYJNCDXVHMC-OAHLLOKOSA-N 1 2 333.501 3.480 20 30 EGEDLO CCC[C@@H](CC)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001197597316 1368849832 /nfs/dbraw/zinc/84/98/32/1368849832.db2.gz OCZKYJNCDXVHMC-OAHLLOKOSA-N 1 2 333.501 3.480 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H](C)C1 ZINC001112486936 1368883966 /nfs/dbraw/zinc/88/39/66/1368883966.db2.gz FXXIDEKKCRVBRJ-SUMWQHHRSA-N 1 2 344.503 3.478 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CCCOc2ccccc2)CC1 ZINC001198021858 1368944024 /nfs/dbraw/zinc/94/40/24/1368944024.db2.gz JMSDABLDNSOBJB-UHFFFAOYSA-N 1 2 336.863 3.132 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CCCOc2ccccc2)CC1 ZINC001198021858 1368944029 /nfs/dbraw/zinc/94/40/29/1368944029.db2.gz JMSDABLDNSOBJB-UHFFFAOYSA-N 1 2 336.863 3.132 20 30 EGEDLO C#CCCCCC(=O)N1CC[NH+](CCc2ccccc2Cl)CC1 ZINC001112775036 1368995273 /nfs/dbraw/zinc/99/52/73/1368995273.db2.gz CJDBPADKKULWRL-UHFFFAOYSA-N 1 2 332.875 3.220 20 30 EGEDLO C=CCCC(=O)N1CCC[C@@H]1CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001112783119 1369000655 /nfs/dbraw/zinc/00/06/55/1369000655.db2.gz MZWRIQGKVKPNDH-MRXNPFEDSA-N 1 2 330.476 3.302 20 30 EGEDLO CC(C)(C)C#CC(=O)N1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC001112836971 1369037017 /nfs/dbraw/zinc/03/70/17/1369037017.db2.gz OAFXXKVQZXVNMT-UHFFFAOYSA-N 1 2 334.410 3.318 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)c1occc1C)c1ccccc1OC ZINC001198529476 1369053498 /nfs/dbraw/zinc/05/34/98/1369053498.db2.gz FJZJGSWLDVSFKU-HNNXBMFYSA-N 1 2 348.830 3.410 20 30 EGEDLO C=CCCC(=O)NC[C@H]([NH2+]Cc1cncs1)c1ccccc1OC ZINC001198596365 1369068656 /nfs/dbraw/zinc/06/86/56/1369068656.db2.gz QLBDURAEUBYUSN-INIZCTEOSA-N 1 2 345.468 3.065 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[NH+](CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC001112888127 1369071417 /nfs/dbraw/zinc/07/14/17/1369071417.db2.gz NXOGUSPPRDXGNY-ZWKOTPCHSA-N 1 2 336.520 3.328 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[NH+](Cc2ccc(C)c(OC)c2)CC1 ZINC001112896091 1369077960 /nfs/dbraw/zinc/07/79/60/1369077960.db2.gz FRHSOHDSLDLYCL-UHFFFAOYSA-N 1 2 330.472 3.250 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)/C=C\C1CC1)c1ccccc1OC ZINC001198634913 1369077950 /nfs/dbraw/zinc/07/79/50/1369077950.db2.gz AQVGCABRMFLSIT-ZBTGYSDGSA-N 1 2 334.847 3.161 20 30 EGEDLO C#CCCCCCC(=O)N1CC[NH+](Cc2ccc(C)c(OC)c2)CC1 ZINC001113205058 1369260916 /nfs/dbraw/zinc/26/09/16/1369260916.db2.gz JFKCCMXWLVTNQZ-UHFFFAOYSA-N 1 2 342.483 3.232 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](CCOc2ccccc2C)CC1 ZINC001113244413 1369288497 /nfs/dbraw/zinc/28/84/97/1369288497.db2.gz ZJNPUIDUVSDKIY-SFHVURJKSA-N 1 2 330.472 3.120 20 30 EGEDLO C=CCCC1(C(=O)N2CC[NH+](Cc3cccc(COC)c3)CC2)CC1 ZINC001113310892 1369337711 /nfs/dbraw/zinc/33/77/11/1369337711.db2.gz SRMLMZWAFKENDA-UHFFFAOYSA-N 1 2 342.483 3.224 20 30 EGEDLO C=CCNC(=S)NC[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001200298946 1369343355 /nfs/dbraw/zinc/34/33/55/1369343355.db2.gz DBBRKWCHXGDTHA-ZDUSSCGKSA-N 1 2 332.300 3.246 20 30 EGEDLO CC(C)CCCC(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001113372839 1369374124 /nfs/dbraw/zinc/37/41/24/1369374124.db2.gz OJKOTSOWFUQTPI-UHFFFAOYSA-N 1 2 343.471 3.059 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC001113388893 1369390001 /nfs/dbraw/zinc/39/00/01/1369390001.db2.gz XAKRGTQIGCQFPL-UHFFFAOYSA-N 1 2 336.426 3.254 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[NH+](CCOc2ccc(C)cc2)CC1 ZINC001113390702 1369392029 /nfs/dbraw/zinc/39/20/29/1369392029.db2.gz PKNOKMFFRVANLM-UHFFFAOYSA-N 1 2 330.472 3.120 20 30 EGEDLO C=CCC(CC=C)C(=O)N(C)CC(C)(C)CNc1cc[nH+]c(C)n1 ZINC001113438088 1369427460 /nfs/dbraw/zinc/42/74/60/1369427460.db2.gz CTMZLCINOVGEHI-UHFFFAOYSA-N 1 2 330.476 3.450 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N(C)CC(C)(C)CNc1cc[nH+]c(C)n1 ZINC001113439141 1369429403 /nfs/dbraw/zinc/42/94/03/1369429403.db2.gz DVLARAVSWBDGGB-UHFFFAOYSA-N 1 2 338.883 3.460 20 30 EGEDLO C=C[C@H](CC(=O)N1CC[NH+](Cc2cccnc2C)CC1)c1ccccc1 ZINC001113666954 1369554263 /nfs/dbraw/zinc/55/42/63/1369554263.db2.gz IUFWOFZMWVCDEL-LJQANCHMSA-N 1 2 349.478 3.394 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](CCOCCCC)CC2)CCCCC1 ZINC001113667128 1369554444 /nfs/dbraw/zinc/55/44/44/1369554444.db2.gz PJOAJTDUDGVCOK-UHFFFAOYSA-N 1 2 336.520 3.474 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001113822146 1369623355 /nfs/dbraw/zinc/62/33/55/1369623355.db2.gz LUZOSJXPFGQBTH-HIFRSBDPSA-N 1 2 330.476 3.206 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)CC[C@H]1C ZINC001114038994 1369697159 /nfs/dbraw/zinc/69/71/59/1369697159.db2.gz AJLDDTZGNUAOFU-RHSMWYFYSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)CC[C@H]1C ZINC001114052577 1369705633 /nfs/dbraw/zinc/70/56/33/1369705633.db2.gz MZQDOHRRSQNAEA-GDBMZVCRSA-N 1 2 344.503 3.452 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)CC[C@@H]1C ZINC001114053188 1369706420 /nfs/dbraw/zinc/70/64/20/1369706420.db2.gz WXRBLEGJFFNBCL-XJKSGUPXSA-N 1 2 342.487 3.206 20 30 EGEDLO C#Cc1ccc(C(=O)NC2(CNc3cc[nH+]c(C)n3)CCCCC2)cc1 ZINC001114176604 1369778094 /nfs/dbraw/zinc/77/80/94/1369778094.db2.gz LXLREQRTVNFWGE-UHFFFAOYSA-N 1 2 348.450 3.311 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H](CCCC)CNc1cc[nH+]c(C)n1 ZINC001114294024 1369859804 /nfs/dbraw/zinc/85/98/04/1369859804.db2.gz SFIUJQDRQQLOJG-QFBILLFUSA-N 1 2 348.491 3.101 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H]2CN(c3cc[nH+]c(C)n3)C[C@@H]2C1 ZINC001114660698 1370012633 /nfs/dbraw/zinc/01/26/33/1370012633.db2.gz PTYPKINRXKIIHB-IXDOHACOSA-N 1 2 342.487 3.108 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(C(C)(C)C)on3)C[C@H]21 ZINC001114726914 1370048545 /nfs/dbraw/zinc/04/85/45/1370048545.db2.gz RBOGJKUZGGMIRA-HWLIBYHHSA-N 1 2 345.487 3.121 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(C(C)(C)C)on3)C[C@H]21 ZINC001114726914 1370048548 /nfs/dbraw/zinc/04/85/48/1370048548.db2.gz RBOGJKUZGGMIRA-HWLIBYHHSA-N 1 2 345.487 3.121 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(CCCC)n3)C[C@H]21 ZINC001114759848 1370065579 /nfs/dbraw/zinc/06/55/79/1370065579.db2.gz PLZLNNVWJNCKDS-MNZLEMJZSA-N 1 2 347.528 3.388 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(CCCC)n3)C[C@H]21 ZINC001114759848 1370065584 /nfs/dbraw/zinc/06/55/84/1370065584.db2.gz PLZLNNVWJNCKDS-MNZLEMJZSA-N 1 2 347.528 3.388 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC001114793199 1370084378 /nfs/dbraw/zinc/08/43/78/1370084378.db2.gz ZWAILWSGCPPTRU-WXSAJPJJSA-N 1 2 347.528 3.244 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC001114793199 1370084384 /nfs/dbraw/zinc/08/43/84/1370084384.db2.gz ZWAILWSGCPPTRU-WXSAJPJJSA-N 1 2 347.528 3.244 20 30 EGEDLO C=C[C@H](C(=O)N[C@@H](C)CCCNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001114948294 1370171196 /nfs/dbraw/zinc/17/11/96/1370171196.db2.gz ANYVARBRWSZOJI-YJBOKZPZSA-N 1 2 338.455 3.452 20 30 EGEDLO COc1cc(C[N@@H+]2CCc3cc(C#N)ccc3C2)cc(OC)c1OC ZINC001203841573 1370286479 /nfs/dbraw/zinc/28/64/79/1370286479.db2.gz NULSLJRNLVZABH-UHFFFAOYSA-N 1 2 338.407 3.142 20 30 EGEDLO COc1cc(C[N@H+]2CCc3cc(C#N)ccc3C2)cc(OC)c1OC ZINC001203841573 1370286484 /nfs/dbraw/zinc/28/64/84/1370286484.db2.gz NULSLJRNLVZABH-UHFFFAOYSA-N 1 2 338.407 3.142 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCC[N@@H+]2Cc1ccc(C#N)cc1 ZINC001203900261 1370305764 /nfs/dbraw/zinc/30/57/64/1370305764.db2.gz WHUQWOMVZNZDTN-IRXDYDNUSA-N 1 2 327.428 3.142 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCC[N@H+]2Cc1ccc(C#N)cc1 ZINC001203900261 1370305771 /nfs/dbraw/zinc/30/57/71/1370305771.db2.gz WHUQWOMVZNZDTN-IRXDYDNUSA-N 1 2 327.428 3.142 20 30 EGEDLO C#CCCCCC(=O)N(C)C[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001115682505 1370665326 /nfs/dbraw/zinc/66/53/26/1370665326.db2.gz QBDBEWFDKAOFJU-HNNXBMFYSA-N 1 2 328.460 3.115 20 30 EGEDLO Cc1nc(N2CCOCC2)sc1C=[NH+]Nc1ccc(F)cc1C ZINC001116354112 1370892714 /nfs/dbraw/zinc/89/27/14/1370892714.db2.gz SRMOEVAWIUOGSH-UHFFFAOYSA-N 1 2 334.420 3.182 20 30 EGEDLO Cc1cc(N2CC[C@@H](Oc3ccc(C#N)cn3)C2)[nH+]c2ccccc12 ZINC001326083793 1388110939 /nfs/dbraw/zinc/11/09/39/1388110939.db2.gz HROIVSMLJDSAFS-MRXNPFEDSA-N 1 2 330.391 3.468 20 30 EGEDLO COc1cccnc1C[NH+]1CCC(C#N)(c2ccccc2F)CC1 ZINC001206673108 1371128365 /nfs/dbraw/zinc/12/83/65/1371128365.db2.gz CNKFSCGUSXHMSH-UHFFFAOYSA-N 1 2 325.387 3.287 20 30 EGEDLO C[C@H](c1cccc(Cl)c1F)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C#CC2CC2)C1 ZINC001206948763 1371240557 /nfs/dbraw/zinc/24/05/57/1371240557.db2.gz ZZIRZTAWAZZDMN-PBFPGSCMSA-N 1 2 348.849 3.390 20 30 EGEDLO C[C@H](c1cccc(Cl)c1F)[N@H+]1C[C@@H](C)[C@H](NC(=O)C#CC2CC2)C1 ZINC001206948763 1371240560 /nfs/dbraw/zinc/24/05/60/1371240560.db2.gz ZZIRZTAWAZZDMN-PBFPGSCMSA-N 1 2 348.849 3.390 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2nc(C(C)C)no2)C1 ZINC001207863376 1371523064 /nfs/dbraw/zinc/52/30/64/1371523064.db2.gz NCGHQJJXEAMYTE-JKSUJKDBSA-N 1 2 346.475 3.028 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]([NH2+][C@H](C)c2nc(C(C)C)no2)C1 ZINC001208245230 1371680542 /nfs/dbraw/zinc/68/05/42/1371680542.db2.gz CYNOUQLJOKVIJK-CABCVRRESA-N 1 2 348.491 3.437 20 30 EGEDLO C=C/C(C)=C\CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208350786 1371730164 /nfs/dbraw/zinc/73/01/64/1371730164.db2.gz PSFYCHARYOBXHB-YIPRRBTRSA-N 1 2 341.430 3.156 20 30 EGEDLO C=C/C(C)=C\CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208350786 1371730167 /nfs/dbraw/zinc/73/01/67/1371730167.db2.gz PSFYCHARYOBXHB-YIPRRBTRSA-N 1 2 341.430 3.156 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ncoc2C(C)C)C[C@H]1C ZINC001208392737 1371750846 /nfs/dbraw/zinc/75/08/46/1371750846.db2.gz CLVXZMPWVXBKIW-OWCLPIDISA-N 1 2 333.476 3.337 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ncoc2C(C)C)C[C@H]1C ZINC001208392737 1371750849 /nfs/dbraw/zinc/75/08/49/1371750849.db2.gz CLVXZMPWVXBKIW-OWCLPIDISA-N 1 2 333.476 3.337 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3nc(C)cs3)C[C@H]2C)CCC1 ZINC001208498067 1371788983 /nfs/dbraw/zinc/78/89/83/1371788983.db2.gz KCABSXOUOLIQCH-UKRRQHHQSA-N 1 2 333.501 3.134 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3nc(C)cs3)C[C@H]2C)CCC1 ZINC001208498067 1371788984 /nfs/dbraw/zinc/78/89/84/1371788984.db2.gz KCABSXOUOLIQCH-UKRRQHHQSA-N 1 2 333.501 3.134 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2noc3c2CCCC3)C[C@H]1C ZINC001208509028 1371792368 /nfs/dbraw/zinc/79/23/68/1371792368.db2.gz PKFMQPQVESGRLC-KKVAFCGZSA-N 1 2 345.487 3.092 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2noc3c2CCCC3)C[C@H]1C ZINC001208509028 1371792370 /nfs/dbraw/zinc/79/23/70/1371792370.db2.gz PKFMQPQVESGRLC-KKVAFCGZSA-N 1 2 345.487 3.092 20 30 EGEDLO COC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCCc1ccc(C#N)cc1 ZINC001208862893 1371923632 /nfs/dbraw/zinc/92/36/32/1371923632.db2.gz RGUPFWHKPDPZGD-FQEVSTJZSA-N 1 2 334.419 3.091 20 30 EGEDLO COC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCCc1ccc(C#N)cc1 ZINC001208862893 1371923639 /nfs/dbraw/zinc/92/36/39/1371923639.db2.gz RGUPFWHKPDPZGD-FQEVSTJZSA-N 1 2 334.419 3.091 20 30 EGEDLO C=CCN(CC[N@@H+]1C[C@H](C)OC[C@@H]1c1ccccc1)C(=O)OCC ZINC001209024014 1371976589 /nfs/dbraw/zinc/97/65/89/1371976589.db2.gz PLFNWZJKZXRCMC-FUHWJXTLSA-N 1 2 332.444 3.093 20 30 EGEDLO C=CCN(CC[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1)C(=O)OCC ZINC001209024014 1371976593 /nfs/dbraw/zinc/97/65/93/1371976593.db2.gz PLFNWZJKZXRCMC-FUHWJXTLSA-N 1 2 332.444 3.093 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2nc(C3CCC3)no2)C1 ZINC001209183539 1372028267 /nfs/dbraw/zinc/02/82/67/1372028267.db2.gz NZTGWXWWIONLHA-ZBFHGGJFSA-N 1 2 346.475 3.020 20 30 EGEDLO CCOC(=O)c1ccc2[nH+]ccc(Nc3ccc(C#N)cc3OC)c2c1 ZINC001209325622 1372069543 /nfs/dbraw/zinc/06/95/43/1372069543.db2.gz BYFOXCSRVMXZLA-UHFFFAOYSA-N 1 2 347.374 3.457 20 30 EGEDLO CCOC(=O)c1c(C)[nH]c(C[N@@H+]2CCc3cc(C#N)ccc3C2)c1C ZINC001209601901 1372148304 /nfs/dbraw/zinc/14/83/04/1372148304.db2.gz HMFCJHXADQJEGR-UHFFFAOYSA-N 1 2 337.423 3.238 20 30 EGEDLO CCOC(=O)c1c(C)[nH]c(C[N@H+]2CCc3cc(C#N)ccc3C2)c1C ZINC001209601901 1372148308 /nfs/dbraw/zinc/14/83/08/1372148308.db2.gz HMFCJHXADQJEGR-UHFFFAOYSA-N 1 2 337.423 3.238 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(CC)CCCC2)C1 ZINC001209937224 1372236939 /nfs/dbraw/zinc/23/69/39/1372236939.db2.gz RDKDDWLIAVDIIZ-TZMCWYRMSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(CC)CCCC2)C1 ZINC001209937224 1372236932 /nfs/dbraw/zinc/23/69/32/1372236932.db2.gz RDKDDWLIAVDIIZ-TZMCWYRMSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001122529328 1372267630 /nfs/dbraw/zinc/26/76/30/1372267630.db2.gz ACIAZBOEVOSUHT-HOTGVXAUSA-N 1 2 331.508 3.493 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001122529328 1372267635 /nfs/dbraw/zinc/26/76/35/1372267635.db2.gz ACIAZBOEVOSUHT-HOTGVXAUSA-N 1 2 331.508 3.493 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)OCCCCCC)[C@@H]2C1 ZINC001187919572 1388190433 /nfs/dbraw/zinc/19/04/33/1388190433.db2.gz LUERINDDDJVIHK-YESZJQIVSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)OCCCCCC)[C@@H]2C1 ZINC001187919572 1388190435 /nfs/dbraw/zinc/19/04/35/1388190435.db2.gz LUERINDDDJVIHK-YESZJQIVSA-N 1 2 342.911 3.257 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)[C@H]1C ZINC001123097798 1372379422 /nfs/dbraw/zinc/37/94/22/1372379422.db2.gz GSVYKBSYHBRWMJ-RHSMWYFYSA-N 1 2 342.487 3.421 20 30 EGEDLO C=CCCCC(=O)N1C[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C[C@@H]1C ZINC001123308896 1372420699 /nfs/dbraw/zinc/42/06/99/1372420699.db2.gz HRLMHVFUGJYJLM-HOCLYGCPSA-N 1 2 342.487 3.421 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001123636436 1372534234 /nfs/dbraw/zinc/53/42/34/1372534234.db2.gz MNEDKEXSKQCEDX-WBVHZDCISA-N 1 2 330.476 3.232 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@H]1C ZINC001123652108 1372541072 /nfs/dbraw/zinc/54/10/72/1372541072.db2.gz CRALQILDQRMWOT-GOEBONIOSA-N 1 2 330.476 3.088 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2cccc(F)c2)C1 ZINC001211435730 1372558041 /nfs/dbraw/zinc/55/80/41/1372558041.db2.gz JHUQXSLSUMICON-PBFPGSCMSA-N 1 2 338.854 3.193 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2cccc(F)c2)C1 ZINC001211435730 1372558046 /nfs/dbraw/zinc/55/80/46/1372558046.db2.gz JHUQXSLSUMICON-PBFPGSCMSA-N 1 2 338.854 3.193 20 30 EGEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC001125515595 1372799281 /nfs/dbraw/zinc/79/92/81/1372799281.db2.gz ORIMLTZJIRVVSC-INIZCTEOSA-N 1 2 344.418 3.239 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](CC(=C)Br)C[C@H]21 ZINC001188056961 1388230065 /nfs/dbraw/zinc/23/00/65/1388230065.db2.gz HOCAIBDUMRSIBU-UONOGXRCSA-N 1 2 341.293 3.030 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=C)Br)C[C@H]21 ZINC001188056961 1388230068 /nfs/dbraw/zinc/23/00/68/1388230068.db2.gz HOCAIBDUMRSIBU-UONOGXRCSA-N 1 2 341.293 3.030 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H](CNc1cc[nH+]c(C)n1)C(C)(C)C ZINC001125997156 1372906751 /nfs/dbraw/zinc/90/67/51/1372906751.db2.gz CTVKEMBTPMIEIV-MRXNPFEDSA-N 1 2 330.476 3.496 20 30 EGEDLO C#Cc1cc(Nc2ccc3cnn(C(=O)OC(C)(C)C)c3c2)cc[nH+]1 ZINC001213724267 1372952371 /nfs/dbraw/zinc/95/23/71/1372952371.db2.gz WSHFFSLCJGOECG-UHFFFAOYSA-N 1 2 334.379 3.361 20 30 EGEDLO C=CCCCC(=O)N[C@H](C)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001126675954 1372996320 /nfs/dbraw/zinc/99/63/20/1372996320.db2.gz OJIGVZRZKCDDBG-MRXNPFEDSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC001188080295 1388237800 /nfs/dbraw/zinc/23/78/00/1388237800.db2.gz AOHYKSMDXPVAKG-DOTOQJQBSA-N 1 2 345.512 3.410 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC001188080295 1388237803 /nfs/dbraw/zinc/23/78/03/1388237803.db2.gz AOHYKSMDXPVAKG-DOTOQJQBSA-N 1 2 345.512 3.410 20 30 EGEDLO C=C1CC(C)(C(=O)NCc2cnn3c2C[N@H+](CC/C=C/CC)CC3)C1 ZINC001128489697 1373276617 /nfs/dbraw/zinc/27/66/17/1373276617.db2.gz RWAPKXDQNFRCFQ-AATRIKPKSA-N 1 2 342.487 3.028 20 30 EGEDLO C=C1CC(C)(C(=O)NCc2cnn3c2C[N@@H+](CC/C=C/CC)CC3)C1 ZINC001128489697 1373276625 /nfs/dbraw/zinc/27/66/25/1373276625.db2.gz RWAPKXDQNFRCFQ-AATRIKPKSA-N 1 2 342.487 3.028 20 30 EGEDLO CCCCCCCCCC(=O)NCc1cnn2c1C[N@H+](CC)CC2 ZINC001128565588 1373291700 /nfs/dbraw/zinc/29/17/00/1373291700.db2.gz PORSZXOCZGPSGQ-UHFFFAOYSA-N 1 2 334.508 3.476 20 30 EGEDLO CCCCCCCCCC(=O)NCc1cnn2c1C[N@@H+](CC)CC2 ZINC001128565588 1373291703 /nfs/dbraw/zinc/29/17/03/1373291703.db2.gz PORSZXOCZGPSGQ-UHFFFAOYSA-N 1 2 334.508 3.476 20 30 EGEDLO CCCCCCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csnn2)C1 ZINC001216527024 1373314006 /nfs/dbraw/zinc/31/40/06/1373314006.db2.gz ZFGAXBGEXNCBPF-GDBMZVCRSA-N 1 2 338.521 3.225 20 30 EGEDLO CC(C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131752306 1373786417 /nfs/dbraw/zinc/78/64/17/1373786417.db2.gz PSJKJKBAPBBUIK-RDTXWAMCSA-N 1 2 331.435 3.213 20 30 EGEDLO CC(C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131752306 1373786420 /nfs/dbraw/zinc/78/64/20/1373786420.db2.gz PSJKJKBAPBBUIK-RDTXWAMCSA-N 1 2 331.435 3.213 20 30 EGEDLO CC(C)=CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131772913 1373794930 /nfs/dbraw/zinc/79/49/30/1373794930.db2.gz VIWXCMRRXSYFDC-RDTXWAMCSA-N 1 2 329.419 3.133 20 30 EGEDLO CC(C)=CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131772913 1373794936 /nfs/dbraw/zinc/79/49/36/1373794936.db2.gz VIWXCMRRXSYFDC-RDTXWAMCSA-N 1 2 329.419 3.133 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)CCC(C)C)CC[C@@H]1C ZINC001131788909 1373807367 /nfs/dbraw/zinc/80/73/67/1373807367.db2.gz YXSHDYKCROWURA-UONOGXRCSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)CCC(C)C)CC[C@@H]1C ZINC001131788909 1373807370 /nfs/dbraw/zinc/80/73/70/1373807370.db2.gz YXSHDYKCROWURA-UONOGXRCSA-N 1 2 331.298 3.300 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131899864 1375036514 /nfs/dbraw/zinc/03/65/14/1375036514.db2.gz QYOSVSHYFPWOAS-KBXCAEBGSA-N 1 2 329.419 3.133 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131899864 1375036516 /nfs/dbraw/zinc/03/65/16/1375036516.db2.gz QYOSVSHYFPWOAS-KBXCAEBGSA-N 1 2 329.419 3.133 20 30 EGEDLO C/C=C(\C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131950353 1375064763 /nfs/dbraw/zinc/06/47/63/1375064763.db2.gz KZZJFQNIOPUGRG-HBMRTKLUSA-N 1 2 329.419 3.133 20 30 EGEDLO C/C=C(\C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131950353 1375064765 /nfs/dbraw/zinc/06/47/65/1375064765.db2.gz KZZJFQNIOPUGRG-HBMRTKLUSA-N 1 2 329.419 3.133 20 30 EGEDLO C/C=C(\C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131950354 1375065623 /nfs/dbraw/zinc/06/56/23/1375065623.db2.gz KZZJFQNIOPUGRG-SWPZFCPSSA-N 1 2 329.419 3.133 20 30 EGEDLO C/C=C(\C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131950354 1375065625 /nfs/dbraw/zinc/06/56/25/1375065625.db2.gz KZZJFQNIOPUGRG-SWPZFCPSSA-N 1 2 329.419 3.133 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001131971003 1375075604 /nfs/dbraw/zinc/07/56/04/1375075604.db2.gz ALQGXONKTPEHOW-NVXWUHKLSA-N 1 2 347.890 3.398 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(Cl)n2)C1 ZINC001131971003 1375075608 /nfs/dbraw/zinc/07/56/08/1375075608.db2.gz ALQGXONKTPEHOW-NVXWUHKLSA-N 1 2 347.890 3.398 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001131973135 1375078023 /nfs/dbraw/zinc/07/80/23/1375078023.db2.gz YLTHASYIVYPCKD-RDJZCZTQSA-N 1 2 347.890 3.398 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001131973135 1375078026 /nfs/dbraw/zinc/07/80/26/1375078026.db2.gz YLTHASYIVYPCKD-RDJZCZTQSA-N 1 2 347.890 3.398 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2c(F)cccc2F)C1 ZINC001132017738 1375100359 /nfs/dbraw/zinc/10/03/59/1375100359.db2.gz RXGMRUDNWLQZTE-LSDHHAIUSA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2c(F)cccc2F)C1 ZINC001132017738 1375100361 /nfs/dbraw/zinc/10/03/61/1375100361.db2.gz RXGMRUDNWLQZTE-LSDHHAIUSA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2c(F)cccc2F)C1 ZINC001132017736 1375100757 /nfs/dbraw/zinc/10/07/57/1375100757.db2.gz RXGMRUDNWLQZTE-GJZGRUSLSA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2c(F)cccc2F)C1 ZINC001132017736 1375100759 /nfs/dbraw/zinc/10/07/59/1375100759.db2.gz RXGMRUDNWLQZTE-GJZGRUSLSA-N 1 2 334.410 3.093 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ncc(C)o2)C1 ZINC001132057166 1375122990 /nfs/dbraw/zinc/12/29/90/1375122990.db2.gz KMSAADXFVOEHLM-RHSMWYFYSA-N 1 2 331.460 3.221 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ncc(C)o2)C1 ZINC001132057166 1375122995 /nfs/dbraw/zinc/12/29/95/1375122995.db2.gz KMSAADXFVOEHLM-RHSMWYFYSA-N 1 2 331.460 3.221 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCC2CCOCC2)CC[C@@H]1C ZINC001132082279 1375136851 /nfs/dbraw/zinc/13/68/51/1375136851.db2.gz GBPLIVBLHXDEPC-RDJZCZTQSA-N 1 2 342.911 3.305 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCC2CCOCC2)CC[C@@H]1C ZINC001132082279 1375136855 /nfs/dbraw/zinc/13/68/55/1375136855.db2.gz GBPLIVBLHXDEPC-RDJZCZTQSA-N 1 2 342.911 3.305 20 30 EGEDLO C=CCCC[N@H+]1C[C@H](NC(=O)c2n[nH]c3ccc(C)cc32)CC[C@@H]1C ZINC001132153055 1375172703 /nfs/dbraw/zinc/17/27/03/1375172703.db2.gz MTYCIZOGWONAJR-JKSUJKDBSA-N 1 2 340.471 3.420 20 30 EGEDLO C=CCCC[N@@H+]1C[C@H](NC(=O)c2n[nH]c3ccc(C)cc32)CC[C@@H]1C ZINC001132153055 1375172704 /nfs/dbraw/zinc/17/27/04/1375172704.db2.gz MTYCIZOGWONAJR-JKSUJKDBSA-N 1 2 340.471 3.420 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCc2nc(C)cs2)CC[C@@H]1C ZINC001132174243 1375188597 /nfs/dbraw/zinc/18/85/97/1375188597.db2.gz UMGLQFSRATXRBU-KBPBESRZSA-N 1 2 341.908 3.106 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCc2nc(C)cs2)CC[C@@H]1C ZINC001132174243 1375188601 /nfs/dbraw/zinc/18/86/01/1375188601.db2.gz UMGLQFSRATXRBU-KBPBESRZSA-N 1 2 341.908 3.106 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c(F)c1F ZINC001226016625 1375190449 /nfs/dbraw/zinc/19/04/49/1375190449.db2.gz BBYVTMDJRWYEFO-MRXNPFEDSA-N 1 2 339.345 3.361 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c(F)c1F ZINC001226016625 1375190451 /nfs/dbraw/zinc/19/04/51/1375190451.db2.gz BBYVTMDJRWYEFO-MRXNPFEDSA-N 1 2 339.345 3.361 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2csc(CC)n2)C1 ZINC001132223049 1375220665 /nfs/dbraw/zinc/22/06/65/1375220665.db2.gz AZNIOUSOFLSGQO-CVEARBPZSA-N 1 2 347.528 3.368 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2csc(CC)n2)C1 ZINC001132223049 1375220669 /nfs/dbraw/zinc/22/06/69/1375220669.db2.gz AZNIOUSOFLSGQO-CVEARBPZSA-N 1 2 347.528 3.368 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ncc(C)o2)C1 ZINC001132228240 1375224795 /nfs/dbraw/zinc/22/47/95/1375224795.db2.gz NYNYSCLMUMXAJY-NVXWUHKLSA-N 1 2 331.460 3.036 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ncc(C)o2)C1 ZINC001132228240 1375224798 /nfs/dbraw/zinc/22/47/98/1375224798.db2.gz NYNYSCLMUMXAJY-NVXWUHKLSA-N 1 2 331.460 3.036 20 30 EGEDLO C#C[C@H](C)Oc1cccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001226470502 1375264010 /nfs/dbraw/zinc/26/40/10/1375264010.db2.gz ZCPSBGFRDKKWSA-INIZCTEOSA-N 1 2 344.455 3.140 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3ccc(F)cn3)C2)CC1 ZINC001132292954 1375273491 /nfs/dbraw/zinc/27/34/91/1375273491.db2.gz WRBWYXFSUVZGEF-YJBOKZPZSA-N 1 2 345.462 3.436 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3ccc(F)cn3)C2)CC1 ZINC001132292954 1375273496 /nfs/dbraw/zinc/27/34/96/1375273496.db2.gz WRBWYXFSUVZGEF-YJBOKZPZSA-N 1 2 345.462 3.436 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCC(F)(F)F)CC[C@H]1C ZINC001132321172 1375298798 /nfs/dbraw/zinc/29/87/98/1375298798.db2.gz CXOIFTDWEXQPOM-NEPJUHHUSA-N 1 2 326.790 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCC(F)(F)F)CC[C@H]1C ZINC001132321172 1375298804 /nfs/dbraw/zinc/29/88/04/1375298804.db2.gz CXOIFTDWEXQPOM-NEPJUHHUSA-N 1 2 326.790 3.441 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2nc3ccc(F)cc3[nH]2)C1 ZINC001226700836 1375312236 /nfs/dbraw/zinc/31/22/36/1375312236.db2.gz GCMHKDHUARDDQV-INIZCTEOSA-N 1 2 336.370 3.227 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2nc3ccc(F)cc3[nH]2)C1 ZINC001226700836 1375312242 /nfs/dbraw/zinc/31/22/42/1375312242.db2.gz GCMHKDHUARDDQV-INIZCTEOSA-N 1 2 336.370 3.227 20 30 EGEDLO O=C(/C=C\C1CC1)NC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC001226770025 1375330475 /nfs/dbraw/zinc/33/04/75/1375330475.db2.gz UFBBVCZYDAFLJG-KTKRTIGZSA-N 1 2 342.870 3.238 20 30 EGEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nc(Cl)c(Cl)cc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226890563 1375352818 /nfs/dbraw/zinc/35/28/18/1375352818.db2.gz WACDRIOESZHFIX-VZZZPGGVSA-N 1 2 335.618 3.033 20 30 EGEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc(Cl)c(Cl)cc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226890563 1375352824 /nfs/dbraw/zinc/35/28/24/1375352824.db2.gz WACDRIOESZHFIX-VZZZPGGVSA-N 1 2 335.618 3.033 20 30 EGEDLO CCCCCCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cnnn2C)C1 ZINC001132437506 1375382593 /nfs/dbraw/zinc/38/25/93/1375382593.db2.gz VNGIYKPOBLOZNI-SJORKVTESA-N 1 2 349.523 3.035 20 30 EGEDLO CCCCCCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cnnn2C)C1 ZINC001132437506 1375382597 /nfs/dbraw/zinc/38/25/97/1375382597.db2.gz VNGIYKPOBLOZNI-SJORKVTESA-N 1 2 349.523 3.035 20 30 EGEDLO C#CCCCC(=O)NC1CC[NH+]([C@@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC001227107729 1375390800 /nfs/dbraw/zinc/39/08/00/1375390800.db2.gz HNGMYKKJMBIIDA-HNNXBMFYSA-N 1 2 345.487 3.417 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC001228748894 1375661639 /nfs/dbraw/zinc/66/16/39/1375661639.db2.gz OFXLFJDQOZRBAC-KBPBESRZSA-N 1 2 335.517 3.244 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2ccc3c(n2)CCCC3=O)C1 ZINC001228753004 1375665725 /nfs/dbraw/zinc/66/57/25/1375665725.db2.gz UKUKMNQJTDJBCX-QGZVFWFLSA-N 1 2 347.418 3.126 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccc3c(n2)CCCC3=O)C1 ZINC001228753004 1375665734 /nfs/dbraw/zinc/66/57/34/1375665734.db2.gz UKUKMNQJTDJBCX-QGZVFWFLSA-N 1 2 347.418 3.126 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC1CC[NH+](Cc2ncc(C(C)C)o2)CC1 ZINC001229017810 1375740383 /nfs/dbraw/zinc/74/03/83/1375740383.db2.gz YQIYELWLSWWQMU-IBGZPJMESA-N 1 2 333.476 3.481 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC001230255042 1375978030 /nfs/dbraw/zinc/97/80/30/1375978030.db2.gz SCICQBUCOMOLKL-AWEZNQCLSA-N 1 2 333.395 3.109 20 30 EGEDLO CCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001230775968 1376149801 /nfs/dbraw/zinc/14/98/01/1376149801.db2.gz NXXRKWSNEQURHM-KRWDZBQOSA-N 1 2 331.435 3.310 20 30 EGEDLO CCCCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001230775968 1376149803 /nfs/dbraw/zinc/14/98/03/1376149803.db2.gz NXXRKWSNEQURHM-KRWDZBQOSA-N 1 2 331.435 3.310 20 30 EGEDLO C=C(Cl)C[N@H+](CCCNC(=O)[C@H]1C[C@H]2C[C@H]2C1)Cc1cccnc1 ZINC001230824820 1376160689 /nfs/dbraw/zinc/16/06/89/1376160689.db2.gz RCNNDTWUILGEJX-PIIMJCKOSA-N 1 2 347.890 3.189 20 30 EGEDLO C=C(Cl)C[N@@H+](CCCNC(=O)[C@H]1C[C@H]2C[C@H]2C1)Cc1cccnc1 ZINC001230824820 1376160691 /nfs/dbraw/zinc/16/06/91/1376160691.db2.gz RCNNDTWUILGEJX-PIIMJCKOSA-N 1 2 347.890 3.189 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C(C)(C)C)on3)C[C@H]21 ZINC001188999373 1388431245 /nfs/dbraw/zinc/43/12/45/1388431245.db2.gz LVWRBFMMJTXILO-DOTOQJQBSA-N 1 2 345.487 3.361 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3cc(C(C)(C)C)on3)C[C@H]21 ZINC001188999373 1388431249 /nfs/dbraw/zinc/43/12/49/1388431249.db2.gz LVWRBFMMJTXILO-DOTOQJQBSA-N 1 2 345.487 3.361 20 30 EGEDLO COC(=O)C1(C#N)CC[NH+](Cc2cccc(C)c2OC(C)C)CC1 ZINC001232393884 1376455718 /nfs/dbraw/zinc/45/57/18/1376455718.db2.gz FYZTXXYQUYEILA-UHFFFAOYSA-N 1 2 330.428 3.061 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232673160 1376499424 /nfs/dbraw/zinc/49/94/24/1376499424.db2.gz AZFMSIVJEDASDI-IBGZPJMESA-N 1 2 345.443 3.143 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232673160 1376499444 /nfs/dbraw/zinc/49/94/44/1376499444.db2.gz AZFMSIVJEDASDI-IBGZPJMESA-N 1 2 345.443 3.143 20 30 EGEDLO C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232680659 1376501736 /nfs/dbraw/zinc/50/17/36/1376501736.db2.gz GALBUTXDRJIJKR-OAHLLOKOSA-N 1 2 339.414 3.282 20 30 EGEDLO Cc1ccc(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)c(C#N)c1 ZINC001232966667 1376550155 /nfs/dbraw/zinc/55/01/55/1376550155.db2.gz VLDGTPNZHRLXJV-MJGOQNOKSA-N 1 2 349.434 3.196 20 30 EGEDLO Cc1ccc(C[N@H+]2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)c(C#N)c1 ZINC001232966667 1376550159 /nfs/dbraw/zinc/55/01/59/1376550159.db2.gz VLDGTPNZHRLXJV-MJGOQNOKSA-N 1 2 349.434 3.196 20 30 EGEDLO N#Cc1ccc(C[NH+]2CC3(CN(c4ccccc4)C3=O)C2)c(Cl)c1 ZINC001238086316 1376994528 /nfs/dbraw/zinc/99/45/28/1376994528.db2.gz ZIXDDUBIHXXRCX-UHFFFAOYSA-N 1 2 337.810 3.060 20 30 EGEDLO CC[C@H](C#N)C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001327279963 1388480719 /nfs/dbraw/zinc/48/07/19/1388480719.db2.gz XQQNNBVXNKCADG-CYBMUJFWSA-N 1 2 325.416 3.037 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C1(c2cccc(C)c2)CC1 ZINC001266496060 1377322267 /nfs/dbraw/zinc/32/22/67/1377322267.db2.gz ZWBAQRCNYPJFJF-QGZVFWFLSA-N 1 2 332.875 3.360 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(c2cccc(C)c2)CC1 ZINC001266496060 1377322271 /nfs/dbraw/zinc/32/22/71/1377322271.db2.gz ZWBAQRCNYPJFJF-QGZVFWFLSA-N 1 2 332.875 3.360 20 30 EGEDLO Cc1cc(NC(=O)c2ncc(C#N)cc2Cl)ccc1-n1cc[nH+]c1 ZINC001136624665 1377410722 /nfs/dbraw/zinc/41/07/22/1377410722.db2.gz FAWOWAFAWJFOQS-UHFFFAOYSA-N 1 2 337.770 3.353 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1cnc2ccccc2c1 ZINC001137281384 1377510057 /nfs/dbraw/zinc/51/00/57/1377510057.db2.gz WNGBYNBUBNCZJC-FQEVSTJZSA-N 1 2 348.450 3.270 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1cnc2ccccc2c1 ZINC001137281384 1377510058 /nfs/dbraw/zinc/51/00/58/1377510058.db2.gz WNGBYNBUBNCZJC-FQEVSTJZSA-N 1 2 348.450 3.270 20 30 EGEDLO CC(C)(C)OC(=O)N1CCc2cc(C[N@@H+]3CC[C@H](C#N)C3)ccc2C1 ZINC001137446778 1377549427 /nfs/dbraw/zinc/54/94/27/1377549427.db2.gz KIZVYEBTESROAP-MRXNPFEDSA-N 1 2 341.455 3.325 20 30 EGEDLO CC(C)(C)OC(=O)N1CCc2cc(C[N@H+]3CC[C@H](C#N)C3)ccc2C1 ZINC001137446778 1377549429 /nfs/dbraw/zinc/54/94/29/1377549429.db2.gz KIZVYEBTESROAP-MRXNPFEDSA-N 1 2 341.455 3.325 20 30 EGEDLO COc1ccc(C[NH+]2CCC(Oc3cccc(C)n3)CC2)c(C#N)c1 ZINC001137707068 1377600862 /nfs/dbraw/zinc/60/08/62/1377600862.db2.gz ZVEOKDKESGXHLN-UHFFFAOYSA-N 1 2 337.423 3.314 20 30 EGEDLO OC[C@H]1C[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C[C@@H]1C(F)(F)F ZINC001137860286 1377632879 /nfs/dbraw/zinc/63/28/79/1377632879.db2.gz WBOGEZPBOCUZMD-SKDRFNHKSA-N 1 2 345.258 3.447 20 30 EGEDLO OC[C@H]1C[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C[C@@H]1C(F)(F)F ZINC001137860286 1377632880 /nfs/dbraw/zinc/63/28/80/1377632880.db2.gz WBOGEZPBOCUZMD-SKDRFNHKSA-N 1 2 345.258 3.447 20 30 EGEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1cc(F)cc(F)c1F)CC2 ZINC001137869451 1377633747 /nfs/dbraw/zinc/63/37/47/1377633747.db2.gz OVZHRLZGSRWIFC-UHFFFAOYSA-N 1 2 338.373 3.247 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(F)c(F)cc1F)C2 ZINC001137889976 1377638537 /nfs/dbraw/zinc/63/85/37/1377638537.db2.gz WHVLLVAVYULYTE-RDTXWAMCSA-N 1 2 341.373 3.430 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(F)c(F)cc1F)C2 ZINC001137889976 1377638539 /nfs/dbraw/zinc/63/85/39/1377638539.db2.gz WHVLLVAVYULYTE-RDTXWAMCSA-N 1 2 341.373 3.430 20 30 EGEDLO CC(C)C(=O)N1CC[NH+](Cc2ccc(C#Cc3ccccc3)cc2)CC1 ZINC001138336041 1377704491 /nfs/dbraw/zinc/70/44/91/1377704491.db2.gz IJGHYVFMKYKQAI-UHFFFAOYSA-N 1 2 346.474 3.387 20 30 EGEDLO CC(C)(C)C(=O)Nc1cnccc1C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001138452966 1377726824 /nfs/dbraw/zinc/72/68/24/1377726824.db2.gz TWIKRWPHEZXXDN-UHFFFAOYSA-N 1 2 348.450 3.496 20 30 EGEDLO CC(C)(C)C(=O)Nc1cnccc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001138452966 1377726825 /nfs/dbraw/zinc/72/68/25/1377726825.db2.gz TWIKRWPHEZXXDN-UHFFFAOYSA-N 1 2 348.450 3.496 20 30 EGEDLO C=CCOc1ccccc1C[NH+]1CCN(CCc2ccncc2)CC1 ZINC001139029778 1377819838 /nfs/dbraw/zinc/81/98/38/1377819838.db2.gz NFFZVIHYTUCVSV-UHFFFAOYSA-N 1 2 337.467 3.007 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccnc(Cl)c1F)C2 ZINC001139663554 1377929456 /nfs/dbraw/zinc/92/94/56/1377929456.db2.gz NWXLOAMJDJINDS-RHSMWYFYSA-N 1 2 340.826 3.200 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccnc(Cl)c1F)C2 ZINC001139663554 1377929461 /nfs/dbraw/zinc/92/94/61/1377929461.db2.gz NWXLOAMJDJINDS-RHSMWYFYSA-N 1 2 340.826 3.200 20 30 EGEDLO Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)cc1C#N ZINC001139727732 1377942694 /nfs/dbraw/zinc/94/26/94/1377942694.db2.gz XTZZBPPDIAZVSS-ROUUACIJSA-N 1 2 341.455 3.450 20 30 EGEDLO Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)cc1C#N ZINC001139727732 1377942695 /nfs/dbraw/zinc/94/26/95/1377942695.db2.gz XTZZBPPDIAZVSS-ROUUACIJSA-N 1 2 341.455 3.450 20 30 EGEDLO CCOc1cccc(N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)c1 ZINC001140140308 1378018360 /nfs/dbraw/zinc/01/83/60/1378018360.db2.gz PSEMXYWZSQWROY-UHFFFAOYSA-N 1 2 339.414 3.418 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)c(F)c1 ZINC001140138131 1378018936 /nfs/dbraw/zinc/01/89/36/1378018936.db2.gz FSLASYRJVVATPX-DLBZAZTESA-N 1 2 341.411 3.139 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)c(F)c1 ZINC001140138131 1378018940 /nfs/dbraw/zinc/01/89/40/1378018940.db2.gz FSLASYRJVVATPX-DLBZAZTESA-N 1 2 341.411 3.139 20 30 EGEDLO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(S)cc3)CC2)C1=O ZINC001274110949 1378116523 /nfs/dbraw/zinc/11/65/23/1378116523.db2.gz PCXXLZVRFSVJMH-IBGZPJMESA-N 1 2 330.497 3.366 20 30 EGEDLO C=CCN1CC[C@@]2(CCC[N@H+](Cc3ccc(S)cc3)CC2)C1=O ZINC001274110949 1378116526 /nfs/dbraw/zinc/11/65/26/1378116526.db2.gz PCXXLZVRFSVJMH-IBGZPJMESA-N 1 2 330.497 3.366 20 30 EGEDLO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3ccc(Cl)nn3)C2)c1 ZINC001142073136 1378410659 /nfs/dbraw/zinc/41/06/59/1378410659.db2.gz BPIKYMVIIZAQOB-INIZCTEOSA-N 1 2 328.803 3.045 20 30 EGEDLO N#Cc1cccc(O[C@H]2CCC[N@H+](Cc3ccc(Cl)nn3)C2)c1 ZINC001142073136 1378410660 /nfs/dbraw/zinc/41/06/60/1378410660.db2.gz BPIKYMVIIZAQOB-INIZCTEOSA-N 1 2 328.803 3.045 20 30 EGEDLO C=CCOCc1ncn2c1C[N@H+](Cc1[nH]cnc1C(C)(C)C)CCC2 ZINC001142217881 1378421690 /nfs/dbraw/zinc/42/16/90/1378421690.db2.gz XEAYSYGNBUAKBA-UHFFFAOYSA-N 1 2 343.475 3.012 20 30 EGEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1[nH]cnc1C(C)(C)C)CCC2 ZINC001142217881 1378421691 /nfs/dbraw/zinc/42/16/91/1378421691.db2.gz XEAYSYGNBUAKBA-UHFFFAOYSA-N 1 2 343.475 3.012 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)c1cc(C)co1 ZINC001281952396 1378463119 /nfs/dbraw/zinc/46/31/19/1378463119.db2.gz MDVXNFXWJBZLSI-CYBMUJFWSA-N 1 2 341.249 3.033 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1cc(C)co1 ZINC001281952396 1378463120 /nfs/dbraw/zinc/46/31/20/1378463120.db2.gz MDVXNFXWJBZLSI-CYBMUJFWSA-N 1 2 341.249 3.033 20 30 EGEDLO COc1cccc(O[C@@H]2CC[N@H+](Cc3c(Cl)cccc3C#N)C2)n1 ZINC001143732548 1378639476 /nfs/dbraw/zinc/63/94/76/1378639476.db2.gz ROXCTSFSGJLRCD-CQSZACIVSA-N 1 2 343.814 3.269 20 30 EGEDLO COc1cccc(O[C@@H]2CC[N@@H+](Cc3c(Cl)cccc3C#N)C2)n1 ZINC001143732548 1378639480 /nfs/dbraw/zinc/63/94/80/1378639480.db2.gz ROXCTSFSGJLRCD-CQSZACIVSA-N 1 2 343.814 3.269 20 30 EGEDLO N#CCC[N@H+](Cc1ccc(Cl)cc1)Cc1c(O)cc(O)cc1O ZINC001144514790 1378739859 /nfs/dbraw/zinc/73/98/59/1378739859.db2.gz SDVIZHBQSCLTNT-UHFFFAOYSA-N 1 2 332.787 3.373 20 30 EGEDLO N#CCC[N@@H+](Cc1ccc(Cl)cc1)Cc1c(O)cc(O)cc1O ZINC001144514790 1378739862 /nfs/dbraw/zinc/73/98/62/1378739862.db2.gz SDVIZHBQSCLTNT-UHFFFAOYSA-N 1 2 332.787 3.373 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1coc(C3CC3)n1)C2 ZINC001148095986 1379117309 /nfs/dbraw/zinc/11/73/09/1379117309.db2.gz SHOGFEGPZQGSRA-GJZGRUSLSA-N 1 2 343.471 3.045 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1coc(C3CC3)n1)C2 ZINC001148095986 1379117312 /nfs/dbraw/zinc/11/73/12/1379117312.db2.gz SHOGFEGPZQGSRA-GJZGRUSLSA-N 1 2 343.471 3.045 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C(C)C)o1)C2 ZINC001148129798 1379122767 /nfs/dbraw/zinc/12/27/67/1379122767.db2.gz JQTOFYBJMANQAK-INIZCTEOSA-N 1 2 345.487 3.435 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C(C)C)o1)C2 ZINC001148129798 1379122768 /nfs/dbraw/zinc/12/27/68/1379122768.db2.gz JQTOFYBJMANQAK-INIZCTEOSA-N 1 2 345.487 3.435 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@H+](CC(=C)Br)C2 ZINC001148147762 1379125724 /nfs/dbraw/zinc/12/57/24/1379125724.db2.gz ZCNDDSSECAAWNW-ZDUSSCGKSA-N 1 2 341.293 3.032 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](CC(=C)Br)C2 ZINC001148147762 1379125727 /nfs/dbraw/zinc/12/57/27/1379125727.db2.gz ZCNDDSSECAAWNW-ZDUSSCGKSA-N 1 2 341.293 3.032 20 30 EGEDLO CCCCCCCCC(=O)N1CC2(C1)CC[N@H+](Cc1nonc1C)C2 ZINC001148666074 1379237217 /nfs/dbraw/zinc/23/72/17/1379237217.db2.gz KEXGQFIXPRYVMO-UHFFFAOYSA-N 1 2 348.491 3.163 20 30 EGEDLO CCCCCCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nonc1C)C2 ZINC001148666074 1379237225 /nfs/dbraw/zinc/23/72/25/1379237225.db2.gz KEXGQFIXPRYVMO-UHFFFAOYSA-N 1 2 348.491 3.163 20 30 EGEDLO CCCCCCCCC(=O)NCC[NH2+]Cc1nc(C(C)(C)C)no1 ZINC001148727842 1379254844 /nfs/dbraw/zinc/25/48/44/1379254844.db2.gz NUGQOXLDTCUZLK-UHFFFAOYSA-N 1 2 338.496 3.324 20 30 EGEDLO CC(C)Oc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1C#N ZINC001148772500 1379265865 /nfs/dbraw/zinc/26/58/65/1379265865.db2.gz RTYSCDRGNNAZHG-UHFFFAOYSA-N 1 2 338.411 3.019 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@H+](CC=C(Cl)Cl)CCCO1 ZINC001150370986 1379540232 /nfs/dbraw/zinc/54/02/32/1379540232.db2.gz DXMDGYZNHUKUQT-CYBMUJFWSA-N 1 2 349.302 3.115 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@@H+](CC=C(Cl)Cl)CCCO1 ZINC001150370986 1379540236 /nfs/dbraw/zinc/54/02/36/1379540236.db2.gz DXMDGYZNHUKUQT-CYBMUJFWSA-N 1 2 349.302 3.115 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](CCC)C(C)C)C1 ZINC001150385470 1379543072 /nfs/dbraw/zinc/54/30/72/1379543072.db2.gz BRGHAAQFBMYVHJ-CVEARBPZSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H](CCC)C(C)C)C1 ZINC001150385470 1379543077 /nfs/dbraw/zinc/54/30/77/1379543077.db2.gz BRGHAAQFBMYVHJ-CVEARBPZSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1sccc1C ZINC001151644437 1379755390 /nfs/dbraw/zinc/75/53/90/1379755390.db2.gz XTILPFDUMRLGKM-GFCCVEGCSA-N 1 2 345.306 3.405 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1sccc1C ZINC001151644437 1379755393 /nfs/dbraw/zinc/75/53/93/1379755393.db2.gz XTILPFDUMRLGKM-GFCCVEGCSA-N 1 2 345.306 3.405 20 30 EGEDLO C=CC[C@@H](C(=O)NCC[NH2+]Cc1ncc(C(C)C)o1)c1ccccc1 ZINC001151842567 1379796632 /nfs/dbraw/zinc/79/66/32/1379796632.db2.gz PWHZYDTXCGRYAM-QGZVFWFLSA-N 1 2 341.455 3.364 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1nc(C)oc1C ZINC001153588355 1380099202 /nfs/dbraw/zinc/09/92/02/1380099202.db2.gz SJDIELASZYVPBH-LLVKDONJSA-N 1 2 341.883 3.397 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc(C)oc1C ZINC001153588355 1380099204 /nfs/dbraw/zinc/09/92/04/1380099204.db2.gz SJDIELASZYVPBH-LLVKDONJSA-N 1 2 341.883 3.397 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1csnc1OC ZINC001153608716 1380102704 /nfs/dbraw/zinc/10/27/04/1380102704.db2.gz NYICIWPFBPLXMF-CYBMUJFWSA-N 1 2 339.505 3.081 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1csnc1OC ZINC001153608716 1380102706 /nfs/dbraw/zinc/10/27/06/1380102706.db2.gz NYICIWPFBPLXMF-CYBMUJFWSA-N 1 2 339.505 3.081 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C1(C2CC2)CC1 ZINC001153956427 1380161938 /nfs/dbraw/zinc/16/19/38/1380161938.db2.gz FSLHJRCDWGSSCI-CQSZACIVSA-N 1 2 343.446 3.214 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C1(C2CC2)CC1 ZINC001153956427 1380161944 /nfs/dbraw/zinc/16/19/44/1380161944.db2.gz FSLHJRCDWGSSCI-CQSZACIVSA-N 1 2 343.446 3.214 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@@H](C)C1CCC1 ZINC001153975259 1380166674 /nfs/dbraw/zinc/16/66/74/1380166674.db2.gz VKHQUIFCPZNZBD-CABCVRRESA-N 1 2 345.462 3.460 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@@H](C)C1CCC1 ZINC001153975259 1380166676 /nfs/dbraw/zinc/16/66/76/1380166676.db2.gz VKHQUIFCPZNZBD-CABCVRRESA-N 1 2 345.462 3.460 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1c(F)cccc1F ZINC001154719465 1380339618 /nfs/dbraw/zinc/33/96/18/1380339618.db2.gz DDJIQEMCWSJQRP-OAHLLOKOSA-N 1 2 336.426 3.485 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1c(F)cccc1F ZINC001154719465 1380339622 /nfs/dbraw/zinc/33/96/22/1380339622.db2.gz DDJIQEMCWSJQRP-OAHLLOKOSA-N 1 2 336.426 3.485 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)/C=C\C1CC1 ZINC001157755231 1381022603 /nfs/dbraw/zinc/02/26/03/1381022603.db2.gz OQHJGDDCMFTYJR-WHLNPGIBSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)/C=C\C1CC1 ZINC001157755231 1381022609 /nfs/dbraw/zinc/02/26/09/1381022609.db2.gz OQHJGDDCMFTYJR-WHLNPGIBSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)CC1CCC1 ZINC001157754763 1381022619 /nfs/dbraw/zinc/02/26/19/1381022619.db2.gz INXYQVKIIHEXJH-OAHLLOKOSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CC1CCC1 ZINC001157754763 1381022622 /nfs/dbraw/zinc/02/26/22/1381022622.db2.gz INXYQVKIIHEXJH-OAHLLOKOSA-N 1 2 343.309 3.398 20 30 EGEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncoc1C(C)C ZINC001157885469 1381060328 /nfs/dbraw/zinc/06/03/28/1381060328.db2.gz WZKVYSBUJFFHHK-QGZVFWFLSA-N 1 2 345.487 3.414 20 30 EGEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncoc1C(C)C ZINC001157885469 1381060330 /nfs/dbraw/zinc/06/03/30/1381060330.db2.gz WZKVYSBUJFFHHK-QGZVFWFLSA-N 1 2 345.487 3.414 20 30 EGEDLO CCc1nc(C[N@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)C)cs1 ZINC001157931274 1381075360 /nfs/dbraw/zinc/07/53/60/1381075360.db2.gz ZQJJSCHNBRVKHO-QGZVFWFLSA-N 1 2 347.528 3.178 20 30 EGEDLO CCc1nc(C[N@@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)C)cs1 ZINC001157931274 1381075366 /nfs/dbraw/zinc/07/53/66/1381075366.db2.gz ZQJJSCHNBRVKHO-QGZVFWFLSA-N 1 2 347.528 3.178 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC001158005429 1381100378 /nfs/dbraw/zinc/10/03/78/1381100378.db2.gz VBOZISBPDTVVHQ-GDBMZVCRSA-N 1 2 348.491 3.354 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@H](C)c1nc(C)no1 ZINC001158005429 1381100380 /nfs/dbraw/zinc/10/03/80/1381100380.db2.gz VBOZISBPDTVVHQ-GDBMZVCRSA-N 1 2 348.491 3.354 20 30 EGEDLO CC#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1csc(C)n1 ZINC001158358031 1381216626 /nfs/dbraw/zinc/21/66/26/1381216626.db2.gz VANCYYSWGPGJTB-GOSISDBHSA-N 1 2 347.528 3.458 20 30 EGEDLO CC#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1csc(C)n1 ZINC001158358031 1381216633 /nfs/dbraw/zinc/21/66/33/1381216633.db2.gz VANCYYSWGPGJTB-GOSISDBHSA-N 1 2 347.528 3.458 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccn(CC)n1 ZINC001158419461 1381239326 /nfs/dbraw/zinc/23/93/26/1381239326.db2.gz QPMRZKHWRDUPKW-GOSISDBHSA-N 1 2 332.492 3.072 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccn(CC)n1 ZINC001158419461 1381239331 /nfs/dbraw/zinc/23/93/31/1381239331.db2.gz QPMRZKHWRDUPKW-GOSISDBHSA-N 1 2 332.492 3.072 20 30 EGEDLO N#Cc1cc(N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)nc2ccccc12 ZINC001158628096 1381331145 /nfs/dbraw/zinc/33/11/45/1381331145.db2.gz JMBHVVROZVZANT-QGZVFWFLSA-N 1 2 342.393 3.416 20 30 EGEDLO CCC(=O)NCCC1=CC[N@H+](CC#Cc2ccccc2Cl)CC1 ZINC001159015998 1381512758 /nfs/dbraw/zinc/51/27/58/1381512758.db2.gz HOHAHTKLANIGLC-UHFFFAOYSA-N 1 2 330.859 3.240 20 30 EGEDLO CCC(=O)NCCC1=CC[N@@H+](CC#Cc2ccccc2Cl)CC1 ZINC001159015998 1381512764 /nfs/dbraw/zinc/51/27/64/1381512764.db2.gz HOHAHTKLANIGLC-UHFFFAOYSA-N 1 2 330.859 3.240 20 30 EGEDLO CC[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2cc(F)ccc2C#N)CC1 ZINC001159326119 1381763429 /nfs/dbraw/zinc/76/34/29/1381763429.db2.gz ZGVRNIRSBBXMAL-HNNXBMFYSA-N 1 2 343.446 3.382 20 30 EGEDLO CC[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2cc(F)ccc2C#N)CC1 ZINC001159326119 1381763431 /nfs/dbraw/zinc/76/34/31/1381763431.db2.gz ZGVRNIRSBBXMAL-HNNXBMFYSA-N 1 2 343.446 3.382 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@H+](Cc2ncc(C)o2)CC1 ZINC001160242052 1382045699 /nfs/dbraw/zinc/04/56/99/1382045699.db2.gz BTXWSSHKCFBLTE-UHFFFAOYSA-N 1 2 331.460 3.224 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@@H+](Cc2ncc(C)o2)CC1 ZINC001160242052 1382045704 /nfs/dbraw/zinc/04/57/04/1382045704.db2.gz BTXWSSHKCFBLTE-UHFFFAOYSA-N 1 2 331.460 3.224 20 30 EGEDLO C=C(C)CCC(=O)NCCC1=CC[N@H+](Cc2csc(C)n2)CC1 ZINC001160264708 1382054993 /nfs/dbraw/zinc/05/49/93/1382054993.db2.gz YNLJDYHABXJMSZ-UHFFFAOYSA-N 1 2 333.501 3.446 20 30 EGEDLO C=C(C)CCC(=O)NCCC1=CC[N@@H+](Cc2csc(C)n2)CC1 ZINC001160264708 1382054998 /nfs/dbraw/zinc/05/49/98/1382054998.db2.gz YNLJDYHABXJMSZ-UHFFFAOYSA-N 1 2 333.501 3.446 20 30 EGEDLO N#Cc1ccc2cc[nH+]c(NC[C@@H]3CN(c4ccccc4)CCO3)c2c1 ZINC001160575384 1382146201 /nfs/dbraw/zinc/14/62/01/1382146201.db2.gz GSYGXGMGFGZXME-LJQANCHMSA-N 1 2 344.418 3.424 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@H+]([C@H](C)c2nc(C)no2)CC1 ZINC001160860704 1382218103 /nfs/dbraw/zinc/21/81/03/1382218103.db2.gz MTSJHQIEMLCBBH-CQSZACIVSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@@H+]([C@H](C)c2nc(C)no2)CC1 ZINC001160860704 1382218106 /nfs/dbraw/zinc/21/81/06/1382218106.db2.gz MTSJHQIEMLCBBH-CQSZACIVSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@H+](Cc2ccn(CC)n2)CC1 ZINC001161116748 1382305185 /nfs/dbraw/zinc/30/51/85/1382305185.db2.gz QSCKVJKBJDNWHR-HXUWFJFHSA-N 1 2 344.503 3.144 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@@H+](Cc2ccn(CC)n2)CC1 ZINC001161116748 1382305189 /nfs/dbraw/zinc/30/51/89/1382305189.db2.gz QSCKVJKBJDNWHR-HXUWFJFHSA-N 1 2 344.503 3.144 20 30 EGEDLO Cc1oncc1CNc1cc(/C=N/[S@](=O)C(C)(C)C)cc(C)[nH+]1 ZINC001162268836 1382718112 /nfs/dbraw/zinc/71/81/12/1382718112.db2.gz CQMAMICFZJRDHL-YUGAPYPNSA-N 1 2 334.445 3.180 20 30 EGEDLO N#CCc1cc[nH+]c(N[C@H](Cc2ccccc2)C(=O)N2CCCCC2)c1 ZINC001162484742 1382771110 /nfs/dbraw/zinc/77/11/10/1382771110.db2.gz GLWAASJEIHSOKU-LJQANCHMSA-N 1 2 348.450 3.183 20 30 EGEDLO Cc1[nH+]ccc(NC(=NO)c2ccc(OC(F)(F)F)cc2)c1F ZINC001163769087 1383120250 /nfs/dbraw/zinc/12/02/50/1383120250.db2.gz OFEOZTABBWUHBN-UHFFFAOYSA-N 1 2 329.253 3.098 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC[NH2+]Cc1noc(C2CCCCC2)n1 ZINC001164346934 1383179568 /nfs/dbraw/zinc/17/95/68/1383179568.db2.gz YLDSZQINJQKIRH-HNNXBMFYSA-N 1 2 348.491 3.316 20 30 EGEDLO C[C@@H]1CCCN(c2cc(N3CCc4cc(C#N)ccc4C3)nc[nH+]2)C1 ZINC001164484637 1383191985 /nfs/dbraw/zinc/19/19/85/1383191985.db2.gz LBZGVTQTXZWRFM-OAHLLOKOSA-N 1 2 333.439 3.147 20 30 EGEDLO C[C@@H]1CCCN(c2cc(N3CCc4cc(C#N)ccc4C3)[nH+]cn2)C1 ZINC001164484637 1383191986 /nfs/dbraw/zinc/19/19/86/1383191986.db2.gz LBZGVTQTXZWRFM-OAHLLOKOSA-N 1 2 333.439 3.147 20 30 EGEDLO CCOC(=O)c1cc2cc[nH+]c(N(C)Cc3ccc(C#N)cc3)c2[nH]1 ZINC001166539901 1383435123 /nfs/dbraw/zinc/43/51/23/1383435123.db2.gz WYFWAOCNSLZNPZ-UHFFFAOYSA-N 1 2 334.379 3.248 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC[NH2+]Cc1noc(C2CCCCC2)n1 ZINC001167362806 1383610627 /nfs/dbraw/zinc/61/06/27/1383610627.db2.gz BMLHPZNLPJRHLX-UHFFFAOYSA-N 1 2 348.491 3.316 20 30 EGEDLO COC(=O)[C@H](CS)[NH2+]C1CCC(c2ccc(Cl)cc2)CC1 ZINC001168337973 1383877904 /nfs/dbraw/zinc/87/79/04/1383877904.db2.gz TUXROXVEZZOMSY-ZALBZXLWSA-N 1 2 327.877 3.427 20 30 EGEDLO C=CC[C@@](C)([NH2+][C@H]1CCO[C@H](c2ccc(OC)cc2)C1)C(=O)OC ZINC001168631701 1383953142 /nfs/dbraw/zinc/95/31/42/1383953142.db2.gz VVLXAWCTOQBKGV-VDZJLULYSA-N 1 2 333.428 3.013 20 30 EGEDLO CCOC(=O)n1nc2c(c1Nc1cccc(C)c1C#N)C[NH2+]C2(C)C ZINC001170759511 1384381039 /nfs/dbraw/zinc/38/10/39/1384381039.db2.gz DPHHBLNKRCGHDV-UHFFFAOYSA-N 1 2 339.399 3.150 20 30 EGEDLO CCC1(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2F)CCC1 ZINC001316602593 1384469991 /nfs/dbraw/zinc/46/99/91/1384469991.db2.gz UVLFDQFZEAXPBG-QGZVFWFLSA-N 1 2 343.446 3.310 20 30 EGEDLO CCC1(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2F)CCC1 ZINC001316602593 1384469993 /nfs/dbraw/zinc/46/99/93/1384469993.db2.gz UVLFDQFZEAXPBG-QGZVFWFLSA-N 1 2 343.446 3.310 20 30 EGEDLO C[C@H](Cc1cccc(C#N)c1)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001171230684 1384474779 /nfs/dbraw/zinc/47/47/79/1384474779.db2.gz GBXRJEWEFMADHP-QAPCUYQASA-N 1 2 333.426 3.295 20 30 EGEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1Cc2nnc(C(F)(F)F)n2[C@@H](C)C1 ZINC001172312568 1384767418 /nfs/dbraw/zinc/76/74/18/1384767418.db2.gz GZMFEIAGRGRZAF-RYUDHWBXSA-N 1 2 349.360 3.176 20 30 EGEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1Cc2nnc(C(F)(F)F)n2[C@@H](C)C1 ZINC001172312568 1384767427 /nfs/dbraw/zinc/76/74/27/1384767427.db2.gz GZMFEIAGRGRZAF-RYUDHWBXSA-N 1 2 349.360 3.176 20 30 EGEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](C)CCOCC(C)C ZINC001172458571 1384796985 /nfs/dbraw/zinc/79/69/85/1384796985.db2.gz AKDKFYHFRMETEX-MJGOQNOKSA-N 1 2 333.472 3.368 20 30 EGEDLO CCOC(=O)[C@H]1c2ccc(OC)cc2CC[N@@H+]1[C@@H](C)CCCC#N ZINC001172506076 1384806439 /nfs/dbraw/zinc/80/64/39/1384806439.db2.gz NBZWLMGUXJYJAQ-KBXCAEBGSA-N 1 2 330.428 3.240 20 30 EGEDLO CCOC(=O)[C@H]1c2ccc(OC)cc2CC[N@H+]1[C@@H](C)CCCC#N ZINC001172506076 1384806441 /nfs/dbraw/zinc/80/64/41/1384806441.db2.gz NBZWLMGUXJYJAQ-KBXCAEBGSA-N 1 2 330.428 3.240 20 30 EGEDLO Cc1cc(C#N)c(Nc2ccc(OCC[NH+]3CCOCC3)cc2)s1 ZINC001174429866 1385107326 /nfs/dbraw/zinc/10/73/26/1385107326.db2.gz HLZAZXSZNFMKPP-UHFFFAOYSA-N 1 2 343.452 3.383 20 30 EGEDLO COC(=O)c1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)c(C#N)c1 ZINC001174524274 1385116581 /nfs/dbraw/zinc/11/65/81/1385116581.db2.gz CLBOTUFEEAQBSX-UHFFFAOYSA-N 1 2 336.395 3.474 20 30 EGEDLO Cc1cccc(C(=O)NCC[N@@H+](C)Cc2ccc(C#N)cc2F)c1C ZINC001317470405 1385164725 /nfs/dbraw/zinc/16/47/25/1385164725.db2.gz ZPBZGXRWQWCKGH-UHFFFAOYSA-N 1 2 339.414 3.176 20 30 EGEDLO Cc1cccc(C(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2F)c1C ZINC001317470405 1385164726 /nfs/dbraw/zinc/16/47/26/1385164726.db2.gz ZPBZGXRWQWCKGH-UHFFFAOYSA-N 1 2 339.414 3.176 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cc2cccc(OC)c2o1 ZINC001317483177 1385179991 /nfs/dbraw/zinc/17/99/91/1385179991.db2.gz ATWFZVILDVAPKC-UHFFFAOYSA-N 1 2 336.819 3.246 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cc2cccc(OC)c2o1 ZINC001317483177 1385179992 /nfs/dbraw/zinc/17/99/92/1385179992.db2.gz ATWFZVILDVAPKC-UHFFFAOYSA-N 1 2 336.819 3.246 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)C[C@H](C)c1c(C)noc1C)C1CC1 ZINC001317553124 1385316205 /nfs/dbraw/zinc/31/62/05/1385316205.db2.gz GWBMMBYMQZRBNW-NSHDSACASA-N 1 2 339.867 3.118 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)C[C@H](C)c1c(C)noc1C)C1CC1 ZINC001317553124 1385316209 /nfs/dbraw/zinc/31/62/09/1385316209.db2.gz GWBMMBYMQZRBNW-NSHDSACASA-N 1 2 339.867 3.118 20 30 EGEDLO Cc1c[nH+]c(Nc2ccc(S(=O)(=O)OCC(C)(C)C)cc2)c(N)c1 ZINC001176260961 1385530905 /nfs/dbraw/zinc/53/09/05/1385530905.db2.gz VDFMDDMRDTVBMQ-UHFFFAOYSA-N 1 2 349.456 3.467 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]([NH2+]Cc2nc(C3CCC3)no2)[C@@H]1C ZINC001179388674 1386471725 /nfs/dbraw/zinc/47/17/25/1386471725.db2.gz NFTXVXGRIGRVTQ-DZKIICNBSA-N 1 2 346.475 3.018 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)C(C1CC1)C1CC1 ZINC001320067734 1386487940 /nfs/dbraw/zinc/48/79/40/1386487940.db2.gz CVLKRJGWPCIXPB-UHFFFAOYSA-N 1 2 343.446 3.024 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)C(C1CC1)C1CC1 ZINC001320067734 1386487946 /nfs/dbraw/zinc/48/79/46/1386487946.db2.gz CVLKRJGWPCIXPB-UHFFFAOYSA-N 1 2 343.446 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCc1ccc(F)cc1F ZINC001322274136 1387133361 /nfs/dbraw/zinc/13/33/61/1387133361.db2.gz MBLZSWVSTJSIBE-GFCCVEGCSA-N 1 2 330.806 3.086 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCc1ccc(F)cc1F ZINC001322274136 1387133362 /nfs/dbraw/zinc/13/33/62/1387133362.db2.gz MBLZSWVSTJSIBE-GFCCVEGCSA-N 1 2 330.806 3.086 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc(-c3ccccc3)c(F)c2)CC1 ZINC001182686538 1387206874 /nfs/dbraw/zinc/20/68/74/1387206874.db2.gz DYIHGCBZQMEBAW-UHFFFAOYSA-N 1 2 338.426 3.365 20 30 EGEDLO N#CCc1cccc(C(=O)N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)c1 ZINC001337377218 1389323643 /nfs/dbraw/zinc/32/36/43/1389323643.db2.gz KIXSHMGXBKBMFB-GOSISDBHSA-N 1 2 339.826 3.193 20 30 EGEDLO C=CCN(Cc1cccs1)c1nnc([C@H]2CCCC[N@@H+]2C)n1C ZINC001338577816 1389710342 /nfs/dbraw/zinc/71/03/42/1389710342.db2.gz CENNDXIXZKHLLM-OAHLLOKOSA-N 1 2 331.489 3.226 20 30 EGEDLO C=CCN(Cc1cccs1)c1nnc([C@H]2CCCC[N@H+]2C)n1C ZINC001338577816 1389710346 /nfs/dbraw/zinc/71/03/46/1389710346.db2.gz CENNDXIXZKHLLM-OAHLLOKOSA-N 1 2 331.489 3.226 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@H](C2CCC2)C1 ZINC001338895659 1389810222 /nfs/dbraw/zinc/81/02/22/1389810222.db2.gz KVIXJFLTXNRFLK-DLBZAZTESA-N 1 2 329.492 3.247 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H](C2CCC2)C1 ZINC001338895659 1389810225 /nfs/dbraw/zinc/81/02/25/1389810225.db2.gz KVIXJFLTXNRFLK-DLBZAZTESA-N 1 2 329.492 3.247 20 30 EGEDLO CC[C@@H](C)N(CC)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC ZINC001341036549 1390429647 /nfs/dbraw/zinc/42/96/47/1390429647.db2.gz PVGIRGGXHDDRNC-OAHLLOKOSA-N 1 2 332.496 3.016 20 30 EGEDLO C=C(C)CN(CC)c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1CC(C)C ZINC001342733162 1390646851 /nfs/dbraw/zinc/64/68/51/1390646851.db2.gz XHKDOLFYAHLZSV-KRWDZBQOSA-N 1 2 349.523 3.118 20 30 EGEDLO C=C(C)CN(CC)c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1CC(C)C ZINC001342733162 1390646855 /nfs/dbraw/zinc/64/68/55/1390646855.db2.gz XHKDOLFYAHLZSV-KRWDZBQOSA-N 1 2 349.523 3.118 20 30 EGEDLO CC(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC(CC#N)CC1 ZINC001343506299 1390718555 /nfs/dbraw/zinc/71/85/55/1390718555.db2.gz FQCHRWJUTAPTBP-KRWDZBQOSA-N 1 2 344.507 3.221 20 30 EGEDLO CC(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC(CC#N)CC1 ZINC001343506299 1390718556 /nfs/dbraw/zinc/71/85/56/1390718556.db2.gz FQCHRWJUTAPTBP-KRWDZBQOSA-N 1 2 344.507 3.221 20 30 EGEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCCCCCC1 ZINC001351545502 1391650747 /nfs/dbraw/zinc/65/07/47/1391650747.db2.gz VMEJTZIGGHQOMU-QGZVFWFLSA-N 1 2 347.507 3.016 20 30 EGEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCCCCCC1 ZINC001351545502 1391650749 /nfs/dbraw/zinc/65/07/49/1391650749.db2.gz VMEJTZIGGHQOMU-QGZVFWFLSA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC001479829012 1392415805 /nfs/dbraw/zinc/41/58/05/1392415805.db2.gz ICWDQBYTMRXOSG-MLGOLLRUSA-N 1 2 336.867 3.012 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)CCCc1ccccn1 ZINC001480332683 1392691929 /nfs/dbraw/zinc/69/19/29/1392691929.db2.gz NPFUPXFRIWLLJT-KRWDZBQOSA-N 1 2 335.879 3.128 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)CCCc1ccccn1 ZINC001480332683 1392691930 /nfs/dbraw/zinc/69/19/30/1392691930.db2.gz NPFUPXFRIWLLJT-KRWDZBQOSA-N 1 2 335.879 3.128 20 30 EGEDLO Cc1cccc2c(C(=O)NCC[N@@H+](C)Cc3ccccc3C#N)coc21 ZINC001480874148 1392992889 /nfs/dbraw/zinc/99/28/89/1392992889.db2.gz SZAKVZHEUDYJGO-UHFFFAOYSA-N 1 2 347.418 3.475 20 30 EGEDLO Cc1cccc2c(C(=O)NCC[N@H+](C)Cc3ccccc3C#N)coc21 ZINC001480874148 1392992892 /nfs/dbraw/zinc/99/28/92/1392992892.db2.gz SZAKVZHEUDYJGO-UHFFFAOYSA-N 1 2 347.418 3.475 20 30 EGEDLO N#Cc1ccc(C[N@H+](CCNC(=O)c2cccs2)C2CC2)c(F)c1 ZINC001481158191 1393137909 /nfs/dbraw/zinc/13/79/09/1393137909.db2.gz CQYCIVNBBIKCIX-UHFFFAOYSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(C[N@@H+](CCNC(=O)c2cccs2)C2CC2)c(F)c1 ZINC001481158191 1393137910 /nfs/dbraw/zinc/13/79/10/1393137910.db2.gz CQYCIVNBBIKCIX-UHFFFAOYSA-N 1 2 343.427 3.153 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cc1cc(F)c(C)cc1F)C1CC1 ZINC001481179316 1393142940 /nfs/dbraw/zinc/14/29/40/1393142940.db2.gz XPZSWXPZCMNXTA-UHFFFAOYSA-N 1 2 342.817 3.149 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)Cc1cc(F)c(C)cc1F)C1CC1 ZINC001481179316 1393142941 /nfs/dbraw/zinc/14/29/41/1393142941.db2.gz XPZSWXPZCMNXTA-UHFFFAOYSA-N 1 2 342.817 3.149 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)C2Cc3ccccc3C2)C1 ZINC001481407205 1394261143 /nfs/dbraw/zinc/26/11/43/1394261143.db2.gz ANWKQKSBFJSWLF-LJQANCHMSA-N 1 2 346.902 3.467 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)C2Cc3ccccc3C2)C1 ZINC001481407205 1394261149 /nfs/dbraw/zinc/26/11/49/1394261149.db2.gz ANWKQKSBFJSWLF-LJQANCHMSA-N 1 2 346.902 3.467 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC001481689300 1394451455 /nfs/dbraw/zinc/45/14/55/1394451455.db2.gz PSGKYSPWRUPMDJ-SFHVURJKSA-N 1 2 334.410 3.424 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC001481689300 1394451457 /nfs/dbraw/zinc/45/14/57/1394451457.db2.gz PSGKYSPWRUPMDJ-SFHVURJKSA-N 1 2 334.410 3.424 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3cncc(F)c3)C2)CCCC1 ZINC001481697392 1394458947 /nfs/dbraw/zinc/45/89/47/1394458947.db2.gz MVYUTZRBIVPGMQ-KRWDZBQOSA-N 1 2 331.435 3.048 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3cncc(F)c3)C2)CCCC1 ZINC001481697392 1394458948 /nfs/dbraw/zinc/45/89/48/1394458948.db2.gz MVYUTZRBIVPGMQ-KRWDZBQOSA-N 1 2 331.435 3.048 20 30 EGEDLO Cc1scc(C(=O)N(C)CC[N@H+](C)Cc2ccccc2C#N)c1C ZINC001698988198 1406774054 /nfs/dbraw/zinc/77/40/54/1406774054.db2.gz SHGIDGWDYWZRIN-UHFFFAOYSA-N 1 2 341.480 3.441 20 30 EGEDLO Cc1scc(C(=O)N(C)CC[N@@H+](C)Cc2ccccc2C#N)c1C ZINC001698988198 1406774058 /nfs/dbraw/zinc/77/40/58/1406774058.db2.gz SHGIDGWDYWZRIN-UHFFFAOYSA-N 1 2 341.480 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCc1cc(F)ccc1F ZINC001485388656 1395877093 /nfs/dbraw/zinc/87/70/93/1395877093.db2.gz OLHDEPQVWHFNGL-GFCCVEGCSA-N 1 2 330.806 3.086 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCc1cc(F)ccc1F ZINC001485388656 1395877100 /nfs/dbraw/zinc/87/71/00/1395877100.db2.gz OLHDEPQVWHFNGL-GFCCVEGCSA-N 1 2 330.806 3.086 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnc(-c2ccco2)s1 ZINC001493049078 1396334295 /nfs/dbraw/zinc/33/42/95/1396334295.db2.gz GJTOUXMDLDKXIW-UHFFFAOYSA-N 1 2 339.848 3.207 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnc(-c2ccco2)s1 ZINC001493049078 1396334296 /nfs/dbraw/zinc/33/42/96/1396334296.db2.gz GJTOUXMDLDKXIW-UHFFFAOYSA-N 1 2 339.848 3.207 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)Cc1ccc(F)cc1F ZINC001690448964 1404572981 /nfs/dbraw/zinc/57/29/81/1404572981.db2.gz VLQHOMSKUSAHFC-HNNXBMFYSA-N 1 2 342.817 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)Cc1ccc(F)cc1F ZINC001690448964 1404572985 /nfs/dbraw/zinc/57/29/85/1404572985.db2.gz VLQHOMSKUSAHFC-HNNXBMFYSA-N 1 2 342.817 3.231 20 30 EGEDLO CC(C)C[C@@H](C)CC(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001692344693 1405962971 /nfs/dbraw/zinc/96/29/71/1405962971.db2.gz YQWHZJWBBUJTFS-OAHLLOKOSA-N 1 2 345.462 3.318 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1cc(F)c(C)cc1F ZINC001699453073 1412794855 /nfs/dbraw/zinc/79/48/55/1412794855.db2.gz BBIWIHSDHUOWOV-LBPRGKRZSA-N 1 2 330.806 3.005 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1cc(F)c(C)cc1F ZINC001699453073 1412794859 /nfs/dbraw/zinc/79/48/59/1412794859.db2.gz BBIWIHSDHUOWOV-LBPRGKRZSA-N 1 2 330.806 3.005 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)CC(C)(C)C ZINC001700350588 1413842665 /nfs/dbraw/zinc/84/26/65/1413842665.db2.gz QYTOWDUQSTYVQK-ZDUSSCGKSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CC(C)(C)C ZINC001700350588 1413842669 /nfs/dbraw/zinc/84/26/69/1413842669.db2.gz QYTOWDUQSTYVQK-ZDUSSCGKSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCc2ccsc2)[C@H]1C ZINC001700880113 1414535862 /nfs/dbraw/zinc/53/58/62/1414535862.db2.gz VZRAPJRYTSZMMC-HIFRSBDPSA-N 1 2 326.893 3.402 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCc2ccsc2)[C@H]1C ZINC001700880113 1414535863 /nfs/dbraw/zinc/53/58/63/1414535863.db2.gz VZRAPJRYTSZMMC-HIFRSBDPSA-N 1 2 326.893 3.402 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(CCC)C(=O)C2CC2)CC1 ZINC001713100119 1417651673 /nfs/dbraw/zinc/65/16/73/1417651673.db2.gz PFLYGWXNMJKBQL-UHFFFAOYSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)CC(C)(C)CC ZINC001713506985 1418229840 /nfs/dbraw/zinc/22/98/40/1418229840.db2.gz GOLRHKYEFBEQJI-ZDUSSCGKSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)CC(C)(C)CC ZINC001713506985 1418229845 /nfs/dbraw/zinc/22/98/45/1418229845.db2.gz GOLRHKYEFBEQJI-ZDUSSCGKSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cc(C)sn2)C1 ZINC001713716808 1418482750 /nfs/dbraw/zinc/48/27/50/1418482750.db2.gz XISJQWHQAZGJBP-CYBMUJFWSA-N 1 2 327.881 3.131 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cc(C)sn2)C1 ZINC001713716808 1418482753 /nfs/dbraw/zinc/48/27/53/1418482753.db2.gz XISJQWHQAZGJBP-CYBMUJFWSA-N 1 2 327.881 3.131 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)CC(CC)CC ZINC001714615890 1419377738 /nfs/dbraw/zinc/37/77/38/1419377738.db2.gz FWGQFHDMAZZMCI-AWEZNQCLSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)CC(CC)CC ZINC001714615890 1419377742 /nfs/dbraw/zinc/37/77/42/1419377742.db2.gz FWGQFHDMAZZMCI-AWEZNQCLSA-N 1 2 331.298 3.302 20 30 EGEDLO CC[C@H](CC(C)C)C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001714976325 1419710701 /nfs/dbraw/zinc/71/07/01/1419710701.db2.gz LDOIWZIFNXUEMH-QGZVFWFLSA-N 1 2 345.462 3.318 20 30 EGEDLO Cc1cc(C)c(C(=O)N(C)CC[N@H+](C)Cc2ccc(C#N)cc2F)o1 ZINC001715515727 1420201270 /nfs/dbraw/zinc/20/12/70/1420201270.db2.gz OIMNOCNQILWDHC-UHFFFAOYSA-N 1 2 343.402 3.111 20 30 EGEDLO Cc1cc(C)c(C(=O)N(C)CC[N@@H+](C)Cc2ccc(C#N)cc2F)o1 ZINC001715515727 1420201272 /nfs/dbraw/zinc/20/12/72/1420201272.db2.gz OIMNOCNQILWDHC-UHFFFAOYSA-N 1 2 343.402 3.111 20 30 EGEDLO CCCC[C@@H](C)C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001715813760 1420353668 /nfs/dbraw/zinc/35/36/68/1420353668.db2.gz DYKMOEYUVITKDU-OAHLLOKOSA-N 1 2 333.451 3.414 20 30 EGEDLO CCCC[C@@H](C)C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001715813760 1420353670 /nfs/dbraw/zinc/35/36/70/1420353670.db2.gz DYKMOEYUVITKDU-OAHLLOKOSA-N 1 2 333.451 3.414 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc2cc(C)ccc2n1 ZINC001716034210 1420493529 /nfs/dbraw/zinc/49/35/29/1420493529.db2.gz ZFZJJLRYKSPWSW-CQSZACIVSA-N 1 2 331.847 3.346 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc2cc(C)ccc2n1 ZINC001716034210 1420493530 /nfs/dbraw/zinc/49/35/30/1420493530.db2.gz ZFZJJLRYKSPWSW-CQSZACIVSA-N 1 2 331.847 3.346 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1sc(C2CC2)nc1C ZINC001716477763 1420692776 /nfs/dbraw/zinc/69/27/76/1420692776.db2.gz KRAGMRAFQNFONI-JTQLQIEISA-N 1 2 327.881 3.132 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1sc(C2CC2)nc1C ZINC001716477763 1420692778 /nfs/dbraw/zinc/69/27/78/1420692778.db2.gz KRAGMRAFQNFONI-JTQLQIEISA-N 1 2 327.881 3.132 20 30 EGEDLO CCCCc1nc(C[NH+]2CCC(C)(NC(=O)[C@H](C)C#N)CC2)cs1 ZINC001716794248 1420927396 /nfs/dbraw/zinc/92/73/96/1420927396.db2.gz IVOFLBWUGVIDBG-CQSZACIVSA-N 1 2 348.516 3.116 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)C1(CC)CC1 ZINC001717371822 1421311406 /nfs/dbraw/zinc/31/14/06/1421311406.db2.gz XBELPRRPTBIBGG-CYBMUJFWSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)C1(CC)CC1 ZINC001717371822 1421311409 /nfs/dbraw/zinc/31/14/09/1421311409.db2.gz XBELPRRPTBIBGG-CYBMUJFWSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccccc1OCC1CC1 ZINC001717499485 1421442628 /nfs/dbraw/zinc/44/26/28/1421442628.db2.gz KCGUSFAPKAUJHY-AWEZNQCLSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccccc1OCC1CC1 ZINC001717499485 1421442629 /nfs/dbraw/zinc/44/26/29/1421442629.db2.gz KCGUSFAPKAUJHY-AWEZNQCLSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCc2cncc(C)c2)[C@@H]1C ZINC001717854941 1421666948 /nfs/dbraw/zinc/66/69/48/1421666948.db2.gz AJRYIVFZMLSQKL-RDJZCZTQSA-N 1 2 335.879 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCc2cncc(C)c2)[C@@H]1C ZINC001717854941 1421666950 /nfs/dbraw/zinc/66/69/50/1421666950.db2.gz AJRYIVFZMLSQKL-RDJZCZTQSA-N 1 2 335.879 3.044 20 30 EGEDLO C=C(Cl)C[NH2+]C[C@@H](NC(=O)c1cccc2nc[nH]c21)C1CCCC1 ZINC001724103308 1424665959 /nfs/dbraw/zinc/66/59/59/1424665959.db2.gz OLUXGQFYCIWQIU-MRXNPFEDSA-N 1 2 346.862 3.194 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1c(C)coc1C ZINC001724850438 1425211996 /nfs/dbraw/zinc/21/19/96/1425211996.db2.gz CQPHQQFGPNWOTO-UHFFFAOYSA-N 1 2 343.265 3.199 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1c(C)coc1C ZINC001724850438 1425212004 /nfs/dbraw/zinc/21/20/04/1425212004.db2.gz CQPHQQFGPNWOTO-UHFFFAOYSA-N 1 2 343.265 3.199 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)C1(CC)CCC1 ZINC001724855897 1425227504 /nfs/dbraw/zinc/22/75/04/1425227504.db2.gz VKDACAAMZFGGBB-UHFFFAOYSA-N 1 2 331.298 3.256 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)C1(CC)CCC1 ZINC001724855897 1425227510 /nfs/dbraw/zinc/22/75/10/1425227510.db2.gz VKDACAAMZFGGBB-UHFFFAOYSA-N 1 2 331.298 3.256 20 30 EGEDLO C[C@H](C#N)C(=O)NCc1ccc2c(c1)C[N@@H+](Cc1cccc(F)c1)C2 ZINC001733836419 1430110173 /nfs/dbraw/zinc/11/01/73/1430110173.db2.gz SYOMMYQMOUTJKG-CQSZACIVSA-N 1 2 337.398 3.117 20 30 EGEDLO C[C@H](C#N)C(=O)NCc1ccc2c(c1)C[N@H+](Cc1cccc(F)c1)C2 ZINC001733836419 1430110175 /nfs/dbraw/zinc/11/01/75/1430110175.db2.gz SYOMMYQMOUTJKG-CQSZACIVSA-N 1 2 337.398 3.117 20 30 EGEDLO CCCN(C(=O)[C@H](C)C#N)C1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC001752432405 1440178909 /nfs/dbraw/zinc/17/89/09/1440178909.db2.gz STCIECDVAQMXLL-FNWMBBJUSA-N 1 2 332.275 3.168 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1nc(C)oc1C ZINC001752822768 1440221824 /nfs/dbraw/zinc/22/18/24/1440221824.db2.gz ODBJZMZMRKCXTE-APWZRJJASA-N 1 2 333.476 3.364 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCC[N@H+]1Cc1nc(C)oc1C ZINC001752822768 1440221825 /nfs/dbraw/zinc/22/18/25/1440221825.db2.gz ODBJZMZMRKCXTE-APWZRJJASA-N 1 2 333.476 3.364 20 30 EGEDLO C=C(C)CCC(=O)NCC[N@@H+](C)Cc1coc(-c2ccccc2)n1 ZINC001753049990 1440279022 /nfs/dbraw/zinc/27/90/22/1440279022.db2.gz BIOLSCGXQNGOIN-UHFFFAOYSA-N 1 2 327.428 3.246 20 30 EGEDLO C=C(C)CCC(=O)NCC[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC001753049990 1440279023 /nfs/dbraw/zinc/27/90/23/1440279023.db2.gz BIOLSCGXQNGOIN-UHFFFAOYSA-N 1 2 327.428 3.246 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc2ccncc2s1)C1CC1 ZINC001753156383 1440330987 /nfs/dbraw/zinc/33/09/87/1440330987.db2.gz SCUWPCOJABCQHA-UHFFFAOYSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc2ccncc2s1)C1CC1 ZINC001753156383 1440330988 /nfs/dbraw/zinc/33/09/88/1440330988.db2.gz SCUWPCOJABCQHA-UHFFFAOYSA-N 1 2 335.860 3.243 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H]([NH2+]Cc1cnns1)c1ccccc1 ZINC001753299478 1440353589 /nfs/dbraw/zinc/35/35/89/1440353589.db2.gz XOXTYIWZVIUNJA-MRXNPFEDSA-N 1 2 344.484 3.088 20 30 EGEDLO CCC[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1F ZINC001753304549 1440355109 /nfs/dbraw/zinc/35/51/09/1440355109.db2.gz IRWHPNARJANCGO-OLMNPRSZSA-N 1 2 343.446 3.309 20 30 EGEDLO CCC[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1F ZINC001753304549 1440355110 /nfs/dbraw/zinc/35/51/10/1440355110.db2.gz IRWHPNARJANCGO-OLMNPRSZSA-N 1 2 343.446 3.309 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(OCC)n1 ZINC001753307587 1440355711 /nfs/dbraw/zinc/35/57/11/1440355711.db2.gz ZPONKJADJFLKTG-HDICACEKSA-N 1 2 343.471 3.012 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(OCC)n1 ZINC001753307587 1440355712 /nfs/dbraw/zinc/35/57/12/1440355712.db2.gz ZPONKJADJFLKTG-HDICACEKSA-N 1 2 343.471 3.012 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cn3ccccc3n2)C1 ZINC001753322504 1440364331 /nfs/dbraw/zinc/36/43/31/1440364331.db2.gz HKRWXRKXRKBOOM-HNNXBMFYSA-N 1 2 346.862 3.013 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cn3ccccc3n2)C1 ZINC001753322504 1440364332 /nfs/dbraw/zinc/36/43/32/1440364332.db2.gz HKRWXRKXRKBOOM-HNNXBMFYSA-N 1 2 346.862 3.013 20 30 EGEDLO C=CC(C)(C)C(=O)NC1C[NH+](CCCOc2c(C)cccc2C)C1 ZINC001753384706 1440388173 /nfs/dbraw/zinc/38/81/73/1440388173.db2.gz XEACACDOEVSUIJ-UHFFFAOYSA-N 1 2 330.472 3.085 20 30 EGEDLO CCCC[C@@H](C)C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001753401270 1440391020 /nfs/dbraw/zinc/39/10/20/1440391020.db2.gz YJSOFPNSVMFRFG-CQSZACIVSA-N 1 2 331.435 3.072 20 30 EGEDLO C=CCC1(C(=O)NCC2C[NH+](Cc3ccnc(Cl)c3)C2)CCCC1 ZINC001753416134 1440394417 /nfs/dbraw/zinc/39/44/17/1440394417.db2.gz YHMIANPUYFICQK-UHFFFAOYSA-N 1 2 347.890 3.420 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ncoc2C(C)C)C1 ZINC001753441325 1440401827 /nfs/dbraw/zinc/40/18/27/1440401827.db2.gz HFGYRUJRBIJAFA-JKSUJKDBSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001753441325 1440401828 /nfs/dbraw/zinc/40/18/28/1440401828.db2.gz HFGYRUJRBIJAFA-JKSUJKDBSA-N 1 2 333.476 3.433 20 30 EGEDLO CC#CCCCC(=O)N(CC)[C@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001753460296 1440410211 /nfs/dbraw/zinc/41/02/11/1440410211.db2.gz VIGSDUXLVZQKRX-INIZCTEOSA-N 1 2 333.501 3.068 20 30 EGEDLO CC#CCCCC(=O)N(CC)[C@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001753460296 1440410212 /nfs/dbraw/zinc/41/02/12/1440410212.db2.gz VIGSDUXLVZQKRX-INIZCTEOSA-N 1 2 333.501 3.068 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CC[C@@H]2CC(C)(C)CO2)C1 ZINC001753461978 1440411148 /nfs/dbraw/zinc/41/11/48/1440411148.db2.gz PZIQNFVFWLSJLW-HZPDHXFCSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CC[C@@H]2CC(C)(C)CO2)C1 ZINC001753461978 1440411149 /nfs/dbraw/zinc/41/11/49/1440411149.db2.gz PZIQNFVFWLSJLW-HZPDHXFCSA-N 1 2 342.911 3.257 20 30 EGEDLO C#CCCCCCC(=O)N(CC)[C@@H]1CC[N@H+](Cc2csc(C)n2)C1 ZINC001753461872 1440411190 /nfs/dbraw/zinc/41/11/90/1440411190.db2.gz OYWGJCZEQMSCBP-GOSISDBHSA-N 1 2 347.528 3.458 20 30 EGEDLO C#CCCCCCC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2csc(C)n2)C1 ZINC001753461872 1440411191 /nfs/dbraw/zinc/41/11/91/1440411191.db2.gz OYWGJCZEQMSCBP-GOSISDBHSA-N 1 2 347.528 3.458 20 30 EGEDLO C=CCCC(=O)NCc1ccc(C[NH2+][C@H](C)c2ncc(C)o2)cc1 ZINC001753596413 1440444796 /nfs/dbraw/zinc/44/47/96/1440444796.db2.gz FGWDVLSUDIIWML-OAHLLOKOSA-N 1 2 327.428 3.416 20 30 EGEDLO C=CCC1(C(=O)N(C)[C@@H](C)C[NH2+][C@H](C)c2nc(C)no2)CCCC1 ZINC001753730602 1440475716 /nfs/dbraw/zinc/47/57/16/1440475716.db2.gz BBYXIPXOCATMCB-UONOGXRCSA-N 1 2 334.464 3.012 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H](C)C[N@H+](C)CC(=O)Nc1c(C)cccc1C ZINC001754311625 1440573274 /nfs/dbraw/zinc/57/32/74/1440573274.db2.gz QOPFDWMPQVCYCH-KRWDZBQOSA-N 1 2 345.487 3.035 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)Nc1c(C)cccc1C ZINC001754311625 1440573275 /nfs/dbraw/zinc/57/32/75/1440573275.db2.gz QOPFDWMPQVCYCH-KRWDZBQOSA-N 1 2 345.487 3.035 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@H]1CC[N@@H+]1Cc1cc(C)ccc1F ZINC001754500961 1440614130 /nfs/dbraw/zinc/61/41/30/1440614130.db2.gz LNCRMNHYBZKGJY-XLIONFOSSA-N 1 2 348.462 3.053 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@H]1CC[N@H+]1Cc1cc(C)ccc1F ZINC001754500961 1440614131 /nfs/dbraw/zinc/61/41/31/1440614131.db2.gz LNCRMNHYBZKGJY-XLIONFOSSA-N 1 2 348.462 3.053 20 30 EGEDLO C[C@@H](C#N)C(=O)N[C@]1(C)CC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC001754668630 1440657327 /nfs/dbraw/zinc/65/73/27/1440657327.db2.gz PGINFKHUISJQFY-MEDUHNTESA-N 1 2 340.254 3.234 20 30 EGEDLO C[C@@H](C#N)C(=O)N[C@]1(C)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC001754668630 1440657328 /nfs/dbraw/zinc/65/73/28/1440657328.db2.gz PGINFKHUISJQFY-MEDUHNTESA-N 1 2 340.254 3.234 20 30 EGEDLO C=C(Cl)C[N@@H+](C)Cc1ccccc1CNC(=O)Cc1cc(C)on1 ZINC001754946010 1440713207 /nfs/dbraw/zinc/71/32/07/1440713207.db2.gz QUQSRLOIWKIARD-UHFFFAOYSA-N 1 2 347.846 3.026 20 30 EGEDLO C=C(Cl)C[N@H+](C)Cc1ccccc1CNC(=O)Cc1cc(C)on1 ZINC001754946010 1440713208 /nfs/dbraw/zinc/71/32/08/1440713208.db2.gz QUQSRLOIWKIARD-UHFFFAOYSA-N 1 2 347.846 3.026 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@@H+](Cc2nc(C(C)C)no2)CC1 ZINC001755024268 1440727971 /nfs/dbraw/zinc/72/79/71/1440727971.db2.gz ANFIMFGLFCUOTC-HNNXBMFYSA-N 1 2 348.491 3.266 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@H+](Cc2nc(C(C)C)no2)CC1 ZINC001755024268 1440727972 /nfs/dbraw/zinc/72/79/72/1440727972.db2.gz ANFIMFGLFCUOTC-HNNXBMFYSA-N 1 2 348.491 3.266 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1COC2(C[NH+](Cc3cccc(CC)c3)C2)C1 ZINC001755062790 1440744505 /nfs/dbraw/zinc/74/45/05/1440744505.db2.gz CLYOXTDRXSYUMS-IBGZPJMESA-N 1 2 342.483 3.065 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H](CCC)C(C)C ZINC001755075294 1440748283 /nfs/dbraw/zinc/74/82/83/1440748283.db2.gz DFXDBQCPGCLDEW-WOJBJXKFSA-N 1 2 326.484 3.235 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H](CCC)C(C)C ZINC001755075294 1440748284 /nfs/dbraw/zinc/74/82/84/1440748284.db2.gz DFXDBQCPGCLDEW-WOJBJXKFSA-N 1 2 326.484 3.235 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2nc(C3CC3)no2)CC1(C)C ZINC001755137041 1440758602 /nfs/dbraw/zinc/75/86/02/1440758602.db2.gz LJPSTLYGKYYIGC-UKRRQHHQSA-N 1 2 346.475 3.191 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2nc(C3CC3)no2)CC1(C)C ZINC001755137041 1440758603 /nfs/dbraw/zinc/75/86/03/1440758603.db2.gz LJPSTLYGKYYIGC-UKRRQHHQSA-N 1 2 346.475 3.191 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1coc(C2CC2)n1 ZINC001755191215 1440774906 /nfs/dbraw/zinc/77/49/06/1440774906.db2.gz HJDJGXODJCPOFR-SFHVURJKSA-N 1 2 343.471 3.168 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@H]1C[N@H+](C)Cc1coc(C2CC2)n1 ZINC001755191215 1440774907 /nfs/dbraw/zinc/77/49/07/1440774907.db2.gz HJDJGXODJCPOFR-SFHVURJKSA-N 1 2 343.471 3.168 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nc(C)oc1C ZINC001755195691 1440776736 /nfs/dbraw/zinc/77/67/36/1440776736.db2.gz WJAMKKJCCUAELE-MRXNPFEDSA-N 1 2 333.476 3.317 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nc(C)oc1C ZINC001755195691 1440776737 /nfs/dbraw/zinc/77/67/37/1440776737.db2.gz WJAMKKJCCUAELE-MRXNPFEDSA-N 1 2 333.476 3.317 20 30 EGEDLO CC(C(=O)NC[C@H](C)[N@H+](C)Cc1cc(F)ccc1C#N)=C1CCC1 ZINC001755300108 1440808129 /nfs/dbraw/zinc/80/81/29/1440808129.db2.gz ZAYOJSGZFXHSEB-ZDUSSCGKSA-N 1 2 329.419 3.134 20 30 EGEDLO CC(C(=O)NC[C@H](C)[N@@H+](C)Cc1cc(F)ccc1C#N)=C1CCC1 ZINC001755300108 1440808130 /nfs/dbraw/zinc/80/81/30/1440808130.db2.gz ZAYOJSGZFXHSEB-ZDUSSCGKSA-N 1 2 329.419 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1csc(C(C)(C)C)n1 ZINC001755317169 1440816369 /nfs/dbraw/zinc/81/63/69/1440816369.db2.gz BADSXNZCNPSVQT-GFCCVEGCSA-N 1 2 343.924 3.172 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1csc(C(C)(C)C)n1 ZINC001755317169 1440816370 /nfs/dbraw/zinc/81/63/70/1440816370.db2.gz BADSXNZCNPSVQT-GFCCVEGCSA-N 1 2 343.924 3.172 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H](C)C2C[NH+](Cc3cc(F)cc(F)c3)C2)C1 ZINC001755386403 1440840795 /nfs/dbraw/zinc/84/07/95/1440840795.db2.gz PLFNWKRHDKZOIL-CYBMUJFWSA-N 1 2 334.410 3.258 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)n2)CC1(C)C ZINC001755412221 1440846926 /nfs/dbraw/zinc/84/69/26/1440846926.db2.gz MHKJEBRQVLWWKD-OAHLLOKOSA-N 1 2 335.879 3.418 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)n2)CC1(C)C ZINC001755412221 1440846927 /nfs/dbraw/zinc/84/69/27/1440846927.db2.gz MHKJEBRQVLWWKD-OAHLLOKOSA-N 1 2 335.879 3.418 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@H](C)[NH2+][C@@H](C)c2nc(C(C)C)no2)CC1 ZINC001755606086 1440885515 /nfs/dbraw/zinc/88/55/15/1440885515.db2.gz NAPJVQSVOFWJFX-GJZGRUSLSA-N 1 2 348.491 3.437 20 30 EGEDLO CC(C)N(CC[N@H+](C)Cc1cccc(F)c1Cl)C(=O)[C@@H](C)C#N ZINC001755809136 1440919076 /nfs/dbraw/zinc/91/90/76/1440919076.db2.gz KTTLSTZIXLNZGV-ZDUSSCGKSA-N 1 2 339.842 3.308 20 30 EGEDLO CC(C)N(CC[N@@H+](C)Cc1cccc(F)c1Cl)C(=O)[C@@H](C)C#N ZINC001755809136 1440919077 /nfs/dbraw/zinc/91/90/77/1440919077.db2.gz KTTLSTZIXLNZGV-ZDUSSCGKSA-N 1 2 339.842 3.308 20 30 EGEDLO CC#CC[NH2+]C[C@H](NC(=O)c1cc(C)cc(OC)c1C)C(C)(C)C ZINC001755826926 1440927531 /nfs/dbraw/zinc/92/75/31/1440927531.db2.gz AGODKVFUZCBZHI-SFHVURJKSA-N 1 2 330.472 3.069 20 30 EGEDLO C=CCCC(=O)NC1(C2CC[NH+](Cc3nnc(C(C)C)o3)CC2)CC1 ZINC001755867478 1440937993 /nfs/dbraw/zinc/93/79/93/1440937993.db2.gz OBMFLKDVHGOHII-UHFFFAOYSA-N 1 2 346.475 3.020 20 30 EGEDLO O=C(C#CC1CC1)NCC1=CC[N@H+](Cc2cccc(F)c2Cl)CC1 ZINC001755886887 1440940429 /nfs/dbraw/zinc/94/04/29/1440940429.db2.gz WLTWHRXMDXYQPH-UHFFFAOYSA-N 1 2 346.833 3.141 20 30 EGEDLO O=C(C#CC1CC1)NCC1=CC[N@@H+](Cc2cccc(F)c2Cl)CC1 ZINC001755886887 1440940430 /nfs/dbraw/zinc/94/04/30/1440940430.db2.gz WLTWHRXMDXYQPH-UHFFFAOYSA-N 1 2 346.833 3.141 20 30 EGEDLO CC[C@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1nc(C)cs1 ZINC000184377569 529588640 /nfs/dbraw/zinc/58/86/40/529588640.db2.gz KUBORESXOKZNQA-ZDUSSCGKSA-N 1 2 332.429 3.212 20 30 EGEDLO N#Cc1cnc(N2CCc3c([nH+]cn3-c3ccccc3)C2)c(Cl)c1 ZINC000349869458 283234317 /nfs/dbraw/zinc/23/43/17/283234317.db2.gz SBVXDMXLYJHUQA-UHFFFAOYSA-N 1 2 335.798 3.355 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(C(F)(F)F)CC2)c(C#N)c1C ZINC000072801900 216308810 /nfs/dbraw/zinc/30/88/10/216308810.db2.gz CUYXBSGTOOZJSB-JTQLQIEISA-N 1 2 343.349 3.369 20 30 EGEDLO C[C@@H](C#N)Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1 ZINC000009881492 211129895 /nfs/dbraw/zinc/12/98/95/211129895.db2.gz DGUQQBYNFIYABM-ZDUSSCGKSA-N 1 2 345.447 3.396 20 30 EGEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000120131593 152253900 /nfs/dbraw/zinc/25/39/00/152253900.db2.gz DDIOVBYMSVQBQB-UHFFFAOYSA-N 1 2 332.363 3.312 20 30 EGEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188285877 153010155 /nfs/dbraw/zinc/01/01/55/153010155.db2.gz NCPLPYQCWYMRJH-PGRDOPGGSA-N 1 2 349.478 3.188 20 30 EGEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188285877 153010158 /nfs/dbraw/zinc/01/01/58/153010158.db2.gz NCPLPYQCWYMRJH-PGRDOPGGSA-N 1 2 349.478 3.188 20 30 EGEDLO C[C@@H](c1ccc(C#N)cc1)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188285877 153010162 /nfs/dbraw/zinc/01/01/62/153010162.db2.gz NCPLPYQCWYMRJH-PGRDOPGGSA-N 1 2 349.478 3.188 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1F ZINC000192139076 153245101 /nfs/dbraw/zinc/24/51/01/153245101.db2.gz YCJWAPYCRSILFI-OAHLLOKOSA-N 1 2 325.391 3.072 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000192989233 153273188 /nfs/dbraw/zinc/27/31/88/153273188.db2.gz PPTOUBHUHUIUKF-UHFFFAOYSA-N 1 2 335.382 3.425 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000192989233 153273192 /nfs/dbraw/zinc/27/31/92/153273192.db2.gz PPTOUBHUHUIUKF-UHFFFAOYSA-N 1 2 335.382 3.425 20 30 EGEDLO CCc1cccc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000337370191 154313997 /nfs/dbraw/zinc/31/39/97/154313997.db2.gz PEZQVIOBCGWCAC-UHFFFAOYSA-N 1 2 347.462 3.008 20 30 EGEDLO CCOC(=O)C[N@H+](CCc1ccccc1)Cc1cc(C#N)cs1 ZINC000093364173 162006345 /nfs/dbraw/zinc/00/63/45/162006345.db2.gz AOVHXIKFBCGBLX-UHFFFAOYSA-N 1 2 328.437 3.228 20 30 EGEDLO CCOC(=O)C[N@@H+](CCc1ccccc1)Cc1cc(C#N)cs1 ZINC000093364173 162006354 /nfs/dbraw/zinc/00/63/54/162006354.db2.gz AOVHXIKFBCGBLX-UHFFFAOYSA-N 1 2 328.437 3.228 20 30 EGEDLO Cc1cc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)cc[nH+]1 ZINC000112298605 162171250 /nfs/dbraw/zinc/17/12/50/162171250.db2.gz YAHFTHGMTRZXQX-UHFFFAOYSA-N 1 2 326.425 3.313 20 30 EGEDLO CCOCC[N@H+](Cc1ccc(C(=O)OC)o1)Cc1ccc(C#N)s1 ZINC000130753853 162378235 /nfs/dbraw/zinc/37/82/35/162378235.db2.gz LLHLBVFCRNANJM-UHFFFAOYSA-N 1 2 348.424 3.038 20 30 EGEDLO CCOCC[N@@H+](Cc1ccc(C(=O)OC)o1)Cc1ccc(C#N)s1 ZINC000130753853 162378236 /nfs/dbraw/zinc/37/82/36/162378236.db2.gz LLHLBVFCRNANJM-UHFFFAOYSA-N 1 2 348.424 3.038 20 30 EGEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nccn1-c1ccccc1 ZINC000344096570 164102283 /nfs/dbraw/zinc/10/22/83/164102283.db2.gz BVBDSDIAOAXBQC-UHFFFAOYSA-N 1 2 346.434 3.393 20 30 EGEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nccn1-c1ccccc1 ZINC000344096570 164102284 /nfs/dbraw/zinc/10/22/84/164102284.db2.gz BVBDSDIAOAXBQC-UHFFFAOYSA-N 1 2 346.434 3.393 20 30 EGEDLO Cc1c(C#N)cccc1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000350216870 165019558 /nfs/dbraw/zinc/01/95/58/165019558.db2.gz AHJSOCHFXZTYHH-UHFFFAOYSA-N 1 2 345.406 3.433 20 30 EGEDLO Cc1nsc(N2CC[NH+](Cc3ccc(F)cc3C)CC2)c1C#N ZINC000352187990 165275845 /nfs/dbraw/zinc/27/58/45/165275845.db2.gz DQKIMZHHTVAUBK-UHFFFAOYSA-N 1 2 330.432 3.093 20 30 EGEDLO COC(=O)C[C@](C)([NH2+]Cc1ccccc1C#N)c1cccc(OC)c1 ZINC000352403303 165383841 /nfs/dbraw/zinc/38/38/41/165383841.db2.gz UIMPXELSGJJNMD-FQEVSTJZSA-N 1 2 338.407 3.135 20 30 EGEDLO N#Cc1ccc(C[NH2+][C@H](CO)c2cccc(F)c2)c(Br)c1 ZINC000359519904 167177256 /nfs/dbraw/zinc/17/72/56/167177256.db2.gz ISSHFVLYEINHFB-MRXNPFEDSA-N 1 2 349.203 3.283 20 30 EGEDLO C[C@@H](NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccc(C#N)cc1 ZINC000360483063 167338945 /nfs/dbraw/zinc/33/89/45/167338945.db2.gz OLXQDVQGKRTQBC-OAHLLOKOSA-N 1 2 345.406 3.304 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)nc3Cl)C2)nc1 ZINC000366430291 168120118 /nfs/dbraw/zinc/12/01/18/168120118.db2.gz GIUOKICYHHNJNY-CYBMUJFWSA-N 1 2 349.221 3.308 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)nc3Cl)C2)nc1 ZINC000366430291 168120121 /nfs/dbraw/zinc/12/01/21/168120121.db2.gz GIUOKICYHHNJNY-CYBMUJFWSA-N 1 2 349.221 3.308 20 30 EGEDLO N#Cc1nc(NCc2cccc(-n3cc[nH+]c3)c2)ccc1C(F)(F)F ZINC000443521710 269947111 /nfs/dbraw/zinc/94/71/11/269947111.db2.gz KBFBVVZKFGZUGJ-UHFFFAOYSA-N 1 2 343.312 3.192 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411986128 270046883 /nfs/dbraw/zinc/04/68/83/270046883.db2.gz OFOCOPWOMPYIIF-FQEVSTJZSA-N 1 2 336.366 3.307 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411986128 270046884 /nfs/dbraw/zinc/04/68/84/270046884.db2.gz OFOCOPWOMPYIIF-FQEVSTJZSA-N 1 2 336.366 3.307 20 30 EGEDLO Cc1cccc(Cl)c1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000450481244 270052990 /nfs/dbraw/zinc/05/29/90/270052990.db2.gz DAFDZEGFRPCQLU-AWEZNQCLSA-N 1 2 341.846 3.021 20 30 EGEDLO Cc1cccc(Cl)c1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000450481244 270052991 /nfs/dbraw/zinc/05/29/91/270052991.db2.gz DAFDZEGFRPCQLU-AWEZNQCLSA-N 1 2 341.846 3.021 20 30 EGEDLO CCC1(CC)C[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)CCS1 ZINC000464580778 270055045 /nfs/dbraw/zinc/05/50/45/270055045.db2.gz BLKFYTTZAKWBNF-MRXNPFEDSA-N 1 2 332.469 3.380 20 30 EGEDLO CCC1(CC)C[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)CCS1 ZINC000464580778 270055047 /nfs/dbraw/zinc/05/50/47/270055047.db2.gz BLKFYTTZAKWBNF-MRXNPFEDSA-N 1 2 332.469 3.380 20 30 EGEDLO CCC1(CC)C[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)CCS1 ZINC000330920832 266011165 /nfs/dbraw/zinc/01/11/65/266011165.db2.gz POUQSQKPSOAJEW-UHFFFAOYSA-N 1 2 335.473 3.314 20 30 EGEDLO CCC1(CC)C[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)CCS1 ZINC000330920832 266011169 /nfs/dbraw/zinc/01/11/69/266011169.db2.gz POUQSQKPSOAJEW-UHFFFAOYSA-N 1 2 335.473 3.314 20 30 EGEDLO CCCCCOC1C[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000459589604 267002562 /nfs/dbraw/zinc/00/25/62/267002562.db2.gz HVUDFLOJVGMKMG-UHFFFAOYSA-N 1 2 338.455 3.350 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000273255714 267006243 /nfs/dbraw/zinc/00/62/43/267006243.db2.gz DTIGLHOTTAEWMR-AWEZNQCLSA-N 1 2 325.437 3.139 20 30 EGEDLO CCOC(=O)C1([N@H+](C)Cc2ccc(C#N)cc2OC)CCCCC1 ZINC000501217783 267113367 /nfs/dbraw/zinc/11/33/67/267113367.db2.gz MESRAXCXMMGNRR-UHFFFAOYSA-N 1 2 330.428 3.265 20 30 EGEDLO CCOC(=O)C1([N@@H+](C)Cc2ccc(C#N)cc2OC)CCCCC1 ZINC000501217783 267113369 /nfs/dbraw/zinc/11/33/69/267113369.db2.gz MESRAXCXMMGNRR-UHFFFAOYSA-N 1 2 330.428 3.265 20 30 EGEDLO CC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nnc2n1CCCCC2 ZINC000421331219 267221354 /nfs/dbraw/zinc/22/13/54/267221354.db2.gz ZQVODHONWHWINY-INIZCTEOSA-N 1 2 327.407 3.256 20 30 EGEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425588891 267256582 /nfs/dbraw/zinc/25/65/82/267256582.db2.gz PAACCUDDPDSREH-ZIAGYGMSSA-N 1 2 325.416 3.238 20 30 EGEDLO C[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc(F)c(Cl)c1 ZINC000433235409 267297038 /nfs/dbraw/zinc/29/70/38/267297038.db2.gz NLMSOECMDSIVFR-UHFFFAOYSA-N 1 2 345.805 3.099 20 30 EGEDLO C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc(F)c(Cl)c1 ZINC000433235409 267297041 /nfs/dbraw/zinc/29/70/41/267297041.db2.gz NLMSOECMDSIVFR-UHFFFAOYSA-N 1 2 345.805 3.099 20 30 EGEDLO Cc1cc2[nH+]cn(C[C@H](O)COc3ccc(C#N)cc3F)c2cc1C ZINC000270160214 267367124 /nfs/dbraw/zinc/36/71/24/267367124.db2.gz TWQIYGCDRNBIOJ-HNNXBMFYSA-N 1 2 339.370 3.104 20 30 EGEDLO Cc1cc2[nH+]cn(C[C@@H](O)COc3ccc(C#N)cc3F)c2cc1C ZINC000270160217 267367478 /nfs/dbraw/zinc/36/74/78/267367478.db2.gz TWQIYGCDRNBIOJ-OAHLLOKOSA-N 1 2 339.370 3.104 20 30 EGEDLO Cc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)nc1 ZINC000444784107 268036584 /nfs/dbraw/zinc/03/65/84/268036584.db2.gz NBNFYGHLGHEKPC-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000278562239 268040589 /nfs/dbraw/zinc/04/05/89/268040589.db2.gz AHZFMLNJJDQEES-CYBMUJFWSA-N 1 2 343.427 3.278 20 30 EGEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ccc(C#N)cc2F)cc1 ZINC000486451707 268046327 /nfs/dbraw/zinc/04/63/27/268046327.db2.gz ORHJTCNETWHNIX-FQEVSTJZSA-N 1 2 339.414 3.491 20 30 EGEDLO N#Cc1ccc(CC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)cc1 ZINC000194862491 268057310 /nfs/dbraw/zinc/05/73/10/268057310.db2.gz KUHIIQLPWONAGQ-UHFFFAOYSA-N 1 2 348.450 3.193 20 30 EGEDLO Cc1nsc(N2CC[NH+]([C@H]3C[C@H]3c3cccc(F)c3)CC2)c1C#N ZINC000411754163 268102425 /nfs/dbraw/zinc/10/24/25/268102425.db2.gz XJZLDCMIHIJMOC-RDJZCZTQSA-N 1 2 342.443 3.140 20 30 EGEDLO Cc1oc2nc(C[N@@H+](C)[C@H](C)c3cccc(C#N)c3)nc(N)c2c1C ZINC000425538835 268105996 /nfs/dbraw/zinc/10/59/96/268105996.db2.gz SOOCDYKKGMRNHC-GFCCVEGCSA-N 1 2 335.411 3.487 20 30 EGEDLO Cc1oc2nc(C[N@H+](C)[C@H](C)c3cccc(C#N)c3)nc(N)c2c1C ZINC000425538835 268105997 /nfs/dbraw/zinc/10/59/97/268105997.db2.gz SOOCDYKKGMRNHC-GFCCVEGCSA-N 1 2 335.411 3.487 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000301597449 268118354 /nfs/dbraw/zinc/11/83/54/268118354.db2.gz STKJRDFSQFSHBN-UHFFFAOYSA-N 1 2 346.356 3.294 20 30 EGEDLO N#Cc1ccc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)[nH]1 ZINC000444545115 268205464 /nfs/dbraw/zinc/20/54/64/268205464.db2.gz KXPCJNOUTKWCAH-UHFFFAOYSA-N 1 2 331.379 3.338 20 30 EGEDLO N#Cc1ccnc(N2CC[NH+](Cc3cccc(Cl)c3F)CC2)c1 ZINC000271034353 268294152 /nfs/dbraw/zinc/29/41/52/268294152.db2.gz ILGZSRFCHINETE-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO CCCC[C@@H](CC)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000490651339 269647754 /nfs/dbraw/zinc/64/77/54/269647754.db2.gz SQEDCOXYYQFSFP-LJQANCHMSA-N 1 2 327.472 3.419 20 30 EGEDLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000181381511 276693366 /nfs/dbraw/zinc/69/33/66/276693366.db2.gz NNZOYWYMKBPIBP-UHFFFAOYSA-N 1 2 347.422 3.276 20 30 EGEDLO CCC(CC)[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000535589238 314054960 /nfs/dbraw/zinc/05/49/60/314054960.db2.gz FPKFJDXDVXCJSP-INIZCTEOSA-N 1 2 327.472 3.275 20 30 EGEDLO COc1ccc(C2([NH2+]Cc3nnc(-c4cccc(C#N)c4)o3)CC2)cc1 ZINC000539260260 314304220 /nfs/dbraw/zinc/30/42/20/314304220.db2.gz TWUJYSWBAFXIGY-UHFFFAOYSA-N 1 2 346.390 3.396 20 30 EGEDLO N#Cc1cccc(CNC(=O)CCn2c3ccccc3[nH+]c2C2CC2)c1 ZINC000539847661 314345664 /nfs/dbraw/zinc/34/56/64/314345664.db2.gz PYGDOQNHFIKQIK-UHFFFAOYSA-N 1 2 344.418 3.492 20 30 EGEDLO COC(=O)c1cccc(C[NH2+][C@H](C)c2c(F)cccc2F)c1C#N ZINC000540327655 314374681 /nfs/dbraw/zinc/37/46/81/314374681.db2.gz QFXGZHKLRHUANG-LLVKDONJSA-N 1 2 330.334 3.474 20 30 EGEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2ccc(Cl)c(C#N)c2)CC1(C)C ZINC000567191489 316580587 /nfs/dbraw/zinc/58/05/87/316580587.db2.gz JJIRTICJCJKVQT-CQSZACIVSA-N 1 2 328.803 3.168 20 30 EGEDLO CCc1[nH+]c2ccccc2n1C1CCN(c2ccnc(C#N)n2)CC1 ZINC000568531502 316788445 /nfs/dbraw/zinc/78/84/45/316788445.db2.gz FRLNIFMMQHTXGG-UHFFFAOYSA-N 1 2 332.411 3.102 20 30 EGEDLO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)n1cc[nH+]c1 ZINC000569698749 316951251 /nfs/dbraw/zinc/95/12/51/316951251.db2.gz VJDWMVQXEHYEJF-JTQLQIEISA-N 1 2 338.289 3.243 20 30 EGEDLO Cn1c2ccc(CNC(=O)c3ccc(F)c(C#N)c3)cc2[nH+]c1C1CC1 ZINC000570201065 317021742 /nfs/dbraw/zinc/02/17/42/317021742.db2.gz HXXUSYDNNXGOCV-UHFFFAOYSA-N 1 2 348.381 3.391 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Nc1scc(C)c1C#N)CCC2 ZINC000571654309 317229219 /nfs/dbraw/zinc/22/92/19/317229219.db2.gz OILNCLOHSNCILX-LBPRGKRZSA-N 1 2 329.429 3.132 20 30 EGEDLO Cc1cc(N2CCC(n3cc(Br)cn3)CC2)c(C#N)c[nH+]1 ZINC000574271274 317579956 /nfs/dbraw/zinc/57/99/56/317579956.db2.gz NEKPRKSROOYZBU-UHFFFAOYSA-N 1 2 346.232 3.062 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(F)cc3Cl)CC2)nc1 ZINC000574980960 317658865 /nfs/dbraw/zinc/65/88/65/317658865.db2.gz QNHCUTOZEGIROE-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000023666917 323213593 /nfs/dbraw/zinc/21/35/93/323213593.db2.gz LNNJOMJENFROOA-GFCCVEGCSA-N 1 2 329.350 3.468 20 30 EGEDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000023666917 323213595 /nfs/dbraw/zinc/21/35/95/323213595.db2.gz LNNJOMJENFROOA-GFCCVEGCSA-N 1 2 329.350 3.468 20 30 EGEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(=Cc3cccc(F)c3)CC2)cc1 ZINC000579422849 325106057 /nfs/dbraw/zinc/10/60/57/325106057.db2.gz BJCLZHQTJQEGRD-HXUWFJFHSA-N 1 2 349.409 3.403 20 30 EGEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000556057009 458925231 /nfs/dbraw/zinc/92/52/31/458925231.db2.gz WHNKGERUEITPEQ-SNVBAGLBSA-N 1 2 326.278 3.147 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000007017804 453018991 /nfs/dbraw/zinc/01/89/91/453018991.db2.gz RGPUOEJMMJEGFI-MRXNPFEDSA-N 1 2 342.270 3.480 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000007017804 453018997 /nfs/dbraw/zinc/01/89/97/453018997.db2.gz RGPUOEJMMJEGFI-MRXNPFEDSA-N 1 2 342.270 3.480 20 30 EGEDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(C#N)cc1F ZINC000011185073 453312899 /nfs/dbraw/zinc/31/28/99/453312899.db2.gz JWRISCUCQJNUIU-UHFFFAOYSA-N 1 2 347.340 3.436 20 30 EGEDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(C#N)cc1F ZINC000011185073 453312908 /nfs/dbraw/zinc/31/29/08/453312908.db2.gz JWRISCUCQJNUIU-UHFFFAOYSA-N 1 2 347.340 3.436 20 30 EGEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000026324941 453796513 /nfs/dbraw/zinc/79/65/13/453796513.db2.gz SIIRXQSZNRYJJI-UHFFFAOYSA-N 1 2 338.798 3.080 20 30 EGEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000026324941 453796514 /nfs/dbraw/zinc/79/65/14/453796514.db2.gz SIIRXQSZNRYJJI-UHFFFAOYSA-N 1 2 338.798 3.080 20 30 EGEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccco2)cc1C ZINC000028965633 453825625 /nfs/dbraw/zinc/82/56/25/453825625.db2.gz FZYVVZFPKIHAGX-UHFFFAOYSA-N 1 2 325.412 3.275 20 30 EGEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccco2)cc1C ZINC000028965633 453825626 /nfs/dbraw/zinc/82/56/26/453825626.db2.gz FZYVVZFPKIHAGX-UHFFFAOYSA-N 1 2 325.412 3.275 20 30 EGEDLO CC(C)(C)C(=O)N1CCC(C[N@H+](CCC#N)Cc2ccccn2)CC1 ZINC000181733851 455377245 /nfs/dbraw/zinc/37/72/45/455377245.db2.gz SQMNNRRNLDJBMA-UHFFFAOYSA-N 1 2 342.487 3.082 20 30 EGEDLO CC(C)(C)C(=O)N1CCC(C[N@@H+](CCC#N)Cc2ccccn2)CC1 ZINC000181733851 455377247 /nfs/dbraw/zinc/37/72/47/455377247.db2.gz SQMNNRRNLDJBMA-UHFFFAOYSA-N 1 2 342.487 3.082 20 30 EGEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1cccc(Cl)c1 ZINC000081512301 453879812 /nfs/dbraw/zinc/87/98/12/453879812.db2.gz MGSPNZNDTWBPEI-UHFFFAOYSA-N 1 2 348.855 3.117 20 30 EGEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1cccc(Cl)c1 ZINC000081512301 453879816 /nfs/dbraw/zinc/87/98/16/453879816.db2.gz MGSPNZNDTWBPEI-UHFFFAOYSA-N 1 2 348.855 3.117 20 30 EGEDLO Cc1ccc([C@@H](C)[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000081512580 453880182 /nfs/dbraw/zinc/88/01/82/453880182.db2.gz PDTYUPFWYZCGCW-MRXNPFEDSA-N 1 2 342.464 3.333 20 30 EGEDLO Cc1ccc([C@@H](C)[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000081512580 453880185 /nfs/dbraw/zinc/88/01/85/453880185.db2.gz PDTYUPFWYZCGCW-MRXNPFEDSA-N 1 2 342.464 3.333 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(OC)cc1 ZINC000054271999 453919746 /nfs/dbraw/zinc/91/97/46/453919746.db2.gz ICTBQDSPUOQBPZ-UHFFFAOYSA-N 1 2 335.407 3.194 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(OC)cc1 ZINC000054271999 453919747 /nfs/dbraw/zinc/91/97/47/453919747.db2.gz ICTBQDSPUOQBPZ-UHFFFAOYSA-N 1 2 335.407 3.194 20 30 EGEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1 ZINC000076153348 453972666 /nfs/dbraw/zinc/97/26/66/453972666.db2.gz HLAJMORVEKDPIT-KVPLUYHFSA-N 1 2 339.483 3.263 20 30 EGEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1 ZINC000076153348 453972669 /nfs/dbraw/zinc/97/26/69/453972669.db2.gz HLAJMORVEKDPIT-KVPLUYHFSA-N 1 2 339.483 3.263 20 30 EGEDLO N#Cc1cccc(/C=C\C(=O)Nc2ccccc2C[NH+]2CCOCC2)c1 ZINC000055816837 454016199 /nfs/dbraw/zinc/01/61/99/454016199.db2.gz PNLNABHFVPIPGN-HJWRWDBZSA-N 1 2 347.418 3.042 20 30 EGEDLO CCC[N@H+](Cc1nc([C@@H](C)OCC)no1)Cc1ccc(C#N)cc1 ZINC000076720086 454029752 /nfs/dbraw/zinc/02/97/52/454029752.db2.gz YUKMQQXKTLNAQT-CQSZACIVSA-N 1 2 328.416 3.451 20 30 EGEDLO CCC[N@@H+](Cc1nc([C@@H](C)OCC)no1)Cc1ccc(C#N)cc1 ZINC000076720086 454029754 /nfs/dbraw/zinc/02/97/54/454029754.db2.gz YUKMQQXKTLNAQT-CQSZACIVSA-N 1 2 328.416 3.451 20 30 EGEDLO CCc1ccccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000043403002 454060250 /nfs/dbraw/zinc/06/02/50/454060250.db2.gz AJYJROLZOSQTOI-UHFFFAOYSA-N 1 2 348.450 3.470 20 30 EGEDLO N#Cc1ccnc(N2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000043533058 454066579 /nfs/dbraw/zinc/06/65/79/454066579.db2.gz DTKQCFFTRWBDAG-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO C=CCN(Cc1ccccc1F)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000056797967 454080562 /nfs/dbraw/zinc/08/05/62/454080562.db2.gz ACMOAYRBYZDKCY-UHFFFAOYSA-N 1 2 338.386 3.371 20 30 EGEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000245912090 455397455 /nfs/dbraw/zinc/39/74/55/455397455.db2.gz VTAYAGDJUZSYSL-KFWWJZLASA-N 1 2 327.428 3.480 20 30 EGEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000245912090 455397457 /nfs/dbraw/zinc/39/74/57/455397457.db2.gz VTAYAGDJUZSYSL-KFWWJZLASA-N 1 2 327.428 3.480 20 30 EGEDLO CCOc1ccc(C#N)cc1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000069566980 454119340 /nfs/dbraw/zinc/11/93/40/454119340.db2.gz OHYROMJLMWHNCD-UHFFFAOYSA-N 1 2 334.379 3.094 20 30 EGEDLO N#Cc1ccc(Nc2ccc([NH+]3CCC(O)CC3)cc2)c([N+](=O)[O-])c1 ZINC000057929469 454157351 /nfs/dbraw/zinc/15/73/51/454157351.db2.gz CFSMETJPNAXODG-UHFFFAOYSA-N 1 2 338.367 3.171 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1c(C)n[nH]c1C)Cc1ccc(Cl)s1 ZINC000046171419 454224857 /nfs/dbraw/zinc/22/48/57/454224857.db2.gz VOAUAGIWYDRMBP-UHFFFAOYSA-N 1 2 338.864 3.368 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1c(C)n[nH]c1C)Cc1ccc(Cl)s1 ZINC000046171419 454224863 /nfs/dbraw/zinc/22/48/63/454224863.db2.gz VOAUAGIWYDRMBP-UHFFFAOYSA-N 1 2 338.864 3.368 20 30 EGEDLO COCCN(CCC#N)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000078588175 454281514 /nfs/dbraw/zinc/28/15/14/454281514.db2.gz ZVSVNLZVFDWNDR-UHFFFAOYSA-N 1 2 340.383 3.268 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCCc3ccccc3)CC2)cc1 ZINC000046874031 454295616 /nfs/dbraw/zinc/29/56/16/454295616.db2.gz ROYREXAQCCBLET-UHFFFAOYSA-N 1 2 347.462 3.225 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000078678096 454298325 /nfs/dbraw/zinc/29/83/25/454298325.db2.gz KMPRKCIEYHQXFW-KRWDZBQOSA-N 1 2 340.471 3.117 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000078678096 454298330 /nfs/dbraw/zinc/29/83/30/454298330.db2.gz KMPRKCIEYHQXFW-KRWDZBQOSA-N 1 2 340.471 3.117 20 30 EGEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccc(N2CCOCC2)cc1 ZINC000096297566 454317032 /nfs/dbraw/zinc/31/70/32/454317032.db2.gz WHKYXOIFCOSQNU-HJWRWDBZSA-N 1 2 333.391 3.067 20 30 EGEDLO CC(C)CO[C@H](C)C(N)=[NH+]O[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000072921325 454363376 /nfs/dbraw/zinc/36/33/76/454363376.db2.gz RILBCDQPLPTTGL-KGLIPLIRSA-N 1 2 346.431 3.071 20 30 EGEDLO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccccc1)Cc1cccc(C#N)c1 ZINC000063300675 454402962 /nfs/dbraw/zinc/40/29/62/454402962.db2.gz QIQGNUSYXLHDMM-QGZVFWFLSA-N 1 2 333.435 3.424 20 30 EGEDLO C=CC[N@H+](CC(=O)N[C@H](C)c1ccccc1)Cc1cccc(C#N)c1 ZINC000063300675 454402968 /nfs/dbraw/zinc/40/29/68/454402968.db2.gz QIQGNUSYXLHDMM-QGZVFWFLSA-N 1 2 333.435 3.424 20 30 EGEDLO COc1ccc(Cl)cc1CO[NH+]=C(N)Cc1csc(C)n1 ZINC000063456852 454414588 /nfs/dbraw/zinc/41/45/88/454414588.db2.gz PMXVDCIWFBDFGR-UHFFFAOYSA-N 1 2 325.821 3.145 20 30 EGEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3ccccc3)c2)n1 ZINC000063510253 454420047 /nfs/dbraw/zinc/42/00/47/454420047.db2.gz GOKIOYUETMUTHQ-UHFFFAOYSA-N 1 2 334.423 3.385 20 30 EGEDLO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1cccc(F)c1 ZINC000122062875 454506266 /nfs/dbraw/zinc/50/62/66/454506266.db2.gz QVUKHXSXDOGMSN-UHFFFAOYSA-N 1 2 325.387 3.204 20 30 EGEDLO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1cccc(F)c1 ZINC000122062875 454506273 /nfs/dbraw/zinc/50/62/73/454506273.db2.gz QVUKHXSXDOGMSN-UHFFFAOYSA-N 1 2 325.387 3.204 20 30 EGEDLO C=CC[N@@H+](CCOC)CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000191132773 455450014 /nfs/dbraw/zinc/45/00/14/455450014.db2.gz HSMSRFCPHPZPPD-HNNXBMFYSA-N 1 2 334.485 3.038 20 30 EGEDLO C=CC[N@H+](CCOC)CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000191132773 455450017 /nfs/dbraw/zinc/45/00/17/455450017.db2.gz HSMSRFCPHPZPPD-HNNXBMFYSA-N 1 2 334.485 3.038 20 30 EGEDLO N#CCCC[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000074057706 454526927 /nfs/dbraw/zinc/52/69/27/454526927.db2.gz ASUHDCLTZFHWGA-UHFFFAOYSA-N 1 2 326.227 3.055 20 30 EGEDLO Cc1cccc2[nH+]c(CN3CCN([C@H](C#N)c4ccccc4)CC3)cn21 ZINC000176154128 454705546 /nfs/dbraw/zinc/70/55/46/454705546.db2.gz XBUQVNIJZWZWNK-HXUWFJFHSA-N 1 2 345.450 3.025 20 30 EGEDLO CCOc1ccc(N(CCC#N)C(=O)/C=C/c2[nH+]ccn2CC)cc1 ZINC000136910554 454761331 /nfs/dbraw/zinc/76/13/31/454761331.db2.gz BDRAJFKDBYKGIF-ZHACJKMWSA-N 1 2 338.411 3.262 20 30 EGEDLO CC[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@H](C)C#N ZINC000162239082 454761891 /nfs/dbraw/zinc/76/18/91/454761891.db2.gz JWYRHBOLSJKSME-JTQLQIEISA-N 1 2 326.194 3.339 20 30 EGEDLO CC[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@H](C)C#N ZINC000162239082 454761894 /nfs/dbraw/zinc/76/18/94/454761894.db2.gz JWYRHBOLSJKSME-JTQLQIEISA-N 1 2 326.194 3.339 20 30 EGEDLO CCS[C@H](C)c1noc(CO[NH+]=C(N)c2ccc(F)c(C)c2)n1 ZINC000153363819 454785947 /nfs/dbraw/zinc/78/59/47/454785947.db2.gz YJGHDAJLGZVJOK-SNVBAGLBSA-N 1 2 338.408 3.168 20 30 EGEDLO CCOc1ccccc1NC(=O)CC[N@H+](CCC#N)Cc1ccco1 ZINC000137828978 454786131 /nfs/dbraw/zinc/78/61/31/454786131.db2.gz NVUKPMOSUAOSCH-UHFFFAOYSA-N 1 2 341.411 3.423 20 30 EGEDLO CCOc1ccccc1NC(=O)CC[N@@H+](CCC#N)Cc1ccco1 ZINC000137828978 454786136 /nfs/dbraw/zinc/78/61/36/454786136.db2.gz NVUKPMOSUAOSCH-UHFFFAOYSA-N 1 2 341.411 3.423 20 30 EGEDLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)cs1 ZINC000111376581 454862590 /nfs/dbraw/zinc/86/25/90/454862590.db2.gz IDEHRPLHJDBGIE-CHWSQXEVSA-N 1 2 334.489 3.087 20 30 EGEDLO C=CC1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)CC1 ZINC000111465145 454866231 /nfs/dbraw/zinc/86/62/31/454866231.db2.gz SUOFGUDIRBIHAE-UHFFFAOYSA-N 1 2 342.487 3.426 20 30 EGEDLO C=CCOc1ccccc1CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000111886167 454877816 /nfs/dbraw/zinc/87/78/16/454877816.db2.gz HQCBISLUSUZASF-INIZCTEOSA-N 1 2 340.427 3.411 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000126306507 454883843 /nfs/dbraw/zinc/88/38/43/454883843.db2.gz FRANIOLUURODRA-HKUYNNGSSA-N 1 2 330.472 3.181 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000126306507 454883847 /nfs/dbraw/zinc/88/38/47/454883847.db2.gz FRANIOLUURODRA-HKUYNNGSSA-N 1 2 330.472 3.181 20 30 EGEDLO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(C#N)c1)c1c(F)cccc1F ZINC000166675586 454914287 /nfs/dbraw/zinc/91/42/87/454914287.db2.gz KLQKRLXTESGYSA-INIZCTEOSA-N 1 2 346.337 3.459 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000185067573 455494842 /nfs/dbraw/zinc/49/48/42/455494842.db2.gz QUIWTMCXLAKFGL-OAHLLOKOSA-N 1 2 330.476 3.159 20 30 EGEDLO N#Cc1ccc(F)c(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)c1 ZINC000116306480 455051900 /nfs/dbraw/zinc/05/19/00/455051900.db2.gz HFKCAICIATYQAM-UHFFFAOYSA-N 1 2 344.821 3.064 20 30 EGEDLO C=CC[C@H](C)NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000116987508 455077019 /nfs/dbraw/zinc/07/70/19/455077019.db2.gz HGKNHFDYGAFFPM-AWEZNQCLSA-N 1 2 339.439 3.238 20 30 EGEDLO C#CC[N@@H+](Cc1nc2ccccc2c(=O)n1C)[C@H]1CCc2ccccc21 ZINC000171626998 455081484 /nfs/dbraw/zinc/08/14/84/455081484.db2.gz ZMQPFNYAYVDPNH-FQEVSTJZSA-N 1 2 343.430 3.056 20 30 EGEDLO C#CC[N@H+](Cc1nc2ccccc2c(=O)n1C)[C@H]1CCc2ccccc21 ZINC000171626998 455081487 /nfs/dbraw/zinc/08/14/87/455081487.db2.gz ZMQPFNYAYVDPNH-FQEVSTJZSA-N 1 2 343.430 3.056 20 30 EGEDLO CCOC(=O)CCc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1 ZINC000152590678 455139598 /nfs/dbraw/zinc/13/95/98/455139598.db2.gz GCRMNTWAPJAYCK-UHFFFAOYSA-N 1 2 348.406 3.314 20 30 EGEDLO N#CCNC(=O)C[NH+]1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000157650117 455217699 /nfs/dbraw/zinc/21/76/99/455217699.db2.gz UFHSVQDTGAWHLJ-UHFFFAOYSA-N 1 2 338.238 3.112 20 30 EGEDLO C[C@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)c1ncc(C(C)(C)C)o1 ZINC000158194265 455279409 /nfs/dbraw/zinc/27/94/09/455279409.db2.gz UHTPDRMFZGRRRN-NSHDSACASA-N 1 2 329.400 3.305 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]Cc1c(Br)cc(OC)cc1OC ZINC000184094747 455352407 /nfs/dbraw/zinc/35/24/07/455352407.db2.gz CQXSLLZPJAUMLJ-JTQLQIEISA-N 1 2 327.222 3.248 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000184463708 455384922 /nfs/dbraw/zinc/38/49/22/455384922.db2.gz OBISTOHBPCCGHA-PXAZEXFGSA-N 1 2 336.505 3.146 20 30 EGEDLO C=CCOc1ccc(-c2nnc(SCCn3cc[nH+]c3)o2)cc1 ZINC000160196879 455437735 /nfs/dbraw/zinc/43/77/35/455437735.db2.gz OCQANVLLKYIIJJ-UHFFFAOYSA-N 1 2 328.397 3.290 20 30 EGEDLO COC[C@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)c1ccc(C)o1 ZINC000184755531 455442688 /nfs/dbraw/zinc/44/26/88/455442688.db2.gz XHIBUDNUERNYFJ-AWEZNQCLSA-N 1 2 347.440 3.054 20 30 EGEDLO C=CCCCCCN(C)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266829855 455459334 /nfs/dbraw/zinc/45/93/34/455459334.db2.gz HWDKXXYPYRZQDV-UHFFFAOYSA-N 1 2 330.472 3.337 20 30 EGEDLO C=C(C)[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)c(F)c1 ZINC000184844779 455459416 /nfs/dbraw/zinc/45/94/16/455459416.db2.gz HGKQBRAAZRWBQP-CXAGYDPISA-N 1 2 331.366 3.157 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000192244621 455581169 /nfs/dbraw/zinc/58/11/69/455581169.db2.gz GWUGRZLOLFLCRV-CQSZACIVSA-N 1 2 345.874 3.429 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000192244621 455581172 /nfs/dbraw/zinc/58/11/72/455581172.db2.gz GWUGRZLOLFLCRV-CQSZACIVSA-N 1 2 345.874 3.429 20 30 EGEDLO C=CCN(C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000271505280 455663873 /nfs/dbraw/zinc/66/38/73/455663873.db2.gz JORPRZFKNJLEKI-HZPDHXFCSA-N 1 2 343.471 3.478 20 30 EGEDLO N#Cc1ccc(N2CCC[C@H]([N@H+](Cc3ccccn3)C3CC3)C2=O)cc1 ZINC000192719642 455676844 /nfs/dbraw/zinc/67/68/44/455676844.db2.gz VVWYFXNRUJOTPI-FQEVSTJZSA-N 1 2 346.434 3.113 20 30 EGEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+](Cc3ccccn3)C3CC3)C2=O)cc1 ZINC000192719642 455676849 /nfs/dbraw/zinc/67/68/49/455676849.db2.gz VVWYFXNRUJOTPI-FQEVSTJZSA-N 1 2 346.434 3.113 20 30 EGEDLO C=CCn1c(SCc2[nH+]ccn2C)nc2cc(Cl)ccc2c1=O ZINC000248099171 455680503 /nfs/dbraw/zinc/68/05/03/455680503.db2.gz DJSLDHYBKOFGIV-UHFFFAOYSA-N 1 2 346.843 3.262 20 30 EGEDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000277886680 455697445 /nfs/dbraw/zinc/69/74/45/455697445.db2.gz VTKMTARDOWVENY-AWEZNQCLSA-N 1 2 326.831 3.490 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)[nH]1 ZINC000268502144 455699584 /nfs/dbraw/zinc/69/95/84/455699584.db2.gz SNXRFMIUSTZATJ-OAHLLOKOSA-N 1 2 348.372 3.363 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)[nH]1 ZINC000268502144 455699603 /nfs/dbraw/zinc/69/96/03/455699603.db2.gz SNXRFMIUSTZATJ-OAHLLOKOSA-N 1 2 348.372 3.363 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000268502144 455699608 /nfs/dbraw/zinc/69/96/08/455699608.db2.gz SNXRFMIUSTZATJ-OAHLLOKOSA-N 1 2 348.372 3.363 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000268502144 455699614 /nfs/dbraw/zinc/69/96/14/455699614.db2.gz SNXRFMIUSTZATJ-OAHLLOKOSA-N 1 2 348.372 3.363 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)n[nH]1 ZINC000268502144 455699617 /nfs/dbraw/zinc/69/96/17/455699617.db2.gz SNXRFMIUSTZATJ-OAHLLOKOSA-N 1 2 348.372 3.363 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)n[nH]1 ZINC000268502144 455699621 /nfs/dbraw/zinc/69/96/21/455699621.db2.gz SNXRFMIUSTZATJ-OAHLLOKOSA-N 1 2 348.372 3.363 20 30 EGEDLO COc1cc[nH+]cc1CNC(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000292604422 455709572 /nfs/dbraw/zinc/70/95/72/455709572.db2.gz LNWBGDULXIJKBI-UHFFFAOYSA-N 1 2 340.383 3.071 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+](C)Cc2ccccc2F)c(C#N)c1C ZINC000193320794 455753407 /nfs/dbraw/zinc/75/34/07/455753407.db2.gz OAPBZUXMWJSFLQ-UHFFFAOYSA-N 1 2 331.416 3.446 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+](C)Cc2ccccc2F)c(C#N)c1C ZINC000193320794 455753409 /nfs/dbraw/zinc/75/34/09/455753409.db2.gz OAPBZUXMWJSFLQ-UHFFFAOYSA-N 1 2 331.416 3.446 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278265748 455801682 /nfs/dbraw/zinc/80/16/82/455801682.db2.gz RCWUFJUUPXECEP-UHFFFAOYSA-N 1 2 335.404 3.461 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278265748 455801685 /nfs/dbraw/zinc/80/16/85/455801685.db2.gz RCWUFJUUPXECEP-UHFFFAOYSA-N 1 2 335.404 3.461 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2nc(-c3ccc(C)cc3)cs2)C1=O ZINC000285448304 455847658 /nfs/dbraw/zinc/84/76/58/455847658.db2.gz XWHDTGKJWUUHPL-KRWDZBQOSA-N 1 2 341.480 3.337 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2nc(-c3ccc(C)cc3)cs2)C1=O ZINC000285448304 455847662 /nfs/dbraw/zinc/84/76/62/455847662.db2.gz XWHDTGKJWUUHPL-KRWDZBQOSA-N 1 2 341.480 3.337 20 30 EGEDLO C[C@H](c1nnc(S[C@H](C#N)C2CC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000601071399 460697694 /nfs/dbraw/zinc/69/76/94/460697694.db2.gz XCBDDVZSPYXUOA-IAQYHMDHSA-N 1 2 345.447 3.423 20 30 EGEDLO C=C(C)[C@H](CC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1)OCC ZINC000270069705 455871388 /nfs/dbraw/zinc/87/13/88/455871388.db2.gz XCCCAZAVKVUXPM-FUHWJXTLSA-N 1 2 345.418 3.136 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(Cl)cc(C(C)=O)c2O)n1 ZINC000279701816 455871697 /nfs/dbraw/zinc/87/16/97/455871697.db2.gz JABOBRBKANSKIR-UHFFFAOYSA-N 1 2 345.830 3.100 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(Cl)cc(C(C)=O)c2O)n1 ZINC000279701816 455871702 /nfs/dbraw/zinc/87/17/02/455871702.db2.gz JABOBRBKANSKIR-UHFFFAOYSA-N 1 2 345.830 3.100 20 30 EGEDLO C[N@@H+]1CCc2nc(NC(=O)c3ccc(C(C)(C)C#N)cc3)sc2C1 ZINC000280026568 455881636 /nfs/dbraw/zinc/88/16/36/455881636.db2.gz VSDLNJZLAYMIBT-UHFFFAOYSA-N 1 2 340.452 3.184 20 30 EGEDLO C[N@H+]1CCc2nc(NC(=O)c3ccc(C(C)(C)C#N)cc3)sc2C1 ZINC000280026568 455881638 /nfs/dbraw/zinc/88/16/38/455881638.db2.gz VSDLNJZLAYMIBT-UHFFFAOYSA-N 1 2 340.452 3.184 20 30 EGEDLO C[NH+](C)[C@@H](CNC(=O)c1ccc(CC#N)cc1)c1c(F)cccc1F ZINC000270345463 455934289 /nfs/dbraw/zinc/93/42/89/455934289.db2.gz RXDFCLSNPQGFBR-KRWDZBQOSA-N 1 2 343.377 3.064 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@](C)(C#N)C(C)(C)C ZINC000280305875 455942581 /nfs/dbraw/zinc/94/25/81/455942581.db2.gz JEZVZSOARJAIDR-QGZVFWFLSA-N 1 2 334.370 3.068 20 30 EGEDLO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[NH+]1CCC(C)(C#N)CC1 ZINC000272588324 456004411 /nfs/dbraw/zinc/00/44/11/456004411.db2.gz PBQWTZPXNCFXMT-LLVKDONJSA-N 1 2 346.431 3.388 20 30 EGEDLO C#CCCCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000270824795 456047964 /nfs/dbraw/zinc/04/79/64/456047964.db2.gz HPTVNCXHLGQDDI-UHFFFAOYSA-N 1 2 326.469 3.369 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000286930789 456057099 /nfs/dbraw/zinc/05/70/99/456057099.db2.gz NJMCVIIFENSCHT-CVEARBPZSA-N 1 2 335.245 3.464 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000286930789 456057102 /nfs/dbraw/zinc/05/71/02/456057102.db2.gz NJMCVIIFENSCHT-CVEARBPZSA-N 1 2 335.245 3.464 20 30 EGEDLO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287593083 456073254 /nfs/dbraw/zinc/07/32/54/456073254.db2.gz CWACILBEPRXKQN-MRXNPFEDSA-N 1 2 337.261 3.305 20 30 EGEDLO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287593083 456073262 /nfs/dbraw/zinc/07/32/62/456073262.db2.gz CWACILBEPRXKQN-MRXNPFEDSA-N 1 2 337.261 3.305 20 30 EGEDLO CCCCCCCCCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000270967567 456079664 /nfs/dbraw/zinc/07/96/64/456079664.db2.gz BEDFTOUJGRZUQZ-INIZCTEOSA-N 1 2 337.464 3.141 20 30 EGEDLO CCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000270967567 456079669 /nfs/dbraw/zinc/07/96/69/456079669.db2.gz BEDFTOUJGRZUQZ-INIZCTEOSA-N 1 2 337.464 3.141 20 30 EGEDLO C=CC[C@@H](CC)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000280931065 456085472 /nfs/dbraw/zinc/08/54/72/456085472.db2.gz FYDSQRQHOTYTBC-CZUORRHYSA-N 1 2 330.407 3.303 20 30 EGEDLO CC[N@H+](Cc1ccncc1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000270996447 456090215 /nfs/dbraw/zinc/09/02/15/456090215.db2.gz JIDBXEHJWHYWEV-ZDUSSCGKSA-N 1 2 326.400 3.012 20 30 EGEDLO CC[N@@H+](Cc1ccncc1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000270996447 456090223 /nfs/dbraw/zinc/09/02/23/456090223.db2.gz JIDBXEHJWHYWEV-ZDUSSCGKSA-N 1 2 326.400 3.012 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCCc3occc3C2)c(C#N)c1C ZINC000288885311 456109115 /nfs/dbraw/zinc/10/91/15/456109115.db2.gz RISWSSARPDYKFT-LBPRGKRZSA-N 1 2 327.384 3.137 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCCc3occc3C2)c(C#N)c1C ZINC000288885311 456109119 /nfs/dbraw/zinc/10/91/19/456109119.db2.gz RISWSSARPDYKFT-LBPRGKRZSA-N 1 2 327.384 3.137 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCCc3occc3C2)c(C#N)c1C ZINC000288885306 456109318 /nfs/dbraw/zinc/10/93/18/456109318.db2.gz RISWSSARPDYKFT-GFCCVEGCSA-N 1 2 327.384 3.137 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCCc3occc3C2)c(C#N)c1C ZINC000288885306 456109324 /nfs/dbraw/zinc/10/93/24/456109324.db2.gz RISWSSARPDYKFT-GFCCVEGCSA-N 1 2 327.384 3.137 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)cc1Cl ZINC000188699517 456116813 /nfs/dbraw/zinc/11/68/13/456116813.db2.gz NDZPNQGRRCPXPM-UHFFFAOYSA-N 1 2 348.874 3.349 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CCCN(C(=O)C3CC3)CC2)cc1Cl ZINC000188699517 456116820 /nfs/dbraw/zinc/11/68/20/456116820.db2.gz NDZPNQGRRCPXPM-UHFFFAOYSA-N 1 2 348.874 3.349 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c(C#N)c1C ZINC000289704791 456137792 /nfs/dbraw/zinc/13/77/92/456137792.db2.gz ITQFJFRFRYKGIS-GOEBONIOSA-N 1 2 347.484 3.065 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c(C#N)c1C ZINC000289704791 456137794 /nfs/dbraw/zinc/13/77/94/456137794.db2.gz ITQFJFRFRYKGIS-GOEBONIOSA-N 1 2 347.484 3.065 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c(C#N)c1C ZINC000289704786 456137965 /nfs/dbraw/zinc/13/79/65/456137965.db2.gz ITQFJFRFRYKGIS-GDBMZVCRSA-N 1 2 347.484 3.065 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c(C#N)c1C ZINC000289704786 456137973 /nfs/dbraw/zinc/13/79/73/456137973.db2.gz ITQFJFRFRYKGIS-GDBMZVCRSA-N 1 2 347.484 3.065 20 30 EGEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000289768744 456140417 /nfs/dbraw/zinc/14/04/17/456140417.db2.gz RFJKAQBYOWJUNP-INIZCTEOSA-N 1 2 327.449 3.287 20 30 EGEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000289768744 456140424 /nfs/dbraw/zinc/14/04/24/456140424.db2.gz RFJKAQBYOWJUNP-INIZCTEOSA-N 1 2 327.449 3.287 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC(F)(F)[C@@H](C)C2)c(C#N)c1C ZINC000289864815 456160592 /nfs/dbraw/zinc/16/05/92/456160592.db2.gz QMWVFBZEXKNFLC-GXSJLCMTSA-N 1 2 325.359 3.072 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC(F)(F)[C@@H](C)C2)c(C#N)c1C ZINC000289864815 456160595 /nfs/dbraw/zinc/16/05/95/456160595.db2.gz QMWVFBZEXKNFLC-GXSJLCMTSA-N 1 2 325.359 3.072 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(Cl)cc3F)CC2)nc1 ZINC000188974610 456187287 /nfs/dbraw/zinc/18/72/87/456187287.db2.gz MPKZVZRYCNAAPF-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO N#CC1(CCCO[NH+]=C(N)Cc2ccc(Cl)cc2)CCOCC1 ZINC000281375300 456217220 /nfs/dbraw/zinc/21/72/20/456217220.db2.gz OTIYVQXMIXDCSX-UHFFFAOYSA-N 1 2 335.835 3.272 20 30 EGEDLO COc1cc(C[NH2+][C@H](c2nc(C3CC3)no2)C(C)C)ccc1C#N ZINC000281722833 456301304 /nfs/dbraw/zinc/30/13/04/456301304.db2.gz PHGULZBECRYPST-INIZCTEOSA-N 1 2 326.400 3.314 20 30 EGEDLO CN(C(=O)c1ccc(F)c(C#N)c1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352782638 456301872 /nfs/dbraw/zinc/30/18/72/456301872.db2.gz JGURPFSZKMSPDD-KRWDZBQOSA-N 1 2 334.354 3.282 20 30 EGEDLO Cc1cccc([C@H](CNc2c(C#N)cccc2C#N)[NH+]2CCOCC2)c1 ZINC000302401762 456340171 /nfs/dbraw/zinc/34/01/71/456340171.db2.gz DZRKBZUFSHUAKG-FQEVSTJZSA-N 1 2 346.434 3.224 20 30 EGEDLO CC#CCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccnc1 ZINC000282171882 456433168 /nfs/dbraw/zinc/43/31/68/456433168.db2.gz VEKSNUXDFVQDER-KRWDZBQOSA-N 1 2 329.444 3.089 20 30 EGEDLO CC#CCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccnc1 ZINC000282171882 456433173 /nfs/dbraw/zinc/43/31/73/456433173.db2.gz VEKSNUXDFVQDER-KRWDZBQOSA-N 1 2 329.444 3.089 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2cscc2Br)CC1 ZINC000348283422 456596489 /nfs/dbraw/zinc/59/64/89/456596489.db2.gz CAZITZDZCCCMPS-UHFFFAOYSA-N 1 2 329.263 3.263 20 30 EGEDLO Cc1oncc1C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348309903 456613723 /nfs/dbraw/zinc/61/37/23/456613723.db2.gz VHBQKKIAWDHXRV-QGZVFWFLSA-N 1 2 330.819 3.019 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+](Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000338164058 456677735 /nfs/dbraw/zinc/67/77/35/456677735.db2.gz OZXUDYOCEJLIGA-UHFFFAOYSA-N 1 2 345.487 3.258 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+](Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000338164058 456677741 /nfs/dbraw/zinc/67/77/41/456677741.db2.gz OZXUDYOCEJLIGA-UHFFFAOYSA-N 1 2 345.487 3.258 20 30 EGEDLO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@@H+](C)C[C@H](C)C#N ZINC000353454241 456698930 /nfs/dbraw/zinc/69/89/30/456698930.db2.gz ISQHXJMHMFTMSP-OWCLPIDISA-N 1 2 327.472 3.223 20 30 EGEDLO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@H+](C)C[C@H](C)C#N ZINC000353454241 456698934 /nfs/dbraw/zinc/69/89/34/456698934.db2.gz ISQHXJMHMFTMSP-OWCLPIDISA-N 1 2 327.472 3.223 20 30 EGEDLO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@@H+]1CCOC[C@@H](C)C1 ZINC000328701625 456741202 /nfs/dbraw/zinc/74/12/02/456741202.db2.gz WVCSBYBUSMQMQG-WDEREUQCSA-N 1 2 337.420 3.380 20 30 EGEDLO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+]1CCOC[C@@H](C)C1 ZINC000328701625 456741206 /nfs/dbraw/zinc/74/12/06/456741206.db2.gz WVCSBYBUSMQMQG-WDEREUQCSA-N 1 2 337.420 3.380 20 30 EGEDLO O=C(C[N@H+]1CCC[C@@H]1CF)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000328781010 456760447 /nfs/dbraw/zinc/76/04/47/456760447.db2.gz FNVUNZLUCDVVDU-GNFNDJEDSA-N 1 2 337.439 3.260 20 30 EGEDLO O=C(C[N@@H+]1CCC[C@@H]1CF)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000328781010 456760456 /nfs/dbraw/zinc/76/04/56/456760456.db2.gz FNVUNZLUCDVVDU-GNFNDJEDSA-N 1 2 337.439 3.260 20 30 EGEDLO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000343747315 456771779 /nfs/dbraw/zinc/77/17/79/456771779.db2.gz KZBYXVVXYOCJFT-QWHCGFSZSA-N 1 2 339.365 3.062 20 30 EGEDLO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000343747315 456771787 /nfs/dbraw/zinc/77/17/87/456771787.db2.gz KZBYXVVXYOCJFT-QWHCGFSZSA-N 1 2 339.365 3.062 20 30 EGEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000328863510 456780415 /nfs/dbraw/zinc/78/04/15/456780415.db2.gz BCGACWFQLYAGPX-OCCSQVGLSA-N 1 2 345.468 3.220 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1OCCc2sccc21 ZINC000328908933 456788943 /nfs/dbraw/zinc/78/89/43/456788943.db2.gz DIFDQMLTAGWYQY-LYOVBCGYSA-N 1 2 331.441 3.235 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1OCCc2sccc21 ZINC000328908933 456788949 /nfs/dbraw/zinc/78/89/49/456788949.db2.gz DIFDQMLTAGWYQY-LYOVBCGYSA-N 1 2 331.441 3.235 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1)[NH+]1CCSCC1 ZINC000328924317 456792680 /nfs/dbraw/zinc/79/26/80/456792680.db2.gz DISKMYVWWQLZGC-GXTWGEPZSA-N 1 2 333.457 3.156 20 30 EGEDLO CC(C)(C)[C@@H]1C[C@H](NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CCO1 ZINC000328927929 456793854 /nfs/dbraw/zinc/79/38/54/456793854.db2.gz GEGBRZDFVHBGJD-ILXRZTDVSA-N 1 2 334.464 3.444 20 30 EGEDLO CCc1cccc2c1OCC[C@@H]2NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328939314 456796734 /nfs/dbraw/zinc/79/67/34/456796734.db2.gz HBLAVSDGZYGKOW-YOEHRIQHSA-N 1 2 325.412 3.488 20 30 EGEDLO Cn1cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c(C2CCCCC2)n1 ZINC000328982546 456807072 /nfs/dbraw/zinc/80/70/72/456807072.db2.gz YMOJTTCUEBHIEU-ZDUSSCGKSA-N 1 2 327.432 3.053 20 30 EGEDLO Cn1cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c(C2CCCCC2)n1 ZINC000328982546 456807074 /nfs/dbraw/zinc/80/70/74/456807074.db2.gz YMOJTTCUEBHIEU-ZDUSSCGKSA-N 1 2 327.432 3.053 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)CC[C@H]1CCCCO1)C1CCOCC1 ZINC000329000627 456809609 /nfs/dbraw/zinc/80/96/09/456809609.db2.gz HMNUVRZSBZOIMC-NVXWUHKLSA-N 1 2 335.448 3.194 20 30 EGEDLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1F ZINC000329043774 456821562 /nfs/dbraw/zinc/82/15/62/456821562.db2.gz PBQZWODMQVWCMT-ZDUSSCGKSA-N 1 2 344.390 3.472 20 30 EGEDLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1F ZINC000329043774 456821567 /nfs/dbraw/zinc/82/15/67/456821567.db2.gz PBQZWODMQVWCMT-ZDUSSCGKSA-N 1 2 344.390 3.472 20 30 EGEDLO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000329071413 456829468 /nfs/dbraw/zinc/82/94/68/456829468.db2.gz NUKSREGOQJVJIZ-VQIMIIECSA-N 1 2 332.444 3.161 20 30 EGEDLO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000329071413 456829476 /nfs/dbraw/zinc/82/94/76/456829476.db2.gz NUKSREGOQJVJIZ-VQIMIIECSA-N 1 2 332.444 3.161 20 30 EGEDLO COc1nc2ccc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)cc2s1 ZINC000329116005 456837339 /nfs/dbraw/zinc/83/73/39/456837339.db2.gz TUPQNOVVOGHVBQ-JTQLQIEISA-N 1 2 328.397 3.352 20 30 EGEDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1conc1C1CC1 ZINC000329178119 456848664 /nfs/dbraw/zinc/84/86/64/456848664.db2.gz COBCXLKZGKKJLY-UHFFFAOYSA-N 1 2 326.400 3.442 20 30 EGEDLO O=C(Nc1nc(C2CCOCC2)cs1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329222607 456855698 /nfs/dbraw/zinc/85/56/98/456855698.db2.gz WRSUIJRSXDTLEV-GFCCVEGCSA-N 1 2 332.429 3.084 20 30 EGEDLO Cc1nnc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc(C)c3)C2)[nH]1 ZINC000329254953 456862163 /nfs/dbraw/zinc/86/21/63/456862163.db2.gz ALZGNTJMVHINAR-ZFWWWQNUSA-N 1 2 327.432 3.278 20 30 EGEDLO Cc1nnc([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc(C)c3)C2)[nH]1 ZINC000329254953 456862165 /nfs/dbraw/zinc/86/21/65/456862165.db2.gz ALZGNTJMVHINAR-ZFWWWQNUSA-N 1 2 327.432 3.278 20 30 EGEDLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc(C)c3)C2)n1 ZINC000329254953 456862166 /nfs/dbraw/zinc/86/21/66/456862166.db2.gz ALZGNTJMVHINAR-ZFWWWQNUSA-N 1 2 327.432 3.278 20 30 EGEDLO Cc1n[nH]c([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc(C)c3)C2)n1 ZINC000329254953 456862167 /nfs/dbraw/zinc/86/21/67/456862167.db2.gz ALZGNTJMVHINAR-ZFWWWQNUSA-N 1 2 327.432 3.278 20 30 EGEDLO Cc1nc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc(C)c3)C2)n[nH]1 ZINC000329254953 456862169 /nfs/dbraw/zinc/86/21/69/456862169.db2.gz ALZGNTJMVHINAR-ZFWWWQNUSA-N 1 2 327.432 3.278 20 30 EGEDLO Cc1nc([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc(C)c3)C2)n[nH]1 ZINC000329254953 456862170 /nfs/dbraw/zinc/86/21/70/456862170.db2.gz ALZGNTJMVHINAR-ZFWWWQNUSA-N 1 2 327.432 3.278 20 30 EGEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1CC(=O)N[C@H](C)C1 ZINC000329340001 456875429 /nfs/dbraw/zinc/87/54/29/456875429.db2.gz OBZNSVPRNOZJPF-GDBMZVCRSA-N 1 2 345.443 3.170 20 30 EGEDLO Cc1cc(NC(=O)N[C@]2(C)CCCOC2)c[nH+]c1N1CCCC[C@H]1C ZINC000329359069 456878567 /nfs/dbraw/zinc/87/85/67/456878567.db2.gz XJOVNOLWVCPOJT-DNVCBOLYSA-N 1 2 346.475 3.473 20 30 EGEDLO Cc1cn2cc(NC(=O)N3CCC[C@H]3C3CCOCC3)ccc2[nH+]1 ZINC000329385662 456883011 /nfs/dbraw/zinc/88/30/11/456883011.db2.gz SDAXJYRYKBAXCP-INIZCTEOSA-N 1 2 328.416 3.079 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc(F)c3)C2)[nH]1 ZINC000329433900 456889452 /nfs/dbraw/zinc/88/94/52/456889452.db2.gz JAYRGEJZANMRDV-WCQYABFASA-N 1 2 331.395 3.108 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc(F)c3)C2)[nH]1 ZINC000329433900 456889456 /nfs/dbraw/zinc/88/94/56/456889456.db2.gz JAYRGEJZANMRDV-WCQYABFASA-N 1 2 331.395 3.108 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc(F)c3)C2)n1 ZINC000329433900 456889459 /nfs/dbraw/zinc/88/94/59/456889459.db2.gz JAYRGEJZANMRDV-WCQYABFASA-N 1 2 331.395 3.108 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc(F)c3)C2)n1 ZINC000329433900 456889461 /nfs/dbraw/zinc/88/94/61/456889461.db2.gz JAYRGEJZANMRDV-WCQYABFASA-N 1 2 331.395 3.108 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc(F)c3)C2)n[nH]1 ZINC000329433900 456889463 /nfs/dbraw/zinc/88/94/63/456889463.db2.gz JAYRGEJZANMRDV-WCQYABFASA-N 1 2 331.395 3.108 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc(F)c3)C2)n[nH]1 ZINC000329433900 456889465 /nfs/dbraw/zinc/88/94/65/456889465.db2.gz JAYRGEJZANMRDV-WCQYABFASA-N 1 2 331.395 3.108 20 30 EGEDLO CC[C@@H]1CCc2nc([NH+]=C([O-])N[C@H]3CCc4[nH]c[nH+]c4C3)sc2C1 ZINC000329522059 456904439 /nfs/dbraw/zinc/90/44/39/456904439.db2.gz PFRBVWCZCNNRRV-MNOVXSKESA-N 1 2 345.472 3.265 20 30 EGEDLO CC[C@@H]1CCc2nc([NH+]=C([O-])N[C@H]3CCc4[nH+]c[nH]c4C3)sc2C1 ZINC000329522059 456904441 /nfs/dbraw/zinc/90/44/41/456904441.db2.gz PFRBVWCZCNNRRV-MNOVXSKESA-N 1 2 345.472 3.265 20 30 EGEDLO CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329576669 456910821 /nfs/dbraw/zinc/91/08/21/456910821.db2.gz SJWNTGQYHBVPOO-BZUAXINKSA-N 1 2 348.491 3.344 20 30 EGEDLO CC1(C)CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)[C@@H]1c1cccs1 ZINC000329585328 456912685 /nfs/dbraw/zinc/91/26/85/456912685.db2.gz YCCLATGQDFTUGU-IUODEOHRSA-N 1 2 330.457 3.257 20 30 EGEDLO CCc1cccc(F)c1C[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000353830913 456927238 /nfs/dbraw/zinc/92/72/38/456927238.db2.gz YRYQVLSOZNAWFT-VFNWGFHPSA-N 1 2 349.409 3.234 20 30 EGEDLO CCc1cccc(F)c1C[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000353830913 456927243 /nfs/dbraw/zinc/92/72/43/456927243.db2.gz YRYQVLSOZNAWFT-VFNWGFHPSA-N 1 2 349.409 3.234 20 30 EGEDLO CC[C@H](NC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1)C1CCOCC1 ZINC000329905886 456959705 /nfs/dbraw/zinc/95/97/05/456959705.db2.gz RSZGQWAMJBBURX-HNNXBMFYSA-N 1 2 348.491 3.021 20 30 EGEDLO CCN1CCN(C(=O)NCCC2=CCCCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329945459 456964777 /nfs/dbraw/zinc/96/47/77/456964777.db2.gz FWYIXGWPZUHLDU-QGZVFWFLSA-N 1 2 345.491 3.283 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000349428000 456967666 /nfs/dbraw/zinc/96/76/66/456967666.db2.gz JUXBSYKKJOLTCS-KGLIPLIRSA-N 1 2 340.452 3.336 20 30 EGEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2cccs2)C[C@@]2(CCOC2)O1 ZINC000330082867 456981924 /nfs/dbraw/zinc/98/19/24/456981924.db2.gz QGHDWJNLWQZJBH-CKEIUWERSA-N 1 2 338.473 3.036 20 30 EGEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)c2cccs2)C[C@@]2(CCOC2)O1 ZINC000330082867 456981926 /nfs/dbraw/zinc/98/19/26/456981926.db2.gz QGHDWJNLWQZJBH-CKEIUWERSA-N 1 2 338.473 3.036 20 30 EGEDLO Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330105079 456985432 /nfs/dbraw/zinc/98/54/32/456985432.db2.gz IBXGQCNYXVGKOR-JTDSTZFVSA-N 1 2 332.444 3.241 20 30 EGEDLO Cc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330105079 456985434 /nfs/dbraw/zinc/98/54/34/456985434.db2.gz IBXGQCNYXVGKOR-JTDSTZFVSA-N 1 2 332.444 3.241 20 30 EGEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000330140909 456991349 /nfs/dbraw/zinc/99/13/49/456991349.db2.gz XHAUYPWTDKKWBT-LLWIOPJKSA-N 1 2 338.492 3.180 20 30 EGEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000330140909 456991353 /nfs/dbraw/zinc/99/13/53/456991353.db2.gz XHAUYPWTDKKWBT-LLWIOPJKSA-N 1 2 338.492 3.180 20 30 EGEDLO C=CCOc1cccc(C[N@@H+](C)Cc2nc([C@H](C)OCC)no2)c1 ZINC000353996330 456994432 /nfs/dbraw/zinc/99/44/32/456994432.db2.gz OLDLXTRHNUYQBH-AWEZNQCLSA-N 1 2 331.416 3.364 20 30 EGEDLO C=CCOc1cccc(C[N@H+](C)Cc2nc([C@H](C)OCC)no2)c1 ZINC000353996330 456994437 /nfs/dbraw/zinc/99/44/37/456994437.db2.gz OLDLXTRHNUYQBH-AWEZNQCLSA-N 1 2 331.416 3.364 20 30 EGEDLO CCc1ccc(NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)cc1F ZINC000330282186 457020915 /nfs/dbraw/zinc/02/09/15/457020915.db2.gz ALFHDIDKDTZCKV-PBHICJAKSA-N 1 2 346.406 3.177 20 30 EGEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000346306634 457030338 /nfs/dbraw/zinc/03/03/38/457030338.db2.gz JQMQNIBDCXRTBZ-ZDUSSCGKSA-N 1 2 344.436 3.492 20 30 EGEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000346306634 457030341 /nfs/dbraw/zinc/03/03/41/457030341.db2.gz JQMQNIBDCXRTBZ-ZDUSSCGKSA-N 1 2 344.436 3.492 20 30 EGEDLO O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000330355809 457034140 /nfs/dbraw/zinc/03/41/40/457034140.db2.gz QXVMBTMGIHHXLA-HALDLXJZSA-N 1 2 340.427 3.424 20 30 EGEDLO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1NC([O-])=[NH+][C@H]1[C@@H]2COC[C@@H]21 ZINC000330360491 457035382 /nfs/dbraw/zinc/03/53/82/457035382.db2.gz XEEUWFMPWGZSSY-KMANFZQXSA-N 1 2 329.444 3.345 20 30 EGEDLO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1NC([O-])=[NH+][C@H]1[C@@H]2COC[C@@H]21 ZINC000330360491 457035386 /nfs/dbraw/zinc/03/53/86/457035386.db2.gz XEEUWFMPWGZSSY-KMANFZQXSA-N 1 2 329.444 3.345 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2cc(Br)ccc2F)CC1 ZINC000341983067 457041768 /nfs/dbraw/zinc/04/17/68/457041768.db2.gz SYJKJBDQCWWSEW-UHFFFAOYSA-N 1 2 341.224 3.340 20 30 EGEDLO CC(C)[C@H](CNC(=O)c1csc(C(C)(C)C)n1)[NH+]1CCOCC1 ZINC000330458819 457046502 /nfs/dbraw/zinc/04/65/02/457046502.db2.gz ZGLJGJXKXKNBLR-AWEZNQCLSA-N 1 2 339.505 3.102 20 30 EGEDLO CCNc1ccc(C#N)cc1NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000354078678 457047846 /nfs/dbraw/zinc/04/78/46/457047846.db2.gz WEDQUHFHEJEOGP-UHFFFAOYSA-N 1 2 333.395 3.287 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2ccn(-c3ccc(Cl)cc3)n2)CC1 ZINC000341995980 457049996 /nfs/dbraw/zinc/04/99/96/457049996.db2.gz RGLRBUGFHMUJQT-UHFFFAOYSA-N 1 2 344.846 3.278 20 30 EGEDLO Cc1cc(NC(=O)N[C@H](C)CCCO)c[nH+]c1N1CCCC[C@@H]1C ZINC000330783496 457085459 /nfs/dbraw/zinc/08/54/59/457085459.db2.gz QPSCNCGMXYOXFH-CABCVRRESA-N 1 2 334.464 3.256 20 30 EGEDLO CC[NH+]=C([O-])Nc1ccc(C)c(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000331210403 457146909 /nfs/dbraw/zinc/14/69/09/457146909.db2.gz QZDXGRSFPHYPHI-OKILXGFUSA-N 1 2 332.448 3.152 20 30 EGEDLO CC[NH+]=C([O-])Nc1ccc(C)c(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000331210403 457146910 /nfs/dbraw/zinc/14/69/10/457146910.db2.gz QZDXGRSFPHYPHI-OKILXGFUSA-N 1 2 332.448 3.152 20 30 EGEDLO Cc1cc(C)c(NC(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)c(C)[nH+]1 ZINC000331231225 457149640 /nfs/dbraw/zinc/14/96/40/457149640.db2.gz IDOPRFPMZSQSAG-ZDUSSCGKSA-N 1 2 344.381 3.217 20 30 EGEDLO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000350060625 457158315 /nfs/dbraw/zinc/15/83/15/457158315.db2.gz SRDATWAVRMGLBY-BHIYHBOVSA-N 1 2 325.456 3.159 20 30 EGEDLO C[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000350060625 457158320 /nfs/dbraw/zinc/15/83/20/457158320.db2.gz SRDATWAVRMGLBY-BHIYHBOVSA-N 1 2 325.456 3.159 20 30 EGEDLO N#CC1(c2ccc(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)cc2)CC1 ZINC000346780963 457167386 /nfs/dbraw/zinc/16/73/86/457167386.db2.gz RXXUGGNIJOUHRR-UHFFFAOYSA-N 1 2 342.402 3.357 20 30 EGEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000339757420 457251081 /nfs/dbraw/zinc/25/10/81/457251081.db2.gz RECNYRADOFTRDP-LBPRGKRZSA-N 1 2 331.416 3.231 20 30 EGEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000339757420 457251086 /nfs/dbraw/zinc/25/10/86/457251086.db2.gz RECNYRADOFTRDP-LBPRGKRZSA-N 1 2 331.416 3.231 20 30 EGEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCc3ccc(C#N)cc32)c1 ZINC000339822976 457293050 /nfs/dbraw/zinc/29/30/50/457293050.db2.gz STWDIXQKRDPSLF-UHFFFAOYSA-N 1 2 328.375 3.255 20 30 EGEDLO N#CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000360198579 457293386 /nfs/dbraw/zinc/29/33/86/457293386.db2.gz MCYTWYPKJBRZHA-HNNXBMFYSA-N 1 2 337.826 3.254 20 30 EGEDLO N#CCCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000360198579 457293393 /nfs/dbraw/zinc/29/33/93/457293393.db2.gz MCYTWYPKJBRZHA-HNNXBMFYSA-N 1 2 337.826 3.254 20 30 EGEDLO C=CCC[C@@H](O)C[NH+](Cc1c(C)noc1C)Cc1c(C)noc1C ZINC000351474025 457298129 /nfs/dbraw/zinc/29/81/29/457298129.db2.gz XFCPIYIMFQXLGA-MRXNPFEDSA-N 1 2 333.432 3.226 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000352022979 457334944 /nfs/dbraw/zinc/33/49/44/457334944.db2.gz SOJGRXIJCUQOGE-UHFFFAOYSA-N 1 2 334.410 3.479 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000352022979 457334951 /nfs/dbraw/zinc/33/49/51/457334951.db2.gz SOJGRXIJCUQOGE-UHFFFAOYSA-N 1 2 334.410 3.479 20 30 EGEDLO C=C(C)C[N@H+]1CCOC[C@@H]1c1c(C)nn(-c2cccc(OC)c2)c1C ZINC000355247286 457351099 /nfs/dbraw/zinc/35/10/99/457351099.db2.gz IVHPSKDQXFKVOT-LJQANCHMSA-N 1 2 341.455 3.447 20 30 EGEDLO C=C(C)C[N@@H+]1CCOC[C@@H]1c1c(C)nn(-c2cccc(OC)c2)c1C ZINC000355247286 457351105 /nfs/dbraw/zinc/35/11/05/457351105.db2.gz IVHPSKDQXFKVOT-LJQANCHMSA-N 1 2 341.455 3.447 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@](C)(F)C2)c1 ZINC000347355959 457371118 /nfs/dbraw/zinc/37/11/18/457371118.db2.gz QQQOXCIBQHWVCS-QFBILLFUSA-N 1 2 331.435 3.373 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@](C)(F)C2)c1 ZINC000347355959 457371124 /nfs/dbraw/zinc/37/11/24/457371124.db2.gz QQQOXCIBQHWVCS-QFBILLFUSA-N 1 2 331.435 3.373 20 30 EGEDLO CC[N@@H+](CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)C[C@@H](C)C#N ZINC000355438960 457374319 /nfs/dbraw/zinc/37/43/19/457374319.db2.gz XOMIBHNSXFUWTI-DLBZAZTESA-N 1 2 327.472 3.295 20 30 EGEDLO CC[N@H+](CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)C[C@@H](C)C#N ZINC000355438960 457374329 /nfs/dbraw/zinc/37/43/29/457374329.db2.gz XOMIBHNSXFUWTI-DLBZAZTESA-N 1 2 327.472 3.295 20 30 EGEDLO C=CCc1cc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc(OC)c1OC ZINC000378412656 457394764 /nfs/dbraw/zinc/39/47/64/457394764.db2.gz RGQJSCWJVTXWTF-OAHLLOKOSA-N 1 2 341.411 3.133 20 30 EGEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCCn3c(cc4ccccc43)C2)c1 ZINC000347520343 457482177 /nfs/dbraw/zinc/48/21/77/457482177.db2.gz OMVUZQROIQCCCY-UHFFFAOYSA-N 1 2 344.418 3.357 20 30 EGEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCCn3c(cc4ccccc43)C2)c1 ZINC000347520343 457482185 /nfs/dbraw/zinc/48/21/85/457482185.db2.gz OMVUZQROIQCCCY-UHFFFAOYSA-N 1 2 344.418 3.357 20 30 EGEDLO Cc1cc(C)c2ncc(C#N)c(NCc3ccn4cc[nH+]c4c3)c2c1 ZINC000357430401 457520481 /nfs/dbraw/zinc/52/04/81/457520481.db2.gz AQCKJZIWKRYSHJ-UHFFFAOYSA-N 1 2 327.391 3.405 20 30 EGEDLO CCc1cnccc1[C@H](C)[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000361133938 457602932 /nfs/dbraw/zinc/60/29/32/457602932.db2.gz APDJNZWJLDYINF-ZDUSSCGKSA-N 1 2 333.395 3.416 20 30 EGEDLO N#Cc1ccc2ncc(C[NH2+][C@@H]3CCOc4c(F)ccc(F)c43)n2c1 ZINC000361237880 457661168 /nfs/dbraw/zinc/66/11/68/457661168.db2.gz QUVCKBKNLKUPCN-OAHLLOKOSA-N 1 2 340.333 3.098 20 30 EGEDLO Cc1ccc2[nH+]cc(CN3CCC(C#N)(c4ccccn4)CC3)n2c1 ZINC000370533086 457667672 /nfs/dbraw/zinc/66/76/72/457667672.db2.gz IQAAYCXMDJYBSV-UHFFFAOYSA-N 1 2 331.423 3.095 20 30 EGEDLO N#CC1(F)CC[NH+](Cc2nc3ccc(Br)cc3o2)CC1 ZINC000361381908 457712911 /nfs/dbraw/zinc/71/29/11/457712911.db2.gz ROILQMJQARYSTE-UHFFFAOYSA-N 1 2 338.180 3.418 20 30 EGEDLO N#CCc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccccc3Cl)C2)cc1 ZINC000374874350 457724722 /nfs/dbraw/zinc/72/47/22/457724722.db2.gz JUUGEEUHMQWDGV-GOSISDBHSA-N 1 2 339.826 3.193 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443661470 457800829 /nfs/dbraw/zinc/80/08/29/457800829.db2.gz UEAGZTHXTNGMJK-HNNXBMFYSA-N 1 2 336.863 3.218 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443661470 457800836 /nfs/dbraw/zinc/80/08/36/457800836.db2.gz UEAGZTHXTNGMJK-HNNXBMFYSA-N 1 2 336.863 3.218 20 30 EGEDLO Cc1cccc2[nH+]c(CNC(=O)[C@H](C#N)CCc3ccccc3)cn21 ZINC000433346086 457817513 /nfs/dbraw/zinc/81/75/13/457817513.db2.gz BNQQOUDUWMZZON-KRWDZBQOSA-N 1 2 332.407 3.032 20 30 EGEDLO C=CC[N@H+](Cc1ccccc1F)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000411190769 457824912 /nfs/dbraw/zinc/82/49/12/457824912.db2.gz VCZWLUNRCKEAPT-DNVCBOLYSA-N 1 2 331.435 3.257 20 30 EGEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000411190769 457824921 /nfs/dbraw/zinc/82/49/21/457824921.db2.gz VCZWLUNRCKEAPT-DNVCBOLYSA-N 1 2 331.435 3.257 20 30 EGEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000411353489 457863576 /nfs/dbraw/zinc/86/35/76/457863576.db2.gz WRLFGVQAXJXWCG-GFCCVEGCSA-N 1 2 333.482 3.413 20 30 EGEDLO N#CCCn1cc(C[N@@H+]2CCC[C@@H]2c2ncon2)c(-c2ccccc2)n1 ZINC000371376768 457893942 /nfs/dbraw/zinc/89/39/42/457893942.db2.gz ZROPSZRZHZWRTA-QGZVFWFLSA-N 1 2 348.410 3.184 20 30 EGEDLO N#CCCn1cc(C[N@H+]2CCC[C@@H]2c2ncon2)c(-c2ccccc2)n1 ZINC000371376768 457893948 /nfs/dbraw/zinc/89/39/48/457893948.db2.gz ZROPSZRZHZWRTA-QGZVFWFLSA-N 1 2 348.410 3.184 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444702947 457949264 /nfs/dbraw/zinc/94/92/64/457949264.db2.gz YQSXSGSFZASUDR-LBPRGKRZSA-N 1 2 329.350 3.295 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444702947 457949271 /nfs/dbraw/zinc/94/92/71/457949271.db2.gz YQSXSGSFZASUDR-LBPRGKRZSA-N 1 2 329.350 3.295 20 30 EGEDLO Cc1ccc(F)c(C[N@@H+](C)[C@H](C)C(=O)NC2(C#N)CCCCC2)c1 ZINC000444730268 457957978 /nfs/dbraw/zinc/95/79/78/457957978.db2.gz DYNAZBBHSHIQLD-OAHLLOKOSA-N 1 2 331.435 3.297 20 30 EGEDLO Cc1ccc(F)c(C[N@H+](C)[C@H](C)C(=O)NC2(C#N)CCCCC2)c1 ZINC000444730268 457957985 /nfs/dbraw/zinc/95/79/85/457957985.db2.gz DYNAZBBHSHIQLD-OAHLLOKOSA-N 1 2 331.435 3.297 20 30 EGEDLO C=CCOc1ccccc1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000375525116 457961610 /nfs/dbraw/zinc/96/16/10/457961610.db2.gz KBDLUMMHTYIKBQ-OAHLLOKOSA-N 1 2 325.412 3.005 20 30 EGEDLO COC(=O)[C@H](C)[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1 ZINC000428393495 458133004 /nfs/dbraw/zinc/13/30/04/458133004.db2.gz YFCMWFUQMWJEKO-ACJLOTCBSA-N 1 2 326.371 3.337 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@H]1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000362591827 458287638 /nfs/dbraw/zinc/28/76/38/458287638.db2.gz RLBRXJNERJAALL-BMFZPTHFSA-N 1 2 349.500 3.295 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@H]1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000362591827 458287644 /nfs/dbraw/zinc/28/76/44/458287644.db2.gz RLBRXJNERJAALL-BMFZPTHFSA-N 1 2 349.500 3.295 20 30 EGEDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH+]1Cc1ccc(C#N)cc1F ZINC000429395862 458327769 /nfs/dbraw/zinc/32/77/69/458327769.db2.gz DHJDPMXWRKTUKE-ZIAGYGMSSA-N 1 2 331.435 3.165 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000376523680 458328095 /nfs/dbraw/zinc/32/80/95/458328095.db2.gz CFIGQCWMKSLATB-CZUORRHYSA-N 1 2 335.245 3.322 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000376523680 458328101 /nfs/dbraw/zinc/32/81/01/458328101.db2.gz CFIGQCWMKSLATB-CZUORRHYSA-N 1 2 335.245 3.322 20 30 EGEDLO CC(C)(C#N)C[NH2+]Cc1ccc(F)cc1I ZINC000418014321 458369835 /nfs/dbraw/zinc/36/98/35/458369835.db2.gz XVVSOISZYRIHCO-UHFFFAOYSA-N 1 2 332.160 3.070 20 30 EGEDLO CCc1[nH+]c2ccccc2n1C1CCN(c2cncc(C#N)n2)CC1 ZINC000420600904 458398406 /nfs/dbraw/zinc/39/84/06/458398406.db2.gz FXXVKGNNNQATOM-UHFFFAOYSA-N 1 2 332.411 3.102 20 30 EGEDLO C[C@@H]1CCC[C@@]1(C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000448577592 458402762 /nfs/dbraw/zinc/40/27/62/458402762.db2.gz JZDHEFUOIFCYQS-OXQOHEQNSA-N 1 2 325.456 3.029 20 30 EGEDLO C[C@@H]1C[C@]1(C#N)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000448953699 458417358 /nfs/dbraw/zinc/41/73/58/458417358.db2.gz ICVRVWRIPUMDKY-HNJNHCNJSA-N 1 2 349.837 3.109 20 30 EGEDLO C[C@@H]1C[C@]1(C#N)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000448953699 458417362 /nfs/dbraw/zinc/41/73/62/458417362.db2.gz ICVRVWRIPUMDKY-HNJNHCNJSA-N 1 2 349.837 3.109 20 30 EGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccnn2C2CCCC2)CC1 ZINC000448996631 458418222 /nfs/dbraw/zinc/41/82/22/458418222.db2.gz SSMAHBRSMFLSNF-NRFANRHFSA-N 1 2 349.482 3.381 20 30 EGEDLO COc1cc(F)cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c1 ZINC000448988728 458418559 /nfs/dbraw/zinc/41/85/59/458418559.db2.gz BUJQNAJTVQZCEI-HXUWFJFHSA-N 1 2 339.414 3.217 20 30 EGEDLO C=C(C)COc1cc(C[NH2+]Cc2nn(C)cc2Cl)ccc1OC ZINC000449482555 458424688 /nfs/dbraw/zinc/42/46/88/458424688.db2.gz YUZDAQNRPJRYOE-UHFFFAOYSA-N 1 2 335.835 3.327 20 30 EGEDLO CC(=O)c1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cc1 ZINC000450218012 458442589 /nfs/dbraw/zinc/44/25/89/458442589.db2.gz SAAVGXYOHPPZIX-UHFFFAOYSA-N 1 2 337.398 3.222 20 30 EGEDLO COC(=O)c1csc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC000450311121 458445030 /nfs/dbraw/zinc/44/50/30/458445030.db2.gz GTAQKFKEEXEQNN-UHFFFAOYSA-N 1 2 343.452 3.460 20 30 EGEDLO COC(=O)c1csc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC000450311121 458445034 /nfs/dbraw/zinc/44/50/34/458445034.db2.gz GTAQKFKEEXEQNN-UHFFFAOYSA-N 1 2 343.452 3.460 20 30 EGEDLO C=CCCCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000373503651 458512704 /nfs/dbraw/zinc/51/27/04/458512704.db2.gz AVDBFCRQBMWYBU-KRWDZBQOSA-N 1 2 342.443 3.174 20 30 EGEDLO C=CCn1cc(C[NH2+]Cc2cc(Cl)c(OC)cc2Cl)nn1 ZINC000424175836 458577369 /nfs/dbraw/zinc/57/73/69/458577369.db2.gz VPAFBFIFBDFOBR-UHFFFAOYSA-N 1 2 327.215 3.069 20 30 EGEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000438459410 458580202 /nfs/dbraw/zinc/58/02/02/458580202.db2.gz YCGZKQWCQYRFFW-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO N#CCc1ccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000431507002 458582074 /nfs/dbraw/zinc/58/20/74/458582074.db2.gz KFZMFIIMLRHZSK-UHFFFAOYSA-N 1 2 330.391 3.179 20 30 EGEDLO C[C@H]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000424548325 458658685 /nfs/dbraw/zinc/65/86/85/458658685.db2.gz UAELSQUHIHSQFP-QFBILLFUSA-N 1 2 325.456 3.029 20 30 EGEDLO C=CCC(C)(C)CNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000432115068 458683626 /nfs/dbraw/zinc/68/36/26/458683626.db2.gz WINNNLDJLQGARD-UHFFFAOYSA-N 1 2 330.476 3.473 20 30 EGEDLO C=CC[N@@H+](C)CC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000494639518 458715275 /nfs/dbraw/zinc/71/52/75/458715275.db2.gz VVVPUJOMWRTEFA-IBGZPJMESA-N 1 2 348.874 3.255 20 30 EGEDLO C=CC[N@H+](C)CC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000494639518 458715278 /nfs/dbraw/zinc/71/52/78/458715278.db2.gz VVVPUJOMWRTEFA-IBGZPJMESA-N 1 2 348.874 3.255 20 30 EGEDLO C[C@@](O)(C1CC[NH+](Cc2cc(F)ccc2C#N)CC1)C(F)(F)F ZINC000547345944 458723002 /nfs/dbraw/zinc/72/30/02/458723002.db2.gz XUYOLQCBXLSHOJ-OAHLLOKOSA-N 1 2 330.325 3.223 20 30 EGEDLO Cc1[nH+]c2cc(NC(=O)c3cccc(CC#N)c3)ccc2n1[C@H](C)CO ZINC000456723036 458764203 /nfs/dbraw/zinc/76/42/03/458764203.db2.gz REWLCYMSXOVJEE-CYBMUJFWSA-N 1 2 348.406 3.216 20 30 EGEDLO N#C[C@H]1C[N@@H+](Cc2cc(Cl)cs2)C[C@]12C(=O)Nc1ccccc12 ZINC000494934901 458767536 /nfs/dbraw/zinc/76/75/36/458767536.db2.gz XWAYKZAQUKVFMM-GTNSWQLSSA-N 1 2 343.839 3.247 20 30 EGEDLO N#C[C@H]1C[N@H+](Cc2cc(Cl)cs2)C[C@]12C(=O)Nc1ccccc12 ZINC000494934901 458767540 /nfs/dbraw/zinc/76/75/40/458767540.db2.gz XWAYKZAQUKVFMM-GTNSWQLSSA-N 1 2 343.839 3.247 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)Nc1cc(C)ccc1C)Cc1ccc(CO)o1 ZINC000512147054 458782014 /nfs/dbraw/zinc/78/20/14/458782014.db2.gz JGSHUBVGWQWROG-UHFFFAOYSA-N 1 2 342.439 3.406 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)Nc1cc(C)ccc1C)Cc1ccc(CO)o1 ZINC000512147054 458782020 /nfs/dbraw/zinc/78/20/20/458782020.db2.gz JGSHUBVGWQWROG-UHFFFAOYSA-N 1 2 342.439 3.406 20 30 EGEDLO C[C@@H]1CCCC[C@H]1OCCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000515122612 458805697 /nfs/dbraw/zinc/80/56/97/458805697.db2.gz LSKLMKCQUPRAOS-WIYYLYMNSA-N 1 2 341.499 3.271 20 30 EGEDLO C=CCC[C@@H](O)C[N@@H+](C)[C@@H](C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000472672033 458806517 /nfs/dbraw/zinc/80/65/17/458806517.db2.gz XYMROUASIPFRJX-IUODEOHRSA-N 1 2 346.254 3.466 20 30 EGEDLO C=CCC[C@@H](O)C[N@H+](C)[C@@H](C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000472672033 458806521 /nfs/dbraw/zinc/80/65/21/458806521.db2.gz XYMROUASIPFRJX-IUODEOHRSA-N 1 2 346.254 3.466 20 30 EGEDLO C[C@H](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000518193148 458847783 /nfs/dbraw/zinc/84/77/83/458847783.db2.gz VPUQTMRMBIUFLE-CYBMUJFWSA-N 1 2 335.329 3.021 20 30 EGEDLO C=CCOc1ccccc1C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000468046351 458998763 /nfs/dbraw/zinc/99/87/63/458998763.db2.gz CHHMPRCEZZFHGY-UHFFFAOYSA-N 1 2 336.395 3.446 20 30 EGEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)[NH+]1CCSCC1 ZINC000442494988 459011407 /nfs/dbraw/zinc/01/14/07/459011407.db2.gz MCDPHRDEFQMOIN-LBPRGKRZSA-N 1 2 344.933 3.353 20 30 EGEDLO CC1CC(C#N)(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)C1 ZINC000532073055 459025872 /nfs/dbraw/zinc/02/58/72/459025872.db2.gz LNNFLCKBWBRICD-UHFFFAOYSA-N 1 2 332.473 3.253 20 30 EGEDLO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1 ZINC000594511422 459070002 /nfs/dbraw/zinc/07/00/02/459070002.db2.gz NAJCBHIIRIVINC-IRXDYDNUSA-N 1 2 337.427 3.085 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](Cc2ccccn2)Cc2ccccc2C)C1=O ZINC000577735050 459085596 /nfs/dbraw/zinc/08/55/96/459085596.db2.gz UBAXTYSFZNGBAK-FQEVSTJZSA-N 1 2 335.451 3.179 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](Cc2ccccn2)Cc2ccccc2C)C1=O ZINC000577735050 459085602 /nfs/dbraw/zinc/08/56/02/459085602.db2.gz UBAXTYSFZNGBAK-FQEVSTJZSA-N 1 2 335.451 3.179 20 30 EGEDLO Cc1ccc(-n2c[nH+]c3c2CCN(c2nnc(C)c(C)c2C#N)C3)cc1 ZINC000557685020 459099181 /nfs/dbraw/zinc/09/91/81/459099181.db2.gz YPXANJZOBSCRFW-UHFFFAOYSA-N 1 2 344.422 3.022 20 30 EGEDLO CC1(C)C[N@H+](CC(=O)NC2(C#N)CCCCC2)[C@H]1c1cccs1 ZINC000558175614 459137057 /nfs/dbraw/zinc/13/70/57/459137057.db2.gz IELJVRFAXPGVTF-INIZCTEOSA-N 1 2 331.485 3.474 20 30 EGEDLO CC1(C)C[N@@H+](CC(=O)NC2(C#N)CCCCC2)[C@H]1c1cccs1 ZINC000558175614 459137061 /nfs/dbraw/zinc/13/70/61/459137061.db2.gz IELJVRFAXPGVTF-INIZCTEOSA-N 1 2 331.485 3.474 20 30 EGEDLO N#Cc1nc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)sc1Cl ZINC000590573355 459152411 /nfs/dbraw/zinc/15/24/11/459152411.db2.gz WGWKEHVHGDHXGV-AWEZNQCLSA-N 1 2 348.859 3.154 20 30 EGEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000532999971 459172894 /nfs/dbraw/zinc/17/28/94/459172894.db2.gz NKFRTXCLFKHRJI-UKRRQHHQSA-N 1 2 327.346 3.436 20 30 EGEDLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000532999971 459172898 /nfs/dbraw/zinc/17/28/98/459172898.db2.gz NKFRTXCLFKHRJI-UKRRQHHQSA-N 1 2 327.346 3.436 20 30 EGEDLO Cc1cccn2cc(CC(=O)N[C@H](CCC#N)c3ccccc3)[nH+]c12 ZINC000533051794 459182621 /nfs/dbraw/zinc/18/26/21/459182621.db2.gz YJKGFRHMWPLWHP-GOSISDBHSA-N 1 2 332.407 3.347 20 30 EGEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000578490232 459209194 /nfs/dbraw/zinc/20/91/94/459209194.db2.gz QRQDXCVHTRURSN-RHSMWYFYSA-N 1 2 337.427 3.382 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2cc3ccccc3n2CC#N)CC1(C)C ZINC000590768482 459210171 /nfs/dbraw/zinc/21/01/71/459210171.db2.gz STLYUCCSIDWKAR-KRWDZBQOSA-N 1 2 347.422 3.122 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000579424266 459246559 /nfs/dbraw/zinc/24/65/59/459246559.db2.gz ABZURNDXUSPUHX-INIZCTEOSA-N 1 2 348.859 3.037 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1 ZINC000580153907 459257138 /nfs/dbraw/zinc/25/71/38/459257138.db2.gz IQKINHABIXAQPK-IEBWSBKVSA-N 1 2 335.407 3.140 20 30 EGEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1 ZINC000580153907 459257142 /nfs/dbraw/zinc/25/71/42/459257142.db2.gz IQKINHABIXAQPK-IEBWSBKVSA-N 1 2 335.407 3.140 20 30 EGEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000590946358 459278924 /nfs/dbraw/zinc/27/89/24/459278924.db2.gz IFLCGVYQMLXDLI-WMLDXEAASA-N 1 2 337.427 3.381 20 30 EGEDLO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000591028157 459297871 /nfs/dbraw/zinc/29/78/71/459297871.db2.gz MKFTWPKQPMRERT-SFHVURJKSA-N 1 2 325.456 3.332 20 30 EGEDLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000591028157 459297876 /nfs/dbraw/zinc/29/78/76/459297876.db2.gz MKFTWPKQPMRERT-SFHVURJKSA-N 1 2 325.456 3.332 20 30 EGEDLO Cc1cc(N2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(C#N)c[nH+]1 ZINC000496740257 459307157 /nfs/dbraw/zinc/30/71/57/459307157.db2.gz LMWVGNOCMPRHKC-LJQANCHMSA-N 1 2 342.443 3.099 20 30 EGEDLO Cc1cc(N2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000496875133 459354651 /nfs/dbraw/zinc/35/46/51/459354651.db2.gz MBQZPJWZQBSADA-GOEBONIOSA-N 1 2 342.443 3.097 20 30 EGEDLO CC(C)(C)c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595617443 459369910 /nfs/dbraw/zinc/36/99/10/459369910.db2.gz ZTSCXEWGCGFHAF-MRXNPFEDSA-N 1 2 348.512 3.383 20 30 EGEDLO CC(C)(C)c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595617443 459369916 /nfs/dbraw/zinc/36/99/16/459369916.db2.gz ZTSCXEWGCGFHAF-MRXNPFEDSA-N 1 2 348.512 3.383 20 30 EGEDLO Cn1c(C[N@@H+]2CCC[C@@H](CC#N)C2)nc2ccc(Br)cc21 ZINC000595623135 459373569 /nfs/dbraw/zinc/37/35/69/459373569.db2.gz IRXTZBKRCDOPAP-LBPRGKRZSA-N 1 2 347.260 3.461 20 30 EGEDLO Cn1c(C[N@H+]2CCC[C@@H](CC#N)C2)nc2ccc(Br)cc21 ZINC000595623135 459373574 /nfs/dbraw/zinc/37/35/74/459373574.db2.gz IRXTZBKRCDOPAP-LBPRGKRZSA-N 1 2 347.260 3.461 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595702776 459404077 /nfs/dbraw/zinc/40/40/77/459404077.db2.gz KGVRBJWPZKOPGH-RHSMWYFYSA-N 1 2 329.419 3.304 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595702776 459404083 /nfs/dbraw/zinc/40/40/83/459404083.db2.gz KGVRBJWPZKOPGH-RHSMWYFYSA-N 1 2 329.419 3.304 20 30 EGEDLO C[C@@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000582730181 459418550 /nfs/dbraw/zinc/41/85/50/459418550.db2.gz KFRWMSZQDYZPSV-LRDDRELGSA-N 1 2 341.377 3.159 20 30 EGEDLO CC(C)(C#N)[NH+]1CCC([C@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 ZINC000497073892 459428584 /nfs/dbraw/zinc/42/85/84/459428584.db2.gz QSKNAQUORONYJD-QZTJIDSGSA-N 1 2 341.455 3.315 20 30 EGEDLO Cc1cc(N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000497211936 459488991 /nfs/dbraw/zinc/48/89/91/459488991.db2.gz FGGWZQHZAMMWAR-LSDHHAIUSA-N 1 2 344.459 3.391 20 30 EGEDLO Cc1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)cc1Cl ZINC000562387073 459551678 /nfs/dbraw/zinc/55/16/78/459551678.db2.gz GSMIARRINLIYPC-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000570462810 459556695 /nfs/dbraw/zinc/55/66/95/459556695.db2.gz WUMTUJYSISKLTI-UONOGXRCSA-N 1 2 330.457 3.159 20 30 EGEDLO CC#CCCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000542738998 459586256 /nfs/dbraw/zinc/58/62/56/459586256.db2.gz VOTGGHKAQKRLSU-MRXNPFEDSA-N 1 2 349.272 3.116 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000527256167 459617193 /nfs/dbraw/zinc/61/71/93/459617193.db2.gz CXCWBHHOEYLXID-MRXNPFEDSA-N 1 2 341.377 3.351 20 30 EGEDLO C#CC[N@H+](Cc1ccc(-c2ccsc2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000491495756 459631383 /nfs/dbraw/zinc/63/13/83/459631383.db2.gz LRDCLTMQGLCNOR-SFHVURJKSA-N 1 2 345.489 3.037 20 30 EGEDLO C#CC[N@@H+](Cc1ccc(-c2ccsc2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000491495756 459631388 /nfs/dbraw/zinc/63/13/88/459631388.db2.gz LRDCLTMQGLCNOR-SFHVURJKSA-N 1 2 345.489 3.037 20 30 EGEDLO C#C[C@@H](NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000491672287 459651564 /nfs/dbraw/zinc/65/15/64/459651564.db2.gz RPPVCQJFQMCIGS-LJQANCHMSA-N 1 2 348.381 3.185 20 30 EGEDLO C#CCN(Cc1ccc(F)cc1)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000491739134 459664672 /nfs/dbraw/zinc/66/46/72/459664672.db2.gz XBVWENALCWAVEY-UHFFFAOYSA-N 1 2 325.387 3.183 20 30 EGEDLO C=CCOc1ccc(/C=C\C(=O)N[C@H](CC)c2[nH]cc[nH+]2)cc1OC ZINC000492620312 459713839 /nfs/dbraw/zinc/71/38/39/459713839.db2.gz JINYGCBGRODQCN-SOIVGHGOSA-N 1 2 341.411 3.264 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\c1ccc(-c2ccccc2F)o1 ZINC000493101448 459733357 /nfs/dbraw/zinc/73/33/57/459733357.db2.gz CNUJZFJXAOPWBO-JQYPEGPJSA-N 1 2 341.386 3.059 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000493271339 459739794 /nfs/dbraw/zinc/73/97/94/459739794.db2.gz WYRLQYXCVDVARZ-CQSZACIVSA-N 1 2 347.434 3.434 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000493271339 459739799 /nfs/dbraw/zinc/73/97/99/459739799.db2.gz WYRLQYXCVDVARZ-CQSZACIVSA-N 1 2 347.434 3.434 20 30 EGEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000596981403 459809660 /nfs/dbraw/zinc/80/96/60/459809660.db2.gz OFICBWNITMFVGC-QZTJIDSGSA-N 1 2 336.439 3.080 20 30 EGEDLO COc1cccc(Oc2ncccc2C[NH2+]C[C@@H](C#N)CCC#N)c1 ZINC000574446079 459820044 /nfs/dbraw/zinc/82/00/44/459820044.db2.gz ZWXXIECORAVFGA-OAHLLOKOSA-N 1 2 336.395 3.416 20 30 EGEDLO N#CC1(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CCC1 ZINC000529498414 459830306 /nfs/dbraw/zinc/83/03/06/459830306.db2.gz WKODQJOZASJXFJ-MRXNPFEDSA-N 1 2 331.847 3.114 20 30 EGEDLO N#CC1(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CCC1 ZINC000529498414 459830311 /nfs/dbraw/zinc/83/03/11/459830311.db2.gz WKODQJOZASJXFJ-MRXNPFEDSA-N 1 2 331.847 3.114 20 30 EGEDLO CCOc1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)cc1F ZINC000597182961 459866238 /nfs/dbraw/zinc/86/62/38/459866238.db2.gz GOXHGGNVRTUGEA-UHFFFAOYSA-N 1 2 345.443 3.480 20 30 EGEDLO CC[C@@H](C#N)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000593462513 459896585 /nfs/dbraw/zinc/89/65/85/459896585.db2.gz VLUWUBYVFUMJLE-WFASDCNBSA-N 1 2 337.826 3.109 20 30 EGEDLO CC[C@@H](C#N)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000593462513 459896589 /nfs/dbraw/zinc/89/65/89/459896589.db2.gz VLUWUBYVFUMJLE-WFASDCNBSA-N 1 2 337.826 3.109 20 30 EGEDLO CC[C@H](C#N)C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000593463453 459896681 /nfs/dbraw/zinc/89/66/81/459896681.db2.gz VXIJUSUQAPDZSF-CQSZACIVSA-N 1 2 328.441 3.263 20 30 EGEDLO CC[C@H](C#N)C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000593463453 459896684 /nfs/dbraw/zinc/89/66/84/459896684.db2.gz VXIJUSUQAPDZSF-CQSZACIVSA-N 1 2 328.441 3.263 20 30 EGEDLO CC[C@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000609160582 459914925 /nfs/dbraw/zinc/91/49/25/459914925.db2.gz YREAEQYNIOCRQK-LJQANCHMSA-N 1 2 327.472 3.275 20 30 EGEDLO N#Cc1cc(Br)ccc1CN1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000588200527 459931492 /nfs/dbraw/zinc/93/14/92/459931492.db2.gz JXTADLBJUABLDX-MRXNPFEDSA-N 1 2 345.244 3.354 20 30 EGEDLO COC(=O)[C@H](c1cc(F)c(F)c(F)c1)[N@H+](C)C[C@@H](C)CCC#N ZINC000602482688 459962166 /nfs/dbraw/zinc/96/21/66/459962166.db2.gz PYFKJLHPGVOEGW-BONVTDFDSA-N 1 2 328.334 3.190 20 30 EGEDLO COC(=O)[C@H](c1cc(F)c(F)c(F)c1)[N@@H+](C)C[C@@H](C)CCC#N ZINC000602482688 459962171 /nfs/dbraw/zinc/96/21/71/459962171.db2.gz PYFKJLHPGVOEGW-BONVTDFDSA-N 1 2 328.334 3.190 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC(C)(C)CC[C@H]2CO)c1C#N ZINC000598646293 459975512 /nfs/dbraw/zinc/97/55/12/459975512.db2.gz FBVSFDUNSIUTKK-KRWDZBQOSA-N 1 2 338.455 3.035 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC(C)(C)CC[C@H]2CO)c1C#N ZINC000598646293 459975517 /nfs/dbraw/zinc/97/55/17/459975517.db2.gz FBVSFDUNSIUTKK-KRWDZBQOSA-N 1 2 338.455 3.035 20 30 EGEDLO C=CCCn1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)nn1 ZINC000593948771 460023356 /nfs/dbraw/zinc/02/33/56/460023356.db2.gz PLIZJYPUDYTPLZ-UHFFFAOYSA-N 1 2 329.404 3.173 20 30 EGEDLO C=CCCn1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)nn1 ZINC000593948771 460023362 /nfs/dbraw/zinc/02/33/62/460023362.db2.gz PLIZJYPUDYTPLZ-UHFFFAOYSA-N 1 2 329.404 3.173 20 30 EGEDLO Cc1csc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1C#N ZINC000594107357 460104242 /nfs/dbraw/zinc/10/42/42/460104242.db2.gz IJMHPHZIEUYOHH-FZMZJTMJSA-N 1 2 329.429 3.240 20 30 EGEDLO C=CCCSCCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000597969560 460129386 /nfs/dbraw/zinc/12/93/86/460129386.db2.gz BXVOGBKFDRAZOX-INIZCTEOSA-N 1 2 329.469 3.357 20 30 EGEDLO Cc1ncc([C@H](C)[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c(C)n1 ZINC000614461704 460148141 /nfs/dbraw/zinc/14/81/41/460148141.db2.gz HHQGGGKEVMYXIW-OXJNMPFZSA-N 1 2 335.455 3.037 20 30 EGEDLO Cc1cccn2cc(CNC(=O)[C@@H](C)Cc3ccc(C#N)cc3)[nH+]c12 ZINC000594285735 460181401 /nfs/dbraw/zinc/18/14/01/460181401.db2.gz AXRDLDYLLYNIKG-HNNXBMFYSA-N 1 2 332.407 3.009 20 30 EGEDLO COC(=O)[C@H]([NH2+]C[C@H]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000610580332 460188819 /nfs/dbraw/zinc/18/88/19/460188819.db2.gz MWHGKUSEDULLQW-OXJNMPFZSA-N 1 2 334.419 3.167 20 30 EGEDLO C[C@@H]1CCN(C(=O)N[C@H]2CCc3cc(C#N)ccc32)C[C@@H]1n1cc[nH+]c1 ZINC000618848633 460196321 /nfs/dbraw/zinc/19/63/21/460196321.db2.gz KTESUAGKSXCRPV-CCKFTAQKSA-N 1 2 349.438 3.035 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCOC[C@H]1C ZINC000610990791 460272885 /nfs/dbraw/zinc/27/28/85/460272885.db2.gz NCSAYTAUNSZNGC-HUUCEWRRSA-N 1 2 347.484 3.130 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCOC[C@H]1C ZINC000610990791 460272888 /nfs/dbraw/zinc/27/28/88/460272888.db2.gz NCSAYTAUNSZNGC-HUUCEWRRSA-N 1 2 347.484 3.130 20 30 EGEDLO COc1cc(C)[nH+]c(Cn2cc(CC3(C#N)CCCCC3)nn2)c1 ZINC000603252066 460273049 /nfs/dbraw/zinc/27/30/49/460273049.db2.gz UMOLWINHWXJPPO-UHFFFAOYSA-N 1 2 325.416 3.055 20 30 EGEDLO COCCOCc1cc(C#N)ccc1NCCc1ccc(C)[nH+]c1 ZINC000603305688 460281067 /nfs/dbraw/zinc/28/10/67/460281067.db2.gz UYOOXQXVZNHMHI-UHFFFAOYSA-N 1 2 325.412 3.079 20 30 EGEDLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000611052231 460284247 /nfs/dbraw/zinc/28/42/47/460284247.db2.gz HGXAZYJSJBVBHZ-OAHLLOKOSA-N 1 2 326.425 3.105 20 30 EGEDLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000611052231 460284251 /nfs/dbraw/zinc/28/42/51/460284251.db2.gz HGXAZYJSJBVBHZ-OAHLLOKOSA-N 1 2 326.425 3.105 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)C2)c(C#N)c1C ZINC000611177032 460300815 /nfs/dbraw/zinc/30/08/15/460300815.db2.gz BDEIGKAFIVSLOB-JTQLQIEISA-N 1 2 331.363 3.059 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C2)c(C#N)c1C ZINC000611177032 460300802 /nfs/dbraw/zinc/30/08/02/460300802.db2.gz BDEIGKAFIVSLOB-JTQLQIEISA-N 1 2 331.363 3.059 20 30 EGEDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)Cc2ccccc21 ZINC000599684293 460310289 /nfs/dbraw/zinc/31/02/89/460310289.db2.gz VVVNXJBTNXNZBY-QGZVFWFLSA-N 1 2 340.810 3.484 20 30 EGEDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)Cc2ccccc21 ZINC000599684293 460310291 /nfs/dbraw/zinc/31/02/91/460310291.db2.gz VVVNXJBTNXNZBY-QGZVFWFLSA-N 1 2 340.810 3.484 20 30 EGEDLO COc1ccc(C)cc1C[NH+]1CCN(Cc2cc(C#N)cs2)CC1 ZINC000611252939 460317576 /nfs/dbraw/zinc/31/75/76/460317576.db2.gz JEFGHDSGQPYWQE-UHFFFAOYSA-N 1 2 341.480 3.255 20 30 EGEDLO COc1ccc(C)cc1CN1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000611252939 460317581 /nfs/dbraw/zinc/31/75/81/460317581.db2.gz JEFGHDSGQPYWQE-UHFFFAOYSA-N 1 2 341.480 3.255 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)CCCOC(C)C)c1C#N ZINC000611347644 460341886 /nfs/dbraw/zinc/34/18/86/460341886.db2.gz CCTBWDFAYOFWKW-UHFFFAOYSA-N 1 2 326.444 3.299 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)CCCOC(C)C)c1C#N ZINC000611347644 460341892 /nfs/dbraw/zinc/34/18/92/460341892.db2.gz CCTBWDFAYOFWKW-UHFFFAOYSA-N 1 2 326.444 3.299 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1n[nH]cc1Br ZINC000611393562 460353341 /nfs/dbraw/zinc/35/33/41/460353341.db2.gz XCSLMQYOLKINGX-CQSZACIVSA-N 1 2 331.217 3.211 20 30 EGEDLO COc1cc(OC)c(C2CC[NH+](CC3(C#N)CC3)CC2)c(OC)c1 ZINC000611429145 460363113 /nfs/dbraw/zinc/36/31/13/460363113.db2.gz RCARSPZUHCMRCH-UHFFFAOYSA-N 1 2 330.428 3.196 20 30 EGEDLO C[C@@]1(C#N)CCC[N@@H+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000615798502 460393376 /nfs/dbraw/zinc/39/33/76/460393376.db2.gz AXSPVZWWWDBTHG-HKUYNNGSSA-N 1 2 347.409 3.081 20 30 EGEDLO C[C@@]1(C#N)CCC[N@H+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000615798502 460393379 /nfs/dbraw/zinc/39/33/79/460393379.db2.gz AXSPVZWWWDBTHG-HKUYNNGSSA-N 1 2 347.409 3.081 20 30 EGEDLO Cc1nnc(N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)c(C#N)c1C ZINC000601186932 460743100 /nfs/dbraw/zinc/74/31/00/460743100.db2.gz HDEJBHRYQJODIP-UHFFFAOYSA-N 1 2 346.438 3.301 20 30 EGEDLO N#Cc1ccc(/C=C\c2nc([C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000612991185 460796207 /nfs/dbraw/zinc/79/62/07/460796207.db2.gz DBOBYRSNWNLTKM-DSPBCKRPSA-N 1 2 336.395 3.037 20 30 EGEDLO N#Cc1ccc(/C=C\c2nc([C@@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000612991185 460796211 /nfs/dbraw/zinc/79/62/11/460796211.db2.gz DBOBYRSNWNLTKM-DSPBCKRPSA-N 1 2 336.395 3.037 20 30 EGEDLO CCc1c[nH]c(CC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)[nH+]1 ZINC000602094053 461008604 /nfs/dbraw/zinc/00/86/04/461008604.db2.gz BQQJOWYBXFORTC-LBPRGKRZSA-N 1 2 337.210 3.202 20 30 EGEDLO C=CC[N@@H+]([C@H](C)c1cc(C)c(OC)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000637963333 461158003 /nfs/dbraw/zinc/15/80/03/461158003.db2.gz XIUWOFBBRILNTO-CVEARBPZSA-N 1 2 337.485 3.048 20 30 EGEDLO C=CC[N@H+]([C@H](C)c1cc(C)c(OC)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000637963333 461158007 /nfs/dbraw/zinc/15/80/07/461158007.db2.gz XIUWOFBBRILNTO-CVEARBPZSA-N 1 2 337.485 3.048 20 30 EGEDLO C=CCC1(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCCC1 ZINC000652474490 461215364 /nfs/dbraw/zinc/21/53/64/461215364.db2.gz ZXIQROZWJKMYEZ-INIZCTEOSA-N 1 2 328.460 3.096 20 30 EGEDLO C=CC(C)(C)CNC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000653091361 461496527 /nfs/dbraw/zinc/49/65/27/461496527.db2.gz SSYXOBJLWVBABQ-UHFFFAOYSA-N 1 2 345.487 3.043 20 30 EGEDLO C=CCCn1cc(C[N@@H+](C)Cc2ccc(SC)c(OC)c2)nn1 ZINC000653525377 461699817 /nfs/dbraw/zinc/69/98/17/461699817.db2.gz OYHZIAZACLUNGS-UHFFFAOYSA-N 1 2 332.473 3.217 20 30 EGEDLO C=CCCn1cc(C[N@H+](C)Cc2ccc(SC)c(OC)c2)nn1 ZINC000653525377 461699825 /nfs/dbraw/zinc/69/98/25/461699825.db2.gz OYHZIAZACLUNGS-UHFFFAOYSA-N 1 2 332.473 3.217 20 30 EGEDLO C=CCCn1cc(C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)nn1 ZINC000653649802 461783460 /nfs/dbraw/zinc/78/34/60/461783460.db2.gz ZNUYXGQVUCHMKB-UHFFFAOYSA-N 1 2 342.418 3.088 20 30 EGEDLO C=CCCn1cc(C[NH+]2CCC(Cc3nc(CC)cs3)CC2)nn1 ZINC000653804604 461867639 /nfs/dbraw/zinc/86/76/39/461867639.db2.gz UXKJTEUQNLKEOY-UHFFFAOYSA-N 1 2 345.516 3.328 20 30 EGEDLO C=CCCn1cc(C[NH2+][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)nn1 ZINC000657336833 462055995 /nfs/dbraw/zinc/05/59/95/462055995.db2.gz YBTLRESVZMIPAK-ZWKOTPCHSA-N 1 2 330.407 3.003 20 30 EGEDLO C=CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2)n1C)[C@H](C)COC ZINC000661239903 462166138 /nfs/dbraw/zinc/16/61/38/462166138.db2.gz JYANTXARSCQSHZ-CYBMUJFWSA-N 1 2 334.851 3.158 20 30 EGEDLO C=CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2)n1C)[C@H](C)COC ZINC000661239903 462166143 /nfs/dbraw/zinc/16/61/43/462166143.db2.gz JYANTXARSCQSHZ-CYBMUJFWSA-N 1 2 334.851 3.158 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1cc(C)c(Cl)cc1OC)[C@H](C)COC ZINC000661243431 462167354 /nfs/dbraw/zinc/16/73/54/462167354.db2.gz KAQHGNMEAUDOFR-CYBMUJFWSA-N 1 2 340.851 3.118 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)c(Cl)cc1OC)[C@H](C)COC ZINC000661243431 462167359 /nfs/dbraw/zinc/16/73/59/462167359.db2.gz KAQHGNMEAUDOFR-CYBMUJFWSA-N 1 2 340.851 3.118 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1cc(C)c(Cl)cc1OC)[C@@H](C)COC ZINC000661243432 462167767 /nfs/dbraw/zinc/16/77/67/462167767.db2.gz KAQHGNMEAUDOFR-ZDUSSCGKSA-N 1 2 340.851 3.118 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)c(Cl)cc1OC)[C@@H](C)COC ZINC000661243432 462167772 /nfs/dbraw/zinc/16/77/72/462167772.db2.gz KAQHGNMEAUDOFR-ZDUSSCGKSA-N 1 2 340.851 3.118 20 30 EGEDLO C=CCCNC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000661571541 462314037 /nfs/dbraw/zinc/31/40/37/462314037.db2.gz HHPMUEDVYNPIGT-UHFFFAOYSA-N 1 2 341.377 3.109 20 30 EGEDLO C=C(C)[C@H]([NH2+]Cc1cn(C)nc1C(=O)OCC)c1ccc(F)c(F)c1 ZINC000187444340 526820796 /nfs/dbraw/zinc/82/07/96/526820796.db2.gz KHPVUQFSOMEFFW-INIZCTEOSA-N 1 2 349.381 3.282 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000158440105 526885285 /nfs/dbraw/zinc/88/52/85/526885285.db2.gz LYUGXBHIHONZDP-LBPRGKRZSA-N 1 2 348.830 3.053 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000186837087 527527032 /nfs/dbraw/zinc/52/70/32/527527032.db2.gz AJJIRXIYAYIMEI-QAPCUYQASA-N 1 2 336.501 3.182 20 30 EGEDLO COc1ccc(C#N)cc1C[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000178911410 536644484 /nfs/dbraw/zinc/64/44/84/536644484.db2.gz KTXBDTRRYWHDBB-IBGZPJMESA-N 1 2 326.371 3.279 20 30 EGEDLO COc1ccc(C#N)cc1C[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000178911410 536644489 /nfs/dbraw/zinc/64/44/89/536644489.db2.gz KTXBDTRRYWHDBB-IBGZPJMESA-N 1 2 326.371 3.279 20 30 EGEDLO C[C@H]1C[C@@H](C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CCC1=O ZINC000328929313 547487551 /nfs/dbraw/zinc/48/75/51/547487551.db2.gz YNBCNKCWBKVPHE-HOCLYGCPSA-N 1 2 330.428 3.112 20 30 EGEDLO C[C@@H]1CN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CC(C)(C)C1 ZINC000329492897 547499007 /nfs/dbraw/zinc/49/90/07/547499007.db2.gz UDJMEOWNOAAKHJ-HOCLYGCPSA-N 1 2 348.491 3.170 20 30 EGEDLO CC[C@H]1OCCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000330299463 547518655 /nfs/dbraw/zinc/51/86/55/547518655.db2.gz IAGCFQPLGHZLJA-QZTJIDSGSA-N 1 2 332.444 3.312 20 30 EGEDLO C=CCOc1ccccc1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673724953 548605754 /nfs/dbraw/zinc/60/57/54/548605754.db2.gz LKCMKQZDHCVTRK-UHFFFAOYSA-N 1 2 335.407 3.180 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000680993408 549939565 /nfs/dbraw/zinc/93/95/65/549939565.db2.gz GVDZFSHIWBUNKP-QGZVFWFLSA-N 1 2 330.472 3.250 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000680999566 549940224 /nfs/dbraw/zinc/94/02/24/549940224.db2.gz IREXMYCLQQYJFP-JKSUJKDBSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000680999566 549940225 /nfs/dbraw/zinc/94/02/25/549940225.db2.gz IREXMYCLQQYJFP-JKSUJKDBSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1nn(C)c2ccccc12 ZINC000685442342 550417337 /nfs/dbraw/zinc/41/73/37/550417337.db2.gz ICMBNJFFYPIBEH-UHFFFAOYSA-N 1 2 325.412 3.237 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1nn(C)c2ccccc12 ZINC000685442342 550417338 /nfs/dbraw/zinc/41/73/38/550417338.db2.gz ICMBNJFFYPIBEH-UHFFFAOYSA-N 1 2 325.412 3.237 20 30 EGEDLO C#Cc1cccc(NC(=S)NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000726488425 574559152 /nfs/dbraw/zinc/55/91/52/574559152.db2.gz VBTPOYZRUARBNL-UHFFFAOYSA-N 1 2 325.437 3.175 20 30 EGEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cnc(-c2ccccc2)s1 ZINC000729812328 574886383 /nfs/dbraw/zinc/88/63/83/574886383.db2.gz SCIFQSZYKKDQFW-OAHLLOKOSA-N 1 2 326.421 3.065 20 30 EGEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cnc(-c2ccccc2)s1 ZINC000729812328 574886384 /nfs/dbraw/zinc/88/63/84/574886384.db2.gz SCIFQSZYKKDQFW-OAHLLOKOSA-N 1 2 326.421 3.065 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 ZINC000730274943 574965064 /nfs/dbraw/zinc/96/50/64/574965064.db2.gz UJOPMJJZQJECDB-IBGZPJMESA-N 1 2 344.418 3.037 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 ZINC000730274943 574965067 /nfs/dbraw/zinc/96/50/67/574965067.db2.gz UJOPMJJZQJECDB-IBGZPJMESA-N 1 2 344.418 3.037 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(F)cc2)cn1 ZINC000730285571 574966090 /nfs/dbraw/zinc/96/60/90/574966090.db2.gz XWSBYZYNEIFCAL-KRWDZBQOSA-N 1 2 339.370 3.049 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(F)cc2)cn1 ZINC000730285571 574966093 /nfs/dbraw/zinc/96/60/93/574966093.db2.gz XWSBYZYNEIFCAL-KRWDZBQOSA-N 1 2 339.370 3.049 20 30 EGEDLO Cc1[nH+]c(CN=Nc2ccc(Br)nc2)c2ccccn12 ZINC000732711558 575283802 /nfs/dbraw/zinc/28/38/02/575283802.db2.gz CXQSBRUVMMOULN-UHFFFAOYSA-N 1 2 330.189 3.246 20 30 EGEDLO CN(CCC#N)c1ccc(C=[NH+]Nc2cnnc3ccccc32)cc1 ZINC000733748118 575387828 /nfs/dbraw/zinc/38/78/28/575387828.db2.gz HYUWWNYMPKUPGA-UHFFFAOYSA-N 1 2 330.395 3.426 20 30 EGEDLO C=CCN(C(=O)Nc1ccccc1OCCn1cc[nH+]c1)C(C)C ZINC000740454176 576584098 /nfs/dbraw/zinc/58/40/98/576584098.db2.gz OYZFTFBDIQZDIF-UHFFFAOYSA-N 1 2 328.416 3.390 20 30 EGEDLO CCOC(=O)Cc1ccc(C(=O)/C=C\c2c[nH+]c3ccccn23)cc1 ZINC000740765075 576624137 /nfs/dbraw/zinc/62/41/37/576624137.db2.gz OVCBJAWBFNNHDO-KHPPLWFESA-N 1 2 334.375 3.336 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccc(F)c2)c1=S ZINC000742173558 576755107 /nfs/dbraw/zinc/75/51/07/576755107.db2.gz RBQNFCPAFTYIBG-IUODEOHRSA-N 1 2 333.436 3.175 20 30 EGEDLO C=CCn1nnn(C[N@H+]2C[C@H](C)C[C@@H]2c2cccc(F)c2)c1=S ZINC000742173558 576755109 /nfs/dbraw/zinc/75/51/09/576755109.db2.gz RBQNFCPAFTYIBG-IUODEOHRSA-N 1 2 333.436 3.175 20 30 EGEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(-c3ccc(CC)cc3)o2)CC1 ZINC000742607734 576791741 /nfs/dbraw/zinc/79/17/41/576791741.db2.gz SKNNVPSRLOMRBE-UHFFFAOYSA-N 1 2 336.435 3.290 20 30 EGEDLO C#CCN(Cc1ccc(F)cc1)C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000743678128 576814466 /nfs/dbraw/zinc/81/44/66/576814466.db2.gz CZHBXKCIOSOQJT-UHFFFAOYSA-N 1 2 335.382 3.146 20 30 EGEDLO C#CC1CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000831589133 1292890728 /nfs/dbraw/zinc/89/07/28/1292890728.db2.gz WRQVHCOBGRZJJG-UHFFFAOYSA-N 1 2 346.434 3.479 20 30 EGEDLO C#CCOc1ccc(Br)cc1C[NH2+]Cc1ncccc1F ZINC000126308868 1293530703 /nfs/dbraw/zinc/53/07/03/1293530703.db2.gz NHQJMVBVSUBBMP-UHFFFAOYSA-N 1 2 349.203 3.285 20 30 EGEDLO Cc1cc(C(N)=[NH+]OCc2nc(C(F)(F)F)cs2)ccc1F ZINC000154265037 1294048690 /nfs/dbraw/zinc/04/86/90/1294048690.db2.gz WYVWASOTCMGAEX-UHFFFAOYSA-N 1 2 333.310 3.447 20 30 EGEDLO C=CCn1c2ccccc2n(C[NH+]2CCC(OC(C)=O)CC2)c1=S ZINC000156827079 1294160657 /nfs/dbraw/zinc/16/06/57/1294160657.db2.gz RHIWCAWXSUBLAE-UHFFFAOYSA-N 1 2 345.468 3.343 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCC(=O)c2ccc(C)cc2)c1 ZINC000158723019 1294212876 /nfs/dbraw/zinc/21/28/76/1294212876.db2.gz UTLDALSSQJTWNA-UHFFFAOYSA-N 1 2 334.419 3.120 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCC(=O)c2ccc(C)cc2)c1 ZINC000158723019 1294212880 /nfs/dbraw/zinc/21/28/80/1294212880.db2.gz UTLDALSSQJTWNA-UHFFFAOYSA-N 1 2 334.419 3.120 20 30 EGEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000174195853 1294485504 /nfs/dbraw/zinc/48/55/04/1294485504.db2.gz SVNRNUVESDXMQM-UHFFFAOYSA-N 1 2 348.450 3.023 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000177339925 1294665906 /nfs/dbraw/zinc/66/59/06/1294665906.db2.gz NXWMLBYQWWUTSH-MRXNPFEDSA-N 1 2 333.407 3.139 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000177339925 1294665914 /nfs/dbraw/zinc/66/59/14/1294665914.db2.gz NXWMLBYQWWUTSH-MRXNPFEDSA-N 1 2 333.407 3.139 20 30 EGEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000191128571 1295650616 /nfs/dbraw/zinc/65/06/16/1295650616.db2.gz JAGVKNKXKAWNMJ-UHFFFAOYSA-N 1 2 330.400 3.074 20 30 EGEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000191128571 1295650632 /nfs/dbraw/zinc/65/06/32/1295650632.db2.gz JAGVKNKXKAWNMJ-UHFFFAOYSA-N 1 2 330.400 3.074 20 30 EGEDLO C=C(Br)C[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000309538420 1297073565 /nfs/dbraw/zinc/07/35/65/1297073565.db2.gz FSGJHJZSLYUANN-UHFFFAOYSA-N 1 2 345.038 3.095 20 30 EGEDLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)NCCCCC#N)CC1 ZINC000872876123 1297150707 /nfs/dbraw/zinc/15/07/07/1297150707.db2.gz NEGSXJDNQOPBGO-SFHVURJKSA-N 1 2 346.450 3.298 20 30 EGEDLO C=CCOc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)cc1 ZINC000874893812 1298152193 /nfs/dbraw/zinc/15/21/93/1298152193.db2.gz MJKPODICEXKFMT-LJQANCHMSA-N 1 2 340.398 3.177 20 30 EGEDLO C=CCC1(O)CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000717450500 1298302581 /nfs/dbraw/zinc/30/25/81/1298302581.db2.gz XBOMFXUVKTUPMF-UHFFFAOYSA-N 1 2 328.225 3.491 20 30 EGEDLO C[C@H](CC1(C#N)CCOCC1)[NH2+]c1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000876866812 1299042412 /nfs/dbraw/zinc/04/24/12/1299042412.db2.gz XQYSCMXFWJVCBC-SJORKVTESA-N 1 2 343.471 3.423 20 30 EGEDLO C=C(C)[C@H](CC(=O)Nc1nc(C[NH+](CC)CC)cs1)OCC ZINC000755628916 1300369834 /nfs/dbraw/zinc/36/98/34/1300369834.db2.gz YGRARWAFUONXRJ-AWEZNQCLSA-N 1 2 325.478 3.295 20 30 EGEDLO N#Cc1cc(F)c(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)c(F)c1 ZINC000756597818 1300529594 /nfs/dbraw/zinc/52/95/94/1300529594.db2.gz YAQBTJNLMNRLFC-UHFFFAOYSA-N 1 2 339.301 3.379 20 30 EGEDLO Cc1ccn(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)c(=O)c1C#N ZINC000758219278 1300819643 /nfs/dbraw/zinc/81/96/43/1300819643.db2.gz GDXZFBQQXZXUPF-UHFFFAOYSA-N 1 2 343.377 3.144 20 30 EGEDLO C=CCCC(=O)COC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000761404687 1301455619 /nfs/dbraw/zinc/45/56/19/1301455619.db2.gz SFUBBZKWUJYCKP-KRWDZBQOSA-N 1 2 343.467 3.408 20 30 EGEDLO N#CCOc1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000761758728 1301536067 /nfs/dbraw/zinc/53/60/67/1301536067.db2.gz JCZIPUYHNCVNPA-FQEVSTJZSA-N 1 2 333.391 3.034 20 30 EGEDLO N#CCOc1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000761758728 1301536070 /nfs/dbraw/zinc/53/60/70/1301536070.db2.gz JCZIPUYHNCVNPA-FQEVSTJZSA-N 1 2 333.391 3.034 20 30 EGEDLO CN(C)c1cc(COc2ccc(Br)cc2C#N)cc[nH+]1 ZINC000762482005 1301688120 /nfs/dbraw/zinc/68/81/20/1301688120.db2.gz XOTFWWQPCPIFMK-UHFFFAOYSA-N 1 2 332.201 3.361 20 30 EGEDLO C#CC[N@@H+](CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000763960648 1301990127 /nfs/dbraw/zinc/99/01/27/1301990127.db2.gz SDTYZFSVBKHWTB-UHFFFAOYSA-N 1 2 325.239 3.049 20 30 EGEDLO C#CC[N@H+](CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000763960648 1301990132 /nfs/dbraw/zinc/99/01/32/1301990132.db2.gz SDTYZFSVBKHWTB-UHFFFAOYSA-N 1 2 325.239 3.049 20 30 EGEDLO Cc1c[nH+]c(CCNc2ncc(C#N)cc2Br)c(C)c1 ZINC000882543054 1302010553 /nfs/dbraw/zinc/01/05/53/1302010553.db2.gz FMNYGHWGKOVWNF-UHFFFAOYSA-N 1 2 331.217 3.382 20 30 EGEDLO C#CCN(CC)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000764512554 1302077946 /nfs/dbraw/zinc/07/79/46/1302077946.db2.gz BXWWSLQYHCWONB-MRXNPFEDSA-N 1 2 349.272 3.068 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2CCC[C@@H]2C(C)C)c1=S ZINC000764913223 1302164699 /nfs/dbraw/zinc/16/46/99/1302164699.db2.gz BVWMKFVXSBEVCX-OAHLLOKOSA-N 1 2 344.488 3.135 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2CCC[C@@H]2C(C)C)c1=S ZINC000764913223 1302164707 /nfs/dbraw/zinc/16/47/07/1302164707.db2.gz BVWMKFVXSBEVCX-OAHLLOKOSA-N 1 2 344.488 3.135 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2C[C@@H](C)C[C@H]2C)c1=S ZINC000765029403 1302186673 /nfs/dbraw/zinc/18/66/73/1302186673.db2.gz MMYITGCQMLFTMP-UONOGXRCSA-N 1 2 329.473 3.350 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2C[C@@H](C)C[C@H]2C)c1=S ZINC000765029403 1302186680 /nfs/dbraw/zinc/18/66/80/1302186680.db2.gz MMYITGCQMLFTMP-UONOGXRCSA-N 1 2 329.473 3.350 20 30 EGEDLO N#Cc1c2c(cn(C[N@H+]3CCC[C@H]3c3cccc(F)c3)c1=O)CCC2 ZINC000766614029 1302488045 /nfs/dbraw/zinc/48/80/45/1302488045.db2.gz YQICQVLFQSRTKQ-IBGZPJMESA-N 1 2 337.398 3.142 20 30 EGEDLO N#Cc1c2c(cn(C[N@@H+]3CCC[C@H]3c3cccc(F)c3)c1=O)CCC2 ZINC000766614029 1302488048 /nfs/dbraw/zinc/48/80/48/1302488048.db2.gz YQICQVLFQSRTKQ-IBGZPJMESA-N 1 2 337.398 3.142 20 30 EGEDLO C[N@H+](CC(F)F)C1CCN(c2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000767196977 1302602557 /nfs/dbraw/zinc/60/25/57/1302602557.db2.gz ZWPWYRUWHXHBOZ-UHFFFAOYSA-N 1 2 336.430 3.416 20 30 EGEDLO C[N@@H+](CC(F)F)C1CCN(c2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000767196977 1302602563 /nfs/dbraw/zinc/60/25/63/1302602563.db2.gz ZWPWYRUWHXHBOZ-UHFFFAOYSA-N 1 2 336.430 3.416 20 30 EGEDLO C#CCCOc1ccc(C[N@H+]2Cc3ccc(C(=O)OC)cc3C2)cc1 ZINC000769371686 1303100075 /nfs/dbraw/zinc/10/00/75/1303100075.db2.gz SJXXILGIOUMWGK-UHFFFAOYSA-N 1 2 335.403 3.391 20 30 EGEDLO C#CCCOc1ccc(C[N@@H+]2Cc3ccc(C(=O)OC)cc3C2)cc1 ZINC000769371686 1303100079 /nfs/dbraw/zinc/10/00/79/1303100079.db2.gz SJXXILGIOUMWGK-UHFFFAOYSA-N 1 2 335.403 3.391 20 30 EGEDLO C=CC[C@@H](NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccncc1 ZINC000770626677 1303295829 /nfs/dbraw/zinc/29/58/29/1303295829.db2.gz RFIODVYPBKZFQL-IAGOWNOFSA-N 1 2 339.443 3.022 20 30 EGEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc(N2CCOCC2)cc1 ZINC000771282115 1303386270 /nfs/dbraw/zinc/38/62/70/1303386270.db2.gz VYIVHTXJCYZPDG-HJWRWDBZSA-N 1 2 333.391 3.067 20 30 EGEDLO C#CC[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000775398780 1303956013 /nfs/dbraw/zinc/95/60/13/1303956013.db2.gz LTLVUCPULHEASO-QGZVFWFLSA-N 1 2 348.362 3.499 20 30 EGEDLO CC(C)CNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000775559694 1303984940 /nfs/dbraw/zinc/98/49/40/1303984940.db2.gz YTXJZWDRPKSXQK-UHFFFAOYSA-N 1 2 333.863 3.196 20 30 EGEDLO C#C[C@H]([NH2+]Cc1csc(CCc2ccccc2)n1)[C@H]1CCCO1 ZINC000775791509 1304037714 /nfs/dbraw/zinc/03/77/14/1304037714.db2.gz VOJDBWMNHJDXCT-ZWKOTPCHSA-N 1 2 326.465 3.199 20 30 EGEDLO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@H+]1Cc1cccc(C#N)c1 ZINC000778298091 1304432596 /nfs/dbraw/zinc/43/25/96/1304432596.db2.gz WOJIAPQRCSQEFI-GASCZTMLSA-N 1 2 329.444 3.388 20 30 EGEDLO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1Cc1cccc(C#N)c1 ZINC000778298091 1304432603 /nfs/dbraw/zinc/43/26/03/1304432603.db2.gz WOJIAPQRCSQEFI-GASCZTMLSA-N 1 2 329.444 3.388 20 30 EGEDLO N#CCOc1cc(F)ccc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000781530490 1304839640 /nfs/dbraw/zinc/83/96/40/1304839640.db2.gz WAOLKWBDPAVSQP-UHFFFAOYSA-N 1 2 326.375 3.204 20 30 EGEDLO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1nc2ccc(Cl)cc2n1C ZINC000783299459 1305079354 /nfs/dbraw/zinc/07/93/54/1305079354.db2.gz CJECTGUPQIWHAU-NSHDSACASA-N 1 2 325.803 3.344 20 30 EGEDLO O=[N+]([O-])c1cc(C=[NH+]OCc2ccc(F)cn2)ccc1N1CCCC1 ZINC000786734186 1305621083 /nfs/dbraw/zinc/62/10/83/1305621083.db2.gz KCEFTMZQENEGGA-UHFFFAOYSA-N 1 2 344.346 3.280 20 30 EGEDLO CCN(C)c1ccc(C=[NH+]Nc2cncc(Br)c2)cn1 ZINC000790170798 1306271222 /nfs/dbraw/zinc/27/12/22/1306271222.db2.gz QQMGFKOSALOLRL-UHFFFAOYSA-N 1 2 334.221 3.141 20 30 EGEDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)COc1cccc(C#N)c1 ZINC000791335418 1308962939 /nfs/dbraw/zinc/96/29/39/1308962939.db2.gz HXODXVAOJDDLQR-UHFFFAOYSA-N 1 2 347.374 3.175 20 30 EGEDLO C[C@H]1C[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)[C@@H]1c1ccccc1 ZINC000793506646 1309387445 /nfs/dbraw/zinc/38/74/45/1309387445.db2.gz XAJIJTABZOQYDN-YWZLYKJASA-N 1 2 333.435 3.249 20 30 EGEDLO C[C@H]1C[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)[C@@H]1c1ccccc1 ZINC000793506646 1309387449 /nfs/dbraw/zinc/38/74/49/1309387449.db2.gz XAJIJTABZOQYDN-YWZLYKJASA-N 1 2 333.435 3.249 20 30 EGEDLO COc1cc2c(cc1OC)C(=NNc1cc[nH+]c3ccccc13)CC2 ZINC000794506981 1309539823 /nfs/dbraw/zinc/53/98/23/1309539823.db2.gz BSNGEGKCKFJPAA-UHFFFAOYSA-N 1 2 333.391 3.436 20 30 EGEDLO Cc1ccc([C@@H]2CCC[N@H+]2Cn2nc(CC#N)n(C)c2=S)cc1 ZINC000794616039 1309555336 /nfs/dbraw/zinc/55/53/36/1309555336.db2.gz DINFZMVHOHXRKY-HNNXBMFYSA-N 1 2 327.457 3.120 20 30 EGEDLO Cc1ccc([C@@H]2CCC[N@@H+]2Cn2nc(CC#N)n(C)c2=S)cc1 ZINC000794616039 1309555342 /nfs/dbraw/zinc/55/53/42/1309555342.db2.gz DINFZMVHOHXRKY-HNNXBMFYSA-N 1 2 327.457 3.120 20 30 EGEDLO Cn1c(CC#N)nn(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)c1=S ZINC000794626739 1309560550 /nfs/dbraw/zinc/56/05/50/1309560550.db2.gz NCJFCIKPSCCZGU-INIZCTEOSA-N 1 2 341.484 3.244 20 30 EGEDLO Cn1c(CC#N)nn(C[N@H+]2CCC[C@H](c3ccccc3)CC2)c1=S ZINC000794626739 1309560558 /nfs/dbraw/zinc/56/05/58/1309560558.db2.gz NCJFCIKPSCCZGU-INIZCTEOSA-N 1 2 341.484 3.244 20 30 EGEDLO COC(=O)c1csc(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)c1 ZINC000794725463 1309582334 /nfs/dbraw/zinc/58/23/34/1309582334.db2.gz XUFVRIWKIUBVAZ-PLNGDYQASA-N 1 2 326.377 3.387 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000796035317 1309888952 /nfs/dbraw/zinc/88/89/52/1309888952.db2.gz DTEAKJNJBDSUAI-HNAYVOBHSA-N 1 2 349.858 3.122 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000796035317 1309888957 /nfs/dbraw/zinc/88/89/57/1309888957.db2.gz DTEAKJNJBDSUAI-HNAYVOBHSA-N 1 2 349.858 3.122 20 30 EGEDLO C#CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccc(F)cc1)Cc1ccccc1 ZINC000796632842 1310050240 /nfs/dbraw/zinc/05/02/40/1310050240.db2.gz OAFNRXLWVYRYQA-QGZVFWFLSA-N 1 2 338.426 3.481 20 30 EGEDLO C#CC[N@H+](CC(=O)N(C)[C@H](C)c1ccc(F)cc1)Cc1ccccc1 ZINC000796632842 1310050250 /nfs/dbraw/zinc/05/02/50/1310050250.db2.gz OAFNRXLWVYRYQA-QGZVFWFLSA-N 1 2 338.426 3.481 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000796676096 1310061658 /nfs/dbraw/zinc/06/16/58/1310061658.db2.gz DDEITGLOWOURES-AWEZNQCLSA-N 1 2 345.281 3.418 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000796676096 1310061664 /nfs/dbraw/zinc/06/16/64/1310061664.db2.gz DDEITGLOWOURES-AWEZNQCLSA-N 1 2 345.281 3.418 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3CCCC3(F)F)CC2)cc1 ZINC000929364043 1328579536 /nfs/dbraw/zinc/57/95/36/1328579536.db2.gz XDQBSOBGNFJMKE-KRWDZBQOSA-N 1 2 347.409 3.028 20 30 EGEDLO C#C[C@@H](NC(=O)c1cccc2[nH+]ccn21)c1ccc(Cl)cc1F ZINC000804424281 1317234896 /nfs/dbraw/zinc/23/48/96/1317234896.db2.gz HVKPMQFGCVGRJC-CQSZACIVSA-N 1 2 327.746 3.231 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(COC(C)C)cc2)C1 ZINC000957372005 1317319449 /nfs/dbraw/zinc/31/94/49/1317319449.db2.gz CXRXWTLVKDOZDX-UHFFFAOYSA-N 1 2 330.472 3.334 20 30 EGEDLO C#CCOc1ccccc1OC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000810577137 1318025991 /nfs/dbraw/zinc/02/59/91/1318025991.db2.gz VWLLFQGHMXEVJQ-UHFFFAOYSA-N 1 2 346.386 3.092 20 30 EGEDLO C=CC[N@@H+](CCc1ccccc1)CN1C(=O)C(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000811737613 1318245936 /nfs/dbraw/zinc/24/59/36/1318245936.db2.gz OWHHHSALXDXCGF-OALUTQOASA-N 1 2 342.483 3.091 20 30 EGEDLO C=CC[N@H+](CCc1ccccc1)CN1C(=O)C(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000811737613 1318245945 /nfs/dbraw/zinc/24/59/45/1318245945.db2.gz OWHHHSALXDXCGF-OALUTQOASA-N 1 2 342.483 3.091 20 30 EGEDLO C=CCCC(=O)[C@H]1CCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000908645400 1318379387 /nfs/dbraw/zinc/37/93/87/1318379387.db2.gz UTKOSLAYMBKHRR-GOSISDBHSA-N 1 2 337.423 3.071 20 30 EGEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1c(F)cccc1Cl ZINC000960498404 1318609812 /nfs/dbraw/zinc/60/98/12/1318609812.db2.gz CRYMHZOZPTZJPI-STQMWFEESA-N 1 2 337.826 3.062 20 30 EGEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1c(F)cccc1Cl ZINC000960498404 1318609817 /nfs/dbraw/zinc/60/98/17/1318609817.db2.gz CRYMHZOZPTZJPI-STQMWFEESA-N 1 2 337.826 3.062 20 30 EGEDLO CC1(C)Cc2nc(N)sc2C(=[NH+]NCc2ccc(C#N)cc2)C1 ZINC000814882039 1318837804 /nfs/dbraw/zinc/83/78/04/1318837804.db2.gz BRYDDNMFADCQSG-UHFFFAOYSA-N 1 2 325.441 3.063 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000960786234 1318887907 /nfs/dbraw/zinc/88/79/07/1318887907.db2.gz CVYUOUNEXFRZQP-GOSISDBHSA-N 1 2 343.446 3.332 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000960786234 1318887913 /nfs/dbraw/zinc/88/79/13/1318887913.db2.gz CVYUOUNEXFRZQP-GOSISDBHSA-N 1 2 343.446 3.332 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccn(C(C)C)n1 ZINC000960789399 1318893397 /nfs/dbraw/zinc/89/33/97/1318893397.db2.gz WHCMSCCXAZXKKR-SFHVURJKSA-N 1 2 346.519 3.489 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccn(C(C)C)n1 ZINC000960789399 1318893407 /nfs/dbraw/zinc/89/34/07/1318893407.db2.gz WHCMSCCXAZXKKR-SFHVURJKSA-N 1 2 346.519 3.489 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@H+](Cc3cscn3)C2)CC1 ZINC001023570266 1319685806 /nfs/dbraw/zinc/68/58/06/1319685806.db2.gz AIZPFBFAGCMCFK-HNNXBMFYSA-N 1 2 333.501 3.218 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cscn3)C2)CC1 ZINC001023570266 1319685809 /nfs/dbraw/zinc/68/58/09/1319685809.db2.gz AIZPFBFAGCMCFK-HNNXBMFYSA-N 1 2 333.501 3.218 20 30 EGEDLO CC(C)n1c[nH+]cc1CN=Nc1c(F)cc(C(=O)NC2CC2)cc1F ZINC000819808952 1319789321 /nfs/dbraw/zinc/78/93/21/1319789321.db2.gz JZLLPCACFIINGC-UHFFFAOYSA-N 1 2 347.369 3.080 20 30 EGEDLO C#C[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(Cl)cc1 ZINC000820573640 1319914245 /nfs/dbraw/zinc/91/42/45/1319914245.db2.gz YMDIYGDSJTYHMG-QGZVFWFLSA-N 1 2 342.830 3.258 20 30 EGEDLO COCc1csc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000824950435 1320299709 /nfs/dbraw/zinc/29/97/09/1320299709.db2.gz SQIQAVHMEIFMPP-SFHVURJKSA-N 1 2 328.437 3.340 20 30 EGEDLO COCc1csc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000824950435 1320299712 /nfs/dbraw/zinc/29/97/12/1320299712.db2.gz SQIQAVHMEIFMPP-SFHVURJKSA-N 1 2 328.437 3.340 20 30 EGEDLO CCCCCCCCCC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000827468695 1320455863 /nfs/dbraw/zinc/45/58/63/1320455863.db2.gz ZRDBZEKEIGNKTO-UHFFFAOYSA-N 1 2 337.552 3.366 20 30 EGEDLO CC1(C)C[N@H+](C[C@H](O)CC#N)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000930569398 1328899635 /nfs/dbraw/zinc/89/96/35/1328899635.db2.gz RZOOFGRDUCRRKM-HUUCEWRRSA-N 1 2 342.361 3.132 20 30 EGEDLO CC1(C)C[N@@H+](C[C@H](O)CC#N)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000930569398 1328899638 /nfs/dbraw/zinc/89/96/38/1328899638.db2.gz RZOOFGRDUCRRKM-HUUCEWRRSA-N 1 2 342.361 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000839549593 1320936724 /nfs/dbraw/zinc/93/67/24/1320936724.db2.gz XWYLYHDFGZSKPE-AWEZNQCLSA-N 1 2 336.867 3.470 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000839549593 1320936729 /nfs/dbraw/zinc/93/67/29/1320936729.db2.gz XWYLYHDFGZSKPE-AWEZNQCLSA-N 1 2 336.867 3.470 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@@](C)(Cc2ccccc2)CC1=O ZINC000842596365 1321405396 /nfs/dbraw/zinc/40/53/96/1321405396.db2.gz MPNVGSIZMJUECP-QFIPXVFZSA-N 1 2 347.462 3.429 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C[C@@](C)(Cc2ccccc2)CC1=O ZINC000842596365 1321405401 /nfs/dbraw/zinc/40/54/01/1321405401.db2.gz MPNVGSIZMJUECP-QFIPXVFZSA-N 1 2 347.462 3.429 20 30 EGEDLO C[C@@H](CC(=O)OCc1cc(Cl)ccc1OCC#N)n1cc[nH+]c1 ZINC000845283167 1321693844 /nfs/dbraw/zinc/69/38/44/1321693844.db2.gz UOXKMNZXSNBUDG-LBPRGKRZSA-N 1 2 333.775 3.133 20 30 EGEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc3cc(Cl)ccc3nc2Cl)C1 ZINC000847009570 1321833320 /nfs/dbraw/zinc/83/33/20/1321833320.db2.gz KBFWDSAPBZSHEU-MRXNPFEDSA-N 1 2 336.222 3.392 20 30 EGEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc3cc(Cl)ccc3nc2Cl)C1 ZINC000847009570 1321833326 /nfs/dbraw/zinc/83/33/26/1321833326.db2.gz KBFWDSAPBZSHEU-MRXNPFEDSA-N 1 2 336.222 3.392 20 30 EGEDLO Cc1csc(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1C#N ZINC000847186782 1321849755 /nfs/dbraw/zinc/84/97/55/1321849755.db2.gz IJAPSKNYYOJRPM-GFCCVEGCSA-N 1 2 329.429 3.073 20 30 EGEDLO Cc1c[nH+]c2cc(C(=O)N[C@](C)(C#N)CCc3ccccc3)ccn12 ZINC000847478299 1321873893 /nfs/dbraw/zinc/87/38/93/1321873893.db2.gz NKNKEZYSNRXKGE-FQEVSTJZSA-N 1 2 332.407 3.288 20 30 EGEDLO C[NH+]=C(NCc1ccco1)NCc1cc(Cl)cc(Cl)c1O ZINC000849077457 1322069072 /nfs/dbraw/zinc/06/90/72/1322069072.db2.gz JICNPAHQFJMNNB-UHFFFAOYSA-N 1 2 328.199 3.157 20 30 EGEDLO CCC(C#N)(CC)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000859621379 1329036966 /nfs/dbraw/zinc/03/69/66/1329036966.db2.gz VIPDYZBLWHSKEG-UHFFFAOYSA-N 1 2 342.487 3.168 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cncc(Cl)c1C ZINC001024491852 1323441495 /nfs/dbraw/zinc/44/14/95/1323441495.db2.gz GTAQJZFUCTXCEG-ZDUSSCGKSA-N 1 2 342.270 3.380 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cncc(Cl)c1C ZINC001024491852 1323441498 /nfs/dbraw/zinc/44/14/98/1323441498.db2.gz GTAQJZFUCTXCEG-ZDUSSCGKSA-N 1 2 342.270 3.380 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(OC)c1C ZINC001024681786 1323594901 /nfs/dbraw/zinc/59/49/01/1323594901.db2.gz SFNOPGCURZLOBY-OAHLLOKOSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(OC)c1C ZINC001024681786 1323594911 /nfs/dbraw/zinc/59/49/11/1323594911.db2.gz SFNOPGCURZLOBY-OAHLLOKOSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](C/C(Cl)=C/Cl)C[C@H]32)CC1 ZINC001026012784 1324579958 /nfs/dbraw/zinc/57/99/58/1324579958.db2.gz NJLGFGXIFVINRT-KTHINSQBSA-N 1 2 329.271 3.098 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](C/C(Cl)=C/Cl)C[C@H]32)CC1 ZINC001026012784 1324579961 /nfs/dbraw/zinc/57/99/61/1324579961.db2.gz NJLGFGXIFVINRT-KTHINSQBSA-N 1 2 329.271 3.098 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](CN2C[C@@H](c3cccc(Cl)c3)CC2=O)C1 ZINC000853523464 1325114500 /nfs/dbraw/zinc/11/45/00/1325114500.db2.gz FATSCPFKXSFVPK-HOCLYGCPSA-N 1 2 331.847 3.239 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](CN2C[C@@H](c3cccc(Cl)c3)CC2=O)C1 ZINC000853523464 1325114504 /nfs/dbraw/zinc/11/45/04/1325114504.db2.gz FATSCPFKXSFVPK-HOCLYGCPSA-N 1 2 331.847 3.239 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccsc2)C1 ZINC001027288987 1325421540 /nfs/dbraw/zinc/42/15/40/1325421540.db2.gz OQXVTGRAOSBTBN-CYBMUJFWSA-N 1 2 343.290 3.193 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccsc2)C1 ZINC001027288987 1325421544 /nfs/dbraw/zinc/42/15/44/1325421544.db2.gz OQXVTGRAOSBTBN-CYBMUJFWSA-N 1 2 343.290 3.193 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(F)cc(Cl)c2)C1 ZINC001033446217 1341827227 /nfs/dbraw/zinc/82/72/27/1341827227.db2.gz DSAFUZMPUXSXGA-AWEZNQCLSA-N 1 2 331.218 3.378 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(F)cc(Cl)c2)C1 ZINC001033446217 1341827228 /nfs/dbraw/zinc/82/72/28/1341827228.db2.gz DSAFUZMPUXSXGA-AWEZNQCLSA-N 1 2 331.218 3.378 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)[C@H](C)c2nc(CC)no2)C1 ZINC001027519285 1327790105 /nfs/dbraw/zinc/79/01/05/1327790105.db2.gz JCFOFPQTICLHJL-HUUCEWRRSA-N 1 2 348.491 3.218 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)[C@H](C)c2nc(CC)no2)C1 ZINC001027519285 1327790110 /nfs/dbraw/zinc/79/01/10/1327790110.db2.gz JCFOFPQTICLHJL-HUUCEWRRSA-N 1 2 348.491 3.218 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([N@H+](C)Cc2ncc(C)s2)C1 ZINC001027519846 1327792690 /nfs/dbraw/zinc/79/26/90/1327792690.db2.gz XPPGMITZLSOMRL-HNNXBMFYSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2ncc(C)s2)C1 ZINC001027519846 1327792695 /nfs/dbraw/zinc/79/26/95/1327792695.db2.gz XPPGMITZLSOMRL-HNNXBMFYSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2(C)CC(=C)C2)C1 ZINC001027567024 1327895320 /nfs/dbraw/zinc/89/53/20/1327895320.db2.gz PORACTFXFZENTH-CQSZACIVSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)C2(C)CC(=C)C2)C1 ZINC001027567024 1327895326 /nfs/dbraw/zinc/89/53/26/1327895326.db2.gz PORACTFXFZENTH-CQSZACIVSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@@H+](C)[C@@H](C)c3nnc(C)s3)C2)C1 ZINC001027567765 1327896922 /nfs/dbraw/zinc/89/69/22/1327896922.db2.gz ZZJJDEFCVPTPOS-DZGCQCFKSA-N 1 2 348.516 3.187 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@H+](C)[C@@H](C)c3nnc(C)s3)C2)C1 ZINC001027567765 1327896933 /nfs/dbraw/zinc/89/69/33/1327896933.db2.gz ZZJJDEFCVPTPOS-DZGCQCFKSA-N 1 2 348.516 3.187 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)c2cccs2)cc1F ZINC001027733454 1328158020 /nfs/dbraw/zinc/15/80/20/1328158020.db2.gz CBDUWNNRCCHSPX-HNNXBMFYSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)c2cccs2)cc1F ZINC001027733454 1328158024 /nfs/dbraw/zinc/15/80/24/1328158024.db2.gz CBDUWNNRCCHSPX-HNNXBMFYSA-N 1 2 343.427 3.153 20 30 EGEDLO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1)c1sccc1F ZINC001027862824 1328322455 /nfs/dbraw/zinc/32/24/55/1328322455.db2.gz XLWDTYLUIYHYBH-INIZCTEOSA-N 1 2 342.439 3.133 20 30 EGEDLO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1)c1sccc1F ZINC001027862824 1328322462 /nfs/dbraw/zinc/32/24/62/1328322462.db2.gz XLWDTYLUIYHYBH-INIZCTEOSA-N 1 2 342.439 3.133 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1coc2c1cccc2OC ZINC001027885003 1328350901 /nfs/dbraw/zinc/35/09/01/1328350901.db2.gz WGPHPZYSIRYKIR-CYBMUJFWSA-N 1 2 348.830 3.388 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1coc2c1cccc2OC ZINC001027885003 1328350905 /nfs/dbraw/zinc/35/09/05/1328350905.db2.gz WGPHPZYSIRYKIR-CYBMUJFWSA-N 1 2 348.830 3.388 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC000966722337 1328393004 /nfs/dbraw/zinc/39/30/04/1328393004.db2.gz LVXHSEVHWIGYFS-MEBBXXQBSA-N 1 2 328.790 3.158 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC000966722337 1328393013 /nfs/dbraw/zinc/39/30/13/1328393013.db2.gz LVXHSEVHWIGYFS-MEBBXXQBSA-N 1 2 328.790 3.158 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc2ccccc2nc1C ZINC001027916970 1328394680 /nfs/dbraw/zinc/39/46/80/1328394680.db2.gz XYLLYUQWYFWMIL-MRXNPFEDSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2ccccc2nc1C ZINC001027916970 1328394688 /nfs/dbraw/zinc/39/46/88/1328394688.db2.gz XYLLYUQWYFWMIL-MRXNPFEDSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C1C2CC3CC(C2)CC1C3 ZINC001027933525 1328413086 /nfs/dbraw/zinc/41/30/86/1328413086.db2.gz YOZXCXXGJHZVQR-SVXFNXITSA-N 1 2 336.907 3.392 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C1C2CC3CC(C2)CC1C3 ZINC001027933525 1328413091 /nfs/dbraw/zinc/41/30/91/1328413091.db2.gz YOZXCXXGJHZVQR-SVXFNXITSA-N 1 2 336.907 3.392 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)ccc1F ZINC001028010845 1328472893 /nfs/dbraw/zinc/47/28/93/1328472893.db2.gz FDZSEGCHHVEPQG-GFCCVEGCSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)ccc1F ZINC001028010845 1328472895 /nfs/dbraw/zinc/47/28/95/1328472895.db2.gz FDZSEGCHHVEPQG-GFCCVEGCSA-N 1 2 331.218 3.426 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(Nc2ccc(OC)cc2)c1 ZINC000862648395 1329501203 /nfs/dbraw/zinc/50/12/03/1329501203.db2.gz OQFIXVRFZIVQQD-FQEVSTJZSA-N 1 2 349.434 3.475 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(Nc2ccc(OC)cc2)c1 ZINC000862648395 1329501205 /nfs/dbraw/zinc/50/12/05/1329501205.db2.gz OQFIXVRFZIVQQD-FQEVSTJZSA-N 1 2 349.434 3.475 20 30 EGEDLO CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000932441301 1329815060 /nfs/dbraw/zinc/81/50/60/1329815060.db2.gz WRAACSUVTSWSND-HNNXBMFYSA-N 1 2 349.862 3.121 20 30 EGEDLO CC(C)(C)NC(=O)[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000932441301 1329815062 /nfs/dbraw/zinc/81/50/62/1329815062.db2.gz WRAACSUVTSWSND-HNNXBMFYSA-N 1 2 349.862 3.121 20 30 EGEDLO COC(=O)c1csc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC000933608369 1329905473 /nfs/dbraw/zinc/90/54/73/1329905473.db2.gz YZHDQWUYMHGSQT-UHFFFAOYSA-N 1 2 341.436 3.181 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000934629019 1329994327 /nfs/dbraw/zinc/99/43/27/1329994327.db2.gz LXPQEDLLHOMULH-HZPDHXFCSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000934629019 1329994328 /nfs/dbraw/zinc/99/43/28/1329994328.db2.gz LXPQEDLLHOMULH-HZPDHXFCSA-N 1 2 333.476 3.433 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[NH2+][C@H](c3ccncc3)C3CC3)o2)c1 ZINC000934692427 1330000374 /nfs/dbraw/zinc/00/03/74/1330000374.db2.gz OMUSRTJUVDFQEB-SFHVURJKSA-N 1 2 331.379 3.244 20 30 EGEDLO CCOC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)CC1 ZINC000866343316 1330099305 /nfs/dbraw/zinc/09/93/05/1330099305.db2.gz LWBKPCGSOPHZPO-UONOGXRCSA-N 1 2 345.443 3.171 20 30 EGEDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000867627386 1330211828 /nfs/dbraw/zinc/21/18/28/1330211828.db2.gz HLCNNTMYTTVKIO-UHFFFAOYSA-N 1 2 333.388 3.088 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2CCCC2)C(C)(C)C1 ZINC000940517700 1331096881 /nfs/dbraw/zinc/09/68/81/1331096881.db2.gz WSSMQJRCKZNNHN-AWEZNQCLSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2CCCC2)C(C)(C)C1 ZINC000940517700 1331096884 /nfs/dbraw/zinc/09/68/84/1331096884.db2.gz WSSMQJRCKZNNHN-AWEZNQCLSA-N 1 2 343.309 3.302 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)C2CCC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC000946972071 1332950186 /nfs/dbraw/zinc/95/01/86/1332950186.db2.gz VXFOPYWOUOFIPV-YJBOKZPZSA-N 1 2 344.886 3.461 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)C2CCC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC000946972071 1332950187 /nfs/dbraw/zinc/95/01/87/1332950187.db2.gz VXFOPYWOUOFIPV-YJBOKZPZSA-N 1 2 344.886 3.461 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3nccc(C)n3)[C@@H](C)C2)CC1 ZINC000947688715 1333223246 /nfs/dbraw/zinc/22/32/46/1333223246.db2.gz DYNRAWZFORTHEO-FUHWJXTLSA-N 1 2 342.487 3.001 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3nccc(C)n3)[C@@H](C)C2)CC1 ZINC000947688715 1333223249 /nfs/dbraw/zinc/22/32/49/1333223249.db2.gz DYNRAWZFORTHEO-FUHWJXTLSA-N 1 2 342.487 3.001 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C2(C)CC=CC2)C[C@H]1C ZINC000947693445 1333226750 /nfs/dbraw/zinc/22/67/50/1333226750.db2.gz MZESGFZIAVXTAW-ZIAGYGMSSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CC=CC2)C[C@H]1C ZINC000947693445 1333226753 /nfs/dbraw/zinc/22/67/53/1333226753.db2.gz MZESGFZIAVXTAW-ZIAGYGMSSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CCC[N@@H+]([C@@H](C)c3noc(C)n3)CC2)C1 ZINC000948754092 1333662792 /nfs/dbraw/zinc/66/27/92/1333662792.db2.gz SUYAYPBGNIRRQG-HOCLYGCPSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CCC[N@H+]([C@@H](C)c3noc(C)n3)CC2)C1 ZINC000948754092 1333662794 /nfs/dbraw/zinc/66/27/94/1333662794.db2.gz SUYAYPBGNIRRQG-HOCLYGCPSA-N 1 2 346.475 3.108 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(OCC)cc1 ZINC000948981658 1333756967 /nfs/dbraw/zinc/75/69/67/1333756967.db2.gz CZVQDXFRYRSKHM-OAQYLSRUSA-N 1 2 348.446 3.048 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(OCC)cc1 ZINC000948981658 1333756969 /nfs/dbraw/zinc/75/69/69/1333756969.db2.gz CZVQDXFRYRSKHM-OAQYLSRUSA-N 1 2 348.446 3.048 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(C)cc1C ZINC000948981768 1333757154 /nfs/dbraw/zinc/75/71/54/1333757154.db2.gz FAHOYBFOZNNRRK-OAQYLSRUSA-N 1 2 332.447 3.266 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(C)cc1C ZINC000948981768 1333757156 /nfs/dbraw/zinc/75/71/56/1333757156.db2.gz FAHOYBFOZNNRRK-OAQYLSRUSA-N 1 2 332.447 3.266 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc2ccccc2o1 ZINC000948982088 1333757688 /nfs/dbraw/zinc/75/76/88/1333757688.db2.gz HLAOSOGZQIVGSF-IBGZPJMESA-N 1 2 344.414 3.395 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc2ccccc2o1 ZINC000948982088 1333757690 /nfs/dbraw/zinc/75/76/90/1333757690.db2.gz HLAOSOGZQIVGSF-IBGZPJMESA-N 1 2 344.414 3.395 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(CC)cc1 ZINC000948983336 1333758765 /nfs/dbraw/zinc/75/87/65/1333758765.db2.gz ZOIGIDHXJHPBKX-OAQYLSRUSA-N 1 2 332.447 3.211 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(CC)cc1 ZINC000948983336 1333758766 /nfs/dbraw/zinc/75/87/66/1333758766.db2.gz ZOIGIDHXJHPBKX-OAQYLSRUSA-N 1 2 332.447 3.211 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(F)s1 ZINC000948990089 1333762437 /nfs/dbraw/zinc/76/24/37/1333762437.db2.gz ZDDDUBNFELXTHT-OAHLLOKOSA-N 1 2 330.428 3.402 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(F)s1 ZINC000948990089 1333762440 /nfs/dbraw/zinc/76/24/40/1333762440.db2.gz ZDDDUBNFELXTHT-OAHLLOKOSA-N 1 2 330.428 3.402 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](Cc2cccc(COC)c2)CC1 ZINC000950038878 1333998468 /nfs/dbraw/zinc/99/84/68/1333998468.db2.gz IIGOAUWCNSHAIU-FQEVSTJZSA-N 1 2 330.472 3.080 20 30 EGEDLO C=C1CCC(C(=O)N(CC)C2C[NH+](CCc3csc(C)n3)C2)CC1 ZINC000951619164 1334280428 /nfs/dbraw/zinc/28/04/28/1334280428.db2.gz COFGZKFNRBNMIQ-UHFFFAOYSA-N 1 2 347.528 3.273 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC000967274670 1335684021 /nfs/dbraw/zinc/68/40/21/1335684021.db2.gz RMKRTXZFXAVJNS-SJKOYZFVSA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC000967274670 1335684023 /nfs/dbraw/zinc/68/40/23/1335684023.db2.gz RMKRTXZFXAVJNS-SJKOYZFVSA-N 1 2 331.847 3.361 20 30 EGEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C1(C)CCC1 ZINC000967750576 1335811955 /nfs/dbraw/zinc/81/19/55/1335811955.db2.gz SQIJKLGZMGKKSV-RDTXWAMCSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C1(C)CCC1 ZINC000967750576 1335811958 /nfs/dbraw/zinc/81/19/58/1335811958.db2.gz SQIJKLGZMGKKSV-RDTXWAMCSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](Cc3cccc(Cl)n3)CC[C@H]2C)C1 ZINC000968215101 1335873833 /nfs/dbraw/zinc/87/38/33/1335873833.db2.gz VZLJNDCVCQRTHG-ZBFHGGJFSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](Cc3cccc(Cl)n3)CC[C@H]2C)C1 ZINC000968215101 1335873836 /nfs/dbraw/zinc/87/38/36/1335873836.db2.gz VZLJNDCVCQRTHG-ZBFHGGJFSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3ncoc3C(C)C)CC[C@@H]2C)C1 ZINC000968273730 1335882379 /nfs/dbraw/zinc/88/23/79/1335882379.db2.gz IZBWBVXHLPIQMI-JKSUJKDBSA-N 1 2 345.487 3.481 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3ncoc3C(C)C)CC[C@@H]2C)C1 ZINC000968273730 1335882380 /nfs/dbraw/zinc/88/23/80/1335882380.db2.gz IZBWBVXHLPIQMI-JKSUJKDBSA-N 1 2 345.487 3.481 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000968408466 1335923326 /nfs/dbraw/zinc/92/33/26/1335923326.db2.gz CTQCEASYUTYGNC-WBMJQRKESA-N 1 2 346.862 3.064 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000968408466 1335923329 /nfs/dbraw/zinc/92/33/29/1335923329.db2.gz CTQCEASYUTYGNC-WBMJQRKESA-N 1 2 346.862 3.064 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1c(C)noc1C ZINC000968750155 1336038165 /nfs/dbraw/zinc/03/81/65/1336038165.db2.gz GKBDQCKEPZYQDI-AWEZNQCLSA-N 1 2 325.840 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1c(C)noc1C ZINC000968750155 1336038166 /nfs/dbraw/zinc/03/81/66/1336038166.db2.gz GKBDQCKEPZYQDI-AWEZNQCLSA-N 1 2 325.840 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1scnc1C ZINC000968758304 1336041396 /nfs/dbraw/zinc/04/13/96/1336041396.db2.gz LAXZECSCXQFNPH-CYBMUJFWSA-N 1 2 327.881 3.178 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1scnc1C ZINC000968758304 1336041398 /nfs/dbraw/zinc/04/13/98/1336041398.db2.gz LAXZECSCXQFNPH-CYBMUJFWSA-N 1 2 327.881 3.178 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cnc(C2CC2)o1 ZINC000968893979 1336083045 /nfs/dbraw/zinc/08/30/45/1336083045.db2.gz WNPPWSVMUVGSBI-CQSZACIVSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1cnc(C2CC2)o1 ZINC000968893979 1336083048 /nfs/dbraw/zinc/08/30/48/1336083048.db2.gz WNPPWSVMUVGSBI-CQSZACIVSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1sc(C)nc1C ZINC000969139500 1336158232 /nfs/dbraw/zinc/15/82/32/1336158232.db2.gz NHEAVGPOLSMJQM-AWEZNQCLSA-N 1 2 341.908 3.487 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1sc(C)nc1C ZINC000969139500 1336158233 /nfs/dbraw/zinc/15/82/33/1336158233.db2.gz NHEAVGPOLSMJQM-AWEZNQCLSA-N 1 2 341.908 3.487 20 30 EGEDLO C[C@@H](NC(=O)c1cccs1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969239445 1336185005 /nfs/dbraw/zinc/18/50/05/1336185005.db2.gz AHYCQCZMZMAERU-GFCCVEGCSA-N 1 2 343.427 3.009 20 30 EGEDLO Cc1coc(C)c1C(=O)N[C@H](C)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969607128 1336228276 /nfs/dbraw/zinc/22/82/76/1336228276.db2.gz UNGVCCUITXPERY-CQSZACIVSA-N 1 2 337.423 3.018 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cccc(-n3cccc3)c2)C1 ZINC000970087708 1336278721 /nfs/dbraw/zinc/27/87/21/1336278721.db2.gz CUOPGIZBILLYTE-HNNXBMFYSA-N 1 2 343.858 3.280 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H](C)C2C[NH+](Cc3nc(C)cs3)C2)CC1 ZINC000970375877 1336300101 /nfs/dbraw/zinc/30/01/01/1336300101.db2.gz IGEJCQVGDHTPPL-AWEZNQCLSA-N 1 2 333.501 3.134 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc3cnccc3c2)C1 ZINC000970699471 1336333992 /nfs/dbraw/zinc/33/39/92/1336333992.db2.gz IPIWTCFKYXZFBR-ZDUSSCGKSA-N 1 2 329.831 3.037 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CC=CCC3)C2)c(F)c1 ZINC001006724591 1336563757 /nfs/dbraw/zinc/56/37/57/1336563757.db2.gz ULNPBHMYJGAZHI-SJLPKXTDSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3CC=CCC3)C2)c(F)c1 ZINC001006724591 1336563760 /nfs/dbraw/zinc/56/37/60/1336563760.db2.gz ULNPBHMYJGAZHI-SJLPKXTDSA-N 1 2 341.430 3.134 20 30 EGEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([C@@H](C)Nc3cc[nH+]c(C)n3)C2)cc1 ZINC001063899542 1352075087 /nfs/dbraw/zinc/07/50/87/1352075087.db2.gz GBGMOEXZLQAWAZ-BEFAXECRSA-N 1 2 348.450 3.119 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([C@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001063900214 1352076026 /nfs/dbraw/zinc/07/60/26/1352076026.db2.gz PBXDVMNBWCSHIU-HOCLYGCPSA-N 1 2 330.476 3.426 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001007006985 1336624142 /nfs/dbraw/zinc/62/41/42/1336624142.db2.gz SXFJVTYYSJTCNI-ZRNYENFQSA-N 1 2 337.467 3.075 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001007006985 1336624145 /nfs/dbraw/zinc/62/41/45/1336624145.db2.gz SXFJVTYYSJTCNI-ZRNYENFQSA-N 1 2 337.467 3.075 20 30 EGEDLO CC1CC(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC001007074636 1336638998 /nfs/dbraw/zinc/63/89/98/1336638998.db2.gz XFXNFJSRXGDCKQ-KVWWFHCMSA-N 1 2 344.886 3.318 20 30 EGEDLO CC1CC(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC001007074636 1336638999 /nfs/dbraw/zinc/63/89/99/1336638999.db2.gz XFXNFJSRXGDCKQ-KVWWFHCMSA-N 1 2 344.886 3.318 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1)C1CCC1 ZINC001007596006 1336674181 /nfs/dbraw/zinc/67/41/81/1336674181.db2.gz MXUJPGJJIIASKH-DNVCBOLYSA-N 1 2 325.456 3.075 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1)C1CCC1 ZINC001007596006 1336674185 /nfs/dbraw/zinc/67/41/85/1336674185.db2.gz MXUJPGJJIIASKH-DNVCBOLYSA-N 1 2 325.456 3.075 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001007610774 1336676855 /nfs/dbraw/zinc/67/68/55/1336676855.db2.gz QLJWZUJYLAJSBN-XLIONFOSSA-N 1 2 337.467 3.385 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001007610774 1336676856 /nfs/dbraw/zinc/67/68/56/1336676856.db2.gz QLJWZUJYLAJSBN-XLIONFOSSA-N 1 2 337.467 3.385 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)CC2CC(F)(F)C2)C1 ZINC001007688529 1336688363 /nfs/dbraw/zinc/68/83/63/1336688363.db2.gz ROTKSYIHNIIHEH-QGZVFWFLSA-N 1 2 347.409 3.074 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)CC2CC(F)(F)C2)C1 ZINC001007688529 1336688365 /nfs/dbraw/zinc/68/83/65/1336688365.db2.gz ROTKSYIHNIIHEH-QGZVFWFLSA-N 1 2 347.409 3.074 20 30 EGEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)c1occ2c1CCC2 ZINC001008075842 1336763232 /nfs/dbraw/zinc/76/32/32/1336763232.db2.gz KLCGOPFWWOYLDY-LJQANCHMSA-N 1 2 348.446 3.014 20 30 EGEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1occ2c1CCC2 ZINC001008075842 1336763233 /nfs/dbraw/zinc/76/32/33/1336763233.db2.gz KLCGOPFWWOYLDY-LJQANCHMSA-N 1 2 348.446 3.014 20 30 EGEDLO CC(C)(C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)C1CC1 ZINC001008227482 1336797617 /nfs/dbraw/zinc/79/76/17/1336797617.db2.gz WLSNSRWOJCOZHE-LJQANCHMSA-N 1 2 342.458 3.194 20 30 EGEDLO CC(C)(C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)C1CC1 ZINC001008227482 1336797618 /nfs/dbraw/zinc/79/76/18/1336797618.db2.gz WLSNSRWOJCOZHE-LJQANCHMSA-N 1 2 342.458 3.194 20 30 EGEDLO C[C@]1(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)C=CCC1 ZINC001008230616 1336799348 /nfs/dbraw/zinc/79/93/48/1336799348.db2.gz MDJMOSVEGHVTMH-PXNSSMCTSA-N 1 2 341.430 3.134 20 30 EGEDLO C[C@]1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)C=CCC1 ZINC001008230616 1336799351 /nfs/dbraw/zinc/79/93/51/1336799351.db2.gz MDJMOSVEGHVTMH-PXNSSMCTSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cncc3sccc32)C1 ZINC001008301574 1336818470 /nfs/dbraw/zinc/81/84/70/1336818470.db2.gz ZMQKBBKWNMVWJQ-LBPRGKRZSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cncc3sccc32)C1 ZINC001008301574 1336818472 /nfs/dbraw/zinc/81/84/72/1336818472.db2.gz ZMQKBBKWNMVWJQ-LBPRGKRZSA-N 1 2 335.860 3.243 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001008315375 1336820884 /nfs/dbraw/zinc/82/08/84/1336820884.db2.gz CIMKTPBDPGABSW-SFHVURJKSA-N 1 2 349.434 3.423 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001008315375 1336820887 /nfs/dbraw/zinc/82/08/87/1336820887.db2.gz CIMKTPBDPGABSW-SFHVURJKSA-N 1 2 349.434 3.423 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2(c3ccccc3F)CC2)C1 ZINC001009057622 1336961293 /nfs/dbraw/zinc/96/12/93/1336961293.db2.gz JUFURQHOVVYMCC-AWEZNQCLSA-N 1 2 336.838 3.190 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2(c3ccccc3F)CC2)C1 ZINC001009057622 1336961294 /nfs/dbraw/zinc/96/12/94/1336961294.db2.gz JUFURQHOVVYMCC-AWEZNQCLSA-N 1 2 336.838 3.190 20 30 EGEDLO CC1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)CC(F)(F)C1 ZINC001009158396 1336978509 /nfs/dbraw/zinc/97/85/09/1336978509.db2.gz BYZQKKKTSYXKIG-MRXNPFEDSA-N 1 2 347.409 3.074 20 30 EGEDLO CC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)CC(F)(F)C1 ZINC001009158396 1336978511 /nfs/dbraw/zinc/97/85/11/1336978511.db2.gz BYZQKKKTSYXKIG-MRXNPFEDSA-N 1 2 347.409 3.074 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2sc(C)cc2C)C1 ZINC001009355641 1337010184 /nfs/dbraw/zinc/01/01/84/1337010184.db2.gz DGBMKZMEUYXCAP-AWEZNQCLSA-N 1 2 326.893 3.241 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2sc(C)cc2C)C1 ZINC001009355641 1337010186 /nfs/dbraw/zinc/01/01/86/1337010186.db2.gz DGBMKZMEUYXCAP-AWEZNQCLSA-N 1 2 326.893 3.241 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)c2cccc(OC)c2)C1 ZINC001009645961 1337052270 /nfs/dbraw/zinc/05/22/70/1337052270.db2.gz ZZNATOIUNRDENL-GDBMZVCRSA-N 1 2 336.863 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)c2cccc(OC)c2)C1 ZINC001009645961 1337052271 /nfs/dbraw/zinc/05/22/71/1337052271.db2.gz ZZNATOIUNRDENL-GDBMZVCRSA-N 1 2 336.863 3.132 20 30 EGEDLO CC1=C(C)C[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC001014541742 1337815373 /nfs/dbraw/zinc/81/53/73/1337815373.db2.gz GOJHQQXASUTZAZ-FXAWDEMLSA-N 1 2 337.467 3.385 20 30 EGEDLO CC1=C(C)C[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC001014541742 1337815378 /nfs/dbraw/zinc/81/53/78/1337815378.db2.gz GOJHQQXASUTZAZ-FXAWDEMLSA-N 1 2 337.467 3.385 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C3CCCCC3)n[nH]2)C1 ZINC001014758947 1337900911 /nfs/dbraw/zinc/90/09/11/1337900911.db2.gz YRYXVWOZLJGNDK-AWEZNQCLSA-N 1 2 336.867 3.014 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C3CCCCC3)n[nH]2)C1 ZINC001014758947 1337900913 /nfs/dbraw/zinc/90/09/13/1337900913.db2.gz YRYXVWOZLJGNDK-AWEZNQCLSA-N 1 2 336.867 3.014 20 30 EGEDLO CCc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)s1 ZINC001015148474 1338033912 /nfs/dbraw/zinc/03/39/12/1338033912.db2.gz JGBRWRLKSOGTSR-LBPRGKRZSA-N 1 2 345.493 3.248 20 30 EGEDLO CCc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)s1 ZINC001015148474 1338033915 /nfs/dbraw/zinc/03/39/15/1338033915.db2.gz JGBRWRLKSOGTSR-LBPRGKRZSA-N 1 2 345.493 3.248 20 30 EGEDLO CC1(C(=O)N[C@@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)CCCC1 ZINC001015437159 1338141341 /nfs/dbraw/zinc/14/13/41/1338141341.db2.gz XIBDUDFIQUNPOE-GOSISDBHSA-N 1 2 344.886 3.462 20 30 EGEDLO CC1(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)CCCC1 ZINC001015437159 1338141342 /nfs/dbraw/zinc/14/13/42/1338141342.db2.gz XIBDUDFIQUNPOE-GOSISDBHSA-N 1 2 344.886 3.462 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)C[C@@H]3CC=CCC3)C2)c1 ZINC001015525807 1338167418 /nfs/dbraw/zinc/16/74/18/1338167418.db2.gz BNLLAUCZCGDOOL-CRAIPNDOSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)C[C@@H]3CC=CCC3)C2)c1 ZINC001015525807 1338167421 /nfs/dbraw/zinc/16/74/21/1338167421.db2.gz BNLLAUCZCGDOOL-CRAIPNDOSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001015687818 1338259471 /nfs/dbraw/zinc/25/94/71/1338259471.db2.gz SFTITHGXEIBXJR-WMLDXEAASA-N 1 2 347.409 3.074 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001015687818 1338259474 /nfs/dbraw/zinc/25/94/74/1338259474.db2.gz SFTITHGXEIBXJR-WMLDXEAASA-N 1 2 347.409 3.074 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001015727844 1338274053 /nfs/dbraw/zinc/27/40/53/1338274053.db2.gz FBSQFASZOABZII-FGTMMUONSA-N 1 2 343.446 3.070 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001015727844 1338274055 /nfs/dbraw/zinc/27/40/55/1338274055.db2.gz FBSQFASZOABZII-FGTMMUONSA-N 1 2 343.446 3.070 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1)C1CCCC1 ZINC001015972612 1338386429 /nfs/dbraw/zinc/38/64/29/1338386429.db2.gz LYXBDUSABRXJLH-DNVCBOLYSA-N 1 2 325.456 3.075 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1)C1CCCC1 ZINC001015972612 1338386435 /nfs/dbraw/zinc/38/64/35/1338386435.db2.gz LYXBDUSABRXJLH-DNVCBOLYSA-N 1 2 325.456 3.075 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ccccc3Cl)C2)s1 ZINC001016066072 1338439327 /nfs/dbraw/zinc/43/93/27/1338439327.db2.gz KJKNQJQOJHHNPI-GFCCVEGCSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccccc3Cl)C2)s1 ZINC001016066072 1338439331 /nfs/dbraw/zinc/43/93/31/1338439331.db2.gz KJKNQJQOJHHNPI-GFCCVEGCSA-N 1 2 345.855 3.277 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)cc1 ZINC001016075999 1338447162 /nfs/dbraw/zinc/44/71/62/1338447162.db2.gz CJNZEAKMSBQRNZ-SFHVURJKSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)cc1 ZINC001016075999 1338447164 /nfs/dbraw/zinc/44/71/64/1338447164.db2.gz CJNZEAKMSBQRNZ-SFHVURJKSA-N 1 2 337.398 3.010 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc3ccccc3c2)C1 ZINC001016208716 1338508803 /nfs/dbraw/zinc/50/88/03/1338508803.db2.gz NKCPHJZACWYIKK-SFHVURJKSA-N 1 2 328.843 3.325 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccc3ccccc3c2)C1 ZINC001016208716 1338508806 /nfs/dbraw/zinc/50/88/06/1338508806.db2.gz NKCPHJZACWYIKK-SFHVURJKSA-N 1 2 328.843 3.325 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2c1cccc2Cl ZINC001017738874 1339408111 /nfs/dbraw/zinc/40/81/11/1339408111.db2.gz ADGIQBICSHQAHJ-DAYGRLMNSA-N 1 2 342.870 3.068 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2c1cccc2Cl ZINC001017738874 1339408112 /nfs/dbraw/zinc/40/81/12/1339408112.db2.gz ADGIQBICSHQAHJ-DAYGRLMNSA-N 1 2 342.870 3.068 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@H+]2Cc2nc(C)oc2C)CC1 ZINC001028117498 1340438332 /nfs/dbraw/zinc/43/83/32/1340438332.db2.gz QCUWUMYAKWUION-KRWDZBQOSA-N 1 2 331.460 3.118 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2nc(C)oc2C)CC1 ZINC001028117498 1340438336 /nfs/dbraw/zinc/43/83/36/1340438336.db2.gz QCUWUMYAKWUION-KRWDZBQOSA-N 1 2 331.460 3.118 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(OCC)c(C)c1 ZINC001028176428 1340469088 /nfs/dbraw/zinc/46/90/88/1340469088.db2.gz FPFHROWLZNFOGS-INIZCTEOSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(OCC)c(C)c1 ZINC001028176428 1340469089 /nfs/dbraw/zinc/46/90/89/1340469089.db2.gz FPFHROWLZNFOGS-INIZCTEOSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(C)s1 ZINC001028192162 1340476626 /nfs/dbraw/zinc/47/66/26/1340476626.db2.gz DIIIGNJIZQXAMS-RRFJBIMHSA-N 1 2 338.904 3.493 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(C)s1 ZINC001028192162 1340476627 /nfs/dbraw/zinc/47/66/27/1340476627.db2.gz DIIIGNJIZQXAMS-RRFJBIMHSA-N 1 2 338.904 3.493 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccncc1C(F)(F)F ZINC001028239633 1340500465 /nfs/dbraw/zinc/50/04/65/1340500465.db2.gz ROKQKHNFZNHEGR-NSHDSACASA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccncc1C(F)(F)F ZINC001028239633 1340500467 /nfs/dbraw/zinc/50/04/67/1340500467.db2.gz ROKQKHNFZNHEGR-NSHDSACASA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnn([C@@H](C)CC)c1C ZINC001028253317 1340513926 /nfs/dbraw/zinc/51/39/26/1340513926.db2.gz UJWSTWZVTDZTLS-ZFWWWQNUSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnn([C@@H](C)CC)c1C ZINC001028253317 1340513929 /nfs/dbraw/zinc/51/39/29/1340513929.db2.gz UJWSTWZVTDZTLS-ZFWWWQNUSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001028343197 1340582237 /nfs/dbraw/zinc/58/22/37/1340582237.db2.gz LLUJZGCKCBDLDR-IXDOHACOSA-N 1 2 336.838 3.262 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001028343197 1340582242 /nfs/dbraw/zinc/58/22/42/1340582242.db2.gz LLUJZGCKCBDLDR-IXDOHACOSA-N 1 2 336.838 3.262 20 30 EGEDLO O=C(CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029188575 1340951184 /nfs/dbraw/zinc/95/11/84/1340951184.db2.gz SNEFOWYVMMEETH-KDURUIRLSA-N 1 2 342.870 3.167 20 30 EGEDLO O=C(CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029188575 1340951185 /nfs/dbraw/zinc/95/11/85/1340951185.db2.gz SNEFOWYVMMEETH-KDURUIRLSA-N 1 2 342.870 3.167 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1cnc(C)cn1 ZINC001029420277 1340986220 /nfs/dbraw/zinc/98/62/20/1340986220.db2.gz VNVLRSMVFYLCPX-YESZJQIVSA-N 1 2 342.487 3.124 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1cnc(C)cn1 ZINC001029420277 1340986221 /nfs/dbraw/zinc/98/62/21/1340986221.db2.gz VNVLRSMVFYLCPX-YESZJQIVSA-N 1 2 342.487 3.124 20 30 EGEDLO CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001029450581 1340992863 /nfs/dbraw/zinc/99/28/63/1340992863.db2.gz QCJHMFRNUFUQFK-CALCHBBNSA-N 1 2 343.446 3.309 20 30 EGEDLO CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001029450581 1340992864 /nfs/dbraw/zinc/99/28/64/1340992864.db2.gz QCJHMFRNUFUQFK-CALCHBBNSA-N 1 2 343.446 3.309 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029463528 1340996359 /nfs/dbraw/zinc/99/63/59/1340996359.db2.gz ZTWINMGDMSAUAW-MXEMCNAFSA-N 1 2 336.479 3.150 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029463528 1340996360 /nfs/dbraw/zinc/99/63/60/1340996360.db2.gz ZTWINMGDMSAUAW-MXEMCNAFSA-N 1 2 336.479 3.150 20 30 EGEDLO O=C([C@@H]1C[C@H]1C1CCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029509918 1341003354 /nfs/dbraw/zinc/00/33/54/1341003354.db2.gz JEPMIAWOKLDFRZ-LNRXMEIDSA-N 1 2 348.490 3.150 20 30 EGEDLO O=C([C@@H]1C[C@H]1C1CCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029509918 1341003355 /nfs/dbraw/zinc/00/33/55/1341003355.db2.gz JEPMIAWOKLDFRZ-LNRXMEIDSA-N 1 2 348.490 3.150 20 30 EGEDLO CC[C@@]1(C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001029537938 1341008164 /nfs/dbraw/zinc/00/81/64/1341008164.db2.gz RKEQUMOGBHLRDC-HDAAZOAOSA-N 1 2 337.467 3.170 20 30 EGEDLO CC[C@@]1(C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001029537938 1341008165 /nfs/dbraw/zinc/00/81/65/1341008165.db2.gz RKEQUMOGBHLRDC-HDAAZOAOSA-N 1 2 337.467 3.170 20 30 EGEDLO CC(C)c1ccc([C@@H](C)[NH+]2CC(NC(=O)c3cc(C#N)c[nH]3)C2)cc1 ZINC001030195824 1341171248 /nfs/dbraw/zinc/17/12/48/1341171248.db2.gz IUOSQMVTZLAXJH-CQSZACIVSA-N 1 2 336.439 3.185 20 30 EGEDLO C=CCn1cccc1C(=O)NC1C[NH+](Cc2ccc3ccccc3c2)C1 ZINC001030447864 1341188567 /nfs/dbraw/zinc/18/85/67/1341188567.db2.gz OUBVCACPRXWDCE-UHFFFAOYSA-N 1 2 345.446 3.442 20 30 EGEDLO CC[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](CC#Cc1ccccc1Cl)C2 ZINC001072482712 1355305865 /nfs/dbraw/zinc/30/58/65/1355305865.db2.gz UNXFPVURFOMABC-MRXNPFEDSA-N 1 2 344.886 3.272 20 30 EGEDLO CC[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](CC#Cc1ccccc1Cl)C2 ZINC001072482712 1355305867 /nfs/dbraw/zinc/30/58/67/1355305867.db2.gz UNXFPVURFOMABC-MRXNPFEDSA-N 1 2 344.886 3.272 20 30 EGEDLO C[C@@H]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031942186 1341428106 /nfs/dbraw/zinc/42/81/06/1341428106.db2.gz XSTBXADPUWEWDO-KDOFPFPSSA-N 1 2 343.446 3.072 20 30 EGEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001032143165 1341462455 /nfs/dbraw/zinc/46/24/55/1341462455.db2.gz OJQAOTPYALTRCO-UHFFFAOYSA-N 1 2 338.838 3.053 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC001032146338 1341463334 /nfs/dbraw/zinc/46/33/34/1341463334.db2.gz NPIDNRAYKHSJLX-UHFFFAOYSA-N 1 2 332.753 3.120 20 30 EGEDLO Cc1cccc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)c1C ZINC001032165616 1341467023 /nfs/dbraw/zinc/46/70/23/1341467023.db2.gz PJJLHXGSMDBCLZ-UHFFFAOYSA-N 1 2 332.447 3.017 20 30 EGEDLO O=C(C=C1CCCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032305242 1341492951 /nfs/dbraw/zinc/49/29/51/1341492951.db2.gz PPZXCWBGDSGTOY-SFTDATJTSA-N 1 2 334.463 3.214 20 30 EGEDLO O=C(C=C1CCCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032305242 1341492952 /nfs/dbraw/zinc/49/29/52/1341492952.db2.gz PPZXCWBGDSGTOY-SFTDATJTSA-N 1 2 334.463 3.214 20 30 EGEDLO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sc(C)nc1CC(C)C ZINC001032502120 1341524118 /nfs/dbraw/zinc/52/41/18/1341524118.db2.gz LYYRLCHZDCFSNZ-GJZGRUSLSA-N 1 2 333.501 3.125 20 30 EGEDLO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sc(C)nc1CC(C)C ZINC001032502120 1341524119 /nfs/dbraw/zinc/52/41/19/1341524119.db2.gz LYYRLCHZDCFSNZ-GJZGRUSLSA-N 1 2 333.501 3.125 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCc2c1cc(F)cc2F ZINC001032562628 1341540945 /nfs/dbraw/zinc/54/09/45/1341540945.db2.gz ZRRRGFRTPUAJEG-SUNYJGFJSA-N 1 2 346.421 3.449 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCc2c1cc(F)cc2F ZINC001032562628 1341540946 /nfs/dbraw/zinc/54/09/46/1341540946.db2.gz ZRRRGFRTPUAJEG-SUNYJGFJSA-N 1 2 346.421 3.449 20 30 EGEDLO Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)c(F)c1 ZINC001032646431 1341569294 /nfs/dbraw/zinc/56/92/94/1341569294.db2.gz OJLLBNRDVQZUKU-ROUUACIJSA-N 1 2 349.409 3.105 20 30 EGEDLO Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)c(F)c1 ZINC001032646431 1341569295 /nfs/dbraw/zinc/56/92/95/1341569295.db2.gz OJLLBNRDVQZUKU-ROUUACIJSA-N 1 2 349.409 3.105 20 30 EGEDLO CCc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)cc1 ZINC001032762528 1341605548 /nfs/dbraw/zinc/60/55/48/1341605548.db2.gz PETFMOMXEKFPPR-SFTDATJTSA-N 1 2 345.446 3.220 20 30 EGEDLO CCc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)cc1 ZINC001032762528 1341605549 /nfs/dbraw/zinc/60/55/49/1341605549.db2.gz PETFMOMXEKFPPR-SFTDATJTSA-N 1 2 345.446 3.220 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC3CCC2CC3)c1 ZINC001032806925 1341620484 /nfs/dbraw/zinc/62/04/84/1341620484.db2.gz VRJGOGNFDIUCNL-XWRUTKGUSA-N 1 2 349.478 3.170 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC3CCC2CC3)c1 ZINC001032806925 1341620486 /nfs/dbraw/zinc/62/04/86/1341620486.db2.gz VRJGOGNFDIUCNL-XWRUTKGUSA-N 1 2 349.478 3.170 20 30 EGEDLO Cc1cccc(F)c1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032818193 1341625968 /nfs/dbraw/zinc/62/59/68/1341625968.db2.gz AVMNWDAJMJUTLH-ROUUACIJSA-N 1 2 349.409 3.105 20 30 EGEDLO Cc1cccc(F)c1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032818193 1341625969 /nfs/dbraw/zinc/62/59/69/1341625969.db2.gz AVMNWDAJMJUTLH-ROUUACIJSA-N 1 2 349.409 3.105 20 30 EGEDLO CN(C(=O)C1=CCCC1)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033005639 1341693956 /nfs/dbraw/zinc/69/39/56/1341693956.db2.gz SBVZBQBNBGFLRW-GOSISDBHSA-N 1 2 342.870 3.335 20 30 EGEDLO CN(C(=O)C1=CCCC1)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033005639 1341693957 /nfs/dbraw/zinc/69/39/57/1341693957.db2.gz SBVZBQBNBGFLRW-GOSISDBHSA-N 1 2 342.870 3.335 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3ccc(OC)cc32)C1 ZINC001033149366 1341740158 /nfs/dbraw/zinc/74/01/58/1341740158.db2.gz SPULSIRHQUNETI-NVXWUHKLSA-N 1 2 348.874 3.010 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3ccc(OC)cc32)C1 ZINC001033149366 1341740159 /nfs/dbraw/zinc/74/01/59/1341740159.db2.gz SPULSIRHQUNETI-NVXWUHKLSA-N 1 2 348.874 3.010 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2c(F)ccc(C)c2F)C1 ZINC001033386682 1341807000 /nfs/dbraw/zinc/80/70/00/1341807000.db2.gz CVHMZTHPCTYHKY-GFCCVEGCSA-N 1 2 328.790 3.172 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c(F)ccc(C)c2F)C1 ZINC001033386682 1341807002 /nfs/dbraw/zinc/80/70/02/1341807002.db2.gz CVHMZTHPCTYHKY-GFCCVEGCSA-N 1 2 328.790 3.172 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccn(C(C)C)n3)C2)CC1 ZINC001033388305 1341807460 /nfs/dbraw/zinc/80/74/60/1341807460.db2.gz BJZDUHYZEWBABV-LJQANCHMSA-N 1 2 344.503 3.243 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccn(C(C)C)n3)C2)CC1 ZINC001033388305 1341807461 /nfs/dbraw/zinc/80/74/61/1341807461.db2.gz BJZDUHYZEWBABV-LJQANCHMSA-N 1 2 344.503 3.243 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@H]2CC[N@H+](Cc3ncc(C4CC4)o3)C2)CC1 ZINC001033389942 1341808535 /nfs/dbraw/zinc/80/85/35/1341808535.db2.gz XKWRVEZVNXYHJE-KRWDZBQOSA-N 1 2 343.471 3.331 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ncc(C4CC4)o3)C2)CC1 ZINC001033389942 1341808536 /nfs/dbraw/zinc/80/85/36/1341808536.db2.gz XKWRVEZVNXYHJE-KRWDZBQOSA-N 1 2 343.471 3.331 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001033848883 1342043331 /nfs/dbraw/zinc/04/33/31/1342043331.db2.gz GJNAFDXHGGIZAZ-LSDHHAIUSA-N 1 2 338.883 3.143 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001033848883 1342043333 /nfs/dbraw/zinc/04/33/33/1342043333.db2.gz GJNAFDXHGGIZAZ-LSDHHAIUSA-N 1 2 338.883 3.143 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@@H+]([C@@H](C)c3nnc(C)o3)C2)CC1 ZINC001033952146 1342110389 /nfs/dbraw/zinc/11/03/89/1342110389.db2.gz ZIHQQYOBVGLUDG-YOEHRIQHSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@H+]([C@@H](C)c3nnc(C)o3)C2)CC1 ZINC001033952146 1342110390 /nfs/dbraw/zinc/11/03/90/1342110390.db2.gz ZIHQQYOBVGLUDG-YOEHRIQHSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3cc[nH]c3c2)C1 ZINC001033974493 1342124594 /nfs/dbraw/zinc/12/45/94/1342124594.db2.gz HYCTZFFDEGLACI-MRXNPFEDSA-N 1 2 331.847 3.457 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3cc[nH]c3c2)C1 ZINC001033974493 1342124595 /nfs/dbraw/zinc/12/45/95/1342124595.db2.gz HYCTZFFDEGLACI-MRXNPFEDSA-N 1 2 331.847 3.457 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001033977435 1342125844 /nfs/dbraw/zinc/12/58/44/1342125844.db2.gz YYUBYTHDDUMKCW-RBUKOAKNSA-N 1 2 346.902 3.467 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001033977435 1342125848 /nfs/dbraw/zinc/12/58/48/1342125848.db2.gz YYUBYTHDDUMKCW-RBUKOAKNSA-N 1 2 346.902 3.467 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001033981838 1342128557 /nfs/dbraw/zinc/12/85/57/1342128557.db2.gz LLMQNBFLBZJVNN-KSZLIROESA-N 1 2 332.875 3.465 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001033981838 1342128558 /nfs/dbraw/zinc/12/85/58/1342128558.db2.gz LLMQNBFLBZJVNN-KSZLIROESA-N 1 2 332.875 3.465 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc3nc(C)[nH]c32)C1 ZINC001034020308 1342157894 /nfs/dbraw/zinc/15/78/94/1342157894.db2.gz ZBTKKCLZHXWSLH-CQSZACIVSA-N 1 2 346.862 3.160 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc3nc(C)[nH]c32)C1 ZINC001034020308 1342157896 /nfs/dbraw/zinc/15/78/96/1342157896.db2.gz ZBTKKCLZHXWSLH-CQSZACIVSA-N 1 2 346.862 3.160 20 30 EGEDLO CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2sc(Cl)nc2Cl)C1 ZINC001034042915 1342184131 /nfs/dbraw/zinc/18/41/31/1342184131.db2.gz VQGNHVAICAIYHD-SNVBAGLBSA-N 1 2 346.283 3.010 20 30 EGEDLO CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2sc(Cl)nc2Cl)C1 ZINC001034042915 1342184133 /nfs/dbraw/zinc/18/41/33/1342184133.db2.gz VQGNHVAICAIYHD-SNVBAGLBSA-N 1 2 346.283 3.010 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)C[C@H]2C=CCC2)C1 ZINC001034089387 1342226310 /nfs/dbraw/zinc/22/63/10/1342226310.db2.gz CEGLNHQAYZORFC-LSDHHAIUSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)C[C@H]2C=CCC2)C1 ZINC001034089387 1342226312 /nfs/dbraw/zinc/22/63/12/1342226312.db2.gz CEGLNHQAYZORFC-LSDHHAIUSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)c2coc(C)c2)C1 ZINC001034185539 1342303842 /nfs/dbraw/zinc/30/38/42/1342303842.db2.gz XLIWMGOVYOYHTO-AWEZNQCLSA-N 1 2 341.249 3.081 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)c2coc(C)c2)C1 ZINC001034185539 1342303843 /nfs/dbraw/zinc/30/38/43/1342303843.db2.gz XLIWMGOVYOYHTO-AWEZNQCLSA-N 1 2 341.249 3.081 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)C2(C3CC3)CC2)C1 ZINC001034259093 1342352847 /nfs/dbraw/zinc/35/28/47/1342352847.db2.gz OBXQAMWXGGQIQA-AWEZNQCLSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)C2(C3CC3)CC2)C1 ZINC001034259093 1342352849 /nfs/dbraw/zinc/35/28/49/1342352849.db2.gz OBXQAMWXGGQIQA-AWEZNQCLSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2oc(C3CC3)nc2C)C1 ZINC001034432997 1342495219 /nfs/dbraw/zinc/49/52/19/1342495219.db2.gz MBQASRQCEZOZHV-AWEZNQCLSA-N 1 2 337.851 3.197 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2oc(C3CC3)nc2C)C1 ZINC001034432997 1342495223 /nfs/dbraw/zinc/49/52/23/1342495223.db2.gz MBQASRQCEZOZHV-AWEZNQCLSA-N 1 2 337.851 3.197 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2occ3c2CCCC3)C1 ZINC001034509087 1342568109 /nfs/dbraw/zinc/56/81/09/1342568109.db2.gz XVTHTLNBUFXRJV-HNNXBMFYSA-N 1 2 336.863 3.495 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2occ3c2CCCC3)C1 ZINC001034509087 1342568114 /nfs/dbraw/zinc/56/81/14/1342568114.db2.gz XVTHTLNBUFXRJV-HNNXBMFYSA-N 1 2 336.863 3.495 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(CCC)c(C)s2)C1 ZINC001035600901 1343098316 /nfs/dbraw/zinc/09/83/16/1343098316.db2.gz SYCOQXIKWCRKDQ-INIZCTEOSA-N 1 2 336.501 3.016 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(CCC)c(C)s2)C1 ZINC001035600901 1343098320 /nfs/dbraw/zinc/09/83/20/1343098320.db2.gz SYCOQXIKWCRKDQ-INIZCTEOSA-N 1 2 336.501 3.016 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccnc(C3CC3)c1)CC2 ZINC001035743378 1343163716 /nfs/dbraw/zinc/16/37/16/1343163716.db2.gz ILUBHQZYRJWNBL-UHFFFAOYSA-N 1 2 345.874 3.250 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccc(C)c(F)c1)CC2 ZINC001035745535 1343165492 /nfs/dbraw/zinc/16/54/92/1343165492.db2.gz NFVWXLQKFCQTSO-UHFFFAOYSA-N 1 2 336.838 3.425 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1Cc3ccc(F)cc31)CC2 ZINC001035779659 1343190312 /nfs/dbraw/zinc/19/03/12/1343190312.db2.gz UMMRIYTUBTXTQU-QGZVFWFLSA-N 1 2 348.849 3.142 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1Cc3ccc(F)cc31)CC2 ZINC001035779657 1343190323 /nfs/dbraw/zinc/19/03/23/1343190323.db2.gz UMMRIYTUBTXTQU-KRWDZBQOSA-N 1 2 348.849 3.142 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cc(F)cc(F)c1)CC2 ZINC001035846393 1343227131 /nfs/dbraw/zinc/22/71/31/1343227131.db2.gz LHCBPFSVHQWOPT-UHFFFAOYSA-N 1 2 340.801 3.255 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)CC(C1CC1)C1CC1)CC2 ZINC001035855925 1343232644 /nfs/dbraw/zinc/23/26/44/1343232644.db2.gz CYCLXWCYNKUAPL-UHFFFAOYSA-N 1 2 336.907 3.490 20 30 EGEDLO CC(C)c1ccoc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038628464 1344510871 /nfs/dbraw/zinc/51/08/71/1344510871.db2.gz RFHNHAYNJSTYGA-KRWDZBQOSA-N 1 2 337.423 3.279 20 30 EGEDLO CC(C)c1ccoc1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038628464 1344510873 /nfs/dbraw/zinc/51/08/73/1344510873.db2.gz RFHNHAYNJSTYGA-KRWDZBQOSA-N 1 2 337.423 3.279 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(OC)c(F)c2)CC1 ZINC001038663109 1344528544 /nfs/dbraw/zinc/52/85/44/1344528544.db2.gz YKHOOSBLXCGAFN-KRWDZBQOSA-N 1 2 346.446 3.271 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(OC)c(F)c2)CC1 ZINC001038663109 1344528547 /nfs/dbraw/zinc/52/85/47/1344528547.db2.gz YKHOOSBLXCGAFN-KRWDZBQOSA-N 1 2 346.446 3.271 20 30 EGEDLO CCc1ccsc1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001039044995 1344731681 /nfs/dbraw/zinc/73/16/81/1344731681.db2.gz CPVFRJUDLSKGPB-QGZVFWFLSA-N 1 2 339.464 3.186 20 30 EGEDLO CCc1ccsc1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001039044995 1344731685 /nfs/dbraw/zinc/73/16/85/1344731685.db2.gz CPVFRJUDLSKGPB-QGZVFWFLSA-N 1 2 339.464 3.186 20 30 EGEDLO C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(F)C(F)(F)F ZINC001039275773 1344993133 /nfs/dbraw/zinc/99/31/33/1344993133.db2.gz BNXABPZMPUTJCC-FGNRJIRKSA-N 1 2 342.764 3.141 20 30 EGEDLO C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](F)C(F)(F)F ZINC001039275773 1344993137 /nfs/dbraw/zinc/99/31/37/1344993137.db2.gz BNXABPZMPUTJCC-FGNRJIRKSA-N 1 2 342.764 3.141 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CC ZINC001039335120 1345019650 /nfs/dbraw/zinc/01/96/50/1345019650.db2.gz RTPQYGGFQOTEMH-BNOWGMLFSA-N 1 2 329.282 3.006 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CC ZINC001039335120 1345019652 /nfs/dbraw/zinc/01/96/52/1345019652.db2.gz RTPQYGGFQOTEMH-BNOWGMLFSA-N 1 2 329.282 3.006 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC1(C)C ZINC001039358166 1345027338 /nfs/dbraw/zinc/02/73/38/1345027338.db2.gz IKZBFORWUBALQC-HZSPNIEDSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC1(C)C ZINC001039358166 1345027342 /nfs/dbraw/zinc/02/73/42/1345027342.db2.gz IKZBFORWUBALQC-HZSPNIEDSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccsc1 ZINC001039386942 1345039512 /nfs/dbraw/zinc/03/95/12/1345039512.db2.gz LGXHBHVPWMJMCV-CVEARBPZSA-N 1 2 338.904 3.499 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccsc1 ZINC001039386942 1345039514 /nfs/dbraw/zinc/03/95/14/1345039514.db2.gz LGXHBHVPWMJMCV-CVEARBPZSA-N 1 2 338.904 3.499 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1occ2c1CCC2 ZINC001039411719 1345054173 /nfs/dbraw/zinc/05/41/73/1345054173.db2.gz HCCHDSJVNWLPNF-CABCVRRESA-N 1 2 334.847 3.200 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1occ2c1CCC2 ZINC001039411719 1345054176 /nfs/dbraw/zinc/05/41/76/1345054176.db2.gz HCCHDSJVNWLPNF-CABCVRRESA-N 1 2 334.847 3.200 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)[nH]1 ZINC001039430945 1345064568 /nfs/dbraw/zinc/06/45/68/1345064568.db2.gz CBKVGGYMYGDUTP-NEPJUHHUSA-N 1 2 328.243 3.100 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)[nH]1 ZINC001039430945 1345064570 /nfs/dbraw/zinc/06/45/70/1345064570.db2.gz CBKVGGYMYGDUTP-NEPJUHHUSA-N 1 2 328.243 3.100 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCCCO1 ZINC001039444848 1345070147 /nfs/dbraw/zinc/07/01/47/1345070147.db2.gz VMEQDRFOKCYPEF-IXDOHACOSA-N 1 2 340.895 3.154 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCCCO1 ZINC001039444848 1345070156 /nfs/dbraw/zinc/07/01/56/1345070156.db2.gz VMEQDRFOKCYPEF-IXDOHACOSA-N 1 2 340.895 3.154 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)c1cccnc1 ZINC001039447436 1345071795 /nfs/dbraw/zinc/07/17/95/1345071795.db2.gz MVIWBFUDXQLZPX-OLMNPRSZSA-N 1 2 347.890 3.393 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)c1cccnc1 ZINC001039447436 1345071798 /nfs/dbraw/zinc/07/17/98/1345071798.db2.gz MVIWBFUDXQLZPX-OLMNPRSZSA-N 1 2 347.890 3.393 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)cn1 ZINC001039461049 1345079901 /nfs/dbraw/zinc/07/99/01/1345079901.db2.gz UAQYOUOMZROBAE-KGLIPLIRSA-N 1 2 340.254 3.166 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)cn1 ZINC001039461049 1345079905 /nfs/dbraw/zinc/07/99/05/1345079905.db2.gz UAQYOUOMZROBAE-KGLIPLIRSA-N 1 2 340.254 3.166 20 30 EGEDLO CC1(C)C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001039546099 1345139734 /nfs/dbraw/zinc/13/97/34/1345139734.db2.gz SNJWJDOKGXAXGW-CEXWTWQISA-N 1 2 337.467 3.170 20 30 EGEDLO CC1(C)C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001039546099 1345139738 /nfs/dbraw/zinc/13/97/38/1345139738.db2.gz SNJWJDOKGXAXGW-CEXWTWQISA-N 1 2 337.467 3.170 20 30 EGEDLO C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3C/C=C/Cl)cc1 ZINC001039817297 1345198462 /nfs/dbraw/zinc/19/84/62/1345198462.db2.gz VIOJWEWSXSLIHX-FBCYCHLGSA-N 1 2 328.843 3.099 20 30 EGEDLO C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3C/C=C/Cl)cc1 ZINC001039817297 1345198465 /nfs/dbraw/zinc/19/84/65/1345198465.db2.gz VIOJWEWSXSLIHX-FBCYCHLGSA-N 1 2 328.843 3.099 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccccc3)C[C@@H]21 ZINC001041909600 1345892630 /nfs/dbraw/zinc/89/26/30/1345892630.db2.gz KLESTILZFYHZED-HOCLYGCPSA-N 1 2 349.272 3.132 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccccc3)C[C@@H]21 ZINC001041909600 1345892633 /nfs/dbraw/zinc/89/26/33/1345892633.db2.gz KLESTILZFYHZED-HOCLYGCPSA-N 1 2 349.272 3.132 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2CCN(C(=O)C(F)=C(C)C)C[C@@H]21 ZINC001042012492 1345925330 /nfs/dbraw/zinc/92/53/30/1345925330.db2.gz HZULZBHDLCEDPN-STQMWFEESA-N 1 2 345.256 3.081 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CCN(C(=O)C(F)=C(C)C)C[C@@H]21 ZINC001042012492 1345925331 /nfs/dbraw/zinc/92/53/31/1345925331.db2.gz HZULZBHDLCEDPN-STQMWFEESA-N 1 2 345.256 3.081 20 30 EGEDLO C=CCC[N@H+]1CC[C@H]2CCN(C(=O)c3c(Cl)[nH]nc3C3CC3)C[C@H]21 ZINC001042091080 1345941653 /nfs/dbraw/zinc/94/16/53/1345941653.db2.gz QCWRQQZXAYCNIH-GXTWGEPZSA-N 1 2 348.878 3.053 20 30 EGEDLO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3c(Cl)[nH]nc3C3CC3)C[C@H]21 ZINC001042091080 1345941654 /nfs/dbraw/zinc/94/16/54/1345941654.db2.gz QCWRQQZXAYCNIH-GXTWGEPZSA-N 1 2 348.878 3.053 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3c(C)onc3C3CC3)C[C@H]21 ZINC001042156575 1345958811 /nfs/dbraw/zinc/95/88/11/1345958811.db2.gz UUMIKCCYUIEAIG-UKRRQHHQSA-N 1 2 349.862 3.149 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c(C)onc3C3CC3)C[C@H]21 ZINC001042156575 1345958812 /nfs/dbraw/zinc/95/88/12/1345958812.db2.gz UUMIKCCYUIEAIG-UKRRQHHQSA-N 1 2 349.862 3.149 20 30 EGEDLO C=C(C)CC[NH+]1CC(N(C)C(=O)c2sc(Cl)nc2Cl)C1 ZINC001044300789 1346294143 /nfs/dbraw/zinc/29/41/43/1346294143.db2.gz SOZPCLCJQCXVQL-UHFFFAOYSA-N 1 2 334.272 3.172 20 30 EGEDLO C=C1CCC(C(=O)NC2(C)CC[NH+](Cc3ncc(C)o3)CC2)CC1 ZINC001045545634 1346626085 /nfs/dbraw/zinc/62/60/85/1346626085.db2.gz IJCVSDMDQSELQU-UHFFFAOYSA-N 1 2 331.460 3.200 20 30 EGEDLO C=C1CCC(C(=O)NC2(C)CC[NH+]([C@H](C)c3nc(C)no3)CC2)CC1 ZINC001045545593 1346626094 /nfs/dbraw/zinc/62/60/94/1346626094.db2.gz GKMIMIQSPTUEDF-CQSZACIVSA-N 1 2 346.475 3.156 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001046338342 1346939527 /nfs/dbraw/zinc/93/95/27/1346939527.db2.gz SXWHAWPKNGIUIN-SFHVURJKSA-N 1 2 336.863 3.259 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001046338342 1346939529 /nfs/dbraw/zinc/93/95/29/1346939529.db2.gz SXWHAWPKNGIUIN-SFHVURJKSA-N 1 2 336.863 3.259 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3cc(C)ccc3O2)C1 ZINC001046484479 1346991400 /nfs/dbraw/zinc/99/14/00/1346991400.db2.gz LDVWTRKCKJFAKF-MJGOQNOKSA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3cc(C)ccc3O2)C1 ZINC001046484479 1346991403 /nfs/dbraw/zinc/99/14/03/1346991403.db2.gz LDVWTRKCKJFAKF-MJGOQNOKSA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2COc3cc(C)c(C)cc32)C1 ZINC001046514076 1347000660 /nfs/dbraw/zinc/00/06/60/1347000660.db2.gz BTTNIOZOFDNRRR-VQIMIIECSA-N 1 2 348.874 3.113 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2COc3cc(C)c(C)cc32)C1 ZINC001046514076 1347000662 /nfs/dbraw/zinc/00/06/62/1347000662.db2.gz BTTNIOZOFDNRRR-VQIMIIECSA-N 1 2 348.874 3.113 20 30 EGEDLO C[C@]1(NC(=O)c2occ3c2CCC3)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046512618 1347000713 /nfs/dbraw/zinc/00/07/13/1347000713.db2.gz IBXZBSLTLHRBJG-NRFANRHFSA-N 1 2 349.434 3.034 20 30 EGEDLO C[C@]1(NC(=O)c2occ3c2CCC3)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046512618 1347000716 /nfs/dbraw/zinc/00/07/16/1347000716.db2.gz IBXZBSLTLHRBJG-NRFANRHFSA-N 1 2 349.434 3.034 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C(C)(C)C(F)(F)F)CC[C@@H]1C ZINC001132446486 1375391327 /nfs/dbraw/zinc/39/13/27/1375391327.db2.gz YYFKCKLZWKOOMS-WDEREUQCSA-N 1 2 326.790 3.297 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C(C)(C)C(F)(F)F)CC[C@@H]1C ZINC001132446486 1375391335 /nfs/dbraw/zinc/39/13/35/1375391335.db2.gz YYFKCKLZWKOOMS-WDEREUQCSA-N 1 2 326.790 3.297 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc3ccn(C)c3c2)C1 ZINC001046754540 1347086125 /nfs/dbraw/zinc/08/61/25/1347086125.db2.gz QQCQIMFWOWNAMO-GOSISDBHSA-N 1 2 331.847 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3ccn(C)c3c2)C1 ZINC001046754540 1347086128 /nfs/dbraw/zinc/08/61/28/1347086128.db2.gz QQCQIMFWOWNAMO-GOSISDBHSA-N 1 2 331.847 3.125 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)C2CCC=CCC2)C1 ZINC001046831710 1347122598 /nfs/dbraw/zinc/12/25/98/1347122598.db2.gz QNERVUDTGUYAAT-MRXNPFEDSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)C2CCC=CCC2)C1 ZINC001046831710 1347122606 /nfs/dbraw/zinc/12/26/06/1347122606.db2.gz QNERVUDTGUYAAT-MRXNPFEDSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(N(C)C(C)C)cc2)C1 ZINC001046870762 1347140345 /nfs/dbraw/zinc/14/03/45/1347140345.db2.gz QSQUKRGMKRULQP-IBGZPJMESA-N 1 2 349.906 3.478 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(N(C)C(C)C)cc2)C1 ZINC001046870762 1347140347 /nfs/dbraw/zinc/14/03/47/1347140347.db2.gz QSQUKRGMKRULQP-IBGZPJMESA-N 1 2 349.906 3.478 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2C(C)(C)C2(C)C)C1 ZINC001046929008 1347155785 /nfs/dbraw/zinc/15/57/85/1347155785.db2.gz NPMKTFBJMKOVCF-LBPRGKRZSA-N 1 2 348.865 3.495 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C2C(C)(C)C2(C)C)C1 ZINC001046929008 1347155786 /nfs/dbraw/zinc/15/57/86/1347155786.db2.gz NPMKTFBJMKOVCF-LBPRGKRZSA-N 1 2 348.865 3.495 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC23CC3)C1 ZINC001046952379 1347161541 /nfs/dbraw/zinc/16/15/41/1347161541.db2.gz REFYPOWCYAGIPF-UONOGXRCSA-N 1 2 346.849 3.393 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC23CC3)C1 ZINC001046952379 1347161543 /nfs/dbraw/zinc/16/15/43/1347161543.db2.gz REFYPOWCYAGIPF-UONOGXRCSA-N 1 2 346.849 3.393 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC23CC3)C1 ZINC001046952378 1347161704 /nfs/dbraw/zinc/16/17/04/1347161704.db2.gz REFYPOWCYAGIPF-KGLIPLIRSA-N 1 2 346.849 3.393 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC23CC3)C1 ZINC001046952378 1347161705 /nfs/dbraw/zinc/16/17/05/1347161705.db2.gz REFYPOWCYAGIPF-KGLIPLIRSA-N 1 2 346.849 3.393 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)CC ZINC001049343361 1347798664 /nfs/dbraw/zinc/79/86/64/1347798664.db2.gz JVRFHBJBQUXUKP-FPMFFAJLSA-N 1 2 329.282 3.006 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)CC ZINC001049343361 1347798667 /nfs/dbraw/zinc/79/86/67/1347798667.db2.gz JVRFHBJBQUXUKP-FPMFFAJLSA-N 1 2 329.282 3.006 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccon1 ZINC001049505178 1347882240 /nfs/dbraw/zinc/88/22/40/1347882240.db2.gz OPXUJZZJHMGVQT-HUUCEWRRSA-N 1 2 337.851 3.019 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ccon1 ZINC001049505178 1347882242 /nfs/dbraw/zinc/88/22/42/1347882242.db2.gz OPXUJZZJHMGVQT-HUUCEWRRSA-N 1 2 337.851 3.019 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccon1 ZINC001049505179 1347882627 /nfs/dbraw/zinc/88/26/27/1347882627.db2.gz OPXUJZZJHMGVQT-LSDHHAIUSA-N 1 2 337.851 3.019 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ccon1 ZINC001049505179 1347882629 /nfs/dbraw/zinc/88/26/29/1347882629.db2.gz OPXUJZZJHMGVQT-LSDHHAIUSA-N 1 2 337.851 3.019 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ncc(Cl)s1 ZINC001049589619 1347925071 /nfs/dbraw/zinc/92/50/71/1347925071.db2.gz OMYROPRHSGHUMJ-QWRGUYRKSA-N 1 2 346.283 3.228 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ncc(Cl)s1 ZINC001049589619 1347925073 /nfs/dbraw/zinc/92/50/73/1347925073.db2.gz OMYROPRHSGHUMJ-QWRGUYRKSA-N 1 2 346.283 3.228 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ncc(CC)o1 ZINC001049633938 1347945557 /nfs/dbraw/zinc/94/55/57/1347945557.db2.gz NYHFCANILKURFR-SJORKVTESA-N 1 2 345.487 3.405 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ncc(CC)o1 ZINC001049633938 1347945560 /nfs/dbraw/zinc/94/55/60/1347945560.db2.gz NYHFCANILKURFR-SJORKVTESA-N 1 2 345.487 3.405 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1nccs1 ZINC001049692619 1347974851 /nfs/dbraw/zinc/97/48/51/1347974851.db2.gz HULLCQOYEBBTIJ-RLFYNMQTSA-N 1 2 333.501 3.311 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1nccs1 ZINC001049692619 1347974852 /nfs/dbraw/zinc/97/48/52/1347974852.db2.gz HULLCQOYEBBTIJ-RLFYNMQTSA-N 1 2 333.501 3.311 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1scnc1Cl ZINC001049902575 1348102130 /nfs/dbraw/zinc/10/21/30/1348102130.db2.gz UHBIKDFPRXYBMP-GHMZBOCLSA-N 1 2 346.283 3.228 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1scnc1Cl ZINC001049902575 1348102131 /nfs/dbraw/zinc/10/21/31/1348102131.db2.gz UHBIKDFPRXYBMP-GHMZBOCLSA-N 1 2 346.283 3.228 20 30 EGEDLO C[C@H]1C[C@H]1C(=O)NCc1ccccc1C[N@H+](C)Cc1ccccc1C#N ZINC001050242083 1348215623 /nfs/dbraw/zinc/21/56/23/1348215623.db2.gz NLAAQVAKNVIOSU-HRAATJIYSA-N 1 2 347.462 3.462 20 30 EGEDLO C[C@H]1C[C@H]1C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccccc1C#N ZINC001050242083 1348215627 /nfs/dbraw/zinc/21/56/27/1348215627.db2.gz NLAAQVAKNVIOSU-HRAATJIYSA-N 1 2 347.462 3.462 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(c3cc(C)[nH+]c(C4CC4)n3)[C@@H]2C)C1 ZINC001050979078 1348379950 /nfs/dbraw/zinc/37/99/50/1348379950.db2.gz UBFQHPZHUZYWND-ZBFHGGJFSA-N 1 2 340.471 3.102 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(CCCC)cc1 ZINC001051012413 1348383703 /nfs/dbraw/zinc/38/37/03/1348383703.db2.gz VHHLBNLYWYTTOY-IBGZPJMESA-N 1 2 330.472 3.036 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(CCCC)cc1 ZINC001051012413 1348383706 /nfs/dbraw/zinc/38/37/06/1348383706.db2.gz VHHLBNLYWYTTOY-IBGZPJMESA-N 1 2 330.472 3.036 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1csc2c1CCCC2 ZINC001051235435 1348407469 /nfs/dbraw/zinc/40/74/69/1348407469.db2.gz PJCDLRIZYOEDGC-HNNXBMFYSA-N 1 2 348.512 3.024 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1csc2c1CCCC2 ZINC001051235435 1348407470 /nfs/dbraw/zinc/40/74/70/1348407470.db2.gz PJCDLRIZYOEDGC-HNNXBMFYSA-N 1 2 348.512 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)c3ccns3)cccc2C1 ZINC001051290571 1348420800 /nfs/dbraw/zinc/42/08/00/1348420800.db2.gz YGMBFHVIYYSFDP-UHFFFAOYSA-N 1 2 347.871 3.184 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)c3ccns3)cccc2C1 ZINC001051290571 1348420803 /nfs/dbraw/zinc/42/08/03/1348420803.db2.gz YGMBFHVIYYSFDP-UHFFFAOYSA-N 1 2 347.871 3.184 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+]([C@@H](C)c3csnn3)CC2)CC1 ZINC001052681939 1348628660 /nfs/dbraw/zinc/62/86/60/1348628660.db2.gz KBLSBRLFHKIRLN-GOEBONIOSA-N 1 2 348.516 3.316 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)c3csnn3)CC2)CC1 ZINC001052681939 1348628662 /nfs/dbraw/zinc/62/86/62/1348628662.db2.gz KBLSBRLFHKIRLN-GOEBONIOSA-N 1 2 348.516 3.316 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3nc(C(C)C)no3)CC2)C1 ZINC001052689766 1348633709 /nfs/dbraw/zinc/63/37/09/1348633709.db2.gz JWBHMMOLTGNNAA-OAHLLOKOSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3nc(C(C)C)no3)CC2)C1 ZINC001052689766 1348633713 /nfs/dbraw/zinc/63/37/13/1348633713.db2.gz JWBHMMOLTGNNAA-OAHLLOKOSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001079946629 1357435149 /nfs/dbraw/zinc/43/51/49/1357435149.db2.gz VZUHTNKXRWNMJZ-BPLDGKMQSA-N 1 2 341.293 3.078 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001079946629 1357435151 /nfs/dbraw/zinc/43/51/51/1357435151.db2.gz VZUHTNKXRWNMJZ-BPLDGKMQSA-N 1 2 341.293 3.078 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001053504302 1349049060 /nfs/dbraw/zinc/04/90/60/1349049060.db2.gz HOVFCSYYOQKENU-OGWOLHLISA-N 1 2 330.476 3.284 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(CCCC)cc1)CO2 ZINC001053863637 1349119382 /nfs/dbraw/zinc/11/93/82/1349119382.db2.gz ORFACSLGVVVDLN-IBGZPJMESA-N 1 2 342.483 3.178 20 30 EGEDLO C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1c(F)cccc1F ZINC001054058937 1349140980 /nfs/dbraw/zinc/14/09/80/1349140980.db2.gz BHDOSPSUNTVXNE-INIZCTEOSA-N 1 2 342.389 3.308 20 30 EGEDLO C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1c(F)cccc1F ZINC001054058937 1349140982 /nfs/dbraw/zinc/14/09/82/1349140982.db2.gz BHDOSPSUNTVXNE-INIZCTEOSA-N 1 2 342.389 3.308 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc([C@@H]4C[C@H]4C)o3)cc2C1 ZINC001054264629 1349262802 /nfs/dbraw/zinc/26/28/02/1349262802.db2.gz NHPKYBDMBTZPDT-RDTXWAMCSA-N 1 2 334.419 3.282 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc([C@@H]4C[C@H]4C)o3)cc2C1 ZINC001054264629 1349262804 /nfs/dbraw/zinc/26/28/04/1349262804.db2.gz NHPKYBDMBTZPDT-RDTXWAMCSA-N 1 2 334.419 3.282 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[C@H]3C3CC3)cc2C1 ZINC001054275434 1349276057 /nfs/dbraw/zinc/27/60/57/1349276057.db2.gz QIDUNCZVLMHQDI-LEWJYISDSA-N 1 2 336.479 3.468 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[C@H]3C3CC3)cc2C1 ZINC001054275434 1349276062 /nfs/dbraw/zinc/27/60/62/1349276062.db2.gz QIDUNCZVLMHQDI-LEWJYISDSA-N 1 2 336.479 3.468 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3coc4ccc(F)cc34)cc2C1 ZINC001054290837 1349296430 /nfs/dbraw/zinc/29/64/30/1349296430.db2.gz XHYUDHGLDVYUBQ-UHFFFAOYSA-N 1 2 348.377 3.451 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3coc4ccc(F)cc34)cc2C1 ZINC001054290837 1349296432 /nfs/dbraw/zinc/29/64/32/1349296432.db2.gz XHYUDHGLDVYUBQ-UHFFFAOYSA-N 1 2 348.377 3.451 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c(F)ccc(F)c2Cl)C1 ZINC001080497892 1357644289 /nfs/dbraw/zinc/64/42/89/1357644289.db2.gz LHAIPNWWXXFHIA-PRHODGIISA-N 1 2 349.208 3.421 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c(F)ccc(F)c2Cl)C1 ZINC001080497892 1357644294 /nfs/dbraw/zinc/64/42/94/1357644294.db2.gz LHAIPNWWXXFHIA-PRHODGIISA-N 1 2 349.208 3.421 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@@H]([C@@H](C)Nc3cc[nH+]c(C)n3)C2)CC1 ZINC001065760660 1352852068 /nfs/dbraw/zinc/85/20/68/1352852068.db2.gz BBJCSXVFVNXTRW-RHSMWYFYSA-N 1 2 328.460 3.180 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@@H](Nc3cc[nH+]c(C)n3)[C@H]2C1 ZINC001069316403 1353999949 /nfs/dbraw/zinc/99/99/49/1353999949.db2.gz SFBCCOPYMOCRGD-HRCADAONSA-N 1 2 328.460 3.036 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C2CC=CC2)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC001071405113 1354668189 /nfs/dbraw/zinc/66/81/89/1354668189.db2.gz YVDZFNZVORKSLQ-KSSFIOAISA-N 1 2 341.430 3.133 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C2CC=CC2)C[N@H+]1Cc1cc(C#N)ccc1F ZINC001071405113 1354668194 /nfs/dbraw/zinc/66/81/94/1354668194.db2.gz YVDZFNZVORKSLQ-KSSFIOAISA-N 1 2 341.430 3.133 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C2(F)CCCC2)C[N@@H+]1Cc1ccccc1C#N ZINC001071625128 1354808426 /nfs/dbraw/zinc/80/84/26/1354808426.db2.gz MRTPDXMXLGKPKV-MAUKXSAKSA-N 1 2 343.446 3.310 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C2(F)CCCC2)C[N@H+]1Cc1ccccc1C#N ZINC001071625128 1354808432 /nfs/dbraw/zinc/80/84/32/1354808432.db2.gz MRTPDXMXLGKPKV-MAUKXSAKSA-N 1 2 343.446 3.310 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C(C)(C)c2cccnc2)CC[C@H]1C ZINC001071630947 1354813154 /nfs/dbraw/zinc/81/31/54/1354813154.db2.gz FXNLLOZVGACXMU-GDBMZVCRSA-N 1 2 335.879 3.081 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C(C)(C)c2cccnc2)CC[C@H]1C ZINC001071630947 1354813158 /nfs/dbraw/zinc/81/31/58/1354813158.db2.gz FXNLLOZVGACXMU-GDBMZVCRSA-N 1 2 335.879 3.081 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2ccc(F)c(F)c2)CC[C@H]1C ZINC001071775881 1354922902 /nfs/dbraw/zinc/92/29/02/1354922902.db2.gz JJEMVOHFVHQOMJ-OCCSQVGLSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2ccc(F)c(F)c2)CC[C@H]1C ZINC001071775881 1354922903 /nfs/dbraw/zinc/92/29/03/1354922903.db2.gz JJEMVOHFVHQOMJ-OCCSQVGLSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3ncc(C)s3)C2)C1 ZINC001071807446 1354951552 /nfs/dbraw/zinc/95/15/52/1354951552.db2.gz SDODNIGNTXJULQ-ZFWWWQNUSA-N 1 2 333.501 3.277 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3ncc(C)s3)C2)C1 ZINC001071807446 1354951559 /nfs/dbraw/zinc/95/15/59/1354951559.db2.gz SDODNIGNTXJULQ-ZFWWWQNUSA-N 1 2 333.501 3.277 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc3ccccn3c2)CC[C@H]1C ZINC001071859611 1354987095 /nfs/dbraw/zinc/98/70/95/1354987095.db2.gz AULZHCMYAGSKLL-GDBMZVCRSA-N 1 2 331.847 3.275 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc3ccccn3c2)CC[C@H]1C ZINC001071859611 1354987102 /nfs/dbraw/zinc/98/71/02/1354987102.db2.gz AULZHCMYAGSKLL-GDBMZVCRSA-N 1 2 331.847 3.275 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cnn(C(C)C)c2C)CC[C@@H]1C ZINC001071983102 1355058954 /nfs/dbraw/zinc/05/89/54/1355058954.db2.gz WJGDGXGBZXRDTI-ZFWWWQNUSA-N 1 2 338.883 3.108 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cnn(C(C)C)c2C)CC[C@@H]1C ZINC001071983102 1355058959 /nfs/dbraw/zinc/05/89/59/1355058959.db2.gz WJGDGXGBZXRDTI-ZFWWWQNUSA-N 1 2 338.883 3.108 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc(F)cc2F)CC[C@H]1C ZINC001072041346 1355099135 /nfs/dbraw/zinc/09/91/35/1355099135.db2.gz WZJQYWGDFAJFDK-YPMHNXCESA-N 1 2 328.790 3.300 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc(F)cc2F)CC[C@H]1C ZINC001072041346 1355099141 /nfs/dbraw/zinc/09/91/41/1355099141.db2.gz WZJQYWGDFAJFDK-YPMHNXCESA-N 1 2 328.790 3.300 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cn2ccc3ccccc32)CC[C@H]1C ZINC001072087622 1355120469 /nfs/dbraw/zinc/12/04/69/1355120469.db2.gz ALIHVPFIYRSQBF-NVXWUHKLSA-N 1 2 345.874 3.363 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cn2ccc3ccccc32)CC[C@H]1C ZINC001072087622 1355120471 /nfs/dbraw/zinc/12/04/71/1355120471.db2.gz ALIHVPFIYRSQBF-NVXWUHKLSA-N 1 2 345.874 3.363 20 30 EGEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCC3CCCCCC3)C[C@@H]21 ZINC001074300418 1356159361 /nfs/dbraw/zinc/15/93/61/1356159361.db2.gz UIZGPQMPBSSRNY-VQTJNVASSA-N 1 2 346.515 3.062 20 30 EGEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCC3CCCCCC3)C[C@@H]21 ZINC001074300418 1356159364 /nfs/dbraw/zinc/15/93/64/1356159364.db2.gz UIZGPQMPBSSRNY-VQTJNVASSA-N 1 2 346.515 3.062 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(CCC)cc3)C[C@H]21 ZINC001074326317 1356170868 /nfs/dbraw/zinc/17/08/68/1356170868.db2.gz CRNFKKIPUINXOT-UXHICEINSA-N 1 2 342.483 3.131 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(CCC)cc3)C[C@H]21 ZINC001074326317 1356170871 /nfs/dbraw/zinc/17/08/71/1356170871.db2.gz CRNFKKIPUINXOT-UXHICEINSA-N 1 2 342.483 3.131 20 30 EGEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3sccc3C(C)C)C[C@@H]21 ZINC001074413508 1356196244 /nfs/dbraw/zinc/19/62/44/1356196244.db2.gz UYDYKDSTWFEBCS-IRXDYDNUSA-N 1 2 348.512 3.363 20 30 EGEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3sccc3C(C)C)C[C@@H]21 ZINC001074413508 1356196246 /nfs/dbraw/zinc/19/62/46/1356196246.db2.gz UYDYKDSTWFEBCS-IRXDYDNUSA-N 1 2 348.512 3.363 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3nccc4ccsc43)[C@@H]2C1 ZINC001084423902 1358210594 /nfs/dbraw/zinc/21/05/94/1358210594.db2.gz GOUJUDCEEAPPOL-ZIAGYGMSSA-N 1 2 347.871 3.195 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3nccc4ccsc43)[C@@H]2C1 ZINC001084423902 1358210597 /nfs/dbraw/zinc/21/05/97/1358210597.db2.gz GOUJUDCEEAPPOL-ZIAGYGMSSA-N 1 2 347.871 3.195 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+]([C@H](C)c3ncc(C)o3)C[C@H]21 ZINC001084574252 1358241335 /nfs/dbraw/zinc/24/13/35/1358241335.db2.gz XHBXVEXTYDCKMB-BZUAXINKSA-N 1 2 331.460 3.179 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+]([C@H](C)c3ncc(C)o3)C[C@H]21 ZINC001084574252 1358241339 /nfs/dbraw/zinc/24/13/39/1358241339.db2.gz XHBXVEXTYDCKMB-BZUAXINKSA-N 1 2 331.460 3.179 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)c1cccc(F)c1 ZINC001085464094 1358519147 /nfs/dbraw/zinc/51/91/47/1358519147.db2.gz UOMLYIRDBHOZLK-HXUWFJFHSA-N 1 2 336.410 3.024 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)c1cccc(F)c1 ZINC001085464094 1358519150 /nfs/dbraw/zinc/51/91/50/1358519150.db2.gz UOMLYIRDBHOZLK-HXUWFJFHSA-N 1 2 336.410 3.024 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001085525186 1358562952 /nfs/dbraw/zinc/56/29/52/1358562952.db2.gz DBSSEJYIFZECGA-VIBAHUMZSA-N 1 2 343.496 3.089 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001085525186 1358562953 /nfs/dbraw/zinc/56/29/53/1358562953.db2.gz DBSSEJYIFZECGA-VIBAHUMZSA-N 1 2 343.496 3.089 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)c1[nH]ccc1C1CC1 ZINC001085635956 1358651028 /nfs/dbraw/zinc/65/10/28/1358651028.db2.gz FLJXZNIVKJHHON-LJQANCHMSA-N 1 2 347.462 3.090 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)c1[nH]ccc1C1CC1 ZINC001085635956 1358651031 /nfs/dbraw/zinc/65/10/31/1358651031.db2.gz FLJXZNIVKJHHON-LJQANCHMSA-N 1 2 347.462 3.090 20 30 EGEDLO C=CCn1cccc1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccccc1F ZINC001085641189 1358653490 /nfs/dbraw/zinc/65/34/90/1358653490.db2.gz GTKPOAXNCUPCDK-KRWDZBQOSA-N 1 2 341.430 3.160 20 30 EGEDLO C=CCn1cccc1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccccc1F ZINC001085641189 1358653494 /nfs/dbraw/zinc/65/34/94/1358653494.db2.gz GTKPOAXNCUPCDK-KRWDZBQOSA-N 1 2 341.430 3.160 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)c1cc[nH]c1C1CC1 ZINC001085787211 1358761326 /nfs/dbraw/zinc/76/13/26/1358761326.db2.gz IYGKJTVRDHDZLG-LJQANCHMSA-N 1 2 347.462 3.090 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)c1cc[nH]c1C1CC1 ZINC001085787211 1358761331 /nfs/dbraw/zinc/76/13/31/1358761331.db2.gz IYGKJTVRDHDZLG-LJQANCHMSA-N 1 2 347.462 3.090 20 30 EGEDLO Cc1cc(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)cs1 ZINC001085874694 1358838052 /nfs/dbraw/zinc/83/80/52/1358838052.db2.gz HMXUUHKAVBNQRG-IBGZPJMESA-N 1 2 338.476 3.255 20 30 EGEDLO Cc1cc(C(=O)N(C)C[C@@H]2CC[N@H+]2CC#Cc2ccccc2)cs1 ZINC001085874694 1358838056 /nfs/dbraw/zinc/83/80/56/1358838056.db2.gz HMXUUHKAVBNQRG-IBGZPJMESA-N 1 2 338.476 3.255 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1)C(=O)c1ccc(F)s1 ZINC001085997974 1358953945 /nfs/dbraw/zinc/95/39/45/1358953945.db2.gz JZKQSTHHFKIZDW-HNNXBMFYSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1)C(=O)c1ccc(F)s1 ZINC001085997974 1358953947 /nfs/dbraw/zinc/95/39/47/1358953947.db2.gz JZKQSTHHFKIZDW-HNNXBMFYSA-N 1 2 343.427 3.105 20 30 EGEDLO C=CCC[N@H+]1CC[C@H](NC(=O)c2n[nH]c3ccc(C)cc32)[C@H]1CC ZINC001087640019 1359566492 /nfs/dbraw/zinc/56/64/92/1359566492.db2.gz FGSYXIDBXZUANG-DLBZAZTESA-N 1 2 326.444 3.030 20 30 EGEDLO C=CCC[N@@H+]1CC[C@H](NC(=O)c2n[nH]c3ccc(C)cc32)[C@H]1CC ZINC001087640019 1359566495 /nfs/dbraw/zinc/56/64/95/1359566495.db2.gz FGSYXIDBXZUANG-DLBZAZTESA-N 1 2 326.444 3.030 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2ccsc2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088459265 1359920932 /nfs/dbraw/zinc/92/09/32/1359920932.db2.gz IMAAYONTTRPZNV-PXAZEXFGSA-N 1 2 343.427 3.152 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2ccsc2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088459265 1359920935 /nfs/dbraw/zinc/92/09/35/1359920935.db2.gz IMAAYONTTRPZNV-PXAZEXFGSA-N 1 2 343.427 3.152 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2Cc3ccc(Cl)cc32)[C@H]1C ZINC001089014002 1360136576 /nfs/dbraw/zinc/13/65/76/1360136576.db2.gz XIXSSWULBPJVCO-LYRGGWFBSA-N 1 2 339.266 3.311 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2Cc3ccc(Cl)cc32)[C@H]1C ZINC001089014002 1360136577 /nfs/dbraw/zinc/13/65/77/1360136577.db2.gz XIXSSWULBPJVCO-LYRGGWFBSA-N 1 2 339.266 3.311 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C23CC(C(F)(F)F)(C2)C3)[C@H]1C ZINC001089062933 1360153485 /nfs/dbraw/zinc/15/34/85/1360153485.db2.gz AZSPTYSJNUJUMQ-UJLSLHKQSA-N 1 2 336.785 3.051 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C23CC(C(F)(F)F)(C2)C3)[C@H]1C ZINC001089062933 1360153487 /nfs/dbraw/zinc/15/34/87/1360153487.db2.gz AZSPTYSJNUJUMQ-UJLSLHKQSA-N 1 2 336.785 3.051 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[C@H](C)N(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC001089129775 1360190906 /nfs/dbraw/zinc/19/09/06/1360190906.db2.gz RYTREWWNVKFPKH-HOCLYGCPSA-N 1 2 342.487 3.104 20 30 EGEDLO C=C(Br)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001089682756 1360588005 /nfs/dbraw/zinc/58/80/05/1360588005.db2.gz ILORJURPLDRUDU-MRVWCRGKSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001089682756 1360588009 /nfs/dbraw/zinc/58/80/09/1360588009.db2.gz ILORJURPLDRUDU-MRVWCRGKSA-N 1 2 343.309 3.158 20 30 EGEDLO Cc1nc(NCCCN(CC2CCCC2)C(=O)C#CC(C)C)cc[nH+]1 ZINC001090183737 1360862288 /nfs/dbraw/zinc/86/22/88/1360862288.db2.gz ZBPGLVHNMUNTPV-UHFFFAOYSA-N 1 2 342.487 3.265 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H](Nc2cc[nH+]c(C)n2)C12CCC2 ZINC001090619700 1360915727 /nfs/dbraw/zinc/91/57/27/1360915727.db2.gz CLRVXBWDWWCEFY-LSDHHAIUSA-N 1 2 328.460 3.227 20 30 EGEDLO CC(C)c1cc(N[C@H]2C[C@H](CNC(=O)[C@@H](C)C#N)C2)nc(C(C)C)[nH+]1 ZINC001091444914 1361100382 /nfs/dbraw/zinc/10/03/82/1361100382.db2.gz LDCOVRAYLCBVJP-KKUMJFAQSA-N 1 2 343.475 3.190 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)CC(C)(C)C1 ZINC001092087854 1361297657 /nfs/dbraw/zinc/29/76/57/1361297657.db2.gz GZNMIWSSBWICAX-NVXWUHKLSA-N 1 2 344.503 3.499 20 30 EGEDLO C#CCC1(C(=O)NCC2CC(Nc3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001092224015 1361330761 /nfs/dbraw/zinc/33/07/61/1361330761.db2.gz HNNIGVJQSIWGOK-UHFFFAOYSA-N 1 2 340.471 3.066 20 30 EGEDLO C=CC(C)(C)C(=O)NCC1CC(Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001092252089 1361342534 /nfs/dbraw/zinc/34/25/34/1361342534.db2.gz QYLRITZTDPJBAN-UHFFFAOYSA-N 1 2 330.476 3.427 20 30 EGEDLO C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001092625813 1361424867 /nfs/dbraw/zinc/42/48/67/1361424867.db2.gz DGWDVJDKLPMQJM-GDBMZVCRSA-N 1 2 330.476 3.284 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCC[C@H]3CCC)CC2)C1 ZINC001093548370 1361639467 /nfs/dbraw/zinc/63/94/67/1361639467.db2.gz BVDWEUDPSVKBDP-VQIMIIECSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCCC[C@@H]3CC)CC2)C1 ZINC001093587469 1361649674 /nfs/dbraw/zinc/64/96/74/1361649674.db2.gz RZDWFOPVSZOWAJ-FXAWDEMLSA-N 1 2 348.531 3.471 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@]3(C)CCC(C)=C(C)C3)CC2)C1 ZINC001093600178 1361654568 /nfs/dbraw/zinc/65/45/68/1361654568.db2.gz PBYIGZKVWYEJOZ-NRFANRHFSA-N 1 2 346.515 3.391 20 30 EGEDLO N#Cc1ccc(NC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001184749526 1387527979 /nfs/dbraw/zinc/52/79/79/1387527979.db2.gz KPSWTQATNRUGGE-UHFFFAOYSA-N 1 2 336.395 3.034 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001094701115 1361897039 /nfs/dbraw/zinc/89/70/39/1361897039.db2.gz CFOSSYYGKRJTNK-UHFFFAOYSA-N 1 2 330.476 3.184 20 30 EGEDLO Cc1cc(NCCCCCCNC(=O)C#CC(C)C)nc(C2CC2)[nH+]1 ZINC001094954397 1361959975 /nfs/dbraw/zinc/95/99/75/1361959975.db2.gz SFFKIXNNBMFZFF-UHFFFAOYSA-N 1 2 342.487 3.410 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1[C@@H]3CCCC[C@@H]31)C2 ZINC001095275048 1362079320 /nfs/dbraw/zinc/07/93/20/1362079320.db2.gz AROOIAQCTYZPTL-OFELHODLSA-N 1 2 349.478 3.216 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1[C@@H]3CCCC[C@@H]31)C2 ZINC001095275048 1362079322 /nfs/dbraw/zinc/07/93/22/1362079322.db2.gz AROOIAQCTYZPTL-OFELHODLSA-N 1 2 349.478 3.216 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001095311016 1362095015 /nfs/dbraw/zinc/09/50/15/1362095015.db2.gz KQEFEBRASIMGMF-MRXNPFEDSA-N 1 2 342.487 3.423 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[C@H]1CCCCO1)C2 ZINC001095428954 1362138032 /nfs/dbraw/zinc/13/80/32/1362138032.db2.gz WWXBPZNBCMBTNU-FXUDXRNXSA-N 1 2 340.895 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[C@H]1CCCCO1)C2 ZINC001095428954 1362138035 /nfs/dbraw/zinc/13/80/35/1362138035.db2.gz WWXBPZNBCMBTNU-FXUDXRNXSA-N 1 2 340.895 3.056 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095440807 1362142275 /nfs/dbraw/zinc/14/22/75/1362142275.db2.gz YHGBFUMSOFCFRK-INIZCTEOSA-N 1 2 330.476 3.089 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C(F)F)nc1)C2 ZINC001095512248 1362160205 /nfs/dbraw/zinc/16/02/05/1362160205.db2.gz PNCTZLUJDYGUSR-XBFCOCLRSA-N 1 2 341.789 3.107 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C(F)F)nc1)C2 ZINC001095512248 1362160206 /nfs/dbraw/zinc/16/02/06/1362160206.db2.gz PNCTZLUJDYGUSR-XBFCOCLRSA-N 1 2 341.789 3.107 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001095727814 1362214674 /nfs/dbraw/zinc/21/46/74/1362214674.db2.gz FHCMOSJBLFSCEO-FQEVSTJZSA-N 1 2 344.503 3.209 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3c1O[C@@H](C)C3)C2 ZINC001095779190 1362226567 /nfs/dbraw/zinc/22/65/67/1362226567.db2.gz PAZUILRNEARKLT-YVVXQTMVSA-N 1 2 346.858 3.098 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3c1O[C@@H](C)C3)C2 ZINC001095779190 1362226570 /nfs/dbraw/zinc/22/65/70/1362226570.db2.gz PAZUILRNEARKLT-YVVXQTMVSA-N 1 2 346.858 3.098 20 30 EGEDLO C#CCCCCC(=O)N1CCCC[C@H]1[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001095797770 1362232528 /nfs/dbraw/zinc/23/25/28/1362232528.db2.gz KMNLDGNVFBKGAI-WBVHZDCISA-N 1 2 328.460 3.160 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCCN(c1nc(C)[nH+]c(C)c1C)C1CC1 ZINC001096079930 1362373772 /nfs/dbraw/zinc/37/37/72/1362373772.db2.gz JAOJZXXPBBPLRP-UHFFFAOYSA-N 1 2 344.503 3.479 20 30 EGEDLO C#CCCCCC(=O)N(C)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001096103462 1362383699 /nfs/dbraw/zinc/38/36/99/1362383699.db2.gz RMMAYLISKWOALZ-UHFFFAOYSA-N 1 2 342.487 3.023 20 30 EGEDLO C=CC(C)(C)CC(=O)N(C)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001096116703 1362390574 /nfs/dbraw/zinc/39/05/74/1362390574.db2.gz JLWRUHLLPVJCMB-UHFFFAOYSA-N 1 2 344.503 3.431 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N(C)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001096124323 1362395014 /nfs/dbraw/zinc/39/50/14/1362395014.db2.gz OIAQQZYPDDRJIB-KGLIPLIRSA-N 1 2 344.503 3.287 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096219283 1362437603 /nfs/dbraw/zinc/43/76/03/1362437603.db2.gz WFNLKHYTMYSNPZ-INIZCTEOSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1sc(C)cc1C)C2 ZINC001096451496 1362516188 /nfs/dbraw/zinc/51/61/88/1362516188.db2.gz SNRBIKCDUCIHBH-ILXRZTDVSA-N 1 2 338.904 3.381 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1sc(C)cc1C)C2 ZINC001096451496 1362516193 /nfs/dbraw/zinc/51/61/93/1362516193.db2.gz SNRBIKCDUCIHBH-ILXRZTDVSA-N 1 2 338.904 3.381 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3oc(C)nc31)C2 ZINC001096634987 1362609118 /nfs/dbraw/zinc/60/91/18/1362609118.db2.gz FRSHEJJEGKWMSU-SNPRPXQTSA-N 1 2 345.830 3.224 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3oc(C)nc31)C2 ZINC001096634987 1362609120 /nfs/dbraw/zinc/60/91/20/1362609120.db2.gz FRSHEJJEGKWMSU-SNPRPXQTSA-N 1 2 345.830 3.224 20 30 EGEDLO Cc1cc(N[C@H]2C[C@H](NC(=O)C#CC(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC001097025890 1362814909 /nfs/dbraw/zinc/81/49/09/1362814909.db2.gz QHOBITPRBWSCFJ-SHTZXODSSA-N 1 2 328.460 3.017 20 30 EGEDLO C=CCCCC(=O)N[C@H]1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001097093861 1362839415 /nfs/dbraw/zinc/83/94/15/1362839415.db2.gz AHXTVSUYSLRATN-SHTZXODSSA-N 1 2 328.460 3.079 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097094956 1362840574 /nfs/dbraw/zinc/84/05/74/1362840574.db2.gz USQBMZJAMMMRAP-MZGVZZPPSA-N 1 2 328.460 3.180 20 30 EGEDLO CCCCCCCCOCC(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097110817 1362845927 /nfs/dbraw/zinc/84/59/27/1362845927.db2.gz LVJKSRUTRDPAKE-QAQDUYKDSA-N 1 2 348.491 3.221 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C(C)C)nc1)C2 ZINC001097219817 1362890331 /nfs/dbraw/zinc/89/03/31/1362890331.db2.gz MJGPLFYAJIDNCX-OIISXLGYSA-N 1 2 333.863 3.293 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C(C)C)nc1)C2 ZINC001097219817 1362890333 /nfs/dbraw/zinc/89/03/33/1362890333.db2.gz MJGPLFYAJIDNCX-OIISXLGYSA-N 1 2 333.863 3.293 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097237449 1362896527 /nfs/dbraw/zinc/89/65/27/1362896527.db2.gz BLFUJFBFDRNLCP-GASCZTMLSA-N 1 2 328.460 3.324 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3nc(C)oc3c1)C2 ZINC001097263273 1362905527 /nfs/dbraw/zinc/90/55/27/1362905527.db2.gz GDANTEDBOOEOHZ-BMFZPTHFSA-N 1 2 345.830 3.224 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3nc(C)oc3c1)C2 ZINC001097263273 1362905530 /nfs/dbraw/zinc/90/55/30/1362905530.db2.gz GDANTEDBOOEOHZ-BMFZPTHFSA-N 1 2 345.830 3.224 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1CCCCN1c1nc(C)[nH+]c(C)c1C ZINC001097451507 1362997797 /nfs/dbraw/zinc/99/77/97/1362997797.db2.gz ISYDRFGRWKJRHM-MSOLQXFVSA-N 1 2 344.503 3.479 20 30 EGEDLO C=CCCC(=O)N[C@H](C)[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097525321 1363039468 /nfs/dbraw/zinc/03/94/68/1363039468.db2.gz SGWNDXJWZCYDBA-NVXWUHKLSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3cccnc3c1)C2 ZINC001098062239 1363211793 /nfs/dbraw/zinc/21/17/93/1363211793.db2.gz QHDKFHUIBVFAPB-NXHRZFHOSA-N 1 2 341.842 3.322 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3cccnc3c1)C2 ZINC001098062239 1363211796 /nfs/dbraw/zinc/21/17/96/1363211796.db2.gz QHDKFHUIBVFAPB-NXHRZFHOSA-N 1 2 341.842 3.322 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(OCC)cc1)C2 ZINC001098304886 1363291916 /nfs/dbraw/zinc/29/19/16/1363291916.db2.gz PSXGVZXXAUYHIF-OIISXLGYSA-N 1 2 334.847 3.173 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(OCC)cc1)C2 ZINC001098304886 1363291921 /nfs/dbraw/zinc/29/19/21/1363291921.db2.gz PSXGVZXXAUYHIF-OIISXLGYSA-N 1 2 334.847 3.173 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001098570888 1363381820 /nfs/dbraw/zinc/38/18/20/1363381820.db2.gz NRHPHHGLHUNUPI-OAHLLOKOSA-N 1 2 328.460 3.279 20 30 EGEDLO Cc1nc(N[C@H]2CCC[C@@H](NC(=O)CC#Cc3ccccc3)C2)cc[nH+]1 ZINC001098625569 1363405186 /nfs/dbraw/zinc/40/51/86/1363405186.db2.gz UHEFMJLIXRXKEG-RBUKOAKNSA-N 1 2 348.450 3.066 20 30 EGEDLO C=C(Br)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)C ZINC001098905635 1363514790 /nfs/dbraw/zinc/51/47/90/1363514790.db2.gz PCVOWHIDXKAHTO-ZDUSSCGKSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)C ZINC001098905635 1363514792 /nfs/dbraw/zinc/51/47/92/1363514792.db2.gz PCVOWHIDXKAHTO-ZDUSSCGKSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)OCC(C)C ZINC001098943981 1363532330 /nfs/dbraw/zinc/53/23/30/1363532330.db2.gz GRXKKVIPMAHGQG-HOTGVXAUSA-N 1 2 344.927 3.407 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)OCC(C)C ZINC001098943981 1363532335 /nfs/dbraw/zinc/53/23/35/1363532335.db2.gz GRXKKVIPMAHGQG-HOTGVXAUSA-N 1 2 344.927 3.407 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(OC)cs2)C1 ZINC001098972768 1363548207 /nfs/dbraw/zinc/54/82/07/1363548207.db2.gz QZXQOKXBGDCVRX-LRDDRELGSA-N 1 2 340.876 3.094 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(OC)cs2)C1 ZINC001098972768 1363548210 /nfs/dbraw/zinc/54/82/10/1363548210.db2.gz QZXQOKXBGDCVRX-LRDDRELGSA-N 1 2 340.876 3.094 20 30 EGEDLO Cc1cc(N[C@@H](C)CCNC(=O)C#CC(C)(C)C)nc(C2CC2)[nH+]1 ZINC001099087923 1363617196 /nfs/dbraw/zinc/61/71/96/1363617196.db2.gz ZFQJTPDZROMUTI-ZDUSSCGKSA-N 1 2 328.460 3.019 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1cnns1 ZINC001099204252 1363691117 /nfs/dbraw/zinc/69/11/17/1363691117.db2.gz XUYVCEWJOWLXQT-AWEZNQCLSA-N 1 2 336.505 3.001 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1cnns1 ZINC001099204252 1363691122 /nfs/dbraw/zinc/69/11/22/1363691122.db2.gz XUYVCEWJOWLXQT-AWEZNQCLSA-N 1 2 336.505 3.001 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](OC)C(C)C ZINC001099209066 1363692732 /nfs/dbraw/zinc/69/27/32/1363692732.db2.gz VWFLORPLRGNFSS-CABCVRRESA-N 1 2 330.900 3.017 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](OC)C(C)C ZINC001099209066 1363692736 /nfs/dbraw/zinc/69/27/36/1363692736.db2.gz VWFLORPLRGNFSS-CABCVRRESA-N 1 2 330.900 3.017 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001101041761 1364386721 /nfs/dbraw/zinc/38/67/21/1364386721.db2.gz MDUVWVVRZKLRFM-GOEBONIOSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001101056628 1364395094 /nfs/dbraw/zinc/39/50/94/1364395094.db2.gz VMINMGSHOIEGPE-QRWLVFNGSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCN(c1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001101426011 1364558113 /nfs/dbraw/zinc/55/81/13/1364558113.db2.gz NSJYIBSAXLKYSA-AWEZNQCLSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)CC1(C)CCCCC1)c1nccn12 ZINC001101633846 1364663121 /nfs/dbraw/zinc/66/31/21/1364663121.db2.gz HMYWOAXGYFXSAA-MRXNPFEDSA-N 1 2 342.487 3.002 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](CCCC)C(C)C)c1nccn12 ZINC001101653061 1364674604 /nfs/dbraw/zinc/67/46/04/1364674604.db2.gz ZHMDRMOZKARMSN-IRXDYDNUSA-N 1 2 344.503 3.103 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C1(CC)CCCCC1)c1nccn12 ZINC001101653014 1364674874 /nfs/dbraw/zinc/67/48/74/1364674874.db2.gz YBASRBGDJJCYAX-MRXNPFEDSA-N 1 2 342.487 3.002 20 30 EGEDLO C=CCC[C@H](C(=O)N(C)CCNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001101674774 1364683806 /nfs/dbraw/zinc/68/38/06/1364683806.db2.gz AVIUUKVXDDEBRX-SFHVURJKSA-N 1 2 338.455 3.405 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)N(C)CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001101870496 1364757938 /nfs/dbraw/zinc/75/79/38/1364757938.db2.gz MKGYGDHQEFPTQF-LJQANCHMSA-N 1 2 348.491 3.008 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC([C@@H](C)Nc2cc[nH+]c(C)n2)CC1 ZINC001102067190 1364832721 /nfs/dbraw/zinc/83/27/21/1364832721.db2.gz QLDXDFINKOSRTB-ZBFHGGJFSA-N 1 2 330.476 3.426 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001102230236 1364947936 /nfs/dbraw/zinc/94/79/36/1364947936.db2.gz XYFZBUBLWAGHMF-VXGBXAGGSA-N 1 2 341.908 3.193 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001102230236 1364947937 /nfs/dbraw/zinc/94/79/37/1364947937.db2.gz XYFZBUBLWAGHMF-VXGBXAGGSA-N 1 2 341.908 3.193 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102749738 1365200847 /nfs/dbraw/zinc/20/08/47/1365200847.db2.gz AZOOEVIRVGSTLS-INIZCTEOSA-N 1 2 330.476 3.041 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102880237 1365269565 /nfs/dbraw/zinc/26/95/65/1365269565.db2.gz DFLLGVJUNQYWFH-KRWDZBQOSA-N 1 2 344.503 3.479 20 30 EGEDLO C=CCC(CC=C)C(=O)NCC[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001102932018 1365298773 /nfs/dbraw/zinc/29/87/73/1365298773.db2.gz LXCLXYNMBDUSMW-QGZVFWFLSA-N 1 2 342.487 3.276 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC(CCNc2cc[nH+]c(C)n2)CC1 ZINC001103623714 1365685236 /nfs/dbraw/zinc/68/52/36/1365685236.db2.gz QACNHEQRCSWVPI-HNNXBMFYSA-N 1 2 330.476 3.428 20 30 EGEDLO Cc1nc(N[C@H]2CC[C@H](NC(=O)CC#Cc3ccccc3)CC2)cc[nH+]1 ZINC001103642445 1365697239 /nfs/dbraw/zinc/69/72/39/1365697239.db2.gz GTACODRTVSFDJT-WGSAOQKQSA-N 1 2 348.450 3.066 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(F)(F)C(F)F)C1 ZINC001104250119 1365968025 /nfs/dbraw/zinc/96/80/25/1365968025.db2.gz VBDKJVSOLSXFEN-CHWSQXEVSA-N 1 2 338.389 3.317 20 30 EGEDLO C#Cc1ccc(C(=O)N(C)[C@H](C)CNc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC001104751099 1366156706 /nfs/dbraw/zinc/15/67/06/1366156706.db2.gz YSDQZQOWEREQLL-OAHLLOKOSA-N 1 2 348.450 3.216 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H](C)CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001104805107 1366181246 /nfs/dbraw/zinc/18/12/46/1366181246.db2.gz POOAMUDSGRNSJI-AWEZNQCLSA-N 1 2 328.460 3.278 20 30 EGEDLO C=CCCOCC(=O)NC[C@H](Nc1cc(C)[nH+]c(C(C)C)n1)C(C)C ZINC001105194218 1366365263 /nfs/dbraw/zinc/36/52/63/1366365263.db2.gz UITKYJVJSQUYIU-INIZCTEOSA-N 1 2 348.491 3.054 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N(C)CCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001105528627 1366512041 /nfs/dbraw/zinc/51/20/41/1366512041.db2.gz RFKMPFVPXLTUOS-DZGCQCFKSA-N 1 2 330.476 3.015 20 30 EGEDLO CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C(F)C(F)(F)F)CCC1 ZINC001105539541 1366518655 /nfs/dbraw/zinc/51/86/55/1366518655.db2.gz JOAXNUOZYYKCPH-UONOGXRCSA-N 1 2 348.384 3.051 20 30 EGEDLO CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H](F)C(F)(F)F)CCC1 ZINC001105539541 1366518661 /nfs/dbraw/zinc/51/86/61/1366518661.db2.gz JOAXNUOZYYKCPH-UONOGXRCSA-N 1 2 348.384 3.051 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]2[C@H](CCN2c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001105618184 1366549240 /nfs/dbraw/zinc/54/92/40/1366549240.db2.gz QWVPYPQMAAPHBP-IAGOWNOFSA-N 1 2 342.487 3.302 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2[C@H](CCN2c2nc(C)[nH+]c(C)c2C)C1 ZINC001105629014 1366551843 /nfs/dbraw/zinc/55/18/43/1366551843.db2.gz RBXQUOASISXNPI-MSOLQXFVSA-N 1 2 342.487 3.185 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)CCCC(C)(C)C)CC2)C1 ZINC001105699819 1366579257 /nfs/dbraw/zinc/57/92/57/1366579257.db2.gz IPPOWMXVHBETSK-UHFFFAOYSA-N 1 2 336.520 3.471 20 30 EGEDLO C#CCCCCCC(=O)N1CCC(OC2C[NH+](CC=C(C)C)C2)CC1 ZINC001105717171 1366582857 /nfs/dbraw/zinc/58/28/57/1366582857.db2.gz QITNIEPJSOAKSO-UHFFFAOYSA-N 1 2 346.515 3.228 20 30 EGEDLO C#CCCCCCC(=O)NC/C=C\CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107449054 1366967716 /nfs/dbraw/zinc/96/77/16/1366967716.db2.gz NWSAKEWUHMWLJF-HJWRWDBZSA-N 1 2 340.471 3.330 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]([N@H+](C)Cc2csc(-c3ccco3)n2)C1 ZINC001189327220 1366992234 /nfs/dbraw/zinc/99/22/34/1366992234.db2.gz LUKQFBFJBOOTEB-OAHLLOKOSA-N 1 2 345.468 3.402 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2csc(-c3ccco3)n2)C1 ZINC001189327220 1366992237 /nfs/dbraw/zinc/99/22/37/1366992237.db2.gz LUKQFBFJBOOTEB-OAHLLOKOSA-N 1 2 345.468 3.402 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H](C)CC)[C@@H]2C1 ZINC001189514560 1367040924 /nfs/dbraw/zinc/04/09/24/1367040924.db2.gz JDDFZVILKRRLPA-VHDGCEQUSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H](C)CC)[C@@H]2C1 ZINC001189514560 1367040929 /nfs/dbraw/zinc/04/09/29/1367040929.db2.gz JDDFZVILKRRLPA-VHDGCEQUSA-N 1 2 343.309 3.254 20 30 EGEDLO CC(C)c1cc(NCCCN(C)C(=O)[C@@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001109393293 1367102580 /nfs/dbraw/zinc/10/25/80/1367102580.db2.gz AGVCSDSAQYAGGS-AWEZNQCLSA-N 1 2 331.464 3.143 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C(C)(C)C)o2)C1 ZINC001189751309 1367102827 /nfs/dbraw/zinc/10/28/27/1367102827.db2.gz DKRICMQRWXAOGA-MRXNPFEDSA-N 1 2 345.487 3.198 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C(C)(C)C)o2)C1 ZINC001189751309 1367102828 /nfs/dbraw/zinc/10/28/28/1367102828.db2.gz DKRICMQRWXAOGA-MRXNPFEDSA-N 1 2 345.487 3.198 20 30 EGEDLO CN(C)c1cc(COc2cc(C#N)ccc2Br)cc[nH+]1 ZINC001189902213 1367126948 /nfs/dbraw/zinc/12/69/48/1367126948.db2.gz HORMMHDXDKDBID-UHFFFAOYSA-N 1 2 332.201 3.361 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@H]2C[N@H+](Cc3nccn3C)C[C@H]21 ZINC001189907129 1367128209 /nfs/dbraw/zinc/12/82/09/1367128209.db2.gz VSZSSWZJPXOJHM-ZWKOTPCHSA-N 1 2 346.519 3.203 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nccn3C)C[C@H]21 ZINC001189907129 1367128213 /nfs/dbraw/zinc/12/82/13/1367128213.db2.gz VSZSSWZJPXOJHM-ZWKOTPCHSA-N 1 2 346.519 3.203 20 30 EGEDLO C#CCCCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC001189925948 1367132203 /nfs/dbraw/zinc/13/22/03/1367132203.db2.gz INYVIDLOSRUPDY-JKSUJKDBSA-N 1 2 345.487 3.369 20 30 EGEDLO C#CCCCC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC001189925948 1367132208 /nfs/dbraw/zinc/13/22/08/1367132208.db2.gz INYVIDLOSRUPDY-JKSUJKDBSA-N 1 2 345.487 3.369 20 30 EGEDLO C=CCCC(=O)NC[C@@]1(C)C[N@H+]([C@H](C)c2cccc(F)c2)CCO1 ZINC001107805234 1367154370 /nfs/dbraw/zinc/15/43/70/1367154370.db2.gz VAAFMIXKNDMFBZ-BEFAXECRSA-N 1 2 334.435 3.060 20 30 EGEDLO C=CCCC(=O)NC[C@@]1(C)C[N@@H+]([C@H](C)c2cccc(F)c2)CCO1 ZINC001107805234 1367154374 /nfs/dbraw/zinc/15/43/74/1367154374.db2.gz VAAFMIXKNDMFBZ-BEFAXECRSA-N 1 2 334.435 3.060 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2csc3cc(C)ccc32)C1 ZINC001107971666 1367224997 /nfs/dbraw/zinc/22/49/97/1367224997.db2.gz WQBNHWRKOQRXJS-IBGZPJMESA-N 1 2 344.480 3.216 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2csc3cc(C)ccc32)C1 ZINC001107971666 1367225000 /nfs/dbraw/zinc/22/50/00/1367225000.db2.gz WQBNHWRKOQRXJS-IBGZPJMESA-N 1 2 344.480 3.216 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)cc(F)c1 ZINC001109627271 1367244876 /nfs/dbraw/zinc/24/48/76/1367244876.db2.gz JIFAJEYBBMEUCR-QYZOEREBSA-N 1 2 346.421 3.380 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)cc(F)c1 ZINC001109627271 1367244885 /nfs/dbraw/zinc/24/48/85/1367244885.db2.gz JIFAJEYBBMEUCR-QYZOEREBSA-N 1 2 346.421 3.380 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)cs1 ZINC001109631449 1367251136 /nfs/dbraw/zinc/25/11/36/1367251136.db2.gz BWQHFHNCUTYNDW-OJLVUWQFSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001109631449 1367251141 /nfs/dbraw/zinc/25/11/41/1367251141.db2.gz BWQHFHNCUTYNDW-OJLVUWQFSA-N 1 2 333.501 3.275 20 30 EGEDLO C#CCC1(C(=O)N2CC[C@H]([N@H+](C)CC=C(Cl)Cl)C2)CCC1 ZINC001190605507 1367306596 /nfs/dbraw/zinc/30/65/96/1367306596.db2.gz XPIJAKRUEWUYNH-ZDUSSCGKSA-N 1 2 329.271 3.032 20 30 EGEDLO C#CCC1(C(=O)N2CC[C@H]([N@@H+](C)CC=C(Cl)Cl)C2)CCC1 ZINC001190605507 1367306601 /nfs/dbraw/zinc/30/66/01/1367306601.db2.gz XPIJAKRUEWUYNH-ZDUSSCGKSA-N 1 2 329.271 3.032 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC001108148836 1367310871 /nfs/dbraw/zinc/31/08/71/1367310871.db2.gz OUSZWPCDRWCMIT-JXFKEZNVSA-N 1 2 348.462 3.135 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC001108148836 1367310877 /nfs/dbraw/zinc/31/08/77/1367310877.db2.gz OUSZWPCDRWCMIT-JXFKEZNVSA-N 1 2 348.462 3.135 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)cs1 ZINC001109769518 1367312220 /nfs/dbraw/zinc/31/22/20/1367312220.db2.gz GZGPBQFVDXCIJS-ILXRZTDVSA-N 1 2 333.501 3.275 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001109769518 1367312223 /nfs/dbraw/zinc/31/22/23/1367312223.db2.gz GZGPBQFVDXCIJS-ILXRZTDVSA-N 1 2 333.501 3.275 20 30 EGEDLO Cc1[nH+]c[nH]c1CSCCNC(=O)c1cccc(C(C)(C)C#N)c1 ZINC001190942169 1367387499 /nfs/dbraw/zinc/38/74/99/1367387499.db2.gz DBGBEBDIOSGPSJ-UHFFFAOYSA-N 1 2 342.468 3.183 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2c(Cl)cccc2Cl)C1 ZINC001108363752 1367413712 /nfs/dbraw/zinc/41/37/12/1367413712.db2.gz BUHRRUIVYBOYQE-MRXNPFEDSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2c(Cl)cccc2Cl)C1 ZINC001108363752 1367413715 /nfs/dbraw/zinc/41/37/15/1367413715.db2.gz BUHRRUIVYBOYQE-MRXNPFEDSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2coc3ccc(Cl)cc32)C1 ZINC001108370837 1367419962 /nfs/dbraw/zinc/41/99/62/1367419962.db2.gz FIEUJNABYDDRBS-SFHVURJKSA-N 1 2 348.830 3.093 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2coc3ccc(Cl)cc32)C1 ZINC001108370837 1367419968 /nfs/dbraw/zinc/41/99/68/1367419968.db2.gz FIEUJNABYDDRBS-SFHVURJKSA-N 1 2 348.830 3.093 20 30 EGEDLO CCCCCCCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC001191113278 1367426383 /nfs/dbraw/zinc/42/63/83/1367426383.db2.gz VYKQQECQVKGLLO-UHFFFAOYSA-N 1 2 347.503 3.288 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2ncc(C)o2)C1 ZINC001191754093 1367577072 /nfs/dbraw/zinc/57/70/72/1367577072.db2.gz KXYLNPBOMTYTFW-IAGOWNOFSA-N 1 2 331.460 3.160 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2ncc(C)o2)C1 ZINC001191754093 1367577074 /nfs/dbraw/zinc/57/70/74/1367577074.db2.gz KXYLNPBOMTYTFW-IAGOWNOFSA-N 1 2 331.460 3.160 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C)s2)C1 ZINC001191754007 1367577088 /nfs/dbraw/zinc/57/70/88/1367577088.db2.gz IXDYZCOMDXRTKO-MRXNPFEDSA-N 1 2 333.501 3.068 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C)s2)C1 ZINC001191754007 1367577094 /nfs/dbraw/zinc/57/70/94/1367577094.db2.gz IXDYZCOMDXRTKO-MRXNPFEDSA-N 1 2 333.501 3.068 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2nc(C)sc2C)C1 ZINC001191868714 1367621820 /nfs/dbraw/zinc/62/18/20/1367621820.db2.gz YOUVYYWVHMBOOF-BBRMVZONSA-N 1 2 335.517 3.395 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2nc(C)sc2C)C1 ZINC001191868714 1367621823 /nfs/dbraw/zinc/62/18/23/1367621823.db2.gz YOUVYYWVHMBOOF-BBRMVZONSA-N 1 2 335.517 3.395 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2nc(C)sc2C)C1 ZINC001191868715 1367621938 /nfs/dbraw/zinc/62/19/38/1367621938.db2.gz YOUVYYWVHMBOOF-CJNGLKHVSA-N 1 2 335.517 3.395 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2nc(C)sc2C)C1 ZINC001191868715 1367621940 /nfs/dbraw/zinc/62/19/40/1367621940.db2.gz YOUVYYWVHMBOOF-CJNGLKHVSA-N 1 2 335.517 3.395 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCC1(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001110305847 1367627011 /nfs/dbraw/zinc/62/70/11/1367627011.db2.gz PXVRZKRUMZPUQK-OAHLLOKOSA-N 1 2 342.487 3.327 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2csc(CC)n2)C1 ZINC001191889603 1367627242 /nfs/dbraw/zinc/62/72/42/1367627242.db2.gz IUQVYMCEYDXKAS-GDBMZVCRSA-N 1 2 335.517 3.341 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2csc(CC)n2)C1 ZINC001191889603 1367627247 /nfs/dbraw/zinc/62/72/47/1367627247.db2.gz IUQVYMCEYDXKAS-GDBMZVCRSA-N 1 2 335.517 3.341 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2nc(C)sc2C)C1 ZINC001191889766 1367627334 /nfs/dbraw/zinc/62/73/34/1367627334.db2.gz KASYRPQWTPKHCV-HOTGVXAUSA-N 1 2 335.517 3.395 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2nc(C)sc2C)C1 ZINC001191889766 1367627338 /nfs/dbraw/zinc/62/73/38/1367627338.db2.gz KASYRPQWTPKHCV-HOTGVXAUSA-N 1 2 335.517 3.395 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC001191913356 1367637105 /nfs/dbraw/zinc/63/71/05/1367637105.db2.gz XHEVGPUQWDVOLL-HZPDHXFCSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC001191913356 1367637111 /nfs/dbraw/zinc/63/71/11/1367637111.db2.gz XHEVGPUQWDVOLL-HZPDHXFCSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@]2(C1)CCCN(c1cc[nH+]c(C)n1)C2 ZINC001110458376 1367745461 /nfs/dbraw/zinc/74/54/61/1367745461.db2.gz CGDFFISEWPZZKV-OXQOHEQNSA-N 1 2 342.487 3.206 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC2(C1)CCN(c1cc[nH+]c(C)n1)CC2 ZINC001110463690 1367753658 /nfs/dbraw/zinc/75/36/58/1367753658.db2.gz RMCYACFWHJCUOK-JKSUJKDBSA-N 1 2 342.487 3.062 20 30 EGEDLO Cc1cc(N[C@H]2CCN(C(=O)C#CC(C)C)[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC001110512504 1367794824 /nfs/dbraw/zinc/79/48/24/1367794824.db2.gz JUSUGQKVQPARFA-RDJZCZTQSA-N 1 2 340.471 3.113 20 30 EGEDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110540220 1367819585 /nfs/dbraw/zinc/81/95/85/1367819585.db2.gz ITUWWEDPSLUQMT-PNYIKSMMSA-N 1 2 344.405 3.161 20 30 EGEDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110540220 1367819596 /nfs/dbraw/zinc/81/95/96/1367819596.db2.gz ITUWWEDPSLUQMT-PNYIKSMMSA-N 1 2 344.405 3.161 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2nc(C3CC3)no2)C1 ZINC001192578349 1367822433 /nfs/dbraw/zinc/82/24/33/1367822433.db2.gz PNTUWRPKCPEQDB-ZFWWWQNUSA-N 1 2 346.475 3.143 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2nc(C3CC3)no2)C1 ZINC001192578349 1367822437 /nfs/dbraw/zinc/82/24/37/1367822437.db2.gz PNTUWRPKCPEQDB-ZFWWWQNUSA-N 1 2 346.475 3.143 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001110598946 1367860253 /nfs/dbraw/zinc/86/02/53/1367860253.db2.gz TZBVEXOEVUUNLP-ZACQAIPSSA-N 1 2 331.435 3.045 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1 ZINC001110598946 1367860256 /nfs/dbraw/zinc/86/02/56/1367860256.db2.gz TZBVEXOEVUUNLP-ZACQAIPSSA-N 1 2 331.435 3.045 20 30 EGEDLO CC#CCCCC(=O)NC1(C)CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001110606789 1367870156 /nfs/dbraw/zinc/87/01/56/1367870156.db2.gz RAJNMVLORZLUPB-UHFFFAOYSA-N 1 2 342.487 3.071 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)sc1C ZINC001110897702 1368071960 /nfs/dbraw/zinc/07/19/60/1368071960.db2.gz SUKCNYASIQKAIZ-FMKPAKJESA-N 1 2 333.501 3.194 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)sc1C ZINC001110897702 1368071957 /nfs/dbraw/zinc/07/19/57/1368071957.db2.gz SUKCNYASIQKAIZ-FMKPAKJESA-N 1 2 333.501 3.194 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001110900540 1368074065 /nfs/dbraw/zinc/07/40/65/1368074065.db2.gz FOEFQNOSHRSTIV-ZACQAIPSSA-N 1 2 345.512 3.257 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001110900540 1368074075 /nfs/dbraw/zinc/07/40/75/1368074075.db2.gz FOEFQNOSHRSTIV-ZACQAIPSSA-N 1 2 345.512 3.257 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001110900857 1368074295 /nfs/dbraw/zinc/07/42/95/1368074295.db2.gz URFDBCJUDKZXLL-QRVBRYPASA-N 1 2 343.446 3.026 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1 ZINC001110900857 1368074303 /nfs/dbraw/zinc/07/43/03/1368074303.db2.gz URFDBCJUDKZXLL-QRVBRYPASA-N 1 2 343.446 3.026 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)c(C)s1 ZINC001110964421 1368127296 /nfs/dbraw/zinc/12/72/96/1368127296.db2.gz KGKPJZQCMJPWFK-OAGGEKHMSA-N 1 2 333.501 3.338 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)c(C)s1 ZINC001110964421 1368127298 /nfs/dbraw/zinc/12/72/98/1368127298.db2.gz KGKPJZQCMJPWFK-OAGGEKHMSA-N 1 2 333.501 3.338 20 30 EGEDLO C#CCCCC(=O)N1CC[C@H]([C@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001111215626 1368194627 /nfs/dbraw/zinc/19/46/27/1368194627.db2.gz GXRYDMOHUAJXBK-RDJZCZTQSA-N 1 2 340.471 3.115 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)CC(F)(F)F)C2 ZINC001111231922 1368207669 /nfs/dbraw/zinc/20/76/69/1368207669.db2.gz XTCYBEJECHHDMX-UTUOFQBUSA-N 1 2 338.801 3.439 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)CC(F)(F)F)C2 ZINC001111231922 1368207672 /nfs/dbraw/zinc/20/76/72/1368207672.db2.gz XTCYBEJECHHDMX-UTUOFQBUSA-N 1 2 338.801 3.439 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccc(C)cc1C)C2 ZINC001111387559 1368282249 /nfs/dbraw/zinc/28/22/49/1368282249.db2.gz YGKDPIRIDGXKQF-ZACQAIPSSA-N 1 2 348.874 3.156 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccc(C)cc1C)C2 ZINC001111387559 1368282254 /nfs/dbraw/zinc/28/22/54/1368282254.db2.gz YGKDPIRIDGXKQF-ZACQAIPSSA-N 1 2 348.874 3.156 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@H]2[C@H]1CCN2c1nc(C)[nH+]c(C)c1C ZINC001111398467 1368294541 /nfs/dbraw/zinc/29/45/41/1368294541.db2.gz YUPJFOOBBICDBU-ZWKOTPCHSA-N 1 2 342.487 3.328 20 30 EGEDLO C=CCCOc1ccc(C(=O)NCCSCc2[nH]c[nH+]c2C)cc1 ZINC001195142326 1368387219 /nfs/dbraw/zinc/38/72/19/1368387219.db2.gz NPKRSAFYKGZKPL-UHFFFAOYSA-N 1 2 345.468 3.336 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@H](CNc2cc[nH+]c(C)n2)CC1 ZINC001111638830 1368402529 /nfs/dbraw/zinc/40/25/29/1368402529.db2.gz KETKPXLERGUSCY-QAQDUYKDSA-N 1 2 328.460 3.066 20 30 EGEDLO CC/C(C)=C/C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001195761114 1368484620 /nfs/dbraw/zinc/48/46/20/1368484620.db2.gz JMNDLQBCOZDKNS-RVDMUPIBSA-N 1 2 329.419 3.088 20 30 EGEDLO CC/C(C)=C/C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001195761114 1368484625 /nfs/dbraw/zinc/48/46/25/1368484625.db2.gz JMNDLQBCOZDKNS-RVDMUPIBSA-N 1 2 329.419 3.088 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[N@H+](Cc2cc(C3CC3)no2)CC1 ZINC001195997212 1368531355 /nfs/dbraw/zinc/53/13/55/1368531355.db2.gz PSXQPPULPKNDBM-UHFFFAOYSA-N 1 2 331.460 3.189 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[N@@H+](Cc2cc(C3CC3)no2)CC1 ZINC001195997212 1368531360 /nfs/dbraw/zinc/53/13/60/1368531360.db2.gz PSXQPPULPKNDBM-UHFFFAOYSA-N 1 2 331.460 3.189 20 30 EGEDLO Cc1cc(N(C)CCCN(C)C(=O)C#CC(C)(C)C)nc(C(C)C)[nH+]1 ZINC001112086146 1368650538 /nfs/dbraw/zinc/65/05/38/1368650538.db2.gz JHNVFSWSMNHYFM-UHFFFAOYSA-N 1 2 344.503 3.243 20 30 EGEDLO C=C[C@H](C(=O)N(C)CCCN(C)c1cc[nH+]c(C)n1)c1ccccc1 ZINC001112097233 1368657513 /nfs/dbraw/zinc/65/75/13/1368657513.db2.gz ZNLZMOICMUFYJE-SFHVURJKSA-N 1 2 338.455 3.040 20 30 EGEDLO CC(C)=C(C)CC(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001196781892 1368683969 /nfs/dbraw/zinc/68/39/69/1368683969.db2.gz CCJPKNSFCZSOEX-UHFFFAOYSA-N 1 2 325.456 3.339 20 30 EGEDLO CC(C)=C(C)CC(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001196781892 1368683972 /nfs/dbraw/zinc/68/39/72/1368683972.db2.gz CCJPKNSFCZSOEX-UHFFFAOYSA-N 1 2 325.456 3.339 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001196854027 1368699779 /nfs/dbraw/zinc/69/97/79/1368699779.db2.gz OMVPHDXZOLRELZ-IAGOWNOFSA-N 1 2 325.456 3.051 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001196854027 1368699782 /nfs/dbraw/zinc/69/97/82/1368699782.db2.gz OMVPHDXZOLRELZ-IAGOWNOFSA-N 1 2 325.456 3.051 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccnc(Cl)c2)CC1 ZINC001196880463 1368705351 /nfs/dbraw/zinc/70/53/51/1368705351.db2.gz KDLUNAUZKPHEMR-OAHLLOKOSA-N 1 2 335.879 3.372 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccnc(Cl)c2)CC1 ZINC001196880463 1368705355 /nfs/dbraw/zinc/70/53/55/1368705355.db2.gz KDLUNAUZKPHEMR-OAHLLOKOSA-N 1 2 335.879 3.372 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[N@H+](Cc2ccc(Cl)nc2)CC1 ZINC001196900683 1368709651 /nfs/dbraw/zinc/70/96/51/1368709651.db2.gz GYPYNDSFDFYTLJ-OAHLLOKOSA-N 1 2 335.879 3.372 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[N@@H+](Cc2ccc(Cl)nc2)CC1 ZINC001196900683 1368709653 /nfs/dbraw/zinc/70/96/53/1368709653.db2.gz GYPYNDSFDFYTLJ-OAHLLOKOSA-N 1 2 335.879 3.372 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001112379908 1368807128 /nfs/dbraw/zinc/80/71/28/1368807128.db2.gz PQPNUFRONNSSCG-QGZVFWFLSA-N 1 2 344.503 3.479 20 30 EGEDLO CC[C@@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001197588494 1368847259 /nfs/dbraw/zinc/84/72/59/1368847259.db2.gz ZKFHMZWPWIAQQB-HZPDHXFCSA-N 1 2 345.462 3.414 20 30 EGEDLO CC[C@@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001197588494 1368847263 /nfs/dbraw/zinc/84/72/63/1368847263.db2.gz ZKFHMZWPWIAQQB-HZPDHXFCSA-N 1 2 345.462 3.414 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001112438531 1368854141 /nfs/dbraw/zinc/85/41/41/1368854141.db2.gz SJHULZWHJQKFGH-CXAGYDPISA-N 1 2 344.503 3.335 20 30 EGEDLO Cc1cc(N2CC[C@H](NC(=O)C#CC(C)C)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC001112476106 1368874543 /nfs/dbraw/zinc/87/45/43/1368874543.db2.gz DZWYJTWKCGWEFD-SJORKVTESA-N 1 2 342.487 3.041 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)[C@H](C)C1 ZINC001112477041 1368876177 /nfs/dbraw/zinc/87/61/77/1368876177.db2.gz QQEPWMHOZBQVMV-HZPDHXFCSA-N 1 2 330.476 3.348 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001112633122 1368962986 /nfs/dbraw/zinc/96/29/86/1368962986.db2.gz CLTUQSJZKYGNNR-VQIMIIECSA-N 1 2 330.476 3.205 20 30 EGEDLO C=CCOCC(=O)N1CC[NH+]([C@@H](CC)c2ccc(Cl)cc2)CC1 ZINC001112703663 1368983579 /nfs/dbraw/zinc/98/35/79/1368983579.db2.gz BZHMZNKUHCOOJV-KRWDZBQOSA-N 1 2 336.863 3.138 20 30 EGEDLO C=CCCC(=O)N1CCC[C@@H]1CN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001112782831 1369000727 /nfs/dbraw/zinc/00/07/27/1369000727.db2.gz GXJXGLIBAKRLCQ-MRXNPFEDSA-N 1 2 342.487 3.057 20 30 EGEDLO C=CCn1cccc1C(=O)N1CC[NH+](CCCCC(F)(F)F)CC1 ZINC001112967306 1369113996 /nfs/dbraw/zinc/11/39/96/1369113996.db2.gz JIOWISQLTBNJOM-UHFFFAOYSA-N 1 2 343.393 3.165 20 30 EGEDLO C#CCCCCC(=O)N[C@@H](C)[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001112973056 1369118063 /nfs/dbraw/zinc/11/80/63/1369118063.db2.gz DXHNUYSHPDXWDH-GJZGRUSLSA-N 1 2 328.460 3.161 20 30 EGEDLO Cc1cc(N[C@H](C)[C@@H](C)NC(=O)C#CC(C)(C)C)nc(C(C)C)[nH+]1 ZINC001113003674 1369131233 /nfs/dbraw/zinc/13/12/33/1369131233.db2.gz FKZFYUXXEQNAFB-HUUCEWRRSA-N 1 2 330.476 3.263 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC001113158836 1369234297 /nfs/dbraw/zinc/23/42/97/1369234297.db2.gz NKKUROMYNMSBLZ-OXJNMPFZSA-N 1 2 348.462 3.260 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC[NH+](CCOc2cc(C)ccc2C)CC1 ZINC001113229285 1369276840 /nfs/dbraw/zinc/27/68/40/1369276840.db2.gz GSMIRJRNDYUIHA-IEBWSBKVSA-N 1 2 344.499 3.285 20 30 EGEDLO C=CCCC1(C(=O)N2CC[NH+](CCOc3ccccc3C)CC2)CC1 ZINC001113312550 1369339363 /nfs/dbraw/zinc/33/93/63/1369339363.db2.gz BGERBHRGSVZXIU-UHFFFAOYSA-N 1 2 342.483 3.264 20 30 EGEDLO C=CCNC(=S)NC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC001200302184 1369344485 /nfs/dbraw/zinc/34/44/85/1369344485.db2.gz GGEUOGKEQLDYHZ-UHFFFAOYSA-N 1 2 341.883 3.094 20 30 EGEDLO CCCCCCCCCNC(=S)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC001200374035 1369356953 /nfs/dbraw/zinc/35/69/53/1369356953.db2.gz ILRBUCHAKFWJAY-KRWDZBQOSA-N 1 2 341.565 3.018 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[NH+](CCOC2CCCCCC2)CC1 ZINC001113390625 1369392211 /nfs/dbraw/zinc/39/22/11/1369392211.db2.gz LKKISVSGGZWHMB-UHFFFAOYSA-N 1 2 336.520 3.472 20 30 EGEDLO CC(C)C#CC(=O)NC[C@H](C)N(C)c1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001113600813 1369510637 /nfs/dbraw/zinc/51/06/37/1369510637.db2.gz YPCMWFLGCQVIGK-INIZCTEOSA-N 1 2 344.503 3.324 20 30 EGEDLO CC/C=C(\C)C(=O)NC1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@@H]12 ZINC001113966966 1369668302 /nfs/dbraw/zinc/66/83/02/1369668302.db2.gz ZHJPCNRTEUXBOY-WIHYATENSA-N 1 2 342.870 3.094 20 30 EGEDLO CC/C=C(\C)C(=O)NC1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@@H]12 ZINC001113966966 1369668306 /nfs/dbraw/zinc/66/83/06/1369668306.db2.gz ZHJPCNRTEUXBOY-WIHYATENSA-N 1 2 342.870 3.094 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)CC[C@@H](Nc2cc[nH+]c(C)n2)C(C)C)C1 ZINC001114118561 1369746949 /nfs/dbraw/zinc/74/69/49/1369746949.db2.gz ARQXGIRCIXRQDU-MRXNPFEDSA-N 1 2 330.476 3.426 20 30 EGEDLO CCCC[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114204744 1369793558 /nfs/dbraw/zinc/79/35/58/1369793558.db2.gz ZCILSCJYBMDZNX-BPQTVZERSA-N 1 2 343.446 3.070 20 30 EGEDLO CCCC[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114204744 1369793562 /nfs/dbraw/zinc/79/35/62/1369793562.db2.gz ZCILSCJYBMDZNX-BPQTVZERSA-N 1 2 343.446 3.070 20 30 EGEDLO CCCC[C@@H](CNc1cc(C)[nH+]c(C2CC2)n1)NC(=O)C#CC(C)C ZINC001114256881 1369832586 /nfs/dbraw/zinc/83/25/86/1369832586.db2.gz LQNNFAQHKZYWJC-KRWDZBQOSA-N 1 2 342.487 3.409 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(CCCC)n3)C[C@H]21 ZINC001114343481 1369902895 /nfs/dbraw/zinc/90/28/95/1369902895.db2.gz PFDRYFMKIOBPHX-MNZLEMJZSA-N 1 2 347.528 3.388 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(CCCC)n3)C[C@H]21 ZINC001114343481 1369902898 /nfs/dbraw/zinc/90/28/98/1369902898.db2.gz PFDRYFMKIOBPHX-MNZLEMJZSA-N 1 2 347.528 3.388 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)CC1(C)C ZINC001114484515 1369971818 /nfs/dbraw/zinc/97/18/18/1369971818.db2.gz BMPRSKKGMONBMC-MRXNPFEDSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(CCCC)n3)C[C@H]21 ZINC001114692914 1370029406 /nfs/dbraw/zinc/02/94/06/1370029406.db2.gz RGSXFVAVUHXFLQ-QLPKVWCKSA-N 1 2 347.528 3.244 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(CCCC)n3)C[C@H]21 ZINC001114692914 1370029408 /nfs/dbraw/zinc/02/94/08/1370029408.db2.gz RGSXFVAVUHXFLQ-QLPKVWCKSA-N 1 2 347.528 3.244 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1C[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001114755850 1370064269 /nfs/dbraw/zinc/06/42/69/1370064269.db2.gz XROFXXFQZNCCAI-JCNLHEQBSA-N 1 2 340.471 3.163 20 30 EGEDLO C=CCCCC(=O)N1CCC(N(C)c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001115153275 1370315613 /nfs/dbraw/zinc/31/56/13/1370315613.db2.gz AQNVANJOVOQZKW-UHFFFAOYSA-N 1 2 342.487 3.446 20 30 EGEDLO C=CCOc1ccc(-c2noc([C@H]([NH3+])c3ccc(O)cc3)n2)c(F)c1 ZINC001204779426 1370574360 /nfs/dbraw/zinc/57/43/60/1370574360.db2.gz VGBQNPKNFMSATC-MRXNPFEDSA-N 1 2 341.342 3.194 20 30 EGEDLO C=CC[C@H](C(=O)N(C)C[C@@H](C)Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC001115742683 1370722246 /nfs/dbraw/zinc/72/22/46/1370722246.db2.gz ITLQZMGCFMZBHN-QAPCUYQASA-N 1 2 338.455 3.404 20 30 EGEDLO C=CC[C@H](C(=O)N(C)C[C@H](C)Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC001115742684 1370722557 /nfs/dbraw/zinc/72/25/57/1370722557.db2.gz ITLQZMGCFMZBHN-YJBOKZPZSA-N 1 2 338.455 3.404 20 30 EGEDLO N#Cc1cc(C[NH+]2CCN(c3noc4ccccc43)CC2)ccc1F ZINC001205455814 1370761059 /nfs/dbraw/zinc/76/10/59/1370761059.db2.gz SEVJVGYPSRJVKL-UHFFFAOYSA-N 1 2 336.370 3.161 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2noc3c2CC(C)(C)CC3)C[C@H]1C ZINC001206536846 1371086465 /nfs/dbraw/zinc/08/64/65/1371086465.db2.gz AZQOBLIHQIEYLF-GDBMZVCRSA-N 1 2 345.487 3.092 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2noc3c2CC(C)(C)CC3)C[C@H]1C ZINC001206536846 1371086471 /nfs/dbraw/zinc/08/64/71/1371086471.db2.gz AZQOBLIHQIEYLF-GDBMZVCRSA-N 1 2 345.487 3.092 20 30 EGEDLO N#CCc1cc(-c2ccc(C[NH+]3CCOCC3)cc2F)ccc1C#N ZINC001206712309 1371142998 /nfs/dbraw/zinc/14/29/98/1371142998.db2.gz HZXVYAIVKXHPDZ-UHFFFAOYSA-N 1 2 335.382 3.263 20 30 EGEDLO NC(=[NH+]OCC[C@@H]1CCOC1)c1ccc(OCc2ccccc2)cc1 ZINC001326148804 1388119394 /nfs/dbraw/zinc/11/93/94/1388119394.db2.gz ZCCQRBUDUCGSKC-KRWDZBQOSA-N 1 2 340.423 3.329 20 30 EGEDLO CC[NH+](CC)Cc1csc(NC(=O)c2cccc(C#N)c2C)n1 ZINC001119636001 1371380427 /nfs/dbraw/zinc/38/04/27/1371380427.db2.gz UQCXJGPMCLJYEY-UHFFFAOYSA-N 1 2 328.441 3.417 20 30 EGEDLO CCCCCCC[NH2+][C@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001208083884 1371590938 /nfs/dbraw/zinc/59/09/38/1371590938.db2.gz HQUQSBMDGZHANE-STQMWFEESA-N 1 2 326.378 3.438 20 30 EGEDLO CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001208083884 1371590942 /nfs/dbraw/zinc/59/09/42/1371590942.db2.gz HQUQSBMDGZHANE-STQMWFEESA-N 1 2 326.378 3.438 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ncc(C(C)C)o2)C[C@H]1C ZINC001208390732 1371749363 /nfs/dbraw/zinc/74/93/63/1371749363.db2.gz BILYILPNDBRKQB-ARFHVFGLSA-N 1 2 333.476 3.337 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C(C)C)o2)C[C@H]1C ZINC001208390732 1371749366 /nfs/dbraw/zinc/74/93/66/1371749366.db2.gz BILYILPNDBRKQB-ARFHVFGLSA-N 1 2 333.476 3.337 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001208393019 1371749887 /nfs/dbraw/zinc/74/98/87/1371749887.db2.gz IPEZFZRUTLMZID-CKEIUWERSA-N 1 2 331.460 3.091 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001208393019 1371749891 /nfs/dbraw/zinc/74/98/91/1371749891.db2.gz IPEZFZRUTLMZID-CKEIUWERSA-N 1 2 331.460 3.091 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nnc(CC(C)C)o2)C[C@H]1C ZINC001208458703 1371774742 /nfs/dbraw/zinc/77/47/42/1371774742.db2.gz UHGMJSHXNANVNV-OWCLPIDISA-N 1 2 348.491 3.122 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nnc(CC(C)C)o2)C[C@H]1C ZINC001208458703 1371774747 /nfs/dbraw/zinc/77/47/47/1371774747.db2.gz UHGMJSHXNANVNV-OWCLPIDISA-N 1 2 348.491 3.122 20 30 EGEDLO CCCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208467229 1371778675 /nfs/dbraw/zinc/77/86/75/1371778675.db2.gz XHHRKLQSKFWAIB-RDTXWAMCSA-N 1 2 345.462 3.460 20 30 EGEDLO CCCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208467229 1371778676 /nfs/dbraw/zinc/77/86/76/1371778676.db2.gz XHHRKLQSKFWAIB-RDTXWAMCSA-N 1 2 345.462 3.460 20 30 EGEDLO C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)C(F)C(F)(F)F)C2)C1 ZINC001121144924 1371865991 /nfs/dbraw/zinc/86/59/91/1371865991.db2.gz QBWBVNNMJUNWHL-FQEIQYEQSA-N 1 2 336.373 3.259 20 30 EGEDLO C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001121144924 1371865996 /nfs/dbraw/zinc/86/59/96/1371865996.db2.gz QBWBVNNMJUNWHL-FQEIQYEQSA-N 1 2 336.373 3.259 20 30 EGEDLO C=CCCC[N@H+]1CCN(c2cccc(OC(F)(F)F)c2)C(=O)C1 ZINC001209163697 1372020011 /nfs/dbraw/zinc/02/00/11/1372020011.db2.gz HRCCYILSXRWHAT-UHFFFAOYSA-N 1 2 328.334 3.200 20 30 EGEDLO C=CCCC[N@@H+]1CCN(c2cccc(OC(F)(F)F)c2)C(=O)C1 ZINC001209163697 1372020015 /nfs/dbraw/zinc/02/00/15/1372020015.db2.gz HRCCYILSXRWHAT-UHFFFAOYSA-N 1 2 328.334 3.200 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC(F)(F)C[C@H]1C ZINC001121613364 1372025362 /nfs/dbraw/zinc/02/53/62/1372025362.db2.gz XKJKJXXSJDSERB-KGLIPLIRSA-N 1 2 339.434 3.245 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC(F)(F)C[C@H]1C ZINC001121613364 1372025366 /nfs/dbraw/zinc/02/53/66/1372025366.db2.gz XKJKJXXSJDSERB-KGLIPLIRSA-N 1 2 339.434 3.245 20 30 EGEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001121624492 1372028689 /nfs/dbraw/zinc/02/86/89/1372028689.db2.gz ZVKMSFZIUGJYPW-MRXNPFEDSA-N 1 2 349.548 3.028 20 30 EGEDLO C=CC1(CC(=O)N2CCC[C@H]([NH2+]Cc3cnsn3)C2)CCCCC1 ZINC001210106447 1372272471 /nfs/dbraw/zinc/27/24/71/1372272471.db2.gz JDPMEPDJEMMZAZ-HNNXBMFYSA-N 1 2 348.516 3.145 20 30 EGEDLO Cc1cc(CN2CC[NH2+]C[C@H]2C#N)ccc1Oc1ccc(F)cc1 ZINC001210197015 1372292565 /nfs/dbraw/zinc/29/25/65/1372292565.db2.gz VJJPOHMOYPLMBX-QGZVFWFLSA-N 1 2 325.387 3.224 20 30 EGEDLO CCOC(=O)c1ccc2[nH+]ccc(Nc3cnc(C#N)c(C)c3)c2c1 ZINC001210201748 1372293728 /nfs/dbraw/zinc/29/37/28/1372293728.db2.gz GOKBXLIFPGTCQM-UHFFFAOYSA-N 1 2 332.363 3.152 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@@H]2CCC[C@@H](Nc3cc[nH+]c(C)n3)[C@H]2C1 ZINC001123485983 1372486131 /nfs/dbraw/zinc/48/61/31/1372486131.db2.gz DMBVWEWORDPUNO-YESZJQIVSA-N 1 2 342.487 3.426 20 30 EGEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2CCC[C@@H](Nc3cc[nH+]c(C)n3)[C@H]2C1 ZINC001123499221 1372490706 /nfs/dbraw/zinc/49/07/06/1372490706.db2.gz YIIFOWUBRDZOIQ-YESZJQIVSA-N 1 2 342.487 3.426 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@H]1C ZINC001123655551 1372544384 /nfs/dbraw/zinc/54/43/84/1372544384.db2.gz YFDWUIHRLCPAOE-DOTOQJQBSA-N 1 2 344.503 3.478 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[C@H](CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001123760299 1372579440 /nfs/dbraw/zinc/57/94/40/1372579440.db2.gz ITUUSTDMQLYDOW-HOTGVXAUSA-N 1 2 342.487 3.327 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001123829481 1372601439 /nfs/dbraw/zinc/60/14/39/1372601439.db2.gz OKWXLKGUHYARRX-DOTOQJQBSA-N 1 2 328.460 3.250 20 30 EGEDLO C=C(C)CCC(=O)NCc1cnn2c1C[N@H+](CC/C=C\CC)CC2 ZINC001128371666 1373258828 /nfs/dbraw/zinc/25/88/28/1373258828.db2.gz ASQSFSSJWVWNHQ-WAYWQWQTSA-N 1 2 330.476 3.028 20 30 EGEDLO C=C(C)CCC(=O)NCc1cnn2c1C[N@@H+](CC/C=C\CC)CC2 ZINC001128371666 1373258830 /nfs/dbraw/zinc/25/88/30/1373258830.db2.gz ASQSFSSJWVWNHQ-WAYWQWQTSA-N 1 2 330.476 3.028 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCc1cnn2c1C[N@H+](CCCCCC)CC2 ZINC001128453376 1373270616 /nfs/dbraw/zinc/27/06/16/1373270616.db2.gz GXIMJLAGFZLZJF-KRWDZBQOSA-N 1 2 346.519 3.498 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCc1cnn2c1C[N@@H+](CCCCCC)CC2 ZINC001128453376 1373270620 /nfs/dbraw/zinc/27/06/20/1373270620.db2.gz GXIMJLAGFZLZJF-KRWDZBQOSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)C(C)(C)C)c2C1 ZINC001128560559 1373291659 /nfs/dbraw/zinc/29/16/59/1373291659.db2.gz QDVFHKCBTSKUGR-UHFFFAOYSA-N 1 2 332.492 3.107 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)C(C)(C)C)c2C1 ZINC001128560559 1373291667 /nfs/dbraw/zinc/29/16/67/1373291667.db2.gz QDVFHKCBTSKUGR-UHFFFAOYSA-N 1 2 332.492 3.107 20 30 EGEDLO C=CCCCC(=O)N1CCC(n2ncc3c2C[N@H+](CC(C)C)C3)CC1 ZINC001130166494 1373468041 /nfs/dbraw/zinc/46/80/41/1373468041.db2.gz GTARKJXPQGANOH-UHFFFAOYSA-N 1 2 344.503 3.375 20 30 EGEDLO C=CCCCC(=O)N1CCC(n2ncc3c2C[N@@H+](CC(C)C)C3)CC1 ZINC001130166494 1373468044 /nfs/dbraw/zinc/46/80/44/1373468044.db2.gz GTARKJXPQGANOH-UHFFFAOYSA-N 1 2 344.503 3.375 20 30 EGEDLO CC(C)(C)Oc1ccc(NC(=O)NCc2ccc[nH+]c2N)cc1C#N ZINC001218288192 1373589562 /nfs/dbraw/zinc/58/95/62/1373589562.db2.gz JGJGMRLAJSHYRJ-UHFFFAOYSA-N 1 2 339.399 3.034 20 30 EGEDLO N#Cc1c(NC(=O)c2c(O)ccc3ccccc32)sc2c1CC[NH2+]C2 ZINC001218555777 1373632447 /nfs/dbraw/zinc/63/24/47/1373632447.db2.gz KWSWVOLUUNNAAF-UHFFFAOYSA-N 1 2 349.415 3.377 20 30 EGEDLO COc1c(C)c[nH+]c(CNC(=O)Nc2cc(F)cc(C#N)c2)c1C ZINC001219797452 1373732554 /nfs/dbraw/zinc/73/25/54/1373732554.db2.gz QZSJYKHNHOFRSK-UHFFFAOYSA-N 1 2 328.347 3.040 20 30 EGEDLO CCCCCCCC(=O)c1ccc(O)c(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)c1 ZINC001220152154 1373753358 /nfs/dbraw/zinc/75/33/58/1373753358.db2.gz WQYVBKZMENPIOP-FZNQNYSPSA-N 1 2 346.471 3.403 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CCCC(C)C)C[C@@H](C)O2 ZINC001131688162 1373763574 /nfs/dbraw/zinc/76/35/74/1373763574.db2.gz HOQRDBCGDAHQSH-SJLPKXTDSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCCC(C)C)C[C@@H](C)O2 ZINC001131688162 1373763577 /nfs/dbraw/zinc/76/35/77/1373763577.db2.gz HOQRDBCGDAHQSH-SJLPKXTDSA-N 1 2 342.911 3.257 20 30 EGEDLO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)c3c(Cl)[nH]nc3C3CC3)[C@@H]2C1 ZINC001221606051 1373784277 /nfs/dbraw/zinc/78/42/77/1373784277.db2.gz RWKLUSSAOXNFHF-ZIAGYGMSSA-N 1 2 348.878 3.053 20 30 EGEDLO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3c(Cl)[nH]nc3C3CC3)[C@@H]2C1 ZINC001221606051 1373784281 /nfs/dbraw/zinc/78/42/81/1373784281.db2.gz RWKLUSSAOXNFHF-ZIAGYGMSSA-N 1 2 348.878 3.053 20 30 EGEDLO C=CCOCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC=C(Cl)Cl)C1 ZINC001131939874 1375058194 /nfs/dbraw/zinc/05/81/94/1375058194.db2.gz WPYLJAUGWSTEOZ-ZIAGYGMSSA-N 1 2 349.302 3.257 20 30 EGEDLO C=CCOCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC=C(Cl)Cl)C1 ZINC001131939874 1375058199 /nfs/dbraw/zinc/05/81/99/1375058199.db2.gz WPYLJAUGWSTEOZ-ZIAGYGMSSA-N 1 2 349.302 3.257 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)CCC2CCC2)CC[C@H]1C ZINC001131950739 1375065380 /nfs/dbraw/zinc/06/53/80/1375065380.db2.gz NNAXRJMMRNXPGI-UKRRQHHQSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)CCC2CCC2)CC[C@H]1C ZINC001131950739 1375065387 /nfs/dbraw/zinc/06/53/87/1375065387.db2.gz NNAXRJMMRNXPGI-UKRRQHHQSA-N 1 2 343.309 3.444 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC=C(Cl)Cl)C1 ZINC001131976670 1375079639 /nfs/dbraw/zinc/07/96/39/1375079639.db2.gz NNILYTYHIVXBAR-ZIAGYGMSSA-N 1 2 331.287 3.468 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC=C(Cl)Cl)C1 ZINC001131976670 1375079641 /nfs/dbraw/zinc/07/96/41/1375079641.db2.gz NNILYTYHIVXBAR-ZIAGYGMSSA-N 1 2 331.287 3.468 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1ccnc(Cl)c1 ZINC001132034788 1375109226 /nfs/dbraw/zinc/10/92/26/1375109226.db2.gz VIDRJFSGBPHVNJ-HOCLYGCPSA-N 1 2 347.890 3.254 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1ccnc(Cl)c1 ZINC001132034788 1375109228 /nfs/dbraw/zinc/10/92/28/1375109228.db2.gz VIDRJFSGBPHVNJ-HOCLYGCPSA-N 1 2 347.890 3.254 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cncc(F)c2)C1 ZINC001132056654 1375122068 /nfs/dbraw/zinc/12/20/68/1375122068.db2.gz AZYFYSPJHRXPLW-DNVCBOLYSA-N 1 2 345.462 3.458 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cncc(F)c2)C1 ZINC001132056654 1375122071 /nfs/dbraw/zinc/12/20/71/1375122071.db2.gz AZYFYSPJHRXPLW-DNVCBOLYSA-N 1 2 345.462 3.458 20 30 EGEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c(F)c1F ZINC001226016618 1375190785 /nfs/dbraw/zinc/19/07/85/1375190785.db2.gz BBYVTMDJRWYEFO-INIZCTEOSA-N 1 2 339.345 3.361 20 30 EGEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c(F)c1F ZINC001226016618 1375190786 /nfs/dbraw/zinc/19/07/86/1375190786.db2.gz BBYVTMDJRWYEFO-INIZCTEOSA-N 1 2 339.345 3.361 20 30 EGEDLO C[C@H](Oc1ccc(C#N)cc1F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226049382 1375195460 /nfs/dbraw/zinc/19/54/60/1375195460.db2.gz PMNVFNBRLWTRLK-YWZLYKJASA-N 1 2 340.398 3.366 20 30 EGEDLO C[C@H](Oc1ccc(C#N)cc1F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226049382 1375195464 /nfs/dbraw/zinc/19/54/64/1375195464.db2.gz PMNVFNBRLWTRLK-YWZLYKJASA-N 1 2 340.398 3.366 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cncc(F)c2)C1 ZINC001132217262 1375214711 /nfs/dbraw/zinc/21/47/11/1375214711.db2.gz AGVATNYQRWVDPV-YOEHRIQHSA-N 1 2 333.451 3.292 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cncc(F)c2)C1 ZINC001132217262 1375214717 /nfs/dbraw/zinc/21/47/17/1375214717.db2.gz AGVATNYQRWVDPV-YOEHRIQHSA-N 1 2 333.451 3.292 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001132218666 1375217064 /nfs/dbraw/zinc/21/70/64/1375217064.db2.gz TXRSIUGVAMDATC-HIFRSBDPSA-N 1 2 335.879 3.416 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001132218666 1375217067 /nfs/dbraw/zinc/21/70/67/1375217067.db2.gz TXRSIUGVAMDATC-HIFRSBDPSA-N 1 2 335.879 3.416 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001132223476 1375220828 /nfs/dbraw/zinc/22/08/28/1375220828.db2.gz DUUAONIQLPXREC-QZTJIDSGSA-N 1 2 344.503 3.127 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001132223476 1375220831 /nfs/dbraw/zinc/22/08/31/1375220831.db2.gz DUUAONIQLPXREC-QZTJIDSGSA-N 1 2 344.503 3.127 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3ccn(CC)n3)C2)CCC1 ZINC001132282549 1375265161 /nfs/dbraw/zinc/26/51/61/1375265161.db2.gz KTOYDRUBJDFGQG-IAGOWNOFSA-N 1 2 344.503 3.119 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3ccn(CC)n3)C2)CCC1 ZINC001132282549 1375265165 /nfs/dbraw/zinc/26/51/65/1375265165.db2.gz KTOYDRUBJDFGQG-IAGOWNOFSA-N 1 2 344.503 3.119 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)C[C@H](C)C(C)C)CC1 ZINC001226534224 1375277700 /nfs/dbraw/zinc/27/77/00/1375277700.db2.gz GHCKOYFGXPPDKZ-LBPRGKRZSA-N 1 2 331.298 3.158 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2nc3ccc(F)cc3[nH]2)C1 ZINC001226700837 1375312115 /nfs/dbraw/zinc/31/21/15/1375312115.db2.gz GCMHKDHUARDDQV-MRXNPFEDSA-N 1 2 336.370 3.227 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2nc3ccc(F)cc3[nH]2)C1 ZINC001226700837 1375312122 /nfs/dbraw/zinc/31/21/22/1375312122.db2.gz GCMHKDHUARDDQV-MRXNPFEDSA-N 1 2 336.370 3.227 20 30 EGEDLO CC(=O)c1cc(O)ccc1O[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001226854062 1375347562 /nfs/dbraw/zinc/34/75/62/1375347562.db2.gz YGCVYAKANWSTPK-GOSISDBHSA-N 1 2 336.391 3.120 20 30 EGEDLO CC(=O)c1cc(O)ccc1O[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001226854062 1375347569 /nfs/dbraw/zinc/34/75/69/1375347569.db2.gz YGCVYAKANWSTPK-GOSISDBHSA-N 1 2 336.391 3.120 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H](C)CCCC)CC1 ZINC001227193038 1375405164 /nfs/dbraw/zinc/40/51/64/1375405164.db2.gz YJCQYOJWNQHYBA-LBPRGKRZSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCc2cccs2)CC[C@H]1C ZINC001132478921 1375415959 /nfs/dbraw/zinc/41/59/59/1375415959.db2.gz RCRAEUYRCKNTAW-ZIAGYGMSSA-N 1 2 326.893 3.402 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCc2cccs2)CC[C@H]1C ZINC001132478921 1375415960 /nfs/dbraw/zinc/41/59/60/1375415960.db2.gz RCRAEUYRCKNTAW-ZIAGYGMSSA-N 1 2 326.893 3.402 20 30 EGEDLO Cc1[nH]c2ccc(OC3CCN(c4cc(C#N)ccn4)CC3)cc2[nH+]1 ZINC001228330629 1375549685 /nfs/dbraw/zinc/54/96/85/1375549685.db2.gz ZWVNFONKMXDZIB-UHFFFAOYSA-N 1 2 333.395 3.186 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2ccnc(Cl)c2F)C1 ZINC001228580925 1375604689 /nfs/dbraw/zinc/60/46/89/1375604689.db2.gz VHIBUYCFWSEDFZ-AWEZNQCLSA-N 1 2 331.778 3.399 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2ccnc(Cl)c2F)C1 ZINC001228580925 1375604696 /nfs/dbraw/zinc/60/46/96/1375604696.db2.gz VHIBUYCFWSEDFZ-AWEZNQCLSA-N 1 2 331.778 3.399 20 30 EGEDLO C=CCCCC(=O)NC1CC[NH+](Cc2cc(-c3ccco3)on2)CC1 ZINC001228928020 1375717760 /nfs/dbraw/zinc/71/77/60/1375717760.db2.gz TWMYEIAXCZVNTN-UHFFFAOYSA-N 1 2 343.427 3.372 20 30 EGEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(-c4ccccc4Cl)cn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230070955 1375940315 /nfs/dbraw/zinc/94/03/15/1375940315.db2.gz UTLGHVRHPCEADX-ADYDWEGLSA-N 1 2 342.826 3.393 20 30 EGEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(-c4ccccc4Cl)cn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230070955 1375940319 /nfs/dbraw/zinc/94/03/19/1375940319.db2.gz UTLGHVRHPCEADX-ADYDWEGLSA-N 1 2 342.826 3.393 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)/C=C/C(C)(C)C ZINC001231285290 1376220870 /nfs/dbraw/zinc/22/08/70/1376220870.db2.gz ZXJUNQYJTVJXHV-LKUPDRCFSA-N 1 2 343.446 3.332 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)/C=C/C(C)(C)C ZINC001231285290 1376220888 /nfs/dbraw/zinc/22/08/88/1376220888.db2.gz ZXJUNQYJTVJXHV-LKUPDRCFSA-N 1 2 343.446 3.332 20 30 EGEDLO COc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(Br)cc1O ZINC001231474835 1376248104 /nfs/dbraw/zinc/24/81/04/1376248104.db2.gz IVVHRZJKOWIFBH-NSHDSACASA-N 1 2 339.233 3.289 20 30 EGEDLO COc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)c(Br)cc1O ZINC001231474835 1376248108 /nfs/dbraw/zinc/24/81/08/1376248108.db2.gz IVVHRZJKOWIFBH-NSHDSACASA-N 1 2 339.233 3.289 20 30 EGEDLO CC(C)Oc1ncccc1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001231759169 1376318523 /nfs/dbraw/zinc/31/85/23/1376318523.db2.gz KBUIJUDWQJVWFZ-UHFFFAOYSA-N 1 2 336.439 3.063 20 30 EGEDLO CC[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(N(C)CCC#N)cc1 ZINC001231819876 1376320435 /nfs/dbraw/zinc/32/04/35/1376320435.db2.gz IGWXLHMMENWXRA-UHFFFAOYSA-N 1 2 331.460 3.200 20 30 EGEDLO CC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(N(C)CCC#N)cc1 ZINC001231819876 1376320440 /nfs/dbraw/zinc/32/04/40/1376320440.db2.gz IGWXLHMMENWXRA-UHFFFAOYSA-N 1 2 331.460 3.200 20 30 EGEDLO COC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(C#N)c(Cl)c1 ZINC001232116489 1376402454 /nfs/dbraw/zinc/40/24/54/1376402454.db2.gz MCWAIQHJMGPIQM-SFHVURJKSA-N 1 2 342.826 3.428 20 30 EGEDLO COC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C#N)c(Cl)c1 ZINC001232116489 1376402459 /nfs/dbraw/zinc/40/24/59/1376402459.db2.gz MCWAIQHJMGPIQM-SFHVURJKSA-N 1 2 342.826 3.428 20 30 EGEDLO N#Cc1ccc(O)c(C[NH+]2CCN(Cc3ccccc3Cl)CC2)c1 ZINC001232679477 1376500512 /nfs/dbraw/zinc/50/05/12/1376500512.db2.gz MTBJFXFDJJZAQI-UHFFFAOYSA-N 1 2 341.842 3.235 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232678992 1376500858 /nfs/dbraw/zinc/50/08/58/1376500858.db2.gz XJZFALWQFFUXSQ-XJKSGUPXSA-N 1 2 345.443 3.141 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(C#N)ccc1O ZINC001232678992 1376500863 /nfs/dbraw/zinc/50/08/63/1376500863.db2.gz XJZFALWQFFUXSQ-XJKSGUPXSA-N 1 2 345.443 3.141 20 30 EGEDLO N#Cc1ccc(O)c(C[NH+]2CCC(n3cnc4ccccc43)CC2)c1 ZINC001232680345 1376500984 /nfs/dbraw/zinc/50/09/84/1376500984.db2.gz CJXDQRIDUZRAPP-UHFFFAOYSA-N 1 2 332.407 3.451 20 30 EGEDLO CC(C)(C)OC(=O)NC1CC2(C1)C[NH+](Cc1ccc(C#N)s1)C2 ZINC001232844320 1376523439 /nfs/dbraw/zinc/52/34/39/1376523439.db2.gz ZBOAQTHIOFFCRZ-UHFFFAOYSA-N 1 2 333.457 3.109 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 ZINC001233079487 1376564171 /nfs/dbraw/zinc/56/41/71/1376564171.db2.gz FDUMXBPDMHIIBN-PCCBWWKXSA-N 1 2 349.434 3.073 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 ZINC001233079487 1376564176 /nfs/dbraw/zinc/56/41/76/1376564176.db2.gz FDUMXBPDMHIIBN-PCCBWWKXSA-N 1 2 349.434 3.073 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(F)(F)C(F)F ZINC001134639018 1376637203 /nfs/dbraw/zinc/63/72/03/1376637203.db2.gz WWDDMVWYJCRSMM-NWDGAFQWSA-N 1 2 349.372 3.061 20 30 EGEDLO CC/C(C)=C/C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001234142083 1376776485 /nfs/dbraw/zinc/77/64/85/1376776485.db2.gz SBSBVQVJMIHNRM-ZGUWOUCSSA-N 1 2 329.419 3.086 20 30 EGEDLO CC/C(C)=C/C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001234142083 1376776486 /nfs/dbraw/zinc/77/64/86/1376776486.db2.gz SBSBVQVJMIHNRM-ZGUWOUCSSA-N 1 2 329.419 3.086 20 30 EGEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC001136847319 1377429935 /nfs/dbraw/zinc/42/99/35/1377429935.db2.gz USJTVBVASYKSEC-LLVKDONJSA-N 1 2 337.217 3.303 20 30 EGEDLO N#C[C@@H]1CCC[N@H+](Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC001136847319 1377429936 /nfs/dbraw/zinc/42/99/36/1377429936.db2.gz USJTVBVASYKSEC-LLVKDONJSA-N 1 2 337.217 3.303 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1scnc1Cl)C2 ZINC001137820964 1377622137 /nfs/dbraw/zinc/62/21/37/1377622137.db2.gz BGUZSOUOFCJURE-WFASDCNBSA-N 1 2 328.865 3.123 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1scnc1Cl)C2 ZINC001137820964 1377622138 /nfs/dbraw/zinc/62/21/38/1377622138.db2.gz BGUZSOUOFCJURE-WFASDCNBSA-N 1 2 328.865 3.123 20 30 EGEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1c(F)ccc(F)c1F)CC2 ZINC001137928579 1377645843 /nfs/dbraw/zinc/64/58/43/1377645843.db2.gz WSKAARZHMVWSKJ-UHFFFAOYSA-N 1 2 338.373 3.247 20 30 EGEDLO C=C(C)COc1ccccc1C[NH+]1CCN(C(=O)CC(C)C)CC1 ZINC001138665880 1377765331 /nfs/dbraw/zinc/76/53/31/1377765331.db2.gz ZGIVLNJNIXPRRE-UHFFFAOYSA-N 1 2 330.472 3.332 20 30 EGEDLO C#C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(I)c2)C1 ZINC001139513610 1377895372 /nfs/dbraw/zinc/89/53/72/1377895372.db2.gz PAJHJMFTEQUUOX-LLVKDONJSA-N 1 2 343.183 3.276 20 30 EGEDLO C#C[C@@H]1CCC[N@H+](Cc2ccc(F)c(I)c2)C1 ZINC001139513610 1377895373 /nfs/dbraw/zinc/89/53/73/1377895373.db2.gz PAJHJMFTEQUUOX-LLVKDONJSA-N 1 2 343.183 3.276 20 30 EGEDLO N#Cc1ccc(F)c(CN2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC001139647135 1377925031 /nfs/dbraw/zinc/92/50/31/1377925031.db2.gz SSHVMRNFDSFVBP-UHFFFAOYSA-N 1 2 327.378 3.154 20 30 EGEDLO N#CCC1CC[NH+](Cc2[nH]nc3ccc(Br)cc32)CC1 ZINC001139658532 1377926709 /nfs/dbraw/zinc/92/67/09/1377926709.db2.gz LCTMLCXRCDULBY-UHFFFAOYSA-N 1 2 333.233 3.451 20 30 EGEDLO N#CCC1CC[NH+](Cc2n[nH]c3ccc(Br)cc32)CC1 ZINC001139658532 1377926711 /nfs/dbraw/zinc/92/67/11/1377926711.db2.gz LCTMLCXRCDULBY-UHFFFAOYSA-N 1 2 333.233 3.451 20 30 EGEDLO COc1cccnc1O[C@H]1CC[N@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139692821 1377936282 /nfs/dbraw/zinc/93/62/82/1377936282.db2.gz KWLXFLJEYMMVFV-AWEZNQCLSA-N 1 2 343.814 3.269 20 30 EGEDLO COc1cccnc1O[C@H]1CC[N@@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139692821 1377936285 /nfs/dbraw/zinc/93/62/85/1377936285.db2.gz KWLXFLJEYMMVFV-AWEZNQCLSA-N 1 2 343.814 3.269 20 30 EGEDLO COc1ccnc(O[C@@H]2CC[N@H+](Cc3cccc(Cl)c3C#N)C2)c1 ZINC001139692853 1377936322 /nfs/dbraw/zinc/93/63/22/1377936322.db2.gz MEKIRDQBRLDRDQ-OAHLLOKOSA-N 1 2 343.814 3.269 20 30 EGEDLO COc1ccnc(O[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3C#N)C2)c1 ZINC001139692853 1377936324 /nfs/dbraw/zinc/93/63/24/1377936324.db2.gz MEKIRDQBRLDRDQ-OAHLLOKOSA-N 1 2 343.814 3.269 20 30 EGEDLO N#Cc1cc(F)cc(CN2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC001139874822 1377969933 /nfs/dbraw/zinc/96/99/33/1377969933.db2.gz NLXJOXQFRGYYCY-UHFFFAOYSA-N 1 2 327.378 3.154 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3nccc4occc43)CC2)c(F)c1 ZINC001140139149 1378018705 /nfs/dbraw/zinc/01/87/05/1378018705.db2.gz IZIABWZIXHAWIA-UHFFFAOYSA-N 1 2 336.370 3.161 20 30 EGEDLO COc1ccc([C@@H]2CSCC[N@@H+]2Cc2ccc(C#N)nc2)cc1 ZINC001140544499 1378081617 /nfs/dbraw/zinc/08/16/17/1378081617.db2.gz RKOIHMWVIFGOIS-SFHVURJKSA-N 1 2 325.437 3.252 20 30 EGEDLO COc1ccc([C@@H]2CSCC[N@H+]2Cc2ccc(C#N)nc2)cc1 ZINC001140544499 1378081620 /nfs/dbraw/zinc/08/16/20/1378081620.db2.gz RKOIHMWVIFGOIS-SFHVURJKSA-N 1 2 325.437 3.252 20 30 EGEDLO Cc1ccc2c(c1)C(=O)CC1(CC[NH+](Cc3ccc(C#N)nc3)CC1)O2 ZINC001140545921 1378083062 /nfs/dbraw/zinc/08/30/62/1378083062.db2.gz PYILAOUUPOLKFX-UHFFFAOYSA-N 1 2 347.418 3.262 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC001140563841 1378086092 /nfs/dbraw/zinc/08/60/92/1378086092.db2.gz HIMIZWHJRMYJIZ-CYBMUJFWSA-N 1 2 326.799 3.356 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC001140563841 1378086093 /nfs/dbraw/zinc/08/60/93/1378086093.db2.gz HIMIZWHJRMYJIZ-CYBMUJFWSA-N 1 2 326.799 3.356 20 30 EGEDLO C=C(C)CN1C[C@@]2(F)C[N@H+](Cc3cccc4ccoc43)C[C@@]2(F)C1=O ZINC001274625774 1378130996 /nfs/dbraw/zinc/13/09/96/1378130996.db2.gz JBUBKOCQCAFGSR-RBUKOAKNSA-N 1 2 346.377 3.083 20 30 EGEDLO C=C(C)CN1C[C@@]2(F)C[N@@H+](Cc3cccc4ccoc43)C[C@@]2(F)C1=O ZINC001274625774 1378130997 /nfs/dbraw/zinc/13/09/97/1378130997.db2.gz JBUBKOCQCAFGSR-RBUKOAKNSA-N 1 2 346.377 3.083 20 30 EGEDLO C[C@](O)(C1CC[NH+](Cc2cc(F)c(C#N)c(F)c2)CC1)C(F)(F)F ZINC001140756304 1378131313 /nfs/dbraw/zinc/13/13/13/1378131313.db2.gz JLQWNCBYOYLVMN-HNNXBMFYSA-N 1 2 348.315 3.362 20 30 EGEDLO Cc1cc[nH+]c(N2CCN(Cc3cccc(C#N)c3Cl)CC2)c1 ZINC001140809712 1378148033 /nfs/dbraw/zinc/14/80/33/1378148033.db2.gz DEOJSDJGKNLAHD-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cnc(CCCC)[nH]1)C2 ZINC001141069920 1378229105 /nfs/dbraw/zinc/22/91/05/1378229105.db2.gz IPGYDKWEXMPJRH-MJGOQNOKSA-N 1 2 333.476 3.078 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cnc(CCCC)[nH]1)C2 ZINC001141069920 1378229111 /nfs/dbraw/zinc/22/91/11/1378229111.db2.gz IPGYDKWEXMPJRH-MJGOQNOKSA-N 1 2 333.476 3.078 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c[nH]c(CCCC)n1)C2 ZINC001141069920 1378229114 /nfs/dbraw/zinc/22/91/14/1378229114.db2.gz IPGYDKWEXMPJRH-MJGOQNOKSA-N 1 2 333.476 3.078 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1c[nH]c(CCCC)n1)C2 ZINC001141069920 1378229120 /nfs/dbraw/zinc/22/91/20/1378229120.db2.gz IPGYDKWEXMPJRH-MJGOQNOKSA-N 1 2 333.476 3.078 20 30 EGEDLO COc1ccc(OC2CC[NH+](Cc3ccc(F)cc3C#N)CC2)nc1 ZINC001141168743 1378258697 /nfs/dbraw/zinc/25/86/97/1378258697.db2.gz VECGQANDFIRKDG-UHFFFAOYSA-N 1 2 341.386 3.144 20 30 EGEDLO OC[C@@H]1C[C@@H](F)C[N@H+](Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001141972352 1378400269 /nfs/dbraw/zinc/40/02/69/1378400269.db2.gz HZWIKEIMVIISLQ-IAGOWNOFSA-N 1 2 329.440 3.300 20 30 EGEDLO OC[C@@H]1C[C@@H](F)C[N@@H+](Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001141972352 1378400270 /nfs/dbraw/zinc/40/02/70/1378400270.db2.gz HZWIKEIMVIISLQ-IAGOWNOFSA-N 1 2 329.440 3.300 20 30 EGEDLO N#Cc1ccc(F)c(CN2CC[NH+](Cc3ccccc3F)CC2)c1F ZINC001143170307 1378553740 /nfs/dbraw/zinc/55/37/40/1378553740.db2.gz DVOWLEJAYKGCDK-UHFFFAOYSA-N 1 2 345.368 3.293 20 30 EGEDLO CCc1nnc(C2CC[NH+](Cc3c(F)ccc(C#N)c3F)CC2)o1 ZINC001143174756 1378554232 /nfs/dbraw/zinc/55/42/32/1378554232.db2.gz XEFBHHZTLAFYPW-UHFFFAOYSA-N 1 2 332.354 3.161 20 30 EGEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001143722789 1378639079 /nfs/dbraw/zinc/63/90/79/1378639079.db2.gz GSENBOBTEWEWTG-UHFFFAOYSA-N 1 2 338.842 3.480 20 30 EGEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001143722789 1378639080 /nfs/dbraw/zinc/63/90/80/1378639080.db2.gz GSENBOBTEWEWTG-UHFFFAOYSA-N 1 2 338.842 3.480 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1nc(C)c(C)s1)CCO2 ZINC001144366945 1378721154 /nfs/dbraw/zinc/72/11/54/1378721154.db2.gz JEIPSHXANQLVSZ-FUHWJXTLSA-N 1 2 336.501 3.334 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1nc(C)c(C)s1)CCO2 ZINC001144366945 1378721157 /nfs/dbraw/zinc/72/11/57/1378721157.db2.gz JEIPSHXANQLVSZ-FUHWJXTLSA-N 1 2 336.501 3.334 20 30 EGEDLO COc1ccc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)nc1 ZINC001144437511 1378732646 /nfs/dbraw/zinc/73/26/46/1378732646.db2.gz XXCJTGJOGRNVRC-UHFFFAOYSA-N 1 2 325.387 3.287 20 30 EGEDLO C#Cc1ccc(C[N@@H+]2CCc3onc(COc4ccccn4)c3C2)cc1 ZINC001144571657 1378746016 /nfs/dbraw/zinc/74/60/16/1378746016.db2.gz DGFGWDVEQFVNBF-UHFFFAOYSA-N 1 2 345.402 3.188 20 30 EGEDLO C#Cc1ccc(C[N@H+]2CCc3onc(COc4ccccn4)c3C2)cc1 ZINC001144571657 1378746023 /nfs/dbraw/zinc/74/60/23/1378746023.db2.gz DGFGWDVEQFVNBF-UHFFFAOYSA-N 1 2 345.402 3.188 20 30 EGEDLO C#Cc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@@H](COCC(C)C)C2)cc1 ZINC001144569674 1378746030 /nfs/dbraw/zinc/74/60/30/1378746030.db2.gz WLMYJDCLLYGFCF-LJQANCHMSA-N 1 2 337.467 3.173 20 30 EGEDLO C#Cc1ccc(C[N@H+]2Cc3ncn(C)c3[C@@H](COCC(C)C)C2)cc1 ZINC001144569674 1378746033 /nfs/dbraw/zinc/74/60/33/1378746033.db2.gz WLMYJDCLLYGFCF-LJQANCHMSA-N 1 2 337.467 3.173 20 30 EGEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001146951873 1378947136 /nfs/dbraw/zinc/94/71/36/1378947136.db2.gz XIINKMHTLBUUES-HNNXBMFYSA-N 1 2 334.379 3.174 20 30 EGEDLO C#CCCCCCC(=O)N1CC2(C1)CC[N@@H+](C/C(Cl)=C\Cl)C2 ZINC001148059534 1379111144 /nfs/dbraw/zinc/11/11/44/1379111144.db2.gz BFYJKLAPPZMSSF-XNTDXEJSSA-N 1 2 343.298 3.423 20 30 EGEDLO C#CCCCCCC(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C\Cl)C2 ZINC001148059534 1379111147 /nfs/dbraw/zinc/11/11/47/1379111147.db2.gz BFYJKLAPPZMSSF-XNTDXEJSSA-N 1 2 343.298 3.423 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C/Cl)C2 ZINC001148088134 1379114477 /nfs/dbraw/zinc/11/44/77/1379114477.db2.gz IOXKYBMRLUIUJO-JNCUSGHUSA-N 1 2 331.287 3.298 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](C/C(Cl)=C/Cl)C2 ZINC001148088134 1379114481 /nfs/dbraw/zinc/11/44/81/1379114481.db2.gz IOXKYBMRLUIUJO-JNCUSGHUSA-N 1 2 331.287 3.298 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C3CC3)o1)C2 ZINC001148087777 1379114526 /nfs/dbraw/zinc/11/45/26/1379114526.db2.gz GHPYEGWOMZDUQK-LSDHHAIUSA-N 1 2 343.471 3.045 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C3CC3)o1)C2 ZINC001148087777 1379114529 /nfs/dbraw/zinc/11/45/29/1379114529.db2.gz GHPYEGWOMZDUQK-LSDHHAIUSA-N 1 2 343.471 3.045 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C)C(CC)CC)C1 ZINC001149930205 1379468543 /nfs/dbraw/zinc/46/85/43/1379468543.db2.gz JBJHLSOHFWRMJF-ZBFHGGJFSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C)C(CC)CC)C1 ZINC001149930205 1379468547 /nfs/dbraw/zinc/46/85/47/1379468547.db2.gz JBJHLSOHFWRMJF-ZBFHGGJFSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001150363039 1379539552 /nfs/dbraw/zinc/53/95/52/1379539552.db2.gz JQRUTRMSYWEVEW-GOEBONIOSA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001150363039 1379539556 /nfs/dbraw/zinc/53/95/56/1379539556.db2.gz JQRUTRMSYWEVEW-GOEBONIOSA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C(CC)(CC)CC)C1 ZINC001150527406 1379562213 /nfs/dbraw/zinc/56/22/13/1379562213.db2.gz OXRWPERPRSVKLZ-OAHLLOKOSA-N 1 2 330.900 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C(CC)(CC)CC)C1 ZINC001150527406 1379562221 /nfs/dbraw/zinc/56/22/21/1379562221.db2.gz OXRWPERPRSVKLZ-OAHLLOKOSA-N 1 2 330.900 3.162 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C[C@H](CC)C(C)C)C1 ZINC001150613102 1379579317 /nfs/dbraw/zinc/57/93/17/1379579317.db2.gz IDMDMQJVPXZFJR-JKSUJKDBSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C[C@H](CC)C(C)C)C1 ZINC001150613102 1379579321 /nfs/dbraw/zinc/57/93/21/1379579321.db2.gz IDMDMQJVPXZFJR-JKSUJKDBSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001150745736 1379605100 /nfs/dbraw/zinc/60/51/00/1379605100.db2.gz RJJSAVMODWTGDF-WMZOPIPTSA-N 1 2 340.895 3.083 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001150745736 1379605105 /nfs/dbraw/zinc/60/51/05/1379605105.db2.gz RJJSAVMODWTGDF-WMZOPIPTSA-N 1 2 340.895 3.083 20 30 EGEDLO C=C[C@@H](CC(=O)NCC[NH2+][C@H](C)c1ncc(C)o1)c1ccccc1 ZINC001151945848 1379822545 /nfs/dbraw/zinc/82/25/45/1379822545.db2.gz CMBAHFHZLZEKIM-CVEARBPZSA-N 1 2 327.428 3.110 20 30 EGEDLO O=C(c1c[nH]c2cc[nH+]cc21)N1CCC(C#Cc2ccccc2)CC1 ZINC001152977386 1380001451 /nfs/dbraw/zinc/00/14/51/1380001451.db2.gz PQFSKWPXIIJXKB-UHFFFAOYSA-N 1 2 329.403 3.467 20 30 EGEDLO N#Cc1ccc(NC(=O)c2cccc3[nH+]ccn32)c(OC(F)(F)F)c1 ZINC001154522527 1380297541 /nfs/dbraw/zinc/29/75/41/1380297541.db2.gz XNOBEGCMNXJQIV-UHFFFAOYSA-N 1 2 346.268 3.357 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1nc2c(o1)CCCC2 ZINC001155489977 1380459857 /nfs/dbraw/zinc/45/98/57/1380459857.db2.gz RSTJCRMBSXBPHT-OAHLLOKOSA-N 1 2 347.503 3.482 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc2c(o1)CCCC2 ZINC001155489977 1380459858 /nfs/dbraw/zinc/45/98/58/1380459858.db2.gz RSTJCRMBSXBPHT-OAHLLOKOSA-N 1 2 347.503 3.482 20 30 EGEDLO Cc1nc(NC(=N)c2ccc(C(F)(F)F)cc2)cc(N2CCCC2)[nH+]1 ZINC001155846081 1380498197 /nfs/dbraw/zinc/49/81/97/1380498197.db2.gz HVQDLUCHBLISRO-UHFFFAOYSA-N 1 2 349.360 3.441 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)CC ZINC001157573884 1380969243 /nfs/dbraw/zinc/96/92/43/1380969243.db2.gz RWHHUMSABSJMMA-TZMCWYRMSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)CC ZINC001157573884 1380969238 /nfs/dbraw/zinc/96/92/38/1380969238.db2.gz RWHHUMSABSJMMA-TZMCWYRMSA-N 1 2 331.298 3.254 20 30 EGEDLO C=CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1coc(C2CC2)n1 ZINC001157711376 1381011284 /nfs/dbraw/zinc/01/12/84/1381011284.db2.gz SFGWSQSQXNTLFY-QGZVFWFLSA-N 1 2 331.460 3.331 20 30 EGEDLO C=CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1coc(C2CC2)n1 ZINC001157711376 1381011289 /nfs/dbraw/zinc/01/12/89/1381011289.db2.gz SFGWSQSQXNTLFY-QGZVFWFLSA-N 1 2 331.460 3.331 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)C=C1CCC1 ZINC001157812227 1381040647 /nfs/dbraw/zinc/04/06/47/1381040647.db2.gz NYJUBLBALJEZSY-OAHLLOKOSA-N 1 2 341.293 3.318 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C=C1CCC1 ZINC001157812227 1381040649 /nfs/dbraw/zinc/04/06/49/1381040649.db2.gz NYJUBLBALJEZSY-OAHLLOKOSA-N 1 2 341.293 3.318 20 30 EGEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1csc(CC)n1 ZINC001157908130 1381067542 /nfs/dbraw/zinc/06/75/42/1381067542.db2.gz LJUFIISBIGUTSQ-QGZVFWFLSA-N 1 2 347.528 3.322 20 30 EGEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1csc(CC)n1 ZINC001157908130 1381067548 /nfs/dbraw/zinc/06/75/48/1381067548.db2.gz LJUFIISBIGUTSQ-QGZVFWFLSA-N 1 2 347.528 3.322 20 30 EGEDLO CC(C)C#CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC=C(Cl)Cl ZINC001157940431 1381076545 /nfs/dbraw/zinc/07/65/45/1381076545.db2.gz ZBCSDMWKOIMAFY-CQSZACIVSA-N 1 2 331.287 3.278 20 30 EGEDLO CC(C)C#CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC=C(Cl)Cl ZINC001157940431 1381076548 /nfs/dbraw/zinc/07/65/48/1381076548.db2.gz ZBCSDMWKOIMAFY-CQSZACIVSA-N 1 2 331.287 3.278 20 30 EGEDLO C=CCCC(=O)NCCC1=CC[N@H+](Cc2cnc(Cl)s2)CC1 ZINC001159539038 1381821546 /nfs/dbraw/zinc/82/15/46/1381821546.db2.gz YPEHXEUNTDCDLX-UHFFFAOYSA-N 1 2 339.892 3.401 20 30 EGEDLO C=CCCC(=O)NCCC1=CC[N@@H+](Cc2cnc(Cl)s2)CC1 ZINC001159539038 1381821550 /nfs/dbraw/zinc/82/15/50/1381821550.db2.gz YPEHXEUNTDCDLX-UHFFFAOYSA-N 1 2 339.892 3.401 20 30 EGEDLO N#Cc1cc2[nH]c(NC(=[NH2+])c3ccc4cc(O)ccc4c3)ccc-2n1 ZINC001160027013 1381972124 /nfs/dbraw/zinc/97/21/24/1381972124.db2.gz WTXRVMLGVVYSEK-UHFFFAOYSA-N 1 2 327.347 3.330 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@H+](Cc2nccn2CC)CC1 ZINC001160242033 1382045731 /nfs/dbraw/zinc/04/57/31/1382045731.db2.gz BDFLMYZQBVEDFM-UHFFFAOYSA-N 1 2 344.503 3.144 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@@H+](Cc2nccn2CC)CC1 ZINC001160242033 1382045738 /nfs/dbraw/zinc/04/57/38/1382045738.db2.gz BDFLMYZQBVEDFM-UHFFFAOYSA-N 1 2 344.503 3.144 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@H+](Cc2ncc(C)cn2)CC1 ZINC001160242227 1382045842 /nfs/dbraw/zinc/04/58/42/1382045842.db2.gz HBBPFPZUDUTRLA-UHFFFAOYSA-N 1 2 342.487 3.026 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@@H+](Cc2ncc(C)cn2)CC1 ZINC001160242227 1382045845 /nfs/dbraw/zinc/04/58/45/1382045845.db2.gz HBBPFPZUDUTRLA-UHFFFAOYSA-N 1 2 342.487 3.026 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCC1=CC[N@H+](Cc2ncc(C)o2)CC1 ZINC001160940801 1382243411 /nfs/dbraw/zinc/24/34/11/1382243411.db2.gz GKOYRYHOGDIFLM-GOEBONIOSA-N 1 2 331.460 3.080 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCC1=CC[N@@H+](Cc2ncc(C)o2)CC1 ZINC001160940801 1382243414 /nfs/dbraw/zinc/24/34/14/1382243414.db2.gz GKOYRYHOGDIFLM-GOEBONIOSA-N 1 2 331.460 3.080 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCC1=CC[N@H+](Cc2nccs2)CC1 ZINC001160940837 1382243816 /nfs/dbraw/zinc/24/38/16/1382243816.db2.gz GOGSICLNTUITNR-LSDHHAIUSA-N 1 2 333.501 3.240 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCC1=CC[N@@H+](Cc2nccs2)CC1 ZINC001160940837 1382243822 /nfs/dbraw/zinc/24/38/22/1382243822.db2.gz GOGSICLNTUITNR-LSDHHAIUSA-N 1 2 333.501 3.240 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@@H+]([C@H](C)c2ncccn2)CC1 ZINC001160990454 1382263786 /nfs/dbraw/zinc/26/37/86/1382263786.db2.gz AQXSVNYDEDBWFB-IAGOWNOFSA-N 1 2 342.487 3.278 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@H+]([C@H](C)c2ncccn2)CC1 ZINC001160990454 1382263790 /nfs/dbraw/zinc/26/37/90/1382263790.db2.gz AQXSVNYDEDBWFB-IAGOWNOFSA-N 1 2 342.487 3.278 20 30 EGEDLO C=C1CC(C)(C(=O)NCCC2=CC[N@H+](Cc3nccs3)CC2)C1 ZINC001161178322 1382326176 /nfs/dbraw/zinc/32/61/76/1382326176.db2.gz MNFDWWPKFZYEGU-UHFFFAOYSA-N 1 2 331.485 3.138 20 30 EGEDLO C=C1CC(C)(C(=O)NCCC2=CC[N@@H+](Cc3nccs3)CC2)C1 ZINC001161178322 1382326179 /nfs/dbraw/zinc/32/61/79/1382326179.db2.gz MNFDWWPKFZYEGU-UHFFFAOYSA-N 1 2 331.485 3.138 20 30 EGEDLO N#Cc1ccc(-c2ccc(F)cc2)nc1NC1CN(c2cccc[nH+]2)C1 ZINC001161319076 1382368974 /nfs/dbraw/zinc/36/89/74/1382368974.db2.gz JSMUTVQPVAARQK-UHFFFAOYSA-N 1 2 345.381 3.455 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1=CC[N@H+]([C@H](C)c2ncccn2)CC1 ZINC001161343594 1382375998 /nfs/dbraw/zinc/37/59/98/1382375998.db2.gz LDHOMBQVCRJIJR-MRXNPFEDSA-N 1 2 342.487 3.278 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1=CC[N@@H+]([C@H](C)c2ncccn2)CC1 ZINC001161343594 1382376001 /nfs/dbraw/zinc/37/60/01/1382376001.db2.gz LDHOMBQVCRJIJR-MRXNPFEDSA-N 1 2 342.487 3.278 20 30 EGEDLO N#Cc1cc(Cl)ncc1C(F)(F)NCc1ccc2[nH+]ccn2c1 ZINC001163139413 1382975093 /nfs/dbraw/zinc/97/50/93/1382975093.db2.gz OCZHFHRLXWEYLP-UHFFFAOYSA-N 1 2 333.729 3.093 20 30 EGEDLO Cc1ccc(NC(=NO)c2ccc(OC(F)(F)F)cc2)[nH+]c1N ZINC001163765751 1383119989 /nfs/dbraw/zinc/11/99/89/1383119989.db2.gz XPHGBSPQQJVSMW-UHFFFAOYSA-N 1 2 326.278 3.119 20 30 EGEDLO C=CCOC(=O)N1CCC2(CN(c3cc(C(C)C)[nH+]c(C)n3)C2)CC1 ZINC001163861470 1383130601 /nfs/dbraw/zinc/13/06/01/1383130601.db2.gz GRMGAYNTRAWYOC-UHFFFAOYSA-N 1 2 344.459 3.133 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC[NH2+]Cc1noc(C2CCCCC2)n1 ZINC001163860837 1383130732 /nfs/dbraw/zinc/13/07/32/1383130732.db2.gz RFUOEXPXXDIJIX-UHFFFAOYSA-N 1 2 348.491 3.316 20 30 EGEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NC[C@@H]2CCCCO2)[nH+]1 ZINC001164689179 1383218379 /nfs/dbraw/zinc/21/83/79/1383218379.db2.gz FVHPCHVXPLFOAH-BDPZVAJUSA-N 1 2 337.489 3.252 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12CN(c1cc(CCC)[nH+]c(C)n1)CCO2 ZINC001166368505 1383415932 /nfs/dbraw/zinc/41/59/32/1383415932.db2.gz YVWYRGJBAJZTQN-YLJYHZDGSA-N 1 2 345.487 3.316 20 30 EGEDLO COC(=O)c1cccc2c1CN(c1[nH+]ccc3ccc(C#N)cc31)C2 ZINC001166757591 1383473039 /nfs/dbraw/zinc/47/30/39/1383473039.db2.gz STXOCWHQIQWCOW-UHFFFAOYSA-N 1 2 329.359 3.413 20 30 EGEDLO N#CCCCCNc1c2[nH+]ccn2ccc1I ZINC001168429512 1383903807 /nfs/dbraw/zinc/90/38/07/1383903807.db2.gz SVDDAMCFCLCKHG-UHFFFAOYSA-N 1 2 340.168 3.045 20 30 EGEDLO C[C@H]1[C@H](c2cccc(F)c2)OCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC001307870268 1384046224 /nfs/dbraw/zinc/04/62/24/1384046224.db2.gz YXMYEHBHSGLMJR-VHKYSDTDSA-N 1 2 340.398 3.193 20 30 EGEDLO C[C@H]1[C@H](c2cccc(F)c2)OCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC001307870268 1384046227 /nfs/dbraw/zinc/04/62/27/1384046227.db2.gz YXMYEHBHSGLMJR-VHKYSDTDSA-N 1 2 340.398 3.193 20 30 EGEDLO C=C[C@@H]1C[C@@]1(Nc1cc2c3c(c1)CCC[NH+]3CCC2)C(=O)OCC ZINC001170921457 1384411509 /nfs/dbraw/zinc/41/15/09/1384411509.db2.gz GEBWBAMUDGDVJX-UZLBHIALSA-N 1 2 326.440 3.305 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@](C)(F)[C@@H](F)C2)C[C@H]1C#N ZINC001172981610 1384895529 /nfs/dbraw/zinc/89/55/29/1384895529.db2.gz XNZROXJDQHQKSD-WSMBLCCSSA-N 1 2 343.418 3.050 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@](C)(F)[C@@H](F)C2)C[C@H]1C#N ZINC001172981610 1384895531 /nfs/dbraw/zinc/89/55/31/1384895531.db2.gz XNZROXJDQHQKSD-WSMBLCCSSA-N 1 2 343.418 3.050 20 30 EGEDLO C=C[C@@H]1C[C@]1([NH2+]C1CCC(Oc2ccccc2)CC1)C(=O)OCC ZINC001173200321 1384934519 /nfs/dbraw/zinc/93/45/19/1384934519.db2.gz MBCSIFDZSFVDOQ-PCQDHPLQSA-N 1 2 329.440 3.474 20 30 EGEDLO N#Cc1cccc(F)c1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001174432545 1385108081 /nfs/dbraw/zinc/10/80/81/1385108081.db2.gz RZLCQQKGDJABFP-UHFFFAOYSA-N 1 2 341.386 3.152 20 30 EGEDLO Cc1cc(F)ccc1C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001317468048 1385161541 /nfs/dbraw/zinc/16/15/41/1385161541.db2.gz OVNCLCIEANMVGI-UHFFFAOYSA-N 1 2 343.377 3.007 20 30 EGEDLO Cc1cc(F)ccc1C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001317468048 1385161542 /nfs/dbraw/zinc/16/15/42/1385161542.db2.gz OVNCLCIEANMVGI-UHFFFAOYSA-N 1 2 343.377 3.007 20 30 EGEDLO CC(C)(C)c1noc(Nc2cccc(C[NH+]3CCOCC3)c2)c1C#N ZINC001175857037 1385423060 /nfs/dbraw/zinc/42/30/60/1385423060.db2.gz ULXWKZYUWXEPDV-UHFFFAOYSA-N 1 2 340.427 3.420 20 30 EGEDLO C[N@@H+]1CCc2c(C#N)c(Nc3c(F)cc(F)c(O)c3F)sc2C1 ZINC001176663650 1385650849 /nfs/dbraw/zinc/65/08/49/1385650849.db2.gz JXOHJGLWBACMGU-UHFFFAOYSA-N 1 2 339.342 3.474 20 30 EGEDLO C[N@H+]1CCc2c(C#N)c(Nc3c(F)cc(F)c(O)c3F)sc2C1 ZINC001176663650 1385650852 /nfs/dbraw/zinc/65/08/52/1385650852.db2.gz JXOHJGLWBACMGU-UHFFFAOYSA-N 1 2 339.342 3.474 20 30 EGEDLO C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](F)C(F)(F)F ZINC001177323989 1385914821 /nfs/dbraw/zinc/91/48/21/1385914821.db2.gz MRYZNXYJDMTAKF-CQSZACIVSA-N 1 2 338.389 3.461 20 30 EGEDLO C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)C(F)C(F)(F)F ZINC001177323989 1385914817 /nfs/dbraw/zinc/91/48/17/1385914817.db2.gz MRYZNXYJDMTAKF-CQSZACIVSA-N 1 2 338.389 3.461 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]([NH2+]Cc2nc(C3CCCC3)no2)[C@@H]1C ZINC001178805427 1386311241 /nfs/dbraw/zinc/31/12/41/1386311241.db2.gz FRJAUXOXHTZDCJ-HOCLYGCPSA-N 1 2 346.475 3.163 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCCc1ccc(F)cc1 ZINC001320055628 1386479557 /nfs/dbraw/zinc/47/95/57/1386479557.db2.gz RIRCEYCXTDMJEY-UHFFFAOYSA-N 1 2 326.843 3.291 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCCc1ccc(F)cc1 ZINC001320055628 1386479558 /nfs/dbraw/zinc/47/95/58/1386479558.db2.gz RIRCEYCXTDMJEY-UHFFFAOYSA-N 1 2 326.843 3.291 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cnc(C(C)(C)C)s1 ZINC001329623319 1389188991 /nfs/dbraw/zinc/18/89/91/1389188991.db2.gz JVQXSFXRAZBOKU-LLVKDONJSA-N 1 2 329.897 3.243 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cnc(C(C)(C)C)s1 ZINC001329623319 1389188995 /nfs/dbraw/zinc/18/89/95/1389188995.db2.gz JVQXSFXRAZBOKU-LLVKDONJSA-N 1 2 329.897 3.243 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2N2CCCC2)c1 ZINC001337009545 1389235381 /nfs/dbraw/zinc/23/53/81/1389235381.db2.gz DTFMUYINRNPEIQ-UHFFFAOYSA-N 1 2 347.462 3.339 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccccc2N2CCCC2)c1 ZINC001337009545 1389235383 /nfs/dbraw/zinc/23/53/83/1389235383.db2.gz DTFMUYINRNPEIQ-UHFFFAOYSA-N 1 2 347.462 3.339 20 30 EGEDLO C#CCCCCNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001332396194 1390104697 /nfs/dbraw/zinc/10/46/97/1390104697.db2.gz JXBFLBQQUBPVNF-CQSZACIVSA-N 1 2 334.489 3.300 20 30 EGEDLO C#CCCCCNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC001332396194 1390104699 /nfs/dbraw/zinc/10/46/99/1390104699.db2.gz JXBFLBQQUBPVNF-CQSZACIVSA-N 1 2 334.489 3.300 20 30 EGEDLO C#CCCCCNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC001332396193 1390104744 /nfs/dbraw/zinc/10/47/44/1390104744.db2.gz JXBFLBQQUBPVNF-AWEZNQCLSA-N 1 2 334.489 3.300 20 30 EGEDLO C#CCCCCNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC001332396193 1390104747 /nfs/dbraw/zinc/10/47/47/1390104747.db2.gz JXBFLBQQUBPVNF-AWEZNQCLSA-N 1 2 334.489 3.300 20 30 EGEDLO S=C(N[NH+]=Cc1ccc(N2CCCC2)cc1)Nc1ccccn1 ZINC001333549060 1390333682 /nfs/dbraw/zinc/33/36/82/1390333682.db2.gz LZPWXGNGNQHMGO-UHFFFAOYSA-N 1 2 325.441 3.002 20 30 EGEDLO CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)C[C@@H](C)C#N ZINC001341021829 1390426772 /nfs/dbraw/zinc/42/67/72/1390426772.db2.gz MVHVOELGHPXVBG-JKSUJKDBSA-N 1 2 340.475 3.087 20 30 EGEDLO CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)C[C@@H](C)C#N ZINC001341021829 1390426774 /nfs/dbraw/zinc/42/67/74/1390426774.db2.gz MVHVOELGHPXVBG-JKSUJKDBSA-N 1 2 340.475 3.087 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1C[C@@H](CC)O[C@@H](CC)C1 ZINC001341901978 1390547145 /nfs/dbraw/zinc/54/71/45/1390547145.db2.gz GQFMZGFHXVMZHN-IXDOHACOSA-N 1 2 347.507 3.015 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1C[C@@H](CC)O[C@@H](CC)C1 ZINC001341901978 1390547146 /nfs/dbraw/zinc/54/71/46/1390547146.db2.gz GQFMZGFHXVMZHN-IXDOHACOSA-N 1 2 347.507 3.015 20 30 EGEDLO C=CC[C@@H]1CCCN(c2nnc([C@@H]3CCC[N@H+]3C)n2CC(=C)C)C1 ZINC001341902739 1390547342 /nfs/dbraw/zinc/54/73/42/1390547342.db2.gz JYCMIYYTKXIAIN-SJORKVTESA-N 1 2 329.492 3.413 20 30 EGEDLO C=CC[C@@H]1CCCN(c2nnc([C@@H]3CCC[N@@H+]3C)n2CC(=C)C)C1 ZINC001341902739 1390547345 /nfs/dbraw/zinc/54/73/45/1390547345.db2.gz JYCMIYYTKXIAIN-SJORKVTESA-N 1 2 329.492 3.413 20 30 EGEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N(C)Cc1ccccc1 ZINC001342099634 1390571710 /nfs/dbraw/zinc/57/17/10/1390571710.db2.gz JZMLGHKZLRJTAX-UHFFFAOYSA-N 1 2 325.460 3.086 20 30 EGEDLO C#CC[N@@H+](CC)CC(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC001334728581 1390576719 /nfs/dbraw/zinc/57/67/19/1390576719.db2.gz LYUPAENMEGVOGG-UHFFFAOYSA-N 1 2 338.436 3.185 20 30 EGEDLO C#CC[N@H+](CC)CC(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC001334728581 1390576722 /nfs/dbraw/zinc/57/67/22/1390576722.db2.gz LYUPAENMEGVOGG-UHFFFAOYSA-N 1 2 338.436 3.185 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](CF)C1 ZINC001342329851 1390601662 /nfs/dbraw/zinc/60/16/62/1390601662.db2.gz QSJNJDNWEUFWAK-CVEARBPZSA-N 1 2 335.471 3.197 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](CF)C1 ZINC001342329851 1390601665 /nfs/dbraw/zinc/60/16/65/1390601665.db2.gz QSJNJDNWEUFWAK-CVEARBPZSA-N 1 2 335.471 3.197 20 30 EGEDLO N#CCC[C@@H](C#N)C[NH2+]C[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC001335400524 1390680047 /nfs/dbraw/zinc/68/00/47/1390680047.db2.gz QSHRZUXZVMSRAJ-FZMZJTMJSA-N 1 2 345.752 3.123 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCc2ccccc2C1 ZINC001343546521 1390721854 /nfs/dbraw/zinc/72/18/54/1390721854.db2.gz QMFNEJYTFCOIIA-SFHVURJKSA-N 1 2 337.471 3.184 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCc2ccccc2C1 ZINC001343546521 1390721856 /nfs/dbraw/zinc/72/18/56/1390721856.db2.gz QMFNEJYTFCOIIA-SFHVURJKSA-N 1 2 337.471 3.184 20 30 EGEDLO C[C@@H](c1cccc(NC(=O)c2csc(C#N)c2)c1)[NH+]1CCOCC1 ZINC001344055568 1390752633 /nfs/dbraw/zinc/75/26/33/1390752633.db2.gz NNQGASTVSYNUSG-ZDUSSCGKSA-N 1 2 341.436 3.265 20 30 EGEDLO N#Cc1ccc(C(=O)OCC2CCN(c3cccc[nH+]3)CC2)c(F)c1 ZINC001345341681 1390855877 /nfs/dbraw/zinc/85/58/77/1390855877.db2.gz NBJLXXVSGOCGBT-UHFFFAOYSA-N 1 2 339.370 3.166 20 30 EGEDLO N#Cc1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1Br ZINC001354178622 1392125163 /nfs/dbraw/zinc/12/51/63/1392125163.db2.gz ULHQJAROZKYTQZ-OAHLLOKOSA-N 1 2 344.212 3.373 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CCC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001479904901 1392471788 /nfs/dbraw/zinc/47/17/88/1392471788.db2.gz ZPTBONFWDCHJPJ-KRWDZBQOSA-N 1 2 331.460 3.140 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CCC[N@H+](Cc2nc(C)oc2C)C1 ZINC001479904901 1392471789 /nfs/dbraw/zinc/47/17/89/1392471789.db2.gz ZPTBONFWDCHJPJ-KRWDZBQOSA-N 1 2 331.460 3.140 20 30 EGEDLO C[N@H+](CCNC(=O)[C@@H](c1ccccc1)C1CC1)Cc1ccccc1C#N ZINC001480890416 1393001097 /nfs/dbraw/zinc/00/10/97/1393001097.db2.gz CKKFIEHXHPLKJC-NRFANRHFSA-N 1 2 347.462 3.300 20 30 EGEDLO C[N@@H+](CCNC(=O)[C@@H](c1ccccc1)C1CC1)Cc1ccccc1C#N ZINC001480890416 1393001101 /nfs/dbraw/zinc/00/11/01/1393001101.db2.gz CKKFIEHXHPLKJC-NRFANRHFSA-N 1 2 347.462 3.300 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C(C)(C)c1ccc(F)cc1 ZINC001481012828 1393089791 /nfs/dbraw/zinc/08/97/91/1393089791.db2.gz VGVLREDTORLHHA-UHFFFAOYSA-N 1 2 326.843 3.294 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C(C)(C)c1ccc(F)cc1 ZINC001481012828 1393089794 /nfs/dbraw/zinc/08/97/94/1393089794.db2.gz VGVLREDTORLHHA-UHFFFAOYSA-N 1 2 326.843 3.294 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cnc2ccsc2c1)C1CC1 ZINC001481181376 1393143081 /nfs/dbraw/zinc/14/30/81/1393143081.db2.gz URALYKSWWAQXBL-UHFFFAOYSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cnc2ccsc2c1)C1CC1 ZINC001481181376 1393143082 /nfs/dbraw/zinc/14/30/82/1393143082.db2.gz URALYKSWWAQXBL-UHFFFAOYSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)Cc1ccc(Cl)cc1)C1CC1 ZINC001481195785 1393148003 /nfs/dbraw/zinc/14/80/03/1393148003.db2.gz ZPMZDKKOEAIRFV-UHFFFAOYSA-N 1 2 327.255 3.216 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cc1ccc(Cl)cc1)C1CC1 ZINC001481195785 1393148004 /nfs/dbraw/zinc/14/80/04/1393148004.db2.gz ZPMZDKKOEAIRFV-UHFFFAOYSA-N 1 2 327.255 3.216 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](c2ccc(F)cc2)C(C)C)C1 ZINC001481662119 1394436965 /nfs/dbraw/zinc/43/69/65/1394436965.db2.gz PGCHUMOGRFHOIO-QGZVFWFLSA-N 1 2 338.854 3.366 20 30 EGEDLO Cc1cscc1C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001698986942 1406771426 /nfs/dbraw/zinc/77/14/26/1406771426.db2.gz YLOSZAZKUWMFAN-UHFFFAOYSA-N 1 2 345.443 3.271 20 30 EGEDLO Cc1cscc1C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001698986942 1406771433 /nfs/dbraw/zinc/77/14/33/1406771433.db2.gz YLOSZAZKUWMFAN-UHFFFAOYSA-N 1 2 345.443 3.271 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)C1CCC(F)(F)CC1 ZINC001698996971 1406796156 /nfs/dbraw/zinc/79/61/56/1406796156.db2.gz ILUSNNMNWGCIMB-UHFFFAOYSA-N 1 2 349.425 3.274 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)C1CCC(F)(F)CC1 ZINC001698996971 1406796165 /nfs/dbraw/zinc/79/61/65/1406796165.db2.gz ILUSNNMNWGCIMB-UHFFFAOYSA-N 1 2 349.425 3.274 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1cccc(Cl)c1F ZINC001698997482 1406797754 /nfs/dbraw/zinc/79/77/54/1406797754.db2.gz OOAFMHYBMKXXJK-UHFFFAOYSA-N 1 2 333.234 3.164 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1cccc(Cl)c1F ZINC001698997482 1406797755 /nfs/dbraw/zinc/79/77/55/1406797755.db2.gz OOAFMHYBMKXXJK-UHFFFAOYSA-N 1 2 333.234 3.164 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc2ccc(F)cc2s1 ZINC001492322982 1396319365 /nfs/dbraw/zinc/31/93/65/1396319365.db2.gz YEJGKEUAUPGYRD-UHFFFAOYSA-N 1 2 326.824 3.455 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc2ccc(F)cc2s1 ZINC001492322982 1396319366 /nfs/dbraw/zinc/31/93/66/1396319366.db2.gz YEJGKEUAUPGYRD-UHFFFAOYSA-N 1 2 326.824 3.455 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cc(Cl)ccc1OC ZINC001722913664 1424245197 /nfs/dbraw/zinc/24/51/97/1424245197.db2.gz LJLGZGSBTFOZOE-NSHDSACASA-N 1 2 331.243 3.151 20 30 EGEDLO CCC(CC)CC(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001690107712 1404305002 /nfs/dbraw/zinc/30/50/02/1404305002.db2.gz YJKNQXSUTBNQTF-QGZVFWFLSA-N 1 2 331.435 3.214 20 30 EGEDLO CCC(CC)CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001690107712 1404305010 /nfs/dbraw/zinc/30/50/10/1404305010.db2.gz YJKNQXSUTBNQTF-QGZVFWFLSA-N 1 2 331.435 3.214 20 30 EGEDLO Cc1ccc(F)cc1C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001690966640 1404873458 /nfs/dbraw/zinc/87/34/58/1404873458.db2.gz NODIMLNNQCWUFU-UHFFFAOYSA-N 1 2 343.377 3.007 20 30 EGEDLO Cc1ccc(F)cc1C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001690966640 1404873466 /nfs/dbraw/zinc/87/34/66/1404873466.db2.gz NODIMLNNQCWUFU-UHFFFAOYSA-N 1 2 343.377 3.007 20 30 EGEDLO C[N@H+](CCNC(=O)Cc1coc2ccccc12)Cc1ccccc1C#N ZINC001690985369 1404900111 /nfs/dbraw/zinc/90/01/11/1404900111.db2.gz COAMGHVMZDFPLJ-UHFFFAOYSA-N 1 2 347.418 3.095 20 30 EGEDLO C[N@@H+](CCNC(=O)Cc1coc2ccccc12)Cc1ccccc1C#N ZINC001690985369 1404900114 /nfs/dbraw/zinc/90/01/14/1404900114.db2.gz COAMGHVMZDFPLJ-UHFFFAOYSA-N 1 2 347.418 3.095 20 30 EGEDLO C[N@H+](CCNC(=O)c1ccc(CF)cc1)Cc1cc(C#N)ccc1F ZINC001691000287 1404915999 /nfs/dbraw/zinc/91/59/99/1404915999.db2.gz ATVBLYHZOYAZDW-UHFFFAOYSA-N 1 2 343.377 3.029 20 30 EGEDLO C[N@@H+](CCNC(=O)c1ccc(CF)cc1)Cc1cc(C#N)ccc1F ZINC001691000287 1404916002 /nfs/dbraw/zinc/91/60/02/1404916002.db2.gz ATVBLYHZOYAZDW-UHFFFAOYSA-N 1 2 343.377 3.029 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H](C)Cc1cccc(F)c1 ZINC001691059089 1404981696 /nfs/dbraw/zinc/98/16/96/1404981696.db2.gz OVGZVWUXSUUAKB-CYBMUJFWSA-N 1 2 326.843 3.195 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H](C)Cc1cccc(F)c1 ZINC001691059089 1404981697 /nfs/dbraw/zinc/98/16/97/1404981697.db2.gz OVGZVWUXSUUAKB-CYBMUJFWSA-N 1 2 326.843 3.195 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3cccs3)o2)C1 ZINC001692392359 1405994711 /nfs/dbraw/zinc/99/47/11/1405994711.db2.gz VSZJWMNIJKAYCM-STQMWFEESA-N 1 2 346.456 3.016 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2nnc(-c3cccs3)o2)C1 ZINC001692392359 1405994713 /nfs/dbraw/zinc/99/47/13/1405994713.db2.gz VSZJWMNIJKAYCM-STQMWFEESA-N 1 2 346.456 3.016 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC001692399749 1405997578 /nfs/dbraw/zinc/99/75/78/1405997578.db2.gz ZATKDIPGYXRRIZ-KRWDZBQOSA-N 1 2 339.439 3.388 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC001692399749 1405997581 /nfs/dbraw/zinc/99/75/81/1405997581.db2.gz ZATKDIPGYXRRIZ-KRWDZBQOSA-N 1 2 339.439 3.388 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2noc3c2CCCC3)C1 ZINC001732091864 1428358359 /nfs/dbraw/zinc/35/83/59/1428358359.db2.gz DKFZYJKBCSGBPY-HNNXBMFYSA-N 1 2 345.487 3.236 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001732091864 1428358362 /nfs/dbraw/zinc/35/83/62/1428358362.db2.gz DKFZYJKBCSGBPY-HNNXBMFYSA-N 1 2 345.487 3.236 20 30 EGEDLO CC(C)(C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1)C1CCC1 ZINC001732132635 1428379457 /nfs/dbraw/zinc/37/94/57/1428379457.db2.gz UGCARYBHRWUDMN-UHFFFAOYSA-N 1 2 343.446 3.072 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)C12CCC(CC1)C2 ZINC001732583689 1428793568 /nfs/dbraw/zinc/79/35/68/1428793568.db2.gz DYWAOMKKCCFBAC-UHFFFAOYSA-N 1 2 343.446 3.168 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)C12CCC(CC1)C2 ZINC001732583689 1428793569 /nfs/dbraw/zinc/79/35/69/1428793569.db2.gz DYWAOMKKCCFBAC-UHFFFAOYSA-N 1 2 343.446 3.168 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccc(COC(C)C)cc1 ZINC001732598683 1428843527 /nfs/dbraw/zinc/84/35/27/1428843527.db2.gz RSIZROFTRKFBCN-UHFFFAOYSA-N 1 2 338.879 3.368 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccc(COC(C)C)cc1 ZINC001732598683 1428843532 /nfs/dbraw/zinc/84/35/32/1428843532.db2.gz RSIZROFTRKFBCN-UHFFFAOYSA-N 1 2 338.879 3.368 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)CN(C)c2ccccc2)C1 ZINC001713721902 1418495993 /nfs/dbraw/zinc/49/59/93/1418495993.db2.gz AWBRYLOEDSUJAK-GOSISDBHSA-N 1 2 349.906 3.188 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)CN(C)c2ccccc2)C1 ZINC001713721902 1418495995 /nfs/dbraw/zinc/49/59/95/1418495995.db2.gz AWBRYLOEDSUJAK-GOSISDBHSA-N 1 2 349.906 3.188 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CCc2ccc(CC)cc2)C1 ZINC001714021495 1418803982 /nfs/dbraw/zinc/80/39/82/1418803982.db2.gz NGZFROSMMLBRQR-GOSISDBHSA-N 1 2 334.891 3.467 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CCc2ccc(CC)cc2)C1 ZINC001714021495 1418803983 /nfs/dbraw/zinc/80/39/83/1418803983.db2.gz NGZFROSMMLBRQR-GOSISDBHSA-N 1 2 334.891 3.467 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)C1(c2ccccc2)CCC1)C1CC1 ZINC001714665454 1419453475 /nfs/dbraw/zinc/45/34/75/1419453475.db2.gz COJFECWEBUGZKQ-UHFFFAOYSA-N 1 2 332.875 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)C1(c2ccccc2)CCC1)C1CC1 ZINC001714665454 1419453476 /nfs/dbraw/zinc/45/34/76/1419453476.db2.gz COJFECWEBUGZKQ-UHFFFAOYSA-N 1 2 332.875 3.441 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](Cc2ccccc2)C(C)C)C1 ZINC001714976183 1419710676 /nfs/dbraw/zinc/71/06/76/1419710676.db2.gz UCSCLCZEJGPVKB-SFHVURJKSA-N 1 2 334.891 3.302 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCC1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001715482555 1420161764 /nfs/dbraw/zinc/16/17/64/1420161764.db2.gz UIOWUYYCHBDLMJ-LBPRGKRZSA-N 1 2 344.780 3.200 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCC1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001715482555 1420161766 /nfs/dbraw/zinc/16/17/66/1420161766.db2.gz UIOWUYYCHBDLMJ-LBPRGKRZSA-N 1 2 344.780 3.200 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCC1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001715482555 1420161768 /nfs/dbraw/zinc/16/17/68/1420161768.db2.gz UIOWUYYCHBDLMJ-LBPRGKRZSA-N 1 2 344.780 3.200 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCC1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001715482555 1420161770 /nfs/dbraw/zinc/16/17/70/1420161770.db2.gz UIOWUYYCHBDLMJ-LBPRGKRZSA-N 1 2 344.780 3.200 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)[C@H]1CCCCC1(F)F ZINC001715910830 1420393530 /nfs/dbraw/zinc/39/35/30/1420393530.db2.gz ZCXSPKAECZGHIL-QGZVFWFLSA-N 1 2 349.425 3.274 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)[C@H]1CCCCC1(F)F ZINC001715910830 1420393533 /nfs/dbraw/zinc/39/35/33/1420393533.db2.gz ZCXSPKAECZGHIL-QGZVFWFLSA-N 1 2 349.425 3.274 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(C)c2ccccc2n1 ZINC001716029323 1420487047 /nfs/dbraw/zinc/48/70/47/1420487047.db2.gz SSEWEKHWIOWWIV-CQSZACIVSA-N 1 2 331.847 3.346 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(C)c2ccccc2n1 ZINC001716029323 1420487051 /nfs/dbraw/zinc/48/70/51/1420487051.db2.gz SSEWEKHWIOWWIV-CQSZACIVSA-N 1 2 331.847 3.346 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C2(CCC)CC2)C[C@@H]1C ZINC001717337689 1421275220 /nfs/dbraw/zinc/27/52/20/1421275220.db2.gz MICZOTSNHNKTKJ-UONOGXRCSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C2(CCC)CC2)C[C@@H]1C ZINC001717337689 1421275221 /nfs/dbraw/zinc/27/52/21/1421275221.db2.gz MICZOTSNHNKTKJ-UONOGXRCSA-N 1 2 343.309 3.444 20 30 EGEDLO CCC(=O)NC[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(C#N)s1 ZINC001717343468 1421281865 /nfs/dbraw/zinc/28/18/65/1421281865.db2.gz PSPAUOIVISIRRV-SFHVURJKSA-N 1 2 339.464 3.245 20 30 EGEDLO CCC(=O)NC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001717343468 1421281866 /nfs/dbraw/zinc/28/18/66/1421281866.db2.gz PSPAUOIVISIRRV-SFHVURJKSA-N 1 2 339.464 3.245 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cc(Cl)ccc1OC ZINC001722913664 1424245195 /nfs/dbraw/zinc/24/51/95/1424245195.db2.gz LJLGZGSBTFOZOE-NSHDSACASA-N 1 2 331.243 3.151 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@](C)(CNC(=O)C(C)(C)C)C1 ZINC001724343779 1424842938 /nfs/dbraw/zinc/84/29/38/1424842938.db2.gz SQOGBMXMOWKARL-OAHLLOKOSA-N 1 2 331.298 3.159 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)C)C1 ZINC001724343779 1424842943 /nfs/dbraw/zinc/84/29/43/1424842943.db2.gz SQOGBMXMOWKARL-OAHLLOKOSA-N 1 2 331.298 3.159 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)[C@H](C)C(C)(C)C ZINC001733774579 1430016506 /nfs/dbraw/zinc/01/65/06/1430016506.db2.gz XESUQQSKUISDCP-ZDUSSCGKSA-N 1 2 333.314 3.358 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)[C@H](C)C(C)(C)C ZINC001733774579 1430016520 /nfs/dbraw/zinc/01/65/20/1430016520.db2.gz XESUQQSKUISDCP-ZDUSSCGKSA-N 1 2 333.314 3.358 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1noc(C(C)C)n1 ZINC001752158292 1440148028 /nfs/dbraw/zinc/14/80/28/1440148028.db2.gz MFOUNUKHOKRKOQ-HZPDHXFCSA-N 1 2 348.491 3.409 20 30 EGEDLO CCCC(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001752396116 1440174059 /nfs/dbraw/zinc/17/40/59/1440174059.db2.gz VOCCHDZBYQOCNY-MRXNPFEDSA-N 1 2 331.435 3.214 20 30 EGEDLO CCCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001752396116 1440174060 /nfs/dbraw/zinc/17/40/60/1440174060.db2.gz VOCCHDZBYQOCNY-MRXNPFEDSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)c2nccs2)CC1 ZINC001752440026 1440181082 /nfs/dbraw/zinc/18/10/82/1440181082.db2.gz SMRGMUBFOIRFGP-UHFFFAOYSA-N 1 2 327.881 3.212 20 30 EGEDLO C=C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(F)(F)C(F)F)C1)c1ccccc1 ZINC001752775561 1440206849 /nfs/dbraw/zinc/20/68/49/1440206849.db2.gz NYAQRPKGWJQEHP-HZSPNIEDSA-N 1 2 344.352 3.093 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ncc(C)s2)C1 ZINC001752992755 1440260056 /nfs/dbraw/zinc/26/00/56/1440260056.db2.gz SELGBNDDHJXVDJ-OAHLLOKOSA-N 1 2 335.517 3.477 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ncc(C)s2)C1 ZINC001752992755 1440260057 /nfs/dbraw/zinc/26/00/57/1440260057.db2.gz SELGBNDDHJXVDJ-OAHLLOKOSA-N 1 2 335.517 3.477 20 30 EGEDLO C[N@H+](CCNC(=O)C1[C@@H]2CCCCCC[C@@H]12)Cc1ccccc1C#N ZINC001753065116 1440285022 /nfs/dbraw/zinc/28/50/22/1440285022.db2.gz DSQQVDLPPVWHTE-RTBURBONSA-N 1 2 339.483 3.323 20 30 EGEDLO C[N@@H+](CCNC(=O)C1[C@@H]2CCCCCC[C@@H]12)Cc1ccccc1C#N ZINC001753065116 1440285023 /nfs/dbraw/zinc/28/50/23/1440285023.db2.gz DSQQVDLPPVWHTE-RTBURBONSA-N 1 2 339.483 3.323 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccc(F)c2ccncc12 ZINC001753087376 1440297079 /nfs/dbraw/zinc/29/70/79/1440297079.db2.gz CISVHTZBEDVADL-UHFFFAOYSA-N 1 2 335.810 3.178 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccc(F)c2ccncc12 ZINC001753087376 1440297080 /nfs/dbraw/zinc/29/70/80/1440297080.db2.gz CISVHTZBEDVADL-UHFFFAOYSA-N 1 2 335.810 3.178 20 30 EGEDLO C=C[C@@H](C(=O)NCC[N@@H+](CC)Cc1nc(C)oc1C)c1ccccc1 ZINC001753094482 1440301692 /nfs/dbraw/zinc/30/16/92/1440301692.db2.gz AKRDDAHGSUGNEH-GOSISDBHSA-N 1 2 341.455 3.199 20 30 EGEDLO C=C[C@@H](C(=O)NCC[N@H+](CC)Cc1nc(C)oc1C)c1ccccc1 ZINC001753094482 1440301693 /nfs/dbraw/zinc/30/16/93/1440301693.db2.gz AKRDDAHGSUGNEH-GOSISDBHSA-N 1 2 341.455 3.199 20 30 EGEDLO CC(C)C#CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC001753103620 1440305263 /nfs/dbraw/zinc/30/52/63/1440305263.db2.gz BIBNBHWDFFLDJM-OAHLLOKOSA-N 1 2 336.838 3.219 20 30 EGEDLO CC(C)C#CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC001753103620 1440305264 /nfs/dbraw/zinc/30/52/64/1440305264.db2.gz BIBNBHWDFFLDJM-OAHLLOKOSA-N 1 2 336.838 3.219 20 30 EGEDLO CC(C)C#CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1Cl ZINC001753106141 1440306163 /nfs/dbraw/zinc/30/61/63/1440306163.db2.gz UVAGDQAYKWXDTI-MRXNPFEDSA-N 1 2 336.838 3.219 20 30 EGEDLO CC(C)C#CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(F)cc1Cl ZINC001753106141 1440306164 /nfs/dbraw/zinc/30/61/64/1440306164.db2.gz UVAGDQAYKWXDTI-MRXNPFEDSA-N 1 2 336.838 3.219 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(-c2ccco2)on1 ZINC001753106619 1440306582 /nfs/dbraw/zinc/30/65/82/1440306582.db2.gz QKMXFBLOIHPCNS-MRXNPFEDSA-N 1 2 343.427 3.372 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1CCC[N@H+]1Cc1cc(-c2ccco2)on1 ZINC001753106619 1440306583 /nfs/dbraw/zinc/30/65/83/1440306583.db2.gz QKMXFBLOIHPCNS-MRXNPFEDSA-N 1 2 343.427 3.372 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)C1(CC)CCC1 ZINC001753110484 1440308270 /nfs/dbraw/zinc/30/82/70/1440308270.db2.gz OEXSCHGNTXLKKY-ZDUSSCGKSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)C1(CC)CCC1 ZINC001753110484 1440308269 /nfs/dbraw/zinc/30/82/69/1440308269.db2.gz OEXSCHGNTXLKKY-ZDUSSCGKSA-N 1 2 329.282 3.056 20 30 EGEDLO CC1(C)CC(C(=O)NCC[N@H+](Cc2cc(F)ccc2C#N)C2CC2)C1 ZINC001753153627 1440329426 /nfs/dbraw/zinc/32/94/26/1440329426.db2.gz ZYSKIMVNNISEGE-UHFFFAOYSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC(C(=O)NCC[N@@H+](Cc2cc(F)ccc2C#N)C2CC2)C1 ZINC001753153627 1440329427 /nfs/dbraw/zinc/32/94/27/1440329427.db2.gz ZYSKIMVNNISEGE-UHFFFAOYSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cccc(F)c1OCC)C1CC1 ZINC001753162304 1440334633 /nfs/dbraw/zinc/33/46/33/1440334633.db2.gz ZZSPNVBYZRCAFP-UHFFFAOYSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cccc(F)c1OCC)C1CC1 ZINC001753162304 1440334634 /nfs/dbraw/zinc/33/46/34/1440334634.db2.gz ZZSPNVBYZRCAFP-UHFFFAOYSA-N 1 2 340.826 3.171 20 30 EGEDLO CCCN(C(=O)C#CC(C)(C)C)[C@@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001753316191 1440359767 /nfs/dbraw/zinc/35/97/67/1440359767.db2.gz NEQCXIKJNXWEOA-MRXNPFEDSA-N 1 2 347.528 3.314 20 30 EGEDLO CCCN(C(=O)C#CC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001753316191 1440359768 /nfs/dbraw/zinc/35/97/68/1440359768.db2.gz NEQCXIKJNXWEOA-MRXNPFEDSA-N 1 2 347.528 3.314 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cn3ccccc3n2)C1 ZINC001753322505 1440364498 /nfs/dbraw/zinc/36/44/98/1440364498.db2.gz HKRWXRKXRKBOOM-OAHLLOKOSA-N 1 2 346.862 3.013 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cn3ccccc3n2)C1 ZINC001753322505 1440364499 /nfs/dbraw/zinc/36/44/99/1440364499.db2.gz HKRWXRKXRKBOOM-OAHLLOKOSA-N 1 2 346.862 3.013 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2n[nH]c3ccccc32)C1 ZINC001753323499 1440365058 /nfs/dbraw/zinc/36/50/58/1440365058.db2.gz NXOBWNIEZBUCDZ-CQSZACIVSA-N 1 2 346.862 3.242 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2n[nH]c3ccccc32)C1 ZINC001753323499 1440365059 /nfs/dbraw/zinc/36/50/59/1440365059.db2.gz NXOBWNIEZBUCDZ-CQSZACIVSA-N 1 2 346.862 3.242 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2CC)C1 ZINC001753327277 1440367412 /nfs/dbraw/zinc/36/74/12/1440367412.db2.gz JRTAPGLCGPMCKG-RBSFLKMASA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2CC)C1 ZINC001753327277 1440367413 /nfs/dbraw/zinc/36/74/13/1440367413.db2.gz JRTAPGLCGPMCKG-RBSFLKMASA-N 1 2 343.309 3.254 20 30 EGEDLO C=CCCC(=O)NCC1C[NH+](Cc2nc(-c3ccccc3)cs2)C1 ZINC001753397956 1440390525 /nfs/dbraw/zinc/39/05/25/1440390525.db2.gz WJOSTKDLYSEOGV-UHFFFAOYSA-N 1 2 341.480 3.324 20 30 EGEDLO C=C(C)CCC(=O)N(C)[C@H]1CC[N@@H+]([C@@H](C)c2nc(CCCC)no2)C1 ZINC001753437457 1440400604 /nfs/dbraw/zinc/40/06/04/1440400604.db2.gz WROQUXNCYAODTM-HOTGVXAUSA-N 1 2 348.491 3.362 20 30 EGEDLO C=C(C)CCC(=O)N(C)[C@H]1CC[N@H+]([C@@H](C)c2nc(CCCC)no2)C1 ZINC001753437457 1440400605 /nfs/dbraw/zinc/40/06/05/1440400605.db2.gz WROQUXNCYAODTM-HOTGVXAUSA-N 1 2 348.491 3.362 20 30 EGEDLO C=CCCC(=O)N1CCC2(C[NH+](Cc3cc(O)ccc3Cl)C2)CC1 ZINC001753672871 1440462675 /nfs/dbraw/zinc/46/26/75/1440462675.db2.gz OUXSGMPBHZJNSW-UHFFFAOYSA-N 1 2 348.874 3.436 20 30 EGEDLO CN(CC[N@H+](C)Cc1cc(F)ccc1C#N)C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001753857677 1440509711 /nfs/dbraw/zinc/50/97/11/1440509711.db2.gz XLVKCRXDXDOLCU-GDIGMMSISA-N 1 2 343.446 3.024 20 30 EGEDLO CN(CC[N@@H+](C)Cc1cc(F)ccc1C#N)C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001753857677 1440509712 /nfs/dbraw/zinc/50/97/12/1440509712.db2.gz XLVKCRXDXDOLCU-GDIGMMSISA-N 1 2 343.446 3.024 20 30 EGEDLO C=CCC1(C(=O)N[C@H](C)C[NH2+][C@H](C)c2nc(C3CC3)no2)CCCC1 ZINC001754256968 1440559510 /nfs/dbraw/zinc/55/95/10/1440559510.db2.gz XCISJXRHIPQVBO-ZIAGYGMSSA-N 1 2 346.475 3.239 20 30 EGEDLO CC(C)[C@@H](C)C(=O)NC1(C)CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001754630971 1440647795 /nfs/dbraw/zinc/64/77/95/1440647795.db2.gz ROAARUZACZNMJZ-OAHLLOKOSA-N 1 2 345.462 3.460 20 30 EGEDLO C#CCN(C(=O)C1CC(C)C1)C1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC001754636350 1440648680 /nfs/dbraw/zinc/64/86/80/1440648680.db2.gz JIUNRKINUBWMSE-PTNGSMBKSA-N 1 2 343.298 3.278 20 30 EGEDLO CCCCCCC[N@@H+]1CC[C@](C)(NC(=O)C(F)C(F)(F)F)C1 ZINC001754673448 1440658940 /nfs/dbraw/zinc/65/89/40/1440658940.db2.gz APOSJFAHMOUUQV-JSGCOSHPSA-N 1 2 326.378 3.438 20 30 EGEDLO CCCCCCC[N@H+]1CC[C@](C)(NC(=O)C(F)C(F)(F)F)C1 ZINC001754673448 1440658941 /nfs/dbraw/zinc/65/89/41/1440658941.db2.gz APOSJFAHMOUUQV-JSGCOSHPSA-N 1 2 326.378 3.438 20 30 EGEDLO CCCCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001754673448 1440658942 /nfs/dbraw/zinc/65/89/42/1440658942.db2.gz APOSJFAHMOUUQV-JSGCOSHPSA-N 1 2 326.378 3.438 20 30 EGEDLO CCCCCCC[N@H+]1CC[C@](C)(NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001754673448 1440658943 /nfs/dbraw/zinc/65/89/43/1440658943.db2.gz APOSJFAHMOUUQV-JSGCOSHPSA-N 1 2 326.378 3.438 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C)CC)C1 ZINC001754723177 1440674160 /nfs/dbraw/zinc/67/41/60/1440674160.db2.gz HQMOBGSEAIKLGP-WFASDCNBSA-N 1 2 331.298 3.159 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C)CC)C1 ZINC001754723177 1440674161 /nfs/dbraw/zinc/67/41/61/1440674161.db2.gz HQMOBGSEAIKLGP-WFASDCNBSA-N 1 2 331.298 3.159 20 30 EGEDLO C/C=C(\C)C(=O)NC[C@]1(C)CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001754724839 1440675431 /nfs/dbraw/zinc/67/54/31/1440675431.db2.gz HXHJOIWPYFVCFC-QXAHNEEPSA-N 1 2 343.446 3.382 20 30 EGEDLO C/C=C(\C)C(=O)NC[C@]1(C)CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001754724839 1440675432 /nfs/dbraw/zinc/67/54/32/1440675432.db2.gz HXHJOIWPYFVCFC-QXAHNEEPSA-N 1 2 343.446 3.382 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)CCC[N@@H+]([C@@H](C)c2nc(CC)no2)C1 ZINC001754729306 1440678138 /nfs/dbraw/zinc/67/81/38/1440678138.db2.gz HPQZQQYMGQVWAF-IFXJQAMLSA-N 1 2 348.491 3.124 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)CCC[N@H+]([C@@H](C)c2nc(CC)no2)C1 ZINC001754729306 1440678139 /nfs/dbraw/zinc/67/81/39/1440678139.db2.gz HPQZQQYMGQVWAF-IFXJQAMLSA-N 1 2 348.491 3.124 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2nnc(CC)[nH]2)CC1 ZINC001755024698 1440728149 /nfs/dbraw/zinc/72/81/49/1440728149.db2.gz GNRWIBJWNJOYSO-CABCVRRESA-N 1 2 347.507 3.001 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2nnc(CC)[nH]2)CC1 ZINC001755024698 1440728150 /nfs/dbraw/zinc/72/81/50/1440728150.db2.gz GNRWIBJWNJOYSO-CABCVRRESA-N 1 2 347.507 3.001 20 30 EGEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C(C)(CC)CC ZINC001755075803 1440748738 /nfs/dbraw/zinc/74/87/38/1440748738.db2.gz NIOVSCJIRVNNSI-IBGZPJMESA-N 1 2 326.484 3.379 20 30 EGEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C(C)(CC)CC ZINC001755075803 1440748739 /nfs/dbraw/zinc/74/87/39/1440748739.db2.gz NIOVSCJIRVNNSI-IBGZPJMESA-N 1 2 326.484 3.379 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@H+](Cc2nccc(C)n2)CC1(C)C ZINC001755140634 1440760190 /nfs/dbraw/zinc/76/01/90/1440760190.db2.gz BLTIRUDGTRZYHL-IAGOWNOFSA-N 1 2 344.503 3.104 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@@H+](Cc2nccc(C)n2)CC1(C)C ZINC001755140634 1440760191 /nfs/dbraw/zinc/76/01/91/1440760191.db2.gz BLTIRUDGTRZYHL-IAGOWNOFSA-N 1 2 344.503 3.104 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H]1C[N@@H+](C)[C@H](C)c1nc(C(C)C)no1 ZINC001755189860 1440774429 /nfs/dbraw/zinc/77/44/29/1440774429.db2.gz UQCVVDUGNYLJCW-CABCVRRESA-N 1 2 334.464 3.143 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H]1C[N@H+](C)[C@H](C)c1nc(C(C)C)no1 ZINC001755189860 1440774430 /nfs/dbraw/zinc/77/44/30/1440774430.db2.gz UQCVVDUGNYLJCW-CABCVRRESA-N 1 2 334.464 3.143 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)C1(C)CCC1 ZINC001755195981 1440777067 /nfs/dbraw/zinc/77/70/67/1440777067.db2.gz BRHFURLJKGZDFJ-ZDUSSCGKSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(C)CCC1 ZINC001755195981 1440777068 /nfs/dbraw/zinc/77/70/68/1440777068.db2.gz BRHFURLJKGZDFJ-ZDUSSCGKSA-N 1 2 329.282 3.008 20 30 EGEDLO C#CCCCC(=O)NC[C@H](C)[N@H+](C)Cc1coc(-c2cccs2)n1 ZINC001755297216 1440806843 /nfs/dbraw/zinc/80/68/43/1440806843.db2.gz VTQKJIKDVUYXPJ-AWEZNQCLSA-N 1 2 345.468 3.143 20 30 EGEDLO C#CCCCC(=O)NC[C@H](C)[N@@H+](C)Cc1coc(-c2cccs2)n1 ZINC001755297216 1440806844 /nfs/dbraw/zinc/80/68/44/1440806844.db2.gz VTQKJIKDVUYXPJ-AWEZNQCLSA-N 1 2 345.468 3.143 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC001755307662 1440811746 /nfs/dbraw/zinc/81/17/46/1440811746.db2.gz KUHHJIOTYGGMGS-ZDUSSCGKSA-N 1 2 336.863 3.159 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC001755307662 1440811747 /nfs/dbraw/zinc/81/17/47/1440811747.db2.gz KUHHJIOTYGGMGS-ZDUSSCGKSA-N 1 2 336.863 3.159 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cn(CC)c2ccccc12 ZINC001755307687 1440811907 /nfs/dbraw/zinc/81/19/07/1440811907.db2.gz LGNPJINSJXBUCC-AWEZNQCLSA-N 1 2 333.863 3.464 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cn(CC)c2ccccc12 ZINC001755307687 1440811908 /nfs/dbraw/zinc/81/19/08/1440811908.db2.gz LGNPJINSJXBUCC-AWEZNQCLSA-N 1 2 333.863 3.464 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cccc(-n2cccc2)c1 ZINC001755308692 1440812435 /nfs/dbraw/zinc/81/24/35/1440812435.db2.gz XOARTZNFDMFFET-OAHLLOKOSA-N 1 2 331.847 3.280 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cccc(-n2cccc2)c1 ZINC001755308692 1440812436 /nfs/dbraw/zinc/81/24/36/1440812436.db2.gz XOARTZNFDMFFET-OAHLLOKOSA-N 1 2 331.847 3.280 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001755381653 1440839427 /nfs/dbraw/zinc/83/94/27/1440839427.db2.gz KCWDGQOYKNLLBM-VBKZILBWSA-N 1 2 343.446 3.236 20 30 EGEDLO CCC[C@H](C)C(=O)N[C@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001755385599 1440840483 /nfs/dbraw/zinc/84/04/83/1440840483.db2.gz ZEKALCKFIFXTMK-UONOGXRCSA-N 1 2 331.435 3.070 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@H]([NH2+]Cc2nnc(C(C)(C)C)o2)C[C@H]1C ZINC001755674062 1440894295 /nfs/dbraw/zinc/89/42/95/1440894295.db2.gz CRGPNIXKNUMNPZ-ZIAGYGMSSA-N 1 2 348.491 3.048 20 30 EGEDLO CC(C)N(CC[N@H+](C)[C@@H](C)c1ncc(C(C)(C)C)o1)C(=O)[C@@H](C)C#N ZINC001755810629 1440920121 /nfs/dbraw/zinc/92/01/21/1440920121.db2.gz GUUBCROCHHEQJY-GJZGRUSLSA-N 1 2 348.491 3.362 20 30 EGEDLO CC(C)N(CC[N@@H+](C)[C@@H](C)c1ncc(C(C)(C)C)o1)C(=O)[C@@H](C)C#N ZINC001755810629 1440920122 /nfs/dbraw/zinc/92/01/22/1440920122.db2.gz GUUBCROCHHEQJY-GJZGRUSLSA-N 1 2 348.491 3.362 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)c1cc2cnccc2o1)C(C)C ZINC001755812418 1440921008 /nfs/dbraw/zinc/92/10/08/1440921008.db2.gz PMDCBMHNRWFDCO-UHFFFAOYSA-N 1 2 335.835 3.363 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)c1cc2cnccc2o1)C(C)C ZINC001755812418 1440921009 /nfs/dbraw/zinc/92/10/09/1440921009.db2.gz PMDCBMHNRWFDCO-UHFFFAOYSA-N 1 2 335.835 3.363 20 30 EGEDLO CC#CC[NH2+]C[C@H](NC(=O)c1nc(C(C)(C)C)cs1)C(C)(C)C ZINC001755826544 1440927506 /nfs/dbraw/zinc/92/75/06/1440927506.db2.gz SFXNQVRENVZKFB-ZDUSSCGKSA-N 1 2 335.517 3.198 20 30 EGEDLO C#CCC[NH2+]C[C@@H](NC(=O)Cc1ccc(C)c(Cl)c1)C(C)(C)C ZINC001755826716 1440927537 /nfs/dbraw/zinc/92/75/37/1440927537.db2.gz WYMAVWOAYBZSDU-QGZVFWFLSA-N 1 2 334.891 3.335 20 30 EGEDLO CC#CCCCC(=O)N[C@@H](C[NH2+]CC(F)(F)C(F)F)C(C)(C)C ZINC001755829518 1440928328 /nfs/dbraw/zinc/92/83/28/1440928328.db2.gz DHAKNWLXPIWDKN-LBPRGKRZSA-N 1 2 338.389 3.201 20 30 EGEDLO C=CCCOCC(=O)N[C@H](C)C1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC001755845673 1440933281 /nfs/dbraw/zinc/93/32/81/1440933281.db2.gz UFLYOYGXZNUZCE-NWFCWYBLSA-N 1 2 349.302 3.115 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCc1ccc(C[NH2+]Cc2ccon2)cc1F ZINC001755902258 1440944291 /nfs/dbraw/zinc/94/42/91/1440944291.db2.gz QGTJOQRXUHIMPZ-IBGZPJMESA-N 1 2 345.418 3.322 20 30 EGEDLO C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000175118023 231388159 /nfs/dbraw/zinc/38/81/59/231388159.db2.gz ZAXVJMAAUAYSSG-CQSZACIVSA-N 1 2 339.443 3.122 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000187178277 283094152 /nfs/dbraw/zinc/09/41/52/283094152.db2.gz YLYGMGRPRINVBI-UHFFFAOYSA-N 1 2 331.847 3.189 20 30 EGEDLO C=CC[N@@H+](CC(=O)N(C)CC(F)(F)F)Cc1ccc(Cl)s1 ZINC000079853398 217258710 /nfs/dbraw/zinc/25/87/10/217258710.db2.gz KDBMFRSGJUZWRU-UHFFFAOYSA-N 1 2 340.798 3.410 20 30 EGEDLO C=CC[N@H+](CC(=O)N(C)CC(F)(F)F)Cc1ccc(Cl)s1 ZINC000079853398 217258716 /nfs/dbraw/zinc/25/87/16/217258716.db2.gz KDBMFRSGJUZWRU-UHFFFAOYSA-N 1 2 340.798 3.410 20 30 EGEDLO Cc1cccc(C)c1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000268568310 252029768 /nfs/dbraw/zinc/02/97/68/252029768.db2.gz UYKNRIPWNGMSIG-UHFFFAOYSA-N 1 2 333.435 3.133 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000155071657 224353704 /nfs/dbraw/zinc/35/37/04/224353704.db2.gz UFZJQBRWVKCPAO-VQTJNVASSA-N 1 2 349.434 3.349 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000155071657 224353707 /nfs/dbraw/zinc/35/37/07/224353707.db2.gz UFZJQBRWVKCPAO-VQTJNVASSA-N 1 2 349.434 3.349 20 30 EGEDLO N#Cc1ccccc1N1CC[NH+](Cc2nccn2-c2ccccc2)CC1 ZINC000191213169 153180386 /nfs/dbraw/zinc/18/03/86/153180386.db2.gz XSSDHEYJGPZXHE-UHFFFAOYSA-N 1 2 343.434 3.066 20 30 EGEDLO Cn1cc(C[NH+]2CCN(c3ccc(F)cc3Cl)CC2)cc1C#N ZINC000191432297 153196529 /nfs/dbraw/zinc/19/65/29/153196529.db2.gz YHRGQDDDJZNJOB-UHFFFAOYSA-N 1 2 332.810 3.011 20 30 EGEDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(C#N)c(F)c1 ZINC000191904162 153230029 /nfs/dbraw/zinc/23/00/29/153230029.db2.gz RMHGZVKMWZBESY-UHFFFAOYSA-N 1 2 347.340 3.436 20 30 EGEDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(C#N)c(F)c1 ZINC000191904162 153230033 /nfs/dbraw/zinc/23/00/33/153230033.db2.gz RMHGZVKMWZBESY-UHFFFAOYSA-N 1 2 347.340 3.436 20 30 EGEDLO N#Cc1cccc(COc2ccc(NC(=O)CCc3c[nH+]c[nH]3)cc2)c1 ZINC000193134215 153279755 /nfs/dbraw/zinc/27/97/55/153279755.db2.gz ZONQEKPOURLKGW-UHFFFAOYSA-N 1 2 346.390 3.432 20 30 EGEDLO N#Cc1cccc(COc2ccc(NC(=O)CCc3c[nH]c[nH+]3)cc2)c1 ZINC000193134215 153279760 /nfs/dbraw/zinc/27/97/60/153279760.db2.gz ZONQEKPOURLKGW-UHFFFAOYSA-N 1 2 346.390 3.432 20 30 EGEDLO Cc1cc(-n2cc[nH+]c2)ccc1Cn1cc(C#N)c(=O)c2ccccc21 ZINC000194535721 153344571 /nfs/dbraw/zinc/34/45/71/153344571.db2.gz NHTONSUFZORJLV-UHFFFAOYSA-N 1 2 340.386 3.416 20 30 EGEDLO Cc1noc([C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)C2CCOCC2)n1 ZINC000345319899 156053666 /nfs/dbraw/zinc/05/36/66/156053666.db2.gz CGBJJKAHSQISMT-YVEFUNNKSA-N 1 2 326.400 3.068 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000345756872 164259166 /nfs/dbraw/zinc/25/91/66/164259166.db2.gz MYKJFWGGIMMLSH-IBGZPJMESA-N 1 2 337.398 3.325 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000345756872 164259167 /nfs/dbraw/zinc/25/91/67/164259167.db2.gz MYKJFWGGIMMLSH-IBGZPJMESA-N 1 2 337.398 3.325 20 30 EGEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCc2c[nH+]cn2C)cc1 ZINC000355261486 166149241 /nfs/dbraw/zinc/14/92/41/166149241.db2.gz DWUGQIBARCALQB-UHFFFAOYSA-N 1 2 346.390 3.323 20 30 EGEDLO Cc1nc(NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(Cl)cc1C#N ZINC000359833534 167243762 /nfs/dbraw/zinc/24/37/62/167243762.db2.gz ACJRRILAPAEISQ-TXEJJXNPSA-N 1 2 336.867 3.215 20 30 EGEDLO Cc1nc(NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(Cl)cc1C#N ZINC000359833534 167243765 /nfs/dbraw/zinc/24/37/65/167243765.db2.gz ACJRRILAPAEISQ-TXEJJXNPSA-N 1 2 336.867 3.215 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(F)cc1C#N)c1ccccc1 ZINC000531437725 269936395 /nfs/dbraw/zinc/93/63/95/269936395.db2.gz AGFWBEAUEHDXQF-KRWDZBQOSA-N 1 2 349.369 3.342 20 30 EGEDLO N#Cc1cc(F)cc(OCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000421201024 270048945 /nfs/dbraw/zinc/04/89/45/270048945.db2.gz OMPMYDQGMTVTQA-UHFFFAOYSA-N 1 2 326.371 3.109 20 30 EGEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000176874530 265210438 /nfs/dbraw/zinc/21/04/38/265210438.db2.gz FYQOMZSJBOSCGH-IBGZPJMESA-N 1 2 340.398 3.304 20 30 EGEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000176874530 265210440 /nfs/dbraw/zinc/21/04/40/265210440.db2.gz FYQOMZSJBOSCGH-IBGZPJMESA-N 1 2 340.398 3.304 20 30 EGEDLO N#Cc1c(Br)cccc1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000439954581 270051886 /nfs/dbraw/zinc/05/18/86/270051886.db2.gz VIWPEBSPHBMPMQ-ZDUSSCGKSA-N 1 2 344.212 3.373 20 30 EGEDLO Cn1c[nH+]cc1CCC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000452686786 270053497 /nfs/dbraw/zinc/05/34/97/270053497.db2.gz SDUZYMQNXXYXRV-UHFFFAOYSA-N 1 2 326.400 3.040 20 30 EGEDLO Cc1c[nH+]ccc1CCNc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000480086207 270055716 /nfs/dbraw/zinc/05/57/16/270055716.db2.gz ACVXEJILMWWACK-UHFFFAOYSA-N 1 2 345.450 3.264 20 30 EGEDLO N#Cc1csc(C[N@@H+]2CCC[C@@]3(CCc4ccccc4O3)C2)n1 ZINC000528731708 270059956 /nfs/dbraw/zinc/05/99/56/270059956.db2.gz UBFROTMFUQIIRP-GOSISDBHSA-N 1 2 325.437 3.375 20 30 EGEDLO N#Cc1csc(C[N@H+]2CCC[C@@]3(CCc4ccccc4O3)C2)n1 ZINC000528731708 270059958 /nfs/dbraw/zinc/05/99/58/270059958.db2.gz UBFROTMFUQIIRP-GOSISDBHSA-N 1 2 325.437 3.375 20 30 EGEDLO CCC[N@@H+](CC#N)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000299252093 266044992 /nfs/dbraw/zinc/04/49/92/266044992.db2.gz KUHBIWZQQWWIAQ-ZDUSSCGKSA-N 1 2 344.484 3.309 20 30 EGEDLO CCC[N@H+](CC#N)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000299252093 266044994 /nfs/dbraw/zinc/04/49/94/266044994.db2.gz KUHBIWZQQWWIAQ-ZDUSSCGKSA-N 1 2 344.484 3.309 20 30 EGEDLO C[C@@H](c1c(F)cccc1F)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000298720996 267001417 /nfs/dbraw/zinc/00/14/17/267001417.db2.gz NRJIVXWRJUFJSX-ZDUSSCGKSA-N 1 2 328.366 3.115 20 30 EGEDLO Cc1nc(N2CCN(c3ccc(C(F)(F)F)cc3C#N)CC2)cc[nH+]1 ZINC000273461229 267042309 /nfs/dbraw/zinc/04/23/09/267042309.db2.gz GPNJBYBTDWAYLF-UHFFFAOYSA-N 1 2 347.344 3.002 20 30 EGEDLO C[C@@H]1CN(c2ccc(CNc3c(C#N)cccc3C#N)c[nH+]2)C[C@@H](C)O1 ZINC000302843245 267062465 /nfs/dbraw/zinc/06/24/65/267062465.db2.gz MWEWZYJMDVUVBB-HUUCEWRRSA-N 1 2 347.422 3.051 20 30 EGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCOCC2(CC2)C1 ZINC000329492195 267144463 /nfs/dbraw/zinc/14/44/63/267144463.db2.gz ZOSGKCYKRUADOF-GFCCVEGCSA-N 1 2 345.468 3.197 20 30 EGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCOCC2(CC2)C1 ZINC000329492195 267144466 /nfs/dbraw/zinc/14/44/66/267144466.db2.gz ZOSGKCYKRUADOF-GFCCVEGCSA-N 1 2 345.468 3.197 20 30 EGEDLO C[C@H](c1c(F)cccc1F)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000298720993 267206468 /nfs/dbraw/zinc/20/64/68/267206468.db2.gz NRJIVXWRJUFJSX-CYBMUJFWSA-N 1 2 328.366 3.115 20 30 EGEDLO N#Cc1cc(NCc2ccc(N3CCCCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000274210006 268013549 /nfs/dbraw/zinc/01/35/49/268013549.db2.gz KRGCEZWAGCQDPC-UHFFFAOYSA-N 1 2 337.383 3.464 20 30 EGEDLO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3c(C)cc[nH+]c3C)C2)n1 ZINC000425591434 268027780 /nfs/dbraw/zinc/02/77/80/268027780.db2.gz ZCAJMLZYRRQQDT-KRWDZBQOSA-N 1 2 349.438 3.129 20 30 EGEDLO Cc1nc(C[NH2+]Cc2cc(C#N)cs2)sc1Br ZINC000449403753 268077072 /nfs/dbraw/zinc/07/70/72/268077072.db2.gz XIEMBBCLTOCJKA-UHFFFAOYSA-N 1 2 328.260 3.437 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(O)cc3)CC2)c(Cl)c1 ZINC000439455625 268220610 /nfs/dbraw/zinc/22/06/10/268220610.db2.gz VHGPPCAAIMXRML-UHFFFAOYSA-N 1 2 327.815 3.239 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCC(C(F)(F)F)CC3)o2)c1 ZINC000330716206 268229106 /nfs/dbraw/zinc/22/91/06/268229106.db2.gz ZCUAZJRPIPJMEL-UHFFFAOYSA-N 1 2 336.317 3.383 20 30 EGEDLO N#Cc1nc(N2CCc3c([nH+]cn3-c3ccccc3)C2)ccc1Cl ZINC000349905501 274931151 /nfs/dbraw/zinc/93/11/51/274931151.db2.gz TZWYRKFGWYUUSD-UHFFFAOYSA-N 1 2 335.798 3.355 20 30 EGEDLO COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(F)cc1C#N ZINC000111692736 275184436 /nfs/dbraw/zinc/18/44/36/275184436.db2.gz YLURGEVZRIEHHU-UHFFFAOYSA-N 1 2 342.370 3.075 20 30 EGEDLO COCC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(F)cc1C#N ZINC000111692736 275184437 /nfs/dbraw/zinc/18/44/37/275184437.db2.gz YLURGEVZRIEHHU-UHFFFAOYSA-N 1 2 342.370 3.075 20 30 EGEDLO [O-]C(=[NH+]CCn1cc[nH+]c1)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000328588536 295377891 /nfs/dbraw/zinc/37/78/91/295377891.db2.gz SBNLSTYDAVMKTJ-MRXNPFEDSA-N 1 2 334.370 3.303 20 30 EGEDLO C=CC[N@@H+](CC(=O)NC(=O)NCCCC)Cc1ccc(Cl)s1 ZINC000007592149 453089307 /nfs/dbraw/zinc/08/93/07/453089307.db2.gz CZUQHTVMPHUCFG-UHFFFAOYSA-N 1 2 343.880 3.015 20 30 EGEDLO C=CC[N@H+](CC(=O)NC(=O)NCCCC)Cc1ccc(Cl)s1 ZINC000007592149 453089313 /nfs/dbraw/zinc/08/93/13/453089313.db2.gz CZUQHTVMPHUCFG-UHFFFAOYSA-N 1 2 343.880 3.015 20 30 EGEDLO N#Cc1cccc(OCC[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000066847691 307363358 /nfs/dbraw/zinc/36/33/58/307363358.db2.gz JEKPOIGDPJQSMJ-LJQANCHMSA-N 1 2 326.371 3.150 20 30 EGEDLO N#Cc1cccc(OCC[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000066847691 307363361 /nfs/dbraw/zinc/36/33/61/307363361.db2.gz JEKPOIGDPJQSMJ-LJQANCHMSA-N 1 2 326.371 3.150 20 30 EGEDLO Cc1cc(NC(=O)NCCSCc2ccccc2C#N)c(C)c[nH+]1 ZINC000535060624 314021901 /nfs/dbraw/zinc/02/19/01/314021901.db2.gz GGWDBEAOJZZFGY-UHFFFAOYSA-N 1 2 340.452 3.047 20 30 EGEDLO CC1(C)C[N@H+](CCOc2ccc(C#N)cc2)C[C@](C)(C(F)(F)F)O1 ZINC000549841752 315107629 /nfs/dbraw/zinc/10/76/29/315107629.db2.gz JCPBJBXMVLSODM-MRXNPFEDSA-N 1 2 342.361 3.369 20 30 EGEDLO CC1(C)C[N@@H+](CCOc2ccc(C#N)cc2)C[C@](C)(C(F)(F)F)O1 ZINC000549841752 315107632 /nfs/dbraw/zinc/10/76/32/315107632.db2.gz JCPBJBXMVLSODM-MRXNPFEDSA-N 1 2 342.361 3.369 20 30 EGEDLO Cc1cc(C#N)cnc1-c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000550998366 315139840 /nfs/dbraw/zinc/13/98/40/315139840.db2.gz QDBWFYMCVCTCFZ-UHFFFAOYSA-N 1 2 328.335 3.164 20 30 EGEDLO Cc1oc2nc(C[NH2+]C3(c4cccc(C#N)c4)CC3)nc(N)c2c1C ZINC000551712943 315164868 /nfs/dbraw/zinc/16/48/68/315164868.db2.gz NVFXEFRSRYOOEG-UHFFFAOYSA-N 1 2 333.395 3.072 20 30 EGEDLO N#Cc1c(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)n[nH]c1C1CC1 ZINC000571075425 317148163 /nfs/dbraw/zinc/14/81/63/317148163.db2.gz AYSYUVIRMMZULS-CQSZACIVSA-N 1 2 346.394 3.043 20 30 EGEDLO N#Cc1c2c(cnc1NCc1cc[nH+]c(N3CCCCCC3)c1)CCC2 ZINC000571553930 317216009 /nfs/dbraw/zinc/21/60/09/317216009.db2.gz ZOVGQBGUXPZEOC-UHFFFAOYSA-N 1 2 347.466 3.251 20 30 EGEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1c1ncc3c(c1C#N)CCC3)CCCC2 ZINC000571635856 317226794 /nfs/dbraw/zinc/22/67/94/317226794.db2.gz VIMIYCQAJMZUPS-IBGZPJMESA-N 1 2 347.466 3.396 20 30 EGEDLO Cc1ccc(Cl)cc1N1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000572674128 317373183 /nfs/dbraw/zinc/37/31/83/317373183.db2.gz JGFIAGQBWFAUOS-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO COc1cc(C[N@H+](C)Cc2ccc(C#N)cn2)c(SC)cc1OC ZINC000580841532 325301005 /nfs/dbraw/zinc/30/10/05/325301005.db2.gz RZLCAELXFONUBZ-UHFFFAOYSA-N 1 2 343.452 3.324 20 30 EGEDLO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cn2)c(SC)cc1OC ZINC000580841532 325301007 /nfs/dbraw/zinc/30/10/07/325301007.db2.gz RZLCAELXFONUBZ-UHFFFAOYSA-N 1 2 343.452 3.324 20 30 EGEDLO N#Cc1cc(F)c(N2CCC[C@H]2Cn2cc[nH+]c2)cc1Br ZINC000583575393 325535395 /nfs/dbraw/zinc/53/53/95/325535395.db2.gz DMDMWMNJVJYMAQ-LBPRGKRZSA-N 1 2 349.207 3.325 20 30 EGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000355701270 457404216 /nfs/dbraw/zinc/40/42/16/457404216.db2.gz HPEMHXGLKOUBID-CHWSQXEVSA-N 1 2 342.892 3.073 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000355701270 457404228 /nfs/dbraw/zinc/40/42/28/457404228.db2.gz HPEMHXGLKOUBID-CHWSQXEVSA-N 1 2 342.892 3.073 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCSc1ccc(Cl)cc1 ZINC000582608132 459395441 /nfs/dbraw/zinc/39/54/41/459395441.db2.gz BPAHXXPJQVEPSU-MRXNPFEDSA-N 1 2 339.892 3.172 20 30 EGEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612155277 460555240 /nfs/dbraw/zinc/55/52/40/460555240.db2.gz QXFSUFSIHNZJGE-KCXXTWJHSA-N 1 2 329.488 3.086 20 30 EGEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612155277 460555241 /nfs/dbraw/zinc/55/52/41/460555241.db2.gz QXFSUFSIHNZJGE-KCXXTWJHSA-N 1 2 329.488 3.086 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612162019 460556551 /nfs/dbraw/zinc/55/65/51/460556551.db2.gz JFFRNYVQIPXIQK-RDTXWAMCSA-N 1 2 333.863 3.485 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612162019 460556556 /nfs/dbraw/zinc/55/65/56/460556556.db2.gz JFFRNYVQIPXIQK-RDTXWAMCSA-N 1 2 333.863 3.485 20 30 EGEDLO Cc1cc(N)nc(S[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)[nH+]1 ZINC000007177500 453041153 /nfs/dbraw/zinc/04/11/53/453041153.db2.gz YARYWGCFCAZBBE-VIFPVBQESA-N 1 2 347.831 3.012 20 30 EGEDLO COc1ccc(F)cc1C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000007904264 453132102 /nfs/dbraw/zinc/13/21/02/453132102.db2.gz QJPSDECSKUKDTJ-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO C=CC[N@@H+](CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C)Cc1cccs1 ZINC000016395452 453605238 /nfs/dbraw/zinc/60/52/38/453605238.db2.gz KKUMOKNETZCRQC-GDBMZVCRSA-N 1 2 349.500 3.141 20 30 EGEDLO C=CC[N@H+](CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C)Cc1cccs1 ZINC000016395452 453605244 /nfs/dbraw/zinc/60/52/44/453605244.db2.gz KKUMOKNETZCRQC-GDBMZVCRSA-N 1 2 349.500 3.141 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2F)c(C#N)c1C ZINC000026211276 453795022 /nfs/dbraw/zinc/79/50/22/453795022.db2.gz RZVUHYULSGNSIW-LBPRGKRZSA-N 1 2 329.375 3.366 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2F)c(C#N)c1C ZINC000026211276 453795024 /nfs/dbraw/zinc/79/50/24/453795024.db2.gz RZVUHYULSGNSIW-LBPRGKRZSA-N 1 2 329.375 3.366 20 30 EGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1ccco1 ZINC000030277164 453834767 /nfs/dbraw/zinc/83/47/67/453834767.db2.gz IDBOYOUSACSDBN-LLVKDONJSA-N 1 2 329.425 3.160 20 30 EGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1ccco1 ZINC000030277164 453834768 /nfs/dbraw/zinc/83/47/68/453834768.db2.gz IDBOYOUSACSDBN-LLVKDONJSA-N 1 2 329.425 3.160 20 30 EGEDLO N#Cc1cccnc1N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000032534275 453877806 /nfs/dbraw/zinc/87/78/06/453877806.db2.gz OTNPPAZFVISOPX-UHFFFAOYSA-N 1 2 346.356 3.294 20 30 EGEDLO N#Cc1cccc(Oc2ccc(NC(=O)NCCn3cc[nH+]c3)cc2)c1 ZINC000066953623 453890175 /nfs/dbraw/zinc/89/01/75/453890175.db2.gz ZNWVMQFAVFPHPN-UHFFFAOYSA-N 1 2 347.378 3.369 20 30 EGEDLO N#CC1(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccccn2)CCCCC1 ZINC000032832949 453893776 /nfs/dbraw/zinc/89/37/76/453893776.db2.gz OKSPSYJCWFHHHF-HXUWFJFHSA-N 1 2 348.450 3.103 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3c(F)cccc3Cl)CC2)nc1 ZINC000054360076 453925084 /nfs/dbraw/zinc/92/50/84/453925084.db2.gz SXZGXQFXHBFKIP-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(c3nc(C)no3)CC2)c1C ZINC000069443218 454106140 /nfs/dbraw/zinc/10/61/40/454106140.db2.gz VQSVSWCBAUENJT-UHFFFAOYSA-N 1 2 342.443 3.045 20 30 EGEDLO C=CC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)Cc1ccc(Cl)s1 ZINC000069450693 454107131 /nfs/dbraw/zinc/10/71/31/454107131.db2.gz DRGDEGNWENRPHS-UHFFFAOYSA-N 1 2 343.880 3.014 20 30 EGEDLO C=CC[N@H+](CC(=O)NC(=O)NC(C)(C)C)Cc1ccc(Cl)s1 ZINC000069450693 454107133 /nfs/dbraw/zinc/10/71/33/454107133.db2.gz DRGDEGNWENRPHS-UHFFFAOYSA-N 1 2 343.880 3.014 20 30 EGEDLO N#Cc1cc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)ccc1F ZINC000077498065 454113720 /nfs/dbraw/zinc/11/37/20/454113720.db2.gz MSTNXBOBIKZCGF-UHFFFAOYSA-N 1 2 335.342 3.205 20 30 EGEDLO N#CC1CC[NH+](CC(=O)NCC2(c3ccccc3)CCCCC2)CC1 ZINC000057873224 454153967 /nfs/dbraw/zinc/15/39/67/454153967.db2.gz QYYOWBXDANFSRT-UHFFFAOYSA-N 1 2 339.483 3.240 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000046342044 454242273 /nfs/dbraw/zinc/24/22/73/454242273.db2.gz SAXNXDMTMZVHJQ-IYBDPMFKSA-N 1 2 349.434 3.420 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000046342044 454242274 /nfs/dbraw/zinc/24/22/74/454242274.db2.gz SAXNXDMTMZVHJQ-IYBDPMFKSA-N 1 2 349.434 3.420 20 30 EGEDLO N#Cc1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Br)c1 ZINC000120157800 454265036 /nfs/dbraw/zinc/26/50/36/454265036.db2.gz KKJNWTSSVOEGPK-CQSZACIVSA-N 1 2 344.212 3.373 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCO[C@H](CCC)C1 ZINC000131675739 454276133 /nfs/dbraw/zinc/27/61/33/454276133.db2.gz UHRVTUKHGWBCHA-JKSUJKDBSA-N 1 2 336.501 3.152 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCO[C@H](CCC)C1 ZINC000131675739 454276137 /nfs/dbraw/zinc/27/61/37/454276137.db2.gz UHRVTUKHGWBCHA-JKSUJKDBSA-N 1 2 336.501 3.152 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCO[C@@H](CCC)C1 ZINC000131675917 454276485 /nfs/dbraw/zinc/27/64/85/454276485.db2.gz UHRVTUKHGWBCHA-HOTGVXAUSA-N 1 2 336.501 3.152 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](CCC)C1 ZINC000131675917 454276493 /nfs/dbraw/zinc/27/64/93/454276493.db2.gz UHRVTUKHGWBCHA-HOTGVXAUSA-N 1 2 336.501 3.152 20 30 EGEDLO C=CC[N@@H+](CC(=O)N1C[C@@H](C)O[C@@H](C)C1)Cc1ccc(Cl)s1 ZINC000078667896 454295396 /nfs/dbraw/zinc/29/53/96/454295396.db2.gz RQNJYWONQYKBJV-BETUJISGSA-N 1 2 342.892 3.025 20 30 EGEDLO C=CC[N@H+](CC(=O)N1C[C@@H](C)O[C@@H](C)C1)Cc1ccc(Cl)s1 ZINC000078667896 454295399 /nfs/dbraw/zinc/29/53/99/454295399.db2.gz RQNJYWONQYKBJV-BETUJISGSA-N 1 2 342.892 3.025 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 ZINC000072483022 454295521 /nfs/dbraw/zinc/29/55/21/454295521.db2.gz HRGSFSZAAZDPRJ-SFHVURJKSA-N 1 2 345.406 3.397 20 30 EGEDLO N#Cc1cccc(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000072484594 454297242 /nfs/dbraw/zinc/29/72/42/454297242.db2.gz RVKMPDFRIHWKPQ-UHFFFAOYSA-N 1 2 331.379 3.125 20 30 EGEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000191100197 455442501 /nfs/dbraw/zinc/44/25/01/455442501.db2.gz QLVLOFZTORAHLQ-ZDUSSCGKSA-N 1 2 340.851 3.118 20 30 EGEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000191100197 455442503 /nfs/dbraw/zinc/44/25/03/455442503.db2.gz QLVLOFZTORAHLQ-ZDUSSCGKSA-N 1 2 340.851 3.118 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCS[C@H](C)[C@@H]2C)c1C#N ZINC000091069968 454376362 /nfs/dbraw/zinc/37/63/62/454376362.db2.gz ZYGUTTHIIZTWEG-LSDHHAIUSA-N 1 2 326.469 3.378 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCS[C@H](C)[C@@H]2C)c1C#N ZINC000091069968 454376370 /nfs/dbraw/zinc/37/63/70/454376370.db2.gz ZYGUTTHIIZTWEG-LSDHHAIUSA-N 1 2 326.469 3.378 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCc1ccc(C)cc1)Cc1cccc(C#N)c1 ZINC000063300757 454403057 /nfs/dbraw/zinc/40/30/57/454403057.db2.gz PTDYYBWEZLTBJT-UHFFFAOYSA-N 1 2 333.435 3.171 20 30 EGEDLO C=CC[N@H+](CC(=O)NCc1ccc(C)cc1)Cc1cccc(C#N)c1 ZINC000063300757 454403064 /nfs/dbraw/zinc/40/30/64/454403064.db2.gz PTDYYBWEZLTBJT-UHFFFAOYSA-N 1 2 333.435 3.171 20 30 EGEDLO C=CC[N@@H+](CC(=O)NC1CCC(C)CC1)Cc1cccc(C#N)c1 ZINC000063300715 454403090 /nfs/dbraw/zinc/40/30/90/454403090.db2.gz APKFAADKNFAMCD-UHFFFAOYSA-N 1 2 325.456 3.241 20 30 EGEDLO C=CC[N@H+](CC(=O)NC1CCC(C)CC1)Cc1cccc(C#N)c1 ZINC000063300715 454403095 /nfs/dbraw/zinc/40/30/95/454403095.db2.gz APKFAADKNFAMCD-UHFFFAOYSA-N 1 2 325.456 3.241 20 30 EGEDLO C=CCc1cc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cc(OC)c1O ZINC000121208573 454405997 /nfs/dbraw/zinc/40/59/97/454405997.db2.gz JUASPTDWPBUSDR-INIZCTEOSA-N 1 2 327.428 3.232 20 30 EGEDLO C=CCc1cc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cc(OC)c1O ZINC000121208573 454406002 /nfs/dbraw/zinc/40/60/02/454406002.db2.gz JUASPTDWPBUSDR-INIZCTEOSA-N 1 2 327.428 3.232 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000079485508 454422375 /nfs/dbraw/zinc/42/23/75/454422375.db2.gz ZLRXVBHBHPFAJL-UHFFFAOYSA-N 1 2 344.484 3.221 20 30 EGEDLO CCc1nnc(NCc2ccccc2-n2cc[nH+]c2)c(C#N)c1CC ZINC000091506109 454443483 /nfs/dbraw/zinc/44/34/83/454443483.db2.gz GMRHDRLREFACDV-UHFFFAOYSA-N 1 2 332.411 3.271 20 30 EGEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCc3cccc(C)c3)cn2)n1 ZINC000063864072 454456468 /nfs/dbraw/zinc/45/64/68/454456468.db2.gz VHMNVGNFNZADBX-UHFFFAOYSA-N 1 2 335.411 3.030 20 30 EGEDLO N#CCSc1cccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000080004265 454515936 /nfs/dbraw/zinc/51/59/36/454515936.db2.gz ZPZFHIMOKABTIJ-UHFFFAOYSA-N 1 2 348.431 3.418 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccc(C#N)c(Cl)c1 ZINC000122555663 454546467 /nfs/dbraw/zinc/54/64/67/454546467.db2.gz YVUNZJPPIODBJD-UHFFFAOYSA-N 1 2 338.798 3.300 20 30 EGEDLO N#Cc1csc(C[N@H+]2CCCN(C(=O)Oc3ccccc3)CC2)c1 ZINC000092939063 454656370 /nfs/dbraw/zinc/65/63/70/454656370.db2.gz AULFEJYNYACVLJ-UHFFFAOYSA-N 1 2 341.436 3.326 20 30 EGEDLO N#Cc1csc(C[N@@H+]2CCCN(C(=O)Oc3ccccc3)CC2)c1 ZINC000092939063 454656374 /nfs/dbraw/zinc/65/63/74/454656374.db2.gz AULFEJYNYACVLJ-UHFFFAOYSA-N 1 2 341.436 3.326 20 30 EGEDLO C=CCOc1ccc(C[N@@H+](CC)[C@@H](C)CS(C)(=O)=O)cc1Cl ZINC000093390067 454711501 /nfs/dbraw/zinc/71/15/01/454711501.db2.gz FDNBOZSGWVIMAB-ZDUSSCGKSA-N 1 2 345.892 3.160 20 30 EGEDLO C=CCOc1ccc(C[N@H+](CC)[C@@H](C)CS(C)(=O)=O)cc1Cl ZINC000093390067 454711506 /nfs/dbraw/zinc/71/15/06/454711506.db2.gz FDNBOZSGWVIMAB-ZDUSSCGKSA-N 1 2 345.892 3.160 20 30 EGEDLO N#CCN(Cc1c[nH+]c2ccc(Br)cn12)C1CCCC1 ZINC000093563129 454721362 /nfs/dbraw/zinc/72/13/62/454721362.db2.gz FZPKYBDYEKCCSV-UHFFFAOYSA-N 1 2 333.233 3.365 20 30 EGEDLO Cc1cc(C(=O)C[NH+]2CCC(C#N)CC2)c(C)n1Cc1ccco1 ZINC000176321751 454729165 /nfs/dbraw/zinc/72/91/65/454729165.db2.gz JPZCMBBDRUKKAZ-UHFFFAOYSA-N 1 2 325.412 3.165 20 30 EGEDLO N#CC1(NC(=O)C[N@@H+](Cc2ccccc2F)C2CC2)CCCCC1 ZINC000139994723 454814806 /nfs/dbraw/zinc/81/48/06/454814806.db2.gz RFCJGZMRIKHKDP-UHFFFAOYSA-N 1 2 329.419 3.133 20 30 EGEDLO N#CC1(NC(=O)C[N@H+](Cc2ccccc2F)C2CC2)CCCCC1 ZINC000139994723 454814808 /nfs/dbraw/zinc/81/48/08/454814808.db2.gz RFCJGZMRIKHKDP-UHFFFAOYSA-N 1 2 329.419 3.133 20 30 EGEDLO Cc1ncsc1C[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000177154425 454829379 /nfs/dbraw/zinc/82/93/79/454829379.db2.gz XTDJZFUBGKEAHF-UHFFFAOYSA-N 1 2 334.470 3.072 20 30 EGEDLO Cc1ncsc1C[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000177154425 454829382 /nfs/dbraw/zinc/82/93/82/454829382.db2.gz XTDJZFUBGKEAHF-UHFFFAOYSA-N 1 2 334.470 3.072 20 30 EGEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000164083224 454874302 /nfs/dbraw/zinc/87/43/02/454874302.db2.gz RHYJRMWOSYNRFX-UHFFFAOYSA-N 1 2 347.390 3.285 20 30 EGEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000164083224 454874306 /nfs/dbraw/zinc/87/43/06/454874306.db2.gz RHYJRMWOSYNRFX-UHFFFAOYSA-N 1 2 347.390 3.285 20 30 EGEDLO N#Cc1ccc(Nc2cccc(C(=O)NCCCn3cc[nH+]c3)c2)cc1 ZINC000154668954 454917264 /nfs/dbraw/zinc/91/72/64/454917264.db2.gz CAUPPKHOJKBIII-UHFFFAOYSA-N 1 2 345.406 3.318 20 30 EGEDLO CCc1oc2ccccc2c1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000154755013 454927186 /nfs/dbraw/zinc/92/71/86/454927186.db2.gz MFQADCFYWALKMP-UHFFFAOYSA-N 1 2 341.455 3.043 20 30 EGEDLO Cc1cccn2c(CN3CCN([C@H](C#N)c4ccccc4)CC3)c[nH+]c12 ZINC000155287225 454983610 /nfs/dbraw/zinc/98/36/10/454983610.db2.gz WSZKCQUTAYWXPY-HXUWFJFHSA-N 1 2 345.450 3.025 20 30 EGEDLO COc1cccc(/C=[NH+]/C[C@H]2CCCN2C(=O)OC(C)(C)C)c1O ZINC000170963932 455006355 /nfs/dbraw/zinc/00/63/55/455006355.db2.gz LLESXSXMBWJZRY-HIPSJFSSSA-N 1 2 334.416 3.219 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000152250013 455092177 /nfs/dbraw/zinc/09/21/77/455092177.db2.gz IBMDEZVQQUOULG-AWEZNQCLSA-N 1 2 325.391 3.072 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152250013 455092182 /nfs/dbraw/zinc/09/21/82/455092182.db2.gz IBMDEZVQQUOULG-AWEZNQCLSA-N 1 2 325.391 3.072 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152250013 455092186 /nfs/dbraw/zinc/09/21/86/455092186.db2.gz IBMDEZVQQUOULG-AWEZNQCLSA-N 1 2 325.391 3.072 20 30 EGEDLO Cc1nc(CC(N)=[NH+]OCc2ccccc2OC(F)F)cs1 ZINC000117868491 455095103 /nfs/dbraw/zinc/09/51/03/455095103.db2.gz NQOAHWNWMYJLDQ-UHFFFAOYSA-N 1 2 327.356 3.084 20 30 EGEDLO Fc1ccc(C#CC[NH+]2CCN(c3ccc(Cl)cn3)CC2)cc1 ZINC000156369974 455110598 /nfs/dbraw/zinc/11/05/98/455110598.db2.gz XCCBHMYCLWVIFU-UHFFFAOYSA-N 1 2 329.806 3.048 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)nc1 ZINC000179988797 455111980 /nfs/dbraw/zinc/11/19/80/455111980.db2.gz VJTPSAJTMBOQCM-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO Cn1cc(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)c(-c2ccc(C#N)cc2)n1 ZINC000180020409 455117408 /nfs/dbraw/zinc/11/74/08/455117408.db2.gz JEBBSBPBBDZIKR-GOSISDBHSA-N 1 2 346.438 3.409 20 30 EGEDLO Cn1cc(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)c(-c2ccc(C#N)cc2)n1 ZINC000180020409 455117411 /nfs/dbraw/zinc/11/74/11/455117411.db2.gz JEBBSBPBBDZIKR-GOSISDBHSA-N 1 2 346.438 3.409 20 30 EGEDLO COc1cc[nH+]cc1NCc1ccc(OC)c(OCCCC#N)c1 ZINC000119164021 455130337 /nfs/dbraw/zinc/13/03/37/455130337.db2.gz DMMGSTAYTDFLBL-UHFFFAOYSA-N 1 2 327.384 3.393 20 30 EGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCCCCC#N)n2)C1 ZINC000264074386 455189576 /nfs/dbraw/zinc/18/95/76/455189576.db2.gz BXXVOXCCYFWKEL-CYBMUJFWSA-N 1 2 335.477 3.190 20 30 EGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCCCC#N)n2)C1 ZINC000264074386 455189580 /nfs/dbraw/zinc/18/95/80/455189580.db2.gz BXXVOXCCYFWKEL-CYBMUJFWSA-N 1 2 335.477 3.190 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCCCCC#N)c1ccc(Cl)cc1 ZINC000264154643 455193667 /nfs/dbraw/zinc/19/36/67/455193667.db2.gz RFZWIRPHAHTEKL-OAHLLOKOSA-N 1 2 345.834 3.156 20 30 EGEDLO CCOC(=O)CC[N@H+](Cc1cccnc1)Cc1cc(C#N)ccc1F ZINC000180593798 455204246 /nfs/dbraw/zinc/20/42/46/455204246.db2.gz RTBSDKQGELDZOJ-UHFFFAOYSA-N 1 2 341.386 3.048 20 30 EGEDLO CCOC(=O)CC[N@@H+](Cc1cccnc1)Cc1cc(C#N)ccc1F ZINC000180593798 455204251 /nfs/dbraw/zinc/20/42/51/455204251.db2.gz RTBSDKQGELDZOJ-UHFFFAOYSA-N 1 2 341.386 3.048 20 30 EGEDLO CC[N@@H+](CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1)C[C@H](C)C#N ZINC000157644597 455216387 /nfs/dbraw/zinc/21/63/87/455216387.db2.gz XOMIBHNSXFUWTI-SJORKVTESA-N 1 2 327.472 3.295 20 30 EGEDLO CC[N@H+](CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1)C[C@H](C)C#N ZINC000157644597 455216392 /nfs/dbraw/zinc/21/63/92/455216392.db2.gz XOMIBHNSXFUWTI-SJORKVTESA-N 1 2 327.472 3.295 20 30 EGEDLO N#CC1CC[NH+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000181040436 455279339 /nfs/dbraw/zinc/27/93/39/455279339.db2.gz DBYMPHACMAGBIU-OAHLLOKOSA-N 1 2 338.238 3.334 20 30 EGEDLO Cc1nc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cs1 ZINC000265672629 455359665 /nfs/dbraw/zinc/35/96/65/455359665.db2.gz ZXJKTTCHHAROQO-UHFFFAOYSA-N 1 2 349.463 3.194 20 30 EGEDLO C=CCCCCC[N@H+](C)Cc1csc(N(CCOC)C(C)=O)n1 ZINC000265768744 455377302 /nfs/dbraw/zinc/37/73/02/455377302.db2.gz IGEWHDFNQZDUCZ-UHFFFAOYSA-N 1 2 339.505 3.321 20 30 EGEDLO C=CCCCCC[N@@H+](C)Cc1csc(N(CCOC)C(C)=O)n1 ZINC000265768744 455377300 /nfs/dbraw/zinc/37/73/00/455377300.db2.gz IGEWHDFNQZDUCZ-UHFFFAOYSA-N 1 2 339.505 3.321 20 30 EGEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000245933915 455402633 /nfs/dbraw/zinc/40/26/33/455402633.db2.gz YZEYMLDOJCDPCU-UONOGXRCSA-N 1 2 344.484 3.125 20 30 EGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000245933915 455402634 /nfs/dbraw/zinc/40/26/34/455402634.db2.gz YZEYMLDOJCDPCU-UONOGXRCSA-N 1 2 344.484 3.125 20 30 EGEDLO COC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(C)o1 ZINC000184718008 455436127 /nfs/dbraw/zinc/43/61/27/455436127.db2.gz VCAVAPALVXEWNP-HNNXBMFYSA-N 1 2 347.802 3.029 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)NCc1ccc(COC)cc1 ZINC000266757793 455448791 /nfs/dbraw/zinc/44/87/91/455448791.db2.gz SKSYBCUEAGOKLP-UHFFFAOYSA-N 1 2 345.487 3.101 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)NCc1ccc(COC)cc1 ZINC000266757793 455448794 /nfs/dbraw/zinc/44/87/94/455448794.db2.gz SKSYBCUEAGOKLP-UHFFFAOYSA-N 1 2 345.487 3.101 20 30 EGEDLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)o1 ZINC000184853623 455461619 /nfs/dbraw/zinc/46/16/19/455461619.db2.gz YVLPQDKYGMICDZ-CXAGYDPISA-N 1 2 341.411 3.018 20 30 EGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(CC#N)cc1 ZINC000191840888 455525342 /nfs/dbraw/zinc/52/53/42/455525342.db2.gz NTEYAIZFPHGYKG-UHFFFAOYSA-N 1 2 339.443 3.456 20 30 EGEDLO CC(C)(C)c1csc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)n1 ZINC000268015000 455579878 /nfs/dbraw/zinc/57/98/78/455579878.db2.gz IPUZOHDAXKJFGA-UHFFFAOYSA-N 1 2 341.484 3.029 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1Cl ZINC000247301203 455584771 /nfs/dbraw/zinc/58/47/71/455584771.db2.gz ZRFGGHVBYDXOFW-MSOLQXFVSA-N 1 2 337.847 3.285 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1Cl ZINC000247301203 455584775 /nfs/dbraw/zinc/58/47/75/455584775.db2.gz ZRFGGHVBYDXOFW-MSOLQXFVSA-N 1 2 337.847 3.285 20 30 EGEDLO CCCc1nc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000292294231 455621185 /nfs/dbraw/zinc/62/11/85/455621185.db2.gz UKFOONGUXQOKRY-OAHLLOKOSA-N 1 2 328.441 3.016 20 30 EGEDLO CCCc1nc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000292294231 455621190 /nfs/dbraw/zinc/62/11/90/455621190.db2.gz UKFOONGUXQOKRY-OAHLLOKOSA-N 1 2 328.441 3.016 20 30 EGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C/c1ccc(C#N)cc1 ZINC000277656314 455626071 /nfs/dbraw/zinc/62/60/71/455626071.db2.gz UYODVYOUPOFIGY-ZHACJKMWSA-N 1 2 336.439 3.269 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000292543351 455691789 /nfs/dbraw/zinc/69/17/89/455691789.db2.gz XXWRKWSGVLBOQL-GJZGRUSLSA-N 1 2 335.407 3.168 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000292543351 455691790 /nfs/dbraw/zinc/69/17/90/455691790.db2.gz XXWRKWSGVLBOQL-GJZGRUSLSA-N 1 2 335.407 3.168 20 30 EGEDLO COc1ccc(OC)c2c1C[N@@H+]([C@@H](C)c1cccc(C#N)c1)C[C@H]2O ZINC000186352644 455749912 /nfs/dbraw/zinc/74/99/12/455749912.db2.gz YKCHVYVUUQIUER-SUMWQHHRSA-N 1 2 338.407 3.186 20 30 EGEDLO COc1ccc(OC)c2c1C[N@H+]([C@@H](C)c1cccc(C#N)c1)C[C@H]2O ZINC000186352644 455749914 /nfs/dbraw/zinc/74/99/14/455749914.db2.gz YKCHVYVUUQIUER-SUMWQHHRSA-N 1 2 338.407 3.186 20 30 EGEDLO C[C@H](C#N)C[N@H+](C)C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000293003532 455770275 /nfs/dbraw/zinc/77/02/75/455770275.db2.gz GXFHLTROFKKFRQ-QMTHXVAHSA-N 1 2 345.668 3.401 20 30 EGEDLO C[C@H](C#N)C[N@@H+](C)C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000293003532 455770278 /nfs/dbraw/zinc/77/02/78/455770278.db2.gz GXFHLTROFKKFRQ-QMTHXVAHSA-N 1 2 345.668 3.401 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000249743997 455771924 /nfs/dbraw/zinc/77/19/24/455771924.db2.gz YYDLKXLQDOECAX-RHSMWYFYSA-N 1 2 329.444 3.130 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000249743997 455771926 /nfs/dbraw/zinc/77/19/26/455771926.db2.gz YYDLKXLQDOECAX-RHSMWYFYSA-N 1 2 329.444 3.130 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000294447215 455816126 /nfs/dbraw/zinc/81/61/26/455816126.db2.gz KZQJSLUDBIHLSX-FQEVSTJZSA-N 1 2 336.439 3.325 20 30 EGEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)c2noc(-c3ccccc3)n2)cs1 ZINC000278718514 455846141 /nfs/dbraw/zinc/84/61/41/455846141.db2.gz OTEKUWWKJFWQIL-JTQLQIEISA-N 1 2 343.412 3.094 20 30 EGEDLO C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000194835858 455889544 /nfs/dbraw/zinc/88/95/44/455889544.db2.gz RKJIUZNLYACODB-AWEZNQCLSA-N 1 2 339.395 3.202 20 30 EGEDLO C[C@H](NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C)c1ccc(C#N)cc1 ZINC000296366200 455919950 /nfs/dbraw/zinc/91/99/50/455919950.db2.gz OVJWULDLOXHOCI-BBRMVZONSA-N 1 2 337.427 3.145 20 30 EGEDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(C)(C#N)CC1 ZINC000272477160 455964887 /nfs/dbraw/zinc/96/48/87/455964887.db2.gz APLLTBDUAMEPQK-GFCCVEGCSA-N 1 2 341.371 3.331 20 30 EGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000272484758 455967310 /nfs/dbraw/zinc/96/73/10/455967310.db2.gz AFUUSUNPDTUHEP-UONOGXRCSA-N 1 2 339.399 3.112 20 30 EGEDLO C=C(C)COc1cc(C[NH2+][C@H](C)c2nnc(CC)[nH]2)ccc1OC ZINC000270729519 456025255 /nfs/dbraw/zinc/02/52/55/456025255.db2.gz QSUDPSWROAYYCK-CYBMUJFWSA-N 1 2 330.432 3.181 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](COC)C2)cc1Cl ZINC000188386565 456054186 /nfs/dbraw/zinc/05/41/86/456054186.db2.gz XASMLNNEQCLRCO-UKRRQHHQSA-N 1 2 325.836 3.141 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](COC)C2)cc1Cl ZINC000188386565 456054188 /nfs/dbraw/zinc/05/41/88/456054188.db2.gz XASMLNNEQCLRCO-UKRRQHHQSA-N 1 2 325.836 3.141 20 30 EGEDLO C=CCOc1ccc(C[NH2+]Cc2noc3c2CCCC3)cc1OC ZINC000288474953 456097452 /nfs/dbraw/zinc/09/74/52/456097452.db2.gz PGTMXRYHKSWVAF-UHFFFAOYSA-N 1 2 328.412 3.417 20 30 EGEDLO CC1(C#N)CC[NH+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)CC1 ZINC000272895071 456103657 /nfs/dbraw/zinc/10/36/57/456103657.db2.gz YRIICHWAFQGLOM-UHFFFAOYSA-N 1 2 333.798 3.185 20 30 EGEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCCc2occc2C1 ZINC000288956252 456109863 /nfs/dbraw/zinc/10/98/63/456109863.db2.gz XXHOQYGPSUJCQC-UHFFFAOYSA-N 1 2 341.436 3.282 20 30 EGEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCCc2occc2C1 ZINC000288956252 456109868 /nfs/dbraw/zinc/10/98/68/456109868.db2.gz XXHOQYGPSUJCQC-UHFFFAOYSA-N 1 2 341.436 3.282 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000289459267 456125258 /nfs/dbraw/zinc/12/52/58/456125258.db2.gz CHCHRXRGYGUWIN-ZDUSSCGKSA-N 1 2 341.440 3.325 20 30 EGEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000289768747 456141362 /nfs/dbraw/zinc/14/13/62/456141362.db2.gz RFJKAQBYOWJUNP-MRXNPFEDSA-N 1 2 327.449 3.287 20 30 EGEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000289768747 456141367 /nfs/dbraw/zinc/14/13/67/456141367.db2.gz RFJKAQBYOWJUNP-MRXNPFEDSA-N 1 2 327.449 3.287 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2csc(-c3ccc(F)cc3)n2)C1=O ZINC000281206570 456164689 /nfs/dbraw/zinc/16/46/89/456164689.db2.gz JJUYTXTYSBOXBB-INIZCTEOSA-N 1 2 345.443 3.168 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2csc(-c3ccc(F)cc3)n2)C1=O ZINC000281206570 456164693 /nfs/dbraw/zinc/16/46/93/456164693.db2.gz JJUYTXTYSBOXBB-INIZCTEOSA-N 1 2 345.443 3.168 20 30 EGEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000273333618 456224443 /nfs/dbraw/zinc/22/44/43/456224443.db2.gz VBIOLOQXLGIUNY-NSHDSACASA-N 1 2 347.406 3.403 20 30 EGEDLO CN(Cc1[nH+]ccn1C)c1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC000301929520 456253327 /nfs/dbraw/zinc/25/33/27/456253327.db2.gz NVKPBSQDZJABLY-UHFFFAOYSA-N 1 2 343.337 3.078 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000281678419 456290911 /nfs/dbraw/zinc/29/09/11/456290911.db2.gz ZLNGGWXLRDBNDL-BBWFWOEESA-N 1 2 346.475 3.121 20 30 EGEDLO N#CCc1ccc(C(=O)N(Cc2[nH]cc[nH+]2)c2cccc(F)c2)cc1 ZINC000340206798 456315287 /nfs/dbraw/zinc/31/52/87/456315287.db2.gz VQFCTYDMNXKNLZ-UHFFFAOYSA-N 1 2 334.354 3.462 20 30 EGEDLO COCCOc1ccc(C#N)cc1NCCCc1c[nH+]ccc1C ZINC000290413730 456321376 /nfs/dbraw/zinc/32/13/76/456321376.db2.gz QIWIEUPWPMPXGT-UHFFFAOYSA-N 1 2 325.412 3.332 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(C#N)ccc1OC ZINC000352806363 456325059 /nfs/dbraw/zinc/32/50/59/456325059.db2.gz UZEQUIWTZQSVTD-UHFFFAOYSA-N 1 2 326.396 3.230 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(C#N)ccc1OC ZINC000352806363 456325064 /nfs/dbraw/zinc/32/50/64/456325064.db2.gz UZEQUIWTZQSVTD-UHFFFAOYSA-N 1 2 326.396 3.230 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](Cc2c(F)cccc2F)C2CCCC2)C1=O ZINC000337133933 456330301 /nfs/dbraw/zinc/33/03/01/456330301.db2.gz LHGQOJZXNGHKMC-GOSISDBHSA-N 1 2 334.410 3.496 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](Cc2c(F)cccc2F)C2CCCC2)C1=O ZINC000337133933 456330308 /nfs/dbraw/zinc/33/03/08/456330308.db2.gz LHGQOJZXNGHKMC-GOSISDBHSA-N 1 2 334.410 3.496 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000352813024 456330493 /nfs/dbraw/zinc/33/04/93/456330493.db2.gz BMJXLPBLCRFXPO-FRQCXROJSA-N 1 2 348.487 3.233 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000352813024 456330494 /nfs/dbraw/zinc/33/04/94/456330494.db2.gz BMJXLPBLCRFXPO-FRQCXROJSA-N 1 2 348.487 3.233 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000352814924 456331776 /nfs/dbraw/zinc/33/17/76/456331776.db2.gz KILJFMPBOVIFBM-UHFFFAOYSA-N 1 2 346.383 3.267 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000352814924 456331782 /nfs/dbraw/zinc/33/17/82/456331782.db2.gz KILJFMPBOVIFBM-UHFFFAOYSA-N 1 2 346.383 3.267 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)Nc1ccc(C)cc1F)Cc1ccc(CO)o1 ZINC000352876200 456383088 /nfs/dbraw/zinc/38/30/88/456383088.db2.gz LWUMKQVJRUMYKK-UHFFFAOYSA-N 1 2 346.402 3.236 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccc(C)cc1F)Cc1ccc(CO)o1 ZINC000352876200 456383089 /nfs/dbraw/zinc/38/30/89/456383089.db2.gz LWUMKQVJRUMYKK-UHFFFAOYSA-N 1 2 346.402 3.236 20 30 EGEDLO C=CCCN(C)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000276085548 456386293 /nfs/dbraw/zinc/38/62/93/456386293.db2.gz LWGYKSWXLXICDU-UHFFFAOYSA-N 1 2 326.444 3.233 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCCN(C(C)C)C1=O ZINC000352904464 456403853 /nfs/dbraw/zinc/40/38/53/456403853.db2.gz USXVAAONTQQACV-GOSISDBHSA-N 1 2 332.492 3.242 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCCN(C(C)C)C1=O ZINC000352904464 456403859 /nfs/dbraw/zinc/40/38/59/456403859.db2.gz USXVAAONTQQACV-GOSISDBHSA-N 1 2 332.492 3.242 20 30 EGEDLO COc1cc(OC)c2ncc(C#N)c(NCCc3cccc(C)[nH+]3)c2c1 ZINC000343113286 456413311 /nfs/dbraw/zinc/41/33/11/456413311.db2.gz YSHNLHCXOLSNNJ-UHFFFAOYSA-N 1 2 348.406 3.482 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1cc(C)no1 ZINC000352939702 456422854 /nfs/dbraw/zinc/42/28/54/456422854.db2.gz BTFYFGDMBYNOER-OAHLLOKOSA-N 1 2 345.447 3.166 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1cc(C)no1 ZINC000352939702 456422865 /nfs/dbraw/zinc/42/28/65/456422865.db2.gz BTFYFGDMBYNOER-OAHLLOKOSA-N 1 2 345.447 3.166 20 30 EGEDLO C=CCOc1ccc(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000337634033 456442451 /nfs/dbraw/zinc/44/24/51/456442451.db2.gz OQDREAQEAJNTDU-INIZCTEOSA-N 1 2 325.412 3.064 20 30 EGEDLO COc1cc(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)ccc1C#N ZINC000282367444 456491606 /nfs/dbraw/zinc/49/16/06/456491606.db2.gz PZXFLPWZSVWDEM-LJQANCHMSA-N 1 2 326.371 3.279 20 30 EGEDLO COc1cc(C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)ccc1C#N ZINC000282367444 456491614 /nfs/dbraw/zinc/49/16/14/456491614.db2.gz PZXFLPWZSVWDEM-LJQANCHMSA-N 1 2 326.371 3.279 20 30 EGEDLO COCCN(C)c1ccc(/C=C2\Cc3c(c(F)ccc3F)C2=O)c[nH+]1 ZINC000276576743 456519214 /nfs/dbraw/zinc/51/92/14/456519214.db2.gz DNHJAECRWGCBOC-UKTHLTGXSA-N 1 2 344.361 3.265 20 30 EGEDLO CC1(C)CCC[N@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)[C@@H]1C#N ZINC000282545172 456548847 /nfs/dbraw/zinc/54/88/47/456548847.db2.gz RUTQSQBITZYODA-FUHWJXTLSA-N 1 2 325.456 3.163 20 30 EGEDLO CC1(C)CCC[N@@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)[C@@H]1C#N ZINC000282545172 456548853 /nfs/dbraw/zinc/54/88/53/456548853.db2.gz RUTQSQBITZYODA-FUHWJXTLSA-N 1 2 325.456 3.163 20 30 EGEDLO Cc1nocc1C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000353257952 456592351 /nfs/dbraw/zinc/59/23/51/456592351.db2.gz KQMRQACMXMLHSO-KRWDZBQOSA-N 1 2 330.819 3.019 20 30 EGEDLO Cc1ncc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)s1 ZINC000348320784 456620326 /nfs/dbraw/zinc/62/03/26/456620326.db2.gz CIYNNNHBYQGBPL-QGZVFWFLSA-N 1 2 346.887 3.487 20 30 EGEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000348329692 456628162 /nfs/dbraw/zinc/62/81/62/456628162.db2.gz VZTSBLSTNJTLTF-SFHVURJKSA-N 1 2 326.831 3.117 20 30 EGEDLO C=CCOCCCC(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000282975019 456678905 /nfs/dbraw/zinc/67/89/05/456678905.db2.gz SOBFETAJFDHPNG-UHFFFAOYSA-N 1 2 327.428 3.279 20 30 EGEDLO Cc1[nH+]c2cc(CNC(=O)c3ccc(C#N)cc3)ccc2n1C1CC1 ZINC000283026117 456693336 /nfs/dbraw/zinc/69/33/36/456693336.db2.gz XYJPJBKWKGMYPV-UHFFFAOYSA-N 1 2 330.391 3.481 20 30 EGEDLO CC[N@H+](Cc1ccc(Cl)cc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000343569104 456712565 /nfs/dbraw/zinc/71/25/65/456712565.db2.gz QBWKEGCCTNYJNH-KRWDZBQOSA-N 1 2 327.815 3.260 20 30 EGEDLO CC[N@@H+](Cc1ccc(Cl)cc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000343569104 456712571 /nfs/dbraw/zinc/71/25/71/456712571.db2.gz QBWKEGCCTNYJNH-KRWDZBQOSA-N 1 2 327.815 3.260 20 30 EGEDLO O=C(Nc1cccc(O)c1F)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000328587204 456714638 /nfs/dbraw/zinc/71/46/38/456714638.db2.gz HIVBJFGQGVJKTI-SFHVURJKSA-N 1 2 344.386 3.317 20 30 EGEDLO COc1ccc(C[NH+]2CCC(F)(C#N)CC2)c(Br)c1 ZINC000348713574 456826473 /nfs/dbraw/zinc/82/64/73/456826473.db2.gz WPMWCOWAVFFZIJ-UHFFFAOYSA-N 1 2 327.197 3.285 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cn(C)nc1C(C)(C)C ZINC000348654421 456802421 /nfs/dbraw/zinc/80/24/21/456802421.db2.gz XWTWICUECQGFER-UHFFFAOYSA-N 1 2 331.460 3.381 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cn(C)nc1C(C)(C)C ZINC000348654421 456802424 /nfs/dbraw/zinc/80/24/24/456802424.db2.gz XWTWICUECQGFER-UHFFFAOYSA-N 1 2 331.460 3.381 20 30 EGEDLO Cc1noc([C@H]2CC[N@H+](CC(=O)Nc3sc(C)c(C)c3C)C2)n1 ZINC000329044721 456821676 /nfs/dbraw/zinc/82/16/76/456821676.db2.gz PLSKLWLNYFWNEZ-ZDUSSCGKSA-N 1 2 334.445 3.442 20 30 EGEDLO Cc1noc([C@H]2CC[N@@H+](CC(=O)Nc3sc(C)c(C)c3C)C2)n1 ZINC000329044721 456821680 /nfs/dbraw/zinc/82/16/80/456821680.db2.gz PLSKLWLNYFWNEZ-ZDUSSCGKSA-N 1 2 334.445 3.442 20 30 EGEDLO Cc1ncoc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000329057091 456823645 /nfs/dbraw/zinc/82/36/45/456823645.db2.gz SVAZKYJATMFISH-LSDHHAIUSA-N 1 2 349.818 3.013 20 30 EGEDLO Cc1ncoc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000329057091 456823650 /nfs/dbraw/zinc/82/36/50/456823650.db2.gz SVAZKYJATMFISH-LSDHHAIUSA-N 1 2 349.818 3.013 20 30 EGEDLO C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329074235 456828324 /nfs/dbraw/zinc/82/83/24/456828324.db2.gz PDOOUVUTTOMQOG-HFTRVMKXSA-N 1 2 349.475 3.440 20 30 EGEDLO C=CC[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccccc1F ZINC000341284805 456831361 /nfs/dbraw/zinc/83/13/61/456831361.db2.gz YLIHBAGJRSFSON-UHFFFAOYSA-N 1 2 337.398 3.002 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccccc1F ZINC000341284805 456831367 /nfs/dbraw/zinc/83/13/67/456831367.db2.gz YLIHBAGJRSFSON-UHFFFAOYSA-N 1 2 337.398 3.002 20 30 EGEDLO Cc1nc2sccn2c1C[N@H+](C)Cc1cn2ccccc2c1C#N ZINC000353673347 456845961 /nfs/dbraw/zinc/84/59/61/456845961.db2.gz FPBQAJSMZGVKJG-UHFFFAOYSA-N 1 2 335.436 3.461 20 30 EGEDLO Cc1nc2sccn2c1C[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000353673347 456845962 /nfs/dbraw/zinc/84/59/62/456845962.db2.gz FPBQAJSMZGVKJG-UHFFFAOYSA-N 1 2 335.436 3.461 20 30 EGEDLO C=CCOCC[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000338886084 456866223 /nfs/dbraw/zinc/86/62/23/456866223.db2.gz DTXYGIJOZMZZNS-UHFFFAOYSA-N 1 2 349.784 3.078 20 30 EGEDLO CC[C@@H]1CC[C@H](C)N1C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329360411 456878188 /nfs/dbraw/zinc/87/81/88/456878188.db2.gz XWZUYRBBTOWHQD-IMJJTQAJSA-N 1 2 334.464 3.065 20 30 EGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Nc1scnc1C1CC1)C2 ZINC000329465131 456894925 /nfs/dbraw/zinc/89/49/25/456894925.db2.gz UYYIHDPEWZHNMO-UHFFFAOYSA-N 1 2 345.472 3.481 20 30 EGEDLO C[C@H](NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1nc[nH]n1 ZINC000329475340 456896942 /nfs/dbraw/zinc/89/69/42/456896942.db2.gz PBNHVLWHAVAJES-JSGCOSHPSA-N 1 2 342.447 3.329 20 30 EGEDLO C[C@H](NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1nnc[nH]1 ZINC000329475340 456896944 /nfs/dbraw/zinc/89/69/44/456896944.db2.gz PBNHVLWHAVAJES-JSGCOSHPSA-N 1 2 342.447 3.329 20 30 EGEDLO O=C(N[C@H]1CSc2ccccc21)N1CCC(n2cc[nH+]c2)CC1 ZINC000329496294 456900397 /nfs/dbraw/zinc/90/03/97/456900397.db2.gz DTXSCFVCHCQYRY-HNNXBMFYSA-N 1 2 328.441 3.281 20 30 EGEDLO CC(C)(C)[C@@H]1C[C@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CCO1 ZINC000329591021 456913489 /nfs/dbraw/zinc/91/34/89/456913489.db2.gz ZTLOPQUXFYIDJE-PVAVHDDUSA-N 1 2 338.492 3.180 20 30 EGEDLO CC(C)(C)[C@@H]1C[C@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CCO1 ZINC000329591021 456913492 /nfs/dbraw/zinc/91/34/92/456913492.db2.gz ZTLOPQUXFYIDJE-PVAVHDDUSA-N 1 2 338.492 3.180 20 30 EGEDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000329615564 456916948 /nfs/dbraw/zinc/91/69/48/456916948.db2.gz PPBCZQYBMFYUGG-CMPLNLGQSA-N 1 2 328.347 3.138 20 30 EGEDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000329615564 456916950 /nfs/dbraw/zinc/91/69/50/456916950.db2.gz PPBCZQYBMFYUGG-CMPLNLGQSA-N 1 2 328.347 3.138 20 30 EGEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000329638730 456919283 /nfs/dbraw/zinc/91/92/83/456919283.db2.gz AUPMBKNNRTWRQQ-ARFHVFGLSA-N 1 2 330.476 3.234 20 30 EGEDLO C[C@@H]1C[C@H](C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC(=O)N1 ZINC000329695700 456929172 /nfs/dbraw/zinc/92/91/72/456929172.db2.gz XOVNZVUODOPOAY-FRRDWIJNSA-N 1 2 332.448 3.207 20 30 EGEDLO C[C@@H]1CCN(C([O-])=[NH+]C2CC(C(F)(F)F)C2)C[C@@H]1n1cc[nH+]c1 ZINC000329712913 456930991 /nfs/dbraw/zinc/93/09/91/456930991.db2.gz QSQZFGIAHOSSTD-XVSSEFHLSA-N 1 2 330.354 3.021 20 30 EGEDLO CN(C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000329757453 456936711 /nfs/dbraw/zinc/93/67/11/456936711.db2.gz ZIVUAXDCEWVLGV-SDDRHHMPSA-N 1 2 344.381 3.234 20 30 EGEDLO CN(C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000329757453 456936715 /nfs/dbraw/zinc/93/67/15/456936715.db2.gz ZIVUAXDCEWVLGV-SDDRHHMPSA-N 1 2 344.381 3.234 20 30 EGEDLO CC1(C)C[N@H+](CC(=O)Nc2nc3c(s2)CCCC3)[C@H]1[C@H]1CCCO1 ZINC000329803396 456943437 /nfs/dbraw/zinc/94/34/37/456943437.db2.gz ZQJWSSKHXBPYDR-CJNGLKHVSA-N 1 2 349.500 3.499 20 30 EGEDLO CC1(C)C[N@@H+](CC(=O)Nc2nc3c(s2)CCCC3)[C@H]1[C@H]1CCCO1 ZINC000329803396 456943439 /nfs/dbraw/zinc/94/34/39/456943439.db2.gz ZQJWSSKHXBPYDR-CJNGLKHVSA-N 1 2 349.500 3.499 20 30 EGEDLO C=CCOCC[N@@H+](CCOC)Cc1sccc1Br ZINC000339135816 456958093 /nfs/dbraw/zinc/95/80/93/456958093.db2.gz VJAIPLZDKMNKCM-UHFFFAOYSA-N 1 2 334.279 3.162 20 30 EGEDLO C=CCOCC[N@H+](CCOC)Cc1sccc1Br ZINC000339135816 456958094 /nfs/dbraw/zinc/95/80/94/456958094.db2.gz VJAIPLZDKMNKCM-UHFFFAOYSA-N 1 2 334.279 3.162 20 30 EGEDLO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000329915300 456960547 /nfs/dbraw/zinc/96/05/47/456960547.db2.gz PORYBCPIAKTITD-JTDSTZFVSA-N 1 2 336.476 3.102 20 30 EGEDLO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000329915300 456960550 /nfs/dbraw/zinc/96/05/50/456960550.db2.gz PORYBCPIAKTITD-JTDSTZFVSA-N 1 2 336.476 3.102 20 30 EGEDLO [O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@]2(CC=CCC2)C1 ZINC000329965597 456968526 /nfs/dbraw/zinc/96/85/26/456968526.db2.gz UKFLXBLRVGOPHN-QFBILLFUSA-N 1 2 328.460 3.182 20 30 EGEDLO CCN1CCN(C(=O)Nc2ccccc2C(C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330041238 456977884 /nfs/dbraw/zinc/97/78/84/456977884.db2.gz CVQMEJPOUGBYDS-QGZVFWFLSA-N 1 2 341.459 3.457 20 30 EGEDLO C=CC[N@@H+](Cc1cnn(CCOC)c1)Cc1ccc(Cl)s1 ZINC000349613970 456996350 /nfs/dbraw/zinc/99/63/50/456996350.db2.gz PIQOOAXDJCTDMJ-UHFFFAOYSA-N 1 2 325.865 3.433 20 30 EGEDLO C=CC[N@H+](Cc1cnn(CCOC)c1)Cc1ccc(Cl)s1 ZINC000349613970 456996354 /nfs/dbraw/zinc/99/63/54/456996354.db2.gz PIQOOAXDJCTDMJ-UHFFFAOYSA-N 1 2 325.865 3.433 20 30 EGEDLO CC1(C)C[C@H]([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)c2ccccc2O1 ZINC000330188557 456998131 /nfs/dbraw/zinc/99/81/31/456998131.db2.gz LFMUMUMAUUYCAN-ZFWWWQNUSA-N 1 2 340.427 3.004 20 30 EGEDLO CC1(C)C[C@H](NC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)c2ccccc2O1 ZINC000330188557 456998135 /nfs/dbraw/zinc/99/81/35/456998135.db2.gz LFMUMUMAUUYCAN-ZFWWWQNUSA-N 1 2 340.427 3.004 20 30 EGEDLO Cc1cscc1CNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000330218235 457005303 /nfs/dbraw/zinc/00/53/03/457005303.db2.gz JDTXHRPVLKKFFD-UHFFFAOYSA-N 1 2 332.473 3.386 20 30 EGEDLO C[C@H]([C@H](C)NC(=O)Nc1ccc(C2CCC2)cc1)[NH+]1CCOCC1 ZINC000330226245 457007686 /nfs/dbraw/zinc/00/76/86/457007686.db2.gz UIPFYVDSEKPTSI-LSDHHAIUSA-N 1 2 331.460 3.389 20 30 EGEDLO C=C(CNC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccccc1 ZINC000356483315 457014341 /nfs/dbraw/zinc/01/43/41/457014341.db2.gz QPPACQXSSMOGBX-UHFFFAOYSA-N 1 2 331.419 3.304 20 30 EGEDLO Cc1cc(C)n([C@H](C)CC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)n1 ZINC000330319815 457027257 /nfs/dbraw/zinc/02/72/57/457027257.db2.gz DOSPXGNMRMPMOA-INMHGKMJSA-N 1 2 345.447 3.061 20 30 EGEDLO C#CCN(Cc1c[nH+]c[nH]1)[C@H]1CCOc2ccc(Br)cc21 ZINC000362654668 457027968 /nfs/dbraw/zinc/02/79/68/457027968.db2.gz MHGFPSINVONHGQ-HNNXBMFYSA-N 1 2 346.228 3.131 20 30 EGEDLO C#CCN(Cc1c[nH]c[nH+]1)[C@H]1CCOc2ccc(Br)cc21 ZINC000362654668 457027974 /nfs/dbraw/zinc/02/79/74/457027974.db2.gz MHGFPSINVONHGQ-HNNXBMFYSA-N 1 2 346.228 3.131 20 30 EGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)CNC(=O)CC2CCCC2)CCO1 ZINC000330340217 457031549 /nfs/dbraw/zinc/03/15/49/457031549.db2.gz XPVQJYTYHBJCGT-ZBFHGGJFSA-N 1 2 348.447 3.134 20 30 EGEDLO COCC1(C#N)CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2C)CC1 ZINC000341981020 457039743 /nfs/dbraw/zinc/03/97/43/457039743.db2.gz QKVMMLLRIGRXAS-CQSZACIVSA-N 1 2 349.862 3.228 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2nc(-c3ccsc3)oc2C)CC1 ZINC000341983181 457041154 /nfs/dbraw/zinc/04/11/54/457041154.db2.gz UEGLHDMINGLHSN-UHFFFAOYSA-N 1 2 331.441 3.464 20 30 EGEDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1C(F)(F)F ZINC000341990466 457045952 /nfs/dbraw/zinc/04/59/52/457045952.db2.gz CMMXNLPPVKVMBN-ZBEGNZNMSA-N 1 2 347.340 3.454 20 30 EGEDLO C=C1CC[NH+]([C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)CC1 ZINC000342019577 457062628 /nfs/dbraw/zinc/06/26/28/457062628.db2.gz YXJLYNQHNFTOMO-AWEZNQCLSA-N 1 2 329.469 3.295 20 30 EGEDLO C=C(CNC(=O)NCCn1c(C)[nH+]c2ccccc21)c1ccccc1 ZINC000349866095 457085371 /nfs/dbraw/zinc/08/53/71/457085371.db2.gz CVHZYLFGXAKXHZ-UHFFFAOYSA-N 1 2 334.423 3.357 20 30 EGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCOC(C)(C)[C@@H]2C)c1C ZINC000331055085 457126119 /nfs/dbraw/zinc/12/61/19/457126119.db2.gz KGYLFJXHUMIFFC-KRWDZBQOSA-N 1 2 343.471 3.049 20 30 EGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCOC(C)(C)[C@@H]2C)c1C ZINC000331055085 457126123 /nfs/dbraw/zinc/12/61/23/457126123.db2.gz KGYLFJXHUMIFFC-KRWDZBQOSA-N 1 2 343.471 3.049 20 30 EGEDLO Cc1ccc(NC(=O)NCC[N@@H+]2CCOCC2(C)C)cc1OC(C)C ZINC000331177709 457142335 /nfs/dbraw/zinc/14/23/35/457142335.db2.gz WBAJDBRCPYRQMF-UHFFFAOYSA-N 1 2 349.475 3.219 20 30 EGEDLO Cc1ccc(NC(=O)NCC[N@H+]2CCOCC2(C)C)cc1OC(C)C ZINC000331177709 457142341 /nfs/dbraw/zinc/14/23/41/457142341.db2.gz WBAJDBRCPYRQMF-UHFFFAOYSA-N 1 2 349.475 3.219 20 30 EGEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(C[C@@H](CC#N)c3ccccc3)n2)C1 ZINC000346802344 457177062 /nfs/dbraw/zinc/17/70/62/457177062.db2.gz ZIEUAOXQWAQBFZ-IAGOWNOFSA-N 1 2 340.427 3.091 20 30 EGEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(C[C@@H](CC#N)c3ccccc3)n2)C1 ZINC000346802344 457177067 /nfs/dbraw/zinc/17/70/67/457177067.db2.gz ZIEUAOXQWAQBFZ-IAGOWNOFSA-N 1 2 340.427 3.091 20 30 EGEDLO N#Cc1ccc2c(c1)N(C(=O)c1ccc(Cn3cc[nH+]c3)cc1)CC2 ZINC000339820795 457291695 /nfs/dbraw/zinc/29/16/95/457291695.db2.gz LRXIZLNSOVQMLZ-UHFFFAOYSA-N 1 2 328.375 3.006 20 30 EGEDLO COc1cc(C[NH2+][C@H](C)c2nc(Cc3ccccc3)no2)ccc1C#N ZINC000357301124 457430144 /nfs/dbraw/zinc/43/01/44/457430144.db2.gz PVMFDGDIFLWAEK-CQSZACIVSA-N 1 2 348.406 3.391 20 30 EGEDLO COCCCOc1cc(C)ccc1CNc1cc(C)[nH+]cc1C#N ZINC000425246252 457471623 /nfs/dbraw/zinc/47/16/23/457471623.db2.gz YAXMHCWHMWEVHY-UHFFFAOYSA-N 1 2 325.412 3.019 20 30 EGEDLO Cc1cc(N2CCN(c3ccc(C#N)cc3Cl)CC2)c(C#N)c[nH+]1 ZINC000425255688 457472264 /nfs/dbraw/zinc/47/22/64/457472264.db2.gz GMYZSAIFTAGOJZ-UHFFFAOYSA-N 1 2 337.814 3.113 20 30 EGEDLO Cc1cc(NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c(C#N)c[nH+]1 ZINC000425252249 457473141 /nfs/dbraw/zinc/47/31/41/457473141.db2.gz AMTKMQMMRWVNBA-WOJBJXKFSA-N 1 2 339.414 3.009 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000347515535 457479200 /nfs/dbraw/zinc/47/92/00/457479200.db2.gz JUOTYQCSGKSSTL-QGZVFWFLSA-N 1 2 337.467 3.436 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000347515535 457479206 /nfs/dbraw/zinc/47/92/06/457479206.db2.gz JUOTYQCSGKSSTL-QGZVFWFLSA-N 1 2 337.467 3.436 20 30 EGEDLO CC[NH+](CC)Cc1ccc(C(O)=C(C#N)c2cc(C)nc(C)n2)cc1 ZINC000347578565 457522703 /nfs/dbraw/zinc/52/27/03/457522703.db2.gz OFFGOQMOWBNDTN-SFHVURJKSA-N 1 2 336.439 3.425 20 30 EGEDLO N#CC[C@@H](CC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000356410320 457613086 /nfs/dbraw/zinc/61/30/86/457613086.db2.gz PTYUPOKBKRPHDN-PKOBYXMFSA-N 1 2 335.407 3.149 20 30 EGEDLO C=CCn1c(SCc2cc[nH+]c(N)c2)nnc1-c1ccc(F)cc1 ZINC000443491299 457770364 /nfs/dbraw/zinc/77/03/64/457770364.db2.gz ZWNXYAMYOLKLAW-UHFFFAOYSA-N 1 2 341.415 3.370 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](CO)c1c(Cl)cccc1Cl ZINC000361541598 457782143 /nfs/dbraw/zinc/78/21/43/457782143.db2.gz QXGWNBJZLKSSAG-AWEZNQCLSA-N 1 2 345.270 3.041 20 30 EGEDLO N#CCc1ccc(Oc2ccc(C(=O)NCc3[nH]cc[nH+]3)cc2)cc1 ZINC000358120408 457798040 /nfs/dbraw/zinc/79/80/40/457798040.db2.gz BLHKOUCDWJBXGH-UHFFFAOYSA-N 1 2 332.363 3.198 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(CC#N)c1ccccc1 ZINC000361646971 457813220 /nfs/dbraw/zinc/81/32/20/457813220.db2.gz JJPMSKSFGXNMPX-UHFFFAOYSA-N 1 2 340.333 3.180 20 30 EGEDLO CCCNC(=O)C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCC ZINC000426382638 457817984 /nfs/dbraw/zinc/81/79/84/457817984.db2.gz SOWUSFDRPGHMGP-UHFFFAOYSA-N 1 2 340.389 3.295 20 30 EGEDLO CCCNC(=O)C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCC ZINC000426382638 457817987 /nfs/dbraw/zinc/81/79/87/457817987.db2.gz SOWUSFDRPGHMGP-UHFFFAOYSA-N 1 2 340.389 3.295 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)Nc1cc(C)no1 ZINC000411175477 457819815 /nfs/dbraw/zinc/81/98/15/457819815.db2.gz DLNUMBUAWUNRKC-CQSZACIVSA-N 1 2 329.400 3.007 20 30 EGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)Nc1cc(C)no1 ZINC000411175477 457819822 /nfs/dbraw/zinc/81/98/22/457819822.db2.gz DLNUMBUAWUNRKC-CQSZACIVSA-N 1 2 329.400 3.007 20 30 EGEDLO Cc1c[nH]c(-c2ccccc2NC(=O)COc2ccccc2C#N)[nH+]1 ZINC000371248252 457839256 /nfs/dbraw/zinc/83/92/56/457839256.db2.gz VCKYJJSIUDGGOA-UHFFFAOYSA-N 1 2 332.363 3.274 20 30 EGEDLO N#Cc1ccc(N2CCC[C@@H](Nc3cc[nH+]c4ccncc34)C2)c(F)c1 ZINC000444076170 457848872 /nfs/dbraw/zinc/84/88/72/457848872.db2.gz KXMXADJKTULBCO-OAHLLOKOSA-N 1 2 347.397 3.143 20 30 EGEDLO N#Cc1ccc(OCCC[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000371293386 457851523 /nfs/dbraw/zinc/85/15/23/457851523.db2.gz VXTFYZITPYGPIR-NRFANRHFSA-N 1 2 347.418 3.272 20 30 EGEDLO N#Cc1ccc(OCCC[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000371293386 457851528 /nfs/dbraw/zinc/85/15/28/457851528.db2.gz VXTFYZITPYGPIR-NRFANRHFSA-N 1 2 347.418 3.272 20 30 EGEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000366608667 457868431 /nfs/dbraw/zinc/86/84/31/457868431.db2.gz FIXKCLZOIMRWQU-OAHLLOKOSA-N 1 2 329.407 3.258 20 30 EGEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000366608667 457868433 /nfs/dbraw/zinc/86/84/33/457868433.db2.gz FIXKCLZOIMRWQU-OAHLLOKOSA-N 1 2 329.407 3.258 20 30 EGEDLO N#CCCCn1cc(C(=O)NCCNc2cccc[nH+]2)c2ccccc21 ZINC000444723903 457955840 /nfs/dbraw/zinc/95/58/40/457955840.db2.gz BGVGIOVPAQLLBL-UHFFFAOYSA-N 1 2 347.422 3.182 20 30 EGEDLO C=C(C)[C@@H](NC(=O)N1CCn2c[nH+]cc2C1)c1ccc(F)c(F)c1 ZINC000368253429 458021662 /nfs/dbraw/zinc/02/16/62/458021662.db2.gz QMIZBHWKVDXPNF-MRXNPFEDSA-N 1 2 332.354 3.004 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)NCc1ccc(C)c(F)c1 ZINC000362173867 458038474 /nfs/dbraw/zinc/03/84/74/458038474.db2.gz QNGMBDPMYJASRH-UHFFFAOYSA-N 1 2 333.451 3.402 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)NCc1ccc(C)c(F)c1 ZINC000362173867 458038478 /nfs/dbraw/zinc/03/84/78/458038478.db2.gz QNGMBDPMYJASRH-UHFFFAOYSA-N 1 2 333.451 3.402 20 30 EGEDLO C#CC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1 ZINC000375783725 458063541 /nfs/dbraw/zinc/06/35/41/458063541.db2.gz FPJLPRRXOJDFOT-UHFFFAOYSA-N 1 2 328.375 3.244 20 30 EGEDLO C#CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1 ZINC000375783725 458063549 /nfs/dbraw/zinc/06/35/49/458063549.db2.gz FPJLPRRXOJDFOT-UHFFFAOYSA-N 1 2 328.375 3.244 20 30 EGEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2ccc(C#N)o2)CC1 ZINC000428102015 458080508 /nfs/dbraw/zinc/08/05/08/458080508.db2.gz KFRXLVHWJQSKPR-ZDUSSCGKSA-N 1 2 343.814 3.324 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCc2ncsc2C1 ZINC000445862089 458104216 /nfs/dbraw/zinc/10/42/16/458104216.db2.gz FPRAKNKHJSGPSX-CYBMUJFWSA-N 1 2 347.509 3.166 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCc2ncsc2C1 ZINC000445862089 458104221 /nfs/dbraw/zinc/10/42/21/458104221.db2.gz FPRAKNKHJSGPSX-CYBMUJFWSA-N 1 2 347.509 3.166 20 30 EGEDLO CCC[C@]1(C)C(=O)NCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000445898315 458114290 /nfs/dbraw/zinc/11/42/90/458114290.db2.gz QQPNQZGWZNIADX-QGZVFWFLSA-N 1 2 338.373 3.048 20 30 EGEDLO CCC[C@]1(C)C(=O)NCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000445898315 458114294 /nfs/dbraw/zinc/11/42/94/458114294.db2.gz QQPNQZGWZNIADX-QGZVFWFLSA-N 1 2 338.373 3.048 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000369229013 458133906 /nfs/dbraw/zinc/13/39/06/458133906.db2.gz HTZNMIQRJSASNY-CXAGYDPISA-N 1 2 335.398 3.110 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000369229013 458133907 /nfs/dbraw/zinc/13/39/07/458133907.db2.gz HTZNMIQRJSASNY-CXAGYDPISA-N 1 2 335.398 3.110 20 30 EGEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000428872624 458227094 /nfs/dbraw/zinc/22/70/94/458227094.db2.gz ONNLTXLTQKDQHH-GOSISDBHSA-N 1 2 330.472 3.434 20 30 EGEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000428872624 458227099 /nfs/dbraw/zinc/22/70/99/458227099.db2.gz ONNLTXLTQKDQHH-GOSISDBHSA-N 1 2 330.472 3.434 20 30 EGEDLO C=CCCCCCN(C)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000369603288 458286212 /nfs/dbraw/zinc/28/62/12/458286212.db2.gz WQUVWZCUCDBING-UHFFFAOYSA-N 1 2 327.432 3.155 20 30 EGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000413109702 458292741 /nfs/dbraw/zinc/29/27/41/458292741.db2.gz QZNMAXZABGFNBP-GOSISDBHSA-N 1 2 338.455 3.134 20 30 EGEDLO N#Cc1cnc(NCc2cc[nH+]c(N3CCCCCC3)c2)c(F)c1 ZINC000413138985 458293605 /nfs/dbraw/zinc/29/36/05/458293605.db2.gz QDLFTOHBSHGSBB-UHFFFAOYSA-N 1 2 325.391 3.480 20 30 EGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1c[nH+]ccc1OC ZINC000413586655 458304630 /nfs/dbraw/zinc/30/46/30/458304630.db2.gz WIZRVZPGKYOHEQ-KRWDZBQOSA-N 1 2 325.412 3.077 20 30 EGEDLO C=CCOc1ccc(C[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)cc1 ZINC000414123316 458315407 /nfs/dbraw/zinc/31/54/07/458315407.db2.gz BWRYBFSWRAUQHC-LBPRGKRZSA-N 1 2 332.425 3.345 20 30 EGEDLO C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[NH+]1CC#Cc1ccc(F)cc1 ZINC000429354504 458320839 /nfs/dbraw/zinc/32/08/39/458320839.db2.gz OBMSGIMXBWALQQ-HOTGVXAUSA-N 1 2 330.447 3.145 20 30 EGEDLO COc1ccc(C[N@H+](C)C[C@H](C)C#N)c(OCc2cccnc2)c1 ZINC000447743683 458337310 /nfs/dbraw/zinc/33/73/10/458337310.db2.gz HPTOQDAZLLITDP-OAHLLOKOSA-N 1 2 325.412 3.261 20 30 EGEDLO COc1ccc(C[N@@H+](C)C[C@H](C)C#N)c(OCc2cccnc2)c1 ZINC000447743683 458337315 /nfs/dbraw/zinc/33/73/15/458337315.db2.gz HPTOQDAZLLITDP-OAHLLOKOSA-N 1 2 325.412 3.261 20 30 EGEDLO C=CCN(C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000429961172 458385329 /nfs/dbraw/zinc/38/53/29/458385329.db2.gz JYKNEZOVDWUGFM-OAHLLOKOSA-N 1 2 339.842 3.443 20 30 EGEDLO Cc1cccc(C[NH+]2CCN(C(=O)[C@@]3(C#N)CC34CCCC4)CC2)c1 ZINC000448580075 458402185 /nfs/dbraw/zinc/40/21/85/458402185.db2.gz WRSDWLSLSCGWLB-NRFANRHFSA-N 1 2 337.467 3.113 20 30 EGEDLO C=CCC1(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CCCCC1 ZINC000448622853 458403317 /nfs/dbraw/zinc/40/33/17/458403317.db2.gz RHWGAQWHPLSQES-UHFFFAOYSA-N 1 2 343.471 3.061 20 30 EGEDLO COCC[N@H+](CC#Cc1cccc(Cl)c1)Cc1c(C)nn(C)c1C ZINC000459577984 458416685 /nfs/dbraw/zinc/41/66/85/458416685.db2.gz MUAVDPVQMZJFSD-UHFFFAOYSA-N 1 2 345.874 3.190 20 30 EGEDLO COCC[N@@H+](CC#Cc1cccc(Cl)c1)Cc1c(C)nn(C)c1C ZINC000459577984 458416691 /nfs/dbraw/zinc/41/66/91/458416691.db2.gz MUAVDPVQMZJFSD-UHFFFAOYSA-N 1 2 345.874 3.190 20 30 EGEDLO CC1(C)C[N@H+](CC(=O)NCc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000376899861 458417462 /nfs/dbraw/zinc/41/74/62/458417462.db2.gz YPQUGHQPGVGPNR-SFHVURJKSA-N 1 2 339.464 3.319 20 30 EGEDLO CC1(C)C[N@@H+](CC(=O)NCc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000376899861 458417465 /nfs/dbraw/zinc/41/74/65/458417465.db2.gz YPQUGHQPGVGPNR-SFHVURJKSA-N 1 2 339.464 3.319 20 30 EGEDLO C=CCC[C@@H]([NH2+]Cc1cn(C)nc1-c1cccs1)C(=O)OCC ZINC000449653332 458427693 /nfs/dbraw/zinc/42/76/93/458427693.db2.gz BZKZUTUXKBHRJX-CQSZACIVSA-N 1 2 333.457 3.136 20 30 EGEDLO CC#CCCNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430906868 458502775 /nfs/dbraw/zinc/50/27/75/458502775.db2.gz OQNGAYUSALEJRM-UHFFFAOYSA-N 1 2 344.846 3.162 20 30 EGEDLO Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)n1 ZINC000437899507 458509748 /nfs/dbraw/zinc/50/97/48/458509748.db2.gz VGHFMFLHTHIFFO-RYZJOYRSSA-N 1 2 342.487 3.141 20 30 EGEDLO Cc1cccc(C[N@H+](C)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)n1 ZINC000437899507 458509752 /nfs/dbraw/zinc/50/97/52/458509752.db2.gz VGHFMFLHTHIFFO-RYZJOYRSSA-N 1 2 342.487 3.141 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373568438 458536201 /nfs/dbraw/zinc/53/62/01/458536201.db2.gz MYHOXLWGCMZUEE-ZIAGYGMSSA-N 1 2 340.452 3.336 20 30 EGEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000454730852 458573033 /nfs/dbraw/zinc/57/30/33/458573033.db2.gz YTFPZMCUNOPYKL-ZBFHGGJFSA-N 1 2 325.416 3.308 20 30 EGEDLO COc1cc[nH+]c(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1OC ZINC000373710170 458580199 /nfs/dbraw/zinc/58/01/99/458580199.db2.gz CZMZVUYSMIATIJ-WMZOPIPTSA-N 1 2 337.423 3.371 20 30 EGEDLO COc1ccnc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1OC ZINC000373710170 458580206 /nfs/dbraw/zinc/58/02/06/458580206.db2.gz CZMZVUYSMIATIJ-WMZOPIPTSA-N 1 2 337.423 3.371 20 30 EGEDLO COc1ccnc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1OC ZINC000373710170 458580210 /nfs/dbraw/zinc/58/02/10/458580210.db2.gz CZMZVUYSMIATIJ-WMZOPIPTSA-N 1 2 337.423 3.371 20 30 EGEDLO C=CCC1(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCC1 ZINC000455480284 458601477 /nfs/dbraw/zinc/60/14/77/458601477.db2.gz PZMTZUCFXYHLEP-UHFFFAOYSA-N 1 2 328.460 3.050 20 30 EGEDLO C=CCCCN(C)C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000455874692 458617869 /nfs/dbraw/zinc/61/78/69/458617869.db2.gz ZUULHHQAUWXRAB-UHFFFAOYSA-N 1 2 341.253 3.340 20 30 EGEDLO C=C[C@H]1CCCCN1C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000494174717 458636048 /nfs/dbraw/zinc/63/60/48/458636048.db2.gz BOMGYHFSXNQYGV-IRXDYDNUSA-N 1 2 342.418 3.399 20 30 EGEDLO Cc1cccn2cc(Cc3noc(Cc4ccc(C#N)cc4)n3)[nH+]c12 ZINC000547091828 458698073 /nfs/dbraw/zinc/69/80/73/458698073.db2.gz PICRRZDLRBMYJE-UHFFFAOYSA-N 1 2 329.363 3.079 20 30 EGEDLO C=CCn1cccc1C(=O)Nc1ccc2c(c1)[nH+]c(C)n2[C@H](C)CO ZINC000456694868 458754053 /nfs/dbraw/zinc/75/40/53/458754053.db2.gz BXVNRBIJAWPOFR-CYBMUJFWSA-N 1 2 338.411 3.138 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)NCC(C)(C)C#N)CC1 ZINC000512918809 458790465 /nfs/dbraw/zinc/79/04/65/458790465.db2.gz UDBOYQPDHRRZGL-AWEZNQCLSA-N 1 2 348.878 3.278 20 30 EGEDLO C=C[C@H](CC(=O)NCC1CC[NH+](CC(F)F)CC1)c1ccccc1 ZINC000514693208 458800181 /nfs/dbraw/zinc/80/01/81/458800181.db2.gz KKEPSFPFBADRTH-MRXNPFEDSA-N 1 2 336.426 3.440 20 30 EGEDLO C=CCCCCNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000472855259 458810803 /nfs/dbraw/zinc/81/08/03/458810803.db2.gz VYZSQWRKMILQOE-XFXZXTDPSA-N 1 2 327.472 3.383 20 30 EGEDLO C[C@H]1CCC[C@](C#N)(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000516947923 458823739 /nfs/dbraw/zinc/82/37/39/458823739.db2.gz SNVYTXAIGNCBME-JXFKEZNVSA-N 1 2 336.439 3.063 20 30 EGEDLO C=C[C@](C)(CCOC)c1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000566527972 458954332 /nfs/dbraw/zinc/95/43/32/458954332.db2.gz IBECZVJRXOAMQK-GOSISDBHSA-N 1 2 326.400 3.097 20 30 EGEDLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1cn2ccccc2c1C#N ZINC000557393619 459067968 /nfs/dbraw/zinc/06/79/68/459067968.db2.gz VSCXKGUOFKCELR-UHFFFAOYSA-N 1 2 338.455 3.035 20 30 EGEDLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1cn2ccccc2c1C#N ZINC000557393619 459067973 /nfs/dbraw/zinc/06/79/73/459067973.db2.gz VSCXKGUOFKCELR-UHFFFAOYSA-N 1 2 338.455 3.035 20 30 EGEDLO N#Cc1cc(F)c(N2CCC[C@H](n3cc[nH+]c3)C2)cc1Br ZINC000594548920 459087225 /nfs/dbraw/zinc/08/72/25/459087225.db2.gz ZCLNPUXOKCYZFU-LBPRGKRZSA-N 1 2 349.207 3.498 20 30 EGEDLO CC(C)OC1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000532632993 459121803 /nfs/dbraw/zinc/12/18/03/459121803.db2.gz GSPSOHBUILEOHD-UHFFFAOYSA-N 1 2 347.484 3.130 20 30 EGEDLO C=CCCCC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000479532704 459146792 /nfs/dbraw/zinc/14/67/92/459146792.db2.gz QJWZGKLMCGHJKD-UHFFFAOYSA-N 1 2 336.863 3.219 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000567995217 459205727 /nfs/dbraw/zinc/20/57/27/459205727.db2.gz DZNSYELQWLFEHC-IRLDBZIGSA-N 1 2 349.478 3.363 20 30 EGEDLO N#CC1(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000522057156 459208322 /nfs/dbraw/zinc/20/83/22/459208322.db2.gz BQEYQYGLDPSLRP-UHFFFAOYSA-N 1 2 331.217 3.028 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCc1cc(Cl)sc1Cl ZINC000579964813 459254676 /nfs/dbraw/zinc/25/46/76/459254676.db2.gz VECJILZHYDSECP-CQSZACIVSA-N 1 2 348.299 3.338 20 30 EGEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000590946359 459279171 /nfs/dbraw/zinc/27/91/71/459279171.db2.gz IFLCGVYQMLXDLI-YOEHRIQHSA-N 1 2 337.427 3.381 20 30 EGEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595614489 459368839 /nfs/dbraw/zinc/36/88/39/459368839.db2.gz IJGPBAMJHVULRA-STQMWFEESA-N 1 2 335.835 3.301 20 30 EGEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595614489 459368845 /nfs/dbraw/zinc/36/88/45/459368845.db2.gz IJGPBAMJHVULRA-STQMWFEESA-N 1 2 335.835 3.301 20 30 EGEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000525329161 459448053 /nfs/dbraw/zinc/44/80/53/459448053.db2.gz GSKVYJGVKNSURJ-UHFFFAOYSA-N 1 2 331.504 3.189 20 30 EGEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000525329161 459448054 /nfs/dbraw/zinc/44/80/54/459448054.db2.gz GSKVYJGVKNSURJ-UHFFFAOYSA-N 1 2 331.504 3.189 20 30 EGEDLO C[C@@H](CC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)n1cc[nH+]c1 ZINC000583087083 459481094 /nfs/dbraw/zinc/48/10/94/459481094.db2.gz HHMIVIPDBAVMOU-ZDUSSCGKSA-N 1 2 335.329 3.021 20 30 EGEDLO Cc1cccc2[nH+]c(CCNC(=O)N[C@H](C)c3cccc(C#N)c3)cn21 ZINC000591946248 459494124 /nfs/dbraw/zinc/49/41/24/459494124.db2.gz IXWMILNKIPEJHW-OAHLLOKOSA-N 1 2 347.422 3.117 20 30 EGEDLO Cc1nsc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c1C#N ZINC000583343407 459524670 /nfs/dbraw/zinc/52/46/70/459524670.db2.gz VZEOMMLCLRDPNH-PHIMTYICSA-N 1 2 329.429 3.075 20 30 EGEDLO COC(=O)[C@H]([NH2+]CCC1(C#N)CCCCC1)[C@H]1CCC[C@@H](OC)C1 ZINC000570165993 459553432 /nfs/dbraw/zinc/55/34/32/459553432.db2.gz HNEXORZRPDZNQT-GVDBMIGSSA-N 1 2 336.476 3.187 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000571342089 459567777 /nfs/dbraw/zinc/56/77/77/459567777.db2.gz VTHMJBDRCNYDRM-LLVKDONJSA-N 1 2 335.256 3.049 20 30 EGEDLO Cc1cc(F)c(C[NH+]2CCN(c3cnccc3C#N)CC2)c(Cl)c1 ZINC000583679272 459579384 /nfs/dbraw/zinc/57/93/84/459579384.db2.gz WVZJVPZURNDHEU-UHFFFAOYSA-N 1 2 344.821 3.376 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000572591298 459581475 /nfs/dbraw/zinc/58/14/75/459581475.db2.gz FSGMVOMDARKJNN-CJNGLKHVSA-N 1 2 327.428 3.400 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000491343725 459618322 /nfs/dbraw/zinc/61/83/22/459618322.db2.gz RDDKCOJPKMNOJS-UHFFFAOYSA-N 1 2 331.416 3.234 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000491343725 459618327 /nfs/dbraw/zinc/61/83/27/459618327.db2.gz RDDKCOJPKMNOJS-UHFFFAOYSA-N 1 2 331.416 3.234 20 30 EGEDLO C#C[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(Cl)cc1 ZINC000491349548 459619306 /nfs/dbraw/zinc/61/93/06/459619306.db2.gz IVGAPUPVWAUBQW-INIZCTEOSA-N 1 2 338.798 3.161 20 30 EGEDLO CSc1cc(Br)ccc1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592521924 459624550 /nfs/dbraw/zinc/62/45/50/459624550.db2.gz DWARFBHZJWPMOM-CQSZACIVSA-N 1 2 341.274 3.021 20 30 EGEDLO CSc1cc(Br)ccc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592521924 459624554 /nfs/dbraw/zinc/62/45/54/459624554.db2.gz DWARFBHZJWPMOM-CQSZACIVSA-N 1 2 341.274 3.021 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cn2c3ccccc3oc2=S)n1 ZINC000491556952 459637155 /nfs/dbraw/zinc/63/71/55/459637155.db2.gz ZWMQABFLMLQHCK-UHFFFAOYSA-N 1 2 326.425 3.273 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cn2c3ccccc3oc2=S)n1 ZINC000491556952 459637160 /nfs/dbraw/zinc/63/71/60/459637160.db2.gz ZWMQABFLMLQHCK-UHFFFAOYSA-N 1 2 326.425 3.273 20 30 EGEDLO C#CC[N@@H+](Cc1ccc(Cl)c2ccccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000491651274 459646734 /nfs/dbraw/zinc/64/67/34/459646734.db2.gz FWQPDWUYACJHQJ-OAHLLOKOSA-N 1 2 347.867 3.116 20 30 EGEDLO C#CC[N@H+](Cc1ccc(Cl)c2ccccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000491651274 459646740 /nfs/dbraw/zinc/64/67/40/459646740.db2.gz FWQPDWUYACJHQJ-OAHLLOKOSA-N 1 2 347.867 3.116 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2csc3ccccc23)n1 ZINC000491669064 459650639 /nfs/dbraw/zinc/65/06/39/459650639.db2.gz WZHAFRITDMNKES-UHFFFAOYSA-N 1 2 339.464 3.380 20 30 EGEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2csc3ccccc23)n1 ZINC000491669064 459650644 /nfs/dbraw/zinc/65/06/44/459650644.db2.gz WZHAFRITDMNKES-UHFFFAOYSA-N 1 2 339.464 3.380 20 30 EGEDLO C#C[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccc(Br)cc1 ZINC000491672587 459651411 /nfs/dbraw/zinc/65/14/11/459651411.db2.gz PQXCODQXYBABOC-DOMZBBRYSA-N 1 2 346.228 3.087 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CSc1ccc(C(C)(C)C)cc1 ZINC000584175755 459674600 /nfs/dbraw/zinc/67/46/00/459674600.db2.gz KIEMMAKVPSCPNA-GOSISDBHSA-N 1 2 333.501 3.036 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000584329167 459710866 /nfs/dbraw/zinc/71/08/66/459710866.db2.gz IEULFXXZORYYLZ-YOEHRIQHSA-N 1 2 335.411 3.209 20 30 EGEDLO CCn1cc[nH+]c1CNC(=O)/C=C\c1cn(CCC#N)c2ccccc12 ZINC000493222991 459737524 /nfs/dbraw/zinc/73/75/24/459737524.db2.gz LLPJUQVGRRSPIZ-HJWRWDBZSA-N 1 2 347.422 3.101 20 30 EGEDLO COc1cc(/C=C\C(=O)Nc2c(C)cc[nH+]c2C)ccc1OCC#N ZINC000493492443 459747457 /nfs/dbraw/zinc/74/74/57/459747457.db2.gz YONRPALOUIUJGQ-ALCCZGGFSA-N 1 2 337.379 3.261 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](OC(C)C)C2)c(C#N)c1C ZINC000593055374 459758719 /nfs/dbraw/zinc/75/87/19/459758719.db2.gz KOQKSIPLLAZYBH-CQSZACIVSA-N 1 2 335.473 3.065 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](OC(C)C)C2)c(C#N)c1C ZINC000593055374 459758724 /nfs/dbraw/zinc/75/87/24/459758724.db2.gz KOQKSIPLLAZYBH-CQSZACIVSA-N 1 2 335.473 3.065 20 30 EGEDLO CCC(C#N)(CC)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000528424579 459806546 /nfs/dbraw/zinc/80/65/46/459806546.db2.gz KOBXHIFRKFRPTD-MRXNPFEDSA-N 1 2 343.471 3.230 20 30 EGEDLO CC1(C#N)CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3F)C2=O)CC1 ZINC000528438436 459806562 /nfs/dbraw/zinc/80/65/62/459806562.db2.gz JZIYMXWDMSCIQG-HNNXBMFYSA-N 1 2 335.810 3.210 20 30 EGEDLO Cc1cc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)c(C#N)cn1 ZINC000566135979 459812202 /nfs/dbraw/zinc/81/22/02/459812202.db2.gz CSHVYSFJHCYSIB-UHFFFAOYSA-N 1 2 349.463 3.194 20 30 EGEDLO C=CCN(CCc1ccccc1)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000586756312 459864685 /nfs/dbraw/zinc/86/46/85/459864685.db2.gz VHCWFZXQTWWZHU-UHFFFAOYSA-N 1 2 333.435 3.443 20 30 EGEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2cccc(F)c2)cc1 ZINC000574804221 459874688 /nfs/dbraw/zinc/87/46/88/459874688.db2.gz UQASXRXTTZMBKI-KRWDZBQOSA-N 1 2 343.402 3.236 20 30 EGEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2cccc(F)c2)cc1 ZINC000574804221 459874690 /nfs/dbraw/zinc/87/46/90/459874690.db2.gz UQASXRXTTZMBKI-KRWDZBQOSA-N 1 2 343.402 3.236 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC000574815070 459876723 /nfs/dbraw/zinc/87/67/23/459876723.db2.gz QEIBHWLLWBDCCW-SFHVURJKSA-N 1 2 335.879 3.259 20 30 EGEDLO CC[C@H](C#N)C(=O)Nc1nc2c(s1)CC[N@H+](Cc1ccccc1)C2 ZINC000593414710 459882910 /nfs/dbraw/zinc/88/29/10/459882910.db2.gz QZBFTXHPEIFLSF-CQSZACIVSA-N 1 2 340.452 3.190 20 30 EGEDLO CC[C@H](C#N)C(=O)Nc1nc2c(s1)CC[N@@H+](Cc1ccccc1)C2 ZINC000593414710 459882915 /nfs/dbraw/zinc/88/29/15/459882915.db2.gz QZBFTXHPEIFLSF-CQSZACIVSA-N 1 2 340.452 3.190 20 30 EGEDLO C=CCCC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000588020196 459903399 /nfs/dbraw/zinc/90/33/99/459903399.db2.gz XHRVIGRDDJAKQI-UHFFFAOYSA-N 1 2 326.362 3.316 20 30 EGEDLO CC[N@H+](Cc1ccc(I)s1)C[C@@H](C)C#N ZINC000602448504 459944019 /nfs/dbraw/zinc/94/40/19/459944019.db2.gz VLVBQOZANPAKLA-VIFPVBQESA-N 1 2 334.226 3.334 20 30 EGEDLO CC[N@@H+](Cc1ccc(I)s1)C[C@@H](C)C#N ZINC000602448504 459944017 /nfs/dbraw/zinc/94/40/17/459944017.db2.gz VLVBQOZANPAKLA-VIFPVBQESA-N 1 2 334.226 3.334 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)n1 ZINC000602462539 459950192 /nfs/dbraw/zinc/95/01/92/459950192.db2.gz NITQWUDVAUTJHR-QGZVFWFLSA-N 1 2 345.349 3.128 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)n1 ZINC000602462539 459950202 /nfs/dbraw/zinc/95/02/02/459950202.db2.gz NITQWUDVAUTJHR-QGZVFWFLSA-N 1 2 345.349 3.128 20 30 EGEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000618289732 459959944 /nfs/dbraw/zinc/95/99/44/459959944.db2.gz RHACAUYFKUJMTE-SFHVURJKSA-N 1 2 340.496 3.476 20 30 EGEDLO C[C@@H](c1ccncc1)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000618326703 459966021 /nfs/dbraw/zinc/96/60/21/459966021.db2.gz HVNCJRRFNMYZBD-AWEZNQCLSA-N 1 2 326.831 3.490 20 30 EGEDLO Cc1oc(-c2ccccc2)nc1C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609486628 459969746 /nfs/dbraw/zinc/96/97/46/459969746.db2.gz OAVKWICUBFVRCC-IBGZPJMESA-N 1 2 338.455 3.316 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc2c(cc1Br)OCCO2 ZINC000594009956 460054309 /nfs/dbraw/zinc/05/43/09/460054309.db2.gz QXRIQYLFQPKSFD-NSHDSACASA-N 1 2 325.206 3.002 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000576231010 460097074 /nfs/dbraw/zinc/09/70/74/460097074.db2.gz WMCJLQYCUGZDNV-DZKIICNBSA-N 1 2 340.254 3.057 20 30 EGEDLO Cc1csc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1C#N ZINC000594107356 460104139 /nfs/dbraw/zinc/10/41/39/460104139.db2.gz IJMHPHZIEUYOHH-BXUZGUMPSA-N 1 2 329.429 3.240 20 30 EGEDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH2+][C@H](C)CC#N)cc1OC ZINC000602868215 460165421 /nfs/dbraw/zinc/16/54/21/460165421.db2.gz IDRVEHBYCYGUCK-QWHCGFSZSA-N 1 2 335.404 3.420 20 30 EGEDLO CC[C@@]1(CO)CCC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000614599413 460181199 /nfs/dbraw/zinc/18/11/99/460181199.db2.gz DVFWFERQXBXHSR-HXUWFJFHSA-N 1 2 338.455 3.037 20 30 EGEDLO CC[C@@]1(CO)CCC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000614599413 460181203 /nfs/dbraw/zinc/18/12/03/460181203.db2.gz DVFWFERQXBXHSR-HXUWFJFHSA-N 1 2 338.455 3.037 20 30 EGEDLO CN(C(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1ccco1)C1(C#N)CCCCC1 ZINC000602925194 460188406 /nfs/dbraw/zinc/18/84/06/460188406.db2.gz IWJAVPMQXHGRIJ-KRWDZBQOSA-N 1 2 329.444 3.347 20 30 EGEDLO CN(C(=O)C[N@H+]1CC(C)(C)[C@@H]1c1ccco1)C1(C#N)CCCCC1 ZINC000602925194 460188410 /nfs/dbraw/zinc/18/84/10/460188410.db2.gz IWJAVPMQXHGRIJ-KRWDZBQOSA-N 1 2 329.444 3.347 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000602997587 460216811 /nfs/dbraw/zinc/21/68/11/460216811.db2.gz NGOJABSLLFLJPJ-ZACQAIPSSA-N 1 2 349.272 3.446 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000602997587 460216818 /nfs/dbraw/zinc/21/68/18/460216818.db2.gz NGOJABSLLFLJPJ-ZACQAIPSSA-N 1 2 349.272 3.446 20 30 EGEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000610728659 460226558 /nfs/dbraw/zinc/22/65/58/460226558.db2.gz OIVORSIPDSHITJ-UHFFFAOYSA-N 1 2 343.446 3.358 20 30 EGEDLO Cc1ccc2sc(C[NH+]3CCN([C@@H](C#N)C(C)C)CC3)nc2c1 ZINC000599336610 460232267 /nfs/dbraw/zinc/23/22/67/460232267.db2.gz LOWONHIDGQEXLU-INIZCTEOSA-N 1 2 328.485 3.271 20 30 EGEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCCOC[C@@H]2C)ccc1Cl ZINC000610990831 460272798 /nfs/dbraw/zinc/27/27/98/460272798.db2.gz PQVZIRFQKJEKOF-HNNXBMFYSA-N 1 2 349.862 3.006 20 30 EGEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCCOC[C@@H]2C)ccc1Cl ZINC000610990831 460272800 /nfs/dbraw/zinc/27/28/00/460272800.db2.gz PQVZIRFQKJEKOF-HNNXBMFYSA-N 1 2 349.862 3.006 20 30 EGEDLO COc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2OC(F)F)cn1 ZINC000611209015 460308234 /nfs/dbraw/zinc/30/82/34/460308234.db2.gz BTUDFIXMZGRUGE-UHFFFAOYSA-N 1 2 333.338 3.195 20 30 EGEDLO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)cn1 ZINC000611209015 460308238 /nfs/dbraw/zinc/30/82/38/460308238.db2.gz BTUDFIXMZGRUGE-UHFFFAOYSA-N 1 2 333.338 3.195 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCc1ccccc1OC)Cc1ccccc1F ZINC000615352698 460314005 /nfs/dbraw/zinc/31/40/05/460314005.db2.gz IDFBDVHWDZPRSG-UHFFFAOYSA-N 1 2 342.414 3.139 20 30 EGEDLO C=CC[N@H+](CC(=O)NCc1ccccc1OC)Cc1ccccc1F ZINC000615352698 460314011 /nfs/dbraw/zinc/31/40/11/460314011.db2.gz IDFBDVHWDZPRSG-UHFFFAOYSA-N 1 2 342.414 3.139 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nccc4ccccc43)CC2)cc1 ZINC000611252857 460317305 /nfs/dbraw/zinc/31/73/05/460317305.db2.gz ZGFUMWBOQSDFNO-UHFFFAOYSA-N 1 2 342.446 3.424 20 30 EGEDLO Cc1cccc([C@H](CNc2nc(C#N)ccc2C)[NH+]2CCOCC2)c1 ZINC000611399212 460355530 /nfs/dbraw/zinc/35/55/30/460355530.db2.gz AXKPBGCRZXIGJP-IBGZPJMESA-N 1 2 336.439 3.056 20 30 EGEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCOc2ccc(F)cc2Cl)CC1 ZINC000611432229 460364012 /nfs/dbraw/zinc/36/40/12/460364012.db2.gz VJWZSMWIOFJREH-MRXNPFEDSA-N 1 2 339.842 3.024 20 30 EGEDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000611516869 460383832 /nfs/dbraw/zinc/38/38/32/460383832.db2.gz ZFHAQMIYBSDRDB-CRAIPNDOSA-N 1 2 330.432 3.130 20 30 EGEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000611550400 460395518 /nfs/dbraw/zinc/39/55/18/460395518.db2.gz DUXXEGMKJKEXJI-IBGZPJMESA-N 1 2 345.368 3.486 20 30 EGEDLO COC(=O)[C@@H]1CCCCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000611575033 460406626 /nfs/dbraw/zinc/40/66/26/460406626.db2.gz HVNNUCGECRLNKD-INIZCTEOSA-N 1 2 339.357 3.475 20 30 EGEDLO COC(=O)[C@@H]1CCCCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000611575033 460406633 /nfs/dbraw/zinc/40/66/33/460406633.db2.gz HVNNUCGECRLNKD-INIZCTEOSA-N 1 2 339.357 3.475 20 30 EGEDLO N#Cc1ccccc1C[N@@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000611575359 460407049 /nfs/dbraw/zinc/40/70/49/460407049.db2.gz GVJAWUNTHBYNSN-KRWDZBQOSA-N 1 2 334.341 3.484 20 30 EGEDLO N#Cc1ccccc1C[N@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000611575359 460407055 /nfs/dbraw/zinc/40/70/55/460407055.db2.gz GVJAWUNTHBYNSN-KRWDZBQOSA-N 1 2 334.341 3.484 20 30 EGEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000619716752 460421414 /nfs/dbraw/zinc/42/14/14/460421414.db2.gz CKBNCGRWWREXKS-GOSISDBHSA-N 1 2 328.412 3.084 20 30 EGEDLO CCOC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CCc1ccc(C#N)cc1 ZINC000600592753 460536862 /nfs/dbraw/zinc/53/68/62/460536862.db2.gz GROMNBXOAUHVIJ-LJQANCHMSA-N 1 2 340.398 3.004 20 30 EGEDLO C[C@H]([NH2+]Cc1c(Br)cnn1C)c1ccc(C#N)c(F)c1 ZINC000601292133 460778685 /nfs/dbraw/zinc/77/86/85/460778685.db2.gz KRGOGAQROZLPBS-VIFPVBQESA-N 1 2 337.196 3.044 20 30 EGEDLO C=CCCNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000665942980 461360627 /nfs/dbraw/zinc/36/06/27/461360627.db2.gz LSKOZWUTPDNHRF-UHFFFAOYSA-N 1 2 332.835 3.324 20 30 EGEDLO C=CCCn1cc(CNc2cccc(-c3ccc4c(c3)CCO4)[nH+]2)nn1 ZINC000656772675 461886606 /nfs/dbraw/zinc/88/66/06/461886606.db2.gz WINGAVPUFRNMIP-UHFFFAOYSA-N 1 2 347.422 3.463 20 30 EGEDLO C=CC[N@H+](Cc1nc2sc3c(c2c(N)n1)CCCC3)[C@H](C)COC ZINC000661244164 462167927 /nfs/dbraw/zinc/16/79/27/462167927.db2.gz QZEASRDAVJASHF-GFCCVEGCSA-N 1 2 346.500 3.175 20 30 EGEDLO C=CC[N@@H+](Cc1nc2sc3c(c2c(N)n1)CCCC3)[C@H](C)COC ZINC000661244164 462167933 /nfs/dbraw/zinc/16/79/33/462167933.db2.gz QZEASRDAVJASHF-GFCCVEGCSA-N 1 2 346.500 3.175 20 30 EGEDLO C=C[C@H](CO)[NH2+][C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000662167079 462533543 /nfs/dbraw/zinc/53/35/43/462533543.db2.gz RJTHNFMZJAXYEK-WCBMZHEXSA-N 1 2 328.199 3.241 20 30 EGEDLO C=C[C@H](CO)[NH2+][C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000662167030 462533742 /nfs/dbraw/zinc/53/37/42/462533742.db2.gz ORBSKEJDCBGFAA-PSASIEDQSA-N 1 2 328.199 3.241 20 30 EGEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(Cl)c(C(F)(F)F)c2)nn1 ZINC000641037963 462538562 /nfs/dbraw/zinc/53/85/62/462538562.db2.gz NQDPBHHHASWWRM-UHFFFAOYSA-N 1 2 342.752 3.112 20 30 EGEDLO C[C@@H]1CCN(C(=O)Nc2ccc(F)cc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000131460864 533986640 /nfs/dbraw/zinc/98/66/40/533986640.db2.gz KPYUZHMWGSLNGH-WBMJQRKESA-N 1 2 327.363 3.009 20 30 EGEDLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccc(C#N)c3)c2C1 ZINC000171346352 528328412 /nfs/dbraw/zinc/32/84/12/528328412.db2.gz OFQZQLOQUQTHMT-UHFFFAOYSA-N 1 2 341.436 3.085 20 30 EGEDLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3cccc(C#N)c3)c2C1 ZINC000171346352 528328416 /nfs/dbraw/zinc/32/84/16/528328416.db2.gz OFQZQLOQUQTHMT-UHFFFAOYSA-N 1 2 341.436 3.085 20 30 EGEDLO C[NH+](C)Cc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1Cl ZINC000357963488 536015448 /nfs/dbraw/zinc/01/54/48/536015448.db2.gz IDCHVMPJHBBGMC-UHFFFAOYSA-N 1 2 329.787 3.231 20 30 EGEDLO O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)C1CCSCC1 ZINC000329435796 547496769 /nfs/dbraw/zinc/49/67/69/547496769.db2.gz LSKFXSGNEPHFGU-UHFFFAOYSA-N 1 2 346.456 3.131 20 30 EGEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CCCN1c1ccccc1 ZINC000330270906 547517639 /nfs/dbraw/zinc/51/76/39/547517639.db2.gz VAFHUDKFNQYURJ-SFHVURJKSA-N 1 2 338.455 3.387 20 30 EGEDLO Cc1cnc(C2CC[NH+](CC(=O)Nc3c(C)nn(C)c3C)CC2)s1 ZINC000330337987 547519577 /nfs/dbraw/zinc/51/95/77/547519577.db2.gz USTCMFXTLUEGNM-UHFFFAOYSA-N 1 2 347.488 3.269 20 30 EGEDLO COCC#CC[N@@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000681032472 549944619 /nfs/dbraw/zinc/94/46/19/549944619.db2.gz XQANDVFDQRYILQ-OAHLLOKOSA-N 1 2 326.209 3.375 20 30 EGEDLO COCC#CC[N@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000681032472 549944621 /nfs/dbraw/zinc/94/46/21/549944621.db2.gz XQANDVFDQRYILQ-OAHLLOKOSA-N 1 2 326.209 3.375 20 30 EGEDLO CCOc1ccc(C(C)=O)cc1CO[NH+]=C(N)c1ccc(F)cc1 ZINC000727488788 574670751 /nfs/dbraw/zinc/67/07/51/574670751.db2.gz ZNLITQRQJSRYBW-UHFFFAOYSA-N 1 2 330.359 3.264 20 30 EGEDLO C#Cc1ccc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cn1 ZINC000728861078 574779630 /nfs/dbraw/zinc/77/96/30/574779630.db2.gz FKRKUXZSBSFBNZ-UHFFFAOYSA-N 1 2 340.452 3.004 20 30 EGEDLO COc1cc(OC)c(CC/[NH+]=C/c2cccc(OC)c2O)c(OC)c1 ZINC000730950307 575036894 /nfs/dbraw/zinc/03/68/94/575036894.db2.gz CWPSBLLPJXVJET-UDWIEESQSA-N 1 2 345.395 3.088 20 30 EGEDLO C=CCCC[NH2+][C@](C)(C(=O)OC)c1cccc(Br)c1 ZINC000735492915 575669733 /nfs/dbraw/zinc/66/97/33/575669733.db2.gz KSEIPKQJPKKISS-HNNXBMFYSA-N 1 2 326.234 3.393 20 30 EGEDLO C=CC[C@H](NC(=O)Cn1c(CC)[nH+]c2ccccc21)c1ccncc1 ZINC000734460883 575495009 /nfs/dbraw/zinc/49/50/09/575495009.db2.gz RZFBGOYGVLCYNS-INIZCTEOSA-N 1 2 334.423 3.427 20 30 EGEDLO C=CC[C@@H](NC(=O)NCc1cn2cc(C)ccc2[nH+]1)c1ccncc1 ZINC000734661779 575533419 /nfs/dbraw/zinc/53/34/19/575533419.db2.gz QIMFURJFGVLSRY-QGZVFWFLSA-N 1 2 335.411 3.154 20 30 EGEDLO C=CC[C@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccncc1 ZINC000734663076 575534059 /nfs/dbraw/zinc/53/40/59/575534059.db2.gz HDHHSWLIXXWFGP-SFHVURJKSA-N 1 2 347.422 3.384 20 30 EGEDLO COC(=O)[C@H](c1ccccc1)[N@H+](C)CCCOc1ccc(C#N)cc1 ZINC000736311264 575932609 /nfs/dbraw/zinc/93/26/09/575932609.db2.gz GZYIGSKGVJDFKC-IBGZPJMESA-N 1 2 338.407 3.173 20 30 EGEDLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000736311264 575932612 /nfs/dbraw/zinc/93/26/12/575932612.db2.gz GZYIGSKGVJDFKC-IBGZPJMESA-N 1 2 338.407 3.173 20 30 EGEDLO C=CC[N@@H+](CCc1ccccc1)CN1C(=O)N[C@@](CC)(C(C)C)C1=O ZINC000738030123 576281494 /nfs/dbraw/zinc/28/14/94/576281494.db2.gz OGKRJHMAFIICPP-FQEVSTJZSA-N 1 2 343.471 3.031 20 30 EGEDLO C=CC[N@H+](CCc1ccccc1)CN1C(=O)N[C@@](CC)(C(C)C)C1=O ZINC000738030123 576281496 /nfs/dbraw/zinc/28/14/96/576281496.db2.gz OGKRJHMAFIICPP-FQEVSTJZSA-N 1 2 343.471 3.031 20 30 EGEDLO CCN(CCO)c1ccc(C=[NH+]Nc2cc(Cl)nc(C)n2)c(C)c1 ZINC000741765694 576718401 /nfs/dbraw/zinc/71/84/01/576718401.db2.gz BUWYZSWWXLIKRJ-UHFFFAOYSA-N 1 2 347.850 3.011 20 30 EGEDLO CC[C@H](C)C[C@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000742264916 576764369 /nfs/dbraw/zinc/76/43/69/576764369.db2.gz CIMCQNKMOBVDRE-KBPBESRZSA-N 1 2 340.471 3.471 20 30 EGEDLO C#CCOc1ccc(C(=O)NCCNc2ccc3ccccc3[nH+]2)cc1 ZINC000743460375 576809710 /nfs/dbraw/zinc/80/97/10/576809710.db2.gz WFFCRMMTARZGSD-UHFFFAOYSA-N 1 2 345.402 3.089 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC000821330247 598191794 /nfs/dbraw/zinc/19/17/94/598191794.db2.gz YCAQCSPVTDHISB-UHFFFAOYSA-N 1 2 349.434 3.011 20 30 EGEDLO NC(=[NH+]OCc1ccc(Cl)cn1)c1ccc(Br)cc1 ZINC000767560892 1302711380 /nfs/dbraw/zinc/71/13/80/1302711380.db2.gz VOKXFBWOFWTRAY-UHFFFAOYSA-N 1 2 340.608 3.335 20 30 EGEDLO Cc1ccc(NC(=O)CO[NH+]=C(N)c2ccc(F)c(C)c2)cc1C ZINC000063458113 1292009797 /nfs/dbraw/zinc/00/97/97/1292009797.db2.gz OZXYNWFWWYQBPY-UHFFFAOYSA-N 1 2 329.375 3.027 20 30 EGEDLO Cc1ccc(NC(=O)CO[NH+]=C(N)c2ccc(F)c(C)c2)c(C)c1 ZINC000063458093 1292010283 /nfs/dbraw/zinc/01/02/83/1292010283.db2.gz VFAFHEVQRQNCHE-UHFFFAOYSA-N 1 2 329.375 3.027 20 30 EGEDLO C#CCC[N@@H+](CCOC)Cc1c(Cl)nc2cc(Cl)ccn21 ZINC000827827653 1292383349 /nfs/dbraw/zinc/38/33/49/1292383349.db2.gz WPGCGSRJRBLBJY-UHFFFAOYSA-N 1 2 326.227 3.113 20 30 EGEDLO C#CCC[N@H+](CCOC)Cc1c(Cl)nc2cc(Cl)ccn21 ZINC000827827653 1292383357 /nfs/dbraw/zinc/38/33/57/1292383357.db2.gz WPGCGSRJRBLBJY-UHFFFAOYSA-N 1 2 326.227 3.113 20 30 EGEDLO C#CC1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000831103910 1292810135 /nfs/dbraw/zinc/81/01/35/1292810135.db2.gz JQGSBTDPCDLJBJ-AWEZNQCLSA-N 1 2 346.500 3.252 20 30 EGEDLO C#CC1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000831103910 1292810144 /nfs/dbraw/zinc/81/01/44/1292810144.db2.gz JQGSBTDPCDLJBJ-AWEZNQCLSA-N 1 2 346.500 3.252 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2c[nH]nc2-c2ccc(C)o2)c1 ZINC000092143024 1292855992 /nfs/dbraw/zinc/85/59/92/1292855992.db2.gz SRJFAUFVYQYPNI-UHFFFAOYSA-N 1 2 348.406 3.030 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2c[nH]nc2-c2ccc(C)o2)c1 ZINC000092143024 1292856004 /nfs/dbraw/zinc/85/60/04/1292856004.db2.gz SRJFAUFVYQYPNI-UHFFFAOYSA-N 1 2 348.406 3.030 20 30 EGEDLO C#CCCN(CC(F)(F)F)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000832276368 1292980821 /nfs/dbraw/zinc/98/08/21/1292980821.db2.gz UIFOZGLVZFBLSV-HNNXBMFYSA-N 1 2 349.356 3.346 20 30 EGEDLO CC[C@](C)(C#N)C(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC000834644181 1293126807 /nfs/dbraw/zinc/12/68/07/1293126807.db2.gz IFUZRINUDRULPE-HXUWFJFHSA-N 1 2 336.439 3.144 20 30 EGEDLO O=[N+]([O-])c1ccc(O)c(/C=N/C[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000114630794 1293174588 /nfs/dbraw/zinc/17/45/88/1293174588.db2.gz JQGWARMPLBYIDM-BAOGCXAUSA-N 1 2 339.395 3.384 20 30 EGEDLO O=[N+]([O-])c1ccc(O)c(/C=N/C[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000114630794 1293174592 /nfs/dbraw/zinc/17/45/92/1293174592.db2.gz JQGWARMPLBYIDM-BAOGCXAUSA-N 1 2 339.395 3.384 20 30 EGEDLO C[C@@H](N[NH+]=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000834996828 1293184269 /nfs/dbraw/zinc/18/42/69/1293184269.db2.gz WQMRPQNBKLXULF-LLVKDONJSA-N 1 2 344.337 3.459 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+]2CC[C@@H](CC)C2)c1=S ZINC000119573840 1293278101 /nfs/dbraw/zinc/27/81/01/1293278101.db2.gz FBLXLVLASLIZTE-CQSZACIVSA-N 1 2 329.473 3.351 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2CC[C@@H](CC)C2)c1=S ZINC000119573840 1293278108 /nfs/dbraw/zinc/27/81/08/1293278108.db2.gz FBLXLVLASLIZTE-CQSZACIVSA-N 1 2 329.473 3.351 20 30 EGEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH+]1Cc2ccccc2C1 ZINC000155515895 1294102323 /nfs/dbraw/zinc/10/23/23/1294102323.db2.gz KJHGNXGASSVQMM-KRWDZBQOSA-N 1 2 340.386 3.239 20 30 EGEDLO CN1C(=O)CCc2cc(C(=O)/C=C/c3c[nH+]c4ccccn34)ccc21 ZINC000162690578 1294319845 /nfs/dbraw/zinc/31/98/45/1294319845.db2.gz GEQBIWUECKWJSV-VQHVLOKHSA-N 1 2 331.375 3.139 20 30 EGEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c1=S ZINC000172915398 1294448943 /nfs/dbraw/zinc/44/89/43/1294448943.db2.gz ONBCXWSTZJAVJR-QGZVFWFLSA-N 1 2 328.485 3.431 20 30 EGEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c1=S ZINC000172915398 1294448946 /nfs/dbraw/zinc/44/89/46/1294448946.db2.gz ONBCXWSTZJAVJR-QGZVFWFLSA-N 1 2 328.485 3.431 20 30 EGEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)oc2cc(O)ccc12 ZINC000182100685 1295019905 /nfs/dbraw/zinc/01/99/05/1295019905.db2.gz BZLQXCKERIEULH-UHFFFAOYSA-N 1 2 337.350 3.273 20 30 EGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)oc2cc(O)ccc12 ZINC000182100685 1295019918 /nfs/dbraw/zinc/01/99/18/1295019918.db2.gz BZLQXCKERIEULH-UHFFFAOYSA-N 1 2 337.350 3.273 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+]2CC[C@H](C)[C@@H]2C)c1=S ZINC000247178817 1296384273 /nfs/dbraw/zinc/38/42/73/1296384273.db2.gz ZQTITVRCELISPQ-KBPBESRZSA-N 1 2 329.473 3.350 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+]2CC[C@H](C)[C@@H]2C)c1=S ZINC000247178817 1296384288 /nfs/dbraw/zinc/38/42/88/1296384288.db2.gz ZQTITVRCELISPQ-KBPBESRZSA-N 1 2 329.473 3.350 20 30 EGEDLO C=CCc1ccc(OC[C@H](O)Cn2c[nH+]c(C(C)(C)C)c2)c(OC)c1 ZINC000871989016 1296642710 /nfs/dbraw/zinc/64/27/10/1296642710.db2.gz JCXKFCCFYFYDFQ-MRXNPFEDSA-N 1 2 344.455 3.358 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000746211432 1298552905 /nfs/dbraw/zinc/55/29/05/1298552905.db2.gz GQDXWUNAWCONTL-ZDUSSCGKSA-N 1 2 341.636 3.139 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000746211432 1298552911 /nfs/dbraw/zinc/55/29/11/1298552911.db2.gz GQDXWUNAWCONTL-ZDUSSCGKSA-N 1 2 341.636 3.139 20 30 EGEDLO Cc1c(C(=O)/C=C\c2c[nH+]c3cccc(C)n23)c(C#N)c2n1CCC2 ZINC000749005909 1299123828 /nfs/dbraw/zinc/12/38/28/1299123828.db2.gz NQBAVTVYUBSZEI-HJWRWDBZSA-N 1 2 330.391 3.467 20 30 EGEDLO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000749845123 1299285190 /nfs/dbraw/zinc/28/51/90/1299285190.db2.gz OZUWLWDYKWKIAD-GFCCVEGCSA-N 1 2 331.416 3.231 20 30 EGEDLO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000749845123 1299285203 /nfs/dbraw/zinc/28/52/03/1299285203.db2.gz OZUWLWDYKWKIAD-GFCCVEGCSA-N 1 2 331.416 3.231 20 30 EGEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCOC2(CCCC2)C1)c1ccccc1 ZINC000878198412 1299818473 /nfs/dbraw/zinc/81/84/73/1299818473.db2.gz VKLLYIRAXDGSHM-FQEVSTJZSA-N 1 2 326.440 3.072 20 30 EGEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCOC2(CCCC2)C1)c1ccccc1 ZINC000878198412 1299818488 /nfs/dbraw/zinc/81/84/88/1299818488.db2.gz VKLLYIRAXDGSHM-FQEVSTJZSA-N 1 2 326.440 3.072 20 30 EGEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCO[C@H](C(C)(C)C)C1)c1ccccc1 ZINC000878532672 1300056275 /nfs/dbraw/zinc/05/62/75/1300056275.db2.gz YDNHZUGYKKULCC-AZUAARDMSA-N 1 2 328.456 3.174 20 30 EGEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCO[C@H](C(C)(C)C)C1)c1ccccc1 ZINC000878532672 1300056285 /nfs/dbraw/zinc/05/62/85/1300056285.db2.gz YDNHZUGYKKULCC-AZUAARDMSA-N 1 2 328.456 3.174 20 30 EGEDLO N#CCOc1ccc(CC(=O)OCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000754500904 1300154240 /nfs/dbraw/zinc/15/42/40/1300154240.db2.gz UHCSLASUBCQBGB-UHFFFAOYSA-N 1 2 347.374 3.061 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cccc(C#N)c1F ZINC000879226245 1300437639 /nfs/dbraw/zinc/43/76/39/1300437639.db2.gz LVYUMLZWOJWJDJ-IUODEOHRSA-N 1 2 333.407 3.185 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cccc(C#N)c1F ZINC000879226245 1300437644 /nfs/dbraw/zinc/43/76/44/1300437644.db2.gz LVYUMLZWOJWJDJ-IUODEOHRSA-N 1 2 333.407 3.185 20 30 EGEDLO C[C@@H]1C[C@H](/N=C\c2cc([N+](=O)[O-])ccc2O)C[N@@H+]1Cc1ccccc1 ZINC000757524665 1300680652 /nfs/dbraw/zinc/68/06/52/1300680652.db2.gz AWSOZIIAOHHKTH-PFSWSCOPSA-N 1 2 339.395 3.382 20 30 EGEDLO C[C@@H]1C[C@H](/N=C\c2cc([N+](=O)[O-])ccc2O)C[N@H+]1Cc1ccccc1 ZINC000757524665 1300680658 /nfs/dbraw/zinc/68/06/58/1300680658.db2.gz AWSOZIIAOHHKTH-PFSWSCOPSA-N 1 2 339.395 3.382 20 30 EGEDLO CC[N@H+](C)[C@H](C(=O)OCc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000758950126 1300987833 /nfs/dbraw/zinc/98/78/33/1300987833.db2.gz GQJUCRZCUFAAPL-SFHVURJKSA-N 1 2 326.371 3.434 20 30 EGEDLO CC[N@@H+](C)[C@H](C(=O)OCc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000758950126 1300987838 /nfs/dbraw/zinc/98/78/38/1300987838.db2.gz GQJUCRZCUFAAPL-SFHVURJKSA-N 1 2 326.371 3.434 20 30 EGEDLO C[C@H](C(=O)OCc1ccc(F)c(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000758952784 1300988940 /nfs/dbraw/zinc/98/89/40/1300988940.db2.gz JPVYBUNLNCETER-CQSZACIVSA-N 1 2 338.382 3.187 20 30 EGEDLO C[C@H](C(=O)OCc1ccc(F)c(C#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000758952784 1300988948 /nfs/dbraw/zinc/98/89/48/1300988948.db2.gz JPVYBUNLNCETER-CQSZACIVSA-N 1 2 338.382 3.187 20 30 EGEDLO CC(C)(C)C1=CC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)CC1 ZINC000759269882 1301055123 /nfs/dbraw/zinc/05/51/23/1301055123.db2.gz ZZDUTBDCNIFWNL-UHFFFAOYSA-N 1 2 336.439 3.098 20 30 EGEDLO CC(C)(C)C1=CC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)CC1 ZINC000759269882 1301055125 /nfs/dbraw/zinc/05/51/25/1301055125.db2.gz ZZDUTBDCNIFWNL-UHFFFAOYSA-N 1 2 336.439 3.098 20 30 EGEDLO Cn1cc(N[NH+]=Cc2ccc(N3CCC(c4ccccc4)=N3)cc2)cn1 ZINC000761884622 1301560184 /nfs/dbraw/zinc/56/01/84/1301560184.db2.gz IWZUYHOBFIPHIO-UHFFFAOYSA-N 1 2 344.422 3.481 20 30 EGEDLO C[N@H+]1Cc2ccccc2[C@@H](Nc2ncc(C#N)cc2Br)C1 ZINC000882136970 1301844457 /nfs/dbraw/zinc/84/44/57/1301844457.db2.gz UIQQQWJRPDEZIN-HNNXBMFYSA-N 1 2 343.228 3.314 20 30 EGEDLO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ncc(C#N)cc2Br)C1 ZINC000882136970 1301844467 /nfs/dbraw/zinc/84/44/67/1301844467.db2.gz UIQQQWJRPDEZIN-HNNXBMFYSA-N 1 2 343.228 3.314 20 30 EGEDLO C#CC[N@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)C1CC1 ZINC000763955204 1301988367 /nfs/dbraw/zinc/98/83/67/1301988367.db2.gz JTOJPNONLRRSMG-NSHDSACASA-N 1 2 325.239 3.268 20 30 EGEDLO C#CC[N@@H+](CC(=O)NCCC(c1ccccc1)c1ccccc1)C1CC1 ZINC000763951635 1301986966 /nfs/dbraw/zinc/98/69/66/1301986966.db2.gz ZJEPUNZDNPWQJN-UHFFFAOYSA-N 1 2 346.474 3.422 20 30 EGEDLO C#CC[N@H+](CC(=O)NCCC(c1ccccc1)c1ccccc1)C1CC1 ZINC000763951635 1301986969 /nfs/dbraw/zinc/98/69/69/1301986969.db2.gz ZJEPUNZDNPWQJN-UHFFFAOYSA-N 1 2 346.474 3.422 20 30 EGEDLO C#CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)C1CC1 ZINC000763955204 1301988363 /nfs/dbraw/zinc/98/83/63/1301988363.db2.gz JTOJPNONLRRSMG-NSHDSACASA-N 1 2 325.239 3.268 20 30 EGEDLO C[N@@H+](Cc1cc2ccccc2o1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766638658 1302493819 /nfs/dbraw/zinc/49/38/19/1302493819.db2.gz WEUMPLRMMOOYPJ-UHFFFAOYSA-N 1 2 333.391 3.044 20 30 EGEDLO C[N@H+](Cc1cc2ccccc2o1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766638658 1302493825 /nfs/dbraw/zinc/49/38/25/1302493825.db2.gz WEUMPLRMMOOYPJ-UHFFFAOYSA-N 1 2 333.391 3.044 20 30 EGEDLO Brc1cncc(C=NNc2cc[nH+]c3ccccc23)c1 ZINC000767379792 1302657351 /nfs/dbraw/zinc/65/73/51/1302657351.db2.gz SMXXWFLILGEODZ-UHFFFAOYSA-N 1 2 327.185 3.260 20 30 EGEDLO CCC(=[NH+]NC(=S)Nc1ccccn1)c1ccc(N(C)C)cc1 ZINC000767807279 1302768163 /nfs/dbraw/zinc/76/81/63/1302768163.db2.gz XUJLZAVHCYIHKU-UHFFFAOYSA-N 1 2 327.457 3.248 20 30 EGEDLO CCOc1ccc(NC(=S)NN=Cc2cccc3[nH+]ccn32)cc1 ZINC000771088200 1303358691 /nfs/dbraw/zinc/35/86/91/1303358691.db2.gz KLYQEAKQNXPHBS-UHFFFAOYSA-N 1 2 339.424 3.054 20 30 EGEDLO C=CCC1(O)CC[NH+](Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1 ZINC000886776741 1303595277 /nfs/dbraw/zinc/59/52/77/1303595277.db2.gz NUWRNWUTGPLUED-UHFFFAOYSA-N 1 2 346.862 3.039 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cn1c2cc(F)ccc2oc1=O ZINC000773291297 1303656118 /nfs/dbraw/zinc/65/61/18/1303656118.db2.gz BKWULBOLOLRAGM-UHFFFAOYSA-N 1 2 342.370 3.388 20 30 EGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cn1c2cc(F)ccc2oc1=O ZINC000773291297 1303656119 /nfs/dbraw/zinc/65/61/19/1303656119.db2.gz BKWULBOLOLRAGM-UHFFFAOYSA-N 1 2 342.370 3.388 20 30 EGEDLO C#CC[C@H]([NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1)c1ccccc1 ZINC000775405462 1303958614 /nfs/dbraw/zinc/95/86/14/1303958614.db2.gz XEGPAGHZAMRRMA-INIZCTEOSA-N 1 2 347.374 3.320 20 30 EGEDLO C#C[C@H]([NH2+][C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1)[C@@H]1CCCO1 ZINC000775801989 1304040578 /nfs/dbraw/zinc/04/05/78/1304040578.db2.gz XVKGJMPATPJXDF-ACRUOGEOSA-N 1 2 348.446 3.445 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@](C)(C2CCCC2)CC1=O ZINC000780426307 1304689712 /nfs/dbraw/zinc/68/97/12/1304689712.db2.gz PWMBZZXBKPLCBK-HXUWFJFHSA-N 1 2 325.456 3.376 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C[C@](C)(C2CCCC2)CC1=O ZINC000780426307 1304689717 /nfs/dbraw/zinc/68/97/17/1304689717.db2.gz PWMBZZXBKPLCBK-HXUWFJFHSA-N 1 2 325.456 3.376 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000780637706 1304717014 /nfs/dbraw/zinc/71/70/14/1304717014.db2.gz RDCZWEXLKNGWSL-QGZVFWFLSA-N 1 2 345.487 3.414 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000780637706 1304717015 /nfs/dbraw/zinc/71/70/15/1304717015.db2.gz RDCZWEXLKNGWSL-QGZVFWFLSA-N 1 2 345.487 3.414 20 30 EGEDLO C#CCSCC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000890354938 1304762100 /nfs/dbraw/zinc/76/21/00/1304762100.db2.gz IGQPVGZLEVUGEK-UHFFFAOYSA-N 1 2 325.437 3.191 20 30 EGEDLO COc1ccc(CC(N)=[NH+]OCc2ccc(C#N)c(C)c2)cc1OC ZINC000783030198 1305038926 /nfs/dbraw/zinc/03/89/26/1305038926.db2.gz QIVQMTLMWNVNEE-UHFFFAOYSA-N 1 2 339.395 3.125 20 30 EGEDLO COc1ccc(CC(N)=[NH+]OCc2ccc(C#N)cc2Cl)cc1 ZINC000783984776 1305170998 /nfs/dbraw/zinc/17/09/98/1305170998.db2.gz QVYIOFLVPLPCJP-UHFFFAOYSA-N 1 2 329.787 3.461 20 30 EGEDLO C#CCC1(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CCCCC1 ZINC000788436842 1305941088 /nfs/dbraw/zinc/94/10/88/1305941088.db2.gz PBPLXXLHQMJRFI-UHFFFAOYSA-N 1 2 340.467 3.431 20 30 EGEDLO CCCOc1ccc(Br)cc1C=NNc1[nH+]ccn1C ZINC000790306311 1306296217 /nfs/dbraw/zinc/29/62/17/1306296217.db2.gz XEBOGOPUYKEWJY-UHFFFAOYSA-N 1 2 337.221 3.417 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000790931857 1308889543 /nfs/dbraw/zinc/88/95/43/1308889543.db2.gz LTCSVUPYIKTEFA-QMTMVMCOSA-N 1 2 349.858 3.120 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000790931857 1308889554 /nfs/dbraw/zinc/88/95/54/1308889554.db2.gz LTCSVUPYIKTEFA-QMTMVMCOSA-N 1 2 349.858 3.120 20 30 EGEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2ccc(OCC#N)cc2)s1 ZINC000794695808 1309576659 /nfs/dbraw/zinc/57/66/59/1309576659.db2.gz PJWAEIPPNGSFHE-BQYQJAHWSA-N 1 2 327.409 3.003 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@H]3CCC(F)(F)C3)CC2)cc1 ZINC000797796814 1310247514 /nfs/dbraw/zinc/24/75/14/1310247514.db2.gz FPIDEMRELWXUNA-QGZVFWFLSA-N 1 2 347.409 3.028 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([NH2+][C@@H](C)c2nc(C(C)C)no2)C1 ZINC001019232341 1317114282 /nfs/dbraw/zinc/11/42/82/1317114282.db2.gz WGRCVVDHRCJMFF-KBPBESRZSA-N 1 2 334.464 3.047 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc3cc(F)ccc3s2)C1 ZINC000957378243 1317324531 /nfs/dbraw/zinc/32/45/31/1317324531.db2.gz IKHZXVCJXMOXJQ-UHFFFAOYSA-N 1 2 330.428 3.210 20 30 EGEDLO C=C1CCN(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000929771131 1328694884 /nfs/dbraw/zinc/69/48/84/1328694884.db2.gz ZZCRTBBPKDVNIR-CALCHBBNSA-N 1 2 343.471 3.480 20 30 EGEDLO C=C1CCN(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000929771131 1328694891 /nfs/dbraw/zinc/69/48/91/1328694891.db2.gz ZZCRTBBPKDVNIR-CALCHBBNSA-N 1 2 343.471 3.480 20 30 EGEDLO C#CCN(C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000929769626 1328695528 /nfs/dbraw/zinc/69/55/28/1328695528.db2.gz RIPONQNIYMQOLF-IRXDYDNUSA-N 1 2 343.471 3.171 20 30 EGEDLO C#Cc1cncc(C(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)c1 ZINC000806309175 1317478669 /nfs/dbraw/zinc/47/86/69/1317478669.db2.gz ALZFSBYJJWRFAC-UHFFFAOYSA-N 1 2 347.462 3.144 20 30 EGEDLO Cc1nn(C)c2sc(C(=O)/C=C/c3ncc(C[NH+](C)C)s3)cc12 ZINC000806577202 1317504997 /nfs/dbraw/zinc/50/49/97/1317504997.db2.gz OKXWVTBMVJVWKO-AATRIKPKSA-N 1 2 346.481 3.357 20 30 EGEDLO N#Cc1ccc(NC(=O)c2cccc3[nH+]ccn32)cc1Br ZINC000808870635 1317746985 /nfs/dbraw/zinc/74/69/85/1317746985.db2.gz HZDLGBLCHQGTNU-UHFFFAOYSA-N 1 2 341.168 3.221 20 30 EGEDLO CC(C)[N@H+](Cc1ncc(C2OCCO2)s1)Cc1ccc(C#N)cc1 ZINC000809545579 1317829221 /nfs/dbraw/zinc/82/92/21/1317829221.db2.gz NPEVCVYDVBDZPS-UHFFFAOYSA-N 1 2 343.452 3.471 20 30 EGEDLO CC(C)[N@@H+](Cc1ncc(C2OCCO2)s1)Cc1ccc(C#N)cc1 ZINC000809545579 1317829231 /nfs/dbraw/zinc/82/92/31/1317829231.db2.gz NPEVCVYDVBDZPS-UHFFFAOYSA-N 1 2 343.452 3.471 20 30 EGEDLO C=CC[N@H+](Cc1cn(-c2ccccc2Br)nn1)C(C)C ZINC000811456237 1318178962 /nfs/dbraw/zinc/17/89/62/1318178962.db2.gz IRJGLWSDCBLMSL-UHFFFAOYSA-N 1 2 335.249 3.426 20 30 EGEDLO C=CC[N@@H+](Cc1cn(-c2ccccc2Br)nn1)C(C)C ZINC000811456237 1318178969 /nfs/dbraw/zinc/17/89/69/1318178969.db2.gz IRJGLWSDCBLMSL-UHFFFAOYSA-N 1 2 335.249 3.426 20 30 EGEDLO CN(C)c1[nH+]cc(CN=Nc2nc(-c3ccccc3)cs2)n1C ZINC000811636047 1318216249 /nfs/dbraw/zinc/21/62/49/1318216249.db2.gz WQDCSOHBOVQKHM-UHFFFAOYSA-N 1 2 326.429 3.056 20 30 EGEDLO C=C(C)Cn1c(C(C)C)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000909238550 1318450691 /nfs/dbraw/zinc/45/06/91/1318450691.db2.gz ABDHHKZDMKBCKE-UHFFFAOYSA-N 1 2 340.475 3.454 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCN1C(=O)c1ccoc1 ZINC000960425719 1318549714 /nfs/dbraw/zinc/54/97/14/1318549714.db2.gz XPHKXWQTTQPTFK-GOSISDBHSA-N 1 2 341.386 3.027 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCN1C(=O)c1ccoc1 ZINC000960425719 1318549718 /nfs/dbraw/zinc/54/97/18/1318549718.db2.gz XPHKXWQTTQPTFK-GOSISDBHSA-N 1 2 341.386 3.027 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)/C=C/C1CC1 ZINC000960510175 1318622677 /nfs/dbraw/zinc/62/26/77/1318622677.db2.gz UPDAHZJANRLIRQ-AIADIJKESA-N 1 2 341.430 3.086 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)/C=C/C1CC1 ZINC000960510175 1318622683 /nfs/dbraw/zinc/62/26/83/1318622683.db2.gz UPDAHZJANRLIRQ-AIADIJKESA-N 1 2 341.430 3.086 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)/C=C\C1CC1 ZINC000960510178 1318623245 /nfs/dbraw/zinc/62/32/45/1318623245.db2.gz UPDAHZJANRLIRQ-QBUQCISBSA-N 1 2 341.430 3.086 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)/C=C\C1CC1 ZINC000960510178 1318623257 /nfs/dbraw/zinc/62/32/57/1318623257.db2.gz UPDAHZJANRLIRQ-QBUQCISBSA-N 1 2 341.430 3.086 20 30 EGEDLO C=C(C)COc1cc(C[N@H+](C)[C@H]2CC(C)(C)OC2=O)ccc1OC ZINC000814181235 1318693699 /nfs/dbraw/zinc/69/36/99/1318693699.db2.gz XUWSESHGCIDSBO-HNNXBMFYSA-N 1 2 333.428 3.176 20 30 EGEDLO C=C(C)COc1cc(C[N@@H+](C)[C@H]2CC(C)(C)OC2=O)ccc1OC ZINC000814181235 1318693706 /nfs/dbraw/zinc/69/37/06/1318693706.db2.gz XUWSESHGCIDSBO-HNNXBMFYSA-N 1 2 333.428 3.176 20 30 EGEDLO C=CCC[C@@H]1CCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000911881771 1318775646 /nfs/dbraw/zinc/77/56/46/1318775646.db2.gz SCSHGCKPFBGWGY-QGZVFWFLSA-N 1 2 328.460 3.322 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC000960786985 1318888289 /nfs/dbraw/zinc/88/82/89/1318888289.db2.gz GRTOVUDTIHSOHT-HNNXBMFYSA-N 1 2 331.460 3.187 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ncc(C2CC2)o1 ZINC000960786985 1318888297 /nfs/dbraw/zinc/88/82/97/1318888297.db2.gz GRTOVUDTIHSOHT-HNNXBMFYSA-N 1 2 331.460 3.187 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2nccn2CC)CC1 ZINC000960840690 1318975378 /nfs/dbraw/zinc/97/53/78/1318975378.db2.gz YPCSYDJBZPTLCZ-SFHVURJKSA-N 1 2 344.503 3.072 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2nccn2CC)CC1 ZINC000960840690 1318975389 /nfs/dbraw/zinc/97/53/89/1318975389.db2.gz YPCSYDJBZPTLCZ-SFHVURJKSA-N 1 2 344.503 3.072 20 30 EGEDLO CC(C)[C@H](C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000960905047 1319046569 /nfs/dbraw/zinc/04/65/69/1319046569.db2.gz IAPGLBWPJKNRHM-KXBFYZLASA-N 1 2 345.462 3.412 20 30 EGEDLO CC(C)[C@H](C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000960905047 1319046577 /nfs/dbraw/zinc/04/65/77/1319046577.db2.gz IAPGLBWPJKNRHM-KXBFYZLASA-N 1 2 345.462 3.412 20 30 EGEDLO N#Cc1cc(NC(=O)N2CCC(Nc3cccc[nH+]3)CC2)ccc1F ZINC000930188850 1328808144 /nfs/dbraw/zinc/80/81/44/1328808144.db2.gz RNLXGUPOTKCBHE-UHFFFAOYSA-N 1 2 339.374 3.201 20 30 EGEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccsc3C#N)CC2)cc1 ZINC000915063081 1319416073 /nfs/dbraw/zinc/41/60/73/1319416073.db2.gz UBZRRZWXXJKUQI-UHFFFAOYSA-N 1 2 339.464 3.140 20 30 EGEDLO N#Cc1ccc(N[NH+]=Cc2c(Cl)cccc2N2CCOCC2)cc1 ZINC000915961714 1319571500 /nfs/dbraw/zinc/57/15/00/1319571500.db2.gz DOXMCLGJGLOUDL-UHFFFAOYSA-N 1 2 340.814 3.494 20 30 EGEDLO CCN(CCO)c1ccc(C=[NH+]Nc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000916245023 1319624682 /nfs/dbraw/zinc/62/46/82/1319624682.db2.gz OIEVUVTUCLADTL-UHFFFAOYSA-N 1 2 342.399 3.168 20 30 EGEDLO C=CC[N@@H+](CN1C(=O)N[C@@](CC)(c2ccc(Cl)cc2)C1=O)C(C)C ZINC000917481501 1319818504 /nfs/dbraw/zinc/81/85/04/1319818504.db2.gz MAFCMDXERNLPHR-SFHVURJKSA-N 1 2 349.862 3.351 20 30 EGEDLO C=CC[N@H+](CN1C(=O)N[C@@](CC)(c2ccc(Cl)cc2)C1=O)C(C)C ZINC000917481501 1319818511 /nfs/dbraw/zinc/81/85/11/1319818511.db2.gz MAFCMDXERNLPHR-SFHVURJKSA-N 1 2 349.862 3.351 20 30 EGEDLO C#C[C@@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000820572003 1319913931 /nfs/dbraw/zinc/91/39/31/1319913931.db2.gz AAXKPPPTVKZSKC-IAGOWNOFSA-N 1 2 342.830 3.258 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NCCCN1CCCCCC1=O ZINC000820604337 1319920211 /nfs/dbraw/zinc/92/02/11/1319920211.db2.gz GVPNBOCBWGESLM-UHFFFAOYSA-N 1 2 329.444 3.078 20 30 EGEDLO CC(C)(C)OC(=O)NCC[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C(F)F ZINC000824677358 1320276345 /nfs/dbraw/zinc/27/63/45/1320276345.db2.gz CGGJHQPMFGVTNW-AVGNSLFASA-N 1 2 331.407 3.207 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)O[C@@H]1CCC[C@H](C#N)C1 ZINC000839059321 1320861340 /nfs/dbraw/zinc/86/13/40/1320861340.db2.gz OVOINPLZWISTKV-NWDGAFQWSA-N 1 2 333.338 3.249 20 30 EGEDLO C[C@@]1(Cc2ccccc2)CC(=O)N(C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000842602098 1321404975 /nfs/dbraw/zinc/40/49/75/1321404975.db2.gz SAAXCDCPXVLDDS-HXUWFJFHSA-N 1 2 325.456 3.051 20 30 EGEDLO COc1ccc(Cl)cc1C#CCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845287555 1321694799 /nfs/dbraw/zinc/69/47/99/1321694799.db2.gz XEIUJVNWONUFLC-CYBMUJFWSA-N 1 2 332.787 3.091 20 30 EGEDLO C=CCN(CC=C)C(=O)Cn1c2ccccc2[nH+]c1NCCCC ZINC000849478578 1322124306 /nfs/dbraw/zinc/12/43/06/1322124306.db2.gz YXYBNHUBOXCLAO-UHFFFAOYSA-N 1 2 326.444 3.449 20 30 EGEDLO CC[N@H+](CCCCCCN1C(=O)c2ccccc2C1=O)[C@H](C)C#N ZINC000852645792 1323220184 /nfs/dbraw/zinc/22/01/84/1323220184.db2.gz LNNCMDJLOSETIU-OAHLLOKOSA-N 1 2 327.428 3.077 20 30 EGEDLO CC[N@@H+](CCCCCCN1C(=O)c2ccccc2C1=O)[C@H](C)C#N ZINC000852645792 1323220190 /nfs/dbraw/zinc/22/01/90/1323220190.db2.gz LNNCMDJLOSETIU-OAHLLOKOSA-N 1 2 327.428 3.077 20 30 EGEDLO CC(C)(C)C[N@@H+](CC(=O)OC(C)(C)C)C[C@H](O)c1ccc(C#N)cc1 ZINC000852663550 1323222521 /nfs/dbraw/zinc/22/25/21/1323222521.db2.gz NPIKLGLKJFHVOG-KRWDZBQOSA-N 1 2 346.471 3.281 20 30 EGEDLO CC(C)(C)C[N@H+](CC(=O)OC(C)(C)C)C[C@H](O)c1ccc(C#N)cc1 ZINC000852663550 1323222530 /nfs/dbraw/zinc/22/25/30/1323222530.db2.gz NPIKLGLKJFHVOG-KRWDZBQOSA-N 1 2 346.471 3.281 20 30 EGEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2ccc3c(c2)CCCO3)s1 ZINC000853010712 1323260493 /nfs/dbraw/zinc/26/04/93/1323260493.db2.gz KGQGQABABUHSEA-VURMDHGXSA-N 1 2 328.437 3.426 20 30 EGEDLO Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccc(C#N)s2)o1 ZINC001024318548 1323304063 /nfs/dbraw/zinc/30/40/63/1323304063.db2.gz KRAOJJIQQWNJLY-AWEZNQCLSA-N 1 2 343.452 3.306 20 30 EGEDLO Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccc(C#N)s2)o1 ZINC001024318548 1323304066 /nfs/dbraw/zinc/30/40/66/1323304066.db2.gz KRAOJJIQQWNJLY-AWEZNQCLSA-N 1 2 343.452 3.306 20 30 EGEDLO Cc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)co1 ZINC001024402467 1323371313 /nfs/dbraw/zinc/37/13/13/1323371313.db2.gz RALJWGJOSZJCTP-LJQANCHMSA-N 1 2 337.423 3.244 20 30 EGEDLO Cc1cc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)co1 ZINC001024402467 1323371321 /nfs/dbraw/zinc/37/13/21/1323371321.db2.gz RALJWGJOSZJCTP-LJQANCHMSA-N 1 2 337.423 3.244 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1c[nH]nc1-c1ccoc1 ZINC001024570720 1323508386 /nfs/dbraw/zinc/50/83/86/1323508386.db2.gz NQWCWPUIWPIAFZ-AWEZNQCLSA-N 1 2 348.834 3.007 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1c[nH]nc1-c1ccoc1 ZINC001024570720 1323508387 /nfs/dbraw/zinc/50/83/87/1323508387.db2.gz NQWCWPUIWPIAFZ-AWEZNQCLSA-N 1 2 348.834 3.007 20 30 EGEDLO C[C@H]1C[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1Cl ZINC001024605948 1323534688 /nfs/dbraw/zinc/53/46/88/1323534688.db2.gz GCURPXFZWYVXRT-JQHSSLGASA-N 1 2 344.886 3.318 20 30 EGEDLO C[C@H]1C[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC001024605948 1323534690 /nfs/dbraw/zinc/53/46/90/1323534690.db2.gz GCURPXFZWYVXRT-JQHSSLGASA-N 1 2 344.886 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC001024671302 1323582668 /nfs/dbraw/zinc/58/26/68/1323582668.db2.gz DBTGEICEFYABGH-GFCCVEGCSA-N 1 2 346.780 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC001024671302 1323582673 /nfs/dbraw/zinc/58/26/73/1323582673.db2.gz DBTGEICEFYABGH-GFCCVEGCSA-N 1 2 346.780 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cncc(Cl)c1 ZINC001024712439 1323619939 /nfs/dbraw/zinc/61/99/39/1323619939.db2.gz XWUUJWSMNGJZKI-CQSZACIVSA-N 1 2 328.243 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cncc(Cl)c1 ZINC001024712439 1323619943 /nfs/dbraw/zinc/61/99/43/1323619943.db2.gz XWUUJWSMNGJZKI-CQSZACIVSA-N 1 2 328.243 3.072 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCOc2ccccc21 ZINC001024712402 1323621257 /nfs/dbraw/zinc/62/12/57/1323621257.db2.gz WXMKQPQXNZMUMA-DOTOQJQBSA-N 1 2 348.874 3.276 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCOc2ccccc21 ZINC001024712402 1323621260 /nfs/dbraw/zinc/62/12/60/1323621260.db2.gz WXMKQPQXNZMUMA-DOTOQJQBSA-N 1 2 348.874 3.276 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001024781730 1323685193 /nfs/dbraw/zinc/68/51/93/1323685193.db2.gz CJDFDFSLDQEDEE-MRXNPFEDSA-N 1 2 333.863 3.296 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001024781730 1323685198 /nfs/dbraw/zinc/68/51/98/1323685198.db2.gz CJDFDFSLDQEDEE-MRXNPFEDSA-N 1 2 333.863 3.296 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(=O)C(C)(C)C ZINC001025213526 1324002243 /nfs/dbraw/zinc/00/22/43/1324002243.db2.gz MFHPTIYTPPWRQX-GJZGRUSLSA-N 1 2 340.895 3.200 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(=O)C(C)(C)C ZINC001025213526 1324002245 /nfs/dbraw/zinc/00/22/45/1324002245.db2.gz MFHPTIYTPPWRQX-GJZGRUSLSA-N 1 2 340.895 3.200 20 30 EGEDLO N#CCc1cccc(NC(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000931687651 1329164836 /nfs/dbraw/zinc/16/48/36/1329164836.db2.gz CEEQAQSTMZAZML-UHFFFAOYSA-N 1 2 335.411 3.256 20 30 EGEDLO N#Cc1ccc(F)c(NC(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000931711822 1329169016 /nfs/dbraw/zinc/16/90/16/1329169016.db2.gz KSUKKGIOCPWBQM-UHFFFAOYSA-N 1 2 339.374 3.201 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](O)COc1cccc(C)c1 ZINC000853230155 1325068038 /nfs/dbraw/zinc/06/80/38/1325068038.db2.gz AWIHHEYGGBVJQK-QGZVFWFLSA-N 1 2 340.423 3.034 20 30 EGEDLO OC1CCN(c2ccc(C=[NH+]Nc3ccc(F)cc3F)cc2)CC1 ZINC000853256253 1325072991 /nfs/dbraw/zinc/07/29/91/1325072991.db2.gz OCRSHXFRGBCDJL-UHFFFAOYSA-N 1 2 331.366 3.372 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001027278352 1325399637 /nfs/dbraw/zinc/39/96/37/1325399637.db2.gz ZHCLHSAALZRQQT-OAHLLOKOSA-N 1 2 337.261 3.132 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001027278352 1325399646 /nfs/dbraw/zinc/39/96/46/1325399646.db2.gz ZHCLHSAALZRQQT-OAHLLOKOSA-N 1 2 337.261 3.132 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)CC[C@@H]2C)o1 ZINC000964901624 1327758769 /nfs/dbraw/zinc/75/87/69/1327758769.db2.gz GLCZBXLGVMDIGM-BLLLJJGKSA-N 1 2 343.452 3.162 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)CC[C@@H]2C)o1 ZINC000964901624 1327758777 /nfs/dbraw/zinc/75/87/77/1327758777.db2.gz GLCZBXLGVMDIGM-BLLLJJGKSA-N 1 2 343.452 3.162 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([N@H+](C)Cc2noc3c2CCCC3)C1 ZINC001027521266 1327794099 /nfs/dbraw/zinc/79/40/99/1327794099.db2.gz AXMCYCVNVVRDOJ-HNNXBMFYSA-N 1 2 345.487 3.188 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2noc3c2CCCC3)C1 ZINC001027521266 1327794106 /nfs/dbraw/zinc/79/41/06/1327794106.db2.gz AXMCYCVNVVRDOJ-HNNXBMFYSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@@H+](C)[C@H](C)c3nc(C)no3)C2)CC1 ZINC001027555311 1327862419 /nfs/dbraw/zinc/86/24/19/1327862419.db2.gz JCISPGCCGBYQCI-PBHICJAKSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@H+](C)[C@H](C)c3nc(C)no3)C2)CC1 ZINC001027555311 1327862423 /nfs/dbraw/zinc/86/24/23/1327862423.db2.gz JCISPGCCGBYQCI-PBHICJAKSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)[C@H](C)c3ncccn3)C2)CC1 ZINC001027559340 1327870751 /nfs/dbraw/zinc/87/07/51/1327870751.db2.gz VLQNGTWDSIGQCL-SJLPKXTDSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@H+](C)[C@H](C)c3ncccn3)C2)CC1 ZINC001027559340 1327870758 /nfs/dbraw/zinc/87/07/58/1327870758.db2.gz VLQNGTWDSIGQCL-SJLPKXTDSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)C[C@H](C)C2CC2)C1 ZINC001027695984 1328104186 /nfs/dbraw/zinc/10/41/86/1328104186.db2.gz KPIKWNHTKHVRHY-WFASDCNBSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)C[C@H](C)C2CC2)C1 ZINC001027695984 1328104191 /nfs/dbraw/zinc/10/41/91/1328104191.db2.gz KPIKWNHTKHVRHY-WFASDCNBSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2c(F)cccc2OC)C1 ZINC000966325205 1328273068 /nfs/dbraw/zinc/27/30/68/1328273068.db2.gz MSIQKUHTMUYUHJ-FZMZJTMJSA-N 1 2 340.826 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2c(F)cccc2OC)C1 ZINC000966325205 1328273073 /nfs/dbraw/zinc/27/30/73/1328273073.db2.gz MSIQKUHTMUYUHJ-FZMZJTMJSA-N 1 2 340.826 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)c(OC)c(C)c1 ZINC001027898715 1328365500 /nfs/dbraw/zinc/36/55/00/1328365500.db2.gz MXEXFFGJYROWCH-INIZCTEOSA-N 1 2 336.863 3.259 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)c(OC)c(C)c1 ZINC001027898715 1328365503 /nfs/dbraw/zinc/36/55/03/1328365503.db2.gz MXEXFFGJYROWCH-INIZCTEOSA-N 1 2 336.863 3.259 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ocnc1-c1ccccc1 ZINC001027926357 1328404180 /nfs/dbraw/zinc/40/41/80/1328404180.db2.gz QSTRNGRABKJVRB-OAHLLOKOSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ocnc1-c1ccccc1 ZINC001027926357 1328404183 /nfs/dbraw/zinc/40/41/83/1328404183.db2.gz QSTRNGRABKJVRB-OAHLLOKOSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc2ccc(C)cc2[nH]1 ZINC001028054621 1328521074 /nfs/dbraw/zinc/52/10/74/1328521074.db2.gz ZXVXVCDOPGFLOH-OAHLLOKOSA-N 1 2 331.847 3.423 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2ccc(C)cc2[nH]1 ZINC001028054621 1328521078 /nfs/dbraw/zinc/52/10/78/1328521078.db2.gz ZXVXVCDOPGFLOH-OAHLLOKOSA-N 1 2 331.847 3.423 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[NH2+][C@@H](c3ccncc3)C3CC3)o2)cc1 ZINC000934693678 1330000337 /nfs/dbraw/zinc/00/03/37/1330000337.db2.gz UTWPPKYFHOXDFI-GOSISDBHSA-N 1 2 331.379 3.244 20 30 EGEDLO C=C(C)c1cccc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c1 ZINC000934883779 1330014744 /nfs/dbraw/zinc/01/47/44/1330014744.db2.gz ZUDUDGHDIYTRLD-CRAIPNDOSA-N 1 2 329.444 3.047 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cscn3)C[C@@H]2C)CC1 ZINC000942600593 1331997917 /nfs/dbraw/zinc/99/79/17/1331997917.db2.gz RTQWHRLLHNZZDW-YOEHRIQHSA-N 1 2 333.501 3.216 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cscn3)C[C@@H]2C)CC1 ZINC000942600593 1331997921 /nfs/dbraw/zinc/99/79/21/1331997921.db2.gz RTQWHRLLHNZZDW-YOEHRIQHSA-N 1 2 333.501 3.216 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C(C)C)o3)C[C@@H]2C)C1 ZINC000942607704 1332003718 /nfs/dbraw/zinc/00/37/18/1332003718.db2.gz JQLHELAGPIJNEE-HOTGVXAUSA-N 1 2 345.487 3.481 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C(C)C)o3)C[C@@H]2C)C1 ZINC000942607704 1332003719 /nfs/dbraw/zinc/00/37/19/1332003719.db2.gz JQLHELAGPIJNEE-HOTGVXAUSA-N 1 2 345.487 3.481 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3coc(C4CC4)n3)C[C@H]2C)C1 ZINC000942608709 1332004415 /nfs/dbraw/zinc/00/44/15/1332004415.db2.gz YZIDJUYCSDDMPG-PBHICJAKSA-N 1 2 343.471 3.235 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3coc(C4CC4)n3)C[C@H]2C)C1 ZINC000942608709 1332004418 /nfs/dbraw/zinc/00/44/18/1332004418.db2.gz YZIDJUYCSDDMPG-PBHICJAKSA-N 1 2 343.471 3.235 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCCN(c3nc(C)[nH+]c(C)c3C)C2)C1 ZINC001063227730 1351764639 /nfs/dbraw/zinc/76/46/39/1351764639.db2.gz BITLFNBFJMEDCO-KRWDZBQOSA-N 1 2 342.487 3.233 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C2CC3(CC3)C2)C[C@@H]1C ZINC000947702617 1333232538 /nfs/dbraw/zinc/23/25/38/1333232538.db2.gz QIZGCXWMLHDDAM-GXTWGEPZSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C2CC3(CC3)C2)C[C@@H]1C ZINC000947702617 1333232541 /nfs/dbraw/zinc/23/25/41/1333232541.db2.gz QIZGCXWMLHDDAM-GXTWGEPZSA-N 1 2 341.293 3.054 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1oc(C)cc1C ZINC000948902472 1333726071 /nfs/dbraw/zinc/72/60/71/1333726071.db2.gz QUHMVBKBCRDVRR-IBGZPJMESA-N 1 2 336.435 3.249 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1oc(C)cc1C ZINC000948902472 1333726074 /nfs/dbraw/zinc/72/60/74/1333726074.db2.gz QUHMVBKBCRDVRR-IBGZPJMESA-N 1 2 336.435 3.249 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C)cc(F)c1 ZINC000948960084 1333748193 /nfs/dbraw/zinc/74/81/93/1333748193.db2.gz BESBQTJJRXSFGO-HXUWFJFHSA-N 1 2 336.410 3.097 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C)cc(F)c1 ZINC000948960084 1333748195 /nfs/dbraw/zinc/74/81/95/1333748195.db2.gz BESBQTJJRXSFGO-HXUWFJFHSA-N 1 2 336.410 3.097 20 30 EGEDLO C=C1CCC(C(=O)N2CC[NH+](CCO[C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000950047006 1334000749 /nfs/dbraw/zinc/00/07/49/1334000749.db2.gz OEYPQHBFLOHMPR-AZUAARDMSA-N 1 2 348.531 3.472 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](Cc2ccc(C)c(OC)c2)CC1 ZINC000950051278 1334002914 /nfs/dbraw/zinc/00/29/14/1334002914.db2.gz KJXWFWZZXWBEHX-HXUWFJFHSA-N 1 2 330.472 3.250 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000950051850 1334003514 /nfs/dbraw/zinc/00/35/14/1334003514.db2.gz WWSVWCWPDUOPCD-UKRRQHHQSA-N 1 2 333.303 3.317 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000950051812 1334003557 /nfs/dbraw/zinc/00/35/57/1334003557.db2.gz VVMFURVUFXLPLT-FQEVSTJZSA-N 1 2 336.520 3.472 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[NH+](CCOC3CCCCCC3)CC2)C1 ZINC000950373341 1334053209 /nfs/dbraw/zinc/05/32/09/1334053209.db2.gz SSLCXHHMGKWXQS-UHFFFAOYSA-N 1 2 334.504 3.226 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc3c(c2)C(C)(C)CO3)C1 ZINC000950850576 1334141912 /nfs/dbraw/zinc/14/19/12/1334141912.db2.gz QVUPMPFGJJBJSV-UHFFFAOYSA-N 1 2 328.456 3.079 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2csc(-c3ccco3)n2)C1 ZINC000951558135 1334265779 /nfs/dbraw/zinc/26/57/79/1334265779.db2.gz UGPWJZIEUBJXPJ-UHFFFAOYSA-N 1 2 331.441 3.126 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccccc2O[C@@H](C)CC)C1 ZINC000952378920 1334441084 /nfs/dbraw/zinc/44/10/84/1334441084.db2.gz UDZKAJQXIMWBEY-INIZCTEOSA-N 1 2 328.456 3.034 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2c(C)cc(C)nc2C)C1 ZINC000967414558 1335730619 /nfs/dbraw/zinc/73/06/19/1335730619.db2.gz LBMDRMMRBTUQFV-ZBEGNZNMSA-N 1 2 335.879 3.200 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2c(C)cc(C)nc2C)C1 ZINC000967414558 1335730622 /nfs/dbraw/zinc/73/06/22/1335730622.db2.gz LBMDRMMRBTUQFV-ZBEGNZNMSA-N 1 2 335.879 3.200 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2nccc3ccccc32)C1 ZINC000968076643 1335853744 /nfs/dbraw/zinc/85/37/44/1335853744.db2.gz DOJKQJRETYPZRI-CXAGYDPISA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2nccc3ccccc32)C1 ZINC000968076643 1335853746 /nfs/dbraw/zinc/85/37/46/1335853746.db2.gz DOJKQJRETYPZRI-CXAGYDPISA-N 1 2 343.858 3.428 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3nc(C)oc3C)CC[C@H]2C)CC1 ZINC000968190659 1335868742 /nfs/dbraw/zinc/86/87/42/1335868742.db2.gz LCXILNAXXUEJQM-RDTXWAMCSA-N 1 2 345.487 3.364 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3nc(C)oc3C)CC[C@H]2C)CC1 ZINC000968190659 1335868744 /nfs/dbraw/zinc/86/87/44/1335868744.db2.gz LCXILNAXXUEJQM-RDTXWAMCSA-N 1 2 345.487 3.364 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](Cc3ccncc3Cl)CC[C@H]2C)C1 ZINC000968210688 1335872615 /nfs/dbraw/zinc/87/26/15/1335872615.db2.gz IFNMSXZPDZIZRR-PBHICJAKSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](Cc3ccncc3Cl)CC[C@H]2C)C1 ZINC000968210688 1335872616 /nfs/dbraw/zinc/87/26/16/1335872616.db2.gz IFNMSXZPDZIZRR-PBHICJAKSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC000968332894 1335891915 /nfs/dbraw/zinc/89/19/15/1335891915.db2.gz YYTLGPANESWPCD-WBMJQRKESA-N 1 2 335.879 3.475 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC000968332894 1335891917 /nfs/dbraw/zinc/89/19/17/1335891917.db2.gz YYTLGPANESWPCD-WBMJQRKESA-N 1 2 335.879 3.475 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3scnc3c2)C1 ZINC000968493908 1335940681 /nfs/dbraw/zinc/94/06/81/1335940681.db2.gz ZJRPANYXQYXVLN-NHYWBVRUSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3scnc3c2)C1 ZINC000968493908 1335940684 /nfs/dbraw/zinc/94/06/84/1335940684.db2.gz ZJRPANYXQYXVLN-NHYWBVRUSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3ccncc3c2)C1 ZINC000968505529 1335945707 /nfs/dbraw/zinc/94/57/07/1335945707.db2.gz PGMHPPHMLYYNPC-SCLBCKFNSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3ccncc3c2)C1 ZINC000968505529 1335945709 /nfs/dbraw/zinc/94/57/09/1335945709.db2.gz PGMHPPHMLYYNPC-SCLBCKFNSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc3n(c2)CCCC3)C1 ZINC000968713082 1336020588 /nfs/dbraw/zinc/02/05/88/1336020588.db2.gz JHDDGNMQVSXXOJ-SUMWQHHRSA-N 1 2 335.879 3.017 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc3n(c2)CCCC3)C1 ZINC000968713082 1336020590 /nfs/dbraw/zinc/02/05/90/1336020590.db2.gz JHDDGNMQVSXXOJ-SUMWQHHRSA-N 1 2 335.879 3.017 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1cnc(C)s1 ZINC000968782493 1336048546 /nfs/dbraw/zinc/04/85/46/1336048546.db2.gz XEEYEPDGCXUQPB-ZDUSSCGKSA-N 1 2 327.881 3.178 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1cnc(C)s1 ZINC000968782493 1336048545 /nfs/dbraw/zinc/04/85/45/1336048545.db2.gz XEEYEPDGCXUQPB-ZDUSSCGKSA-N 1 2 327.881 3.178 20 30 EGEDLO C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000968987859 1336110829 /nfs/dbraw/zinc/11/08/29/1336110829.db2.gz NRHRSUSDPWKRHD-JVPBZIDWSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000968987859 1336110836 /nfs/dbraw/zinc/11/08/36/1336110836.db2.gz NRHRSUSDPWKRHD-JVPBZIDWSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H](NC(=O)c1cccs1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969239500 1336184629 /nfs/dbraw/zinc/18/46/29/1336184629.db2.gz BPFAKHDGRLMIIH-LBPRGKRZSA-N 1 2 343.427 3.009 20 30 EGEDLO C[C@H](NC(=O)c1ccc(Cl)o1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969307646 1336197490 /nfs/dbraw/zinc/19/74/90/1336197490.db2.gz IRWFAMIJIIIZMG-LBPRGKRZSA-N 1 2 343.814 3.055 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3nc(CCCC)no3)C2)C1 ZINC000969882858 1336256789 /nfs/dbraw/zinc/25/67/89/1336256789.db2.gz GJXLRUCSTLIQOC-HUUCEWRRSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccnc(-c3ccco3)c2)C1 ZINC000969923267 1336260943 /nfs/dbraw/zinc/26/09/43/1336260943.db2.gz QBQBWEWYUZJOFV-CYBMUJFWSA-N 1 2 345.830 3.144 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC000969960836 1336266780 /nfs/dbraw/zinc/26/67/80/1336266780.db2.gz ICASRXCEOHHTJN-KSSFIOAISA-N 1 2 332.875 3.296 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc3c([nH]2)c(F)ccc3C)C1 ZINC000970004330 1336270975 /nfs/dbraw/zinc/27/09/75/1336270975.db2.gz IJIPOACBICDJLM-GFCCVEGCSA-N 1 2 349.837 3.418 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2coc3cc(F)ccc23)C1 ZINC000970012103 1336271561 /nfs/dbraw/zinc/27/15/61/1336271561.db2.gz KNTIBCOZRYKRIG-LLVKDONJSA-N 1 2 336.794 3.375 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(Cl)cc2F)C1 ZINC000970094521 1336279619 /nfs/dbraw/zinc/27/96/19/1336279619.db2.gz VOGUTNIAVJFTDQ-JTQLQIEISA-N 1 2 331.218 3.282 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(Cl)ccc2F)C1 ZINC000970095238 1336279678 /nfs/dbraw/zinc/27/96/78/1336279678.db2.gz HROUAJCBDFWCRK-SNVBAGLBSA-N 1 2 331.218 3.282 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2nc3ccccc3cc2C)C1 ZINC000970182602 1336288642 /nfs/dbraw/zinc/28/86/42/1336288642.db2.gz REVJFRCCJBGODE-AWEZNQCLSA-N 1 2 343.858 3.346 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(OCC)c(C)c2)C1 ZINC000970518737 1336315654 /nfs/dbraw/zinc/31/56/54/1336315654.db2.gz OKYHPUSWHLEQFZ-AWEZNQCLSA-N 1 2 336.863 3.196 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC000970569487 1336323000 /nfs/dbraw/zinc/32/30/00/1336323000.db2.gz PTIRKBLLGLSFBV-JCGIZDLHSA-N 1 2 332.875 3.288 20 30 EGEDLO C=C1CCC(C(=O)N(C)C2CC[NH+](Cc3cc(C)on3)CC2)CC1 ZINC001005930625 1336423598 /nfs/dbraw/zinc/42/35/98/1336423598.db2.gz QBFYOZAQBZKUMU-UHFFFAOYSA-N 1 2 331.460 3.152 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N(C)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001006022736 1336438824 /nfs/dbraw/zinc/43/88/24/1336438824.db2.gz PJAUWOAQUYSGDH-AUUYWEPGSA-N 1 2 343.446 3.166 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@]2(C)CC)CC1 ZINC001006223598 1336470165 /nfs/dbraw/zinc/47/01/65/1336470165.db2.gz HRMFHKTYACAVKO-GOEBONIOSA-N 1 2 343.309 3.254 20 30 EGEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)C1CCCC1 ZINC001006534030 1336521317 /nfs/dbraw/zinc/52/13/17/1336521317.db2.gz JCVKTCCGGFCCLW-IBGZPJMESA-N 1 2 344.886 3.462 20 30 EGEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)C1CCCC1 ZINC001006534030 1336521318 /nfs/dbraw/zinc/52/13/18/1336521318.db2.gz JCVKTCCGGFCCLW-IBGZPJMESA-N 1 2 344.886 3.462 20 30 EGEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1ccsc1 ZINC001006676188 1336554540 /nfs/dbraw/zinc/55/45/40/1336554540.db2.gz GNXABBZPLNURSW-GOSISDBHSA-N 1 2 342.439 3.133 20 30 EGEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)c1ccsc1 ZINC001006676188 1336554544 /nfs/dbraw/zinc/55/45/44/1336554544.db2.gz GNXABBZPLNURSW-GOSISDBHSA-N 1 2 342.439 3.133 20 30 EGEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)C1CC=CC1 ZINC001006968600 1336617020 /nfs/dbraw/zinc/61/70/20/1336617020.db2.gz JIBZJRCZVNRBKC-LJQANCHMSA-N 1 2 342.870 3.238 20 30 EGEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)C1CC=CC1 ZINC001006968600 1336617022 /nfs/dbraw/zinc/61/70/22/1336617022.db2.gz JIBZJRCZVNRBKC-LJQANCHMSA-N 1 2 342.870 3.238 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@H]1CCC[N@@H+](CC=C(Cl)Cl)C1 ZINC001007501853 1336659333 /nfs/dbraw/zinc/65/93/33/1336659333.db2.gz CNTSKVVUHBYWOK-ZDUSSCGKSA-N 1 2 342.270 3.187 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@H]1CCC[N@H+](CC=C(Cl)Cl)C1 ZINC001007501853 1336659336 /nfs/dbraw/zinc/65/93/36/1336659336.db2.gz CNTSKVVUHBYWOK-ZDUSSCGKSA-N 1 2 342.270 3.187 20 30 EGEDLO CCc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)o1 ZINC001007665850 1336686248 /nfs/dbraw/zinc/68/62/48/1336686248.db2.gz NAXQTIREEJRZTL-ZDUSSCGKSA-N 1 2 343.452 3.170 20 30 EGEDLO CCc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)o1 ZINC001007665850 1336686251 /nfs/dbraw/zinc/68/62/51/1336686251.db2.gz NAXQTIREEJRZTL-ZDUSSCGKSA-N 1 2 343.452 3.170 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC001007819003 1336707153 /nfs/dbraw/zinc/70/71/53/1336707153.db2.gz VPCIRQOSTMJAGQ-KRWDZBQOSA-N 1 2 343.858 3.424 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC001007819003 1336707156 /nfs/dbraw/zinc/70/71/56/1336707156.db2.gz VPCIRQOSTMJAGQ-KRWDZBQOSA-N 1 2 343.858 3.424 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001008200612 1336790964 /nfs/dbraw/zinc/79/09/64/1336790964.db2.gz GASHLTXRGZTQAB-FXAWDEMLSA-N 1 2 337.467 3.385 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001008200612 1336790967 /nfs/dbraw/zinc/79/09/67/1336790967.db2.gz GASHLTXRGZTQAB-FXAWDEMLSA-N 1 2 337.467 3.385 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001008258933 1336806268 /nfs/dbraw/zinc/80/62/68/1336806268.db2.gz UBHHDAUREHHQLG-SJORKVTESA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001008258933 1336806271 /nfs/dbraw/zinc/80/62/71/1336806271.db2.gz UBHHDAUREHHQLG-SJORKVTESA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3n2C)C1 ZINC001008342988 1336827654 /nfs/dbraw/zinc/82/76/54/1336827654.db2.gz ZTQXKPIVZAVCKH-OAHLLOKOSA-N 1 2 331.847 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3n2C)C1 ZINC001008342988 1336827657 /nfs/dbraw/zinc/82/76/57/1336827657.db2.gz ZTQXKPIVZAVCKH-OAHLLOKOSA-N 1 2 331.847 3.125 20 30 EGEDLO CCc1ccoc1C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001008434090 1336852426 /nfs/dbraw/zinc/85/24/26/1336852426.db2.gz PWQMDWQFQKWJSZ-IBGZPJMESA-N 1 2 336.435 3.088 20 30 EGEDLO CCc1ccoc1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001008434090 1336852428 /nfs/dbraw/zinc/85/24/28/1336852428.db2.gz PWQMDWQFQKWJSZ-IBGZPJMESA-N 1 2 336.435 3.088 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC001008659286 1336905728 /nfs/dbraw/zinc/90/57/28/1336905728.db2.gz NJFYHVONNCPIPG-CYBMUJFWSA-N 1 2 345.245 3.355 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC001008659286 1336905731 /nfs/dbraw/zinc/90/57/31/1336905731.db2.gz NJFYHVONNCPIPG-CYBMUJFWSA-N 1 2 345.245 3.355 20 30 EGEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[C@H]1CC12CC2 ZINC001008678001 1336908719 /nfs/dbraw/zinc/90/87/19/1336908719.db2.gz RISMPQKUJYPZOE-QZTJIDSGSA-N 1 2 342.870 3.072 20 30 EGEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[C@H]1CC12CC2 ZINC001008678001 1336908722 /nfs/dbraw/zinc/90/87/22/1336908722.db2.gz RISMPQKUJYPZOE-QZTJIDSGSA-N 1 2 342.870 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC001008825960 1336931387 /nfs/dbraw/zinc/93/13/87/1336931387.db2.gz RQCARLYBGAASCK-RBSFLKMASA-N 1 2 338.904 3.493 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC001008825960 1336931388 /nfs/dbraw/zinc/93/13/88/1336931388.db2.gz RQCARLYBGAASCK-RBSFLKMASA-N 1 2 338.904 3.493 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)cs1 ZINC001008875541 1336936189 /nfs/dbraw/zinc/93/61/89/1336936189.db2.gz MUBXSFQHYZETHT-LJQANCHMSA-N 1 2 338.476 3.302 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)cs1 ZINC001008875541 1336936191 /nfs/dbraw/zinc/93/61/91/1336936191.db2.gz MUBXSFQHYZETHT-LJQANCHMSA-N 1 2 338.476 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001009199880 1336985315 /nfs/dbraw/zinc/98/53/15/1336985315.db2.gz DLCIYBURKGBSKF-KGLIPLIRSA-N 1 2 326.893 3.493 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001009199880 1336985316 /nfs/dbraw/zinc/98/53/16/1336985316.db2.gz DLCIYBURKGBSKF-KGLIPLIRSA-N 1 2 326.893 3.493 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@]2(C)CCOc3ccccc32)C1 ZINC001009228580 1336988540 /nfs/dbraw/zinc/98/85/40/1336988540.db2.gz ZKGAGKFKSXAMDV-DNVCBOLYSA-N 1 2 348.874 3.060 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@]2(C)CCOc3ccccc32)C1 ZINC001009228580 1336988541 /nfs/dbraw/zinc/98/85/41/1336988541.db2.gz ZKGAGKFKSXAMDV-DNVCBOLYSA-N 1 2 348.874 3.060 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001009375433 1337012345 /nfs/dbraw/zinc/01/23/45/1337012345.db2.gz FJYVGWRVVXMGBP-HOCLYGCPSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001009375433 1337012349 /nfs/dbraw/zinc/01/23/49/1337012349.db2.gz FJYVGWRVVXMGBP-HOCLYGCPSA-N 1 2 339.266 3.313 20 30 EGEDLO Cc1ccsc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001009901750 1337105546 /nfs/dbraw/zinc/10/55/46/1337105546.db2.gz ABFVODJXVFIRPO-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1ccsc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001009901750 1337105549 /nfs/dbraw/zinc/10/55/49/1337105549.db2.gz ABFVODJXVFIRPO-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)c1 ZINC001010019126 1337143494 /nfs/dbraw/zinc/14/34/94/1337143494.db2.gz VGQUQFFZYHGFDK-SFHVURJKSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)c1 ZINC001010019126 1337143496 /nfs/dbraw/zinc/14/34/96/1337143496.db2.gz VGQUQFFZYHGFDK-SFHVURJKSA-N 1 2 337.398 3.010 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(F)=C3CCCC3)C2)cc1F ZINC001010569537 1337225138 /nfs/dbraw/zinc/22/51/38/1337225138.db2.gz ZZQDSXHNPDOQRU-INIZCTEOSA-N 1 2 345.393 3.185 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(F)=C3CCCC3)C2)cc1F ZINC001010569537 1337225139 /nfs/dbraw/zinc/22/51/39/1337225139.db2.gz ZZQDSXHNPDOQRU-INIZCTEOSA-N 1 2 345.393 3.185 20 30 EGEDLO Cc1sccc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001014359216 1337751717 /nfs/dbraw/zinc/75/17/17/1337751717.db2.gz FQFVFYMKOYBKJL-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1sccc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001014359216 1337751720 /nfs/dbraw/zinc/75/17/20/1337751720.db2.gz FQFVFYMKOYBKJL-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1scc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)c1C ZINC001014564695 1337826766 /nfs/dbraw/zinc/82/67/66/1337826766.db2.gz RBPBFRPQJCMJFA-SFHVURJKSA-N 1 2 338.476 3.221 20 30 EGEDLO Cc1scc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c1C ZINC001014564695 1337826768 /nfs/dbraw/zinc/82/67/68/1337826768.db2.gz RBPBFRPQJCMJFA-SFHVURJKSA-N 1 2 338.476 3.221 20 30 EGEDLO CC(C)c1ccc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)cn1 ZINC001014714807 1337879170 /nfs/dbraw/zinc/87/91/70/1337879170.db2.gz UZLVWZJKVMIAMX-HXUWFJFHSA-N 1 2 347.462 3.061 20 30 EGEDLO CC(C)c1ccc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)cn1 ZINC001014714807 1337879173 /nfs/dbraw/zinc/87/91/73/1337879173.db2.gz UZLVWZJKVMIAMX-HXUWFJFHSA-N 1 2 347.462 3.061 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC001014792439 1337911418 /nfs/dbraw/zinc/91/14/18/1337911418.db2.gz ILZGRZZBPFZTPT-YNEHKIRRSA-N 1 2 338.801 3.298 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC001014792439 1337911421 /nfs/dbraw/zinc/91/14/21/1337911421.db2.gz ILZGRZZBPFZTPT-YNEHKIRRSA-N 1 2 338.801 3.298 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[C@H]3C=CCCC3)C2)c(F)c1 ZINC001014908885 1337946863 /nfs/dbraw/zinc/94/68/63/1337946863.db2.gz KMULJGJPUCVGJO-MAUKXSAKSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C[C@H]3C=CCCC3)C2)c(F)c1 ZINC001014908885 1337946867 /nfs/dbraw/zinc/94/68/67/1337946867.db2.gz KMULJGJPUCVGJO-MAUKXSAKSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001014912824 1337948371 /nfs/dbraw/zinc/94/83/71/1337948371.db2.gz ASGHWJGJNYBXEF-YLJYHZDGSA-N 1 2 337.467 3.385 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001014912824 1337948374 /nfs/dbraw/zinc/94/83/74/1337948374.db2.gz ASGHWJGJNYBXEF-YLJYHZDGSA-N 1 2 337.467 3.385 20 30 EGEDLO CC(C)(C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)C1CCC1 ZINC001015401141 1338127262 /nfs/dbraw/zinc/12/72/62/1338127262.db2.gz BFCNNDLMNGRSAW-LJQANCHMSA-N 1 2 342.458 3.194 20 30 EGEDLO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)C1CCC1 ZINC001015401141 1338127264 /nfs/dbraw/zinc/12/72/64/1338127264.db2.gz BFCNNDLMNGRSAW-LJQANCHMSA-N 1 2 342.458 3.194 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc3c(cc(C)cc3C)[nH]2)C1 ZINC001015414769 1338131383 /nfs/dbraw/zinc/13/13/83/1338131383.db2.gz NKKSFJFQJITFRC-CQSZACIVSA-N 1 2 331.847 3.341 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc3c(cc(C)cc3C)[nH]2)C1 ZINC001015414769 1338131385 /nfs/dbraw/zinc/13/13/85/1338131385.db2.gz NKKSFJFQJITFRC-CQSZACIVSA-N 1 2 331.847 3.341 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2OC2CCC2)C1 ZINC001015678720 1338254899 /nfs/dbraw/zinc/25/48/99/1338254899.db2.gz LNJMOJVRVRZNPE-AWEZNQCLSA-N 1 2 334.847 3.175 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccc2OC2CCC2)C1 ZINC001015678720 1338254900 /nfs/dbraw/zinc/25/49/00/1338254900.db2.gz LNJMOJVRVRZNPE-AWEZNQCLSA-N 1 2 334.847 3.175 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(c3ccccc3)CCCC2)C1 ZINC001016185673 1338495691 /nfs/dbraw/zinc/49/56/91/1338495691.db2.gz VCQBLZSQSCPKEA-QGZVFWFLSA-N 1 2 332.875 3.441 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(c3ccccc3)CCCC2)C1 ZINC001016185673 1338495694 /nfs/dbraw/zinc/49/56/94/1338495694.db2.gz VCQBLZSQSCPKEA-QGZVFWFLSA-N 1 2 332.875 3.441 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2c(C)oc3ccccc32)C1 ZINC001016432365 1338599181 /nfs/dbraw/zinc/59/91/81/1338599181.db2.gz FJRPTJZQJMDBCS-AWEZNQCLSA-N 1 2 332.831 3.227 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2c(C)oc3ccccc32)C1 ZINC001016432365 1338599184 /nfs/dbraw/zinc/59/91/84/1338599184.db2.gz FJRPTJZQJMDBCS-AWEZNQCLSA-N 1 2 332.831 3.227 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)c1 ZINC001017309106 1339325646 /nfs/dbraw/zinc/32/56/46/1339325646.db2.gz BQQBAGVKHREPCL-BGYRXZFFSA-N 1 2 331.419 3.047 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)c1 ZINC001017309106 1339325649 /nfs/dbraw/zinc/32/56/49/1339325649.db2.gz BQQBAGVKHREPCL-BGYRXZFFSA-N 1 2 331.419 3.047 20 30 EGEDLO C[C@@H](c1cccc(Cl)c1)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001017535645 1339363523 /nfs/dbraw/zinc/36/35/23/1339363523.db2.gz MMUKXODSKDNZNJ-ZOCIIQOWSA-N 1 2 342.870 3.490 20 30 EGEDLO C[C@@H](c1cccc(Cl)c1)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001017535645 1339363527 /nfs/dbraw/zinc/36/35/27/1339363527.db2.gz MMUKXODSKDNZNJ-ZOCIIQOWSA-N 1 2 342.870 3.490 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 ZINC001018041138 1339489071 /nfs/dbraw/zinc/48/90/71/1339489071.db2.gz LICAKSDFLVTOLZ-JSXRDJHFSA-N 1 2 336.479 3.105 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 ZINC001018041138 1339489073 /nfs/dbraw/zinc/48/90/73/1339489073.db2.gz LICAKSDFLVTOLZ-JSXRDJHFSA-N 1 2 336.479 3.105 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1c(F)ccc(F)c1F ZINC001028104663 1340428119 /nfs/dbraw/zinc/42/81/19/1340428119.db2.gz DXHRTZLFFOQXDW-SNVBAGLBSA-N 1 2 332.753 3.051 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c(F)ccc(F)c1F ZINC001028104663 1340428120 /nfs/dbraw/zinc/42/81/20/1340428120.db2.gz DXHRTZLFFOQXDW-SNVBAGLBSA-N 1 2 332.753 3.051 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001028147231 1340452176 /nfs/dbraw/zinc/45/21/76/1340452176.db2.gz RDLVMMPCIOCAFO-RBSFLKMASA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001028147231 1340452180 /nfs/dbraw/zinc/45/21/80/1340452180.db2.gz RDLVMMPCIOCAFO-RBSFLKMASA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(F)ccc1Cl ZINC001028160564 1340459746 /nfs/dbraw/zinc/45/97/46/1340459746.db2.gz XFDRUTYYHOADFE-LBPRGKRZSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(F)ccc1Cl ZINC001028160564 1340459747 /nfs/dbraw/zinc/45/97/47/1340459747.db2.gz XFDRUTYYHOADFE-LBPRGKRZSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2scnc2c1 ZINC001028236422 1340498567 /nfs/dbraw/zinc/49/85/67/1340498567.db2.gz LNGYTJVLOJYBSA-ZDUSSCGKSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2scnc2c1 ZINC001028236422 1340498569 /nfs/dbraw/zinc/49/85/69/1340498569.db2.gz LNGYTJVLOJYBSA-ZDUSSCGKSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1coc(-c2ccccc2)n1 ZINC001028268372 1340522749 /nfs/dbraw/zinc/52/27/49/1340522749.db2.gz UHBFAJIHYGFKLE-OAHLLOKOSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1coc(-c2ccccc2)n1 ZINC001028268372 1340522751 /nfs/dbraw/zinc/52/27/51/1340522751.db2.gz UHBFAJIHYGFKLE-OAHLLOKOSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1c(F)cccc1Cl ZINC001028281553 1340535622 /nfs/dbraw/zinc/53/56/22/1340535622.db2.gz LJWAGXHVIUVOMU-LLVKDONJSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c(F)cccc1Cl ZINC001028281553 1340535623 /nfs/dbraw/zinc/53/56/23/1340535623.db2.gz LJWAGXHVIUVOMU-LLVKDONJSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1[nH]c2ccccc2c1OC ZINC001028342482 1340582448 /nfs/dbraw/zinc/58/24/48/1340582448.db2.gz JEOBSAIKUNPYCI-ZDUSSCGKSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]c2ccccc2c1OC ZINC001028342482 1340582451 /nfs/dbraw/zinc/58/24/51/1340582451.db2.gz JEOBSAIKUNPYCI-ZDUSSCGKSA-N 1 2 347.846 3.123 20 30 EGEDLO CC[C@@]1(C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029534724 1341007001 /nfs/dbraw/zinc/00/70/01/1341007001.db2.gz PELSAKVTIZDZIQ-DYQZNNLLSA-N 1 2 336.479 3.150 20 30 EGEDLO CC[C@@]1(C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029534724 1341007002 /nfs/dbraw/zinc/00/70/02/1341007002.db2.gz PELSAKVTIZDZIQ-DYQZNNLLSA-N 1 2 336.479 3.150 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H](C[N@@H+](C)[C@H](C)c3csnn3)C2)CC1 ZINC001029826757 1341087978 /nfs/dbraw/zinc/08/79/78/1341087978.db2.gz VISGFMOIRSQSBC-HUUCEWRRSA-N 1 2 348.516 3.126 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H](C[N@H+](C)[C@H](C)c3csnn3)C2)CC1 ZINC001029826757 1341087979 /nfs/dbraw/zinc/08/79/79/1341087979.db2.gz VISGFMOIRSQSBC-HUUCEWRRSA-N 1 2 348.516 3.126 20 30 EGEDLO C#Cc1ccc(C(=O)NC2C[NH+]([C@H]3CCCc4ccc(F)cc43)C2)cc1 ZINC001030776705 1341224194 /nfs/dbraw/zinc/22/41/94/1341224194.db2.gz VQNWKQMAQLUQHN-NRFANRHFSA-N 1 2 348.421 3.299 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)NCC2C[NH+](CC#Cc3cccc(Cl)c3)C2)C1 ZINC001032027242 1341441802 /nfs/dbraw/zinc/44/18/02/1341441802.db2.gz NZDSOSUPFFCEMK-YJBOKZPZSA-N 1 2 344.886 3.176 20 30 EGEDLO Cc1ccsc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032250560 1341480450 /nfs/dbraw/zinc/48/04/50/1341480450.db2.gz BIVOAFRIULNXGL-IRXDYDNUSA-N 1 2 337.448 3.027 20 30 EGEDLO Cc1ccsc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032250560 1341480451 /nfs/dbraw/zinc/48/04/51/1341480451.db2.gz BIVOAFRIULNXGL-IRXDYDNUSA-N 1 2 337.448 3.027 20 30 EGEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2C=CCCC2)s1 ZINC001032470873 1341515985 /nfs/dbraw/zinc/51/59/85/1341515985.db2.gz ILNWWVZBPAQSKJ-PMPSAXMXSA-N 1 2 341.480 3.151 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2C=CCCC2)s1 ZINC001032470873 1341515987 /nfs/dbraw/zinc/51/59/87/1341515987.db2.gz ILNWWVZBPAQSKJ-PMPSAXMXSA-N 1 2 341.480 3.151 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](F)c2ccccc2)c1 ZINC001032653564 1341571114 /nfs/dbraw/zinc/57/11/14/1341571114.db2.gz YGFVETUHIHPUIL-SLFFLAALSA-N 1 2 349.409 3.054 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](F)c2ccccc2)c1 ZINC001032653564 1341571115 /nfs/dbraw/zinc/57/11/15/1341571115.db2.gz YGFVETUHIHPUIL-SLFFLAALSA-N 1 2 349.409 3.054 20 30 EGEDLO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sc(C(C)(C)C)nc1C ZINC001032817595 1341625691 /nfs/dbraw/zinc/62/56/91/1341625691.db2.gz OZDXKPCOCGYNIP-KBPBESRZSA-N 1 2 333.501 3.224 20 30 EGEDLO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sc(C(C)(C)C)nc1C ZINC001032817595 1341625694 /nfs/dbraw/zinc/62/56/94/1341625694.db2.gz OZDXKPCOCGYNIP-KBPBESRZSA-N 1 2 333.501 3.224 20 30 EGEDLO Cc1ccsc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001032867786 1341640713 /nfs/dbraw/zinc/64/07/13/1341640713.db2.gz VURQBAODJIQBBP-KRWDZBQOSA-N 1 2 339.464 3.275 20 30 EGEDLO Cc1ccsc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001032867786 1341640714 /nfs/dbraw/zinc/64/07/14/1341640714.db2.gz VURQBAODJIQBBP-KRWDZBQOSA-N 1 2 339.464 3.275 20 30 EGEDLO CN(C(=O)c1cccs1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032876534 1341646967 /nfs/dbraw/zinc/64/69/67/1341646967.db2.gz OSRCAJXMFKMBAD-OAHLLOKOSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C(=O)c1cccs1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032876534 1341646969 /nfs/dbraw/zinc/64/69/69/1341646969.db2.gz OSRCAJXMFKMBAD-OAHLLOKOSA-N 1 2 343.427 3.105 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(F)cc3ccncc32)C1 ZINC001033089392 1341719630 /nfs/dbraw/zinc/71/96/30/1341719630.db2.gz BWBQUBGRCNCDRV-HNNXBMFYSA-N 1 2 347.821 3.273 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(F)cc3ccncc32)C1 ZINC001033089392 1341719632 /nfs/dbraw/zinc/71/96/32/1341719632.db2.gz BWBQUBGRCNCDRV-HNNXBMFYSA-N 1 2 347.821 3.273 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2ccc(C)cc2Cl)C1 ZINC001033203051 1341751827 /nfs/dbraw/zinc/75/18/27/1341751827.db2.gz JLCIEQCWSBPYQK-HNNXBMFYSA-N 1 2 341.282 3.476 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc(C)cc2Cl)C1 ZINC001033203051 1341751828 /nfs/dbraw/zinc/75/18/28/1341751828.db2.gz JLCIEQCWSBPYQK-HNNXBMFYSA-N 1 2 341.282 3.476 20 30 EGEDLO C=CCOc1ccccc1C(=O)N(C)[C@H]1CC[N@H+](CC(=C)Cl)C1 ZINC001033205675 1341752045 /nfs/dbraw/zinc/75/20/45/1341752045.db2.gz ZOLLGCNKDIMIPP-HNNXBMFYSA-N 1 2 334.847 3.150 20 30 EGEDLO C=CCOc1ccccc1C(=O)N(C)[C@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001033205675 1341752046 /nfs/dbraw/zinc/75/20/46/1341752046.db2.gz ZOLLGCNKDIMIPP-HNNXBMFYSA-N 1 2 334.847 3.150 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCOc3ccccc32)C1 ZINC001033334510 1341785897 /nfs/dbraw/zinc/78/58/97/1341785897.db2.gz WRXJGNHLNWFOKS-HZPDHXFCSA-N 1 2 348.874 3.228 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCOc3ccccc32)C1 ZINC001033334510 1341785898 /nfs/dbraw/zinc/78/58/98/1341785898.db2.gz WRXJGNHLNWFOKS-HZPDHXFCSA-N 1 2 348.874 3.228 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001033460775 1341834222 /nfs/dbraw/zinc/83/42/22/1341834222.db2.gz UDMNMRDOSBCRRE-MSOLQXFVSA-N 1 2 332.875 3.077 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001033460775 1341834223 /nfs/dbraw/zinc/83/42/23/1341834223.db2.gz UDMNMRDOSBCRRE-MSOLQXFVSA-N 1 2 332.875 3.077 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2(c3cccc(F)c3)CC2)C1 ZINC001033466438 1341836845 /nfs/dbraw/zinc/83/68/45/1341836845.db2.gz DYIYVLWSIJWMIF-INIZCTEOSA-N 1 2 336.838 3.143 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2(c3cccc(F)c3)CC2)C1 ZINC001033466438 1341836848 /nfs/dbraw/zinc/83/68/48/1341836848.db2.gz DYIYVLWSIJWMIF-INIZCTEOSA-N 1 2 336.838 3.143 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2(c3ccccc3F)CC2)C1 ZINC001033548810 1341866932 /nfs/dbraw/zinc/86/69/32/1341866932.db2.gz XYHJLIJAARUQSP-AWEZNQCLSA-N 1 2 336.838 3.143 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2(c3ccccc3F)CC2)C1 ZINC001033548810 1341866935 /nfs/dbraw/zinc/86/69/35/1341866935.db2.gz XYHJLIJAARUQSP-AWEZNQCLSA-N 1 2 336.838 3.143 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc3c(C)cccn3c2)C1 ZINC001033584583 1341883757 /nfs/dbraw/zinc/88/37/57/1341883757.db2.gz YJSFAWRNGYQUTI-MRXNPFEDSA-N 1 2 331.847 3.147 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c(C)cccn3c2)C1 ZINC001033584583 1341883760 /nfs/dbraw/zinc/88/37/60/1341883760.db2.gz YJSFAWRNGYQUTI-MRXNPFEDSA-N 1 2 331.847 3.147 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(OC(C)C)cc2)C1 ZINC001033634271 1341916167 /nfs/dbraw/zinc/91/61/67/1341916167.db2.gz KUUKJOWYJNJHNI-INIZCTEOSA-N 1 2 336.863 3.373 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(OC(C)C)cc2)C1 ZINC001033634271 1341916172 /nfs/dbraw/zinc/91/61/72/1341916172.db2.gz KUUKJOWYJNJHNI-INIZCTEOSA-N 1 2 336.863 3.373 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)cn2CC)C1 ZINC001033666274 1341935704 /nfs/dbraw/zinc/93/57/04/1341935704.db2.gz AUEDUPITPNYQIL-CYBMUJFWSA-N 1 2 330.259 3.060 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)cn2CC)C1 ZINC001033666274 1341935707 /nfs/dbraw/zinc/93/57/07/1341935707.db2.gz AUEDUPITPNYQIL-CYBMUJFWSA-N 1 2 330.259 3.060 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C)c3c2CCC3)C1 ZINC001033691956 1341955347 /nfs/dbraw/zinc/95/53/47/1341955347.db2.gz DQSARVFSIHAAFP-HNNXBMFYSA-N 1 2 332.875 3.383 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C)c3c2CCC3)C1 ZINC001033691956 1341955349 /nfs/dbraw/zinc/95/53/49/1341955349.db2.gz DQSARVFSIHAAFP-HNNXBMFYSA-N 1 2 332.875 3.383 20 30 EGEDLO CCN(C(=O)c1ccco1)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033724086 1341977175 /nfs/dbraw/zinc/97/71/75/1341977175.db2.gz AHQHFYFFGLGAJU-GOSISDBHSA-N 1 2 340.398 3.007 20 30 EGEDLO CCN(C(=O)c1ccco1)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033724086 1341977177 /nfs/dbraw/zinc/97/71/77/1341977177.db2.gz AHQHFYFFGLGAJU-GOSISDBHSA-N 1 2 340.398 3.007 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc3cnccc3o2)C1 ZINC001033885954 1342058772 /nfs/dbraw/zinc/05/87/72/1342058772.db2.gz QKAODXYTMHJOMU-AWEZNQCLSA-N 1 2 333.819 3.117 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc3cnccc3o2)C1 ZINC001033885954 1342058775 /nfs/dbraw/zinc/05/87/75/1342058775.db2.gz QKAODXYTMHJOMU-AWEZNQCLSA-N 1 2 333.819 3.117 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2Cc3ccc(F)cc32)C1 ZINC001033935510 1342098934 /nfs/dbraw/zinc/09/89/34/1342098934.db2.gz GHMVZWIRLWVURC-DOTOQJQBSA-N 1 2 336.838 3.141 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2Cc3ccc(F)cc32)C1 ZINC001033935510 1342098938 /nfs/dbraw/zinc/09/89/38/1342098938.db2.gz GHMVZWIRLWVURC-DOTOQJQBSA-N 1 2 336.838 3.141 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033959488 1342113434 /nfs/dbraw/zinc/11/34/34/1342113434.db2.gz CVQTWTXBZWQARY-MDASCCDHSA-N 1 2 343.446 3.166 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033959488 1342113436 /nfs/dbraw/zinc/11/34/36/1342113436.db2.gz CVQTWTXBZWQARY-MDASCCDHSA-N 1 2 343.446 3.166 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CCCCC3)[C@@H]2C1 ZINC001075502963 1356412914 /nfs/dbraw/zinc/41/29/14/1356412914.db2.gz RHBZIXSIDCAWCG-LSDHHAIUSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)C3CCCCC3)[C@@H]2C1 ZINC001075502963 1356412915 /nfs/dbraw/zinc/41/29/15/1356412915.db2.gz RHBZIXSIDCAWCG-LSDHHAIUSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ncccc2Cl)C1 ZINC001034020791 1342158309 /nfs/dbraw/zinc/15/83/09/1342158309.db2.gz NHQVZBJPNTXNGP-GFCCVEGCSA-N 1 2 328.243 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ncccc2Cl)C1 ZINC001034020791 1342158313 /nfs/dbraw/zinc/15/83/13/1342158313.db2.gz NHQVZBJPNTXNGP-GFCCVEGCSA-N 1 2 328.243 3.024 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(N(C)C)cc2)C1 ZINC001034030655 1342169458 /nfs/dbraw/zinc/16/94/58/1342169458.db2.gz YMGMVQAGOBCWFP-QGZVFWFLSA-N 1 2 335.879 3.042 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(N(C)C)cc2)C1 ZINC001034030655 1342169460 /nfs/dbraw/zinc/16/94/60/1342169460.db2.gz YMGMVQAGOBCWFP-QGZVFWFLSA-N 1 2 335.879 3.042 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)C2CCCC2)C1 ZINC001034065347 1342204316 /nfs/dbraw/zinc/20/43/16/1342204316.db2.gz PKRYEMPGFNCWIH-CQSZACIVSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)C2CCCC2)C1 ZINC001034065347 1342204317 /nfs/dbraw/zinc/20/43/17/1342204317.db2.gz PKRYEMPGFNCWIH-CQSZACIVSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@@H+]([C@H](C)c3nc(C)no3)C2)CC1 ZINC001034383134 1342451324 /nfs/dbraw/zinc/45/13/24/1342451324.db2.gz WFQMRGUAOPJFSD-PBHICJAKSA-N 1 2 346.475 3.156 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@H+]([C@H](C)c3nc(C)no3)C2)CC1 ZINC001034383134 1342451328 /nfs/dbraw/zinc/45/13/28/1342451328.db2.gz WFQMRGUAOPJFSD-PBHICJAKSA-N 1 2 346.475 3.156 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C)cc2OC)C1 ZINC001034492936 1342549335 /nfs/dbraw/zinc/54/93/35/1342549335.db2.gz DECQRWSFLKJLHX-OAHLLOKOSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C)cc2OC)C1 ZINC001034492936 1342549340 /nfs/dbraw/zinc/54/93/40/1342549340.db2.gz DECQRWSFLKJLHX-OAHLLOKOSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2oc3c(cccc3C)c2C)C1 ZINC001035607943 1343099005 /nfs/dbraw/zinc/09/90/05/1343099005.db2.gz BZHJYFOVRIOGLY-INIZCTEOSA-N 1 2 342.439 3.056 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2oc3c(cccc3C)c2C)C1 ZINC001035607943 1343099007 /nfs/dbraw/zinc/09/90/07/1343099007.db2.gz BZHJYFOVRIOGLY-INIZCTEOSA-N 1 2 342.439 3.056 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001035616687 1343102101 /nfs/dbraw/zinc/10/21/01/1343102101.db2.gz LZRPYUYOGDKPLG-VQIMIIECSA-N 1 2 330.472 3.207 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001035616687 1343102106 /nfs/dbraw/zinc/10/21/06/1343102106.db2.gz LZRPYUYOGDKPLG-VQIMIIECSA-N 1 2 330.472 3.207 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2oc3ccccc3c2CC)C1 ZINC001035623679 1343105614 /nfs/dbraw/zinc/10/56/14/1343105614.db2.gz DDMCBVAYXYXKRM-HNNXBMFYSA-N 1 2 342.439 3.002 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2oc3ccccc3c2CC)C1 ZINC001035623679 1343105621 /nfs/dbraw/zinc/10/56/21/1343105621.db2.gz DDMCBVAYXYXKRM-HNNXBMFYSA-N 1 2 342.439 3.002 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[C@@H](C)c1cccnc1)CC2 ZINC001035809245 1343209121 /nfs/dbraw/zinc/20/91/21/1343209121.db2.gz LHATVISNHMPIQV-OAHLLOKOSA-N 1 2 347.890 3.252 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccc3c(c1)CCC3)CC2 ZINC001035849045 1343228784 /nfs/dbraw/zinc/22/87/84/1343228784.db2.gz PJGWQLZUNDNXOP-UHFFFAOYSA-N 1 2 344.886 3.466 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccc(COC)cc1)CC2 ZINC001035849207 1343228804 /nfs/dbraw/zinc/22/88/04/1343228804.db2.gz RRWWFSMHBMFPJS-UHFFFAOYSA-N 1 2 348.874 3.124 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038162055 1344307082 /nfs/dbraw/zinc/30/70/82/1344307082.db2.gz AJDHTOJCVMPWSD-MLGOLLRUSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038162055 1344307085 /nfs/dbraw/zinc/30/70/85/1344307085.db2.gz AJDHTOJCVMPWSD-MLGOLLRUSA-N 1 2 342.830 3.105 20 30 EGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1Cl ZINC001038265449 1344347910 /nfs/dbraw/zinc/34/79/10/1344347910.db2.gz FGJFYRGZZURQDM-JZXOWHBKSA-N 1 2 348.874 3.012 20 30 EGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1Cl ZINC001038265449 1344347912 /nfs/dbraw/zinc/34/79/12/1344347912.db2.gz FGJFYRGZZURQDM-JZXOWHBKSA-N 1 2 348.874 3.012 20 30 EGEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C1CCC2(CC2)CC1 ZINC001038518512 1344463391 /nfs/dbraw/zinc/46/33/91/1344463391.db2.gz RGNLNSAMANGEDG-HXUWFJFHSA-N 1 2 336.479 3.199 20 30 EGEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)C1CCC2(CC2)CC1 ZINC001038518512 1344463393 /nfs/dbraw/zinc/46/33/93/1344463393.db2.gz RGNLNSAMANGEDG-HXUWFJFHSA-N 1 2 336.479 3.199 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccoc2C2CC2)c1 ZINC001038626580 1344511046 /nfs/dbraw/zinc/51/10/46/1344511046.db2.gz QQUYDUAFLPJYJF-QGZVFWFLSA-N 1 2 335.407 3.033 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccoc2C2CC2)c1 ZINC001038626580 1344511048 /nfs/dbraw/zinc/51/10/48/1344511048.db2.gz QQUYDUAFLPJYJF-QGZVFWFLSA-N 1 2 335.407 3.033 20 30 EGEDLO Cc1cccc(C)c1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001038728513 1344555029 /nfs/dbraw/zinc/55/50/29/1344555029.db2.gz LXTKXHFJUSZYLF-OAHLLOKOSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1cccc(C)c1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001038728513 1344555030 /nfs/dbraw/zinc/55/50/30/1344555030.db2.gz LXTKXHFJUSZYLF-OAHLLOKOSA-N 1 2 339.464 3.241 20 30 EGEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C12CCC(CC1)CC2 ZINC001039038257 1344727279 /nfs/dbraw/zinc/72/72/79/1344727279.db2.gz AQIIXJOWKKGYRK-SNCIUUNGSA-N 1 2 336.479 3.199 20 30 EGEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)C12CCC(CC1)CC2 ZINC001039038257 1344727284 /nfs/dbraw/zinc/72/72/84/1344727284.db2.gz AQIIXJOWKKGYRK-SNCIUUNGSA-N 1 2 336.479 3.199 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2occc2[nH]1 ZINC001039383080 1345037924 /nfs/dbraw/zinc/03/79/24/1345037924.db2.gz LCRNMDOLAVCNLY-OLZOCXBDSA-N 1 2 333.819 3.192 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2occc2[nH]1 ZINC001039383080 1345037925 /nfs/dbraw/zinc/03/79/25/1345037925.db2.gz LCRNMDOLAVCNLY-OLZOCXBDSA-N 1 2 333.819 3.192 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccncc1CC ZINC001039396547 1345044634 /nfs/dbraw/zinc/04/46/34/1345044634.db2.gz WAAWGMCMSWALJY-CVEARBPZSA-N 1 2 333.863 3.075 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccncc1CC ZINC001039396547 1345044636 /nfs/dbraw/zinc/04/46/36/1345044636.db2.gz WAAWGMCMSWALJY-CVEARBPZSA-N 1 2 333.863 3.075 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(COC)c1 ZINC001039400764 1345046996 /nfs/dbraw/zinc/04/69/96/1345046996.db2.gz UCILSNHDKVXAHI-MSOLQXFVSA-N 1 2 348.874 3.264 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(COC)c1 ZINC001039400764 1345047000 /nfs/dbraw/zinc/04/70/00/1345047000.db2.gz UCILSNHDKVXAHI-MSOLQXFVSA-N 1 2 348.874 3.264 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2ccccn2c1 ZINC001039447581 1345072212 /nfs/dbraw/zinc/07/22/12/1345072212.db2.gz TUGLEWJIIXZWQA-AEFFLSMTSA-N 1 2 343.858 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2ccccn2c1 ZINC001039447581 1345072214 /nfs/dbraw/zinc/07/22/14/1345072214.db2.gz TUGLEWJIIXZWQA-AEFFLSMTSA-N 1 2 343.858 3.371 20 30 EGEDLO O=C(C[C@H]1C=CCC1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001039510023 1345122155 /nfs/dbraw/zinc/12/21/55/1345122155.db2.gz NHGAKKCJHJUXCL-FDFHNCONSA-N 1 2 348.490 3.460 20 30 EGEDLO O=C(C[C@H]1C=CCC1)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001039510023 1345122157 /nfs/dbraw/zinc/12/21/57/1345122157.db2.gz NHGAKKCJHJUXCL-FDFHNCONSA-N 1 2 348.490 3.460 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H](C)[C@H](CNc3cc[nH+]c(C)n3)C2)CC1 ZINC001039890825 1345233608 /nfs/dbraw/zinc/23/36/08/1345233608.db2.gz OVLCLNIHVJWLBZ-MAUKXSAKSA-N 1 2 342.487 3.428 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2cscn2)C3)C1 ZINC001040383178 1345468114 /nfs/dbraw/zinc/46/81/14/1345468114.db2.gz GQRTXHTXAPFZTN-LJQANCHMSA-N 1 2 345.512 3.314 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2cscn2)C3)C1 ZINC001040383178 1345468115 /nfs/dbraw/zinc/46/81/15/1345468115.db2.gz GQRTXHTXAPFZTN-LJQANCHMSA-N 1 2 345.512 3.314 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3cscn3)[C@H]2C1 ZINC001042185490 1345972630 /nfs/dbraw/zinc/97/26/30/1345972630.db2.gz SZXXNMDCFQMMTO-HOCLYGCPSA-N 1 2 333.501 3.168 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3cscn3)[C@H]2C1 ZINC001042185490 1345972634 /nfs/dbraw/zinc/97/26/34/1345972634.db2.gz SZXXNMDCFQMMTO-HOCLYGCPSA-N 1 2 333.501 3.168 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3sccc3OC)C[C@H]21 ZINC001042319605 1346031359 /nfs/dbraw/zinc/03/13/59/1346031359.db2.gz KHYZKBNNNMGRLB-CHWSQXEVSA-N 1 2 340.876 3.046 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3sccc3OC)C[C@H]21 ZINC001042319605 1346031362 /nfs/dbraw/zinc/03/13/62/1346031362.db2.gz KHYZKBNNNMGRLB-CHWSQXEVSA-N 1 2 340.876 3.046 20 30 EGEDLO C=CCn1cccc1C(=O)N(C)C1C[NH+](Cc2ccc(CF)cc2)C1 ZINC001042930529 1346125734 /nfs/dbraw/zinc/12/57/34/1346125734.db2.gz KAROPSXITMYWRB-UHFFFAOYSA-N 1 2 341.430 3.100 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](CCc3ccccc3Cl)C2)C1 ZINC001043810796 1346212174 /nfs/dbraw/zinc/21/21/74/1346212174.db2.gz KEHLWFUOUBUQQZ-UHFFFAOYSA-N 1 2 332.875 3.381 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)C2CCCC2)CC1 ZINC001045344457 1346567134 /nfs/dbraw/zinc/56/71/34/1346567134.db2.gz ZPYJTKNLLZPGRI-UHFFFAOYSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCC2(C)C)CC1 ZINC001045527329 1346616827 /nfs/dbraw/zinc/61/68/27/1346616827.db2.gz IPELYBWGRYSFJG-ZDUSSCGKSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cscn1 ZINC001045826831 1346710055 /nfs/dbraw/zinc/71/00/55/1346710055.db2.gz XYEMPSAUXHOHDC-CVEARBPZSA-N 1 2 333.501 3.311 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cscn1 ZINC001045826831 1346710059 /nfs/dbraw/zinc/71/00/59/1346710059.db2.gz XYEMPSAUXHOHDC-CVEARBPZSA-N 1 2 333.501 3.311 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cscn1 ZINC001045840864 1346716936 /nfs/dbraw/zinc/71/69/36/1346716936.db2.gz SESYWTDKDQUJJU-RYRKJORJSA-N 1 2 333.501 3.311 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cscn1 ZINC001045840864 1346716937 /nfs/dbraw/zinc/71/69/37/1346716937.db2.gz SESYWTDKDQUJJU-RYRKJORJSA-N 1 2 333.501 3.311 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001046225742 1346898739 /nfs/dbraw/zinc/89/87/39/1346898739.db2.gz DSUUPFMMIQHPAS-MRXNPFEDSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001046225742 1346898742 /nfs/dbraw/zinc/89/87/42/1346898742.db2.gz DSUUPFMMIQHPAS-MRXNPFEDSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cccc([C@@H]3CCOC3)c2)C1 ZINC001046432731 1346974283 /nfs/dbraw/zinc/97/42/83/1346974283.db2.gz UOYFVVSTCQZRKX-MJGOQNOKSA-N 1 2 348.874 3.137 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cccc([C@@H]3CCOC3)c2)C1 ZINC001046432731 1346974287 /nfs/dbraw/zinc/97/42/87/1346974287.db2.gz UOYFVVSTCQZRKX-MJGOQNOKSA-N 1 2 348.874 3.137 20 30 EGEDLO C=C1CCC(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccn(C(C)C)n3)C2)CC1 ZINC001046594570 1347030292 /nfs/dbraw/zinc/03/02/92/1347030292.db2.gz KEAZRPHHKUDXHS-FQEVSTJZSA-N 1 2 344.503 3.291 20 30 EGEDLO C=C1CCC(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccn(C(C)C)n3)C2)CC1 ZINC001046594570 1347030295 /nfs/dbraw/zinc/03/02/95/1347030295.db2.gz KEAZRPHHKUDXHS-FQEVSTJZSA-N 1 2 344.503 3.291 20 30 EGEDLO C=C1CCC(C(=O)N[C@@]2(C)CC[N@@H+]([C@H](C)c3ncc(C)o3)C2)CC1 ZINC001046594057 1347030625 /nfs/dbraw/zinc/03/06/25/1347030625.db2.gz DBYLEWSLSCFUBT-BEFAXECRSA-N 1 2 331.460 3.371 20 30 EGEDLO C=C1CCC(C(=O)N[C@@]2(C)CC[N@H+]([C@H](C)c3ncc(C)o3)C2)CC1 ZINC001046594057 1347030627 /nfs/dbraw/zinc/03/06/27/1347030627.db2.gz DBYLEWSLSCFUBT-BEFAXECRSA-N 1 2 331.460 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(OC)c(Cl)c2)C1 ZINC001046828263 1347121618 /nfs/dbraw/zinc/12/16/18/1347121618.db2.gz LLXNWICZRUWWGU-INIZCTEOSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(OC)c(Cl)c2)C1 ZINC001046828263 1347121619 /nfs/dbraw/zinc/12/16/19/1347121619.db2.gz LLXNWICZRUWWGU-INIZCTEOSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cscn1 ZINC001049637577 1347946873 /nfs/dbraw/zinc/94/68/73/1347946873.db2.gz HPDHZVPHFJBMEZ-CVEARBPZSA-N 1 2 333.501 3.311 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cscn1 ZINC001049637577 1347946875 /nfs/dbraw/zinc/94/68/75/1347946875.db2.gz HPDHZVPHFJBMEZ-CVEARBPZSA-N 1 2 333.501 3.311 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(OCCC)c2)C1 ZINC001079789483 1357383405 /nfs/dbraw/zinc/38/34/05/1357383405.db2.gz HOQVUGREAZUQLE-CXAGYDPISA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(OCCC)c2)C1 ZINC001079789483 1357383409 /nfs/dbraw/zinc/38/34/09/1357383409.db2.gz HOQVUGREAZUQLE-CXAGYDPISA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc2ccccc2s1 ZINC001051007442 1348382281 /nfs/dbraw/zinc/38/22/81/1348382281.db2.gz JKNFTDKTCFRMPK-MRXNPFEDSA-N 1 2 344.480 3.298 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cc2ccccc2s1 ZINC001051007442 1348382284 /nfs/dbraw/zinc/38/22/84/1348382284.db2.gz JKNFTDKTCFRMPK-MRXNPFEDSA-N 1 2 344.480 3.298 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)c3cc(F)c[nH]3)cccc2C1 ZINC001051293286 1348421892 /nfs/dbraw/zinc/42/18/92/1348421892.db2.gz MUWLQPGRRKTOQQ-UHFFFAOYSA-N 1 2 347.821 3.194 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)c3cc(F)c[nH]3)cccc2C1 ZINC001051293286 1348421893 /nfs/dbraw/zinc/42/18/93/1348421893.db2.gz MUWLQPGRRKTOQQ-UHFFFAOYSA-N 1 2 347.821 3.194 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCOC2(C[NH+]([C@H](CC)c3ccccc3)C2)C1 ZINC001053374672 1349014876 /nfs/dbraw/zinc/01/48/76/1349014876.db2.gz JSIURQCQGLMWCH-GOSISDBHSA-N 1 2 342.483 3.263 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001053504301 1349048898 /nfs/dbraw/zinc/04/88/98/1349048898.db2.gz HOVFCSYYOQKENU-IDHHARJASA-N 1 2 330.476 3.284 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc(CCC)c(C)s1)CCO2 ZINC001053526892 1349055476 /nfs/dbraw/zinc/05/54/76/1349055476.db2.gz APJOZVWMNRDDSH-UHFFFAOYSA-N 1 2 348.512 3.112 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(C3CC3)cc1)O2 ZINC001053700297 1349097772 /nfs/dbraw/zinc/09/77/72/1349097772.db2.gz QOPPLMRCNHQWOM-LJQANCHMSA-N 1 2 340.467 3.103 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccn(C(C)C)c1C ZINC001054049640 1349139544 /nfs/dbraw/zinc/13/95/44/1349139544.db2.gz DIOPFTWQURWVQP-HXUWFJFHSA-N 1 2 349.478 3.167 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccn(C(C)C)c1C ZINC001054049640 1349139550 /nfs/dbraw/zinc/13/95/50/1349139550.db2.gz DIOPFTWQURWVQP-HXUWFJFHSA-N 1 2 349.478 3.167 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc(C(C)(C)C)cn3)cc2C1 ZINC001054266312 1349263973 /nfs/dbraw/zinc/26/39/73/1349263973.db2.gz RUBRSXMEFKZIBQ-UHFFFAOYSA-N 1 2 347.462 3.258 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc(C(C)(C)C)cn3)cc2C1 ZINC001054266312 1349263975 /nfs/dbraw/zinc/26/39/75/1349263975.db2.gz RUBRSXMEFKZIBQ-UHFFFAOYSA-N 1 2 347.462 3.258 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc(F)ccc3Cl)cc2C1 ZINC001054283865 1349285234 /nfs/dbraw/zinc/28/52/34/1349285234.db2.gz UHJSYJFWIGSARO-UHFFFAOYSA-N 1 2 342.801 3.358 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc(F)ccc3Cl)cc2C1 ZINC001054283865 1349285235 /nfs/dbraw/zinc/28/52/35/1349285235.db2.gz UHJSYJFWIGSARO-UHFFFAOYSA-N 1 2 342.801 3.358 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc(C4CCCC4)no3)cc2C1 ZINC001054291700 1349297397 /nfs/dbraw/zinc/29/73/97/1349297397.db2.gz CMHRJFLABMWPMV-UHFFFAOYSA-N 1 2 349.434 3.211 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc(C4CCCC4)no3)cc2C1 ZINC001054291700 1349297400 /nfs/dbraw/zinc/29/74/00/1349297400.db2.gz CMHRJFLABMWPMV-UHFFFAOYSA-N 1 2 349.434 3.211 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccnc3ccccc32)C1 ZINC001080070019 1357474203 /nfs/dbraw/zinc/47/42/03/1357474203.db2.gz NKGWNOGNMZFBKG-SJKOYZFVSA-N 1 2 329.831 3.037 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccnc3ccccc32)C1 ZINC001080070019 1357474205 /nfs/dbraw/zinc/47/42/05/1357474205.db2.gz NKGWNOGNMZFBKG-SJKOYZFVSA-N 1 2 329.831 3.037 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCN(c3cc(C)[nH+]c(C4CC4)n3)C2)CC1 ZINC001058533687 1350262542 /nfs/dbraw/zinc/26/25/42/1350262542.db2.gz NTIMXPIKLJLAKS-QGZVFWFLSA-N 1 2 340.471 3.104 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H](CN(C)c2cc[nH+]c(C)n2)C1 ZINC001058699218 1350287431 /nfs/dbraw/zinc/28/74/31/1350287431.db2.gz ADAKXHHUCFLJBQ-MRXNPFEDSA-N 1 2 330.476 3.062 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001080277268 1357548510 /nfs/dbraw/zinc/54/85/10/1357548510.db2.gz LFAVDQGZNPYOIV-MRVWCRGKSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001080277268 1357548512 /nfs/dbraw/zinc/54/85/12/1357548512.db2.gz LFAVDQGZNPYOIV-MRVWCRGKSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC001060274567 1350811057 /nfs/dbraw/zinc/81/10/57/1350811057.db2.gz MENZFPARXWXKRJ-AWEZNQCLSA-N 1 2 336.867 3.357 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H](CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001060957101 1351191473 /nfs/dbraw/zinc/19/14/73/1351191473.db2.gz GPSOOHJDAFMYPY-OAHLLOKOSA-N 1 2 342.487 3.136 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCC[C@H]2CNc2cc[nH+]c(C)n2)CC1 ZINC001064133939 1352482884 /nfs/dbraw/zinc/48/28/84/1352482884.db2.gz AFLIHBJXJGVHIH-IRXDYDNUSA-N 1 2 328.460 3.228 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(OC)cc2Cl)C1 ZINC001080636579 1357711567 /nfs/dbraw/zinc/71/15/67/1357711567.db2.gz BZPAUXZSXSRNCA-MEBBXXQBSA-N 1 2 343.254 3.151 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(OC)cc2Cl)C1 ZINC001080636579 1357711570 /nfs/dbraw/zinc/71/15/70/1357711570.db2.gz BZPAUXZSXSRNCA-MEBBXXQBSA-N 1 2 343.254 3.151 20 30 EGEDLO C=C(C)CC[N@@H+]1Cc2cnn(C3CCN(C(=O)CC(C)C)CC3)c2C1 ZINC001070342628 1354324267 /nfs/dbraw/zinc/32/42/67/1354324267.db2.gz KTEVHCKIXVHLOB-UHFFFAOYSA-N 1 2 344.503 3.375 20 30 EGEDLO C=C(C)CC[N@H+]1Cc2cnn(C3CCN(C(=O)CC(C)C)CC3)c2C1 ZINC001070342628 1354324273 /nfs/dbraw/zinc/32/42/73/1354324273.db2.gz KTEVHCKIXVHLOB-UHFFFAOYSA-N 1 2 344.503 3.375 20 30 EGEDLO C=C(C)CC[N@@H+]1Cc2cnn(C3CCN(C(=O)C4(C)CC4)CC3)c2C1 ZINC001070346548 1354326225 /nfs/dbraw/zinc/32/62/25/1354326225.db2.gz FDVOFRAAYVYDIL-UHFFFAOYSA-N 1 2 342.487 3.129 20 30 EGEDLO C=C(C)CC[N@H+]1Cc2cnn(C3CCN(C(=O)C4(C)CC4)CC3)c2C1 ZINC001070346548 1354326229 /nfs/dbraw/zinc/32/62/29/1354326229.db2.gz FDVOFRAAYVYDIL-UHFFFAOYSA-N 1 2 342.487 3.129 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CC1CCCC1)C[C@@H](C)O2 ZINC001071127381 1354467628 /nfs/dbraw/zinc/46/76/28/1354467628.db2.gz NEOMOZJBLHBSAG-CRAIPNDOSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC1CCCC1)C[C@@H](C)O2 ZINC001071127381 1354467630 /nfs/dbraw/zinc/46/76/30/1354467630.db2.gz NEOMOZJBLHBSAG-CRAIPNDOSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)C1(CC)CCC1)C[C@H](C)O2 ZINC001071198546 1354499429 /nfs/dbraw/zinc/49/94/29/1354499429.db2.gz ADEWDOHWFTUSNJ-MAUKXSAKSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1(CC)CCC1)C[C@H](C)O2 ZINC001071198546 1354499431 /nfs/dbraw/zinc/49/94/31/1354499431.db2.gz ADEWDOHWFTUSNJ-MAUKXSAKSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C)cc1)C[C@@H](C)O2 ZINC001071235249 1354519154 /nfs/dbraw/zinc/51/91/54/1354519154.db2.gz BIGYLGIVWXVFCJ-APWZRJJASA-N 1 2 348.874 3.053 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C)cc1)C[C@@H](C)O2 ZINC001071235249 1354519158 /nfs/dbraw/zinc/51/91/58/1354519158.db2.gz BIGYLGIVWXVFCJ-APWZRJJASA-N 1 2 348.874 3.053 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C=C2CCC2)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC001071420179 1354684466 /nfs/dbraw/zinc/68/44/66/1354684466.db2.gz KLDONLGLPYFMHF-AUUYWEPGSA-N 1 2 341.430 3.277 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C=C2CCC2)C[N@H+]1Cc1cc(F)ccc1C#N ZINC001071420179 1354684470 /nfs/dbraw/zinc/68/44/70/1354684470.db2.gz KLDONLGLPYFMHF-AUUYWEPGSA-N 1 2 341.430 3.277 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c(C)cccn3c2)C1 ZINC001080769846 1357736170 /nfs/dbraw/zinc/73/61/70/1357736170.db2.gz KWLYKNGVAAZDKP-CZUORRHYSA-N 1 2 331.847 3.050 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c(C)cccn3c2)C1 ZINC001080769846 1357736171 /nfs/dbraw/zinc/73/61/71/1357736171.db2.gz KWLYKNGVAAZDKP-CZUORRHYSA-N 1 2 331.847 3.050 20 30 EGEDLO Cc1ncccc1C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001071784077 1354933201 /nfs/dbraw/zinc/93/32/01/1354933201.db2.gz YIFZEXGKCLGCIK-HNAYVOBHSA-N 1 2 348.450 3.045 20 30 EGEDLO Cc1ncccc1C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001071784077 1354933202 /nfs/dbraw/zinc/93/32/02/1354933202.db2.gz YIFZEXGKCLGCIK-HNAYVOBHSA-N 1 2 348.450 3.045 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3csc(C)n3)C2)C1 ZINC001071803312 1354946060 /nfs/dbraw/zinc/94/60/60/1354946060.db2.gz KOMHBQWMHLCGHC-HIFRSBDPSA-N 1 2 333.501 3.277 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3csc(C)n3)C2)C1 ZINC001071803312 1354946065 /nfs/dbraw/zinc/94/60/65/1354946065.db2.gz KOMHBQWMHLCGHC-HIFRSBDPSA-N 1 2 333.501 3.277 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3ncc(C)s3)C2)C1 ZINC001071807444 1354951896 /nfs/dbraw/zinc/95/18/96/1354951896.db2.gz SDODNIGNTXJULQ-HIFRSBDPSA-N 1 2 333.501 3.277 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3ncc(C)s3)C2)C1 ZINC001071807444 1354951899 /nfs/dbraw/zinc/95/18/99/1354951899.db2.gz SDODNIGNTXJULQ-HIFRSBDPSA-N 1 2 333.501 3.277 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cccc(OCC)c2)CC[C@@H]1C ZINC001071854452 1354982719 /nfs/dbraw/zinc/98/27/19/1354982719.db2.gz ADEWSOGCIMMJLF-GOEBONIOSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccc(OCC)c2)CC[C@@H]1C ZINC001071854452 1354982730 /nfs/dbraw/zinc/98/27/30/1354982730.db2.gz ADEWSOGCIMMJLF-GOEBONIOSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1csnc1C ZINC001089630070 1360547450 /nfs/dbraw/zinc/54/74/50/1360547450.db2.gz BAZZVCWJTDRWJF-CYBMUJFWSA-N 1 2 341.908 3.424 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc(C)cc3c[nH]nc32)CC[C@@H]1C ZINC001071890858 1355009516 /nfs/dbraw/zinc/00/95/16/1355009516.db2.gz STCSXHNQDIQMJM-ZFWWWQNUSA-N 1 2 346.862 3.207 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc(C)cc3c[nH]nc32)CC[C@@H]1C ZINC001071890858 1355009521 /nfs/dbraw/zinc/00/95/21/1355009521.db2.gz STCSXHNQDIQMJM-ZFWWWQNUSA-N 1 2 346.862 3.207 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1csnc1C ZINC001089630070 1360547451 /nfs/dbraw/zinc/54/74/51/1360547451.db2.gz BAZZVCWJTDRWJF-CYBMUJFWSA-N 1 2 341.908 3.424 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C\Cl)C2 ZINC001072944382 1355512370 /nfs/dbraw/zinc/51/23/70/1355512370.db2.gz AXCUZJUXHQKFQY-NRUITVPNSA-N 1 2 331.287 3.442 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+](C/C(Cl)=C\Cl)C2 ZINC001072944382 1355512371 /nfs/dbraw/zinc/51/23/71/1355512371.db2.gz AXCUZJUXHQKFQY-NRUITVPNSA-N 1 2 331.287 3.442 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@H+](Cc1coc(C3CC3)n1)C2 ZINC001072951769 1355518477 /nfs/dbraw/zinc/51/84/77/1355518477.db2.gz UYKHLHGWKNNINL-LJQANCHMSA-N 1 2 343.471 3.189 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+](Cc1coc(C3CC3)n1)C2 ZINC001072951769 1355518481 /nfs/dbraw/zinc/51/84/81/1355518481.db2.gz UYKHLHGWKNNINL-LJQANCHMSA-N 1 2 343.471 3.189 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(C3CC3)cc2)C1 ZINC001073896685 1355945397 /nfs/dbraw/zinc/94/53/97/1355945397.db2.gz YLEIKYGQPSSILD-SFHVURJKSA-N 1 2 348.874 3.137 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(C3CC3)cc2)C1 ZINC001073896685 1355945399 /nfs/dbraw/zinc/94/53/99/1355945399.db2.gz YLEIKYGQPSSILD-SFHVURJKSA-N 1 2 348.874 3.137 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(C)CCCCCC3)C[C@H]21 ZINC001074268655 1356150580 /nfs/dbraw/zinc/15/05/80/1356150580.db2.gz NNUHZQHMOUCDRB-QZTJIDSGSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C3(C)CCCCCC3)C[C@H]21 ZINC001074268655 1356150582 /nfs/dbraw/zinc/15/05/82/1356150582.db2.gz NNUHZQHMOUCDRB-QZTJIDSGSA-N 1 2 334.504 3.225 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCC[N@@H+](Cc3cccc(C)c3)[C@H]2C1 ZINC001074312883 1356163631 /nfs/dbraw/zinc/16/36/31/1356163631.db2.gz UHUZYLDEGOAVRZ-OALUTQOASA-N 1 2 342.483 3.009 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCC[N@H+](Cc3cccc(C)c3)[C@H]2C1 ZINC001074312883 1356163632 /nfs/dbraw/zinc/16/36/32/1356163632.db2.gz UHUZYLDEGOAVRZ-OALUTQOASA-N 1 2 342.483 3.009 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CC3CCCCCC3)C[C@@H]21 ZINC001074342919 1356176194 /nfs/dbraw/zinc/17/61/94/1356176194.db2.gz DQDKLWVTMBCKGB-RBUKOAKNSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CC3CCCCCC3)C[C@@H]21 ZINC001074342919 1356176196 /nfs/dbraw/zinc/17/61/96/1356176196.db2.gz DQDKLWVTMBCKGB-RBUKOAKNSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(C)c3Cl)C[C@H]21 ZINC001074360490 1356184286 /nfs/dbraw/zinc/18/42/86/1356184286.db2.gz NCRAJJXITAFPDN-IAGOWNOFSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(C)c3Cl)C[C@H]21 ZINC001074360490 1356184287 /nfs/dbraw/zinc/18/42/87/1356184287.db2.gz NCRAJJXITAFPDN-IAGOWNOFSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(C4CCCCC4)CC3)C[C@@H]21 ZINC001074392753 1356191624 /nfs/dbraw/zinc/19/16/24/1356191624.db2.gz OUDXAUPKZUVDKZ-RBUKOAKNSA-N 1 2 346.515 3.225 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C3(C4CCCCC4)CC3)C[C@@H]21 ZINC001074392753 1356191626 /nfs/dbraw/zinc/19/16/26/1356191626.db2.gz OUDXAUPKZUVDKZ-RBUKOAKNSA-N 1 2 346.515 3.225 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCC3CCCCC3)C[C@@H]21 ZINC001074398061 1356193728 /nfs/dbraw/zinc/19/37/28/1356193728.db2.gz ROAPZGCHRIJKMI-OALUTQOASA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCC3CCCCC3)C[C@@H]21 ZINC001074398061 1356193730 /nfs/dbraw/zinc/19/37/30/1356193730.db2.gz ROAPZGCHRIJKMI-OALUTQOASA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2C1 ZINC001076532969 1356608869 /nfs/dbraw/zinc/60/88/69/1356608869.db2.gz JMVMUKIYVXGBKR-FUHWJXTLSA-N 1 2 348.874 3.373 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2C1 ZINC001076532969 1356608872 /nfs/dbraw/zinc/60/88/72/1356608872.db2.gz JMVMUKIYVXGBKR-FUHWJXTLSA-N 1 2 348.874 3.373 20 30 EGEDLO C=CCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ncc(CC)o1 ZINC001098949203 1363536250 /nfs/dbraw/zinc/53/62/50/1363536250.db2.gz PSSPAMLKMCYJAX-OAHLLOKOSA-N 1 2 333.476 3.310 20 30 EGEDLO C=CCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ncc(CC)o1 ZINC001098949203 1363536252 /nfs/dbraw/zinc/53/62/52/1363536252.db2.gz PSSPAMLKMCYJAX-OAHLLOKOSA-N 1 2 333.476 3.310 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC(c3ccccc3)C2)C1 ZINC001081030983 1357786471 /nfs/dbraw/zinc/78/64/71/1357786471.db2.gz JNHDVJVQOIBJDX-HELAGCTPSA-N 1 2 332.875 3.369 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC(c3ccccc3)C2)C1 ZINC001081030983 1357786474 /nfs/dbraw/zinc/78/64/74/1357786474.db2.gz JNHDVJVQOIBJDX-HELAGCTPSA-N 1 2 332.875 3.369 20 30 EGEDLO O=C(c1ccccc1F)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084159019 1358146762 /nfs/dbraw/zinc/14/67/62/1358146762.db2.gz NNINPLIPMVYAPV-WIYYLYMNSA-N 1 2 348.421 3.024 20 30 EGEDLO O=C(c1ccccc1F)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084159019 1358146765 /nfs/dbraw/zinc/14/67/65/1358146765.db2.gz NNINPLIPMVYAPV-WIYYLYMNSA-N 1 2 348.421 3.024 20 30 EGEDLO CCC(C)(C)CC(=O)NC[C@H]1CC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC001323240207 1387315695 /nfs/dbraw/zinc/31/56/95/1387315695.db2.gz AXVNDYPQUPNVLQ-QGZVFWFLSA-N 1 2 343.471 3.084 20 30 EGEDLO CCC(C)(C)CC(=O)NC[C@H]1CC[N@H+]1Cc1cc(C#N)ccc1OC ZINC001323240207 1387315697 /nfs/dbraw/zinc/31/56/97/1387315697.db2.gz AXVNDYPQUPNVLQ-QGZVFWFLSA-N 1 2 343.471 3.084 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)c3cccc(C)c3)[C@@H]2C1 ZINC001084689467 1358282154 /nfs/dbraw/zinc/28/21/54/1358282154.db2.gz HEQNOBSZRPWMPP-KBAYOESNSA-N 1 2 332.875 3.384 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)c3cccc(C)c3)[C@@H]2C1 ZINC001084689467 1358282155 /nfs/dbraw/zinc/28/21/55/1358282155.db2.gz HEQNOBSZRPWMPP-KBAYOESNSA-N 1 2 332.875 3.384 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)c3ccccc3C)[C@@H]2C1 ZINC001084846685 1358327117 /nfs/dbraw/zinc/32/71/17/1358327117.db2.gz VBDHVSVDGUMLJK-LZLYRXPVSA-N 1 2 332.875 3.384 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)c3ccccc3C)[C@@H]2C1 ZINC001084846685 1358327120 /nfs/dbraw/zinc/32/71/20/1358327120.db2.gz VBDHVSVDGUMLJK-LZLYRXPVSA-N 1 2 332.875 3.384 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c4ccc(C)cc34)[C@@H]2C1 ZINC001084857235 1358330424 /nfs/dbraw/zinc/33/04/24/1358330424.db2.gz RVAZDTXKIVDTLK-RDTXWAMCSA-N 1 2 343.858 3.375 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c4ccc(C)cc34)[C@@H]2C1 ZINC001084857235 1358330428 /nfs/dbraw/zinc/33/04/28/1358330428.db2.gz RVAZDTXKIVDTLK-RDTXWAMCSA-N 1 2 343.858 3.375 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H](C)c2noc(C)n2)CC1 ZINC001085321177 1358464926 /nfs/dbraw/zinc/46/49/26/1358464926.db2.gz KHAZXFUDOMRXTO-IAOVAPTHSA-N 1 2 346.475 3.202 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)C1CCCCC1 ZINC001085460660 1358514492 /nfs/dbraw/zinc/51/44/92/1358514492.db2.gz NDRGUINLVPBBRD-SFHVURJKSA-N 1 2 343.446 3.310 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)C1CCCCC1 ZINC001085460660 1358514494 /nfs/dbraw/zinc/51/44/94/1358514494.db2.gz NDRGUINLVPBBRD-SFHVURJKSA-N 1 2 343.446 3.310 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)C1CCCCC1 ZINC001085462119 1358516440 /nfs/dbraw/zinc/51/64/40/1358516440.db2.gz XLIQTOOGNWXRKP-IBGZPJMESA-N 1 2 325.456 3.171 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)C1CCCCC1 ZINC001085462119 1358516443 /nfs/dbraw/zinc/51/64/43/1358516443.db2.gz XLIQTOOGNWXRKP-IBGZPJMESA-N 1 2 325.456 3.171 20 30 EGEDLO Cc1cc(C)c(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)o1 ZINC001085525808 1358563934 /nfs/dbraw/zinc/56/39/34/1358563934.db2.gz OVIVKZPICLNEQS-GOSISDBHSA-N 1 2 337.423 3.115 20 30 EGEDLO Cc1cc(C)c(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)o1 ZINC001085525808 1358563947 /nfs/dbraw/zinc/56/39/47/1358563947.db2.gz OVIVKZPICLNEQS-GOSISDBHSA-N 1 2 337.423 3.115 20 30 EGEDLO Cc1cscc1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001085535421 1358572643 /nfs/dbraw/zinc/57/26/43/1358572643.db2.gz IWMKNOKEXZFBIY-ZDUSSCGKSA-N 1 2 345.493 3.336 20 30 EGEDLO Cc1cscc1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001085535421 1358572648 /nfs/dbraw/zinc/57/26/48/1358572648.db2.gz IWMKNOKEXZFBIY-ZDUSSCGKSA-N 1 2 345.493 3.336 20 30 EGEDLO Cc1sccc1C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001085587196 1358616170 /nfs/dbraw/zinc/61/61/70/1358616170.db2.gz LQRKCVFKCWGCLI-GOSISDBHSA-N 1 2 338.476 3.255 20 30 EGEDLO Cc1sccc1C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001085587196 1358616174 /nfs/dbraw/zinc/61/61/74/1358616174.db2.gz LQRKCVFKCWGCLI-GOSISDBHSA-N 1 2 338.476 3.255 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)C1CC2(CCC2)C1 ZINC001085766835 1358742208 /nfs/dbraw/zinc/74/22/08/1358742208.db2.gz RWDCDFIQKXFJTA-HXUWFJFHSA-N 1 2 336.479 3.151 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)C1CC2(CCC2)C1 ZINC001085766835 1358742210 /nfs/dbraw/zinc/74/22/10/1358742210.db2.gz RWDCDFIQKXFJTA-HXUWFJFHSA-N 1 2 336.479 3.151 20 30 EGEDLO CN(C[C@@H]1CC1(C)C)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183830664 1387355400 /nfs/dbraw/zinc/35/54/00/1387355400.db2.gz GOAWUUDQFZSCCO-RBUKOAKNSA-N 1 2 339.483 3.417 20 30 EGEDLO CN(C[C@@H]1CC1(C)C)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183830664 1387355405 /nfs/dbraw/zinc/35/54/05/1387355405.db2.gz GOAWUUDQFZSCCO-RBUKOAKNSA-N 1 2 339.483 3.417 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@H]1CCC(C)(C)C1 ZINC001085803932 1358780074 /nfs/dbraw/zinc/78/00/74/1358780074.db2.gz YNQWOIGUUFVEAP-VQTJNVASSA-N 1 2 338.495 3.397 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@H]1CCC(C)(C)C1 ZINC001085803932 1358780077 /nfs/dbraw/zinc/78/00/77/1358780077.db2.gz YNQWOIGUUFVEAP-VQTJNVASSA-N 1 2 338.495 3.397 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CCF)CC[C@@H]2c2ccccc2)C1 ZINC001087436817 1359465025 /nfs/dbraw/zinc/46/50/25/1359465025.db2.gz MSUXCPWSUQFAML-QZTJIDSGSA-N 1 2 330.447 3.287 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CCF)CC[C@@H]2c2ccccc2)C1 ZINC001087436817 1359465027 /nfs/dbraw/zinc/46/50/27/1359465027.db2.gz MSUXCPWSUQFAML-QZTJIDSGSA-N 1 2 330.447 3.287 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(F)ccc(F)c2F)[C@H]1CC ZINC001087706859 1359601698 /nfs/dbraw/zinc/60/16/98/1359601698.db2.gz OWMZZWLRTOYLGZ-QWHCGFSZSA-N 1 2 346.780 3.439 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(F)ccc(F)c2F)[C@H]1CC ZINC001087706859 1359601701 /nfs/dbraw/zinc/60/17/01/1359601701.db2.gz OWMZZWLRTOYLGZ-QWHCGFSZSA-N 1 2 346.780 3.439 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnc(C3CC3)s2)[C@H]1CC ZINC001087804195 1359653427 /nfs/dbraw/zinc/65/34/27/1359653427.db2.gz NGIMGWFKCLFONG-QWHCGFSZSA-N 1 2 339.892 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnc(C3CC3)s2)[C@H]1CC ZINC001087804195 1359653429 /nfs/dbraw/zinc/65/34/29/1359653429.db2.gz NGIMGWFKCLFONG-QWHCGFSZSA-N 1 2 339.892 3.356 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCCCC[C@@H]([NH2+]Cc2noc(CC)n2)C1 ZINC001088359032 1359842449 /nfs/dbraw/zinc/84/24/49/1359842449.db2.gz PKUDZFRBTLYIFS-OAHLLOKOSA-N 1 2 348.491 3.095 20 30 EGEDLO C=C1CCC(C(=O)N2CCCCC[C@@H]([NH2+]Cc3cnsn3)C2)CC1 ZINC001088373960 1359855375 /nfs/dbraw/zinc/85/53/75/1359855375.db2.gz VEEHQQNEJCCWOW-MRXNPFEDSA-N 1 2 348.516 3.145 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2ccco2)CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001088448205 1359911753 /nfs/dbraw/zinc/91/17/53/1359911753.db2.gz WFOZYEVFFSBRIA-PBHICJAKSA-N 1 2 342.826 3.177 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2ccco2)CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001088448205 1359911754 /nfs/dbraw/zinc/91/17/54/1359911754.db2.gz WFOZYEVFFSBRIA-PBHICJAKSA-N 1 2 342.826 3.177 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2oc(C(F)F)cc2C)[C@H]1C ZINC001088636639 1359998577 /nfs/dbraw/zinc/99/85/77/1359998577.db2.gz NXJPQFVBYDSTMG-MNOVXSKESA-N 1 2 332.778 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2oc(C(F)F)cc2C)[C@H]1C ZINC001088636639 1359998582 /nfs/dbraw/zinc/99/85/82/1359998582.db2.gz NXJPQFVBYDSTMG-MNOVXSKESA-N 1 2 332.778 3.471 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccnc(-c3ccco3)c2)[C@H]1C ZINC001088649080 1360001946 /nfs/dbraw/zinc/00/19/46/1360001946.db2.gz IPCSLAQHDUPXCN-HIFRSBDPSA-N 1 2 345.830 3.287 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccnc(-c3ccco3)c2)[C@H]1C ZINC001088649080 1360001950 /nfs/dbraw/zinc/00/19/50/1360001950.db2.gz IPCSLAQHDUPXCN-HIFRSBDPSA-N 1 2 345.830 3.287 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3csc(CC)n3)[C@@H]2C)C1 ZINC001088844428 1360078744 /nfs/dbraw/zinc/07/87/44/1360078744.db2.gz QGMYJISYJOSNGG-HIFRSBDPSA-N 1 2 333.501 3.141 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3csc(CC)n3)[C@@H]2C)C1 ZINC001088844428 1360078747 /nfs/dbraw/zinc/07/87/47/1360078747.db2.gz QGMYJISYJOSNGG-HIFRSBDPSA-N 1 2 333.501 3.141 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3ccccc3C2)[C@H]1C ZINC001088882840 1360088704 /nfs/dbraw/zinc/08/87/04/1360088704.db2.gz MBXCWCUPPMYQPZ-OLMNPRSZSA-N 1 2 332.875 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3ccccc3C2)[C@H]1C ZINC001088882840 1360088708 /nfs/dbraw/zinc/08/87/08/1360088708.db2.gz MBXCWCUPPMYQPZ-OLMNPRSZSA-N 1 2 332.875 3.123 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(F)c2OCC)[C@H]1C ZINC001088944483 1360110463 /nfs/dbraw/zinc/11/04/63/1360110463.db2.gz KEPNKBRNZICMKT-DOMZBBRYSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(F)c2OCC)[C@H]1C ZINC001088944483 1360110464 /nfs/dbraw/zinc/11/04/64/1360110464.db2.gz KEPNKBRNZICMKT-DOMZBBRYSA-N 1 2 340.826 3.170 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C2(F)CCCCC2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088958769 1360116082 /nfs/dbraw/zinc/11/60/82/1360116082.db2.gz SBEFDHWQQPKJGX-QAPCUYQASA-N 1 2 343.446 3.310 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C2(F)CCCCC2)CC[N@H+]1Cc1ccccc1C#N ZINC001088958769 1360116084 /nfs/dbraw/zinc/11/60/84/1360116084.db2.gz SBEFDHWQQPKJGX-QAPCUYQASA-N 1 2 343.446 3.310 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)c2ccc(F)c(F)c2)[C@H]1C ZINC001089050973 1360147538 /nfs/dbraw/zinc/14/75/38/1360147538.db2.gz XMDFZDUCVKEWNO-HSMVNMDESA-N 1 2 342.817 3.400 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2ccc(F)c(F)c2)[C@H]1C ZINC001089050973 1360147543 /nfs/dbraw/zinc/14/75/43/1360147543.db2.gz XMDFZDUCVKEWNO-HSMVNMDESA-N 1 2 342.817 3.400 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)[C@H]1C ZINC001089069799 1360158839 /nfs/dbraw/zinc/15/88/39/1360158839.db2.gz ZEIRUMCONDXANO-ZFVVBOAOSA-N 1 2 336.838 3.261 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)[C@H]1C ZINC001089069799 1360158842 /nfs/dbraw/zinc/15/88/42/1360158842.db2.gz ZEIRUMCONDXANO-ZFVVBOAOSA-N 1 2 336.838 3.261 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H](C)[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001089183829 1360234144 /nfs/dbraw/zinc/23/41/44/1360234144.db2.gz NWFLJSABZAZLEZ-GDBMZVCRSA-N 1 2 330.476 3.284 20 30 EGEDLO C#CCCCC(=O)N[C@H](C)C[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001089300086 1360319987 /nfs/dbraw/zinc/31/99/87/1360319987.db2.gz ZYYQEYZQZMINBB-CABCVRRESA-N 1 2 342.487 3.163 20 30 EGEDLO Cc1cc(N[C@@H](C)C[C@@H](C)NC(=O)C#CC(C)C)nc(C(C)C)[nH+]1 ZINC001089308067 1360327193 /nfs/dbraw/zinc/32/71/93/1360327193.db2.gz DQYIFOQXPPDTRI-LSDHHAIUSA-N 1 2 330.476 3.263 20 30 EGEDLO C=CCCC(=O)NCCC1(CNc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001089920215 1360744946 /nfs/dbraw/zinc/74/49/46/1360744946.db2.gz FXUAVCMWSHQYPI-UHFFFAOYSA-N 1 2 328.460 3.327 20 30 EGEDLO C=CCC1(C(=O)NCCC2(CNc3cc[nH+]c(C)n3)CC2)CCC1 ZINC001089993714 1360782634 /nfs/dbraw/zinc/78/26/34/1360782634.db2.gz ABWWKOOHPCZCBA-UHFFFAOYSA-N 1 2 328.460 3.230 20 30 EGEDLO Cc1cc(NCCCC[C@H](C)NC(=O)[C@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001090063972 1360808047 /nfs/dbraw/zinc/80/80/47/1360808047.db2.gz GTYQHGPVMBSZEM-KGLIPLIRSA-N 1 2 331.464 3.155 20 30 EGEDLO Cc1cc(NCCCC[C@H](C)NC(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001090087097 1360818765 /nfs/dbraw/zinc/81/87/65/1360818765.db2.gz OOHFRQAFUGXTEQ-HNNXBMFYSA-N 1 2 342.487 3.409 20 30 EGEDLO C=CCCC(=O)N1CC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)[C@@H]1C ZINC001090200604 1360865252 /nfs/dbraw/zinc/86/52/52/1360865252.db2.gz PCAMSUNGKVSAMY-BBRMVZONSA-N 1 2 328.460 3.031 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@H]21 ZINC001090354247 1360894542 /nfs/dbraw/zinc/89/45/42/1360894542.db2.gz OOOWCZXWNKSTOV-JEBQAFNWSA-N 1 2 342.487 3.041 20 30 EGEDLO Cc1cc(N[C@H]2C[C@H](CNC(=O)C#CC(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC001091457674 1361105036 /nfs/dbraw/zinc/10/50/36/1361105036.db2.gz QNDWOZVJZTUVBT-WKILWMFISA-N 1 2 342.487 3.265 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N(C)CCCCCCNc1cc[nH+]c(C)n1 ZINC001091734683 1361199280 /nfs/dbraw/zinc/19/92/80/1361199280.db2.gz RLHJHGMFTYHKHT-INIZCTEOSA-N 1 2 348.491 3.197 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)[C@@H]1C ZINC001091957293 1361259620 /nfs/dbraw/zinc/25/96/20/1361259620.db2.gz CTQCSLFUUWVJER-SJORKVTESA-N 1 2 342.487 3.185 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001092039062 1361279264 /nfs/dbraw/zinc/27/92/64/1361279264.db2.gz BUBUDHPERUSPCV-INMHGKMJSA-N 1 2 342.487 3.348 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001092046735 1361281882 /nfs/dbraw/zinc/28/18/82/1361281882.db2.gz QQAOGLULHCLYQA-SIXWZSSISA-N 1 2 330.476 3.088 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)CC(C)(C)C1 ZINC001092088639 1361298386 /nfs/dbraw/zinc/29/83/86/1361298386.db2.gz MLOPHRMGVVWYKK-MRXNPFEDSA-N 1 2 330.476 3.253 20 30 EGEDLO C=CCCC(=O)NCC[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001092484091 1361396290 /nfs/dbraw/zinc/39/62/90/1361396290.db2.gz BQYPWFSTYZBNDK-NVXWUHKLSA-N 1 2 344.503 3.453 20 30 EGEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1CN(c1nc(C)[nH+]c(C)c1C)C2 ZINC001093097774 1361526832 /nfs/dbraw/zinc/52/68/32/1361526832.db2.gz SHVIXRZUAONGID-PXNSSMCTSA-N 1 2 342.487 3.233 20 30 EGEDLO C=CCC(CC=C)C(=O)NC1CC2(C1)CC(Nc1cc[nH+]c(C)n1)C2 ZINC001093439526 1361623643 /nfs/dbraw/zinc/62/36/43/1361623643.db2.gz LOZROFIFJYFNCU-UHFFFAOYSA-N 1 2 340.471 3.393 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H](C)c3cccs3)CC2)C1 ZINC001093572519 1361646710 /nfs/dbraw/zinc/64/67/10/1361646710.db2.gz NUSFKTPDAAKUSD-OAHLLOKOSA-N 1 2 348.512 3.120 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H](C)CC3CCCC3)CC2)C1 ZINC001093578513 1361648260 /nfs/dbraw/zinc/64/82/60/1361648260.db2.gz BCRQNJNPBFLSDN-INIZCTEOSA-N 1 2 334.504 3.081 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@@H]3CCCCC3(C)C)CC2)C1 ZINC001093600671 1361654870 /nfs/dbraw/zinc/65/48/70/1361654870.db2.gz PQVLOPWKAZMXJK-KRWDZBQOSA-N 1 2 348.531 3.471 20 30 EGEDLO C=C[C@H](CC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001095043557 1361996048 /nfs/dbraw/zinc/99/60/48/1361996048.db2.gz ZKSLSAXIEYRYJS-SJLPKXTDSA-N 1 2 336.439 3.158 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccc2)C3)c(F)c1 ZINC001095119212 1362020531 /nfs/dbraw/zinc/02/05/31/1362020531.db2.gz XDKFPLNAVPXFNJ-HOJAQTOUSA-N 1 2 349.409 3.233 20 30 EGEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccc2)C3)c(F)c1 ZINC001095119212 1362020533 /nfs/dbraw/zinc/02/05/33/1362020533.db2.gz XDKFPLNAVPXFNJ-HOJAQTOUSA-N 1 2 349.409 3.233 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095372930 1362118355 /nfs/dbraw/zinc/11/83/55/1362118355.db2.gz OIRSPRJDILPKIK-UHFFFAOYSA-N 1 2 344.503 3.337 20 30 EGEDLO CC1(C)CC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)C1 ZINC001095382477 1362123352 /nfs/dbraw/zinc/12/33/52/1362123352.db2.gz KLIDWPWGQKKVHM-QYZOEREBSA-N 1 2 337.467 3.216 20 30 EGEDLO CC1(C)CC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)C1 ZINC001095382477 1362123354 /nfs/dbraw/zinc/12/33/54/1362123354.db2.gz KLIDWPWGQKKVHM-QYZOEREBSA-N 1 2 337.467 3.216 20 30 EGEDLO C#CCCCCC(=O)NCCCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001095522182 1362161627 /nfs/dbraw/zinc/16/16/27/1362161627.db2.gz FRRINTFHGMAAND-UHFFFAOYSA-N 1 2 330.476 3.045 20 30 EGEDLO CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C1CC1 ZINC001095893744 1362274993 /nfs/dbraw/zinc/27/49/93/1362274993.db2.gz MGNGAQCBOCFNBZ-QYZOEREBSA-N 1 2 337.467 3.216 20 30 EGEDLO CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C1CC1 ZINC001095893744 1362274998 /nfs/dbraw/zinc/27/49/98/1362274998.db2.gz MGNGAQCBOCFNBZ-QYZOEREBSA-N 1 2 337.467 3.216 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(OC)cc1C)C2 ZINC001095952270 1362303730 /nfs/dbraw/zinc/30/37/30/1362303730.db2.gz XETRJSYOENUFAF-COXVUDFISA-N 1 2 334.847 3.091 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(OC)cc1C)C2 ZINC001095952270 1362303734 /nfs/dbraw/zinc/30/37/34/1362303734.db2.gz XETRJSYOENUFAF-COXVUDFISA-N 1 2 334.847 3.091 20 30 EGEDLO CCc1ccoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001095974673 1362318524 /nfs/dbraw/zinc/31/85/24/1362318524.db2.gz UKGNRIRPSPJPTE-QYZOEREBSA-N 1 2 349.434 3.249 20 30 EGEDLO CCc1ccoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001095974673 1362318527 /nfs/dbraw/zinc/31/85/27/1362318527.db2.gz UKGNRIRPSPJPTE-QYZOEREBSA-N 1 2 349.434 3.249 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001096235241 1362447013 /nfs/dbraw/zinc/44/70/13/1362447013.db2.gz ARNLIIARPRZWLF-INIZCTEOSA-N 1 2 330.476 3.089 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)cc1OC)C2 ZINC001096389208 1362484454 /nfs/dbraw/zinc/48/44/54/1362484454.db2.gz NTYMZPWRSUQELI-KBMXLJTQSA-N 1 2 334.847 3.091 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)cc1OC)C2 ZINC001096389208 1362484457 /nfs/dbraw/zinc/48/44/57/1362484457.db2.gz NTYMZPWRSUQELI-KBMXLJTQSA-N 1 2 334.847 3.091 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(C)CCc3ccccc31)C2 ZINC001096642238 1362613139 /nfs/dbraw/zinc/61/31/39/1362613139.db2.gz SDVDBVPNWSQJBU-HGKSCXNLSA-N 1 2 344.886 3.365 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(C)CCc3ccccc31)C2 ZINC001096642238 1362613141 /nfs/dbraw/zinc/61/31/41/1362613141.db2.gz SDVDBVPNWSQJBU-HGKSCXNLSA-N 1 2 344.886 3.365 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CCCC2)C3)c1 ZINC001096715337 1362656826 /nfs/dbraw/zinc/65/68/26/1362656826.db2.gz ZHDROCBRQOQSKN-QRQLOZEOSA-N 1 2 341.430 3.109 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CCCC2)C3)c1 ZINC001096715337 1362656828 /nfs/dbraw/zinc/65/68/28/1362656828.db2.gz ZHDROCBRQOQSKN-QRQLOZEOSA-N 1 2 341.430 3.109 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)o1 ZINC001096932130 1362781365 /nfs/dbraw/zinc/78/13/65/1362781365.db2.gz KROVTXROPMSYBF-AQNXPRMDSA-N 1 2 348.446 3.283 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)o1 ZINC001096932130 1362781367 /nfs/dbraw/zinc/78/13/67/1362781367.db2.gz KROVTXROPMSYBF-AQNXPRMDSA-N 1 2 348.446 3.283 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097222195 1362891682 /nfs/dbraw/zinc/89/16/82/1362891682.db2.gz KIFPJJYCPNBJAS-GASCZTMLSA-N 1 2 328.460 3.324 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097243962 1362899580 /nfs/dbraw/zinc/89/95/80/1362899580.db2.gz USQBMZJAMMMRAP-RUAUBTSSSA-N 1 2 328.460 3.180 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2C[C@@H](Nc3cc(C)[nH+]c(C4CC4)n3)C2)CC1 ZINC001097248461 1362901062 /nfs/dbraw/zinc/90/10/62/1362901062.db2.gz IWVOABSFZYWXSL-IYBDPMFKSA-N 1 2 340.471 3.468 20 30 EGEDLO C=CCCC(=O)NC[C@@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001097281674 1362912411 /nfs/dbraw/zinc/91/24/11/1362912411.db2.gz UCVVONTZKNZNHT-INIZCTEOSA-N 1 2 330.476 3.207 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H]1CCCCN1c1nc(C)[nH+]c(C)c1C ZINC001097410945 1362977931 /nfs/dbraw/zinc/97/79/31/1362977931.db2.gz OCZPMTNCKMMDQO-SFHVURJKSA-N 1 2 342.487 3.071 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1CCCCN1c1nc(C)[nH+]c(C)c1C ZINC001097444461 1362992661 /nfs/dbraw/zinc/99/26/61/1362992661.db2.gz VHBPSGUYTYPLIA-QGZVFWFLSA-N 1 2 330.476 3.233 20 30 EGEDLO C=C(C)CCC(=O)N[C@H](C)[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097534157 1363043304 /nfs/dbraw/zinc/04/33/04/1363043304.db2.gz DZPYNUJNDAOWMH-SJLPKXTDSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3scnc3c1)C2 ZINC001098139209 1363232541 /nfs/dbraw/zinc/23/25/41/1363232541.db2.gz UOSDJIOBAGUQKL-NFAWXSAZSA-N 1 2 347.871 3.384 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3scnc3c1)C2 ZINC001098139209 1363232544 /nfs/dbraw/zinc/23/25/44/1363232544.db2.gz UOSDJIOBAGUQKL-NFAWXSAZSA-N 1 2 347.871 3.384 20 30 EGEDLO C[C@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)n1cc[nH+]c1 ZINC001324414385 1387619322 /nfs/dbraw/zinc/61/93/22/1387619322.db2.gz PJDSJDLDSPUPDB-GFCCVEGCSA-N 1 2 337.408 3.002 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(Cl)cc1)C2 ZINC001098309830 1363293986 /nfs/dbraw/zinc/29/39/86/1363293986.db2.gz KULSJPXPFKLNFZ-OAGGEKHMSA-N 1 2 339.266 3.357 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(Cl)cc1)C2 ZINC001098309830 1363293988 /nfs/dbraw/zinc/29/39/88/1363293988.db2.gz KULSJPXPFKLNFZ-OAGGEKHMSA-N 1 2 339.266 3.357 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H](CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001098570051 1363382151 /nfs/dbraw/zinc/38/21/51/1363382151.db2.gz FEYRQWHIIYMPKV-INIZCTEOSA-N 1 2 342.487 3.281 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001098605382 1363395483 /nfs/dbraw/zinc/39/54/83/1363395483.db2.gz FSBMXDZLVOUUNB-HZPDHXFCSA-N 1 2 328.460 3.468 20 30 EGEDLO Cc1cc(N[C@@H]2CCC[C@H](NC(=O)C#CC(C)C)C2)nc(C(C)C)[nH+]1 ZINC001098621635 1363403289 /nfs/dbraw/zinc/40/32/89/1363403289.db2.gz UIQCZTGSWLOEGH-SJORKVTESA-N 1 2 342.487 3.407 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1CCC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001098636367 1363410293 /nfs/dbraw/zinc/41/02/93/1363410293.db2.gz FFZPVDRVBMGTBA-ZIAGYGMSSA-N 1 2 336.867 3.403 20 30 EGEDLO CC(C)c1ocnc1C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)C#N ZINC001098981501 1363554636 /nfs/dbraw/zinc/55/46/36/1363554636.db2.gz CTDMGQUSYSQAJJ-GJZGRUSLSA-N 1 2 346.475 3.064 20 30 EGEDLO CC(C)c1ocnc1C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)C#N ZINC001098981501 1363554637 /nfs/dbraw/zinc/55/46/37/1363554637.db2.gz CTDMGQUSYSQAJJ-GJZGRUSLSA-N 1 2 346.475 3.064 20 30 EGEDLO C#CCCCCC(=O)NCC[C@@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001099027989 1363583465 /nfs/dbraw/zinc/58/34/65/1363583465.db2.gz XKHYDCCKRRVZNP-OAHLLOKOSA-N 1 2 330.476 3.409 20 30 EGEDLO C=C(Br)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(C)CC1 ZINC001099085338 1363615089 /nfs/dbraw/zinc/61/50/89/1363615089.db2.gz NPIMAFGNNDPLFX-ZDUSSCGKSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(C)CC1 ZINC001099085338 1363615091 /nfs/dbraw/zinc/61/50/91/1363615091.db2.gz NPIMAFGNNDPLFX-ZDUSSCGKSA-N 1 2 343.309 3.302 20 30 EGEDLO Cc1nc(N[C@@H](C)CCNC(=O)C#CC(C)(C)C)c2c([nH+]1)CCCC2 ZINC001099087392 1363616115 /nfs/dbraw/zinc/61/61/15/1363616115.db2.gz QGAQCFBBFKIQRV-AWEZNQCLSA-N 1 2 342.487 3.020 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnc(CC)s2)C1 ZINC001099179084 1363675917 /nfs/dbraw/zinc/67/59/17/1363675917.db2.gz ZVFUTCZIIYLWBN-LRDDRELGSA-N 1 2 339.892 3.042 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnc(CC)s2)C1 ZINC001099179084 1363675919 /nfs/dbraw/zinc/67/59/19/1363675919.db2.gz ZVFUTCZIIYLWBN-LRDDRELGSA-N 1 2 339.892 3.042 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ccon1 ZINC001099189038 1363681593 /nfs/dbraw/zinc/68/15/93/1363681593.db2.gz NVEVEFZUPLFGTH-RDJZCZTQSA-N 1 2 333.476 3.384 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ccon1 ZINC001099189038 1363681594 /nfs/dbraw/zinc/68/15/94/1363681594.db2.gz NVEVEFZUPLFGTH-RDJZCZTQSA-N 1 2 333.476 3.384 20 30 EGEDLO C=CCCC(=O)NCCC[C@@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001099831153 1363953728 /nfs/dbraw/zinc/95/37/28/1363953728.db2.gz FIQWJVUWPQRFJC-QGZVFWFLSA-N 1 2 330.476 3.233 20 30 EGEDLO C=CCC1(C(=O)NCCN(CC)c2nc(C)[nH+]c(C)c2C)CCC1 ZINC001100705276 1364227729 /nfs/dbraw/zinc/22/77/29/1364227729.db2.gz WQKAGQRMVFZCPC-UHFFFAOYSA-N 1 2 330.476 3.091 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CCCN1c1nc(C)[nH+]c2c1CCCC2 ZINC001100899662 1364321033 /nfs/dbraw/zinc/32/10/33/1364321033.db2.gz XFGGRBIAAPHUHO-INIZCTEOSA-N 1 2 342.487 3.105 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001100914762 1364329123 /nfs/dbraw/zinc/32/91/23/1364329123.db2.gz ALEPTNALJZREML-INIZCTEOSA-N 1 2 330.476 3.089 20 30 EGEDLO C#CCCCCC(=O)N1C[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@@]2(C)C1 ZINC001101203116 1364461382 /nfs/dbraw/zinc/46/13/82/1364461382.db2.gz HPEDGCOCQCVNLY-CDBBLFNESA-N 1 2 343.298 3.279 20 30 EGEDLO C#CCCCCC(=O)N1C[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@@]2(C)C1 ZINC001101203116 1364461386 /nfs/dbraw/zinc/46/13/86/1364461386.db2.gz HPEDGCOCQCVNLY-CDBBLFNESA-N 1 2 343.298 3.279 20 30 EGEDLO C=CC[C@@H](Cc1ccccc1)C(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001101651772 1364674241 /nfs/dbraw/zinc/67/42/41/1364674241.db2.gz FZPCSEXOYUJAQL-SFHVURJKSA-N 1 2 338.455 3.090 20 30 EGEDLO C#CCCCC(=O)NCCCN(c1cc(C)[nH+]c(C2CC2)n1)C(C)C ZINC001102098530 1364854590 /nfs/dbraw/zinc/85/45/90/1364854590.db2.gz POCIQHNFSGXLMG-UHFFFAOYSA-N 1 2 342.487 3.187 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCC[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102378124 1365031319 /nfs/dbraw/zinc/03/13/19/1365031319.db2.gz NSDANOVGRITHQC-KDOFPFPSSA-N 1 2 344.503 3.337 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](CC)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001103038198 1365350060 /nfs/dbraw/zinc/35/00/60/1365350060.db2.gz NMTZXFSRLQNAEZ-MRXNPFEDSA-N 1 2 342.487 3.164 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H](CC)Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001103307284 1365484921 /nfs/dbraw/zinc/48/49/21/1365484921.db2.gz KEJBJQYJCOHYSD-OAHLLOKOSA-N 1 2 328.460 3.325 20 30 EGEDLO C#CCCCC(=O)N[C@](C)(CNc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001103526517 1365613386 /nfs/dbraw/zinc/61/33/86/1365613386.db2.gz SFOXJSZNEZBRJV-HXUWFJFHSA-N 1 2 340.471 3.163 20 30 EGEDLO CC#CCCCC(=O)N[C@]1(CNc2cc[nH+]c(C)n2)CCCC[C@H]1C ZINC001103603366 1365668989 /nfs/dbraw/zinc/66/89/89/1365668989.db2.gz DEWYKFFDXZAWTE-UZLBHIALSA-N 1 2 342.487 3.456 20 30 EGEDLO C=CCCC(=O)NCCC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001103676434 1365722545 /nfs/dbraw/zinc/72/25/45/1365722545.db2.gz DHVBRJXUHVRJJL-UHFFFAOYSA-N 1 2 330.476 3.091 20 30 EGEDLO C=CCCC1(C(=O)NCCC2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC001103700652 1365739317 /nfs/dbraw/zinc/73/93/17/1365739317.db2.gz XSSZSPLEMWXHGV-UHFFFAOYSA-N 1 2 342.487 3.254 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCC[C@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001103767234 1365773248 /nfs/dbraw/zinc/77/32/48/1365773248.db2.gz FWJUZMZHGWNSGT-QGZVFWFLSA-N 1 2 344.503 3.479 20 30 EGEDLO C=CCCC(=O)N1CCC2(CCN(c3nc(C)[nH+]c(C)c3C)C2)CC1 ZINC001103827335 1365800270 /nfs/dbraw/zinc/80/02/70/1365800270.db2.gz AINZZJXOPOGVLT-UHFFFAOYSA-N 1 2 342.487 3.187 20 30 EGEDLO C=CCOCCCC(=O)NC[C@@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001103905022 1365829563 /nfs/dbraw/zinc/82/95/63/1365829563.db2.gz APYYLHBFTCMIDY-HNNXBMFYSA-N 1 2 348.491 3.055 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001103924295 1365835764 /nfs/dbraw/zinc/83/57/64/1365835764.db2.gz HQQKFGJZHFWPCB-OAHLLOKOSA-N 1 2 342.487 3.022 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104097985 1365910258 /nfs/dbraw/zinc/91/02/58/1365910258.db2.gz KNZMAMZPYGLSPT-AWEZNQCLSA-N 1 2 330.476 3.184 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104151359 1365927530 /nfs/dbraw/zinc/92/75/30/1365927530.db2.gz KCKZLCJOMGHOOH-CQSZACIVSA-N 1 2 344.503 3.430 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@@H](CNc1cc[nH+]c(C)n1)CC(C)C ZINC001105001068 1366267569 /nfs/dbraw/zinc/26/75/69/1366267569.db2.gz BVMZRSZBAOFAFP-MRXNPFEDSA-N 1 2 341.459 3.029 20 30 EGEDLO Cc1cc(N[C@H]2CCN(C(=O)C#CC(C)C)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC001105042935 1366289555 /nfs/dbraw/zinc/28/95/55/1366289555.db2.gz GVHPGZMDIBNVDH-WBVHZDCISA-N 1 2 342.487 3.217 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC(CCN(C)c2cc[nH+]c(C)n2)CC1 ZINC001105100960 1366328432 /nfs/dbraw/zinc/32/84/32/1366328432.db2.gz RBWDASRIIAWACE-HOTGVXAUSA-N 1 2 344.503 3.308 20 30 EGEDLO C#CCC1(C(=O)NC[C@H](Nc2cc[nH+]c(C)n2)C(C)C)CCCCC1 ZINC001105199378 1366368396 /nfs/dbraw/zinc/36/83/96/1366368396.db2.gz RTJKPUJSYGAHMD-KRWDZBQOSA-N 1 2 342.487 3.312 20 30 EGEDLO C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)C(F)C(F)(F)F)CCC1 ZINC001105539197 1366518379 /nfs/dbraw/zinc/51/83/79/1366518379.db2.gz BCKRVALVNCVXQI-OLZOCXBDSA-N 1 2 336.373 3.214 20 30 EGEDLO C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H](F)C(F)(F)F)CCC1 ZINC001105539197 1366518380 /nfs/dbraw/zinc/51/83/80/1366518380.db2.gz BCKRVALVNCVXQI-OLZOCXBDSA-N 1 2 336.373 3.214 20 30 EGEDLO C=CCCC1(C(=O)N(C)CCN(C)c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001105546058 1366522583 /nfs/dbraw/zinc/52/25/83/1366522583.db2.gz WMEMMJYUTUOAIV-UHFFFAOYSA-N 1 2 342.487 3.303 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CCC[C@@H]1CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001105652699 1366560698 /nfs/dbraw/zinc/56/06/98/1366560698.db2.gz UJQYSXNKYCXALL-IAGOWNOFSA-N 1 2 342.487 3.409 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H](C)C(CC)CC)CC2)C1 ZINC001105714305 1366582007 /nfs/dbraw/zinc/58/20/07/1366582007.db2.gz SUHNVXQZWQHYIJ-INIZCTEOSA-N 1 2 336.520 3.327 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C(C)(C)CCCCC)CC2)C1 ZINC001105733921 1366589011 /nfs/dbraw/zinc/58/90/11/1366589011.db2.gz QREXVPDIOOYMKA-UHFFFAOYSA-N 1 2 336.520 3.471 20 30 EGEDLO C=CCOCC(=O)N[C@H](C)CCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001106242238 1366632487 /nfs/dbraw/zinc/63/24/87/1366632487.db2.gz CNBBCOQDGOYVMW-OAHLLOKOSA-N 1 2 348.491 3.233 20 30 EGEDLO CC#CCCCC(=O)N[C@@H](C)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106530161 1366724089 /nfs/dbraw/zinc/72/40/89/1366724089.db2.gz VBNBWGVPKWXVBH-AWEZNQCLSA-N 1 2 328.460 3.163 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NC/C=C\CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107456734 1366969844 /nfs/dbraw/zinc/96/98/44/1366969844.db2.gz SZZQOMUHRAKEJX-CZNUNWFBSA-N 1 2 328.460 3.205 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NC/C=C/CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001107456802 1366970452 /nfs/dbraw/zinc/97/04/52/1366970452.db2.gz VKALEOXTASNNPR-IVFUDNFBSA-N 1 2 330.476 3.451 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC/C=C\CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107464121 1366973880 /nfs/dbraw/zinc/97/38/80/1366973880.db2.gz QLMANXDRIYVFBM-HLRDLLSLSA-N 1 2 342.487 3.350 20 30 EGEDLO CC#CCCCC(=O)N[C@H](C)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001109207237 1367001944 /nfs/dbraw/zinc/00/19/44/1367001944.db2.gz CFFJDCUWQILUBF-MRXNPFEDSA-N 1 2 330.476 3.043 20 30 EGEDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109259572 1367031249 /nfs/dbraw/zinc/03/12/49/1367031249.db2.gz ITUWWEDPSLUQMT-CJCLCCARSA-N 1 2 344.405 3.161 20 30 EGEDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109259572 1367031255 /nfs/dbraw/zinc/03/12/55/1367031255.db2.gz ITUWWEDPSLUQMT-CJCLCCARSA-N 1 2 344.405 3.161 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001109338727 1367065113 /nfs/dbraw/zinc/06/51/13/1367065113.db2.gz TZBVEXOEVUUNLP-IKGGRYGDSA-N 1 2 331.435 3.045 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1 ZINC001109338727 1367065119 /nfs/dbraw/zinc/06/51/19/1367065119.db2.gz TZBVEXOEVUUNLP-IKGGRYGDSA-N 1 2 331.435 3.045 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001109348696 1367078077 /nfs/dbraw/zinc/07/80/77/1367078077.db2.gz JLFFCBJQZWPCKA-HZPDHXFCSA-N 1 2 330.476 3.474 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2csc(C3CC3)n2)C1 ZINC001189704699 1367090929 /nfs/dbraw/zinc/09/09/29/1367090929.db2.gz DHJRKDBUVFIFIV-QGZVFWFLSA-N 1 2 345.512 3.247 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2csc(C3CC3)n2)C1 ZINC001189704699 1367090933 /nfs/dbraw/zinc/09/09/33/1367090933.db2.gz DHJRKDBUVFIFIV-QGZVFWFLSA-N 1 2 345.512 3.247 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2c(F)cccc2F)C1 ZINC001190005362 1367149729 /nfs/dbraw/zinc/14/97/29/1367149729.db2.gz ZVDGRCOOUMFBOU-HUUCEWRRSA-N 1 2 334.410 3.218 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2c(F)cccc2F)C1 ZINC001190005362 1367149735 /nfs/dbraw/zinc/14/97/35/1367149735.db2.gz ZVDGRCOOUMFBOU-HUUCEWRRSA-N 1 2 334.410 3.218 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccc(C)cc1)C2 ZINC001109504999 1367163403 /nfs/dbraw/zinc/16/34/03/1367163403.db2.gz ZEWBZQOVHWVLSS-SQNIBIBYSA-N 1 2 332.875 3.402 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccc(C)cc1)C2 ZINC001109504999 1367163408 /nfs/dbraw/zinc/16/34/08/1367163408.db2.gz ZEWBZQOVHWVLSS-SQNIBIBYSA-N 1 2 332.875 3.402 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N(C)CCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001109586716 1367212902 /nfs/dbraw/zinc/21/29/02/1367212902.db2.gz IWQDQITWDANMEZ-LSDHHAIUSA-N 1 2 344.503 3.382 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1F ZINC001109627122 1367245530 /nfs/dbraw/zinc/24/55/30/1367245530.db2.gz APJBOMSIMFRTGC-NJAFHUGGSA-N 1 2 346.421 3.380 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1F ZINC001109627122 1367245533 /nfs/dbraw/zinc/24/55/33/1367245533.db2.gz APJBOMSIMFRTGC-NJAFHUGGSA-N 1 2 346.421 3.380 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001109632831 1367252398 /nfs/dbraw/zinc/25/23/98/1367252398.db2.gz FIIOSLJBHWZULD-AWOKKLPBSA-N 1 2 331.460 3.115 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001109632831 1367252402 /nfs/dbraw/zinc/25/24/02/1367252402.db2.gz FIIOSLJBHWZULD-AWOKKLPBSA-N 1 2 331.460 3.115 20 30 EGEDLO C#CCCCCCC(=O)N[C@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001108046703 1367256806 /nfs/dbraw/zinc/25/68/06/1367256806.db2.gz HBBHMMCUDPYVLU-MRXNPFEDSA-N 1 2 330.476 3.409 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C2CC(C)(C)CC(C)(C)C2)C1 ZINC001108098839 1367281299 /nfs/dbraw/zinc/28/12/99/1367281299.db2.gz AUDBMBUKGGTYPC-OAQYLSRUSA-N 1 2 348.531 3.069 20 30 EGEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C2CC(C)(C)CC(C)(C)C2)C1 ZINC001108098839 1367281302 /nfs/dbraw/zinc/28/13/02/1367281302.db2.gz AUDBMBUKGGTYPC-OAQYLSRUSA-N 1 2 348.531 3.069 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2c(Cl)oc3ccccc32)C1 ZINC001108154941 1367315082 /nfs/dbraw/zinc/31/50/82/1367315082.db2.gz KQOVHGJDDKYFTE-GOSISDBHSA-N 1 2 348.830 3.093 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2c(Cl)oc3ccccc32)C1 ZINC001108154941 1367315086 /nfs/dbraw/zinc/31/50/86/1367315086.db2.gz KQOVHGJDDKYFTE-GOSISDBHSA-N 1 2 348.830 3.093 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)c1cccnc1)C2 ZINC001109802596 1367331434 /nfs/dbraw/zinc/33/14/34/1367331434.db2.gz YIUSNXRMSNVYNC-IEAZIUSSSA-N 1 2 333.863 3.049 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)c1cccnc1)C2 ZINC001109802596 1367331443 /nfs/dbraw/zinc/33/14/43/1367331443.db2.gz YIUSNXRMSNVYNC-IEAZIUSSSA-N 1 2 333.863 3.049 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H](CC)c2ccc(C)cc2)C1 ZINC001108211353 1367344659 /nfs/dbraw/zinc/34/46/59/1367344659.db2.gz PTEDEFYXJLNAFX-RXVVDRJESA-N 1 2 344.499 3.272 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H](CC)c2ccc(C)cc2)C1 ZINC001108211353 1367344663 /nfs/dbraw/zinc/34/46/63/1367344663.db2.gz PTEDEFYXJLNAFX-RXVVDRJESA-N 1 2 344.499 3.272 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(C)c3ccccc23)C1 ZINC001108246291 1367359067 /nfs/dbraw/zinc/35/90/67/1367359067.db2.gz IKLMNBKQQQREGD-OAQYLSRUSA-N 1 2 338.451 3.155 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(C)c3ccccc23)C1 ZINC001108246291 1367359072 /nfs/dbraw/zinc/35/90/72/1367359072.db2.gz IKLMNBKQQQREGD-OAQYLSRUSA-N 1 2 338.451 3.155 20 30 EGEDLO C#CCC1(C(=O)N[C@H](CNc2cc[nH+]c(C)n2)C2CC2)CCCCC1 ZINC001109864317 1367369976 /nfs/dbraw/zinc/36/99/76/1367369976.db2.gz XOOYNKRLUBAAND-QGZVFWFLSA-N 1 2 340.471 3.066 20 30 EGEDLO CCCCCCCCNC(=O)Nc1cc[nH+]c(N2CCOCC2)c1 ZINC001191053016 1367412515 /nfs/dbraw/zinc/41/25/15/1367412515.db2.gz WZGCDEHNMRUGEC-UHFFFAOYSA-N 1 2 334.464 3.400 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2c(Cl)cccc2Cl)C1 ZINC001108363751 1367413665 /nfs/dbraw/zinc/41/36/65/1367413665.db2.gz BUHRRUIVYBOYQE-INIZCTEOSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2c(Cl)cccc2Cl)C1 ZINC001108363751 1367413669 /nfs/dbraw/zinc/41/36/69/1367413669.db2.gz BUHRRUIVYBOYQE-INIZCTEOSA-N 1 2 343.254 3.000 20 30 EGEDLO CC#CCCCC(=O)N[C@@H](CNc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001109958882 1367427182 /nfs/dbraw/zinc/42/71/82/1367427182.db2.gz SGHMHYDTBVIKKK-KRWDZBQOSA-N 1 2 342.487 3.409 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@H](CC)C1 ZINC001110032868 1367469828 /nfs/dbraw/zinc/46/98/28/1367469828.db2.gz BAXRKUYWRHVEIP-SJORKVTESA-N 1 2 328.460 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCOc1cccc(C)c1)C2 ZINC001110096274 1367501751 /nfs/dbraw/zinc/50/17/51/1367501751.db2.gz AWUKDIJABVGBRO-NJAFHUGGSA-N 1 2 348.874 3.238 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCOc1cccc(C)c1)C2 ZINC001110096274 1367501755 /nfs/dbraw/zinc/50/17/55/1367501755.db2.gz AWUKDIJABVGBRO-NJAFHUGGSA-N 1 2 348.874 3.238 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)COc1ccccc1)C2 ZINC001110106592 1367505526 /nfs/dbraw/zinc/50/55/26/1367505526.db2.gz XZQIEJLJUBMCDK-DHXZDTOLSA-N 1 2 348.874 3.176 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)COc1ccccc1)C2 ZINC001110106592 1367505530 /nfs/dbraw/zinc/50/55/30/1367505530.db2.gz XZQIEJLJUBMCDK-DHXZDTOLSA-N 1 2 348.874 3.176 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@@H](C)CNc2cc(C)[nH+]c(C(C)C)n2)cc1 ZINC001108648101 1367514403 /nfs/dbraw/zinc/51/44/03/1367514403.db2.gz XNPPWGBZRIJPOX-HNNXBMFYSA-N 1 2 336.439 3.120 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cc1ccccc1)C2 ZINC001110130263 1367514570 /nfs/dbraw/zinc/51/45/70/1367514570.db2.gz ZZOTYNXCHJBJAE-NBMRYCAZSA-N 1 2 332.875 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cc1ccccc1)C2 ZINC001110130263 1367514572 /nfs/dbraw/zinc/51/45/72/1367514572.db2.gz ZZOTYNXCHJBJAE-NBMRYCAZSA-N 1 2 332.875 3.339 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccncc2Cl)C1 ZINC001191868309 1367621955 /nfs/dbraw/zinc/62/19/55/1367621955.db2.gz RMJUZYTVGIJPHG-GOEBONIOSA-N 1 2 335.879 3.370 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccncc2Cl)C1 ZINC001191868309 1367621957 /nfs/dbraw/zinc/62/19/57/1367621957.db2.gz RMJUZYTVGIJPHG-GOEBONIOSA-N 1 2 335.879 3.370 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCC1(Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001110304565 1367626270 /nfs/dbraw/zinc/62/62/70/1367626270.db2.gz IMYFICYTBHODRQ-ZDUSSCGKSA-N 1 2 328.460 3.325 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2csc(CC)n2)C1 ZINC001191911397 1367635678 /nfs/dbraw/zinc/63/56/78/1367635678.db2.gz FPNUNVBGSLMDCY-GDBMZVCRSA-N 1 2 335.517 3.341 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2csc(CC)n2)C1 ZINC001191911397 1367635681 /nfs/dbraw/zinc/63/56/81/1367635681.db2.gz FPNUNVBGSLMDCY-GDBMZVCRSA-N 1 2 335.517 3.341 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001191912857 1367637146 /nfs/dbraw/zinc/63/71/46/1367637146.db2.gz RGLGLHHAGFSRCK-ZBFHGGJFSA-N 1 2 331.460 3.187 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001191912857 1367637151 /nfs/dbraw/zinc/63/71/51/1367637151.db2.gz RGLGLHHAGFSRCK-ZBFHGGJFSA-N 1 2 331.460 3.187 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(O)ccc1Cl ZINC001110379106 1367679304 /nfs/dbraw/zinc/67/93/04/1367679304.db2.gz WHBACUGLEKDEKW-XYPHTWIQSA-N 1 2 334.847 3.233 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(O)ccc1Cl ZINC001110379106 1367679310 /nfs/dbraw/zinc/67/93/10/1367679310.db2.gz WHBACUGLEKDEKW-XYPHTWIQSA-N 1 2 334.847 3.233 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ncc(CC)o3)C2)CC1 ZINC001192180336 1367708242 /nfs/dbraw/zinc/70/82/42/1367708242.db2.gz HWHZDKRASUJKBH-OAHLLOKOSA-N 1 2 331.460 3.016 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3ncc(CC)o3)C2)CC1 ZINC001192180336 1367708244 /nfs/dbraw/zinc/70/82/44/1367708244.db2.gz HWHZDKRASUJKBH-OAHLLOKOSA-N 1 2 331.460 3.016 20 30 EGEDLO C=CCCC(=O)N1CCC2(C1)CCN(c1nc(C)[nH+]c(C)c1C)CC2 ZINC001110460035 1367748376 /nfs/dbraw/zinc/74/83/76/1367748376.db2.gz PJFIPVZHJBAWJM-UHFFFAOYSA-N 1 2 342.487 3.187 20 30 EGEDLO C=CCCC(=O)N1CC[C@]2(CCN(c3cc(C)[nH+]c(C4CC4)n3)C2)C1 ZINC001110469308 1367758960 /nfs/dbraw/zinc/75/89/60/1367758960.db2.gz YFVIYNINYICKPA-FQEVSTJZSA-N 1 2 340.471 3.057 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]2CCN(c3cc(C)[nH+]c(C4CC4)n3)[C@@H]2C1 ZINC001110488531 1367775781 /nfs/dbraw/zinc/77/57/81/1367775781.db2.gz UQEIQVBRWPSEQN-NVXWUHKLSA-N 1 2 340.471 3.056 20 30 EGEDLO Cc1nc(N[C@H]2CCN(C(=O)CC#Cc3ccccc3)[C@@H](C)C2)cc[nH+]1 ZINC001110514586 1367796240 /nfs/dbraw/zinc/79/62/40/1367796240.db2.gz GZQKSZCAMNYZIO-LPHOPBHVSA-N 1 2 348.450 3.018 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2csc(CC)n2)C1 ZINC001192578308 1367823151 /nfs/dbraw/zinc/82/31/51/1367823151.db2.gz OTGURSSKVXGANU-HNNXBMFYSA-N 1 2 335.517 3.341 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2csc(CC)n2)C1 ZINC001192578308 1367823154 /nfs/dbraw/zinc/82/31/54/1367823154.db2.gz OTGURSSKVXGANU-HNNXBMFYSA-N 1 2 335.517 3.341 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)OCc1ccccc1)C2 ZINC001110801225 1367998709 /nfs/dbraw/zinc/99/87/09/1367998709.db2.gz WOWIJVIHLPJTIG-HPBDAGMYSA-N 1 2 348.874 3.066 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)OCc1ccccc1)C2 ZINC001110801225 1367998716 /nfs/dbraw/zinc/99/87/16/1367998716.db2.gz WOWIJVIHLPJTIG-HPBDAGMYSA-N 1 2 348.874 3.066 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(Cl)n1 ZINC001110897159 1368070831 /nfs/dbraw/zinc/07/08/31/1368070831.db2.gz CXJHMJTUGBLJEC-KFWWJZLASA-N 1 2 333.863 3.169 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(Cl)n1 ZINC001110897159 1368070835 /nfs/dbraw/zinc/07/08/35/1368070835.db2.gz CXJHMJTUGBLJEC-KFWWJZLASA-N 1 2 333.863 3.169 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)sc1C ZINC001110964474 1368127242 /nfs/dbraw/zinc/12/72/42/1368127242.db2.gz MHEWBZLCBQFKSH-INMHGKMJSA-N 1 2 333.501 3.338 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)sc1C ZINC001110964474 1368127244 /nfs/dbraw/zinc/12/72/44/1368127244.db2.gz MHEWBZLCBQFKSH-INMHGKMJSA-N 1 2 333.501 3.338 20 30 EGEDLO C=CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cc(C)[nH+]c(C3CC3)n1)C2 ZINC001111151065 1368166799 /nfs/dbraw/zinc/16/67/99/1368166799.db2.gz WASODDBCSFUYKH-XIRDDKMYSA-N 1 2 340.471 3.102 20 30 EGEDLO C#CCCCC(=O)N1C[C@H](C)[C@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001111246528 1368215669 /nfs/dbraw/zinc/21/56/69/1368215669.db2.gz BPPAESRTVQFGOL-DOTOQJQBSA-N 1 2 342.487 3.218 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)[C@H](C)c3nnc(C)o3)C2)CCCC1 ZINC001194569405 1368288858 /nfs/dbraw/zinc/28/88/58/1368288858.db2.gz ZJUZIXGQNSLYIK-GDBMZVCRSA-N 1 2 346.475 3.108 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)[C@H](C)c3nnc(C)o3)C2)CCCC1 ZINC001194569405 1368288861 /nfs/dbraw/zinc/28/88/61/1368288861.db2.gz ZJUZIXGQNSLYIK-GDBMZVCRSA-N 1 2 346.475 3.108 20 30 EGEDLO CCCCCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001194876338 1368339983 /nfs/dbraw/zinc/33/99/83/1368339983.db2.gz PKHJBNJWOLQGTR-UHFFFAOYSA-N 1 2 331.435 3.312 20 30 EGEDLO CCCCCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001194876338 1368339986 /nfs/dbraw/zinc/33/99/86/1368339986.db2.gz PKHJBNJWOLQGTR-UHFFFAOYSA-N 1 2 331.435 3.312 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2Cl)CC1 ZINC001195645548 1368464811 /nfs/dbraw/zinc/46/48/11/1368464811.db2.gz ULVBLWKEUGGWCF-UHFFFAOYSA-N 1 2 336.838 3.317 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2Cl)CC1 ZINC001195645548 1368464812 /nfs/dbraw/zinc/46/48/12/1368464812.db2.gz ULVBLWKEUGGWCF-UHFFFAOYSA-N 1 2 336.838 3.317 20 30 EGEDLO Cc1cc(NC2(CNC(=O)C#CC(C)(C)C)CCC2)nc(C(C)C)[nH+]1 ZINC001111800931 1368467863 /nfs/dbraw/zinc/46/78/63/1368467863.db2.gz WNSZGWYQBMJLBE-UHFFFAOYSA-N 1 2 342.487 3.409 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@H+](Cc2nsc3ccccc32)CC1 ZINC001195674751 1368470465 /nfs/dbraw/zinc/47/04/65/1368470465.db2.gz LBVGPQGBESHQQF-UHFFFAOYSA-N 1 2 341.480 3.134 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@@H+](Cc2nsc3ccccc32)CC1 ZINC001195674751 1368470467 /nfs/dbraw/zinc/47/04/67/1368470467.db2.gz LBVGPQGBESHQQF-UHFFFAOYSA-N 1 2 341.480 3.134 20 30 EGEDLO C#CCC1(C(=O)NCC2(Nc3cc[nH+]c(C)n3)CCC2)CCCCC1 ZINC001111820635 1368481690 /nfs/dbraw/zinc/48/16/90/1368481690.db2.gz NZMPHCYZDUDZRN-UHFFFAOYSA-N 1 2 340.471 3.210 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[N@@H+]([C@@H](C)c2nc3ccccc3o2)CC1 ZINC001195775338 1368487534 /nfs/dbraw/zinc/48/75/34/1368487534.db2.gz WPWMFKZQLMYRNF-INIZCTEOSA-N 1 2 339.439 3.083 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[N@H+]([C@@H](C)c2nc3ccccc3o2)CC1 ZINC001195775338 1368487536 /nfs/dbraw/zinc/48/75/36/1368487536.db2.gz WPWMFKZQLMYRNF-INIZCTEOSA-N 1 2 339.439 3.083 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[N@@H+]([C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC001195775247 1368487540 /nfs/dbraw/zinc/48/75/40/1368487540.db2.gz SCPPJVPMNQFQDA-GOSISDBHSA-N 1 2 346.421 3.146 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[N@H+]([C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC001195775247 1368487541 /nfs/dbraw/zinc/48/75/41/1368487541.db2.gz SCPPJVPMNQFQDA-GOSISDBHSA-N 1 2 346.421 3.146 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC[N@H+](Cc2cc(C3CC3)no2)CC1 ZINC001195966802 1368524808 /nfs/dbraw/zinc/52/48/08/1368524808.db2.gz XSGWRHUYHLGJLB-UHFFFAOYSA-N 1 2 343.471 3.355 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC[N@@H+](Cc2cc(C3CC3)no2)CC1 ZINC001195966802 1368524812 /nfs/dbraw/zinc/52/48/12/1368524812.db2.gz XSGWRHUYHLGJLB-UHFFFAOYSA-N 1 2 343.471 3.355 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001196011090 1368535466 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EGEDLO CC#CCCCC(=O)N1CCC[N@H+](Cc2ccc(F)c(F)c2)CC1 ZINC001196838195 1368695649 /nfs/dbraw/zinc/69/56/49/1368695649.db2.gz CSXFGCMWZUPPSB-UHFFFAOYSA-N 1 2 334.410 3.193 20 30 EGEDLO CC#CCCCC(=O)N1CCC[N@@H+](Cc2ccc(F)c(F)c2)CC1 ZINC001196838195 1368695653 /nfs/dbraw/zinc/69/56/53/1368695653.db2.gz CSXFGCMWZUPPSB-UHFFFAOYSA-N 1 2 334.410 3.193 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[N@H+](Cc2cc(C3CC3)no2)CC1 ZINC001196890360 1368707070 /nfs/dbraw/zinc/70/70/70/1368707070.db2.gz OOCHRTURGWTVBD-OAHLLOKOSA-N 1 2 331.460 3.189 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[N@@H+](Cc2cc(C3CC3)no2)CC1 ZINC001196890360 1368707072 /nfs/dbraw/zinc/70/70/72/1368707072.db2.gz OOCHRTURGWTVBD-OAHLLOKOSA-N 1 2 331.460 3.189 20 30 EGEDLO C#CCCCCC(=O)N1C[C@H](C)[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001112309180 1368758968 /nfs/dbraw/zinc/75/89/68/1368758968.db2.gz VHSUPQLNCUTSBH-WMLDXEAASA-N 1 2 340.471 3.115 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@H](C)[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001112325029 1368766610 /nfs/dbraw/zinc/76/66/10/1368766610.db2.gz GHOREMFLXIVWGP-XJKSGUPXSA-N 1 2 328.460 3.278 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)[C@@H](C)C1 ZINC001112477042 1368876143 /nfs/dbraw/zinc/87/61/43/1368876143.db2.gz QQEPWMHOZBQVMV-JKSUJKDBSA-N 1 2 330.476 3.348 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001112799942 1369013086 /nfs/dbraw/zinc/01/30/86/1369013086.db2.gz CKBTUJMNEBFMAW-QGZVFWFLSA-N 1 2 330.476 3.185 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@@H+](Cc3conc3C)CC2)CCCC1 ZINC001198418049 1369026945 /nfs/dbraw/zinc/02/69/45/1369026945.db2.gz WBANKMZGQVYABL-UHFFFAOYSA-N 1 2 331.460 3.154 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@H+](Cc3conc3C)CC2)CCCC1 ZINC001198418049 1369026950 /nfs/dbraw/zinc/02/69/50/1369026950.db2.gz WBANKMZGQVYABL-UHFFFAOYSA-N 1 2 331.460 3.154 20 30 EGEDLO CC(C)C#CC(=O)N1CC[NH+](Cc2ccc(CC(C)C)cc2)CC1 ZINC001112833392 1369034058 /nfs/dbraw/zinc/03/40/58/1369034058.db2.gz WIUWUJACHXGIEE-UHFFFAOYSA-N 1 2 326.484 3.189 20 30 EGEDLO C=C(C)CCC(=O)NC1CC(CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001112855680 1369049342 /nfs/dbraw/zinc/04/93/42/1369049342.db2.gz FZZWYBVYHJONMU-UHFFFAOYSA-N 1 2 328.460 3.325 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[NH+](CCOc2cc(C)ccc2C)CC1 ZINC001112897872 1369078541 /nfs/dbraw/zinc/07/85/41/1369078541.db2.gz BQQJAIWKPVYLJA-UHFFFAOYSA-N 1 2 344.499 3.429 20 30 EGEDLO C#CCC1(C(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)CCC1 ZINC001112950747 1369105878 /nfs/dbraw/zinc/10/58/78/1369105878.db2.gz DLHALJLDJFXIDK-QGZVFWFLSA-N 1 2 340.467 3.094 20 30 EGEDLO C#CCCCCC(=O)N[C@@H](C)[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001112973900 1369118692 /nfs/dbraw/zinc/11/86/92/1369118692.db2.gz QRJZTNMENMRSOU-GJZGRUSLSA-N 1 2 342.487 3.163 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C)c(OC)c2)CC1 ZINC001113229575 1369277316 /nfs/dbraw/zinc/27/73/16/1369277316.db2.gz MPCNJCGRKIATPB-DOTOQJQBSA-N 1 2 330.472 3.106 20 30 EGEDLO CCCCCCC[NH2+]C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001200669509 1369409752 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C=C(C)C(C)(C)C(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001113817581 1369620756 /nfs/dbraw/zinc/62/07/56/1369620756.db2.gz NCVUQQIYCWCLDA-OAHLLOKOSA-N 1 2 332.492 3.452 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001113823011 1369624176 /nfs/dbraw/zinc/62/41/76/1369624176.db2.gz YEMAJLVYAFQCMT-HUUCEWRRSA-N 1 2 330.476 3.206 20 30 EGEDLO CCCCCCCCCCS(=O)(=O)N1CCc2[nH+]ccn2CC1 ZINC001201837061 1369631653 /nfs/dbraw/zinc/63/16/53/1369631653.db2.gz RZCGCFXIBSNCQE-UHFFFAOYSA-N 1 2 341.521 3.212 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CN(c2nc(C)[nH+]c(C)c2C)CC[C@H]1C ZINC001114054378 1369706921 /nfs/dbraw/zinc/70/69/21/1369706921.db2.gz BREFBUQSNQOILR-DYVFJYSZSA-N 1 2 344.503 3.335 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001114470854 1369963310 /nfs/dbraw/zinc/96/33/10/1369963310.db2.gz RWSBJKZLGKPOBF-MRXNPFEDSA-N 1 2 344.503 3.335 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CN(c3cc[nH+]c(C)n3)C[C@@H]2C1 ZINC001114656856 1370009816 /nfs/dbraw/zinc/00/98/16/1370009816.db2.gz MXRWWGVHJOPEOP-YESZJQIVSA-N 1 2 342.487 3.108 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001114672725 1370018930 /nfs/dbraw/zinc/01/89/30/1370018930.db2.gz UGHDZEIJEGSXFK-HALDLXJZSA-N 1 2 345.487 3.121 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001114672725 1370018933 /nfs/dbraw/zinc/01/89/33/1370018933.db2.gz UGHDZEIJEGSXFK-HALDLXJZSA-N 1 2 345.487 3.121 20 30 EGEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1Cc1cc(C)ccc1C ZINC001203748149 1370247124 /nfs/dbraw/zinc/24/71/24/1370247124.db2.gz MPSRSJPLQYNQHH-LJQANCHMSA-N 1 2 340.471 3.217 20 30 EGEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1Cc1cc(C)ccc1C ZINC001203748149 1370247128 /nfs/dbraw/zinc/24/71/28/1370247128.db2.gz MPSRSJPLQYNQHH-LJQANCHMSA-N 1 2 340.471 3.217 20 30 EGEDLO C#CCCCCC(=O)N1CCC(N(C)c2nc(C)[nH+]c(C)c2C)CC1 ZINC001115134224 1370300361 /nfs/dbraw/zinc/30/03/61/1370300361.db2.gz CYHOPENORCQYAL-UHFFFAOYSA-N 1 2 342.487 3.023 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](CC)C(C)C ZINC001115135671 1370301911 /nfs/dbraw/zinc/30/19/11/1370301911.db2.gz DUFRSMAOVGCAOV-NYTXWWLZSA-N 1 2 343.309 3.014 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](CC)C(C)C ZINC001115135671 1370301915 /nfs/dbraw/zinc/30/19/15/1370301915.db2.gz DUFRSMAOVGCAOV-NYTXWWLZSA-N 1 2 343.309 3.014 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3coc(C)n3)C[C@H]21 ZINC001115163309 1370321831 /nfs/dbraw/zinc/32/18/31/1370321831.db2.gz FAHQKVPMFJXGTI-DZFIZOCASA-N 1 2 333.476 3.280 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3coc(C)n3)C[C@H]21 ZINC001115163309 1370321835 /nfs/dbraw/zinc/32/18/35/1370321835.db2.gz FAHQKVPMFJXGTI-DZFIZOCASA-N 1 2 333.476 3.280 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)C(C)(C)C ZINC001115172822 1370326015 /nfs/dbraw/zinc/32/60/15/1370326015.db2.gz XAMZZTXNJRXSDS-PBOSXPJTSA-N 1 2 343.309 3.014 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)C(C)(C)C ZINC001115172822 1370326016 /nfs/dbraw/zinc/32/60/16/1370326016.db2.gz XAMZZTXNJRXSDS-PBOSXPJTSA-N 1 2 343.309 3.014 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2Cc3nn(CC)cc3[C@H](COC)C2)cc1 ZINC001204299606 1370435311 /nfs/dbraw/zinc/43/53/11/1370435311.db2.gz CPZGPJQHFVLRFG-KRWDZBQOSA-N 1 2 341.455 3.214 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2Cc3nn(CC)cc3[C@H](COC)C2)cc1 ZINC001204299606 1370435315 /nfs/dbraw/zinc/43/53/15/1370435315.db2.gz CPZGPJQHFVLRFG-KRWDZBQOSA-N 1 2 341.455 3.214 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3csc(C(C)(C)C)n3)C[C@H]21 ZINC001187209732 1388072368 /nfs/dbraw/zinc/07/23/68/1388072368.db2.gz PFBAYMIBKFNHKS-GOEBONIOSA-N 1 2 347.528 3.440 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](Cc3csc(C(C)(C)C)n3)C[C@H]21 ZINC001187209732 1388072373 /nfs/dbraw/zinc/07/23/73/1388072373.db2.gz PFBAYMIBKFNHKS-GOEBONIOSA-N 1 2 347.528 3.440 20 30 EGEDLO C=CCCC(=O)NCC1([NH2+]Cc2noc(C3CCC3)n2)CCCCC1 ZINC001115442770 1370455167 /nfs/dbraw/zinc/45/51/67/1370455167.db2.gz QGFWJYVPGBJIGD-UHFFFAOYSA-N 1 2 346.475 3.212 20 30 EGEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1Cc1cccc(C)c1C ZINC001205073892 1370643476 /nfs/dbraw/zinc/64/34/76/1370643476.db2.gz CSEBAAAZCOSYQB-IBGZPJMESA-N 1 2 340.471 3.217 20 30 EGEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1Cc1cccc(C)c1C ZINC001205073892 1370643478 /nfs/dbraw/zinc/64/34/78/1370643478.db2.gz CSEBAAAZCOSYQB-IBGZPJMESA-N 1 2 340.471 3.217 20 30 EGEDLO C#CCCCCC(=O)N(C)C[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001115682380 1370665242 /nfs/dbraw/zinc/66/52/42/1370665242.db2.gz MVRXRGJJNMRZDF-OAHLLOKOSA-N 1 2 342.487 3.116 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCC1([NH2+]Cc2noc(CC)n2)CCCCC1 ZINC001115712606 1370691979 /nfs/dbraw/zinc/69/19/79/1370691979.db2.gz TYUFWFQKFQMGMX-SFHVURJKSA-N 1 2 348.491 3.143 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@H+](CCc3ccc(F)cc3F)CCO2)c1 ZINC001116535749 1370932050 /nfs/dbraw/zinc/93/20/50/1370932050.db2.gz LJBGTOBROUSBDT-LJQANCHMSA-N 1 2 328.362 3.452 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@@H+](CCc3ccc(F)cc3F)CCO2)c1 ZINC001116535749 1370932051 /nfs/dbraw/zinc/93/20/51/1370932051.db2.gz LJBGTOBROUSBDT-LJQANCHMSA-N 1 2 328.362 3.452 20 30 EGEDLO COc1cc(NC(C)=O)ccc1C(=O)/C=C/c1ccc[nH+]c1N(C)C ZINC001117350795 1371038672 /nfs/dbraw/zinc/03/86/72/1371038672.db2.gz LUWGHAIXBYWWOP-JXMROGBWSA-N 1 2 339.395 3.011 20 30 EGEDLO COc1ccc(CC#N)cc1-c1ccc(C[NH+]2CCOCC2)cc1F ZINC001206703666 1371139419 /nfs/dbraw/zinc/13/94/19/1371139419.db2.gz OTPUEGFIHKNECW-UHFFFAOYSA-N 1 2 340.398 3.400 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2c(F)cccc2F)C[C@H]1C ZINC001206939876 1371235356 /nfs/dbraw/zinc/23/53/56/1371235356.db2.gz XUBCCFJPWJIQNN-CKEIUWERSA-N 1 2 334.410 3.122 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+]([C@H](C)c2c(F)cccc2F)C[C@H]1C ZINC001206939876 1371235361 /nfs/dbraw/zinc/23/53/61/1371235361.db2.gz XUBCCFJPWJIQNN-CKEIUWERSA-N 1 2 334.410 3.122 20 30 EGEDLO C[C@@H](c1cccc(Cl)c1F)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C#CC2CC2)C1 ZINC001206948762 1371240761 /nfs/dbraw/zinc/24/07/61/1371240761.db2.gz ZZIRZTAWAZZDMN-IIYDPXPESA-N 1 2 348.849 3.390 20 30 EGEDLO C[C@@H](c1cccc(Cl)c1F)[N@H+]1C[C@@H](C)[C@H](NC(=O)C#CC2CC2)C1 ZINC001206948762 1371240764 /nfs/dbraw/zinc/24/07/64/1371240764.db2.gz ZZIRZTAWAZZDMN-IIYDPXPESA-N 1 2 348.849 3.390 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ncc(C)o2)C[C@H]1C ZINC001207146055 1371309428 /nfs/dbraw/zinc/30/94/28/1371309428.db2.gz SCKWWBDNOGYGEE-SCDSUCTJSA-N 1 2 339.867 3.259 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ncc(C)o2)C[C@H]1C ZINC001207146055 1371309433 /nfs/dbraw/zinc/30/94/33/1371309433.db2.gz SCKWWBDNOGYGEE-SCDSUCTJSA-N 1 2 339.867 3.259 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc(C(C)C)no2)C[C@H]1C ZINC001207158265 1371316106 /nfs/dbraw/zinc/31/61/06/1371316106.db2.gz NOSDAFHCKAHDCK-RBSFLKMASA-N 1 2 348.491 3.293 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc(C(C)C)no2)C[C@H]1C ZINC001207158265 1371316111 /nfs/dbraw/zinc/31/61/11/1371316111.db2.gz NOSDAFHCKAHDCK-RBSFLKMASA-N 1 2 348.491 3.293 20 30 EGEDLO O=C1C=C2C[N@H+](CCc3ccccc3Br)CC[C@@H]2S1 ZINC001207528841 1371425310 /nfs/dbraw/zinc/42/53/10/1371425310.db2.gz NSUGMGCTSIJFLN-AWEZNQCLSA-N 1 2 338.270 3.266 20 30 EGEDLO O=C1C=C2C[N@@H+](CCc3ccccc3Br)CC[C@@H]2S1 ZINC001207528841 1371425312 /nfs/dbraw/zinc/42/53/12/1371425312.db2.gz NSUGMGCTSIJFLN-AWEZNQCLSA-N 1 2 338.270 3.266 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2nc(C(C)C)no2)C1 ZINC001208245233 1371680318 /nfs/dbraw/zinc/68/03/18/1371680318.db2.gz CYNOUQLJOKVIJK-LSDHHAIUSA-N 1 2 348.491 3.437 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001208392978 1371749773 /nfs/dbraw/zinc/74/97/73/1371749773.db2.gz HQHHBYJIKJOJDG-IJEWVQPXSA-N 1 2 335.879 3.274 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001208392978 1371749776 /nfs/dbraw/zinc/74/97/76/1371749776.db2.gz HQHHBYJIKJOJDG-IJEWVQPXSA-N 1 2 335.879 3.274 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(Cl)nc3)C[C@H]2C)CC1 ZINC001208500912 1371789946 /nfs/dbraw/zinc/78/99/46/1371789946.db2.gz ZGMNIUDXBHGLEP-GDBMZVCRSA-N 1 2 347.890 3.418 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(Cl)nc3)C[C@H]2C)CC1 ZINC001208500912 1371789947 /nfs/dbraw/zinc/78/99/47/1371789947.db2.gz ZGMNIUDXBHGLEP-GDBMZVCRSA-N 1 2 347.890 3.418 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H](C[N@@H+]1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC001208764293 1371887976 /nfs/dbraw/zinc/88/79/76/1371887976.db2.gz AXUQDQHIXACZOY-APWZRJJASA-N 1 2 329.444 3.488 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H](C[N@H+]1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC001208764293 1371887984 /nfs/dbraw/zinc/88/79/84/1371887984.db2.gz AXUQDQHIXACZOY-APWZRJJASA-N 1 2 329.444 3.488 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@@H]([NH2+]Cc2nc(CCC(C)C)no2)C1 ZINC001209346428 1372073707 /nfs/dbraw/zinc/07/37/07/1372073707.db2.gz UCYFOAMEYIPIBZ-MRXNPFEDSA-N 1 2 348.491 3.095 20 30 EGEDLO Cc1cc(Nc2cc(Br)cn3cc[nH+]c23)cnc1C#N ZINC001210203534 1372293455 /nfs/dbraw/zinc/29/34/55/1372293455.db2.gz FHFVELOJAIXLTH-UHFFFAOYSA-N 1 2 328.173 3.416 20 30 EGEDLO C=C1CCN(c2nnc([C@@H]3CCC[N@H+]3C)n2Cc2cccs2)CC1 ZINC001122913912 1372339908 /nfs/dbraw/zinc/33/99/08/1372339908.db2.gz AVLUZCJNYZQGJI-INIZCTEOSA-N 1 2 343.500 3.311 20 30 EGEDLO C=C1CCN(c2nnc([C@@H]3CCC[N@@H+]3C)n2Cc2cccs2)CC1 ZINC001122913912 1372339912 /nfs/dbraw/zinc/33/99/12/1372339912.db2.gz AVLUZCJNYZQGJI-INIZCTEOSA-N 1 2 343.500 3.311 20 30 EGEDLO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)OCc2ccc(C#N)cn2)c1 ZINC001122955843 1372347916 /nfs/dbraw/zinc/34/79/16/1372347916.db2.gz UYCLIZUERGZMGS-FQEVSTJZSA-N 1 2 349.434 3.360 20 30 EGEDLO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)OCc2ccc(C#N)cn2)c1 ZINC001122955843 1372347920 /nfs/dbraw/zinc/34/79/20/1372347920.db2.gz UYCLIZUERGZMGS-FQEVSTJZSA-N 1 2 349.434 3.360 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ncc(C)cn2)C[C@H]1C ZINC001210547250 1372375995 /nfs/dbraw/zinc/37/59/95/1372375995.db2.gz JEQSCQXEKPOGRX-QZTJIDSGSA-N 1 2 346.519 3.472 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C)cn2)C[C@H]1C ZINC001210547250 1372376000 /nfs/dbraw/zinc/37/60/00/1372376000.db2.gz JEQSCQXEKPOGRX-QZTJIDSGSA-N 1 2 346.519 3.472 20 30 EGEDLO C=CCCCC(=O)N1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001123309010 1372421229 /nfs/dbraw/zinc/42/12/29/1372421229.db2.gz JELWIPGCSIKNQM-GDBMZVCRSA-N 1 2 328.460 3.420 20 30 EGEDLO CC#CCCCC(=O)N1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001123309851 1372421259 /nfs/dbraw/zinc/42/12/59/1372421259.db2.gz QTMULWSWEKEULV-NVXWUHKLSA-N 1 2 340.471 3.257 20 30 EGEDLO CCCCCCCCC(=O)N1CCC[C@H]([NH2+]Cc2csnn2)C1 ZINC001210804038 1372430176 /nfs/dbraw/zinc/43/01/76/1372430176.db2.gz DVRQCBPUNLNCEJ-HNNXBMFYSA-N 1 2 338.521 3.369 20 30 EGEDLO C=CCCCC(=O)N[C@@]12CCC[C@H]1N(c1nc(C)[nH+]c(C)c1C)CC2 ZINC001123459940 1372477613 /nfs/dbraw/zinc/47/76/13/1372477613.db2.gz PIEZIYYXCRCAGO-YLJYHZDGSA-N 1 2 342.487 3.376 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@@H]2CCC[C@@H](Nc3cc[nH+]c(C)n3)[C@@H]2C1 ZINC001123485979 1372486079 /nfs/dbraw/zinc/48/60/79/1372486079.db2.gz DMBVWEWORDPUNO-GVDBMIGSSA-N 1 2 342.487 3.426 20 30 EGEDLO C=CCCC(=O)NCC[C@H](Cc1ccccc1)Nc1cc[nH+]c(C)n1 ZINC001123694677 1372561494 /nfs/dbraw/zinc/56/14/94/1372561494.db2.gz ZGJRZDQYROTUSC-GOSISDBHSA-N 1 2 338.455 3.281 20 30 EGEDLO Cc1cc(N[C@H]2CN(C(=O)C#CC(C)C)CC2(C)C)nc(C(C)C)[nH+]1 ZINC001123947892 1372635287 /nfs/dbraw/zinc/63/52/87/1372635287.db2.gz VPGKDTOMCRMIKU-INIZCTEOSA-N 1 2 342.487 3.217 20 30 EGEDLO C=CCn1cnc2c1ncnc2Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212695192 1372755086 /nfs/dbraw/zinc/75/50/86/1372755086.db2.gz SEQVTHRZVDZNEM-UHFFFAOYSA-N 1 2 331.383 3.001 20 30 EGEDLO C#Cc1cc(NC=CC2CCN(C(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC001212986127 1372812280 /nfs/dbraw/zinc/81/22/80/1372812280.db2.gz AENHDGZQQPHVFI-UXBLZVDNSA-N 1 2 327.428 3.058 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H](C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001126763053 1373016821 /nfs/dbraw/zinc/01/68/21/1373016821.db2.gz YGXRXAHROMCMBA-HOCLYGCPSA-N 1 2 330.476 3.108 20 30 EGEDLO C=CCCCC(=O)NC1(C2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC001127141846 1373096914 /nfs/dbraw/zinc/09/69/14/1373096914.db2.gz YCRLOKSXRWOHBN-UHFFFAOYSA-N 1 2 328.460 3.007 20 30 EGEDLO C=C(C)CCC(=O)N(C)CCOCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001127388957 1373122874 /nfs/dbraw/zinc/12/28/74/1373122874.db2.gz NPWZARDMUJSRDE-UHFFFAOYSA-N 1 2 348.491 3.152 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)/C(C)=C/CC)c2C1 ZINC001128234571 1373238787 /nfs/dbraw/zinc/23/87/87/1373238787.db2.gz IDJQEGOHQBCCCW-LICLKQGHSA-N 1 2 344.503 3.418 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)/C(C)=C/CC)c2C1 ZINC001128234571 1373238790 /nfs/dbraw/zinc/23/87/90/1373238790.db2.gz IDJQEGOHQBCCCW-LICLKQGHSA-N 1 2 344.503 3.418 20 30 EGEDLO Cc1ccc(O)c(Nc2ccc(OC3CCOCC3)c(C#N)c2)[nH+]1 ZINC001216664554 1373328301 /nfs/dbraw/zinc/32/83/01/1373328301.db2.gz XCVRWPACAPAPBA-UHFFFAOYSA-N 1 2 325.368 3.269 20 30 EGEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C)cc3Cl)C[C@@H]21 ZINC001217504159 1373455987 /nfs/dbraw/zinc/45/59/87/1373455987.db2.gz VIPVMHANBVCFKE-ZWKOTPCHSA-N 1 2 348.874 3.026 20 30 EGEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C)cc3Cl)C[C@@H]21 ZINC001217504159 1373455989 /nfs/dbraw/zinc/45/59/89/1373455989.db2.gz VIPVMHANBVCFKE-ZWKOTPCHSA-N 1 2 348.874 3.026 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)C=C(CC)CC)C[C@@H](C)O2 ZINC001131649264 1373743629 /nfs/dbraw/zinc/74/36/29/1373743629.db2.gz IPFVITPRNNCSRJ-CRAIPNDOSA-N 1 2 340.895 3.177 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C=C(CC)CC)C[C@@H](C)O2 ZINC001131649264 1373743636 /nfs/dbraw/zinc/74/36/36/1373743636.db2.gz IPFVITPRNNCSRJ-CRAIPNDOSA-N 1 2 340.895 3.177 20 30 EGEDLO C=CCC(C)(C)C(=O)N1C[C@H](C)O[C@]2(CC[N@H+](CC(=C)Cl)C2)C1 ZINC001131683550 1373762143 /nfs/dbraw/zinc/76/21/43/1373762143.db2.gz ZCNBLWZTUUYLPZ-YJBOKZPZSA-N 1 2 340.895 3.033 20 30 EGEDLO C=CCC(C)(C)C(=O)N1C[C@H](C)O[C@]2(CC[N@@H+](CC(=C)Cl)C2)C1 ZINC001131683550 1373762144 /nfs/dbraw/zinc/76/21/44/1373762144.db2.gz ZCNBLWZTUUYLPZ-YJBOKZPZSA-N 1 2 340.895 3.033 20 30 EGEDLO C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001221562012 1373782147 /nfs/dbraw/zinc/78/21/47/1373782147.db2.gz GTNIKUMKFKLKSD-MGPQQGTHSA-N 1 2 336.373 3.166 20 30 EGEDLO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001221562012 1373782149 /nfs/dbraw/zinc/78/21/49/1373782149.db2.gz GTNIKUMKFKLKSD-MGPQQGTHSA-N 1 2 336.373 3.166 20 30 EGEDLO CC(C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131752305 1373786668 /nfs/dbraw/zinc/78/66/68/1373786668.db2.gz PSJKJKBAPBBUIK-KSSFIOAISA-N 1 2 331.435 3.213 20 30 EGEDLO CC(C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131752305 1373786670 /nfs/dbraw/zinc/78/66/70/1373786670.db2.gz PSJKJKBAPBBUIK-KSSFIOAISA-N 1 2 331.435 3.213 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3ncc(C(C)(C)C)o3)[C@H]2C1 ZINC001222398501 1373837235 /nfs/dbraw/zinc/83/72/35/1373837235.db2.gz ZTXOALCQRSGLMD-CVEARBPZSA-N 1 2 345.487 3.361 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2CC[N@H+](Cc3ncc(C(C)(C)C)o3)[C@H]2C1 ZINC001222398501 1373837242 /nfs/dbraw/zinc/83/72/42/1373837242.db2.gz ZTXOALCQRSGLMD-CVEARBPZSA-N 1 2 345.487 3.361 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ncc(CC)o2)C1 ZINC001132057516 1375124511 /nfs/dbraw/zinc/12/45/11/1375124511.db2.gz QFDHYRRLRFOUDQ-WBVHZDCISA-N 1 2 345.487 3.475 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ncc(CC)o2)C1 ZINC001132057516 1375124512 /nfs/dbraw/zinc/12/45/12/1375124512.db2.gz QFDHYRRLRFOUDQ-WBVHZDCISA-N 1 2 345.487 3.475 20 30 EGEDLO C#CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3nc(C)cs3)C2)CCC1 ZINC001132101111 1375148779 /nfs/dbraw/zinc/14/87/79/1375148779.db2.gz HPKRKABZEOBETD-CVEARBPZSA-N 1 2 345.512 3.114 20 30 EGEDLO C#CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3nc(C)cs3)C2)CCC1 ZINC001132101111 1375148783 /nfs/dbraw/zinc/14/87/83/1375148783.db2.gz HPKRKABZEOBETD-CVEARBPZSA-N 1 2 345.512 3.114 20 30 EGEDLO CC[C@@H](C)C(=O)NC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC001226128565 1375208157 /nfs/dbraw/zinc/20/81/57/1375208157.db2.gz PAFAUEKAHHJRTI-OAHLLOKOSA-N 1 2 332.875 3.318 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)on2)C1 ZINC001132227972 1375223433 /nfs/dbraw/zinc/22/34/33/1375223433.db2.gz JVJXHQSTCLWSPI-NVXWUHKLSA-N 1 2 331.460 3.036 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(C)on2)C1 ZINC001132227972 1375223439 /nfs/dbraw/zinc/22/34/39/1375223439.db2.gz JVJXHQSTCLWSPI-NVXWUHKLSA-N 1 2 331.460 3.036 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ncc(CC)o2)C1 ZINC001132228427 1375224836 /nfs/dbraw/zinc/22/48/36/1375224836.db2.gz QNBAEBGERULRHL-DLBZAZTESA-N 1 2 345.487 3.290 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ncc(CC)o2)C1 ZINC001132228427 1375224837 /nfs/dbraw/zinc/22/48/37/1375224837.db2.gz QNBAEBGERULRHL-DLBZAZTESA-N 1 2 345.487 3.290 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001132257549 1375251292 /nfs/dbraw/zinc/25/12/92/1375251292.db2.gz XOBYWTTURHKHJP-IRXDYDNUSA-N 1 2 332.492 3.289 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001132257549 1375251294 /nfs/dbraw/zinc/25/12/94/1375251294.db2.gz XOBYWTTURHKHJP-IRXDYDNUSA-N 1 2 332.492 3.289 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)C[C@@H](C)C(C)C)CC1 ZINC001226534223 1375278172 /nfs/dbraw/zinc/27/81/72/1375278172.db2.gz GHCKOYFGXPPDKZ-GFCCVEGCSA-N 1 2 331.298 3.158 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2ccc3c(c2)OCCC3=O)C1 ZINC001227748339 1375470582 /nfs/dbraw/zinc/47/05/82/1375470582.db2.gz VIYKWSBNHAWYRM-SFHVURJKSA-N 1 2 348.402 3.177 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2ccc3c(c2)OCCC3=O)C1 ZINC001227748339 1375470584 /nfs/dbraw/zinc/47/05/84/1375470584.db2.gz VIYKWSBNHAWYRM-SFHVURJKSA-N 1 2 348.402 3.177 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@H]21 ZINC001188807570 1388380986 /nfs/dbraw/zinc/38/09/86/1388380986.db2.gz FMEKHBVKEGHBLL-CDSAOTDBSA-N 1 2 343.298 3.422 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@H]21 ZINC001188807570 1388380990 /nfs/dbraw/zinc/38/09/90/1388380990.db2.gz FMEKHBVKEGHBLL-CDSAOTDBSA-N 1 2 343.298 3.422 20 30 EGEDLO CC(C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001188820626 1388383743 /nfs/dbraw/zinc/38/37/43/1388383743.db2.gz IIQKQCWTAVMSJV-GOSISDBHSA-N 1 2 331.435 3.166 20 30 EGEDLO CC(C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001188820626 1388383748 /nfs/dbraw/zinc/38/37/48/1388383748.db2.gz IIQKQCWTAVMSJV-GOSISDBHSA-N 1 2 331.435 3.166 20 30 EGEDLO C=CC(C)(C)C(=O)NC1CC[NH+]([C@H](C)c2nc(C(C)C)no2)CC1 ZINC001228631453 1375621751 /nfs/dbraw/zinc/62/17/51/1375621751.db2.gz MCDSKENQCYFDHY-CYBMUJFWSA-N 1 2 334.464 3.047 20 30 EGEDLO C=CCC1(C(=O)NC2CC[NH+]([C@@H](C)c3nc(CC)no3)CC2)CCC1 ZINC001229025350 1375743363 /nfs/dbraw/zinc/74/33/63/1375743363.db2.gz YQRBLEPIRCQTLC-AWEZNQCLSA-N 1 2 346.475 3.020 20 30 EGEDLO C=CCC(C)(C)C(=O)NC1CC[NH+]([C@H](C)c2nc(C3CC3)no2)CC1 ZINC001229370430 1375821355 /nfs/dbraw/zinc/82/13/55/1375821355.db2.gz YMVUCQNRBBCOHK-CYBMUJFWSA-N 1 2 346.475 3.191 20 30 EGEDLO CCO[C@H](C)COc1nc(C)c(-c2ccc3[nH+]ccn3c2)cc1C#N ZINC001229767462 1375890170 /nfs/dbraw/zinc/89/01/70/1375890170.db2.gz CPKXRNDXEUHDNM-CYBMUJFWSA-N 1 2 336.395 3.380 20 30 EGEDLO CC[C@H](COC)Oc1nc(C)c(-c2ccc3[nH+]ccn3c2)cc1C#N ZINC001229769439 1375890323 /nfs/dbraw/zinc/89/03/23/1375890323.db2.gz RGDRUWPTYMKWLK-MRXNPFEDSA-N 1 2 336.395 3.380 20 30 EGEDLO CC[C@H](C)[C@H](C)C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001229776920 1375892221 /nfs/dbraw/zinc/89/22/21/1375892221.db2.gz YKSPFLKLVISQPX-GJZGRUSLSA-N 1 2 345.462 3.460 20 30 EGEDLO C=C[C@@H](C(=O)NC1CC[NH+](Cc2nccs2)CC1)c1ccccc1 ZINC001230332018 1375998931 /nfs/dbraw/zinc/99/89/31/1375998931.db2.gz OBWSQVXODFVTGG-QGZVFWFLSA-N 1 2 341.480 3.194 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)C=C1CCCCC1 ZINC001231041212 1376197577 /nfs/dbraw/zinc/19/75/77/1376197577.db2.gz CGYVDYJKNMDPIP-OAQYLSRUSA-N 1 2 336.479 3.461 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)C=C1CCCCC1 ZINC001231041212 1376197580 /nfs/dbraw/zinc/19/75/80/1376197580.db2.gz CGYVDYJKNMDPIP-OAQYLSRUSA-N 1 2 336.479 3.461 20 30 EGEDLO C[C@H](C#N)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1c(Cl)oc2ccccc21 ZINC001231294172 1376222739 /nfs/dbraw/zinc/22/27/39/1376222739.db2.gz VTCCZQCTVJUQDQ-OLZOCXBDSA-N 1 2 345.830 3.279 20 30 EGEDLO C[C@H](C#N)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1c(Cl)oc2ccccc21 ZINC001231294172 1376222743 /nfs/dbraw/zinc/22/27/43/1376222743.db2.gz VTCCZQCTVJUQDQ-OLZOCXBDSA-N 1 2 345.830 3.279 20 30 EGEDLO CCC[C@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001231312632 1376227527 /nfs/dbraw/zinc/22/75/27/1376227527.db2.gz QZLGXHQFIXOQDI-WMLDXEAASA-N 1 2 331.435 3.166 20 30 EGEDLO CCC[C@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001231312632 1376227536 /nfs/dbraw/zinc/22/75/36/1376227536.db2.gz QZLGXHQFIXOQDI-WMLDXEAASA-N 1 2 331.435 3.166 20 30 EGEDLO COc1cccc(C(=O)C2CC[NH+](Cc3cc(C#N)ccn3)CC2)c1 ZINC001232477903 1376466068 /nfs/dbraw/zinc/46/60/68/1376466068.db2.gz PKLPTWURILWQLD-UHFFFAOYSA-N 1 2 335.407 3.057 20 30 EGEDLO CC(=O)C1(c2ccccc2)CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232680040 1376500411 /nfs/dbraw/zinc/50/04/11/1376500411.db2.gz XCQMGASJALDNDW-UHFFFAOYSA-N 1 2 334.419 3.387 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nnsc1Cl ZINC001134453874 1376546462 /nfs/dbraw/zinc/54/64/62/1376546462.db2.gz NPCJTYIQDVVHKR-WDEREUQCSA-N 1 2 344.912 3.167 20 30 EGEDLO COc1ccc2c(c1)CC[N@@H+](Cc1ccc(N(C)C)c(C#N)c1F)C2 ZINC001233095940 1376569037 /nfs/dbraw/zinc/56/90/37/1376569037.db2.gz CUZUETGLAABPBS-UHFFFAOYSA-N 1 2 339.414 3.330 20 30 EGEDLO COc1ccc2c(c1)CC[N@H+](Cc1ccc(N(C)C)c(C#N)c1F)C2 ZINC001233095940 1376569042 /nfs/dbraw/zinc/56/90/42/1376569042.db2.gz CUZUETGLAABPBS-UHFFFAOYSA-N 1 2 339.414 3.330 20 30 EGEDLO CCCC[C@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001234049397 1376759338 /nfs/dbraw/zinc/75/93/38/1376759338.db2.gz HKKIVALDQCJWIA-LSDHHAIUSA-N 1 2 333.501 3.479 20 30 EGEDLO CCCC[C@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001234049397 1376759347 /nfs/dbraw/zinc/75/93/47/1376759347.db2.gz HKKIVALDQCJWIA-LSDHHAIUSA-N 1 2 333.501 3.479 20 30 EGEDLO N#Cc1c2c(cnc1-c1cc(OC(F)(F)F)ccc1O)C[NH2+]CCC2 ZINC001244457406 1377037821 /nfs/dbraw/zinc/03/78/21/1377037821.db2.gz WIDORMGDOKHVBK-UHFFFAOYSA-N 1 2 349.312 3.260 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)C1(F)CCCCC1 ZINC001327277457 1388479524 /nfs/dbraw/zinc/47/95/24/1388479524.db2.gz RBMSASIBSILFLK-UHFFFAOYSA-N 1 2 349.288 3.348 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)C1(F)CCCCC1 ZINC001327277457 1388479529 /nfs/dbraw/zinc/47/95/29/1388479529.db2.gz RBMSASIBSILFLK-UHFFFAOYSA-N 1 2 349.288 3.348 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc(C(F)(F)F)ccn1)C1CC1 ZINC001266615927 1377344907 /nfs/dbraw/zinc/34/49/07/1377344907.db2.gz VVAOLOXURVJYDV-UHFFFAOYSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc(C(F)(F)F)ccn1)C1CC1 ZINC001266615927 1377344910 /nfs/dbraw/zinc/34/49/10/1377344910.db2.gz VVAOLOXURVJYDV-UHFFFAOYSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC001753092771 1440300297 /nfs/dbraw/zinc/30/02/97/1440300297.db2.gz NABCLBWKFMJVGF-HZPDHXFCSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H]1CNC(=O)CCC1(C)CC1 ZINC001266858645 1377397463 /nfs/dbraw/zinc/39/74/63/1377397463.db2.gz UTGHOFVHAZAUDY-AWEZNQCLSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(=O)CCC1(C)CC1 ZINC001266858645 1377397469 /nfs/dbraw/zinc/39/74/69/1377397469.db2.gz UTGHOFVHAZAUDY-AWEZNQCLSA-N 1 2 343.309 3.446 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(F)cc(F)c1F)C2 ZINC001137871032 1377634411 /nfs/dbraw/zinc/63/44/11/1377634411.db2.gz LNBWUKXBEUXLGD-QAPCUYQASA-N 1 2 341.373 3.430 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(F)cc(F)c1F)C2 ZINC001137871032 1377634414 /nfs/dbraw/zinc/63/44/14/1377634414.db2.gz LNBWUKXBEUXLGD-QAPCUYQASA-N 1 2 341.373 3.430 20 30 EGEDLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc(N(C)c2ccc(C#N)cc2)cc1 ZINC001137902961 1377641636 /nfs/dbraw/zinc/64/16/36/1377641636.db2.gz ZBIKLUXFIKOJAB-HNNXBMFYSA-N 1 2 337.423 3.319 20 30 EGEDLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc(N(C)c2ccc(C#N)cc2)cc1 ZINC001137902961 1377641640 /nfs/dbraw/zinc/64/16/40/1377641640.db2.gz ZBIKLUXFIKOJAB-HNNXBMFYSA-N 1 2 337.423 3.319 20 30 EGEDLO CC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)CCO1 ZINC001137904206 1377641774 /nfs/dbraw/zinc/64/17/74/1377641774.db2.gz RJBPAPYXTBCCRD-NRFANRHFSA-N 1 2 349.434 3.116 20 30 EGEDLO CC(=O)[C@@H]1C[N@@H+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)CCO1 ZINC001137904206 1377641776 /nfs/dbraw/zinc/64/17/76/1377641776.db2.gz RJBPAPYXTBCCRD-NRFANRHFSA-N 1 2 349.434 3.116 20 30 EGEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(F)c(F)c1F)CC2 ZINC001137937222 1377649104 /nfs/dbraw/zinc/64/91/04/1377649104.db2.gz NFVSJIHSHMENOQ-UHFFFAOYSA-N 1 2 338.373 3.247 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1cccc(OCC)c1 ZINC001138099496 1377676765 /nfs/dbraw/zinc/67/67/65/1377676765.db2.gz XRIZGNVLKFUVRA-IBGZPJMESA-N 1 2 341.455 3.121 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1cccc(OCC)c1 ZINC001138099496 1377676767 /nfs/dbraw/zinc/67/67/67/1377676767.db2.gz XRIZGNVLKFUVRA-IBGZPJMESA-N 1 2 341.455 3.121 20 30 EGEDLO C=CCc1cccc(C[N@H+](CC(=O)OC)Cc2ccccc2)c1O ZINC001138627977 1377756926 /nfs/dbraw/zinc/75/69/26/1377756926.db2.gz KZMRBBDELNGKAD-UHFFFAOYSA-N 1 2 325.408 3.296 20 30 EGEDLO C=CCc1cccc(C[N@@H+](CC(=O)OC)Cc2ccccc2)c1O ZINC001138627977 1377756927 /nfs/dbraw/zinc/75/69/27/1377756927.db2.gz KZMRBBDELNGKAD-UHFFFAOYSA-N 1 2 325.408 3.296 20 30 EGEDLO CSc1ncc(C[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)cn1 ZINC001138709881 1377771318 /nfs/dbraw/zinc/77/13/18/1377771318.db2.gz SNXJWYPHDKMVOB-INIZCTEOSA-N 1 2 340.452 3.114 20 30 EGEDLO CSc1ncc(C[N@H+]2CCC[C@H](Oc3ccccc3C#N)C2)cn1 ZINC001138709881 1377771320 /nfs/dbraw/zinc/77/13/20/1377771320.db2.gz SNXJWYPHDKMVOB-INIZCTEOSA-N 1 2 340.452 3.114 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc2occc2c1 ZINC001138822263 1377791692 /nfs/dbraw/zinc/79/16/92/1377791692.db2.gz YOFUSIFRSXMTTD-SFHVURJKSA-N 1 2 337.423 3.468 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc2occc2c1 ZINC001138822263 1377791696 /nfs/dbraw/zinc/79/16/96/1377791696.db2.gz YOFUSIFRSXMTTD-SFHVURJKSA-N 1 2 337.423 3.468 20 30 EGEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1cc(F)cnc1Cl)CC2 ZINC001138891823 1377799783 /nfs/dbraw/zinc/79/97/83/1377799783.db2.gz FWUBOSJTVVIRCD-UHFFFAOYSA-N 1 2 337.826 3.017 20 30 EGEDLO N#Cc1cccc2c(C[NH+]3CC4(CCN4Cc4ccccc4)C3)c[nH]c21 ZINC001139703717 1377937248 /nfs/dbraw/zinc/93/72/48/1377937248.db2.gz SWDCYRBECAZDDB-UHFFFAOYSA-N 1 2 342.446 3.500 20 30 EGEDLO N#Cc1cccc2c(C[N@@H+]3CCO[C@H](COc4ccccc4)C3)c[nH]c21 ZINC001139706516 1377938042 /nfs/dbraw/zinc/93/80/42/1377938042.db2.gz XIBKOBJKZBCHJM-IBGZPJMESA-N 1 2 347.418 3.319 20 30 EGEDLO N#Cc1cccc2c(C[N@H+]3CCO[C@H](COc4ccccc4)C3)c[nH]c21 ZINC001139706516 1377938043 /nfs/dbraw/zinc/93/80/43/1377938043.db2.gz XIBKOBJKZBCHJM-IBGZPJMESA-N 1 2 347.418 3.319 20 30 EGEDLO Cc1ccc(C[NH+]2CCN(CCOc3ccccc3)CC2)cc1C#N ZINC001139724368 1377941657 /nfs/dbraw/zinc/94/16/57/1377941657.db2.gz QCIPSHMMRALMGI-UHFFFAOYSA-N 1 2 335.451 3.063 20 30 EGEDLO N#Cc1ccccc1OC1C[NH+](Cc2ccc(-c3cncnc3)cc2)C1 ZINC001140353994 1378051788 /nfs/dbraw/zinc/05/17/88/1378051788.db2.gz FPBVKDYKXQJWEY-UHFFFAOYSA-N 1 2 342.402 3.278 20 30 EGEDLO Cc1ccc(Cl)nc1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001140447638 1378064482 /nfs/dbraw/zinc/06/44/82/1378064482.db2.gz GMPLHQRAKHKNCD-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO CCOc1cc2c(cc1OCC)C[N@H+](Cc1ccc(C#N)nc1)CC2 ZINC001140546523 1378082721 /nfs/dbraw/zinc/08/27/21/1378082721.db2.gz MOHZNSMPKYCEAW-UHFFFAOYSA-N 1 2 337.423 3.309 20 30 EGEDLO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1ccc(C#N)nc1)CC2 ZINC001140546523 1378082723 /nfs/dbraw/zinc/08/27/23/1378082723.db2.gz MOHZNSMPKYCEAW-UHFFFAOYSA-N 1 2 337.423 3.309 20 30 EGEDLO COc1cccc(OC2CC[NH+](Cc3ccc(F)cc3C#N)CC2)n1 ZINC001141167613 1378257720 /nfs/dbraw/zinc/25/77/20/1378257720.db2.gz RNWMRGODXSESRP-UHFFFAOYSA-N 1 2 341.386 3.144 20 30 EGEDLO CC1(C)C[N@H+](Cc2cc(Br)ccc2C#N)[C@@](C)(CO)C1 ZINC001141897558 1378391798 /nfs/dbraw/zinc/39/17/98/1378391798.db2.gz WOYOFXKPGRXALL-MRXNPFEDSA-N 1 2 337.261 3.304 20 30 EGEDLO CC1(C)C[N@@H+](Cc2cc(Br)ccc2C#N)[C@@](C)(CO)C1 ZINC001141897558 1378391802 /nfs/dbraw/zinc/39/18/02/1378391802.db2.gz WOYOFXKPGRXALL-MRXNPFEDSA-N 1 2 337.261 3.304 20 30 EGEDLO Cc1[nH]c(NC(=O)/C=C/c2ccc(Cn3cc[nH+]c3)cc2)c(C#N)c1C ZINC001142365675 1378436315 /nfs/dbraw/zinc/43/63/15/1378436315.db2.gz PGCOKWKJBVFGLO-BQYQJAHWSA-N 1 2 345.406 3.400 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2cccc(C3CC3)c2)C1 ZINC001282726424 1378580425 /nfs/dbraw/zinc/58/04/25/1378580425.db2.gz VPNYMYUDUOTBDM-AWEZNQCLSA-N 1 2 332.875 3.296 20 30 EGEDLO C[C@@H](NC(=O)C(C)(C)C1CC1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001282734362 1378583376 /nfs/dbraw/zinc/58/33/76/1378583376.db2.gz DRYSQTHIPNILBS-CYBMUJFWSA-N 1 2 343.446 3.070 20 30 EGEDLO COC(=O)C1(C#N)CC[NH+](Cc2cccc(C(F)(F)F)c2C)CC1 ZINC001143929510 1378661514 /nfs/dbraw/zinc/66/15/14/1378661514.db2.gz PMAQUVHIBCZMNX-UHFFFAOYSA-N 1 2 340.345 3.293 20 30 EGEDLO COc1ncc(C[NH+]2CCC(Oc3ccccc3C#N)CC2)cc1F ZINC001144465899 1378734938 /nfs/dbraw/zinc/73/49/38/1378734938.db2.gz AKXOBILEPFFTLI-UHFFFAOYSA-N 1 2 341.386 3.144 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[N@H+](CC=C(Cl)Cl)CCCO1 ZINC001150141249 1379501320 /nfs/dbraw/zinc/50/13/20/1379501320.db2.gz YVSJZBDCQYNHBW-UONOGXRCSA-N 1 2 349.302 3.115 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[N@@H+](CC=C(Cl)Cl)CCCO1 ZINC001150141249 1379501321 /nfs/dbraw/zinc/50/13/21/1379501321.db2.gz YVSJZBDCQYNHBW-UONOGXRCSA-N 1 2 349.302 3.115 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)CC2CCCCCC2)C1 ZINC001150380011 1379542091 /nfs/dbraw/zinc/54/20/91/1379542091.db2.gz NSNSYCAJHUIWSQ-KRWDZBQOSA-N 1 2 342.911 3.307 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)CC2CCCCCC2)C1 ZINC001150380011 1379542093 /nfs/dbraw/zinc/54/20/93/1379542093.db2.gz NSNSYCAJHUIWSQ-KRWDZBQOSA-N 1 2 342.911 3.307 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)CC2CCCCCC2)C1 ZINC001150380012 1379542373 /nfs/dbraw/zinc/54/23/73/1379542373.db2.gz NSNSYCAJHUIWSQ-QGZVFWFLSA-N 1 2 342.911 3.307 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)CC2CCCCCC2)C1 ZINC001150380012 1379542376 /nfs/dbraw/zinc/54/23/76/1379542376.db2.gz NSNSYCAJHUIWSQ-QGZVFWFLSA-N 1 2 342.911 3.307 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C[C@H]1C=CCC1 ZINC001151801633 1379784826 /nfs/dbraw/zinc/78/48/26/1379784826.db2.gz XYQYETAHYJGVPG-CVEARBPZSA-N 1 2 343.446 3.380 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C[C@H]1C=CCC1 ZINC001151801633 1379784832 /nfs/dbraw/zinc/78/48/32/1379784832.db2.gz XYQYETAHYJGVPG-CVEARBPZSA-N 1 2 343.446 3.380 20 30 EGEDLO C=CCC1(C(=O)NCC[NH2+]Cc2nnc(C(C)(C)C)o2)CCCCC1 ZINC001151997040 1379834236 /nfs/dbraw/zinc/83/42/36/1379834236.db2.gz AMMLXMKUKWKJRS-UHFFFAOYSA-N 1 2 348.491 3.100 20 30 EGEDLO C=CCC1(C(=O)NCC[NH2+][C@@H](C)c2nc(C(C)C)no2)CCCCC1 ZINC001151998658 1379835562 /nfs/dbraw/zinc/83/55/62/1379835562.db2.gz YEMKPWDAARDXHB-HNNXBMFYSA-N 1 2 348.491 3.486 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(C(C)(C)C)on1 ZINC001152867519 1379988070 /nfs/dbraw/zinc/98/80/70/1379988070.db2.gz ZSSZJMLLHUOZTE-MRXNPFEDSA-N 1 2 347.503 3.492 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(C(C)(C)C)on1 ZINC001152867519 1379988072 /nfs/dbraw/zinc/98/80/72/1379988072.db2.gz ZSSZJMLLHUOZTE-MRXNPFEDSA-N 1 2 347.503 3.492 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)Br ZINC001153566586 1380093983 /nfs/dbraw/zinc/09/39/83/1380093983.db2.gz GVPBBUUWXWGDMX-CQSZACIVSA-N 1 2 343.309 3.490 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@@H](C)[N@H+](CC)CC(=C)Br ZINC001153566586 1380093981 /nfs/dbraw/zinc/09/39/81/1380093981.db2.gz GVPBBUUWXWGDMX-CQSZACIVSA-N 1 2 343.309 3.490 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C)o1 ZINC001153588550 1380099055 /nfs/dbraw/zinc/09/90/55/1380099055.db2.gz WEGMDKSEDMICMF-LLVKDONJSA-N 1 2 327.856 3.088 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C)o1 ZINC001153588550 1380099056 /nfs/dbraw/zinc/09/90/56/1380099056.db2.gz WEGMDKSEDMICMF-LLVKDONJSA-N 1 2 327.856 3.088 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nccn1CC ZINC001153588062 1380099088 /nfs/dbraw/zinc/09/90/88/1380099088.db2.gz LKBAGPCAJNSOMG-CYBMUJFWSA-N 1 2 340.899 3.008 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1nccn1CC ZINC001153588062 1380099089 /nfs/dbraw/zinc/09/90/89/1380099089.db2.gz LKBAGPCAJNSOMG-CYBMUJFWSA-N 1 2 340.899 3.008 20 30 EGEDLO C=CCC[C@H](C(=O)NCC[NH2+]Cc1nc(C)c(C)o1)c1ccccc1 ZINC001153818162 1380136270 /nfs/dbraw/zinc/13/62/70/1380136270.db2.gz YQNOZWCIGKOAFE-SFHVURJKSA-N 1 2 341.455 3.247 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C1CCC(F)CC1 ZINC001155041291 1380397526 /nfs/dbraw/zinc/39/75/26/1380397526.db2.gz OGKRLBDDOOPEJA-IYXRBSQSSA-N 1 2 349.288 3.250 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C1CCC(F)CC1 ZINC001155041291 1380397528 /nfs/dbraw/zinc/39/75/28/1380397528.db2.gz OGKRLBDDOOPEJA-IYXRBSQSSA-N 1 2 349.288 3.250 20 30 EGEDLO CCC[C@@H](COC)N(CCC(=O)OCC)c1[nH+]c(C)ccc1CC#N ZINC001156309683 1380555949 /nfs/dbraw/zinc/55/59/49/1380555949.db2.gz LKMLHYPTNMWMSD-KRWDZBQOSA-N 1 2 347.459 3.031 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C1CCC=CCC1 ZINC001156934970 1380733112 /nfs/dbraw/zinc/73/31/12/1380733112.db2.gz KHAYTUAXRVXIOV-CQSZACIVSA-N 1 2 343.309 3.468 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C1CCC=CCC1 ZINC001156934970 1380733115 /nfs/dbraw/zinc/73/31/15/1380733115.db2.gz KHAYTUAXRVXIOV-CQSZACIVSA-N 1 2 343.309 3.468 20 30 EGEDLO C=C[C@@H](CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccon1)c1ccccc1 ZINC001157068525 1380768094 /nfs/dbraw/zinc/76/80/94/1380768094.db2.gz CFKSRMVSZDSISF-SJORKVTESA-N 1 2 341.455 3.361 20 30 EGEDLO C=C[C@@H](CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccon1)c1ccccc1 ZINC001157068525 1380768096 /nfs/dbraw/zinc/76/80/96/1380768096.db2.gz CFKSRMVSZDSISF-SJORKVTESA-N 1 2 341.455 3.361 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1c(C)nn(C(C)(C)C)c1C ZINC001755301859 1440808934 /nfs/dbraw/zinc/80/89/34/1440808934.db2.gz UPLPQGBJCGYBEQ-GFCCVEGCSA-N 1 2 340.899 3.058 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1c(C)nn(C(C)(C)C)c1C ZINC001755301859 1440808935 /nfs/dbraw/zinc/80/89/35/1440808935.db2.gz UPLPQGBJCGYBEQ-GFCCVEGCSA-N 1 2 340.899 3.058 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccoc1 ZINC001157555025 1380964024 /nfs/dbraw/zinc/96/40/24/1380964024.db2.gz LERGKXAVBSCNAA-CQSZACIVSA-N 1 2 341.249 3.115 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccoc1 ZINC001157555025 1380964028 /nfs/dbraw/zinc/96/40/28/1380964028.db2.gz LERGKXAVBSCNAA-CQSZACIVSA-N 1 2 341.249 3.115 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)CC ZINC001157573883 1380969036 /nfs/dbraw/zinc/96/90/36/1380969036.db2.gz RWHHUMSABSJMMA-GXTWGEPZSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)CC ZINC001157573883 1380969040 /nfs/dbraw/zinc/96/90/40/1380969040.db2.gz RWHHUMSABSJMMA-GXTWGEPZSA-N 1 2 331.298 3.254 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccn(CC)n1 ZINC001158005101 1381099724 /nfs/dbraw/zinc/09/97/24/1381099724.db2.gz CXXYAJPGOYJBHA-GOSISDBHSA-N 1 2 346.519 3.318 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccn(CC)n1 ZINC001158005101 1381099728 /nfs/dbraw/zinc/09/97/28/1381099728.db2.gz CXXYAJPGOYJBHA-GOSISDBHSA-N 1 2 346.519 3.318 20 30 EGEDLO C#CCCCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cc(C)on1 ZINC001158336147 1381206069 /nfs/dbraw/zinc/20/60/69/1381206069.db2.gz IGORLUIMIOIPLF-LJQANCHMSA-N 1 2 345.487 3.380 20 30 EGEDLO C#CCCCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cc(C)on1 ZINC001158336147 1381206072 /nfs/dbraw/zinc/20/60/72/1381206072.db2.gz IGORLUIMIOIPLF-LJQANCHMSA-N 1 2 345.487 3.380 20 30 EGEDLO O=C(NCCC1=CC[N@H+](CC#Cc2ccccc2Cl)CC1)C1CC1 ZINC001159053240 1381542471 /nfs/dbraw/zinc/54/24/71/1381542471.db2.gz YUMXFDUARKIQBR-UHFFFAOYSA-N 1 2 342.870 3.240 20 30 EGEDLO O=C(NCCC1=CC[N@@H+](CC#Cc2ccccc2Cl)CC1)C1CC1 ZINC001159053240 1381542483 /nfs/dbraw/zinc/54/24/83/1381542483.db2.gz YUMXFDUARKIQBR-UHFFFAOYSA-N 1 2 342.870 3.240 20 30 EGEDLO C/C=C(/C)C(=O)NCCC1=CC[N@H+](Cc2cc(F)ccc2C#N)CC1 ZINC001159752477 1381889165 /nfs/dbraw/zinc/88/91/65/1381889165.db2.gz IGSGEPCGSUSJSA-CQPUUCJISA-N 1 2 341.430 3.302 20 30 EGEDLO C/C=C(/C)C(=O)NCCC1=CC[N@@H+](Cc2cc(F)ccc2C#N)CC1 ZINC001159752477 1381889167 /nfs/dbraw/zinc/88/91/67/1381889167.db2.gz IGSGEPCGSUSJSA-CQPUUCJISA-N 1 2 341.430 3.302 20 30 EGEDLO COC(=O)c1ccc(C(=[NH2+])Nc2cc(Cl)nc3[nH]cc(C)c32)cc1 ZINC001159857632 1381921229 /nfs/dbraw/zinc/92/12/29/1381921229.db2.gz YOONJBJRJCZZKS-UHFFFAOYSA-N 1 2 342.786 3.348 20 30 EGEDLO C=C(C)CCC(=O)NCCC1=CC[N@H+]([C@H](C)c2ncccn2)CC1 ZINC001160264416 1382055187 /nfs/dbraw/zinc/05/51/87/1382055187.db2.gz NMDGULLSDYTXKQ-MRXNPFEDSA-N 1 2 328.460 3.032 20 30 EGEDLO C=C(C)CCC(=O)NCCC1=CC[N@@H+]([C@H](C)c2ncccn2)CC1 ZINC001160264416 1382055194 /nfs/dbraw/zinc/05/51/94/1382055194.db2.gz NMDGULLSDYTXKQ-MRXNPFEDSA-N 1 2 328.460 3.032 20 30 EGEDLO COC(=O)C[C@H](c1cc[nH+]c(NCc2cncc(C#N)c2)c1)C1CC1 ZINC001160995653 1382266393 /nfs/dbraw/zinc/26/63/93/1382266393.db2.gz SZWPNQUXSSQPNA-KRWDZBQOSA-N 1 2 336.395 3.017 20 30 EGEDLO C=CCCC1(C(=O)NCCC2=CC[N@H+](Cc3ccon3)CC2)CC1 ZINC001161116435 1382304043 /nfs/dbraw/zinc/30/40/43/1382304043.db2.gz IUQPDKTWBJHJKN-UHFFFAOYSA-N 1 2 329.444 3.059 20 30 EGEDLO C=CCCC1(C(=O)NCCC2=CC[N@@H+](Cc3ccon3)CC2)CC1 ZINC001161116435 1382304048 /nfs/dbraw/zinc/30/40/48/1382304048.db2.gz IUQPDKTWBJHJKN-UHFFFAOYSA-N 1 2 329.444 3.059 20 30 EGEDLO C[N@@H+]1CCO[C@H](CNc2c(F)c(F)c(C(F)(F)F)c(F)c2F)C1 ZINC001162690643 1382834843 /nfs/dbraw/zinc/83/48/43/1382834843.db2.gz ZJZPPOSRTJWWBS-ZCFIWIBFSA-N 1 2 346.246 3.004 20 30 EGEDLO C[N@H+]1CCO[C@H](CNc2c(F)c(F)c(C(F)(F)F)c(F)c2F)C1 ZINC001162690643 1382834853 /nfs/dbraw/zinc/83/48/53/1382834853.db2.gz ZJZPPOSRTJWWBS-ZCFIWIBFSA-N 1 2 346.246 3.004 20 30 EGEDLO COCC(C)(C)Nc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(C)[nH+]1 ZINC001165984048 1383373798 /nfs/dbraw/zinc/37/37/98/1383373798.db2.gz XAGPTQWPCNETQI-BPNKPRMTSA-N 1 2 325.478 3.108 20 30 EGEDLO N#Cc1cnc2cnc(Cl)cc2c1N1CCC(n2cc[nH+]c2)CC1 ZINC001167123887 1383545556 /nfs/dbraw/zinc/54/55/56/1383545556.db2.gz NLBGDDLKTRNPMW-UHFFFAOYSA-N 1 2 338.802 3.193 20 30 EGEDLO C[C@@]1(c2ccc(F)cc2)CN(c2[nH+]ccc3[nH]cc(C#N)c32)CCO1 ZINC001167141038 1383550569 /nfs/dbraw/zinc/55/05/69/1383550569.db2.gz PXRDUGZPWBXCDE-IBGZPJMESA-N 1 2 336.370 3.326 20 30 EGEDLO N#Cc1c(NCc2cc[nH+]c(N)c2)nc(Cl)cc1C(F)(F)F ZINC001167612551 1383689455 /nfs/dbraw/zinc/68/94/55/1383689455.db2.gz GDAPTFGMFROMGY-UHFFFAOYSA-N 1 2 327.697 3.215 20 30 EGEDLO Cc1cc(C#N)cnc1NCCSCc1csc(C[NH+](C)C)n1 ZINC001168108723 1383818445 /nfs/dbraw/zinc/81/84/45/1383818445.db2.gz SBMMKINRMBGNKT-UHFFFAOYSA-N 1 2 347.513 3.125 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](C#N)C2)C[C@H]1C(F)(F)F ZINC001168571414 1383939774 /nfs/dbraw/zinc/93/97/74/1383939774.db2.gz WTVAESKYZQVPCV-UPJWGTAASA-N 1 2 347.381 3.162 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CC[C@H](C#N)C2)C[C@H]1C(F)(F)F ZINC001168571414 1383939777 /nfs/dbraw/zinc/93/97/77/1383939777.db2.gz WTVAESKYZQVPCV-UPJWGTAASA-N 1 2 347.381 3.162 20 30 EGEDLO CCOC(=O)c1cc2c[nH+]c(N[C@@H]3CCc4c3cccc4C#N)nc2[nH]1 ZINC001171060729 1384439161 /nfs/dbraw/zinc/43/91/61/1384439161.db2.gz JDWOBAUSWBWJSP-OAHLLOKOSA-N 1 2 347.378 3.057 20 30 EGEDLO CCOC(=O)C1([NH2+][C@H](C)Cc2cccc(C#N)c2)Cc2ccccc2C1 ZINC001171189569 1384464895 /nfs/dbraw/zinc/46/48/95/1384464895.db2.gz HJXSUMOTTZEQGS-MRXNPFEDSA-N 1 2 348.446 3.180 20 30 EGEDLO N#CC1(c2cc[nH+]c(NCCC3CCC4(CC3)OCCO4)c2)CC1 ZINC001171222803 1384472495 /nfs/dbraw/zinc/47/24/95/1384472495.db2.gz IIBVUQFXYRMOJN-UHFFFAOYSA-N 1 2 327.428 3.372 20 30 EGEDLO Cc1nc2c[nH]cc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c-2n1 ZINC001171278222 1384483772 /nfs/dbraw/zinc/48/37/72/1384483772.db2.gz ZMKNTRWMEMHAJY-UHFFFAOYSA-N 1 2 346.438 3.237 20 30 EGEDLO C=CC[C@@](C)([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1)C(=O)OC ZINC001171530145 1384553468 /nfs/dbraw/zinc/55/34/68/1384553468.db2.gz PGAIBBUAXQHPKH-PIGZYNQJSA-N 1 2 327.346 3.059 20 30 EGEDLO C[C@H](C#N)C(=O)N(C)C1CC[NH+]([C@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC001316932297 1384703033 /nfs/dbraw/zinc/70/30/33/1384703033.db2.gz WTXVMZJLDIPIQD-ZIAGYGMSSA-N 1 2 346.475 3.116 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)c2coc(CC)n2)CC1 ZINC001317004158 1384763171 /nfs/dbraw/zinc/76/31/71/1384763171.db2.gz OCEZNSDJKSSEQV-UHFFFAOYSA-N 1 2 339.867 3.306 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(CCC)C(=O)[C@H](F)CC)CC1 ZINC001317005623 1384766687 /nfs/dbraw/zinc/76/66/87/1384766687.db2.gz KNDGFYUBJOQOPQ-CQSZACIVSA-N 1 2 349.288 3.346 20 30 EGEDLO C[C@@H](Cc1ccc(C#N)cc1)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001172313219 1384767297 /nfs/dbraw/zinc/76/72/97/1384767297.db2.gz RWJNXECGISJFRW-MAUKXSAKSA-N 1 2 333.426 3.295 20 30 EGEDLO CC(C)n1c[nH+]c2cc(Nc3c(C#N)cnn3-c3ncccn3)ccc21 ZINC001174381271 1385103848 /nfs/dbraw/zinc/10/38/48/1385103848.db2.gz DKKSGERLORUADW-UHFFFAOYSA-N 1 2 344.382 3.208 20 30 EGEDLO C=CCC1(C(=O)NCC[C@H](C)[NH2+]Cc2ncc(C)o2)CCCCC1 ZINC001317415895 1385125549 /nfs/dbraw/zinc/12/55/49/1385125549.db2.gz PAZKCVAHHDPUEV-HNNXBMFYSA-N 1 2 333.476 3.494 20 30 EGEDLO Cc1cc(F)cc(C(=O)NCC[N@@H+](C)Cc2ccc(C#N)cc2F)c1 ZINC001317460600 1385158122 /nfs/dbraw/zinc/15/81/22/1385158122.db2.gz BVKLWXYXIRQBEI-UHFFFAOYSA-N 1 2 343.377 3.007 20 30 EGEDLO Cc1cc(F)cc(C(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2F)c1 ZINC001317460600 1385158123 /nfs/dbraw/zinc/15/81/23/1385158123.db2.gz BVKLWXYXIRQBEI-UHFFFAOYSA-N 1 2 343.377 3.007 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)C1(c2cccc(OC)c2)CC1)C1CC1 ZINC001317558955 1385334357 /nfs/dbraw/zinc/33/43/57/1385334357.db2.gz PXCAXPDZYSDKBE-UHFFFAOYSA-N 1 2 348.874 3.060 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)C1(c2cccc(OC)c2)CC1)C1CC1 ZINC001317558955 1385334360 /nfs/dbraw/zinc/33/43/60/1385334360.db2.gz PXCAXPDZYSDKBE-UHFFFAOYSA-N 1 2 348.874 3.060 20 30 EGEDLO Cc1nc(N2CCOCC2)sc1C=[NH+]Nc1ccccc1Cl ZINC001317703185 1385408067 /nfs/dbraw/zinc/40/80/67/1385408067.db2.gz DKSWBKVEZVIMMM-UHFFFAOYSA-N 1 2 336.848 3.388 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2ccncc2Cl)C1 ZINC001317767519 1385457493 /nfs/dbraw/zinc/45/74/93/1385457493.db2.gz QINCFALYWDYYNS-CYBMUJFWSA-N 1 2 342.270 3.414 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccncc2Cl)C1 ZINC001317767519 1385457497 /nfs/dbraw/zinc/45/74/97/1385457497.db2.gz QINCFALYWDYYNS-CYBMUJFWSA-N 1 2 342.270 3.414 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC001317970682 1385592978 /nfs/dbraw/zinc/59/29/78/1385592978.db2.gz IHAIHUCLYMAQHC-HNNXBMFYSA-N 1 2 334.410 3.095 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC001317970682 1385592981 /nfs/dbraw/zinc/59/29/81/1385592981.db2.gz IHAIHUCLYMAQHC-HNNXBMFYSA-N 1 2 334.410 3.095 20 30 EGEDLO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)Cc1c[nH]c[nH+]1 ZINC001176833732 1385717571 /nfs/dbraw/zinc/71/75/71/1385717571.db2.gz UDQSPYYJVNMENR-UHFFFAOYSA-N 1 2 331.879 3.473 20 30 EGEDLO C#CCOc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)c1 ZINC001318611824 1385793801 /nfs/dbraw/zinc/79/38/01/1385793801.db2.gz KYDNENHEINBSPF-FQEVSTJZSA-N 1 2 349.434 3.087 20 30 EGEDLO C#CCOc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)c1 ZINC001318611824 1385793814 /nfs/dbraw/zinc/79/38/14/1385793814.db2.gz KYDNENHEINBSPF-FQEVSTJZSA-N 1 2 349.434 3.087 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)CC(C)(C)C)C[C@H]21 ZINC001177150198 1385835048 /nfs/dbraw/zinc/83/50/48/1385835048.db2.gz JEJMMNWKBJSNLY-SJORKVTESA-N 1 2 336.520 3.327 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)CC(C)(C)C)C[C@H]21 ZINC001177150198 1385835051 /nfs/dbraw/zinc/83/50/51/1385835051.db2.gz JEJMMNWKBJSNLY-SJORKVTESA-N 1 2 336.520 3.327 20 30 EGEDLO CN(CC(=O)N(CCC#N)Cc1ccc(Cl)cc1)c1cccc[nH+]1 ZINC001177412304 1385946796 /nfs/dbraw/zinc/94/67/96/1385946796.db2.gz ODEGRELEEXWNLC-UHFFFAOYSA-N 1 2 342.830 3.114 20 30 EGEDLO CN(CC(=O)Nc1ccc(N2CCCCC2)c(C#N)c1)c1cccc[nH+]1 ZINC001177413093 1385947813 /nfs/dbraw/zinc/94/78/13/1385947813.db2.gz MTQKWNOQADJOQH-UHFFFAOYSA-N 1 2 349.438 3.018 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)CCCC(F)(F)F)CC2 ZINC001319407164 1386107426 /nfs/dbraw/zinc/10/74/26/1386107426.db2.gz CIWGGGKEZOYHJM-UHFFFAOYSA-N 1 2 338.801 3.396 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([NH2+]Cc2nc(CCCC)no2)[C@@H]1C ZINC001179384824 1386470302 /nfs/dbraw/zinc/47/03/02/1386470302.db2.gz XMLMKSCMRGNQIV-XHSDSOJGSA-N 1 2 348.491 3.094 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccccc1OCC1CC1 ZINC001320085473 1386501751 /nfs/dbraw/zinc/50/17/51/1386501751.db2.gz ROCQVPOQDXKEEY-UHFFFAOYSA-N 1 2 336.863 3.232 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccccc1OCC1CC1 ZINC001320085473 1386501754 /nfs/dbraw/zinc/50/17/54/1386501754.db2.gz ROCQVPOQDXKEEY-UHFFFAOYSA-N 1 2 336.863 3.232 20 30 EGEDLO C=CC[C@H]([NH2+][C@H](C)Cc1ccc(Br)cc1)C(=O)OCC ZINC001320767876 1386712299 /nfs/dbraw/zinc/71/22/99/1386712299.db2.gz ONHYOUCHXAITIU-DOMZBBRYSA-N 1 2 340.261 3.478 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)c1ccccc1OC ZINC001322315511 1387156308 /nfs/dbraw/zinc/15/63/08/1387156308.db2.gz UTBIZLKOEAJNAC-AWEZNQCLSA-N 1 2 338.879 3.162 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C(C)(C)c1ccccc1OC ZINC001322315511 1387156312 /nfs/dbraw/zinc/15/63/12/1387156312.db2.gz UTBIZLKOEAJNAC-AWEZNQCLSA-N 1 2 338.879 3.162 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC001182364646 1387157080 /nfs/dbraw/zinc/15/70/80/1387157080.db2.gz KWIOVRUXPKQNNG-GJZGRUSLSA-N 1 2 338.373 3.139 20 30 EGEDLO C#CCOc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)c1 ZINC001322666942 1387221695 /nfs/dbraw/zinc/22/16/95/1387221695.db2.gz VWGXLWIXNPUYLY-HXUWFJFHSA-N 1 2 349.434 3.087 20 30 EGEDLO C#CCOc1cccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)c1 ZINC001322666942 1387221698 /nfs/dbraw/zinc/22/16/98/1387221698.db2.gz VWGXLWIXNPUYLY-HXUWFJFHSA-N 1 2 349.434 3.087 20 30 EGEDLO CC(=O)/C=C(/C)NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001182939026 1387249514 /nfs/dbraw/zinc/24/95/14/1387249514.db2.gz XTEUJDMPFCOZRZ-LGMDPLHJSA-N 1 2 336.435 3.298 20 30 EGEDLO CCC(CC)C(=O)N[C@@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001329968310 1389275761 /nfs/dbraw/zinc/27/57/61/1389275761.db2.gz CWKZZBHBZYKFQK-ZDUSSCGKSA-N 1 2 331.435 3.070 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2cc3ccccc3o2)C1 ZINC001330030029 1389288436 /nfs/dbraw/zinc/28/84/36/1389288436.db2.gz CMJQPRXIXWMMTL-ZDUSSCGKSA-N 1 2 332.831 3.164 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001342005727 1390560772 /nfs/dbraw/zinc/56/07/72/1390560772.db2.gz UQHFZBIIGBNSHX-QFBILLFUSA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001342005727 1390560774 /nfs/dbraw/zinc/56/07/74/1390560774.db2.gz UQHFZBIIGBNSHX-QFBILLFUSA-N 1 2 347.507 3.016 20 30 EGEDLO CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)[C@@H](C)CC#N ZINC001342684254 1390640875 /nfs/dbraw/zinc/64/08/75/1390640875.db2.gz YKJGHEFYMLICQD-JKSUJKDBSA-N 1 2 340.475 3.229 20 30 EGEDLO CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)[C@@H](C)CC#N ZINC001342684254 1390640877 /nfs/dbraw/zinc/64/08/77/1390640877.db2.gz YKJGHEFYMLICQD-JKSUJKDBSA-N 1 2 340.475 3.229 20 30 EGEDLO CC(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@](C)(C#N)C1 ZINC001343506565 1390718701 /nfs/dbraw/zinc/71/87/01/1390718701.db2.gz GXJNGFGYJRDHJH-QFBILLFUSA-N 1 2 344.507 3.221 20 30 EGEDLO CC(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@](C)(C#N)C1 ZINC001343506565 1390718702 /nfs/dbraw/zinc/71/87/02/1390718702.db2.gz GXJNGFGYJRDHJH-QFBILLFUSA-N 1 2 344.507 3.221 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(CC(F)F)C1CCC1 ZINC001346187912 1390913972 /nfs/dbraw/zinc/91/39/72/1390913972.db2.gz LEXMMUFHUOJYHD-AWEZNQCLSA-N 1 2 339.434 3.245 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(CC(F)F)C1CCC1 ZINC001346187912 1390913973 /nfs/dbraw/zinc/91/39/73/1390913973.db2.gz LEXMMUFHUOJYHD-AWEZNQCLSA-N 1 2 339.434 3.245 20 30 EGEDLO CC(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](CC#N)C1 ZINC001347415089 1391072420 /nfs/dbraw/zinc/07/24/20/1391072420.db2.gz ZPQJCARGJGTZCY-SJORKVTESA-N 1 2 344.507 3.221 20 30 EGEDLO CC(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](CC#N)C1 ZINC001347415089 1391072425 /nfs/dbraw/zinc/07/24/25/1391072425.db2.gz ZPQJCARGJGTZCY-SJORKVTESA-N 1 2 344.507 3.221 20 30 EGEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(C)(C)CC1 ZINC001352495105 1391804245 /nfs/dbraw/zinc/80/42/45/1391804245.db2.gz OIROLKNHEMZNSL-UHFFFAOYSA-N 1 2 344.507 3.017 20 30 EGEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)CC1CCCC1 ZINC001352495405 1391804374 /nfs/dbraw/zinc/80/43/74/1391804374.db2.gz RUNAQOZUMCPLSJ-UHFFFAOYSA-N 1 2 344.507 3.017 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1noc2ccccc21 ZINC001480321196 1392680753 /nfs/dbraw/zinc/68/07/53/1392680753.db2.gz KKYWRNYPKSTXAF-CQSZACIVSA-N 1 2 347.846 3.094 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)Cc1noc2ccccc21 ZINC001480321196 1392680756 /nfs/dbraw/zinc/68/07/56/1392680756.db2.gz KKYWRNYPKSTXAF-CQSZACIVSA-N 1 2 347.846 3.094 20 30 EGEDLO C[N@H+](CCNC(=O)CCCc1ccsc1)Cc1ccccc1C#N ZINC001480875272 1392994606 /nfs/dbraw/zinc/99/46/06/1392994606.db2.gz FPJFFCQQLWSIAC-UHFFFAOYSA-N 1 2 341.480 3.191 20 30 EGEDLO C[N@@H+](CCNC(=O)CCCc1ccsc1)Cc1ccccc1C#N ZINC001480875272 1392994607 /nfs/dbraw/zinc/99/46/07/1392994607.db2.gz FPJFFCQQLWSIAC-UHFFFAOYSA-N 1 2 341.480 3.191 20 30 EGEDLO C[N@H+](CCNC(=O)c1cc2occc2s1)Cc1ccccc1C#N ZINC001480911625 1393015444 /nfs/dbraw/zinc/01/54/44/1393015444.db2.gz IWHGIGFANCJBCT-UHFFFAOYSA-N 1 2 339.420 3.228 20 30 EGEDLO C[N@@H+](CCNC(=O)c1cc2occc2s1)Cc1ccccc1C#N ZINC001480911625 1393015447 /nfs/dbraw/zinc/01/54/47/1393015447.db2.gz IWHGIGFANCJBCT-UHFFFAOYSA-N 1 2 339.420 3.228 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)C1CCOCC1 ZINC001491216576 1394476817 /nfs/dbraw/zinc/47/68/17/1394476817.db2.gz IJYSODXVADUUFY-INIZCTEOSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)C1CCOCC1 ZINC001491216576 1394476819 /nfs/dbraw/zinc/47/68/19/1394476819.db2.gz IJYSODXVADUUFY-INIZCTEOSA-N 1 2 342.911 3.162 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001698998743 1406801302 /nfs/dbraw/zinc/80/13/02/1406801302.db2.gz LBYCUDMIUQYADW-QZTJIDSGSA-N 1 2 345.462 3.270 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001698998743 1406801306 /nfs/dbraw/zinc/80/13/06/1406801306.db2.gz LBYCUDMIUQYADW-QZTJIDSGSA-N 1 2 345.462 3.270 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)COc1ccccc1C(C)C ZINC001725192647 1425740262 /nfs/dbraw/zinc/74/02/62/1425740262.db2.gz NRGLSLBWQVPBNV-OAHLLOKOSA-N 1 2 338.879 3.378 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)COc1ccccc1C(C)C ZINC001725192647 1425740264 /nfs/dbraw/zinc/74/02/64/1425740264.db2.gz NRGLSLBWQVPBNV-OAHLLOKOSA-N 1 2 338.879 3.378 20 30 EGEDLO CCC(CC)[C@H](C)C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001690955373 1404863637 /nfs/dbraw/zinc/86/36/37/1404863637.db2.gz RYBMFNMLAMVZSP-AWEZNQCLSA-N 1 2 333.451 3.318 20 30 EGEDLO CCC(CC)[C@H](C)C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001690955373 1404863640 /nfs/dbraw/zinc/86/36/40/1404863640.db2.gz RYBMFNMLAMVZSP-AWEZNQCLSA-N 1 2 333.451 3.318 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H]1CCc2cc(F)ccc21)C1CC1 ZINC001691217628 1405157949 /nfs/dbraw/zinc/15/79/49/1405157949.db2.gz RMSPUGZWNRNXLO-KRWDZBQOSA-N 1 2 336.838 3.189 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H]1CCc2cc(F)ccc21)C1CC1 ZINC001691217628 1405157952 /nfs/dbraw/zinc/15/79/52/1405157952.db2.gz RMSPUGZWNRNXLO-KRWDZBQOSA-N 1 2 336.838 3.189 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccc2ncsc2c1)C1CC1 ZINC001691235064 1405174343 /nfs/dbraw/zinc/17/43/43/1405174343.db2.gz HHQXOAWFYRJOAK-UHFFFAOYSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccc2ncsc2c1)C1CC1 ZINC001691235064 1405174345 /nfs/dbraw/zinc/17/43/45/1405174345.db2.gz HHQXOAWFYRJOAK-UHFFFAOYSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCc1cccc(Cl)c1 ZINC001699454799 1412799078 /nfs/dbraw/zinc/79/90/78/1412799078.db2.gz XZTRKUBEAAOZDR-ZDUSSCGKSA-N 1 2 329.271 3.462 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCc1cccc(Cl)c1 ZINC001699454799 1412799074 /nfs/dbraw/zinc/79/90/74/1412799074.db2.gz XZTRKUBEAAOZDR-ZDUSSCGKSA-N 1 2 329.271 3.462 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cc(F)cc2cccnc21 ZINC001699465485 1412832569 /nfs/dbraw/zinc/83/25/69/1412832569.db2.gz ZQNBXRJZEUHSMJ-LBPRGKRZSA-N 1 2 335.810 3.177 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cc(F)cc2cccnc21 ZINC001699465485 1412832572 /nfs/dbraw/zinc/83/25/72/1412832572.db2.gz ZQNBXRJZEUHSMJ-LBPRGKRZSA-N 1 2 335.810 3.177 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1c(C)noc1C(C)C)C1CC1 ZINC001713557559 1418350990 /nfs/dbraw/zinc/35/09/90/1418350990.db2.gz LIPRMTNIPNJQAJ-UHFFFAOYSA-N 1 2 325.840 3.053 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1c(C)noc1C(C)C)C1CC1 ZINC001713557559 1418350995 /nfs/dbraw/zinc/35/09/95/1418350995.db2.gz LIPRMTNIPNJQAJ-UHFFFAOYSA-N 1 2 325.840 3.053 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(CCC)C(=O)CC2CC2)CC1 ZINC001713853675 1418650508 /nfs/dbraw/zinc/65/05/08/1418650508.db2.gz BKIKEEZJTYPGSY-UHFFFAOYSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc2ccc(C)cc2[nH]1)C1CC1 ZINC001714669826 1419459431 /nfs/dbraw/zinc/45/94/31/1419459431.db2.gz VZBIUFFWKKDMNU-UHFFFAOYSA-N 1 2 331.847 3.423 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc2ccc(C)cc2[nH]1)C1CC1 ZINC001714669826 1419459432 /nfs/dbraw/zinc/45/94/32/1419459432.db2.gz VZBIUFFWKKDMNU-UHFFFAOYSA-N 1 2 331.847 3.423 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)COC2CCCCC2)C1 ZINC001715039214 1419776781 /nfs/dbraw/zinc/77/67/81/1419776781.db2.gz JYYYLLGUKZGEJJ-OAHLLOKOSA-N 1 2 328.884 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)COC2CCCCC2)C1 ZINC001715039214 1419776783 /nfs/dbraw/zinc/77/67/83/1419776783.db2.gz JYYYLLGUKZGEJJ-OAHLLOKOSA-N 1 2 328.884 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1coc2cc(C)ccc12 ZINC001715536722 1420232157 /nfs/dbraw/zinc/23/21/57/1420232157.db2.gz KOQRGCKMOJVJSF-UHFFFAOYSA-N 1 2 334.847 3.426 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1coc2cc(C)ccc12 ZINC001715536722 1420232162 /nfs/dbraw/zinc/23/21/62/1420232162.db2.gz KOQRGCKMOJVJSF-UHFFFAOYSA-N 1 2 334.847 3.426 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)C1(F)CCCCC1 ZINC001715976358 1420436470 /nfs/dbraw/zinc/43/64/70/1420436470.db2.gz GHRAUZAOCSLREB-UHFFFAOYSA-N 1 2 349.425 3.260 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)C1(F)CCCCC1 ZINC001715976358 1420436471 /nfs/dbraw/zinc/43/64/71/1420436471.db2.gz GHRAUZAOCSLREB-UHFFFAOYSA-N 1 2 349.425 3.260 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cnn(CCC(C)C)c1C ZINC001717494162 1421434018 /nfs/dbraw/zinc/43/40/18/1421434018.db2.gz FOAILXBTFHTUHW-CQSZACIVSA-N 1 2 340.899 3.040 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cnn(CCC(C)C)c1C ZINC001717494162 1421434019 /nfs/dbraw/zinc/43/40/19/1421434019.db2.gz FOAILXBTFHTUHW-CQSZACIVSA-N 1 2 340.899 3.040 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(OC2CCC2)cc1 ZINC001725195759 1425750079 /nfs/dbraw/zinc/75/00/79/1425750079.db2.gz PGONOTKOXPYKQR-AWEZNQCLSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(OC2CCC2)cc1 ZINC001725195759 1425750087 /nfs/dbraw/zinc/75/00/87/1425750087.db2.gz PGONOTKOXPYKQR-AWEZNQCLSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(=O)CC1CCCC1 ZINC001731528058 1427517091 /nfs/dbraw/zinc/51/70/91/1427517091.db2.gz IZAADHPGSITFBI-HNNXBMFYSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H]1CNC(=O)CC1CCCC1 ZINC001731528058 1427517097 /nfs/dbraw/zinc/51/70/97/1427517097.db2.gz IZAADHPGSITFBI-HNNXBMFYSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC1CCCC1 ZINC001731528059 1427517454 /nfs/dbraw/zinc/51/74/54/1427517454.db2.gz IZAADHPGSITFBI-OAHLLOKOSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)CC1CCCC1 ZINC001731528059 1427517456 /nfs/dbraw/zinc/51/74/56/1427517456.db2.gz IZAADHPGSITFBI-OAHLLOKOSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)C1CC1 ZINC001733931974 1437745243 /nfs/dbraw/zinc/74/52/43/1437745243.db2.gz BWPQRUOBUPNPPH-CQSZACIVSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)C1CC1 ZINC001733931974 1437745246 /nfs/dbraw/zinc/74/52/46/1437745246.db2.gz BWPQRUOBUPNPPH-CQSZACIVSA-N 1 2 343.309 3.254 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1noc(C(C)C)n1 ZINC001752158290 1440147895 /nfs/dbraw/zinc/14/78/95/1440147895.db2.gz MFOUNUKHOKRKOQ-CVEARBPZSA-N 1 2 348.491 3.409 20 30 EGEDLO CC#CCCCC(=O)N(C)C1CC[NH+]([C@@H](C)c2nnc(C)s2)CC1 ZINC001752304669 1440168735 /nfs/dbraw/zinc/16/87/35/1440168735.db2.gz UPZKQRIVFFQYFF-AWEZNQCLSA-N 1 2 348.516 3.024 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001752330226 1440171326 /nfs/dbraw/zinc/17/13/26/1440171326.db2.gz OYCDKVFYHNQLST-LJQANCHMSA-N 1 2 342.458 3.360 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001752330226 1440171328 /nfs/dbraw/zinc/17/13/28/1440171328.db2.gz OYCDKVFYHNQLST-LJQANCHMSA-N 1 2 342.458 3.360 20 30 EGEDLO C=CCC1(C(=O)NCC[C@@H](C)[NH2+]Cc2noc(C(C)(C)C)n2)CCC1 ZINC001753013712 1440267848 /nfs/dbraw/zinc/26/78/48/1440267848.db2.gz VDZZIGKTTILHJG-CQSZACIVSA-N 1 2 348.491 3.098 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1cnsn1 ZINC001753033576 1440273720 /nfs/dbraw/zinc/27/37/20/1440273720.db2.gz OVPWPTOFANGHQK-WBVHZDCISA-N 1 2 336.505 3.001 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC[C@@H]1CCC[N@H+]1Cc1cnsn1 ZINC001753033576 1440273721 /nfs/dbraw/zinc/27/37/21/1440273721.db2.gz OVPWPTOFANGHQK-WBVHZDCISA-N 1 2 336.505 3.001 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(Cl)sc1Cl ZINC001753053635 1440280477 /nfs/dbraw/zinc/28/04/77/1440280477.db2.gz RNVCMKWSOGHBHT-UHFFFAOYSA-N 1 2 327.664 3.469 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(Cl)sc1Cl ZINC001753053635 1440280478 /nfs/dbraw/zinc/28/04/78/1440280478.db2.gz RNVCMKWSOGHBHT-UHFFFAOYSA-N 1 2 327.664 3.469 20 30 EGEDLO C[C@H]1C[C@H](C(=O)NCC[N@H+](C)Cc2ccccc2C#N)C[C@@H](C)C1 ZINC001753075094 1440290898 /nfs/dbraw/zinc/29/08/98/1440290898.db2.gz ZFBDMDZWSZERMJ-MNZLEMJZSA-N 1 2 327.472 3.179 20 30 EGEDLO C[C@H]1C[C@H](C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)C[C@@H](C)C1 ZINC001753075094 1440290899 /nfs/dbraw/zinc/29/08/99/1440290899.db2.gz ZFBDMDZWSZERMJ-MNZLEMJZSA-N 1 2 327.472 3.179 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC001753092771 1440300296 /nfs/dbraw/zinc/30/02/96/1440300296.db2.gz NABCLBWKFMJVGF-HZPDHXFCSA-N 1 2 330.900 3.018 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H]2CCC[N@H+]2Cc2nc(C)oc2C)CCC1 ZINC001753111815 1440308767 /nfs/dbraw/zinc/30/87/67/1440308767.db2.gz POXLVOAIBGVQKO-INIZCTEOSA-N 1 2 331.460 3.118 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2nc(C)oc2C)CCC1 ZINC001753111815 1440308768 /nfs/dbraw/zinc/30/87/68/1440308768.db2.gz POXLVOAIBGVQKO-INIZCTEOSA-N 1 2 331.460 3.118 20 30 EGEDLO C#CCC1(C(=O)NC[C@H]2CCC[N@H+]2Cc2cc(C)on2)CCCCC1 ZINC001753120708 1440313707 /nfs/dbraw/zinc/31/37/07/1440313707.db2.gz YNUXXIZKCLWQLM-GOSISDBHSA-N 1 2 343.471 3.037 20 30 EGEDLO C#CCC1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cc(C)on2)CCCCC1 ZINC001753120708 1440313708 /nfs/dbraw/zinc/31/37/08/1440313708.db2.gz YNUXXIZKCLWQLM-GOSISDBHSA-N 1 2 343.471 3.037 20 30 EGEDLO CCC[N@H+](CCNC(=O)C#CC(C)(C)C)Cc1ncc(C(C)(C)C)o1 ZINC001753143400 1440322483 /nfs/dbraw/zinc/32/24/83/1440322483.db2.gz QZZZJRXONDGDKA-UHFFFAOYSA-N 1 2 347.503 3.350 20 30 EGEDLO CCC[N@@H+](CCNC(=O)C#CC(C)(C)C)Cc1ncc(C(C)(C)C)o1 ZINC001753143400 1440322484 /nfs/dbraw/zinc/32/24/84/1440322484.db2.gz QZZZJRXONDGDKA-UHFFFAOYSA-N 1 2 347.503 3.350 20 30 EGEDLO C=CCC(CC=C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001753307298 1440355752 /nfs/dbraw/zinc/35/57/52/1440355752.db2.gz WHZLSLGUXYJEOS-SZPZYZBQSA-N 1 2 348.490 3.482 20 30 EGEDLO C=CCC(CC=C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001753307298 1440355753 /nfs/dbraw/zinc/35/57/53/1440355753.db2.gz WHZLSLGUXYJEOS-SZPZYZBQSA-N 1 2 348.490 3.482 20 30 EGEDLO CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)c2cc(CCCCC)[nH]n2)C1 ZINC001753320097 1440362788 /nfs/dbraw/zinc/36/27/88/1440362788.db2.gz SZLRFXNSJLWQPV-SFHVURJKSA-N 1 2 344.503 3.092 20 30 EGEDLO CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)c2cc(CCCCC)[nH]n2)C1 ZINC001753320097 1440362789 /nfs/dbraw/zinc/36/27/89/1440362789.db2.gz SZLRFXNSJLWQPV-SFHVURJKSA-N 1 2 344.503 3.092 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H](CC)[NH2+][C@H](C)c2nc(C(C)C)no2)CC1 ZINC001753490037 1440419255 /nfs/dbraw/zinc/41/92/55/1440419255.db2.gz ORCDKMIITVXIIL-ZBFHGGJFSA-N 1 2 348.491 3.485 20 30 EGEDLO O=C(C[C@@H]1C=CCC1)NC[C@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001754472234 1440605750 /nfs/dbraw/zinc/60/57/50/1440605750.db2.gz MWKMBNTWQRXIII-IEBWSBKVSA-N 1 2 342.870 3.238 20 30 EGEDLO O=C(C[C@@H]1C=CCC1)NC[C@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001754472234 1440605751 /nfs/dbraw/zinc/60/57/51/1440605751.db2.gz MWKMBNTWQRXIII-IEBWSBKVSA-N 1 2 342.870 3.238 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N(C)C1C[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001754580771 1440638556 /nfs/dbraw/zinc/63/85/56/1440638556.db2.gz LUJNHTJTRHSKFU-IUODEOHRSA-N 1 2 333.303 3.315 20 30 EGEDLO C#CCN(C(=O)CCC)C1CC[NH+](Cc2ncc(C(C)C)o2)CC1 ZINC001754633477 1440648404 /nfs/dbraw/zinc/64/84/04/1440648404.db2.gz CHDCKUQLJBICSU-UHFFFAOYSA-N 1 2 331.460 3.024 20 30 EGEDLO C#CCN(C(=O)CC1(C)CC1)C1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC001754637898 1440648740 /nfs/dbraw/zinc/64/87/40/1440648740.db2.gz CFAZURDDJAQZGK-WYMLVPIESA-N 1 2 343.298 3.422 20 30 EGEDLO C#CCN(C(=O)C[C@@H](C=C)CC)C1CC[NH+](Cc2nocc2C)CC1 ZINC001754640475 1440648965 /nfs/dbraw/zinc/64/89/65/1440648965.db2.gz SPUKMQSOTOLTNN-KRWDZBQOSA-N 1 2 343.471 3.012 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@]1(C)CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC001754674005 1440659278 /nfs/dbraw/zinc/65/92/78/1440659278.db2.gz LSPHJYCWFOLVOO-FQEVSTJZSA-N 1 2 343.471 3.401 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@]1(C)CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC001754674005 1440659279 /nfs/dbraw/zinc/65/92/79/1440659279.db2.gz LSPHJYCWFOLVOO-FQEVSTJZSA-N 1 2 343.471 3.401 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(C)(CNC(=O)c2ccn(C)c2CC)CC1 ZINC001754720287 1440672924 /nfs/dbraw/zinc/67/29/24/1440672924.db2.gz KQXUUWSAGJLRON-UHFFFAOYSA-N 1 2 337.895 3.172 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1COCC[N@@H+]1Cc1ccccc1C1CC1 ZINC001754969809 1440718653 /nfs/dbraw/zinc/71/86/53/1440718653.db2.gz HRNMCCYNNSGBCD-GOSISDBHSA-N 1 2 342.483 3.093 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1COCC[N@H+]1Cc1ccccc1C1CC1 ZINC001754969809 1440718654 /nfs/dbraw/zinc/71/86/54/1440718654.db2.gz HRNMCCYNNSGBCD-GOSISDBHSA-N 1 2 342.483 3.093 20 30 EGEDLO CCCCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1occc1Cl ZINC001754971303 1440718872 /nfs/dbraw/zinc/71/88/72/1440718872.db2.gz KPEPZBSMDNRQGE-AWEZNQCLSA-N 1 2 342.867 3.334 20 30 EGEDLO CCCCCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1occc1Cl ZINC001754971303 1440718873 /nfs/dbraw/zinc/71/88/73/1440718873.db2.gz KPEPZBSMDNRQGE-AWEZNQCLSA-N 1 2 342.867 3.334 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@]2(CC[N@H+](Cc3nnc(C)s3)C2)C1 ZINC001755078219 1440749808 /nfs/dbraw/zinc/74/98/08/1440749808.db2.gz KZQQZJHURPCIKJ-GOSISDBHSA-N 1 2 348.516 3.017 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@]2(CC[N@@H+](Cc3nnc(C)s3)C2)C1 ZINC001755078219 1440749809 /nfs/dbraw/zinc/74/98/09/1440749809.db2.gz KZQQZJHURPCIKJ-GOSISDBHSA-N 1 2 348.516 3.017 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ncc(CC)o1 ZINC001755196822 1440777256 /nfs/dbraw/zinc/77/72/56/1440777256.db2.gz CIQNIYZHHKBAMT-JKSUJKDBSA-N 1 2 333.476 3.262 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ncc(CC)o1 ZINC001755196822 1440777257 /nfs/dbraw/zinc/77/72/57/1440777257.db2.gz CIQNIYZHHKBAMT-JKSUJKDBSA-N 1 2 333.476 3.262 20 30 EGEDLO C=CCC[C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)C(F)C(F)(F)F ZINC001755281130 1440800586 /nfs/dbraw/zinc/80/05/86/1440800586.db2.gz YZVGKLGTGKZDMJ-NEPJUHHUSA-N 1 2 326.378 3.316 20 30 EGEDLO C=CCC[C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@H](F)C(F)(F)F ZINC001755281130 1440800587 /nfs/dbraw/zinc/80/05/87/1440800587.db2.gz YZVGKLGTGKZDMJ-NEPJUHHUSA-N 1 2 326.378 3.316 20 30 EGEDLO C[C@@H](CNC(=O)CC#Cc1ccccc1)[N@H+](C)CC=C(Cl)Cl ZINC001755327860 1440822824 /nfs/dbraw/zinc/82/28/24/1440822824.db2.gz MCSPYENAMJWNSZ-AWEZNQCLSA-N 1 2 339.266 3.184 20 30 EGEDLO C[C@@H](CNC(=O)CC#Cc1ccccc1)[N@@H+](C)CC=C(Cl)Cl ZINC001755327860 1440822825 /nfs/dbraw/zinc/82/28/25/1440822825.db2.gz MCSPYENAMJWNSZ-AWEZNQCLSA-N 1 2 339.266 3.184 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ncc(C)o2)CC1(C)C ZINC001755410363 1440846072 /nfs/dbraw/zinc/84/60/72/1440846072.db2.gz PQUNPKSCVDECOM-LSDHHAIUSA-N 1 2 333.476 3.473 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ncc(C)o2)CC1(C)C ZINC001755410363 1440846073 /nfs/dbraw/zinc/84/60/73/1440846073.db2.gz PQUNPKSCVDECOM-LSDHHAIUSA-N 1 2 333.476 3.473 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C[C@@H](C)[NH2+][C@H](C)c2nc(CCCC)no2)C1 ZINC001755603661 1440884883 /nfs/dbraw/zinc/88/48/83/1440884883.db2.gz GLDKMYYQLTVGRN-HUUCEWRRSA-N 1 2 348.491 3.266 20 30 EGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)Cc2ccccc2Cl)CC1 ZINC001755897526 1440942894 /nfs/dbraw/zinc/94/28/94/1440942894.db2.gz AJMZJHQINQYCRG-UHFFFAOYSA-N 1 2 339.266 3.383 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)Cc2ccccc2Cl)CC1 ZINC001755897526 1440942895 /nfs/dbraw/zinc/94/28/95/1440942895.db2.gz AJMZJHQINQYCRG-UHFFFAOYSA-N 1 2 339.266 3.383 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[N@H+](Cc3ccccn3)C3CC3)o2)cc1 ZINC000180854815 234009812 /nfs/dbraw/zinc/00/98/12/234009812.db2.gz ABPKVUJXCHTARN-UHFFFAOYSA-N 1 2 331.379 3.168 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[N@@H+](Cc3ccccn3)C3CC3)o2)cc1 ZINC000180854815 234009816 /nfs/dbraw/zinc/00/98/16/234009816.db2.gz ABPKVUJXCHTARN-UHFFFAOYSA-N 1 2 331.379 3.168 20 30 EGEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000040494100 213320136 /nfs/dbraw/zinc/32/01/36/213320136.db2.gz JRHQBNRIWCNLIS-CQSZACIVSA-N 1 2 328.437 3.155 20 30 EGEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000040494100 213320137 /nfs/dbraw/zinc/32/01/37/213320137.db2.gz JRHQBNRIWCNLIS-CQSZACIVSA-N 1 2 328.437 3.155 20 30 EGEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccccc1N1CCCC1 ZINC000078594809 217081714 /nfs/dbraw/zinc/08/17/14/217081714.db2.gz KXBANBCAYRAHAH-UHFFFAOYSA-N 1 2 348.450 3.229 20 30 EGEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccccc1N1CCCC1 ZINC000078594809 217081717 /nfs/dbraw/zinc/08/17/17/217081717.db2.gz KXBANBCAYRAHAH-UHFFFAOYSA-N 1 2 348.450 3.229 20 30 EGEDLO N#Cc1cnc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)c(Cl)c1 ZINC000264131817 246093248 /nfs/dbraw/zinc/09/32/48/246093248.db2.gz YJVITEWGUXLMJM-QGZVFWFLSA-N 1 2 342.830 3.092 20 30 EGEDLO COc1cc(C#N)ccc1C[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000179655380 533496546 /nfs/dbraw/zinc/49/65/46/533496546.db2.gz RCLQSABDLTZUPF-IBGZPJMESA-N 1 2 326.371 3.279 20 30 EGEDLO COc1cc(C#N)ccc1C[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000179655380 533496550 /nfs/dbraw/zinc/49/65/50/533496550.db2.gz RCLQSABDLTZUPF-IBGZPJMESA-N 1 2 326.371 3.279 20 30 EGEDLO N#Cc1cc(F)ccc1NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000097472982 140835369 /nfs/dbraw/zinc/83/53/69/140835369.db2.gz BINIBIAOAWTCNQ-UHFFFAOYSA-N 1 2 339.374 3.014 20 30 EGEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)Cc2c(F)cccc2C#N)c1 ZINC000350626541 141257514 /nfs/dbraw/zinc/25/75/14/141257514.db2.gz AEHQBFVTXIGELC-UHFFFAOYSA-N 1 2 334.354 3.279 20 30 EGEDLO N#Cc1ccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1F ZINC000353533688 141306006 /nfs/dbraw/zinc/30/60/06/141306006.db2.gz SUEZRDIADYUCMD-UHFFFAOYSA-N 1 2 335.342 3.205 20 30 EGEDLO Cn1cc([C@@H]([NH2+]Cc2ccc(C#N)cc2F)c2ccc(F)cc2)cn1 ZINC000184589698 144095246 /nfs/dbraw/zinc/09/52/46/144095246.db2.gz LFTDIRKBYGEBOE-IBGZPJMESA-N 1 2 338.361 3.449 20 30 EGEDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000361605010 144336726 /nfs/dbraw/zinc/33/67/26/144336726.db2.gz WVOYZAZYCFKLIP-UHFFFAOYSA-N 1 2 325.799 3.474 20 30 EGEDLO Cc1ccc2c(c1)C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000361605010 144336727 /nfs/dbraw/zinc/33/67/27/144336727.db2.gz WVOYZAZYCFKLIP-UHFFFAOYSA-N 1 2 325.799 3.474 20 30 EGEDLO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCn1cc[nH+]c1 ZINC000341146842 155189698 /nfs/dbraw/zinc/18/96/98/155189698.db2.gz QNHFXLVVJSFEMP-UHFFFAOYSA-N 1 2 347.378 3.279 20 30 EGEDLO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cccc([N+](=O)[O-])c1 ZINC000341589462 155371192 /nfs/dbraw/zinc/37/11/92/155371192.db2.gz MABNXCKWPRCFCC-LBPRGKRZSA-N 1 2 349.350 3.367 20 30 EGEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1ccc(C#N)cc1F ZINC000337477903 154373856 /nfs/dbraw/zinc/37/38/56/154373856.db2.gz ZHCMHGMEOXCLGW-OAHLLOKOSA-N 1 2 339.414 3.349 20 30 EGEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000337477903 154373859 /nfs/dbraw/zinc/37/38/59/154373859.db2.gz ZHCMHGMEOXCLGW-OAHLLOKOSA-N 1 2 339.414 3.349 20 30 EGEDLO C[NH+](C)Cc1cc(NC(=O)c2ccc(C#N)c(O)c2)ccc1Cl ZINC000337262849 163185601 /nfs/dbraw/zinc/18/56/01/163185601.db2.gz YNQPKKFLEJNSDZ-UHFFFAOYSA-N 1 2 329.787 3.231 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000338590270 163283834 /nfs/dbraw/zinc/28/38/34/163283834.db2.gz DASYUMGSWWDRCQ-UHFFFAOYSA-N 1 2 347.397 3.443 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000338590270 163283835 /nfs/dbraw/zinc/28/38/35/163283835.db2.gz DASYUMGSWWDRCQ-UHFFFAOYSA-N 1 2 347.397 3.443 20 30 EGEDLO CCc1nnc(NCc2ccc(N(CC)CC)[nH+]c2)c(C#N)c1CC ZINC000343857714 164052286 /nfs/dbraw/zinc/05/22/86/164052286.db2.gz VBMRMRBAGQOFQU-UHFFFAOYSA-N 1 2 338.459 3.326 20 30 EGEDLO C[N@H+](Cc1ccc(F)cc1C#N)[C@H]1CCCN(c2ccccc2)C1=O ZINC000360253326 167283501 /nfs/dbraw/zinc/28/35/01/167283501.db2.gz ZJOINIADSUNFQQ-IBGZPJMESA-N 1 2 337.398 3.325 20 30 EGEDLO C[N@@H+](Cc1ccc(F)cc1C#N)[C@H]1CCCN(c2ccccc2)C1=O ZINC000360253326 167283502 /nfs/dbraw/zinc/28/35/02/167283502.db2.gz ZJOINIADSUNFQQ-IBGZPJMESA-N 1 2 337.398 3.325 20 30 EGEDLO C[N@H+](Cc1csc2ccccc12)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360285245 167289786 /nfs/dbraw/zinc/28/97/86/167289786.db2.gz JGHQAICCGTWLSS-GOSISDBHSA-N 1 2 335.432 3.431 20 30 EGEDLO C[N@@H+](Cc1csc2ccccc12)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360285245 167289788 /nfs/dbraw/zinc/28/97/88/167289788.db2.gz JGHQAICCGTWLSS-GOSISDBHSA-N 1 2 335.432 3.431 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)s1 ZINC000123495439 222286838 /nfs/dbraw/zinc/28/68/38/222286838.db2.gz IDFIFQBATQPQBO-UHFFFAOYSA-N 1 2 331.466 3.029 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)s1 ZINC000123495439 222286840 /nfs/dbraw/zinc/28/68/40/222286840.db2.gz IDFIFQBATQPQBO-UHFFFAOYSA-N 1 2 331.466 3.029 20 30 EGEDLO N#Cc1c(Cl)cccc1NCc1ccc[nH+]c1N1CCOCC1 ZINC000298288549 270042972 /nfs/dbraw/zinc/04/29/72/270042972.db2.gz WWHYIALDZJPYGX-UHFFFAOYSA-N 1 2 328.803 3.055 20 30 EGEDLO Cc1cnc(C(C)(C)[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)s1 ZINC000298953235 270043724 /nfs/dbraw/zinc/04/37/24/270043724.db2.gz OOFCLYDEFHVZBO-LBPRGKRZSA-N 1 2 346.481 3.015 20 30 EGEDLO CC(=O)c1cccc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425529903 270049253 /nfs/dbraw/zinc/04/92/53/270049253.db2.gz CZOWSUVVFLDMBL-AWEZNQCLSA-N 1 2 335.407 3.392 20 30 EGEDLO CC(=O)c1cccc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425529903 270049255 /nfs/dbraw/zinc/04/92/55/270049255.db2.gz CZOWSUVVFLDMBL-AWEZNQCLSA-N 1 2 335.407 3.392 20 30 EGEDLO CCc1ccccc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000431775936 270050322 /nfs/dbraw/zinc/05/03/22/270050322.db2.gz LCNDKHODBTUGHD-UHFFFAOYSA-N 1 2 333.435 3.079 20 30 EGEDLO N#Cc1nc(NCCCc2[nH]c3ccccc3[nH+]2)ccc1C(F)(F)F ZINC000443437833 270052217 /nfs/dbraw/zinc/05/22/17/270052217.db2.gz PYRNJSPGIJQNHM-UHFFFAOYSA-N 1 2 345.328 3.315 20 30 EGEDLO Cc1cn2c([nH+]1)[C@@H](CNc1c(C#N)cnc3c(C)cc(F)cc31)CCC2 ZINC000533560862 270060790 /nfs/dbraw/zinc/06/07/90/270060790.db2.gz VKBYXGNPJXFPLN-CQSZACIVSA-N 1 2 349.413 3.470 20 30 EGEDLO Cc1[nH+]c2cc(NC(=O)C3(c4cccc(C#N)c4)CC3)ccc2n1C ZINC000533397314 270060827 /nfs/dbraw/zinc/06/08/27/270060827.db2.gz ZXPYJFORGXAYKP-UHFFFAOYSA-N 1 2 330.391 3.424 20 30 EGEDLO CC(C)OC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000533475818 270060844 /nfs/dbraw/zinc/06/08/44/270060844.db2.gz YEUHFGVSJSJCPS-UHFFFAOYSA-N 1 2 335.835 3.040 20 30 EGEDLO N#Cc1c(NCc2[nH+]ccn2CCc2ccccc2)nc2ccccn12 ZINC000193468557 266034650 /nfs/dbraw/zinc/03/46/50/266034650.db2.gz XRXJCMJZGZQGDF-UHFFFAOYSA-N 1 2 342.406 3.257 20 30 EGEDLO CCN(C(C)=O)c1nc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cs1 ZINC000298776110 266099533 /nfs/dbraw/zinc/09/95/33/266099533.db2.gz IRFJEDDAEZCFFV-LBPRGKRZSA-N 1 2 328.441 3.238 20 30 EGEDLO CCCc1csc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000426033459 267042717 /nfs/dbraw/zinc/04/27/17/267042717.db2.gz BXXXSGQRRHNKFE-UHFFFAOYSA-N 1 2 340.496 3.285 20 30 EGEDLO C[C@@H]1CN(c2ccc(Nc3nc(Cl)c(C#N)s3)c[nH+]2)C[C@H](C)O1 ZINC000286441967 267062937 /nfs/dbraw/zinc/06/29/37/267062937.db2.gz QXAQOIOPOLWSJA-AOOOYVTPSA-N 1 2 349.847 3.420 20 30 EGEDLO CC[N@H+](Cc1nnnn1Cc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000516616517 267072956 /nfs/dbraw/zinc/07/29/56/267072956.db2.gz BINZRFMFKFEMIO-MRXNPFEDSA-N 1 2 346.438 3.176 20 30 EGEDLO CC[N@@H+](Cc1nnnn1Cc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000516616517 267072960 /nfs/dbraw/zinc/07/29/60/267072960.db2.gz BINZRFMFKFEMIO-MRXNPFEDSA-N 1 2 346.438 3.176 20 30 EGEDLO C[N@H+](Cc1cc(F)cc(F)c1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000444699046 267311149 /nfs/dbraw/zinc/31/11/49/267311149.db2.gz CYCWCYLGBOYWTB-HNNXBMFYSA-N 1 2 347.390 3.135 20 30 EGEDLO C[N@@H+](Cc1cc(F)cc(F)c1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000444699046 267311152 /nfs/dbraw/zinc/31/11/52/267311152.db2.gz CYCWCYLGBOYWTB-HNNXBMFYSA-N 1 2 347.390 3.135 20 30 EGEDLO Cc1ccc(-c2n[nH]cc2C[NH+]2CC(Oc3ccc(C#N)cc3)C2)o1 ZINC000459611555 268023173 /nfs/dbraw/zinc/02/31/73/268023173.db2.gz LQILEHWEKDPTFP-UHFFFAOYSA-N 1 2 334.379 3.113 20 30 EGEDLO Cc1nn2c(C[N@@H+](C)Cc3cc(C#N)ccc3F)c(C)nc2s1 ZINC000505274652 268093963 /nfs/dbraw/zinc/09/39/63/268093963.db2.gz VALLJUZRRFUXET-UHFFFAOYSA-N 1 2 329.404 3.050 20 30 EGEDLO Cc1nn2c(C[N@H+](C)Cc3cc(C#N)ccc3F)c(C)nc2s1 ZINC000505274652 268093967 /nfs/dbraw/zinc/09/39/67/268093967.db2.gz VALLJUZRRFUXET-UHFFFAOYSA-N 1 2 329.404 3.050 20 30 EGEDLO Cc1noc(C)c1C[NH+]1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000439432967 268095621 /nfs/dbraw/zinc/09/56/21/268095621.db2.gz XLPZMZUZHYOLMC-UHFFFAOYSA-N 1 2 344.846 3.134 20 30 EGEDLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)cc1C#N ZINC000453614886 268127352 /nfs/dbraw/zinc/12/73/52/268127352.db2.gz PRHNYOHGIUVSSI-MRXNPFEDSA-N 1 2 345.244 3.391 20 30 EGEDLO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)cc1C#N ZINC000453614886 268127353 /nfs/dbraw/zinc/12/73/53/268127353.db2.gz PRHNYOHGIUVSSI-MRXNPFEDSA-N 1 2 345.244 3.391 20 30 EGEDLO N#Cc1c(F)cccc1OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421221015 268165170 /nfs/dbraw/zinc/16/51/70/268165170.db2.gz YFLGUYWSDWUQCP-UHFFFAOYSA-N 1 2 326.371 3.109 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC4CCC3CC4)CC2)cc1 ZINC000430877980 268220475 /nfs/dbraw/zinc/22/04/75/268220475.db2.gz KYLNRQABPLJWTB-RRWXTXHCSA-N 1 2 337.467 3.029 20 30 EGEDLO N#Cc1cccc(CCNC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000493348172 268278803 /nfs/dbraw/zinc/27/88/03/268278803.db2.gz FAFNDQUCELAHHF-RMKNXTFCSA-N 1 2 342.402 3.116 20 30 EGEDLO N#Cc1ccc(/C=C/c2nc(Cc3cn4ccccc4[nH+]3)no2)cc1 ZINC000544071920 314671264 /nfs/dbraw/zinc/67/12/64/314671264.db2.gz LNBIXOGNEKFJQS-CMDGGOBGSA-N 1 2 327.347 3.350 20 30 EGEDLO Cc1cccn2cc(CC(=O)Nc3cc(C#N)ccc3NC3CC3)[nH+]c12 ZINC000560707309 315719126 /nfs/dbraw/zinc/71/91/26/315719126.db2.gz PYSGRJCKEYHZPX-UHFFFAOYSA-N 1 2 345.406 3.270 20 30 EGEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1c1ncc(C#N)cc1F ZINC000570781003 317106938 /nfs/dbraw/zinc/10/69/38/317106938.db2.gz SXRSVKNCPZYISS-HNNXBMFYSA-N 1 2 335.386 3.420 20 30 EGEDLO Cc1ccc[nH+]c1CCc1noc(-c2cc(C#N)cc(N(C)C)c2)n1 ZINC000570792131 317108314 /nfs/dbraw/zinc/10/83/14/317108314.db2.gz UFCDGWJFWRWTKB-UHFFFAOYSA-N 1 2 333.395 3.163 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000186282165 323727551 /nfs/dbraw/zinc/72/75/51/323727551.db2.gz WNASHKDHBUCRBI-LBPRGKRZSA-N 1 2 329.341 3.137 20 30 EGEDLO CC(C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3)c2C1 ZINC000180713158 455232555 /nfs/dbraw/zinc/23/25/55/455232555.db2.gz WBXVEQVWGXVBCG-UHFFFAOYSA-N 1 2 341.436 3.083 20 30 EGEDLO CC(C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3)c2C1 ZINC000180713158 455232559 /nfs/dbraw/zinc/23/25/59/455232559.db2.gz WBXVEQVWGXVBCG-UHFFFAOYSA-N 1 2 341.436 3.083 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000376523678 458327664 /nfs/dbraw/zinc/32/76/64/458327664.db2.gz CFIGQCWMKSLATB-BBRMVZONSA-N 1 2 335.245 3.322 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000376523678 458327666 /nfs/dbraw/zinc/32/76/66/458327666.db2.gz CFIGQCWMKSLATB-BBRMVZONSA-N 1 2 335.245 3.322 20 30 EGEDLO COc1ncc(Br)cc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000595287439 459267525 /nfs/dbraw/zinc/26/75/25/459267525.db2.gz IOPICZLSCGVNFW-UHFFFAOYSA-N 1 2 346.228 3.356 20 30 EGEDLO COc1ncc(Br)cc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000595287439 459267532 /nfs/dbraw/zinc/26/75/32/459267532.db2.gz IOPICZLSCGVNFW-UHFFFAOYSA-N 1 2 346.228 3.356 20 30 EGEDLO COC[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccc(C(F)(F)F)c1 ZINC000591740815 459428292 /nfs/dbraw/zinc/42/82/92/459428292.db2.gz NKVLQZHUJAYIEY-DOMZBBRYSA-N 1 2 325.334 3.426 20 30 EGEDLO C[C@@]1(C#N)CCC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000612167336 460558740 /nfs/dbraw/zinc/55/87/40/460558740.db2.gz MHFUEVVQYYEURL-LRDDRELGSA-N 1 2 343.254 3.359 20 30 EGEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000612167336 460558746 /nfs/dbraw/zinc/55/87/46/460558746.db2.gz MHFUEVVQYYEURL-LRDDRELGSA-N 1 2 343.254 3.359 20 30 EGEDLO N#CC1(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CCC1 ZINC000265448368 455326421 /nfs/dbraw/zinc/32/64/21/455326421.db2.gz NFLVEYYIMUTFSX-HNNXBMFYSA-N 1 2 349.837 3.426 20 30 EGEDLO COc1ccc([C@H]([NH2+]Cc2cccc(C#N)c2)c2nccn2C)cc1 ZINC000030650194 453837400 /nfs/dbraw/zinc/83/74/00/453837400.db2.gz OPZJUAQCHYQEQF-IBGZPJMESA-N 1 2 332.407 3.180 20 30 EGEDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000075275829 453875029 /nfs/dbraw/zinc/87/50/29/453875029.db2.gz SFOPTAXWWMJBRT-CQSZACIVSA-N 1 2 332.407 3.348 20 30 EGEDLO C[N@H+](Cc1nc(CCc2ccccc2)no1)Cc1cccc(C#N)c1 ZINC000075596249 453909361 /nfs/dbraw/zinc/90/93/61/453909361.db2.gz ZOIOVFOGBLDLMR-UHFFFAOYSA-N 1 2 332.407 3.358 20 30 EGEDLO C[N@@H+](Cc1nc(CCc2ccccc2)no1)Cc1cccc(C#N)c1 ZINC000075596249 453909363 /nfs/dbraw/zinc/90/93/63/453909363.db2.gz ZOIOVFOGBLDLMR-UHFFFAOYSA-N 1 2 332.407 3.358 20 30 EGEDLO N#Cc1csc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000084180292 453975345 /nfs/dbraw/zinc/97/53/45/453975345.db2.gz QYOPABJWNMBDMA-QPJJXVBHSA-N 1 2 337.448 3.091 20 30 EGEDLO N#Cc1csc(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)c1 ZINC000084181557 453975470 /nfs/dbraw/zinc/97/54/70/453975470.db2.gz IAKZYWOFDHCFQX-UHFFFAOYSA-N 1 2 340.452 3.325 20 30 EGEDLO Cc1cccc([C@H](CNc2cccc(F)c2C#N)[NH+]2CCOCC2)c1 ZINC000042109338 453995051 /nfs/dbraw/zinc/99/50/51/453995051.db2.gz MHPQCWORLCJQEQ-FQEVSTJZSA-N 1 2 339.414 3.491 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CC)Cc1ccc(Cl)s1 ZINC000076606255 454019178 /nfs/dbraw/zinc/01/91/78/454019178.db2.gz YQLKEJFELNLTCT-GFCCVEGCSA-N 1 2 327.881 3.232 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CC)Cc1ccc(Cl)s1 ZINC000076606255 454019181 /nfs/dbraw/zinc/01/91/81/454019181.db2.gz YQLKEJFELNLTCT-GFCCVEGCSA-N 1 2 327.881 3.232 20 30 EGEDLO N#CC1CC[NH+](CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000057907068 454156010 /nfs/dbraw/zinc/15/60/10/454156010.db2.gz IDZVINPRTWGULU-OAQYLSRUSA-N 1 2 347.462 3.322 20 30 EGEDLO C=C(C)CN(CC)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000045532374 454165813 /nfs/dbraw/zinc/16/58/13/454165813.db2.gz TVGKKQUEJJVTGW-UHFFFAOYSA-N 1 2 326.444 3.082 20 30 EGEDLO C[C@@H](c1nccs1)N1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000184661821 455423227 /nfs/dbraw/zinc/42/32/27/455423227.db2.gz RHHULZNAZXOCID-GJZGRUSLSA-N 1 2 326.469 3.455 20 30 EGEDLO Cc1sc2[nH]c(C[N@@H+](C)Cc3ccc(C#N)cc3)nc(=O)c2c1C ZINC000089883024 454224979 /nfs/dbraw/zinc/22/49/79/454224979.db2.gz BVZDQOFGVPRAIE-UHFFFAOYSA-N 1 2 338.436 3.105 20 30 EGEDLO Cc1sc2[nH]c(C[N@H+](C)Cc3ccc(C#N)cc3)nc(=O)c2c1C ZINC000089883024 454224984 /nfs/dbraw/zinc/22/49/84/454224984.db2.gz BVZDQOFGVPRAIE-UHFFFAOYSA-N 1 2 338.436 3.105 20 30 EGEDLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046519182 454259805 /nfs/dbraw/zinc/25/98/05/454259805.db2.gz YAUVRSILUPKHHO-AWEZNQCLSA-N 1 2 335.407 3.220 20 30 EGEDLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046519182 454259813 /nfs/dbraw/zinc/25/98/13/454259813.db2.gz YAUVRSILUPKHHO-AWEZNQCLSA-N 1 2 335.407 3.220 20 30 EGEDLO N#CCC[C@H](NC(=O)NCCc1cn2ccccc2[nH+]1)c1ccccc1 ZINC000131643183 454272836 /nfs/dbraw/zinc/27/28/36/454272836.db2.gz SSLOOLKJYQLFET-SFHVURJKSA-N 1 2 347.422 3.221 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120307936 454284914 /nfs/dbraw/zinc/28/49/14/454284914.db2.gz OSNQQTMEVJIDEA-GFCCVEGCSA-N 1 2 330.819 3.009 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120307936 454284923 /nfs/dbraw/zinc/28/49/23/454284923.db2.gz OSNQQTMEVJIDEA-GFCCVEGCSA-N 1 2 330.819 3.009 20 30 EGEDLO N#Cc1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c(Br)c1 ZINC000120412769 454298651 /nfs/dbraw/zinc/29/86/51/454298651.db2.gz GPINEIYLUWVCSO-CYBMUJFWSA-N 1 2 343.228 3.407 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000060995536 454323825 /nfs/dbraw/zinc/32/38/25/454323825.db2.gz PLWMEMFGZKJKAF-AWEZNQCLSA-N 1 2 329.469 3.490 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000060995536 454323830 /nfs/dbraw/zinc/32/38/30/454323830.db2.gz PLWMEMFGZKJKAF-AWEZNQCLSA-N 1 2 329.469 3.490 20 30 EGEDLO COCC[N@H+](CCC#N)Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000132309109 454328747 /nfs/dbraw/zinc/32/87/47/454328747.db2.gz BOICUMRCSGNSPI-UHFFFAOYSA-N 1 2 342.395 3.095 20 30 EGEDLO COCC[N@@H+](CCC#N)Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000132309109 454328749 /nfs/dbraw/zinc/32/87/49/454328749.db2.gz BOICUMRCSGNSPI-UHFFFAOYSA-N 1 2 342.395 3.095 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)CCc2nccs2)c1C#N ZINC000091075082 454377538 /nfs/dbraw/zinc/37/75/38/454377538.db2.gz NNABNFNMYMKTDY-UHFFFAOYSA-N 1 2 337.452 3.183 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)CCc2nccs2)c1C#N ZINC000091075082 454377543 /nfs/dbraw/zinc/37/75/43/454377543.db2.gz NNABNFNMYMKTDY-UHFFFAOYSA-N 1 2 337.452 3.183 20 30 EGEDLO C=CCNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000047606113 454389255 /nfs/dbraw/zinc/38/92/55/454389255.db2.gz QCFFSIGOKZXTKM-AWEZNQCLSA-N 1 2 325.815 3.101 20 30 EGEDLO Oc1ccccc1/C=[NH+]/CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000063427685 454411868 /nfs/dbraw/zinc/41/18/68/454411868.db2.gz QYMPKWIINSVUQI-CIAFOILYSA-N 1 2 339.391 3.288 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(O)c2)c(C#N)c1C ZINC000121290339 454417363 /nfs/dbraw/zinc/41/73/63/454417363.db2.gz ZHQCKMDMOMFWNS-LBPRGKRZSA-N 1 2 327.384 3.105 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(O)c2)c(C#N)c1C ZINC000121290339 454417368 /nfs/dbraw/zinc/41/73/68/454417368.db2.gz ZHQCKMDMOMFWNS-LBPRGKRZSA-N 1 2 327.384 3.105 20 30 EGEDLO CCc1c(C(=O)C[N@H+](C)Cc2ccc(C#N)cc2)[nH]c(C)c1C(C)=O ZINC000063495140 454417927 /nfs/dbraw/zinc/41/79/27/454417927.db2.gz TWMNMWUPEMQAHR-UHFFFAOYSA-N 1 2 337.423 3.275 20 30 EGEDLO CCc1c(C(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)[nH]c(C)c1C(C)=O ZINC000063495140 454417934 /nfs/dbraw/zinc/41/79/34/454417934.db2.gz TWMNMWUPEMQAHR-UHFFFAOYSA-N 1 2 337.423 3.275 20 30 EGEDLO COCC[N@H+](Cc1ncc(C(C)(C)C)o1)Cc1ccc(C#N)cc1 ZINC000063753841 454444451 /nfs/dbraw/zinc/44/44/51/454444451.db2.gz GDSHSANDUWDZDK-UHFFFAOYSA-N 1 2 327.428 3.492 20 30 EGEDLO COCC[N@@H+](Cc1ncc(C(C)(C)C)o1)Cc1ccc(C#N)cc1 ZINC000063753841 454444456 /nfs/dbraw/zinc/44/44/56/454444456.db2.gz GDSHSANDUWDZDK-UHFFFAOYSA-N 1 2 327.428 3.492 20 30 EGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1ccco1 ZINC000073618639 454459087 /nfs/dbraw/zinc/45/90/87/454459087.db2.gz LACYARXAIZQRGL-CQSZACIVSA-N 1 2 329.375 3.186 20 30 EGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1ccco1 ZINC000073618639 454459089 /nfs/dbraw/zinc/45/90/89/454459089.db2.gz LACYARXAIZQRGL-CQSZACIVSA-N 1 2 329.375 3.186 20 30 EGEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000091842953 454480766 /nfs/dbraw/zinc/48/07/66/454480766.db2.gz YOCJKZBAYWGJRK-CQSZACIVSA-N 1 2 331.847 3.190 20 30 EGEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000091842953 454480772 /nfs/dbraw/zinc/48/07/72/454480772.db2.gz YOCJKZBAYWGJRK-CQSZACIVSA-N 1 2 331.847 3.190 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000121822967 454481237 /nfs/dbraw/zinc/48/12/37/454481237.db2.gz FDQWTYGVQZJDJO-SFHVURJKSA-N 1 2 339.439 3.403 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000091858517 454482311 /nfs/dbraw/zinc/48/23/11/454482311.db2.gz XRPLWLINECKFJG-UHFFFAOYSA-N 1 2 331.847 3.191 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000091858517 454482317 /nfs/dbraw/zinc/48/23/17/454482317.db2.gz XRPLWLINECKFJG-UHFFFAOYSA-N 1 2 331.847 3.191 20 30 EGEDLO N#Cc1cccc(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)c1 ZINC000048934582 454522745 /nfs/dbraw/zinc/52/27/45/454522745.db2.gz AZJADFUEZWCATE-UHFFFAOYSA-N 1 2 334.423 3.264 20 30 EGEDLO C=CC[N@@H+](Cc1c(CC)oc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000092361262 454556637 /nfs/dbraw/zinc/55/66/37/454556637.db2.gz HGHXJLCWEAZIKU-AWEZNQCLSA-N 1 2 333.453 3.170 20 30 EGEDLO C=CC[N@H+](Cc1c(CC)oc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000092361262 454556640 /nfs/dbraw/zinc/55/66/40/454556640.db2.gz HGHXJLCWEAZIKU-AWEZNQCLSA-N 1 2 333.453 3.170 20 30 EGEDLO Cc1cccc(C2=CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)c1 ZINC000092821738 454641562 /nfs/dbraw/zinc/64/15/62/454641562.db2.gz CJUMVXQSWYMVIK-HXUWFJFHSA-N 1 2 325.456 3.139 20 30 EGEDLO Cc1cccc(C2=CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)c1 ZINC000092821738 454641565 /nfs/dbraw/zinc/64/15/65/454641565.db2.gz CJUMVXQSWYMVIK-HXUWFJFHSA-N 1 2 325.456 3.139 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c(F)c1 ZINC000080908311 454645703 /nfs/dbraw/zinc/64/57/03/454645703.db2.gz OHRXRFWFWUCZFB-HXUWFJFHSA-N 1 2 334.398 3.080 20 30 EGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1snc(Cl)c1C#N ZINC000080978836 454664380 /nfs/dbraw/zinc/66/43/80/454664380.db2.gz LRJWGVIMJPSZNB-UHFFFAOYSA-N 1 2 335.742 3.063 20 30 EGEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000093259791 454696497 /nfs/dbraw/zinc/69/64/97/454696497.db2.gz WGOOJVDGXXRLHZ-NSHDSACASA-N 1 2 347.509 3.229 20 30 EGEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000093259791 454696501 /nfs/dbraw/zinc/69/65/01/454696501.db2.gz WGOOJVDGXXRLHZ-NSHDSACASA-N 1 2 347.509 3.229 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cccnc2)c1 ZINC000161655251 454711718 /nfs/dbraw/zinc/71/17/18/454711718.db2.gz ZEWFJVOXHABZIU-UHFFFAOYSA-N 1 2 336.439 3.077 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)Cc2cccnc2)c1 ZINC000161655251 454711726 /nfs/dbraw/zinc/71/17/26/454711726.db2.gz ZEWFJVOXHABZIU-UHFFFAOYSA-N 1 2 336.439 3.077 20 30 EGEDLO N#CCC[N@@H+](CCC(=O)NCc1ccccc1Cl)Cc1ccco1 ZINC000177027371 454812822 /nfs/dbraw/zinc/81/28/22/454812822.db2.gz PUQZQNFYRPHFIS-UHFFFAOYSA-N 1 2 345.830 3.355 20 30 EGEDLO N#CCC[N@H+](CCC(=O)NCc1ccccc1Cl)Cc1ccco1 ZINC000177027371 454812826 /nfs/dbraw/zinc/81/28/26/454812826.db2.gz PUQZQNFYRPHFIS-UHFFFAOYSA-N 1 2 345.830 3.355 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cscc3Cl)CC2)cc1 ZINC000600946238 460655535 /nfs/dbraw/zinc/65/55/35/460655535.db2.gz QQHJQUKHVIVOHG-UHFFFAOYSA-N 1 2 345.855 3.231 20 30 EGEDLO Cc1cccn2c(/C=C/C(=O)c3cccc(N4CCOC4=O)c3)c[nH+]c12 ZINC000125356517 454817099 /nfs/dbraw/zinc/81/70/99/454817099.db2.gz PZMSQBCCAZPJBD-BQYQJAHWSA-N 1 2 347.374 3.495 20 30 EGEDLO CCc1ccc([C@@H]2COCC[N@@H+]2CCOc2cccc(C#N)c2)o1 ZINC000126102291 454870830 /nfs/dbraw/zinc/87/08/30/454870830.db2.gz JWBHVKMBJAHBKZ-SFHVURJKSA-N 1 2 326.396 3.166 20 30 EGEDLO CCc1ccc([C@@H]2COCC[N@H+]2CCOc2cccc(C#N)c2)o1 ZINC000126102291 454870834 /nfs/dbraw/zinc/87/08/34/454870834.db2.gz JWBHVKMBJAHBKZ-SFHVURJKSA-N 1 2 326.396 3.166 20 30 EGEDLO COc1ccc(C#N)cc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000150314789 454881314 /nfs/dbraw/zinc/88/13/14/454881314.db2.gz DZLMUUIAGWRSCX-UHFFFAOYSA-N 1 2 332.363 3.064 20 30 EGEDLO CC(C)(C#N)c1ccc(NC(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000178172627 454940692 /nfs/dbraw/zinc/94/06/92/454940692.db2.gz DFQDTSZHXVWVPT-UHFFFAOYSA-N 1 2 333.395 3.457 20 30 EGEDLO N#CCCCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000178377874 454953110 /nfs/dbraw/zinc/95/31/10/454953110.db2.gz CLBCUVGBULOZJO-QZTJIDSGSA-N 1 2 337.427 3.105 20 30 EGEDLO Cc1c(C#N)cccc1NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000178544075 454961534 /nfs/dbraw/zinc/96/15/34/454961534.db2.gz QXGGAFSAHNDICQ-INIZCTEOSA-N 1 2 349.438 3.172 20 30 EGEDLO Cc1cccc2[nH+]c(CNC(=O)N[C@@H](CCC#N)c3ccccc3)cn21 ZINC000178809398 454980304 /nfs/dbraw/zinc/98/03/04/454980304.db2.gz ZLVSAXFOFUOHIA-SFHVURJKSA-N 1 2 347.422 3.487 20 30 EGEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)CCN1CC(F)(F)F ZINC000128287497 455042563 /nfs/dbraw/zinc/04/25/63/455042563.db2.gz FNSJMSQCUFKXLN-CYBMUJFWSA-N 1 2 330.781 3.260 20 30 EGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CCN1CC(F)(F)F ZINC000128287497 455042566 /nfs/dbraw/zinc/04/25/66/455042566.db2.gz FNSJMSQCUFKXLN-CYBMUJFWSA-N 1 2 330.781 3.260 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](OCC)C1 ZINC000156009038 455071863 /nfs/dbraw/zinc/07/18/63/455071863.db2.gz XRCMOHOIDDHVOR-HNNXBMFYSA-N 1 2 334.485 3.404 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](OCC)C1 ZINC000156009038 455071864 /nfs/dbraw/zinc/07/18/64/455071864.db2.gz XRCMOHOIDDHVOR-HNNXBMFYSA-N 1 2 334.485 3.404 20 30 EGEDLO C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(C)[nH+]c2C)c1 ZINC000129330966 455107060 /nfs/dbraw/zinc/10/70/60/455107060.db2.gz AJTNZDQUUDNXCX-UHFFFAOYSA-N 1 2 339.395 3.231 20 30 EGEDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000265507035 455335536 /nfs/dbraw/zinc/33/55/36/455335536.db2.gz JLRLCQNJXBPDCD-CYBMUJFWSA-N 1 2 328.366 3.115 20 30 EGEDLO N#CC[N@@H+](C[C@H](O)COc1cccc(C(F)(F)F)c1)C1CCCC1 ZINC000265672000 455359945 /nfs/dbraw/zinc/35/99/45/455359945.db2.gz XXUAIAOQTSNBEY-HNNXBMFYSA-N 1 2 342.361 3.213 20 30 EGEDLO N#CC[N@H+](C[C@H](O)COc1cccc(C(F)(F)F)c1)C1CCCC1 ZINC000265672000 455359947 /nfs/dbraw/zinc/35/99/47/455359947.db2.gz XXUAIAOQTSNBEY-HNNXBMFYSA-N 1 2 342.361 3.213 20 30 EGEDLO C=CCN(CC=C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000159238933 455363748 /nfs/dbraw/zinc/36/37/48/455363748.db2.gz DTBATVCRARQXIQ-UHFFFAOYSA-N 1 2 326.400 3.168 20 30 EGEDLO COc1ccc(OCc2ccccn2)c(C[NH2+]CC(C)(C)C#N)c1 ZINC000612585903 460669933 /nfs/dbraw/zinc/66/99/33/460669933.db2.gz WFKPXJNSQUUKQN-UHFFFAOYSA-N 1 2 325.412 3.309 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)NCCCCC#N)CC1 ZINC000174726983 455412634 /nfs/dbraw/zinc/41/26/34/455412634.db2.gz ZPKZJTUCHVLDSW-HNNXBMFYSA-N 1 2 348.878 3.422 20 30 EGEDLO CC(C)(C#N)CCC[N@@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000174871010 455417367 /nfs/dbraw/zinc/41/73/67/455417367.db2.gz CEHUJZLHSJHNCF-UHFFFAOYSA-N 1 2 333.863 3.314 20 30 EGEDLO CC(C)(C#N)CCC[N@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000174871010 455417371 /nfs/dbraw/zinc/41/73/71/455417371.db2.gz CEHUJZLHSJHNCF-UHFFFAOYSA-N 1 2 333.863 3.314 20 30 EGEDLO Cc1cc(F)cc2c1ncc(C#N)c2N1CCN(c2cccc[nH+]2)CC1 ZINC000266054253 455421772 /nfs/dbraw/zinc/42/17/72/455421772.db2.gz DRPYJHQJCSXDSS-UHFFFAOYSA-N 1 2 347.397 3.276 20 30 EGEDLO C=C(Cl)CNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000266561955 455430714 /nfs/dbraw/zinc/43/07/14/455430714.db2.gz ULHXJYOTJNIKMG-UHFFFAOYSA-N 1 2 336.867 3.082 20 30 EGEDLO COCCN(C)c1ccc(/C=C/C(=O)c2sccc2OC)c[nH+]1 ZINC000191339999 455478167 /nfs/dbraw/zinc/47/81/67/455478167.db2.gz OZTXJOCGZOOAQA-GQCTYLIASA-N 1 2 332.425 3.130 20 30 EGEDLO N#Cc1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000266937307 455478443 /nfs/dbraw/zinc/47/84/43/455478443.db2.gz BEVKWPRCBQDKAH-UHFFFAOYSA-N 1 2 329.791 3.346 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)ccc1F ZINC000160750297 455495126 /nfs/dbraw/zinc/49/51/26/455495126.db2.gz GGXKIYCIEKMOGW-UHFFFAOYSA-N 1 2 337.398 3.045 20 30 EGEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)ccc1F ZINC000160750297 455495130 /nfs/dbraw/zinc/49/51/30/455495130.db2.gz GGXKIYCIEKMOGW-UHFFFAOYSA-N 1 2 337.398 3.045 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000246562284 455507991 /nfs/dbraw/zinc/50/79/91/455507991.db2.gz RISBZADIWXNUNT-VYDXJSESSA-N 1 2 336.501 3.323 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000246562284 455507994 /nfs/dbraw/zinc/50/79/94/455507994.db2.gz RISBZADIWXNUNT-VYDXJSESSA-N 1 2 336.501 3.323 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000246562292 455508175 /nfs/dbraw/zinc/50/81/75/455508175.db2.gz RISBZADIWXNUNT-YQQAZPJKSA-N 1 2 336.501 3.323 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000246562292 455508177 /nfs/dbraw/zinc/50/81/77/455508177.db2.gz RISBZADIWXNUNT-YQQAZPJKSA-N 1 2 336.501 3.323 20 30 EGEDLO N#Cc1cnn(C(=O)Cn2c3ccccc3[nH+]c2C2CCCCC2)c1N ZINC000161481081 455574045 /nfs/dbraw/zinc/57/40/45/455574045.db2.gz BHFYAAJNNISKHS-UHFFFAOYSA-N 1 2 348.410 3.075 20 30 EGEDLO COc1ccc([C@@H](CN(C)C)[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000284135138 455641690 /nfs/dbraw/zinc/64/16/90/455641690.db2.gz USRJKITZEPZCEC-LJQANCHMSA-N 1 2 327.403 3.098 20 30 EGEDLO C=CC[C@H]1[N@H+](Cc2noc(CCCC(=O)OC)n2)CCCC1(C)C ZINC000277751353 455655013 /nfs/dbraw/zinc/65/50/13/455655013.db2.gz LPVITYMUNIPJRI-CQSZACIVSA-N 1 2 335.448 3.132 20 30 EGEDLO C=CC[C@H]1[N@@H+](Cc2noc(CCCC(=O)OC)n2)CCCC1(C)C ZINC000277751353 455655016 /nfs/dbraw/zinc/65/50/16/455655016.db2.gz LPVITYMUNIPJRI-CQSZACIVSA-N 1 2 335.448 3.132 20 30 EGEDLO CCc1[nH+]c2ccccc2n1CC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000269627145 455852075 /nfs/dbraw/zinc/85/20/75/455852075.db2.gz UFAXGDPVLSMXSJ-UHFFFAOYSA-N 1 2 344.418 3.276 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F)OCC ZINC000270042976 455863732 /nfs/dbraw/zinc/86/37/32/455863732.db2.gz OYPMRSWQKTVGBQ-SJLPKXTDSA-N 1 2 345.418 3.136 20 30 EGEDLO C=CCC[C@@H](NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000279492714 455866090 /nfs/dbraw/zinc/86/60/90/455866090.db2.gz NKFQNOVZGNZCOS-PKOBYXMFSA-N 1 2 345.487 3.056 20 30 EGEDLO C=CCOCCCC(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270059617 455868067 /nfs/dbraw/zinc/86/80/67/455868067.db2.gz GFMZVKCILMERAY-QGZVFWFLSA-N 1 2 341.455 3.319 20 30 EGEDLO CC(C)(C#N)c1ccc(C(=O)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000279789177 455873210 /nfs/dbraw/zinc/87/32/10/455873210.db2.gz CPYJRIOOIALJSR-UHFFFAOYSA-N 1 2 337.423 3.039 20 30 EGEDLO CC(C)c1nnc([C@@H]2C[N@@H+]([C@@H](C)c3ccc(C#N)cc3)CCO2)o1 ZINC000280130060 455899262 /nfs/dbraw/zinc/89/92/62/455899262.db2.gz QMNJLDJTOZJPJN-BBRMVZONSA-N 1 2 326.400 3.199 20 30 EGEDLO CC(C)c1nnc([C@@H]2C[N@H+]([C@@H](C)c3ccc(C#N)cc3)CCO2)o1 ZINC000280130060 455899264 /nfs/dbraw/zinc/89/92/64/455899264.db2.gz QMNJLDJTOZJPJN-BBRMVZONSA-N 1 2 326.400 3.199 20 30 EGEDLO CN(C)c1ccc2cc(NC(=O)COc3ccccc3C#N)ccc2[nH+]1 ZINC000195057086 455916904 /nfs/dbraw/zinc/91/69/04/455916904.db2.gz MJHGOLOIIMPAJV-UHFFFAOYSA-N 1 2 346.390 3.190 20 30 EGEDLO CC(=O)c1ccc(C#N)c(NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000272353018 455923416 /nfs/dbraw/zinc/92/34/16/455923416.db2.gz DIXVMYWQUYJVEV-OKILXGFUSA-N 1 2 329.444 3.061 20 30 EGEDLO CC(=O)c1ccc(C#N)c(NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000272353018 455923417 /nfs/dbraw/zinc/92/34/17/455923417.db2.gz DIXVMYWQUYJVEV-OKILXGFUSA-N 1 2 329.444 3.061 20 30 EGEDLO Cc1oc(C#N)cc1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000280512458 455986754 /nfs/dbraw/zinc/98/67/54/455986754.db2.gz CZYHTGWEDISCCI-NSHDSACASA-N 1 2 344.440 3.400 20 30 EGEDLO Cc1oc(C#N)cc1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000280512458 455986757 /nfs/dbraw/zinc/98/67/57/455986757.db2.gz CZYHTGWEDISCCI-NSHDSACASA-N 1 2 344.440 3.400 20 30 EGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000296618147 455990290 /nfs/dbraw/zinc/99/02/90/455990290.db2.gz GZGCCRLYMDMYOP-IBGZPJMESA-N 1 2 328.460 3.158 20 30 EGEDLO N#CCC[C@H](NC(=O)C1CC[NH+](CC(F)F)CC1)c1ccccc1 ZINC000288401655 456095006 /nfs/dbraw/zinc/09/50/06/456095006.db2.gz ZEAHRSQLJYSWQJ-INIZCTEOSA-N 1 2 335.398 3.125 20 30 EGEDLO C#C[C@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C(C)(C)C ZINC000288703689 456102728 /nfs/dbraw/zinc/10/27/28/456102728.db2.gz WWWCOXWJWINGJS-KRWDZBQOSA-N 1 2 342.487 3.156 20 30 EGEDLO CC(C)(C#N)c1ccc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)cc1 ZINC000288998410 456111494 /nfs/dbraw/zinc/11/14/94/456111494.db2.gz JNIMCMIGCOOZDU-MRXNPFEDSA-N 1 2 338.411 3.073 20 30 EGEDLO CC(C)(C#N)c1ccc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)cc1 ZINC000288998410 456111500 /nfs/dbraw/zinc/11/15/00/456111500.db2.gz JNIMCMIGCOOZDU-MRXNPFEDSA-N 1 2 338.411 3.073 20 30 EGEDLO Cn1c2cc(F)ccc2[nH+]c1CCNc1ccc(Cl)c(C#N)n1 ZINC000301598536 456157077 /nfs/dbraw/zinc/15/70/77/456157077.db2.gz UACQXEKPLMMRKD-UHFFFAOYSA-N 1 2 329.766 3.287 20 30 EGEDLO Cn1c[nH+]cc1CCC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000188970488 456185289 /nfs/dbraw/zinc/18/52/89/456185289.db2.gz PGBVGDSPKRTLLI-CQSZACIVSA-N 1 2 337.210 3.041 20 30 EGEDLO CC(=O)c1ccc(C#N)c(NC[C@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000273181608 456203483 /nfs/dbraw/zinc/20/34/83/456203483.db2.gz HGBOSROYEZNVCB-OAQYLSRUSA-N 1 2 349.434 3.246 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)C1=O ZINC000281379501 456217129 /nfs/dbraw/zinc/21/71/29/456217129.db2.gz OYJTYZDAWPBOHC-QGZVFWFLSA-N 1 2 345.830 3.214 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)C1=O ZINC000281379501 456217138 /nfs/dbraw/zinc/21/71/38/456217138.db2.gz OYJTYZDAWPBOHC-QGZVFWFLSA-N 1 2 345.830 3.214 20 30 EGEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)C1=O ZINC000333438896 456218245 /nfs/dbraw/zinc/21/82/45/456218245.db2.gz PEAPYZJDPUEDKA-CVEARBPZSA-N 1 2 344.846 3.140 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)C1=O ZINC000333438896 456218248 /nfs/dbraw/zinc/21/82/48/456218248.db2.gz PEAPYZJDPUEDKA-CVEARBPZSA-N 1 2 344.846 3.140 20 30 EGEDLO N#CCC(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000274654907 456263407 /nfs/dbraw/zinc/26/34/07/456263407.db2.gz HFXJTOUKSUFKOL-UHFFFAOYSA-N 1 2 343.427 3.112 20 30 EGEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1nc(-c2ccncc2)cs1 ZINC000352809904 456328986 /nfs/dbraw/zinc/32/89/86/456328986.db2.gz JZUBFGCOIKTUDN-SNVBAGLBSA-N 1 2 327.438 3.384 20 30 EGEDLO C#Cc1cccc(NC(=O)CN(C)c2ccc3cc(OC)ccc3[nH+]2)c1 ZINC000302680182 456373492 /nfs/dbraw/zinc/37/34/92/456373492.db2.gz RPAJZZYIEOWDOY-UHFFFAOYSA-N 1 2 345.402 3.300 20 30 EGEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000298172440 456381394 /nfs/dbraw/zinc/38/13/94/456381394.db2.gz QRXIMZQJKIGIAF-HNNXBMFYSA-N 1 2 342.418 3.066 20 30 EGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000298172440 456381401 /nfs/dbraw/zinc/38/14/01/456381401.db2.gz QRXIMZQJKIGIAF-HNNXBMFYSA-N 1 2 342.418 3.066 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)c(C#N)c1C ZINC000276123935 456394501 /nfs/dbraw/zinc/39/45/01/456394501.db2.gz BZZXFSBKIRGGPT-GFCCVEGCSA-N 1 2 343.349 3.369 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C2(C)C)c(C#N)c1C ZINC000276123935 456394509 /nfs/dbraw/zinc/39/45/09/456394509.db2.gz BZZXFSBKIRGGPT-GFCCVEGCSA-N 1 2 343.349 3.369 20 30 EGEDLO CC(C)SCCO[NH+]=C(N)c1cccc(OCc2cccnc2)c1 ZINC000282376610 456494056 /nfs/dbraw/zinc/49/40/56/456494056.db2.gz YPABVKQBIYBSMK-UHFFFAOYSA-N 1 2 345.468 3.439 20 30 EGEDLO CC(C)[N@H+](CC(=O)N1CCCCCC1)Cc1cccc(C#N)c1F ZINC000353219850 456568606 /nfs/dbraw/zinc/56/86/06/456568606.db2.gz NOQZFZWFZLNWIJ-UHFFFAOYSA-N 1 2 331.435 3.310 20 30 EGEDLO CC(C)[N@@H+](CC(=O)N1CCCCCC1)Cc1cccc(C#N)c1F ZINC000353219850 456568610 /nfs/dbraw/zinc/56/86/10/456568610.db2.gz NOQZFZWFZLNWIJ-UHFFFAOYSA-N 1 2 331.435 3.310 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000337902665 456594156 /nfs/dbraw/zinc/59/41/56/456594156.db2.gz RPAPTYWIQISNRX-UHFFFAOYSA-N 1 2 330.391 3.042 20 30 EGEDLO CC[N@@H+](Cc1ccc(F)cc1C#N)C[C@H]1COc2ccccc2O1 ZINC000343552226 456702333 /nfs/dbraw/zinc/70/23/33/456702333.db2.gz MJWCJESWXNWWOB-KRWDZBQOSA-N 1 2 326.371 3.359 20 30 EGEDLO CC[N@H+](Cc1ccc(F)cc1C#N)C[C@H]1COc2ccccc2O1 ZINC000343552226 456702340 /nfs/dbraw/zinc/70/23/40/456702340.db2.gz MJWCJESWXNWWOB-KRWDZBQOSA-N 1 2 326.371 3.359 20 30 EGEDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)N1CCC(OC2CCCC2)CC1 ZINC000328599689 456717136 /nfs/dbraw/zinc/71/71/36/456717136.db2.gz CJJXOSZFKXTTMM-OAHLLOKOSA-N 1 2 346.475 3.098 20 30 EGEDLO C=CCCCCC[N@@H+](C)Cc1noc(CNC(=O)OC(C)(C)C)n1 ZINC000283194293 456733494 /nfs/dbraw/zinc/73/34/94/456733494.db2.gz GABPIWYMMDTQKU-UHFFFAOYSA-N 1 2 338.452 3.273 20 30 EGEDLO C=CCCCCC[N@H+](C)Cc1noc(CNC(=O)OC(C)(C)C)n1 ZINC000283194293 456733501 /nfs/dbraw/zinc/73/35/01/456733501.db2.gz GABPIWYMMDTQKU-UHFFFAOYSA-N 1 2 338.452 3.273 20 30 EGEDLO CC[C@]1(C)COCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000340892774 456745119 /nfs/dbraw/zinc/74/51/19/456745119.db2.gz BXDGKDGLABHBCR-GOSISDBHSA-N 1 2 349.862 3.088 20 30 EGEDLO CC[C@]1(C)COCC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000340892774 456745126 /nfs/dbraw/zinc/74/51/26/456745126.db2.gz BXDGKDGLABHBCR-GOSISDBHSA-N 1 2 349.862 3.088 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CCSc3ccccc32)C1 ZINC000328878812 456783165 /nfs/dbraw/zinc/78/31/65/456783165.db2.gz UUSRCKPEUVXNPV-UKRRQHHQSA-N 1 2 342.468 3.361 20 30 EGEDLO C=CCC(CC=C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000343973036 456785979 /nfs/dbraw/zinc/78/59/79/456785979.db2.gz NYYXMIIXBZCMQB-UHFFFAOYSA-N 1 2 348.244 3.481 20 30 EGEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCC2C3CC4CC(C3)CC2C4)C1 ZINC000328946417 456798066 /nfs/dbraw/zinc/79/80/66/456798066.db2.gz VJJROZHBLIKZEG-WUAWYGOHSA-N 1 2 342.487 3.196 20 30 EGEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000277387612 456805108 /nfs/dbraw/zinc/80/51/08/456805108.db2.gz YPLGIYXYIDBIOC-GFCCVEGCSA-N 1 2 346.356 3.254 20 30 EGEDLO CC#CCN(C)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000341013824 456809016 /nfs/dbraw/zinc/80/90/16/456809016.db2.gz DHSZFOWALVHNFY-MRXNPFEDSA-N 1 2 349.272 3.068 20 30 EGEDLO Cc1ccc(NC(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)cc1 ZINC000329000375 456809396 /nfs/dbraw/zinc/80/93/96/456809396.db2.gz VPROLAJIKYCQNE-INIZCTEOSA-N 1 2 328.416 3.222 20 30 EGEDLO N#Cc1ccc(CN(C(=O)Nc2ccn3cc[nH+]c3c2)C2CC2)cc1 ZINC000353655591 456833982 /nfs/dbraw/zinc/83/39/82/456833982.db2.gz HUKUOYRBXAPHRC-UHFFFAOYSA-N 1 2 331.379 3.402 20 30 EGEDLO COc1nc2ccc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)cc2s1 ZINC000329116006 456837360 /nfs/dbraw/zinc/83/73/60/456837360.db2.gz TUPQNOVVOGHVBQ-SNVBAGLBSA-N 1 2 328.397 3.352 20 30 EGEDLO Cc1cnn(CC2CC[NH+]([C@@H](C)C(=O)Nc3nccs3)CC2)c1 ZINC000329149609 456844354 /nfs/dbraw/zinc/84/43/54/456844354.db2.gz QUFJEVYGSUPBTO-ZDUSSCGKSA-N 1 2 333.461 3.037 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CCCC(C)(C)C1)C1CCOCC1 ZINC000329196528 456852405 /nfs/dbraw/zinc/85/24/05/456852405.db2.gz TUIYXQSUKVZJFY-HZPDHXFCSA-N 1 2 348.491 3.360 20 30 EGEDLO O=C(C[N@@H+]1CCC[C@@H]1c1cccnc1)Nc1nc2c(s1)CCC2 ZINC000329242570 456860284 /nfs/dbraw/zinc/86/02/84/456860284.db2.gz SKAGDKIVHORCQV-CQSZACIVSA-N 1 2 328.441 3.452 20 30 EGEDLO O=C(C[N@H+]1CCC[C@@H]1c1cccnc1)Nc1nc2c(s1)CCC2 ZINC000329242570 456860291 /nfs/dbraw/zinc/86/02/91/456860291.db2.gz SKAGDKIVHORCQV-CQSZACIVSA-N 1 2 328.441 3.452 20 30 EGEDLO Cc1ccoc1C[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000292126575 456862517 /nfs/dbraw/zinc/86/25/17/456862517.db2.gz IBUDDLOZNNXLED-UHFFFAOYSA-N 1 2 329.425 3.274 20 30 EGEDLO Cc1ccoc1C[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000292126575 456862521 /nfs/dbraw/zinc/86/25/21/456862521.db2.gz IBUDDLOZNNXLED-UHFFFAOYSA-N 1 2 329.425 3.274 20 30 EGEDLO COCC[C@](C)(C#N)NC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000344937978 456871401 /nfs/dbraw/zinc/87/14/01/456871401.db2.gz HZYYAEUKEJFPEA-LJQANCHMSA-N 1 2 339.395 3.231 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CC2(C1)CCCCC2)C1CCOCC1 ZINC000329321564 456872243 /nfs/dbraw/zinc/87/22/43/456872243.db2.gz JFKFULOGRDJUHH-INIZCTEOSA-N 1 2 346.475 3.068 20 30 EGEDLO C[C@@H](NC(=O)C1CCCCC1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329337331 456874355 /nfs/dbraw/zinc/87/43/55/456874355.db2.gz MLKFDSPHSIESFO-CYBMUJFWSA-N 1 2 332.448 3.041 20 30 EGEDLO C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329582161 456911672 /nfs/dbraw/zinc/91/16/72/456911672.db2.gz AHPGVGLVWSMPRK-WOSRLPQWSA-N 1 2 326.400 3.025 20 30 EGEDLO CC(=O)N[C@H](c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1)C1CCCC1 ZINC000329612048 456915911 /nfs/dbraw/zinc/91/59/11/456915911.db2.gz RMKNAVVDNUERON-XHSDSOJGSA-N 1 2 348.447 3.203 20 30 EGEDLO CC(=O)N[C@H](c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1)C1CCCC1 ZINC000329612048 456915915 /nfs/dbraw/zinc/91/59/15/456915915.db2.gz RMKNAVVDNUERON-XHSDSOJGSA-N 1 2 348.447 3.203 20 30 EGEDLO O=C(C[N@@H+]1CCOCC2(CCC2)C1)Nc1nc2c(s1)CCCC2 ZINC000329773919 456939125 /nfs/dbraw/zinc/93/91/25/456939125.db2.gz IHPZVXVRVMQOTP-UHFFFAOYSA-N 1 2 335.473 3.112 20 30 EGEDLO O=C(C[N@H+]1CCOCC2(CCC2)C1)Nc1nc2c(s1)CCCC2 ZINC000329773919 456939129 /nfs/dbraw/zinc/93/91/29/456939129.db2.gz IHPZVXVRVMQOTP-UHFFFAOYSA-N 1 2 335.473 3.112 20 30 EGEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@H]1CCCc2sccc21 ZINC000329840511 456949708 /nfs/dbraw/zinc/94/97/08/456949708.db2.gz OFCHOJRARQULGZ-JSGCOSHPSA-N 1 2 330.457 3.403 20 30 EGEDLO CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)cc1 ZINC000329908072 456959263 /nfs/dbraw/zinc/95/92/63/456959263.db2.gz LLMKHPXUUUAZEG-TWOQFEAHSA-N 1 2 346.471 3.146 20 30 EGEDLO CCc1ccc([C@H](C)NC(=O)C[N@H+]2CCO[C@]3(CCO[C@H]3C)C2)cc1 ZINC000329908072 456959268 /nfs/dbraw/zinc/95/92/68/456959268.db2.gz LLMKHPXUUUAZEG-TWOQFEAHSA-N 1 2 346.471 3.146 20 30 EGEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)C2CCCCCC2)cn1 ZINC000329959558 456967594 /nfs/dbraw/zinc/96/75/94/456967594.db2.gz RDVGJNNWICYGDY-IRXDYDNUSA-N 1 2 336.455 3.259 20 30 EGEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)C2CCCCCC2)cn1 ZINC000329959558 456967598 /nfs/dbraw/zinc/96/75/98/456967598.db2.gz RDVGJNNWICYGDY-IRXDYDNUSA-N 1 2 336.455 3.259 20 30 EGEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCOC2(C1)CCCCCC2 ZINC000330020457 456975452 /nfs/dbraw/zinc/97/54/52/456975452.db2.gz AGEQCTNXHKWQJN-UHFFFAOYSA-N 1 2 346.475 3.059 20 30 EGEDLO C=C(CNC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)c1ccccc1 ZINC000345746898 456990728 /nfs/dbraw/zinc/99/07/28/456990728.db2.gz KHFYMARNLGNDSX-UHFFFAOYSA-N 1 2 341.361 3.453 20 30 EGEDLO CCc1ccc([C@H](C#N)NC(=O)Cn2c(C)[nH+]c3ccccc32)cc1 ZINC000345753291 456991639 /nfs/dbraw/zinc/99/16/39/456991639.db2.gz QJQFHYSUDITUFR-SFHVURJKSA-N 1 2 332.407 3.288 20 30 EGEDLO Cc1cc2cc[nH]c2cc1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000330229171 457008105 /nfs/dbraw/zinc/00/81/05/457008105.db2.gz CVTOVZDCDLMBMN-UHFFFAOYSA-N 1 2 349.438 3.235 20 30 EGEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000356473466 457008250 /nfs/dbraw/zinc/00/82/50/457008250.db2.gz KDAVHEJFWBVZCB-NEPJUHHUSA-N 1 2 325.359 3.097 20 30 EGEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000356473466 457008257 /nfs/dbraw/zinc/00/82/57/457008257.db2.gz KDAVHEJFWBVZCB-NEPJUHHUSA-N 1 2 325.359 3.097 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000330266964 457017062 /nfs/dbraw/zinc/01/70/62/457017062.db2.gz HWVMJGBKJNEDSV-IKGGRYGDSA-N 1 2 346.475 3.302 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCc1scnc1C ZINC000330282132 457021021 /nfs/dbraw/zinc/02/10/21/457021021.db2.gz VDUSHCAUCKPWGI-ZDUSSCGKSA-N 1 2 333.461 3.309 20 30 EGEDLO CCC1CCC(CNC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)CC1 ZINC000330319763 457026618 /nfs/dbraw/zinc/02/66/18/457026618.db2.gz DMKSMOKZACICLU-IOTAOYMUSA-N 1 2 348.491 3.360 20 30 EGEDLO C#CCN(Cc1c[nH+]c[nH]1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000362654669 457028229 /nfs/dbraw/zinc/02/82/29/457028229.db2.gz MHGFPSINVONHGQ-OAHLLOKOSA-N 1 2 346.228 3.131 20 30 EGEDLO C#CCN(Cc1c[nH]c[nH+]1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000362654669 457028234 /nfs/dbraw/zinc/02/82/34/457028234.db2.gz MHGFPSINVONHGQ-OAHLLOKOSA-N 1 2 346.228 3.131 20 30 EGEDLO Cn1c(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)nc2cc(Cl)ccc21 ZINC000330333955 457029458 /nfs/dbraw/zinc/02/94/58/457029458.db2.gz YMNZWINPDTVXMU-LLVKDONJSA-N 1 2 343.818 3.142 20 30 EGEDLO CCN1CCN(C(=O)Nc2ccc(C)cc2Cl)C[C@H]1c1[nH]cc[nH+]1 ZINC000330348146 457032649 /nfs/dbraw/zinc/03/26/49/457032649.db2.gz IKYINPQLRQQLLP-HNNXBMFYSA-N 1 2 347.850 3.296 20 30 EGEDLO Cc1c(F)cccc1NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330356416 457034618 /nfs/dbraw/zinc/03/46/18/457034618.db2.gz ROGMICKBEFWYSW-MLGOLLRUSA-N 1 2 332.379 3.114 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000341991687 457047118 /nfs/dbraw/zinc/04/71/18/457047118.db2.gz ONIUFYXRNHGUGU-UHFFFAOYSA-N 1 2 346.818 3.142 20 30 EGEDLO C[C@H]1CCC[C@@H]1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000346506183 457047664 /nfs/dbraw/zinc/04/76/64/457047664.db2.gz QZJKRLGEYJXCIT-QFBILLFUSA-N 1 2 325.456 3.029 20 30 EGEDLO Cc1nc(C(C)(C)C)sc1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000330506583 457050506 /nfs/dbraw/zinc/05/05/06/457050506.db2.gz ABWUOBHZFCXGAN-UHFFFAOYSA-N 1 2 339.505 3.164 20 30 EGEDLO Cc1nc(C(C)(C)C)sc1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000330506583 457050508 /nfs/dbraw/zinc/05/05/08/457050508.db2.gz ABWUOBHZFCXGAN-UHFFFAOYSA-N 1 2 339.505 3.164 20 30 EGEDLO COCC1(C#N)CC[NH+]([C@H](C)c2nc(-c3ccccc3C)no2)CC1 ZINC000342004341 457054957 /nfs/dbraw/zinc/05/49/57/457054957.db2.gz YDEPWRLZZOFZMW-OAHLLOKOSA-N 1 2 340.427 3.358 20 30 EGEDLO C=C1CC[NH+]([C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)CC1 ZINC000342019578 457062221 /nfs/dbraw/zinc/06/22/21/457062221.db2.gz YXJLYNQHNFTOMO-CQSZACIVSA-N 1 2 329.469 3.295 20 30 EGEDLO N#CCC[C@H](NC(=O)NCc1cn2ccccc2[nH+]1)c1ccccc1 ZINC000359284850 457071510 /nfs/dbraw/zinc/07/15/10/457071510.db2.gz LZXFCGSWTBKKTD-KRWDZBQOSA-N 1 2 333.395 3.179 20 30 EGEDLO CC(C)(C#N)c1ccc(NC(=O)NCc2cn3ccccc3[nH+]2)cc1 ZINC000359340611 457074334 /nfs/dbraw/zinc/07/43/34/457074334.db2.gz HLPZRRNGYLETOM-UHFFFAOYSA-N 1 2 333.395 3.457 20 30 EGEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cccc(SCC#N)c3)n2)C1 ZINC000349845426 457075566 /nfs/dbraw/zinc/07/55/66/457075566.db2.gz BIRWLGCNHFBAMK-HNNXBMFYSA-N 1 2 344.440 3.134 20 30 EGEDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cccc(SCC#N)c3)n2)C1 ZINC000349845426 457075570 /nfs/dbraw/zinc/07/55/70/457075570.db2.gz BIRWLGCNHFBAMK-HNNXBMFYSA-N 1 2 344.440 3.134 20 30 EGEDLO Cc1cc(NC(=O)NC[C@H](O)C(C)C)c[nH+]c1N1CCCC[C@@H]1C ZINC000330770092 457082917 /nfs/dbraw/zinc/08/29/17/457082917.db2.gz AUQYOHPGGQWCEJ-HOCLYGCPSA-N 1 2 334.464 3.112 20 30 EGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H]2CCCCS2)c1C ZINC000330807724 457088848 /nfs/dbraw/zinc/08/88/48/457088848.db2.gz JHNHJMYYCMMTPM-CQSZACIVSA-N 1 2 337.489 3.339 20 30 EGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)CCc2ccc(C#N)cc2)c1C ZINC000346695910 457116584 /nfs/dbraw/zinc/11/65/84/457116584.db2.gz ISOWSFONBKLXMH-UHFFFAOYSA-N 1 2 337.423 3.170 20 30 EGEDLO COc1ccc(C#N)cc1C[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000339444033 457122542 /nfs/dbraw/zinc/12/25/42/457122542.db2.gz BANHTVHBNNVXSW-INIZCTEOSA-N 1 2 342.361 3.499 20 30 EGEDLO COc1ccc(C#N)cc1C[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000339444033 457122548 /nfs/dbraw/zinc/12/25/48/457122548.db2.gz BANHTVHBNNVXSW-INIZCTEOSA-N 1 2 342.361 3.499 20 30 EGEDLO CCc1cc(NCCc2cccc(C#N)c2)nc(-c2ccncc2)[nH+]1 ZINC000359929137 457154087 /nfs/dbraw/zinc/15/40/87/457154087.db2.gz DNKMBAFWDDOUPH-UHFFFAOYSA-N 1 2 329.407 3.049 20 30 EGEDLO COc1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)c(Br)c1OC ZINC000331323212 457166991 /nfs/dbraw/zinc/16/69/91/457166991.db2.gz FPXQTPNUHABIFN-JQWIXIFHSA-N 1 2 339.233 3.248 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000351517115 457302016 /nfs/dbraw/zinc/30/20/16/457302016.db2.gz MBNVEXNXNDFRHW-OAQYLSRUSA-N 1 2 342.483 3.381 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000351517115 457302020 /nfs/dbraw/zinc/30/20/20/457302020.db2.gz MBNVEXNXNDFRHW-OAQYLSRUSA-N 1 2 342.483 3.381 20 30 EGEDLO N#Cc1ccccc1-c1ccccc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000378106078 457374855 /nfs/dbraw/zinc/37/48/55/457374855.db2.gz GFMIHNRFHWYAOP-UHFFFAOYSA-N 1 2 328.375 3.078 20 30 EGEDLO O=C(c1ccc(O)cc1)C1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000378255299 457384517 /nfs/dbraw/zinc/38/45/17/457384517.db2.gz WEHKEUUUIZROEM-UHFFFAOYSA-N 1 2 337.394 3.478 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC(F)(C#N)CC1 ZINC000352484910 457404973 /nfs/dbraw/zinc/40/49/73/457404973.db2.gz VFYRKNMNHSGIDP-NSHDSACASA-N 1 2 343.324 3.360 20 30 EGEDLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1)c1cc2ccccc2o1 ZINC000352491124 457410442 /nfs/dbraw/zinc/41/04/42/457410442.db2.gz NTODWYFICHAMND-ZIAGYGMSSA-N 1 2 343.402 3.326 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000357310467 457438669 /nfs/dbraw/zinc/43/86/69/457438669.db2.gz SEWQGLFSXVEWKV-UHFFFAOYSA-N 1 2 344.418 3.412 20 30 EGEDLO C=CCC(C)(C)CNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000352527388 457441846 /nfs/dbraw/zinc/44/18/46/457441846.db2.gz ZTOBJIUSIFDBHC-UHFFFAOYSA-N 1 2 338.455 3.151 20 30 EGEDLO CCOc1cc(CNc2cc(C)[nH+]cc2C#N)ccc1OC(F)F ZINC000425211542 457462067 /nfs/dbraw/zinc/46/20/67/457462067.db2.gz XITNBLCMHIZIOP-UHFFFAOYSA-N 1 2 333.338 3.296 20 30 EGEDLO C=CCCC[C@H](C)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000342793198 457532463 /nfs/dbraw/zinc/53/24/63/457532463.db2.gz YUFYMFSDDAZKDY-INIZCTEOSA-N 1 2 326.444 3.475 20 30 EGEDLO N#Cc1ccc(N2CCC(CCCn3cc[nH+]c3)CC2)cc1[N+](=O)[O-] ZINC000357455209 457539290 /nfs/dbraw/zinc/53/92/90/457539290.db2.gz LXAFFNFYYHGTAM-UHFFFAOYSA-N 1 2 339.399 3.360 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)Cc1csc(-c2ncccn2)n1 ZINC000352715783 457552827 /nfs/dbraw/zinc/55/28/27/457552827.db2.gz BHVPHKQXFJZRQX-UHFFFAOYSA-N 1 2 326.425 3.424 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)Cc1csc(-c2ncccn2)n1 ZINC000352715783 457552834 /nfs/dbraw/zinc/55/28/34/457552834.db2.gz BHVPHKQXFJZRQX-UHFFFAOYSA-N 1 2 326.425 3.424 20 30 EGEDLO C=CCC[C@@H](NC(=O)NCC[N@@H+]1CCO[C@H](CC)C1)c1ccccc1 ZINC000425934188 457654567 /nfs/dbraw/zinc/65/45/67/457654567.db2.gz ZSWVKVHTSRJWIY-RTBURBONSA-N 1 2 345.487 3.104 20 30 EGEDLO C=CCC[C@@H](NC(=O)NCC[N@H+]1CCO[C@H](CC)C1)c1ccccc1 ZINC000425934188 457654572 /nfs/dbraw/zinc/65/45/72/457654572.db2.gz ZSWVKVHTSRJWIY-RTBURBONSA-N 1 2 345.487 3.104 20 30 EGEDLO CCc1nn(C)c(Cl)c1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000370534822 457668324 /nfs/dbraw/zinc/66/83/24/457668324.db2.gz VQJBHAHBLCTWSL-UHFFFAOYSA-N 1 2 343.862 3.088 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364898302 457715045 /nfs/dbraw/zinc/71/50/45/457715045.db2.gz VOBFRNYYQBRDQP-ZIAGYGMSSA-N 1 2 340.452 3.478 20 30 EGEDLO CC(C)(C)c1ccc2c(c1)C[N@H+]([C@@H](C(N)=O)c1ccc(C#N)cc1)CC2 ZINC000358064176 457762841 /nfs/dbraw/zinc/76/28/41/457762841.db2.gz PCRSXYHRGCIZEL-HXUWFJFHSA-N 1 2 347.462 3.440 20 30 EGEDLO CC(C)(C)c1ccc2c(c1)C[N@@H+]([C@@H](C(N)=O)c1ccc(C#N)cc1)CC2 ZINC000358064176 457762849 /nfs/dbraw/zinc/76/28/49/457762849.db2.gz PCRSXYHRGCIZEL-HXUWFJFHSA-N 1 2 347.462 3.440 20 30 EGEDLO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N)c1cc2ccccc2o1 ZINC000433303243 457804658 /nfs/dbraw/zinc/80/46/58/457804658.db2.gz KKMSKAKFGPPQAY-ZIAGYGMSSA-N 1 2 327.428 3.480 20 30 EGEDLO C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N)c1cc2ccccc2o1 ZINC000433303243 457804668 /nfs/dbraw/zinc/80/46/68/457804668.db2.gz KKMSKAKFGPPQAY-ZIAGYGMSSA-N 1 2 327.428 3.480 20 30 EGEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000427007350 457935649 /nfs/dbraw/zinc/93/56/49/457935649.db2.gz HIKIYYZAWACIFZ-QGZVFWFLSA-N 1 2 332.875 3.318 20 30 EGEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000427007350 457935653 /nfs/dbraw/zinc/93/56/53/457935653.db2.gz HIKIYYZAWACIFZ-QGZVFWFLSA-N 1 2 332.875 3.318 20 30 EGEDLO CC(=O)Nc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000371462216 457942277 /nfs/dbraw/zinc/94/22/77/457942277.db2.gz BVFJUBZZNQUOJD-HXUWFJFHSA-N 1 2 335.407 3.090 20 30 EGEDLO CC(=O)Nc1ccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000371462216 457942284 /nfs/dbraw/zinc/94/22/84/457942284.db2.gz BVFJUBZZNQUOJD-HXUWFJFHSA-N 1 2 335.407 3.090 20 30 EGEDLO C=C(CC)C[N@@H+]1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000361936291 457966140 /nfs/dbraw/zinc/96/61/40/457966140.db2.gz KIVVEWDGMMPORG-CQSZACIVSA-N 1 2 328.334 3.024 20 30 EGEDLO C=C(CC)C[N@H+]1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000361936291 457966149 /nfs/dbraw/zinc/96/61/49/457966149.db2.gz KIVVEWDGMMPORG-CQSZACIVSA-N 1 2 328.334 3.024 20 30 EGEDLO C=C[C@@H](C)NC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000362380705 458134991 /nfs/dbraw/zinc/13/49/91/458134991.db2.gz REZBLYBSZFIFFD-DOMZBBRYSA-N 1 2 339.842 3.317 20 30 EGEDLO C=C[C@@H](C)NC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000362380705 458134998 /nfs/dbraw/zinc/13/49/98/458134998.db2.gz REZBLYBSZFIFFD-DOMZBBRYSA-N 1 2 339.842 3.317 20 30 EGEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1nc(C(F)(F)F)ccc1C#N ZINC000369312629 458168594 /nfs/dbraw/zinc/16/85/94/458168594.db2.gz QRUFACNNNULWRS-UHFFFAOYSA-N 1 2 335.333 3.141 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000372166200 458217266 /nfs/dbraw/zinc/21/72/66/458217266.db2.gz DQHIRCSKCKZIQZ-LJQANCHMSA-N 1 2 349.425 3.199 20 30 EGEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC(C)(C)O1 ZINC000446759354 458225552 /nfs/dbraw/zinc/22/55/52/458225552.db2.gz BMBPVWSQULZXMP-CYBMUJFWSA-N 1 2 327.346 3.436 20 30 EGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC(C)(C)O1 ZINC000446759354 458225557 /nfs/dbraw/zinc/22/55/57/458225557.db2.gz BMBPVWSQULZXMP-CYBMUJFWSA-N 1 2 327.346 3.436 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000372520407 458306083 /nfs/dbraw/zinc/30/60/83/458306083.db2.gz GKBWLDFKDUNNNS-IAGOWNOFSA-N 1 2 343.471 3.264 20 30 EGEDLO COc1ccc(OCc2ccccn2)c(C[NH2+]CC2(C#N)CCC2)c1 ZINC000418139593 458371064 /nfs/dbraw/zinc/37/10/64/458371064.db2.gz HREHCUKJXAUWFN-UHFFFAOYSA-N 1 2 337.423 3.453 20 30 EGEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@H](CC)O1 ZINC000420959241 458405429 /nfs/dbraw/zinc/40/54/29/458405429.db2.gz QCSSAXAKJQXAAF-YTQUADARSA-N 1 2 343.471 3.211 20 30 EGEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@H](CC)O1 ZINC000420959241 458405433 /nfs/dbraw/zinc/40/54/33/458405433.db2.gz QCSSAXAKJQXAAF-YTQUADARSA-N 1 2 343.471 3.211 20 30 EGEDLO Cc1cc(CNC(=O)Nc2cc(C)c(N(C)C)cc2C#N)cc(C)[nH+]1 ZINC000421114147 458408436 /nfs/dbraw/zinc/40/84/36/458408436.db2.gz SVLRREVECKJTDJ-UHFFFAOYSA-N 1 2 337.427 3.266 20 30 EGEDLO C=CCC[C@@H]([NH2+]Cc1ccc(C)cc1-c1ccnn1C)C(=O)OCC ZINC000449660777 458428624 /nfs/dbraw/zinc/42/86/24/458428624.db2.gz YMMZCUGCJKHKOK-GOSISDBHSA-N 1 2 341.455 3.383 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000459668745 458441150 /nfs/dbraw/zinc/44/11/50/458441150.db2.gz FNROYRQIOKYKRI-UGSOOPFHSA-N 1 2 333.863 3.141 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCc2cccc(Cl)c2C1 ZINC000459668745 458441153 /nfs/dbraw/zinc/44/11/53/458441153.db2.gz FNROYRQIOKYKRI-UGSOOPFHSA-N 1 2 333.863 3.141 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000437842713 458501594 /nfs/dbraw/zinc/50/15/94/458501594.db2.gz PVMIDNCQDZYNGS-JXFKEZNVSA-N 1 2 348.462 3.260 20 30 EGEDLO N#CCCCNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430907502 458502838 /nfs/dbraw/zinc/50/28/38/458502838.db2.gz DPJUTDPXBAXVLN-UHFFFAOYSA-N 1 2 345.834 3.052 20 30 EGEDLO C=C(C)COc1cc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)ccc1OC ZINC000377694320 458511496 /nfs/dbraw/zinc/51/14/96/458511496.db2.gz ILHPUBQOBZTQSL-MSOLQXFVSA-N 1 2 347.455 3.030 20 30 EGEDLO C=C(C)COc1cc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)ccc1OC ZINC000377694320 458511500 /nfs/dbraw/zinc/51/15/00/458511500.db2.gz ILHPUBQOBZTQSL-MSOLQXFVSA-N 1 2 347.455 3.030 20 30 EGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000377805871 458535619 /nfs/dbraw/zinc/53/56/19/458535619.db2.gz YXBZTGGJRVIWKP-INIZCTEOSA-N 1 2 325.412 3.053 20 30 EGEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)nn1 ZINC000424291772 458606610 /nfs/dbraw/zinc/60/66/10/458606610.db2.gz FKZRKNODKBRCHU-JTQLQIEISA-N 1 2 339.212 3.217 20 30 EGEDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)s1 ZINC000424336661 458619103 /nfs/dbraw/zinc/61/91/03/458619103.db2.gz YDCQFKDBVZBLJY-NXEZZACHSA-N 1 2 333.388 3.352 20 30 EGEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000503213598 458697569 /nfs/dbraw/zinc/69/75/69/458697569.db2.gz BZAIAZXQCRXVPC-QGZVFWFLSA-N 1 2 338.426 3.329 20 30 EGEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000503213598 458697575 /nfs/dbraw/zinc/69/75/75/458697575.db2.gz BZAIAZXQCRXVPC-QGZVFWFLSA-N 1 2 338.426 3.329 20 30 EGEDLO Cc1[nH+]c2cc(NC(=O)C3(C#N)CCCCC3)ccc2n1[C@H](C)CO ZINC000456699160 458754672 /nfs/dbraw/zinc/75/46/72/458754672.db2.gz DVEGKXVGSZVJJA-CYBMUJFWSA-N 1 2 340.427 3.311 20 30 EGEDLO C=CCN(CCc1ccccc1)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000508571774 458760965 /nfs/dbraw/zinc/76/09/65/458760965.db2.gz VJMIFYIAZTXIHC-UYAOXDASSA-N 1 2 349.478 3.411 20 30 EGEDLO Cc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000464827564 458779909 /nfs/dbraw/zinc/77/99/09/458779909.db2.gz KKYGLMDWUQIEQK-NHCUHLMSSA-N 1 2 347.462 3.383 20 30 EGEDLO Cc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000464827564 458779919 /nfs/dbraw/zinc/77/99/19/458779919.db2.gz KKYGLMDWUQIEQK-NHCUHLMSSA-N 1 2 347.462 3.383 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccc(CC)cc1)Cc1ccc(CO)o1 ZINC000512151776 458782185 /nfs/dbraw/zinc/78/21/85/458782185.db2.gz GWYPRQGGBNMWQH-UHFFFAOYSA-N 1 2 342.439 3.351 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)Nc1ccc(CC)cc1)Cc1ccc(CO)o1 ZINC000512151776 458782190 /nfs/dbraw/zinc/78/21/90/458782190.db2.gz GWYPRQGGBNMWQH-UHFFFAOYSA-N 1 2 342.439 3.351 20 30 EGEDLO C=C(C)COc1cc(C[N@H+](C)CC(=O)OC(C)(C)C)ccc1OC ZINC000512648372 458787668 /nfs/dbraw/zinc/78/76/68/458787668.db2.gz MKQUBZNDNDHHIU-UHFFFAOYSA-N 1 2 335.444 3.424 20 30 EGEDLO C=C(C)COc1cc(C[N@@H+](C)CC(=O)OC(C)(C)C)ccc1OC ZINC000512648372 458787680 /nfs/dbraw/zinc/78/76/80/458787680.db2.gz MKQUBZNDNDHHIU-UHFFFAOYSA-N 1 2 335.444 3.424 20 30 EGEDLO C=CC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccccc1F ZINC000515770073 458813539 /nfs/dbraw/zinc/81/35/39/458813539.db2.gz PQHPTCONFXUOMY-UHFFFAOYSA-N 1 2 343.446 3.499 20 30 EGEDLO C=CC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccccc1F ZINC000515770073 458813543 /nfs/dbraw/zinc/81/35/43/458813543.db2.gz PQHPTCONFXUOMY-UHFFFAOYSA-N 1 2 343.446 3.499 20 30 EGEDLO C=C(C)Cn1c(C)nnc1N1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000549258281 458879474 /nfs/dbraw/zinc/87/94/74/458879474.db2.gz KDXNQTBYMHIGET-UHFFFAOYSA-N 1 2 336.443 3.423 20 30 EGEDLO Cc1ncc2c(n1)CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C2 ZINC000531177348 458883963 /nfs/dbraw/zinc/88/39/63/458883963.db2.gz HLCMVCPPURMIQC-UHFFFAOYSA-N 1 2 331.341 3.214 20 30 EGEDLO Cc1ncc2c(n1)CC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C2 ZINC000531177348 458883967 /nfs/dbraw/zinc/88/39/67/458883967.db2.gz HLCMVCPPURMIQC-UHFFFAOYSA-N 1 2 331.341 3.214 20 30 EGEDLO CC#CC[N@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1 ZINC000550490801 458886223 /nfs/dbraw/zinc/88/62/23/458886223.db2.gz BUTVRSNQJXIWRU-IBGZPJMESA-N 1 2 326.465 3.217 20 30 EGEDLO CC#CC[N@@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1 ZINC000550490801 458886227 /nfs/dbraw/zinc/88/62/27/458886227.db2.gz BUTVRSNQJXIWRU-IBGZPJMESA-N 1 2 326.465 3.217 20 30 EGEDLO CC#CC[N@H+](C)CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000550491232 458886646 /nfs/dbraw/zinc/88/66/46/458886646.db2.gz JOHLLEPSANYNHJ-OAQYLSRUSA-N 1 2 338.426 3.329 20 30 EGEDLO CC#CC[N@@H+](C)CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000550491232 458886652 /nfs/dbraw/zinc/88/66/52/458886652.db2.gz JOHLLEPSANYNHJ-OAQYLSRUSA-N 1 2 338.426 3.329 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000441452519 458947128 /nfs/dbraw/zinc/94/71/28/458947128.db2.gz WMASSEDFIWUKQY-PKOBYXMFSA-N 1 2 330.472 3.181 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000441452519 458947135 /nfs/dbraw/zinc/94/71/35/458947135.db2.gz WMASSEDFIWUKQY-PKOBYXMFSA-N 1 2 330.472 3.181 20 30 EGEDLO N#Cc1csc(C[N@H+]2CCCC[C@H]2COC(=O)NC2CCCC2)n1 ZINC000495848226 458976509 /nfs/dbraw/zinc/97/65/09/458976509.db2.gz FMUBTYUXDLCZAB-HNNXBMFYSA-N 1 2 348.472 3.038 20 30 EGEDLO N#Cc1csc(C[N@@H+]2CCCC[C@H]2COC(=O)NC2CCCC2)n1 ZINC000495848226 458976514 /nfs/dbraw/zinc/97/65/14/458976514.db2.gz FMUBTYUXDLCZAB-HNNXBMFYSA-N 1 2 348.472 3.038 20 30 EGEDLO CC(C)(C)OC(=O)NCc1ccc[nH+]c1NCc1ccc(C#N)o1 ZINC000495915142 459003519 /nfs/dbraw/zinc/00/35/19/459003519.db2.gz OOOGSHPDDCHIFK-UHFFFAOYSA-N 1 2 328.372 3.183 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2cccc(F)c2C#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000496006716 459034419 /nfs/dbraw/zinc/03/44/19/459034419.db2.gz NMVCDEPQIGFWIH-CXAGYDPISA-N 1 2 347.434 3.432 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2C#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000496006716 459034423 /nfs/dbraw/zinc/03/44/23/459034423.db2.gz NMVCDEPQIGFWIH-CXAGYDPISA-N 1 2 347.434 3.432 20 30 EGEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000442801725 459039031 /nfs/dbraw/zinc/03/90/31/459039031.db2.gz PHQKMFYVGKOGED-UHFFFAOYSA-N 1 2 349.360 3.012 20 30 EGEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000442801725 459039035 /nfs/dbraw/zinc/03/90/35/459039035.db2.gz PHQKMFYVGKOGED-UHFFFAOYSA-N 1 2 349.360 3.012 20 30 EGEDLO Cc1cc(N2CCC(CNC(=O)OC(C)(C)C)CC2)c(C#N)c[nH+]1 ZINC000496176573 459098568 /nfs/dbraw/zinc/09/85/68/459098568.db2.gz UCSJOMQHOIQFMR-UHFFFAOYSA-N 1 2 330.432 3.003 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc2nc(-c3ccccc3)oc2c1 ZINC000579839163 459252597 /nfs/dbraw/zinc/25/25/97/459252597.db2.gz NDGKIXHILSOIRP-FQEVSTJZSA-N 1 2 348.406 3.068 20 30 EGEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cnc3ccccc3n2)CC1 ZINC000595375219 459287356 /nfs/dbraw/zinc/28/73/56/459287356.db2.gz AIFDFOWQJQIFSS-OAQYLSRUSA-N 1 2 343.434 3.012 20 30 EGEDLO C=CCOC[C@H]([NH2+][C@H](C)[C@@H](C)c1ccc(Cl)cc1)C(=O)OC ZINC000482438926 459308328 /nfs/dbraw/zinc/30/83/28/459308328.db2.gz NNUQIYCFHAAMQR-IOASZLSFSA-N 1 2 325.836 3.166 20 30 EGEDLO C=CCCC[C@H](C)NC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000538373657 459370988 /nfs/dbraw/zinc/37/09/88/459370988.db2.gz XCRACCCWTCBKEV-KRWDZBQOSA-N 1 2 345.487 3.267 20 30 EGEDLO C=CCCC[C@@H](C)NC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000538373658 459371061 /nfs/dbraw/zinc/37/10/61/459371061.db2.gz XCRACCCWTCBKEV-QGZVFWFLSA-N 1 2 345.487 3.267 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595702778 459404732 /nfs/dbraw/zinc/40/47/32/459404732.db2.gz KGVRBJWPZKOPGH-YOEHRIQHSA-N 1 2 329.419 3.304 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595702778 459404738 /nfs/dbraw/zinc/40/47/38/459404738.db2.gz KGVRBJWPZKOPGH-YOEHRIQHSA-N 1 2 329.419 3.304 20 30 EGEDLO CC(C)(C#N)[NH+]1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 ZINC000497073893 459428129 /nfs/dbraw/zinc/42/81/29/459428129.db2.gz QSKNAQUORONYJD-ROUUACIJSA-N 1 2 341.455 3.315 20 30 EGEDLO N#Cc1ccc(CC[N@H+]2CCOC[C@H]2c2cc(F)cc(F)c2)cc1 ZINC000595762029 459429741 /nfs/dbraw/zinc/42/97/41/459429741.db2.gz NZGRQYYJAGMHER-IBGZPJMESA-N 1 2 328.362 3.452 20 30 EGEDLO N#Cc1ccc(CC[N@@H+]2CCOC[C@H]2c2cc(F)cc(F)c2)cc1 ZINC000595762029 459429746 /nfs/dbraw/zinc/42/97/46/459429746.db2.gz NZGRQYYJAGMHER-IBGZPJMESA-N 1 2 328.362 3.452 20 30 EGEDLO CC[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1nnc2n1CCCCC2 ZINC000595799587 459446499 /nfs/dbraw/zinc/44/64/99/459446499.db2.gz MZCZTZYSUNIMML-OAHLLOKOSA-N 1 2 327.407 3.256 20 30 EGEDLO CC[C@@H]([NH2+]Cc1cc(C#N)ccc1OC)c1nnc2n1CCCCC2 ZINC000595801984 459447830 /nfs/dbraw/zinc/44/78/30/459447830.db2.gz XWNDQXPEZIMRQF-MRXNPFEDSA-N 1 2 339.443 3.126 20 30 EGEDLO N#Cc1c(NC(=O)C[N@@H+]2CC[C@@H]3C[C@@H]3C2)sc2c1CCCCC2 ZINC000595812307 459450059 /nfs/dbraw/zinc/45/00/59/459450059.db2.gz XXPRLYVOCSGSES-CHWSQXEVSA-N 1 2 329.469 3.169 20 30 EGEDLO N#Cc1c(NC(=O)C[N@H+]2CC[C@@H]3C[C@@H]3C2)sc2c1CCCCC2 ZINC000595812307 459450064 /nfs/dbraw/zinc/45/00/64/459450064.db2.gz XXPRLYVOCSGSES-CHWSQXEVSA-N 1 2 329.469 3.169 20 30 EGEDLO C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000569461606 459456824 /nfs/dbraw/zinc/45/68/24/459456824.db2.gz YBOPQUFNEYKRAS-MEDUHNTESA-N 1 2 342.270 3.132 20 30 EGEDLO CC(C)(C)OC(=O)NCc1ccc[nH+]c1NCc1nc(C#N)cs1 ZINC000497242252 459499734 /nfs/dbraw/zinc/49/97/34/459499734.db2.gz AAHBBFXRZDKGGW-UHFFFAOYSA-N 1 2 345.428 3.047 20 30 EGEDLO N#CC[C@@]1(O)CC[N@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC000592145328 459535857 /nfs/dbraw/zinc/53/58/57/459535857.db2.gz SWYIFQCIUXUREK-QGZVFWFLSA-N 1 2 347.871 3.238 20 30 EGEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC000592145328 459535865 /nfs/dbraw/zinc/53/58/65/459535865.db2.gz SWYIFQCIUXUREK-QGZVFWFLSA-N 1 2 347.871 3.238 20 30 EGEDLO CCOc1ccc(-c2nc(C[N@@H+]3CC[C@](O)(CC#N)C3)cs2)cc1 ZINC000592147019 459536674 /nfs/dbraw/zinc/53/66/74/459536674.db2.gz HOKJYZVXBVGNJJ-GOSISDBHSA-N 1 2 343.452 3.059 20 30 EGEDLO CCOc1ccc(-c2nc(C[N@H+]3CC[C@](O)(CC#N)C3)cs2)cc1 ZINC000592147019 459536679 /nfs/dbraw/zinc/53/66/79/459536679.db2.gz HOKJYZVXBVGNJJ-GOSISDBHSA-N 1 2 343.452 3.059 20 30 EGEDLO N#CC[C@@]1(O)CC[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000592148584 459537085 /nfs/dbraw/zinc/53/70/85/459537085.db2.gz XBXXTXDROWFWAE-MRXNPFEDSA-N 1 2 333.844 3.314 20 30 EGEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000592148584 459537090 /nfs/dbraw/zinc/53/70/90/459537090.db2.gz XBXXTXDROWFWAE-MRXNPFEDSA-N 1 2 333.844 3.314 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000488365567 459543556 /nfs/dbraw/zinc/54/35/56/459543556.db2.gz JOKINXGHCYAVJX-QGZVFWFLSA-N 1 2 338.386 3.066 20 30 EGEDLO C=CCn1c(SCc2c[nH+]cn2C)nnc1-c1ccccc1C ZINC000488886392 459555687 /nfs/dbraw/zinc/55/56/87/459555687.db2.gz UUCUMWWLSGWYBY-UHFFFAOYSA-N 1 2 325.441 3.465 20 30 EGEDLO CCc1c(C(=O)C[NH+]2CCC(CCC#N)CC2)[nH]c(C)c1C(C)=O ZINC000570713711 459559847 /nfs/dbraw/zinc/55/98/47/459559847.db2.gz VRWLUWQLYFAWFP-UHFFFAOYSA-N 1 2 329.444 3.287 20 30 EGEDLO C=CCSCCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489257377 459562160 /nfs/dbraw/zinc/56/21/60/459562160.db2.gz OLSVPBKNRPUNJL-UHFFFAOYSA-N 1 2 330.413 3.113 20 30 EGEDLO CS[C@@H]1CCN(c2cc(C)[nH+]c(N3CC[C@H](SC)C3)c2C#N)C1 ZINC000596250032 459574554 /nfs/dbraw/zinc/57/45/54/459574554.db2.gz MBZNZHKGALWEPY-KGLIPLIRSA-N 1 2 348.541 3.145 20 30 EGEDLO C#CCN(C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)C1CCCCC1 ZINC000490741137 459586346 /nfs/dbraw/zinc/58/63/46/459586346.db2.gz SVIASDDBTYJYJB-HNNXBMFYSA-N 1 2 327.472 3.433 20 30 EGEDLO C#CCN(C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)C1CCCCC1 ZINC000490741137 459586352 /nfs/dbraw/zinc/58/63/52/459586352.db2.gz SVIASDDBTYJYJB-HNNXBMFYSA-N 1 2 327.472 3.433 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000491114053 459599058 /nfs/dbraw/zinc/59/90/58/459599058.db2.gz JFKJWGDPFJSWCQ-CQSZACIVSA-N 1 2 347.434 3.434 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000491114053 459599063 /nfs/dbraw/zinc/59/90/63/459599063.db2.gz JFKJWGDPFJSWCQ-CQSZACIVSA-N 1 2 347.434 3.434 20 30 EGEDLO N#CC1(C[NH2+]Cc2cc(OC(F)F)ccc2Br)CC1 ZINC000592510291 459619982 /nfs/dbraw/zinc/61/99/82/459619982.db2.gz FOGWBKXAIYIQAE-UHFFFAOYSA-N 1 2 331.160 3.444 20 30 EGEDLO C#C[C@@H](C)N(C)C(=O)c1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000491394070 459623197 /nfs/dbraw/zinc/62/31/97/459623197.db2.gz KVGYYSCWVHIMOV-MRXNPFEDSA-N 1 2 347.418 3.315 20 30 EGEDLO C#C[C@H](CCC)NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000491703218 459656723 /nfs/dbraw/zinc/65/67/23/459656723.db2.gz SERXRQGFUCWWPS-GOSISDBHSA-N 1 2 342.487 3.131 20 30 EGEDLO CC1(C)C[N@H+](CC(=O)N(CCC#N)c2ccccc2)[C@@H]1c1cccnc1 ZINC000596593754 459688501 /nfs/dbraw/zinc/68/85/01/459688501.db2.gz RNAZDTQEWDXCFZ-HXUWFJFHSA-N 1 2 348.450 3.411 20 30 EGEDLO CC1(C)C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)[C@@H]1c1cccnc1 ZINC000596593754 459688503 /nfs/dbraw/zinc/68/85/03/459688503.db2.gz RNAZDTQEWDXCFZ-HXUWFJFHSA-N 1 2 348.450 3.411 20 30 EGEDLO CCn1cc[nH+]c1/C=C/C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000492490600 459707035 /nfs/dbraw/zinc/70/70/35/459707035.db2.gz IDEUCTSATVBKNK-MDZDMXLPSA-N 1 2 347.340 3.103 20 30 EGEDLO C=CCCSCCNC(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000596715689 459738293 /nfs/dbraw/zinc/73/82/93/459738293.db2.gz KSGCZKBAIKXWIP-MRXNPFEDSA-N 1 2 344.484 3.450 20 30 EGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000563546845 459766646 /nfs/dbraw/zinc/76/66/46/459766646.db2.gz KMQQJLBLBNGXAQ-STQMWFEESA-N 1 2 328.441 3.479 20 30 EGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000563546845 459766650 /nfs/dbraw/zinc/76/66/50/459766650.db2.gz KMQQJLBLBNGXAQ-STQMWFEESA-N 1 2 328.441 3.479 20 30 EGEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc2c(c1)C(C)(C)CC2(C)C ZINC000564867506 459777971 /nfs/dbraw/zinc/77/79/71/459777971.db2.gz GHBWXCQPNBOKPY-MRXNPFEDSA-N 1 2 329.488 3.264 20 30 EGEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc2c(c1)C(C)(C)CC2(C)C ZINC000564867506 459777975 /nfs/dbraw/zinc/77/79/75/459777975.db2.gz GHBWXCQPNBOKPY-MRXNPFEDSA-N 1 2 329.488 3.264 20 30 EGEDLO N#CC1(CC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CCCCC1 ZINC000596911413 459793932 /nfs/dbraw/zinc/79/39/32/459793932.db2.gz PCIBEWNYFIJLNH-UHFFFAOYSA-N 1 2 341.455 3.321 20 30 EGEDLO C=C(C)[C@H]([NH2+]Cc1coc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000528457993 459807452 /nfs/dbraw/zinc/80/74/52/459807452.db2.gz RFXSHQXVVYXNHC-INIZCTEOSA-N 1 2 341.379 3.368 20 30 EGEDLO COCc1csc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000596980513 459809781 /nfs/dbraw/zinc/80/97/81/459809781.db2.gz PPAURUXFGZGPHO-UHFFFAOYSA-N 1 2 341.480 3.084 20 30 EGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(C#N)(CC)CC ZINC000528702033 459812635 /nfs/dbraw/zinc/81/26/35/459812635.db2.gz NHVDQWBAECZMRI-UHFFFAOYSA-N 1 2 342.487 3.476 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000597175065 459862251 /nfs/dbraw/zinc/86/22/51/459862251.db2.gz VHBJJMKRMVVWNM-LLVKDONJSA-N 1 2 325.315 3.322 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000597175065 459862258 /nfs/dbraw/zinc/86/22/58/459862258.db2.gz VHBJJMKRMVVWNM-LLVKDONJSA-N 1 2 325.315 3.322 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000597178233 459863201 /nfs/dbraw/zinc/86/32/01/459863201.db2.gz BRITZCLALNWTKP-KGLIPLIRSA-N 1 2 340.452 3.336 20 30 EGEDLO COc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c(Br)c1O ZINC000597178060 459863507 /nfs/dbraw/zinc/86/35/07/459863507.db2.gz UZHZUKPAILOJGC-LLVKDONJSA-N 1 2 339.233 3.289 20 30 EGEDLO CC[C@@H](C#N)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000593410353 459881568 /nfs/dbraw/zinc/88/15/68/459881568.db2.gz QSBUWHDEKFXEAJ-SWLSCSKDSA-N 1 2 337.826 3.282 20 30 EGEDLO CC[C@@H](C#N)C(=O)Nc1nc2c(s1)CC[N@H+](Cc1ccccc1)C2 ZINC000593414709 459882680 /nfs/dbraw/zinc/88/26/80/459882680.db2.gz QZBFTXHPEIFLSF-AWEZNQCLSA-N 1 2 340.452 3.190 20 30 EGEDLO CC[C@@H](C#N)C(=O)Nc1nc2c(s1)CC[N@@H+](Cc1ccccc1)C2 ZINC000593414709 459882685 /nfs/dbraw/zinc/88/26/85/459882685.db2.gz QZBFTXHPEIFLSF-AWEZNQCLSA-N 1 2 340.452 3.190 20 30 EGEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](Cc1cccc(C#N)n1)C1CC1 ZINC000602473889 459956361 /nfs/dbraw/zinc/95/63/61/459956361.db2.gz LRMUGDXYLSJLHE-FQEVSTJZSA-N 1 2 349.434 3.092 20 30 EGEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](Cc1cccc(C#N)n1)C1CC1 ZINC000602473889 459956365 /nfs/dbraw/zinc/95/63/65/459956365.db2.gz LRMUGDXYLSJLHE-FQEVSTJZSA-N 1 2 349.434 3.092 20 30 EGEDLO CC(C)(C#N)C[C@@H](O)Cn1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000598703929 460000150 /nfs/dbraw/zinc/00/01/50/460000150.db2.gz KRQBYPOMZQEZQF-QGZVFWFLSA-N 1 2 348.450 3.371 20 30 EGEDLO N#Cc1ccc([C@H]([NH2+]Cc2cccc(Cl)c2Cl)C(N)=O)cc1 ZINC000609676493 460008250 /nfs/dbraw/zinc/00/82/50/460008250.db2.gz IFOKYMAKEGJXAF-HNNXBMFYSA-N 1 2 334.206 3.181 20 30 EGEDLO C=CC[N@H+](Cc1cnnn1-c1ccccc1)Cc1cccc(C#N)c1 ZINC000588956756 460010422 /nfs/dbraw/zinc/01/04/22/460010422.db2.gz RFSLHQIDEXZDRN-UHFFFAOYSA-N 1 2 329.407 3.327 20 30 EGEDLO C=CC[N@@H+](Cc1cnnn1-c1ccccc1)Cc1cccc(C#N)c1 ZINC000588956756 460010431 /nfs/dbraw/zinc/01/04/31/460010431.db2.gz RFSLHQIDEXZDRN-UHFFFAOYSA-N 1 2 329.407 3.327 20 30 EGEDLO COC(=O)[C@H]([NH2+]C[C@@H](C)CCC#N)c1ccc(Br)cc1 ZINC000602624799 460029299 /nfs/dbraw/zinc/02/92/99/460029299.db2.gz RUTZZGFUNNLZDA-SMDDNHRTSA-N 1 2 339.233 3.193 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)nc1 ZINC000593968320 460032016 /nfs/dbraw/zinc/03/20/16/460032016.db2.gz BMOKUCPQELZCOG-KRWDZBQOSA-N 1 2 345.349 3.128 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)nc1 ZINC000593968320 460032018 /nfs/dbraw/zinc/03/20/18/460032018.db2.gz BMOKUCPQELZCOG-KRWDZBQOSA-N 1 2 345.349 3.128 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](OC3CCC3)C2)cc1Cl ZINC000594026752 460062468 /nfs/dbraw/zinc/06/24/68/460062468.db2.gz OFZORCQEWVBSAM-MRXNPFEDSA-N 1 2 347.846 3.184 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](OC3CCC3)C2)cc1Cl ZINC000594026752 460062471 /nfs/dbraw/zinc/06/24/71/460062471.db2.gz OFZORCQEWVBSAM-MRXNPFEDSA-N 1 2 347.846 3.184 20 30 EGEDLO CCn1c[nH+]cc1[C@H]1CCCCN1C(=O)Cc1c(F)cccc1C#N ZINC000589532160 460100061 /nfs/dbraw/zinc/10/00/61/460100061.db2.gz LQXOUHATOGQUPT-QGZVFWFLSA-N 1 2 340.402 3.210 20 30 EGEDLO C[N@H+](CC(=O)Nc1ccccc1Br)CC1(CC#N)CC1 ZINC000602765670 460113297 /nfs/dbraw/zinc/11/32/97/460113297.db2.gz FHXLWGFTXCBTOD-UHFFFAOYSA-N 1 2 336.233 3.013 20 30 EGEDLO C[N@@H+](CC(=O)Nc1ccccc1Br)CC1(CC#N)CC1 ZINC000602765670 460113301 /nfs/dbraw/zinc/11/33/01/460113301.db2.gz FHXLWGFTXCBTOD-UHFFFAOYSA-N 1 2 336.233 3.013 20 30 EGEDLO Cc1[nH+]cn(-c2ccc(NC(=O)c3cc(O)cc(C#N)c3)cc2)c1C ZINC000589730224 460133653 /nfs/dbraw/zinc/13/36/53/460133653.db2.gz RJRSRJPPWSZPSJ-UHFFFAOYSA-N 1 2 332.363 3.319 20 30 EGEDLO CN(C(=O)C[N@@H+]1CC[C@@H]1c1cccc(F)c1)C1(C#N)CCCCC1 ZINC000610505519 460168593 /nfs/dbraw/zinc/16/85/93/460168593.db2.gz NENDZMDBQIFXJN-QGZVFWFLSA-N 1 2 329.419 3.257 20 30 EGEDLO CN(C(=O)C[N@H+]1CC[C@@H]1c1cccc(F)c1)C1(C#N)CCCCC1 ZINC000610505519 460168599 /nfs/dbraw/zinc/16/85/99/460168599.db2.gz NENDZMDBQIFXJN-QGZVFWFLSA-N 1 2 329.419 3.257 20 30 EGEDLO N#Cc1ccc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000610877066 460254377 /nfs/dbraw/zinc/25/43/77/460254377.db2.gz WLKSVMTUAQIFRT-ZDUSSCGKSA-N 1 2 329.791 3.277 20 30 EGEDLO C[C@H]1C[N@H+](Cc2cc(F)ccc2C#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000599591194 460282242 /nfs/dbraw/zinc/28/22/42/460282242.db2.gz SVSUHDFBNXWFCK-SUMWQHHRSA-N 1 2 332.419 3.497 20 30 EGEDLO C[C@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000599591194 460282247 /nfs/dbraw/zinc/28/22/47/460282247.db2.gz SVSUHDFBNXWFCK-SUMWQHHRSA-N 1 2 332.419 3.497 20 30 EGEDLO N#CCCN1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000611173677 460301104 /nfs/dbraw/zinc/30/11/04/460301104.db2.gz GEVCZWPAVRCPPL-UHFFFAOYSA-N 1 2 330.819 3.026 20 30 EGEDLO N#Cc1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)c(Br)c1 ZINC000611181835 460302867 /nfs/dbraw/zinc/30/28/67/460302867.db2.gz WOXOCHBLJXFVMZ-CYBMUJFWSA-N 1 2 331.217 3.359 20 30 EGEDLO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCc3c[nH]nc3C2)c1 ZINC000611273668 460325698 /nfs/dbraw/zinc/32/56/98/460325698.db2.gz IWYMIVLBBZNWQC-UHFFFAOYSA-N 1 2 344.418 3.419 20 30 EGEDLO N#Cc1ccccc1COc1cccc(C[N@H+]2CCc3c[nH]nc3C2)c1 ZINC000611273668 460325701 /nfs/dbraw/zinc/32/57/01/460325701.db2.gz IWYMIVLBBZNWQC-UHFFFAOYSA-N 1 2 344.418 3.419 20 30 EGEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000604122630 460381489 /nfs/dbraw/zinc/38/14/89/460381489.db2.gz XAANVERWBFZKRM-CYBMUJFWSA-N 1 2 340.402 3.446 20 30 EGEDLO CC1(C#N)CC[NH+](CC(=O)NCC2(c3ccccc3)CCCC2)CC1 ZINC000611553593 460397456 /nfs/dbraw/zinc/39/74/56/460397456.db2.gz NSRPBHNGEPXKSH-UHFFFAOYSA-N 1 2 339.483 3.240 20 30 EGEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000619717278 460421850 /nfs/dbraw/zinc/42/18/50/460421850.db2.gz SUXKEXRPJPMJSK-QGZVFWFLSA-N 1 2 332.375 3.073 20 30 EGEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000619717278 460421853 /nfs/dbraw/zinc/42/18/53/460421853.db2.gz SUXKEXRPJPMJSK-QGZVFWFLSA-N 1 2 332.375 3.073 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000604484483 460433492 /nfs/dbraw/zinc/43/34/92/460433492.db2.gz VCAKHYBBNNZFOK-HNNXBMFYSA-N 1 2 327.409 3.101 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000604484483 460433497 /nfs/dbraw/zinc/43/34/97/460433497.db2.gz VCAKHYBBNNZFOK-HNNXBMFYSA-N 1 2 327.409 3.101 20 30 EGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccccc2CC#N)CC1 ZINC000601449646 460814547 /nfs/dbraw/zinc/81/45/47/460814547.db2.gz UIOCSPJCMWMQKB-OAHLLOKOSA-N 1 2 339.464 3.333 20 30 EGEDLO C=CC[C@H]1CCCN(C(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)C1 ZINC000617779488 460974321 /nfs/dbraw/zinc/97/43/21/460974321.db2.gz BLUMUGMUWFWLHG-ZDUSSCGKSA-N 1 2 333.382 3.438 20 30 EGEDLO C=CC[C@@H]1CCCN(C(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)C1 ZINC000617778321 460974719 /nfs/dbraw/zinc/97/47/19/460974719.db2.gz DDPJSPJGCUIVCW-CHWSQXEVSA-N 1 2 329.366 3.271 20 30 EGEDLO C=CC[N@@H+]([C@H](C)c1cc(C)c(OC)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000637963344 461157671 /nfs/dbraw/zinc/15/76/71/461157671.db2.gz XIUWOFBBRILNTO-HZPDHXFCSA-N 1 2 337.485 3.048 20 30 EGEDLO C=CC[N@H+]([C@H](C)c1cc(C)c(OC)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000637963344 461157679 /nfs/dbraw/zinc/15/76/79/461157679.db2.gz XIUWOFBBRILNTO-HZPDHXFCSA-N 1 2 337.485 3.048 20 30 EGEDLO C=CCC1(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCCC1 ZINC000652474491 461214898 /nfs/dbraw/zinc/21/48/98/461214898.db2.gz ZXIQROZWJKMYEZ-MRXNPFEDSA-N 1 2 328.460 3.096 20 30 EGEDLO C=CCCn1cc(C[N@H+]2CCSC[C@@H]2c2ccc(C)cc2)nn1 ZINC000653557447 461721304 /nfs/dbraw/zinc/72/13/04/461721304.db2.gz VMTBNNWRYJAOSO-GOSISDBHSA-N 1 2 328.485 3.453 20 30 EGEDLO C=CCCn1cc(C[N@@H+]2CCSC[C@@H]2c2ccc(C)cc2)nn1 ZINC000653557447 461721309 /nfs/dbraw/zinc/72/13/09/461721309.db2.gz VMTBNNWRYJAOSO-GOSISDBHSA-N 1 2 328.485 3.453 20 30 EGEDLO C=CC[C@@H]1CCCN(C(=O)NCc2ccc(N(CC)CC)[nH+]c2)C1 ZINC000660387101 461745559 /nfs/dbraw/zinc/74/55/59/461745559.db2.gz GWVCIQRUHHAOBF-MRXNPFEDSA-N 1 2 330.476 3.426 20 30 EGEDLO CCC[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](OC)C[N@@H+]3C)sc2C1 ZINC000329014508 547489541 /nfs/dbraw/zinc/48/95/41/547489541.db2.gz PSTPILFJZZPACE-DYEKYZERSA-N 1 2 337.489 3.355 20 30 EGEDLO CCC[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](OC)C[N@H+]3C)sc2C1 ZINC000329014508 547489544 /nfs/dbraw/zinc/48/95/44/547489544.db2.gz PSTPILFJZZPACE-DYEKYZERSA-N 1 2 337.489 3.355 20 30 EGEDLO C=CCNc1ncc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000676337853 549071614 /nfs/dbraw/zinc/07/16/14/549071614.db2.gz CVNALCUDOYOZRS-UHFFFAOYSA-N 1 2 325.397 3.179 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2CCCC[C@H]2Cc2ccccc2)c1=S ZINC000726181233 574544075 /nfs/dbraw/zinc/54/40/75/574544075.db2.gz JQLJKIUKDVXBPU-INIZCTEOSA-N 1 2 329.473 3.050 20 30 EGEDLO C=CCn1nnn(C[N@H+]2CCCC[C@H]2Cc2ccccc2)c1=S ZINC000726181233 574544077 /nfs/dbraw/zinc/54/40/77/574544077.db2.gz JQLJKIUKDVXBPU-INIZCTEOSA-N 1 2 329.473 3.050 20 30 EGEDLO COc1nc(N(C)C)sc1C=[NH+]Nc1ccc(OC(F)F)cc1 ZINC000726426765 574553787 /nfs/dbraw/zinc/55/37/87/574553787.db2.gz FWMZERYPKVLKQF-UHFFFAOYSA-N 1 2 342.371 3.265 20 30 EGEDLO C#Cc1cccc(NC(=S)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000726442438 574555433 /nfs/dbraw/zinc/55/54/33/574555433.db2.gz CQVMTWNKJUILEA-UHFFFAOYSA-N 1 2 341.505 3.244 20 30 EGEDLO CC[C@H](CC#N)NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000221834899 564036473 /nfs/dbraw/zinc/03/64/73/564036473.db2.gz NIKVBZDRMOWLTA-YQQAZPJKSA-N 1 2 344.459 3.110 20 30 EGEDLO Fc1cc(F)cc(N[NH+]=Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000727254978 574655938 /nfs/dbraw/zinc/65/59/38/574655938.db2.gz GPVXOCSMZAVTRS-UHFFFAOYSA-N 1 2 335.329 3.387 20 30 EGEDLO C#Cc1ccc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)nc1 ZINC000728861829 574779802 /nfs/dbraw/zinc/77/98/02/574779802.db2.gz PYKBBNVHCYHRIZ-UHFFFAOYSA-N 1 2 340.452 3.004 20 30 EGEDLO C=CCc1cc(OCC)cc(C[NH2+]C(C)(C)c2noc(C)n2)c1O ZINC000729848549 574890105 /nfs/dbraw/zinc/89/01/05/574890105.db2.gz CHWASGMDIVWAKC-UHFFFAOYSA-N 1 2 331.416 3.236 20 30 EGEDLO CCOC(=O)c1c(C)[nH]c(C=NNc2cc[nH+]c3ccccc23)c1C ZINC000730148078 574925384 /nfs/dbraw/zinc/92/53/84/574925384.db2.gz NQFYKFNQUXXHEO-UHFFFAOYSA-N 1 2 336.395 3.224 20 30 EGEDLO COCCOc1ccc(C=NNc2[nH]c3cc(F)c(F)cc3[nH+]2)cc1 ZINC000730462442 574989799 /nfs/dbraw/zinc/98/97/99/574989799.db2.gz JPINKHIHMKUVGN-UHFFFAOYSA-N 1 2 346.337 3.312 20 30 EGEDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1nc2ccccc2s1 ZINC000734506220 575503711 /nfs/dbraw/zinc/50/37/11/575503711.db2.gz LJIZVUWMJLILAB-MEDUHNTESA-N 1 2 336.420 3.045 20 30 EGEDLO Cc1ccc(NCCC/[NH+]=C/c2cccc(O)c2O)c([N+](=O)[O-])c1 ZINC000739427776 576410505 /nfs/dbraw/zinc/41/05/05/576410505.db2.gz YWPNAHFJRZGWLF-WOJGMQOQSA-N 1 2 329.356 3.236 20 30 EGEDLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](CCC#N)CC(C)C ZINC000739915244 576518657 /nfs/dbraw/zinc/51/86/57/576518657.db2.gz XOBYGFBSCQJMCO-MRXNPFEDSA-N 1 2 333.501 3.456 20 30 EGEDLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+](CCC#N)CC(C)C ZINC000739915244 576518659 /nfs/dbraw/zinc/51/86/59/576518659.db2.gz XOBYGFBSCQJMCO-MRXNPFEDSA-N 1 2 333.501 3.456 20 30 EGEDLO CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)C[N@@H+]1CCC#N ZINC000740888312 576634462 /nfs/dbraw/zinc/63/44/62/576634462.db2.gz PMPPLNRDNWPHPR-MSOLQXFVSA-N 1 2 329.444 3.412 20 30 EGEDLO CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)C[N@H+]1CCC#N ZINC000740888312 576634463 /nfs/dbraw/zinc/63/44/63/576634463.db2.gz PMPPLNRDNWPHPR-MSOLQXFVSA-N 1 2 329.444 3.412 20 30 EGEDLO CCCCCCCCOCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000741509868 576694923 /nfs/dbraw/zinc/69/49/23/576694923.db2.gz BMJUIIWXTJBLDC-UHFFFAOYSA-N 1 2 333.476 3.107 20 30 EGEDLO CC[C@@H](C)C[C@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000742264918 576764650 /nfs/dbraw/zinc/76/46/50/576764650.db2.gz CIMCQNKMOBVDRE-KGLIPLIRSA-N 1 2 340.471 3.471 20 30 EGEDLO C#CCOc1ccccc1C[NH2+]Cc1cc(O)ccc1Br ZINC000769927265 1303194619 /nfs/dbraw/zinc/19/46/19/1303194619.db2.gz VCAAQIKLKUIGMP-UHFFFAOYSA-N 1 2 346.224 3.457 20 30 EGEDLO CSc1ccc2cc(C[N@@H+]3CC[C@](O)(CC#N)C3)c(Cl)nc2c1 ZINC000829976088 1292650340 /nfs/dbraw/zinc/65/03/40/1292650340.db2.gz VZTLURXSSINCDU-QGZVFWFLSA-N 1 2 347.871 3.461 20 30 EGEDLO CSc1ccc2cc(C[N@H+]3CC[C@](O)(CC#N)C3)c(Cl)nc2c1 ZINC000829976088 1292650352 /nfs/dbraw/zinc/65/03/52/1292650352.db2.gz VZTLURXSSINCDU-QGZVFWFLSA-N 1 2 347.871 3.461 20 30 EGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc(C#N)ccc2F)CC1 ZINC000832242295 1292975838 /nfs/dbraw/zinc/97/58/38/1292975838.db2.gz AGYUWRRTZOGBBT-CYBMUJFWSA-N 1 2 343.427 3.278 20 30 EGEDLO CC(=O)Nc1cccc(CO[NH+]=C(N)Cc2ccc(Cl)cc2)c1 ZINC000106067115 1293047919 /nfs/dbraw/zinc/04/79/19/1293047919.db2.gz UEGMFCXEJDBSCH-UHFFFAOYSA-N 1 2 331.803 3.330 20 30 EGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(C#N)ccc1F ZINC000834426991 1293094353 /nfs/dbraw/zinc/09/43/53/1293094353.db2.gz GZOAVKQZIHSOEU-UHFFFAOYSA-N 1 2 328.391 3.009 20 30 EGEDLO C=CC[N@@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 ZINC000121249987 1293362383 /nfs/dbraw/zinc/36/23/83/1293362383.db2.gz IRMJHZLYADBGAY-UHFFFAOYSA-N 1 2 337.423 3.304 20 30 EGEDLO C=CC[N@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 ZINC000121249987 1293362390 /nfs/dbraw/zinc/36/23/90/1293362390.db2.gz IRMJHZLYADBGAY-UHFFFAOYSA-N 1 2 337.423 3.304 20 30 EGEDLO C=CCn1c(=S)n(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)nc1-c1cccnc1 ZINC000151236596 1293913861 /nfs/dbraw/zinc/91/38/61/1293913861.db2.gz GBZPINQEPFMSQU-IYBDPMFKSA-N 1 2 341.484 3.351 20 30 EGEDLO C=CCn1c(=S)n(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)nc1-c1cccnc1 ZINC000151236596 1293913864 /nfs/dbraw/zinc/91/38/64/1293913864.db2.gz GBZPINQEPFMSQU-IYBDPMFKSA-N 1 2 341.484 3.351 20 30 EGEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000172833168 1294446310 /nfs/dbraw/zinc/44/63/10/1294446310.db2.gz RNIDYNVFTNBOSM-UHFFFAOYSA-N 1 2 326.312 3.007 20 30 EGEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000172833168 1294446314 /nfs/dbraw/zinc/44/63/14/1294446314.db2.gz RNIDYNVFTNBOSM-UHFFFAOYSA-N 1 2 326.312 3.007 20 30 EGEDLO COc1cc(C(=O)/C=C/c2cccc3[nH+]ccn32)cc(OC)c1OC ZINC000178941469 1294764336 /nfs/dbraw/zinc/76/43/36/1294764336.db2.gz XXRCULZKGYZYLN-BQYQJAHWSA-N 1 2 338.363 3.256 20 30 EGEDLO C#CC[N@@H+](Cc1nc(N)c2ccccc2n1)[C@H]1CCc2ccccc21 ZINC000181138076 1294942674 /nfs/dbraw/zinc/94/26/74/1294942674.db2.gz MKRBHNBHGQGZNK-IBGZPJMESA-N 1 2 328.419 3.335 20 30 EGEDLO C#CC[N@H+](Cc1nc(N)c2ccccc2n1)[C@H]1CCc2ccccc21 ZINC000181138076 1294942683 /nfs/dbraw/zinc/94/26/83/1294942683.db2.gz MKRBHNBHGQGZNK-IBGZPJMESA-N 1 2 328.419 3.335 20 30 EGEDLO N#Cc1ccc(C[N@@H+](CC(=O)Nc2cccnc2Cl)C2CC2)cc1 ZINC000194964760 1296023649 /nfs/dbraw/zinc/02/36/49/1296023649.db2.gz VWKHKJGGQWULFG-UHFFFAOYSA-N 1 2 340.814 3.210 20 30 EGEDLO N#Cc1ccc(C[N@H+](CC(=O)Nc2cccnc2Cl)C2CC2)cc1 ZINC000194964760 1296023657 /nfs/dbraw/zinc/02/36/57/1296023657.db2.gz VWKHKJGGQWULFG-UHFFFAOYSA-N 1 2 340.814 3.210 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000444921406 1297863342 /nfs/dbraw/zinc/86/33/42/1297863342.db2.gz LZQZPJIUSRONTO-CYBMUJFWSA-N 1 2 343.818 3.357 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)c2cccc(F)c2)C1 ZINC000586065905 1298048356 /nfs/dbraw/zinc/04/83/56/1298048356.db2.gz UQQLPYISIVOADH-IBGZPJMESA-N 1 2 337.398 3.092 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)c2cccc(F)c2)C1 ZINC000586065905 1298048375 /nfs/dbraw/zinc/04/83/75/1298048375.db2.gz UQQLPYISIVOADH-IBGZPJMESA-N 1 2 337.398 3.092 20 30 EGEDLO C=CCC[C@H](CO)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708078476 1298235524 /nfs/dbraw/zinc/23/55/24/1298235524.db2.gz XUZCKVBLXJFALG-LLVKDONJSA-N 1 2 334.641 3.225 20 30 EGEDLO C=CCOc1ccccc1C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000746323324 1298568351 /nfs/dbraw/zinc/56/83/51/1298568351.db2.gz RDEDZPNZQZSLBX-UHFFFAOYSA-N 1 2 338.398 3.053 20 30 EGEDLO C=CCOc1ccccc1C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000746323324 1298568357 /nfs/dbraw/zinc/56/83/57/1298568357.db2.gz RDEDZPNZQZSLBX-UHFFFAOYSA-N 1 2 338.398 3.053 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3ccc4nccnc4c3)CCO2)c1 ZINC000876817049 1299010947 /nfs/dbraw/zinc/01/09/47/1299010947.db2.gz WPCVYFJWGSFOFN-HXUWFJFHSA-N 1 2 330.391 3.075 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccc4nccnc4c3)CCO2)c1 ZINC000876817049 1299010962 /nfs/dbraw/zinc/01/09/62/1299010962.db2.gz WPCVYFJWGSFOFN-HXUWFJFHSA-N 1 2 330.391 3.075 20 30 EGEDLO N#Cc1cccn(C[N@@H+](Cc2ccccc2C(F)(F)F)C2CC2)c1=O ZINC000758190324 1300808592 /nfs/dbraw/zinc/80/85/92/1300808592.db2.gz LQXYGRDTHZEASH-UHFFFAOYSA-N 1 2 347.340 3.361 20 30 EGEDLO N#Cc1cccn(C[N@H+](Cc2ccccc2C(F)(F)F)C2CC2)c1=O ZINC000758190324 1300808601 /nfs/dbraw/zinc/80/86/01/1300808601.db2.gz LQXYGRDTHZEASH-UHFFFAOYSA-N 1 2 347.340 3.361 20 30 EGEDLO C#CC[N@@H+](Cc1nc2ccc(OC)nc2[nH]1)[C@@H]1CCc2ccccc21 ZINC000760855477 1301351436 /nfs/dbraw/zinc/35/14/36/1301351436.db2.gz YOAHVQKOCZZVFW-QGZVFWFLSA-N 1 2 332.407 3.089 20 30 EGEDLO C#CC[N@H+](Cc1nc2ccc(OC)nc2[nH]1)[C@@H]1CCc2ccccc21 ZINC000760855477 1301351441 /nfs/dbraw/zinc/35/14/41/1301351441.db2.gz YOAHVQKOCZZVFW-QGZVFWFLSA-N 1 2 332.407 3.089 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](C)[C@@H](C)C2(C)CC2)c1=S ZINC000765066841 1302194931 /nfs/dbraw/zinc/19/49/31/1302194931.db2.gz FBLHKPAQKLSAIC-ZDUSSCGKSA-N 1 2 344.488 3.135 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](C)[C@@H](C)C2(C)CC2)c1=S ZINC000765066841 1302194938 /nfs/dbraw/zinc/19/49/38/1302194938.db2.gz FBLHKPAQKLSAIC-ZDUSSCGKSA-N 1 2 344.488 3.135 20 30 EGEDLO COc1cc(C#N)ccc1NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000766240517 1302414099 /nfs/dbraw/zinc/41/40/99/1302414099.db2.gz CIAIBIVRXPRPEE-UHFFFAOYSA-N 1 2 347.378 3.074 20 30 EGEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000769309216 1303089931 /nfs/dbraw/zinc/08/99/31/1303089931.db2.gz SPUMLWCRFPBTSN-HXUWFJFHSA-N 1 2 325.383 3.411 20 30 EGEDLO C#CCOc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000769309216 1303089937 /nfs/dbraw/zinc/08/99/37/1303089937.db2.gz SPUMLWCRFPBTSN-HXUWFJFHSA-N 1 2 325.383 3.411 20 30 EGEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(N2CCc3ccccc32)cc1 ZINC000769977224 1303201720 /nfs/dbraw/zinc/20/17/20/1303201720.db2.gz BFLRPBONCHKAGQ-MRXNPFEDSA-N 1 2 333.435 3.273 20 30 EGEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(N2CCc3ccccc32)cc1 ZINC000769977224 1303201728 /nfs/dbraw/zinc/20/17/28/1303201728.db2.gz BFLRPBONCHKAGQ-MRXNPFEDSA-N 1 2 333.435 3.273 20 30 EGEDLO C=CCC1(O)CC[NH+]([C@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000886766835 1303590575 /nfs/dbraw/zinc/59/05/75/1303590575.db2.gz SLUYFXVKWVBRHB-OAHLLOKOSA-N 1 2 327.428 3.124 20 30 EGEDLO N#Cc1ccc(NC(=O)c2cccc3[nH+]ccn32)cc1C(F)(F)F ZINC000776962520 1304224519 /nfs/dbraw/zinc/22/45/19/1304224519.db2.gz NCANHZKHIMHGBC-UHFFFAOYSA-N 1 2 330.269 3.477 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cccnc1OCC ZINC000778155529 1304405242 /nfs/dbraw/zinc/40/52/42/1304405242.db2.gz BLDBZFGXFOORTE-UHFFFAOYSA-N 1 2 330.815 3.436 20 30 EGEDLO Cn1c[nH+]cc1COC(=O)c1ccccc1Oc1ccccc1C#N ZINC000778312244 1304434858 /nfs/dbraw/zinc/43/48/58/1304434858.db2.gz HHMGFFOZSOSRIE-UHFFFAOYSA-N 1 2 333.347 3.441 20 30 EGEDLO C#CCSCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000890265044 1304734573 /nfs/dbraw/zinc/73/45/73/1304734573.db2.gz MBCGBNKQXQTWON-UHFFFAOYSA-N 1 2 325.437 3.191 20 30 EGEDLO NC(=[NH+]OCc1cccc(Cl)n1)c1ccc(Br)cc1 ZINC000782950361 1305027794 /nfs/dbraw/zinc/02/77/94/1305027794.db2.gz WPTMYFKCMGUBJG-UHFFFAOYSA-N 1 2 340.608 3.335 20 30 EGEDLO Cc1nsc(N(C)C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1C#N ZINC000891423999 1305047870 /nfs/dbraw/zinc/04/78/70/1305047870.db2.gz KAYJBHZCDPPPPK-AWEZNQCLSA-N 1 2 348.859 3.242 20 30 EGEDLO CC(C)(C#N)CCCOC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000783805834 1305148458 /nfs/dbraw/zinc/14/84/58/1305148458.db2.gz OIVKGPJDDWYSBJ-GOSISDBHSA-N 1 2 344.455 3.151 20 30 EGEDLO CC(C)(C#N)CCCOC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000783805834 1305148459 /nfs/dbraw/zinc/14/84/59/1305148459.db2.gz OIVKGPJDDWYSBJ-GOSISDBHSA-N 1 2 344.455 3.151 20 30 EGEDLO Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1C=[NH+]NC1CCCCC1 ZINC000786042152 1305498782 /nfs/dbraw/zinc/49/87/82/1305498782.db2.gz LUYGJUXGUFATSZ-UHFFFAOYSA-N 1 2 347.422 3.217 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(OCC)c(F)c2)c1 ZINC000787124647 1305693801 /nfs/dbraw/zinc/69/38/01/1305693801.db2.gz NPRBQYFHFUWHLY-UHFFFAOYSA-N 1 2 340.398 3.276 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(OCC)c(F)c2)c1 ZINC000787124647 1305693810 /nfs/dbraw/zinc/69/38/10/1305693810.db2.gz NPRBQYFHFUWHLY-UHFFFAOYSA-N 1 2 340.398 3.276 20 30 EGEDLO Oc1ccc(/C=[NH+]/C[C@H]2CCCN(c3ccccc3)C2)c(O)c1O ZINC000788318475 1305920638 /nfs/dbraw/zinc/92/06/38/1305920638.db2.gz DTQAQUMVCKIMQP-MQMKENTISA-N 1 2 326.396 3.139 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cccc(Br)c2O)n1 ZINC000789762414 1306212296 /nfs/dbraw/zinc/21/22/96/1306212296.db2.gz XEXABJGGHIMOKV-UHFFFAOYSA-N 1 2 348.244 3.007 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cccc(Br)c2O)n1 ZINC000789762414 1306212307 /nfs/dbraw/zinc/21/23/07/1306212307.db2.gz XEXABJGGHIMOKV-UHFFFAOYSA-N 1 2 348.244 3.007 20 30 EGEDLO COCCN(C)c1ccc(C=[NH+]Nc2ccc(Cl)c(F)c2)cn1 ZINC000790166819 1306271254 /nfs/dbraw/zinc/27/12/54/1306271254.db2.gz CVOORGBGIHVTKK-UHFFFAOYSA-N 1 2 336.798 3.403 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)cn1 ZINC000791047752 1308917666 /nfs/dbraw/zinc/91/76/66/1308917666.db2.gz BUGAOSONZRDDJO-UHFFFAOYSA-N 1 2 346.356 3.294 20 30 EGEDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccccc1OCC#N ZINC000791348838 1308967208 /nfs/dbraw/zinc/96/72/08/1308967208.db2.gz WAQRJNQFQBJGOU-UHFFFAOYSA-N 1 2 347.374 3.440 20 30 EGEDLO C#C[C@@H](CCC)NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000791742549 1309055133 /nfs/dbraw/zinc/05/51/33/1309055133.db2.gz ICJTTWNTQNPYLN-HNNXBMFYSA-N 1 2 335.451 3.145 20 30 EGEDLO C#C[C@@H](CCC)NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000791742549 1309055141 /nfs/dbraw/zinc/05/51/41/1309055141.db2.gz ICJTTWNTQNPYLN-HNNXBMFYSA-N 1 2 335.451 3.145 20 30 EGEDLO N#Cc1ccccc1N1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792163371 1309133152 /nfs/dbraw/zinc/13/31/52/1309133152.db2.gz XXLSVMOBAAJHGD-UHFFFAOYSA-N 1 2 345.805 3.379 20 30 EGEDLO Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1C=[NH+]N[C@@H](C)C(C)(C)C ZINC000793117034 1309298246 /nfs/dbraw/zinc/29/82/46/1309298246.db2.gz WNXSMLZSSMEOFG-ZDUSSCGKSA-N 1 2 349.438 3.319 20 30 EGEDLO Cc1cc(C(=O)OCCc2c[nH+]cn2C)c(C)n1-c1ccc(C#N)cc1 ZINC000793239734 1309327630 /nfs/dbraw/zinc/32/76/30/1309327630.db2.gz UDJBNUBKIHTUMF-UHFFFAOYSA-N 1 2 348.406 3.099 20 30 EGEDLO Cn1c[nH+]cc1CCOC(=O)c1ccccc1-c1ccccc1C#N ZINC000793251829 1309331250 /nfs/dbraw/zinc/33/12/50/1309331250.db2.gz URJYBIQZKKDCPL-UHFFFAOYSA-N 1 2 331.375 3.358 20 30 EGEDLO C[N@@H+](Cc1cccc(Cl)c1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793483808 1309382089 /nfs/dbraw/zinc/38/20/89/1309382089.db2.gz OBZIHUKXXKYLCB-UHFFFAOYSA-N 1 2 341.842 3.342 20 30 EGEDLO C[N@H+](Cc1cccc(Cl)c1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793483808 1309382099 /nfs/dbraw/zinc/38/20/99/1309382099.db2.gz OBZIHUKXXKYLCB-UHFFFAOYSA-N 1 2 341.842 3.342 20 30 EGEDLO Cc1cc(C)c2c(c1)OC/C(=C/c1ncc(C[NH+](C)C)s1)C2=O ZINC000794702609 1309577526 /nfs/dbraw/zinc/57/75/26/1309577526.db2.gz ZZFMAYLZFYYAIB-QPEQYQDCSA-N 1 2 328.437 3.480 20 30 EGEDLO Cc1cccc(C)c1C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000798274730 1310333474 /nfs/dbraw/zinc/33/34/74/1310333474.db2.gz JRCPQIFOTWLQFA-DOTOQJQBSA-N 1 2 329.444 3.152 20 30 EGEDLO C#C[C@@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)C(C)C ZINC000799182441 1310501784 /nfs/dbraw/zinc/50/17/84/1310501784.db2.gz RHRUNFXSZNBISS-DZGCQCFKSA-N 1 2 334.489 3.154 20 30 EGEDLO C#C[C@@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)C(C)C ZINC000799182441 1310501791 /nfs/dbraw/zinc/50/17/91/1310501791.db2.gz RHRUNFXSZNBISS-DZGCQCFKSA-N 1 2 334.489 3.154 20 30 EGEDLO C#CCC(C)(C)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000799424983 1310547226 /nfs/dbraw/zinc/54/72/26/1310547226.db2.gz FSCQXVCODSNEEY-KRWDZBQOSA-N 1 2 342.483 3.168 20 30 EGEDLO C#CCC(C)(C)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000799424983 1310547232 /nfs/dbraw/zinc/54/72/32/1310547232.db2.gz FSCQXVCODSNEEY-KRWDZBQOSA-N 1 2 342.483 3.168 20 30 EGEDLO C[NH+](C)c1ccc(N2CCC(N=Nc3ncc(Cl)cn3)CC2)cc1 ZINC000857222872 1328524945 /nfs/dbraw/zinc/52/49/45/1328524945.db2.gz FPNLMLAVEPXNCM-UHFFFAOYSA-N 1 2 344.850 3.264 20 30 EGEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1ccc(N2CCOC2=O)cc1 ZINC000901464453 1317431571 /nfs/dbraw/zinc/43/15/71/1317431571.db2.gz JIZARICBDPDKBN-FPLPWBNLSA-N 1 2 325.368 3.317 20 30 EGEDLO Cn1c[nH+]cc1/C=C\C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000901482296 1317434908 /nfs/dbraw/zinc/43/49/08/1317434908.db2.gz WLIGXSMLFYVASI-FLIBITNWSA-N 1 2 344.436 3.033 20 30 EGEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1C[C@@H](c2ccc(F)cc2)CC1=O ZINC000902050122 1317513687 /nfs/dbraw/zinc/51/36/87/1317513687.db2.gz SHJRJPJTSFYMOG-SFHVURJKSA-N 1 2 337.398 3.103 20 30 EGEDLO C[N@H+](Cc1cccc(C#N)c1)CN1C[C@@H](c2ccc(F)cc2)CC1=O ZINC000902050122 1317513693 /nfs/dbraw/zinc/51/36/93/1317513693.db2.gz SHJRJPJTSFYMOG-SFHVURJKSA-N 1 2 337.398 3.103 20 30 EGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@@H](C#N)C3)n2)C1 ZINC000902916761 1317629871 /nfs/dbraw/zinc/62/98/71/1317629871.db2.gz BXZMTOFAVLXCRW-KGLIPLIRSA-N 1 2 347.488 3.142 20 30 EGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@@H](C#N)C3)n2)C1 ZINC000902916761 1317629876 /nfs/dbraw/zinc/62/98/76/1317629876.db2.gz BXZMTOFAVLXCRW-KGLIPLIRSA-N 1 2 347.488 3.142 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]Cc2ccc3occc3c2)C1 ZINC000809638937 1317854816 /nfs/dbraw/zinc/85/48/16/1317854816.db2.gz GHHBCJBRYUNNOX-JKSUJKDBSA-N 1 2 341.411 3.281 20 30 EGEDLO Cc1cc(C#N)cc(C)c1CC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000905719170 1317984032 /nfs/dbraw/zinc/98/40/32/1317984032.db2.gz GEBROUAOJOYFLJ-UHFFFAOYSA-N 1 2 348.450 3.029 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000906468339 1318105577 /nfs/dbraw/zinc/10/55/77/1318105577.db2.gz JPRCCPBVACEKRN-BBRMVZONSA-N 1 2 331.803 3.445 20 30 EGEDLO C[C@@H](c1cccc(NC(=O)c2ccsc2C#N)c1)[NH+]1CCOCC1 ZINC000906576797 1318118873 /nfs/dbraw/zinc/11/88/73/1318118873.db2.gz VHHPNWSKCGDNNX-ZDUSSCGKSA-N 1 2 341.436 3.265 20 30 EGEDLO Cc1nsc(N2CC[NH+](Cc3cc(Cl)ccc3O)CC2)c1C#N ZINC000811513990 1318192752 /nfs/dbraw/zinc/19/27/52/1318192752.db2.gz YWRWRMSYULWCFS-UHFFFAOYSA-N 1 2 348.859 3.004 20 30 EGEDLO CC[C@](C)(C#N)C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907816788 1318267903 /nfs/dbraw/zinc/26/79/03/1318267903.db2.gz XUSIVQUMWCZKGL-AUUYWEPGSA-N 1 2 328.460 3.371 20 30 EGEDLO CC[C@](C)(C#N)C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907816788 1318267908 /nfs/dbraw/zinc/26/79/08/1318267908.db2.gz XUSIVQUMWCZKGL-AUUYWEPGSA-N 1 2 328.460 3.371 20 30 EGEDLO Cc1cc(C)c(C(=O)N2CCC(C#N)(c3ccccn3)CC2)c(C)[nH+]1 ZINC000908015428 1318291705 /nfs/dbraw/zinc/29/17/05/1318291705.db2.gz DNCMSMCCSHWAEY-UHFFFAOYSA-N 1 2 334.423 3.099 20 30 EGEDLO CC(C)=C(F)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000960566483 1318699123 /nfs/dbraw/zinc/69/91/23/1318699123.db2.gz XMMYSLOSYGHNNS-KRWDZBQOSA-N 1 2 347.409 3.384 20 30 EGEDLO CC(C)=C(F)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000960566483 1318699137 /nfs/dbraw/zinc/69/91/37/1318699137.db2.gz XMMYSLOSYGHNNS-KRWDZBQOSA-N 1 2 347.409 3.384 20 30 EGEDLO CC(N=Nc1nc(-c2cccnc2)no1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000814948575 1318858397 /nfs/dbraw/zinc/85/83/97/1318858397.db2.gz URMUTGFMMFDUEO-UHFFFAOYSA-N 1 2 345.366 3.153 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC000960786987 1318886620 /nfs/dbraw/zinc/88/66/20/1318886620.db2.gz GRTOVUDTIHSOHT-OAHLLOKOSA-N 1 2 331.460 3.187 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ncc(C2CC2)o1 ZINC000960786987 1318886630 /nfs/dbraw/zinc/88/66/30/1318886630.db2.gz GRTOVUDTIHSOHT-OAHLLOKOSA-N 1 2 331.460 3.187 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)[C@H](C)c2nnc(C)o2)CC1 ZINC000960832750 1318961983 /nfs/dbraw/zinc/96/19/83/1318961983.db2.gz OVPYBGKRBKWELL-RHSMWYFYSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)[C@H](C)c2nnc(C)o2)CC1 ZINC000960832750 1318961991 /nfs/dbraw/zinc/96/19/91/1318961991.db2.gz OVPYBGKRBKWELL-RHSMWYFYSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nc(C)c(C)o1 ZINC000960837590 1318969647 /nfs/dbraw/zinc/96/96/47/1318969647.db2.gz JXFKWGGGEQBMMV-VQIMIIECSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nc(C)c(C)o1 ZINC000960837590 1318969651 /nfs/dbraw/zinc/96/96/51/1318969651.db2.gz JXFKWGGGEQBMMV-VQIMIIECSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2nc(C)cs2)C1 ZINC000960844690 1318979837 /nfs/dbraw/zinc/97/98/37/1318979837.db2.gz ACVPAUCYWYSFBT-OAHLLOKOSA-N 1 2 333.501 3.231 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2nc(C)cs2)C1 ZINC000960844690 1318979851 /nfs/dbraw/zinc/97/98/51/1318979851.db2.gz ACVPAUCYWYSFBT-OAHLLOKOSA-N 1 2 333.501 3.231 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2nc(C)c(C)o2)C1 ZINC000960844832 1318980642 /nfs/dbraw/zinc/98/06/42/1318980642.db2.gz BOYKXYTYHJBOJY-INIZCTEOSA-N 1 2 331.460 3.071 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2nc(C)c(C)o2)C1 ZINC000960844832 1318980653 /nfs/dbraw/zinc/98/06/53/1318980653.db2.gz BOYKXYTYHJBOJY-INIZCTEOSA-N 1 2 331.460 3.071 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000960888573 1319026854 /nfs/dbraw/zinc/02/68/54/1319026854.db2.gz ATTVUIUJDOSMEL-NIKGAXFTSA-N 1 2 343.446 3.166 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000960888573 1319026863 /nfs/dbraw/zinc/02/68/63/1319026863.db2.gz ATTVUIUJDOSMEL-NIKGAXFTSA-N 1 2 343.446 3.166 20 30 EGEDLO Fc1ccccc1C=NOCc1cccc(C[NH+]2CCOCC2)c1 ZINC000817377127 1319343749 /nfs/dbraw/zinc/34/37/49/1319343749.db2.gz JSAOYPQNLKVDIB-UHFFFAOYSA-N 1 2 328.387 3.209 20 30 EGEDLO C=CCn1cc(C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)nn1 ZINC000818346992 1319533648 /nfs/dbraw/zinc/53/36/48/1319533648.db2.gz LZZORVLKTCINFP-SECBINFHSA-N 1 2 327.215 3.327 20 30 EGEDLO CC(C)n1c[nH+]cc1CN=Nc1ncnc2sc3c(c21)CCC3 ZINC000819806439 1319789055 /nfs/dbraw/zinc/78/90/55/1319789055.db2.gz PRGXCPVNMOYKBH-UHFFFAOYSA-N 1 2 326.429 3.403 20 30 EGEDLO C#C[C@@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000820572002 1319913748 /nfs/dbraw/zinc/91/37/48/1319913748.db2.gz AAXKPPPTVKZSKC-DLBZAZTESA-N 1 2 342.830 3.258 20 30 EGEDLO C#C[C@H](CCC)NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000820647860 1319927241 /nfs/dbraw/zinc/92/72/41/1319927241.db2.gz WNQYVYWHSPXCEQ-NEWSRXKRSA-N 1 2 336.439 3.213 20 30 EGEDLO CC[NH+](CC)Cc1csc(NC(=O)c2cc(C#N)ccc2F)n1 ZINC000823224674 1320163415 /nfs/dbraw/zinc/16/34/15/1320163415.db2.gz VIWKSOLJUXVTJI-UHFFFAOYSA-N 1 2 332.404 3.248 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCS(=O)(=O)Cc1ccccc1 ZINC000823616760 1320192774 /nfs/dbraw/zinc/19/27/74/1320192774.db2.gz BPLMUDXHTQZSHB-MRXNPFEDSA-N 1 2 342.464 3.166 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCS(=O)(=O)Cc1ccccc1 ZINC000823616760 1320192775 /nfs/dbraw/zinc/19/27/75/1320192775.db2.gz BPLMUDXHTQZSHB-MRXNPFEDSA-N 1 2 342.464 3.166 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC1(c2noc(C[NH+](CC)CC)n2)CCCC1 ZINC000930650390 1328925792 /nfs/dbraw/zinc/92/57/92/1328925792.db2.gz NIQAHMIYNLUYBZ-HNNXBMFYSA-N 1 2 348.491 3.399 20 30 EGEDLO COc1ccc(Br)c(N=NC(C)c2cn(C)c(C)[nH+]2)c1 ZINC000841657028 1321293012 /nfs/dbraw/zinc/29/30/12/1321293012.db2.gz DZLIAWKIJHTCBX-UHFFFAOYSA-N 1 2 337.221 3.336 20 30 EGEDLO C#CC1CC[NH+](Cn2[nH]c(/C=C/c3ccc(C)o3)nc2=S)CC1 ZINC000842633449 1321410313 /nfs/dbraw/zinc/41/03/13/1321410313.db2.gz HTTOOVBFXIDAPZ-VOTSOKGWSA-N 1 2 328.441 3.315 20 30 EGEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000846995900 1321831853 /nfs/dbraw/zinc/83/18/53/1321831853.db2.gz UYDLBKLLPBYBOF-HZPDHXFCSA-N 1 2 328.460 3.286 20 30 EGEDLO Cc1cccc([C@@H]2C(=O)NCC[N@H+]2CCCCC2(C#N)CCC2)c1 ZINC000930896966 1329000554 /nfs/dbraw/zinc/00/05/54/1329000554.db2.gz LCNCJGUKFSJRIH-GOSISDBHSA-N 1 2 325.456 3.332 20 30 EGEDLO Cc1cccc([C@@H]2C(=O)NCC[N@@H+]2CCCCC2(C#N)CCC2)c1 ZINC000930896966 1329000559 /nfs/dbraw/zinc/00/05/59/1329000559.db2.gz LCNCJGUKFSJRIH-GOSISDBHSA-N 1 2 325.456 3.332 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000852319916 1323178688 /nfs/dbraw/zinc/17/86/88/1323178688.db2.gz TXFARAQXHOQMNS-KRWDZBQOSA-N 1 2 340.471 3.241 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000852319916 1323178693 /nfs/dbraw/zinc/17/86/93/1323178693.db2.gz TXFARAQXHOQMNS-KRWDZBQOSA-N 1 2 340.471 3.241 20 30 EGEDLO CC(C)(C)OC(=O)NCC12CC(C1)C[N@@H+]2Cc1ccccc1C#N ZINC000852529021 1323205782 /nfs/dbraw/zinc/20/57/82/1323205782.db2.gz MRTIQIWMLPPXAH-UHFFFAOYSA-N 1 2 327.428 3.047 20 30 EGEDLO CC(C)(C)OC(=O)NCC12CC(C1)C[N@H+]2Cc1ccccc1C#N ZINC000852529021 1323205785 /nfs/dbraw/zinc/20/57/85/1323205785.db2.gz MRTIQIWMLPPXAH-UHFFFAOYSA-N 1 2 327.428 3.047 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(Cl)cn1C ZINC001024541733 1323483714 /nfs/dbraw/zinc/48/37/14/1323483714.db2.gz PMHRGBCDPCNURV-CYBMUJFWSA-N 1 2 330.259 3.015 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(Cl)cn1C ZINC001024541733 1323483721 /nfs/dbraw/zinc/48/37/21/1323483721.db2.gz PMHRGBCDPCNURV-CYBMUJFWSA-N 1 2 330.259 3.015 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)CCN2C ZINC001024749885 1323653222 /nfs/dbraw/zinc/65/32/22/1323653222.db2.gz IKWMGWQVXUQTNT-QGZVFWFLSA-N 1 2 347.890 3.016 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)CCN2C ZINC001024749885 1323653227 /nfs/dbraw/zinc/65/32/27/1323653227.db2.gz IKWMGWQVXUQTNT-QGZVFWFLSA-N 1 2 347.890 3.016 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C)cc1OC ZINC001024767579 1323667913 /nfs/dbraw/zinc/66/79/13/1323667913.db2.gz FDCFYEWABVJNAE-OAHLLOKOSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C)cc1OC ZINC001024767579 1323667921 /nfs/dbraw/zinc/66/79/21/1323667921.db2.gz FDCFYEWABVJNAE-OAHLLOKOSA-N 1 2 336.863 3.340 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NCCCNC(=O)c1cccs1 ZINC000853244495 1325071437 /nfs/dbraw/zinc/07/14/37/1325071437.db2.gz JASLVPKMEZECRN-UHFFFAOYSA-N 1 2 343.452 3.167 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CCOC2(CCOCC2)C1 ZINC000853450904 1325094638 /nfs/dbraw/zinc/09/46/38/1325094638.db2.gz QQDVGJSLWFPJBV-INIZCTEOSA-N 1 2 330.428 3.014 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000853637915 1325139028 /nfs/dbraw/zinc/13/90/28/1325139028.db2.gz VQDNXCZEQVZUNM-NQIIRXRSSA-N 1 2 336.435 3.452 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)CC2CCCC2)C1 ZINC001027279375 1325402854 /nfs/dbraw/zinc/40/28/54/1325402854.db2.gz VSAWDZKZKFDROD-OAHLLOKOSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)CC2CCCC2)C1 ZINC001027279375 1325402859 /nfs/dbraw/zinc/40/28/59/1325402859.db2.gz VSAWDZKZKFDROD-OAHLLOKOSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC23CCC3)C1 ZINC001027595876 1327944034 /nfs/dbraw/zinc/94/40/34/1327944034.db2.gz IZSBHTGMZXOHOI-UONOGXRCSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC23CCC3)C1 ZINC001027595876 1327944037 /nfs/dbraw/zinc/94/40/37/1327944037.db2.gz IZSBHTGMZXOHOI-UONOGXRCSA-N 1 2 341.293 3.008 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)c2cccs2)c(F)c1 ZINC001027734106 1328159459 /nfs/dbraw/zinc/15/94/59/1328159459.db2.gz QTSGITDREXCANO-HNNXBMFYSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)c2cccs2)c(F)c1 ZINC001027734106 1328159462 /nfs/dbraw/zinc/15/94/62/1328159462.db2.gz QTSGITDREXCANO-HNNXBMFYSA-N 1 2 343.427 3.153 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2ccc(F)cc2F)C1 ZINC000966239627 1328234475 /nfs/dbraw/zinc/23/44/75/1328234475.db2.gz WOWUBJULUWNVHW-BZNIZROVSA-N 1 2 342.817 3.086 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2ccc(F)cc2F)C1 ZINC000966239627 1328234483 /nfs/dbraw/zinc/23/44/83/1328234483.db2.gz WOWUBJULUWNVHW-BZNIZROVSA-N 1 2 342.817 3.086 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2c(C)cccc2C)C1 ZINC000966493230 1328322788 /nfs/dbraw/zinc/32/27/88/1328322788.db2.gz UPMCJNCHOIODRL-YJBOKZPZSA-N 1 2 334.891 3.425 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2c(C)cccc2C)C1 ZINC000966493230 1328322792 /nfs/dbraw/zinc/32/27/92/1328322792.db2.gz UPMCJNCHOIODRL-YJBOKZPZSA-N 1 2 334.891 3.425 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2cnco2)cc1 ZINC001027973621 1328448911 /nfs/dbraw/zinc/44/89/11/1328448911.db2.gz VLJOOSPSBXIHQV-MRXNPFEDSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2cnco2)cc1 ZINC001027973621 1328448915 /nfs/dbraw/zinc/44/89/15/1328448915.db2.gz VLJOOSPSBXIHQV-MRXNPFEDSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)c2cc(C)ccn2)C1 ZINC000966903367 1328465538 /nfs/dbraw/zinc/46/55/38/1328465538.db2.gz FQNBOECVELUGKD-ZBFHGGJFSA-N 1 2 349.906 3.247 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)c2cc(C)ccn2)C1 ZINC000966903367 1328465542 /nfs/dbraw/zinc/46/55/42/1328465542.db2.gz FQNBOECVELUGKD-ZBFHGGJFSA-N 1 2 349.906 3.247 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000863616851 1329567916 /nfs/dbraw/zinc/56/79/16/1329567916.db2.gz QNFSOYSDSPIQTB-ZDUSSCGKSA-N 1 2 328.359 3.335 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000863616851 1329567919 /nfs/dbraw/zinc/56/79/19/1329567919.db2.gz QNFSOYSDSPIQTB-ZDUSSCGKSA-N 1 2 328.359 3.335 20 30 EGEDLO N#Cc1cccc(OC2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)c1 ZINC000932005201 1329778151 /nfs/dbraw/zinc/77/81/51/1329778151.db2.gz NKYPAALSEWLGQX-UHFFFAOYSA-N 1 2 346.390 3.118 20 30 EGEDLO Cc1nc(CC2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)no1 ZINC000932242847 1329799647 /nfs/dbraw/zinc/79/96/47/1329799647.db2.gz OWQMJKSLNIPADA-UHFFFAOYSA-N 1 2 330.819 3.358 20 30 EGEDLO Cc1cc(NCC[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)nc(C(C)C)[nH+]1 ZINC001063266244 1351784266 /nfs/dbraw/zinc/78/42/66/1351784266.db2.gz WVWZWCDTWADYHR-GOEBONIOSA-N 1 2 343.475 3.109 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C2CCCC2)C[C@H]1C ZINC000946976632 1332952521 /nfs/dbraw/zinc/95/25/21/1332952521.db2.gz XWGBOWFNHODTOY-TZMCWYRMSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C2CCCC2)C[C@H]1C ZINC000946976632 1332952523 /nfs/dbraw/zinc/95/25/23/1332952523.db2.gz XWGBOWFNHODTOY-TZMCWYRMSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2occc2C)C[C@H]1C ZINC000947057804 1332994914 /nfs/dbraw/zinc/99/49/14/1332994914.db2.gz USYDOSQMVNQDIX-OLZOCXBDSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2occc2C)C[C@H]1C ZINC000947057804 1332994915 /nfs/dbraw/zinc/99/49/15/1332994915.db2.gz USYDOSQMVNQDIX-OLZOCXBDSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C2(F)CCCC2)C[C@@H]1C ZINC000947464892 1333139182 /nfs/dbraw/zinc/13/91/82/1333139182.db2.gz XWRWNQUAUAPCCH-QWHCGFSZSA-N 1 2 347.272 3.146 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C2(F)CCCC2)C[C@@H]1C ZINC000947464892 1333139186 /nfs/dbraw/zinc/13/91/86/1333139186.db2.gz XWRWNQUAUAPCCH-QWHCGFSZSA-N 1 2 347.272 3.146 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC000948889710 1333720332 /nfs/dbraw/zinc/72/03/32/1333720332.db2.gz DUBXZLHRDDAINK-SFHVURJKSA-N 1 2 341.842 3.021 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC000948889710 1333720333 /nfs/dbraw/zinc/72/03/33/1333720333.db2.gz DUBXZLHRDDAINK-SFHVURJKSA-N 1 2 341.842 3.021 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccsc1C ZINC000948913381 1333731519 /nfs/dbraw/zinc/73/15/19/1333731519.db2.gz SBLUEZHCOIJJPU-IBGZPJMESA-N 1 2 338.476 3.409 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccsc1C ZINC000948913381 1333731521 /nfs/dbraw/zinc/73/15/21/1333731521.db2.gz SBLUEZHCOIJJPU-IBGZPJMESA-N 1 2 338.476 3.409 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc2occc2c1 ZINC000948920194 1333734679 /nfs/dbraw/zinc/73/46/79/1333734679.db2.gz XYKVXFBNJYGLKA-FQEVSTJZSA-N 1 2 344.414 3.395 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc2occc2c1 ZINC000948920194 1333734683 /nfs/dbraw/zinc/73/46/83/1333734683.db2.gz XYKVXFBNJYGLKA-FQEVSTJZSA-N 1 2 344.414 3.395 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1coc(C(F)F)c1 ZINC000948953750 1333745894 /nfs/dbraw/zinc/74/58/94/1333745894.db2.gz GKHHPDJKZCEWAG-MRXNPFEDSA-N 1 2 344.361 3.180 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1coc(C(F)F)c1 ZINC000948953750 1333745896 /nfs/dbraw/zinc/74/58/96/1333745896.db2.gz GKHHPDJKZCEWAG-MRXNPFEDSA-N 1 2 344.361 3.180 20 30 EGEDLO C=C(C)C[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1nccs1 ZINC000948974882 1333752720 /nfs/dbraw/zinc/75/27/20/1333752720.db2.gz NOYJOHJZRROODW-MRXNPFEDSA-N 1 2 327.453 3.048 20 30 EGEDLO C=C(C)C[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1nccs1 ZINC000948974882 1333752721 /nfs/dbraw/zinc/75/27/21/1333752721.db2.gz NOYJOHJZRROODW-MRXNPFEDSA-N 1 2 327.453 3.048 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC2(CC1)C[N@H+](C[C@@H](F)CC)CCO2 ZINC000949433126 1333846111 /nfs/dbraw/zinc/84/61/11/1333846111.db2.gz CPTJVMMRQHNUDE-INIZCTEOSA-N 1 2 340.483 3.030 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC2(CC1)C[N@@H+](C[C@@H](F)CC)CCO2 ZINC000949433126 1333846112 /nfs/dbraw/zinc/84/61/12/1333846112.db2.gz CPTJVMMRQHNUDE-INIZCTEOSA-N 1 2 340.483 3.030 20 30 EGEDLO C#Cc1ccc(C(=O)N2CC[NH+](Cc3cc(F)ccc3C)CC2)cc1 ZINC000949593800 1333880707 /nfs/dbraw/zinc/88/07/07/1333880707.db2.gz OERYFISWKPJCKC-UHFFFAOYSA-N 1 2 336.410 3.073 20 30 EGEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)C[C@H]3CCCC3(F)F)CC2)c1 ZINC000949852253 1333943862 /nfs/dbraw/zinc/94/38/62/1333943862.db2.gz HIGDNWAPSOKFFD-QGZVFWFLSA-N 1 2 347.409 3.028 20 30 EGEDLO C=C1CCC(C(=O)N2CC[NH+](Cc3cccc(OC)c3C)CC2)CC1 ZINC000950047430 1334001907 /nfs/dbraw/zinc/00/19/07/1334001907.db2.gz WKZPZTNEIJTVEB-UHFFFAOYSA-N 1 2 342.483 3.394 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](C[C@H](O)c2ccc(CC)cc2)CC1 ZINC000950051717 1334003634 /nfs/dbraw/zinc/00/36/34/1334003634.db2.gz RYWQPTFBAXKTHE-FPOVZHCZSA-N 1 2 344.499 3.029 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C)nc2C2CC2)C1 ZINC000967496968 1335759128 /nfs/dbraw/zinc/75/91/28/1335759128.db2.gz NDMISDKJBIJILD-YVEFUNNKSA-N 1 2 347.890 3.460 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C)nc2C2CC2)C1 ZINC000967496968 1335759129 /nfs/dbraw/zinc/75/91/29/1335759129.db2.gz NDMISDKJBIJILD-YVEFUNNKSA-N 1 2 347.890 3.460 20 30 EGEDLO Cc1coc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)CC[C@@H]2C)c1 ZINC000967894233 1335825922 /nfs/dbraw/zinc/82/59/22/1335825922.db2.gz IJHOBBWNWUCTHC-XJKSGUPXSA-N 1 2 343.452 3.162 20 30 EGEDLO Cc1coc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)CC[C@@H]2C)c1 ZINC000967894233 1335825925 /nfs/dbraw/zinc/82/59/25/1335825925.db2.gz IJHOBBWNWUCTHC-XJKSGUPXSA-N 1 2 343.452 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000968334114 1335892981 /nfs/dbraw/zinc/89/29/81/1335892981.db2.gz GOITYCJZRFKIPB-LKFCYVNXSA-N 1 2 346.780 3.297 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000968334114 1335892983 /nfs/dbraw/zinc/89/29/83/1335892983.db2.gz GOITYCJZRFKIPB-LKFCYVNXSA-N 1 2 346.780 3.297 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc3c(C)cccn3c2)C1 ZINC000968540488 1335956794 /nfs/dbraw/zinc/95/67/94/1335956794.db2.gz VOBHDDPBWLVUDO-SUMWQHHRSA-N 1 2 345.874 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc3c(C)cccn3c2)C1 ZINC000968540488 1335956796 /nfs/dbraw/zinc/95/67/96/1335956796.db2.gz VOBHDDPBWLVUDO-SUMWQHHRSA-N 1 2 345.874 3.440 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2Cc2ccon2)CC1 ZINC000969011218 1336118015 /nfs/dbraw/zinc/11/80/15/1336118015.db2.gz NOZZCMHGFCMWRV-SFHVURJKSA-N 1 2 331.460 3.282 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2Cc2ccon2)CC1 ZINC000969011218 1336118017 /nfs/dbraw/zinc/11/80/17/1336118017.db2.gz NOZZCMHGFCMWRV-SFHVURJKSA-N 1 2 331.460 3.282 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(OCC)c(C)c2)C1 ZINC000970518738 1336315717 /nfs/dbraw/zinc/31/57/17/1336315717.db2.gz OKYHPUSWHLEQFZ-CQSZACIVSA-N 1 2 336.863 3.196 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2CC[NH+](Cc3csc(CC)n3)CC2)C1 ZINC001005970292 1336432426 /nfs/dbraw/zinc/43/24/26/1336432426.db2.gz UGLQLFDMUBZURJ-UHFFFAOYSA-N 1 2 347.528 3.485 20 30 EGEDLO C[C@H](C(=O)N[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)C1CC1 ZINC001007038838 1336630133 /nfs/dbraw/zinc/63/01/33/1336630133.db2.gz XFPGSJYBTIYHCX-KXBFYZLASA-N 1 2 344.886 3.318 20 30 EGEDLO C[C@H](C(=O)N[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)C1CC1 ZINC001007038838 1336630137 /nfs/dbraw/zinc/63/01/37/1336630137.db2.gz XFPGSJYBTIYHCX-KXBFYZLASA-N 1 2 344.886 3.318 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001007635866 1336681710 /nfs/dbraw/zinc/68/17/10/1336681710.db2.gz JOEXETVPVRDWEL-MOPGFXCFSA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001007635866 1336681712 /nfs/dbraw/zinc/68/17/12/1336681712.db2.gz JOEXETVPVRDWEL-MOPGFXCFSA-N 1 2 337.467 3.219 20 30 EGEDLO CC1(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)CCCC1 ZINC001008108604 1336771234 /nfs/dbraw/zinc/77/12/34/1336771234.db2.gz LMQBMXYQQZFHDK-SFHVURJKSA-N 1 2 325.456 3.219 20 30 EGEDLO CC1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)CCCC1 ZINC001008108604 1336771236 /nfs/dbraw/zinc/77/12/36/1336771236.db2.gz LMQBMXYQQZFHDK-SFHVURJKSA-N 1 2 325.456 3.219 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3cc(O)ccc3Cl)C2)C1 ZINC001008466851 1336864147 /nfs/dbraw/zinc/86/41/47/1336864147.db2.gz ZQVZTVAOABBBIS-HNNXBMFYSA-N 1 2 348.874 3.483 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(O)ccc3Cl)C2)C1 ZINC001008466851 1336864151 /nfs/dbraw/zinc/86/41/51/1336864151.db2.gz ZQVZTVAOABBBIS-HNNXBMFYSA-N 1 2 348.874 3.483 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C1 ZINC001008814828 1336929417 /nfs/dbraw/zinc/92/94/17/1336929417.db2.gz OADPFLIWGJFLSJ-BPQIPLTHSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C1 ZINC001008814828 1336929418 /nfs/dbraw/zinc/92/94/18/1336929418.db2.gz OADPFLIWGJFLSJ-BPQIPLTHSA-N 1 2 348.874 3.132 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)C3(F)CCCCC3)C2)s1 ZINC001009099667 1336969743 /nfs/dbraw/zinc/96/97/43/1336969743.db2.gz YUIWCOAMGNVEHF-AWEZNQCLSA-N 1 2 349.475 3.373 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)C3(F)CCCCC3)C2)s1 ZINC001009099667 1336969744 /nfs/dbraw/zinc/96/97/44/1336969744.db2.gz YUIWCOAMGNVEHF-AWEZNQCLSA-N 1 2 349.475 3.373 20 30 EGEDLO C=CCOc1ccc(CC(=O)N[C@@H]2CCC[N@@H+](CC(=C)Cl)C2)cc1 ZINC001009653879 1337053508 /nfs/dbraw/zinc/05/35/08/1337053508.db2.gz ZREKEFTWRMWAFL-QGZVFWFLSA-N 1 2 348.874 3.127 20 30 EGEDLO C=CCOc1ccc(CC(=O)N[C@@H]2CCC[N@H+](CC(=C)Cl)C2)cc1 ZINC001009653879 1337053511 /nfs/dbraw/zinc/05/35/11/1337053511.db2.gz ZREKEFTWRMWAFL-QGZVFWFLSA-N 1 2 348.874 3.127 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)s1 ZINC001009957939 1337122725 /nfs/dbraw/zinc/12/27/25/1337122725.db2.gz LYZYYPYZSJWDRT-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)s1 ZINC001009957939 1337122727 /nfs/dbraw/zinc/12/27/27/1337122727.db2.gz LYZYYPYZSJWDRT-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1csc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)c1 ZINC001014374621 1337757592 /nfs/dbraw/zinc/75/75/92/1337757592.db2.gz HRFMZERIKSNESL-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1csc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)c1 ZINC001014374621 1337757595 /nfs/dbraw/zinc/75/75/95/1337757595.db2.gz HRFMZERIKSNESL-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001014441477 1337778908 /nfs/dbraw/zinc/77/89/08/1337778908.db2.gz SLKAOKHUXZZESG-VQIMIIECSA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001014441477 1337778910 /nfs/dbraw/zinc/77/89/10/1337778910.db2.gz SLKAOKHUXZZESG-VQIMIIECSA-N 1 2 337.467 3.219 20 30 EGEDLO CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001014495188 1337798890 /nfs/dbraw/zinc/79/88/90/1337798890.db2.gz RHGLWZAFSIGYOL-GBESFXJTSA-N 1 2 339.483 3.321 20 30 EGEDLO CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001014495188 1337798895 /nfs/dbraw/zinc/79/88/95/1337798895.db2.gz RHGLWZAFSIGYOL-GBESFXJTSA-N 1 2 339.483 3.321 20 30 EGEDLO Cc1c(F)cccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001014540474 1337814541 /nfs/dbraw/zinc/81/45/41/1337814541.db2.gz NWXIBURORUYJKC-KRWDZBQOSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1c(F)cccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001014540474 1337814543 /nfs/dbraw/zinc/81/45/43/1337814543.db2.gz NWXIBURORUYJKC-KRWDZBQOSA-N 1 2 337.398 3.010 20 30 EGEDLO C[C@]1(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)CC=CCC1 ZINC001014565219 1337826710 /nfs/dbraw/zinc/82/67/10/1337826710.db2.gz SMJFWQIRPGICEH-CTNGQTDRSA-N 1 2 340.442 3.114 20 30 EGEDLO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)CC=CCC1 ZINC001014565219 1337826712 /nfs/dbraw/zinc/82/67/12/1337826712.db2.gz SMJFWQIRPGICEH-CTNGQTDRSA-N 1 2 340.442 3.114 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001015369688 1338114980 /nfs/dbraw/zinc/11/49/80/1338114980.db2.gz WTWXAGZKCAIOEL-JOCLIGHLSA-N 1 2 337.467 3.075 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001015369688 1338114983 /nfs/dbraw/zinc/11/49/83/1338114983.db2.gz WTWXAGZKCAIOEL-JOCLIGHLSA-N 1 2 337.467 3.075 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001015394484 1338122700 /nfs/dbraw/zinc/12/27/00/1338122700.db2.gz WXGQEMDAEVZLAO-IRXDYDNUSA-N 1 2 347.409 3.074 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001015394484 1338122703 /nfs/dbraw/zinc/12/27/03/1338122703.db2.gz WXGQEMDAEVZLAO-IRXDYDNUSA-N 1 2 347.409 3.074 20 30 EGEDLO Cc1cocc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001015524651 1338167077 /nfs/dbraw/zinc/16/70/77/1338167077.db2.gz VUVBBMGOVKJTNH-QGZVFWFLSA-N 1 2 342.826 3.097 20 30 EGEDLO Cc1cocc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001015524651 1338167078 /nfs/dbraw/zinc/16/70/78/1338167078.db2.gz VUVBBMGOVKJTNH-QGZVFWFLSA-N 1 2 342.826 3.097 20 30 EGEDLO CC1(C)CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001015558723 1338180272 /nfs/dbraw/zinc/18/02/72/1338180272.db2.gz VLWORQGGXKNWDN-IRXDYDNUSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001015558723 1338180273 /nfs/dbraw/zinc/18/02/73/1338180273.db2.gz VLWORQGGXKNWDN-IRXDYDNUSA-N 1 2 343.446 3.214 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)ccc1F ZINC001015637839 1338222796 /nfs/dbraw/zinc/22/27/96/1338222796.db2.gz RGUBKTBSYCAUCS-GOSISDBHSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)ccc1F ZINC001015637839 1338222798 /nfs/dbraw/zinc/22/27/98/1338222798.db2.gz RGUBKTBSYCAUCS-GOSISDBHSA-N 1 2 337.398 3.010 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nc4ccc(F)cc4o3)C2)C1 ZINC001015671793 1338249172 /nfs/dbraw/zinc/24/91/72/1338249172.db2.gz FCUXOVPJJIOXJJ-AWEZNQCLSA-N 1 2 343.402 3.014 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nc4ccc(F)cc4o3)C2)C1 ZINC001015671793 1338249174 /nfs/dbraw/zinc/24/91/74/1338249174.db2.gz FCUXOVPJJIOXJJ-AWEZNQCLSA-N 1 2 343.402 3.014 20 30 EGEDLO C=Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1 ZINC001015739750 1338281260 /nfs/dbraw/zinc/28/12/60/1338281260.db2.gz HIGXUSZPBCJQDI-FQEVSTJZSA-N 1 2 331.419 3.206 20 30 EGEDLO C=Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cc1 ZINC001015739750 1338281263 /nfs/dbraw/zinc/28/12/63/1338281263.db2.gz HIGXUSZPBCJQDI-FQEVSTJZSA-N 1 2 331.419 3.206 20 30 EGEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1csc(Cl)c1 ZINC001015793308 1338313112 /nfs/dbraw/zinc/31/31/12/1338313112.db2.gz SAHCUCZPSPZAST-MRXNPFEDSA-N 1 2 344.867 3.257 20 30 EGEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1csc(Cl)c1 ZINC001015793308 1338313117 /nfs/dbraw/zinc/31/31/17/1338313117.db2.gz SAHCUCZPSPZAST-MRXNPFEDSA-N 1 2 344.867 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cccc3sccc32)C1 ZINC001015795875 1338315523 /nfs/dbraw/zinc/31/55/23/1338315523.db2.gz YUVGTGMQEQKNNV-AWEZNQCLSA-N 1 2 334.872 3.387 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cccc3sccc32)C1 ZINC001015795875 1338315527 /nfs/dbraw/zinc/31/55/27/1338315527.db2.gz YUVGTGMQEQKNNV-AWEZNQCLSA-N 1 2 334.872 3.387 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)C1 ZINC001015808569 1338320761 /nfs/dbraw/zinc/32/07/61/1338320761.db2.gz ATNWKZFMJFYCJG-OKZBNKHCSA-N 1 2 332.875 3.350 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)C1 ZINC001015808569 1338320765 /nfs/dbraw/zinc/32/07/65/1338320765.db2.gz ATNWKZFMJFYCJG-OKZBNKHCSA-N 1 2 332.875 3.350 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2[nH]ccc2-c2ccccc2)C1 ZINC001015982376 1338391333 /nfs/dbraw/zinc/39/13/33/1338391333.db2.gz DVNGHYNNYLQKBV-HNNXBMFYSA-N 1 2 329.831 3.238 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2[nH]ccc2-c2ccccc2)C1 ZINC001015982376 1338391335 /nfs/dbraw/zinc/39/13/35/1338391335.db2.gz DVNGHYNNYLQKBV-HNNXBMFYSA-N 1 2 329.831 3.238 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)cc1 ZINC001016077385 1338448310 /nfs/dbraw/zinc/44/83/10/1338448310.db2.gz PUDBWMQEYGUFQD-GOSISDBHSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)cc1 ZINC001016077385 1338448313 /nfs/dbraw/zinc/44/83/13/1338448313.db2.gz PUDBWMQEYGUFQD-GOSISDBHSA-N 1 2 337.398 3.010 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC001017792521 1339422372 /nfs/dbraw/zinc/42/23/72/1339422372.db2.gz RRZKNKMEXKFHRT-CALCHBBNSA-N 1 2 335.451 3.097 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC001017792521 1339422373 /nfs/dbraw/zinc/42/23/73/1339422373.db2.gz RRZKNKMEXKFHRT-CALCHBBNSA-N 1 2 335.451 3.097 20 30 EGEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)c2occc21 ZINC001018167486 1339520652 /nfs/dbraw/zinc/52/06/52/1339520652.db2.gz VZCSMCMNVFUBPN-BETUJISGSA-N 1 2 328.799 3.008 20 30 EGEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)c2occc21 ZINC001018167486 1339520654 /nfs/dbraw/zinc/52/06/54/1339520654.db2.gz VZCSMCMNVFUBPN-BETUJISGSA-N 1 2 328.799 3.008 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(Cl)cccc1Cl ZINC001018211468 1339534391 /nfs/dbraw/zinc/53/43/91/1339534391.db2.gz GAHNEAKABFOUIH-BETUJISGSA-N 1 2 337.250 3.306 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(Cl)cccc1Cl ZINC001018211468 1339534396 /nfs/dbraw/zinc/53/43/96/1339534396.db2.gz GAHNEAKABFOUIH-BETUJISGSA-N 1 2 337.250 3.306 20 30 EGEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc2ccc(Cl)cc12 ZINC001018225170 1339539529 /nfs/dbraw/zinc/53/95/29/1339539529.db2.gz YUGDUJWSYQMYJR-OKILXGFUSA-N 1 2 328.799 3.008 20 30 EGEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc2ccc(Cl)cc12 ZINC001018225170 1339539531 /nfs/dbraw/zinc/53/95/31/1339539531.db2.gz YUGDUJWSYQMYJR-OKILXGFUSA-N 1 2 328.799 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001028083179 1340415040 /nfs/dbraw/zinc/41/50/40/1340415040.db2.gz QVKYOQDZQQSQBP-AWEZNQCLSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001028083179 1340415043 /nfs/dbraw/zinc/41/50/43/1340415043.db2.gz QVKYOQDZQQSQBP-AWEZNQCLSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc2cc(OC)ccc2[nH]1 ZINC001028110459 1340432328 /nfs/dbraw/zinc/43/23/28/1340432328.db2.gz SADDQGRTCUFVDX-CQSZACIVSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2cc(OC)ccc2[nH]1 ZINC001028110459 1340432331 /nfs/dbraw/zinc/43/23/31/1340432331.db2.gz SADDQGRTCUFVDX-CQSZACIVSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)c(F)c1 ZINC001028159865 1340458755 /nfs/dbraw/zinc/45/87/55/1340458755.db2.gz KPBJLXOUKSCVAL-GFCCVEGCSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)c(F)c1 ZINC001028159865 1340458756 /nfs/dbraw/zinc/45/87/56/1340458756.db2.gz KPBJLXOUKSCVAL-GFCCVEGCSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)c2c1CCC2 ZINC001028339167 1340575970 /nfs/dbraw/zinc/57/59/70/1340575970.db2.gz PPLMRVZLJFIWND-OAHLLOKOSA-N 1 2 332.875 3.430 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)c2c1CCC2 ZINC001028339167 1340575973 /nfs/dbraw/zinc/57/59/73/1340575973.db2.gz PPLMRVZLJFIWND-OAHLLOKOSA-N 1 2 332.875 3.430 20 30 EGEDLO Cc1ccccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001029195733 1340952565 /nfs/dbraw/zinc/95/25/65/1340952565.db2.gz ZPVXDOPNXYSHHW-BGYRXZFFSA-N 1 2 345.446 3.356 20 30 EGEDLO Cc1ccccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001029195733 1340952566 /nfs/dbraw/zinc/95/25/66/1340952566.db2.gz ZPVXDOPNXYSHHW-BGYRXZFFSA-N 1 2 345.446 3.356 20 30 EGEDLO CC[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029218799 1340957188 /nfs/dbraw/zinc/95/71/88/1340957188.db2.gz CXBDONVATHJLPU-ZYSHUDEJSA-N 1 2 344.886 3.413 20 30 EGEDLO CC[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029218799 1340957189 /nfs/dbraw/zinc/95/71/89/1340957189.db2.gz CXBDONVATHJLPU-ZYSHUDEJSA-N 1 2 344.886 3.413 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029432790 1340989356 /nfs/dbraw/zinc/98/93/56/1340989356.db2.gz MCLZKHSGDXCHDX-HSALFYBXSA-N 1 2 336.479 3.150 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029432790 1340989357 /nfs/dbraw/zinc/98/93/57/1340989357.db2.gz MCLZKHSGDXCHDX-HSALFYBXSA-N 1 2 336.479 3.150 20 30 EGEDLO CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(F)c(C#N)c2)CC1 ZINC001029458367 1340995044 /nfs/dbraw/zinc/99/50/44/1340995044.db2.gz NEHQKFGSWOVJAP-CALCHBBNSA-N 1 2 341.430 3.063 20 30 EGEDLO CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(F)c(C#N)c2)CC1 ZINC001029458367 1340995045 /nfs/dbraw/zinc/99/50/45/1340995045.db2.gz NEHQKFGSWOVJAP-CALCHBBNSA-N 1 2 341.430 3.063 20 30 EGEDLO CC(C)C1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)CC1 ZINC001029465744 1340996844 /nfs/dbraw/zinc/99/68/44/1340996844.db2.gz SNUFUBMJVGUBJB-BGYRXZFFSA-N 1 2 336.479 3.150 20 30 EGEDLO CC(C)C1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)CC1 ZINC001029465744 1340996845 /nfs/dbraw/zinc/99/68/45/1340996845.db2.gz SNUFUBMJVGUBJB-BGYRXZFFSA-N 1 2 336.479 3.150 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(F)cc1 ZINC001029499367 1341001158 /nfs/dbraw/zinc/00/11/58/1341001158.db2.gz GVCHFSMJDZJICZ-AHRSYUTCSA-N 1 2 342.458 3.145 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001029499367 1341001159 /nfs/dbraw/zinc/00/11/59/1341001159.db2.gz GVCHFSMJDZJICZ-AHRSYUTCSA-N 1 2 342.458 3.145 20 30 EGEDLO N#Cc1c[nH]c(C(=O)NC2C[NH+](Cc3ccc(C4CCCC4)cc3)C2)c1 ZINC001030195720 1341171179 /nfs/dbraw/zinc/17/11/79/1341171179.db2.gz GZOFKNRJDDKSKP-UHFFFAOYSA-N 1 2 348.450 3.158 20 30 EGEDLO C#Cc1ccc(C(=O)NC2C[NH+]([C@@H](C)c3ccc(C(C)C)cc3)C2)nc1 ZINC001031278055 1341309454 /nfs/dbraw/zinc/30/94/54/1341309454.db2.gz BASANMAREFBYNL-INIZCTEOSA-N 1 2 347.462 3.362 20 30 EGEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2ccc3occc3c2)C1 ZINC001031690424 1341388688 /nfs/dbraw/zinc/38/86/88/1341388688.db2.gz FQMDWHFJOODDPU-UHFFFAOYSA-N 1 2 345.402 3.166 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cccc3c2CCCCC3)C1 ZINC001031753318 1341396763 /nfs/dbraw/zinc/39/67/63/1341396763.db2.gz IQUZTSAFQUEOBC-UHFFFAOYSA-N 1 2 332.875 3.370 20 30 EGEDLO CC1(C)CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031906138 1341418814 /nfs/dbraw/zinc/41/88/14/1341418814.db2.gz FWLHPAYILFGQQY-QGZVFWFLSA-N 1 2 343.446 3.072 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C\Cl)C2 ZINC001072944384 1355512270 /nfs/dbraw/zinc/51/22/70/1355512270.db2.gz AXCUZJUXHQKFQY-XETPBLJFSA-N 1 2 331.287 3.442 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+](C/C(Cl)=C\Cl)C2 ZINC001072944384 1355512274 /nfs/dbraw/zinc/51/22/74/1355512274.db2.gz AXCUZJUXHQKFQY-XETPBLJFSA-N 1 2 331.287 3.442 20 30 EGEDLO Cc1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)sc1C ZINC001032173374 1341468090 /nfs/dbraw/zinc/46/80/90/1341468090.db2.gz BCKAREFXWVMMSK-UHFFFAOYSA-N 1 2 345.493 3.160 20 30 EGEDLO Cc1cccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)c1C ZINC001032761243 1341604927 /nfs/dbraw/zinc/60/49/27/1341604927.db2.gz LIFNYUFLNQOMAU-PMACEKPBSA-N 1 2 345.446 3.274 20 30 EGEDLO Cc1cccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)c1C ZINC001032761243 1341604928 /nfs/dbraw/zinc/60/49/28/1341604928.db2.gz LIFNYUFLNQOMAU-PMACEKPBSA-N 1 2 345.446 3.274 20 30 EGEDLO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c(C)o1 ZINC001032901186 1341657419 /nfs/dbraw/zinc/65/74/19/1341657419.db2.gz OGNRLMQUMXPACL-GOSISDBHSA-N 1 2 337.423 3.115 20 30 EGEDLO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c(C)o1 ZINC001032901186 1341657422 /nfs/dbraw/zinc/65/74/22/1341657422.db2.gz OGNRLMQUMXPACL-GOSISDBHSA-N 1 2 337.423 3.115 20 30 EGEDLO CN(C(=O)[C@H]1CC=CCC1)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032900976 1341657510 /nfs/dbraw/zinc/65/75/10/1341657510.db2.gz MHWMEZZIRNNGFG-KXBFYZLASA-N 1 2 341.430 3.086 20 30 EGEDLO CN(C(=O)[C@H]1CC=CCC1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032900976 1341657512 /nfs/dbraw/zinc/65/75/12/1341657512.db2.gz MHWMEZZIRNNGFG-KXBFYZLASA-N 1 2 341.430 3.086 20 30 EGEDLO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c(C)o1 ZINC001032901187 1341657750 /nfs/dbraw/zinc/65/77/50/1341657750.db2.gz OGNRLMQUMXPACL-SFHVURJKSA-N 1 2 337.423 3.115 20 30 EGEDLO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c(C)o1 ZINC001032901187 1341657753 /nfs/dbraw/zinc/65/77/53/1341657753.db2.gz OGNRLMQUMXPACL-SFHVURJKSA-N 1 2 337.423 3.115 20 30 EGEDLO CN(C(=O)C1(C)CC1)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033098445 1341722183 /nfs/dbraw/zinc/72/21/83/1341722183.db2.gz JWFVOXAVAOZRHI-MRXNPFEDSA-N 1 2 330.859 3.024 20 30 EGEDLO CN(C(=O)C1(C)CC1)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033098445 1341722185 /nfs/dbraw/zinc/72/21/85/1341722185.db2.gz JWFVOXAVAOZRHI-MRXNPFEDSA-N 1 2 330.859 3.024 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)nc2C(C)C)C1 ZINC001033312147 1341777615 /nfs/dbraw/zinc/77/76/15/1341777615.db2.gz MPELDUAJXMJHNT-OAHLLOKOSA-N 1 2 335.879 3.412 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)nc2C(C)C)C1 ZINC001033312147 1341777616 /nfs/dbraw/zinc/77/76/16/1341777616.db2.gz MPELDUAJXMJHNT-OAHLLOKOSA-N 1 2 335.879 3.412 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2c(Cl)cncc2Cl)C1 ZINC001033383342 1341805271 /nfs/dbraw/zinc/80/52/71/1341805271.db2.gz LFKFUUSREIIPAO-JTQLQIEISA-N 1 2 348.661 3.287 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2c(Cl)cncc2Cl)C1 ZINC001033383342 1341805272 /nfs/dbraw/zinc/80/52/72/1341805272.db2.gz LFKFUUSREIIPAO-JTQLQIEISA-N 1 2 348.661 3.287 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001033403817 1341815775 /nfs/dbraw/zinc/81/57/75/1341815775.db2.gz YLJDRXDXTSOTEH-IJEWVQPXSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001033403817 1341815776 /nfs/dbraw/zinc/81/57/76/1341815776.db2.gz YLJDRXDXTSOTEH-IJEWVQPXSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001033499580 1341847434 /nfs/dbraw/zinc/84/74/34/1341847434.db2.gz LBIUJFFGFCTBCL-BPQIPLTHSA-N 1 2 332.875 3.384 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001033499580 1341847435 /nfs/dbraw/zinc/84/74/35/1341847435.db2.gz LBIUJFFGFCTBCL-BPQIPLTHSA-N 1 2 332.875 3.384 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc3c(o2)CCCC3)C1 ZINC001033853660 1342045361 /nfs/dbraw/zinc/04/53/61/1342045361.db2.gz IMKADFJMGOORQD-HNNXBMFYSA-N 1 2 336.863 3.447 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc3c(o2)CCCC3)C1 ZINC001033853660 1342045364 /nfs/dbraw/zinc/04/53/64/1342045364.db2.gz IMKADFJMGOORQD-HNNXBMFYSA-N 1 2 336.863 3.447 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(C(C)C)nc2)C1 ZINC001033853772 1342045788 /nfs/dbraw/zinc/04/57/88/1342045788.db2.gz CQKCWVZUACVOGQ-INIZCTEOSA-N 1 2 335.879 3.494 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C(C)C)nc2)C1 ZINC001033853772 1342045790 /nfs/dbraw/zinc/04/57/90/1342045790.db2.gz CQKCWVZUACVOGQ-INIZCTEOSA-N 1 2 335.879 3.494 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001075094653 1356301321 /nfs/dbraw/zinc/30/13/21/1356301321.db2.gz BQDZGAJPLFZLRW-NVXWUHKLSA-N 1 2 343.471 3.082 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3cccnc32)C1 ZINC001033932485 1342097047 /nfs/dbraw/zinc/09/70/47/1342097047.db2.gz OTQLVGOYTJYNHM-SJORKVTESA-N 1 2 347.890 3.177 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3cccnc32)C1 ZINC001033932485 1342097053 /nfs/dbraw/zinc/09/70/53/1342097053.db2.gz OTQLVGOYTJYNHM-SJORKVTESA-N 1 2 347.890 3.177 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@H+](Cc3nccn3CC)C2)CC1 ZINC001033945634 1342106566 /nfs/dbraw/zinc/10/65/66/1342106566.db2.gz OOFODKPBLINARE-SFHVURJKSA-N 1 2 344.503 3.072 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](Cc3nccn3CC)C2)CC1 ZINC001033945634 1342106568 /nfs/dbraw/zinc/10/65/68/1342106568.db2.gz OOFODKPBLINARE-SFHVURJKSA-N 1 2 344.503 3.072 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@@H+]([C@H](C)c3nc(C)no3)C2)CC1 ZINC001033950181 1342109047 /nfs/dbraw/zinc/10/90/47/1342109047.db2.gz MMHGXIKMVIZMEL-PBHICJAKSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@H+]([C@H](C)c3nc(C)no3)C2)CC1 ZINC001033950181 1342109050 /nfs/dbraw/zinc/10/90/50/1342109050.db2.gz MMHGXIKMVIZMEL-PBHICJAKSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC23CCC3)C1 ZINC001033968515 1342119816 /nfs/dbraw/zinc/11/98/16/1342119816.db2.gz NQLCSLXUTPUNIF-UONOGXRCSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cccc3cc[nH]c32)C1 ZINC001033964374 1342116781 /nfs/dbraw/zinc/11/67/81/1342116781.db2.gz SRQCVCDLTMRNCD-HNNXBMFYSA-N 1 2 331.847 3.457 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc3cc[nH]c32)C1 ZINC001033964374 1342116782 /nfs/dbraw/zinc/11/67/82/1342116782.db2.gz SRQCVCDLTMRNCD-HNNXBMFYSA-N 1 2 331.847 3.457 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC23CCC3)C1 ZINC001033968515 1342119817 /nfs/dbraw/zinc/11/98/17/1342119817.db2.gz NQLCSLXUTPUNIF-UONOGXRCSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cccc3nc(C)[nH]c32)C1 ZINC001034020307 1342157930 /nfs/dbraw/zinc/15/79/30/1342157930.db2.gz ZBTKKCLZHXWSLH-AWEZNQCLSA-N 1 2 346.862 3.160 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc3nc(C)[nH]c32)C1 ZINC001034020307 1342157932 /nfs/dbraw/zinc/15/79/32/1342157932.db2.gz ZBTKKCLZHXWSLH-AWEZNQCLSA-N 1 2 346.862 3.160 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4ccccc4o3)[C@@H]2C1 ZINC001076532494 1356607831 /nfs/dbraw/zinc/60/78/31/1356607831.db2.gz AKNXSZIBRMGWAV-LSDHHAIUSA-N 1 2 330.815 3.332 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4ccccc4o3)[C@@H]2C1 ZINC001076532494 1356607833 /nfs/dbraw/zinc/60/78/33/1356607833.db2.gz AKNXSZIBRMGWAV-LSDHHAIUSA-N 1 2 330.815 3.332 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cccc3c2COCC3)C1 ZINC001034240435 1342341507 /nfs/dbraw/zinc/34/15/07/1342341507.db2.gz IKNSKQNFVOOHQL-MRXNPFEDSA-N 1 2 348.874 3.096 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cccc3c2COCC3)C1 ZINC001034240435 1342341511 /nfs/dbraw/zinc/34/15/11/1342341511.db2.gz IKNSKQNFVOOHQL-MRXNPFEDSA-N 1 2 348.874 3.096 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc3oc(C)nc3c2)C1 ZINC001034264752 1342356651 /nfs/dbraw/zinc/35/66/51/1342356651.db2.gz BGDYVSFECGNFRE-OAHLLOKOSA-N 1 2 347.846 3.473 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3oc(C)nc3c2)C1 ZINC001034264752 1342356653 /nfs/dbraw/zinc/35/66/53/1342356653.db2.gz BGDYVSFECGNFRE-OAHLLOKOSA-N 1 2 347.846 3.473 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C(C)(C)c2cc(C)ccn2)C1 ZINC001034272600 1342364012 /nfs/dbraw/zinc/36/40/12/1342364012.db2.gz NAUYMBQJSAXVIB-INIZCTEOSA-N 1 2 349.906 3.391 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)c2cc(C)ccn2)C1 ZINC001034272600 1342364014 /nfs/dbraw/zinc/36/40/14/1342364014.db2.gz NAUYMBQJSAXVIB-INIZCTEOSA-N 1 2 349.906 3.391 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001034286453 1342374495 /nfs/dbraw/zinc/37/44/95/1342374495.db2.gz QLMPYHGMOHLFBA-ZDUSSCGKSA-N 1 2 338.883 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001034286453 1342374498 /nfs/dbraw/zinc/37/44/98/1342374498.db2.gz QLMPYHGMOHLFBA-ZDUSSCGKSA-N 1 2 338.883 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cc(-c3ccco3)n[nH]2)C1 ZINC001034419379 1342481153 /nfs/dbraw/zinc/48/11/53/1342481153.db2.gz BNUPLOIUDLTXST-ZDUSSCGKSA-N 1 2 348.834 3.007 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cc(-c3ccco3)n[nH]2)C1 ZINC001034419379 1342481155 /nfs/dbraw/zinc/48/11/55/1342481155.db2.gz BNUPLOIUDLTXST-ZDUSSCGKSA-N 1 2 348.834 3.007 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2csc(Cl)n2)C1 ZINC001034475421 1342530600 /nfs/dbraw/zinc/53/06/00/1342530600.db2.gz YLPJUHQNTOSXPY-JTQLQIEISA-N 1 2 334.272 3.133 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2csc(Cl)n2)C1 ZINC001034475421 1342530607 /nfs/dbraw/zinc/53/06/07/1342530607.db2.gz YLPJUHQNTOSXPY-JTQLQIEISA-N 1 2 334.272 3.133 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccc(F)c(F)c1)CC2 ZINC001035723898 1343153414 /nfs/dbraw/zinc/15/34/14/1343153414.db2.gz MIDGQTMJKLKJOT-UHFFFAOYSA-N 1 2 340.801 3.255 20 30 EGEDLO C=CC[NH+]1CC2(C1)CCN(C(=O)c1cc(C3CCCCC3)[nH]n1)CC2 ZINC001035724434 1343154408 /nfs/dbraw/zinc/15/44/08/1343154408.db2.gz GRLCHMLLLLWIJE-UHFFFAOYSA-N 1 2 342.487 3.181 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cc[nH]c1CCC)CC2 ZINC001035772023 1343183750 /nfs/dbraw/zinc/18/37/50/1343183750.db2.gz LLYRBDPRTWQPMA-UHFFFAOYSA-N 1 2 335.879 3.258 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccc(OC)cc1C)CC2 ZINC001035782782 1343193477 /nfs/dbraw/zinc/19/34/77/1343193477.db2.gz JJMAJTMWVPGXRW-UHFFFAOYSA-N 1 2 348.874 3.294 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038162053 1344307427 /nfs/dbraw/zinc/30/74/27/1344307427.db2.gz AJDHTOJCVMPWSD-LRDDRELGSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038162053 1344307428 /nfs/dbraw/zinc/30/74/28/1344307428.db2.gz AJDHTOJCVMPWSD-LRDDRELGSA-N 1 2 342.830 3.105 20 30 EGEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1CCC=CCCC1 ZINC001038403881 1344413308 /nfs/dbraw/zinc/41/33/08/1344413308.db2.gz WFWQGZVODCUQJW-SFTDATJTSA-N 1 2 336.479 3.365 20 30 EGEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1CCC=CCCC1 ZINC001038403881 1344413310 /nfs/dbraw/zinc/41/33/10/1344413310.db2.gz WFWQGZVODCUQJW-SFTDATJTSA-N 1 2 336.479 3.365 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2CCC=CCCC2)s1 ZINC001038404155 1344413401 /nfs/dbraw/zinc/41/34/01/1344413401.db2.gz YFXFKOQOUZFLSX-HOTGVXAUSA-N 1 2 343.496 3.447 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2CCC=CCCC2)s1 ZINC001038404155 1344413405 /nfs/dbraw/zinc/41/34/05/1344413405.db2.gz YFXFKOQOUZFLSX-HOTGVXAUSA-N 1 2 343.496 3.447 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2Cl)cc1 ZINC001038581530 1344492860 /nfs/dbraw/zinc/49/28/60/1344492860.db2.gz JVHXNMAIQJLPQD-SFHVURJKSA-N 1 2 338.838 3.326 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2Cl)cc1 ZINC001038581530 1344492864 /nfs/dbraw/zinc/49/28/64/1344492864.db2.gz JVHXNMAIQJLPQD-SFHVURJKSA-N 1 2 338.838 3.326 20 30 EGEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)c1ccc(C2CC2)cc1 ZINC001039038405 1344726850 /nfs/dbraw/zinc/72/68/50/1344726850.db2.gz CHAFQFIMWDHEEH-QFIPXVFZSA-N 1 2 344.458 3.420 20 30 EGEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)c1ccc(C2CC2)cc1 ZINC001039038405 1344726853 /nfs/dbraw/zinc/72/68/53/1344726853.db2.gz CHAFQFIMWDHEEH-QFIPXVFZSA-N 1 2 344.458 3.420 20 30 EGEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1CC2CCC1CC2 ZINC001039048942 1344734176 /nfs/dbraw/zinc/73/41/76/1344734176.db2.gz LAKISQYBOYKSHJ-VFUGHAIPSA-N 1 2 336.479 3.055 20 30 EGEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1CC2CCC1CC2 ZINC001039048942 1344734177 /nfs/dbraw/zinc/73/41/77/1344734177.db2.gz LAKISQYBOYKSHJ-VFUGHAIPSA-N 1 2 336.479 3.055 20 30 EGEDLO Cc1cccc(F)c1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001039089147 1344762352 /nfs/dbraw/zinc/76/23/52/1344762352.db2.gz WMGYUAOCYZSXRT-QGZVFWFLSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cccc(F)c1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001039089147 1344762353 /nfs/dbraw/zinc/76/23/53/1344762353.db2.gz WMGYUAOCYZSXRT-QGZVFWFLSA-N 1 2 337.398 3.010 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCCCO1 ZINC001039444847 1345069865 /nfs/dbraw/zinc/06/98/65/1345069865.db2.gz VMEQDRFOKCYPEF-IKGGRYGDSA-N 1 2 340.895 3.154 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCCCO1 ZINC001039444847 1345069869 /nfs/dbraw/zinc/06/98/69/1345069869.db2.gz VMEQDRFOKCYPEF-IKGGRYGDSA-N 1 2 340.895 3.154 20 30 EGEDLO C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3C/C=C\Cl)cc1 ZINC001039817298 1345198488 /nfs/dbraw/zinc/19/84/88/1345198488.db2.gz VIOJWEWSXSLIHX-ISUVNWMFSA-N 1 2 328.843 3.099 20 30 EGEDLO C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3C/C=C\Cl)cc1 ZINC001039817298 1345198492 /nfs/dbraw/zinc/19/84/92/1345198492.db2.gz VIOJWEWSXSLIHX-ISUVNWMFSA-N 1 2 328.843 3.099 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccnc1 ZINC001039894912 1345237829 /nfs/dbraw/zinc/23/78/29/1345237829.db2.gz FLJVSEMWUGGWCS-NSHGMRRFSA-N 1 2 327.472 3.249 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccnc1 ZINC001039894912 1345237833 /nfs/dbraw/zinc/23/78/33/1345237833.db2.gz FLJVSEMWUGGWCS-NSHGMRRFSA-N 1 2 327.472 3.249 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2c(C)noc2C)C1 ZINC001039906331 1345243730 /nfs/dbraw/zinc/24/37/30/1345243730.db2.gz LEYZGZKOKWSUHV-CALCHBBNSA-N 1 2 343.471 3.213 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2c(C)noc2C)C1 ZINC001039906331 1345243731 /nfs/dbraw/zinc/24/37/31/1345243731.db2.gz LEYZGZKOKWSUHV-CALCHBBNSA-N 1 2 343.471 3.213 20 30 EGEDLO O=C(C#CC1CC1)N1CC[C@@]2(C1)CCC[N@@H+](C/C(Cl)=C\Cl)C2 ZINC001040199056 1345373014 /nfs/dbraw/zinc/37/30/14/1345373014.db2.gz YLBYQTBDCULANC-OBHPCNEJSA-N 1 2 341.282 3.033 20 30 EGEDLO O=C(C#CC1CC1)N1CC[C@@]2(C1)CCC[N@H+](C/C(Cl)=C\Cl)C2 ZINC001040199056 1345373018 /nfs/dbraw/zinc/37/30/18/1345373018.db2.gz YLBYQTBDCULANC-OBHPCNEJSA-N 1 2 341.282 3.033 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](CNc2cc[nH+]c(C)n2)[C@H](C)C1 ZINC001040440407 1345501341 /nfs/dbraw/zinc/50/13/41/1345501341.db2.gz VKBWBKSTJHRNRH-ZBFHGGJFSA-N 1 2 330.476 3.284 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)C3(C)CCC3)C[C@@H]21 ZINC001042182271 1345970419 /nfs/dbraw/zinc/97/04/19/1345970419.db2.gz DKPADWRGJXZCKZ-KGLIPLIRSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3(C)CCC3)C[C@@H]21 ZINC001042182271 1345970420 /nfs/dbraw/zinc/97/04/20/1345970420.db2.gz DKPADWRGJXZCKZ-KGLIPLIRSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1C[NH2+]Cc1nc(CCCC)no1 ZINC001045185916 1346522505 /nfs/dbraw/zinc/52/25/05/1346522505.db2.gz PJLXCARZPDDUBO-KXBFYZLASA-N 1 2 348.491 3.095 20 30 EGEDLO C[C@]1(NC(=O)c2cccs2)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046113113 1346851939 /nfs/dbraw/zinc/85/19/39/1346851939.db2.gz CTSJMYMQHIYOPT-SFHVURJKSA-N 1 2 343.427 3.153 20 30 EGEDLO C[C@]1(NC(=O)c2cccs2)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046113113 1346851940 /nfs/dbraw/zinc/85/19/40/1346851940.db2.gz CTSJMYMQHIYOPT-SFHVURJKSA-N 1 2 343.427 3.153 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(C)n([C@@H](C)CC)n2)C1 ZINC001046432942 1346974112 /nfs/dbraw/zinc/97/41/12/1346974112.db2.gz SAYMWCLHTYTEMA-GUYCJALGSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(C)n([C@@H](C)CC)n2)C1 ZINC001046432942 1346974115 /nfs/dbraw/zinc/97/41/15/1346974115.db2.gz SAYMWCLHTYTEMA-GUYCJALGSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(C)n([C@@H](C)CC)n2)C1 ZINC001046432944 1346974233 /nfs/dbraw/zinc/97/42/33/1346974233.db2.gz SAYMWCLHTYTEMA-SUMWQHHRSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C)n([C@@H](C)CC)n2)C1 ZINC001046432944 1346974235 /nfs/dbraw/zinc/97/42/35/1346974235.db2.gz SAYMWCLHTYTEMA-SUMWQHHRSA-N 1 2 338.883 3.109 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](CC=C(Cl)Cl)C2)cc1 ZINC001046533901 1347006679 /nfs/dbraw/zinc/00/66/79/1347006679.db2.gz YFDVTKKFJNVNCM-QGZVFWFLSA-N 1 2 337.250 3.181 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](CC=C(Cl)Cl)C2)cc1 ZINC001046533901 1347006684 /nfs/dbraw/zinc/00/66/84/1347006684.db2.gz YFDVTKKFJNVNCM-QGZVFWFLSA-N 1 2 337.250 3.181 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046551655 1347012818 /nfs/dbraw/zinc/01/28/18/1347012818.db2.gz WJQQCZNVLDUJPW-XLIONFOSSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046551655 1347012820 /nfs/dbraw/zinc/01/28/20/1347012820.db2.gz WJQQCZNVLDUJPW-XLIONFOSSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(-c3c[nH]cn3)cc2)C1 ZINC001046746456 1347081202 /nfs/dbraw/zinc/08/12/02/1347081202.db2.gz KFSRCZKIZFPQKR-GOSISDBHSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(-c3c[nH]cn3)cc2)C1 ZINC001046746456 1347081206 /nfs/dbraw/zinc/08/12/06/1347081206.db2.gz KFSRCZKIZFPQKR-GOSISDBHSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2coc(-c3ccccc3)n2)C1 ZINC001046781974 1347097791 /nfs/dbraw/zinc/09/77/91/1347097791.db2.gz SSIOJVOHWSJOQE-SFHVURJKSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2coc(-c3ccccc3)n2)C1 ZINC001046781974 1347097793 /nfs/dbraw/zinc/09/77/93/1347097793.db2.gz SSIOJVOHWSJOQE-SFHVURJKSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccsc2C)C1 ZINC001046933459 1347156305 /nfs/dbraw/zinc/15/63/05/1347156305.db2.gz DKHUVTQBGOJKRZ-LBPRGKRZSA-N 1 2 348.846 3.496 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccsc2C)C1 ZINC001046933459 1347156308 /nfs/dbraw/zinc/15/63/08/1347156308.db2.gz DKHUVTQBGOJKRZ-LBPRGKRZSA-N 1 2 348.846 3.496 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2CC(C)(C)C2)C1 ZINC001046934797 1347156974 /nfs/dbraw/zinc/15/69/74/1347156974.db2.gz DAIRFSUFNWGCTJ-CYBMUJFWSA-N 1 2 334.838 3.249 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)C2CC(C)(C)C2)C1 ZINC001046934797 1347156976 /nfs/dbraw/zinc/15/69/76/1347156976.db2.gz DAIRFSUFNWGCTJ-CYBMUJFWSA-N 1 2 334.838 3.249 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CC(C)(C)C2)C1 ZINC001046934798 1347157103 /nfs/dbraw/zinc/15/71/03/1347157103.db2.gz DAIRFSUFNWGCTJ-ZDUSSCGKSA-N 1 2 334.838 3.249 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CC(C)(C)C2)C1 ZINC001046934798 1347157104 /nfs/dbraw/zinc/15/71/04/1347157104.db2.gz DAIRFSUFNWGCTJ-ZDUSSCGKSA-N 1 2 334.838 3.249 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(CC)CC ZINC001049322964 1347789823 /nfs/dbraw/zinc/78/98/23/1347789823.db2.gz QQSCBPJJQAVTNR-CABCVRRESA-N 1 2 343.309 3.397 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(CC)CC ZINC001049322964 1347789822 /nfs/dbraw/zinc/78/98/22/1347789822.db2.gz QQSCBPJJQAVTNR-CABCVRRESA-N 1 2 343.309 3.397 20 30 EGEDLO CC1(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3Cc2cc(F)ccc2C#N)CC1 ZINC001049489884 1347873845 /nfs/dbraw/zinc/87/38/45/1347873845.db2.gz HZWLUSAUXHUREZ-QZTJIDSGSA-N 1 2 341.430 3.063 20 30 EGEDLO CC1(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3Cc2cc(F)ccc2C#N)CC1 ZINC001049489884 1347873851 /nfs/dbraw/zinc/87/38/51/1347873851.db2.gz HZWLUSAUXHUREZ-QZTJIDSGSA-N 1 2 341.430 3.063 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1conc1C(C)C ZINC001049516609 1347887834 /nfs/dbraw/zinc/88/78/34/1347887834.db2.gz DQQOLZIMEXXJME-CABCVRRESA-N 1 2 337.851 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1conc1C(C)C ZINC001049516609 1347887837 /nfs/dbraw/zinc/88/78/37/1347887837.db2.gz DQQOLZIMEXXJME-CABCVRRESA-N 1 2 337.851 3.229 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3Cc2nccs2)C1 ZINC001049708253 1347984917 /nfs/dbraw/zinc/98/49/17/1347984917.db2.gz OQKUZPBZNRLUHA-LSDHHAIUSA-N 1 2 331.485 3.065 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3Cc2nccs2)C1 ZINC001049708253 1347984920 /nfs/dbraw/zinc/98/49/20/1347984920.db2.gz OQKUZPBZNRLUHA-LSDHHAIUSA-N 1 2 331.485 3.065 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)C(C)C ZINC001049769147 1348011769 /nfs/dbraw/zinc/01/17/69/1348011769.db2.gz NQOSCAHCRLGFCE-QLFBSQMISA-N 1 2 343.309 3.252 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)C(C)C ZINC001049769147 1348011770 /nfs/dbraw/zinc/01/17/70/1348011770.db2.gz NQOSCAHCRLGFCE-QLFBSQMISA-N 1 2 343.309 3.252 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)c3sc(C)nc3C)[C@@H]2C1 ZINC001050198367 1348208970 /nfs/dbraw/zinc/20/89/70/1348208970.db2.gz MLXQEOJZHBUKCP-UONOGXRCSA-N 1 2 339.892 3.049 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3sc(C)nc3C)[C@@H]2C1 ZINC001050198367 1348208971 /nfs/dbraw/zinc/20/89/71/1348208971.db2.gz MLXQEOJZHBUKCP-UONOGXRCSA-N 1 2 339.892 3.049 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1c(Cl)oc2ccccc21 ZINC001051082282 1348389956 /nfs/dbraw/zinc/38/99/56/1348389956.db2.gz XRYNBSOATBZXGL-ZDUSSCGKSA-N 1 2 348.830 3.093 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c(Cl)oc2ccccc21 ZINC001051082282 1348389958 /nfs/dbraw/zinc/38/99/58/1348389958.db2.gz XRYNBSOATBZXGL-ZDUSSCGKSA-N 1 2 348.830 3.093 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1coc2ccc(Cl)cc21 ZINC001051227082 1348406443 /nfs/dbraw/zinc/40/64/43/1348406443.db2.gz KZTRCGPZTNADHC-AWEZNQCLSA-N 1 2 348.830 3.093 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1coc2ccc(Cl)cc21 ZINC001051227082 1348406446 /nfs/dbraw/zinc/40/64/46/1348406446.db2.gz KZTRCGPZTNADHC-AWEZNQCLSA-N 1 2 348.830 3.093 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)c3ocnc3C)cccc2C1 ZINC001051285292 1348418643 /nfs/dbraw/zinc/41/86/43/1348418643.db2.gz HBWQMADJNNCGOO-UHFFFAOYSA-N 1 2 345.830 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)c3ocnc3C)cccc2C1 ZINC001051285292 1348418644 /nfs/dbraw/zinc/41/86/44/1348418644.db2.gz HBWQMADJNNCGOO-UHFFFAOYSA-N 1 2 345.830 3.024 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3nc(C(C)C)no3)CC2)C1 ZINC001052689765 1348633764 /nfs/dbraw/zinc/63/37/64/1348633764.db2.gz JWBHMMOLTGNNAA-HNNXBMFYSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3nc(C(C)C)no3)CC2)C1 ZINC001052689765 1348633766 /nfs/dbraw/zinc/63/37/66/1348633766.db2.gz JWBHMMOLTGNNAA-HNNXBMFYSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(CC)c(C)s1)O2 ZINC001053695324 1349096157 /nfs/dbraw/zinc/09/61/57/1349096157.db2.gz DKQRECZKPGWRCX-INIZCTEOSA-N 1 2 348.512 3.158 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc([C@H](C)CC)cc1)O2 ZINC001053701250 1349099003 /nfs/dbraw/zinc/09/90/03/1349099003.db2.gz QDGMGQYCIODZDV-APWZRJJASA-N 1 2 342.483 3.349 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCCC1(C)C)O2 ZINC001053701424 1349099214 /nfs/dbraw/zinc/09/92/14/1349099214.db2.gz VCMQHPOTTYCIJS-IRXDYDNUSA-N 1 2 334.504 3.129 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C3CCC3)cc1)CO2 ZINC001053822931 1349111548 /nfs/dbraw/zinc/11/15/48/1349111548.db2.gz ZDJMWXSOKZZSTF-LJQANCHMSA-N 1 2 340.467 3.103 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccccc1C(C)(C)C)CO2 ZINC001053839629 1349115285 /nfs/dbraw/zinc/11/52/85/1349115285.db2.gz LJFZZNNZMHYDKX-MRXNPFEDSA-N 1 2 342.483 3.133 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)c3ccccc3n2)C1 ZINC001079982113 1357448321 /nfs/dbraw/zinc/44/83/21/1357448321.db2.gz ODEDYAJRTKTTCC-FZKQIMNGSA-N 1 2 343.858 3.346 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)c3ccccc3n2)C1 ZINC001079982113 1357448324 /nfs/dbraw/zinc/44/83/24/1357448324.db2.gz ODEDYAJRTKTTCC-FZKQIMNGSA-N 1 2 343.858 3.346 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3coc(C4CCCC4)n3)cc2C1 ZINC001054288204 1349291250 /nfs/dbraw/zinc/29/12/50/1349291250.db2.gz NIFPLAFRJBFUMC-UHFFFAOYSA-N 1 2 349.434 3.211 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3coc(C4CCCC4)n3)cc2C1 ZINC001054288204 1349291255 /nfs/dbraw/zinc/29/12/55/1349291255.db2.gz NIFPLAFRJBFUMC-UHFFFAOYSA-N 1 2 349.434 3.211 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nc3ccccc3cc2C)C1 ZINC001080158252 1357505076 /nfs/dbraw/zinc/50/50/76/1357505076.db2.gz CVFYLGUUVLEZJL-CXAGYDPISA-N 1 2 343.858 3.346 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nc3ccccc3cc2C)C1 ZINC001080158252 1357505079 /nfs/dbraw/zinc/50/50/79/1357505079.db2.gz CVFYLGUUVLEZJL-CXAGYDPISA-N 1 2 343.858 3.346 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H](CN(C)c2cc[nH+]c(C)n2)C1 ZINC001058703448 1350290404 /nfs/dbraw/zinc/29/04/04/1350290404.db2.gz SVJFTNPQLTXZFD-VQIMIIECSA-N 1 2 330.476 3.062 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001080317069 1357570984 /nfs/dbraw/zinc/57/09/84/1357570984.db2.gz MHLHSAZBPMCAHN-BXUZGUMPSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001080317069 1357570987 /nfs/dbraw/zinc/57/09/87/1357570987.db2.gz MHLHSAZBPMCAHN-BXUZGUMPSA-N 1 2 343.309 3.158 20 30 EGEDLO C#Cc1ccc(C(=O)N2CCC([C@@H](C)Nc3cc[nH+]c(C)n3)CC2)cc1 ZINC001061871917 1351386165 /nfs/dbraw/zinc/38/61/65/1351386165.db2.gz VLIXDAUFURLZHM-OAHLLOKOSA-N 1 2 348.450 3.119 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@]2(C1)CCCN(c1cc[nH+]c(C)n1)C2 ZINC001064567767 1352628437 /nfs/dbraw/zinc/62/84/37/1352628437.db2.gz WWWJNLJQFRKZFZ-UXHICEINSA-N 1 2 342.487 3.206 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[C@]2(C1)CCCN(c1cc[nH+]c(C)n1)C2 ZINC001064567769 1352628745 /nfs/dbraw/zinc/62/87/45/1352628745.db2.gz WWWJNLJQFRKZFZ-WOJBJXKFSA-N 1 2 342.487 3.206 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@@H](CCNc3cc[nH+]c(C)n3)C2)CC1 ZINC001066372837 1353071799 /nfs/dbraw/zinc/07/17/99/1353071799.db2.gz XIXCYKTXXHFFBF-MRXNPFEDSA-N 1 2 328.460 3.182 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CCCCC3(C)C)c2C1 ZINC001069883570 1354292717 /nfs/dbraw/zinc/29/27/17/1354292717.db2.gz PQYOGUZFNPHOBU-QGZVFWFLSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CCCCC3(C)C)c2C1 ZINC001069883570 1354292723 /nfs/dbraw/zinc/29/27/23/1354292723.db2.gz PQYOGUZFNPHOBU-QGZVFWFLSA-N 1 2 344.503 3.107 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)c2cccs2)C[N@@H+]1CC#Cc1ccccc1 ZINC001071327068 1354591201 /nfs/dbraw/zinc/59/12/01/1354591201.db2.gz JTOVEUIAXRYOQD-SJLPKXTDSA-N 1 2 338.476 3.383 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)c2cccs2)C[N@H+]1CC#Cc1ccccc1 ZINC001071327068 1354591205 /nfs/dbraw/zinc/59/12/05/1354591205.db2.gz JTOVEUIAXRYOQD-SJLPKXTDSA-N 1 2 338.476 3.383 20 30 EGEDLO C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C(F)C(F)(F)F)C2)CC1 ZINC001086924364 1359250037 /nfs/dbraw/zinc/25/00/37/1359250037.db2.gz QGKJGMUZDOYQQC-OLZOCXBDSA-N 1 2 336.373 3.166 20 30 EGEDLO C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](F)C(F)(F)F)C2)CC1 ZINC001086924364 1359250039 /nfs/dbraw/zinc/25/00/39/1359250039.db2.gz QGKJGMUZDOYQQC-OLZOCXBDSA-N 1 2 336.373 3.166 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)c2ccoc2)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001071350581 1354620014 /nfs/dbraw/zinc/62/00/14/1354620014.db2.gz XFZMRGLVYNMRMP-KXBFYZLASA-N 1 2 340.398 3.053 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)c2ccoc2)C[N@H+]1CC#Cc1ccc(F)cc1 ZINC001071350581 1354620016 /nfs/dbraw/zinc/62/00/16/1354620016.db2.gz XFZMRGLVYNMRMP-KXBFYZLASA-N 1 2 340.398 3.053 20 30 EGEDLO Cc1coc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC#Cc3ccccc3)C2)c1 ZINC001071747986 1354898894 /nfs/dbraw/zinc/89/88/94/1354898894.db2.gz KXUKCTUTOKZXND-HKUYNNGSSA-N 1 2 336.435 3.222 20 30 EGEDLO Cc1coc(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC#Cc3ccccc3)C2)c1 ZINC001071747986 1354898896 /nfs/dbraw/zinc/89/88/96/1354898896.db2.gz KXUKCTUTOKZXND-HKUYNNGSSA-N 1 2 336.435 3.222 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3nc(C)oc3C)C2)C1 ZINC001071807351 1354952295 /nfs/dbraw/zinc/95/22/95/1354952295.db2.gz QYPMZYZBWMTTKL-BBRMVZONSA-N 1 2 331.460 3.117 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3nc(C)oc3C)C2)C1 ZINC001071807351 1354952303 /nfs/dbraw/zinc/95/23/03/1354952303.db2.gz QYPMZYZBWMTTKL-BBRMVZONSA-N 1 2 331.460 3.117 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc(F)c(OC)c2)CC[C@H]1C ZINC001071835425 1354969587 /nfs/dbraw/zinc/96/95/87/1354969587.db2.gz NBMKMDDBNQVVNI-OCCSQVGLSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc(F)c(OC)c2)CC[C@H]1C ZINC001071835425 1354969591 /nfs/dbraw/zinc/96/95/91/1354969591.db2.gz NBMKMDDBNQVVNI-OCCSQVGLSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2c(F)cccc2F)CC[C@H]1C ZINC001072023187 1355085232 /nfs/dbraw/zinc/08/52/32/1355085232.db2.gz NKDZIMKHFOZVCH-NEPJUHHUSA-N 1 2 328.790 3.300 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2c(F)cccc2F)CC[C@H]1C ZINC001072023187 1355085235 /nfs/dbraw/zinc/08/52/35/1355085235.db2.gz NKDZIMKHFOZVCH-NEPJUHHUSA-N 1 2 328.790 3.300 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2ccc3c(c2)CCC3)CC[C@H]1C ZINC001072070820 1355112387 /nfs/dbraw/zinc/11/23/87/1355112387.db2.gz SQPJKJDJCCMVOC-DNVCBOLYSA-N 1 2 346.902 3.439 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2ccc3c(c2)CCC3)CC[C@H]1C ZINC001072070820 1355112389 /nfs/dbraw/zinc/11/23/89/1355112389.db2.gz SQPJKJDJCCMVOC-DNVCBOLYSA-N 1 2 346.902 3.439 20 30 EGEDLO CC#CC[N@@H+]1C[C@H](NC(=O)c2sc(Cl)nc2Cl)CC[C@@H]1C ZINC001072076525 1355115410 /nfs/dbraw/zinc/11/54/10/1355115410.db2.gz QIAMGTPBUUTPKY-VHSXEESVSA-N 1 2 346.283 3.056 20 30 EGEDLO CC#CC[N@H+]1C[C@H](NC(=O)c2sc(Cl)nc2Cl)CC[C@@H]1C ZINC001072076525 1355115412 /nfs/dbraw/zinc/11/54/12/1355115412.db2.gz QIAMGTPBUUTPKY-VHSXEESVSA-N 1 2 346.283 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccc3oc(C)nc32)CC[C@H]1C ZINC001072109062 1355135756 /nfs/dbraw/zinc/13/57/56/1355135756.db2.gz AOPFBCOHAMEOJJ-TZMCWYRMSA-N 1 2 347.846 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cccc3oc(C)nc32)CC[C@H]1C ZINC001072109062 1355135759 /nfs/dbraw/zinc/13/57/59/1355135759.db2.gz AOPFBCOHAMEOJJ-TZMCWYRMSA-N 1 2 347.846 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(C3CC3)cc2)C1 ZINC001073896684 1355944927 /nfs/dbraw/zinc/94/49/27/1355944927.db2.gz YLEIKYGQPSSILD-GOSISDBHSA-N 1 2 348.874 3.137 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2ccc(C3CC3)cc2)C1 ZINC001073896684 1355944931 /nfs/dbraw/zinc/94/49/31/1355944931.db2.gz YLEIKYGQPSSILD-GOSISDBHSA-N 1 2 348.874 3.137 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCC[N@H+](CC3=CCCCC3)[C@H]2C1 ZINC001074312636 1356163440 /nfs/dbraw/zinc/16/34/40/1356163440.db2.gz QAKRAJYUWZSUHP-ROUUACIJSA-N 1 2 332.488 3.001 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCC[N@@H+](CC3=CCCCC3)[C@H]2C1 ZINC001074312636 1356163442 /nfs/dbraw/zinc/16/34/42/1356163442.db2.gz QAKRAJYUWZSUHP-ROUUACIJSA-N 1 2 332.488 3.001 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(CCC)cc3)C[C@@H]21 ZINC001074326316 1356170474 /nfs/dbraw/zinc/17/04/74/1356170474.db2.gz CRNFKKIPUINXOT-PMACEKPBSA-N 1 2 342.483 3.131 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(CCC)cc3)C[C@@H]21 ZINC001074326316 1356170475 /nfs/dbraw/zinc/17/04/75/1356170475.db2.gz CRNFKKIPUINXOT-PMACEKPBSA-N 1 2 342.483 3.131 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@@H]3OCC[N@@H+](CC=C(C)C)[C@H]3C2)CC1 ZINC001074326713 1356170879 /nfs/dbraw/zinc/17/08/79/1356170879.db2.gz JAHMGNSTCQCRMV-OALUTQOASA-N 1 2 332.488 3.001 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@@H]3OCC[N@H+](CC=C(C)C)[C@H]3C2)CC1 ZINC001074326713 1356170881 /nfs/dbraw/zinc/17/08/81/1356170881.db2.gz JAHMGNSTCQCRMV-OALUTQOASA-N 1 2 332.488 3.001 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4cc[nH]c4c3)[C@@H]2C1 ZINC001076294259 1356539996 /nfs/dbraw/zinc/53/99/96/1356539996.db2.gz BJJYYCXUCJMKQH-DOTOQJQBSA-N 1 2 329.831 3.067 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4cc[nH]c4c3)[C@@H]2C1 ZINC001076294259 1356540002 /nfs/dbraw/zinc/54/00/02/1356540002.db2.gz BJJYYCXUCJMKQH-DOTOQJQBSA-N 1 2 329.831 3.067 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccccc4)[C@@H]3C2)c(F)c1 ZINC001084161129 1358147939 /nfs/dbraw/zinc/14/79/39/1358147939.db2.gz KITZUGGVIGFPLX-UYAOXDASSA-N 1 2 349.409 3.044 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccccc4)[C@@H]3C2)c(F)c1 ZINC001084161129 1358147941 /nfs/dbraw/zinc/14/79/41/1358147941.db2.gz KITZUGGVIGFPLX-UYAOXDASSA-N 1 2 349.409 3.044 20 30 EGEDLO Cc1ccccc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084164007 1358150338 /nfs/dbraw/zinc/15/03/38/1358150338.db2.gz SNJADVUZXPENLQ-TZIWHRDSSA-N 1 2 345.446 3.213 20 30 EGEDLO Cc1ccccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084164007 1358150341 /nfs/dbraw/zinc/15/03/41/1358150341.db2.gz SNJADVUZXPENLQ-TZIWHRDSSA-N 1 2 345.446 3.213 20 30 EGEDLO CC(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084370926 1358202515 /nfs/dbraw/zinc/20/25/15/1358202515.db2.gz QSIVUHJFTFTQIK-RTBURBONSA-N 1 2 339.483 3.273 20 30 EGEDLO CC(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084370926 1358202519 /nfs/dbraw/zinc/20/25/19/1358202519.db2.gz QSIVUHJFTFTQIK-RTBURBONSA-N 1 2 339.483 3.273 20 30 EGEDLO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c(Cl)[nH]nc3C3CC3)[C@@H]2C1 ZINC001084399576 1358208155 /nfs/dbraw/zinc/20/81/55/1358208155.db2.gz SNNPLRJEQLZSAT-ZIAGYGMSSA-N 1 2 348.878 3.053 20 30 EGEDLO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3c(Cl)[nH]nc3C3CC3)[C@@H]2C1 ZINC001084399576 1358208158 /nfs/dbraw/zinc/20/81/58/1358208158.db2.gz SNNPLRJEQLZSAT-ZIAGYGMSSA-N 1 2 348.878 3.053 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccncc3Cl)C[C@H]21 ZINC001084574107 1358241815 /nfs/dbraw/zinc/24/18/15/1358241815.db2.gz QRHKUNCUMUTWPE-NVXWUHKLSA-N 1 2 347.890 3.370 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccncc3Cl)C[C@H]21 ZINC001084574107 1358241816 /nfs/dbraw/zinc/24/18/16/1358241816.db2.gz QRHKUNCUMUTWPE-NVXWUHKLSA-N 1 2 347.890 3.370 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C(F)F)CCCC3)[C@@H]2C1 ZINC001084604446 1358254958 /nfs/dbraw/zinc/25/49/58/1358254958.db2.gz HFWFYFQYTRSUIV-CHWSQXEVSA-N 1 2 332.822 3.097 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C(F)F)CCCC3)[C@@H]2C1 ZINC001084604446 1358254959 /nfs/dbraw/zinc/25/49/59/1358254959.db2.gz HFWFYFQYTRSUIV-CHWSQXEVSA-N 1 2 332.822 3.097 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@H]1CCC(F)(F)C1 ZINC001085633333 1358650018 /nfs/dbraw/zinc/65/00/18/1358650018.db2.gz PYLHIEQWFFIUFB-ROUUACIJSA-N 1 2 346.421 3.006 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@H]1CCC(F)(F)C1 ZINC001085633333 1358650023 /nfs/dbraw/zinc/65/00/23/1358650023.db2.gz PYLHIEQWFFIUFB-ROUUACIJSA-N 1 2 346.421 3.006 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCCC(F)(F)F)[C@H]1C ZINC001332206168 1390043369 /nfs/dbraw/zinc/04/33/69/1390043369.db2.gz NKLTYABSQNFJQI-NEPJUHHUSA-N 1 2 326.790 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCCC(F)(F)F)[C@H]1C ZINC001332206168 1390043376 /nfs/dbraw/zinc/04/33/76/1390043376.db2.gz NKLTYABSQNFJQI-NEPJUHHUSA-N 1 2 326.790 3.441 20 30 EGEDLO CCc1ccccc1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001085787378 1358761347 /nfs/dbraw/zinc/76/13/47/1358761347.db2.gz NCOMHXZFZPORGI-NRFANRHFSA-N 1 2 346.474 3.447 20 30 EGEDLO CCc1ccccc1C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001085787378 1358761352 /nfs/dbraw/zinc/76/13/52/1358761352.db2.gz NCOMHXZFZPORGI-NRFANRHFSA-N 1 2 346.474 3.447 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183830045 1387355448 /nfs/dbraw/zinc/35/54/48/1387355448.db2.gz BDLMQCGCHUEKBS-IBGZPJMESA-N 1 2 325.456 3.337 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183830045 1387355450 /nfs/dbraw/zinc/35/54/50/1387355450.db2.gz BDLMQCGCHUEKBS-IBGZPJMESA-N 1 2 325.456 3.337 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)c1c[nH]cc1C1CC1 ZINC001085901130 1358858897 /nfs/dbraw/zinc/85/88/97/1358858897.db2.gz YMESBCBFWNIQIX-SFHVURJKSA-N 1 2 348.450 3.110 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)c1c[nH]cc1C1CC1 ZINC001085901130 1358858900 /nfs/dbraw/zinc/85/89/00/1358858900.db2.gz YMESBCBFWNIQIX-SFHVURJKSA-N 1 2 348.450 3.110 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc(-c2ccco2)s1 ZINC001085938033 1358894285 /nfs/dbraw/zinc/89/42/85/1358894285.db2.gz WETSTIYOVIJSSK-ZDUSSCGKSA-N 1 2 331.441 3.126 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc(-c2ccco2)s1 ZINC001085938033 1358894290 /nfs/dbraw/zinc/89/42/90/1358894290.db2.gz WETSTIYOVIJSSK-ZDUSSCGKSA-N 1 2 331.441 3.126 20 30 EGEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(-c2cccs2)o1 ZINC001085951483 1358907317 /nfs/dbraw/zinc/90/73/17/1358907317.db2.gz HEKXSJIGMASHQX-CQSZACIVSA-N 1 2 328.437 3.178 20 30 EGEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(-c2cccs2)o1 ZINC001085951483 1358907325 /nfs/dbraw/zinc/90/73/25/1358907325.db2.gz HEKXSJIGMASHQX-CQSZACIVSA-N 1 2 328.437 3.178 20 30 EGEDLO C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2nccs2)C1 ZINC001087459072 1359476340 /nfs/dbraw/zinc/47/63/40/1359476340.db2.gz LAQPFIRHVBBSRT-HZPDHXFCSA-N 1 2 345.443 3.056 20 30 EGEDLO C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2nccs2)C1 ZINC001087459072 1359476342 /nfs/dbraw/zinc/47/63/42/1359476342.db2.gz LAQPFIRHVBBSRT-HZPDHXFCSA-N 1 2 345.443 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nc(C(C)C)oc2C)[C@H]1CC ZINC001087570240 1359536476 /nfs/dbraw/zinc/53/64/76/1359536476.db2.gz HYCYZQOHWFOSOP-UONOGXRCSA-N 1 2 339.867 3.442 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nc(C(C)C)oc2C)[C@H]1CC ZINC001087570240 1359536479 /nfs/dbraw/zinc/53/64/79/1359536479.db2.gz HYCYZQOHWFOSOP-UONOGXRCSA-N 1 2 339.867 3.442 20 30 EGEDLO CC(C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1C)=C1CCC1 ZINC001088560048 1359973079 /nfs/dbraw/zinc/97/30/79/1359973079.db2.gz UVJDRBBWHMJLMD-KUHUBIRLSA-N 1 2 341.430 3.277 20 30 EGEDLO CC(C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1C)=C1CCC1 ZINC001088560048 1359973083 /nfs/dbraw/zinc/97/30/83/1359973083.db2.gz UVJDRBBWHMJLMD-KUHUBIRLSA-N 1 2 341.430 3.277 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)C(C)(C)CO3)[C@H]1C ZINC001088737129 1360025718 /nfs/dbraw/zinc/02/57/18/1360025718.db2.gz CDDMBNBRGYFORO-CJNGLKHVSA-N 1 2 348.874 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)C(C)(C)CO3)[C@H]1C ZINC001088737129 1360025721 /nfs/dbraw/zinc/02/57/21/1360025721.db2.gz CDDMBNBRGYFORO-CJNGLKHVSA-N 1 2 348.874 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nc3ccccc3cc2C)[C@H]1C ZINC001088756757 1360032973 /nfs/dbraw/zinc/03/29/73/1360032973.db2.gz SDOWWEYTDGMTFV-ZBFHGGJFSA-N 1 2 343.858 3.488 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nc3ccccc3cc2C)[C@H]1C ZINC001088756757 1360032978 /nfs/dbraw/zinc/03/29/78/1360032978.db2.gz SDOWWEYTDGMTFV-ZBFHGGJFSA-N 1 2 343.858 3.488 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(-c3cnco3)c2)[C@H]1C ZINC001088952205 1360112836 /nfs/dbraw/zinc/11/28/36/1360112836.db2.gz FFITYDJNVOBPGB-CJNGLKHVSA-N 1 2 345.830 3.287 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(-c3cnco3)c2)[C@H]1C ZINC001088952205 1360112837 /nfs/dbraw/zinc/11/28/37/1360112837.db2.gz FFITYDJNVOBPGB-CJNGLKHVSA-N 1 2 345.830 3.287 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(N(CC)CC)cc2)[C@H]1C ZINC001089002019 1360132762 /nfs/dbraw/zinc/13/27/62/1360132762.db2.gz OYRPITVBZGDGIY-QAPCUYQASA-N 1 2 349.906 3.478 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(N(CC)CC)cc2)[C@H]1C ZINC001089002019 1360132764 /nfs/dbraw/zinc/13/27/64/1360132764.db2.gz OYRPITVBZGDGIY-QAPCUYQASA-N 1 2 349.906 3.478 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@H](C)N(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001089135709 1360194676 /nfs/dbraw/zinc/19/46/76/1360194676.db2.gz QKFROTQEPUYLLN-DLBZAZTESA-N 1 2 342.487 3.185 20 30 EGEDLO C#CCCCC(=O)NC[C@@H](C)N(CC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001089640367 1360553828 /nfs/dbraw/zinc/55/38/28/1360553828.db2.gz DIHSDLGGZGJXFO-MRXNPFEDSA-N 1 2 330.476 3.043 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@](C)(CNc2cc[nH+]c(C)n2)C1 ZINC001090255034 1360874536 /nfs/dbraw/zinc/87/45/36/1360874536.db2.gz ILQVULSMLSXZLX-AUUYWEPGSA-N 1 2 330.476 3.284 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@H](CNc3cc[nH+]c(C)n3)[C@@H](C)C2)CC1 ZINC001090282593 1360887192 /nfs/dbraw/zinc/88/71/92/1360887192.db2.gz WNHAANIPLHHUTN-DOTOQJQBSA-N 1 2 342.487 3.428 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H](Nc2cc[nH+]c(C)n2)C12CCC2 ZINC001090611903 1360910497 /nfs/dbraw/zinc/91/04/97/1360910497.db2.gz FADVSHYWGCYMTB-UONOGXRCSA-N 1 2 348.878 3.403 20 30 EGEDLO Cc1nc(N[C@H]2CCCCCN(C(=O)C#CC(C)(C)C)C2)cc[nH+]1 ZINC001091917689 1361248152 /nfs/dbraw/zinc/24/81/52/1361248152.db2.gz KYHXUSKKAQMPNK-INIZCTEOSA-N 1 2 328.460 3.018 20 30 EGEDLO C=CCC1(C(=O)N2C[C@@H](CNc3cc[nH+]c(C)n3)[C@H](C)C2)CCC1 ZINC001092674249 1361439087 /nfs/dbraw/zinc/43/90/87/1361439087.db2.gz BDDIAPHGPFRQMH-GDBMZVCRSA-N 1 2 328.460 3.038 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001093044803 1361515155 /nfs/dbraw/zinc/51/51/55/1361515155.db2.gz MPRGDLRJVUETQN-IHSNIMORSA-N 1 2 342.487 3.176 20 30 EGEDLO C=CCC1(C(=O)N2CCN(c3nc(C)[nH+]c(C)c3C)CC2)CCCC1 ZINC001093163241 1361545831 /nfs/dbraw/zinc/54/58/31/1361545831.db2.gz PERFLFJBVWKTSZ-UHFFFAOYSA-N 1 2 342.487 3.187 20 30 EGEDLO C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001093371102 1361580610 /nfs/dbraw/zinc/58/06/10/1361580610.db2.gz JLRNHWFSRLYRPP-UONOGXRCSA-N 1 2 348.384 3.166 20 30 EGEDLO C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001093371102 1361580613 /nfs/dbraw/zinc/58/06/13/1361580613.db2.gz JLRNHWFSRLYRPP-UONOGXRCSA-N 1 2 348.384 3.166 20 30 EGEDLO C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001093371102 1361580617 /nfs/dbraw/zinc/58/06/17/1361580617.db2.gz JLRNHWFSRLYRPP-UONOGXRCSA-N 1 2 348.384 3.166 20 30 EGEDLO C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001093371102 1361580619 /nfs/dbraw/zinc/58/06/19/1361580619.db2.gz JLRNHWFSRLYRPP-UONOGXRCSA-N 1 2 348.384 3.166 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@]3(C)CC=CCC3)CC2)C1 ZINC001093539609 1361637117 /nfs/dbraw/zinc/63/71/17/1361637117.db2.gz VRNPCDQLQGMKRH-FQEVSTJZSA-N 1 2 332.488 3.001 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[C@@H]3CC[C@@H](C)C3)CC2)C1 ZINC001093562532 1361642957 /nfs/dbraw/zinc/64/29/57/1361642957.db2.gz UUIROKXZEOEPDP-IAGOWNOFSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC(OC2C[NH+](CC=C(C)C)C2)CC1 ZINC001093567278 1361644562 /nfs/dbraw/zinc/64/45/62/1361644562.db2.gz HYEUEXPOJOISNG-HXUWFJFHSA-N 1 2 334.504 3.247 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[C@H](C)c3ccco3)CC2)C1 ZINC001093592816 1361651655 /nfs/dbraw/zinc/65/16/55/1361651655.db2.gz OPYYNBMZXNJMCB-INIZCTEOSA-N 1 2 346.471 3.041 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3cccc(C)c3C)CC2)C1 ZINC001093595148 1361652334 /nfs/dbraw/zinc/65/23/34/1361652334.db2.gz MWLZQAPQBOUJNQ-UHFFFAOYSA-N 1 2 342.483 3.185 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3ccoc3C(C)C)CC2)C1 ZINC001093600174 1361654582 /nfs/dbraw/zinc/65/45/82/1361654582.db2.gz PASNZHDMQYQASK-UHFFFAOYSA-N 1 2 346.471 3.285 20 30 EGEDLO C#CCCCCCC(=O)N1CCC(CNc2cc[nH+]c(C)n2)CC1 ZINC001095268442 1362076142 /nfs/dbraw/zinc/07/61/42/1362076142.db2.gz GTXMLJWKQQPYAV-UHFFFAOYSA-N 1 2 328.460 3.019 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095323130 1362100831 /nfs/dbraw/zinc/10/08/31/1362100831.db2.gz PORZEQOGNCBWSI-MRXNPFEDSA-N 1 2 328.460 3.422 20 30 EGEDLO Cc1coc(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001095378770 1362121785 /nfs/dbraw/zinc/12/17/85/1362121785.db2.gz TYWLODGDJYSRLT-AABGKKOBSA-N 1 2 348.446 3.283 20 30 EGEDLO Cc1coc(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001095378770 1362121787 /nfs/dbraw/zinc/12/17/87/1362121787.db2.gz TYWLODGDJYSRLT-AABGKKOBSA-N 1 2 348.446 3.283 20 30 EGEDLO C=C(C)CCC(=O)NC1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001095431200 1362139014 /nfs/dbraw/zinc/13/90/14/1362139014.db2.gz BWZFKLFVHFXOKQ-UHFFFAOYSA-N 1 2 330.476 3.350 20 30 EGEDLO C=CC(C)(C)C(=O)NCCCN(c1nc(C)[nH+]c(C)c1C)C1CC1 ZINC001096065059 1362361062 /nfs/dbraw/zinc/36/10/62/1362361062.db2.gz JCFCQZIJVVOHFZ-UHFFFAOYSA-N 1 2 330.476 3.089 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCCN(c1nc(C)[nH+]c(C)c1C)C1CC1 ZINC001096072348 1362368531 /nfs/dbraw/zinc/36/85/31/1362368531.db2.gz MYWXHVHAAYDIEA-CQSZACIVSA-N 1 2 344.503 3.479 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096207464 1362431811 /nfs/dbraw/zinc/43/18/11/1362431811.db2.gz VJLVVQXVLKVYSS-INIZCTEOSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096231982 1362445593 /nfs/dbraw/zinc/44/55/93/1362445593.db2.gz DAJOLRHUEXKFJC-UZLBHIALSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1coc3ccccc13)C2 ZINC001096241569 1362448726 /nfs/dbraw/zinc/44/87/26/1362448726.db2.gz KQRLLMOVXBSPAM-PVAVHDDUSA-N 1 2 344.842 3.449 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1coc3ccccc13)C2 ZINC001096241569 1362448729 /nfs/dbraw/zinc/44/87/29/1362448729.db2.gz KQRLLMOVXBSPAM-PVAVHDDUSA-N 1 2 344.842 3.449 20 30 EGEDLO C=CC1(CC(=O)N[C@H]2CCN(c3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001096400199 1362489589 /nfs/dbraw/zinc/48/95/89/1362489589.db2.gz UOPDABLLWSJLPH-INIZCTEOSA-N 1 2 328.460 3.007 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(Cl)cc1)C2 ZINC001096406026 1362492854 /nfs/dbraw/zinc/49/28/54/1362492854.db2.gz KQFREEWYXHAGAR-ILXRZTDVSA-N 1 2 325.239 3.428 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(Cl)cc1)C2 ZINC001096406026 1362492857 /nfs/dbraw/zinc/49/28/57/1362492857.db2.gz KQFREEWYXHAGAR-ILXRZTDVSA-N 1 2 325.239 3.428 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC12CCN(c1cc(C)[nH+]c(C3CC3)n1)CC2 ZINC001096515273 1362546075 /nfs/dbraw/zinc/54/60/75/1362546075.db2.gz NFPNVDJHXQRGBE-MRXNPFEDSA-N 1 2 340.471 3.104 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC12CCN(c1cc(C)[nH+]c(C(C)C)n1)CC2 ZINC001096515384 1362546298 /nfs/dbraw/zinc/54/62/98/1362546298.db2.gz PMDPEEWXQSNFLF-INIZCTEOSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@H](CN(C)c2cc[nH+]c(C)n2)C1 ZINC001096873933 1362761761 /nfs/dbraw/zinc/76/17/61/1362761761.db2.gz KJMDSBCQKKQDKE-MRXNPFEDSA-N 1 2 330.476 3.062 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[C@@H](CN(C)c2cc[nH+]c(C)n2)C1 ZINC001096876306 1362763712 /nfs/dbraw/zinc/76/37/12/1362763712.db2.gz STOAUCOESYFQML-SFHVURJKSA-N 1 2 342.487 3.044 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096961359 1362794793 /nfs/dbraw/zinc/79/47/93/1362794793.db2.gz UREJVJXXUONYLZ-HNNXBMFYSA-N 1 2 328.460 3.278 20 30 EGEDLO CC(C)c1cc(N[C@H]2C[C@H](NC(=O)C#CC3CC3)C2)nc(C(C)C)[nH+]1 ZINC001097025191 1362814834 /nfs/dbraw/zinc/81/48/34/1362814834.db2.gz OUKZFACTHJVAMW-WKILWMFISA-N 1 2 340.471 3.196 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001097089146 1362838252 /nfs/dbraw/zinc/83/82/52/1362838252.db2.gz QFFGFTKQWSRDAC-JYJNAYRXSA-N 1 2 342.487 3.325 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001097094255 1362840093 /nfs/dbraw/zinc/84/00/93/1362840093.db2.gz MGKQMRYBVCSQGS-RRCSTGOVSA-N 1 2 342.487 3.181 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001097238753 1362896777 /nfs/dbraw/zinc/89/67/77/1362896777.db2.gz PRPSGSVNTWUQFX-GASCZTMLSA-N 1 2 342.487 3.325 20 30 EGEDLO C=CCCC(=O)NC[C@@H]1CCCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001097397149 1362971293 /nfs/dbraw/zinc/97/12/93/1362971293.db2.gz QXQRIOZBEPHKLN-INIZCTEOSA-N 1 2 328.460 3.104 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)ccc1OC)C2 ZINC001097470108 1363008704 /nfs/dbraw/zinc/00/87/04/1363008704.db2.gz ISFDRKHIAPWBQC-BMFZPTHFSA-N 1 2 334.847 3.091 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)ccc1OC)C2 ZINC001097470108 1363008706 /nfs/dbraw/zinc/00/87/06/1363008706.db2.gz ISFDRKHIAPWBQC-BMFZPTHFSA-N 1 2 334.847 3.091 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)c(OC)c1)C2 ZINC001097481123 1363012957 /nfs/dbraw/zinc/01/29/57/1363012957.db2.gz DPDNGDCKZRYRPY-OAGGEKHMSA-N 1 2 334.847 3.091 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)c(OC)c1)C2 ZINC001097481123 1363012961 /nfs/dbraw/zinc/01/29/61/1363012961.db2.gz DPDNGDCKZRYRPY-OAGGEKHMSA-N 1 2 334.847 3.091 20 30 EGEDLO C=CCCC(=O)N[C@@H](C)[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097524713 1363038738 /nfs/dbraw/zinc/03/87/38/1363038738.db2.gz KHTQCWHLBWLPIH-DOTOQJQBSA-N 1 2 330.476 3.089 20 30 EGEDLO C=CCCC(=O)N1C[C@@H]2CC[C@H](Nc3cc(C)[nH+]c(C4CC4)n3)[C@@H]2C1 ZINC001097593442 1363063756 /nfs/dbraw/zinc/06/37/56/1363063756.db2.gz MXSBSACTLXTATC-BBWFWOEESA-N 1 2 340.471 3.278 20 30 EGEDLO CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CCCC1 ZINC001097597570 1363065106 /nfs/dbraw/zinc/06/51/06/1363065106.db2.gz YSAQDGPDOJNWKG-QRVBRYPASA-N 1 2 337.467 3.360 20 30 EGEDLO CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CCCC1 ZINC001097597570 1363065107 /nfs/dbraw/zinc/06/51/07/1363065107.db2.gz YSAQDGPDOJNWKG-QRVBRYPASA-N 1 2 337.467 3.360 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCC(F)(F)CC1)C2 ZINC001097926050 1363168470 /nfs/dbraw/zinc/16/84/70/1363168470.db2.gz RYVWIGGBWXVHKL-MCIONIFRSA-N 1 2 332.822 3.286 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCC(F)(F)CC1)C2 ZINC001097926050 1363168473 /nfs/dbraw/zinc/16/84/73/1363168473.db2.gz RYVWIGGBWXVHKL-MCIONIFRSA-N 1 2 332.822 3.286 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(c3cccc(F)c3)CC1)C2 ZINC001097970619 1363184595 /nfs/dbraw/zinc/18/45/95/1363184595.db2.gz LXMQCBGCTGSBBA-ZACQAIPSSA-N 1 2 348.849 3.331 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(c3cccc(F)c3)CC1)C2 ZINC001097970619 1363184596 /nfs/dbraw/zinc/18/45/96/1363184596.db2.gz LXMQCBGCTGSBBA-ZACQAIPSSA-N 1 2 348.849 3.331 20 30 EGEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c(cccc3F)s1)C2 ZINC001098350428 1363305868 /nfs/dbraw/zinc/30/58/68/1363305868.db2.gz DBXLWZJGJMIFEQ-DFBGVHRSSA-N 1 2 328.412 3.009 20 30 EGEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c(cccc3F)s1)C2 ZINC001098350428 1363305870 /nfs/dbraw/zinc/30/58/70/1363305870.db2.gz DBXLWZJGJMIFEQ-DFBGVHRSSA-N 1 2 328.412 3.009 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CCC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001098650779 1363417152 /nfs/dbraw/zinc/41/71/52/1363417152.db2.gz AWYOCZFPSCLBAJ-SJORKVTESA-N 1 2 328.460 3.208 20 30 EGEDLO CC(F)(F)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccccc1C#N ZINC001098861713 1363495671 /nfs/dbraw/zinc/49/56/71/1363495671.db2.gz CYZCBXZUUAOOBK-MRXNPFEDSA-N 1 2 349.425 3.320 20 30 EGEDLO CC(F)(F)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccccc1C#N ZINC001098861713 1363495673 /nfs/dbraw/zinc/49/56/73/1363495673.db2.gz CYZCBXZUUAOOBK-MRXNPFEDSA-N 1 2 349.425 3.320 20 30 EGEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2cscn2)C3)CC1 ZINC001099012834 1363573368 /nfs/dbraw/zinc/57/33/68/1363573368.db2.gz POLUDXVREKRETL-LPHOPBHVSA-N 1 2 345.512 3.360 20 30 EGEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2cscn2)C3)CC1 ZINC001099012834 1363573374 /nfs/dbraw/zinc/57/33/74/1363573374.db2.gz POLUDXVREKRETL-LPHOPBHVSA-N 1 2 345.512 3.360 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](OCC)C1CC1 ZINC001099080707 1363613032 /nfs/dbraw/zinc/61/30/32/1363613032.db2.gz RKUPVBIUMSGNLC-JKSUJKDBSA-N 1 2 342.911 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](OCC)C1CC1 ZINC001099080707 1363613035 /nfs/dbraw/zinc/61/30/35/1363613035.db2.gz RKUPVBIUMSGNLC-JKSUJKDBSA-N 1 2 342.911 3.161 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ncccn1 ZINC001099189763 1363682630 /nfs/dbraw/zinc/68/26/30/1363682630.db2.gz WMNJMKMZVSXPEO-IAGOWNOFSA-N 1 2 344.503 3.186 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ncccn1 ZINC001099189763 1363682632 /nfs/dbraw/zinc/68/26/32/1363682632.db2.gz WMNJMKMZVSXPEO-IAGOWNOFSA-N 1 2 344.503 3.186 20 30 EGEDLO C=C1CC(C)(C(=O)NCC[C@@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001099670853 1363906751 /nfs/dbraw/zinc/90/67/51/1363906751.db2.gz WZPZQHXKQOHUEG-CYBMUJFWSA-N 1 2 328.460 3.325 20 30 EGEDLO C=CC1(CC(=O)NCCN(CC)c2cc[nH+]c(C)n2)CCCCC1 ZINC001100561606 1364163312 /nfs/dbraw/zinc/16/33/12/1364163312.db2.gz GBJDZCICHHENOF-UHFFFAOYSA-N 1 2 330.476 3.254 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nc(CCCC)no2)C1 ZINC001185280091 1387666974 /nfs/dbraw/zinc/66/69/74/1387666974.db2.gz FTCBGZCMLMMYOK-HUUCEWRRSA-N 1 2 334.464 3.020 20 30 EGEDLO C=CCC1(C(=O)NCC2CC([NH2+][C@H](C)c3noc(C)n3)C2)CCCC1 ZINC001101080344 1364403899 /nfs/dbraw/zinc/40/38/99/1364403899.db2.gz LGTWPGMLZXKEFP-IUDNXUCKSA-N 1 2 346.475 3.060 20 30 EGEDLO CCCCCCCCC(=O)N1C[C@H]2C[N@H+](Cc3cnon3)C[C@@]2(C)C1 ZINC001101442499 1364566887 /nfs/dbraw/zinc/56/68/87/1364566887.db2.gz OMVZDIDGEIGECZ-APWZRJJASA-N 1 2 348.491 3.101 20 30 EGEDLO CCCCCCCCC(=O)N1C[C@H]2C[N@@H+](Cc3cnon3)C[C@@]2(C)C1 ZINC001101442499 1364566891 /nfs/dbraw/zinc/56/68/91/1364566891.db2.gz OMVZDIDGEIGECZ-APWZRJJASA-N 1 2 348.491 3.101 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)CCCCCC)c1nccn12 ZINC001101648165 1364671124 /nfs/dbraw/zinc/67/11/24/1364671124.db2.gz VIUFENUPTHREPK-SJORKVTESA-N 1 2 344.503 3.248 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)CCCCCCCC)c1nccn12 ZINC001101651129 1364673581 /nfs/dbraw/zinc/67/35/81/1364673581.db2.gz LFUQIADXIZXLRY-QGZVFWFLSA-N 1 2 344.503 3.392 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)CCCC1CCCC1)c1nccn12 ZINC001101652933 1364674640 /nfs/dbraw/zinc/67/46/40/1364674640.db2.gz WFDAWCSTFCXGHW-KRWDZBQOSA-N 1 2 342.487 3.002 20 30 EGEDLO C=CCC1(C(=O)N(C)CCNc2nc(C)[nH+]c3c2CCCC3)CCC1 ZINC001101929779 1364778622 /nfs/dbraw/zinc/77/86/22/1364778622.db2.gz MHGMPRCPZGUMQI-UHFFFAOYSA-N 1 2 342.487 3.281 20 30 EGEDLO C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)C(F)C(F)(F)F)[C@H](C)C1 ZINC001101987932 1364800360 /nfs/dbraw/zinc/80/03/60/1364800360.db2.gz MCPHBDKBAICWLO-MCIONIFRSA-N 1 2 338.389 3.317 20 30 EGEDLO C=CCCCCC[N@H+]1C[C@@H](CNC(=O)C(F)C(F)(F)F)[C@H](C)C1 ZINC001101987932 1364800364 /nfs/dbraw/zinc/80/03/64/1364800364.db2.gz MCPHBDKBAICWLO-MCIONIFRSA-N 1 2 338.389 3.317 20 30 EGEDLO C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)[C@H](C)C1 ZINC001101987932 1364800366 /nfs/dbraw/zinc/80/03/66/1364800366.db2.gz MCPHBDKBAICWLO-MCIONIFRSA-N 1 2 338.389 3.317 20 30 EGEDLO C=CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)[C@H](C)C1 ZINC001101987932 1364800370 /nfs/dbraw/zinc/80/03/70/1364800370.db2.gz MCPHBDKBAICWLO-MCIONIFRSA-N 1 2 338.389 3.317 20 30 EGEDLO CC#CCCCC(=O)N(CC)[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102824876 1365238290 /nfs/dbraw/zinc/23/82/90/1365238290.db2.gz FFYJKLQYRRRJIY-GOSISDBHSA-N 1 2 342.487 3.023 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102880417 1365269663 /nfs/dbraw/zinc/26/96/63/1365269663.db2.gz HZCYGHDTGKESJM-KBXCAEBGSA-N 1 2 344.503 3.479 20 30 EGEDLO C#CCC1(C(=O)N2CCC[C@H](CCNc3cc[nH+]c(C)n3)C2)CCC1 ZINC001103614172 1365677348 /nfs/dbraw/zinc/67/73/48/1365677348.db2.gz DVLOUHQNFMPOIP-QGZVFWFLSA-N 1 2 340.471 3.019 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC(CCNc2cc[nH+]c(C)n2)CC1 ZINC001103624693 1365685541 /nfs/dbraw/zinc/68/55/41/1365685541.db2.gz IEDCOCGFZBOESH-GJZGRUSLSA-N 1 2 330.476 3.284 20 30 EGEDLO Cc1cc(NCc2ccc(CNC(=O)[C@@H](C)C#N)cc2)nc(C2CC2)[nH+]1 ZINC001103661158 1365709184 /nfs/dbraw/zinc/70/91/84/1365709184.db2.gz CTEFCZVSXOADGO-ZDUSSCGKSA-N 1 2 349.438 3.050 20 30 EGEDLO C=CCCC(=O)N1CCC[C@@H]1CNc1nc(C)[nH+]c2c1CCCC2 ZINC001103797365 1365786619 /nfs/dbraw/zinc/78/66/19/1365786619.db2.gz PBSDCRVLBWWRJK-OAHLLOKOSA-N 1 2 328.460 3.033 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104208858 1365951717 /nfs/dbraw/zinc/95/17/17/1365951717.db2.gz JLGKEMBSFGGDRI-JLTOFOAXSA-N 1 2 344.503 3.430 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001104234351 1365963230 /nfs/dbraw/zinc/96/32/30/1365963230.db2.gz VNHFRUKJUYDZFT-CYBMUJFWSA-N 1 2 330.476 3.429 20 30 EGEDLO Cc1cc(NC[C@H](CC(C)C)NC(=O)[C@@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001104935956 1366230773 /nfs/dbraw/zinc/23/07/73/1366230773.db2.gz ZBTQQTNHXVZNEV-ZFWWWQNUSA-N 1 2 331.464 3.011 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H](Nc3cc[nH+]c(C)n3)[C@@H](C)C2)CC1 ZINC001105057024 1366298470 /nfs/dbraw/zinc/29/84/70/1366298470.db2.gz JXDSOWNALJWVEL-GOEBONIOSA-N 1 2 328.460 3.180 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC(CCN(C)c2cc[nH+]c(C)n2)CC1 ZINC001105100810 1366328370 /nfs/dbraw/zinc/32/83/70/1366328370.db2.gz LDYBFAMDVXLWJD-QGZVFWFLSA-N 1 2 344.503 3.452 20 30 EGEDLO Cc1cc(N[C@H](CNC(=O)C#CC(C)C)C(C)C)nc(C(C)C)[nH+]1 ZINC001105180140 1366359267 /nfs/dbraw/zinc/35/92/67/1366359267.db2.gz BCCZTTZRBLPYNZ-MRXNPFEDSA-N 1 2 330.476 3.121 20 30 EGEDLO C=C[C@@H](C(=O)NC[C@H](Nc1cc[nH+]c(C)n1)C(C)C)c1ccccc1 ZINC001105195834 1366366742 /nfs/dbraw/zinc/36/67/42/1366366742.db2.gz SPCMLRCJAFTYTR-MSOLQXFVSA-N 1 2 338.455 3.308 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](Nc2cc[nH+]c(C)n2)C(C)C)CCCC1 ZINC001105199389 1366368196 /nfs/dbraw/zinc/36/81/96/1366368196.db2.gz SCDWFBCWRHNXQO-MRXNPFEDSA-N 1 2 330.476 3.474 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)CCN(C)c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001105550207 1366526157 /nfs/dbraw/zinc/52/61/57/1366526157.db2.gz ITIHGTRHSHFQDC-UHFFFAOYSA-N 1 2 330.476 3.159 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CCC[C@@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001105652123 1366560347 /nfs/dbraw/zinc/56/03/47/1366560347.db2.gz PZPKOXSJVOBZPO-SJORKVTESA-N 1 2 340.471 3.163 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001105674384 1366566407 /nfs/dbraw/zinc/56/64/07/1366566407.db2.gz DSWNJVZSUGDYKE-SJORKVTESA-N 1 2 328.460 3.250 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C3(CCC)CCC3)CC2)C1 ZINC001105719614 1366583490 /nfs/dbraw/zinc/58/34/90/1366583490.db2.gz MJVHDZXPWNBQGP-UHFFFAOYSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[C@@H](C)C(C)(C)C)CC2)C1 ZINC001105734016 1366588913 /nfs/dbraw/zinc/58/89/13/1366588913.db2.gz VTXYYAUTHRNGJS-MRXNPFEDSA-N 1 2 336.520 3.327 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2ncc(C(C)(C)C)o2)C1 ZINC001185932484 1387830497 /nfs/dbraw/zinc/83/04/97/1387830497.db2.gz OYRFZOJKOQQQHL-CQSZACIVSA-N 1 2 333.476 3.265 20 30 EGEDLO CC#CCCCC(=O)N(CC)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106913080 1366831152 /nfs/dbraw/zinc/83/11/52/1366831152.db2.gz NKCVEIRDYGAUMM-UHFFFAOYSA-N 1 2 328.460 3.116 20 30 EGEDLO CC(C)c1cc(NC/C=C/CNC(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001107158122 1366882274 /nfs/dbraw/zinc/88/22/74/1366882274.db2.gz JINIYHPGIVWLFB-AATRIKPKSA-N 1 2 340.471 3.221 20 30 EGEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCCCCCCC)nn2)C1 ZINC001107230712 1366899212 /nfs/dbraw/zinc/89/92/12/1366899212.db2.gz WKWZGQOXDMPMLB-UHFFFAOYSA-N 1 2 347.507 3.078 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nncs1)CC2 ZINC001107420989 1366959671 /nfs/dbraw/zinc/95/96/71/1366959671.db2.gz SDJXSSOQYBAREN-RDTXWAMCSA-N 1 2 348.516 3.001 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nncs1)CC2 ZINC001107420989 1366959674 /nfs/dbraw/zinc/95/96/74/1366959674.db2.gz SDJXSSOQYBAREN-RDTXWAMCSA-N 1 2 348.516 3.001 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NC/C=C\CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107456735 1366970012 /nfs/dbraw/zinc/97/00/12/1366970012.db2.gz SZZQOMUHRAKEJX-QDPGXPNISA-N 1 2 328.460 3.205 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC/C=C/CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107461419 1366971962 /nfs/dbraw/zinc/97/19/62/1366971962.db2.gz DMRPOFKIUWMYKG-KIUWMYQTSA-N 1 2 342.487 3.350 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)nc1 ZINC001109166630 1366984798 /nfs/dbraw/zinc/98/47/98/1366984798.db2.gz YXUFKUFZOQYGKF-IKGGRYGDSA-N 1 2 345.874 3.150 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)nc1 ZINC001109166630 1366984801 /nfs/dbraw/zinc/98/48/01/1366984801.db2.gz YXUFKUFZOQYGKF-IKGGRYGDSA-N 1 2 345.874 3.150 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001109185545 1366992093 /nfs/dbraw/zinc/99/20/93/1366992093.db2.gz ZNBTXNANTULSTQ-ZFWWWQNUSA-N 1 2 330.476 3.206 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H](C)CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001109225363 1367013078 /nfs/dbraw/zinc/01/30/78/1367013078.db2.gz LUWZSXCYGILNFK-KUHUBIRLSA-N 1 2 330.476 3.206 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CCCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC001109347628 1367076671 /nfs/dbraw/zinc/07/66/71/1367076671.db2.gz ZGKVCCATCCEMHT-DLBZAZTESA-N 1 2 328.460 3.066 20 30 EGEDLO C#CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2nc(C(C)(C)C)cs2)C1 ZINC001189925811 1367132309 /nfs/dbraw/zinc/13/23/09/1367132309.db2.gz FTXUUFMHCCOIEF-HNNXBMFYSA-N 1 2 347.528 3.277 20 30 EGEDLO C#CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2nc(C(C)(C)C)cs2)C1 ZINC001189925811 1367132311 /nfs/dbraw/zinc/13/23/11/1367132311.db2.gz FTXUUFMHCCOIEF-HNNXBMFYSA-N 1 2 347.528 3.277 20 30 EGEDLO CC/C(C)=C/C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001189995126 1367148107 /nfs/dbraw/zinc/14/81/07/1367148107.db2.gz NRYNITMODKXGTD-MXHVWWQHSA-N 1 2 329.419 3.086 20 30 EGEDLO CC/C(C)=C/C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001189995126 1367148114 /nfs/dbraw/zinc/14/81/14/1367148114.db2.gz NRYNITMODKXGTD-MXHVWWQHSA-N 1 2 329.419 3.086 20 30 EGEDLO C=CCCC(=O)NC[C@@]1(C)C[N@H+]([C@@H](C)c2ccccc2F)CCO1 ZINC001107803500 1367154441 /nfs/dbraw/zinc/15/44/41/1367154441.db2.gz AQTYYPHKBIZHBZ-KXBFYZLASA-N 1 2 334.435 3.060 20 30 EGEDLO C=CCCC(=O)NC[C@@]1(C)C[N@@H+]([C@@H](C)c2ccccc2F)CCO1 ZINC001107803500 1367154443 /nfs/dbraw/zinc/15/44/43/1367154443.db2.gz AQTYYPHKBIZHBZ-KXBFYZLASA-N 1 2 334.435 3.060 20 30 EGEDLO C[N@H+](Cc1cc(O)ccc1Cl)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190084856 1367168069 /nfs/dbraw/zinc/16/80/69/1367168069.db2.gz TUARUPMNYDAQMN-HNNXBMFYSA-N 1 2 348.874 3.128 20 30 EGEDLO C[N@@H+](Cc1cc(O)ccc1Cl)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190084856 1367168075 /nfs/dbraw/zinc/16/80/75/1367168075.db2.gz TUARUPMNYDAQMN-HNNXBMFYSA-N 1 2 348.874 3.128 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(Cl)n1 ZINC001109601534 1367224660 /nfs/dbraw/zinc/22/46/60/1367224660.db2.gz CXJHMJTUGBLJEC-ILXRZTDVSA-N 1 2 333.863 3.169 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(Cl)n1 ZINC001109601534 1367224662 /nfs/dbraw/zinc/22/46/62/1367224662.db2.gz CXJHMJTUGBLJEC-ILXRZTDVSA-N 1 2 333.863 3.169 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)cs1 ZINC001109634626 1367253876 /nfs/dbraw/zinc/25/38/76/1367253876.db2.gz SAKNWMKSKCPDQW-WCVJEAGWSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001109634626 1367253879 /nfs/dbraw/zinc/25/38/79/1367253879.db2.gz SAKNWMKSKCPDQW-WCVJEAGWSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001108072593 1367267377 /nfs/dbraw/zinc/26/73/77/1367267377.db2.gz MQGJLYZQXYPLLA-UKRRQHHQSA-N 1 2 330.476 3.183 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C2CC2)no1 ZINC001109678866 1367277361 /nfs/dbraw/zinc/27/73/61/1367277361.db2.gz KHBAAUURJAJHTB-FBVAEJEDSA-N 1 2 343.471 3.376 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C2CC2)no1 ZINC001109678866 1367277364 /nfs/dbraw/zinc/27/73/64/1367277364.db2.gz KHBAAUURJAJHTB-FBVAEJEDSA-N 1 2 343.471 3.376 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC001108148839 1367310452 /nfs/dbraw/zinc/31/04/52/1367310452.db2.gz OUSZWPCDRWCMIT-UZLBHIALSA-N 1 2 348.462 3.135 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC001108148839 1367310456 /nfs/dbraw/zinc/31/04/56/1367310456.db2.gz OUSZWPCDRWCMIT-UZLBHIALSA-N 1 2 348.462 3.135 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@]1(C)C[N@H+](Cc2ccsc2)CCO1 ZINC001108151065 1367311143 /nfs/dbraw/zinc/31/11/43/1367311143.db2.gz LUQZAMSDRHLLHR-CRAIPNDOSA-N 1 2 336.501 3.058 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@]1(C)C[N@@H+](Cc2ccsc2)CCO1 ZINC001108151065 1367311148 /nfs/dbraw/zinc/31/11/48/1367311148.db2.gz LUQZAMSDRHLLHR-CRAIPNDOSA-N 1 2 336.501 3.058 20 30 EGEDLO C=CCCCC(=O)NC[C@]1(C)C[N@H+](Cc2ccc(F)cc2C)CCO1 ZINC001108169622 1367320031 /nfs/dbraw/zinc/32/00/31/1367320031.db2.gz SJXIDRKETYIGMF-HXUWFJFHSA-N 1 2 348.462 3.198 20 30 EGEDLO C=CCCCC(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(F)cc2C)CCO1 ZINC001108169622 1367320035 /nfs/dbraw/zinc/32/00/35/1367320035.db2.gz SJXIDRKETYIGMF-HXUWFJFHSA-N 1 2 348.462 3.198 20 30 EGEDLO Cc1cc(NC[C@@H](NC(=O)C#CC(C)(C)C)C2CC2)nc(C(C)C)[nH+]1 ZINC001109843841 1367353392 /nfs/dbraw/zinc/35/33/92/1367353392.db2.gz CJKILTJBLLIHHM-MRXNPFEDSA-N 1 2 342.487 3.265 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)CC2CCCCC2)C1 ZINC001108255956 1367367027 /nfs/dbraw/zinc/36/70/27/1367367027.db2.gz PGOXRVBISWYESU-PZJWPPBQSA-N 1 2 348.531 3.213 20 30 EGEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)CC2CCCCC2)C1 ZINC001108255956 1367367035 /nfs/dbraw/zinc/36/70/35/1367367035.db2.gz PGOXRVBISWYESU-PZJWPPBQSA-N 1 2 348.531 3.213 20 30 EGEDLO C=CCC1(C(=O)N[C@H](CNc2cc[nH+]c(C)n2)C2CC2)CCCC1 ZINC001109869147 1367371608 /nfs/dbraw/zinc/37/16/08/1367371608.db2.gz LXWDIRKTBMHUAQ-MRXNPFEDSA-N 1 2 328.460 3.228 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(-c3ccco3)s2)C1 ZINC001108317454 1367388516 /nfs/dbraw/zinc/38/85/16/1367388516.db2.gz KLIUIXCLDQEFSU-SFHVURJKSA-N 1 2 346.452 3.015 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(-c3ccco3)s2)C1 ZINC001108317454 1367388522 /nfs/dbraw/zinc/38/85/22/1367388522.db2.gz KLIUIXCLDQEFSU-SFHVURJKSA-N 1 2 346.452 3.015 20 30 EGEDLO CC(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109895086 1367390344 /nfs/dbraw/zinc/39/03/44/1367390344.db2.gz ZPEAZMACTIKDHH-XCLNPWKQSA-N 1 2 339.483 3.462 20 30 EGEDLO CC(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109895086 1367390348 /nfs/dbraw/zinc/39/03/48/1367390348.db2.gz ZPEAZMACTIKDHH-XCLNPWKQSA-N 1 2 339.483 3.462 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc3cc(F)ccc3s2)C1 ZINC001108390450 1367431423 /nfs/dbraw/zinc/43/14/23/1367431423.db2.gz CAGAYPGFGWKYFJ-SFHVURJKSA-N 1 2 348.443 3.047 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc3cc(F)ccc3s2)C1 ZINC001108390450 1367431427 /nfs/dbraw/zinc/43/14/27/1367431427.db2.gz CAGAYPGFGWKYFJ-SFHVURJKSA-N 1 2 348.443 3.047 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001108627659 1367506571 /nfs/dbraw/zinc/50/65/71/1367506571.db2.gz ZBBNZKTYAVPOIE-KXBFYZLASA-N 1 2 348.491 3.054 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([N@H+](C)CC(=C)Br)C1 ZINC001191912404 1367636518 /nfs/dbraw/zinc/63/65/18/1367636518.db2.gz OKIMEVXYGYJWIK-UONOGXRCSA-N 1 2 329.282 3.030 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([N@@H+](C)CC(=C)Br)C1 ZINC001191912404 1367636522 /nfs/dbraw/zinc/63/65/22/1367636522.db2.gz OKIMEVXYGYJWIK-UONOGXRCSA-N 1 2 329.282 3.030 20 30 EGEDLO C=C[C@@H](CC(=O)N[C@H](C)CN(C)c1cc[nH+]c(C)n1)c1ccccc1 ZINC001108982275 1367700380 /nfs/dbraw/zinc/70/03/80/1367700380.db2.gz YTCFKLPLEFHMDT-WBVHZDCISA-N 1 2 338.455 3.086 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1sccc1Cl ZINC001110534173 1367814079 /nfs/dbraw/zinc/81/40/79/1367814079.db2.gz SUKUDPIMZMSTAB-YUELXQCFSA-N 1 2 336.888 3.282 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1sccc1Cl ZINC001110534173 1367814085 /nfs/dbraw/zinc/81/40/85/1367814085.db2.gz SUKUDPIMZMSTAB-YUELXQCFSA-N 1 2 336.888 3.282 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H]1CNc1nc(C)[nH+]c2c1CCCC2 ZINC001110536168 1367816797 /nfs/dbraw/zinc/81/67/97/1367816797.db2.gz PBSDCRVLBWWRJK-HNNXBMFYSA-N 1 2 328.460 3.033 20 30 EGEDLO Cc1cc(NC[C@@H]2CCCN2C(=O)C#CC(C)(C)C)nc(C2CC2)[nH+]1 ZINC001110539998 1367819817 /nfs/dbraw/zinc/81/98/17/1367819817.db2.gz WUHQCIHIPAFEKY-INIZCTEOSA-N 1 2 340.471 3.115 20 30 EGEDLO C#CCC1(C(=O)N2CCC[C@H]2CNc2cc[nH+]c(C)n2)CCCCC1 ZINC001110546870 1367823298 /nfs/dbraw/zinc/82/32/98/1367823298.db2.gz RNWZVNSMYOBJLL-KRWDZBQOSA-N 1 2 340.471 3.162 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001192586459 1367826992 /nfs/dbraw/zinc/82/69/92/1367826992.db2.gz PLOKOGRHDXIQBN-HNNXBMFYSA-N 1 2 331.460 3.187 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001192586459 1367826996 /nfs/dbraw/zinc/82/69/96/1367826996.db2.gz PLOKOGRHDXIQBN-HNNXBMFYSA-N 1 2 331.460 3.187 20 30 EGEDLO CC(C)C[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001193088381 1367941944 /nfs/dbraw/zinc/94/19/44/1367941944.db2.gz UUADJIXSNGNULN-DNVCBOLYSA-N 1 2 345.462 3.412 20 30 EGEDLO CC(C)C[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001193088381 1367941945 /nfs/dbraw/zinc/94/19/45/1367941945.db2.gz UUADJIXSNGNULN-DNVCBOLYSA-N 1 2 345.462 3.412 20 30 EGEDLO C=CC(C)(C)C(=O)NCC1(C)CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001110890446 1368064751 /nfs/dbraw/zinc/06/47/51/1368064751.db2.gz SORNLYJTPJQGAO-UHFFFAOYSA-N 1 2 344.503 3.337 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)nc1 ZINC001110897776 1368071914 /nfs/dbraw/zinc/07/19/14/1368071914.db2.gz WXVKVKGUEDLCEJ-KFWWJZLASA-N 1 2 333.863 3.169 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)nc1 ZINC001110897776 1368071920 /nfs/dbraw/zinc/07/19/20/1368071920.db2.gz WXVKVKGUEDLCEJ-KFWWJZLASA-N 1 2 333.863 3.169 20 30 EGEDLO COc1ccc(C#N)c(S(=O)(=O)Nc2cc[nH+]c(C3CCC3)c2)c1 ZINC001193652798 1368086145 /nfs/dbraw/zinc/08/61/45/1368086145.db2.gz ACUKLAGRKOEMPB-UHFFFAOYSA-N 1 2 343.408 3.030 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cncc(F)c2)CC1 ZINC001110987886 1368134585 /nfs/dbraw/zinc/13/45/85/1368134585.db2.gz JNHZTIQEQLZUCD-KURKYZTESA-N 1 2 343.446 3.189 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cncc(F)c2)CC1 ZINC001110987886 1368134590 /nfs/dbraw/zinc/13/45/90/1368134590.db2.gz JNHZTIQEQLZUCD-KURKYZTESA-N 1 2 343.446 3.189 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)OCc1ccccc1)C2 ZINC001111071356 1368151876 /nfs/dbraw/zinc/15/18/76/1368151876.db2.gz WOWIJVIHLPJTIG-DDBAPUKQSA-N 1 2 348.874 3.066 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)OCc1ccccc1)C2 ZINC001111071356 1368151880 /nfs/dbraw/zinc/15/18/80/1368151880.db2.gz WOWIJVIHLPJTIG-DDBAPUKQSA-N 1 2 348.874 3.066 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)CC(F)(F)F)C2 ZINC001111285190 1368253093 /nfs/dbraw/zinc/25/30/93/1368253093.db2.gz FPQJILVKESROCC-LOWDOPEQSA-N 1 2 338.801 3.439 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)CC(F)(F)F)C2 ZINC001111285190 1368253096 /nfs/dbraw/zinc/25/30/96/1368253096.db2.gz FPQJILVKESROCC-LOWDOPEQSA-N 1 2 338.801 3.439 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3nc(C)c(C)o3)C2)CCCC1 ZINC001194531156 1368280373 /nfs/dbraw/zinc/28/03/73/1368280373.db2.gz IZNVTPMATAFTGP-KRWDZBQOSA-N 1 2 345.487 3.461 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3nc(C)c(C)o3)C2)CCCC1 ZINC001194531156 1368280376 /nfs/dbraw/zinc/28/03/76/1368280376.db2.gz IZNVTPMATAFTGP-KRWDZBQOSA-N 1 2 345.487 3.461 20 30 EGEDLO CC(C)CCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001194795301 1368325807 /nfs/dbraw/zinc/32/58/07/1368325807.db2.gz KVGGLTACSLXHQA-UHFFFAOYSA-N 1 2 331.435 3.168 20 30 EGEDLO CC(C)CCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001194795301 1368325810 /nfs/dbraw/zinc/32/58/10/1368325810.db2.gz KVGGLTACSLXHQA-UHFFFAOYSA-N 1 2 331.435 3.168 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](OC)C1CCCCC1)C2 ZINC001111527825 1368326311 /nfs/dbraw/zinc/32/63/11/1368326311.db2.gz LXODZCBSKJIGOI-WCXIOVBPSA-N 1 2 340.895 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](OC)C1CCCCC1)C2 ZINC001111527825 1368326313 /nfs/dbraw/zinc/32/63/13/1368326313.db2.gz LXODZCBSKJIGOI-WCXIOVBPSA-N 1 2 340.895 3.056 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[N@@H+]([C@@H](C)c2cc(F)ccc2F)CC1 ZINC001195754225 1368482568 /nfs/dbraw/zinc/48/25/68/1368482568.db2.gz JTTAMRAHJIGAHY-HNNXBMFYSA-N 1 2 334.410 3.220 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[N@H+]([C@@H](C)c2cc(F)ccc2F)CC1 ZINC001195754225 1368482573 /nfs/dbraw/zinc/48/25/73/1368482573.db2.gz JTTAMRAHJIGAHY-HNNXBMFYSA-N 1 2 334.410 3.220 20 30 EGEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)c1nnc(C)s1)C2 ZINC001111859029 1368509542 /nfs/dbraw/zinc/50/95/42/1368509542.db2.gz KNBSHCWDIARYDU-YEWWUXTCSA-N 1 2 348.516 3.235 20 30 EGEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)c1nnc(C)s1)C2 ZINC001111859029 1368509545 /nfs/dbraw/zinc/50/95/45/1368509545.db2.gz KNBSHCWDIARYDU-YEWWUXTCSA-N 1 2 348.516 3.235 20 30 EGEDLO C#CCCCCC(=O)N(C)CCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001112061892 1368640845 /nfs/dbraw/zinc/64/08/45/1368640845.db2.gz RSYNKHQCISUIFH-UHFFFAOYSA-N 1 2 342.487 3.141 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC001196829227 1368692304 /nfs/dbraw/zinc/69/23/04/1368692304.db2.gz FJFRMVUBGPALCS-IAGOWNOFSA-N 1 2 346.519 3.131 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC001196829227 1368692309 /nfs/dbraw/zinc/69/23/09/1368692309.db2.gz FJFRMVUBGPALCS-IAGOWNOFSA-N 1 2 346.519 3.131 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC001196829228 1368692432 /nfs/dbraw/zinc/69/24/32/1368692432.db2.gz FJFRMVUBGPALCS-IRXDYDNUSA-N 1 2 346.519 3.131 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC001196829228 1368692434 /nfs/dbraw/zinc/69/24/34/1368692434.db2.gz FJFRMVUBGPALCS-IRXDYDNUSA-N 1 2 346.519 3.131 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(F)c(F)c2)CC1 ZINC001196831198 1368693710 /nfs/dbraw/zinc/69/37/10/1368693710.db2.gz PFUVQLOTJVZFHR-HUUCEWRRSA-N 1 2 336.426 3.457 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(F)c(F)c2)CC1 ZINC001196831198 1368693714 /nfs/dbraw/zinc/69/37/14/1368693714.db2.gz PFUVQLOTJVZFHR-HUUCEWRRSA-N 1 2 336.426 3.457 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2cccc(F)c2F)CC1 ZINC001196853209 1368699011 /nfs/dbraw/zinc/69/90/11/1368699011.db2.gz HSKGDKFRSNNIQP-CABCVRRESA-N 1 2 336.426 3.457 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2cccc(F)c2F)CC1 ZINC001196853209 1368699014 /nfs/dbraw/zinc/69/90/14/1368699014.db2.gz HSKGDKFRSNNIQP-CABCVRRESA-N 1 2 336.426 3.457 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001196853769 1368699585 /nfs/dbraw/zinc/69/95/85/1368699585.db2.gz LYWYUOZHVBDQTJ-HOTGVXAUSA-N 1 2 343.446 3.190 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001196853769 1368699586 /nfs/dbraw/zinc/69/95/86/1368699586.db2.gz LYWYUOZHVBDQTJ-HOTGVXAUSA-N 1 2 343.446 3.190 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2ccnc(Cl)c2)CC1 ZINC001196854398 1368699593 /nfs/dbraw/zinc/69/95/93/1368699593.db2.gz RCFUUPIIBAYJQY-GJZGRUSLSA-N 1 2 335.879 3.228 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccnc(Cl)c2)CC1 ZINC001196854398 1368699596 /nfs/dbraw/zinc/69/95/96/1368699596.db2.gz RCFUUPIIBAYJQY-GJZGRUSLSA-N 1 2 335.879 3.228 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+](Cc2cccc(OCC)n2)CC1 ZINC001196880987 1368705527 /nfs/dbraw/zinc/70/55/27/1368705527.db2.gz ONYQPZHONCQWGQ-KRWDZBQOSA-N 1 2 345.487 3.117 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+](Cc2cccc(OCC)n2)CC1 ZINC001196880987 1368705530 /nfs/dbraw/zinc/70/55/30/1368705530.db2.gz ONYQPZHONCQWGQ-KRWDZBQOSA-N 1 2 345.487 3.117 20 30 EGEDLO C=CCCC(=O)N1CCCC[C@@H]1[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001112203048 1368712203 /nfs/dbraw/zinc/71/22/03/1368712203.db2.gz BTNQEAHSFJHDOC-QZTJIDSGSA-N 1 2 342.487 3.349 20 30 EGEDLO C=CCCCC(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001196984683 1368726191 /nfs/dbraw/zinc/72/61/91/1368726191.db2.gz KXLXSPQFDRRDHM-UHFFFAOYSA-N 1 2 328.431 3.068 20 30 EGEDLO C=CCCCC(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001196984683 1368726195 /nfs/dbraw/zinc/72/61/95/1368726195.db2.gz KXLXSPQFDRRDHM-UHFFFAOYSA-N 1 2 328.431 3.068 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[C@@]2(CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001112219743 1368728964 /nfs/dbraw/zinc/72/89/64/1368728964.db2.gz YHZQDZIRFBGQEK-XLIONFOSSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CCCC1(C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)CC1 ZINC001197055749 1368736418 /nfs/dbraw/zinc/73/64/18/1368736418.db2.gz YIKBGKFFGKXGOV-UHFFFAOYSA-N 1 2 343.496 3.400 20 30 EGEDLO C=CCCC1(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)CC1 ZINC001197055749 1368736421 /nfs/dbraw/zinc/73/64/21/1368736421.db2.gz YIKBGKFFGKXGOV-UHFFFAOYSA-N 1 2 343.496 3.400 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CCN(c3cc[nH+]c(C)n3)C[C@@H]2C)CCCC1 ZINC001112416325 1368833404 /nfs/dbraw/zinc/83/34/04/1368833404.db2.gz AZZORZSLHJAQJU-DOTOQJQBSA-N 1 2 342.487 3.253 20 30 EGEDLO CC[C@@H](C)[C@@H](C)C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001197586429 1368846080 /nfs/dbraw/zinc/84/60/80/1368846080.db2.gz GJGTYEBBUDUXPX-QZTJIDSGSA-N 1 2 344.474 3.394 20 30 EGEDLO CC[C@@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001197586429 1368846085 /nfs/dbraw/zinc/84/60/85/1368846085.db2.gz GJGTYEBBUDUXPX-QZTJIDSGSA-N 1 2 344.474 3.394 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C[C@@H]1C ZINC001112434376 1368850236 /nfs/dbraw/zinc/85/02/36/1368850236.db2.gz XOPZMRAGIFUFGV-YOEHRIQHSA-N 1 2 342.487 3.350 20 30 EGEDLO N#Cc1cccc(NC(=S)NCc2c[nH+]cn2CC2CCC2)c1 ZINC001197743919 1368887869 /nfs/dbraw/zinc/88/78/69/1368887869.db2.gz REMHXNQDTGJTQI-UHFFFAOYSA-N 1 2 325.441 3.041 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CC(C)(C)C(F)(F)F)CC1 ZINC001198002874 1368940064 /nfs/dbraw/zinc/94/00/64/1368940064.db2.gz WEJFEIQXYAXQPY-UHFFFAOYSA-N 1 2 326.790 3.252 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CC(C)(C)C(F)(F)F)CC1 ZINC001198002874 1368940070 /nfs/dbraw/zinc/94/00/70/1368940070.db2.gz WEJFEIQXYAXQPY-UHFFFAOYSA-N 1 2 326.790 3.252 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC001112671434 1368974617 /nfs/dbraw/zinc/97/46/17/1368974617.db2.gz IUDDCMIHURGJDG-HOTGVXAUSA-N 1 2 334.435 3.012 20 30 EGEDLO CC(C)(C)C#CC(=O)N1CC[NH+]([C@H]2CCc3c2cccc3F)CC1 ZINC001112837166 1369036700 /nfs/dbraw/zinc/03/67/00/1369036700.db2.gz VCOLERMKZVFSSQ-SFHVURJKSA-N 1 2 328.431 3.007 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)C1CCCC1)c1ccccc1OC ZINC001198482628 1369042274 /nfs/dbraw/zinc/04/22/74/1369042274.db2.gz RIXNOMVWRDAXKP-MRXNPFEDSA-N 1 2 336.863 3.385 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1ccccc1OC ZINC001198647364 1369081413 /nfs/dbraw/zinc/08/14/13/1369081413.db2.gz MOFJLMUYSKJNSZ-KKBFJZEXSA-N 1 2 348.874 3.241 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H](C)C1CC1)c1ccccc1OC ZINC001198648134 1369081501 /nfs/dbraw/zinc/08/15/01/1369081501.db2.gz RZTYFWYDRZBEBH-BBRMVZONSA-N 1 2 336.863 3.241 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2F)CC1)OCC ZINC001112909329 1369086190 /nfs/dbraw/zinc/08/61/90/1369086190.db2.gz OJNDTNVXWQJFKX-VQIMIIECSA-N 1 2 348.462 3.402 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)c1[nH]ccc1C)c1ccccc1OC ZINC001198704340 1369094391 /nfs/dbraw/zinc/09/43/91/1369094391.db2.gz KFUBHKRPHAAYKX-HNNXBMFYSA-N 1 2 347.846 3.145 20 30 EGEDLO C#CCC1(C(=O)N2CC[NH+]([C@@H]3CCc4c3cccc4F)CC2)CCC1 ZINC001112951153 1369105735 /nfs/dbraw/zinc/10/57/35/1369105735.db2.gz KEMWYKVOADUCSF-LJQANCHMSA-N 1 2 340.442 3.151 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)CCCC#CC)c1ccccc1OC ZINC001198856180 1369130506 /nfs/dbraw/zinc/13/05/06/1369130506.db2.gz GFXGCDHFGQIXLY-QGZVFWFLSA-N 1 2 348.874 3.388 20 30 EGEDLO C=CCSc1ncccc1C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001199745514 1369266749 /nfs/dbraw/zinc/26/67/49/1369266749.db2.gz CFMLYDZSTOMQAS-UHFFFAOYSA-N 1 2 328.441 3.211 20 30 EGEDLO CC#CCCCC(=O)N1CC[NH+](Cc2cccc(OC(C)C)c2)CC1 ZINC001113226287 1369275130 /nfs/dbraw/zinc/27/51/30/1369275130.db2.gz VIRPZWCNERTBDJ-UHFFFAOYSA-N 1 2 342.483 3.312 20 30 EGEDLO C=CCCC1(C(=O)N2CC[NH+](Cc3ccccc3N(C)C)CC2)CC1 ZINC001113310869 1369337598 /nfs/dbraw/zinc/33/75/98/1369337598.db2.gz SCJXCWUXLGLJTH-UHFFFAOYSA-N 1 2 341.499 3.143 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3cccc(COC)c3)CC2)CCC1 ZINC001113312614 1369339692 /nfs/dbraw/zinc/33/96/92/1369339692.db2.gz FEYSCMSFIDOERV-UHFFFAOYSA-N 1 2 342.483 3.224 20 30 EGEDLO C=CCOCC[NH+]1CCN(C(=O)c2cccc(C3CCCC3)c2)CC1 ZINC001113536640 1369483326 /nfs/dbraw/zinc/48/33/26/1369483326.db2.gz XYCAIMYFZSMDTE-UHFFFAOYSA-N 1 2 342.483 3.305 20 30 EGEDLO C=CCOCC[NH+]1CCN(C(=O)C(CC)(CC)c2ccccc2)CC1 ZINC001113661117 1369548824 /nfs/dbraw/zinc/54/88/24/1369548824.db2.gz DXDNFDGUOPKYOT-UHFFFAOYSA-N 1 2 344.499 3.091 20 30 EGEDLO C=CCCOCC(=O)N1CC[NH+]([C@@H](CC)c2ccc(F)cc2)CC1 ZINC001113709979 1369579784 /nfs/dbraw/zinc/57/97/84/1369579784.db2.gz AGRCNCJWZXUDCB-SFHVURJKSA-N 1 2 334.435 3.014 20 30 EGEDLO C=CCO[C@H](C)C(=O)N1CC[NH+]([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC001113713396 1369581461 /nfs/dbraw/zinc/58/14/61/1369581461.db2.gz PMAIQKMQBBVNCQ-RDTXWAMCSA-N 1 2 348.874 3.063 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001113822147 1369623664 /nfs/dbraw/zinc/62/36/64/1369623664.db2.gz LUZOSJXPFGQBTH-UKRRQHHQSA-N 1 2 330.476 3.206 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)N[C@H](CCCC)CNc1cc[nH+]c(C)n1 ZINC001114294025 1369859411 /nfs/dbraw/zinc/85/94/11/1369859411.db2.gz SFIUJQDRQQLOJG-VQIMIIECSA-N 1 2 348.491 3.101 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[C@@H]([NH2+]CC(F)(F)C(F)F)C12CCC2 ZINC001202796650 1369896003 /nfs/dbraw/zinc/89/60/03/1369896003.db2.gz YYFQATFDUVYEQW-CHWSQXEVSA-N 1 2 348.384 3.097 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]2C1 ZINC001114660697 1370012683 /nfs/dbraw/zinc/01/26/83/1370012683.db2.gz PTYPKINRXKIIHB-GVDBMIGSSA-N 1 2 342.487 3.108 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(C(C)(C)C)cs3)C[C@H]21 ZINC001114759584 1370065404 /nfs/dbraw/zinc/06/54/04/1370065404.db2.gz LJVQXEDXOLAOTQ-UOIKSKOESA-N 1 2 347.528 3.343 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(C(C)(C)C)cs3)C[C@H]21 ZINC001114759584 1370065406 /nfs/dbraw/zinc/06/54/06/1370065406.db2.gz LJVQXEDXOLAOTQ-UOIKSKOESA-N 1 2 347.528 3.343 20 30 EGEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2Cc3ccccc3C3(CCC3)C2)cc1 ZINC001325874216 1388059964 /nfs/dbraw/zinc/05/99/64/1388059964.db2.gz LBQXOMVWZCTWLB-LJQANCHMSA-N 1 2 331.419 3.022 20 30 EGEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2Cc3ccccc3C3(CCC3)C2)cc1 ZINC001325874216 1388059966 /nfs/dbraw/zinc/05/99/66/1388059966.db2.gz LBQXOMVWZCTWLB-LJQANCHMSA-N 1 2 331.419 3.022 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4csc(C)n4)C[C@H]32)CCCC1 ZINC001115364780 1370410231 /nfs/dbraw/zinc/41/02/31/1370410231.db2.gz KBMMTYPWMRUVIA-FVQHAEBGSA-N 1 2 345.512 3.134 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4csc(C)n4)C[C@H]32)CCCC1 ZINC001115364780 1370410234 /nfs/dbraw/zinc/41/02/34/1370410234.db2.gz KBMMTYPWMRUVIA-FVQHAEBGSA-N 1 2 345.512 3.134 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3csc(CCCC)n3)C[C@H]21 ZINC001187209881 1388072135 /nfs/dbraw/zinc/07/21/35/1388072135.db2.gz QSTHPVQFLJLZHM-DOTOQJQBSA-N 1 2 347.528 3.485 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](Cc3csc(CCCC)n3)C[C@H]21 ZINC001187209881 1388072137 /nfs/dbraw/zinc/07/21/37/1388072137.db2.gz QSTHPVQFLJLZHM-DOTOQJQBSA-N 1 2 347.528 3.485 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(F)c(C)c1 ZINC001205187255 1370674034 /nfs/dbraw/zinc/67/40/34/1370674034.db2.gz VRFKTBAMIZDKOA-SFHVURJKSA-N 1 2 329.419 3.170 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(F)c(C)c1 ZINC001205187255 1370674037 /nfs/dbraw/zinc/67/40/37/1370674037.db2.gz VRFKTBAMIZDKOA-SFHVURJKSA-N 1 2 329.419 3.170 20 30 EGEDLO N#Cc1cc(C[NH+]2CCN(c3ccc(F)c(F)c3)CC2)ccc1F ZINC001205455682 1370760998 /nfs/dbraw/zinc/76/09/98/1370760998.db2.gz PTHIZQDTMIPZJN-UHFFFAOYSA-N 1 2 331.341 3.298 20 30 EGEDLO CCCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206041332 1370947222 /nfs/dbraw/zinc/94/72/22/1370947222.db2.gz WYQARKIARGVSHE-CRAIPNDOSA-N 1 2 332.875 3.318 20 30 EGEDLO CCCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206041332 1370947224 /nfs/dbraw/zinc/94/72/24/1370947224.db2.gz WYQARKIARGVSHE-CRAIPNDOSA-N 1 2 332.875 3.318 20 30 EGEDLO Cc1cccn2cc(Cc3noc(-c4cccc(C#N)c4C)n3)[nH+]c12 ZINC001117547586 1371052194 /nfs/dbraw/zinc/05/21/94/1371052194.db2.gz GWUDWPGCSHWXFY-UHFFFAOYSA-N 1 2 329.363 3.464 20 30 EGEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc(CC#N)cc1F ZINC001206511210 1371078214 /nfs/dbraw/zinc/07/82/14/1371078214.db2.gz YROWNRZSOFJKIW-UHFFFAOYSA-N 1 2 340.398 3.400 20 30 EGEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)cc2Cl)C[C@H]1C ZINC001206659770 1371124175 /nfs/dbraw/zinc/12/41/75/1371124175.db2.gz QMAOFTGVWOHFPX-FIXISWKDSA-N 1 2 340.254 3.090 20 30 EGEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2Cl)C[C@H]1C ZINC001206659770 1371124178 /nfs/dbraw/zinc/12/41/78/1371124178.db2.gz QMAOFTGVWOHFPX-FIXISWKDSA-N 1 2 340.254 3.090 20 30 EGEDLO CCCC[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206927161 1371229085 /nfs/dbraw/zinc/22/90/85/1371229085.db2.gz OFUMAEHIOORHMH-QMTMVMCOSA-N 1 2 345.462 3.460 20 30 EGEDLO CCCC[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206927161 1371229087 /nfs/dbraw/zinc/22/90/87/1371229087.db2.gz OFUMAEHIOORHMH-QMTMVMCOSA-N 1 2 345.462 3.460 20 30 EGEDLO Cn1cc(C[N@@H+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)cc1C#N ZINC001207109497 1371296756 /nfs/dbraw/zinc/29/67/56/1371296756.db2.gz MSKXPRGIRSPDLJ-GOSISDBHSA-N 1 2 329.831 3.298 20 30 EGEDLO Cn1cc(C[N@H+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)cc1C#N ZINC001207109497 1371296761 /nfs/dbraw/zinc/29/67/61/1371296761.db2.gz MSKXPRGIRSPDLJ-GOSISDBHSA-N 1 2 329.831 3.298 20 30 EGEDLO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCn3c(COCC4CC4)nnc3C2)CC1 ZINC001208174184 1371618034 /nfs/dbraw/zinc/61/80/34/1371618034.db2.gz BSJDJADIKPFGAZ-GOSISDBHSA-N 1 2 342.487 3.323 20 30 EGEDLO C=C(C)[C@@H]1CC=C(C[N@H+]2CCn3c(COCC4CC4)nnc3C2)CC1 ZINC001208174184 1371618041 /nfs/dbraw/zinc/61/80/41/1371618041.db2.gz BSJDJADIKPFGAZ-GOSISDBHSA-N 1 2 342.487 3.323 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)on2)C[C@H]1C ZINC001208371217 1371740189 /nfs/dbraw/zinc/74/01/89/1371740189.db2.gz KHVPEUNSHALASP-NVXWUHKLSA-N 1 2 345.487 3.102 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)on2)C[C@H]1C ZINC001208371217 1371740191 /nfs/dbraw/zinc/74/01/91/1371740191.db2.gz KHVPEUNSHALASP-NVXWUHKLSA-N 1 2 345.487 3.102 20 30 EGEDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+]1CCCc1cccc(C#N)c1 ZINC001208854211 1371919029 /nfs/dbraw/zinc/91/90/29/1371919029.db2.gz LDBDPIKJLKXAGN-QGZVFWFLSA-N 1 2 329.444 3.390 20 30 EGEDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+]1CCCc1cccc(C#N)c1 ZINC001208854211 1371919031 /nfs/dbraw/zinc/91/90/31/1371919031.db2.gz LDBDPIKJLKXAGN-QGZVFWFLSA-N 1 2 329.444 3.390 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001208963117 1371964323 /nfs/dbraw/zinc/96/43/23/1371964323.db2.gz DPTZLLPLYQZGRZ-UKRRQHHQSA-N 1 2 335.879 3.274 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001208963117 1371964326 /nfs/dbraw/zinc/96/43/26/1371964326.db2.gz DPTZLLPLYQZGRZ-UKRRQHHQSA-N 1 2 335.879 3.274 20 30 EGEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCS[C@H](C(C)C)C1 ZINC001121624490 1372028976 /nfs/dbraw/zinc/02/89/76/1372028976.db2.gz ZVKMSFZIUGJYPW-INIZCTEOSA-N 1 2 349.548 3.028 20 30 EGEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCCCCCC1 ZINC001121713359 1372055977 /nfs/dbraw/zinc/05/59/77/1372055977.db2.gz WFQPXWBKQDQHPR-UHFFFAOYSA-N 1 2 344.507 3.162 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCc2sccc2C1 ZINC001122529361 1372267890 /nfs/dbraw/zinc/26/78/90/1372267890.db2.gz AVCHYPNHORSNBB-OAHLLOKOSA-N 1 2 343.500 3.245 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCc2sccc2C1 ZINC001122529361 1372267892 /nfs/dbraw/zinc/26/78/92/1372267892.db2.gz AVCHYPNHORSNBB-OAHLLOKOSA-N 1 2 343.500 3.245 20 30 EGEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001122536771 1372268224 /nfs/dbraw/zinc/26/82/24/1372268224.db2.gz MVTZPUQSJGJOJU-CVEARBPZSA-N 1 2 349.548 3.170 20 30 EGEDLO Cc1nc(N2C[C@H](C)O[C@@H](C)C2)cc(NC2=CC(=O)CC(C)(C)C2)[nH+]1 ZINC001210149344 1372282277 /nfs/dbraw/zinc/28/22/77/1372282277.db2.gz PKNPXWZXYWSMTK-STQMWFEESA-N 1 2 344.459 3.084 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@](C)(OC)C1 ZINC001122623062 1372285626 /nfs/dbraw/zinc/28/56/26/1372285626.db2.gz OPRRBYLUFDFNMW-LPHOPBHVSA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@](C)(OC)C1 ZINC001122623062 1372285633 /nfs/dbraw/zinc/28/56/33/1372285633.db2.gz OPRRBYLUFDFNMW-LPHOPBHVSA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)CC(F)(F)F)C1 ZINC001210356941 1372331367 /nfs/dbraw/zinc/33/13/67/1372331367.db2.gz RWDJTOWLLYHOLU-ADEWGFFLSA-N 1 2 326.790 3.154 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)CC(F)(F)F)C1 ZINC001210356941 1372331374 /nfs/dbraw/zinc/33/13/74/1372331374.db2.gz RWDJTOWLLYHOLU-ADEWGFFLSA-N 1 2 326.790 3.154 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001123066492 1372373254 /nfs/dbraw/zinc/37/32/54/1372373254.db2.gz CTXZXTZKZSWVLI-GOEBONIOSA-N 1 2 328.460 3.420 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)[C@H]1C ZINC001123068522 1372373618 /nfs/dbraw/zinc/37/36/18/1372373618.db2.gz USTVVOAPQNSSII-PBHICJAKSA-N 1 2 342.487 3.421 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@H]([NH2+]Cc3cnsn3)C2)CCCCC1 ZINC001211214176 1372504505 /nfs/dbraw/zinc/50/45/05/1372504505.db2.gz XYLLHVWKVOONFH-HNNXBMFYSA-N 1 2 348.516 3.145 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001123554930 1372505487 /nfs/dbraw/zinc/50/54/87/1372505487.db2.gz PUSBAKPSSILBBE-SJLPKXTDSA-N 1 2 342.487 3.069 20 30 EGEDLO C=C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cscn2)C[C@H]1C)c1ccccc1 ZINC001211240993 1372509983 /nfs/dbraw/zinc/50/99/83/1372509983.db2.gz FBUNRWPEVTYLHZ-FHLIZLRMSA-N 1 2 341.480 3.049 20 30 EGEDLO C=C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cscn2)C[C@H]1C)c1ccccc1 ZINC001211240993 1372509986 /nfs/dbraw/zinc/50/99/86/1372509986.db2.gz FBUNRWPEVTYLHZ-FHLIZLRMSA-N 1 2 341.480 3.049 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001123661996 1372547329 /nfs/dbraw/zinc/54/73/29/1372547329.db2.gz OCORNRBJQPAMCJ-NVXWUHKLSA-N 1 2 342.487 3.492 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[C@@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001123762149 1372580807 /nfs/dbraw/zinc/58/08/07/1372580807.db2.gz RMWJDEXWJGNZOD-ZBFHGGJFSA-N 1 2 328.460 3.325 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001123829484 1372601067 /nfs/dbraw/zinc/60/10/67/1372601067.db2.gz OKWXLKGUHYARRX-WBVHZDCISA-N 1 2 328.460 3.250 20 30 EGEDLO C=CCC1(C(=O)N2C[C@@H](Nc3cc[nH+]c(C)n3)C(C)(C)C2)CCC1 ZINC001124011853 1372657093 /nfs/dbraw/zinc/65/70/93/1372657093.db2.gz QLMXUJUSYQLZLJ-OAHLLOKOSA-N 1 2 328.460 3.180 20 30 EGEDLO Cc1cc(C#N)cc(Cl)c1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212358640 1372693975 /nfs/dbraw/zinc/69/39/75/1372693975.db2.gz VZINVSIHIISZKD-UHFFFAOYSA-N 1 2 328.803 3.495 20 30 EGEDLO Cc1c(Cl)c(C#N)ccc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212364242 1372694899 /nfs/dbraw/zinc/69/48/99/1372694899.db2.gz BKGFWAHTUQWQFQ-UHFFFAOYSA-N 1 2 328.803 3.495 20 30 EGEDLO N#Cc1cc(C(F)(F)F)ccc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212669126 1372749075 /nfs/dbraw/zinc/74/90/75/1372749075.db2.gz IBLWNNVLPSAIJF-UHFFFAOYSA-N 1 2 347.340 3.497 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H](C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001126771969 1373019466 /nfs/dbraw/zinc/01/94/66/1373019466.db2.gz DZPCARIXVKMRNX-IFXJQAMLSA-N 1 2 330.476 3.108 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C3CCCC3)no2)C1 ZINC001214741425 1373113438 /nfs/dbraw/zinc/11/34/38/1373113438.db2.gz KPQQLWCLBFTAIS-GDBMZVCRSA-N 1 2 346.475 3.020 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)/C(C)=C\CC)c2C1 ZINC001128234572 1373238695 /nfs/dbraw/zinc/23/86/95/1373238695.db2.gz IDJQEGOHQBCCCW-YVLHZVERSA-N 1 2 344.503 3.418 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)/C(C)=C\CC)c2C1 ZINC001128234572 1373238698 /nfs/dbraw/zinc/23/86/98/1373238698.db2.gz IDJQEGOHQBCCCW-YVLHZVERSA-N 1 2 344.503 3.418 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C[C@@H](CC)CCCC)c2C1 ZINC001128416721 1373264182 /nfs/dbraw/zinc/26/41/82/1373264182.db2.gz MMKZXRARJNPBBO-KRWDZBQOSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C[C@@H](CC)CCCC)c2C1 ZINC001128416721 1373264184 /nfs/dbraw/zinc/26/41/84/1373264184.db2.gz MMKZXRARJNPBBO-KRWDZBQOSA-N 1 2 346.519 3.498 20 30 EGEDLO Cc1ccc(C#N)cc1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC001129475713 1373388605 /nfs/dbraw/zinc/38/86/05/1373388605.db2.gz MZHDHESRTSBRFG-UHFFFAOYSA-N 1 2 330.391 3.042 20 30 EGEDLO Cc1c[nH+]c2cc(C(=O)Nc3cc(C)c(N(C)C)cc3C#N)ccn12 ZINC001129545895 1373396285 /nfs/dbraw/zinc/39/62/85/1373396285.db2.gz QDGAJIJLAUANCF-UHFFFAOYSA-N 1 2 333.395 3.141 20 30 EGEDLO C=CCCC[N@@H+]1Cc2cnn(C3CCN(C(=O)C4CCC4)CC3)c2C1 ZINC001130161582 1373465861 /nfs/dbraw/zinc/46/58/61/1373465861.db2.gz ZZWPUCZAAHTSBA-UHFFFAOYSA-N 1 2 342.487 3.129 20 30 EGEDLO C=CCCC[N@H+]1Cc2cnn(C3CCN(C(=O)C4CCC4)CC3)c2C1 ZINC001130161582 1373465862 /nfs/dbraw/zinc/46/58/62/1373465862.db2.gz ZZWPUCZAAHTSBA-UHFFFAOYSA-N 1 2 342.487 3.129 20 30 EGEDLO Fc1cc(O[C@H]2CC[NH2+]CC2(F)F)cc(F)c1OC(F)(F)F ZINC001218008113 1373534861 /nfs/dbraw/zinc/53/48/61/1373534861.db2.gz WYYNMSLFCUEABG-VIFPVBQESA-N 1 2 333.203 3.239 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)CCC)C[C@H](C)O2 ZINC001131682559 1373761651 /nfs/dbraw/zinc/76/16/51/1373761651.db2.gz QEUPLKCTRTWZLE-MAUKXSAKSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)CCC)C[C@H](C)O2 ZINC001131682559 1373761653 /nfs/dbraw/zinc/76/16/53/1373761653.db2.gz QEUPLKCTRTWZLE-MAUKXSAKSA-N 1 2 342.911 3.257 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001132002474 1375093653 /nfs/dbraw/zinc/09/36/53/1375093653.db2.gz KHJGJDBYUFTWTP-ZBFHGGJFSA-N 1 2 333.863 3.008 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cccc(Cl)n2)C1 ZINC001132002474 1375093655 /nfs/dbraw/zinc/09/36/55/1375093655.db2.gz KHJGJDBYUFTWTP-ZBFHGGJFSA-N 1 2 333.863 3.008 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1cc(F)ccc1F ZINC001132033600 1375108255 /nfs/dbraw/zinc/10/82/55/1375108255.db2.gz IMJQFCOOSJXCGM-WMLDXEAASA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1cc(F)ccc1F ZINC001132033600 1375108256 /nfs/dbraw/zinc/10/82/56/1375108256.db2.gz IMJQFCOOSJXCGM-WMLDXEAASA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1ccccc1C#N ZINC001132033796 1375108922 /nfs/dbraw/zinc/10/89/22/1375108922.db2.gz LGADXDYGRHRTQT-QFBILLFUSA-N 1 2 337.467 3.077 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1ccccc1C#N ZINC001132033796 1375108924 /nfs/dbraw/zinc/10/89/24/1375108924.db2.gz LGADXDYGRHRTQT-QFBILLFUSA-N 1 2 337.467 3.077 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC001132046392 1375115720 /nfs/dbraw/zinc/11/57/20/1375115720.db2.gz OEHKPXPXJQYPKX-CJNGLKHVSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC001132046392 1375115721 /nfs/dbraw/zinc/11/57/21/1375115721.db2.gz OEHKPXPXJQYPKX-CJNGLKHVSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1ccc(Cl)cc1F ZINC001132047541 1375117029 /nfs/dbraw/zinc/11/70/29/1375117029.db2.gz XXQOYCFXAMUTTM-SUMWQHHRSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1ccc(Cl)cc1F ZINC001132047541 1375117031 /nfs/dbraw/zinc/11/70/31/1375117031.db2.gz XXQOYCFXAMUTTM-SUMWQHHRSA-N 1 2 348.849 3.362 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2snnc2C)C1 ZINC001132057249 1375123342 /nfs/dbraw/zinc/12/33/42/1375123342.db2.gz LZPOGKCQCHBPKW-BBRMVZONSA-N 1 2 348.516 3.084 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2snnc2C)C1 ZINC001132057249 1375123344 /nfs/dbraw/zinc/12/33/44/1375123344.db2.gz LZPOGKCQCHBPKW-BBRMVZONSA-N 1 2 348.516 3.084 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=C)Br)C1 ZINC001132065595 1375129196 /nfs/dbraw/zinc/12/91/96/1375129196.db2.gz WNLMFCOSIRPKLB-ZIAGYGMSSA-N 1 2 329.282 3.220 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=C)Br)C1 ZINC001132065595 1375129200 /nfs/dbraw/zinc/12/92/00/1375129200.db2.gz WNLMFCOSIRPKLB-ZIAGYGMSSA-N 1 2 329.282 3.220 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001132072386 1375132888 /nfs/dbraw/zinc/13/28/88/1375132888.db2.gz KWBYEHPLTKXNCP-HOTGVXAUSA-N 1 2 345.487 3.379 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001132072386 1375132891 /nfs/dbraw/zinc/13/28/91/1375132891.db2.gz KWBYEHPLTKXNCP-HOTGVXAUSA-N 1 2 345.487 3.379 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001132071496 1375132900 /nfs/dbraw/zinc/13/29/00/1375132900.db2.gz BEQLLTHWVPVURX-SJORKVTESA-N 1 2 332.492 3.289 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001132071496 1375132901 /nfs/dbraw/zinc/13/29/01/1375132901.db2.gz BEQLLTHWVPVURX-SJORKVTESA-N 1 2 332.492 3.289 20 30 EGEDLO N#Cc1ccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(F)c1F ZINC001226018490 1375190791 /nfs/dbraw/zinc/19/07/91/1375190791.db2.gz XYOCLTUWQIFIBB-MRXNPFEDSA-N 1 2 344.361 3.116 20 30 EGEDLO N#Cc1ccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(F)c1F ZINC001226018490 1375190793 /nfs/dbraw/zinc/19/07/93/1375190793.db2.gz XYOCLTUWQIFIBB-MRXNPFEDSA-N 1 2 344.361 3.116 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001132218267 1375215740 /nfs/dbraw/zinc/21/57/40/1375215740.db2.gz OHMZESGKBVOKBW-WMLDXEAASA-N 1 2 343.446 3.379 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001132218267 1375215742 /nfs/dbraw/zinc/21/57/42/1375215742.db2.gz OHMZESGKBVOKBW-WMLDXEAASA-N 1 2 343.446 3.379 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(F)cn2)C1 ZINC001132218562 1375217006 /nfs/dbraw/zinc/21/70/06/1375217006.db2.gz RUMNWZXROBHNLG-RHSMWYFYSA-N 1 2 333.451 3.292 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(F)cn2)C1 ZINC001132218562 1375217011 /nfs/dbraw/zinc/21/70/11/1375217011.db2.gz RUMNWZXROBHNLG-RHSMWYFYSA-N 1 2 333.451 3.292 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001132227805 1375222819 /nfs/dbraw/zinc/22/28/19/1375222819.db2.gz ITHUYKXDCWWMQV-CRAIPNDOSA-N 1 2 345.487 3.344 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001132227805 1375222820 /nfs/dbraw/zinc/22/28/20/1375222820.db2.gz ITHUYKXDCWWMQV-CRAIPNDOSA-N 1 2 345.487 3.344 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3nocc3C)C2)CCC1 ZINC001132281451 1375263511 /nfs/dbraw/zinc/26/35/11/1375263511.db2.gz CERWFHBGVHGZKK-HZPDHXFCSA-N 1 2 331.460 3.199 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3nocc3C)C2)CCC1 ZINC001132281451 1375263515 /nfs/dbraw/zinc/26/35/15/1375263515.db2.gz CERWFHBGVHGZKK-HZPDHXFCSA-N 1 2 331.460 3.199 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cncc(F)c2)C1 ZINC001132330360 1375309516 /nfs/dbraw/zinc/30/95/16/1375309516.db2.gz GGNRZCRXEAZSSD-RHSMWYFYSA-N 1 2 333.451 3.292 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cncc(F)c2)C1 ZINC001132330360 1375309524 /nfs/dbraw/zinc/30/95/24/1375309524.db2.gz GGNRZCRXEAZSSD-RHSMWYFYSA-N 1 2 333.451 3.292 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cncc(F)c2)C1 ZINC001132330362 1375310439 /nfs/dbraw/zinc/31/04/39/1375310439.db2.gz GGNRZCRXEAZSSD-YOEHRIQHSA-N 1 2 333.451 3.292 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cncc(F)c2)C1 ZINC001132330362 1375310447 /nfs/dbraw/zinc/31/04/47/1375310447.db2.gz GGNRZCRXEAZSSD-YOEHRIQHSA-N 1 2 333.451 3.292 20 30 EGEDLO C/C=C(\C)C(=O)NC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC001226818747 1375341911 /nfs/dbraw/zinc/34/19/11/1375341911.db2.gz NYCJXLDMTHDCKL-CRKCGEKBSA-N 1 2 330.859 3.238 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)CC(C)=C(C)C)[C@@H]2C1 ZINC001188801290 1388379312 /nfs/dbraw/zinc/37/93/12/1388379312.db2.gz NTSMPJBCJPSUDI-LSDHHAIUSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)CC(C)=C(C)C)[C@@H]2C1 ZINC001188801290 1388379321 /nfs/dbraw/zinc/37/93/21/1388379321.db2.gz NTSMPJBCJPSUDI-LSDHHAIUSA-N 1 2 341.293 3.174 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(CC(C)C)n1 ZINC001228278505 1375539590 /nfs/dbraw/zinc/53/95/90/1375539590.db2.gz RJCMIYVHWBZFGF-HZPDHXFCSA-N 1 2 348.491 3.141 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC1CC[NH+](Cc2ccn(C(C)C)n2)CC1 ZINC001228595819 1375609547 /nfs/dbraw/zinc/60/95/47/1375609547.db2.gz AJVIBKMMLDFKJX-UHFFFAOYSA-N 1 2 332.492 3.147 20 30 EGEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)CCCC2CC2)CC1 ZINC001228737550 1375657006 /nfs/dbraw/zinc/65/70/06/1375657006.db2.gz UIGHHNSTJPWWPI-UHFFFAOYSA-N 1 2 343.446 3.358 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@H]21 ZINC001188886206 1388400275 /nfs/dbraw/zinc/40/02/75/1388400275.db2.gz URMYCPYAKOOZBT-PWXBPVBYSA-N 1 2 331.287 3.440 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@H]21 ZINC001188886206 1388400278 /nfs/dbraw/zinc/40/02/78/1388400278.db2.gz URMYCPYAKOOZBT-PWXBPVBYSA-N 1 2 331.287 3.440 20 30 EGEDLO C=CCC(C)(C)C(=O)NC1CC[NH+](Cc2ccn(C(C)C)n2)CC1 ZINC001229369661 1375821444 /nfs/dbraw/zinc/82/14/44/1375821444.db2.gz ORXGJUULYUXXQI-UHFFFAOYSA-N 1 2 332.492 3.147 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)CC[C@H](C)CC)CC1 ZINC001229714366 1375879475 /nfs/dbraw/zinc/87/94/75/1375879475.db2.gz AIBXAMARXYVNIJ-GFCCVEGCSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@H]21 ZINC001188909113 1388408063 /nfs/dbraw/zinc/40/80/63/1388408063.db2.gz NLEXHGAKTRQRKJ-GKEIVGCASA-N 1 2 331.287 3.440 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@H]21 ZINC001188909113 1388408066 /nfs/dbraw/zinc/40/80/66/1388408066.db2.gz NLEXHGAKTRQRKJ-GKEIVGCASA-N 1 2 331.287 3.440 20 30 EGEDLO C#C[C@@H]1CCC[C@@H]1Oc1ccc2c(c1)[C@H]1OCC[N@@H+](CCC)[C@@H]1CO2 ZINC001230428218 1376027927 /nfs/dbraw/zinc/02/79/27/1376027927.db2.gz VKBDIKPECRRJLL-KBMWQNTOSA-N 1 2 341.451 3.412 20 30 EGEDLO C#C[C@@H]1CCC[C@@H]1Oc1ccc2c(c1)[C@H]1OCC[N@H+](CCC)[C@@H]1CO2 ZINC001230428218 1376027935 /nfs/dbraw/zinc/02/79/35/1376027935.db2.gz VKBDIKPECRRJLL-KBMWQNTOSA-N 1 2 341.451 3.412 20 30 EGEDLO C#Cc1cccc(C[N@@H+]2CCc3onc(COc4cccnc4)c3C2)c1 ZINC001231656714 1376296061 /nfs/dbraw/zinc/29/60/61/1376296061.db2.gz FEEMRLAKAYPUQP-UHFFFAOYSA-N 1 2 345.402 3.188 20 30 EGEDLO C#Cc1cccc(C[N@H+]2CCc3onc(COc4cccnc4)c3C2)c1 ZINC001231656714 1376296066 /nfs/dbraw/zinc/29/60/66/1376296066.db2.gz FEEMRLAKAYPUQP-UHFFFAOYSA-N 1 2 345.402 3.188 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)c(Cl)c3)C[C@@H]21 ZINC001232119458 1376403784 /nfs/dbraw/zinc/40/37/84/1376403784.db2.gz ZGDXRCFDWNOLIT-ZBFHGGJFSA-N 1 2 347.846 3.263 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(C#N)c(Cl)c3)C[C@@H]21 ZINC001232119458 1376403788 /nfs/dbraw/zinc/40/37/88/1376403788.db2.gz ZGDXRCFDWNOLIT-ZBFHGGJFSA-N 1 2 347.846 3.263 20 30 EGEDLO N#Cc1ccc(O)c(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC001232678961 1376499823 /nfs/dbraw/zinc/49/98/23/1376499823.db2.gz WBGLRQBBNXCGNC-UHFFFAOYSA-N 1 2 341.842 3.235 20 30 EGEDLO N#Cc1ccc(O)c(C[NH+]2CCC(Sc3ccncc3)CC2)c1 ZINC001232678884 1376499937 /nfs/dbraw/zinc/49/99/37/1376499937.db2.gz SSGGNBDORSZRNZ-UHFFFAOYSA-N 1 2 325.437 3.416 20 30 EGEDLO N#Cc1cc[nH]c1C[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001233047469 1376560995 /nfs/dbraw/zinc/56/09/95/1376560995.db2.gz AEXFYJOGRWSTFN-UHFFFAOYSA-N 1 2 340.814 3.455 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c(O)c1 ZINC001233386692 1376634952 /nfs/dbraw/zinc/63/49/52/1376634952.db2.gz DWLRSSUWFWTYSI-SFHVURJKSA-N 1 2 330.334 3.116 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c(O)c1 ZINC001233386692 1376634961 /nfs/dbraw/zinc/63/49/61/1376634961.db2.gz DWLRSSUWFWTYSI-SFHVURJKSA-N 1 2 330.334 3.116 20 30 EGEDLO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3cncc(Cl)n3)C2)c1 ZINC001233450247 1376649193 /nfs/dbraw/zinc/64/91/93/1376649193.db2.gz MDUABPYERLOOQX-INIZCTEOSA-N 1 2 328.803 3.045 20 30 EGEDLO N#Cc1cccc(O[C@H]2CCC[N@H+](Cc3cncc(Cl)n3)C2)c1 ZINC001233450247 1376649196 /nfs/dbraw/zinc/64/91/96/1376649196.db2.gz MDUABPYERLOOQX-INIZCTEOSA-N 1 2 328.803 3.045 20 30 EGEDLO C/C=C(\C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC001233549454 1376667298 /nfs/dbraw/zinc/66/72/98/1376667298.db2.gz MQHLUVJYDYEFRU-FXZAEMTOSA-N 1 2 330.859 3.190 20 30 EGEDLO C/C=C(\C)C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001233549454 1376667304 /nfs/dbraw/zinc/66/73/04/1376667304.db2.gz MQHLUVJYDYEFRU-FXZAEMTOSA-N 1 2 330.859 3.190 20 30 EGEDLO CC[C@@H](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001233927592 1376738844 /nfs/dbraw/zinc/73/88/44/1376738844.db2.gz YPCFZPXRXMKGNI-RHSMWYFYSA-N 1 2 331.435 3.166 20 30 EGEDLO CC[C@@H](C)CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001233927592 1376738846 /nfs/dbraw/zinc/73/88/46/1376738846.db2.gz YPCFZPXRXMKGNI-RHSMWYFYSA-N 1 2 331.435 3.166 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cccc(OC)c1Cl ZINC001233946446 1376740661 /nfs/dbraw/zinc/74/06/61/1376740661.db2.gz BLLSYGZYPCKDHP-INIZCTEOSA-N 1 2 348.874 3.185 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cccc(OC)c1Cl ZINC001233946446 1376740664 /nfs/dbraw/zinc/74/06/64/1376740664.db2.gz BLLSYGZYPCKDHP-INIZCTEOSA-N 1 2 348.874 3.185 20 30 EGEDLO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC001238086883 1376994358 /nfs/dbraw/zinc/99/43/58/1376994358.db2.gz QCRJCYUISKHEKR-QRTARXTBSA-N 1 2 332.831 3.375 20 30 EGEDLO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc(C#N)cc1Cl ZINC001238086883 1376994359 /nfs/dbraw/zinc/99/43/59/1376994359.db2.gz QCRJCYUISKHEKR-QRTARXTBSA-N 1 2 332.831 3.375 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC001753072814 1440289577 /nfs/dbraw/zinc/28/95/77/1440289577.db2.gz VVTVHHHCWUZHFW-UHFFFAOYSA-N 1 2 327.255 3.172 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC001753072814 1440289578 /nfs/dbraw/zinc/28/95/78/1440289578.db2.gz VVTVHHHCWUZHFW-UHFFFAOYSA-N 1 2 327.255 3.172 20 30 EGEDLO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ncc(Cl)s1)CC2 ZINC001137107822 1377479763 /nfs/dbraw/zinc/47/97/63/1377479763.db2.gz DBWFIAKBTDNVOW-INIZCTEOSA-N 1 2 339.892 3.330 20 30 EGEDLO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ncc(Cl)s1)CC2 ZINC001137107822 1377479764 /nfs/dbraw/zinc/47/97/64/1377479764.db2.gz DBWFIAKBTDNVOW-INIZCTEOSA-N 1 2 339.892 3.330 20 30 EGEDLO COc1cc(C[N@@H+]2CCc3cc(C#N)ccc3C2)cc(F)c1OC ZINC001137501635 1377557569 /nfs/dbraw/zinc/55/75/69/1377557569.db2.gz HAOMRCUOURRNRC-UHFFFAOYSA-N 1 2 326.371 3.273 20 30 EGEDLO COc1cc(C[N@H+]2CCc3cc(C#N)ccc3C2)cc(F)c1OC ZINC001137501635 1377557572 /nfs/dbraw/zinc/55/75/72/1377557572.db2.gz HAOMRCUOURRNRC-UHFFFAOYSA-N 1 2 326.371 3.273 20 30 EGEDLO N#CCCN1CC[NH+](Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC001137955211 1377652702 /nfs/dbraw/zinc/65/27/02/1377652702.db2.gz MIMXZKUYTZFCRG-UHFFFAOYSA-N 1 2 329.391 3.330 20 30 EGEDLO C#CCOc1ccc(C[N@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)cc1 ZINC001138557592 1377741841 /nfs/dbraw/zinc/74/18/41/1377741841.db2.gz MRGRPIJAIAFSGM-SFHVURJKSA-N 1 2 329.440 3.395 20 30 EGEDLO C#CCOc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)cc1 ZINC001138557592 1377741842 /nfs/dbraw/zinc/74/18/42/1377741842.db2.gz MRGRPIJAIAFSGM-SFHVURJKSA-N 1 2 329.440 3.395 20 30 EGEDLO C#CCOc1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC001138558628 1377742261 /nfs/dbraw/zinc/74/22/61/1377742261.db2.gz BRCPWYHUAVZYQC-UHFFFAOYSA-N 1 2 338.426 3.156 20 30 EGEDLO C=C(C)COc1ccccc1C[N@H+]1Cc2nccn2C[C@@H](COC)C1 ZINC001138661327 1377764743 /nfs/dbraw/zinc/76/47/43/1377764743.db2.gz UICMEVJJOYCOGV-KRWDZBQOSA-N 1 2 341.455 3.116 20 30 EGEDLO C=C(C)COc1ccccc1C[N@@H+]1Cc2nccn2C[C@@H](COC)C1 ZINC001138661327 1377764747 /nfs/dbraw/zinc/76/47/47/1377764747.db2.gz UICMEVJJOYCOGV-KRWDZBQOSA-N 1 2 341.455 3.116 20 30 EGEDLO COc1cc(Br)cnc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC001139089979 1377827696 /nfs/dbraw/zinc/82/76/96/1377827696.db2.gz LZGIIVGCUKYDTQ-UHFFFAOYSA-N 1 2 346.228 3.356 20 30 EGEDLO COc1cc(Br)cnc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001139089979 1377827698 /nfs/dbraw/zinc/82/76/98/1377827698.db2.gz LZGIIVGCUKYDTQ-UHFFFAOYSA-N 1 2 346.228 3.356 20 30 EGEDLO Cc1nccnc1O[C@H]1CCC[N@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139692675 1377936427 /nfs/dbraw/zinc/93/64/27/1377936427.db2.gz FKETZQNBAMGDEY-HNNXBMFYSA-N 1 2 342.830 3.354 20 30 EGEDLO Cc1nccnc1O[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139692675 1377936428 /nfs/dbraw/zinc/93/64/28/1377936428.db2.gz FKETZQNBAMGDEY-HNNXBMFYSA-N 1 2 342.830 3.354 20 30 EGEDLO Cc1ccc(C[NH+]2CCN(c3ncccc3Cl)CC2)cc1C#N ZINC001139725860 1377941942 /nfs/dbraw/zinc/94/19/42/1377941942.db2.gz HAZUXJWGFGRNOQ-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3cnc(Cl)nc3)C2)cc1 ZINC001139993136 1377988558 /nfs/dbraw/zinc/98/85/58/1377988558.db2.gz CDFLAYZGTYALTD-INIZCTEOSA-N 1 2 328.803 3.045 20 30 EGEDLO N#Cc1ccc(O[C@H]2CCC[N@H+](Cc3cnc(Cl)nc3)C2)cc1 ZINC001139993136 1377988559 /nfs/dbraw/zinc/98/85/59/1377988559.db2.gz CDFLAYZGTYALTD-INIZCTEOSA-N 1 2 328.803 3.045 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1cc(F)ccc1C ZINC001140591962 1378092260 /nfs/dbraw/zinc/09/22/60/1378092260.db2.gz QRUXXAIFKAQOQL-SFHVURJKSA-N 1 2 329.419 3.170 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1cc(F)ccc1C ZINC001140591962 1378092265 /nfs/dbraw/zinc/09/22/65/1378092265.db2.gz QRUXXAIFKAQOQL-SFHVURJKSA-N 1 2 329.419 3.170 20 30 EGEDLO N#CCCCN1CC[C@@]2(CCC[N@H+]2Cc2cc(F)ccc2Cl)C1=O ZINC001273375035 1378100522 /nfs/dbraw/zinc/10/05/22/1378100522.db2.gz SSXBSFRDNJZQCU-SFHVURJKSA-N 1 2 349.837 3.350 20 30 EGEDLO N#CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(F)ccc2Cl)C1=O ZINC001273375035 1378100523 /nfs/dbraw/zinc/10/05/23/1378100523.db2.gz SSXBSFRDNJZQCU-SFHVURJKSA-N 1 2 349.837 3.350 20 30 EGEDLO CCC(=O)N(CC)C1CC[NH+](Cc2cc(F)c(C#N)c(F)c2)CC1 ZINC001140755334 1378130544 /nfs/dbraw/zinc/13/05/44/1378130544.db2.gz ANBPIACBRLLKMX-UHFFFAOYSA-N 1 2 335.398 3.059 20 30 EGEDLO N#Cc1cc(F)ccc1CN1CC[C@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001141168636 1378258611 /nfs/dbraw/zinc/25/86/11/1378258611.db2.gz RQZDUYQCVUKGJZ-KRWDZBQOSA-N 1 2 337.389 3.393 20 30 EGEDLO C#CC[NH+]1CCN(Cc2c(Br)ccc3ccccc32)CC1 ZINC001141721400 1378366066 /nfs/dbraw/zinc/36/60/66/1378366066.db2.gz VCBHRXWYTISKFE-UHFFFAOYSA-N 1 2 343.268 3.353 20 30 EGEDLO CCC[N@H+](CCC#N)Cc1cc(I)cs1 ZINC001141862309 1378387513 /nfs/dbraw/zinc/38/75/13/1378387513.db2.gz IZUDKHOTAPUDLX-UHFFFAOYSA-N 1 2 334.226 3.478 20 30 EGEDLO CCC[N@@H+](CCC#N)Cc1cc(I)cs1 ZINC001141862309 1378387514 /nfs/dbraw/zinc/38/75/14/1378387514.db2.gz IZUDKHOTAPUDLX-UHFFFAOYSA-N 1 2 334.226 3.478 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C(CC)CC)C[C@@H]1C ZINC001281652494 1378447613 /nfs/dbraw/zinc/44/76/13/1378447613.db2.gz ORJCAJMHROGMGV-JSGCOSHPSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C(CC)CC)C[C@@H]1C ZINC001281652494 1378447617 /nfs/dbraw/zinc/44/76/17/1378447617.db2.gz ORJCAJMHROGMGV-JSGCOSHPSA-N 1 2 331.298 3.300 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1n[nH]c3ccc(F)cc31)C2 ZINC001144197606 1378697193 /nfs/dbraw/zinc/69/71/93/1378697193.db2.gz VFGLJFLTMWVMIQ-HNAYVOBHSA-N 1 2 345.418 3.028 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1n[nH]c3ccc(F)cc31)C2 ZINC001144197606 1378697195 /nfs/dbraw/zinc/69/71/95/1378697195.db2.gz VFGLJFLTMWVMIQ-HNAYVOBHSA-N 1 2 345.418 3.028 20 30 EGEDLO C=C(Cc1ccccc1)C(=O)N1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001144389803 1378724127 /nfs/dbraw/zinc/72/41/27/1378724127.db2.gz CHHWDUXOZGMHCW-UHFFFAOYSA-N 1 2 335.451 3.254 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C3CC3)o1)C2 ZINC001148146258 1379124656 /nfs/dbraw/zinc/12/46/56/1379124656.db2.gz CBDBJWXCFLHVBH-OAHLLOKOSA-N 1 2 343.471 3.189 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C3CC3)o1)C2 ZINC001148146258 1379124657 /nfs/dbraw/zinc/12/46/57/1379124657.db2.gz CBDBJWXCFLHVBH-OAHLLOKOSA-N 1 2 343.471 3.189 20 30 EGEDLO C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)c1 ZINC001148616688 1379226540 /nfs/dbraw/zinc/22/65/40/1379226540.db2.gz ABGLSHKZTJZKFB-RHSMWYFYSA-N 1 2 347.409 3.259 20 30 EGEDLO C=CCC1(C(=O)N2CC3(C2)CC[N@H+](Cc2cscn2)C3)CCCC1 ZINC001148935244 1379299978 /nfs/dbraw/zinc/29/99/78/1379299978.db2.gz MNMFRYUBPLQYKQ-UHFFFAOYSA-N 1 2 345.512 3.314 20 30 EGEDLO C=CCC1(C(=O)N2CC3(C2)CC[N@@H+](Cc2cscn2)C3)CCCC1 ZINC001148935244 1379299980 /nfs/dbraw/zinc/29/99/80/1379299980.db2.gz MNMFRYUBPLQYKQ-UHFFFAOYSA-N 1 2 345.512 3.314 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C2(C)CCCCCC2)C1 ZINC001149847139 1379454877 /nfs/dbraw/zinc/45/48/77/1379454877.db2.gz AMDRRJKCHPXINL-INIZCTEOSA-N 1 2 342.911 3.307 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C2(C)CCCCCC2)C1 ZINC001149847139 1379454880 /nfs/dbraw/zinc/45/48/80/1379454880.db2.gz AMDRRJKCHPXINL-INIZCTEOSA-N 1 2 342.911 3.307 20 30 EGEDLO C=CC[C@@H](Cc1ccccc1)C(=O)NCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC001151922527 1379815624 /nfs/dbraw/zinc/81/56/24/1379815624.db2.gz AVRRWROUVVEPTO-WMZOPIPTSA-N 1 2 341.455 3.185 20 30 EGEDLO C=CCOCCCC(=O)NC[C@@H](C)[N@@H+](CC)CC=C(Cl)Cl ZINC001152584960 1379954107 /nfs/dbraw/zinc/95/41/07/1379954107.db2.gz HGVQDFHZBVAMPH-CYBMUJFWSA-N 1 2 337.291 3.115 20 30 EGEDLO C=CCOCCCC(=O)NC[C@@H](C)[N@H+](CC)CC=C(Cl)Cl ZINC001152584960 1379954106 /nfs/dbraw/zinc/95/41/06/1379954106.db2.gz HGVQDFHZBVAMPH-CYBMUJFWSA-N 1 2 337.291 3.115 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1coc(C)c1 ZINC001152955246 1379998870 /nfs/dbraw/zinc/99/88/70/1379998870.db2.gz LCBSYWIONQSXKD-CYBMUJFWSA-N 1 2 343.402 3.239 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1coc(C)c1 ZINC001152955246 1379998875 /nfs/dbraw/zinc/99/88/75/1379998875.db2.gz LCBSYWIONQSXKD-CYBMUJFWSA-N 1 2 343.402 3.239 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(F)ccc1C#N ZINC001154620110 1380319483 /nfs/dbraw/zinc/31/94/83/1380319483.db2.gz AYVKPOYMIUNFPG-CQSZACIVSA-N 1 2 331.435 3.236 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(F)ccc1C#N ZINC001154620110 1380319485 /nfs/dbraw/zinc/31/94/85/1380319485.db2.gz AYVKPOYMIUNFPG-CQSZACIVSA-N 1 2 331.435 3.236 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCC[N@H+](C)C/C(Cl)=C/Cl ZINC001755045849 1440740791 /nfs/dbraw/zinc/74/07/91/1440740791.db2.gz KTXXVTPNCQILET-GTISMEIMSA-N 1 2 349.302 3.067 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCC[N@@H+](C)C/C(Cl)=C/Cl ZINC001755045849 1440740792 /nfs/dbraw/zinc/74/07/92/1440740792.db2.gz KTXXVTPNCQILET-GTISMEIMSA-N 1 2 349.302 3.067 20 30 EGEDLO C=CCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1nc(-c2ccoc2)no1 ZINC001154957832 1380381251 /nfs/dbraw/zinc/38/12/51/1380381251.db2.gz QNYPBNCNDUUDMH-CQSZACIVSA-N 1 2 346.431 3.013 20 30 EGEDLO C=CCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc(-c2ccoc2)no1 ZINC001154957832 1380381252 /nfs/dbraw/zinc/38/12/52/1380381252.db2.gz QNYPBNCNDUUDMH-CQSZACIVSA-N 1 2 346.431 3.013 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[N@H+](CC)CC(=C)Br ZINC001155066596 1380401542 /nfs/dbraw/zinc/40/15/42/1380401542.db2.gz KRUFFXBHJICVKP-HIFRSBDPSA-N 1 2 331.298 3.324 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)Br ZINC001155066596 1380401544 /nfs/dbraw/zinc/40/15/44/1380401544.db2.gz KRUFFXBHJICVKP-HIFRSBDPSA-N 1 2 331.298 3.324 20 30 EGEDLO C=C[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1nccs1)c1ccccc1 ZINC001157047165 1380759850 /nfs/dbraw/zinc/75/98/50/1380759850.db2.gz NCJQBXMHWBCPFX-WBVHZDCISA-N 1 2 343.496 3.440 20 30 EGEDLO C=C[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nccs1)c1ccccc1 ZINC001157047165 1380759854 /nfs/dbraw/zinc/75/98/54/1380759854.db2.gz NCJQBXMHWBCPFX-WBVHZDCISA-N 1 2 343.496 3.440 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2ncc(C)o2)CCCCC1 ZINC001157236238 1380820200 /nfs/dbraw/zinc/82/02/00/1380820200.db2.gz UBDHOCOZIBJTRE-MRXNPFEDSA-N 1 2 345.487 3.283 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2ncc(C)o2)CCCCC1 ZINC001157236238 1380820204 /nfs/dbraw/zinc/82/02/04/1380820204.db2.gz UBDHOCOZIBJTRE-MRXNPFEDSA-N 1 2 345.487 3.283 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@H](C)c1nc(CC)no1 ZINC001158011545 1381102745 /nfs/dbraw/zinc/10/27/45/1381102745.db2.gz CGAKJSVBZIBYTH-HZPDHXFCSA-N 1 2 348.491 3.362 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@H](C)c1nc(CC)no1 ZINC001158011545 1381102747 /nfs/dbraw/zinc/10/27/47/1381102747.db2.gz CGAKJSVBZIBYTH-HZPDHXFCSA-N 1 2 348.491 3.362 20 30 EGEDLO N#CCc1cc[nH+]c(NC2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC001158089042 1381125726 /nfs/dbraw/zinc/12/57/26/1381125726.db2.gz PFDMEVJNKOGBCD-UHFFFAOYSA-N 1 2 335.411 3.256 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nccn1CC ZINC001158419093 1381239721 /nfs/dbraw/zinc/23/97/21/1381239721.db2.gz KHJKPENAFIGIRJ-QGZVFWFLSA-N 1 2 332.492 3.072 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nccn1CC ZINC001158419093 1381239724 /nfs/dbraw/zinc/23/97/24/1381239724.db2.gz KHJKPENAFIGIRJ-QGZVFWFLSA-N 1 2 332.492 3.072 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)CCCC)CC1 ZINC001159280716 1381749973 /nfs/dbraw/zinc/74/99/73/1381749973.db2.gz FDPAWUXCHYEICS-UHFFFAOYSA-N 1 2 329.282 3.224 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)CCCC)CC1 ZINC001159280716 1381749978 /nfs/dbraw/zinc/74/99/78/1381749978.db2.gz FDPAWUXCHYEICS-UHFFFAOYSA-N 1 2 329.282 3.224 20 30 EGEDLO C#CCCCC(=O)NCCC1=CC[N@@H+](C/C(Cl)=C\Cl)CC1 ZINC001159958123 1381951243 /nfs/dbraw/zinc/95/12/43/1381951243.db2.gz YZNADACSGRBSDP-NTCAYCPXSA-N 1 2 329.271 3.247 20 30 EGEDLO C#CCCCC(=O)NCCC1=CC[N@H+](C/C(Cl)=C\Cl)CC1 ZINC001159958123 1381951239 /nfs/dbraw/zinc/95/12/39/1381951239.db2.gz YZNADACSGRBSDP-NTCAYCPXSA-N 1 2 329.271 3.247 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@H+]([C@@H](C)c2nnc(C)s2)CC1 ZINC001160888365 1382225569 /nfs/dbraw/zinc/22/55/69/1382225569.db2.gz RPIYDIMUQKLROO-ZDUSSCGKSA-N 1 2 348.516 3.258 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nnc(C)s2)CC1 ZINC001160888365 1382225577 /nfs/dbraw/zinc/22/55/77/1382225577.db2.gz RPIYDIMUQKLROO-ZDUSSCGKSA-N 1 2 348.516 3.258 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCC1=CC[N@H+](Cc2ncc(C)o2)CC1 ZINC001160940799 1382243675 /nfs/dbraw/zinc/24/36/75/1382243675.db2.gz GKOYRYHOGDIFLM-GDBMZVCRSA-N 1 2 331.460 3.080 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCC1=CC[N@@H+](Cc2ncc(C)o2)CC1 ZINC001160940799 1382243677 /nfs/dbraw/zinc/24/36/77/1382243677.db2.gz GKOYRYHOGDIFLM-GDBMZVCRSA-N 1 2 331.460 3.080 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2cc(C)on2)CC1 ZINC001160962087 1382252513 /nfs/dbraw/zinc/25/25/13/1382252513.db2.gz YYYDIXFYKQVPDU-HNNXBMFYSA-N 1 2 331.460 3.224 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2cc(C)on2)CC1 ZINC001160962087 1382252515 /nfs/dbraw/zinc/25/25/15/1382252515.db2.gz YYYDIXFYKQVPDU-HNNXBMFYSA-N 1 2 331.460 3.224 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nc(C)no2)CC1 ZINC001160967284 1382254637 /nfs/dbraw/zinc/25/46/37/1382254637.db2.gz DUKDSCXYSJRUHP-GOEBONIOSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@H+]([C@@H](C)c2nc(C)no2)CC1 ZINC001160967284 1382254640 /nfs/dbraw/zinc/25/46/40/1382254640.db2.gz DUKDSCXYSJRUHP-GOEBONIOSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C1CC(C)(C(=O)NCCC2=CC[N@H+]([C@@H](C)c3ncccn3)CC2)C1 ZINC001161173916 1382325639 /nfs/dbraw/zinc/32/56/39/1382325639.db2.gz YPGADVCOQRSMAG-INIZCTEOSA-N 1 2 340.471 3.032 20 30 EGEDLO C=C1CC(C)(C(=O)NCCC2=CC[N@@H+]([C@@H](C)c3ncccn3)CC2)C1 ZINC001161173916 1382325641 /nfs/dbraw/zinc/32/56/41/1382325641.db2.gz YPGADVCOQRSMAG-INIZCTEOSA-N 1 2 340.471 3.032 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1=CC[N@H+]([C@H](C)c2nc(C)no2)CC1 ZINC001161343788 1382376084 /nfs/dbraw/zinc/37/60/84/1382376084.db2.gz TUMHFRZMTJOIDT-CQSZACIVSA-N 1 2 346.475 3.180 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1=CC[N@@H+]([C@H](C)c2nc(C)no2)CC1 ZINC001161343788 1382376089 /nfs/dbraw/zinc/37/60/89/1382376089.db2.gz TUMHFRZMTJOIDT-CQSZACIVSA-N 1 2 346.475 3.180 20 30 EGEDLO CC(C)n1c[nH+]cc1CNC(F)(F)c1ccc(Cl)nc1C#N ZINC001161562991 1382439861 /nfs/dbraw/zinc/43/98/61/1382439861.db2.gz LLKADLZIHSFQKF-UHFFFAOYSA-N 1 2 325.750 3.223 20 30 EGEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCCOC(C)C)[nH+]1 ZINC001161789257 1382507057 /nfs/dbraw/zinc/50/70/57/1382507057.db2.gz MNMCZPWRJGPKDJ-VLBBBODESA-N 1 2 325.478 3.108 20 30 EGEDLO C=CCO[C@H](C)C(=O)NCCC1=CC[N@H+](C/C(Cl)=C/Cl)CC1 ZINC001161972590 1382578994 /nfs/dbraw/zinc/57/89/94/1382578994.db2.gz GOUANPXUVGZDCL-LKKYZFDUSA-N 1 2 347.286 3.035 20 30 EGEDLO C=CCO[C@H](C)C(=O)NCCC1=CC[N@@H+](C/C(Cl)=C/Cl)CC1 ZINC001161972590 1382579000 /nfs/dbraw/zinc/57/90/00/1382579000.db2.gz GOUANPXUVGZDCL-LKKYZFDUSA-N 1 2 347.286 3.035 20 30 EGEDLO CCc1coc(CNc2cc(/C=N/[S@](=O)C(C)(C)C)cc(C)[nH+]2)n1 ZINC001162139042 1382636932 /nfs/dbraw/zinc/63/69/32/1382636932.db2.gz ZNEKRAYTWVUJOX-BFNDMTDDSA-N 1 2 348.472 3.434 20 30 EGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001295455829 1382646003 /nfs/dbraw/zinc/64/60/03/1382646003.db2.gz IZYPJOPHVUQWPC-CYBMUJFWSA-N 1 2 348.362 3.121 20 30 EGEDLO N#CC1(CNc2ccc(-c3ccc(-n4cc[nH+]c4)cc3)nn2)CCC1 ZINC001162413188 1382750787 /nfs/dbraw/zinc/75/07/87/1382750787.db2.gz JZARPENTQDPKFM-UHFFFAOYSA-N 1 2 330.395 3.435 20 30 EGEDLO C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)C(F)C(F)(F)F ZINC001162816698 1382883975 /nfs/dbraw/zinc/88/39/75/1382883975.db2.gz BSPLTZBGZSLLKU-HNNXBMFYSA-N 1 2 346.368 3.124 20 30 EGEDLO C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](F)C(F)(F)F ZINC001162816698 1382883979 /nfs/dbraw/zinc/88/39/79/1382883979.db2.gz BSPLTZBGZSLLKU-HNNXBMFYSA-N 1 2 346.368 3.124 20 30 EGEDLO N#Cc1cc(C(F)(F)NCc2ccc3[nH+]ccn3c2)cc(Cl)n1 ZINC001163139655 1382975535 /nfs/dbraw/zinc/97/55/35/1382975535.db2.gz UIKFJSOQPGDCRC-UHFFFAOYSA-N 1 2 333.729 3.093 20 30 EGEDLO C=CCOC(=O)N1CCC2(CN(c3cc(SCC)cc[nH+]3)C2)CC1 ZINC001163869412 1383131542 /nfs/dbraw/zinc/13/15/42/1383131542.db2.gz JIZXEXCPOHEOSL-UHFFFAOYSA-N 1 2 347.484 3.418 20 30 EGEDLO C=CCN1C(=O)CC[C@]12CCCN(c1[nH+]cc(C)cc1OC)[C@H]2CC ZINC001165596668 1383313871 /nfs/dbraw/zinc/31/38/71/1383313871.db2.gz QTZPELIDVXWDBI-PXNSSMCTSA-N 1 2 343.471 3.325 20 30 EGEDLO C=CCCC1(C(=O)NCCC2(C[NH2+][C@@H](C)c3noc(C)n3)CC2)CC1 ZINC001167025731 1383522060 /nfs/dbraw/zinc/52/20/60/1383522060.db2.gz KPERVDYCEOVKDP-AWEZNQCLSA-N 1 2 346.475 3.062 20 30 EGEDLO C=C(C)CN(CC)c1cc(N2CCN(c3ccccc3)CC2)[nH+]cn1 ZINC001167050711 1383527773 /nfs/dbraw/zinc/52/77/73/1383527773.db2.gz CDQUHWFHBHWZNF-UHFFFAOYSA-N 1 2 337.471 3.206 20 30 EGEDLO C=C(C)CN(CC)c1cc(N2CCN(c3ccccc3)CC2)nc[nH+]1 ZINC001167050711 1383527776 /nfs/dbraw/zinc/52/77/76/1383527776.db2.gz CDQUHWFHBHWZNF-UHFFFAOYSA-N 1 2 337.471 3.206 20 30 EGEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NC[C@H]2C[C@H](F)C2)[nH+]1 ZINC001168236907 1383850409 /nfs/dbraw/zinc/85/04/09/1383850409.db2.gz GVVSMGDETOSYRU-DVTRODFSSA-N 1 2 325.453 3.431 20 30 EGEDLO Cc1ccc(C(=NO)Nc2c(Br)ccc3[nH+]ccn32)nc1 ZINC001169411589 1384145205 /nfs/dbraw/zinc/14/52/05/1384145205.db2.gz UDYWKXIBVZOHPX-UHFFFAOYSA-N 1 2 346.188 3.048 20 30 EGEDLO C=CCOc1ccccc1[C@@H](C)Nc1cc[nH+]c(C(=O)OC)c1C ZINC001171376423 1384506071 /nfs/dbraw/zinc/50/60/71/1384506071.db2.gz WKTZCAHVPYZMAE-CQSZACIVSA-N 1 2 326.396 3.336 20 30 EGEDLO CCC1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(C#N)ccc3F)C2)CCC1 ZINC001316949382 1384722075 /nfs/dbraw/zinc/72/20/75/1384722075.db2.gz QQHXLGRRKLTPHJ-QGZVFWFLSA-N 1 2 343.446 3.358 20 30 EGEDLO CCC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)CCC1 ZINC001316949382 1384722079 /nfs/dbraw/zinc/72/20/79/1384722079.db2.gz QQHXLGRRKLTPHJ-QGZVFWFLSA-N 1 2 343.446 3.358 20 30 EGEDLO C=C[C@@H]1C[C@@]1([NH2+]C1CCC(Oc2ccccc2)CC1)C(=O)OCC ZINC001173200318 1384934963 /nfs/dbraw/zinc/93/49/63/1384934963.db2.gz MBCSIFDZSFVDOQ-LJQPEZLNSA-N 1 2 329.440 3.474 20 30 EGEDLO C=CCOC1CCC(N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)CC1 ZINC001173326122 1384959524 /nfs/dbraw/zinc/95/95/24/1384959524.db2.gz VLKUJVTULQIMOI-JCYILVPMSA-N 1 2 328.447 3.306 20 30 EGEDLO C=CCOC1CCC([N@H+]2CC[C@H](N3CCCC3)C(F)(F)C2)CC1 ZINC001173326122 1384959525 /nfs/dbraw/zinc/95/95/25/1384959525.db2.gz VLKUJVTULQIMOI-JCYILVPMSA-N 1 2 328.447 3.306 20 30 EGEDLO C=CCOC1CCC([N@@H+]2CC[C@H](N3CCCC3)C(F)(F)C2)CC1 ZINC001173326122 1384959531 /nfs/dbraw/zinc/95/95/31/1384959531.db2.gz VLKUJVTULQIMOI-JCYILVPMSA-N 1 2 328.447 3.306 20 30 EGEDLO N#Cc1cc(Nc2ccc(N3CCC(O)CC3)[nH+]c2)ccc1Cl ZINC001174400662 1385105476 /nfs/dbraw/zinc/10/54/76/1385105476.db2.gz MZHSBODSDCKBRM-UHFFFAOYSA-N 1 2 328.803 3.311 20 30 EGEDLO N#Cc1cc(F)cc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC001174431956 1385108158 /nfs/dbraw/zinc/10/81/58/1385108158.db2.gz GQGPBSGRGBNADZ-UHFFFAOYSA-N 1 2 341.386 3.152 20 30 EGEDLO COC(=O)c1scc(C#N)c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175348361 1385260948 /nfs/dbraw/zinc/26/09/48/1385260948.db2.gz FYPMDNLQSUQFDX-UHFFFAOYSA-N 1 2 328.397 3.145 20 30 EGEDLO N#Cc1ccccc1C[NH2+][C@H](CNC(=O)c1ccc[nH]1)c1ccccc1 ZINC001317713808 1385414976 /nfs/dbraw/zinc/41/49/76/1385414976.db2.gz IMHPLYJWZFUHNR-HXUWFJFHSA-N 1 2 344.418 3.147 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001317970625 1385592736 /nfs/dbraw/zinc/59/27/36/1385592736.db2.gz FOVUMMAEVCHANT-KRWDZBQOSA-N 1 2 343.471 3.401 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC001317970625 1385592738 /nfs/dbraw/zinc/59/27/38/1385592738.db2.gz FOVUMMAEVCHANT-KRWDZBQOSA-N 1 2 343.471 3.401 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@@H+](Cc3ccc(C)c(C)c3)[C@H]2C1 ZINC001176955399 1385754218 /nfs/dbraw/zinc/75/42/18/1385754218.db2.gz SMFOUNLAQBMZIT-PMACEKPBSA-N 1 2 342.483 3.071 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@H+](Cc3ccc(C)c(C)c3)[C@H]2C1 ZINC001176955399 1385754223 /nfs/dbraw/zinc/75/42/23/1385754223.db2.gz SMFOUNLAQBMZIT-PMACEKPBSA-N 1 2 342.483 3.071 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2OCC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001177107271 1385814874 /nfs/dbraw/zinc/81/48/74/1385814874.db2.gz PJVIFYNGFZJCPK-RTBURBONSA-N 1 2 342.483 3.091 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2OCC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001177107271 1385814877 /nfs/dbraw/zinc/81/48/77/1385814877.db2.gz PJVIFYNGFZJCPK-RTBURBONSA-N 1 2 342.483 3.091 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)CCC(C)(F)F ZINC001320019924 1386456891 /nfs/dbraw/zinc/45/68/91/1386456891.db2.gz FVRYCLCSGGDBQT-UHFFFAOYSA-N 1 2 341.377 3.023 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)CCC(C)(F)F ZINC001320019924 1386456895 /nfs/dbraw/zinc/45/68/95/1386456895.db2.gz FVRYCLCSGGDBQT-UHFFFAOYSA-N 1 2 341.377 3.023 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]([NH2+]Cc2nc(CCCC)no2)[C@@H]1C ZINC001179384823 1386470005 /nfs/dbraw/zinc/47/00/05/1386470005.db2.gz XMLMKSCMRGNQIV-JYJNAYRXSA-N 1 2 348.491 3.094 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc(F)cc2cccnc21 ZINC001320053858 1386477349 /nfs/dbraw/zinc/47/73/49/1386477349.db2.gz BNNXQMHUROLLKP-UHFFFAOYSA-N 1 2 335.810 3.130 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc(F)cc2cccnc21 ZINC001320053858 1386477351 /nfs/dbraw/zinc/47/73/51/1386477351.db2.gz BNNXQMHUROLLKP-UHFFFAOYSA-N 1 2 335.810 3.130 20 30 EGEDLO Cc1cc(C[NH+]2CCN(C(=O)OCc3ccccc3)CC2)ccc1C#N ZINC001180558705 1386835361 /nfs/dbraw/zinc/83/53/61/1386835361.db2.gz QNYFBMVPWUQKFK-UHFFFAOYSA-N 1 2 349.434 3.321 20 30 EGEDLO CC[NH+](CC)[C@@H](C(=O)N(CCC#N)CCC#N)c1ccccc1Cl ZINC001182220825 1387123910 /nfs/dbraw/zinc/12/39/10/1387123910.db2.gz NXOJONRSUFVYHM-QGZVFWFLSA-N 1 2 346.862 3.379 20 30 EGEDLO N#CC1(C(=O)N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)CCCCC1 ZINC001336603468 1389125123 /nfs/dbraw/zinc/12/51/23/1389125123.db2.gz ZROCZQGCNUUEBC-INIZCTEOSA-N 1 2 331.847 3.287 20 30 EGEDLO COc1cc(OC)c2ncc(C#N)c(NCc3[nH]c(C)c(C)[nH+]3)c2c1 ZINC001336710478 1389143043 /nfs/dbraw/zinc/14/30/43/1389143043.db2.gz HQSRXYQERFRXLE-UHFFFAOYSA-N 1 2 337.383 3.076 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001338749719 1389751827 /nfs/dbraw/zinc/75/18/27/1389751827.db2.gz SMUKNOVGTRWCKI-CVEARBPZSA-N 1 2 331.508 3.493 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001338749719 1389751832 /nfs/dbraw/zinc/75/18/32/1389751832.db2.gz SMUKNOVGTRWCKI-CVEARBPZSA-N 1 2 331.508 3.493 20 30 EGEDLO C=CCC[C@H]1CCCN1c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1CC ZINC001340442427 1390289770 /nfs/dbraw/zinc/28/97/70/1390289770.db2.gz OIJHCZAMHDKLDZ-DLBZAZTESA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCC[C@H]1CCCN1c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1CC ZINC001340442427 1390289772 /nfs/dbraw/zinc/28/97/72/1390289772.db2.gz OIJHCZAMHDKLDZ-DLBZAZTESA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCCC[C@@H]1CC(C)C ZINC001340594960 1390324078 /nfs/dbraw/zinc/32/40/78/1390324078.db2.gz WJICHOZJYHXCIL-MRXNPFEDSA-N 1 2 342.491 3.193 20 30 EGEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H](C(C)(C)C)C1 ZINC001340733741 1390355547 /nfs/dbraw/zinc/35/55/47/1390355547.db2.gz SNGIJDBUFWXFJF-OAHLLOKOSA-N 1 2 342.491 3.051 20 30 EGEDLO CC[C@H](C)N(CC)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC ZINC001341036548 1390429591 /nfs/dbraw/zinc/42/95/91/1390429591.db2.gz PVGIRGGXHDDRNC-HNNXBMFYSA-N 1 2 332.496 3.016 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1nccs1 ZINC001342224114 1390587361 /nfs/dbraw/zinc/58/73/61/1390587361.db2.gz DGHKNBGOHPAJEY-AWEZNQCLSA-N 1 2 346.504 3.104 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)Cc1nccs1 ZINC001342224114 1390587362 /nfs/dbraw/zinc/58/73/62/1390587362.db2.gz DGHKNBGOHPAJEY-AWEZNQCLSA-N 1 2 346.504 3.104 20 30 EGEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)CCCC ZINC001342675369 1390640241 /nfs/dbraw/zinc/64/02/41/1390640241.db2.gz SZEALIMYTLKIPG-UHFFFAOYSA-N 1 2 344.507 3.184 20 30 EGEDLO C=CCOc1cccc(NC(=O)N2CCC(c3c[nH+]cn3C)CC2)c1 ZINC001345819359 1390886862 /nfs/dbraw/zinc/88/68/62/1390886862.db2.gz MCSSMYMONWIAHL-UHFFFAOYSA-N 1 2 340.427 3.396 20 30 EGEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)[C@H](C)CCC ZINC001346657708 1390967046 /nfs/dbraw/zinc/96/70/46/1390967046.db2.gz OYIBYPPIHNRNSV-SJORKVTESA-N 1 2 349.523 3.261 20 30 EGEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)[C@H](C)CCC ZINC001346657708 1390967047 /nfs/dbraw/zinc/96/70/47/1390967047.db2.gz OYIBYPPIHNRNSV-SJORKVTESA-N 1 2 349.523 3.261 20 30 EGEDLO C=CCC[C@H]1CCCN1c1nnc([C@H]2CCC[N@H+]2C)n1CC1CC1 ZINC001347967401 1391152183 /nfs/dbraw/zinc/15/21/83/1391152183.db2.gz VEMGDLSVAYEDFL-DLBZAZTESA-N 1 2 329.492 3.390 20 30 EGEDLO C=CCC[C@H]1CCCN1c1nnc([C@H]2CCC[N@@H+]2C)n1CC1CC1 ZINC001347967401 1391152186 /nfs/dbraw/zinc/15/21/86/1391152186.db2.gz VEMGDLSVAYEDFL-DLBZAZTESA-N 1 2 329.492 3.390 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)C(C)(C)C1CC1 ZINC001488650185 1391695140 /nfs/dbraw/zinc/69/51/40/1391695140.db2.gz FCJNKUQTBZBSEA-AWEZNQCLSA-N 1 2 331.485 3.089 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)C(C)(C)C1CC1 ZINC001488650185 1391695141 /nfs/dbraw/zinc/69/51/41/1391695141.db2.gz FCJNKUQTBZBSEA-AWEZNQCLSA-N 1 2 331.485 3.089 20 30 EGEDLO C[C@H](C#N)C(=O)N(C)C1CC[NH+](Cc2nc(C(C)(C)C)cs2)CC1 ZINC001490402012 1394215324 /nfs/dbraw/zinc/21/53/24/1394215324.db2.gz HJHAHUXNFSCOOL-CYBMUJFWSA-N 1 2 348.516 3.023 20 30 EGEDLO CCC(CC)CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001490568530 1394266800 /nfs/dbraw/zinc/26/68/00/1394266800.db2.gz RAAUXHYAACJZJQ-QGZVFWFLSA-N 1 2 331.435 3.214 20 30 EGEDLO CCC(CC)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001490568530 1394266806 /nfs/dbraw/zinc/26/68/06/1394266806.db2.gz RAAUXHYAACJZJQ-QGZVFWFLSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(OCC2CC2)cc1 ZINC001485387609 1395876367 /nfs/dbraw/zinc/87/63/67/1395876367.db2.gz MCCNTTRVEFGSFX-AWEZNQCLSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(OCC2CC2)cc1 ZINC001485387609 1395876372 /nfs/dbraw/zinc/87/63/72/1395876372.db2.gz MCCNTTRVEFGSFX-AWEZNQCLSA-N 1 2 336.863 3.278 20 30 EGEDLO CCCC1(C(=O)N(C)CC[N@H+](C)Cc2cc(C#N)ccc2F)CC1 ZINC001698994786 1406789787 /nfs/dbraw/zinc/78/97/87/1406789787.db2.gz STQWKJAABNJZFO-UHFFFAOYSA-N 1 2 331.435 3.168 20 30 EGEDLO CCCC1(C(=O)N(C)CC[N@@H+](C)Cc2cc(C#N)ccc2F)CC1 ZINC001698994786 1406789790 /nfs/dbraw/zinc/78/97/90/1406789790.db2.gz STQWKJAABNJZFO-UHFFFAOYSA-N 1 2 331.435 3.168 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1c[nH]c2cc(C)ccc12 ZINC001698999286 1406803111 /nfs/dbraw/zinc/80/31/11/1406803111.db2.gz HWNMTGKCWKGSAF-UHFFFAOYSA-N 1 2 333.863 3.162 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1c[nH]c2cc(C)ccc12 ZINC001698999286 1406803116 /nfs/dbraw/zinc/80/31/16/1406803116.db2.gz HWNMTGKCWKGSAF-UHFFFAOYSA-N 1 2 333.863 3.162 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccc2nc(C)ccc2c1 ZINC001698999299 1406803377 /nfs/dbraw/zinc/80/33/77/1406803377.db2.gz IFJJMWYETYIRGX-UHFFFAOYSA-N 1 2 331.847 3.300 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccc2nc(C)ccc2c1 ZINC001698999299 1406803382 /nfs/dbraw/zinc/80/33/82/1406803382.db2.gz IFJJMWYETYIRGX-UHFFFAOYSA-N 1 2 331.847 3.300 20 30 EGEDLO Cc1ccc(C(=O)N(C)CC[N@H+](C)Cc2ccc(C#N)cc2F)cc1 ZINC001699001816 1406814093 /nfs/dbraw/zinc/81/40/93/1406814093.db2.gz BHALQSUFNIYRNZ-UHFFFAOYSA-N 1 2 339.414 3.210 20 30 EGEDLO Cc1ccc(C(=O)N(C)CC[N@@H+](C)Cc2ccc(C#N)cc2F)cc1 ZINC001699001816 1406814099 /nfs/dbraw/zinc/81/40/99/1406814099.db2.gz BHALQSUFNIYRNZ-UHFFFAOYSA-N 1 2 339.414 3.210 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2OCC)C1 ZINC001690085177 1404291825 /nfs/dbraw/zinc/29/18/25/1404291825.db2.gz HLVXUJQJRVIVSH-CQSZACIVSA-N 1 2 336.863 3.395 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[N@H+](Cc2c(Cl)cccc2OCC)C1 ZINC001690085177 1404291826 /nfs/dbraw/zinc/29/18/26/1404291826.db2.gz HLVXUJQJRVIVSH-CQSZACIVSA-N 1 2 336.863 3.395 20 30 EGEDLO C[C@@]1(NC(=O)C2(F)CCCC2)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001699818616 1413237585 /nfs/dbraw/zinc/23/75/85/1413237585.db2.gz MHJKHNJBOCREJN-GOSISDBHSA-N 1 2 347.409 3.060 20 30 EGEDLO C[C@@]1(NC(=O)C2(F)CCCC2)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001699818616 1413237590 /nfs/dbraw/zinc/23/75/90/1413237590.db2.gz MHJKHNJBOCREJN-GOSISDBHSA-N 1 2 347.409 3.060 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N(C)CC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001732592976 1428818777 /nfs/dbraw/zinc/81/87/77/1428818777.db2.gz QSVZFJHVTROQTR-NVXWUHKLSA-N 1 2 331.435 3.024 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001732592976 1428818786 /nfs/dbraw/zinc/81/87/86/1428818786.db2.gz QSVZFJHVTROQTR-NVXWUHKLSA-N 1 2 331.435 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(-c2ccccc2)on1 ZINC001733042621 1429173242 /nfs/dbraw/zinc/17/32/42/1429173242.db2.gz DRVVQTYMYMKBCC-CYBMUJFWSA-N 1 2 333.819 3.144 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(-c2ccccc2)on1 ZINC001733042621 1429173251 /nfs/dbraw/zinc/17/32/51/1429173251.db2.gz DRVVQTYMYMKBCC-CYBMUJFWSA-N 1 2 333.819 3.144 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)CCC(C)C)C1 ZINC001713387915 1417998767 /nfs/dbraw/zinc/99/87/67/1417998767.db2.gz OCCAMHHCGJFLDM-AWEZNQCLSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)CCC(C)C)C1 ZINC001713387915 1417998770 /nfs/dbraw/zinc/99/87/70/1417998770.db2.gz OCCAMHHCGJFLDM-AWEZNQCLSA-N 1 2 331.298 3.254 20 30 EGEDLO C[C@H](C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F)c1cccs1 ZINC001713467145 1418130784 /nfs/dbraw/zinc/13/07/84/1418130784.db2.gz ZXTHJKAYLITGIW-ZDUSSCGKSA-N 1 2 345.443 3.111 20 30 EGEDLO C[C@H](C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F)c1cccs1 ZINC001713467145 1418130787 /nfs/dbraw/zinc/13/07/87/1418130787.db2.gz ZXTHJKAYLITGIW-ZDUSSCGKSA-N 1 2 345.443 3.111 20 30 EGEDLO C[N@H+](CCNC(=O)[C@H]1CCCCC1(C)C)Cc1cc(C#N)ccc1F ZINC001713477974 1418160877 /nfs/dbraw/zinc/16/08/77/1418160877.db2.gz LLGALJBNQBZFEB-QGZVFWFLSA-N 1 2 345.462 3.462 20 30 EGEDLO C[N@@H+](CCNC(=O)[C@H]1CCCCC1(C)C)Cc1cc(C#N)ccc1F ZINC001713477974 1418160881 /nfs/dbraw/zinc/16/08/81/1418160881.db2.gz LLGALJBNQBZFEB-QGZVFWFLSA-N 1 2 345.462 3.462 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCC1 ZINC001713503417 1418224102 /nfs/dbraw/zinc/22/41/02/1418224102.db2.gz PWYOXAZPPXLJKE-CQSZACIVSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCC1 ZINC001713503417 1418224109 /nfs/dbraw/zinc/22/41/09/1418224109.db2.gz PWYOXAZPPXLJKE-CQSZACIVSA-N 1 2 329.282 3.056 20 30 EGEDLO CCc1ccsc1C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001714572566 1419305662 /nfs/dbraw/zinc/30/56/62/1419305662.db2.gz MEWSEWWRCHOWIG-UHFFFAOYSA-N 1 2 345.443 3.183 20 30 EGEDLO CCc1ccsc1C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001714572566 1419305665 /nfs/dbraw/zinc/30/56/65/1419305665.db2.gz MEWSEWWRCHOWIG-UHFFFAOYSA-N 1 2 345.443 3.183 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccnc(-c2ccco2)c1 ZINC001714585656 1419327634 /nfs/dbraw/zinc/32/76/34/1419327634.db2.gz LQSDMCJKUWZNLV-UHFFFAOYSA-N 1 2 333.819 3.146 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccnc(-c2ccco2)c1 ZINC001714585656 1419327637 /nfs/dbraw/zinc/32/76/37/1419327637.db2.gz LQSDMCJKUWZNLV-UHFFFAOYSA-N 1 2 333.819 3.146 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccc(Cl)cc1 ZINC001714617762 1419381941 /nfs/dbraw/zinc/38/19/41/1419381941.db2.gz DFDLLOUAVQPTNT-CQSZACIVSA-N 1 2 343.254 3.052 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)COc1ccc(Cl)cc1 ZINC001714617762 1419381944 /nfs/dbraw/zinc/38/19/44/1419381944.db2.gz DFDLLOUAVQPTNT-CQSZACIVSA-N 1 2 343.254 3.052 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cn(C(C)C)cn2)C1 ZINC001714872621 1419604108 /nfs/dbraw/zinc/60/41/08/1419604108.db2.gz UTUSJPFOJNRPDH-HNNXBMFYSA-N 1 2 338.883 3.143 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cn(C(C)C)cn2)C1 ZINC001714872621 1419604110 /nfs/dbraw/zinc/60/41/10/1419604110.db2.gz UTUSJPFOJNRPDH-HNNXBMFYSA-N 1 2 338.883 3.143 20 30 EGEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)c1ccc(Cl)o1 ZINC001715771014 1420336436 /nfs/dbraw/zinc/33/64/36/1420336436.db2.gz MYZXGSCZEGMWSW-UHFFFAOYSA-N 1 2 349.793 3.148 20 30 EGEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)c1ccc(Cl)o1 ZINC001715771014 1420336440 /nfs/dbraw/zinc/33/64/40/1420336440.db2.gz MYZXGSCZEGMWSW-UHFFFAOYSA-N 1 2 349.793 3.148 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1c(F)cccc1Cl ZINC001722905391 1424231785 /nfs/dbraw/zinc/23/17/85/1424231785.db2.gz JQZNEMOIXSQKKX-LLVKDONJSA-N 1 2 333.234 3.211 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1c(F)cccc1Cl ZINC001722905391 1424231789 /nfs/dbraw/zinc/23/17/89/1424231789.db2.gz JQZNEMOIXSQKKX-LLVKDONJSA-N 1 2 333.234 3.211 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C(CC)CC ZINC001725038468 1425460828 /nfs/dbraw/zinc/46/08/28/1425460828.db2.gz VEUVYOPUONWPEM-AWEZNQCLSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)C(CC)CC ZINC001725038468 1425460830 /nfs/dbraw/zinc/46/08/30/1425460830.db2.gz VEUVYOPUONWPEM-AWEZNQCLSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)c1ccc(F)cc1 ZINC001725188268 1425726446 /nfs/dbraw/zinc/72/64/46/1425726446.db2.gz JZRIPRZBKBMACF-ZDUSSCGKSA-N 1 2 326.843 3.292 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)c1ccc(F)cc1 ZINC001725188268 1425726448 /nfs/dbraw/zinc/72/64/48/1425726448.db2.gz JZRIPRZBKBMACF-ZDUSSCGKSA-N 1 2 326.843 3.292 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H](NC(=O)CCC2CCC2)[C@H]1C ZINC001725628143 1426294900 /nfs/dbraw/zinc/29/49/00/1426294900.db2.gz OBUUONZEBVCKKE-HIFRSBDPSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)CCC2CCC2)[C@H]1C ZINC001725628143 1426294903 /nfs/dbraw/zinc/29/49/03/1426294903.db2.gz OBUUONZEBVCKKE-HIFRSBDPSA-N 1 2 343.309 3.444 20 30 EGEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)c1cccs1)C1CC1 ZINC001731872670 1428132192 /nfs/dbraw/zinc/13/21/92/1428132192.db2.gz NDYXCWOKKKCAIC-UHFFFAOYSA-N 1 2 325.437 3.014 20 30 EGEDLO N#Cc1ccccc1C[N@H+](CCNC(=O)c1cccs1)C1CC1 ZINC001731872670 1428132197 /nfs/dbraw/zinc/13/21/97/1428132197.db2.gz NDYXCWOKKKCAIC-UHFFFAOYSA-N 1 2 325.437 3.014 20 30 EGEDLO C=C[C@H](CC)CC(=O)N(CCC)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001752439559 1440180905 /nfs/dbraw/zinc/18/09/05/1440180905.db2.gz JSYZQESJHYKRBG-QGZVFWFLSA-N 1 2 346.519 3.225 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H]([N@@H+](C)[C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC001752988459 1440258787 /nfs/dbraw/zinc/25/87/87/1440258787.db2.gz LOUPPXOTCLWWJM-GJZGRUSLSA-N 1 2 348.491 3.317 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H]([N@H+](C)[C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC001752988459 1440258788 /nfs/dbraw/zinc/25/87/88/1440258788.db2.gz LOUPPXOTCLWWJM-GJZGRUSLSA-N 1 2 348.491 3.317 20 30 EGEDLO C=CCC1(C(=O)NCC[N@@H+](CC)Cc2cc(F)ccc2C#N)CCC1 ZINC001753086624 1440296489 /nfs/dbraw/zinc/29/64/89/1440296489.db2.gz AIJXLYZBZHEYQX-UHFFFAOYSA-N 1 2 343.446 3.382 20 30 EGEDLO C=CCC1(C(=O)NCC[N@H+](CC)Cc2cc(F)ccc2C#N)CCC1 ZINC001753086624 1440296490 /nfs/dbraw/zinc/29/64/90/1440296490.db2.gz AIJXLYZBZHEYQX-UHFFFAOYSA-N 1 2 343.446 3.382 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001753308537 1440355923 /nfs/dbraw/zinc/35/59/23/1440355923.db2.gz ZGOHSBSJMQBGSK-NRSPTQNISA-N 1 2 336.479 3.316 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001753308537 1440355924 /nfs/dbraw/zinc/35/59/24/1440355924.db2.gz ZGOHSBSJMQBGSK-NRSPTQNISA-N 1 2 336.479 3.316 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2c(C)[nH]nc2Cl)C1 ZINC001753317660 1440360935 /nfs/dbraw/zinc/36/09/35/1440360935.db2.gz SOIHDOFIFYWPAY-GFCCVEGCSA-N 1 2 345.274 3.051 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2c(C)[nH]nc2Cl)C1 ZINC001753317660 1440360936 /nfs/dbraw/zinc/36/09/36/1440360936.db2.gz SOIHDOFIFYWPAY-GFCCVEGCSA-N 1 2 345.274 3.051 20 30 EGEDLO CC(C)CC(C)(C)C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001753413707 1440393796 /nfs/dbraw/zinc/39/37/96/1440393796.db2.gz MGQAZIGLZMJGMG-UHFFFAOYSA-N 1 2 344.474 3.298 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001753444186 1440403047 /nfs/dbraw/zinc/40/30/47/1440403047.db2.gz MJFOLYCEMKKVOF-QAPCUYQASA-N 1 2 335.879 3.370 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001753444186 1440403048 /nfs/dbraw/zinc/40/30/48/1440403048.db2.gz MJFOLYCEMKKVOF-QAPCUYQASA-N 1 2 335.879 3.370 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CCc2ccc(F)cc2F)C1 ZINC001753446247 1440404049 /nfs/dbraw/zinc/40/40/49/1440404049.db2.gz GTTMKLSEGPPCAM-OAHLLOKOSA-N 1 2 342.817 3.183 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CCc2ccc(F)cc2F)C1 ZINC001753446247 1440404050 /nfs/dbraw/zinc/40/40/50/1440404050.db2.gz GTTMKLSEGPPCAM-OAHLLOKOSA-N 1 2 342.817 3.183 20 30 EGEDLO C#CCCCCC(=O)N(CC)[C@@H]1CC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC001753454196 1440407477 /nfs/dbraw/zinc/40/74/77/1440407477.db2.gz FRAHHVKVKKSMPO-GOSISDBHSA-N 1 2 343.471 3.168 20 30 EGEDLO C#CCCCCC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC001753454196 1440407478 /nfs/dbraw/zinc/40/74/78/1440407478.db2.gz FRAHHVKVKKSMPO-GOSISDBHSA-N 1 2 343.471 3.168 20 30 EGEDLO C#CCCCC(=O)N(CC)[C@@H]1CC[N@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC001753455299 1440407884 /nfs/dbraw/zinc/40/78/84/1440407884.db2.gz ILDDGMSSJRUJCN-MRXNPFEDSA-N 1 2 345.487 3.198 20 30 EGEDLO C#CCCCC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC001753455299 1440407885 /nfs/dbraw/zinc/40/78/85/1440407885.db2.gz ILDDGMSSJRUJCN-MRXNPFEDSA-N 1 2 345.487 3.198 20 30 EGEDLO C[C@@H]1CC[C@H](CC(=O)N(C)CC[N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001753861035 1440511525 /nfs/dbraw/zinc/51/15/25/1440511525.db2.gz RTJKXAFTKRFDMH-CVEARBPZSA-N 1 2 345.462 3.414 20 30 EGEDLO C[C@@H]1CC[C@H](CC(=O)N(C)CC[N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001753861035 1440511526 /nfs/dbraw/zinc/51/15/26/1440511526.db2.gz RTJKXAFTKRFDMH-CVEARBPZSA-N 1 2 345.462 3.414 20 30 EGEDLO CCCc1occc1C(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001753877632 1440519924 /nfs/dbraw/zinc/51/99/24/1440519924.db2.gz YOQKWEDPLMULIH-UHFFFAOYSA-N 1 2 339.439 3.308 20 30 EGEDLO CCCc1occc1C(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC001753877632 1440519925 /nfs/dbraw/zinc/51/99/25/1440519925.db2.gz YOQKWEDPLMULIH-UHFFFAOYSA-N 1 2 339.439 3.308 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCC1([NH2+]Cc2csc(Cl)n2)CC1 ZINC001754524132 1440620518 /nfs/dbraw/zinc/62/05/18/1440620518.db2.gz VGGMHTXEQIAKNK-AWEZNQCLSA-N 1 2 327.881 3.137 20 30 EGEDLO CC(C)=C[C@H]1[C@@H](C(=O)N2CCC([N@H+](CC#N)CC3CC3)CC2)C1(C)C ZINC001754548146 1440628733 /nfs/dbraw/zinc/62/87/33/1440628733.db2.gz GHWNUZYOTVZWGI-OALUTQOASA-N 1 2 343.515 3.451 20 30 EGEDLO CC(C)=C[C@H]1[C@@H](C(=O)N2CCC([N@@H+](CC#N)CC3CC3)CC2)C1(C)C ZINC001754548146 1440628734 /nfs/dbraw/zinc/62/87/34/1440628734.db2.gz GHWNUZYOTVZWGI-OALUTQOASA-N 1 2 343.515 3.451 20 30 EGEDLO C#CCCCC(=O)N[C@]1(C)CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC001754672437 1440658353 /nfs/dbraw/zinc/65/83/53/1440658353.db2.gz IEGUIOBZSWRVHJ-GOSISDBHSA-N 1 2 336.838 3.363 20 30 EGEDLO C#CCCCC(=O)N[C@]1(C)CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC001754672437 1440658354 /nfs/dbraw/zinc/65/83/54/1440658354.db2.gz IEGUIOBZSWRVHJ-GOSISDBHSA-N 1 2 336.838 3.363 20 30 EGEDLO C=C[C@@H](C(=O)N[C@]1(C)CC[N@@H+](Cc2nocc2C)C1)c1ccccc1 ZINC001754682488 1440663123 /nfs/dbraw/zinc/66/31/23/1440663123.db2.gz MSKROQPBYCZCIQ-YLJYHZDGSA-N 1 2 339.439 3.033 20 30 EGEDLO C=C[C@@H](C(=O)N[C@]1(C)CC[N@H+](Cc2nocc2C)C1)c1ccccc1 ZINC001754682488 1440663124 /nfs/dbraw/zinc/66/31/24/1440663124.db2.gz MSKROQPBYCZCIQ-YLJYHZDGSA-N 1 2 339.439 3.033 20 30 EGEDLO CCCCCCC[NH+]1CCC(C)(CNC(=O)c2ccnnc2)CC1 ZINC001754720239 1440673002 /nfs/dbraw/zinc/67/30/02/1440673002.db2.gz KJBOBSWONJWORO-UHFFFAOYSA-N 1 2 332.492 3.279 20 30 EGEDLO C=CCC1(C(=O)NC[C@]2(C)CCC[N@H+](Cc3cnns3)C2)CCC1 ZINC001754730687 1440678992 /nfs/dbraw/zinc/67/89/92/1440678992.db2.gz LASMISUMVZBFHO-KRWDZBQOSA-N 1 2 348.516 3.003 20 30 EGEDLO C=CCC1(C(=O)NC[C@]2(C)CCC[N@@H+](Cc3cnns3)C2)CCC1 ZINC001754730687 1440678993 /nfs/dbraw/zinc/67/89/93/1440678993.db2.gz LASMISUMVZBFHO-KRWDZBQOSA-N 1 2 348.516 3.003 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)CC(C)(C)C)C[C@H]1C ZINC001755158505 1440763961 /nfs/dbraw/zinc/76/39/61/1440763961.db2.gz VZJGUSLJCDUHAK-CHWSQXEVSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)C)C[C@H]1C ZINC001755158505 1440763962 /nfs/dbraw/zinc/76/39/62/1440763962.db2.gz VZJGUSLJCDUHAK-CHWSQXEVSA-N 1 2 331.298 3.300 20 30 EGEDLO CCC1(C(=O)N[C@@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@@H](C)C2)CC1 ZINC001755162918 1440765555 /nfs/dbraw/zinc/76/55/55/1440765555.db2.gz BBYGHRNUKKJNBE-KBXCAEBGSA-N 1 2 343.446 3.357 20 30 EGEDLO CCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@@H](C)C2)CC1 ZINC001755162918 1440765556 /nfs/dbraw/zinc/76/55/56/1440765556.db2.gz BBYGHRNUKKJNBE-KBXCAEBGSA-N 1 2 343.446 3.357 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)/C=C(\C)C1CC1 ZINC001755190657 1440774534 /nfs/dbraw/zinc/77/45/34/1440774534.db2.gz WHSLPPUSEQNBIZ-SAAWKEMMSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)/C=C(\C)C1CC1 ZINC001755190657 1440774535 /nfs/dbraw/zinc/77/45/35/1440774535.db2.gz WHSLPPUSEQNBIZ-SAAWKEMMSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)CCCC1CC1 ZINC001755197780 1440777740 /nfs/dbraw/zinc/77/77/40/1440777740.db2.gz NABNQVWNGRNXNI-HNNXBMFYSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CCCC1CC1 ZINC001755197780 1440777741 /nfs/dbraw/zinc/77/77/41/1440777741.db2.gz NABNQVWNGRNXNI-HNNXBMFYSA-N 1 2 343.309 3.398 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@H]2C[N@@H+](C)[C@@H](C)c2nc(C)no2)CCC1 ZINC001755198844 1440778508 /nfs/dbraw/zinc/77/85/08/1440778508.db2.gz JBAMSZZZCDUNAR-HOCLYGCPSA-N 1 2 346.475 3.108 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@H]2C[N@H+](C)[C@@H](C)c2nc(C)no2)CCC1 ZINC001755198844 1440778509 /nfs/dbraw/zinc/77/85/09/1440778509.db2.gz JBAMSZZZCDUNAR-HOCLYGCPSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1c(C)nn(C(C)(C)C)c1C ZINC001755301860 1440808870 /nfs/dbraw/zinc/80/88/70/1440808870.db2.gz UPLPQGBJCGYBEQ-LBPRGKRZSA-N 1 2 340.899 3.058 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1c(C)nn(C(C)(C)C)c1C ZINC001755301860 1440808871 /nfs/dbraw/zinc/80/88/71/1440808871.db2.gz UPLPQGBJCGYBEQ-LBPRGKRZSA-N 1 2 340.899 3.058 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001755381655 1440839527 /nfs/dbraw/zinc/83/95/27/1440839527.db2.gz KCWDGQOYKNLLBM-XOBRGWDASA-N 1 2 343.446 3.236 20 30 EGEDLO C=CC(C)(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1nnc(C(F)F)s1 ZINC001755589322 1440881197 /nfs/dbraw/zinc/88/11/97/1440881197.db2.gz RKJCMVNDWHKRFK-SNVBAGLBSA-N 1 2 346.447 3.015 20 30 EGEDLO C=CCC1(C(=O)N(C)C[C@@H](C)[NH2+]Cc2nc(C3CC3)no2)CCCC1 ZINC001755619426 1440890098 /nfs/dbraw/zinc/89/00/98/1440890098.db2.gz DSEFPYIOTFDWOD-CQSZACIVSA-N 1 2 346.475 3.020 20 30 EGEDLO C=CCC(CC=C)C(=O)N1C[C@@H]([NH2+]Cc2nc(C(C)C)no2)C[C@@H]1C ZINC001755675389 1440894413 /nfs/dbraw/zinc/89/44/13/1440894413.db2.gz JLGRSPSYUJKPDY-HOCLYGCPSA-N 1 2 346.475 3.040 20 30 EGEDLO C=CCCC(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1coc(C3CC3)n1)CC2 ZINC001755696862 1440898300 /nfs/dbraw/zinc/89/83/00/1440898300.db2.gz POVXQRKCGMEFAL-VQIMIIECSA-N 1 2 329.444 3.131 20 30 EGEDLO C=CCCC(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1coc(C3CC3)n1)CC2 ZINC001755696862 1440898301 /nfs/dbraw/zinc/89/83/01/1440898301.db2.gz POVXQRKCGMEFAL-VQIMIIECSA-N 1 2 329.444 3.131 20 30 EGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H](OCC)c2ccccc2)CC1 ZINC001755899107 1440943349 /nfs/dbraw/zinc/94/33/49/1440943349.db2.gz IJNSDCHWIMCXNZ-GOSISDBHSA-N 1 2 348.874 3.265 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H](OCC)c2ccccc2)CC1 ZINC001755899107 1440943350 /nfs/dbraw/zinc/94/33/50/1440943350.db2.gz IJNSDCHWIMCXNZ-GOSISDBHSA-N 1 2 348.874 3.265 20 30 EGEDLO N#Cc1c(Br)cccc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000368185604 168321560 /nfs/dbraw/zinc/32/15/60/168321560.db2.gz VIWPEBSPHBMPMQ-CYBMUJFWSA-N 1 2 344.212 3.373 20 30 EGEDLO COc1ccccc1N1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000053943996 214205831 /nfs/dbraw/zinc/20/58/31/214205831.db2.gz MDZNRRWIKLZOHD-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)Cn1ncn(C2CC2)c1=S ZINC000054515972 214242811 /nfs/dbraw/zinc/24/28/11/214242811.db2.gz FYOXAMVCFCSHLF-UHFFFAOYSA-N 1 2 327.457 3.490 20 30 EGEDLO CCC[N@H+](Cc1ccc(C#N)cc1)Cn1ncn(C2CC2)c1=S ZINC000054515972 214242812 /nfs/dbraw/zinc/24/28/12/214242812.db2.gz FYOXAMVCFCSHLF-UHFFFAOYSA-N 1 2 327.457 3.490 20 30 EGEDLO C=CC[N@@H+](CCSc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066559854 215054235 /nfs/dbraw/zinc/05/42/35/215054235.db2.gz YRACBHUWWZIBOO-CQSZACIVSA-N 1 2 345.917 3.107 20 30 EGEDLO C=CC[N@H+](CCSc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066559854 215054238 /nfs/dbraw/zinc/05/42/38/215054238.db2.gz YRACBHUWWZIBOO-CQSZACIVSA-N 1 2 345.917 3.107 20 30 EGEDLO COc1ccc(OC)c2c1C[N@@H+]([C@@H](C)c1ccc(C#N)cc1)C[C@@H]2O ZINC000246268561 243221484 /nfs/dbraw/zinc/22/14/84/243221484.db2.gz AYTJEEXMTDZXGY-GUYCJALGSA-N 1 2 338.407 3.186 20 30 EGEDLO COc1ccc(OC)c2c1C[N@H+]([C@@H](C)c1ccc(C#N)cc1)C[C@@H]2O ZINC000246268561 243221492 /nfs/dbraw/zinc/22/14/92/243221492.db2.gz AYTJEEXMTDZXGY-GUYCJALGSA-N 1 2 338.407 3.186 20 30 EGEDLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)cs1 ZINC000111376263 220148825 /nfs/dbraw/zinc/14/88/25/220148825.db2.gz YLFRNYMGCFWJLP-VXGBXAGGSA-N 1 2 328.441 3.255 20 30 EGEDLO COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(C#N)ccc1F ZINC000111692747 220181720 /nfs/dbraw/zinc/18/17/20/220181720.db2.gz JOCQYHMVPDUTKU-UHFFFAOYSA-N 1 2 342.370 3.075 20 30 EGEDLO COCC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(C#N)ccc1F ZINC000111692747 220181723 /nfs/dbraw/zinc/18/17/23/220181723.db2.gz JOCQYHMVPDUTKU-UHFFFAOYSA-N 1 2 342.370 3.075 20 30 EGEDLO N#Cc1c(Cl)nsc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000268821444 252270869 /nfs/dbraw/zinc/27/08/69/252270869.db2.gz JZGUUCFZJOBRGZ-UHFFFAOYSA-N 1 2 336.823 3.129 20 30 EGEDLO CC[C@@H](CC#N)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000097377722 219019142 /nfs/dbraw/zinc/01/91/42/219019142.db2.gz NIKVBZDRMOWLTA-UXLLHSPISA-N 1 2 344.459 3.110 20 30 EGEDLO CC[C@@H](CC#N)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000097377722 219019144 /nfs/dbraw/zinc/01/91/44/219019144.db2.gz NIKVBZDRMOWLTA-UXLLHSPISA-N 1 2 344.459 3.110 20 30 EGEDLO N#Cc1cc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)ccc1F ZINC000354596890 141312419 /nfs/dbraw/zinc/31/24/19/141312419.db2.gz IVRRDAVDMQCZAN-UHFFFAOYSA-N 1 2 340.402 3.226 20 30 EGEDLO Cc1nsc(N2CC[NH+](Cc3ccc([C@H]4C[C@H]4C)o3)CC2)c1C#N ZINC000356275877 141333707 /nfs/dbraw/zinc/33/37/07/141333707.db2.gz GDZVOBMNSGIGRT-DOMZBBRYSA-N 1 2 342.468 3.362 20 30 EGEDLO Cc1nsc(N2CC[NH+](Cc3cc(C)ccc3F)CC2)c1C#N ZINC000356287508 141336768 /nfs/dbraw/zinc/33/67/68/141336768.db2.gz UFUGUMNVFFJDHN-UHFFFAOYSA-N 1 2 330.432 3.093 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[NH2+][C@H]3CCCc4c(O)cccc43)o2)cc1 ZINC000192367806 144173751 /nfs/dbraw/zinc/17/37/51/144173751.db2.gz WNFLSSLRHYZOQF-KRWDZBQOSA-N 1 2 346.390 3.481 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)c1ccc(C#N)cc1 ZINC000361730905 144356189 /nfs/dbraw/zinc/35/61/89/144356189.db2.gz DKEORLFBLZGLPT-UHFFFAOYSA-N 1 2 340.333 3.158 20 30 EGEDLO N#Cc1ccc([C@@H]([NH2+]C(c2ccccc2)c2ccccc2)C(N)=O)cc1 ZINC000115531020 152017650 /nfs/dbraw/zinc/01/76/50/152017650.db2.gz DFWKCYAWAZVMEP-OAQYLSRUSA-N 1 2 341.414 3.464 20 30 EGEDLO COc1ccc(F)cc1CN1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000119221020 152185240 /nfs/dbraw/zinc/18/52/40/152185240.db2.gz BEZOQUWNEGHFOS-UHFFFAOYSA-N 1 2 345.443 3.085 20 30 EGEDLO Cc1cc(NCc2cn3cc(Br)ccc3[nH+]2)cc(C#N)n1 ZINC000341592631 155372590 /nfs/dbraw/zinc/37/25/90/155372590.db2.gz PYHDTWWZUADCAM-UHFFFAOYSA-N 1 2 342.200 3.284 20 30 EGEDLO C[N@H+](CC(=O)Nc1cccc(Cl)c1)Cc1ccc(C#N)c(F)c1 ZINC000191900009 153228966 /nfs/dbraw/zinc/22/89/66/153228966.db2.gz QYHLXIKJUFQXCQ-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)Cc1ccc(C#N)c(F)c1 ZINC000191900009 153228967 /nfs/dbraw/zinc/22/89/67/153228967.db2.gz QYHLXIKJUFQXCQ-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000344119218 164107976 /nfs/dbraw/zinc/10/79/76/164107976.db2.gz QMROXTXVIVUBED-UHFFFAOYSA-N 1 2 343.358 3.254 20 30 EGEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000344119218 164107977 /nfs/dbraw/zinc/10/79/77/164107977.db2.gz QMROXTXVIVUBED-UHFFFAOYSA-N 1 2 343.358 3.254 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1COc2ccccc2O1 ZINC000345905020 164291767 /nfs/dbraw/zinc/29/17/67/164291767.db2.gz PEGOLHPEWNUXKV-QGZVFWFLSA-N 1 2 326.371 3.359 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1COc2ccccc2O1 ZINC000345905020 164291768 /nfs/dbraw/zinc/29/17/68/164291768.db2.gz PEGOLHPEWNUXKV-QGZVFWFLSA-N 1 2 326.371 3.359 20 30 EGEDLO C[C@@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000352199731 165281729 /nfs/dbraw/zinc/28/17/29/165281729.db2.gz CWLDONSKBCMIQS-MRXNPFEDSA-N 1 2 344.418 3.223 20 30 EGEDLO Cc1cc(CNc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)ccc1C#N ZINC000355429151 166196373 /nfs/dbraw/zinc/19/63/73/166196373.db2.gz XXCMYMFIPQXGMB-HZPDHXFCSA-N 1 2 336.439 3.487 20 30 EGEDLO Cc1cnc([C@@H](C)[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)o1 ZINC000357016932 166564158 /nfs/dbraw/zinc/56/41/58/166564158.db2.gz GUUWQPDLEUKROX-OAHLLOKOSA-N 1 2 347.422 3.286 20 30 EGEDLO Cc1cc(F)cc2c1ncc(C#N)c2NCc1cn2ccccc2[nH+]1 ZINC000359094904 167065655 /nfs/dbraw/zinc/06/56/55/167065655.db2.gz LSTDBMXNOFYEIW-UHFFFAOYSA-N 1 2 331.354 3.236 20 30 EGEDLO CC(C)n1cc[nH+]c1CNc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000359799183 167235922 /nfs/dbraw/zinc/23/59/22/167235922.db2.gz SZEPXOURNBDWAA-UHFFFAOYSA-N 1 2 340.818 3.209 20 30 EGEDLO C[C@H](C(=O)N1CC[NH+](Cc2cccs2)CC1)c1cccc(C#N)c1 ZINC000359841605 167245711 /nfs/dbraw/zinc/24/57/11/167245711.db2.gz LVASGQGLEOMJRT-HNNXBMFYSA-N 1 2 339.464 3.068 20 30 EGEDLO Cc1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1[N+](=O)[O-] ZINC000377255965 270046434 /nfs/dbraw/zinc/04/64/34/270046434.db2.gz ZPTIQJGOEMGQCN-IBGZPJMESA-N 1 2 337.379 3.348 20 30 EGEDLO Cc1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1[N+](=O)[O-] ZINC000377255965 270046435 /nfs/dbraw/zinc/04/64/35/270046435.db2.gz ZPTIQJGOEMGQCN-IBGZPJMESA-N 1 2 337.379 3.348 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411986132 270046820 /nfs/dbraw/zinc/04/68/20/270046820.db2.gz OFOCOPWOMPYIIF-HXUWFJFHSA-N 1 2 336.366 3.307 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411986132 270046822 /nfs/dbraw/zinc/04/68/22/270046822.db2.gz OFOCOPWOMPYIIF-HXUWFJFHSA-N 1 2 336.366 3.307 20 30 EGEDLO C=CC[N@@H+](Cc1c(C)nc2sc(C)nn21)Cc1cccc(C#N)c1 ZINC000271117858 265595533 /nfs/dbraw/zinc/59/55/33/265595533.db2.gz CKORXFGPQFMBQG-UHFFFAOYSA-N 1 2 337.452 3.468 20 30 EGEDLO C=CC[N@H+](Cc1c(C)nc2sc(C)nn21)Cc1cccc(C#N)c1 ZINC000271117858 265595535 /nfs/dbraw/zinc/59/55/35/265595535.db2.gz CKORXFGPQFMBQG-UHFFFAOYSA-N 1 2 337.452 3.468 20 30 EGEDLO CC[N@H+](Cc1ccc(S(C)(=O)=O)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000411195911 266136009 /nfs/dbraw/zinc/13/60/09/266136009.db2.gz WJKXYZJNTALDIF-ZDUSSCGKSA-N 1 2 332.425 3.138 20 30 EGEDLO CC[N@@H+](Cc1ccc(S(C)(=O)=O)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000411195911 266136011 /nfs/dbraw/zinc/13/60/11/266136011.db2.gz WJKXYZJNTALDIF-ZDUSSCGKSA-N 1 2 332.425 3.138 20 30 EGEDLO CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c[nH+]1 ZINC000411444396 267063149 /nfs/dbraw/zinc/06/31/49/267063149.db2.gz NAKQDQGUDNBKBR-RBUKOAKNSA-N 1 2 348.450 3.219 20 30 EGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCOC[C@@H](C)C1 ZINC000328673136 267144219 /nfs/dbraw/zinc/14/42/19/267144219.db2.gz ITIUEMYRNSPYJT-NWDGAFQWSA-N 1 2 333.457 3.053 20 30 EGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCOC[C@@H](C)C1 ZINC000328673136 267144220 /nfs/dbraw/zinc/14/42/20/267144220.db2.gz ITIUEMYRNSPYJT-NWDGAFQWSA-N 1 2 333.457 3.053 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCOCC2(CC2)C1 ZINC000329486522 267144981 /nfs/dbraw/zinc/14/49/81/267144981.db2.gz XLFQHWPUCLQWSH-GFCCVEGCSA-N 1 2 333.819 3.301 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCOCC2(CC2)C1 ZINC000329486522 267144985 /nfs/dbraw/zinc/14/49/85/267144985.db2.gz XLFQHWPUCLQWSH-GFCCVEGCSA-N 1 2 333.819 3.301 20 30 EGEDLO CC[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nnc2n1CCCCC2 ZINC000421331220 267196506 /nfs/dbraw/zinc/19/65/06/267196506.db2.gz ZQVODHONWHWINY-MRXNPFEDSA-N 1 2 327.407 3.256 20 30 EGEDLO C[C@H]1CN(c2ccc(NCc3ccc(C#N)s3)c[nH+]2)C[C@H](C)O1 ZINC000269404777 267238965 /nfs/dbraw/zinc/23/89/65/267238965.db2.gz HKPHUHUSFGXUSS-STQMWFEESA-N 1 2 328.441 3.240 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCCNc1nccc(C#N)c1[N+](=O)[O-] ZINC000301632364 267642600 /nfs/dbraw/zinc/64/26/00/267642600.db2.gz JPRZMNATZFIBFY-UHFFFAOYSA-N 1 2 336.355 3.022 20 30 EGEDLO Cc1cccc2[nH+]c(CNC(=O)N(C)[C@H](C)c3cccc(C#N)c3)cn21 ZINC000425458563 268060015 /nfs/dbraw/zinc/06/00/15/268060015.db2.gz NDRHERLNZVOBBH-OAHLLOKOSA-N 1 2 347.422 3.417 20 30 EGEDLO Cc1c[nH]c(-c2ccccc2NC(=O)CNc2ccc(C#N)cc2)[nH+]1 ZINC000427177174 268070669 /nfs/dbraw/zinc/07/06/69/268070669.db2.gz JRBRSTVBSPXETL-UHFFFAOYSA-N 1 2 331.379 3.307 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)/C=C\c1cccc(C#N)c1 ZINC000491024236 268081052 /nfs/dbraw/zinc/08/10/52/268081052.db2.gz JSLOUOHQNYWUGP-KTKRTIGZSA-N 1 2 330.391 3.046 20 30 EGEDLO N#Cc1ccc(OC2CC[NH+](Cc3cc(F)ncc3F)CC2)c(F)c1 ZINC000296003090 268166456 /nfs/dbraw/zinc/16/64/56/268166456.db2.gz KZGORTNKRAYCDD-UHFFFAOYSA-N 1 2 347.340 3.414 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)c(Cl)c1 ZINC000439449829 268217199 /nfs/dbraw/zinc/21/71/99/268217199.db2.gz JRUXUWLBKILQTJ-UONOGXRCSA-N 1 2 332.753 3.489 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)c(Cl)c1 ZINC000439449829 268217200 /nfs/dbraw/zinc/21/72/00/268217200.db2.gz JRUXUWLBKILQTJ-UONOGXRCSA-N 1 2 332.753 3.489 20 30 EGEDLO N#Cc1nc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)ccc1Cl ZINC000301173865 268324853 /nfs/dbraw/zinc/32/48/53/268324853.db2.gz YGWDBQSCPRQMTR-AWEZNQCLSA-N 1 2 348.859 3.154 20 30 EGEDLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)s1 ZINC000184995133 275214535 /nfs/dbraw/zinc/21/45/35/275214535.db2.gz QIAHBQDTVYCVPX-WDEREUQCSA-N 1 2 332.429 3.211 20 30 EGEDLO N#Cc1ccc(CNC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000255736499 308059075 /nfs/dbraw/zinc/05/90/75/308059075.db2.gz GWNOQPQYBSMDDD-YFHOEESVSA-N 1 2 328.375 3.074 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c1C#N ZINC000538039941 314225123 /nfs/dbraw/zinc/22/51/23/314225123.db2.gz PKTNFNMSSLXPRU-QGZVFWFLSA-N 1 2 338.411 3.022 20 30 EGEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c1C#N ZINC000538039941 314225125 /nfs/dbraw/zinc/22/51/25/314225125.db2.gz PKTNFNMSSLXPRU-QGZVFWFLSA-N 1 2 338.411 3.022 20 30 EGEDLO CCCC[C@H](NCc1c[nH+]c2ccc(C#N)cn12)C(=O)OC(C)(C)C ZINC000556617604 315446445 /nfs/dbraw/zinc/44/64/45/315446445.db2.gz MSCKZNUFPDXLRW-INIZCTEOSA-N 1 2 342.443 3.196 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H]1CCCS(=O)(=O)C1 ZINC000284217560 455653228 /nfs/dbraw/zinc/65/32/28/455653228.db2.gz UEWOASIRIJXWDO-LBPRGKRZSA-N 1 2 333.906 3.214 20 30 EGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@H]1CCCS(=O)(=O)C1 ZINC000284217560 455653231 /nfs/dbraw/zinc/65/32/31/455653231.db2.gz UEWOASIRIJXWDO-LBPRGKRZSA-N 1 2 333.906 3.214 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)c1C#N ZINC000580970317 325315796 /nfs/dbraw/zinc/31/57/96/325315796.db2.gz NKMAUICUHKEDEP-KUHUBIRLSA-N 1 2 335.407 3.323 20 30 EGEDLO COC(=O)c1cccc(C[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)c1C#N ZINC000580970317 325315798 /nfs/dbraw/zinc/31/57/98/325315798.db2.gz NKMAUICUHKEDEP-KUHUBIRLSA-N 1 2 335.407 3.323 20 30 EGEDLO COc1cc(OC)c2ncc(C#N)c(N[C@@H]3C[C@@H](C)n4cc[nH+]c43)c2c1 ZINC000583975520 325566258 /nfs/dbraw/zinc/56/62/58/325566258.db2.gz QOMRURPGTZOPJM-IAQYHMDHSA-N 1 2 349.394 3.438 20 30 EGEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000264531974 455231232 /nfs/dbraw/zinc/23/12/32/455231232.db2.gz ITCNQDKHNRCMGU-KGLIPLIRSA-N 1 2 343.456 3.488 20 30 EGEDLO Cc1noc(C)c1C[NH+]1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000157926569 455249626 /nfs/dbraw/zinc/24/96/26/455249626.db2.gz ZHPRUBZDBJMNAW-UHFFFAOYSA-N 1 2 343.858 3.114 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000189958304 455260491 /nfs/dbraw/zinc/26/04/91/455260491.db2.gz OIKSAXBNZJENGY-LJQANCHMSA-N 1 2 330.476 3.159 20 30 EGEDLO C[C@@]1(C#N)CCC[N@H+](CC(=O)N2CCC(Cc3ccccc3)CC2)C1 ZINC000612155052 460554412 /nfs/dbraw/zinc/55/44/12/460554412.db2.gz KLXSLBSCCOCESK-NRFANRHFSA-N 1 2 339.483 3.093 20 30 EGEDLO C[C@@]1(C#N)CCC[N@@H+](CC(=O)N2CCC(Cc3ccccc3)CC2)C1 ZINC000612155052 460554417 /nfs/dbraw/zinc/55/44/17/460554417.db2.gz KLXSLBSCCOCESK-NRFANRHFSA-N 1 2 339.483 3.093 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161503 460555714 /nfs/dbraw/zinc/55/57/14/460555714.db2.gz CDONZGJTASNJMQ-YJBOKZPZSA-N 1 2 331.485 3.277 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161503 460555719 /nfs/dbraw/zinc/55/57/19/460555719.db2.gz CDONZGJTASNJMQ-YJBOKZPZSA-N 1 2 331.485 3.277 20 30 EGEDLO CCN(C(=O)C[N@@H+]1CCC[C@](C)(C#N)C1)[C@H](C)c1ccc(F)cc1 ZINC000612162133 460556120 /nfs/dbraw/zinc/55/61/20/460556120.db2.gz KXTSYYUHMOFSGO-DNVCBOLYSA-N 1 2 331.435 3.361 20 30 EGEDLO CCN(C(=O)C[N@H+]1CCC[C@](C)(C#N)C1)[C@H](C)c1ccc(F)cc1 ZINC000612162133 460556128 /nfs/dbraw/zinc/55/61/28/460556128.db2.gz KXTSYYUHMOFSGO-DNVCBOLYSA-N 1 2 331.435 3.361 20 30 EGEDLO C[N@H+](Cc1ccccc1N1CCOCC1)Cc1cc(F)ccc1C#N ZINC000158266878 455285578 /nfs/dbraw/zinc/28/55/78/455285578.db2.gz HEWJVSQWJMJVAM-UHFFFAOYSA-N 1 2 339.414 3.166 20 30 EGEDLO C[N@@H+](Cc1ccccc1N1CCOCC1)Cc1cc(F)ccc1C#N ZINC000158266878 455285580 /nfs/dbraw/zinc/28/55/80/455285580.db2.gz HEWJVSQWJMJVAM-UHFFFAOYSA-N 1 2 339.414 3.166 20 30 EGEDLO C[C@H](C[N@H+](C)Cc1ccccc1)/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000183390661 455287606 /nfs/dbraw/zinc/28/76/06/455287606.db2.gz GKQXYOQDDLGESL-HIPSJFSSSA-N 1 2 327.384 3.240 20 30 EGEDLO C[C@H](C[N@@H+](C)Cc1ccccc1)/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000183390661 455287608 /nfs/dbraw/zinc/28/76/08/455287608.db2.gz GKQXYOQDDLGESL-HIPSJFSSSA-N 1 2 327.384 3.240 20 30 EGEDLO C[NH+](C)[C@@H](CNC(=O)C1(C#N)CCCCC1)c1c(F)cccc1F ZINC000265301880 455304562 /nfs/dbraw/zinc/30/45/62/455304562.db2.gz MOUUQJWNCFPJIE-HNNXBMFYSA-N 1 2 335.398 3.158 20 30 EGEDLO C[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(Cl)s1 ZINC000008161290 453171575 /nfs/dbraw/zinc/17/15/75/453171575.db2.gz POXNKFNJGCZNMM-UHFFFAOYSA-N 1 2 325.846 3.405 20 30 EGEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(Cl)s1 ZINC000008161290 453171582 /nfs/dbraw/zinc/17/15/82/453171582.db2.gz POXNKFNJGCZNMM-UHFFFAOYSA-N 1 2 325.846 3.405 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C(F)(F)F)C2)cc1Cl ZINC000023992375 453721772 /nfs/dbraw/zinc/72/17/72/453721772.db2.gz DJSUEEUGHGKQMT-NSHDSACASA-N 1 2 345.752 3.424 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(F)(F)F)C2)cc1Cl ZINC000023992375 453721773 /nfs/dbraw/zinc/72/17/73/453721773.db2.gz DJSUEEUGHGKQMT-NSHDSACASA-N 1 2 345.752 3.424 20 30 EGEDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2sccc2C#N)cc1 ZINC000025415067 453770614 /nfs/dbraw/zinc/77/06/14/453770614.db2.gz GLWWSCIYEHVQPB-INIZCTEOSA-N 1 2 341.436 3.404 20 30 EGEDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2sccc2C#N)cc1 ZINC000025415067 453770620 /nfs/dbraw/zinc/77/06/20/453770620.db2.gz GLWWSCIYEHVQPB-INIZCTEOSA-N 1 2 341.436 3.404 20 30 EGEDLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)Cc2cccc(C#N)c2)c1C ZINC000026327537 453796767 /nfs/dbraw/zinc/79/67/67/453796767.db2.gz GKEWDLLUSWCQDT-AWEZNQCLSA-N 1 2 337.423 3.409 20 30 EGEDLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)Cc2cccc(C#N)c2)c1C ZINC000026327537 453796769 /nfs/dbraw/zinc/79/67/69/453796769.db2.gz GKEWDLLUSWCQDT-AWEZNQCLSA-N 1 2 337.423 3.409 20 30 EGEDLO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1cccc(C#N)c1 ZINC000026329145 453796862 /nfs/dbraw/zinc/79/68/62/453796862.db2.gz ISOPWEJDSNFXGQ-UHFFFAOYSA-N 1 2 349.350 3.148 20 30 EGEDLO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1cccc(C#N)c1 ZINC000026329145 453796863 /nfs/dbraw/zinc/79/68/63/453796863.db2.gz ISOPWEJDSNFXGQ-UHFFFAOYSA-N 1 2 349.350 3.148 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)CCN1Cc1ccccc1C#N ZINC000026669560 453803816 /nfs/dbraw/zinc/80/38/16/453803816.db2.gz ARRKLICKXIWGLJ-QGZVFWFLSA-N 1 2 330.435 3.136 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CCN1Cc1ccccc1C#N ZINC000026669560 453803818 /nfs/dbraw/zinc/80/38/18/453803818.db2.gz ARRKLICKXIWGLJ-QGZVFWFLSA-N 1 2 330.435 3.136 20 30 EGEDLO C[C@@H]1CN(Cc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1C#N ZINC000026669560 453803820 /nfs/dbraw/zinc/80/38/20/453803820.db2.gz ARRKLICKXIWGLJ-QGZVFWFLSA-N 1 2 330.435 3.136 20 30 EGEDLO C[C@@H]1CN(Cc2ccccc2C#N)CC[N@H+]1Cc1ccccc1C#N ZINC000026669560 453803821 /nfs/dbraw/zinc/80/38/21/453803821.db2.gz ARRKLICKXIWGLJ-QGZVFWFLSA-N 1 2 330.435 3.136 20 30 EGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cccc(C#N)c3)n2)C1 ZINC000028682130 453824122 /nfs/dbraw/zinc/82/41/22/453824122.db2.gz ZSZNDQGOFWIRSH-ZDUSSCGKSA-N 1 2 340.452 3.499 20 30 EGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cccc(C#N)c3)n2)C1 ZINC000028682130 453824123 /nfs/dbraw/zinc/82/41/23/453824123.db2.gz ZSZNDQGOFWIRSH-ZDUSSCGKSA-N 1 2 340.452 3.499 20 30 EGEDLO CC(C)[C@H](CNC(=O)C[N@H+](CCC#N)CC1CC1)c1ccccc1 ZINC000081514639 453880259 /nfs/dbraw/zinc/88/02/59/453880259.db2.gz GOJLAQKOSSZZGQ-IBGZPJMESA-N 1 2 327.472 3.168 20 30 EGEDLO CC(C)[C@H](CNC(=O)C[N@@H+](CCC#N)CC1CC1)c1ccccc1 ZINC000081514639 453880263 /nfs/dbraw/zinc/88/02/63/453880263.db2.gz GOJLAQKOSSZZGQ-IBGZPJMESA-N 1 2 327.472 3.168 20 30 EGEDLO N#Cc1ccc(OCC[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000066850790 453880297 /nfs/dbraw/zinc/88/02/97/453880297.db2.gz RUFAFVYGMPOLDP-IBGZPJMESA-N 1 2 344.361 3.289 20 30 EGEDLO N#Cc1ccc(OCC[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000066850790 453880301 /nfs/dbraw/zinc/88/03/01/453880301.db2.gz RUFAFVYGMPOLDP-IBGZPJMESA-N 1 2 344.361 3.289 20 30 EGEDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)s1 ZINC000032739324 453887345 /nfs/dbraw/zinc/88/73/45/453887345.db2.gz DRGDMTTVGVBRTP-UHFFFAOYSA-N 1 2 339.464 3.195 20 30 EGEDLO Cc1nc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)sc1C ZINC000081649179 453900300 /nfs/dbraw/zinc/90/03/00/453900300.db2.gz LLVFTWPLMGFAOB-UHFFFAOYSA-N 1 2 330.432 3.093 20 30 EGEDLO CC1CCN(C(=O)C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000076153345 453971947 /nfs/dbraw/zinc/97/19/47/453971947.db2.gz VYTFJKKANWDKQG-OALUTQOASA-N 1 2 325.456 3.017 20 30 EGEDLO CC1CCN(C(=O)C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000076153345 453971951 /nfs/dbraw/zinc/97/19/51/453971951.db2.gz VYTFJKKANWDKQG-OALUTQOASA-N 1 2 325.456 3.017 20 30 EGEDLO CC1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000076153046 453972255 /nfs/dbraw/zinc/97/22/55/453972255.db2.gz ZTWVNBWUSSEBIF-DXBWTPJFSA-N 1 2 339.483 3.453 20 30 EGEDLO CC1CCC(NC(=O)C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000076153046 453972259 /nfs/dbraw/zinc/97/22/59/453972259.db2.gz ZTWVNBWUSSEBIF-DXBWTPJFSA-N 1 2 339.483 3.453 20 30 EGEDLO C[C@H](NC(=O)NCc1ccc(N2CCCC2)[nH+]c1)c1ccc(C#N)cc1 ZINC000042324815 454006800 /nfs/dbraw/zinc/00/68/00/454006800.db2.gz XSDPMQFQIYDQKU-HNNXBMFYSA-N 1 2 349.438 3.114 20 30 EGEDLO N#Cc1ccc(/C=C\C(=O)Nc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000055815951 454016448 /nfs/dbraw/zinc/01/64/48/454016448.db2.gz WCXWKAREHKQPTR-KTKRTIGZSA-N 1 2 347.418 3.042 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](Cc1ccco1)Cc1cccs1 ZINC000076652055 454022698 /nfs/dbraw/zinc/02/26/98/454022698.db2.gz FDOSKBRNYVZANH-HNNXBMFYSA-N 1 2 345.468 3.351 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000076652055 454022700 /nfs/dbraw/zinc/02/27/00/454022700.db2.gz FDOSKBRNYVZANH-HNNXBMFYSA-N 1 2 345.468 3.351 20 30 EGEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000044895873 454125398 /nfs/dbraw/zinc/12/53/98/454125398.db2.gz MTBREIHISOBOJS-AEFFLSMTSA-N 1 2 331.847 3.285 20 30 EGEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000044895873 454125400 /nfs/dbraw/zinc/12/54/00/454125400.db2.gz MTBREIHISOBOJS-AEFFLSMTSA-N 1 2 331.847 3.285 20 30 EGEDLO C=CC[N@@H+](CC(=O)N([C@H](C)C1CC1)C1CC1)Cc1cccc(C#N)c1 ZINC000119651474 454210221 /nfs/dbraw/zinc/21/02/21/454210221.db2.gz LHCMFFXSCQAADT-MRXNPFEDSA-N 1 2 337.467 3.336 20 30 EGEDLO C=CC[N@H+](CC(=O)N([C@H](C)C1CC1)C1CC1)Cc1cccc(C#N)c1 ZINC000119651474 454210228 /nfs/dbraw/zinc/21/02/28/454210228.db2.gz LHCMFFXSCQAADT-MRXNPFEDSA-N 1 2 337.467 3.336 20 30 EGEDLO C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc[nH+]c(C)c2)cc1 ZINC000119804099 454222093 /nfs/dbraw/zinc/22/20/93/454222093.db2.gz NRKVJWBNLHBGBD-UHFFFAOYSA-N 1 2 325.372 3.342 20 30 EGEDLO C=CC[N@@H+](CC(=O)N1C[C@H](C)O[C@@H](C)C1)Cc1ccc(Cl)s1 ZINC000078667903 454295442 /nfs/dbraw/zinc/29/54/42/454295442.db2.gz RQNJYWONQYKBJV-STQMWFEESA-N 1 2 342.892 3.025 20 30 EGEDLO C=CC[N@H+](CC(=O)N1C[C@H](C)O[C@@H](C)C1)Cc1ccc(Cl)s1 ZINC000078667903 454295448 /nfs/dbraw/zinc/29/54/48/454295448.db2.gz RQNJYWONQYKBJV-STQMWFEESA-N 1 2 342.892 3.025 20 30 EGEDLO C=CCn1c(SCCn2cc[nH+]c2)nnc1-c1ccc(C)cc1 ZINC000160182628 455435216 /nfs/dbraw/zinc/43/52/16/455435216.db2.gz MIHGRBYKPDMVJF-UHFFFAOYSA-N 1 2 325.441 3.428 20 30 EGEDLO Cc1ccccc1-c1noc([C@@H](C)O[NH+]=C(N)[C@@H](C)OCC(C)C)n1 ZINC000072921332 454363290 /nfs/dbraw/zinc/36/32/90/454363290.db2.gz IUZXTLUNXWWGJC-ZIAGYGMSSA-N 1 2 346.431 3.456 20 30 EGEDLO C=CC[N@@H+](CC(=O)N(C)Cc1cccs1)Cc1cccc(C#N)c1 ZINC000063388295 454408829 /nfs/dbraw/zinc/40/88/29/454408829.db2.gz KWGHRFJOSPVMSX-UHFFFAOYSA-N 1 2 339.464 3.266 20 30 EGEDLO C=CC[N@H+](CC(=O)N(C)Cc1cccs1)Cc1cccc(C#N)c1 ZINC000063388295 454408833 /nfs/dbraw/zinc/40/88/33/454408833.db2.gz KWGHRFJOSPVMSX-UHFFFAOYSA-N 1 2 339.464 3.266 20 30 EGEDLO N#Cc1cccc(/C=C/C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000091211689 454410492 /nfs/dbraw/zinc/41/04/92/454410492.db2.gz QFTRXNAOMOESMQ-CMDGGOBGSA-N 1 2 328.375 3.074 20 30 EGEDLO COC(=O)[C@H](c1cccc(Br)c1)[N@H+](C)CCCCC#N ZINC000122294452 454519824 /nfs/dbraw/zinc/51/98/24/454519824.db2.gz NQSUWEANNHXYHZ-AWEZNQCLSA-N 1 2 339.233 3.289 20 30 EGEDLO COC(=O)[C@H](c1cccc(Br)c1)[N@@H+](C)CCCCC#N ZINC000122294452 454519830 /nfs/dbraw/zinc/51/98/30/454519830.db2.gz NQSUWEANNHXYHZ-AWEZNQCLSA-N 1 2 339.233 3.289 20 30 EGEDLO Cc1ccccc1OCCCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000065208783 454538129 /nfs/dbraw/zinc/53/81/29/454538129.db2.gz JXVBUZCHJYLKJZ-UHFFFAOYSA-N 1 2 349.478 3.453 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000123311572 454623810 /nfs/dbraw/zinc/62/38/10/454623810.db2.gz LKYQLABXTUBGAK-HXUWFJFHSA-N 1 2 342.483 3.253 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1sccc1C#N)c1ccccc1F ZINC000052029433 454648718 /nfs/dbraw/zinc/64/87/18/454648718.db2.gz PEPYJSDFMPONIZ-AWEZNQCLSA-N 1 2 340.383 3.012 20 30 EGEDLO COc1ccc([C@@H](NC(=O)C[N@H+](CCC#N)CC2CC2)C(C)C)cc1 ZINC000081062576 454679386 /nfs/dbraw/zinc/67/93/86/454679386.db2.gz IWVKBKSHGPCIAM-FQEVSTJZSA-N 1 2 343.471 3.134 20 30 EGEDLO COc1ccc([C@@H](NC(=O)C[N@@H+](CCC#N)CC2CC2)C(C)C)cc1 ZINC000081062576 454679390 /nfs/dbraw/zinc/67/93/90/454679390.db2.gz IWVKBKSHGPCIAM-FQEVSTJZSA-N 1 2 343.471 3.134 20 30 EGEDLO N#CCC[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC1CC1 ZINC000093091337 454682130 /nfs/dbraw/zinc/68/21/30/454682130.db2.gz PSNXLRPOVQHQDV-UHFFFAOYSA-N 1 2 338.205 3.483 20 30 EGEDLO N#CCC[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC1CC1 ZINC000093091337 454682132 /nfs/dbraw/zinc/68/21/32/454682132.db2.gz PSNXLRPOVQHQDV-UHFFFAOYSA-N 1 2 338.205 3.483 20 30 EGEDLO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCOCC23CCC3)cc1 ZINC000135540869 454688572 /nfs/dbraw/zinc/68/85/72/454688572.db2.gz KHBQRLCDDFNIBL-UHFFFAOYSA-N 1 2 325.330 3.192 20 30 EGEDLO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCOCC23CCC3)cc1 ZINC000135540869 454688573 /nfs/dbraw/zinc/68/85/73/454688573.db2.gz KHBQRLCDDFNIBL-UHFFFAOYSA-N 1 2 325.330 3.192 20 30 EGEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2Cc3ccccc3C2)cc1 ZINC000106305008 454690322 /nfs/dbraw/zinc/69/03/22/454690322.db2.gz MERBKUSVRRBDFZ-UHFFFAOYSA-N 1 2 349.434 3.348 20 30 EGEDLO N#CCC[C@@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000124186149 454703849 /nfs/dbraw/zinc/70/38/49/454703849.db2.gz BMBGNEZTHRAYJC-QZTJIDSGSA-N 1 2 349.438 3.005 20 30 EGEDLO COCCOc1ccc(CNc2[nH+]cccc2OCCCC#N)cc1 ZINC000162260946 454763314 /nfs/dbraw/zinc/76/33/14/454763314.db2.gz GUGLETSMALRDRE-UHFFFAOYSA-N 1 2 341.411 3.401 20 30 EGEDLO N#Cc1ccc(NC(=O)NCCNc2ccc3ccccc3[nH+]2)cc1 ZINC000139596162 454808568 /nfs/dbraw/zinc/80/85/68/454808568.db2.gz UBZXDBSHDJVYNR-UHFFFAOYSA-N 1 2 331.379 3.340 20 30 EGEDLO CCCO[C@H]1CCC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000177064516 454817912 /nfs/dbraw/zinc/81/79/12/454817912.db2.gz CFYINACOMSCDKK-ROUUACIJSA-N 1 2 330.428 3.053 20 30 EGEDLO CCCO[C@H]1CCC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000177064516 454817916 /nfs/dbraw/zinc/81/79/16/454817916.db2.gz CFYINACOMSCDKK-ROUUACIJSA-N 1 2 330.428 3.053 20 30 EGEDLO C=CCOc1ccccc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000109281961 454825092 /nfs/dbraw/zinc/82/50/92/454825092.db2.gz SMOYTXWNHPBBBI-UHFFFAOYSA-N 1 2 325.412 3.269 20 30 EGEDLO C#CCN(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C1CCCC1 ZINC000163220749 454831520 /nfs/dbraw/zinc/83/15/20/454831520.db2.gz HBGOOJVSMLVDSO-UHFFFAOYSA-N 1 2 336.439 3.019 20 30 EGEDLO C=CCN(Cc1ccccc1F)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177753491 454899959 /nfs/dbraw/zinc/89/99/59/454899959.db2.gz QFJGYBKFFULDAP-UHFFFAOYSA-N 1 2 338.386 3.371 20 30 EGEDLO C=CCN(CCc1ccccc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177774800 454902803 /nfs/dbraw/zinc/90/28/03/454902803.db2.gz XPSRSBSNSYZHBW-UHFFFAOYSA-N 1 2 334.423 3.275 20 30 EGEDLO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(C#N)c1)c1c(F)cccc1F ZINC000166675708 454914796 /nfs/dbraw/zinc/91/47/96/454914796.db2.gz KLQKRLXTESGYSA-MRXNPFEDSA-N 1 2 346.337 3.459 20 30 EGEDLO C=CCn1c(SCc2[nH+]ccn2C)nnc1-c1ccc(C)cc1 ZINC000154674740 454918428 /nfs/dbraw/zinc/91/84/28/454918428.db2.gz YWKKQZJMXZBIJE-UHFFFAOYSA-N 1 2 325.441 3.465 20 30 EGEDLO CC(C)(C#N)c1ccccc1C[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000178509456 454958460 /nfs/dbraw/zinc/95/84/60/454958460.db2.gz UBCNOMODZGIXML-UHFFFAOYSA-N 1 2 347.462 3.446 20 30 EGEDLO N#Cc1cc(CN2CC[NH+](Cc3cccc(F)c3)CC2)ccc1F ZINC000178772721 454975752 /nfs/dbraw/zinc/97/57/52/454975752.db2.gz BHGNZJIOENVYEP-UHFFFAOYSA-N 1 2 327.378 3.154 20 30 EGEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000155236389 454978391 /nfs/dbraw/zinc/97/83/91/454978391.db2.gz YZEYMLDOJCDPCU-KBPBESRZSA-N 1 2 344.484 3.125 20 30 EGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000155236389 454978393 /nfs/dbraw/zinc/97/83/93/454978393.db2.gz YZEYMLDOJCDPCU-KBPBESRZSA-N 1 2 344.484 3.125 20 30 EGEDLO CC[N@H+](CCC#N)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000127585661 454979150 /nfs/dbraw/zinc/97/91/50/454979150.db2.gz KSLMHALMPQBSGV-UHFFFAOYSA-N 1 2 339.233 3.346 20 30 EGEDLO CC[N@@H+](CCC#N)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000127585661 454979154 /nfs/dbraw/zinc/97/91/54/454979154.db2.gz KSLMHALMPQBSGV-UHFFFAOYSA-N 1 2 339.233 3.346 20 30 EGEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(Cl)c(F)c1 ZINC000127624299 454982963 /nfs/dbraw/zinc/98/29/63/454982963.db2.gz LCXTWTCZNZZQTB-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(Cl)c(F)c1 ZINC000127624299 454982964 /nfs/dbraw/zinc/98/29/64/454982964.db2.gz LCXTWTCZNZZQTB-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000116325490 455051670 /nfs/dbraw/zinc/05/16/70/455051670.db2.gz FIBLDKHNBBEKAD-SJLPKXTDSA-N 1 2 345.512 3.093 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000116325490 455051672 /nfs/dbraw/zinc/05/16/72/455051672.db2.gz FIBLDKHNBBEKAD-SJLPKXTDSA-N 1 2 345.512 3.093 20 30 EGEDLO Cc1occc1C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000128494582 455061909 /nfs/dbraw/zinc/06/19/09/455061909.db2.gz TUKJMIIGRRJVOZ-HNNXBMFYSA-N 1 2 325.412 3.355 20 30 EGEDLO Cc1occc1C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000128494582 455061910 /nfs/dbraw/zinc/06/19/10/455061910.db2.gz TUKJMIIGRRJVOZ-HNNXBMFYSA-N 1 2 325.412 3.355 20 30 EGEDLO C=CCCC[C@@H](C)NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000179701531 455068674 /nfs/dbraw/zinc/06/86/74/455068674.db2.gz MJQDWPLCIPERMS-CQSZACIVSA-N 1 2 332.448 3.093 20 30 EGEDLO C=CCCC[C@H](C)NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000179701517 455068900 /nfs/dbraw/zinc/06/89/00/455068900.db2.gz MJQDWPLCIPERMS-AWEZNQCLSA-N 1 2 332.448 3.093 20 30 EGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000180093684 455130914 /nfs/dbraw/zinc/13/09/14/455130914.db2.gz XFAGSEQNOVVINZ-AWEZNQCLSA-N 1 2 339.399 3.043 20 30 EGEDLO Cc1occc1C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000172210152 455134910 /nfs/dbraw/zinc/13/49/10/455134910.db2.gz JQMPOFQYBJXPSK-AWEZNQCLSA-N 1 2 343.402 3.494 20 30 EGEDLO Cc1occc1C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000172210152 455134913 /nfs/dbraw/zinc/13/49/13/455134913.db2.gz JQMPOFQYBJXPSK-AWEZNQCLSA-N 1 2 343.402 3.494 20 30 EGEDLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3cccc(C#N)c3)n2)c1 ZINC000237356049 455176972 /nfs/dbraw/zinc/17/69/72/455176972.db2.gz UKXYRJBASHZCOC-ZDUSSCGKSA-N 1 2 334.379 3.468 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180511186 455186369 /nfs/dbraw/zinc/18/63/69/455186369.db2.gz TXLYMRGJZOFHFC-GFCCVEGCSA-N 1 2 328.378 3.349 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180511186 455186370 /nfs/dbraw/zinc/18/63/70/455186370.db2.gz TXLYMRGJZOFHFC-GFCCVEGCSA-N 1 2 328.378 3.349 20 30 EGEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000157635679 455215063 /nfs/dbraw/zinc/21/50/63/455215063.db2.gz CVXQMCMXQJZCLG-NEPJUHHUSA-N 1 2 343.349 3.394 20 30 EGEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000157635679 455215066 /nfs/dbraw/zinc/21/50/66/455215066.db2.gz CVXQMCMXQJZCLG-NEPJUHHUSA-N 1 2 343.349 3.394 20 30 EGEDLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CCS1 ZINC000245436359 455299555 /nfs/dbraw/zinc/29/95/55/455299555.db2.gz DGSQHPDESKIWDW-NEPJUHHUSA-N 1 2 349.525 3.263 20 30 EGEDLO CC[C@H]1C[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CCS1 ZINC000245436359 455299561 /nfs/dbraw/zinc/29/95/61/455299561.db2.gz DGSQHPDESKIWDW-NEPJUHHUSA-N 1 2 349.525 3.263 20 30 EGEDLO Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)s1 ZINC000265462572 455329870 /nfs/dbraw/zinc/32/98/70/455329870.db2.gz HAYLLAMAABZQGG-OAHLLOKOSA-N 1 2 339.464 3.447 20 30 EGEDLO C=C(C)CN(C)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000181591791 455359891 /nfs/dbraw/zinc/35/98/91/455359891.db2.gz VWOIURXTECMWRJ-HZPDHXFCSA-N 1 2 331.460 3.336 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000266077432 455422902 /nfs/dbraw/zinc/42/29/02/455422902.db2.gz VHPUEWAPNQQQPO-AWEZNQCLSA-N 1 2 331.847 3.239 20 30 EGEDLO C[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1nnnn1-c1ccccc1 ZINC000184819652 455453369 /nfs/dbraw/zinc/45/33/69/455453369.db2.gz SPKNQPNOOVNNKB-AWEZNQCLSA-N 1 2 337.814 3.018 20 30 EGEDLO COc1ccc(N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)cc1 ZINC000160498721 455466707 /nfs/dbraw/zinc/46/67/07/455466707.db2.gz ZTWWWJGVUBLLKT-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000246691896 455516770 /nfs/dbraw/zinc/51/67/70/455516770.db2.gz ZQFPLHVFIZIEBR-IERDGZPVSA-N 1 2 349.434 3.133 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000246691896 455516775 /nfs/dbraw/zinc/51/67/75/455516775.db2.gz ZQFPLHVFIZIEBR-IERDGZPVSA-N 1 2 349.434 3.133 20 30 EGEDLO C=CC[N@@H+](CCOC)Cc1cc(OC)c(OC)cc1Br ZINC000191757435 455517381 /nfs/dbraw/zinc/51/73/81/455517381.db2.gz DDODCXKCYIMKNZ-UHFFFAOYSA-N 1 2 344.249 3.101 20 30 EGEDLO C=CC[N@H+](CCOC)Cc1cc(OC)c(OC)cc1Br ZINC000191757435 455517386 /nfs/dbraw/zinc/51/73/86/455517386.db2.gz DDODCXKCYIMKNZ-UHFFFAOYSA-N 1 2 344.249 3.101 20 30 EGEDLO C[C@@H]1CN(c2ccc(Nc3ccc(Cl)c(C#N)n3)c[nH+]2)C[C@@H](C)O1 ZINC000267246030 455523001 /nfs/dbraw/zinc/52/30/01/455523001.db2.gz SWJDLKAOMOHKCV-VXGBXAGGSA-N 1 2 343.818 3.359 20 30 EGEDLO COc1ccc(C[NH2+]C(C)(C)c2nc(C)no2)cc1OCCCC#N ZINC000284029631 455624937 /nfs/dbraw/zinc/62/49/37/455624937.db2.gz OBXAYWLXUXOMCE-UHFFFAOYSA-N 1 2 344.415 3.094 20 30 EGEDLO CC(C)CC[N@H+](CCC#N)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192610911 455653068 /nfs/dbraw/zinc/65/30/68/455653068.db2.gz LEJQIRDGZMPHEF-IBGZPJMESA-N 1 2 338.455 3.315 20 30 EGEDLO CC(C)CC[N@@H+](CCC#N)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192610911 455653072 /nfs/dbraw/zinc/65/30/72/455653072.db2.gz LEJQIRDGZMPHEF-IBGZPJMESA-N 1 2 338.455 3.315 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCO[C@H](CCC)C1 ZINC000248120670 455682574 /nfs/dbraw/zinc/68/25/74/455682574.db2.gz UHRVTUKHGWBCHA-HZPDHXFCSA-N 1 2 336.501 3.152 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](CCC)C1 ZINC000248120670 455682577 /nfs/dbraw/zinc/68/25/77/455682577.db2.gz UHRVTUKHGWBCHA-HZPDHXFCSA-N 1 2 336.501 3.152 20 30 EGEDLO NC(=[NH+]OCc1nc(-c2c(F)cccc2F)cs1)[C@@H]1CCCO1 ZINC000284469526 455691940 /nfs/dbraw/zinc/69/19/40/455691940.db2.gz REWJSFMGVTUPLM-LBPRGKRZSA-N 1 2 339.367 3.056 20 30 EGEDLO CC(C)(C#N)CCCCN1CC[NH+](CCOc2ccccc2)CC1 ZINC000277880477 455695076 /nfs/dbraw/zinc/69/50/76/455695076.db2.gz FCCHZESXXVFIBA-UHFFFAOYSA-N 1 2 329.488 3.403 20 30 EGEDLO CC(C)(C)OC(=O)Nc1cccc(CO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000284596413 455711450 /nfs/dbraw/zinc/71/14/50/455711450.db2.gz YGAINXQXKBTFDF-CQSZACIVSA-N 1 2 335.404 3.001 20 30 EGEDLO CC(C)(C#N)c1ccccc1Cn1c2ccccc2[nH+]c1NCCO ZINC000268933549 455735279 /nfs/dbraw/zinc/73/52/79/455735279.db2.gz CSVXCDDOWDNJIX-UHFFFAOYSA-N 1 2 334.423 3.290 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000278849161 455850593 /nfs/dbraw/zinc/85/05/93/455850593.db2.gz FMHOUYKYZHUPFP-GHMZBOCLSA-N 1 2 347.406 3.402 20 30 EGEDLO C#CC(C)(C)[N@H+](C)Cc1nnc(-c2ccccc2Br)o1 ZINC000279183263 455859738 /nfs/dbraw/zinc/85/97/38/455859738.db2.gz DDIPVVWPEAQVGM-UHFFFAOYSA-N 1 2 334.217 3.343 20 30 EGEDLO C#CC(C)(C)[N@@H+](C)Cc1nnc(-c2ccccc2Br)o1 ZINC000279183263 455859742 /nfs/dbraw/zinc/85/97/42/455859742.db2.gz DDIPVVWPEAQVGM-UHFFFAOYSA-N 1 2 334.217 3.343 20 30 EGEDLO N#C[C@@]1(C(=O)NCCNc2ccc3ccccc3[nH+]2)CC12CCCC2 ZINC000295923841 455863177 /nfs/dbraw/zinc/86/31/77/455863177.db2.gz RYQDDAQIHIJDMG-HXUWFJFHSA-N 1 2 334.423 3.237 20 30 EGEDLO C=CCOCCCC(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270059615 455868430 /nfs/dbraw/zinc/86/84/30/455868430.db2.gz GFMZVKCILMERAY-KRWDZBQOSA-N 1 2 341.455 3.319 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)CC#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000279741743 455872593 /nfs/dbraw/zinc/87/25/93/455872593.db2.gz OXAYFDAPPPEGOP-UHFFFAOYSA-N 1 2 345.368 3.409 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)CC#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000279741743 455872598 /nfs/dbraw/zinc/87/25/98/455872598.db2.gz OXAYFDAPPPEGOP-UHFFFAOYSA-N 1 2 345.368 3.409 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000279822788 455875096 /nfs/dbraw/zinc/87/50/96/455875096.db2.gz YUHLEFLBHBHGCI-HNNXBMFYSA-N 1 2 326.400 3.316 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000279822788 455875101 /nfs/dbraw/zinc/87/51/01/455875101.db2.gz YUHLEFLBHBHGCI-HNNXBMFYSA-N 1 2 326.400 3.316 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C#N)C1CCCCC1 ZINC000279964902 455879157 /nfs/dbraw/zinc/87/91/57/455879157.db2.gz PTWVYAORMHOIOH-INIZCTEOSA-N 1 2 346.381 3.212 20 30 EGEDLO N#Cc1cccc(OCC[N@@H+]2CCO[C@H](c3ccc(F)cc3F)C2)c1 ZINC000187276347 455890510 /nfs/dbraw/zinc/89/05/10/455890510.db2.gz VLQGWENOEYOXIF-IBGZPJMESA-N 1 2 344.361 3.289 20 30 EGEDLO N#Cc1cccc(OCC[N@H+]2CCO[C@H](c3ccc(F)cc3F)C2)c1 ZINC000187276347 455890512 /nfs/dbraw/zinc/89/05/12/455890512.db2.gz VLQGWENOEYOXIF-IBGZPJMESA-N 1 2 344.361 3.289 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000187700852 455940692 /nfs/dbraw/zinc/94/06/92/455940692.db2.gz JDBJKWPMVKNRTJ-HNNXBMFYSA-N 1 2 337.398 3.103 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000187700852 455940697 /nfs/dbraw/zinc/94/06/97/455940697.db2.gz JDBJKWPMVKNRTJ-HNNXBMFYSA-N 1 2 337.398 3.103 20 30 EGEDLO Cc1oc(C#N)cc1C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000280511385 455986823 /nfs/dbraw/zinc/98/68/23/455986823.db2.gz DVOSQOHYSGNPRE-UHFFFAOYSA-N 1 2 338.411 3.021 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[NH+]1CCC(C)(C#N)CC1 ZINC000272551779 455991106 /nfs/dbraw/zinc/99/11/06/455991106.db2.gz KTALLBGFYVFUFU-LBPRGKRZSA-N 1 2 337.370 3.241 20 30 EGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC000272597821 456007988 /nfs/dbraw/zinc/00/79/88/456007988.db2.gz QKWSOJBQHZERJA-HNNXBMFYSA-N 1 2 342.418 3.087 20 30 EGEDLO C=CC[C@H](CC)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000280908984 456078914 /nfs/dbraw/zinc/07/89/14/456078914.db2.gz DEMONGRASODFSE-HOTGVXAUSA-N 1 2 330.407 3.303 20 30 EGEDLO N#CCc1ccc(C[N@H+]2CCOC[C@@H]2CC(=O)c2cccs2)cc1 ZINC000225452807 456084379 /nfs/dbraw/zinc/08/43/79/456084379.db2.gz ICHIIUNRQLUZDR-KRWDZBQOSA-N 1 2 340.448 3.288 20 30 EGEDLO N#CCc1ccc(C[N@@H+]2CCOC[C@@H]2CC(=O)c2cccs2)cc1 ZINC000225452807 456084384 /nfs/dbraw/zinc/08/43/84/456084384.db2.gz ICHIIUNRQLUZDR-KRWDZBQOSA-N 1 2 340.448 3.288 20 30 EGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CC[C@H](C#N)C3)n2)C1 ZINC000333250506 456186601 /nfs/dbraw/zinc/18/66/01/456186601.db2.gz GSJAONKIJDRCEE-HZSPNIEDSA-N 1 2 347.488 3.189 20 30 EGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CC[C@H](C#N)C3)n2)C1 ZINC000333250506 456186604 /nfs/dbraw/zinc/18/66/04/456186604.db2.gz GSJAONKIJDRCEE-HZSPNIEDSA-N 1 2 347.488 3.189 20 30 EGEDLO Cc1ccnc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)c1C#N ZINC000273334747 456224217 /nfs/dbraw/zinc/22/42/17/456224217.db2.gz MQOXHIXGBSYUPU-UHFFFAOYSA-N 1 2 343.434 3.264 20 30 EGEDLO C#CCC(C)(C)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000274342305 456255927 /nfs/dbraw/zinc/25/59/27/456255927.db2.gz QDUJLVREKQJINQ-UHFFFAOYSA-N 1 2 348.244 3.071 20 30 EGEDLO C[C@H](c1nccs1)[NH+]1CCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000302189370 456311216 /nfs/dbraw/zinc/31/12/16/456311216.db2.gz KIMJCSMNNUNRDW-CQSZACIVSA-N 1 2 349.463 3.446 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(C(=O)OC)oc1CC ZINC000352802657 456321288 /nfs/dbraw/zinc/32/12/88/456321288.db2.gz MQPGJXCLVACOGL-UHFFFAOYSA-N 1 2 347.411 3.292 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(C(=O)OC)oc1CC ZINC000352802657 456321292 /nfs/dbraw/zinc/32/12/92/456321292.db2.gz MQPGJXCLVACOGL-UHFFFAOYSA-N 1 2 347.411 3.292 20 30 EGEDLO C=C(C)CN(Cc1ccc(CO)o1)Cc1[nH+]ccn1CC(F)(F)F ZINC000352803883 456323223 /nfs/dbraw/zinc/32/32/23/456323223.db2.gz OSQBKFUNJGYATB-UHFFFAOYSA-N 1 2 343.349 3.109 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1cc(Cl)ccc1OC ZINC000337388963 456350573 /nfs/dbraw/zinc/35/05/73/456350573.db2.gz YMAFNHVOVADIET-AWEZNQCLSA-N 1 2 336.863 3.370 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1cc(Cl)ccc1OC ZINC000337388963 456350577 /nfs/dbraw/zinc/35/05/77/456350577.db2.gz YMAFNHVOVADIET-AWEZNQCLSA-N 1 2 336.863 3.370 20 30 EGEDLO C=CCOc1c(Br)cc(C[NH2+]CC(F)F)cc1OC ZINC000298106675 456365295 /nfs/dbraw/zinc/36/52/95/456365295.db2.gz NYFIKAMLSRQOKR-UHFFFAOYSA-N 1 2 336.176 3.377 20 30 EGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1C#N ZINC000281994306 456384877 /nfs/dbraw/zinc/38/48/77/456384877.db2.gz NSJRNELWNADMCR-MRXNPFEDSA-N 1 2 325.372 3.414 20 30 EGEDLO CCc1ccc([C@H]2COCC[N@@H+]2CCCC2(C#N)CCOCC2)o1 ZINC000282145842 456426214 /nfs/dbraw/zinc/42/62/14/456426214.db2.gz ZYIWFOSVMGPIJS-QGZVFWFLSA-N 1 2 332.444 3.316 20 30 EGEDLO CCc1ccc([C@H]2COCC[N@H+]2CCCC2(C#N)CCOCC2)o1 ZINC000282145842 456426218 /nfs/dbraw/zinc/42/62/18/456426218.db2.gz ZYIWFOSVMGPIJS-QGZVFWFLSA-N 1 2 332.444 3.316 20 30 EGEDLO COc1cc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000282407096 456503278 /nfs/dbraw/zinc/50/32/78/456503278.db2.gz SAIZOVUYDZHQBK-IBGZPJMESA-N 1 2 326.371 3.279 20 30 EGEDLO COc1cc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000282407096 456503283 /nfs/dbraw/zinc/50/32/83/456503283.db2.gz SAIZOVUYDZHQBK-IBGZPJMESA-N 1 2 326.371 3.279 20 30 EGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000340593525 456554912 /nfs/dbraw/zinc/55/49/12/456554912.db2.gz CJEUXMQCVZAZED-LBPRGKRZSA-N 1 2 338.436 3.344 20 30 EGEDLO C=CCC[C@H](Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1)c1ccco1 ZINC000291193886 456560375 /nfs/dbraw/zinc/56/03/75/456560375.db2.gz MGNNGGRYCPPMRJ-SFHVURJKSA-N 1 2 339.439 3.331 20 30 EGEDLO C=CCC[C@H](Nc1cccc(C[N@H+]2CCNC(=O)C2)c1)c1ccco1 ZINC000291193886 456560382 /nfs/dbraw/zinc/56/03/82/456560382.db2.gz MGNNGGRYCPPMRJ-SFHVURJKSA-N 1 2 339.439 3.331 20 30 EGEDLO CCc1nocc1C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000353258664 456592618 /nfs/dbraw/zinc/59/26/18/456592618.db2.gz MHGVMCIYHZFUQL-GOSISDBHSA-N 1 2 344.846 3.273 20 30 EGEDLO C[C@@H](c1cnccn1)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348304650 456608122 /nfs/dbraw/zinc/60/81/22/456608122.db2.gz HYINJMOJWVAERG-KBXCAEBGSA-N 1 2 341.846 3.073 20 30 EGEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000348333201 456630862 /nfs/dbraw/zinc/63/08/62/456630862.db2.gz XVYSQSALURWVEL-SFHVURJKSA-N 1 2 326.831 3.117 20 30 EGEDLO C=CCN(CCc1ccccc1)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000299366308 456669728 /nfs/dbraw/zinc/66/97/28/456669728.db2.gz WSRLFXLHUOTGBX-UHFFFAOYSA-N 1 2 338.455 3.088 20 30 EGEDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CCCC12CCC2 ZINC000328619701 456719962 /nfs/dbraw/zinc/71/99/62/456719962.db2.gz WFZFSRLOSFOYJC-UHFFFAOYSA-N 1 2 338.455 3.406 20 30 EGEDLO N#Cc1ccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1F ZINC000353524571 456735478 /nfs/dbraw/zinc/73/54/78/456735478.db2.gz UAUWOZUMWGRVMR-UHFFFAOYSA-N 1 2 344.415 3.109 20 30 EGEDLO Cc1csc([C@@H]2CN(C(=O)Nc3ccc(C)[nH+]c3C)CCO2)n1 ZINC000328733708 456748097 /nfs/dbraw/zinc/74/80/97/456748097.db2.gz HZIJAUYDBVLWGP-AWEZNQCLSA-N 1 2 332.429 3.082 20 30 EGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)Cc1cccc(C#N)c1F ZINC000340904833 456751892 /nfs/dbraw/zinc/75/18/92/456751892.db2.gz VLQDWWZBJPOYHV-UHFFFAOYSA-N 1 2 326.297 3.088 20 30 EGEDLO Cc1cc(C)n([C@H](C)CC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000328757358 456754743 /nfs/dbraw/zinc/75/47/43/456754743.db2.gz UZQDXHFLIMVJNU-CVEARBPZSA-N 1 2 327.432 3.081 20 30 EGEDLO C[C@@H]1CC(=O)N[C@H](C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000328780520 456760203 /nfs/dbraw/zinc/76/02/03/456760203.db2.gz FKHKBTPJUYOTMV-XQQFMLRXSA-N 1 2 332.448 3.207 20 30 EGEDLO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1)NC(C1CC1)C1CC1 ZINC000328795777 456762421 /nfs/dbraw/zinc/76/24/21/456762421.db2.gz CPNHQDBWUZTJCL-IAGOWNOFSA-N 1 2 332.419 3.079 20 30 EGEDLO O=C(C[N@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1)NC(C1CC1)C1CC1 ZINC000328795777 456762426 /nfs/dbraw/zinc/76/24/26/456762426.db2.gz CPNHQDBWUZTJCL-IAGOWNOFSA-N 1 2 332.419 3.079 20 30 EGEDLO O=C(N[C@@H]1CCCC12CCOCC2)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000328825266 456769493 /nfs/dbraw/zinc/76/94/93/456769493.db2.gz SJCSQRZBYGQGJA-LSDHHAIUSA-N 1 2 332.448 3.200 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc2c(cc1OC)OCO2 ZINC000348630964 456787429 /nfs/dbraw/zinc/78/74/29/456787429.db2.gz BTDREOAPLFMXCQ-UHFFFAOYSA-N 1 2 345.395 3.088 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc2c(cc1OC)OCO2 ZINC000348630964 456787437 /nfs/dbraw/zinc/78/74/37/456787437.db2.gz BTDREOAPLFMXCQ-UHFFFAOYSA-N 1 2 345.395 3.088 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1c(C)nc2sc(C)nn21 ZINC000348635216 456790825 /nfs/dbraw/zinc/79/08/25/456790825.db2.gz NDQLRZJRNCOVTG-UHFFFAOYSA-N 1 2 346.456 3.071 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1c(C)nc2sc(C)nn21 ZINC000348635216 456790831 /nfs/dbraw/zinc/79/08/31/456790831.db2.gz NDQLRZJRNCOVTG-UHFFFAOYSA-N 1 2 346.456 3.071 20 30 EGEDLO C[C@H](C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1)[NH+]1CCSCC1 ZINC000328924321 456792839 /nfs/dbraw/zinc/79/28/39/456792839.db2.gz DISKMYVWWQLZGC-OCCSQVGLSA-N 1 2 333.457 3.156 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)CC[C@@H]1CCCCO1)C1CCOCC1 ZINC000329000626 456810106 /nfs/dbraw/zinc/81/01/06/456810106.db2.gz HMNUVRZSBZOIMC-DOTOQJQBSA-N 1 2 335.448 3.194 20 30 EGEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000338426975 456812770 /nfs/dbraw/zinc/81/27/70/456812770.db2.gz RQXPBYDQZFYHCG-OAHLLOKOSA-N 1 2 349.434 3.070 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCc1ccccc1COC)Cc1cccs1 ZINC000338937688 456868803 /nfs/dbraw/zinc/86/88/03/456868803.db2.gz ZDIBTBHLRQXQLC-UHFFFAOYSA-N 1 2 344.480 3.199 20 30 EGEDLO C=CC[N@H+](CC(=O)NCc1ccccc1COC)Cc1cccs1 ZINC000338937688 456868810 /nfs/dbraw/zinc/86/88/10/456868810.db2.gz ZDIBTBHLRQXQLC-UHFFFAOYSA-N 1 2 344.480 3.199 20 30 EGEDLO O=C(N[C@H]1CCOC2(CCCCC2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000329329992 456873432 /nfs/dbraw/zinc/87/34/32/456873432.db2.gz LJKSHGZESCPTSB-INIZCTEOSA-N 1 2 336.476 3.080 20 30 EGEDLO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2nnc3n2CCCC3)C1 ZINC000329473298 456895550 /nfs/dbraw/zinc/89/55/50/456895550.db2.gz ANTOTBUBTSLUMW-OAHLLOKOSA-N 1 2 339.443 3.115 20 30 EGEDLO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2nnc3n2CCCC3)C1 ZINC000329473298 456895555 /nfs/dbraw/zinc/89/55/55/456895555.db2.gz ANTOTBUBTSLUMW-OAHLLOKOSA-N 1 2 339.443 3.115 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC3CCC(C)CC3)C2)[nH]1 ZINC000329473508 456896208 /nfs/dbraw/zinc/89/62/08/456896208.db2.gz OPGNEILSRPZIBU-RIALXRMPSA-N 1 2 333.480 3.216 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)C(=O)NC3CCC(C)CC3)C2)[nH]1 ZINC000329473508 456896212 /nfs/dbraw/zinc/89/62/12/456896212.db2.gz OPGNEILSRPZIBU-RIALXRMPSA-N 1 2 333.480 3.216 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC3CCC(C)CC3)C2)n1 ZINC000329473508 456896216 /nfs/dbraw/zinc/89/62/16/456896216.db2.gz OPGNEILSRPZIBU-RIALXRMPSA-N 1 2 333.480 3.216 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@H](C)C(=O)NC3CCC(C)CC3)C2)n1 ZINC000329473508 456896221 /nfs/dbraw/zinc/89/62/21/456896221.db2.gz OPGNEILSRPZIBU-RIALXRMPSA-N 1 2 333.480 3.216 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@H+]([C@H](C)C(=O)NC3CCC(C)CC3)C2)n[nH]1 ZINC000329473508 456896229 /nfs/dbraw/zinc/89/62/29/456896229.db2.gz OPGNEILSRPZIBU-RIALXRMPSA-N 1 2 333.480 3.216 20 30 EGEDLO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000329477094 456896836 /nfs/dbraw/zinc/89/68/36/456896836.db2.gz BTVWYZQLBGNYLG-ZFWWWQNUSA-N 1 2 332.448 3.389 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCCC[C@@H](C)C1)C1CCOCC1 ZINC000329483893 456897890 /nfs/dbraw/zinc/89/78/90/456897890.db2.gz FIXSVJKLSNMNTQ-NVXWUHKLSA-N 1 2 348.491 3.407 20 30 EGEDLO N#Cc1c(NCCCNc2cccc[nH+]2)nc2cc(Cl)ccn21 ZINC000341704644 456907456 /nfs/dbraw/zinc/90/74/56/456907456.db2.gz HOXROZDOCTWPMQ-UHFFFAOYSA-N 1 2 326.791 3.168 20 30 EGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccon1 ZINC000349254657 456925389 /nfs/dbraw/zinc/92/53/89/456925389.db2.gz ZYJBWZRRGBQNIR-STQMWFEESA-N 1 2 344.440 3.216 20 30 EGEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000329720765 456931222 /nfs/dbraw/zinc/93/12/22/456931222.db2.gz MVSMFVRWMHYVCW-DZGCQCFKSA-N 1 2 344.846 3.324 20 30 EGEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000329720765 456931225 /nfs/dbraw/zinc/93/12/25/456931225.db2.gz MVSMFVRWMHYVCW-DZGCQCFKSA-N 1 2 344.846 3.324 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1C[C@@H]3CCC[C@H]3C1)C2 ZINC000329788652 456940746 /nfs/dbraw/zinc/94/07/46/456940746.db2.gz ZVWBRZRKKQELKQ-KKUMJFAQSA-N 1 2 330.476 3.141 20 30 EGEDLO N#CC1(NC(=O)C[NH+]2CCC(Oc3ccccn3)CC2)CCCCC1 ZINC000329902016 456958388 /nfs/dbraw/zinc/95/83/88/456958388.db2.gz HJDOIFGCEQOJIP-UHFFFAOYSA-N 1 2 342.443 3.108 20 30 EGEDLO CC(C)(C#N)CC[NH+]1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000345712052 456989039 /nfs/dbraw/zinc/98/90/39/456989039.db2.gz NMYKACMNYICCPO-UHFFFAOYSA-N 1 2 337.826 3.177 20 30 EGEDLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000330141162 456990943 /nfs/dbraw/zinc/99/09/43/456990943.db2.gz XKDNNFGQTGKLGK-FTRWYGJKSA-N 1 2 346.471 3.495 20 30 EGEDLO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000330141162 456990948 /nfs/dbraw/zinc/99/09/48/456990948.db2.gz XKDNNFGQTGKLGK-FTRWYGJKSA-N 1 2 346.471 3.495 20 30 EGEDLO C[C@H](c1cc(F)ccc1F)[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000339212858 456994987 /nfs/dbraw/zinc/99/49/87/456994987.db2.gz FUXWWKYREUMNHE-CYBMUJFWSA-N 1 2 343.377 3.146 20 30 EGEDLO C[C@H](c1cc(F)ccc1F)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000339212858 456994991 /nfs/dbraw/zinc/99/49/91/456994991.db2.gz FUXWWKYREUMNHE-CYBMUJFWSA-N 1 2 343.377 3.146 20 30 EGEDLO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330189240 456998754 /nfs/dbraw/zinc/99/87/54/456998754.db2.gz VDIYCMYOGXGNNP-ZFWWWQNUSA-N 1 2 342.443 3.317 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H](C)C[C@@H]1CCCO1 ZINC000330244199 457010559 /nfs/dbraw/zinc/01/05/59/457010559.db2.gz CYXZVPQZRMHLAJ-PMPSAXMXSA-N 1 2 334.464 3.302 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCC[C@H]1CCCCO1 ZINC000330279093 457019987 /nfs/dbraw/zinc/01/99/87/457019987.db2.gz QMXABPQUWGYMKT-CVEARBPZSA-N 1 2 334.464 3.303 20 30 EGEDLO CCN(Cc1c[nH+]c2c(C)cc(Br)cn12)C[C@@H](C)C#N ZINC000346207186 457024672 /nfs/dbraw/zinc/02/46/72/457024672.db2.gz MJUSPGOSTVXHHQ-NSHDSACASA-N 1 2 335.249 3.387 20 30 EGEDLO CCN1CCN(C(=O)Nc2c(C)cc(C)cc2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000330354011 457033806 /nfs/dbraw/zinc/03/38/06/457033806.db2.gz PCRLCIMCYZNPQA-INIZCTEOSA-N 1 2 341.459 3.259 20 30 EGEDLO COCC1(C#N)CC[NH+](CC(=O)Nc2ccccc2C(C)C)CC1 ZINC000341990069 457046232 /nfs/dbraw/zinc/04/62/32/457046232.db2.gz LNIBMJMMALQHLZ-UHFFFAOYSA-N 1 2 329.444 3.001 20 30 EGEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000342029576 457067628 /nfs/dbraw/zinc/06/76/28/457067628.db2.gz SPFBXEMZHAKMMA-AWEZNQCLSA-N 1 2 346.390 3.032 20 30 EGEDLO CC[C@@](C)(CCO)NC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000330787460 457085241 /nfs/dbraw/zinc/08/52/41/457085241.db2.gz XEAUDJJFDQYBMM-KXBFYZLASA-N 1 2 348.491 3.455 20 30 EGEDLO CC[C@](C)(CCO)NC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000330787458 457085339 /nfs/dbraw/zinc/08/53/39/457085339.db2.gz XEAUDJJFDQYBMM-DNVCBOLYSA-N 1 2 348.491 3.455 20 30 EGEDLO CC[C@@](C)(CCO)NC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000330787457 457086072 /nfs/dbraw/zinc/08/60/72/457086072.db2.gz XEAUDJJFDQYBMM-BEFAXECRSA-N 1 2 348.491 3.455 20 30 EGEDLO Cc1cc(F)cc2c1ncc(C#N)c2NCc1ccc(N(C)C)[nH+]c1 ZINC000359692600 457115420 /nfs/dbraw/zinc/11/54/20/457115420.db2.gz MBWSTYRLOPGBEG-UHFFFAOYSA-N 1 2 335.386 3.049 20 30 EGEDLO C=CC[C@@H](CO)CNC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000342165185 457144907 /nfs/dbraw/zinc/14/49/07/457144907.db2.gz QPXRSSUJUAJDPU-CYBMUJFWSA-N 1 2 346.814 3.442 20 30 EGEDLO CCc1nc([C@@H]2CCCC[N@@H+]2CCCOc2ccc(C#N)cc2)no1 ZINC000363015335 457196802 /nfs/dbraw/zinc/19/68/02/457196802.db2.gz YIKMELLMXBKYNR-KRWDZBQOSA-N 1 2 340.427 3.500 20 30 EGEDLO CCc1nc([C@@H]2CCCC[N@H+]2CCCOc2ccc(C#N)cc2)no1 ZINC000363015335 457196806 /nfs/dbraw/zinc/19/68/06/457196806.db2.gz YIKMELLMXBKYNR-KRWDZBQOSA-N 1 2 340.427 3.500 20 30 EGEDLO N#CCc1ccc(C[S@](=O)Cc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000342262399 457196948 /nfs/dbraw/zinc/19/69/48/457196948.db2.gz YSENSYYUFUHQQN-VWLOTQADSA-N 1 2 349.459 3.446 20 30 EGEDLO Cc1ncccc1C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000352365582 457358260 /nfs/dbraw/zinc/35/82/60/457358260.db2.gz UGQGNBUTIZYWHJ-LJQANCHMSA-N 1 2 340.858 3.426 20 30 EGEDLO N#Cc1cccc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000360909232 457426850 /nfs/dbraw/zinc/42/68/50/457426850.db2.gz DOMLDQZKGOAFQF-UHFFFAOYSA-N 1 2 337.427 3.479 20 30 EGEDLO C=CCCCC(=O)NC1(c2noc(C[NH+](C)C)n2)CCCCCC1 ZINC000342649356 457429314 /nfs/dbraw/zinc/42/93/14/457429314.db2.gz WVYLHZSMXPRZKR-UHFFFAOYSA-N 1 2 334.464 3.153 20 30 EGEDLO Cc1nsc(N2CC[NH+]([C@H](C)c3ccccc3F)CC2)c1C#N ZINC000360917638 457431475 /nfs/dbraw/zinc/43/14/75/457431475.db2.gz ADXMWXQCGLKXEQ-CYBMUJFWSA-N 1 2 330.432 3.346 20 30 EGEDLO Cc1cc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)c(C#N)cn1 ZINC000425205954 457461530 /nfs/dbraw/zinc/46/15/30/457461530.db2.gz WLISSCMNUWGTNM-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO COc1ccc(C(C)(C)CNc2cc(C)[nH+]cc2C#N)cc1OC ZINC000425219145 457463498 /nfs/dbraw/zinc/46/34/98/457463498.db2.gz AULMTVKFCBMHHA-UHFFFAOYSA-N 1 2 325.412 3.091 20 30 EGEDLO Cn1c2ccccc2[nH+]c1CCN1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000363934264 457464159 /nfs/dbraw/zinc/46/41/59/457464159.db2.gz WTYOMUMIZAGIFD-QUCCMNQESA-N 1 2 338.455 3.043 20 30 EGEDLO COc1ccc(Nc2cc(N[C@@H]3CC[C@H](C#N)C3)[nH+]cn2)c(OC)c1 ZINC000425278583 457480646 /nfs/dbraw/zinc/48/06/46/457480646.db2.gz ZALGERXTAOWSMN-QWHCGFSZSA-N 1 2 339.399 3.342 20 30 EGEDLO C[C@@H](c1nc(Cc2cn3ccccc3[nH+]2)no1)c1cccc(C#N)c1 ZINC000361017884 457514610 /nfs/dbraw/zinc/51/46/10/457514610.db2.gz POGZYACLEMENQG-CYBMUJFWSA-N 1 2 329.363 3.332 20 30 EGEDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)s1 ZINC000425479156 457570449 /nfs/dbraw/zinc/57/04/49/457570449.db2.gz DEXDXXKXIGUXDE-VIFPVBQESA-N 1 2 335.816 3.306 20 30 EGEDLO C#CC[C@@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccccc1 ZINC000364354026 457573909 /nfs/dbraw/zinc/57/39/09/457573909.db2.gz NOJBBXQUPAAPSC-MSOLQXFVSA-N 1 2 343.423 3.398 20 30 EGEDLO COc1cccc(NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000374300824 457576663 /nfs/dbraw/zinc/57/66/63/457576663.db2.gz GMJVSIMKMXWPHB-UHFFFAOYSA-N 1 2 347.418 3.295 20 30 EGEDLO COc1cccc(NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000374300824 457576670 /nfs/dbraw/zinc/57/66/70/457576670.db2.gz GMJVSIMKMXWPHB-UHFFFAOYSA-N 1 2 347.418 3.295 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2)C1CC1 ZINC000357533100 457583917 /nfs/dbraw/zinc/58/39/17/457583917.db2.gz SRPNECQMIWVDCI-UHFFFAOYSA-N 1 2 348.468 3.002 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2)C1CC1 ZINC000357533100 457583918 /nfs/dbraw/zinc/58/39/18/457583918.db2.gz SRPNECQMIWVDCI-UHFFFAOYSA-N 1 2 348.468 3.002 20 30 EGEDLO CCc1cnccc1[C@H](C)[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000361133890 457603362 /nfs/dbraw/zinc/60/33/62/457603362.db2.gz AEKAGQZGHIYEGW-ZDUSSCGKSA-N 1 2 333.395 3.416 20 30 EGEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCO[C@H](c3ccc(Cl)s3)C2)cc1 ZINC000364437503 457603494 /nfs/dbraw/zinc/60/34/94/457603494.db2.gz LOMGLMZUSIXDPH-GJZGRUSLSA-N 1 2 348.855 3.380 20 30 EGEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCO[C@H](c3ccc(Cl)s3)C2)cc1 ZINC000364437503 457603499 /nfs/dbraw/zinc/60/34/99/457603499.db2.gz LOMGLMZUSIXDPH-GJZGRUSLSA-N 1 2 348.855 3.380 20 30 EGEDLO Cc1cnn(CCCCC[N@@H+]2CCC[C@]3(CCCCO3)[C@H]2C#N)c1 ZINC000364818130 457699186 /nfs/dbraw/zinc/69/91/86/457699186.db2.gz VKKNAPKMPGVCLH-RTBURBONSA-N 1 2 330.476 3.289 20 30 EGEDLO Cc1cnn(CCCCC[N@H+]2CCC[C@]3(CCCCO3)[C@H]2C#N)c1 ZINC000364818130 457699188 /nfs/dbraw/zinc/69/91/88/457699188.db2.gz VKKNAPKMPGVCLH-RTBURBONSA-N 1 2 330.476 3.289 20 30 EGEDLO Cc1c[nH]c(-c2ccccc2NC(=O)COc2ccc(C#N)cc2)[nH+]1 ZINC000371248011 457839342 /nfs/dbraw/zinc/83/93/42/457839342.db2.gz SRTBZCIOCJIKPN-UHFFFAOYSA-N 1 2 332.363 3.274 20 30 EGEDLO N#C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)c(Cl)c1 ZINC000375317675 457879813 /nfs/dbraw/zinc/87/98/13/457879813.db2.gz FWQHWMCJIXQTQD-SMDDNHRTSA-N 1 2 349.221 3.133 20 30 EGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000366979979 457917007 /nfs/dbraw/zinc/91/70/07/457917007.db2.gz FMZIONCWHGYSJE-UHFFFAOYSA-N 1 2 340.358 3.186 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@H+](CC3=Cc4ccccc4OC3)CCO2)c1 ZINC000371464809 457944895 /nfs/dbraw/zinc/94/48/95/457944895.db2.gz WXEZTJFGOMPPEJ-NRFANRHFSA-N 1 2 332.403 3.408 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@@H+](CC3=Cc4ccccc4OC3)CCO2)c1 ZINC000371464809 457944899 /nfs/dbraw/zinc/94/48/99/457944899.db2.gz WXEZTJFGOMPPEJ-NRFANRHFSA-N 1 2 332.403 3.408 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)N[C@H]1CCOc2ccccc21 ZINC000362172387 458039752 /nfs/dbraw/zinc/03/97/52/458039752.db2.gz BVFCVYTYIQZXJO-SFHVURJKSA-N 1 2 343.471 3.278 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)N[C@H]1CCOc2ccccc21 ZINC000362172387 458039758 /nfs/dbraw/zinc/03/97/58/458039758.db2.gz BVFCVYTYIQZXJO-SFHVURJKSA-N 1 2 343.471 3.278 20 30 EGEDLO Cn1c2ccccc2[nH+]c1CCCNc1nc2c(cc1C#N)CCC2 ZINC000362265669 458063384 /nfs/dbraw/zinc/06/33/84/458063384.db2.gz JQPUYFUOXZAOGS-UHFFFAOYSA-N 1 2 331.423 3.373 20 30 EGEDLO C=CCSc1ccccc1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000362389349 458146204 /nfs/dbraw/zinc/14/62/04/458146204.db2.gz OGIZGSSVBAQRSL-UHFFFAOYSA-N 1 2 327.453 3.356 20 30 EGEDLO Cc1cnc(C2CC[NH+](CC(=O)Nc3ccc(C#N)cc3)CC2)s1 ZINC000369349750 458182905 /nfs/dbraw/zinc/18/29/05/458182905.db2.gz NUEPFGGFQHYHAS-UHFFFAOYSA-N 1 2 340.452 3.141 20 30 EGEDLO Cc1cc(NCCCCNc2cccc[nH+]2)c(C#N)cc1[N+](=O)[O-] ZINC000413115002 458292731 /nfs/dbraw/zinc/29/27/31/458292731.db2.gz NBKAEVREPOXHST-UHFFFAOYSA-N 1 2 325.372 3.474 20 30 EGEDLO CN(C(=O)NCC(C)(C)CC#N)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000459229248 458296121 /nfs/dbraw/zinc/29/61/21/458296121.db2.gz DMFKOLGZPIUHOY-HNNXBMFYSA-N 1 2 325.416 3.080 20 30 EGEDLO CC(C)(CC#N)CNC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000459242791 458299614 /nfs/dbraw/zinc/29/96/14/458299614.db2.gz ZAMRDCBDMXMPKV-UHFFFAOYSA-N 1 2 348.878 3.107 20 30 EGEDLO N#CC1(NC(=O)C[N@@H+]2Cc3ccccc3C[C@H]2c2ccccc2)CCC1 ZINC000372609287 458309162 /nfs/dbraw/zinc/30/91/62/458309162.db2.gz JGGSXSZWELRQSD-FQEVSTJZSA-N 1 2 345.446 3.348 20 30 EGEDLO N#CC1(NC(=O)C[N@H+]2Cc3ccccc3C[C@H]2c2ccccc2)CCC1 ZINC000372609287 458309164 /nfs/dbraw/zinc/30/91/64/458309164.db2.gz JGGSXSZWELRQSD-FQEVSTJZSA-N 1 2 345.446 3.348 20 30 EGEDLO C=CC[N@@H+](CCc1ccccc1)Cc1ccc(S(C)(=O)=O)s1 ZINC000414383444 458318091 /nfs/dbraw/zinc/31/80/91/458318091.db2.gz RJQXPUHSEIRYGR-UHFFFAOYSA-N 1 2 335.494 3.382 20 30 EGEDLO C=CC[N@H+](CCc1ccccc1)Cc1ccc(S(C)(=O)=O)s1 ZINC000414383444 458318096 /nfs/dbraw/zinc/31/80/96/458318096.db2.gz RJQXPUHSEIRYGR-UHFFFAOYSA-N 1 2 335.494 3.382 20 30 EGEDLO CC(C)(CCC#N)CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000376617659 458355479 /nfs/dbraw/zinc/35/54/79/458355479.db2.gz HORZIRSRMZBDNF-UHFFFAOYSA-N 1 2 343.406 3.141 20 30 EGEDLO CC[C@@H](C#N)S(=O)(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000416950292 458358426 /nfs/dbraw/zinc/35/84/26/458358426.db2.gz DXYLEKICXPRTKU-HNNXBMFYSA-N 1 2 331.397 3.226 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000417370291 458362665 /nfs/dbraw/zinc/36/26/65/458362665.db2.gz SGFUMAPDLZEHFQ-RTBURBONSA-N 1 2 329.407 3.433 20 30 EGEDLO Cn1cc([C@H]([NH2+]Cc2cn3ccccc3c2C#N)c2ccccc2)cn1 ZINC000373143564 458409524 /nfs/dbraw/zinc/40/95/24/458409524.db2.gz FMXFICVYRRYYEL-OAQYLSRUSA-N 1 2 341.418 3.424 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000437620524 458475858 /nfs/dbraw/zinc/47/58/58/458475858.db2.gz AYHDQSQKXSNRBU-HKUYNNGSSA-N 1 2 345.487 3.183 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000437620524 458475866 /nfs/dbraw/zinc/47/58/66/458475866.db2.gz AYHDQSQKXSNRBU-HKUYNNGSSA-N 1 2 345.487 3.183 20 30 EGEDLO C[C@H](O)c1ncc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)s1 ZINC000377621484 458506214 /nfs/dbraw/zinc/50/62/14/458506214.db2.gz XGYVVMFQVYNMBD-XKQJLSEDSA-N 1 2 327.453 3.468 20 30 EGEDLO C[C@H](O)c1ncc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)s1 ZINC000377621484 458506219 /nfs/dbraw/zinc/50/62/19/458506219.db2.gz XGYVVMFQVYNMBD-XKQJLSEDSA-N 1 2 327.453 3.468 20 30 EGEDLO C[C@H]1[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCOC1(C)C ZINC000438594100 458603347 /nfs/dbraw/zinc/60/33/47/458603347.db2.gz FAVIXJLXHXMDTI-CYBMUJFWSA-N 1 2 327.346 3.436 20 30 EGEDLO C[C@H]1[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCOC1(C)C ZINC000438594100 458603350 /nfs/dbraw/zinc/60/33/50/458603350.db2.gz FAVIXJLXHXMDTI-CYBMUJFWSA-N 1 2 327.346 3.436 20 30 EGEDLO N#C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1c(Cl)cccc1Cl ZINC000455538861 458603529 /nfs/dbraw/zinc/60/35/29/458603529.db2.gz HZQRISOPHVKUKK-GXFFZTMASA-N 1 2 349.221 3.133 20 30 EGEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cc(Br)ccc2F)nn1 ZINC000424292104 458606224 /nfs/dbraw/zinc/60/62/24/458606224.db2.gz GDBFZNAMQIWXKT-JTQLQIEISA-N 1 2 339.212 3.217 20 30 EGEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(Br)cc2F)nn1 ZINC000424293375 458606485 /nfs/dbraw/zinc/60/64/85/458606485.db2.gz INJKECNSRDJXEZ-SNVBAGLBSA-N 1 2 339.212 3.217 20 30 EGEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(F)cc2Br)nn1 ZINC000424299984 458609514 /nfs/dbraw/zinc/60/95/14/458609514.db2.gz WKWSHEOKNMOBMM-JTQLQIEISA-N 1 2 339.212 3.217 20 30 EGEDLO N#C[C@@H]1N(Cc2cn3cc(Cl)ccc3[nH+]2)CCC[C@@]12CCCCO2 ZINC000373835874 458619230 /nfs/dbraw/zinc/61/92/30/458619230.db2.gz IZNUYTMRGVIALW-WMZOPIPTSA-N 1 2 344.846 3.415 20 30 EGEDLO C[C@H]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000424548324 458658697 /nfs/dbraw/zinc/65/86/97/458658697.db2.gz UAELSQUHIHSQFP-LPHOPBHVSA-N 1 2 325.456 3.029 20 30 EGEDLO Fc1ccc(C#CCN2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000502732982 458666505 /nfs/dbraw/zinc/66/65/05/458666505.db2.gz PVXFWGKUBYQITP-UHFFFAOYSA-N 1 2 326.390 3.134 20 30 EGEDLO C=CCCn1cc(C(=O)Nc2ccc3[nH]c(CCCC)[nH+]c3c2)nn1 ZINC000424616559 458682581 /nfs/dbraw/zinc/68/25/81/458682581.db2.gz MNLXMVHYBNURTH-UHFFFAOYSA-N 1 2 338.415 3.325 20 30 EGEDLO C=C(C)[C@@H](CC(=O)Nc1ccc2c(c1)[nH+]c(C)n2[C@@H](C)CO)OCC ZINC000456694756 458753644 /nfs/dbraw/zinc/75/36/44/458753644.db2.gz BTFAIYPEKKBCMH-SCLBCKFNSA-N 1 2 345.443 3.208 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2[C@H](C)CO ZINC000456693926 458754218 /nfs/dbraw/zinc/75/42/18/458754218.db2.gz BITKIHUKPDOWLT-YJYMSZOUSA-N 1 2 345.443 3.065 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCc2ccc(C(C)(C)C)cc2C1 ZINC000511181314 458777796 /nfs/dbraw/zinc/77/77/96/458777796.db2.gz HTAKWJCWHDDVOE-NRFANRHFSA-N 1 2 341.499 3.397 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCc2ccc(C(C)(C)C)cc2C1 ZINC000511181314 458777799 /nfs/dbraw/zinc/77/77/99/458777799.db2.gz HTAKWJCWHDDVOE-NRFANRHFSA-N 1 2 341.499 3.397 20 30 EGEDLO CC(C)(C)CCNC(=O)C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000464819873 458779185 /nfs/dbraw/zinc/77/91/85/458779185.db2.gz CYWGMYCBQRISGL-MSOLQXFVSA-N 1 2 327.472 3.311 20 30 EGEDLO CC(C)(C)CCNC(=O)C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000464819873 458779188 /nfs/dbraw/zinc/77/91/88/458779188.db2.gz CYWGMYCBQRISGL-MSOLQXFVSA-N 1 2 327.472 3.311 20 30 EGEDLO C=CC[C@H](CC)NC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000440259621 458798275 /nfs/dbraw/zinc/79/82/75/458798275.db2.gz LMIKMCVXYGSFSB-AWEZNQCLSA-N 1 2 339.395 3.283 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000517583024 458831264 /nfs/dbraw/zinc/83/12/64/458831264.db2.gz FVTSZFZPAOZMPK-CRAIPNDOSA-N 1 2 327.453 3.236 20 30 EGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000440718692 458845733 /nfs/dbraw/zinc/84/57/33/458845733.db2.gz SHABTNLLJJCDPD-KBPBESRZSA-N 1 2 340.452 3.336 20 30 EGEDLO N#CC1(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CCC1 ZINC000518500743 458872125 /nfs/dbraw/zinc/87/21/25/458872125.db2.gz YDDIXXOHXHDQCB-QZTJIDSGSA-N 1 2 349.438 3.105 20 30 EGEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000550140564 458884753 /nfs/dbraw/zinc/88/47/53/458884753.db2.gz HDCFODYHJWGKBE-UHFFFAOYSA-N 1 2 328.412 3.012 20 30 EGEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000550140564 458884754 /nfs/dbraw/zinc/88/47/54/458884754.db2.gz HDCFODYHJWGKBE-UHFFFAOYSA-N 1 2 328.412 3.012 20 30 EGEDLO Cc1cccc([C@@H]2C(=O)NCC[N@H+]2Cc2ccccc2C(C)(C)C#N)c1 ZINC000576838842 458932434 /nfs/dbraw/zinc/93/24/34/458932434.db2.gz VNIOGCOXSINNOU-HXUWFJFHSA-N 1 2 347.462 3.469 20 30 EGEDLO Cc1cccc([C@@H]2C(=O)NCC[N@@H+]2Cc2ccccc2C(C)(C)C#N)c1 ZINC000576838842 458932436 /nfs/dbraw/zinc/93/24/36/458932436.db2.gz VNIOGCOXSINNOU-HXUWFJFHSA-N 1 2 347.462 3.469 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000567364673 459094345 /nfs/dbraw/zinc/09/43/45/459094345.db2.gz QZOOYHDCACPPAA-LBPRGKRZSA-N 1 2 330.457 3.109 20 30 EGEDLO C=C(CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000478774981 459108672 /nfs/dbraw/zinc/10/86/72/459108672.db2.gz UXPWUGGHPQZIMN-UHFFFAOYSA-N 1 2 346.434 3.444 20 30 EGEDLO N#CC1CN(C(=O)c2ccccc2SCc2cn3ccccc3[nH+]2)C1 ZINC000590490605 459138402 /nfs/dbraw/zinc/13/84/02/459138402.db2.gz KJFCYUATPLJOJC-UHFFFAOYSA-N 1 2 348.431 3.222 20 30 EGEDLO N#Cc1nc(NCc2[nH+]ccn2CCc2ccccc2)sc1Cl ZINC000590586580 459154536 /nfs/dbraw/zinc/15/45/36/459154536.db2.gz MOSCCXPAVLMDSF-UHFFFAOYSA-N 1 2 343.843 3.141 20 30 EGEDLO COc1ccc(F)cc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000579328551 459245293 /nfs/dbraw/zinc/24/52/93/459245293.db2.gz SKYIMSHMMKRVDW-UHFFFAOYSA-N 1 2 325.387 3.287 20 30 EGEDLO N#Cc1ccc(CC[N@@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)cc1 ZINC000595451521 459307751 /nfs/dbraw/zinc/30/77/51/459307751.db2.gz ZPYSGQPPLVGUCF-LJQANCHMSA-N 1 2 328.362 3.452 20 30 EGEDLO N#Cc1ccc(CC[N@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)cc1 ZINC000595451521 459307755 /nfs/dbraw/zinc/30/77/55/459307755.db2.gz ZPYSGQPPLVGUCF-LJQANCHMSA-N 1 2 328.362 3.452 20 30 EGEDLO C=CCOC[C@H]([NH2+][C@H]1CCC[C@@H]1c1ccccc1Cl)C(=O)OC ZINC000482439912 459308421 /nfs/dbraw/zinc/30/84/21/459308421.db2.gz PSLHUXWRQYMUKA-PVAVHDDUSA-N 1 2 337.847 3.310 20 30 EGEDLO C=CCOC[C@H]([NH2+][C@H](C)C1CCC(C(F)(F)F)CC1)C(=O)OC ZINC000482440740 459309158 /nfs/dbraw/zinc/30/91/58/459309158.db2.gz RGXYYKOKVPKVDU-RYSNWHEDSA-N 1 2 337.382 3.077 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000582309429 459344233 /nfs/dbraw/zinc/34/42/33/459344233.db2.gz DMMASYCXMUADQN-MRXNPFEDSA-N 1 2 335.407 3.138 20 30 EGEDLO Cc1cc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c(C#N)c[nH+]1 ZINC000496875786 459355642 /nfs/dbraw/zinc/35/56/42/459355642.db2.gz ODSNEECHRFLHPX-CVEARBPZSA-N 1 2 342.443 3.240 20 30 EGEDLO Cc1ccc(F)c(N2CCC[C@H]([N@@H+]3CCC[C@@H](CC#N)C3)C2=O)c1 ZINC000595615384 459368342 /nfs/dbraw/zinc/36/83/42/459368342.db2.gz QKIVNTLHRGDNMU-RDJZCZTQSA-N 1 2 329.419 3.255 20 30 EGEDLO Cc1ccc(F)c(N2CCC[C@H]([N@H+]3CCC[C@@H](CC#N)C3)C2=O)c1 ZINC000595615384 459368343 /nfs/dbraw/zinc/36/83/43/459368343.db2.gz QKIVNTLHRGDNMU-RDJZCZTQSA-N 1 2 329.419 3.255 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000595615150 459369236 /nfs/dbraw/zinc/36/92/36/459369236.db2.gz PMBQOTKSMUDTIT-LLVKDONJSA-N 1 2 337.217 3.303 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000595615150 459369240 /nfs/dbraw/zinc/36/92/40/459369240.db2.gz PMBQOTKSMUDTIT-LLVKDONJSA-N 1 2 337.217 3.303 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000595620336 459372221 /nfs/dbraw/zinc/37/22/21/459372221.db2.gz LVTWFUGWSQTNDM-CYBMUJFWSA-N 1 2 340.452 3.035 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000595620336 459372225 /nfs/dbraw/zinc/37/22/25/459372225.db2.gz LVTWFUGWSQTNDM-CYBMUJFWSA-N 1 2 340.452 3.035 20 30 EGEDLO Cc1c(C[NH+]2CCN(c3ccsc3C#N)CC2)cccc1[N+](=O)[O-] ZINC000595633043 459376457 /nfs/dbraw/zinc/37/64/57/459376457.db2.gz UMYVDOIBRHVNJJ-UHFFFAOYSA-N 1 2 342.424 3.159 20 30 EGEDLO C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000595658626 459386610 /nfs/dbraw/zinc/38/66/10/459386610.db2.gz GFKKLUMHIVPSAX-LBPRGKRZSA-N 1 2 337.807 3.475 20 30 EGEDLO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000595658626 459386614 /nfs/dbraw/zinc/38/66/14/459386614.db2.gz GFKKLUMHIVPSAX-LBPRGKRZSA-N 1 2 337.807 3.475 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000582604675 459394203 /nfs/dbraw/zinc/39/42/03/459394203.db2.gz UPIYIQCDVLGNME-HZPDHXFCSA-N 1 2 348.512 3.295 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000582604675 459394210 /nfs/dbraw/zinc/39/42/10/459394210.db2.gz UPIYIQCDVLGNME-HZPDHXFCSA-N 1 2 348.512 3.295 20 30 EGEDLO N#Cc1ccc(CC[N@H+]2CCOC[C@@H]2c2cc(F)cc(F)c2)cc1 ZINC000595762030 459430088 /nfs/dbraw/zinc/43/00/88/459430088.db2.gz NZGRQYYJAGMHER-LJQANCHMSA-N 1 2 328.362 3.452 20 30 EGEDLO N#Cc1ccc(CC[N@@H+]2CCOC[C@@H]2c2cc(F)cc(F)c2)cc1 ZINC000595762030 459430090 /nfs/dbraw/zinc/43/00/90/459430090.db2.gz NZGRQYYJAGMHER-LJQANCHMSA-N 1 2 328.362 3.452 20 30 EGEDLO C[N@H+](CCC#N)C[C@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000497137786 459456059 /nfs/dbraw/zinc/45/60/59/459456059.db2.gz WRUNQHCDBVPMMB-HNNXBMFYSA-N 1 2 335.423 3.279 20 30 EGEDLO C[N@@H+](CCC#N)C[C@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000497137786 459456064 /nfs/dbraw/zinc/45/60/64/459456064.db2.gz WRUNQHCDBVPMMB-HNNXBMFYSA-N 1 2 335.423 3.279 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000541701074 459479981 /nfs/dbraw/zinc/47/99/81/459479981.db2.gz JTDZQGBVBJXKGP-AZUAARDMSA-N 1 2 344.499 3.133 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000541701074 459479986 /nfs/dbraw/zinc/47/99/86/459479986.db2.gz JTDZQGBVBJXKGP-AZUAARDMSA-N 1 2 344.499 3.133 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000583092771 459482692 /nfs/dbraw/zinc/48/26/92/459482692.db2.gz ZKWQNUWPOPPUBD-AWEZNQCLSA-N 1 2 328.441 3.339 20 30 EGEDLO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592151981 459537484 /nfs/dbraw/zinc/53/74/84/459537484.db2.gz SNTWECUPQDDQBF-YVEFUNNKSA-N 1 2 331.803 3.406 20 30 EGEDLO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592151981 459537491 /nfs/dbraw/zinc/53/74/91/459537491.db2.gz SNTWECUPQDDQBF-YVEFUNNKSA-N 1 2 331.803 3.406 20 30 EGEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21 ZINC000489424556 459564401 /nfs/dbraw/zinc/56/44/01/459564401.db2.gz KEPRXAYIPNMFFF-AWEZNQCLSA-N 1 2 326.396 3.178 20 30 EGEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21 ZINC000489424556 459564405 /nfs/dbraw/zinc/56/44/05/459564405.db2.gz KEPRXAYIPNMFFF-AWEZNQCLSA-N 1 2 326.396 3.178 20 30 EGEDLO CC[C@@H](CC#N)[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000572659640 459582234 /nfs/dbraw/zinc/58/22/34/459582234.db2.gz LOFABRUZERSMSN-HZMBPMFUSA-N 1 2 326.227 3.381 20 30 EGEDLO C#C[C@H](NC(=O)N[C@H](C)c1[nH+]ccn1CC)c1ccc(Cl)cc1F ZINC000491327375 459617037 /nfs/dbraw/zinc/61/70/37/459617037.db2.gz VAKHPKOULHISMP-ABAIWWIYSA-N 1 2 348.809 3.430 20 30 EGEDLO C#C[C@@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1ccc(Cl)cc1F ZINC000491624791 459641485 /nfs/dbraw/zinc/64/14/85/459641485.db2.gz HLOLCBWRBZLQFY-MRXNPFEDSA-N 1 2 348.809 3.082 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1ccc(C(=O)NC)cc1)c1ccc(Cl)cc1F ZINC000491667951 459650238 /nfs/dbraw/zinc/65/02/38/459650238.db2.gz SEIXXAMNTPFOLP-QGZVFWFLSA-N 1 2 330.790 3.303 20 30 EGEDLO C#C[C@@H](C)N(C)C(=O)c1ccccc1OCc1cn2cc(C)ccc2[nH+]1 ZINC000491731758 459662418 /nfs/dbraw/zinc/66/24/18/459662418.db2.gz JBXVHRCFYXVNIS-MRXNPFEDSA-N 1 2 347.418 3.315 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3CCC4(CC4)CC3)CC2)cc1 ZINC000596658681 459718036 /nfs/dbraw/zinc/71/80/36/459718036.db2.gz LAXVIVKMCDOLLI-UHFFFAOYSA-N 1 2 337.467 3.173 20 30 EGEDLO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC(CCC#N)CC2)c1 ZINC000573960924 459762314 /nfs/dbraw/zinc/76/23/14/459762314.db2.gz JLOIMMOOPYQNQZ-CQSZACIVSA-N 1 2 327.428 3.232 20 30 EGEDLO CC[C@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)[C@@H](C)CO1 ZINC000593064903 459762432 /nfs/dbraw/zinc/76/24/32/459762432.db2.gz WKXPXKIUKUFKRB-WMZOPIPTSA-N 1 2 343.471 3.049 20 30 EGEDLO CC[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)[C@@H](C)CO1 ZINC000593064903 459762435 /nfs/dbraw/zinc/76/24/35/459762435.db2.gz WKXPXKIUKUFKRB-WMZOPIPTSA-N 1 2 343.471 3.049 20 30 EGEDLO Cn1cc[nH+]c1[C@H](CC(=O)N[C@H](C#N)C1CCCCC1)C(F)(F)F ZINC000563381564 459765101 /nfs/dbraw/zinc/76/51/01/459765101.db2.gz QNRCZPIVRXZSBW-QWHCGFSZSA-N 1 2 342.365 3.045 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CCC(F)(F)C[C@H]2C)c(C#N)c1C ZINC000528769462 459813923 /nfs/dbraw/zinc/81/39/23/459813923.db2.gz NXOWUBMLDMGUIN-SECBINFHSA-N 1 2 327.400 3.295 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC(F)(F)C[C@H]2C)c(C#N)c1C ZINC000528769462 459813927 /nfs/dbraw/zinc/81/39/27/459813927.db2.gz NXOWUBMLDMGUIN-SECBINFHSA-N 1 2 327.400 3.295 20 30 EGEDLO CC(C)(C)Oc1ccc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1C#N ZINC000566285927 459835773 /nfs/dbraw/zinc/83/57/73/459835773.db2.gz FGZWJVDMTGIFOO-ZDUSSCGKSA-N 1 2 338.411 3.133 20 30 EGEDLO C=CCOc1ccccc1C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000566359799 459849900 /nfs/dbraw/zinc/84/99/00/459849900.db2.gz AFYSSLMAOXZJMW-UHFFFAOYSA-N 1 2 347.418 3.063 20 30 EGEDLO Cc1cn2ccc(C(=O)N[C@H]3CCCc4cc(C#N)ccc43)cc2[nH+]1 ZINC000602164479 459856803 /nfs/dbraw/zinc/85/68/03/459856803.db2.gz OIXIMIMWVVFFER-SFHVURJKSA-N 1 2 330.391 3.322 20 30 EGEDLO CC(C)(C)c1ncc(C[NH+]2CCN(c3ccsc3C#N)CC2)cn1 ZINC000597183569 459866271 /nfs/dbraw/zinc/86/62/71/459866271.db2.gz LLFYTHVBUVRFPA-UHFFFAOYSA-N 1 2 341.484 3.029 20 30 EGEDLO CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000597184726 459866969 /nfs/dbraw/zinc/86/69/69/459866969.db2.gz NRYOSZDZMPZNEM-CRAIPNDOSA-N 1 2 336.439 3.124 20 30 EGEDLO Cc1ccc2[nH]c(C[NH+]3CCN(c4ncccc4C#N)CC3)cc2c1C ZINC000613734252 459916778 /nfs/dbraw/zinc/91/67/78/459916778.db2.gz MWNXVQHRTAXQJC-UHFFFAOYSA-N 1 2 345.450 3.374 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609234121 459928688 /nfs/dbraw/zinc/92/86/88/459928688.db2.gz QKIINFYNEDZPBA-OXJNMPFZSA-N 1 2 349.434 3.349 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609234121 459928696 /nfs/dbraw/zinc/92/86/96/459928696.db2.gz QKIINFYNEDZPBA-OXJNMPFZSA-N 1 2 349.434 3.349 20 30 EGEDLO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598588403 459953402 /nfs/dbraw/zinc/95/34/02/459953402.db2.gz LERGANILAOFQDA-KEYYUXOJSA-N 1 2 336.863 3.403 20 30 EGEDLO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598588403 459953406 /nfs/dbraw/zinc/95/34/06/459953406.db2.gz LERGANILAOFQDA-KEYYUXOJSA-N 1 2 336.863 3.403 20 30 EGEDLO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598588400 459953570 /nfs/dbraw/zinc/95/35/70/459953570.db2.gz LERGANILAOFQDA-CKEIUWERSA-N 1 2 336.863 3.403 20 30 EGEDLO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598588400 459953577 /nfs/dbraw/zinc/95/35/77/459953577.db2.gz LERGANILAOFQDA-CKEIUWERSA-N 1 2 336.863 3.403 20 30 EGEDLO COc1cc(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)ccc1SC ZINC000609485234 459969864 /nfs/dbraw/zinc/96/98/64/459969864.db2.gz LKZWRTSQTBWZFZ-MRXNPFEDSA-N 1 2 333.501 3.083 20 30 EGEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000609485637 459970271 /nfs/dbraw/zinc/97/02/71/459970271.db2.gz UIJGWKQNWKUVQU-MRXNPFEDSA-N 1 2 325.378 3.371 20 30 EGEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000594010796 460055897 /nfs/dbraw/zinc/05/58/97/460055897.db2.gz NVKWJXUSQYNTDF-NWDGAFQWSA-N 1 2 338.249 3.366 20 30 EGEDLO Cc1nc(C)c(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)o1 ZINC000589262664 460064221 /nfs/dbraw/zinc/06/42/21/460064221.db2.gz QLJCICXIUMVFAH-UHFFFAOYSA-N 1 2 330.819 3.139 20 30 EGEDLO Cc1cc(NC(=O)c2cccc(C#N)n2)c[nH+]c1N1CCCC[C@@H]1C ZINC000589458661 460090496 /nfs/dbraw/zinc/09/04/96/460090496.db2.gz IPXNQXYUDJRXDN-AWEZNQCLSA-N 1 2 335.411 3.288 20 30 EGEDLO Cc1nsc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c1C#N ZINC000589517567 460098510 /nfs/dbraw/zinc/09/85/10/460098510.db2.gz DPFBYNPOZCLYAR-UHFFFAOYSA-N 1 2 337.452 3.127 20 30 EGEDLO Cc1ccc(NC(=O)N2CC[NH+](CC3(CC#N)CC3)CC2)cc1Cl ZINC000602794848 460129134 /nfs/dbraw/zinc/12/91/34/460129134.db2.gz KOKWVNOABKSEOP-UHFFFAOYSA-N 1 2 346.862 3.492 20 30 EGEDLO C=CC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000597994830 460140026 /nfs/dbraw/zinc/14/00/26/460140026.db2.gz LYWGKUICNFSEMB-AWEZNQCLSA-N 1 2 340.383 3.209 20 30 EGEDLO Cc1cccn2cc(CCNC(=O)Nc3ccc(CC#N)cc3)[nH+]c12 ZINC000610454351 460155793 /nfs/dbraw/zinc/15/57/93/460155793.db2.gz MGIAIKNFIFCGEM-UHFFFAOYSA-N 1 2 333.395 3.073 20 30 EGEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000602862857 460162902 /nfs/dbraw/zinc/16/29/02/460162902.db2.gz MHJQJCACGKFAEY-YWZLYKJASA-N 1 2 339.414 3.265 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000614524365 460163363 /nfs/dbraw/zinc/16/33/63/460163363.db2.gz PNXRRMNWPXWZRK-CQSZACIVSA-N 1 2 347.422 3.179 20 30 EGEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000602870083 460166713 /nfs/dbraw/zinc/16/67/13/460166713.db2.gz SJTDPAHMXGGVJW-NEPJUHHUSA-N 1 2 330.457 3.107 20 30 EGEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000618789452 460174385 /nfs/dbraw/zinc/17/43/85/460174385.db2.gz IXUJCCUBGNZNIQ-FQEVSTJZSA-N 1 2 342.402 3.220 20 30 EGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2C[C@H]3CCC[C@@H]32)c1C#N ZINC000610585659 460190408 /nfs/dbraw/zinc/19/04/08/460190408.db2.gz ZNUCKOKBPPXZEQ-APWZRJJASA-N 1 2 348.450 3.389 20 30 EGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2C[C@H]3CCC[C@@H]32)c1C#N ZINC000610585659 460190413 /nfs/dbraw/zinc/19/04/13/460190413.db2.gz ZNUCKOKBPPXZEQ-APWZRJJASA-N 1 2 348.450 3.389 20 30 EGEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000618854444 460198266 /nfs/dbraw/zinc/19/82/66/460198266.db2.gz WVINTBUUMHAQGE-IAGOWNOFSA-N 1 2 335.411 3.205 20 30 EGEDLO CN(C)c1[nH+]ccc2cc(NC(=O)N3CCC(C)(C#N)CC3)ccc21 ZINC000603020236 460222046 /nfs/dbraw/zinc/22/20/46/460222046.db2.gz DNKGUOJJBNFVNB-UHFFFAOYSA-N 1 2 337.427 3.458 20 30 EGEDLO N#Cc1cc(F)cc(NC(=O)NCc2ccc[nH+]c2N2CCCC2)c1 ZINC000603068338 460234703 /nfs/dbraw/zinc/23/47/03/460234703.db2.gz YIUHAXKHPZSTII-UHFFFAOYSA-N 1 2 339.374 3.014 20 30 EGEDLO N#Cc1ccc(NC(=O)NCC[NH+]2Cc3ccccc3C2)c(Cl)c1 ZINC000610877108 460254218 /nfs/dbraw/zinc/25/42/18/460254218.db2.gz MNUIMNCAIDDICP-UHFFFAOYSA-N 1 2 340.814 3.349 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c(C#N)c1C ZINC000599512604 460265222 /nfs/dbraw/zinc/26/52/22/460265222.db2.gz LGHIVKGWWDUWCP-AOOOYVTPSA-N 1 2 341.427 3.398 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c(C#N)c1C ZINC000599512604 460265225 /nfs/dbraw/zinc/26/52/25/460265225.db2.gz LGHIVKGWWDUWCP-AOOOYVTPSA-N 1 2 341.427 3.398 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599591192 460282321 /nfs/dbraw/zinc/28/23/21/460282321.db2.gz SVSUHDFBNXWFCK-DYVFJYSZSA-N 1 2 332.419 3.497 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599591192 460282330 /nfs/dbraw/zinc/28/23/30/460282330.db2.gz SVSUHDFBNXWFCK-DYVFJYSZSA-N 1 2 332.419 3.497 20 30 EGEDLO CCn1cc(C[N@H+](C)Cc2ccc(C#N)cc2Br)cn1 ZINC000611500581 460377772 /nfs/dbraw/zinc/37/77/72/460377772.db2.gz UASUUNIGJFHEFD-UHFFFAOYSA-N 1 2 333.233 3.169 20 30 EGEDLO CCn1cc(C[N@@H+](C)Cc2ccc(C#N)cc2Br)cn1 ZINC000611500581 460377780 /nfs/dbraw/zinc/37/77/80/460377780.db2.gz UASUUNIGJFHEFD-UHFFFAOYSA-N 1 2 333.233 3.169 20 30 EGEDLO N#Cc1ccc(C[N@@H+](Cc2cn(-c3ccc(F)cc3)nn2)C2CC2)cc1 ZINC000600110675 460386536 /nfs/dbraw/zinc/38/65/36/460386536.db2.gz AOLIZTQLFSHLTR-UHFFFAOYSA-N 1 2 347.397 3.443 20 30 EGEDLO N#Cc1ccc(C[N@H+](Cc2cn(-c3ccc(F)cc3)nn2)C2CC2)cc1 ZINC000600110675 460386542 /nfs/dbraw/zinc/38/65/42/460386542.db2.gz AOLIZTQLFSHLTR-UHFFFAOYSA-N 1 2 347.397 3.443 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CCCCC[C@H]2C(=O)OC)cc1OC ZINC000611606700 460414410 /nfs/dbraw/zinc/41/44/10/460414410.db2.gz MPCAXEQHDTXXGW-INIZCTEOSA-N 1 2 333.428 3.178 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CCCCC[C@H]2C(=O)OC)cc1OC ZINC000611606700 460414416 /nfs/dbraw/zinc/41/44/16/460414416.db2.gz MPCAXEQHDTXXGW-INIZCTEOSA-N 1 2 333.428 3.178 20 30 EGEDLO Cc1[nH+]c2ccc(C(=O)NCc3ccc(C#N)c(Cl)c3)cc2n1C ZINC000619762621 460435656 /nfs/dbraw/zinc/43/56/56/460435656.db2.gz OXUZMTRKOILZMX-UHFFFAOYSA-N 1 2 338.798 3.337 20 30 EGEDLO N#Cc1ccccc1/C=C/c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000612872734 460759283 /nfs/dbraw/zinc/75/92/83/460759283.db2.gz GTNUUURVVFTFTD-CMDGGOBGSA-N 1 2 327.347 3.350 20 30 EGEDLO Cc1cccn2cc(Cc3noc(CNc4ccc(C#N)cc4)n3)[nH+]c12 ZINC000612918780 460771637 /nfs/dbraw/zinc/77/16/37/460771637.db2.gz IFUVJJQPTRJQRP-UHFFFAOYSA-N 1 2 344.378 3.100 20 30 EGEDLO C=CCC1(NC(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CCCC1 ZINC000666395949 461604000 /nfs/dbraw/zinc/60/40/00/461604000.db2.gz HUHLGHPLHWNEIJ-UHFFFAOYSA-N 1 2 344.459 3.237 20 30 EGEDLO C=CCCn1cc(C[NH2+]Cc2ccc(F)cc2Br)nn1 ZINC000657324477 462047069 /nfs/dbraw/zinc/04/70/69/462047069.db2.gz BRFVYTDWLSJUEH-UHFFFAOYSA-N 1 2 339.212 3.046 20 30 EGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cccc(C#N)c1 ZINC000174907613 528349139 /nfs/dbraw/zinc/34/91/39/528349139.db2.gz AHEALHQYINQUIK-UHFFFAOYSA-N 1 2 348.450 3.332 20 30 EGEDLO CNC(=O)c1ccc(C[N@H+](C)Cc2ccc(Cl)cc2C#N)cc1 ZINC000186519397 536421056 /nfs/dbraw/zinc/42/10/56/536421056.db2.gz GQJGTFYSSVFMHR-UHFFFAOYSA-N 1 2 327.815 3.203 20 30 EGEDLO CNC(=O)c1ccc(C[N@@H+](C)Cc2ccc(Cl)cc2C#N)cc1 ZINC000186519397 536421059 /nfs/dbraw/zinc/42/10/59/536421059.db2.gz GQJGTFYSSVFMHR-UHFFFAOYSA-N 1 2 327.815 3.203 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@@H](C)C1)C1CCOCC1 ZINC000328940522 547487698 /nfs/dbraw/zinc/48/76/98/547487698.db2.gz HRAOHIQNMWBBJP-GDBMZVCRSA-N 1 2 334.464 3.017 20 30 EGEDLO O=C(C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)N[C@@H]1CCOc2ccccc21 ZINC000329154216 547490856 /nfs/dbraw/zinc/49/08/56/547490856.db2.gz BGKADMPCVCLWMD-SOLBZPMBSA-N 1 2 330.428 3.110 20 30 EGEDLO O=C(C[N@H+]1CCO[C@@H]2CCCC[C@@H]21)N[C@@H]1CCOc2ccccc21 ZINC000329154216 547490860 /nfs/dbraw/zinc/49/08/60/547490860.db2.gz BGKADMPCVCLWMD-SOLBZPMBSA-N 1 2 330.428 3.110 20 30 EGEDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@H]1CCc2ccccc21 ZINC000329168725 547492050 /nfs/dbraw/zinc/49/20/50/547492050.db2.gz JCONIICGQBOPMO-SFHVURJKSA-N 1 2 337.423 3.105 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H](C)[C@@H]1CCCOC1 ZINC000330266911 547517817 /nfs/dbraw/zinc/51/78/17/547517817.db2.gz HUXNNADJGGNVPW-OAGGEKHMSA-N 1 2 334.464 3.159 20 30 EGEDLO COc1cc([N+](=O)[O-])ccc1N[NH+]=Cc1ccc(N(C)C)c(F)c1 ZINC000727651337 574681207 /nfs/dbraw/zinc/68/12/07/574681207.db2.gz USZCSKOKAZHIEA-UHFFFAOYSA-N 1 2 332.335 3.255 20 30 EGEDLO CCN1C[C@H](C[N@H+](C)Cc2ccc(F)cc2C#N)Oc2ccccc21 ZINC000728569311 574758764 /nfs/dbraw/zinc/75/87/64/574758764.db2.gz ISVDTNJJNBFCCG-SFHVURJKSA-N 1 2 339.414 3.417 20 30 EGEDLO CCN1C[C@H](C[N@@H+](C)Cc2ccc(F)cc2C#N)Oc2ccccc21 ZINC000728569311 574758766 /nfs/dbraw/zinc/75/87/66/574758766.db2.gz ISVDTNJJNBFCCG-SFHVURJKSA-N 1 2 339.414 3.417 20 30 EGEDLO O=c1[nH]ncc(N[NH+]=Cc2ccc(N3CCCCC3)s2)c1Cl ZINC000730568461 575001939 /nfs/dbraw/zinc/00/19/39/575001939.db2.gz YTEOQXXQLIONTK-UHFFFAOYSA-N 1 2 337.836 3.333 20 30 EGEDLO N#CCOc1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000731212525 575060696 /nfs/dbraw/zinc/06/06/96/575060696.db2.gz PFDKVMOMFITFOD-IBGZPJMESA-N 1 2 344.361 3.441 20 30 EGEDLO N#CCOc1ccc(C[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000731212525 575060697 /nfs/dbraw/zinc/06/06/97/575060697.db2.gz PFDKVMOMFITFOD-IBGZPJMESA-N 1 2 344.361 3.441 20 30 EGEDLO C=CC1CC[NH+](Cn2nnn(-c3ccc(C)cc3C)c2=S)CC1 ZINC000732181170 575241580 /nfs/dbraw/zinc/24/15/80/575241580.db2.gz MFPGCODRKQKHKD-UHFFFAOYSA-N 1 2 329.473 3.271 20 30 EGEDLO C=C(Cl)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000736397974 575950152 /nfs/dbraw/zinc/95/01/52/575950152.db2.gz PIWOVUWJFKESQS-CYBMUJFWSA-N 1 2 339.226 3.215 20 30 EGEDLO C=CCc1cc(OCC)cc(C[N@H+](C)CC(=O)OC(C)(C)C)c1O ZINC000738117532 576290073 /nfs/dbraw/zinc/29/00/73/576290073.db2.gz RCNFZVBYSZUEBN-UHFFFAOYSA-N 1 2 335.444 3.293 20 30 EGEDLO C=CCc1cc(OCC)cc(C[N@@H+](C)CC(=O)OC(C)(C)C)c1O ZINC000738117532 576290076 /nfs/dbraw/zinc/29/00/76/576290076.db2.gz RCNFZVBYSZUEBN-UHFFFAOYSA-N 1 2 335.444 3.293 20 30 EGEDLO CC[NH+](CC)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2F)cc1 ZINC000740605148 576606446 /nfs/dbraw/zinc/60/64/46/576606446.db2.gz MMWFCVBFJYPNSA-UHFFFAOYSA-N 1 2 347.415 3.344 20 30 EGEDLO C=C(C)CNC(=S)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000741877633 576730428 /nfs/dbraw/zinc/73/04/28/576730428.db2.gz YQFWQKGBKZKQPX-AWEZNQCLSA-N 1 2 337.920 3.469 20 30 EGEDLO N#Cc1ccc(-c2ccn(C[N@@H+]3CCOC4(CCCCC4)C3)n2)cc1 ZINC000742166459 576754095 /nfs/dbraw/zinc/75/40/95/576754095.db2.gz WEXPONPCJFKZLR-UHFFFAOYSA-N 1 2 336.439 3.414 20 30 EGEDLO N#Cc1ccc(-c2ccn(C[N@H+]3CCOC4(CCCCC4)C3)n2)cc1 ZINC000742166459 576754098 /nfs/dbraw/zinc/75/40/98/576754098.db2.gz WEXPONPCJFKZLR-UHFFFAOYSA-N 1 2 336.439 3.414 20 30 EGEDLO CC(=[NH+]Nc1ccc(Cl)nc1)c1ccc(N2CCOCC2)cc1 ZINC000743449677 576809398 /nfs/dbraw/zinc/80/93/98/576809398.db2.gz DDUFTYNFBPNVPV-UHFFFAOYSA-N 1 2 330.819 3.408 20 30 EGEDLO CC[N@H+](C)[C@H](C(=O)OCc1ccc(F)cc1C#N)c1ccccc1 ZINC000745099031 576841049 /nfs/dbraw/zinc/84/10/49/576841049.db2.gz GDLNSEXZUHRFSD-SFHVURJKSA-N 1 2 326.371 3.434 20 30 EGEDLO CC[N@@H+](C)[C@H](C(=O)OCc1ccc(F)cc1C#N)c1ccccc1 ZINC000745099031 576841050 /nfs/dbraw/zinc/84/10/50/576841050.db2.gz GDLNSEXZUHRFSD-SFHVURJKSA-N 1 2 326.371 3.434 20 30 EGEDLO CC[N@H+](C)[C@@H](C(=O)OCc1ccc(OCC#N)cc1)c1ccccc1 ZINC000745099996 576841107 /nfs/dbraw/zinc/84/11/07/576841107.db2.gz JQFFKRKFBSUNCS-LJQANCHMSA-N 1 2 338.407 3.325 20 30 EGEDLO CC[N@@H+](C)[C@@H](C(=O)OCc1ccc(OCC#N)cc1)c1ccccc1 ZINC000745099996 576841108 /nfs/dbraw/zinc/84/11/08/576841108.db2.gz JQFFKRKFBSUNCS-LJQANCHMSA-N 1 2 338.407 3.325 20 30 EGEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(F)cc1F ZINC000819745387 606631802 /nfs/dbraw/zinc/63/18/02/606631802.db2.gz ANEBFCSLVIUESV-UHFFFAOYSA-N 1 2 341.365 3.333 20 30 EGEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(F)cc1F ZINC000819745387 606631803 /nfs/dbraw/zinc/63/18/03/606631803.db2.gz ANEBFCSLVIUESV-UHFFFAOYSA-N 1 2 341.365 3.333 20 30 EGEDLO CSc1cccc(NC(=O)[C@H](C)O[NH+]=C(N)c2ccccc2)c1 ZINC000021387599 1291198598 /nfs/dbraw/zinc/19/85/98/1291198598.db2.gz FIXFTHKLYMCGGB-LBPRGKRZSA-N 1 2 329.425 3.073 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000056315962 1291818214 /nfs/dbraw/zinc/81/82/14/1291818214.db2.gz YXKLPYUYZOIEOC-HNNXBMFYSA-N 1 2 333.407 3.186 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000056315962 1291818225 /nfs/dbraw/zinc/81/82/25/1291818225.db2.gz YXKLPYUYZOIEOC-HNNXBMFYSA-N 1 2 333.407 3.186 20 30 EGEDLO CCN(c1ccc(NC(=O)C[NH+]2CCC(C#N)CC2)cc1)C(C)C ZINC000057876303 1291867076 /nfs/dbraw/zinc/86/70/76/1291867076.db2.gz ZRIJIPOPROVOIS-UHFFFAOYSA-N 1 2 328.460 3.095 20 30 EGEDLO C[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)[N@@H+]1CCc2ccccc2C1 ZINC000075580910 1292399609 /nfs/dbraw/zinc/39/96/09/1292399609.db2.gz QYBMFKHSVMQZHL-MQMKENTISA-N 1 2 339.395 3.166 20 30 EGEDLO C[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)[N@H+]1CCc2ccccc2C1 ZINC000075580910 1292399620 /nfs/dbraw/zinc/39/96/20/1292399620.db2.gz QYBMFKHSVMQZHL-MQMKENTISA-N 1 2 339.395 3.166 20 30 EGEDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000830272022 1292696515 /nfs/dbraw/zinc/69/65/15/1292696515.db2.gz YXMYEHBHSGLMJR-XMCHAPAWSA-N 1 2 340.398 3.193 20 30 EGEDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000830272022 1292696526 /nfs/dbraw/zinc/69/65/26/1292696526.db2.gz YXMYEHBHSGLMJR-XMCHAPAWSA-N 1 2 340.398 3.193 20 30 EGEDLO COc1ccc(N2CC[NH+](Cc3ccccc3C#N)CC2)cc1F ZINC000084866629 1292714168 /nfs/dbraw/zinc/71/41/68/1292714168.db2.gz ICSWHYFNETVKHK-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000093102533 1292907666 /nfs/dbraw/zinc/90/76/66/1292907666.db2.gz SFSBEUGXDMZWGJ-PBHICJAKSA-N 1 2 330.428 3.284 20 30 EGEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000093102533 1292907670 /nfs/dbraw/zinc/90/76/70/1292907670.db2.gz SFSBEUGXDMZWGJ-PBHICJAKSA-N 1 2 330.428 3.284 20 30 EGEDLO CCc1nc(C(C)C)ccc1C[NH+]1CCC(C#N)(C(=O)OC)CC1 ZINC000831699590 1292908318 /nfs/dbraw/zinc/90/83/18/1292908318.db2.gz RAUWNWRJLKELDM-UHFFFAOYSA-N 1 2 329.444 3.046 20 30 EGEDLO C[C@@H](C#N)Oc1ccc(C[N@H+](C)Cc2nc3ccccc3n2C)cc1 ZINC000093363948 1292917876 /nfs/dbraw/zinc/91/78/76/1292917876.db2.gz PVVMJTQXZTWXCD-HNNXBMFYSA-N 1 2 334.423 3.496 20 30 EGEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2nc3ccccc3n2C)cc1 ZINC000093363948 1292917887 /nfs/dbraw/zinc/91/78/87/1292917887.db2.gz PVVMJTQXZTWXCD-HNNXBMFYSA-N 1 2 334.423 3.496 20 30 EGEDLO Cc1cc(C(N)=[NH+]OCc2noc(-c3cccs3)n2)ccc1F ZINC000109062365 1293087404 /nfs/dbraw/zinc/08/74/04/1293087404.db2.gz BENNLGPVACYDMF-UHFFFAOYSA-N 1 2 332.360 3.083 20 30 EGEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000113249040 1293145050 /nfs/dbraw/zinc/14/50/50/1293145050.db2.gz HUIBVZLDCHNYIN-LLVKDONJSA-N 1 2 347.802 3.013 20 30 EGEDLO Cc1cnc(CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)o1 ZINC000174127830 1294481404 /nfs/dbraw/zinc/48/14/04/1294481404.db2.gz ZWYIZNZHODQGTQ-UHFFFAOYSA-N 1 2 337.379 3.399 20 30 EGEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3cn(-c4ccccc4)nn3)n2c1 ZINC000255565798 1296548041 /nfs/dbraw/zinc/54/80/41/1296548041.db2.gz PEYIVZFXXWEWAD-HJWRWDBZSA-N 1 2 329.363 3.120 20 30 EGEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCC2C(C)(C)C2(C)C)C1 ZINC000329992686 1297264410 /nfs/dbraw/zinc/26/44/10/1297264410.db2.gz KQEUXJFUTYWBRI-CQSZACIVSA-N 1 2 332.492 3.271 20 30 EGEDLO COc1cc(C[NH2+]CCC#N)cc(OC)c1OCc1ccccc1 ZINC000356016550 1297463990 /nfs/dbraw/zinc/46/39/90/1297463990.db2.gz SJRQRYYDYFRSKW-UHFFFAOYSA-N 1 2 326.396 3.286 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)O[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000748777222 1299076310 /nfs/dbraw/zinc/07/63/10/1299076310.db2.gz NJIQOOFSXNLJBA-CYBMUJFWSA-N 1 2 337.851 3.194 20 30 EGEDLO Cc1ccc(C2N=NC(=S)N2N=C2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000753956161 1300053477 /nfs/dbraw/zinc/05/34/77/1300053477.db2.gz VAIKYYCHVLKADP-LBPRGKRZSA-N 1 2 327.457 3.003 20 30 EGEDLO Cc1ccc(C2N=NC(=S)N2N=C2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000753956161 1300053489 /nfs/dbraw/zinc/05/34/89/1300053489.db2.gz VAIKYYCHVLKADP-LBPRGKRZSA-N 1 2 327.457 3.003 20 30 EGEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCCC[C@@H]1c1cc[nH]n1)c1ccccc1 ZINC000878601244 1300099380 /nfs/dbraw/zinc/09/93/80/1300099380.db2.gz JGNDWOMSRYQPPD-UXHICEINSA-N 1 2 336.439 3.377 20 30 EGEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCCC[C@@H]1c1cc[nH]n1)c1ccccc1 ZINC000878601244 1300099389 /nfs/dbraw/zinc/09/93/89/1300099389.db2.gz JGNDWOMSRYQPPD-UXHICEINSA-N 1 2 336.439 3.377 20 30 EGEDLO C#CC[N@@H+](Cc1cccc(C(=O)OC)c1C#N)[C@@H]1CCc2ccccc21 ZINC000756485308 1300503179 /nfs/dbraw/zinc/50/31/79/1300503179.db2.gz CLGPQIOKGWKSTJ-OAQYLSRUSA-N 1 2 344.414 3.468 20 30 EGEDLO C#CC[N@H+](Cc1cccc(C(=O)OC)c1C#N)[C@@H]1CCc2ccccc21 ZINC000756485308 1300503183 /nfs/dbraw/zinc/50/31/83/1300503183.db2.gz CLGPQIOKGWKSTJ-OAQYLSRUSA-N 1 2 344.414 3.468 20 30 EGEDLO CC(C)CC(=O)N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000879761043 1300724479 /nfs/dbraw/zinc/72/44/79/1300724479.db2.gz STIOFVWMFYLRJW-UHFFFAOYSA-N 1 2 332.875 3.272 20 30 EGEDLO CC(C)CC(=O)N1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000879761043 1300724486 /nfs/dbraw/zinc/72/44/86/1300724486.db2.gz STIOFVWMFYLRJW-UHFFFAOYSA-N 1 2 332.875 3.272 20 30 EGEDLO C[C@@H](C(=O)OCc1ccc(F)c(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000758952782 1300988611 /nfs/dbraw/zinc/98/86/11/1300988611.db2.gz JPVYBUNLNCETER-AWEZNQCLSA-N 1 2 338.382 3.187 20 30 EGEDLO C[C@@H](C(=O)OCc1ccc(F)c(C#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000758952782 1300988615 /nfs/dbraw/zinc/98/86/15/1300988615.db2.gz JPVYBUNLNCETER-AWEZNQCLSA-N 1 2 338.382 3.187 20 30 EGEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3cn(-c4ccccc4)nn3)n21 ZINC000759122137 1301018753 /nfs/dbraw/zinc/01/87/53/1301018753.db2.gz RQOQSRUXXIODGJ-ZHACJKMWSA-N 1 2 329.363 3.120 20 30 EGEDLO C#Cc1ccc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)cn1 ZINC000761655161 1301516945 /nfs/dbraw/zinc/51/69/45/1301516945.db2.gz ZTZPDZLADVLFBE-UHFFFAOYSA-N 1 2 327.347 3.025 20 30 EGEDLO Cc1cccn2cc(Cc3noc(COc4cccc(C#N)c4)n3)[nH+]c12 ZINC000761890292 1301562482 /nfs/dbraw/zinc/56/24/82/1301562482.db2.gz JDQUTDHNLYNEOU-UHFFFAOYSA-N 1 2 345.362 3.067 20 30 EGEDLO C=C(C)[C@H](CC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)OCC ZINC000882872695 1302141651 /nfs/dbraw/zinc/14/16/51/1302141651.db2.gz KJANZHKMSVVOBV-MSOLQXFVSA-N 1 2 327.428 3.112 20 30 EGEDLO C(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1ccc(Sc2ccccn2)o1 ZINC000766452252 1302456228 /nfs/dbraw/zinc/45/62/28/1302456228.db2.gz DNGZXCZWPNNZOR-ZIAGYGMSSA-N 1 2 341.440 3.020 20 30 EGEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770927196 1303334079 /nfs/dbraw/zinc/33/40/79/1303334079.db2.gz XKSAIAYBMCNBSG-UHFFFAOYSA-N 1 2 335.363 3.107 20 30 EGEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2ccc([C@H](C)CC)cc2)CC1 ZINC000772115104 1303487876 /nfs/dbraw/zinc/48/78/76/1303487876.db2.gz VONYUXVCNRRSCR-MRXNPFEDSA-N 1 2 341.451 3.271 20 30 EGEDLO N#CCSc1ccccc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000774165906 1303781940 /nfs/dbraw/zinc/78/19/40/1303781940.db2.gz ABLJELLVDZPLIG-UHFFFAOYSA-N 1 2 348.431 3.418 20 30 EGEDLO C#CC[C@@H]([NH2+]Cc1csc(CC(=O)OC(C)C)n1)c1ccccc1 ZINC000775399518 1303955786 /nfs/dbraw/zinc/95/57/86/1303955786.db2.gz IGGWMJYWIPEKDU-QGZVFWFLSA-N 1 2 342.464 3.491 20 30 EGEDLO C=CCCC[C@@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000775638065 1304000208 /nfs/dbraw/zinc/00/02/08/1304000208.db2.gz ZEFOASNXLJKFOF-CQSZACIVSA-N 1 2 338.455 3.391 20 30 EGEDLO C#C[C@H]([NH2+]Cc1csc(Nc2ccc(C)cc2)n1)[C@@H]1CCCO1 ZINC000775790677 1304038145 /nfs/dbraw/zinc/03/81/45/1304038145.db2.gz HXMYWKPZCZRUDH-IRXDYDNUSA-N 1 2 327.453 3.466 20 30 EGEDLO C#C[C@H]([NH2+]Cc1csc(-c2ccccc2OC)n1)[C@H]1CCCO1 ZINC000775801593 1304039549 /nfs/dbraw/zinc/03/95/49/1304039549.db2.gz VOBUPQQEPLXWHZ-DOTOQJQBSA-N 1 2 328.437 3.089 20 30 EGEDLO CC(C)OCCNN=C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000778547615 1304463806 /nfs/dbraw/zinc/46/38/06/1304463806.db2.gz YXWIKEPLUJSDDN-UHFFFAOYSA-N 1 2 341.858 3.446 20 30 EGEDLO Cc1cccn2cc(CC(=O)Nc3ccccc3O[C@@H](C)C#N)[nH+]c12 ZINC000780150343 1304645435 /nfs/dbraw/zinc/64/54/35/1304645435.db2.gz LJXKLMQYYXGCOB-AWEZNQCLSA-N 1 2 334.379 3.115 20 30 EGEDLO N#CCCNC(=O)C[N@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000781352421 1304817524 /nfs/dbraw/zinc/81/75/24/1304817524.db2.gz SVZMYULJTZWYGZ-UHFFFAOYSA-N 1 2 338.238 3.112 20 30 EGEDLO N#CCCNC(=O)C[N@@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000781352421 1304817529 /nfs/dbraw/zinc/81/75/29/1304817529.db2.gz SVZMYULJTZWYGZ-UHFFFAOYSA-N 1 2 338.238 3.112 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)CN1C[C@@H](c2ccccc2F)CC1=O ZINC000783995622 1305173091 /nfs/dbraw/zinc/17/30/91/1305173091.db2.gz XXLLJAFBMZZCOF-INIZCTEOSA-N 1 2 342.414 3.423 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)CN1C[C@@H](c2ccccc2F)CC1=O ZINC000783995622 1305173095 /nfs/dbraw/zinc/17/30/95/1305173095.db2.gz XXLLJAFBMZZCOF-INIZCTEOSA-N 1 2 342.414 3.423 20 30 EGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1sc(N2CCOCC2)nc1Cl ZINC000894584562 1308966462 /nfs/dbraw/zinc/96/64/62/1308966462.db2.gz WEPVNHPRUHNAKE-GFCCVEGCSA-N 1 2 327.881 3.174 20 30 EGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1sc(N2CCOCC2)nc1Cl ZINC000894584562 1308966465 /nfs/dbraw/zinc/96/64/65/1308966465.db2.gz WEPVNHPRUHNAKE-GFCCVEGCSA-N 1 2 327.881 3.174 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791454421 1309001383 /nfs/dbraw/zinc/00/13/83/1309001383.db2.gz LLDCYDDYYWCAEI-LJQANCHMSA-N 1 2 328.412 3.453 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895227958 1309247504 /nfs/dbraw/zinc/24/75/04/1309247504.db2.gz HBMLFDLLMOWOHE-JTQLQIEISA-N 1 2 327.197 3.419 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895227958 1309247508 /nfs/dbraw/zinc/24/75/08/1309247508.db2.gz HBMLFDLLMOWOHE-JTQLQIEISA-N 1 2 327.197 3.419 20 30 EGEDLO N#Cc1ccc(C(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)nc1 ZINC000793380212 1309360552 /nfs/dbraw/zinc/36/05/52/1309360552.db2.gz YZNIAUOTIWYQCI-UHFFFAOYSA-N 1 2 344.374 3.372 20 30 EGEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2c(Cl)nc3ccccn32)s1 ZINC000794698735 1309578418 /nfs/dbraw/zinc/57/84/18/1309578418.db2.gz BGKIHKNONHJZLC-VOTSOKGWSA-N 1 2 346.843 3.402 20 30 EGEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2ccnn2-c2ccccc2)s1 ZINC000794712520 1309579692 /nfs/dbraw/zinc/57/96/92/1309579692.db2.gz JNRBCLYBXOEGHC-CMDGGOBGSA-N 1 2 338.436 3.287 20 30 EGEDLO N#Cc1ccc(Cl)c(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000795754327 1309828525 /nfs/dbraw/zinc/82/85/25/1309828525.db2.gz WGPWJFVRBAIUBU-UHFFFAOYSA-N 1 2 336.782 3.327 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000796035319 1309888898 /nfs/dbraw/zinc/88/88/98/1309888898.db2.gz DTEAKJNJBDSUAI-KXBFYZLASA-N 1 2 349.858 3.122 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000796035319 1309888904 /nfs/dbraw/zinc/88/89/04/1309888904.db2.gz DTEAKJNJBDSUAI-KXBFYZLASA-N 1 2 349.858 3.122 20 30 EGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000897979779 1310538371 /nfs/dbraw/zinc/53/83/71/1310538371.db2.gz KGCWVSJCYODUFD-LPHOPBHVSA-N 1 2 338.455 3.094 20 30 EGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897979779 1310538379 /nfs/dbraw/zinc/53/83/79/1310538379.db2.gz KGCWVSJCYODUFD-LPHOPBHVSA-N 1 2 338.455 3.094 20 30 EGEDLO CCOc1cccc(C=[NH+]CCCONC(=O)OC(C)(C)C)c1O ZINC000899230475 1310990101 /nfs/dbraw/zinc/99/01/01/1310990101.db2.gz IBVVOINVSFHNNU-LDADJPATSA-N 1 2 338.404 3.056 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]([NH2+]Cc2nc(C3CCCC3)no2)C1 ZINC001019331652 1317173203 /nfs/dbraw/zinc/17/32/03/1317173203.db2.gz AOXAZTOJJLKVAE-HNAYVOBHSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@H]([NH2+]Cc3ncc(C(C)(C)C)o3)C2)C1 ZINC001019352578 1317187120 /nfs/dbraw/zinc/18/71/20/1317187120.db2.gz YRYFOPXMQMWRGO-AWEZNQCLSA-N 1 2 331.460 3.019 20 30 EGEDLO Cc1ccc(C(=O)/C=C/C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000900067505 1317231595 /nfs/dbraw/zinc/23/15/95/1317231595.db2.gz WXURQKOUZQOKLS-CMDGGOBGSA-N 1 2 349.434 3.046 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccsc2C(F)(F)F)C1 ZINC000957322489 1317283712 /nfs/dbraw/zinc/28/37/12/1317283712.db2.gz QIJFHJXKUVEXCT-UHFFFAOYSA-N 1 2 332.391 3.489 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(-c3cccs3)o2)C1 ZINC000957340811 1317296038 /nfs/dbraw/zinc/29/60/38/1317296038.db2.gz PLYMIUQNFNAFHL-UHFFFAOYSA-N 1 2 328.437 3.178 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)C2CC(c3ccc(F)cc3)C2)C1 ZINC000957455661 1317376911 /nfs/dbraw/zinc/37/69/11/1317376911.db2.gz MMOBBEYFRHCDKZ-UHFFFAOYSA-N 1 2 330.447 3.428 20 30 EGEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2Cc3cccc(Cl)c3C2)cc1 ZINC000805805461 1317426206 /nfs/dbraw/zinc/42/62/06/1317426206.db2.gz SLRUQUKYDZMBLJ-MRXNPFEDSA-N 1 2 342.826 3.162 20 30 EGEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2Cc3cccc(Cl)c3C2)cc1 ZINC000805805461 1317426211 /nfs/dbraw/zinc/42/62/11/1317426211.db2.gz SLRUQUKYDZMBLJ-MRXNPFEDSA-N 1 2 342.826 3.162 20 30 EGEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1c(F)cccc1N1CCOCC1 ZINC000901479993 1317434153 /nfs/dbraw/zinc/43/41/53/1317434153.db2.gz LYYSJPONHPTUBF-SREVYHEPSA-N 1 2 343.402 3.336 20 30 EGEDLO CCn1c[nH+]cc1/C=C\C(=O)c1ccc(N2CCCOC2=O)cc1 ZINC000901514963 1317437389 /nfs/dbraw/zinc/43/73/89/1317437389.db2.gz XRJBNPZPFMHRRO-HJWRWDBZSA-N 1 2 325.368 3.146 20 30 EGEDLO CCCCCCCCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000806332664 1317481617 /nfs/dbraw/zinc/48/16/17/1317481617.db2.gz QCQFSQMPDXMXBU-MSOLQXFVSA-N 1 2 339.524 3.242 20 30 EGEDLO Cc1cccn2c(/C=C\C(=O)c3cccc(-n4ccnn4)c3)c[nH+]c12 ZINC000806576147 1317505406 /nfs/dbraw/zinc/50/54/06/1317505406.db2.gz VRGDTAQDOKKKMY-FPLPWBNLSA-N 1 2 329.363 3.120 20 30 EGEDLO N#CCCCOc1ccc[nH+]c1NCc1cnn(CC2CCC2)c1 ZINC000902068141 1317516158 /nfs/dbraw/zinc/51/61/58/1317516158.db2.gz VSMHTAQPIFQBFW-UHFFFAOYSA-N 1 2 325.416 3.373 20 30 EGEDLO C#C[C@H](NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)C(C)(C)C ZINC000808314059 1317660294 /nfs/dbraw/zinc/66/02/94/1317660294.db2.gz LPKMQEMBQGQCGG-IRXDYDNUSA-N 1 2 338.455 3.051 20 30 EGEDLO N#Cc1cccc(C[NH2+]Cc2nc3ccccn3c2Br)c1 ZINC000809604136 1317842607 /nfs/dbraw/zinc/84/26/07/1317842607.db2.gz FSVCROVFYYUAAU-UHFFFAOYSA-N 1 2 341.212 3.258 20 30 EGEDLO C#C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1CCCO1 ZINC000809980101 1317929582 /nfs/dbraw/zinc/92/95/82/1317929582.db2.gz HZHMUHGPMVXXSR-QWHCGFSZSA-N 1 2 329.183 3.172 20 30 EGEDLO C(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1cccc(Oc2ccccn2)c1 ZINC000905457014 1317961351 /nfs/dbraw/zinc/96/13/51/1317961351.db2.gz QZLRWMUYTDXAJJ-CALCHBBNSA-N 1 2 335.411 3.068 20 30 EGEDLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(C#N)c(F)c2)c1C ZINC000810253212 1317986731 /nfs/dbraw/zinc/98/67/31/1317986731.db2.gz OFFUKFREVJFRFY-UHFFFAOYSA-N 1 2 328.347 3.040 20 30 EGEDLO C#Cc1ccccc1CC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000810452076 1318010431 /nfs/dbraw/zinc/01/04/31/1318010431.db2.gz CCKPRDOJUVZEBR-HXUWFJFHSA-N 1 2 343.430 3.044 20 30 EGEDLO CCOC(=O)c1ccc(N[NH+]=Cc2cnc(N(C)C)s2)cc1C ZINC000812228091 1318347246 /nfs/dbraw/zinc/34/72/46/1318347246.db2.gz BYBUHHKSKOYSLU-UHFFFAOYSA-N 1 2 332.429 3.140 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccn(C(C)C)n1 ZINC000960786910 1318887951 /nfs/dbraw/zinc/88/79/51/1318887951.db2.gz GKKXQNJCNJGVLL-KRWDZBQOSA-N 1 2 332.492 3.099 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccn(C(C)C)n1 ZINC000960786910 1318887957 /nfs/dbraw/zinc/88/79/57/1318887957.db2.gz GKKXQNJCNJGVLL-KRWDZBQOSA-N 1 2 332.492 3.099 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ncc(CC)o1 ZINC000960787926 1318889863 /nfs/dbraw/zinc/88/98/63/1318889863.db2.gz PDGUCDWRIRDBTE-OAHLLOKOSA-N 1 2 333.476 3.262 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ncc(CC)o1 ZINC000960787926 1318889875 /nfs/dbraw/zinc/88/98/75/1318889875.db2.gz PDGUCDWRIRDBTE-OAHLLOKOSA-N 1 2 333.476 3.262 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000960905043 1319047016 /nfs/dbraw/zinc/04/70/16/1319047016.db2.gz IAPGLBWPJKNRHM-BEFAXECRSA-N 1 2 345.462 3.412 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000960905043 1319047023 /nfs/dbraw/zinc/04/70/23/1319047023.db2.gz IAPGLBWPJKNRHM-BEFAXECRSA-N 1 2 345.462 3.412 20 30 EGEDLO Cc1cccc(CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])c1 ZINC000914596983 1319352521 /nfs/dbraw/zinc/35/25/21/1319352521.db2.gz XWRPXTGANMICHM-UHFFFAOYSA-N 1 2 346.434 3.155 20 30 EGEDLO Cc1ccc(CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])cc1 ZINC000914596572 1319353075 /nfs/dbraw/zinc/35/30/75/1319353075.db2.gz SONJNBFNHBIYQE-UHFFFAOYSA-N 1 2 346.434 3.155 20 30 EGEDLO C#C[C@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000820572005 1319913915 /nfs/dbraw/zinc/91/39/15/1319913915.db2.gz AAXKPPPTVKZSKC-SJORKVTESA-N 1 2 342.830 3.258 20 30 EGEDLO CC(C)(C)c1csc(NC(=O)NCCCn2cc[nH+]c2)c1C#N ZINC000821487417 1320017179 /nfs/dbraw/zinc/01/71/79/1320017179.db2.gz CTVQFMRGPXASFP-UHFFFAOYSA-N 1 2 331.445 3.326 20 30 EGEDLO C=CCOc1ccc(CC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000822725954 1320118161 /nfs/dbraw/zinc/11/81/61/1320118161.db2.gz LAFGMTGZZXEOII-GOSISDBHSA-N 1 2 341.455 3.222 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C#CC(C)(C)C)C[C@H](C)O1 ZINC000837349868 1320601649 /nfs/dbraw/zinc/60/16/49/1320601649.db2.gz QEKMZSXUDSSOQT-IYBDPMFKSA-N 1 2 328.456 3.284 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C#CC(C)(C)C)C[C@H](C)O1 ZINC000837349868 1320601652 /nfs/dbraw/zinc/60/16/52/1320601652.db2.gz QEKMZSXUDSSOQT-IYBDPMFKSA-N 1 2 328.456 3.284 20 30 EGEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000839601073 1320943552 /nfs/dbraw/zinc/94/35/52/1320943552.db2.gz JCGSZFSJRVWQJH-FXAWDEMLSA-N 1 2 348.446 3.150 20 30 EGEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000839601073 1320943556 /nfs/dbraw/zinc/94/35/56/1320943556.db2.gz JCGSZFSJRVWQJH-FXAWDEMLSA-N 1 2 348.446 3.150 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)CN1C(=O)[C@@H](C2CC2)[C@H]1C1CC1 ZINC000839971195 1321005876 /nfs/dbraw/zinc/00/58/76/1321005876.db2.gz USBZOXHAXNIHAY-VQTJNVASSA-N 1 2 340.467 3.288 20 30 EGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)CN1C(=O)[C@@H](C2CC2)[C@H]1C1CC1 ZINC000839971195 1321005881 /nfs/dbraw/zinc/00/58/81/1321005881.db2.gz USBZOXHAXNIHAY-VQTJNVASSA-N 1 2 340.467 3.288 20 30 EGEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000840283185 1321066048 /nfs/dbraw/zinc/06/60/48/1321066048.db2.gz VCLYJUDJMGBFLX-RCCFBDPRSA-N 1 2 336.439 3.089 20 30 EGEDLO C[C@H]1[C@@H](C)[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C[C@H]1C ZINC000842166256 1321356508 /nfs/dbraw/zinc/35/65/08/1321356508.db2.gz JVWBDPYOHFJDFU-SYQHCUMBSA-N 1 2 327.453 3.449 20 30 EGEDLO C[C@H]1[C@@H](C)[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C[C@H]1C ZINC000842166256 1321356513 /nfs/dbraw/zinc/35/65/13/1321356513.db2.gz JVWBDPYOHFJDFU-SYQHCUMBSA-N 1 2 327.453 3.449 20 30 EGEDLO C[C@H](CC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)n1cc[nH+]c1 ZINC000845463070 1321710390 /nfs/dbraw/zinc/71/03/90/1321710390.db2.gz QWQUWFMOSLGVTG-ZYHUDNBSSA-N 1 2 328.372 3.459 20 30 EGEDLO Cc1nc(NCc2cccc(C(=O)OCC3(CC#N)CC3)c2)cc[nH+]1 ZINC000849756569 1322142407 /nfs/dbraw/zinc/14/24/07/1322142407.db2.gz JWYMMJOURMYBTJ-UHFFFAOYSA-N 1 2 336.395 3.248 20 30 EGEDLO C=CCC1([NH2+]Cc2cccc(Br)c2O)CCOCC1 ZINC000850369329 1322235579 /nfs/dbraw/zinc/23/55/79/1322235579.db2.gz VPVYEGLDMWQTOX-UHFFFAOYSA-N 1 2 326.234 3.370 20 30 EGEDLO Cc1ccc(C(=O)OCC2CCN(c3cccc[nH+]3)CC2)cc1C#N ZINC000851400941 1323033640 /nfs/dbraw/zinc/03/36/40/1323033640.db2.gz XPRFIUDARAYIHR-UHFFFAOYSA-N 1 2 335.407 3.335 20 30 EGEDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2cc(Cl)ccc2OCC#N)n1 ZINC000852147937 1323154490 /nfs/dbraw/zinc/15/44/90/1323154490.db2.gz XTKWGGRRBJSSJN-UHFFFAOYSA-N 1 2 346.818 3.071 20 30 EGEDLO N#Cc1sccc1N1CC[NH+](C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000852344549 1323179726 /nfs/dbraw/zinc/17/97/26/1323179726.db2.gz TZMINCUXHMARLO-MRXNPFEDSA-N 1 2 347.871 3.129 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccco2)c(F)c1 ZINC001024304112 1323287517 /nfs/dbraw/zinc/28/75/17/1323287517.db2.gz VUXJOMONMMLVPG-MRXNPFEDSA-N 1 2 341.386 3.075 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccco2)c(F)c1 ZINC001024304112 1323287522 /nfs/dbraw/zinc/28/75/22/1323287522.db2.gz VUXJOMONMMLVPG-MRXNPFEDSA-N 1 2 341.386 3.075 20 30 EGEDLO C=CCCc1ccccc1NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000931289098 1329087137 /nfs/dbraw/zinc/08/71/37/1329087137.db2.gz XOOITYWRPBFAAX-KRWDZBQOSA-N 1 2 331.460 3.038 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(Cl)cn1C ZINC001024541734 1323484722 /nfs/dbraw/zinc/48/47/22/1323484722.db2.gz PMHRGBCDPCNURV-ZDUSSCGKSA-N 1 2 330.259 3.015 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(Cl)cn1C ZINC001024541734 1323484728 /nfs/dbraw/zinc/48/47/28/1323484728.db2.gz PMHRGBCDPCNURV-ZDUSSCGKSA-N 1 2 330.259 3.015 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2[nH]nc(C)c2c1 ZINC001024548891 1323490346 /nfs/dbraw/zinc/49/03/46/1323490346.db2.gz KCRKCHVTYZHIHE-OAHLLOKOSA-N 1 2 346.862 3.208 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2[nH]nc(C)c2c1 ZINC001024548891 1323490350 /nfs/dbraw/zinc/49/03/50/1323490350.db2.gz KCRKCHVTYZHIHE-OAHLLOKOSA-N 1 2 346.862 3.208 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc2c1O[C@H](C)C2 ZINC001024561154 1323500478 /nfs/dbraw/zinc/50/04/78/1323500478.db2.gz LJAJWUSARWOQJJ-GDBMZVCRSA-N 1 2 348.874 3.347 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc2c1O[C@H](C)C2 ZINC001024561154 1323500483 /nfs/dbraw/zinc/50/04/83/1323500483.db2.gz LJAJWUSARWOQJJ-GDBMZVCRSA-N 1 2 348.874 3.347 20 30 EGEDLO Cc1ncccc1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001024629947 1323555069 /nfs/dbraw/zinc/55/50/69/1323555069.db2.gz HOMDBHZOKXIBJJ-IBGZPJMESA-N 1 2 348.450 3.046 20 30 EGEDLO Cc1ncccc1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001024629947 1323555073 /nfs/dbraw/zinc/55/50/73/1323555073.db2.gz HOMDBHZOKXIBJJ-IBGZPJMESA-N 1 2 348.450 3.046 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccncc1Cl ZINC001024679008 1323592444 /nfs/dbraw/zinc/59/24/44/1323592444.db2.gz RNRQVNDTVBOJSV-GFCCVEGCSA-N 1 2 328.243 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccncc1Cl ZINC001024679008 1323592447 /nfs/dbraw/zinc/59/24/47/1323592447.db2.gz RNRQVNDTVBOJSV-GFCCVEGCSA-N 1 2 328.243 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1c(C)nsc1C ZINC001024816109 1323718228 /nfs/dbraw/zinc/71/82/28/1323718228.db2.gz BRNIHPHNEPBSJI-CYBMUJFWSA-N 1 2 327.881 3.097 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(C)nsc1C ZINC001024816109 1323718231 /nfs/dbraw/zinc/71/82/31/1323718231.db2.gz BRNIHPHNEPBSJI-CYBMUJFWSA-N 1 2 327.881 3.097 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1Cc2cccc(C)c2O1 ZINC001024830522 1323733071 /nfs/dbraw/zinc/73/30/71/1323733071.db2.gz SQQONVXWTDVCBS-DLBZAZTESA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1Cc2cccc(C)c2O1 ZINC001024830522 1323733077 /nfs/dbraw/zinc/73/30/77/1323733077.db2.gz SQQONVXWTDVCBS-DLBZAZTESA-N 1 2 348.874 3.022 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCCC[C@H]1C[NH2+]Cc1nc(C(C)C)no1 ZINC001025070317 1323872129 /nfs/dbraw/zinc/87/21/29/1323872129.db2.gz XRMWIGJCTDFAMR-HNAYVOBHSA-N 1 2 348.491 3.266 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nc(CCC)no1 ZINC001025070145 1323872161 /nfs/dbraw/zinc/87/21/61/1323872161.db2.gz VJLDBNHHEGIVBK-BEFAXECRSA-N 1 2 348.491 3.095 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](O)c1cccc(OC)c1 ZINC000853315466 1325080168 /nfs/dbraw/zinc/08/01/68/1325080168.db2.gz SOWDMGMWHIIVHS-KRWDZBQOSA-N 1 2 326.396 3.028 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@](C)(O)c1ccc(F)cc1 ZINC000853461688 1325097720 /nfs/dbraw/zinc/09/77/20/1325097720.db2.gz XFDBAQHXDPYPFI-IBGZPJMESA-N 1 2 328.387 3.333 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](C)NC(=O)OC(C)(C)C ZINC000853558675 1325122767 /nfs/dbraw/zinc/12/27/67/1325122767.db2.gz JAHJKHMFVUJFPW-AWEZNQCLSA-N 1 2 333.432 3.199 20 30 EGEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2csc(C(C)(C)C)n2)C1 ZINC001027330509 1325488077 /nfs/dbraw/zinc/48/80/77/1325488077.db2.gz RKWFHWOJGOBNQA-UKRRQHHQSA-N 1 2 348.516 3.023 20 30 EGEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2csc(C(C)(C)C)n2)C1 ZINC001027330509 1325488082 /nfs/dbraw/zinc/48/80/82/1325488082.db2.gz RKWFHWOJGOBNQA-UKRRQHHQSA-N 1 2 348.516 3.023 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(Cl)cn2CC)C1 ZINC001034041952 1342182635 /nfs/dbraw/zinc/18/26/35/1342182635.db2.gz LOWGAMGQUWGSCV-CQSZACIVSA-N 1 2 344.286 3.450 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@H]2C)o1 ZINC000964903582 1327761576 /nfs/dbraw/zinc/76/15/76/1327761576.db2.gz JOVWOYXAIAZBLA-VQIMIIECSA-N 1 2 336.435 3.080 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)CC[C@H]2C)o1 ZINC000964903582 1327761580 /nfs/dbraw/zinc/76/15/80/1327761580.db2.gz JOVWOYXAIAZBLA-VQIMIIECSA-N 1 2 336.435 3.080 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([N@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001027522205 1327796751 /nfs/dbraw/zinc/79/67/51/1327796751.db2.gz UJOZALLHSLQFOR-HNNXBMFYSA-N 1 2 331.460 3.187 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001027522205 1327796767 /nfs/dbraw/zinc/79/67/67/1327796767.db2.gz UJOZALLHSLQFOR-HNNXBMFYSA-N 1 2 331.460 3.187 20 30 EGEDLO C#CCC1(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)CCCCC1 ZINC000927085205 1327854267 /nfs/dbraw/zinc/85/42/67/1327854267.db2.gz XNCBBOIFDKSHSC-UHFFFAOYSA-N 1 2 325.456 3.458 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@H+](C)Cc3nc(C)oc3C)C2)CC1 ZINC001027558854 1327867869 /nfs/dbraw/zinc/86/78/69/1327867869.db2.gz JJPFKNBPEZDUST-SFHVURJKSA-N 1 2 345.487 3.461 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@@H+](C)Cc3nc(C)oc3C)C2)CC1 ZINC001027558854 1327867876 /nfs/dbraw/zinc/86/78/76/1327867876.db2.gz JJPFKNBPEZDUST-SFHVURJKSA-N 1 2 345.487 3.461 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]([N@H+](C)Cc2csc(C)n2)C1 ZINC001027560012 1327875880 /nfs/dbraw/zinc/87/58/80/1327875880.db2.gz NIFOTGOPXQNFER-SJLPKXTDSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2csc(C)n2)C1 ZINC001027560012 1327875886 /nfs/dbraw/zinc/87/58/86/1327875886.db2.gz NIFOTGOPXQNFER-SJLPKXTDSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)C1CCCCCC1 ZINC001027787343 1328223560 /nfs/dbraw/zinc/22/35/60/1328223560.db2.gz KYJGIAABUWKBCX-HNNXBMFYSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)C1CCCCCC1 ZINC001027787343 1328223566 /nfs/dbraw/zinc/22/35/66/1328223566.db2.gz KYJGIAABUWKBCX-HNNXBMFYSA-N 1 2 343.309 3.446 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H]1CNC(=O)c1ccoc1Cl ZINC001027850920 1328309246 /nfs/dbraw/zinc/30/92/46/1328309246.db2.gz AMDBTDQQMIUJOX-HNNXBMFYSA-N 1 2 343.814 3.199 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1CNC(=O)c1ccoc1Cl ZINC001027850920 1328309254 /nfs/dbraw/zinc/30/92/54/1328309254.db2.gz AMDBTDQQMIUJOX-HNNXBMFYSA-N 1 2 343.814 3.199 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2c(C)cccc2C)C1 ZINC000966493224 1328322917 /nfs/dbraw/zinc/32/29/17/1328322917.db2.gz UPMCJNCHOIODRL-MAUKXSAKSA-N 1 2 334.891 3.425 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2c(C)cccc2C)C1 ZINC000966493224 1328322924 /nfs/dbraw/zinc/32/29/24/1328322924.db2.gz UPMCJNCHOIODRL-MAUKXSAKSA-N 1 2 334.891 3.425 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1nccc2ccsc21 ZINC001027944237 1328416907 /nfs/dbraw/zinc/41/69/07/1328416907.db2.gz BGZOFIIXXZDWTP-ZDUSSCGKSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1nccc2ccsc21 ZINC001027944237 1328416916 /nfs/dbraw/zinc/41/69/16/1328416916.db2.gz BGZOFIIXXZDWTP-ZDUSSCGKSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1nccc2ccsc21 ZINC001027944236 1328417595 /nfs/dbraw/zinc/41/75/95/1328417595.db2.gz BGZOFIIXXZDWTP-CYBMUJFWSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1nccc2ccsc21 ZINC001027944236 1328417597 /nfs/dbraw/zinc/41/75/97/1328417597.db2.gz BGZOFIIXXZDWTP-CYBMUJFWSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(C)c1cccc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000934883781 1330014811 /nfs/dbraw/zinc/01/48/11/1330014811.db2.gz ZUDUDGHDIYTRLD-MAUKXSAKSA-N 1 2 329.444 3.047 20 30 EGEDLO C#Cc1ccc(NC(=O)N2CC[NH+](Cc3ccccc3OC)CC2)cc1 ZINC000934933528 1330018587 /nfs/dbraw/zinc/01/85/87/1330018587.db2.gz FOYIGHOOLWTBBF-UHFFFAOYSA-N 1 2 349.434 3.026 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C2CCCCC2)C[C@@H]1C ZINC000946997261 1332962036 /nfs/dbraw/zinc/96/20/36/1332962036.db2.gz UILCXXWXIIRKNX-DZGCQCFKSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C2CCCCC2)C[C@@H]1C ZINC000946997261 1332962037 /nfs/dbraw/zinc/96/20/37/1332962037.db2.gz UILCXXWXIIRKNX-DZGCQCFKSA-N 1 2 343.309 3.444 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)C=C2CCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947186084 1333042255 /nfs/dbraw/zinc/04/22/55/1333042255.db2.gz PMBVORVESUKBPX-KUHUBIRLSA-N 1 2 341.430 3.277 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)C=C2CCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947186084 1333042257 /nfs/dbraw/zinc/04/22/57/1333042257.db2.gz PMBVORVESUKBPX-KUHUBIRLSA-N 1 2 341.430 3.277 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cscn3)[C@H](C)C2)CC1 ZINC000947686143 1333223424 /nfs/dbraw/zinc/22/34/24/1333223424.db2.gz UOAFIXCNWZWUMU-ZBFHGGJFSA-N 1 2 333.501 3.359 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cscn3)[C@H](C)C2)CC1 ZINC000947686143 1333223426 /nfs/dbraw/zinc/22/34/26/1333223426.db2.gz UOAFIXCNWZWUMU-ZBFHGGJFSA-N 1 2 333.501 3.359 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3ncc(C4CC4)o3)[C@H](C)C2)C1 ZINC000947702897 1333233825 /nfs/dbraw/zinc/23/38/25/1333233825.db2.gz ULXFFQMFXULCHM-GDBMZVCRSA-N 1 2 343.471 3.377 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3ncc(C4CC4)o3)[C@H](C)C2)C1 ZINC000947702897 1333233831 /nfs/dbraw/zinc/23/38/31/1333233831.db2.gz ULXFFQMFXULCHM-GDBMZVCRSA-N 1 2 343.471 3.377 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1sc(C)cc1C ZINC000948923269 1333735060 /nfs/dbraw/zinc/73/50/60/1333735060.db2.gz DXNQDZVPDXRMJP-SFHVURJKSA-N 1 2 338.476 3.327 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1sc(C)cc1C ZINC000948923269 1333735063 /nfs/dbraw/zinc/73/50/63/1333735063.db2.gz DXNQDZVPDXRMJP-SFHVURJKSA-N 1 2 338.476 3.327 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(OC)cs1 ZINC000948945771 1333743464 /nfs/dbraw/zinc/74/34/64/1333743464.db2.gz BNIFSFDVCJLRQO-QGZVFWFLSA-N 1 2 342.464 3.272 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(OC)cs1 ZINC000948945771 1333743466 /nfs/dbraw/zinc/74/34/66/1333743466.db2.gz BNIFSFDVCJLRQO-QGZVFWFLSA-N 1 2 342.464 3.272 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccn(C(C)C)c1C ZINC000948951152 1333744827 /nfs/dbraw/zinc/74/48/27/1333744827.db2.gz SQOZQIBANUNNKB-NRFANRHFSA-N 1 2 349.478 3.340 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccn(C(C)C)c1C ZINC000948951152 1333744828 /nfs/dbraw/zinc/74/48/28/1333744828.db2.gz SQOZQIBANUNNKB-NRFANRHFSA-N 1 2 349.478 3.340 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1c(C)cccc1C ZINC000948961296 1333749396 /nfs/dbraw/zinc/74/93/96/1333749396.db2.gz JWSYQHXFUXIWLT-HXUWFJFHSA-N 1 2 332.447 3.266 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1c(C)cccc1C ZINC000948961296 1333749399 /nfs/dbraw/zinc/74/93/99/1333749399.db2.gz JWSYQHXFUXIWLT-HXUWFJFHSA-N 1 2 332.447 3.266 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000948969341 1333750967 /nfs/dbraw/zinc/75/09/67/1333750967.db2.gz GTISMPFCWTZWRT-BHIFYINESA-N 1 2 344.458 3.139 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000948969341 1333750970 /nfs/dbraw/zinc/75/09/70/1333750970.db2.gz GTISMPFCWTZWRT-BHIFYINESA-N 1 2 344.458 3.139 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnoc1C(C)C ZINC000948977888 1333754539 /nfs/dbraw/zinc/75/45/39/1333754539.db2.gz DXBHBEPTOPXERV-GOSISDBHSA-N 1 2 339.439 3.313 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnoc1C(C)C ZINC000948977888 1333754542 /nfs/dbraw/zinc/75/45/42/1333754542.db2.gz DXBHBEPTOPXERV-GOSISDBHSA-N 1 2 339.439 3.313 20 30 EGEDLO C#Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)cc1 ZINC000949597328 1333881158 /nfs/dbraw/zinc/88/11/58/1333881158.db2.gz VBNSPCBKOJOWIT-QGZVFWFLSA-N 1 2 348.446 3.196 20 30 EGEDLO C[C@H]1CC[C@H](CC(=O)N2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000949734701 1333908354 /nfs/dbraw/zinc/90/83/54/1333908354.db2.gz VFCATTHLKATLPA-IRXDYDNUSA-N 1 2 325.456 3.029 20 30 EGEDLO C=C1CCC(C(=O)N2CC[NH+](CCOc3ccc(C)cc3)CC2)CC1 ZINC000950047373 1334001076 /nfs/dbraw/zinc/00/10/76/1334001076.db2.gz UJXRNVFMAKMUJX-UHFFFAOYSA-N 1 2 342.483 3.264 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000950051851 1334003730 /nfs/dbraw/zinc/00/37/30/1334003730.db2.gz WWSVWCWPDUOPCD-ZFWWWQNUSA-N 1 2 333.303 3.317 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2c(F)ccc3ccncc32)C1 ZINC000950380886 1334055713 /nfs/dbraw/zinc/05/57/13/1334055713.db2.gz AFLZDGLNQHWWCD-UHFFFAOYSA-N 1 2 327.403 3.096 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(-c3ccccc3)on2)C1 ZINC000950822475 1334137104 /nfs/dbraw/zinc/13/71/04/1334137104.db2.gz YPKRBNXGKJDSKI-UHFFFAOYSA-N 1 2 325.412 3.064 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2ccccc2CC)C1 ZINC000951561390 1334266241 /nfs/dbraw/zinc/26/62/41/1334266241.db2.gz ZHFUNTIUTXWSOL-VQTJNVASSA-N 1 2 326.484 3.461 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1C[NH+](Cc2csc(C)c2)C1 ZINC000953830798 1334860207 /nfs/dbraw/zinc/86/02/07/1334860207.db2.gz JJMWGVQTDXITPX-ROUUACIJSA-N 1 2 348.512 3.070 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC000967339570 1335706735 /nfs/dbraw/zinc/70/67/35/1335706735.db2.gz STNCEKYAXXLJQK-APPDUMDISA-N 1 2 346.862 3.064 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC000967339570 1335706737 /nfs/dbraw/zinc/70/67/37/1335706737.db2.gz STNCEKYAXXLJQK-APPDUMDISA-N 1 2 346.862 3.064 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3nc(C)oc3C)CC[C@@H]2C)CC1 ZINC000968190655 1335868678 /nfs/dbraw/zinc/86/86/78/1335868678.db2.gz LCXILNAXXUEJQM-KBXCAEBGSA-N 1 2 345.487 3.364 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3nc(C)oc3C)CC[C@@H]2C)CC1 ZINC000968190655 1335868681 /nfs/dbraw/zinc/86/86/81/1335868681.db2.gz LCXILNAXXUEJQM-KBXCAEBGSA-N 1 2 345.487 3.364 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](Cc3nc(C)cs3)CC[C@@H]2C)C1 ZINC000968213633 1335872932 /nfs/dbraw/zinc/87/29/32/1335872932.db2.gz PSDZNVXIWKVDOV-ZFWWWQNUSA-N 1 2 333.501 3.134 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](Cc3nc(C)cs3)CC[C@@H]2C)C1 ZINC000968213633 1335872936 /nfs/dbraw/zinc/87/29/36/1335872936.db2.gz PSDZNVXIWKVDOV-ZFWWWQNUSA-N 1 2 333.501 3.134 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3csc(C)n3)CC[C@H]2C)C1 ZINC000968272047 1335881513 /nfs/dbraw/zinc/88/15/13/1335881513.db2.gz DMBDKQRMKQDBCL-CZUORRHYSA-N 1 2 333.501 3.134 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3csc(C)n3)CC[C@H]2C)C1 ZINC000968272047 1335881516 /nfs/dbraw/zinc/88/15/16/1335881516.db2.gz DMBDKQRMKQDBCL-CZUORRHYSA-N 1 2 333.501 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC000968332893 1335892246 /nfs/dbraw/zinc/89/22/46/1335892246.db2.gz YYTLGPANESWPCD-MLGOLLRUSA-N 1 2 335.879 3.475 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC000968332893 1335892248 /nfs/dbraw/zinc/89/22/48/1335892248.db2.gz YYTLGPANESWPCD-MLGOLLRUSA-N 1 2 335.879 3.475 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC000968346190 1335896288 /nfs/dbraw/zinc/89/62/88/1335896288.db2.gz SLMZZDNFWBKHCO-YVEFUNNKSA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC000968346190 1335896290 /nfs/dbraw/zinc/89/62/90/1335896290.db2.gz SLMZZDNFWBKHCO-YVEFUNNKSA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2ccsc2C)C1 ZINC000968391390 1335917025 /nfs/dbraw/zinc/91/70/25/1335917025.db2.gz RMHAUJQXJQFNME-NHYWBVRUSA-N 1 2 326.893 3.178 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2ccsc2C)C1 ZINC000968391390 1335917027 /nfs/dbraw/zinc/91/70/27/1335917027.db2.gz RMHAUJQXJQFNME-NHYWBVRUSA-N 1 2 326.893 3.178 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3ncsc3c2)C1 ZINC000968613226 1335984173 /nfs/dbraw/zinc/98/41/73/1335984173.db2.gz BLNNBPCGLHAGLI-NHYWBVRUSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3ncsc3c2)C1 ZINC000968613226 1335984176 /nfs/dbraw/zinc/98/41/76/1335984176.db2.gz BLNNBPCGLHAGLI-NHYWBVRUSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2ccc3c(c2)CCC3)C1 ZINC000968638575 1335991761 /nfs/dbraw/zinc/99/17/61/1335991761.db2.gz ABECULVKQVWWHP-LIRRHRJNSA-N 1 2 346.902 3.297 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2ccc3c(c2)CCC3)C1 ZINC000968638575 1335991766 /nfs/dbraw/zinc/99/17/66/1335991766.db2.gz ABECULVKQVWWHP-LIRRHRJNSA-N 1 2 346.902 3.297 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc3cnccc32)C1 ZINC000968651383 1335997759 /nfs/dbraw/zinc/99/77/59/1335997759.db2.gz HRRBFVYFTPUIHM-FZKQIMNGSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc3cnccc32)C1 ZINC000968651383 1335997763 /nfs/dbraw/zinc/99/77/63/1335997763.db2.gz HRRBFVYFTPUIHM-FZKQIMNGSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1c(F)cncc1F ZINC000968877193 1336075754 /nfs/dbraw/zinc/07/57/54/1336075754.db2.gz PXMXUKZFUVEBDT-LBPRGKRZSA-N 1 2 343.805 3.087 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1c(F)cncc1F ZINC000968877193 1336075756 /nfs/dbraw/zinc/07/57/56/1336075756.db2.gz PXMXUKZFUVEBDT-LBPRGKRZSA-N 1 2 343.805 3.087 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1coc(C2CC2)n1 ZINC000969061551 1336134570 /nfs/dbraw/zinc/13/45/70/1336134570.db2.gz BNBJZEONRKADEF-AWEZNQCLSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1coc(C2CC2)n1 ZINC000969061551 1336134572 /nfs/dbraw/zinc/13/45/72/1336134572.db2.gz BNBJZEONRKADEF-AWEZNQCLSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1nc(C)oc1C ZINC000969087835 1336139012 /nfs/dbraw/zinc/13/90/12/1336139012.db2.gz GGYYEXHYNFTFLA-CQSZACIVSA-N 1 2 325.840 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1nc(C)oc1C ZINC000969087835 1336139014 /nfs/dbraw/zinc/13/90/14/1336139014.db2.gz GGYYEXHYNFTFLA-CQSZACIVSA-N 1 2 325.840 3.018 20 30 EGEDLO C[C@H](NC(=O)C1CC(C)(C)C1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969611638 1336228809 /nfs/dbraw/zinc/22/88/09/1336228809.db2.gz FDMYFWIBVCRYOR-ZDUSSCGKSA-N 1 2 343.446 3.070 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2nsc3ccccc32)C1 ZINC000969739704 1336241249 /nfs/dbraw/zinc/24/12/49/1336241249.db2.gz STLZIUVDLDFJAR-LLVKDONJSA-N 1 2 335.860 3.099 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2scnc2C(C)(C)C)C1 ZINC000970543909 1336319775 /nfs/dbraw/zinc/31/97/75/1336319775.db2.gz DFKFYFOEEJONQI-LLVKDONJSA-N 1 2 341.908 3.243 20 30 EGEDLO CN(C(=O)C1(C)CCC1)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001005831730 1336406090 /nfs/dbraw/zinc/40/60/90/1336406090.db2.gz FUXCPWPMSCPTFG-UHFFFAOYSA-N 1 2 343.446 3.310 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC2(C)C)CC1 ZINC001005850037 1336409644 /nfs/dbraw/zinc/40/96/44/1336409644.db2.gz XPLMWVYJOGSTFK-CQSZACIVSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2CC[NH+]([C@H](C)c3nnc(C)s3)CC2)C1 ZINC001005962952 1336430594 /nfs/dbraw/zinc/43/05/94/1336430594.db2.gz CZAWXVYGQBYIEC-CYBMUJFWSA-N 1 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1336545276 /nfs/dbraw/zinc/54/52/76/1336545276.db2.gz IVXMYNLTDMTUEA-IBGZPJMESA-N 1 2 325.456 3.219 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)c3ccsc3)C2)ccc1F ZINC001006674786 1336553936 /nfs/dbraw/zinc/55/39/36/1336553936.db2.gz BQMYQVHJEKDBHS-INIZCTEOSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1cc(C[N@H+]2CCC[C@H](NC(=O)c3ccsc3)C2)ccc1F ZINC001006674786 1336553939 /nfs/dbraw/zinc/55/39/39/1336553939.db2.gz BQMYQVHJEKDBHS-INIZCTEOSA-N 1 2 343.427 3.153 20 30 EGEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CC=CCC1 ZINC001006713451 1336561356 /nfs/dbraw/zinc/56/13/56/1336561356.db2.gz BGUDXTZVOXWKPZ-ICSRJNTNSA-N 1 2 340.442 3.114 20 30 EGEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CC=CCC1 ZINC001006713451 1336561359 /nfs/dbraw/zinc/56/13/59/1336561359.db2.gz BGUDXTZVOXWKPZ-ICSRJNTNSA-N 1 2 340.442 3.114 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001008137085 1336777470 /nfs/dbraw/zinc/77/74/70/1336777470.db2.gz UZQMNWMZIUCHNB-AWEZNQCLSA-N 1 2 335.810 3.254 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001008137085 1336777471 /nfs/dbraw/zinc/77/74/71/1336777471.db2.gz UZQMNWMZIUCHNB-AWEZNQCLSA-N 1 2 335.810 3.254 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC001008402334 1336843792 /nfs/dbraw/zinc/84/37/92/1336843792.db2.gz AMOSQSXMZCGYQK-HXUWFJFHSA-N 1 2 337.467 3.385 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC001008402334 1336843793 /nfs/dbraw/zinc/84/37/93/1336843793.db2.gz AMOSQSXMZCGYQK-HXUWFJFHSA-N 1 2 337.467 3.385 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2ccc(F)cc2Cl)C1 ZINC001008411415 1336845212 /nfs/dbraw/zinc/84/52/12/1336845212.db2.gz MEYQUKDIOOEXIB-AWEZNQCLSA-N 1 2 345.245 3.355 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(F)cc2Cl)C1 ZINC001008411415 1336845216 /nfs/dbraw/zinc/84/52/16/1336845216.db2.gz MEYQUKDIOOEXIB-AWEZNQCLSA-N 1 2 345.245 3.355 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)C2CCC(F)CC2)C1 ZINC001008428602 1336850690 /nfs/dbraw/zinc/85/06/90/1336850690.db2.gz MBGKYZGLUZBSNE-PPSBMQLTSA-N 1 2 343.446 3.167 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)C2CCC(F)CC2)C1 ZINC001008428602 1336850693 /nfs/dbraw/zinc/85/06/93/1336850693.db2.gz MBGKYZGLUZBSNE-PPSBMQLTSA-N 1 2 343.446 3.167 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001008436287 1336852856 /nfs/dbraw/zinc/85/28/56/1336852856.db2.gz DUHLNUMDMJZZFK-KRWDZBQOSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001008436287 1336852859 /nfs/dbraw/zinc/85/28/59/1336852859.db2.gz DUHLNUMDMJZZFK-KRWDZBQOSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001008609945 1336892696 /nfs/dbraw/zinc/89/26/96/1336892696.db2.gz KDEDDYJCCZPLJZ-IPMKNSEASA-N 1 2 349.434 3.036 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001008609945 1336892699 /nfs/dbraw/zinc/89/26/99/1336892699.db2.gz KDEDDYJCCZPLJZ-IPMKNSEASA-N 1 2 349.434 3.036 20 30 EGEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1CC12CC2 ZINC001008678011 1336909074 /nfs/dbraw/zinc/90/90/74/1336909074.db2.gz RJBFLJUSZCMSQJ-ROUUACIJSA-N 1 2 342.870 3.072 20 30 EGEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1CC12CC2 ZINC001008678011 1336909075 /nfs/dbraw/zinc/90/90/75/1336909075.db2.gz RJBFLJUSZCMSQJ-ROUUACIJSA-N 1 2 342.870 3.072 20 30 EGEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1CC12CC2 ZINC001008677999 1336909196 /nfs/dbraw/zinc/90/91/96/1336909196.db2.gz RISMPQKUJYPZOE-MSOLQXFVSA-N 1 2 342.870 3.072 20 30 EGEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1CC12CC2 ZINC001008677999 1336909199 /nfs/dbraw/zinc/90/91/99/1336909199.db2.gz RISMPQKUJYPZOE-MSOLQXFVSA-N 1 2 342.870 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc(N(CC)CC)cc2)C1 ZINC001009324525 1337006789 /nfs/dbraw/zinc/00/67/89/1337006789.db2.gz OJLLGXBLINENKE-KRWDZBQOSA-N 1 2 349.906 3.480 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(N(CC)CC)cc2)C1 ZINC001009324525 1337006792 /nfs/dbraw/zinc/00/67/92/1337006792.db2.gz OJLLGXBLINENKE-KRWDZBQOSA-N 1 2 349.906 3.480 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC001015420702 1338133616 /nfs/dbraw/zinc/13/36/16/1338133616.db2.gz FBSGYXBVPLDUAT-LJQANCHMSA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC001015420702 1338133620 /nfs/dbraw/zinc/13/36/20/1338133620.db2.gz FBSGYXBVPLDUAT-LJQANCHMSA-N 1 2 337.467 3.219 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2nsc3ccc(C)cc32)C1 ZINC001015513079 1338164566 /nfs/dbraw/zinc/16/45/66/1338164566.db2.gz ZHUSRZATHPUFNW-GFCCVEGCSA-N 1 2 335.860 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2nsc3ccc(C)cc32)C1 ZINC001015513079 1338164569 /nfs/dbraw/zinc/16/45/69/1338164569.db2.gz ZHUSRZATHPUFNW-GFCCVEGCSA-N 1 2 335.860 3.161 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[C@@H]3CC=CCC3)C2)c(F)c1 ZINC001015527107 1338167979 /nfs/dbraw/zinc/16/79/79/1338167979.db2.gz LIMTYEROWOYWFI-QAPCUYQASA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C[C@@H]3CC=CCC3)C2)c(F)c1 ZINC001015527107 1338167980 /nfs/dbraw/zinc/16/79/80/1338167980.db2.gz LIMTYEROWOYWFI-QAPCUYQASA-N 1 2 341.430 3.134 20 30 EGEDLO CC1(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)CCCCC1 ZINC001015650191 1338229504 /nfs/dbraw/zinc/22/95/04/1338229504.db2.gz MDDCWWKJIFTJFT-IBGZPJMESA-N 1 2 342.458 3.338 20 30 EGEDLO CC1(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)CCCCC1 ZINC001015650191 1338229508 /nfs/dbraw/zinc/22/95/08/1338229508.db2.gz MDDCWWKJIFTJFT-IBGZPJMESA-N 1 2 342.458 3.338 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3cc(O)ccc3Cl)C2)C1 ZINC001015675928 1338252562 /nfs/dbraw/zinc/25/25/62/1338252562.db2.gz DXJSMACGWCRXIC-AWEZNQCLSA-N 1 2 334.847 3.092 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3cc(O)ccc3Cl)C2)C1 ZINC001015675928 1338252567 /nfs/dbraw/zinc/25/25/67/1338252567.db2.gz DXJSMACGWCRXIC-AWEZNQCLSA-N 1 2 334.847 3.092 20 30 EGEDLO CCc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1 ZINC001016152550 1338479208 /nfs/dbraw/zinc/47/92/08/1338479208.db2.gz JRVCXZWFDVXBFJ-FQEVSTJZSA-N 1 2 333.435 3.125 20 30 EGEDLO CCc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cc1 ZINC001016152550 1338479209 /nfs/dbraw/zinc/47/92/09/1338479209.db2.gz JRVCXZWFDVXBFJ-FQEVSTJZSA-N 1 2 333.435 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(OCC3CC3)cc2)C1 ZINC001016293818 1338537303 /nfs/dbraw/zinc/53/73/03/1338537303.db2.gz DDVPVPRPBVOFGU-MRXNPFEDSA-N 1 2 334.847 3.032 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(OCC3CC3)cc2)C1 ZINC001016293818 1338537312 /nfs/dbraw/zinc/53/73/12/1338537312.db2.gz DDVPVPRPBVOFGU-MRXNPFEDSA-N 1 2 334.847 3.032 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC001016299676 1338539779 /nfs/dbraw/zinc/53/97/79/1338539779.db2.gz BMKRUPKZEFUOBD-KWCYVHTRSA-N 1 2 340.801 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC001016299676 1338539783 /nfs/dbraw/zinc/53/97/83/1338539783.db2.gz BMKRUPKZEFUOBD-KWCYVHTRSA-N 1 2 340.801 3.011 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)c2cccc(Cl)c2)C1 ZINC001016309129 1338543020 /nfs/dbraw/zinc/54/30/20/1338543020.db2.gz UFXWHIMKKGILPB-DOMZBBRYSA-N 1 2 327.255 3.387 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2cccc(Cl)c2)C1 ZINC001016309129 1338543022 /nfs/dbraw/zinc/54/30/22/1338543022.db2.gz UFXWHIMKKGILPB-DOMZBBRYSA-N 1 2 327.255 3.387 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC001017760696 1339413158 /nfs/dbraw/zinc/41/31/58/1339413158.db2.gz HRSJWSHHNSYHGN-YRPNKDGESA-N 1 2 340.442 3.018 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC001017760696 1339413161 /nfs/dbraw/zinc/41/31/61/1339413161.db2.gz HRSJWSHHNSYHGN-YRPNKDGESA-N 1 2 340.442 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cncc2sccc21 ZINC001028096483 1340424397 /nfs/dbraw/zinc/42/43/97/1340424397.db2.gz BXGZNVHUJBAJCL-LBPRGKRZSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cncc2sccc21 ZINC001028096483 1340424398 /nfs/dbraw/zinc/42/43/98/1340424398.db2.gz BXGZNVHUJBAJCL-LBPRGKRZSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc(Cl)c1F ZINC001028110895 1340433975 /nfs/dbraw/zinc/43/39/75/1340433975.db2.gz GQXUIZTVDHGQMJ-NSHDSACASA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(Cl)c1F ZINC001028110895 1340433977 /nfs/dbraw/zinc/43/39/77/1340433977.db2.gz GQXUIZTVDHGQMJ-NSHDSACASA-N 1 2 331.218 3.426 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@H+]2[C@@H](C)c2nnc(CC)o2)CC1 ZINC001028116981 1340438183 /nfs/dbraw/zinc/43/81/83/1340438183.db2.gz LPQJKOLJYDNZLF-GOEBONIOSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H](C)c2nnc(CC)o2)CC1 ZINC001028116981 1340438185 /nfs/dbraw/zinc/43/81/85/1340438185.db2.gz LPQJKOLJYDNZLF-GOEBONIOSA-N 1 2 346.475 3.020 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1CNC(=O)c1occc1Cl ZINC001028119118 1340439995 /nfs/dbraw/zinc/43/99/95/1340439995.db2.gz MLHXYTNPFAWTDT-OAHLLOKOSA-N 1 2 343.814 3.199 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1CNC(=O)c1occc1Cl ZINC001028119118 1340439996 /nfs/dbraw/zinc/43/99/96/1340439996.db2.gz MLHXYTNPFAWTDT-OAHLLOKOSA-N 1 2 343.814 3.199 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C(C)C)nc1C ZINC001028141815 1340450937 /nfs/dbraw/zinc/45/09/37/1340450937.db2.gz RKAPDAUUTFDHFY-HNNXBMFYSA-N 1 2 335.879 3.460 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C(C)C)nc1C ZINC001028141815 1340450938 /nfs/dbraw/zinc/45/09/38/1340450938.db2.gz RKAPDAUUTFDHFY-HNNXBMFYSA-N 1 2 335.879 3.460 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2ccncc2c1 ZINC001028245855 1340507343 /nfs/dbraw/zinc/50/73/43/1340507343.db2.gz KXLFMLITHCZPRS-QGZVFWFLSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2ccncc2c1 ZINC001028245855 1340507346 /nfs/dbraw/zinc/50/73/46/1340507346.db2.gz KXLFMLITHCZPRS-QGZVFWFLSA-N 1 2 329.831 3.182 20 30 EGEDLO O=C(C1CCCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029194041 1340952197 /nfs/dbraw/zinc/95/21/97/1340952197.db2.gz OZBAUBLAOFLLBP-OYRHEFFESA-N 1 2 336.479 3.294 20 30 EGEDLO O=C(C1CCCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029194041 1340952199 /nfs/dbraw/zinc/95/21/99/1340952199.db2.gz OZBAUBLAOFLLBP-OYRHEFFESA-N 1 2 336.479 3.294 20 30 EGEDLO C[C@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001029199327 1340953278 /nfs/dbraw/zinc/95/32/78/1340953278.db2.gz IFXCPGXFXXGQRZ-WQANXHIZSA-N 1 2 342.870 3.023 20 30 EGEDLO C[C@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001029199327 1340953280 /nfs/dbraw/zinc/95/32/80/1340953280.db2.gz IFXCPGXFXXGQRZ-WQANXHIZSA-N 1 2 342.870 3.023 20 30 EGEDLO CCC(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001029215159 1340956474 /nfs/dbraw/zinc/95/64/74/1340956474.db2.gz AABPNGINSWSJMB-HDICACEKSA-N 1 2 343.446 3.309 20 30 EGEDLO CCC(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001029215159 1340956475 /nfs/dbraw/zinc/95/64/75/1340956475.db2.gz AABPNGINSWSJMB-HDICACEKSA-N 1 2 343.446 3.309 20 30 EGEDLO C/C=C(\C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001029262424 1340963422 /nfs/dbraw/zinc/96/34/22/1340963422.db2.gz QEKORXQPQVDVJD-GZEVZEKLSA-N 1 2 342.870 3.333 20 30 EGEDLO C/C=C(\C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001029262424 1340963423 /nfs/dbraw/zinc/96/34/23/1340963423.db2.gz QEKORXQPQVDVJD-GZEVZEKLSA-N 1 2 342.870 3.333 20 30 EGEDLO CCc1occc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029292130 1340967664 /nfs/dbraw/zinc/96/76/64/1340967664.db2.gz ANNCDJJISFYSRY-KDURUIRLSA-N 1 2 348.446 3.183 20 30 EGEDLO CCc1occc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029292130 1340967665 /nfs/dbraw/zinc/96/76/65/1340967665.db2.gz ANNCDJJISFYSRY-KDURUIRLSA-N 1 2 348.446 3.183 20 30 EGEDLO CC(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029322251 1340971698 /nfs/dbraw/zinc/97/16/98/1340971698.db2.gz IOKXZRARHIHQHR-BGYRXZFFSA-N 1 2 338.495 3.396 20 30 EGEDLO CC(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029322251 1340971699 /nfs/dbraw/zinc/97/16/99/1340971699.db2.gz IOKXZRARHIHQHR-BGYRXZFFSA-N 1 2 338.495 3.396 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccns1 ZINC001029323181 1340972109 /nfs/dbraw/zinc/97/21/09/1340972109.db2.gz SCZBCKUJRHWZEU-BETUJISGSA-N 1 2 339.892 3.097 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccns1 ZINC001029323181 1340972110 /nfs/dbraw/zinc/97/21/10/1340972110.db2.gz SCZBCKUJRHWZEU-BETUJISGSA-N 1 2 339.892 3.097 20 30 EGEDLO C=CCOc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C/C=C\Cl)cc1 ZINC001029364807 1340978118 /nfs/dbraw/zinc/97/81/18/1340978118.db2.gz LJDFQSLHIVCXBP-RGCPHFJHSA-N 1 2 346.858 3.293 20 30 EGEDLO C=CCOc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C/C=C\Cl)cc1 ZINC001029364807 1340978119 /nfs/dbraw/zinc/97/81/19/1340978119.db2.gz LJDFQSLHIVCXBP-RGCPHFJHSA-N 1 2 346.858 3.293 20 30 EGEDLO O=C([C@@H]1CC[C@H]2C[C@H]2C1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029370277 1340979295 /nfs/dbraw/zinc/97/92/95/1340979295.db2.gz XXAVRXAJTIEVAQ-LILSUDLASA-N 1 2 348.490 3.150 20 30 EGEDLO O=C([C@@H]1CC[C@H]2C[C@H]2C1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029370277 1340979297 /nfs/dbraw/zinc/97/92/97/1340979297.db2.gz XXAVRXAJTIEVAQ-LILSUDLASA-N 1 2 348.490 3.150 20 30 EGEDLO C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)C[C@H]2C[C@H]2C1 ZINC001029408309 1340984544 /nfs/dbraw/zinc/98/45/44/1340984544.db2.gz RNAOFMUFIAXJDX-SWFGTHORSA-N 1 2 348.490 3.150 20 30 EGEDLO C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)C[C@H]2C[C@H]2C1 ZINC001029408309 1340984546 /nfs/dbraw/zinc/98/45/46/1340984546.db2.gz RNAOFMUFIAXJDX-SWFGTHORSA-N 1 2 348.490 3.150 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn(C(C)C)nc1C ZINC001029421636 1340986344 /nfs/dbraw/zinc/98/63/44/1340986344.db2.gz HACPCIHWKRHOGQ-HDICACEKSA-N 1 2 344.503 3.160 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn(C(C)C)nc1C ZINC001029421636 1340986345 /nfs/dbraw/zinc/98/63/45/1340986345.db2.gz HACPCIHWKRHOGQ-HDICACEKSA-N 1 2 344.503 3.160 20 30 EGEDLO C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2C#N)C=CCC1 ZINC001029428018 1340988176 /nfs/dbraw/zinc/98/81/76/1340988176.db2.gz ASBIXQHCGPFVSL-SVFBPWRDSA-N 1 2 335.451 3.090 20 30 EGEDLO C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2C#N)C=CCC1 ZINC001029428018 1340988177 /nfs/dbraw/zinc/98/81/77/1340988177.db2.gz ASBIXQHCGPFVSL-SVFBPWRDSA-N 1 2 335.451 3.090 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)ns1 ZINC001029456672 1340994437 /nfs/dbraw/zinc/99/44/37/1340994437.db2.gz LYNANMPITVFHCE-RVKKMQEKSA-N 1 2 333.501 3.229 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)ns1 ZINC001029456672 1340994439 /nfs/dbraw/zinc/99/44/39/1340994439.db2.gz LYNANMPITVFHCE-RVKKMQEKSA-N 1 2 333.501 3.229 20 30 EGEDLO CC(C)c1ccc([C@H](C)[NH+]2CC(NC(=O)c3c[nH]c(C#N)c3)C2)cc1 ZINC001030235273 1341173429 /nfs/dbraw/zinc/17/34/29/1341173429.db2.gz SNJHVJWNBYIMIS-AWEZNQCLSA-N 1 2 336.439 3.185 20 30 EGEDLO C#Cc1ccccc1CC(=O)NC1C[NH+](Cc2ccc(C3CC3)cc2)C1 ZINC001031314051 1341318563 /nfs/dbraw/zinc/31/85/63/1341318563.db2.gz HRMLPAVCBBUJGT-UHFFFAOYSA-N 1 2 344.458 3.088 20 30 EGEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)c1cccs1 ZINC001031526289 1341362933 /nfs/dbraw/zinc/36/29/33/1341362933.db2.gz PZBKSNBHTCXCRH-UHFFFAOYSA-N 1 2 344.867 3.115 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC001031801613 1341403814 /nfs/dbraw/zinc/40/38/14/1341403814.db2.gz CWSWTOFWKFLNRW-STQMWFEESA-N 1 2 338.801 3.156 20 30 EGEDLO CC(C)c1ccoc1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031920755 1341422457 /nfs/dbraw/zinc/42/24/57/1341422457.db2.gz RHFSRDFITVTDTI-UHFFFAOYSA-N 1 2 343.452 3.198 20 30 EGEDLO C[C@H]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031937615 1341426310 /nfs/dbraw/zinc/42/63/10/1341426310.db2.gz ZUHSURFFXHXIIQ-KBXCAEBGSA-N 1 2 343.446 3.072 20 30 EGEDLO C[C@H]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031942022 1341428159 /nfs/dbraw/zinc/42/81/59/1341428159.db2.gz VBFHCXGTRYFBOF-KBXCAEBGSA-N 1 2 343.446 3.072 20 30 EGEDLO CC[C@H]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031953034 1341430569 /nfs/dbraw/zinc/43/05/69/1341430569.db2.gz DOXYMPBDOYOWBJ-FUHWJXTLSA-N 1 2 343.446 3.072 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C1 ZINC001032039640 1341443876 /nfs/dbraw/zinc/44/38/76/1341443876.db2.gz XANFFMOUKGZAOF-JKSUJKDBSA-N 1 2 339.266 3.244 20 30 EGEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c(Cl)oc2ccccc21 ZINC001032318281 1341494330 /nfs/dbraw/zinc/49/43/30/1341494330.db2.gz LGKRFEWJEARVJH-AVGNSLFASA-N 1 2 343.814 3.031 20 30 EGEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1c(Cl)oc2ccccc21 ZINC001032318281 1341494331 /nfs/dbraw/zinc/49/43/31/1341494331.db2.gz LGKRFEWJEARVJH-AVGNSLFASA-N 1 2 343.814 3.031 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC=CCCC2)c1 ZINC001032471938 1341516588 /nfs/dbraw/zinc/51/65/88/1341516588.db2.gz FDHKWKDQRCXYQQ-ACRUOGEOSA-N 1 2 349.478 3.480 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC=CCCC2)c1 ZINC001032471938 1341516590 /nfs/dbraw/zinc/51/65/90/1341516590.db2.gz FDHKWKDQRCXYQQ-ACRUOGEOSA-N 1 2 349.478 3.480 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1c(F)cccc1F ZINC001032562577 1341540926 /nfs/dbraw/zinc/54/09/26/1341540926.db2.gz XLTOCVZNMOPKLP-KBPBESRZSA-N 1 2 334.410 3.005 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1c(F)cccc1F ZINC001032562577 1341540927 /nfs/dbraw/zinc/54/09/27/1341540927.db2.gz XLTOCVZNMOPKLP-KBPBESRZSA-N 1 2 334.410 3.005 20 30 EGEDLO O=C(C[C@H]1CC=CCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032566130 1341541980 /nfs/dbraw/zinc/54/19/80/1341541980.db2.gz GIDJABLCXUHTGG-ACRUOGEOSA-N 1 2 334.463 3.070 20 30 EGEDLO O=C(C[C@H]1CC=CCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032566130 1341541981 /nfs/dbraw/zinc/54/19/81/1341541981.db2.gz GIDJABLCXUHTGG-ACRUOGEOSA-N 1 2 334.463 3.070 20 30 EGEDLO CC1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)CCCCC1 ZINC001032603707 1341555396 /nfs/dbraw/zinc/55/53/96/1341555396.db2.gz IIDWWDVDVGBPHI-OALUTQOASA-N 1 2 337.467 3.314 20 30 EGEDLO CC1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)CCCCC1 ZINC001032603707 1341555399 /nfs/dbraw/zinc/55/53/99/1341555399.db2.gz IIDWWDVDVGBPHI-OALUTQOASA-N 1 2 337.467 3.314 20 30 EGEDLO CN(C(=O)c1ccco1)[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001032872218 1341643603 /nfs/dbraw/zinc/64/36/03/1341643603.db2.gz KWPJMCVCULKRGX-KRWDZBQOSA-N 1 2 342.826 3.131 20 30 EGEDLO CN(C(=O)c1ccco1)[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001032872218 1341643605 /nfs/dbraw/zinc/64/36/05/1341643605.db2.gz KWPJMCVCULKRGX-KRWDZBQOSA-N 1 2 342.826 3.131 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-c3ccncc3)o2)C1 ZINC001033144256 1341738797 /nfs/dbraw/zinc/73/87/97/1341738797.db2.gz ULXLNNBCSZFMPI-OAHLLOKOSA-N 1 2 345.830 3.240 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-c3ccncc3)o2)C1 ZINC001033144256 1341738799 /nfs/dbraw/zinc/73/87/99/1341738799.db2.gz ULXLNNBCSZFMPI-OAHLLOKOSA-N 1 2 345.830 3.240 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC23CC3)C1 ZINC001033194857 1341749552 /nfs/dbraw/zinc/74/95/52/1341749552.db2.gz DINSTAWTHOLMIC-KBPBESRZSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC23CC3)C1 ZINC001033194857 1341749553 /nfs/dbraw/zinc/74/95/53/1341749553.db2.gz DINSTAWTHOLMIC-KBPBESRZSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2(C)CCC(F)(F)CC2)C1 ZINC001033207321 1341753081 /nfs/dbraw/zinc/75/30/81/1341753081.db2.gz KPYKKJWZQXHEJR-CYBMUJFWSA-N 1 2 334.838 3.487 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(C)CCC(F)(F)CC2)C1 ZINC001033207321 1341753083 /nfs/dbraw/zinc/75/30/83/1341753083.db2.gz KPYKKJWZQXHEJR-CYBMUJFWSA-N 1 2 334.838 3.487 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2coc3ccc(OC)cc23)C1 ZINC001033254073 1341759198 /nfs/dbraw/zinc/75/91/98/1341759198.db2.gz ZKCAXJHEFFZAPE-ZDUSSCGKSA-N 1 2 348.830 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2coc3ccc(OC)cc23)C1 ZINC001033254073 1341759200 /nfs/dbraw/zinc/75/92/00/1341759200.db2.gz ZKCAXJHEFFZAPE-ZDUSSCGKSA-N 1 2 348.830 3.340 20 30 EGEDLO CN(C(=O)c1occc1Cl)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033390336 1341809233 /nfs/dbraw/zinc/80/92/33/1341809233.db2.gz CQLLJLGFHXQZOV-INIZCTEOSA-N 1 2 342.826 3.131 20 30 EGEDLO CN(C(=O)c1occc1Cl)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033390336 1341809235 /nfs/dbraw/zinc/80/92/35/1341809235.db2.gz CQLLJLGFHXQZOV-INIZCTEOSA-N 1 2 342.826 3.131 20 30 EGEDLO CN(C(=O)[C@H]1CC12CC2)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033450961 1341829764 /nfs/dbraw/zinc/82/97/64/1341829764.db2.gz WLLMDIVLAZISAM-DLBZAZTESA-N 1 2 342.870 3.024 20 30 EGEDLO CN(C(=O)[C@H]1CC12CC2)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033450961 1341829766 /nfs/dbraw/zinc/82/97/66/1341829766.db2.gz WLLMDIVLAZISAM-DLBZAZTESA-N 1 2 342.870 3.024 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001033503546 1341849653 /nfs/dbraw/zinc/84/96/53/1341849653.db2.gz VYDACHOMCASIOG-OKZBNKHCSA-N 1 2 332.875 3.384 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001033503546 1341849656 /nfs/dbraw/zinc/84/96/56/1341849656.db2.gz VYDACHOMCASIOG-OKZBNKHCSA-N 1 2 332.875 3.384 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2csc(C(C)(C)C)n2)C1 ZINC001033503389 1341850089 /nfs/dbraw/zinc/85/00/89/1341850089.db2.gz JGSMOABQXZSKDR-GFCCVEGCSA-N 1 2 341.908 3.339 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2csc(C(C)(C)C)n2)C1 ZINC001033503389 1341850092 /nfs/dbraw/zinc/85/00/92/1341850092.db2.gz JGSMOABQXZSKDR-GFCCVEGCSA-N 1 2 341.908 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@]2(C)CCOc3ccccc32)C1 ZINC001033593291 1341888517 /nfs/dbraw/zinc/88/85/17/1341888517.db2.gz KMCCMHGWEIJQLT-BEFAXECRSA-N 1 2 348.874 3.012 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(C)CCOc3ccccc32)C1 ZINC001033593291 1341888518 /nfs/dbraw/zinc/88/85/18/1341888518.db2.gz KMCCMHGWEIJQLT-BEFAXECRSA-N 1 2 348.874 3.012 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2ccc(F)cc2F)C1 ZINC001033679749 1341946814 /nfs/dbraw/zinc/94/68/14/1341946814.db2.gz LMAMGBUZWOKFMT-OCCSQVGLSA-N 1 2 342.817 3.354 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2ccc(F)cc2F)C1 ZINC001033679749 1341946817 /nfs/dbraw/zinc/94/68/17/1341946817.db2.gz LMAMGBUZWOKFMT-OCCSQVGLSA-N 1 2 342.817 3.354 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2OCC2CC2)C1 ZINC001033683945 1341950216 /nfs/dbraw/zinc/95/02/16/1341950216.db2.gz JVTPXZKHPNKOIB-MRXNPFEDSA-N 1 2 348.874 3.374 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2OCC2CC2)C1 ZINC001033683945 1341950219 /nfs/dbraw/zinc/95/02/19/1341950219.db2.gz JVTPXZKHPNKOIB-MRXNPFEDSA-N 1 2 348.874 3.374 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2nc(Cl)sc2C)C1 ZINC001033896260 1342068431 /nfs/dbraw/zinc/06/84/31/1342068431.db2.gz YYPUSNYSXSLQMV-LLVKDONJSA-N 1 2 348.299 3.394 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2nc(Cl)sc2C)C1 ZINC001033896260 1342068438 /nfs/dbraw/zinc/06/84/38/1342068438.db2.gz YYPUSNYSXSLQMV-LLVKDONJSA-N 1 2 348.299 3.394 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001033900743 1342073147 /nfs/dbraw/zinc/07/31/47/1342073147.db2.gz NKBUAFSUWTUSQC-OAHLLOKOSA-N 1 2 346.862 3.160 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001033900743 1342073151 /nfs/dbraw/zinc/07/31/51/1342073151.db2.gz NKBUAFSUWTUSQC-OAHLLOKOSA-N 1 2 346.862 3.160 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc3ccccn3c2)C1 ZINC001033977029 1342125913 /nfs/dbraw/zinc/12/59/13/1342125913.db2.gz OQMSDJKEWWAHQJ-QGZVFWFLSA-N 1 2 331.847 3.228 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc3ccccn3c2)C1 ZINC001033977029 1342125915 /nfs/dbraw/zinc/12/59/15/1342125915.db2.gz OQMSDJKEWWAHQJ-QGZVFWFLSA-N 1 2 331.847 3.228 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2nc(C3CC3)oc2C)C1 ZINC001034003540 1342141826 /nfs/dbraw/zinc/14/18/26/1342141826.db2.gz DRDAMHAVVZWNCM-CQSZACIVSA-N 1 2 337.851 3.149 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2nc(C3CC3)oc2C)C1 ZINC001034003540 1342141829 /nfs/dbraw/zinc/14/18/29/1342141829.db2.gz DRDAMHAVVZWNCM-CQSZACIVSA-N 1 2 337.851 3.149 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC001034004595 1342142515 /nfs/dbraw/zinc/14/25/15/1342142515.db2.gz QSZLCRCXYRHONY-OAHLLOKOSA-N 1 2 346.862 3.160 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC001034004595 1342142516 /nfs/dbraw/zinc/14/25/16/1342142516.db2.gz QSZLCRCXYRHONY-OAHLLOKOSA-N 1 2 346.862 3.160 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(Cl)cn2CC)C1 ZINC001034041952 1342182633 /nfs/dbraw/zinc/18/26/33/1342182633.db2.gz LOWGAMGQUWGSCV-CQSZACIVSA-N 1 2 344.286 3.450 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)c2ccsc2)C1 ZINC001034089648 1342227788 /nfs/dbraw/zinc/22/77/88/1342227788.db2.gz FBNQASMHCCWVJO-ZDUSSCGKSA-N 1 2 343.290 3.241 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)c2ccsc2)C1 ZINC001034089648 1342227786 /nfs/dbraw/zinc/22/77/86/1342227786.db2.gz FBNQASMHCCWVJO-ZDUSSCGKSA-N 1 2 343.290 3.241 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2nc(C(C)C)oc2C)C1 ZINC001034211388 1342320899 /nfs/dbraw/zinc/32/08/99/1342320899.db2.gz QANQLLFGCUZCQT-CQSZACIVSA-N 1 2 339.867 3.443 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2nc(C(C)C)oc2C)C1 ZINC001034211388 1342320900 /nfs/dbraw/zinc/32/09/00/1342320900.db2.gz QANQLLFGCUZCQT-CQSZACIVSA-N 1 2 339.867 3.443 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(F)c(F)c2F)C1 ZINC001034371120 1342440466 /nfs/dbraw/zinc/44/04/66/1342440466.db2.gz FDPRTJHVQMTFTL-LLVKDONJSA-N 1 2 346.780 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(F)c(F)c2F)C1 ZINC001034371120 1342440469 /nfs/dbraw/zinc/44/04/69/1342440469.db2.gz FDPRTJHVQMTFTL-LLVKDONJSA-N 1 2 346.780 3.441 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@@H+]([C@H](C)c3ncccn3)C2)CC1 ZINC001034383670 1342452818 /nfs/dbraw/zinc/45/28/18/1342452818.db2.gz ZDNGWTLMYLWTCT-SJLPKXTDSA-N 1 2 342.487 3.255 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@H+]([C@H](C)c3ncccn3)C2)CC1 ZINC001034383670 1342452820 /nfs/dbraw/zinc/45/28/20/1342452820.db2.gz ZDNGWTLMYLWTCT-SJLPKXTDSA-N 1 2 342.487 3.255 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC001034436765 1342499353 /nfs/dbraw/zinc/49/93/53/1342499353.db2.gz CDGFXPNOACYKCE-CYBMUJFWSA-N 1 2 325.840 3.135 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC001034436765 1342499355 /nfs/dbraw/zinc/49/93/55/1342499355.db2.gz CDGFXPNOACYKCE-CYBMUJFWSA-N 1 2 325.840 3.135 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(Cl)cn2)C1 ZINC001034494141 1342549983 /nfs/dbraw/zinc/54/99/83/1342549983.db2.gz ASVFVKLHRQFIKF-CYBMUJFWSA-N 1 2 328.243 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(Cl)cn2)C1 ZINC001034494141 1342549986 /nfs/dbraw/zinc/54/99/86/1342549986.db2.gz ASVFVKLHRQFIKF-CYBMUJFWSA-N 1 2 328.243 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2c(C)nsc2C)C1 ZINC001034544356 1342605854 /nfs/dbraw/zinc/60/58/54/1342605854.db2.gz NQTMUEKEKOIRKD-ZDUSSCGKSA-N 1 2 327.881 3.097 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2c(C)nsc2C)C1 ZINC001034544356 1342605855 /nfs/dbraw/zinc/60/58/55/1342605855.db2.gz NQTMUEKEKOIRKD-ZDUSSCGKSA-N 1 2 327.881 3.097 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1c(C)oc(C)c1C)CC2 ZINC001035746069 1343165959 /nfs/dbraw/zinc/16/59/59/1343165959.db2.gz SERJPXCQCMYWHB-UHFFFAOYSA-N 1 2 336.863 3.495 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC2(C[NH+](Cc3nocc3C)C2)CC1 ZINC001035767993 1343179670 /nfs/dbraw/zinc/17/96/70/1343179670.db2.gz ZCGVHMNWTHNSGX-UHFFFAOYSA-N 1 2 331.460 3.010 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C1CCC(F)CC1)CC2 ZINC001035785499 1343196520 /nfs/dbraw/zinc/19/65/20/1343196520.db2.gz UDNRIPINZGCWPC-UHFFFAOYSA-N 1 2 328.859 3.192 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC3(C[NH+](Cc4ncc(C)s4)C3)CC2)C1 ZINC001035788752 1343200323 /nfs/dbraw/zinc/20/03/23/1343200323.db2.gz ISQKMFYCFDFNDN-UHFFFAOYSA-N 1 2 345.512 3.232 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cccc3[nH]ccc31)CC2 ZINC001035802904 1343205467 /nfs/dbraw/zinc/20/54/67/1343205467.db2.gz DPYQPGMMJXAWRT-UHFFFAOYSA-N 1 2 343.858 3.458 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)C2CCCCCC2)s1 ZINC001038105656 1344280830 /nfs/dbraw/zinc/28/08/30/1344280830.db2.gz SZSJRHHTBFZQFK-OAHLLOKOSA-N 1 2 331.485 3.281 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)C2CCCCCC2)s1 ZINC001038105656 1344280835 /nfs/dbraw/zinc/28/08/35/1344280835.db2.gz SZSJRHHTBFZQFK-OAHLLOKOSA-N 1 2 331.485 3.281 20 30 EGEDLO CC1(C)C(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)c(F)c2)C1(C)C ZINC001038141387 1344294724 /nfs/dbraw/zinc/29/47/24/1344294724.db2.gz PMZGAABVRGWBMJ-HNNXBMFYSA-N 1 2 343.446 3.070 20 30 EGEDLO CC1(C)C(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)c(F)c2)C1(C)C ZINC001038141387 1344294728 /nfs/dbraw/zinc/29/47/28/1344294728.db2.gz PMZGAABVRGWBMJ-HNNXBMFYSA-N 1 2 343.446 3.070 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2sccc2Cl)c1 ZINC001038290562 1344362627 /nfs/dbraw/zinc/36/26/27/1344362627.db2.gz UPKITBABSCCSDI-CQSZACIVSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2sccc2Cl)c1 ZINC001038290562 1344362628 /nfs/dbraw/zinc/36/26/28/1344362628.db2.gz UPKITBABSCCSDI-CQSZACIVSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2CCC=CCCC2)s1 ZINC001038404153 1344413829 /nfs/dbraw/zinc/41/38/29/1344413829.db2.gz YFXFKOQOUZFLSX-CVEARBPZSA-N 1 2 343.496 3.447 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2CCC=CCCC2)s1 ZINC001038404153 1344413831 /nfs/dbraw/zinc/41/38/31/1344413831.db2.gz YFXFKOQOUZFLSX-CVEARBPZSA-N 1 2 343.496 3.447 20 30 EGEDLO CCc1oc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)cc1C ZINC001038909949 1344647843 /nfs/dbraw/zinc/64/78/43/1344647843.db2.gz JWRNVJZHCJIEJR-QGZVFWFLSA-N 1 2 337.423 3.026 20 30 EGEDLO CCc1oc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)cc1C ZINC001038909949 1344647846 /nfs/dbraw/zinc/64/78/46/1344647846.db2.gz JWRNVJZHCJIEJR-QGZVFWFLSA-N 1 2 337.423 3.026 20 30 EGEDLO CCc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)cc1 ZINC001038973343 1344690193 /nfs/dbraw/zinc/69/01/93/1344690193.db2.gz QBBLEZNSZBVHHQ-MRXNPFEDSA-N 1 2 339.464 3.186 20 30 EGEDLO CCc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)cc1 ZINC001038973343 1344690197 /nfs/dbraw/zinc/69/01/97/1344690197.db2.gz QBBLEZNSZBVHHQ-MRXNPFEDSA-N 1 2 339.464 3.186 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1(C)C ZINC001039358167 1345027177 /nfs/dbraw/zinc/02/71/77/1345027177.db2.gz IKZBFORWUBALQC-RDBSUJKOSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1(C)C ZINC001039358167 1345027182 /nfs/dbraw/zinc/02/71/82/1345027182.db2.gz IKZBFORWUBALQC-RDBSUJKOSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CC(F)(F)C1 ZINC001039458369 1345077747 /nfs/dbraw/zinc/07/77/47/1345077747.db2.gz RVPFSZQYHJLDHY-OLZOCXBDSA-N 1 2 332.822 3.240 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CC(F)(F)C1 ZINC001039458369 1345077750 /nfs/dbraw/zinc/07/77/50/1345077750.db2.gz RVPFSZQYHJLDHY-OLZOCXBDSA-N 1 2 332.822 3.240 20 30 EGEDLO O=C(CCC1CC1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001039533198 1345133156 /nfs/dbraw/zinc/13/31/56/1345133156.db2.gz XUMJTVQNPVUPBM-OYRHEFFESA-N 1 2 336.479 3.294 20 30 EGEDLO O=C(CCC1CC1)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001039533198 1345133159 /nfs/dbraw/zinc/13/31/59/1345133159.db2.gz XUMJTVQNPVUPBM-OYRHEFFESA-N 1 2 336.479 3.294 20 30 EGEDLO C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1)C1CC1 ZINC001039540237 1345135383 /nfs/dbraw/zinc/13/53/83/1345135383.db2.gz UYYDNFGZARYTSC-RYGJVYDSSA-N 1 2 337.467 3.170 20 30 EGEDLO C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1)C1CC1 ZINC001039540237 1345135388 /nfs/dbraw/zinc/13/53/88/1345135388.db2.gz UYYDNFGZARYTSC-RYGJVYDSSA-N 1 2 337.467 3.170 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@@H](C)[C@H](CNc3cc[nH+]c(C)n3)C2)CC1 ZINC001039890823 1345233446 /nfs/dbraw/zinc/23/34/46/1345233446.db2.gz OVLCLNIHVJWLBZ-CRAIPNDOSA-N 1 2 342.487 3.428 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@@H](C)[C@@H](CNc3cc[nH+]c(C)n3)C2)C1 ZINC001039894431 1345237299 /nfs/dbraw/zinc/23/72/99/1345237299.db2.gz YNHPPJUHIKDXSR-ZBFHGGJFSA-N 1 2 328.460 3.038 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1oc(C)nc1C ZINC001039896303 1345238873 /nfs/dbraw/zinc/23/88/73/1345238873.db2.gz ISNKANLZALNAEK-FUHIMQAGSA-N 1 2 345.487 3.459 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1oc(C)nc1C ZINC001039896303 1345238875 /nfs/dbraw/zinc/23/88/75/1345238875.db2.gz ISNKANLZALNAEK-FUHIMQAGSA-N 1 2 345.487 3.459 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3ncsc3c2)C1 ZINC001080890308 1357759705 /nfs/dbraw/zinc/75/97/05/1357759705.db2.gz GAMDNVARAICZLV-QMTHXVAHSA-N 1 2 335.860 3.099 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3ncsc3c2)C1 ZINC001080890308 1357759710 /nfs/dbraw/zinc/75/97/10/1357759710.db2.gz GAMDNVARAICZLV-QMTHXVAHSA-N 1 2 335.860 3.099 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3scnc3Cl)C[C@@H]21 ZINC001042360232 1346054636 /nfs/dbraw/zinc/05/46/36/1346054636.db2.gz PRFSBCGTCCWUKT-QWRGUYRKSA-N 1 2 346.283 3.085 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3scnc3Cl)C[C@@H]21 ZINC001042360232 1346054637 /nfs/dbraw/zinc/05/46/37/1346054637.db2.gz PRFSBCGTCCWUKT-QWRGUYRKSA-N 1 2 346.283 3.085 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+]([C@H](C)c3cccc(OC)c3)C2)C1 ZINC001043812263 1346212772 /nfs/dbraw/zinc/21/27/72/1346212772.db2.gz XOZVXMOEOVCVQS-OAHLLOKOSA-N 1 2 328.456 3.255 20 30 EGEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)C1=CCCC1 ZINC001079563016 1357306390 /nfs/dbraw/zinc/30/63/90/1357306390.db2.gz OCLOAYIHBBKHQA-DNVCBOLYSA-N 1 2 342.870 3.238 20 30 EGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)C1=CCCC1 ZINC001079563016 1357306392 /nfs/dbraw/zinc/30/63/92/1357306392.db2.gz OCLOAYIHBBKHQA-DNVCBOLYSA-N 1 2 342.870 3.238 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(=C)Br ZINC001045827931 1346710529 /nfs/dbraw/zinc/71/05/29/1346710529.db2.gz XLEIIOYMOPPUHF-KGLIPLIRSA-N 1 2 341.293 3.173 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(=C)Br ZINC001045827931 1346710530 /nfs/dbraw/zinc/71/05/30/1346710530.db2.gz XLEIIOYMOPPUHF-KGLIPLIRSA-N 1 2 341.293 3.173 20 30 EGEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)[C@H]1CC1(C)C ZINC001079587412 1357317211 /nfs/dbraw/zinc/31/72/11/1357317211.db2.gz ZYKFRCJAWWYCTJ-QGPMSJSTSA-N 1 2 344.886 3.174 20 30 EGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)[C@H]1CC1(C)C ZINC001079587412 1357317214 /nfs/dbraw/zinc/31/72/14/1357317214.db2.gz ZYKFRCJAWWYCTJ-QGPMSJSTSA-N 1 2 344.886 3.174 20 30 EGEDLO C[C@]1(NC(=O)c2ccc(Cl)o2)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046145355 1346869555 /nfs/dbraw/zinc/86/95/55/1346869555.db2.gz YIGFNOCRAMDWSI-SFHVURJKSA-N 1 2 343.814 3.199 20 30 EGEDLO C[C@]1(NC(=O)c2ccc(Cl)o2)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046145355 1346869557 /nfs/dbraw/zinc/86/95/57/1346869557.db2.gz YIGFNOCRAMDWSI-SFHVURJKSA-N 1 2 343.814 3.199 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccnc(-c3ccco3)c2)C1 ZINC001046404615 1346962654 /nfs/dbraw/zinc/96/26/54/1346962654.db2.gz DYIFYFUZJVVMAN-SFHVURJKSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccnc(-c3ccco3)c2)C1 ZINC001046404615 1346962656 /nfs/dbraw/zinc/96/26/56/1346962656.db2.gz DYIFYFUZJVVMAN-SFHVURJKSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)C2CC3(CCC3)C2)C1 ZINC001046553185 1347013731 /nfs/dbraw/zinc/01/37/31/1347013731.db2.gz FUSVSIKPEXBRMX-HNNXBMFYSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)C2CC3(CCC3)C2)C1 ZINC001046553185 1347013732 /nfs/dbraw/zinc/01/37/32/1347013732.db2.gz FUSVSIKPEXBRMX-HNNXBMFYSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(F)c(F)cc2F)C1 ZINC001046586324 1347027328 /nfs/dbraw/zinc/02/73/28/1347027328.db2.gz QJOUVUIJVXAMAE-OAHLLOKOSA-N 1 2 332.753 3.051 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(F)c(F)cc2F)C1 ZINC001046586324 1347027330 /nfs/dbraw/zinc/02/73/30/1347027330.db2.gz QJOUVUIJVXAMAE-OAHLLOKOSA-N 1 2 332.753 3.051 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(OCC)c(C)c2)C1 ZINC001046672685 1347057904 /nfs/dbraw/zinc/05/79/04/1347057904.db2.gz XBBXBXNGMSTJEP-GOSISDBHSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(OCC)c(C)c2)C1 ZINC001046672685 1347057906 /nfs/dbraw/zinc/05/79/06/1347057906.db2.gz XBBXBXNGMSTJEP-GOSISDBHSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(OC)cc2Cl)C1 ZINC001046706332 1347068157 /nfs/dbraw/zinc/06/81/57/1347068157.db2.gz IUNIAZQRLNVERV-INIZCTEOSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(OC)cc2Cl)C1 ZINC001046706332 1347068160 /nfs/dbraw/zinc/06/81/60/1347068160.db2.gz IUNIAZQRLNVERV-INIZCTEOSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)C2CC3(CC3)C2)C1 ZINC001046971064 1347171651 /nfs/dbraw/zinc/17/16/51/1347171651.db2.gz RVCPIZOHQPVVQW-CYBMUJFWSA-N 1 2 332.822 3.003 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2CC3(CC3)C2)C1 ZINC001046971064 1347171652 /nfs/dbraw/zinc/17/16/52/1347171652.db2.gz RVCPIZOHQPVVQW-CYBMUJFWSA-N 1 2 332.822 3.003 20 30 EGEDLO CC(C)CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001049290476 1347772986 /nfs/dbraw/zinc/77/29/86/1347772986.db2.gz DNQNKMZLXMNLGC-MOPGFXCFSA-N 1 2 343.446 3.309 20 30 EGEDLO CC(C)CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001049290476 1347772987 /nfs/dbraw/zinc/77/29/87/1347772987.db2.gz DNQNKMZLXMNLGC-MOPGFXCFSA-N 1 2 343.446 3.309 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1 ZINC001049297438 1347778210 /nfs/dbraw/zinc/77/82/10/1347778210.db2.gz KGQGJZVEOBQAFV-JKSUJKDBSA-N 1 2 349.272 3.274 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1 ZINC001049297438 1347778211 /nfs/dbraw/zinc/77/82/11/1347778211.db2.gz KGQGJZVEOBQAFV-JKSUJKDBSA-N 1 2 349.272 3.274 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccoc1Cl ZINC001049431755 1347848050 /nfs/dbraw/zinc/84/80/50/1347848050.db2.gz KAYWYNCLMBNVET-STQMWFEESA-N 1 2 329.227 3.364 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccoc1Cl ZINC001049431755 1347848052 /nfs/dbraw/zinc/84/80/52/1347848052.db2.gz KAYWYNCLMBNVET-STQMWFEESA-N 1 2 329.227 3.364 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cnoc1C(C)C ZINC001049821366 1348038939 /nfs/dbraw/zinc/03/89/39/1348038939.db2.gz WXHNMIKKWNJQDZ-LSDHHAIUSA-N 1 2 337.851 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cnoc1C(C)C ZINC001049821366 1348038942 /nfs/dbraw/zinc/03/89/42/1348038942.db2.gz WXHNMIKKWNJQDZ-LSDHHAIUSA-N 1 2 337.851 3.229 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)C ZINC001049856263 1348063666 /nfs/dbraw/zinc/06/36/66/1348063666.db2.gz DIYVCIAOJLJYHM-QWHCGFSZSA-N 1 2 329.282 3.006 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)C ZINC001049856263 1348063667 /nfs/dbraw/zinc/06/36/67/1348063667.db2.gz DIYVCIAOJLJYHM-QWHCGFSZSA-N 1 2 329.282 3.006 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(CCC)s1 ZINC001050942702 1348375800 /nfs/dbraw/zinc/37/58/00/1348375800.db2.gz GHQHIDFXRDFLPW-HNNXBMFYSA-N 1 2 336.501 3.097 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(CCC)s1 ZINC001050942702 1348375803 /nfs/dbraw/zinc/37/58/03/1348375803.db2.gz GHQHIDFXRDFLPW-HNNXBMFYSA-N 1 2 336.501 3.097 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc2cc(Cl)ccc2o1 ZINC001051012587 1348384052 /nfs/dbraw/zinc/38/40/52/1348384052.db2.gz XDUWBUIBJXLCRM-HNNXBMFYSA-N 1 2 348.830 3.093 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc2cc(Cl)ccc2o1 ZINC001051012587 1348384053 /nfs/dbraw/zinc/38/40/53/1348384053.db2.gz XDUWBUIBJXLCRM-HNNXBMFYSA-N 1 2 348.830 3.093 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1c(Cl)cccc1Cl ZINC001051224708 1348405707 /nfs/dbraw/zinc/40/57/07/1348405707.db2.gz ZLLGNDNMRLYUDP-GFCCVEGCSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1c(Cl)cccc1Cl ZINC001051224708 1348405709 /nfs/dbraw/zinc/40/57/09/1348405709.db2.gz ZLLGNDNMRLYUDP-GFCCVEGCSA-N 1 2 343.254 3.000 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc2c(cccc2C)o1 ZINC001051262059 1348411155 /nfs/dbraw/zinc/41/11/55/1348411155.db2.gz XMNJNFZORYDGFI-MRXNPFEDSA-N 1 2 342.439 3.138 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cc2c(cccc2C)o1 ZINC001051262059 1348411156 /nfs/dbraw/zinc/41/11/56/1348411156.db2.gz XMNJNFZORYDGFI-MRXNPFEDSA-N 1 2 342.439 3.138 20 30 EGEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)CCC3CCCCC3)C2)CC1 ZINC001052113571 1348503618 /nfs/dbraw/zinc/50/36/18/1348503618.db2.gz ZMWDWRVRINCBNP-HXUWFJFHSA-N 1 2 347.547 3.142 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2oc(C(F)F)cc2C)C1 ZINC001079893547 1357416291 /nfs/dbraw/zinc/41/62/91/1357416291.db2.gz SUQMEZLEGXYTBX-MWLCHTKSSA-N 1 2 332.778 3.328 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2oc(C(F)F)cc2C)C1 ZINC001079893547 1357416292 /nfs/dbraw/zinc/41/62/92/1357416292.db2.gz SUQMEZLEGXYTBX-MWLCHTKSSA-N 1 2 332.778 3.328 20 30 EGEDLO C=C1CCC(C(=O)N2CCOC3(C[NH+](CC4=CCCCC4)C3)C2)CC1 ZINC001053404884 1349022230 /nfs/dbraw/zinc/02/22/30/1349022230.db2.gz BWVAZMPRIPCDDP-UHFFFAOYSA-N 1 2 344.499 3.146 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(CCC)s1)O2 ZINC001053605841 1349074352 /nfs/dbraw/zinc/07/43/52/1349074352.db2.gz MWAPZRXFZWDIMM-OAHLLOKOSA-N 1 2 348.512 3.240 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccccc1C(C)C)O2 ZINC001053608525 1349075833 /nfs/dbraw/zinc/07/58/33/1349075833.db2.gz DHEYUMSHBUTYJL-KRWDZBQOSA-N 1 2 342.483 3.349 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc3sccc3s1)O2 ZINC001053618121 1349079229 /nfs/dbraw/zinc/07/92/29/1349079229.db2.gz PLZRIBCRQHZRCO-LBPRGKRZSA-N 1 2 348.493 3.112 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(C(C)C)cc1)O2 ZINC001053689727 1349092436 /nfs/dbraw/zinc/09/24/36/1349092436.db2.gz ANPIKVCLYZCGGB-LJQANCHMSA-N 1 2 342.483 3.349 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC[C@H](CC)CC1)O2 ZINC001053692127 1349093790 /nfs/dbraw/zinc/09/37/90/1349093790.db2.gz KBGIMGLIPNJJJF-BZSNNMDCSA-N 1 2 334.504 3.129 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C)c(C)cc1Cl)CO2 ZINC001053891907 1349121403 /nfs/dbraw/zinc/12/14/03/1349121403.db2.gz ZNXZIQMMDQQGEY-OAHLLOKOSA-N 1 2 348.874 3.106 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccccc1C1CCC1)CO2 ZINC001053995614 1349129930 /nfs/dbraw/zinc/12/99/30/1349129930.db2.gz BHYCEBBSQUXHIG-QGZVFWFLSA-N 1 2 340.467 3.103 20 30 EGEDLO C[C@@H]1C[C@@H]1C(=O)NCc1ccc2c(c1)C[N@@H+](CC#Cc1ccccc1)C2 ZINC001054253890 1349248736 /nfs/dbraw/zinc/24/87/36/1349248736.db2.gz KCOHYGAXIGGFLV-VGSWGCGISA-N 1 2 344.458 3.326 20 30 EGEDLO C[C@@H]1C[C@@H]1C(=O)NCc1ccc2c(c1)C[N@H+](CC#Cc1ccccc1)C2 ZINC001054253890 1349248741 /nfs/dbraw/zinc/24/87/41/1349248741.db2.gz KCOHYGAXIGGFLV-VGSWGCGISA-N 1 2 344.458 3.326 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3nsc4ccccc43)cc2C1 ZINC001054266478 1349263941 /nfs/dbraw/zinc/26/39/41/1349263941.db2.gz XRHVIYVHFHSMOD-UHFFFAOYSA-N 1 2 347.443 3.175 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3nsc4ccccc43)cc2C1 ZINC001054266478 1349263942 /nfs/dbraw/zinc/26/39/42/1349263942.db2.gz XRHVIYVHFHSMOD-UHFFFAOYSA-N 1 2 347.443 3.175 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3oc(C(F)F)cc3C)cc2C1 ZINC001054268970 1349268292 /nfs/dbraw/zinc/26/82/92/1349268292.db2.gz FAKHZSFCSIKXND-UHFFFAOYSA-N 1 2 344.361 3.404 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3oc(C(F)F)cc3C)cc2C1 ZINC001054268970 1349268293 /nfs/dbraw/zinc/26/82/93/1349268293.db2.gz FAKHZSFCSIKXND-UHFFFAOYSA-N 1 2 344.361 3.404 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCCc4ccccc43)cc2C1 ZINC001054270534 1349269894 /nfs/dbraw/zinc/26/98/94/1349269894.db2.gz QYKKUQTUVOZFBK-QFIPXVFZSA-N 1 2 344.458 3.372 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCCc4ccccc43)cc2C1 ZINC001054270534 1349269896 /nfs/dbraw/zinc/26/98/96/1349269896.db2.gz QYKKUQTUVOZFBK-QFIPXVFZSA-N 1 2 344.458 3.372 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc4ncccc4s3)cc2C1 ZINC001054275901 1349275561 /nfs/dbraw/zinc/27/55/61/1349275561.db2.gz GUJHDEVINHYLQZ-UHFFFAOYSA-N 1 2 347.443 3.175 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc4ncccc4s3)cc2C1 ZINC001054275901 1349275565 /nfs/dbraw/zinc/27/55/65/1349275565.db2.gz GUJHDEVINHYLQZ-UHFFFAOYSA-N 1 2 347.443 3.175 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc4cc(C)ccc4[nH]3)cc2C1 ZINC001054276786 1349276961 /nfs/dbraw/zinc/27/69/61/1349276961.db2.gz VPKTUMDBFIYCSH-UHFFFAOYSA-N 1 2 343.430 3.355 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc4cc(C)ccc4[nH]3)cc2C1 ZINC001054276786 1349276963 /nfs/dbraw/zinc/27/69/63/1349276963.db2.gz VPKTUMDBFIYCSH-UHFFFAOYSA-N 1 2 343.430 3.355 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3c(C)cc(C)cc3C)cc2C1 ZINC001054291330 1349297534 /nfs/dbraw/zinc/29/75/34/1349297534.db2.gz IGINICIGFFECNI-UHFFFAOYSA-N 1 2 332.447 3.491 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3c(C)cc(C)cc3C)cc2C1 ZINC001054291330 1349297535 /nfs/dbraw/zinc/29/75/35/1349297535.db2.gz IGINICIGFFECNI-UHFFFAOYSA-N 1 2 332.447 3.491 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001080134014 1357496615 /nfs/dbraw/zinc/49/66/15/1357496615.db2.gz YTQZCTVMYJIOAT-IAQYHMDHSA-N 1 2 327.255 3.451 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001080134014 1357496619 /nfs/dbraw/zinc/49/66/19/1357496619.db2.gz YTQZCTVMYJIOAT-IAQYHMDHSA-N 1 2 327.255 3.451 20 30 EGEDLO C#Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H](C)Nc2cc[nH+]c(C)n2)cc1 ZINC001058021740 1350191039 /nfs/dbraw/zinc/19/10/39/1350191039.db2.gz OYFPSJIDBRIXLX-HNAYVOBHSA-N 1 2 348.450 3.262 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCN(c3cc(C)[nH+]c(C4CC4)n3)C2)C1 ZINC001058235804 1350230690 /nfs/dbraw/zinc/23/06/90/1350230690.db2.gz FDZHNYLFFLJMBW-MRXNPFEDSA-N 1 2 340.471 3.104 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCN(c3cc(C)[nH+]c(C(C)C)n3)C2)CC1 ZINC001058533465 1350262759 /nfs/dbraw/zinc/26/27/59/1350262759.db2.gz GIJMWHCCJDFJJJ-QGZVFWFLSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001058975556 1350325958 /nfs/dbraw/zinc/32/59/58/1350325958.db2.gz JENJNFFNNABLJM-AWEZNQCLSA-N 1 2 348.878 3.454 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCC[C@H](Nc3cc[nH+]c(C)n3)C2)CC1 ZINC001061129711 1351295522 /nfs/dbraw/zinc/29/55/22/1351295522.db2.gz DGUSQYZEFOHYSG-DLBZAZTESA-N 1 2 328.460 3.371 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001061244221 1351326697 /nfs/dbraw/zinc/32/66/97/1351326697.db2.gz JOLJBMDILGPLBL-QGZVFWFLSA-N 1 2 344.503 3.431 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H](CN(C)c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001062158336 1351468202 /nfs/dbraw/zinc/46/82/02/1351468202.db2.gz DBOFIKQBFIABMI-MRXNPFEDSA-N 1 2 344.503 3.405 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c(F)ccc(C)c2F)C1 ZINC001080385747 1357597161 /nfs/dbraw/zinc/59/71/61/1357597161.db2.gz JFRRVUXQLLUNMK-ZWNOBZJWSA-N 1 2 328.790 3.076 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c(F)ccc(C)c2F)C1 ZINC001080385747 1357597164 /nfs/dbraw/zinc/59/71/64/1357597164.db2.gz JFRRVUXQLLUNMK-ZWNOBZJWSA-N 1 2 328.790 3.076 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[C@H]2CNc2cc[nH+]c(C)n2)C1 ZINC001064187066 1352513834 /nfs/dbraw/zinc/51/38/34/1352513834.db2.gz WXPXXPHSXYLDOZ-HOTGVXAUSA-N 1 2 328.460 3.228 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cc(C)[nH+]c(CC)n1 ZINC001064533651 1352617825 /nfs/dbraw/zinc/61/78/25/1352617825.db2.gz VUEREYMISLUHJZ-IYBDPMFKSA-N 1 2 342.487 3.129 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1CNc1nc(C)[nH+]c2c1CCCC2 ZINC001064983805 1352720974 /nfs/dbraw/zinc/72/09/74/1352720974.db2.gz HFVPPLODWWEQLQ-HNNXBMFYSA-N 1 2 342.487 3.279 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001067180778 1353330097 /nfs/dbraw/zinc/33/00/97/1353330097.db2.gz JPAOTCVLYWLLHC-DOMZBBRYSA-N 1 2 328.460 3.133 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)C(C)(C)CCC)C2)C1 ZINC001148188282 1379130076 /nfs/dbraw/zinc/13/00/76/1379130076.db2.gz KAWVZDJBNPVAFJ-UHFFFAOYSA-N 1 2 343.309 3.256 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)C(C)(C)CCC)C2)C1 ZINC001148188282 1379130079 /nfs/dbraw/zinc/13/00/79/1379130079.db2.gz KAWVZDJBNPVAFJ-UHFFFAOYSA-N 1 2 343.309 3.256 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CN(c3nc(C)[nH+]c(C)c3C)CC[C@H]2C)C1 ZINC001067990700 1353609194 /nfs/dbraw/zinc/60/91/94/1353609194.db2.gz ZFAUEKYRLNAENV-DYVFJYSZSA-N 1 2 342.487 3.089 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CN(c3nc(C)[nH+]c(C)c3C)CC2(C)C)C1 ZINC001068134029 1353653419 /nfs/dbraw/zinc/65/34/19/1353653419.db2.gz CEIZRNHFDHUSEZ-INIZCTEOSA-N 1 2 342.487 3.089 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2coc3ccccc23)C1 ZINC001080672283 1357719808 /nfs/dbraw/zinc/71/98/08/1357719808.db2.gz QEZIMGGYANXELZ-MLGOLLRUSA-N 1 2 332.831 3.164 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2coc3ccccc23)C1 ZINC001080672283 1357719811 /nfs/dbraw/zinc/71/98/11/1357719811.db2.gz QEZIMGGYANXELZ-MLGOLLRUSA-N 1 2 332.831 3.164 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1CCCC12CC2 ZINC001085667926 1358672685 /nfs/dbraw/zinc/67/26/85/1358672685.db2.gz RITYXOBLTGYFGL-MOPGFXCFSA-N 1 2 337.467 3.171 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1CCCC12CC2 ZINC001085667926 1358672686 /nfs/dbraw/zinc/67/26/86/1358672686.db2.gz RITYXOBLTGYFGL-MOPGFXCFSA-N 1 2 337.467 3.171 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)C(C)(C)C(C)C)C[C@H](C)O2 ZINC001071169185 1354486211 /nfs/dbraw/zinc/48/62/11/1354486211.db2.gz NKJGQWLMSIOMTA-YJBOKZPZSA-N 1 2 342.911 3.113 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C(C)(C)C(C)C)C[C@H](C)O2 ZINC001071169185 1354486214 /nfs/dbraw/zinc/48/62/14/1354486214.db2.gz NKJGQWLMSIOMTA-YJBOKZPZSA-N 1 2 342.911 3.113 20 30 EGEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC001085966096 1358924332 /nfs/dbraw/zinc/92/43/32/1358924332.db2.gz ANZLEYPJIRERQB-HOCLYGCPSA-N 1 2 330.497 3.043 20 30 EGEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC001085966096 1358924335 /nfs/dbraw/zinc/92/43/35/1358924335.db2.gz ANZLEYPJIRERQB-HOCLYGCPSA-N 1 2 330.497 3.043 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C2CCCC2)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC001071293210 1354543356 /nfs/dbraw/zinc/54/33/56/1354543356.db2.gz BJVKLFWEAJUPCN-RDTXWAMCSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C2CCCC2)C[N@H+]1Cc1cc(C#N)ccc1F ZINC001071293210 1354543359 /nfs/dbraw/zinc/54/33/59/1354543359.db2.gz BJVKLFWEAJUPCN-RDTXWAMCSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)c2ccsc2)C[N@@H+]1Cc1ccccc1C#N ZINC001071335026 1354601395 /nfs/dbraw/zinc/60/13/95/1354601395.db2.gz PGVCYCWEKBDTSO-KSSFIOAISA-N 1 2 339.464 3.403 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)c2ccsc2)C[N@H+]1Cc1ccccc1C#N ZINC001071335026 1354601400 /nfs/dbraw/zinc/60/14/00/1354601400.db2.gz PGVCYCWEKBDTSO-KSSFIOAISA-N 1 2 339.464 3.403 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)c2ccsc2)C[N@@H+]1Cc1ccccc1C#N ZINC001071335024 1354602172 /nfs/dbraw/zinc/60/21/72/1354602172.db2.gz PGVCYCWEKBDTSO-KBXCAEBGSA-N 1 2 339.464 3.403 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)c2ccsc2)C[N@H+]1Cc1ccccc1C#N ZINC001071335024 1354602178 /nfs/dbraw/zinc/60/21/78/1354602178.db2.gz PGVCYCWEKBDTSO-KBXCAEBGSA-N 1 2 339.464 3.403 20 30 EGEDLO C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C(F)C(F)(F)F)C2)CC1 ZINC001086924332 1359250032 /nfs/dbraw/zinc/25/00/32/1359250032.db2.gz PPOCFEWLYGPPPF-OLZOCXBDSA-N 1 2 336.373 3.166 20 30 EGEDLO C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](F)C(F)(F)F)C2)CC1 ZINC001086924332 1359250033 /nfs/dbraw/zinc/25/00/33/1359250033.db2.gz PPOCFEWLYGPPPF-OLZOCXBDSA-N 1 2 336.373 3.166 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2nc(C(C)C)oc2C)CC[C@H]1C ZINC001071508482 1354733826 /nfs/dbraw/zinc/73/38/26/1354733826.db2.gz OQERLZRPWSDAIN-TZMCWYRMSA-N 1 2 339.867 3.442 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2nc(C(C)C)oc2C)CC[C@H]1C ZINC001071508482 1354733830 /nfs/dbraw/zinc/73/38/30/1354733830.db2.gz OQERLZRPWSDAIN-TZMCWYRMSA-N 1 2 339.867 3.442 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C2(F)CCCC2)C[N@@H+]1Cc1ccccc1C#N ZINC001071625130 1354808096 /nfs/dbraw/zinc/80/80/96/1354808096.db2.gz MRTPDXMXLGKPKV-QAPCUYQASA-N 1 2 343.446 3.310 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C2(F)CCCC2)C[N@H+]1Cc1ccccc1C#N ZINC001071625130 1354808100 /nfs/dbraw/zinc/80/81/00/1354808100.db2.gz MRTPDXMXLGKPKV-QAPCUYQASA-N 1 2 343.446 3.310 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2-c2ccoc2)CC[C@@H]1C ZINC001071702244 1354861514 /nfs/dbraw/zinc/86/15/14/1354861514.db2.gz WGVJSBATKYTNNY-JSGCOSHPSA-N 1 2 348.834 3.005 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2-c2ccoc2)CC[C@@H]1C ZINC001071702244 1354861519 /nfs/dbraw/zinc/86/15/19/1354861519.db2.gz WGVJSBATKYTNNY-JSGCOSHPSA-N 1 2 348.834 3.005 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cccc(F)c2F)CC[C@@H]1C ZINC001071775653 1354922413 /nfs/dbraw/zinc/92/24/13/1354922413.db2.gz GFZQVUCZJKTKHR-RYUDHWBXSA-N 1 2 328.790 3.300 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cccc(F)c2F)CC[C@@H]1C ZINC001071775653 1354922417 /nfs/dbraw/zinc/92/24/17/1354922417.db2.gz GFZQVUCZJKTKHR-RYUDHWBXSA-N 1 2 328.790 3.300 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3ccc(F)cn3)C2)CC1 ZINC001071795005 1354940711 /nfs/dbraw/zinc/94/07/11/1354940711.db2.gz HFYNRBBUWPQQFM-HNAYVOBHSA-N 1 2 345.462 3.436 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3ccc(F)cn3)C2)CC1 ZINC001071795005 1354940713 /nfs/dbraw/zinc/94/07/13/1354940713.db2.gz HFYNRBBUWPQQFM-HNAYVOBHSA-N 1 2 345.462 3.436 20 30 EGEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(=C)Cl)C2)cc1 ZINC001071868273 1354993994 /nfs/dbraw/zinc/99/39/94/1354993994.db2.gz ILXOUTVZEDPXBD-RDJZCZTQSA-N 1 2 346.858 3.034 20 30 EGEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(=C)Cl)C2)cc1 ZINC001071868273 1354993998 /nfs/dbraw/zinc/99/39/98/1354993998.db2.gz ILXOUTVZEDPXBD-RDJZCZTQSA-N 1 2 346.858 3.034 20 30 EGEDLO C#CCOc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(=C)Cl)C2)cc1 ZINC001071868271 1354994375 /nfs/dbraw/zinc/99/43/75/1354994375.db2.gz ILXOUTVZEDPXBD-DOTOQJQBSA-N 1 2 346.858 3.034 20 30 EGEDLO C#CCOc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(=C)Cl)C2)cc1 ZINC001071868271 1354994380 /nfs/dbraw/zinc/99/43/80/1354994380.db2.gz ILXOUTVZEDPXBD-DOTOQJQBSA-N 1 2 346.858 3.034 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc(C)cc3c[nH]nc32)CC[C@H]1C ZINC001071890857 1355009739 /nfs/dbraw/zinc/00/97/39/1355009739.db2.gz STCSXHNQDIQMJM-UKRRQHHQSA-N 1 2 346.862 3.207 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc(C)cc3c[nH]nc32)CC[C@H]1C ZINC001071890857 1355009740 /nfs/dbraw/zinc/00/97/40/1355009740.db2.gz STCSXHNQDIQMJM-UKRRQHHQSA-N 1 2 346.862 3.207 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1coc(CC)n1 ZINC001089630715 1360547690 /nfs/dbraw/zinc/54/76/90/1360547690.db2.gz VFVNGCYBMWLNFA-CYBMUJFWSA-N 1 2 339.867 3.210 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1coc(CC)n1 ZINC001089630715 1360547692 /nfs/dbraw/zinc/54/76/92/1360547692.db2.gz VFVNGCYBMWLNFA-CYBMUJFWSA-N 1 2 339.867 3.210 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc(N(C)C)cc2)CC[C@@H]1C ZINC001072029560 1355090194 /nfs/dbraw/zinc/09/01/94/1355090194.db2.gz IMAPILYEIFMUJX-GOEBONIOSA-N 1 2 335.879 3.088 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc(N(C)C)cc2)CC[C@@H]1C ZINC001072029560 1355090197 /nfs/dbraw/zinc/09/01/97/1355090197.db2.gz IMAPILYEIFMUJX-GOEBONIOSA-N 1 2 335.879 3.088 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccccc2OCC)CC[C@H]1C ZINC001072036256 1355092901 /nfs/dbraw/zinc/09/29/01/1355092901.db2.gz AKPFUDAFKHFTKR-HUUCEWRRSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccccc2OCC)CC[C@H]1C ZINC001072036256 1355092903 /nfs/dbraw/zinc/09/29/03/1355092903.db2.gz AKPFUDAFKHFTKR-HUUCEWRRSA-N 1 2 336.863 3.421 20 30 EGEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2sc(Cl)nc2Cl)CC[C@H]1C ZINC001072076526 1355115260 /nfs/dbraw/zinc/11/52/60/1355115260.db2.gz QIAMGTPBUUTPKY-ZJUUUORDSA-N 1 2 346.283 3.056 20 30 EGEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2sc(Cl)nc2Cl)CC[C@H]1C ZINC001072076526 1355115263 /nfs/dbraw/zinc/11/52/63/1355115263.db2.gz QIAMGTPBUUTPKY-ZJUUUORDSA-N 1 2 346.283 3.056 20 30 EGEDLO CC(C)(C)CC(=O)N1CC2(C1)CC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001072460748 1355297196 /nfs/dbraw/zinc/29/71/96/1355297196.db2.gz XUYJJCGHSWHILQ-UHFFFAOYSA-N 1 2 343.446 3.168 20 30 EGEDLO CC(C)(C)CC(=O)N1CC2(C1)CC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001072460748 1355297198 /nfs/dbraw/zinc/29/71/98/1355297198.db2.gz XUYJJCGHSWHILQ-UHFFFAOYSA-N 1 2 343.446 3.168 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C2CCC(C)(C)CC2)C1 ZINC001073904869 1355948531 /nfs/dbraw/zinc/94/85/31/1355948531.db2.gz PFWGDTDGZZQCGK-MRXNPFEDSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C2CCC(C)(C)CC2)C1 ZINC001073904869 1355948539 /nfs/dbraw/zinc/94/85/39/1355948539.db2.gz PFWGDTDGZZQCGK-MRXNPFEDSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C(F)F)c2)C1 ZINC001080820064 1357744119 /nfs/dbraw/zinc/74/41/19/1357744119.db2.gz MJWIOCQYSZDTRA-QMTHXVAHSA-N 1 2 328.790 3.427 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C(F)F)c2)C1 ZINC001080820064 1357744121 /nfs/dbraw/zinc/74/41/21/1357744121.db2.gz MJWIOCQYSZDTRA-QMTHXVAHSA-N 1 2 328.790 3.427 20 30 EGEDLO CC[C@H](F)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC001074050593 1356055180 /nfs/dbraw/zinc/05/51/80/1356055180.db2.gz IUPSMEPFNRDAEM-MSOLQXFVSA-N 1 2 349.425 3.258 20 30 EGEDLO CC[C@H](F)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001074050593 1356055182 /nfs/dbraw/zinc/05/51/82/1356055182.db2.gz IUPSMEPFNRDAEM-MSOLQXFVSA-N 1 2 349.425 3.258 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C3CCC3)C3CCC3)C[C@@H]21 ZINC001074321470 1356168320 /nfs/dbraw/zinc/16/83/20/1356168320.db2.gz KMDQGNYANZHRSA-RBUKOAKNSA-N 1 2 346.515 3.081 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C(C3CCC3)C3CCC3)C[C@@H]21 ZINC001074321470 1356168323 /nfs/dbraw/zinc/16/83/23/1356168323.db2.gz KMDQGNYANZHRSA-RBUKOAKNSA-N 1 2 346.515 3.081 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3c(C)cccc3Cl)C[C@H]21 ZINC001074329806 1356171936 /nfs/dbraw/zinc/17/19/36/1356171936.db2.gz QLRPPENACZABME-SJORKVTESA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3c(C)cccc3Cl)C[C@H]21 ZINC001074329806 1356171938 /nfs/dbraw/zinc/17/19/38/1356171938.db2.gz QLRPPENACZABME-SJORKVTESA-N 1 2 348.874 3.140 20 30 EGEDLO CCCC(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075489923 1356407187 /nfs/dbraw/zinc/40/71/87/1356407187.db2.gz HERXKXCVHWCBSK-FUHWJXTLSA-N 1 2 330.859 3.024 20 30 EGEDLO CCCC(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075489923 1356407189 /nfs/dbraw/zinc/40/71/89/1356407189.db2.gz HERXKXCVHWCBSK-FUHWJXTLSA-N 1 2 330.859 3.024 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(C(C)C)n3)[C@@H]2C1 ZINC001075995067 1356463546 /nfs/dbraw/zinc/46/35/46/1356463546.db2.gz WWBMTKHSQLDNNR-WMLDXEAASA-N 1 2 333.863 3.104 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(C(C)C)n3)[C@@H]2C1 ZINC001075995067 1356463550 /nfs/dbraw/zinc/46/35/50/1356463550.db2.gz WWBMTKHSQLDNNR-WMLDXEAASA-N 1 2 333.863 3.104 20 30 EGEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1ccc(N2CCOC2=O)cc1 ZINC001323088803 1387286542 /nfs/dbraw/zinc/28/65/42/1387286542.db2.gz SXLYNMCJZGCYJT-YFHOEESVSA-N 1 2 337.379 3.000 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nocc1C ZINC001099029030 1363584763 /nfs/dbraw/zinc/58/47/63/1363584763.db2.gz PZKVOHRHNGXHMM-KRWDZBQOSA-N 1 2 345.487 3.283 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nocc1C ZINC001099029030 1363584765 /nfs/dbraw/zinc/58/47/65/1363584765.db2.gz PZKVOHRHNGXHMM-KRWDZBQOSA-N 1 2 345.487 3.283 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001077775738 1356839780 /nfs/dbraw/zinc/83/97/80/1356839780.db2.gz LYHJEPWTLGCMPD-AWEZNQCLSA-N 1 2 345.487 3.234 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C)cc(OC)c3C)[C@@H]2C1 ZINC001084487230 1358222531 /nfs/dbraw/zinc/22/25/31/1358222531.db2.gz DQBKLMMHCYUERN-NVXWUHKLSA-N 1 2 348.874 3.211 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C)cc(OC)c3C)[C@@H]2C1 ZINC001084487230 1358222534 /nfs/dbraw/zinc/22/25/34/1358222534.db2.gz DQBKLMMHCYUERN-NVXWUHKLSA-N 1 2 348.874 3.211 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)c3ccc(C)cc3)[C@@H]2C1 ZINC001084782795 1358307660 /nfs/dbraw/zinc/30/76/60/1358307660.db2.gz KUXBMCWIXJPDPI-KBAYOESNSA-N 1 2 332.875 3.384 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)c3ccc(C)cc3)[C@@H]2C1 ZINC001084782795 1358307664 /nfs/dbraw/zinc/30/76/64/1358307664.db2.gz KUXBMCWIXJPDPI-KBAYOESNSA-N 1 2 332.875 3.384 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4ccccc4[nH]3)[C@@H]2C1 ZINC001084818747 1358320362 /nfs/dbraw/zinc/32/03/62/1358320362.db2.gz QKPYBAQXWQWBIE-RHSMWYFYSA-N 1 2 329.831 3.067 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc4ccccc4[nH]3)[C@@H]2C1 ZINC001084818747 1358320363 /nfs/dbraw/zinc/32/03/63/1358320363.db2.gz QKPYBAQXWQWBIE-RHSMWYFYSA-N 1 2 329.831 3.067 20 30 EGEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1oc2ccc(F)cc2c1C ZINC001085641299 1358655116 /nfs/dbraw/zinc/65/51/16/1358655116.db2.gz IQQJJMVESCRBOP-HNNXBMFYSA-N 1 2 328.387 3.050 20 30 EGEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1oc2ccc(F)cc2c1C ZINC001085641299 1358655120 /nfs/dbraw/zinc/65/51/20/1358655120.db2.gz IQQJJMVESCRBOP-HNNXBMFYSA-N 1 2 328.387 3.050 20 30 EGEDLO 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/nfs/dbraw/zinc/86/05/32/1358860532.db2.gz OLALRXNXJFJXRZ-INIZCTEOSA-N 1 2 326.465 3.379 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1)C(=O)c1ccc(F)s1 ZINC001085997981 1358953422 /nfs/dbraw/zinc/95/34/22/1358953422.db2.gz KGYSNEUUTMCXBW-OAHLLOKOSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1cccc(C#N)c1)C(=O)c1ccc(F)s1 ZINC001085997981 1358953426 /nfs/dbraw/zinc/95/34/26/1358953426.db2.gz KGYSNEUUTMCXBW-OAHLLOKOSA-N 1 2 343.427 3.105 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cscn2)C1 ZINC001086578437 1359153720 /nfs/dbraw/zinc/15/37/20/1359153720.db2.gz KSZLNRPTSRWDMA-LSDHHAIUSA-N 1 2 347.871 3.093 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cscn2)C1 ZINC001086578437 1359153722 /nfs/dbraw/zinc/15/37/22/1359153722.db2.gz KSZLNRPTSRWDMA-LSDHHAIUSA-N 1 2 347.871 3.093 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)C2CC2)C1 ZINC001086581380 1359154761 /nfs/dbraw/zinc/15/47/61/1359154761.db2.gz WOSUPKKDXXJWNF-JCGIZDLHSA-N 1 2 332.875 3.369 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)C2CC2)C1 ZINC001086581380 1359154764 /nfs/dbraw/zinc/15/47/64/1359154764.db2.gz WOSUPKKDXXJWNF-JCGIZDLHSA-N 1 2 332.875 3.369 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(-c3ccco3)on2)[C@H]1CC ZINC001087677460 1359585843 /nfs/dbraw/zinc/58/58/43/1359585843.db2.gz RGDSXADWOACNGW-GXTWGEPZSA-N 1 2 349.818 3.270 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(-c3ccco3)on2)[C@H]1CC ZINC001087677460 1359585845 /nfs/dbraw/zinc/58/58/45/1359585845.db2.gz RGDSXADWOACNGW-GXTWGEPZSA-N 1 2 349.818 3.270 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2occc2Cl)CC[N@@H+]1CC#Cc1ccccc1 ZINC001088839105 1360073644 /nfs/dbraw/zinc/07/36/44/1360073644.db2.gz SOBLNAQSDNIWHD-PBHICJAKSA-N 1 2 342.826 3.177 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2occc2Cl)CC[N@H+]1CC#Cc1ccccc1 ZINC001088839105 1360073645 /nfs/dbraw/zinc/07/36/45/1360073645.db2.gz SOBLNAQSDNIWHD-PBHICJAKSA-N 1 2 342.826 3.177 20 30 EGEDLO 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ZINC001088889510 1360093446 /nfs/dbraw/zinc/09/34/46/1360093446.db2.gz WARPTRVMDDUDJB-QAPCUYQASA-N 1 2 345.874 3.008 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ncc(Cl)cc2Cl)[C@H]1C ZINC001088940827 1360109303 /nfs/dbraw/zinc/10/93/03/1360109303.db2.gz RPWOCRPSJLDWKY-SKDRFNHKSA-N 1 2 348.661 3.334 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(Cl)cc(OC)c2)[C@H]1C ZINC001088934866 1360107710 /nfs/dbraw/zinc/10/77/10/1360107710.db2.gz BIRASONNUBWLTP-ABAIWWIYSA-N 1 2 343.254 3.294 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)cc(OC)c2)[C@H]1C ZINC001088934866 1360107713 /nfs/dbraw/zinc/10/77/13/1360107713.db2.gz BIRASONNUBWLTP-ABAIWWIYSA-N 1 2 343.254 3.294 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ncc(Cl)cc2Cl)[C@H]1C ZINC001088940827 1360109302 /nfs/dbraw/zinc/10/93/02/1360109302.db2.gz RPWOCRPSJLDWKY-SKDRFNHKSA-N 1 2 348.661 3.334 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccc(F)c(F)c2)[C@H]1C ZINC001089050974 1360147358 /nfs/dbraw/zinc/14/73/58/1360147358.db2.gz 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/nfs/dbraw/zinc/22/79/64/1361227964.db2.gz FSKMUIXAMWMOTM-FGTMMUONSA-N 1 2 344.503 3.478 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CCN(c2nc(C)[nH+]c3c2CCCC3)[C@@H]1C ZINC001092021087 1361275696 /nfs/dbraw/zinc/27/56/96/1361275696.db2.gz BBKQJQITWLKSKK-PBHICJAKSA-N 1 2 342.487 3.104 20 30 EGEDLO C#CCCCC(=O)N1CCC(C(C)(C)CNc2cc[nH+]c(C)n2)CC1 ZINC001092308857 1361361348 /nfs/dbraw/zinc/36/13/48/1361361348.db2.gz BYJWVTKGPPBDDS-UHFFFAOYSA-N 1 2 342.487 3.265 20 30 EGEDLO Cc1nc(NCC(C)(C)C2CCN(C(=O)C#CC(C)C)CC2)cc[nH+]1 ZINC001092309227 1361361468 /nfs/dbraw/zinc/36/14/68/1361361468.db2.gz ZBAHNNZNPRDWAK-UHFFFAOYSA-N 1 2 342.487 3.121 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001092429918 1361380640 /nfs/dbraw/zinc/38/06/40/1361380640.db2.gz QMSFPGCAMHAZHN-CXAGYDPISA-N 1 2 344.503 3.193 20 30 EGEDLO C=CCC1(C(=O)NCC[C@@H]2CN(c3cc[nH+]c(C)n3)C[C@H]2C)CCC1 ZINC001092579541 1361415320 /nfs/dbraw/zinc/41/53/20/1361415320.db2.gz VQZRWEDGQFGHLV-NVXWUHKLSA-N 1 2 342.487 3.110 20 30 EGEDLO C#CCCCCCC(=O)N1C[C@@H](C)[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001092625335 1361424398 /nfs/dbraw/zinc/42/43/98/1361424398.db2.gz MBJZEVWAYNSKSJ-SJLPKXTDSA-N 1 2 342.487 3.265 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001092904325 1361482806 /nfs/dbraw/zinc/48/28/06/1361482806.db2.gz DBRZBGYPKBSTAR-ORQFMDKSSA-N 1 2 342.487 3.176 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001092905279 1361483485 /nfs/dbraw/zinc/48/34/85/1361483485.db2.gz ZZWUAUSHQFSLOP-NCOADZHNSA-N 1 2 342.487 3.176 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001093036519 1361513090 /nfs/dbraw/zinc/51/30/90/1361513090.db2.gz AKNJVMZXNVJWST-LIRZEXBASA-N 1 2 342.487 3.176 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001093036665 1361513111 /nfs/dbraw/zinc/51/31/11/1361513111.db2.gz ITWAVCPRLXFBLR-XKDXWZMYSA-N 1 2 342.487 3.230 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001093037601 1361513702 /nfs/dbraw/zinc/51/37/02/1361513702.db2.gz RGGJIYWDRLNPKT-DDBAPUKQSA-N 1 2 342.487 3.176 20 30 EGEDLO C#CCCCCC(=O)N1C[C@@H]2CCC[C@]2(CNc2cc[nH+]c(C)n2)C1 ZINC001093123878 1361534410 /nfs/dbraw/zinc/53/44/10/1361534410.db2.gz FFHZXYSEGFKREQ-PXNSSMCTSA-N 1 2 340.471 3.019 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3cccc(F)c3C)CC2)C1 ZINC001093537115 1361636226 /nfs/dbraw/zinc/63/62/26/1361636226.db2.gz FFWOJEZXPPWRDH-UHFFFAOYSA-N 1 2 346.446 3.016 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C3(C)CCCCCC3)CC2)C1 ZINC001093542763 1361637699 /nfs/dbraw/zinc/63/76/99/1361637699.db2.gz DBFJXVHWZLTQPS-UHFFFAOYSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CCCC[C@H]3CC)CC2)C1 ZINC001093587472 1361650358 /nfs/dbraw/zinc/65/03/58/1361650358.db2.gz RZDWFOPVSZOWAJ-XLIONFOSSA-N 1 2 348.531 3.471 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@]3(C)CC=C(C)CC3)CC2)C1 ZINC001093598299 1361652841 /nfs/dbraw/zinc/65/28/41/1361652841.db2.gz GZDXDZDPPWPXII-OAQYLSRUSA-N 1 2 346.515 3.391 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cccc(C4CC4)c3)CC2)C1 ZINC001093599921 1361654161 /nfs/dbraw/zinc/65/41/61/1361654161.db2.gz JHESWANWNKPRNJ-UHFFFAOYSA-N 1 2 340.467 3.055 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C3CC(C(C)(C)C)C3)CC2)C1 ZINC001093600260 1361654398 /nfs/dbraw/zinc/65/43/98/1361654398.db2.gz ROYUBBJNGBSMTK-UHFFFAOYSA-N 1 2 348.531 3.327 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3C[C@H](C)C[C@H](C)C3)CC2)C1 ZINC001093600016 1361654667 /nfs/dbraw/zinc/65/46/67/1361654667.db2.gz LDLCPKUDWLRKMB-PIIMJCKOSA-N 1 2 348.531 3.327 20 30 EGEDLO CC(C)c1cc(NCCCNC(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001094400169 1361786757 /nfs/dbraw/zinc/78/67/57/1361786757.db2.gz NWROIAPLAOBKOS-UHFFFAOYSA-N 1 2 328.460 3.055 20 30 EGEDLO CCCCCCCCC(=O)NCCCNc1[nH+]cnc2c1cnn2C ZINC001094415855 1361791778 /nfs/dbraw/zinc/79/17/78/1361791778.db2.gz UFCAIZDBGVOMCK-UHFFFAOYSA-N 1 2 346.479 3.032 20 30 EGEDLO C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3n[nH]c4ccc(C)cc43)CCC[C@@H]12 ZINC001094458251 1361809410 /nfs/dbraw/zinc/80/94/10/1361809410.db2.gz LXKZZESCQWKJJE-YLJYHZDGSA-N 1 2 338.455 3.032 20 30 EGEDLO C=CC[N@H+]1CC[C@@]2(CNC(=O)c3n[nH]c4ccc(C)cc43)CCC[C@@H]12 ZINC001094458251 1361809414 /nfs/dbraw/zinc/80/94/14/1361809414.db2.gz LXKZZESCQWKJJE-YLJYHZDGSA-N 1 2 338.455 3.032 20 30 EGEDLO C#CCC1(C(=O)NCCCCCCNc2cc[nH+]c(C)n2)CCC1 ZINC001094972919 1361970269 /nfs/dbraw/zinc/97/02/69/1361970269.db2.gz IJLUTPWHKBDCSQ-UHFFFAOYSA-N 1 2 328.460 3.067 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC=CCC1)C2 ZINC001095165719 1362038572 /nfs/dbraw/zinc/03/85/72/1362038572.db2.gz ROYCJOHZHYIHNR-LDTOTXGLSA-N 1 2 335.451 3.136 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC=CCC1)C2 ZINC001095165719 1362038576 /nfs/dbraw/zinc/03/85/76/1362038576.db2.gz ROYCJOHZHYIHNR-LDTOTXGLSA-N 1 2 335.451 3.136 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095201104 1362050847 /nfs/dbraw/zinc/05/08/47/1362050847.db2.gz DSXJRFQAVZDRBM-QGZVFWFLSA-N 1 2 330.476 3.043 20 30 EGEDLO C#CCCCC(=O)N1CCC[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001095296189 1362088035 /nfs/dbraw/zinc/08/80/35/1362088035.db2.gz SSSZYHOJZSTVPM-INIZCTEOSA-N 1 2 328.460 3.115 20 30 EGEDLO CC#CCCCC(=O)N1CCC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095323730 1362100754 /nfs/dbraw/zinc/10/07/54/1362100754.db2.gz ZOMMILHFLKOUHP-KRWDZBQOSA-N 1 2 340.471 3.259 20 30 EGEDLO C=CC(C)(C)CC(=O)NCC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095366944 1362116528 /nfs/dbraw/zinc/11/65/28/1362116528.db2.gz BOXKDIOJSXVICB-UHFFFAOYSA-N 1 2 344.503 3.337 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc(CCC)c1)C2 ZINC001095572054 1362172627 /nfs/dbraw/zinc/17/26/27/1362172627.db2.gz NKJFZLYKJXRYFJ-IKGGRYGDSA-N 1 2 333.863 3.122 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc(CCC)c1)C2 ZINC001095572054 1362172629 /nfs/dbraw/zinc/17/26/29/1362172629.db2.gz NKJFZLYKJXRYFJ-IKGGRYGDSA-N 1 2 333.863 3.122 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3ncccc31)C2 ZINC001095835723 1362249841 /nfs/dbraw/zinc/24/98/41/1362249841.db2.gz AJMXEFHNFZGFJT-BVGQSLNGSA-N 1 2 341.842 3.322 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3ncccc31)C2 ZINC001095835723 1362249843 /nfs/dbraw/zinc/24/98/43/1362249843.db2.gz AJMXEFHNFZGFJT-BVGQSLNGSA-N 1 2 341.842 3.322 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCCN(CC)c1nc(C)[nH+]c(C)c1C ZINC001095946334 1362299098 /nfs/dbraw/zinc/29/90/98/1362299098.db2.gz AMGGTBMICZKGJM-CQSZACIVSA-N 1 2 332.492 3.337 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC(F)(F)C1)C2 ZINC001095998406 1362328128 /nfs/dbraw/zinc/32/81/28/1362328128.db2.gz OASYUBQNKBWZGA-CRWXNKLISA-N 1 2 332.822 3.286 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC(F)(F)C1)C2 ZINC001095998406 1362328131 /nfs/dbraw/zinc/32/81/31/1362328131.db2.gz OASYUBQNKBWZGA-CRWXNKLISA-N 1 2 332.822 3.286 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CCCN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC001096225047 1362441964 /nfs/dbraw/zinc/44/19/64/1362441964.db2.gz UYGKDRDJBHMRRA-INIZCTEOSA-N 1 2 342.487 3.105 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096464103 1362520309 /nfs/dbraw/zinc/52/03/09/1362520309.db2.gz DIXCKYUHAMOHRE-OAHLLOKOSA-N 1 2 330.476 3.206 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096464101 1362520462 /nfs/dbraw/zinc/52/04/62/1362520462.db2.gz DIXCKYUHAMOHRE-HNNXBMFYSA-N 1 2 330.476 3.206 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096466733 1362521938 /nfs/dbraw/zinc/52/19/38/1362521938.db2.gz TUIQIVHGRNQRDR-JKSUJKDBSA-N 1 2 330.476 3.206 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)c(C)o1 ZINC001096791390 1362709483 /nfs/dbraw/zinc/70/94/83/1362709483.db2.gz JCTMYGMDRKRHSA-RLLQIKCJSA-N 1 2 349.434 3.303 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)c(C)o1 ZINC001096791390 1362709491 /nfs/dbraw/zinc/70/94/91/1362709491.db2.gz JCTMYGMDRKRHSA-RLLQIKCJSA-N 1 2 349.434 3.303 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC[C@H](CN(C)c2cc[nH+]c(C)n2)C1 ZINC001096873919 1362761047 /nfs/dbraw/zinc/76/10/47/1362761047.db2.gz JTPHBHRBTIGZSG-QGZVFWFLSA-N 1 2 342.487 3.228 20 30 EGEDLO C=CCCC(=O)N1CCC[C@@H]2CN(c3nc(C)[nH+]c(C)c3C)CC[C@H]21 ZINC001097136180 1362860432 /nfs/dbraw/zinc/86/04/32/1362860432.db2.gz FXGLVDDWDQKDGN-QZTJIDSGSA-N 1 2 342.487 3.185 20 30 EGEDLO C#CCC1(C(=O)N[C@H]2C[C@@H](Nc3cc(C)[nH+]c(C(C)C)n3)C2)CCC1 ZINC001097226639 1362892932 /nfs/dbraw/zinc/89/29/32/1362892932.db2.gz ZZYWHEZSNYLCCC-IYBDPMFKSA-N 1 2 340.471 3.161 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001097242039 1362898661 /nfs/dbraw/zinc/89/86/61/1362898661.db2.gz MGKQMRYBVCSQGS-XOUADPBQSA-N 1 2 342.487 3.181 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H](C)[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001097542638 1363049976 /nfs/dbraw/zinc/04/99/76/1363049976.db2.gz KBFPCZDXUSJYJF-HOCLYGCPSA-N 1 2 330.476 3.108 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H](C)[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001097545436 1363053104 /nfs/dbraw/zinc/05/31/04/1363053104.db2.gz LVDLVROTETYRHL-WMZOPIPTSA-N 1 2 342.487 3.090 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C3CC3)CCC1)C2 ZINC001097588611 1363061890 /nfs/dbraw/zinc/06/18/90/1363061890.db2.gz VUVNODIXTKLXIK-AQNXPRMDSA-N 1 2 349.478 3.360 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C3CC3)CCC1)C2 ZINC001097588611 1363061895 /nfs/dbraw/zinc/06/18/95/1363061895.db2.gz VUVNODIXTKLXIK-AQNXPRMDSA-N 1 2 349.478 3.360 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1C1CCC1)C2 ZINC001098011827 1363197323 /nfs/dbraw/zinc/19/73/23/1363197323.db2.gz GBSNIOKVMRYLCP-XNTOXWQXSA-N 1 2 349.478 3.216 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1C1CCC1)C2 ZINC001098011827 1363197326 /nfs/dbraw/zinc/19/73/26/1363197326.db2.gz GBSNIOKVMRYLCP-XNTOXWQXSA-N 1 2 349.478 3.216 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3cnccc3c1)C2 ZINC001098161959 1363240355 /nfs/dbraw/zinc/24/03/55/1363240355.db2.gz IIGMBDHMIAMZIF-KURKYZTESA-N 1 2 341.842 3.322 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3cnccc3c1)C2 ZINC001098161959 1363240357 /nfs/dbraw/zinc/24/03/57/1363240357.db2.gz IIGMBDHMIAMZIF-KURKYZTESA-N 1 2 341.842 3.322 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1sc(C)cc1C)C2 ZINC001098299669 1363289623 /nfs/dbraw/zinc/28/96/23/1363289623.db2.gz SNRBIKCDUCIHBH-KFWWJZLASA-N 1 2 338.904 3.381 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1sc(C)cc1C)C2 ZINC001098299669 1363289625 /nfs/dbraw/zinc/28/96/25/1363289625.db2.gz SNRBIKCDUCIHBH-KFWWJZLASA-N 1 2 338.904 3.381 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1CCC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001098636366 1363410188 /nfs/dbraw/zinc/41/01/88/1363410188.db2.gz FFZPVDRVBMGTBA-UONOGXRCSA-N 1 2 336.867 3.403 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001098704555 1363441346 /nfs/dbraw/zinc/44/13/46/1363441346.db2.gz KTZADKCJHCZEIR-KRWDZBQOSA-N 1 2 344.503 3.431 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001098720084 1363448568 /nfs/dbraw/zinc/44/85/68/1363448568.db2.gz UNWMGDYXOIHHMW-ZWKOTPCHSA-N 1 2 344.503 3.431 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)n1cccc1 ZINC001099023986 1363581738 /nfs/dbraw/zinc/58/17/38/1363581738.db2.gz YMEGUIUFUXDSJD-JKSUJKDBSA-N 1 2 337.895 3.408 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)n1cccc1 ZINC001099023986 1363581739 /nfs/dbraw/zinc/58/17/39/1363581739.db2.gz YMEGUIUFUXDSJD-JKSUJKDBSA-N 1 2 337.895 3.408 20 30 EGEDLO CCc1cnc(C[N@@H+]2CC(C)(C)CC[C@H]2CNC(=O)C#CC(C)C)o1 ZINC001099065593 1363604386 /nfs/dbraw/zinc/60/43/86/1363604386.db2.gz UYYOCIYXMGCIEE-INIZCTEOSA-N 1 2 345.487 3.003 20 30 EGEDLO CCc1cnc(C[N@H+]2CC(C)(C)CC[C@H]2CNC(=O)C#CC(C)C)o1 ZINC001099065593 1363604387 /nfs/dbraw/zinc/60/43/87/1363604387.db2.gz UYYOCIYXMGCIEE-INIZCTEOSA-N 1 2 345.487 3.003 20 30 EGEDLO Cc1nc(C[N@@H+]2CC(C)(C)CC[C@@H]2CNC(=O)C#CC(C)(C)C)co1 ZINC001099069307 1363606067 /nfs/dbraw/zinc/60/60/67/1363606067.db2.gz FIPPMLZUHIYDSS-QGZVFWFLSA-N 1 2 345.487 3.139 20 30 EGEDLO Cc1nc(C[N@H+]2CC(C)(C)CC[C@@H]2CNC(=O)C#CC(C)(C)C)co1 ZINC001099069307 1363606069 /nfs/dbraw/zinc/60/60/69/1363606069.db2.gz FIPPMLZUHIYDSS-QGZVFWFLSA-N 1 2 345.487 3.139 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nccn1C ZINC001099213157 1363694423 /nfs/dbraw/zinc/69/44/23/1363694423.db2.gz ADNRWHOKVKGADZ-JXFKEZNVSA-N 1 2 346.519 3.129 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nccn1C ZINC001099213157 1363694427 /nfs/dbraw/zinc/69/44/27/1363694427.db2.gz ADNRWHOKVKGADZ-JXFKEZNVSA-N 1 2 346.519 3.129 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nccn1C ZINC001099213159 1363694519 /nfs/dbraw/zinc/69/45/19/1363694519.db2.gz ADNRWHOKVKGADZ-OXJNMPFZSA-N 1 2 346.519 3.129 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nccn1C ZINC001099213159 1363694522 /nfs/dbraw/zinc/69/45/22/1363694522.db2.gz ADNRWHOKVKGADZ-OXJNMPFZSA-N 1 2 346.519 3.129 20 30 EGEDLO C=CC(C)(C)C(=O)NCC[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001099616912 1363888876 /nfs/dbraw/zinc/88/88/76/1363888876.db2.gz MKTDTYOHWSRZMN-CYBMUJFWSA-N 1 2 330.476 3.183 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC[C@@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001099872923 1363972626 /nfs/dbraw/zinc/97/26/26/1363972626.db2.gz CNNAVWHWVJMAPN-QGZVFWFLSA-N 1 2 344.503 3.479 20 30 EGEDLO C=CCC(CC=C)C(=O)NCCN(CC)c1nc(C)[nH+]c(C)c1C ZINC001100633013 1364197018 /nfs/dbraw/zinc/19/70/18/1364197018.db2.gz ANAPYWMXJJHYLZ-UHFFFAOYSA-N 1 2 330.476 3.113 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCN(CC)c1nc(C)[nH+]c2c1CCCC2 ZINC001100691599 1364220427 /nfs/dbraw/zinc/22/04/27/1364220427.db2.gz URGMXIVHMCUUQO-CABCVRRESA-N 1 2 344.503 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PEUCHQFYGWTHJG-GDBMZVCRSA-N 1 2 348.491 3.196 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N(CC)CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001106687781 1366772370 /nfs/dbraw/zinc/77/23/70/1366772370.db2.gz AXPPDPNKSXVVOR-MRXNPFEDSA-N 1 2 348.491 3.150 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(Cl)n1 ZINC001109166451 1366985226 /nfs/dbraw/zinc/98/52/26/1366985226.db2.gz RITDKWVZIXPDAV-IKGGRYGDSA-N 1 2 345.874 3.150 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(Cl)n1 ZINC001109166451 1366985231 /nfs/dbraw/zinc/98/52/31/1366985231.db2.gz RITDKWVZIXPDAV-IKGGRYGDSA-N 1 2 345.874 3.150 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H](C)CN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001109184820 1366991833 /nfs/dbraw/zinc/99/18/33/1366991833.db2.gz IPSQLROOCMPSAN-HUUCEWRRSA-N 1 2 344.503 3.207 20 30 EGEDLO C=CCC1(C(=O)NC/C=C/CNc2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001107501134 1366998007 /nfs/dbraw/zinc/99/80/07/1366998007.db2.gz GDADSYATFLZQHM-SNAWJCMRSA-N 1 2 340.471 3.493 20 30 EGEDLO 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ZINC001189925699 1367132448 /nfs/dbraw/zinc/13/24/48/1367132448.db2.gz DXMYPLVFTXSEFF-HUUCEWRRSA-N 1 2 334.410 3.362 20 30 EGEDLO CCCc1nc(C[N@H+](C)[C@@H]2CCN(C(=O)C#CC(C)(C)C)C2)cs1 ZINC001190075616 1367166573 /nfs/dbraw/zinc/16/65/73/1367166573.db2.gz ADQXFDZHKLEYAJ-MRXNPFEDSA-N 1 2 347.528 3.178 20 30 EGEDLO CCCc1nc(C[N@@H+](C)[C@@H]2CCN(C(=O)C#CC(C)(C)C)C2)cs1 ZINC001190075616 1367166577 /nfs/dbraw/zinc/16/65/77/1367166577.db2.gz ADQXFDZHKLEYAJ-MRXNPFEDSA-N 1 2 347.528 3.178 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](OCC)C1CCCC1)C2 ZINC001109569232 1367203402 /nfs/dbraw/zinc/20/34/02/1367203402.db2.gz AYPXCHXFVKIJGB-LTIDMASMSA-N 1 2 340.895 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](OCC)C1CCCC1)C2 ZINC001109569232 1367203407 /nfs/dbraw/zinc/20/34/07/1367203407.db2.gz AYPXCHXFVKIJGB-LTIDMASMSA-N 1 2 340.895 3.056 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107949956 1367213685 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EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H]([N@@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001190355441 1367238534 /nfs/dbraw/zinc/23/85/34/1367238534.db2.gz ZWIWZSIHGOOUNA-SFHVURJKSA-N 1 2 343.471 3.353 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC=C(Cl)Cl ZINC001109627464 1367245306 /nfs/dbraw/zinc/24/53/06/1367245306.db2.gz SNWSACGTNMXBGZ-RDBSUJKOSA-N 1 2 329.271 3.221 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(Cl)Cl ZINC001109627464 1367245311 /nfs/dbraw/zinc/24/53/11/1367245311.db2.gz SNWSACGTNMXBGZ-RDBSUJKOSA-N 1 2 329.271 3.221 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001109631720 1367251381 /nfs/dbraw/zinc/25/13/81/1367251381.db2.gz LEFAXOIABPNMKZ-NBMRYCAZSA-N 1 2 331.435 3.045 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1 ZINC001109631720 1367251387 /nfs/dbraw/zinc/25/13/87/1367251387.db2.gz LEFAXOIABPNMKZ-NBMRYCAZSA-N 1 2 331.435 3.045 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001109634410 1367252731 /nfs/dbraw/zinc/25/27/31/1367252731.db2.gz LUCBPHRGVXNPPJ-DFGXFYAUSA-N 1 2 331.460 3.115 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001109634410 1367252737 /nfs/dbraw/zinc/25/27/37/1367252737.db2.gz LUCBPHRGVXNPPJ-DFGXFYAUSA-N 1 2 331.460 3.115 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncoc2C(C)C)C1 ZINC001190396841 1367253371 /nfs/dbraw/zinc/25/33/71/1367253371.db2.gz GYXDNZXGNLZSJA-OAHLLOKOSA-N 1 2 333.476 3.433 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ncoc2C(C)C)C1 ZINC001190396841 1367253375 /nfs/dbraw/zinc/25/33/75/1367253375.db2.gz GYXDNZXGNLZSJA-OAHLLOKOSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]([N@H+](C)Cc2cc(C(C)(C)C)on2)C1 ZINC001190428958 1367262491 /nfs/dbraw/zinc/26/24/91/1367262491.db2.gz RNRGNNJAZGCLSH-INIZCTEOSA-N 1 2 333.476 3.361 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C(C)(C)C)on2)C1 ZINC001190428958 1367262498 /nfs/dbraw/zinc/26/24/98/1367262498.db2.gz RNRGNNJAZGCLSH-INIZCTEOSA-N 1 2 333.476 3.361 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCc1ccccc1)C2 ZINC001109666292 1367272710 /nfs/dbraw/zinc/27/27/10/1367272710.db2.gz SEFJNJMLQXXWTC-SQNIBIBYSA-N 1 2 332.875 3.483 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCc1ccccc1)C2 ZINC001109666292 1367272714 /nfs/dbraw/zinc/27/27/14/1367272714.db2.gz SEFJNJMLQXXWTC-SQNIBIBYSA-N 1 2 332.875 3.483 20 30 EGEDLO C=CCCCC(=O)NC[C@@]1(C)C[N@H+](Cc2csc(C)c2)CCO1 ZINC001108169851 1367321475 /nfs/dbraw/zinc/32/14/75/1367321475.db2.gz YMLRACXZAINBLK-SFHVURJKSA-N 1 2 336.501 3.120 20 30 EGEDLO C=CCCCC(=O)NC[C@@]1(C)C[N@@H+](Cc2csc(C)c2)CCO1 ZINC001108169851 1367321481 /nfs/dbraw/zinc/32/14/81/1367321481.db2.gz YMLRACXZAINBLK-SFHVURJKSA-N 1 2 336.501 3.120 20 30 EGEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([N@H+](C)CC=C(Cl)Cl)C1 ZINC001190675501 1367325616 /nfs/dbraw/zinc/32/56/16/1367325616.db2.gz PBNHONZZHCYMSC-CYBMUJFWSA-N 1 2 342.270 3.139 20 30 EGEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([N@@H+](C)CC=C(Cl)Cl)C1 ZINC001190675501 1367325620 /nfs/dbraw/zinc/32/56/20/1367325620.db2.gz PBNHONZZHCYMSC-CYBMUJFWSA-N 1 2 342.270 3.139 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCC(C)(C)c2ccccc2)C1 ZINC001108434827 1367456826 /nfs/dbraw/zinc/45/68/26/1367456826.db2.gz YBSKCEWDIUSXKW-NRFANRHFSA-N 1 2 344.499 3.138 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCC(C)(C)c2ccccc2)C1 ZINC001108434827 1367456827 /nfs/dbraw/zinc/45/68/27/1367456827.db2.gz YBSKCEWDIUSXKW-NRFANRHFSA-N 1 2 344.499 3.138 20 30 EGEDLO C#CCC1(C(=O)N2CC[C@@H](Nc3cc[nH+]c(C)n3)[C@H](CC)C2)CCC1 ZINC001110036595 1367475916 /nfs/dbraw/zinc/47/59/16/1367475916.db2.gz VUDZSYGFUXIKCR-IAGOWNOFSA-N 1 2 340.471 3.018 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2cnc(Cl)s2)C1 ZINC001191868463 1367621770 /nfs/dbraw/zinc/62/17/70/1367621770.db2.gz UDICOWMBWKQREI-STQMWFEESA-N 1 2 341.908 3.432 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2cnc(Cl)s2)C1 ZINC001191868463 1367621778 /nfs/dbraw/zinc/62/17/78/1367621778.db2.gz UDICOWMBWKQREI-STQMWFEESA-N 1 2 341.908 3.432 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCC1(Nc2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001110303132 1367624455 /nfs/dbraw/zinc/62/44/55/1367624455.db2.gz DDBZLWICGNCSTB-ZFWWWQNUSA-N 1 2 330.476 3.427 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC1(Nc2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001110303129 1367624488 /nfs/dbraw/zinc/62/44/88/1367624488.db2.gz DDBZLWICGNCSTB-DZGCQCFKSA-N 1 2 330.476 3.427 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCC1(Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001110305770 1367626566 /nfs/dbraw/zinc/62/65/66/1367626566.db2.gz MDLQWQQSBNHZGF-CQSZACIVSA-N 1 2 328.460 3.325 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCC1(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001110327518 1367644477 /nfs/dbraw/zinc/64/44/77/1367644477.db2.gz WOTJNSKMPHAJLX-LJQANCHMSA-N 1 2 342.487 3.327 20 30 EGEDLO CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001108942266 1367674883 /nfs/dbraw/zinc/67/48/83/1367674883.db2.gz JRWUGPRZKFPABE-NJAFHUGGSA-N 1 2 329.419 3.109 20 30 EGEDLO CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001108942266 1367674890 /nfs/dbraw/zinc/67/48/90/1367674890.db2.gz JRWUGPRZKFPABE-NJAFHUGGSA-N 1 2 329.419 3.109 20 30 EGEDLO N#Cc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C(F)(F)F)c1 ZINC001192092303 1367685009 /nfs/dbraw/zinc/68/50/09/1367685009.db2.gz YSFMJIVYEQJQGQ-GFCCVEGCSA-N 1 2 348.328 3.320 20 30 EGEDLO Cc1nc(NC2C[C@H]3CCC[C@@H](C2)N3C(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001110416440 1367705933 /nfs/dbraw/zinc/70/59/33/1367705933.db2.gz DDFMHVZLVLZVOQ-ALOPSCKCSA-N 1 2 340.471 3.159 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3csc(CC)n3)C2)CCC1 ZINC001192189966 1367711693 /nfs/dbraw/zinc/71/16/93/1367711693.db2.gz KUHCBBJWLGMTAM-INIZCTEOSA-N 1 2 347.528 3.485 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3csc(CC)n3)C2)CCC1 ZINC001192189966 1367711703 /nfs/dbraw/zinc/71/17/03/1367711703.db2.gz KUHCBBJWLGMTAM-INIZCTEOSA-N 1 2 347.528 3.485 20 30 EGEDLO C=CC1(CC(=O)N[C@H](C)CN(C)c2cc[nH+]c(C)n2)CCCCC1 ZINC001109007783 1367716379 /nfs/dbraw/zinc/71/63/79/1367716379.db2.gz CJJSRWOXMOLPAF-OAHLLOKOSA-N 1 2 330.476 3.253 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccn(C(C)C)n3)C2)CC1 ZINC001192217164 1367720686 /nfs/dbraw/zinc/72/06/86/1367720686.db2.gz CNVWLVZLGRKYOK-SFHVURJKSA-N 1 2 344.503 3.243 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3ccn(C(C)C)n3)C2)CC1 ZINC001192217164 1367720692 /nfs/dbraw/zinc/72/06/92/1367720692.db2.gz CNVWLVZLGRKYOK-SFHVURJKSA-N 1 2 344.503 3.243 20 30 EGEDLO CCC[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109094026 1367764247 /nfs/dbraw/zinc/76/42/47/1367764247.db2.gz OYPXBLMSCIKJRX-VLQPXKRTSA-N 1 2 325.456 3.216 20 30 EGEDLO CCC[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109094026 1367764261 /nfs/dbraw/zinc/76/42/61/1367764261.db2.gz OYPXBLMSCIKJRX-VLQPXKRTSA-N 1 2 325.456 3.216 20 30 EGEDLO C#CCCCC(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C[C@@H]1C ZINC001110513432 1367796048 /nfs/dbraw/zinc/79/60/48/1367796048.db2.gz WXOMZPZJKBFFIA-RDJZCZTQSA-N 1 2 340.471 3.257 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1ccc(F)c(F)c1 ZINC001110538258 1367817651 /nfs/dbraw/zinc/81/76/51/1367817651.db2.gz UIZKXQRYXNTRNJ-LRHNDGHRSA-N 1 2 346.421 3.407 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1ccc(F)c(F)c1 ZINC001110538258 1367817657 /nfs/dbraw/zinc/81/76/57/1367817657.db2.gz UIZKXQRYXNTRNJ-LRHNDGHRSA-N 1 2 346.421 3.407 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001110594215 1367854590 /nfs/dbraw/zinc/85/45/90/1367854590.db2.gz KLSJJTPLUGGZOJ-QRVBRYPASA-N 1 2 343.446 3.211 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1 ZINC001110594215 1367854595 /nfs/dbraw/zinc/85/45/95/1367854595.db2.gz KLSJJTPLUGGZOJ-QRVBRYPASA-N 1 2 343.446 3.211 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NC1(C)CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001110606962 1367870057 /nfs/dbraw/zinc/87/00/57/1367870057.db2.gz WTJBPFVNSIGZBW-KBPBESRZSA-N 1 2 344.503 3.335 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)CC[C@H](C)CC)C1 ZINC001193017294 1367924017 /nfs/dbraw/zinc/92/40/17/1367924017.db2.gz LKTGYOJMGYLWDO-OCCSQVGLSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)CC[C@H](C)CC)C1 ZINC001193017294 1367924018 /nfs/dbraw/zinc/92/40/18/1367924018.db2.gz LKTGYOJMGYLWDO-OCCSQVGLSA-N 1 2 331.298 3.254 20 30 EGEDLO Cc1cc(NC[C@]2(C)CCN(C(=O)C#CC(C)C)C2)nc(C(C)C)[nH+]1 ZINC001110840041 1368021951 /nfs/dbraw/zinc/02/19/51/1368021951.db2.gz FVXDYDAWGVBJIU-FQEVSTJZSA-N 1 2 342.487 3.218 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001110936411 1368107222 /nfs/dbraw/zinc/10/72/22/1368107222.db2.gz MDUGGAAUVYFVST-PILAGYSTSA-N 1 2 331.435 3.045 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1 ZINC001110936411 1368107225 /nfs/dbraw/zinc/10/72/25/1368107225.db2.gz MDUGGAAUVYFVST-PILAGYSTSA-N 1 2 331.435 3.045 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1nc(C)[nH+]c(C)c1C)C2 ZINC001111163451 1368173141 /nfs/dbraw/zinc/17/31/41/1368173141.db2.gz MNZLLTANHWTMLD-ULQDDVLXSA-N 1 2 342.487 3.088 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOc1ccccc1C)C2 ZINC001111401926 1368297152 /nfs/dbraw/zinc/29/71/52/1368297152.db2.gz WSEJVAMTBBBEGA-ZACQAIPSSA-N 1 2 348.874 3.238 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOc1ccccc1C)C2 ZINC001111401926 1368297158 /nfs/dbraw/zinc/29/71/58/1368297158.db2.gz WSEJVAMTBBBEGA-ZACQAIPSSA-N 1 2 348.874 3.238 20 30 EGEDLO CC/C=C(/C)C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001195078707 1368372566 /nfs/dbraw/zinc/37/25/66/1368372566.db2.gz CJJNQQQIPYOINS-WCSRMQSCSA-N 1 2 329.419 3.088 20 30 EGEDLO CC/C=C(/C)C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001195078707 1368372569 /nfs/dbraw/zinc/37/25/69/1368372569.db2.gz CJJNQQQIPYOINS-WCSRMQSCSA-N 1 2 329.419 3.088 20 30 EGEDLO CC[C@@H](C)CC(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001195666692 1368467489 /nfs/dbraw/zinc/46/74/89/1368467489.db2.gz BCNGKNZNBKDPPL-OAHLLOKOSA-N 1 2 331.435 3.168 20 30 EGEDLO CC[C@@H](C)CC(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001195666692 1368467493 /nfs/dbraw/zinc/46/74/93/1368467493.db2.gz BCNGKNZNBKDPPL-OAHLLOKOSA-N 1 2 331.435 3.168 20 30 EGEDLO COc1cc(C[N@@H+]2CCCN(C(=O)C#CC(C)C)CC2)ccc1Cl ZINC001195775259 1368487482 /nfs/dbraw/zinc/48/74/82/1368487482.db2.gz SRYNTQPXKMJDLS-UHFFFAOYSA-N 1 2 348.874 3.042 20 30 EGEDLO COc1cc(C[N@H+]2CCCN(C(=O)C#CC(C)C)CC2)ccc1Cl ZINC001195775259 1368487486 /nfs/dbraw/zinc/48/74/86/1368487486.db2.gz SRYNTQPXKMJDLS-UHFFFAOYSA-N 1 2 348.874 3.042 20 30 EGEDLO C=C(C)[C@H](CC(=O)N1CCC[N@H+](CC=C(Cl)Cl)CC1)OCC ZINC001196024718 1368538390 /nfs/dbraw/zinc/53/83/90/1368538390.db2.gz JVCXUVGWIWQHDH-AWEZNQCLSA-N 1 2 349.302 3.211 20 30 EGEDLO C=C(C)[C@H](CC(=O)N1CCC[N@@H+](CC=C(Cl)Cl)CC1)OCC ZINC001196024718 1368538392 /nfs/dbraw/zinc/53/83/92/1368538392.db2.gz JVCXUVGWIWQHDH-AWEZNQCLSA-N 1 2 349.302 3.211 20 30 EGEDLO CC#CCCCC(=O)N1CCC[N@H+](Cc2cc(O)ccc2Cl)CC1 ZINC001196838578 1368695581 /nfs/dbraw/zinc/69/55/81/1368695581.db2.gz IWNOTZLHVMSCDR-UHFFFAOYSA-N 1 2 348.874 3.274 20 30 EGEDLO CC#CCCCC(=O)N1CCC[N@@H+](Cc2cc(O)ccc2Cl)CC1 ZINC001196838578 1368695583 /nfs/dbraw/zinc/69/55/83/1368695583.db2.gz IWNOTZLHVMSCDR-UHFFFAOYSA-N 1 2 348.874 3.274 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001196853103 1368699380 /nfs/dbraw/zinc/69/93/80/1368699380.db2.gz GZSMEOWBUMDUBD-JKSUJKDBSA-N 1 2 343.446 3.190 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001196853103 1368699384 /nfs/dbraw/zinc/69/93/84/1368699384.db2.gz GZSMEOWBUMDUBD-JKSUJKDBSA-N 1 2 343.446 3.190 20 30 EGEDLO C=CCCCC(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001196984376 1368726350 /nfs/dbraw/zinc/72/63/50/1368726350.db2.gz BZJOLDOHZBBBOY-UHFFFAOYSA-N 1 2 329.419 3.088 20 30 EGEDLO C=CCCCC(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001196984376 1368726353 /nfs/dbraw/zinc/72/63/53/1368726353.db2.gz BZJOLDOHZBBBOY-UHFFFAOYSA-N 1 2 329.419 3.088 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001112384261 1368812627 /nfs/dbraw/zinc/81/26/27/1368812627.db2.gz IOVXJOIDICDWRF-KXBFYZLASA-N 1 2 330.476 3.108 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001112433266 1368848739 /nfs/dbraw/zinc/84/87/39/1368848739.db2.gz ILPLVIAPLQMYQA-DYVFJYSZSA-N 1 2 330.476 3.089 20 30 EGEDLO C#CCCCCC(=O)N1CC[NH+]([C@@H]2CCc3c2cccc3F)CC1 ZINC001112775211 1368995835 /nfs/dbraw/zinc/99/58/35/1368995835.db2.gz KNNNQVGLZYXPDI-LJQANCHMSA-N 1 2 328.431 3.151 20 30 EGEDLO CC(C)c1cc(NCC2CC(NC(=O)[C@@H](C)C#N)C2)nc(C(C)C)[nH+]1 ZINC001112829142 1369032679 /nfs/dbraw/zinc/03/26/79/1369032679.db2.gz VHZYGQFKDTWZSY-NFOMZHRRSA-N 1 2 343.475 3.190 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)CCC1CC1)c1ccccc1OC ZINC001198628605 1369076562 /nfs/dbraw/zinc/07/65/62/1369076562.db2.gz UMYRXSRQPCGJMW-INIZCTEOSA-N 1 2 336.863 3.385 20 30 EGEDLO C=C(C)CCC(=O)N1CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC001112902344 1369081150 /nfs/dbraw/zinc/08/11/50/1369081150.db2.gz MQCSEXAONCMAOC-UHFFFAOYSA-N 1 2 328.456 3.228 20 30 EGEDLO C#CCC1(C(=O)N2CC[NH+](Cc3cc4ccccc4o3)CC2)CCC1 ZINC001112953360 1369107444 /nfs/dbraw/zinc/10/74/44/1369107444.db2.gz SSCATWAEFMCZEW-UHFFFAOYSA-N 1 2 336.435 3.271 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)CCC(F)F)c1ccccc1OC ZINC001198797157 1369117108 /nfs/dbraw/zinc/11/71/08/1369117108.db2.gz QOQBWIIVZAQJCR-CYBMUJFWSA-N 1 2 346.805 3.240 20 30 EGEDLO Cc1cc(N[C@@H](C)[C@H](C)NC(=O)C#CC(C)(C)C)nc(C(C)C)[nH+]1 ZINC001113003673 1369131166 /nfs/dbraw/zinc/13/11/66/1369131166.db2.gz FKZFYUXXEQNAFB-GJZGRUSLSA-N 1 2 330.476 3.263 20 30 EGEDLO C#CCCCCCC(=O)N1CC[NH+](CCOc2cccc(C)c2)CC1 ZINC001113205033 1369260674 /nfs/dbraw/zinc/26/06/74/1369260674.db2.gz IFYJMXMKTPFDCP-UHFFFAOYSA-N 1 2 342.483 3.102 20 30 EGEDLO CC#CCCCC(=O)N1CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC001113232535 1369280393 /nfs/dbraw/zinc/28/03/93/1369280393.db2.gz TXOAXKLYMUWKNF-UHFFFAOYSA-N 1 2 348.874 3.057 20 30 EGEDLO CC#CCCCC(=O)N1CC[NH+](CCOc2cc(C)cc(C)c2)CC1 ZINC001113234635 1369281795 /nfs/dbraw/zinc/28/17/95/1369281795.db2.gz FLZCPXAMFBDDRA-UHFFFAOYSA-N 1 2 342.483 3.020 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[NH+](CCOc2cccc(C)c2)CC1 ZINC001113239768 1369287079 /nfs/dbraw/zinc/28/70/79/1369287079.db2.gz QURLBLUURCYIKL-GOSISDBHSA-N 1 2 330.472 3.120 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](CCOc2cccc(CC)c2)CC1 ZINC001113244151 1369288086 /nfs/dbraw/zinc/28/80/86/1369288086.db2.gz UZPJLKNMSPIWEO-SFHVURJKSA-N 1 2 344.499 3.374 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC001113248405 1369290724 /nfs/dbraw/zinc/29/07/24/1369290724.db2.gz YKILGBJNGZQFEB-ZIAGYGMSSA-N 1 2 333.303 3.317 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H](C)[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001113255817 1369295190 /nfs/dbraw/zinc/29/51/90/1369295190.db2.gz MVPKLKJOFMXZKA-OLZOCXBDSA-N 1 2 330.476 3.181 20 30 EGEDLO Cc1cc(NC2CCC(N(C)C(=O)[C@H](C)C#N)CC2)nc(C2CC2)[nH+]1 ZINC001113381982 1369382531 /nfs/dbraw/zinc/38/25/31/1369382531.db2.gz LWUMPEBWJZYBPU-UWTIGNOOSA-N 1 2 341.459 3.004 20 30 EGEDLO C=CC[C@H](C(=O)NC[C@H](C)N(C)c1cc[nH+]c(C)n1)c1ccccc1 ZINC001113625371 1369526765 /nfs/dbraw/zinc/52/67/65/1369526765.db2.gz GWVRNMDDENYCOY-YJBOKZPZSA-N 1 2 338.455 3.086 20 30 EGEDLO C#CCC1(C(=O)N2CC[NH+](CCOCCC(C)C)CC2)CCCCC1 ZINC001113703711 1369576856 /nfs/dbraw/zinc/57/68/56/1369576856.db2.gz IOEMGZVFRSAWPT-UHFFFAOYSA-N 1 2 348.531 3.167 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccc(OC)cc3)CC2)CCCC1 ZINC001113744738 1369599021 /nfs/dbraw/zinc/59/90/21/1369599021.db2.gz MFLZDCDOSSSTIG-UHFFFAOYSA-N 1 2 342.483 3.476 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001113851668 1369633640 /nfs/dbraw/zinc/63/36/40/1369633640.db2.gz OMLQKYWKKKBRQP-KXBFYZLASA-N 1 2 332.492 3.452 20 30 EGEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(C4CCCC4)n3)C[C@H]21 ZINC001114001646 1369680982 /nfs/dbraw/zinc/68/09/82/1369680982.db2.gz GGLNIXXRPWGTRX-VQFNDLOPSA-N 1 2 345.512 3.313 20 30 EGEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(C4CCCC4)n3)C[C@H]21 ZINC001114001646 1369680986 /nfs/dbraw/zinc/68/09/86/1369680986.db2.gz GGLNIXXRPWGTRX-VQFNDLOPSA-N 1 2 345.512 3.313 20 30 EGEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001114026069 1369690453 /nfs/dbraw/zinc/69/04/53/1369690453.db2.gz VOOQIDKONHQVDS-SZOQZIPDSA-N 1 2 331.460 3.046 20 30 EGEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001114026069 1369690456 /nfs/dbraw/zinc/69/04/56/1369690456.db2.gz VOOQIDKONHQVDS-SZOQZIPDSA-N 1 2 331.460 3.046 20 30 EGEDLO C=CCOCCCC(=O)N(C)CC[C@H](Nc1cc[nH+]c(C)n1)C(C)C ZINC001114082834 1369723867 /nfs/dbraw/zinc/72/38/67/1369723867.db2.gz OESORFHIPSHJNW-KRWDZBQOSA-N 1 2 348.491 3.053 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N(C)CC[C@@H](Nc1cc[nH+]c(C)n1)C(C)C ZINC001114090132 1369729291 /nfs/dbraw/zinc/72/92/91/1369729291.db2.gz YTIUHNFZAWVYQK-NVXWUHKLSA-N 1 2 348.491 3.051 20 30 EGEDLO C=CCCC(=O)N1C[C@H](CNc2nc(C)[nH+]c3c2CCCC3)C[C@@H]1C ZINC001114674871 1370019411 /nfs/dbraw/zinc/01/94/11/1370019411.db2.gz PIGUVYWJXDOEHP-HOCLYGCPSA-N 1 2 342.487 3.279 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)C(C)(C)C ZINC001114688949 1370025951 /nfs/dbraw/zinc/02/59/51/1370025951.db2.gz BFYZRAZYOOBHTB-ITGUQSILSA-N 1 2 343.309 3.014 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)C(C)(C)C ZINC001114688949 1370025956 /nfs/dbraw/zinc/02/59/56/1370025956.db2.gz BFYZRAZYOOBHTB-ITGUQSILSA-N 1 2 343.309 3.014 20 30 EGEDLO CC/C=C(\C)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187093488 1388049588 /nfs/dbraw/zinc/04/95/88/1388049588.db2.gz UDLGTEGIWRWHTH-CUXBXPMKSA-N 1 2 341.430 3.086 20 30 EGEDLO CC/C=C(\C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187093488 1388049593 /nfs/dbraw/zinc/04/95/93/1388049593.db2.gz UDLGTEGIWRWHTH-CUXBXPMKSA-N 1 2 341.430 3.086 20 30 EGEDLO C=CCCOCCCCC(=O)N[C@H](C)CCCNc1cc[nH+]c(C)n1 ZINC001115001990 1370203688 /nfs/dbraw/zinc/20/36/88/1370203688.db2.gz KWQCNOWLRSUVGR-MRXNPFEDSA-N 1 2 348.491 3.245 20 30 EGEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1Cc1ccc(C)cc1C ZINC001203731904 1370239230 /nfs/dbraw/zinc/23/92/30/1370239230.db2.gz NEOJRKAHOZBXHI-IBGZPJMESA-N 1 2 340.471 3.217 20 30 EGEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1Cc1ccc(C)cc1C ZINC001203731904 1370239234 /nfs/dbraw/zinc/23/92/34/1370239234.db2.gz NEOJRKAHOZBXHI-IBGZPJMESA-N 1 2 340.471 3.217 20 30 EGEDLO CC(C)(C)OC(=O)N1CCCC12C[NH+](Cc1cccc(C#N)c1)C2 ZINC001203757014 1370251240 /nfs/dbraw/zinc/25/12/40/1370251240.db2.gz GKTRTDDZFMMGKA-UHFFFAOYSA-N 1 2 327.428 3.144 20 30 EGEDLO C=CC(C)(C)C(=O)NCCOCCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001115434438 1370451516 /nfs/dbraw/zinc/45/15/16/1370451516.db2.gz ZVMMYSMLKCXXDI-UHFFFAOYSA-N 1 2 348.491 3.055 20 30 EGEDLO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1C#N ZINC001204366390 1370454299 /nfs/dbraw/zinc/45/42/99/1370454299.db2.gz FYTGEMDTOQQPCP-OAHLLOKOSA-N 1 2 329.444 3.390 20 30 EGEDLO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1C#N ZINC001204366390 1370454304 /nfs/dbraw/zinc/45/43/04/1370454304.db2.gz FYTGEMDTOQQPCP-OAHLLOKOSA-N 1 2 329.444 3.390 20 30 EGEDLO C=C(Cl)C[NH2+]C1(CNC(=O)C(F)C(F)(F)F)CCCCC1 ZINC001115546262 1370543338 /nfs/dbraw/zinc/54/33/38/1370543338.db2.gz IODDPJHJCOAKOV-JTQLQIEISA-N 1 2 330.753 3.048 20 30 EGEDLO C=C(Cl)C[NH2+]C1(CNC(=O)[C@H](F)C(F)(F)F)CCCCC1 ZINC001115546262 1370543345 /nfs/dbraw/zinc/54/33/45/1370543345.db2.gz IODDPJHJCOAKOV-JTQLQIEISA-N 1 2 330.753 3.048 20 30 EGEDLO Cc1cc(F)ccc1N1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001205496895 1370772445 /nfs/dbraw/zinc/77/24/45/1370772445.db2.gz XZFNDZVTPBZDLR-UHFFFAOYSA-N 1 2 327.378 3.467 20 30 EGEDLO COc1ccc(N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)c(C)c1 ZINC001205502329 1370774182 /nfs/dbraw/zinc/77/41/82/1370774182.db2.gz QKXVMKDWQCWKEO-UHFFFAOYSA-N 1 2 339.414 3.337 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nc(C)no2)C1 ZINC001187340771 1388097096 /nfs/dbraw/zinc/09/70/96/1388097096.db2.gz FYYAQEWRPUZUMG-GDBMZVCRSA-N 1 2 336.480 3.380 20 30 EGEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc(CC#N)c(F)c1 ZINC001206511097 1371078233 /nfs/dbraw/zinc/07/82/33/1371078233.db2.gz WBANQFZTKURYEG-UHFFFAOYSA-N 1 2 340.398 3.400 20 30 EGEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)/C=C/C1CC1 ZINC001206791342 1371168366 /nfs/dbraw/zinc/16/83/66/1371168366.db2.gz UXDOWJJLWNPXNF-BTIBXDGFSA-N 1 2 342.870 3.094 20 30 EGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)/C=C/C1CC1 ZINC001206791342 1371168373 /nfs/dbraw/zinc/16/83/73/1371168373.db2.gz UXDOWJJLWNPXNF-BTIBXDGFSA-N 1 2 342.870 3.094 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2csc(CCCC)n2)C[C@H]1C ZINC001206912605 1371221571 /nfs/dbraw/zinc/22/15/71/1371221571.db2.gz UOBSTFXLMBRCOC-NVXWUHKLSA-N 1 2 347.528 3.226 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2csc(CCCC)n2)C[C@H]1C ZINC001206912605 1371221573 /nfs/dbraw/zinc/22/15/73/1371221573.db2.gz UOBSTFXLMBRCOC-NVXWUHKLSA-N 1 2 347.528 3.226 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](Cc2ccncc2Cl)C[C@H]1C ZINC001207093512 1371291572 /nfs/dbraw/zinc/29/15/72/1371291572.db2.gz JLPBBDWCSKEWFC-RDTXWAMCSA-N 1 2 347.890 3.440 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](Cc2ccncc2Cl)C[C@H]1C ZINC001207093512 1371291577 /nfs/dbraw/zinc/29/15/77/1371291577.db2.gz JLPBBDWCSKEWFC-RDTXWAMCSA-N 1 2 347.890 3.440 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2ncc(C(C)C)o2)C[C@H]1C ZINC001207172076 1371319057 /nfs/dbraw/zinc/31/90/57/1371319057.db2.gz ONSVNYCXZWAHTI-HUUCEWRRSA-N 1 2 333.476 3.337 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C(C)C)o2)C[C@H]1C ZINC001207172076 1371319063 /nfs/dbraw/zinc/31/90/63/1371319063.db2.gz ONSVNYCXZWAHTI-HUUCEWRRSA-N 1 2 333.476 3.337 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nc(C(C)C)no2)C1 ZINC001208260813 1371688812 /nfs/dbraw/zinc/68/88/12/1371688812.db2.gz FZWMFCSAHMKGPH-GJZGRUSLSA-N 1 2 334.464 3.191 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@H]([NH2+][C@H](C)c2nc(CCCC)no2)C1 ZINC001208261284 1371689285 /nfs/dbraw/zinc/68/92/85/1371689285.db2.gz MFPPHXTVNTURMY-CVEARBPZSA-N 1 2 348.491 3.410 20 30 EGEDLO C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)C(F)C(F)(F)F)C2)C1 ZINC001121144928 1371866206 /nfs/dbraw/zinc/86/62/06/1371866206.db2.gz QBWBVNNMJUNWHL-ZPRJYXRKSA-N 1 2 336.373 3.259 20 30 EGEDLO C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001121144928 1371866208 /nfs/dbraw/zinc/86/62/08/1371866208.db2.gz QBWBVNNMJUNWHL-ZPRJYXRKSA-N 1 2 336.373 3.259 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001208963476 1371963336 /nfs/dbraw/zinc/96/33/36/1371963336.db2.gz LXCLLWPTVLHISK-UKRRQHHQSA-N 1 2 335.879 3.274 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001208963476 1371963339 /nfs/dbraw/zinc/96/33/39/1371963339.db2.gz LXCLLWPTVLHISK-UKRRQHHQSA-N 1 2 335.879 3.274 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC001209344432 1372072796 /nfs/dbraw/zinc/07/27/96/1372072796.db2.gz DUBNHERBBZFTJO-HUUCEWRRSA-N 1 2 348.491 3.365 20 30 EGEDLO CC(C)(C#N)c1ccc(Nc2ccccc2C[NH+]2CCOCC2)cn1 ZINC001209926058 1372231805 /nfs/dbraw/zinc/23/18/05/1372231805.db2.gz MREVPTFFJPEWBL-UHFFFAOYSA-N 1 2 336.439 3.459 20 30 EGEDLO N#C[C@@H]1C[NH2+]CCN1Cc1c(Br)ccc(Cl)c1Cl ZINC001210120891 1372275103 /nfs/dbraw/zinc/27/51/03/1372275103.db2.gz IFAPZZVGSPKFCM-MRVPVSSYSA-N 1 2 349.059 3.053 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)CC(F)(F)F)C1 ZINC001210356943 1372331110 /nfs/dbraw/zinc/33/11/10/1372331110.db2.gz RWDJTOWLLYHOLU-YUSALJHKSA-N 1 2 326.790 3.154 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)CC(F)(F)F)C1 ZINC001210356943 1372331116 /nfs/dbraw/zinc/33/11/16/1372331116.db2.gz RWDJTOWLLYHOLU-YUSALJHKSA-N 1 2 326.790 3.154 20 30 EGEDLO C#CCCCCC(=O)N1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C[C@@H]1C ZINC001123205359 1372397129 /nfs/dbraw/zinc/39/71/29/1372397129.db2.gz ZQPVDIZCGCFMHT-RDJZCZTQSA-N 1 2 340.471 3.257 20 30 EGEDLO C=CC1CCN(c2nnc([C@H]3CCCC[N@H+]3C)n2CC2CC2)CC1 ZINC001123485796 1372486170 /nfs/dbraw/zinc/48/61/70/1372486170.db2.gz QITMMMPOJIFPRO-QGZVFWFLSA-N 1 2 329.492 3.247 20 30 EGEDLO C=CC1CCN(c2nnc([C@H]3CCCC[N@@H+]3C)n2CC2CC2)CC1 ZINC001123485796 1372486171 /nfs/dbraw/zinc/48/61/71/1372486171.db2.gz QITMMMPOJIFPRO-QGZVFWFLSA-N 1 2 329.492 3.247 20 30 EGEDLO Cc1cc(N2CCC[C@@H](NC(=O)C#CC(C)C)[C@@H]2C)nc(C(C)C)[nH+]1 ZINC001123568510 1372509769 /nfs/dbraw/zinc/50/97/69/1372509769.db2.gz DTQYRAVDCQBEKK-DLBZAZTESA-N 1 2 342.487 3.041 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@H]1C ZINC001123655553 1372544232 /nfs/dbraw/zinc/54/42/32/1372544232.db2.gz YFDWUIHRLCPAOE-RDJZCZTQSA-N 1 2 344.503 3.478 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001123867454 1372612264 /nfs/dbraw/zinc/61/22/64/1372612264.db2.gz RIQUJTUYVGQKCD-DLBZAZTESA-N 1 2 328.460 3.066 20 30 EGEDLO C=CCCC(=O)N1C[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C(C)(C)C1 ZINC001123907533 1372623308 /nfs/dbraw/zinc/62/33/08/1372623308.db2.gz FYAFVVNDMMKAFD-QGZVFWFLSA-N 1 2 342.487 3.279 20 30 EGEDLO Cc1ncc(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)cc1C#N ZINC001213092383 1372838358 /nfs/dbraw/zinc/83/83/58/1372838358.db2.gz PVJFSFQQAZFQDD-UHFFFAOYSA-N 1 2 328.335 3.164 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H](C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001126669329 1372995546 /nfs/dbraw/zinc/99/55/46/1372995546.db2.gz YGXRXAHROMCMBA-ZBFHGGJFSA-N 1 2 330.476 3.108 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001188081016 1388237457 /nfs/dbraw/zinc/23/74/57/1388237457.db2.gz ULYUTPPWEFCQJF-QFBILLFUSA-N 1 2 341.430 3.086 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001188081016 1388237461 /nfs/dbraw/zinc/23/74/61/1388237461.db2.gz ULYUTPPWEFCQJF-QFBILLFUSA-N 1 2 341.430 3.086 20 30 EGEDLO C=CCCCC(=O)N(C)CCOCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001127447621 1373128522 /nfs/dbraw/zinc/12/85/22/1373128522.db2.gz OODWZZHUTZEXSC-UHFFFAOYSA-N 1 2 348.491 3.152 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@H](C)C3CC3)c2C1 ZINC001128290109 1373246534 /nfs/dbraw/zinc/24/65/34/1373246534.db2.gz NTGAMYVADIIYAG-MRXNPFEDSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@H](C)C3CC3)c2C1 ZINC001128290109 1373246536 /nfs/dbraw/zinc/24/65/36/1373246536.db2.gz NTGAMYVADIIYAG-MRXNPFEDSA-N 1 2 344.503 3.107 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCc1cnn2c1C[N@H+](CC/C=C/CC)CC2 ZINC001128431921 1373265904 /nfs/dbraw/zinc/26/59/04/1373265904.db2.gz OARKUUJODDLMJL-BQYQJAHWSA-N 1 2 344.503 3.274 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCc1cnn2c1C[N@@H+](CC/C=C/CC)CC2 ZINC001128431921 1373265909 /nfs/dbraw/zinc/26/59/09/1373265909.db2.gz OARKUUJODDLMJL-BQYQJAHWSA-N 1 2 344.503 3.274 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCc1cnn2c1C[N@H+](CC/C=C/CC)CC2 ZINC001128448513 1373268983 /nfs/dbraw/zinc/26/89/83/1373268983.db2.gz PMBSIPJJJCROPA-FNQZAJIHSA-N 1 2 344.503 3.129 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCc1cnn2c1C[N@@H+](CC/C=C/CC)CC2 ZINC001128448513 1373268984 /nfs/dbraw/zinc/26/89/84/1373268984.db2.gz PMBSIPJJJCROPA-FNQZAJIHSA-N 1 2 344.503 3.129 20 30 EGEDLO C[C@@H](CC(=O)Nc1ccc(Br)c(C#N)c1)n1cc[nH+]c1 ZINC001129359094 1373374697 /nfs/dbraw/zinc/37/46/97/1373374697.db2.gz OGOCMFDLKXLNBX-JTQLQIEISA-N 1 2 333.189 3.107 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3nnc(CC)o3)C2)CCCC1 ZINC001188490659 1388318251 /nfs/dbraw/zinc/31/82/51/1388318251.db2.gz WAQRPHHSFZKXGJ-HUUCEWRRSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)/C=C(/C)C2CC2)CC[C@@H]1C ZINC001131903956 1375037869 /nfs/dbraw/zinc/03/78/69/1375037869.db2.gz MEPRLGNSEDKURY-IYEDRLCXSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)/C=C(/C)C2CC2)CC[C@@H]1C ZINC001131903956 1375037872 /nfs/dbraw/zinc/03/78/72/1375037872.db2.gz MEPRLGNSEDKURY-IYEDRLCXSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)/C=C(\C)C2CC2)CC[C@H]1C ZINC001131903951 1375038541 /nfs/dbraw/zinc/03/85/41/1375038541.db2.gz MEPRLGNSEDKURY-FQVLRVHISA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)/C=C(\C)C2CC2)CC[C@H]1C ZINC001131903951 1375038545 /nfs/dbraw/zinc/03/85/45/1375038545.db2.gz MEPRLGNSEDKURY-FQVLRVHISA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)/C(C)=C/CC)CC[C@@H]1C ZINC001131917416 1375045737 /nfs/dbraw/zinc/04/57/37/1375045737.db2.gz GUOCEGDGCPIURB-QWAJQTJBSA-N 1 2 329.282 3.220 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)/C(C)=C/CC)CC[C@@H]1C ZINC001131917416 1375045738 /nfs/dbraw/zinc/04/57/38/1375045738.db2.gz GUOCEGDGCPIURB-QWAJQTJBSA-N 1 2 329.282 3.220 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2csc(C)n2)C1 ZINC001131976192 1375079965 /nfs/dbraw/zinc/07/99/65/1375079965.db2.gz IFGGKEYMRAPPIS-ZBFHGGJFSA-N 1 2 333.501 3.114 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2csc(C)n2)C1 ZINC001131976192 1375079969 /nfs/dbraw/zinc/07/99/69/1375079969.db2.gz IFGGKEYMRAPPIS-ZBFHGGJFSA-N 1 2 333.501 3.114 20 30 EGEDLO C=CCCOCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=C)Cl)C1 ZINC001132037852 1375111033 /nfs/dbraw/zinc/11/10/33/1375111033.db2.gz IZWUFRGFBWOJCK-IAGOWNOFSA-N 1 2 342.911 3.471 20 30 EGEDLO C=CCCOCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=C)Cl)C1 ZINC001132037852 1375111038 /nfs/dbraw/zinc/11/10/38/1375111038.db2.gz IZWUFRGFBWOJCK-IAGOWNOFSA-N 1 2 342.911 3.471 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2csc(C)n2)C1 ZINC001132223619 1375221099 /nfs/dbraw/zinc/22/10/99/1375221099.db2.gz GETSUYVYHRWYQN-ZBFHGGJFSA-N 1 2 333.501 3.114 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2csc(C)n2)C1 ZINC001132223619 1375221104 /nfs/dbraw/zinc/22/11/04/1375221104.db2.gz GETSUYVYHRWYQN-ZBFHGGJFSA-N 1 2 333.501 3.114 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3cncc(F)c3)C2)CCC1 ZINC001132282930 1375265327 /nfs/dbraw/zinc/26/53/27/1375265327.db2.gz OUVAYYNHVDJQEG-QAPCUYQASA-N 1 2 345.462 3.436 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3cncc(F)c3)C2)CCC1 ZINC001132282930 1375265333 /nfs/dbraw/zinc/26/53/33/1375265333.db2.gz OUVAYYNHVDJQEG-QAPCUYQASA-N 1 2 345.462 3.436 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3ccn(CC)n3)C2)CCC1 ZINC001132282550 1375265679 /nfs/dbraw/zinc/26/56/79/1375265679.db2.gz KTOYDRUBJDFGQG-IRXDYDNUSA-N 1 2 344.503 3.119 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3ccn(CC)n3)C2)CCC1 ZINC001132282550 1375265683 /nfs/dbraw/zinc/26/56/83/1375265683.db2.gz KTOYDRUBJDFGQG-IRXDYDNUSA-N 1 2 344.503 3.119 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cncc(F)c2)C1 ZINC001132330361 1375310461 /nfs/dbraw/zinc/31/04/61/1375310461.db2.gz GGNRZCRXEAZSSD-WMLDXEAASA-N 1 2 333.451 3.292 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cncc(F)c2)C1 ZINC001132330361 1375310468 /nfs/dbraw/zinc/31/04/68/1375310468.db2.gz GGNRZCRXEAZSSD-WMLDXEAASA-N 1 2 333.451 3.292 20 30 EGEDLO CCCCc1nc(C[NH+]2CCC(NC(=O)C#CC(C)C)CC2)cs1 ZINC001227265525 1375414550 /nfs/dbraw/zinc/41/45/50/1375414550.db2.gz KLLFBNVVDWCKJE-UHFFFAOYSA-N 1 2 347.528 3.226 20 30 EGEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(Cl)cc(OC(F)(F)F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227866053 1375484278 /nfs/dbraw/zinc/48/42/78/1375484278.db2.gz HFSJVTSZRXODMK-VSSGSJIUSA-N 1 2 349.736 3.230 20 30 EGEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(Cl)cc(OC(F)(F)F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227866053 1375484281 /nfs/dbraw/zinc/48/42/81/1375484281.db2.gz HFSJVTSZRXODMK-VSSGSJIUSA-N 1 2 349.736 3.230 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NC1CC[NH+](Cc2nc3c(o2)CCCC3)CC1 ZINC001228747566 1375660797 /nfs/dbraw/zinc/66/07/97/1375660797.db2.gz CPLAAWPCVREGKF-GJZGRUSLSA-N 1 2 345.487 3.092 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2ccc3c(n2)CCCC3=O)C1 ZINC001228753001 1375665426 /nfs/dbraw/zinc/66/54/26/1375665426.db2.gz UKUKMNQJTDJBCX-KRWDZBQOSA-N 1 2 347.418 3.126 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2ccc3c(n2)CCCC3=O)C1 ZINC001228753001 1375665434 /nfs/dbraw/zinc/66/54/34/1375665434.db2.gz UKUKMNQJTDJBCX-KRWDZBQOSA-N 1 2 347.418 3.126 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC1CC[NH+]([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC001228810579 1375685653 /nfs/dbraw/zinc/68/56/53/1375685653.db2.gz XKUTVQDWXYRJAA-KBPBESRZSA-N 1 2 346.475 3.191 20 30 EGEDLO CCC(C)(C)C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001228935322 1375720681 /nfs/dbraw/zinc/72/06/81/1375720681.db2.gz OFXVRHUHKYMOKE-UHFFFAOYSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001229015858 1375738364 /nfs/dbraw/zinc/73/83/64/1375738364.db2.gz BSLIVQSRCNNJOW-LJQANCHMSA-N 1 2 331.460 3.235 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC1CC[NH+]([C@H](C)c2nc(C(C)C)no2)CC1 ZINC001229015896 1375738974 /nfs/dbraw/zinc/73/89/74/1375738974.db2.gz CVKIHJBJDFNYAQ-AUUYWEPGSA-N 1 2 348.491 3.437 20 30 EGEDLO Cc1nc(O[C@H]2CCOC[C@H]2C)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229767770 1375889598 /nfs/dbraw/zinc/88/95/98/1375889598.db2.gz GXTZVCWBWRRZTR-ACJLOTCBSA-N 1 2 348.406 3.380 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F)C(=O)CC1CCCC1 ZINC001230654646 1376117735 /nfs/dbraw/zinc/11/77/35/1376117735.db2.gz RPNHHSCXSMYFNI-SFHVURJKSA-N 1 2 343.446 3.310 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1F)C(=O)CC1CCCC1 ZINC001230654646 1376117740 /nfs/dbraw/zinc/11/77/40/1376117740.db2.gz RPNHHSCXSMYFNI-SFHVURJKSA-N 1 2 343.446 3.310 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F)C(=O)/C=C/C(C)(C)C ZINC001231285213 1376221217 /nfs/dbraw/zinc/22/12/17/1376221217.db2.gz ZMFYDAYLGAOHON-UGAXZCSASA-N 1 2 343.446 3.332 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1cc(C#N)ccc1F)C(=O)/C=C/C(C)(C)C ZINC001231285213 1376221223 /nfs/dbraw/zinc/22/12/23/1376221223.db2.gz ZMFYDAYLGAOHON-UGAXZCSASA-N 1 2 343.446 3.332 20 30 EGEDLO N#Cc1ccc(C[NH+]2CC3(CN(c4ccccc4)C3=O)C2)cc1Cl ZINC001232115379 1376401654 /nfs/dbraw/zinc/40/16/54/1376401654.db2.gz NECCUPXAPXHZTE-UHFFFAOYSA-N 1 2 337.810 3.060 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)cc1Cl ZINC001232120730 1376405120 /nfs/dbraw/zinc/40/51/20/1376405120.db2.gz XXDZVJUQLTVSRY-QGZVFWFLSA-N 1 2 331.847 3.189 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCCC2)cc1Cl ZINC001232120730 1376405124 /nfs/dbraw/zinc/40/51/24/1376405124.db2.gz XXDZVJUQLTVSRY-QGZVFWFLSA-N 1 2 331.847 3.189 20 30 EGEDLO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232674587 1376499552 /nfs/dbraw/zinc/49/95/52/1376499552.db2.gz BREOMCNOPYESJV-UHFFFAOYSA-N 1 2 345.443 3.001 20 30 EGEDLO CC[N@H+](Cc1cc(C#N)ccc1O)[C@H]1CCN(Cc2ccccc2)C1 ZINC001232678480 1376500911 /nfs/dbraw/zinc/50/09/11/1376500911.db2.gz HCISTRVZUPWFKK-FQEVSTJZSA-N 1 2 335.451 3.360 20 30 EGEDLO CC[N@@H+](Cc1cc(C#N)ccc1O)[C@H]1CCN(Cc2ccccc2)C1 ZINC001232678480 1376500913 /nfs/dbraw/zinc/50/09/13/1376500913.db2.gz HCISTRVZUPWFKK-FQEVSTJZSA-N 1 2 335.451 3.360 20 30 EGEDLO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(F)ccc2C#N)O1 ZINC001232890826 1376534150 /nfs/dbraw/zinc/53/41/50/1376534150.db2.gz BAONBTPHYNISIX-VAMGGRTRSA-N 1 2 346.446 3.492 20 30 EGEDLO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(F)ccc2C#N)O1 ZINC001232890826 1376534153 /nfs/dbraw/zinc/53/41/53/1376534153.db2.gz BAONBTPHYNISIX-VAMGGRTRSA-N 1 2 346.446 3.492 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 ZINC001232891521 1376534789 /nfs/dbraw/zinc/53/47/89/1376534789.db2.gz MWGHXKBTKDIXIN-WOJBJXKFSA-N 1 2 349.409 3.467 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 ZINC001232891521 1376534807 /nfs/dbraw/zinc/53/48/07/1376534807.db2.gz MWGHXKBTKDIXIN-WOJBJXKFSA-N 1 2 349.409 3.467 20 30 EGEDLO Cc1ccc(C[N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)c(C#N)c1 ZINC001232964294 1376548422 /nfs/dbraw/zinc/54/84/22/1376548422.db2.gz UYOZMKSBUDKUFX-WMZOPIPTSA-N 1 2 341.455 3.308 20 30 EGEDLO Cc1ccc(C[N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)c(C#N)c1 ZINC001232964294 1376548432 /nfs/dbraw/zinc/54/84/32/1376548432.db2.gz UYOZMKSBUDKUFX-WMZOPIPTSA-N 1 2 341.455 3.308 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCNC(=O)CC1CCCCC1 ZINC001233648354 1376692116 /nfs/dbraw/zinc/69/21/16/1376692116.db2.gz NVKSNFGLASLEAA-UHFFFAOYSA-N 1 2 331.298 3.304 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCNC(=O)CC1CCCCC1 ZINC001233648354 1376692121 /nfs/dbraw/zinc/69/21/21/1376692121.db2.gz NVKSNFGLASLEAA-UHFFFAOYSA-N 1 2 331.298 3.304 20 30 EGEDLO C#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3cnc(Cl)s3)C2)nc1 ZINC001233966024 1376745796 /nfs/dbraw/zinc/74/57/96/1376745796.db2.gz PGPAIYWZHZIFHF-CYBMUJFWSA-N 1 2 333.844 3.216 20 30 EGEDLO C#Cc1ccc(O[C@@H]2CCC[N@H+](Cc3cnc(Cl)s3)C2)nc1 ZINC001233966024 1376745798 /nfs/dbraw/zinc/74/57/98/1376745798.db2.gz PGPAIYWZHZIFHF-CYBMUJFWSA-N 1 2 333.844 3.216 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)CC(C)(C)C1CC1 ZINC001234112760 1376768276 /nfs/dbraw/zinc/76/82/76/1376768276.db2.gz TZDIKSLSWNCEGR-OAHLLOKOSA-N 1 2 345.512 3.479 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)CC(C)(C)C1CC1 ZINC001234112760 1376768283 /nfs/dbraw/zinc/76/82/83/1376768283.db2.gz TZDIKSLSWNCEGR-OAHLLOKOSA-N 1 2 345.512 3.479 20 30 EGEDLO CC(C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)=C1CCC1 ZINC001234152654 1376778145 /nfs/dbraw/zinc/77/81/45/1376778145.db2.gz XAJSLIVOKSVXQN-OAHLLOKOSA-N 1 2 329.469 3.153 20 30 EGEDLO CC(C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)=C1CCC1 ZINC001234152654 1376778148 /nfs/dbraw/zinc/77/81/48/1376778148.db2.gz XAJSLIVOKSVXQN-OAHLLOKOSA-N 1 2 329.469 3.153 20 30 EGEDLO CC(C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1)=C1CCC1 ZINC001234151050 1376778289 /nfs/dbraw/zinc/77/82/89/1376778289.db2.gz LVJDCVQEJWRNDD-SFHVURJKSA-N 1 2 341.430 3.230 20 30 EGEDLO CC(C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1)=C1CCC1 ZINC001234151050 1376778291 /nfs/dbraw/zinc/77/82/91/1376778291.db2.gz LVJDCVQEJWRNDD-SFHVURJKSA-N 1 2 341.430 3.230 20 30 EGEDLO CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234196311 1376784243 /nfs/dbraw/zinc/78/42/43/1376784243.db2.gz RDSUZRKQYJAOAZ-APWZRJJASA-N 1 2 346.421 3.362 20 30 EGEDLO CC[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234196311 1376784245 /nfs/dbraw/zinc/78/42/45/1376784245.db2.gz RDSUZRKQYJAOAZ-APWZRJJASA-N 1 2 346.421 3.362 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1sccc1Cl)C(=O)C#CC(C)(C)C ZINC001234196381 1376784719 /nfs/dbraw/zinc/78/47/19/1376784719.db2.gz SLARCZJCPLJNPU-CYBMUJFWSA-N 1 2 338.904 3.484 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1sccc1Cl)C(=O)C#CC(C)(C)C ZINC001234196381 1376784724 /nfs/dbraw/zinc/78/47/24/1376784724.db2.gz SLARCZJCPLJNPU-CYBMUJFWSA-N 1 2 338.904 3.484 20 30 EGEDLO Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234195678 1376784821 /nfs/dbraw/zinc/78/48/21/1376784821.db2.gz MSAMXMGQAQESMI-INIZCTEOSA-N 1 2 345.487 3.189 20 30 EGEDLO Cc1nc(C(C)C)oc1C[N@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234195678 1376784824 /nfs/dbraw/zinc/78/48/24/1376784824.db2.gz MSAMXMGQAQESMI-INIZCTEOSA-N 1 2 345.487 3.189 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(F)(F)C(F)F)cc1 ZINC001135156063 1376940584 /nfs/dbraw/zinc/94/05/84/1376940584.db2.gz BHMDRTOSQGBPGP-NWDGAFQWSA-N 1 2 344.352 3.055 20 30 EGEDLO CC/C=C(\C)C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001189178818 1388475460 /nfs/dbraw/zinc/47/54/60/1388475460.db2.gz LKAMTEJTODUYNM-IDMFWIATSA-N 1 2 329.419 3.086 20 30 EGEDLO CC/C=C(\C)C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001189178818 1388475462 /nfs/dbraw/zinc/47/54/62/1388475462.db2.gz LKAMTEJTODUYNM-IDMFWIATSA-N 1 2 329.419 3.086 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2nc(-c3ccsc3)oc2C)C1 ZINC001266307427 1377267255 /nfs/dbraw/zinc/26/72/55/1377267255.db2.gz DKXUOWKZZWWMOY-HNNXBMFYSA-N 1 2 345.468 3.368 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2nc(-c3ccsc3)oc2C)C1 ZINC001266307427 1377267256 /nfs/dbraw/zinc/26/72/56/1377267256.db2.gz DKXUOWKZZWWMOY-HNNXBMFYSA-N 1 2 345.468 3.368 20 30 EGEDLO C#CCOc1ccc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)cc1OC ZINC001138341298 1377706566 /nfs/dbraw/zinc/70/65/66/1377706566.db2.gz MNUDSEOWULSZKX-IAGOWNOFSA-N 1 2 327.424 3.041 20 30 EGEDLO C#CCOc1ccc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)cc1OC ZINC001138341298 1377706569 /nfs/dbraw/zinc/70/65/69/1377706569.db2.gz MNUDSEOWULSZKX-IAGOWNOFSA-N 1 2 327.424 3.041 20 30 EGEDLO COc1cccc(F)c1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC001138381881 1377712762 /nfs/dbraw/zinc/71/27/62/1377712762.db2.gz SDVDBKAHRNDERL-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1c(F)cccc1OC)CCO2 ZINC001138384466 1377713759 /nfs/dbraw/zinc/71/37/59/1377713759.db2.gz SYGUYGWWUZUTAL-OXQOHEQNSA-N 1 2 349.446 3.408 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1c(F)cccc1OC)CCO2 ZINC001138384466 1377713763 /nfs/dbraw/zinc/71/37/63/1377713763.db2.gz SYGUYGWWUZUTAL-OXQOHEQNSA-N 1 2 349.446 3.408 20 30 EGEDLO O=C1C=C2C[N@@H+](Cc3cccc(Oc4ncccn4)c3)CC[C@H]2S1 ZINC001138619433 1377754611 /nfs/dbraw/zinc/75/46/11/1377754611.db2.gz GWLHIDFMWFTKMA-MRXNPFEDSA-N 1 2 339.420 3.043 20 30 EGEDLO O=C1C=C2C[N@H+](Cc3cccc(Oc4ncccn4)c3)CC[C@H]2S1 ZINC001138619433 1377754617 /nfs/dbraw/zinc/75/46/17/1377754617.db2.gz GWLHIDFMWFTKMA-MRXNPFEDSA-N 1 2 339.420 3.043 20 30 EGEDLO N#Cc1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)cc1F ZINC001139531254 1377898902 /nfs/dbraw/zinc/89/89/02/1377898902.db2.gz SKJHPOJQOYXNTB-QGZVFWFLSA-N 1 2 337.389 3.393 20 30 EGEDLO N#Cc1c(Cl)cccc1C[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC001139690676 1377935139 /nfs/dbraw/zinc/93/51/39/1377935139.db2.gz GFECNDRBNWGGRU-UHFFFAOYSA-N 1 2 345.874 3.436 20 30 EGEDLO Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3cccc(Cl)c3C#N)C2)n1 ZINC001139692781 1377936408 /nfs/dbraw/zinc/93/64/08/1377936408.db2.gz IZRDXBXGZJNOCS-OAHLLOKOSA-N 1 2 342.830 3.354 20 30 EGEDLO Cc1ccnc(O[C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3C#N)C2)n1 ZINC001139692781 1377936409 /nfs/dbraw/zinc/93/64/09/1377936409.db2.gz IZRDXBXGZJNOCS-OAHLLOKOSA-N 1 2 342.830 3.354 20 30 EGEDLO CC(C)(C)OC(=O)N1CCC2(C[NH+](Cc3cc(F)cc(C#N)c3)C2)C1 ZINC001139873522 1377968536 /nfs/dbraw/zinc/96/85/36/1377968536.db2.gz TZXXMYMRBFOMIF-UHFFFAOYSA-N 1 2 345.418 3.140 20 30 EGEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccc(Cl)cc1O)CC2 ZINC001140466392 1378067809 /nfs/dbraw/zinc/06/78/09/1378067809.db2.gz CZIJMFAOOSJPBJ-UHFFFAOYSA-N 1 2 347.846 3.040 20 30 EGEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccc(Cl)cc1O)CC2 ZINC001140466392 1378067812 /nfs/dbraw/zinc/06/78/12/1378067812.db2.gz CZIJMFAOOSJPBJ-UHFFFAOYSA-N 1 2 347.846 3.040 20 30 EGEDLO N#Cc1ccc(Cl)c(C[N@@H+]2CCCN(C(=O)C3CCC3)CC2)c1 ZINC001140601645 1378095795 /nfs/dbraw/zinc/09/57/95/1378095795.db2.gz WTXWKRRGWQGBIQ-UHFFFAOYSA-N 1 2 331.847 3.046 20 30 EGEDLO N#Cc1ccc(Cl)c(C[N@H+]2CCCN(C(=O)C3CCC3)CC2)c1 ZINC001140601645 1378095797 /nfs/dbraw/zinc/09/57/97/1378095797.db2.gz WTXWKRRGWQGBIQ-UHFFFAOYSA-N 1 2 331.847 3.046 20 30 EGEDLO N#Cc1cccc(N2CC[NH+](Cc3cc(C#N)ccc3Cl)CC2)c1 ZINC001140604323 1378096388 /nfs/dbraw/zinc/09/63/88/1378096388.db2.gz ZKBOAYDJFMTGND-UHFFFAOYSA-N 1 2 336.826 3.406 20 30 EGEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140754317 1378130530 /nfs/dbraw/zinc/13/05/30/1378130530.db2.gz VCRVPYUXJDLJAZ-CYBMUJFWSA-N 1 2 336.382 3.390 20 30 EGEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140754317 1378130533 /nfs/dbraw/zinc/13/05/33/1378130533.db2.gz VCRVPYUXJDLJAZ-CYBMUJFWSA-N 1 2 336.382 3.390 20 30 EGEDLO C=CCOC(=O)N1CC[NH+](Cc2ccc(-c3ccccn3)s2)CC1 ZINC001141007107 1378206788 /nfs/dbraw/zinc/20/67/88/1378206788.db2.gz XVHCJAJZTVTYOP-UHFFFAOYSA-N 1 2 343.452 3.250 20 30 EGEDLO COc1cccc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)c1F ZINC001141223447 1378275643 /nfs/dbraw/zinc/27/56/43/1378275643.db2.gz COWIIJFPHLABJB-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO C#CC[NH+]1CCN(Cc2ccc(OCc3ccccc3)c(C)c2)CC1 ZINC001141254211 1378283938 /nfs/dbraw/zinc/28/39/38/1378283938.db2.gz GCOMSAXWVNYASF-UHFFFAOYSA-N 1 2 334.463 3.325 20 30 EGEDLO C[C@@H](NC(=O)CCC1(C)CC1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001282743548 1378594810 /nfs/dbraw/zinc/59/48/10/1378594810.db2.gz YWBSAJQSKKARBN-CQSZACIVSA-N 1 2 343.446 3.214 20 30 EGEDLO COc1ccc([C@@H]2CSCC[N@@H+]2Cc2ccc(C#N)cn2)cc1 ZINC001144162884 1378690023 /nfs/dbraw/zinc/69/00/23/1378690023.db2.gz AVWSZAXIFLOLJS-SFHVURJKSA-N 1 2 325.437 3.252 20 30 EGEDLO COc1ccc([C@@H]2CSCC[N@H+]2Cc2ccc(C#N)cn2)cc1 ZINC001144162884 1378690027 /nfs/dbraw/zinc/69/00/27/1378690027.db2.gz AVWSZAXIFLOLJS-SFHVURJKSA-N 1 2 325.437 3.252 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1n[nH]c3ccc(F)cc31)C2 ZINC001144197604 1378697381 /nfs/dbraw/zinc/69/73/81/1378697381.db2.gz VFGLJFLTMWVMIQ-BEFAXECRSA-N 1 2 345.418 3.028 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1n[nH]c3ccc(F)cc31)C2 ZINC001144197604 1378697384 /nfs/dbraw/zinc/69/73/84/1378697384.db2.gz VFGLJFLTMWVMIQ-BEFAXECRSA-N 1 2 345.418 3.028 20 30 EGEDLO C#Cc1ccc(C[N@@H+]2Cc3ncn(CC4CC4)c3[C@H](COCC)C2)cc1 ZINC001144569482 1378745773 /nfs/dbraw/zinc/74/57/73/1378745773.db2.gz RYJFWWQNNNHBLH-FQEVSTJZSA-N 1 2 349.478 3.410 20 30 EGEDLO C#Cc1ccc(C[N@H+]2Cc3ncn(CC4CC4)c3[C@H](COCC)C2)cc1 ZINC001144569482 1378745775 /nfs/dbraw/zinc/74/57/75/1378745775.db2.gz RYJFWWQNNNHBLH-FQEVSTJZSA-N 1 2 349.478 3.410 20 30 EGEDLO C#Cc1ccc(C[N@@H+]2Cc3nn(CC4CC4)cc3[C@H](COCC)C2)cc1 ZINC001144568889 1378745866 /nfs/dbraw/zinc/74/58/66/1378745866.db2.gz HJIFYUHJYHUJFY-FQEVSTJZSA-N 1 2 349.478 3.410 20 30 EGEDLO C#Cc1ccc(C[N@H+]2Cc3nn(CC4CC4)cc3[C@H](COCC)C2)cc1 ZINC001144568889 1378745868 /nfs/dbraw/zinc/74/58/68/1378745868.db2.gz HJIFYUHJYHUJFY-FQEVSTJZSA-N 1 2 349.478 3.410 20 30 EGEDLO C=CCCC(=O)N1CC2(C1)CC[N@@H+](Cc1csc(CCCC)n1)C2 ZINC001147187696 1378983968 /nfs/dbraw/zinc/98/39/68/1378983968.db2.gz NQWXZGAXEWUXPL-UHFFFAOYSA-N 1 2 347.528 3.486 20 30 EGEDLO C=CCCC(=O)N1CC2(C1)CC[N@H+](Cc1csc(CCCC)n1)C2 ZINC001147187696 1378983976 /nfs/dbraw/zinc/98/39/76/1378983976.db2.gz NQWXZGAXEWUXPL-UHFFFAOYSA-N 1 2 347.528 3.486 20 30 EGEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C(C)(C)C)o1)C2 ZINC001147658668 1379056371 /nfs/dbraw/zinc/05/63/71/1379056371.db2.gz WVAMPJHWSAMLJZ-UHFFFAOYSA-N 1 2 345.487 3.363 20 30 EGEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C(C)(C)C)o1)C2 ZINC001147658668 1379056374 /nfs/dbraw/zinc/05/63/74/1379056374.db2.gz WVAMPJHWSAMLJZ-UHFFFAOYSA-N 1 2 345.487 3.363 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C/Cl)C2 ZINC001148146762 1379124660 /nfs/dbraw/zinc/12/46/60/1379124660.db2.gz ITBPMKYNHKUZQI-CRMJKIRDSA-N 1 2 331.287 3.442 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](C/C(Cl)=C/Cl)C2 ZINC001148146762 1379124661 /nfs/dbraw/zinc/12/46/61/1379124661.db2.gz ITBPMKYNHKUZQI-CRMJKIRDSA-N 1 2 331.287 3.442 20 30 EGEDLO CCCCCCCCC(=O)NCC[NH2+][C@H](C)c1nc(C2CC2)no1 ZINC001148728035 1379254881 /nfs/dbraw/zinc/25/48/81/1379254881.db2.gz SJWCIKKZQUPUOL-CQSZACIVSA-N 1 2 336.480 3.464 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C)CC2CCCC2)C1 ZINC001150402737 1379547250 /nfs/dbraw/zinc/54/72/50/1379547250.db2.gz FDSJFKAVEFMHOQ-WMLDXEAASA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C)CC2CCCC2)C1 ZINC001150402737 1379547254 /nfs/dbraw/zinc/54/72/54/1379547254.db2.gz FDSJFKAVEFMHOQ-WMLDXEAASA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCc2scnc2C)[C@@H]1C ZINC001284152590 1379548413 /nfs/dbraw/zinc/54/84/13/1379548413.db2.gz IPKMVZQYLKCQHI-KBPBESRZSA-N 1 2 341.908 3.106 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCc2scnc2C)[C@@H]1C ZINC001284152590 1379548417 /nfs/dbraw/zinc/54/84/17/1379548417.db2.gz IPKMVZQYLKCQHI-KBPBESRZSA-N 1 2 341.908 3.106 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)CCC(C)C ZINC001151766725 1379775418 /nfs/dbraw/zinc/77/54/18/1379775418.db2.gz QITAJBOVCWGWGK-OAHLLOKOSA-N 1 2 333.451 3.460 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)CCC(C)C ZINC001151766725 1379775424 /nfs/dbraw/zinc/77/54/24/1379775424.db2.gz QITAJBOVCWGWGK-OAHLLOKOSA-N 1 2 333.451 3.460 20 30 EGEDLO C=CC[C@@H](C(=O)NCC[NH2+][C@H](C)c1ncc(C)o1)c1ccccc1 ZINC001151838579 1379794622 /nfs/dbraw/zinc/79/46/22/1379794622.db2.gz VUWQBZPOBOCECZ-NVXWUHKLSA-N 1 2 327.428 3.110 20 30 EGEDLO CCCCCCCC[C@@H](C)C(=O)NCC[NH2+]Cc1cnsn1 ZINC001151849141 1379798341 /nfs/dbraw/zinc/79/83/41/1379798341.db2.gz WVWKHDIQDKBDAN-CQSZACIVSA-N 1 2 326.510 3.131 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)CC(C)(C)C ZINC001151937665 1379817793 /nfs/dbraw/zinc/81/77/93/1379817793.db2.gz IYWAMQIYPNZAHV-CQSZACIVSA-N 1 2 333.451 3.460 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)CC(C)(C)C ZINC001151937665 1379817795 /nfs/dbraw/zinc/81/77/95/1379817795.db2.gz IYWAMQIYPNZAHV-CQSZACIVSA-N 1 2 333.451 3.460 20 30 EGEDLO C=CCC1(C(=O)NCC[NH2+]Cc2nc3c(o2)CCCC3)CCCCC1 ZINC001151997381 1379834244 /nfs/dbraw/zinc/83/42/44/1379834244.db2.gz DYZJRRQOEWGWBV-UHFFFAOYSA-N 1 2 345.487 3.286 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1noc2c1CCCC2 ZINC001152867272 1379988199 /nfs/dbraw/zinc/98/81/99/1379988199.db2.gz MTWWLBLUNLINNI-MRXNPFEDSA-N 1 2 345.487 3.074 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1noc2c1CCCC2 ZINC001152867272 1379988201 /nfs/dbraw/zinc/98/82/01/1379988201.db2.gz MTWWLBLUNLINNI-MRXNPFEDSA-N 1 2 345.487 3.074 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)c2cnc3ccc(C(F)(F)F)cc3c2)CC1 ZINC001153825776 1380138304 /nfs/dbraw/zinc/13/83/04/1380138304.db2.gz WXBARABOGXSIFF-UHFFFAOYSA-N 1 2 349.356 3.197 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1nc2c(o1)CCCC2 ZINC001154606027 1380315891 /nfs/dbraw/zinc/31/58/91/1380315891.db2.gz XGIIRVNRHVHVJM-CQSZACIVSA-N 1 2 333.476 3.092 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc2c(o1)CCCC2 ZINC001154606027 1380315893 /nfs/dbraw/zinc/31/58/93/1380315893.db2.gz XGIIRVNRHVHVJM-CQSZACIVSA-N 1 2 333.476 3.092 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CC=CCC1 ZINC001154614750 1380317709 /nfs/dbraw/zinc/31/77/09/1380317709.db2.gz CJENWEXJNBKHPP-HUUCEWRRSA-N 1 2 343.309 3.468 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CC=CCC1 ZINC001154614750 1380317710 /nfs/dbraw/zinc/31/77/10/1380317710.db2.gz CJENWEXJNBKHPP-HUUCEWRRSA-N 1 2 343.309 3.468 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(C(C)(C)C)on1 ZINC001154720127 1380339700 /nfs/dbraw/zinc/33/97/00/1380339700.db2.gz SYNRVUQMAAKGDN-MRXNPFEDSA-N 1 2 347.503 3.492 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(C(C)(C)C)on1 ZINC001154720127 1380339701 /nfs/dbraw/zinc/33/97/01/1380339701.db2.gz SYNRVUQMAAKGDN-MRXNPFEDSA-N 1 2 347.503 3.492 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CC(C)C ZINC001156040566 1380515731 /nfs/dbraw/zinc/51/57/31/1380515731.db2.gz BJUORAGHWFMFDL-GXTWGEPZSA-N 1 2 333.314 3.404 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CC(C)C ZINC001156040566 1380515732 /nfs/dbraw/zinc/51/57/32/1380515732.db2.gz BJUORAGHWFMFDL-GXTWGEPZSA-N 1 2 333.314 3.404 20 30 EGEDLO CCOC(=O)Cc1cc[nH+]c(N2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001156775976 1380633342 /nfs/dbraw/zinc/63/33/42/1380633342.db2.gz QIKACAFEGMRXHR-UHFFFAOYSA-N 1 2 349.434 3.443 20 30 EGEDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc2c(C#N)c[nH]c2n1 ZINC001156784794 1380634788 /nfs/dbraw/zinc/63/47/88/1380634788.db2.gz UVYXHSZZZVDHKC-UHFFFAOYSA-N 1 2 328.379 3.257 20 30 EGEDLO Cc1cc(C#N)cc(NCCSCc2csc(C[NH+](C)C)n2)n1 ZINC001157339671 1380846048 /nfs/dbraw/zinc/84/60/48/1380846048.db2.gz CFEVGIOTLXZAIY-UHFFFAOYSA-N 1 2 347.513 3.125 20 30 EGEDLO CC(C)C#CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncoc1C(C)C ZINC001157939633 1381077030 /nfs/dbraw/zinc/07/70/30/1381077030.db2.gz GBGOJFUPHSTQEJ-QGZVFWFLSA-N 1 2 345.487 3.270 20 30 EGEDLO CC(C)C#CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncoc1C(C)C ZINC001157939633 1381077035 /nfs/dbraw/zinc/07/70/35/1381077035.db2.gz GBGOJFUPHSTQEJ-QGZVFWFLSA-N 1 2 345.487 3.270 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@H](C)c1nnc(C)o1 ZINC001158005094 1381099688 /nfs/dbraw/zinc/09/96/88/1381099688.db2.gz CNBDNMBSAKSBII-GDBMZVCRSA-N 1 2 348.491 3.354 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@H](C)c1nnc(C)o1 ZINC001158005094 1381099691 /nfs/dbraw/zinc/09/96/91/1381099691.db2.gz CNBDNMBSAKSBII-GDBMZVCRSA-N 1 2 348.491 3.354 20 30 EGEDLO N#Cc1ccc2cc[nH+]c(NCCNC(=O)Nc3ccccc3)c2c1 ZINC001158511611 1381274016 /nfs/dbraw/zinc/27/40/16/1381274016.db2.gz HGIKSHXCLLZBAR-UHFFFAOYSA-N 1 2 331.379 3.340 20 30 EGEDLO N#Cc1ccc2ccnc(N3CC[C@@H]([NH+]4CCCC4)C(F)(F)C3)c2c1 ZINC001158626276 1381328255 /nfs/dbraw/zinc/32/82/55/1381328255.db2.gz ZZYAPUQZEBYOMN-QGZVFWFLSA-N 1 2 342.393 3.416 20 30 EGEDLO N#Cc1ccc2ccnc(N3CC[C@H]([NH+]4CCCC4)C(F)(F)C3)c2c1 ZINC001158626275 1381328477 /nfs/dbraw/zinc/32/84/77/1381328477.db2.gz ZZYAPUQZEBYOMN-KRWDZBQOSA-N 1 2 342.393 3.416 20 30 EGEDLO C=CCCC(=O)NCCC1=CC[N@H+](Cc2cc(F)ccc2C#N)CC1 ZINC001159538622 1381822042 /nfs/dbraw/zinc/82/20/42/1381822042.db2.gz DMBIOLIPHFWJDQ-UHFFFAOYSA-N 1 2 341.430 3.302 20 30 EGEDLO C=CCCC(=O)NCCC1=CC[N@@H+](Cc2cc(F)ccc2C#N)CC1 ZINC001159538622 1381822046 /nfs/dbraw/zinc/82/20/46/1381822046.db2.gz DMBIOLIPHFWJDQ-UHFFFAOYSA-N 1 2 341.430 3.302 20 30 EGEDLO C#CCCCC(=O)NCCC1=CC[N@H+](C/C(Cl)=C/Cl)CC1 ZINC001159958124 1381951101 /nfs/dbraw/zinc/95/11/01/1381951101.db2.gz YZNADACSGRBSDP-QINSGFPZSA-N 1 2 329.271 3.247 20 30 EGEDLO C#CCCCC(=O)NCCC1=CC[N@@H+](C/C(Cl)=C/Cl)CC1 ZINC001159958124 1381951104 /nfs/dbraw/zinc/95/11/04/1381951104.db2.gz YZNADACSGRBSDP-QINSGFPZSA-N 1 2 329.271 3.247 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)/C=C(\C)CC)CC1 ZINC001160030249 1381972842 /nfs/dbraw/zinc/97/28/42/1381972842.db2.gz OWEULGRVPYDMBA-ACCUITESSA-N 1 2 341.293 3.390 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)/C=C(\C)CC)CC1 ZINC001160030249 1381972838 /nfs/dbraw/zinc/97/28/38/1381972838.db2.gz OWEULGRVPYDMBA-ACCUITESSA-N 1 2 341.293 3.390 20 30 EGEDLO CC[C@H](F)C(=O)NCCC1=CC[N@H+](Cc2cc(F)ccc2C#N)CC1 ZINC001160904961 1382230367 /nfs/dbraw/zinc/23/03/67/1382230367.db2.gz YEZXYNLJPWIWEV-SFHVURJKSA-N 1 2 347.409 3.084 20 30 EGEDLO CC[C@H](F)C(=O)NCCC1=CC[N@@H+](Cc2cc(F)ccc2C#N)CC1 ZINC001160904961 1382230371 /nfs/dbraw/zinc/23/03/71/1382230371.db2.gz YEZXYNLJPWIWEV-SFHVURJKSA-N 1 2 347.409 3.084 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@H+]([C@H](C)c2nc(CC)no2)CC1 ZINC001160915136 1382233333 /nfs/dbraw/zinc/23/33/33/1382233333.db2.gz LHDXBSDERCMHMH-CQSZACIVSA-N 1 2 346.475 3.044 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@@H+]([C@H](C)c2nc(CC)no2)CC1 ZINC001160915136 1382233338 /nfs/dbraw/zinc/23/33/38/1382233338.db2.gz LHDXBSDERCMHMH-CQSZACIVSA-N 1 2 346.475 3.044 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@H+](Cc2ncc(C)cn2)CC1 ZINC001160967044 1382254290 /nfs/dbraw/zinc/25/42/90/1382254290.db2.gz AICPOBNKURMBPL-QGZVFWFLSA-N 1 2 342.487 3.026 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@@H+](Cc2ncc(C)cn2)CC1 ZINC001160967044 1382254295 /nfs/dbraw/zinc/25/42/95/1382254295.db2.gz AICPOBNKURMBPL-QGZVFWFLSA-N 1 2 342.487 3.026 20 30 EGEDLO C=CCCCC(=O)NCCC1=CC[N@H+](Cc2nc(C)c(C)o2)CC1 ZINC001161056842 1382285893 /nfs/dbraw/zinc/28/58/93/1382285893.db2.gz RLQBEZLLSYUWHT-UHFFFAOYSA-N 1 2 331.460 3.286 20 30 EGEDLO C=CCCCC(=O)NCCC1=CC[N@@H+](Cc2nc(C)c(C)o2)CC1 ZINC001161056842 1382285896 /nfs/dbraw/zinc/28/58/96/1382285896.db2.gz RLQBEZLLSYUWHT-UHFFFAOYSA-N 1 2 331.460 3.286 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@H+](Cc2coc(C)n2)CC1 ZINC001161116417 1382304261 /nfs/dbraw/zinc/30/42/61/1382304261.db2.gz IHDNRUBXYPJMCC-IBGZPJMESA-N 1 2 331.460 3.224 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@@H+](Cc2coc(C)n2)CC1 ZINC001161116417 1382304266 /nfs/dbraw/zinc/30/42/66/1382304266.db2.gz IHDNRUBXYPJMCC-IBGZPJMESA-N 1 2 331.460 3.224 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@@H+]([C@@H](C)c2ncccn2)CC1 ZINC001161116236 1382304422 /nfs/dbraw/zinc/30/44/22/1382304422.db2.gz CCSLCFSSEHOKHV-OXJNMPFZSA-N 1 2 342.487 3.278 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@H+]([C@@H](C)c2ncccn2)CC1 ZINC001161116236 1382304425 /nfs/dbraw/zinc/30/44/25/1382304425.db2.gz CCSLCFSSEHOKHV-OXJNMPFZSA-N 1 2 342.487 3.278 20 30 EGEDLO C=C1CC(C)(C(=O)NCCC2=CC[N@H+](Cc3csc(C)n3)CC2)C1 ZINC001161172276 1382324725 /nfs/dbraw/zinc/32/47/25/1382324725.db2.gz BTWKSDDYEFECDJ-UHFFFAOYSA-N 1 2 345.512 3.446 20 30 EGEDLO C=C1CC(C)(C(=O)NCCC2=CC[N@@H+](Cc3csc(C)n3)CC2)C1 ZINC001161172276 1382324730 /nfs/dbraw/zinc/32/47/30/1382324730.db2.gz BTWKSDDYEFECDJ-UHFFFAOYSA-N 1 2 345.512 3.446 20 30 EGEDLO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC001294049407 1382410939 /nfs/dbraw/zinc/41/09/39/1382410939.db2.gz SKTQYSBPLWXOKL-IBGZPJMESA-N 1 2 349.434 3.173 20 30 EGEDLO C=CCOC(=O)N1CCC2(CN(c3ccc(C(C)C)c[nH+]3)C2)CC1 ZINC001163863585 1383130819 /nfs/dbraw/zinc/13/08/19/1383130819.db2.gz GMLMVHJNOIIDES-UHFFFAOYSA-N 1 2 329.444 3.430 20 30 EGEDLO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001164584471 1383202202 /nfs/dbraw/zinc/20/22/02/1383202202.db2.gz FQGBRHSSYLQSFG-UHFFFAOYSA-N 1 2 342.362 3.181 20 30 EGEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NC[C@@H]2CCCCO2)[nH+]1 ZINC001164689180 1383217903 /nfs/dbraw/zinc/21/79/03/1383217903.db2.gz FVHPCHVXPLFOAH-IUGSREJVSA-N 1 2 337.489 3.252 20 30 EGEDLO CCCCN(CC#N)c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001165160823 1383239210 /nfs/dbraw/zinc/23/92/10/1383239210.db2.gz WIHWKGRWDUTWMB-UHFFFAOYSA-N 1 2 335.455 3.165 20 30 EGEDLO CCCCN(CC#N)c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001165160823 1383239213 /nfs/dbraw/zinc/23/92/13/1383239213.db2.gz WIHWKGRWDUTWMB-UHFFFAOYSA-N 1 2 335.455 3.165 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1(C[NH2+]CC(F)(F)C(F)F)CC1 ZINC001165220850 1383252380 /nfs/dbraw/zinc/25/23/80/1383252380.db2.gz FRYLUPOTTBCJTB-UHFFFAOYSA-N 1 2 338.389 3.365 20 30 EGEDLO COC(=O)c1c(OC)cc[nH+]c1NC(C)(C)c1ccc(C#N)cc1 ZINC001165735133 1383334884 /nfs/dbraw/zinc/33/48/84/1383334884.db2.gz VRKQKFOHIFDQME-UHFFFAOYSA-N 1 2 325.368 3.096 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1(C[NH2+]Cc2noc(C(C)C)n2)CC1 ZINC001166754977 1383472049 /nfs/dbraw/zinc/47/20/49/1383472049.db2.gz CRWZPFNKMUBOQM-OAHLLOKOSA-N 1 2 348.491 3.171 20 30 EGEDLO N#Cc1c(C#N)c2c(nc1NCc1cc[nH+]c(N)c1)CCCCCC2 ZINC001167617530 1383689659 /nfs/dbraw/zinc/68/96/59/1383689659.db2.gz SJGHFUMOUZCQPH-UHFFFAOYSA-N 1 2 332.411 3.073 20 30 EGEDLO COc1cc(C[NH+]2CCOCC2)ccc1N[C@H]1CC[C@H](C#N)CC1 ZINC001167844826 1383757109 /nfs/dbraw/zinc/75/71/09/1383757109.db2.gz BKZJQBHGYFWPKT-JCNLHEQBSA-N 1 2 329.444 3.022 20 30 EGEDLO COc1cccc(-c2nnc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)o2)c1 ZINC001307762263 1384027691 /nfs/dbraw/zinc/02/76/91/1384027691.db2.gz MTANLYZIWWYYEW-ZDUSSCGKSA-N 1 2 334.379 3.468 20 30 EGEDLO N#CCc1ccc[nH+]c1NC1CCN(c2cnc3ccccc3n2)CC1 ZINC001171137771 1384452334 /nfs/dbraw/zinc/45/23/34/1384452334.db2.gz QFXITNDQCPFJJG-UHFFFAOYSA-N 1 2 344.422 3.172 20 30 EGEDLO [NH2+]=C(Nc1cnc(OCC2CC2)nc1)c1ccc2cc(O)ccc2c1 ZINC001171186112 1384463097 /nfs/dbraw/zinc/46/30/97/1384463097.db2.gz OAAIVUMJMMAXLX-UHFFFAOYSA-N 1 2 334.379 3.161 20 30 EGEDLO COC(=O)[C@@](C)(Cc1ccccc1)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171191881 1384464956 /nfs/dbraw/zinc/46/49/56/1384464956.db2.gz HAKMNNMPPPDXOV-HRAATJIYSA-N 1 2 336.435 3.253 20 30 EGEDLO COC(=O)[C@@H](Cc1cccc(F)c1)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171192527 1384465241 /nfs/dbraw/zinc/46/52/41/1384465241.db2.gz NPWSGKYTSUGCPZ-IFXJQAMLSA-N 1 2 340.398 3.002 20 30 EGEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001171202528 1384467555 /nfs/dbraw/zinc/46/75/55/1384467555.db2.gz CTRWLLJJROVCKX-JQFCIGGWSA-N 1 2 347.434 3.036 20 30 EGEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001171202528 1384467557 /nfs/dbraw/zinc/46/75/57/1384467557.db2.gz CTRWLLJJROVCKX-JQFCIGGWSA-N 1 2 347.434 3.036 20 30 EGEDLO CC(C)(CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1)C1CC1 ZINC001316975008 1384735460 /nfs/dbraw/zinc/73/54/60/1384735460.db2.gz APGYYOZXRVBQOJ-KRWDZBQOSA-N 1 2 343.446 3.214 20 30 EGEDLO CC(C)(CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1)C1CC1 ZINC001316975008 1384735462 /nfs/dbraw/zinc/73/54/62/1384735462.db2.gz APGYYOZXRVBQOJ-KRWDZBQOSA-N 1 2 343.446 3.214 20 30 EGEDLO CCOC(=O)C1([NH2+][C@H](C)Cc2ccc(C#N)cc2)Cc2ccccc2C1 ZINC001172301675 1384763840 /nfs/dbraw/zinc/76/38/40/1384763840.db2.gz UETDDTRAVAORBJ-MRXNPFEDSA-N 1 2 348.446 3.180 20 30 EGEDLO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1Cc2cnn(C3CCOCC3)c2C1 ZINC001172311554 1384766455 /nfs/dbraw/zinc/76/64/55/1384766455.db2.gz UMJVVAUZRWDWMH-OAHLLOKOSA-N 1 2 336.439 3.053 20 30 EGEDLO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1Cc2cnn(C3CCOCC3)c2C1 ZINC001172311554 1384766460 /nfs/dbraw/zinc/76/64/60/1384766460.db2.gz UMJVVAUZRWDWMH-OAHLLOKOSA-N 1 2 336.439 3.053 20 30 EGEDLO COC(=O)c1ccc(C[C@H](C)[N@H+](CCC#N)Cc2cccnc2)cc1 ZINC001173726088 1385009918 /nfs/dbraw/zinc/00/99/18/1385009918.db2.gz RAEUIVKWZOIKGU-INIZCTEOSA-N 1 2 337.423 3.215 20 30 EGEDLO COC(=O)c1ccc(C[C@H](C)[N@@H+](CCC#N)Cc2cccnc2)cc1 ZINC001173726088 1385009922 /nfs/dbraw/zinc/00/99/22/1385009922.db2.gz RAEUIVKWZOIKGU-INIZCTEOSA-N 1 2 337.423 3.215 20 30 EGEDLO Cc1ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)cc1C#N ZINC001174432240 1385108162 /nfs/dbraw/zinc/10/81/62/1385108162.db2.gz NGYHAADJANXPPT-UHFFFAOYSA-N 1 2 337.423 3.321 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCCC(C)(C)C)C[C@@H]21 ZINC001177030883 1385778733 /nfs/dbraw/zinc/77/87/33/1385778733.db2.gz QPRPAYWADLGWAU-ZWKOTPCHSA-N 1 2 336.520 3.471 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCCCC(C)(C)C)C[C@@H]21 ZINC001177030883 1385778737 /nfs/dbraw/zinc/77/87/37/1385778737.db2.gz QPRPAYWADLGWAU-ZWKOTPCHSA-N 1 2 336.520 3.471 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]3OCC[N@@H+](CC(=C)C)[C@H]3C2)CCCC1 ZINC001177163496 1385840657 /nfs/dbraw/zinc/84/06/57/1385840657.db2.gz UFBUGZIHFWPISD-ROUUACIJSA-N 1 2 332.488 3.001 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]3OCC[N@H+](CC(=C)C)[C@H]3C2)CCCC1 ZINC001177163496 1385840660 /nfs/dbraw/zinc/84/06/60/1385840660.db2.gz UFBUGZIHFWPISD-ROUUACIJSA-N 1 2 332.488 3.001 20 30 EGEDLO CCCC[C@](C)(F)C(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001320022332 1386458567 /nfs/dbraw/zinc/45/85/67/1386458567.db2.gz UUMRQLSULCPDHO-IBGZPJMESA-N 1 2 333.451 3.367 20 30 EGEDLO CCCC[C@](C)(F)C(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC001320022332 1386458569 /nfs/dbraw/zinc/45/85/69/1386458569.db2.gz UUMRQLSULCPDHO-IBGZPJMESA-N 1 2 333.451 3.367 20 30 EGEDLO N#Cc1ccc(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)[nH]1 ZINC001320340411 1386581214 /nfs/dbraw/zinc/58/12/14/1386581214.db2.gz KYYQYUKSJYXXPQ-UHFFFAOYSA-N 1 2 348.410 3.001 20 30 EGEDLO Cc1c[nH+]c2n1CCC21CCN(C(=O)[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC001182793104 1387225332 /nfs/dbraw/zinc/22/53/32/1387225332.db2.gz XZYUPPBEIQTLKQ-INIZCTEOSA-N 1 2 348.450 3.131 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC2(CN(C(=O)[C@H](C)CCC)C2)C1 ZINC001330489258 1389429784 /nfs/dbraw/zinc/42/97/84/1389429784.db2.gz SFYAKRVWTJNUOI-CYBMUJFWSA-N 1 2 343.309 3.256 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC2(CN(C(=O)[C@H](C)CCC)C2)C1 ZINC001330489258 1389429789 /nfs/dbraw/zinc/42/97/89/1389429789.db2.gz SFYAKRVWTJNUOI-CYBMUJFWSA-N 1 2 343.309 3.256 20 30 EGEDLO C=CC(C)(C)Cc1nnc(N2CCC(Nc3cccc[nH+]3)CC2)n1C ZINC001338014869 1389515806 /nfs/dbraw/zinc/51/58/06/1389515806.db2.gz KUKARLDSQBTFGZ-UHFFFAOYSA-N 1 2 340.475 3.046 20 30 EGEDLO CC[C@@H]1[C@H](C)CCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CC ZINC001340152997 1390237768 /nfs/dbraw/zinc/23/77/68/1390237768.db2.gz WMEXICMVOZLWLR-NVXWUHKLSA-N 1 2 344.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC(F)(F)CC1 ZINC001342226502 1390587848 /nfs/dbraw/zinc/58/78/48/1390587848.db2.gz YNTYNGDIXRZIOX-CQSZACIVSA-N 1 2 339.434 3.247 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC(F)(F)CC1 ZINC001342226502 1390587850 /nfs/dbraw/zinc/58/78/50/1390587850.db2.gz YNTYNGDIXRZIOX-CQSZACIVSA-N 1 2 339.434 3.247 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@H](C2CCC2)C1 ZINC001343457337 1390715246 /nfs/dbraw/zinc/71/52/46/1390715246.db2.gz NDTDVYXMLCXWMB-IRXDYDNUSA-N 1 2 329.492 3.247 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@H](C2CCC2)C1 ZINC001343457337 1390715248 /nfs/dbraw/zinc/71/52/48/1390715248.db2.gz NDTDVYXMLCXWMB-IRXDYDNUSA-N 1 2 329.492 3.247 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)[C@H](C)CCSC ZINC001343547596 1390721795 /nfs/dbraw/zinc/72/17/95/1390721795.db2.gz YGSSVFQVGYYNOV-HUUCEWRRSA-N 1 2 337.537 3.199 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N(C)[C@H](C)CCSC ZINC001343547596 1390721797 /nfs/dbraw/zinc/72/17/97/1390721797.db2.gz YGSSVFQVGYYNOV-HUUCEWRRSA-N 1 2 337.537 3.199 20 30 EGEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)CC(C)C ZINC001343545761 1390721833 /nfs/dbraw/zinc/72/18/33/1390721833.db2.gz GCGJVJKMSDISGP-UHFFFAOYSA-N 1 2 344.507 3.039 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)Cc1ccsc1 ZINC001343553549 1390722277 /nfs/dbraw/zinc/72/22/77/1390722277.db2.gz IEXALPXSHJVZLX-OAHLLOKOSA-N 1 2 331.489 3.319 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N(C)Cc1ccsc1 ZINC001343553549 1390722278 /nfs/dbraw/zinc/72/22/78/1390722278.db2.gz IEXALPXSHJVZLX-OAHLLOKOSA-N 1 2 331.489 3.319 20 30 EGEDLO N#Cc1ccccc1OCc1nnc(-c2ccc(-n3cc[nH+]c3)cc2)o1 ZINC001345681021 1390875631 /nfs/dbraw/zinc/87/56/31/1390875631.db2.gz QGABLRWUXUSSRT-UHFFFAOYSA-N 1 2 343.346 3.373 20 30 EGEDLO C[N@H+](CCNC(=O)C12CCC(CC1)CC2)Cc1cc(C#N)ccc1F ZINC001480949534 1393041617 /nfs/dbraw/zinc/04/16/17/1393041617.db2.gz KOETZPLEYARTEA-UHFFFAOYSA-N 1 2 343.446 3.216 20 30 EGEDLO C[N@@H+](CCNC(=O)C12CCC(CC1)CC2)Cc1cc(C#N)ccc1F ZINC001480949534 1393041620 /nfs/dbraw/zinc/04/16/20/1393041620.db2.gz KOETZPLEYARTEA-UHFFFAOYSA-N 1 2 343.446 3.216 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)CC1CCCC1 ZINC001481023208 1393098349 /nfs/dbraw/zinc/09/83/49/1393098349.db2.gz BTDRYXFGBSDIQR-AWEZNQCLSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)CC1CCCC1 ZINC001481023208 1393098350 /nfs/dbraw/zinc/09/83/50/1393098350.db2.gz BTDRYXFGBSDIQR-AWEZNQCLSA-N 1 2 329.282 3.056 20 30 EGEDLO CC(C)[C@@H](C)C(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001481187293 1393145391 /nfs/dbraw/zinc/14/53/91/1393145391.db2.gz IVVCKUWVLNFJJV-CQSZACIVSA-N 1 2 331.435 3.070 20 30 EGEDLO CC(C)[C@@H](C)C(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001481187293 1393145395 /nfs/dbraw/zinc/14/53/95/1393145395.db2.gz IVVCKUWVLNFJJV-CQSZACIVSA-N 1 2 331.435 3.070 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)COc1cc(C)cc(C)c1)C1CC1 ZINC001481196704 1393147787 /nfs/dbraw/zinc/14/77/87/1393147787.db2.gz OATRYDOWYWIYSA-UHFFFAOYSA-N 1 2 336.863 3.015 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)COc1cc(C)cc(C)c1)C1CC1 ZINC001481196704 1393147793 /nfs/dbraw/zinc/14/77/93/1393147793.db2.gz OATRYDOWYWIYSA-UHFFFAOYSA-N 1 2 336.863 3.015 20 30 EGEDLO CCC(CC)(CC)C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001494605714 1396484833 /nfs/dbraw/zinc/48/48/33/1396484833.db2.gz BNIMTEJHUIUVTC-UHFFFAOYSA-N 1 2 345.462 3.462 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)COc1ccccc1C(C)C ZINC001725192646 1425740095 /nfs/dbraw/zinc/74/00/95/1425740095.db2.gz NRGLSLBWQVPBNV-HNNXBMFYSA-N 1 2 338.879 3.378 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)COc1ccccc1C(C)C ZINC001725192646 1425740100 /nfs/dbraw/zinc/74/01/00/1425740100.db2.gz NRGLSLBWQVPBNV-HNNXBMFYSA-N 1 2 338.879 3.378 20 30 EGEDLO CC(C)c1ccoc1C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001690971418 1404879374 /nfs/dbraw/zinc/87/93/74/1404879374.db2.gz YCVLHDKOGREMHP-UHFFFAOYSA-N 1 2 343.402 3.276 20 30 EGEDLO CC(C)c1ccoc1C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001690971418 1404879379 /nfs/dbraw/zinc/87/93/79/1404879379.db2.gz YCVLHDKOGREMHP-UHFFFAOYSA-N 1 2 343.402 3.276 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C1(c2ccccc2OC)CC1 ZINC001691112066 1405052752 /nfs/dbraw/zinc/05/27/52/1405052752.db2.gz DJDPOVHQIRZIKE-OAHLLOKOSA-N 1 2 348.874 3.060 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(c2ccccc2OC)CC1 ZINC001691112066 1405052756 /nfs/dbraw/zinc/05/27/56/1405052756.db2.gz DJDPOVHQIRZIKE-OAHLLOKOSA-N 1 2 348.874 3.060 20 30 EGEDLO CC1(C)C(C(=O)NCC[N@H+](Cc2ccccc2C#N)C2CC2)C1(C)C ZINC001691205291 1405145692 /nfs/dbraw/zinc/14/56/92/1405145692.db2.gz PJOVHPCFQJPHGL-UHFFFAOYSA-N 1 2 339.483 3.321 20 30 EGEDLO CC1(C)C(C(=O)NCC[N@@H+](Cc2ccccc2C#N)C2CC2)C1(C)C ZINC001691205291 1405145694 /nfs/dbraw/zinc/14/56/94/1405145694.db2.gz PJOVHPCFQJPHGL-UHFFFAOYSA-N 1 2 339.483 3.321 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC001732091939 1428358395 /nfs/dbraw/zinc/35/83/95/1428358395.db2.gz UAKYFFMZAJBYFY-INIZCTEOSA-N 1 2 334.410 3.239 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC001732091939 1428358397 /nfs/dbraw/zinc/35/83/97/1428358397.db2.gz UAKYFFMZAJBYFY-INIZCTEOSA-N 1 2 334.410 3.239 20 30 EGEDLO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001732153989 1428397613 /nfs/dbraw/zinc/39/76/13/1428397613.db2.gz FULHBFQTVQMVRF-DZGCQCFKSA-N 1 2 334.410 3.266 20 30 EGEDLO C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001732153989 1428397616 /nfs/dbraw/zinc/39/76/16/1428397616.db2.gz FULHBFQTVQMVRF-DZGCQCFKSA-N 1 2 334.410 3.266 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC001732154797 1428398278 /nfs/dbraw/zinc/39/82/78/1428398278.db2.gz UBFCKYWOPBTIHD-DZGCQCFKSA-N 1 2 336.863 3.338 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001732154797 1428398282 /nfs/dbraw/zinc/39/82/82/1428398282.db2.gz UBFCKYWOPBTIHD-DZGCQCFKSA-N 1 2 336.863 3.338 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)c1cccc(F)c1 ZINC001700474993 1414099990 /nfs/dbraw/zinc/09/99/90/1414099990.db2.gz UYRNGYXZBKMHOM-CYBMUJFWSA-N 1 2 326.843 3.292 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C(C)(C)c1cccc(F)c1 ZINC001700474993 1414099995 /nfs/dbraw/zinc/09/99/95/1414099995.db2.gz UYRNGYXZBKMHOM-CYBMUJFWSA-N 1 2 326.843 3.292 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC001713820649 1418623035 /nfs/dbraw/zinc/62/30/35/1418623035.db2.gz KVMBJNWLGOOKGN-AWEZNQCLSA-N 1 2 336.838 3.363 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC001713820649 1418623039 /nfs/dbraw/zinc/62/30/39/1418623039.db2.gz KVMBJNWLGOOKGN-AWEZNQCLSA-N 1 2 336.838 3.363 20 30 EGEDLO CCC[C@H](C)CC(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001713892754 1418690183 /nfs/dbraw/zinc/69/01/83/1418690183.db2.gz IMEAGISDWIFVNX-AWEZNQCLSA-N 1 2 331.435 3.072 20 30 EGEDLO C[C@H](C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1)C1CCCC1 ZINC001713922385 1418715841 /nfs/dbraw/zinc/71/58/41/1418715841.db2.gz GIRWENKAQOGNDM-AWEZNQCLSA-N 1 2 343.446 3.072 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)CC(C)(C)CC)C1 ZINC001714004866 1418784497 /nfs/dbraw/zinc/78/44/97/1418784497.db2.gz XKBQDAKRCURBHF-CYBMUJFWSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)CC(C)(C)CC)C1 ZINC001714004866 1418784500 /nfs/dbraw/zinc/78/45/00/1418784500.db2.gz XKBQDAKRCURBHF-CYBMUJFWSA-N 1 2 331.298 3.254 20 30 EGEDLO CC(C)(C(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1)C1CC1 ZINC001714670944 1419460884 /nfs/dbraw/zinc/46/08/84/1419460884.db2.gz XLWRIQLKFQXRLB-UHFFFAOYSA-N 1 2 343.446 3.214 20 30 EGEDLO CC(C)(C(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1)C1CC1 ZINC001714670944 1419460885 /nfs/dbraw/zinc/46/08/85/1419460885.db2.gz XLWRIQLKFQXRLB-UHFFFAOYSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2ccc(OC)cc2)C1 ZINC001714862662 1419586282 /nfs/dbraw/zinc/58/62/82/1419586282.db2.gz RSYYAFNYFZCZMY-INIZCTEOSA-N 1 2 336.863 3.374 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccc(OC)cc2)C1 ZINC001714862662 1419586284 /nfs/dbraw/zinc/58/62/84/1419586284.db2.gz RSYYAFNYFZCZMY-INIZCTEOSA-N 1 2 336.863 3.374 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](Cc2ccccc2)C(C)C)C1 ZINC001714976180 1419710784 /nfs/dbraw/zinc/71/07/84/1419710784.db2.gz UCSCLCZEJGPVKB-GOSISDBHSA-N 1 2 334.891 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC(C)(C)c2ccc(F)cc2)C1 ZINC001715003850 1419734663 /nfs/dbraw/zinc/73/46/63/1419734663.db2.gz FMPGRLZIMJEIAI-MRXNPFEDSA-N 1 2 338.854 3.436 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)c2ccc(F)cc2)C1 ZINC001715003850 1419734664 /nfs/dbraw/zinc/73/46/64/1419734664.db2.gz FMPGRLZIMJEIAI-MRXNPFEDSA-N 1 2 338.854 3.436 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ncoc1-c1ccccc1 ZINC001715519708 1420206583 /nfs/dbraw/zinc/20/65/83/1420206583.db2.gz IPEGOELBCDWWDF-UHFFFAOYSA-N 1 2 333.819 3.098 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ncoc1-c1ccccc1 ZINC001715519708 1420206585 /nfs/dbraw/zinc/20/65/85/1420206585.db2.gz IPEGOELBCDWWDF-UHFFFAOYSA-N 1 2 333.819 3.098 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1scnc1C(C)(C)C ZINC001715532162 1420223158 /nfs/dbraw/zinc/22/31/58/1420223158.db2.gz MNOPATMJDGWSEA-UHFFFAOYSA-N 1 2 329.897 3.197 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1scnc1C(C)(C)C ZINC001715532162 1420223161 /nfs/dbraw/zinc/22/31/61/1420223161.db2.gz MNOPATMJDGWSEA-UHFFFAOYSA-N 1 2 329.897 3.197 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)CCCC1CC1 ZINC001715532931 1420224867 /nfs/dbraw/zinc/22/48/67/1420224867.db2.gz WSRDPYHGWDMTIA-UHFFFAOYSA-N 1 2 331.435 3.168 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)CCCC1CC1 ZINC001715532931 1420224868 /nfs/dbraw/zinc/22/48/68/1420224868.db2.gz WSRDPYHGWDMTIA-UHFFFAOYSA-N 1 2 331.435 3.168 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)C1CC2(CC2)C1 ZINC001717370179 1421308316 /nfs/dbraw/zinc/30/83/16/1421308316.db2.gz CNXXLAHZIUZJML-CQSZACIVSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)C1CC2(CC2)C1 ZINC001717370179 1421308318 /nfs/dbraw/zinc/30/83/18/1421308318.db2.gz CNXXLAHZIUZJML-CQSZACIVSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cn2cc(C)c3ccccc32)C1 ZINC001717562072 1421497458 /nfs/dbraw/zinc/49/74/58/1421497458.db2.gz YNDLOPKSLPYEDY-OAHLLOKOSA-N 1 2 345.874 3.139 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(COC(C)C)cc1 ZINC001722916892 1424255564 /nfs/dbraw/zinc/25/55/64/1424255564.db2.gz ZREBIVYXXMUVHR-OAHLLOKOSA-N 1 2 338.879 3.414 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(COC(C)C)cc1 ZINC001722916892 1424255571 /nfs/dbraw/zinc/25/55/71/1424255571.db2.gz ZREBIVYXXMUVHR-OAHLLOKOSA-N 1 2 338.879 3.414 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)COc2ccccc2C)[C@@H]1C ZINC001725614599 1426276479 /nfs/dbraw/zinc/27/64/79/1426276479.db2.gz AAWRZYHWXZIXPJ-JKSUJKDBSA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)COc2ccccc2C)[C@@H]1C ZINC001725614599 1426276483 /nfs/dbraw/zinc/27/64/83/1426276483.db2.gz AAWRZYHWXZIXPJ-JKSUJKDBSA-N 1 2 336.863 3.095 20 30 EGEDLO CCCCc1nc(C[NH+]2CCC(N(C)C(=O)[C@H](C)C#N)CC2)cs1 ZINC001731346684 1427284589 /nfs/dbraw/zinc/28/45/89/1427284589.db2.gz OSUKWJSKRXFPQY-CQSZACIVSA-N 1 2 348.516 3.068 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(=O)CCC1CCC1 ZINC001731534072 1427527562 /nfs/dbraw/zinc/52/75/62/1427527562.db2.gz SDXALDTZZROXFX-HNNXBMFYSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H]1CNC(=O)CCC1CCC1 ZINC001731534072 1427527564 /nfs/dbraw/zinc/52/75/64/1427527564.db2.gz SDXALDTZZROXFX-HNNXBMFYSA-N 1 2 343.309 3.446 20 30 EGEDLO C[C@H](C#N)C(=O)N(C)CCC[N@H+](C)Cc1csc(C2CCCC2)n1 ZINC001733770741 1430003179 /nfs/dbraw/zinc/00/31/79/1430003179.db2.gz YZXIXRJLAVCSCZ-CQSZACIVSA-N 1 2 348.516 3.241 20 30 EGEDLO C[C@H](C#N)C(=O)N(C)CCC[N@@H+](C)Cc1csc(C2CCCC2)n1 ZINC001733770741 1430003188 /nfs/dbraw/zinc/00/31/88/1430003188.db2.gz YZXIXRJLAVCSCZ-CQSZACIVSA-N 1 2 348.516 3.241 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)C1CC2(CCC2)C1 ZINC001733776308 1430022434 /nfs/dbraw/zinc/02/24/34/1430022434.db2.gz VSYRUGMNGJGPTL-UHFFFAOYSA-N 1 2 343.309 3.256 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)C1CC2(CCC2)C1 ZINC001733776308 1430022441 /nfs/dbraw/zinc/02/24/41/1430022441.db2.gz VSYRUGMNGJGPTL-UHFFFAOYSA-N 1 2 343.309 3.256 20 30 EGEDLO C#Cc1ccc(C(=O)NCCC[N@@H+](C)C/C(Cl)=C/Cl)cc1 ZINC001752033347 1440134000 /nfs/dbraw/zinc/13/40/00/1440134000.db2.gz ODMCDZNRRNPZRI-PTNGSMBKSA-N 1 2 325.239 3.039 20 30 EGEDLO C#Cc1ccc(C(=O)NCCC[N@H+](C)C/C(Cl)=C/Cl)cc1 ZINC001752033347 1440134001 /nfs/dbraw/zinc/13/40/01/1440134001.db2.gz ODMCDZNRRNPZRI-PTNGSMBKSA-N 1 2 325.239 3.039 20 30 EGEDLO C#Cc1ccc(C(=O)NCCC[N@@H+](C)C/C(Cl)=C\Cl)cc1 ZINC001752033348 1440134201 /nfs/dbraw/zinc/13/42/01/1440134201.db2.gz ODMCDZNRRNPZRI-RVDMUPIBSA-N 1 2 325.239 3.039 20 30 EGEDLO C#Cc1ccc(C(=O)NCCC[N@H+](C)C/C(Cl)=C\Cl)cc1 ZINC001752033348 1440134203 /nfs/dbraw/zinc/13/42/03/1440134203.db2.gz ODMCDZNRRNPZRI-RVDMUPIBSA-N 1 2 325.239 3.039 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCNC(=O)C[C@H]1CC=CCC1 ZINC001752044203 1440135308 /nfs/dbraw/zinc/13/53/08/1440135308.db2.gz PAIZGUDZIAEHMF-AWEZNQCLSA-N 1 2 329.282 3.080 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCNC(=O)C[C@H]1CC=CCC1 ZINC001752044203 1440135309 /nfs/dbraw/zinc/13/53/09/1440135309.db2.gz PAIZGUDZIAEHMF-AWEZNQCLSA-N 1 2 329.282 3.080 20 30 EGEDLO C=C1CCC(C(=O)NCCC[NH+]2CCN(CC/C=C/CC)CC2)CC1 ZINC001752352383 1440171971 /nfs/dbraw/zinc/17/19/71/1440171971.db2.gz MJRJSTGXMRTGHM-SNAWJCMRSA-N 1 2 347.547 3.213 20 30 EGEDLO CC(C)(C)C#CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1F ZINC001752818537 1440219275 /nfs/dbraw/zinc/21/92/75/1440219275.db2.gz DZSYVJIQDFVABB-QGZVFWFLSA-N 1 2 348.437 3.485 20 30 EGEDLO CC(C)(C)C#CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1F ZINC001752818537 1440219276 /nfs/dbraw/zinc/21/92/76/1440219276.db2.gz DZSYVJIQDFVABB-QGZVFWFLSA-N 1 2 348.437 3.485 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1csnn1 ZINC001752833663 1440226405 /nfs/dbraw/zinc/22/64/05/1440226405.db2.gz IIDCIHGAFXGWMC-IRXDYDNUSA-N 1 2 348.516 3.240 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+]1Cc1csnn1 ZINC001752833663 1440226406 /nfs/dbraw/zinc/22/64/06/1440226406.db2.gz IIDCIHGAFXGWMC-IRXDYDNUSA-N 1 2 348.516 3.240 20 30 EGEDLO C=CCC1(C(=O)NC[C@H](C)[NH2+]Cc2ncc(C3CC3)o2)CCCC1 ZINC001752924862 1440249628 /nfs/dbraw/zinc/24/96/28/1440249628.db2.gz QZGSOWTVUZBPCL-AWEZNQCLSA-N 1 2 331.460 3.283 20 30 EGEDLO C#CCCCCCC(=O)NC[C@H]1CCC[N@H+]1CC=C(Cl)Cl ZINC001753108579 1440307314 /nfs/dbraw/zinc/30/73/14/1440307314.db2.gz NHXCIGLZMXLAEA-CQSZACIVSA-N 1 2 331.287 3.470 20 30 EGEDLO C#CCCCCCC(=O)NC[C@H]1CCC[N@@H+]1CC=C(Cl)Cl ZINC001753108579 1440307315 /nfs/dbraw/zinc/30/73/15/1440307315.db2.gz NHXCIGLZMXLAEA-CQSZACIVSA-N 1 2 331.287 3.470 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(c2ccccc2)CCCO1 ZINC001753115013 1440310837 /nfs/dbraw/zinc/31/08/37/1440310837.db2.gz AXQNNSGSKTUAFT-IEBWSBKVSA-N 1 2 348.874 3.025 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(c2ccccc2)CCCO1 ZINC001753115013 1440310838 /nfs/dbraw/zinc/31/08/38/1440310838.db2.gz AXQNNSGSKTUAFT-IEBWSBKVSA-N 1 2 348.874 3.025 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CCC)C(=O)C2CCC2)C1 ZINC001753312473 1440357107 /nfs/dbraw/zinc/35/71/07/1440357107.db2.gz ZXEXWKNLRMECIB-AWEZNQCLSA-N 1 2 329.282 3.008 20 30 EGEDLO CC[C@@H](C)[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001753309686 1440356235 /nfs/dbraw/zinc/35/62/35/1440356235.db2.gz UXICJIWAWVCNEB-SMOSDQRPSA-N 1 2 339.483 3.416 20 30 EGEDLO CC[C@@H](C)[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001753309686 1440356236 /nfs/dbraw/zinc/35/62/36/1440356236.db2.gz UXICJIWAWVCNEB-SMOSDQRPSA-N 1 2 339.483 3.416 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(CCC)C(=O)C2CCC2)C1 ZINC001753312473 1440357106 /nfs/dbraw/zinc/35/71/06/1440357106.db2.gz ZXEXWKNLRMECIB-AWEZNQCLSA-N 1 2 329.282 3.008 20 30 EGEDLO C=CCCC(=O)N(CCC)[C@H]1CC[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001753314171 1440358664 /nfs/dbraw/zinc/35/86/64/1440358664.db2.gz DJPPOTBOGBEJNE-SFHVURJKSA-N 1 2 332.492 3.243 20 30 EGEDLO C=CCCC(=O)N(CCC)[C@H]1CC[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001753314171 1440358665 /nfs/dbraw/zinc/35/86/65/1440358665.db2.gz DJPPOTBOGBEJNE-SFHVURJKSA-N 1 2 332.492 3.243 20 30 EGEDLO C=C[C@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccn1)c1ccccc1 ZINC001753428157 1440397527 /nfs/dbraw/zinc/39/75/27/1440397527.db2.gz YPIZSYXVFVTASL-QMMLZNLJSA-N 1 2 347.462 3.227 20 30 EGEDLO C=C[C@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccn1)c1ccccc1 ZINC001753428157 1440397528 /nfs/dbraw/zinc/39/75/28/1440397528.db2.gz YPIZSYXVFVTASL-QMMLZNLJSA-N 1 2 347.462 3.227 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)CC(C)=C(C)C)C1 ZINC001753443372 1440402559 /nfs/dbraw/zinc/40/25/59/1440402559.db2.gz VBBANPIQOJJXSL-AWEZNQCLSA-N 1 2 329.282 3.174 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)CC(C)=C(C)C)C1 ZINC001753443372 1440402560 /nfs/dbraw/zinc/40/25/60/1440402560.db2.gz VBBANPIQOJJXSL-AWEZNQCLSA-N 1 2 329.282 3.174 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCc1ccc(C[NH2+]Cc2cc(C)on2)cc1 ZINC001753590557 1440442686 /nfs/dbraw/zinc/44/26/86/1440442686.db2.gz KASLXHOLZJXGBB-FQEVSTJZSA-N 1 2 341.455 3.491 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N(C)[C@H](C)C[NH2+][C@H](C)c1nc(C(C)C)no1 ZINC001753707180 1440469779 /nfs/dbraw/zinc/46/97/79/1440469779.db2.gz LKQGCFTWSDIUIV-ZIAGYGMSSA-N 1 2 336.480 3.293 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H](C[NH2+][C@H](C)c1noc(C)n1)C1CCCCC1 ZINC001753747657 1440481490 /nfs/dbraw/zinc/48/14/90/1440481490.db2.gz WBWRIZIJHRAZTH-CJNGLKHVSA-N 1 2 348.491 3.306 20 30 EGEDLO CCC[C@@H](CC)C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001753866589 1440514768 /nfs/dbraw/zinc/51/47/68/1440514768.db2.gz MTXUVKDDMKTOHZ-MRXNPFEDSA-N 1 2 333.451 3.414 20 30 EGEDLO CCC[C@@H](CC)C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001753866589 1440514769 /nfs/dbraw/zinc/51/47/69/1440514769.db2.gz MTXUVKDDMKTOHZ-MRXNPFEDSA-N 1 2 333.451 3.414 20 30 EGEDLO C=C1CC(C)(C(=O)N(CC)CC[NH2+][C@@H](C)c2nc(C(C)C)no2)C1 ZINC001754066370 1440537544 /nfs/dbraw/zinc/53/75/44/1440537544.db2.gz JVBZISXEWSWMIU-AWEZNQCLSA-N 1 2 334.464 3.048 20 30 EGEDLO C=CC(C)(C)CC(=O)NC/C=C\C[NH2+]Cc1cc(C(C)(C)C)on1 ZINC001754125997 1440543260 /nfs/dbraw/zinc/54/32/60/1440543260.db2.gz TZNLZYYFTYPZEK-HJWRWDBZSA-N 1 2 333.476 3.336 20 30 EGEDLO O=C(C[C@@H]1C=CCC1)NC[C@@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001754472235 1440605908 /nfs/dbraw/zinc/60/59/08/1440605908.db2.gz MWKMBNTWQRXIII-MJGOQNOKSA-N 1 2 342.870 3.238 20 30 EGEDLO O=C(C[C@@H]1C=CCC1)NC[C@@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001754472235 1440605909 /nfs/dbraw/zinc/60/59/09/1440605909.db2.gz MWKMBNTWQRXIII-MJGOQNOKSA-N 1 2 342.870 3.238 20 30 EGEDLO C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1)C(C)(C)C ZINC001754487808 1440609203 /nfs/dbraw/zinc/60/92/03/1440609203.db2.gz PXXHRLWFQSCQCO-CJNGLKHVSA-N 1 2 331.435 3.070 20 30 EGEDLO C[C@H](C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1)C(C)(C)C ZINC001754487808 1440609204 /nfs/dbraw/zinc/60/92/04/1440609204.db2.gz PXXHRLWFQSCQCO-CJNGLKHVSA-N 1 2 331.435 3.070 20 30 EGEDLO C=C/C(C)=C\CC(=O)NC[C@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001754490453 1440610123 /nfs/dbraw/zinc/61/01/23/1440610123.db2.gz PYJFBJMXSQEDSW-QIVUSQLPSA-N 1 2 342.870 3.404 20 30 EGEDLO C=C/C(C)=C\CC(=O)NC[C@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001754490453 1440610124 /nfs/dbraw/zinc/61/01/24/1440610124.db2.gz PYJFBJMXSQEDSW-QIVUSQLPSA-N 1 2 342.870 3.404 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C(C)C)n1 ZINC001754491539 1440610241 /nfs/dbraw/zinc/61/02/41/1440610241.db2.gz LLVWCQQAJXRXNX-AEFFLSMTSA-N 1 2 329.488 3.498 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C(C)C)n1 ZINC001754491539 1440610242 /nfs/dbraw/zinc/61/02/42/1440610242.db2.gz LLVWCQQAJXRXNX-AEFFLSMTSA-N 1 2 329.488 3.498 20 30 EGEDLO C#CCN(C(=O)/C(C)=C/C)C1CC[NH+](Cc2ncc(C(C)C)o2)CC1 ZINC001754636786 1440648580 /nfs/dbraw/zinc/64/85/80/1440648580.db2.gz MUDSZWLGVFXJRM-FRKPEAEDSA-N 1 2 343.471 3.190 20 30 EGEDLO C=C(C)CCC(=O)N[C@]1(C)CC[N@H+](Cc2cc(-c3ccco3)on2)C1 ZINC001754673734 1440658858 /nfs/dbraw/zinc/65/88/58/1440658858.db2.gz GLSSZPWDPVRSBS-LJQANCHMSA-N 1 2 343.427 3.372 20 30 EGEDLO C=C(C)CCC(=O)N[C@]1(C)CC[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC001754673734 1440658859 /nfs/dbraw/zinc/65/88/59/1440658859.db2.gz GLSSZPWDPVRSBS-LJQANCHMSA-N 1 2 343.427 3.372 20 30 EGEDLO C=CC[NH+]1CCC(C)(CNC(=O)c2ccc(C3CC3)nc2C)CC1 ZINC001754720406 1440673011 /nfs/dbraw/zinc/67/30/11/1440673011.db2.gz OKLQYJSJRKLCEN-UHFFFAOYSA-N 1 2 327.472 3.285 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@H]1C[N@H+](CC(=C)Cl)CCC1(F)F ZINC001754743056 1440683685 /nfs/dbraw/zinc/68/36/85/1440683685.db2.gz CIRATUNHHMPKIJ-ZDUSSCGKSA-N 1 2 334.838 3.415 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@H]1C[N@@H+](CC(=C)Cl)CCC1(F)F ZINC001754743056 1440683686 /nfs/dbraw/zinc/68/36/86/1440683686.db2.gz CIRATUNHHMPKIJ-ZDUSSCGKSA-N 1 2 334.838 3.415 20 30 EGEDLO C=CCCCCC[N@H+]1CCOC[C@@H]1CNC(=O)C(F)=C1CCCC1 ZINC001754964403 1440718087 /nfs/dbraw/zinc/71/80/87/1440718087.db2.gz ADIRVRYYCZFYDL-KRWDZBQOSA-N 1 2 338.467 3.347 20 30 EGEDLO C=CCCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)C(F)=C1CCCC1 ZINC001754964403 1440718088 /nfs/dbraw/zinc/71/80/88/1440718088.db2.gz ADIRVRYYCZFYDL-KRWDZBQOSA-N 1 2 338.467 3.347 20 30 EGEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)CCCC[C@@H](C)CC)C2)CC1 ZINC001755019998 1440726498 /nfs/dbraw/zinc/72/64/98/1440726498.db2.gz WENWFICJAYAPQC-PMACEKPBSA-N 1 2 349.563 3.388 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H](CCC)c3ccccn3)cc2C1 ZINC001755102286 1440753472 /nfs/dbraw/zinc/75/34/72/1440753472.db2.gz PHXZMQOKNIASFM-FQEVSTJZSA-N 1 2 347.462 3.231 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](CCC)c3ccccn3)cc2C1 ZINC001755102286 1440753473 /nfs/dbraw/zinc/75/34/73/1440753473.db2.gz PHXZMQOKNIASFM-FQEVSTJZSA-N 1 2 347.462 3.231 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2nc(C3CC3)no2)CC1(C)C ZINC001755137039 1440758502 /nfs/dbraw/zinc/75/85/02/1440758502.db2.gz LJPSTLYGKYYIGC-DZGCQCFKSA-N 1 2 346.475 3.191 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2nc(C3CC3)no2)CC1(C)C ZINC001755137039 1440758503 /nfs/dbraw/zinc/75/85/03/1440758503.db2.gz LJPSTLYGKYYIGC-DZGCQCFKSA-N 1 2 346.475 3.191 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CC[N@@H+](Cc2nc(C(C)C)no2)CC1(C)C ZINC001755143357 1440761977 /nfs/dbraw/zinc/76/19/77/1440761977.db2.gz XSQIVJUGQHJZCE-HNNXBMFYSA-N 1 2 348.491 3.266 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CC[N@H+](Cc2nc(C(C)C)no2)CC1(C)C ZINC001755143357 1440761978 /nfs/dbraw/zinc/76/19/78/1440761978.db2.gz XSQIVJUGQHJZCE-HNNXBMFYSA-N 1 2 348.491 3.266 20 30 EGEDLO CCC1(C(=O)N[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@@H](C)C2)CC1 ZINC001755162920 1440765505 /nfs/dbraw/zinc/76/55/05/1440765505.db2.gz BBYGHRNUKKJNBE-KSSFIOAISA-N 1 2 343.446 3.357 20 30 EGEDLO CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@@H](C)C2)CC1 ZINC001755162920 1440765506 /nfs/dbraw/zinc/76/55/06/1440765506.db2.gz BBYGHRNUKKJNBE-KSSFIOAISA-N 1 2 343.446 3.357 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2nc(C)oc2C)CCC1 ZINC001755198515 1440778164 /nfs/dbraw/zinc/77/81/64/1440778164.db2.gz BGSMVSJTKDLJJW-QGZVFWFLSA-N 1 2 345.487 3.461 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2nc(C)oc2C)CCC1 ZINC001755198515 1440778165 /nfs/dbraw/zinc/77/81/65/1440778165.db2.gz BGSMVSJTKDLJJW-QGZVFWFLSA-N 1 2 345.487 3.461 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)OCc1ccccc1C ZINC001755309448 1440812625 /nfs/dbraw/zinc/81/26/25/1440812625.db2.gz AFNZZVSJIMGWMU-HOTGVXAUSA-N 1 2 338.879 3.089 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)OCc1ccccc1C ZINC001755309448 1440812626 /nfs/dbraw/zinc/81/26/26/1440812626.db2.gz AFNZZVSJIMGWMU-HOTGVXAUSA-N 1 2 338.879 3.089 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H](C)[N@H+](C)Cc1nc(C)c2ccccc2n1 ZINC001755310851 1440813373 /nfs/dbraw/zinc/81/33/73/1440813373.db2.gz DTOVRMVCYNPNNN-AWEZNQCLSA-N 1 2 340.471 3.087 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H](C)[N@@H+](C)Cc1nc(C)c2ccccc2n1 ZINC001755310851 1440813374 /nfs/dbraw/zinc/81/33/74/1440813374.db2.gz DTOVRMVCYNPNNN-AWEZNQCLSA-N 1 2 340.471 3.087 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc3n(n2)CCCC3)[C@H]1C ZINC001755723133 1440908444 /nfs/dbraw/zinc/90/84/44/1440908444.db2.gz QCUWSKWGLMLTIM-QFBILLFUSA-N 1 2 344.503 3.045 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc3n(n2)CCCC3)[C@H]1C ZINC001755723133 1440908445 /nfs/dbraw/zinc/90/84/45/1440908445.db2.gz QCUWSKWGLMLTIM-QFBILLFUSA-N 1 2 344.503 3.045 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc3n(n2)CCCC3)[C@@H]1C ZINC001755723134 1440908449 /nfs/dbraw/zinc/90/84/49/1440908449.db2.gz QCUWSKWGLMLTIM-VQIMIIECSA-N 1 2 344.503 3.045 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc3n(n2)CCCC3)[C@@H]1C ZINC001755723134 1440908450 /nfs/dbraw/zinc/90/84/50/1440908450.db2.gz QCUWSKWGLMLTIM-VQIMIIECSA-N 1 2 344.503 3.045 20 30 EGEDLO C[C@@H]1[C@H](NC(=O)CCC2CC2)CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001755725353 1440909323 /nfs/dbraw/zinc/90/93/23/1440909323.db2.gz GKZXCBRGILKPHG-AUUYWEPGSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@@H]1[C@H](NC(=O)CCC2CC2)CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001755725353 1440909324 /nfs/dbraw/zinc/90/93/24/1440909324.db2.gz GKZXCBRGILKPHG-AUUYWEPGSA-N 1 2 343.446 3.357 20 30 EGEDLO C=C(Cl)C[NH2+]C[C@@H](NC(=O)c1nncc2ccccc21)C(C)(C)C ZINC001755826920 1440927552 /nfs/dbraw/zinc/92/75/52/1440927552.db2.gz AFIKSLMMVJUPHX-OAHLLOKOSA-N 1 2 346.862 3.116 20 30 EGEDLO C=CCCC(=O)N1C[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)CC[C@@H]1C ZINC001756803671 1441058487 /nfs/dbraw/zinc/05/84/87/1441058487.db2.gz OXSKPVBEMYRCAB-DOTOQJQBSA-N 1 2 343.471 3.082 20 30 EGEDLO C=CC[NH+](CC=C)CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000098071999 219078312 /nfs/dbraw/zinc/07/83/12/219078312.db2.gz ANFOTJJADACXGV-UHFFFAOYSA-N 1 2 348.468 3.026 20 30 EGEDLO C[C@@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1c(F)cccc1F ZINC000267713660 251278576 /nfs/dbraw/zinc/27/85/76/251278576.db2.gz UACDNCSYWBDINF-YGRLFVJLSA-N 1 2 347.390 3.354 20 30 EGEDLO CC[C@@H](CC#N)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000097377724 219019518 /nfs/dbraw/zinc/01/95/18/219019518.db2.gz NIKVBZDRMOWLTA-INMHGKMJSA-N 1 2 344.459 3.110 20 30 EGEDLO COC[C@H]([NH2+]Cc1cc(C#N)ccc1Br)c1ccco1 ZINC000191824586 533091840 /nfs/dbraw/zinc/09/18/40/533091840.db2.gz QZOQPZIBCVBUDG-AWEZNQCLSA-N 1 2 335.201 3.391 20 30 EGEDLO COc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3F)C2)cc1C#N ZINC000135032651 533564815 /nfs/dbraw/zinc/56/48/15/533564815.db2.gz JTBCSSOHHYXMNA-IBGZPJMESA-N 1 2 326.371 3.279 20 30 EGEDLO COc1ccc(C[N@H+]2CCO[C@H](c3ccccc3F)C2)cc1C#N ZINC000135032651 533564817 /nfs/dbraw/zinc/56/48/17/533564817.db2.gz JTBCSSOHHYXMNA-IBGZPJMESA-N 1 2 326.371 3.279 20 30 EGEDLO Cc1cc(Cl)cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c1 ZINC000351773405 144304434 /nfs/dbraw/zinc/30/44/34/144304434.db2.gz FEAZCQFRNQNHCX-CQSZACIVSA-N 1 2 341.846 3.021 20 30 EGEDLO Cc1cc(Cl)cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c1 ZINC000351773405 144304435 /nfs/dbraw/zinc/30/44/35/144304435.db2.gz FEAZCQFRNQNHCX-CQSZACIVSA-N 1 2 341.846 3.021 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](Nc1nccc(C#N)c1Cl)c1ccc(F)cc1 ZINC000341480227 155316552 /nfs/dbraw/zinc/31/65/52/155316552.db2.gz ZMMHWLSUSYWXPN-HNNXBMFYSA-N 1 2 341.777 3.103 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCSC[C@@H]2c2ccccc2)cc1 ZINC000115559298 152017555 /nfs/dbraw/zinc/01/75/55/152017555.db2.gz IUIHPGQIBOAVOC-GOSISDBHSA-N 1 2 337.448 3.287 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCSC[C@@H]2c2ccccc2)cc1 ZINC000115559298 152017558 /nfs/dbraw/zinc/01/75/58/152017558.db2.gz IUIHPGQIBOAVOC-GOSISDBHSA-N 1 2 337.448 3.287 20 30 EGEDLO C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1ccc(F)c(C#N)c1 ZINC000119834676 152231257 /nfs/dbraw/zinc/23/12/57/152231257.db2.gz YVTUIXMHJNQRMN-UHFFFAOYSA-N 1 2 333.313 3.046 20 30 EGEDLO C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1ccc(F)c(C#N)c1 ZINC000119834676 152231261 /nfs/dbraw/zinc/23/12/61/152231261.db2.gz YVTUIXMHJNQRMN-UHFFFAOYSA-N 1 2 333.313 3.046 20 30 EGEDLO N#Cc1ccc(NC(=O)C[NH2+][C@@H](c2nccs2)c2ccccc2)cc1 ZINC000195046260 153376380 /nfs/dbraw/zinc/37/63/80/153376380.db2.gz IMWMOZTXUDDTFY-GOSISDBHSA-N 1 2 348.431 3.332 20 30 EGEDLO CN(C)c1cc(C#N)cc(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)c1 ZINC000339903311 155024671 /nfs/dbraw/zinc/02/46/71/155024671.db2.gz SOQOPMBCSAFSCE-UHFFFAOYSA-N 1 2 331.379 3.267 20 30 EGEDLO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1cc(F)ccc1C#N ZINC000338314146 163210234 /nfs/dbraw/zinc/21/02/34/163210234.db2.gz HYCQMQGVAAKANB-UHFFFAOYSA-N 1 2 345.443 3.206 20 30 EGEDLO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1cc(F)ccc1C#N ZINC000338314146 163210237 /nfs/dbraw/zinc/21/02/37/163210237.db2.gz HYCQMQGVAAKANB-UHFFFAOYSA-N 1 2 345.443 3.206 20 30 EGEDLO CCc1nnc(NCc2cccc(-n3cc[nH+]c3)c2)c(C#N)c1CC ZINC000343913609 164064221 /nfs/dbraw/zinc/06/42/21/164064221.db2.gz ZSBOMJKBNFVGMR-UHFFFAOYSA-N 1 2 332.411 3.271 20 30 EGEDLO CC(C)c1noc([C@H](C)[N@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344101414 164103450 /nfs/dbraw/zinc/10/34/50/164103450.db2.gz DOHILXZQSKWFTO-AWEZNQCLSA-N 1 2 328.416 3.274 20 30 EGEDLO CC(C)c1noc([C@H](C)[N@@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344101414 164103454 /nfs/dbraw/zinc/10/34/54/164103454.db2.gz DOHILXZQSKWFTO-AWEZNQCLSA-N 1 2 328.416 3.274 20 30 EGEDLO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344117861 164107852 /nfs/dbraw/zinc/10/78/52/164107852.db2.gz QHMYPEALQRFWGA-AWEZNQCLSA-N 1 2 342.443 3.448 20 30 EGEDLO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344117861 164107854 /nfs/dbraw/zinc/10/78/54/164107854.db2.gz QHMYPEALQRFWGA-AWEZNQCLSA-N 1 2 342.443 3.448 20 30 EGEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nc(C2CCCC2)no1 ZINC000344129759 164109816 /nfs/dbraw/zinc/10/98/16/164109816.db2.gz UUSCOROOPNVDJK-UHFFFAOYSA-N 1 2 340.427 3.247 20 30 EGEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nc(C2CCCC2)no1 ZINC000344129759 164109817 /nfs/dbraw/zinc/10/98/17/164109817.db2.gz UUSCOROOPNVDJK-UHFFFAOYSA-N 1 2 340.427 3.247 20 30 EGEDLO COc1ccc(-n2ccc(C[NH2+]Cc3ccc(C#N)cc3F)n2)cc1 ZINC000344215563 164128921 /nfs/dbraw/zinc/12/89/21/164128921.db2.gz PJUFZRBTPCNLEU-UHFFFAOYSA-N 1 2 336.370 3.181 20 30 EGEDLO C[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc(C#N)c(F)c1 ZINC000346381521 164377599 /nfs/dbraw/zinc/37/75/99/164377599.db2.gz MVCDJWFRAJESLY-ZDUSSCGKSA-N 1 2 326.375 3.102 20 30 EGEDLO CO[C@@H](C)c1noc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC000355551938 166241139 /nfs/dbraw/zinc/24/11/39/166241139.db2.gz JQFBAPRAEUNKFU-AWEZNQCLSA-N 1 2 328.416 3.307 20 30 EGEDLO CO[C@@H](C)c1noc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC000355551938 166241140 /nfs/dbraw/zinc/24/11/40/166241140.db2.gz JQFBAPRAEUNKFU-AWEZNQCLSA-N 1 2 328.416 3.307 20 30 EGEDLO C[C@@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1cccc(C#N)c1 ZINC000360213890 167273196 /nfs/dbraw/zinc/27/31/96/167273196.db2.gz YPHUHQQQCXAVGR-OAHLLOKOSA-N 1 2 330.391 3.164 20 30 EGEDLO C[C@H](c1ccsc1)N1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000360593871 167365157 /nfs/dbraw/zinc/36/51/57/167365157.db2.gz GABQKFNVSMHKBI-MRXNPFEDSA-N 1 2 341.480 3.377 20 30 EGEDLO N#Cc1ccc(SCC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000365123479 168024690 /nfs/dbraw/zinc/02/46/90/168024690.db2.gz ZWBSIOPQCWLMCA-HNNXBMFYSA-N 1 2 326.425 3.127 20 30 EGEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@H]2c2noc(C3CC3)n2)cc1 ZINC000366266394 168100273 /nfs/dbraw/zinc/10/02/73/168100273.db2.gz HLLSHXKVUUGICX-DLBZAZTESA-N 1 2 338.411 3.079 20 30 EGEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCCC[C@H]2c2noc(C3CC3)n2)cc1 ZINC000366266394 168100275 /nfs/dbraw/zinc/10/02/75/168100275.db2.gz HLLSHXKVUUGICX-DLBZAZTESA-N 1 2 338.411 3.079 20 30 EGEDLO N#Cc1ccc(C[NH2+][C@H]2COc3cc(F)c(Br)cc32)o1 ZINC000367261013 168199854 /nfs/dbraw/zinc/19/98/54/168199854.db2.gz VHPAFHUODCUMCN-ZDUSSCGKSA-N 1 2 337.148 3.276 20 30 EGEDLO N#Cc1ccc(C[N@@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)s1 ZINC000430096117 269961998 /nfs/dbraw/zinc/96/19/98/269961998.db2.gz DFOXMSYAQBTOIW-UHFFFAOYSA-N 1 2 329.400 3.022 20 30 EGEDLO N#Cc1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)s1 ZINC000430096117 269961999 /nfs/dbraw/zinc/96/19/99/269961999.db2.gz DFOXMSYAQBTOIW-UHFFFAOYSA-N 1 2 329.400 3.022 20 30 EGEDLO N#Cc1ccc(/C=C\C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000491236349 270057573 /nfs/dbraw/zinc/05/75/73/270057573.db2.gz ICMVUTIPNJXFCK-VURMDHGXSA-N 1 2 346.365 3.213 20 30 EGEDLO CCN(C)C(=O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000299138113 266099638 /nfs/dbraw/zinc/09/96/38/266099638.db2.gz RAFPUIWXRRGYFQ-UHFFFAOYSA-N 1 2 339.414 3.178 20 30 EGEDLO CCN(C)C(=O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000299138113 266099639 /nfs/dbraw/zinc/09/96/39/266099639.db2.gz RAFPUIWXRRGYFQ-UHFFFAOYSA-N 1 2 339.414 3.178 20 30 EGEDLO C[C@@H](c1c(F)cccc1F)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000299049136 267000918 /nfs/dbraw/zinc/00/09/18/267000918.db2.gz LCPVBDSZPUGMMV-ZDUSSCGKSA-N 1 2 328.366 3.115 20 30 EGEDLO CCC[C@H]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000448578038 267037250 /nfs/dbraw/zinc/03/72/50/267037250.db2.gz MLYGYLYNRZAAEW-PMACEKPBSA-N 1 2 339.483 3.419 20 30 EGEDLO CCOC[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000459712480 267139879 /nfs/dbraw/zinc/13/98/79/267139879.db2.gz MYXXSWQUTJCNAD-OAHLLOKOSA-N 1 2 335.835 3.041 20 30 EGEDLO CCOC[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000459712480 267139885 /nfs/dbraw/zinc/13/98/85/267139885.db2.gz MYXXSWQUTJCNAD-OAHLLOKOSA-N 1 2 335.835 3.041 20 30 EGEDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2cccnc2C#N)CC1 ZINC000290626664 267208479 /nfs/dbraw/zinc/20/84/79/267208479.db2.gz MAOAVDLEPMQRGL-CYBMUJFWSA-N 1 2 328.366 3.115 20 30 EGEDLO C[C@H]1CN(c2ccc(Nc3snc(Cl)c3C#N)c[nH+]2)C[C@H](C)O1 ZINC000271332040 267239444 /nfs/dbraw/zinc/23/94/44/267239444.db2.gz QIIWLTORKSVZAU-UWVGGRQHSA-N 1 2 349.847 3.420 20 30 EGEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1cc(C(F)(F)F)cnc1C#N ZINC000413262430 267321414 /nfs/dbraw/zinc/32/14/14/267321414.db2.gz KBORIDSJBGCKKJ-UHFFFAOYSA-N 1 2 335.333 3.141 20 30 EGEDLO Cc1cccc([C@H](C)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000523486279 268057789 /nfs/dbraw/zinc/05/77/89/268057789.db2.gz DAACOLQQLRYYPZ-SFHVURJKSA-N 1 2 347.462 3.315 20 30 EGEDLO Cc1ccn2cc(CNC(=O)N(C)[C@@H](C)c3cccc(C#N)c3)[nH+]c2c1 ZINC000425455919 268062783 /nfs/dbraw/zinc/06/27/83/268062783.db2.gz VINXIWZYRCXVSI-HNNXBMFYSA-N 1 2 347.422 3.417 20 30 EGEDLO Cc1ccoc1C[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000429385463 268066166 /nfs/dbraw/zinc/06/61/66/268066166.db2.gz LCWGVBDEYLDKHX-LBPRGKRZSA-N 1 2 343.452 3.469 20 30 EGEDLO Cc1ccoc1C[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000429385463 268066167 /nfs/dbraw/zinc/06/61/67/268066167.db2.gz LCWGVBDEYLDKHX-LBPRGKRZSA-N 1 2 343.452 3.469 20 30 EGEDLO Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000450238716 268080213 /nfs/dbraw/zinc/08/02/13/268080213.db2.gz BSQKDHKJDYSZCH-INIZCTEOSA-N 1 2 347.422 3.158 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H]2Cc2ccccc2)c(C#N)c1C ZINC000437832286 268104951 /nfs/dbraw/zinc/10/49/51/268104951.db2.gz FNWKAGXGTRZTDE-RHSMWYFYSA-N 1 2 337.423 3.412 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H]2Cc2ccccc2)c(C#N)c1C ZINC000437832286 268104953 /nfs/dbraw/zinc/10/49/53/268104953.db2.gz FNWKAGXGTRZTDE-RHSMWYFYSA-N 1 2 337.423 3.412 20 30 EGEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCCC[C@H]3c3cc[nH]n3)C2=O)cc1 ZINC000285366605 268111314 /nfs/dbraw/zinc/11/13/14/268111314.db2.gz MGUGXYZTPGJYLJ-RBUKOAKNSA-N 1 2 349.438 3.004 20 30 EGEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCCC[C@H]3c3cc[nH]n3)C2=O)cc1 ZINC000285366605 268111316 /nfs/dbraw/zinc/11/13/16/268111316.db2.gz MGUGXYZTPGJYLJ-RBUKOAKNSA-N 1 2 349.438 3.004 20 30 EGEDLO N#Cc1ccc(CC(=O)N(Cc2[nH]cc[nH+]2)c2cccc(F)c2)cc1 ZINC000445954957 268213146 /nfs/dbraw/zinc/21/31/46/268213146.db2.gz POCPDSBUWITBMT-UHFFFAOYSA-N 1 2 334.354 3.196 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CC4CCC3CC4)CC2)cc1 ZINC000430877979 268221206 /nfs/dbraw/zinc/22/12/06/268221206.db2.gz KYLNRQABPLJWTB-GQOXECLESA-N 1 2 337.467 3.029 20 30 EGEDLO N#Cc1cccc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c1Br ZINC000450367230 268271549 /nfs/dbraw/zinc/27/15/49/268271549.db2.gz BMVYZFXRUQIGPT-LBPRGKRZSA-N 1 2 345.200 3.021 20 30 EGEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000277644538 268276325 /nfs/dbraw/zinc/27/63/25/268276325.db2.gz HUJZXHWLOFRDCF-UHFFFAOYSA-N 1 2 346.356 3.294 20 30 EGEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](CC(F)(F)F)C2)c1 ZINC000420957790 268279332 /nfs/dbraw/zinc/27/93/32/268279332.db2.gz ZXMWGXYJCSXJPE-CYBMUJFWSA-N 1 2 325.334 3.161 20 30 EGEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c1 ZINC000420957790 268279333 /nfs/dbraw/zinc/27/93/33/268279333.db2.gz ZXMWGXYJCSXJPE-CYBMUJFWSA-N 1 2 325.334 3.161 20 30 EGEDLO N#Cc1ccccc1OCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000324921089 268282715 /nfs/dbraw/zinc/28/27/15/268282715.db2.gz UTLWXTNQBLCNAH-UHFFFAOYSA-N 1 2 341.842 3.413 20 30 EGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000459402303 268290736 /nfs/dbraw/zinc/29/07/36/268290736.db2.gz FCCXUZDHFPHDCW-INIZCTEOSA-N 1 2 347.378 3.263 20 30 EGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000459402303 268290737 /nfs/dbraw/zinc/29/07/37/268290737.db2.gz FCCXUZDHFPHDCW-INIZCTEOSA-N 1 2 347.378 3.263 20 30 EGEDLO N#Cc1cccc(CNC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000074504444 307394097 /nfs/dbraw/zinc/39/40/97/307394097.db2.gz KRLFYPCUGDGOFH-RMKNXTFCSA-N 1 2 328.375 3.074 20 30 EGEDLO Cc1nc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)sc1C ZINC000081669817 307442167 /nfs/dbraw/zinc/44/21/67/307442167.db2.gz NLXSUJJELIKAFE-UHFFFAOYSA-N 1 2 330.432 3.093 20 30 EGEDLO Cc1ncc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)s1 ZINC000130819248 307634621 /nfs/dbraw/zinc/63/46/21/307634621.db2.gz RJQKGUFCNPJZSM-UHFFFAOYSA-N 1 2 349.463 3.194 20 30 EGEDLO Cc1ccc(C#N)cc1OC[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000155266303 307810879 /nfs/dbraw/zinc/81/08/79/307810879.db2.gz FACXQYWDDXDVBW-KRWDZBQOSA-N 1 2 335.407 3.273 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000069302882 454092905 /nfs/dbraw/zinc/09/29/05/454092905.db2.gz DEKMWOKVPLTUAM-INIZCTEOSA-N 1 2 342.270 3.480 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000069302882 454092908 /nfs/dbraw/zinc/09/29/08/454092908.db2.gz DEKMWOKVPLTUAM-INIZCTEOSA-N 1 2 342.270 3.480 20 30 EGEDLO N#Cc1ccc(CNC(=O)CCn2c3ccccc3[nH+]c2C2CC2)cc1 ZINC000539859820 314346712 /nfs/dbraw/zinc/34/67/12/314346712.db2.gz ZYYZAJLKIAXYEP-UHFFFAOYSA-N 1 2 344.418 3.492 20 30 EGEDLO COCC[C@@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1ccc(C)o1 ZINC000542579388 314560886 /nfs/dbraw/zinc/56/08/86/314560886.db2.gz XJMINNFGQRSGRE-QGZVFWFLSA-N 1 2 342.395 3.114 20 30 EGEDLO Cc1ccc2c(n1)c(=O)c(C#N)cn2Cc1ccc(C(C)C)[nH+]c1C ZINC000555038506 315363472 /nfs/dbraw/zinc/36/34/72/315363472.db2.gz DZWSBTKMTPYJEN-UHFFFAOYSA-N 1 2 332.407 3.452 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000570665854 317089785 /nfs/dbraw/zinc/08/97/85/317089785.db2.gz FEWYVSVSAOYSNK-RBUKOAKNSA-N 1 2 329.407 3.433 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2OC)C1=O ZINC000343603365 456736068 /nfs/dbraw/zinc/73/60/68/456736068.db2.gz MLAXMKXDEMAYES-AWEZNQCLSA-N 1 2 343.254 3.221 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(Cl)cc(Cl)c2OC)C1=O ZINC000343603365 456736071 /nfs/dbraw/zinc/73/60/71/456736071.db2.gz MLAXMKXDEMAYES-AWEZNQCLSA-N 1 2 343.254 3.221 20 30 EGEDLO C=CCC1(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CCC1 ZINC000190068042 455276899 /nfs/dbraw/zinc/27/68/99/455276899.db2.gz IMCXMBDEGSCAQS-UHFFFAOYSA-N 1 2 327.472 3.119 20 30 EGEDLO C=CCN1C(=O)/C(=C\c2ccc(N(C)C(C)C)[nH+]c2)SC1=S ZINC000190221908 455288893 /nfs/dbraw/zinc/28/88/93/455288893.db2.gz MOKWSKMIFGFXRX-UKTHLTGXSA-N 1 2 333.482 3.313 20 30 EGEDLO CC1CC[NH+](Cc2csc(NC(=O)c3ccc(C#N)cc3)n2)CC1 ZINC000014526904 453538539 /nfs/dbraw/zinc/53/85/39/453538539.db2.gz ZIJLKUKIONZKDT-UHFFFAOYSA-N 1 2 340.452 3.499 20 30 EGEDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1cc(C#N)ccc1F ZINC000027130176 453811384 /nfs/dbraw/zinc/81/13/84/453811384.db2.gz RBEOSTAFGXHRDF-UHFFFAOYSA-N 1 2 341.386 3.167 20 30 EGEDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1cc(C#N)ccc1F ZINC000027130176 453811385 /nfs/dbraw/zinc/81/13/85/453811385.db2.gz RBEOSTAFGXHRDF-UHFFFAOYSA-N 1 2 341.386 3.167 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000181740628 455378743 /nfs/dbraw/zinc/37/87/43/455378743.db2.gz KBDMLADNYMLXTG-NEPJUHHUSA-N 1 2 325.815 3.138 20 30 EGEDLO N#CCC[N@H+](CCCOc1ccc2c(c1)OCO2)Cc1ccco1 ZINC000081518222 453880697 /nfs/dbraw/zinc/88/06/97/453880697.db2.gz ZOIIAYXALSKANW-UHFFFAOYSA-N 1 2 328.368 3.193 20 30 EGEDLO N#CCC[N@@H+](CCCOc1ccc2c(c1)OCO2)Cc1ccco1 ZINC000081518222 453880699 /nfs/dbraw/zinc/88/06/99/453880699.db2.gz ZOIIAYXALSKANW-UHFFFAOYSA-N 1 2 328.368 3.193 20 30 EGEDLO C#CC[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000190780621 455381234 /nfs/dbraw/zinc/38/12/34/455381234.db2.gz YSDWWYGVRXWINE-CYBMUJFWSA-N 1 2 332.201 3.269 20 30 EGEDLO C#CC[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000190780621 455381238 /nfs/dbraw/zinc/38/12/38/455381238.db2.gz YSDWWYGVRXWINE-CYBMUJFWSA-N 1 2 332.201 3.269 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1cccc(F)c1)Cc1ccc(OC)cc1 ZINC000054272122 453919786 /nfs/dbraw/zinc/91/97/86/453919786.db2.gz KMSQFXBFZQIPGE-UHFFFAOYSA-N 1 2 328.387 3.461 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1cccc(F)c1)Cc1ccc(OC)cc1 ZINC000054272122 453919787 /nfs/dbraw/zinc/91/97/87/453919787.db2.gz KMSQFXBFZQIPGE-UHFFFAOYSA-N 1 2 328.387 3.461 20 30 EGEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1)C1CC1 ZINC000083422994 453948779 /nfs/dbraw/zinc/94/87/79/453948779.db2.gz CJDBUSCTDUGGBE-LJQANCHMSA-N 1 2 343.858 3.238 20 30 EGEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1)C1CC1 ZINC000083422994 453948782 /nfs/dbraw/zinc/94/87/82/453948782.db2.gz CJDBUSCTDUGGBE-LJQANCHMSA-N 1 2 343.858 3.238 20 30 EGEDLO O=C(NCCCn1cc[nH+]c1)Nc1cccc(C#Cc2ccccc2)c1 ZINC000076097500 453963597 /nfs/dbraw/zinc/96/35/97/453963597.db2.gz DETSEPRNYXDZCA-UHFFFAOYSA-N 1 2 344.418 3.495 20 30 EGEDLO CCCCN(CC)C(=O)C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076152577 453972362 /nfs/dbraw/zinc/97/23/62/453972362.db2.gz VTNCCNDXPOSALF-RBUKOAKNSA-N 1 2 327.472 3.407 20 30 EGEDLO CCCCN(CC)C(=O)C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076152577 453972364 /nfs/dbraw/zinc/97/23/64/453972364.db2.gz VTNCCNDXPOSALF-RBUKOAKNSA-N 1 2 327.472 3.407 20 30 EGEDLO Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000076153094 453972510 /nfs/dbraw/zinc/97/25/10/453972510.db2.gz FBBQSJLBNZFBMI-SFTDATJTSA-N 1 2 347.462 3.383 20 30 EGEDLO Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000076153094 453972512 /nfs/dbraw/zinc/97/25/12/453972512.db2.gz FBBQSJLBNZFBMI-SFTDATJTSA-N 1 2 347.462 3.383 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)NCc1ccc(C#N)cc1 ZINC000043471661 454063018 /nfs/dbraw/zinc/06/30/18/454063018.db2.gz LYWMTFPKZDDHHN-UHFFFAOYSA-N 1 2 347.422 3.106 20 30 EGEDLO N#CCc1cccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1 ZINC000069007961 454072310 /nfs/dbraw/zinc/07/23/10/454072310.db2.gz MCCQDDAVZQOFBG-UHFFFAOYSA-N 1 2 346.390 3.280 20 30 EGEDLO N#Cc1nnc2ccccc2c1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000077225042 454077700 /nfs/dbraw/zinc/07/77/00/454077700.db2.gz FNYIPVLRMLSQMV-UHFFFAOYSA-N 1 2 326.363 3.299 20 30 EGEDLO N#Cc1c(F)cccc1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000044724867 454116474 /nfs/dbraw/zinc/11/64/74/454116474.db2.gz IXQGEFVBLYCJRB-IBGZPJMESA-N 1 2 325.387 3.183 20 30 EGEDLO N#Cc1ccc(CCC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000078288131 454224100 /nfs/dbraw/zinc/22/41/00/454224100.db2.gz NDYBOZCNAZBQJA-UHFFFAOYSA-N 1 2 344.418 3.052 20 30 EGEDLO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(C#N)c2)o1 ZINC000131277825 454244288 /nfs/dbraw/zinc/24/42/88/454244288.db2.gz FDMOLKLCBJZOHR-QGZVFWFLSA-N 1 2 339.395 3.073 20 30 EGEDLO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(C#N)c2)o1 ZINC000131277825 454244293 /nfs/dbraw/zinc/24/42/93/454244293.db2.gz FDMOLKLCBJZOHR-QGZVFWFLSA-N 1 2 339.395 3.073 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000063300763 454403493 /nfs/dbraw/zinc/40/34/93/454403493.db2.gz SLANKAPHKPYSLY-UHFFFAOYSA-N 1 2 330.391 3.057 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000063300763 454403495 /nfs/dbraw/zinc/40/34/95/454403495.db2.gz SLANKAPHKPYSLY-UHFFFAOYSA-N 1 2 330.391 3.057 20 30 EGEDLO CC[C@@H](C#N)NC(=O)c1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000102349820 454500639 /nfs/dbraw/zinc/50/06/39/454500639.db2.gz MAWYIQPWMBRLAC-INIZCTEOSA-N 1 2 348.406 3.254 20 30 EGEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000103139418 454539587 /nfs/dbraw/zinc/53/95/87/454539587.db2.gz YHHAOEJSIMNDEZ-UHFFFAOYSA-N 1 2 337.398 3.092 20 30 EGEDLO Cc1ccc2[nH+]c(CSCC(=O)N(CCC#N)CC3CC3)cn2c1 ZINC000103535217 454562656 /nfs/dbraw/zinc/56/26/56/454562656.db2.gz NYCFNAPMXIMISA-UHFFFAOYSA-N 1 2 342.468 3.028 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000051557812 454630862 /nfs/dbraw/zinc/63/08/62/454630862.db2.gz QLTWSUUXDLYMOB-IBGZPJMESA-N 1 2 348.462 3.231 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000051557812 454630868 /nfs/dbraw/zinc/63/08/68/454630868.db2.gz QLTWSUUXDLYMOB-IBGZPJMESA-N 1 2 348.462 3.231 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000051877936 454639926 /nfs/dbraw/zinc/63/99/26/454639926.db2.gz QHDDVBGPPDCRQF-CYBMUJFWSA-N 1 2 330.457 3.051 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000051877936 454639931 /nfs/dbraw/zinc/63/99/31/454639931.db2.gz QHDDVBGPPDCRQF-CYBMUJFWSA-N 1 2 330.457 3.051 20 30 EGEDLO COc1cc(Br)c(C[NH+]2CCC(C#N)CC2)c(OC)c1 ZINC000123685648 454664387 /nfs/dbraw/zinc/66/43/87/454664387.db2.gz WANXKNYJWUNEPI-UHFFFAOYSA-N 1 2 339.233 3.202 20 30 EGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1ccc(C#N)cc1 ZINC000081087693 454682738 /nfs/dbraw/zinc/68/27/38/454682738.db2.gz YOOFZHFWZUKQIO-UHFFFAOYSA-N 1 2 330.391 3.075 20 30 EGEDLO CN(C)c1ncc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000093872353 454742506 /nfs/dbraw/zinc/74/25/06/454742506.db2.gz POXNHRWXWYGVCL-DLBZAZTESA-N 1 2 326.469 3.481 20 30 EGEDLO CN(C)c1ncc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000093872353 454742509 /nfs/dbraw/zinc/74/25/09/454742509.db2.gz POXNHRWXWYGVCL-DLBZAZTESA-N 1 2 326.469 3.481 20 30 EGEDLO CC(C)(C)OC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000162472845 454778286 /nfs/dbraw/zinc/77/82/86/454778286.db2.gz GSOYYDQBMVMYFB-UHFFFAOYSA-N 1 2 349.862 3.430 20 30 EGEDLO CCS[C@H](C)c1noc(CO[NH+]=C(N)c2ccc(C)c(F)c2)n1 ZINC000153285265 454778464 /nfs/dbraw/zinc/77/84/64/454778464.db2.gz VCHJKHNQUUBNDS-SNVBAGLBSA-N 1 2 338.408 3.168 20 30 EGEDLO C=CCC[C@H](O)C[N@@H+]1CCO[C@H](c2cccc(Br)c2)C1 ZINC000124909726 454781828 /nfs/dbraw/zinc/78/18/28/454781828.db2.gz CGGOBOYVWURSSP-HOTGVXAUSA-N 1 2 340.261 3.150 20 30 EGEDLO C=CCC[C@H](O)C[N@H+]1CCO[C@H](c2cccc(Br)c2)C1 ZINC000124909726 454781834 /nfs/dbraw/zinc/78/18/34/454781834.db2.gz CGGOBOYVWURSSP-HOTGVXAUSA-N 1 2 340.261 3.150 20 30 EGEDLO CCS[C@@H](C)c1noc(CO[NH+]=C(N)c2ccc(F)c(C)c2)n1 ZINC000153363717 454786204 /nfs/dbraw/zinc/78/62/04/454786204.db2.gz YJGHDAJLGZVJOK-JTQLQIEISA-N 1 2 338.408 3.168 20 30 EGEDLO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc1C#N ZINC000125012314 454790171 /nfs/dbraw/zinc/79/01/71/454790171.db2.gz SUYWNALMMNATTN-UHFFFAOYSA-N 1 2 338.407 3.142 20 30 EGEDLO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc1C#N ZINC000125012314 454790174 /nfs/dbraw/zinc/79/01/74/454790174.db2.gz SUYWNALMMNATTN-UHFFFAOYSA-N 1 2 338.407 3.142 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(C#N)CC1 ZINC000108361831 454794599 /nfs/dbraw/zinc/79/45/99/454794599.db2.gz FZOFVYJRPDGRSL-CQSZACIVSA-N 1 2 342.468 3.112 20 30 EGEDLO N#Cc1cccc(OC2CC[NH+](Cc3noc4c3CCCC4)CC2)c1 ZINC000108865749 454815017 /nfs/dbraw/zinc/81/50/17/454815017.db2.gz JONFTELCMQSBFF-UHFFFAOYSA-N 1 2 337.423 3.468 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177773216 454903470 /nfs/dbraw/zinc/90/34/70/454903470.db2.gz OMPXDQLNVUAVLZ-UHFFFAOYSA-N 1 2 326.425 3.294 20 30 EGEDLO C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000267070241 455498051 /nfs/dbraw/zinc/49/80/51/455498051.db2.gz VNAGFXJWPUOHQR-CQSZACIVSA-N 1 2 339.443 3.122 20 30 EGEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(Cl)c(F)c1 ZINC000127802251 454999000 /nfs/dbraw/zinc/99/90/00/454999000.db2.gz ZJJIBBOGPYTNFD-UHFFFAOYSA-N 1 2 337.826 3.254 20 30 EGEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(Cl)c(F)c1 ZINC000127802251 454999002 /nfs/dbraw/zinc/99/90/02/454999002.db2.gz ZJJIBBOGPYTNFD-UHFFFAOYSA-N 1 2 337.826 3.254 20 30 EGEDLO N#Cc1ccc(C[NH2+][C@H](CCO)c2ccco2)c(Br)c1 ZINC000185105961 455502308 /nfs/dbraw/zinc/50/23/08/455502308.db2.gz PXKCMZVXKFGWRO-CQSZACIVSA-N 1 2 335.201 3.127 20 30 EGEDLO N#CC1CC[NH+](Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000171036429 455018900 /nfs/dbraw/zinc/01/89/00/455018900.db2.gz ZYFXXYNALYKPCS-UHFFFAOYSA-N 1 2 327.409 3.274 20 30 EGEDLO CCOC(=O)Nc1ccc2c(C[N@H+](C)[C@H](C)CC#N)cc(=O)oc2c1 ZINC000129668123 455121284 /nfs/dbraw/zinc/12/12/84/455121284.db2.gz KCRYVNAGWOCNON-GFCCVEGCSA-N 1 2 343.383 3.095 20 30 EGEDLO CCOC(=O)Nc1ccc2c(C[N@@H+](C)[C@H](C)CC#N)cc(=O)oc2c1 ZINC000129668123 455121291 /nfs/dbraw/zinc/12/12/91/455121291.db2.gz KCRYVNAGWOCNON-GFCCVEGCSA-N 1 2 343.383 3.095 20 30 EGEDLO CC(C)(C#N)CC[NH2+][C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000129768766 455125123 /nfs/dbraw/zinc/12/51/23/455125123.db2.gz SVDOAZWZNBUXNS-CYBMUJFWSA-N 1 2 337.349 3.442 20 30 EGEDLO CN(Cc1[nH+]ccn1C)c1c(C#N)cnc2c(F)ccc(Cl)c21 ZINC000156853213 455153216 /nfs/dbraw/zinc/15/32/16/455153216.db2.gz LGKZJCOGELVJLJ-UHFFFAOYSA-N 1 2 329.766 3.269 20 30 EGEDLO C=CCSCCNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000172450162 455154710 /nfs/dbraw/zinc/15/47/10/455154710.db2.gz ASVWXEWREGAXGZ-UHFFFAOYSA-N 1 2 346.456 3.003 20 30 EGEDLO O[C@H](C1CC[NH+](CC#Cc2cccc(Cl)c2)CC1)C(F)(F)F ZINC000157191882 455171396 /nfs/dbraw/zinc/17/13/96/455171396.db2.gz ZRBOOLQZOKTJET-OAHLLOKOSA-N 1 2 331.765 3.327 20 30 EGEDLO C=CCCC[C@@H](C)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000180540388 455192199 /nfs/dbraw/zinc/19/21/99/455192199.db2.gz SYFFATJBVDXMMK-MRXNPFEDSA-N 1 2 326.444 3.475 20 30 EGEDLO N#Cc1cc(C(=O)N2CC[NH+](Cc3cccs3)CC2)ccc1Cl ZINC000612574920 460666750 /nfs/dbraw/zinc/66/67/50/460666750.db2.gz YOVTVAXMMZAFEU-UHFFFAOYSA-N 1 2 345.855 3.231 20 30 EGEDLO N#C[C@]1(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCc2ccccc2C1 ZINC000183925827 455340504 /nfs/dbraw/zinc/34/05/04/455340504.db2.gz QYQXMBSKGCSXKP-NRFANRHFSA-N 1 2 342.402 3.053 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184463648 455385697 /nfs/dbraw/zinc/38/56/97/455385697.db2.gz OBISTOHBPCCGHA-YVEFUNNKSA-N 1 2 336.505 3.146 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000246265638 455460247 /nfs/dbraw/zinc/46/02/47/455460247.db2.gz AOHHXZFVYNRVDE-KFKAGJAMSA-N 1 2 345.512 3.219 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000246265638 455460249 /nfs/dbraw/zinc/46/02/49/455460249.db2.gz AOHHXZFVYNRVDE-KFKAGJAMSA-N 1 2 345.512 3.219 20 30 EGEDLO CCOc1cc2c(cc1OCC)C[N@H+](Cc1cc(C#N)n(C)c1)CC2 ZINC000191191457 455460956 /nfs/dbraw/zinc/46/09/56/455460956.db2.gz VTAWKVGHUGWPPK-UHFFFAOYSA-N 1 2 339.439 3.252 20 30 EGEDLO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1cc(C#N)n(C)c1)CC2 ZINC000191191457 455460961 /nfs/dbraw/zinc/46/09/61/455460961.db2.gz VTAWKVGHUGWPPK-UHFFFAOYSA-N 1 2 339.439 3.252 20 30 EGEDLO COCCN(C)c1ccc(/C=C/C(=O)c2cnn(C(C)C)c2C)c[nH+]1 ZINC000191343786 455478601 /nfs/dbraw/zinc/47/86/01/455478601.db2.gz GYSCWDFNQLZFPO-SOFGYWHQSA-N 1 2 342.443 3.146 20 30 EGEDLO CCN(C)c1ccc(CNc2[nH+]cccc2OCCCC#N)cn1 ZINC000191570435 455498410 /nfs/dbraw/zinc/49/84/10/455498410.db2.gz JKZWBKSUKHEMAB-UHFFFAOYSA-N 1 2 325.416 3.227 20 30 EGEDLO N#CCc1ccccc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000601010861 460674942 /nfs/dbraw/zinc/67/49/42/460674942.db2.gz QIEAGEVPRWPOLG-UHFFFAOYSA-N 1 2 340.452 3.447 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c(C#N)c1C ZINC000267356219 455546079 /nfs/dbraw/zinc/54/60/79/455546079.db2.gz HHHKWQHRPAUDFP-HNNXBMFYSA-N 1 2 328.441 3.340 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc[nH]2)c(C#N)c1C ZINC000267356219 455546084 /nfs/dbraw/zinc/54/60/84/455546084.db2.gz HHHKWQHRPAUDFP-HNNXBMFYSA-N 1 2 328.441 3.340 20 30 EGEDLO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1nnc2ccccn21 ZINC000182670508 455564557 /nfs/dbraw/zinc/56/45/57/455564557.db2.gz KDFSPVNFQYAJDP-ZDUSSCGKSA-N 1 2 344.340 3.450 20 30 EGEDLO COc1ccc(Nc2cc(NCCCCC#N)[nH+]cn2)c(OC)c1 ZINC000182790611 455587424 /nfs/dbraw/zinc/58/74/24/455587424.db2.gz GTDYHLARHXIGGA-UHFFFAOYSA-N 1 2 327.388 3.343 20 30 EGEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000185642183 455588928 /nfs/dbraw/zinc/58/89/28/455588928.db2.gz CHUXSKHDYGPVCQ-AWEZNQCLSA-N 1 2 341.224 3.027 20 30 EGEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000185642183 455588930 /nfs/dbraw/zinc/58/89/30/455588930.db2.gz CHUXSKHDYGPVCQ-AWEZNQCLSA-N 1 2 341.224 3.027 20 30 EGEDLO CC1(C)CCCN(C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C#N ZINC000277616332 455615339 /nfs/dbraw/zinc/61/53/39/455615339.db2.gz VUENCNDQDSXVBT-YOCVDRLZSA-N 1 2 334.423 3.426 20 30 EGEDLO C=C(C)COc1cc(C[NH2+]C(C)(C)c2nc(C)no2)ccc1OC ZINC000284056212 455630873 /nfs/dbraw/zinc/63/08/73/455630873.db2.gz PPWOPIHUSJQKTF-UHFFFAOYSA-N 1 2 331.416 3.366 20 30 EGEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](C)O1 ZINC000247748280 455643999 /nfs/dbraw/zinc/64/39/99/455643999.db2.gz YLXNQHQTXZQZRD-TYNCELHUSA-N 1 2 335.835 3.038 20 30 EGEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](C)O1 ZINC000247748280 455644002 /nfs/dbraw/zinc/64/40/02/455644002.db2.gz YLXNQHQTXZQZRD-TYNCELHUSA-N 1 2 335.835 3.038 20 30 EGEDLO C#CCCCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000268325910 455651578 /nfs/dbraw/zinc/65/15/78/455651578.db2.gz UADVIOXMTFTEIZ-INIZCTEOSA-N 1 2 344.846 3.266 20 30 EGEDLO C[C@H](c1cccc(NC(=O)c2ccccc2CC#N)c1)[NH+]1CCOCC1 ZINC000601041698 460685323 /nfs/dbraw/zinc/68/53/23/460685323.db2.gz LXTUXIGDZPGEGD-MRXNPFEDSA-N 1 2 349.434 3.398 20 30 EGEDLO Cc1ccc2[nH+]c(/C=C3\S/C(=N/C4CCCC4)NC3=O)cn2c1 ZINC000284389925 455678199 /nfs/dbraw/zinc/67/81/99/455678199.db2.gz MMSYXCIWYRCKGU-ZSOIEALJSA-N 1 2 326.425 3.145 20 30 EGEDLO COc1cccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c1F ZINC000192945816 455723820 /nfs/dbraw/zinc/72/38/20/455723820.db2.gz WNBLGNHWLOMERH-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO COc1ccc(OC)c2c1C[N@@H+]([C@H](C)c1cccc(C#N)c1)C[C@H]2O ZINC000186352660 455749900 /nfs/dbraw/zinc/74/99/00/455749900.db2.gz YKCHVYVUUQIUER-CXAGYDPISA-N 1 2 338.407 3.186 20 30 EGEDLO COc1ccc(OC)c2c1C[N@H+]([C@H](C)c1cccc(C#N)c1)C[C@H]2O ZINC000186352660 455749903 /nfs/dbraw/zinc/74/99/03/455749903.db2.gz YKCHVYVUUQIUER-CXAGYDPISA-N 1 2 338.407 3.186 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000249716694 455768632 /nfs/dbraw/zinc/76/86/32/455768632.db2.gz JBHHSFOPDPMTKN-ZIAGYGMSSA-N 1 2 344.484 3.297 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000249716694 455768638 /nfs/dbraw/zinc/76/86/38/455768638.db2.gz JBHHSFOPDPMTKN-ZIAGYGMSSA-N 1 2 344.484 3.297 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000249722994 455769597 /nfs/dbraw/zinc/76/95/97/455769597.db2.gz NWLRSAPBJRNEGL-VKJFTORMSA-N 1 2 343.471 3.376 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000249722994 455769600 /nfs/dbraw/zinc/76/96/00/455769600.db2.gz NWLRSAPBJRNEGL-VKJFTORMSA-N 1 2 343.471 3.376 20 30 EGEDLO Cc1cc(NC(=O)C2(C#N)CCOCC2)ccc1Oc1cc[nH+]cc1 ZINC000193702672 455771864 /nfs/dbraw/zinc/77/18/64/455771864.db2.gz BTAYALFNXKDCRE-UHFFFAOYSA-N 1 2 337.379 3.441 20 30 EGEDLO C[C@@H](CNc1c(C#N)cnc2c(F)ccc(Cl)c21)[NH+]1CCOCC1 ZINC000193857557 455782849 /nfs/dbraw/zinc/78/28/49/455782849.db2.gz MWPHJVGUQXICQL-NSHDSACASA-N 1 2 348.809 3.032 20 30 EGEDLO C=CCN(CCc1ccccc1)C(=O)NCc1c[nH+]ccc1OC ZINC000294238948 455808425 /nfs/dbraw/zinc/80/84/25/455808425.db2.gz NGFVHENEZKVUNH-UHFFFAOYSA-N 1 2 325.412 3.031 20 30 EGEDLO CC(C)(C#N)CC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000278352671 455826926 /nfs/dbraw/zinc/82/69/26/455826926.db2.gz ZVNFNXYMGNTVJM-UHFFFAOYSA-N 1 2 348.450 3.200 20 30 EGEDLO C=C(C)COc1cc(C[NH2+]Cc2nnc(C(C)C)[nH]2)ccc1OC ZINC000294936483 455833558 /nfs/dbraw/zinc/83/35/58/455833558.db2.gz ZWPPTXIKTCEGOQ-UHFFFAOYSA-N 1 2 330.432 3.181 20 30 EGEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc2ccccn2)cc1 ZINC000295195651 455841846 /nfs/dbraw/zinc/84/18/46/455841846.db2.gz RROCNUVPWPDQJM-QGZVFWFLSA-N 1 2 336.439 3.157 20 30 EGEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc2ccccn2)cc1 ZINC000295195651 455841848 /nfs/dbraw/zinc/84/18/48/455841848.db2.gz RROCNUVPWPDQJM-QGZVFWFLSA-N 1 2 336.439 3.157 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000269609589 455850247 /nfs/dbraw/zinc/85/02/47/455850247.db2.gz LOAWSOKCAAUURK-UHFFFAOYSA-N 1 2 330.391 3.022 20 30 EGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000269659407 455851981 /nfs/dbraw/zinc/85/19/81/455851981.db2.gz PPBURZBSKIJIDY-LBPRGKRZSA-N 1 2 345.244 3.498 20 30 EGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000269659407 455851983 /nfs/dbraw/zinc/85/19/83/455851983.db2.gz PPBURZBSKIJIDY-LBPRGKRZSA-N 1 2 345.244 3.498 20 30 EGEDLO CC(C)c1nnc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)o1 ZINC000285556465 455868884 /nfs/dbraw/zinc/86/88/84/455868884.db2.gz RYVIEMBSHYQVHY-UHFFFAOYSA-N 1 2 344.390 3.247 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1)OCC ZINC000270066497 455870262 /nfs/dbraw/zinc/87/02/62/455870262.db2.gz WEEMUONDOSRLJY-SJLPKXTDSA-N 1 2 345.418 3.136 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2csc(Br)c2)n1 ZINC000279720706 455871711 /nfs/dbraw/zinc/87/17/11/455871711.db2.gz LRVFUTZQACOYFK-UHFFFAOYSA-N 1 2 338.274 3.362 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2csc(Br)c2)n1 ZINC000279720706 455871715 /nfs/dbraw/zinc/87/17/15/455871715.db2.gz LRVFUTZQACOYFK-UHFFFAOYSA-N 1 2 338.274 3.362 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(Br)s2)n1 ZINC000279810499 455874100 /nfs/dbraw/zinc/87/41/00/455874100.db2.gz XNRBQZMCWMKTLF-UHFFFAOYSA-N 1 2 338.274 3.362 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(Br)s2)n1 ZINC000279810499 455874106 /nfs/dbraw/zinc/87/41/06/455874106.db2.gz XNRBQZMCWMKTLF-UHFFFAOYSA-N 1 2 338.274 3.362 20 30 EGEDLO C=CC[N@H+](CCCS(=O)(=O)c1ccccc1)CCc1ccco1 ZINC000272327186 455913695 /nfs/dbraw/zinc/91/36/95/455913695.db2.gz VLKZGHJUAIXTAG-UHFFFAOYSA-N 1 2 333.453 3.174 20 30 EGEDLO C=CC[N@@H+](CCCS(=O)(=O)c1ccccc1)CCc1ccco1 ZINC000272327186 455913701 /nfs/dbraw/zinc/91/37/01/455913701.db2.gz VLKZGHJUAIXTAG-UHFFFAOYSA-N 1 2 333.453 3.174 20 30 EGEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000195042973 455916660 /nfs/dbraw/zinc/91/66/60/455916660.db2.gz CKYCWWCGBCJQEA-KRWDZBQOSA-N 1 2 327.453 3.023 20 30 EGEDLO Cc1[nH+]c2ccccc2n1C1CCN(c2nnc(C)c(C)c2C#N)CC1 ZINC000280229525 455922441 /nfs/dbraw/zinc/92/24/41/455922441.db2.gz LNZPTBPZLGSXSW-UHFFFAOYSA-N 1 2 346.438 3.465 20 30 EGEDLO CC[N@@H+](CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2)C[C@@H](C)C#N ZINC000195595853 455990062 /nfs/dbraw/zinc/99/00/62/455990062.db2.gz APGIQOOUGCZHGL-JKSUJKDBSA-N 1 2 327.472 3.224 20 30 EGEDLO CC[N@H+](CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2)C[C@@H](C)C#N ZINC000195595853 455990067 /nfs/dbraw/zinc/99/00/67/455990067.db2.gz APGIQOOUGCZHGL-JKSUJKDBSA-N 1 2 327.472 3.224 20 30 EGEDLO C=C(C)CS(=O)(=O)N1CCC(n2c3ccccc3[nH+]c2CC)CC1 ZINC000280599692 456009815 /nfs/dbraw/zinc/00/98/15/456009815.db2.gz PBZNDBFRFRKRKB-UHFFFAOYSA-N 1 2 347.484 3.142 20 30 EGEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000286750619 456053483 /nfs/dbraw/zinc/05/34/83/456053483.db2.gz YTNAQBPQGWLHGY-OAHLLOKOSA-N 1 2 345.748 3.119 20 30 EGEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000286750619 456053486 /nfs/dbraw/zinc/05/34/86/456053486.db2.gz YTNAQBPQGWLHGY-OAHLLOKOSA-N 1 2 345.748 3.119 20 30 EGEDLO N#Cc1cnc2ccc(Cl)cc2c1N1CCN(c2cccc[nH+]2)CC1 ZINC000301371815 456101393 /nfs/dbraw/zinc/10/13/93/456101393.db2.gz VODBGOWHKNXNHQ-UHFFFAOYSA-N 1 2 349.825 3.481 20 30 EGEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000289432237 456124304 /nfs/dbraw/zinc/12/43/04/456124304.db2.gz VTHRQNGQOQRADB-OAHLLOKOSA-N 1 2 345.439 3.426 20 30 EGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000289432237 456124311 /nfs/dbraw/zinc/12/43/11/456124311.db2.gz VTHRQNGQOQRADB-OAHLLOKOSA-N 1 2 345.439 3.426 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2nc(-c3ccccc3)cs2)C1=O ZINC000281197386 456161785 /nfs/dbraw/zinc/16/17/85/456161785.db2.gz IVYZCAVYFSIQDC-MRXNPFEDSA-N 1 2 327.453 3.029 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2nc(-c3ccccc3)cs2)C1=O ZINC000281197386 456161793 /nfs/dbraw/zinc/16/17/93/456161793.db2.gz IVYZCAVYFSIQDC-MRXNPFEDSA-N 1 2 327.453 3.029 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](COC)c1ccco1 ZINC000273333764 456223676 /nfs/dbraw/zinc/22/36/76/456223676.db2.gz CODREJZFGISIOD-GOEBONIOSA-N 1 2 348.468 3.222 20 30 EGEDLO C=CCC1(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)CCC1 ZINC000189112951 456230841 /nfs/dbraw/zinc/23/08/41/456230841.db2.gz YPZDBZDALIQGKV-LJQANCHMSA-N 1 2 342.483 3.231 20 30 EGEDLO C=CCCCCNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000274443500 456258858 /nfs/dbraw/zinc/25/88/58/456258858.db2.gz BSKWZKOJWJVVDA-UHFFFAOYSA-N 1 2 328.416 3.440 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000352802087 456321962 /nfs/dbraw/zinc/32/19/62/456321962.db2.gz LIPWUPBXOOMLLP-BBWFWOEESA-N 1 2 348.487 3.043 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000352802087 456321968 /nfs/dbraw/zinc/32/19/68/456321968.db2.gz LIPWUPBXOOMLLP-BBWFWOEESA-N 1 2 348.487 3.043 20 30 EGEDLO COc1cc(C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)ccc1C#N ZINC000282333278 456479377 /nfs/dbraw/zinc/47/93/77/456479377.db2.gz OFUVVCQXHLSLOL-LJQANCHMSA-N 1 2 326.371 3.279 20 30 EGEDLO COc1cc(C[N@H+]2CCO[C@@H](c3ccccc3F)C2)ccc1C#N ZINC000282333278 456479390 /nfs/dbraw/zinc/47/93/90/456479390.db2.gz OFUVVCQXHLSLOL-LJQANCHMSA-N 1 2 326.371 3.279 20 30 EGEDLO N#CC1CCC(CNC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000282402099 456501852 /nfs/dbraw/zinc/50/18/52/456501852.db2.gz RRXZGZSSLGGUQL-JXMROGBWSA-N 1 2 334.423 3.332 20 30 EGEDLO N#CCN1CC[NH+](Cc2c(OC(F)F)ccc3ccccc32)CC1 ZINC000353143314 456519323 /nfs/dbraw/zinc/51/93/23/456519323.db2.gz HFUJORXEFJTBCY-UHFFFAOYSA-N 1 2 331.366 3.082 20 30 EGEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000298719059 456524664 /nfs/dbraw/zinc/52/46/64/456524664.db2.gz NHVSBISATQUNJX-FUHWJXTLSA-N 1 2 343.471 3.049 20 30 EGEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000298719059 456524669 /nfs/dbraw/zinc/52/46/69/456524669.db2.gz NHVSBISATQUNJX-FUHWJXTLSA-N 1 2 343.471 3.049 20 30 EGEDLO N#C[C@H](CCc1ccccc1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343337635 456539053 /nfs/dbraw/zinc/53/90/53/456539053.db2.gz AVTVPKHDAWBQQG-SFHVURJKSA-N 1 2 345.406 3.037 20 30 EGEDLO Cc1cccc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)n1 ZINC000348333575 456630893 /nfs/dbraw/zinc/63/08/93/456630893.db2.gz ZOELUAPMMMUVBK-LJQANCHMSA-N 1 2 340.858 3.426 20 30 EGEDLO C=CC[N@@H+](CC(=O)N[C@H](C)c1cccs1)Cc1cccc(C#N)c1 ZINC000299289279 456650251 /nfs/dbraw/zinc/65/02/51/456650251.db2.gz CMYQADVUKQWBPG-OAHLLOKOSA-N 1 2 339.464 3.485 20 30 EGEDLO C=CC[N@H+](CC(=O)N[C@H](C)c1cccs1)Cc1cccc(C#N)c1 ZINC000299289279 456650258 /nfs/dbraw/zinc/65/02/58/456650258.db2.gz CMYQADVUKQWBPG-OAHLLOKOSA-N 1 2 339.464 3.485 20 30 EGEDLO O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCCCC1)C1CCCCC1 ZINC000328794420 456762980 /nfs/dbraw/zinc/76/29/80/456762980.db2.gz SLWGALMQIMBVEO-KRWDZBQOSA-N 1 2 346.475 3.260 20 30 EGEDLO O=C(N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCCCC1)C1CCCCC1 ZINC000328794420 456762986 /nfs/dbraw/zinc/76/29/86/456762986.db2.gz SLWGALMQIMBVEO-KRWDZBQOSA-N 1 2 346.475 3.260 20 30 EGEDLO CC1CCC(N2C[C@@H](C(=O)Nc3ccn4cc[nH+]c4c3)CC2=O)CC1 ZINC000328795731 456763513 /nfs/dbraw/zinc/76/35/13/456763513.db2.gz UHCVSFQZVASDRD-BBBYJDLNSA-N 1 2 340.427 3.350 20 30 EGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(C2CCCC2)cc1 ZINC000343879683 456780225 /nfs/dbraw/zinc/78/02/25/456780225.db2.gz RTXRMGYHFQXORG-UHFFFAOYSA-N 1 2 341.499 3.392 20 30 EGEDLO N#CCC[N@H+](CCN1CCOCC1)Cc1ccc(C2CCCC2)cc1 ZINC000343879683 456780232 /nfs/dbraw/zinc/78/02/32/456780232.db2.gz RTXRMGYHFQXORG-UHFFFAOYSA-N 1 2 341.499 3.392 20 30 EGEDLO N#CCC[N@@H+](CCN1CCOCC1)Cc1ccc(C2CCCC2)cc1 ZINC000343879683 456780240 /nfs/dbraw/zinc/78/02/40/456780240.db2.gz RTXRMGYHFQXORG-UHFFFAOYSA-N 1 2 341.499 3.392 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CCSc3ccccc32)C1 ZINC000328878811 456783128 /nfs/dbraw/zinc/78/31/28/456783128.db2.gz UUSRCKPEUVXNPV-HIFRSBDPSA-N 1 2 342.468 3.361 20 30 EGEDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)N1CCC(CC(F)(F)F)CC1 ZINC000328889111 456784834 /nfs/dbraw/zinc/78/48/34/456784834.db2.gz QPJLDSRHWOEHDC-CYBMUJFWSA-N 1 2 344.381 3.339 20 30 EGEDLO C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000328919534 456791336 /nfs/dbraw/zinc/79/13/36/456791336.db2.gz LMFQIKWQRXTIAR-UWWQBHOKSA-N 1 2 338.455 3.447 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1)[NH+]1CCSCC1 ZINC000328924319 456792619 /nfs/dbraw/zinc/79/26/19/456792619.db2.gz DISKMYVWWQLZGC-JSGCOSHPSA-N 1 2 333.457 3.156 20 30 EGEDLO C=C(C)C[N@H+](Cc1cc(C(F)(F)F)n[nH]1)Cc1ccc(CO)o1 ZINC000348654342 456801849 /nfs/dbraw/zinc/80/18/49/456801849.db2.gz XKYYHUOFAJAZAD-UHFFFAOYSA-N 1 2 329.322 3.092 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cc(C(F)(F)F)n[nH]1)Cc1ccc(CO)o1 ZINC000348654342 456801856 /nfs/dbraw/zinc/80/18/56/456801856.db2.gz XKYYHUOFAJAZAD-UHFFFAOYSA-N 1 2 329.322 3.092 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)CCC(=O)OC(C)(C)C)c1C ZINC000344211799 456807290 /nfs/dbraw/zinc/80/72/90/456807290.db2.gz FTUDNBPVDDGFCO-UHFFFAOYSA-N 1 2 334.460 3.137 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)CCC(=O)OC(C)(C)C)c1C ZINC000344211799 456807291 /nfs/dbraw/zinc/80/72/91/456807291.db2.gz FTUDNBPVDDGFCO-UHFFFAOYSA-N 1 2 334.460 3.137 20 30 EGEDLO O=C(NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329008029 456813064 /nfs/dbraw/zinc/81/30/64/456813064.db2.gz YPJMTABNNXNSEV-MPGHIAIKSA-N 1 2 343.402 3.319 20 30 EGEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1ccc(-c2cccs2)cc1 ZINC000277410567 456815587 /nfs/dbraw/zinc/81/55/87/456815587.db2.gz DOZCBWQJSRZVNO-UHFFFAOYSA-N 1 2 331.441 3.119 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccnc(C2CC2)c1)C1CCOCC1 ZINC000329108658 456835896 /nfs/dbraw/zinc/83/58/96/456835896.db2.gz FRMDYBSTYJEZHZ-QGZVFWFLSA-N 1 2 340.427 3.165 20 30 EGEDLO Cc1nc2ccc(NC(=O)[C@H](C)[N@@H+]3CCc4ccccc4C3)cn2n1 ZINC000329126936 456839509 /nfs/dbraw/zinc/83/95/09/456839509.db2.gz YUKNVUYOHSZTTF-ZDUSSCGKSA-N 1 2 335.411 3.073 20 30 EGEDLO Cc1nc2ccc(NC(=O)[C@H](C)[N@H+]3CCc4ccccc4C3)cn2n1 ZINC000329126936 456839512 /nfs/dbraw/zinc/83/95/12/456839512.db2.gz YUKNVUYOHSZTTF-ZDUSSCGKSA-N 1 2 335.411 3.073 20 30 EGEDLO Cc1nnc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(C)c3)C2)[nH]1 ZINC000329254939 456861693 /nfs/dbraw/zinc/86/16/93/456861693.db2.gz ALZGNTJMVHINAR-HIFRSBDPSA-N 1 2 327.432 3.278 20 30 EGEDLO Cc1nnc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(C)c3)C2)[nH]1 ZINC000329254939 456861697 /nfs/dbraw/zinc/86/16/97/456861697.db2.gz ALZGNTJMVHINAR-HIFRSBDPSA-N 1 2 327.432 3.278 20 30 EGEDLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(C)c3)C2)n1 ZINC000329254939 456861699 /nfs/dbraw/zinc/86/16/99/456861699.db2.gz ALZGNTJMVHINAR-HIFRSBDPSA-N 1 2 327.432 3.278 20 30 EGEDLO Cc1n[nH]c([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(C)c3)C2)n1 ZINC000329254939 456861703 /nfs/dbraw/zinc/86/17/03/456861703.db2.gz ALZGNTJMVHINAR-HIFRSBDPSA-N 1 2 327.432 3.278 20 30 EGEDLO Cc1nc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(C)c3)C2)n[nH]1 ZINC000329254939 456861708 /nfs/dbraw/zinc/86/17/08/456861708.db2.gz ALZGNTJMVHINAR-HIFRSBDPSA-N 1 2 327.432 3.278 20 30 EGEDLO Cc1nc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(C)c3)C2)n[nH]1 ZINC000329254939 456861711 /nfs/dbraw/zinc/86/17/11/456861711.db2.gz ALZGNTJMVHINAR-HIFRSBDPSA-N 1 2 327.432 3.278 20 30 EGEDLO Cc1nnc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccc(Cl)cn3)C2)[nH]1 ZINC000329254989 456862622 /nfs/dbraw/zinc/86/26/22/456862622.db2.gz AMABXDXSUFVKTH-PWSUYJOCSA-N 1 2 348.838 3.018 20 30 EGEDLO Cc1nnc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccc(Cl)cn3)C2)[nH]1 ZINC000329254989 456862625 /nfs/dbraw/zinc/86/26/25/456862625.db2.gz AMABXDXSUFVKTH-PWSUYJOCSA-N 1 2 348.838 3.018 20 30 EGEDLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccc(Cl)cn3)C2)n1 ZINC000329254989 456862627 /nfs/dbraw/zinc/86/26/27/456862627.db2.gz AMABXDXSUFVKTH-PWSUYJOCSA-N 1 2 348.838 3.018 20 30 EGEDLO Cc1n[nH]c([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccc(Cl)cn3)C2)n1 ZINC000329254989 456862631 /nfs/dbraw/zinc/86/26/31/456862631.db2.gz AMABXDXSUFVKTH-PWSUYJOCSA-N 1 2 348.838 3.018 20 30 EGEDLO C=CC[N@@H+](CCC#N)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000292170215 456875671 /nfs/dbraw/zinc/87/56/71/456875671.db2.gz LWDFXFHUJZCCJT-AWEZNQCLSA-N 1 2 327.197 3.023 20 30 EGEDLO C=CC[N@H+](CCC#N)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000292170215 456875674 /nfs/dbraw/zinc/87/56/74/456875674.db2.gz LWDFXFHUJZCCJT-AWEZNQCLSA-N 1 2 327.197 3.023 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1cc(C3CC3)on1)C2 ZINC000329384395 456883284 /nfs/dbraw/zinc/88/32/84/456883284.db2.gz PIQKOCXFJFUOKN-GFCCVEGCSA-N 1 2 328.416 3.366 20 30 EGEDLO C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H]1OCCc2sccc21 ZINC000329409208 456885591 /nfs/dbraw/zinc/88/55/91/456885591.db2.gz BOCJXWCMERZEAY-HWWQOWPSSA-N 1 2 331.441 3.166 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)N1CCC[C@@H]1C(F)F)C2 ZINC000329407307 456885929 /nfs/dbraw/zinc/88/59/29/456885929.db2.gz CFOGGDHYXVJHHG-NWDGAFQWSA-N 1 2 340.418 3.139 20 30 EGEDLO COc1ccc(CC(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)nc1 ZINC000329410814 456886501 /nfs/dbraw/zinc/88/65/01/456886501.db2.gz DBARFDOYYPLMNV-CQSZACIVSA-N 1 2 342.443 3.098 20 30 EGEDLO O=C(Nc1ccc2ccccc2n1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329451314 456893543 /nfs/dbraw/zinc/89/35/43/456893543.db2.gz NAANLFAVPMCPJR-KRWDZBQOSA-N 1 2 325.412 3.466 20 30 EGEDLO O=C(Nc1ccc2ccccc2n1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329451314 456893545 /nfs/dbraw/zinc/89/35/45/456893545.db2.gz NAANLFAVPMCPJR-KRWDZBQOSA-N 1 2 325.412 3.466 20 30 EGEDLO CC[C@@H]1C[C@@H](C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC(=O)N1 ZINC000329463016 456894832 /nfs/dbraw/zinc/89/48/32/456894832.db2.gz TXAAJYNEJUFTSU-HUUCEWRRSA-N 1 2 330.432 3.283 20 30 EGEDLO CC(C)C(=O)NC1CC[NH+](Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000329493117 456900046 /nfs/dbraw/zinc/90/00/46/456900046.db2.gz ZYFSMZSOHZLDHN-UHFFFAOYSA-N 1 2 331.464 3.067 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1C[C@@H]2CCC[C@H]2C1)C1CCOCC1 ZINC000329501326 456901332 /nfs/dbraw/zinc/90/13/32/456901332.db2.gz VYJCTNZUOJKWCZ-YESZJQIVSA-N 1 2 346.475 3.017 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1C[C@]12CCOC2)c1cccc(F)c1 ZINC000329667589 456924601 /nfs/dbraw/zinc/92/46/01/456924601.db2.gz QQBNEPXBTSKNDB-DAYGRLMNSA-N 1 2 329.375 3.032 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c2ccon2)c1 ZINC000349254506 456925695 /nfs/dbraw/zinc/92/56/95/456925695.db2.gz YMYDOXHXNIIRSF-HZPDHXFCSA-N 1 2 340.427 3.277 20 30 EGEDLO CCc1cccc(F)c1C[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000353830912 456927110 /nfs/dbraw/zinc/92/71/10/456927110.db2.gz YRYQVLSOZNAWFT-QVKFZJNVSA-N 1 2 349.409 3.234 20 30 EGEDLO CCc1cccc(F)c1C[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000353830912 456927113 /nfs/dbraw/zinc/92/71/13/456927113.db2.gz YRYQVLSOZNAWFT-QVKFZJNVSA-N 1 2 349.409 3.234 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000345108458 456928508 /nfs/dbraw/zinc/92/85/08/456928508.db2.gz UHKFPKJGBDJJBP-UHFFFAOYSA-N 1 2 337.398 3.002 20 30 EGEDLO C=CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000345108458 456928510 /nfs/dbraw/zinc/92/85/10/456928510.db2.gz UHKFPKJGBDJJBP-UHFFFAOYSA-N 1 2 337.398 3.002 20 30 EGEDLO CC[C@H](NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)c1c(C)nn(C)c1C ZINC000329811484 456944387 /nfs/dbraw/zinc/94/43/87/456944387.db2.gz RIMVYVDRMHSQMJ-GJZGRUSLSA-N 1 2 344.463 3.352 20 30 EGEDLO COc1ccc(F)cc1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341806314 456952473 /nfs/dbraw/zinc/95/24/73/456952473.db2.gz GNZHXZWDVXPQBW-LJQANCHMSA-N 1 2 326.371 3.279 20 30 EGEDLO COc1ccc(F)cc1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341806314 456952476 /nfs/dbraw/zinc/95/24/76/456952476.db2.gz GNZHXZWDVXPQBW-LJQANCHMSA-N 1 2 326.371 3.279 20 30 EGEDLO C[N@@H+](Cc1c(F)cccc1OC(F)(F)F)C[C@@H](O)C(F)(F)F ZINC000349366133 456953554 /nfs/dbraw/zinc/95/35/54/456953554.db2.gz IZTAXWQLMRPPAT-SNVBAGLBSA-N 1 2 335.219 3.079 20 30 EGEDLO C[N@H+](Cc1c(F)cccc1OC(F)(F)F)C[C@@H](O)C(F)(F)F ZINC000349366133 456953559 /nfs/dbraw/zinc/95/35/59/456953559.db2.gz IZTAXWQLMRPPAT-SNVBAGLBSA-N 1 2 335.219 3.079 20 30 EGEDLO CC(C)c1cccc2c1CCN(C([O-])=[NH+][C@@H]1CCn3cc[nH+]c3C1)C2 ZINC000329917079 456960716 /nfs/dbraw/zinc/96/07/16/456960716.db2.gz FBFHSBADJJSKCJ-MRXNPFEDSA-N 1 2 338.455 3.294 20 30 EGEDLO CC(C)c1cccc2c1CCN(C(=O)N[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC000329917079 456960719 /nfs/dbraw/zinc/96/07/19/456960719.db2.gz FBFHSBADJJSKCJ-MRXNPFEDSA-N 1 2 338.455 3.294 20 30 EGEDLO Cc1ccc(NC(=O)NC(=O)C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)cc1C ZINC000329928445 456962686 /nfs/dbraw/zinc/96/26/86/456962686.db2.gz XXOWPHKROSUSKB-WMLDXEAASA-N 1 2 345.443 3.291 20 30 EGEDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)cc1C ZINC000329928445 456962688 /nfs/dbraw/zinc/96/26/88/456962688.db2.gz XXOWPHKROSUSKB-WMLDXEAASA-N 1 2 345.443 3.291 20 30 EGEDLO N#C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1c(Cl)cccc1Cl ZINC000349431380 456967531 /nfs/dbraw/zinc/96/75/31/456967531.db2.gz LRWTWLGALIHGAU-IINYFYTJSA-N 1 2 349.221 3.133 20 30 EGEDLO C=CCOCC[N@@H+](CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000339156297 456968155 /nfs/dbraw/zinc/96/81/55/456968155.db2.gz PBKHSZKBHFKILJ-UHFFFAOYSA-N 1 2 345.270 3.134 20 30 EGEDLO C=CCOCC[N@H+](CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000339156297 456968159 /nfs/dbraw/zinc/96/81/59/456968159.db2.gz PBKHSZKBHFKILJ-UHFFFAOYSA-N 1 2 345.270 3.134 20 30 EGEDLO CCN1CCN(C(=O)NCC(C)(C)C2CCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329986509 456970490 /nfs/dbraw/zinc/97/04/90/456970490.db2.gz FIIIBUNTIHKDRQ-MRXNPFEDSA-N 1 2 347.507 3.219 20 30 EGEDLO Cc1ccc(NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c(C)[nH+]1 ZINC000341862113 456975408 /nfs/dbraw/zinc/97/54/08/456975408.db2.gz KMNFJKXZASSQTI-GOSISDBHSA-N 1 2 336.395 3.176 20 30 EGEDLO N#CC1(F)CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000339183556 456982312 /nfs/dbraw/zinc/98/23/12/456982312.db2.gz AVFGNWOGKFBQMT-UHFFFAOYSA-N 1 2 331.269 3.441 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330097490 456984821 /nfs/dbraw/zinc/98/48/21/456984821.db2.gz AUDDCFIWUXVTSP-HBUWYVDXSA-N 1 2 336.407 3.072 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330097490 456984823 /nfs/dbraw/zinc/98/48/23/456984823.db2.gz AUDDCFIWUXVTSP-HBUWYVDXSA-N 1 2 336.407 3.072 20 30 EGEDLO CC1(C)C[C@H]([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)c2ccccc2O1 ZINC000330188556 456998046 /nfs/dbraw/zinc/99/80/46/456998046.db2.gz LFMUMUMAUUYCAN-HIFRSBDPSA-N 1 2 340.427 3.004 20 30 EGEDLO CC1(C)C[C@H](NC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc2O1 ZINC000330188556 456998050 /nfs/dbraw/zinc/99/80/50/456998050.db2.gz LFMUMUMAUUYCAN-HIFRSBDPSA-N 1 2 340.427 3.004 20 30 EGEDLO O=C(N[C@@H]1CCCSC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000330206971 457002575 /nfs/dbraw/zinc/00/25/75/457002575.db2.gz FSEWEXCEOTVBGV-OAHLLOKOSA-N 1 2 348.516 3.208 20 30 EGEDLO O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000330240529 457010099 /nfs/dbraw/zinc/01/00/99/457010099.db2.gz BNKYAEHXHPGPQB-JFIYKMOQSA-N 1 2 325.412 3.180 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000330274236 457018495 /nfs/dbraw/zinc/01/84/95/457018495.db2.gz JUCNLSGWWLAGAK-GJZGRUSLSA-N 1 2 334.464 3.302 20 30 EGEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000330346568 457033043 /nfs/dbraw/zinc/03/30/43/457033043.db2.gz GSUBRQWBPYTRLM-QAPCUYQASA-N 1 2 336.439 3.408 20 30 EGEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000330346568 457033050 /nfs/dbraw/zinc/03/30/50/457033050.db2.gz GSUBRQWBPYTRLM-QAPCUYQASA-N 1 2 336.439 3.408 20 30 EGEDLO CC[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1cc(F)ccc1F ZINC000341981108 457039581 /nfs/dbraw/zinc/03/95/81/457039581.db2.gz ITZQQKJWUUMLFE-IAGOWNOFSA-N 1 2 329.350 3.104 20 30 EGEDLO N#CCC[C@@H](NC(=O)NCc1cn2ccccc2[nH+]1)c1ccccc1 ZINC000359284853 457071684 /nfs/dbraw/zinc/07/16/84/457071684.db2.gz LZXFCGSWTBKKTD-QGZVFWFLSA-N 1 2 333.395 3.179 20 30 EGEDLO C=CCOc1ccc(-c2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)cc1 ZINC000349838611 457072388 /nfs/dbraw/zinc/07/23/88/457072388.db2.gz JVDZFKFGJAIJRX-INIZCTEOSA-N 1 2 329.400 3.083 20 30 EGEDLO C=CCOc1ccc(-c2nc([C@@H]3C[N@@H+](C(C)C)CCO3)no2)cc1 ZINC000349838611 457072393 /nfs/dbraw/zinc/07/23/93/457072393.db2.gz JVDZFKFGJAIJRX-INIZCTEOSA-N 1 2 329.400 3.083 20 30 EGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000359360330 457076684 /nfs/dbraw/zinc/07/66/84/457076684.db2.gz MIJFFZUARYIUGG-LBPRGKRZSA-N 1 2 344.440 3.240 20 30 EGEDLO C=CC1CCN(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)CC1 ZINC000362759698 457081147 /nfs/dbraw/zinc/08/11/47/457081147.db2.gz QNZKTESBEUWRKW-QGZVFWFLSA-N 1 2 342.418 3.256 20 30 EGEDLO CCC[C@H](O)CNC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000330786282 457086156 /nfs/dbraw/zinc/08/61/56/457086156.db2.gz VKUKZNSRPQQHFM-ZBFHGGJFSA-N 1 2 334.464 3.256 20 30 EGEDLO N#Cc1ccnc(N2CC[NH+](C/C=C/c3ccc(F)cc3F)CC2)c1 ZINC000349959720 457121648 /nfs/dbraw/zinc/12/16/48/457121648.db2.gz DLLYXCUUXSNHOW-OWOJBTEDSA-N 1 2 340.377 3.067 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)s1)c1ccc(F)cc1 ZINC000362896673 457145618 /nfs/dbraw/zinc/14/56/18/457145618.db2.gz RDLYMENOOPRGDL-HNNXBMFYSA-N 1 2 340.383 3.012 20 30 EGEDLO CC(C)CC(C)(C)CNC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000331210741 457146138 /nfs/dbraw/zinc/14/61/38/457146138.db2.gz IEWMWXOOZIUYPY-GDBMZVCRSA-N 1 2 336.480 3.216 20 30 EGEDLO Cc1cc[nH+]c(C)c1NC(=O)C[C@@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000331245770 457153113 /nfs/dbraw/zinc/15/31/13/457153113.db2.gz SIFYXNSCTVCXMW-INIZCTEOSA-N 1 2 346.475 3.309 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(C#N)c1 ZINC000359942839 457161895 /nfs/dbraw/zinc/16/18/95/457161895.db2.gz XGFVHRDUDJUZOX-INIZCTEOSA-N 1 2 349.434 3.133 20 30 EGEDLO CC(C)C(C)(C)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000331307916 457164501 /nfs/dbraw/zinc/16/45/01/457164501.db2.gz WLMZPUMIPJDUDM-UHFFFAOYSA-N 1 2 342.487 3.272 20 30 EGEDLO Cc1cccc2[nH+]c(CNc3nc4cc(Cl)ccn4c3C#N)cn21 ZINC000342218237 457175555 /nfs/dbraw/zinc/17/55/55/457175555.db2.gz GZEXEVKQPUKWCE-UHFFFAOYSA-N 1 2 336.786 3.428 20 30 EGEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)CCCC#N)CC1 ZINC000360345531 457304123 /nfs/dbraw/zinc/30/41/23/457304123.db2.gz NYKZHJITRXIDRC-QGZVFWFLSA-N 1 2 335.398 3.254 20 30 EGEDLO CCCCCCCCC(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000360371741 457305791 /nfs/dbraw/zinc/30/57/91/457305791.db2.gz MTDLAJBAECQBDU-UHFFFAOYSA-N 1 2 334.508 3.205 20 30 EGEDLO CCCCCCCCC(=O)N1CCC[N@H+](Cc2nccn2C)CC1 ZINC000360371741 457305798 /nfs/dbraw/zinc/30/57/98/457305798.db2.gz MTDLAJBAECQBDU-UHFFFAOYSA-N 1 2 334.508 3.205 20 30 EGEDLO CCCCCCCCC(=O)N1CCC[N@@H+](Cc2nccn2C)CC1 ZINC000360371741 457305804 /nfs/dbraw/zinc/30/58/04/457305804.db2.gz MTDLAJBAECQBDU-UHFFFAOYSA-N 1 2 334.508 3.205 20 30 EGEDLO CC(C)(CCC#N)CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000360421395 457308379 /nfs/dbraw/zinc/30/83/79/457308379.db2.gz COQYWYZMFILFML-KRWDZBQOSA-N 1 2 345.512 3.223 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1OC ZINC000354730094 457317113 /nfs/dbraw/zinc/31/71/13/457317113.db2.gz ZFKUGGAQKJGBLM-PMACEKPBSA-N 1 2 329.440 3.403 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1OC ZINC000354730094 457317120 /nfs/dbraw/zinc/31/71/20/457317120.db2.gz ZFKUGGAQKJGBLM-PMACEKPBSA-N 1 2 329.440 3.403 20 30 EGEDLO C=CCCC1(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC1 ZINC000355121222 457342818 /nfs/dbraw/zinc/34/28/18/457342818.db2.gz HOUPXGZHEWQLFE-UHFFFAOYSA-N 1 2 327.472 3.119 20 30 EGEDLO Cn1c[nH+]cc1CNC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000355270860 457352232 /nfs/dbraw/zinc/35/22/32/457352232.db2.gz SJXXJDBGADMQSI-UHFFFAOYSA-N 1 2 348.431 3.373 20 30 EGEDLO CC[N@@H+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)C[C@H](C)C#N ZINC000355431262 457372694 /nfs/dbraw/zinc/37/26/94/457372694.db2.gz ADBUJUDKGVARGU-CQSZACIVSA-N 1 2 341.377 3.059 20 30 EGEDLO CC[N@H+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)C[C@H](C)C#N ZINC000355431262 457372698 /nfs/dbraw/zinc/37/26/98/457372698.db2.gz ADBUJUDKGVARGU-CQSZACIVSA-N 1 2 341.377 3.059 20 30 EGEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000378333685 457389781 /nfs/dbraw/zinc/38/97/81/457389781.db2.gz OAOBUNTVOWSSCY-SFHVURJKSA-N 1 2 338.455 3.401 20 30 EGEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000378333685 457389789 /nfs/dbraw/zinc/38/97/89/457389789.db2.gz OAOBUNTVOWSSCY-SFHVURJKSA-N 1 2 338.455 3.401 20 30 EGEDLO C=CCCC1(C(=O)NC[C@@H]2C[C@@H](F)C[N@H+]2Cc2c(C)noc2C)CC1 ZINC000356084571 457447177 /nfs/dbraw/zinc/44/71/77/457447177.db2.gz DNGFGZBRGNHEKO-CVEARBPZSA-N 1 2 349.450 3.066 20 30 EGEDLO C=CCCC1(C(=O)NC[C@@H]2C[C@@H](F)C[N@@H+]2Cc2c(C)noc2C)CC1 ZINC000356084571 457447180 /nfs/dbraw/zinc/44/71/80/457447180.db2.gz DNGFGZBRGNHEKO-CVEARBPZSA-N 1 2 349.450 3.066 20 30 EGEDLO COc1ccc(C(=O)C2CCN(c3cc(C)[nH+]cc3C#N)CC2)cc1 ZINC000425203242 457461217 /nfs/dbraw/zinc/46/12/17/457461217.db2.gz DYKUCWIOAUGADL-UHFFFAOYSA-N 1 2 335.407 3.370 20 30 EGEDLO N#CC1(NC(=O)C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2F)CCC1 ZINC000363892508 457462075 /nfs/dbraw/zinc/46/20/75/457462075.db2.gz LZCSEBYOUHTGQU-MRXNPFEDSA-N 1 2 333.382 3.054 20 30 EGEDLO N#CC1(NC(=O)C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2F)CCC1 ZINC000363892508 457462078 /nfs/dbraw/zinc/46/20/78/457462078.db2.gz LZCSEBYOUHTGQU-MRXNPFEDSA-N 1 2 333.382 3.054 20 30 EGEDLO C[C@@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000342782807 457524390 /nfs/dbraw/zinc/52/43/90/457524390.db2.gz SWJUMUDIGLFZNO-INIZCTEOSA-N 1 2 327.472 3.275 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccccc1C(C)=O ZINC000352699998 457540943 /nfs/dbraw/zinc/54/09/43/457540943.db2.gz JLVNAFHPONZOBK-UHFFFAOYSA-N 1 2 326.396 3.151 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccccc1C(C)=O ZINC000352699998 457540948 /nfs/dbraw/zinc/54/09/48/457540948.db2.gz JLVNAFHPONZOBK-UHFFFAOYSA-N 1 2 326.396 3.151 20 30 EGEDLO C=C(Cl)CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000374329723 457587209 /nfs/dbraw/zinc/58/72/09/457587209.db2.gz MKUXFYLLUFXKGI-UHFFFAOYSA-N 1 2 328.803 3.476 20 30 EGEDLO Cc1cnn(CCCCC[N@@H+]2CCC[C@]3(CCCCO3)[C@@H]2C#N)c1 ZINC000364818129 457699346 /nfs/dbraw/zinc/69/93/46/457699346.db2.gz VKKNAPKMPGVCLH-RBUKOAKNSA-N 1 2 330.476 3.289 20 30 EGEDLO Cc1cnn(CCCCC[N@H+]2CCC[C@]3(CCCCO3)[C@@H]2C#N)c1 ZINC000364818129 457699347 /nfs/dbraw/zinc/69/93/47/457699347.db2.gz VKKNAPKMPGVCLH-RBUKOAKNSA-N 1 2 330.476 3.289 20 30 EGEDLO N#CCC[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000370873612 457732006 /nfs/dbraw/zinc/73/20/06/457732006.db2.gz SBAOULSYVOFPTN-IRXDYDNUSA-N 1 2 337.427 3.344 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1sccc1C#N ZINC000361444332 457734293 /nfs/dbraw/zinc/73/42/93/457734293.db2.gz MLMLLPQZYAOYKG-UHFFFAOYSA-N 1 2 332.335 3.195 20 30 EGEDLO C=CCOc1ccccc1C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000370954157 457743149 /nfs/dbraw/zinc/74/31/49/457743149.db2.gz RBFSDXPPYFKTJT-HNNXBMFYSA-N 1 2 325.412 3.064 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000411175472 457820029 /nfs/dbraw/zinc/82/00/29/457820029.db2.gz DLNUMBUAWUNRKC-AWEZNQCLSA-N 1 2 329.400 3.007 20 30 EGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000411175472 457820037 /nfs/dbraw/zinc/82/00/37/457820037.db2.gz DLNUMBUAWUNRKC-AWEZNQCLSA-N 1 2 329.400 3.007 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1nccs1 ZINC000411180696 457821527 /nfs/dbraw/zinc/82/15/27/457821527.db2.gz SGFKMNIAGVWJJF-ZDUSSCGKSA-N 1 2 331.441 3.167 20 30 EGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1nccs1 ZINC000411180696 457821533 /nfs/dbraw/zinc/82/15/33/457821533.db2.gz SGFKMNIAGVWJJF-ZDUSSCGKSA-N 1 2 331.441 3.167 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc(F)cc1C#N ZINC000361778863 457854698 /nfs/dbraw/zinc/85/46/98/457854698.db2.gz JBNKWDMCPFQIMO-UHFFFAOYSA-N 1 2 344.296 3.272 20 30 EGEDLO N#C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)c(Cl)c1 ZINC000375317672 457879394 /nfs/dbraw/zinc/87/93/94/457879394.db2.gz FWQHWMCJIXQTQD-RISCZKNCSA-N 1 2 349.221 3.133 20 30 EGEDLO N#Cc1ccc(CN2CCC[C@H]2c2[nH]cc[nH+]2)c(Br)c1 ZINC000367933461 457999219 /nfs/dbraw/zinc/99/92/19/457999219.db2.gz YDYVUIYFVGJZQA-AWEZNQCLSA-N 1 2 331.217 3.381 20 30 EGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)Cc1ccc(C#N)cc1 ZINC000362018747 458007505 /nfs/dbraw/zinc/00/75/05/458007505.db2.gz NWDUCYNQTXPYJS-UHFFFAOYSA-N 1 2 344.418 3.004 20 30 EGEDLO Cc1[nH+]c[nH]c1CNC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000358599637 458100827 /nfs/dbraw/zinc/10/08/27/458100827.db2.gz QEICSQWJLXSCQD-UHFFFAOYSA-N 1 2 346.390 3.099 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000369229018 458133606 /nfs/dbraw/zinc/13/36/06/458133606.db2.gz HTZNMIQRJSASNY-SUMWQHHRSA-N 1 2 335.398 3.110 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000369229018 458133613 /nfs/dbraw/zinc/13/36/13/458133613.db2.gz HTZNMIQRJSASNY-SUMWQHHRSA-N 1 2 335.398 3.110 20 30 EGEDLO CC(C)N(C(=O)C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1)C(C)C ZINC000362436424 458174176 /nfs/dbraw/zinc/17/41/76/458174176.db2.gz GERTVEWIAFGXTI-MOPGFXCFSA-N 1 2 327.472 3.404 20 30 EGEDLO CC(C)N(C(=O)C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1)C(C)C ZINC000362436424 458174184 /nfs/dbraw/zinc/17/41/84/458174184.db2.gz GERTVEWIAFGXTI-MOPGFXCFSA-N 1 2 327.472 3.404 20 30 EGEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1F)C1CC1 ZINC000372103324 458194642 /nfs/dbraw/zinc/19/46/42/458194642.db2.gz SYSJKMPXUFXSLS-IEBWSBKVSA-N 1 2 347.409 3.300 20 30 EGEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F)C1CC1 ZINC000372103324 458194650 /nfs/dbraw/zinc/19/46/50/458194650.db2.gz SYSJKMPXUFXSLS-IEBWSBKVSA-N 1 2 347.409 3.300 20 30 EGEDLO C=CC[C@H](CC)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000376126343 458205265 /nfs/dbraw/zinc/20/52/65/458205265.db2.gz CCIGNDPEWWRCTI-WMLDXEAASA-N 1 2 342.443 3.172 20 30 EGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000413812012 458307220 /nfs/dbraw/zinc/30/72/20/458307220.db2.gz BKPYBHSLXVKFES-SFHVURJKSA-N 1 2 338.455 3.417 20 30 EGEDLO CCOc1cc(C[NH+]2CCC(C#N)(COC)CC2)cc(Cl)c1O ZINC000459526436 458399748 /nfs/dbraw/zinc/39/97/48/458399748.db2.gz OCNLWIPSBPNENH-UHFFFAOYSA-N 1 2 338.835 3.196 20 30 EGEDLO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2nc3cccc(Br)c3[nH]2)C1 ZINC000449770647 458431008 /nfs/dbraw/zinc/43/10/08/458431008.db2.gz DGOCJYXICAEXLG-GHMZBOCLSA-N 1 2 333.233 3.497 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@]2(C#N)C[C@@H]2C)CC1 ZINC000449966751 458436285 /nfs/dbraw/zinc/43/62/85/458436285.db2.gz RNIAQKMEVBOTPE-IYOUNJFTSA-N 1 2 331.847 3.095 20 30 EGEDLO N#CC1(NC(=O)C[N@@H+]2CCc3cccc(Cl)c3C2)CCCCC1 ZINC000459669857 458442091 /nfs/dbraw/zinc/44/20/91/458442091.db2.gz GMKKXKDUSGVGLJ-UHFFFAOYSA-N 1 2 331.847 3.041 20 30 EGEDLO N#CC1(NC(=O)C[N@H+]2CCc3cccc(Cl)c3C2)CCCCC1 ZINC000459669857 458442093 /nfs/dbraw/zinc/44/20/93/458442093.db2.gz GMKKXKDUSGVGLJ-UHFFFAOYSA-N 1 2 331.847 3.041 20 30 EGEDLO CC[N@@H+]1CC[C@H](Nc2nccc(C#N)n2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000450444362 458448985 /nfs/dbraw/zinc/44/89/85/458448985.db2.gz XGOQAGHXJZVPPU-HOCLYGCPSA-N 1 2 347.344 3.013 20 30 EGEDLO CC[N@H+]1CC[C@H](Nc2nccc(C#N)n2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000450444362 458448990 /nfs/dbraw/zinc/44/89/90/458448990.db2.gz XGOQAGHXJZVPPU-HOCLYGCPSA-N 1 2 347.344 3.013 20 30 EGEDLO CC(C)c1nnc(C[N@H+](C)CCOCc2ccc(C#N)cc2)s1 ZINC000451044534 458463755 /nfs/dbraw/zinc/46/37/55/458463755.db2.gz VOGWEARYQOUBRL-UHFFFAOYSA-N 1 2 330.457 3.182 20 30 EGEDLO CC(C)c1nnc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)s1 ZINC000451044534 458463762 /nfs/dbraw/zinc/46/37/62/458463762.db2.gz VOGWEARYQOUBRL-UHFFFAOYSA-N 1 2 330.457 3.182 20 30 EGEDLO C=CCOc1ccc(C(=O)Nc2c[nH+]c3n2CCCC3)cc1OC ZINC000452336248 458500102 /nfs/dbraw/zinc/50/01/02/458500102.db2.gz URFCTQRLJAURKW-UHFFFAOYSA-N 1 2 327.384 3.045 20 30 EGEDLO C=CCOc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc1 ZINC000452451396 458500993 /nfs/dbraw/zinc/50/09/93/458500993.db2.gz LDPNDQAJJFMEOV-INIZCTEOSA-N 1 2 325.412 3.208 20 30 EGEDLO C=C(CC)CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000454513061 458564815 /nfs/dbraw/zinc/56/48/15/458564815.db2.gz QNXBEYXRPPNXJF-IYBDPMFKSA-N 1 2 331.460 3.384 20 30 EGEDLO C=C(CC)CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000454513061 458564819 /nfs/dbraw/zinc/56/48/19/458564819.db2.gz QNXBEYXRPPNXJF-IYBDPMFKSA-N 1 2 331.460 3.384 20 30 EGEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000455205831 458588625 /nfs/dbraw/zinc/58/86/25/458588625.db2.gz OJYLXDGKPHPSCB-UHFFFAOYSA-N 1 2 336.439 3.187 20 30 EGEDLO C=CCn1cc(C[NH2+][C@@H](CC)c2ccccc2Br)nn1 ZINC000424298886 458607522 /nfs/dbraw/zinc/60/75/22/458607522.db2.gz UJCFFYZMUUZQSM-HNNXBMFYSA-N 1 2 335.249 3.468 20 30 EGEDLO N#Cc1c(Br)cccc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000378058849 458615326 /nfs/dbraw/zinc/61/53/26/458615326.db2.gz MSOQQAKKYLMLSJ-GFCCVEGCSA-N 1 2 331.217 3.359 20 30 EGEDLO N#Cc1ccccc1N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000506355684 458751556 /nfs/dbraw/zinc/75/15/56/458751556.db2.gz JEIJCMDZQRGGBQ-VMPITWQZSA-N 1 2 348.406 3.302 20 30 EGEDLO CC(C)Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000510948354 458777818 /nfs/dbraw/zinc/77/78/18/458777818.db2.gz DXCDXQZTCPSDGF-INIZCTEOSA-N 1 2 345.462 3.390 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)Cc1ccc(CO)o1 ZINC000512221554 458784669 /nfs/dbraw/zinc/78/46/69/458784669.db2.gz ZAIGMDUNMQMBSX-FRQCXROJSA-N 1 2 348.487 3.091 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)Cc1ccc(CO)o1 ZINC000512221554 458784676 /nfs/dbraw/zinc/78/46/76/458784676.db2.gz ZAIGMDUNMQMBSX-FRQCXROJSA-N 1 2 348.487 3.091 20 30 EGEDLO CCN1CCN(c2cc(C#N)ccc2C(F)(F)F)C[C@H]1c1[nH]cc[nH+]1 ZINC000530534079 458786311 /nfs/dbraw/zinc/78/63/11/458786311.db2.gz SLHHZWSCKOYWTA-HNNXBMFYSA-N 1 2 349.360 3.183 20 30 EGEDLO C=CC[NH+]1CCC(Nc2c(C(=O)[O-])c[nH+]c3c(OC)cccc23)CC1 ZINC000516773021 458822301 /nfs/dbraw/zinc/82/23/01/458822301.db2.gz LJZWUTUZWYLVJX-UHFFFAOYSA-N 1 2 341.411 3.004 20 30 EGEDLO CCC1CCC([NH2+]CCOc2ccc(C#N)cc2)(C(=O)OC)CC1 ZINC000440916067 458864934 /nfs/dbraw/zinc/86/49/34/458864934.db2.gz RKNGSIJGGGDRAE-UHFFFAOYSA-N 1 2 330.428 3.039 20 30 EGEDLO C[C@H]1CCCC[C@@H]1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000518737741 458888604 /nfs/dbraw/zinc/88/86/04/458888604.db2.gz WUHBHCGGMPDYKV-FXAWDEMLSA-N 1 2 339.483 3.419 20 30 EGEDLO C=CC[C@H](CC)NC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000466390249 458897120 /nfs/dbraw/zinc/89/71/20/458897120.db2.gz HIKRSCDYVIJHSO-WMZOPIPTSA-N 1 2 345.487 3.438 20 30 EGEDLO COc1cc(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)ccc1C#N ZINC000442859934 459046731 /nfs/dbraw/zinc/04/67/31/459046731.db2.gz YBGBTMVLVQGOAG-HXUWFJFHSA-N 1 2 336.435 3.400 20 30 EGEDLO COc1cc(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)ccc1C#N ZINC000442859934 459046735 /nfs/dbraw/zinc/04/67/35/459046735.db2.gz YBGBTMVLVQGOAG-HXUWFJFHSA-N 1 2 336.435 3.400 20 30 EGEDLO N#C[C@H]1CN(c2ccc3c(Cl)c4c([nH+]c3c2)CCCC4)CCO1 ZINC000577551274 459049041 /nfs/dbraw/zinc/04/90/41/459049041.db2.gz JUXCWIKRCKAVNP-ZDUSSCGKSA-N 1 2 327.815 3.496 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)C[C@H]1NC(=O)OC(C)(C)C ZINC000496091436 459063551 /nfs/dbraw/zinc/06/35/51/459063551.db2.gz PIVNTPCTUDNBIA-MLGOLLRUSA-N 1 2 333.407 3.042 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)C[C@H]1NC(=O)OC(C)(C)C ZINC000496091436 459063557 /nfs/dbraw/zinc/06/35/57/459063557.db2.gz PIVNTPCTUDNBIA-MLGOLLRUSA-N 1 2 333.407 3.042 20 30 EGEDLO Cc1cc(N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c(C#N)c[nH+]1 ZINC000496115253 459072392 /nfs/dbraw/zinc/07/23/92/459072392.db2.gz ORNZRWFOXADWST-IUODEOHRSA-N 1 2 330.432 3.001 20 30 EGEDLO N#Cc1ccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1F ZINC000567284832 459079957 /nfs/dbraw/zinc/07/99/57/459079957.db2.gz DOCZTPUFNQYFON-UHFFFAOYSA-N 1 2 344.415 3.109 20 30 EGEDLO Cc1[nH+]c2cc(CNC(=O)Cc3cccc(C#N)c3)ccc2n1C1CC1 ZINC000567449477 459106639 /nfs/dbraw/zinc/10/66/39/459106639.db2.gz JOJRHFXZNXZOLQ-UHFFFAOYSA-N 1 2 344.418 3.410 20 30 EGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc[nH+]cc1C ZINC000478970714 459116026 /nfs/dbraw/zinc/11/60/26/459116026.db2.gz YFFSSYIRIQGWGM-UHFFFAOYSA-N 1 2 327.432 3.200 20 30 EGEDLO CC(C)(C)C(=O)N1CCC[C@H](C[N@H+](CCC#N)Cc2ccco2)C1 ZINC000590603050 459159733 /nfs/dbraw/zinc/15/97/33/459159733.db2.gz LQPSYVNXUZRGID-MRXNPFEDSA-N 1 2 331.460 3.280 20 30 EGEDLO CC(C)(C)C(=O)N1CCC[C@H](C[N@@H+](CCC#N)Cc2ccco2)C1 ZINC000590603050 459159737 /nfs/dbraw/zinc/15/97/37/459159737.db2.gz LQPSYVNXUZRGID-MRXNPFEDSA-N 1 2 331.460 3.280 20 30 EGEDLO CC[C@@H](C)[N@@H+](Cc1ccc(C#N)cn1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000567747853 459160766 /nfs/dbraw/zinc/16/07/66/459160766.db2.gz BLLHKYCFUCLJKL-CQSZACIVSA-N 1 2 347.422 3.403 20 30 EGEDLO CC[C@@H](C)[N@H+](Cc1ccc(C#N)cn1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000567747853 459160772 /nfs/dbraw/zinc/16/07/72/459160772.db2.gz BLLHKYCFUCLJKL-CQSZACIVSA-N 1 2 347.422 3.403 20 30 EGEDLO CC(=O)N(c1nc(C[NH+]2CCC(CCC#N)CC2)cs1)C1CC1 ZINC000521997644 459200736 /nfs/dbraw/zinc/20/07/36/459200736.db2.gz SETFYYAQIXYBQS-UHFFFAOYSA-N 1 2 332.473 3.174 20 30 EGEDLO Cc1cc(Cl)c2ncc(C#N)c(NCC[N@@H+]3CCO[C@H](C)C3)c2c1 ZINC000558786225 459210295 /nfs/dbraw/zinc/21/02/95/459210295.db2.gz HVGHUDAIJGPJJR-CYBMUJFWSA-N 1 2 344.846 3.201 20 30 EGEDLO Cc1cc(Cl)c2ncc(C#N)c(NCC[N@H+]3CCO[C@H](C)C3)c2c1 ZINC000558786225 459210301 /nfs/dbraw/zinc/21/03/01/459210301.db2.gz HVGHUDAIJGPJJR-CYBMUJFWSA-N 1 2 344.846 3.201 20 30 EGEDLO N#CC1(C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000580691455 459263255 /nfs/dbraw/zinc/26/32/55/459263255.db2.gz WQAOGTDXQWTWMY-UHFFFAOYSA-N 1 2 334.345 3.344 20 30 EGEDLO N#CCCC1CC[NH+](CC(=O)Nc2nc3ccc(F)cc3s2)CC1 ZINC000582298915 459342522 /nfs/dbraw/zinc/34/25/22/459342522.db2.gz JNOHZQANNGCUAH-UHFFFAOYSA-N 1 2 346.431 3.390 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000524271207 459354554 /nfs/dbraw/zinc/35/45/54/459354554.db2.gz BXXQHFCVTMJTPO-UHFFFAOYSA-N 1 2 325.437 3.462 20 30 EGEDLO CC(C)[N@H+](CCC#N)Cc1cc(Br)c2c(c1)OCCO2 ZINC000536646065 459361541 /nfs/dbraw/zinc/36/15/41/459361541.db2.gz WCVISHFTWZOLJF-UHFFFAOYSA-N 1 2 339.233 3.344 20 30 EGEDLO CC(C)[N@@H+](CCC#N)Cc1cc(Br)c2c(c1)OCCO2 ZINC000536646065 459361546 /nfs/dbraw/zinc/36/15/46/459361546.db2.gz WCVISHFTWZOLJF-UHFFFAOYSA-N 1 2 339.233 3.344 20 30 EGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c1C ZINC000595611546 459367119 /nfs/dbraw/zinc/36/71/19/459367119.db2.gz KPPSHNHXUGZCDN-SFHVURJKSA-N 1 2 338.455 3.176 20 30 EGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c1C ZINC000595611546 459367125 /nfs/dbraw/zinc/36/71/25/459367125.db2.gz KPPSHNHXUGZCDN-SFHVURJKSA-N 1 2 338.455 3.176 20 30 EGEDLO C=CCCC[C@H](C)NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000540488286 459382083 /nfs/dbraw/zinc/38/20/83/459382083.db2.gz PYOWAUHGTAOLRF-SFHVURJKSA-N 1 2 345.487 3.137 20 30 EGEDLO CN(C(=O)C[N@@H+]1CCc2cc(Cl)ccc2C1)C1(C#N)CCCCC1 ZINC000484008489 459400900 /nfs/dbraw/zinc/40/09/00/459400900.db2.gz OTEHNPOYHHFRMG-UHFFFAOYSA-N 1 2 345.874 3.383 20 30 EGEDLO CN(C(=O)C[N@H+]1CCc2cc(Cl)ccc2C1)C1(C#N)CCCCC1 ZINC000484008489 459400908 /nfs/dbraw/zinc/40/09/08/459400908.db2.gz OTEHNPOYHHFRMG-UHFFFAOYSA-N 1 2 345.874 3.383 20 30 EGEDLO C[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)[C@H]1CCO ZINC000595697580 459401447 /nfs/dbraw/zinc/40/14/47/459401447.db2.gz LTXUIMFETBTLKA-WBMJQRKESA-N 1 2 337.261 3.304 20 30 EGEDLO C[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)[C@H]1CCO ZINC000595697580 459401452 /nfs/dbraw/zinc/40/14/52/459401452.db2.gz LTXUIMFETBTLKA-WBMJQRKESA-N 1 2 337.261 3.304 20 30 EGEDLO COc1ccccc1-c1noc(C2CC[NH+](CC3(C#N)CC3)CC2)n1 ZINC000583002123 459463521 /nfs/dbraw/zinc/46/35/21/459463521.db2.gz IQYBCIHFZQOXFZ-UHFFFAOYSA-N 1 2 338.411 3.228 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CCSC[C@H]2C2CC2)c(C#N)c1C ZINC000569676065 459491452 /nfs/dbraw/zinc/49/14/52/459491452.db2.gz AKJPUXKEYYRRTA-AWEZNQCLSA-N 1 2 335.498 3.003 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CCSC[C@H]2C2CC2)c(C#N)c1C ZINC000569676065 459491457 /nfs/dbraw/zinc/49/14/57/459491457.db2.gz AKJPUXKEYYRRTA-AWEZNQCLSA-N 1 2 335.498 3.003 20 30 EGEDLO Cn1c2ccccc2[nH+]c1N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000541868853 459502523 /nfs/dbraw/zinc/50/25/23/459502523.db2.gz AHWGKYVHLDREDN-QGZVFWFLSA-N 1 2 345.406 3.052 20 30 EGEDLO C=CC[C@@H](CO)CNC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000541878902 459504788 /nfs/dbraw/zinc/50/47/88/459504788.db2.gz LXMPBBXCJMFRBP-JKSUJKDBSA-N 1 2 346.475 3.075 20 30 EGEDLO C[C@@H](c1cccc(NC(=O)c2ccc(C#N)s2)c1)[NH+]1CCOCC1 ZINC000487279813 459528776 /nfs/dbraw/zinc/52/87/76/459528776.db2.gz OZJLCFFFFNKWKH-ZDUSSCGKSA-N 1 2 341.436 3.265 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000488813231 459552188 /nfs/dbraw/zinc/55/21/88/459552188.db2.gz FISRWXKXHAVLSV-FUHWJXTLSA-N 1 2 345.393 3.128 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000488813231 459552192 /nfs/dbraw/zinc/55/21/92/459552192.db2.gz FISRWXKXHAVLSV-FUHWJXTLSA-N 1 2 345.393 3.128 20 30 EGEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1 ZINC000489468119 459566391 /nfs/dbraw/zinc/56/63/91/459566391.db2.gz ACJBJXUEYSOVOM-INIZCTEOSA-N 1 2 342.418 3.299 20 30 EGEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1 ZINC000489468119 459566393 /nfs/dbraw/zinc/56/63/93/459566393.db2.gz ACJBJXUEYSOVOM-INIZCTEOSA-N 1 2 342.418 3.299 20 30 EGEDLO C=CCC(C)(C)CNC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000489912427 459572697 /nfs/dbraw/zinc/57/26/97/459572697.db2.gz VOVOQJULBFRCEU-INIZCTEOSA-N 1 2 347.478 3.055 20 30 EGEDLO N#CCCN(C(=O)C[N@@H+]1CCC=C(c2ccccn2)C1)c1ccccc1 ZINC000572300623 459579368 /nfs/dbraw/zinc/57/93/68/459579368.db2.gz HFWSZGXRXWSZJA-UHFFFAOYSA-N 1 2 346.434 3.118 20 30 EGEDLO N#CCCN(C(=O)C[N@H+]1CCC=C(c2ccccn2)C1)c1ccccc1 ZINC000572300623 459579375 /nfs/dbraw/zinc/57/93/75/459579375.db2.gz HFWSZGXRXWSZJA-UHFFFAOYSA-N 1 2 346.434 3.118 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1ccc2c(c1)NC(=O)CO2)c1ccc(Cl)cc1F ZINC000491179717 459602898 /nfs/dbraw/zinc/60/28/98/459602898.db2.gz HEMGFXXRGSBPET-OAHLLOKOSA-N 1 2 344.773 3.274 20 30 EGEDLO N#Cc1sccc1N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000596353579 459605826 /nfs/dbraw/zinc/60/58/26/459605826.db2.gz YUUGFFZOPSXIBO-UHFFFAOYSA-N 1 2 338.358 3.360 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)/C=C/c1cccc(C#N)c1)C2 ZINC000491400946 459623438 /nfs/dbraw/zinc/62/34/38/459623438.db2.gz LEFPIFDPKSPPJX-JEJOPICUSA-N 1 2 348.450 3.197 20 30 EGEDLO C#C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(Br)cc1 ZINC000491672593 459651330 /nfs/dbraw/zinc/65/13/30/459651330.db2.gz PQXCODQXYBABOC-WFASDCNBSA-N 1 2 346.228 3.087 20 30 EGEDLO C#C[C@@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccc(F)cc1 ZINC000491703783 459657385 /nfs/dbraw/zinc/65/73/85/459657385.db2.gz XPMPJOINHBKROX-HXUWFJFHSA-N 1 2 347.393 3.104 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cn(-c3ccccc3)nc2C)n1 ZINC000491783775 459673166 /nfs/dbraw/zinc/67/31/66/459673166.db2.gz RUCKRAQZUJUOCL-UHFFFAOYSA-N 1 2 333.439 3.033 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cn(-c3ccccc3)nc2C)n1 ZINC000491783775 459673173 /nfs/dbraw/zinc/67/31/73/459673173.db2.gz RUCKRAQZUJUOCL-UHFFFAOYSA-N 1 2 333.439 3.033 20 30 EGEDLO CCC(C#N)(CC)C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000527693669 459702663 /nfs/dbraw/zinc/70/26/63/459702663.db2.gz XYDJJINGFOFVET-UHFFFAOYSA-N 1 2 333.863 3.314 20 30 EGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)/C=C\c1[nH+]ccn1CC ZINC000492917682 459725421 /nfs/dbraw/zinc/72/54/21/459725421.db2.gz DHWQNUOZAPGEQZ-FPLPWBNLSA-N 1 2 341.459 3.299 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000563350493 459764029 /nfs/dbraw/zinc/76/40/29/459764029.db2.gz OOVVJKPJDJEVRC-OAHLLOKOSA-N 1 2 341.430 3.256 20 30 EGEDLO COc1ccc(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)cc1C#N ZINC000544529960 459765475 /nfs/dbraw/zinc/76/54/75/459765475.db2.gz OWECXTAWJUZXMT-HXUWFJFHSA-N 1 2 336.435 3.400 20 30 EGEDLO COc1ccc(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)cc1C#N ZINC000544529960 459765479 /nfs/dbraw/zinc/76/54/79/459765479.db2.gz OWECXTAWJUZXMT-HXUWFJFHSA-N 1 2 336.435 3.400 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ccc(Cl)c(C#N)c1)CCC2 ZINC000544675840 459776926 /nfs/dbraw/zinc/77/69/26/459776926.db2.gz YQRWHMQECQDYAF-ZDUSSCGKSA-N 1 2 328.803 3.024 20 30 EGEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2ccccc2)cc1 ZINC000564859119 459777449 /nfs/dbraw/zinc/77/74/49/459777449.db2.gz WKBGIXAETRHVLR-KRWDZBQOSA-N 1 2 325.412 3.097 20 30 EGEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2ccccc2)cc1 ZINC000564859119 459777451 /nfs/dbraw/zinc/77/74/51/459777451.db2.gz WKBGIXAETRHVLR-KRWDZBQOSA-N 1 2 325.412 3.097 20 30 EGEDLO N#CCCCCCC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000588146989 459918683 /nfs/dbraw/zinc/91/86/83/459918683.db2.gz XXXXRWASWFLRGQ-FLIBITNWSA-N 1 2 325.456 3.318 20 30 EGEDLO Cc1cc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)sn1 ZINC000602452664 459944845 /nfs/dbraw/zinc/94/48/45/459944845.db2.gz FNOTWLGXEHEMLY-UHFFFAOYSA-N 1 2 349.463 3.194 20 30 EGEDLO CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)[nH]1 ZINC000602487277 459964893 /nfs/dbraw/zinc/96/48/93/459964893.db2.gz WLMATKHDDHOIIE-IEBWSBKVSA-N 1 2 337.423 3.463 20 30 EGEDLO CCOC(=O)c1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)[nH]1 ZINC000602487277 459964895 /nfs/dbraw/zinc/96/48/95/459964895.db2.gz WLMATKHDDHOIIE-IEBWSBKVSA-N 1 2 337.423 3.463 20 30 EGEDLO N#C[C@@H](NC(=O)CCCn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000609460808 459966893 /nfs/dbraw/zinc/96/68/93/459966893.db2.gz QTLHCDISUCEYDA-CQSZACIVSA-N 1 2 337.210 3.351 20 30 EGEDLO Cc1cccc2[nH+]c(CNC(=O)c3cc4ccccc4n3CC#N)cn21 ZINC000609462555 459967192 /nfs/dbraw/zinc/96/71/92/459967192.db2.gz FKLOAFFPKFOVEH-UHFFFAOYSA-N 1 2 343.390 3.051 20 30 EGEDLO CC(C)(C)C1CCC(C#N)(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000597519923 459983667 /nfs/dbraw/zinc/98/36/67/459983667.db2.gz TVYJILIHQBOPLS-XVTSOASTSA-N 1 2 328.460 3.060 20 30 EGEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCS[C@H](c3ccccc3)C2)c1 ZINC000609800320 460022308 /nfs/dbraw/zinc/02/23/08/460022308.db2.gz AVVVTXTWKIQYSG-SFHVURJKSA-N 1 2 337.448 3.287 20 30 EGEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCS[C@H](c3ccccc3)C2)c1 ZINC000609800320 460022314 /nfs/dbraw/zinc/02/23/14/460022314.db2.gz AVVVTXTWKIQYSG-SFHVURJKSA-N 1 2 337.448 3.287 20 30 EGEDLO CC(C)C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccc(Cl)cc1 ZINC000598836570 460059555 /nfs/dbraw/zinc/05/95/55/460059555.db2.gz NCDYZUSRLSOMQM-FUHWJXTLSA-N 1 2 335.879 3.430 20 30 EGEDLO CCc1nc(C[N@H+](C)CCOc2ccc(C#N)cc2OC)cs1 ZINC000610132598 460068081 /nfs/dbraw/zinc/06/80/81/460068081.db2.gz JHTMRBQMROGAOH-UHFFFAOYSA-N 1 2 331.441 3.097 20 30 EGEDLO CCc1nc(C[N@@H+](C)CCOc2ccc(C#N)cc2OC)cs1 ZINC000610132598 460068088 /nfs/dbraw/zinc/06/80/88/460068088.db2.gz JHTMRBQMROGAOH-UHFFFAOYSA-N 1 2 331.441 3.097 20 30 EGEDLO Cc1ccc(-c2ccc(C)c(NC[C@@H](O)C[N@H+](C)CCC#N)c2)o1 ZINC000576151483 460080115 /nfs/dbraw/zinc/08/01/15/460080115.db2.gz YAEWMEGIWHXKGI-QGZVFWFLSA-N 1 2 327.428 3.182 20 30 EGEDLO Cc1ccc(-c2ccc(C)c(NC[C@@H](O)C[N@@H+](C)CCC#N)c2)o1 ZINC000576151483 460080121 /nfs/dbraw/zinc/08/01/21/460080121.db2.gz YAEWMEGIWHXKGI-QGZVFWFLSA-N 1 2 327.428 3.182 20 30 EGEDLO CCc1cc(N[C@H]2CCc3cc(C#N)ccc32)nc(-c2ccncc2)[nH+]1 ZINC000618693444 460131326 /nfs/dbraw/zinc/13/13/26/460131326.db2.gz GZNZGROTDHJPQY-IBGZPJMESA-N 1 2 341.418 3.494 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000602839143 460152455 /nfs/dbraw/zinc/15/24/55/460152455.db2.gz IBSRLUOZUIJCGR-LBPRGKRZSA-N 1 2 329.429 3.468 20 30 EGEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000602868915 460165805 /nfs/dbraw/zinc/16/58/05/460165805.db2.gz KYMNVWFKONEHLM-CQSZACIVSA-N 1 2 339.443 3.000 20 30 EGEDLO Cc1ccn2cc(CNC(=O)[C@@H](C)Cc3ccc(C#N)cc3)[nH+]c2c1 ZINC000594243504 460168842 /nfs/dbraw/zinc/16/88/42/460168842.db2.gz IPNNRQKWINSJLC-HNNXBMFYSA-N 1 2 332.407 3.009 20 30 EGEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000610519896 460174372 /nfs/dbraw/zinc/17/43/72/460174372.db2.gz MZAVGPWBRHDHLL-MRXNPFEDSA-N 1 2 325.456 3.029 20 30 EGEDLO CC[N@H+](CCC(F)(F)F)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000610542872 460179801 /nfs/dbraw/zinc/17/98/01/460179801.db2.gz ZNJZIXWHWINESA-UHFFFAOYSA-N 1 2 333.379 3.449 20 30 EGEDLO CC[N@@H+](CCC(F)(F)F)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000610542872 460179802 /nfs/dbraw/zinc/17/98/02/460179802.db2.gz ZNJZIXWHWINESA-UHFFFAOYSA-N 1 2 333.379 3.449 20 30 EGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2sccc2Cl)CC1 ZINC000618808809 460184400 /nfs/dbraw/zinc/18/44/00/460184400.db2.gz SUNUPIKUWJFZOM-UHFFFAOYSA-N 1 2 348.859 3.461 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000602927506 460189778 /nfs/dbraw/zinc/18/97/78/460189778.db2.gz TUVFJQMUXISNNF-GOEBONIOSA-N 1 2 329.444 3.394 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000602927506 460189782 /nfs/dbraw/zinc/18/97/82/460189782.db2.gz TUVFJQMUXISNNF-GOEBONIOSA-N 1 2 329.444 3.394 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]Cc1csc(-c2ccc(C(=O)OC)cc2)n1 ZINC000576715241 460200874 /nfs/dbraw/zinc/20/08/74/460200874.db2.gz KTYBSCDCEOENHM-AWEZNQCLSA-N 1 2 329.425 3.379 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCOC[C@H]1C ZINC000610990789 460273827 /nfs/dbraw/zinc/27/38/27/460273827.db2.gz NCSAYTAUNSZNGC-CABCVRRESA-N 1 2 347.484 3.130 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCOC[C@H]1C ZINC000610990789 460273833 /nfs/dbraw/zinc/27/38/33/460273833.db2.gz NCSAYTAUNSZNGC-CABCVRRESA-N 1 2 347.484 3.130 20 30 EGEDLO N#Cc1cccc(-c2csc(NC(=O)CCCn3cc[nH+]c3)n2)c1 ZINC000611052260 460284074 /nfs/dbraw/zinc/28/40/74/460284074.db2.gz KKPKKBOXXXCRNH-UHFFFAOYSA-N 1 2 337.408 3.297 20 30 EGEDLO COCCOCc1cc(C#N)ccc1NCCc1ccc(C)c[nH+]1 ZINC000603397906 460296688 /nfs/dbraw/zinc/29/66/88/460296688.db2.gz ZTGFSZSJKINVQE-UHFFFAOYSA-N 1 2 325.412 3.079 20 30 EGEDLO Cc1nc(N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)ccc1C#N ZINC000603417834 460301506 /nfs/dbraw/zinc/30/15/06/460301506.db2.gz CCYCMAIVGWVNEF-UHFFFAOYSA-N 1 2 347.344 3.002 20 30 EGEDLO N#Cc1cccc(C2([NH2+]Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)c1 ZINC000611396116 460354774 /nfs/dbraw/zinc/35/47/74/460354774.db2.gz JKEAKTUDHSCIMS-UHFFFAOYSA-N 1 2 334.335 3.387 20 30 EGEDLO Cc1[nH+]c2ccc(C(=O)N[C@H]3CCc4cc(C#N)ccc43)cc2n1C ZINC000619450122 460360718 /nfs/dbraw/zinc/36/07/18/460360718.db2.gz JVSURWWNDDSVKF-KRWDZBQOSA-N 1 2 330.391 3.171 20 30 EGEDLO N#Cc1ccc(/C=C/c2nc([C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000612991190 460796243 /nfs/dbraw/zinc/79/62/43/460796243.db2.gz DBOBYRSNWNLTKM-LJFOUZCWSA-N 1 2 336.395 3.037 20 30 EGEDLO N#Cc1ccc(/C=C/c2nc([C@@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000612991190 460796248 /nfs/dbraw/zinc/79/62/48/460796248.db2.gz DBOBYRSNWNLTKM-LJFOUZCWSA-N 1 2 336.395 3.037 20 30 EGEDLO N#CCc1ccccc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000601534119 460825621 /nfs/dbraw/zinc/82/56/21/460825621.db2.gz AVKXYFUUIMLGSM-UHFFFAOYSA-N 1 2 348.450 3.305 20 30 EGEDLO C=CC[C@@H]1CCCN(C(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)C1 ZINC000617778322 460974525 /nfs/dbraw/zinc/97/45/25/460974525.db2.gz DDPJSPJGCUIVCW-OLZOCXBDSA-N 1 2 329.366 3.271 20 30 EGEDLO C=CC[N@@H+]([C@@H](C)c1cc(C)c(OC)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000637963346 461157757 /nfs/dbraw/zinc/15/77/57/461157757.db2.gz XIUWOFBBRILNTO-JKSUJKDBSA-N 1 2 337.485 3.048 20 30 EGEDLO C=CC[N@H+]([C@@H](C)c1cc(C)c(OC)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000637963346 461157762 /nfs/dbraw/zinc/15/77/62/461157762.db2.gz XIUWOFBBRILNTO-JKSUJKDBSA-N 1 2 337.485 3.048 20 30 EGEDLO C=CCNC(=O)Nc1ccc(N[C@H](c2[nH+]ccn2C)C2CC2)cc1 ZINC000638209473 461310407 /nfs/dbraw/zinc/31/04/07/461310407.db2.gz AWWLIZSZIDGUJW-INIZCTEOSA-N 1 2 325.416 3.291 20 30 EGEDLO C=CCCn1cc(C[N@@H+](CCOC)Cc2ccc(C)cc2C)nn1 ZINC000653517880 461693607 /nfs/dbraw/zinc/69/36/07/461693607.db2.gz XERQXDBKGOAQMM-UHFFFAOYSA-N 1 2 328.460 3.120 20 30 EGEDLO C=CCCn1cc(C[N@H+](CCOC)Cc2ccc(C)cc2C)nn1 ZINC000653517880 461693613 /nfs/dbraw/zinc/69/36/13/461693613.db2.gz XERQXDBKGOAQMM-UHFFFAOYSA-N 1 2 328.460 3.120 20 30 EGEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c2ccccc21 ZINC000661151053 462124520 /nfs/dbraw/zinc/12/45/20/462124520.db2.gz YEGZKLFKJKAHNA-INIZCTEOSA-N 1 2 334.423 3.363 20 30 EGEDLO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c2ccccc21 ZINC000661151053 462124524 /nfs/dbraw/zinc/12/45/24/462124524.db2.gz YEGZKLFKJKAHNA-INIZCTEOSA-N 1 2 334.423 3.363 20 30 EGEDLO C=CC[N@H+](CC(=O)c1cc(C)n(Cc2ccco2)c1C)[C@@H](C)COC ZINC000661243935 462167660 /nfs/dbraw/zinc/16/76/60/462167660.db2.gz OFTCAEIZAGZEFD-INIZCTEOSA-N 1 2 344.455 3.452 20 30 EGEDLO C=CC[N@@H+](CC(=O)c1cc(C)n(Cc2ccco2)c1C)[C@@H](C)COC ZINC000661243935 462167667 /nfs/dbraw/zinc/16/76/67/462167667.db2.gz OFTCAEIZAGZEFD-INIZCTEOSA-N 1 2 344.455 3.452 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000186837050 527617271 /nfs/dbraw/zinc/61/72/71/527617271.db2.gz AJJIRXIYAYIMEI-CRAIPNDOSA-N 1 2 336.501 3.182 20 30 EGEDLO CCOc1ccccc1C[N@H+](C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000172169089 535504159 /nfs/dbraw/zinc/50/41/59/535504159.db2.gz BXFFVMARPDHROZ-IBGZPJMESA-N 1 2 349.434 3.194 20 30 EGEDLO CCOc1ccccc1C[N@@H+](C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000172169089 535504162 /nfs/dbraw/zinc/50/41/62/535504162.db2.gz BXFFVMARPDHROZ-IBGZPJMESA-N 1 2 349.434 3.194 20 30 EGEDLO CCOc1cc(C#N)ccc1OC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000726751764 574569938 /nfs/dbraw/zinc/56/99/38/574569938.db2.gz DUPLTDKXYIGFQN-UHFFFAOYSA-N 1 2 335.363 3.061 20 30 EGEDLO C#Cc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)nc1 ZINC000728862080 574779863 /nfs/dbraw/zinc/77/98/63/574779863.db2.gz SNZHETPCSBHXOU-CYBMUJFWSA-N 1 2 340.452 3.004 20 30 EGEDLO C#Cc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)nc1 ZINC000728862080 574779864 /nfs/dbraw/zinc/77/98/64/574779864.db2.gz SNZHETPCSBHXOU-CYBMUJFWSA-N 1 2 340.452 3.004 20 30 EGEDLO C=CCOc1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000729343285 574844143 /nfs/dbraw/zinc/84/41/43/574844143.db2.gz UAHIYJKQMRMPDS-QGZVFWFLSA-N 1 2 327.428 3.293 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cnc(-c2ccccc2)s1 ZINC000729812327 574886378 /nfs/dbraw/zinc/88/63/78/574886378.db2.gz SCIFQSZYKKDQFW-HNNXBMFYSA-N 1 2 326.421 3.065 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cnc(-c2ccccc2)s1 ZINC000729812327 574886379 /nfs/dbraw/zinc/88/63/79/574886379.db2.gz SCIFQSZYKKDQFW-HNNXBMFYSA-N 1 2 326.421 3.065 20 30 EGEDLO C#CCOc1ccccc1C[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000730261111 574963978 /nfs/dbraw/zinc/96/39/78/574963978.db2.gz SFWYGGNPIZKDKZ-UHFFFAOYSA-N 1 2 344.361 3.047 20 30 EGEDLO C#CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000730261111 574963980 /nfs/dbraw/zinc/96/39/80/574963980.db2.gz SFWYGGNPIZKDKZ-UHFFFAOYSA-N 1 2 344.361 3.047 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(OCCc2ccccc2)c1 ZINC000732060285 575235658 /nfs/dbraw/zinc/23/56/58/575235658.db2.gz RGWHLUUSSAPBLX-NRFANRHFSA-N 1 2 348.446 3.344 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(OCCc2ccccc2)c1 ZINC000732060285 575235661 /nfs/dbraw/zinc/23/56/61/575235661.db2.gz RGWHLUUSSAPBLX-NRFANRHFSA-N 1 2 348.446 3.344 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N(C)Cc2ccccc2)cc1 ZINC000732059338 575235698 /nfs/dbraw/zinc/23/56/98/575235698.db2.gz CUTSXPVSTNNJQV-NRFANRHFSA-N 1 2 347.462 3.359 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N(C)Cc2ccccc2)cc1 ZINC000732059338 575235699 /nfs/dbraw/zinc/23/56/99/575235699.db2.gz CUTSXPVSTNNJQV-NRFANRHFSA-N 1 2 347.462 3.359 20 30 EGEDLO C#CCOc1ccc(C[NH2+][C@@H](c2nccn2C)c2ccc(F)cc2)cc1 ZINC000733324468 575327774 /nfs/dbraw/zinc/32/77/74/575327774.db2.gz ZVVWMKQHTNVTSW-HXUWFJFHSA-N 1 2 349.409 3.450 20 30 EGEDLO Cc1nn(C)c(C)c1C(=NNc1cc[nH+]c2ccccc12)C(F)(F)F ZINC000733901246 575407595 /nfs/dbraw/zinc/40/75/95/575407595.db2.gz IDWUDVYGTRJFNV-UHFFFAOYSA-N 1 2 347.344 3.386 20 30 EGEDLO C[C@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000734532397 575510647 /nfs/dbraw/zinc/51/06/47/575510647.db2.gz LUXFVRHAZNTETE-MRXNPFEDSA-N 1 2 342.487 3.068 20 30 EGEDLO N#Cc1ccc(-c2ccn(Cc3[nH+]ccn3CC(F)(F)F)n2)cc1 ZINC000736609642 575992012 /nfs/dbraw/zinc/99/20/12/575992012.db2.gz BEJUAZFFMHMXDT-UHFFFAOYSA-N 1 2 331.301 3.229 20 30 EGEDLO CC(C)(C)OC(=O)NC1CCC(/[NH+]=C\c2cccc(O)c2O)CC1 ZINC000739426211 576410492 /nfs/dbraw/zinc/41/04/92/576410492.db2.gz KCDGKVHFPRHQRV-ODLFYWEKSA-N 1 2 334.416 3.353 20 30 EGEDLO Cc1c(C(=O)/C=C\c2c[nH+]c3ccccn23)nnn1-c1ccc(C)cc1 ZINC000740764907 576624156 /nfs/dbraw/zinc/62/41/56/576624156.db2.gz KFPIDFKDBHCEGE-KHPPLWFESA-N 1 2 343.390 3.428 20 30 EGEDLO CC(=[NH+]Nc1ccc(F)cn1)c1c(F)cccc1N1CCOCC1 ZINC000741164349 576662745 /nfs/dbraw/zinc/66/27/45/576662745.db2.gz HWBPYWZQKFUMFZ-UHFFFAOYSA-N 1 2 332.354 3.033 20 30 EGEDLO Cc1cc(C)nc(N=NC2CCN(c3ccc([NH+](C)C)cc3)CC2)n1 ZINC000741450353 576687546 /nfs/dbraw/zinc/68/75/46/576687546.db2.gz WKFSRFJWXFHXNM-UHFFFAOYSA-N 1 2 338.459 3.228 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H](C)C2)c1=S ZINC000742165871 576754246 /nfs/dbraw/zinc/75/42/46/576754246.db2.gz LWUDNZHNCBOSKP-GOEBONIOSA-N 1 2 329.473 3.078 20 30 EGEDLO C=CCn1nnn(C[N@H+]2CC[C@@H](c3ccccc3)[C@@H](C)C2)c1=S ZINC000742165871 576754248 /nfs/dbraw/zinc/75/42/48/576754248.db2.gz LWUDNZHNCBOSKP-GOEBONIOSA-N 1 2 329.473 3.078 20 30 EGEDLO C[N@H+](Cc1nccn1Cc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000743856091 576817195 /nfs/dbraw/zinc/81/71/95/576817195.db2.gz FEEGJIGWYHXFPW-UHFFFAOYSA-N 1 2 346.434 3.466 20 30 EGEDLO C[N@@H+](Cc1nccn1Cc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000743856091 576817196 /nfs/dbraw/zinc/81/71/96/576817196.db2.gz FEEGJIGWYHXFPW-UHFFFAOYSA-N 1 2 346.434 3.466 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000076007494 1292417702 /nfs/dbraw/zinc/41/77/02/1292417702.db2.gz IGNAOPMUDFOXPR-MRXNPFEDSA-N 1 2 333.407 3.186 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000076007494 1292417706 /nfs/dbraw/zinc/41/77/06/1292417706.db2.gz IGNAOPMUDFOXPR-MRXNPFEDSA-N 1 2 333.407 3.186 20 30 EGEDLO C[C@H](C#N)Oc1ccc(C[N@H+](C)Cc2nc3ccccc3n2C)cc1 ZINC000093363949 1292918363 /nfs/dbraw/zinc/91/83/63/1292918363.db2.gz PVVMJTQXZTWXCD-OAHLLOKOSA-N 1 2 334.423 3.496 20 30 EGEDLO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2nc3ccccc3n2C)cc1 ZINC000093363949 1292918368 /nfs/dbraw/zinc/91/83/68/1292918368.db2.gz PVVMJTQXZTWXCD-OAHLLOKOSA-N 1 2 334.423 3.496 20 30 EGEDLO CC(=[NH+]N[C@H](C)C(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000835001919 1293184847 /nfs/dbraw/zinc/18/48/47/1293184847.db2.gz PQTWQKMIQFEDEY-LLVKDONJSA-N 1 2 349.784 3.441 20 30 EGEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)C[C@](C)(C(C)C)C1=O ZINC000116867661 1293210771 /nfs/dbraw/zinc/21/07/71/1293210771.db2.gz MKMAZHSZFKDIOY-HXUWFJFHSA-N 1 2 341.455 3.147 20 30 EGEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)C[C@](C)(C(C)C)C1=O ZINC000116867661 1293210779 /nfs/dbraw/zinc/21/07/79/1293210779.db2.gz MKMAZHSZFKDIOY-HXUWFJFHSA-N 1 2 341.455 3.147 20 30 EGEDLO CCCCOC(=O)[C@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000119052842 1293252178 /nfs/dbraw/zinc/25/21/78/1293252178.db2.gz UNYADZPARORZFG-HNNXBMFYSA-N 1 2 330.428 3.133 20 30 EGEDLO CC#CCCCCOC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835311310 1293260003 /nfs/dbraw/zinc/26/00/03/1293260003.db2.gz PSCLNHJVBBMHCX-UHFFFAOYSA-N 1 2 327.340 3.131 20 30 EGEDLO Cc1cccn2c(/C=C3\S/C(=N/C4CCCC4)NC3=O)c[nH+]c12 ZINC000125282184 1293503043 /nfs/dbraw/zinc/50/30/43/1293503043.db2.gz HGUASLNBDMMDSV-ZROIWOOFSA-N 1 2 326.425 3.145 20 30 EGEDLO COc1cccc(C#CCOC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000181172252 1294946145 /nfs/dbraw/zinc/94/61/45/1294946145.db2.gz WVKQYBSQKNLHNT-UHFFFAOYSA-N 1 2 332.359 3.089 20 30 EGEDLO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000870125358 1295683519 /nfs/dbraw/zinc/68/35/19/1295683519.db2.gz ZMTHUEIISGEMNZ-AWEZNQCLSA-N 1 2 325.437 3.139 20 30 EGEDLO CCCCCCCS(=O)(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000195382971 1296061685 /nfs/dbraw/zinc/06/16/85/1296061685.db2.gz JFWDEWNMUDQSTG-HZPDHXFCSA-N 1 2 327.494 3.066 20 30 EGEDLO COc1ccc2nc(C[N@H+]3CC=C(c4ccc(C#N)cc4)CC3)[nH]c2n1 ZINC000355005441 1297449911 /nfs/dbraw/zinc/44/99/11/1297449911.db2.gz HMPASAGFTLLJNT-UHFFFAOYSA-N 1 2 345.406 3.127 20 30 EGEDLO COc1ccc2nc(C[N@@H+]3CC=C(c4ccc(C#N)cc4)CC3)[nH]c2n1 ZINC000355005441 1297449916 /nfs/dbraw/zinc/44/99/16/1297449916.db2.gz HMPASAGFTLLJNT-UHFFFAOYSA-N 1 2 345.406 3.127 20 30 EGEDLO CC(C)(O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000719642856 1298321472 /nfs/dbraw/zinc/32/14/72/1298321472.db2.gz OVPYFUGSMAORCC-AWEZNQCLSA-N 1 2 337.261 3.304 20 30 EGEDLO CC(C)(O)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000719642856 1298321484 /nfs/dbraw/zinc/32/14/84/1298321484.db2.gz OVPYFUGSMAORCC-AWEZNQCLSA-N 1 2 337.261 3.304 20 30 EGEDLO CCCCCCCCc1nnc(NC(=O)[C@@H]2CSC[NH2+]2)s1 ZINC000746325068 1298570528 /nfs/dbraw/zinc/57/05/28/1298570528.db2.gz XYJBPIPONHQORQ-NSHDSACASA-N 1 2 328.507 3.042 20 30 EGEDLO N#Cc1cccc(OC2CC[NH+](Cc3ccc(Cl)nn3)CC2)c1 ZINC000876619038 1298873709 /nfs/dbraw/zinc/87/37/09/1298873709.db2.gz MUBRCLJCPXXDPE-UHFFFAOYSA-N 1 2 328.803 3.045 20 30 EGEDLO N#Cc1ccc(CO[NH+]=C(N)c2ccc(F)cc2)c(OC(F)F)c1 ZINC000753119043 1299877489 /nfs/dbraw/zinc/87/74/89/1299877489.db2.gz XRORAFCPUPSLAQ-UHFFFAOYSA-N 1 2 335.285 3.136 20 30 EGEDLO C#CC[C@@H](NC(=O)NCc1[nH+]cc(C)c(OC)c1C)c1ccccc1 ZINC000757020230 1300613705 /nfs/dbraw/zinc/61/37/05/1300613705.db2.gz BKZUGQZTFKKJIU-QGZVFWFLSA-N 1 2 337.423 3.271 20 30 EGEDLO CC(C)CC(=O)N1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000879760291 1300724467 /nfs/dbraw/zinc/72/44/67/1300724467.db2.gz WWTXHNVNJLQUDX-UHFFFAOYSA-N 1 2 332.875 3.272 20 30 EGEDLO CC(C)CC(=O)N1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000879760291 1300724470 /nfs/dbraw/zinc/72/44/70/1300724470.db2.gz WWTXHNVNJLQUDX-UHFFFAOYSA-N 1 2 332.875 3.272 20 30 EGEDLO Cc1ccc([N+](=O)[O-])cc1N[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000758374328 1300865326 /nfs/dbraw/zinc/86/53/26/1300865326.db2.gz FBZGHTIMDZJHJJ-UHFFFAOYSA-N 1 2 325.372 3.344 20 30 EGEDLO C[C@H]1CCN(C(=O)Nc2cc(C#N)c(F)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000880714424 1301238079 /nfs/dbraw/zinc/23/80/79/1301238079.db2.gz QAGQFTYVRGLXQV-ZBEGNZNMSA-N 1 2 345.353 3.148 20 30 EGEDLO C[C@@H]1CCN(C(=O)Nc2cc(C#N)c(F)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000880714422 1301238312 /nfs/dbraw/zinc/23/83/12/1301238312.db2.gz QAGQFTYVRGLXQV-BZNIZROVSA-N 1 2 345.353 3.148 20 30 EGEDLO COc1cc(F)c(C(=O)/C=C\c2c[nH+]c3ccccn23)cc1OC ZINC000760264769 1301242709 /nfs/dbraw/zinc/24/27/09/1301242709.db2.gz MRVQQSOGXXKXRY-SREVYHEPSA-N 1 2 326.327 3.387 20 30 EGEDLO COc1cc(C(C)=NNc2cc[nH+]c3ccccc23)c(OC)cc1O ZINC000763172291 1301836403 /nfs/dbraw/zinc/83/64/03/1301836403.db2.gz KOGSERDAAIZUDS-UHFFFAOYSA-N 1 2 337.379 3.216 20 30 EGEDLO NC(=[NH+]OCc1nnc(-c2ccccc2)s1)c1ccc(F)cc1 ZINC000766398879 1302443891 /nfs/dbraw/zinc/44/38/91/1302443891.db2.gz SMRDIOKSZMHWEP-UHFFFAOYSA-N 1 2 328.372 3.181 20 30 EGEDLO C[C@@H]1CC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C[C@@H]1C ZINC000766984824 1302558442 /nfs/dbraw/zinc/55/84/42/1302558442.db2.gz MTZYHFVTYOSSKP-RDBSUJKOSA-N 1 2 327.453 3.450 20 30 EGEDLO C[C@@H]1CC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C[C@@H]1C ZINC000766984824 1302558453 /nfs/dbraw/zinc/55/84/53/1302558453.db2.gz MTZYHFVTYOSSKP-RDBSUJKOSA-N 1 2 327.453 3.450 20 30 EGEDLO C#CC[N@H+](CC#CC)Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000769448438 1303113973 /nfs/dbraw/zinc/11/39/73/1303113973.db2.gz QKEZPNPSUMLCNO-UHFFFAOYSA-N 1 2 346.430 3.406 20 30 EGEDLO C#CC[N@@H+](CC#CC)Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000769448438 1303113978 /nfs/dbraw/zinc/11/39/78/1303113978.db2.gz QKEZPNPSUMLCNO-UHFFFAOYSA-N 1 2 346.430 3.406 20 30 EGEDLO NC(=[NH+]OC[C@@H]1CCCOC1)c1ccc(OCc2ccccc2)cc1 ZINC000769876959 1303186850 /nfs/dbraw/zinc/18/68/50/1303186850.db2.gz IMZBOSXHKQYFQD-QGZVFWFLSA-N 1 2 340.423 3.329 20 30 EGEDLO C#CCCOc1ccc(C[N@@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)cc1 ZINC000770390867 1303260869 /nfs/dbraw/zinc/26/08/69/1303260869.db2.gz LXVATJGSSNLJCQ-HNNXBMFYSA-N 1 2 340.389 3.157 20 30 EGEDLO C#CCCOc1ccc(C[N@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)cc1 ZINC000770390867 1303260873 /nfs/dbraw/zinc/26/08/73/1303260873.db2.gz LXVATJGSSNLJCQ-HNNXBMFYSA-N 1 2 340.389 3.157 20 30 EGEDLO C=CC[N@@H+](CCc1ccccc1)CN1C(=O)N[C@](C)(C(C)(C)C)C1=O ZINC000773298424 1303658298 /nfs/dbraw/zinc/65/82/98/1303658298.db2.gz BCDNPDKYEYRRJR-FQEVSTJZSA-N 1 2 343.471 3.031 20 30 EGEDLO C=CC[N@H+](CCc1ccccc1)CN1C(=O)N[C@](C)(C(C)(C)C)C1=O ZINC000773298424 1303658304 /nfs/dbraw/zinc/65/83/04/1303658304.db2.gz BCDNPDKYEYRRJR-FQEVSTJZSA-N 1 2 343.471 3.031 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1csc(-c2ccc(OCC)cc2)n1)[C@@H]1CCCO1 ZINC000775785263 1304037400 /nfs/dbraw/zinc/03/74/00/1304037400.db2.gz MWJQUNZGUGUAEU-MSOLQXFVSA-N 1 2 342.464 3.479 20 30 EGEDLO C#CCOc1ccccc1NC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000776087671 1304093254 /nfs/dbraw/zinc/09/32/54/1304093254.db2.gz QGSSEANUEZUFGK-KRWDZBQOSA-N 1 2 340.427 3.132 20 30 EGEDLO C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(C#N)cs1 ZINC000776692429 1304183543 /nfs/dbraw/zinc/18/35/43/1304183543.db2.gz DALVNKITDQEDAD-OLZOCXBDSA-N 1 2 335.473 3.449 20 30 EGEDLO C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(C#N)cs1 ZINC000776692429 1304183547 /nfs/dbraw/zinc/18/35/47/1304183547.db2.gz DALVNKITDQEDAD-OLZOCXBDSA-N 1 2 335.473 3.449 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)CN1C[C@@](C)(c2ccccc2)CC1=O ZINC000777537965 1304311823 /nfs/dbraw/zinc/31/18/23/1304311823.db2.gz JAZWNJGCUXVCII-NRFANRHFSA-N 1 2 338.451 3.458 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)CN1C[C@@](C)(c2ccccc2)CC1=O ZINC000777537965 1304311829 /nfs/dbraw/zinc/31/18/29/1304311829.db2.gz JAZWNJGCUXVCII-NRFANRHFSA-N 1 2 338.451 3.458 20 30 EGEDLO NC(=[NH+]OCc1ccc(Cl)nc1)c1ccc(Br)cc1 ZINC000782950435 1305027574 /nfs/dbraw/zinc/02/75/74/1305027574.db2.gz YQFUTFCQIOOISB-UHFFFAOYSA-N 1 2 340.608 3.335 20 30 EGEDLO Cc1ncc(CO[NH+]=C(N)c2ccc(Br)cc2)s1 ZINC000782949445 1305027915 /nfs/dbraw/zinc/02/79/15/1305027915.db2.gz IATLRXVXVVHABM-UHFFFAOYSA-N 1 2 326.219 3.051 20 30 EGEDLO CN(C)c1cc[nH+]c(NC(=S)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000783762635 1305141999 /nfs/dbraw/zinc/14/19/99/1305141999.db2.gz KHWVRNVWRGUGID-UHFFFAOYSA-N 1 2 331.832 3.482 20 30 EGEDLO COC(=O)COc1ccccc1C(C)=NNc1cc[nH+]c2ccccc12 ZINC000783840755 1305151045 /nfs/dbraw/zinc/15/10/45/1305151045.db2.gz BRDUBNCPAZZYSW-UHFFFAOYSA-N 1 2 349.390 3.045 20 30 EGEDLO CC(C)(C)C[N@H+](CCC#N)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000790289271 1306291034 /nfs/dbraw/zinc/29/10/34/1306291034.db2.gz BCTIJVDYQSSWBF-GOSISDBHSA-N 1 2 327.472 3.439 20 30 EGEDLO CC(C)(C)C[N@@H+](CCC#N)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000790289271 1306291042 /nfs/dbraw/zinc/29/10/42/1306291042.db2.gz BCTIJVDYQSSWBF-GOSISDBHSA-N 1 2 327.472 3.439 20 30 EGEDLO C=CCC1(O)CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000895835939 1309545011 /nfs/dbraw/zinc/54/50/11/1309545011.db2.gz RGCDEYTYPPFNQK-UHFFFAOYSA-N 1 2 342.342 3.099 20 30 EGEDLO Cn1c(CC#N)nn(C[N@@H+](Cc2ccc(F)cc2)CC2CC2)c1=S ZINC000794627164 1309560020 /nfs/dbraw/zinc/56/00/20/1309560020.db2.gz BCKORVLAJGAVSS-UHFFFAOYSA-N 1 2 345.447 3.026 20 30 EGEDLO Cn1c(CC#N)nn(C[N@H+](Cc2ccc(F)cc2)CC2CC2)c1=S ZINC000794627164 1309560030 /nfs/dbraw/zinc/56/00/30/1309560030.db2.gz BCKORVLAJGAVSS-UHFFFAOYSA-N 1 2 345.447 3.026 20 30 EGEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(C#N)ccc1Cl ZINC000795506722 1309768415 /nfs/dbraw/zinc/76/84/15/1309768415.db2.gz YUSZDYXRXHMKSN-OAHLLOKOSA-N 1 2 330.819 3.253 20 30 EGEDLO CC(C)(C)OC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC000896502324 1309888806 /nfs/dbraw/zinc/88/88/06/1309888806.db2.gz XAGQHPGPROCCHQ-QGZVFWFLSA-N 1 2 329.444 3.447 20 30 EGEDLO CC(C)(C)OC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC000896502324 1309888811 /nfs/dbraw/zinc/88/88/11/1309888811.db2.gz XAGQHPGPROCCHQ-QGZVFWFLSA-N 1 2 329.444 3.447 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(F)cc(C(C)=O)c1O ZINC000796383694 1309986979 /nfs/dbraw/zinc/98/69/79/1309986979.db2.gz WADIXDQAAZRQKN-UHFFFAOYSA-N 1 2 347.386 3.398 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(F)cc(C(C)=O)c1O ZINC000796383694 1309986981 /nfs/dbraw/zinc/98/69/81/1309986981.db2.gz WADIXDQAAZRQKN-UHFFFAOYSA-N 1 2 347.386 3.398 20 30 EGEDLO CC(C)(C)OC(=O)N1CCC2(C[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC000897895302 1310510073 /nfs/dbraw/zinc/51/00/73/1310510073.db2.gz WIVBLIGXCUVTKV-UHFFFAOYSA-N 1 2 333.457 3.063 20 30 EGEDLO Cc1cc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)cnc1Cl ZINC000800528248 1310778135 /nfs/dbraw/zinc/77/81/35/1310778135.db2.gz LOIDXIJUVPNPKA-UHFFFAOYSA-N 1 2 326.831 3.496 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H]([NH2+][C@@H](C)c3nc(C(C)C)no3)C2)CC1 ZINC001019327497 1317170747 /nfs/dbraw/zinc/17/07/47/1317170747.db2.gz GUFBMXPGNGBJDV-HOCLYGCPSA-N 1 2 346.475 3.191 20 30 EGEDLO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000805763042 1317419926 /nfs/dbraw/zinc/41/99/26/1317419926.db2.gz WFIPAIDIGWHCEB-INIZCTEOSA-N 1 2 333.407 3.140 20 30 EGEDLO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000805763042 1317419930 /nfs/dbraw/zinc/41/99/30/1317419930.db2.gz WFIPAIDIGWHCEB-INIZCTEOSA-N 1 2 333.407 3.140 20 30 EGEDLO Cn1c[nH+]cc1/C=C\C(=O)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000901485830 1317434984 /nfs/dbraw/zinc/43/49/84/1317434984.db2.gz QFHHUOVZHVIWEY-MWWKQMNYSA-N 1 2 344.386 3.403 20 30 EGEDLO Cc1[nH]c(/C=C/C(=O)c2ccc(N3CCCOC3=O)cc2)[nH+]c1C ZINC000901514140 1317437801 /nfs/dbraw/zinc/43/78/01/1317437801.db2.gz RKQJLOVFGLQDQK-CMDGGOBGSA-N 1 2 325.368 3.269 20 30 EGEDLO Cc1nonc1C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000809745251 1317887427 /nfs/dbraw/zinc/88/74/27/1317887427.db2.gz PDUMAURDGDXWLG-UHFFFAOYSA-N 1 2 334.379 3.119 20 30 EGEDLO C#Cc1ccccc1Cc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000810292966 1317994910 /nfs/dbraw/zinc/99/49/10/1317994910.db2.gz KCIIVKFJANROJD-UHFFFAOYSA-N 1 2 326.359 3.494 20 30 EGEDLO C#CCOc1cccc(OC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000810576948 1318025857 /nfs/dbraw/zinc/02/58/57/1318025857.db2.gz WZVVJYGCIMSTKI-UHFFFAOYSA-N 1 2 346.386 3.092 20 30 EGEDLO C#Cc1cncc(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)c1 ZINC000907815502 1318266191 /nfs/dbraw/zinc/26/61/91/1318266191.db2.gz KAMVEHXQWPZZIL-KRWDZBQOSA-N 1 2 348.450 3.121 20 30 EGEDLO C#Cc1cncc(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)c1 ZINC000907815502 1318266200 /nfs/dbraw/zinc/26/62/00/1318266200.db2.gz KAMVEHXQWPZZIL-KRWDZBQOSA-N 1 2 348.450 3.121 20 30 EGEDLO C=CCCCCCCCNC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000812494240 1318402056 /nfs/dbraw/zinc/40/20/56/1318402056.db2.gz FSZPXPBOXZMHEP-UHFFFAOYSA-N 1 2 345.491 3.143 20 30 EGEDLO O=C(C#CC1CC1)N1CCC[C@@H]2C[N@H+](C/C(Cl)=C/Cl)CC[C@H]21 ZINC001021581992 1318425489 /nfs/dbraw/zinc/42/54/89/1318425489.db2.gz SPCCBQNSYTYVRY-LQWWUDNOSA-N 1 2 341.282 3.032 20 30 EGEDLO O=C(C#CC1CC1)N1CCC[C@@H]2C[N@@H+](C/C(Cl)=C/Cl)CC[C@H]21 ZINC001021581992 1318425493 /nfs/dbraw/zinc/42/54/93/1318425493.db2.gz SPCCBQNSYTYVRY-LQWWUDNOSA-N 1 2 341.282 3.032 20 30 EGEDLO N#Cc1ccnc(COC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000909022579 1318427217 /nfs/dbraw/zinc/42/72/17/1318427217.db2.gz JMLMUNAZMNBYRP-IBGZPJMESA-N 1 2 335.407 3.051 20 30 EGEDLO N#Cc1ccnc(COC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000909022579 1318427221 /nfs/dbraw/zinc/42/72/21/1318427221.db2.gz JMLMUNAZMNBYRP-IBGZPJMESA-N 1 2 335.407 3.051 20 30 EGEDLO Brc1cnc(C=NNc2cc[nH+]c3ccccc23)s1 ZINC000814841902 1318830075 /nfs/dbraw/zinc/83/00/75/1318830075.db2.gz YRJBXLPATBQOMS-UHFFFAOYSA-N 1 2 333.214 3.322 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H](O)c3cc4ccccc4o3)CCO2)c1 ZINC000815078443 1318884208 /nfs/dbraw/zinc/88/42/08/1318884208.db2.gz YZCIEUQWRSAFOL-NQIIRXRSSA-N 1 2 348.402 3.411 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H](O)c3cc4ccccc4o3)CCO2)c1 ZINC000815078443 1318884216 /nfs/dbraw/zinc/88/42/16/1318884216.db2.gz YZCIEUQWRSAFOL-NQIIRXRSSA-N 1 2 348.402 3.411 20 30 EGEDLO CC1(C)C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C[C@](C)(C(F)(F)F)O1 ZINC000815147861 1318913205 /nfs/dbraw/zinc/91/32/05/1318913205.db2.gz HGRMPRUAANHFBC-GDBMZVCRSA-N 1 2 342.361 3.023 20 30 EGEDLO CC1(C)C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C[C@](C)(C(F)(F)F)O1 ZINC000815147861 1318913217 /nfs/dbraw/zinc/91/32/17/1318913217.db2.gz HGRMPRUAANHFBC-GDBMZVCRSA-N 1 2 342.361 3.023 20 30 EGEDLO Cn1ncc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1Cl ZINC000816609174 1319193794 /nfs/dbraw/zinc/19/37/94/1319193794.db2.gz UNUCHKJDHPCKAM-UHFFFAOYSA-N 1 2 348.809 3.128 20 30 EGEDLO C=CCn1c(C)nn(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1=S ZINC000819905030 1319798496 /nfs/dbraw/zinc/79/84/96/1319798496.db2.gz WJKDDMTWXAJKPN-INIZCTEOSA-N 1 2 348.516 3.147 20 30 EGEDLO C=CCn1c(C)nn(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1=S ZINC000819905030 1319798504 /nfs/dbraw/zinc/79/85/04/1319798504.db2.gz WJKDDMTWXAJKPN-INIZCTEOSA-N 1 2 348.516 3.147 20 30 EGEDLO CC(C)C#CC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000821850507 1320036333 /nfs/dbraw/zinc/03/63/33/1320036333.db2.gz TUEJECWNODZLAO-MRXNPFEDSA-N 1 2 336.838 3.392 20 30 EGEDLO CCOC(=O)C[N@H+](Cc1ccc(CC#N)cc1)Cc1ccccc1O ZINC000823576458 1320187910 /nfs/dbraw/zinc/18/79/10/1320187910.db2.gz OUDLNIXPFMBDEA-UHFFFAOYSA-N 1 2 338.407 3.024 20 30 EGEDLO CCOC(=O)C[N@@H+](Cc1ccc(CC#N)cc1)Cc1ccccc1O ZINC000823576458 1320187913 /nfs/dbraw/zinc/18/79/13/1320187913.db2.gz OUDLNIXPFMBDEA-UHFFFAOYSA-N 1 2 338.407 3.024 20 30 EGEDLO N#Cc1sccc1N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000826894647 1320412270 /nfs/dbraw/zinc/41/22/70/1320412270.db2.gz SJJQPVOGPUYEID-UHFFFAOYSA-N 1 2 333.844 3.301 20 30 EGEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)C(=O)OC ZINC000839168687 1320883256 /nfs/dbraw/zinc/88/32/56/1320883256.db2.gz MUGBVOHTJLGIPU-JYJNAYRXSA-N 1 2 339.357 3.496 20 30 EGEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)NCCc1cccs1 ZINC000839468934 1320926686 /nfs/dbraw/zinc/92/66/86/1320926686.db2.gz BLMMQPAANZTNFO-OAHLLOKOSA-N 1 2 344.455 3.070 20 30 EGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)NCCc1cccs1 ZINC000839468934 1320926689 /nfs/dbraw/zinc/92/66/89/1320926689.db2.gz BLMMQPAANZTNFO-OAHLLOKOSA-N 1 2 344.455 3.070 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)CN1C(=O)[C@H](C2CC2)[C@H]1C1CC1 ZINC000839971196 1321006060 /nfs/dbraw/zinc/00/60/60/1321006060.db2.gz USBZOXHAXNIHAY-WOJBJXKFSA-N 1 2 340.467 3.288 20 30 EGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)CN1C(=O)[C@H](C2CC2)[C@H]1C1CC1 ZINC000839971196 1321006063 /nfs/dbraw/zinc/00/60/63/1321006063.db2.gz USBZOXHAXNIHAY-WOJBJXKFSA-N 1 2 340.467 3.288 20 30 EGEDLO C=CCCn1cc(C[N@@H+](C)Cc2ccc(N(CC)CC)cc2)nn1 ZINC000846765932 1321806128 /nfs/dbraw/zinc/80/61/28/1321806128.db2.gz FUZOYQGQWFXPLL-UHFFFAOYSA-N 1 2 327.476 3.332 20 30 EGEDLO C=CCCn1cc(C[N@H+](C)Cc2ccc(N(CC)CC)cc2)nn1 ZINC000846765932 1321806134 /nfs/dbraw/zinc/80/61/34/1321806134.db2.gz FUZOYQGQWFXPLL-UHFFFAOYSA-N 1 2 327.476 3.332 20 30 EGEDLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](Cc1ccc(OCC#N)cc1)C2 ZINC000859440612 1328987097 /nfs/dbraw/zinc/98/70/97/1328987097.db2.gz XPXXQALYTMXDAU-UHFFFAOYSA-N 1 2 336.439 3.235 20 30 EGEDLO CC(C)(C)c1ncc2c(n1)CC[N@H+](Cc1ccc(OCC#N)cc1)C2 ZINC000859440612 1328987101 /nfs/dbraw/zinc/98/71/01/1328987101.db2.gz XPXXQALYTMXDAU-UHFFFAOYSA-N 1 2 336.439 3.235 20 30 EGEDLO CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000859480569 1328997143 /nfs/dbraw/zinc/99/71/43/1328997143.db2.gz JTNPNUIVVSAJHL-QGZVFWFLSA-N 1 2 344.459 3.031 20 30 EGEDLO CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000859480569 1328997146 /nfs/dbraw/zinc/99/71/46/1328997146.db2.gz JTNPNUIVVSAJHL-QGZVFWFLSA-N 1 2 344.459 3.031 20 30 EGEDLO CC[NH+](CC)Cc1csc(NC(=O)c2ccccc2OCC#N)n1 ZINC000919992930 1322125574 /nfs/dbraw/zinc/12/55/74/1322125574.db2.gz MWNWOKBQINRWTM-UHFFFAOYSA-N 1 2 344.440 3.140 20 30 EGEDLO C=C(Br)C[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000920210981 1322149704 /nfs/dbraw/zinc/14/97/04/1322149704.db2.gz WRULJTXUGAMHDT-UHFFFAOYSA-N 1 2 329.282 3.056 20 30 EGEDLO C#CCOc1ccccc1C[N@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000920490370 1322183682 /nfs/dbraw/zinc/18/36/82/1322183682.db2.gz QENAEBBWJKSDQO-UHFFFAOYSA-N 1 2 336.435 3.386 20 30 EGEDLO C#CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000920490370 1322183685 /nfs/dbraw/zinc/18/36/85/1322183685.db2.gz QENAEBBWJKSDQO-UHFFFAOYSA-N 1 2 336.435 3.386 20 30 EGEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2oc3ccccc3c2CSC)C1 ZINC000923597783 1322779649 /nfs/dbraw/zinc/77/96/49/1322779649.db2.gz QCLPLDVIPMDSDI-AWEZNQCLSA-N 1 2 342.464 3.123 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2oc3ccccc3c2CSC)C1 ZINC000923597783 1322779651 /nfs/dbraw/zinc/77/96/51/1322779651.db2.gz QCLPLDVIPMDSDI-AWEZNQCLSA-N 1 2 342.464 3.123 20 30 EGEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000852319694 1323178184 /nfs/dbraw/zinc/17/81/84/1323178184.db2.gz QWICXJOOAJNJOS-UOEVCUDDSA-N 1 2 337.467 3.493 20 30 EGEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000852319694 1323178191 /nfs/dbraw/zinc/17/81/91/1323178191.db2.gz QWICXJOOAJNJOS-UOEVCUDDSA-N 1 2 337.467 3.493 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2oc(C)nc2c1 ZINC001024503298 1323450731 /nfs/dbraw/zinc/45/07/31/1323450731.db2.gz ZKFGETQNLNWMIS-OAHLLOKOSA-N 1 2 347.846 3.473 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2oc(C)nc2c1 ZINC001024503298 1323450734 /nfs/dbraw/zinc/45/07/34/1323450734.db2.gz ZKFGETQNLNWMIS-OAHLLOKOSA-N 1 2 347.846 3.473 20 30 EGEDLO Cc1cocc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001024603909 1323532732 /nfs/dbraw/zinc/53/27/32/1323532732.db2.gz HDRVZVXWCLWBOP-GOSISDBHSA-N 1 2 337.423 3.244 20 30 EGEDLO Cc1cocc1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001024603909 1323532734 /nfs/dbraw/zinc/53/27/34/1323532734.db2.gz HDRVZVXWCLWBOP-GOSISDBHSA-N 1 2 337.423 3.244 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCCC[N@H+]2Cc2snnc2C)CC1 ZINC001024634058 1323560283 /nfs/dbraw/zinc/56/02/83/1323560283.db2.gz QXBDBZLURKPGPF-MRXNPFEDSA-N 1 2 348.516 3.064 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2snnc2C)CC1 ZINC001024634058 1323560288 /nfs/dbraw/zinc/56/02/88/1323560288.db2.gz QXBDBZLURKPGPF-MRXNPFEDSA-N 1 2 348.516 3.064 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1occ2c1CCCC2 ZINC001024779135 1323682345 /nfs/dbraw/zinc/68/23/45/1323682345.db2.gz BCKIUAMVOGTKIQ-HNNXBMFYSA-N 1 2 336.863 3.495 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1occ2c1CCCC2 ZINC001024779135 1323682350 /nfs/dbraw/zinc/68/23/50/1323682350.db2.gz BCKIUAMVOGTKIQ-HNNXBMFYSA-N 1 2 336.863 3.495 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCCC[C@@H]1C[NH2+][C@@H](C)c1noc(C)n1 ZINC001025039235 1323841731 /nfs/dbraw/zinc/84/17/31/1323841731.db2.gz KPOBHIOTKXDZLL-DZGCQCFKSA-N 1 2 334.464 3.012 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCCC[C@H]1C[NH2+][C@H](C)c1noc(C)n1 ZINC001025039244 1323842281 /nfs/dbraw/zinc/84/22/81/1323842281.db2.gz KPOBHIOTKXDZLL-HIFRSBDPSA-N 1 2 334.464 3.012 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001027278351 1325399514 /nfs/dbraw/zinc/39/95/14/1325399514.db2.gz ZHCLHSAALZRQQT-HNNXBMFYSA-N 1 2 337.261 3.132 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001027278351 1325399520 /nfs/dbraw/zinc/39/95/20/1325399520.db2.gz ZHCLHSAALZRQQT-HNNXBMFYSA-N 1 2 337.261 3.132 20 30 EGEDLO C[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)C1CCC1 ZINC000964614378 1325580613 /nfs/dbraw/zinc/58/06/13/1325580613.db2.gz UXYOMNHTSGBWKT-HNAYVOBHSA-N 1 2 344.886 3.318 20 30 EGEDLO C[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)C1CCC1 ZINC000964614378 1325580621 /nfs/dbraw/zinc/58/06/21/1325580621.db2.gz UXYOMNHTSGBWKT-HNAYVOBHSA-N 1 2 344.886 3.318 20 30 EGEDLO C[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C[C@@H]1NC(=O)CC1CC1 ZINC000964628112 1325586591 /nfs/dbraw/zinc/58/65/91/1325586591.db2.gz LTYBZCXTORUUJX-BEFAXECRSA-N 1 2 344.886 3.318 20 30 EGEDLO C[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C[C@@H]1NC(=O)CC1CC1 ZINC000964628112 1325586593 /nfs/dbraw/zinc/58/65/93/1325586593.db2.gz LTYBZCXTORUUJX-BEFAXECRSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)C2CC2)C1 ZINC001027539030 1327837433 /nfs/dbraw/zinc/83/74/33/1327837433.db2.gz JSZQIRLFXCRVFA-CQSZACIVSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)C2CC2)C1 ZINC001027539030 1327837437 /nfs/dbraw/zinc/83/74/37/1327837437.db2.gz JSZQIRLFXCRVFA-CQSZACIVSA-N 1 2 343.309 3.254 20 30 EGEDLO N#Cc1ccc(NCC[NH2+][C@H](CCc2ccccc2)C(F)F)nc1 ZINC000927166466 1327903630 /nfs/dbraw/zinc/90/36/30/1327903630.db2.gz YQDWOVIWUNOUQZ-MRXNPFEDSA-N 1 2 330.382 3.221 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC23CCC3)C1 ZINC001027595875 1327943071 /nfs/dbraw/zinc/94/30/71/1327943071.db2.gz IZSBHTGMZXOHOI-KGLIPLIRSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC23CCC3)C1 ZINC001027595875 1327943081 /nfs/dbraw/zinc/94/30/81/1327943081.db2.gz IZSBHTGMZXOHOI-KGLIPLIRSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC23CCC3)C1 ZINC001027595874 1327943954 /nfs/dbraw/zinc/94/39/54/1327943954.db2.gz IZSBHTGMZXOHOI-KBPBESRZSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC23CCC3)C1 ZINC001027595874 1327943957 /nfs/dbraw/zinc/94/39/57/1327943957.db2.gz IZSBHTGMZXOHOI-KBPBESRZSA-N 1 2 341.293 3.008 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2cccs2)c(F)c1 ZINC001027734107 1328158735 /nfs/dbraw/zinc/15/87/35/1328158735.db2.gz QTSGITDREXCANO-OAHLLOKOSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)c2cccs2)c(F)c1 ZINC001027734107 1328158738 /nfs/dbraw/zinc/15/87/38/1328158738.db2.gz QTSGITDREXCANO-OAHLLOKOSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)c2sccc2F)s1 ZINC001027861902 1328321359 /nfs/dbraw/zinc/32/13/59/1328321359.db2.gz GSAWDVCDYFCVDF-LLVKDONJSA-N 1 2 349.456 3.215 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2sccc2F)s1 ZINC001027861902 1328321368 /nfs/dbraw/zinc/32/13/68/1328321368.db2.gz GSAWDVCDYFCVDF-LLVKDONJSA-N 1 2 349.456 3.215 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(F)ccc2F)C1 ZINC000966718417 1328390846 /nfs/dbraw/zinc/39/08/46/1328390846.db2.gz CUWJEVNKCYCSEN-BONVTDFDSA-N 1 2 328.790 3.158 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(F)ccc2F)C1 ZINC000966718417 1328390855 /nfs/dbraw/zinc/39/08/55/1328390855.db2.gz CUWJEVNKCYCSEN-BONVTDFDSA-N 1 2 328.790 3.158 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnc2c(F)cccc2c1 ZINC001028030296 1328494287 /nfs/dbraw/zinc/49/42/87/1328494287.db2.gz XRLWEJNZILQIND-OAHLLOKOSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc2c(F)cccc2c1 ZINC001028030296 1328494290 /nfs/dbraw/zinc/49/42/90/1328494290.db2.gz XRLWEJNZILQIND-OAHLLOKOSA-N 1 2 347.821 3.321 20 30 EGEDLO CC(=O)N1CCN(c2ccc([NH2+]CC(C)(C)CCC#N)cc2)CC1 ZINC000865863867 1329746960 /nfs/dbraw/zinc/74/69/60/1329746960.db2.gz GWMXTMAJXAKBBI-UHFFFAOYSA-N 1 2 328.460 3.097 20 30 EGEDLO CC(=O)Nc1nc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)cs1 ZINC000933613704 1329906102 /nfs/dbraw/zinc/90/61/02/1329906102.db2.gz FJVGURDXYNUFPW-UHFFFAOYSA-N 1 2 340.452 3.353 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C4CC4)o3)[C@@H](C)C2)C1 ZINC000947702899 1333233591 /nfs/dbraw/zinc/23/35/91/1333233591.db2.gz ULXFFQMFXULCHM-HOCLYGCPSA-N 1 2 343.471 3.377 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C4CC4)o3)[C@@H](C)C2)C1 ZINC000947702899 1333233595 /nfs/dbraw/zinc/23/35/95/1333233595.db2.gz ULXFFQMFXULCHM-HOCLYGCPSA-N 1 2 343.471 3.377 20 30 EGEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)C[C@@H]3CCC(F)(F)C3)CC2)c1 ZINC000948678452 1333624231 /nfs/dbraw/zinc/62/42/31/1333624231.db2.gz KWIVYWDVQCXNEH-HNNXBMFYSA-N 1 2 347.409 3.028 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1oc(CC)nc1C ZINC000948977908 1333754651 /nfs/dbraw/zinc/75/46/51/1333754651.db2.gz FBQZUSQHHRFCDW-KRWDZBQOSA-N 1 2 339.439 3.061 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1oc(CC)nc1C ZINC000948977908 1333754654 /nfs/dbraw/zinc/75/46/54/1333754654.db2.gz FBQZUSQHHRFCDW-KRWDZBQOSA-N 1 2 339.439 3.061 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](CCOc2ccccc2C)CC1 ZINC000949631989 1333886279 /nfs/dbraw/zinc/88/62/79/1333886279.db2.gz YWKMHYVRBGPYEK-UHFFFAOYSA-N 1 2 330.472 3.120 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(C(F)F)ccc2F)C1 ZINC000950336395 1334045233 /nfs/dbraw/zinc/04/52/33/1334045233.db2.gz LVKVGGPPAJBUSM-UHFFFAOYSA-N 1 2 326.362 3.486 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)C1 ZINC000950969917 1334162614 /nfs/dbraw/zinc/16/26/14/1334162614.db2.gz HJRCRGSSPBMARM-RBUKOAKNSA-N 1 2 330.447 3.428 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccnc3ccccc32)C1 ZINC000967279865 1335687375 /nfs/dbraw/zinc/68/73/75/1335687375.db2.gz SPWASCPPQWWCFH-FZKQIMNGSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccnc3ccccc32)C1 ZINC000967279865 1335687378 /nfs/dbraw/zinc/68/73/78/1335687378.db2.gz SPWASCPPQWWCFH-FZKQIMNGSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)C2CCOCC2)C1 ZINC000967289063 1335690811 /nfs/dbraw/zinc/69/08/11/1335690811.db2.gz RATOAAJNSVDGEX-XJKSGUPXSA-N 1 2 342.911 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)C2CCOCC2)C1 ZINC000967289063 1335690813 /nfs/dbraw/zinc/69/08/13/1335690813.db2.gz RATOAAJNSVDGEX-XJKSGUPXSA-N 1 2 342.911 3.018 20 30 EGEDLO C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C1(C)CCC1 ZINC000967750570 1335812037 /nfs/dbraw/zinc/81/20/37/1335812037.db2.gz SQIJKLGZMGKKSV-KBXCAEBGSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C1(C)CCC1 ZINC000967750570 1335812039 /nfs/dbraw/zinc/81/20/39/1335812039.db2.gz SQIJKLGZMGKKSV-KBXCAEBGSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](CC=C(Cl)Cl)CC[C@@H]2C)C1 ZINC000968275858 1335882619 /nfs/dbraw/zinc/88/26/19/1335882619.db2.gz TUTBTPZPPAEFKG-STQMWFEESA-N 1 2 331.287 3.488 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](CC=C(Cl)Cl)CC[C@@H]2C)C1 ZINC000968275858 1335882622 /nfs/dbraw/zinc/88/26/22/1335882622.db2.gz TUTBTPZPPAEFKG-STQMWFEESA-N 1 2 331.287 3.488 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3ccn(C)c3c2)C1 ZINC000968503965 1335944489 /nfs/dbraw/zinc/94/44/89/1335944489.db2.gz CWSHKAGPTFZVMW-GUYCJALGSA-N 1 2 345.874 3.371 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3ccn(C)c3c2)C1 ZINC000968503965 1335944490 /nfs/dbraw/zinc/94/44/90/1335944490.db2.gz CWSHKAGPTFZVMW-GUYCJALGSA-N 1 2 345.874 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000968508547 1335947229 /nfs/dbraw/zinc/94/72/29/1335947229.db2.gz AZKBIOQTXNQNAC-BDJLRTHQSA-N 1 2 346.862 3.064 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000968508547 1335947233 /nfs/dbraw/zinc/94/72/33/1335947233.db2.gz AZKBIOQTXNQNAC-BDJLRTHQSA-N 1 2 346.862 3.064 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC000968598887 1335978626 /nfs/dbraw/zinc/97/86/26/1335978626.db2.gz NFUCBILKWJCCGJ-SJKOYZFVSA-N 1 2 333.863 3.152 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC000968598887 1335978627 /nfs/dbraw/zinc/97/86/27/1335978627.db2.gz NFUCBILKWJCCGJ-SJKOYZFVSA-N 1 2 333.863 3.152 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc3oc(C)nc32)C1 ZINC000968687478 1336011452 /nfs/dbraw/zinc/01/14/52/1336011452.db2.gz BNEGSCODLLCMMI-NHYWBVRUSA-N 1 2 347.846 3.329 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc3oc(C)nc32)C1 ZINC000968687478 1336011453 /nfs/dbraw/zinc/01/14/53/1336011453.db2.gz BNEGSCODLLCMMI-NHYWBVRUSA-N 1 2 347.846 3.329 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC12CC2 ZINC000969044463 1336126063 /nfs/dbraw/zinc/12/60/63/1336126063.db2.gz QPZDWNAMMMNDJW-UONOGXRCSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC12CC2 ZINC000969044463 1336126065 /nfs/dbraw/zinc/12/60/65/1336126065.db2.gz QPZDWNAMMMNDJW-UONOGXRCSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1nc(C)c(C)s1 ZINC000969149971 1336163083 /nfs/dbraw/zinc/16/30/83/1336163083.db2.gz AHGDVWRLBHDXNA-AWEZNQCLSA-N 1 2 341.908 3.487 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1nc(C)c(C)s1 ZINC000969149971 1336163086 /nfs/dbraw/zinc/16/30/86/1336163086.db2.gz AHGDVWRLBHDXNA-AWEZNQCLSA-N 1 2 341.908 3.487 20 30 EGEDLO Cc1ccsc1C(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969213012 1336178572 /nfs/dbraw/zinc/17/85/72/1336178572.db2.gz MHFRNZRYFMICLB-AWEZNQCLSA-N 1 2 339.464 3.179 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2coc3cc(F)ccc23)C1 ZINC000970012104 1336271486 /nfs/dbraw/zinc/27/14/86/1336271486.db2.gz KNTIBCOZRYKRIG-NSHDSACASA-N 1 2 336.794 3.375 20 30 EGEDLO Cc1cc(C(=O)N[C@@H](C)C2C[NH+](Cc3ccccc3C#N)C2)cs1 ZINC000970588902 1336324942 /nfs/dbraw/zinc/32/49/42/1336324942.db2.gz ILURXUTWBOMSSA-AWEZNQCLSA-N 1 2 339.464 3.179 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc3scnc3c2)C1 ZINC000970677195 1336332702 /nfs/dbraw/zinc/33/27/02/1336332702.db2.gz VLFXVISSMRPNQU-NSHDSACASA-N 1 2 335.860 3.099 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2CC[NH+](Cc3nc(C)c(C)o3)CC2)C1 ZINC001005933051 1336424963 /nfs/dbraw/zinc/42/49/63/1336424963.db2.gz MXUSFOLQSPOOOX-UHFFFAOYSA-N 1 2 331.460 3.071 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@H]2C[C@H]2C(C)C)CC1 ZINC001006222029 1336469691 /nfs/dbraw/zinc/46/96/91/1336469691.db2.gz ZSRJOIZJOAJZHL-GJZGRUSLSA-N 1 2 343.309 3.110 20 30 EGEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)C1CCCCC1 ZINC001006611505 1336538841 /nfs/dbraw/zinc/53/88/41/1336538841.db2.gz XVKKLNSFISKEOH-FQEVSTJZSA-N 1 2 342.458 3.338 20 30 EGEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)C1CCCCC1 ZINC001006611505 1336538842 /nfs/dbraw/zinc/53/88/42/1336538842.db2.gz XVKKLNSFISKEOH-FQEVSTJZSA-N 1 2 342.458 3.338 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001008258930 1336806445 /nfs/dbraw/zinc/80/64/45/1336806445.db2.gz UBHHDAUREHHQLG-IAGOWNOFSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001008258930 1336806447 /nfs/dbraw/zinc/80/64/47/1336806447.db2.gz UBHHDAUREHHQLG-IAGOWNOFSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3ncccc3c2)C1 ZINC001008387594 1336839627 /nfs/dbraw/zinc/83/96/27/1336839627.db2.gz SWHZTESVFATHFP-INIZCTEOSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc3ncccc3c2)C1 ZINC001008387594 1336839631 /nfs/dbraw/zinc/83/96/31/1336839631.db2.gz SWHZTESVFATHFP-INIZCTEOSA-N 1 2 329.831 3.182 20 30 EGEDLO CC1(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)CC=CC1 ZINC001008426051 1336849443 /nfs/dbraw/zinc/84/94/43/1336849443.db2.gz DWRNEDOBGWHHPZ-KRWDZBQOSA-N 1 2 341.430 3.134 20 30 EGEDLO CC1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)CC=CC1 ZINC001008426051 1336849446 /nfs/dbraw/zinc/84/94/46/1336849446.db2.gz DWRNEDOBGWHHPZ-KRWDZBQOSA-N 1 2 341.430 3.134 20 30 EGEDLO CCc1ccoc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001008433333 1336852392 /nfs/dbraw/zinc/85/23/92/1336852392.db2.gz MPGYQTUIPDUWST-SFHVURJKSA-N 1 2 337.423 3.108 20 30 EGEDLO CCc1ccoc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001008433333 1336852393 /nfs/dbraw/zinc/85/23/93/1336852393.db2.gz MPGYQTUIPDUWST-SFHVURJKSA-N 1 2 337.423 3.108 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1)C1CCCC1 ZINC001009151525 1336977305 /nfs/dbraw/zinc/97/73/05/1336977305.db2.gz GQEWEKRUFIUPHW-OXJNMPFZSA-N 1 2 339.483 3.465 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1)C1CCCC1 ZINC001009151525 1336977306 /nfs/dbraw/zinc/97/73/06/1336977306.db2.gz GQEWEKRUFIUPHW-OXJNMPFZSA-N 1 2 339.483 3.465 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC001009277572 1336995989 /nfs/dbraw/zinc/99/59/89/1336995989.db2.gz YSJFOUMQEJDBGS-ZWOKBUDYSA-N 1 2 339.483 3.465 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC001009277572 1336995991 /nfs/dbraw/zinc/99/59/91/1336995991.db2.gz YSJFOUMQEJDBGS-ZWOKBUDYSA-N 1 2 339.483 3.465 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccc3oc(C)nc32)C1 ZINC001009671723 1337058000 /nfs/dbraw/zinc/05/80/00/1337058000.db2.gz JGMPSJQJZWHDIC-CYBMUJFWSA-N 1 2 333.819 3.083 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc3oc(C)nc32)C1 ZINC001009671723 1337058004 /nfs/dbraw/zinc/05/80/04/1337058004.db2.gz JGMPSJQJZWHDIC-CYBMUJFWSA-N 1 2 333.819 3.083 20 30 EGEDLO Cc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)c1 ZINC001010017124 1337142973 /nfs/dbraw/zinc/14/29/73/1337142973.db2.gz PDBKLEPTWZNHJX-SFHVURJKSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)c1 ZINC001010017124 1337142976 /nfs/dbraw/zinc/14/29/76/1337142976.db2.gz PDBKLEPTWZNHJX-SFHVURJKSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1occc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001010129573 1337146208 /nfs/dbraw/zinc/14/62/08/1337146208.db2.gz XUEYAXLLWHCOLY-KRWDZBQOSA-N 1 2 342.826 3.097 20 30 EGEDLO Cc1occc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001010129573 1337146209 /nfs/dbraw/zinc/14/62/09/1337146209.db2.gz XUEYAXLLWHCOLY-KRWDZBQOSA-N 1 2 342.826 3.097 20 30 EGEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1sccc1Cl ZINC001014521332 1337806079 /nfs/dbraw/zinc/80/60/79/1337806079.db2.gz IVSLHFJUQUJTHK-OAHLLOKOSA-N 1 2 344.867 3.257 20 30 EGEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1sccc1Cl ZINC001014521332 1337806083 /nfs/dbraw/zinc/80/60/83/1337806083.db2.gz IVSLHFJUQUJTHK-OAHLLOKOSA-N 1 2 344.867 3.257 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2ccc3occc3c2)C1 ZINC001014523833 1337807384 /nfs/dbraw/zinc/80/73/84/1337807384.db2.gz NJGRSGPFQQONKS-IBGZPJMESA-N 1 2 345.402 3.309 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2ccc3occc3c2)C1 ZINC001014523833 1337807386 /nfs/dbraw/zinc/80/73/86/1337807386.db2.gz NJGRSGPFQQONKS-IBGZPJMESA-N 1 2 345.402 3.309 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC001014725961 1337887047 /nfs/dbraw/zinc/88/70/47/1337887047.db2.gz SWXIIRTXSOORIU-ZDUSSCGKSA-N 1 2 349.887 3.393 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC001014725961 1337887050 /nfs/dbraw/zinc/88/70/50/1337887050.db2.gz SWXIIRTXSOORIU-ZDUSSCGKSA-N 1 2 349.887 3.393 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)C[C@H]3C=CCCC3)C2)c1 ZINC001014910054 1337946728 /nfs/dbraw/zinc/94/67/28/1337946728.db2.gz PBUZTTHWRUNLGD-MAUKXSAKSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)C[C@H]3C=CCCC3)C2)c1 ZINC001014910054 1337946731 /nfs/dbraw/zinc/94/67/31/1337946731.db2.gz PBUZTTHWRUNLGD-MAUKXSAKSA-N 1 2 341.430 3.134 20 30 EGEDLO CCc1ccc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)s1 ZINC001015146767 1338033598 /nfs/dbraw/zinc/03/35/98/1338033598.db2.gz BFMIGIHMFZZPFB-QGZVFWFLSA-N 1 2 338.476 3.166 20 30 EGEDLO CCc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)s1 ZINC001015146767 1338033602 /nfs/dbraw/zinc/03/36/02/1338033602.db2.gz BFMIGIHMFZZPFB-QGZVFWFLSA-N 1 2 338.476 3.166 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C2)CC1 ZINC001015660011 1338239453 /nfs/dbraw/zinc/23/94/53/1338239453.db2.gz PFPRHFDANTWVTF-INIZCTEOSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C2)CC1 ZINC001015660011 1338239457 /nfs/dbraw/zinc/23/94/57/1338239457.db2.gz PFPRHFDANTWVTF-INIZCTEOSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3nsc4ccccc43)C2)C1 ZINC001015676345 1338253000 /nfs/dbraw/zinc/25/30/00/1338253000.db2.gz JWICLOUWJDWBLC-CQSZACIVSA-N 1 2 341.480 3.343 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3nsc4ccccc43)C2)C1 ZINC001015676345 1338253002 /nfs/dbraw/zinc/25/30/02/1338253002.db2.gz JWICLOUWJDWBLC-CQSZACIVSA-N 1 2 341.480 3.343 20 30 EGEDLO CCc1oc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)cc1C ZINC001015982814 1338392555 /nfs/dbraw/zinc/39/25/55/1338392555.db2.gz VLZRISSUZKZRHT-SFHVURJKSA-N 1 2 336.435 3.006 20 30 EGEDLO CCc1oc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)cc1C ZINC001015982814 1338392569 /nfs/dbraw/zinc/39/25/69/1338392569.db2.gz VLZRISSUZKZRHT-SFHVURJKSA-N 1 2 336.435 3.006 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cccc3ccccc32)C1 ZINC001016076355 1338448386 /nfs/dbraw/zinc/44/83/86/1338448386.db2.gz WYXAYJQCEKNSKM-QGZVFWFLSA-N 1 2 328.843 3.325 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cccc3ccccc32)C1 ZINC001016076355 1338448389 /nfs/dbraw/zinc/44/83/89/1338448389.db2.gz WYXAYJQCEKNSKM-QGZVFWFLSA-N 1 2 328.843 3.325 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)sc1C ZINC001016209571 1338510119 /nfs/dbraw/zinc/51/01/19/1338510119.db2.gz CGVZCEFQDJCSNO-SFHVURJKSA-N 1 2 338.476 3.221 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)sc1C ZINC001016209571 1338510124 /nfs/dbraw/zinc/51/01/24/1338510124.db2.gz CGVZCEFQDJCSNO-SFHVURJKSA-N 1 2 338.476 3.221 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(F)F)c(F)c1 ZINC001017938754 1339460684 /nfs/dbraw/zinc/46/06/84/1339460684.db2.gz ILWNMYRZBJHOOV-OKILXGFUSA-N 1 2 336.357 3.075 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(F)F)c(F)c1 ZINC001017938754 1339460685 /nfs/dbraw/zinc/46/06/85/1339460685.db2.gz ILWNMYRZBJHOOV-OKILXGFUSA-N 1 2 336.357 3.075 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1cc2ccccc2o1 ZINC001018159553 1339518717 /nfs/dbraw/zinc/51/87/17/1339518717.db2.gz RYSQSBFPHMFXCV-RYQLBKOJSA-N 1 2 336.435 3.235 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1cc2ccccc2o1 ZINC001018159553 1339518719 /nfs/dbraw/zinc/51/87/19/1339518719.db2.gz RYSQSBFPHMFXCV-RYQLBKOJSA-N 1 2 336.435 3.235 20 30 EGEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(s1)CCCCC2 ZINC001018239507 1339544869 /nfs/dbraw/zinc/54/48/69/1339544869.db2.gz SEQSPLMZGROAAL-IYBDPMFKSA-N 1 2 330.497 3.492 20 30 EGEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(s1)CCCCC2 ZINC001018239507 1339544872 /nfs/dbraw/zinc/54/48/72/1339544872.db2.gz SEQSPLMZGROAAL-IYBDPMFKSA-N 1 2 330.497 3.492 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)cc1OC ZINC001028104300 1340427766 /nfs/dbraw/zinc/42/77/66/1340427766.db2.gz AEMFNBXVMJMGOW-ZDUSSCGKSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)cc1OC ZINC001028104300 1340427769 /nfs/dbraw/zinc/42/77/69/1340427769.db2.gz AEMFNBXVMJMGOW-ZDUSSCGKSA-N 1 2 343.254 3.295 20 30 EGEDLO CCc1ccoc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC001028117548 1340438240 /nfs/dbraw/zinc/43/82/40/1340438240.db2.gz QKZAYRFWNYNANI-SFHVURJKSA-N 1 2 337.423 3.108 20 30 EGEDLO CCc1ccoc1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC001028117548 1340438241 /nfs/dbraw/zinc/43/82/41/1340438241.db2.gz QKZAYRFWNYNANI-SFHVURJKSA-N 1 2 337.423 3.108 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)C1CCC(F)CC1 ZINC001028118418 1340439132 /nfs/dbraw/zinc/43/91/32/1340439132.db2.gz ZSMIAESRDBBWKH-RUXDESIVSA-N 1 2 347.272 3.004 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)C1CCC(F)CC1 ZINC001028118418 1340439135 /nfs/dbraw/zinc/43/91/35/1340439135.db2.gz ZSMIAESRDBBWKH-RUXDESIVSA-N 1 2 347.272 3.004 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2nc(C)sc2C)CC[C@H]1C ZINC001071606538 1354791642 /nfs/dbraw/zinc/79/16/42/1354791642.db2.gz JUOVFXWIQQHHIA-ZWNOBZJWSA-N 1 2 327.881 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2nc(C)sc2C)CC[C@H]1C ZINC001071606538 1354791643 /nfs/dbraw/zinc/79/16/43/1354791643.db2.gz JUOVFXWIQQHHIA-ZWNOBZJWSA-N 1 2 327.881 3.095 20 30 EGEDLO O=C(CCC1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(F)cc1 ZINC001029248511 1340961120 /nfs/dbraw/zinc/96/11/20/1340961120.db2.gz ZYBMVYXQWRCCDA-BGYRXZFFSA-N 1 2 340.442 3.043 20 30 EGEDLO O=C(CCC1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001029248511 1340961121 /nfs/dbraw/zinc/96/11/21/1340961121.db2.gz ZYBMVYXQWRCCDA-BGYRXZFFSA-N 1 2 340.442 3.043 20 30 EGEDLO C=CCn1cccc1C(=O)NC1C[NH+](Cc2ccc(CCC)cc2)C1 ZINC001030446240 1341188377 /nfs/dbraw/zinc/18/83/77/1341188377.db2.gz AUGJOEMKMSFTRF-UHFFFAOYSA-N 1 2 337.467 3.241 20 30 EGEDLO CCCc1ccc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)cc1 ZINC001031937341 1341426308 /nfs/dbraw/zinc/42/63/08/1341426308.db2.gz XYJJNZUBTWRRRN-UHFFFAOYSA-N 1 2 347.462 3.373 20 30 EGEDLO C[C@@H]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001031939431 1341427014 /nfs/dbraw/zinc/42/70/14/1341427014.db2.gz UARVWBVTUDQXQT-RHSMWYFYSA-N 1 2 343.446 3.072 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001032141250 1341461787 /nfs/dbraw/zinc/46/17/87/1341461787.db2.gz LGOCQZMMJFRXIK-CZIWCDLHSA-N 1 2 343.446 3.072 20 30 EGEDLO Cc1cccc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)c1C ZINC001032165622 1341466873 /nfs/dbraw/zinc/46/68/73/1341466873.db2.gz PRHIETPBPLAOQO-UHFFFAOYSA-N 1 2 333.435 3.037 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC=CCCC2)c1 ZINC001032471939 1341516738 /nfs/dbraw/zinc/51/67/38/1341516738.db2.gz FDHKWKDQRCXYQQ-HKBOAZHASA-N 1 2 349.478 3.480 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC=CCCC2)c1 ZINC001032471939 1341516739 /nfs/dbraw/zinc/51/67/39/1341516739.db2.gz FDHKWKDQRCXYQQ-HKBOAZHASA-N 1 2 349.478 3.480 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1c(F)cccc1F ZINC001032606434 1341556392 /nfs/dbraw/zinc/55/63/92/1341556392.db2.gz UDICERQSDLUFNW-AVYPCKFXSA-N 1 2 348.437 3.395 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1c(F)cccc1F ZINC001032606434 1341556393 /nfs/dbraw/zinc/55/63/93/1341556393.db2.gz UDICERQSDLUFNW-AVYPCKFXSA-N 1 2 348.437 3.395 20 30 EGEDLO CC(C)n1cccc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032786130 1341613595 /nfs/dbraw/zinc/61/35/95/1341613595.db2.gz OXYAUBMBYRTPGY-OALUTQOASA-N 1 2 348.450 3.040 20 30 EGEDLO CC(C)n1cccc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032786130 1341613596 /nfs/dbraw/zinc/61/35/96/1341613596.db2.gz OXYAUBMBYRTPGY-OALUTQOASA-N 1 2 348.450 3.040 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C=C2CCCCC2)C1 ZINC001032939673 1341670802 /nfs/dbraw/zinc/67/08/02/1341670802.db2.gz AIXJWFSQRDPWJZ-OAHLLOKOSA-N 1 2 341.293 3.318 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C=C2CCCCC2)C1 ZINC001032939673 1341670801 /nfs/dbraw/zinc/67/08/01/1341670801.db2.gz AIXJWFSQRDPWJZ-OAHLLOKOSA-N 1 2 341.293 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2COc3cc(C)c(C)cc32)C1 ZINC001033299891 1341771138 /nfs/dbraw/zinc/77/11/38/1341771138.db2.gz VWLXXWYQMVKWND-WBVHZDCISA-N 1 2 348.874 3.065 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2COc3cc(C)c(C)cc32)C1 ZINC001033299891 1341771140 /nfs/dbraw/zinc/77/11/40/1341771140.db2.gz VWLXXWYQMVKWND-WBVHZDCISA-N 1 2 348.874 3.065 20 30 EGEDLO CN(C(=O)[C@@]1(C)C=CCC1)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033329552 1341783250 /nfs/dbraw/zinc/78/32/50/1341783250.db2.gz AZAZPZJAGASKHK-ICSRJNTNSA-N 1 2 341.430 3.086 20 30 EGEDLO CN(C(=O)[C@@]1(C)C=CCC1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033329552 1341783251 /nfs/dbraw/zinc/78/32/51/1341783251.db2.gz AZAZPZJAGASKHK-ICSRJNTNSA-N 1 2 341.430 3.086 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(F)c3ccncc23)C1 ZINC001033354851 1341794174 /nfs/dbraw/zinc/79/41/74/1341794174.db2.gz SCHWHBPNQSFSBX-ZDUSSCGKSA-N 1 2 347.821 3.273 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(F)c3ccncc23)C1 ZINC001033354851 1341794175 /nfs/dbraw/zinc/79/41/75/1341794175.db2.gz SCHWHBPNQSFSBX-ZDUSSCGKSA-N 1 2 347.821 3.273 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(F)c(F)cc2F)C1 ZINC001033385163 1341805603 /nfs/dbraw/zinc/80/56/03/1341805603.db2.gz USSDCDATHFOREU-SNVBAGLBSA-N 1 2 332.753 3.003 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(F)c(F)cc2F)C1 ZINC001033385163 1341805606 /nfs/dbraw/zinc/80/56/06/1341805606.db2.gz USSDCDATHFOREU-SNVBAGLBSA-N 1 2 332.753 3.003 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC001033495032 1341846206 /nfs/dbraw/zinc/84/62/06/1341846206.db2.gz OFAQKJWGPZKSRG-RRFJBIMHSA-N 1 2 338.904 3.445 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC001033495032 1341846207 /nfs/dbraw/zinc/84/62/07/1341846207.db2.gz OFAQKJWGPZKSRG-RRFJBIMHSA-N 1 2 338.904 3.445 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1 ZINC001033495866 1341846530 /nfs/dbraw/zinc/84/65/30/1341846530.db2.gz COIABSRSZSIGHY-HYVNUMGLSA-N 1 2 348.874 3.084 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1 ZINC001033495866 1341846533 /nfs/dbraw/zinc/84/65/33/1341846533.db2.gz COIABSRSZSIGHY-HYVNUMGLSA-N 1 2 348.874 3.084 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCc3ccccc3C2)C1 ZINC001033616677 1341904269 /nfs/dbraw/zinc/90/42/69/1341904269.db2.gz JJLNQMMWFOGDRE-VQIMIIECSA-N 1 2 346.902 3.467 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCc3ccccc3C2)C1 ZINC001033616677 1341904270 /nfs/dbraw/zinc/90/42/70/1341904270.db2.gz JJLNQMMWFOGDRE-VQIMIIECSA-N 1 2 346.902 3.467 20 30 EGEDLO C=CCOc1ccc(CC(=O)N(C)[C@@H]2CC[N@H+](CC(=C)Cl)C2)cc1 ZINC001033693265 1341957972 /nfs/dbraw/zinc/95/79/72/1341957972.db2.gz RDGAKNGZTODPST-QGZVFWFLSA-N 1 2 348.874 3.079 20 30 EGEDLO C=CCOc1ccc(CC(=O)N(C)[C@@H]2CC[N@@H+](CC(=C)Cl)C2)cc1 ZINC001033693265 1341957976 /nfs/dbraw/zinc/95/79/76/1341957976.db2.gz RDGAKNGZTODPST-QGZVFWFLSA-N 1 2 348.874 3.079 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC001033715663 1341973320 /nfs/dbraw/zinc/97/33/20/1341973320.db2.gz PBLCSDNLYVQCNT-CYBMUJFWSA-N 1 2 335.810 3.206 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC001033715663 1341973321 /nfs/dbraw/zinc/97/33/21/1341973321.db2.gz PBLCSDNLYVQCNT-CYBMUJFWSA-N 1 2 335.810 3.206 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C(C)C)nc2)C1 ZINC001033853773 1342045555 /nfs/dbraw/zinc/04/55/55/1342045555.db2.gz CQKCWVZUACVOGQ-MRXNPFEDSA-N 1 2 335.879 3.494 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C(C)C)nc2)C1 ZINC001033853773 1342045557 /nfs/dbraw/zinc/04/55/57/1342045557.db2.gz CQKCWVZUACVOGQ-MRXNPFEDSA-N 1 2 335.879 3.494 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cccc3c2CCOC3)C1 ZINC001033897751 1342069424 /nfs/dbraw/zinc/06/94/24/1342069424.db2.gz PUUWHGFPAWXPCK-INIZCTEOSA-N 1 2 348.874 3.048 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc3c2CCOC3)C1 ZINC001033897751 1342069428 /nfs/dbraw/zinc/06/94/28/1342069428.db2.gz PUUWHGFPAWXPCK-INIZCTEOSA-N 1 2 348.874 3.048 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001033900742 1342072394 /nfs/dbraw/zinc/07/23/94/1342072394.db2.gz NKBUAFSUWTUSQC-HNNXBMFYSA-N 1 2 346.862 3.160 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001033900742 1342072396 /nfs/dbraw/zinc/07/23/96/1342072396.db2.gz NKBUAFSUWTUSQC-HNNXBMFYSA-N 1 2 346.862 3.160 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(F)cc2F)C1 ZINC001034030241 1342169866 /nfs/dbraw/zinc/16/98/66/1342169866.db2.gz YJVUMXKAFBWCCB-CYBMUJFWSA-N 1 2 328.790 3.254 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(F)cc2F)C1 ZINC001034030241 1342169872 /nfs/dbraw/zinc/16/98/72/1342169872.db2.gz YJVUMXKAFBWCCB-CYBMUJFWSA-N 1 2 328.790 3.254 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(N(C)CC)cc2)C1 ZINC001034057256 1342197953 /nfs/dbraw/zinc/19/79/53/1342197953.db2.gz SZHUBCYXMGTERO-GOSISDBHSA-N 1 2 349.906 3.432 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(N(C)CC)cc2)C1 ZINC001034057256 1342197957 /nfs/dbraw/zinc/19/79/57/1342197957.db2.gz SZHUBCYXMGTERO-GOSISDBHSA-N 1 2 349.906 3.432 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccnc(CCC)c2)C1 ZINC001034254086 1342348874 /nfs/dbraw/zinc/34/88/74/1342348874.db2.gz PDJRSMSQOALRRL-KRWDZBQOSA-N 1 2 335.879 3.371 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccnc(CCC)c2)C1 ZINC001034254086 1342348876 /nfs/dbraw/zinc/34/88/76/1342348876.db2.gz PDJRSMSQOALRRL-KRWDZBQOSA-N 1 2 335.879 3.371 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@@H+]([C@@H](C)c3nc(CC)no3)C2)C1 ZINC001034387793 1342456246 /nfs/dbraw/zinc/45/62/46/1342456246.db2.gz VUYMAOTXTHUULH-LSDHHAIUSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@H+]([C@@H](C)c3nc(CC)no3)C2)C1 ZINC001034387793 1342456249 /nfs/dbraw/zinc/45/62/49/1342456249.db2.gz VUYMAOTXTHUULH-LSDHHAIUSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@@H+]([C@H](C)c3nc(CC)no3)C2)C1 ZINC001034387791 1342456260 /nfs/dbraw/zinc/45/62/60/1342456260.db2.gz VUYMAOTXTHUULH-HUUCEWRRSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@H+]([C@H](C)c3nc(CC)no3)C2)C1 ZINC001034387791 1342456265 /nfs/dbraw/zinc/45/62/65/1342456265.db2.gz VUYMAOTXTHUULH-HUUCEWRRSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@@H+](Cc3csc(C)n3)C2)C1 ZINC001034387922 1342456525 /nfs/dbraw/zinc/45/65/25/1342456525.db2.gz XVTLZJQSVCZOIF-OAHLLOKOSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@H+](Cc3csc(C)n3)C2)C1 ZINC001034387922 1342456528 /nfs/dbraw/zinc/45/65/28/1342456528.db2.gz XVTLZJQSVCZOIF-OAHLLOKOSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@@H+]([C@H](C)c3ncc(C)o3)C2)C1 ZINC001034389265 1342458604 /nfs/dbraw/zinc/45/86/04/1342458604.db2.gz NYEYNRQYXPHORI-CVEARBPZSA-N 1 2 331.460 3.371 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@H+]([C@H](C)c3ncc(C)o3)C2)C1 ZINC001034389265 1342458607 /nfs/dbraw/zinc/45/86/07/1342458607.db2.gz NYEYNRQYXPHORI-CVEARBPZSA-N 1 2 331.460 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2Cc3cccc(C)c3O2)C1 ZINC001034563499 1342618717 /nfs/dbraw/zinc/61/87/17/1342618717.db2.gz JVCKHGYUNXGZKD-IAGOWNOFSA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2Cc3cccc(C)c3O2)C1 ZINC001034563499 1342618720 /nfs/dbraw/zinc/61/87/20/1342618720.db2.gz JVCKHGYUNXGZKD-IAGOWNOFSA-N 1 2 348.874 3.022 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[NH2+]Cc2nc(C(C)C)no2)CC1 ZINC001035035162 1342888885 /nfs/dbraw/zinc/88/88/85/1342888885.db2.gz FZLAGQJMJNTIOM-MRXNPFEDSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2oc3ccccc3c2CC)C1 ZINC001035623680 1343105630 /nfs/dbraw/zinc/10/56/30/1343105630.db2.gz DDMCBVAYXYXKRM-OAHLLOKOSA-N 1 2 342.439 3.002 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2oc3ccccc3c2CC)C1 ZINC001035623680 1343105637 /nfs/dbraw/zinc/10/56/37/1343105637.db2.gz DDMCBVAYXYXKRM-OAHLLOKOSA-N 1 2 342.439 3.002 20 30 EGEDLO C/C=C(\C)C(=O)N1CCC2(C[NH+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001035684000 1343139884 /nfs/dbraw/zinc/13/98/84/1343139884.db2.gz PEUNBPGXPQIPTP-CRKCGEKBSA-N 1 2 341.430 3.088 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC2(C[NH+](Cc3nc(C)c(C)o3)C2)CC1 ZINC001035762123 1343175859 /nfs/dbraw/zinc/17/58/59/1343175859.db2.gz JPHMMBHCACLBRY-UHFFFAOYSA-N 1 2 345.487 3.318 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC2(C[NH+](Cc3nc(C)oc3C)C2)CC1 ZINC001035766552 1343178276 /nfs/dbraw/zinc/17/82/76/1343178276.db2.gz JATYOQFPQBXQNU-UHFFFAOYSA-N 1 2 345.487 3.318 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H](C)Oc1ccccc1)CC2 ZINC001035845184 1343226354 /nfs/dbraw/zinc/22/63/54/1343226354.db2.gz ARBDUZXATNCOOV-INIZCTEOSA-N 1 2 348.874 3.131 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)C2=CCCCCC2)s1 ZINC001038189726 1344316799 /nfs/dbraw/zinc/31/67/99/1344316799.db2.gz GGSCWAWLJDQKDS-HNNXBMFYSA-N 1 2 329.469 3.201 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)C2=CCCCCC2)s1 ZINC001038189726 1344316802 /nfs/dbraw/zinc/31/68/02/1344316802.db2.gz GGSCWAWLJDQKDS-HNNXBMFYSA-N 1 2 329.469 3.201 20 30 EGEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001038504574 1344457186 /nfs/dbraw/zinc/45/71/86/1344457186.db2.gz VSHNEWXGJWXQIK-GVDBMIGSSA-N 1 2 343.446 3.070 20 30 EGEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001038504574 1344457191 /nfs/dbraw/zinc/45/71/91/1344457191.db2.gz VSHNEWXGJWXQIK-GVDBMIGSSA-N 1 2 343.446 3.070 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]2CCOc2ccccc2F)CC1 ZINC001038668574 1344533296 /nfs/dbraw/zinc/53/32/96/1344533296.db2.gz VRWSTFHGEIKJST-QGZVFWFLSA-N 1 2 346.446 3.141 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCOc2ccccc2F)CC1 ZINC001038668574 1344533300 /nfs/dbraw/zinc/53/33/00/1344533300.db2.gz VRWSTFHGEIKJST-QGZVFWFLSA-N 1 2 346.446 3.141 20 30 EGEDLO CC(C)c1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)nc1 ZINC001038689512 1344544251 /nfs/dbraw/zinc/54/42/51/1344544251.db2.gz SFZCUTNOEMHUFP-LJQANCHMSA-N 1 2 348.450 3.081 20 30 EGEDLO CC(C)c1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)nc1 ZINC001038689512 1344544256 /nfs/dbraw/zinc/54/42/56/1344544256.db2.gz SFZCUTNOEMHUFP-LJQANCHMSA-N 1 2 348.450 3.081 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)ccc1OC ZINC001039401261 1345047550 /nfs/dbraw/zinc/04/75/50/1345047550.db2.gz RIYZJZCEPRWCDG-CVEARBPZSA-N 1 2 348.874 3.435 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)ccc1OC ZINC001039401261 1345047554 /nfs/dbraw/zinc/04/75/54/1345047554.db2.gz RIYZJZCEPRWCDG-CVEARBPZSA-N 1 2 348.874 3.435 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C2CC2)cn1 ZINC001039465228 1345083017 /nfs/dbraw/zinc/08/30/17/1345083017.db2.gz VMOGUORWYWKKGJ-SJORKVTESA-N 1 2 345.874 3.390 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C2CC2)cn1 ZINC001039465228 1345083019 /nfs/dbraw/zinc/08/30/19/1345083019.db2.gz VMOGUORWYWKKGJ-SJORKVTESA-N 1 2 345.874 3.390 20 30 EGEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(Cl)c1 ZINC001039532110 1345132217 /nfs/dbraw/zinc/13/22/17/1345132217.db2.gz HMPRCGAFEIVGDW-XYPHTWIQSA-N 1 2 331.847 3.065 20 30 EGEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(Cl)c1 ZINC001039532110 1345132220 /nfs/dbraw/zinc/13/22/20/1345132220.db2.gz HMPRCGAFEIVGDW-XYPHTWIQSA-N 1 2 331.847 3.065 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3conc3C(C)C)C[C@@H]21 ZINC001042090081 1345941440 /nfs/dbraw/zinc/94/14/40/1345941440.db2.gz IMXBVUYASLJHOJ-ZFWWWQNUSA-N 1 2 337.851 3.087 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3conc3C(C)C)C[C@@H]21 ZINC001042090081 1345941442 /nfs/dbraw/zinc/94/14/42/1345941442.db2.gz IMXBVUYASLJHOJ-ZFWWWQNUSA-N 1 2 337.851 3.087 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc4ncccc4o3)C[C@@H]21 ZINC001042155576 1345958531 /nfs/dbraw/zinc/95/85/31/1345958531.db2.gz LDYOCVNOGKMWHY-ZFWWWQNUSA-N 1 2 345.830 3.117 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3cc4ncccc4o3)C[C@@H]21 ZINC001042155576 1345958532 /nfs/dbraw/zinc/95/85/32/1345958532.db2.gz LDYOCVNOGKMWHY-ZFWWWQNUSA-N 1 2 345.830 3.117 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3cscn3)[C@H]2C1 ZINC001042185491 1345972865 /nfs/dbraw/zinc/97/28/65/1345972865.db2.gz SZXXNMDCFQMMTO-ZBFHGGJFSA-N 1 2 333.501 3.168 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cscn3)[C@H]2C1 ZINC001042185491 1345972866 /nfs/dbraw/zinc/97/28/66/1345972866.db2.gz SZXXNMDCFQMMTO-ZBFHGGJFSA-N 1 2 333.501 3.168 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+]([C@@H]3CCc4ccc(F)cc43)C2)C1 ZINC001043810257 1346212469 /nfs/dbraw/zinc/21/24/69/1346212469.db2.gz GEGRSNUCORIADA-GOSISDBHSA-N 1 2 328.431 3.312 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@@H]2C(C)C)CC1 ZINC001045604022 1346642319 /nfs/dbraw/zinc/64/23/19/1346642319.db2.gz MZBKLZUNNCJJIE-ZIAGYGMSSA-N 1 2 343.309 3.158 20 30 EGEDLO CCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1C#N ZINC001045697867 1346670220 /nfs/dbraw/zinc/67/02/20/1346670220.db2.gz ZLGJRXPIUNLRCE-MSOLQXFVSA-N 1 2 329.419 3.063 20 30 EGEDLO CCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1C#N ZINC001045697867 1346670222 /nfs/dbraw/zinc/67/02/22/1346670222.db2.gz ZLGJRXPIUNLRCE-MSOLQXFVSA-N 1 2 329.419 3.063 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csc(CC)n1 ZINC001045827568 1346710416 /nfs/dbraw/zinc/71/04/16/1346710416.db2.gz OYYUDGFFCBXVKL-CVEARBPZSA-N 1 2 347.528 3.483 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1csc(CC)n1 ZINC001045827568 1346710420 /nfs/dbraw/zinc/71/04/20/1346710420.db2.gz OYYUDGFFCBXVKL-CVEARBPZSA-N 1 2 347.528 3.483 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)c2ccccc2C)C1 ZINC001046115576 1346853415 /nfs/dbraw/zinc/85/34/15/1346853415.db2.gz WCQYMWAGNZQKNS-MRXNPFEDSA-N 1 2 337.261 3.098 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccccc2C)C1 ZINC001046115576 1346853418 /nfs/dbraw/zinc/85/34/18/1346853418.db2.gz WCQYMWAGNZQKNS-MRXNPFEDSA-N 1 2 337.261 3.098 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cccc([C@@H]3CCOC3)c2)C1 ZINC001046432729 1346974187 /nfs/dbraw/zinc/97/41/87/1346974187.db2.gz UOYFVVSTCQZRKX-IEBWSBKVSA-N 1 2 348.874 3.137 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cccc([C@@H]3CCOC3)c2)C1 ZINC001046432729 1346974190 /nfs/dbraw/zinc/97/41/90/1346974190.db2.gz UOYFVVSTCQZRKX-IEBWSBKVSA-N 1 2 348.874 3.137 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2coc3ccc(OC)cc32)C1 ZINC001046475328 1346987545 /nfs/dbraw/zinc/98/75/45/1346987545.db2.gz YWNWKVLKNBYTFV-GOSISDBHSA-N 1 2 348.830 3.388 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2coc3ccc(OC)cc32)C1 ZINC001046475328 1346987547 /nfs/dbraw/zinc/98/75/47/1346987547.db2.gz YWNWKVLKNBYTFV-GOSISDBHSA-N 1 2 348.830 3.388 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001046531722 1347006135 /nfs/dbraw/zinc/00/61/35/1347006135.db2.gz OSKGTUQKERCKFX-QGZVFWFLSA-N 1 2 335.810 3.254 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001046531722 1347006138 /nfs/dbraw/zinc/00/61/38/1347006138.db2.gz OSKGTUQKERCKFX-QGZVFWFLSA-N 1 2 335.810 3.254 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnn([C@H](C)CC)c2C)C1 ZINC001046763074 1347089346 /nfs/dbraw/zinc/08/93/46/1347089346.db2.gz MJPZTLGEYULEJJ-DYVFJYSZSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnn([C@H](C)CC)c2C)C1 ZINC001046763074 1347089349 /nfs/dbraw/zinc/08/93/49/1347089349.db2.gz MJPZTLGEYULEJJ-DYVFJYSZSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001046779338 1347095915 /nfs/dbraw/zinc/09/59/15/1347095915.db2.gz RJOJUXUBNLJKMQ-XNRPHZJLSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001046779338 1347095917 /nfs/dbraw/zinc/09/59/17/1347095917.db2.gz RJOJUXUBNLJKMQ-XNRPHZJLSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(F)cc2)C1 ZINC001046911607 1347150435 /nfs/dbraw/zinc/15/04/35/1347150435.db2.gz FHXNSYGSAHPZQG-CYBMUJFWSA-N 1 2 346.780 3.265 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(F)cc2)C1 ZINC001046911607 1347150438 /nfs/dbraw/zinc/15/04/38/1347150438.db2.gz FHXNSYGSAHPZQG-CYBMUJFWSA-N 1 2 346.780 3.265 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001046960566 1347166709 /nfs/dbraw/zinc/16/67/09/1347166709.db2.gz MQGJWODGUFAJAH-VNHYZAJKSA-N 1 2 332.822 3.003 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001046960566 1347166712 /nfs/dbraw/zinc/16/67/12/1347166712.db2.gz MQGJWODGUFAJAH-VNHYZAJKSA-N 1 2 332.822 3.003 20 30 EGEDLO CC(C)(F)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001049284230 1347769993 /nfs/dbraw/zinc/76/99/93/1347769993.db2.gz IXTFKBJTCWFSOT-DLBZAZTESA-N 1 2 347.409 3.011 20 30 EGEDLO CC(C)(F)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001049284230 1347769994 /nfs/dbraw/zinc/76/99/94/1347769994.db2.gz IXTFKBJTCWFSOT-DLBZAZTESA-N 1 2 347.409 3.011 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1 ZINC001049297433 1347778262 /nfs/dbraw/zinc/77/82/62/1347778262.db2.gz KGQGJZVEOBQAFV-HOTGVXAUSA-N 1 2 349.272 3.274 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1 ZINC001049297433 1347778265 /nfs/dbraw/zinc/77/82/65/1347778265.db2.gz KGQGJZVEOBQAFV-HOTGVXAUSA-N 1 2 349.272 3.274 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc2ncccc2o1 ZINC001049602373 1347931757 /nfs/dbraw/zinc/93/17/57/1347931757.db2.gz MVOIZOTYIWJAPM-GJZGRUSLSA-N 1 2 345.830 3.259 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc2ncccc2o1 ZINC001049602373 1347931759 /nfs/dbraw/zinc/93/17/59/1347931759.db2.gz MVOIZOTYIWJAPM-GJZGRUSLSA-N 1 2 345.830 3.259 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cscn2)CC1 ZINC001049691684 1347974178 /nfs/dbraw/zinc/97/41/78/1347974178.db2.gz YUSIMAJPHBJWHF-MSOLQXFVSA-N 1 2 345.512 3.455 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3Cc2cscn2)CC1 ZINC001049691684 1347974179 /nfs/dbraw/zinc/97/41/79/1347974179.db2.gz YUSIMAJPHBJWHF-MSOLQXFVSA-N 1 2 345.512 3.455 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ncoc1C(C)C ZINC001049833553 1348046587 /nfs/dbraw/zinc/04/65/87/1348046587.db2.gz DLQYWLFPUCQAHA-KBPBESRZSA-N 1 2 337.851 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ncoc1C(C)C ZINC001049833553 1348046589 /nfs/dbraw/zinc/04/65/89/1348046589.db2.gz DLQYWLFPUCQAHA-KBPBESRZSA-N 1 2 337.851 3.229 20 30 EGEDLO Cc1cc(N[C@H]2CCCCCN(C(=O)[C@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001049858032 1348064970 /nfs/dbraw/zinc/06/49/70/1348064970.db2.gz MSRCVNFEBLNMSS-CJNGLKHVSA-N 1 2 341.459 3.005 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)[C@H]3[C@@H]4CCC[C@@H]43)cccc2C1 ZINC001051284557 1348417760 /nfs/dbraw/zinc/41/77/60/1348417760.db2.gz WFXDDEXSQAXVAE-BWTSREIZSA-N 1 2 344.886 3.460 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)[C@H]3[C@@H]4CCC[C@@H]43)cccc2C1 ZINC001051284557 1348417763 /nfs/dbraw/zinc/41/77/63/1348417763.db2.gz WFXDDEXSQAXVAE-BWTSREIZSA-N 1 2 344.886 3.460 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCOC2(C[NH+]([C@H](C)c3ccccc3C)C2)C1 ZINC001053374038 1349014057 /nfs/dbraw/zinc/01/40/57/1349014057.db2.gz UKNSTOBRQLFNPO-QGZVFWFLSA-N 1 2 342.483 3.181 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCOC2(C[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC001053412633 1349023753 /nfs/dbraw/zinc/02/37/53/1349023753.db2.gz ZBUSOYZILLGRQU-FXAWDEMLSA-N 1 2 342.483 3.263 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc3cscc3s1)O2 ZINC001053629434 1349081031 /nfs/dbraw/zinc/08/10/31/1349081031.db2.gz PSJYFYFBBXXJNY-CYBMUJFWSA-N 1 2 348.493 3.112 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C)cc(Cl)c1)O2 ZINC001053629457 1349081592 /nfs/dbraw/zinc/08/15/92/1349081592.db2.gz QFJSSDIJEVAVMB-QGZVFWFLSA-N 1 2 348.874 3.188 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccc(C(C)(C)C)c1)O2 ZINC001053678423 1349091364 /nfs/dbraw/zinc/09/13/64/1349091364.db2.gz YYDJJVFORNSYLD-GOSISDBHSA-N 1 2 342.483 3.133 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C(C)C)oc1C)O2 ZINC001053682777 1349091636 /nfs/dbraw/zinc/09/16/36/1349091636.db2.gz LKCQFQJRLURLFE-INIZCTEOSA-N 1 2 346.471 3.251 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C(C)(C)C)oc1C)CO2 ZINC001053940029 1349125117 /nfs/dbraw/zinc/12/51/17/1349125117.db2.gz UNCWGPUJCHOJNO-HNNXBMFYSA-N 1 2 346.471 3.035 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)CO2 ZINC001053990884 1349128712 /nfs/dbraw/zinc/12/87/12/1349128712.db2.gz KMIVPDWUCLIBGQ-GOSISDBHSA-N 1 2 342.483 3.133 20 30 EGEDLO C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccoc1Cl ZINC001054039175 1349134879 /nfs/dbraw/zinc/13/48/79/1349134879.db2.gz VGFMLWYQTFBCRY-OAHLLOKOSA-N 1 2 330.815 3.276 20 30 EGEDLO C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccoc1Cl ZINC001054039175 1349134880 /nfs/dbraw/zinc/13/48/80/1349134880.db2.gz VGFMLWYQTFBCRY-OAHLLOKOSA-N 1 2 330.815 3.276 20 30 EGEDLO C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1nc(Cl)cs1 ZINC001054050189 1349139217 /nfs/dbraw/zinc/13/92/17/1349139217.db2.gz UXNWLJBODIBRGX-AWEZNQCLSA-N 1 2 347.871 3.139 20 30 EGEDLO C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1nc(Cl)cs1 ZINC001054050189 1349139220 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CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)C1=CCCCCC1 ZINC001085564430 1358596489 /nfs/dbraw/zinc/59/64/89/1358596489.db2.gz MOJYGZYXBAHEJT-FQEVSTJZSA-N 1 2 337.467 3.481 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F)C(=O)[C@H]1CCC1(C)C ZINC001085775421 1358747882 /nfs/dbraw/zinc/74/78/82/1358747882.db2.gz VPKQLDKXJFZAKR-IAGOWNOFSA-N 1 2 343.446 3.166 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1F)C(=O)[C@H]1CCC1(C)C ZINC001085775421 1358747884 /nfs/dbraw/zinc/74/78/84/1358747884.db2.gz VPKQLDKXJFZAKR-IAGOWNOFSA-N 1 2 343.446 3.166 20 30 EGEDLO C[C@H]1C[C@@H](CF)N(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)C1 ZINC001183828087 1387354947 /nfs/dbraw/zinc/35/49/47/1387354947.db2.gz CSLOZPLOMJLWRN-SNRMKQJTSA-N 1 2 343.446 3.119 20 30 EGEDLO C[C@H]1C[C@@H](CF)N(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)C1 ZINC001183828087 1387354952 /nfs/dbraw/zinc/35/49/52/1387354952.db2.gz CSLOZPLOMJLWRN-SNRMKQJTSA-N 1 2 343.446 3.119 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@H]1CCC(C)(C)C1 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OVEOAQRVWXVJNW-CQSZACIVSA-N 1 2 345.493 3.336 20 30 EGEDLO Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccccc2C#N)cc1 ZINC001085941095 1358899171 /nfs/dbraw/zinc/89/91/71/1358899171.db2.gz YIIVNBHNLOHMKH-HXUWFJFHSA-N 1 2 333.435 3.213 20 30 EGEDLO Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccccc2C#N)cc1 ZINC001085941095 1358899174 /nfs/dbraw/zinc/89/91/74/1358899174.db2.gz YIIVNBHNLOHMKH-HXUWFJFHSA-N 1 2 333.435 3.213 20 30 EGEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1ncc(Br)s1 ZINC001323544197 1387384884 /nfs/dbraw/zinc/38/48/84/1387384884.db2.gz FVQVHQKGFRCDNR-AATRIKPKSA-N 1 2 338.230 3.263 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001087434934 1359463538 /nfs/dbraw/zinc/46/35/38/1359463538.db2.gz NDNJADNUWWEVLJ-HNONPPJISA-N 1 2 332.875 3.369 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001087434934 1359463541 /nfs/dbraw/zinc/46/35/41/1359463541.db2.gz NDNJADNUWWEVLJ-HNONPPJISA-N 1 2 332.875 3.369 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)[C@H]1CC ZINC001087567338 1359534632 /nfs/dbraw/zinc/53/46/32/1359534632.db2.gz JSYWDGLCKOLESJ-LSDHHAIUSA-N 1 2 341.293 3.365 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)[C@H]1CC ZINC001087567338 1359534636 /nfs/dbraw/zinc/53/46/36/1359534636.db2.gz JSYWDGLCKOLESJ-LSDHHAIUSA-N 1 2 341.293 3.365 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nc(C)sc2C)[C@H]1CC ZINC001087620579 1359557514 /nfs/dbraw/zinc/55/75/14/1359557514.db2.gz LMLNZMMSHFWQOY-QWHCGFSZSA-N 1 2 327.881 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nc(C)sc2C)[C@H]1CC ZINC001087620579 1359557515 /nfs/dbraw/zinc/55/75/15/1359557515.db2.gz LMLNZMMSHFWQOY-QWHCGFSZSA-N 1 2 327.881 3.095 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ncc(CC)o3)[C@@H]2CC)CC1 ZINC001087713923 1359605624 /nfs/dbraw/zinc/60/56/24/1359605624.db2.gz UGPGAFOESLGPDT-ZWKOTPCHSA-N 1 2 345.487 3.453 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(CC)o3)[C@@H]2CC)CC1 ZINC001087713923 1359605628 /nfs/dbraw/zinc/60/56/28/1359605628.db2.gz UGPGAFOESLGPDT-ZWKOTPCHSA-N 1 2 345.487 3.453 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cccc(C)c2)[C@H]1C ZINC001088454591 1359918371 /nfs/dbraw/zinc/91/83/71/1359918371.db2.gz WVECKDHMWAEKAF-HIFRSBDPSA-N 1 2 337.261 3.096 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C)c2)[C@H]1C ZINC001088454591 1359918374 /nfs/dbraw/zinc/91/83/74/1359918374.db2.gz WVECKDHMWAEKAF-HIFRSBDPSA-N 1 2 337.261 3.096 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cc(F)c(C)cc2F)[C@H]1C ZINC001088767447 1360036474 /nfs/dbraw/zinc/03/64/74/1360036474.db2.gz TXMPFWXXVUZYAF-WBMJQRKESA-N 1 2 342.817 3.147 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cc(F)c(C)cc2F)[C@H]1C ZINC001088767447 1360036479 /nfs/dbraw/zinc/03/64/79/1360036479.db2.gz TXMPFWXXVUZYAF-WBMJQRKESA-N 1 2 342.817 3.147 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccccc2)[C@H]1C ZINC001088913897 1360102067 /nfs/dbraw/zinc/10/20/67/1360102067.db2.gz VZGCXAOKBZKPBA-BGTYHANMSA-N 1 2 348.874 3.096 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccccc2)[C@H]1C ZINC001088913897 1360102069 /nfs/dbraw/zinc/10/20/69/1360102069.db2.gz VZGCXAOKBZKPBA-BGTYHANMSA-N 1 2 348.874 3.096 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2csc(C(C)C)n2)[C@H]1C ZINC001088924224 1360104823 /nfs/dbraw/zinc/10/48/23/1360104823.db2.gz LIIUWBQJKBJDRQ-NEPJUHHUSA-N 1 2 327.881 3.212 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2csc(C(C)C)n2)[C@H]1C ZINC001088924224 1360104826 /nfs/dbraw/zinc/10/48/26/1360104826.db2.gz LIIUWBQJKBJDRQ-NEPJUHHUSA-N 1 2 327.881 3.212 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3ccccc3n2)[C@H]1C ZINC001088998414 1360130716 /nfs/dbraw/zinc/13/07/16/1360130716.db2.gz SUMDKEAGRBYEDU-HIFRSBDPSA-N 1 2 329.831 3.180 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3ccccc3n2)[C@H]1C ZINC001088998414 1360130720 /nfs/dbraw/zinc/13/07/20/1360130720.db2.gz SUMDKEAGRBYEDU-HIFRSBDPSA-N 1 2 329.831 3.180 20 30 EGEDLO CC[C@H](F)C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC001089209188 1360255011 /nfs/dbraw/zinc/25/50/11/1360255011.db2.gz IUPSMEPFNRDAEM-ROUUACIJSA-N 1 2 349.425 3.258 20 30 EGEDLO CC[C@H](F)C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001089209188 1360255014 /nfs/dbraw/zinc/25/50/14/1360255014.db2.gz IUPSMEPFNRDAEM-ROUUACIJSA-N 1 2 349.425 3.258 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cscn1 ZINC001089613631 1360535464 /nfs/dbraw/zinc/53/54/64/1360535464.db2.gz ZPDFNDGZYJCRFY-GFCCVEGCSA-N 1 2 327.881 3.116 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cscn1 ZINC001089613631 1360535466 /nfs/dbraw/zinc/53/54/66/1360535466.db2.gz ZPDFNDGZYJCRFY-GFCCVEGCSA-N 1 2 327.881 3.116 20 30 EGEDLO C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCc2cn[nH]c21 ZINC001089641630 1360554364 /nfs/dbraw/zinc/55/43/64/1360554364.db2.gz PIXWROWMMNOUET-SJORKVTESA-N 1 2 344.503 3.013 20 30 EGEDLO C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCc2cn[nH]c21 ZINC001089641630 1360554367 /nfs/dbraw/zinc/55/43/67/1360554367.db2.gz PIXWROWMMNOUET-SJORKVTESA-N 1 2 344.503 3.013 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC(=C)Cl)nc1 ZINC001089722903 1360626115 /nfs/dbraw/zinc/62/61/15/1360626115.db2.gz FVQKSSKLKHCDPN-MRXNPFEDSA-N 1 2 345.874 3.036 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC(=C)Cl)nc1 ZINC001089722903 1360626118 /nfs/dbraw/zinc/62/61/18/1360626118.db2.gz FVQKSSKLKHCDPN-MRXNPFEDSA-N 1 2 345.874 3.036 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC(=C)Cl)cn1 ZINC001089723816 1360627331 /nfs/dbraw/zinc/62/73/31/1360627331.db2.gz OVFIESZWTUGHQM-QGZVFWFLSA-N 1 2 345.874 3.036 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC(=C)Cl)cn1 ZINC001089723816 1360627335 /nfs/dbraw/zinc/62/73/35/1360627335.db2.gz OVFIESZWTUGHQM-QGZVFWFLSA-N 1 2 345.874 3.036 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001089794198 1360667011 /nfs/dbraw/zinc/66/70/11/1360667011.db2.gz CORANNZWZPCCKQ-DLBZAZTESA-N 1 2 330.476 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ZINC001090781039 1360936364 /nfs/dbraw/zinc/93/63/64/1360936364.db2.gz UGVAWTASXYZIOH-CZUORRHYSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001090780503 1360936682 /nfs/dbraw/zinc/93/66/82/1360936682.db2.gz IYVKSYMCANQMSR-GDBMZVCRSA-N 1 2 344.503 3.452 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@H](C)[C@@H]1CCNc1cc[nH+]c(C)n1 ZINC001091658236 1361173162 /nfs/dbraw/zinc/17/31/62/1361173162.db2.gz MONGNKFYUASEMC-WMZOPIPTSA-N 1 2 342.487 3.408 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)CC(C)(C)C1 ZINC001092087497 1361297736 /nfs/dbraw/zinc/29/77/36/1361297736.db2.gz DAXUCTHEABHFLN-INIZCTEOSA-N 1 2 344.503 3.499 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)CC(C)(C)C1 ZINC001092087500 1361297931 /nfs/dbraw/zinc/29/79/31/1361297931.db2.gz DAXUCTHEABHFLN-MRXNPFEDSA-N 1 2 344.503 3.499 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001093044754 1361515087 /nfs/dbraw/zinc/51/50/87/1361515087.db2.gz KUIPIFJPDBISNB-PDOICOKGSA-N 1 2 342.487 3.176 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001093044600 1361515163 /nfs/dbraw/zinc/51/51/63/1361515163.db2.gz HPVHQPBEYXXPQC-PDOICOKGSA-N 1 2 342.487 3.230 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC1CC2(C1)CC(Nc1cc[nH+]c(C)n1)C2 ZINC001093438536 1361623495 /nfs/dbraw/zinc/62/34/95/1361623495.db2.gz RGVJYCIRNGRYED-XYLATYTLSA-N 1 2 328.460 3.227 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3[C@H](C=C(C)C)C3(C)C)CC2)C1 ZINC001093554036 1361640796 /nfs/dbraw/zinc/64/07/96/1361640796.db2.gz MQRBCIXDQJLHDU-RBUKOAKNSA-N 1 2 346.515 3.103 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cc(C)cc(Cl)c3)CC2)C1 ZINC001093552325 1361640934 /nfs/dbraw/zinc/64/09/34/1361640934.db2.gz ONJVOXZPBIHLEE-UHFFFAOYSA-N 1 2 348.874 3.140 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C34CC(C(C)(C)C)(C3)C4)CC2)C1 ZINC001093600470 1361655124 /nfs/dbraw/zinc/65/51/24/1361655124.db2.gz WZYFMODUKLDGFB-UHFFFAOYSA-N 1 2 346.515 3.081 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H](Nc3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001095040452 1361994797 /nfs/dbraw/zinc/99/47/97/1361994797.db2.gz QLTQSSLKAJFMCI-MRXNPFEDSA-N 1 2 328.460 3.324 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095137907 1362028829 /nfs/dbraw/zinc/02/88/29/1362028829.db2.gz XTFPJIGSFMFTPT-MRXNPFEDSA-N 1 2 328.460 3.056 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095201728 1362051258 /nfs/dbraw/zinc/05/12/58/1362051258.db2.gz UJQLKTAYMBAZKW-CQSZACIVSA-N 1 2 330.476 3.043 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095440297 1362141450 /nfs/dbraw/zinc/14/14/50/1362141450.db2.gz CYIHTAHNTZKTKV-UHFFFAOYSA-N 1 2 330.476 3.089 20 30 EGEDLO CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2cccc(Cl)c2)CC1 ZINC001095452250 1362146155 /nfs/dbraw/zinc/14/61/55/1362146155.db2.gz RBZKUHUWOGBAID-SQNIBIBYSA-N 1 2 342.870 3.213 20 30 EGEDLO CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2cccc(Cl)c2)CC1 ZINC001095452250 1362146156 /nfs/dbraw/zinc/14/61/56/1362146156.db2.gz RBZKUHUWOGBAID-SQNIBIBYSA-N 1 2 342.870 3.213 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H]([NH2+]Cc2ncc(C(C)C)o2)C1 ZINC001184900412 1387558429 /nfs/dbraw/zinc/55/84/29/1387558429.db2.gz UORYELOYSIMSKD-MRXNPFEDSA-N 1 2 331.460 3.072 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001095693712 1362202844 /nfs/dbraw/zinc/20/28/44/1362202844.db2.gz MYGVFHAUMYDNEN-UHFFFAOYSA-N 1 2 344.503 3.209 20 30 EGEDLO C#CCCCCC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001095797768 1362232456 /nfs/dbraw/zinc/23/24/56/1362232456.db2.gz KMNLDGNVFBKGAI-NVXWUHKLSA-N 1 2 328.460 3.160 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC=C(Cl)Cl)cc1 ZINC001095854260 1362256788 /nfs/dbraw/zinc/25/67/88/1362256788.db2.gz SUMPRMLGTIFEOC-PMPSAXMXSA-N 1 2 349.261 3.322 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC=C(Cl)Cl)cc1 ZINC001095854260 1362256792 /nfs/dbraw/zinc/25/67/92/1362256792.db2.gz SUMPRMLGTIFEOC-PMPSAXMXSA-N 1 2 349.261 3.322 20 30 EGEDLO C#CCCCCC(=O)NCCCN(CC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001095858442 1362258001 /nfs/dbraw/zinc/25/80/01/1362258001.db2.gz UPLIXQMXXBXBCY-UHFFFAOYSA-N 1 2 344.503 3.435 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCCN(CC)c1nc(C)[nH+]c(C)c1C ZINC001095946333 1362299092 /nfs/dbraw/zinc/29/90/92/1362299092.db2.gz AMGGTBMICZKGJM-AWEZNQCLSA-N 1 2 332.492 3.337 20 30 EGEDLO C=CCCC1(C(=O)NCCCN(CC)c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095957489 1362306654 /nfs/dbraw/zinc/30/66/54/1362306654.db2.gz UZWDXZQZEVKWNN-UHFFFAOYSA-N 1 2 344.503 3.481 20 30 EGEDLO C=CCCCC(=O)NCCCN(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001095964725 1362312937 /nfs/dbraw/zinc/31/29/37/1362312937.db2.gz ZMQYPSMXVXDHIN-UHFFFAOYSA-N 1 2 330.476 3.351 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCCN(c1nc(C)[nH+]c(C)c1C)C1CC1 ZINC001096072246 1362368002 /nfs/dbraw/zinc/36/80/02/1362368002.db2.gz INRCCTVLCJDFHM-KRWDZBQOSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCCN(c1nc(C)[nH+]c(C)c1C)C1CC1 ZINC001096077804 1362372575 /nfs/dbraw/zinc/37/25/75/1362372575.db2.gz BYCBBHYOZNKHDK-FQEVSTJZSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCOc3ccccc31)C2 ZINC001096175261 1362415316 /nfs/dbraw/zinc/41/53/16/1362415316.db2.gz FRPFEJPWDLJSSF-IWCQGFGOSA-N 1 2 346.858 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCOc3ccccc31)C2 ZINC001096175261 1362415319 /nfs/dbraw/zinc/41/53/19/1362415319.db2.gz FRPFEJPWDLJSSF-IWCQGFGOSA-N 1 2 346.858 3.027 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1OCc3ccccc31)C2 ZINC001096449657 1362515762 /nfs/dbraw/zinc/51/57/62/1362515762.db2.gz UDGGQDUUHJVVQJ-LAVFITLUSA-N 1 2 346.858 3.122 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1OCc3ccccc31)C2 ZINC001096449657 1362515764 /nfs/dbraw/zinc/51/57/64/1362515764.db2.gz UDGGQDUUHJVVQJ-LAVFITLUSA-N 1 2 346.858 3.122 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(Cl)cc1)C2 ZINC001096467092 1362521715 /nfs/dbraw/zinc/52/17/15/1362521715.db2.gz KULSJPXPFKLNFZ-PMPSAXMXSA-N 1 2 339.266 3.357 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(Cl)cc1)C2 ZINC001096467092 1362521718 /nfs/dbraw/zinc/52/17/18/1362521718.db2.gz KULSJPXPFKLNFZ-PMPSAXMXSA-N 1 2 339.266 3.357 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096466732 1362521911 /nfs/dbraw/zinc/52/19/11/1362521911.db2.gz TUIQIVHGRNQRDR-HZPDHXFCSA-N 1 2 330.476 3.206 20 30 EGEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C(F)(F)F)s1)C2 ZINC001096645230 1362614325 /nfs/dbraw/zinc/61/43/25/1362614325.db2.gz LKEYGSLWVIOKOY-WOPDTQHZSA-N 1 2 342.386 3.125 20 30 EGEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C(F)(F)F)s1)C2 ZINC001096645230 1362614327 /nfs/dbraw/zinc/61/43/27/1362614327.db2.gz LKEYGSLWVIOKOY-WOPDTQHZSA-N 1 2 342.386 3.125 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H](Nc1nc(C)[nH+]c2c1CCCC2)C1CC1 ZINC001096738832 1362680526 /nfs/dbraw/zinc/68/05/26/1362680526.db2.gz APUGQVMEIJZRIF-GOSISDBHSA-N 1 2 342.487 3.327 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097088599 1362837751 /nfs/dbraw/zinc/83/77/51/1362837751.db2.gz NFHTUCNNDJCKMX-BPUTZDHNSA-N 1 2 328.460 3.324 20 30 EGEDLO C=C(C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nc(C)[nH+]c(C)c1C ZINC001097128733 1362855146 /nfs/dbraw/zinc/85/51/46/1362855146.db2.gz VQIWNFCFJLZNGJ-AYHJJNSGSA-N 1 2 342.487 3.374 20 30 EGEDLO CC(C)c1cc(N[C@H]2C[C@@H](NC(=O)C#CC3CC3)C2)nc(C(C)C)[nH+]1 ZINC001097181626 1362876730 /nfs/dbraw/zinc/87/67/30/1362876730.db2.gz OUKZFACTHJVAMW-IYBDPMFKSA-N 1 2 340.471 3.196 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC13CC3)C2 ZINC001097327994 1362935519 /nfs/dbraw/zinc/93/55/19/1362935519.db2.gz XFPUCVBJCDGONY-WTGUMLROSA-N 1 2 349.478 3.360 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC13CC3)C2 ZINC001097327994 1362935524 /nfs/dbraw/zinc/93/55/24/1362935524.db2.gz XFPUCVBJCDGONY-WTGUMLROSA-N 1 2 349.478 3.360 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCCCN1c1nc(C)[nH+]c(C)c1C ZINC001097451509 1362997949 /nfs/dbraw/zinc/99/79/49/1362997949.db2.gz ISYDRFGRWKJRHM-ROUUACIJSA-N 1 2 344.503 3.479 20 30 EGEDLO C=CCCC(=O)N[C@H](C)[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097525323 1363039561 /nfs/dbraw/zinc/03/95/61/1363039561.db2.gz SGWNDXJWZCYDBA-WBVHZDCISA-N 1 2 342.487 3.350 20 30 EGEDLO Cc1coc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)c1 ZINC001097681125 1363098780 /nfs/dbraw/zinc/09/87/80/1363098780.db2.gz WTSDTYKUQOCWGE-WQVCFCJDSA-N 1 2 341.436 3.057 20 30 EGEDLO Cc1coc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)c1 ZINC001097681125 1363098782 /nfs/dbraw/zinc/09/87/82/1363098782.db2.gz WTSDTYKUQOCWGE-WQVCFCJDSA-N 1 2 341.436 3.057 20 30 EGEDLO CCc1ccoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001097793391 1363122506 /nfs/dbraw/zinc/12/25/06/1363122506.db2.gz UKGNRIRPSPJPTE-QRVBRYPASA-N 1 2 349.434 3.249 20 30 EGEDLO CCc1ccoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001097793391 1363122507 /nfs/dbraw/zinc/12/25/07/1363122507.db2.gz UKGNRIRPSPJPTE-QRVBRYPASA-N 1 2 349.434 3.249 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H](C)Nc2cc(C)[nH+]c(C(C)C)n2)cc1 ZINC001098207863 1363256157 /nfs/dbraw/zinc/25/61/57/1363256157.db2.gz VVSSNMGLFDEVBY-OAHLLOKOSA-N 1 2 336.439 3.120 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1OCC)C2 ZINC001098311326 1363294766 /nfs/dbraw/zinc/29/47/66/1363294766.db2.gz FLCNXWMQRHLLOD-BMFZPTHFSA-N 1 2 334.847 3.173 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1OCC)C2 ZINC001098311326 1363294767 /nfs/dbraw/zinc/29/47/67/1363294767.db2.gz FLCNXWMQRHLLOD-BMFZPTHFSA-N 1 2 334.847 3.173 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CCC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001098650778 1363417124 /nfs/dbraw/zinc/41/71/24/1363417124.db2.gz AWYOCZFPSCLBAJ-IRXDYDNUSA-N 1 2 328.460 3.208 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001098705342 1363441738 /nfs/dbraw/zinc/44/17/38/1363441738.db2.gz WZKSCCYVWXSSEM-KRWDZBQOSA-N 1 2 330.476 3.185 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[C@@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001098720082 1363448793 /nfs/dbraw/zinc/44/87/93/1363448793.db2.gz UNWMGDYXOIHHMW-QZTJIDSGSA-N 1 2 344.503 3.431 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1cccc(F)c1F ZINC001098984650 1363555942 /nfs/dbraw/zinc/55/59/42/1363555942.db2.gz YSWPPOHNBQZZPP-DZGCQCFKSA-N 1 2 349.425 3.231 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1cccc(F)c1F ZINC001098984650 1363555947 /nfs/dbraw/zinc/55/59/47/1363555947.db2.gz YSWPPOHNBQZZPP-DZGCQCFKSA-N 1 2 349.425 3.231 20 30 EGEDLO C#CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ncc(CC)o1 ZINC001099049465 1363594468 /nfs/dbraw/zinc/59/44/68/1363594468.db2.gz UHNIYFXDOGLBMT-MRXNPFEDSA-N 1 2 345.487 3.147 20 30 EGEDLO C#CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ncc(CC)o1 ZINC001099049465 1363594472 /nfs/dbraw/zinc/59/44/72/1363594472.db2.gz UHNIYFXDOGLBMT-MRXNPFEDSA-N 1 2 345.487 3.147 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(COCC)CC1 ZINC001099131269 1363644011 /nfs/dbraw/zinc/64/40/11/1363644011.db2.gz ZCPOVBWGJLDHJL-OAHLLOKOSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(COCC)CC1 ZINC001099131269 1363644015 /nfs/dbraw/zinc/64/40/15/1363644015.db2.gz ZCPOVBWGJLDHJL-OAHLLOKOSA-N 1 2 342.911 3.162 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ncc(C)cn1 ZINC001099170561 1363668489 /nfs/dbraw/zinc/66/84/89/1363668489.db2.gz IESAQMYOHKWMCM-MRXNPFEDSA-N 1 2 344.503 3.104 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ncc(C)cn1 ZINC001099170561 1363668494 /nfs/dbraw/zinc/66/84/94/1363668494.db2.gz IESAQMYOHKWMCM-MRXNPFEDSA-N 1 2 344.503 3.104 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCCCCCC)[C@H](O)C1 ZINC001100084871 1364012399 /nfs/dbraw/zinc/01/23/99/1364012399.db2.gz CCRVXUPELMYNQI-HZPDHXFCSA-N 1 2 330.900 3.041 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCCCCCC)[C@H](O)C1 ZINC001100084871 1364012403 /nfs/dbraw/zinc/01/24/03/1364012403.db2.gz CCRVXUPELMYNQI-HZPDHXFCSA-N 1 2 330.900 3.041 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCN(CC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001100691311 1364220483 /nfs/dbraw/zinc/22/04/83/1364220483.db2.gz NORQMAOFFOAZKS-GOEBONIOSA-N 1 2 332.492 3.309 20 30 EGEDLO C=CCCC1(C(=O)NCCN(CC)c2nc(C)[nH+]c(C)c2C)CC1 ZINC001100718187 1364233539 /nfs/dbraw/zinc/23/35/39/1364233539.db2.gz DXQKEHJXTZUCHG-UHFFFAOYSA-N 1 2 330.476 3.091 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H]1CCCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC001100830586 1364282314 /nfs/dbraw/zinc/28/23/14/1364282314.db2.gz ODWILXAIXAYFCY-KRWDZBQOSA-N 1 2 342.487 3.187 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC001100872396 1364305230 /nfs/dbraw/zinc/30/52/30/1364305230.db2.gz WCSMJDQPBFWBKV-INIZCTEOSA-N 1 2 330.476 3.350 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCN(c1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001101393323 1364543154 /nfs/dbraw/zinc/54/31/54/1364543154.db2.gz GPHIBJQLMAORAR-UHFFFAOYSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H](C)CCCCC)c1nccn12 ZINC001101646758 1364669244 /nfs/dbraw/zinc/66/92/44/1364669244.db2.gz WKMZTRMSHBVHHM-DLBZAZTESA-N 1 2 344.503 3.248 20 30 EGEDLO C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)C(F)C(F)(F)F)[C@H](C)C1 ZINC001101987933 1364800248 /nfs/dbraw/zinc/80/02/48/1364800248.db2.gz MCPHBDKBAICWLO-MGPQQGTHSA-N 1 2 338.389 3.317 20 30 EGEDLO C=CCCCCC[N@H+]1C[C@@H](CNC(=O)C(F)C(F)(F)F)[C@H](C)C1 ZINC001101987933 1364800253 /nfs/dbraw/zinc/80/02/53/1364800253.db2.gz MCPHBDKBAICWLO-MGPQQGTHSA-N 1 2 338.389 3.317 20 30 EGEDLO C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)[C@H](C)C1 ZINC001101987933 1364800257 /nfs/dbraw/zinc/80/02/57/1364800257.db2.gz MCPHBDKBAICWLO-MGPQQGTHSA-N 1 2 338.389 3.317 20 30 EGEDLO C=CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)[C@H](C)C1 ZINC001101987933 1364800261 /nfs/dbraw/zinc/80/02/61/1364800261.db2.gz MCPHBDKBAICWLO-MGPQQGTHSA-N 1 2 338.389 3.317 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H](Nc2cc[nH+]c(C)n2)c2ccccc2)C1 ZINC001102179820 1364919238 /nfs/dbraw/zinc/91/92/38/1364919238.db2.gz ORXVHKYHOUSGNO-KRWDZBQOSA-N 1 2 336.439 3.411 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102752735 1365201932 /nfs/dbraw/zinc/20/19/32/1365201932.db2.gz MVTHTGPWYOXLCK-YOEHRIQHSA-N 1 2 342.487 3.302 20 30 EGEDLO C=CC(C)(C)C(=O)N(C)[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001102753506 1365202561 /nfs/dbraw/zinc/20/25/61/1365202561.db2.gz ZMLZEOCHGYSXMU-HNNXBMFYSA-N 1 2 330.476 3.158 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CCCCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001102884731 1365273562 /nfs/dbraw/zinc/27/35/62/1365273562.db2.gz YREKJFMCXLEUDI-INIZCTEOSA-N 1 2 328.460 3.007 20 30 EGEDLO C=CCOCCCC(=O)NC[C@H](CC)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001103033138 1365348304 /nfs/dbraw/zinc/34/83/04/1365348304.db2.gz YMDAYLKETSCSSX-INIZCTEOSA-N 1 2 348.491 3.198 20 30 EGEDLO CC[C@@H](CNC(=O)C#CC1CC1)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001103054500 1365357084 /nfs/dbraw/zinc/35/70/84/1365357084.db2.gz AXNMVNSONJYHFK-INIZCTEOSA-N 1 2 342.487 3.444 20 30 EGEDLO C=CC(C)(C)C(=O)NCC[C@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001103768220 1365773582 /nfs/dbraw/zinc/77/35/82/1365773582.db2.gz AAQOBUCBWXZFRC-MRXNPFEDSA-N 1 2 330.476 3.089 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)NC[C@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001103884682 1365823796 /nfs/dbraw/zinc/82/37/96/1365823796.db2.gz JUHACJQWQSZJOV-ZBFHGGJFSA-N 1 2 348.491 3.054 20 30 EGEDLO CC(C)c1cc(NC[C@@H](C)CNC(=O)[C@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001103898034 1365827653 /nfs/dbraw/zinc/82/76/53/1365827653.db2.gz DXHWQWIBULTZPS-ZIAGYGMSSA-N 1 2 331.464 3.047 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N(C)[C@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001104506999 1366053219 /nfs/dbraw/zinc/05/32/19/1366053219.db2.gz DRKVWQURKBYETA-HZPDHXFCSA-N 1 2 348.491 3.148 20 30 EGEDLO C#CCCCCC(=O)N(C)[C@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001104522052 1366061203 /nfs/dbraw/zinc/06/12/03/1366061203.db2.gz VJOJGTCUYQLFGO-OAHLLOKOSA-N 1 2 328.460 3.115 20 30 EGEDLO C=C[C@@H](CC(=O)N(C)[C@H](C)CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001104589270 1366090220 /nfs/dbraw/zinc/09/02/20/1366090220.db2.gz ZHSHENBEDYIELH-WBVHZDCISA-N 1 2 338.455 3.404 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@@H](C)[C@H]1CNc1cc[nH+]c(C)n1 ZINC001105089785 1366320170 /nfs/dbraw/zinc/32/01/70/1366320170.db2.gz YTRFFJKOAYVBBE-NVXWUHKLSA-N 1 2 328.460 3.018 20 30 EGEDLO C=CCC(CC=C)C(=O)N(C)CCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001105480745 1366487802 /nfs/dbraw/zinc/48/78/02/1366487802.db2.gz VFMJCLCSWDVGQV-UHFFFAOYSA-N 1 2 342.487 3.325 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N(C)CCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001105536869 1366516858 /nfs/dbraw/zinc/51/68/58/1366516858.db2.gz DHIDENLFQNYURQ-INIZCTEOSA-N 1 2 332.492 3.405 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C3(CC(C)C)CC3)CC2)C1 ZINC001105713749 1366581632 /nfs/dbraw/zinc/58/16/32/1366581632.db2.gz SMBFKRAXOOJTPA-UHFFFAOYSA-N 1 2 334.504 3.081 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CCC[C@H](C)CCC)CC2)C1 ZINC001105709861 1366581909 /nfs/dbraw/zinc/58/19/09/1366581909.db2.gz YLSIIZHXSXEPRQ-QGZVFWFLSA-N 1 2 336.520 3.471 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H](C)CCCCCC)CC2)C1 ZINC001105728378 1366587242 /nfs/dbraw/zinc/58/72/42/1366587242.db2.gz RYGPHYQJWNONLV-KRWDZBQOSA-N 1 2 336.520 3.471 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H](C)CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001109185544 1366992333 /nfs/dbraw/zinc/99/23/33/1366992333.db2.gz ZNBTXNANTULSTQ-UKRRQHHQSA-N 1 2 330.476 3.206 20 30 EGEDLO C=CCC1(C(=O)N[C@@H](C)CN(C)c2nc(C)[nH+]c(C)c2C)CCC1 ZINC001109215985 1367007249 /nfs/dbraw/zinc/00/72/49/1367007249.db2.gz FJTFFSYJJLJKPC-ZDUSSCGKSA-N 1 2 330.476 3.089 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H](C)CN(C)c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001109232700 1367018202 /nfs/dbraw/zinc/01/82/02/1367018202.db2.gz FYJKWCCNWXIZJG-OAHLLOKOSA-N 1 2 330.476 3.206 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1Cl ZINC001109246224 1367024185 /nfs/dbraw/zinc/02/41/85/1367024185.db2.gz SOPJACQOYLYTQX-NJAFHUGGSA-N 1 2 348.849 3.360 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1Cl ZINC001109246224 1367024188 /nfs/dbraw/zinc/02/41/88/1367024188.db2.gz SOPJACQOYLYTQX-NJAFHUGGSA-N 1 2 348.849 3.360 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CCCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001109340387 1367066465 /nfs/dbraw/zinc/06/64/65/1367066465.db2.gz UZKCZVASFNGLFW-IAGOWNOFSA-N 1 2 328.460 3.066 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N(C)CCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001109386959 1367099052 /nfs/dbraw/zinc/09/90/52/1367099052.db2.gz SYKTZMKSYUVYCY-MRXNPFEDSA-N 1 2 348.491 3.150 20 30 EGEDLO CC(C)c1cc(NCCCN(C)C(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001109433759 1367118503 /nfs/dbraw/zinc/11/85/03/1367118503.db2.gz DGEXVKXQYKBRJT-UHFFFAOYSA-N 1 2 342.487 3.397 20 30 EGEDLO C=CC[C@H](Cc1ccccc1)C(=O)N[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001107779941 1367142884 /nfs/dbraw/zinc/14/28/84/1367142884.db2.gz DGRYXVFQYNGRQW-CRAIPNDOSA-N 1 2 338.455 3.137 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2c(F)cccc2F)C1 ZINC001190005358 1367150201 /nfs/dbraw/zinc/15/02/01/1367150201.db2.gz ZVDGRCOOUMFBOU-CABCVRRESA-N 1 2 334.410 3.218 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2c(F)cccc2F)C1 ZINC001190005358 1367150203 /nfs/dbraw/zinc/15/02/03/1367150203.db2.gz ZVDGRCOOUMFBOU-CABCVRRESA-N 1 2 334.410 3.218 20 30 EGEDLO C=CCCC(=O)NC[C@@]1(C)C[N@H+](Cc2cc3ccccc3o2)CCO1 ZINC001107802056 1367153578 /nfs/dbraw/zinc/15/35/78/1367153578.db2.gz HZWHCOQXCLPHAQ-FQEVSTJZSA-N 1 2 342.439 3.106 20 30 EGEDLO C=CCCC(=O)NC[C@@]1(C)C[N@@H+](Cc2cc3ccccc3o2)CCO1 ZINC001107802056 1367153581 /nfs/dbraw/zinc/15/35/81/1367153581.db2.gz HZWHCOQXCLPHAQ-FQEVSTJZSA-N 1 2 342.439 3.106 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC001190053041 1367161354 /nfs/dbraw/zinc/16/13/54/1367161354.db2.gz CSTUNNNONMBUSZ-JKSUJKDBSA-N 1 2 345.487 3.225 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC001190053041 1367161360 /nfs/dbraw/zinc/16/13/60/1367161360.db2.gz CSTUNNNONMBUSZ-JKSUJKDBSA-N 1 2 345.487 3.225 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC001107971442 1367224192 /nfs/dbraw/zinc/22/41/92/1367224192.db2.gz SAHJJBXAARIBRP-FQEVSTJZSA-N 1 2 348.462 3.135 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC001107971442 1367224198 /nfs/dbraw/zinc/22/41/98/1367224198.db2.gz SAHJJBXAARIBRP-FQEVSTJZSA-N 1 2 348.462 3.135 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1F ZINC001109601991 1367225253 /nfs/dbraw/zinc/22/52/53/1367225253.db2.gz XFUHSIHJCWGMEM-PVAVHDDUSA-N 1 2 334.410 3.399 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1F ZINC001109601991 1367225257 /nfs/dbraw/zinc/22/52/57/1367225257.db2.gz XFUHSIHJCWGMEM-PVAVHDDUSA-N 1 2 334.410 3.399 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@H+](C)CC(=C)Br)C1 ZINC001190328377 1367228807 /nfs/dbraw/zinc/22/88/07/1367228807.db2.gz HVUGQCPXDXZXMJ-OAHLLOKOSA-N 1 2 341.293 3.196 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@@H+](C)CC(=C)Br)C1 ZINC001190328377 1367228811 /nfs/dbraw/zinc/22/88/11/1367228811.db2.gz HVUGQCPXDXZXMJ-OAHLLOKOSA-N 1 2 341.293 3.196 20 30 EGEDLO CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C(F)F ZINC001109703321 1367287230 /nfs/dbraw/zinc/28/72/30/1367287230.db2.gz JFHWGUFCUZLGCM-PMPSAXMXSA-N 1 2 347.409 3.071 20 30 EGEDLO CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C(F)F ZINC001109703321 1367287233 /nfs/dbraw/zinc/28/72/33/1367287233.db2.gz JFHWGUFCUZLGCM-PMPSAXMXSA-N 1 2 347.409 3.071 20 30 EGEDLO CC#CCCCC(=O)N[C@H](CNc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001109958883 1367427022 /nfs/dbraw/zinc/42/70/22/1367427022.db2.gz SGHMHYDTBVIKKK-QGZVFWFLSA-N 1 2 342.487 3.409 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001108425101 1367448178 /nfs/dbraw/zinc/44/81/78/1367448178.db2.gz XZDAWURXXMCDDU-UZLBHIALSA-N 1 2 330.472 3.207 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001108425101 1367448180 /nfs/dbraw/zinc/44/81/80/1367448180.db2.gz XZDAWURXXMCDDU-UZLBHIALSA-N 1 2 330.472 3.207 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@](C)(CC)CCCCC)C1 ZINC001108426506 1367450994 /nfs/dbraw/zinc/45/09/94/1367450994.db2.gz NKNRKOINIOWILN-VQTJNVASSA-N 1 2 336.520 3.213 20 30 EGEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@](C)(CC)CCCCC)C1 ZINC001108426506 1367450999 /nfs/dbraw/zinc/45/09/99/1367450999.db2.gz NKNRKOINIOWILN-VQTJNVASSA-N 1 2 336.520 3.213 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2nc(C)cs2)C1 ZINC001191753485 1367577245 /nfs/dbraw/zinc/57/72/45/1367577245.db2.gz FJHDLSOUGBCVNG-MRXNPFEDSA-N 1 2 333.501 3.068 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(C)cs2)C1 ZINC001191753485 1367577248 /nfs/dbraw/zinc/57/72/48/1367577248.db2.gz FJHDLSOUGBCVNG-MRXNPFEDSA-N 1 2 333.501 3.068 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2ncc(C)o2)C1 ZINC001191754094 1367577387 /nfs/dbraw/zinc/57/73/87/1367577387.db2.gz KXYLNPBOMTYTFW-IRXDYDNUSA-N 1 2 331.460 3.160 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2ncc(C)o2)C1 ZINC001191754094 1367577392 /nfs/dbraw/zinc/57/73/92/1367577392.db2.gz KXYLNPBOMTYTFW-IRXDYDNUSA-N 1 2 331.460 3.160 20 30 EGEDLO CC(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110275746 1367604659 /nfs/dbraw/zinc/60/46/59/1367604659.db2.gz UWCFIGNOJMNHLO-QRQLOZEOSA-N 1 2 343.446 3.355 20 30 EGEDLO CC(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110275746 1367604666 /nfs/dbraw/zinc/60/46/66/1367604666.db2.gz UWCFIGNOJMNHLO-QRQLOZEOSA-N 1 2 343.446 3.355 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001191910891 1367633970 /nfs/dbraw/zinc/63/39/70/1367633970.db2.gz AHAMPIMWZSPOSN-KXBFYZLASA-N 1 2 343.446 3.332 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001191910891 1367633975 /nfs/dbraw/zinc/63/39/75/1367633975.db2.gz AHAMPIMWZSPOSN-KXBFYZLASA-N 1 2 343.446 3.332 20 30 EGEDLO N#Cc1ccc(C(=O)Nc2cccc3[nH+]ccn32)c(C(F)(F)F)c1 ZINC001192075125 1367681794 /nfs/dbraw/zinc/68/17/94/1367681794.db2.gz BINOLHYHYFSDQS-UHFFFAOYSA-N 1 2 330.269 3.477 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccn(C(C)C)n3)C2)CC1 ZINC001192217163 1367720117 /nfs/dbraw/zinc/72/01/17/1367720117.db2.gz CNVWLVZLGRKYOK-GOSISDBHSA-N 1 2 344.503 3.243 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccn(C(C)C)n3)C2)CC1 ZINC001192217163 1367720123 /nfs/dbraw/zinc/72/01/23/1367720123.db2.gz CNVWLVZLGRKYOK-GOSISDBHSA-N 1 2 344.503 3.243 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110447555 1367730646 /nfs/dbraw/zinc/73/06/46/1367730646.db2.gz IZQVACXVDRVGMT-ZACQAIPSSA-N 1 2 327.403 3.043 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110447555 1367730651 /nfs/dbraw/zinc/73/06/51/1367730651.db2.gz IZQVACXVDRVGMT-ZACQAIPSSA-N 1 2 327.403 3.043 20 30 EGEDLO CCC[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109094332 1367765568 /nfs/dbraw/zinc/76/55/68/1367765568.db2.gz XZORIMZTKVUOJV-BIGGFVEDSA-N 1 2 343.446 3.355 20 30 EGEDLO CCC[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109094332 1367765573 /nfs/dbraw/zinc/76/55/73/1367765573.db2.gz XZORIMZTKVUOJV-BIGGFVEDSA-N 1 2 343.446 3.355 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2nc(C3CC3)no2)C1 ZINC001192578347 1367823039 /nfs/dbraw/zinc/82/30/39/1367823039.db2.gz PNTUWRPKCPEQDB-HIFRSBDPSA-N 1 2 346.475 3.143 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2nc(C3CC3)no2)C1 ZINC001192578347 1367823042 /nfs/dbraw/zinc/82/30/42/1367823042.db2.gz PNTUWRPKCPEQDB-HIFRSBDPSA-N 1 2 346.475 3.143 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C(F)(F)F)CCC1)C2 ZINC001110724734 1367950963 /nfs/dbraw/zinc/95/09/63/1367950963.db2.gz CQSMONAIMSJKLD-UTUOFQBUSA-N 1 2 336.785 3.193 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C(F)(F)F)CCC1)C2 ZINC001110724734 1367950968 /nfs/dbraw/zinc/95/09/68/1367950968.db2.gz CQSMONAIMSJKLD-UTUOFQBUSA-N 1 2 336.785 3.193 20 30 EGEDLO C=C(C)CCC(=O)N[C@@]1(C)CCN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC001110794083 1367993398 /nfs/dbraw/zinc/99/33/98/1367993398.db2.gz STFVRYXXLQEBFH-FQEVSTJZSA-N 1 2 342.487 3.105 20 30 EGEDLO CC#CCCCC(=O)N[C@]1(C)CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001110805139 1368001975 /nfs/dbraw/zinc/00/19/75/1368001975.db2.gz DLCMCDMLIMXXDL-HXUWFJFHSA-N 1 2 342.487 3.187 20 30 EGEDLO C#CCCCC(=O)N1CC[C@@](C)(CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001110841995 1368022903 /nfs/dbraw/zinc/02/29/03/1368022903.db2.gz QFMHLNNXAAWBNB-FQEVSTJZSA-N 1 2 342.487 3.362 20 30 EGEDLO C=C1CCC(C(=O)NCC2(C)CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC001110895518 1368070047 /nfs/dbraw/zinc/07/00/47/1368070047.db2.gz MNOCNPDRNFVONU-UHFFFAOYSA-N 1 2 342.487 3.254 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([C@H](C)Nc3cc[nH+]c(C)n3)C2)CCC1 ZINC001111233062 1368208940 /nfs/dbraw/zinc/20/89/40/1368208940.db2.gz OSKUNOVSDAZFGH-GOEBONIOSA-N 1 2 328.460 3.180 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3nccs3)C2)CCCC1 ZINC001194554929 1368285786 /nfs/dbraw/zinc/28/57/86/1368285786.db2.gz HFAZVUUKNHRVBK-OAHLLOKOSA-N 1 2 333.501 3.312 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3nccs3)C2)CCCC1 ZINC001194554929 1368285788 /nfs/dbraw/zinc/28/57/88/1368285788.db2.gz HFAZVUUKNHRVBK-OAHLLOKOSA-N 1 2 333.501 3.312 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CC[C@H](CNc2cc[nH+]c(C)n2)CC1 ZINC001111645014 1368408035 /nfs/dbraw/zinc/40/80/35/1368408035.db2.gz SHWUAJMJFGPPMT-ULQDDVLXSA-N 1 2 330.476 3.474 20 30 EGEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cnc(Cl)s1)C2 ZINC001111648851 1368411678 /nfs/dbraw/zinc/41/16/78/1368411678.db2.gz RRNKIHUTSUXEBD-LRDDRELGSA-N 1 2 339.892 3.233 20 30 EGEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cnc(Cl)s1)C2 ZINC001111648851 1368411681 /nfs/dbraw/zinc/41/16/81/1368411681.db2.gz RRNKIHUTSUXEBD-LRDDRELGSA-N 1 2 339.892 3.233 20 30 EGEDLO C#CCCCCC(=O)N1CCC[N@@H+](Cc2cc(F)ccc2OC)CC1 ZINC001195563020 1368454229 /nfs/dbraw/zinc/45/42/29/1368454229.db2.gz RREKESXNVGUSBZ-UHFFFAOYSA-N 1 2 346.446 3.062 20 30 EGEDLO C#CCCCCC(=O)N1CCC[N@H+](Cc2cc(F)ccc2OC)CC1 ZINC001195563020 1368454230 /nfs/dbraw/zinc/45/42/30/1368454230.db2.gz RREKESXNVGUSBZ-UHFFFAOYSA-N 1 2 346.446 3.062 20 30 EGEDLO C=CC[NH+]1CCN(C(=S)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC001196174617 1368563392 /nfs/dbraw/zinc/56/33/92/1368563392.db2.gz XLBJBRGDDJKDDO-UHFFFAOYSA-N 1 2 329.391 3.206 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2nc3ccccc3o2)CC1 ZINC001196853108 1368698545 /nfs/dbraw/zinc/69/85/45/1368698545.db2.gz HCERSYKJZTZWQH-HZPDHXFCSA-N 1 2 341.455 3.320 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2nc3ccccc3o2)CC1 ZINC001196853108 1368698549 /nfs/dbraw/zinc/69/85/49/1368698549.db2.gz HCERSYKJZTZWQH-HZPDHXFCSA-N 1 2 341.455 3.320 20 30 EGEDLO C#CCCCCC(=O)N1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@@H](C)C1 ZINC001112309181 1368758853 /nfs/dbraw/zinc/75/88/53/1368758853.db2.gz VHSUPQLNCUTSBH-YOEHRIQHSA-N 1 2 340.471 3.115 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[N@@H+](Cc2nc(C)c(C)s2)CC1 ZINC001197291826 1368781026 /nfs/dbraw/zinc/78/10/26/1368781026.db2.gz MGQYLOKYZUUKPW-UHFFFAOYSA-N 1 2 335.517 3.397 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[N@H+](Cc2nc(C)c(C)s2)CC1 ZINC001197291826 1368781029 /nfs/dbraw/zinc/78/10/29/1368781029.db2.gz MGQYLOKYZUUKPW-UHFFFAOYSA-N 1 2 335.517 3.397 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H](C)C1 ZINC001112495274 1368890812 /nfs/dbraw/zinc/89/08/12/1368890812.db2.gz PZWJYWLBFOTNND-SUMWQHHRSA-N 1 2 330.476 3.232 20 30 EGEDLO CC(C)(C)C#CC(=O)N1CC[NH+]([C@@H]2CCc3c2cccc3F)CC1 ZINC001112837165 1369036512 /nfs/dbraw/zinc/03/65/12/1369036512.db2.gz VCOLERMKZVFSSQ-GOSISDBHSA-N 1 2 328.431 3.007 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC001112885712 1369068533 /nfs/dbraw/zinc/06/85/33/1369068533.db2.gz MUVPWVXCIZLSEE-OAHLLOKOSA-N 1 2 345.314 3.483 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)c1[nH]ccc1C)c1ccccc1OC ZINC001198704342 1369094422 /nfs/dbraw/zinc/09/44/22/1369094422.db2.gz KFUBHKRPHAAYKX-OAHLLOKOSA-N 1 2 347.846 3.145 20 30 EGEDLO C=CCCCCC[NH+]1CCN(C(=O)c2[nH]nc3ccc(C)cc32)CC1 ZINC001113064877 1369176172 /nfs/dbraw/zinc/17/61/72/1369176172.db2.gz QEQPVTYKVCQREW-UHFFFAOYSA-N 1 2 340.471 3.376 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC[NH+](CCOc2c(C)cccc2C)CC1 ZINC001113229317 1369277397 /nfs/dbraw/zinc/27/73/97/1369277397.db2.gz HLDXQFCRBQUJAZ-QFBILLFUSA-N 1 2 344.499 3.285 20 30 EGEDLO CC#CCCCC(=O)N1CC[NH+](CCOc2cc(C)ccc2C)CC1 ZINC001113234509 1369282261 /nfs/dbraw/zinc/28/22/61/1369282261.db2.gz BAEXWVZPONLEOA-UHFFFAOYSA-N 1 2 342.483 3.020 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C)c(OC)c2)CC1 ZINC001113243045 1369288523 /nfs/dbraw/zinc/28/85/23/1369288523.db2.gz CLEPLHJJKMNSSW-QGZVFWFLSA-N 1 2 330.472 3.250 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC001113246361 1369289528 /nfs/dbraw/zinc/28/95/28/1369289528.db2.gz KWRXYIPVFRBNEY-KRWDZBQOSA-N 1 2 342.483 3.474 20 30 EGEDLO CC#CCCCC(=O)N[C@@H](C)[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001113262582 1369299190 /nfs/dbraw/zinc/29/91/90/1369299190.db2.gz VKHJQHWVMKHVTF-GJZGRUSLSA-N 1 2 328.460 3.161 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[NH+](CCO[C@H]2CCCC[C@@H]2C)CC1 ZINC001113390909 1369392328 /nfs/dbraw/zinc/39/23/28/1369392328.db2.gz ZQIWXFBBMQSRRX-ROUUACIJSA-N 1 2 336.520 3.328 20 30 EGEDLO C=C1CCC(C(=O)N(C)CC(C)(C)CNc2cc[nH+]c(C)n2)CC1 ZINC001113457496 1369445675 /nfs/dbraw/zinc/44/56/75/1369445675.db2.gz QVMQLWPOVLFHNS-UHFFFAOYSA-N 1 2 330.476 3.428 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)CC[C@@H]1C ZINC001114054380 1369707229 /nfs/dbraw/zinc/70/72/29/1369707229.db2.gz BREFBUQSNQOILR-SUMWQHHRSA-N 1 2 344.503 3.335 20 30 EGEDLO C[C@H](NC(=O)Nc1sc2c(c1C#N)CC[N@@H+](C)C2)c1ccccc1 ZINC001202494123 1369789413 /nfs/dbraw/zinc/78/94/13/1369789413.db2.gz VYBBVDHWUBTLKM-LBPRGKRZSA-N 1 2 340.452 3.490 20 30 EGEDLO C[C@H](NC(=O)Nc1sc2c(c1C#N)CC[N@H+](C)C2)c1ccccc1 ZINC001202494123 1369789416 /nfs/dbraw/zinc/78/94/16/1369789416.db2.gz VYBBVDHWUBTLKM-LBPRGKRZSA-N 1 2 340.452 3.490 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@@H](CCCC)CNc2cc[nH+]c(C)n2)cc1 ZINC001114293056 1369857902 /nfs/dbraw/zinc/85/79/02/1369857902.db2.gz BOLYEEORVYSUMV-SFHVURJKSA-N 1 2 336.439 3.167 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@@H](CCCC)CNc1cc[nH+]c(C)n1 ZINC001114325266 1369885302 /nfs/dbraw/zinc/88/53/02/1369885302.db2.gz UGZYVUAZRIAGSZ-INIZCTEOSA-N 1 2 341.459 3.173 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC(F)(F)C(F)F)C12CCC2 ZINC001202985073 1369946240 /nfs/dbraw/zinc/94/62/40/1369946240.db2.gz ARBIVGKKIPTLMC-RYUDHWBXSA-N 1 2 336.373 3.260 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)CC1(C)C ZINC001114476498 1369965969 /nfs/dbraw/zinc/96/59/69/1369965969.db2.gz IPNSRHHKHMYYKL-OAHLLOKOSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CCCC(=O)N1C[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C[C@@H]1C ZINC001114673491 1370018845 /nfs/dbraw/zinc/01/88/45/1370018845.db2.gz BGIMVRZGESHTLP-GJZGRUSLSA-N 1 2 328.460 3.278 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(C(C)(C)C)on3)C[C@H]21 ZINC001114791805 1370082800 /nfs/dbraw/zinc/08/28/00/1370082800.db2.gz KJVNTWIBXZGYDB-VZHLBOQGSA-N 1 2 345.487 3.121 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(C(C)(C)C)on3)C[C@H]21 ZINC001114791805 1370082805 /nfs/dbraw/zinc/08/28/05/1370082805.db2.gz KJVNTWIBXZGYDB-VZHLBOQGSA-N 1 2 345.487 3.121 20 30 EGEDLO Cc1cc(NCCC[C@H](C)NC(=O)C#CC(C)C)nc(C2CC2)[nH+]1 ZINC001114925845 1370154646 /nfs/dbraw/zinc/15/46/46/1370154646.db2.gz AXJDAFMDUFVBEE-AWEZNQCLSA-N 1 2 328.460 3.019 20 30 EGEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1ccc2ccccc2c1 ZINC001203998439 1370343338 /nfs/dbraw/zinc/34/33/38/1370343338.db2.gz LWKGUVCEPCNZKC-HXUWFJFHSA-N 1 2 348.450 3.270 20 30 EGEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1ccc2ccccc2c1 ZINC001203998439 1370343342 /nfs/dbraw/zinc/34/33/42/1370343342.db2.gz LWKGUVCEPCNZKC-HXUWFJFHSA-N 1 2 348.450 3.270 20 30 EGEDLO C#Cc1ccc(C(=O)NCC[C@@H](Nc2cc[nH+]c(C)n2)C(C)C)cc1 ZINC001115346435 1370399700 /nfs/dbraw/zinc/39/97/00/1370399700.db2.gz HFOMGVWOIWTYPF-GOSISDBHSA-N 1 2 336.439 3.023 20 30 EGEDLO C=CCC1(C(=O)NC2[C@H]3C[N@@H+](C/C(Cl)=C/Cl)C[C@@H]23)CCCC1 ZINC001115365512 1370410743 /nfs/dbraw/zinc/41/07/43/1370410743.db2.gz YMNUDVQGZOLRTM-NQXSKVMFSA-N 1 2 343.298 3.488 20 30 EGEDLO C=CCC1(C(=O)NC2[C@H]3C[N@H+](C/C(Cl)=C/Cl)C[C@@H]23)CCCC1 ZINC001115365512 1370410745 /nfs/dbraw/zinc/41/07/45/1370410745.db2.gz YMNUDVQGZOLRTM-NQXSKVMFSA-N 1 2 343.298 3.488 20 30 EGEDLO C[C@H]1CC[N@H+](Cc2ccccc2C#N)CCN1C(=O)OC(C)(C)C ZINC001204368737 1370456153 /nfs/dbraw/zinc/45/61/53/1370456153.db2.gz VZBBLBCGFHBDIS-HNNXBMFYSA-N 1 2 329.444 3.390 20 30 EGEDLO C[C@H]1CC[N@@H+](Cc2ccccc2C#N)CCN1C(=O)OC(C)(C)C ZINC001204368737 1370456158 /nfs/dbraw/zinc/45/61/58/1370456158.db2.gz VZBBLBCGFHBDIS-HNNXBMFYSA-N 1 2 329.444 3.390 20 30 EGEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3cc(F)c(F)c(F)c3)CC2)nc1 ZINC001204529841 1370505316 /nfs/dbraw/zinc/50/53/16/1370505316.db2.gz RENHLDCHDZOFEF-UHFFFAOYSA-N 1 2 346.356 3.083 20 30 EGEDLO N#Cc1ccc(N2CCC[N@H+](Cc3cc(F)c(F)c(F)c3)CC2)nc1 ZINC001204529841 1370505321 /nfs/dbraw/zinc/50/53/21/1370505321.db2.gz RENHLDCHDZOFEF-UHFFFAOYSA-N 1 2 346.356 3.083 20 30 EGEDLO C#CCCCCC(=O)N(C)C[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001115682506 1370665427 /nfs/dbraw/zinc/66/54/27/1370665427.db2.gz QBDBEWFDKAOFJU-OAHLLOKOSA-N 1 2 328.460 3.115 20 30 EGEDLO CN(C)c1ccc([NH+]2CCC(Nc3cccc(CC#N)n3)CC2)cc1 ZINC001116662143 1370952804 /nfs/dbraw/zinc/95/28/04/1370952804.db2.gz RBDPCFADNMMOEC-UHFFFAOYSA-N 1 2 335.455 3.295 20 30 EGEDLO C=C[C@H](COC)NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC001117662647 1371059465 /nfs/dbraw/zinc/05/94/65/1371059465.db2.gz IOFMVMFVACVOPR-OAHLLOKOSA-N 1 2 340.427 3.209 20 30 EGEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)cc2Cl)C[C@H]1C ZINC001206659771 1371124600 /nfs/dbraw/zinc/12/46/00/1371124600.db2.gz QMAOFTGVWOHFPX-UEKVPHQBSA-N 1 2 340.254 3.090 20 30 EGEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2Cl)C[C@H]1C ZINC001206659771 1371124602 /nfs/dbraw/zinc/12/46/02/1371124602.db2.gz QMAOFTGVWOHFPX-UEKVPHQBSA-N 1 2 340.254 3.090 20 30 EGEDLO N#CCOc1cc(F)ccc1-c1ccc(C[NH+]2CCOCC2)cc1F ZINC001206704512 1371140191 /nfs/dbraw/zinc/14/01/91/1371140191.db2.gz XMPUYFSLIBPZFY-UHFFFAOYSA-N 1 2 344.361 3.366 20 30 EGEDLO N#Cc1c[nH]c2nccc(-c3ccc(C[NH+]4CCOCC4)cc3F)c12 ZINC001206712420 1371142933 /nfs/dbraw/zinc/14/29/33/1371142933.db2.gz MUYYTOCOVPKIJH-UHFFFAOYSA-N 1 2 336.370 3.024 20 30 EGEDLO COc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2F)c(CC#N)c1 ZINC001206720016 1371144745 /nfs/dbraw/zinc/14/47/45/1371144745.db2.gz UKQJVLHWJFDMCC-UHFFFAOYSA-N 1 2 340.398 3.400 20 30 EGEDLO CCCC[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206927162 1371228888 /nfs/dbraw/zinc/22/88/88/1371228888.db2.gz OFUMAEHIOORHMH-SPYBWZPUSA-N 1 2 345.462 3.460 20 30 EGEDLO CCCC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206927162 1371228890 /nfs/dbraw/zinc/22/88/90/1371228890.db2.gz OFUMAEHIOORHMH-SPYBWZPUSA-N 1 2 345.462 3.460 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ncc(C(C)(C)C)o2)C[C@H]1C ZINC001206947043 1371239901 /nfs/dbraw/zinc/23/99/01/1371239901.db2.gz CEQWTQSGYDSPND-BZUAXINKSA-N 1 2 345.487 3.129 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ncc(C(C)(C)C)o2)C[C@H]1C ZINC001206947043 1371239904 /nfs/dbraw/zinc/23/99/04/1371239904.db2.gz CEQWTQSGYDSPND-BZUAXINKSA-N 1 2 345.487 3.129 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)OCCCCCC)C1 ZINC001206960179 1371247879 /nfs/dbraw/zinc/24/78/79/1371247879.db2.gz XCUKHAKNXDTDLS-VNQPRFMTSA-N 1 2 330.900 3.161 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)OCCCCCC)C1 ZINC001206960179 1371247884 /nfs/dbraw/zinc/24/78/84/1371247884.db2.gz XCUKHAKNXDTDLS-VNQPRFMTSA-N 1 2 330.900 3.161 20 30 EGEDLO N#Cc1ccc(OC2CC[NH+](Cc3ncccn3)CC2)cc1Cl ZINC001207015539 1371267906 /nfs/dbraw/zinc/26/79/06/1371267906.db2.gz AWCGPQRMJUFQMN-UHFFFAOYSA-N 1 2 328.803 3.045 20 30 EGEDLO N#Cc1ccc([C@@H](O)C[NH2+][C@H](CCc2ccccc2)C(F)F)cc1 ZINC001120508323 1371594698 /nfs/dbraw/zinc/59/46/98/1371594698.db2.gz OQGBCTNBFKRHLI-MSOLQXFVSA-N 1 2 330.378 3.448 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1CCc1c(F)cccc1F ZINC001208117091 1371600912 /nfs/dbraw/zinc/60/09/12/1371600912.db2.gz FZYRUFSJDFRQRR-GOSISDBHSA-N 1 2 347.409 3.043 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1CCc1c(F)cccc1F ZINC001208117091 1371600920 /nfs/dbraw/zinc/60/09/20/1371600920.db2.gz FZYRUFSJDFRQRR-GOSISDBHSA-N 1 2 347.409 3.043 20 30 EGEDLO C=CCCCC(=O)N(C)C[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001120540808 1371604173 /nfs/dbraw/zinc/60/41/73/1371604173.db2.gz HKBYLHBUIJGVQM-CQSZACIVSA-N 1 2 330.476 3.279 20 30 EGEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1CC[C@@H](C)c1ccc(C)o1 ZINC001208163846 1371614741 /nfs/dbraw/zinc/61/47/41/1371614741.db2.gz WIISAFNIGPXWGA-RHSMWYFYSA-N 1 2 344.459 3.012 20 30 EGEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1CC[C@@H](C)c1ccc(C)o1 ZINC001208163846 1371614744 /nfs/dbraw/zinc/61/47/44/1371614744.db2.gz WIISAFNIGPXWGA-RHSMWYFYSA-N 1 2 344.459 3.012 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2nc(CCCC)no2)C1 ZINC001208239545 1371672355 /nfs/dbraw/zinc/67/23/55/1371672355.db2.gz CFARPTQLAWSQNE-OAHLLOKOSA-N 1 2 348.491 3.095 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nc(CCCC)no2)C1 ZINC001208261285 1371688793 /nfs/dbraw/zinc/68/87/93/1371688793.db2.gz MFPPHXTVNTURMY-HOTGVXAUSA-N 1 2 348.491 3.410 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2nc3c(o2)CCCC3)C[C@H]1C ZINC001208298697 1371705568 /nfs/dbraw/zinc/70/55/68/1371705568.db2.gz YCDPCSICKHHIEC-GDBMZVCRSA-N 1 2 345.487 3.092 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2nc3c(o2)CCCC3)C[C@H]1C ZINC001208298697 1371705570 /nfs/dbraw/zinc/70/55/70/1371705570.db2.gz YCDPCSICKHHIEC-GDBMZVCRSA-N 1 2 345.487 3.092 20 30 EGEDLO C=C(C)[C@H](CC(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1)OCC ZINC001120679264 1371705595 /nfs/dbraw/zinc/70/55/95/1371705595.db2.gz OWFXJTOJQPLWMN-IRXDYDNUSA-N 1 2 336.863 3.184 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc(C(C)C)no2)C[C@H]1C ZINC001208302182 1371706548 /nfs/dbraw/zinc/70/65/48/1371706548.db2.gz ZEYLRHQNCJUQAA-QLFBSQMISA-N 1 2 348.491 3.293 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc(C(C)C)no2)C[C@H]1C ZINC001208302182 1371706554 /nfs/dbraw/zinc/70/65/54/1371706554.db2.gz ZEYLRHQNCJUQAA-QLFBSQMISA-N 1 2 348.491 3.293 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3ccco3)on2)C[C@H]1C ZINC001208309920 1371711185 /nfs/dbraw/zinc/71/11/85/1371711185.db2.gz ZMWKLCLCSGJPDH-UKRRQHHQSA-N 1 2 343.427 3.083 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(-c3ccco3)on2)C[C@H]1C ZINC001208309920 1371711188 /nfs/dbraw/zinc/71/11/88/1371711188.db2.gz ZMWKLCLCSGJPDH-UKRRQHHQSA-N 1 2 343.427 3.083 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001208388031 1371748068 /nfs/dbraw/zinc/74/80/68/1371748068.db2.gz FHBKKIXSTAITKC-IIAWOOMASA-N 1 2 331.460 3.091 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001208388031 1371748070 /nfs/dbraw/zinc/74/80/70/1371748070.db2.gz FHBKKIXSTAITKC-IIAWOOMASA-N 1 2 331.460 3.091 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001208509199 1371793656 /nfs/dbraw/zinc/79/36/56/1371793656.db2.gz WFUMYMSDVBONKR-SIIHOXLZSA-N 1 2 335.879 3.274 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001208509199 1371793659 /nfs/dbraw/zinc/79/36/59/1371793659.db2.gz WFUMYMSDVBONKR-SIIHOXLZSA-N 1 2 335.879 3.274 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 ZINC001187782183 1388162194 /nfs/dbraw/zinc/16/21/94/1388162194.db2.gz UIAQWASAWUZMBF-UHFFFAOYSA-N 1 2 329.366 3.032 20 30 EGEDLO C=CCN1CC[NH+](C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001208769093 1371890793 /nfs/dbraw/zinc/89/07/93/1371890793.db2.gz WCQZTNADBSISJR-GOSISDBHSA-N 1 2 345.487 3.056 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1scnc1C ZINC001121612998 1372025524 /nfs/dbraw/zinc/02/55/24/1372025524.db2.gz SCXDGUUDOQYYKM-CQSZACIVSA-N 1 2 346.504 3.022 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)Cc1scnc1C ZINC001121612998 1372025526 /nfs/dbraw/zinc/02/55/26/1372025526.db2.gz SCXDGUUDOQYYKM-CQSZACIVSA-N 1 2 346.504 3.022 20 30 EGEDLO C=CCCC1(C(=O)N2CCC[C@H]([NH2+][C@H](C)c3nc(CC)no3)C2)CC1 ZINC001209453940 1372110535 /nfs/dbraw/zinc/11/05/35/1372110535.db2.gz HGFLHXNTLARXHB-CABCVRRESA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CC(C)C)C1 ZINC001209807413 1372203593 /nfs/dbraw/zinc/20/35/93/1372203593.db2.gz FCVCYGPLTGLZQS-YRGRVCCFSA-N 1 2 331.298 3.014 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CC(C)C)C1 ZINC001209807413 1372203599 /nfs/dbraw/zinc/20/35/99/1372203599.db2.gz FCVCYGPLTGLZQS-YRGRVCCFSA-N 1 2 331.298 3.014 20 30 EGEDLO N#Cc1c(F)ccc(F)c1Nc1ccccc1C[NH+]1CCOCC1 ZINC001209933486 1372235737 /nfs/dbraw/zinc/23/57/37/1372235737.db2.gz OMVLDGBSCNKKGT-UHFFFAOYSA-N 1 2 329.350 3.412 20 30 EGEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(CC)C[C@H](C)CC ZINC001122490749 1372257794 /nfs/dbraw/zinc/25/77/94/1372257794.db2.gz STIZNECTNADLIH-OAHLLOKOSA-N 1 2 330.480 3.051 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@](C)(OC)C1 ZINC001122623064 1372285711 /nfs/dbraw/zinc/28/57/11/1372285711.db2.gz OPRRBYLUFDFNMW-VQIMIIECSA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@](C)(OC)C1 ZINC001122623064 1372285714 /nfs/dbraw/zinc/28/57/14/1372285714.db2.gz OPRRBYLUFDFNMW-VQIMIIECSA-N 1 2 347.507 3.016 20 30 EGEDLO Cc1cc(N[C@@H]2C[C@H](C)N(C(=O)C#CC(C)(C)C)C2)nc(C2CC2)[nH+]1 ZINC001123202958 1372396558 /nfs/dbraw/zinc/39/65/58/1372396558.db2.gz MIZZAQDIVQYMBW-GOEBONIOSA-N 1 2 340.471 3.113 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@H]1C ZINC001123661130 1372546649 /nfs/dbraw/zinc/54/66/49/1372546649.db2.gz JZHLUSPVQZZZLA-DOTOQJQBSA-N 1 2 330.476 3.232 20 30 EGEDLO C=CC[C@H]1CCCN(c2nnc([C@@H]3CCC[N@H+]3C)n2CC2CC2)C1 ZINC001123728923 1372570765 /nfs/dbraw/zinc/57/07/65/1372570765.db2.gz HICJGMDLOMRVKF-RDJZCZTQSA-N 1 2 329.492 3.247 20 30 EGEDLO C=CC[C@H]1CCCN(c2nnc([C@@H]3CCC[N@@H+]3C)n2CC2CC2)C1 ZINC001123728923 1372570769 /nfs/dbraw/zinc/57/07/69/1372570769.db2.gz HICJGMDLOMRVKF-RDJZCZTQSA-N 1 2 329.492 3.247 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001123762147 1372580801 /nfs/dbraw/zinc/58/08/01/1372580801.db2.gz RMWJDEXWJGNZOD-GOEBONIOSA-N 1 2 328.460 3.325 20 30 EGEDLO N#Cc1c2c(sc1Nc1ccc[nH+]c1N1CCOCC1)CCC2 ZINC001212352056 1372692316 /nfs/dbraw/zinc/69/23/16/1372692316.db2.gz GINZZPIZUFFUSX-UHFFFAOYSA-N 1 2 326.425 3.084 20 30 EGEDLO CNC(=O)c1cc(C#N)cc(C)c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212699318 1372756239 /nfs/dbraw/zinc/75/62/39/1372756239.db2.gz ZHKWOFGHLAGRKQ-UHFFFAOYSA-N 1 2 345.406 3.215 20 30 EGEDLO N#Cc1ccsc1Nc1ccc(OCC[NH+]2CCOCC2)cc1F ZINC001213477993 1372911317 /nfs/dbraw/zinc/91/13/17/1372911317.db2.gz KFNROBBXKLJWHH-UHFFFAOYSA-N 1 2 347.415 3.213 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)C[C@@H](C)CC)c2C1 ZINC001128332217 1373253217 /nfs/dbraw/zinc/25/32/17/1373253217.db2.gz OIAANIVGYXGUMM-KRWDZBQOSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)C[C@@H](C)CC)c2C1 ZINC001128332217 1373253223 /nfs/dbraw/zinc/25/32/23/1373253223.db2.gz OIAANIVGYXGUMM-KRWDZBQOSA-N 1 2 346.519 3.498 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)C[C@@H]3C[C@@H]3C)c2C1 ZINC001128475652 1373274077 /nfs/dbraw/zinc/27/40/77/1373274077.db2.gz FDZVYMGQWNAEOL-IRXDYDNUSA-N 1 2 346.519 3.331 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)C[C@@H]3C[C@@H]3C)c2C1 ZINC001128475652 1373274080 /nfs/dbraw/zinc/27/40/80/1373274080.db2.gz FDZVYMGQWNAEOL-IRXDYDNUSA-N 1 2 346.519 3.331 20 30 EGEDLO C=CCC(C)(C)C(=O)NCc1cnn2c1C[N@H+](CCCCCC)CC2 ZINC001128509214 1373279789 /nfs/dbraw/zinc/27/97/89/1373279789.db2.gz GUNVSIRJBHUGMU-UHFFFAOYSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCC(C)(C)C(=O)NCc1cnn2c1C[N@@H+](CCCCCC)CC2 ZINC001128509214 1373279791 /nfs/dbraw/zinc/27/97/91/1373279791.db2.gz GUNVSIRJBHUGMU-UHFFFAOYSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CC1(CC(=O)NCc2cnn3c2C[N@H+](C(C)C)CC3)CCCCC1 ZINC001128517559 1373281922 /nfs/dbraw/zinc/28/19/22/1373281922.db2.gz MXFUDXJFCITZKK-UHFFFAOYSA-N 1 2 344.503 3.250 20 30 EGEDLO C=CC1(CC(=O)NCc2cnn3c2C[N@@H+](C(C)C)CC3)CCCCC1 ZINC001128517559 1373281923 /nfs/dbraw/zinc/28/19/23/1373281923.db2.gz MXFUDXJFCITZKK-UHFFFAOYSA-N 1 2 344.503 3.250 20 30 EGEDLO CCCCCCC[N@@H+]1Cc2cnn(C3CCN(C(C)=O)CC3)c2C1 ZINC001130163771 1373466252 /nfs/dbraw/zinc/46/62/52/1373466252.db2.gz QNFKQJPFWVYLRW-UHFFFAOYSA-N 1 2 332.492 3.353 20 30 EGEDLO CCCCCCC[N@H+]1Cc2cnn(C3CCN(C(C)=O)CC3)c2C1 ZINC001130163771 1373466257 /nfs/dbraw/zinc/46/62/57/1373466257.db2.gz QNFKQJPFWVYLRW-UHFFFAOYSA-N 1 2 332.492 3.353 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)C(C)(C)CCC)C[C@H](C)O2 ZINC001131682563 1373761058 /nfs/dbraw/zinc/76/10/58/1373761058.db2.gz QEUPLKCTRTWZLE-YJBOKZPZSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C(C)(C)CCC)C[C@H](C)O2 ZINC001131682563 1373761062 /nfs/dbraw/zinc/76/10/62/1373761062.db2.gz QEUPLKCTRTWZLE-YJBOKZPZSA-N 1 2 342.911 3.257 20 30 EGEDLO CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131855995 1373842484 /nfs/dbraw/zinc/84/24/84/1373842484.db2.gz GLLRXLSXWUKALL-KBXCAEBGSA-N 1 2 331.435 3.357 20 30 EGEDLO CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131855995 1373842487 /nfs/dbraw/zinc/84/24/87/1373842487.db2.gz GLLRXLSXWUKALL-KBXCAEBGSA-N 1 2 331.435 3.357 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([NH2+]Cc3nc(C(C)C)no3)C2)CCCC1 ZINC001188490256 1388317646 /nfs/dbraw/zinc/31/76/46/1388317646.db2.gz MYWYORISNTUNCT-OAHLLOKOSA-N 1 2 346.475 3.020 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001131959411 1375071224 /nfs/dbraw/zinc/07/12/24/1375071224.db2.gz FEYMPMUDRWDNJR-CJNGLKHVSA-N 1 2 347.409 3.430 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001131959411 1375071228 /nfs/dbraw/zinc/07/12/28/1375071228.db2.gz FEYMPMUDRWDNJR-CJNGLKHVSA-N 1 2 347.409 3.430 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001131961466 1375072052 /nfs/dbraw/zinc/07/20/52/1375072052.db2.gz VMCFWMYXSOVZPR-CZUORRHYSA-N 1 2 347.409 3.430 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001131961466 1375072056 /nfs/dbraw/zinc/07/20/56/1375072056.db2.gz VMCFWMYXSOVZPR-CZUORRHYSA-N 1 2 347.409 3.430 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC=C(Cl)Cl)C1 ZINC001131976669 1375079828 /nfs/dbraw/zinc/07/98/28/1375079828.db2.gz NNILYTYHIVXBAR-UONOGXRCSA-N 1 2 331.287 3.468 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC=C(Cl)Cl)C1 ZINC001131976669 1375079831 /nfs/dbraw/zinc/07/98/31/1375079831.db2.gz NNILYTYHIVXBAR-UONOGXRCSA-N 1 2 331.287 3.468 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCCC2CCOCC2)CC[C@H]1C ZINC001132082278 1375136794 /nfs/dbraw/zinc/13/67/94/1375136794.db2.gz GBPLIVBLHXDEPC-NVXWUHKLSA-N 1 2 342.911 3.305 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCCC2CCOCC2)CC[C@H]1C ZINC001132082278 1375136796 /nfs/dbraw/zinc/13/67/96/1375136796.db2.gz GBPLIVBLHXDEPC-NVXWUHKLSA-N 1 2 342.911 3.305 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2nccs2)C1 ZINC001132227526 1375222871 /nfs/dbraw/zinc/22/28/71/1375222871.db2.gz FHCKMABSXFVJKP-JKSUJKDBSA-N 1 2 333.501 3.196 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2nccs2)C1 ZINC001132227526 1375222873 /nfs/dbraw/zinc/22/28/73/1375222873.db2.gz FHCKMABSXFVJKP-JKSUJKDBSA-N 1 2 333.501 3.196 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001132236148 1375231613 /nfs/dbraw/zinc/23/16/13/1375231613.db2.gz ZANIGEVCCKJAKS-DOTOQJQBSA-N 1 2 347.890 3.398 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001132236148 1375231616 /nfs/dbraw/zinc/23/16/16/1375231616.db2.gz ZANIGEVCCKJAKS-DOTOQJQBSA-N 1 2 347.890 3.398 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3snnc3C)C2)CC1 ZINC001132278735 1375262649 /nfs/dbraw/zinc/26/26/49/1375262649.db2.gz PYHBANQGXNQSDI-DZGCQCFKSA-N 1 2 348.516 3.062 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3snnc3C)C2)CC1 ZINC001132278735 1375262652 /nfs/dbraw/zinc/26/26/52/1375262652.db2.gz PYHBANQGXNQSDI-DZGCQCFKSA-N 1 2 348.516 3.062 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCN(C)c2ccccc2)CC[C@H]1C ZINC001132365609 1375329329 /nfs/dbraw/zinc/32/93/29/1375329329.db2.gz MXMCCNWBCFZXCH-SJORKVTESA-N 1 2 349.906 3.235 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCN(C)c2ccccc2)CC[C@H]1C ZINC001132365609 1375329335 /nfs/dbraw/zinc/32/93/35/1375329335.db2.gz MXMCCNWBCFZXCH-SJORKVTESA-N 1 2 349.906 3.235 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)COCCCCCC)CC[C@H]1C ZINC001132445402 1375389264 /nfs/dbraw/zinc/38/92/64/1375389264.db2.gz NZQHLYCUIGUSDJ-CVEARBPZSA-N 1 2 330.900 3.305 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)COCCCCCC)CC[C@H]1C ZINC001132445402 1375389266 /nfs/dbraw/zinc/38/92/66/1375389266.db2.gz NZQHLYCUIGUSDJ-CVEARBPZSA-N 1 2 330.900 3.305 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(C(C)C)n1 ZINC001228112429 1375519505 /nfs/dbraw/zinc/51/95/05/1375519505.db2.gz JXXXIMOYZFKNSD-BZUAXINKSA-N 1 2 348.491 3.312 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC001228579121 1375603209 /nfs/dbraw/zinc/60/32/09/1375603209.db2.gz GUAHCBJJFPAJEP-UHFFFAOYSA-N 1 2 331.460 3.235 20 30 EGEDLO Cc1nc(-c2ccc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@H+]4C)cc2)cs1 ZINC001228630373 1375621952 /nfs/dbraw/zinc/62/19/52/1375621952.db2.gz LZQDFPNHCNWHSU-UEMTWOCFSA-N 1 2 328.437 3.110 20 30 EGEDLO Cc1nc(-c2ccc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@@H+]4C)cc2)cs1 ZINC001228630373 1375621959 /nfs/dbraw/zinc/62/19/59/1375621959.db2.gz LZQDFPNHCNWHSU-UEMTWOCFSA-N 1 2 328.437 3.110 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)CCCC2CC2)CC1 ZINC001228737832 1375656252 /nfs/dbraw/zinc/65/62/52/1375656252.db2.gz XUNLZCMPZCCKGZ-UHFFFAOYSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC1CC[NH+]([C@H](C)c2nnc(C)s2)CC1 ZINC001228809970 1375683741 /nfs/dbraw/zinc/68/37/41/1375683741.db2.gz NZCYNPNGVVLTST-OCCSQVGLSA-N 1 2 336.505 3.090 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC1CC[NH+]([C@H](C)c2nnc(C)s2)CC1 ZINC001228809971 1375683759 /nfs/dbraw/zinc/68/37/59/1375683759.db2.gz NZCYNPNGVVLTST-TZMCWYRMSA-N 1 2 336.505 3.090 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@H]21 ZINC001188903056 1388404872 /nfs/dbraw/zinc/40/48/72/1388404872.db2.gz FJJGRCKPFJOSOV-DJRMKIQDSA-N 1 2 329.271 3.032 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@H]21 ZINC001188903056 1388404874 /nfs/dbraw/zinc/40/48/74/1388404874.db2.gz FJJGRCKPFJOSOV-DJRMKIQDSA-N 1 2 329.271 3.032 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(C(C)C)n3)C[C@H]21 ZINC001188908815 1388406271 /nfs/dbraw/zinc/40/62/71/1388406271.db2.gz JUUXXBLZEUDLII-ZIFCJYIRSA-N 1 2 344.503 3.099 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccn(C(C)C)n3)C[C@H]21 ZINC001188908815 1388406275 /nfs/dbraw/zinc/40/62/75/1388406275.db2.gz JUUXXBLZEUDLII-ZIFCJYIRSA-N 1 2 344.503 3.099 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@H]21 ZINC001188909114 1388407674 /nfs/dbraw/zinc/40/76/74/1388407674.db2.gz NLEXHGAKTRQRKJ-JKUQKXAZSA-N 1 2 331.287 3.440 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@H]21 ZINC001188909114 1388407676 /nfs/dbraw/zinc/40/76/76/1388407676.db2.gz NLEXHGAKTRQRKJ-JKUQKXAZSA-N 1 2 331.287 3.440 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)CCC2(C)CC2)CC1 ZINC001229879039 1375909475 /nfs/dbraw/zinc/90/94/75/1375909475.db2.gz SFGZJSOYBYBDLK-UHFFFAOYSA-N 1 2 329.282 3.056 20 30 EGEDLO CC1(CCC(=O)NC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)CC1 ZINC001229878954 1375910044 /nfs/dbraw/zinc/91/00/44/1375910044.db2.gz PDJVUSOCKMGJNC-UHFFFAOYSA-N 1 2 343.446 3.358 20 30 EGEDLO C=CCCC1(C(=O)NCC[NH2+][C@@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC001133373613 1375952990 /nfs/dbraw/zinc/95/29/90/1375952990.db2.gz DTGWGHJIHQMYGJ-AWEZNQCLSA-N 1 2 333.476 3.485 20 30 EGEDLO C#C[C@H]1CCC[C@H]1Oc1ccc2c(c1)[C@H]1OCC[N@@H+](CCC)[C@@H]1CO2 ZINC001230428213 1376028422 /nfs/dbraw/zinc/02/84/22/1376028422.db2.gz VKBDIKPECRRJLL-BQBKMSKFSA-N 1 2 341.451 3.412 20 30 EGEDLO C#C[C@H]1CCC[C@H]1Oc1ccc2c(c1)[C@H]1OCC[N@H+](CCC)[C@@H]1CO2 ZINC001230428213 1376028425 /nfs/dbraw/zinc/02/84/25/1376028425.db2.gz VKBDIKPECRRJLL-BQBKMSKFSA-N 1 2 341.451 3.412 20 30 EGEDLO C#C[C@@H](CCC)Oc1ccc2c(c1)[C@H]1OCC[N@H+](CCC)[C@@H]1CO2 ZINC001230427639 1376028755 /nfs/dbraw/zinc/02/87/55/1376028755.db2.gz PGXONVXCOVUXKU-QKYXUNIQSA-N 1 2 329.440 3.412 20 30 EGEDLO C#C[C@@H](CCC)Oc1ccc2c(c1)[C@H]1OCC[N@@H+](CCC)[C@@H]1CO2 ZINC001230427639 1376028763 /nfs/dbraw/zinc/02/87/63/1376028763.db2.gz PGXONVXCOVUXKU-QKYXUNIQSA-N 1 2 329.440 3.412 20 30 EGEDLO CCC(CC)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001230829713 1376161931 /nfs/dbraw/zinc/16/19/31/1376161931.db2.gz QUSDGEINAZVJMC-QGZVFWFLSA-N 1 2 331.435 3.166 20 30 EGEDLO CCC(CC)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001230829713 1376161934 /nfs/dbraw/zinc/16/19/34/1376161934.db2.gz QUSDGEINAZVJMC-QGZVFWFLSA-N 1 2 331.435 3.166 20 30 EGEDLO C=C(Cl)C[N@@H+](CCCNC(=O)[C@H]1C[C@H]1C(C)C)Cc1cccnc1 ZINC001230881685 1376176385 /nfs/dbraw/zinc/17/63/85/1376176385.db2.gz JNIAEBRIXWOVEI-ROUUACIJSA-N 1 2 349.906 3.435 20 30 EGEDLO C=C(Cl)C[N@H+](CCCNC(=O)[C@H]1C[C@H]1C(C)C)Cc1cccnc1 ZINC001230881685 1376176387 /nfs/dbraw/zinc/17/63/87/1376176387.db2.gz JNIAEBRIXWOVEI-ROUUACIJSA-N 1 2 349.906 3.435 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F)C(=O)/C=C/C(C)(C)C ZINC001231285211 1376222113 /nfs/dbraw/zinc/22/21/13/1376222113.db2.gz ZMFYDAYLGAOHON-LKUPDRCFSA-N 1 2 343.446 3.332 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1cc(C#N)ccc1F)C(=O)/C=C/C(C)(C)C ZINC001231285211 1376222117 /nfs/dbraw/zinc/22/21/17/1376222117.db2.gz ZMFYDAYLGAOHON-LKUPDRCFSA-N 1 2 343.446 3.332 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(Cl)c(O)c3)CC2)cc1 ZINC001231733989 1376309028 /nfs/dbraw/zinc/30/90/28/1376309028.db2.gz MTPIZCLUVXHWCS-UHFFFAOYSA-N 1 2 327.815 3.239 20 30 EGEDLO COc1ccccc1OC1CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232678792 1376500290 /nfs/dbraw/zinc/50/02/90/1376500290.db2.gz QFEWPKGLWYALQV-UHFFFAOYSA-N 1 2 338.407 3.316 20 30 EGEDLO COC(=O)c1cccc([C@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2O)c1 ZINC001232681247 1376501211 /nfs/dbraw/zinc/50/12/11/1376501211.db2.gz OFNGGNRIGPKANP-GOSISDBHSA-N 1 2 336.391 3.388 20 30 EGEDLO COC(=O)c1cccc([C@H]2CCC[N@H+]2Cc2cc(C#N)ccc2O)c1 ZINC001232681247 1376501214 /nfs/dbraw/zinc/50/12/14/1376501214.db2.gz OFNGGNRIGPKANP-GOSISDBHSA-N 1 2 336.391 3.388 20 30 EGEDLO CCC(=CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)CC ZINC001233645235 1376690327 /nfs/dbraw/zinc/69/03/27/1376690327.db2.gz XRZZEYFCMYQQRL-IBGZPJMESA-N 1 2 325.456 3.337 20 30 EGEDLO CCC(=CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)CC ZINC001233645235 1376690332 /nfs/dbraw/zinc/69/03/32/1376690332.db2.gz XRZZEYFCMYQQRL-IBGZPJMESA-N 1 2 325.456 3.337 20 30 EGEDLO C#CC[NH+]1CCN(Cc2ccc(C)cc2OCc2ccccc2)CC1 ZINC001233646393 1376690749 /nfs/dbraw/zinc/69/07/49/1376690749.db2.gz PZQJWBAXDQFVCU-UHFFFAOYSA-N 1 2 334.463 3.325 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(Cl)cc1OC ZINC001233946353 1376740307 /nfs/dbraw/zinc/74/03/07/1376740307.db2.gz AAIKBZVCPPHOCV-QGZVFWFLSA-N 1 2 348.874 3.185 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(Cl)cc1OC ZINC001233946353 1376740311 /nfs/dbraw/zinc/74/03/11/1376740311.db2.gz AAIKBZVCPPHOCV-QGZVFWFLSA-N 1 2 348.874 3.185 20 30 EGEDLO CC/C(C)=C/C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001234129985 1376772900 /nfs/dbraw/zinc/77/29/00/1376772900.db2.gz LICPVVIULWPRTL-ZGUWOUCSSA-N 1 2 329.419 3.086 20 30 EGEDLO CC/C(C)=C/C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001234129985 1376772905 /nfs/dbraw/zinc/77/29/05/1376772905.db2.gz LICPVVIULWPRTL-ZGUWOUCSSA-N 1 2 329.419 3.086 20 30 EGEDLO CC/C(C)=C\C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001234130569 1376773392 /nfs/dbraw/zinc/77/33/92/1376773392.db2.gz NHNWSDSVQZGKNQ-WLGQOEQESA-N 1 2 328.431 3.066 20 30 EGEDLO CC/C(C)=C\C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001234130569 1376773398 /nfs/dbraw/zinc/77/33/98/1376773398.db2.gz NHNWSDSVQZGKNQ-WLGQOEQESA-N 1 2 328.431 3.066 20 30 EGEDLO CC(C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)=C1CCC1 ZINC001234152653 1376778749 /nfs/dbraw/zinc/77/87/49/1376778749.db2.gz XAJSLIVOKSVXQN-HNNXBMFYSA-N 1 2 329.469 3.153 20 30 EGEDLO CC(C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)=C1CCC1 ZINC001234152653 1376778756 /nfs/dbraw/zinc/77/87/56/1376778756.db2.gz XAJSLIVOKSVXQN-HNNXBMFYSA-N 1 2 329.469 3.153 20 30 EGEDLO COc1cc(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c(Cl)cn1 ZINC001234218013 1376789879 /nfs/dbraw/zinc/78/98/79/1376789879.db2.gz CHOIDGOHZQRTJK-OAHLLOKOSA-N 1 2 343.814 3.269 20 30 EGEDLO COc1cc(O[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c(Cl)cn1 ZINC001234218013 1376789883 /nfs/dbraw/zinc/78/98/83/1376789883.db2.gz CHOIDGOHZQRTJK-OAHLLOKOSA-N 1 2 343.814 3.269 20 30 EGEDLO N#C[C@H]1CCCN(Cc2ccc(-n3cc[nH+]c3)c(Br)c2)C1 ZINC001235034192 1376833432 /nfs/dbraw/zinc/83/34/32/1376833432.db2.gz JFMXIEDPDDVPBV-CQSZACIVSA-N 1 2 345.244 3.370 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3CCC3)CC2)c(Cl)c1 ZINC001238085816 1376994176 /nfs/dbraw/zinc/99/41/76/1376994176.db2.gz NHKPVEYBHKTZFE-UHFFFAOYSA-N 1 2 331.847 3.046 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3CCC3)CC2)c(Cl)c1 ZINC001238085816 1376994180 /nfs/dbraw/zinc/99/41/80/1376994180.db2.gz NHKPVEYBHKTZFE-UHFFFAOYSA-N 1 2 331.847 3.046 20 30 EGEDLO N#Cc1cccc(N2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)c1 ZINC001238084947 1376995020 /nfs/dbraw/zinc/99/50/20/1376995020.db2.gz RPYYTSKWAJZCFW-UHFFFAOYSA-N 1 2 336.826 3.406 20 30 EGEDLO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1=S ZINC001261656066 1377125704 /nfs/dbraw/zinc/12/57/04/1377125704.db2.gz OERSZRWBTYOHLT-HZPDHXFCSA-N 1 2 336.505 3.147 20 30 EGEDLO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1=S ZINC001261656066 1377125707 /nfs/dbraw/zinc/12/57/07/1377125707.db2.gz OERSZRWBTYOHLT-HZPDHXFCSA-N 1 2 336.505 3.147 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cc(OC)ccc1F)CCO2 ZINC001137993390 1377662089 /nfs/dbraw/zinc/66/20/89/1377662089.db2.gz MTVRUNXYKGIBBU-FXAWDEMLSA-N 1 2 349.446 3.408 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cc(OC)ccc1F)CCO2 ZINC001137993390 1377662091 /nfs/dbraw/zinc/66/20/91/1377662091.db2.gz MTVRUNXYKGIBBU-FXAWDEMLSA-N 1 2 349.446 3.408 20 30 EGEDLO Cn1c2ccccc2nc1C[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001138380388 1377712384 /nfs/dbraw/zinc/71/23/84/1377712384.db2.gz BIRKTRMCCQOALT-UHFFFAOYSA-N 1 2 346.434 3.488 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(F)cnc1Cl)C2 ZINC001138892679 1377800868 /nfs/dbraw/zinc/80/08/68/1377800868.db2.gz USCOSHNWLURSCC-RDJZCZTQSA-N 1 2 340.826 3.200 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(F)cnc1Cl)C2 ZINC001138892679 1377800869 /nfs/dbraw/zinc/80/08/69/1377800869.db2.gz USCOSHNWLURSCC-RDJZCZTQSA-N 1 2 340.826 3.200 20 30 EGEDLO C=CCOc1ccccc1C[N@@H+]1Cc2nn(CC)cc2[C@H](COC)C1 ZINC001139029463 1377819657 /nfs/dbraw/zinc/81/96/57/1377819657.db2.gz YYXZNXIHVODSCR-KRWDZBQOSA-N 1 2 341.455 3.214 20 30 EGEDLO C=CCOc1ccccc1C[N@H+]1Cc2nn(CC)cc2[C@H](COC)C1 ZINC001139029463 1377819658 /nfs/dbraw/zinc/81/96/58/1377819658.db2.gz YYXZNXIHVODSCR-KRWDZBQOSA-N 1 2 341.455 3.214 20 30 EGEDLO CC(C)(C)N1CC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CC1=O ZINC001139405192 1377879983 /nfs/dbraw/zinc/87/99/83/1377879983.db2.gz JSWDJUZVJYGKCT-UHFFFAOYSA-N 1 2 348.450 3.063 20 30 EGEDLO CC(C)(C)N1CC[N@@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CC1=O ZINC001139405192 1377879986 /nfs/dbraw/zinc/87/99/86/1377879986.db2.gz JSWDJUZVJYGKCT-UHFFFAOYSA-N 1 2 348.450 3.063 20 30 EGEDLO COc1ccc(N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)c(C)c1 ZINC001139530313 1377898241 /nfs/dbraw/zinc/89/82/41/1377898241.db2.gz CBRNMTNKDVVIFS-UHFFFAOYSA-N 1 2 339.414 3.337 20 30 EGEDLO N#Cc1ccc(F)c(C[NH+]2CCN(c3nccc4occc43)CC2)c1 ZINC001139651353 1377926690 /nfs/dbraw/zinc/92/66/90/1377926690.db2.gz OUUYLQSLIQAETA-UHFFFAOYSA-N 1 2 336.370 3.161 20 30 EGEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC001139686683 1377934672 /nfs/dbraw/zinc/93/46/72/1377934672.db2.gz BNHCMPLHZKMBTC-UHFFFAOYSA-N 1 2 326.831 3.319 20 30 EGEDLO N#Cc1c(Cl)cccc1C[N@H+]1CCCN(c2ccccn2)CC1 ZINC001139686683 1377934674 /nfs/dbraw/zinc/93/46/74/1377934674.db2.gz BNHCMPLHZKMBTC-UHFFFAOYSA-N 1 2 326.831 3.319 20 30 EGEDLO N#Cc1c(Cl)cccc1C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC001139691053 1377935106 /nfs/dbraw/zinc/93/51/06/1377935106.db2.gz QESFGSPHDRYCNI-UHFFFAOYSA-N 1 2 331.847 3.046 20 30 EGEDLO C=CCn1cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2CCC)cn1 ZINC001139771382 1377949431 /nfs/dbraw/zinc/94/94/31/1377949431.db2.gz YJRMTLXNLAJIRY-QGZVFWFLSA-N 1 2 348.491 3.291 20 30 EGEDLO C=CCn1cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2CCC)cn1 ZINC001139771382 1377949435 /nfs/dbraw/zinc/94/94/35/1377949435.db2.gz YJRMTLXNLAJIRY-QGZVFWFLSA-N 1 2 348.491 3.291 20 30 EGEDLO CCn1cc2c(n1)C[N@@H+](Cc1c[nH]c3ccc(C#N)cc13)C[C@H]2COC ZINC001140111697 1378010588 /nfs/dbraw/zinc/01/05/88/1378010588.db2.gz CVBIITZKDOZEPX-INIZCTEOSA-N 1 2 349.438 3.002 20 30 EGEDLO CCn1cc2c(n1)C[N@H+](Cc1c[nH]c3ccc(C#N)cc13)C[C@H]2COC ZINC001140111697 1378010592 /nfs/dbraw/zinc/01/05/92/1378010592.db2.gz CVBIITZKDOZEPX-INIZCTEOSA-N 1 2 349.438 3.002 20 30 EGEDLO N#Cc1ccc2[nH]cc(C[N@@H+]3CCO[C@@H](COc4ccccc4)C3)c2c1 ZINC001140116054 1378011820 /nfs/dbraw/zinc/01/18/20/1378011820.db2.gz PPMOUNYAMREBRS-LJQANCHMSA-N 1 2 347.418 3.319 20 30 EGEDLO N#Cc1ccc2[nH]cc(C[N@H+]3CCO[C@@H](COc4ccccc4)C3)c2c1 ZINC001140116054 1378011823 /nfs/dbraw/zinc/01/18/23/1378011823.db2.gz PPMOUNYAMREBRS-LJQANCHMSA-N 1 2 347.418 3.319 20 30 EGEDLO COC(=O)[C@H]1C[N@H+](Cc2cc(C#N)ccc2Cl)Cc2ccccc21 ZINC001140604259 1378096279 /nfs/dbraw/zinc/09/62/79/1378096279.db2.gz XJXUMNNHNIEZDD-KRWDZBQOSA-N 1 2 340.810 3.484 20 30 EGEDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(C#N)ccc2Cl)Cc2ccccc21 ZINC001140604259 1378096281 /nfs/dbraw/zinc/09/62/81/1378096281.db2.gz XJXUMNNHNIEZDD-KRWDZBQOSA-N 1 2 340.810 3.484 20 30 EGEDLO N#Cc1c(F)cc(C[N@H+]2CCCC[C@](O)(C(F)(F)F)C2)cc1F ZINC001140752056 1378129347 /nfs/dbraw/zinc/12/93/47/1378129347.db2.gz FUQVJRMHAHVWDC-CQSZACIVSA-N 1 2 334.288 3.116 20 30 EGEDLO N#Cc1c(F)cc(C[N@@H+]2CCCC[C@](O)(C(F)(F)F)C2)cc1F ZINC001140752056 1378129349 /nfs/dbraw/zinc/12/93/49/1378129349.db2.gz FUQVJRMHAHVWDC-CQSZACIVSA-N 1 2 334.288 3.116 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(OC)cc2Cl)C1 ZINC001140824121 1378152883 /nfs/dbraw/zinc/15/28/83/1378152883.db2.gz YFRAEQDKVSVAAF-AWEZNQCLSA-N 1 2 338.835 3.225 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(OC)cc2Cl)C1 ZINC001140824121 1378152886 /nfs/dbraw/zinc/15/28/86/1378152886.db2.gz YFRAEQDKVSVAAF-AWEZNQCLSA-N 1 2 338.835 3.225 20 30 EGEDLO C[C@H]1C[C@H]2C[N@H+](Cc3ccc(Br)cc3C#N)CC[C@H]2O1 ZINC001141810352 1378381359 /nfs/dbraw/zinc/38/13/59/1378381359.db2.gz VIBCYNHVHFTTLL-HZUKXOBISA-N 1 2 335.245 3.320 20 30 EGEDLO C[C@H]1C[C@H]2C[N@@H+](Cc3ccc(Br)cc3C#N)CC[C@H]2O1 ZINC001141810352 1378381360 /nfs/dbraw/zinc/38/13/60/1378381360.db2.gz VIBCYNHVHFTTLL-HZUKXOBISA-N 1 2 335.245 3.320 20 30 EGEDLO CC1(C)C[N@H+](Cc2ccc(Br)cc2C#N)[C@](C)(CO)C1 ZINC001141807620 1378381374 /nfs/dbraw/zinc/38/13/74/1378381374.db2.gz TYRKZKBXSUVAOB-INIZCTEOSA-N 1 2 337.261 3.304 20 30 EGEDLO CC1(C)C[N@@H+](Cc2ccc(Br)cc2C#N)[C@](C)(CO)C1 ZINC001141807620 1378381375 /nfs/dbraw/zinc/38/13/75/1378381375.db2.gz TYRKZKBXSUVAOB-INIZCTEOSA-N 1 2 337.261 3.304 20 30 EGEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2coc3ccc(F)cc23)CC1 ZINC001141856316 1378386699 /nfs/dbraw/zinc/38/66/99/1378386699.db2.gz BXOPYQBPKQZWML-UHFFFAOYSA-N 1 2 330.359 3.241 20 30 EGEDLO N#Cc1c[nH]c2cc(NC(=O)C[N@@H+]3CCc4sccc4C3)ccc12 ZINC001142223521 1378422130 /nfs/dbraw/zinc/42/21/30/1378422130.db2.gz WHMNOOQYVSFDJA-UHFFFAOYSA-N 1 2 336.420 3.098 20 30 EGEDLO N#Cc1c[nH]c2cc(NC(=O)C[N@H+]3CCc4sccc4C3)ccc12 ZINC001142223521 1378422131 /nfs/dbraw/zinc/42/21/31/1378422131.db2.gz WHMNOOQYVSFDJA-UHFFFAOYSA-N 1 2 336.420 3.098 20 30 EGEDLO N#Cc1ccc2c(CN3CC[C@@H]([NH+]4CCCC4)C(F)(F)C3)c[nH]c2c1 ZINC001142929926 1378512238 /nfs/dbraw/zinc/51/22/38/1378512238.db2.gz GWLISAPTEZXUCX-GOSISDBHSA-N 1 2 344.409 3.345 20 30 EGEDLO O=C1C=C2C[N@H+](Cc3ccc(F)c(OC(F)(F)F)c3)CC[C@@H]2S1 ZINC001143443177 1378597502 /nfs/dbraw/zinc/59/75/02/1378597502.db2.gz XIGUMINTWPIAJY-ZDUSSCGKSA-N 1 2 347.333 3.498 20 30 EGEDLO O=C1C=C2C[N@@H+](Cc3ccc(F)c(OC(F)(F)F)c3)CC[C@@H]2S1 ZINC001143443177 1378597505 /nfs/dbraw/zinc/59/75/05/1378597505.db2.gz XIGUMINTWPIAJY-ZDUSSCGKSA-N 1 2 347.333 3.498 20 30 EGEDLO C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c1 ZINC001148616696 1379226502 /nfs/dbraw/zinc/22/65/02/1379226502.db2.gz ABGLSHKZTJZKFB-YOEHRIQHSA-N 1 2 347.409 3.259 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)CCC(C)C)[C@H]1C ZINC001284101971 1379473065 /nfs/dbraw/zinc/47/30/65/1379473065.db2.gz LYKOQYKKACOGSM-ZIAGYGMSSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)CCC(C)C)[C@H]1C ZINC001284101971 1379473061 /nfs/dbraw/zinc/47/30/61/1379473061.db2.gz LYKOQYKKACOGSM-ZIAGYGMSSA-N 1 2 331.298 3.300 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H]2C[N@H+](CC(=C)Cl)CCCO2)CCCC1 ZINC001150884056 1379626016 /nfs/dbraw/zinc/62/60/16/1379626016.db2.gz OJKXAWGHKLADFE-MRXNPFEDSA-N 1 2 340.895 3.083 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H]2C[N@@H+](CC(=C)Cl)CCCO2)CCCC1 ZINC001150884056 1379626022 /nfs/dbraw/zinc/62/60/22/1379626022.db2.gz OJKXAWGHKLADFE-MRXNPFEDSA-N 1 2 340.895 3.083 20 30 EGEDLO CCCCCCCC[C@H](C)C(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001151848537 1379798387 /nfs/dbraw/zinc/79/83/87/1379798387.db2.gz PKFHUJUSSKNGAW-HNNXBMFYSA-N 1 2 338.496 3.225 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)CCC(F)(F)F ZINC001152573186 1379950792 /nfs/dbraw/zinc/95/07/92/1379950792.db2.gz FMFFIGQUYXECRO-SNVBAGLBSA-N 1 2 345.203 3.064 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)CCC(F)(F)F ZINC001152573186 1379950794 /nfs/dbraw/zinc/95/07/94/1379950794.db2.gz FMFFIGQUYXECRO-SNVBAGLBSA-N 1 2 345.203 3.064 20 30 EGEDLO CC[N@H+](Cc1ccncc1Cl)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153281489 1380048112 /nfs/dbraw/zinc/04/81/12/1380048112.db2.gz PYJUQWIYUCOLIX-CQSZACIVSA-N 1 2 335.879 3.111 20 30 EGEDLO CC[N@@H+](Cc1ccncc1Cl)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153281489 1380048115 /nfs/dbraw/zinc/04/81/15/1380048115.db2.gz PYJUQWIYUCOLIX-CQSZACIVSA-N 1 2 335.879 3.111 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1noc2c1CCCC2 ZINC001153641557 1380108868 /nfs/dbraw/zinc/10/88/68/1380108868.db2.gz BNNSLFPCSDUMHQ-OAHLLOKOSA-N 1 2 333.476 3.236 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1noc2c1CCCC2 ZINC001153641557 1380108869 /nfs/dbraw/zinc/10/88/69/1380108869.db2.gz BNNSLFPCSDUMHQ-OAHLLOKOSA-N 1 2 333.476 3.236 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H](C)[N@H+](CC)Cc2nc(C)cs2)cc1 ZINC001154561722 1380306579 /nfs/dbraw/zinc/30/65/79/1380306579.db2.gz NUGVMADPKLYKDU-OAHLLOKOSA-N 1 2 341.480 3.073 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2nc(C)cs2)cc1 ZINC001154561722 1380306580 /nfs/dbraw/zinc/30/65/80/1380306580.db2.gz NUGVMADPKLYKDU-OAHLLOKOSA-N 1 2 341.480 3.073 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1nc(C)cs1 ZINC001154605256 1380315333 /nfs/dbraw/zinc/31/53/33/1380315333.db2.gz BARAXOWHJFAYKY-MRXNPFEDSA-N 1 2 335.517 3.362 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc(C)cs1 ZINC001154605256 1380315334 /nfs/dbraw/zinc/31/53/34/1380315334.db2.gz BARAXOWHJFAYKY-MRXNPFEDSA-N 1 2 335.517 3.362 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccncc1Cl ZINC001154719671 1380339433 /nfs/dbraw/zinc/33/94/33/1380339433.db2.gz KWDMTHGFJDFJBL-OAHLLOKOSA-N 1 2 335.879 3.255 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccncc1Cl ZINC001154719671 1380339436 /nfs/dbraw/zinc/33/94/36/1380339436.db2.gz KWDMTHGFJDFJBL-OAHLLOKOSA-N 1 2 335.879 3.255 20 30 EGEDLO COc1ccc2c(c1)nc(N1CC[NH2+]C[C@@H]1C#N)cc2-c1ccccc1 ZINC001156327533 1380559679 /nfs/dbraw/zinc/55/96/79/1380559679.db2.gz DICRWFQLGNXDNN-INIZCTEOSA-N 1 2 344.418 3.212 20 30 EGEDLO C=C[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1cscn1)c1ccccc1 ZINC001157058328 1380764791 /nfs/dbraw/zinc/76/47/91/1380764791.db2.gz SPUJDAUFGXOWFX-CRAIPNDOSA-N 1 2 343.496 3.440 20 30 EGEDLO C=C[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cscn1)c1ccccc1 ZINC001157058328 1380764796 /nfs/dbraw/zinc/76/47/96/1380764796.db2.gz SPUJDAUFGXOWFX-CRAIPNDOSA-N 1 2 343.496 3.440 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CC(C)C ZINC001157470837 1380920335 /nfs/dbraw/zinc/92/03/35/1380920335.db2.gz SGAAMUXNVWWNMM-CQSZACIVSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)CC(C)C ZINC001157470837 1380920358 /nfs/dbraw/zinc/92/03/58/1380920358.db2.gz SGAAMUXNVWWNMM-CQSZACIVSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC1(C)C ZINC001157818235 1381042898 /nfs/dbraw/zinc/04/28/98/1381042898.db2.gz HUSIMUXRCLEKKU-ZIAGYGMSSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC1(C)C ZINC001157818235 1381042905 /nfs/dbraw/zinc/04/29/05/1381042905.db2.gz HUSIMUXRCLEKKU-ZIAGYGMSSA-N 1 2 343.309 3.254 20 30 EGEDLO N#Cc1cnc(Cl)cc1C(F)(F)NCCc1cn2ccccc2[nH+]1 ZINC001158146331 1381141292 /nfs/dbraw/zinc/14/12/92/1381141292.db2.gz XZQOVXXTNFXINO-UHFFFAOYSA-N 1 2 347.756 3.136 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccn(CC)n1 ZINC001158377803 1381224799 /nfs/dbraw/zinc/22/47/99/1381224799.db2.gz PYBHDTVYKXRITC-PKOBYXMFSA-N 1 2 346.519 3.318 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccn(CC)n1 ZINC001158377803 1381224802 /nfs/dbraw/zinc/22/48/02/1381224802.db2.gz PYBHDTVYKXRITC-PKOBYXMFSA-N 1 2 346.519 3.318 20 30 EGEDLO Cc1cc(Cl)nc(N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c1C#N ZINC001158623356 1381327156 /nfs/dbraw/zinc/32/71/56/1381327156.db2.gz GJCXTAXZAGMQJD-ZDUSSCGKSA-N 1 2 340.805 3.225 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@H+](Cc2ncc(CC)o2)CC1 ZINC001160856790 1382216953 /nfs/dbraw/zinc/21/69/53/1382216953.db2.gz QJCODSNUWVNRJA-UHFFFAOYSA-N 1 2 345.487 3.478 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2ncc(CC)o2)CC1 ZINC001160856790 1382216956 /nfs/dbraw/zinc/21/69/56/1382216956.db2.gz QJCODSNUWVNRJA-UHFFFAOYSA-N 1 2 345.487 3.478 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCC1=CC[N@H+](Cc2nc(C)c(C)o2)CC1 ZINC001160941800 1382244654 /nfs/dbraw/zinc/24/46/54/1382244654.db2.gz QAAIPLJELMNRJJ-HUUCEWRRSA-N 1 2 345.487 3.388 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCC1=CC[N@@H+](Cc2nc(C)c(C)o2)CC1 ZINC001160941800 1382244657 /nfs/dbraw/zinc/24/46/57/1382244657.db2.gz QAAIPLJELMNRJJ-HUUCEWRRSA-N 1 2 345.487 3.388 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2ncc(CC)o2)CC1 ZINC001160941397 1382244809 /nfs/dbraw/zinc/24/48/09/1382244809.db2.gz MZYJDAAHNCOEFU-HOTGVXAUSA-N 1 2 345.487 3.334 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2ncc(CC)o2)CC1 ZINC001160941397 1382244815 /nfs/dbraw/zinc/24/48/15/1382244815.db2.gz MZYJDAAHNCOEFU-HOTGVXAUSA-N 1 2 345.487 3.334 20 30 EGEDLO C=CCOc1cc(C)nc(NCC(C)(C)c2cc(OC)cc[nH+]2)n1 ZINC001162129298 1382634214 /nfs/dbraw/zinc/63/42/14/1382634214.db2.gz FGFYJARVQHBNDL-UHFFFAOYSA-N 1 2 328.416 3.143 20 30 EGEDLO COc1cc[nH+]c(C(C)(C)CNc2nc(Cl)c(C#N)cc2C#N)c1 ZINC001162129826 1382634389 /nfs/dbraw/zinc/63/43/89/1382634389.db2.gz PYRCJRAIPMKBQZ-UHFFFAOYSA-N 1 2 341.802 3.272 20 30 EGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001295455830 1382646062 /nfs/dbraw/zinc/64/60/62/1382646062.db2.gz IZYPJOPHVUQWPC-ZDUSSCGKSA-N 1 2 348.362 3.121 20 30 EGEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCc2ccccc2N)[nH+]1 ZINC001163885746 1383133081 /nfs/dbraw/zinc/13/30/81/1383133081.db2.gz KLAFKHIGLBIYAI-ZSOQTWPFSA-N 1 2 344.484 3.465 20 30 EGEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCCn2cccc2)[nH+]1 ZINC001164447081 1383187562 /nfs/dbraw/zinc/18/75/62/1383187562.db2.gz OFPJJZJUSSDNJZ-UOCRBVKVSA-N 1 2 332.473 3.185 20 30 EGEDLO N#CCc1cc[nH+]c(N2CCC3(CC(=O)c4ccc(F)cc43)CC2)c1 ZINC001165350276 1383279553 /nfs/dbraw/zinc/27/95/53/1383279553.db2.gz LVGFJIHQBNFYIP-UHFFFAOYSA-N 1 2 335.382 3.411 20 30 EGEDLO COC(=O)Cc1c[nH]c2[nH+]ccc(NC(C)(C)c3ccc(C#N)cc3)c12 ZINC001165792261 1383345375 /nfs/dbraw/zinc/34/53/75/1383345375.db2.gz PNPMTWQYZVJJMV-UHFFFAOYSA-N 1 2 348.406 3.497 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1(C[NH2+]Cc2noc(C(C)C)n2)CC1 ZINC001166754976 1383471981 /nfs/dbraw/zinc/47/19/81/1383471981.db2.gz CRWZPFNKMUBOQM-HNNXBMFYSA-N 1 2 348.491 3.171 20 30 EGEDLO CCSc1cc[nH+]c(N2CCCN(c3ccc(C#N)cn3)CC2)c1 ZINC001166844290 1383486160 /nfs/dbraw/zinc/48/61/60/1383486160.db2.gz ZFGJEXLPMVBGTO-UHFFFAOYSA-N 1 2 339.468 3.177 20 30 EGEDLO N#Cc1ccc(-c2ccncc2)nc1N1CCC(n2cc[nH+]c2)CC1 ZINC001167125715 1383546056 /nfs/dbraw/zinc/54/60/56/1383546056.db2.gz RPJAEMOPFYBWJN-UHFFFAOYSA-N 1 2 330.395 3.053 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnc(CC(C)C)s1 ZINC001329627086 1389191465 /nfs/dbraw/zinc/19/14/65/1389191465.db2.gz DBNNYPZFAVSUOS-LBPRGKRZSA-N 1 2 329.897 3.144 20 30 EGEDLO C=CCc1cc(C)c[nH+]c1N[C@@H](CO)[C@@H](O)c1ccc(SC)cc1 ZINC001169087768 1384104754 /nfs/dbraw/zinc/10/47/54/1384104754.db2.gz HMHSZVHVGNQOAM-ROUUACIJSA-N 1 2 344.480 3.347 20 30 EGEDLO CC(C)(C)C(=O)N1CCC(CNc2cc(C3(C#N)CC3)cc[nH+]2)CC1 ZINC001170346672 1384296706 /nfs/dbraw/zinc/29/67/06/1384296706.db2.gz PTFHUDZTGCNBSD-UHFFFAOYSA-N 1 2 340.471 3.333 20 30 EGEDLO C=CC[C@@H]([NH2+][C@H]1CCc2ccc(Br)cc2C1)C(=O)OC ZINC001170856361 1384399956 /nfs/dbraw/zinc/39/99/56/1384399956.db2.gz LXFPMVVSONJYSE-LSDHHAIUSA-N 1 2 338.245 3.014 20 30 EGEDLO CC(C)(CC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CC1 ZINC001313444633 1384423056 /nfs/dbraw/zinc/42/30/56/1384423056.db2.gz GKHJYGVCOGFGRC-UHFFFAOYSA-N 1 2 325.456 3.029 20 30 EGEDLO COC(=O)[C@@](C)(Cc1ccccc1)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171191883 1384464761 /nfs/dbraw/zinc/46/47/61/1384464761.db2.gz HAKMNNMPPPDXOV-IIBYNOLFSA-N 1 2 336.435 3.253 20 30 EGEDLO CSCC[C@H]([NH2+][C@@H](C)Cc1cccc(C#N)c1)C(=O)OC(C)C ZINC001171194298 1384465377 /nfs/dbraw/zinc/46/53/77/1384465377.db2.gz JCPDOQLAXIQHIB-YOEHRIQHSA-N 1 2 334.485 3.152 20 30 EGEDLO CC(=O)CC(C)(C)Nc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(C)[nH+]1 ZINC001171499603 1384543064 /nfs/dbraw/zinc/54/30/64/1384543064.db2.gz UNURPVBVQMILJJ-KUDIEGTJSA-N 1 2 337.489 3.441 20 30 EGEDLO C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(N(C)C(=O)[C@@H](C)C#N)CC1 ZINC001316932296 1384703043 /nfs/dbraw/zinc/70/30/43/1384703043.db2.gz WTXVMZJLDIPIQD-UONOGXRCSA-N 1 2 346.475 3.116 20 30 EGEDLO CCCC[C@@](C)(F)C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001316983520 1384741551 /nfs/dbraw/zinc/74/15/51/1384741551.db2.gz XVSCBKXKFSIAPZ-AZUAARDMSA-N 1 2 348.437 3.286 20 30 EGEDLO CCCC[C@@](C)(F)C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001316983520 1384741552 /nfs/dbraw/zinc/74/15/52/1384741552.db2.gz XVSCBKXKFSIAPZ-AZUAARDMSA-N 1 2 348.437 3.286 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)cn3)C2)CCCC1 ZINC001317000155 1384757984 /nfs/dbraw/zinc/75/79/84/1384757984.db2.gz IZSHLBLHSAOEMC-KRWDZBQOSA-N 1 2 331.435 3.048 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)cn3)C2)CCCC1 ZINC001317000155 1384757992 /nfs/dbraw/zinc/75/79/92/1384757992.db2.gz IZSHLBLHSAOEMC-KRWDZBQOSA-N 1 2 331.435 3.048 20 30 EGEDLO COC(=O)[C@@H](Cc1cccc(F)c1)[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172296183 1384762629 /nfs/dbraw/zinc/76/26/29/1384762629.db2.gz FYKIFKZDTCNLQT-IFXJQAMLSA-N 1 2 340.398 3.002 20 30 EGEDLO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1Cc2nnc(C(F)(F)F)n2[C@H](C)C1 ZINC001172312569 1384767335 /nfs/dbraw/zinc/76/73/35/1384767335.db2.gz GZMFEIAGRGRZAF-VXGBXAGGSA-N 1 2 349.360 3.176 20 30 EGEDLO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1Cc2nnc(C(F)(F)F)n2[C@H](C)C1 ZINC001172312569 1384767340 /nfs/dbraw/zinc/76/73/40/1384767340.db2.gz GZMFEIAGRGRZAF-VXGBXAGGSA-N 1 2 349.360 3.176 20 30 EGEDLO CC(C)(C#N)[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172519706 1384808484 /nfs/dbraw/zinc/80/84/84/1384808484.db2.gz RDQHFGDXPHRMAH-OKZBNKHCSA-N 1 2 325.456 3.209 20 30 EGEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214713 1384937341 /nfs/dbraw/zinc/93/73/41/1384937341.db2.gz FHDYUABAVAKVSI-YOEHRIQHSA-N 1 2 334.416 3.259 20 30 EGEDLO C[C@@H]1C[N@@H+](C2CCC(C)(C#N)CC2)Cc2nnc(C(F)(F)F)n21 ZINC001173601119 1384985222 /nfs/dbraw/zinc/98/52/22/1384985222.db2.gz OYCWSQZZOIPWTP-CDWSIMAYSA-N 1 2 327.354 3.146 20 30 EGEDLO C[C@@H]1C[N@H+](C2CCC(C)(C#N)CC2)Cc2nnc(C(F)(F)F)n21 ZINC001173601119 1384985225 /nfs/dbraw/zinc/98/52/25/1384985225.db2.gz OYCWSQZZOIPWTP-CDWSIMAYSA-N 1 2 327.354 3.146 20 30 EGEDLO COC(=O)c1ccc(C[C@@H](C)[N@H+](CCC#N)Cc2cccnc2)cc1 ZINC001173726089 1385010188 /nfs/dbraw/zinc/01/01/88/1385010188.db2.gz RAEUIVKWZOIKGU-MRXNPFEDSA-N 1 2 337.423 3.215 20 30 EGEDLO COC(=O)c1ccc(C[C@@H](C)[N@@H+](CCC#N)Cc2cccnc2)cc1 ZINC001173726089 1385010195 /nfs/dbraw/zinc/01/01/95/1385010195.db2.gz RAEUIVKWZOIKGU-MRXNPFEDSA-N 1 2 337.423 3.215 20 30 EGEDLO Cc1nc(N=C2CCC[N@H+](Cc3ccccc3)C2)c(C#N)cc1C#N ZINC001174393370 1385104635 /nfs/dbraw/zinc/10/46/35/1385104635.db2.gz UUPNZNATIRMTKC-UHFFFAOYSA-N 1 2 329.407 3.335 20 30 EGEDLO Cc1nc(N=C2CCC[N@@H+](Cc3ccccc3)C2)c(C#N)cc1C#N ZINC001174393370 1385104637 /nfs/dbraw/zinc/10/46/37/1385104637.db2.gz UUPNZNATIRMTKC-UHFFFAOYSA-N 1 2 329.407 3.335 20 30 EGEDLO N#Cc1ccccc1C[NH2+][C@@H](CNC(=O)c1ccco1)c1ccccc1 ZINC001317714308 1385415675 /nfs/dbraw/zinc/41/56/75/1385415675.db2.gz OYYUFHOLNGILDS-IBGZPJMESA-N 1 2 345.402 3.412 20 30 EGEDLO C=CC[C@@H](C(=O)NCCC[NH2+]CC(F)(F)C(F)F)c1ccccc1 ZINC001176698675 1385662760 /nfs/dbraw/zinc/66/27/60/1385662760.db2.gz WFLWLMHIMYKJIP-CQSZACIVSA-N 1 2 346.368 3.343 20 30 EGEDLO C=CCC1(C(=O)NCCC[NH2+]Cc2noc(CCC)n2)CCCCC1 ZINC001176785862 1385696721 /nfs/dbraw/zinc/69/67/21/1385696721.db2.gz QFZBMGFWTYTNOT-UHFFFAOYSA-N 1 2 348.491 3.145 20 30 EGEDLO N#Cc1cnc(Nc2ccc[nH+]c2N2CCCC2)c(Br)c1 ZINC001176742953 1385678823 /nfs/dbraw/zinc/67/88/23/1385678823.db2.gz FOYFKUBAAPGMAJ-UHFFFAOYSA-N 1 2 344.216 3.455 20 30 EGEDLO N#Cc1cnn(-c2ccccc2)c1Nc1ccc[nH+]c1N1CCCC1 ZINC001176749999 1385682493 /nfs/dbraw/zinc/68/24/93/1385682493.db2.gz LDLQDEUUPPHSNK-UHFFFAOYSA-N 1 2 330.395 3.483 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@@H+](Cc3cccc(CC)c3)[C@H]2C1 ZINC001176955405 1385753884 /nfs/dbraw/zinc/75/38/84/1385753884.db2.gz SNAFTIOWNOKMJS-VQTJNVASSA-N 1 2 342.483 3.017 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@H+](Cc3cccc(CC)c3)[C@H]2C1 ZINC001176955405 1385753889 /nfs/dbraw/zinc/75/38/89/1385753889.db2.gz SNAFTIOWNOKMJS-VQTJNVASSA-N 1 2 342.483 3.017 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]2OCC[N@@H+](Cc3ccc(C)cc3)[C@H]2C1 ZINC001177072994 1385795273 /nfs/dbraw/zinc/79/52/73/1385795273.db2.gz MWCZZKBTZIRNRJ-PMACEKPBSA-N 1 2 342.483 3.153 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]2OCC[N@H+](Cc3ccc(C)cc3)[C@H]2C1 ZINC001177072994 1385795278 /nfs/dbraw/zinc/79/52/78/1385795278.db2.gz MWCZZKBTZIRNRJ-PMACEKPBSA-N 1 2 342.483 3.153 20 30 EGEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C(CC(C)C)CC(C)C)C[C@@H]21 ZINC001177157581 1385838653 /nfs/dbraw/zinc/83/86/53/1385838653.db2.gz SVZIRXADEYMQBG-VQTJNVASSA-N 1 2 348.531 3.020 20 30 EGEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(CC(C)C)CC(C)C)C[C@@H]21 ZINC001177157581 1385838654 /nfs/dbraw/zinc/83/86/54/1385838654.db2.gz SVZIRXADEYMQBG-VQTJNVASSA-N 1 2 348.531 3.020 20 30 EGEDLO C=CCC1(C(=O)NCCC[NH2+]Cc2noc(C3CCC3)n2)CCCC1 ZINC001177548142 1385993042 /nfs/dbraw/zinc/99/30/42/1385993042.db2.gz RKNLNHZHIXWHHM-UHFFFAOYSA-N 1 2 346.475 3.070 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)C1=CCCCCC1 ZINC001319991738 1386439686 /nfs/dbraw/zinc/43/96/86/1386439686.db2.gz STYNPYBHTNYMEV-UHFFFAOYSA-N 1 2 343.446 3.478 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)C1=CCCCCC1 ZINC001319991738 1386439688 /nfs/dbraw/zinc/43/96/88/1386439688.db2.gz STYNPYBHTNYMEV-UHFFFAOYSA-N 1 2 343.446 3.478 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnc(CC(C)C)s1 ZINC001329627086 1389191463 /nfs/dbraw/zinc/19/14/63/1389191463.db2.gz DBNNYPZFAVSUOS-LBPRGKRZSA-N 1 2 329.897 3.144 20 30 EGEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@H]1CCC ZINC001340329866 1390272098 /nfs/dbraw/zinc/27/20/98/1390272098.db2.gz LQKQWCUUGMEECC-IAGOWNOFSA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@H]1CCC ZINC001340329866 1390272102 /nfs/dbraw/zinc/27/21/02/1390272102.db2.gz LQKQWCUUGMEECC-IAGOWNOFSA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCn1c(N2CCC(Nc3cccc[nH+]3)CC2)nnc1C(C)(C)F ZINC001340342991 1390274376 /nfs/dbraw/zinc/27/43/76/1390274376.db2.gz UOGSHMRDAPMZCE-UHFFFAOYSA-N 1 2 344.438 3.145 20 30 EGEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCCC(CC)(CC)C1 ZINC001340595198 1390324145 /nfs/dbraw/zinc/32/41/45/1390324145.db2.gz XMOHPENDKJMRNR-UHFFFAOYSA-N 1 2 342.491 3.195 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CCCN(C(=O)OC)CC2)cc1Cl ZINC001341552711 1390500939 /nfs/dbraw/zinc/50/09/39/1390500939.db2.gz HZRPWMCPOZKSSO-UHFFFAOYSA-N 1 2 338.835 3.179 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CCCN(C(=O)OC)CC2)cc1Cl ZINC001341552711 1390500940 /nfs/dbraw/zinc/50/09/40/1390500940.db2.gz HZRPWMCPOZKSSO-UHFFFAOYSA-N 1 2 338.835 3.179 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)Cc1ccoc1C ZINC001342002045 1390560442 /nfs/dbraw/zinc/56/04/42/1390560442.db2.gz BGNXRMUCSIDWGK-INIZCTEOSA-N 1 2 329.448 3.159 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)Cc1ccoc1C ZINC001342002045 1390560444 /nfs/dbraw/zinc/56/04/44/1390560444.db2.gz BGNXRMUCSIDWGK-INIZCTEOSA-N 1 2 329.448 3.159 20 30 EGEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(CC)CCCC ZINC001342012831 1390561874 /nfs/dbraw/zinc/56/18/74/1390561874.db2.gz LVRXIJDAJFCCCR-IAGOWNOFSA-N 1 2 347.507 3.016 20 30 EGEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(CC)CCCC ZINC001342012831 1390561876 /nfs/dbraw/zinc/56/18/76/1390561876.db2.gz LVRXIJDAJFCCCR-IAGOWNOFSA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCCC(F)(F)C1 ZINC001343929123 1390744718 /nfs/dbraw/zinc/74/47/18/1390744718.db2.gz VLUUFNPBZMJHLN-AWEZNQCLSA-N 1 2 339.434 3.247 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCCC(F)(F)C1 ZINC001343929123 1390744720 /nfs/dbraw/zinc/74/47/20/1390744720.db2.gz VLUUFNPBZMJHLN-AWEZNQCLSA-N 1 2 339.434 3.247 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)C[C@@H]1CCCCO1 ZINC001346627313 1390962895 /nfs/dbraw/zinc/96/28/95/1390962895.db2.gz KYFZYUQNCKTING-IRXDYDNUSA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)C[C@@H]1CCCCO1 ZINC001346627313 1390962896 /nfs/dbraw/zinc/96/28/96/1390962896.db2.gz KYFZYUQNCKTING-IRXDYDNUSA-N 1 2 347.507 3.016 20 30 EGEDLO Cc1cc(C#N)cc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)c1 ZINC001348021351 1391160741 /nfs/dbraw/zinc/16/07/41/1391160741.db2.gz QONBFWGVCINOBG-IBGZPJMESA-N 1 2 334.423 3.255 20 30 EGEDLO Cc1cc(C#N)cc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)c1 ZINC001348021351 1391160745 /nfs/dbraw/zinc/16/07/45/1391160745.db2.gz QONBFWGVCINOBG-IBGZPJMESA-N 1 2 334.423 3.255 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccc(C)nc1C(C)C)C1CC1 ZINC001481180732 1393143171 /nfs/dbraw/zinc/14/31/71/1393143171.db2.gz WUTBOCQEKPFZTC-UHFFFAOYSA-N 1 2 335.879 3.460 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccc(C)nc1C(C)C)C1CC1 ZINC001481180732 1393143172 /nfs/dbraw/zinc/14/31/72/1393143172.db2.gz WUTBOCQEKPFZTC-UHFFFAOYSA-N 1 2 335.879 3.460 20 30 EGEDLO CCC(CC)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001490568529 1394266993 /nfs/dbraw/zinc/26/69/93/1394266993.db2.gz RAAUXHYAACJZJQ-KRWDZBQOSA-N 1 2 331.435 3.214 20 30 EGEDLO CCC(CC)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001490568529 1394266996 /nfs/dbraw/zinc/26/69/96/1394266996.db2.gz RAAUXHYAACJZJQ-KRWDZBQOSA-N 1 2 331.435 3.214 20 30 EGEDLO Cc1cc(C)c(C(=O)NCC[N@@H+](C)Cc2cc(C#N)ccc2F)s1 ZINC001492261392 1396317193 /nfs/dbraw/zinc/31/71/93/1396317193.db2.gz ASIZPIQCUXYMTQ-UHFFFAOYSA-N 1 2 345.443 3.238 20 30 EGEDLO Cc1cc(C)c(C(=O)NCC[N@H+](C)Cc2cc(C#N)ccc2F)s1 ZINC001492261392 1396317194 /nfs/dbraw/zinc/31/71/94/1396317194.db2.gz ASIZPIQCUXYMTQ-UHFFFAOYSA-N 1 2 345.443 3.238 20 30 EGEDLO CCC[C@H](C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F)C(C)C ZINC001492442610 1396322410 /nfs/dbraw/zinc/32/24/10/1396322410.db2.gz SAWDVVJOTTUOAK-KRWDZBQOSA-N 1 2 333.451 3.318 20 30 EGEDLO CCC[C@H](C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F)C(C)C ZINC001492442610 1396322411 /nfs/dbraw/zinc/32/24/11/1396322411.db2.gz SAWDVVJOTTUOAK-KRWDZBQOSA-N 1 2 333.451 3.318 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1ccc(C)cc1Cl ZINC001498325672 1396965168 /nfs/dbraw/zinc/96/51/68/1396965168.db2.gz XPWVSSVONHZIGI-ZDUSSCGKSA-N 1 2 329.271 3.380 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1ccc(C)cc1Cl ZINC001498325672 1396965171 /nfs/dbraw/zinc/96/51/71/1396965171.db2.gz XPWVSSVONHZIGI-ZDUSSCGKSA-N 1 2 329.271 3.380 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H]1CNC(=O)C1(F)CCCCC1 ZINC001691102059 1405040495 /nfs/dbraw/zinc/04/04/95/1405040495.db2.gz AQWJZHXZECOONL-SFHVURJKSA-N 1 2 343.446 3.311 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1CNC(=O)C1(F)CCCCC1 ZINC001691102059 1405040497 /nfs/dbraw/zinc/04/04/97/1405040497.db2.gz AQWJZHXZECOONL-SFHVURJKSA-N 1 2 343.446 3.311 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2ccc3cc[nH]c3n2)C1 ZINC001691853339 1405568922 /nfs/dbraw/zinc/56/89/22/1405568922.db2.gz UZMKGBVWEBYJBK-HNNXBMFYSA-N 1 2 346.862 3.242 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccc3cc[nH]c3n2)C1 ZINC001691853339 1405568925 /nfs/dbraw/zinc/56/89/25/1405568925.db2.gz UZMKGBVWEBYJBK-HNNXBMFYSA-N 1 2 346.862 3.242 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cc(F)cc2cccnc21 ZINC001731813759 1428002664 /nfs/dbraw/zinc/00/26/64/1428002664.db2.gz YCPVQGHONPIBTH-UHFFFAOYSA-N 1 2 335.810 3.178 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cc(F)cc2cccnc21 ZINC001731813759 1428002667 /nfs/dbraw/zinc/00/26/67/1428002667.db2.gz YCPVQGHONPIBTH-UHFFFAOYSA-N 1 2 335.810 3.178 20 30 EGEDLO C[C@@H](C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1)C1CCCC1 ZINC001692344221 1405962920 /nfs/dbraw/zinc/96/29/20/1405962920.db2.gz OTDFMGXSICXWRR-CQSZACIVSA-N 1 2 343.446 3.072 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2(c3ccccc3F)CCC2)C1 ZINC001692344338 1405963487 /nfs/dbraw/zinc/96/34/87/1405963487.db2.gz RKGDESVUWCXVHW-UHFFFAOYSA-N 1 2 336.838 3.048 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@]2(c3ccccc3)CC2(C)C)C1 ZINC001732136328 1428382316 /nfs/dbraw/zinc/38/23/16/1428382316.db2.gz SCYSNELASUFOLN-IBGZPJMESA-N 1 2 332.875 3.155 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)CCC2(C)CC2)C1 ZINC001713397599 1418016306 /nfs/dbraw/zinc/01/63/06/1418016306.db2.gz LNTCPJSCDZIWKM-AWEZNQCLSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)CCC2(C)CC2)C1 ZINC001713397599 1418016311 /nfs/dbraw/zinc/01/63/11/1418016311.db2.gz LNTCPJSCDZIWKM-AWEZNQCLSA-N 1 2 343.309 3.398 20 30 EGEDLO Cc1ccc(C)c(C(=O)NCC[N@@H+](C)Cc2ccc(C#N)cc2F)c1 ZINC001713474727 1418153362 /nfs/dbraw/zinc/15/33/62/1418153362.db2.gz BKZAELAPGFOBJR-UHFFFAOYSA-N 1 2 339.414 3.176 20 30 EGEDLO Cc1ccc(C)c(C(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2F)c1 ZINC001713474727 1418153374 /nfs/dbraw/zinc/15/33/74/1418153374.db2.gz BKZAELAPGFOBJR-UHFFFAOYSA-N 1 2 339.414 3.176 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cn1cc(C)c2ccccc21 ZINC001714594764 1419345147 /nfs/dbraw/zinc/34/51/47/1419345147.db2.gz VQMYFLPDKUJZGP-UHFFFAOYSA-N 1 2 333.863 3.140 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cn1cc(C)c2ccccc21 ZINC001714594764 1419345150 /nfs/dbraw/zinc/34/51/50/1419345150.db2.gz VQMYFLPDKUJZGP-UHFFFAOYSA-N 1 2 333.863 3.140 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2ncc(F)cc2F)C1 ZINC001714855476 1419571037 /nfs/dbraw/zinc/57/10/37/1419571037.db2.gz KBDCQSWJUIIRFZ-ZDUSSCGKSA-N 1 2 343.805 3.039 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2ncc(F)cc2F)C1 ZINC001714855476 1419571041 /nfs/dbraw/zinc/57/10/41/1419571041.db2.gz KBDCQSWJUIIRFZ-ZDUSSCGKSA-N 1 2 343.805 3.039 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1csc2c1CCCC2 ZINC001716504544 1420735150 /nfs/dbraw/zinc/73/51/50/1420735150.db2.gz OOIWOOGXJPVMSN-GFCCVEGCSA-N 1 2 326.893 3.430 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1csc2c1CCCC2 ZINC001716504544 1420735154 /nfs/dbraw/zinc/73/51/54/1420735154.db2.gz OOIWOOGXJPVMSN-GFCCVEGCSA-N 1 2 326.893 3.430 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@](C)(CNC(=O)CC(C)C)C1 ZINC001716891058 1421015890 /nfs/dbraw/zinc/01/58/90/1421015890.db2.gz HZRCTYZZGZAEDB-OAHLLOKOSA-N 1 2 331.298 3.159 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@](C)(CNC(=O)CC(C)C)C1 ZINC001716891058 1421015892 /nfs/dbraw/zinc/01/58/92/1421015892.db2.gz HZRCTYZZGZAEDB-OAHLLOKOSA-N 1 2 331.298 3.159 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1sc(C2CC2)nc1C ZINC001734032821 1437820786 /nfs/dbraw/zinc/82/07/86/1437820786.db2.gz BGSYIUCAPXSPKT-SNVBAGLBSA-N 1 2 327.881 3.132 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1sc(C2CC2)nc1C ZINC001734032821 1437820787 /nfs/dbraw/zinc/82/07/87/1437820787.db2.gz BGSYIUCAPXSPKT-SNVBAGLBSA-N 1 2 327.881 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCc1ncc(C(C)(C)C)o1 ZINC001734040473 1437829175 /nfs/dbraw/zinc/82/91/75/1437829175.db2.gz GULXSRNAPDPJFI-ZDUSSCGKSA-N 1 2 341.883 3.094 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCc1ncc(C(C)(C)C)o1 ZINC001734040473 1437829177 /nfs/dbraw/zinc/82/91/77/1437829177.db2.gz GULXSRNAPDPJFI-ZDUSSCGKSA-N 1 2 341.883 3.094 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC[N@H+](C)Cc1ncc(Cl)s1 ZINC001752055724 1440136405 /nfs/dbraw/zinc/13/64/05/1440136405.db2.gz GUEHMKLTYWTXCA-OAHLLOKOSA-N 1 2 329.897 3.337 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC[N@@H+](C)Cc1ncc(Cl)s1 ZINC001752055724 1440136406 /nfs/dbraw/zinc/13/64/06/1440136406.db2.gz GUEHMKLTYWTXCA-OAHLLOKOSA-N 1 2 329.897 3.337 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[N@@H+](Cc2nc(C)sc2C)C1 ZINC001752395535 1440173652 /nfs/dbraw/zinc/17/36/52/1440173652.db2.gz JVRAVNIUDVYOJU-MRXNPFEDSA-N 1 2 333.501 3.034 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[N@H+](Cc2nc(C)sc2C)C1 ZINC001752395535 1440173653 /nfs/dbraw/zinc/17/36/53/1440173653.db2.gz JVRAVNIUDVYOJU-MRXNPFEDSA-N 1 2 333.501 3.034 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CCc1ccc(F)cc1 ZINC001752535487 1440194171 /nfs/dbraw/zinc/19/41/71/1440194171.db2.gz FXUVKAXGOZVFLZ-AHRSYUTCSA-N 1 2 342.458 3.093 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CCc1ccc(F)cc1 ZINC001752535487 1440194172 /nfs/dbraw/zinc/19/41/72/1440194172.db2.gz FXUVKAXGOZVFLZ-AHRSYUTCSA-N 1 2 342.458 3.093 20 30 EGEDLO CC(C)c1ocnc1C[N@@H+]1CCCC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001752818485 1440219264 /nfs/dbraw/zinc/21/92/64/1440219264.db2.gz DBYSZHAIPPWOLW-MRXNPFEDSA-N 1 2 345.487 3.318 20 30 EGEDLO CC(C)c1ocnc1C[N@H+]1CCCC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001752818485 1440219265 /nfs/dbraw/zinc/21/92/65/1440219265.db2.gz DBYSZHAIPPWOLW-MRXNPFEDSA-N 1 2 345.487 3.318 20 30 EGEDLO C=CCC1(C(=O)NC[C@H](C)[NH2+][C@@H](C)c2nnc(CC)o2)CCCCC1 ZINC001752921556 1440248816 /nfs/dbraw/zinc/24/88/16/1440248816.db2.gz UEHGQMRVQLSZPQ-GJZGRUSLSA-N 1 2 348.491 3.314 20 30 EGEDLO C=CCCC(=O)N1CCC[C@@H]([N@@H+](C)[C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC001752988460 1440258844 /nfs/dbraw/zinc/25/88/44/1440258844.db2.gz LOUPPXOTCLWWJM-HUUCEWRRSA-N 1 2 348.491 3.317 20 30 EGEDLO C=CCCC(=O)N1CCC[C@@H]([N@H+](C)[C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC001752988460 1440258845 /nfs/dbraw/zinc/25/88/45/1440258845.db2.gz LOUPPXOTCLWWJM-HUUCEWRRSA-N 1 2 348.491 3.317 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnc(C(C)(C)C)s1 ZINC001753094767 1440301602 /nfs/dbraw/zinc/30/16/02/1440301602.db2.gz IILHECCCQFRHDX-UHFFFAOYSA-N 1 2 329.897 3.245 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnc(C(C)(C)C)s1 ZINC001753094767 1440301603 /nfs/dbraw/zinc/30/16/03/1440301603.db2.gz IILHECCCQFRHDX-UHFFFAOYSA-N 1 2 329.897 3.245 20 30 EGEDLO C#CCCOc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(=C)Cl)cc1 ZINC001753102378 1440304738 /nfs/dbraw/zinc/30/47/38/1440304738.db2.gz IPDWJSZIBBILOZ-QGZVFWFLSA-N 1 2 346.858 3.035 20 30 EGEDLO C#CCCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=C)Cl)cc1 ZINC001753102378 1440304739 /nfs/dbraw/zinc/30/47/39/1440304739.db2.gz IPDWJSZIBBILOZ-QGZVFWFLSA-N 1 2 346.858 3.035 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001753105893 1440306347 /nfs/dbraw/zinc/30/63/47/1440306347.db2.gz JMMGQRMTAQGGJA-SFHVURJKSA-N 1 2 329.419 3.134 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001753105893 1440306348 /nfs/dbraw/zinc/30/63/48/1440306348.db2.gz JMMGQRMTAQGGJA-SFHVURJKSA-N 1 2 329.419 3.134 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1CC[N@H+](Cc2nc(C3CCCC3)no2)C1 ZINC001753133867 1440317883 /nfs/dbraw/zinc/31/78/83/1440317883.db2.gz QOIAOSMUAUZDNT-OAHLLOKOSA-N 1 2 346.475 3.022 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1CC[N@@H+](Cc2nc(C3CCCC3)no2)C1 ZINC001753133867 1440317884 /nfs/dbraw/zinc/31/78/84/1440317884.db2.gz QOIAOSMUAUZDNT-OAHLLOKOSA-N 1 2 346.475 3.022 20 30 EGEDLO CC(C)(C)CC(=O)NCC[N@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001753150289 1440327465 /nfs/dbraw/zinc/32/74/65/1440327465.db2.gz BUHAGHVRRVJTFA-UHFFFAOYSA-N 1 2 331.435 3.214 20 30 EGEDLO CC(C)(C)CC(=O)NCC[N@@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001753150289 1440327466 /nfs/dbraw/zinc/32/74/66/1440327466.db2.gz BUHAGHVRRVJTFA-UHFFFAOYSA-N 1 2 331.435 3.214 20 30 EGEDLO C=CCC(C)(C)C(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1 ZINC001753160656 1440333669 /nfs/dbraw/zinc/33/36/69/1440333669.db2.gz WRFBMCNRCCCQPM-UHFFFAOYSA-N 1 2 325.456 3.241 20 30 EGEDLO C=CCC(C)(C)C(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1 ZINC001753160656 1440333670 /nfs/dbraw/zinc/33/36/70/1440333670.db2.gz WRFBMCNRCCCQPM-UHFFFAOYSA-N 1 2 325.456 3.241 20 30 EGEDLO C[C@@H]1CC[C@@H](C(=O)NCC[N@H+](Cc2cc(C#N)ccc2F)C2CC2)C1 ZINC001753160985 1440333719 /nfs/dbraw/zinc/33/37/19/1440333719.db2.gz ITORLTVYLXPVOH-GDBMZVCRSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@@H]1CC[C@@H](C(=O)NCC[N@@H+](Cc2cc(C#N)ccc2F)C2CC2)C1 ZINC001753160985 1440333720 /nfs/dbraw/zinc/33/37/20/1440333720.db2.gz ITORLTVYLXPVOH-GDBMZVCRSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1cnc(C)cn1 ZINC001753307842 1440355775 /nfs/dbraw/zinc/35/57/75/1440355775.db2.gz LYIYYBGUOPYHMW-XLAORIBOSA-N 1 2 342.487 3.124 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1cnc(C)cn1 ZINC001753307842 1440355776 /nfs/dbraw/zinc/35/57/76/1440355776.db2.gz LYIYYBGUOPYHMW-XLAORIBOSA-N 1 2 342.487 3.124 20 30 EGEDLO CC#CCCCC(=O)NC1C[NH+](Cc2ccc(CC(C)C)cc2)C1 ZINC001753385377 1440388311 /nfs/dbraw/zinc/38/83/11/1440388311.db2.gz RZQISLWBNXKYOR-UHFFFAOYSA-N 1 2 326.484 3.379 20 30 EGEDLO C=CC(C)(C)CC(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001753404603 1440391726 /nfs/dbraw/zinc/39/17/26/1440391726.db2.gz LUHPAYWDOYROSM-UHFFFAOYSA-N 1 2 344.886 3.342 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC2(C[NH+](Cc3ncc(C)s3)C2)CC1 ZINC001753674679 1440463073 /nfs/dbraw/zinc/46/30/73/1440463073.db2.gz BPFZEGOJXXCLTD-INIZCTEOSA-N 1 2 347.528 3.478 20 30 EGEDLO C#CCC1(C(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)c2ncc(C)o2)CCCCC1 ZINC001754336239 1440586709 /nfs/dbraw/zinc/58/67/09/1440586709.db2.gz KIRYNOZXWYKDQB-RDJZCZTQSA-N 1 2 345.487 3.454 20 30 EGEDLO C#CCC1(C(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)c2ncc(C)o2)CCCCC1 ZINC001754336239 1440586710 /nfs/dbraw/zinc/58/67/10/1440586710.db2.gz KIRYNOZXWYKDQB-RDJZCZTQSA-N 1 2 345.487 3.454 20 30 EGEDLO C=CCC1(C(=O)N(C)CCC[NH2+]Cc2noc(C(C)(C)C)n2)CCC1 ZINC001754394378 1440594478 /nfs/dbraw/zinc/59/44/78/1440594478.db2.gz YSMMHAWCFDPNCP-UHFFFAOYSA-N 1 2 348.491 3.052 20 30 EGEDLO CC(C)CCCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001754495331 1440612030 /nfs/dbraw/zinc/61/20/30/1440612030.db2.gz JGLKHBMESKQNDP-KRWDZBQOSA-N 1 2 331.435 3.214 20 30 EGEDLO CC(C)CCCC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001754495331 1440612031 /nfs/dbraw/zinc/61/20/31/1440612031.db2.gz JGLKHBMESKQNDP-KRWDZBQOSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C(C)[C@H](CC(=O)N(C)C1C[NH+](Cc2cc(F)ccc2C)C1)OCC ZINC001754576617 1440637686 /nfs/dbraw/zinc/63/76/86/1440637686.db2.gz RVWFDNZFIQQTHF-IBGZPJMESA-N 1 2 348.462 3.148 20 30 EGEDLO C#CCN(C(=O)CCC)C1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC001754634323 1440648322 /nfs/dbraw/zinc/64/83/22/1440648322.db2.gz RSUCWKMZNOAPPU-UHFFFAOYSA-N 1 2 339.892 3.023 20 30 EGEDLO C#CCN(C(=O)CCCC=C)C1CC[NH+](Cc2ncc(CC)o2)CC1 ZINC001754639906 1440648995 /nfs/dbraw/zinc/64/89/95/1440648995.db2.gz ADPYCFIXMRHVGF-UHFFFAOYSA-N 1 2 343.471 3.020 20 30 EGEDLO CCCCCCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(C)oc1C ZINC001754964256 1440718191 /nfs/dbraw/zinc/71/81/91/1440718191.db2.gz XPLFNNJYLMGCCD-QGZVFWFLSA-N 1 2 336.476 3.297 20 30 EGEDLO CCCCCCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C)oc1C ZINC001754964256 1440718192 /nfs/dbraw/zinc/71/81/92/1440718192.db2.gz XPLFNNJYLMGCCD-QGZVFWFLSA-N 1 2 336.476 3.297 20 30 EGEDLO C=CCC1(C(=O)NCC2([NH2+]Cc3nc(C(C)C)no3)CCC2)CCC1 ZINC001754985916 1440722774 /nfs/dbraw/zinc/72/27/74/1440722774.db2.gz KKFVPPHVLWOJJU-UHFFFAOYSA-N 1 2 346.475 3.068 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2nnc(CC)[nH]2)CC1 ZINC001755030477 1440731093 /nfs/dbraw/zinc/73/10/93/1440731093.db2.gz ZEZRYNLFZHFYIS-CABCVRRESA-N 1 2 347.507 3.001 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@H+]([C@H](C)c2nnc(CC)[nH]2)CC1 ZINC001755030477 1440731094 /nfs/dbraw/zinc/73/10/94/1440731094.db2.gz ZEZRYNLFZHFYIS-CABCVRRESA-N 1 2 347.507 3.001 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(CC)[nH]2)CC1 ZINC001755030480 1440731167 /nfs/dbraw/zinc/73/11/67/1440731167.db2.gz ZEZRYNLFZHFYIS-LSDHHAIUSA-N 1 2 347.507 3.001 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2nnc(CC)[nH]2)CC1 ZINC001755030480 1440731168 /nfs/dbraw/zinc/73/11/68/1440731168.db2.gz ZEZRYNLFZHFYIS-LSDHHAIUSA-N 1 2 347.507 3.001 20 30 EGEDLO C#CCCCC(=O)NCc1ccc2c(c1)C[N@@H+](Cc1cccnc1)C2 ZINC001755101330 1440752725 /nfs/dbraw/zinc/75/27/25/1440752725.db2.gz ZIMIVAHSKWJHOW-UHFFFAOYSA-N 1 2 333.435 3.017 20 30 EGEDLO C#CCCCC(=O)NCc1ccc2c(c1)C[N@H+](Cc1cccnc1)C2 ZINC001755101330 1440752726 /nfs/dbraw/zinc/75/27/26/1440752726.db2.gz ZIMIVAHSKWJHOW-UHFFFAOYSA-N 1 2 333.435 3.017 20 30 EGEDLO CC(C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001755302156 1440809142 /nfs/dbraw/zinc/80/91/42/1440809142.db2.gz AETGXJJAUGLPQO-CQSZACIVSA-N 1 2 333.451 3.316 20 30 EGEDLO CC(C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001755302156 1440809143 /nfs/dbraw/zinc/80/91/43/1440809143.db2.gz AETGXJJAUGLPQO-CQSZACIVSA-N 1 2 333.451 3.316 20 30 EGEDLO C=C(Br)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)C1CC1 ZINC001755365872 1440834356 /nfs/dbraw/zinc/83/43/56/1440834356.db2.gz WKEBHFFGOWRWIL-ZFWWWQNUSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)C1CC1 ZINC001755365872 1440834357 /nfs/dbraw/zinc/83/43/57/1440834357.db2.gz WKEBHFFGOWRWIL-ZFWWWQNUSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C/C(C)=C/CC(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001755384209 1440840017 /nfs/dbraw/zinc/84/00/17/1440840017.db2.gz MZNKDWRHHMJFBA-JVDKPVQESA-N 1 2 341.430 3.156 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H](C)C1C[NH+](Cc2cccc(Cl)n2)C1 ZINC001755385060 1440840433 /nfs/dbraw/zinc/84/04/33/1440840433.db2.gz YPBMBBBZYXCFNU-KBPBESRZSA-N 1 2 335.879 3.274 20 30 EGEDLO C=CCC(CC=C)C(=O)N1C[C@H]([NH2+]Cc2nc(C(C)C)no2)C[C@@H]1C ZINC001755675388 1440894501 /nfs/dbraw/zinc/89/45/01/1440894501.db2.gz JLGRSPSYUJKPDY-GOEBONIOSA-N 1 2 346.475 3.040 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cncc(F)c2)[C@H]1C ZINC001755721021 1440907357 /nfs/dbraw/zinc/90/73/57/1440907357.db2.gz JEFJBDUNLRGECF-WMLDXEAASA-N 1 2 333.451 3.292 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cncc(F)c2)[C@H]1C ZINC001755721021 1440907358 /nfs/dbraw/zinc/90/73/58/1440907358.db2.gz JEFJBDUNLRGECF-WMLDXEAASA-N 1 2 333.451 3.292 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)CC[C@@H]1CCCCO1)C(C)C ZINC001755815058 1440923042 /nfs/dbraw/zinc/92/30/42/1440923042.db2.gz ZEWUQZPWKZSWDI-INIZCTEOSA-N 1 2 330.900 3.257 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)CC[C@@H]1CCCCO1)C(C)C ZINC001755815058 1440923043 /nfs/dbraw/zinc/92/30/43/1440923043.db2.gz ZEWUQZPWKZSWDI-INIZCTEOSA-N 1 2 330.900 3.257 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)ccc1F ZINC000179512712 233118756 /nfs/dbraw/zinc/11/87/56/233118756.db2.gz PHUZXUSUXHLTGP-AWEZNQCLSA-N 1 2 325.391 3.072 20 30 EGEDLO N#Cc1cc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)ccc1F ZINC000179512712 233118765 /nfs/dbraw/zinc/11/87/65/233118765.db2.gz PHUZXUSUXHLTGP-AWEZNQCLSA-N 1 2 325.391 3.072 20 30 EGEDLO COc1cc(OC)c(C[N@H+](C)Cc2ccc(C#N)cc2)c(OC)c1 ZINC000131191286 223211947 /nfs/dbraw/zinc/21/19/47/223211947.db2.gz SMYWTDRZHAYXJL-UHFFFAOYSA-N 1 2 326.396 3.216 20 30 EGEDLO COc1cc(OC)c(C[N@@H+](C)Cc2ccc(C#N)cc2)c(OC)c1 ZINC000131191286 223211951 /nfs/dbraw/zinc/21/19/51/223211951.db2.gz SMYWTDRZHAYXJL-UHFFFAOYSA-N 1 2 326.396 3.216 20 30 EGEDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1C(F)(F)F ZINC000341990462 296158157 /nfs/dbraw/zinc/15/81/57/296158157.db2.gz CMMXNLPPVKVMBN-BZNIZROVSA-N 1 2 347.340 3.454 20 30 EGEDLO C[C@H](c1cccc(NC(=O)Cc2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000264227583 246212380 /nfs/dbraw/zinc/21/23/80/246212380.db2.gz LPQLFCDKFAFBCW-MRXNPFEDSA-N 1 2 349.434 3.133 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000012535686 258054576 /nfs/dbraw/zinc/05/45/76/258054576.db2.gz DTNHYYNLBMCAKS-QGZVFWFLSA-N 1 2 349.369 3.342 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000186588735 144138275 /nfs/dbraw/zinc/13/82/75/144138275.db2.gz WNGOWANIBFXCIU-UHFFFAOYSA-N 1 2 327.815 3.239 20 30 EGEDLO N#Cc1ccc(F)c(CN2CCc3c([nH+]cn3-c3ccccc3)C2)c1 ZINC000351060048 144253930 /nfs/dbraw/zinc/25/39/30/144253930.db2.gz CVXRBZITDAQRKK-UHFFFAOYSA-N 1 2 332.382 3.441 20 30 EGEDLO N#Cc1ccc(F)cc1CN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000351101142 144255318 /nfs/dbraw/zinc/25/53/18/144255318.db2.gz NUFVDFUYCQPSPC-UHFFFAOYSA-N 1 2 332.382 3.441 20 30 EGEDLO Cc1cc(Cl)cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1 ZINC000351773404 144304197 /nfs/dbraw/zinc/30/41/97/144304197.db2.gz FEAZCQFRNQNHCX-AWEZNQCLSA-N 1 2 341.846 3.021 20 30 EGEDLO Cc1cc(Cl)cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1 ZINC000351773404 144304199 /nfs/dbraw/zinc/30/41/99/144304199.db2.gz FEAZCQFRNQNHCX-AWEZNQCLSA-N 1 2 341.846 3.021 20 30 EGEDLO COc1ccc(CN2CC[NH+](Cc3cc(C#N)cs3)CC2)cc1F ZINC000119923527 152238715 /nfs/dbraw/zinc/23/87/15/152238715.db2.gz GEOSVUOJIMVASA-UHFFFAOYSA-N 1 2 345.443 3.085 20 30 EGEDLO COCC[N@H+](Cc1nccn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000191244614 153183508 /nfs/dbraw/zinc/18/35/08/153183508.db2.gz VGKCTLGTCSFVMJ-UHFFFAOYSA-N 1 2 346.434 3.393 20 30 EGEDLO COCC[N@@H+](Cc1nccn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000191244614 153183515 /nfs/dbraw/zinc/18/35/15/153183515.db2.gz VGKCTLGTCSFVMJ-UHFFFAOYSA-N 1 2 346.434 3.393 20 30 EGEDLO CC1(C)CCC[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000339204221 154753006 /nfs/dbraw/zinc/75/30/06/154753006.db2.gz MZMWDKBAOFYTEV-IBGZPJMESA-N 1 2 339.483 3.419 20 30 EGEDLO N#Cc1cc(N2CC[NH+](Cc3c(F)cccc3Cl)CC2)ccn1 ZINC000339975246 155056598 /nfs/dbraw/zinc/05/65/98/155056598.db2.gz HEINYHLTOBTQSM-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000346963992 156219152 /nfs/dbraw/zinc/21/91/52/156219152.db2.gz BDLJAEXYFPZVGN-QGZVFWFLSA-N 1 2 340.814 3.382 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000346963992 156219157 /nfs/dbraw/zinc/21/91/57/156219157.db2.gz BDLJAEXYFPZVGN-QGZVFWFLSA-N 1 2 340.814 3.382 20 30 EGEDLO COc1cc(C#N)ccc1C[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000337232082 163172427 /nfs/dbraw/zinc/17/24/27/163172427.db2.gz VFHPLSWUTUQFHP-OAHLLOKOSA-N 1 2 334.778 3.183 20 30 EGEDLO N#Cc1cc(F)ccc1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000338330263 163212800 /nfs/dbraw/zinc/21/28/00/163212800.db2.gz CJAQREQYJZALIX-UHFFFAOYSA-N 1 2 349.369 3.264 20 30 EGEDLO CCc1[nH+]c2cc(CNC(=O)c3cc(C#N)c[nH]3)ccc2n1C1CC1 ZINC000338674166 163314608 /nfs/dbraw/zinc/31/46/08/163314608.db2.gz NQOIYFKNMBQSHN-UHFFFAOYSA-N 1 2 333.395 3.063 20 30 EGEDLO CC(C)[C@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)c1[nH]cc[nH+]1 ZINC000338880169 163373335 /nfs/dbraw/zinc/37/33/35/163373335.db2.gz JXHDNAQLTHBUMK-INIZCTEOSA-N 1 2 335.367 3.063 20 30 EGEDLO CN(Cc1cn2ccccc2c1C#N)Cc1[nH+]ccn1CC(F)(F)F ZINC000344140289 164112378 /nfs/dbraw/zinc/11/23/78/164112378.db2.gz RLOCSQZRPWQXNU-UHFFFAOYSA-N 1 2 347.344 3.202 20 30 EGEDLO Cc1oc(C#N)cc1-c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000345983201 164309848 /nfs/dbraw/zinc/30/98/48/164309848.db2.gz KQKOPVTWABUGDF-UHFFFAOYSA-N 1 2 331.335 3.422 20 30 EGEDLO CCn1ncnc1C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000355582374 166251190 /nfs/dbraw/zinc/25/11/90/166251190.db2.gz LNEMVKBHZBPKAD-UHFFFAOYSA-N 1 2 347.422 3.038 20 30 EGEDLO Cc1nc(N2CC[NH+](Cc3cccs3)CC2)c(Cl)cc1C#N ZINC000359849793 167248267 /nfs/dbraw/zinc/24/82/67/167248267.db2.gz YFFMMTIJHFHTBE-UHFFFAOYSA-N 1 2 332.860 3.299 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@H+](CCOc3ccccc3F)CCO2)c1 ZINC000367128621 168182030 /nfs/dbraw/zinc/18/20/30/168182030.db2.gz DLDUORIKYVRFQX-LJQANCHMSA-N 1 2 326.371 3.150 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@@H+](CCOc3ccccc3F)CCO2)c1 ZINC000367128621 168182032 /nfs/dbraw/zinc/18/20/32/168182032.db2.gz DLDUORIKYVRFQX-LJQANCHMSA-N 1 2 326.371 3.150 20 30 EGEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000515114511 269977936 /nfs/dbraw/zinc/97/79/36/269977936.db2.gz WGMFDYVLSCMJOK-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO Cc1ccnc(-c2noc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)n2)c1 ZINC000295439355 270042472 /nfs/dbraw/zinc/04/24/72/270042472.db2.gz GHNKZGOWBQYAPZ-UHFFFAOYSA-N 1 2 345.406 3.476 20 30 EGEDLO Cc1ccnc(-c2noc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)n2)c1 ZINC000295439355 270042473 /nfs/dbraw/zinc/04/24/73/270042473.db2.gz GHNKZGOWBQYAPZ-UHFFFAOYSA-N 1 2 345.406 3.476 20 30 EGEDLO N#Cc1cccc(C[N@@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c1F ZINC000428775103 270050289 /nfs/dbraw/zinc/05/02/89/270050289.db2.gz AULHCBRUPZBRJQ-UHFFFAOYSA-N 1 2 341.361 3.100 20 30 EGEDLO N#Cc1cccc(C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c1F ZINC000428775103 270050290 /nfs/dbraw/zinc/05/02/90/270050290.db2.gz AULHCBRUPZBRJQ-UHFFFAOYSA-N 1 2 341.361 3.100 20 30 EGEDLO CCCCOC1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000435040260 267011370 /nfs/dbraw/zinc/01/13/70/267011370.db2.gz DVJLJCPRYWQBQS-MRXNPFEDSA-N 1 2 347.484 3.006 20 30 EGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nccc(C)c1C#N ZINC000273308627 267016654 /nfs/dbraw/zinc/01/66/54/267016654.db2.gz IGEIDPHYZQACEV-UHFFFAOYSA-N 1 2 335.455 3.400 20 30 EGEDLO CCCc1nc(C)c(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000428448969 267042815 /nfs/dbraw/zinc/04/28/15/267042815.db2.gz SAFLDLJBJBHKFT-UHFFFAOYSA-N 1 2 338.455 3.125 20 30 EGEDLO CCCc1nc(C)c(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000428448969 267042819 /nfs/dbraw/zinc/04/28/19/267042819.db2.gz SAFLDLJBJBHKFT-UHFFFAOYSA-N 1 2 338.455 3.125 20 30 EGEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000273160933 267127254 /nfs/dbraw/zinc/12/72/54/267127254.db2.gz ZCRIZYGNWMKPNQ-KRWDZBQOSA-N 1 2 333.435 3.006 20 30 EGEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(c2ncc(C#N)cc2F)CC1 ZINC000413282019 268002786 /nfs/dbraw/zinc/00/27/86/268002786.db2.gz OMFXVEXAFVBQTC-UHFFFAOYSA-N 1 2 344.821 3.376 20 30 EGEDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)on1 ZINC000441241137 268021084 /nfs/dbraw/zinc/02/10/84/268021084.db2.gz YGKXAZKRQSXHBV-HNNXBMFYSA-N 1 2 335.367 3.242 20 30 EGEDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)on1 ZINC000441241137 268021088 /nfs/dbraw/zinc/02/10/88/268021088.db2.gz YGKXAZKRQSXHBV-HNNXBMFYSA-N 1 2 335.367 3.242 20 30 EGEDLO N#Cc1c(F)cccc1CN(CC[NH+]1CCOCC1)c1ccccc1 ZINC000428247898 268163435 /nfs/dbraw/zinc/16/34/35/268163435.db2.gz PMHYIQKEARCKES-UHFFFAOYSA-N 1 2 339.414 3.036 20 30 EGEDLO N#Cc1ccc(CNc2[nH]c3ccc(Br)cc3[nH+]2)c(F)c1 ZINC000446953855 268224729 /nfs/dbraw/zinc/22/47/29/268224729.db2.gz HRDAHNBXQBDWLT-UHFFFAOYSA-N 1 2 345.175 3.370 20 30 EGEDLO N#Cc1ccc(CNc2[nH]c3cc(Br)ccc3[nH+]2)c(F)c1 ZINC000446953855 268224731 /nfs/dbraw/zinc/22/47/31/268224731.db2.gz HRDAHNBXQBDWLT-UHFFFAOYSA-N 1 2 345.175 3.370 20 30 EGEDLO N#Cc1cccc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000301258652 268261683 /nfs/dbraw/zinc/26/16/83/268261683.db2.gz FFRDQIUJBBYIEZ-UHFFFAOYSA-N 1 2 346.356 3.294 20 30 EGEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000185314078 268265799 /nfs/dbraw/zinc/26/57/99/268265799.db2.gz IJMFDEMUHIRYMP-AWEZNQCLSA-N 1 2 341.361 3.264 20 30 EGEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000185314078 268265801 /nfs/dbraw/zinc/26/58/01/268265801.db2.gz IJMFDEMUHIRYMP-AWEZNQCLSA-N 1 2 341.361 3.264 20 30 EGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000289973823 276427831 /nfs/dbraw/zinc/42/78/31/276427831.db2.gz XOMKONGLUYOPHV-UHFFFAOYSA-N 1 2 343.406 3.400 20 30 EGEDLO Cc1nc2c(s1)[C@H]([N@H+](C)CC(=O)Nc1ccc(C#N)cc1)CCC2 ZINC000111311098 282038485 /nfs/dbraw/zinc/03/84/85/282038485.db2.gz LHLFKWAMIUJLMP-MRXNPFEDSA-N 1 2 340.452 3.271 20 30 EGEDLO Cc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)Nc1ccc(C#N)cc1)CCC2 ZINC000111311098 282038489 /nfs/dbraw/zinc/03/84/89/282038489.db2.gz LHLFKWAMIUJLMP-MRXNPFEDSA-N 1 2 340.452 3.271 20 30 EGEDLO COC(=O)c1cccc(C[NH2+][C@H](C)c2cc(F)ccc2OC)c1C#N ZINC000538166906 314230273 /nfs/dbraw/zinc/23/02/73/314230273.db2.gz FFOCHKKUYNMQOD-GFCCVEGCSA-N 1 2 342.370 3.343 20 30 EGEDLO Cn1cc[nH+]c1[C@H](Nc1cc(C#N)ccc1[N+](=O)[O-])c1ccccc1 ZINC000545926608 314792658 /nfs/dbraw/zinc/79/26/58/314792658.db2.gz HQAXYGFEEOLEGD-QGZVFWFLSA-N 1 2 333.351 3.401 20 30 EGEDLO CC1CCN(c2ccc(CNc3ncc4c(c3C#N)CCC4)c[nH+]2)CC1 ZINC000564876877 316224790 /nfs/dbraw/zinc/22/47/90/316224790.db2.gz VJNGEQRZBSMETO-UHFFFAOYSA-N 1 2 347.466 3.107 20 30 EGEDLO N#Cc1ccncc1N1CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC000572792109 317392258 /nfs/dbraw/zinc/39/22/58/317392258.db2.gz BIYQXGJXKPHXPP-UHFFFAOYSA-N 1 2 328.366 3.213 20 30 EGEDLO Cc1ccccc1N1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000007619628 323211298 /nfs/dbraw/zinc/21/12/98/323211298.db2.gz HXNSBFQIZRRLAD-QGZVFWFLSA-N 1 2 348.450 3.016 20 30 EGEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000578490231 324976699 /nfs/dbraw/zinc/97/66/99/324976699.db2.gz QRQDXCVHTRURSN-PBHICJAKSA-N 1 2 337.427 3.382 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c2[nH+]ccn21 ZINC000578967604 325043553 /nfs/dbraw/zinc/04/35/53/325043553.db2.gz PVYHNDZVIWOMKE-KSSFIOAISA-N 1 2 347.422 3.259 20 30 EGEDLO C=CCCCCNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000472793598 458808359 /nfs/dbraw/zinc/80/83/59/458808359.db2.gz WAVRRJFWCQOPTQ-HNNXBMFYSA-N 1 2 325.403 3.223 20 30 EGEDLO COc1cccc([C@@H](CNCc2ccc(C#N)o2)[NH+]2CCCC2)c1 ZINC000174242004 533717895 /nfs/dbraw/zinc/71/78/95/533717895.db2.gz FCRUZMRLLXZAPT-LJQANCHMSA-N 1 2 325.412 3.087 20 30 EGEDLO C=CCOC[C@H]([NH2+][C@H](C)[C@H](C)c1ccc(Cl)cc1)C(=O)OC ZINC000482438930 459308274 /nfs/dbraw/zinc/30/82/74/459308274.db2.gz NNUQIYCFHAAMQR-ZENOOKHLSA-N 1 2 325.836 3.166 20 30 EGEDLO Cc1ccc(C)c(OCCN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000023257546 453708506 /nfs/dbraw/zinc/70/85/06/453708506.db2.gz BTBSBJOWVDUPPO-UHFFFAOYSA-N 1 2 349.478 3.372 20 30 EGEDLO Cc1cccc(C(=O)N2CCC[N@H+](Cc3ccccc3C#N)CC2)c1 ZINC000029849805 453832098 /nfs/dbraw/zinc/83/20/98/453832098.db2.gz SMYTXWZFKVBPAD-UHFFFAOYSA-N 1 2 333.435 3.215 20 30 EGEDLO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccccc3C#N)CC2)c1 ZINC000029849805 453832099 /nfs/dbraw/zinc/83/20/99/453832099.db2.gz SMYTXWZFKVBPAD-UHFFFAOYSA-N 1 2 333.435 3.215 20 30 EGEDLO C=CCOc1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000030610260 453837039 /nfs/dbraw/zinc/83/70/39/453837039.db2.gz ROCAFJQHTMHOJO-UHFFFAOYSA-N 1 2 337.423 3.177 20 30 EGEDLO C[C@H](c1ccccc1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512346 453880086 /nfs/dbraw/zinc/88/00/86/453880086.db2.gz KTLRGVUIPRJINA-OAHLLOKOSA-N 1 2 328.437 3.025 20 30 EGEDLO C[C@H](c1ccccc1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512346 453880092 /nfs/dbraw/zinc/88/00/92/453880092.db2.gz KTLRGVUIPRJINA-OAHLLOKOSA-N 1 2 328.437 3.025 20 30 EGEDLO C=C(C)COc1cccc(NC(=O)NCc2ccc(N(C)C)[nH+]c2)c1 ZINC000067320426 453920974 /nfs/dbraw/zinc/92/09/74/453920974.db2.gz JSODAQXBVGELMI-UHFFFAOYSA-N 1 2 340.427 3.424 20 30 EGEDLO CCS[C@H]1CCCC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000083189906 453943077 /nfs/dbraw/zinc/94/30/77/453943077.db2.gz YNTVHZJICMCNPQ-IRXDYDNUSA-N 1 2 332.469 3.380 20 30 EGEDLO CCS[C@H]1CCCC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000083189906 453943079 /nfs/dbraw/zinc/94/30/79/453943079.db2.gz YNTVHZJICMCNPQ-IRXDYDNUSA-N 1 2 332.469 3.380 20 30 EGEDLO CC(C)CCO[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000083248016 453946156 /nfs/dbraw/zinc/94/61/56/453946156.db2.gz OTVXDSMJXJIUEN-MRXNPFEDSA-N 1 2 349.862 3.287 20 30 EGEDLO CC(C)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000083248016 453946159 /nfs/dbraw/zinc/94/61/59/453946159.db2.gz OTVXDSMJXJIUEN-MRXNPFEDSA-N 1 2 349.862 3.287 20 30 EGEDLO N#Cc1csc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1 ZINC000084108773 453969559 /nfs/dbraw/zinc/96/95/59/453969559.db2.gz OOEQYHCHWCAIHU-UHFFFAOYSA-N 1 2 340.452 3.325 20 30 EGEDLO CC1CCC(NC(=O)C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000076153048 453972654 /nfs/dbraw/zinc/97/26/54/453972654.db2.gz ZTWVNBWUSSEBIF-QUDVFMAMSA-N 1 2 339.483 3.453 20 30 EGEDLO CC1CCC(NC(=O)C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000076153048 453972659 /nfs/dbraw/zinc/97/26/59/453972659.db2.gz ZTWVNBWUSSEBIF-QUDVFMAMSA-N 1 2 339.483 3.453 20 30 EGEDLO Cc1nnc(N2CCC[C@@H](c3[nH]c4ccccc4[nH+]3)C2)c(C#N)c1C ZINC000043534075 454066734 /nfs/dbraw/zinc/06/67/34/454066734.db2.gz HLJSCRLNVUGMHF-CQSZACIVSA-N 1 2 332.411 3.225 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000070695867 454172155 /nfs/dbraw/zinc/17/21/55/454172155.db2.gz VGNUIUBMGLCLLZ-ZIFCJYIRSA-N 1 2 328.456 3.038 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000070695867 454172158 /nfs/dbraw/zinc/17/21/58/454172158.db2.gz VGNUIUBMGLCLLZ-ZIFCJYIRSA-N 1 2 328.456 3.038 20 30 EGEDLO CSc1cccc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000046519127 454260176 /nfs/dbraw/zinc/26/01/76/454260176.db2.gz BPGLKIUBYKOMNW-UHFFFAOYSA-N 1 2 325.437 3.351 20 30 EGEDLO CSc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000046519127 454260179 /nfs/dbraw/zinc/26/01/79/454260179.db2.gz BPGLKIUBYKOMNW-UHFFFAOYSA-N 1 2 325.437 3.351 20 30 EGEDLO C=CC[NH+](CC=C)CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000071952040 454261231 /nfs/dbraw/zinc/26/12/31/454261231.db2.gz WDMQHBWKQKXQDZ-UHFFFAOYSA-N 1 2 336.819 3.114 20 30 EGEDLO CC[N@H+](Cc1ccc(Cl)s1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000132165351 454318530 /nfs/dbraw/zinc/31/85/30/454318530.db2.gz NNXBRKUSZMMMPQ-HNNXBMFYSA-N 1 2 333.844 3.322 20 30 EGEDLO CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000132165351 454318536 /nfs/dbraw/zinc/31/85/36/454318536.db2.gz NNXBRKUSZMMMPQ-HNNXBMFYSA-N 1 2 333.844 3.322 20 30 EGEDLO C=CC[N@@H+](CCOC)Cc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000191092241 455441522 /nfs/dbraw/zinc/44/15/22/455441522.db2.gz OYEHVESCPNLSQK-LBPRGKRZSA-N 1 2 346.500 3.033 20 30 EGEDLO C=CC[N@H+](CCOC)Cc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000191092241 455441526 /nfs/dbraw/zinc/44/15/26/455441526.db2.gz OYEHVESCPNLSQK-LBPRGKRZSA-N 1 2 346.500 3.033 20 30 EGEDLO CC[C@@H]1C[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)CCS1 ZINC000091071235 454376788 /nfs/dbraw/zinc/37/67/88/454376788.db2.gz XANCRJLTAWABAP-MRXNPFEDSA-N 1 2 326.469 3.380 20 30 EGEDLO CC[C@@H]1C[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)CCS1 ZINC000091071235 454376791 /nfs/dbraw/zinc/37/67/91/454376791.db2.gz XANCRJLTAWABAP-MRXNPFEDSA-N 1 2 326.469 3.380 20 30 EGEDLO C=CC[N@H+](CC(=O)N(C1CC1)C1CCCC1)Cc1cccc(C#N)c1 ZINC000063299803 454403833 /nfs/dbraw/zinc/40/38/33/454403833.db2.gz LNSCNXFOVVJMHH-UHFFFAOYSA-N 1 2 337.467 3.480 20 30 EGEDLO C=CC[N@@H+](CC(=O)N(C1CC1)C1CCCC1)Cc1cccc(C#N)c1 ZINC000063299803 454403834 /nfs/dbraw/zinc/40/38/34/454403834.db2.gz LNSCNXFOVVJMHH-UHFFFAOYSA-N 1 2 337.467 3.480 20 30 EGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000048042066 454433889 /nfs/dbraw/zinc/43/38/89/454433889.db2.gz UUUGHAHCJVIQDZ-UHFFFAOYSA-N 1 2 331.341 3.298 20 30 EGEDLO N#Cc1cc(F)ccc1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000097472664 454436941 /nfs/dbraw/zinc/43/69/41/454436941.db2.gz KBZFFJQGISTXKT-UHFFFAOYSA-N 1 2 349.369 3.264 20 30 EGEDLO Cc1ccc2[nH+]c(CN3CCN([C@@H](C#N)c4ccccc4)CC3)cn2c1 ZINC000121444891 454436993 /nfs/dbraw/zinc/43/69/93/454436993.db2.gz WSNRQWDIEKMAAC-FQEVSTJZSA-N 1 2 345.450 3.025 20 30 EGEDLO CC[N@@H+](CC(=O)NCC1(c2ccc(F)cc2)CCCC1)C[C@@H](C)C#N ZINC000064249053 454470801 /nfs/dbraw/zinc/47/08/01/454470801.db2.gz ICZVFBZKNKQYAW-INIZCTEOSA-N 1 2 345.462 3.235 20 30 EGEDLO CC[N@H+](CC(=O)NCC1(c2ccc(F)cc2)CCCC1)C[C@@H](C)C#N ZINC000064249053 454470805 /nfs/dbraw/zinc/47/08/05/454470805.db2.gz ICZVFBZKNKQYAW-INIZCTEOSA-N 1 2 345.462 3.235 20 30 EGEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2cccc(Cl)c2)cc1C#N ZINC000134963609 454617240 /nfs/dbraw/zinc/61/72/40/454617240.db2.gz MGRWTSNSCZDFSR-UHFFFAOYSA-N 1 2 343.814 3.291 20 30 EGEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2)cc1C#N ZINC000134963609 454617241 /nfs/dbraw/zinc/61/72/41/454617241.db2.gz MGRWTSNSCZDFSR-UHFFFAOYSA-N 1 2 343.814 3.291 20 30 EGEDLO Cc1cccc(NC(=O)N2CC[NH+](Cc3cc(C#N)cs3)CC2)c1 ZINC000092760365 454627433 /nfs/dbraw/zinc/62/74/33/454627433.db2.gz YOHROLNSBWSXSM-UHFFFAOYSA-N 1 2 340.452 3.278 20 30 EGEDLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+](CCC#N)CC(C)(C)C ZINC000093101195 454681485 /nfs/dbraw/zinc/68/14/85/454681485.db2.gz KVWWLQADKNGRNN-UHFFFAOYSA-N 1 2 348.491 3.213 20 30 EGEDLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+](CCC#N)CC(C)(C)C ZINC000093101195 454681487 /nfs/dbraw/zinc/68/14/87/454681487.db2.gz KVWWLQADKNGRNN-UHFFFAOYSA-N 1 2 348.491 3.213 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1nnc(C(C)C)s1)Cc1cccs1 ZINC000136274267 454732162 /nfs/dbraw/zinc/73/21/62/454732162.db2.gz JESIBLAFQXNNON-UHFFFAOYSA-N 1 2 336.486 3.350 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1nnc(C(C)C)s1)Cc1cccs1 ZINC000136274267 454732167 /nfs/dbraw/zinc/73/21/67/454732167.db2.gz JESIBLAFQXNNON-UHFFFAOYSA-N 1 2 336.486 3.350 20 30 EGEDLO C[S@](=O)c1ccc(CNc2[nH+]cccc2OCCCC#N)cc1 ZINC000162237575 454761508 /nfs/dbraw/zinc/76/15/08/454761508.db2.gz ZDPYHJAMMQCAGS-HSZRJFAPSA-N 1 2 329.425 3.114 20 30 EGEDLO CCN(CCC#N)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000138366436 454791619 /nfs/dbraw/zinc/79/16/19/454791619.db2.gz HNMBJMLBCNDCKD-ZDUSSCGKSA-N 1 2 335.477 3.142 20 30 EGEDLO CCN(CCC#N)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000138366436 454791622 /nfs/dbraw/zinc/79/16/22/454791622.db2.gz HNMBJMLBCNDCKD-ZDUSSCGKSA-N 1 2 335.477 3.142 20 30 EGEDLO C=C(C)CN(CC)C(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000154678715 454918322 /nfs/dbraw/zinc/91/83/22/454918322.db2.gz YTNJSBRWGBYKQB-UHFFFAOYSA-N 1 2 339.395 3.237 20 30 EGEDLO C#CCOc1ccc(C[NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)cc1 ZINC000113357118 454924143 /nfs/dbraw/zinc/92/41/43/454924143.db2.gz MQMOFSCMKXMWAT-QGZVFWFLSA-N 1 2 325.412 3.446 20 30 EGEDLO CC(C)[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1cccs1 ZINC000267044875 455497388 /nfs/dbraw/zinc/49/73/88/455497388.db2.gz DUGFVDCTPMGTQV-UHFFFAOYSA-N 1 2 348.493 3.304 20 30 EGEDLO CC(C)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1cccs1 ZINC000267044875 455497391 /nfs/dbraw/zinc/49/73/91/455497391.db2.gz DUGFVDCTPMGTQV-UHFFFAOYSA-N 1 2 348.493 3.304 20 30 EGEDLO C=CCn1c(COc2ccccc2)nnc1SCc1[nH+]ccn1C ZINC000155229531 454977625 /nfs/dbraw/zinc/97/76/25/454977625.db2.gz BRJKIIYUCFZANT-UHFFFAOYSA-N 1 2 341.440 3.069 20 30 EGEDLO COc1cc(OC)c(C[N@H+](C)Cc2cc(C#N)ccc2F)c(OC)c1 ZINC000155402179 454997566 /nfs/dbraw/zinc/99/75/66/454997566.db2.gz ODQYZBJDXYQYEA-UHFFFAOYSA-N 1 2 344.386 3.355 20 30 EGEDLO COc1cc(OC)c(C[N@@H+](C)Cc2cc(C#N)ccc2F)c(OC)c1 ZINC000155402179 454997568 /nfs/dbraw/zinc/99/75/68/454997568.db2.gz ODQYZBJDXYQYEA-UHFFFAOYSA-N 1 2 344.386 3.355 20 30 EGEDLO Cc1occc1C[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000128481372 455060506 /nfs/dbraw/zinc/06/05/06/455060506.db2.gz URHKEBYTVYKVCM-NSHDSACASA-N 1 2 343.452 3.469 20 30 EGEDLO Cc1occc1C[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000128481372 455060511 /nfs/dbraw/zinc/06/05/11/455060511.db2.gz URHKEBYTVYKVCM-NSHDSACASA-N 1 2 343.452 3.469 20 30 EGEDLO Cc1c[nH+]ccc1NC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000179860424 455090176 /nfs/dbraw/zinc/09/01/76/455090176.db2.gz QGUWOPLGQLMMOG-UHFFFAOYSA-N 1 2 335.411 3.006 20 30 EGEDLO N#CCCCOc1cccnc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117658554 455090382 /nfs/dbraw/zinc/09/03/82/455090382.db2.gz DJDPCGPTZKKLSK-UHFFFAOYSA-N 1 2 347.378 3.202 20 30 EGEDLO Cc1ccc2[nH+]c(COc3ccccc3C(=O)NC[C@H](C)C#N)cn2c1 ZINC000171841593 455097771 /nfs/dbraw/zinc/09/77/71/455097771.db2.gz ZHCJVOYIKVVMPN-OAHLLOKOSA-N 1 2 348.406 3.111 20 30 EGEDLO COc1cc(/C=C/C(=O)Nc2ccc(C)[nH+]c2C)ccc1OCC#N ZINC000119155434 455129365 /nfs/dbraw/zinc/12/93/65/455129365.db2.gz IFVCYZGUJGKKLZ-RMKNXTFCSA-N 1 2 337.379 3.261 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CC1(c2ccccc2)CC1 ZINC000189306943 455174508 /nfs/dbraw/zinc/17/45/08/455174508.db2.gz SEBLDDWALIGUJE-IBGZPJMESA-N 1 2 334.419 3.436 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000189306943 455174513 /nfs/dbraw/zinc/17/45/13/455174513.db2.gz SEBLDDWALIGUJE-IBGZPJMESA-N 1 2 334.419 3.436 20 30 EGEDLO COc1ccc(C(C)(C)C/[NH+]=C/c2ccc(O)c(O)c2O)cc1OC ZINC000264355438 455198346 /nfs/dbraw/zinc/19/83/46/455198346.db2.gz IDSWHTDNSJYLHP-KEBDBYFISA-N 1 2 345.395 3.217 20 30 EGEDLO C=C(C)COc1cc(C[NH2+]C(C)(C)c2noc(C)n2)ccc1OC ZINC000264370322 455199973 /nfs/dbraw/zinc/19/99/73/455199973.db2.gz HOYXWZYSZSDAGK-UHFFFAOYSA-N 1 2 331.416 3.366 20 30 EGEDLO CCOC(=O)CC[N@H+](Cc1cccnc1)Cc1ccc(C#N)cc1F ZINC000180595627 455204629 /nfs/dbraw/zinc/20/46/29/455204629.db2.gz OLRFQSRGYSIIOX-UHFFFAOYSA-N 1 2 341.386 3.048 20 30 EGEDLO CCOC(=O)CC[N@@H+](Cc1cccnc1)Cc1ccc(C#N)cc1F ZINC000180595627 455204633 /nfs/dbraw/zinc/20/46/33/455204633.db2.gz OLRFQSRGYSIIOX-UHFFFAOYSA-N 1 2 341.386 3.048 20 30 EGEDLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cs1 ZINC000184698903 455429936 /nfs/dbraw/zinc/42/99/36/455429936.db2.gz SPMBUEVSJNMMRZ-GHMZBOCLSA-N 1 2 346.456 3.465 20 30 EGEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000191128734 455449200 /nfs/dbraw/zinc/44/92/00/455449200.db2.gz ZVADLFIJFSXWIL-NSHDSACASA-N 1 2 331.243 3.455 20 30 EGEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000191128734 455449202 /nfs/dbraw/zinc/44/92/02/455449202.db2.gz ZVADLFIJFSXWIL-NSHDSACASA-N 1 2 331.243 3.455 20 30 EGEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000266881658 455467617 /nfs/dbraw/zinc/46/76/17/455467617.db2.gz XRMKZDFWJPVRFC-QGZVFWFLSA-N 1 2 326.444 3.056 20 30 EGEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000266881658 455467623 /nfs/dbraw/zinc/46/76/23/455467623.db2.gz XRMKZDFWJPVRFC-QGZVFWFLSA-N 1 2 326.444 3.056 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000185031031 455489201 /nfs/dbraw/zinc/48/92/01/455489201.db2.gz BMTVYULJPMWKDH-OAHLLOKOSA-N 1 2 334.435 3.081 20 30 EGEDLO CC[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000161004265 455523449 /nfs/dbraw/zinc/52/34/49/455523449.db2.gz ANHZWNVPAONGPT-SJORKVTESA-N 1 2 329.350 3.104 20 30 EGEDLO O=C(Oc1ccccc1)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000192025160 455544620 /nfs/dbraw/zinc/54/46/20/455544620.db2.gz NPSDQJKYFZJEBM-UHFFFAOYSA-N 1 2 334.419 3.245 20 30 EGEDLO O=C(Oc1ccccc1)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000192025160 455544623 /nfs/dbraw/zinc/54/46/23/455544623.db2.gz NPSDQJKYFZJEBM-UHFFFAOYSA-N 1 2 334.419 3.245 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000292306033 455624590 /nfs/dbraw/zinc/62/45/90/455624590.db2.gz QGZROLODPCTZHX-SFHVURJKSA-N 1 2 330.472 3.087 20 30 EGEDLO CC[C@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@@H](C)O1 ZINC000247675492 455636833 /nfs/dbraw/zinc/63/68/33/455636833.db2.gz QWBVWRQWUGTTGV-AEFFLSMTSA-N 1 2 343.471 3.049 20 30 EGEDLO CC[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@@H](C)O1 ZINC000247675492 455636844 /nfs/dbraw/zinc/63/68/44/455636844.db2.gz QWBVWRQWUGTTGV-AEFFLSMTSA-N 1 2 343.471 3.049 20 30 EGEDLO N#CCN1CC[NH+](Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000284518986 455699819 /nfs/dbraw/zinc/69/98/19/455699819.db2.gz YYNPTDLIUIVATC-UHFFFAOYSA-N 1 2 332.860 3.105 20 30 EGEDLO C=CCn1c(SCc2cc[nH+]c(N)c2)nnc1-c1ccoc1C ZINC000193061053 455740396 /nfs/dbraw/zinc/74/03/96/455740396.db2.gz KVXYZXNVPGWZTQ-UHFFFAOYSA-N 1 2 327.413 3.302 20 30 EGEDLO CC#CC[N@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000292976760 455769137 /nfs/dbraw/zinc/76/91/37/455769137.db2.gz AZSWKHYEZGMIII-GOSISDBHSA-N 1 2 330.428 3.048 20 30 EGEDLO CC#CC[N@@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000292976760 455769143 /nfs/dbraw/zinc/76/91/43/455769143.db2.gz AZSWKHYEZGMIII-GOSISDBHSA-N 1 2 330.428 3.048 20 30 EGEDLO CCCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000186447346 455770631 /nfs/dbraw/zinc/77/06/31/455770631.db2.gz PSMFPIUMPCRWAA-UHFFFAOYSA-N 1 2 333.863 3.340 20 30 EGEDLO C=CCOCC[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000293546555 455789838 /nfs/dbraw/zinc/78/98/38/455789838.db2.gz QTBGLWQLCXDILJ-OAHLLOKOSA-N 1 2 326.234 3.025 20 30 EGEDLO C=CCOCC[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000293546555 455789840 /nfs/dbraw/zinc/78/98/40/455789840.db2.gz QTBGLWQLCXDILJ-OAHLLOKOSA-N 1 2 326.234 3.025 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000285322822 455823867 /nfs/dbraw/zinc/82/38/67/455823867.db2.gz NFTCEXUFBZSHDP-HNNXBMFYSA-N 1 2 327.428 3.100 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC=C(c2ccco2)C1 ZINC000285322822 455823872 /nfs/dbraw/zinc/82/38/72/455823872.db2.gz NFTCEXUFBZSHDP-HNNXBMFYSA-N 1 2 327.428 3.100 20 30 EGEDLO C=C(Br)C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186946385 455855051 /nfs/dbraw/zinc/85/50/51/455855051.db2.gz RHQLSMYDWWJVRO-UHFFFAOYSA-N 1 2 328.225 3.104 20 30 EGEDLO C=C(C)[C@@H](CC(=O)NCCCn1c(C)[nH+]c2ccccc21)OCC ZINC000270026030 455859874 /nfs/dbraw/zinc/85/98/74/455859874.db2.gz KDCFOVRWRWUAOT-GOSISDBHSA-N 1 2 329.444 3.222 20 30 EGEDLO C=C(C)[C@H](CC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F)OCC ZINC000270042979 455863537 /nfs/dbraw/zinc/86/35/37/455863537.db2.gz OYPMRSWQKTVGBQ-WMZOPIPTSA-N 1 2 345.418 3.136 20 30 EGEDLO COc1cccc(/C=[NH+]\C[C@@H]2CCCN2C(=O)OC(C)(C)C)c1O ZINC000255328720 455865144 /nfs/dbraw/zinc/86/51/44/455865144.db2.gz LLESXSXMBWJZRY-KVMVOAJRSA-N 1 2 334.416 3.219 20 30 EGEDLO CCCCCCCCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000270066071 455869998 /nfs/dbraw/zinc/86/99/98/455869998.db2.gz HNFHEDKYDGAPRZ-UHFFFAOYSA-N 1 2 342.443 3.288 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(C(=O)OC(C)C)cc2)n1 ZINC000279788167 455874066 /nfs/dbraw/zinc/87/40/66/455874066.db2.gz VGKJJEAMKRJHKX-UHFFFAOYSA-N 1 2 339.439 3.104 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(C(=O)OC(C)C)cc2)n1 ZINC000279788167 455874073 /nfs/dbraw/zinc/87/40/73/455874073.db2.gz VGKJJEAMKRJHKX-UHFFFAOYSA-N 1 2 339.439 3.104 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCC(C(C)(C)C)CC1)[NH+]1CCSCC1 ZINC000187298152 455891518 /nfs/dbraw/zinc/89/15/18/455891518.db2.gz DAEPMCJNBGOLDF-KSTDHSDQSA-N 1 2 337.533 3.039 20 30 EGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1 ZINC000296298692 455903245 /nfs/dbraw/zinc/90/32/45/455903245.db2.gz MMRFLTORHYJJMQ-KXBFYZLASA-N 1 2 343.496 3.427 20 30 EGEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000195042986 455916571 /nfs/dbraw/zinc/91/65/71/455916571.db2.gz CKYCWWCGBCJQEA-QGZVFWFLSA-N 1 2 327.453 3.023 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](CCc3c(F)cccc3Cl)CC2)nc1 ZINC000195199309 455932477 /nfs/dbraw/zinc/93/24/77/455932477.db2.gz BEKZZHUWYLCBAP-UHFFFAOYSA-N 1 2 344.821 3.110 20 30 EGEDLO C#CC[C@H](NC(=O)NCCCCNc1cccc[nH+]1)c1ccccc1 ZINC000270382407 455943234 /nfs/dbraw/zinc/94/32/34/455943234.db2.gz GILZTQIAOHCING-SFHVURJKSA-N 1 2 336.439 3.338 20 30 EGEDLO N#CCc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1 ZINC000270462464 455961322 /nfs/dbraw/zinc/96/13/22/455961322.db2.gz XDCMZFTUDQZCON-UHFFFAOYSA-N 1 2 348.450 3.458 20 30 EGEDLO COc1ccc(C[C@H](C)C/[NH+]=C/c2ccc(O)c(O)c2O)cc1OC ZINC000270666182 456010105 /nfs/dbraw/zinc/01/01/05/456010105.db2.gz QACUOTBIMKUYBZ-DQAKUKQTSA-N 1 2 345.395 3.118 20 30 EGEDLO N#CC1CCN(c2cc(N3CCC(C#N)CC3)c3ccncc3[nH+]2)CC1 ZINC000286329985 456026059 /nfs/dbraw/zinc/02/60/59/456026059.db2.gz QIDWYSZWKBEIBF-UHFFFAOYSA-N 1 2 346.438 3.110 20 30 EGEDLO C#CCN(Cc1ccccc1)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000286919682 456056670 /nfs/dbraw/zinc/05/66/70/456056670.db2.gz BBIAQDCLTZYMHN-UHFFFAOYSA-N 1 2 348.450 3.027 20 30 EGEDLO CC(C)Oc1cc[nH+]cc1COC(=O)Cc1ccc(OCC#N)cc1 ZINC000287032841 456059507 /nfs/dbraw/zinc/05/95/07/456059507.db2.gz RPTKSERTHRFQIE-UHFFFAOYSA-N 1 2 340.379 3.057 20 30 EGEDLO Cn1ncc(Cl)c1C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000289271892 456119073 /nfs/dbraw/zinc/11/90/73/456119073.db2.gz GKARCPGFSSUHMF-UHFFFAOYSA-N 1 2 348.809 3.128 20 30 EGEDLO O=C(CCCC/[NH+]=C/c1ccc(O)c(O)c1O)OCc1ccccc1 ZINC000273014058 456145377 /nfs/dbraw/zinc/14/53/77/456145377.db2.gz WASLFKGEGSLFSV-UDWIEESQSA-N 1 2 343.379 3.136 20 30 EGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cccc(F)c2C#N)CC1 ZINC000189115670 456231242 /nfs/dbraw/zinc/23/12/42/456231242.db2.gz RZVGQTFPGHSJPU-CYBMUJFWSA-N 1 2 343.427 3.278 20 30 EGEDLO CCN(CC)c1ccc(/C=[NH+]/[C@@H](CC(F)(F)F)C(=O)OC)c(O)c1 ZINC000274066969 456250067 /nfs/dbraw/zinc/25/00/67/456250067.db2.gz JXEHUIKQAGAREP-NPNVKNKFSA-N 1 2 346.349 3.151 20 30 EGEDLO C=CCn1c(C)nnc1N1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000290151190 456253974 /nfs/dbraw/zinc/25/39/74/456253974.db2.gz HYTSVPLVUHKAEB-UHFFFAOYSA-N 1 2 336.443 3.272 20 30 EGEDLO Cc1[nH]c2ccc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2[nH+]1 ZINC000340152955 456282746 /nfs/dbraw/zinc/28/27/46/456282746.db2.gz NTUABSZIOYPIEN-UHFFFAOYSA-N 1 2 346.799 3.197 20 30 EGEDLO COc1cc(C[NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)ccc1C#N ZINC000281722839 456300849 /nfs/dbraw/zinc/30/08/49/456300849.db2.gz PHGULZBECRYPST-MRXNPFEDSA-N 1 2 326.400 3.314 20 30 EGEDLO N#Cc1cc(F)ccc1N1CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC000302189429 456310514 /nfs/dbraw/zinc/31/05/14/456310514.db2.gz VEKSAGRJZBWWNU-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000352802090 456322248 /nfs/dbraw/zinc/32/22/48/456322248.db2.gz LIPWUPBXOOMLLP-YESZJQIVSA-N 1 2 348.487 3.043 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000352802090 456322251 /nfs/dbraw/zinc/32/22/51/456322251.db2.gz LIPWUPBXOOMLLP-YESZJQIVSA-N 1 2 348.487 3.043 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)N[C@@H](C)c1ccccc1)Cc1ccc(CO)o1 ZINC000352813680 456329745 /nfs/dbraw/zinc/32/97/45/456329745.db2.gz CNQOJEQECBYQSW-INIZCTEOSA-N 1 2 342.439 3.027 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)N[C@@H](C)c1ccccc1)Cc1ccc(CO)o1 ZINC000352813680 456329750 /nfs/dbraw/zinc/32/97/50/456329750.db2.gz CNQOJEQECBYQSW-INIZCTEOSA-N 1 2 342.439 3.027 20 30 EGEDLO CC[N@H+](Cc1cccc(C#N)c1F)[C@@H]1CCN(c2ccccc2)C1=O ZINC000352872441 456379597 /nfs/dbraw/zinc/37/95/97/456379597.db2.gz DOJYUAGBSKHOBG-GOSISDBHSA-N 1 2 337.398 3.325 20 30 EGEDLO CC[N@@H+](Cc1cccc(C#N)c1F)[C@@H]1CCN(c2ccccc2)C1=O ZINC000352872441 456379605 /nfs/dbraw/zinc/37/96/05/456379605.db2.gz DOJYUAGBSKHOBG-GOSISDBHSA-N 1 2 337.398 3.325 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C(=O)OC)o1 ZINC000352900777 456399982 /nfs/dbraw/zinc/39/99/82/456399982.db2.gz HZPAHXDQXBYOCF-UHFFFAOYSA-N 1 2 331.416 3.422 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C(=O)OC)o1 ZINC000352900777 456399988 /nfs/dbraw/zinc/39/99/88/456399988.db2.gz HZPAHXDQXBYOCF-UHFFFAOYSA-N 1 2 331.416 3.422 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)NCc1cccs1)Cc1cnn(C(C)C)c1 ZINC000352902721 456402322 /nfs/dbraw/zinc/40/23/22/456402322.db2.gz NNWVMODWSKTGCW-UHFFFAOYSA-N 1 2 346.500 3.220 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)NCc1cccs1)Cc1cnn(C(C)C)c1 ZINC000352902721 456402327 /nfs/dbraw/zinc/40/23/27/456402327.db2.gz NNWVMODWSKTGCW-UHFFFAOYSA-N 1 2 346.500 3.220 20 30 EGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000343118869 456417649 /nfs/dbraw/zinc/41/76/49/456417649.db2.gz FEZSLWJWNHGJFO-UHFFFAOYSA-N 1 2 338.436 3.440 20 30 EGEDLO Cc1ccc([C@@H](CNc2c(C#N)cccc2C#N)[NH+]2CCOCC2)cc1 ZINC000302864302 456419834 /nfs/dbraw/zinc/41/98/34/456419834.db2.gz XMRXZJWCORUREI-HXUWFJFHSA-N 1 2 346.434 3.224 20 30 EGEDLO C=CCC[N@@H+](C)Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000276515800 456503975 /nfs/dbraw/zinc/50/39/75/456503975.db2.gz YDAYMZYGLYLKNL-UHFFFAOYSA-N 1 2 345.756 3.342 20 30 EGEDLO C=CCC[N@H+](C)Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000276515800 456503987 /nfs/dbraw/zinc/50/39/87/456503987.db2.gz YDAYMZYGLYLKNL-UHFFFAOYSA-N 1 2 345.756 3.342 20 30 EGEDLO Cc1ncc(CO)c(/C=[NH+]/CCCCOCCc2ccccc2)c1O ZINC000298769004 456536271 /nfs/dbraw/zinc/53/62/71/456536271.db2.gz HBEGEKMCDUNWST-KGENOOAVSA-N 1 2 342.439 3.046 20 30 EGEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc2n[nH]cc2c1 ZINC000353188134 456547059 /nfs/dbraw/zinc/54/70/59/456547059.db2.gz YJFPJIDIBYHQKC-LBPRGKRZSA-N 1 2 344.378 3.335 20 30 EGEDLO C=CCOc1ccc(C[NH2+]Cc2csc(COC)n2)cc1OC ZINC000353197849 456553161 /nfs/dbraw/zinc/55/31/61/456553161.db2.gz XRJWSXUNAVTGOC-UHFFFAOYSA-N 1 2 334.441 3.153 20 30 EGEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2C(F)F)cc1Cl ZINC000353201135 456556358 /nfs/dbraw/zinc/55/63/58/456556358.db2.gz LGCKFKQSWHUXMF-ZDUSSCGKSA-N 1 2 327.762 3.270 20 30 EGEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2C(F)F)cc1Cl ZINC000353201135 456556361 /nfs/dbraw/zinc/55/63/61/456556361.db2.gz LGCKFKQSWHUXMF-ZDUSSCGKSA-N 1 2 327.762 3.270 20 30 EGEDLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)C(=O)NC1(C#N)CCCCC1 ZINC000298855121 456556330 /nfs/dbraw/zinc/55/63/30/456556330.db2.gz DUNRGOKGMDCMDM-CHWSQXEVSA-N 1 2 335.398 3.347 20 30 EGEDLO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1c(F)cccc1F ZINC000298855123 456556351 /nfs/dbraw/zinc/55/63/51/456556351.db2.gz DUNRGOKGMDCMDM-OLZOCXBDSA-N 1 2 335.398 3.347 20 30 EGEDLO C=CC[N@H+](Cc1cccs1)Cc1cnc(-c2cnn(C)c2)nc1 ZINC000353380158 456661799 /nfs/dbraw/zinc/66/17/99/456661799.db2.gz KUKBKFMGSKUQNV-UHFFFAOYSA-N 1 2 325.441 3.127 20 30 EGEDLO C=CC[N@@H+](Cc1cccs1)Cc1cnc(-c2cnn(C)c2)nc1 ZINC000353380158 456661807 /nfs/dbraw/zinc/66/18/07/456661807.db2.gz KUKBKFMGSKUQNV-UHFFFAOYSA-N 1 2 325.441 3.127 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1F ZINC000340763424 456674215 /nfs/dbraw/zinc/67/42/15/456674215.db2.gz KKYCNYHMNUSKIK-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1F ZINC000340763424 456674222 /nfs/dbraw/zinc/67/42/22/456674222.db2.gz KKYCNYHMNUSKIK-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@H](O)C1CCCCC1)C2 ZINC000328618608 456720103 /nfs/dbraw/zinc/72/01/03/456720103.db2.gz VGCYQYSNGACAKF-WMLDXEAASA-N 1 2 333.476 3.393 20 30 EGEDLO C=CCn1cccc1C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000338259888 456738226 /nfs/dbraw/zinc/73/82/26/456738226.db2.gz ZZUHIESUHMCFBL-INIZCTEOSA-N 1 2 329.831 3.114 20 30 EGEDLO C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1CCOCC12CCCC2 ZINC000328913533 456789040 /nfs/dbraw/zinc/78/90/40/456789040.db2.gz IDZVAOBOTANHBH-IAGOWNOFSA-N 1 2 338.492 3.183 20 30 EGEDLO C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1CCOCC12CCCC2 ZINC000328913533 456789049 /nfs/dbraw/zinc/78/90/49/456789049.db2.gz IDZVAOBOTANHBH-IAGOWNOFSA-N 1 2 338.492 3.183 20 30 EGEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CCOCC12CCCC2 ZINC000328913534 456790019 /nfs/dbraw/zinc/79/00/19/456790019.db2.gz IDZVAOBOTANHBH-SJORKVTESA-N 1 2 338.492 3.183 20 30 EGEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CCOCC12CCCC2 ZINC000328913534 456790027 /nfs/dbraw/zinc/79/00/27/456790027.db2.gz IDZVAOBOTANHBH-SJORKVTESA-N 1 2 338.492 3.183 20 30 EGEDLO O=C(Nc1scnc1C1CC1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000328926278 456792079 /nfs/dbraw/zinc/79/20/79/456792079.db2.gz OTSGDIPBYLDBGI-GFCCVEGCSA-N 1 2 329.429 3.020 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cnc2cc(C)ccn12 ZINC000348638463 456793090 /nfs/dbraw/zinc/79/30/90/456793090.db2.gz BRGKKZUERXDUCI-UHFFFAOYSA-N 1 2 325.412 3.306 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cnc2cc(C)ccn12 ZINC000348638463 456793093 /nfs/dbraw/zinc/79/30/93/456793093.db2.gz BRGKKZUERXDUCI-UHFFFAOYSA-N 1 2 325.412 3.306 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cc(C#N)ccc1Cl ZINC000348664874 456807234 /nfs/dbraw/zinc/80/72/34/456807234.db2.gz SGPLDVYOWZRPIL-UHFFFAOYSA-N 1 2 338.798 3.300 20 30 EGEDLO Cc1noc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(C)cc3F)C2)n1 ZINC000329032021 456818908 /nfs/dbraw/zinc/81/89/08/456818908.db2.gz LPDKMCYTHCNALQ-DGCLKSJQSA-N 1 2 332.379 3.292 20 30 EGEDLO Cc1noc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc(C)cc3F)C2)n1 ZINC000329032021 456818914 /nfs/dbraw/zinc/81/89/14/456818914.db2.gz LPDKMCYTHCNALQ-DGCLKSJQSA-N 1 2 332.379 3.292 20 30 EGEDLO CC(C)[C@H](C(=O)Nc1ccc2[nH]cnc2c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000329057953 456824454 /nfs/dbraw/zinc/82/44/54/456824454.db2.gz ISEPTHIUWWOZAR-PBFPGSCMSA-N 1 2 330.432 3.285 20 30 EGEDLO CC(C)[C@H](C(=O)Nc1ccc2nc[nH]c2c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000329057953 456824458 /nfs/dbraw/zinc/82/44/58/456824458.db2.gz ISEPTHIUWWOZAR-PBFPGSCMSA-N 1 2 330.432 3.285 20 30 EGEDLO Cc1noc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3Cl)C2)n1 ZINC000329064092 456825841 /nfs/dbraw/zinc/82/58/41/456825841.db2.gz VPKMAZPSTWTIND-CMPLNLGQSA-N 1 2 334.807 3.497 20 30 EGEDLO Cc1noc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3Cl)C2)n1 ZINC000329064092 456825846 /nfs/dbraw/zinc/82/58/46/456825846.db2.gz VPKMAZPSTWTIND-CMPLNLGQSA-N 1 2 334.807 3.497 20 30 EGEDLO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000329094849 456833707 /nfs/dbraw/zinc/83/37/07/456833707.db2.gz XSINAIHSSLFUJJ-BEFAXECRSA-N 1 2 332.444 3.107 20 30 EGEDLO CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000329094849 456833710 /nfs/dbraw/zinc/83/37/10/456833710.db2.gz XSINAIHSSLFUJJ-BEFAXECRSA-N 1 2 332.444 3.107 20 30 EGEDLO CC(C)[C@@H]1CCCCN1C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329265751 456864017 /nfs/dbraw/zinc/86/40/17/456864017.db2.gz CLZLDGLJTMELMR-IRXDYDNUSA-N 1 2 348.491 3.312 20 30 EGEDLO COc1ccc(CC(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)nc1 ZINC000329410813 456886699 /nfs/dbraw/zinc/88/66/99/456886699.db2.gz DBARFDOYYPLMNV-AWEZNQCLSA-N 1 2 342.443 3.098 20 30 EGEDLO N#CC1(NC(=O)C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)CCC1 ZINC000329446611 456891204 /nfs/dbraw/zinc/89/12/04/456891204.db2.gz KYUICJDWIVKBPN-UHFFFAOYSA-N 1 2 349.381 3.211 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NCc3ccccc3C)C2)[nH]1 ZINC000329453236 456892696 /nfs/dbraw/zinc/89/26/96/456892696.db2.gz NQHQKBRMTKWODK-WMLDXEAASA-N 1 2 341.459 3.146 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)NCc3ccccc3C)C2)[nH]1 ZINC000329453236 456892699 /nfs/dbraw/zinc/89/26/99/456892699.db2.gz NQHQKBRMTKWODK-WMLDXEAASA-N 1 2 341.459 3.146 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NCc3ccccc3C)C2)n1 ZINC000329453236 456892703 /nfs/dbraw/zinc/89/27/03/456892703.db2.gz NQHQKBRMTKWODK-WMLDXEAASA-N 1 2 341.459 3.146 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@@H](C)C(=O)NCc3ccccc3C)C2)n1 ZINC000329453236 456892708 /nfs/dbraw/zinc/89/27/08/456892708.db2.gz NQHQKBRMTKWODK-WMLDXEAASA-N 1 2 341.459 3.146 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)NCc3ccccc3C)C2)n[nH]1 ZINC000329453236 456892717 /nfs/dbraw/zinc/89/27/17/456892717.db2.gz NQHQKBRMTKWODK-WMLDXEAASA-N 1 2 341.459 3.146 20 30 EGEDLO O=C(N[C@@H]1CSc2ccccc21)N1CCC(n2cc[nH+]c2)CC1 ZINC000329496296 456900635 /nfs/dbraw/zinc/90/06/35/456900635.db2.gz DTXSCFVCHCQYRY-OAHLLOKOSA-N 1 2 328.441 3.281 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1C[C@@]12CCOC2)c1ccccc1F ZINC000329607006 456914963 /nfs/dbraw/zinc/91/49/63/456914963.db2.gz CFSHXCUJOLHHBO-JCKWVBRZSA-N 1 2 329.375 3.032 20 30 EGEDLO O=C(C[N@@H+]1CCC2(C1)Oc1ccccc1O2)NCC1CCCCC1 ZINC000329645148 456920633 /nfs/dbraw/zinc/92/06/33/456920633.db2.gz JFNPEGBCKUKRSO-UHFFFAOYSA-N 1 2 330.428 3.397 20 30 EGEDLO O=C(C[N@H+]1CCC2(C1)Oc1ccccc1O2)NCC1CCCCC1 ZINC000329645148 456920639 /nfs/dbraw/zinc/92/06/39/456920639.db2.gz JFNPEGBCKUKRSO-UHFFFAOYSA-N 1 2 330.428 3.397 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1conc1C1CC1)C2 ZINC000329790943 456941029 /nfs/dbraw/zinc/94/10/29/456941029.db2.gz UGLBRDYNVBOIHO-LBPRGKRZSA-N 1 2 328.416 3.366 20 30 EGEDLO C[N@@H+]1CCO[C@H]([C@H](Nc2cccc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000345167255 456950383 /nfs/dbraw/zinc/95/03/83/456950383.db2.gz YDLVUUKQZLBJOV-FUHWJXTLSA-N 1 2 342.830 3.090 20 30 EGEDLO C[N@H+]1CCO[C@H]([C@H](Nc2cccc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000345167255 456950388 /nfs/dbraw/zinc/95/03/88/456950388.db2.gz YDLVUUKQZLBJOV-FUHWJXTLSA-N 1 2 342.830 3.090 20 30 EGEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000349374291 456956647 /nfs/dbraw/zinc/95/66/47/456956647.db2.gz QUIMXRVQFJXZDC-WBVHZDCISA-N 1 2 340.475 3.475 20 30 EGEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000349374291 456956650 /nfs/dbraw/zinc/95/66/50/456956650.db2.gz QUIMXRVQFJXZDC-WBVHZDCISA-N 1 2 340.475 3.475 20 30 EGEDLO CC(C)[C@H](NC(=O)C[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1)c1ccccc1 ZINC000329914124 456960438 /nfs/dbraw/zinc/96/04/38/456960438.db2.gz PBJDGAMGCXVHNE-FFZOFVMBSA-N 1 2 346.471 3.220 20 30 EGEDLO CC(C)[C@H](NC(=O)C[N@H+]1CCO[C@]2(CCO[C@H]2C)C1)c1ccccc1 ZINC000329914124 456960440 /nfs/dbraw/zinc/96/04/40/456960440.db2.gz PBJDGAMGCXVHNE-FFZOFVMBSA-N 1 2 346.471 3.220 20 30 EGEDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)cc1C ZINC000329928446 456962108 /nfs/dbraw/zinc/96/21/08/456962108.db2.gz XXOWPHKROSUSKB-YOEHRIQHSA-N 1 2 345.443 3.291 20 30 EGEDLO Cc1ccc(NC(=O)NC(=O)C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)cc1C ZINC000329928446 456962114 /nfs/dbraw/zinc/96/21/14/456962114.db2.gz XXOWPHKROSUSKB-YOEHRIQHSA-N 1 2 345.443 3.291 20 30 EGEDLO Cc1ccc(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c(C)[nH+]1 ZINC000341862114 456975629 /nfs/dbraw/zinc/97/56/29/456975629.db2.gz KMNFJKXZASSQTI-SFHVURJKSA-N 1 2 336.395 3.176 20 30 EGEDLO Cn1c(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)nc2cccc(Cl)c21 ZINC000330060682 456980202 /nfs/dbraw/zinc/98/02/02/456980202.db2.gz NBIYNTYLOXXLEI-NSHDSACASA-N 1 2 343.818 3.142 20 30 EGEDLO CC(C)(C#N)CC[N@@H+]1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000345729044 456990141 /nfs/dbraw/zinc/99/01/41/456990141.db2.gz NSIPQDHNQIJJQE-CQSZACIVSA-N 1 2 339.361 3.118 20 30 EGEDLO CC(C)(C#N)CC[N@H+]1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000345729044 456990146 /nfs/dbraw/zinc/99/01/46/456990146.db2.gz NSIPQDHNQIJJQE-CQSZACIVSA-N 1 2 339.361 3.118 20 30 EGEDLO Cc1c[nH]c(-c2ccccc2NC(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)[nH+]1 ZINC000330177408 456996026 /nfs/dbraw/zinc/99/60/26/456996026.db2.gz KQYYNVBDZUANGQ-DVOMOZLQSA-N 1 2 327.384 3.025 20 30 EGEDLO COc1ccc([C@@H](NC(=O)C[N@@H+]2CCO[C@H]3CCC[C@H]32)C2CC2)cc1 ZINC000330243104 457009966 /nfs/dbraw/zinc/00/99/66/457009966.db2.gz CKLBTDLAPVBFEB-HBFSDRIKSA-N 1 2 344.455 3.356 20 30 EGEDLO COc1ccc([C@@H](NC(=O)C[N@H+]2CCO[C@H]3CCC[C@H]32)C2CC2)cc1 ZINC000330243104 457009971 /nfs/dbraw/zinc/00/99/71/457009971.db2.gz CKLBTDLAPVBFEB-HBFSDRIKSA-N 1 2 344.455 3.356 20 30 EGEDLO C=CCN(Cc1ccccc1)C(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000339242483 457012283 /nfs/dbraw/zinc/01/22/83/457012283.db2.gz MFZMKOAXSJERMN-MOPGFXCFSA-N 1 2 330.472 3.091 20 30 EGEDLO C=CCN(Cc1ccccc1)C(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000339242483 457012284 /nfs/dbraw/zinc/01/22/84/457012284.db2.gz MFZMKOAXSJERMN-MOPGFXCFSA-N 1 2 330.472 3.091 20 30 EGEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000330272593 457018299 /nfs/dbraw/zinc/01/82/99/457018299.db2.gz XTYIZHPWWUHSFB-OAHLLOKOSA-N 1 2 346.475 3.105 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000330274235 457018824 /nfs/dbraw/zinc/01/88/24/457018824.db2.gz JUCNLSGWWLAGAK-CABCVRRESA-N 1 2 334.464 3.302 20 30 EGEDLO CC(C)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)C1 ZINC000330282611 457021056 /nfs/dbraw/zinc/02/10/56/457021056.db2.gz ARUQEXVEVQWLJQ-HPFXQQBRSA-N 1 2 348.491 3.359 20 30 EGEDLO Cc1cc(Br)cn2c(CN3CCC(C#N)CC3)c[nH+]c12 ZINC000346165728 457021077 /nfs/dbraw/zinc/02/10/77/457021077.db2.gz DYQNKBVBKDVRQV-UHFFFAOYSA-N 1 2 333.233 3.141 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C[C@@H](CC#N)c1ccccc1)CCC2 ZINC000356512595 457030167 /nfs/dbraw/zinc/03/01/67/457030167.db2.gz IUEZJXJRSFZNJY-MSOLQXFVSA-N 1 2 336.439 3.273 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2nc(-c3ccccc3)oc2C)CC1 ZINC000341989098 457045981 /nfs/dbraw/zinc/04/59/81/457045981.db2.gz LEMXHVKTUQXQEL-UHFFFAOYSA-N 1 2 325.412 3.402 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)c(C#N)c1C ZINC000359865010 457135565 /nfs/dbraw/zinc/13/55/65/457135565.db2.gz CRVFABCNXMURTO-SJKOYZFVSA-N 1 2 338.411 3.185 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)c(C#N)c1C ZINC000359865010 457135568 /nfs/dbraw/zinc/13/55/68/457135568.db2.gz CRVFABCNXMURTO-SJKOYZFVSA-N 1 2 338.411 3.185 20 30 EGEDLO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)c(Br)c1OC ZINC000331323211 457167112 /nfs/dbraw/zinc/16/71/12/457167112.db2.gz FPXQTPNUHABIFN-CMPLNLGQSA-N 1 2 339.233 3.248 20 30 EGEDLO C[C@@H]1CN(c2ccc(Nc3c(C#N)cccc3C#N)c[nH+]2)C[C@@H](C)O1 ZINC000359996651 457194286 /nfs/dbraw/zinc/19/42/86/457194286.db2.gz XTLTURRDDJHGMJ-ZIAGYGMSSA-N 1 2 333.395 3.182 20 30 EGEDLO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000347058755 457209008 /nfs/dbraw/zinc/20/90/08/457209008.db2.gz QPQMQUKCJDJPTP-CVEARBPZSA-N 1 2 337.261 3.446 20 30 EGEDLO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000347058755 457209014 /nfs/dbraw/zinc/20/90/14/457209014.db2.gz QPQMQUKCJDJPTP-CVEARBPZSA-N 1 2 337.261 3.446 20 30 EGEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000331633916 457220965 /nfs/dbraw/zinc/22/09/65/457220965.db2.gz HPKMSZHJHZMOEI-UHFFFAOYSA-N 1 2 340.431 3.249 20 30 EGEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000331633916 457220974 /nfs/dbraw/zinc/22/09/74/457220974.db2.gz HPKMSZHJHZMOEI-UHFFFAOYSA-N 1 2 340.431 3.249 20 30 EGEDLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)o1 ZINC000355198897 457347247 /nfs/dbraw/zinc/34/72/47/457347247.db2.gz ODDXRBYQMZCVGA-BEZKYQLSSA-N 1 2 347.418 3.248 20 30 EGEDLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)o1 ZINC000355198897 457347251 /nfs/dbraw/zinc/34/72/51/457347251.db2.gz ODDXRBYQMZCVGA-BEZKYQLSSA-N 1 2 347.418 3.248 20 30 EGEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000355296764 457355011 /nfs/dbraw/zinc/35/50/11/457355011.db2.gz ZJCWTGXKFFYLOI-LJQANCHMSA-N 1 2 341.842 3.428 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@](C)(F)C2)c1 ZINC000347355955 457371705 /nfs/dbraw/zinc/37/17/05/457371705.db2.gz QQQOXCIBQHWVCS-APWZRJJASA-N 1 2 331.435 3.373 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@](C)(F)C2)c1 ZINC000347355955 457371708 /nfs/dbraw/zinc/37/17/08/457371708.db2.gz QQQOXCIBQHWVCS-APWZRJJASA-N 1 2 331.435 3.373 20 30 EGEDLO COc1ccc(-c2noc([C@@H](C)[NH+]3CCC(F)(C#N)CC3)n2)cc1 ZINC000352446987 457374540 /nfs/dbraw/zinc/37/45/40/457374540.db2.gz AJFRXEYHSRSTRA-GFCCVEGCSA-N 1 2 330.363 3.134 20 30 EGEDLO C=CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000378243664 457384234 /nfs/dbraw/zinc/38/42/34/457384234.db2.gz SKXFOAOBGZVXNZ-SFHVURJKSA-N 1 2 338.455 3.467 20 30 EGEDLO COc1ccc(CCNc2cc(C)[nH+]cc2C#N)c(Cl)c1OC ZINC000425255763 457472044 /nfs/dbraw/zinc/47/20/44/457472044.db2.gz AFOKGHBLTCJEFF-UHFFFAOYSA-N 1 2 331.803 3.009 20 30 EGEDLO Cc1cc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(C#N)c[nH+]1 ZINC000425252515 457472242 /nfs/dbraw/zinc/47/22/42/457472242.db2.gz ZRTLCIIACGROFQ-ZDUSSCGKSA-N 1 2 335.333 3.319 20 30 EGEDLO CN(C)c1[nH]c2ccc(NC(=O)c3cc(C#N)ccc3Cl)cc2[nH+]1 ZINC000357429284 457518965 /nfs/dbraw/zinc/51/89/65/457518965.db2.gz YRMLYVWNMQMGBR-UHFFFAOYSA-N 1 2 339.786 3.406 20 30 EGEDLO N#Cc1cccc(C2(NC(=O)c3cccc(-n4cc[nH+]c4)c3)CC2)c1 ZINC000347587909 457530748 /nfs/dbraw/zinc/53/07/48/457530748.db2.gz OWLILDGQRGRSEJ-UHFFFAOYSA-N 1 2 328.375 3.163 20 30 EGEDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)s1 ZINC000425479152 457570785 /nfs/dbraw/zinc/57/07/85/457570785.db2.gz DEXDXXKXIGUXDE-SECBINFHSA-N 1 2 335.816 3.306 20 30 EGEDLO Cc1c(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cccc1[N+](=O)[O-] ZINC000374350378 457594773 /nfs/dbraw/zinc/59/47/73/457594773.db2.gz KDLMQQYXRPOJHL-IBGZPJMESA-N 1 2 337.379 3.348 20 30 EGEDLO Cc1c(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cccc1[N+](=O)[O-] ZINC000374350378 457594780 /nfs/dbraw/zinc/59/47/80/457594780.db2.gz KDLMQQYXRPOJHL-IBGZPJMESA-N 1 2 337.379 3.348 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2C(=O)OC)cc1OC ZINC000361151489 457615801 /nfs/dbraw/zinc/61/58/01/457615801.db2.gz FREQDALCLIYBSO-ZBFHGGJFSA-N 1 2 333.428 3.034 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(=O)OC)cc1OC ZINC000361151489 457615806 /nfs/dbraw/zinc/61/58/06/457615806.db2.gz FREQDALCLIYBSO-ZBFHGGJFSA-N 1 2 333.428 3.034 20 30 EGEDLO C=CCOc1cccc(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000364613816 457658524 /nfs/dbraw/zinc/65/85/24/457658524.db2.gz CJQUMLHWCCRPIB-OAHLLOKOSA-N 1 2 340.427 3.396 20 30 EGEDLO N#Cc1ccc(Cl)c(C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000370581899 457677314 /nfs/dbraw/zinc/67/73/14/457677314.db2.gz BRTIZGVDLQIDOO-UHFFFAOYSA-N 1 2 336.782 3.327 20 30 EGEDLO CC(C)(C)C1CCC(C#N)(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000364948311 457718953 /nfs/dbraw/zinc/71/89/53/457718953.db2.gz KNIRNPJLYGMQHW-TZGCNFNXSA-N 1 2 328.460 3.060 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccccc1C#N ZINC000361437374 457732402 /nfs/dbraw/zinc/73/24/02/457732402.db2.gz KHLOTESZMWDQPH-UHFFFAOYSA-N 1 2 326.306 3.133 20 30 EGEDLO N#Cc1nc(NCc2ccc(N3CCCC3)[nH+]c2)ccc1C(F)(F)F ZINC000443506737 457772363 /nfs/dbraw/zinc/77/23/63/457772363.db2.gz CYYMYKCLCQQYQH-UHFFFAOYSA-N 1 2 347.344 3.001 20 30 EGEDLO N#C[C@@H](CCc1ccccc1)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000433221178 457782318 /nfs/dbraw/zinc/78/23/18/457782318.db2.gz SHRVCMOJXZGESJ-LJQANCHMSA-N 1 2 348.450 3.071 20 30 EGEDLO C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C#N)c1ccc2c(c1)CCCC2 ZINC000433326757 457812008 /nfs/dbraw/zinc/81/20/08/457812008.db2.gz PDJSSGPHPNVSSE-HNNXBMFYSA-N 1 2 327.472 3.224 20 30 EGEDLO C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C#N)c1ccc2c(c1)CCCC2 ZINC000433326757 457812018 /nfs/dbraw/zinc/81/20/18/457812018.db2.gz PDJSSGPHPNVSSE-HNNXBMFYSA-N 1 2 327.472 3.224 20 30 EGEDLO Cc1ccc(F)c(C[N@@H+](C)[C@@H](C)C(=O)NC2(C#N)CCCCC2)c1 ZINC000444730267 457957998 /nfs/dbraw/zinc/95/79/98/457957998.db2.gz DYNAZBBHSHIQLD-HNNXBMFYSA-N 1 2 331.435 3.297 20 30 EGEDLO Cc1ccc(F)c(C[N@H+](C)[C@@H](C)C(=O)NC2(C#N)CCCCC2)c1 ZINC000444730267 457958004 /nfs/dbraw/zinc/95/80/04/457958004.db2.gz DYNAZBBHSHIQLD-HNNXBMFYSA-N 1 2 331.435 3.297 20 30 EGEDLO N#CCc1ccc(C[S@](=O)Cc2[nH+]ccn2-c2ccccc2)cc1 ZINC000434629675 458025461 /nfs/dbraw/zinc/02/54/61/458025461.db2.gz RLAZLVGCXMVWNO-DEOSSOPVSA-N 1 2 335.432 3.387 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)NCc1ccccc1 ZINC000371781500 458071627 /nfs/dbraw/zinc/07/16/27/458071627.db2.gz KYJXJCZRZWANHQ-PMACEKPBSA-N 1 2 333.435 3.075 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccccc1 ZINC000371781500 458071632 /nfs/dbraw/zinc/07/16/32/458071632.db2.gz KYJXJCZRZWANHQ-PMACEKPBSA-N 1 2 333.435 3.075 20 30 EGEDLO N#Cc1cccc(C2(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)CC2)c1 ZINC000435026643 458079338 /nfs/dbraw/zinc/07/93/38/458079338.db2.gz NDWFHMBJVPWKSC-UHFFFAOYSA-N 1 2 342.402 3.092 20 30 EGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCC(C)(C)CCC#N)CC1 ZINC000358702294 458158633 /nfs/dbraw/zinc/15/86/33/458158633.db2.gz DXWPAOWSXSSSGW-HNNXBMFYSA-N 1 2 348.516 3.466 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@H]1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000362591830 458287668 /nfs/dbraw/zinc/28/76/68/458287668.db2.gz RLBRXJNERJAALL-IMJJTQAJSA-N 1 2 349.500 3.295 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@H]1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000362591830 458287672 /nfs/dbraw/zinc/28/76/72/458287672.db2.gz RLBRXJNERJAALL-IMJJTQAJSA-N 1 2 349.500 3.295 20 30 EGEDLO C[N@H+](CCC#N)C[C@@H](O)COc1c(Cl)cc(Cl)cc1Cl ZINC000414133935 458315529 /nfs/dbraw/zinc/31/55/29/458315529.db2.gz DHDYTWCWDWWGAV-SNVBAGLBSA-N 1 2 337.634 3.232 20 30 EGEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1c(Cl)cc(Cl)cc1Cl ZINC000414133935 458315536 /nfs/dbraw/zinc/31/55/36/458315536.db2.gz DHDYTWCWDWWGAV-SNVBAGLBSA-N 1 2 337.634 3.232 20 30 EGEDLO Cc1cc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413192493 458295313 /nfs/dbraw/zinc/29/53/13/458295313.db2.gz NDIWCUUCHNHULL-SJCJKPOMSA-N 1 2 325.372 3.059 20 30 EGEDLO CC[C@H](CC1CCCCC1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000413277316 458296137 /nfs/dbraw/zinc/29/61/37/458296137.db2.gz DOJRRXUKMCAVER-LJQANCHMSA-N 1 2 349.519 3.057 20 30 EGEDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH+]1Cc1cccc(C#N)c1F ZINC000429394321 458328339 /nfs/dbraw/zinc/32/83/39/458328339.db2.gz PEYJBJQEDWASFT-ZIAGYGMSSA-N 1 2 331.435 3.165 20 30 EGEDLO C[C@H](c1cccc(NC(=O)NCC(C)(C)CC#N)c1)[NH+]1CCOCC1 ZINC000459383991 458352761 /nfs/dbraw/zinc/35/27/61/458352761.db2.gz HQWJJNWKGCWQMZ-OAHLLOKOSA-N 1 2 344.459 3.141 20 30 EGEDLO CC1(C)CC[N@H+](Cc2cccc(OCCCC#N)c2)CC[S@@]1=O ZINC000449574568 458427480 /nfs/dbraw/zinc/42/74/80/458427480.db2.gz XTJSHXABPRJLAZ-QHCPKHFHSA-N 1 2 334.485 3.102 20 30 EGEDLO CC1(C)CC[N@@H+](Cc2cccc(OCCCC#N)c2)CC[S@@]1=O ZINC000449574568 458427484 /nfs/dbraw/zinc/42/74/84/458427484.db2.gz XTJSHXABPRJLAZ-QHCPKHFHSA-N 1 2 334.485 3.102 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccccc3OC)CC2)CCCC1 ZINC000449833326 458432472 /nfs/dbraw/zinc/43/24/72/458432472.db2.gz GAXOFQUDORFPTK-UHFFFAOYSA-N 1 2 342.483 3.476 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000373568436 458535600 /nfs/dbraw/zinc/53/56/00/458535600.db2.gz MYHOXLWGCMZUEE-KGLIPLIRSA-N 1 2 340.452 3.336 20 30 EGEDLO C=CCOc1cccc(NC(=O)[C@@H](C(CC)CC)[NH+]2CCOCC2)c1 ZINC000460972035 458542582 /nfs/dbraw/zinc/54/25/82/458542582.db2.gz ZPLABXBHGBZLHN-LJQANCHMSA-N 1 2 346.471 3.327 20 30 EGEDLO C=CCC1(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)CCCC1 ZINC000454261076 458556995 /nfs/dbraw/zinc/55/69/95/458556995.db2.gz XESMZUXRGPHCHE-UHFFFAOYSA-N 1 2 330.476 3.198 20 30 EGEDLO C=CC(C)(C)CNC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000454613724 458568886 /nfs/dbraw/zinc/56/88/86/458568886.db2.gz LWLPBZZKGGFLPX-UHFFFAOYSA-N 1 2 326.444 3.137 20 30 EGEDLO C=CCn1cc(C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)nn1 ZINC000424176367 458577470 /nfs/dbraw/zinc/57/74/70/458577470.db2.gz XKNQSOHMFWBMLN-UHFFFAOYSA-N 1 2 330.741 3.426 20 30 EGEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(Br)s2)nn1 ZINC000424173388 458577879 /nfs/dbraw/zinc/57/78/79/458577879.db2.gz PQPWIWVQVIPJET-SECBINFHSA-N 1 2 327.251 3.139 20 30 EGEDLO C=C(C)CCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000455313982 458592870 /nfs/dbraw/zinc/59/28/70/458592870.db2.gz RLXIUDUIRYQIPZ-OAHLLOKOSA-N 1 2 332.835 3.428 20 30 EGEDLO C=CCC(C)(C)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000432131278 458686850 /nfs/dbraw/zinc/68/68/50/458686850.db2.gz WUZFLYLOYOUZJR-UHFFFAOYSA-N 1 2 333.432 3.441 20 30 EGEDLO CC(C)CC(C)(C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000439707966 458743140 /nfs/dbraw/zinc/74/31/40/458743140.db2.gz NVDOZTXRBSTCJA-UHFFFAOYSA-N 1 2 327.472 3.275 20 30 EGEDLO N#CC1(F)CC[NH+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)CC1 ZINC000510912884 458776675 /nfs/dbraw/zinc/77/66/75/458776675.db2.gz CHEGHUPAGLHMKQ-LJQANCHMSA-N 1 2 343.446 3.362 20 30 EGEDLO N#CC1(NC(=O)C[N@H+](Cc2ccc(F)cc2Cl)CC2CC2)CCC1 ZINC000511110148 458777528 /nfs/dbraw/zinc/77/75/28/458777528.db2.gz WNOAYMZFZSRQNG-UHFFFAOYSA-N 1 2 349.837 3.254 20 30 EGEDLO N#CC1(NC(=O)C[N@@H+](Cc2ccc(F)cc2Cl)CC2CC2)CCC1 ZINC000511110148 458777533 /nfs/dbraw/zinc/77/75/33/458777533.db2.gz WNOAYMZFZSRQNG-UHFFFAOYSA-N 1 2 349.837 3.254 20 30 EGEDLO CCCN(CCC)C(=O)C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000464817657 458779306 /nfs/dbraw/zinc/77/93/06/458779306.db2.gz HUCFLDPNHCVTQV-MOPGFXCFSA-N 1 2 327.472 3.407 20 30 EGEDLO CCCN(CCC)C(=O)C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000464817657 458779314 /nfs/dbraw/zinc/77/93/14/458779314.db2.gz HUCFLDPNHCVTQV-MOPGFXCFSA-N 1 2 327.472 3.407 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)Cc1ccc(CO)o1 ZINC000512221555 458784196 /nfs/dbraw/zinc/78/41/96/458784196.db2.gz ZAIGMDUNMQMBSX-GPMSIDNRSA-N 1 2 348.487 3.091 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)Cc1ccc(CO)o1 ZINC000512221555 458784203 /nfs/dbraw/zinc/78/42/03/458784203.db2.gz ZAIGMDUNMQMBSX-GPMSIDNRSA-N 1 2 348.487 3.091 20 30 EGEDLO O=C(NCCNc1cccc[nH+]1)c1ccc(C#Cc2ccccc2)cc1 ZINC000514995974 458804385 /nfs/dbraw/zinc/80/43/85/458804385.db2.gz KNNOROAMNSSSRJ-UHFFFAOYSA-N 1 2 341.414 3.323 20 30 EGEDLO CCOC(=O)[C@H]1C[N@H+](CC#Cc2ccc(F)cc2)Cc2ccccc21 ZINC000441123039 458891461 /nfs/dbraw/zinc/89/14/61/458891461.db2.gz IRSMNOKYVVRYFN-FQEVSTJZSA-N 1 2 337.394 3.340 20 30 EGEDLO CCOC(=O)[C@H]1C[N@@H+](CC#Cc2ccc(F)cc2)Cc2ccccc21 ZINC000441123039 458891466 /nfs/dbraw/zinc/89/14/66/458891466.db2.gz IRSMNOKYVVRYFN-FQEVSTJZSA-N 1 2 337.394 3.340 20 30 EGEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(COC2CCCCC2)c1 ZINC000577275530 459008601 /nfs/dbraw/zinc/00/86/01/459008601.db2.gz CZHXTTBBNXAOSF-IBGZPJMESA-N 1 2 345.487 3.154 20 30 EGEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(COC2CCCCC2)c1 ZINC000577275530 459008605 /nfs/dbraw/zinc/00/86/05/459008605.db2.gz CZHXTTBBNXAOSF-IBGZPJMESA-N 1 2 345.487 3.154 20 30 EGEDLO C=CCN(CCc1ccccc1)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000520124201 459032463 /nfs/dbraw/zinc/03/24/63/459032463.db2.gz GPYKIATXOURNHC-UHFFFAOYSA-N 1 2 348.450 3.317 20 30 EGEDLO COc1cc(C[NH+]2CCN(c3cc(F)ccc3F)CC2)ccc1C#N ZINC000442881676 459051155 /nfs/dbraw/zinc/05/11/55/459051155.db2.gz NNQFBQPPJWWXIC-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO CCc1nc(C)c(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)o1 ZINC000589990706 459062285 /nfs/dbraw/zinc/06/22/85/459062285.db2.gz AUJHUZXWTJWBMN-KRWDZBQOSA-N 1 2 342.418 3.067 20 30 EGEDLO Cc1cc(N2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c(C#N)c[nH+]1 ZINC000496383851 459173595 /nfs/dbraw/zinc/17/35/95/459173595.db2.gz QAKVPXDUBXIBKP-KBPBESRZSA-N 1 2 330.432 3.001 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)c2c(Cl)cc(C#N)cc2Cl)c2[nH+]ccn21 ZINC000590875718 459253848 /nfs/dbraw/zinc/25/38/48/459253848.db2.gz LODLFTQQPQNNAH-PELKAZGASA-N 1 2 335.194 3.497 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000559523386 459264338 /nfs/dbraw/zinc/26/43/38/459264338.db2.gz GEGMSCMXEURJFO-INIZCTEOSA-N 1 2 343.446 3.313 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1csc(-c2ccccc2Cl)n1 ZINC000580837003 459265222 /nfs/dbraw/zinc/26/52/22/459265222.db2.gz NIWJCCSZKRCGBW-MRXNPFEDSA-N 1 2 348.859 3.037 20 30 EGEDLO N#Cc1ccc(CCN2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000595290158 459268316 /nfs/dbraw/zinc/26/83/16/459268316.db2.gz IOIAFNLGRHNPRM-DAXSKMNVSA-N 1 2 331.463 3.432 20 30 EGEDLO Cc1ccc[nH+]c1CCc1noc([C@@H](C#N)Cc2ccc(C#N)cc2)n1 ZINC000581113949 459268855 /nfs/dbraw/zinc/26/88/55/459268855.db2.gz SJKJRUKPYWYRGB-QGZVFWFLSA-N 1 2 343.390 3.280 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483098790 459338847 /nfs/dbraw/zinc/33/88/47/459338847.db2.gz CISDPHOHKATNHB-IEBWSBKVSA-N 1 2 338.382 3.401 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483098790 459338853 /nfs/dbraw/zinc/33/88/53/459338853.db2.gz CISDPHOHKATNHB-IEBWSBKVSA-N 1 2 338.382 3.401 20 30 EGEDLO N#CCc1cccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000560451870 459349832 /nfs/dbraw/zinc/34/98/32/459349832.db2.gz AMHGQYZLZJECOQ-UHFFFAOYSA-N 1 2 340.452 3.164 20 30 EGEDLO C=C(C)[C@H](CC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)OCC ZINC000535156250 459354209 /nfs/dbraw/zinc/35/42/09/459354209.db2.gz NNQMEVTZFUHRBM-WUQYLLKWSA-N 1 2 342.483 3.215 20 30 EGEDLO Cc1cc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)c(C)c[nH+]1 ZINC000569186007 459409645 /nfs/dbraw/zinc/40/96/45/459409645.db2.gz GLKKWZOQBDCYPA-UHFFFAOYSA-N 1 2 345.406 3.150 20 30 EGEDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)cc1F ZINC000595747183 459423938 /nfs/dbraw/zinc/42/39/38/459423938.db2.gz HKXDOGNGCVAXEM-LPHOPBHVSA-N 1 2 347.434 3.026 20 30 EGEDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)cc1F ZINC000595747183 459423944 /nfs/dbraw/zinc/42/39/44/459423944.db2.gz HKXDOGNGCVAXEM-LPHOPBHVSA-N 1 2 347.434 3.026 20 30 EGEDLO CC(C)(C#N)[NH+]1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 ZINC000497073894 459428039 /nfs/dbraw/zinc/42/80/39/459428039.db2.gz QSKNAQUORONYJD-ZWKOTPCHSA-N 1 2 341.455 3.315 20 30 EGEDLO CN(CCC#N)C[C@@H](O)CNc1ccc([NH2+]C2CCCCC2)cc1 ZINC000591773797 459432654 /nfs/dbraw/zinc/43/26/54/459432654.db2.gz XZVSQYAAARKYPZ-IBGZPJMESA-N 1 2 330.476 3.049 20 30 EGEDLO CC(C)(C)OC(=O)NCC[C@H]([NH2+]Cc1cccc(C#N)c1)C(F)F ZINC000497096504 459437580 /nfs/dbraw/zinc/43/75/80/459437580.db2.gz FNWCMHMYXMKDRY-AWEZNQCLSA-N 1 2 339.386 3.196 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595784545 459438993 /nfs/dbraw/zinc/43/89/93/459438993.db2.gz BGCRXBWFZIGIJL-FHWLQOOXSA-N 1 2 342.439 3.053 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595784545 459438999 /nfs/dbraw/zinc/43/89/99/459438999.db2.gz BGCRXBWFZIGIJL-FHWLQOOXSA-N 1 2 342.439 3.053 20 30 EGEDLO Cc1ccc(-n2c[nH+]c3c2CCN(c2cc(C)ncc2C#N)C3)cc1 ZINC000591823900 459448914 /nfs/dbraw/zinc/44/89/14/459448914.db2.gz FZPUAAGKWLVTKE-UHFFFAOYSA-N 1 2 329.407 3.319 20 30 EGEDLO CC(C)(C)OC(=O)NCC12CCC(CC1)C[N@@H+]2C[C@H](C#N)CCC#N ZINC000497264318 459507561 /nfs/dbraw/zinc/50/75/61/459507561.db2.gz VYOAGAYNSFMJLM-WUJZJPHMSA-N 1 2 346.475 3.199 20 30 EGEDLO CC(C)(C)OC(=O)NCC12CCC(CC1)C[N@H+]2C[C@H](C#N)CCC#N ZINC000497264318 459507566 /nfs/dbraw/zinc/50/75/66/459507566.db2.gz VYOAGAYNSFMJLM-WUJZJPHMSA-N 1 2 346.475 3.199 20 30 EGEDLO N#CC1(NC(=O)C[N@@H+](Cc2c(F)cccc2F)C2CCCC2)CCC1 ZINC000525894020 459512656 /nfs/dbraw/zinc/51/26/56/459512656.db2.gz YNBCGFIEURTNJV-UHFFFAOYSA-N 1 2 347.409 3.272 20 30 EGEDLO N#CC1(NC(=O)C[N@H+](Cc2c(F)cccc2F)C2CCCC2)CCC1 ZINC000525894020 459512662 /nfs/dbraw/zinc/51/26/62/459512662.db2.gz YNBCGFIEURTNJV-UHFFFAOYSA-N 1 2 347.409 3.272 20 30 EGEDLO C[NH+](C)[C@H](CNc1nc(C#N)c(Cl)s1)c1c(F)cccc1F ZINC000596129881 459531444 /nfs/dbraw/zinc/53/14/44/459531444.db2.gz RXVJORWZRJKYKF-LLVKDONJSA-N 1 2 342.802 3.083 20 30 EGEDLO Cc1nc(C[N@@H+]2CC[C@@](O)(CC#N)C2)oc1-c1ccc(Cl)cc1 ZINC000592150553 459537615 /nfs/dbraw/zinc/53/76/15/459537615.db2.gz GMWILXXXVKHGFD-KRWDZBQOSA-N 1 2 331.803 3.154 20 30 EGEDLO Cc1nc(C[N@H+]2CC[C@@](O)(CC#N)C2)oc1-c1ccc(Cl)cc1 ZINC000592150553 459537625 /nfs/dbraw/zinc/53/76/25/459537625.db2.gz GMWILXXXVKHGFD-KRWDZBQOSA-N 1 2 331.803 3.154 20 30 EGEDLO C=C(C)[C@H]([NH2+]Cc1ncnn1CC(F)F)c1ccc(F)c(F)c1 ZINC000488048677 459538219 /nfs/dbraw/zinc/53/82/19/459538219.db2.gz ZFJZTVRUPPWQGJ-HNNXBMFYSA-N 1 2 328.313 3.228 20 30 EGEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC2(CCCC2)O1 ZINC000592195514 459547810 /nfs/dbraw/zinc/54/78/10/459547810.db2.gz SVLBIQSTRZCLRF-ZDUSSCGKSA-N 1 2 347.846 3.184 20 30 EGEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC2(CCCC2)O1 ZINC000592195514 459547815 /nfs/dbraw/zinc/54/78/15/459547815.db2.gz SVLBIQSTRZCLRF-ZDUSSCGKSA-N 1 2 347.846 3.184 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000570462808 459556467 /nfs/dbraw/zinc/55/64/67/459556467.db2.gz WUMTUJYSISKLTI-KGLIPLIRSA-N 1 2 330.457 3.159 20 30 EGEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000489473090 459565998 /nfs/dbraw/zinc/56/59/98/459565998.db2.gz HYQBIPGZKRBULR-GFCCVEGCSA-N 1 2 338.835 3.336 20 30 EGEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000489473090 459566004 /nfs/dbraw/zinc/56/60/04/459566004.db2.gz HYQBIPGZKRBULR-GFCCVEGCSA-N 1 2 338.835 3.336 20 30 EGEDLO COC(=O)c1cccc(C[NH2+][C@@H](c2ncc(C)s2)C2CC2)c1C#N ZINC000542534213 459567185 /nfs/dbraw/zinc/56/71/85/459567185.db2.gz YSXQLRNSUNZLTI-MRXNPFEDSA-N 1 2 341.436 3.351 20 30 EGEDLO CC#CCCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000542738997 459586596 /nfs/dbraw/zinc/58/65/96/459586596.db2.gz VOTGGHKAQKRLSU-INIZCTEOSA-N 1 2 349.272 3.116 20 30 EGEDLO C#CCN(C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1)C1CCCC1 ZINC000490800525 459587357 /nfs/dbraw/zinc/58/73/57/459587357.db2.gz STHDKDAOARXXDI-SFHVURJKSA-N 1 2 336.439 3.097 20 30 EGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)c1nc(N)c2ccccc2[nH+]1 ZINC000573154581 459633589 /nfs/dbraw/zinc/63/35/89/459633589.db2.gz DSDPIXSEXYNZBX-UHFFFAOYSA-N 1 2 336.443 3.402 20 30 EGEDLO CC(C)(C#N)c1ccc(C(=O)NCC2CC[NH+](CC(F)F)CC2)cc1 ZINC000584063193 459646184 /nfs/dbraw/zinc/64/61/84/459646184.db2.gz KMARAIMJVXTIII-UHFFFAOYSA-N 1 2 349.425 3.195 20 30 EGEDLO C#CCN(C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C1CC1 ZINC000491715213 459659895 /nfs/dbraw/zinc/65/98/95/459659895.db2.gz OURDAYMOZPGBDT-IBGZPJMESA-N 1 2 336.439 3.048 20 30 EGEDLO C#CCN(C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F)C1CCCCC1 ZINC000491712426 459660456 /nfs/dbraw/zinc/66/04/56/459660456.db2.gz ZOBSAHXULGLTEI-CQSZACIVSA-N 1 2 341.377 3.251 20 30 EGEDLO C#C[C@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(F)cc1 ZINC000491734135 459663180 /nfs/dbraw/zinc/66/31/80/459663180.db2.gz OKVOTPIABNZZDX-SFHVURJKSA-N 1 2 348.381 3.185 20 30 EGEDLO C#C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000491739997 459664597 /nfs/dbraw/zinc/66/45/97/459664597.db2.gz DHMFVFVPXGEVSK-KRWDZBQOSA-N 1 2 333.840 3.208 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000596593811 459688393 /nfs/dbraw/zinc/68/83/93/459688393.db2.gz RXYQWZYSARUOGO-KDOFPFPSSA-N 1 2 334.423 3.363 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000596593811 459688399 /nfs/dbraw/zinc/68/83/99/459688399.db2.gz RXYQWZYSARUOGO-KDOFPFPSSA-N 1 2 334.423 3.363 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1ccc(-c2ccccc2F)o1 ZINC000493101450 459733587 /nfs/dbraw/zinc/73/35/87/459733587.db2.gz CNUJZFJXAOPWBO-ZMOVQZPESA-N 1 2 341.386 3.059 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000596732822 459744611 /nfs/dbraw/zinc/74/46/11/459744611.db2.gz OSEJTIJAYZHOIQ-GFCCVEGCSA-N 1 2 329.429 3.468 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000596732822 459744619 /nfs/dbraw/zinc/74/46/19/459744619.db2.gz OSEJTIJAYZHOIQ-GFCCVEGCSA-N 1 2 329.429 3.468 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000563350492 459764289 /nfs/dbraw/zinc/76/42/89/459764289.db2.gz OOVVJKPJDJEVRC-HNNXBMFYSA-N 1 2 341.430 3.256 20 30 EGEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl ZINC000565607336 459786402 /nfs/dbraw/zinc/78/64/02/459786402.db2.gz OEERFNTZXXBKQD-TVQRCGJNSA-N 1 2 337.210 3.276 20 30 EGEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl ZINC000565607336 459786404 /nfs/dbraw/zinc/78/64/04/459786404.db2.gz OEERFNTZXXBKQD-TVQRCGJNSA-N 1 2 337.210 3.276 20 30 EGEDLO C=C(C)CN(Cc1ccc(CO)o1)c1nc(C2CC2)[nH+]c(C)c1OC ZINC000565961172 459789522 /nfs/dbraw/zinc/78/95/22/459789522.db2.gz LHOGXKQAGRIHOO-UHFFFAOYSA-N 1 2 343.427 3.339 20 30 EGEDLO C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1c(Cl)cccc1Cl ZINC000593154354 459790189 /nfs/dbraw/zinc/79/01/89/459790189.db2.gz HVAOYHDYOJPHLA-BONVTDFDSA-N 1 2 328.243 3.057 20 30 EGEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)sc1-c1ccc(F)cc1 ZINC000574222520 459794203 /nfs/dbraw/zinc/79/42/03/459794203.db2.gz DCXLYPIOZOSTEI-SFHVURJKSA-N 1 2 345.443 3.436 20 30 EGEDLO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000528500499 459809222 /nfs/dbraw/zinc/80/92/22/459809222.db2.gz BSAFCUKURJPTJQ-XJKSGUPXSA-N 1 2 344.846 3.408 20 30 EGEDLO N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000528500499 459809224 /nfs/dbraw/zinc/80/92/24/459809224.db2.gz BSAFCUKURJPTJQ-XJKSGUPXSA-N 1 2 344.846 3.408 20 30 EGEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc(-c2ccc(F)c(F)c2)c1 ZINC000566128286 459811510 /nfs/dbraw/zinc/81/15/10/459811510.db2.gz RIWNFXBFZFXILH-QGZVFWFLSA-N 1 2 345.393 3.250 20 30 EGEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(-c2ccc(F)c(F)c2)c1 ZINC000566128286 459811515 /nfs/dbraw/zinc/81/15/15/459811515.db2.gz RIWNFXBFZFXILH-QGZVFWFLSA-N 1 2 345.393 3.250 20 30 EGEDLO CN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(C#N)cc1F ZINC000609217873 459925836 /nfs/dbraw/zinc/92/58/36/459925836.db2.gz WALGJIJHXJQPBT-UHFFFAOYSA-N 1 2 334.354 3.219 20 30 EGEDLO C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000575192214 459947084 /nfs/dbraw/zinc/94/70/84/459947084.db2.gz KCBBJAPJJAYXKO-ZDUSSCGKSA-N 1 2 328.366 3.115 20 30 EGEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CCCCCC#N ZINC000588376444 459954507 /nfs/dbraw/zinc/95/45/07/459954507.db2.gz AISVUCXTEKBVGW-UHFFFAOYSA-N 1 2 329.444 3.240 20 30 EGEDLO CCOC(=O)c1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)[nH]1 ZINC000602487278 459964927 /nfs/dbraw/zinc/96/49/27/459964927.db2.gz WLMATKHDDHOIIE-MJGOQNOKSA-N 1 2 337.423 3.463 20 30 EGEDLO CCOC(=O)c1ccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)[nH]1 ZINC000602487278 459964931 /nfs/dbraw/zinc/96/49/31/459964931.db2.gz WLMATKHDDHOIIE-MJGOQNOKSA-N 1 2 337.423 3.463 20 30 EGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000589159974 460040099 /nfs/dbraw/zinc/04/00/99/460040099.db2.gz BAFWGUIEWLICLV-UHFFFAOYSA-N 1 2 348.406 3.492 20 30 EGEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000594009004 460054733 /nfs/dbraw/zinc/05/47/33/460054733.db2.gz VQWIGICUCKZPQE-STQMWFEESA-N 1 2 344.484 3.498 20 30 EGEDLO CC(C)C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccc(Cl)cc1 ZINC000598836572 460059305 /nfs/dbraw/zinc/05/93/05/460059305.db2.gz NCDYZUSRLSOMQM-WMZOPIPTSA-N 1 2 335.879 3.430 20 30 EGEDLO C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1cccc(C#N)c1 ZINC000610347265 460128873 /nfs/dbraw/zinc/12/88/73/460128873.db2.gz HTSMPHUAUADNQR-OAHLLOKOSA-N 1 2 349.438 3.114 20 30 EGEDLO C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1cccc(C#N)c1 ZINC000610360413 460133823 /nfs/dbraw/zinc/13/38/23/460133823.db2.gz YPEJRDPYFMPNFJ-HNNXBMFYSA-N 1 2 330.391 3.294 20 30 EGEDLO CCc1ccc([C@H](NC(=O)C[NH2+][C@@H](C)CC#N)c2cccs2)cc1 ZINC000602866968 460164819 /nfs/dbraw/zinc/16/48/19/460164819.db2.gz AREUNLYIFGAGMV-LIRRHRJNSA-N 1 2 341.480 3.408 20 30 EGEDLO COC(=O)[C@@H]([NH2+]C[C@@H]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000610580334 460188571 /nfs/dbraw/zinc/18/85/71/460188571.db2.gz MWHGKUSEDULLQW-UZLBHIALSA-N 1 2 334.419 3.167 20 30 EGEDLO N#Cc1cc(Br)ccc1Oc1cc(-n2cc[nH+]c2)ncn1 ZINC000610726462 460226452 /nfs/dbraw/zinc/22/64/52/460226452.db2.gz SQLHIWUSWYDWMN-UHFFFAOYSA-N 1 2 342.156 3.089 20 30 EGEDLO CN(C)c1ccc(CNC(=O)c2c(Cl)cc(C#N)cc2Cl)c[nH+]1 ZINC000611093049 460288780 /nfs/dbraw/zinc/28/87/80/460288780.db2.gz STJUAGHPKQPHKI-UHFFFAOYSA-N 1 2 349.221 3.256 20 30 EGEDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000611280648 460327773 /nfs/dbraw/zinc/32/77/73/460327773.db2.gz QJVBNYSCVLOEPY-CQSZACIVSA-N 1 2 349.463 3.446 20 30 EGEDLO COc1ccc(-c2nnc(C[NH2+][C@H](C)c3cccc(C#N)c3)o2)cc1 ZINC000611386290 460350157 /nfs/dbraw/zinc/35/01/57/460350157.db2.gz HLOLEYOMRJXLMK-CYBMUJFWSA-N 1 2 334.379 3.468 20 30 EGEDLO C[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(C#N)c1 ZINC000611389065 460351634 /nfs/dbraw/zinc/35/16/34/460351634.db2.gz PTBUWUBFJKVMDY-GFCCVEGCSA-N 1 2 349.350 3.367 20 30 EGEDLO Cc1noc(C[N@@H+](C)Cc2cccc(OCc3cccc(C#N)c3)c2)n1 ZINC000604439037 460427126 /nfs/dbraw/zinc/42/71/26/460427126.db2.gz VIUJZYIHHFWBGE-UHFFFAOYSA-N 1 2 348.406 3.461 20 30 EGEDLO Cc1noc(C[N@H+](C)Cc2cccc(OCc3cccc(C#N)c3)c2)n1 ZINC000604439037 460427133 /nfs/dbraw/zinc/42/71/33/460427133.db2.gz VIUJZYIHHFWBGE-UHFFFAOYSA-N 1 2 348.406 3.461 20 30 EGEDLO CCC[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccccc1F ZINC000604493300 460434279 /nfs/dbraw/zinc/43/42/79/460434279.db2.gz HFZWYIBDSQHLHY-UHFFFAOYSA-N 1 2 339.414 3.226 20 30 EGEDLO CCC[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccccc1F ZINC000604493300 460434283 /nfs/dbraw/zinc/43/42/83/460434283.db2.gz HFZWYIBDSQHLHY-UHFFFAOYSA-N 1 2 339.414 3.226 20 30 EGEDLO Cc1cc(C)c(C#N)c(NCc2cc[nH+]c(N3CCSCC3)c2)n1 ZINC000601239671 460762256 /nfs/dbraw/zinc/76/22/56/460762256.db2.gz AOTNCTFSZOPBOA-UHFFFAOYSA-N 1 2 339.468 3.130 20 30 EGEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)nn1 ZINC000653558432 461721222 /nfs/dbraw/zinc/72/12/22/461721222.db2.gz BOEUXCZZMVTWJZ-MRXNPFEDSA-N 1 2 342.418 3.088 20 30 EGEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)nn1 ZINC000653558432 461721229 /nfs/dbraw/zinc/72/12/29/461721229.db2.gz BOEUXCZZMVTWJZ-MRXNPFEDSA-N 1 2 342.418 3.088 20 30 EGEDLO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000186923632 527512336 /nfs/dbraw/zinc/51/23/36/527512336.db2.gz IGYSWVJAGSBXNQ-AWEZNQCLSA-N 1 2 333.863 3.196 20 30 EGEDLO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000186923632 527512341 /nfs/dbraw/zinc/51/23/41/527512341.db2.gz IGYSWVJAGSBXNQ-AWEZNQCLSA-N 1 2 333.863 3.196 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000187130529 527530108 /nfs/dbraw/zinc/53/01/08/527530108.db2.gz CJPUAEANCIPURO-IBGZPJMESA-N 1 2 329.444 3.080 20 30 EGEDLO CCN(CC)c1ccc(CNc2ccc([N+](=O)[O-])c(C#N)c2)c[nH+]1 ZINC000165739191 528309390 /nfs/dbraw/zinc/30/93/90/528309390.db2.gz OKTBQJLPTXMQNB-UHFFFAOYSA-N 1 2 325.372 3.320 20 30 EGEDLO O=C(N[C@@H]1CSc2ccccc21)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329558865 547500625 /nfs/dbraw/zinc/50/06/25/547500625.db2.gz LOZQSSUPVOGYQW-TZMCWYRMSA-N 1 2 328.441 3.350 20 30 EGEDLO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000333617170 547538305 /nfs/dbraw/zinc/53/83/05/547538305.db2.gz PBIIUYXPNUKJKU-COLVAYQJSA-N 1 2 338.238 3.381 20 30 EGEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)CC(C)(C)C)CC2)cc1 ZINC000678137274 549406755 /nfs/dbraw/zinc/40/67/55/549406755.db2.gz KRJUPUDFVYQUOS-UHFFFAOYSA-N 1 2 330.472 3.332 20 30 EGEDLO C#Cc1cccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000726479857 574558287 /nfs/dbraw/zinc/55/82/87/574558287.db2.gz AMJAGTSSWTYMCL-UHFFFAOYSA-N 1 2 332.432 3.340 20 30 EGEDLO C=CC[N@H+](CN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O)C(C)C ZINC000727420319 574666259 /nfs/dbraw/zinc/66/62/59/574666259.db2.gz KORZESOUKTXELC-HNNXBMFYSA-N 1 2 341.864 3.022 20 30 EGEDLO C=CC[N@@H+](CN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O)C(C)C ZINC000727420319 574666261 /nfs/dbraw/zinc/66/62/61/574666261.db2.gz KORZESOUKTXELC-HNNXBMFYSA-N 1 2 341.864 3.022 20 30 EGEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000728570008 574758887 /nfs/dbraw/zinc/75/88/87/574758887.db2.gz SCEVDEHADKEXKP-UHFFFAOYSA-N 1 2 343.446 3.358 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc(-c2cccc(Cl)c2)cs1 ZINC000730276556 574965196 /nfs/dbraw/zinc/96/51/96/574965196.db2.gz NAXXRUIDWNBERW-HNNXBMFYSA-N 1 2 345.855 3.500 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc(-c2cccc(Cl)c2)cs1 ZINC000730276556 574965198 /nfs/dbraw/zinc/96/51/98/574965198.db2.gz NAXXRUIDWNBERW-HNNXBMFYSA-N 1 2 345.855 3.500 20 30 EGEDLO C=CC1CC[NH+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 ZINC000732206281 575244708 /nfs/dbraw/zinc/24/47/08/575244708.db2.gz XGYJZYQQEBWMGW-CQSZACIVSA-N 1 2 325.437 3.371 20 30 EGEDLO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cn(-c3ccccc3)nn2)c1 ZINC000733800106 575398100 /nfs/dbraw/zinc/39/81/00/575398100.db2.gz HZIYXPUTSIKGKR-IBGZPJMESA-N 1 2 347.422 3.238 20 30 EGEDLO C=CCOc1ccc(C=CC(=O)Nc2cc[nH+]cc2CC)cc1OC ZINC000733874992 575405940 /nfs/dbraw/zinc/40/59/40/575405940.db2.gz NJIZEFRRDUSCTQ-VQHVLOKHSA-N 1 2 338.407 3.291 20 30 EGEDLO C=CC[C@@H](NC(=O)NCc1[nH+]cc(C)c(OC)c1C)c1ccncc1 ZINC000734663514 575533922 /nfs/dbraw/zinc/53/39/22/575533922.db2.gz ORTVAONELGQWDZ-MRXNPFEDSA-N 1 2 340.427 3.219 20 30 EGEDLO C=CCSc1nc2ccccc2n1C[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000736593844 575988097 /nfs/dbraw/zinc/98/80/97/575988097.db2.gz IBQLQIYLUZAQNL-UDFDBXRZSA-N 1 2 349.525 3.113 20 30 EGEDLO C=CCSc1nc2ccccc2n1C[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000736593844 575988098 /nfs/dbraw/zinc/98/80/98/575988098.db2.gz IBQLQIYLUZAQNL-UDFDBXRZSA-N 1 2 349.525 3.113 20 30 EGEDLO CCN(CC)c1ccc(C=[NH+]Nc2cn[nH]c(=O)c2Cl)cc1F ZINC000739413312 576409050 /nfs/dbraw/zinc/40/90/50/576409050.db2.gz OIIPCMLFDROZRF-UHFFFAOYSA-N 1 2 337.786 3.267 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c1=S ZINC000740861428 576630910 /nfs/dbraw/zinc/63/09/10/576630910.db2.gz OALQPKLRPQXHQD-KBPBESRZSA-N 1 2 329.473 3.350 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+]2C[C@@H](C)C[C@@H]2C)c1=S ZINC000740861428 576630911 /nfs/dbraw/zinc/63/09/11/576630911.db2.gz OALQPKLRPQXHQD-KBPBESRZSA-N 1 2 329.473 3.350 20 30 EGEDLO C#CCOc1cc(F)ccc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000741636742 576706920 /nfs/dbraw/zinc/70/69/20/576706920.db2.gz SPJWVRINEOHUSZ-UHFFFAOYSA-N 1 2 349.365 3.335 20 30 EGEDLO Cc1nc(Cl)cc(N[NH+]=Cc2ccc(N(C)CCC#N)cc2)n1 ZINC000741765845 576718426 /nfs/dbraw/zinc/71/84/26/576718426.db2.gz JTGPLDAUOMABHG-UHFFFAOYSA-N 1 2 328.807 3.234 20 30 EGEDLO CCOCCCO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000742356379 576772249 /nfs/dbraw/zinc/77/22/49/576772249.db2.gz BOZFUUVCFMTREY-UHFFFAOYSA-N 1 2 328.412 3.329 20 30 EGEDLO C=CC[N@H+](CCc1ccccc1)CN1C(=O)CN(c2ccccc2)C1=O ZINC000744153941 576821640 /nfs/dbraw/zinc/82/16/40/576821640.db2.gz RYVGXKVWYJBJFF-UHFFFAOYSA-N 1 2 349.434 3.143 20 30 EGEDLO C=CC[N@@H+](CCc1ccccc1)CN1C(=O)CN(c2ccccc2)C1=O ZINC000744153941 576821641 /nfs/dbraw/zinc/82/16/41/576821641.db2.gz RYVGXKVWYJBJFF-UHFFFAOYSA-N 1 2 349.434 3.143 20 30 EGEDLO C#CC[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)Cc1ccc(F)cc1 ZINC000744208712 576823032 /nfs/dbraw/zinc/82/30/32/576823032.db2.gz DGIRSKCFSURCRK-UYAOXDASSA-N 1 2 342.458 3.442 20 30 EGEDLO C#CC[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)Cc1ccc(F)cc1 ZINC000744208712 576823033 /nfs/dbraw/zinc/82/30/33/576823033.db2.gz DGIRSKCFSURCRK-UYAOXDASSA-N 1 2 342.458 3.442 20 30 EGEDLO COCC[N@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)Cc1ccco1 ZINC000877958018 1299668032 /nfs/dbraw/zinc/66/80/32/1299668032.db2.gz QIQPELNBGWLRBC-HXUWFJFHSA-N 1 2 340.423 3.169 20 30 EGEDLO COCC[N@@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)Cc1ccco1 ZINC000877958018 1299668045 /nfs/dbraw/zinc/66/80/45/1299668045.db2.gz QIQPELNBGWLRBC-HXUWFJFHSA-N 1 2 340.423 3.169 20 30 EGEDLO C=CCn1c2ccccc2n(C[NH+]2CCC3(CC2)OCCO3)c1=S ZINC000026611538 1291277162 /nfs/dbraw/zinc/27/71/62/1291277162.db2.gz BELUCZVOKLQBAM-UHFFFAOYSA-N 1 2 345.468 3.155 20 30 EGEDLO COc1ccc(CC(N)=[NH+]OCc2cccc(OC(F)F)c2)cc1 ZINC000050957240 1291660343 /nfs/dbraw/zinc/66/03/43/1291660343.db2.gz NGHHGEBKKUPHHB-UHFFFAOYSA-N 1 2 336.338 3.328 20 30 EGEDLO COc1ccc(C(N)=[NH+]OCc2coc(-c3ccc(C)cc3)n2)cc1 ZINC000054230853 1291746154 /nfs/dbraw/zinc/74/61/54/1291746154.db2.gz RAFXERMDTSWQOH-UHFFFAOYSA-N 1 2 337.379 3.496 20 30 EGEDLO NC(=[NH+]OCc1cccc(C(=O)N2CCCCC2)c1)c1ccccc1 ZINC000055044153 1291774490 /nfs/dbraw/zinc/77/44/90/1291774490.db2.gz VDJUMDQRUHCQSU-UHFFFAOYSA-N 1 2 337.423 3.150 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3ccnc(F)c3)CC2)c(Cl)c1 ZINC000831463669 1292868852 /nfs/dbraw/zinc/86/88/52/1292868852.db2.gz ZVAJPKZDDCHGSJ-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3cccc(F)c3C#N)[C@@H]2C1 ZINC000832601764 1293025645 /nfs/dbraw/zinc/02/56/45/1293025645.db2.gz QWPASVCHYLUPAD-WMLDXEAASA-N 1 2 345.418 3.139 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3cccc(F)c3C#N)[C@@H]2C1 ZINC000832601764 1293025655 /nfs/dbraw/zinc/02/56/55/1293025655.db2.gz QWPASVCHYLUPAD-WMLDXEAASA-N 1 2 345.418 3.139 20 30 EGEDLO C=CCOc1ccc(C(=O)Nc2ccc(C)[nH+]c2N(C)C)cc1OC ZINC000122813904 1293425570 /nfs/dbraw/zinc/42/55/70/1293425570.db2.gz MCHITSMVLAJGPZ-UHFFFAOYSA-N 1 2 341.411 3.282 20 30 EGEDLO Cc1cccn2c(/C=C/C(=O)c3ccc4c(c3)CCC(=O)N4C)c[nH+]c12 ZINC000162734162 1294320956 /nfs/dbraw/zinc/32/09/56/1294320956.db2.gz XAFZEUKKGLVVLX-VQHVLOKHSA-N 1 2 345.402 3.448 20 30 EGEDLO C#CCCCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000176655952 1294620810 /nfs/dbraw/zinc/62/08/10/1294620810.db2.gz UQNXFAWOLTZYPV-MRXNPFEDSA-N 1 2 349.272 3.116 20 30 EGEDLO Oc1ccc(Br)cc1/C=N/Cc1ccn2cc[nH+]c2c1 ZINC000177694512 1294688120 /nfs/dbraw/zinc/68/81/20/1294688120.db2.gz NFNVYPDFMMTDAH-LICLKQGHSA-N 1 2 330.185 3.422 20 30 EGEDLO C=CCOc1ccccc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000194446062 1295977823 /nfs/dbraw/zinc/97/78/23/1295977823.db2.gz IMLPSMZNFUOMRI-UHFFFAOYSA-N 1 2 333.391 3.367 20 30 EGEDLO CCCCCCCS(=O)(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000195149085 1296040909 /nfs/dbraw/zinc/04/09/09/1296040909.db2.gz VUMPTWADCRPPED-UHFFFAOYSA-N 1 2 335.473 3.262 20 30 EGEDLO CN1C(=O)CCc2cc(C(=O)/C=C\c3c[nH+]c4ccccn34)ccc21 ZINC000255111303 1296498603 /nfs/dbraw/zinc/49/86/03/1296498603.db2.gz GEQBIWUECKWJSV-CLFYSBASSA-N 1 2 331.375 3.139 20 30 EGEDLO COc1cc(C(=O)/C=C\c2cccc3[nH+]ccn32)cc(OC)c1OC ZINC000255871814 1296573529 /nfs/dbraw/zinc/57/35/29/1296573529.db2.gz XXRCULZKGYZYLN-FPLPWBNLSA-N 1 2 338.363 3.256 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[NH+]2C[C@H](C)[C@@H](C)C2)c1=S ZINC000751926733 1299654817 /nfs/dbraw/zinc/65/48/17/1299654817.db2.gz WGRAOCQUWWUVIJ-KBPBESRZSA-N 1 2 329.473 3.207 20 30 EGEDLO C=CC[N@H+](Cc1ccccc1)CN1C[C@@](C)(c2ccccn2)CC1=O ZINC000758202894 1300811859 /nfs/dbraw/zinc/81/18/59/1300811859.db2.gz BFTKHBKXCHBWDL-NRFANRHFSA-N 1 2 335.451 3.217 20 30 EGEDLO C=CC[N@@H+](Cc1ccccc1)CN1C[C@@](C)(c2ccccn2)CC1=O ZINC000758202894 1300811875 /nfs/dbraw/zinc/81/18/75/1300811875.db2.gz BFTKHBKXCHBWDL-NRFANRHFSA-N 1 2 335.451 3.217 20 30 EGEDLO N#Cc1cccn(C[N@@H+](Cc2cc(F)ccc2F)C2CCCC2)c1=O ZINC000758234521 1300824337 /nfs/dbraw/zinc/82/43/37/1300824337.db2.gz CNCQIXHDXDXADK-UHFFFAOYSA-N 1 2 343.377 3.400 20 30 EGEDLO N#Cc1cccn(C[N@H+](Cc2cc(F)ccc2F)C2CCCC2)c1=O ZINC000758234521 1300824353 /nfs/dbraw/zinc/82/43/53/1300824353.db2.gz CNCQIXHDXDXADK-UHFFFAOYSA-N 1 2 343.377 3.400 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](C)[C@H](C)C(C)(C)C)c1=S ZINC000764877576 1302157800 /nfs/dbraw/zinc/15/78/00/1302157800.db2.gz GOJNBDINQNNUNN-CYBMUJFWSA-N 1 2 346.504 3.381 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](C)[C@H](C)C(C)(C)C)c1=S ZINC000764877576 1302157808 /nfs/dbraw/zinc/15/78/08/1302157808.db2.gz GOJNBDINQNNUNN-CYBMUJFWSA-N 1 2 346.504 3.381 20 30 EGEDLO C=CCn1c(COc2ccccc2)nn(C[N@H+]2CC[C@H](C)C2)c1=S ZINC000764963487 1302178544 /nfs/dbraw/zinc/17/85/44/1302178544.db2.gz OGPZXEBOGYYBNY-HNNXBMFYSA-N 1 2 344.484 3.478 20 30 EGEDLO C=CCn1c(COc2ccccc2)nn(C[N@@H+]2CC[C@H](C)C2)c1=S ZINC000764963487 1302178550 /nfs/dbraw/zinc/17/85/50/1302178550.db2.gz OGPZXEBOGYYBNY-HNNXBMFYSA-N 1 2 344.484 3.478 20 30 EGEDLO CC(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1cc(Cl)c(Cl)cc1O ZINC000766028854 1302373490 /nfs/dbraw/zinc/37/34/90/1302373490.db2.gz IEAVCEJYBWLWSM-BETUJISGSA-N 1 2 341.242 3.283 20 30 EGEDLO COc1ccc(N=NCc2ccc(-n3cc[nH+]c3)cc2)c([N+](=O)[O-])c1 ZINC000767801319 1302765769 /nfs/dbraw/zinc/76/57/69/1302765769.db2.gz JVGJOQKBBZDRRV-UHFFFAOYSA-N 1 2 337.339 3.235 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000768077125 1302817507 /nfs/dbraw/zinc/81/75/07/1302817507.db2.gz FAGJSQOMOZSOJF-FPOVZHCZSA-N 1 2 330.431 3.263 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000768077125 1302817515 /nfs/dbraw/zinc/81/75/15/1302817515.db2.gz FAGJSQOMOZSOJF-FPOVZHCZSA-N 1 2 330.431 3.263 20 30 EGEDLO N#Cc1cccc(OCc2cccc(C(=O)OCCn3cc[nH+]c3)c2)c1 ZINC000771964403 1303467653 /nfs/dbraw/zinc/46/76/53/1303467653.db2.gz HPBYFAGQLFOLHL-UHFFFAOYSA-N 1 2 347.374 3.191 20 30 EGEDLO C=CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000886770951 1303592287 /nfs/dbraw/zinc/59/22/87/1303592287.db2.gz ANHQVQCBUGJCTI-AWEZNQCLSA-N 1 2 336.863 3.378 20 30 EGEDLO C=CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2nc3ccccc3s2)CC1 ZINC000886774653 1303594739 /nfs/dbraw/zinc/59/47/39/1303594739.db2.gz SGSOQECQHRXZDL-ZDUSSCGKSA-N 1 2 345.468 3.026 20 30 EGEDLO Oc1c(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)cc(Cl)c2ccccc12 ZINC000774584725 1303831732 /nfs/dbraw/zinc/83/17/32/1303831732.db2.gz APHIAHAAIICHOX-IYBDPMFKSA-N 1 2 342.830 3.393 20 30 EGEDLO CCCCCCCCc1nnc(NC(=O)Cc2c[nH+]cn2C)s1 ZINC000776328586 1304134910 /nfs/dbraw/zinc/13/49/10/1304134910.db2.gz VNUAWEJOQFOOEQ-UHFFFAOYSA-N 1 2 335.477 3.356 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)CN1C[C@](C)(c2ccccc2)CC1=O ZINC000777537966 1304311684 /nfs/dbraw/zinc/31/16/84/1304311684.db2.gz JAZWNJGCUXVCII-OAQYLSRUSA-N 1 2 338.451 3.458 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)CN1C[C@](C)(c2ccccc2)CC1=O ZINC000777537966 1304311691 /nfs/dbraw/zinc/31/16/91/1304311691.db2.gz JAZWNJGCUXVCII-OAQYLSRUSA-N 1 2 338.451 3.458 20 30 EGEDLO CCc1ccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)s1 ZINC000779340343 1304559153 /nfs/dbraw/zinc/55/91/53/1304559153.db2.gz IRLSIBPYMICSLQ-DOMZBBRYSA-N 1 2 335.473 3.159 20 30 EGEDLO CC(=[NH+]Nc1ccc2n[nH]cc2c1)c1cccc(N2CCOCC2)c1 ZINC000779819341 1304608986 /nfs/dbraw/zinc/60/89/86/1304608986.db2.gz RXDRQLFKMKEUHI-UHFFFAOYSA-N 1 2 335.411 3.236 20 30 EGEDLO N#Cc1cc(F)ccc1CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782947930 1305027782 /nfs/dbraw/zinc/02/77/82/1305027782.db2.gz GJGXJWOACWJCCE-UHFFFAOYSA-N 1 2 348.175 3.297 20 30 EGEDLO N#Cc1ccccc1/C=C/C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000783487545 1305098033 /nfs/dbraw/zinc/09/80/33/1305098033.db2.gz UBVUOLCNTXVELH-BQYQJAHWSA-N 1 2 348.450 3.487 20 30 EGEDLO N#CCc1ccc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000784163102 1305199574 /nfs/dbraw/zinc/19/95/74/1305199574.db2.gz ZSXNYUITOWJBDG-ZWKOTPCHSA-N 1 2 342.464 3.139 20 30 EGEDLO N#CCc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000784163102 1305199579 /nfs/dbraw/zinc/19/95/79/1305199579.db2.gz ZSXNYUITOWJBDG-ZWKOTPCHSA-N 1 2 342.464 3.139 20 30 EGEDLO CCc1cc(NCc2nc(-c3cccc(C#N)c3)c[nH]2)nc(CC)[nH+]1 ZINC000893083941 1305696995 /nfs/dbraw/zinc/69/69/95/1305696995.db2.gz PUTWYUFPULFMAR-UHFFFAOYSA-N 1 2 332.411 3.475 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000787268722 1305723006 /nfs/dbraw/zinc/72/30/06/1305723006.db2.gz HWQDJXPDTZDLRQ-HNNXBMFYSA-N 1 2 349.434 3.256 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000787268722 1305723016 /nfs/dbraw/zinc/72/30/16/1305723016.db2.gz HWQDJXPDTZDLRQ-HNNXBMFYSA-N 1 2 349.434 3.256 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000790931858 1308888911 /nfs/dbraw/zinc/88/89/11/1308888911.db2.gz LTCSVUPYIKTEFA-YZVOILCLSA-N 1 2 349.858 3.120 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000790931858 1308888916 /nfs/dbraw/zinc/88/89/16/1308888916.db2.gz LTCSVUPYIKTEFA-YZVOILCLSA-N 1 2 349.858 3.120 20 30 EGEDLO N#CCCCn1cc(C(=O)OCc2cc[nH+]c(N)c2)c2ccccc21 ZINC000792186576 1309138057 /nfs/dbraw/zinc/13/80/57/1309138057.db2.gz RDZVKTVCDCGWFK-UHFFFAOYSA-N 1 2 334.379 3.279 20 30 EGEDLO Cc1ccc([C@H]2CC[N@@H+](Cn3nc(CC#N)n(C)c3=S)C2)c(C)c1 ZINC000794654430 1309565283 /nfs/dbraw/zinc/56/52/83/1309565283.db2.gz HABRBWCFIQMGOL-HNNXBMFYSA-N 1 2 341.484 3.081 20 30 EGEDLO Cc1ccc([C@H]2CC[N@H+](Cn3nc(CC#N)n(C)c3=S)C2)c(C)c1 ZINC000794654430 1309565292 /nfs/dbraw/zinc/56/52/92/1309565292.db2.gz HABRBWCFIQMGOL-HNNXBMFYSA-N 1 2 341.484 3.081 20 30 EGEDLO COc1cc2c(cc1OC)C(=O)/C(=C\c1c[nH+]c3c(C)cccn13)C2 ZINC000794960724 1309633313 /nfs/dbraw/zinc/63/33/13/1309633313.db2.gz GTFJIJBFIRMJLA-ZSOIEALJSA-N 1 2 334.375 3.482 20 30 EGEDLO COC(=O)c1cccc(Cl)c1CO[NH+]=C(N)c1ccc(F)cc1 ZINC000795204187 1309695486 /nfs/dbraw/zinc/69/54/86/1309695486.db2.gz XLKNLDQMUQFYFU-UHFFFAOYSA-N 1 2 336.750 3.103 20 30 EGEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000796294730 1309955715 /nfs/dbraw/zinc/95/57/15/1309955715.db2.gz MEUYLFGWVOSMCS-CQSZACIVSA-N 1 2 346.736 3.139 20 30 EGEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000796294730 1309955717 /nfs/dbraw/zinc/95/57/17/1309955717.db2.gz MEUYLFGWVOSMCS-CQSZACIVSA-N 1 2 346.736 3.139 20 30 EGEDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000796743717 1310078377 /nfs/dbraw/zinc/07/83/77/1310078377.db2.gz KLNYPXWGVVQSMW-UHFFFAOYSA-N 1 2 341.789 3.013 20 30 EGEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000796743717 1310078385 /nfs/dbraw/zinc/07/83/85/1310078385.db2.gz KLNYPXWGVVQSMW-UHFFFAOYSA-N 1 2 341.789 3.013 20 30 EGEDLO Cc1cc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(C)s1 ZINC000798274638 1310332952 /nfs/dbraw/zinc/33/29/52/1310332952.db2.gz HVIBFWUUGFVGFB-GJZGRUSLSA-N 1 2 335.473 3.214 20 30 EGEDLO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(C)c1 ZINC000798275690 1310333235 /nfs/dbraw/zinc/33/32/35/1310333235.db2.gz TXZKQACSXJAOCM-DLBZAZTESA-N 1 2 329.444 3.152 20 30 EGEDLO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1C ZINC000798274881 1310333424 /nfs/dbraw/zinc/33/34/24/1310333424.db2.gz LKELPDKHEOTCAN-DLBZAZTESA-N 1 2 329.444 3.152 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC000798276134 1310334455 /nfs/dbraw/zinc/33/44/55/1310334455.db2.gz YPECXYKMHREPNP-FUHWJXTLSA-N 1 2 341.455 3.413 20 30 EGEDLO CCCCCCCS(=O)(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000799765846 1310613686 /nfs/dbraw/zinc/61/36/86/1310613686.db2.gz IXNWOLBWJQYQLT-UHFFFAOYSA-N 1 2 328.478 3.097 20 30 EGEDLO Cc1[nH+]c(C(C)N=Nc2ccc(Br)cc2F)cn1C ZINC000800811925 1310810320 /nfs/dbraw/zinc/81/03/20/1310810320.db2.gz OCBPIUZZCSTQKS-UHFFFAOYSA-N 1 2 325.185 3.466 20 30 EGEDLO COC(=O)c1c(F)cccc1N[NH+]=Cc1ccc2c(c1)CCN2C ZINC000800818380 1310812260 /nfs/dbraw/zinc/81/22/60/1310812260.db2.gz VKWFHSMFXFROAQ-UHFFFAOYSA-N 1 2 327.359 3.051 20 30 EGEDLO CC[N@H+](Cc1nc(COC(C)C)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000929330139 1328570099 /nfs/dbraw/zinc/57/00/99/1328570099.db2.gz CURDZGAIWQBPQV-AWEZNQCLSA-N 1 2 328.416 3.449 20 30 EGEDLO CC[N@@H+](Cc1nc(COC(C)C)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000929330139 1328570102 /nfs/dbraw/zinc/57/01/02/1328570102.db2.gz CURDZGAIWQBPQV-AWEZNQCLSA-N 1 2 328.416 3.449 20 30 EGEDLO CCOc1cccc(C=[NH+]CCCONC(=O)OC(C)(C)C)c1O ZINC000899230476 1316971086 /nfs/dbraw/zinc/97/10/86/1316971086.db2.gz IBVVOINVSFHNNU-PDGQHHTCSA-N 1 2 338.404 3.056 20 30 EGEDLO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC001018978701 1316992210 /nfs/dbraw/zinc/99/22/10/1316992210.db2.gz LJXGGFIRRMEURY-AWEZNQCLSA-N 1 2 336.867 3.014 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([NH2+][C@H](C)c2nc(CCCC)no2)C1 ZINC001019232158 1317114225 /nfs/dbraw/zinc/11/42/25/1317114225.db2.gz LYDYPIDTSHDUSJ-CABCVRRESA-N 1 2 348.491 3.266 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnoc2-c2ccccc2)C1 ZINC000957073506 1317171625 /nfs/dbraw/zinc/17/16/25/1317171625.db2.gz XHUGGRIYPPJOGB-UHFFFAOYSA-N 1 2 325.412 3.064 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(OC3CCC3)cc2)C1 ZINC000957411229 1317341842 /nfs/dbraw/zinc/34/18/42/1317341842.db2.gz SNNPQJXTCJLZJO-UHFFFAOYSA-N 1 2 328.456 3.340 20 30 EGEDLO CCc1ncc(CO[NH+]=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)o1 ZINC000902687452 1317605870 /nfs/dbraw/zinc/60/58/70/1317605870.db2.gz ISGWCEUJJHFOCD-UHFFFAOYSA-N 1 2 344.371 3.296 20 30 EGEDLO C=C[C@@H](C(=O)N1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000957743875 1317608152 /nfs/dbraw/zinc/60/81/52/1317608152.db2.gz BDMSKEBAYIALAW-OAHLLOKOSA-N 1 2 326.362 3.053 20 30 EGEDLO C=C[C@@H](C(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000957744076 1317608916 /nfs/dbraw/zinc/60/89/16/1317608916.db2.gz JUUVRVXYOSMGKG-GOSISDBHSA-N 1 2 326.465 3.362 20 30 EGEDLO Cc1ccccc1[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000957747689 1317613260 /nfs/dbraw/zinc/61/32/60/1317613260.db2.gz YYSXDFIPIBEWQC-GOSISDBHSA-N 1 2 347.462 3.315 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccc3occc3c2)[C@@H](C#N)C1 ZINC000809638934 1317854829 /nfs/dbraw/zinc/85/48/29/1317854829.db2.gz GHHBCJBRYUNNOX-HOTGVXAUSA-N 1 2 341.411 3.281 20 30 EGEDLO Cn1c[nH+]cc1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000809872581 1317911903 /nfs/dbraw/zinc/91/19/03/1317911903.db2.gz HYKMLHBETUEHOW-LJQANCHMSA-N 1 2 345.406 3.397 20 30 EGEDLO N#Cc1cccc(COC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1F ZINC000811326853 1318155418 /nfs/dbraw/zinc/15/54/18/1318155418.db2.gz VAANPBMEELFOGO-UHFFFAOYSA-N 1 2 349.365 3.228 20 30 EGEDLO C#C[C@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccc(Cl)cc1 ZINC000811882629 1318285016 /nfs/dbraw/zinc/28/50/16/1318285016.db2.gz JJPGBQIDOLLIRF-INIZCTEOSA-N 1 2 342.830 3.211 20 30 EGEDLO C=CCC[C@H]1CCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000911881770 1318775808 /nfs/dbraw/zinc/77/58/08/1318775808.db2.gz SCSHGCKPFBGWGY-KRWDZBQOSA-N 1 2 328.460 3.322 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nc2c(o1)CCCC2 ZINC000960790840 1318895599 /nfs/dbraw/zinc/89/55/99/1318895599.db2.gz NUPAYUXICFBMKL-HNNXBMFYSA-N 1 2 345.487 3.188 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1nc2c(o1)CCCC2 ZINC000960790840 1318895605 /nfs/dbraw/zinc/89/56/05/1318895605.db2.gz NUPAYUXICFBMKL-HNNXBMFYSA-N 1 2 345.487 3.188 20 30 EGEDLO N#C[C@@H]1C[N@H+](CC(c2ccccc2)c2ccccc2)CCN1C1CC1 ZINC000816511178 1319169595 /nfs/dbraw/zinc/16/95/95/1319169595.db2.gz QPWPCNHBNGBNGZ-OAQYLSRUSA-N 1 2 331.463 3.491 20 30 EGEDLO N#C[C@@H]1C[N@@H+](CC(c2ccccc2)c2ccccc2)CCN1C1CC1 ZINC000816511178 1319169602 /nfs/dbraw/zinc/16/96/02/1319169602.db2.gz QPWPCNHBNGBNGZ-OAQYLSRUSA-N 1 2 331.463 3.491 20 30 EGEDLO C#C[C@H](NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)c1ccccc1 ZINC000820604650 1319920759 /nfs/dbraw/zinc/92/07/59/1319920759.db2.gz GGWSNSOFVHJLKI-KRWDZBQOSA-N 1 2 337.423 3.223 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](CO)Cc1ccc(F)cc1 ZINC000820625030 1319923817 /nfs/dbraw/zinc/92/38/17/1319923817.db2.gz XXUOAFCUDNHKBG-KRWDZBQOSA-N 1 2 342.414 3.276 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000839549594 1320937197 /nfs/dbraw/zinc/93/71/97/1320937197.db2.gz XWYLYHDFGZSKPE-CQSZACIVSA-N 1 2 336.867 3.470 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000839549594 1320937202 /nfs/dbraw/zinc/93/72/02/1320937202.db2.gz XWYLYHDFGZSKPE-CQSZACIVSA-N 1 2 336.867 3.470 20 30 EGEDLO C=CCN1CCN(C[NH+]2CCC(c3cccc(F)c3F)CC2)C1=O ZINC000840050900 1321019832 /nfs/dbraw/zinc/01/98/32/1321019832.db2.gz AFKSDNWYHRVTTD-UHFFFAOYSA-N 1 2 335.398 3.025 20 30 EGEDLO C=CCn1c(C2CC2)nn(C[N@H+]2CC3(C[C@H]2C)CCOCC3)c1=S ZINC000842637395 1321411362 /nfs/dbraw/zinc/41/13/62/1321411362.db2.gz MGKJHZVIDGCTLQ-CQSZACIVSA-N 1 2 348.516 3.326 20 30 EGEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)c1=S ZINC000842637395 1321411365 /nfs/dbraw/zinc/41/13/65/1321411365.db2.gz MGKJHZVIDGCTLQ-CQSZACIVSA-N 1 2 348.516 3.326 20 30 EGEDLO C[C@H](CC(=O)OCc1ccc(Br)cc1C#N)n1cc[nH+]c1 ZINC000845284133 1321694066 /nfs/dbraw/zinc/69/40/66/1321694066.db2.gz LJHCTHCEWAIRLV-LLVKDONJSA-N 1 2 348.200 3.212 20 30 EGEDLO Cc1csc(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1C#N ZINC000847186783 1321850041 /nfs/dbraw/zinc/85/00/41/1321850041.db2.gz IJAPSKNYYOJRPM-LBPRGKRZSA-N 1 2 329.429 3.073 20 30 EGEDLO Cc1nn2c(nc3ccccc3c2=O)c1=C[NH2+]Nc1cccc(F)c1 ZINC000920385927 1322170936 /nfs/dbraw/zinc/17/09/36/1322170936.db2.gz LEGXXKLPRDBSPQ-UHFFFAOYSA-N 1 2 335.342 3.069 20 30 EGEDLO Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccc(C#N)s2)o1 ZINC001024318551 1323303682 /nfs/dbraw/zinc/30/36/82/1323303682.db2.gz KRAOJJIQQWNJLY-CQSZACIVSA-N 1 2 343.452 3.306 20 30 EGEDLO Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccc(C#N)s2)o1 ZINC001024318551 1323303683 /nfs/dbraw/zinc/30/36/83/1323303683.db2.gz KRAOJJIQQWNJLY-CQSZACIVSA-N 1 2 343.452 3.306 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001024326682 1323311660 /nfs/dbraw/zinc/31/16/60/1323311660.db2.gz NDJIJMMHQQYKCT-CABCVRRESA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001024326682 1323311664 /nfs/dbraw/zinc/31/16/64/1323311664.db2.gz NDJIJMMHQQYKCT-CABCVRRESA-N 1 2 341.293 3.222 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccoc2)c1 ZINC001024330994 1323316735 /nfs/dbraw/zinc/31/67/35/1323316735.db2.gz CDOLDZQBABPING-KRWDZBQOSA-N 1 2 341.386 3.075 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@H]2CNC(=O)c2ccoc2)c1 ZINC001024330994 1323316743 /nfs/dbraw/zinc/31/67/43/1323316743.db2.gz CDOLDZQBABPING-KRWDZBQOSA-N 1 2 341.386 3.075 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2c(cn1)CCCC2 ZINC001024540313 1323480324 /nfs/dbraw/zinc/48/03/24/1323480324.db2.gz BXQOZUCUMFFCCF-QGZVFWFLSA-N 1 2 347.890 3.297 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc2c(cn1)CCCC2 ZINC001024540313 1323480329 /nfs/dbraw/zinc/48/03/29/1323480329.db2.gz BXQOZUCUMFFCCF-QGZVFWFLSA-N 1 2 347.890 3.297 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC001024695368 1323611540 /nfs/dbraw/zinc/61/15/40/1323611540.db2.gz UBXWULUNGKKNHP-ULQDDVLXSA-N 1 2 340.895 3.081 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC001024695368 1323611550 /nfs/dbraw/zinc/61/15/50/1323611550.db2.gz UBXWULUNGKKNHP-ULQDDVLXSA-N 1 2 340.895 3.081 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1c[nH]nc1C(C)(C)C ZINC001024754265 1323655360 /nfs/dbraw/zinc/65/53/60/1323655360.db2.gz QIJUXHRSQFAVQZ-ZDUSSCGKSA-N 1 2 338.883 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1c[nH]nc1C(C)(C)C ZINC001024754265 1323655367 /nfs/dbraw/zinc/65/53/67/1323655367.db2.gz QIJUXHRSQFAVQZ-ZDUSSCGKSA-N 1 2 338.883 3.044 20 30 EGEDLO C=CC[N@H+](CN1C[C@@H](c2cccc(Cl)c2)CC1=O)[C@@H](C)COC ZINC000853533700 1325116531 /nfs/dbraw/zinc/11/65/31/1325116531.db2.gz AOBVAXXDTZDAQN-HOCLYGCPSA-N 1 2 336.863 3.136 20 30 EGEDLO C=CC[N@@H+](CN1C[C@@H](c2cccc(Cl)c2)CC1=O)[C@@H](C)COC ZINC000853533700 1325116539 /nfs/dbraw/zinc/11/65/39/1325116539.db2.gz AOBVAXXDTZDAQN-HOCLYGCPSA-N 1 2 336.863 3.136 20 30 EGEDLO C=CC[C@H]1CCC[N@@H+](Cn2c(=S)nc3nc(C)c(C)c(C)n32)C1 ZINC000853536590 1325116975 /nfs/dbraw/zinc/11/69/75/1325116975.db2.gz FEWIATKTINMKPY-HNNXBMFYSA-N 1 2 331.489 3.431 20 30 EGEDLO C=CC[C@H]1CCC[N@H+](Cn2c(=S)nc3nc(C)c(C)c(C)n32)C1 ZINC000853536590 1325116985 /nfs/dbraw/zinc/11/69/85/1325116985.db2.gz FEWIATKTINMKPY-HNNXBMFYSA-N 1 2 331.489 3.431 20 30 EGEDLO C#C[C@@H](CC)NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000854077318 1325209051 /nfs/dbraw/zinc/20/90/51/1325209051.db2.gz PHFGKVHLJXAPEF-KRWDZBQOSA-N 1 2 344.846 3.160 20 30 EGEDLO C#CCCCCCC(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000854412726 1325257260 /nfs/dbraw/zinc/25/72/60/1325257260.db2.gz UROYVMDJLKLSHF-UHFFFAOYSA-N 1 2 333.501 3.191 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)c2occc2C)C1 ZINC001027300106 1325442087 /nfs/dbraw/zinc/44/20/87/1325442087.db2.gz LPRHNXBHYOOTIZ-ZDUSSCGKSA-N 1 2 341.249 3.033 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)c2occc2C)C1 ZINC001027300106 1325442094 /nfs/dbraw/zinc/44/20/94/1325442094.db2.gz LPRHNXBHYOOTIZ-ZDUSSCGKSA-N 1 2 341.249 3.033 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2CC(C)(C)C2)C1 ZINC001027396277 1327613618 /nfs/dbraw/zinc/61/36/18/1327613618.db2.gz VQTRDQIRLDFJQE-CQSZACIVSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)C2CC(C)(C)C2)C1 ZINC001027396277 1327613626 /nfs/dbraw/zinc/61/36/26/1327613626.db2.gz VQTRDQIRLDFJQE-CQSZACIVSA-N 1 2 343.309 3.254 20 30 EGEDLO C[C@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)c1cccs1 ZINC000964808040 1327702815 /nfs/dbraw/zinc/70/28/15/1327702815.db2.gz RCDSNHRTWQSBLA-YOEHRIQHSA-N 1 2 339.464 3.260 20 30 EGEDLO C[C@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)c1cccs1 ZINC000964808040 1327702821 /nfs/dbraw/zinc/70/28/21/1327702821.db2.gz RCDSNHRTWQSBLA-YOEHRIQHSA-N 1 2 339.464 3.260 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)C2(C)CCCC2)C1 ZINC001027511621 1327778619 /nfs/dbraw/zinc/77/86/19/1327778619.db2.gz CXOQYHNRWHFKCL-CQSZACIVSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2(C)CCCC2)C1 ZINC001027511621 1327778613 /nfs/dbraw/zinc/77/86/13/1327778613.db2.gz CXOQYHNRWHFKCL-CQSZACIVSA-N 1 2 343.309 3.398 20 30 EGEDLO Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@H]1C ZINC000965172788 1327905338 /nfs/dbraw/zinc/90/53/38/1327905338.db2.gz CKUTUIICYSYCGX-VQIMIIECSA-N 1 2 336.435 3.080 20 30 EGEDLO Cc1ccoc1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)CC[C@H]1C ZINC000965172788 1327905345 /nfs/dbraw/zinc/90/53/45/1327905345.db2.gz CKUTUIICYSYCGX-VQIMIIECSA-N 1 2 336.435 3.080 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)C(C)C)C1 ZINC001027605958 1327962805 /nfs/dbraw/zinc/96/28/05/1327962805.db2.gz ZGTFHTYOYAFOEJ-ZIAGYGMSSA-N 1 2 331.298 3.110 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)C(C)C)C1 ZINC001027605958 1327962811 /nfs/dbraw/zinc/96/28/11/1327962811.db2.gz ZGTFHTYOYAFOEJ-ZIAGYGMSSA-N 1 2 331.298 3.110 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(F)ccc2F)C1 ZINC000966718419 1328391684 /nfs/dbraw/zinc/39/16/84/1328391684.db2.gz CUWJEVNKCYCSEN-ZUZCIYMTSA-N 1 2 328.790 3.158 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(F)ccc2F)C1 ZINC000966718419 1328391687 /nfs/dbraw/zinc/39/16/87/1328391687.db2.gz CUWJEVNKCYCSEN-ZUZCIYMTSA-N 1 2 328.790 3.158 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1oc(C(F)F)cc1C ZINC001027943442 1328417030 /nfs/dbraw/zinc/41/70/30/1328417030.db2.gz SCXMJAHFWPDUAX-LLVKDONJSA-N 1 2 332.778 3.472 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1oc(C(F)F)cc1C ZINC001027943442 1328417033 /nfs/dbraw/zinc/41/70/33/1328417033.db2.gz SCXMJAHFWPDUAX-LLVKDONJSA-N 1 2 332.778 3.472 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(F)c(C)cc1F ZINC001027949772 1328420185 /nfs/dbraw/zinc/42/01/85/1328420185.db2.gz YIIZNRZXMJQXIM-GFCCVEGCSA-N 1 2 328.790 3.220 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)c(C)cc1F ZINC001027949772 1328420188 /nfs/dbraw/zinc/42/01/88/1328420188.db2.gz YIIZNRZXMJQXIM-GFCCVEGCSA-N 1 2 328.790 3.220 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2nccc3ccsc32)C1 ZINC000966839643 1328435736 /nfs/dbraw/zinc/43/57/36/1328435736.db2.gz DGBQXHCMJLHIOA-FZMZJTMJSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2nccc3ccsc32)C1 ZINC000966839643 1328435738 /nfs/dbraw/zinc/43/57/38/1328435738.db2.gz DGBQXHCMJLHIOA-FZMZJTMJSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1n[nH]c2ccc(C)cc21 ZINC001027995305 1328462085 /nfs/dbraw/zinc/46/20/85/1328462085.db2.gz KUGDEZMMCQXITJ-HNNXBMFYSA-N 1 2 326.444 3.032 20 30 EGEDLO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1n[nH]c2ccc(C)cc21 ZINC001027995305 1328462090 /nfs/dbraw/zinc/46/20/90/1328462090.db2.gz KUGDEZMMCQXITJ-HNNXBMFYSA-N 1 2 326.444 3.032 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)[C@@H](C#N)C1 ZINC000862324913 1329475334 /nfs/dbraw/zinc/47/53/34/1329475334.db2.gz YBRVCAOTFGXZRT-RDJZCZTQSA-N 1 2 340.427 3.017 20 30 EGEDLO CC(C)(C)NC(=O)[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000932441302 1329815021 /nfs/dbraw/zinc/81/50/21/1329815021.db2.gz WRAACSUVTSWSND-OAHLLOKOSA-N 1 2 349.862 3.121 20 30 EGEDLO CC(C)(C)NC(=O)[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000932441302 1329815023 /nfs/dbraw/zinc/81/50/23/1329815023.db2.gz WRAACSUVTSWSND-OAHLLOKOSA-N 1 2 349.862 3.121 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2(C)CCC2)C(C)(C)C1 ZINC000940949969 1331267582 /nfs/dbraw/zinc/26/75/82/1331267582.db2.gz BJIJRXDYWAEMMZ-ZDUSSCGKSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2(C)CCC2)C(C)(C)C1 ZINC000940949969 1331267588 /nfs/dbraw/zinc/26/75/88/1331267588.db2.gz BJIJRXDYWAEMMZ-ZDUSSCGKSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3ncc(C4CC4)o3)C[C@@H]2C)C1 ZINC000942602192 1331998975 /nfs/dbraw/zinc/99/89/75/1331998975.db2.gz FNGXKVYZOOVASL-GOEBONIOSA-N 1 2 343.471 3.235 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3ncc(C4CC4)o3)C[C@@H]2C)C1 ZINC000942602192 1331998981 /nfs/dbraw/zinc/99/89/81/1331998981.db2.gz FNGXKVYZOOVASL-GOEBONIOSA-N 1 2 343.471 3.235 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)c2ccco2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000946991144 1332957687 /nfs/dbraw/zinc/95/76/87/1332957687.db2.gz LSANUPDYSPSJGJ-CXAGYDPISA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)c2ccco2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000946991144 1332957689 /nfs/dbraw/zinc/95/76/89/1332957689.db2.gz LSANUPDYSPSJGJ-CXAGYDPISA-N 1 2 341.386 3.073 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC(CCNc3cc[nH+]c(C)n3)CC2)C1 ZINC001063336375 1351822019 /nfs/dbraw/zinc/82/20/19/1351822019.db2.gz QTTWDHCRLFQLEA-UHFFFAOYSA-N 1 2 328.460 3.182 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2cocc2C)C[C@@H]1C ZINC000947624029 1333197401 /nfs/dbraw/zinc/19/74/01/1333197401.db2.gz GFWXTFLAFAFUHD-QWHCGFSZSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2cocc2C)C[C@@H]1C ZINC000947624029 1333197403 /nfs/dbraw/zinc/19/74/03/1333197403.db2.gz GFWXTFLAFAFUHD-QWHCGFSZSA-N 1 2 341.249 3.079 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1c(C)oc(C)c1C ZINC000948936695 1333741405 /nfs/dbraw/zinc/74/14/05/1333741405.db2.gz XWRGETUCSRSNCF-LJQANCHMSA-N 1 2 336.435 3.167 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1c(C)oc(C)c1C ZINC000948936695 1333741407 /nfs/dbraw/zinc/74/14/07/1333741407.db2.gz XWRGETUCSRSNCF-LJQANCHMSA-N 1 2 336.435 3.167 20 30 EGEDLO C=C(C)C[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1nccs1 ZINC000948974881 1333752874 /nfs/dbraw/zinc/75/28/74/1333752874.db2.gz NOYJOHJZRROODW-INIZCTEOSA-N 1 2 327.453 3.048 20 30 EGEDLO C=C(C)C[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1nccs1 ZINC000948974881 1333752876 /nfs/dbraw/zinc/75/28/76/1333752876.db2.gz NOYJOHJZRROODW-INIZCTEOSA-N 1 2 327.453 3.048 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccoc1CCC ZINC000948978321 1333755014 /nfs/dbraw/zinc/75/50/14/1333755014.db2.gz JPPRXESASGSVNF-IBGZPJMESA-N 1 2 336.435 3.195 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccoc1CCC ZINC000948978321 1333755016 /nfs/dbraw/zinc/75/50/16/1333755016.db2.gz JPPRXESASGSVNF-IBGZPJMESA-N 1 2 336.435 3.195 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](C[C@H](O)c2ccc(CC)cc2)CC1 ZINC000949627602 1333885438 /nfs/dbraw/zinc/88/54/38/1333885438.db2.gz KEHPUIUHVSBGEF-IBGZPJMESA-N 1 2 344.499 3.029 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC000949667130 1333892845 /nfs/dbraw/zinc/89/28/45/1333892845.db2.gz MVDGUTMDZIOKFQ-UHFFFAOYSA-N 1 2 336.863 3.075 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC000950039029 1333998337 /nfs/dbraw/zinc/99/83/37/1333998337.db2.gz MNWPDNMTHJENRT-LJQANCHMSA-N 1 2 336.426 3.254 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](CCOc2c(C)cccc2C)CC1 ZINC000950051709 1334003440 /nfs/dbraw/zinc/00/34/40/1334003440.db2.gz RLVJKFPXTLIOQJ-OAQYLSRUSA-N 1 2 344.499 3.429 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cccc(C(F)F)c2F)C1 ZINC000950330421 1334043147 /nfs/dbraw/zinc/04/31/47/1334043147.db2.gz FUEBCGVTRKCQOG-UHFFFAOYSA-N 1 2 326.362 3.486 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[NH+]([C@H]3CCc4c3cccc4F)CC2)C1 ZINC000950373193 1334053282 /nfs/dbraw/zinc/05/32/82/1334053282.db2.gz KPLMNOGDCLWKBP-SFHVURJKSA-N 1 2 328.431 3.314 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[NH+](CCOc3cc(C)ccc3C)CC2)C1 ZINC000950373103 1334053315 /nfs/dbraw/zinc/05/33/15/1334053315.db2.gz FRMWXTFBWXCYNT-UHFFFAOYSA-N 1 2 342.483 3.183 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC000950537021 1334085903 /nfs/dbraw/zinc/08/59/03/1334085903.db2.gz OPEAGFHMTOLIOT-UXHICEINSA-N 1 2 342.483 3.263 20 30 EGEDLO C=C(C)CC[NH+]1CC(N(CC)C(=O)c2n[nH]c(C3CC3)c2Cl)C1 ZINC000950721337 1334121964 /nfs/dbraw/zinc/12/19/64/1334121964.db2.gz WCMJPLKMPPCCBG-UHFFFAOYSA-N 1 2 336.867 3.053 20 30 EGEDLO C=C(C)CC[NH+]1CC(N(CC)C(=O)c2cnc([C@@H]3CCCO3)s2)C1 ZINC000952426949 1334455455 /nfs/dbraw/zinc/45/54/55/1334455455.db2.gz GZMLBUIEYQYJCR-HNNXBMFYSA-N 1 2 349.500 3.107 20 30 EGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(CC)C1C[NH+](Cc2ccccc2)C1 ZINC000952429528 1334456292 /nfs/dbraw/zinc/45/62/92/1334456292.db2.gz QUWGQOLAOIYMEV-PMACEKPBSA-N 1 2 342.483 3.091 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(F)c(F)c2F)C1 ZINC000968082456 1335854893 /nfs/dbraw/zinc/85/48/93/1335854893.db2.gz UHEDVBCBVRYJFR-TVQRCGJNSA-N 1 2 346.780 3.297 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(F)c(F)c2F)C1 ZINC000968082456 1335854895 /nfs/dbraw/zinc/85/48/95/1335854895.db2.gz UHEDVBCBVRYJFR-TVQRCGJNSA-N 1 2 346.780 3.297 20 30 EGEDLO C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)C(C)(C)C ZINC000968574871 1335966862 /nfs/dbraw/zinc/96/68/62/1335966862.db2.gz OLCLUJDJFJBRMA-GUYCJALGSA-N 1 2 331.435 3.070 20 30 EGEDLO C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)C(C)(C)C ZINC000968574871 1335966866 /nfs/dbraw/zinc/96/68/66/1335966866.db2.gz OLCLUJDJFJBRMA-GUYCJALGSA-N 1 2 331.435 3.070 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cncc3ccccc32)C1 ZINC000968678269 1336007379 /nfs/dbraw/zinc/00/73/79/1336007379.db2.gz PHMHIXRUIJYYRN-SCLBCKFNSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cncc3ccccc32)C1 ZINC000968678269 1336007381 /nfs/dbraw/zinc/00/73/81/1336007381.db2.gz PHMHIXRUIJYYRN-SCLBCKFNSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc3c2CCC3)C1 ZINC000968695261 1336015212 /nfs/dbraw/zinc/01/52/12/1336015212.db2.gz KWDLWIMPDZQJFK-UGSOOPFHSA-N 1 2 332.875 3.368 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc3c2CCC3)C1 ZINC000968695261 1336015213 /nfs/dbraw/zinc/01/52/13/1336015213.db2.gz KWDLWIMPDZQJFK-UGSOOPFHSA-N 1 2 332.875 3.368 20 30 EGEDLO C[C@H](NC(=O)C1CC(C)C1)C1C[NH+](CC#Cc2ccccc2Cl)C1 ZINC000969479889 1336217153 /nfs/dbraw/zinc/21/71/53/1336217153.db2.gz PEBFYMRPUNYUMK-CKDBGZEDSA-N 1 2 344.886 3.174 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnc(-c3ccccc3)o2)C1 ZINC000969908603 1336259281 /nfs/dbraw/zinc/25/92/81/1336259281.db2.gz SYBHMTOUCNLYHA-CYBMUJFWSA-N 1 2 345.830 3.144 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(F)cc3ccoc32)C1 ZINC000970005843 1336271066 /nfs/dbraw/zinc/27/10/66/1336271066.db2.gz VVKYLVIWKXDXDE-NSHDSACASA-N 1 2 336.794 3.375 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(-c3ccco3)o2)C1 ZINC000970127991 1336282721 /nfs/dbraw/zinc/28/27/21/1336282721.db2.gz SHBIOGNLKUFLAS-GFCCVEGCSA-N 1 2 334.803 3.342 20 30 EGEDLO C[C@H](NC(=O)[C@H]1CCC1(C)C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970297433 1336293495 /nfs/dbraw/zinc/29/34/95/1336293495.db2.gz HCUVUYGQASCBLN-SUMWQHHRSA-N 1 2 343.446 3.070 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC000970569475 1336322832 /nfs/dbraw/zinc/32/28/32/1336322832.db2.gz PTIRKBLLGLSFBV-FHLIZLRMSA-N 1 2 332.875 3.288 20 30 EGEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)C1CCC1 ZINC001006525736 1336520408 /nfs/dbraw/zinc/52/04/08/1336520408.db2.gz BNHZFSMENMMDQE-GOSISDBHSA-N 1 2 330.859 3.072 20 30 EGEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)C1CCC1 ZINC001006525736 1336520411 /nfs/dbraw/zinc/52/04/11/1336520411.db2.gz BNHZFSMENMMDQE-GOSISDBHSA-N 1 2 330.859 3.072 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)C3CCCCC3)C2)c(F)c1 ZINC001006606088 1336537380 /nfs/dbraw/zinc/53/73/80/1336537380.db2.gz BVBCOMFGAJAUJE-SFHVURJKSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)C3CCCCC3)C2)c(F)c1 ZINC001006606088 1336537381 /nfs/dbraw/zinc/53/73/81/1336537381.db2.gz BVBCOMFGAJAUJE-SFHVURJKSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CC=CCC3)C2)ccc1F ZINC001006720807 1336563923 /nfs/dbraw/zinc/56/39/23/1336563923.db2.gz IRTNXWDIJIPEJI-SJLPKXTDSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3CC=CCC3)C2)ccc1F ZINC001006720807 1336563926 /nfs/dbraw/zinc/56/39/26/1336563926.db2.gz IRTNXWDIJIPEJI-SJLPKXTDSA-N 1 2 341.430 3.134 20 30 EGEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)C1CC=CC1 ZINC001006968596 1336616795 /nfs/dbraw/zinc/61/67/95/1336616795.db2.gz JIBZJRCZVNRBKC-IBGZPJMESA-N 1 2 342.870 3.238 20 30 EGEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)C1CC=CC1 ZINC001006968596 1336616798 /nfs/dbraw/zinc/61/67/98/1336616798.db2.gz JIBZJRCZVNRBKC-IBGZPJMESA-N 1 2 342.870 3.238 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)oc1C ZINC001007115106 1336645678 /nfs/dbraw/zinc/64/56/78/1336645678.db2.gz WMNISGFVRGGFEI-CQSZACIVSA-N 1 2 343.452 3.224 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)oc1C ZINC001007115106 1336645680 /nfs/dbraw/zinc/64/56/80/1336645680.db2.gz WMNISGFVRGGFEI-CQSZACIVSA-N 1 2 343.452 3.224 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2nccc3ccsc32)C1 ZINC001007536013 1336666404 /nfs/dbraw/zinc/66/64/04/1336666404.db2.gz ZNFWYFVIHRDUSV-CYBMUJFWSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2nccc3ccsc32)C1 ZINC001007536013 1336666407 /nfs/dbraw/zinc/66/64/07/1336666407.db2.gz ZNFWYFVIHRDUSV-CYBMUJFWSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(-c3cnco3)cc2)C1 ZINC001007658650 1336685040 /nfs/dbraw/zinc/68/50/40/1336685040.db2.gz XSXQFPILDTYCBU-INIZCTEOSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc(-c3cnco3)cc2)C1 ZINC001007658650 1336685041 /nfs/dbraw/zinc/68/50/41/1336685041.db2.gz XSXQFPILDTYCBU-INIZCTEOSA-N 1 2 345.830 3.288 20 30 EGEDLO CC(C)(C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1)C1CC1 ZINC001008255352 1336805242 /nfs/dbraw/zinc/80/52/42/1336805242.db2.gz MJTHZBMJTFKVOV-SFHVURJKSA-N 1 2 325.456 3.075 20 30 EGEDLO CC(C)(C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1)C1CC1 ZINC001008255352 1336805246 /nfs/dbraw/zinc/80/52/46/1336805246.db2.gz MJTHZBMJTFKVOV-SFHVURJKSA-N 1 2 325.456 3.075 20 30 EGEDLO CC1(C)CC(CC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001008283626 1336814575 /nfs/dbraw/zinc/81/45/75/1336814575.db2.gz VYIKOFADUFETMZ-IBGZPJMESA-N 1 2 339.483 3.465 20 30 EGEDLO CC1(C)CC(CC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001008283626 1336814577 /nfs/dbraw/zinc/81/45/77/1336814577.db2.gz VYIKOFADUFETMZ-IBGZPJMESA-N 1 2 339.483 3.465 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2ccc(F)cc2Cl)C1 ZINC001008411416 1336845415 /nfs/dbraw/zinc/84/54/15/1336845415.db2.gz MEYQUKDIOOEXIB-CQSZACIVSA-N 1 2 345.245 3.355 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(F)cc2Cl)C1 ZINC001008411416 1336845419 /nfs/dbraw/zinc/84/54/19/1336845419.db2.gz MEYQUKDIOOEXIB-CQSZACIVSA-N 1 2 345.245 3.355 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)C1 ZINC001008436684 1336852814 /nfs/dbraw/zinc/85/28/14/1336852814.db2.gz HAEDRACYTHXFCI-IBGZPJMESA-N 1 2 340.442 3.114 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)C1 ZINC001008436684 1336852817 /nfs/dbraw/zinc/85/28/17/1336852817.db2.gz HAEDRACYTHXFCI-IBGZPJMESA-N 1 2 340.442 3.114 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001008831120 1336931734 /nfs/dbraw/zinc/93/17/34/1336931734.db2.gz CJDJGKCAEGHAIU-RYQLBKOJSA-N 1 2 332.875 3.432 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001008831120 1336931736 /nfs/dbraw/zinc/93/17/36/1336931736.db2.gz CJDJGKCAEGHAIU-RYQLBKOJSA-N 1 2 332.875 3.432 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2OCCc3ccccc32)C1 ZINC001009262831 1336992939 /nfs/dbraw/zinc/99/29/39/1336992939.db2.gz JMBQACTZOQDFKM-AEFFLSMTSA-N 1 2 348.874 3.024 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2OCCc3ccccc32)C1 ZINC001009262831 1336992941 /nfs/dbraw/zinc/99/29/41/1336992941.db2.gz JMBQACTZOQDFKM-AEFFLSMTSA-N 1 2 348.874 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001009681082 1337059393 /nfs/dbraw/zinc/05/93/93/1337059393.db2.gz KHYOWANLBBEZTK-DOMZBBRYSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001009681082 1337059395 /nfs/dbraw/zinc/05/93/95/1337059395.db2.gz KHYOWANLBBEZTK-DOMZBBRYSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(N(C)CCC)cc2)C1 ZINC001009735282 1337067394 /nfs/dbraw/zinc/06/73/94/1337067394.db2.gz OIWSQRAYEJLYNF-QGZVFWFLSA-N 1 2 349.906 3.480 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N(C)CCC)cc2)C1 ZINC001009735282 1337067396 /nfs/dbraw/zinc/06/73/96/1337067396.db2.gz OIWSQRAYEJLYNF-QGZVFWFLSA-N 1 2 349.906 3.480 20 30 EGEDLO Cc1ccsc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001009912096 1337107743 /nfs/dbraw/zinc/10/77/43/1337107743.db2.gz RRIHSDNIGYKGKV-KRWDZBQOSA-N 1 2 342.439 3.051 20 30 EGEDLO Cc1ccsc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001009912096 1337107745 /nfs/dbraw/zinc/10/77/45/1337107745.db2.gz RRIHSDNIGYKGKV-KRWDZBQOSA-N 1 2 342.439 3.051 20 30 EGEDLO Cc1ccsc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001009946351 1337118503 /nfs/dbraw/zinc/11/85/03/1337118503.db2.gz XIAQJHVEXGOTJQ-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1ccsc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001009946351 1337118506 /nfs/dbraw/zinc/11/85/06/1337118506.db2.gz XIAQJHVEXGOTJQ-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C3CCCCCC3)C2)c(F)c1 ZINC001010366023 1337182858 /nfs/dbraw/zinc/18/28/58/1337182858.db2.gz DJNPZVMSPBCOJQ-SFHVURJKSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C3CCCCCC3)C2)c(F)c1 ZINC001010366023 1337182861 /nfs/dbraw/zinc/18/28/61/1337182861.db2.gz DJNPZVMSPBCOJQ-SFHVURJKSA-N 1 2 343.446 3.358 20 30 EGEDLO Cc1c(F)cccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001014540480 1337814354 /nfs/dbraw/zinc/81/43/54/1337814354.db2.gz NWXIBURORUYJKC-QGZVFWFLSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1c(F)cccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001014540480 1337814357 /nfs/dbraw/zinc/81/43/57/1337814357.db2.gz NWXIBURORUYJKC-QGZVFWFLSA-N 1 2 337.398 3.010 20 30 EGEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cscc1Cl ZINC001014844541 1337922001 /nfs/dbraw/zinc/92/20/01/1337922001.db2.gz HTWTZWSLXUFXDS-HNNXBMFYSA-N 1 2 344.867 3.257 20 30 EGEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cscc1Cl ZINC001014844541 1337922004 /nfs/dbraw/zinc/92/20/04/1337922004.db2.gz HTWTZWSLXUFXDS-HNNXBMFYSA-N 1 2 344.867 3.257 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC001014948706 1337963464 /nfs/dbraw/zinc/96/34/64/1337963464.db2.gz TYVSUCXTWIFOKX-JHJVBQTASA-N 1 2 336.785 3.074 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC001014948706 1337963468 /nfs/dbraw/zinc/96/34/68/1337963468.db2.gz TYVSUCXTWIFOKX-JHJVBQTASA-N 1 2 336.785 3.074 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2[nH]c3ccccc3c2Cl)C1 ZINC001015082989 1338011606 /nfs/dbraw/zinc/01/16/06/1338011606.db2.gz GMWMMTYQIVFCQB-NSHDSACASA-N 1 2 338.238 3.378 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2[nH]c3ccccc3c2Cl)C1 ZINC001015082989 1338011610 /nfs/dbraw/zinc/01/16/10/1338011610.db2.gz GMWMMTYQIVFCQB-NSHDSACASA-N 1 2 338.238 3.378 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cccc(C)c2Cl)C1 ZINC001015241827 1338068956 /nfs/dbraw/zinc/06/89/56/1338068956.db2.gz ABWYIXIAIAUEFB-AWEZNQCLSA-N 1 2 327.255 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cccc(C)c2Cl)C1 ZINC001015241827 1338068959 /nfs/dbraw/zinc/06/89/59/1338068959.db2.gz ABWYIXIAIAUEFB-AWEZNQCLSA-N 1 2 327.255 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cnc3ccccc3c2C)C1 ZINC001015313189 1338095629 /nfs/dbraw/zinc/09/56/29/1338095629.db2.gz KKBVEVYTHVIIHR-CQSZACIVSA-N 1 2 329.831 3.100 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cnc3ccccc3c2C)C1 ZINC001015313189 1338095634 /nfs/dbraw/zinc/09/56/34/1338095634.db2.gz KKBVEVYTHVIIHR-CQSZACIVSA-N 1 2 329.831 3.100 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001015659719 1338238417 /nfs/dbraw/zinc/23/84/17/1338238417.db2.gz IYGNTFNFGLPWRO-GOSISDBHSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001015659719 1338238424 /nfs/dbraw/zinc/23/84/24/1338238424.db2.gz IYGNTFNFGLPWRO-GOSISDBHSA-N 1 2 341.430 3.134 20 30 EGEDLO CC1(C)CC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001015671573 1338249443 /nfs/dbraw/zinc/24/94/43/1338249443.db2.gz YTFUKOMOQCGCSC-QAPCUYQASA-N 1 2 325.456 3.075 20 30 EGEDLO CC1(C)CC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001015671573 1338249452 /nfs/dbraw/zinc/24/94/52/1338249452.db2.gz YTFUKOMOQCGCSC-QAPCUYQASA-N 1 2 325.456 3.075 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1)c1ccsc1 ZINC001015690125 1338261592 /nfs/dbraw/zinc/26/15/92/1338261592.db2.gz QEJDOUNOKUHCCF-RDTXWAMCSA-N 1 2 339.464 3.114 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1)c1ccsc1 ZINC001015690125 1338261593 /nfs/dbraw/zinc/26/15/93/1338261593.db2.gz QEJDOUNOKUHCCF-RDTXWAMCSA-N 1 2 339.464 3.114 20 30 EGEDLO Cc1ccc(F)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001015759128 1338294147 /nfs/dbraw/zinc/29/41/47/1338294147.db2.gz NZMSYOUVFGIDJB-QGZVFWFLSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1ccc(F)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001015759128 1338294151 /nfs/dbraw/zinc/29/41/51/1338294151.db2.gz NZMSYOUVFGIDJB-QGZVFWFLSA-N 1 2 337.398 3.010 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001015827961 1338328761 /nfs/dbraw/zinc/32/87/61/1338328761.db2.gz WYLMPIRBJSSCJK-HRCADAONSA-N 1 2 339.266 3.387 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001015827961 1338328763 /nfs/dbraw/zinc/32/87/63/1338328763.db2.gz WYLMPIRBJSSCJK-HRCADAONSA-N 1 2 339.266 3.387 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)cs1 ZINC001015853781 1338334652 /nfs/dbraw/zinc/33/46/52/1338334652.db2.gz YVYGXQYDNNOTJU-INIZCTEOSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)cs1 ZINC001015853781 1338334655 /nfs/dbraw/zinc/33/46/55/1338334655.db2.gz YVYGXQYDNNOTJU-INIZCTEOSA-N 1 2 343.427 3.072 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cccc3ccccc32)C1 ZINC001016076354 1338448115 /nfs/dbraw/zinc/44/81/15/1338448115.db2.gz WYXAYJQCEKNSKM-KRWDZBQOSA-N 1 2 328.843 3.325 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cccc3ccccc32)C1 ZINC001016076354 1338448116 /nfs/dbraw/zinc/44/81/16/1338448116.db2.gz WYXAYJQCEKNSKM-KRWDZBQOSA-N 1 2 328.843 3.325 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)cc1 ZINC001016077386 1338448320 /nfs/dbraw/zinc/44/83/20/1338448320.db2.gz PUDBWMQEYGUFQD-SFHVURJKSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)cc1 ZINC001016077386 1338448321 /nfs/dbraw/zinc/44/83/21/1338448321.db2.gz PUDBWMQEYGUFQD-SFHVURJKSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)sc1C ZINC001016210900 1338509902 /nfs/dbraw/zinc/50/99/02/1338509902.db2.gz JXKFJEYTPSAARZ-QGZVFWFLSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)sc1C ZINC001016210900 1338509906 /nfs/dbraw/zinc/50/99/06/1338509906.db2.gz JXKFJEYTPSAARZ-QGZVFWFLSA-N 1 2 339.464 3.241 20 30 EGEDLO CCc1ccsc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001016328424 1338552448 /nfs/dbraw/zinc/55/24/48/1338552448.db2.gz VRMHABKRRDAONB-ZDUSSCGKSA-N 1 2 345.493 3.248 20 30 EGEDLO CCc1ccsc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001016328424 1338552449 /nfs/dbraw/zinc/55/24/49/1338552449.db2.gz VRMHABKRRDAONB-ZDUSSCGKSA-N 1 2 345.493 3.248 20 30 EGEDLO CC1(C)CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC001016363672 1338568352 /nfs/dbraw/zinc/56/83/52/1338568352.db2.gz RJTWFNDJQMXKTO-IBGZPJMESA-N 1 2 339.483 3.465 20 30 EGEDLO CC1(C)CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC001016363672 1338568355 /nfs/dbraw/zinc/56/83/55/1338568355.db2.gz RJTWFNDJQMXKTO-IBGZPJMESA-N 1 2 339.483 3.465 20 30 EGEDLO Cc1cccc(F)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001016408590 1338592230 /nfs/dbraw/zinc/59/22/30/1338592230.db2.gz LXBZPLGMODMRPS-QGZVFWFLSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cccc(F)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001016408590 1338592235 /nfs/dbraw/zinc/59/22/35/1338592235.db2.gz LXBZPLGMODMRPS-QGZVFWFLSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cccc(Cl)c1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001017542084 1339364394 /nfs/dbraw/zinc/36/43/94/1339364394.db2.gz TVPCDYPKGLCFAM-CALCHBBNSA-N 1 2 342.870 3.237 20 30 EGEDLO Cc1cccc(Cl)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001017542084 1339364395 /nfs/dbraw/zinc/36/43/95/1339364395.db2.gz TVPCDYPKGLCFAM-CALCHBBNSA-N 1 2 342.870 3.237 20 30 EGEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1scnc1C(C)(C)C ZINC001018038237 1339488652 /nfs/dbraw/zinc/48/86/52/1339488652.db2.gz OIDQTZSCZPEZJJ-OKILXGFUSA-N 1 2 333.501 3.306 20 30 EGEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1scnc1C(C)(C)C ZINC001018038237 1339488654 /nfs/dbraw/zinc/48/86/54/1339488654.db2.gz OIDQTZSCZPEZJJ-OKILXGFUSA-N 1 2 333.501 3.306 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC23CCCC3)c1 ZINC001018139820 1339512104 /nfs/dbraw/zinc/51/21/04/1339512104.db2.gz UXAQENQBKFXEDP-ZCNNSNEGSA-N 1 2 349.478 3.314 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC23CCCC3)c1 ZINC001018139820 1339512105 /nfs/dbraw/zinc/51/21/05/1339512105.db2.gz UXAQENQBKFXEDP-ZCNNSNEGSA-N 1 2 349.478 3.314 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)c2occc21 ZINC001018166752 1339519769 /nfs/dbraw/zinc/51/97/69/1339519769.db2.gz MBYJTDGPWGOISW-OKILXGFUSA-N 1 2 342.826 3.398 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)c2occc21 ZINC001018166752 1339519772 /nfs/dbraw/zinc/51/97/72/1339519772.db2.gz MBYJTDGPWGOISW-OKILXGFUSA-N 1 2 342.826 3.398 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC001018256822 1339551827 /nfs/dbraw/zinc/55/18/27/1339551827.db2.gz SRLXBDFTMLKQSP-HDICACEKSA-N 1 2 335.451 3.097 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC001018256822 1339551832 /nfs/dbraw/zinc/55/18/32/1339551832.db2.gz SRLXBDFTMLKQSP-HDICACEKSA-N 1 2 335.451 3.097 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)[C@@H](C)CO2 ZINC001028092935 1340421342 /nfs/dbraw/zinc/42/13/42/1340421342.db2.gz ZLAHPQVWAMNSMW-WFASDCNBSA-N 1 2 334.847 3.129 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)[C@@H](C)CO2 ZINC001028092935 1340421345 /nfs/dbraw/zinc/42/13/45/1340421345.db2.gz ZLAHPQVWAMNSMW-WFASDCNBSA-N 1 2 334.847 3.129 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1c(Cl)cncc1Cl ZINC001028111004 1340433682 /nfs/dbraw/zinc/43/36/82/1340433682.db2.gz MEVNJAUCEBLFFT-JTQLQIEISA-N 1 2 348.661 3.335 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1c(Cl)cncc1Cl ZINC001028111004 1340433683 /nfs/dbraw/zinc/43/36/83/1340433683.db2.gz MEVNJAUCEBLFFT-JTQLQIEISA-N 1 2 348.661 3.335 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(Cl)c1F ZINC001028110893 1340433885 /nfs/dbraw/zinc/43/38/85/1340433885.db2.gz GQXUIZTVDHGQMJ-LLVKDONJSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(Cl)c1F ZINC001028110893 1340433886 /nfs/dbraw/zinc/43/38/86/1340433886.db2.gz GQXUIZTVDHGQMJ-LLVKDONJSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2ncccc2c1 ZINC001028114941 1340437020 /nfs/dbraw/zinc/43/70/20/1340437020.db2.gz SQQVGRIGEHLTAE-INIZCTEOSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2ncccc2c1 ZINC001028114941 1340437021 /nfs/dbraw/zinc/43/70/21/1340437021.db2.gz SQQVGRIGEHLTAE-INIZCTEOSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccnc1C(F)(F)F ZINC001028165518 1340461735 /nfs/dbraw/zinc/46/17/35/1340461735.db2.gz XKRAYDPHZATMJU-LLVKDONJSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccnc1C(F)(F)F ZINC001028165518 1340461736 /nfs/dbraw/zinc/46/17/36/1340461736.db2.gz XKRAYDPHZATMJU-LLVKDONJSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1oc(C(C)C)nc1C ZINC001028189987 1340476011 /nfs/dbraw/zinc/47/60/11/1340476011.db2.gz KVYHZYVGBHWHQJ-ZDUSSCGKSA-N 1 2 325.840 3.053 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1oc(C(C)C)nc1C ZINC001028189987 1340476012 /nfs/dbraw/zinc/47/60/12/1340476012.db2.gz KVYHZYVGBHWHQJ-ZDUSSCGKSA-N 1 2 325.840 3.053 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(C(F)(F)F)ccn1 ZINC001028241527 1340503182 /nfs/dbraw/zinc/50/31/82/1340503182.db2.gz NWIDARVXBCMHAT-LBPRGKRZSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C(F)(F)F)ccn1 ZINC001028241527 1340503183 /nfs/dbraw/zinc/50/31/83/1340503183.db2.gz NWIDARVXBCMHAT-LBPRGKRZSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnn([C@H](C)CC)c1C ZINC001028253316 1340514099 /nfs/dbraw/zinc/51/40/99/1340514099.db2.gz UJWSTWZVTDZTLS-UKRRQHHQSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn([C@H](C)CC)c1C ZINC001028253316 1340514101 /nfs/dbraw/zinc/51/41/01/1340514101.db2.gz UJWSTWZVTDZTLS-UKRRQHHQSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(N(CC)CC)cc1 ZINC001028283902 1340538672 /nfs/dbraw/zinc/53/86/72/1340538672.db2.gz RXFCNYPBLVNBJR-SFHVURJKSA-N 1 2 349.906 3.480 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N(CC)CC)cc1 ZINC001028283902 1340538673 /nfs/dbraw/zinc/53/86/73/1340538673.db2.gz RXFCNYPBLVNBJR-SFHVURJKSA-N 1 2 349.906 3.480 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC001028292734 1340543338 /nfs/dbraw/zinc/54/33/38/1340543338.db2.gz VZDWCVGBUOYRCL-ZBFHGGJFSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC001028292734 1340543339 /nfs/dbraw/zinc/54/33/39/1340543339.db2.gz VZDWCVGBUOYRCL-ZBFHGGJFSA-N 1 2 339.266 3.313 20 30 EGEDLO O=C(c1cccc(F)c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029197135 1340953006 /nfs/dbraw/zinc/95/30/06/1340953006.db2.gz LRXACMYJCVDHDU-OYRHEFFESA-N 1 2 348.421 3.166 20 30 EGEDLO O=C(c1cccc(F)c1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029197135 1340953007 /nfs/dbraw/zinc/95/30/07/1340953007.db2.gz LRXACMYJCVDHDU-OYRHEFFESA-N 1 2 348.421 3.166 20 30 EGEDLO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N)C(C)(C)C ZINC001029361137 1340977575 /nfs/dbraw/zinc/97/75/75/1340977575.db2.gz QOFKAOADGDWLET-LZQZEXGQSA-N 1 2 339.483 3.416 20 30 EGEDLO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N)C(C)(C)C ZINC001029361137 1340977576 /nfs/dbraw/zinc/97/75/76/1340977576.db2.gz QOFKAOADGDWLET-LZQZEXGQSA-N 1 2 339.483 3.416 20 30 EGEDLO CC[C@]1(C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029534723 1341007084 /nfs/dbraw/zinc/00/70/84/1341007084.db2.gz PELSAKVTIZDZIQ-CUXKYVRBSA-N 1 2 336.479 3.150 20 30 EGEDLO CC[C@]1(C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029534723 1341007085 /nfs/dbraw/zinc/00/70/85/1341007085.db2.gz PELSAKVTIZDZIQ-CUXKYVRBSA-N 1 2 336.479 3.150 20 30 EGEDLO C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N)C1CC1 ZINC001029598649 1341019211 /nfs/dbraw/zinc/01/92/11/1341019211.db2.gz BXHJGQXDXVCQAC-YSGRDPCXSA-N 1 2 337.467 3.170 20 30 EGEDLO C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N)C1CC1 ZINC001029598649 1341019212 /nfs/dbraw/zinc/01/92/12/1341019212.db2.gz BXHJGQXDXVCQAC-YSGRDPCXSA-N 1 2 337.467 3.170 20 30 EGEDLO C=CCOc1ccccc1C(=O)NC1C[NH+](Cc2cccc(C)c2)C1 ZINC001030541359 1341196183 /nfs/dbraw/zinc/19/61/83/1341196183.db2.gz LQPGMOAEQUSICH-UHFFFAOYSA-N 1 2 336.435 3.174 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cccc3[nH]c(C)nc32)CC[C@H]1C ZINC001071968393 1355050386 /nfs/dbraw/zinc/05/03/86/1355050386.db2.gz UOLQSAWEXIVDHN-OCCSQVGLSA-N 1 2 346.862 3.207 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cccc3[nH]c(C)nc32)CC[C@H]1C ZINC001071968393 1355050391 /nfs/dbraw/zinc/05/03/91/1355050391.db2.gz UOLQSAWEXIVDHN-OCCSQVGLSA-N 1 2 346.862 3.207 20 30 EGEDLO C#Cc1ccc(C(=O)NC2C[NH+]([C@@H](C)c3ccc(C(C)C)cc3)C2)cn1 ZINC001031278650 1341309379 /nfs/dbraw/zinc/30/93/79/1341309379.db2.gz VBCTWFBCFYBSFD-INIZCTEOSA-N 1 2 347.462 3.362 20 30 EGEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)c1ccsc1 ZINC001031532631 1341364074 /nfs/dbraw/zinc/36/40/74/1341364074.db2.gz ASGWOBUCZBJIKA-UHFFFAOYSA-N 1 2 344.867 3.115 20 30 EGEDLO C[C@H]1CCC[C@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001031939437 1341427031 /nfs/dbraw/zinc/42/70/31/1341427031.db2.gz UARVWBVTUDQXQT-YOEHRIQHSA-N 1 2 343.446 3.072 20 30 EGEDLO CC[C@]1(C(C)C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001032085272 1341450559 /nfs/dbraw/zinc/45/05/59/1341450559.db2.gz ACGIUBYQAVWQHO-TZIWHRDSSA-N 1 2 339.483 3.179 20 30 EGEDLO CC[C@H]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)CC1 ZINC001032139775 1341461121 /nfs/dbraw/zinc/46/11/21/1341461121.db2.gz YGMCJCJTPGXERV-SAABIXHNSA-N 1 2 339.483 3.323 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCCCc3ccccc32)C1 ZINC001032210667 1341473512 /nfs/dbraw/zinc/47/35/12/1341473512.db2.gz LXNGABNCJOSASX-GOSISDBHSA-N 1 2 332.875 3.297 20 30 EGEDLO Cc1cccc(C)c1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032644599 1341568643 /nfs/dbraw/zinc/56/86/43/1341568643.db2.gz LUZRFNOCOBSBGD-PMACEKPBSA-N 1 2 345.446 3.274 20 30 EGEDLO Cc1cccc(C)c1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032644599 1341568647 /nfs/dbraw/zinc/56/86/47/1341568647.db2.gz LUZRFNOCOBSBGD-PMACEKPBSA-N 1 2 345.446 3.274 20 30 EGEDLO CN(C(=O)c1cccs1)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032875370 1341645720 /nfs/dbraw/zinc/64/57/20/1341645720.db2.gz DIRBLRXLOWOTLI-OAHLLOKOSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C(=O)c1cccs1)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032875370 1341645724 /nfs/dbraw/zinc/64/57/24/1341645724.db2.gz DIRBLRXLOWOTLI-OAHLLOKOSA-N 1 2 343.427 3.105 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)C2CCC2)C1 ZINC001033310851 1341776648 /nfs/dbraw/zinc/77/66/48/1341776648.db2.gz XXOFGKRYMDERHO-AWEZNQCLSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)C2CCC2)C1 ZINC001033310851 1341776651 /nfs/dbraw/zinc/77/66/51/1341776651.db2.gz XXOFGKRYMDERHO-AWEZNQCLSA-N 1 2 343.309 3.254 20 30 EGEDLO CN(C(=O)C1(C)CCC1)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033332189 1341785175 /nfs/dbraw/zinc/78/51/75/1341785175.db2.gz GWDFYJIFUAAWPM-QGZVFWFLSA-N 1 2 344.886 3.414 20 30 EGEDLO CN(C(=O)C1(C)CCC1)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033332189 1341785179 /nfs/dbraw/zinc/78/51/79/1341785179.db2.gz GWDFYJIFUAAWPM-QGZVFWFLSA-N 1 2 344.886 3.414 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2(c3cccnc3)CCCC2)C1 ZINC001033366946 1341798602 /nfs/dbraw/zinc/79/86/02/1341798602.db2.gz XQBZCSIGYTTYSG-QGZVFWFLSA-N 1 2 347.890 3.179 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(c3cccnc3)CCCC2)C1 ZINC001033366946 1341798603 /nfs/dbraw/zinc/79/86/03/1341798603.db2.gz XQBZCSIGYTTYSG-QGZVFWFLSA-N 1 2 347.890 3.179 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3csc(CC)n3)C2)CC1 ZINC001033392608 1341810424 /nfs/dbraw/zinc/81/04/24/1341810424.db2.gz BLWNCXXFTJVJGR-QGZVFWFLSA-N 1 2 347.528 3.485 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@H+](Cc3csc(CC)n3)C2)CC1 ZINC001033392608 1341810426 /nfs/dbraw/zinc/81/04/26/1341810426.db2.gz BLWNCXXFTJVJGR-QGZVFWFLSA-N 1 2 347.528 3.485 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2cccc(Cl)c2F)C1 ZINC001033446861 1341827341 /nfs/dbraw/zinc/82/73/41/1341827341.db2.gz CQOQVVQZXOZRBT-ZDUSSCGKSA-N 1 2 345.245 3.307 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2cccc(Cl)c2F)C1 ZINC001033446861 1341827342 /nfs/dbraw/zinc/82/73/42/1341827342.db2.gz CQOQVVQZXOZRBT-ZDUSSCGKSA-N 1 2 345.245 3.307 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)c(OC)c2)C1 ZINC001033472694 1341840227 /nfs/dbraw/zinc/84/02/27/1341840227.db2.gz AQYRZSIIRCFMAN-ZDUSSCGKSA-N 1 2 343.254 3.247 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)c(OC)c2)C1 ZINC001033472694 1341840229 /nfs/dbraw/zinc/84/02/29/1341840229.db2.gz AQYRZSIIRCFMAN-ZDUSSCGKSA-N 1 2 343.254 3.247 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC3(CCC3)CO2)C1 ZINC001033603849 1341894524 /nfs/dbraw/zinc/89/45/24/1341894524.db2.gz WGELPIMVBXBPHZ-HOTGVXAUSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC3(CCC3)CO2)C1 ZINC001033603849 1341894528 /nfs/dbraw/zinc/89/45/28/1341894528.db2.gz WGELPIMVBXBPHZ-HOTGVXAUSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)c2cccc(OC)c2)C1 ZINC001033687846 1341952708 /nfs/dbraw/zinc/95/27/08/1341952708.db2.gz FATWMJHLHIMEFF-GOEBONIOSA-N 1 2 336.863 3.084 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)c2cccc(OC)c2)C1 ZINC001033687846 1341952709 /nfs/dbraw/zinc/95/27/09/1341952709.db2.gz FATWMJHLHIMEFF-GOEBONIOSA-N 1 2 336.863 3.084 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(N(C)C(C)C)cc2)C1 ZINC001033703324 1341968332 /nfs/dbraw/zinc/96/83/32/1341968332.db2.gz XOAKHIAVEOHCPN-SFHVURJKSA-N 1 2 349.906 3.430 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(N(C)C(C)C)cc2)C1 ZINC001033703324 1341968333 /nfs/dbraw/zinc/96/83/33/1341968333.db2.gz XOAKHIAVEOHCPN-SFHVURJKSA-N 1 2 349.906 3.430 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2(c3ccccc3C)CC2)C1 ZINC001033713677 1341972701 /nfs/dbraw/zinc/97/27/01/1341972701.db2.gz RNDITQDIXORGHO-INIZCTEOSA-N 1 2 332.875 3.312 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2(c3ccccc3C)CC2)C1 ZINC001033713677 1341972702 /nfs/dbraw/zinc/97/27/02/1341972702.db2.gz RNDITQDIXORGHO-INIZCTEOSA-N 1 2 332.875 3.312 20 30 EGEDLO CCN(C(=O)c1ccc(C)o1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033751237 1341995768 /nfs/dbraw/zinc/99/57/68/1341995768.db2.gz GNXGPXYKLIZTKR-SFHVURJKSA-N 1 2 337.423 3.196 20 30 EGEDLO CCN(C(=O)c1ccc(C)o1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033751237 1341995769 /nfs/dbraw/zinc/99/57/69/1341995769.db2.gz GNXGPXYKLIZTKR-SFHVURJKSA-N 1 2 337.423 3.196 20 30 EGEDLO CCN(C(=O)C1=CCCC1)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033797269 1342014476 /nfs/dbraw/zinc/01/44/76/1342014476.db2.gz WJWNQFBGJSIQAQ-IBGZPJMESA-N 1 2 341.430 3.230 20 30 EGEDLO CCN(C(=O)C1=CCCC1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033797269 1342014481 /nfs/dbraw/zinc/01/44/81/1342014481.db2.gz WJWNQFBGJSIQAQ-IBGZPJMESA-N 1 2 341.430 3.230 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccn3ccccc23)C1 ZINC001033893801 1342065926 /nfs/dbraw/zinc/06/59/26/1342065926.db2.gz AGZDIJVUSJIBSU-OAHLLOKOSA-N 1 2 331.847 3.228 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccn3ccccc23)C1 ZINC001033893801 1342065930 /nfs/dbraw/zinc/06/59/30/1342065930.db2.gz AGZDIJVUSJIBSU-OAHLLOKOSA-N 1 2 331.847 3.228 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001033949587 1342108921 /nfs/dbraw/zinc/10/89/21/1342108921.db2.gz FXHMFNJTJOSKNE-RBSFLKMASA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001033949587 1342108923 /nfs/dbraw/zinc/10/89/23/1342108923.db2.gz FXHMFNJTJOSKNE-RBSFLKMASA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCOc3ccccc32)C1 ZINC001033991067 1342134144 /nfs/dbraw/zinc/13/41/44/1342134144.db2.gz FPUNXJLMGQWBFM-RDJZCZTQSA-N 1 2 348.874 3.228 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCOc3ccccc32)C1 ZINC001033991067 1342134145 /nfs/dbraw/zinc/13/41/45/1342134145.db2.gz FPUNXJLMGQWBFM-RDJZCZTQSA-N 1 2 348.874 3.228 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCOc3ccccc32)C1 ZINC001033991066 1342134288 /nfs/dbraw/zinc/13/42/88/1342134288.db2.gz FPUNXJLMGQWBFM-NVXWUHKLSA-N 1 2 348.874 3.228 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCOc3ccccc32)C1 ZINC001033991066 1342134289 /nfs/dbraw/zinc/13/42/89/1342134289.db2.gz FPUNXJLMGQWBFM-NVXWUHKLSA-N 1 2 348.874 3.228 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2oc(CCC)nc2C)C1 ZINC001034013214 1342149475 /nfs/dbraw/zinc/14/94/75/1342149475.db2.gz LQZLMRMUXGGJTD-AWEZNQCLSA-N 1 2 339.867 3.224 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2oc(CCC)nc2C)C1 ZINC001034013214 1342149479 /nfs/dbraw/zinc/14/94/79/1342149479.db2.gz LQZLMRMUXGGJTD-AWEZNQCLSA-N 1 2 339.867 3.224 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc(F)cc(F)c2)C1 ZINC001034040096 1342180231 /nfs/dbraw/zinc/18/02/31/1342180231.db2.gz RLODSJNZGWKNDV-HNNXBMFYSA-N 1 2 328.790 3.254 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(F)cc(F)c2)C1 ZINC001034040096 1342180233 /nfs/dbraw/zinc/18/02/33/1342180233.db2.gz RLODSJNZGWKNDV-HNNXBMFYSA-N 1 2 328.790 3.254 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@H](NC(=O)C2=CCCC2)C1 ZINC001034157698 1342280992 /nfs/dbraw/zinc/28/09/92/1342280992.db2.gz CUYJCYSGZCSQNR-IBGZPJMESA-N 1 2 341.430 3.278 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@H](NC(=O)C2=CCCC2)C1 ZINC001034157698 1342280997 /nfs/dbraw/zinc/28/09/97/1342280997.db2.gz CUYJCYSGZCSQNR-IBGZPJMESA-N 1 2 341.430 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC001034219921 1342324786 /nfs/dbraw/zinc/32/47/86/1342324786.db2.gz RIJYVFIWSMHBMV-ZDUSSCGKSA-N 1 2 338.883 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC001034219921 1342324788 /nfs/dbraw/zinc/32/47/88/1342324788.db2.gz RIJYVFIWSMHBMV-ZDUSSCGKSA-N 1 2 338.883 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2OCCc3ccccc32)C1 ZINC001034338970 1342412405 /nfs/dbraw/zinc/41/24/05/1342412405.db2.gz HNBVEZZYGQPEPE-WMZOPIPTSA-N 1 2 348.874 3.024 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2OCCc3ccccc32)C1 ZINC001034338970 1342412407 /nfs/dbraw/zinc/41/24/07/1342412407.db2.gz HNBVEZZYGQPEPE-WMZOPIPTSA-N 1 2 348.874 3.024 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@@H+](Cc3nccc(C)n3)C2)CC1 ZINC001034378713 1342448091 /nfs/dbraw/zinc/44/80/91/1342448091.db2.gz WXJZUWRRHJFWAT-GOSISDBHSA-N 1 2 342.487 3.002 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@H+](Cc3nccc(C)n3)C2)CC1 ZINC001034378713 1342448092 /nfs/dbraw/zinc/44/80/92/1342448092.db2.gz WXJZUWRRHJFWAT-GOSISDBHSA-N 1 2 342.487 3.002 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2c[nH]nc2C(C)(C)C)C1 ZINC001034485753 1342543976 /nfs/dbraw/zinc/54/39/76/1342543976.db2.gz FHRZRIDWVBHVMF-CYBMUJFWSA-N 1 2 338.883 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2c[nH]nc2C(C)(C)C)C1 ZINC001034485753 1342543980 /nfs/dbraw/zinc/54/39/80/1342543980.db2.gz FHRZRIDWVBHVMF-CYBMUJFWSA-N 1 2 338.883 3.044 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(Cl)c2Cl)C1 ZINC001035583981 1343094994 /nfs/dbraw/zinc/09/49/94/1343094994.db2.gz OFBDHTNOFJWHHE-LBPRGKRZSA-N 1 2 343.254 3.000 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(Cl)c2Cl)C1 ZINC001035583981 1343094997 /nfs/dbraw/zinc/09/49/97/1343094997.db2.gz OFBDHTNOFJWHHE-LBPRGKRZSA-N 1 2 343.254 3.000 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC2(C[NH+](Cc3ncc(C)o3)C2)CC1 ZINC001035762931 1343176453 /nfs/dbraw/zinc/17/64/53/1343176453.db2.gz WLCUVFPHQSRZSM-UHFFFAOYSA-N 1 2 331.460 3.010 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccc3[nH]ccc3c1)CC2 ZINC001035783320 1343194276 /nfs/dbraw/zinc/19/42/76/1343194276.db2.gz ZHVUBMCSQCECDN-UHFFFAOYSA-N 1 2 343.858 3.458 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC3(C[NH+]([C@@H](C)c4ncc(C)o4)C3)CC2)C1 ZINC001035788854 1343200703 /nfs/dbraw/zinc/20/07/03/1343200703.db2.gz LTKHDZFSPNXEQO-INIZCTEOSA-N 1 2 343.471 3.325 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2CCCC3(CC3)C2)s1 ZINC001038246146 1344341372 /nfs/dbraw/zinc/34/13/72/1344341372.db2.gz MHXQOVUFQYNBFN-LSDHHAIUSA-N 1 2 343.496 3.281 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CCCC3(CC3)C2)s1 ZINC001038246146 1344341378 /nfs/dbraw/zinc/34/13/78/1344341378.db2.gz MHXQOVUFQYNBFN-LSDHHAIUSA-N 1 2 343.496 3.281 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc3c(o2)CCCC3)cc1 ZINC001038333720 1344384160 /nfs/dbraw/zinc/38/41/60/1344384160.db2.gz XHKKAAHNQMVFNG-GOSISDBHSA-N 1 2 349.434 3.034 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc3c(o2)CCCC3)cc1 ZINC001038333720 1344384164 /nfs/dbraw/zinc/38/41/64/1344384164.db2.gz XHKKAAHNQMVFNG-GOSISDBHSA-N 1 2 349.434 3.034 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)s1 ZINC001038541397 1344474736 /nfs/dbraw/zinc/47/47/36/1344474736.db2.gz TWOAFMVAJVJZMG-IHETXDGRSA-N 1 2 343.496 3.137 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)s1 ZINC001038541397 1344474737 /nfs/dbraw/zinc/47/47/37/1344474737.db2.gz TWOAFMVAJVJZMG-IHETXDGRSA-N 1 2 343.496 3.137 20 30 EGEDLO CC(C)c1[nH]ccc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001038610253 1344502178 /nfs/dbraw/zinc/50/21/78/1344502178.db2.gz BMHQOSWEBSXELL-ZDUSSCGKSA-N 1 2 342.468 3.076 20 30 EGEDLO CC(C)c1[nH]ccc1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001038610253 1344502181 /nfs/dbraw/zinc/50/21/81/1344502181.db2.gz BMHQOSWEBSXELL-ZDUSSCGKSA-N 1 2 342.468 3.076 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+]2CCOc2ccccc2F)CC1 ZINC001038668572 1344532956 /nfs/dbraw/zinc/53/29/56/1344532956.db2.gz VRWSTFHGEIKJST-KRWDZBQOSA-N 1 2 346.446 3.141 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCOc2ccccc2F)CC1 ZINC001038668572 1344532963 /nfs/dbraw/zinc/53/29/63/1344532963.db2.gz VRWSTFHGEIKJST-KRWDZBQOSA-N 1 2 346.446 3.141 20 30 EGEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1CCCC(F)(F)C1 ZINC001038688039 1344542761 /nfs/dbraw/zinc/54/27/61/1344542761.db2.gz KGERRDUDDGVUFD-MSOLQXFVSA-N 1 2 346.421 3.054 20 30 EGEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1CCCC(F)(F)C1 ZINC001038688039 1344542763 /nfs/dbraw/zinc/54/27/63/1344542763.db2.gz KGERRDUDDGVUFD-MSOLQXFVSA-N 1 2 346.421 3.054 20 30 EGEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)c1cc[nH]c1C1CCC1 ZINC001038708377 1344549973 /nfs/dbraw/zinc/54/99/73/1344549973.db2.gz OZCPJYBHKAIMEL-IBGZPJMESA-N 1 2 347.462 3.138 20 30 EGEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)c1cc[nH]c1C1CCC1 ZINC001038708377 1344549975 /nfs/dbraw/zinc/54/99/75/1344549975.db2.gz OZCPJYBHKAIMEL-IBGZPJMESA-N 1 2 347.462 3.138 20 30 EGEDLO Cc1ccc(C)c(C(=O)NC[C@H]2CC[N@@H+]2CC#Cc2ccccc2)c1 ZINC001038963278 1344685209 /nfs/dbraw/zinc/68/52/09/1344685209.db2.gz HNDWSUPGSKXUNM-HXUWFJFHSA-N 1 2 332.447 3.159 20 30 EGEDLO Cc1ccc(C)c(C(=O)NC[C@H]2CC[N@H+]2CC#Cc2ccccc2)c1 ZINC001038963278 1344685213 /nfs/dbraw/zinc/68/52/13/1344685213.db2.gz HNDWSUPGSKXUNM-HXUWFJFHSA-N 1 2 332.447 3.159 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc3ccccc3o2)c1 ZINC001038992211 1344702676 /nfs/dbraw/zinc/70/26/76/1344702676.db2.gz RCCGIVPKZWCZDR-SFHVURJKSA-N 1 2 345.402 3.309 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc3ccccc3o2)c1 ZINC001038992211 1344702679 /nfs/dbraw/zinc/70/26/79/1344702679.db2.gz RCCGIVPKZWCZDR-SFHVURJKSA-N 1 2 345.402 3.309 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001039131212 1344809543 /nfs/dbraw/zinc/80/95/43/1344809543.db2.gz HDIBFVOZAIPCCQ-UONOGXRCSA-N 1 2 336.373 3.023 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001039131212 1344809546 /nfs/dbraw/zinc/80/95/46/1344809546.db2.gz HDIBFVOZAIPCCQ-UONOGXRCSA-N 1 2 336.373 3.023 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)C1 ZINC001039131212 1344809549 /nfs/dbraw/zinc/80/95/49/1344809549.db2.gz HDIBFVOZAIPCCQ-UONOGXRCSA-N 1 2 336.373 3.023 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)C1 ZINC001039131212 1344809551 /nfs/dbraw/zinc/80/95/51/1344809551.db2.gz HDIBFVOZAIPCCQ-UONOGXRCSA-N 1 2 336.373 3.023 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)cn1C ZINC001039402846 1345048937 /nfs/dbraw/zinc/04/89/37/1345048937.db2.gz VHWDJEBRSZDTLC-KGLIPLIRSA-N 1 2 342.270 3.110 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)cn1C ZINC001039402846 1345048939 /nfs/dbraw/zinc/04/89/39/1345048939.db2.gz VHWDJEBRSZDTLC-KGLIPLIRSA-N 1 2 342.270 3.110 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC(C)(C)CO1 ZINC001039403707 1345049609 /nfs/dbraw/zinc/04/96/09/1345049609.db2.gz KQUCXMRLIGYOQK-PMPSAXMXSA-N 1 2 340.895 3.009 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC(C)(C)CO1 ZINC001039403707 1345049611 /nfs/dbraw/zinc/04/96/11/1345049611.db2.gz KQUCXMRLIGYOQK-PMPSAXMXSA-N 1 2 340.895 3.009 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COc1cccc(C)c1 ZINC001039468707 1345086454 /nfs/dbraw/zinc/08/64/54/1345086454.db2.gz BSWOOQJEEAYLNJ-SJORKVTESA-N 1 2 348.874 3.192 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COc1cccc(C)c1 ZINC001039468707 1345086456 /nfs/dbraw/zinc/08/64/56/1345086456.db2.gz BSWOOQJEEAYLNJ-SJORKVTESA-N 1 2 348.874 3.192 20 30 EGEDLO O=C(C#CC1CC1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(Cl)c1 ZINC001039585396 1345146469 /nfs/dbraw/zinc/14/64/69/1345146469.db2.gz ZNPLCRWNHOSYBM-KDURUIRLSA-N 1 2 342.870 3.319 20 30 EGEDLO O=C(C#CC1CC1)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(Cl)c1 ZINC001039585396 1345146470 /nfs/dbraw/zinc/14/64/70/1345146470.db2.gz ZNPLCRWNHOSYBM-KDURUIRLSA-N 1 2 342.870 3.319 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@@H](C)[C@](C)(CNc3cc[nH+]c(C)n3)C2)C1 ZINC001040349678 1345448027 /nfs/dbraw/zinc/44/80/27/1345448027.db2.gz IVGZDIRNCIHYAT-AUUYWEPGSA-N 1 2 328.460 3.038 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4cnccc4o3)C[C@H]21 ZINC001042135030 1345952887 /nfs/dbraw/zinc/95/28/87/1345952887.db2.gz SLIXRBNMWRKANE-UKRRQHHQSA-N 1 2 345.830 3.117 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc4cnccc4o3)C[C@H]21 ZINC001042135030 1345952889 /nfs/dbraw/zinc/95/28/89/1345952889.db2.gz SLIXRBNMWRKANE-UKRRQHHQSA-N 1 2 345.830 3.117 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3nc(Cl)cs3)C[C@@H]21 ZINC001042196766 1345978935 /nfs/dbraw/zinc/97/89/35/1345978935.db2.gz RDZLOOFIKZCZJL-MNOVXSKESA-N 1 2 346.283 3.085 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3nc(Cl)cs3)C[C@@H]21 ZINC001042196766 1345978932 /nfs/dbraw/zinc/97/89/32/1345978932.db2.gz RDZLOOFIKZCZJL-MNOVXSKESA-N 1 2 346.283 3.085 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2=CCCCC2)C1 ZINC001079496232 1357277486 /nfs/dbraw/zinc/27/74/86/1357277486.db2.gz QLWNLESJJUIVDL-IUODEOHRSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2=CCCCC2)C1 ZINC001079496232 1357277488 /nfs/dbraw/zinc/27/74/88/1357277488.db2.gz QLWNLESJJUIVDL-IUODEOHRSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[NH2+]Cc2nnc(C(C)C)o2)CC1 ZINC001045182193 1346517718 /nfs/dbraw/zinc/51/77/18/1346517718.db2.gz NXZQBQQZZPQFLN-INIZCTEOSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1C[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001045185990 1346522249 /nfs/dbraw/zinc/52/22/49/1346522249.db2.gz SMNIYGLQZPQBEJ-LIRRHRJNSA-N 1 2 348.491 3.050 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC=CCC2)CC1 ZINC001045364353 1346575308 /nfs/dbraw/zinc/57/53/08/1346575308.db2.gz FOKJZHNLFWMQIN-CQSZACIVSA-N 1 2 341.293 3.222 20 30 EGEDLO CC1(C)C[C@H]1C(=O)NC1(C)CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001045410825 1346587064 /nfs/dbraw/zinc/58/70/64/1346587064.db2.gz KTNXRNNYIZTKPH-KRWDZBQOSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cscn1 ZINC001045840865 1346716947 /nfs/dbraw/zinc/71/69/47/1346716947.db2.gz SESYWTDKDQUJJU-SOLBZPMBSA-N 1 2 333.501 3.311 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cscn1 ZINC001045840865 1346716949 /nfs/dbraw/zinc/71/69/49/1346716949.db2.gz SESYWTDKDQUJJU-SOLBZPMBSA-N 1 2 333.501 3.311 20 30 EGEDLO CC1(C)C[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001046245884 1346908135 /nfs/dbraw/zinc/90/81/35/1346908135.db2.gz ARPIJLJOIZGITH-JXFKEZNVSA-N 1 2 344.886 3.318 20 30 EGEDLO CC1(C)C[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001046245884 1346908137 /nfs/dbraw/zinc/90/81/37/1346908137.db2.gz ARPIJLJOIZGITH-JXFKEZNVSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3ccc(OC)cc32)C1 ZINC001046386405 1346958528 /nfs/dbraw/zinc/95/85/28/1346958528.db2.gz FRTNSKUGNVPDCR-VQIMIIECSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3ccc(OC)cc32)C1 ZINC001046386405 1346958531 /nfs/dbraw/zinc/95/85/31/1346958531.db2.gz FRTNSKUGNVPDCR-VQIMIIECSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC001046465879 1346983739 /nfs/dbraw/zinc/98/37/39/1346983739.db2.gz VRJXFWOELOSIOW-SFHVURJKSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC001046465879 1346983740 /nfs/dbraw/zinc/98/37/40/1346983740.db2.gz VRJXFWOELOSIOW-SFHVURJKSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2oc3ccccc3c2OC)C1 ZINC001046537492 1347007406 /nfs/dbraw/zinc/00/74/06/1347007406.db2.gz UBQDBJBWINFOPZ-SFHVURJKSA-N 1 2 348.830 3.388 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2oc3ccccc3c2OC)C1 ZINC001046537492 1347007408 /nfs/dbraw/zinc/00/74/08/1347007408.db2.gz UBQDBJBWINFOPZ-SFHVURJKSA-N 1 2 348.830 3.388 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046551657 1347013253 /nfs/dbraw/zinc/01/32/53/1347013253.db2.gz WJQQCZNVLDUJPW-YLJYHZDGSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046551657 1347013257 /nfs/dbraw/zinc/01/32/57/1347013257.db2.gz WJQQCZNVLDUJPW-YLJYHZDGSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C1CCC(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H](C)c3nnc(CC)o3)C2)CC1 ZINC001046594019 1347030389 /nfs/dbraw/zinc/03/03/89/1347030389.db2.gz CLEHBBJFDDJMHV-LIRRHRJNSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CCC(C(=O)N[C@@]2(C)CC[N@H+]([C@@H](C)c3nnc(CC)o3)C2)CC1 ZINC001046594019 1347030390 /nfs/dbraw/zinc/03/03/90/1347030390.db2.gz CLEHBBJFDDJMHV-LIRRHRJNSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2csc(C(C)C)n2)C1 ZINC001046704035 1347067683 /nfs/dbraw/zinc/06/76/83/1347067683.db2.gz MFJGBSGEMXAOSE-HNNXBMFYSA-N 1 2 327.881 3.213 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2csc(C(C)C)n2)C1 ZINC001046704035 1347067685 /nfs/dbraw/zinc/06/76/85/1347067685.db2.gz MFJGBSGEMXAOSE-HNNXBMFYSA-N 1 2 327.881 3.213 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc3nc(C)ccc3o2)C1 ZINC001046785968 1347099998 /nfs/dbraw/zinc/09/99/98/1347099998.db2.gz LAYZGUOXVUXFOZ-QGZVFWFLSA-N 1 2 333.819 3.083 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc3nc(C)ccc3o2)C1 ZINC001046785968 1347100001 /nfs/dbraw/zinc/10/00/01/1347100001.db2.gz LAYZGUOXVUXFOZ-QGZVFWFLSA-N 1 2 333.819 3.083 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(Cl)o1 ZINC001049322585 1347789865 /nfs/dbraw/zinc/78/98/65/1347789865.db2.gz NHLJBKXRJZPKKJ-VXGBXAGGSA-N 1 2 329.227 3.364 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(Cl)o1 ZINC001049322585 1347789866 /nfs/dbraw/zinc/78/98/66/1347789866.db2.gz NHLJBKXRJZPKKJ-VXGBXAGGSA-N 1 2 329.227 3.364 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C(C)C)on1 ZINC001049622391 1347939940 /nfs/dbraw/zinc/93/99/40/1347939940.db2.gz ULIPJSBBYINXEV-CABCVRRESA-N 1 2 337.851 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C(C)C)on1 ZINC001049622391 1347939942 /nfs/dbraw/zinc/93/99/42/1347939942.db2.gz ULIPJSBBYINXEV-CABCVRRESA-N 1 2 337.851 3.229 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1coc(C)n1 ZINC001049632742 1347944249 /nfs/dbraw/zinc/94/42/49/1347944249.db2.gz AXEOQRAWBYCQCW-IAGOWNOFSA-N 1 2 331.460 3.151 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1coc(C)n1 ZINC001049632742 1347944250 /nfs/dbraw/zinc/94/42/50/1347944250.db2.gz AXEOQRAWBYCQCW-IAGOWNOFSA-N 1 2 331.460 3.151 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(OC)cs1 ZINC001049633520 1347945205 /nfs/dbraw/zinc/94/52/05/1347945205.db2.gz JMLOBTWCLDIOAK-UONOGXRCSA-N 1 2 340.876 3.188 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(OC)cs1 ZINC001049633520 1347945206 /nfs/dbraw/zinc/94/52/06/1347945206.db2.gz JMLOBTWCLDIOAK-UONOGXRCSA-N 1 2 340.876 3.188 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cnc(CC)s1 ZINC001049926423 1348116916 /nfs/dbraw/zinc/11/69/16/1348116916.db2.gz PGFRSWYZODRYIF-QWHCGFSZSA-N 1 2 339.892 3.137 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cnc(CC)s1 ZINC001049926423 1348116917 /nfs/dbraw/zinc/11/69/17/1348116917.db2.gz PGFRSWYZODRYIF-QWHCGFSZSA-N 1 2 339.892 3.137 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc2cc(C)ccc2o1 ZINC001051254716 1348409801 /nfs/dbraw/zinc/40/98/01/1348409801.db2.gz KZLUYNGVQYGHCA-KRWDZBQOSA-N 1 2 342.439 3.138 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc2cc(C)ccc2o1 ZINC001051254716 1348409802 /nfs/dbraw/zinc/40/98/02/1348409802.db2.gz KZLUYNGVQYGHCA-KRWDZBQOSA-N 1 2 342.439 3.138 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCOC2(C[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC001053370559 1349012273 /nfs/dbraw/zinc/01/22/73/1349012273.db2.gz LMGTVWGDGPMLJU-QGZVFWFLSA-N 1 2 342.483 3.263 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(C(C)(C)C)s1)O2 ZINC001053700260 1349097789 /nfs/dbraw/zinc/09/77/89/1349097789.db2.gz PMJBAFSEDKCPHK-AWEZNQCLSA-N 1 2 348.512 3.195 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc(C(C)(C)C)c1)CO2 ZINC001053961260 1349126009 /nfs/dbraw/zinc/12/60/09/1349126009.db2.gz RLBQCKVTGJPPCI-SFHVURJKSA-N 1 2 342.483 3.133 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001054059061 1349140774 /nfs/dbraw/zinc/14/07/74/1349140774.db2.gz FLLLNEHPDUMDAI-NRFANRHFSA-N 1 2 332.447 3.093 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001054059061 1349140775 /nfs/dbraw/zinc/14/07/75/1349140775.db2.gz FLLLNEHPDUMDAI-NRFANRHFSA-N 1 2 332.447 3.093 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc(C)c(F)cc3F)cc2C1 ZINC001054269433 1349267503 /nfs/dbraw/zinc/26/75/03/1349267503.db2.gz ALPSIILFUAFQQD-UHFFFAOYSA-N 1 2 340.373 3.152 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc(C)c(F)cc3F)cc2C1 ZINC001054269433 1349267505 /nfs/dbraw/zinc/26/75/05/1349267505.db2.gz ALPSIILFUAFQQD-UHFFFAOYSA-N 1 2 340.373 3.152 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cccn3C3CCCC3)cc2C1 ZINC001054286946 1349289272 /nfs/dbraw/zinc/28/92/72/1349289272.db2.gz URGXKVUSCGRMLY-UHFFFAOYSA-N 1 2 347.462 3.482 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cccn3C3CCCC3)cc2C1 ZINC001054286946 1349289275 /nfs/dbraw/zinc/28/92/75/1349289275.db2.gz URGXKVUSCGRMLY-UHFFFAOYSA-N 1 2 347.462 3.482 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2CCC[C@]2(CNc2cc[nH+]c(C)n2)C1 ZINC001055681587 1349689128 /nfs/dbraw/zinc/68/91/28/1349689128.db2.gz ZAVASVPOKGFLGZ-VDGAXYAQSA-N 1 2 342.487 3.428 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001057000637 1349971807 /nfs/dbraw/zinc/97/18/07/1349971807.db2.gz CCHAZZJHTXQPAU-INIZCTEOSA-N 1 2 342.487 3.302 20 30 EGEDLO C=C[C@@H](C(=O)N1CCC(Nc2cc[nH+]c(C)n2)CC1)c1ccccc1 ZINC001057336919 1350017095 /nfs/dbraw/zinc/01/70/95/1350017095.db2.gz GNESTEUYCWNFAL-GOSISDBHSA-N 1 2 336.439 3.158 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cc3ccccc3o2)C1 ZINC001080231968 1357532274 /nfs/dbraw/zinc/53/22/74/1357532274.db2.gz XENNCQALMKLTCZ-MLGOLLRUSA-N 1 2 332.831 3.164 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cc3ccccc3o2)C1 ZINC001080231968 1357532275 /nfs/dbraw/zinc/53/22/75/1357532275.db2.gz XENNCQALMKLTCZ-MLGOLLRUSA-N 1 2 332.831 3.164 20 30 EGEDLO C=C1CCC(C(=O)N[C@H](C)[C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001060369027 1350870685 /nfs/dbraw/zinc/87/06/85/1350870685.db2.gz FOOFERFCAFFJEX-CRAIPNDOSA-N 1 2 342.487 3.253 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001061259441 1351330582 /nfs/dbraw/zinc/33/05/82/1351330582.db2.gz OUYRBIYFEFDPPA-PXNSSMCTSA-N 1 2 344.503 3.431 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(Cl)nc3)C[C@H]2C)CC1 ZINC001080383717 1357597722 /nfs/dbraw/zinc/59/77/22/1357597722.db2.gz SDZNWGSHYWALJB-RHSMWYFYSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(Cl)nc3)C[C@H]2C)CC1 ZINC001080383717 1357597723 /nfs/dbraw/zinc/59/77/23/1357597723.db2.gz SDZNWGSHYWALJB-RHSMWYFYSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC(CN(C)c2cc[nH+]c(C)n2)CC1 ZINC001062228856 1351492420 /nfs/dbraw/zinc/49/24/20/1351492420.db2.gz PGTZZCCYLPKDOR-IBGZPJMESA-N 1 2 330.476 3.062 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cc(CC)[nH+]c(C)n1 ZINC001065160326 1352746705 /nfs/dbraw/zinc/74/67/05/1352746705.db2.gz PSLILWIGKGRTFB-SJORKVTESA-N 1 2 342.487 3.129 20 30 EGEDLO C=C1CCC(C(=O)N2CCC(C)(Nc3cc[nH+]c(C)n3)CC2)CC1 ZINC001067290377 1353360925 /nfs/dbraw/zinc/36/09/25/1353360925.db2.gz CMFFXDWIOCFALC-UHFFFAOYSA-N 1 2 328.460 3.324 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@@H]3CCC[C@H](Nc4cc[nH+]c(C)n4)[C@H]3C2)C1 ZINC001069318499 1354001523 /nfs/dbraw/zinc/00/15/23/1354001523.db2.gz GZQOOWHVYWIJTK-ULQDDVLXSA-N 1 2 340.471 3.180 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CCCC(C)(C)C3)c2C1 ZINC001069884091 1354293290 /nfs/dbraw/zinc/29/32/90/1354293290.db2.gz QNHGZEUSRXMAKN-INIZCTEOSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CCCC(C)(C)C3)c2C1 ZINC001069884091 1354293292 /nfs/dbraw/zinc/29/32/92/1354293292.db2.gz QNHGZEUSRXMAKN-INIZCTEOSA-N 1 2 344.503 3.107 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C2CCCC2)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC001071293209 1354543028 /nfs/dbraw/zinc/54/30/28/1354543028.db2.gz BJVKLFWEAJUPCN-KSSFIOAISA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C2CCCC2)C[N@H+]1Cc1cc(C#N)ccc1F ZINC001071293209 1354543030 /nfs/dbraw/zinc/54/30/30/1354543030.db2.gz BJVKLFWEAJUPCN-KSSFIOAISA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)c2cccs2)C[N@@H+]1Cc1ccccc1C#N ZINC001071328862 1354593109 /nfs/dbraw/zinc/59/31/09/1354593109.db2.gz FEXNIHBSIBQQNH-WMLDXEAASA-N 1 2 339.464 3.403 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)c2cccs2)C[N@H+]1Cc1ccccc1C#N ZINC001071328862 1354593111 /nfs/dbraw/zinc/59/31/11/1354593111.db2.gz FEXNIHBSIBQQNH-WMLDXEAASA-N 1 2 339.464 3.403 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC#Cc3ccccc3)C2)o1 ZINC001071333122 1354598878 /nfs/dbraw/zinc/59/88/78/1354598878.db2.gz XNNYLYYFTSINEH-APWZRJJASA-N 1 2 336.435 3.222 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC#Cc3ccccc3)C2)o1 ZINC001071333122 1354598880 /nfs/dbraw/zinc/59/88/80/1354598880.db2.gz XNNYLYYFTSINEH-APWZRJJASA-N 1 2 336.435 3.222 20 30 EGEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2snc(Cl)c2Cl)CC[C@@H]1C ZINC001071536200 1354752724 /nfs/dbraw/zinc/75/27/24/1354752724.db2.gz DLJFBWPSZAPEBL-UWVGGRQHSA-N 1 2 346.283 3.056 20 30 EGEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2snc(Cl)c2Cl)CC[C@@H]1C ZINC001071536200 1354752727 /nfs/dbraw/zinc/75/27/27/1354752727.db2.gz DLJFBWPSZAPEBL-UWVGGRQHSA-N 1 2 346.283 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cncc(Cl)c2C)CC[C@@H]1C ZINC001071585059 1354778996 /nfs/dbraw/zinc/77/89/96/1354778996.db2.gz VLQSKIDTDPWKGE-AAEUAGOBSA-N 1 2 342.270 3.379 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cncc(Cl)c2C)CC[C@@H]1C ZINC001071585059 1354779001 /nfs/dbraw/zinc/77/90/01/1354779001.db2.gz VLQSKIDTDPWKGE-AAEUAGOBSA-N 1 2 342.270 3.379 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2[nH]nc3ccc(C)cc32)CC[C@H]1C ZINC001071642652 1354821413 /nfs/dbraw/zinc/82/14/13/1354821413.db2.gz UUTVTYXTIAQKPM-KGLIPLIRSA-N 1 2 346.862 3.207 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2[nH]nc3ccc(C)cc32)CC[C@H]1C ZINC001071642652 1354821422 /nfs/dbraw/zinc/82/14/22/1354821422.db2.gz UUTVTYXTIAQKPM-KGLIPLIRSA-N 1 2 346.862 3.207 20 30 EGEDLO C#CC[N@H+]1C[C@H](NC(=O)c2scnc2C2CCCC2)CC[C@@H]1C ZINC001071653243 1354827963 /nfs/dbraw/zinc/82/79/63/1354827963.db2.gz VKNRPBDHCBKCHS-DZGCQCFKSA-N 1 2 331.485 3.017 20 30 EGEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2scnc2C2CCCC2)CC[C@@H]1C ZINC001071653243 1354827969 /nfs/dbraw/zinc/82/79/69/1354827969.db2.gz VKNRPBDHCBKCHS-DZGCQCFKSA-N 1 2 331.485 3.017 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2c[nH]nc2-c2ccoc2)CC[C@H]1C ZINC001071702246 1354861783 /nfs/dbraw/zinc/86/17/83/1354861783.db2.gz WGVJSBATKYTNNY-TZMCWYRMSA-N 1 2 348.834 3.005 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2c[nH]nc2-c2ccoc2)CC[C@H]1C ZINC001071702246 1354861785 /nfs/dbraw/zinc/86/17/85/1354861785.db2.gz WGVJSBATKYTNNY-TZMCWYRMSA-N 1 2 348.834 3.005 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ncsc2C2CC2)CC[C@@H]1C ZINC001071821387 1354961289 /nfs/dbraw/zinc/96/12/89/1354961289.db2.gz NVZOYHKIWCXQBJ-AAEUAGOBSA-N 1 2 339.892 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ncsc2C2CC2)CC[C@@H]1C ZINC001071821387 1354961294 /nfs/dbraw/zinc/96/12/94/1354961294.db2.gz NVZOYHKIWCXQBJ-AAEUAGOBSA-N 1 2 339.892 3.356 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc3c(c2)N(C)CC3)CC[C@@H]1C ZINC001072040505 1355097381 /nfs/dbraw/zinc/09/73/81/1355097381.db2.gz LEHOYYTYPAGEEL-WMLDXEAASA-N 1 2 347.890 3.014 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc3c(c2)N(C)CC3)CC[C@@H]1C ZINC001072040505 1355097382 /nfs/dbraw/zinc/09/73/82/1355097382.db2.gz LEHOYYTYPAGEEL-WMLDXEAASA-N 1 2 347.890 3.014 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc(COC)cc2)CC[C@H]1C ZINC001072058779 1355107854 /nfs/dbraw/zinc/10/78/54/1355107854.db2.gz RLHTWNKEIZHBSN-PBHICJAKSA-N 1 2 336.863 3.168 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc(COC)cc2)CC[C@H]1C ZINC001072058779 1355107857 /nfs/dbraw/zinc/10/78/57/1355107857.db2.gz RLHTWNKEIZHBSN-PBHICJAKSA-N 1 2 336.863 3.168 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc(Cl)cn2CC)CC[C@H]1C ZINC001072072766 1355112795 /nfs/dbraw/zinc/11/27/95/1355112795.db2.gz OXFDHXSZGAXZPC-TZMCWYRMSA-N 1 2 344.286 3.497 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc(Cl)cn2CC)CC[C@H]1C ZINC001072072766 1355112797 /nfs/dbraw/zinc/11/27/97/1355112797.db2.gz OXFDHXSZGAXZPC-TZMCWYRMSA-N 1 2 344.286 3.497 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C2CCCCCCC2)C1 ZINC001073687461 1355865381 /nfs/dbraw/zinc/86/53/81/1355865381.db2.gz RVAULMUAWDTOCT-KRWDZBQOSA-N 1 2 342.911 3.307 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C2CCCCCCC2)C1 ZINC001073687461 1355865382 /nfs/dbraw/zinc/86/53/82/1355865382.db2.gz RVAULMUAWDTOCT-KRWDZBQOSA-N 1 2 342.911 3.307 20 30 EGEDLO C[N@@H+](Cc1c(F)cccc1F)C[C@H]1CCCCN1C(=O)C#CC1CC1 ZINC001074012979 1356035761 /nfs/dbraw/zinc/03/57/61/1356035761.db2.gz XMSWRSNDSSCOQA-MRXNPFEDSA-N 1 2 346.421 3.191 20 30 EGEDLO C[N@H+](Cc1c(F)cccc1F)C[C@H]1CCCCN1C(=O)C#CC1CC1 ZINC001074012979 1356035764 /nfs/dbraw/zinc/03/57/64/1356035764.db2.gz XMSWRSNDSSCOQA-MRXNPFEDSA-N 1 2 346.421 3.191 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(C(C)C)c3)C[C@@H]21 ZINC001074377738 1356189200 /nfs/dbraw/zinc/18/92/00/1356189200.db2.gz QCGNSSJRIYKEIG-VQTJNVASSA-N 1 2 342.483 3.301 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(C(C)C)c3)C[C@@H]21 ZINC001074377738 1356189204 /nfs/dbraw/zinc/18/92/04/1356189204.db2.gz QCGNSSJRIYKEIG-VQTJNVASSA-N 1 2 342.483 3.301 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C3CCC(C)(C)CC3)C[C@H]21 ZINC001074415872 1356197623 /nfs/dbraw/zinc/19/76/23/1356197623.db2.gz XWPDHKJQKLGROH-MSOLQXFVSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C3CCC(C)(C)CC3)C[C@H]21 ZINC001074415872 1356197625 /nfs/dbraw/zinc/19/76/25/1356197625.db2.gz XWPDHKJQKLGROH-MSOLQXFVSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NC[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001098081388 1363217604 /nfs/dbraw/zinc/21/76/04/1363217604.db2.gz JDALSEFTPUONAC-NSHDSACASA-N 1 2 336.867 3.358 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(Cl)cc3F)[C@@H]2C1 ZINC001076009092 1356465557 /nfs/dbraw/zinc/46/55/57/1356465557.db2.gz VMEGWUMMGSDENU-XHDPSFHLSA-N 1 2 343.229 3.378 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(Cl)cc3F)[C@@H]2C1 ZINC001076009092 1356465559 /nfs/dbraw/zinc/46/55/59/1356465559.db2.gz VMEGWUMMGSDENU-XHDPSFHLSA-N 1 2 343.229 3.378 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001098088659 1363219470 /nfs/dbraw/zinc/21/94/70/1363219470.db2.gz CMFWSHLPDZFZFK-ZDUSSCGKSA-N 1 2 330.476 3.183 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3nccc4ccccc43)[C@@H]2C1 ZINC001076188304 1356515375 /nfs/dbraw/zinc/51/53/75/1356515375.db2.gz DOQLCKUPSPUVDC-DOTOQJQBSA-N 1 2 341.842 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3nccc4ccccc43)[C@@H]2C1 ZINC001076188304 1356515379 /nfs/dbraw/zinc/51/53/79/1356515379.db2.gz DOQLCKUPSPUVDC-DOTOQJQBSA-N 1 2 341.842 3.134 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nocc1C ZINC001099098523 1363621511 /nfs/dbraw/zinc/62/15/11/1363621511.db2.gz QQEHYSYHKVDMOJ-INIZCTEOSA-N 1 2 333.476 3.446 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nocc1C ZINC001099098523 1363621513 /nfs/dbraw/zinc/62/15/13/1363621513.db2.gz QQEHYSYHKVDMOJ-INIZCTEOSA-N 1 2 333.476 3.446 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(F)cc2Cl)C1 ZINC001080885570 1357758517 /nfs/dbraw/zinc/75/85/17/1357758517.db2.gz VIVKGTSQIKXLRO-YMTOWFKASA-N 1 2 331.218 3.282 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(F)cc2Cl)C1 ZINC001080885570 1357758510 /nfs/dbraw/zinc/75/85/10/1357758510.db2.gz VIVKGTSQIKXLRO-YMTOWFKASA-N 1 2 331.218 3.282 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3F)[C@@H]2C1 ZINC001084158881 1358146794 /nfs/dbraw/zinc/14/67/94/1358146794.db2.gz IHJYLKWXKLGIGD-YLJYHZDGSA-N 1 2 349.409 3.044 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3F)[C@@H]2C1 ZINC001084158881 1358146795 /nfs/dbraw/zinc/14/67/95/1358146795.db2.gz IHJYLKWXKLGIGD-YLJYHZDGSA-N 1 2 349.409 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3nsc4ccccc43)[C@@H]2C1 ZINC001084368488 1358201358 /nfs/dbraw/zinc/20/13/58/1358201358.db2.gz DRDQTHXFNVALCO-TZMCWYRMSA-N 1 2 347.871 3.195 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3nsc4ccccc43)[C@@H]2C1 ZINC001084368488 1358201362 /nfs/dbraw/zinc/20/13/62/1358201362.db2.gz DRDQTHXFNVALCO-TZMCWYRMSA-N 1 2 347.871 3.195 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4cc(C)cn4c3)[C@@H]2C1 ZINC001084393998 1358207082 /nfs/dbraw/zinc/20/70/82/1358207082.db2.gz UDLMLVJCHTYMEP-CRAIPNDOSA-N 1 2 343.858 3.147 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4cc(C)cn4c3)[C@@H]2C1 ZINC001084393998 1358207086 /nfs/dbraw/zinc/20/70/86/1358207086.db2.gz UDLMLVJCHTYMEP-CRAIPNDOSA-N 1 2 343.858 3.147 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3cccs3)[C@@H]2C1 ZINC001084573225 1358240366 /nfs/dbraw/zinc/24/03/66/1358240366.db2.gz KATTZXKXAKPARM-ZIAGYGMSSA-N 1 2 338.904 3.311 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3cccs3)[C@@H]2C1 ZINC001084573225 1358240370 /nfs/dbraw/zinc/24/03/70/1358240370.db2.gz KATTZXKXAKPARM-ZIAGYGMSSA-N 1 2 338.904 3.311 20 30 EGEDLO CC(C)C1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)CC1 ZINC001084645281 1358268541 /nfs/dbraw/zinc/26/85/41/1358268541.db2.gz MHLLLDUEMMHGRI-RTBURBONSA-N 1 2 337.467 3.027 20 30 EGEDLO CC(C)C1(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)CC1 ZINC001084645281 1358268550 /nfs/dbraw/zinc/26/85/50/1358268550.db2.gz MHLLLDUEMMHGRI-RTBURBONSA-N 1 2 337.467 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(OCC)c(C)c3)[C@@H]2C1 ZINC001084695699 1358283691 /nfs/dbraw/zinc/28/36/91/1358283691.db2.gz FDJMHCUSAIXFTO-IAGOWNOFSA-N 1 2 348.874 3.293 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(OCC)c(C)c3)[C@@H]2C1 ZINC001084695699 1358283693 /nfs/dbraw/zinc/28/36/93/1358283693.db2.gz FDJMHCUSAIXFTO-IAGOWNOFSA-N 1 2 348.874 3.293 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)c1ccccc1F ZINC001085456614 1358509067 /nfs/dbraw/zinc/50/90/67/1358509067.db2.gz OEBYDBSDBVSJPC-ZDUSSCGKSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)c1ccccc1F ZINC001085456614 1358509070 /nfs/dbraw/zinc/50/90/70/1358509070.db2.gz OEBYDBSDBVSJPC-ZDUSSCGKSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)c1ccsc1 ZINC001085474747 1358526112 /nfs/dbraw/zinc/52/61/12/1358526112.db2.gz KJGKXERLTCIRMF-INIZCTEOSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)c1ccsc1 ZINC001085474747 1358526113 /nfs/dbraw/zinc/52/61/13/1358526113.db2.gz KJGKXERLTCIRMF-INIZCTEOSA-N 1 2 343.427 3.105 20 30 EGEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2c(o1)c(F)ccc2C ZINC001085738845 1358723845 /nfs/dbraw/zinc/72/38/45/1358723845.db2.gz WGYPOUGPMMWFSL-AWEZNQCLSA-N 1 2 328.387 3.050 20 30 EGEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2c(o1)c(F)ccc2C ZINC001085738845 1358723847 /nfs/dbraw/zinc/72/38/47/1358723847.db2.gz WGYPOUGPMMWFSL-AWEZNQCLSA-N 1 2 328.387 3.050 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@H]1CCC1(C)C ZINC001085775149 1358747816 /nfs/dbraw/zinc/74/78/16/1358747816.db2.gz QEJMVKPVQVGACS-ZWKOTPCHSA-N 1 2 325.456 3.027 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@H]1CCC1(C)C ZINC001085775149 1358747820 /nfs/dbraw/zinc/74/78/20/1358747820.db2.gz QEJMVKPVQVGACS-ZWKOTPCHSA-N 1 2 325.456 3.027 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@H]1CCC1(C)C ZINC001085775075 1358748300 /nfs/dbraw/zinc/74/83/00/1358748300.db2.gz OSHLGHAYVDQKHK-RTBURBONSA-N 1 2 342.458 3.146 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@H]1CCC1(C)C ZINC001085775075 1358748305 /nfs/dbraw/zinc/74/83/05/1358748305.db2.gz OSHLGHAYVDQKHK-RTBURBONSA-N 1 2 342.458 3.146 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccccc2C#N)CC1 ZINC001085798150 1358772681 /nfs/dbraw/zinc/77/26/81/1358772681.db2.gz KJYWMAOHLXUXHF-FQEVSTJZSA-N 1 2 337.467 3.337 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccccc2C#N)CC1 ZINC001085798150 1358772686 /nfs/dbraw/zinc/77/26/86/1358772686.db2.gz KJYWMAOHLXUXHF-FQEVSTJZSA-N 1 2 337.467 3.337 20 30 EGEDLO CN(C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N)C1CC(F)(F)C1 ZINC001183830416 1387355821 /nfs/dbraw/zinc/35/58/21/1387355821.db2.gz YFAOGOOREDOMTR-KRWDZBQOSA-N 1 2 347.409 3.169 20 30 EGEDLO CN(C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N)C1CC(F)(F)C1 ZINC001183830416 1387355825 /nfs/dbraw/zinc/35/58/25/1387355825.db2.gz YFAOGOOREDOMTR-KRWDZBQOSA-N 1 2 347.409 3.169 20 30 EGEDLO C[Si](C)(C)C#Cc1cccc(NC(=O)CCc2ccc(N)[nH+]c2)c1 ZINC001183934539 1387372637 /nfs/dbraw/zinc/37/26/37/1387372637.db2.gz KBFKOIHJDUMLAQ-UHFFFAOYSA-N 1 2 337.499 3.464 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001086582982 1359155663 /nfs/dbraw/zinc/15/56/63/1359155663.db2.gz PNCYIZORTNFYHM-GVDBMIGSSA-N 1 2 332.875 3.369 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001086582982 1359155665 /nfs/dbraw/zinc/15/56/65/1359155665.db2.gz PNCYIZORTNFYHM-GVDBMIGSSA-N 1 2 332.875 3.369 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)c2ccoc2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087502171 1359500680 /nfs/dbraw/zinc/50/06/80/1359500680.db2.gz RVRCGXXFCAIOQN-ZWKOTPCHSA-N 1 2 341.386 3.073 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)c2ccoc2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087502171 1359500684 /nfs/dbraw/zinc/50/06/84/1359500684.db2.gz RVRCGXXFCAIOQN-ZWKOTPCHSA-N 1 2 341.386 3.073 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)C2(C)CCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087688267 1359589592 /nfs/dbraw/zinc/58/95/92/1359589592.db2.gz ALBWMXCLXFUWMD-ZWKOTPCHSA-N 1 2 343.446 3.357 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)C2(C)CCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087688267 1359589595 /nfs/dbraw/zinc/58/95/95/1359589595.db2.gz ALBWMXCLXFUWMD-ZWKOTPCHSA-N 1 2 343.446 3.357 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(F)ccc3ccncc32)[C@H]1C ZINC001088581382 1359978813 /nfs/dbraw/zinc/97/88/13/1359978813.db2.gz PBYLYHHSTGBIHO-WBMJQRKESA-N 1 2 347.821 3.319 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(F)ccc3ccncc32)[C@H]1C ZINC001088581382 1359978817 /nfs/dbraw/zinc/97/88/17/1359978817.db2.gz PBYLYHHSTGBIHO-WBMJQRKESA-N 1 2 347.821 3.319 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3cc(C)ccc3O2)[C@H]1C ZINC001088747179 1360029334 /nfs/dbraw/zinc/02/93/34/1360029334.db2.gz NCEISVGQNREYEK-UWWQBHOKSA-N 1 2 348.874 3.020 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3cc(C)ccc3O2)[C@H]1C ZINC001088747179 1360029339 /nfs/dbraw/zinc/02/93/39/1360029339.db2.gz NCEISVGQNREYEK-UWWQBHOKSA-N 1 2 348.874 3.020 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3cc(C)ccc3O2)[C@H]1C ZINC001088747178 1360029499 /nfs/dbraw/zinc/02/94/99/1360029499.db2.gz NCEISVGQNREYEK-HFTRVMKXSA-N 1 2 348.874 3.020 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3cc(C)ccc3O2)[C@H]1C ZINC001088747178 1360029503 /nfs/dbraw/zinc/02/95/03/1360029503.db2.gz NCEISVGQNREYEK-HFTRVMKXSA-N 1 2 348.874 3.020 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)[C@@H](C)CO3)[C@H]1C ZINC001088808548 1360059256 /nfs/dbraw/zinc/05/92/56/1360059256.db2.gz LBUUXAIFPKWDCJ-GHJWDPDVSA-N 1 2 334.847 3.128 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)[C@@H](C)CO3)[C@H]1C ZINC001088808548 1360059259 /nfs/dbraw/zinc/05/92/59/1360059259.db2.gz LBUUXAIFPKWDCJ-GHJWDPDVSA-N 1 2 334.847 3.128 20 30 EGEDLO C/C=C(/C)C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC001089153772 1360208690 /nfs/dbraw/zinc/20/86/90/1360208690.db2.gz ZFQIYUSPSXIQIB-BXPWKZNBSA-N 1 2 343.446 3.476 20 30 EGEDLO C/C=C(/C)C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001089153772 1360208694 /nfs/dbraw/zinc/20/86/94/1360208694.db2.gz ZFQIYUSPSXIQIB-BXPWKZNBSA-N 1 2 343.446 3.476 20 30 EGEDLO C[N@@H+](Cc1c(F)cccc1F)C[C@@H]1CCCCN1C(=O)C#CC1CC1 ZINC001089175570 1360228885 /nfs/dbraw/zinc/22/88/85/1360228885.db2.gz 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C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1nc(C)oc1C ZINC001089716529 1360617760 /nfs/dbraw/zinc/61/77/60/1360617760.db2.gz KBDOBWQTVWZNAY-AWEZNQCLSA-N 1 2 339.867 3.264 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc(CC)on1 ZINC001089724984 1360628276 /nfs/dbraw/zinc/62/82/76/1360628276.db2.gz DGJTZONYSAFWBD-ZDUSSCGKSA-N 1 2 339.867 3.210 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc(CC)on1 ZINC001089724984 1360628282 /nfs/dbraw/zinc/62/82/82/1360628282.db2.gz DGJTZONYSAFWBD-ZDUSSCGKSA-N 1 2 339.867 3.210 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C12CCC2 ZINC001090613604 1360911512 /nfs/dbraw/zinc/91/15/12/1360911512.db2.gz OJASRYWALFNWOJ-HUUCEWRRSA-N 1 2 328.460 3.227 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001090806308 1360938795 /nfs/dbraw/zinc/93/87/95/1360938795.db2.gz FWOKPKRBMVPOJF-NVXWUHKLSA-N 1 2 342.487 3.043 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001091375467 1361067614 /nfs/dbraw/zinc/06/76/14/1361067614.db2.gz FPLHBDUEZKPRFS-FZNQNYSPSA-N 1 2 328.460 3.325 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)CC(C)(C)C1 ZINC001092079378 1361292047 /nfs/dbraw/zinc/29/20/47/1361292047.db2.gz CQCYISCMLXDAHQ-QGZVFWFLSA-N 1 2 344.503 3.479 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)CC(C)(C)C1 ZINC001092088990 1361298955 /nfs/dbraw/zinc/29/89/55/1361298955.db2.gz OGHIVTXHCHGOBC-KRWDZBQOSA-N 1 2 342.487 3.090 20 30 EGEDLO C=CCCC(=O)NCC[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001092484614 1361396366 /nfs/dbraw/zinc/39/63/66/1361396366.db2.gz UYRKSKUQOUGLGM-RHSMWYFYSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@H]21 ZINC001093336764 1361561756 /nfs/dbraw/zinc/56/17/56/1361561756.db2.gz PHCSWDGDMBDQPN-KMANFZQXSA-N 1 2 342.487 3.062 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[C@H]3CCC[C@H]3C)CC2)C1 ZINC001093539040 1361637511 /nfs/dbraw/zinc/63/75/11/1361637511.db2.gz MMUXQZDLUVLLLB-IAGOWNOFSA-N 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1361653253 /nfs/dbraw/zinc/65/32/53/1361653253.db2.gz ARSCOMAKWZFOJZ-UHFFFAOYSA-N 1 2 332.488 3.001 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C3CCC(C)(C)CC3)CC2)C1 ZINC001093599776 1361653519 /nfs/dbraw/zinc/65/35/19/1361653519.db2.gz BTUFEFNWOWASDU-UHFFFAOYSA-N 1 2 334.504 3.081 20 30 EGEDLO C=CCCOCCCCC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001093880433 1361711372 /nfs/dbraw/zinc/71/13/72/1361711372.db2.gz CIBCRQWUHORPMP-UHFFFAOYSA-N 1 2 348.491 3.200 20 30 EGEDLO Cc1cc(NCCCCCCNC(=O)[C@@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001094931459 1361949283 /nfs/dbraw/zinc/94/92/83/1361949283.db2.gz KOWRRPUMCUHIQG-AWEZNQCLSA-N 1 2 331.464 3.157 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CCCC2)C3)c1 ZINC001095089377 1362009907 /nfs/dbraw/zinc/00/99/07/1362009907.db2.gz ZHDROCBRQOQSKN-NEWSRXKRSA-N 1 2 341.430 3.109 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CCCC2)C3)c1 ZINC001095089377 1362009911 /nfs/dbraw/zinc/00/99/11/1362009911.db2.gz ZHDROCBRQOQSKN-NEWSRXKRSA-N 1 2 341.430 3.109 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095137906 1362028868 /nfs/dbraw/zinc/02/88/68/1362028868.db2.gz XTFPJIGSFMFTPT-INIZCTEOSA-N 1 2 328.460 3.056 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC=CCC1)C2 ZINC001095165720 1362038847 /nfs/dbraw/zinc/03/88/47/1362038847.db2.gz ROYCJOHZHYIHNR-XCLNPWKQSA-N 1 2 335.451 3.136 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC=CCC1)C2 ZINC001095165720 1362038849 /nfs/dbraw/zinc/03/88/49/1362038849.db2.gz ROYCJOHZHYIHNR-XCLNPWKQSA-N 1 2 335.451 3.136 20 30 EGEDLO C=CCCCC(=O)N1CCCN(c2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001095202961 1362051773 /nfs/dbraw/zinc/05/17/73/1362051773.db2.gz ZOCVWBDQPHSRIU-UHFFFAOYSA-N 1 2 342.487 3.059 20 30 EGEDLO Cc1cc(NC2CCN(C(=O)C#CC(C)(C)C)CC2)nc(C2CC2)[nH+]1 ZINC001095226210 1362058630 /nfs/dbraw/zinc/05/86/30/1362058630.db2.gz AOMNBEOCCYOAOK-UHFFFAOYSA-N 1 2 340.471 3.115 20 30 EGEDLO C=CCC1(C(=O)NC2CCN(c3nc(C)[nH+]c(C)c3C)CC2)CCC1 ZINC001095444384 1362143090 /nfs/dbraw/zinc/14/30/90/1362143090.db2.gz ITGMJJLJPNOIBS-UHFFFAOYSA-N 1 2 342.487 3.233 20 30 EGEDLO CC#CCCCC(=O)N1CCCC[C@H]1[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001095802439 1362235118 /nfs/dbraw/zinc/23/51/18/1362235118.db2.gz QXBWTMYKVGCLPG-RDJZCZTQSA-N 1 2 328.460 3.160 20 30 EGEDLO CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)CCC1 ZINC001095877259 1362265196 /nfs/dbraw/zinc/26/51/96/1362265196.db2.gz CJNALJCCHJSFBF-NJAFHUGGSA-N 1 2 341.430 3.109 20 30 EGEDLO CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)CCC1 ZINC001095877259 1362265202 /nfs/dbraw/zinc/26/52/02/1362265202.db2.gz CJNALJCCHJSFBF-NJAFHUGGSA-N 1 2 341.430 3.109 20 30 EGEDLO Cc1cc(N(CCCNC(=O)C#CC(C)C)C2CC2)nc(C(C)C)[nH+]1 ZINC001096030139 1362340659 /nfs/dbraw/zinc/34/06/59/1362340659.db2.gz DSLWJXPCKBBMDY-UHFFFAOYSA-N 1 2 342.487 3.043 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N(C)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001096124324 1362394769 /nfs/dbraw/zinc/39/47/69/1362394769.db2.gz OIAQQZYPDDRJIB-UONOGXRCSA-N 1 2 344.503 3.287 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096207891 1362431628 /nfs/dbraw/zinc/43/16/28/1362431628.db2.gz DIEKDNJPYMPGSK-MRXNPFEDSA-N 1 2 330.476 3.350 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096438297 1362512702 /nfs/dbraw/zinc/51/27/02/1362512702.db2.gz OYNISTAACCMWCC-KRWDZBQOSA-N 1 2 342.487 3.372 20 30 EGEDLO C[C@@H](NC(=O)Nc1sc2c(c1C#N)CC[N@@H+](C)C2)c1ccccc1 ZINC001184983491 1387579921 /nfs/dbraw/zinc/57/99/21/1387579921.db2.gz VYBBVDHWUBTLKM-GFCCVEGCSA-N 1 2 340.452 3.490 20 30 EGEDLO C[C@@H](NC(=O)Nc1sc2c(c1C#N)CC[N@H+](C)C2)c1ccccc1 ZINC001184983491 1387579925 /nfs/dbraw/zinc/57/99/25/1387579925.db2.gz VYBBVDHWUBTLKM-GFCCVEGCSA-N 1 2 340.452 3.490 20 30 EGEDLO C#CCCCCC(=O)NC[C@H](Nc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001096653899 1362617618 /nfs/dbraw/zinc/61/76/18/1362617618.db2.gz CBZAQYUOSYIHSU-KRWDZBQOSA-N 1 2 342.487 3.409 20 30 EGEDLO C#CCC1(C(=O)NC[C@H](Nc2cc[nH+]c(C)n2)C2CC2)CCCCC1 ZINC001096680212 1362634297 /nfs/dbraw/zinc/63/42/97/1362634297.db2.gz RYKUKRRDKLKUJS-KRWDZBQOSA-N 1 2 340.471 3.066 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)co1 ZINC001097005988 1362809836 /nfs/dbraw/zinc/80/98/36/1362809836.db2.gz QNUMFMKCZCJTPV-XYPHTWIQSA-N 1 2 341.436 3.057 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)co1 ZINC001097005988 1362809839 /nfs/dbraw/zinc/80/98/39/1362809839.db2.gz QNUMFMKCZCJTPV-XYPHTWIQSA-N 1 2 341.436 3.057 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[C@@H]1CCCCO1)C2 ZINC001097087716 1362837566 /nfs/dbraw/zinc/83/75/66/1362837566.db2.gz WWXBPZNBCMBTNU-WCVJEAGWSA-N 1 2 340.895 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[C@@H]1CCCCO1)C2 ZINC001097087716 1362837570 /nfs/dbraw/zinc/83/75/70/1362837570.db2.gz WWXBPZNBCMBTNU-WCVJEAGWSA-N 1 2 340.895 3.056 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097337486 1362940420 /nfs/dbraw/zinc/94/04/20/1362940420.db2.gz JHYBWZCQSRPGER-KRWDZBQOSA-N 1 2 330.476 3.091 20 30 EGEDLO C=CCC1(C(=O)N[C@H](C)[C@H]2CCCN(c3cc[nH+]c(C)n3)C2)CCC1 ZINC001097542987 1363050686 /nfs/dbraw/zinc/05/06/86/1363050686.db2.gz NIFYEFUOCBYULL-WBVHZDCISA-N 1 2 342.487 3.253 20 30 EGEDLO C=CCC(CC=C)C(=O)N1C[C@@H]2CC[C@H](Nc3cc[nH+]c(C)n3)[C@H]2C1 ZINC001097602650 1363068177 /nfs/dbraw/zinc/06/81/77/1363068177.db2.gz WRHVOZIAXSIWIL-BZSNNMDCSA-N 1 2 340.471 3.202 20 30 EGEDLO CC(C)C#CC(=O)NC[C@@H](C)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001097823816 1363131490 /nfs/dbraw/zinc/13/14/90/1363131490.db2.gz YCRJKDAXAQNAFA-OAHLLOKOSA-N 1 2 330.476 3.299 20 30 EGEDLO C=CCO[C@@H](C)C(=O)NC[C@@H](C)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001097918924 1363166697 /nfs/dbraw/zinc/16/66/97/1363166697.db2.gz CKVHDTHSQCYNSF-CABCVRRESA-N 1 2 348.491 3.231 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001098188236 1363248552 /nfs/dbraw/zinc/24/85/52/1363248552.db2.gz DOJMDZYMLIQYIQ-OAHLLOKOSA-N 1 2 328.460 3.163 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001098524259 1363353674 /nfs/dbraw/zinc/35/36/74/1363353674.db2.gz RLUPCZRYIBBJRG-MRXNPFEDSA-N 1 2 340.471 3.116 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CCC[C@@H](Nc3cc[nH+]c(C)n3)C2)CC1 ZINC001098651900 1363418332 /nfs/dbraw/zinc/41/83/32/1363418332.db2.gz OJIMZNOEWCTSDA-CVEARBPZSA-N 1 2 328.460 3.371 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC=C(Cl)Cl ZINC001098981713 1363554741 /nfs/dbraw/zinc/55/47/41/1363554741.db2.gz FJSYPFARMLURHX-VXGBXAGGSA-N 1 2 332.275 3.072 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC=C(Cl)Cl ZINC001098981713 1363554745 /nfs/dbraw/zinc/55/47/45/1363554745.db2.gz FJSYPFARMLURHX-VXGBXAGGSA-N 1 2 332.275 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](OCC)C(C)C ZINC001099074675 1363609882 /nfs/dbraw/zinc/60/98/82/1363609882.db2.gz PTIMOXHCMYFSGZ-HZPDHXFCSA-N 1 2 344.927 3.407 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](OCC)C(C)C ZINC001099074675 1363609883 /nfs/dbraw/zinc/60/98/83/1363609883.db2.gz PTIMOXHCMYFSGZ-HZPDHXFCSA-N 1 2 344.927 3.407 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1coc(C)n1 ZINC001099098043 1363619996 /nfs/dbraw/zinc/61/99/96/1363619996.db2.gz HXROHOCJJOGQRO-KRWDZBQOSA-N 1 2 333.476 3.446 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1coc(C)n1 ZINC001099098043 1363619999 /nfs/dbraw/zinc/61/99/99/1363619999.db2.gz HXROHOCJJOGQRO-KRWDZBQOSA-N 1 2 333.476 3.446 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nccc(C)n1 ZINC001099097820 1363620550 /nfs/dbraw/zinc/62/05/50/1363620550.db2.gz DTEPLDHVUGVGEK-KRWDZBQOSA-N 1 2 344.503 3.248 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nccc(C)n1 ZINC001099097820 1363620551 /nfs/dbraw/zinc/62/05/51/1363620551.db2.gz DTEPLDHVUGVGEK-KRWDZBQOSA-N 1 2 344.503 3.248 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1cc(C)on1 ZINC001099165055 1363665040 /nfs/dbraw/zinc/66/50/40/1363665040.db2.gz JPTIYIMBEBVVNM-INIZCTEOSA-N 1 2 333.476 3.302 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1cc(C)on1 ZINC001099165055 1363665044 /nfs/dbraw/zinc/66/50/44/1363665044.db2.gz JPTIYIMBEBVVNM-INIZCTEOSA-N 1 2 333.476 3.302 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nonc1C ZINC001099188978 1363681420 /nfs/dbraw/zinc/68/14/20/1363681420.db2.gz LXUOTTWHSRHJOC-GDBMZVCRSA-N 1 2 348.491 3.087 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nonc1C ZINC001099188978 1363681424 /nfs/dbraw/zinc/68/14/24/1363681424.db2.gz LXUOTTWHSRHJOC-GDBMZVCRSA-N 1 2 348.491 3.087 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nonc1C ZINC001099188979 1363681521 /nfs/dbraw/zinc/68/15/21/1363681521.db2.gz LXUOTTWHSRHJOC-GOEBONIOSA-N 1 2 348.491 3.087 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nonc1C ZINC001099188979 1363681524 /nfs/dbraw/zinc/68/15/24/1363681524.db2.gz LXUOTTWHSRHJOC-GOEBONIOSA-N 1 2 348.491 3.087 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccn(C)n1 ZINC001099194723 1363685736 /nfs/dbraw/zinc/68/57/36/1363685736.db2.gz RIZBAGIVOQKZTK-SJLPKXTDSA-N 1 2 346.519 3.129 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccn(C)n1 ZINC001099194723 1363685740 /nfs/dbraw/zinc/68/57/40/1363685740.db2.gz RIZBAGIVOQKZTK-SJLPKXTDSA-N 1 2 346.519 3.129 20 30 EGEDLO C=CCCC(=O)NCCC[C@@H]1CCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001099831795 1363954062 /nfs/dbraw/zinc/95/40/62/1363954062.db2.gz UVQQLWYSBRELSA-QGZVFWFLSA-N 1 2 342.487 3.494 20 30 EGEDLO C=C(C)CCC(=O)NCCN(c1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001101394417 1364543890 /nfs/dbraw/zinc/54/38/90/1364543890.db2.gz KHTZNTYOZOMUHR-UHFFFAOYSA-N 1 2 328.460 3.104 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)CCCCCC)c1nccn12 ZINC001101648162 1364670969 /nfs/dbraw/zinc/67/09/69/1364670969.db2.gz VIUFENUPTHREPK-DLBZAZTESA-N 1 2 344.503 3.248 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H](CC)C(C)(C)C)c1nccn12 ZINC001101650819 1364673198 /nfs/dbraw/zinc/67/31/98/1364673198.db2.gz CFBUYBOGUJJGGE-HOTGVXAUSA-N 1 2 344.503 3.103 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)CCC1CCCCC1)c1nccn12 ZINC001101650810 1364673719 /nfs/dbraw/zinc/67/37/19/1364673719.db2.gz BWRZSMPCRPJNNJ-KRWDZBQOSA-N 1 2 342.487 3.002 20 30 EGEDLO C=CCC(CC=C)C(=O)NCCCN(c1cc[nH+]c(C)n1)C(C)C ZINC001102121997 1364871488 /nfs/dbraw/zinc/87/14/88/1364871488.db2.gz BFLDSGCBUXKMEN-UHFFFAOYSA-N 1 2 330.476 3.275 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NCCCN(c1cc[nH+]c(C)n1)C(C)C ZINC001102121467 1364871564 /nfs/dbraw/zinc/87/15/64/1364871564.db2.gz ZIMPYODYZORVMP-UHFFFAOYSA-N 1 2 338.883 3.285 20 30 EGEDLO Cc1cc(N[C@@H](CNC(=O)[C@H](C)C#N)c2ccccc2)nc(C2CC2)[nH+]1 ZINC001102163312 1364902944 /nfs/dbraw/zinc/90/29/44/1364902944.db2.gz AQLJMTHGODTWSL-DYVFJYSZSA-N 1 2 349.438 3.092 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N(C)[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102753344 1365202409 /nfs/dbraw/zinc/20/24/09/1365202409.db2.gz WXXWNCDGNVBOGW-IRXDYDNUSA-N 1 2 330.476 3.041 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102884191 1365272808 /nfs/dbraw/zinc/27/28/08/1365272808.db2.gz MNNJTKKZBZVVRH-XLIONFOSSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCC[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001102941979 1365306636 /nfs/dbraw/zinc/30/66/36/1365306636.db2.gz QCUHASZBSBSXKQ-VQIMIIECSA-N 1 2 330.476 3.110 20 30 EGEDLO N#CCc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)c1 ZINC001324689589 1387738427 /nfs/dbraw/zinc/73/84/27/1387738427.db2.gz FDKZQARTRDVHEX-IBGZPJMESA-N 1 2 334.423 3.141 20 30 EGEDLO N#CCc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)c1 ZINC001324689589 1387738430 /nfs/dbraw/zinc/73/84/30/1387738430.db2.gz FDKZQARTRDVHEX-IBGZPJMESA-N 1 2 334.423 3.141 20 30 EGEDLO C=CCCC(=O)N[C@@](C)(CNc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001103491402 1365594393 /nfs/dbraw/zinc/59/43/93/1365594393.db2.gz MLGUQMJLHVBHNJ-IBGZPJMESA-N 1 2 328.460 3.325 20 30 EGEDLO Cc1cc(NC[C@@](C)(NC(=O)C#CC2CC2)C2CC2)nc(C(C)C)[nH+]1 ZINC001103530159 1365616389 /nfs/dbraw/zinc/61/63/89/1365616389.db2.gz DGEUGNDCVXYPLC-HXUWFJFHSA-N 1 2 340.471 3.019 20 30 EGEDLO CC#CCCCC(=O)NCc1ccc(CNc2cc[nH+]c(C)n2)cc1 ZINC001103664373 1365712648 /nfs/dbraw/zinc/71/26/48/1365712648.db2.gz ZIGWIHBSKNRORN-UHFFFAOYSA-N 1 2 336.439 3.207 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCC[C@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001103771286 1365775795 /nfs/dbraw/zinc/77/57/95/1365775795.db2.gz LBLBYPQARBSMSY-ZWKOTPCHSA-N 1 2 344.503 3.479 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001103822469 1365798291 /nfs/dbraw/zinc/79/82/91/1365798291.db2.gz OMKRALLIWOXRIK-MRXNPFEDSA-N 1 2 328.460 3.422 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC2(CCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001103829970 1365803139 /nfs/dbraw/zinc/80/31/39/1365803139.db2.gz IJTAIKOCLOPLLJ-HOTGVXAUSA-N 1 2 342.487 3.062 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC2(CCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001103829969 1365803147 /nfs/dbraw/zinc/80/31/47/1365803147.db2.gz IJTAIKOCLOPLLJ-CVEARBPZSA-N 1 2 342.487 3.062 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H](C)CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001104212217 1365953693 /nfs/dbraw/zinc/95/36/93/1365953693.db2.gz YOJPIKJHQWDHTJ-AWEZNQCLSA-N 1 2 342.487 3.184 20 30 EGEDLO C=CCCCC(=O)N(C)[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104785582 1366171658 /nfs/dbraw/zinc/17/16/58/1366171658.db2.gz XIDOBAXABSINCQ-CQSZACIVSA-N 1 2 330.476 3.279 20 30 EGEDLO Cc1nc(NC[C@H](NC(=O)C#CC(C)(C)C)C2CCCCC2)cc[nH+]1 ZINC001105019284 1366278436 /nfs/dbraw/zinc/27/84/36/1366278436.db2.gz LXUYQWOVSZGIGQ-KRWDZBQOSA-N 1 2 342.487 3.312 20 30 EGEDLO CC#CCCCC(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C1CCCCC1 ZINC001105023823 1366282178 /nfs/dbraw/zinc/28/21/78/1366282178.db2.gz FIPNUBDDZKVYDN-SFHVURJKSA-N 1 2 342.487 3.456 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[C@@H]([C@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001105081197 1366313964 /nfs/dbraw/zinc/31/39/64/1366313964.db2.gz HXCAMSHYSLBLRF-FUHWJXTLSA-N 1 2 342.487 3.408 20 30 EGEDLO C=CCC(CC=C)C(=O)N(C)CCN(C)c1nc(C)[nH+]c(C)c1C ZINC001105480298 1366487191 /nfs/dbraw/zinc/48/71/91/1366487191.db2.gz LBPACDRFSVNZKT-UHFFFAOYSA-N 1 2 330.476 3.065 20 30 EGEDLO C=C[C@H](CC)CC(=O)N(C)CCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001105536870 1366516812 /nfs/dbraw/zinc/51/68/12/1366516812.db2.gz DHIDENLFQNYURQ-MRXNPFEDSA-N 1 2 332.492 3.405 20 30 EGEDLO Cc1cc(NC[C@@H]2CCC[C@@H]2NC(=O)C#CC(C)C)nc(C2CC2)[nH+]1 ZINC001105662871 1366563359 /nfs/dbraw/zinc/56/33/59/1366563359.db2.gz LFVQAOXZJPAMKC-IRXDYDNUSA-N 1 2 340.471 3.019 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC001105674383 1366566538 /nfs/dbraw/zinc/56/65/38/1366566538.db2.gz DSWNJVZSUGDYKE-IRXDYDNUSA-N 1 2 328.460 3.250 20 30 EGEDLO C#CCCCCC(=O)N[C@H](C)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106278248 1366641699 /nfs/dbraw/zinc/64/16/99/1366641699.db2.gz SSJAHZNWORFTOA-CQSZACIVSA-N 1 2 328.460 3.163 20 30 EGEDLO C=CC[C@@H](C(=O)N[C@H](C)CCNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001106349731 1366664405 /nfs/dbraw/zinc/66/44/05/1366664405.db2.gz VHZQYUSYMZJXPD-CRAIPNDOSA-N 1 2 338.455 3.452 20 30 EGEDLO C=C(C)CCC(=O)N[C@H](C)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001106457484 1366701988 /nfs/dbraw/zinc/70/19/88/1366701988.db2.gz PZVZKXQPVOHEFL-CQSZACIVSA-N 1 2 330.476 3.327 20 30 EGEDLO Cc1cc(NC/C=C/CNC(=O)C#CC(C)(C)C)nc(C(C)C)[nH+]1 ZINC001107158318 1366882826 /nfs/dbraw/zinc/88/28/26/1366882826.db2.gz NDQHGDXJGBMWNW-BQYQJAHWSA-N 1 2 328.460 3.042 20 30 EGEDLO C#CCC1(C(=O)NC/C=C\CNc2cc(C)[nH+]c(C(C)C)n2)CCC1 ZINC001107381264 1366947407 /nfs/dbraw/zinc/94/74/07/1366947407.db2.gz HNEZCWUVTDGTDN-SREVYHEPSA-N 1 2 340.471 3.186 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NC/C=C/CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107456247 1366969813 /nfs/dbraw/zinc/96/98/13/1366969813.db2.gz KQDOFYRLSWNRQK-JJGIJDNGSA-N 1 2 342.487 3.206 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109153516 1366978723 /nfs/dbraw/zinc/97/87/23/1366978723.db2.gz QBUSYIFDZPXKRU-PVAVHDDUSA-N 1 2 345.393 3.182 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109153516 1366978729 /nfs/dbraw/zinc/97/87/29/1366978729.db2.gz QBUSYIFDZPXKRU-PVAVHDDUSA-N 1 2 345.393 3.182 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)C(C)C)C1 ZINC001189329087 1366993910 /nfs/dbraw/zinc/99/39/10/1366993910.db2.gz XITFXASFBWMPJJ-TZMCWYRMSA-N 1 2 331.298 3.110 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)C(C)C)C1 ZINC001189329087 1366993914 /nfs/dbraw/zinc/99/39/14/1366993914.db2.gz XITFXASFBWMPJJ-TZMCWYRMSA-N 1 2 331.298 3.110 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1csnn1)CC2 ZINC001107514911 1367013006 /nfs/dbraw/zinc/01/30/06/1367013006.db2.gz CFMFTCOBLOCQFB-YXJHDRRASA-N 1 2 348.516 3.001 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1csnn1)CC2 ZINC001107514911 1367013012 /nfs/dbraw/zinc/01/30/12/1367013012.db2.gz CFMFTCOBLOCQFB-YXJHDRRASA-N 1 2 348.516 3.001 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)/C=C\C(C)(C)C)C1 ZINC001189430148 1367021616 /nfs/dbraw/zinc/02/16/16/1367021616.db2.gz XONDYUUGFNEBJV-YPLUBFQTSA-N 1 2 343.446 3.332 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)/C=C\C(C)(C)C)C1 ZINC001189430148 1367021625 /nfs/dbraw/zinc/02/16/25/1367021625.db2.gz XONDYUUGFNEBJV-YPLUBFQTSA-N 1 2 343.446 3.332 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1Cl ZINC001109246391 1367024529 /nfs/dbraw/zinc/02/45/29/1367024529.db2.gz XYTUDXTYTRESAB-PVAVHDDUSA-N 1 2 348.849 3.360 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1Cl ZINC001109246391 1367024535 /nfs/dbraw/zinc/02/45/35/1367024535.db2.gz XYTUDXTYTRESAB-PVAVHDDUSA-N 1 2 348.849 3.360 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1cc(F)ccc1F ZINC001109251804 1367027301 /nfs/dbraw/zinc/02/73/01/1367027301.db2.gz LOBNKJMYBOEGCF-MDUILUSMSA-N 1 2 346.421 3.407 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1cc(F)ccc1F ZINC001109251804 1367027306 /nfs/dbraw/zinc/02/73/06/1367027306.db2.gz LOBNKJMYBOEGCF-MDUILUSMSA-N 1 2 346.421 3.407 20 30 EGEDLO C=CCC(C)(C)C(=O)NC/C=C/CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107541246 1367030631 /nfs/dbraw/zinc/03/06/31/1367030631.db2.gz QAWQTLRCKLBSBK-VOTSOKGWSA-N 1 2 328.460 3.349 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@H]([N@H+](C)Cc2csc(C3CC3)n2)C1 ZINC001189704698 1367091134 /nfs/dbraw/zinc/09/11/34/1367091134.db2.gz DHJRKDBUVFIFIV-KRWDZBQOSA-N 1 2 345.512 3.247 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2csc(C3CC3)n2)C1 ZINC001189704698 1367091139 /nfs/dbraw/zinc/09/11/39/1367091139.db2.gz DHJRKDBUVFIFIV-KRWDZBQOSA-N 1 2 345.512 3.247 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2csc(CCC)n2)C1 ZINC001189743284 1367099093 /nfs/dbraw/zinc/09/90/93/1367099093.db2.gz AFFXXBXHDLYOLY-KRWDZBQOSA-N 1 2 347.528 3.322 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@H]([N@H+](C)Cc2csc(CCC)n2)C1 ZINC001189743284 1367099096 /nfs/dbraw/zinc/09/90/96/1367099096.db2.gz AFFXXBXHDLYOLY-KRWDZBQOSA-N 1 2 347.528 3.322 20 30 EGEDLO CC(C)c1cc(NC[C@@H](C)NC(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001107720177 1367117088 /nfs/dbraw/zinc/11/70/88/1367117088.db2.gz QWUZQDAJHIYDOC-CQSZACIVSA-N 1 2 328.460 3.053 20 30 EGEDLO C#CCCCC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC001189925945 1367132270 /nfs/dbraw/zinc/13/22/70/1367132270.db2.gz INYVIDLOSRUPDY-CVEARBPZSA-N 1 2 345.487 3.369 20 30 EGEDLO C#CCCCC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC001189925945 1367132277 /nfs/dbraw/zinc/13/22/77/1367132277.db2.gz INYVIDLOSRUPDY-CVEARBPZSA-N 1 2 345.487 3.369 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001189937284 1367134705 /nfs/dbraw/zinc/13/47/05/1367134705.db2.gz VJZRDSGJLQGSLP-FUHWJXTLSA-N 1 2 333.476 3.458 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001189937284 1367134713 /nfs/dbraw/zinc/13/47/13/1367134713.db2.gz VJZRDSGJLQGSLP-FUHWJXTLSA-N 1 2 333.476 3.458 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2coc3ccc(CC)cc32)C1 ZINC001107947226 1367213611 /nfs/dbraw/zinc/21/36/11/1367213611.db2.gz FTHNHFWUDVDNJO-FQEVSTJZSA-N 1 2 342.439 3.002 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2coc3ccc(CC)cc32)C1 ZINC001107947226 1367213618 /nfs/dbraw/zinc/21/36/18/1367213618.db2.gz FTHNHFWUDVDNJO-FQEVSTJZSA-N 1 2 342.439 3.002 20 30 EGEDLO C=CCCCC(=O)N(C)CCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001109600417 1367223470 /nfs/dbraw/zinc/22/34/70/1367223470.db2.gz TVAAMIHWIUFVTM-UHFFFAOYSA-N 1 2 330.476 3.281 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2ncc(C)o2)C1 ZINC001190354709 1367236674 /nfs/dbraw/zinc/23/66/74/1367236674.db2.gz OADYYWLGZIDBPZ-DOTOQJQBSA-N 1 2 331.460 3.345 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2ncc(C)o2)C1 ZINC001190354709 1367236677 /nfs/dbraw/zinc/23/66/77/1367236677.db2.gz OADYYWLGZIDBPZ-DOTOQJQBSA-N 1 2 331.460 3.345 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)cs1 ZINC001109631450 1367250523 /nfs/dbraw/zinc/25/05/23/1367250523.db2.gz BWQHFHNCUTYNDW-UKMLZYKCSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001109631450 1367250525 /nfs/dbraw/zinc/25/05/25/1367250525.db2.gz BWQHFHNCUTYNDW-UKMLZYKCSA-N 1 2 333.501 3.275 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc3cccc(C)c3s2)C1 ZINC001108038636 1367254095 /nfs/dbraw/zinc/25/40/95/1367254095.db2.gz XHBJHNHJQWCTFR-IBGZPJMESA-N 1 2 344.480 3.216 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc3cccc(C)c3s2)C1 ZINC001108038636 1367254101 /nfs/dbraw/zinc/25/41/01/1367254101.db2.gz XHBJHNHJQWCTFR-IBGZPJMESA-N 1 2 344.480 3.216 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C3CCCC3)n2)C1 ZINC001190428522 1367263167 /nfs/dbraw/zinc/26/31/67/1367263167.db2.gz LGNORIORABSIEF-IBGZPJMESA-N 1 2 344.503 3.387 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C3CCCC3)n2)C1 ZINC001190428522 1367263173 /nfs/dbraw/zinc/26/31/73/1367263173.db2.gz LGNORIORABSIEF-IBGZPJMESA-N 1 2 344.503 3.387 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](CCCCC)C(C)C)C1 ZINC001108328221 1367393019 /nfs/dbraw/zinc/39/30/19/1367393019.db2.gz DBYFBBYGEMZNRI-QUCCMNQESA-N 1 2 336.520 3.069 20 30 EGEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](CCCCC)C(C)C)C1 ZINC001108328221 1367393022 /nfs/dbraw/zinc/39/30/22/1367393022.db2.gz DBYFBBYGEMZNRI-QUCCMNQESA-N 1 2 336.520 3.069 20 30 EGEDLO CCCCCCCCNC(=O)NCc1c[nH+]cn1C1CCOCC1 ZINC001191081573 1367420298 /nfs/dbraw/zinc/42/02/98/1367420298.db2.gz UTJIENYOITYCIA-UHFFFAOYSA-N 1 2 336.480 3.394 20 30 EGEDLO C=CC[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001108409282 1367437848 /nfs/dbraw/zinc/43/78/48/1367437848.db2.gz DGRYXVFQYNGRQW-YJBOKZPZSA-N 1 2 338.455 3.137 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(CC)(CC)c2ccccc2)C1 ZINC001108412228 1367440140 /nfs/dbraw/zinc/44/01/40/1367440140.db2.gz IGZMTRVKPHCFNF-FQEVSTJZSA-N 1 2 344.499 3.138 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C(CC)(CC)c2ccccc2)C1 ZINC001108412228 1367440143 /nfs/dbraw/zinc/44/01/43/1367440143.db2.gz IGZMTRVKPHCFNF-FQEVSTJZSA-N 1 2 344.499 3.138 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)(C)C(F)(F)F)C2 ZINC001110048073 1367482620 /nfs/dbraw/zinc/48/26/20/1367482620.db2.gz KQZSHSMLTRDXSI-WOPDTQHZSA-N 1 2 338.801 3.439 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)(C)C(F)(F)F)C2 ZINC001110048073 1367482622 /nfs/dbraw/zinc/48/26/22/1367482622.db2.gz KQZSHSMLTRDXSI-WOPDTQHZSA-N 1 2 338.801 3.439 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001108652278 1367515949 /nfs/dbraw/zinc/51/59/49/1367515949.db2.gz VWWMPQWRUVXOEH-ZDUSSCGKSA-N 1 2 330.476 3.183 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001108659000 1367518573 /nfs/dbraw/zinc/51/85/73/1367518573.db2.gz MQGJLYZQXYPLLA-DZGCQCFKSA-N 1 2 330.476 3.183 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCC1(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001110303086 1367623663 /nfs/dbraw/zinc/62/36/63/1367623663.db2.gz CESQULXEFTZZDA-KBPBESRZSA-N 1 2 342.487 3.183 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCC1(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001110305846 1367626960 /nfs/dbraw/zinc/62/69/60/1367626960.db2.gz PXVRZKRUMZPUQK-HNNXBMFYSA-N 1 2 342.487 3.327 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2nc(C)c(C)s2)C1 ZINC001191890821 1367627492 /nfs/dbraw/zinc/62/74/92/1367627492.db2.gz URFVGYZPBJJHDZ-CVEARBPZSA-N 1 2 335.517 3.395 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2nc(C)c(C)s2)C1 ZINC001191890821 1367627500 /nfs/dbraw/zinc/62/75/00/1367627500.db2.gz URFVGYZPBJJHDZ-CVEARBPZSA-N 1 2 335.517 3.395 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C(C)(C)C)o2)C1 ZINC001192059948 1367677324 /nfs/dbraw/zinc/67/73/24/1367677324.db2.gz KYQRZDAMJQZOGJ-OAHLLOKOSA-N 1 2 333.476 3.361 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C(C)(C)C)o2)C1 ZINC001192059948 1367677328 /nfs/dbraw/zinc/67/73/28/1367677328.db2.gz KYQRZDAMJQZOGJ-OAHLLOKOSA-N 1 2 333.476 3.361 20 30 EGEDLO N#Cc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c(C(F)(F)F)c1 ZINC001192091356 1367684989 /nfs/dbraw/zinc/68/49/89/1367684989.db2.gz JCSLJAFMTAFWMN-UHFFFAOYSA-N 1 2 348.328 3.251 20 30 EGEDLO C=CCC1(C(=O)N[C@@H](C)CN(C)c2cc[nH+]c(C)n2)CCCCC1 ZINC001108983447 1367700229 /nfs/dbraw/zinc/70/02/29/1367700229.db2.gz FBDIVUJWMQDENY-HNNXBMFYSA-N 1 2 330.476 3.253 20 30 EGEDLO CC/C=C(\C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109016649 1367720059 /nfs/dbraw/zinc/72/00/59/1367720059.db2.gz XUZNRWFKDNQCTB-DQRGMHJISA-N 1 2 341.430 3.275 20 30 EGEDLO CC/C=C(\C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109016649 1367720064 /nfs/dbraw/zinc/72/00/64/1367720064.db2.gz XUZNRWFKDNQCTB-DQRGMHJISA-N 1 2 341.430 3.275 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3csc(CC)n3)C2)CC1 ZINC001192217841 1367720224 /nfs/dbraw/zinc/72/02/24/1367720224.db2.gz KTHTYVMQAAYTFX-INIZCTEOSA-N 1 2 347.528 3.485 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3csc(CC)n3)C2)CC1 ZINC001192217841 1367720230 /nfs/dbraw/zinc/72/02/30/1367720230.db2.gz KTHTYVMQAAYTFX-INIZCTEOSA-N 1 2 347.528 3.485 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3coc(C4CC4)n3)C2)CC1 ZINC001192218876 1367721610 /nfs/dbraw/zinc/72/16/10/1367721610.db2.gz XHGAYNSRXVDCRU-QGZVFWFLSA-N 1 2 343.471 3.331 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3coc(C4CC4)n3)C2)CC1 ZINC001192218876 1367721616 /nfs/dbraw/zinc/72/16/16/1367721616.db2.gz XHGAYNSRXVDCRU-QGZVFWFLSA-N 1 2 343.471 3.331 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)[C@H](C)c3ncc(C)o3)C2)CCC1 ZINC001192218799 1367722117 /nfs/dbraw/zinc/72/21/17/1367722117.db2.gz WONHOQZMBXLRDO-CVEARBPZSA-N 1 2 331.460 3.323 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)[C@H](C)c3ncc(C)o3)C2)CCC1 ZINC001192218799 1367722123 /nfs/dbraw/zinc/72/21/23/1367722123.db2.gz WONHOQZMBXLRDO-CVEARBPZSA-N 1 2 331.460 3.323 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@]2(C1)CCCN(c1cc[nH+]c(C)n1)C2 ZINC001110458616 1367745770 /nfs/dbraw/zinc/74/57/70/1367745770.db2.gz KCGOXCAWGZSWEP-HXUWFJFHSA-N 1 2 342.487 3.206 20 30 EGEDLO CCC[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109094333 1367765289 /nfs/dbraw/zinc/76/52/89/1367765289.db2.gz XZORIMZTKVUOJV-OLQIXAPSSA-N 1 2 343.446 3.355 20 30 EGEDLO CCC[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109094333 1367765297 /nfs/dbraw/zinc/76/52/97/1367765297.db2.gz XZORIMZTKVUOJV-OLQIXAPSSA-N 1 2 343.446 3.355 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC1(C)CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001110605218 1367867611 /nfs/dbraw/zinc/86/76/11/1367867611.db2.gz HHHDYCGRMVELQQ-CQSZACIVSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC1(C)CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001110605259 1367868323 /nfs/dbraw/zinc/86/83/23/1367868323.db2.gz JEODMAKCABUOIL-QGZVFWFLSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)CC(C)C)C1 ZINC001193087915 1367940269 /nfs/dbraw/zinc/94/02/69/1367940269.db2.gz MQZDVTGFMWUTIT-TZMCWYRMSA-N 1 2 331.298 3.110 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)CC(C)C)C1 ZINC001193087915 1367940273 /nfs/dbraw/zinc/94/02/73/1367940273.db2.gz MQZDVTGFMWUTIT-TZMCWYRMSA-N 1 2 331.298 3.110 20 30 EGEDLO CC(C)C[C@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001193088383 1367941702 /nfs/dbraw/zinc/94/17/02/1367941702.db2.gz UUADJIXSNGNULN-KXBFYZLASA-N 1 2 345.462 3.412 20 30 EGEDLO CC(C)C[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001193088383 1367941708 /nfs/dbraw/zinc/94/17/08/1367941708.db2.gz UUADJIXSNGNULN-KXBFYZLASA-N 1 2 345.462 3.412 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@]1(C)CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001110809588 1368004725 /nfs/dbraw/zinc/00/47/25/1368004725.db2.gz RGIZZUXTPHPLIU-JLTOFOAXSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CCC(CC=C)C(=O)NCC1(C)CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110886496 1368059436 /nfs/dbraw/zinc/05/94/36/1368059436.db2.gz DEZQZXBMCCUWRU-UHFFFAOYSA-N 1 2 342.487 3.276 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(F)c1 ZINC001110897783 1368072122 /nfs/dbraw/zinc/07/21/22/1368072122.db2.gz XFFMHFITTIYPEA-XYPHTWIQSA-N 1 2 334.410 3.399 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(F)c1 ZINC001110897783 1368072126 /nfs/dbraw/zinc/07/21/26/1368072126.db2.gz XFFMHFITTIYPEA-XYPHTWIQSA-N 1 2 334.410 3.399 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(Cl)n1 ZINC001110925193 1368096561 /nfs/dbraw/zinc/09/65/61/1368096561.db2.gz NLLDXKPQNKFAEN-ZACQAIPSSA-N 1 2 345.874 3.150 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(Cl)n1 ZINC001110925193 1368096567 /nfs/dbraw/zinc/09/65/67/1368096567.db2.gz NLLDXKPQNKFAEN-ZACQAIPSSA-N 1 2 345.874 3.150 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001110932899 1368102917 /nfs/dbraw/zinc/10/29/17/1368102917.db2.gz BZENGHAULBKSLV-FPCVCCKLSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001110932899 1368102919 /nfs/dbraw/zinc/10/29/19/1368102919.db2.gz BZENGHAULBKSLV-FPCVCCKLSA-N 1 2 333.501 3.275 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001111073240 1368151894 /nfs/dbraw/zinc/15/18/94/1368151894.db2.gz AHMHFVOVAXHTFT-INMHGKMJSA-N 1 2 331.460 3.115 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001111073240 1368151900 /nfs/dbraw/zinc/15/19/00/1368151900.db2.gz AHMHFVOVAXHTFT-INMHGKMJSA-N 1 2 331.460 3.115 20 30 EGEDLO Cc1nc(NC[C@H]2CC[C@H](CNC(=O)C#CC(C)(C)C)CC2)cc[nH+]1 ZINC001111275923 1368242774 /nfs/dbraw/zinc/24/27/74/1368242774.db2.gz SVKOVHBSNILHHQ-QAQDUYKDSA-N 1 2 342.487 3.169 20 30 EGEDLO Cc1cc(NCC[C@@H]2CCN(C(=O)C#CC(C)C)C2)nc(C(C)C)[nH+]1 ZINC001111606385 1368368782 /nfs/dbraw/zinc/36/87/82/1368368782.db2.gz BBWGRDJBGGMZEL-QGZVFWFLSA-N 1 2 342.487 3.218 20 30 EGEDLO CCC[C@H](C)CC(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001195218222 1368403266 /nfs/dbraw/zinc/40/32/66/1368403266.db2.gz SDDDXXXCVXSJIC-KRWDZBQOSA-N 1 2 327.472 3.419 20 30 EGEDLO CCC[C@H](C)CC(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001195218222 1368403271 /nfs/dbraw/zinc/40/32/71/1368403271.db2.gz SDDDXXXCVXSJIC-KRWDZBQOSA-N 1 2 327.472 3.419 20 30 EGEDLO C#CCCCCC(=O)N1CCC[N@H+](Cc2nc3ccccc3o2)CC1 ZINC001195541638 1368451716 /nfs/dbraw/zinc/45/17/16/1368451716.db2.gz ZOSCLGXIYUESEN-UHFFFAOYSA-N 1 2 339.439 3.056 20 30 EGEDLO C#CCCCCC(=O)N1CCC[N@@H+](Cc2nc3ccccc3o2)CC1 ZINC001195541638 1368451719 /nfs/dbraw/zinc/45/17/19/1368451719.db2.gz ZOSCLGXIYUESEN-UHFFFAOYSA-N 1 2 339.439 3.056 20 30 EGEDLO CCCC[C@H](C)C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001195717966 1368477278 /nfs/dbraw/zinc/47/72/78/1368477278.db2.gz UJTGKYAWVINANK-KRWDZBQOSA-N 1 2 327.472 3.419 20 30 EGEDLO CCCC[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001195717966 1368477279 /nfs/dbraw/zinc/47/72/79/1368477279.db2.gz UJTGKYAWVINANK-KRWDZBQOSA-N 1 2 327.472 3.419 20 30 EGEDLO Cc1nc(C(C)C)oc1C[N@@H+]1CCCN(C(=O)C#CC(C)(C)C)CC1 ZINC001195785204 1368489408 /nfs/dbraw/zinc/48/94/08/1368489408.db2.gz GUIIEQMWWLDBEC-UHFFFAOYSA-N 1 2 345.487 3.190 20 30 EGEDLO Cc1nc(C(C)C)oc1C[N@H+]1CCCN(C(=O)C#CC(C)(C)C)CC1 ZINC001195785204 1368489410 /nfs/dbraw/zinc/48/94/10/1368489410.db2.gz GUIIEQMWWLDBEC-UHFFFAOYSA-N 1 2 345.487 3.190 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CCO[C@H](C)CC(C)C)CC1 ZINC001195807273 1368494970 /nfs/dbraw/zinc/49/49/70/1368494970.db2.gz SOUADAGQRVSBAX-MRXNPFEDSA-N 1 2 330.900 3.115 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CCO[C@H](C)CC(C)C)CC1 ZINC001195807273 1368494972 /nfs/dbraw/zinc/49/49/72/1368494972.db2.gz SOUADAGQRVSBAX-MRXNPFEDSA-N 1 2 330.900 3.115 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC[N@@H+](Cc2cncc(F)c2)CC1 ZINC001195949570 1368521467 /nfs/dbraw/zinc/52/14/67/1368521467.db2.gz ABGSEUIYTNMXCI-UHFFFAOYSA-N 1 2 331.435 3.023 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC[N@H+](Cc2cncc(F)c2)CC1 ZINC001195949570 1368521471 /nfs/dbraw/zinc/52/14/71/1368521471.db2.gz ABGSEUIYTNMXCI-UHFFFAOYSA-N 1 2 331.435 3.023 20 30 EGEDLO C#CCC1(C(=O)N2CCC[N@@H+](Cc3cc(F)ccc3F)CC2)CCC1 ZINC001196137396 1368556210 /nfs/dbraw/zinc/55/62/10/1368556210.db2.gz BDRUQTBMUYQTKH-UHFFFAOYSA-N 1 2 346.421 3.193 20 30 EGEDLO C#CCC1(C(=O)N2CCC[N@H+](Cc3cc(F)ccc3F)CC2)CCC1 ZINC001196137396 1368556212 /nfs/dbraw/zinc/55/62/12/1368556212.db2.gz BDRUQTBMUYQTKH-UHFFFAOYSA-N 1 2 346.421 3.193 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[N@@H+](Cc2ccncc2Cl)CC1 ZINC001196771919 1368680842 /nfs/dbraw/zinc/68/08/42/1368680842.db2.gz ZHMDMNWXRCIQBZ-UHFFFAOYSA-N 1 2 347.890 3.353 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[N@H+](Cc2ccncc2Cl)CC1 ZINC001196771919 1368680847 /nfs/dbraw/zinc/68/08/47/1368680847.db2.gz ZHMDMNWXRCIQBZ-UHFFFAOYSA-N 1 2 347.890 3.353 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccnc(Cl)c2)CC1 ZINC001196854399 1368699888 /nfs/dbraw/zinc/69/98/88/1368699888.db2.gz RCFUUPIIBAYJQY-HUUCEWRRSA-N 1 2 335.879 3.228 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccnc(Cl)c2)CC1 ZINC001196854399 1368699893 /nfs/dbraw/zinc/69/98/93/1368699893.db2.gz RCFUUPIIBAYJQY-HUUCEWRRSA-N 1 2 335.879 3.228 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001196853833 1368700042 /nfs/dbraw/zinc/70/00/42/1368700042.db2.gz MGCSMSRNETUDOH-MSOLQXFVSA-N 1 2 342.458 3.170 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001196853833 1368700044 /nfs/dbraw/zinc/70/00/44/1368700044.db2.gz MGCSMSRNETUDOH-MSOLQXFVSA-N 1 2 342.458 3.170 20 30 EGEDLO C=CCCC1(C(=O)N2CCC[N@@H+]([C@@H](C)c3cnc(C)cn3)CC2)CC1 ZINC001197061725 1368737971 /nfs/dbraw/zinc/73/79/71/1368737971.db2.gz FWMWCXMPXWGEIE-KRWDZBQOSA-N 1 2 342.487 3.127 20 30 EGEDLO C=CCCC1(C(=O)N2CCC[N@H+]([C@@H](C)c3cnc(C)cn3)CC2)CC1 ZINC001197061725 1368737973 /nfs/dbraw/zinc/73/79/73/1368737973.db2.gz FWMWCXMPXWGEIE-KRWDZBQOSA-N 1 2 342.487 3.127 20 30 EGEDLO Cc1cc(N[C@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC001112313281 1368760647 /nfs/dbraw/zinc/76/06/47/1368760647.db2.gz VBHVFUNKHIKVOG-ZBFHGGJFSA-N 1 2 342.487 3.217 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[N@@H+](Cc2cc(F)ccc2OC)CC1 ZINC001197278422 1368778708 /nfs/dbraw/zinc/77/87/08/1368778708.db2.gz SWNRBMDFARLTIM-UHFFFAOYSA-N 1 2 348.462 3.471 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[N@H+](Cc2cc(F)ccc2OC)CC1 ZINC001197278422 1368778712 /nfs/dbraw/zinc/77/87/12/1368778712.db2.gz SWNRBMDFARLTIM-UHFFFAOYSA-N 1 2 348.462 3.471 20 30 EGEDLO CC[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001197588493 1368847426 /nfs/dbraw/zinc/84/74/26/1368847426.db2.gz ZKFHMZWPWIAQQB-HOTGVXAUSA-N 1 2 345.462 3.414 20 30 EGEDLO CC[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001197588493 1368847430 /nfs/dbraw/zinc/84/74/30/1368847430.db2.gz ZKFHMZWPWIAQQB-HOTGVXAUSA-N 1 2 345.462 3.414 20 30 EGEDLO CC(C)C[C@H](C)C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001197597605 1368849771 /nfs/dbraw/zinc/84/97/71/1368849771.db2.gz QTNJLESKIRCMQV-SFHVURJKSA-N 1 2 344.474 3.394 20 30 EGEDLO CC(C)C[C@H](C)C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001197597605 1368849777 /nfs/dbraw/zinc/84/97/77/1368849777.db2.gz QTNJLESKIRCMQV-SFHVURJKSA-N 1 2 344.474 3.394 20 30 EGEDLO Cc1cc(N2CC[C@@H](NC(=O)C#CC(C)C)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC001112476104 1368874772 /nfs/dbraw/zinc/87/47/72/1368874772.db2.gz DZWYJTWKCGWEFD-IAGOWNOFSA-N 1 2 342.487 3.041 20 30 EGEDLO C=CCC(CC=C)C(=O)N(C)[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001112628604 1368958250 /nfs/dbraw/zinc/95/82/50/1368958250.db2.gz VOWNPTBWCLZXEV-GOSISDBHSA-N 1 2 342.487 3.371 20 30 EGEDLO C=CCO[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(Cl)s2)CC1 ZINC001198344671 1369013366 /nfs/dbraw/zinc/01/33/66/1369013366.db2.gz VTSUHFYGZFLIBE-CYBMUJFWSA-N 1 2 342.892 3.027 20 30 EGEDLO C=CCO[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)s2)CC1 ZINC001198344671 1369013371 /nfs/dbraw/zinc/01/33/71/1369013371.db2.gz VTSUHFYGZFLIBE-CYBMUJFWSA-N 1 2 342.892 3.027 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H](F)C(C)C)c1ccccc1OC ZINC001198843594 1369128473 /nfs/dbraw/zinc/12/84/73/1369128473.db2.gz UFFJJYSXNWCZBJ-ZBFHGGJFSA-N 1 2 342.842 3.189 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]([NH2+]CCF)c2ccccc2OC)CC1 ZINC001198885855 1369140031 /nfs/dbraw/zinc/14/00/31/1369140031.db2.gz URLTUDRTHMSSON-KRWDZBQOSA-N 1 2 334.435 3.158 20 30 EGEDLO CCCCCCCN1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001113071869 1369180630 /nfs/dbraw/zinc/18/06/30/1369180630.db2.gz ZKHIVKZGCTUQFY-UHFFFAOYSA-N 1 2 328.460 3.063 20 30 EGEDLO C#CCC1(C(=O)N[C@@H](C)[C@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001113181655 1369249275 /nfs/dbraw/zinc/24/92/75/1369249275.db2.gz ZVTSTCPDTFNFOT-GJZGRUSLSA-N 1 2 340.471 3.161 20 30 EGEDLO C#CCCCCCC(=O)N1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC001113204941 1369260473 /nfs/dbraw/zinc/26/04/73/1369260473.db2.gz DESPNLGQJIERQB-UHFFFAOYSA-N 1 2 342.483 3.232 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC001113229549 1369277423 /nfs/dbraw/zinc/27/74/23/1369277423.db2.gz LZTIHSZHOFIMRK-RDJZCZTQSA-N 1 2 330.472 3.106 20 30 EGEDLO C=CCCC1(C(=O)N2CC[NH+](CC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC001113312790 1369339591 /nfs/dbraw/zinc/33/95/91/1369339591.db2.gz OXJVTYWGSKKJEX-CQSZACIVSA-N 1 2 345.314 3.461 20 30 EGEDLO C=CCCC1(C(=O)N2CC[NH+](Cc3cccc(OC)c3C)CC2)CC1 ZINC001113312623 1369339636 /nfs/dbraw/zinc/33/96/36/1369339636.db2.gz FTJCLCYZAYGWKT-UHFFFAOYSA-N 1 2 342.483 3.394 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3cccc(OC)c3C)CC2)CCC1 ZINC001113313902 1369340613 /nfs/dbraw/zinc/34/06/13/1369340613.db2.gz BJLRJEIYHVLQFR-UHFFFAOYSA-N 1 2 342.483 3.394 20 30 EGEDLO CCCCCCCCCNC(=S)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001200369383 1369356197 /nfs/dbraw/zinc/35/61/97/1369356197.db2.gz VDQSRUVGDWSFRR-KRWDZBQOSA-N 1 2 341.565 3.018 20 30 EGEDLO Cc1cc(NC2CCC(N(C)C(=O)[C@@H](C)C#N)CC2)nc(C(C)C)[nH+]1 ZINC001113381602 1369381373 /nfs/dbraw/zinc/38/13/73/1369381373.db2.gz CQJGPEOCAZHQKK-JEYLPNPQSA-N 1 2 343.475 3.250 20 30 EGEDLO C#CCC1(C(=O)N(C)C2CCC(Nc3cc[nH+]c(C)n3)CC2)CCC1 ZINC001113388383 1369389266 /nfs/dbraw/zinc/38/92/66/1369389266.db2.gz STBFHRNAPAEFBC-UHFFFAOYSA-N 1 2 340.471 3.160 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC001113388610 1369389294 /nfs/dbraw/zinc/38/92/94/1369389294.db2.gz GIRSFMHRUKMXLY-UHFFFAOYSA-N 1 2 337.467 3.481 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[NH+](C[C@H](O)c2ccc(CC)cc2)CC1 ZINC001113388931 1369390238 /nfs/dbraw/zinc/39/02/38/1369390238.db2.gz ZJJHGWMHCXFAIG-IBGZPJMESA-N 1 2 344.499 3.029 20 30 EGEDLO C#CCCCC(=O)NC[C@H](C)N(C)c1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001113583186 1369502520 /nfs/dbraw/zinc/50/25/20/1369502520.db2.gz ZBYIJBKTPWELIC-INIZCTEOSA-N 1 2 344.503 3.468 20 30 EGEDLO COc1ccc(C#N)cc1Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC001201578034 1369581335 /nfs/dbraw/zinc/58/13/35/1369581335.db2.gz CSTWHXXXGWSRNM-OKILXGFUSA-N 1 2 338.411 3.319 20 30 EGEDLO CCCCCCC[N@@H+]1C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C(=O)OC ZINC001201787219 1369623671 /nfs/dbraw/zinc/62/36/71/1369623671.db2.gz AGDZOOZIQCGNCL-CABCVRRESA-N 1 2 342.480 3.097 20 30 EGEDLO CCCCCCC[N@H+]1C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C(=O)OC ZINC001201787219 1369623674 /nfs/dbraw/zinc/62/36/74/1369623674.db2.gz AGDZOOZIQCGNCL-CABCVRRESA-N 1 2 342.480 3.097 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@H](C)N(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001113822470 1369623792 /nfs/dbraw/zinc/62/37/92/1369623792.db2.gz QMNVWPRBRZOVOD-GJZGRUSLSA-N 1 2 344.503 3.207 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)CC[C@@H]1C ZINC001114046442 1369701185 /nfs/dbraw/zinc/70/11/85/1369701185.db2.gz PFDZVIHQCBAODM-SUMWQHHRSA-N 1 2 344.503 3.335 20 30 EGEDLO C=CCCC(=O)N1C[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001114673490 1370018490 /nfs/dbraw/zinc/01/84/90/1370018490.db2.gz BGIMVRZGESHTLP-CABCVRRESA-N 1 2 328.460 3.278 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(C(C)(C)C)n3)C[C@H]21 ZINC001114692205 1370028639 /nfs/dbraw/zinc/02/86/39/1370028639.db2.gz CPAQERFFSZQKDC-FICVDOATSA-N 1 2 347.528 3.199 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(C(C)(C)C)n3)C[C@H]21 ZINC001114692205 1370028641 /nfs/dbraw/zinc/02/86/41/1370028641.db2.gz CPAQERFFSZQKDC-FICVDOATSA-N 1 2 347.528 3.199 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1C[C@@H]([NH2+]CC(F)(F)C(F)F)C12CCC2 ZINC001203280950 1370059609 /nfs/dbraw/zinc/05/96/09/1370059609.db2.gz LXSUEJWYJWEHLT-OLZOCXBDSA-N 1 2 348.384 3.097 20 30 EGEDLO CC(C)c1cc(NC[C@H]2C[C@H](NC(=O)[C@H](C)C#N)C2)nc(C(C)C)[nH+]1 ZINC001114749269 1370060731 /nfs/dbraw/zinc/06/07/31/1370060731.db2.gz VHZYGQFKDTWZSY-RBSFLKMASA-N 1 2 343.475 3.190 20 30 EGEDLO C=C[C@@H](C(=O)N[C@H](C)CCCNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001114948289 1370171239 /nfs/dbraw/zinc/17/12/39/1370171239.db2.gz ANYVARBRWSZOJI-CRAIPNDOSA-N 1 2 338.455 3.452 20 30 EGEDLO N#Cc1cnn2c1[nH]c(=O)cc2Nc1ccc([NH+]2CCCCC2)cc1 ZINC001203717945 1370233546 /nfs/dbraw/zinc/23/35/46/1370233546.db2.gz OYGYUXGTAWYQGB-UHFFFAOYSA-N 1 2 334.383 3.040 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCc3onc(COc4ccccn4)c3C2)cc1 ZINC001203903286 1370307465 /nfs/dbraw/zinc/30/74/65/1370307465.db2.gz BPPVRXPILNFSNO-UHFFFAOYSA-N 1 2 346.390 3.079 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCc3onc(COc4ccccn4)c3C2)cc1 ZINC001203903286 1370307466 /nfs/dbraw/zinc/30/74/66/1370307466.db2.gz BPPVRXPILNFSNO-UHFFFAOYSA-N 1 2 346.390 3.079 20 30 EGEDLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)c(F)c(F)c2)CC[C@@H]1F ZINC001204523592 1370502996 /nfs/dbraw/zinc/50/29/96/1370502996.db2.gz CUMWSAZBSFSSHN-WCQYABFASA-N 1 2 345.258 3.331 20 30 EGEDLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)c(F)c(F)c2)CC[C@@H]1F ZINC001204523592 1370503000 /nfs/dbraw/zinc/50/30/00/1370503000.db2.gz CUMWSAZBSFSSHN-WCQYABFASA-N 1 2 345.258 3.331 20 30 EGEDLO C=C[C@@H](CC(=O)N(C)C[C@H](C)Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC001115744223 1370724971 /nfs/dbraw/zinc/72/49/71/1370724971.db2.gz ANIWCWDWDKTWSZ-RDJZCZTQSA-N 1 2 338.455 3.404 20 30 EGEDLO C#CCOc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)cc1 ZINC001116038154 1370825278 /nfs/dbraw/zinc/82/52/78/1370825278.db2.gz XVZAURKGQNVVGT-HXUWFJFHSA-N 1 2 349.434 3.087 20 30 EGEDLO C#CCOc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)cc1 ZINC001116038154 1370825285 /nfs/dbraw/zinc/82/52/85/1370825285.db2.gz XVZAURKGQNVVGT-HXUWFJFHSA-N 1 2 349.434 3.087 20 30 EGEDLO Cc1ccc(F)c(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC001205655477 1370831558 /nfs/dbraw/zinc/83/15/58/1370831558.db2.gz PJRCUBUOKOFLTA-UHFFFAOYSA-N 1 2 327.378 3.467 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001207108022 1371295506 /nfs/dbraw/zinc/29/55/06/1371295506.db2.gz URIOFOXJFVPMRS-RDTXWAMCSA-N 1 2 343.471 3.257 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001207108022 1371295514 /nfs/dbraw/zinc/29/55/14/1371295514.db2.gz URIOFOXJFVPMRS-RDTXWAMCSA-N 1 2 343.471 3.257 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001207107324 1371295968 /nfs/dbraw/zinc/29/59/68/1371295968.db2.gz GDPUJWPCNSSBAN-VQIMIIECSA-N 1 2 344.503 3.169 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001207107324 1371295972 /nfs/dbraw/zinc/29/59/72/1371295972.db2.gz GDPUJWPCNSSBAN-VQIMIIECSA-N 1 2 344.503 3.169 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C)s2)C[C@H]1C ZINC001207107275 1371296038 /nfs/dbraw/zinc/29/60/38/1371296038.db2.gz DCYJTUSCQWLNEN-CZUORRHYSA-N 1 2 333.501 3.156 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](Cc2ncc(C)s2)C[C@H]1C ZINC001207107275 1371296043 /nfs/dbraw/zinc/29/60/43/1371296043.db2.gz DCYJTUSCQWLNEN-CZUORRHYSA-N 1 2 333.501 3.156 20 30 EGEDLO CC(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001207138950 1371307323 /nfs/dbraw/zinc/30/73/23/1371307323.db2.gz WYMSPLWNYPAQHJ-RDTXWAMCSA-N 1 2 345.462 3.316 20 30 EGEDLO CC(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001207138950 1371307327 /nfs/dbraw/zinc/30/73/27/1371307327.db2.gz WYMSPLWNYPAQHJ-RDTXWAMCSA-N 1 2 345.462 3.316 20 30 EGEDLO CC[C@H](CO)Nc1cc(N[C@H]2CCCc3cc(C#N)ccc32)nc[nH+]1 ZINC001119968521 1371435785 /nfs/dbraw/zinc/43/57/85/1371435785.db2.gz ZKDKHVCGUZOMDN-WBVHZDCISA-N 1 2 337.427 3.021 20 30 EGEDLO CC[C@H](CO)Nc1cc(N[C@H]2CCCc3cc(C#N)ccc32)[nH+]cn1 ZINC001119968521 1371435789 /nfs/dbraw/zinc/43/57/89/1371435789.db2.gz ZKDKHVCGUZOMDN-WBVHZDCISA-N 1 2 337.427 3.021 20 30 EGEDLO CC#CCCCC(=O)N(C)C[C@@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001120477226 1371589446 /nfs/dbraw/zinc/58/94/46/1371589446.db2.gz PYVIQTSUSPYARS-MRXNPFEDSA-N 1 2 330.476 3.361 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2nc(CC)no2)C1 ZINC001208180520 1371622603 /nfs/dbraw/zinc/62/26/03/1371622603.db2.gz QYOAOPJRNBGPQG-GOEBONIOSA-N 1 2 346.475 3.042 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2nc(CCC(C)C)no2)C1 ZINC001208260809 1371689438 /nfs/dbraw/zinc/68/94/38/1371689438.db2.gz FZGJXCOVDAEBHC-MRXNPFEDSA-N 1 2 348.491 3.095 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ncc(C(C)C)o2)C[C@H]1C ZINC001208396404 1371752608 /nfs/dbraw/zinc/75/26/08/1371752608.db2.gz UWAUGBDFJNCMFS-OWCLPIDISA-N 1 2 333.476 3.337 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C(C)C)o2)C[C@H]1C ZINC001208396404 1371752612 /nfs/dbraw/zinc/75/26/12/1371752612.db2.gz UWAUGBDFJNCMFS-OWCLPIDISA-N 1 2 333.476 3.337 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001208963175 1371964223 /nfs/dbraw/zinc/96/42/23/1371964223.db2.gz GXDBNRYIMJIIFQ-UKRRQHHQSA-N 1 2 331.460 3.091 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001208963175 1371964226 /nfs/dbraw/zinc/96/42/26/1371964226.db2.gz GXDBNRYIMJIIFQ-UKRRQHHQSA-N 1 2 331.460 3.091 20 30 EGEDLO C=CC(C)(C)C(=O)NC1CC2(C1)CC([NH2+]CC(F)(F)C(F)F)C2 ZINC001121534586 1372002271 /nfs/dbraw/zinc/00/22/71/1372002271.db2.gz NVCPBVNLGDUYBG-UHFFFAOYSA-N 1 2 336.373 3.116 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@H]([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC001209194286 1372034231 /nfs/dbraw/zinc/03/42/31/1372034231.db2.gz MYRULUYKFOKNQA-GJZGRUSLSA-N 1 2 348.491 3.050 20 30 EGEDLO CC(C)(C)OC(=O)NCCCCC[N@H+](CCC#N)Cc1cccnc1 ZINC001209369791 1372080098 /nfs/dbraw/zinc/08/00/98/1372080098.db2.gz VMMBLVWTWLKSCI-UHFFFAOYSA-N 1 2 346.475 3.492 20 30 EGEDLO CC(C)(C)OC(=O)NCCCCC[N@@H+](CCC#N)Cc1cccnc1 ZINC001209369791 1372080100 /nfs/dbraw/zinc/08/01/00/1372080100.db2.gz VMMBLVWTWLKSCI-UHFFFAOYSA-N 1 2 346.475 3.492 20 30 EGEDLO N#Cc1ncc(Cl)cc1Nc1ccccc1C[NH+]1CCOCC1 ZINC001209926898 1372232275 /nfs/dbraw/zinc/23/22/75/1372232275.db2.gz GDUQJBAYOQDXCZ-UHFFFAOYSA-N 1 2 328.803 3.182 20 30 EGEDLO CC(C)(C)n1ncc(C#N)c1Nc1ccccc1C[NH+]1CCOCC1 ZINC001209924856 1372232294 /nfs/dbraw/zinc/23/22/94/1372232294.db2.gz HRAVIYZVUWWCJF-UHFFFAOYSA-N 1 2 339.443 3.086 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)C[C@H]1CC=CCC1 ZINC001122440738 1372248445 /nfs/dbraw/zinc/24/84/45/1372248445.db2.gz JWWQDJRIXZDOCP-IRXDYDNUSA-N 1 2 329.492 3.413 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)C[C@H]1CC=CCC1 ZINC001122440738 1372248450 /nfs/dbraw/zinc/24/84/50/1372248450.db2.gz JWWQDJRIXZDOCP-IRXDYDNUSA-N 1 2 329.492 3.413 20 30 EGEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(CC)CCC ZINC001122540660 1372269577 /nfs/dbraw/zinc/26/95/77/1372269577.db2.gz YJSMWYXSXZYIAZ-SJORKVTESA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(CC)CCC ZINC001122540660 1372269579 /nfs/dbraw/zinc/26/95/79/1372269579.db2.gz YJSMWYXSXZYIAZ-SJORKVTESA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(CC)CCC ZINC001122540655 1372270078 /nfs/dbraw/zinc/27/00/78/1372270078.db2.gz YJSMWYXSXZYIAZ-DLBZAZTESA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(CC)CCC ZINC001122540655 1372270083 /nfs/dbraw/zinc/27/00/83/1372270083.db2.gz YJSMWYXSXZYIAZ-DLBZAZTESA-N 1 2 347.507 3.016 20 30 EGEDLO N#C[C@H]1C[NH2+]CCN1Cc1ccccc1Oc1cccc(Cl)c1 ZINC001210123008 1372276252 /nfs/dbraw/zinc/27/62/52/1372276252.db2.gz XPEBSBNDHHEPNW-INIZCTEOSA-N 1 2 327.815 3.430 20 30 EGEDLO C=CCCCC(=O)N1C[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C[C@H]1C ZINC001123308897 1372420623 /nfs/dbraw/zinc/42/06/23/1372420623.db2.gz HRLMHVFUGJYJLM-ZBFHGGJFSA-N 1 2 342.487 3.421 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@@H]2CCC[C@H](Nc3cc[nH+]c(C)n3)[C@H]2C1 ZINC001123485981 1372486196 /nfs/dbraw/zinc/48/61/96/1372486196.db2.gz DMBVWEWORDPUNO-ULQDDVLXSA-N 1 2 342.487 3.426 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CC[C@@H](CNc3cc[nH+]c(C)n3)C2)CC1 ZINC001123867270 1372612181 /nfs/dbraw/zinc/61/21/81/1372612181.db2.gz OUYYTAXJXUVBCI-CVEARBPZSA-N 1 2 328.460 3.228 20 30 EGEDLO N#Cc1cc(F)c(Nc2ccc[nH+]c2N2CCOCC2)c(Cl)c1 ZINC001212364891 1372695533 /nfs/dbraw/zinc/69/55/33/1372695533.db2.gz YEADWTAXQSTQSJ-UHFFFAOYSA-N 1 2 332.766 3.326 20 30 EGEDLO N#Cc1cc(Nc2ccc(C[NH+]3CC(O)C3)cc2)cc(C(F)(F)F)c1 ZINC001212670369 1372749079 /nfs/dbraw/zinc/74/90/79/1372749079.db2.gz UPYSLJLHCNIVHE-UHFFFAOYSA-N 1 2 347.340 3.497 20 30 EGEDLO N#Cc1ccc(Nc2ccc(C[NH+]3CC(O)C3)cc2)c2cccnc12 ZINC001212673049 1372750426 /nfs/dbraw/zinc/75/04/26/1372750426.db2.gz CWVHSAIYDAAJHB-UHFFFAOYSA-N 1 2 330.391 3.027 20 30 EGEDLO Cc1cc(NC[C@H](NC(=O)C#CC2CC2)C(C)(C)C)nc(C(C)C)[nH+]1 ZINC001125905001 1372886628 /nfs/dbraw/zinc/88/66/28/1372886628.db2.gz ZLESBTDBCIEDRT-INIZCTEOSA-N 1 2 342.487 3.265 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H](C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001126762466 1373016428 /nfs/dbraw/zinc/01/64/28/1373016428.db2.gz FKJFSKOEELMVQD-CABCVRRESA-N 1 2 330.476 3.108 20 30 EGEDLO CCN(C(=O)C#CC(C)(C)C)[C@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001126812815 1373032273 /nfs/dbraw/zinc/03/22/73/1373032273.db2.gz RTGITRAUCDTCNK-KRWDZBQOSA-N 1 2 342.487 3.042 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2nc(C3CC3)no2)C1 ZINC001214732280 1373112003 /nfs/dbraw/zinc/11/20/03/1373112003.db2.gz SUXGFQGDUXWTIB-VNHYZAJKSA-N 1 2 346.475 3.047 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001127736696 1373170856 /nfs/dbraw/zinc/17/08/56/1373170856.db2.gz RBPKVXHPIBCPOT-CQSZACIVSA-N 1 2 342.487 3.257 20 30 EGEDLO C=C(C)CCC(=O)NCc1cnn2c1C[N@H+](CC/C=C/CCC)CC2 ZINC001128372077 1373258512 /nfs/dbraw/zinc/25/85/12/1373258512.db2.gz JQMIFVGNIICXJE-VOTSOKGWSA-N 1 2 344.503 3.418 20 30 EGEDLO C=C(C)CCC(=O)NCc1cnn2c1C[N@@H+](CC/C=C/CCC)CC2 ZINC001128372077 1373258517 /nfs/dbraw/zinc/25/85/17/1373258517.db2.gz JQMIFVGNIICXJE-VOTSOKGWSA-N 1 2 344.503 3.418 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCc1cnn2c1C[N@H+](CCCCCC)CC2 ZINC001128448677 1373269495 /nfs/dbraw/zinc/26/94/95/1373269495.db2.gz UUFMSMVHSVHAGR-DLBZAZTESA-N 1 2 346.519 3.353 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCc1cnn2c1C[N@@H+](CCCCCC)CC2 ZINC001128448677 1373269500 /nfs/dbraw/zinc/26/95/00/1373269500.db2.gz UUFMSMVHSVHAGR-DLBZAZTESA-N 1 2 346.519 3.353 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C(C)(C)CC(C)(C)C)c2C1 ZINC001128587371 1373294944 /nfs/dbraw/zinc/29/49/44/1373294944.db2.gz XUMMUYRWMUVIJS-UHFFFAOYSA-N 1 2 346.519 3.353 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C(C)(C)CC(C)(C)C)c2C1 ZINC001128587371 1373294946 /nfs/dbraw/zinc/29/49/46/1373294946.db2.gz XUMMUYRWMUVIJS-UHFFFAOYSA-N 1 2 346.519 3.353 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)CCC2CC2)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC001131921847 1375047277 /nfs/dbraw/zinc/04/72/77/1375047277.db2.gz DNIDOUSEZNPVOD-IFXJQAMLSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)CCC2CC2)C[N@H+]1Cc1cc(F)ccc1C#N ZINC001131921847 1375047281 /nfs/dbraw/zinc/04/72/81/1375047281.db2.gz DNIDOUSEZNPVOD-IFXJQAMLSA-N 1 2 343.446 3.357 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001131960462 1375072282 /nfs/dbraw/zinc/07/22/82/1375072282.db2.gz MYPMPOHWGFHIET-BBRMVZONSA-N 1 2 347.409 3.430 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001131960462 1375072290 /nfs/dbraw/zinc/07/22/90/1375072290.db2.gz MYPMPOHWGFHIET-BBRMVZONSA-N 1 2 347.409 3.430 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001132002621 1375093518 /nfs/dbraw/zinc/09/35/18/1375093518.db2.gz LLXDTUMTLCIWFC-ZBFHGGJFSA-N 1 2 333.863 3.008 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001132002621 1375093523 /nfs/dbraw/zinc/09/35/23/1375093523.db2.gz LLXDTUMTLCIWFC-ZBFHGGJFSA-N 1 2 333.863 3.008 20 30 EGEDLO Cc1nc(C[N@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@H]2C)c(C)s1 ZINC001132033455 1375108596 /nfs/dbraw/zinc/10/85/96/1375108596.db2.gz GPCBUIWMAAFECB-CJNGLKHVSA-N 1 2 347.528 3.279 20 30 EGEDLO Cc1nc(C[N@@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@H]2C)c(C)s1 ZINC001132033455 1375108599 /nfs/dbraw/zinc/10/85/99/1375108599.db2.gz GPCBUIWMAAFECB-CJNGLKHVSA-N 1 2 347.528 3.279 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1c(F)cccc1F ZINC001132035193 1375109338 /nfs/dbraw/zinc/10/93/38/1375109338.db2.gz YPTSSALKXGGYRF-LSDHHAIUSA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1c(F)cccc1F ZINC001132035193 1375109340 /nfs/dbraw/zinc/10/93/40/1375109340.db2.gz YPTSSALKXGGYRF-LSDHHAIUSA-N 1 2 348.437 3.483 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2snnc2C)C1 ZINC001132057250 1375123565 /nfs/dbraw/zinc/12/35/65/1375123565.db2.gz LZPOGKCQCHBPKW-CJNGLKHVSA-N 1 2 348.516 3.084 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2snnc2C)C1 ZINC001132057250 1375123568 /nfs/dbraw/zinc/12/35/68/1375123568.db2.gz LZPOGKCQCHBPKW-CJNGLKHVSA-N 1 2 348.516 3.084 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2coc(C)n2)C1 ZINC001132057639 1375123831 /nfs/dbraw/zinc/12/38/31/1375123831.db2.gz RZDUUDMYZBPJSI-WMLDXEAASA-N 1 2 331.460 3.221 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2coc(C)n2)C1 ZINC001132057639 1375123833 /nfs/dbraw/zinc/12/38/33/1375123833.db2.gz RZDUUDMYZBPJSI-WMLDXEAASA-N 1 2 331.460 3.221 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2coc(C)n2)C1 ZINC001132057638 1375124625 /nfs/dbraw/zinc/12/46/25/1375124625.db2.gz RZDUUDMYZBPJSI-RHSMWYFYSA-N 1 2 331.460 3.221 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2coc(C)n2)C1 ZINC001132057638 1375124630 /nfs/dbraw/zinc/12/46/30/1375124630.db2.gz RZDUUDMYZBPJSI-RHSMWYFYSA-N 1 2 331.460 3.221 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCc2ncc(C)o2)CC[C@H]1C ZINC001132087289 1375138938 /nfs/dbraw/zinc/13/89/38/1375138938.db2.gz NXCPAJBRSGNMLQ-HIFRSBDPSA-N 1 2 339.867 3.027 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCc2ncc(C)o2)CC[C@H]1C ZINC001132087289 1375138943 /nfs/dbraw/zinc/13/89/43/1375138943.db2.gz NXCPAJBRSGNMLQ-HIFRSBDPSA-N 1 2 339.867 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC2(C(F)(F)F)CC2)CC[C@H]1C ZINC001132094759 1375142880 /nfs/dbraw/zinc/14/28/80/1375142880.db2.gz PEUWKQAPDIQZQT-NEPJUHHUSA-N 1 2 338.801 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC2(C(F)(F)F)CC2)CC[C@H]1C ZINC001132094759 1375142883 /nfs/dbraw/zinc/14/28/83/1375142883.db2.gz PEUWKQAPDIQZQT-NEPJUHHUSA-N 1 2 338.801 3.441 20 30 EGEDLO N#Cc1cc(Cl)cc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001225697475 1375146549 /nfs/dbraw/zinc/14/65/49/1375146549.db2.gz ILIUUTFGYUYURM-IBGZPJMESA-N 1 2 342.826 3.491 20 30 EGEDLO N#Cc1cc(Cl)cc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001225697475 1375146551 /nfs/dbraw/zinc/14/65/51/1375146551.db2.gz ILIUUTFGYUYURM-IBGZPJMESA-N 1 2 342.826 3.491 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCc2ccsc2)CC[C@H]1C ZINC001132115221 1375155124 /nfs/dbraw/zinc/15/51/24/1375155124.db2.gz ISKSJQGOZGPNQX-HIFRSBDPSA-N 1 2 326.893 3.402 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCc2ccsc2)CC[C@H]1C ZINC001132115221 1375155121 /nfs/dbraw/zinc/15/51/21/1375155121.db2.gz ISKSJQGOZGPNQX-HIFRSBDPSA-N 1 2 326.893 3.402 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)CCCC#CC)CC[C@@H]1C ZINC001132235503 1375230658 /nfs/dbraw/zinc/23/06/58/1375230658.db2.gz ONGNAAURYZYNKT-LSDHHAIUSA-N 1 2 341.293 3.058 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)CCCC#CC)CC[C@@H]1C ZINC001132235503 1375230663 /nfs/dbraw/zinc/23/06/63/1375230663.db2.gz ONGNAAURYZYNKT-LSDHHAIUSA-N 1 2 341.293 3.058 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001132235835 1375231057 /nfs/dbraw/zinc/23/10/57/1375231057.db2.gz UPILLZYFRRVWJX-WBVHZDCISA-N 1 2 347.890 3.398 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001132235835 1375231063 /nfs/dbraw/zinc/23/10/63/1375231063.db2.gz UPILLZYFRRVWJX-WBVHZDCISA-N 1 2 347.890 3.398 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3snnc3C)C2)CCC1 ZINC001132282778 1375265003 /nfs/dbraw/zinc/26/50/03/1375265003.db2.gz MVZXXTDBNQBIPM-HIFRSBDPSA-N 1 2 348.516 3.062 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3snnc3C)C2)CCC1 ZINC001132282778 1375265005 /nfs/dbraw/zinc/26/50/05/1375265005.db2.gz MVZXXTDBNQBIPM-HIFRSBDPSA-N 1 2 348.516 3.062 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3cncc(F)c3)C2)CCC1 ZINC001132282931 1375265587 /nfs/dbraw/zinc/26/55/87/1375265587.db2.gz OUVAYYNHVDJQEG-YJBOKZPZSA-N 1 2 345.462 3.436 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3cncc(F)c3)C2)CCC1 ZINC001132282931 1375265593 /nfs/dbraw/zinc/26/55/93/1375265593.db2.gz OUVAYYNHVDJQEG-YJBOKZPZSA-N 1 2 345.462 3.436 20 30 EGEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccc(Br)c3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226872823 1375350148 /nfs/dbraw/zinc/35/01/48/1375350148.db2.gz HTLPSWNBYFBDGS-LEGMNPEXSA-N 1 2 344.636 3.094 20 30 EGEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc(Br)c3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226872823 1375350150 /nfs/dbraw/zinc/35/01/50/1375350150.db2.gz HTLPSWNBYFBDGS-LEGMNPEXSA-N 1 2 344.636 3.094 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C(C)(C)C(F)(F)F)CC[C@@H]1C ZINC001132446485 1375392091 /nfs/dbraw/zinc/39/20/91/1375392091.db2.gz YYFKCKLZWKOOMS-QWRGUYRKSA-N 1 2 326.790 3.297 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(F)(F)F)CC[C@@H]1C ZINC001132446485 1375392095 /nfs/dbraw/zinc/39/20/95/1375392095.db2.gz YYFKCKLZWKOOMS-QWRGUYRKSA-N 1 2 326.790 3.297 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)COc2cccc(C)c2)CC[C@@H]1C ZINC001132486044 1375420190 /nfs/dbraw/zinc/42/01/90/1375420190.db2.gz LAOSNQZXDRMFGL-JKSUJKDBSA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)COc2cccc(C)c2)CC[C@@H]1C ZINC001132486044 1375420192 /nfs/dbraw/zinc/42/01/92/1375420192.db2.gz LAOSNQZXDRMFGL-JKSUJKDBSA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CN(CC)c2ccccc2)CC[C@@H]1C ZINC001132508321 1375430687 /nfs/dbraw/zinc/43/06/87/1375430687.db2.gz HORQNVGEHZNZHS-IRXDYDNUSA-N 1 2 349.906 3.235 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CN(CC)c2ccccc2)CC[C@@H]1C ZINC001132508321 1375430690 /nfs/dbraw/zinc/43/06/90/1375430690.db2.gz HORQNVGEHZNZHS-IRXDYDNUSA-N 1 2 349.906 3.235 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC1CC[NH+]([C@@H](C)c2nnc(C)s2)CC1 ZINC001228809969 1375682943 /nfs/dbraw/zinc/68/29/43/1375682943.db2.gz NZCYNPNGVVLTST-JSGCOSHPSA-N 1 2 336.505 3.090 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC1CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC001228810573 1375685116 /nfs/dbraw/zinc/68/51/16/1375685116.db2.gz XEGVOQWBSFPTAI-HNNXBMFYSA-N 1 2 345.487 3.236 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C(C)C)o3)C[C@H]21 ZINC001188884231 1388398952 /nfs/dbraw/zinc/39/89/52/1388398952.db2.gz DHGRYZLRGNOYGF-YESZJQIVSA-N 1 2 345.487 3.433 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C(C)C)o3)C[C@H]21 ZINC001188884231 1388398957 /nfs/dbraw/zinc/39/89/57/1388398957.db2.gz DHGRYZLRGNOYGF-YESZJQIVSA-N 1 2 345.487 3.433 20 30 EGEDLO C[C@@H](C[NH+]1CCOCC1)Oc1ccccc1/C=N/c1ccccc1O ZINC001229932270 1375920735 /nfs/dbraw/zinc/92/07/35/1375920735.db2.gz BKOUNBDJQUVGKZ-YIRPMMGJSA-N 1 2 340.423 3.242 20 30 EGEDLO C=C1CCC(C(=O)NCC[NH2+][C@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC001133373746 1375954197 /nfs/dbraw/zinc/95/41/97/1375954197.db2.gz IAZOMXVUSSZQDZ-CQSZACIVSA-N 1 2 333.476 3.485 20 30 EGEDLO CC(C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC001230653928 1376117513 /nfs/dbraw/zinc/11/75/13/1376117513.db2.gz JFAABEVBPXJENX-SFHVURJKSA-N 1 2 332.875 3.270 20 30 EGEDLO CC(C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001230653928 1376117519 /nfs/dbraw/zinc/11/75/19/1376117519.db2.gz JFAABEVBPXJENX-SFHVURJKSA-N 1 2 332.875 3.270 20 30 EGEDLO N#Cc1cccnc1N1CCC(Oc2ccc(-c3[nH]cc[nH+]3)cc2)CC1 ZINC001231083763 1376200346 /nfs/dbraw/zinc/20/03/46/1376200346.db2.gz HHJWGGVYJNCTTD-UHFFFAOYSA-N 1 2 345.406 3.391 20 30 EGEDLO C#CC[NH+](CC#C)Cc1cc(Cl)c(OC)c(Br)c1 ZINC001231730009 1376306064 /nfs/dbraw/zinc/30/60/64/1376306064.db2.gz QDMFMARXAWRQMW-UHFFFAOYSA-N 1 2 326.621 3.180 20 30 EGEDLO N#Cc1cccc(N2CC[NH+](Cc3ccc(Cl)c(O)c3)CC2)c1 ZINC001231735598 1376309712 /nfs/dbraw/zinc/30/97/12/1376309712.db2.gz QVORDAIHTANGHK-UHFFFAOYSA-N 1 2 327.815 3.239 20 30 EGEDLO C#C[C@H]1CCC[N@@H+](Cc2ccc(I)c(F)c2)C1 ZINC001232492073 1376467209 /nfs/dbraw/zinc/46/72/09/1376467209.db2.gz LDLWWOFTMQMXQK-NSHDSACASA-N 1 2 343.183 3.276 20 30 EGEDLO C#C[C@H]1CCC[N@H+](Cc2ccc(I)c(F)c2)C1 ZINC001232492073 1376467210 /nfs/dbraw/zinc/46/72/10/1376467210.db2.gz LDLWWOFTMQMXQK-NSHDSACASA-N 1 2 343.183 3.276 20 30 EGEDLO N#Cc1ccc(O)c(C[NH+]2CCC(n3ncc4ccccc43)CC2)c1 ZINC001232678862 1376499976 /nfs/dbraw/zinc/49/99/76/1376499976.db2.gz RSYFGHYODWZHAJ-UHFFFAOYSA-N 1 2 332.407 3.451 20 30 EGEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@H](Sc3ccncc3)C2)c1 ZINC001232680242 1376500315 /nfs/dbraw/zinc/50/03/15/1376500315.db2.gz ZXRBWSMXYCWZPP-KRWDZBQOSA-N 1 2 325.437 3.416 20 30 EGEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@H](Sc3ccncc3)C2)c1 ZINC001232680242 1376500317 /nfs/dbraw/zinc/50/03/17/1376500317.db2.gz ZXRBWSMXYCWZPP-KRWDZBQOSA-N 1 2 325.437 3.416 20 30 EGEDLO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1)C1CC1 ZINC001233530501 1376661895 /nfs/dbraw/zinc/66/18/95/1376661895.db2.gz UPPOXUBEJWPRCA-BEFAXECRSA-N 1 2 344.886 3.270 20 30 EGEDLO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1)C1CC1 ZINC001233530501 1376661898 /nfs/dbraw/zinc/66/18/98/1376661898.db2.gz UPPOXUBEJWPRCA-BEFAXECRSA-N 1 2 344.886 3.270 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1)C(=O)C=C1CCC1 ZINC001233634526 1376689610 /nfs/dbraw/zinc/68/96/10/1376689610.db2.gz MNLRBXNLHJCVIR-IBGZPJMESA-N 1 2 342.870 3.335 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1)C(=O)C=C1CCC1 ZINC001233634526 1376689618 /nfs/dbraw/zinc/68/96/18/1376689618.db2.gz MNLRBXNLHJCVIR-IBGZPJMESA-N 1 2 342.870 3.335 20 30 EGEDLO N#Cc1cccc(-c2ccc(OC3C[NH+](Cc4ccccc4)C3)nn2)c1 ZINC001233945127 1376741368 /nfs/dbraw/zinc/74/13/68/1376741368.db2.gz GXGOKJJKENKABQ-UHFFFAOYSA-N 1 2 342.402 3.278 20 30 EGEDLO COc1ccc(Cl)c(C[N@@H+]2CC[C@H]2CN(C)C(=O)C#CC(C)C)c1 ZINC001234162769 1376782091 /nfs/dbraw/zinc/78/20/91/1376782091.db2.gz VAADBRBSEHOJGJ-INIZCTEOSA-N 1 2 348.874 3.041 20 30 EGEDLO COc1ccc(Cl)c(C[N@H+]2CC[C@H]2CN(C)C(=O)C#CC(C)C)c1 ZINC001234162769 1376782095 /nfs/dbraw/zinc/78/20/95/1376782095.db2.gz VAADBRBSEHOJGJ-INIZCTEOSA-N 1 2 348.874 3.041 20 30 EGEDLO CCOc1c(Cl)cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cc1Cl ZINC001234221030 1376791100 /nfs/dbraw/zinc/79/11/00/1376791100.db2.gz DZUMGKTZNQHSRH-KIMJBNCKSA-N 1 2 344.238 3.383 20 30 EGEDLO CCOc1c(Cl)cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cc1Cl ZINC001234221030 1376791107 /nfs/dbraw/zinc/79/11/07/1376791107.db2.gz DZUMGKTZNQHSRH-KIMJBNCKSA-N 1 2 344.238 3.383 20 30 EGEDLO N#Cc1ccc(Br)c(C[N@H+]2CCc3ccc(N)cc3C2)c1 ZINC001236231001 1376942257 /nfs/dbraw/zinc/94/22/57/1376942257.db2.gz HDYYGQBKZGQELA-UHFFFAOYSA-N 1 2 342.240 3.461 20 30 EGEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCc3ccc(N)cc3C2)c1 ZINC001236231001 1376942264 /nfs/dbraw/zinc/94/22/64/1376942264.db2.gz HDYYGQBKZGQELA-UHFFFAOYSA-N 1 2 342.240 3.461 20 30 EGEDLO COC(=O)CC[N@H+](Cc1ccco1)Cc1ccc(C#N)cc1Cl ZINC001238085700 1376994257 /nfs/dbraw/zinc/99/42/57/1376994257.db2.gz JSJMLKXJSPDHHR-UHFFFAOYSA-N 1 2 332.787 3.370 20 30 EGEDLO COC(=O)CC[N@@H+](Cc1ccco1)Cc1ccc(C#N)cc1Cl ZINC001238085700 1376994263 /nfs/dbraw/zinc/99/42/63/1376994263.db2.gz JSJMLKXJSPDHHR-UHFFFAOYSA-N 1 2 332.787 3.370 20 30 EGEDLO C[Si](C)(C)C#Cc1ccc(C(=O)NCCOc2cc[nH+]cc2)cc1 ZINC001189183254 1388477057 /nfs/dbraw/zinc/47/70/57/1388477057.db2.gz DKNACPBESFFGSM-UHFFFAOYSA-N 1 2 338.483 3.119 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(F)cc(F)c1F)C2 ZINC001137871031 1377634331 /nfs/dbraw/zinc/63/43/31/1377634331.db2.gz LNBWUKXBEUXLGD-MAUKXSAKSA-N 1 2 341.373 3.430 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(F)cc(F)c1F)C2 ZINC001137871031 1377634334 /nfs/dbraw/zinc/63/43/34/1377634334.db2.gz LNBWUKXBEUXLGD-MAUKXSAKSA-N 1 2 341.373 3.430 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1cccc(OCC)c1 ZINC001138099497 1377676713 /nfs/dbraw/zinc/67/67/13/1377676713.db2.gz XRIZGNVLKFUVRA-LJQANCHMSA-N 1 2 341.455 3.121 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1cccc(OCC)c1 ZINC001138099497 1377676714 /nfs/dbraw/zinc/67/67/14/1377676714.db2.gz XRIZGNVLKFUVRA-LJQANCHMSA-N 1 2 341.455 3.121 20 30 EGEDLO C#CC[NH+]1CCN(Cc2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC001138251585 1377693727 /nfs/dbraw/zinc/69/37/27/1377693727.db2.gz ROWJFKCDKBBEAM-UHFFFAOYSA-N 1 2 338.426 3.156 20 30 EGEDLO C(#Cc1ccc(C[N@@H+]2CCc3ncncc3C2)cc1)c1ccccc1 ZINC001138336065 1377704725 /nfs/dbraw/zinc/70/47/25/1377704725.db2.gz JIBFZXZLFYRGEF-UHFFFAOYSA-N 1 2 325.415 3.435 20 30 EGEDLO C(#Cc1ccc(C[N@H+]2CCc3ncncc3C2)cc1)c1ccccc1 ZINC001138336065 1377704727 /nfs/dbraw/zinc/70/47/27/1377704727.db2.gz JIBFZXZLFYRGEF-UHFFFAOYSA-N 1 2 325.415 3.435 20 30 EGEDLO C#CCOc1ccc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)cc1OC ZINC001138341297 1377706212 /nfs/dbraw/zinc/70/62/12/1377706212.db2.gz MNUDSEOWULSZKX-DLBZAZTESA-N 1 2 327.424 3.041 20 30 EGEDLO C#CCOc1ccc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@H]32)cc1OC ZINC001138341297 1377706215 /nfs/dbraw/zinc/70/62/15/1377706215.db2.gz MNUDSEOWULSZKX-DLBZAZTESA-N 1 2 327.424 3.041 20 30 EGEDLO C#CCOc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1 ZINC001138559705 1377742067 /nfs/dbraw/zinc/74/20/67/1377742067.db2.gz QGUZQRQHKPMHOC-INIZCTEOSA-N 1 2 344.455 3.140 20 30 EGEDLO C#CCOc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1 ZINC001138559705 1377742068 /nfs/dbraw/zinc/74/20/68/1377742068.db2.gz QGUZQRQHKPMHOC-INIZCTEOSA-N 1 2 344.455 3.140 20 30 EGEDLO N#Cc1ccc(F)c(C[NH+]2CCN(c3ccc(F)c(F)c3)CC2)c1 ZINC001139646661 1377925298 /nfs/dbraw/zinc/92/52/98/1377925298.db2.gz BUIJOZGEHMAZLT-UHFFFAOYSA-N 1 2 331.341 3.298 20 30 EGEDLO C#CC[NH+](CC#C)Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC001139657086 1377927104 /nfs/dbraw/zinc/92/71/04/1377927104.db2.gz UNXWYFQQZRFZSG-UHFFFAOYSA-N 1 2 344.480 3.110 20 30 EGEDLO N#Cc1c(Cl)cccc1C[NH+]1CCC(NC(=O)C2CCCC2)CC1 ZINC001139690794 1377935332 /nfs/dbraw/zinc/93/53/32/1377935332.db2.gz KHXZWBQZRKLTOY-UHFFFAOYSA-N 1 2 345.874 3.482 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1c(O)cccc1Cl ZINC001140345378 1378050433 /nfs/dbraw/zinc/05/04/33/1378050433.db2.gz TXJKEWDIOJHBNC-INIZCTEOSA-N 1 2 347.846 3.081 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1c(O)cccc1Cl ZINC001140345378 1378050434 /nfs/dbraw/zinc/05/04/34/1378050434.db2.gz TXJKEWDIOJHBNC-INIZCTEOSA-N 1 2 347.846 3.081 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(F)cc(F)cc1F)C2 ZINC001140532756 1378080533 /nfs/dbraw/zinc/08/05/33/1378080533.db2.gz UKUCPYZESDVFRZ-RDTXWAMCSA-N 1 2 341.373 3.430 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c(F)cc(F)cc1F)C2 ZINC001140532756 1378080534 /nfs/dbraw/zinc/08/05/34/1378080534.db2.gz UKUCPYZESDVFRZ-RDTXWAMCSA-N 1 2 341.373 3.430 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC001140541125 1378081801 /nfs/dbraw/zinc/08/18/01/1378081801.db2.gz YDWFMICZVNXPIW-OAHLLOKOSA-N 1 2 326.799 3.356 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC001140541125 1378081806 /nfs/dbraw/zinc/08/18/06/1378081806.db2.gz YDWFMICZVNXPIW-OAHLLOKOSA-N 1 2 326.799 3.356 20 30 EGEDLO CCC(=O)N1CC[NH+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC001141287759 1378292088 /nfs/dbraw/zinc/29/20/88/1378292088.db2.gz OCYDILRLAGHIBM-UHFFFAOYSA-N 1 2 349.434 3.405 20 30 EGEDLO Cc1nc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001141426342 1378323602 /nfs/dbraw/zinc/32/36/02/1378323602.db2.gz ACUHEDMTOKXTIX-GFCCVEGCSA-N 1 2 328.359 3.183 20 30 EGEDLO Cc1nc(C(F)(F)F)ccc1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001141426342 1378323608 /nfs/dbraw/zinc/32/36/08/1378323608.db2.gz ACUHEDMTOKXTIX-GFCCVEGCSA-N 1 2 328.359 3.183 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1C[C@H]2CCCC(=O)[C@@H]2C1 ZINC001141818796 1378382012 /nfs/dbraw/zinc/38/20/12/1378382012.db2.gz WANRPGFGDYAQPV-IUODEOHRSA-N 1 2 333.229 3.122 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@H+]1C[C@H]2CCCC(=O)[C@@H]2C1 ZINC001141818796 1378382019 /nfs/dbraw/zinc/38/20/19/1378382019.db2.gz WANRPGFGDYAQPV-IUODEOHRSA-N 1 2 333.229 3.122 20 30 EGEDLO COc1ccc2c(c1)CC[N@@H+](Cc1ccc(C#N)c(SC)n1)C2 ZINC001141929189 1378395921 /nfs/dbraw/zinc/39/59/21/1378395921.db2.gz OYNLKOSXXAEXOW-UHFFFAOYSA-N 1 2 325.437 3.242 20 30 EGEDLO COc1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)c(SC)n1)C2 ZINC001141929189 1378395922 /nfs/dbraw/zinc/39/59/22/1378395922.db2.gz OYNLKOSXXAEXOW-UHFFFAOYSA-N 1 2 325.437 3.242 20 30 EGEDLO COc1cccc2c1CC[N@H+](Cc1ccc(C#N)c(SC)n1)C2 ZINC001141945911 1378396993 /nfs/dbraw/zinc/39/69/93/1378396993.db2.gz RDVROLNAZJNHFU-UHFFFAOYSA-N 1 2 325.437 3.242 20 30 EGEDLO COc1cccc2c1CC[N@@H+](Cc1ccc(C#N)c(SC)n1)C2 ZINC001141945911 1378396996 /nfs/dbraw/zinc/39/69/96/1378396996.db2.gz RDVROLNAZJNHFU-UHFFFAOYSA-N 1 2 325.437 3.242 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCc3sccc3C2)c2cccnc12 ZINC001142223666 1378422172 /nfs/dbraw/zinc/42/21/72/1378422172.db2.gz DJYRYTJSJKRJHH-UHFFFAOYSA-N 1 2 348.431 3.165 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCc3sccc3C2)c2cccnc12 ZINC001142223666 1378422173 /nfs/dbraw/zinc/42/21/73/1378422173.db2.gz DJYRYTJSJKRJHH-UHFFFAOYSA-N 1 2 348.431 3.165 20 30 EGEDLO C#CCNC(=O)CC1=C(c2ccccc2)[NH2+]C(c2ccccc2)S1 ZINC001142485649 1378446701 /nfs/dbraw/zinc/44/67/01/1378446701.db2.gz CJJCZMGSMSRZHH-UHFFFAOYSA-N 1 2 333.436 3.369 20 30 EGEDLO C=CC[N@@H+](C)Cc1cc2ccccc2n1S(=O)(=O)c1ccccc1 ZINC001142572198 1378460925 /nfs/dbraw/zinc/46/09/25/1378460925.db2.gz JQWZMFPSWCBPCO-UHFFFAOYSA-N 1 2 340.448 3.496 20 30 EGEDLO C=CC[N@H+](C)Cc1cc2ccccc2n1S(=O)(=O)c1ccccc1 ZINC001142572198 1378460926 /nfs/dbraw/zinc/46/09/26/1378460926.db2.gz JQWZMFPSWCBPCO-UHFFFAOYSA-N 1 2 340.448 3.496 20 30 EGEDLO N#Cc1ccc(-c2csc(NC(=O)[C@@H]3CC4CC[NH+]3CC4)n2)s1 ZINC001142629107 1378465751 /nfs/dbraw/zinc/46/57/51/1378465751.db2.gz OWDPEOYAOFSDLP-ZDUSSCGKSA-N 1 2 344.465 3.166 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1F ZINC001143164335 1378552249 /nfs/dbraw/zinc/55/22/49/1378552249.db2.gz DJOVJDARLUPMQJ-AWEZNQCLSA-N 1 2 334.288 3.116 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1F ZINC001143164335 1378552257 /nfs/dbraw/zinc/55/22/57/1378552257.db2.gz DJOVJDARLUPMQJ-AWEZNQCLSA-N 1 2 334.288 3.116 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CCc2ccc(C)cc2C)C1 ZINC001282724506 1378578435 /nfs/dbraw/zinc/57/84/35/1378578435.db2.gz HQKJAUZZAQIXEO-INIZCTEOSA-N 1 2 334.891 3.425 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cccc(F)c1OC)CCO2 ZINC001143528444 1378609537 /nfs/dbraw/zinc/60/95/37/1378609537.db2.gz CLWBQOSRHXYDNI-FXAWDEMLSA-N 1 2 349.446 3.408 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cccc(F)c1OC)CCO2 ZINC001143528444 1378609538 /nfs/dbraw/zinc/60/95/38/1378609538.db2.gz CLWBQOSRHXYDNI-FXAWDEMLSA-N 1 2 349.446 3.408 20 30 EGEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC001143726159 1378639288 /nfs/dbraw/zinc/63/92/88/1378639288.db2.gz IRKQVAARHZKGDL-UHFFFAOYSA-N 1 2 345.874 3.436 20 30 EGEDLO C=CCCC(=O)N1CC2(C1)CC[N@@H+](CC#Cc1ccccc1Cl)C2 ZINC001147165130 1378979877 /nfs/dbraw/zinc/97/98/77/1378979877.db2.gz BLBBEMJUEGVAMV-UHFFFAOYSA-N 1 2 342.870 3.192 20 30 EGEDLO C=CCCC(=O)N1CC2(C1)CC[N@H+](CC#Cc1ccccc1Cl)C2 ZINC001147165130 1378979880 /nfs/dbraw/zinc/97/98/80/1378979880.db2.gz BLBBEMJUEGVAMV-UHFFFAOYSA-N 1 2 342.870 3.192 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@H+](CC=C(Cl)Cl)CCCO1 ZINC001150141250 1379501278 /nfs/dbraw/zinc/50/12/78/1379501278.db2.gz YVSJZBDCQYNHBW-ZIAGYGMSSA-N 1 2 349.302 3.115 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](CC=C(Cl)Cl)CCCO1 ZINC001150141250 1379501279 /nfs/dbraw/zinc/50/12/79/1379501279.db2.gz YVSJZBDCQYNHBW-ZIAGYGMSSA-N 1 2 349.302 3.115 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001150363032 1379539423 /nfs/dbraw/zinc/53/94/23/1379539423.db2.gz JQRUTRMSYWEVEW-GDBMZVCRSA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001150363032 1379539427 /nfs/dbraw/zinc/53/94/27/1379539427.db2.gz JQRUTRMSYWEVEW-GDBMZVCRSA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](F)CCCCCC)C1 ZINC001150589020 1379574473 /nfs/dbraw/zinc/57/44/73/1379574473.db2.gz SJCXLMSOXOSYMQ-HOTGVXAUSA-N 1 2 348.890 3.255 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](F)CCCCCC)C1 ZINC001150589020 1379574475 /nfs/dbraw/zinc/57/44/75/1379574475.db2.gz SJCXLMSOXOSYMQ-HOTGVXAUSA-N 1 2 348.890 3.255 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C[C@@H](CC)C(C)C)C1 ZINC001150613101 1379578982 /nfs/dbraw/zinc/57/89/82/1379578982.db2.gz IDMDMQJVPXZFJR-HZPDHXFCSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C[C@@H](CC)C(C)C)C1 ZINC001150613101 1379578985 /nfs/dbraw/zinc/57/89/85/1379578985.db2.gz IDMDMQJVPXZFJR-HZPDHXFCSA-N 1 2 330.900 3.018 20 30 EGEDLO CCCCCCCC[C@H](C)C(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001151848068 1379798630 /nfs/dbraw/zinc/79/86/30/1379798630.db2.gz DPSPRQCCWGALJM-HNNXBMFYSA-N 1 2 338.496 3.225 20 30 EGEDLO C#CCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1csc(C2CC2)n1 ZINC001153025440 1380010535 /nfs/dbraw/zinc/01/05/35/1380010535.db2.gz XCQIQNCTCWVDTM-CQSZACIVSA-N 1 2 333.501 3.151 20 30 EGEDLO C#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1csc(C2CC2)n1 ZINC001153025440 1380010537 /nfs/dbraw/zinc/01/05/37/1380010537.db2.gz XCQIQNCTCWVDTM-CQSZACIVSA-N 1 2 333.501 3.151 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@]1(C)C=CCC1 ZINC001154683418 1380331283 /nfs/dbraw/zinc/33/12/83/1380331283.db2.gz ZGVHOJRWVRPPJB-UKRRQHHQSA-N 1 2 329.282 3.078 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@]1(C)C=CCC1 ZINC001154683418 1380331284 /nfs/dbraw/zinc/33/12/84/1380331284.db2.gz ZGVHOJRWVRPPJB-UKRRQHHQSA-N 1 2 329.282 3.078 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1noc2c1CCCC2 ZINC001154584713 1380310911 /nfs/dbraw/zinc/31/09/11/1380310911.db2.gz VAVYVYCVIRJKOH-OAHLLOKOSA-N 1 2 347.503 3.482 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1noc2c1CCCC2 ZINC001154584713 1380310914 /nfs/dbraw/zinc/31/09/14/1380310914.db2.gz VAVYVYCVIRJKOH-OAHLLOKOSA-N 1 2 347.503 3.482 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)CC(=C)Br ZINC001155489924 1380459862 /nfs/dbraw/zinc/45/98/62/1380459862.db2.gz OMZIBQHREDQKQJ-CYBMUJFWSA-N 1 2 331.298 3.324 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)Br ZINC001155489924 1380459863 /nfs/dbraw/zinc/45/98/63/1380459863.db2.gz OMZIBQHREDQKQJ-CYBMUJFWSA-N 1 2 331.298 3.324 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C2CC2)o1 ZINC001155489553 1380459458 /nfs/dbraw/zinc/45/94/58/1380459458.db2.gz FRWIJKIOHUKMHL-CQSZACIVSA-N 1 2 333.476 3.481 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C2CC2)o1 ZINC001155489553 1380459459 /nfs/dbraw/zinc/45/94/59/1380459459.db2.gz FRWIJKIOHUKMHL-CQSZACIVSA-N 1 2 333.476 3.481 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nc(C)oc1C ZINC001158018700 1381104459 /nfs/dbraw/zinc/10/44/59/1381104459.db2.gz HLADPXXFCOPPDA-QGZVFWFLSA-N 1 2 333.476 3.461 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nc(C)oc1C ZINC001158018700 1381104462 /nfs/dbraw/zinc/10/44/62/1381104462.db2.gz HLADPXXFCOPPDA-QGZVFWFLSA-N 1 2 333.476 3.461 20 30 EGEDLO CC#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@@H](C)c1ncccn1 ZINC001158357421 1381215862 /nfs/dbraw/zinc/21/58/62/1381215862.db2.gz HGABDHVQQZGZNP-ZWKOTPCHSA-N 1 2 342.487 3.044 20 30 EGEDLO CC#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@@H](C)c1ncccn1 ZINC001158357421 1381215866 /nfs/dbraw/zinc/21/58/66/1381215866.db2.gz HGABDHVQQZGZNP-ZWKOTPCHSA-N 1 2 342.487 3.044 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1coc(C)n1 ZINC001158369174 1381220494 /nfs/dbraw/zinc/22/04/94/1381220494.db2.gz CUHYNROCKXXCQO-MAUKXSAKSA-N 1 2 333.476 3.398 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1coc(C)n1 ZINC001158369174 1381220501 /nfs/dbraw/zinc/22/05/01/1381220501.db2.gz CUHYNROCKXXCQO-MAUKXSAKSA-N 1 2 333.476 3.398 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1coc(C)n1 ZINC001158378111 1381225416 /nfs/dbraw/zinc/22/54/16/1381225416.db2.gz XVKCXTCOQAUZCO-FUHWJXTLSA-N 1 2 333.476 3.398 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1coc(C)n1 ZINC001158378111 1381225422 /nfs/dbraw/zinc/22/54/22/1381225422.db2.gz XVKCXTCOQAUZCO-FUHWJXTLSA-N 1 2 333.476 3.398 20 30 EGEDLO O=C(C=CNc1nc(Cl)ccc1C[NH+]1CCCC1)C(F)(F)F ZINC001158558221 1381297574 /nfs/dbraw/zinc/29/75/74/1381297574.db2.gz WGQIFPUGCQLLBV-AATRIKPKSA-N 1 2 333.741 3.388 20 30 EGEDLO CC(C)=CC(=O)NCCC1=CC[N@H+](Cc2cc(F)ccc2C#N)CC1 ZINC001159187481 1381724350 /nfs/dbraw/zinc/72/43/50/1381724350.db2.gz RABQLPJJJODTMH-UHFFFAOYSA-N 1 2 341.430 3.302 20 30 EGEDLO CC(C)=CC(=O)NCCC1=CC[N@@H+](Cc2cc(F)ccc2C#N)CC1 ZINC001159187481 1381724355 /nfs/dbraw/zinc/72/43/55/1381724355.db2.gz RABQLPJJJODTMH-UHFFFAOYSA-N 1 2 341.430 3.302 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)[C@@H](C)CCC)CC1 ZINC001159606958 1381844966 /nfs/dbraw/zinc/84/49/66/1381844966.db2.gz KFDHBLHKEGKUND-ZDUSSCGKSA-N 1 2 343.309 3.470 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C)CCC)CC1 ZINC001159606958 1381844970 /nfs/dbraw/zinc/84/49/70/1381844970.db2.gz KFDHBLHKEGKUND-ZDUSSCGKSA-N 1 2 343.309 3.470 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2cc(C)on2)CC1 ZINC001160942128 1382245630 /nfs/dbraw/zinc/24/56/30/1382245630.db2.gz WHHMPDFQJHOXOW-HOCLYGCPSA-N 1 2 331.460 3.080 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2cc(C)on2)CC1 ZINC001160942128 1382245634 /nfs/dbraw/zinc/24/56/34/1382245634.db2.gz WHHMPDFQJHOXOW-HOCLYGCPSA-N 1 2 331.460 3.080 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001160991140 1382264521 /nfs/dbraw/zinc/26/45/21/1382264521.db2.gz MBQQMAWUFGTNMO-GOEBONIOSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@H+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001160991140 1382264525 /nfs/dbraw/zinc/26/45/25/1382264525.db2.gz MBQQMAWUFGTNMO-GOEBONIOSA-N 1 2 346.475 3.180 20 30 EGEDLO N#Cc1ccc(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)[nH]1 ZINC001297140725 1383121738 /nfs/dbraw/zinc/12/17/38/1383121738.db2.gz MFOVRLBLDDCOJU-UHFFFAOYSA-N 1 2 331.379 3.338 20 30 EGEDLO C=CCOC(=O)N1CCC2(CN(c3cccc(C4CC4)[nH+]3)C2)CC1 ZINC001163869035 1383131489 /nfs/dbraw/zinc/13/14/89/1383131489.db2.gz GZKOIVHQDPFXSW-UHFFFAOYSA-N 1 2 327.428 3.184 20 30 EGEDLO C=C(C)CCC(=O)NCCC1(C[NH2+]Cc2noc(CC(C)C)n2)CC1 ZINC001165265561 1383261872 /nfs/dbraw/zinc/26/18/72/1383261872.db2.gz CGENUDOEWMKCGL-UHFFFAOYSA-N 1 2 348.491 3.001 20 30 EGEDLO COC[C@@]12CCCO[C@H]1CCN(c1[nH+]ccc3ccc(C#N)cc31)C2 ZINC001165954408 1383370439 /nfs/dbraw/zinc/37/04/39/1383370439.db2.gz RUPPFTHNUYIRCG-ICSRJNTNSA-N 1 2 337.423 3.128 20 30 EGEDLO C=C(C)C(=O)NCCCNc1[nH+]cccc1OCc1ccccc1F ZINC001167667707 1383705085 /nfs/dbraw/zinc/70/50/85/1383705085.db2.gz OWWJUZQYBLXOGH-UHFFFAOYSA-N 1 2 343.402 3.294 20 30 EGEDLO C=CC1(CC(=O)NCCC[NH2+][C@H](C)c2noc(C)n2)CCCCC1 ZINC001168183051 1383836357 /nfs/dbraw/zinc/83/63/57/1383836357.db2.gz VFUKGNWIGNUPSY-CQSZACIVSA-N 1 2 334.464 3.062 20 30 EGEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(N[C@H](C)c2cnccn2)[nH+]1 ZINC001169529453 1384156672 /nfs/dbraw/zinc/15/66/72/1384156672.db2.gz KLNLATYUQIBNLR-BUTBVLPCSA-N 1 2 345.472 3.234 20 30 EGEDLO C=CCOC(=O)CC[C@H]([NH2+][C@@H](CC)CC(C)C)C(=O)OCC=C ZINC001172393195 1384783211 /nfs/dbraw/zinc/78/32/11/1384783211.db2.gz IOTXHXXVVGEZEL-HOTGVXAUSA-N 1 2 325.449 3.008 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]3OCC[N@@H+](CC=C(C)C)[C@@H]3C2)CCC1 ZINC001177101311 1385812907 /nfs/dbraw/zinc/81/29/07/1385812907.db2.gz LFAFLDQGNIVIGE-QZTJIDSGSA-N 1 2 332.488 3.001 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]3OCC[N@H+](CC=C(C)C)[C@@H]3C2)CCC1 ZINC001177101311 1385812910 /nfs/dbraw/zinc/81/29/10/1385812910.db2.gz LFAFLDQGNIVIGE-QZTJIDSGSA-N 1 2 332.488 3.001 20 30 EGEDLO C[C@@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F)C1CCC1 ZINC001320009856 1386451496 /nfs/dbraw/zinc/45/14/96/1386451496.db2.gz OIAJOHYIDBKKBM-CQSZACIVSA-N 1 2 331.435 3.024 20 30 EGEDLO C[C@@H](C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F)C1CCC1 ZINC001320009856 1386451498 /nfs/dbraw/zinc/45/14/98/1386451498.db2.gz OIAJOHYIDBKKBM-CQSZACIVSA-N 1 2 331.435 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C1(c2cc(C)cc(C)c2)CC1 ZINC001320085919 1386501061 /nfs/dbraw/zinc/50/10/61/1386501061.db2.gz SWYMMVDYHDRVII-UHFFFAOYSA-N 1 2 334.891 3.478 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C1(c2cc(C)cc(C)c2)CC1 ZINC001320085919 1386501062 /nfs/dbraw/zinc/50/10/62/1386501062.db2.gz SWYMMVDYHDRVII-UHFFFAOYSA-N 1 2 334.891 3.478 20 30 EGEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(-c3cccs3)s2)CC1 ZINC001320886157 1386747761 /nfs/dbraw/zinc/74/77/61/1386747761.db2.gz GAYOQYACFWBBOP-UHFFFAOYSA-N 1 2 330.478 3.258 20 30 EGEDLO C#Cc1cc(NC(=O)[C@H](c2ccccc2Cl)[NH+](CC)CC)ccn1 ZINC001182217504 1387123108 /nfs/dbraw/zinc/12/31/08/1387123108.db2.gz AFDSTAKHEALEMG-SFHVURJKSA-N 1 2 341.842 3.160 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC001182364649 1387156936 /nfs/dbraw/zinc/15/69/36/1387156936.db2.gz KWIOVRUXPKQNNG-LSDHHAIUSA-N 1 2 338.373 3.139 20 30 EGEDLO C=CCC[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001336215724 1389038593 /nfs/dbraw/zinc/03/85/93/1389038593.db2.gz FEEIERNBPOLSCQ-HNNXBMFYSA-N 1 2 340.383 3.351 20 30 EGEDLO N#CC1(C(=O)N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)CCCCC1 ZINC001336603469 1389125316 /nfs/dbraw/zinc/12/53/16/1389125316.db2.gz ZROCZQGCNUUEBC-MRXNPFEDSA-N 1 2 331.847 3.287 20 30 EGEDLO C=C(Br)C[N@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)C ZINC001329935687 1389263926 /nfs/dbraw/zinc/26/39/26/1389263926.db2.gz GEQMMKWJUOASSU-ZDUSSCGKSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)C ZINC001329935687 1389263927 /nfs/dbraw/zinc/26/39/27/1389263927.db2.gz GEQMMKWJUOASSU-ZDUSSCGKSA-N 1 2 331.298 3.302 20 30 EGEDLO CCOC(=O)C(C)(C)O[NH+]=Cc1sc(N2CCCCC2)nc1C ZINC001330722481 1389509692 /nfs/dbraw/zinc/50/96/92/1389509692.db2.gz YTMVGDXHIZLWPQ-UHFFFAOYSA-N 1 2 339.461 3.134 20 30 EGEDLO C=C(C)CN(CC)c1nnc([C@H](C)[N@H+](C)Cc2ccccc2)n1C ZINC001338151302 1389562071 /nfs/dbraw/zinc/56/20/71/1389562071.db2.gz GJILWLDBOUBGDR-INIZCTEOSA-N 1 2 327.476 3.411 20 30 EGEDLO C=C(C)CN(CC)c1nnc([C@H](C)[N@@H+](C)Cc2ccccc2)n1C ZINC001338151302 1389562073 /nfs/dbraw/zinc/56/20/73/1389562073.db2.gz GJILWLDBOUBGDR-INIZCTEOSA-N 1 2 327.476 3.411 20 30 EGEDLO C=CCN(CC1CCCCC1)c1nnc(Cc2[nH+]ccn2C)n1CC ZINC001339276024 1389969488 /nfs/dbraw/zinc/96/94/88/1389969488.db2.gz XYHHBIPYPOXHQY-UHFFFAOYSA-N 1 2 342.491 3.195 20 30 EGEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCCC[C@@H](C)C1 ZINC001339366763 1390008541 /nfs/dbraw/zinc/00/85/41/1390008541.db2.gz DWFPPHRHWIMQMR-MRXNPFEDSA-N 1 2 344.507 3.017 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCCC(F)(F)CC1 ZINC001339541788 1390061207 /nfs/dbraw/zinc/06/12/07/1390061207.db2.gz IVTVUHWJLMUGMA-AWEZNQCLSA-N 1 2 339.434 3.247 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCCC(F)(F)CC1 ZINC001339541788 1390061209 /nfs/dbraw/zinc/06/12/09/1390061209.db2.gz IVTVUHWJLMUGMA-AWEZNQCLSA-N 1 2 339.434 3.247 20 30 EGEDLO C=C(C)Cn1c(C(F)F)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001342066502 1390567224 /nfs/dbraw/zinc/56/72/24/1390567224.db2.gz XKVXMYDDXNZHBI-UHFFFAOYSA-N 1 2 348.401 3.268 20 30 EGEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC(CSC)CC1 ZINC001342099548 1390571759 /nfs/dbraw/zinc/57/17/59/1390571759.db2.gz IUWUSCWNUGUQSU-UHFFFAOYSA-N 1 2 349.548 3.029 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](CF)C1 ZINC001342329853 1390601896 /nfs/dbraw/zinc/60/18/96/1390601896.db2.gz QSJNJDNWEUFWAK-HZPDHXFCSA-N 1 2 335.471 3.197 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](CF)C1 ZINC001342329853 1390601898 /nfs/dbraw/zinc/60/18/98/1390601898.db2.gz QSJNJDNWEUFWAK-HZPDHXFCSA-N 1 2 335.471 3.197 20 30 EGEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)c1cccc(C)c1 ZINC001343420883 1390713008 /nfs/dbraw/zinc/71/30/08/1390713008.db2.gz WBJZWPHIRWBCNA-UHFFFAOYSA-N 1 2 336.443 3.255 20 30 EGEDLO C=C(C)Cn1c(Nc2cccc(OC)c2)nnc1[C@H]1CCC[N@@H+]1C ZINC001343456109 1390715152 /nfs/dbraw/zinc/71/51/52/1390715152.db2.gz AJLUNYFQLBUKDT-MRXNPFEDSA-N 1 2 327.432 3.373 20 30 EGEDLO C=C(C)Cn1c(Nc2cccc(OC)c2)nnc1[C@H]1CCC[N@H+]1C ZINC001343456109 1390715154 /nfs/dbraw/zinc/71/51/54/1390715154.db2.gz AJLUNYFQLBUKDT-MRXNPFEDSA-N 1 2 327.432 3.373 20 30 EGEDLO CC(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC(C)(C#N)CC1 ZINC001344869408 1390820336 /nfs/dbraw/zinc/82/03/36/1390820336.db2.gz BOIUSWKBYCUDPA-MRXNPFEDSA-N 1 2 344.507 3.221 20 30 EGEDLO CC(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC(C)(C#N)CC1 ZINC001344869408 1390820337 /nfs/dbraw/zinc/82/03/37/1390820337.db2.gz BOIUSWKBYCUDPA-MRXNPFEDSA-N 1 2 344.507 3.221 20 30 EGEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC(SC)CC1 ZINC001346635927 1390964417 /nfs/dbraw/zinc/96/44/17/1390964417.db2.gz FORMWXUKNHZSJO-UHFFFAOYSA-N 1 2 349.548 3.172 20 30 EGEDLO N#CC[C@@H](C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC001352915601 1391880119 /nfs/dbraw/zinc/88/01/19/1391880119.db2.gz UJAZAKVIGHPYFR-HXUWFJFHSA-N 1 2 349.434 3.155 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccc(Cl)c(OC)c1 ZINC001481005175 1393082946 /nfs/dbraw/zinc/08/29/46/1393082946.db2.gz RFVXNVAGJHRPDY-UHFFFAOYSA-N 1 2 331.243 3.153 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccc(Cl)c(OC)c1 ZINC001481005175 1393082949 /nfs/dbraw/zinc/08/29/49/1393082949.db2.gz RFVXNVAGJHRPDY-UHFFFAOYSA-N 1 2 331.243 3.153 20 30 EGEDLO CCCC[C@@H](CC)C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001481616710 1394421434 /nfs/dbraw/zinc/42/14/34/1394421434.db2.gz ZFVZFKXAYKGCGU-QGZVFWFLSA-N 1 2 345.462 3.462 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(-c2cnco2)cc1 ZINC001485319515 1395794559 /nfs/dbraw/zinc/79/45/59/1395794559.db2.gz MREZPFLVCGWMSA-ZDUSSCGKSA-N 1 2 333.819 3.144 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(-c2cnco2)cc1 ZINC001485319515 1395794565 /nfs/dbraw/zinc/79/45/65/1395794565.db2.gz MREZPFLVCGWMSA-ZDUSSCGKSA-N 1 2 333.819 3.144 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1c[nH]nc1C1CCCCC1 ZINC001485370271 1395848957 /nfs/dbraw/zinc/84/89/57/1395848957.db2.gz LDQXPNDXYNKDPF-ZDUSSCGKSA-N 1 2 338.883 3.260 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1c[nH]nc1C1CCCCC1 ZINC001485370271 1395848960 /nfs/dbraw/zinc/84/89/60/1395848960.db2.gz LDQXPNDXYNKDPF-ZDUSSCGKSA-N 1 2 338.883 3.260 20 30 EGEDLO CCC[C@H](CC)C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001494606966 1396485501 /nfs/dbraw/zinc/48/55/01/1396485501.db2.gz PIXICDIKISPQOA-INIZCTEOSA-N 1 2 331.435 3.072 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1coc2cc(F)ccc12 ZINC001498278820 1396956861 /nfs/dbraw/zinc/95/68/61/1396956861.db2.gz BPVGRZMPBXQUKR-LBPRGKRZSA-N 1 2 338.810 3.303 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1coc2cc(F)ccc12 ZINC001498278820 1396956865 /nfs/dbraw/zinc/95/68/65/1396956865.db2.gz BPVGRZMPBXQUKR-LBPRGKRZSA-N 1 2 338.810 3.303 20 30 EGEDLO CCC[C@@H](C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F)C(C)C ZINC001690980852 1404893497 /nfs/dbraw/zinc/89/34/97/1404893497.db2.gz UTZVMTLDPRUYOT-QGZVFWFLSA-N 1 2 333.451 3.318 20 30 EGEDLO CCC[C@@H](C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F)C(C)C ZINC001690980852 1404893506 /nfs/dbraw/zinc/89/35/06/1404893506.db2.gz UTZVMTLDPRUYOT-QGZVFWFLSA-N 1 2 333.451 3.318 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001691059035 1404980730 /nfs/dbraw/zinc/98/07/30/1404980730.db2.gz NHQYUKSQALNRLZ-ZDUSSCGKSA-N 1 2 326.843 3.195 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001691059035 1404980735 /nfs/dbraw/zinc/98/07/35/1404980735.db2.gz NHQYUKSQALNRLZ-ZDUSSCGKSA-N 1 2 326.843 3.195 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cnn(C(C)C)c2)C1 ZINC001691866558 1405585661 /nfs/dbraw/zinc/58/56/61/1405585661.db2.gz AMAHYSQGDCJPFP-INIZCTEOSA-N 1 2 338.883 3.143 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cnn(C(C)C)c2)C1 ZINC001691866558 1405585665 /nfs/dbraw/zinc/58/56/65/1405585665.db2.gz AMAHYSQGDCJPFP-INIZCTEOSA-N 1 2 338.883 3.143 20 30 EGEDLO CCC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001692150951 1405804593 /nfs/dbraw/zinc/80/45/93/1405804593.db2.gz QAIHOLRMZRZTOO-INIZCTEOSA-N 1 2 331.435 3.214 20 30 EGEDLO CCC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001692150951 1405804595 /nfs/dbraw/zinc/80/45/95/1405804595.db2.gz QAIHOLRMZRZTOO-INIZCTEOSA-N 1 2 331.435 3.214 20 30 EGEDLO CC1(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)CCCCC1 ZINC001699632519 1413003286 /nfs/dbraw/zinc/00/32/86/1413003286.db2.gz JWDLHVLLEAGKCX-CQSZACIVSA-N 1 2 331.485 3.281 20 30 EGEDLO CC1(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)CCCCC1 ZINC001699632519 1413003293 /nfs/dbraw/zinc/00/32/93/1413003293.db2.gz JWDLHVLLEAGKCX-CQSZACIVSA-N 1 2 331.485 3.281 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2cccc(C(F)F)c2)C1 ZINC001700542456 1414210161 /nfs/dbraw/zinc/21/01/61/1414210161.db2.gz GGVOHPNZBKIGTM-LBPRGKRZSA-N 1 2 342.817 3.356 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cc1ccc(C)cc1Cl ZINC001713487289 1418182726 /nfs/dbraw/zinc/18/27/26/1418182726.db2.gz NQMYGXMSKUGFNZ-UHFFFAOYSA-N 1 2 329.271 3.382 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cc1ccc(C)cc1Cl ZINC001713487289 1418182728 /nfs/dbraw/zinc/18/27/28/1418182728.db2.gz NQMYGXMSKUGFNZ-UHFFFAOYSA-N 1 2 329.271 3.382 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1csc(CC(C)C)n1)C1CC1 ZINC001713565773 1418375469 /nfs/dbraw/zinc/37/54/69/1418375469.db2.gz ABEXJROAGHNNQL-UHFFFAOYSA-N 1 2 341.908 3.288 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1csc(CC(C)C)n1)C1CC1 ZINC001713565773 1418375471 /nfs/dbraw/zinc/37/54/71/1418375471.db2.gz ABEXJROAGHNNQL-UHFFFAOYSA-N 1 2 341.908 3.288 20 30 EGEDLO CCC(C)(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001713823261 1418623882 /nfs/dbraw/zinc/62/38/82/1418623882.db2.gz IEMJFDLNECFNFY-INIZCTEOSA-N 1 2 331.435 3.214 20 30 EGEDLO CCC(C)(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001713823261 1418623883 /nfs/dbraw/zinc/62/38/83/1418623883.db2.gz IEMJFDLNECFNFY-INIZCTEOSA-N 1 2 331.435 3.214 20 30 EGEDLO C[N@H+](CCNC(=O)[C@H]1CCC(C)(C)C1)Cc1cc(C#N)ccc1F ZINC001714558487 1419285779 /nfs/dbraw/zinc/28/57/79/1419285779.db2.gz LFXURECJZILVFA-HNNXBMFYSA-N 1 2 331.435 3.072 20 30 EGEDLO C[N@@H+](CCNC(=O)[C@H]1CCC(C)(C)C1)Cc1cc(C#N)ccc1F ZINC001714558487 1419285782 /nfs/dbraw/zinc/28/57/82/1419285782.db2.gz LFXURECJZILVFA-HNNXBMFYSA-N 1 2 331.435 3.072 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2CNC(=O)C2(F)CCCC2)c1 ZINC001714615233 1419376787 /nfs/dbraw/zinc/37/67/87/1419376787.db2.gz LGSLFXJKZHKYFR-MRXNPFEDSA-N 1 2 347.409 3.060 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2CNC(=O)C2(F)CCCC2)c1 ZINC001714615233 1419376788 /nfs/dbraw/zinc/37/67/88/1419376788.db2.gz LGSLFXJKZHKYFR-MRXNPFEDSA-N 1 2 347.409 3.060 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc(F)cc2cccnc21)C1CC1 ZINC001714673194 1419463725 /nfs/dbraw/zinc/46/37/25/1419463725.db2.gz JWMOGDPZUHMKHJ-UHFFFAOYSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc(F)cc2cccnc21)C1CC1 ZINC001714673194 1419463726 /nfs/dbraw/zinc/46/37/26/1419463726.db2.gz JWMOGDPZUHMKHJ-UHFFFAOYSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)CCc2cncc(C)c2)C1 ZINC001714854124 1419567577 /nfs/dbraw/zinc/56/75/77/1419567577.db2.gz CEPRBWKYJHVMJO-SFHVURJKSA-N 1 2 349.906 3.388 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)CCc2cncc(C)c2)C1 ZINC001714854124 1419567579 /nfs/dbraw/zinc/56/75/79/1419567579.db2.gz CEPRBWKYJHVMJO-SFHVURJKSA-N 1 2 349.906 3.388 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CCc2ccsc2)C1 ZINC001715042722 1419782220 /nfs/dbraw/zinc/78/22/20/1419782220.db2.gz YKIRVINURHTEJN-OAHLLOKOSA-N 1 2 326.893 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCc2ccsc2)C1 ZINC001715042722 1419782221 /nfs/dbraw/zinc/78/22/21/1419782221.db2.gz YKIRVINURHTEJN-OAHLLOKOSA-N 1 2 326.893 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1ccc2c(c1)CCCC2 ZINC001716005289 1420459544 /nfs/dbraw/zinc/45/95/44/1420459544.db2.gz ZHXXJBWZBJQDMS-UHFFFAOYSA-N 1 2 334.891 3.251 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1ccc2c(c1)CCCC2 ZINC001716005289 1420459545 /nfs/dbraw/zinc/45/95/45/1420459545.db2.gz ZHXXJBWZBJQDMS-UHFFFAOYSA-N 1 2 334.891 3.251 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C2(CCC)CC2)C[C@H]1C ZINC001717337690 1421275431 /nfs/dbraw/zinc/27/54/31/1421275431.db2.gz MICZOTSNHNKTKJ-ZIAGYGMSSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C2(CCC)CC2)C[C@H]1C ZINC001717337690 1421275434 /nfs/dbraw/zinc/27/54/34/1421275434.db2.gz MICZOTSNHNKTKJ-ZIAGYGMSSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C1(Cc2ccc(F)cc2)CC1 ZINC001717492081 1421430908 /nfs/dbraw/zinc/43/09/08/1421430908.db2.gz VXZQNRKIJZIGJE-AWEZNQCLSA-N 1 2 338.854 3.337 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C1(Cc2ccc(F)cc2)CC1 ZINC001717492081 1421430909 /nfs/dbraw/zinc/43/09/09/1421430909.db2.gz VXZQNRKIJZIGJE-AWEZNQCLSA-N 1 2 338.854 3.337 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)CCCC2CC2)C1 ZINC001733410380 1429610375 /nfs/dbraw/zinc/61/03/75/1429610375.db2.gz SRAUFCXKVRDLPW-HNNXBMFYSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)CCCC2CC2)C1 ZINC001733410380 1429610376 /nfs/dbraw/zinc/61/03/76/1429610376.db2.gz SRAUFCXKVRDLPW-HNNXBMFYSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnn(C2CCCCC2)c1 ZINC001722906351 1424236775 /nfs/dbraw/zinc/23/67/75/1424236775.db2.gz WDOUAFGBXGSNLB-CQSZACIVSA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cnn(C2CCCCC2)c1 ZINC001722906351 1424236778 /nfs/dbraw/zinc/23/67/78/1424236778.db2.gz WDOUAFGBXGSNLB-CQSZACIVSA-N 1 2 338.883 3.191 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)CCc2cccs2)s1 ZINC001723483755 1424434940 /nfs/dbraw/zinc/43/49/40/1424434940.db2.gz SZEPXFRQOHDWJA-ZDUSSCGKSA-N 1 2 345.493 3.005 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)CCc2cccs2)s1 ZINC001723483755 1424434942 /nfs/dbraw/zinc/43/49/42/1424434942.db2.gz SZEPXFRQOHDWJA-ZDUSSCGKSA-N 1 2 345.493 3.005 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)CCC2CCC2)C[C@@H]1C ZINC001724993813 1425397240 /nfs/dbraw/zinc/39/72/40/1425397240.db2.gz LIIJHQPVJOQHEO-DZGCQCFKSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)CCC2CCC2)C[C@@H]1C ZINC001724993813 1425397248 /nfs/dbraw/zinc/39/72/48/1425397248.db2.gz LIIJHQPVJOQHEO-DZGCQCFKSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CCc2cccc(F)c2F)C1 ZINC001725269956 1425905720 /nfs/dbraw/zinc/90/57/20/1425905720.db2.gz ZHSWNNWXTVYNAN-GFCCVEGCSA-N 1 2 342.817 3.086 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)COc2ccccc2C)[C@@H]1C ZINC001725614591 1426276544 /nfs/dbraw/zinc/27/65/44/1426276544.db2.gz AAWRZYHWXZIXPJ-HOTGVXAUSA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)COc2ccccc2C)[C@@H]1C ZINC001725614591 1426276546 /nfs/dbraw/zinc/27/65/46/1426276546.db2.gz AAWRZYHWXZIXPJ-HOTGVXAUSA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)COc2ccccc2C)[C@H]1C ZINC001725614596 1426276684 /nfs/dbraw/zinc/27/66/84/1426276684.db2.gz AAWRZYHWXZIXPJ-HZPDHXFCSA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)COc2ccccc2C)[C@H]1C ZINC001725614596 1426276688 /nfs/dbraw/zinc/27/66/88/1426276688.db2.gz AAWRZYHWXZIXPJ-HZPDHXFCSA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)CCc1ccc(C)s1)C1CC1 ZINC001731883305 1428155450 /nfs/dbraw/zinc/15/54/50/1428155450.db2.gz DGNVQUCTDNCTQO-UHFFFAOYSA-N 1 2 326.893 3.322 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)CCc1ccc(C)s1)C1CC1 ZINC001731883305 1428155453 /nfs/dbraw/zinc/15/54/53/1428155453.db2.gz DGNVQUCTDNCTQO-UHFFFAOYSA-N 1 2 326.893 3.322 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)[C@H]1C ZINC001736286413 1438671779 /nfs/dbraw/zinc/67/17/79/1438671779.db2.gz PRKPGFUGORWODU-SJORKVTESA-N 1 2 343.471 3.082 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1noc(CC)n1 ZINC001752146776 1440146172 /nfs/dbraw/zinc/14/61/72/1440146172.db2.gz PHZZEAJINQBJBA-LSDHHAIUSA-N 1 2 348.491 3.094 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC001752156588 1440147374 /nfs/dbraw/zinc/14/73/74/1440147374.db2.gz HRTQXDIWQBLFRU-GXFFZTMASA-N 1 2 346.809 3.073 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1noc(C(C)C)n1 ZINC001752158293 1440148013 /nfs/dbraw/zinc/14/80/13/1440148013.db2.gz MFOUNUKHOKRKOQ-JKSUJKDBSA-N 1 2 348.491 3.409 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3c(F)cccc3F)C2)CCC1 ZINC001752400391 1440174037 /nfs/dbraw/zinc/17/40/37/1440174037.db2.gz LGWXREFQHZPNIS-AWEZNQCLSA-N 1 2 334.410 3.402 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3c(F)cccc3F)C2)CCC1 ZINC001752400391 1440174038 /nfs/dbraw/zinc/17/40/38/1440174038.db2.gz LGWXREFQHZPNIS-AWEZNQCLSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)c2ncccc2F)CC1 ZINC001752439444 1440180645 /nfs/dbraw/zinc/18/06/45/1440180645.db2.gz HKFGSTKSCJMDDH-UHFFFAOYSA-N 1 2 339.842 3.290 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ncc(C)o2)CCC1 ZINC001752822422 1440221486 /nfs/dbraw/zinc/22/14/86/1440221486.db2.gz GUJIVASPKOJEPW-INIZCTEOSA-N 1 2 331.460 3.200 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ncc(C)o2)CCC1 ZINC001752822422 1440221487 /nfs/dbraw/zinc/22/14/87/1440221487.db2.gz GUJIVASPKOJEPW-INIZCTEOSA-N 1 2 331.460 3.200 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCCCO1 ZINC001752822566 1440221559 /nfs/dbraw/zinc/22/15/59/1440221559.db2.gz KBKJLAQHJSKASN-HZPDHXFCSA-N 1 2 328.884 3.059 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCCCO1 ZINC001752822566 1440221560 /nfs/dbraw/zinc/22/15/60/1440221560.db2.gz KBKJLAQHJSKASN-HZPDHXFCSA-N 1 2 328.884 3.059 20 30 EGEDLO C[N@H+](CCNC(=O)c1cc(Cl)ccc1F)Cc1ccccc1C#N ZINC001753054759 1440280754 /nfs/dbraw/zinc/28/07/54/1440280754.db2.gz WKOWIWSFABZKQA-UHFFFAOYSA-N 1 2 345.805 3.213 20 30 EGEDLO C[N@@H+](CCNC(=O)c1cc(Cl)ccc1F)Cc1ccccc1C#N ZINC001753054759 1440280755 /nfs/dbraw/zinc/28/07/55/1440280755.db2.gz WKOWIWSFABZKQA-UHFFFAOYSA-N 1 2 345.805 3.213 20 30 EGEDLO C=C1CC(C)(C(=O)NCC[N@@H+](C)Cc2nsc3ccccc32)C1 ZINC001753062912 1440284399 /nfs/dbraw/zinc/28/43/99/1440284399.db2.gz BQGFDUKLXXJMRG-UHFFFAOYSA-N 1 2 329.469 3.201 20 30 EGEDLO C=C1CC(C)(C(=O)NCC[N@H+](C)Cc2nsc3ccccc32)C1 ZINC001753062912 1440284400 /nfs/dbraw/zinc/28/44/00/1440284400.db2.gz BQGFDUKLXXJMRG-UHFFFAOYSA-N 1 2 329.469 3.201 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)C(=C)C ZINC001753109523 1440307681 /nfs/dbraw/zinc/30/76/81/1440307681.db2.gz SQPQJRXJNGORSP-CYBMUJFWSA-N 1 2 329.282 3.078 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)C(=C)C ZINC001753109523 1440307682 /nfs/dbraw/zinc/30/76/82/1440307682.db2.gz SQPQJRXJNGORSP-CYBMUJFWSA-N 1 2 329.282 3.078 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H]2CCC[N@@H+]2Cc2csc(C3CC3)n2)C1 ZINC001753111754 1440308841 /nfs/dbraw/zinc/30/88/41/1440308841.db2.gz OGOJCEVUNGMCOC-MRXNPFEDSA-N 1 2 345.512 3.457 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H]2CCC[N@H+]2Cc2csc(C3CC3)n2)C1 ZINC001753111754 1440308842 /nfs/dbraw/zinc/30/88/42/1440308842.db2.gz OGOJCEVUNGMCOC-MRXNPFEDSA-N 1 2 345.512 3.457 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)ns1 ZINC001753308260 1440355825 /nfs/dbraw/zinc/35/58/25/1440355825.db2.gz SPDJHYAXYICECR-OAGGEKHMSA-N 1 2 333.501 3.229 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)ns1 ZINC001753308260 1440355826 /nfs/dbraw/zinc/35/58/26/1440355826.db2.gz SPDJHYAXYICECR-OAGGEKHMSA-N 1 2 333.501 3.229 20 30 EGEDLO C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(C)c(C)s1 ZINC001753308418 1440356016 /nfs/dbraw/zinc/35/60/16/1440356016.db2.gz XSSPHWFYLLFDIH-IYBDPMFKSA-N 1 2 333.501 3.291 20 30 EGEDLO C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(C)c(C)s1 ZINC001753308418 1440356017 /nfs/dbraw/zinc/35/60/17/1440356017.db2.gz XSSPHWFYLLFDIH-IYBDPMFKSA-N 1 2 333.501 3.291 20 30 EGEDLO C#CCCCC(=O)N(CCC)[C@@H]1CC[N@H+](Cc2csc(C)n2)C1 ZINC001753316689 1440360041 /nfs/dbraw/zinc/36/00/41/1440360041.db2.gz YEEQRUTWWVSGFC-QGZVFWFLSA-N 1 2 333.501 3.068 20 30 EGEDLO C#CCCCC(=O)N(CCC)[C@@H]1CC[N@@H+](Cc2csc(C)n2)C1 ZINC001753316689 1440360042 /nfs/dbraw/zinc/36/00/42/1440360042.db2.gz YEEQRUTWWVSGFC-QGZVFWFLSA-N 1 2 333.501 3.068 20 30 EGEDLO C=CCC1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cncc(C)c2)CCCC1 ZINC001753427324 1440397458 /nfs/dbraw/zinc/39/74/58/1440397458.db2.gz FUVXAUOPJNPDCZ-OALUTQOASA-N 1 2 339.483 3.312 20 30 EGEDLO C=CCC1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cncc(C)c2)CCCC1 ZINC001753427324 1440397459 /nfs/dbraw/zinc/39/74/59/1440397459.db2.gz FUVXAUOPJNPDCZ-OALUTQOASA-N 1 2 339.483 3.312 20 30 EGEDLO C=CCCC(=O)N(C)[C@H]1CC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC001753433957 1440399297 /nfs/dbraw/zinc/39/92/97/1440399297.db2.gz QAZDBBLXHLXIJQ-SFHVURJKSA-N 1 2 339.439 3.341 20 30 EGEDLO C=CCCC(=O)N(C)[C@H]1CC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC001753433957 1440399298 /nfs/dbraw/zinc/39/92/98/1440399298.db2.gz QAZDBBLXHLXIJQ-SFHVURJKSA-N 1 2 339.439 3.341 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)OC2CCCCC2)C1 ZINC001753437892 1440400399 /nfs/dbraw/zinc/40/03/99/1440400399.db2.gz OSVRLLNUPKCFLL-DOTOQJQBSA-N 1 2 342.911 3.400 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)OC2CCCCC2)C1 ZINC001753437892 1440400400 /nfs/dbraw/zinc/40/04/00/1440400400.db2.gz OSVRLLNUPKCFLL-DOTOQJQBSA-N 1 2 342.911 3.400 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N(C)[C@H]1CC[N@H+](Cc2ncc(C(C)C)o2)C1 ZINC001753441027 1440401780 /nfs/dbraw/zinc/40/17/80/1440401780.db2.gz ASRIMXADVSJJJQ-HOTGVXAUSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ncc(C(C)C)o2)C1 ZINC001753441027 1440401781 /nfs/dbraw/zinc/40/17/81/1440401781.db2.gz ASRIMXADVSJJJQ-HOTGVXAUSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)CC[C@H]2CC(C)(C)CO2)C1 ZINC001753461977 1440411183 /nfs/dbraw/zinc/41/11/83/1440411183.db2.gz PZIQNFVFWLSJLW-HOTGVXAUSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)CC[C@H]2CC(C)(C)CO2)C1 ZINC001753461977 1440411184 /nfs/dbraw/zinc/41/11/84/1440411184.db2.gz PZIQNFVFWLSJLW-HOTGVXAUSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H](CC)[NH2+][C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC001753490297 1440419318 /nfs/dbraw/zinc/41/93/18/1440419318.db2.gz SKORHJFOGKHMPX-KGLIPLIRSA-N 1 2 348.491 3.269 20 30 EGEDLO C=CCC1(C(=O)NC[C@H](CC)[NH2+]Cc2csnn2)CCCCC1 ZINC001753496680 1440421851 /nfs/dbraw/zinc/42/18/51/1440421851.db2.gz HBGUHLCDFLKWFD-AWEZNQCLSA-N 1 2 336.505 3.049 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](C/C=C\c2ccccc2)CCO1 ZINC001753651620 1440456571 /nfs/dbraw/zinc/45/65/71/1440456571.db2.gz QODLYVVCLQNAKI-SCEWNMGZSA-N 1 2 342.483 3.119 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](C/C=C\c2ccccc2)CCO1 ZINC001753651620 1440456572 /nfs/dbraw/zinc/45/65/72/1440456572.db2.gz QODLYVVCLQNAKI-SCEWNMGZSA-N 1 2 342.483 3.119 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)CC1CC(C)(C)C1 ZINC001753860768 1440511195 /nfs/dbraw/zinc/51/11/95/1440511195.db2.gz JJUMENMKSNINET-UHFFFAOYSA-N 1 2 345.462 3.414 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)CC1CC(C)(C)C1 ZINC001753860768 1440511196 /nfs/dbraw/zinc/51/11/96/1440511196.db2.gz JJUMENMKSNINET-UHFFFAOYSA-N 1 2 345.462 3.414 20 30 EGEDLO C=C1CC(C)(C(=O)N(CC)CC[NH2+][C@H](C)c2nc(C(C)C)no2)C1 ZINC001754066371 1440537595 /nfs/dbraw/zinc/53/75/95/1440537595.db2.gz JVBZISXEWSWMIU-CQSZACIVSA-N 1 2 334.464 3.048 20 30 EGEDLO C=CCC1(C(=O)N[C@H](C)C[NH2+][C@@H](C)c2nnc(C)o2)CCCCC1 ZINC001754254948 1440558911 /nfs/dbraw/zinc/55/89/11/1440558911.db2.gz USJXOVXZILKJHS-KGLIPLIRSA-N 1 2 334.464 3.060 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C(C)C)n1 ZINC001754491541 1440610250 /nfs/dbraw/zinc/61/02/50/1440610250.db2.gz LLVWCQQAJXRXNX-SJLPKXTDSA-N 1 2 329.488 3.498 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C(C)C)n1 ZINC001754491541 1440610251 /nfs/dbraw/zinc/61/02/51/1440610251.db2.gz LLVWCQQAJXRXNX-SJLPKXTDSA-N 1 2 329.488 3.498 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N(C)C1C[NH+](Cc2ccc(C)c(OC)c2)C1 ZINC001754581282 1440638665 /nfs/dbraw/zinc/63/86/65/1440638665.db2.gz XMMAVSTUSVWJIG-FQEVSTJZSA-N 1 2 330.472 3.249 20 30 EGEDLO C#CCN(C(=O)CC(C)=C(C)C)C1CC[NH+](Cc2cscn2)CC1 ZINC001754639413 1440648874 /nfs/dbraw/zinc/64/88/74/1440648874.db2.gz GUDZOHIZPAFSNY-UHFFFAOYSA-N 1 2 345.512 3.316 20 30 EGEDLO C[C@H](C#N)C(=O)N[C@]1(C)CC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC001754668628 1440657234 /nfs/dbraw/zinc/65/72/34/1440657234.db2.gz PGINFKHUISJQFY-BDJLRTHQSA-N 1 2 340.254 3.234 20 30 EGEDLO C[C@H](C#N)C(=O)N[C@]1(C)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC001754668628 1440657235 /nfs/dbraw/zinc/65/72/35/1440657235.db2.gz PGINFKHUISJQFY-BDJLRTHQSA-N 1 2 340.254 3.234 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@]1(C)CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC001754674006 1440659193 /nfs/dbraw/zinc/65/91/93/1440659193.db2.gz LSPHJYCWFOLVOO-HXUWFJFHSA-N 1 2 343.471 3.401 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@]1(C)CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC001754674006 1440659194 /nfs/dbraw/zinc/65/91/94/1440659194.db2.gz LSPHJYCWFOLVOO-HXUWFJFHSA-N 1 2 343.471 3.401 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H](C)OC2CCCCCC2)C1 ZINC001754677894 1440660945 /nfs/dbraw/zinc/66/09/45/1440660945.db2.gz BRRGJIHQAQLTEU-YJBOKZPZSA-N 1 2 342.911 3.447 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)OC2CCCCCC2)C1 ZINC001754677894 1440660946 /nfs/dbraw/zinc/66/09/46/1440660946.db2.gz BRRGJIHQAQLTEU-YJBOKZPZSA-N 1 2 342.911 3.447 20 30 EGEDLO C=C[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](Cc2nocc2C)C1)c1ccccc1 ZINC001754682487 1440663190 /nfs/dbraw/zinc/66/31/90/1440663190.db2.gz MSKROQPBYCZCIQ-XLIONFOSSA-N 1 2 339.439 3.033 20 30 EGEDLO C=C[C@@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2nocc2C)C1)c1ccccc1 ZINC001754682487 1440663191 /nfs/dbraw/zinc/66/31/91/1440663191.db2.gz MSKROQPBYCZCIQ-XLIONFOSSA-N 1 2 339.439 3.033 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)CCCCCC)C1 ZINC001754684265 1440664126 /nfs/dbraw/zinc/66/41/26/1440664126.db2.gz OTECHXIDKVVXEZ-HNNXBMFYSA-N 1 2 331.298 3.446 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)CCCCCC)C1 ZINC001754684265 1440664127 /nfs/dbraw/zinc/66/41/27/1440664127.db2.gz OTECHXIDKVVXEZ-HNNXBMFYSA-N 1 2 331.298 3.446 20 30 EGEDLO C=CC(C)(C)C(=O)NCc1ccc([C@H](C)[NH2+]Cc2nncs2)cc1 ZINC001754949286 1440714614 /nfs/dbraw/zinc/71/46/14/1440714614.db2.gz ZREKVNFMWOYFEP-ZDUSSCGKSA-N 1 2 344.484 3.217 20 30 EGEDLO C=CCCC(=O)NCc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc(C)o2)cc1 ZINC001754955216 1440716266 /nfs/dbraw/zinc/71/62/66/1440716266.db2.gz XTKXUTCXPVMXFP-KGLIPLIRSA-N 1 2 342.443 3.372 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[NH+]([C@H](C)c1csnn1)CC2 ZINC001754960870 1440717481 /nfs/dbraw/zinc/71/74/81/1440717481.db2.gz ZJLLCHYCDBFIOT-HUUCEWRRSA-N 1 2 348.516 3.126 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CCC[N@@H+](Cc2nc(CCC)no2)CC1 ZINC001755030092 1440731248 /nfs/dbraw/zinc/73/12/48/1440731248.db2.gz URWHLIIDJAIWEG-HNAYVOBHSA-N 1 2 348.491 3.095 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CCC[N@H+](Cc2nc(CCC)no2)CC1 ZINC001755030092 1440731249 /nfs/dbraw/zinc/73/12/49/1440731249.db2.gz URWHLIIDJAIWEG-HNAYVOBHSA-N 1 2 348.491 3.095 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@]2(CC[N@@H+]([C@H](C)c3csnn3)C2)C1 ZINC001755078003 1440749730 /nfs/dbraw/zinc/74/97/30/1440749730.db2.gz GYCXZCFSOYJOAS-CRAIPNDOSA-N 1 2 348.516 3.270 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@]2(CC[N@H+]([C@H](C)c3csnn3)C2)C1 ZINC001755078003 1440749731 /nfs/dbraw/zinc/74/97/31/1440749731.db2.gz GYCXZCFSOYJOAS-CRAIPNDOSA-N 1 2 348.516 3.270 20 30 EGEDLO CC(C)=CC(=O)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@H](C)C1 ZINC001755157744 1440763501 /nfs/dbraw/zinc/76/35/01/1440763501.db2.gz MCYUPEACJHDAAL-RDTXWAMCSA-N 1 2 329.419 3.133 20 30 EGEDLO CC(C)=CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@H](C)C1 ZINC001755157744 1440763502 /nfs/dbraw/zinc/76/35/02/1440763502.db2.gz MCYUPEACJHDAAL-RDTXWAMCSA-N 1 2 329.419 3.133 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@@H]2C[N@@H+](C)[C@H](C)c2nc(C)no2)CCC1 ZINC001755198842 1440778548 /nfs/dbraw/zinc/77/85/48/1440778548.db2.gz JBAMSZZZCDUNAR-GDBMZVCRSA-N 1 2 346.475 3.108 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@@H]2C[N@H+](C)[C@H](C)c2nc(C)no2)CCC1 ZINC001755198842 1440778549 /nfs/dbraw/zinc/77/85/49/1440778549.db2.gz JBAMSZZZCDUNAR-GDBMZVCRSA-N 1 2 346.475 3.108 20 30 EGEDLO C=CC1(CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2nnc(CC)o2)CCCCC1 ZINC001755257784 1440793761 /nfs/dbraw/zinc/79/37/61/1440793761.db2.gz VEGBCPWSKNWNHS-CABCVRRESA-N 1 2 348.491 3.141 20 30 EGEDLO C=CCCC(=O)NC[C@H](C)[N@H+](C)Cc1cc(-c2ccccc2)on1 ZINC001755295021 1440806030 /nfs/dbraw/zinc/80/60/30/1440806030.db2.gz OVPAEBBOFYMLRU-HNNXBMFYSA-N 1 2 327.428 3.244 20 30 EGEDLO C=CCCC(=O)NC[C@H](C)[N@@H+](C)Cc1cc(-c2ccccc2)on1 ZINC001755295021 1440806031 /nfs/dbraw/zinc/80/60/31/1440806031.db2.gz OVPAEBBOFYMLRU-HNNXBMFYSA-N 1 2 327.428 3.244 20 30 EGEDLO C=CCC1(C(=O)N[C@H](C)C2C[NH+](Cc3cccc(Cl)n3)C2)CCC1 ZINC001755381623 1440839419 /nfs/dbraw/zinc/83/94/19/1440839419.db2.gz JOMASCOEUATYEE-CQSZACIVSA-N 1 2 347.890 3.418 20 30 EGEDLO C[C@@H](NC(=O)CC1CCC1)C1C[NH+](CC#Cc2ccccc2Cl)C1 ZINC001755385183 1440840496 /nfs/dbraw/zinc/84/04/96/1440840496.db2.gz SPLCXRUSXBCHRU-OAHLLOKOSA-N 1 2 344.886 3.318 20 30 EGEDLO C=CCC1(C(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)c2nc(C)no2)CCCCC1 ZINC001755618017 1440889547 /nfs/dbraw/zinc/88/95/47/1440889547.db2.gz HRRZTYSSAXJDLF-CABCVRRESA-N 1 2 348.491 3.402 20 30 EGEDLO C=CCC(CC=C)C(=O)N1C[C@@H]([NH2+]Cc2nnc(C(C)C)o2)C[C@H]1C ZINC001755677478 1440894777 /nfs/dbraw/zinc/89/47/77/1440894777.db2.gz YHMJFPHIQABAAN-ZBFHGGJFSA-N 1 2 346.475 3.040 20 30 EGEDLO CCc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000023701072 202107013 /nfs/dbraw/zinc/10/70/13/202107013.db2.gz YYETTZKEPQLWNS-UHFFFAOYSA-N 1 2 333.435 3.079 20 30 EGEDLO Cc1nc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)oc1C ZINC000130817675 223178795 /nfs/dbraw/zinc/17/87/95/223178795.db2.gz FABLDEIEMUGEHD-UHFFFAOYSA-N 1 2 347.422 3.034 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000189888182 201049082 /nfs/dbraw/zinc/04/90/82/201049082.db2.gz HKYSSOBWADTUQR-IBGZPJMESA-N 1 2 334.435 3.081 20 30 EGEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000266881657 201221910 /nfs/dbraw/zinc/22/19/10/201221910.db2.gz XRMKZDFWJPVRFC-KRWDZBQOSA-N 1 2 326.444 3.056 20 30 EGEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000266881657 201221912 /nfs/dbraw/zinc/22/19/12/201221912.db2.gz XRMKZDFWJPVRFC-KRWDZBQOSA-N 1 2 326.444 3.056 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000273536153 201259497 /nfs/dbraw/zinc/25/94/97/201259497.db2.gz UTEMAYGBXBVBFH-DLBZAZTESA-N 1 2 334.460 3.172 20 30 EGEDLO C=CCCCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000274461316 201268714 /nfs/dbraw/zinc/26/87/14/201268714.db2.gz BXLQOUHBXDLNPT-INIZCTEOSA-N 1 2 330.407 3.304 20 30 EGEDLO C=CCCCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000274461318 201269672 /nfs/dbraw/zinc/26/96/72/201269672.db2.gz BXLQOUHBXDLNPT-MRXNPFEDSA-N 1 2 330.407 3.304 20 30 EGEDLO C=C(C)C[N@H+](Cc1cn(Cc2cccnc2)nn1)Cc1ccccc1 ZINC000279628788 201319135 /nfs/dbraw/zinc/31/91/35/201319135.db2.gz HQPUGXRNHLNIHY-UHFFFAOYSA-N 1 2 333.439 3.300 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cn(Cc2cccnc2)nn1)Cc1ccccc1 ZINC000279628788 201319138 /nfs/dbraw/zinc/31/91/38/201319138.db2.gz HQPUGXRNHLNIHY-UHFFFAOYSA-N 1 2 333.439 3.300 20 30 EGEDLO C#CCOc1cc(F)ccc1NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000083812702 201367136 /nfs/dbraw/zinc/36/71/36/201367136.db2.gz HXAMCMNFIHEZBD-OAHLLOKOSA-N 1 2 342.374 3.320 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(c2ccncc2)CC1 ZINC000191650071 239234661 /nfs/dbraw/zinc/23/46/61/239234661.db2.gz XMIUAGMXRAQQFG-LJQANCHMSA-N 1 2 335.407 3.047 20 30 EGEDLO N#Cc1ccc(Br)c(C[NH2+][C@H](CCO)c2ccco2)c1 ZINC000191839449 239331638 /nfs/dbraw/zinc/33/16/38/239331638.db2.gz QXYRTBJGPWFZJH-CQSZACIVSA-N 1 2 335.201 3.127 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(F)(F)F)C2)c(C#N)c1C ZINC000193195560 240057452 /nfs/dbraw/zinc/05/74/52/240057452.db2.gz QHCRHSPWEIJCPR-PWSUYJOCSA-N 1 2 343.349 3.369 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C(F)(F)F)C2)c(C#N)c1C ZINC000193195560 240057458 /nfs/dbraw/zinc/05/74/58/240057458.db2.gz QHCRHSPWEIJCPR-PWSUYJOCSA-N 1 2 343.349 3.369 20 30 EGEDLO N#Cc1c(Cl)nsc1N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000069622845 203029394 /nfs/dbraw/zinc/02/93/94/203029394.db2.gz QKBVFTOBCHAFPM-AWEZNQCLSA-N 1 2 348.859 3.154 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCC(C(F)(F)F)CC3)o2)cc1 ZINC000075969209 203329054 /nfs/dbraw/zinc/32/90/54/203329054.db2.gz AHKZSIRMWWDXRA-UHFFFAOYSA-N 1 2 336.317 3.383 20 30 EGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)Cn2cc[nH+]c2)c1C#N ZINC000012525222 291538480 /nfs/dbraw/zinc/53/84/80/291538480.db2.gz VFHQBOSSYASAIK-UHFFFAOYSA-N 1 2 325.416 3.317 20 30 EGEDLO CC(C)Oc1ccc(NC(=O)N(C)CCCn2cc[nH+]c2)cc1C#N ZINC000157857831 206158536 /nfs/dbraw/zinc/15/85/36/206158536.db2.gz JYFNTVRUXHCYEK-UHFFFAOYSA-N 1 2 341.415 3.096 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000160971165 206321516 /nfs/dbraw/zinc/32/15/16/206321516.db2.gz GNCSWCGSSABROR-OAHLLOKOSA-N 1 2 333.407 3.186 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000160971165 206321521 /nfs/dbraw/zinc/32/15/21/206321521.db2.gz GNCSWCGSSABROR-OAHLLOKOSA-N 1 2 333.407 3.186 20 30 EGEDLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268682487 252136020 /nfs/dbraw/zinc/13/60/20/252136020.db2.gz MTGPIIFPMISULW-GFCCVEGCSA-N 1 2 341.358 3.199 20 30 EGEDLO C[N@H+](Cc1nc(C(F)(F)F)cs1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268682487 252136023 /nfs/dbraw/zinc/13/60/23/252136023.db2.gz MTGPIIFPMISULW-GFCCVEGCSA-N 1 2 341.358 3.199 20 30 EGEDLO COc1cccc(C2=CC[N@H+](CC(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC000350627758 141257048 /nfs/dbraw/zinc/25/70/48/141257048.db2.gz SWFJKWBQZFLFOE-UHFFFAOYSA-N 1 2 347.418 3.295 20 30 EGEDLO COc1cccc(C2=CC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC000350627758 141257049 /nfs/dbraw/zinc/25/70/49/141257049.db2.gz SWFJKWBQZFLFOE-UHFFFAOYSA-N 1 2 347.418 3.295 20 30 EGEDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000172192626 144017528 /nfs/dbraw/zinc/01/75/28/144017528.db2.gz CZPNNHNBMKAXHD-IBGZPJMESA-N 1 2 349.434 3.478 20 30 EGEDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000172192626 144017530 /nfs/dbraw/zinc/01/75/30/144017530.db2.gz CZPNNHNBMKAXHD-IBGZPJMESA-N 1 2 349.434 3.478 20 30 EGEDLO N#Cc1cc(F)c(CNc2ccc(Cn3cc[nH+]c3)cn2)c(F)c1 ZINC000351562927 144279733 /nfs/dbraw/zinc/27/97/33/144279733.db2.gz DKBILWYXNDWIAN-UHFFFAOYSA-N 1 2 325.322 3.088 20 30 EGEDLO COCC#CC[N@@H+]1CCC[C@@H]1c1cc(Br)ccc1OC ZINC000677818682 549336980 /nfs/dbraw/zinc/33/69/80/549336980.db2.gz TXVMUDHMKVLTJE-OAHLLOKOSA-N 1 2 338.245 3.244 20 30 EGEDLO COCC#CC[N@H+]1CCC[C@@H]1c1cc(Br)ccc1OC ZINC000677818682 549336983 /nfs/dbraw/zinc/33/69/83/549336983.db2.gz TXVMUDHMKVLTJE-OAHLLOKOSA-N 1 2 338.245 3.244 20 30 EGEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000191850397 153225912 /nfs/dbraw/zinc/22/59/12/153225912.db2.gz HUESJINWXKCKJT-ZDUSSCGKSA-N 1 2 346.427 3.294 20 30 EGEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000191850397 153225915 /nfs/dbraw/zinc/22/59/15/153225915.db2.gz HUESJINWXKCKJT-ZDUSSCGKSA-N 1 2 346.427 3.294 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)cc1F ZINC000191903918 153229064 /nfs/dbraw/zinc/22/90/64/153229064.db2.gz OEVDGGNFYSRCOY-UHFFFAOYSA-N 1 2 337.398 3.045 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)cc1F ZINC000191903918 153229068 /nfs/dbraw/zinc/22/90/68/153229068.db2.gz OEVDGGNFYSRCOY-UHFFFAOYSA-N 1 2 337.398 3.045 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccnc2)cc1Cl ZINC000346975861 156226305 /nfs/dbraw/zinc/22/63/05/156226305.db2.gz JZHPIFVLWOCOTL-KRWDZBQOSA-N 1 2 340.814 3.382 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccnc2)cc1Cl ZINC000346975861 156226306 /nfs/dbraw/zinc/22/63/06/156226306.db2.gz JZHPIFVLWOCOTL-KRWDZBQOSA-N 1 2 340.814 3.382 20 30 EGEDLO CC(C)c1noc([C@@H](C)[N@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344101416 164103001 /nfs/dbraw/zinc/10/30/01/164103001.db2.gz DOHILXZQSKWFTO-CQSZACIVSA-N 1 2 328.416 3.274 20 30 EGEDLO CC(C)c1noc([C@@H](C)[N@@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344101416 164103003 /nfs/dbraw/zinc/10/30/03/164103003.db2.gz DOHILXZQSKWFTO-CQSZACIVSA-N 1 2 328.416 3.274 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)C1CC1 ZINC000350192291 165018677 /nfs/dbraw/zinc/01/86/77/165018677.db2.gz QOBUEKAWEJVGLP-CQSZACIVSA-N 1 2 329.791 3.218 20 30 EGEDLO N#Cc1ccc(C[NH2+][C@@H]2COc3cc(F)c(Br)cc32)o1 ZINC000367261012 168200110 /nfs/dbraw/zinc/20/01/10/168200110.db2.gz VHPAFHUODCUMCN-CYBMUJFWSA-N 1 2 337.148 3.276 20 30 EGEDLO Cc1cc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c(C#N)c[nH+]1 ZINC000425252514 269914343 /nfs/dbraw/zinc/91/43/43/269914343.db2.gz ZRTLCIIACGROFQ-CYBMUJFWSA-N 1 2 335.333 3.319 20 30 EGEDLO Cc1[nH+]c2cc(NC(=O)c3ncc(C#N)cc3Cl)ccc2n1C ZINC000532716015 269924559 /nfs/dbraw/zinc/92/45/59/269924559.db2.gz DIDGTCHGNQWQHC-UHFFFAOYSA-N 1 2 325.759 3.054 20 30 EGEDLO N#Cc1ccc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)s1 ZINC000486832986 269958147 /nfs/dbraw/zinc/95/81/47/269958147.db2.gz IYCVNCZEAKPPTB-DAXSKMNVSA-N 1 2 337.448 3.091 20 30 EGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000184366278 267004881 /nfs/dbraw/zinc/00/48/81/267004881.db2.gz UXBYUPSTQZFJCE-LBPRGKRZSA-N 1 2 331.466 3.200 20 30 EGEDLO C[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CCC1(F)F ZINC000290005359 267047703 /nfs/dbraw/zinc/04/77/03/267047703.db2.gz ZJSFUGDNLNXCIQ-SNVBAGLBSA-N 1 2 327.762 3.127 20 30 EGEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CCC1(F)F ZINC000290005359 267047706 /nfs/dbraw/zinc/04/77/06/267047706.db2.gz ZJSFUGDNLNXCIQ-SNVBAGLBSA-N 1 2 327.762 3.127 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000292543360 267142176 /nfs/dbraw/zinc/14/21/76/267142176.db2.gz XXWRKWSGVLBOQL-LSDHHAIUSA-N 1 2 335.407 3.168 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000292543360 267142181 /nfs/dbraw/zinc/14/21/81/267142181.db2.gz XXWRKWSGVLBOQL-LSDHHAIUSA-N 1 2 335.407 3.168 20 30 EGEDLO CCc1cc(CCC[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)on1 ZINC000450641352 267245110 /nfs/dbraw/zinc/24/51/10/267245110.db2.gz ZRVSFJRKCFVVPH-IBGZPJMESA-N 1 2 325.412 3.115 20 30 EGEDLO CCc1cc(CCC[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)on1 ZINC000450641352 267245111 /nfs/dbraw/zinc/24/51/11/267245111.db2.gz ZRVSFJRKCFVVPH-IBGZPJMESA-N 1 2 325.412 3.115 20 30 EGEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000454308560 267258980 /nfs/dbraw/zinc/25/89/80/267258980.db2.gz AQQUIKMVJCDEOV-LBPRGKRZSA-N 1 2 328.420 3.214 20 30 EGEDLO C[N@H+](Cc1cc(C#N)ccc1Br)[C@@H](CO)c1ccccc1 ZINC000492402790 267311690 /nfs/dbraw/zinc/31/16/90/267311690.db2.gz YQPCVUDFSMTGJD-KRWDZBQOSA-N 1 2 345.240 3.486 20 30 EGEDLO C[N@@H+](Cc1cc(C#N)ccc1Br)[C@@H](CO)c1ccccc1 ZINC000492402790 267311692 /nfs/dbraw/zinc/31/16/92/267311692.db2.gz YQPCVUDFSMTGJD-KRWDZBQOSA-N 1 2 345.240 3.486 20 30 EGEDLO Cc1cc(C[NH+]2CCN(c3c(C#N)cnc4ccc(C)cc43)CC2)on1 ZINC000291662421 267325318 /nfs/dbraw/zinc/32/53/18/267325318.db2.gz OXTZEZLCBHGTAG-UHFFFAOYSA-N 1 2 347.422 3.034 20 30 EGEDLO Cc1ccc2[nH+]c(CNC(=O)N(C)[C@@H](C)c3cccc(C#N)c3)cn2c1 ZINC000425665312 268047761 /nfs/dbraw/zinc/04/77/61/268047761.db2.gz WJFUBDYJDULEHL-HNNXBMFYSA-N 1 2 347.422 3.417 20 30 EGEDLO N#Cc1ccc(CN(CC[NH+]2CCOCC2)c2ccccc2)c(F)c1 ZINC000174689388 268063288 /nfs/dbraw/zinc/06/32/88/268063288.db2.gz KKRBJZHZFIKBDA-UHFFFAOYSA-N 1 2 339.414 3.036 20 30 EGEDLO N#Cc1ccc(NCc2ccc(N3CCCCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC000290598046 268157284 /nfs/dbraw/zinc/15/72/84/268157284.db2.gz YLXDIDCAXKCZRH-UHFFFAOYSA-N 1 2 337.383 3.464 20 30 EGEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(F)c(F)cc3F)C2)nc1 ZINC000292707445 268185195 /nfs/dbraw/zinc/18/51/95/268185195.db2.gz CZCCSVYTQKZDIR-ZDUSSCGKSA-N 1 2 333.313 3.024 20 30 EGEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(F)c(F)cc3F)C2)nc1 ZINC000292707445 268185197 /nfs/dbraw/zinc/18/51/97/268185197.db2.gz CZCCSVYTQKZDIR-ZDUSSCGKSA-N 1 2 333.313 3.024 20 30 EGEDLO N#Cc1cc(Oc2ccc(NC(=O)C=Cc3c[nH]c[nH+]3)cc2)ccn1 ZINC000493016563 268190119 /nfs/dbraw/zinc/19/01/19/268190119.db2.gz MBUUAYNVDMRSPE-UTCJRWHESA-N 1 2 331.335 3.121 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](C/C=C\c3ccncc3)CC2)c(Cl)c1 ZINC000425975876 268234648 /nfs/dbraw/zinc/23/46/48/268234648.db2.gz DAUBIXQEKQNBSE-UPHRSURJSA-N 1 2 338.842 3.442 20 30 EGEDLO N#Cc1cccc(OC2CC[NH+](Cc3cc(F)ncc3F)CC2)c1 ZINC000295005390 268271075 /nfs/dbraw/zinc/27/10/75/268271075.db2.gz YZTNWEJLGWAOQY-UHFFFAOYSA-N 1 2 329.350 3.275 20 30 EGEDLO N#Cc1ccnc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)c1[N+](=O)[O-] ZINC000301656549 268290841 /nfs/dbraw/zinc/29/08/41/268290841.db2.gz RXXISFMIYQHGQG-UHFFFAOYSA-N 1 2 348.366 3.122 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)[C@@H]2C1 ZINC000496388022 269590137 /nfs/dbraw/zinc/59/01/37/269590137.db2.gz QWZKDKMQRTZEGB-NVXWUHKLSA-N 1 2 345.418 3.139 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)[C@@H]2C1 ZINC000496388022 269590139 /nfs/dbraw/zinc/59/01/39/269590139.db2.gz QWZKDKMQRTZEGB-NVXWUHKLSA-N 1 2 345.418 3.139 20 30 EGEDLO CC[N@H+](Cc1nnnn1-c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741043 275126965 /nfs/dbraw/zinc/12/69/65/275126965.db2.gz REWMGUQWNNXEHG-HNNXBMFYSA-N 1 2 332.411 3.117 20 30 EGEDLO CC[N@@H+](Cc1nnnn1-c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741043 275126966 /nfs/dbraw/zinc/12/69/66/275126966.db2.gz REWMGUQWNNXEHG-HNNXBMFYSA-N 1 2 332.411 3.117 20 30 EGEDLO CC[N@H+](Cc1ccc(Cl)cc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000343569105 276140868 /nfs/dbraw/zinc/14/08/68/276140868.db2.gz QBWKEGCCTNYJNH-QGZVFWFLSA-N 1 2 327.815 3.260 20 30 EGEDLO CC[N@@H+](Cc1ccc(Cl)cc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000343569105 276140869 /nfs/dbraw/zinc/14/08/69/276140869.db2.gz QBWKEGCCTNYJNH-QGZVFWFLSA-N 1 2 327.815 3.260 20 30 EGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1c(Cl)cccc1Cl ZINC000078681316 454298642 /nfs/dbraw/zinc/29/86/42/454298642.db2.gz HNYOSAGBHAQBKJ-UHFFFAOYSA-N 1 2 342.270 3.041 20 30 EGEDLO COC(=O)c1cccc(C[NH2+]C(C)(C)c2nc(C)cs2)c1C#N ZINC000535964224 314086008 /nfs/dbraw/zinc/08/60/08/314086008.db2.gz OXSBEDCHGXEOKF-UHFFFAOYSA-N 1 2 329.425 3.135 20 30 EGEDLO N#Cc1cc(C(=O)NCCCCNc2cccc[nH+]2)ccc1Cl ZINC000537583876 314191005 /nfs/dbraw/zinc/19/10/05/314191005.db2.gz UCFKLILJDDOEDX-UHFFFAOYSA-N 1 2 328.803 3.229 20 30 EGEDLO C[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1c(F)cccc1Cl ZINC000540477870 314383081 /nfs/dbraw/zinc/38/30/81/314383081.db2.gz XCQSEVMJEAKPFX-LBPRGKRZSA-N 1 2 345.805 3.318 20 30 EGEDLO CCOC(=O)c1sc([C@H](C)[NH2+]Cc2ccc(C#N)s2)nc1C ZINC000570525579 317069126 /nfs/dbraw/zinc/06/91/26/317069126.db2.gz QJOFTURIEUFFJH-JTQLQIEISA-N 1 2 335.454 3.412 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CCCc2cc(C#N)ccc21)C1CC1 ZINC000572616670 317366048 /nfs/dbraw/zinc/36/60/48/317366048.db2.gz XHVLWJBYXMZZPU-ZWKOTPCHSA-N 1 2 349.438 3.120 20 30 EGEDLO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000171629379 323243672 /nfs/dbraw/zinc/24/36/72/323243672.db2.gz CEAQBWRZWITTSV-AWEZNQCLSA-N 1 2 332.407 3.378 20 30 EGEDLO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000171629379 323243679 /nfs/dbraw/zinc/24/36/79/323243679.db2.gz CEAQBWRZWITTSV-AWEZNQCLSA-N 1 2 332.407 3.378 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c(C#N)c1C ZINC000178738920 323360015 /nfs/dbraw/zinc/36/00/15/323360015.db2.gz PVJZKZUTLVCRDW-UHFFFAOYSA-N 1 2 348.406 3.243 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c(C#N)c1C ZINC000178738920 323360017 /nfs/dbraw/zinc/36/00/17/323360017.db2.gz PVJZKZUTLVCRDW-UHFFFAOYSA-N 1 2 348.406 3.243 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2ccc(C#N)c(Cl)c2)CC1(C)C ZINC000578413376 324964770 /nfs/dbraw/zinc/96/47/70/324964770.db2.gz AMRDUMPWDGKRHE-AWEZNQCLSA-N 1 2 328.803 3.168 20 30 EGEDLO CC(C)(C)OC(=O)C[N@H+](Cc1ccc(F)c(C#N)c1)C1CCOCC1 ZINC000579236590 325081709 /nfs/dbraw/zinc/08/17/09/325081709.db2.gz CQKPTAAFOPPBPB-UHFFFAOYSA-N 1 2 348.418 3.020 20 30 EGEDLO CC(C)(C)OC(=O)C[N@@H+](Cc1ccc(F)c(C#N)c1)C1CCOCC1 ZINC000579236590 325081712 /nfs/dbraw/zinc/08/17/12/325081712.db2.gz CQKPTAAFOPPBPB-UHFFFAOYSA-N 1 2 348.418 3.020 20 30 EGEDLO Cc1cc(C(=O)NCC[N@@H+]2CCOCC2(C)C)c(C(F)(F)F)o1 ZINC000331020508 457122029 /nfs/dbraw/zinc/12/20/29/457122029.db2.gz ORJHQVZHXHGMIK-UHFFFAOYSA-N 1 2 334.338 3.022 20 30 EGEDLO Cc1cc(C(=O)NCC[N@H+]2CCOCC2(C)C)c(C(F)(F)F)o1 ZINC000331020508 457122038 /nfs/dbraw/zinc/12/20/38/457122038.db2.gz ORJHQVZHXHGMIK-UHFFFAOYSA-N 1 2 334.338 3.022 20 30 EGEDLO N#CCC1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000397138950 457484687 /nfs/dbraw/zinc/48/46/87/457484687.db2.gz IGGUEVURGUZDIF-UHFFFAOYSA-N 1 2 338.205 3.483 20 30 EGEDLO C=CCn1cc(C[NH2+][C@@H]2CCc3sc(Br)cc32)nn1 ZINC000424299461 458608895 /nfs/dbraw/zinc/60/88/95/458608895.db2.gz VGULZRJYKUQAJM-LLVKDONJSA-N 1 2 339.262 3.065 20 30 EGEDLO CCc1nc(CN2CC[NH+](CC#Cc3ccc(F)cc3)CC2)cs1 ZINC000157873514 455242202 /nfs/dbraw/zinc/24/22/02/455242202.db2.gz YWMSDEFYZCXUAQ-UHFFFAOYSA-N 1 2 343.471 3.014 20 30 EGEDLO C[C@@]1(C#N)CCC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000612167338 460559564 /nfs/dbraw/zinc/55/95/64/460559564.db2.gz MHFUEVVQYYEURL-WBMJQRKESA-N 1 2 343.254 3.359 20 30 EGEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000612167338 460559570 /nfs/dbraw/zinc/55/95/70/460559570.db2.gz MHFUEVVQYYEURL-WBMJQRKESA-N 1 2 343.254 3.359 20 30 EGEDLO N#Cc1cccc(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)c1 ZINC000025416199 453770741 /nfs/dbraw/zinc/77/07/41/453770741.db2.gz BFOPJPBDPGKRMM-NRFANRHFSA-N 1 2 342.402 3.271 20 30 EGEDLO Cc1ccccc1N1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000025411598 453771010 /nfs/dbraw/zinc/77/10/10/453771010.db2.gz LKRUCDPRFWINCW-KRWDZBQOSA-N 1 2 348.450 3.016 20 30 EGEDLO N#Cc1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000025416712 453771324 /nfs/dbraw/zinc/77/13/24/453771324.db2.gz CIRSYWWBUBRXSC-NRFANRHFSA-N 1 2 342.402 3.271 20 30 EGEDLO C[N@H+](CC(=O)Nc1ccc(F)cc1Cl)Cc1cccc(C#N)c1 ZINC000026323265 453796477 /nfs/dbraw/zinc/79/64/77/453796477.db2.gz HNAJVNRCTGZZOV-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO C[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)Cc1cccc(C#N)c1 ZINC000026323265 453796480 /nfs/dbraw/zinc/79/64/80/453796480.db2.gz HNAJVNRCTGZZOV-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO C[N@H+](CC(=O)Nc1ccc(OC(F)F)cc1)Cc1cccc(C#N)c1 ZINC000026324040 453796605 /nfs/dbraw/zinc/79/66/05/453796605.db2.gz XTDHCCBYXWENCE-UHFFFAOYSA-N 1 2 345.349 3.230 20 30 EGEDLO C[N@@H+](CC(=O)Nc1ccc(OC(F)F)cc1)Cc1cccc(C#N)c1 ZINC000026324040 453796606 /nfs/dbraw/zinc/79/66/06/453796606.db2.gz XTDHCCBYXWENCE-UHFFFAOYSA-N 1 2 345.349 3.230 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C(=O)OC)cc1)Cc1ccccc1 ZINC000027775442 453820437 /nfs/dbraw/zinc/82/04/37/453820437.db2.gz ZLOQBAJRJZVIMY-UHFFFAOYSA-N 1 2 338.407 3.100 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccc(C(=O)OC)cc1)Cc1ccccc1 ZINC000027775442 453820438 /nfs/dbraw/zinc/82/04/38/453820438.db2.gz ZLOQBAJRJZVIMY-UHFFFAOYSA-N 1 2 338.407 3.100 20 30 EGEDLO N#CCN1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000052685827 453841376 /nfs/dbraw/zinc/84/13/76/453841376.db2.gz ASEPHMNFMNWRBK-UHFFFAOYSA-N 1 2 327.378 3.195 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081514640 453880028 /nfs/dbraw/zinc/88/00/28/453880028.db2.gz QYJKWLJXWGSOJK-AWEZNQCLSA-N 1 2 333.863 3.485 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081514640 453880031 /nfs/dbraw/zinc/88/00/31/453880031.db2.gz QYJKWLJXWGSOJK-AWEZNQCLSA-N 1 2 333.863 3.485 20 30 EGEDLO N#CCc1cccc(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000053510453 453883631 /nfs/dbraw/zinc/88/36/31/453883631.db2.gz BHVPCZFJQCCIIR-UHFFFAOYSA-N 1 2 334.423 3.068 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(C#N)cs1)c1ccc(F)cc1 ZINC000084072750 453967690 /nfs/dbraw/zinc/96/76/90/453967690.db2.gz ZURYMJPMZMYOJC-OAHLLOKOSA-N 1 2 340.383 3.012 20 30 EGEDLO C[C@@H](NC(=O)NCc1ccc(N2CCCC2)[nH+]c1)c1ccc(C#N)cc1 ZINC000042324818 454006856 /nfs/dbraw/zinc/00/68/56/454006856.db2.gz XSDPMQFQIYDQKU-OAHLLOKOSA-N 1 2 349.438 3.114 20 30 EGEDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@H](C#N)c1ccccc1F ZINC000076645574 454021702 /nfs/dbraw/zinc/02/17/02/454021702.db2.gz LHDFVAUFKPHCDM-MRXNPFEDSA-N 1 2 336.370 3.119 20 30 EGEDLO N#CCCC[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000055928344 454026649 /nfs/dbraw/zinc/02/66/49/454026649.db2.gz UXIIVQKTIGHMIF-UHFFFAOYSA-N 1 2 326.227 3.055 20 30 EGEDLO N#Cc1nnc2ccccc2c1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000077191547 454072818 /nfs/dbraw/zinc/07/28/18/454072818.db2.gz NZQCPAYSBUJAQJ-UHFFFAOYSA-N 1 2 344.422 3.499 20 30 EGEDLO C=CCOc1cccc(NC(=O)N2CC[NH+](Cc3ccco3)CC2)c1 ZINC000056772307 454079022 /nfs/dbraw/zinc/07/90/22/454079022.db2.gz FCMSTLZKWGPWNR-UHFFFAOYSA-N 1 2 341.411 3.194 20 30 EGEDLO CCN(CC)c1ccc(CNC(=O)/C=C/c2ccccc2C#N)c[nH+]1 ZINC000057518409 454134073 /nfs/dbraw/zinc/13/40/73/454134073.db2.gz FZEQHFLUVGHYPD-ZRDIBKRKSA-N 1 2 334.423 3.129 20 30 EGEDLO COC(=O)[C@@H]([NH2+]CC1(C)Cc2ccccc2C1)c1cccc(C#N)c1 ZINC000093899853 454178770 /nfs/dbraw/zinc/17/87/70/454178770.db2.gz KUXCFPQTZFTECX-IBGZPJMESA-N 1 2 334.419 3.167 20 30 EGEDLO N#Cc1ccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)nc1 ZINC000095393178 454201356 /nfs/dbraw/zinc/20/13/56/454201356.db2.gz ARCOTAKEQGZIQC-UHFFFAOYSA-N 1 2 343.390 3.405 20 30 EGEDLO O=C(/C=C/c1ccc(F)cc1)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000119818114 454223449 /nfs/dbraw/zinc/22/34/49/454223449.db2.gz IRDLFXVMHXIWIV-XVNBXDOJSA-N 1 2 341.382 3.260 20 30 EGEDLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C#N)c(Cl)c2)on1 ZINC000047273735 454350493 /nfs/dbraw/zinc/35/04/93/454350493.db2.gz OXNQNMZIZXPLFE-OAHLLOKOSA-N 1 2 344.802 3.284 20 30 EGEDLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(C#N)c(Cl)c2)on1 ZINC000047273735 454350496 /nfs/dbraw/zinc/35/04/96/454350496.db2.gz OXNQNMZIZXPLFE-OAHLLOKOSA-N 1 2 344.802 3.284 20 30 EGEDLO Cc1nc(CC(N)=[NH+]OCc2ccc(OC(F)F)cc2)cs1 ZINC000063456783 454414865 /nfs/dbraw/zinc/41/48/65/454414865.db2.gz APQDIHUSWLDMIV-UHFFFAOYSA-N 1 2 327.356 3.084 20 30 EGEDLO Cc1nc(CC(N)=[NH+]OCc2cc(-c3cccs3)on2)cs1 ZINC000063456844 454415390 /nfs/dbraw/zinc/41/53/90/454415390.db2.gz PTOYQGIFXXWAGW-UHFFFAOYSA-N 1 2 334.426 3.200 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000133914499 454481982 /nfs/dbraw/zinc/48/19/82/454481982.db2.gz JGGNSYJGRNZMJZ-UGSOOPFHSA-N 1 2 333.863 3.141 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000133914499 454481985 /nfs/dbraw/zinc/48/19/85/454481985.db2.gz JGGNSYJGRNZMJZ-UGSOOPFHSA-N 1 2 333.863 3.141 20 30 EGEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1csc(C)n1 ZINC000065301788 454550072 /nfs/dbraw/zinc/55/00/72/454550072.db2.gz DTCFOAKVQOYGNN-QGZVFWFLSA-N 1 2 332.469 3.052 20 30 EGEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)Cc1csc(C)n1 ZINC000065301788 454550076 /nfs/dbraw/zinc/55/00/76/454550076.db2.gz DTCFOAKVQOYGNN-QGZVFWFLSA-N 1 2 332.469 3.052 20 30 EGEDLO C[C@H]1C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CC(C)(C)O1 ZINC000065425227 454566155 /nfs/dbraw/zinc/56/61/55/454566155.db2.gz PVKDBDZCJVVLHH-HNNXBMFYSA-N 1 2 339.439 3.237 20 30 EGEDLO C[C@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CC(C)(C)O1 ZINC000065425227 454566157 /nfs/dbraw/zinc/56/61/57/454566157.db2.gz PVKDBDZCJVVLHH-HNNXBMFYSA-N 1 2 339.439 3.237 20 30 EGEDLO CC(C)CO[C@@H](C)c1noc(C[N@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000080626392 454608944 /nfs/dbraw/zinc/60/89/44/454608944.db2.gz DKPLBTFMMLMTGR-AWEZNQCLSA-N 1 2 328.416 3.307 20 30 EGEDLO CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000080626392 454608949 /nfs/dbraw/zinc/60/89/49/454608949.db2.gz DKPLBTFMMLMTGR-AWEZNQCLSA-N 1 2 328.416 3.307 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000051877980 454639709 /nfs/dbraw/zinc/63/97/09/454639709.db2.gz JBHHSFOPDPMTKN-KBPBESRZSA-N 1 2 344.484 3.297 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000051877980 454639714 /nfs/dbraw/zinc/63/97/14/454639714.db2.gz JBHHSFOPDPMTKN-KBPBESRZSA-N 1 2 344.484 3.297 20 30 EGEDLO COCC[N@H+](CCC#N)Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000093100093 454681197 /nfs/dbraw/zinc/68/11/97/454681197.db2.gz VWMFLLPFAWRNBZ-UHFFFAOYSA-N 1 2 334.423 3.388 20 30 EGEDLO COCC[N@@H+](CCC#N)Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000093100093 454681202 /nfs/dbraw/zinc/68/12/02/454681202.db2.gz VWMFLLPFAWRNBZ-UHFFFAOYSA-N 1 2 334.423 3.388 20 30 EGEDLO C=CCOc1ccc(C[N@@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)cc1Cl ZINC000093420175 454714889 /nfs/dbraw/zinc/71/48/89/454714889.db2.gz YETWEKPHJLZJKH-OLZOCXBDSA-N 1 2 345.892 3.158 20 30 EGEDLO C=CCOc1ccc(C[N@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)cc1Cl ZINC000093420175 454714891 /nfs/dbraw/zinc/71/48/91/454714891.db2.gz YETWEKPHJLZJKH-OLZOCXBDSA-N 1 2 345.892 3.158 20 30 EGEDLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000182227684 455465633 /nfs/dbraw/zinc/46/56/33/455465633.db2.gz SWOQDZKCWJFZDZ-UHFFFAOYSA-N 1 2 328.353 3.136 20 30 EGEDLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000182227684 455465638 /nfs/dbraw/zinc/46/56/38/455465638.db2.gz SWOQDZKCWJFZDZ-UHFFFAOYSA-N 1 2 328.353 3.136 20 30 EGEDLO COCC[N@H+](CCC#N)Cc1cc(Br)cc2cccnc21 ZINC000163720895 454861930 /nfs/dbraw/zinc/86/19/30/454861930.db2.gz COBFODYDEKVOTC-UHFFFAOYSA-N 1 2 348.244 3.359 20 30 EGEDLO COCC[N@@H+](CCC#N)Cc1cc(Br)cc2cccnc21 ZINC000163720895 454861934 /nfs/dbraw/zinc/86/19/34/454861934.db2.gz COBFODYDEKVOTC-UHFFFAOYSA-N 1 2 348.244 3.359 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177490526 454869891 /nfs/dbraw/zinc/86/98/91/454869891.db2.gz MMMCWUOZAJKTLU-UHFFFAOYSA-N 1 2 347.484 3.229 20 30 EGEDLO C=CCN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000154660576 454916133 /nfs/dbraw/zinc/91/61/33/454916133.db2.gz HMASLFDBQIKJLU-OAHLLOKOSA-N 1 2 339.842 3.271 20 30 EGEDLO C=CCN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000154660576 454916138 /nfs/dbraw/zinc/91/61/38/454916138.db2.gz HMASLFDBQIKJLU-OAHLLOKOSA-N 1 2 339.842 3.271 20 30 EGEDLO Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000178190957 454941919 /nfs/dbraw/zinc/94/19/19/454941919.db2.gz AWKWBTWIXPAMHU-UHFFFAOYSA-N 1 2 338.392 3.058 20 30 EGEDLO C#CC[N@@H+](Cc1nc(COc2ccc(F)cc2)no1)C1CCCC1 ZINC000154952467 454947287 /nfs/dbraw/zinc/94/72/87/454947287.db2.gz KAOMJKZOZOMEGA-UHFFFAOYSA-N 1 2 329.375 3.166 20 30 EGEDLO C#CC[N@H+](Cc1nc(COc2ccc(F)cc2)no1)C1CCCC1 ZINC000154952467 454947290 /nfs/dbraw/zinc/94/72/90/454947290.db2.gz KAOMJKZOZOMEGA-UHFFFAOYSA-N 1 2 329.375 3.166 20 30 EGEDLO C=CCOc1ccc(C[N@H+](C)Cc2nccn2C(F)F)cc1OC ZINC000155003619 454952525 /nfs/dbraw/zinc/95/25/25/454952525.db2.gz MUUDRJJQYHGJFY-UHFFFAOYSA-N 1 2 337.370 3.484 20 30 EGEDLO C=CCOc1ccc(C[N@@H+](C)Cc2nccn2C(F)F)cc1OC ZINC000155003619 454952528 /nfs/dbraw/zinc/95/25/28/454952528.db2.gz MUUDRJJQYHGJFY-UHFFFAOYSA-N 1 2 337.370 3.484 20 30 EGEDLO COc1cc2c(cc1OC)C[N@H+](CC#Cc1ccc(F)cc1)CC2 ZINC000178681719 454966888 /nfs/dbraw/zinc/96/68/88/454966888.db2.gz XLHNZWCDKVHXRG-UHFFFAOYSA-N 1 2 325.383 3.253 20 30 EGEDLO COc1cc2c(cc1OC)C[N@@H+](CC#Cc1ccc(F)cc1)CC2 ZINC000178681719 454966891 /nfs/dbraw/zinc/96/68/91/454966891.db2.gz XLHNZWCDKVHXRG-UHFFFAOYSA-N 1 2 325.383 3.253 20 30 EGEDLO CC(C)Oc1ccc(NC(=O)NCc2ccn3cc[nH+]c3c2)cc1C#N ZINC000178998516 454997541 /nfs/dbraw/zinc/99/75/41/454997541.db2.gz JXENMBGLWGTJKK-UHFFFAOYSA-N 1 2 349.394 3.315 20 30 EGEDLO N#Cc1ccc(C(F)(F)F)nc1N1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000115516602 455018585 /nfs/dbraw/zinc/01/85/85/455018585.db2.gz ZYKIXCFNHDCEKZ-LBPRGKRZSA-N 1 2 347.344 3.305 20 30 EGEDLO C[N@H+](Cc1ccccc1C(F)(F)F)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115534070 455020246 /nfs/dbraw/zinc/02/02/46/455020246.db2.gz XIQGZZDKEUNCBM-INIZCTEOSA-N 1 2 347.340 3.235 20 30 EGEDLO C[N@@H+](Cc1ccccc1C(F)(F)F)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115534070 455020249 /nfs/dbraw/zinc/02/02/49/455020249.db2.gz XIQGZZDKEUNCBM-INIZCTEOSA-N 1 2 347.340 3.235 20 30 EGEDLO C[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)CCN1CC(F)(F)F ZINC000128193039 455033361 /nfs/dbraw/zinc/03/33/61/455033361.db2.gz YXKLJFRNQALNKG-ZDUSSCGKSA-N 1 2 330.781 3.260 20 30 EGEDLO C[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CCN1CC(F)(F)F ZINC000128193039 455033364 /nfs/dbraw/zinc/03/33/64/455033364.db2.gz YXKLJFRNQALNKG-ZDUSSCGKSA-N 1 2 330.781 3.260 20 30 EGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000179557954 455057881 /nfs/dbraw/zinc/05/78/81/455057881.db2.gz KCDNRMHJYGDGKY-QGZVFWFLSA-N 1 2 328.437 3.226 20 30 EGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000179557954 455057883 /nfs/dbraw/zinc/05/78/83/455057883.db2.gz KCDNRMHJYGDGKY-QGZVFWFLSA-N 1 2 328.437 3.226 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000152210636 455087812 /nfs/dbraw/zinc/08/78/12/455087812.db2.gz PQTHBNDWYHJHGN-CQSZACIVSA-N 1 2 325.391 3.072 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000152210636 455087817 /nfs/dbraw/zinc/08/78/17/455087817.db2.gz PQTHBNDWYHJHGN-CQSZACIVSA-N 1 2 325.391 3.072 20 30 EGEDLO CC(C)(C#N)C[NH2+]Cc1ncc(Br)cc1Br ZINC000129167687 455100965 /nfs/dbraw/zinc/10/09/65/455100965.db2.gz AQAXQLDLTAHAAB-UHFFFAOYSA-N 1 2 347.054 3.246 20 30 EGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000180051244 455123889 /nfs/dbraw/zinc/12/38/89/455123889.db2.gz XCMXFFKDAFVSTP-HIFRSBDPSA-N 1 2 339.399 3.460 20 30 EGEDLO C#CCCCNC(=O)N1CCC(n2c(CC)[nH+]c3ccccc32)CC1 ZINC000180353998 455160632 /nfs/dbraw/zinc/16/06/32/455160632.db2.gz XOKSVPFHGBNCQZ-UHFFFAOYSA-N 1 2 338.455 3.359 20 30 EGEDLO C=CCn1c(SCCCn2cc[nH+]c2)nnc1-c1ccoc1C ZINC000180430045 455168122 /nfs/dbraw/zinc/16/81/22/455168122.db2.gz IZFUKRAVAWVYQK-UHFFFAOYSA-N 1 2 329.429 3.411 20 30 EGEDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(C[C@@H](C#N)CCC#N)CC1 ZINC000264162416 455193961 /nfs/dbraw/zinc/19/39/61/455193961.db2.gz WIMXEAZTQUBYBD-HUUCEWRRSA-N 1 2 332.398 3.087 20 30 EGEDLO COc1ccc(C[NH2+]C(C)(C)c2noc(C)n2)cc1OCCCC#N ZINC000264403148 455206532 /nfs/dbraw/zinc/20/65/32/455206532.db2.gz OOVUDGLAMQIRNK-UHFFFAOYSA-N 1 2 344.415 3.094 20 30 EGEDLO N#CC1CC[NH+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000181040420 455279648 /nfs/dbraw/zinc/27/96/48/455279648.db2.gz DBYMPHACMAGBIU-HNNXBMFYSA-N 1 2 338.238 3.334 20 30 EGEDLO C=CCNC(=O)C[NH2+][C@@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000181161874 455296816 /nfs/dbraw/zinc/29/68/16/455296816.db2.gz FAXVIALDYNUPCE-IBGZPJMESA-N 1 2 344.842 3.330 20 30 EGEDLO C=CCCC[C@H](C)NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000181391902 455328087 /nfs/dbraw/zinc/32/80/87/455328087.db2.gz AHTMAMPACBCRBL-DLBZAZTESA-N 1 2 330.476 3.215 20 30 EGEDLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccc(C#N)cc3)n2)c1 ZINC000174657209 455409419 /nfs/dbraw/zinc/40/94/19/455409419.db2.gz LDCCEVHHNVABND-ZDUSSCGKSA-N 1 2 334.379 3.468 20 30 EGEDLO COC[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(C)o1 ZINC000184698678 455430381 /nfs/dbraw/zinc/43/03/81/455430381.db2.gz JNWWOTWEQJIVID-HNNXBMFYSA-N 1 2 347.802 3.029 20 30 EGEDLO CCN(CC)c1ccc(CNC(=O)c2ccc(C#N)c(Cl)c2)c[nH+]1 ZINC000160595567 455478063 /nfs/dbraw/zinc/47/80/63/455478063.db2.gz JBUNAWRRSPLRCM-UHFFFAOYSA-N 1 2 342.830 3.383 20 30 EGEDLO CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+](CCC#N)CC1CC1 ZINC000267039302 455495872 /nfs/dbraw/zinc/49/58/72/455495872.db2.gz CXFIJSPJQVSPMV-SFHVURJKSA-N 1 2 343.471 3.278 20 30 EGEDLO CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000267039302 455495874 /nfs/dbraw/zinc/49/58/74/455495874.db2.gz CXFIJSPJQVSPMV-SFHVURJKSA-N 1 2 343.471 3.278 20 30 EGEDLO C=C(Br)C[NH2+][C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000185124959 455506480 /nfs/dbraw/zinc/50/64/80/455506480.db2.gz DKTHFBWXBQDOBF-JTQLQIEISA-N 1 2 338.205 3.304 20 30 EGEDLO C=CCOc1cccc(C[N@H+]2CCSC[C@H]2c2cnn(C)c2)c1 ZINC000191754895 455517366 /nfs/dbraw/zinc/51/73/66/455517366.db2.gz SERNKPPWZSINGF-SFHVURJKSA-N 1 2 329.469 3.275 20 30 EGEDLO C=CCOc1cccc(C[N@@H+]2CCSC[C@H]2c2cnn(C)c2)c1 ZINC000191754895 455517370 /nfs/dbraw/zinc/51/73/70/455517370.db2.gz SERNKPPWZSINGF-SFHVURJKSA-N 1 2 329.469 3.275 20 30 EGEDLO CCc1nnc(NCc2ccc(N3CCCC3)[nH+]c2)c(C#N)c1CC ZINC000268127339 455596615 /nfs/dbraw/zinc/59/66/15/455596615.db2.gz ASLFTTSARRMSKO-UHFFFAOYSA-N 1 2 336.443 3.080 20 30 EGEDLO CC1(C)CCCN(C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C#N ZINC000277616326 455615242 /nfs/dbraw/zinc/61/52/42/455615242.db2.gz VUENCNDQDSXVBT-AHKGRUIUSA-N 1 2 334.423 3.426 20 30 EGEDLO Cc1nc(C2([NH2+]CCOc3ccc(C#N)cc3)CCCCC2)no1 ZINC000248007346 455669711 /nfs/dbraw/zinc/66/97/11/455669711.db2.gz FAJBBRKAYFIYKN-UHFFFAOYSA-N 1 2 326.400 3.078 20 30 EGEDLO N#CCOc1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000268878036 455717363 /nfs/dbraw/zinc/71/73/63/455717363.db2.gz JNKFHJMYCPUYRE-UHFFFAOYSA-N 1 2 339.414 3.046 20 30 EGEDLO C=CCOCCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000292638903 455718927 /nfs/dbraw/zinc/71/89/27/455718927.db2.gz JEXVNAGASUMDHM-UHFFFAOYSA-N 1 2 344.484 3.158 20 30 EGEDLO N#CCOc1ccc(/C=C/C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000193365337 455756521 /nfs/dbraw/zinc/75/65/21/455756521.db2.gz ZUEVRVYPFNDKCI-RMKNXTFCSA-N 1 2 344.374 3.427 20 30 EGEDLO COc1ccc(C[NH2+]Cc2cc(COC(C)(C)C)on2)cc1C#N ZINC000186424685 455765753 /nfs/dbraw/zinc/76/57/53/455765753.db2.gz MCRCSZMZJQRJBU-UHFFFAOYSA-N 1 2 329.400 3.160 20 30 EGEDLO C[C@H](C#N)C[N@H+](C)C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000293003533 455770566 /nfs/dbraw/zinc/77/05/66/455770566.db2.gz GXFHLTROFKKFRQ-YGRLFVJLSA-N 1 2 345.668 3.401 20 30 EGEDLO C[C@H](C#N)C[N@@H+](C)C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000293003533 455770570 /nfs/dbraw/zinc/77/05/70/455770570.db2.gz GXFHLTROFKKFRQ-YGRLFVJLSA-N 1 2 345.668 3.401 20 30 EGEDLO N#Cc1ccccc1C[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186504602 455782481 /nfs/dbraw/zinc/78/24/81/455782481.db2.gz YEWPCADWOIPKMG-UHFFFAOYSA-N 1 2 328.362 3.320 20 30 EGEDLO N#CCC[N@@H+](CCC(=O)N1CCCc2ccccc21)Cc1ccccn1 ZINC000285063550 455784206 /nfs/dbraw/zinc/78/42/06/455784206.db2.gz ORHZJRUFMKHKEM-UHFFFAOYSA-N 1 2 348.450 3.167 20 30 EGEDLO N#CCC[N@H+](CCC(=O)N1CCCc2ccccc21)Cc1ccccn1 ZINC000285063550 455784211 /nfs/dbraw/zinc/78/42/11/455784211.db2.gz ORHZJRUFMKHKEM-UHFFFAOYSA-N 1 2 348.450 3.167 20 30 EGEDLO Cc1ccc([C@@H]2CSCC[N@H+]2CC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000251451264 455790584 /nfs/dbraw/zinc/79/05/84/455790584.db2.gz CTBXWWBGQLWTCO-PKOBYXMFSA-N 1 2 345.512 3.139 20 30 EGEDLO Cc1ccc([C@@H]2CSCC[N@@H+]2CC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000251451264 455790586 /nfs/dbraw/zinc/79/05/86/455790586.db2.gz CTBXWWBGQLWTCO-PKOBYXMFSA-N 1 2 345.512 3.139 20 30 EGEDLO Cc1ccc([C@H]2CSCC[N@H+]2CC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000251451257 455790744 /nfs/dbraw/zinc/79/07/44/455790744.db2.gz CTBXWWBGQLWTCO-IEBWSBKVSA-N 1 2 345.512 3.139 20 30 EGEDLO Cc1ccc([C@H]2CSCC[N@@H+]2CC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000251451257 455790749 /nfs/dbraw/zinc/79/07/49/455790749.db2.gz CTBXWWBGQLWTCO-IEBWSBKVSA-N 1 2 345.512 3.139 20 30 EGEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2ccccc2OCC#N)c1 ZINC000194206380 455814836 /nfs/dbraw/zinc/81/48/36/455814836.db2.gz QLNUSFPJJBSRRD-UHFFFAOYSA-N 1 2 332.363 3.242 20 30 EGEDLO N#Cc1sc(Nc2ccc([NH+]3CCC(O)CC3)cc2)nc1Cl ZINC000278493980 455837573 /nfs/dbraw/zinc/83/75/73/455837573.db2.gz HTKCZBKCBQULJF-UHFFFAOYSA-N 1 2 334.832 3.373 20 30 EGEDLO CCC(CC)n1ccc(CO[NH+]=C(N)c2ccc(OC)c(OC)c2)n1 ZINC000269353322 455842015 /nfs/dbraw/zinc/84/20/15/455842015.db2.gz SMWNGNXQNKGFIA-UHFFFAOYSA-N 1 2 346.431 3.099 20 30 EGEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)c2noc(-c3ccccc3)n2)cs1 ZINC000278718523 455845843 /nfs/dbraw/zinc/84/58/43/455845843.db2.gz OTEKUWWKJFWQIL-SNVBAGLBSA-N 1 2 343.412 3.094 20 30 EGEDLO COCc1cccc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000269610984 455850770 /nfs/dbraw/zinc/85/07/70/455850770.db2.gz BEMDXZBGWGAOOW-UHFFFAOYSA-N 1 2 335.451 3.022 20 30 EGEDLO COc1cccc(/C=[NH+]/CCCOCCOCc2ccccc2)c1O ZINC000272407783 455940787 /nfs/dbraw/zinc/94/07/87/455940787.db2.gz NZLDGNAWAQULLU-RCCKNPSSSA-N 1 2 343.423 3.443 20 30 EGEDLO Cc1cc(NC(=O)N(C)C[C@@H](C)C#N)c[nH+]c1N1CCCC[C@H]1C ZINC000272709681 456047586 /nfs/dbraw/zinc/04/75/86/456047586.db2.gz XHIBPPXBKKEZRW-DZGCQCFKSA-N 1 2 329.448 3.392 20 30 EGEDLO CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000332575888 456093088 /nfs/dbraw/zinc/09/30/88/456093088.db2.gz YJMDGRMDDIGHDK-WBVHZDCISA-N 1 2 336.439 3.124 20 30 EGEDLO CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000332575884 456093293 /nfs/dbraw/zinc/09/32/93/456093293.db2.gz YJMDGRMDDIGHDK-NVXWUHKLSA-N 1 2 336.439 3.124 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000289028163 456113411 /nfs/dbraw/zinc/11/34/11/456113411.db2.gz ATSDQRHBASJLDM-HNNXBMFYSA-N 1 2 332.407 3.070 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC=C(c2cccnc2)C1 ZINC000289028163 456113419 /nfs/dbraw/zinc/11/34/19/456113419.db2.gz ATSDQRHBASJLDM-HNNXBMFYSA-N 1 2 332.407 3.070 20 30 EGEDLO Cn1c[nH+]cc1CCC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000188962681 456183320 /nfs/dbraw/zinc/18/33/20/456183320.db2.gz AFXSIUJWTJBGGG-CYBMUJFWSA-N 1 2 337.210 3.041 20 30 EGEDLO C=C(C)[C@H]1OCC[C@H]1c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000289939511 456187631 /nfs/dbraw/zinc/18/76/31/456187631.db2.gz BAUJTKTUODJBPJ-IAGOWNOFSA-N 1 2 336.395 3.430 20 30 EGEDLO Fc1cc(F)c(CNCc2[nH+]ccn2CC(F)(F)F)c(F)c1F ZINC000281406593 456226363 /nfs/dbraw/zinc/22/63/63/456226363.db2.gz IDEIVUJRVWTHNK-UHFFFAOYSA-N 1 2 341.230 3.292 20 30 EGEDLO Cc1oc(C#N)cc1C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000281437547 456233624 /nfs/dbraw/zinc/23/36/24/456233624.db2.gz ZGJTTWMIWMFMRS-GFCCVEGCSA-N 1 2 329.425 3.040 20 30 EGEDLO N#Cc1cc(F)c(N2CCC[N@H+](Cc3cscn3)CC2)c(F)c1 ZINC000263884596 456254764 /nfs/dbraw/zinc/25/47/64/456254764.db2.gz OLXAWRNOVQEWNN-UHFFFAOYSA-N 1 2 334.395 3.005 20 30 EGEDLO N#Cc1cc(F)c(N2CCC[N@@H+](Cc3cscn3)CC2)c(F)c1 ZINC000263884596 456254771 /nfs/dbraw/zinc/25/47/71/456254771.db2.gz OLXAWRNOVQEWNN-UHFFFAOYSA-N 1 2 334.395 3.005 20 30 EGEDLO CC[C@@H](CC#N)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000274684639 456263650 /nfs/dbraw/zinc/26/36/50/456263650.db2.gz XZLIAURYBZWRPZ-OLZOCXBDSA-N 1 2 335.477 3.189 20 30 EGEDLO CC[C@@H](CC#N)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000274684639 456263652 /nfs/dbraw/zinc/26/36/52/456263652.db2.gz XZLIAURYBZWRPZ-OLZOCXBDSA-N 1 2 335.477 3.189 20 30 EGEDLO C[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccc(Cl)c(F)c1 ZINC000342868745 456285103 /nfs/dbraw/zinc/28/51/03/456285103.db2.gz QOHLNWSDDNRMAP-UHFFFAOYSA-N 1 2 345.805 3.099 20 30 EGEDLO C[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccc(Cl)c(F)c1 ZINC000342868745 456285106 /nfs/dbraw/zinc/28/51/06/456285106.db2.gz QOHLNWSDDNRMAP-UHFFFAOYSA-N 1 2 345.805 3.099 20 30 EGEDLO C=C[C@](C)(O)CC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000290357160 456304265 /nfs/dbraw/zinc/30/42/65/456304265.db2.gz GGKIYITVNQWYTA-IBGZPJMESA-N 1 2 325.412 3.152 20 30 EGEDLO CC(C)N1CCC[C@H]([N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1=O ZINC000336878284 456314204 /nfs/dbraw/zinc/31/42/04/456314204.db2.gz CWLITUGTDMSFTQ-FHWLQOOXSA-N 1 2 325.456 3.158 20 30 EGEDLO CC(C)N1CCC[C@H]([N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1=O ZINC000336878284 456314208 /nfs/dbraw/zinc/31/42/08/456314208.db2.gz CWLITUGTDMSFTQ-FHWLQOOXSA-N 1 2 325.456 3.158 20 30 EGEDLO Cn1c2ccccc2[nH+]c1CCCNc1nc2ccccn2c1C#N ZINC000302205612 456316932 /nfs/dbraw/zinc/31/69/32/456316932.db2.gz WVZMGNKXUNMOCX-UHFFFAOYSA-N 1 2 330.395 3.137 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000352813110 456329453 /nfs/dbraw/zinc/32/94/53/456329453.db2.gz BMJXLPBLCRFXPO-GPMSIDNRSA-N 1 2 348.487 3.233 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000352813110 456329456 /nfs/dbraw/zinc/32/94/56/456329456.db2.gz BMJXLPBLCRFXPO-GPMSIDNRSA-N 1 2 348.487 3.233 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)c1ccc(C(=O)OC)o1 ZINC000352814678 456331937 /nfs/dbraw/zinc/33/19/37/456331937.db2.gz HXGDQBGDZGYYSH-CYBMUJFWSA-N 1 2 333.384 3.291 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)c1ccc(C(=O)OC)o1 ZINC000352814678 456331944 /nfs/dbraw/zinc/33/19/44/456331944.db2.gz HXGDQBGDZGYYSH-CYBMUJFWSA-N 1 2 333.384 3.291 20 30 EGEDLO C=C(C)COc1cccc(NC(=O)NCCNc2cccc[nH+]2)c1 ZINC000340316445 456382960 /nfs/dbraw/zinc/38/29/60/456382960.db2.gz FFEVAWSYTXBNHG-UHFFFAOYSA-N 1 2 326.400 3.270 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](Cc2ccco2)Cc2ccc(C)s2)C1=O ZINC000282025914 456393298 /nfs/dbraw/zinc/39/32/98/456393298.db2.gz PPNCKTCSYVHVNU-QGZVFWFLSA-N 1 2 330.453 3.439 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](Cc2ccco2)Cc2ccc(C)s2)C1=O ZINC000282025914 456393303 /nfs/dbraw/zinc/39/33/03/456393303.db2.gz PPNCKTCSYVHVNU-QGZVFWFLSA-N 1 2 330.453 3.439 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)Nc1ccccc1)Cc1cnn(C(C)C)c1 ZINC000352946517 456422909 /nfs/dbraw/zinc/42/29/09/456422909.db2.gz IKTUZYRHOINXSD-UHFFFAOYSA-N 1 2 326.444 3.481 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccccc1)Cc1cnn(C(C)C)c1 ZINC000352946517 456422917 /nfs/dbraw/zinc/42/29/17/456422917.db2.gz IKTUZYRHOINXSD-UHFFFAOYSA-N 1 2 326.444 3.481 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCC(F)(F)C3)CC2)cc1 ZINC000282187784 456437030 /nfs/dbraw/zinc/43/70/30/456437030.db2.gz WJKRNPOYEBWKIK-KRWDZBQOSA-N 1 2 347.409 3.028 20 30 EGEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000276362342 456457055 /nfs/dbraw/zinc/45/70/55/456457055.db2.gz ZCLSGJZGLVTRRI-GFCCVEGCSA-N 1 2 340.254 3.443 20 30 EGEDLO C[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc(Cl)s1 ZINC000298440046 456458604 /nfs/dbraw/zinc/45/86/04/456458604.db2.gz CADSNADOPCUTTB-UHFFFAOYSA-N 1 2 333.844 3.021 20 30 EGEDLO C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc(Cl)s1 ZINC000298440046 456458608 /nfs/dbraw/zinc/45/86/08/456458608.db2.gz CADSNADOPCUTTB-UHFFFAOYSA-N 1 2 333.844 3.021 20 30 EGEDLO C=C1CC[NH+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000353321658 456637587 /nfs/dbraw/zinc/63/75/87/456637587.db2.gz RZPDUBSDVFPFSZ-UHFFFAOYSA-N 1 2 328.315 3.357 20 30 EGEDLO Cc1ccnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)c1C#N ZINC000343483350 456652449 /nfs/dbraw/zinc/65/24/49/456652449.db2.gz WZXWIGJGYUAJGM-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO Cc1c(Cl)cnc(NCCCc2[nH]c3ccccc3[nH+]2)c1C#N ZINC000343511189 456671603 /nfs/dbraw/zinc/67/16/03/456671603.db2.gz NFGBLAFFYSIRHZ-UHFFFAOYSA-N 1 2 325.803 3.258 20 30 EGEDLO C=C(C)CN(Cc1ccc(CO)o1)c1[nH+]c2cccc(F)c2n1C ZINC000343593947 456730800 /nfs/dbraw/zinc/73/08/00/456730800.db2.gz QHRNJSOMQUCYGE-UHFFFAOYSA-N 1 2 329.375 3.380 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(Cl)c(OC)cc2Cl)C1=O ZINC000343618117 456748014 /nfs/dbraw/zinc/74/80/14/456748014.db2.gz WLWLFTXDZKBRDB-AWEZNQCLSA-N 1 2 343.254 3.221 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(Cl)c(OC)cc2Cl)C1=O ZINC000343618117 456748020 /nfs/dbraw/zinc/74/80/20/456748020.db2.gz WLWLFTXDZKBRDB-AWEZNQCLSA-N 1 2 343.254 3.221 20 30 EGEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CCCC23CCOCC3)C[C@@H]1n1cc[nH+]c1 ZINC000328768579 456757118 /nfs/dbraw/zinc/75/71/18/456757118.db2.gz BUJSMBLCFNOPCM-IXDOHACOSA-N 1 2 346.475 3.029 20 30 EGEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCCC23CCOCC3)C[C@@H]1n1cc[nH+]c1 ZINC000328768579 456757123 /nfs/dbraw/zinc/75/71/23/456757123.db2.gz BUJSMBLCFNOPCM-IXDOHACOSA-N 1 2 346.475 3.029 20 30 EGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC(C#N)CC3)n2)C1 ZINC000328811542 456767068 /nfs/dbraw/zinc/76/70/68/456767068.db2.gz FFQGPITZKKNCND-CYBMUJFWSA-N 1 2 347.488 3.156 20 30 EGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC(C#N)CC3)n2)C1 ZINC000328811542 456767072 /nfs/dbraw/zinc/76/70/72/456767072.db2.gz FFQGPITZKKNCND-CYBMUJFWSA-N 1 2 347.488 3.156 20 30 EGEDLO O=C(N[C@@H]1CCCOc2ccc(F)cc21)[C@H]1CCn2c[nH+]cc2C1 ZINC000328919581 456791007 /nfs/dbraw/zinc/79/10/07/456791007.db2.gz LNWVXVFACLDEMS-BLLLJJGKSA-N 1 2 329.375 3.455 20 30 EGEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000328939098 456796985 /nfs/dbraw/zinc/79/69/85/456796985.db2.gz KHNITHHYTLHVHR-DGCLKSJQSA-N 1 2 331.803 3.128 20 30 EGEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000328939098 456796987 /nfs/dbraw/zinc/79/69/87/456796987.db2.gz KHNITHHYTLHVHR-DGCLKSJQSA-N 1 2 331.803 3.128 20 30 EGEDLO CCc1cccc2c1OCC[C@@H]2NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328939313 456797145 /nfs/dbraw/zinc/79/71/45/456797145.db2.gz HBLAVSDGZYGKOW-PBHICJAKSA-N 1 2 325.412 3.488 20 30 EGEDLO C=CC[C@@H](CC)NC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000344287205 456812674 /nfs/dbraw/zinc/81/26/74/456812674.db2.gz UNWPSHNUTOOANC-MOPGFXCFSA-N 1 2 345.487 3.022 20 30 EGEDLO Cc1noc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cc(F)ccc3F)C2)n1 ZINC000329021247 456815840 /nfs/dbraw/zinc/81/58/40/456815840.db2.gz HXRMNVPGBLLHGN-KOLCDFICSA-N 1 2 336.342 3.122 20 30 EGEDLO Cc1noc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3cc(F)ccc3F)C2)n1 ZINC000329021247 456815843 /nfs/dbraw/zinc/81/58/43/456815843.db2.gz HXRMNVPGBLLHGN-KOLCDFICSA-N 1 2 336.342 3.122 20 30 EGEDLO N#CC1(F)CC[NH+](Cc2cccc(I)c2)CC1 ZINC000348713506 456825548 /nfs/dbraw/zinc/82/55/48/456825548.db2.gz LCFJZJBAMBQZTP-UHFFFAOYSA-N 1 2 344.171 3.119 20 30 EGEDLO Cc1noc([C@@H]2CC[N@H+](CC(=O)Nc3ccc(F)cc3Cl)C2)n1 ZINC000329067100 456827183 /nfs/dbraw/zinc/82/71/83/456827183.db2.gz WWCXSRUROMAVRY-SNVBAGLBSA-N 1 2 338.770 3.248 20 30 EGEDLO Cc1noc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(F)cc3Cl)C2)n1 ZINC000329067100 456827188 /nfs/dbraw/zinc/82/71/88/456827188.db2.gz WWCXSRUROMAVRY-SNVBAGLBSA-N 1 2 338.770 3.248 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CC(=O)N[C@@H](C)C1)C1CCOCC1 ZINC000329081038 456830306 /nfs/dbraw/zinc/83/03/06/456830306.db2.gz RNIVWSVTVKIAEF-DUVNUKRYSA-N 1 2 348.447 3.082 20 30 EGEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000353653229 456833463 /nfs/dbraw/zinc/83/34/63/456833463.db2.gz AWRBDQLHYAHBRZ-UHFFFAOYSA-N 1 2 340.383 3.030 20 30 EGEDLO [O-]C(=[NH+]C1CCC(c2ccc(F)cc2)CC1)N1CCn2cc[nH+]c2C1 ZINC000329293005 456867823 /nfs/dbraw/zinc/86/78/23/456867823.db2.gz JECNPOGAJXQBNA-UHFFFAOYSA-N 1 2 342.418 3.478 20 30 EGEDLO COCC[C@@](C)(C#N)NC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000344937976 456871769 /nfs/dbraw/zinc/87/17/69/456871769.db2.gz HZYYAEUKEJFPEA-IBGZPJMESA-N 1 2 339.395 3.231 20 30 EGEDLO Cc1cc(NC(=O)N[C@@]2(C)CCCOC2)c[nH+]c1N1CCCC[C@H]1C ZINC000329359068 456878749 /nfs/dbraw/zinc/87/87/49/456878749.db2.gz XJOVNOLWVCPOJT-BEFAXECRSA-N 1 2 346.475 3.473 20 30 EGEDLO Cc1ccn2cc(CNc3nc4cc(Cl)ccn4c3C#N)[nH+]c2c1 ZINC000341601497 456879773 /nfs/dbraw/zinc/87/97/73/456879773.db2.gz WAJXLJSLWMROHL-UHFFFAOYSA-N 1 2 336.786 3.428 20 30 EGEDLO CC[C@@H]1C[C@H](C(=O)Nc2ccccc2C[NH+]2CCOCC2)CC(=O)N1 ZINC000329372392 456880062 /nfs/dbraw/zinc/88/00/62/456880062.db2.gz BBZCWWWEOPRREQ-JKSUJKDBSA-N 1 2 345.443 3.252 20 30 EGEDLO C=C1CC[NH+](CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000329370190 456880373 /nfs/dbraw/zinc/88/03/73/456880373.db2.gz JRJUGDOTBAZOLV-UHFFFAOYSA-N 1 2 331.460 3.478 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1cccc3c[nH]nc31)C2 ZINC000329374487 456881638 /nfs/dbraw/zinc/88/16/38/456881638.db2.gz KKFSOMVOJMMHBC-CYBMUJFWSA-N 1 2 337.427 3.377 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@@H]2CCC[C@H]21)C1CCOCC1 ZINC000329452927 456893427 /nfs/dbraw/zinc/89/34/27/456893427.db2.gz LWXMKZZPEBMQLZ-USXIJHARSA-N 1 2 346.475 3.066 20 30 EGEDLO C[C@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)c1ccc(Cl)cn1 ZINC000329518774 456902961 /nfs/dbraw/zinc/90/29/61/456902961.db2.gz PUILXIYKGDSUBH-LRDDRELGSA-N 1 2 337.851 3.396 20 30 EGEDLO C[C@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)c1ccc(Cl)cn1 ZINC000329518774 456902965 /nfs/dbraw/zinc/90/29/65/456902965.db2.gz PUILXIYKGDSUBH-LRDDRELGSA-N 1 2 337.851 3.396 20 30 EGEDLO C[C@@H]1CCCc2ccccc2[C@@H]1[NH+]=C([O-])N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329548133 456906916 /nfs/dbraw/zinc/90/69/16/456906916.db2.gz HPYSQIMILQMTTN-FRIZHTMISA-N 1 2 338.455 3.484 20 30 EGEDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N1CC2(CCC2)c2c1cccc2F ZINC000329619601 456916974 /nfs/dbraw/zinc/91/69/74/456916974.db2.gz MGSDAMKHLHEOSU-LBPRGKRZSA-N 1 2 340.402 3.262 20 30 EGEDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N1CC2(CCC2)c2c1cccc2F ZINC000329619601 456916975 /nfs/dbraw/zinc/91/69/75/456916975.db2.gz MGSDAMKHLHEOSU-LBPRGKRZSA-N 1 2 340.402 3.262 20 30 EGEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+]C[C@H]2CCCSC2)C1 ZINC000329705911 456930242 /nfs/dbraw/zinc/93/02/42/456930242.db2.gz KRPHIYYDWDZUHD-HUUCEWRRSA-N 1 2 336.505 3.140 20 30 EGEDLO C=CC[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)Cc1cccc(C#N)c1 ZINC000345136260 456937900 /nfs/dbraw/zinc/93/79/00/456937900.db2.gz LJDIURTYDDOUSX-KRWDZBQOSA-N 1 2 327.472 3.439 20 30 EGEDLO C=CC[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)Cc1cccc(C#N)c1 ZINC000345136260 456937901 /nfs/dbraw/zinc/93/79/01/456937901.db2.gz LJDIURTYDDOUSX-KRWDZBQOSA-N 1 2 327.472 3.439 20 30 EGEDLO N#CC[C@@H](CC(=O)N1CC[NH+](Cc2ccco2)CC1)c1ccccc1 ZINC000353891817 456953355 /nfs/dbraw/zinc/95/33/55/456953355.db2.gz JZIQBEKLMHTFIL-SFHVURJKSA-N 1 2 337.423 3.011 20 30 EGEDLO Cc1cccc([C@H](C)NC([O-])=[NH+]C[C@H]2CCc3[nH+]ccn3C2)c1C ZINC000329924640 456961285 /nfs/dbraw/zinc/96/12/85/456961285.db2.gz VBGSKLAMFPIXBW-JKSUJKDBSA-N 1 2 326.444 3.327 20 30 EGEDLO Cc1nc(C2(NC(=O)CCc3c[nH+]cn3C)CCCCCC2)no1 ZINC000330035968 456977677 /nfs/dbraw/zinc/97/76/77/456977677.db2.gz XWDACPVJDJYURP-UHFFFAOYSA-N 1 2 331.420 3.250 20 30 EGEDLO O=C(NCc1cn2c([nH+]1)CCCC2)NC[C@@H]1CCC2(CCCCC2)O1 ZINC000330118770 456987288 /nfs/dbraw/zinc/98/72/88/456987288.db2.gz YYXNLZJDWFYIBW-INIZCTEOSA-N 1 2 346.475 3.105 20 30 EGEDLO C=CCOc1cccc(C[N@@H+](C)Cc2nc([C@@H](C)OCC)no2)c1 ZINC000353996332 456994816 /nfs/dbraw/zinc/99/48/16/456994816.db2.gz OLDLXTRHNUYQBH-CQSZACIVSA-N 1 2 331.416 3.364 20 30 EGEDLO C=CCOc1cccc(C[N@H+](C)Cc2nc([C@@H](C)OCC)no2)c1 ZINC000353996332 456994820 /nfs/dbraw/zinc/99/48/20/456994820.db2.gz OLDLXTRHNUYQBH-CQSZACIVSA-N 1 2 331.416 3.364 20 30 EGEDLO [O-]C(N[C@@H]1CCc2cc(Cl)ccc21)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330178396 456997408 /nfs/dbraw/zinc/99/74/08/456997408.db2.gz LPJZAPJIMHLLEF-UKRRQHHQSA-N 1 2 330.819 3.042 20 30 EGEDLO CCc1ccc([C@@H](C#N)NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000345812302 456998003 /nfs/dbraw/zinc/99/80/03/456998003.db2.gz ULRGLSWVQZVJFR-LJQANCHMSA-N 1 2 330.391 3.429 20 30 EGEDLO CC[C@@H]1OCCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000330241748 457010513 /nfs/dbraw/zinc/01/05/13/457010513.db2.gz BWIYGQBHWIJIML-MOPGFXCFSA-N 1 2 346.471 3.181 20 30 EGEDLO O=C(N[C@@H]1CCCc2sc(Cl)cc21)N1CCn2cc[nH+]c2C1 ZINC000330240211 457010701 /nfs/dbraw/zinc/01/07/01/457010701.db2.gz FBOQPLKHLMISBB-LLVKDONJSA-N 1 2 336.848 3.405 20 30 EGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NC[C@@H]1CCC(F)(F)C1)C2 ZINC000330247989 457011858 /nfs/dbraw/zinc/01/18/58/457011858.db2.gz FXDXQBZWRJNJMU-GFCCVEGCSA-N 1 2 340.418 3.251 20 30 EGEDLO CC(C)(C)c1cc(NC(=O)C[N@@H+]2CCOC[C@H](C3CCC3)C2)on1 ZINC000330263341 457015464 /nfs/dbraw/zinc/01/54/64/457015464.db2.gz WJQHVKQAOJRYDH-CQSZACIVSA-N 1 2 335.448 3.309 20 30 EGEDLO CC(C)(C)c1cc(NC(=O)C[N@H+]2CCOC[C@H](C3CCC3)C2)on1 ZINC000330263341 457015470 /nfs/dbraw/zinc/01/54/70/457015470.db2.gz WJQHVKQAOJRYDH-CQSZACIVSA-N 1 2 335.448 3.309 20 30 EGEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CC2(CCCC2)c2ccccc21 ZINC000330274093 457018858 /nfs/dbraw/zinc/01/88/58/457018858.db2.gz JOFLAXWROJDCOQ-OAHLLOKOSA-N 1 2 336.439 3.444 20 30 EGEDLO COCC1(C#N)CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000341992532 457046857 /nfs/dbraw/zinc/04/68/57/457046857.db2.gz NALOFVTUDGGTEH-AWEZNQCLSA-N 1 2 349.862 3.228 20 30 EGEDLO C[C@H](Oc1ccccc1C#N)C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000342032715 457069602 /nfs/dbraw/zinc/06/96/02/457069602.db2.gz YRMUGTDCFBODOB-AWEZNQCLSA-N 1 2 346.390 3.032 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCOC(C)(C)[C@H]2C)c1 ZINC000331054604 457125595 /nfs/dbraw/zinc/12/55/95/457125595.db2.gz OFOXTVCGYYILNB-QGZVFWFLSA-N 1 2 343.471 3.049 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCOC(C)(C)[C@H]2C)c1 ZINC000331054604 457125601 /nfs/dbraw/zinc/12/56/01/457125601.db2.gz OFOXTVCGYYILNB-QGZVFWFLSA-N 1 2 343.471 3.049 20 30 EGEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000339760056 457252605 /nfs/dbraw/zinc/25/26/05/457252605.db2.gz JEYMRYGCSDCRLU-LLVKDONJSA-N 1 2 349.406 3.370 20 30 EGEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000339760056 457252611 /nfs/dbraw/zinc/25/26/11/457252611.db2.gz JEYMRYGCSDCRLU-LLVKDONJSA-N 1 2 349.406 3.370 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000347284271 457329889 /nfs/dbraw/zinc/32/98/89/457329889.db2.gz YKEBKIQCQMBKJL-HNNXBMFYSA-N 1 2 330.457 3.331 20 30 EGEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2sc(C)cc2C(=O)OCC)CC1 ZINC000352220514 457350133 /nfs/dbraw/zinc/35/01/33/457350133.db2.gz BQACDOPBASMJAJ-CYBMUJFWSA-N 1 2 336.457 3.212 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@](C)(F)C2)c1 ZINC000347355957 457371497 /nfs/dbraw/zinc/37/14/97/457371497.db2.gz QQQOXCIBQHWVCS-LPHOPBHVSA-N 1 2 331.435 3.373 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@](C)(F)C2)c1 ZINC000347355957 457371500 /nfs/dbraw/zinc/37/15/00/457371500.db2.gz QQQOXCIBQHWVCS-LPHOPBHVSA-N 1 2 331.435 3.373 20 30 EGEDLO CN(CCC#N)c1ccc(C[N@@H+]2CCOC[C@@H]2c2ccco2)cc1 ZINC000378341238 457391739 /nfs/dbraw/zinc/39/17/39/457391739.db2.gz KEVCLOFTIKSSOP-GOSISDBHSA-N 1 2 325.412 3.203 20 30 EGEDLO CN(CCC#N)c1ccc(C[N@H+]2CCOC[C@@H]2c2ccco2)cc1 ZINC000378341238 457391742 /nfs/dbraw/zinc/39/17/42/457391742.db2.gz KEVCLOFTIKSSOP-GOSISDBHSA-N 1 2 325.412 3.203 20 30 EGEDLO CN(CCC#N)c1ccc(C[N@@H+]2CCOC[C@H]2c2ccco2)cc1 ZINC000378341246 457391899 /nfs/dbraw/zinc/39/18/99/457391899.db2.gz KEVCLOFTIKSSOP-SFHVURJKSA-N 1 2 325.412 3.203 20 30 EGEDLO CN(CCC#N)c1ccc(C[N@H+]2CCOC[C@H]2c2ccco2)cc1 ZINC000378341246 457391902 /nfs/dbraw/zinc/39/19/02/457391902.db2.gz KEVCLOFTIKSSOP-SFHVURJKSA-N 1 2 325.412 3.203 20 30 EGEDLO N#CC[C@@H](CC(=O)NCCCCNc1cccc[nH+]1)c1ccccc1 ZINC000355652148 457396694 /nfs/dbraw/zinc/39/66/94/457396694.db2.gz DCRQTVLQOSHGAK-SFHVURJKSA-N 1 2 336.439 3.477 20 30 EGEDLO C[N@@H+]1CCc2nc(NC(=O)C[C@H](CC#N)c3ccccc3)sc2C1 ZINC000369861967 457434735 /nfs/dbraw/zinc/43/47/35/457434735.db2.gz HTNDCXZQZDBVBR-AWEZNQCLSA-N 1 2 340.452 3.157 20 30 EGEDLO C[N@H+]1CCc2nc(NC(=O)C[C@H](CC#N)c3ccccc3)sc2C1 ZINC000369861967 457434739 /nfs/dbraw/zinc/43/47/39/457434739.db2.gz HTNDCXZQZDBVBR-AWEZNQCLSA-N 1 2 340.452 3.157 20 30 EGEDLO Cc1cccn2cc(COc3ccccc3C(=O)NCCCC#N)[nH+]c12 ZINC000342660579 457436990 /nfs/dbraw/zinc/43/69/90/457436990.db2.gz WTUVKAFXLMEQEB-UHFFFAOYSA-N 1 2 348.406 3.255 20 30 EGEDLO CC[N@H+](CCc1nc2sc3c(c2c(N)n1)CCCC3)C[C@H](C)C#N ZINC000357329811 457450068 /nfs/dbraw/zinc/45/00/68/457450068.db2.gz FVTOOXDFCZPRAV-GFCCVEGCSA-N 1 2 343.500 3.176 20 30 EGEDLO CC[N@@H+](CCc1nc2sc3c(c2c(N)n1)CCCC3)C[C@H](C)C#N ZINC000357329811 457450073 /nfs/dbraw/zinc/45/00/73/457450073.db2.gz FVTOOXDFCZPRAV-GFCCVEGCSA-N 1 2 343.500 3.176 20 30 EGEDLO N#CCC1(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000374042443 457453308 /nfs/dbraw/zinc/45/33/08/457453308.db2.gz WFJHCSINKIPZOH-MSOLQXFVSA-N 1 2 349.438 3.105 20 30 EGEDLO C=CCN(CCc1ccco1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000352566049 457470898 /nfs/dbraw/zinc/47/08/98/457470898.db2.gz BVOYZHALCLVIRX-UHFFFAOYSA-N 1 2 335.407 3.395 20 30 EGEDLO Cc1nn(C)c(C[NH+]2CCC(CCC#N)CC2)c1Br ZINC000399455259 457508708 /nfs/dbraw/zinc/50/87/08/457508708.db2.gz JPLGFASRBFWBBL-UHFFFAOYSA-N 1 2 325.254 3.007 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCS(=O)(=O)c1ccc(F)cc1 ZINC000425531766 457586969 /nfs/dbraw/zinc/58/69/69/457586969.db2.gz HWSJBZGHTYMAKG-AWEZNQCLSA-N 1 2 346.427 3.164 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCS(=O)(=O)c1ccc(F)cc1 ZINC000425531766 457586974 /nfs/dbraw/zinc/58/69/74/457586974.db2.gz HWSJBZGHTYMAKG-AWEZNQCLSA-N 1 2 346.427 3.164 20 30 EGEDLO C=C(C)[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)c(F)c1 ZINC000364916596 457717525 /nfs/dbraw/zinc/71/75/25/457717525.db2.gz ODIRVCLIRJEDRS-DYVFJYSZSA-N 1 2 331.366 3.157 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000365213756 457731970 /nfs/dbraw/zinc/73/19/70/457731970.db2.gz BLATWELPVYJAFE-SJLPKXTDSA-N 1 2 335.398 3.156 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000365213756 457731973 /nfs/dbraw/zinc/73/19/73/457731973.db2.gz BLATWELPVYJAFE-SJLPKXTDSA-N 1 2 335.398 3.156 20 30 EGEDLO N#Cc1nc(NCCc2[nH]c3ccc(F)cc3[nH+]2)ccc1C(F)(F)F ZINC000443509895 457772445 /nfs/dbraw/zinc/77/24/45/457772445.db2.gz KTYIUQMNIJYCAC-UHFFFAOYSA-N 1 2 349.291 3.064 20 30 EGEDLO CC(C)CN1CC[N@H+](Cc2ccccc2C(C)(C)C#N)[C@H](C)C1=O ZINC000426237634 457793494 /nfs/dbraw/zinc/79/34/94/457793494.db2.gz LSEBKAUSWAKGIF-MRXNPFEDSA-N 1 2 327.472 3.176 20 30 EGEDLO CC(C)CN1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@H](C)C1=O ZINC000426237634 457793501 /nfs/dbraw/zinc/79/35/01/457793501.db2.gz LSEBKAUSWAKGIF-MRXNPFEDSA-N 1 2 327.472 3.176 20 30 EGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000426461247 457834527 /nfs/dbraw/zinc/83/45/27/457834527.db2.gz PIBXYBAQZNCDFN-KFKAGJAMSA-N 1 2 346.446 3.012 20 30 EGEDLO N#Cc1ccc(C2=CC[N@H+]([C@H](C(N)=O)c3ccc(F)cc3)CC2)cc1 ZINC000371329822 457869628 /nfs/dbraw/zinc/86/96/28/457869628.db2.gz OFDFKQJWLFVLGU-IBGZPJMESA-N 1 2 335.382 3.013 20 30 EGEDLO N#Cc1ccc(C2=CC[N@@H+]([C@H](C(N)=O)c3ccc(F)cc3)CC2)cc1 ZINC000371329822 457869632 /nfs/dbraw/zinc/86/96/32/457869632.db2.gz OFDFKQJWLFVLGU-IBGZPJMESA-N 1 2 335.382 3.013 20 30 EGEDLO C=C[C@H](CC(=O)NCc1ccc(-n2cc[nH+]c2)nc1)c1ccccc1 ZINC000366961035 457914212 /nfs/dbraw/zinc/91/42/12/457914212.db2.gz KSEVGOICXYPHJD-QGZVFWFLSA-N 1 2 332.407 3.243 20 30 EGEDLO C=C(C)[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)o1)c1ccc(F)c(F)c1 ZINC000411557247 457918592 /nfs/dbraw/zinc/91/85/92/457918592.db2.gz QIQVTPHAFBEJEL-MRXNPFEDSA-N 1 2 341.379 3.368 20 30 EGEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)NCC(C)(C)C#N ZINC000358626024 458114427 /nfs/dbraw/zinc/11/44/27/458114427.db2.gz JLCNQGBHEQTBRB-OAHLLOKOSA-N 1 2 339.443 3.069 20 30 EGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cc(C#N)ccc1Cl)CCC2 ZINC000376072366 458185516 /nfs/dbraw/zinc/18/55/16/458185516.db2.gz ZWHDQZINJQYJBH-CYBMUJFWSA-N 1 2 328.803 3.024 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429130966 458278023 /nfs/dbraw/zinc/27/80/23/458278023.db2.gz WDSTZWVQCONCEK-LSDHHAIUSA-N 1 2 335.407 3.168 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429130966 458278030 /nfs/dbraw/zinc/27/80/30/458278030.db2.gz WDSTZWVQCONCEK-LSDHHAIUSA-N 1 2 335.407 3.168 20 30 EGEDLO CN(C(=O)NCC(C)(C)CC#N)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000459229249 458296192 /nfs/dbraw/zinc/29/61/92/458296192.db2.gz DMFKOLGZPIUHOY-OAHLLOKOSA-N 1 2 325.416 3.080 20 30 EGEDLO C=CCC1(CNc2cc(N3CC[C@@H]([C@H](C)O)C3)nc[nH+]2)CCCC1 ZINC000413313801 458297361 /nfs/dbraw/zinc/29/73/61/458297361.db2.gz HZNPYNDMIPRAMI-JKSUJKDBSA-N 1 2 330.476 3.232 20 30 EGEDLO C=CCC1(CNc2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)CCCC1 ZINC000413313801 458297363 /nfs/dbraw/zinc/29/73/63/458297363.db2.gz HZNPYNDMIPRAMI-JKSUJKDBSA-N 1 2 330.476 3.232 20 30 EGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000413812011 458307397 /nfs/dbraw/zinc/30/73/97/458307397.db2.gz BKPYBHSLXVKFES-GOSISDBHSA-N 1 2 338.455 3.417 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNc1nc(C(F)(F)F)ccc1C#N)CCC2 ZINC000376635889 458358530 /nfs/dbraw/zinc/35/85/30/458358530.db2.gz BHODMMFDQHYMGN-LBPRGKRZSA-N 1 2 335.333 3.467 20 30 EGEDLO Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCC[N@@H+]1CCCC#N ZINC000373129075 458405037 /nfs/dbraw/zinc/40/50/37/458405037.db2.gz XCUNCPFHHJALCM-IBGZPJMESA-N 1 2 338.455 3.225 20 30 EGEDLO Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCC[N@H+]1CCCC#N ZINC000373129075 458405039 /nfs/dbraw/zinc/40/50/39/458405039.db2.gz XCUNCPFHHJALCM-IBGZPJMESA-N 1 2 338.455 3.225 20 30 EGEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@H](CC)O1 ZINC000420959239 458405559 /nfs/dbraw/zinc/40/55/59/458405559.db2.gz QCSSAXAKJQXAAF-QRQLOZEOSA-N 1 2 343.471 3.211 20 30 EGEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@H](CC)O1 ZINC000420959239 458405562 /nfs/dbraw/zinc/40/55/62/458405562.db2.gz QCSSAXAKJQXAAF-QRQLOZEOSA-N 1 2 343.471 3.211 20 30 EGEDLO Cn1cc([C@@H]([NH2+]Cc2cn3ccccc3c2C#N)c2ccccc2)cn1 ZINC000373143559 458409238 /nfs/dbraw/zinc/40/92/38/458409238.db2.gz FMXFICVYRRYYEL-NRFANRHFSA-N 1 2 341.418 3.424 20 30 EGEDLO C=CC[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)nc1)c1ccccc1 ZINC000376937962 458425766 /nfs/dbraw/zinc/42/57/66/458425766.db2.gz TZOCZKIJJYWMDD-GOSISDBHSA-N 1 2 332.407 3.243 20 30 EGEDLO C=CCC[C@H]([NH2+]Cc1ccc(C)cc1-c1cnn(C)c1)C(=O)OCC ZINC000449656931 458428858 /nfs/dbraw/zinc/42/88/58/458428858.db2.gz NBCIVJMOOOGKFH-IBGZPJMESA-N 1 2 341.455 3.383 20 30 EGEDLO C=C(C)C(C)(C)c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000424216293 458585719 /nfs/dbraw/zinc/58/57/19/458585719.db2.gz VUUSCEIHTJADDB-MRXNPFEDSA-N 1 2 327.428 3.497 20 30 EGEDLO C=C(C)C(C)(C)c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000424216293 458585727 /nfs/dbraw/zinc/58/57/27/458585727.db2.gz VUUSCEIHTJADDB-MRXNPFEDSA-N 1 2 327.428 3.497 20 30 EGEDLO N#Cc1cccc(-c2csc(NC(=O)[C@H]3CCc4[nH+]ccn4C3)n2)c1 ZINC000373746774 458590613 /nfs/dbraw/zinc/59/06/13/458590613.db2.gz QQYHXTKRKBXHNJ-AWEZNQCLSA-N 1 2 349.419 3.079 20 30 EGEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(F)cc2OC(F)F)nn1 ZINC000424298090 458608211 /nfs/dbraw/zinc/60/82/11/458608211.db2.gz RYTIGZDRDSHKAQ-SNVBAGLBSA-N 1 2 326.322 3.055 20 30 EGEDLO CC(C)(C)Oc1ccc(NC(=O)NCCCn2cc[nH+]c2)cc1C#N ZINC000455791442 458615793 /nfs/dbraw/zinc/61/57/93/458615793.db2.gz JOZJLEJZCSZEOV-UHFFFAOYSA-N 1 2 341.415 3.144 20 30 EGEDLO C=C[C@H]1CCCCN1C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000494221565 458641925 /nfs/dbraw/zinc/64/19/25/458641925.db2.gz YSNZDZBWAANUTK-KRWDZBQOSA-N 1 2 328.460 3.322 20 30 EGEDLO CCC(C#N)(CC)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000530157733 458697744 /nfs/dbraw/zinc/69/77/44/458697744.db2.gz ITBIAKCNJFBMEN-UHFFFAOYSA-N 1 2 340.427 3.150 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000424801172 458734396 /nfs/dbraw/zinc/73/43/96/458734396.db2.gz VRHKEECNJIZXNN-INIZCTEOSA-N 1 2 343.471 3.264 20 30 EGEDLO C=CCCCC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000508335609 458757829 /nfs/dbraw/zinc/75/78/29/458757829.db2.gz QGMKACZSBFEFIS-QGZVFWFLSA-N 1 2 330.472 3.474 20 30 EGEDLO C=CCCCC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000508335609 458757838 /nfs/dbraw/zinc/75/78/38/458757838.db2.gz QGMKACZSBFEFIS-QGZVFWFLSA-N 1 2 330.472 3.474 20 30 EGEDLO N#CC1(F)CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000510968684 458777328 /nfs/dbraw/zinc/77/73/28/458777328.db2.gz NQEQSXDXLMZGNC-UHFFFAOYSA-N 1 2 326.293 3.264 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)cc1Cl ZINC000512686742 458788378 /nfs/dbraw/zinc/78/83/78/458788378.db2.gz JIMFUJGJVYMYIY-HZPDHXFCSA-N 1 2 334.847 3.148 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)cc1Cl ZINC000512686742 458788384 /nfs/dbraw/zinc/78/83/84/458788384.db2.gz JIMFUJGJVYMYIY-HZPDHXFCSA-N 1 2 334.847 3.148 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000464897261 458790646 /nfs/dbraw/zinc/79/06/46/458790646.db2.gz PASMOCIMZJJNKM-HXUWFJFHSA-N 1 2 343.446 3.359 20 30 EGEDLO C=C(C)[C@@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccc(F)c(F)c1 ZINC000547952635 458814703 /nfs/dbraw/zinc/81/47/03/458814703.db2.gz APBZCHZVBXFKBL-SUMWQHHRSA-N 1 2 346.381 3.093 20 30 EGEDLO N#CCCC[C@H]([NH2+]Cc1noc(C2CCOCC2)n1)c1ccccc1 ZINC000433009723 458825526 /nfs/dbraw/zinc/82/55/26/458825526.db2.gz IQWAFJSDYQDJMS-KRWDZBQOSA-N 1 2 340.427 3.488 20 30 EGEDLO C=CCC[C@H]([NH2+]Cc1nnn(CC(F)(F)F)n1)c1ccccc1 ZINC000440600902 458830465 /nfs/dbraw/zinc/83/04/65/458830465.db2.gz RZHSHPVLXDLYOM-ZDUSSCGKSA-N 1 2 325.338 3.033 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(F)cc1C#N)c1ccccc1 ZINC000531437726 458918844 /nfs/dbraw/zinc/91/88/44/458918844.db2.gz AGFWBEAUEHDXQF-QGZVFWFLSA-N 1 2 349.369 3.342 20 30 EGEDLO Cc1cccc(Oc2ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc2)c1 ZINC000519757964 459000630 /nfs/dbraw/zinc/00/06/30/459000630.db2.gz CVQZJKNVKKNFFV-GOSISDBHSA-N 1 2 339.439 3.406 20 30 EGEDLO Cc1cccc(Oc2ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc2)c1 ZINC000519757964 459000638 /nfs/dbraw/zinc/00/06/38/459000638.db2.gz CVQZJKNVKKNFFV-GOSISDBHSA-N 1 2 339.439 3.406 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)NCC2(C#N)CC2)CC1 ZINC000521165666 459125608 /nfs/dbraw/zinc/12/56/08/459125608.db2.gz SLEWSGMBHRLWES-AWEZNQCLSA-N 1 2 346.862 3.032 20 30 EGEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(-c2cccc(F)c2)c(F)c1 ZINC000578233009 459167209 /nfs/dbraw/zinc/16/72/09/459167209.db2.gz XFPFWAXHASGXLV-QGZVFWFLSA-N 1 2 345.393 3.250 20 30 EGEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(-c2cccc(F)c2)c(F)c1 ZINC000578233009 459167210 /nfs/dbraw/zinc/16/72/10/459167210.db2.gz XFPFWAXHASGXLV-QGZVFWFLSA-N 1 2 345.393 3.250 20 30 EGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000558620782 459182830 /nfs/dbraw/zinc/18/28/30/459182830.db2.gz IQQJPXHPJBFDEE-UHFFFAOYSA-N 1 2 340.358 3.186 20 30 EGEDLO Cc1cc[nH+]c(C)c1NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000496415022 459184854 /nfs/dbraw/zinc/18/48/54/459184854.db2.gz DPSUXNDUIQZJSW-AWEZNQCLSA-N 1 2 346.431 3.224 20 30 EGEDLO Cc1[nH+]c2cc(NC(=O)CCCCCC#N)ccc2n1[C@@H](C)CO ZINC000590883610 459257952 /nfs/dbraw/zinc/25/79/52/459257952.db2.gz JKSQUSMPNKDCHH-ZDUSSCGKSA-N 1 2 328.416 3.311 20 30 EGEDLO C=CCOc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2c2cccc(C)c2)c1 ZINC000580570622 459261197 /nfs/dbraw/zinc/26/11/97/459261197.db2.gz FNQBSIXPIVEXJD-FQEVSTJZSA-N 1 2 336.435 3.233 20 30 EGEDLO C=CCOc1cccc(C[N@H+]2CCNC(=O)[C@@H]2c2cccc(C)c2)c1 ZINC000580570622 459261206 /nfs/dbraw/zinc/26/12/06/459261206.db2.gz FNQBSIXPIVEXJD-FQEVSTJZSA-N 1 2 336.435 3.233 20 30 EGEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)C[C@@H](CC#N)c2ccccc2)CC1(C)C ZINC000580756226 459264777 /nfs/dbraw/zinc/26/47/77/459264777.db2.gz JRSPFNGYUXXQCZ-SJLPKXTDSA-N 1 2 336.439 3.417 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c2[nH+]ccn21 ZINC000580995144 459266798 /nfs/dbraw/zinc/26/67/98/459266798.db2.gz KQDLVULICMPXFC-NRSFXHEJSA-N 1 2 349.438 3.370 20 30 EGEDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCc2cc(C#N)ccc21 ZINC000591312902 459351523 /nfs/dbraw/zinc/35/15/23/459351523.db2.gz SNZWTVZGZVZLSX-UHFFFAOYSA-N 1 2 330.391 3.060 20 30 EGEDLO CN(C(=O)C[N@@H+]1CCc2ccc(Cl)cc2C1)C1(C#N)CCCCC1 ZINC000536429410 459359942 /nfs/dbraw/zinc/35/99/42/459359942.db2.gz IMAZRYRAYYAPAE-UHFFFAOYSA-N 1 2 345.874 3.383 20 30 EGEDLO CN(C(=O)C[N@H+]1CCc2ccc(Cl)cc2C1)C1(C#N)CCCCC1 ZINC000536429410 459359946 /nfs/dbraw/zinc/35/99/46/459359946.db2.gz IMAZRYRAYYAPAE-UHFFFAOYSA-N 1 2 345.874 3.383 20 30 EGEDLO Cc1cc2[nH+]cn(C[C@@H](O)CNc3cccc(CC#N)c3)c2cc1C ZINC000591776714 459434038 /nfs/dbraw/zinc/43/40/38/459434038.db2.gz BUQUKLCYYRFWFD-SFHVURJKSA-N 1 2 334.423 3.192 20 30 EGEDLO C[C@@H]1CCC[C@H](OCCCCCC(=O)N[C@](C)(C#N)C[NH+](C)C)C1 ZINC000582847894 459438782 /nfs/dbraw/zinc/43/87/82/459438782.db2.gz BORKYXQNANMVCZ-ZIFCJYIRSA-N 1 2 337.508 3.102 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000488365785 459543883 /nfs/dbraw/zinc/54/38/83/459543883.db2.gz KCQMFXBDVJAVDR-QGZVFWFLSA-N 1 2 338.386 3.066 20 30 EGEDLO C=CCn1cccc1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000488747376 459550026 /nfs/dbraw/zinc/55/00/26/459550026.db2.gz FMWZVCFOSPUZGO-UHFFFAOYSA-N 1 2 334.423 3.043 20 30 EGEDLO COC(=O)[C@H]([NH2+]CCC1(C#N)CCCCC1)[C@@H]1CCC[C@@H](OC)C1 ZINC000570165992 459553879 /nfs/dbraw/zinc/55/38/79/459553879.db2.gz HNEXORZRPDZNQT-BRWVUGGUSA-N 1 2 336.476 3.187 20 30 EGEDLO Fc1cncc(N2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)c1 ZINC000571066730 459564002 /nfs/dbraw/zinc/56/40/02/459564002.db2.gz CPRMFKPBVWSQOV-UHFFFAOYSA-N 1 2 329.806 3.048 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000571342090 459567471 /nfs/dbraw/zinc/56/74/71/459567471.db2.gz VTHMJBDRCNYDRM-NSHDSACASA-N 1 2 335.256 3.049 20 30 EGEDLO Cc1nc(NCC2CC[NH+](CC(F)F)CC2)c(Cl)cc1C#N ZINC000596237861 459571725 /nfs/dbraw/zinc/57/17/25/459571725.db2.gz BVFHVCSWTMPQIF-UHFFFAOYSA-N 1 2 328.794 3.304 20 30 EGEDLO COC(=O)c1ccc(COc2ccccc2C[NH2+]C[C@H](C)C#N)cc1 ZINC000527108594 459593335 /nfs/dbraw/zinc/59/33/35/459593335.db2.gz BFTSXZAKUUSQGT-OAHLLOKOSA-N 1 2 338.407 3.301 20 30 EGEDLO N#CC1(NC(=O)C[N@@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)CCC1 ZINC000527127722 459595786 /nfs/dbraw/zinc/59/57/86/459595786.db2.gz ZUNMWDUKNABBIP-GOSISDBHSA-N 1 2 336.439 3.257 20 30 EGEDLO N#CC1(NC(=O)C[N@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)CCC1 ZINC000527127722 459595794 /nfs/dbraw/zinc/59/57/94/459595794.db2.gz ZUNMWDUKNABBIP-GOSISDBHSA-N 1 2 336.439 3.257 20 30 EGEDLO C#CCN(C(=O)NCc1ccc2c(c1)[nH+]c(CC)n2C1CC1)C1CC1 ZINC000491154989 459601477 /nfs/dbraw/zinc/60/14/77/459601477.db2.gz NYPVCAMZZSMHMR-UHFFFAOYSA-N 1 2 336.439 3.241 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)/C=C\c1cccc(C#N)c1)C2 ZINC000491400947 459623141 /nfs/dbraw/zinc/62/31/41/459623141.db2.gz LEFPIFDPKSPPJX-JEZWAEDTSA-N 1 2 348.450 3.197 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1OC)c1ccc(F)cc1 ZINC000491426609 459626504 /nfs/dbraw/zinc/62/65/04/459626504.db2.gz HBVNODUELIMPNT-MRXNPFEDSA-N 1 2 329.371 3.316 20 30 EGEDLO COc1cc(OC)c2ncc(C#N)c(N[C@H]3C[C@@H](C)n4cc[nH+]c43)c2c1 ZINC000583975519 459627330 /nfs/dbraw/zinc/62/73/30/459627330.db2.gz QOMRURPGTZOPJM-ABAIWWIYSA-N 1 2 349.394 3.438 20 30 EGEDLO N#C[C@@H](NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000491520961 459633873 /nfs/dbraw/zinc/63/38/73/459633873.db2.gz QXEIEFUVSBXFOT-WTHBOENASA-N 1 2 346.365 3.406 20 30 EGEDLO C#C[C@@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(F)cc1 ZINC000491734130 459663466 /nfs/dbraw/zinc/66/34/66/459663466.db2.gz OKVOTPIABNZZDX-GOSISDBHSA-N 1 2 348.381 3.185 20 30 EGEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000491801881 459676602 /nfs/dbraw/zinc/67/66/02/459676602.db2.gz FAHHOVMWPFLMBW-MRVPVSSYSA-N 1 2 326.219 3.014 20 30 EGEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000491801881 459676608 /nfs/dbraw/zinc/67/66/08/459676608.db2.gz FAHHOVMWPFLMBW-MRVPVSSYSA-N 1 2 326.219 3.014 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000596593812 459689021 /nfs/dbraw/zinc/68/90/21/459689021.db2.gz RXYQWZYSARUOGO-KSSFIOAISA-N 1 2 334.423 3.363 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000596593812 459689028 /nfs/dbraw/zinc/68/90/28/459689028.db2.gz RXYQWZYSARUOGO-KSSFIOAISA-N 1 2 334.423 3.363 20 30 EGEDLO Cc1c[nH+]c2cc(C(=O)N[C@H]3CCCc4cc(C#N)ccc43)ccn12 ZINC000573576580 459700630 /nfs/dbraw/zinc/70/06/30/459700630.db2.gz LFTNFFADHPSRGJ-SFHVURJKSA-N 1 2 330.391 3.322 20 30 EGEDLO C=CCOc1ccc(/C=C/C(=O)N[C@@H](CC)c2[nH]cc[nH+]2)cc1OC ZINC000492620309 459713234 /nfs/dbraw/zinc/71/32/34/459713234.db2.gz JINYGCBGRODQCN-HEWZJLJBSA-N 1 2 341.411 3.264 20 30 EGEDLO N#CC1(CC(=O)NCc2ccc(N3CCCC3)[nH+]c2)CCCCC1 ZINC000596730327 459744158 /nfs/dbraw/zinc/74/41/58/459744158.db2.gz HFSNVPNXKNBZHN-UHFFFAOYSA-N 1 2 326.444 3.162 20 30 EGEDLO COc1ccc(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)cc1C#N ZINC000544529943 459765966 /nfs/dbraw/zinc/76/59/66/459765966.db2.gz OWECXTAWJUZXMT-FQEVSTJZSA-N 1 2 336.435 3.400 20 30 EGEDLO COc1ccc(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)cc1C#N ZINC000544529943 459765968 /nfs/dbraw/zinc/76/59/68/459765968.db2.gz OWECXTAWJUZXMT-FQEVSTJZSA-N 1 2 336.435 3.400 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000593155687 459790144 /nfs/dbraw/zinc/79/01/44/459790144.db2.gz SKDHBMDRPLGFCA-KRWDZBQOSA-N 1 2 331.416 3.128 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H](COCC)C2)cc1Cl ZINC000529667424 459833065 /nfs/dbraw/zinc/83/30/65/459833065.db2.gz VQYAMACLFQCHHJ-HNNXBMFYSA-N 1 2 325.836 3.142 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H](COCC)C2)cc1Cl ZINC000529667424 459833070 /nfs/dbraw/zinc/83/30/70/459833070.db2.gz VQYAMACLFQCHHJ-HNNXBMFYSA-N 1 2 325.836 3.142 20 30 EGEDLO COc1cc(C)ccc1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000597182962 459865901 /nfs/dbraw/zinc/86/59/01/459865901.db2.gz GSMDENWXSPXOEP-UHFFFAOYSA-N 1 2 327.453 3.259 20 30 EGEDLO N#CCCCCCC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000588148034 459918609 /nfs/dbraw/zinc/91/86/09/459918609.db2.gz JFYCKSWKPASSSU-UHFFFAOYSA-N 1 2 333.863 3.458 20 30 EGEDLO N#CCCCCCC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000588149487 459919204 /nfs/dbraw/zinc/91/92/04/459919204.db2.gz PECKPTXGVCGQFG-UHFFFAOYSA-N 1 2 333.863 3.458 20 30 EGEDLO C[C@@H](CCC#N)C[N@H+](C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000602484106 459961700 /nfs/dbraw/zinc/96/17/00/459961700.db2.gz HKLUEGBXQGFRMJ-SMDDNHRTSA-N 1 2 326.849 3.040 20 30 EGEDLO C[C@@H](CCC#N)C[N@@H+](C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000602484106 459961707 /nfs/dbraw/zinc/96/17/07/459961707.db2.gz HKLUEGBXQGFRMJ-SMDDNHRTSA-N 1 2 326.849 3.040 20 30 EGEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000598614173 459962478 /nfs/dbraw/zinc/96/24/78/459962478.db2.gz PEUVPSRWESWLJG-MRXNPFEDSA-N 1 2 331.847 3.411 20 30 EGEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000598614173 459962484 /nfs/dbraw/zinc/96/24/84/459962484.db2.gz PEUVPSRWESWLJG-MRXNPFEDSA-N 1 2 331.847 3.411 20 30 EGEDLO Cc1ccccc1-n1cc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)nn1 ZINC000588927275 460006334 /nfs/dbraw/zinc/00/63/34/460006334.db2.gz NMASUZFNFIAATG-UHFFFAOYSA-N 1 2 337.814 3.391 20 30 EGEDLO C[C@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1cccc(C#N)c1 ZINC000589437707 460087719 /nfs/dbraw/zinc/08/77/19/460087719.db2.gz BAEOAIXDVVEIPZ-INIZCTEOSA-N 1 2 344.418 3.223 20 30 EGEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(C3CCCC3)CC2)cc1 ZINC000610486564 460164130 /nfs/dbraw/zinc/16/41/30/460164130.db2.gz NNOWTYBSAUGNOW-UHFFFAOYSA-N 1 2 346.496 3.234 20 30 EGEDLO C[C@@H](CC#N)[NH2+]CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000602864615 460164773 /nfs/dbraw/zinc/16/47/73/460164773.db2.gz SDQHSWUKGDITFQ-IFXJQAMLSA-N 1 2 341.842 3.437 20 30 EGEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000594286760 460181460 /nfs/dbraw/zinc/18/14/60/460181460.db2.gz VSENFNUXNMYQSJ-LKFCYVNXSA-N 1 2 337.210 3.276 20 30 EGEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000594286760 460181466 /nfs/dbraw/zinc/18/14/66/460181466.db2.gz VSENFNUXNMYQSJ-LKFCYVNXSA-N 1 2 337.210 3.276 20 30 EGEDLO COc1ccc(C)cc1C[NH+]1CCN(Cc2ccc(C#N)s2)CC1 ZINC000611252922 460317505 /nfs/dbraw/zinc/31/75/05/460317505.db2.gz CQTHIHCQTWLXJZ-UHFFFAOYSA-N 1 2 341.480 3.255 20 30 EGEDLO COc1ccc(C)cc1CN1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000611252922 460317508 /nfs/dbraw/zinc/31/75/08/460317508.db2.gz CQTHIHCQTWLXJZ-UHFFFAOYSA-N 1 2 341.480 3.255 20 30 EGEDLO Cc1cc(NC(=O)N2CC[C@](F)(C#N)C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000615543047 460344998 /nfs/dbraw/zinc/34/49/98/460344998.db2.gz OSPBDDRUZOFXDR-KSSFIOAISA-N 1 2 345.422 3.238 20 30 EGEDLO Cc1cccn2cc(CC(=O)NCc3ccc(C#N)c(Cl)c3)[nH+]c12 ZINC000619765072 460437003 /nfs/dbraw/zinc/43/70/03/460437003.db2.gz VICUTGYCXYJTTA-UHFFFAOYSA-N 1 2 338.798 3.027 20 30 EGEDLO N#Cc1c[nH]nc1NC(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000601639794 460853510 /nfs/dbraw/zinc/85/35/10/460853510.db2.gz SOEDDWNRTKXMIU-UHFFFAOYSA-N 1 2 348.410 3.317 20 30 EGEDLO COCC#CC[N@@H+]1C[C@@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000644761898 462064872 /nfs/dbraw/zinc/06/48/72/462064872.db2.gz RHLIJAZYLGHXAS-CZUORRHYSA-N 1 2 327.346 3.117 20 30 EGEDLO COCC#CC[N@H+]1C[C@@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000644761898 462064876 /nfs/dbraw/zinc/06/48/76/462064876.db2.gz RHLIJAZYLGHXAS-CZUORRHYSA-N 1 2 327.346 3.117 20 30 EGEDLO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000657452042 462133925 /nfs/dbraw/zinc/13/39/25/462133925.db2.gz GKPQWPLXUHIKTD-UHFFFAOYSA-N 1 2 341.230 3.285 20 30 EGEDLO CC(C)(C)Oc1cc[nH+]cc1NC(=O)COc1ccccc1C#N ZINC000131808636 526593346 /nfs/dbraw/zinc/59/33/46/526593346.db2.gz TZVUHDGXERGTEH-UHFFFAOYSA-N 1 2 325.368 3.148 20 30 EGEDLO C=CC[C@@H](C(=O)N1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000187495490 527015128 /nfs/dbraw/zinc/01/51/28/527015128.db2.gz QFHKKXHIZANUFU-HXUWFJFHSA-N 1 2 335.451 3.086 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1Cc2ccccc21)C1CCOCC1 ZINC000329073906 547489871 /nfs/dbraw/zinc/48/98/71/547489871.db2.gz BBNUSWVGCNLAPB-DLBZAZTESA-N 1 2 325.412 3.184 20 30 EGEDLO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000333633826 547539455 /nfs/dbraw/zinc/53/94/55/547539455.db2.gz RIEHFJALTPJHLP-UBHSHLNASA-N 1 2 337.345 3.093 20 30 EGEDLO N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000333633827 547539748 /nfs/dbraw/zinc/53/97/48/547539748.db2.gz RIEHFJALTPJHLP-YUTCNCBUSA-N 1 2 337.345 3.093 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(C)cc2)nc1 ZINC000730098202 574919741 /nfs/dbraw/zinc/91/97/41/574919741.db2.gz ZIJRKZADBJNOKS-SFHVURJKSA-N 1 2 335.407 3.218 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(C)cc2)nc1 ZINC000730098202 574919744 /nfs/dbraw/zinc/91/97/44/574919744.db2.gz ZIJRKZADBJNOKS-SFHVURJKSA-N 1 2 335.407 3.218 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000730270902 574964765 /nfs/dbraw/zinc/96/47/65/574964765.db2.gz JWRUUJMYKHAUQT-FQEVSTJZSA-N 1 2 334.419 3.302 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000730270902 574964768 /nfs/dbraw/zinc/96/47/68/574964768.db2.gz JWRUUJMYKHAUQT-FQEVSTJZSA-N 1 2 334.419 3.302 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000730284059 574966005 /nfs/dbraw/zinc/96/60/05/574966005.db2.gz FATLOUZXTBBFHL-IBGZPJMESA-N 1 2 325.456 3.103 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000730284059 574966008 /nfs/dbraw/zinc/96/60/08/574966008.db2.gz FATLOUZXTBBFHL-IBGZPJMESA-N 1 2 325.456 3.103 20 30 EGEDLO N#Cc1ccc(F)c(COC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000732357310 575262264 /nfs/dbraw/zinc/26/22/64/575262264.db2.gz UCALBMBXPPLJCK-LJQANCHMSA-N 1 2 338.382 3.405 20 30 EGEDLO N#Cc1ccc(F)c(COC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000732357310 575262265 /nfs/dbraw/zinc/26/22/65/575262265.db2.gz UCALBMBXPPLJCK-LJQANCHMSA-N 1 2 338.382 3.405 20 30 EGEDLO C=CC[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccncc1 ZINC000734683838 575536862 /nfs/dbraw/zinc/53/68/62/575536862.db2.gz QUHXMYZREAWOKX-HOTGVXAUSA-N 1 2 325.416 3.011 20 30 EGEDLO CC(C)C[N@H+](CCC#N)Cc1cn2cc(Br)ccc2n1 ZINC000739915921 576518788 /nfs/dbraw/zinc/51/87/88/576518788.db2.gz UIUDENZHSKPCOL-UHFFFAOYSA-N 1 2 335.249 3.468 20 30 EGEDLO CC(C)C[N@@H+](CCC#N)Cc1cn2cc(Br)ccc2n1 ZINC000739915921 576518790 /nfs/dbraw/zinc/51/87/90/576518790.db2.gz UIUDENZHSKPCOL-UHFFFAOYSA-N 1 2 335.249 3.468 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccc(F)c2)c1=S ZINC000742173559 576755155 /nfs/dbraw/zinc/75/51/55/576755155.db2.gz RBQNFCPAFTYIBG-SWLSCSKDSA-N 1 2 333.436 3.175 20 30 EGEDLO C=CCn1nnn(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccc(F)c2)c1=S ZINC000742173559 576755157 /nfs/dbraw/zinc/75/51/57/576755157.db2.gz RBQNFCPAFTYIBG-SWLSCSKDSA-N 1 2 333.436 3.175 20 30 EGEDLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H](C)c2cccc(C#N)c2)c1C ZINC000743574586 576812432 /nfs/dbraw/zinc/81/24/32/576812432.db2.gz DQFBEMKVJWODTH-AWEZNQCLSA-N 1 2 338.411 3.139 20 30 EGEDLO C#CC[N@@H+](Cn1c2cc(C)nn2c2ccccc2c1=O)C1CCCCC1 ZINC000744153914 576821657 /nfs/dbraw/zinc/82/16/57/576821657.db2.gz QCZPACNTPSFASE-UHFFFAOYSA-N 1 2 348.450 3.183 20 30 EGEDLO C#CC[N@H+](Cn1c2cc(C)nn2c2ccccc2c1=O)C1CCCCC1 ZINC000744153914 576821658 /nfs/dbraw/zinc/82/16/58/576821658.db2.gz QCZPACNTPSFASE-UHFFFAOYSA-N 1 2 348.450 3.183 20 30 EGEDLO C#CC[N@@H+](CC(=O)N(C)[C@H]1CCCC[C@@H]1C)Cc1ccc(F)cc1 ZINC000744206451 576823050 /nfs/dbraw/zinc/82/30/50/576823050.db2.gz MPXUESIZMQIHGB-LPHOPBHVSA-N 1 2 330.447 3.298 20 30 EGEDLO C#CC[N@H+](CC(=O)N(C)[C@H]1CCCC[C@@H]1C)Cc1ccc(F)cc1 ZINC000744206451 576823051 /nfs/dbraw/zinc/82/30/51/576823051.db2.gz MPXUESIZMQIHGB-LPHOPBHVSA-N 1 2 330.447 3.298 20 30 EGEDLO CC[N@H+](C)[C@H](C(=O)OCc1ccc(OCC#N)cc1)c1ccccc1 ZINC000745099993 576841056 /nfs/dbraw/zinc/84/10/56/576841056.db2.gz JQFFKRKFBSUNCS-IBGZPJMESA-N 1 2 338.407 3.325 20 30 EGEDLO CC[N@@H+](C)[C@H](C(=O)OCc1ccc(OCC#N)cc1)c1ccccc1 ZINC000745099993 576841057 /nfs/dbraw/zinc/84/10/57/576841057.db2.gz JQFFKRKFBSUNCS-IBGZPJMESA-N 1 2 338.407 3.325 20 30 EGEDLO Cc1noc(C)c1C[NH+]1CCN(c2nc3ccccc3cc2C#N)CC1 ZINC000750023238 1299323579 /nfs/dbraw/zinc/32/35/79/1299323579.db2.gz VTOWLVLEOOEQED-UHFFFAOYSA-N 1 2 347.422 3.034 20 30 EGEDLO Cc1cc(Cl)ccc1NC(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000029464502 1291329823 /nfs/dbraw/zinc/32/98/23/1291329823.db2.gz ZEXBYBVPZRFZIK-UHFFFAOYSA-N 1 2 335.766 3.063 20 30 EGEDLO NC(=[NH+]OCc1ncc(-c2ccc(F)cc2)o1)c1ccc(F)cc1 ZINC000029464649 1291330376 /nfs/dbraw/zinc/33/03/76/1291330376.db2.gz FZEWTGNBNAGOHJ-UHFFFAOYSA-N 1 2 329.306 3.457 20 30 EGEDLO C=CC[N@H+](Cc1ccccc1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000054461671 1291752434 /nfs/dbraw/zinc/75/24/34/1291752434.db2.gz CSBALSODQOGAHC-UHFFFAOYSA-N 1 2 349.394 3.499 20 30 EGEDLO C=CC[N@@H+](Cc1ccccc1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000054461671 1291752439 /nfs/dbraw/zinc/75/24/39/1291752439.db2.gz CSBALSODQOGAHC-UHFFFAOYSA-N 1 2 349.394 3.499 20 30 EGEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000063281028 1292005740 /nfs/dbraw/zinc/00/57/40/1292005740.db2.gz LKCRZDLBEZHGOL-UHFFFAOYSA-N 1 2 347.378 3.462 20 30 EGEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000063281028 1292005750 /nfs/dbraw/zinc/00/57/50/1292005750.db2.gz LKCRZDLBEZHGOL-UHFFFAOYSA-N 1 2 347.378 3.462 20 30 EGEDLO C#CCOc1ccc(NC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000108523945 1293081820 /nfs/dbraw/zinc/08/18/20/1293081820.db2.gz ANPNBMWFDXKLIN-UHFFFAOYSA-N 1 2 338.411 3.107 20 30 EGEDLO C=CCn1c(=S)n(C[NH+]2CCCCCCC2)nc1-c1cnccn1 ZINC000133952959 1293757748 /nfs/dbraw/zinc/75/77/48/1293757748.db2.gz WYENVTSMIJZQOR-UHFFFAOYSA-N 1 2 344.488 3.281 20 30 EGEDLO C#CCOc1ccc(CNc2[nH+]c3ccccc3n2CCOC)cc1 ZINC000185844979 1295288946 /nfs/dbraw/zinc/28/89/46/1295288946.db2.gz AMPYTGQZGLRWTG-UHFFFAOYSA-N 1 2 335.407 3.307 20 30 EGEDLO N#Cc1ncc(C(F)(F)F)cc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000413194369 1297774822 /nfs/dbraw/zinc/77/48/22/1297774822.db2.gz BAMBVNBIFXGFBC-GFCCVEGCSA-N 1 2 333.317 3.058 20 30 EGEDLO CCOc1cc(C[NH2+]CCC#N)cc(Br)c1OC(F)F ZINC000425960972 1297809778 /nfs/dbraw/zinc/80/97/78/1297809778.db2.gz ZQWFXIFXTDXXLX-UHFFFAOYSA-N 1 2 349.175 3.452 20 30 EGEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc2ccoc2)cc1 ZINC000745983480 1298507951 /nfs/dbraw/zinc/50/79/51/1298507951.db2.gz RFYNKTRQAZXTBF-INIZCTEOSA-N 1 2 325.412 3.355 20 30 EGEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc2ccoc2)cc1 ZINC000745983480 1298507961 /nfs/dbraw/zinc/50/79/61/1298507961.db2.gz RFYNKTRQAZXTBF-INIZCTEOSA-N 1 2 325.412 3.355 20 30 EGEDLO C=CCNc1nc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC000748499072 1299025743 /nfs/dbraw/zinc/02/57/43/1299025743.db2.gz UABRHUURNSYZNY-UHFFFAOYSA-N 1 2 340.408 3.284 20 30 EGEDLO Cc1c(C(=O)/C=C\c2c[nH+]c3cccc(C)n23)nnn1-c1ccccc1 ZINC000748998465 1299122497 /nfs/dbraw/zinc/12/24/97/1299122497.db2.gz PXMRXUQNHMGSKZ-QXMHVHEDSA-N 1 2 343.390 3.428 20 30 EGEDLO C#CCCCCCC[NH2+]c1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000877774352 1299548563 /nfs/dbraw/zinc/54/85/63/1299548563.db2.gz IEGOYXJJPRATHY-UHFFFAOYSA-N 1 2 327.472 3.351 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[NH+]2C[C@H](C)[C@@H](C)C2)c1=S ZINC000751926497 1299656052 /nfs/dbraw/zinc/65/60/52/1299656052.db2.gz UANUBNJBWURYAD-KBPBESRZSA-N 1 2 329.473 3.207 20 30 EGEDLO Cc1ccccc1-c1cnc(CO[NH+]=C(N)c2ccc3c(c2)CCO3)o1 ZINC000753829130 1300026698 /nfs/dbraw/zinc/02/66/98/1300026698.db2.gz DZBJLFJWINCCNE-UHFFFAOYSA-N 1 2 349.390 3.422 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000758034113 1300776111 /nfs/dbraw/zinc/77/61/11/1300776111.db2.gz DOWRNHVDIOWMGV-JKSUJKDBSA-N 1 2 340.427 3.017 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C ZINC000758875566 1300968864 /nfs/dbraw/zinc/96/88/64/1300968864.db2.gz MMPYFBIIPPNMIO-XLIONFOSSA-N 1 2 339.483 3.410 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C ZINC000758875566 1300968871 /nfs/dbraw/zinc/96/88/71/1300968871.db2.gz MMPYFBIIPPNMIO-XLIONFOSSA-N 1 2 339.483 3.410 20 30 EGEDLO C[C@H]1CCN(C(=O)Nc2cc(C#N)c(F)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000880714423 1301238466 /nfs/dbraw/zinc/23/84/66/1301238466.db2.gz QAGQFTYVRGLXQV-MEDUHNTESA-N 1 2 345.353 3.148 20 30 EGEDLO N#Cc1cccc(Oc2ccnc(N3CCC[C@H](n4cc[nH+]c4)C3)n2)c1 ZINC000881916047 1301756097 /nfs/dbraw/zinc/75/60/97/1301756097.db2.gz JZXMJVSHQCPKIL-INIZCTEOSA-N 1 2 346.394 3.179 20 30 EGEDLO C#CCCOc1ccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000768223687 1302857628 /nfs/dbraw/zinc/85/76/28/1302857628.db2.gz OPXJYTGXZJHSQV-UHFFFAOYSA-N 1 2 344.455 3.141 20 30 EGEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cc(OC)ccc1OCOC ZINC000769146273 1303056517 /nfs/dbraw/zinc/05/65/17/1303056517.db2.gz QSXGXLFDXQYFEX-UHFFFAOYSA-N 1 2 343.398 3.452 20 30 EGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(OC)ccc1OCOC ZINC000769146273 1303056518 /nfs/dbraw/zinc/05/65/18/1303056518.db2.gz QSXGXLFDXQYFEX-UHFFFAOYSA-N 1 2 343.398 3.452 20 30 EGEDLO C=CCNc1ncc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)s1 ZINC000770996600 1303344175 /nfs/dbraw/zinc/34/41/75/1303344175.db2.gz AWCLXSZCZIYHAJ-UHFFFAOYSA-N 1 2 343.387 3.318 20 30 EGEDLO C#CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H]1CCc2ccccc21 ZINC000771796058 1303444382 /nfs/dbraw/zinc/44/43/82/1303444382.db2.gz KIPOQQARWRYVCD-LJQANCHMSA-N 1 2 347.418 3.329 20 30 EGEDLO C#CC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H]1CCc2ccccc21 ZINC000771796058 1303444390 /nfs/dbraw/zinc/44/43/90/1303444390.db2.gz KIPOQQARWRYVCD-LJQANCHMSA-N 1 2 347.418 3.329 20 30 EGEDLO Cc1c(C(=O)/C=C/c2c[nH+]c3ccc(C)cn23)nnn1-c1ccccc1 ZINC000771862486 1303451587 /nfs/dbraw/zinc/45/15/87/1303451587.db2.gz YPZWNSYDLBRWMQ-MDZDMXLPSA-N 1 2 343.390 3.428 20 30 EGEDLO N#CCC[N@H+](CCN1CCOCC1)Cc1ccccc1-c1ccccc1 ZINC000771932168 1303463363 /nfs/dbraw/zinc/46/33/63/1303463363.db2.gz VKZZUNWQDKDPOJ-UHFFFAOYSA-N 1 2 349.478 3.401 20 30 EGEDLO N#CCC[N@@H+](CCN1CCOCC1)Cc1ccccc1-c1ccccc1 ZINC000771932168 1303463368 /nfs/dbraw/zinc/46/33/68/1303463368.db2.gz VKZZUNWQDKDPOJ-UHFFFAOYSA-N 1 2 349.478 3.401 20 30 EGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccccc1-c1ccccc1 ZINC000771932168 1303463370 /nfs/dbraw/zinc/46/33/70/1303463370.db2.gz VKZZUNWQDKDPOJ-UHFFFAOYSA-N 1 2 349.478 3.401 20 30 EGEDLO N#Cc1ccc(OCc2cccc(C(=O)OCCn3cc[nH+]c3)c2)cc1 ZINC000771964485 1303467764 /nfs/dbraw/zinc/46/77/64/1303467764.db2.gz JNOVELKBYOZBSI-UHFFFAOYSA-N 1 2 347.374 3.191 20 30 EGEDLO C=CCC1(O)CC[NH+]([C@@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000886766834 1303590597 /nfs/dbraw/zinc/59/05/97/1303590597.db2.gz SLUYFXVKWVBRHB-HNNXBMFYSA-N 1 2 327.428 3.124 20 30 EGEDLO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2nnc(-c3ccccc3)[nH]2)cc1 ZINC000774816222 1303862204 /nfs/dbraw/zinc/86/22/04/1303862204.db2.gz VLRLDTJLOKUKKS-AWEZNQCLSA-N 1 2 333.395 3.052 20 30 EGEDLO C#C[C@H]([NH2+][C@@H](C)c1nnn(-c2ccc(Cl)cc2)c1C)[C@H]1CCCO1 ZINC000775572277 1303986988 /nfs/dbraw/zinc/98/69/88/1303986988.db2.gz QMLAWUUJVLJMGB-AFAVFJNCSA-N 1 2 344.846 3.061 20 30 EGEDLO C=C(Br)C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000775741009 1304025197 /nfs/dbraw/zinc/02/51/97/1304025197.db2.gz JQYWKYYWGLLDSO-UHFFFAOYSA-N 1 2 328.225 3.104 20 30 EGEDLO C#C[C@H]([NH2+]Cc1c(C)nn(Cc2ccccc2)c1Cl)[C@H]1CCCO1 ZINC000775798042 1304039667 /nfs/dbraw/zinc/03/96/67/1304039667.db2.gz HKHOOTAQIXZLMO-ZWKOTPCHSA-N 1 2 343.858 3.164 20 30 EGEDLO Cc1cc2ccccc2nc1N[NH+]=Cc1ccc(N(C)CCO)cc1 ZINC000776784639 1304198930 /nfs/dbraw/zinc/19/89/30/1304198930.db2.gz MLHVBLMFMNERQO-UHFFFAOYSA-N 1 2 334.423 3.418 20 30 EGEDLO C[NH+](C)[C@H](C(=O)OCCCOc1cccc(C#N)c1)c1ccccc1 ZINC000780092118 1304637230 /nfs/dbraw/zinc/63/72/30/1304637230.db2.gz LNFDFRRGCZXMFM-IBGZPJMESA-N 1 2 338.407 3.173 20 30 EGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000780161229 1304647093 /nfs/dbraw/zinc/64/70/93/1304647093.db2.gz ILPPEORRGTYOQR-OAHLLOKOSA-N 1 2 346.390 3.475 20 30 EGEDLO C[NH+](C)c1ccc(N2CCC(N=Nc3ccnc(F)c3)CC2)cc1 ZINC000781129751 1304775383 /nfs/dbraw/zinc/77/53/83/1304775383.db2.gz JVRWNZBYDGDGDM-UHFFFAOYSA-N 1 2 327.407 3.355 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788246173 1305905726 /nfs/dbraw/zinc/90/57/26/1305905726.db2.gz PTIDZXKCTSVDJK-GOEBONIOSA-N 1 2 345.487 3.412 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788246173 1305905733 /nfs/dbraw/zinc/90/57/33/1305905733.db2.gz PTIDZXKCTSVDJK-GOEBONIOSA-N 1 2 345.487 3.412 20 30 EGEDLO CC(=[NH+]Nc1ncccc1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000790192842 1306274633 /nfs/dbraw/zinc/27/46/33/1306274633.db2.gz GUIXTDIWXZGREX-UHFFFAOYSA-N 1 2 328.391 3.202 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000790931855 1308888628 /nfs/dbraw/zinc/88/86/28/1308888628.db2.gz LTCSVUPYIKTEFA-DOXZYTNZSA-N 1 2 349.858 3.120 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000790931855 1308888640 /nfs/dbraw/zinc/88/86/40/1308888640.db2.gz LTCSVUPYIKTEFA-DOXZYTNZSA-N 1 2 349.858 3.120 20 30 EGEDLO N#Cc1ccccc1OCc1ccc(C(=O)OCc2cc[nH+]c(N)c2)o1 ZINC000791753885 1309057439 /nfs/dbraw/zinc/05/74/39/1309057439.db2.gz JDAZBAPGBHEWIQ-UHFFFAOYSA-N 1 2 349.346 3.064 20 30 EGEDLO COc1ccc(N[NH2+]C2=CC(=O)N3CCCC[C@H]23)c(C(F)(F)F)c1 ZINC000793099596 1309295291 /nfs/dbraw/zinc/29/52/91/1309295291.db2.gz UHYZUCSEIJTELJ-CQSZACIVSA-N 1 2 341.333 3.267 20 30 EGEDLO COc1ccc(C(N)=[NH+]OCc2cc(C)ccc2OC(F)F)cc1 ZINC000793832592 1309448237 /nfs/dbraw/zinc/44/82/37/1309448237.db2.gz NMQXPYREEOXEGF-UHFFFAOYSA-N 1 2 336.338 3.442 20 30 EGEDLO Cc1ccc([C@@H]2CC[N@@H+](Cn3nc(CC#N)n(C)c3=S)C2)c(C)c1 ZINC000794654431 1309564945 /nfs/dbraw/zinc/56/49/45/1309564945.db2.gz HABRBWCFIQMGOL-OAHLLOKOSA-N 1 2 341.484 3.081 20 30 EGEDLO Cc1ccc([C@@H]2CC[N@H+](Cn3nc(CC#N)n(C)c3=S)C2)c(C)c1 ZINC000794654431 1309564954 /nfs/dbraw/zinc/56/49/54/1309564954.db2.gz HABRBWCFIQMGOL-OAHLLOKOSA-N 1 2 341.484 3.081 20 30 EGEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(Cl)nc(Cl)c3)C2)nc1 ZINC000794830997 1309603780 /nfs/dbraw/zinc/60/37/80/1309603780.db2.gz BDMNVHOMQXDGCS-ZDUSSCGKSA-N 1 2 349.221 3.308 20 30 EGEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(Cl)nc(Cl)c3)C2)nc1 ZINC000794830997 1309603786 /nfs/dbraw/zinc/60/37/86/1309603786.db2.gz BDMNVHOMQXDGCS-ZDUSSCGKSA-N 1 2 349.221 3.308 20 30 EGEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(F)(F)CC2)cc1 ZINC000796543636 1310026284 /nfs/dbraw/zinc/02/62/84/1310026284.db2.gz ZTNJCGHSJSUDSW-HNNXBMFYSA-N 1 2 335.398 3.361 20 30 EGEDLO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000798275787 1310332548 /nfs/dbraw/zinc/33/25/48/1310332548.db2.gz URHWZIKGIKKWJB-GOEBONIOSA-N 1 2 349.862 3.497 20 30 EGEDLO Cc1ccc(C)c(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 ZINC000798274268 1310332926 /nfs/dbraw/zinc/33/29/26/1310332926.db2.gz BQXXVBQCSRNFSR-DLBZAZTESA-N 1 2 329.444 3.152 20 30 EGEDLO CCCCCCCNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000858111839 1328685412 /nfs/dbraw/zinc/68/54/12/1328685412.db2.gz VNZAELAXMFUVTM-KRWDZBQOSA-N 1 2 332.492 3.440 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cscc2C(F)(F)F)C1 ZINC000957471505 1317384157 /nfs/dbraw/zinc/38/41/57/1317384157.db2.gz JRZADTRRKHHCPQ-UHFFFAOYSA-N 1 2 332.391 3.489 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc3cccc(Cl)c3o2)C1 ZINC000957469119 1317384882 /nfs/dbraw/zinc/38/48/82/1317384882.db2.gz HRZHTYZXKVPCSQ-UHFFFAOYSA-N 1 2 330.815 3.256 20 30 EGEDLO Cc1nc(/C=C2\CSC/C(=C\c3[nH]c(C)c(C)[nH+]3)C2=O)[nH]c1C ZINC000901440471 1317426305 /nfs/dbraw/zinc/42/63/05/1317426305.db2.gz VISPRDAEQZGEMR-ACFHMISVSA-N 1 2 328.441 3.149 20 30 EGEDLO COc1cc(NC(C)=O)ccc1C(=O)/C=C/c1c[nH+]cn1C(C)C ZINC000901486711 1317434726 /nfs/dbraw/zinc/43/47/26/1317434726.db2.gz QFWZZJSEPXWVOP-SOFGYWHQSA-N 1 2 327.384 3.327 20 30 EGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cnnn1-c1ccccc1 ZINC000807969957 1317605436 /nfs/dbraw/zinc/60/54/36/1317605436.db2.gz QIAWBKBQSSTSPX-UHFFFAOYSA-N 1 2 328.379 3.074 20 30 EGEDLO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccccc1I ZINC000903099989 1317652779 /nfs/dbraw/zinc/65/27/79/1317652779.db2.gz FECKPGOSWHWQCN-SNVBAGLBSA-N 1 2 328.197 3.492 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1CC[C@H](Cc2ccccc2)C1=O ZINC000811732094 1318242312 /nfs/dbraw/zinc/24/23/12/1318242312.db2.gz MQOAINSSHAQHCJ-HXUWFJFHSA-N 1 2 333.435 3.039 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1CC[C@H](Cc2ccccc2)C1=O ZINC000811732094 1318242318 /nfs/dbraw/zinc/24/23/18/1318242318.db2.gz MQOAINSSHAQHCJ-HXUWFJFHSA-N 1 2 333.435 3.039 20 30 EGEDLO C=CCCCCCCCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000811897779 1318287172 /nfs/dbraw/zinc/28/71/72/1318287172.db2.gz HHPULKIBXINGTB-QGZVFWFLSA-N 1 2 330.476 3.486 20 30 EGEDLO COc1ccc(C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)cc1C#N ZINC000813859199 1318643817 /nfs/dbraw/zinc/64/38/17/1318643817.db2.gz PSGYJLBKVYRHAS-KRWDZBQOSA-N 1 2 325.416 3.096 20 30 EGEDLO C/C=C(/C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000960530741 1318648125 /nfs/dbraw/zinc/64/81/25/1318648125.db2.gz HGNAJNRVDIZDDU-XLIOAAOLSA-N 1 2 329.419 3.086 20 30 EGEDLO C/C=C(/C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000960530741 1318648135 /nfs/dbraw/zinc/64/81/35/1318648135.db2.gz HGNAJNRVDIZDDU-XLIOAAOLSA-N 1 2 329.419 3.086 20 30 EGEDLO CCc1ccc(C#CC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000814400670 1318734511 /nfs/dbraw/zinc/73/45/11/1318734511.db2.gz UVSLABWSEBHOSD-NRFANRHFSA-N 1 2 332.447 3.116 20 30 EGEDLO CCc1ccc(C#CC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000814400670 1318734521 /nfs/dbraw/zinc/73/45/21/1318734521.db2.gz UVSLABWSEBHOSD-NRFANRHFSA-N 1 2 332.447 3.116 20 30 EGEDLO C[N@@H+](Cc1c(F)cccc1Cl)C[C@H]1CCCN1C(=O)C#CC1CC1 ZINC000960615699 1318743599 /nfs/dbraw/zinc/74/35/99/1318743599.db2.gz YKKRLRAGRCNTLZ-OAHLLOKOSA-N 1 2 348.849 3.315 20 30 EGEDLO C[N@H+](Cc1c(F)cccc1Cl)C[C@H]1CCCN1C(=O)C#CC1CC1 ZINC000960615699 1318743602 /nfs/dbraw/zinc/74/36/02/1318743602.db2.gz YKKRLRAGRCNTLZ-OAHLLOKOSA-N 1 2 348.849 3.315 20 30 EGEDLO CC(N=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(N)[nH+]c1 ZINC000814697262 1318800554 /nfs/dbraw/zinc/80/05/54/1318800554.db2.gz GRSSHXRXNWIBJE-UHFFFAOYSA-N 1 2 339.277 3.427 20 30 EGEDLO Nc1ccc2c(c1)C(=[NH+]NC(=S)NCCc1cccs1)CCC2 ZINC000814793501 1318818287 /nfs/dbraw/zinc/81/82/87/1318818287.db2.gz RVOYRZSTBZQMHZ-UHFFFAOYSA-N 1 2 344.509 3.078 20 30 EGEDLO CC(=[NH+]Nc1ccc(F)c([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ccc1N ZINC000814904714 1318844155 /nfs/dbraw/zinc/84/41/55/1318844155.db2.gz VXYRQYNZPMYNQX-UHFFFAOYSA-N 1 2 333.279 3.060 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)[C@H](C)c1nc(C(C)C)no1 ZINC000960790151 1318893944 /nfs/dbraw/zinc/89/39/44/1318893944.db2.gz KZDTXTNEIUWFSX-CABCVRRESA-N 1 2 348.491 3.389 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)[C@H](C)c1nc(C(C)C)no1 ZINC000960790151 1318893958 /nfs/dbraw/zinc/89/39/58/1318893958.db2.gz KZDTXTNEIUWFSX-CABCVRRESA-N 1 2 348.491 3.389 20 30 EGEDLO CC(C)[C@H](F)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000960801020 1318913824 /nfs/dbraw/zinc/91/38/24/1318913824.db2.gz CCZAUVSUDCPSJI-MSOLQXFVSA-N 1 2 349.425 3.114 20 30 EGEDLO CC(C)[C@H](F)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000960801020 1318913826 /nfs/dbraw/zinc/91/38/26/1318913826.db2.gz CCZAUVSUDCPSJI-MSOLQXFVSA-N 1 2 349.425 3.114 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ncc(CC)o1 ZINC000960830384 1318959917 /nfs/dbraw/zinc/95/99/17/1318959917.db2.gz BHFAOFKGWIUXGU-BEFAXECRSA-N 1 2 333.476 3.262 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ncc(CC)o1 ZINC000960830384 1318959936 /nfs/dbraw/zinc/95/99/36/1318959936.db2.gz BHFAOFKGWIUXGU-BEFAXECRSA-N 1 2 333.476 3.262 20 30 EGEDLO CC(C)[C@H](C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000960905046 1319046085 /nfs/dbraw/zinc/04/60/85/1319046085.db2.gz IAPGLBWPJKNRHM-HNAYVOBHSA-N 1 2 345.462 3.412 20 30 EGEDLO CC(C)[C@H](C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000960905046 1319046094 /nfs/dbraw/zinc/04/60/94/1319046094.db2.gz IAPGLBWPJKNRHM-HNAYVOBHSA-N 1 2 345.462 3.412 20 30 EGEDLO CC(C)[C@@H](C/N=C\c1cc([N+](=O)[O-])ccc1O)[NH+]1CCC(C)CC1 ZINC000915113261 1319424306 /nfs/dbraw/zinc/42/43/06/1319424306.db2.gz SMCAQQGHJLCFAS-HPKGMJOESA-N 1 2 333.432 3.476 20 30 EGEDLO C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC000961367041 1319524818 /nfs/dbraw/zinc/52/48/18/1319524818.db2.gz LVVPQCVHIXSOIF-KGLIPLIRSA-N 1 2 336.373 3.023 20 30 EGEDLO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC000961367041 1319524826 /nfs/dbraw/zinc/52/48/26/1319524826.db2.gz LVVPQCVHIXSOIF-KGLIPLIRSA-N 1 2 336.373 3.023 20 30 EGEDLO C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](F)C(F)(F)F)CC2)C1 ZINC000961367041 1319524833 /nfs/dbraw/zinc/52/48/33/1319524833.db2.gz LVVPQCVHIXSOIF-KGLIPLIRSA-N 1 2 336.373 3.023 20 30 EGEDLO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](F)C(F)(F)F)CC2)C1 ZINC000961367041 1319524838 /nfs/dbraw/zinc/52/48/38/1319524838.db2.gz LVVPQCVHIXSOIF-KGLIPLIRSA-N 1 2 336.373 3.023 20 30 EGEDLO COc1ccccc1NC(=S)N[NH+]=C(C)c1ccc(N(C)C)cc1 ZINC000915928062 1319564002 /nfs/dbraw/zinc/56/40/02/1319564002.db2.gz PPGGWRCKRORXDV-UHFFFAOYSA-N 1 2 342.468 3.472 20 30 EGEDLO CCOc1ccc(NC(=S)N[NH+]=Cc2ccc(N(C)C)cc2)cc1 ZINC000915926740 1319564045 /nfs/dbraw/zinc/56/40/45/1319564045.db2.gz PNCHKCSTEOVFQS-UHFFFAOYSA-N 1 2 342.468 3.472 20 30 EGEDLO Cc1cc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)c(C)n1Cc1ccccc1 ZINC000819809625 1319790056 /nfs/dbraw/zinc/79/00/56/1319790056.db2.gz VNQMXYGEFBRXTA-BGYRXZFFSA-N 1 2 349.482 3.347 20 30 EGEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)Cn1c2ccccc2n(C)c1=O ZINC000917457154 1319815152 /nfs/dbraw/zinc/81/51/52/1319815152.db2.gz BCEIJYNSMFRTSM-UHFFFAOYSA-N 1 2 334.423 3.081 20 30 EGEDLO CCC[N@H+](Cc1ccc(C#N)cc1)Cn1c2ccccc2n(C)c1=O ZINC000917457154 1319815160 /nfs/dbraw/zinc/81/51/60/1319815160.db2.gz BCEIJYNSMFRTSM-UHFFFAOYSA-N 1 2 334.423 3.081 20 30 EGEDLO NC(=[NH+]OCC1CC(F)(F)C1)c1ccc(OCc2cccnc2)cc1 ZINC000842026468 1321336836 /nfs/dbraw/zinc/33/68/36/1321336836.db2.gz DHIDRMCAFIAPOX-UHFFFAOYSA-N 1 2 347.365 3.343 20 30 EGEDLO N#CCc1cccc(C(=O)OCC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000851398438 1323032056 /nfs/dbraw/zinc/03/20/56/1323032056.db2.gz AJECKYPECQGMJF-UHFFFAOYSA-N 1 2 335.407 3.221 20 30 EGEDLO C=C(C)[C@H](CC(=O)OCC1CCN(c2cccc[nH+]2)CC1)OCC ZINC000851400358 1323033003 /nfs/dbraw/zinc/03/30/03/1323033003.db2.gz ZSQBLGDSVZDTAA-KRWDZBQOSA-N 1 2 332.444 3.213 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn2ccccc12 ZINC001024547463 1323488769 /nfs/dbraw/zinc/48/87/69/1323488769.db2.gz LQNBRSZQVJFLAB-HNNXBMFYSA-N 1 2 331.847 3.276 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccn2ccccc12 ZINC001024547463 1323488771 /nfs/dbraw/zinc/48/87/71/1323488771.db2.gz LQNBRSZQVJFLAB-HNNXBMFYSA-N 1 2 331.847 3.276 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCOc2ccccc21 ZINC001024712403 1323619637 /nfs/dbraw/zinc/61/96/37/1323619637.db2.gz WXMKQPQXNZMUMA-NVXWUHKLSA-N 1 2 348.874 3.276 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCOc2ccccc21 ZINC001024712403 1323619643 /nfs/dbraw/zinc/61/96/43/1323619643.db2.gz WXMKQPQXNZMUMA-NVXWUHKLSA-N 1 2 348.874 3.276 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1c(F)cccc1F ZINC001024778150 1323679919 /nfs/dbraw/zinc/67/99/19/1323679919.db2.gz UWKYDAXDIXRJRV-GFCCVEGCSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(F)cccc1F ZINC001024778150 1323679926 /nfs/dbraw/zinc/67/99/26/1323679926.db2.gz UWKYDAXDIXRJRV-GFCCVEGCSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCCC[C@H]1C[NH2+]Cc1nnc(C(C)C)o1 ZINC001025038083 1323840776 /nfs/dbraw/zinc/84/07/76/1323840776.db2.gz QMIZUZHDRMNBEC-HNNXBMFYSA-N 1 2 348.491 3.266 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001025041026 1323842883 /nfs/dbraw/zinc/84/28/83/1323842883.db2.gz RGHBSSMIPKVZBB-CQSZACIVSA-N 1 2 348.491 3.050 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCCC[C@H]1C[NH2+]Cc1nc(CCC)no1 ZINC001025070156 1323872260 /nfs/dbraw/zinc/87/22/60/1323872260.db2.gz VJLDBNHHEGIVBK-KXBFYZLASA-N 1 2 348.491 3.095 20 30 EGEDLO CCCCOc1ccc(C=NOCc2ccc[nH+]c2N)cc1OC ZINC000853642838 1325140014 /nfs/dbraw/zinc/14/00/14/1325140014.db2.gz ACSGXZJXCFCKGX-UHFFFAOYSA-N 1 2 329.400 3.402 20 30 EGEDLO CCOc1c(Cl)cc(C=NOCc2ccc[nH+]c2N)cc1OC ZINC000853645017 1325140146 /nfs/dbraw/zinc/14/01/46/1325140146.db2.gz JNXFGAXEXCPGBB-UHFFFAOYSA-N 1 2 335.791 3.275 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000853671499 1325145132 /nfs/dbraw/zinc/14/51/32/1325145132.db2.gz VYCGYWWZPNONJO-QGZVFWFLSA-N 1 2 347.422 3.236 20 30 EGEDLO NC(=[NH+]OCc1cc(C2CC2)no1)c1ccc(Br)cc1 ZINC000853684888 1325147476 /nfs/dbraw/zinc/14/74/76/1325147476.db2.gz LFWPAUSUWAKUIA-UHFFFAOYSA-N 1 2 336.189 3.152 20 30 EGEDLO CC[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1cccc(C#N)c1O ZINC000925737885 1325276121 /nfs/dbraw/zinc/27/61/21/1325276121.db2.gz UFOYJZXTPRSHET-QGZVFWFLSA-N 1 2 338.411 3.059 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCC2CCC2)C1 ZINC001027358489 1325537568 /nfs/dbraw/zinc/53/75/68/1325537568.db2.gz MENAFEBAFGAIFT-OAHLLOKOSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)CCC2CCC2)C1 ZINC001027358489 1325537571 /nfs/dbraw/zinc/53/75/71/1325537571.db2.gz MENAFEBAFGAIFT-OAHLLOKOSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2cc(C)co2)C1 ZINC001027540518 1327841125 /nfs/dbraw/zinc/84/11/25/1327841125.db2.gz YQBRXRIOJVYEAT-CYBMUJFWSA-N 1 2 341.249 3.033 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cc(C)co2)C1 ZINC001027540518 1327841135 /nfs/dbraw/zinc/84/11/35/1327841135.db2.gz YQBRXRIOJVYEAT-CYBMUJFWSA-N 1 2 341.249 3.033 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3ncc(CC)o3)C2)C1 ZINC001027567397 1327895009 /nfs/dbraw/zinc/89/50/09/1327895009.db2.gz VMKYTXJMXJOAMS-OAHLLOKOSA-N 1 2 331.460 3.016 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@H+](C)Cc3ncc(CC)o3)C2)C1 ZINC001027567397 1327895019 /nfs/dbraw/zinc/89/50/19/1327895019.db2.gz VMKYTXJMXJOAMS-OAHLLOKOSA-N 1 2 331.460 3.016 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C)C(C)C)C1 ZINC001027605956 1327964445 /nfs/dbraw/zinc/96/44/45/1327964445.db2.gz ZGTFHTYOYAFOEJ-KGLIPLIRSA-N 1 2 331.298 3.110 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)C(C)C)C1 ZINC001027605956 1327964451 /nfs/dbraw/zinc/96/44/51/1327964451.db2.gz ZGTFHTYOYAFOEJ-KGLIPLIRSA-N 1 2 331.298 3.110 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc(OCCC)c1 ZINC001027916597 1328395129 /nfs/dbraw/zinc/39/51/29/1328395129.db2.gz PPVCKHUHWNKEJM-INIZCTEOSA-N 1 2 336.863 3.422 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(OCCC)c1 ZINC001027916597 1328395137 /nfs/dbraw/zinc/39/51/37/1328395137.db2.gz PPVCKHUHWNKEJM-INIZCTEOSA-N 1 2 336.863 3.422 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COc2cc(C)c(C)cc21 ZINC001028048202 1328513379 /nfs/dbraw/zinc/51/33/79/1328513379.db2.gz AEKHTPNPCTVMHR-NVXWUHKLSA-N 1 2 348.874 3.113 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COc2cc(C)c(C)cc21 ZINC001028048202 1328513384 /nfs/dbraw/zinc/51/33/84/1328513384.db2.gz AEKHTPNPCTVMHR-NVXWUHKLSA-N 1 2 348.874 3.113 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)nc1C(C)C ZINC001028055643 1328521058 /nfs/dbraw/zinc/52/10/58/1328521058.db2.gz ZNSIKWPCDVZCHP-OAHLLOKOSA-N 1 2 335.879 3.460 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)nc1C(C)C ZINC001028055643 1328521062 /nfs/dbraw/zinc/52/10/62/1328521062.db2.gz ZNSIKWPCDVZCHP-OAHLLOKOSA-N 1 2 335.879 3.460 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CCN(c3cc(C)[nH+]c(C(C)C)n3)C2)C1 ZINC001063028521 1351705139 /nfs/dbraw/zinc/70/51/39/1351705139.db2.gz OOMLHRGFSJBEHG-INIZCTEOSA-N 1 2 342.487 3.302 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000933859180 1329929099 /nfs/dbraw/zinc/92/90/99/1329929099.db2.gz FPQFOJDYDOZMHC-LPHOPBHVSA-N 1 2 330.391 3.475 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccoc2)C(C)(C)C1 ZINC000940575191 1331116251 /nfs/dbraw/zinc/11/62/51/1331116251.db2.gz YXTICNRALQILJV-ZDUSSCGKSA-N 1 2 341.249 3.019 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccoc2)C(C)(C)C1 ZINC000940575191 1331116253 /nfs/dbraw/zinc/11/62/53/1331116253.db2.gz YXTICNRALQILJV-ZDUSSCGKSA-N 1 2 341.249 3.019 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3ncc(C4CC4)o3)C[C@H]2C)C1 ZINC000942602191 1331998850 /nfs/dbraw/zinc/99/88/50/1331998850.db2.gz FNGXKVYZOOVASL-GDBMZVCRSA-N 1 2 343.471 3.235 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3ncc(C4CC4)o3)C[C@H]2C)C1 ZINC000942602191 1331998853 /nfs/dbraw/zinc/99/88/53/1331998853.db2.gz FNGXKVYZOOVASL-GDBMZVCRSA-N 1 2 343.471 3.235 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001063294466 1351799883 /nfs/dbraw/zinc/79/98/83/1351799883.db2.gz CTIKZPDMEHRYNK-APWZRJJASA-N 1 2 330.476 3.428 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccccc2)C[C@H]1C ZINC000947006346 1332968018 /nfs/dbraw/zinc/96/80/18/1332968018.db2.gz ZUVJWQCGVZPVPY-HIFRSBDPSA-N 1 2 337.261 3.178 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2)C[C@H]1C ZINC000947006346 1332968020 /nfs/dbraw/zinc/96/80/20/1332968020.db2.gz ZUVJWQCGVZPVPY-HIFRSBDPSA-N 1 2 337.261 3.178 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C2CC(C)(C)C2)C[C@H]1C ZINC000947271889 1333072842 /nfs/dbraw/zinc/07/28/42/1333072842.db2.gz OUUMSATZKYQHHQ-TZMCWYRMSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C2CC(C)(C)C2)C[C@H]1C ZINC000947271889 1333072843 /nfs/dbraw/zinc/07/28/43/1333072843.db2.gz OUUMSATZKYQHHQ-TZMCWYRMSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2(C3CC3)CC2)C[C@H]1C ZINC000947425344 1333122529 /nfs/dbraw/zinc/12/25/29/1333122529.db2.gz IKSYINAEDLWCAA-OCCSQVGLSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2(C3CC3)CC2)C[C@H]1C ZINC000947425344 1333122530 /nfs/dbraw/zinc/12/25/30/1333122530.db2.gz IKSYINAEDLWCAA-OCCSQVGLSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3coc(C)n3)[C@H](C)C2)CC1 ZINC000947690264 1333225028 /nfs/dbraw/zinc/22/50/28/1333225028.db2.gz SVWOXQVWCCWBEA-PBHICJAKSA-N 1 2 331.460 3.199 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3coc(C)n3)[C@H](C)C2)CC1 ZINC000947690264 1333225032 /nfs/dbraw/zinc/22/50/32/1333225032.db2.gz SVWOXQVWCCWBEA-PBHICJAKSA-N 1 2 331.460 3.199 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](N(C)C(=O)c2cccc3n[nH]cc32)CC1 ZINC000948665801 1333620614 /nfs/dbraw/zinc/62/06/14/1333620614.db2.gz RQDOKDSCSURGRR-AWEZNQCLSA-N 1 2 346.862 3.242 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)c2cccc3n[nH]cc32)CC1 ZINC000948665801 1333620615 /nfs/dbraw/zinc/62/06/15/1333620615.db2.gz RQDOKDSCSURGRR-AWEZNQCLSA-N 1 2 346.862 3.242 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CCC[N@H+](Cc3nnc(C)s3)CC2)C1 ZINC000948747056 1333657789 /nfs/dbraw/zinc/65/77/89/1333657789.db2.gz NHEBILWOVAJQQM-HNNXBMFYSA-N 1 2 348.516 3.016 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3nnc(C)s3)CC2)C1 ZINC000948747056 1333657793 /nfs/dbraw/zinc/65/77/93/1333657793.db2.gz NHEBILWOVAJQQM-HNNXBMFYSA-N 1 2 348.516 3.016 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@H]2CCC[N@H+](Cc3nncs3)CC2)CC1 ZINC000948747202 1333658116 /nfs/dbraw/zinc/65/81/16/1333658116.db2.gz QZVBDEQNYSVPTF-INIZCTEOSA-N 1 2 348.516 3.097 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3nncs3)CC2)CC1 ZINC000948747202 1333658119 /nfs/dbraw/zinc/65/81/19/1333658119.db2.gz QZVBDEQNYSVPTF-INIZCTEOSA-N 1 2 348.516 3.097 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CCC[N@@H+]([C@@H](C)c3csnn3)CC2)C1 ZINC000948752760 1333662077 /nfs/dbraw/zinc/66/20/77/1333662077.db2.gz CDUOBXGEJNKUKI-LSDHHAIUSA-N 1 2 348.516 3.268 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CCC[N@H+]([C@@H](C)c3csnn3)CC2)C1 ZINC000948752760 1333662081 /nfs/dbraw/zinc/66/20/81/1333662081.db2.gz CDUOBXGEJNKUKI-LSDHHAIUSA-N 1 2 348.516 3.268 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cccc(F)c1C ZINC000948919393 1333734095 /nfs/dbraw/zinc/73/40/95/1333734095.db2.gz GIPRJJOUSSYPFP-HXUWFJFHSA-N 1 2 336.410 3.097 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cccc(F)c1C ZINC000948919393 1333734098 /nfs/dbraw/zinc/73/40/98/1333734098.db2.gz GIPRJJOUSSYPFP-HXUWFJFHSA-N 1 2 336.410 3.097 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc2occc2[nH]1 ZINC000948923293 1333735550 /nfs/dbraw/zinc/73/55/50/1333735550.db2.gz FKAOSNUVQOCHIU-LJQANCHMSA-N 1 2 347.418 3.113 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc2occc2[nH]1 ZINC000948923293 1333735553 /nfs/dbraw/zinc/73/55/53/1333735553.db2.gz FKAOSNUVQOCHIU-LJQANCHMSA-N 1 2 347.418 3.113 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cscc1Cl ZINC000948928740 1333737211 /nfs/dbraw/zinc/73/72/11/1333737211.db2.gz KVROIEPWZLPZRV-KRWDZBQOSA-N 1 2 344.867 3.364 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cscc1Cl ZINC000948928740 1333737213 /nfs/dbraw/zinc/73/72/13/1333737213.db2.gz KVROIEPWZLPZRV-KRWDZBQOSA-N 1 2 344.867 3.364 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc2ccsc2[nH]1 ZINC000948940197 1333741800 /nfs/dbraw/zinc/74/18/00/1333741800.db2.gz FSZGCVOXTFWQBR-SFHVURJKSA-N 1 2 349.459 3.192 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc2ccsc2[nH]1 ZINC000948940197 1333741803 /nfs/dbraw/zinc/74/18/03/1333741803.db2.gz FSZGCVOXTFWQBR-SFHVURJKSA-N 1 2 349.459 3.192 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(F)c(C)c1 ZINC000948950850 1333744451 /nfs/dbraw/zinc/74/44/51/1333744451.db2.gz PCDFPNRSPNURAM-HXUWFJFHSA-N 1 2 336.410 3.097 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(F)c(C)c1 ZINC000948950850 1333744453 /nfs/dbraw/zinc/74/44/53/1333744453.db2.gz PCDFPNRSPNURAM-HXUWFJFHSA-N 1 2 336.410 3.097 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C2CC2)no1 ZINC000948966419 1333751012 /nfs/dbraw/zinc/75/10/12/1333751012.db2.gz YWIUSYMIMCEOPB-GOSISDBHSA-N 1 2 337.423 3.067 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C2CC2)no1 ZINC000948966419 1333751016 /nfs/dbraw/zinc/75/10/16/1333751016.db2.gz YWIUSYMIMCEOPB-GOSISDBHSA-N 1 2 337.423 3.067 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccccc1OCC ZINC000948982473 1333758005 /nfs/dbraw/zinc/75/80/05/1333758005.db2.gz MKBCLBBERSQXAC-HXUWFJFHSA-N 1 2 348.446 3.048 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccccc1OCC ZINC000948982473 1333758009 /nfs/dbraw/zinc/75/80/09/1333758009.db2.gz MKBCLBBERSQXAC-HXUWFJFHSA-N 1 2 348.446 3.048 20 30 EGEDLO C[C@@H]1CC[C@H](CC(=O)N2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000949734702 1333908395 /nfs/dbraw/zinc/90/83/95/1333908395.db2.gz VFCATTHLKATLPA-SJORKVTESA-N 1 2 325.456 3.029 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](CCOc2c(C)cccc2C)CC1 ZINC000950051708 1334003690 /nfs/dbraw/zinc/00/36/90/1334003690.db2.gz RLVJKFPXTLIOQJ-NRFANRHFSA-N 1 2 344.499 3.429 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC000950051694 1334003872 /nfs/dbraw/zinc/00/38/72/1334003872.db2.gz QTYWEXXEKKDCMF-HXUWFJFHSA-N 1 2 330.472 3.250 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)C1 ZINC000950969915 1334162355 /nfs/dbraw/zinc/16/23/55/1334162355.db2.gz HJRCRGSSPBMARM-MOPGFXCFSA-N 1 2 330.447 3.428 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccccc2OC2CCC2)C1 ZINC000951718816 1334307147 /nfs/dbraw/zinc/30/71/47/1334307147.db2.gz DINJRYODFRHTAQ-UHFFFAOYSA-N 1 2 328.456 3.340 20 30 EGEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](CC(=C)Cl)CC[C@H]1C ZINC000967010408 1335641426 /nfs/dbraw/zinc/64/14/26/1335641426.db2.gz VKWMHKQDYPYGGC-RHSMWYFYSA-N 1 2 348.874 3.444 20 30 EGEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@H+](CC(=C)Cl)CC[C@H]1C ZINC000967010408 1335641428 /nfs/dbraw/zinc/64/14/28/1335641428.db2.gz VKWMHKQDYPYGGC-RHSMWYFYSA-N 1 2 348.874 3.444 20 30 EGEDLO Cc1coc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@@H]2C)c1 ZINC000967892803 1335825332 /nfs/dbraw/zinc/82/53/32/1335825332.db2.gz DFFGKAKFRUCULY-MAUKXSAKSA-N 1 2 337.423 3.100 20 30 EGEDLO Cc1coc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)CC[C@@H]2C)c1 ZINC000967892803 1335825333 /nfs/dbraw/zinc/82/53/33/1335825333.db2.gz DFFGKAKFRUCULY-MAUKXSAKSA-N 1 2 337.423 3.100 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](Cc3ccncc3Cl)CC[C@@H]2C)C1 ZINC000968210710 1335872652 /nfs/dbraw/zinc/87/26/52/1335872652.db2.gz IFNMSXZPDZIZRR-YOEHRIQHSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](Cc3ccncc3Cl)CC[C@@H]2C)C1 ZINC000968210710 1335872654 /nfs/dbraw/zinc/87/26/54/1335872654.db2.gz IFNMSXZPDZIZRR-YOEHRIQHSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C(C)C)cn2)C1 ZINC000968332186 1335891873 /nfs/dbraw/zinc/89/18/73/1335891873.db2.gz VDYCDOJEYPAXBO-SUMWQHHRSA-N 1 2 335.879 3.398 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C(C)C)cn2)C1 ZINC000968332186 1335891877 /nfs/dbraw/zinc/89/18/77/1335891877.db2.gz VDYCDOJEYPAXBO-SUMWQHHRSA-N 1 2 335.879 3.398 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC000968354711 1335900458 /nfs/dbraw/zinc/90/04/58/1335900458.db2.gz VRRHXIYBKUSYMJ-SMDDNHRTSA-N 1 2 334.838 3.391 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC000968354711 1335900461 /nfs/dbraw/zinc/90/04/61/1335900461.db2.gz VRRHXIYBKUSYMJ-SMDDNHRTSA-N 1 2 334.838 3.391 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2ccc(CC)cc2)C1 ZINC000968364868 1335904481 /nfs/dbraw/zinc/90/44/81/1335904481.db2.gz KSVJKYXRNNZMTG-RDTXWAMCSA-N 1 2 334.891 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2ccc(CC)cc2)C1 ZINC000968364868 1335904482 /nfs/dbraw/zinc/90/44/82/1335904482.db2.gz KSVJKYXRNNZMTG-RDTXWAMCSA-N 1 2 334.891 3.371 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC000968554928 1335960854 /nfs/dbraw/zinc/96/08/54/1335960854.db2.gz YSFMKMLVKHEKKD-CXAGYDPISA-N 1 2 337.895 3.406 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC000968554928 1335960855 /nfs/dbraw/zinc/96/08/55/1335960855.db2.gz YSFMKMLVKHEKKD-CXAGYDPISA-N 1 2 337.895 3.406 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc3c2CCC3)C1 ZINC000968695260 1336015078 /nfs/dbraw/zinc/01/50/78/1336015078.db2.gz KWDLWIMPDZQJFK-SCLBCKFNSA-N 1 2 332.875 3.368 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc3c2CCC3)C1 ZINC000968695260 1336015079 /nfs/dbraw/zinc/01/50/79/1336015079.db2.gz KWDLWIMPDZQJFK-SCLBCKFNSA-N 1 2 332.875 3.368 20 30 EGEDLO C[C@@H](NC(=O)C1CC(C)(C)C1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969611961 1336229052 /nfs/dbraw/zinc/22/90/52/1336229052.db2.gz HBUZZQCKLOYZBX-CYBMUJFWSA-N 1 2 343.446 3.070 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2sccc2C)C1 ZINC000969657420 1336233749 /nfs/dbraw/zinc/23/37/49/1336233749.db2.gz MFJGVCKTDDXBJY-NWANDNLSSA-N 1 2 338.904 3.349 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2CC[NH+](Cc3ccn(C(C)C)n3)CC2)C1 ZINC001005968738 1336431634 /nfs/dbraw/zinc/43/16/34/1336431634.db2.gz KFZGIZQVIPXZHU-UHFFFAOYSA-N 1 2 344.503 3.243 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2cc([C@H](C)CC)no2)CC1 ZINC001006101729 1336452440 /nfs/dbraw/zinc/45/24/40/1336452440.db2.gz CBJNXKPIEPFLCH-GFCCVEGCSA-N 1 2 339.867 3.477 20 30 EGEDLO Cc1ccsc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001006602821 1336535895 /nfs/dbraw/zinc/53/58/95/1336535895.db2.gz LTZWMSRXZSBMES-KRWDZBQOSA-N 1 2 339.464 3.323 20 30 EGEDLO Cc1ccsc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001006602821 1336535897 /nfs/dbraw/zinc/53/58/97/1336535897.db2.gz LTZWMSRXZSBMES-KRWDZBQOSA-N 1 2 339.464 3.323 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccc3)C2)cc1F ZINC001006617027 1336539732 /nfs/dbraw/zinc/53/97/32/1336539732.db2.gz VGEGDORLRLCQMD-GOSISDBHSA-N 1 2 337.398 3.092 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccccc3)C2)cc1F ZINC001006617027 1336539739 /nfs/dbraw/zinc/53/97/39/1336539739.db2.gz VGEGDORLRLCQMD-GOSISDBHSA-N 1 2 337.398 3.092 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-c3cnco3)cc2)C1 ZINC001007658660 1336685327 /nfs/dbraw/zinc/68/53/27/1336685327.db2.gz XSXQFPILDTYCBU-MRXNPFEDSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(-c3cnco3)cc2)C1 ZINC001007658660 1336685328 /nfs/dbraw/zinc/68/53/28/1336685328.db2.gz XSXQFPILDTYCBU-MRXNPFEDSA-N 1 2 345.830 3.288 20 30 EGEDLO CC1(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)CCCC1 ZINC001008105345 1336770493 /nfs/dbraw/zinc/77/04/93/1336770493.db2.gz WWAVRWHOSFLKGE-LJQANCHMSA-N 1 2 342.458 3.338 20 30 EGEDLO CC1(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)CCCC1 ZINC001008105345 1336770496 /nfs/dbraw/zinc/77/04/96/1336770496.db2.gz WWAVRWHOSFLKGE-LJQANCHMSA-N 1 2 342.458 3.338 20 30 EGEDLO CC1(C)CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001008225186 1336796726 /nfs/dbraw/zinc/79/67/26/1336796726.db2.gz OBCOAZSBPUTZLU-MOPGFXCFSA-N 1 2 339.483 3.465 20 30 EGEDLO CC1(C)CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001008225186 1336796727 /nfs/dbraw/zinc/79/67/27/1336796727.db2.gz OBCOAZSBPUTZLU-MOPGFXCFSA-N 1 2 339.483 3.465 20 30 EGEDLO C[C@@]1(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)C=CCC1 ZINC001008232078 1336799794 /nfs/dbraw/zinc/79/97/94/1336799794.db2.gz SHJNSJMLYKTMBL-TZIWHRDSSA-N 1 2 340.442 3.114 20 30 EGEDLO C[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)C=CCC1 ZINC001008232078 1336799797 /nfs/dbraw/zinc/79/97/97/1336799797.db2.gz SHJNSJMLYKTMBL-TZIWHRDSSA-N 1 2 340.442 3.114 20 30 EGEDLO CC(C)(C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1)C1CC1 ZINC001008259985 1336806985 /nfs/dbraw/zinc/80/69/85/1336806985.db2.gz WKAOJMZPDZVUBF-QGZVFWFLSA-N 1 2 343.446 3.214 20 30 EGEDLO CC(C)(C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1)C1CC1 ZINC001008259985 1336806987 /nfs/dbraw/zinc/80/69/87/1336806987.db2.gz WKAOJMZPDZVUBF-QGZVFWFLSA-N 1 2 343.446 3.214 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3occc3Cl)C2)s1 ZINC001008427015 1336849911 /nfs/dbraw/zinc/84/99/11/1336849911.db2.gz GISSGRBHTBOZSY-NSHDSACASA-N 1 2 349.843 3.261 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3occc3Cl)C2)s1 ZINC001008427015 1336849914 /nfs/dbraw/zinc/84/99/14/1336849914.db2.gz GISSGRBHTBOZSY-NSHDSACASA-N 1 2 349.843 3.261 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001008457536 1336859484 /nfs/dbraw/zinc/85/94/84/1336859484.db2.gz JMFRVRGKKKSELO-KBAYOESNSA-N 1 2 343.446 3.214 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001008457536 1336859485 /nfs/dbraw/zinc/85/94/85/1336859485.db2.gz JMFRVRGKKKSELO-KBAYOESNSA-N 1 2 343.446 3.214 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001008576887 1336884843 /nfs/dbraw/zinc/88/48/43/1336884843.db2.gz YSHXKEWYGNJHOV-BHIYHBOVSA-N 1 2 344.886 3.318 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001008576887 1336884845 /nfs/dbraw/zinc/88/48/45/1336884845.db2.gz YSHXKEWYGNJHOV-BHIYHBOVSA-N 1 2 344.886 3.318 20 30 EGEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3cc(C)ccc3s2)C1 ZINC001009045541 1336959350 /nfs/dbraw/zinc/95/93/50/1336959350.db2.gz NGBRIMGEDFYEKN-MRXNPFEDSA-N 1 2 326.465 3.427 20 30 EGEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3cc(C)ccc3s2)C1 ZINC001009045541 1336959351 /nfs/dbraw/zinc/95/93/51/1336959351.db2.gz NGBRIMGEDFYEKN-MRXNPFEDSA-N 1 2 326.465 3.427 20 30 EGEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)C1(F)CCCCC1 ZINC001009088952 1336966679 /nfs/dbraw/zinc/96/66/79/1336966679.db2.gz UQTPCQFIFKBMIH-IBGZPJMESA-N 1 2 342.458 3.291 20 30 EGEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)C1(F)CCCCC1 ZINC001009088952 1336966683 /nfs/dbraw/zinc/96/66/83/1336966683.db2.gz UQTPCQFIFKBMIH-IBGZPJMESA-N 1 2 342.458 3.291 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3cnccc3c2)C1 ZINC001009111514 1336971017 /nfs/dbraw/zinc/97/10/17/1336971017.db2.gz SUNYKJBXEIUZOS-KRWDZBQOSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc3cnccc3c2)C1 ZINC001009111514 1336971019 /nfs/dbraw/zinc/97/10/19/1336971019.db2.gz SUNYKJBXEIUZOS-KRWDZBQOSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C23CC(C(F)(F)F)(C2)C3)C1 ZINC001009642141 1337051302 /nfs/dbraw/zinc/05/13/02/1337051302.db2.gz JEQFDQCLLDNVQQ-XGNXJENSSA-N 1 2 336.785 3.052 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C23CC(C(F)(F)F)(C2)C3)C1 ZINC001009642141 1337051303 /nfs/dbraw/zinc/05/13/03/1337051303.db2.gz JEQFDQCLLDNVQQ-XGNXJENSSA-N 1 2 336.785 3.052 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(c3ccccc3OC)CC2)C1 ZINC001009721788 1337065558 /nfs/dbraw/zinc/06/55/58/1337065558.db2.gz DMCRYZHTRDDCKA-OAHLLOKOSA-N 1 2 348.874 3.060 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(c3ccccc3OC)CC2)C1 ZINC001009721788 1337065559 /nfs/dbraw/zinc/06/55/59/1337065559.db2.gz DMCRYZHTRDDCKA-OAHLLOKOSA-N 1 2 348.874 3.060 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)CC3=CCCCC3)C2)c1 ZINC001010382468 1337186304 /nfs/dbraw/zinc/18/63/04/1337186304.db2.gz JLAOANSIGNSZEN-GOSISDBHSA-N 1 2 341.430 3.278 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)CC3=CCCCC3)C2)c1 ZINC001010382468 1337186305 /nfs/dbraw/zinc/18/63/05/1337186305.db2.gz JLAOANSIGNSZEN-GOSISDBHSA-N 1 2 341.430 3.278 20 30 EGEDLO Cc1cscc1C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010482875 1337204470 /nfs/dbraw/zinc/20/44/70/1337204470.db2.gz OQLSJSSTJVRTQL-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1cscc1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010482875 1337204472 /nfs/dbraw/zinc/20/44/72/1337204472.db2.gz OQLSJSSTJVRTQL-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001014793761 1337911175 /nfs/dbraw/zinc/91/11/75/1337911175.db2.gz VJMLESLKGPJKBB-JZXOWHBKSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001014793761 1337911177 /nfs/dbraw/zinc/91/11/77/1337911177.db2.gz VJMLESLKGPJKBB-JZXOWHBKSA-N 1 2 348.874 3.132 20 30 EGEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ccsc1Cl ZINC001015794615 1338314627 /nfs/dbraw/zinc/31/46/27/1338314627.db2.gz LTUKGLHMXDHKES-OAHLLOKOSA-N 1 2 344.867 3.257 20 30 EGEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ccsc1Cl ZINC001015794615 1338314628 /nfs/dbraw/zinc/31/46/28/1338314628.db2.gz LTUKGLHMXDHKES-OAHLLOKOSA-N 1 2 344.867 3.257 20 30 EGEDLO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1)C1CCCC1 ZINC001015973626 1338386122 /nfs/dbraw/zinc/38/61/22/1338386122.db2.gz PNUUXKZAAJWOCU-KSSFIOAISA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1)C1CCCC1 ZINC001015973626 1338386124 /nfs/dbraw/zinc/38/61/24/1338386124.db2.gz PNUUXKZAAJWOCU-KSSFIOAISA-N 1 2 343.446 3.214 20 30 EGEDLO CCCc1occc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001015991242 1338396307 /nfs/dbraw/zinc/39/63/07/1338396307.db2.gz YKWFOJYFYPBTFO-SFHVURJKSA-N 1 2 336.435 3.088 20 30 EGEDLO CCCc1occc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001015991242 1338396310 /nfs/dbraw/zinc/39/63/10/1338396310.db2.gz YKWFOJYFYPBTFO-SFHVURJKSA-N 1 2 336.435 3.088 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccc2C(F)(F)F)C1 ZINC001016057869 1338434831 /nfs/dbraw/zinc/43/48/31/1338434831.db2.gz VOJKZNBXXBBVCP-NSHDSACASA-N 1 2 332.753 3.262 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2C(F)(F)F)C1 ZINC001016057869 1338434833 /nfs/dbraw/zinc/43/48/33/1338434833.db2.gz VOJKZNBXXBBVCP-NSHDSACASA-N 1 2 332.753 3.262 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(OCC(C)C)cc2)C1 ZINC001016172884 1338490828 /nfs/dbraw/zinc/49/08/28/1338490828.db2.gz GYIZJKLTBQIEOI-MRXNPFEDSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(OCC(C)C)cc2)C1 ZINC001016172884 1338490833 /nfs/dbraw/zinc/49/08/33/1338490833.db2.gz GYIZJKLTBQIEOI-MRXNPFEDSA-N 1 2 336.863 3.278 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)C3CCC=CCC3)C2)c1 ZINC001016286036 1338535041 /nfs/dbraw/zinc/53/50/41/1338535041.db2.gz DRADGJPTLIWRHO-SFHVURJKSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)C3CCC=CCC3)C2)c1 ZINC001016286036 1338535046 /nfs/dbraw/zinc/53/50/46/1338535046.db2.gz DRADGJPTLIWRHO-SFHVURJKSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C3CCC=CCC3)C2)c(F)c1 ZINC001016289425 1338536792 /nfs/dbraw/zinc/53/67/92/1338536792.db2.gz YSZXPKAANCLGND-GOSISDBHSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C3CCC=CCC3)C2)c(F)c1 ZINC001016289425 1338536798 /nfs/dbraw/zinc/53/67/98/1338536798.db2.gz YSZXPKAANCLGND-GOSISDBHSA-N 1 2 341.430 3.134 20 30 EGEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n(C(CC)CC)n1 ZINC001017690263 1339391903 /nfs/dbraw/zinc/39/19/03/1339391903.db2.gz BKTHSHNOLNTMNU-CALCHBBNSA-N 1 2 330.476 3.027 20 30 EGEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n(C(CC)CC)n1 ZINC001017690263 1339391904 /nfs/dbraw/zinc/39/19/04/1339391904.db2.gz BKTHSHNOLNTMNU-CALCHBBNSA-N 1 2 330.476 3.027 20 30 EGEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(F)(F)F)s1 ZINC001018334346 1339581153 /nfs/dbraw/zinc/58/11/53/1339581153.db2.gz NIMNIIIWGMTBBE-PHIMTYICSA-N 1 2 330.375 3.242 20 30 EGEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(F)(F)F)s1 ZINC001018334346 1339581155 /nfs/dbraw/zinc/58/11/55/1339581155.db2.gz NIMNIIIWGMTBBE-PHIMTYICSA-N 1 2 330.375 3.242 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C(F)(F)F)CCCCC1 ZINC001018335365 1339582102 /nfs/dbraw/zinc/58/21/02/1339582102.db2.gz SSKFTVCGADDROJ-GASCZTMLSA-N 1 2 342.405 3.198 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C(F)(F)F)CCCCC1 ZINC001018335365 1339582105 /nfs/dbraw/zinc/58/21/05/1339582105.db2.gz SSKFTVCGADDROJ-GASCZTMLSA-N 1 2 342.405 3.198 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@H+]2Cc2nc(C)cs2)CC1 ZINC001028114711 1340435903 /nfs/dbraw/zinc/43/59/03/1340435903.db2.gz NEOFQVSLQFCFQS-MRXNPFEDSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+]2Cc2nc(C)cs2)CC1 ZINC001028114711 1340435906 /nfs/dbraw/zinc/43/59/06/1340435906.db2.gz NEOFQVSLQFCFQS-MRXNPFEDSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(F)c1Cl ZINC001028163132 1340460119 /nfs/dbraw/zinc/46/01/19/1340460119.db2.gz AWCZEWIUAYCXHQ-LLVKDONJSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(F)c1Cl ZINC001028163132 1340460118 /nfs/dbraw/zinc/46/01/18/1340460118.db2.gz AWCZEWIUAYCXHQ-LLVKDONJSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2nc(Cl)sc2C)CC[C@H]1C ZINC001071675521 1354843092 /nfs/dbraw/zinc/84/30/92/1354843092.db2.gz FFTHTYLGEXBLAS-MWLCHTKSSA-N 1 2 348.299 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2nc(Cl)sc2C)CC[C@H]1C ZINC001071675521 1354843096 /nfs/dbraw/zinc/84/30/96/1354843096.db2.gz FFTHTYLGEXBLAS-MWLCHTKSSA-N 1 2 348.299 3.440 20 30 EGEDLO CC(C)=CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001029195994 1340952631 /nfs/dbraw/zinc/95/26/31/1340952631.db2.gz LWQZFFCPYSHEPS-KDURUIRLSA-N 1 2 342.870 3.333 20 30 EGEDLO CC(C)=CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001029195994 1340952632 /nfs/dbraw/zinc/95/26/32/1340952632.db2.gz LWQZFFCPYSHEPS-KDURUIRLSA-N 1 2 342.870 3.333 20 30 EGEDLO CCC(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1F ZINC001029218198 1340956987 /nfs/dbraw/zinc/95/69/87/1340956987.db2.gz HFHGDEXLFLQTML-HDICACEKSA-N 1 2 343.446 3.309 20 30 EGEDLO CCC(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1F ZINC001029218198 1340956989 /nfs/dbraw/zinc/95/69/89/1340956989.db2.gz HFHGDEXLFLQTML-HDICACEKSA-N 1 2 343.446 3.309 20 30 EGEDLO C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2C#N)CC=CCC1 ZINC001029321889 1340971695 /nfs/dbraw/zinc/97/16/95/1340971695.db2.gz WFJCDMGJVSUJLA-RZUBCFFCSA-N 1 2 349.478 3.480 20 30 EGEDLO C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2C#N)CC=CCC1 ZINC001029321889 1340971696 /nfs/dbraw/zinc/97/16/96/1340971696.db2.gz WFJCDMGJVSUJLA-RZUBCFFCSA-N 1 2 349.478 3.480 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cncs1 ZINC001029323301 1340972104 /nfs/dbraw/zinc/97/21/04/1340972104.db2.gz XCLLTXJQMIANKC-BETUJISGSA-N 1 2 339.892 3.097 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cncs1 ZINC001029323301 1340972105 /nfs/dbraw/zinc/97/21/05/1340972105.db2.gz XCLLTXJQMIANKC-BETUJISGSA-N 1 2 339.892 3.097 20 30 EGEDLO CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2C#N)CCC1 ZINC001029432386 1340989316 /nfs/dbraw/zinc/98/93/16/1340989316.db2.gz YXPARCHHYBEKGZ-KDURUIRLSA-N 1 2 337.467 3.314 20 30 EGEDLO CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2C#N)CCC1 ZINC001029432386 1340989317 /nfs/dbraw/zinc/98/93/17/1340989317.db2.gz YXPARCHHYBEKGZ-KDURUIRLSA-N 1 2 337.467 3.314 20 30 EGEDLO CC(C)[C@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029533843 1341006384 /nfs/dbraw/zinc/00/63/84/1341006384.db2.gz CZSXYSJUFJSUKS-MHTWAQMVSA-N 1 2 336.479 3.005 20 30 EGEDLO CC(C)[C@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029533843 1341006385 /nfs/dbraw/zinc/00/63/85/1341006385.db2.gz CZSXYSJUFJSUKS-MHTWAQMVSA-N 1 2 336.479 3.005 20 30 EGEDLO CC[C@]1(C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029534726 1341007108 /nfs/dbraw/zinc/00/71/08/1341007108.db2.gz PELSAKVTIZDZIQ-XAPVIXHLSA-N 1 2 336.479 3.150 20 30 EGEDLO CC[C@]1(C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029534726 1341007109 /nfs/dbraw/zinc/00/71/09/1341007109.db2.gz PELSAKVTIZDZIQ-XAPVIXHLSA-N 1 2 336.479 3.150 20 30 EGEDLO C=CCOc1ccccc1C(=O)NC1C[NH+](CC2=CCCCC2)C1 ZINC001030542085 1341196145 /nfs/dbraw/zinc/19/61/45/1341196145.db2.gz MNYFQVMRCDNLHG-UHFFFAOYSA-N 1 2 326.440 3.166 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+]([C@H](CC)c2ccc(F)cc2)C1 ZINC001031088594 1341276294 /nfs/dbraw/zinc/27/62/94/1341276294.db2.gz DLBIOYBJOHMFPZ-OTWHNJEPSA-N 1 2 346.446 3.058 20 30 EGEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)C3CCCCCC3)C2)ccc1F ZINC001031575304 1341370601 /nfs/dbraw/zinc/37/06/01/1341370601.db2.gz NNZZTEUPSOQZIN-UHFFFAOYSA-N 1 2 343.446 3.216 20 30 EGEDLO CCc1ccc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)s1 ZINC001031823834 1341406879 /nfs/dbraw/zinc/40/68/79/1341406879.db2.gz PCLDSPHAPCCYFN-UHFFFAOYSA-N 1 2 338.476 3.024 20 30 EGEDLO C=Cc1ccc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)cc1 ZINC001031999389 1341437153 /nfs/dbraw/zinc/43/71/53/1341437153.db2.gz QRMRMBMOOAPOMF-UHFFFAOYSA-N 1 2 349.409 3.202 20 30 EGEDLO Cc1cccc(C)c1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031999818 1341437934 /nfs/dbraw/zinc/43/79/34/1341437934.db2.gz CVIAFSYYYQZNBF-UHFFFAOYSA-N 1 2 333.435 3.037 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC001032146014 1341463347 /nfs/dbraw/zinc/46/33/47/1341463347.db2.gz YJLYOYYSYTUUIQ-UHFFFAOYSA-N 1 2 332.753 3.120 20 30 EGEDLO CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1)C1CCC1 ZINC001032543115 1341535654 /nfs/dbraw/zinc/53/56/54/1341535654.db2.gz IKKSMBNSUUFKJO-OALUTQOASA-N 1 2 337.467 3.170 20 30 EGEDLO CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1)C1CCC1 ZINC001032543115 1341535655 /nfs/dbraw/zinc/53/56/55/1341535655.db2.gz IKKSMBNSUUFKJO-OALUTQOASA-N 1 2 337.467 3.170 20 30 EGEDLO CCCc1occc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032732683 1341594630 /nfs/dbraw/zinc/59/46/30/1341594630.db2.gz OJGITBIXNMGLKI-ROUUACIJSA-N 1 2 349.434 3.203 20 30 EGEDLO CCCc1occc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032732683 1341594631 /nfs/dbraw/zinc/59/46/31/1341594631.db2.gz OJGITBIXNMGLKI-ROUUACIJSA-N 1 2 349.434 3.203 20 30 EGEDLO CCc1cc(C)c(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)o1 ZINC001032734474 1341595029 /nfs/dbraw/zinc/59/50/29/1341595029.db2.gz LPEOOICZGBKYLE-ROUUACIJSA-N 1 2 349.434 3.121 20 30 EGEDLO CCc1cc(C)c(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)o1 ZINC001032734474 1341595030 /nfs/dbraw/zinc/59/50/30/1341595030.db2.gz LPEOOICZGBKYLE-ROUUACIJSA-N 1 2 349.434 3.121 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)CC1 ZINC001032741446 1341597498 /nfs/dbraw/zinc/59/74/98/1341597498.db2.gz NJWLPNORLKBNPK-KNTRFNDTSA-N 1 2 337.467 3.170 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)CC1 ZINC001032741446 1341597500 /nfs/dbraw/zinc/59/75/00/1341597500.db2.gz NJWLPNORLKBNPK-KNTRFNDTSA-N 1 2 337.467 3.170 20 30 EGEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)c(CCC)s1 ZINC001032775833 1341610793 /nfs/dbraw/zinc/61/07/93/1341610793.db2.gz HDGHZWKFWBSOTJ-HOTGVXAUSA-N 1 2 330.497 3.185 20 30 EGEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)c(CCC)s1 ZINC001032775833 1341610796 /nfs/dbraw/zinc/61/07/96/1341610796.db2.gz HDGHZWKFWBSOTJ-HOTGVXAUSA-N 1 2 330.497 3.185 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc3c2CCCC3)C1 ZINC001033106588 1341726645 /nfs/dbraw/zinc/72/66/45/1341726645.db2.gz OAZGYEGCUHSBDR-INIZCTEOSA-N 1 2 332.875 3.464 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3c2CCCC3)C1 ZINC001033106588 1341726646 /nfs/dbraw/zinc/72/66/46/1341726646.db2.gz OAZGYEGCUHSBDR-INIZCTEOSA-N 1 2 332.875 3.464 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(F)c(C)cc2F)C1 ZINC001033169616 1341743913 /nfs/dbraw/zinc/74/39/13/1341743913.db2.gz KRAUWVZTLPEHGL-GFCCVEGCSA-N 1 2 328.790 3.172 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(F)c(C)cc2F)C1 ZINC001033169616 1341743915 /nfs/dbraw/zinc/74/39/15/1341743915.db2.gz KRAUWVZTLPEHGL-GFCCVEGCSA-N 1 2 328.790 3.172 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(C)cc2Cl)C1 ZINC001033203053 1341751850 /nfs/dbraw/zinc/75/18/50/1341751850.db2.gz JLCIEQCWSBPYQK-OAHLLOKOSA-N 1 2 341.282 3.476 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(C)cc2Cl)C1 ZINC001033203053 1341751851 /nfs/dbraw/zinc/75/18/51/1341751851.db2.gz JLCIEQCWSBPYQK-OAHLLOKOSA-N 1 2 341.282 3.476 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2COc3cc(C)c(C)cc32)C1 ZINC001033299889 1341771278 /nfs/dbraw/zinc/77/12/78/1341771278.db2.gz VWLXXWYQMVKWND-NVXWUHKLSA-N 1 2 348.874 3.065 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2COc3cc(C)c(C)cc32)C1 ZINC001033299889 1341771279 /nfs/dbraw/zinc/77/12/79/1341771279.db2.gz VWLXXWYQMVKWND-NVXWUHKLSA-N 1 2 348.874 3.065 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2nccc3ccccc32)C1 ZINC001033371627 1341800115 /nfs/dbraw/zinc/80/01/15/1341800115.db2.gz ZVLQJCSQNGDFAC-HNNXBMFYSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2nccc3ccccc32)C1 ZINC001033371627 1341800119 /nfs/dbraw/zinc/80/01/19/1341800119.db2.gz ZVLQJCSQNGDFAC-HNNXBMFYSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@@H+]([C@H](C)c3ncc(C)o3)C2)CC1 ZINC001033389320 1341808256 /nfs/dbraw/zinc/80/82/56/1341808256.db2.gz MZBQLYNAVQFYHO-NVXWUHKLSA-N 1 2 331.460 3.323 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@H+]([C@H](C)c3ncc(C)o3)C2)CC1 ZINC001033389320 1341808257 /nfs/dbraw/zinc/80/82/57/1341808257.db2.gz MZBQLYNAVQFYHO-NVXWUHKLSA-N 1 2 331.460 3.323 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C1 ZINC001033495429 1341847168 /nfs/dbraw/zinc/84/71/68/1341847168.db2.gz UUTIZHGKVSAHMJ-RYQLBKOJSA-N 1 2 348.874 3.084 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C1 ZINC001033495429 1341847171 /nfs/dbraw/zinc/84/71/71/1341847171.db2.gz UUTIZHGKVSAHMJ-RYQLBKOJSA-N 1 2 348.874 3.084 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C1 ZINC001033495427 1341847193 /nfs/dbraw/zinc/84/71/93/1341847193.db2.gz UUTIZHGKVSAHMJ-BPQIPLTHSA-N 1 2 348.874 3.084 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C1 ZINC001033495427 1341847197 /nfs/dbraw/zinc/84/71/97/1341847197.db2.gz UUTIZHGKVSAHMJ-BPQIPLTHSA-N 1 2 348.874 3.084 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2cccc(OC)c2)C1 ZINC001033687851 1341951719 /nfs/dbraw/zinc/95/17/19/1341951719.db2.gz FATWMJHLHIMEFF-ZBFHGGJFSA-N 1 2 336.863 3.084 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2cccc(OC)c2)C1 ZINC001033687851 1341951722 /nfs/dbraw/zinc/95/17/22/1341951722.db2.gz FATWMJHLHIMEFF-ZBFHGGJFSA-N 1 2 336.863 3.084 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C(C)C)n2)C1 ZINC001033884256 1342058102 /nfs/dbraw/zinc/05/81/02/1342058102.db2.gz CENXZGYOZFSBFR-OAHLLOKOSA-N 1 2 335.879 3.494 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C(C)C)n2)C1 ZINC001033884256 1342058104 /nfs/dbraw/zinc/05/81/04/1342058104.db2.gz CENXZGYOZFSBFR-OAHLLOKOSA-N 1 2 335.879 3.494 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc3cnccc3o2)C1 ZINC001033885956 1342058829 /nfs/dbraw/zinc/05/88/29/1342058829.db2.gz QKAODXYTMHJOMU-CQSZACIVSA-N 1 2 333.819 3.117 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc3cnccc3o2)C1 ZINC001033885956 1342058831 /nfs/dbraw/zinc/05/88/31/1342058831.db2.gz QKAODXYTMHJOMU-CQSZACIVSA-N 1 2 333.819 3.117 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc3c2CCOC3)C1 ZINC001033897752 1342069694 /nfs/dbraw/zinc/06/96/94/1342069694.db2.gz PUUWHGFPAWXPCK-MRXNPFEDSA-N 1 2 348.874 3.048 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc3c2CCOC3)C1 ZINC001033897752 1342069696 /nfs/dbraw/zinc/06/96/96/1342069696.db2.gz PUUWHGFPAWXPCK-MRXNPFEDSA-N 1 2 348.874 3.048 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc3c2O[C@@H](C)C3)C1 ZINC001033901390 1342073761 /nfs/dbraw/zinc/07/37/61/1342073761.db2.gz BMBWZHPAWXWSMK-GOEBONIOSA-N 1 2 348.874 3.299 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc3c2O[C@@H](C)C3)C1 ZINC001033901390 1342073766 /nfs/dbraw/zinc/07/37/66/1342073766.db2.gz BMBWZHPAWXWSMK-GOEBONIOSA-N 1 2 348.874 3.299 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001033977430 1342126085 /nfs/dbraw/zinc/12/60/85/1342126085.db2.gz YYUBYTHDDUMKCW-OALUTQOASA-N 1 2 346.902 3.467 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001033977430 1342126087 /nfs/dbraw/zinc/12/60/87/1342126087.db2.gz YYUBYTHDDUMKCW-OALUTQOASA-N 1 2 346.902 3.467 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2nc(C)sc2C)C1 ZINC001034268167 1342359491 /nfs/dbraw/zinc/35/94/91/1342359491.db2.gz GWPWMGZVNIMKMQ-CYBMUJFWSA-N 1 2 327.881 3.097 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2nc(C)sc2C)C1 ZINC001034268167 1342359495 /nfs/dbraw/zinc/35/94/95/1342359495.db2.gz GWPWMGZVNIMKMQ-CYBMUJFWSA-N 1 2 327.881 3.097 20 30 EGEDLO C[C@H]1C[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001034347958 1342418336 /nfs/dbraw/zinc/41/83/36/1342418336.db2.gz WESOBPRGBXQGJF-SZMVWBNQSA-N 1 2 344.886 3.318 20 30 EGEDLO C[C@H]1C[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001034347958 1342418339 /nfs/dbraw/zinc/41/83/39/1342418339.db2.gz WESOBPRGBXQGJF-SZMVWBNQSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@@H+]([C@@H](C)c3nnc(C)o3)C2)CC1 ZINC001034379914 1342449092 /nfs/dbraw/zinc/44/90/92/1342449092.db2.gz GVZCRJUZGJTXFF-YOEHRIQHSA-N 1 2 346.475 3.156 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@H+]([C@@H](C)c3nnc(C)o3)C2)CC1 ZINC001034379914 1342449093 /nfs/dbraw/zinc/44/90/93/1342449093.db2.gz GVZCRJUZGJTXFF-YOEHRIQHSA-N 1 2 346.475 3.156 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001034409285 1342471367 /nfs/dbraw/zinc/47/13/67/1342471367.db2.gz QVNWQRIEFMDLOJ-NIKGAXFTSA-N 1 2 343.446 3.214 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001034409285 1342471368 /nfs/dbraw/zinc/47/13/68/1342471368.db2.gz QVNWQRIEFMDLOJ-NIKGAXFTSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cnoc2C(C)C)C1 ZINC001034467825 1342522355 /nfs/dbraw/zinc/52/23/55/1342522355.db2.gz DIYIQQCDPWWDCV-ZDUSSCGKSA-N 1 2 325.840 3.135 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cnoc2C(C)C)C1 ZINC001034467825 1342522358 /nfs/dbraw/zinc/52/23/58/1342522358.db2.gz DIYIQQCDPWWDCV-ZDUSSCGKSA-N 1 2 325.840 3.135 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cnoc2C(C)C)C1 ZINC001034467824 1342522819 /nfs/dbraw/zinc/52/28/19/1342522819.db2.gz DIYIQQCDPWWDCV-CYBMUJFWSA-N 1 2 325.840 3.135 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cnoc2C(C)C)C1 ZINC001034467824 1342522823 /nfs/dbraw/zinc/52/28/23/1342522823.db2.gz DIYIQQCDPWWDCV-CYBMUJFWSA-N 1 2 325.840 3.135 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(F)cc2F)C1 ZINC001034513075 1342572345 /nfs/dbraw/zinc/57/23/45/1342572345.db2.gz UVQINIUGOXCRPY-CYBMUJFWSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(F)cc2F)C1 ZINC001034513075 1342572348 /nfs/dbraw/zinc/57/23/48/1342572348.db2.gz UVQINIUGOXCRPY-CYBMUJFWSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H](F)C1)CC2 ZINC001035705802 1343143821 /nfs/dbraw/zinc/14/38/21/1343143821.db2.gz BUEZEXHASWTVGG-GJZGRUSLSA-N 1 2 328.859 3.192 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cccc(C)c1F)CC2 ZINC001035710284 1343145476 /nfs/dbraw/zinc/14/54/76/1343145476.db2.gz QBHXRBOTKHVPMU-UHFFFAOYSA-N 1 2 336.838 3.425 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cccc(F)c1F)CC2 ZINC001035780428 1343190823 /nfs/dbraw/zinc/19/08/23/1343190823.db2.gz HEJOJAILTCMTHZ-UHFFFAOYSA-N 1 2 340.801 3.255 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC2(C[NH+](Cc3nocc3C)C2)CC1 ZINC001035784518 1343195044 /nfs/dbraw/zinc/19/50/44/1343195044.db2.gz GWVCSHCJIKASET-SFHVURJKSA-N 1 2 331.460 3.010 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC3(C[NH+](Cc4csc(C)n4)C3)CC2)C1 ZINC001035789019 1343200549 /nfs/dbraw/zinc/20/05/49/1343200549.db2.gz OCKPCZKNDVRMGM-UHFFFAOYSA-N 1 2 345.512 3.232 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC3(C[NH+](Cc4cncc(F)c4)C3)CC2)C1 ZINC001035791864 1343201764 /nfs/dbraw/zinc/20/17/64/1343201764.db2.gz NUYJURZNTDEPHD-UHFFFAOYSA-N 1 2 343.446 3.001 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC(F)(F)C1)CC2 ZINC001035795618 1343203588 /nfs/dbraw/zinc/20/35/88/1343203588.db2.gz UIKSYASWHSCXRY-CQSZACIVSA-N 1 2 346.849 3.489 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C1CCC(F)(F)CC1)CC2 ZINC001035803151 1343205877 /nfs/dbraw/zinc/20/58/77/1343205877.db2.gz ASAAINABOJQSSL-UHFFFAOYSA-N 1 2 346.849 3.489 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)Cc1ccc(C)s1)CC2 ZINC001035858543 1343234597 /nfs/dbraw/zinc/23/45/97/1343234597.db2.gz MFWRZVJMILMLQX-UHFFFAOYSA-N 1 2 338.904 3.276 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038146265 1344299385 /nfs/dbraw/zinc/29/93/85/1344299385.db2.gz QLDMQWXFPBITNH-MLGOLLRUSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038146265 1344299391 /nfs/dbraw/zinc/29/93/91/1344299391.db2.gz QLDMQWXFPBITNH-MLGOLLRUSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038162056 1344307047 /nfs/dbraw/zinc/30/70/47/1344307047.db2.gz AJDHTOJCVMPWSD-WBMJQRKESA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038162056 1344307049 /nfs/dbraw/zinc/30/70/49/1344307049.db2.gz AJDHTOJCVMPWSD-WBMJQRKESA-N 1 2 342.830 3.105 20 30 EGEDLO CC1=C(C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)CC1 ZINC001038285429 1344358537 /nfs/dbraw/zinc/35/85/37/1344358537.db2.gz DHCIRBOSGWAOJV-CVEARBPZSA-N 1 2 343.496 3.447 20 30 EGEDLO CC1=C(C)C[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)CC1 ZINC001038285429 1344358541 /nfs/dbraw/zinc/35/85/41/1344358541.db2.gz DHCIRBOSGWAOJV-CVEARBPZSA-N 1 2 343.496 3.447 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@H+]1Cc1cc(C)ccc1F ZINC001038343923 1344388571 /nfs/dbraw/zinc/38/85/71/1344388571.db2.gz DBYIBXWEYVMLCA-QGZVFWFLSA-N 1 2 341.430 3.126 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@@H+]1Cc1cc(C)ccc1F ZINC001038343923 1344388574 /nfs/dbraw/zinc/38/85/74/1344388574.db2.gz DBYIBXWEYVMLCA-QGZVFWFLSA-N 1 2 341.430 3.126 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C)c(F)c2)cc1 ZINC001038580771 1344492598 /nfs/dbraw/zinc/49/25/98/1344492598.db2.gz CVYSJFSXEITJGR-IBGZPJMESA-N 1 2 336.410 3.120 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C)c(F)c2)cc1 ZINC001038580771 1344492604 /nfs/dbraw/zinc/49/26/04/1344492604.db2.gz CVYSJFSXEITJGR-IBGZPJMESA-N 1 2 336.410 3.120 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)CC1 ZINC001038928886 1344657005 /nfs/dbraw/zinc/65/70/05/1344657005.db2.gz FUSOXFBLUDODDF-KKUMJFAQSA-N 1 2 331.485 3.137 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)CC1 ZINC001038928886 1344657008 /nfs/dbraw/zinc/65/70/08/1344657008.db2.gz FUSOXFBLUDODDF-KKUMJFAQSA-N 1 2 331.485 3.137 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2CC3CCC2CC3)s1 ZINC001039048466 1344734088 /nfs/dbraw/zinc/73/40/88/1344734088.db2.gz IGNWAPIAHJMEEF-GULCKSEBSA-N 1 2 343.496 3.137 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2CC3CCC2CC3)s1 ZINC001039048466 1344734091 /nfs/dbraw/zinc/73/40/91/1344734091.db2.gz IGNWAPIAHJMEEF-GULCKSEBSA-N 1 2 343.496 3.137 20 30 EGEDLO CC1(C)CCC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)C1 ZINC001039059072 1344742514 /nfs/dbraw/zinc/74/25/14/1344742514.db2.gz BFWBLPZLKNNZFM-UXHICEINSA-N 1 2 338.495 3.445 20 30 EGEDLO CC1(C)CCC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CC#Cc2ccccc2)C1 ZINC001039059072 1344742519 /nfs/dbraw/zinc/74/25/19/1344742519.db2.gz BFWBLPZLKNNZFM-UXHICEINSA-N 1 2 338.495 3.445 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(Cl)c1 ZINC001039451793 1345075001 /nfs/dbraw/zinc/07/50/01/1345075001.db2.gz OOPVJLIMGYPLBQ-CABCVRRESA-N 1 2 340.254 3.166 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(Cl)c1 ZINC001039451793 1345075002 /nfs/dbraw/zinc/07/50/02/1345075002.db2.gz OOPVJLIMGYPLBQ-CABCVRRESA-N 1 2 340.254 3.166 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n(C)c1C ZINC001039468083 1345085890 /nfs/dbraw/zinc/08/58/90/1345085890.db2.gz SNBWDZBYTSBNQW-CVEARBPZSA-N 1 2 335.879 3.073 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n(C)c1C ZINC001039468083 1345085892 /nfs/dbraw/zinc/08/58/92/1345085892.db2.gz SNBWDZBYTSBNQW-CVEARBPZSA-N 1 2 335.879 3.073 20 30 EGEDLO O=C(/C=C\C1CC1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001039536470 1345133905 /nfs/dbraw/zinc/13/39/05/1345133905.db2.gz BPOMWWCVFAKBEK-LHQUMLHGSA-N 1 2 334.463 3.070 20 30 EGEDLO O=C(/C=C\C1CC1)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001039536470 1345133907 /nfs/dbraw/zinc/13/39/07/1345133907.db2.gz BPOMWWCVFAKBEK-LHQUMLHGSA-N 1 2 334.463 3.070 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccn1 ZINC001039609558 1345149982 /nfs/dbraw/zinc/14/99/82/1345149982.db2.gz XYWUOZOPXGMVLO-CALCHBBNSA-N 1 2 347.890 3.426 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccn1 ZINC001039609558 1345149984 /nfs/dbraw/zinc/14/99/84/1345149984.db2.gz XYWUOZOPXGMVLO-CALCHBBNSA-N 1 2 347.890 3.426 20 30 EGEDLO C[C@@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cccc(C#N)c2)C=CCC1 ZINC001039837277 1345205555 /nfs/dbraw/zinc/20/55/55/1345205555.db2.gz CUQXCWYLGWQACL-RZUBCFFCSA-N 1 2 349.478 3.480 20 30 EGEDLO C[C@@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cccc(C#N)c2)C=CCC1 ZINC001039837277 1345205557 /nfs/dbraw/zinc/20/55/57/1345205557.db2.gz CUQXCWYLGWQACL-RZUBCFFCSA-N 1 2 349.478 3.480 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cnoc2C)CC1 ZINC001039892217 1345235279 /nfs/dbraw/zinc/23/52/79/1345235279.db2.gz ZBYZOBXGWXHMCA-KDURUIRLSA-N 1 2 343.471 3.295 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cnoc2C)CC1 ZINC001039892217 1345235282 /nfs/dbraw/zinc/23/52/82/1345235282.db2.gz ZBYZOBXGWXHMCA-KDURUIRLSA-N 1 2 343.471 3.295 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cscn1)C2 ZINC001040332255 1345437525 /nfs/dbraw/zinc/43/75/25/1345437525.db2.gz OKASKEVYTOTAKD-GOSISDBHSA-N 1 2 333.501 3.170 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cscn1)C2 ZINC001040332255 1345437528 /nfs/dbraw/zinc/43/75/28/1345437528.db2.gz OKASKEVYTOTAKD-GOSISDBHSA-N 1 2 333.501 3.170 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@H](CNc3cc[nH+]c(C)n3)[C@@H](C)C2)C1 ZINC001040449141 1345506517 /nfs/dbraw/zinc/50/65/17/1345506517.db2.gz WDWCHLSTAZRYAY-GOEBONIOSA-N 1 2 328.460 3.038 20 30 EGEDLO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3c(Cl)[nH]nc3C3CC3)C[C@H]21 ZINC001042091083 1345941772 /nfs/dbraw/zinc/94/17/72/1345941772.db2.gz QCWRQQZXAYCNIH-TZMCWYRMSA-N 1 2 348.878 3.053 20 30 EGEDLO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c(Cl)[nH]nc3C3CC3)C[C@H]21 ZINC001042091083 1345941773 /nfs/dbraw/zinc/94/17/73/1345941773.db2.gz QCWRQQZXAYCNIH-TZMCWYRMSA-N 1 2 348.878 3.053 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3ncoc3C(C)C)C[C@@H]21 ZINC001042305584 1346025784 /nfs/dbraw/zinc/02/57/84/1346025784.db2.gz ZYQBNTHKGPVGDS-KBPBESRZSA-N 1 2 337.851 3.087 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3ncoc3C(C)C)C[C@@H]21 ZINC001042305584 1346025786 /nfs/dbraw/zinc/02/57/86/1346025786.db2.gz ZYQBNTHKGPVGDS-KBPBESRZSA-N 1 2 337.851 3.087 20 30 EGEDLO CC[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1C#N ZINC001045718822 1346678956 /nfs/dbraw/zinc/67/89/56/1346678956.db2.gz RDUYBMOKNHZWGT-KYNGSXCRSA-N 1 2 343.446 3.309 20 30 EGEDLO CC[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1C#N ZINC001045718822 1346678957 /nfs/dbraw/zinc/67/89/57/1346678957.db2.gz RDUYBMOKNHZWGT-KYNGSXCRSA-N 1 2 343.446 3.309 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(C)cc(OC)c2C)C1 ZINC001046450324 1346977978 /nfs/dbraw/zinc/97/79/78/1346977978.db2.gz RXJVSSFMHOOCNQ-SFHVURJKSA-N 1 2 336.863 3.259 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(C)cc(OC)c2C)C1 ZINC001046450324 1346977979 /nfs/dbraw/zinc/97/79/79/1346977979.db2.gz RXJVSSFMHOOCNQ-SFHVURJKSA-N 1 2 336.863 3.259 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3cccc(OC)c32)C1 ZINC001046687381 1347062188 /nfs/dbraw/zinc/06/21/88/1347062188.db2.gz XTKLNQQKXMSZFU-DNVCBOLYSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3cccc(OC)c32)C1 ZINC001046687381 1347062190 /nfs/dbraw/zinc/06/21/90/1347062190.db2.gz XTKLNQQKXMSZFU-DNVCBOLYSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc3ncsc3c2)C1 ZINC001046815797 1347116318 /nfs/dbraw/zinc/11/63/18/1347116318.db2.gz CJTWJZCPRQLZFW-INIZCTEOSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc3ncsc3c2)C1 ZINC001046815797 1347116319 /nfs/dbraw/zinc/11/63/19/1347116319.db2.gz CJTWJZCPRQLZFW-INIZCTEOSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(C)nc3ccccc32)C1 ZINC001046821321 1347119059 /nfs/dbraw/zinc/11/90/59/1347119059.db2.gz URGLQTQFPYHXKG-IBGZPJMESA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(C)nc3ccccc32)C1 ZINC001046821321 1347119068 /nfs/dbraw/zinc/11/90/68/1347119068.db2.gz URGLQTQFPYHXKG-IBGZPJMESA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001046858048 1347133165 /nfs/dbraw/zinc/13/31/65/1347133165.db2.gz LNVZINHYAZASRQ-LJQANCHMSA-N 1 2 332.875 3.430 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001046858048 1347133167 /nfs/dbraw/zinc/13/31/67/1347133167.db2.gz LNVZINHYAZASRQ-LJQANCHMSA-N 1 2 332.875 3.430 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(N(C)CCC)cc2)C1 ZINC001046878328 1347142310 /nfs/dbraw/zinc/14/23/10/1347142310.db2.gz ZKNJAHZHBOKTCM-LJQANCHMSA-N 1 2 349.906 3.480 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(N(C)CCC)cc2)C1 ZINC001046878328 1347142316 /nfs/dbraw/zinc/14/23/16/1347142316.db2.gz ZKNJAHZHBOKTCM-LJQANCHMSA-N 1 2 349.906 3.480 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccoc2C)C1 ZINC001046918457 1347153012 /nfs/dbraw/zinc/15/30/12/1347153012.db2.gz ZTXCKRYFEYXKEZ-GFCCVEGCSA-N 1 2 332.778 3.028 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccoc2C)C1 ZINC001046918457 1347153014 /nfs/dbraw/zinc/15/30/14/1347153014.db2.gz ZTXCKRYFEYXKEZ-GFCCVEGCSA-N 1 2 332.778 3.028 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(C)oc2C)C1 ZINC001046919042 1347153258 /nfs/dbraw/zinc/15/32/58/1347153258.db2.gz NWQGLFRQCCTVQI-CYBMUJFWSA-N 1 2 346.805 3.336 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(C)oc2C)C1 ZINC001046919042 1347153259 /nfs/dbraw/zinc/15/32/59/1347153259.db2.gz NWQGLFRQCCTVQI-CYBMUJFWSA-N 1 2 346.805 3.336 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001046919162 1347153735 /nfs/dbraw/zinc/15/37/35/1347153735.db2.gz PXUHOQXVNXKWDC-ZIAGYGMSSA-N 1 2 332.822 3.169 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001046919162 1347153738 /nfs/dbraw/zinc/15/37/38/1347153738.db2.gz PXUHOQXVNXKWDC-ZIAGYGMSSA-N 1 2 332.822 3.169 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C23CCC(CC2)C3)C1 ZINC001046954491 1347162841 /nfs/dbraw/zinc/16/28/41/1347162841.db2.gz SOVIKCWHIKPKPC-BBBYJDLNSA-N 1 2 346.849 3.393 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C23CCC(CC2)C3)C1 ZINC001046954491 1347162843 /nfs/dbraw/zinc/16/28/43/1347162843.db2.gz SOVIKCWHIKPKPC-BBBYJDLNSA-N 1 2 346.849 3.393 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC1CC1 ZINC001049284792 1347769733 /nfs/dbraw/zinc/76/97/33/1347769733.db2.gz JCZKRIUECFUBEQ-OALUTQOASA-N 1 2 341.430 3.063 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC1CC1 ZINC001049284792 1347769734 /nfs/dbraw/zinc/76/97/34/1347769734.db2.gz JCZKRIUECFUBEQ-OALUTQOASA-N 1 2 341.430 3.063 20 30 EGEDLO CC(C)CC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001049290478 1347772826 /nfs/dbraw/zinc/77/28/26/1347772826.db2.gz DNQNKMZLXMNLGC-RBUKOAKNSA-N 1 2 343.446 3.309 20 30 EGEDLO CC(C)CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001049290478 1347772828 /nfs/dbraw/zinc/77/28/28/1347772828.db2.gz DNQNKMZLXMNLGC-RBUKOAKNSA-N 1 2 343.446 3.309 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)CC ZINC001049681129 1347970322 /nfs/dbraw/zinc/97/03/22/1347970322.db2.gz MTMMLNUQYLYQCK-KGLIPLIRSA-N 1 2 343.309 3.397 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)CC ZINC001049681129 1347970325 /nfs/dbraw/zinc/97/03/25/1347970325.db2.gz MTMMLNUQYLYQCK-KGLIPLIRSA-N 1 2 343.309 3.397 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(Cl)cc1Cl ZINC001051219922 1348405043 /nfs/dbraw/zinc/40/50/43/1348405043.db2.gz ABISEXRQRQQKQZ-CYBMUJFWSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(Cl)cc1Cl ZINC001051219922 1348405044 /nfs/dbraw/zinc/40/50/44/1348405044.db2.gz ABISEXRQRQQKQZ-CYBMUJFWSA-N 1 2 343.254 3.000 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)c(CC)s1 ZINC001051241166 1348408335 /nfs/dbraw/zinc/40/83/35/1348408335.db2.gz SYBKRKPSGVDTLS-HNNXBMFYSA-N 1 2 336.501 3.016 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)c(CC)s1 ZINC001051241166 1348408337 /nfs/dbraw/zinc/40/83/37/1348408337.db2.gz SYBKRKPSGVDTLS-HNNXBMFYSA-N 1 2 336.501 3.016 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1oc2ccccc2c1CC ZINC001051263525 1348411654 /nfs/dbraw/zinc/41/16/54/1348411654.db2.gz DFFUXKMTDMYYSL-HNNXBMFYSA-N 1 2 342.439 3.002 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1oc2ccccc2c1CC ZINC001051263525 1348411657 /nfs/dbraw/zinc/41/16/57/1348411657.db2.gz DFFUXKMTDMYYSL-HNNXBMFYSA-N 1 2 342.439 3.002 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)c3ccco3)cccc2C1 ZINC001051277642 1348414610 /nfs/dbraw/zinc/41/46/10/1348414610.db2.gz SNQKHGQMFGHDDW-UHFFFAOYSA-N 1 2 330.815 3.320 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)c3ccco3)cccc2C1 ZINC001051277642 1348414612 /nfs/dbraw/zinc/41/46/12/1348414612.db2.gz SNQKHGQMFGHDDW-UHFFFAOYSA-N 1 2 330.815 3.320 20 30 EGEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C3(C)CCCCCC3)C2)CC1 ZINC001052036996 1348499086 /nfs/dbraw/zinc/49/90/86/1348499086.db2.gz AQZQQNFSTUVFAF-IBGZPJMESA-N 1 2 347.547 3.142 20 30 EGEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C3(CC)CCCCC3)C2)CC1 ZINC001052119308 1348503504 /nfs/dbraw/zinc/50/35/04/1348503504.db2.gz OOZGPQACICKRQO-IBGZPJMESA-N 1 2 347.547 3.142 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc(C3CCC3)cc1)CCO2 ZINC001053280354 1348990745 /nfs/dbraw/zinc/99/07/45/1348990745.db2.gz CPWXRDUIKRWMRC-UHFFFAOYSA-N 1 2 340.467 3.057 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(C(C)(C)C)cc1)O2 ZINC001053690625 1349093121 /nfs/dbraw/zinc/09/31/21/1349093121.db2.gz OUOXHSWHXYGGHR-GOSISDBHSA-N 1 2 342.483 3.133 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2COC3(C[NH+]([C@H](C)c4ccccc4)C3)C2)C1 ZINC001053917107 1349123949 /nfs/dbraw/zinc/12/39/49/1349123949.db2.gz ZZRJIWPFCYUKKO-AEFFLSMTSA-N 1 2 340.467 3.063 20 30 EGEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1occc1CC ZINC001054052400 1349140240 /nfs/dbraw/zinc/14/02/40/1349140240.db2.gz WJKOWSICLPCZTM-LJQANCHMSA-N 1 2 336.435 3.022 20 30 EGEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1occc1CC ZINC001054052400 1349140246 /nfs/dbraw/zinc/14/02/46/1349140246.db2.gz WJKOWSICLPCZTM-LJQANCHMSA-N 1 2 336.435 3.022 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc(C(C)C)nc3)cc2C1 ZINC001054267875 1349265426 /nfs/dbraw/zinc/26/54/26/1349265426.db2.gz ISQIESKLEZJMOV-UHFFFAOYSA-N 1 2 333.435 3.084 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc(C(C)C)nc3)cc2C1 ZINC001054267875 1349265429 /nfs/dbraw/zinc/26/54/29/1349265429.db2.gz ISQIESKLEZJMOV-UHFFFAOYSA-N 1 2 333.435 3.084 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc(F)c(Cl)c3)cc2C1 ZINC001054279793 1349280648 /nfs/dbraw/zinc/28/06/48/1349280648.db2.gz NOQKFZQXCFDIFS-UHFFFAOYSA-N 1 2 342.801 3.358 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc(F)c(Cl)c3)cc2C1 ZINC001054279793 1349280652 /nfs/dbraw/zinc/28/06/52/1349280652.db2.gz NOQKFZQXCFDIFS-UHFFFAOYSA-N 1 2 342.801 3.358 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)C3[C@H]4CCCCCC[C@H]34)cc2C1 ZINC001054283785 1349285340 /nfs/dbraw/zinc/28/53/40/1349285340.db2.gz QJUHYJDDFJQXGJ-PMACEKPBSA-N 1 2 336.479 3.468 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)C3[C@H]4CCCCCC[C@H]34)cc2C1 ZINC001054283785 1349285341 /nfs/dbraw/zinc/28/53/41/1349285341.db2.gz QJUHYJDDFJQXGJ-PMACEKPBSA-N 1 2 336.479 3.468 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc4cccnc4s3)cc2C1 ZINC001054288955 1349293722 /nfs/dbraw/zinc/29/37/22/1349293722.db2.gz OYFIWYPZOATXPF-UHFFFAOYSA-N 1 2 347.443 3.175 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc4cccnc4s3)cc2C1 ZINC001054288955 1349293726 /nfs/dbraw/zinc/29/37/26/1349293726.db2.gz OYFIWYPZOATXPF-UHFFFAOYSA-N 1 2 347.443 3.175 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc4c(C)cccn4c3)cc2C1 ZINC001054289521 1349294098 /nfs/dbraw/zinc/29/40/98/1349294098.db2.gz JYQAATFNMVRJFC-UHFFFAOYSA-N 1 2 343.430 3.127 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc4c(C)cccn4c3)cc2C1 ZINC001054289521 1349294099 /nfs/dbraw/zinc/29/40/99/1349294099.db2.gz JYQAATFNMVRJFC-UHFFFAOYSA-N 1 2 343.430 3.127 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-c3ccco3)o2)C1 ZINC001080103865 1357486474 /nfs/dbraw/zinc/48/64/74/1357486474.db2.gz ZNVLKDZATQRONA-DGCLKSJQSA-N 1 2 334.803 3.342 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-c3ccco3)o2)C1 ZINC001080103865 1357486477 /nfs/dbraw/zinc/48/64/77/1357486477.db2.gz ZNVLKDZATQRONA-DGCLKSJQSA-N 1 2 334.803 3.342 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H](Nc3cc(C)[nH+]c(C4CC4)n3)C2)CC1 ZINC001059051664 1350350002 /nfs/dbraw/zinc/35/00/02/1350350002.db2.gz ZUBWYQARJWTOBN-KRWDZBQOSA-N 1 2 340.471 3.422 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001080215674 1357525812 /nfs/dbraw/zinc/52/58/12/1357525812.db2.gz ZCNZBZLCBDXCFB-SJKOYZFVSA-N 1 2 331.847 3.279 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001080215674 1357525815 /nfs/dbraw/zinc/52/58/15/1357525815.db2.gz ZCNZBZLCBDXCFB-SJKOYZFVSA-N 1 2 331.847 3.279 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001061259442 1351330560 /nfs/dbraw/zinc/33/05/60/1351330560.db2.gz OUYRBIYFEFDPPA-XLIONFOSSA-N 1 2 344.503 3.431 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC001080382448 1357596699 /nfs/dbraw/zinc/59/66/99/1357596699.db2.gz LWPOYJYOBMFBKO-TZMCWYRMSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC001080382448 1357596702 /nfs/dbraw/zinc/59/67/02/1357596702.db2.gz LWPOYJYOBMFBKO-TZMCWYRMSA-N 1 2 343.309 3.302 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2CNc2cc[nH+]c(C)n2)cc1 ZINC001064185783 1352512768 /nfs/dbraw/zinc/51/27/68/1352512768.db2.gz FBQYVOGVKQKERR-RBUKOAKNSA-N 1 2 348.450 3.167 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CCC[C@@H]3CCC)c2C1 ZINC001069864875 1354290126 /nfs/dbraw/zinc/29/01/26/1354290126.db2.gz KUXLSFQYYMSBOK-WMZOPIPTSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CCC[C@@H]3CCC)c2C1 ZINC001069864875 1354290129 /nfs/dbraw/zinc/29/01/29/1354290129.db2.gz KUXLSFQYYMSBOK-WMZOPIPTSA-N 1 2 344.503 3.107 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)C1CCCCC1)C[C@H](C)O2 ZINC001071131220 1354469260 /nfs/dbraw/zinc/46/92/60/1354469260.db2.gz BXPBJQHOCARHGE-MAUKXSAKSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1CCCCC1)C[C@H](C)O2 ZINC001071131220 1354469266 /nfs/dbraw/zinc/46/92/66/1354469266.db2.gz BXPBJQHOCARHGE-MAUKXSAKSA-N 1 2 340.895 3.011 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)c2ccco2)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC001071312329 1354570706 /nfs/dbraw/zinc/57/07/06/1354570706.db2.gz JJQJGNVHDAPZRQ-CZUORRHYSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)c2ccco2)C[N@H+]1Cc1ccc(C#N)cc1F ZINC001071312329 1354570708 /nfs/dbraw/zinc/57/07/08/1354570708.db2.gz JJQJGNVHDAPZRQ-CZUORRHYSA-N 1 2 341.386 3.073 20 30 EGEDLO Cc1ccoc1C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001071351881 1354620772 /nfs/dbraw/zinc/62/07/72/1354620772.db2.gz JLPSJSKJIMRNAQ-YJBOKZPZSA-N 1 2 337.423 3.243 20 30 EGEDLO Cc1ccoc1C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001071351881 1354620776 /nfs/dbraw/zinc/62/07/76/1354620776.db2.gz JLPSJSKJIMRNAQ-YJBOKZPZSA-N 1 2 337.423 3.243 20 30 EGEDLO CC(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001071359341 1354628686 /nfs/dbraw/zinc/62/86/86/1354628686.db2.gz RNLCLZFEPOZJIV-DOTOQJQBSA-N 1 2 332.875 3.317 20 30 EGEDLO CC(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001071359341 1354628690 /nfs/dbraw/zinc/62/86/90/1354628690.db2.gz RNLCLZFEPOZJIV-DOTOQJQBSA-N 1 2 332.875 3.317 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)CC2CCC2)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC001071399268 1354661189 /nfs/dbraw/zinc/66/11/89/1354661189.db2.gz QFCKQPXJRTXDAU-AUUYWEPGSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)CC2CCC2)C[N@H+]1Cc1cc(F)ccc1C#N ZINC001071399268 1354661192 /nfs/dbraw/zinc/66/11/92/1354661192.db2.gz QFCKQPXJRTXDAU-AUUYWEPGSA-N 1 2 343.446 3.357 20 30 EGEDLO Cc1cccnc1C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001071416440 1354681070 /nfs/dbraw/zinc/68/10/70/1354681070.db2.gz JFSXOCGMJFJZJM-APWZRJJASA-N 1 2 348.450 3.045 20 30 EGEDLO Cc1cccnc1C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001071416440 1354681076 /nfs/dbraw/zinc/68/10/76/1354681076.db2.gz JFSXOCGMJFJZJM-APWZRJJASA-N 1 2 348.450 3.045 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C2=CCCC2)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC001071417536 1354682148 /nfs/dbraw/zinc/68/21/48/1354682148.db2.gz VXEOGTGNUYGTDH-KUHUBIRLSA-N 1 2 341.430 3.277 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C2=CCCC2)C[N@H+]1Cc1cc(F)ccc1C#N ZINC001071417536 1354682151 /nfs/dbraw/zinc/68/21/51/1354682151.db2.gz VXEOGTGNUYGTDH-KUHUBIRLSA-N 1 2 341.430 3.277 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)C2CC(C)(C)C2)CC[C@@H]1C ZINC001071477854 1354716594 /nfs/dbraw/zinc/71/65/94/1354716594.db2.gz PXWCYHNQCKHFMH-JSGCOSHPSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)C2CC(C)(C)C2)CC[C@@H]1C ZINC001071477854 1354716599 /nfs/dbraw/zinc/71/65/99/1354716599.db2.gz PXWCYHNQCKHFMH-JSGCOSHPSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccnc2C2CC2)CC[C@H]1C ZINC001071647321 1354825182 /nfs/dbraw/zinc/82/51/82/1354825182.db2.gz GSPNMBMWOZIWNK-UKRRQHHQSA-N 1 2 333.863 3.294 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cccnc2C2CC2)CC[C@H]1C ZINC001071647321 1354825188 /nfs/dbraw/zinc/82/51/88/1354825188.db2.gz GSPNMBMWOZIWNK-UKRRQHHQSA-N 1 2 333.863 3.294 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)CCOC3)CC[C@@H]1C ZINC001071678881 1354846414 /nfs/dbraw/zinc/84/64/14/1354846414.db2.gz HHIAVKQNDYIYKO-KSSFIOAISA-N 1 2 348.874 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)CCOC3)CC[C@@H]1C ZINC001071678881 1354846415 /nfs/dbraw/zinc/84/64/15/1354846415.db2.gz HHIAVKQNDYIYKO-KSSFIOAISA-N 1 2 348.874 3.095 20 30 EGEDLO Cc1coc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3ccc(C#N)s3)C2)c1 ZINC001071748716 1354899648 /nfs/dbraw/zinc/89/96/48/1354899648.db2.gz QIXJKGZCVDYEHN-KGLIPLIRSA-N 1 2 343.452 3.304 20 30 EGEDLO Cc1coc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3ccc(C#N)s3)C2)c1 ZINC001071748716 1354899651 /nfs/dbraw/zinc/89/96/51/1354899651.db2.gz QIXJKGZCVDYEHN-KGLIPLIRSA-N 1 2 343.452 3.304 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2c(C)[nH]nc2C(C)C)CC[C@H]1C ZINC001071976762 1355056382 /nfs/dbraw/zinc/05/63/82/1355056382.db2.gz HZJDUWUQKLXXHM-TZMCWYRMSA-N 1 2 338.883 3.177 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2c(C)[nH]nc2C(C)C)CC[C@H]1C ZINC001071976762 1355056386 /nfs/dbraw/zinc/05/63/86/1355056386.db2.gz HZJDUWUQKLXXHM-TZMCWYRMSA-N 1 2 338.883 3.177 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc(COC)cc2)CC[C@@H]1C ZINC001072058782 1355108030 /nfs/dbraw/zinc/10/80/30/1355108030.db2.gz RLHTWNKEIZHBSN-YOEHRIQHSA-N 1 2 336.863 3.168 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc(COC)cc2)CC[C@@H]1C ZINC001072058782 1355108031 /nfs/dbraw/zinc/10/80/31/1355108031.db2.gz RLHTWNKEIZHBSN-YOEHRIQHSA-N 1 2 336.863 3.168 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001073617748 1355846270 /nfs/dbraw/zinc/84/62/70/1355846270.db2.gz LPGTYKYGEXDFOF-SJORKVTESA-N 1 2 340.895 3.083 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001073617748 1355846272 /nfs/dbraw/zinc/84/62/72/1355846272.db2.gz LPGTYKYGEXDFOF-SJORKVTESA-N 1 2 340.895 3.083 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001073905105 1355949606 /nfs/dbraw/zinc/94/96/06/1355949606.db2.gz VPRXKVPPHIGZPY-JKSUJKDBSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001073905105 1355949610 /nfs/dbraw/zinc/94/96/10/1355949610.db2.gz VPRXKVPPHIGZPY-JKSUJKDBSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001073905104 1355949723 /nfs/dbraw/zinc/94/97/23/1355949723.db2.gz VPRXKVPPHIGZPY-HZPDHXFCSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001073905104 1355949726 /nfs/dbraw/zinc/94/97/26/1355949726.db2.gz VPRXKVPPHIGZPY-HZPDHXFCSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(C)cc(Cl)c3)C[C@@H]21 ZINC001074298098 1356158379 /nfs/dbraw/zinc/15/83/79/1356158379.db2.gz YSXWWKBKPYXOFS-ROUUACIJSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(C)cc(Cl)c3)C[C@@H]21 ZINC001074298098 1356158380 /nfs/dbraw/zinc/15/83/80/1356158380.db2.gz YSXWWKBKPYXOFS-ROUUACIJSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(Cl)cc3C)C[C@@H]21 ZINC001074332070 1356172675 /nfs/dbraw/zinc/17/26/75/1356172675.db2.gz QTKITLFEALJRNQ-ROUUACIJSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(Cl)cc3C)C[C@@H]21 ZINC001074332070 1356172677 /nfs/dbraw/zinc/17/26/77/1356172677.db2.gz QTKITLFEALJRNQ-ROUUACIJSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(Cl)c3F)[C@@H]2C1 ZINC001076200077 1356518254 /nfs/dbraw/zinc/51/82/54/1356518254.db2.gz FNUZJQKGYGTFOR-SMDDNHRTSA-N 1 2 343.229 3.378 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(Cl)c3F)[C@@H]2C1 ZINC001076200077 1356518260 /nfs/dbraw/zinc/51/82/60/1356518260.db2.gz FNUZJQKGYGTFOR-SMDDNHRTSA-N 1 2 343.229 3.378 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccccc3Cl)[C@@H]2C1 ZINC001076487623 1356591666 /nfs/dbraw/zinc/59/16/66/1356591666.db2.gz GKPXGBSYQMTURE-SWLSCSKDSA-N 1 2 325.239 3.239 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccccc3Cl)[C@@H]2C1 ZINC001076487623 1356591669 /nfs/dbraw/zinc/59/16/69/1356591669.db2.gz GKPXGBSYQMTURE-SWLSCSKDSA-N 1 2 325.239 3.239 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001098567476 1363380166 /nfs/dbraw/zinc/38/01/66/1363380166.db2.gz CEKQKCLNHKLSEW-INIZCTEOSA-N 1 2 340.471 3.116 20 30 EGEDLO C=CCn1cnn(C[N@@H+](C)C[C@H](C)Cc2ccc(OC)cc2)c1=S ZINC001323093271 1387287666 /nfs/dbraw/zinc/28/76/66/1387287666.db2.gz VWDBAGOEPJJSDF-OAHLLOKOSA-N 1 2 346.500 3.377 20 30 EGEDLO C=CCn1cnn(C[N@H+](C)C[C@H](C)Cc2ccc(OC)cc2)c1=S ZINC001323093271 1387287669 /nfs/dbraw/zinc/28/76/69/1387287669.db2.gz VWDBAGOEPJJSDF-OAHLLOKOSA-N 1 2 346.500 3.377 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3cccc(F)c3o2)C1 ZINC001080977020 1357772153 /nfs/dbraw/zinc/77/21/53/1357772153.db2.gz SUHFRAURDQRBLN-QMTHXVAHSA-N 1 2 336.794 3.375 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3cccc(F)c3o2)C1 ZINC001080977020 1357772156 /nfs/dbraw/zinc/77/21/56/1357772156.db2.gz SUHFRAURDQRBLN-QMTHXVAHSA-N 1 2 336.794 3.375 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC(F)(F)C3)[C@@H]2C1 ZINC001084395503 1358206772 /nfs/dbraw/zinc/20/67/72/1358206772.db2.gz XMULZCOGVIWEOL-MGPQQGTHSA-N 1 2 332.822 3.097 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC(F)(F)C3)[C@@H]2C1 ZINC001084395503 1358206774 /nfs/dbraw/zinc/20/67/74/1358206774.db2.gz XMULZCOGVIWEOL-MGPQQGTHSA-N 1 2 332.822 3.097 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C)nc3C3CC3)[C@@H]2C1 ZINC001084552500 1358236047 /nfs/dbraw/zinc/23/60/47/1358236047.db2.gz DWBIYAXUDQIEOH-NVXWUHKLSA-N 1 2 345.874 3.166 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C)nc3C3CC3)[C@@H]2C1 ZINC001084552500 1358236052 /nfs/dbraw/zinc/23/60/52/1358236052.db2.gz DWBIYAXUDQIEOH-NVXWUHKLSA-N 1 2 345.874 3.166 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc4cc(F)ccc4[nH]3)[C@@H]2C1 ZINC001084564923 1358239557 /nfs/dbraw/zinc/23/95/57/1358239557.db2.gz JUPKMOICFTVLTN-SJKOYZFVSA-N 1 2 347.821 3.206 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4cc(F)ccc4[nH]3)[C@@H]2C1 ZINC001084564923 1358239562 /nfs/dbraw/zinc/23/95/62/1358239562.db2.gz JUPKMOICFTVLTN-SJKOYZFVSA-N 1 2 347.821 3.206 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccnc(Cl)c3)C[C@H]21 ZINC001084574046 1358241699 /nfs/dbraw/zinc/24/16/99/1358241699.db2.gz NVFQHDQKGJUIPW-HZPDHXFCSA-N 1 2 347.890 3.370 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccnc(Cl)c3)C[C@H]21 ZINC001084574046 1358241702 /nfs/dbraw/zinc/24/17/02/1358241702.db2.gz NVFQHDQKGJUIPW-HZPDHXFCSA-N 1 2 347.890 3.370 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(F)c(Cl)c3)[C@@H]2C1 ZINC001084618858 1358256256 /nfs/dbraw/zinc/25/62/56/1358256256.db2.gz KKLHJYDXAWIDNU-IUODEOHRSA-N 1 2 343.229 3.378 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(F)c(Cl)c3)[C@@H]2C1 ZINC001084618858 1358256262 /nfs/dbraw/zinc/25/62/62/1358256262.db2.gz KKLHJYDXAWIDNU-IUODEOHRSA-N 1 2 343.229 3.378 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2C1 ZINC001084812947 1358318486 /nfs/dbraw/zinc/31/84/86/1358318486.db2.gz GXOCPDNAFPMKBK-RTBURBONSA-N 1 2 344.886 3.464 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2C1 ZINC001084812947 1358318491 /nfs/dbraw/zinc/31/84/91/1358318491.db2.gz GXOCPDNAFPMKBK-RTBURBONSA-N 1 2 344.886 3.464 20 30 EGEDLO Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)s1 ZINC001085460636 1358513895 /nfs/dbraw/zinc/51/38/95/1358513895.db2.gz MMCFMNAGAHMBTD-QGZVFWFLSA-N 1 2 339.464 3.275 20 30 EGEDLO Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)s1 ZINC001085460636 1358513899 /nfs/dbraw/zinc/51/38/99/1358513899.db2.gz MMCFMNAGAHMBTD-QGZVFWFLSA-N 1 2 339.464 3.275 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1)C(=O)c1ccc(Cl)o1 ZINC001085488097 1358542219 /nfs/dbraw/zinc/54/22/19/1358542219.db2.gz QWLLPVSHCZJXNT-HNNXBMFYSA-N 1 2 343.814 3.151 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1)C(=O)c1ccc(Cl)o1 ZINC001085488097 1358542221 /nfs/dbraw/zinc/54/22/21/1358542221.db2.gz QWLLPVSHCZJXNT-HNNXBMFYSA-N 1 2 343.814 3.151 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001085607739 1358628943 /nfs/dbraw/zinc/62/89/43/1358628943.db2.gz YQQXWEAEKDTSEE-SQBLYHGDSA-N 1 2 349.478 3.193 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001085607739 1358628945 /nfs/dbraw/zinc/62/89/45/1358628945.db2.gz YQQXWEAEKDTSEE-SQBLYHGDSA-N 1 2 349.478 3.193 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)c1[nH]ccc1C1CC1 ZINC001085636705 1358651839 /nfs/dbraw/zinc/65/18/39/1358651839.db2.gz XRBGTHPMMIICMT-GOSISDBHSA-N 1 2 348.450 3.110 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)c1[nH]ccc1C1CC1 ZINC001085636705 1358651843 /nfs/dbraw/zinc/65/18/43/1358651843.db2.gz XRBGTHPMMIICMT-GOSISDBHSA-N 1 2 348.450 3.110 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)C12CCC(CC1)C2 ZINC001085675155 1358679393 /nfs/dbraw/zinc/67/93/93/1358679393.db2.gz MFJJMJNPOSPVJT-XAUUPUKJSA-N 1 2 343.496 3.233 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)C12CCC(CC1)C2 ZINC001085675155 1358679395 /nfs/dbraw/zinc/67/93/95/1358679395.db2.gz MFJJMJNPOSPVJT-XAUUPUKJSA-N 1 2 343.496 3.233 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)C1CC2(CCC2)C1 ZINC001085766834 1358742368 /nfs/dbraw/zinc/74/23/68/1358742368.db2.gz RWDCDFIQKXFJTA-FQEVSTJZSA-N 1 2 336.479 3.151 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)C1CC2(CCC2)C1 ZINC001085766834 1358742372 /nfs/dbraw/zinc/74/23/72/1358742372.db2.gz RWDCDFIQKXFJTA-FQEVSTJZSA-N 1 2 336.479 3.151 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CC#Cc2ccccc2)CC1 ZINC001085797877 1358773316 /nfs/dbraw/zinc/77/33/16/1358773316.db2.gz CMSHWDHSLCLZKM-OAQYLSRUSA-N 1 2 336.479 3.317 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CC#Cc2ccccc2)CC1 ZINC001085797877 1358773318 /nfs/dbraw/zinc/77/33/18/1358773318.db2.gz CMSHWDHSLCLZKM-OAQYLSRUSA-N 1 2 336.479 3.317 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N ZINC001085829016 1358797063 /nfs/dbraw/zinc/79/70/63/1358797063.db2.gz MDAMNOGQXUFWHH-HSALFYBXSA-N 1 2 339.483 3.273 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccccc1C#N ZINC001085829016 1358797066 /nfs/dbraw/zinc/79/70/66/1358797066.db2.gz MDAMNOGQXUFWHH-HSALFYBXSA-N 1 2 339.483 3.273 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nc(Cl)sc2C)[C@H]1CC ZINC001087652982 1359572154 /nfs/dbraw/zinc/57/21/54/1359572154.db2.gz XVTWVQIZQDMPPZ-WDEREUQCSA-N 1 2 348.299 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nc(Cl)sc2C)[C@H]1CC ZINC001087652982 1359572156 /nfs/dbraw/zinc/57/21/56/1359572156.db2.gz XVTWVQIZQDMPPZ-WDEREUQCSA-N 1 2 348.299 3.440 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C)o3)[C@@H]2CC)CC1 ZINC001087713956 1359605856 /nfs/dbraw/zinc/60/58/56/1359605856.db2.gz WVVZNPHGLCRNOU-DLBZAZTESA-N 1 2 331.460 3.199 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C)o3)[C@@H]2CC)CC1 ZINC001087713956 1359605859 /nfs/dbraw/zinc/60/58/59/1359605859.db2.gz WVVZNPHGLCRNOU-DLBZAZTESA-N 1 2 331.460 3.199 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](C/C(Cl)=C/Cl)CC[C@@H]2C1 ZINC001088067205 1359741360 /nfs/dbraw/zinc/74/13/60/1359741360.db2.gz SMCWLVRBMSNVMH-PTRWATSXSA-N 1 2 331.287 3.298 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](C/C(Cl)=C/Cl)CC[C@@H]2C1 ZINC001088067205 1359741364 /nfs/dbraw/zinc/74/13/64/1359741364.db2.gz SMCWLVRBMSNVMH-PTRWATSXSA-N 1 2 331.287 3.298 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCCCC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001088359074 1359842544 /nfs/dbraw/zinc/84/25/44/1359842544.db2.gz QMQOZGRDAMPUSH-CQSZACIVSA-N 1 2 336.505 3.001 20 30 EGEDLO CC1CC(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3Cl)[C@@H]2C)C1 ZINC001088516456 1359952765 /nfs/dbraw/zinc/95/27/65/1359952765.db2.gz VKSMWIKDXCSQAS-RYBRAKCQSA-N 1 2 344.886 3.317 20 30 EGEDLO CC1CC(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)[C@@H]2C)C1 ZINC001088516456 1359952769 /nfs/dbraw/zinc/95/27/69/1359952769.db2.gz VKSMWIKDXCSQAS-RYBRAKCQSA-N 1 2 344.886 3.317 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)cc3F)[C@@H]2C)C1 ZINC001088839777 1360074387 /nfs/dbraw/zinc/07/43/87/1360074387.db2.gz DQJIDOBDEJDCPR-DYVFJYSZSA-N 1 2 334.410 3.400 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)cc3F)[C@@H]2C)C1 ZINC001088839777 1360074391 /nfs/dbraw/zinc/07/43/91/1360074391.db2.gz DQJIDOBDEJDCPR-DYVFJYSZSA-N 1 2 334.410 3.400 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC23CCCC3)[C@H]1C ZINC001088957900 1360115235 /nfs/dbraw/zinc/11/52/35/1360115235.db2.gz CJMZROHEMBVINJ-RDBSUJKOSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC23CCCC3)[C@H]1C ZINC001088957900 1360115239 /nfs/dbraw/zinc/11/52/39/1360115239.db2.gz CJMZROHEMBVINJ-RDBSUJKOSA-N 1 2 341.293 3.054 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089158919 1360214445 /nfs/dbraw/zinc/21/44/45/1360214445.db2.gz JZRPQNFCUBYIMC-WBMJQRKESA-N 1 2 330.476 3.088 20 30 EGEDLO C=CCCC(=O)N[C@@H](C)C[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001089251060 1360282491 /nfs/dbraw/zinc/28/24/91/1360282491.db2.gz SPIBHCIAJDICGQ-UONOGXRCSA-N 1 2 330.476 3.325 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cccnc1C ZINC001089688338 1360594216 /nfs/dbraw/zinc/59/42/16/1360594216.db2.gz SQOKBWRHFBLJQP-HNNXBMFYSA-N 1 2 335.879 3.363 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cccnc1C ZINC001089688338 1360594221 /nfs/dbraw/zinc/59/42/21/1360594221.db2.gz SQOKBWRHFBLJQP-HNNXBMFYSA-N 1 2 335.879 3.363 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)N(CC)c1nc(C)[nH+]c(C)c1C ZINC001089721435 1360624083 /nfs/dbraw/zinc/62/40/83/1360624083.db2.gz SSQDMYHGYNHRLY-ZIAGYGMSSA-N 1 2 332.492 3.335 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001090772277 1360935406 /nfs/dbraw/zinc/93/54/06/1360935406.db2.gz CBBCJHZVFPXWIZ-FZKQIMNGSA-N 1 2 342.487 3.111 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001090806299 1360938779 /nfs/dbraw/zinc/93/87/79/1360938779.db2.gz XPOKWIKPFVBHQN-UKPHBRMFSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2CCN(c3cc(C)[nH+]c(C4CC4)n3)[C@H]2C1 ZINC001091203191 1361006513 /nfs/dbraw/zinc/00/65/13/1361006513.db2.gz UQEIQVBRWPSEQN-RDJZCZTQSA-N 1 2 340.471 3.056 20 30 EGEDLO C=CCCC(=O)NC[C@H]1CCC(C)(C)CN1c1nc(C)[nH+]c(C)c1C ZINC001092114357 1361305800 /nfs/dbraw/zinc/30/58/00/1361305800.db2.gz HVRCMFQODROCIU-QGZVFWFLSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001092433151 1361381059 /nfs/dbraw/zinc/38/10/59/1361381059.db2.gz XVSDGBAIFUHVIU-PMUMKWKESA-N 1 2 344.503 3.193 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001092434883 1361382099 /nfs/dbraw/zinc/38/20/99/1361382099.db2.gz ONKXDBCFRIIRMF-GDBMZVCRSA-N 1 2 344.503 3.309 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(C(C)C)n1 ZINC001093034278 1361511914 /nfs/dbraw/zinc/51/19/14/1361511914.db2.gz FCKNNRPCYXMLIN-OAGGEKHMSA-N 1 2 342.487 3.347 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC1(Nc2cc[nH+]c(C)n2)CCCCC1 ZINC001093402901 1361607603 /nfs/dbraw/zinc/60/76/03/1361607603.db2.gz 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C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3cc(C)cc(F)c3)CC2)C1 ZINC001093575963 1361647192 /nfs/dbraw/zinc/64/71/92/1361647192.db2.gz LMEAYKCJYJAMON-UHFFFAOYSA-N 1 2 346.446 3.016 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@]3(C)CCC(C)=C(C)C3)CC2)C1 ZINC001093600180 1361654709 /nfs/dbraw/zinc/65/47/09/1361654709.db2.gz PBYIGZKVWYEJOZ-OAQYLSRUSA-N 1 2 346.515 3.391 20 30 EGEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cccs1 ZINC001095129236 1362024951 /nfs/dbraw/zinc/02/49/51/1362024951.db2.gz NUQWKWYTRBBFFR-SQNIBIBYSA-N 1 2 336.460 3.135 20 30 EGEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cccs1 ZINC001095129236 1362024955 /nfs/dbraw/zinc/02/49/55/1362024955.db2.gz NUQWKWYTRBBFFR-SQNIBIBYSA-N 1 2 336.460 3.135 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001095150684 1362033244 /nfs/dbraw/zinc/03/32/44/1362033244.db2.gz QFGBQQTZRNETRC-SJORKVTESA-N 1 2 330.476 3.041 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3oc(C)nc3c1)C2 ZINC001095595809 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330.476 3.253 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]c(CC)n1 ZINC001102200992 1364929995 /nfs/dbraw/zinc/92/99/95/1364929995.db2.gz FHUWNJBPGVPKJM-IYBDPMFKSA-N 1 2 342.487 3.129 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H](CN(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102448097 1365061681 /nfs/dbraw/zinc/06/16/81/1365061681.db2.gz CIYHZZTVOPACDT-INIZCTEOSA-N 1 2 342.487 3.303 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]c(C(C)C)n1 ZINC001102571286 1365120035 /nfs/dbraw/zinc/12/00/35/1365120035.db2.gz PAYRORLSTBTFHB-XIRDDKMYSA-N 1 2 342.487 3.300 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3nc(C(C)C)no3)C2)CCC1 ZINC001185469298 1387723350 /nfs/dbraw/zinc/72/33/50/1387723350.db2.gz RUQOOEQBTCHURR-HUUCEWRRSA-N 1 2 346.475 3.191 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102752732 1365202123 /nfs/dbraw/zinc/20/21/23/1365202123.db2.gz MVTHTGPWYOXLCK-PBHICJAKSA-N 1 2 342.487 3.302 20 30 EGEDLO C=CCCCC(=O)N(C)[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001102757597 1365204402 /nfs/dbraw/zinc/20/44/02/1365204402.db2.gz LEXRQWRHGTUWHG-INIZCTEOSA-N 1 2 330.476 3.302 20 30 EGEDLO C=CCCCC(=O)N(CC)[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102829152 1365241569 /nfs/dbraw/zinc/24/15/69/1365241569.db2.gz KRAXQOJNSZGDOC-QGZVFWFLSA-N 1 2 330.476 3.185 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CCCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102889199 1365276288 /nfs/dbraw/zinc/27/62/88/1365276288.db2.gz UDXXNBSORWUZHO-GOSISDBHSA-N 1 2 342.487 3.071 20 30 EGEDLO C=CC(C)(C)CC(=O)NCC[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001102931639 1365298255 /nfs/dbraw/zinc/29/82/55/1365298255.db2.gz CKHMTDULIQNNLL-INIZCTEOSA-N 1 2 330.476 3.110 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCC[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001102941976 1365306651 /nfs/dbraw/zinc/30/66/51/1365306651.db2.gz QCUHASZBSBSXKQ-APWZRJJASA-N 1 2 330.476 3.110 20 30 EGEDLO CC[C@H](CNC(=O)[C@@H](C)C#N)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001103029312 1365346542 /nfs/dbraw/zinc/34/65/42/1365346542.db2.gz QGDHHPHTXJZLGM-UONOGXRCSA-N 1 2 331.464 3.190 20 30 EGEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC001324694970 1387740336 /nfs/dbraw/zinc/74/03/36/1387740336.db2.gz GBHVUZLDIGGZBF-LLVKDONJSA-N 1 2 332.753 3.189 20 30 EGEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC001324694970 1387740338 /nfs/dbraw/zinc/74/03/38/1387740338.db2.gz GBHVUZLDIGGZBF-LLVKDONJSA-N 1 2 332.753 3.189 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H](CC)Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001103307333 1365485055 /nfs/dbraw/zinc/48/50/55/1365485055.db2.gz LONMJRMIOVGWRZ-HNNXBMFYSA-N 1 2 342.487 3.327 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@](C)(CNc1cc[nH+]c(C)n1)C1CC1 ZINC001103547373 1365626731 /nfs/dbraw/zinc/62/67/31/1365626731.db2.gz JZRYYTQRHSDQDC-IBGZPJMESA-N 1 2 328.460 3.250 20 30 EGEDLO C#CCCCC(=O)N[C@@]1(CNc2cc[nH+]c(C)n2)CCCC[C@H]1C ZINC001103599364 1365665089 /nfs/dbraw/zinc/66/50/89/1365665089.db2.gz LRKITSYTJMGKAG-DNVCBOLYSA-N 1 2 328.460 3.066 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001103616331 1365679861 /nfs/dbraw/zinc/67/98/61/1365679861.db2.gz OCOZAJQKGSTPTQ-IRXDYDNUSA-N 1 2 330.476 3.428 20 30 EGEDLO CC#CCCCC(=O)NCC[C@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001103774132 1365778303 /nfs/dbraw/zinc/77/83/03/1365778303.db2.gz MFQLZFVVSWBZQJ-GOSISDBHSA-N 1 2 342.487 3.071 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104161384 1365931514 /nfs/dbraw/zinc/93/15/14/1365931514.db2.gz PCPYGYFZVQDEJR-CABCVRRESA-N 1 2 344.503 3.430 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(F)(F)C(F)F)C1 ZINC001104493793 1366047799 /nfs/dbraw/zinc/04/77/99/1366047799.db2.gz OKIGTHYMRJRGHJ-VXGBXAGGSA-N 1 2 338.389 3.173 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H](Nc3cc[nH+]c(C)n3)[C@@H](C)C2)CCC1 ZINC001105056730 1366297898 /nfs/dbraw/zinc/29/78/98/1366297898.db2.gz GNSCHQOMUTWGEX-HOCLYGCPSA-N 1 2 328.460 3.180 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N(C)CCN(C)c1nc(C)[nH+]c(C)c1C ZINC001105480605 1366487766 /nfs/dbraw/zinc/48/77/66/1366487766.db2.gz SKLFXMPCZRHRPI-UHFFFAOYSA-N 1 2 338.883 3.075 20 30 EGEDLO CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C(F)C(F)(F)F)CCC1 ZINC001105539542 1366518729 /nfs/dbraw/zinc/51/87/29/1366518729.db2.gz JOAXNUOZYYKCPH-ZIAGYGMSSA-N 1 2 348.384 3.051 20 30 EGEDLO CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H](F)C(F)(F)F)CCC1 ZINC001105539542 1366518730 /nfs/dbraw/zinc/51/87/30/1366518730.db2.gz JOAXNUOZYYKCPH-ZIAGYGMSSA-N 1 2 348.384 3.051 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CCC[C@H]2CNc2cc[nH+]c(C)n2)CC1 ZINC001105691043 1366575703 /nfs/dbraw/zinc/57/57/03/1366575703.db2.gz CBFDSORXXVMFIN-JKSUJKDBSA-N 1 2 328.460 3.228 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C(C)(C)CC(C)C)CC2)C1 ZINC001105731046 1366588161 /nfs/dbraw/zinc/58/81/61/1366588161.db2.gz JUIYRLDRDVYTDK-UHFFFAOYSA-N 1 2 336.520 3.327 20 30 EGEDLO C#CCC1(C(=O)N[C@H](C)CCNc2cc(C)[nH+]c(C(C)C)n2)CCC1 ZINC001106476225 1366706827 /nfs/dbraw/zinc/70/68/27/1366706827.db2.gz YCFRJDRDXNZEFF-OAHLLOKOSA-N 1 2 342.487 3.409 20 30 EGEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCCCCCCCC)nn2)C1 ZINC001107229358 1366899203 /nfs/dbraw/zinc/89/92/03/1366899203.db2.gz IQPYACXHMHGDGK-UHFFFAOYSA-N 1 2 347.507 3.078 20 30 EGEDLO C=CC(C)(C)CC(=O)NC/C=C/CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107360779 1366942490 /nfs/dbraw/zinc/94/24/90/1366942490.db2.gz BBDHSDXJTJACJB-CMDGGOBGSA-N 1 2 342.487 3.350 20 30 EGEDLO C#Cc1ccc(C(=O)NC/C=C/CNc2cc(C)[nH+]c(C(C)C)n2)cc1 ZINC001107455248 1366969705 /nfs/dbraw/zinc/96/97/05/1366969705.db2.gz OASFJSJCTWTWNC-VOTSOKGWSA-N 1 2 348.450 3.288 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NC/C=C\CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107456249 1366969853 /nfs/dbraw/zinc/96/98/53/1366969853.db2.gz KQDOFYRLSWNRQK-STUIXMSNSA-N 1 2 342.487 3.206 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NC/C=C/CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107456736 1366970411 /nfs/dbraw/zinc/97/04/11/1366970411.db2.gz SZZQOMUHRAKEJX-RPWHMATFSA-N 1 2 328.460 3.205 20 30 EGEDLO C=C(C)c1cccc(C(C)(C)NC(=O)NCCc2[nH+]ccn2C)c1 ZINC001189285295 1366976595 /nfs/dbraw/zinc/97/65/95/1366976595.db2.gz QAJOGLKOGIALQR-UHFFFAOYSA-N 1 2 326.444 3.230 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)/C=C\C(C)(C)C)C1 ZINC001189430143 1367020862 /nfs/dbraw/zinc/02/08/62/1367020862.db2.gz XONDYUUGFNEBJV-CNRGFGOASA-N 1 2 343.446 3.332 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)/C=C\C(C)(C)C)C1 ZINC001189430143 1367020865 /nfs/dbraw/zinc/02/08/65/1367020865.db2.gz XONDYUUGFNEBJV-CNRGFGOASA-N 1 2 343.446 3.332 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(Cl)c1 ZINC001109246017 1367023941 /nfs/dbraw/zinc/02/39/41/1367023941.db2.gz LFCCNJAFPUMPJI-JLSDUUJJSA-N 1 2 348.849 3.360 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(Cl)c1 ZINC001109246017 1367023945 /nfs/dbraw/zinc/02/39/45/1367023945.db2.gz LFCCNJAFPUMPJI-JLSDUUJJSA-N 1 2 348.849 3.360 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1F ZINC001109259614 1367030414 /nfs/dbraw/zinc/03/04/14/1367030414.db2.gz KKLYEJANBNAUEQ-NJAFHUGGSA-N 1 2 346.421 3.236 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1F ZINC001109259614 1367030419 /nfs/dbraw/zinc/03/04/19/1367030419.db2.gz KKLYEJANBNAUEQ-NJAFHUGGSA-N 1 2 346.421 3.236 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H](C)CC)[C@@H]2C1 ZINC001189514559 1367041128 /nfs/dbraw/zinc/04/11/28/1367041128.db2.gz JDDFZVILKRRLPA-AEGPPILISA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H](C)CC)[C@@H]2C1 ZINC001189514559 1367041133 /nfs/dbraw/zinc/04/11/33/1367041133.db2.gz JDDFZVILKRRLPA-AEGPPILISA-N 1 2 343.309 3.254 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@H]([N@H+](C)Cc2cc(O)ccc2Cl)C1 ZINC001189744080 1367100675 /nfs/dbraw/zinc/10/06/75/1367100675.db2.gz LYYLWAHOXOWGOL-INIZCTEOSA-N 1 2 348.874 3.272 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(O)ccc2Cl)C1 ZINC001189744080 1367100678 /nfs/dbraw/zinc/10/06/78/1367100678.db2.gz LYYLWAHOXOWGOL-INIZCTEOSA-N 1 2 348.874 3.272 20 30 EGEDLO C=CCCC(=O)NC[C@@]1(C)C[N@H+]([C@H](C)c2ccccc2F)CCO1 ZINC001107803497 1367154158 /nfs/dbraw/zinc/15/41/58/1367154158.db2.gz AQTYYPHKBIZHBZ-BEFAXECRSA-N 1 2 334.435 3.060 20 30 EGEDLO C=CCCC(=O)NC[C@@]1(C)C[N@@H+]([C@H](C)c2ccccc2F)CCO1 ZINC001107803497 1367154162 /nfs/dbraw/zinc/15/41/62/1367154162.db2.gz AQTYYPHKBIZHBZ-BEFAXECRSA-N 1 2 334.435 3.060 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2nc(C(C)C)no2)C1 ZINC001190391241 1367251096 /nfs/dbraw/zinc/25/10/96/1367251096.db2.gz YAFCUXFEUZXWPY-CABCVRRESA-N 1 2 348.491 3.389 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2nc(C(C)C)no2)C1 ZINC001190391241 1367251101 /nfs/dbraw/zinc/25/11/01/1367251101.db2.gz YAFCUXFEUZXWPY-CABCVRRESA-N 1 2 348.491 3.389 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2sc3ccccc3c2C)C1 ZINC001108061503 1367262332 /nfs/dbraw/zinc/26/23/32/1367262332.db2.gz NDTCKTVTXKQUOT-LJQANCHMSA-N 1 2 344.480 3.216 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2sc3ccccc3c2C)C1 ZINC001108061503 1367262335 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348.462 3.135 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC001108148838 1367310511 /nfs/dbraw/zinc/31/05/11/1367310511.db2.gz OUSZWPCDRWCMIT-OXQOHEQNSA-N 1 2 348.462 3.135 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@]1(C)C[N@H+](Cc2ccsc2)CCO1 ZINC001108151066 1367311660 /nfs/dbraw/zinc/31/16/60/1367311660.db2.gz LUQZAMSDRHLLHR-MAUKXSAKSA-N 1 2 336.501 3.058 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@]1(C)C[N@@H+](Cc2ccsc2)CCO1 ZINC001108151066 1367311666 /nfs/dbraw/zinc/31/16/66/1367311666.db2.gz LUQZAMSDRHLLHR-MAUKXSAKSA-N 1 2 336.501 3.058 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)CC2CCCCC2)C1 ZINC001108255661 1367365431 /nfs/dbraw/zinc/36/54/31/1367365431.db2.gz IZIXPVPNQSEYEU-QUCCMNQESA-N 1 2 336.520 3.376 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)CC2CCCCC2)C1 ZINC001108255661 1367365436 /nfs/dbraw/zinc/36/54/36/1367365436.db2.gz IZIXPVPNQSEYEU-QUCCMNQESA-N 1 2 336.520 3.376 20 30 EGEDLO 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C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccnc(Cl)c2)CC1 ZINC001196854400 1368700265 /nfs/dbraw/zinc/70/02/65/1368700265.db2.gz RCFUUPIIBAYJQY-LSDHHAIUSA-N 1 2 335.879 3.228 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001196879537 1368704832 /nfs/dbraw/zinc/70/48/32/1368704832.db2.gz CEBJUVOABANVHE-KRWDZBQOSA-N 1 2 325.456 3.195 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001196879537 1368704837 /nfs/dbraw/zinc/70/48/37/1368704837.db2.gz CEBJUVOABANVHE-KRWDZBQOSA-N 1 2 325.456 3.195 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[N@H+](Cc2cc(C3CC3)no2)CC1 ZINC001197292286 1368781969 /nfs/dbraw/zinc/78/19/69/1368781969.db2.gz VENCZPPEDAJMCX-UHFFFAOYSA-N 1 2 331.460 3.189 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[N@@H+](Cc2cc(C3CC3)no2)CC1 ZINC001197292286 1368781971 /nfs/dbraw/zinc/78/19/71/1368781971.db2.gz VENCZPPEDAJMCX-UHFFFAOYSA-N 1 2 331.460 3.189 20 30 EGEDLO C#CCCCCCC(=O)N1CCC(C)(Nc2cc[nH+]c(C)n2)CC1 ZINC001112358389 1368789370 /nfs/dbraw/zinc/78/93/70/1368789370.db2.gz VXSSCTHAUSNKPZ-UHFFFAOYSA-N 1 2 328.460 3.162 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001112398514 1368823445 /nfs/dbraw/zinc/82/34/45/1368823445.db2.gz RSPRUQDHLNEDOF-ZBFHGGJFSA-N 1 2 330.476 3.206 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C[C@@H]1C ZINC001112430066 1368844345 /nfs/dbraw/zinc/84/43/45/1368844345.db2.gz ZVKDKZLQZWXTRQ-GOEBONIOSA-N 1 2 344.503 3.452 20 30 EGEDLO CC[C@@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001197586177 1368845708 /nfs/dbraw/zinc/84/57/08/1368845708.db2.gz CUCSLORLFXXIEY-CABCVRRESA-N 1 2 333.501 3.336 20 30 EGEDLO CC[C@@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001197586177 1368845714 /nfs/dbraw/zinc/84/57/14/1368845714.db2.gz CUCSLORLFXXIEY-CABCVRRESA-N 1 2 333.501 3.336 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H](C)C1 ZINC001112500515 1368898838 /nfs/dbraw/zinc/89/88/38/1368898838.db2.gz XBLDPMQZFIMZBN-GUYCJALGSA-N 1 2 344.503 3.478 20 30 EGEDLO C=CCCC(=O)N1CCC([C@H]2CCCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001112810954 1369022510 /nfs/dbraw/zinc/02/25/10/1369022510.db2.gz CANZEFGIWZSIKU-SFHVURJKSA-N 1 2 342.487 3.206 20 30 EGEDLO C=C[C@H](C(=O)NC1CC(CNc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001112842232 1369040770 /nfs/dbraw/zinc/04/07/70/1369040770.db2.gz CYNNTDKAYZHOSH-VJFUWPCTSA-N 1 2 336.439 3.062 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[NH+](Cc2ccc(C)nc2C)CC1 ZINC001112880969 1369065108 /nfs/dbraw/zinc/06/51/08/1369065108.db2.gz VLSAZXVNXKIDLC-UHFFFAOYSA-N 1 2 327.472 3.111 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC001112896474 1369078073 /nfs/dbraw/zinc/07/80/73/1369078073.db2.gz ZBFOCWVJLLWDHC-UHFFFAOYSA-N 1 2 342.483 3.474 20 30 EGEDLO C=C(C)CCC(=O)N1CC[NH+](CCCc2c(F)cccc2F)CC1 ZINC001112902507 1369081700 /nfs/dbraw/zinc/08/17/00/1369081700.db2.gz PQLVHGGXFDOJQY-UHFFFAOYSA-N 1 2 336.426 3.398 20 30 EGEDLO C#CCC1(C(=O)N2CC[NH+](CCc3ccccc3Cl)CC2)CCC1 ZINC001112950787 1369105431 /nfs/dbraw/zinc/10/54/31/1369105431.db2.gz FJKITROGAKNHID-UHFFFAOYSA-N 1 2 344.886 3.220 20 30 EGEDLO C#CCC1(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)CCC1 ZINC001112951721 1369106317 /nfs/dbraw/zinc/10/63/17/1369106317.db2.gz XEBDFVOZIBEBKK-MRXNPFEDSA-N 1 2 328.431 3.225 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)CC(C)(F)F)c1ccccc1OC ZINC001198885770 1369139929 /nfs/dbraw/zinc/13/99/29/1369139929.db2.gz RVGBRZQARFGMFJ-ZDUSSCGKSA-N 1 2 346.805 3.240 20 30 EGEDLO CC(C)c1cc(N[C@@H](C)[C@@H](C)NC(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001113036143 1369155971 /nfs/dbraw/zinc/15/59/71/1369155971.db2.gz LAUUEPKIVQEZFQ-LSDHHAIUSA-N 1 2 342.487 3.442 20 30 EGEDLO C#CCC1(C(=O)N[C@H](C)[C@H](C)Nc2cc[nH+]c(C)n2)CCCCC1 ZINC001113079739 1369186492 /nfs/dbraw/zinc/18/64/92/1369186492.db2.gz PBDHJVBIJYOJRT-LSDHHAIUSA-N 1 2 328.460 3.064 20 30 EGEDLO C#CCCCCCC(=O)N1CC[NH+](CCO[C@H]2CCCC[C@H]2C)CC1 ZINC001113198085 1369257944 /nfs/dbraw/zinc/25/79/44/1369257944.db2.gz SKMTWBOIGGRLOP-UXHICEINSA-N 1 2 348.531 3.310 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[NH+](CCOc2cc(C)cc(C)c2)CC1 ZINC001113239807 1369287059 /nfs/dbraw/zinc/28/70/59/1369287059.db2.gz SBXDSVCYJMNJIZ-LJQANCHMSA-N 1 2 344.499 3.429 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[NH+](Cc2ccc(C)c(OC)c2)CC1 ZINC001113247045 1369289912 /nfs/dbraw/zinc/28/99/12/1369289912.db2.gz YICIUELAENDPIX-QGZVFWFLSA-N 1 2 330.472 3.250 20 30 EGEDLO C=CCCCC(=O)N1CC[NH+](Cc2cccc(OC(C)C)c2)CC1 ZINC001113279964 1369313192 /nfs/dbraw/zinc/31/31/92/1369313192.db2.gz PPSVMPPXEBPTSF-UHFFFAOYSA-N 1 2 330.472 3.474 20 30 EGEDLO C#CCCCCC(=O)N(C)C1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC001113383154 1369383933 /nfs/dbraw/zinc/38/39/33/1369383933.db2.gz LTURHOGDYBCRKF-UHFFFAOYSA-N 1 2 328.460 3.160 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@@H](C)N(C)c1nc(C)[nH+]c(C)c1C ZINC001113726938 1369589550 /nfs/dbraw/zinc/58/95/50/1369589550.db2.gz WKURQJLYGRJOPD-CYBMUJFWSA-N 1 2 330.476 3.111 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CCCC1 ZINC001113744330 1369598660 /nfs/dbraw/zinc/59/86/60/1369598660.db2.gz AQJHFJMKNRJHNC-UHFFFAOYSA-N 1 2 342.483 3.346 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001113851664 1369633394 /nfs/dbraw/zinc/63/33/94/1369633394.db2.gz OMLQKYWKKKBRQP-DNVCBOLYSA-N 1 2 332.492 3.452 20 30 EGEDLO Cc1nc(N[C@H](CCN(C)C(=O)C#CC(C)(C)C)C(C)C)cc[nH+]1 ZINC001114096989 1369733176 /nfs/dbraw/zinc/73/31/76/1369733176.db2.gz RZZDHKARNQQMKA-MRXNPFEDSA-N 1 2 330.476 3.120 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC001114328178 1369888740 /nfs/dbraw/zinc/88/87/40/1369888740.db2.gz JTBXUSPZRBVHKT-QLPKVWCKSA-N 1 2 345.512 3.169 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC001114328178 1369888742 /nfs/dbraw/zinc/88/87/42/1369888742.db2.gz JTBXUSPZRBVHKT-QLPKVWCKSA-N 1 2 345.512 3.169 20 30 EGEDLO CC[C@H](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001115008313 1370208739 /nfs/dbraw/zinc/20/87/39/1370208739.db2.gz YQIPDGALSKZCOS-RDOJZNBBSA-N 1 2 343.446 3.070 20 30 EGEDLO CC[C@H](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001115008313 1370208742 /nfs/dbraw/zinc/20/87/42/1370208742.db2.gz YQIPDGALSKZCOS-RDOJZNBBSA-N 1 2 343.446 3.070 20 30 EGEDLO COc1cc(C[N@@H+]2CCC[C@H](C#N)CC2)cc(Br)c1O ZINC001204105760 1370379392 /nfs/dbraw/zinc/37/93/92/1370379392.db2.gz YIQMRAJKXWOXLE-NSHDSACASA-N 1 2 339.233 3.289 20 30 EGEDLO COc1cc(C[N@H+]2CCC[C@H](C#N)CC2)cc(Br)c1O ZINC001204105760 1370379396 /nfs/dbraw/zinc/37/93/96/1370379396.db2.gz YIQMRAJKXWOXLE-NSHDSACASA-N 1 2 339.233 3.289 20 30 EGEDLO C=CCC(CC=C)C(=O)NCC[C@@H](Nc1cc[nH+]c(C)n1)C(C)C ZINC001115337626 1370393451 /nfs/dbraw/zinc/39/34/51/1370393451.db2.gz DLRSYDHDTFFZRM-QGZVFWFLSA-N 1 2 330.476 3.496 20 30 EGEDLO C=C[C@H](CC(=O)N(C)C[C@H](C)Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC001115744221 1370724673 /nfs/dbraw/zinc/72/46/73/1370724673.db2.gz ANIWCWDWDKTWSZ-DOTOQJQBSA-N 1 2 338.455 3.404 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C(C)(C)C)o2)C[C@H]1C ZINC001207200584 1371327814 /nfs/dbraw/zinc/32/78/14/1371327814.db2.gz MNKDOPLYPQKNQL-HUUCEWRRSA-N 1 2 333.476 3.265 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2ncc(C(C)(C)C)o2)C[C@H]1C ZINC001207200584 1371327818 /nfs/dbraw/zinc/32/78/18/1371327818.db2.gz MNKDOPLYPQKNQL-HUUCEWRRSA-N 1 2 333.476 3.265 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2c(F)cccc2F)C[C@H]1C ZINC001208315031 1371712448 /nfs/dbraw/zinc/71/24/48/1371712448.db2.gz GUBHVXUIGUGQQQ-DNVCBOLYSA-N 1 2 348.437 3.485 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2c(F)cccc2F)C[C@H]1C ZINC001208315031 1371712451 /nfs/dbraw/zinc/71/24/51/1371712451.db2.gz GUBHVXUIGUGQQQ-DNVCBOLYSA-N 1 2 348.437 3.485 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001208315125 1371712944 /nfs/dbraw/zinc/71/29/44/1371712944.db2.gz LLWCCRVLDDCASL-CRAIPNDOSA-N 1 2 343.471 3.072 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001208315125 1371712948 /nfs/dbraw/zinc/71/29/48/1371712948.db2.gz LLWCCRVLDDCASL-CRAIPNDOSA-N 1 2 343.471 3.072 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001208391203 1371749924 /nfs/dbraw/zinc/74/99/24/1371749924.db2.gz LLOYNTZVVOBINM-CKEIUWERSA-N 1 2 331.460 3.091 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001208391203 1371749930 /nfs/dbraw/zinc/74/99/30/1371749930.db2.gz LLOYNTZVVOBINM-CKEIUWERSA-N 1 2 331.460 3.091 20 30 EGEDLO CC(C)[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001209089547 1371994637 /nfs/dbraw/zinc/99/46/37/1371994637.db2.gz NMSAXSAGEMXQIW-JTDSTZFVSA-N 1 2 346.902 3.420 20 30 EGEDLO CC(C)[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001209089547 1371994640 /nfs/dbraw/zinc/99/46/40/1371994640.db2.gz NMSAXSAGEMXQIW-JTDSTZFVSA-N 1 2 346.902 3.420 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC001209344431 1372072386 /nfs/dbraw/zinc/07/23/86/1372072386.db2.gz DUBNHERBBZFTJO-GJZGRUSLSA-N 1 2 348.491 3.365 20 30 EGEDLO N#Cc1cncc(Nc2cc[nH+]c3ccc(Br)cc23)c1 ZINC001210083781 1372268751 /nfs/dbraw/zinc/26/87/51/1372268751.db2.gz WHVKBCMHCQELAI-UHFFFAOYSA-N 1 2 325.169 3.429 20 30 EGEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N(CC)CCSC ZINC001122625289 1372286543 /nfs/dbraw/zinc/28/65/43/1372286543.db2.gz DNTUAMYABJZDIT-UHFFFAOYSA-N 1 2 337.537 3.029 20 30 EGEDLO C=CCCCC(=O)N1C[C@@H]2CCC[C@H](Nc3cc[nH+]c(C)n3)[C@H]2C1 ZINC001123512927 1372493117 /nfs/dbraw/zinc/49/31/17/1372493117.db2.gz HVCMWBDRSJFSQV-ULQDDVLXSA-N 1 2 328.460 3.180 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3nc(C)c(C)o3)C[C@H]2C)CCCC1 ZINC001211492430 1372567382 /nfs/dbraw/zinc/56/73/82/1372567382.db2.gz BCWIKXHHQKIOHK-RHSMWYFYSA-N 1 2 345.487 3.364 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3nc(C)c(C)o3)C[C@H]2C)CCCC1 ZINC001211492430 1372567388 /nfs/dbraw/zinc/56/73/88/1372567388.db2.gz BCWIKXHHQKIOHK-RHSMWYFYSA-N 1 2 345.487 3.364 20 30 EGEDLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccccc1OCC#N ZINC001212599080 1372735638 /nfs/dbraw/zinc/73/56/38/1372735638.db2.gz BWHFGKONDUSHIZ-UHFFFAOYSA-N 1 2 349.394 3.484 20 30 EGEDLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc(N)c(C#N)c1 ZINC001213434254 1372906098 /nfs/dbraw/zinc/90/60/98/1372906098.db2.gz ZTSVYWKYWRMICV-UHFFFAOYSA-N 1 2 334.383 3.036 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@H](CNc1cc[nH+]c(C)n1)C(C)(C)C ZINC001126151018 1372943622 /nfs/dbraw/zinc/94/36/22/1372943622.db2.gz AYDQEVADTRNXNP-MRXNPFEDSA-N 1 2 341.459 3.029 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](Cc3coc(C4CC4)n3)C[C@H]21 ZINC001188063991 1388233326 /nfs/dbraw/zinc/23/33/26/1388233326.db2.gz VIFFMXYICCMCPH-DOTOQJQBSA-N 1 2 343.471 3.187 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+](Cc3coc(C4CC4)n3)C[C@H]21 ZINC001188063991 1388233330 /nfs/dbraw/zinc/23/33/30/1388233330.db2.gz VIFFMXYICCMCPH-DOTOQJQBSA-N 1 2 343.471 3.187 20 30 EGEDLO CCN(C(=O)C#CC(C)(C)C)[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001126812818 1373032469 /nfs/dbraw/zinc/03/24/69/1373032469.db2.gz RTGITRAUCDTCNK-QGZVFWFLSA-N 1 2 342.487 3.042 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC1(C2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC001127141568 1373097038 /nfs/dbraw/zinc/09/70/38/1373097038.db2.gz XIHZIPPBAALANB-INIZCTEOSA-N 1 2 342.487 3.253 20 30 EGEDLO CCCCCCC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C ZINC001214672552 1373100200 /nfs/dbraw/zinc/10/02/00/1373100200.db2.gz NBQVVMLFOJEFNG-UPJWGTAASA-N 1 2 326.378 3.294 20 30 EGEDLO CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C ZINC001214672552 1373100202 /nfs/dbraw/zinc/10/02/02/1373100202.db2.gz NBQVVMLFOJEFNG-UPJWGTAASA-N 1 2 326.378 3.294 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001127756275 1373174712 /nfs/dbraw/zinc/17/47/12/1373174712.db2.gz HLYBGPNIZDMKLX-UONOGXRCSA-N 1 2 342.487 3.113 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)C[C@H](C)CC)c2C1 ZINC001128332218 1373253138 /nfs/dbraw/zinc/25/31/38/1373253138.db2.gz OIAANIVGYXGUMM-QGZVFWFLSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)C[C@H](C)CC)c2C1 ZINC001128332218 1373253141 /nfs/dbraw/zinc/25/31/41/1373253141.db2.gz OIAANIVGYXGUMM-QGZVFWFLSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CC(C)(C)C(=O)NCc1cnn2c1C[N@H+](CC1=CCCCC1)CC2 ZINC001128447987 1373269439 /nfs/dbraw/zinc/26/94/39/1373269439.db2.gz IUTLLWQKPKLEKP-UHFFFAOYSA-N 1 2 342.487 3.028 20 30 EGEDLO C=CC(C)(C)C(=O)NCc1cnn2c1C[N@@H+](CC1=CCCCC1)CC2 ZINC001128447987 1373269440 /nfs/dbraw/zinc/26/94/40/1373269440.db2.gz IUTLLWQKPKLEKP-UHFFFAOYSA-N 1 2 342.487 3.028 20 30 EGEDLO Cc1cc(O)c[nH+]c1Nc1ccc(OC2CCOCC2)c(C#N)c1 ZINC001216662938 1373328186 /nfs/dbraw/zinc/32/81/86/1373328186.db2.gz UZZZEPQWLCTZRN-UHFFFAOYSA-N 1 2 325.368 3.269 20 30 EGEDLO C=CCn1cccc1C(=O)NCC[NH2+][C@H](C)c1ncc(C(C)(C)C)o1 ZINC001129509491 1373392498 /nfs/dbraw/zinc/39/24/98/1373392498.db2.gz WPAAMCSBJLGYQX-CQSZACIVSA-N 1 2 344.459 3.040 20 30 EGEDLO C=C(C)CC[N@@H+]1Cc2cnn(C3CCN(C(=O)CCCF)CC3)c2C1 ZINC001130167031 1373467756 /nfs/dbraw/zinc/46/77/56/1373467756.db2.gz VRIKBPPVSKNKLC-UHFFFAOYSA-N 1 2 348.466 3.078 20 30 EGEDLO C=C(C)CC[N@H+]1Cc2cnn(C3CCN(C(=O)CCCF)CC3)c2C1 ZINC001130167031 1373467760 /nfs/dbraw/zinc/46/77/60/1373467760.db2.gz VRIKBPPVSKNKLC-UHFFFAOYSA-N 1 2 348.466 3.078 20 30 EGEDLO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)[C@@H]1CSC[NH2+]1 ZINC001219483285 1373711879 /nfs/dbraw/zinc/71/18/79/1373711879.db2.gz SSVJNUPSVAYSRF-AWEZNQCLSA-N 1 2 338.936 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)C1(CCC)CC1)C[C@@H](C)O2 ZINC001131681911 1373759680 /nfs/dbraw/zinc/75/96/80/1373759680.db2.gz KCHCNFYCPRXXDE-QAPCUYQASA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C1(CCC)CC1)C[C@@H](C)O2 ZINC001131681911 1373759683 /nfs/dbraw/zinc/75/96/83/1373759683.db2.gz KCHCNFYCPRXXDE-QAPCUYQASA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)C1(CCC)CC1)C[C@H](C)O2 ZINC001131681912 1373760255 /nfs/dbraw/zinc/76/02/55/1373760255.db2.gz KCHCNFYCPRXXDE-YJBOKZPZSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C1(CCC)CC1)C[C@H](C)O2 ZINC001131681912 1373760259 /nfs/dbraw/zinc/76/02/59/1373760259.db2.gz KCHCNFYCPRXXDE-YJBOKZPZSA-N 1 2 340.895 3.011 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001132001711 1375092208 /nfs/dbraw/zinc/09/22/08/1375092208.db2.gz CCWUTAKNAVTJKH-GDBMZVCRSA-N 1 2 348.874 3.318 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC001132001711 1375092213 /nfs/dbraw/zinc/09/22/13/1375092213.db2.gz CCWUTAKNAVTJKH-GDBMZVCRSA-N 1 2 348.874 3.318 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ncoc2C(C)C)C1 ZINC001132003359 1375093388 /nfs/dbraw/zinc/09/33/88/1375093388.db2.gz UIJDRAHHAWZJQT-CVEARBPZSA-N 1 2 331.460 3.071 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001132003359 1375093392 /nfs/dbraw/zinc/09/33/92/1375093392.db2.gz UIJDRAHHAWZJQT-CVEARBPZSA-N 1 2 331.460 3.071 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2nc(C)oc2C)C1 ZINC001132060166 1375125503 /nfs/dbraw/zinc/12/55/03/1375125503.db2.gz ARDDDONPDGIQOM-BBRMVZONSA-N 1 2 333.476 3.363 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2nc(C)oc2C)C1 ZINC001132060166 1375125506 /nfs/dbraw/zinc/12/55/06/1375125506.db2.gz ARDDDONPDGIQOM-BBRMVZONSA-N 1 2 333.476 3.363 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ncc(C)o2)C1 ZINC001132078965 1375134944 /nfs/dbraw/zinc/13/49/44/1375134944.db2.gz QNUXPGWPHBSKIC-BXUZGUMPSA-N 1 2 339.867 3.231 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ncc(C)o2)C1 ZINC001132078965 1375134945 /nfs/dbraw/zinc/13/49/45/1375134945.db2.gz QNUXPGWPHBSKIC-BXUZGUMPSA-N 1 2 339.867 3.231 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2nccs2)C1 ZINC001132079051 1375136266 /nfs/dbraw/zinc/13/62/66/1375136266.db2.gz SEXWEKZOPALKRF-WCQYABFASA-N 1 2 341.908 3.391 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2nccs2)C1 ZINC001132079051 1375136269 /nfs/dbraw/zinc/13/62/69/1375136269.db2.gz SEXWEKZOPALKRF-WCQYABFASA-N 1 2 341.908 3.391 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2cccc([N+](=O)[O-])c2F)C1 ZINC001225796914 1375156741 /nfs/dbraw/zinc/15/67/41/1375156741.db2.gz NLCGPSJQHZUSHV-HNNXBMFYSA-N 1 2 341.342 3.259 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2cccc([N+](=O)[O-])c2F)C1 ZINC001225796914 1375156743 /nfs/dbraw/zinc/15/67/43/1375156743.db2.gz NLCGPSJQHZUSHV-HNNXBMFYSA-N 1 2 341.342 3.259 20 30 EGEDLO C[C@H](Oc1cccc(/C=N/O)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226114872 1375205558 /nfs/dbraw/zinc/20/55/58/1375205558.db2.gz SKQYHFIOLPAMPI-WYCILAGTSA-N 1 2 340.423 3.163 20 30 EGEDLO C[C@H](Oc1cccc(/C=N/O)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226114872 1375205560 /nfs/dbraw/zinc/20/55/60/1375205560.db2.gz SKQYHFIOLPAMPI-WYCILAGTSA-N 1 2 340.423 3.163 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc(C)on2)C1 ZINC001132227973 1375222841 /nfs/dbraw/zinc/22/28/41/1375222841.db2.gz JVJXHQSTCLWSPI-RDJZCZTQSA-N 1 2 331.460 3.036 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc(C)on2)C1 ZINC001132227973 1375222845 /nfs/dbraw/zinc/22/28/45/1375222845.db2.gz JVJXHQSTCLWSPI-RDJZCZTQSA-N 1 2 331.460 3.036 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(Cl)n2)C1 ZINC001132234949 1375229612 /nfs/dbraw/zinc/22/96/12/1375229612.db2.gz HMUYQWQWWOUHGJ-NVXWUHKLSA-N 1 2 347.890 3.398 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001132234949 1375229615 /nfs/dbraw/zinc/22/96/15/1375229615.db2.gz HMUYQWQWWOUHGJ-NVXWUHKLSA-N 1 2 347.890 3.398 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)oc2C)C1 ZINC001132241106 1375236496 /nfs/dbraw/zinc/23/64/96/1375236496.db2.gz QREAYTUGARUSCI-QAPCUYQASA-N 1 2 345.487 3.344 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2nc(C)oc2C)C1 ZINC001132241106 1375236497 /nfs/dbraw/zinc/23/64/97/1375236497.db2.gz QREAYTUGARUSCI-QAPCUYQASA-N 1 2 345.487 3.344 20 30 EGEDLO C=CCCC(=O)NC1CC[NH+](Cc2csc(-c3ccoc3)n2)CC1 ZINC001226518840 1375273864 /nfs/dbraw/zinc/27/38/64/1375273864.db2.gz MZKLMLZJUFPBCA-UHFFFAOYSA-N 1 2 345.468 3.450 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2ccc3c(c2)CC(=O)CC3)C1 ZINC001226935229 1375360809 /nfs/dbraw/zinc/36/08/09/1375360809.db2.gz TWXVOVIKFXORCS-QFIPXVFZSA-N 1 2 346.430 3.269 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2ccc3c(c2)CC(=O)CC3)C1 ZINC001226935229 1375360814 /nfs/dbraw/zinc/36/08/14/1375360814.db2.gz TWXVOVIKFXORCS-QFIPXVFZSA-N 1 2 346.430 3.269 20 30 EGEDLO C=C(C)CCC(=O)NC1CC[NH+](Cc2cc(-c3ccco3)on2)CC1 ZINC001227588902 1375449020 /nfs/dbraw/zinc/44/90/20/1375449020.db2.gz YSKVRVQDCOHQJJ-UHFFFAOYSA-N 1 2 343.427 3.372 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC(F)(F)C(F)(F)F)CC[C@@H]1C ZINC001132542106 1375449484 /nfs/dbraw/zinc/44/94/84/1375449484.db2.gz NXPFIVWOIJUARC-UWVGGRQHSA-N 1 2 348.743 3.296 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC(F)(F)C(F)(F)F)CC[C@@H]1C ZINC001132542106 1375449482 /nfs/dbraw/zinc/44/94/82/1375449482.db2.gz NXPFIVWOIJUARC-UWVGGRQHSA-N 1 2 348.743 3.296 20 30 EGEDLO N#Cc1c(Cl)cccc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001227788572 1375474372 /nfs/dbraw/zinc/47/43/72/1375474372.db2.gz BPCKOYLCKVBEDS-INIZCTEOSA-N 1 2 342.826 3.491 20 30 EGEDLO N#Cc1c(Cl)cccc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001227788572 1375474376 /nfs/dbraw/zinc/47/43/76/1375474376.db2.gz BPCKOYLCKVBEDS-INIZCTEOSA-N 1 2 342.826 3.491 20 30 EGEDLO C=CC(C)(C)C(=O)NC1CC[NH+](Cc2ccn(C3CCCC3)n2)CC1 ZINC001228622139 1375619930 /nfs/dbraw/zinc/61/99/30/1375619930.db2.gz OBJCUSUBRPWEJO-UHFFFAOYSA-N 1 2 344.503 3.291 20 30 EGEDLO C=CC(C)(C)C(=O)NC1CC[NH+]([C@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC001228631248 1375621631 /nfs/dbraw/zinc/62/16/31/1375621631.db2.gz ITPQUHIKNVTNRV-CYBMUJFWSA-N 1 2 348.491 3.221 20 30 EGEDLO C=CC(C)(C)C(=O)NC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC001228631429 1375621729 /nfs/dbraw/zinc/62/17/29/1375621729.db2.gz LMEZIIZJOYLDNI-UHFFFAOYSA-N 1 2 344.886 3.484 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001228748960 1375662468 /nfs/dbraw/zinc/66/24/68/1375662468.db2.gz OTMQKBZEIVXYSY-ZIAGYGMSSA-N 1 2 331.460 3.091 20 30 EGEDLO C=CCCCC(=O)NC1CC[NH+]([C@H](C)c2nnc(CC(C)C)o2)CC1 ZINC001228912679 1375712212 /nfs/dbraw/zinc/71/22/12/1375712212.db2.gz QSAMATMJUJMACP-OAHLLOKOSA-N 1 2 348.491 3.266 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC1CC[NH+]([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC001229016963 1375739344 /nfs/dbraw/zinc/73/93/44/1375739344.db2.gz OOYYBCKPUVTDHG-DJJJIMSYSA-N 1 2 346.475 3.191 20 30 EGEDLO COc1cc2c(Cl)c(C#N)cnc2cc1OC1C[NH+](C(C)C)C1 ZINC001229107401 1375765179 /nfs/dbraw/zinc/76/51/79/1375765179.db2.gz ZORKLGNJUVRYDA-UHFFFAOYSA-N 1 2 331.803 3.240 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H](C)CC(C)C)CC1 ZINC001229769363 1375889427 /nfs/dbraw/zinc/88/94/27/1375889427.db2.gz JDILBRXVZGWBBJ-GFCCVEGCSA-N 1 2 331.298 3.158 20 30 EGEDLO C=CC[C@@H](C)Oc1nc(=O)[nH]c2c1CC[N@H+](Cc1ccccc1)C2 ZINC001230188169 1375958337 /nfs/dbraw/zinc/95/83/37/1375958337.db2.gz HHQYYGWYPAOZCS-CQSZACIVSA-N 1 2 325.412 3.084 20 30 EGEDLO C=CC[C@@H](C)Oc1nc(=O)[nH]c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001230188169 1375958344 /nfs/dbraw/zinc/95/83/44/1375958344.db2.gz HHQYYGWYPAOZCS-CQSZACIVSA-N 1 2 325.412 3.084 20 30 EGEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCCc2ccccc2)CC1 ZINC001230591906 1376090259 /nfs/dbraw/zinc/09/02/59/1376090259.db2.gz MHLKCDLLXBNYCA-HXUWFJFHSA-N 1 2 339.483 3.236 20 30 EGEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCCc2ccccc2)CC1 ZINC001230591906 1376090263 /nfs/dbraw/zinc/09/02/63/1376090263.db2.gz MHLKCDLLXBNYCA-HXUWFJFHSA-N 1 2 339.483 3.236 20 30 EGEDLO C=C(Cl)C[N@H+](CCCNC(=O)C1=CCCC1)Cc1cccnc1 ZINC001230731705 1376137208 /nfs/dbraw/zinc/13/72/08/1376137208.db2.gz ITOIKWHPTGUASC-UHFFFAOYSA-N 1 2 333.863 3.253 20 30 EGEDLO C=C(Cl)C[N@@H+](CCCNC(=O)C1=CCCC1)Cc1cccnc1 ZINC001230731705 1376137211 /nfs/dbraw/zinc/13/72/11/1376137211.db2.gz ITOIKWHPTGUASC-UHFFFAOYSA-N 1 2 333.863 3.253 20 30 EGEDLO C=C(Cl)C[N@@H+](CCCNC(=O)C#CC(C)(C)C)Cc1cccnc1 ZINC001230756816 1376140188 /nfs/dbraw/zinc/14/01/88/1376140188.db2.gz MDFBJZNTRFPWHA-UHFFFAOYSA-N 1 2 347.890 3.192 20 30 EGEDLO C=C(Cl)C[N@H+](CCCNC(=O)C#CC(C)(C)C)Cc1cccnc1 ZINC001230756816 1376140191 /nfs/dbraw/zinc/14/01/91/1376140191.db2.gz MDFBJZNTRFPWHA-UHFFFAOYSA-N 1 2 347.890 3.192 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001231911464 1376347200 /nfs/dbraw/zinc/34/72/00/1376347200.db2.gz MAHZQJJZBAHQRR-MAUKXSAKSA-N 1 2 337.847 3.372 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001231911464 1376347204 /nfs/dbraw/zinc/34/72/04/1376347204.db2.gz MAHZQJJZBAHQRR-MAUKXSAKSA-N 1 2 337.847 3.372 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232111495 1376400887 /nfs/dbraw/zinc/40/08/87/1376400887.db2.gz CHHIFXLELLLZDK-AWEZNQCLSA-N 1 2 335.835 3.311 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232111495 1376400892 /nfs/dbraw/zinc/40/08/92/1376400892.db2.gz CHHIFXLELLLZDK-AWEZNQCLSA-N 1 2 335.835 3.311 20 30 EGEDLO N#Cc1ccc(O)c(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC001232673665 1376498164 /nfs/dbraw/zinc/49/81/64/1376498164.db2.gz KQMHJNPZDCYWDH-UHFFFAOYSA-N 1 2 327.815 3.239 20 30 EGEDLO CC[N@H+](Cc1cc(C#N)ccc1O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001232678483 1376499965 /nfs/dbraw/zinc/49/99/65/1376499965.db2.gz HCISTRVZUPWFKK-HXUWFJFHSA-N 1 2 335.451 3.360 20 30 EGEDLO CC[N@@H+](Cc1cc(C#N)ccc1O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001232678483 1376499966 /nfs/dbraw/zinc/49/99/66/1376499966.db2.gz HCISTRVZUPWFKK-HXUWFJFHSA-N 1 2 335.451 3.360 20 30 EGEDLO CC(C)(C)OC(=O)NC1(C)CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232679845 1376500067 /nfs/dbraw/zinc/50/00/67/1376500067.db2.gz TUHQCRUZEMSQNP-UHFFFAOYSA-N 1 2 345.443 3.143 20 30 EGEDLO N#Cc1ccc(O)c(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)c1 ZINC001232680070 1376501008 /nfs/dbraw/zinc/50/10/08/1376501008.db2.gz XMYUNBYGDHYPDA-UHFFFAOYSA-N 1 2 330.391 3.008 20 30 EGEDLO N#Cc1ccc(O)c(C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)c1 ZINC001232680070 1376501010 /nfs/dbraw/zinc/50/10/10/1376501010.db2.gz XMYUNBYGDHYPDA-UHFFFAOYSA-N 1 2 330.391 3.008 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCn3cnc(Cn4cccc4)c3C2)s1 ZINC001232843604 1376523306 /nfs/dbraw/zinc/52/33/06/1376523306.db2.gz RZXCYXORAMMJIA-UHFFFAOYSA-N 1 2 337.452 3.072 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCn3cnc(Cn4cccc4)c3C2)s1 ZINC001232843604 1376523311 /nfs/dbraw/zinc/52/33/11/1376523311.db2.gz RZXCYXORAMMJIA-UHFFFAOYSA-N 1 2 337.452 3.072 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nnsc1Cl ZINC001134453873 1376546601 /nfs/dbraw/zinc/54/66/01/1376546601.db2.gz NPCJTYIQDVVHKR-QWRGUYRKSA-N 1 2 344.912 3.167 20 30 EGEDLO CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(C#N)cc1O ZINC001233386404 1376634857 /nfs/dbraw/zinc/63/48/57/1376634857.db2.gz SCBSNMOQZHTSKT-MRXNPFEDSA-N 1 2 345.443 3.095 20 30 EGEDLO CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(C#N)cc1O ZINC001233386404 1376634862 /nfs/dbraw/zinc/63/48/62/1376634862.db2.gz SCBSNMOQZHTSKT-MRXNPFEDSA-N 1 2 345.443 3.095 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001233967072 1376745536 /nfs/dbraw/zinc/74/55/36/1376745536.db2.gz URLTWOUBOLAOBT-IBGZPJMESA-N 1 2 342.870 3.028 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001233967072 1376745541 /nfs/dbraw/zinc/74/55/41/1376745541.db2.gz URLTWOUBOLAOBT-IBGZPJMESA-N 1 2 342.870 3.028 20 30 EGEDLO CC/C(C)=C/C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001234132747 1376774356 /nfs/dbraw/zinc/77/43/56/1376774356.db2.gz WLWZKVZILGDEOB-RKCSUWQLSA-N 1 2 329.419 3.086 20 30 EGEDLO CC/C(C)=C/C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001234132747 1376774358 /nfs/dbraw/zinc/77/43/58/1376774358.db2.gz WLWZKVZILGDEOB-RKCSUWQLSA-N 1 2 329.419 3.086 20 30 EGEDLO Cc1cc(C(=O)NCC[N@H+](Cc2ccccc2C#N)C2CC2)c(C)o1 ZINC001266583915 1377337625 /nfs/dbraw/zinc/33/76/25/1377337625.db2.gz OGNBSFQUAOYYQB-UHFFFAOYSA-N 1 2 337.423 3.163 20 30 EGEDLO Cc1cc(C(=O)NCC[N@@H+](Cc2ccccc2C#N)C2CC2)c(C)o1 ZINC001266583915 1377337627 /nfs/dbraw/zinc/33/76/27/1377337627.db2.gz OGNBSFQUAOYYQB-UHFFFAOYSA-N 1 2 337.423 3.163 20 30 EGEDLO CCC1(NC(=O)OC(C)(C)C)C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001137121648 1377482463 /nfs/dbraw/zinc/48/24/63/1377482463.db2.gz XFFXFDLJPQJPMS-UHFFFAOYSA-N 1 2 345.443 3.078 20 30 EGEDLO C#CC[NH+]1CCN(Cc2c(F)c(Cl)ccc2C(F)(F)F)CC1 ZINC001137984202 1377658305 /nfs/dbraw/zinc/65/83/05/1377658305.db2.gz FCFMBPITEWZSQV-UHFFFAOYSA-N 1 2 334.744 3.249 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(OC)c(Cl)c2)C1 ZINC001138473280 1377727759 /nfs/dbraw/zinc/72/77/59/1377727759.db2.gz TUMVYIVQDLJPQO-AWEZNQCLSA-N 1 2 338.835 3.225 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(OC)c(Cl)c2)C1 ZINC001138473280 1377727761 /nfs/dbraw/zinc/72/77/61/1377727761.db2.gz TUMVYIVQDLJPQO-AWEZNQCLSA-N 1 2 338.835 3.225 20 30 EGEDLO CCN(CC)c1ncc(C[N@@H+]2CCc3cc(C#N)ccc3C2)s1 ZINC001138798683 1377786859 /nfs/dbraw/zinc/78/68/59/1377786859.db2.gz VEFWMJPVOZFZKR-UHFFFAOYSA-N 1 2 326.469 3.419 20 30 EGEDLO CCN(CC)c1ncc(C[N@H+]2CCc3cc(C#N)ccc3C2)s1 ZINC001138798683 1377786860 /nfs/dbraw/zinc/78/68/60/1377786860.db2.gz VEFWMJPVOZFZKR-UHFFFAOYSA-N 1 2 326.469 3.419 20 30 EGEDLO CC(C)(C)OC(=O)NC1CC2(C1)C[NH+](Cc1cc(C#N)ccc1F)C2 ZINC001139651967 1377927127 /nfs/dbraw/zinc/92/71/27/1377927127.db2.gz ZHLRNZZKYONSQF-UHFFFAOYSA-N 1 2 345.418 3.186 20 30 EGEDLO Cc1cnc(O[C@H]2CCC[N@H+](Cc3cccc(Cl)c3C#N)C2)nc1 ZINC001139692804 1377936131 /nfs/dbraw/zinc/93/61/31/1377936131.db2.gz JYTSLZMGDQTAQX-HNNXBMFYSA-N 1 2 342.830 3.354 20 30 EGEDLO Cc1cnc(O[C@H]2CCC[N@@H+](Cc3cccc(Cl)c3C#N)C2)nc1 ZINC001139692804 1377936134 /nfs/dbraw/zinc/93/61/34/1377936134.db2.gz JYTSLZMGDQTAQX-HNNXBMFYSA-N 1 2 342.830 3.354 20 30 EGEDLO CN(C(=O)OC(C)(C)C)C1C[NH+](Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139701370 1377937841 /nfs/dbraw/zinc/93/78/41/1377937841.db2.gz GAQIMFBVSFRJRJ-UHFFFAOYSA-N 1 2 340.427 3.091 20 30 EGEDLO C=CCn1cc(C[NH+]2CCC3(CC2)CC(=O)c2ccccc2O3)cn1 ZINC001139770141 1377948158 /nfs/dbraw/zinc/94/81/58/1377948158.db2.gz FAAZWHDUJPVCCI-UHFFFAOYSA-N 1 2 337.423 3.069 20 30 EGEDLO N#Cc1cc(F)cc(C[NH+]2CCN(c3noc4ccccc43)CC2)c1 ZINC001139872445 1377968445 /nfs/dbraw/zinc/96/84/45/1377968445.db2.gz HWZLOKTVAOMDNS-UHFFFAOYSA-N 1 2 336.370 3.161 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cc(F)cc(C#N)c1)CCO2 ZINC001139874521 1377969396 /nfs/dbraw/zinc/96/93/96/1377969396.db2.gz BAWRESQLGYTHGB-AZUAARDMSA-N 1 2 344.430 3.271 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cc(F)cc(C#N)c1)CCO2 ZINC001139874521 1377969398 /nfs/dbraw/zinc/96/93/98/1377969398.db2.gz BAWRESQLGYTHGB-AZUAARDMSA-N 1 2 344.430 3.271 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(Cl)cc1O ZINC001140465787 1378067946 /nfs/dbraw/zinc/06/79/46/1378067946.db2.gz VHISXBHTANWPRU-INIZCTEOSA-N 1 2 347.846 3.081 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001140465787 1378067949 /nfs/dbraw/zinc/06/79/49/1378067949.db2.gz VHISXBHTANWPRU-INIZCTEOSA-N 1 2 347.846 3.081 20 30 EGEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(N2C(=O)Cc3ccccc32)CC1 ZINC001141164891 1378256090 /nfs/dbraw/zinc/25/60/90/1378256090.db2.gz MJVVODWGICQTLF-UHFFFAOYSA-N 1 2 349.409 3.251 20 30 EGEDLO CC(=O)N(C)C1C[NH+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC001141293689 1378292898 /nfs/dbraw/zinc/29/28/98/1378292898.db2.gz GQPXRPVMJUGERX-UHFFFAOYSA-N 1 2 335.407 3.013 20 30 EGEDLO COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Br)cc1C#N ZINC001141816518 1378381185 /nfs/dbraw/zinc/38/11/85/1378381185.db2.gz ABYHTBOUOXCMRS-XYPWUTKMSA-N 1 2 335.245 3.463 20 30 EGEDLO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Br)cc1C#N ZINC001141816518 1378381187 /nfs/dbraw/zinc/38/11/87/1378381187.db2.gz ABYHTBOUOXCMRS-XYPWUTKMSA-N 1 2 335.245 3.463 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C(CC)CC)C[C@H]1C ZINC001281652495 1378448096 /nfs/dbraw/zinc/44/80/96/1378448096.db2.gz ORJCAJMHROGMGV-OCCSQVGLSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C(CC)CC)C[C@H]1C ZINC001281652495 1378448099 /nfs/dbraw/zinc/44/80/99/1378448099.db2.gz ORJCAJMHROGMGV-OCCSQVGLSA-N 1 2 331.298 3.300 20 30 EGEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001143101171 1378539645 /nfs/dbraw/zinc/53/96/45/1378539645.db2.gz MCXVTOLLYFCSMV-UHFFFAOYSA-N 1 2 348.362 3.263 20 30 EGEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCCN(c2ccc(F)cn2)CC1 ZINC001143716060 1378638303 /nfs/dbraw/zinc/63/83/03/1378638303.db2.gz CAQIXEFYPRPWTM-UHFFFAOYSA-N 1 2 344.821 3.458 20 30 EGEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCCN(c2ccc(F)cn2)CC1 ZINC001143716060 1378638306 /nfs/dbraw/zinc/63/83/06/1378638306.db2.gz CAQIXEFYPRPWTM-UHFFFAOYSA-N 1 2 344.821 3.458 20 30 EGEDLO CCc1ncnc2c1CC[N@H+](Cc1c(Cl)cccc1C#N)CC2 ZINC001143725286 1378638930 /nfs/dbraw/zinc/63/89/30/1378638930.db2.gz XTHBKNDTXLZFII-UHFFFAOYSA-N 1 2 326.831 3.165 20 30 EGEDLO CCc1ncnc2c1CC[N@@H+](Cc1c(Cl)cccc1C#N)CC2 ZINC001143725286 1378638932 /nfs/dbraw/zinc/63/89/32/1378638932.db2.gz XTHBKNDTXLZFII-UHFFFAOYSA-N 1 2 326.831 3.165 20 30 EGEDLO CCN(CC)C(=O)NC1CC[NH+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143731890 1378639428 /nfs/dbraw/zinc/63/94/28/1378639428.db2.gz GQJFUAOYLFKKCG-UHFFFAOYSA-N 1 2 348.878 3.227 20 30 EGEDLO C#CCCCCC(=O)N1CC2(C1)CC[N@@H+](C/C(Cl)=C/Cl)C2 ZINC001147374930 1379011313 /nfs/dbraw/zinc/01/13/13/1379011313.db2.gz WIMQKJMBNTYNLE-ZROIWOOFSA-N 1 2 329.271 3.033 20 30 EGEDLO C#CCCCCC(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C/Cl)C2 ZINC001147374930 1379011317 /nfs/dbraw/zinc/01/13/17/1379011317.db2.gz WIMQKJMBNTYNLE-ZROIWOOFSA-N 1 2 329.271 3.033 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C(C)C)o1)C2 ZINC001148129799 1379122636 /nfs/dbraw/zinc/12/26/36/1379122636.db2.gz JQTOFYBJMANQAK-MRXNPFEDSA-N 1 2 345.487 3.435 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C(C)C)o1)C2 ZINC001148129799 1379122637 /nfs/dbraw/zinc/12/26/37/1379122637.db2.gz JQTOFYBJMANQAK-MRXNPFEDSA-N 1 2 345.487 3.435 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)[C@H](C)CC(C)C)C2)C1 ZINC001148497588 1379190855 /nfs/dbraw/zinc/19/08/55/1379190855.db2.gz XUPSKEJURMSCDV-CYBMUJFWSA-N 1 2 343.309 3.112 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)[C@H](C)CC(C)C)C2)C1 ZINC001148497588 1379190858 /nfs/dbraw/zinc/19/08/58/1379190858.db2.gz XUPSKEJURMSCDV-CYBMUJFWSA-N 1 2 343.309 3.112 20 30 EGEDLO CC(C)Oc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1C#N ZINC001148772392 1379265843 /nfs/dbraw/zinc/26/58/43/1379265843.db2.gz GDYTWJWDGIIEDE-UHFFFAOYSA-N 1 2 338.411 3.088 20 30 EGEDLO CC(C)Oc1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1C#N ZINC001148772392 1379265845 /nfs/dbraw/zinc/26/58/45/1379265845.db2.gz GDYTWJWDGIIEDE-UHFFFAOYSA-N 1 2 338.411 3.088 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H](NC(=O)CCC(C)C)[C@H]1C ZINC001284101967 1379472958 /nfs/dbraw/zinc/47/29/58/1379472958.db2.gz LYKOQYKKACOGSM-KGLIPLIRSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)CCC(C)C)[C@H]1C ZINC001284101967 1379472961 /nfs/dbraw/zinc/47/29/61/1379472961.db2.gz LYKOQYKKACOGSM-KGLIPLIRSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C(C)(C)C(C)(C)C)C1 ZINC001150141292 1379501565 /nfs/dbraw/zinc/50/15/65/1379501565.db2.gz ZMQZWXIUUIARAD-CQSZACIVSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C(C)(C)C(C)(C)C)C1 ZINC001150141292 1379501567 /nfs/dbraw/zinc/50/15/67/1379501567.db2.gz ZMQZWXIUUIARAD-CQSZACIVSA-N 1 2 330.900 3.018 20 30 EGEDLO N#Cc1cc(F)cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC001151647889 1379754333 /nfs/dbraw/zinc/75/43/33/1379754333.db2.gz FCMBTNWNZUXIFP-GOSISDBHSA-N 1 2 341.361 3.440 20 30 EGEDLO N#Cc1cc(F)cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC001151647889 1379754339 /nfs/dbraw/zinc/75/43/39/1379754339.db2.gz FCMBTNWNZUXIFP-GOSISDBHSA-N 1 2 341.361 3.440 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1nccn1C(F)F ZINC001154584311 1380310933 /nfs/dbraw/zinc/31/09/33/1380310933.db2.gz BSTPHIMUSFUNBJ-CYBMUJFWSA-N 1 2 342.434 3.207 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nccn1C(F)F ZINC001154584311 1380310935 /nfs/dbraw/zinc/31/09/35/1380310935.db2.gz BSTPHIMUSFUNBJ-CYBMUJFWSA-N 1 2 342.434 3.207 20 30 EGEDLO C=CCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1nc(-c2ccco2)no1 ZINC001154958007 1380381123 /nfs/dbraw/zinc/38/11/23/1380381123.db2.gz VMPRVDWXITZTOL-CQSZACIVSA-N 1 2 346.431 3.013 20 30 EGEDLO C=CCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc(-c2ccco2)no1 ZINC001154958007 1380381125 /nfs/dbraw/zinc/38/11/25/1380381125.db2.gz VMPRVDWXITZTOL-CQSZACIVSA-N 1 2 346.431 3.013 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C2CC2)o1 ZINC001155066880 1380402449 /nfs/dbraw/zinc/40/24/49/1380402449.db2.gz PQSGXCVAIMXQDU-AUUYWEPGSA-N 1 2 333.476 3.481 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C2CC2)o1 ZINC001155066880 1380402450 /nfs/dbraw/zinc/40/24/50/1380402450.db2.gz PQSGXCVAIMXQDU-AUUYWEPGSA-N 1 2 333.476 3.481 20 30 EGEDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)c1nc2c(cc1C#N)CCC2 ZINC001156788235 1380637517 /nfs/dbraw/zinc/63/75/17/1380637517.db2.gz PSLRVVCEZANSDW-UHFFFAOYSA-N 1 2 329.407 3.264 20 30 EGEDLO Cc1cnc(C[N@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)(C)C)s1 ZINC001157965319 1381085312 /nfs/dbraw/zinc/08/53/12/1381085312.db2.gz YWXUMPODZKAQDO-MRXNPFEDSA-N 1 2 347.528 3.314 20 30 EGEDLO Cc1cnc(C[N@@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)(C)C)s1 ZINC001157965319 1381085318 /nfs/dbraw/zinc/08/53/18/1381085318.db2.gz YWXUMPODZKAQDO-MRXNPFEDSA-N 1 2 347.528 3.314 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cc(C)on1 ZINC001158364048 1381218803 /nfs/dbraw/zinc/21/88/03/1381218803.db2.gz PAKYNCCKFRVIKT-CRAIPNDOSA-N 1 2 333.476 3.398 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cc(C)on1 ZINC001158364048 1381218810 /nfs/dbraw/zinc/21/88/10/1381218810.db2.gz PAKYNCCKFRVIKT-CRAIPNDOSA-N 1 2 333.476 3.398 20 30 EGEDLO Cc1ccc(CC#N)c(N2CCC[C@@H](C(=O)OCc3ccccc3)C2)[nH+]1 ZINC001158418703 1381239985 /nfs/dbraw/zinc/23/99/85/1381239985.db2.gz UCNBMWCGJCBYLH-LJQANCHMSA-N 1 2 349.434 3.416 20 30 EGEDLO N#Cc1cccnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC001158547141 1381292033 /nfs/dbraw/zinc/29/20/33/1381292033.db2.gz SSALOTFNEDVEGU-MRXNPFEDSA-N 1 2 346.356 3.206 20 30 EGEDLO N#Cc1cccnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC001158547141 1381292037 /nfs/dbraw/zinc/29/20/37/1381292037.db2.gz SSALOTFNEDVEGU-MRXNPFEDSA-N 1 2 346.356 3.206 20 30 EGEDLO C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)C(F)C(F)(F)F)CC1 ZINC001160196715 1382030993 /nfs/dbraw/zinc/03/09/93/1382030993.db2.gz XNAIJALZDFQKRB-JSGCOSHPSA-N 1 2 336.373 3.380 20 30 EGEDLO C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)C(F)C(F)(F)F)CC1 ZINC001160196715 1382030994 /nfs/dbraw/zinc/03/09/94/1382030994.db2.gz XNAIJALZDFQKRB-JSGCOSHPSA-N 1 2 336.373 3.380 20 30 EGEDLO C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001160196715 1382030996 /nfs/dbraw/zinc/03/09/96/1382030996.db2.gz XNAIJALZDFQKRB-JSGCOSHPSA-N 1 2 336.373 3.380 20 30 EGEDLO C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001160196715 1382030997 /nfs/dbraw/zinc/03/09/97/1382030997.db2.gz XNAIJALZDFQKRB-JSGCOSHPSA-N 1 2 336.373 3.380 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NCCC1=CC[N@H+](Cc2ccon2)CC1 ZINC001160236813 1382044456 /nfs/dbraw/zinc/04/44/56/1382044456.db2.gz ZUIANHUEJXGTGQ-UHFFFAOYSA-N 1 2 337.851 3.092 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2ccon2)CC1 ZINC001160236813 1382044461 /nfs/dbraw/zinc/04/44/61/1382044461.db2.gz ZUIANHUEJXGTGQ-UHFFFAOYSA-N 1 2 337.851 3.092 20 30 EGEDLO N#Cc1ccc(Nc2ccc(O[C@@H]3CC[NH2+]CC3(F)F)cc2)cn1 ZINC001160348685 1382079684 /nfs/dbraw/zinc/07/96/84/1382079684.db2.gz AWQDGPQBCZXNNT-MRXNPFEDSA-N 1 2 330.338 3.073 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@@H+]([C@@H](C)c2ncccn2)CC1 ZINC001160967052 1382254327 /nfs/dbraw/zinc/25/43/27/1382254327.db2.gz AKGBKMQIWLKTFL-SJORKVTESA-N 1 2 342.487 3.278 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@H+]([C@@H](C)c2ncccn2)CC1 ZINC001160967052 1382254332 /nfs/dbraw/zinc/25/43/32/1382254332.db2.gz AKGBKMQIWLKTFL-SJORKVTESA-N 1 2 342.487 3.278 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@@H+]([C@H](C)c2nnc(C)o2)CC1 ZINC001160991137 1382264414 /nfs/dbraw/zinc/26/44/14/1382264414.db2.gz MBQQMAWUFGTNMO-GDBMZVCRSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@H+]([C@H](C)c2nnc(C)o2)CC1 ZINC001160991137 1382264417 /nfs/dbraw/zinc/26/44/17/1382264417.db2.gz MBQQMAWUFGTNMO-GDBMZVCRSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)C[C@@H]2C[C@H]2C)CC1 ZINC001161113684 1382302805 /nfs/dbraw/zinc/30/28/05/1382302805.db2.gz SWUNNCABHALQDY-DOMZBBRYSA-N 1 2 341.293 3.080 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)C[C@@H]2C[C@H]2C)CC1 ZINC001161113684 1382302811 /nfs/dbraw/zinc/30/28/11/1382302811.db2.gz SWUNNCABHALQDY-DOMZBBRYSA-N 1 2 341.293 3.080 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@H+](Cc2nccc(C)n2)CC1 ZINC001161116821 1382305232 /nfs/dbraw/zinc/30/52/32/1382305232.db2.gz UCDPTYNGBALAMX-HXUWFJFHSA-N 1 2 342.487 3.026 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@@H+](Cc2nccc(C)n2)CC1 ZINC001161116821 1382305234 /nfs/dbraw/zinc/30/52/34/1382305234.db2.gz UCDPTYNGBALAMX-HXUWFJFHSA-N 1 2 342.487 3.026 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@@H+]([C@H](C)c2nnc(C)o2)CC1 ZINC001161121697 1382307954 /nfs/dbraw/zinc/30/79/54/1382307954.db2.gz QLRDWZIERSVNGC-AUUYWEPGSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@H+]([C@H](C)c2nnc(C)o2)CC1 ZINC001161121697 1382307958 /nfs/dbraw/zinc/30/79/58/1382307958.db2.gz QLRDWZIERSVNGC-AUUYWEPGSA-N 1 2 346.475 3.180 20 30 EGEDLO Cc1ccc(C#N)c(NC2CC[NH+](CC(=O)c3ccccc3)CC2)n1 ZINC001161142991 1382317331 /nfs/dbraw/zinc/31/73/31/1382317331.db2.gz IXDAPABGTFSOSF-UHFFFAOYSA-N 1 2 334.423 3.021 20 30 EGEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCN(c4ccc(F)c(F)c4)CC3)c12 ZINC001163838013 1383127733 /nfs/dbraw/zinc/12/77/33/1383127733.db2.gz JNGRPGTTWKOFLM-UHFFFAOYSA-N 1 2 339.349 3.039 20 30 EGEDLO CCOC(=O)n1nc2c(c1Nc1ccc(CS)cc1)C[NH2+]C2(C)C ZINC001170761286 1384381046 /nfs/dbraw/zinc/38/10/46/1384381046.db2.gz PXLXHPJWFMNZKR-UHFFFAOYSA-N 1 2 346.456 3.399 20 30 EGEDLO COc1ncc2cc[nH]c2c1NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001171182395 1384462169 /nfs/dbraw/zinc/46/21/69/1384462169.db2.gz MIOIVCPFYPAPKP-UHFFFAOYSA-N 1 2 332.363 3.467 20 30 EGEDLO CC[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@@H](CC)O1 ZINC001171320616 1384494024 /nfs/dbraw/zinc/49/40/24/1384494024.db2.gz MMYFYGNPRBNTNF-SYJBPTKTSA-N 1 2 349.519 3.195 20 30 EGEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCc2ccc(C)cc2C1 ZINC001172837715 1384862607 /nfs/dbraw/zinc/86/26/07/1384862607.db2.gz MCQCDMDVBQTQHY-NHCUHLMSSA-N 1 2 348.446 3.098 20 30 EGEDLO O=C1C=C2C[N@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC[C@H]2S1 ZINC001172902766 1384875178 /nfs/dbraw/zinc/87/51/78/1384875178.db2.gz CNOROZTXMLSWJT-DOTOQJQBSA-N 1 2 344.436 3.116 20 30 EGEDLO O=C1C=C2C[N@@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC[C@H]2S1 ZINC001172902766 1384875181 /nfs/dbraw/zinc/87/51/81/1384875181.db2.gz CNOROZTXMLSWJT-DOTOQJQBSA-N 1 2 344.436 3.116 20 30 EGEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214711 1384936986 /nfs/dbraw/zinc/93/69/86/1384936986.db2.gz FHDYUABAVAKVSI-PBHICJAKSA-N 1 2 334.416 3.259 20 30 EGEDLO CC1(C#N)CCC([N@@H+]2CCN(c3ccc(Cl)cc3)C(=O)C2)CC1 ZINC001173601174 1384985423 /nfs/dbraw/zinc/98/54/23/1384985423.db2.gz PSWOXKHYADALPB-UHFFFAOYSA-N 1 2 331.847 3.461 20 30 EGEDLO CC1(C#N)CCC([N@H+]2CCN(c3ccc(Cl)cc3)C(=O)C2)CC1 ZINC001173601174 1384985424 /nfs/dbraw/zinc/98/54/24/1384985424.db2.gz PSWOXKHYADALPB-UHFFFAOYSA-N 1 2 331.847 3.461 20 30 EGEDLO N#Cc1c(F)cccc1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001174432098 1385108001 /nfs/dbraw/zinc/10/80/01/1385108001.db2.gz KKJUOXPPKFSZSL-UHFFFAOYSA-N 1 2 341.386 3.152 20 30 EGEDLO C[N@H+](CCNC(=O)C(C)(C)Cc1ccccc1)Cc1ccccc1C#N ZINC001317466013 1385158994 /nfs/dbraw/zinc/15/89/94/1385158994.db2.gz UIOVLFUDDCOZEI-UHFFFAOYSA-N 1 2 349.478 3.375 20 30 EGEDLO C[N@@H+](CCNC(=O)C(C)(C)Cc1ccccc1)Cc1ccccc1C#N ZINC001317466013 1385158996 /nfs/dbraw/zinc/15/89/96/1385158996.db2.gz UIOVLFUDDCOZEI-UHFFFAOYSA-N 1 2 349.478 3.375 20 30 EGEDLO N#Cc1nc2ccc(Nc3ccc(N4CCOCC4)[nH+]c3)cc2s1 ZINC001174975807 1385177448 /nfs/dbraw/zinc/17/74/48/1385177448.db2.gz DJXPZWDGVSVHIU-UHFFFAOYSA-N 1 2 337.408 3.143 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc(C)n([C@H](C)CC)n1)C1CC1 ZINC001317553495 1385315627 /nfs/dbraw/zinc/31/56/27/1385315627.db2.gz MALLEVCLZPQYGH-CYBMUJFWSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc(C)n([C@H](C)CC)n1)C1CC1 ZINC001317553495 1385315632 /nfs/dbraw/zinc/31/56/32/1385315632.db2.gz MALLEVCLZPQYGH-CYBMUJFWSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2coc(C3CC3)n2)C1 ZINC001317767565 1385457196 /nfs/dbraw/zinc/45/71/96/1385457196.db2.gz RFEUTQCYLKLSMJ-CQSZACIVSA-N 1 2 337.851 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2coc(C3CC3)n2)C1 ZINC001317767565 1385457197 /nfs/dbraw/zinc/45/71/97/1385457197.db2.gz RFEUTQCYLKLSMJ-CQSZACIVSA-N 1 2 337.851 3.231 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2coc(C3CC3)n2)C1 ZINC001317767564 1385457256 /nfs/dbraw/zinc/45/72/56/1385457256.db2.gz RFEUTQCYLKLSMJ-AWEZNQCLSA-N 1 2 337.851 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2coc(C3CC3)n2)C1 ZINC001317767564 1385457258 /nfs/dbraw/zinc/45/72/58/1385457258.db2.gz RFEUTQCYLKLSMJ-AWEZNQCLSA-N 1 2 337.851 3.231 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)CCCCC)C[C@H]21 ZINC001177150160 1385834942 /nfs/dbraw/zinc/83/49/42/1385834942.db2.gz IWFRXHDRQNHBLV-QZTJIDSGSA-N 1 2 336.520 3.471 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)CCCCC)C[C@H]21 ZINC001177150160 1385834944 /nfs/dbraw/zinc/83/49/44/1385834944.db2.gz IWFRXHDRQNHBLV-QZTJIDSGSA-N 1 2 336.520 3.471 20 30 EGEDLO N#C[C@H]1CC[C@@H]([NH2+]Cc2noc(-c3cccc(Br)c3)n2)C1 ZINC001321219292 1386845461 /nfs/dbraw/zinc/84/54/61/1386845461.db2.gz AZVAZANGGSZLDF-GXFFZTMASA-N 1 2 347.216 3.281 20 30 EGEDLO C#CC(C)(C)C(=O)NC[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001182639154 1387199525 /nfs/dbraw/zinc/19/95/25/1387199525.db2.gz ZIXYYDHGUHXYBS-CQSZACIVSA-N 1 2 327.255 3.372 20 30 EGEDLO C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCC[N@@H+]2C)n1C ZINC001338577813 1389710308 /nfs/dbraw/zinc/71/03/08/1389710308.db2.gz CENNDXIXZKHLLM-HNNXBMFYSA-N 1 2 331.489 3.226 20 30 EGEDLO C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCC[N@H+]2C)n1C ZINC001338577813 1389710312 /nfs/dbraw/zinc/71/03/12/1389710312.db2.gz CENNDXIXZKHLLM-HNNXBMFYSA-N 1 2 331.489 3.226 20 30 EGEDLO C=CCn1c([C@@H]2C[C@H]2C)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001338930987 1389828607 /nfs/dbraw/zinc/82/86/07/1389828607.db2.gz ORFYUNJPSUVBGG-GDBMZVCRSA-N 1 2 338.459 3.063 20 30 EGEDLO N#Cc1cc(Cl)nc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC001339523520 1390055382 /nfs/dbraw/zinc/05/53/82/1390055382.db2.gz VJYSCRCQDCSVAS-MRXNPFEDSA-N 1 2 342.830 3.092 20 30 EGEDLO CC(=[NH+]NCc1ccc(F)cc1)c1c(F)cccc1N1CCOCC1 ZINC001340495215 1390298471 /nfs/dbraw/zinc/29/84/71/1390298471.db2.gz QUCOJKJZBHNXRM-UHFFFAOYSA-N 1 2 345.393 3.315 20 30 EGEDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Cl)c(F)c1 ZINC001341457747 1390489614 /nfs/dbraw/zinc/48/96/14/1390489614.db2.gz XXOHGKQQXFGVRH-QFYYESIMSA-N 1 2 331.778 3.228 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001342005729 1390560635 /nfs/dbraw/zinc/56/06/35/1390560635.db2.gz UQHFZBIIGBNSHX-VQIMIIECSA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001342005729 1390560636 /nfs/dbraw/zinc/56/06/36/1390560636.db2.gz UQHFZBIIGBNSHX-VQIMIIECSA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1cscn1 ZINC001342327514 1390601466 /nfs/dbraw/zinc/60/14/66/1390601466.db2.gz BYCNOQOZWJHIKG-OAHLLOKOSA-N 1 2 346.504 3.104 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)Cc1cscn1 ZINC001342327514 1390601468 /nfs/dbraw/zinc/60/14/68/1390601468.db2.gz BYCNOQOZWJHIKG-OAHLLOKOSA-N 1 2 346.504 3.104 20 30 EGEDLO N#CCC[C@@H](C#N)C[NH2+]C[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC001335400526 1390679965 /nfs/dbraw/zinc/67/99/65/1390679965.db2.gz QSHRZUXZVMSRAJ-SMDDNHRTSA-N 1 2 345.752 3.123 20 30 EGEDLO C[N@H+](CC(=O)O[C@H](C#N)Cc1ccc(F)cc1F)Cc1ccccc1 ZINC001343349581 1390708814 /nfs/dbraw/zinc/70/88/14/1390708814.db2.gz GTBNRVFLPKFLPV-KRWDZBQOSA-N 1 2 344.361 3.075 20 30 EGEDLO C[N@@H+](CC(=O)O[C@H](C#N)Cc1ccc(F)cc1F)Cc1ccccc1 ZINC001343349581 1390708815 /nfs/dbraw/zinc/70/88/15/1390708815.db2.gz GTBNRVFLPKFLPV-KRWDZBQOSA-N 1 2 344.361 3.075 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH2+]Cc2cccc3ccoc32)C1 ZINC001344070631 1390753621 /nfs/dbraw/zinc/75/36/21/1390753621.db2.gz VLVSYLHLVBQLLI-HZPDHXFCSA-N 1 2 341.411 3.281 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)CCc1[nH+]ccn1C ZINC001346470876 1390943199 /nfs/dbraw/zinc/94/31/99/1390943199.db2.gz FOOFIUIVYVASMW-ZDUSSCGKSA-N 1 2 328.441 3.386 20 30 EGEDLO C=C[C@@H](C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1ccccc1 ZINC001348855606 1391276109 /nfs/dbraw/zinc/27/61/09/1391276109.db2.gz YPSRBRLIYGTNOT-YLJYHZDGSA-N 1 2 335.451 3.257 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@](C)(OC)CC1 ZINC001351614944 1391657881 /nfs/dbraw/zinc/65/78/81/1391657881.db2.gz BPRMZBOXFQAIPF-LPHOPBHVSA-N 1 2 347.507 3.016 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@](C)(OC)CC1 ZINC001351614944 1391657884 /nfs/dbraw/zinc/65/78/84/1391657884.db2.gz BPRMZBOXFQAIPF-LPHOPBHVSA-N 1 2 347.507 3.016 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1nc(C(C)C)no1 ZINC001480345690 1392697821 /nfs/dbraw/zinc/69/78/21/1392697821.db2.gz LMWKUQOWLSLIHN-OAHLLOKOSA-N 1 2 348.491 3.266 20 30 EGEDLO Cc1cc(Cl)cc(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)c1 ZINC001480891514 1393001362 /nfs/dbraw/zinc/00/13/62/1393001362.db2.gz UYDMZHDAQTVRQL-UHFFFAOYSA-N 1 2 341.842 3.382 20 30 EGEDLO Cc1cc(Cl)cc(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)c1 ZINC001480891514 1393001367 /nfs/dbraw/zinc/00/13/67/1393001367.db2.gz UYDMZHDAQTVRQL-UHFFFAOYSA-N 1 2 341.842 3.382 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)c2ccncc2F)CC1 ZINC001490613241 1394282353 /nfs/dbraw/zinc/28/23/53/1394282353.db2.gz ZUOGZADOBXQFIE-UHFFFAOYSA-N 1 2 339.842 3.290 20 30 EGEDLO CC(C)(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001481522956 1394372713 /nfs/dbraw/zinc/37/27/13/1394372713.db2.gz JPPWRPDUQIGHKR-MRXNPFEDSA-N 1 2 331.435 3.214 20 30 EGEDLO CC(C)(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001481522956 1394372718 /nfs/dbraw/zinc/37/27/18/1394372718.db2.gz JPPWRPDUQIGHKR-MRXNPFEDSA-N 1 2 331.435 3.214 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CCCC3CC3)C2)c(F)c1 ZINC001481527801 1394380613 /nfs/dbraw/zinc/38/06/13/1394380613.db2.gz KOULABXKOBOQNJ-GOSISDBHSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CCCC3CC3)C2)c(F)c1 ZINC001481527801 1394380617 /nfs/dbraw/zinc/38/06/17/1394380617.db2.gz KOULABXKOBOQNJ-GOSISDBHSA-N 1 2 343.446 3.358 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C2(CCC)CCC2)C1 ZINC001481737842 1394485011 /nfs/dbraw/zinc/48/50/11/1394485011.db2.gz PDGGUHIQIFNJRJ-CQSZACIVSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(CCC)CCC2)C1 ZINC001481737842 1394485017 /nfs/dbraw/zinc/48/50/17/1394485017.db2.gz PDGGUHIQIFNJRJ-CQSZACIVSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)Cc2ccc(F)c(F)c2)C1 ZINC001481773544 1394518783 /nfs/dbraw/zinc/51/87/83/1394518783.db2.gz XHEGDVZWUNHIEF-AWEZNQCLSA-N 1 2 342.817 3.183 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)Cc2ccc(F)c(F)c2)C1 ZINC001481773544 1394518788 /nfs/dbraw/zinc/51/87/88/1394518788.db2.gz XHEGDVZWUNHIEF-AWEZNQCLSA-N 1 2 342.817 3.183 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc2nc(C)sc2c1 ZINC001485368191 1395845021 /nfs/dbraw/zinc/84/50/21/1395845021.db2.gz NKGLDGFCLBJOFF-NSHDSACASA-N 1 2 337.876 3.407 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc2nc(C)sc2c1 ZINC001485368191 1395845027 /nfs/dbraw/zinc/84/50/27/1395845027.db2.gz NKGLDGFCLBJOFF-NSHDSACASA-N 1 2 337.876 3.407 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C2(c3cccnc3)CCCC2)C1 ZINC001485517521 1395993907 /nfs/dbraw/zinc/99/39/07/1395993907.db2.gz RFKIHIPKIJWWEI-OAHLLOKOSA-N 1 2 347.890 3.082 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCCc2ccccn2)[C@@H]1C ZINC001486184566 1396181067 /nfs/dbraw/zinc/18/10/67/1396181067.db2.gz WHXNYBYRGLVWLB-DOTOQJQBSA-N 1 2 335.879 3.126 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCCc2ccccn2)[C@@H]1C ZINC001486184566 1396181068 /nfs/dbraw/zinc/18/10/68/1396181068.db2.gz WHXNYBYRGLVWLB-DOTOQJQBSA-N 1 2 335.879 3.126 20 30 EGEDLO CCCc1ccc(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)s1 ZINC001492261383 1396317172 /nfs/dbraw/zinc/31/71/72/1396317172.db2.gz AJBNILOHVGGPHQ-UHFFFAOYSA-N 1 2 341.480 3.434 20 30 EGEDLO CCCc1ccc(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)s1 ZINC001492261383 1396317173 /nfs/dbraw/zinc/31/71/73/1396317173.db2.gz AJBNILOHVGGPHQ-UHFFFAOYSA-N 1 2 341.480 3.434 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCCC[C@H]1CNC(=O)C1(C)CCC1 ZINC001725236475 1425822936 /nfs/dbraw/zinc/82/29/36/1425822936.db2.gz APCSILVRBBXGNB-AWEZNQCLSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001690983197 1404895472 /nfs/dbraw/zinc/89/54/72/1404895472.db2.gz ANEJRWHPNFAKDN-LSDHHAIUSA-N 1 2 327.255 3.244 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001690983197 1404895478 /nfs/dbraw/zinc/89/54/78/1404895478.db2.gz ANEJRWHPNFAKDN-LSDHHAIUSA-N 1 2 327.255 3.244 20 30 EGEDLO CCC(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001691056463 1404977522 /nfs/dbraw/zinc/97/75/22/1404977522.db2.gz ZPPDTUUAQCDXNZ-INIZCTEOSA-N 1 2 331.435 3.166 20 30 EGEDLO CCC(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001691056463 1404977528 /nfs/dbraw/zinc/97/75/28/1404977528.db2.gz ZPPDTUUAQCDXNZ-INIZCTEOSA-N 1 2 331.435 3.166 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)Cn1cc(C)c2ccccc21 ZINC001691099658 1405038097 /nfs/dbraw/zinc/03/80/97/1405038097.db2.gz DZKMZGSDHNJEGN-INIZCTEOSA-N 1 2 345.874 3.283 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc(C)c2ccccc21 ZINC001691099658 1405038101 /nfs/dbraw/zinc/03/81/01/1405038101.db2.gz DZKMZGSDHNJEGN-INIZCTEOSA-N 1 2 345.874 3.283 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C1(c2ccccc2OC)CC1 ZINC001691112054 1405052431 /nfs/dbraw/zinc/05/24/31/1405052431.db2.gz DJDPOVHQIRZIKE-HNNXBMFYSA-N 1 2 348.874 3.060 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C1(c2ccccc2OC)CC1 ZINC001691112054 1405052436 /nfs/dbraw/zinc/05/24/36/1405052436.db2.gz DJDPOVHQIRZIKE-HNNXBMFYSA-N 1 2 348.874 3.060 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)CCC(C)C)C1 ZINC001732179361 1428427062 /nfs/dbraw/zinc/42/70/62/1428427062.db2.gz XLOLAHOEJKHKMT-CQSZACIVSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCC(C)C)C1 ZINC001732179361 1428427064 /nfs/dbraw/zinc/42/70/64/1428427064.db2.gz XLOLAHOEJKHKMT-CQSZACIVSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1coc(-c2ccccc2)n1 ZINC001699468186 1412840620 /nfs/dbraw/zinc/84/06/20/1412840620.db2.gz ROUNBGWNPRYZDX-ZDUSSCGKSA-N 1 2 333.819 3.144 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1coc(-c2ccccc2)n1 ZINC001699468186 1412840626 /nfs/dbraw/zinc/84/06/26/1412840626.db2.gz ROUNBGWNPRYZDX-ZDUSSCGKSA-N 1 2 333.819 3.144 20 30 EGEDLO C[C@]1(NC(=O)C2(F)CCCC2)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001699818617 1413237124 /nfs/dbraw/zinc/23/71/24/1413237124.db2.gz MHJKHNJBOCREJN-SFHVURJKSA-N 1 2 347.409 3.060 20 30 EGEDLO C[C@]1(NC(=O)C2(F)CCCC2)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001699818617 1413237126 /nfs/dbraw/zinc/23/71/26/1413237126.db2.gz MHJKHNJBOCREJN-SFHVURJKSA-N 1 2 347.409 3.060 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cn(C)c2ccc(F)cc12 ZINC001700461502 1414061024 /nfs/dbraw/zinc/06/10/24/1414061024.db2.gz QDXNNHJPHDQWMX-GFCCVEGCSA-N 1 2 337.826 3.120 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cn(C)c2ccc(F)cc12 ZINC001700461502 1414061030 /nfs/dbraw/zinc/06/10/30/1414061030.db2.gz QDXNNHJPHDQWMX-GFCCVEGCSA-N 1 2 337.826 3.120 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C1(c2cccc(F)c2)CCC1 ZINC001700471777 1414090529 /nfs/dbraw/zinc/09/05/29/1414090529.db2.gz XLMHNUMYGVXMOG-CQSZACIVSA-N 1 2 338.854 3.436 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C1(c2cccc(F)c2)CCC1 ZINC001700471777 1414090532 /nfs/dbraw/zinc/09/05/32/1414090532.db2.gz XLMHNUMYGVXMOG-CQSZACIVSA-N 1 2 338.854 3.436 20 30 EGEDLO CCCC[C@@](C)(F)C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001713084332 1417630496 /nfs/dbraw/zinc/63/04/96/1417630496.db2.gz ASJFFFHZXHHGBU-QFBILLFUSA-N 1 2 349.425 3.306 20 30 EGEDLO CCCC[C@@](C)(F)C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001713084332 1417630499 /nfs/dbraw/zinc/63/04/99/1417630499.db2.gz ASJFFFHZXHHGBU-QFBILLFUSA-N 1 2 349.425 3.306 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)C1(C(F)(F)F)CCC1 ZINC001713253024 1417847134 /nfs/dbraw/zinc/84/71/34/1417847134.db2.gz LACRKISFBYJBIL-LBPRGKRZSA-N 1 2 338.801 3.442 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)C1(C(F)(F)F)CCC1 ZINC001713253024 1417847137 /nfs/dbraw/zinc/84/71/37/1417847137.db2.gz LACRKISFBYJBIL-LBPRGKRZSA-N 1 2 338.801 3.442 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccc(Cl)c(OC)c1 ZINC001715957735 1420424243 /nfs/dbraw/zinc/42/42/43/1420424243.db2.gz JRRWKTZEJIAQIJ-UHFFFAOYSA-N 1 2 331.243 3.105 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccc(Cl)c(OC)c1 ZINC001715957735 1420424245 /nfs/dbraw/zinc/42/42/45/1420424245.db2.gz JRRWKTZEJIAQIJ-UHFFFAOYSA-N 1 2 331.243 3.105 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cn1cc(C)c2ccccc21 ZINC001715971938 1420434709 /nfs/dbraw/zinc/43/47/09/1420434709.db2.gz WVTNXCFMRBVALH-UHFFFAOYSA-N 1 2 333.863 3.092 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cn1cc(C)c2ccccc21 ZINC001715971938 1420434712 /nfs/dbraw/zinc/43/47/12/1420434712.db2.gz WVTNXCFMRBVALH-UHFFFAOYSA-N 1 2 333.863 3.092 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc2cc(C)ccc2n1 ZINC001716034209 1420493667 /nfs/dbraw/zinc/49/36/67/1420493667.db2.gz ZFZJJLRYKSPWSW-AWEZNQCLSA-N 1 2 331.847 3.346 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccc2cc(C)ccc2n1 ZINC001716034209 1420493669 /nfs/dbraw/zinc/49/36/69/1420493669.db2.gz ZFZJJLRYKSPWSW-AWEZNQCLSA-N 1 2 331.847 3.346 20 30 EGEDLO C[C@H](C#N)C(=O)NCc1ccc2c(c1)C[N@@H+](Cc1ccc(F)cc1)C2 ZINC001717269504 1421225240 /nfs/dbraw/zinc/22/52/40/1421225240.db2.gz PAUZSXPDCJGRRT-CQSZACIVSA-N 1 2 337.398 3.117 20 30 EGEDLO C[C@H](C#N)C(=O)NCc1ccc2c(c1)C[N@H+](Cc1ccc(F)cc1)C2 ZINC001717269504 1421225242 /nfs/dbraw/zinc/22/52/42/1421225242.db2.gz PAUZSXPDCJGRRT-CQSZACIVSA-N 1 2 337.398 3.117 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc(N(C)CCC)cc1 ZINC001722926377 1424258995 /nfs/dbraw/zinc/25/89/95/1424258995.db2.gz MBLJYCXKSUHSTL-HNNXBMFYSA-N 1 2 337.895 3.335 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(N(C)CCC)cc1 ZINC001722926377 1424258999 /nfs/dbraw/zinc/25/89/99/1424258999.db2.gz MBLJYCXKSUHSTL-HNNXBMFYSA-N 1 2 337.895 3.335 20 30 EGEDLO C=C(Br)C[N@H+]1CCCCC[C@H]1CNC(=O)C1(C)CCC1 ZINC001725236475 1425822925 /nfs/dbraw/zinc/82/29/25/1425822925.db2.gz APCSILVRBBXGNB-AWEZNQCLSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)CCCC2CC2)CC1 ZINC001731349852 1427288249 /nfs/dbraw/zinc/28/82/49/1427288249.db2.gz PPLGDBGUAUAFKK-UHFFFAOYSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](C)CCc1cccc(F)c1 ZINC001731795427 1427946632 /nfs/dbraw/zinc/94/66/32/1427946632.db2.gz GUSCVFKCDPTKQK-CYBMUJFWSA-N 1 2 326.843 3.195 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](C)CCc1cccc(F)c1 ZINC001731795427 1427946635 /nfs/dbraw/zinc/94/66/35/1427946635.db2.gz GUSCVFKCDPTKQK-CYBMUJFWSA-N 1 2 326.843 3.195 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)C2(F)CCCC2)c(F)c1 ZINC001731826903 1428031492 /nfs/dbraw/zinc/03/14/92/1428031492.db2.gz FQIHBAFOWCMMHC-INIZCTEOSA-N 1 2 347.409 3.060 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)C2(F)CCCC2)c(F)c1 ZINC001731826903 1428031498 /nfs/dbraw/zinc/03/14/98/1428031498.db2.gz FQIHBAFOWCMMHC-INIZCTEOSA-N 1 2 347.409 3.060 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)C2(F)CCCC2)c(F)c1 ZINC001731826905 1428031904 /nfs/dbraw/zinc/03/19/04/1428031904.db2.gz FQIHBAFOWCMMHC-MRXNPFEDSA-N 1 2 347.409 3.060 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)C2(F)CCCC2)c(F)c1 ZINC001731826905 1428031908 /nfs/dbraw/zinc/03/19/08/1428031908.db2.gz FQIHBAFOWCMMHC-MRXNPFEDSA-N 1 2 347.409 3.060 20 30 EGEDLO N#Cc1ccc(C[N@H+](CCNC(=O)CC2CCCC2)C2CC2)c(F)c1 ZINC001731872865 1428132018 /nfs/dbraw/zinc/13/20/18/1428132018.db2.gz PKXXNZOXSSRNAS-UHFFFAOYSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(C[N@@H+](CCNC(=O)CC2CCCC2)C2CC2)c(F)c1 ZINC001731872865 1428132021 /nfs/dbraw/zinc/13/20/21/1428132021.db2.gz PKXXNZOXSSRNAS-UHFFFAOYSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)c1cccc(F)c1)C1CC1 ZINC001731872707 1428132546 /nfs/dbraw/zinc/13/25/46/1428132546.db2.gz NWGKDVPBKVYAPJ-UHFFFAOYSA-N 1 2 337.398 3.092 20 30 EGEDLO N#Cc1ccccc1C[N@H+](CCNC(=O)c1cccc(F)c1)C1CC1 ZINC001731872707 1428132550 /nfs/dbraw/zinc/13/25/50/1428132550.db2.gz NWGKDVPBKVYAPJ-UHFFFAOYSA-N 1 2 337.398 3.092 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)CC2(C)CC2)C[C@H]1C ZINC001733900223 1437717906 /nfs/dbraw/zinc/71/79/06/1437717906.db2.gz OHOYLZJAMJREPQ-CHWSQXEVSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)CC2(C)CC2)C[C@H]1C ZINC001733900223 1437717908 /nfs/dbraw/zinc/71/79/08/1437717908.db2.gz OHOYLZJAMJREPQ-CHWSQXEVSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)CCC1(C)CC1 ZINC001733938040 1437752946 /nfs/dbraw/zinc/75/29/46/1437752946.db2.gz MHXHKLOSVPWFBZ-AWEZNQCLSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CCC1(C)CC1 ZINC001733938040 1437752949 /nfs/dbraw/zinc/75/29/49/1437752949.db2.gz MHXHKLOSVPWFBZ-AWEZNQCLSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2c(C)oc3ccccc32)C1 ZINC001734131729 1437907636 /nfs/dbraw/zinc/90/76/36/1437907636.db2.gz UTKBAZIMSHCFJH-CYBMUJFWSA-N 1 2 346.858 3.473 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC001752156573 1440147279 /nfs/dbraw/zinc/14/72/79/1440147279.db2.gz HRTQXDIWQBLFRU-GWCFXTLKSA-N 1 2 346.809 3.073 20 30 EGEDLO C=CCCC(=O)N(C)C1CC[NH+]([C@@H](C)c2nc(CCCC)no2)CC1 ZINC001752295163 1440166744 /nfs/dbraw/zinc/16/67/44/1440166744.db2.gz OGLONBQZNQYFSP-HNNXBMFYSA-N 1 2 348.491 3.362 20 30 EGEDLO C=CCC(CC=C)C(=O)N(C)C1CC[NH+](Cc2cc(C)on2)CC1 ZINC001752301517 1440167826 /nfs/dbraw/zinc/16/78/26/1440167826.db2.gz MPRGQCXQVKDHBJ-UHFFFAOYSA-N 1 2 331.460 3.174 20 30 EGEDLO C=CCC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1csnn1 ZINC001752698278 1440201349 /nfs/dbraw/zinc/20/13/49/1440201349.db2.gz GDTDZQRIVCMIEE-FFHGMXDLSA-N 1 2 348.516 3.313 20 30 EGEDLO C=CCC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1csnn1 ZINC001752698278 1440201350 /nfs/dbraw/zinc/20/13/50/1440201350.db2.gz GDTDZQRIVCMIEE-FFHGMXDLSA-N 1 2 348.516 3.313 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1Cc1csnn1 ZINC001752833664 1440226567 /nfs/dbraw/zinc/22/65/67/1440226567.db2.gz IIDCIHGAFXGWMC-SJORKVTESA-N 1 2 348.516 3.240 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@H+]1Cc1csnn1 ZINC001752833664 1440226568 /nfs/dbraw/zinc/22/65/68/1440226568.db2.gz IIDCIHGAFXGWMC-SJORKVTESA-N 1 2 348.516 3.240 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2nc(C)oc2C)C1 ZINC001752995607 1440261928 /nfs/dbraw/zinc/26/19/28/1440261928.db2.gz XUXXPZNLNBOGIK-IAGOWNOFSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2nc(C)oc2C)C1 ZINC001752995607 1440261929 /nfs/dbraw/zinc/26/19/29/1440261929.db2.gz XUXXPZNLNBOGIK-IAGOWNOFSA-N 1 2 333.476 3.317 20 30 EGEDLO C[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)Cc1cc(C#N)ccc1F ZINC001753058170 1440282225 /nfs/dbraw/zinc/28/22/25/1440282225.db2.gz MASHCQKPYUKKAD-OSYLJGHBSA-N 1 2 343.446 3.072 20 30 EGEDLO C[N@@H+](CCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)Cc1cc(C#N)ccc1F ZINC001753058170 1440282226 /nfs/dbraw/zinc/28/22/26/1440282226.db2.gz MASHCQKPYUKKAD-OSYLJGHBSA-N 1 2 343.446 3.072 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001753105892 1440306396 /nfs/dbraw/zinc/30/63/96/1440306396.db2.gz JMMGQRMTAQGGJA-GOSISDBHSA-N 1 2 329.419 3.134 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001753105892 1440306397 /nfs/dbraw/zinc/30/63/97/1440306397.db2.gz JMMGQRMTAQGGJA-GOSISDBHSA-N 1 2 329.419 3.134 20 30 EGEDLO C=C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1nocc1C)c1ccccc1 ZINC001753114170 1440310234 /nfs/dbraw/zinc/31/02/34/1440310234.db2.gz CXVZNLWGDZMMDY-ZWKOTPCHSA-N 1 2 339.439 3.033 20 30 EGEDLO C=C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1nocc1C)c1ccccc1 ZINC001753114170 1440310235 /nfs/dbraw/zinc/31/02/35/1440310235.db2.gz CXVZNLWGDZMMDY-ZWKOTPCHSA-N 1 2 339.439 3.033 20 30 EGEDLO C=CC1(CC(=O)N(C)CC[NH2+]Cc2nc(C)c(C)o2)CCCCC1 ZINC001753241462 1440342097 /nfs/dbraw/zinc/34/20/97/1440342097.db2.gz WZPPDMBMGKQZHR-UHFFFAOYSA-N 1 2 333.476 3.366 20 30 EGEDLO CC[C@@H](C)[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001753309685 1440356168 /nfs/dbraw/zinc/35/61/68/1440356168.db2.gz UXICJIWAWVCNEB-GJJHYRHESA-N 1 2 339.483 3.416 20 30 EGEDLO CC[C@@H](C)[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001753309685 1440356169 /nfs/dbraw/zinc/35/61/69/1440356169.db2.gz UXICJIWAWVCNEB-GJJHYRHESA-N 1 2 339.483 3.416 20 30 EGEDLO C#CCCCCC(=O)NC1C[NH+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001753374497 1440387237 /nfs/dbraw/zinc/38/72/37/1440387237.db2.gz GXPSQKJNNAUVPY-HKUYNNGSSA-N 1 2 346.421 3.029 20 30 EGEDLO C=CCC1(C(=O)N(C)[C@@H]2CC[N@@H+]([C@H](C)c3ncccn3)C2)CCCC1 ZINC001753450781 1440406004 /nfs/dbraw/zinc/40/60/04/1440406004.db2.gz UBGSKWQUWQIJFQ-IAGOWNOFSA-N 1 2 342.487 3.207 20 30 EGEDLO C=CCC1(C(=O)N(C)[C@@H]2CC[N@H+]([C@H](C)c3ncccn3)C2)CCCC1 ZINC001753450781 1440406005 /nfs/dbraw/zinc/40/60/05/1440406005.db2.gz UBGSKWQUWQIJFQ-IAGOWNOFSA-N 1 2 342.487 3.207 20 30 EGEDLO CCN(C(=O)[C@@H](C)C(C)C)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001753458591 1440409415 /nfs/dbraw/zinc/40/94/15/1440409415.db2.gz JAPTZXWOQRJTJN-KXBFYZLASA-N 1 2 345.462 3.412 20 30 EGEDLO CCN(C(=O)[C@@H](C)C(C)C)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001753458591 1440409416 /nfs/dbraw/zinc/40/94/16/1440409416.db2.gz JAPTZXWOQRJTJN-KXBFYZLASA-N 1 2 345.462 3.412 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)C[C@H]2OCc3ccccc32)C1 ZINC001753461242 1440410657 /nfs/dbraw/zinc/41/06/57/1440410657.db2.gz GZOGBQQHPNCHAA-SJLPKXTDSA-N 1 2 348.874 3.323 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@H]2OCc3ccccc32)C1 ZINC001753461242 1440410658 /nfs/dbraw/zinc/41/06/58/1440410658.db2.gz GZOGBQQHPNCHAA-SJLPKXTDSA-N 1 2 348.874 3.323 20 30 EGEDLO C=CCCC(=O)N1CCC2(C[NH+](Cc3ccncc3Cl)C2)CC1 ZINC001753673135 1440462656 /nfs/dbraw/zinc/46/26/56/1440462656.db2.gz YOYCAZXHDVDLJX-UHFFFAOYSA-N 1 2 333.863 3.126 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC2(C[NH+](Cc3nocc3C)C2)CC1 ZINC001753675198 1440463161 /nfs/dbraw/zinc/46/31/61/1440463161.db2.gz VNNDAAQARMGMJW-INIZCTEOSA-N 1 2 331.460 3.010 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc(C)nn1C(CC)CC ZINC001753857158 1440509536 /nfs/dbraw/zinc/50/95/36/1440509536.db2.gz HLRIAWOKVJLVLX-UHFFFAOYSA-N 1 2 340.899 3.309 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc(C)nn1C(CC)CC ZINC001753857158 1440509537 /nfs/dbraw/zinc/50/95/37/1440509537.db2.gz HLRIAWOKVJLVLX-UHFFFAOYSA-N 1 2 340.899 3.309 20 30 EGEDLO C=CC1(CC(=O)N[C@@H](C)C[N@H+](C)Cc2cc(C)on2)CCCCC1 ZINC001754334992 1440586139 /nfs/dbraw/zinc/58/61/39/1440586139.db2.gz FDWMINXMYRTCOJ-HNNXBMFYSA-N 1 2 333.476 3.446 20 30 EGEDLO C=CC1(CC(=O)N[C@@H](C)C[N@@H+](C)Cc2cc(C)on2)CCCCC1 ZINC001754334992 1440586140 /nfs/dbraw/zinc/58/61/40/1440586140.db2.gz FDWMINXMYRTCOJ-HNNXBMFYSA-N 1 2 333.476 3.446 20 30 EGEDLO C=CC1(CC(=O)NC[C@@H]2CC[N@H+]2[C@@H](C)c2cnccn2)CCCCC1 ZINC001754497197 1440612871 /nfs/dbraw/zinc/61/28/71/1440612871.db2.gz KQGSAODAQTZGHY-IRXDYDNUSA-N 1 2 342.487 3.255 20 30 EGEDLO C=CC1(CC(=O)NC[C@@H]2CC[N@@H+]2[C@@H](C)c2cnccn2)CCCCC1 ZINC001754497197 1440612872 /nfs/dbraw/zinc/61/28/72/1440612872.db2.gz KQGSAODAQTZGHY-IRXDYDNUSA-N 1 2 342.487 3.255 20 30 EGEDLO C=CCC1(C(=O)NC[C@H]2CC[N@@H+]2CC#Cc2ccccc2)CCCC1 ZINC001754503743 1440615405 /nfs/dbraw/zinc/61/54/05/1440615405.db2.gz AUZOXNOPFFRVKQ-HXUWFJFHSA-N 1 2 336.479 3.365 20 30 EGEDLO C=CCC1(C(=O)NC[C@H]2CC[N@H+]2CC#Cc2ccccc2)CCCC1 ZINC001754503743 1440615406 /nfs/dbraw/zinc/61/54/06/1440615406.db2.gz AUZOXNOPFFRVKQ-HXUWFJFHSA-N 1 2 336.479 3.365 20 30 EGEDLO CCc1ccc(C(=O)N2CCC([N@H+](CC#N)CC3CC3)CC2)s1 ZINC001754548548 1440629030 /nfs/dbraw/zinc/62/90/30/1440629030.db2.gz VMLHVOWUFGSSEV-UHFFFAOYSA-N 1 2 331.485 3.151 20 30 EGEDLO CCc1ccc(C(=O)N2CCC([N@@H+](CC#N)CC3CC3)CC2)s1 ZINC001754548548 1440629031 /nfs/dbraw/zinc/62/90/31/1440629031.db2.gz VMLHVOWUFGSSEV-UHFFFAOYSA-N 1 2 331.485 3.151 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccnc1 ZINC001754552400 1440630319 /nfs/dbraw/zinc/63/03/19/1440630319.db2.gz FYFRVYCQYKWGPN-YTQUADARSA-N 1 2 327.472 3.249 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccnc1 ZINC001754552400 1440630320 /nfs/dbraw/zinc/63/03/20/1440630320.db2.gz FYFRVYCQYKWGPN-YTQUADARSA-N 1 2 327.472 3.249 20 30 EGEDLO C#CCCCCCC(=O)NC1(C)CC[NH+](Cc2coc(C)n2)CC1 ZINC001754628497 1440646967 /nfs/dbraw/zinc/64/69/67/1440646967.db2.gz WNRIJPOZPRRBTO-UHFFFAOYSA-N 1 2 331.460 3.037 20 30 EGEDLO C=CCCC(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(F)c(OC)c(F)c2)C1 ZINC001754668643 1440657277 /nfs/dbraw/zinc/65/72/77/1440657277.db2.gz PHULWONZCBQVMS-SFHVURJKSA-N 1 2 338.398 3.020 20 30 EGEDLO C=CCCC(=O)N[C@@]1(C)CC[N@H+](Cc2cc(F)c(OC)c(F)c2)C1 ZINC001754668643 1440657278 /nfs/dbraw/zinc/65/72/78/1440657278.db2.gz PHULWONZCBQVMS-SFHVURJKSA-N 1 2 338.398 3.020 20 30 EGEDLO C=CC(C)(C)C(=O)NCC1(C)CC[NH+]([C@H](C)c2csnn2)CC1 ZINC001754718816 1440672488 /nfs/dbraw/zinc/67/24/88/1440672488.db2.gz NUEHTMUHYQWYNZ-CYBMUJFWSA-N 1 2 336.505 3.030 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCC[N@H+](C)C/C(Cl)=C\Cl ZINC001755045848 1440740776 /nfs/dbraw/zinc/74/07/76/1440740776.db2.gz KTXXVTPNCQILET-CMOQBRTCSA-N 1 2 349.302 3.067 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCC[N@@H+](C)C/C(Cl)=C\Cl ZINC001755045848 1440740777 /nfs/dbraw/zinc/74/07/77/1440740777.db2.gz KTXXVTPNCQILET-CMOQBRTCSA-N 1 2 349.302 3.067 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2nc(C(C)(C)C)no2)CC1(C)C ZINC001755137837 1440759001 /nfs/dbraw/zinc/75/90/01/1440759001.db2.gz WECQZPCKBZYFIS-AWEZNQCLSA-N 1 2 348.491 3.050 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2nc(C(C)(C)C)no2)CC1(C)C ZINC001755137837 1440759002 /nfs/dbraw/zinc/75/90/02/1440759002.db2.gz WECQZPCKBZYFIS-AWEZNQCLSA-N 1 2 348.491 3.050 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C(C)(C)C(C)(F)F ZINC001755171032 1440768914 /nfs/dbraw/zinc/76/89/14/1440768914.db2.gz HVYFZFRMDUGIMF-INIZCTEOSA-N 1 2 334.410 3.017 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C(C)(C)C(C)(F)F ZINC001755171032 1440768915 /nfs/dbraw/zinc/76/89/15/1440768915.db2.gz HVYFZFRMDUGIMF-INIZCTEOSA-N 1 2 334.410 3.017 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H]1C[N@@H+](C)[C@@H](C)c1nc(C(C)C)no1 ZINC001755189861 1440774233 /nfs/dbraw/zinc/77/42/33/1440774233.db2.gz UQCVVDUGNYLJCW-GJZGRUSLSA-N 1 2 334.464 3.143 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H]1C[N@H+](C)[C@@H](C)c1nc(C(C)C)no1 ZINC001755189861 1440774234 /nfs/dbraw/zinc/77/42/34/1440774234.db2.gz UQCVVDUGNYLJCW-GJZGRUSLSA-N 1 2 334.464 3.143 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(F)c2F)CC1(C)C ZINC001755404573 1440843825 /nfs/dbraw/zinc/84/38/25/1440843825.db2.gz DXBYPORLHORPNT-QGZVFWFLSA-N 1 2 348.437 3.485 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](Cc2cccc(F)c2F)CC1(C)C ZINC001755404573 1440843826 /nfs/dbraw/zinc/84/38/26/1440843826.db2.gz DXBYPORLHORPNT-QGZVFWFLSA-N 1 2 348.437 3.485 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@@H]([NH2+]Cc2nc(CCCC)no2)C[C@@H]1C ZINC001755676896 1440894725 /nfs/dbraw/zinc/89/47/25/1440894725.db2.gz SNRVRIQOLVEMBX-GJZGRUSLSA-N 1 2 348.491 3.094 20 30 EGEDLO C=CCCCC(=O)N[C@@H](C)C1CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC001755847947 1440934041 /nfs/dbraw/zinc/93/40/41/1440934041.db2.gz LVIMBZGEEUOXGI-AWEZNQCLSA-N 1 2 346.475 3.020 20 30 EGEDLO C=CCCCC(=O)NCC1=CC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001755892956 1440941857 /nfs/dbraw/zinc/94/18/57/1440941857.db2.gz BWTYRWMIMUORLN-UHFFFAOYSA-N 1 2 349.456 3.261 20 30 EGEDLO C=CCCCC(=O)NCC1=CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001755892956 1440941858 /nfs/dbraw/zinc/94/18/58/1440941858.db2.gz BWTYRWMIMUORLN-UHFFFAOYSA-N 1 2 349.456 3.261 20 30 EGEDLO O=C(C=Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826399603 948214869 /nfs/dbraw/zinc/21/48/69/948214869.db2.gz AEYPLIAZHLYYSP-WAYWQWQTSA-N 1 2 348.391 3.010 20 30 EGEDLO Cc1nsc(N2CC[NH+]([C@H]3CCc4ccc(F)cc43)CC2)c1C#N ZINC000352177208 282434085 /nfs/dbraw/zinc/43/40/85/282434085.db2.gz ZKDZJMADXOGMHP-KRWDZBQOSA-N 1 2 342.443 3.272 20 30 EGEDLO N#Cc1ccc(CN2CCc3c([nH+]cn3-c3ccccc3)C2)c(F)c1 ZINC000351030704 283142883 /nfs/dbraw/zinc/14/28/83/283142883.db2.gz VSWFJIYMUPIDCI-UHFFFAOYSA-N 1 2 332.382 3.441 20 30 EGEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCc4c(F)cccc4C3)C2=O)cc1 ZINC000352768550 283158139 /nfs/dbraw/zinc/15/81/39/283158139.db2.gz IUOOZMQHUQQPFD-HXUWFJFHSA-N 1 2 349.409 3.251 20 30 EGEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCc4c(F)cccc4C3)C2=O)cc1 ZINC000352768550 283158144 /nfs/dbraw/zinc/15/81/44/283158144.db2.gz IUOOZMQHUQQPFD-HXUWFJFHSA-N 1 2 349.409 3.251 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(c3ccncn3)CC2)c1C ZINC000298029314 202200775 /nfs/dbraw/zinc/20/07/75/202200775.db2.gz BZEZJNUOBFHWAQ-UHFFFAOYSA-N 1 2 338.455 3.143 20 30 EGEDLO C=CCCCC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000274076989 201265975 /nfs/dbraw/zinc/26/59/75/201265975.db2.gz WOHHPCPBZYTCAO-UHFFFAOYSA-N 1 2 336.233 3.378 20 30 EGEDLO C=CCc1cc(C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)cc(OC)c1OC ZINC000276661919 201297457 /nfs/dbraw/zinc/29/74/57/201297457.db2.gz TWLGZYPSOIXYSR-INIZCTEOSA-N 1 2 343.427 3.283 20 30 EGEDLO C=CCOc1ccc(C(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)cc1OC ZINC000276609069 201297632 /nfs/dbraw/zinc/29/76/32/201297632.db2.gz MNZCKUZYQPIPOP-MRXNPFEDSA-N 1 2 329.400 3.110 20 30 EGEDLO C#CCC1(C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)CCCCC1 ZINC000276708907 201305263 /nfs/dbraw/zinc/30/52/63/201305263.db2.gz VIPLIDXUOMEUON-SFHVURJKSA-N 1 2 339.483 3.261 20 30 EGEDLO C=CC[C@@H]1[N@H+](Cc2noc(CCCC(=O)OC)n2)CCCC1(C)C ZINC000277751351 201307674 /nfs/dbraw/zinc/30/76/74/201307674.db2.gz LPVITYMUNIPJRI-AWEZNQCLSA-N 1 2 335.448 3.132 20 30 EGEDLO C=CC[C@@H]1[N@@H+](Cc2noc(CCCC(=O)OC)n2)CCCC1(C)C ZINC000277751351 201307677 /nfs/dbraw/zinc/30/76/77/201307677.db2.gz LPVITYMUNIPJRI-AWEZNQCLSA-N 1 2 335.448 3.132 20 30 EGEDLO C#CCC1(C(=O)N2CCC[N@H+](Cc3cscn3)CC2)CCCCC1 ZINC000276357875 201292974 /nfs/dbraw/zinc/29/29/74/201292974.db2.gz XXOZLIDGMKRARJ-UHFFFAOYSA-N 1 2 345.512 3.151 20 30 EGEDLO C#CCC1(C(=O)N2CCC[N@@H+](Cc3cscn3)CC2)CCCCC1 ZINC000276357875 201292978 /nfs/dbraw/zinc/29/29/78/201292978.db2.gz XXOZLIDGMKRARJ-UHFFFAOYSA-N 1 2 345.512 3.151 20 30 EGEDLO C#CCC1(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCCCC1 ZINC000276239207 201293522 /nfs/dbraw/zinc/29/35/22/201293522.db2.gz FTXZRGIIHXSXMB-UHFFFAOYSA-N 1 2 325.456 3.272 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)OCC ZINC000279350185 201317225 /nfs/dbraw/zinc/31/72/25/201317225.db2.gz BTZQSRBUHUMHKE-GOSISDBHSA-N 1 2 345.487 3.297 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cnc(-c3ccco3)s2)n1 ZINC000279468089 201317852 /nfs/dbraw/zinc/31/78/52/201317852.db2.gz VDTWOMWOYGHBJP-UHFFFAOYSA-N 1 2 326.425 3.255 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cnc(-c3ccco3)s2)n1 ZINC000279468089 201317856 /nfs/dbraw/zinc/31/78/56/201317856.db2.gz VDTWOMWOYGHBJP-UHFFFAOYSA-N 1 2 326.425 3.255 20 30 EGEDLO Cc1ccc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)c(C)[nH+]1 ZINC000152337919 205732193 /nfs/dbraw/zinc/73/21/93/205732193.db2.gz NLZGSXQROQIJCA-UHFFFAOYSA-N 1 2 349.438 3.314 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000156821944 206100711 /nfs/dbraw/zinc/10/07/11/206100711.db2.gz XPULUVLKZRDJOB-ZDUSSCGKSA-N 1 2 342.830 3.059 20 30 EGEDLO COc1ccc(C[NH2+][C@@H](C)c2nc(Cc3ccccc3)no2)cc1C#N ZINC000161534557 206354913 /nfs/dbraw/zinc/35/49/13/206354913.db2.gz HDNMCIHGCOSQHJ-AWEZNQCLSA-N 1 2 348.406 3.391 20 30 EGEDLO N#Cc1c(C[NH+]2CCN(c3ccc(F)cc3)CC2)cn2ccccc12 ZINC000057383142 132200481 /nfs/dbraw/zinc/20/04/81/132200481.db2.gz WTUQMBQXZNNCJG-UHFFFAOYSA-N 1 2 334.398 3.272 20 30 EGEDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000028742990 135741472 /nfs/dbraw/zinc/74/14/72/135741472.db2.gz KWZJERSMKRFMSV-CQSZACIVSA-N 1 2 349.463 3.446 20 30 EGEDLO COc1cccc([C@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000341224118 141140905 /nfs/dbraw/zinc/14/09/05/141140905.db2.gz WKQJNDXCFKRICC-ZDUSSCGKSA-N 1 2 334.379 3.468 20 30 EGEDLO Cn1ccnc1[C@H]([NH2+]Cc1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000353449715 141298588 /nfs/dbraw/zinc/29/85/88/141298588.db2.gz RQYGKMHCIUBGGF-GOSISDBHSA-N 1 2 347.378 3.079 20 30 EGEDLO COc1ccc(C[NH+]2CCN(c3cc(F)ccc3F)CC2)cc1C#N ZINC000340195423 163504045 /nfs/dbraw/zinc/50/40/45/163504045.db2.gz KSXOCKBFJWPREB-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[NH2+]C3(c4cccc(C#N)c4)CC3)o2)cc1 ZINC000341947251 163745286 /nfs/dbraw/zinc/74/52/86/163745286.db2.gz KKWHBDUVUKUPJS-UHFFFAOYSA-N 1 2 341.374 3.259 20 30 EGEDLO C[C@H]1CCC[C@H]1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000346506182 164388305 /nfs/dbraw/zinc/38/83/05/164388305.db2.gz QZJKRLGEYJXCIT-LPHOPBHVSA-N 1 2 325.456 3.029 20 30 EGEDLO CC(C)c1nc(N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc[nH+]1 ZINC000347305554 164476685 /nfs/dbraw/zinc/47/66/85/164476685.db2.gz IIAJBMIUYHMUTR-OAHLLOKOSA-N 1 2 339.418 3.114 20 30 EGEDLO Cn1c[nH+]cc1CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000350223109 165019342 /nfs/dbraw/zinc/01/93/42/165019342.db2.gz KDTZIJBSLZVHQC-UHFFFAOYSA-N 1 2 347.378 3.406 20 30 EGEDLO Cc1cc(C(=O)Nc2ccc(C)[nH+]c2C)nn1-c1cccc(C#N)c1 ZINC000355613665 166260926 /nfs/dbraw/zinc/26/09/26/166260926.db2.gz ICNVCZFHLRFVNE-UHFFFAOYSA-N 1 2 331.379 3.317 20 30 EGEDLO CNc1ccc(C#N)cc1NC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000355630313 166266040 /nfs/dbraw/zinc/26/60/40/166266040.db2.gz SDLPIQJIRCQAPR-UHFFFAOYSA-N 1 2 333.395 3.287 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NCc1ccc(C#N)cc1F)c1cccc(F)c1 ZINC000355794131 166311470 /nfs/dbraw/zinc/31/14/70/166311470.db2.gz CYHHEVVYDASTLP-SFHVURJKSA-N 1 2 338.361 3.449 20 30 EGEDLO N#Cc1ccccc1Sc1ccccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000359678901 167207757 /nfs/dbraw/zinc/20/77/57/167207757.db2.gz IKWSEXMHONENLP-UHFFFAOYSA-N 1 2 334.404 3.363 20 30 EGEDLO N#Cc1ccccc1Sc1ccccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000359678901 167207760 /nfs/dbraw/zinc/20/77/60/167207760.db2.gz IKWSEXMHONENLP-UHFFFAOYSA-N 1 2 334.404 3.363 20 30 EGEDLO C[C@@H]([NH2+]Cc1nnnn1C1CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000359871019 167253143 /nfs/dbraw/zinc/25/31/43/167253143.db2.gz HKARCPFPLGEVER-CQSZACIVSA-N 1 2 344.422 3.397 20 30 EGEDLO C[C@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1cccc(C#N)c1 ZINC000360213889 167272855 /nfs/dbraw/zinc/27/28/55/167272855.db2.gz YPHUHQQQCXAVGR-HNNXBMFYSA-N 1 2 330.391 3.164 20 30 EGEDLO N#Cc1ccc(F)c(C[NH+]2CCN(c3cccc(F)c3F)CC2)c1 ZINC000360286737 167289926 /nfs/dbraw/zinc/28/99/26/167289926.db2.gz PLOLADSNNWLUNS-UHFFFAOYSA-N 1 2 331.341 3.298 20 30 EGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(C#N)s2)CC1 ZINC000361252186 167569691 /nfs/dbraw/zinc/56/96/91/167569691.db2.gz QGRGYHHWEKURKY-GFCCVEGCSA-N 1 2 331.466 3.200 20 30 EGEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@@H]2c2noc(C3CC3)n2)cc1 ZINC000366266400 168100057 /nfs/dbraw/zinc/10/00/57/168100057.db2.gz HLLSHXKVUUGICX-IAGOWNOFSA-N 1 2 338.411 3.079 20 30 EGEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCCC[C@@H]2c2noc(C3CC3)n2)cc1 ZINC000366266400 168100059 /nfs/dbraw/zinc/10/00/59/168100059.db2.gz HLLSHXKVUUGICX-IAGOWNOFSA-N 1 2 338.411 3.079 20 30 EGEDLO CC(=O)c1ccc2c(c1)C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C2 ZINC000411951027 270046799 /nfs/dbraw/zinc/04/67/99/270046799.db2.gz UESCZPPJWZYZQH-UHFFFAOYSA-N 1 2 333.391 3.105 20 30 EGEDLO CC(=O)c1ccc2c(c1)C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C2 ZINC000411951027 270046801 /nfs/dbraw/zinc/04/68/01/270046801.db2.gz UESCZPPJWZYZQH-UHFFFAOYSA-N 1 2 333.391 3.105 20 30 EGEDLO N#Cc1cccc(COc2cccc(C[N@@H+]3CCO[C@@H](CF)C3)c2)c1 ZINC000414471668 270047039 /nfs/dbraw/zinc/04/70/39/270047039.db2.gz QCETVMWBPACTHT-FQEVSTJZSA-N 1 2 340.398 3.308 20 30 EGEDLO N#Cc1cccc(COc2cccc(C[N@H+]3CCO[C@@H](CF)C3)c2)c1 ZINC000414471668 270047041 /nfs/dbraw/zinc/04/70/41/270047041.db2.gz QCETVMWBPACTHT-FQEVSTJZSA-N 1 2 340.398 3.308 20 30 EGEDLO Cc1cc(N(C)Cc2cc3c(cc2OC(F)F)OCO3)c(C#N)c[nH+]1 ZINC000425225458 270049055 /nfs/dbraw/zinc/04/90/55/270049055.db2.gz GDQBYEXHRYOVBG-UHFFFAOYSA-N 1 2 347.321 3.228 20 30 EGEDLO Cn1cc[nH+]c1CNC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000432627050 270050819 /nfs/dbraw/zinc/05/08/19/270050819.db2.gz OUSRVHJZSLJFAX-UHFFFAOYSA-N 1 2 347.378 3.406 20 30 EGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(F)cc2C#N)c1C ZINC000177927977 265287530 /nfs/dbraw/zinc/28/75/30/265287530.db2.gz JEGHGGVCCPXWTF-UHFFFAOYSA-N 1 2 342.374 3.382 20 30 EGEDLO CCN(CC)c1ccc(CNc2cc(C#N)ccc2[N+](=O)[O-])c[nH+]1 ZINC000302209453 266121398 /nfs/dbraw/zinc/12/13/98/266121398.db2.gz LRWFWAUKFJMNRO-UHFFFAOYSA-N 1 2 325.372 3.320 20 30 EGEDLO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)c1cccc(C#N)c1 ZINC000189774715 266141018 /nfs/dbraw/zinc/14/10/18/266141018.db2.gz MJXOKTQJLLJNPV-AWEZNQCLSA-N 1 2 332.407 3.378 20 30 EGEDLO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)c1cccc(C#N)c1 ZINC000189774715 266141021 /nfs/dbraw/zinc/14/10/21/266141021.db2.gz MJXOKTQJLLJNPV-AWEZNQCLSA-N 1 2 332.407 3.378 20 30 EGEDLO COc1cc(C[NH2+]Cc2nc(C(F)(F)F)cs2)ccc1C#N ZINC000281804732 266827443 /nfs/dbraw/zinc/82/74/43/266827443.db2.gz VNWBYOKYUCVWOW-UHFFFAOYSA-N 1 2 327.331 3.332 20 30 EGEDLO CC[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccc(Cl)s1 ZINC000521194961 267054759 /nfs/dbraw/zinc/05/47/59/267054759.db2.gz GCPXEOGJTNBWDY-UHFFFAOYSA-N 1 2 347.871 3.411 20 30 EGEDLO CC[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccc(Cl)s1 ZINC000521194961 267054761 /nfs/dbraw/zinc/05/47/61/267054761.db2.gz GCPXEOGJTNBWDY-UHFFFAOYSA-N 1 2 347.871 3.411 20 30 EGEDLO CCN(CC)c1ccc(CNC(=O)/C=C\c2ccc(C#N)cc2)c[nH+]1 ZINC000491248116 267061068 /nfs/dbraw/zinc/06/10/68/267061068.db2.gz AKLWTUNHWOCYHP-BENRWUELSA-N 1 2 334.423 3.129 20 30 EGEDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)Cc2ccccc21 ZINC000441117764 267135201 /nfs/dbraw/zinc/13/52/01/267135201.db2.gz RXYOUVWZSNOVIU-SFHVURJKSA-N 1 2 338.382 3.360 20 30 EGEDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)Cc2ccccc21 ZINC000441117764 267135204 /nfs/dbraw/zinc/13/52/04/267135204.db2.gz RXYOUVWZSNOVIU-SFHVURJKSA-N 1 2 338.382 3.360 20 30 EGEDLO CCOc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc1F ZINC000495065613 267171200 /nfs/dbraw/zinc/17/12/00/267171200.db2.gz FNETYGYQDXSVRR-UHFFFAOYSA-N 1 2 339.414 3.418 20 30 EGEDLO C[C@H]1CCN(c2nc3cc(Cl)ccn3c2C#N)C[C@H]1n1cc[nH+]c1 ZINC000287844613 267217889 /nfs/dbraw/zinc/21/78/89/267217889.db2.gz MAJZQZISKZOVCR-SWLSCSKDSA-N 1 2 340.818 3.143 20 30 EGEDLO CCn1cc[nH+]c1/C=C\C(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000493147599 267255719 /nfs/dbraw/zinc/25/57/19/267255719.db2.gz IFSAURWMKZGVPO-KTKRTIGZSA-N 1 2 336.439 3.473 20 30 EGEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425588888 267258043 /nfs/dbraw/zinc/25/80/43/267258043.db2.gz PAACCUDDPDSREH-UONOGXRCSA-N 1 2 325.416 3.238 20 30 EGEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000494102470 267276170 /nfs/dbraw/zinc/27/61/70/267276170.db2.gz SFNNCTLDNIDUNL-OAHLLOKOSA-N 1 2 333.407 3.139 20 30 EGEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000494102470 267276174 /nfs/dbraw/zinc/27/61/74/267276174.db2.gz SFNNCTLDNIDUNL-OAHLLOKOSA-N 1 2 333.407 3.139 20 30 EGEDLO Cc1cc(C#N)cc(NC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000332688998 267304865 /nfs/dbraw/zinc/30/48/65/267304865.db2.gz WCLMXIWPWSLZJO-UHFFFAOYSA-N 1 2 337.427 3.314 20 30 EGEDLO N#Cc1ccc(-c2nnc(COc3cccc(-n4cc[nH+]c4)c3)o2)cc1 ZINC000173464851 268028902 /nfs/dbraw/zinc/02/89/02/268028902.db2.gz VXBAWZQZIRNDIU-UHFFFAOYSA-N 1 2 343.346 3.373 20 30 EGEDLO Cc1cccc(C)c1-n1nnnc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425533146 268049745 /nfs/dbraw/zinc/04/97/45/268049745.db2.gz KLOINKPEQSJSBJ-INIZCTEOSA-N 1 2 346.438 3.344 20 30 EGEDLO Cc1cccc(C)c1-n1nnnc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425533146 268049748 /nfs/dbraw/zinc/04/97/48/268049748.db2.gz KLOINKPEQSJSBJ-INIZCTEOSA-N 1 2 346.438 3.344 20 30 EGEDLO Cc1[nH+]c2cc(NC(=O)c3cccc(C#N)c3C)ccc2n1[C@H](C)CO ZINC000456706002 268079080 /nfs/dbraw/zinc/07/90/80/268079080.db2.gz UPUXIPYRHDAONA-GFCCVEGCSA-N 1 2 348.406 3.330 20 30 EGEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC=C(C(F)(F)F)CC3)C2=O)cc1 ZINC000272461199 268113886 /nfs/dbraw/zinc/11/38/86/268113886.db2.gz KLNAIOQWUJIRLB-INIZCTEOSA-N 1 2 349.356 3.248 20 30 EGEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CC=C(C(F)(F)F)CC3)C2=O)cc1 ZINC000272461199 268113891 /nfs/dbraw/zinc/11/38/91/268113891.db2.gz KLNAIOQWUJIRLB-INIZCTEOSA-N 1 2 349.356 3.248 20 30 EGEDLO N#Cc1c(F)cccc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000427920504 268162584 /nfs/dbraw/zinc/16/25/84/268162584.db2.gz BNSLZDLICAOTFO-UHFFFAOYSA-N 1 2 340.402 3.226 20 30 EGEDLO N#Cc1cccc(C2([NH2+]Cc3nc(Cc4cccc(F)c4)no3)CC2)c1 ZINC000278921527 268241242 /nfs/dbraw/zinc/24/12/42/268241242.db2.gz UWNRKEVTCHXBOW-UHFFFAOYSA-N 1 2 348.381 3.450 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420940353 268306337 /nfs/dbraw/zinc/30/63/37/268306337.db2.gz DGEOZXPEZUKXDT-JTQLQIEISA-N 1 2 331.363 3.223 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420940353 268306339 /nfs/dbraw/zinc/30/63/39/268306339.db2.gz DGEOZXPEZUKXDT-JTQLQIEISA-N 1 2 331.363 3.223 20 30 EGEDLO N#Cc1ccc(CC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000278967262 275291918 /nfs/dbraw/zinc/29/19/18/275291918.db2.gz OAUKFIHTEPKAOK-UHFFFAOYSA-N 1 2 348.450 3.040 20 30 EGEDLO N#Cc1cccc(OCC[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC000066847690 307363367 /nfs/dbraw/zinc/36/33/67/307363367.db2.gz JEKPOIGDPJQSMJ-IBGZPJMESA-N 1 2 326.371 3.150 20 30 EGEDLO N#Cc1cccc(OCC[N@H+]2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC000066847690 307363369 /nfs/dbraw/zinc/36/33/69/307363369.db2.gz JEKPOIGDPJQSMJ-IBGZPJMESA-N 1 2 326.371 3.150 20 30 EGEDLO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3ccc(C)[nH+]c3C)C2)n1 ZINC000119038437 307490015 /nfs/dbraw/zinc/49/00/15/307490015.db2.gz SGEUQPPFBQTQLM-KRWDZBQOSA-N 1 2 349.438 3.129 20 30 EGEDLO CC(C)([NH2+]Cc1ccc(F)cc1C#N)C(=O)NCC1CCCCC1 ZINC000155325066 307812060 /nfs/dbraw/zinc/81/20/60/307812060.db2.gz PDKZNLOZPREBSP-UHFFFAOYSA-N 1 2 331.435 3.262 20 30 EGEDLO COC(=O)c1cccc(C[NH2+]C(C)(C)c2ccccc2OC)c1C#N ZINC000535962070 314085561 /nfs/dbraw/zinc/08/55/61/314085561.db2.gz BKSPKICPYZXOLT-UHFFFAOYSA-N 1 2 338.407 3.378 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000080039825 454523776 /nfs/dbraw/zinc/52/37/76/454523776.db2.gz MTSLKQXVTSMNSN-GFCCVEGCSA-N 1 2 342.270 3.433 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000080039825 454523783 /nfs/dbraw/zinc/52/37/83/454523783.db2.gz MTSLKQXVTSMNSN-GFCCVEGCSA-N 1 2 342.270 3.433 20 30 EGEDLO CCOC(=O)c1sc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)nc1C ZINC000570525581 317069050 /nfs/dbraw/zinc/06/90/50/317069050.db2.gz QJOFTURIEUFFJH-SNVBAGLBSA-N 1 2 335.454 3.412 20 30 EGEDLO C=C(Br)CNc1cc(NCC(=C)Br)[nH+]cn1 ZINC000302262067 456328858 /nfs/dbraw/zinc/32/88/58/456328858.db2.gz CZBZPVPCQZGDNJ-UHFFFAOYSA-N 1 2 348.042 3.118 20 30 EGEDLO N#Cc1cnn2cc(C[N@@H+](Cc3ccc(F)cc3F)C3CC3)cnc12 ZINC000579834928 325165072 /nfs/dbraw/zinc/16/50/72/325165072.db2.gz DVMFSVDWELZCDA-UHFFFAOYSA-N 1 2 339.349 3.044 20 30 EGEDLO N#Cc1cnn2cc(C[N@H+](Cc3ccc(F)cc3F)C3CC3)cnc12 ZINC000579834928 325165075 /nfs/dbraw/zinc/16/50/75/325165075.db2.gz DVMFSVDWELZCDA-UHFFFAOYSA-N 1 2 339.349 3.044 20 30 EGEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000292099975 456855029 /nfs/dbraw/zinc/85/50/29/456855029.db2.gz GHMWSZKWQXZOLP-ZDUSSCGKSA-N 1 2 329.227 3.135 20 30 EGEDLO C=CC[N@H+](CCC#N)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000292099975 456855036 /nfs/dbraw/zinc/85/50/36/456855036.db2.gz GHMWSZKWQXZOLP-ZDUSSCGKSA-N 1 2 329.227 3.135 20 30 EGEDLO N#CCOc1ccc(C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000264563880 455238381 /nfs/dbraw/zinc/23/83/81/455238381.db2.gz PGZUWAULXHQKIR-IBGZPJMESA-N 1 2 326.371 3.302 20 30 EGEDLO N#CCOc1ccc(C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000264563880 455238383 /nfs/dbraw/zinc/23/83/83/455238383.db2.gz PGZUWAULXHQKIR-IBGZPJMESA-N 1 2 326.371 3.302 20 30 EGEDLO C=CCn1c(SCc2cn3ccccc3[nH+]2)nnc1-c1ccncc1 ZINC000006105729 452921256 /nfs/dbraw/zinc/92/12/56/452921256.db2.gz GIPWPQJYMPVTMF-UHFFFAOYSA-N 1 2 348.435 3.466 20 30 EGEDLO Cc1cc(C)cc(OCCN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000022781806 453699350 /nfs/dbraw/zinc/69/93/50/453699350.db2.gz BEMUEAXFLLAMNJ-UHFFFAOYSA-N 1 2 349.478 3.372 20 30 EGEDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000023666615 453714779 /nfs/dbraw/zinc/71/47/79/453714779.db2.gz UMOBHYIRYKBLOO-LBPRGKRZSA-N 1 2 329.350 3.468 20 30 EGEDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000023666615 453714783 /nfs/dbraw/zinc/71/47/83/453714783.db2.gz UMOBHYIRYKBLOO-LBPRGKRZSA-N 1 2 329.350 3.468 20 30 EGEDLO C=CCOc1ccccc1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000030564073 453836685 /nfs/dbraw/zinc/83/66/85/453836685.db2.gz OPAMOHRJYMTDBJ-UHFFFAOYSA-N 1 2 347.418 3.426 20 30 EGEDLO C#CC[N@@H+](CC(=O)Nc1cccnc1Cl)[C@H]1CCc2ccccc21 ZINC000052845811 453846837 /nfs/dbraw/zinc/84/68/37/453846837.db2.gz LEPPNHHKXYUZQA-KRWDZBQOSA-N 1 2 339.826 3.296 20 30 EGEDLO C#CC[N@H+](CC(=O)Nc1cccnc1Cl)[C@H]1CCc2ccccc21 ZINC000052845811 453846839 /nfs/dbraw/zinc/84/68/39/453846839.db2.gz LEPPNHHKXYUZQA-KRWDZBQOSA-N 1 2 339.826 3.296 20 30 EGEDLO N#Cc1ccccc1OCC[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000066847551 453879640 /nfs/dbraw/zinc/87/96/40/453879640.db2.gz XMIKFSOKKFXIHY-IBGZPJMESA-N 1 2 326.371 3.150 20 30 EGEDLO N#Cc1ccccc1OCC[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000066847551 453879641 /nfs/dbraw/zinc/87/96/41/453879641.db2.gz XMIKFSOKKFXIHY-IBGZPJMESA-N 1 2 326.371 3.150 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000054271972 453919633 /nfs/dbraw/zinc/91/96/33/453919633.db2.gz ATPXJJLXMMPQQP-UHFFFAOYSA-N 1 2 335.407 3.120 20 30 EGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000054271972 453919636 /nfs/dbraw/zinc/91/96/36/453919636.db2.gz ATPXJJLXMMPQQP-UHFFFAOYSA-N 1 2 335.407 3.120 20 30 EGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCCCCn1cc[nH+]c1 ZINC000054538364 453934081 /nfs/dbraw/zinc/93/40/81/453934081.db2.gz YLWMXSFUERJHSK-UHFFFAOYSA-N 1 2 341.415 3.144 20 30 EGEDLO C=CC[N@@H+](CC(=O)N(CC)CCC#N)Cc1ccc(Cl)s1 ZINC000076606414 454019393 /nfs/dbraw/zinc/01/93/93/454019393.db2.gz AROHDENRSCZEGB-UHFFFAOYSA-N 1 2 325.865 3.152 20 30 EGEDLO C=CC[N@H+](CC(=O)N(CC)CCC#N)Cc1ccc(Cl)s1 ZINC000076606414 454019395 /nfs/dbraw/zinc/01/93/95/454019395.db2.gz AROHDENRSCZEGB-UHFFFAOYSA-N 1 2 325.865 3.152 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@H+](Cc1ccco1)Cc1cccs1 ZINC000076652038 454022703 /nfs/dbraw/zinc/02/27/03/454022703.db2.gz NZMCOZZNRAQZFM-UHFFFAOYSA-N 1 2 331.441 3.105 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000076652038 454022704 /nfs/dbraw/zinc/02/27/04/454022704.db2.gz NZMCOZZNRAQZFM-UHFFFAOYSA-N 1 2 331.441 3.105 20 30 EGEDLO C=CC[N@@H+](CC(=O)N1C[C@@H](C)C[C@H](C)C1)Cc1cccc(C#N)c1 ZINC000068827162 454057949 /nfs/dbraw/zinc/05/79/49/454057949.db2.gz JAAVSWJGPQSMFM-IRXDYDNUSA-N 1 2 325.456 3.051 20 30 EGEDLO C=CC[N@H+](CC(=O)N1C[C@@H](C)C[C@H](C)C1)Cc1cccc(C#N)c1 ZINC000068827162 454057952 /nfs/dbraw/zinc/05/79/52/454057952.db2.gz JAAVSWJGPQSMFM-IRXDYDNUSA-N 1 2 325.456 3.051 20 30 EGEDLO COc1c(C)c[nH+]c(CN(C)c2c(C#N)nnc3ccccc32)c1C ZINC000077213863 454076468 /nfs/dbraw/zinc/07/64/68/454076468.db2.gz ZCCDZSQPLPJIHU-UHFFFAOYSA-N 1 2 333.395 3.158 20 30 EGEDLO C[NH+]1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1 ZINC000069131635 454081962 /nfs/dbraw/zinc/08/19/62/454081962.db2.gz AEOPRMPNTZUNHB-UHFFFAOYSA-N 1 2 337.448 3.097 20 30 EGEDLO C=CCCO[C@H](C)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000069355581 454097574 /nfs/dbraw/zinc/09/75/74/454097574.db2.gz WXPDAZWPEYFGMY-YESZJQIVSA-N 1 2 346.471 3.216 20 30 EGEDLO N#CCOc1cccc(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000088361641 454101165 /nfs/dbraw/zinc/10/11/65/454101165.db2.gz LPIULRVYOWVVNP-HNNXBMFYSA-N 1 2 325.372 3.071 20 30 EGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000057372930 454122419 /nfs/dbraw/zinc/12/24/19/454122419.db2.gz BMJMQCYWHZCFSY-UHFFFAOYSA-N 1 2 342.443 3.070 20 30 EGEDLO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1 ZINC000089141050 454123972 /nfs/dbraw/zinc/12/39/72/454123972.db2.gz FWQFJXVFMSBDON-FZKQIMNGSA-N 1 2 326.371 3.337 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCCNc1ncc([N+](=O)[O-])cc1C#N ZINC000070791112 454176495 /nfs/dbraw/zinc/17/64/95/454176495.db2.gz BIZHQFRDJRTDMV-UHFFFAOYSA-N 1 2 336.355 3.022 20 30 EGEDLO N#Cc1ccc(/C=C/C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000058331554 454187562 /nfs/dbraw/zinc/18/75/62/454187562.db2.gz DEXLVGJZZVRXBL-PKNBQFBNSA-N 1 2 346.434 3.273 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000130413852 454195494 /nfs/dbraw/zinc/19/54/94/454195494.db2.gz QCFZLNQDPLANIS-UHFFFAOYSA-N 1 2 328.456 3.108 20 30 EGEDLO C=CCn1c(Cc2ccccc2)nnc1SCCn1cc[nH+]c1 ZINC000160091145 455428622 /nfs/dbraw/zinc/42/86/22/455428622.db2.gz JMIMTBBGYYYMAG-UHFFFAOYSA-N 1 2 325.441 3.044 20 30 EGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)/C=C/c2ccc(C#N)cc2)c1C ZINC000058958388 454247968 /nfs/dbraw/zinc/24/79/68/454247968.db2.gz GZGSJJWECJQVAV-MDZDMXLPSA-N 1 2 335.407 3.251 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120118140 454259691 /nfs/dbraw/zinc/25/96/91/454259691.db2.gz KBSXXHXXZCUKFL-GFCCVEGCSA-N 1 2 330.819 3.009 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120118140 454259694 /nfs/dbraw/zinc/25/96/94/454259694.db2.gz KBSXXHXXZCUKFL-GFCCVEGCSA-N 1 2 330.819 3.009 20 30 EGEDLO COc1ccc(C[N@H+](C)Cc2cscn2)cc1OCCCC#N ZINC000120257319 454278901 /nfs/dbraw/zinc/27/89/01/454278901.db2.gz OMSAACRFNFMLDO-UHFFFAOYSA-N 1 2 331.441 3.466 20 30 EGEDLO COc1ccc(C[N@@H+](C)Cc2cscn2)cc1OCCCC#N ZINC000120257319 454278905 /nfs/dbraw/zinc/27/89/05/454278905.db2.gz OMSAACRFNFMLDO-UHFFFAOYSA-N 1 2 331.441 3.466 20 30 EGEDLO N#Cc1cc(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)ccc1F ZINC000121140313 454397715 /nfs/dbraw/zinc/39/77/15/454397715.db2.gz ZFZDVBXSMZRAHE-UHFFFAOYSA-N 1 2 344.821 3.064 20 30 EGEDLO CC(C)OC(=O)Cc1nc(C[N@H+](C)Cc2ccc(C#N)cc2)cs1 ZINC000063741300 454443568 /nfs/dbraw/zinc/44/35/68/454443568.db2.gz DTSBPMSBLFGABV-UHFFFAOYSA-N 1 2 343.452 3.141 20 30 EGEDLO CC(C)OC(=O)Cc1nc(C[N@@H+](C)Cc2ccc(C#N)cc2)cs1 ZINC000063741300 454443572 /nfs/dbraw/zinc/44/35/72/454443572.db2.gz DTSBPMSBLFGABV-UHFFFAOYSA-N 1 2 343.452 3.141 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000073622317 454458443 /nfs/dbraw/zinc/45/84/43/454458443.db2.gz PPCPCRSUXGVKMW-GFCCVEGCSA-N 1 2 348.497 3.124 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCc3ccccc3[C@H]2CO)c1C ZINC000133887827 454480421 /nfs/dbraw/zinc/48/04/21/454480421.db2.gz OAIOGMUCEFBNCO-HXUWFJFHSA-N 1 2 338.451 3.065 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCc3ccccc3[C@H]2CO)c1C ZINC000133887827 454480424 /nfs/dbraw/zinc/48/04/24/454480424.db2.gz OAIOGMUCEFBNCO-HXUWFJFHSA-N 1 2 338.451 3.065 20 30 EGEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CC=C(c2ccccc2Cl)CC1)C1CC1 ZINC000091843738 454480647 /nfs/dbraw/zinc/48/06/47/454480647.db2.gz QYBMPXDDGGTVEE-IBGZPJMESA-N 1 2 343.858 3.238 20 30 EGEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CC=C(c2ccccc2Cl)CC1)C1CC1 ZINC000091843738 454480649 /nfs/dbraw/zinc/48/06/49/454480649.db2.gz QYBMPXDDGGTVEE-IBGZPJMESA-N 1 2 343.858 3.238 20 30 EGEDLO C=C(C)COc1cc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)ccc1OC ZINC000091928825 454489942 /nfs/dbraw/zinc/48/99/42/454489942.db2.gz HDUZWESDJANPFR-ICSRJNTNSA-N 1 2 347.455 3.030 20 30 EGEDLO C=C(C)COc1cc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)ccc1OC ZINC000091928825 454489946 /nfs/dbraw/zinc/48/99/46/454489946.db2.gz HDUZWESDJANPFR-ICSRJNTNSA-N 1 2 347.455 3.030 20 30 EGEDLO C=CCCC(=O)N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000102323233 454499813 /nfs/dbraw/zinc/49/98/13/454499813.db2.gz KFBZGRRDGHMSMZ-UHFFFAOYSA-N 1 2 326.362 3.316 20 30 EGEDLO C#CC[N@H+](Cc1ccc(-c2ccccc2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000092193863 454535093 /nfs/dbraw/zinc/53/50/93/454535093.db2.gz KSAKFNIJFDKMHX-MRXNPFEDSA-N 1 2 345.489 3.037 20 30 EGEDLO C#CC[N@@H+](Cc1ccc(-c2ccccc2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000092193863 454535100 /nfs/dbraw/zinc/53/51/00/454535100.db2.gz KSAKFNIJFDKMHX-MRXNPFEDSA-N 1 2 345.489 3.037 20 30 EGEDLO C#CCOc1ccccc1C[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000123318108 454624543 /nfs/dbraw/zinc/62/45/43/454624543.db2.gz MADFQFJYFHRYQU-UHFFFAOYSA-N 1 2 326.343 3.464 20 30 EGEDLO COCC[N@H+](Cc1nc(-c2ccccc2)no1)Cc1ccc(C#N)cc1 ZINC000123421096 454635142 /nfs/dbraw/zinc/63/51/42/454635142.db2.gz WMHFZLCYFXQXBF-UHFFFAOYSA-N 1 2 348.406 3.257 20 30 EGEDLO COCC[N@@H+](Cc1nc(-c2ccccc2)no1)Cc1ccc(C#N)cc1 ZINC000123421096 454635145 /nfs/dbraw/zinc/63/51/45/454635145.db2.gz WMHFZLCYFXQXBF-UHFFFAOYSA-N 1 2 348.406 3.257 20 30 EGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000080906024 454645756 /nfs/dbraw/zinc/64/57/56/454645756.db2.gz QLUMPARCBNCVRM-IBGZPJMESA-N 1 2 327.378 3.347 20 30 EGEDLO C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000123702335 454667357 /nfs/dbraw/zinc/66/73/57/454667357.db2.gz QRCGFWNXKZJQFF-HNNXBMFYSA-N 1 2 345.443 3.030 20 30 EGEDLO COc1cc(C[N@H+](CCC#N)CC(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000093101185 454681888 /nfs/dbraw/zinc/68/18/88/454681888.db2.gz CXUZCVLCCGKAOD-UHFFFAOYSA-N 1 2 335.404 3.374 20 30 EGEDLO COc1cc(C[N@@H+](CCC#N)CC(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000093101185 454681891 /nfs/dbraw/zinc/68/18/91/454681891.db2.gz CXUZCVLCCGKAOD-UHFFFAOYSA-N 1 2 335.404 3.374 20 30 EGEDLO C=CCCO[C@H](C)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000066320470 454683969 /nfs/dbraw/zinc/68/39/69/454683969.db2.gz SPCINFJWRHEXLP-UONOGXRCSA-N 1 2 337.489 3.295 20 30 EGEDLO C=CCCO[C@H](C)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000066320470 454683973 /nfs/dbraw/zinc/68/39/73/454683973.db2.gz SPCINFJWRHEXLP-UONOGXRCSA-N 1 2 337.489 3.295 20 30 EGEDLO CSc1ccccc1NC(=O)C[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000152762698 454722204 /nfs/dbraw/zinc/72/22/04/454722204.db2.gz LPBADYLBBGKXCX-UHFFFAOYSA-N 1 2 342.439 3.470 20 30 EGEDLO CSc1ccccc1NC(=O)C[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000152762698 454722207 /nfs/dbraw/zinc/72/22/07/454722207.db2.gz LPBADYLBBGKXCX-UHFFFAOYSA-N 1 2 342.439 3.470 20 30 EGEDLO Cc1c[nH+]ccc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000107291873 454749395 /nfs/dbraw/zinc/74/93/95/454749395.db2.gz XMPQZQNESABQKG-UHFFFAOYSA-N 1 2 326.425 3.313 20 30 EGEDLO CC[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@H](C)C#N ZINC000162239232 454761797 /nfs/dbraw/zinc/76/17/97/454761797.db2.gz JWYRHBOLSJKSME-SNVBAGLBSA-N 1 2 326.194 3.339 20 30 EGEDLO CC[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@H](C)C#N ZINC000162239232 454761799 /nfs/dbraw/zinc/76/17/99/454761799.db2.gz JWYRHBOLSJKSME-SNVBAGLBSA-N 1 2 326.194 3.339 20 30 EGEDLO C=CC[C@H](C)NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000176864295 454792846 /nfs/dbraw/zinc/79/28/46/454792846.db2.gz HGUUNXPGRZCPNZ-INIZCTEOSA-N 1 2 330.476 3.294 20 30 EGEDLO CO[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000108366085 454795238 /nfs/dbraw/zinc/79/52/38/454795238.db2.gz CUYBJEPOWMLLDF-CABCVRRESA-N 1 2 347.484 3.130 20 30 EGEDLO CO[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000108366085 454795240 /nfs/dbraw/zinc/79/52/40/454795240.db2.gz CUYBJEPOWMLLDF-CABCVRRESA-N 1 2 347.484 3.130 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCOC2(CCCC2)C1 ZINC000139711094 454810258 /nfs/dbraw/zinc/81/02/58/454810258.db2.gz BWAVSSAQNYFLDG-CYBMUJFWSA-N 1 2 347.846 3.184 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCOC2(CCCC2)C1 ZINC000139711094 454810264 /nfs/dbraw/zinc/81/02/64/454810264.db2.gz BWAVSSAQNYFLDG-CYBMUJFWSA-N 1 2 347.846 3.184 20 30 EGEDLO N#C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1F ZINC000108799062 454812256 /nfs/dbraw/zinc/81/22/56/454812256.db2.gz KSOGXZGYUPIWAP-GOSISDBHSA-N 1 2 334.354 3.065 20 30 EGEDLO N#C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1F ZINC000108799064 454812964 /nfs/dbraw/zinc/81/29/64/454812964.db2.gz KSOGXZGYUPIWAP-SFHVURJKSA-N 1 2 334.354 3.065 20 30 EGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000109811859 454838065 /nfs/dbraw/zinc/83/80/65/454838065.db2.gz VFTXZMGHGQMMAH-UHFFFAOYSA-N 1 2 332.835 3.110 20 30 EGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000109811859 454838068 /nfs/dbraw/zinc/83/80/68/454838068.db2.gz VFTXZMGHGQMMAH-UHFFFAOYSA-N 1 2 332.835 3.110 20 30 EGEDLO CCCO[C@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000246306967 455467851 /nfs/dbraw/zinc/46/78/51/455467851.db2.gz CFYINACOMSCDKK-ZWKOTPCHSA-N 1 2 330.428 3.053 20 30 EGEDLO CCCO[C@H]1CCC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000246306967 455467856 /nfs/dbraw/zinc/46/78/56/455467856.db2.gz CFYINACOMSCDKK-ZWKOTPCHSA-N 1 2 330.428 3.053 20 30 EGEDLO COCCOCC[N@H+](Cc1ccccc1)Cc1ccc(F)cc1C#N ZINC000155454455 455003721 /nfs/dbraw/zinc/00/37/21/455003721.db2.gz QZPQSUSXEJJKNR-UHFFFAOYSA-N 1 2 342.414 3.363 20 30 EGEDLO COCCOCC[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1C#N ZINC000155454455 455003725 /nfs/dbraw/zinc/00/37/25/455003725.db2.gz QZPQSUSXEJJKNR-UHFFFAOYSA-N 1 2 342.414 3.363 20 30 EGEDLO N#CC1(NC(=O)C[N@@H+]2CCSC[C@H]2c2ccccc2)CCCCC1 ZINC000115561320 455021422 /nfs/dbraw/zinc/02/14/22/455021422.db2.gz KPQBODZIPREZCZ-KRWDZBQOSA-N 1 2 343.496 3.119 20 30 EGEDLO N#CC1(NC(=O)C[N@H+]2CCSC[C@H]2c2ccccc2)CCCCC1 ZINC000115561320 455021425 /nfs/dbraw/zinc/02/14/25/455021425.db2.gz KPQBODZIPREZCZ-KRWDZBQOSA-N 1 2 343.496 3.119 20 30 EGEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1nnc(-c2ccccc2)s1 ZINC000128079316 455024575 /nfs/dbraw/zinc/02/45/75/455024575.db2.gz CSRKGKGFDZUNPL-LBPRGKRZSA-N 1 2 334.445 3.055 20 30 EGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179506673 455054194 /nfs/dbraw/zinc/05/41/94/455054194.db2.gz XFFZPQCDRBJSQH-AWEZNQCLSA-N 1 2 325.391 3.072 20 30 EGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179506673 455054198 /nfs/dbraw/zinc/05/41/98/455054198.db2.gz XFFZPQCDRBJSQH-AWEZNQCLSA-N 1 2 325.391 3.072 20 30 EGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179506673 455054201 /nfs/dbraw/zinc/05/42/01/455054201.db2.gz XFFZPQCDRBJSQH-AWEZNQCLSA-N 1 2 325.391 3.072 20 30 EGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179506673 455054205 /nfs/dbraw/zinc/05/42/05/455054205.db2.gz XFFZPQCDRBJSQH-AWEZNQCLSA-N 1 2 325.391 3.072 20 30 EGEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C)[nH+]c1C ZINC000152222805 455089398 /nfs/dbraw/zinc/08/93/98/455089398.db2.gz DXFLTJBGMFOFFA-UHFFFAOYSA-N 1 2 338.411 3.251 20 30 EGEDLO CC(C)(C#N)CC[NH2+][C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000129768595 455125437 /nfs/dbraw/zinc/12/54/37/455125437.db2.gz SVDOAZWZNBUXNS-ZDUSSCGKSA-N 1 2 337.349 3.442 20 30 EGEDLO C=CCCC[C@H](C)NC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000180416518 455165599 /nfs/dbraw/zinc/16/55/99/455165599.db2.gz CGTLRXCLBQXBMX-PKOBYXMFSA-N 1 2 345.487 3.104 20 30 EGEDLO Cc1cnc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)s1 ZINC000180457922 455173766 /nfs/dbraw/zinc/17/37/66/455173766.db2.gz SXXXZSZVUGEEFI-UHFFFAOYSA-N 1 2 349.463 3.194 20 30 EGEDLO C[C@@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)c1ncc(C(C)(C)C)o1 ZINC000158194405 455279728 /nfs/dbraw/zinc/27/97/28/455279728.db2.gz UHTPDRMFZGRRRN-LLVKDONJSA-N 1 2 329.400 3.305 20 30 EGEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CCS1 ZINC000245436360 455299486 /nfs/dbraw/zinc/29/94/86/455299486.db2.gz DGSQHPDESKIWDW-VXGBXAGGSA-N 1 2 349.525 3.263 20 30 EGEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CCS1 ZINC000245436360 455299489 /nfs/dbraw/zinc/29/94/89/455299489.db2.gz DGSQHPDESKIWDW-VXGBXAGGSA-N 1 2 349.525 3.263 20 30 EGEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000265382275 455315378 /nfs/dbraw/zinc/31/53/78/455315378.db2.gz CYKGBPKKSVFWNN-HNNXBMFYSA-N 1 2 337.398 3.216 20 30 EGEDLO CCCOc1ccc(C[N@H+](CCC#N)Cc2cccnc2)c(O)c1 ZINC000159061738 455348921 /nfs/dbraw/zinc/34/89/21/455348921.db2.gz QUXNQVMXBREQHR-UHFFFAOYSA-N 1 2 325.412 3.492 20 30 EGEDLO C=CCn1c(SCCn2cc[nH+]c2)nnc1-c1ccccc1F ZINC000159552842 455384961 /nfs/dbraw/zinc/38/49/61/455384961.db2.gz IQHZXLHWFWANNN-UHFFFAOYSA-N 1 2 329.404 3.259 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000246265648 455460193 /nfs/dbraw/zinc/46/01/93/455460193.db2.gz AOHHXZFVYNRVDE-ZYSHUDEJSA-N 1 2 345.512 3.219 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000246265648 455460195 /nfs/dbraw/zinc/46/01/95/455460195.db2.gz AOHHXZFVYNRVDE-ZYSHUDEJSA-N 1 2 345.512 3.219 20 30 EGEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184868005 455464255 /nfs/dbraw/zinc/46/42/55/455464255.db2.gz SJQNVNHANQQDMO-HNNXBMFYSA-N 1 2 325.412 3.193 20 30 EGEDLO Cc1nc2ccccn2c1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000160521421 455469208 /nfs/dbraw/zinc/46/92/08/455469208.db2.gz MPIVQDBYPGCBRW-IBGZPJMESA-N 1 2 345.450 3.025 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccc(OCC)cc3)CC2)CCC1 ZINC000191575920 455498587 /nfs/dbraw/zinc/49/85/87/455498587.db2.gz MCHLWTNCXUEBCY-UHFFFAOYSA-N 1 2 342.483 3.476 20 30 EGEDLO C=C(Br)C[NH2+][C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000185124974 455506594 /nfs/dbraw/zinc/50/65/94/455506594.db2.gz DKTHFBWXBQDOBF-SNVBAGLBSA-N 1 2 338.205 3.304 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c(C#N)c1C ZINC000268034417 455583341 /nfs/dbraw/zinc/58/33/41/455583341.db2.gz NHGIEKKETCBGTJ-OAHLLOKOSA-N 1 2 341.386 3.335 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c(C#N)c1C ZINC000268034417 455583343 /nfs/dbraw/zinc/58/33/43/455583343.db2.gz NHGIEKKETCBGTJ-OAHLLOKOSA-N 1 2 341.386 3.335 20 30 EGEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000185642162 455588920 /nfs/dbraw/zinc/58/89/20/455588920.db2.gz CHUXSKHDYGPVCQ-CQSZACIVSA-N 1 2 341.224 3.027 20 30 EGEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000185642162 455588923 /nfs/dbraw/zinc/58/89/23/455588923.db2.gz CHUXSKHDYGPVCQ-CQSZACIVSA-N 1 2 341.224 3.027 20 30 EGEDLO COCC1=CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000185809768 455626154 /nfs/dbraw/zinc/62/61/54/455626154.db2.gz ROQKJFSSBLLJBL-UHFFFAOYSA-N 1 2 337.423 3.016 20 30 EGEDLO COCC1=CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000185809768 455626160 /nfs/dbraw/zinc/62/61/60/455626160.db2.gz ROQKJFSSBLLJBL-UHFFFAOYSA-N 1 2 337.423 3.016 20 30 EGEDLO C[C@H]1CC[N@H+](CC(=O)NC2(C#N)CCCCC2)[C@@H](c2ccco2)C1 ZINC000247684410 455637377 /nfs/dbraw/zinc/63/73/77/455637377.db2.gz UTOGUVLIPMOQGO-JKSUJKDBSA-N 1 2 329.444 3.395 20 30 EGEDLO C[C@H]1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)[C@@H](c2ccco2)C1 ZINC000247684410 455637380 /nfs/dbraw/zinc/63/73/80/455637380.db2.gz UTOGUVLIPMOQGO-JKSUJKDBSA-N 1 2 329.444 3.395 20 30 EGEDLO C=CC[N@H+](CCC#N)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000292362212 455640911 /nfs/dbraw/zinc/64/09/11/455640911.db2.gz YAJCQKGMUYAPNP-UHFFFAOYSA-N 1 2 342.468 3.229 20 30 EGEDLO C=CC[N@@H+](CCC#N)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000292362212 455640917 /nfs/dbraw/zinc/64/09/17/455640917.db2.gz YAJCQKGMUYAPNP-UHFFFAOYSA-N 1 2 342.468 3.229 20 30 EGEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC(=Cc2ccccc2F)CC1)C1CC1 ZINC000268316464 455648561 /nfs/dbraw/zinc/64/85/61/455648561.db2.gz JHSYEKWSRHOHSU-HXUWFJFHSA-N 1 2 341.430 3.113 20 30 EGEDLO C[C@@H](c1ccccn1)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000277809880 455673986 /nfs/dbraw/zinc/67/39/86/455673986.db2.gz PYPNKAYLCNQTOD-AWEZNQCLSA-N 1 2 326.831 3.490 20 30 EGEDLO Cc1[nH+]c(C(C)C)ccc1Cn1cc(Br)cc(C#N)c1=O ZINC000292563800 455698913 /nfs/dbraw/zinc/69/89/13/455698913.db2.gz DGJUJRJDWHKEIW-UHFFFAOYSA-N 1 2 346.228 3.358 20 30 EGEDLO Cc1noc(C)c1C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000277907809 455704747 /nfs/dbraw/zinc/70/47/47/455704747.db2.gz XCFGDDFFLQYMFC-UHFFFAOYSA-N 1 2 330.819 3.139 20 30 EGEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)CCC2CCCC2)CC1 ZINC000186167589 455708860 /nfs/dbraw/zinc/70/88/60/455708860.db2.gz DPCKGEPFFBIIFZ-UHFFFAOYSA-N 1 2 339.483 3.481 20 30 EGEDLO C=CCC(C)(C)CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000292607004 455711023 /nfs/dbraw/zinc/71/10/23/455711023.db2.gz WOCWRSPLOKRION-UHFFFAOYSA-N 1 2 326.444 3.333 20 30 EGEDLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000271720201 455733968 /nfs/dbraw/zinc/73/39/68/455733968.db2.gz KTNIJFGBLVRUBX-UHFFFAOYSA-N 1 2 341.377 3.047 20 30 EGEDLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000271720201 455733972 /nfs/dbraw/zinc/73/39/72/455733972.db2.gz KTNIJFGBLVRUBX-UHFFFAOYSA-N 1 2 341.377 3.047 20 30 EGEDLO C=C(C)COc1cccc(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)c1 ZINC000193114275 455742868 /nfs/dbraw/zinc/74/28/68/455742868.db2.gz ZDENXRZBWSTSLD-IBGZPJMESA-N 1 2 344.455 3.223 20 30 EGEDLO C=C(C)COc1cccc(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)c1 ZINC000193114275 455742876 /nfs/dbraw/zinc/74/28/76/455742876.db2.gz ZDENXRZBWSTSLD-IBGZPJMESA-N 1 2 344.455 3.223 20 30 EGEDLO CC[N@@H+](Cc1cc2c(c(Br)c1)OCO2)C[C@@H](C)C#N ZINC000193500861 455762673 /nfs/dbraw/zinc/76/26/73/455762673.db2.gz SPGNQCHIZDRYRH-JTQLQIEISA-N 1 2 325.206 3.159 20 30 EGEDLO CC[N@H+](Cc1cc2c(c(Br)c1)OCO2)C[C@@H](C)C#N ZINC000193500861 455762677 /nfs/dbraw/zinc/76/26/77/455762677.db2.gz SPGNQCHIZDRYRH-JTQLQIEISA-N 1 2 325.206 3.159 20 30 EGEDLO C#CCOc1ccc(C[NH2+]Cc2cc(COC(C)(C)C)on2)cc1 ZINC000186412276 455762908 /nfs/dbraw/zinc/76/29/08/455762908.db2.gz LOWXBVNRSZGBJM-UHFFFAOYSA-N 1 2 328.412 3.292 20 30 EGEDLO C=C(C)[C@@H](CC(=O)NCc1ccc(N2CCCCC2)[nH+]c1)OCC ZINC000270007423 455856153 /nfs/dbraw/zinc/85/61/53/455856153.db2.gz DGVKPKPHXITCCB-QGZVFWFLSA-N 1 2 331.460 3.059 20 30 EGEDLO C=C(C)[C@@H](CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)OCC ZINC000270040718 455863605 /nfs/dbraw/zinc/86/36/05/455863605.db2.gz OETPCWFIQATWNH-QGZVFWFLSA-N 1 2 331.460 3.059 20 30 EGEDLO CCn1cc([C@@H](C)[NH2+]Cc2ccc(Br)cc2C#N)cn1 ZINC000296121775 455869426 /nfs/dbraw/zinc/86/94/26/455869426.db2.gz QYNSFMOQTRYNPD-LLVKDONJSA-N 1 2 333.233 3.388 20 30 EGEDLO CCc1nnc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)[nH]1 ZINC000296182019 455874828 /nfs/dbraw/zinc/87/48/28/455874828.db2.gz XWDUOBJKYFBELW-UHFFFAOYSA-N 1 2 347.422 3.108 20 30 EGEDLO Cc1ccc2[nH+]c(CNC(=O)c3ccc(C(C)(C)C#N)cc3)cn2c1 ZINC000280543618 455994646 /nfs/dbraw/zinc/99/46/46/455994646.db2.gz JLVISPQYTBIMRU-UHFFFAOYSA-N 1 2 332.407 3.374 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286258189 456010261 /nfs/dbraw/zinc/01/02/61/456010261.db2.gz AWIRGONDZRLYGB-OCCSQVGLSA-N 1 2 332.753 3.204 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286258189 456010270 /nfs/dbraw/zinc/01/02/70/456010270.db2.gz AWIRGONDZRLYGB-OCCSQVGLSA-N 1 2 332.753 3.204 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000286258181 456010343 /nfs/dbraw/zinc/01/03/43/456010343.db2.gz AWIRGONDZRLYGB-JSGCOSHPSA-N 1 2 332.753 3.204 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000286258181 456010348 /nfs/dbraw/zinc/01/03/48/456010348.db2.gz AWIRGONDZRLYGB-JSGCOSHPSA-N 1 2 332.753 3.204 20 30 EGEDLO C[C@H](c1cccnc1)[NH+]1CCN(c2nc3c(cc2C#N)CCCC3)CC1 ZINC000270986266 456087683 /nfs/dbraw/zinc/08/76/83/456087683.db2.gz SYDAFSPPCHSFGQ-MRXNPFEDSA-N 1 2 347.466 3.110 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2c2nc(C)no2)cc1OC ZINC000289739036 456139349 /nfs/dbraw/zinc/13/93/49/456139349.db2.gz IKRRHCVCPWWJSV-HNNXBMFYSA-N 1 2 329.400 3.289 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CCC[C@H]2c2nc(C)no2)cc1OC ZINC000289739036 456139356 /nfs/dbraw/zinc/13/93/56/456139356.db2.gz IKRRHCVCPWWJSV-HNNXBMFYSA-N 1 2 329.400 3.289 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(C(F)(F)F)ccc2F)C1=O ZINC000281147632 456147055 /nfs/dbraw/zinc/14/70/55/456147055.db2.gz FFJYDKGGUVGJSQ-CQSZACIVSA-N 1 2 330.325 3.063 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(C(F)(F)F)ccc2F)C1=O ZINC000281147632 456147061 /nfs/dbraw/zinc/14/70/61/456147061.db2.gz FFJYDKGGUVGJSQ-CQSZACIVSA-N 1 2 330.325 3.063 20 30 EGEDLO COC(=O)COc1ccc([NH2+]CCCC2(C#N)CCOCC2)c(C)c1 ZINC000281182913 456155791 /nfs/dbraw/zinc/15/57/91/456155791.db2.gz LXHRADZMTQEYFP-UHFFFAOYSA-N 1 2 346.427 3.059 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)c2ncc(-c3ccccc3)o2)C1=O ZINC000281375339 456217091 /nfs/dbraw/zinc/21/70/91/456217091.db2.gz OTUYWNKXMPJRJU-GOEBONIOSA-N 1 2 325.412 3.121 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)c2ncc(-c3ccccc3)o2)C1=O ZINC000281375339 456217099 /nfs/dbraw/zinc/21/70/99/456217099.db2.gz OTUYWNKXMPJRJU-GOEBONIOSA-N 1 2 325.412 3.121 20 30 EGEDLO N#CCCC[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000273244178 456221116 /nfs/dbraw/zinc/22/11/16/456221116.db2.gz ZHGPCZMKCPJVFO-UHFFFAOYSA-N 1 2 348.038 3.311 20 30 EGEDLO CCCCCCCOc1ccc(C[NH2+]Cc2cc(C(N)=O)no2)cc1 ZINC000273353618 456224388 /nfs/dbraw/zinc/22/43/88/456224388.db2.gz BOHLYAILENNRGM-UHFFFAOYSA-N 1 2 345.443 3.413 20 30 EGEDLO COc1cc[nH+]cc1CNC(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000297538757 456245564 /nfs/dbraw/zinc/24/55/64/456245564.db2.gz YPXTXNWRLDJNTD-UHFFFAOYSA-N 1 2 338.411 3.082 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000273920561 456247755 /nfs/dbraw/zinc/24/77/55/456247755.db2.gz ZMVFSLXJEYLDOD-NSHDSACASA-N 1 2 343.330 3.029 20 30 EGEDLO CN(C(=O)c1ccc(F)c(C#N)c1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352782639 456301904 /nfs/dbraw/zinc/30/19/04/456301904.db2.gz JGURPFSZKMSPDD-QGZVFWFLSA-N 1 2 334.354 3.282 20 30 EGEDLO COc1ccc(C[NH+]2CCN(c3cccc(F)c3F)CC2)cc1C#N ZINC000340195649 456307333 /nfs/dbraw/zinc/30/73/33/456307333.db2.gz BVNKBSICBLCDTR-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)N(C)CC1CCCCC1)Cc1ccc(CO)o1 ZINC000352815410 456331467 /nfs/dbraw/zinc/33/14/67/456331467.db2.gz LRJFWSHYJHGBSI-UHFFFAOYSA-N 1 2 348.487 3.189 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)N(C)CC1CCCCC1)Cc1ccc(CO)o1 ZINC000352815410 456331472 /nfs/dbraw/zinc/33/14/72/456331472.db2.gz LRJFWSHYJHGBSI-UHFFFAOYSA-N 1 2 348.487 3.189 20 30 EGEDLO COc1cccc2c(N3CCN(c4ccccc4C#N)CC3)cc[nH+]c12 ZINC000302417171 456341729 /nfs/dbraw/zinc/34/17/29/456341729.db2.gz IBPIOPSAFIPGCO-UHFFFAOYSA-N 1 2 344.418 3.442 20 30 EGEDLO Cc1cc(F)cc2c1C[N@@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000337452269 456353679 /nfs/dbraw/zinc/35/36/79/456353679.db2.gz LFHWVIIHXKAQEF-FQEVSTJZSA-N 1 2 349.409 3.169 20 30 EGEDLO Cc1cc(F)cc2c1C[N@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000337452269 456353683 /nfs/dbraw/zinc/35/36/83/456353683.db2.gz LFHWVIIHXKAQEF-FQEVSTJZSA-N 1 2 349.409 3.169 20 30 EGEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000298260598 456408284 /nfs/dbraw/zinc/40/82/84/456408284.db2.gz VNTDVURFIUWTTR-GFCCVEGCSA-N 1 2 340.254 3.443 20 30 EGEDLO CO[C@H](CO[NH+]=C(N)Cc1csc(C)n1)c1ccc(Cl)cc1 ZINC000282230434 456450242 /nfs/dbraw/zinc/45/02/42/456450242.db2.gz LBNRRFJEOALNQZ-CQSZACIVSA-N 1 2 339.848 3.324 20 30 EGEDLO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2Br)C[C@H](C2CC2)O1 ZINC000348205139 456536203 /nfs/dbraw/zinc/53/62/03/456536203.db2.gz IXWZYPMIJTVKKU-MEDUHNTESA-N 1 2 335.245 3.320 20 30 EGEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)C[C@H](C2CC2)O1 ZINC000348205139 456536207 /nfs/dbraw/zinc/53/62/07/456536207.db2.gz IXWZYPMIJTVKKU-MEDUHNTESA-N 1 2 335.245 3.320 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000337889816 456589109 /nfs/dbraw/zinc/58/91/09/456589109.db2.gz GQAGXUWSFBRANG-GOSISDBHSA-N 1 2 348.381 3.259 20 30 EGEDLO CC(C)(C)C(=O)N1CC[N@H+](Cc2ccc(F)c(C#N)c2)C(C)(C)C1 ZINC000343434698 456618613 /nfs/dbraw/zinc/61/86/13/456618613.db2.gz XIWAKMMZXXHXIS-UHFFFAOYSA-N 1 2 331.435 3.166 20 30 EGEDLO CC(C)(C)C(=O)N1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C(C)(C)C1 ZINC000343434698 456618617 /nfs/dbraw/zinc/61/86/17/456618617.db2.gz XIWAKMMZXXHXIS-UHFFFAOYSA-N 1 2 331.435 3.166 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000337954812 456620829 /nfs/dbraw/zinc/62/08/29/456620829.db2.gz JAZKUXXFIXCMNB-UHFFFAOYSA-N 1 2 344.418 3.384 20 30 EGEDLO Cc1nc(N(C)Cc2cccc(C#N)c2)c(Br)c(C)[nH+]1 ZINC000322975040 456653072 /nfs/dbraw/zinc/65/30/72/456653072.db2.gz TWBAFBDQJCPJHT-UHFFFAOYSA-N 1 2 331.217 3.364 20 30 EGEDLO Cc1ccc2[nH+]c(COc3ccc(C(=O)N[C@@H](C)CC#N)cc3)cn2c1 ZINC000338066901 456659300 /nfs/dbraw/zinc/65/93/00/456659300.db2.gz PZWQBRXYSBYSNV-HNNXBMFYSA-N 1 2 348.406 3.254 20 30 EGEDLO Cc1c(Cl)cnc(NCc2ccccc2Cn2cc[nH+]c2)c1C#N ZINC000343511419 456670726 /nfs/dbraw/zinc/67/07/26/456670726.db2.gz NSPGTCNJGBHVHK-UHFFFAOYSA-N 1 2 337.814 3.194 20 30 EGEDLO C=CCC(C)(C)c1noc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000340794918 456690234 /nfs/dbraw/zinc/69/02/34/456690234.db2.gz KTGCRBXTEDTQIA-MRXNPFEDSA-N 1 2 327.428 3.497 20 30 EGEDLO C=CCC(C)(C)c1noc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000340794918 456690236 /nfs/dbraw/zinc/69/02/36/456690236.db2.gz KTGCRBXTEDTQIA-MRXNPFEDSA-N 1 2 327.428 3.497 20 30 EGEDLO CCCCCCCCCN(C)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000299513167 456715465 /nfs/dbraw/zinc/71/54/65/456715465.db2.gz OGQGJGBFKRQBJN-UHFFFAOYSA-N 1 2 335.448 3.238 20 30 EGEDLO C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@@H+]1CCOC[C@@H](C)C1 ZINC000328701624 456741125 /nfs/dbraw/zinc/74/11/25/456741125.db2.gz WVCSBYBUSMQMQG-QWRGUYRKSA-N 1 2 337.420 3.380 20 30 EGEDLO C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+]1CCOC[C@@H](C)C1 ZINC000328701624 456741128 /nfs/dbraw/zinc/74/11/28/456741128.db2.gz WVCSBYBUSMQMQG-QWRGUYRKSA-N 1 2 337.420 3.380 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(Oc3ccccc3)o2)C1=O ZINC000343629844 456755652 /nfs/dbraw/zinc/75/56/52/456755652.db2.gz YWZNUJVZYSPXKC-KRWDZBQOSA-N 1 2 326.396 3.291 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(Oc3ccccc3)o2)C1=O ZINC000343629844 456755657 /nfs/dbraw/zinc/75/56/57/456755657.db2.gz YWZNUJVZYSPXKC-KRWDZBQOSA-N 1 2 326.396 3.291 20 30 EGEDLO Cc1nc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)ccc1C#N ZINC000291802456 456762637 /nfs/dbraw/zinc/76/26/37/456762637.db2.gz DXEQZNCPARDKRR-UHFFFAOYSA-N 1 2 343.434 3.264 20 30 EGEDLO C[C@@H]1CCN(C([O-])=[NH+]c2scnc2C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000328908140 456789625 /nfs/dbraw/zinc/78/96/25/456789625.db2.gz CRHHSGKCUGXYEQ-YPMHNXCESA-N 1 2 331.445 3.346 20 30 EGEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000348679022 456814434 /nfs/dbraw/zinc/81/44/34/456814434.db2.gz YQBKCPPRPCIDRR-OAHLLOKOSA-N 1 2 345.406 3.317 20 30 EGEDLO N#Cc1cc(F)ccc1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000301203960 456821938 /nfs/dbraw/zinc/82/19/38/456821938.db2.gz OXIGCLIVROHQAS-LJQANCHMSA-N 1 2 325.387 3.183 20 30 EGEDLO Cc1noc([C@H]2CC[N@H+](CC(=O)Nc3cc(Cl)ccc3F)C2)n1 ZINC000329070978 456827000 /nfs/dbraw/zinc/82/70/00/456827000.db2.gz YSFIMDFUWOYVNK-JTQLQIEISA-N 1 2 338.770 3.248 20 30 EGEDLO Cc1noc([C@H]2CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3F)C2)n1 ZINC000329070978 456827005 /nfs/dbraw/zinc/82/70/05/456827005.db2.gz YSFIMDFUWOYVNK-JTQLQIEISA-N 1 2 338.770 3.248 20 30 EGEDLO O=C(CN1CCCC1=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000329085003 456830720 /nfs/dbraw/zinc/83/07/20/456830720.db2.gz GBWCHPHPABQRNF-UHFFFAOYSA-N 1 2 338.411 3.097 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1csc(C2CC2)n1)C1CCOCC1 ZINC000329101182 456835115 /nfs/dbraw/zinc/83/51/15/456835115.db2.gz ZPZCVEAYHWJPMO-AWEZNQCLSA-N 1 2 346.456 3.227 20 30 EGEDLO O=C(NCC[NH+]1CCOCC1)c1ccccc1NC1CCCCC1 ZINC000329154350 456843702 /nfs/dbraw/zinc/84/37/02/456843702.db2.gz BZWIRZDYHGYVRO-UHFFFAOYSA-N 1 2 331.460 3.068 20 30 EGEDLO C=C(C)Cn1c(C)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000338787306 456858331 /nfs/dbraw/zinc/85/83/31/456858331.db2.gz JTJWRHJZRVSTNH-UHFFFAOYSA-N 1 2 345.878 3.138 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1C[C@@H](C)CC1(C)C)C1CCOCC1 ZINC000329251848 456860865 /nfs/dbraw/zinc/86/08/65/456860865.db2.gz BQWGBGHOVACACZ-GOEBONIOSA-N 1 2 348.491 3.405 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)N1CCC[C@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000344807189 456862586 /nfs/dbraw/zinc/86/25/86/456862586.db2.gz ZIQNMCGVVPFQFQ-IBGZPJMESA-N 1 2 348.450 3.456 20 30 EGEDLO CCc1cc(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)cc(=O)[nH]1 ZINC000329260219 456862810 /nfs/dbraw/zinc/86/28/10/456862810.db2.gz YWUZNEVROFBCHU-AWEZNQCLSA-N 1 2 342.443 3.163 20 30 EGEDLO O=C(Nc1c[nH]nc1-c1nccs1)C1CC[NH+](CC(F)F)CC1 ZINC000329340720 456875378 /nfs/dbraw/zinc/87/53/78/456875378.db2.gz OLPTXLIQSHHJPM-UHFFFAOYSA-N 1 2 341.387 3.098 20 30 EGEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CC(=O)N[C@@H](C)C1 ZINC000329340003 456875691 /nfs/dbraw/zinc/87/56/91/456875691.db2.gz OBZNSVPRNOZJPF-HOCLYGCPSA-N 1 2 345.443 3.170 20 30 EGEDLO Cc1cc(NC(=O)N[C@]2(C)CCCOC2)c[nH+]c1N1CCCC[C@@H]1C ZINC000329359070 456878579 /nfs/dbraw/zinc/87/85/79/456878579.db2.gz XJOVNOLWVCPOJT-HNAYVOBHSA-N 1 2 346.475 3.473 20 30 EGEDLO CCN1CCOC[C@H]1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000329406349 456885664 /nfs/dbraw/zinc/88/56/64/456885664.db2.gz XGRVBZQCQXMRHH-KRWDZBQOSA-N 1 2 342.443 3.071 20 30 EGEDLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCOCC2(CC2)C1 ZINC000329420481 456887441 /nfs/dbraw/zinc/88/74/41/456887441.db2.gz DMAWCKIOYXRUBU-GFCCVEGCSA-N 1 2 338.835 3.438 20 30 EGEDLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCOCC2(CC2)C1 ZINC000329420481 456887442 /nfs/dbraw/zinc/88/74/42/456887442.db2.gz DMAWCKIOYXRUBU-GFCCVEGCSA-N 1 2 338.835 3.438 20 30 EGEDLO CC(=O)Nc1cccc2c1CCCN2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329431869 456889771 /nfs/dbraw/zinc/88/97/71/456889771.db2.gz IPPRULAIJXYJJK-CQSZACIVSA-N 1 2 338.411 3.033 20 30 EGEDLO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1cnc2c(c1)CCCC2 ZINC000329463702 456895153 /nfs/dbraw/zinc/89/51/53/456895153.db2.gz QQWWPZUJZNWESG-UHFFFAOYSA-N 1 2 327.432 3.339 20 30 EGEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@]3(C)CCO[C@@H]3C)cn2c1 ZINC000329723929 456931511 /nfs/dbraw/zinc/93/15/11/456931511.db2.gz CYAVTTVVXNOJQZ-CXAGYDPISA-N 1 2 333.457 3.400 20 30 EGEDLO CC1(C)C[C@H]([NH+]=C([O-])NC[C@@H]2CCc3[nH+]ccn3C2)c2ccccc21 ZINC000329902760 456958458 /nfs/dbraw/zinc/95/84/58/456958458.db2.gz PQYOAJCCLDJZQG-YOEHRIQHSA-N 1 2 338.455 3.372 20 30 EGEDLO N#CCc1ccc(Oc2ccc(C(=O)NCCc3[nH]cc[nH+]3)cc2)cc1 ZINC000345322193 456974999 /nfs/dbraw/zinc/97/49/99/456974999.db2.gz BLAGGXDWQRVIME-UHFFFAOYSA-N 1 2 346.390 3.241 20 30 EGEDLO Cn1c(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)nc2cccc(Cl)c21 ZINC000330024308 456976437 /nfs/dbraw/zinc/97/64/37/456976437.db2.gz AHBNDMNIUZIRBJ-NSHDSACASA-N 1 2 343.818 3.142 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@H]2CCC3(CCCCC3)O2)C1 ZINC000330076803 456981248 /nfs/dbraw/zinc/98/12/48/456981248.db2.gz DWPMDUZHZJKXIS-HZPDHXFCSA-N 1 2 346.475 3.005 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NCc1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000341878730 456983326 /nfs/dbraw/zinc/98/33/26/456983326.db2.gz RXRBQKBGGMGJPW-SFHVURJKSA-N 1 2 338.361 3.449 20 30 EGEDLO CCc1ccc([C@H](C#N)NC(=O)c2ccc3[nH+]c(C)n(C)c3c2)cc1 ZINC000345755337 456992131 /nfs/dbraw/zinc/99/21/31/456992131.db2.gz SNTZBBKGUFPINO-SFHVURJKSA-N 1 2 332.407 3.439 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000345813998 456999155 /nfs/dbraw/zinc/99/91/55/456999155.db2.gz QIMHYSJDPSVZGR-LLVKDONJSA-N 1 2 340.254 3.376 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000345813998 456999156 /nfs/dbraw/zinc/99/91/56/456999156.db2.gz QIMHYSJDPSVZGR-LLVKDONJSA-N 1 2 340.254 3.376 20 30 EGEDLO CCn1c(CCNc2nccc(C#N)c2Cl)[nH+]c2ccccc21 ZINC000341923582 457003689 /nfs/dbraw/zinc/00/36/89/457003689.db2.gz AFFFQESTZFSDCA-UHFFFAOYSA-N 1 2 325.803 3.053 20 30 EGEDLO N#CCCCOc1cccc(C[NH+]2CCN(Cc3ccco3)CC2)c1 ZINC000349656766 457008616 /nfs/dbraw/zinc/00/86/16/457008616.db2.gz ZAQGGVOKRZDHIE-UHFFFAOYSA-N 1 2 339.439 3.280 20 30 EGEDLO N#CCCCOc1cccc(CN2CC[NH+](Cc3ccco3)CC2)c1 ZINC000349656766 457008619 /nfs/dbraw/zinc/00/86/19/457008619.db2.gz ZAQGGVOKRZDHIE-UHFFFAOYSA-N 1 2 339.439 3.280 20 30 EGEDLO CCN1CCN(C(=O)Nc2c(C)cccc2Cl)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330317896 457025520 /nfs/dbraw/zinc/02/55/20/457025520.db2.gz BZIPIZGICDEAOC-CQSZACIVSA-N 1 2 347.850 3.296 20 30 EGEDLO COCC1(C#N)CC[NH+]([C@@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000341980185 457038277 /nfs/dbraw/zinc/03/82/77/457038277.db2.gz CIGLNPPVHHKJAE-AWEZNQCLSA-N 1 2 326.400 3.050 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000341983042 457041984 /nfs/dbraw/zinc/04/19/84/457041984.db2.gz BIYCDDHNTXBHQB-UHFFFAOYSA-N 1 2 341.224 3.340 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2csc(Br)c2)CC1 ZINC000341988657 457044874 /nfs/dbraw/zinc/04/48/74/457044874.db2.gz JRMHNJATGFKKQP-UHFFFAOYSA-N 1 2 329.263 3.263 20 30 EGEDLO CCNc1ccc(C#N)cc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000354077788 457046649 /nfs/dbraw/zinc/04/66/49/457046649.db2.gz IIJLATOCMDBCKV-UHFFFAOYSA-N 1 2 331.379 3.428 20 30 EGEDLO C=C1CC[NH+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)CC1 ZINC000341996495 457049335 /nfs/dbraw/zinc/04/93/35/457049335.db2.gz RBGUHBBCNGHAJU-UHFFFAOYSA-N 1 2 330.325 3.113 20 30 EGEDLO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2COc3cc(F)cc(F)c32)cc1 ZINC000359864452 457135188 /nfs/dbraw/zinc/13/51/88/457135188.db2.gz CKESINCIXSUYBH-MEDUHNTESA-N 1 2 330.334 3.479 20 30 EGEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(F)c(Cl)c1 ZINC000331169781 457142449 /nfs/dbraw/zinc/14/24/49/457142449.db2.gz CJCOYTNMVANGRK-UHFFFAOYSA-N 1 2 337.826 3.254 20 30 EGEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(F)c(Cl)c1 ZINC000331169781 457142455 /nfs/dbraw/zinc/14/24/55/457142455.db2.gz CJCOYTNMVANGRK-UHFFFAOYSA-N 1 2 337.826 3.254 20 30 EGEDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)c(C)c3)CC2)s1 ZINC000362923787 457157740 /nfs/dbraw/zinc/15/77/40/457157740.db2.gz LNUNXKXTFCXRLV-UHFFFAOYSA-N 1 2 339.464 3.195 20 30 EGEDLO N#Cc1nnc2ccccc2c1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000354299348 457181767 /nfs/dbraw/zinc/18/17/67/457181767.db2.gz WXGKTNVVZWOSQV-UHFFFAOYSA-N 1 2 340.390 3.358 20 30 EGEDLO C[N@@H+](Cc1cc(F)c(C(F)(F)F)cc1F)C[C@H](O)C(F)(F)F ZINC000347001493 457194320 /nfs/dbraw/zinc/19/43/20/457194320.db2.gz ALRJFLGGILJRBT-JTQLQIEISA-N 1 2 337.210 3.339 20 30 EGEDLO C[N@H+](Cc1cc(F)c(C(F)(F)F)cc1F)C[C@H](O)C(F)(F)F ZINC000347001493 457194327 /nfs/dbraw/zinc/19/43/27/457194327.db2.gz ALRJFLGGILJRBT-JTQLQIEISA-N 1 2 337.210 3.339 20 30 EGEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccc(-c3ccccc3)o2)C(N)=O)cc1 ZINC000360068390 457235722 /nfs/dbraw/zinc/23/57/22/457235722.db2.gz IGAQNZGUCVYHOH-IBGZPJMESA-N 1 2 331.375 3.134 20 30 EGEDLO Cc1ccc(C(=O)[C@@H](C#N)c2ccncn2)cc1Oc1cc[nH+]cc1 ZINC000354463918 457239549 /nfs/dbraw/zinc/23/95/49/457239549.db2.gz JHFVOSADAGDCTB-INIZCTEOSA-N 1 2 330.347 3.462 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCc2cc(OC)c(Cl)cc2C1 ZINC000339737613 457241027 /nfs/dbraw/zinc/24/10/27/457241027.db2.gz UBNVOISLGFZGDO-CQSZACIVSA-N 1 2 348.874 3.296 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCc2cc(OC)c(Cl)cc2C1 ZINC000339737613 457241033 /nfs/dbraw/zinc/24/10/33/457241033.db2.gz UBNVOISLGFZGDO-CQSZACIVSA-N 1 2 348.874 3.296 20 30 EGEDLO Cn1c(C[NH2+][C@@H]2CCC[C@H]2C#N)nc2ccc(Br)cc21 ZINC000331801911 457254165 /nfs/dbraw/zinc/25/41/65/457254165.db2.gz SFFBZYAWQCYGFM-CMPLNLGQSA-N 1 2 333.233 3.118 20 30 EGEDLO CC#CC[N@H+](C)CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000339766882 457258079 /nfs/dbraw/zinc/25/80/79/457258079.db2.gz VOIPFGXFECQNQP-UHFFFAOYSA-N 1 2 338.373 3.152 20 30 EGEDLO CC#CC[N@@H+](C)CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000339766882 457258085 /nfs/dbraw/zinc/25/80/85/457258085.db2.gz VOIPFGXFECQNQP-UHFFFAOYSA-N 1 2 338.373 3.152 20 30 EGEDLO N#Cc1ccc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1[N+](=O)[O-] ZINC000357189610 457366477 /nfs/dbraw/zinc/36/64/77/457366477.db2.gz PLYFCHWBBXKSFQ-UHFFFAOYSA-N 1 2 337.314 3.403 20 30 EGEDLO COc1ccc(Br)cc1C[NH+]1CCC(F)(C#N)CC1 ZINC000352450728 457377266 /nfs/dbraw/zinc/37/72/66/457377266.db2.gz SHILMAYZFLENTD-UHFFFAOYSA-N 1 2 327.197 3.285 20 30 EGEDLO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+]1CCC(F)(C#N)CC1 ZINC000352458726 457384990 /nfs/dbraw/zinc/38/49/90/457384990.db2.gz OEDXUQPFPMCUHQ-LSDHHAIUSA-N 1 2 329.419 3.070 20 30 EGEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C#N)c1ccccc1F)C2 ZINC000355606200 457395131 /nfs/dbraw/zinc/39/51/31/457395131.db2.gz LPRBHNYXCVGBTB-PXAZEXFGSA-N 1 2 340.402 3.158 20 30 EGEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C#N)c1ccccc1F)CC2 ZINC000355606200 457395136 /nfs/dbraw/zinc/39/51/36/457395136.db2.gz LPRBHNYXCVGBTB-PXAZEXFGSA-N 1 2 340.402 3.158 20 30 EGEDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1cc2cccc(F)c2o1 ZINC000355731798 457408851 /nfs/dbraw/zinc/40/88/51/457408851.db2.gz QRQMFSOUCMXQIY-APPDUMDISA-N 1 2 337.354 3.321 20 30 EGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1ccoc1 ZINC000342627228 457413319 /nfs/dbraw/zinc/41/33/19/457413319.db2.gz BXBGSGONCPHGGK-AWEZNQCLSA-N 1 2 329.375 3.186 20 30 EGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1ccoc1 ZINC000342627228 457413323 /nfs/dbraw/zinc/41/33/23/457413323.db2.gz BXBGSGONCPHGGK-AWEZNQCLSA-N 1 2 329.375 3.186 20 30 EGEDLO Cc1cc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(C#N)cn1 ZINC000425199578 457462407 /nfs/dbraw/zinc/46/24/07/457462407.db2.gz IAXNQMDYFSBKKW-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO Cc1cc(NC2CCC(Oc3ccccc3C#N)CC2)c(C#N)c[nH+]1 ZINC000425226981 457465087 /nfs/dbraw/zinc/46/50/87/457465087.db2.gz NZAYZSJYQFFACP-UHFFFAOYSA-N 1 2 332.407 3.357 20 30 EGEDLO Cc1cc(N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c(C#N)c[nH+]1 ZINC000425269355 457476691 /nfs/dbraw/zinc/47/66/91/457476691.db2.gz QVJYTLZQOPWFMI-OAHLLOKOSA-N 1 2 339.361 3.447 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000364366977 457580743 /nfs/dbraw/zinc/58/07/43/457580743.db2.gz VXJPNBBZODJKJL-CQSZACIVSA-N 1 2 334.847 3.229 20 30 EGEDLO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000366190653 457797902 /nfs/dbraw/zinc/79/79/02/457797902.db2.gz SGQUNDVSBTYSOQ-CQSZACIVSA-N 1 2 347.340 3.016 20 30 EGEDLO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000366190653 457797910 /nfs/dbraw/zinc/79/79/10/457797910.db2.gz SGQUNDVSBTYSOQ-CQSZACIVSA-N 1 2 347.340 3.016 20 30 EGEDLO C=CC[N@@H+](CCOC)Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000361648900 457812694 /nfs/dbraw/zinc/81/26/94/457812694.db2.gz VKSJVLXJKJAMBH-UHFFFAOYSA-N 1 2 341.242 3.209 20 30 EGEDLO C=CC[N@H+](CCOC)Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000361648900 457812703 /nfs/dbraw/zinc/81/27/03/457812703.db2.gz VKSJVLXJKJAMBH-UHFFFAOYSA-N 1 2 341.242 3.209 20 30 EGEDLO O=C([C@H]1Cc2ccccc2C[N@@H+]1CC#Cc1ccccc1)N1CCCC1 ZINC000361691895 457824694 /nfs/dbraw/zinc/82/46/94/457824694.db2.gz HQEXHQITNJZLAU-JOCHJYFZSA-N 1 2 344.458 3.087 20 30 EGEDLO O=C([C@H]1Cc2ccccc2C[N@H+]1CC#Cc1ccccc1)N1CCCC1 ZINC000361691895 457824702 /nfs/dbraw/zinc/82/47/02/457824702.db2.gz HQEXHQITNJZLAU-JOCHJYFZSA-N 1 2 344.458 3.087 20 30 EGEDLO Cn1cc([C@@H]([NH2+]Cc2cccc(C#N)c2F)c2ccc(F)cc2)cn1 ZINC000358178061 457838825 /nfs/dbraw/zinc/83/88/25/457838825.db2.gz CHVXXUHVDXKGNR-IBGZPJMESA-N 1 2 338.361 3.449 20 30 EGEDLO COc1ccc(NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000371330533 457870792 /nfs/dbraw/zinc/87/07/92/457870792.db2.gz VRRGQDIJEUYHNC-UHFFFAOYSA-N 1 2 347.418 3.295 20 30 EGEDLO COc1ccc(NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000371330533 457870800 /nfs/dbraw/zinc/87/08/00/457870800.db2.gz VRRGQDIJEUYHNC-UHFFFAOYSA-N 1 2 347.418 3.295 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)CCO2)c1 ZINC000371463486 457944192 /nfs/dbraw/zinc/94/41/92/457944192.db2.gz IPCPXWUZFPOZEA-SFHVURJKSA-N 1 2 328.799 3.491 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3cc(Cl)ccc3O)CCO2)c1 ZINC000371463486 457944194 /nfs/dbraw/zinc/94/41/94/457944194.db2.gz IPCPXWUZFPOZEA-SFHVURJKSA-N 1 2 328.799 3.491 20 30 EGEDLO CC(C)(C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1cc(F)cc(C#N)c1 ZINC000375685912 458020932 /nfs/dbraw/zinc/02/09/32/458020932.db2.gz WRVRZTFTUAQJHV-KRWDZBQOSA-N 1 2 340.402 3.035 20 30 EGEDLO O=C1C[C@]2(CC[N@@H+](CC#Cc3ccc(F)cc3)C2)Oc2ccccc21 ZINC000411976631 458029478 /nfs/dbraw/zinc/02/94/78/458029478.db2.gz DQDYDNZJYQCVHY-NRFANRHFSA-N 1 2 335.378 3.287 20 30 EGEDLO O=C1C[C@]2(CC[N@H+](CC#Cc3ccc(F)cc3)C2)Oc2ccccc21 ZINC000411976631 458029481 /nfs/dbraw/zinc/02/94/81/458029481.db2.gz DQDYDNZJYQCVHY-NRFANRHFSA-N 1 2 335.378 3.287 20 30 EGEDLO O=C1C[C@@]2(CC[N@@H+](CC#Cc3ccc(F)cc3)C2)Oc2ccccc21 ZINC000411976637 458029550 /nfs/dbraw/zinc/02/95/50/458029550.db2.gz DQDYDNZJYQCVHY-OAQYLSRUSA-N 1 2 335.378 3.287 20 30 EGEDLO O=C1C[C@@]2(CC[N@H+](CC#Cc3ccc(F)cc3)C2)Oc2ccccc21 ZINC000411976637 458029559 /nfs/dbraw/zinc/02/95/59/458029559.db2.gz DQDYDNZJYQCVHY-OAQYLSRUSA-N 1 2 335.378 3.287 20 30 EGEDLO C=CCNc1ncc(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)s1 ZINC000369154831 458104365 /nfs/dbraw/zinc/10/43/65/458104365.db2.gz WEAFOSYFKBTZQV-UHFFFAOYSA-N 1 2 339.424 3.114 20 30 EGEDLO CC(C)CN1CC[N@H+](Cc2cccc(OCCCC#N)c2)[C@@H](C)C1=O ZINC000428457772 458147421 /nfs/dbraw/zinc/14/74/21/458147421.db2.gz KKCNKJUTCZESHA-KRWDZBQOSA-N 1 2 343.471 3.058 20 30 EGEDLO CC(C)CN1CC[N@@H+](Cc2cccc(OCCCC#N)c2)[C@@H](C)C1=O ZINC000428457772 458147425 /nfs/dbraw/zinc/14/74/25/458147425.db2.gz KKCNKJUTCZESHA-KRWDZBQOSA-N 1 2 343.471 3.058 20 30 EGEDLO CN(C(=O)NCC(C)(C)CCC#N)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000458759531 458161974 /nfs/dbraw/zinc/16/19/74/458161974.db2.gz GNTOMDOJWGJLFT-INIZCTEOSA-N 1 2 339.443 3.470 20 30 EGEDLO C#C[C@@H](NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)c1ccc(Cl)cc1F ZINC000376214494 458236896 /nfs/dbraw/zinc/23/68/96/458236896.db2.gz XMEHVYYCQMJESM-TZMCWYRMSA-N 1 2 331.778 3.113 20 30 EGEDLO C#C[C@@H](NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21)c1ccc(Cl)cc1F ZINC000376214494 458236905 /nfs/dbraw/zinc/23/69/05/458236905.db2.gz XMEHVYYCQMJESM-TZMCWYRMSA-N 1 2 331.778 3.113 20 30 EGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000413556220 458303611 /nfs/dbraw/zinc/30/36/11/458303611.db2.gz ZMFLSAZBSRWLNY-ROUUACIJSA-N 1 2 338.455 3.358 20 30 EGEDLO COc1nc(C)cc(C)c1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000376515144 458325605 /nfs/dbraw/zinc/32/56/05/458325605.db2.gz NVGQOGLDKDMEGA-LJQANCHMSA-N 1 2 337.423 3.152 20 30 EGEDLO COc1nc(C)cc(C)c1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000376515144 458325608 /nfs/dbraw/zinc/32/56/08/458325608.db2.gz NVGQOGLDKDMEGA-LJQANCHMSA-N 1 2 337.423 3.152 20 30 EGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(OC)c2oc(C(=O)OC)cc21 ZINC000430094238 458399852 /nfs/dbraw/zinc/39/98/52/458399852.db2.gz IYTDJJWEXHNBHJ-UHFFFAOYSA-N 1 2 328.368 3.130 20 30 EGEDLO C=CC[N@H+](CCC#N)Cc1ccc(OC)c2oc(C(=O)OC)cc21 ZINC000430094238 458399856 /nfs/dbraw/zinc/39/98/56/458399856.db2.gz IYTDJJWEXHNBHJ-UHFFFAOYSA-N 1 2 328.368 3.130 20 30 EGEDLO C[C@@H]1C[C@]1(C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000448953690 458417614 /nfs/dbraw/zinc/41/76/14/458417614.db2.gz ICVRVWRIPUMDKY-CDHAZOANSA-N 1 2 349.837 3.109 20 30 EGEDLO C[C@@H]1C[C@]1(C#N)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000448953690 458417617 /nfs/dbraw/zinc/41/76/17/458417617.db2.gz ICVRVWRIPUMDKY-CDHAZOANSA-N 1 2 349.837 3.109 20 30 EGEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccnn2C2CCCC2)CC1 ZINC000449010783 458418276 /nfs/dbraw/zinc/41/82/76/458418276.db2.gz UWTPRSIEYKXTFY-UHFFFAOYSA-N 1 2 335.455 3.192 20 30 EGEDLO COc1cc(C)c(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc1OC ZINC000459619312 458429031 /nfs/dbraw/zinc/42/90/31/458429031.db2.gz UHPUUYMHJOUOHJ-UHFFFAOYSA-N 1 2 338.407 3.147 20 30 EGEDLO C=CCN1CC[C@@H](N(C)c2[nH+]ccc3cc(C(F)(F)F)ccc32)C1=O ZINC000450500520 458449996 /nfs/dbraw/zinc/44/99/96/458449996.db2.gz NIDWNXYYPYDNCW-OAHLLOKOSA-N 1 2 349.356 3.477 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000437647355 458478424 /nfs/dbraw/zinc/47/84/24/458478424.db2.gz CJCCJZHUQSHRIF-OGECGYFKSA-N 1 2 342.483 3.073 20 30 EGEDLO C[C@H](O)c1ncc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000377621482 458505824 /nfs/dbraw/zinc/50/58/24/458505824.db2.gz XGYVVMFQVYNMBD-JQFCIGGWSA-N 1 2 327.453 3.468 20 30 EGEDLO C[C@H](O)c1ncc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000377621482 458505825 /nfs/dbraw/zinc/50/58/25/458505825.db2.gz XGYVVMFQVYNMBD-JQFCIGGWSA-N 1 2 327.453 3.468 20 30 EGEDLO C=C(C)COc1cc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)ccc1OC ZINC000377694323 458511036 /nfs/dbraw/zinc/51/10/36/458511036.db2.gz ILHPUBQOBZTQSL-ROUUACIJSA-N 1 2 347.455 3.030 20 30 EGEDLO C=C(C)COc1cc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)ccc1OC ZINC000377694323 458511039 /nfs/dbraw/zinc/51/10/39/458511039.db2.gz ILHPUBQOBZTQSL-ROUUACIJSA-N 1 2 347.455 3.030 20 30 EGEDLO C=CCC1(CNC(=O)NCCc2cn3ccccc3[nH+]2)CCCC1 ZINC000454248095 458555860 /nfs/dbraw/zinc/55/58/60/458555860.db2.gz VGJALVVMTNQJHH-UHFFFAOYSA-N 1 2 326.444 3.313 20 30 EGEDLO C=CCOc1ccccc1CNC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000454487598 458563548 /nfs/dbraw/zinc/56/35/48/458563548.db2.gz POEZEEDTRKWTSK-AWEZNQCLSA-N 1 2 328.416 3.028 20 30 EGEDLO C=CCn1cc(C[NH2+][C@H](C)c2cc3cccc(OCC)c3o2)nn1 ZINC000424294509 458606964 /nfs/dbraw/zinc/60/69/64/458606964.db2.gz KUOIQRJXYWSLQB-CYBMUJFWSA-N 1 2 326.400 3.460 20 30 EGEDLO C=CCn1cc(C[NH2+][C@H](CC)c2ccccc2Br)nn1 ZINC000424298887 458607307 /nfs/dbraw/zinc/60/73/07/458607307.db2.gz UJCFFYZMUUZQSM-OAHLLOKOSA-N 1 2 335.249 3.468 20 30 EGEDLO N#Cc1ccccc1N1CC[NH+](Cc2cccc(O)c2Cl)CC1 ZINC000507115612 458752089 /nfs/dbraw/zinc/75/20/89/458752089.db2.gz KTGPFKJROAVAAP-UHFFFAOYSA-N 1 2 327.815 3.239 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000439966662 458771200 /nfs/dbraw/zinc/77/12/00/458771200.db2.gz KUTHJZLWRDAENE-ZIAGYGMSSA-N 1 2 340.452 3.478 20 30 EGEDLO CN(C(=O)C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1ccccc1 ZINC000464823029 458778439 /nfs/dbraw/zinc/77/84/39/458778439.db2.gz OMXAWZBDTMBRFD-WOJBJXKFSA-N 1 2 333.435 3.421 20 30 EGEDLO CN(C(=O)C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1ccccc1 ZINC000464823029 458778447 /nfs/dbraw/zinc/77/84/47/458778447.db2.gz OMXAWZBDTMBRFD-WOJBJXKFSA-N 1 2 333.435 3.421 20 30 EGEDLO C=CCC[C@@H](CO)NC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000456778503 458780275 /nfs/dbraw/zinc/78/02/75/458780275.db2.gz OLWQAVPEASXBNL-INIZCTEOSA-N 1 2 326.396 3.239 20 30 EGEDLO C=CCOc1cc(OC)ccc1C(=O)NCc1c[nH+]c(C)cc1C ZINC000456850118 458800205 /nfs/dbraw/zinc/80/02/05/458800205.db2.gz VXLASVWCGVBZJR-UHFFFAOYSA-N 1 2 326.396 3.202 20 30 EGEDLO CCC1CCC([NH2+]CCOc2cccc(C#N)c2)(C(=O)OC)CC1 ZINC000440918224 458864975 /nfs/dbraw/zinc/86/49/75/458864975.db2.gz BRSVOGABFXZPED-UHFFFAOYSA-N 1 2 330.428 3.039 20 30 EGEDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000532014567 459017769 /nfs/dbraw/zinc/01/77/69/459017769.db2.gz VDGQHCOZQXNUMF-UHFFFAOYSA-N 1 2 343.430 3.445 20 30 EGEDLO CC(C)[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1F ZINC000519907807 459020328 /nfs/dbraw/zinc/02/03/28/459020328.db2.gz GUGJSFOMNIHSQT-UHFFFAOYSA-N 1 2 331.435 3.379 20 30 EGEDLO CC(C)[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1F ZINC000519907807 459020334 /nfs/dbraw/zinc/02/03/34/459020334.db2.gz GUGJSFOMNIHSQT-UHFFFAOYSA-N 1 2 331.435 3.379 20 30 EGEDLO COc1cc(C[N@@H+]2CCN(CC(F)(F)F)CC2(C)C)ccc1C#N ZINC000442853877 459046336 /nfs/dbraw/zinc/04/63/36/459046336.db2.gz MZVJBBASGWPLRR-UHFFFAOYSA-N 1 2 341.377 3.025 20 30 EGEDLO COc1cc(C[N@H+]2CCN(CC(F)(F)F)CC2(C)C)ccc1C#N ZINC000442853877 459046342 /nfs/dbraw/zinc/04/63/42/459046342.db2.gz MZVJBBASGWPLRR-UHFFFAOYSA-N 1 2 341.377 3.025 20 30 EGEDLO COc1ccc(-c2ccc(C[NH2+]CC3(C#N)CC3)o2)c([N+](=O)[O-])c1 ZINC000567175000 459059797 /nfs/dbraw/zinc/05/97/97/459059797.db2.gz RWCRWSIFOFBXPZ-UHFFFAOYSA-N 1 2 327.340 3.257 20 30 EGEDLO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)Cc1nc(C#N)cs1 ZINC000496118238 459074233 /nfs/dbraw/zinc/07/42/33/459074233.db2.gz IIVRESYJQWBNLV-GFCCVEGCSA-N 1 2 342.424 3.164 20 30 EGEDLO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000496118238 459074238 /nfs/dbraw/zinc/07/42/38/459074238.db2.gz IIVRESYJQWBNLV-GFCCVEGCSA-N 1 2 342.424 3.164 20 30 EGEDLO C[C@]1(C#N)CCC[N@H+](Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000590649095 459171252 /nfs/dbraw/zinc/17/12/52/459171252.db2.gz ROVXISGGFAGUAW-GOSISDBHSA-N 1 2 333.863 3.302 20 30 EGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000590649095 459171256 /nfs/dbraw/zinc/17/12/56/459171256.db2.gz ROVXISGGFAGUAW-GOSISDBHSA-N 1 2 333.863 3.302 20 30 EGEDLO C=CCNC(=O)CNc1ccc2c(Cl)c3c([nH+]c2c1)CCCC3 ZINC000558594768 459177754 /nfs/dbraw/zinc/17/77/54/459177754.db2.gz BPSOUIQANFLZCI-UHFFFAOYSA-N 1 2 329.831 3.481 20 30 EGEDLO N#CC1(CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000558663484 459192349 /nfs/dbraw/zinc/19/23/49/459192349.db2.gz WHBGJOANKJOKOO-UHFFFAOYSA-N 1 2 335.411 3.312 20 30 EGEDLO CC(C)(C)C(=O)N1CCC[C@H](C[N@H+](CCC#N)Cc2ccccn2)C1 ZINC000595340243 459280441 /nfs/dbraw/zinc/28/04/41/459280441.db2.gz CPSKDGOPFRBQLB-QGZVFWFLSA-N 1 2 342.487 3.082 20 30 EGEDLO CC(C)(C)C(=O)N1CCC[C@H](C[N@@H+](CCC#N)Cc2ccccn2)C1 ZINC000595340243 459280448 /nfs/dbraw/zinc/28/04/48/459280448.db2.gz CPSKDGOPFRBQLB-QGZVFWFLSA-N 1 2 342.487 3.082 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000595611118 459365176 /nfs/dbraw/zinc/36/51/76/459365176.db2.gz HEAYSZCGGBUHCE-GFCCVEGCSA-N 1 2 325.334 3.270 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000595611118 459365179 /nfs/dbraw/zinc/36/51/79/459365179.db2.gz HEAYSZCGGBUHCE-GFCCVEGCSA-N 1 2 325.334 3.270 20 30 EGEDLO C=CCOc1cccc(C[N@@H+]2CCN(CC(F)(F)F)[C@H](C)C2)c1 ZINC000539903568 459379130 /nfs/dbraw/zinc/37/91/30/459379130.db2.gz PTAXIXOGNXFOEX-CQSZACIVSA-N 1 2 328.378 3.320 20 30 EGEDLO C=CCOc1cccc(C[N@H+]2CCN(CC(F)(F)F)[C@H](C)C2)c1 ZINC000539903568 459379140 /nfs/dbraw/zinc/37/91/40/459379140.db2.gz PTAXIXOGNXFOEX-CQSZACIVSA-N 1 2 328.378 3.320 20 30 EGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000560848928 459401745 /nfs/dbraw/zinc/40/17/45/459401745.db2.gz JMGVZUYUHVIYSQ-MSOLQXFVSA-N 1 2 338.455 3.106 20 30 EGEDLO C[C@@H]1CCC[C@@H](OCCCCCC(=O)N[C@](C)(C#N)C[NH+](C)C)C1 ZINC000582847893 459438906 /nfs/dbraw/zinc/43/89/06/459438906.db2.gz BORKYXQNANMVCZ-ZHALLVOQSA-N 1 2 337.508 3.102 20 30 EGEDLO C[C@@H]1C[NH+](Cc2ccc(C(=O)[C@@H](C#N)c3ccccn3)cc2)C[C@@H](C)O1 ZINC000561975162 459499105 /nfs/dbraw/zinc/49/91/05/459499105.db2.gz JSNZYXNYJDIKBQ-MDZRGWNJSA-N 1 2 349.434 3.181 20 30 EGEDLO N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)cc1 ZINC000525924707 459516667 /nfs/dbraw/zinc/51/66/67/459516667.db2.gz SKBJISFPTKYGSR-QGZVFWFLSA-N 1 2 341.374 3.269 20 30 EGEDLO N#CCCC1CC[NH+]([C@@H]2CCN(c3c(F)cccc3F)C2=O)CC1 ZINC000592135528 459532621 /nfs/dbraw/zinc/53/26/21/459532621.db2.gz SHAXDRQVTOWZHY-MRXNPFEDSA-N 1 2 333.382 3.086 20 30 EGEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc(C)cc1C(=O)OCC ZINC000489491749 459565958 /nfs/dbraw/zinc/56/59/58/459565958.db2.gz CPNDZKOLOJIZGJ-CYBMUJFWSA-N 1 2 336.457 3.212 20 30 EGEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc(C)cc1C(=O)OCC ZINC000489491749 459565965 /nfs/dbraw/zinc/56/59/65/459565965.db2.gz CPNDZKOLOJIZGJ-CYBMUJFWSA-N 1 2 336.457 3.212 20 30 EGEDLO C=C(C)CN(C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000498127348 459569525 /nfs/dbraw/zinc/56/95/25/459569525.db2.gz SWCFOUBQJUIOIM-HNNXBMFYSA-N 1 2 332.835 3.380 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCC1(c2ccccc2)CCCCC1 ZINC000572375280 459580242 /nfs/dbraw/zinc/58/02/42/459580242.db2.gz LVVBWKDOCTWEAP-GOSISDBHSA-N 1 2 327.472 3.287 20 30 EGEDLO Cc1csc(NC(=O)NCCCCNc2cccc[nH+]2)c1C#N ZINC000583880133 459612509 /nfs/dbraw/zinc/61/25/09/459612509.db2.gz OCRLRYNQVDZNNA-UHFFFAOYSA-N 1 2 329.429 3.337 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000527256166 459617040 /nfs/dbraw/zinc/61/70/40/459617040.db2.gz CXCWBHHOEYLXID-INIZCTEOSA-N 1 2 341.377 3.351 20 30 EGEDLO C=CCCC[C@@H](C)NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000543565664 459669554 /nfs/dbraw/zinc/66/95/54/459669554.db2.gz MEJXENLZNRDTJD-OAHLLOKOSA-N 1 2 338.455 3.294 20 30 EGEDLO CC1(C)C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@H]1c1ccncc1 ZINC000596593084 459688963 /nfs/dbraw/zinc/68/89/63/459688963.db2.gz QFRJBULRBMLZTR-OALUTQOASA-N 1 2 346.434 3.142 20 30 EGEDLO CC1(C)C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@H]1c1ccncc1 ZINC000596593084 459688968 /nfs/dbraw/zinc/68/89/68/459688968.db2.gz QFRJBULRBMLZTR-OALUTQOASA-N 1 2 346.434 3.142 20 30 EGEDLO C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1c(Cl)cccc1Cl ZINC000593154353 459790250 /nfs/dbraw/zinc/79/02/50/459790250.db2.gz HVAOYHDYOJPHLA-BMIGLBTASA-N 1 2 328.243 3.057 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000593155718 459790566 /nfs/dbraw/zinc/79/05/66/459790566.db2.gz WLZVNQHCCAHFRA-IBGZPJMESA-N 1 2 341.386 3.192 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CCC(F)(F)C[C@@H]2C)c(C#N)c1C ZINC000528769466 459813784 /nfs/dbraw/zinc/81/37/84/459813784.db2.gz NXOWUBMLDMGUIN-VIFPVBQESA-N 1 2 327.400 3.295 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC(F)(F)C[C@@H]2C)c(C#N)c1C ZINC000528769466 459813787 /nfs/dbraw/zinc/81/37/87/459813787.db2.gz NXOWUBMLDMGUIN-VIFPVBQESA-N 1 2 327.400 3.295 20 30 EGEDLO Cc1cccn2cc(Cc3noc(-c4cccc(CC#N)c4)n3)[nH+]c12 ZINC000545684623 459846574 /nfs/dbraw/zinc/84/65/74/459846574.db2.gz OOFWDQQIRUWKMN-UHFFFAOYSA-N 1 2 329.363 3.350 20 30 EGEDLO N#C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1cccc(Cl)c1Cl ZINC000597181592 459865170 /nfs/dbraw/zinc/86/51/70/459865170.db2.gz BVXRAOPMNUTHSC-QMTHXVAHSA-N 1 2 349.221 3.133 20 30 EGEDLO Cc1ccc2[nH]c3c(c2c1)C[N@H+](CC(=O)Nc1cccc(C#N)c1)CC3 ZINC000609195818 459923048 /nfs/dbraw/zinc/92/30/48/459923048.db2.gz DRQIHNWEXIYFPN-UHFFFAOYSA-N 1 2 344.418 3.345 20 30 EGEDLO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CC(=O)Nc1cccc(C#N)c1)CC3 ZINC000609195818 459923057 /nfs/dbraw/zinc/92/30/57/459923057.db2.gz DRQIHNWEXIYFPN-UHFFFAOYSA-N 1 2 344.418 3.345 20 30 EGEDLO COc1cccc([C@@H](NC(=O)CCCCCC#N)c2[nH+]ccn2C)c1 ZINC000588274023 459940153 /nfs/dbraw/zinc/94/01/53/459940153.db2.gz SKABOEHUXUJRKD-GOSISDBHSA-N 1 2 340.427 3.108 20 30 EGEDLO C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598628395 459968182 /nfs/dbraw/zinc/96/81/82/459968182.db2.gz RYSQAPVMMFNYAD-XYPHTWIQSA-N 1 2 336.863 3.403 20 30 EGEDLO C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598628395 459968189 /nfs/dbraw/zinc/96/81/89/459968189.db2.gz RYSQAPVMMFNYAD-XYPHTWIQSA-N 1 2 336.863 3.403 20 30 EGEDLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000609548425 459979649 /nfs/dbraw/zinc/97/96/49/459979649.db2.gz YITMFAMEOZMGGJ-MRXNPFEDSA-N 1 2 340.452 3.028 20 30 EGEDLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000609548425 459979653 /nfs/dbraw/zinc/97/96/53/459979653.db2.gz YITMFAMEOZMGGJ-MRXNPFEDSA-N 1 2 340.452 3.028 20 30 EGEDLO CC(C)[N@@H+](Cc1ccc(C#N)cn1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000593962515 460029214 /nfs/dbraw/zinc/02/92/14/460029214.db2.gz YBJOSDUWTWZWTL-UHFFFAOYSA-N 1 2 333.395 3.013 20 30 EGEDLO CC(C)[N@H+](Cc1ccc(C#N)cn1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000593962515 460029219 /nfs/dbraw/zinc/02/92/19/460029219.db2.gz YBJOSDUWTWZWTL-UHFFFAOYSA-N 1 2 333.395 3.013 20 30 EGEDLO Cc1cccn2cc(CCNC(=O)[C@H](C)Cc3ccc(C#N)cc3)[nH+]c12 ZINC000593990055 460043049 /nfs/dbraw/zinc/04/30/49/460043049.db2.gz WRHLKXCKKLKIAB-MRXNPFEDSA-N 1 2 346.434 3.052 20 30 EGEDLO Cc1cnnn1-c1ccc([NH2+][C@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602698675 460073342 /nfs/dbraw/zinc/07/33/42/460073342.db2.gz FAWFJKVIKBDHLT-CQSZACIVSA-N 1 2 325.416 3.087 20 30 EGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598946121 460097634 /nfs/dbraw/zinc/09/76/34/460097634.db2.gz CKRYPNRVYTWZHR-ZDUSSCGKSA-N 1 2 336.420 3.023 20 30 EGEDLO N#Cc1cnc2c(F)ccc(F)c2c1NCc1ccn2cc[nH+]c2c1 ZINC000589583397 460106279 /nfs/dbraw/zinc/10/62/79/460106279.db2.gz AEJGZDCBANIRMQ-UHFFFAOYSA-N 1 2 335.317 3.066 20 30 EGEDLO Cc1cccc2[nH+]c(CNC(=O)N[C@@H](C)c3cccc(C#N)c3)cn21 ZINC000610353813 460132304 /nfs/dbraw/zinc/13/23/04/460132304.db2.gz KCCCSZUWLRDWKO-AWEZNQCLSA-N 1 2 333.395 3.075 20 30 EGEDLO N#CCC1(C[N@@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)CC1 ZINC000602822811 460146090 /nfs/dbraw/zinc/14/60/90/460146090.db2.gz SQSXIIHOIMLGQJ-OAHLLOKOSA-N 1 2 330.432 3.184 20 30 EGEDLO N#CCC1(C[N@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)CC1 ZINC000602822811 460146096 /nfs/dbraw/zinc/14/60/96/460146096.db2.gz SQSXIIHOIMLGQJ-OAHLLOKOSA-N 1 2 330.432 3.184 20 30 EGEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000602870090 460166694 /nfs/dbraw/zinc/16/66/94/460166694.db2.gz SJTDPAHMXGGVJW-RYUDHWBXSA-N 1 2 330.457 3.107 20 30 EGEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000594283230 460179621 /nfs/dbraw/zinc/17/96/21/460179621.db2.gz FTJHMKYLICTKDW-INIZCTEOSA-N 1 2 336.439 3.140 20 30 EGEDLO Cc1ncc([C@@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)s1 ZINC000602953656 460200443 /nfs/dbraw/zinc/20/04/43/460200443.db2.gz ANGWQPPRKVYESS-SNVBAGLBSA-N 1 2 325.397 3.224 20 30 EGEDLO C=CCC1(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)CCCC1 ZINC000619103817 460269180 /nfs/dbraw/zinc/26/91/80/460269180.db2.gz DVDKWADIRIOYDK-UHFFFAOYSA-N 1 2 328.456 3.138 20 30 EGEDLO N#Cc1ccc(C2=CC[N@H+](Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1 ZINC000611245209 460315718 /nfs/dbraw/zinc/31/57/18/460315718.db2.gz LODRLVHINRRXFA-UHFFFAOYSA-N 1 2 342.402 3.496 20 30 EGEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1 ZINC000611245209 460315722 /nfs/dbraw/zinc/31/57/22/460315722.db2.gz LODRLVHINRRXFA-UHFFFAOYSA-N 1 2 342.402 3.496 20 30 EGEDLO N#C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1c(Cl)cccc1Cl ZINC000615756697 460386822 /nfs/dbraw/zinc/38/68/22/460386822.db2.gz WXKIRPQCXAYJPY-MFKMUULPSA-N 1 2 349.221 3.133 20 30 EGEDLO CCc1c[nH]c(CC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)[nH+]1 ZINC000602094051 461008374 /nfs/dbraw/zinc/00/83/74/461008374.db2.gz BQQJOWYBXFORTC-GFCCVEGCSA-N 1 2 337.210 3.202 20 30 EGEDLO C=CCC1(NC(=O)NCc2ccc[nH+]c2N2CCCC2)CCCC1 ZINC000665614739 461165684 /nfs/dbraw/zinc/16/56/84/461165684.db2.gz OFTSMQQNWIBFTG-UHFFFAOYSA-N 1 2 328.460 3.370 20 30 EGEDLO C=CCN(C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[C@@H](C)COC ZINC000665975536 461384843 /nfs/dbraw/zinc/38/48/43/461384843.db2.gz PRELRWNZKRLETB-AWEZNQCLSA-N 1 2 328.416 3.142 20 30 EGEDLO C=CCC1(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCCCC1 ZINC000655732819 461401962 /nfs/dbraw/zinc/40/19/62/461401962.db2.gz NAJWIIIWYSQSNI-INIZCTEOSA-N 1 2 328.460 3.239 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)Cc1ccc(C)cn1 ZINC000649902120 461438616 /nfs/dbraw/zinc/43/86/16/461438616.db2.gz UZJFEIUZVSPPGJ-INIZCTEOSA-N 1 2 343.496 3.487 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(C)cn1 ZINC000649902120 461438622 /nfs/dbraw/zinc/43/86/22/461438622.db2.gz UZJFEIUZVSPPGJ-INIZCTEOSA-N 1 2 343.496 3.487 20 30 EGEDLO C=CCCn1cc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)nn1 ZINC000657310406 462034693 /nfs/dbraw/zinc/03/46/93/462034693.db2.gz OAEIPYIUIKZJQX-UHFFFAOYSA-N 1 2 328.313 3.302 20 30 EGEDLO COC[C@H](C)n1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c1C ZINC000661150824 462125171 /nfs/dbraw/zinc/12/51/71/462125171.db2.gz SHFIEEDKMOHJDJ-DOTOQJQBSA-N 1 2 331.460 3.121 20 30 EGEDLO COC[C@H](C)n1c(C)cc(C(=O)C[N@H+]2CCC[C@H](CC#N)C2)c1C ZINC000661150824 462125174 /nfs/dbraw/zinc/12/51/74/462125174.db2.gz SHFIEEDKMOHJDJ-DOTOQJQBSA-N 1 2 331.460 3.121 20 30 EGEDLO C=CC[N@H+](Cc1nc(COc2cc(C)cc(C)c2)no1)[C@H](C)COC ZINC000661243259 462167800 /nfs/dbraw/zinc/16/78/00/462167800.db2.gz ZCICLZXPHKWEQY-MRXNPFEDSA-N 1 2 345.443 3.288 20 30 EGEDLO C=CC[N@@H+](Cc1nc(COc2cc(C)cc(C)c2)no1)[C@H](C)COC ZINC000661243259 462167806 /nfs/dbraw/zinc/16/78/06/462167806.db2.gz ZCICLZXPHKWEQY-MRXNPFEDSA-N 1 2 345.443 3.288 20 30 EGEDLO COCC[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccco1 ZINC000347991051 536805042 /nfs/dbraw/zinc/80/50/42/536805042.db2.gz FZVWWAMYGDZGMS-OAHLLOKOSA-N 1 2 338.367 3.069 20 30 EGEDLO C[C@@H]1C[C@@H](C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CCC1=O ZINC000328929314 547487364 /nfs/dbraw/zinc/48/73/64/547487364.db2.gz YNBCNKCWBKVPHE-ZBFHGGJFSA-N 1 2 330.428 3.112 20 30 EGEDLO C[C@@H](CNC(=O)c1ccccc1NC1CCCCC1)[NH+]1CCOCC1 ZINC000329209950 547491276 /nfs/dbraw/zinc/49/12/76/547491276.db2.gz CJLWNPBOTAUMFI-INIZCTEOSA-N 1 2 345.487 3.457 20 30 EGEDLO N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000333617173 547539712 /nfs/dbraw/zinc/53/97/12/547539712.db2.gz PBIIUYXPNUKJKU-VQISRLSMSA-N 1 2 338.238 3.381 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(CC(F)(F)F)c1)Cc1ccc(CO)o1 ZINC000348657061 547632481 /nfs/dbraw/zinc/63/24/81/547632481.db2.gz ZSVKKWKPCWUOJC-UHFFFAOYSA-N 1 2 343.349 3.109 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(CC(F)(F)F)c1)Cc1ccc(CO)o1 ZINC000348657061 547632488 /nfs/dbraw/zinc/63/24/88/547632488.db2.gz ZSVKKWKPCWUOJC-UHFFFAOYSA-N 1 2 343.349 3.109 20 30 EGEDLO Cn1c[nH+]cc1CCC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000684372464 550321119 /nfs/dbraw/zinc/32/11/19/550321119.db2.gz PUTPAKOIGNBNNF-UHFFFAOYSA-N 1 2 335.432 3.453 20 30 EGEDLO CC(C)C[N@H+](CCC#N)CC(=O)NC[C@H](c1ccccc1)C(C)C ZINC000739914657 574576521 /nfs/dbraw/zinc/57/65/21/574576521.db2.gz MVJOYRRJMTUTQR-IBGZPJMESA-N 1 2 329.488 3.414 20 30 EGEDLO CC(C)C[N@@H+](CCC#N)CC(=O)NC[C@H](c1ccccc1)C(C)C ZINC000739914657 574576522 /nfs/dbraw/zinc/57/65/22/574576522.db2.gz MVJOYRRJMTUTQR-IBGZPJMESA-N 1 2 329.488 3.414 20 30 EGEDLO C#CCC[NH+]1CCN(C(=O)[C@H](SCc2ccccc2)C(C)C)CC1 ZINC000727383637 574664737 /nfs/dbraw/zinc/66/47/37/574664737.db2.gz PUQDPHTWYCEDRS-LJQANCHMSA-N 1 2 344.524 3.112 20 30 EGEDLO C#CCOc1cccc(OC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000730500052 574994451 /nfs/dbraw/zinc/99/44/51/574994451.db2.gz CPIJYJGWAXRPGG-HXUWFJFHSA-N 1 2 335.403 3.269 20 30 EGEDLO C#CCOc1cccc(OC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000730500052 574994454 /nfs/dbraw/zinc/99/44/54/574994454.db2.gz CPIJYJGWAXRPGG-HXUWFJFHSA-N 1 2 335.403 3.269 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000732155268 575240789 /nfs/dbraw/zinc/24/07/89/575240789.db2.gz LQNGMBAIRXHABA-KRWDZBQOSA-N 1 2 341.455 3.016 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000732155268 575240791 /nfs/dbraw/zinc/24/07/91/575240791.db2.gz LQNGMBAIRXHABA-KRWDZBQOSA-N 1 2 341.455 3.016 20 30 EGEDLO C=CC[C@@H](NC(=O)NCCn1c(C)[nH+]c2ccccc21)c1ccncc1 ZINC000734656104 575532277 /nfs/dbraw/zinc/53/22/77/575532277.db2.gz ZSPAXYSCAWAVIG-QGZVFWFLSA-N 1 2 349.438 3.356 20 30 EGEDLO C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)c2cc(C)c(C)cc2C)CC1 ZINC000735937342 575734548 /nfs/dbraw/zinc/73/45/48/575734548.db2.gz HRBBBKWOJISPSD-QGZVFWFLSA-N 1 2 341.451 3.071 20 30 EGEDLO Fc1cccc(Cl)c1C[NH+]1CCC(N=Nc2cccnn2)CC1 ZINC000735975207 575745927 /nfs/dbraw/zinc/74/59/27/575745927.db2.gz WBBVJJDTJSHOJF-UHFFFAOYSA-N 1 2 333.798 3.333 20 30 EGEDLO C=CCSc1nc2ccccc2n1C[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000736593840 575988056 /nfs/dbraw/zinc/98/80/56/575988056.db2.gz IBQLQIYLUZAQNL-CSTKLKAISA-N 1 2 349.525 3.113 20 30 EGEDLO C=CCSc1nc2ccccc2n1C[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000736593840 575988059 /nfs/dbraw/zinc/98/80/59/575988059.db2.gz IBQLQIYLUZAQNL-CSTKLKAISA-N 1 2 349.525 3.113 20 30 EGEDLO Cc1ccc(NCCC/[NH+]=C\c2cccc(O)c2O)c([N+](=O)[O-])c1 ZINC000739427777 576410666 /nfs/dbraw/zinc/41/06/66/576410666.db2.gz YWPNAHFJRZGWLF-WQRHYEAKSA-N 1 2 329.356 3.236 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+]2C[C@H](C)C[C@@H]2C)c1=S ZINC000740861430 576630819 /nfs/dbraw/zinc/63/08/19/576630819.db2.gz OALQPKLRPQXHQD-KGLIPLIRSA-N 1 2 329.473 3.350 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+]2C[C@H](C)C[C@@H]2C)c1=S ZINC000740861430 576630822 /nfs/dbraw/zinc/63/08/22/576630822.db2.gz OALQPKLRPQXHQD-KGLIPLIRSA-N 1 2 329.473 3.350 20 30 EGEDLO C[C@@H](C(=O)OCc1cc(C#N)ccc1F)[N@@H+]1CCc2ccccc2C1 ZINC000740986264 576643741 /nfs/dbraw/zinc/64/37/41/576643741.db2.gz BRQLVABPQNJMMU-AWEZNQCLSA-N 1 2 338.382 3.187 20 30 EGEDLO C[C@@H](C(=O)OCc1cc(C#N)ccc1F)[N@H+]1CCc2ccccc2C1 ZINC000740986264 576643742 /nfs/dbraw/zinc/64/37/42/576643742.db2.gz BRQLVABPQNJMMU-AWEZNQCLSA-N 1 2 338.382 3.187 20 30 EGEDLO C=CC1CC[NH+](Cn2c3ccc(C(=O)C(C)C)cc3oc2=O)CC1 ZINC000743363002 576806903 /nfs/dbraw/zinc/80/69/03/576806903.db2.gz FZIGOYTZQZPHPR-UHFFFAOYSA-N 1 2 328.412 3.289 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H](Oc2ccccc2OC)C1 ZINC000796563801 1310034501 /nfs/dbraw/zinc/03/45/01/1310034501.db2.gz KFFHEFWGTPQMJM-ZDUSSCGKSA-N 1 2 326.234 3.447 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H](Oc2ccccc2OC)C1 ZINC000796563801 1310034511 /nfs/dbraw/zinc/03/45/11/1310034511.db2.gz KFFHEFWGTPQMJM-ZDUSSCGKSA-N 1 2 326.234 3.447 20 30 EGEDLO Cc1cc(C)c(NC(=O)CO[NH+]=C(N)Cc2ccccc2)c(Cl)c1 ZINC000047255975 1291570209 /nfs/dbraw/zinc/57/02/09/1291570209.db2.gz OHKFJDJAASOSSI-UHFFFAOYSA-N 1 2 345.830 3.427 20 30 EGEDLO C=CCN(CC=C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000074739444 1292364258 /nfs/dbraw/zinc/36/42/58/1292364258.db2.gz RTBGLCDEMXURGR-UHFFFAOYSA-N 1 2 342.487 3.105 20 30 EGEDLO COc1ccc(N2CC[NH+](Cc3cc(C#N)cs3)CC2)cc1F ZINC000091923642 1292848490 /nfs/dbraw/zinc/84/84/90/1292848490.db2.gz DANDAMPTMYCCJL-UHFFFAOYSA-N 1 2 331.416 3.090 20 30 EGEDLO C=C(Br)C[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000105453625 1293035832 /nfs/dbraw/zinc/03/58/32/1293035832.db2.gz NOWISQHJJALKCF-UHFFFAOYSA-N 1 2 349.022 3.176 20 30 EGEDLO C=CCn1c(C2CC2)nn(C[N@H+](C)CCC2CCOCC2)c1=S ZINC000121189557 1293358550 /nfs/dbraw/zinc/35/85/50/1293358550.db2.gz ABOKMJHEAOSFRF-UHFFFAOYSA-N 1 2 336.505 3.183 20 30 EGEDLO C=CCn1c(C2CC2)nn(C[N@@H+](C)CCC2CCOCC2)c1=S ZINC000121189557 1293358555 /nfs/dbraw/zinc/35/85/55/1293358555.db2.gz ABOKMJHEAOSFRF-UHFFFAOYSA-N 1 2 336.505 3.183 20 30 EGEDLO NC(CCO)=[NH+]OCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000136064698 1293808934 /nfs/dbraw/zinc/80/89/34/1293808934.db2.gz UHHHGKINFYRZCH-UHFFFAOYSA-N 1 2 345.346 3.000 20 30 EGEDLO C=CCn1c(=S)n(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)nc1-c1ccncc1 ZINC000151238370 1293915699 /nfs/dbraw/zinc/91/56/99/1293915699.db2.gz YIEYDGVYWZUAGS-IYBDPMFKSA-N 1 2 341.484 3.351 20 30 EGEDLO C=CCn1c(=S)n(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)nc1-c1ccncc1 ZINC000151238370 1293915707 /nfs/dbraw/zinc/91/57/07/1293915707.db2.gz YIEYDGVYWZUAGS-IYBDPMFKSA-N 1 2 341.484 3.351 20 30 EGEDLO Cc1ccc([C@H]2COCC[N@@H+]2CCCOc2ccc(C#N)cc2)o1 ZINC000172026156 1294426266 /nfs/dbraw/zinc/42/62/66/1294426266.db2.gz ZGQLWRVIFLPFHK-GOSISDBHSA-N 1 2 326.396 3.302 20 30 EGEDLO Cc1ccc([C@H]2COCC[N@H+]2CCCOc2ccc(C#N)cc2)o1 ZINC000172026156 1294426269 /nfs/dbraw/zinc/42/62/69/1294426269.db2.gz ZGQLWRVIFLPFHK-GOSISDBHSA-N 1 2 326.396 3.302 20 30 EGEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000346917864 1297345652 /nfs/dbraw/zinc/34/56/52/1297345652.db2.gz HARCEMHVGRPIKU-UHFFFAOYSA-N 1 2 345.244 3.423 20 30 EGEDLO C=CCOc1c(Br)cc(C[NH2+]CCC#N)cc1OC ZINC000351879168 1297428313 /nfs/dbraw/zinc/42/83/13/1297428313.db2.gz HCEUHNDSZRQWPM-UHFFFAOYSA-N 1 2 325.206 3.026 20 30 EGEDLO C#CCOc1ccc(NC(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000746724220 1298649895 /nfs/dbraw/zinc/64/98/95/1298649895.db2.gz OWCHAJCVAMPIJV-UHFFFAOYSA-N 1 2 348.406 3.019 20 30 EGEDLO Cc1c(C(=O)/C=C/c2c[nH+]c3cccc(C)n23)nnn1-c1ccccc1 ZINC000748998469 1299122707 /nfs/dbraw/zinc/12/27/07/1299122707.db2.gz PXMRXUQNHMGSKZ-VAWYXSNFSA-N 1 2 343.390 3.428 20 30 EGEDLO C#CCNC(=O)C[NH2+][C@@H](c1ccc(C)cc1)c1ccc(F)cc1Cl ZINC000749272314 1299183421 /nfs/dbraw/zinc/18/34/21/1299183421.db2.gz MRELOQCMLAHAEP-IBGZPJMESA-N 1 2 344.817 3.216 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000749942601 1299307164 /nfs/dbraw/zinc/30/71/64/1299307164.db2.gz BRRWIELYKNEJMG-RTBURBONSA-N 1 2 328.456 3.432 20 30 EGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000749942601 1299307171 /nfs/dbraw/zinc/30/71/71/1299307171.db2.gz BRRWIELYKNEJMG-RTBURBONSA-N 1 2 328.456 3.432 20 30 EGEDLO CC(C)(C)S(=O)(=O)CCC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000878334183 1299924374 /nfs/dbraw/zinc/92/43/74/1299924374.db2.gz QMBIKVNNRSITGB-UHFFFAOYSA-N 1 2 346.496 3.251 20 30 EGEDLO CC(C)(C)S(=O)(=O)CCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000878334183 1299924385 /nfs/dbraw/zinc/92/43/85/1299924385.db2.gz QMBIKVNNRSITGB-UHFFFAOYSA-N 1 2 346.496 3.251 20 30 EGEDLO CCc1nocc1C[N@H+](C)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878654151 1300127696 /nfs/dbraw/zinc/12/76/96/1300127696.db2.gz OIGMAHCXACOTLH-LJQANCHMSA-N 1 2 325.412 3.109 20 30 EGEDLO CCc1nocc1C[N@@H+](C)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878654151 1300127701 /nfs/dbraw/zinc/12/77/01/1300127701.db2.gz OIGMAHCXACOTLH-LJQANCHMSA-N 1 2 325.412 3.109 20 30 EGEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3ccc4c(c3)CCC(=O)N4C)n21 ZINC000754689722 1300192081 /nfs/dbraw/zinc/19/20/81/1300192081.db2.gz MPCITQPBTKBCDT-NTMALXAHSA-N 1 2 345.402 3.448 20 30 EGEDLO N#CCC1(C[N@H+]2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)CC1 ZINC000878849840 1300224505 /nfs/dbraw/zinc/22/45/05/1300224505.db2.gz PWBIQYSOPFLREU-UHFFFAOYSA-N 1 2 343.393 3.090 20 30 EGEDLO N#CCC1(C[N@@H+]2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)CC1 ZINC000878849840 1300224514 /nfs/dbraw/zinc/22/45/14/1300224514.db2.gz PWBIQYSOPFLREU-UHFFFAOYSA-N 1 2 343.393 3.090 20 30 EGEDLO C/C(=C/c1ccccc1)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000758036780 1300776164 /nfs/dbraw/zinc/77/61/64/1300776164.db2.gz VPJNNAFMKBTAEN-XPOZHUGYSA-N 1 2 341.455 3.439 20 30 EGEDLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(CC#N)cc2)n1 ZINC000758644146 1300930463 /nfs/dbraw/zinc/93/04/63/1300930463.db2.gz MQQMOCMEWZGLOW-UHFFFAOYSA-N 1 2 328.441 3.303 20 30 EGEDLO C=CCc1cc(CNCc2c[nH+]ccc2N(C)C)cc(OC)c1OC ZINC000759157184 1301027893 /nfs/dbraw/zinc/02/78/93/1301027893.db2.gz MNZVQTLLNIQOFY-UHFFFAOYSA-N 1 2 341.455 3.183 20 30 EGEDLO CC1(C)CC(=NNc2cnnc(O)c2Cl)C[N@@H+]1Cc1ccccc1 ZINC000761254699 1301429378 /nfs/dbraw/zinc/42/93/78/1301429378.db2.gz QXWURXRDFZIYNP-UHFFFAOYSA-N 1 2 345.834 3.288 20 30 EGEDLO CC1(C)CC(=NNc2cnnc(O)c2Cl)C[N@H+]1Cc1ccccc1 ZINC000761254699 1301429385 /nfs/dbraw/zinc/42/93/85/1301429385.db2.gz QXWURXRDFZIYNP-UHFFFAOYSA-N 1 2 345.834 3.288 20 30 EGEDLO C[N@H+]1Cc2ccccc2[C@H](Nc2ncc(C#N)cc2Br)C1 ZINC000882136971 1301843827 /nfs/dbraw/zinc/84/38/27/1301843827.db2.gz UIQQQWJRPDEZIN-OAHLLOKOSA-N 1 2 343.228 3.314 20 30 EGEDLO C[N@@H+]1Cc2ccccc2[C@H](Nc2ncc(C#N)cc2Br)C1 ZINC000882136971 1301843841 /nfs/dbraw/zinc/84/38/41/1301843841.db2.gz UIQQQWJRPDEZIN-OAHLLOKOSA-N 1 2 343.228 3.314 20 30 EGEDLO CC(C)[N@@H+](Cc1ccccc1F)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766612799 1302487533 /nfs/dbraw/zinc/48/75/33/1302487533.db2.gz QJNRPDGWJQIOLS-UHFFFAOYSA-N 1 2 339.414 3.216 20 30 EGEDLO CC(C)[N@H+](Cc1ccccc1F)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766612799 1302487540 /nfs/dbraw/zinc/48/75/40/1302487540.db2.gz QJNRPDGWJQIOLS-UHFFFAOYSA-N 1 2 339.414 3.216 20 30 EGEDLO N#Cc1c2c(cn(C[NH+]3CCC(Cc4ccccc4)CC3)c1=O)CCC2 ZINC000766611185 1302488267 /nfs/dbraw/zinc/48/82/67/1302488267.db2.gz FZIHELBKURNUQQ-UHFFFAOYSA-N 1 2 347.462 3.121 20 30 EGEDLO C=CCCSCCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883771511 1302586125 /nfs/dbraw/zinc/58/61/25/1302586125.db2.gz CSASOGFCKGVXIR-KRWDZBQOSA-N 1 2 344.484 3.233 20 30 EGEDLO C#CC[N@H+](CC#CC)Cc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000769450998 1303115742 /nfs/dbraw/zinc/11/57/42/1303115742.db2.gz FUYBDCANDZQNFD-UHFFFAOYSA-N 1 2 325.330 3.095 20 30 EGEDLO C#CC[N@@H+](CC#CC)Cc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000769450998 1303115749 /nfs/dbraw/zinc/11/57/49/1303115749.db2.gz FUYBDCANDZQNFD-UHFFFAOYSA-N 1 2 325.330 3.095 20 30 EGEDLO C=CCOc1ccc(C(=O)OCc2cccc3[nH+]ccn32)cc1OC ZINC000770924449 1303332662 /nfs/dbraw/zinc/33/26/62/1303332662.db2.gz HKYDFMHQFHDNSE-UHFFFAOYSA-N 1 2 338.363 3.265 20 30 EGEDLO C#CC[NH+]1CCC(C(=O)O[C@H](CC)C(=O)c2ccc(Cl)cc2)CC1 ZINC000772113749 1303488295 /nfs/dbraw/zinc/48/82/95/1303488295.db2.gz RQPKVMAGLBVAIQ-QGZVFWFLSA-N 1 2 347.842 3.190 20 30 EGEDLO C#C[C@H]([NH2+]Cc1csc(-c2ccc(OC)cc2)n1)[C@H]1CCCO1 ZINC000775340903 1303943119 /nfs/dbraw/zinc/94/31/19/1303943119.db2.gz JJWXMKILAUCVJT-DLBZAZTESA-N 1 2 328.437 3.089 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1c(C)nn(Cc2ccccc2)c1Cl)[C@H]1CCCO1 ZINC000775798036 1304039761 /nfs/dbraw/zinc/03/97/61/1304039761.db2.gz HKHOOTAQIXZLMO-QZTJIDSGSA-N 1 2 343.858 3.164 20 30 EGEDLO C[C@@H]1CCN(C(=O)Nc2cc(C#N)ccc2F)C[C@H]1n1cc[nH+]c1 ZINC000888360783 1304131291 /nfs/dbraw/zinc/13/12/91/1304131291.db2.gz PYLXQUUWVSQXPC-MLGOLLRUSA-N 1 2 327.363 3.009 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cccc(N(C)C)n1 ZINC000778171242 1304408630 /nfs/dbraw/zinc/40/86/30/1304408630.db2.gz GBQOBHJHOUQWHF-UHFFFAOYSA-N 1 2 329.831 3.103 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)CN1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000778589212 1304470747 /nfs/dbraw/zinc/47/07/47/1304470747.db2.gz PPCALXUEXUNLDS-SFHVURJKSA-N 1 2 340.423 3.331 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)CN1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000778589212 1304470751 /nfs/dbraw/zinc/47/07/51/1304470751.db2.gz PPCALXUEXUNLDS-SFHVURJKSA-N 1 2 340.423 3.331 20 30 EGEDLO C=CCN(CCc1ccco1)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000779071943 1304526356 /nfs/dbraw/zinc/52/63/56/1304526356.db2.gz NOFGWHHJOFJUKC-UHFFFAOYSA-N 1 2 328.416 3.312 20 30 EGEDLO NC(=[NH+]OCc1ccc2c(c1)COC2)c1ccc(Br)cc1 ZINC000782947621 1305027394 /nfs/dbraw/zinc/02/73/94/1305027394.db2.gz DDQBAULIWOFMJB-UHFFFAOYSA-N 1 2 347.212 3.316 20 30 EGEDLO C=CCn1nnn(C[N@H+]2C[C@@H](C)C[C@H]2c2cccc(OC)c2)c1=S ZINC000784009123 1305175521 /nfs/dbraw/zinc/17/55/21/1305175521.db2.gz KHBMTDPSPFTEDW-BBRMVZONSA-N 1 2 345.472 3.044 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2C[C@@H](C)C[C@H]2c2cccc(OC)c2)c1=S ZINC000784009123 1305175524 /nfs/dbraw/zinc/17/55/24/1305175524.db2.gz KHBMTDPSPFTEDW-BBRMVZONSA-N 1 2 345.472 3.044 20 30 EGEDLO C#CC(C)(C)[N@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000787996882 1305840130 /nfs/dbraw/zinc/84/01/30/1305840130.db2.gz BEXGJGNCGPALQV-UHFFFAOYSA-N 1 2 340.246 3.404 20 30 EGEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000787996882 1305840140 /nfs/dbraw/zinc/84/01/40/1305840140.db2.gz BEXGJGNCGPALQV-UHFFFAOYSA-N 1 2 340.246 3.404 20 30 EGEDLO N#Cc1ccc(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)nc1 ZINC000788239169 1305904609 /nfs/dbraw/zinc/90/46/09/1305904609.db2.gz FNFYAYUXPDZYPT-OAHLLOKOSA-N 1 2 349.438 3.011 20 30 EGEDLO N#Cc1ccc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)nc1 ZINC000788239169 1305904618 /nfs/dbraw/zinc/90/46/18/1305904618.db2.gz FNFYAYUXPDZYPT-OAHLLOKOSA-N 1 2 349.438 3.011 20 30 EGEDLO Oc1ccc(/C=[NH+]\C[C@@H]2CCCN(c3ccccc3)C2)c(O)c1O ZINC000788318474 1305921317 /nfs/dbraw/zinc/92/13/17/1305921317.db2.gz DTQAQUMVCKIMQP-GQFJFNLSSA-N 1 2 326.396 3.139 20 30 EGEDLO CCN(C)c1ccc(C=[NH+][N-]c2[nH]c3cc(F)c(F)cc3[nH+]2)cn1 ZINC000790154701 1306270175 /nfs/dbraw/zinc/27/01/75/1306270175.db2.gz VATFNIVMAWNTDI-UHFFFAOYSA-N 1 2 330.342 3.138 20 30 EGEDLO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](CCNC(=O)OC(C)(C)C)C(F)F ZINC000894695819 1309025648 /nfs/dbraw/zinc/02/56/48/1309025648.db2.gz USPKPIXIFOESNM-RYUDHWBXSA-N 1 2 333.423 3.453 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CC[C@H](c3n[nH]c(C)n3)C2)cc1Cl ZINC000895008388 1309155367 /nfs/dbraw/zinc/15/53/67/1309155367.db2.gz WRICHEQCYJCOJO-AWEZNQCLSA-N 1 2 332.835 3.321 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CC[C@H](c3n[nH]c(C)n3)C2)cc1Cl ZINC000895008388 1309155371 /nfs/dbraw/zinc/15/53/71/1309155371.db2.gz WRICHEQCYJCOJO-AWEZNQCLSA-N 1 2 332.835 3.321 20 30 EGEDLO C=CCCOCC(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000793390042 1309362052 /nfs/dbraw/zinc/36/20/52/1309362052.db2.gz DZRTVLQTHQYJKF-UHFFFAOYSA-N 1 2 326.396 3.385 20 30 EGEDLO Cn1c(CC#N)nn(C[N@@H+]2CCCC[C@H]2c2ccccc2)c1=S ZINC000794641825 1309562539 /nfs/dbraw/zinc/56/25/39/1309562539.db2.gz XVZTXHDADCLAMX-HNNXBMFYSA-N 1 2 327.457 3.202 20 30 EGEDLO Cn1c(CC#N)nn(C[N@H+]2CCCC[C@H]2c2ccccc2)c1=S ZINC000794641825 1309562546 /nfs/dbraw/zinc/56/25/46/1309562546.db2.gz XVZTXHDADCLAMX-HNNXBMFYSA-N 1 2 327.457 3.202 20 30 EGEDLO C=C(Br)COC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000796005573 1309884079 /nfs/dbraw/zinc/88/40/79/1309884079.db2.gz ZIUYYFHZMYVSSN-UHFFFAOYSA-N 1 2 345.143 3.075 20 30 EGEDLO Cc1cc(Br)cn2c(CN3CCC[C@@H](C#N)C3)c[nH+]c12 ZINC000896503206 1309890000 /nfs/dbraw/zinc/89/00/00/1309890000.db2.gz JKIKQNCLDGBRMH-LBPRGKRZSA-N 1 2 333.233 3.141 20 30 EGEDLO CCc1ccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 ZINC000798275322 1310333160 /nfs/dbraw/zinc/33/31/60/1310333160.db2.gz PWUIYPICCRGUMG-IRXDYDNUSA-N 1 2 329.444 3.098 20 30 EGEDLO O=C1C=C([NH2+]Nc2ccc(Br)c(F)c2)[C@H]2CCCCN12 ZINC000799485086 1310559431 /nfs/dbraw/zinc/55/94/31/1310559431.db2.gz NNCIRLMWWXZXAT-CYBMUJFWSA-N 1 2 340.196 3.141 20 30 EGEDLO N#Cc1cncc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000929152850 1328525992 /nfs/dbraw/zinc/52/59/92/1328525992.db2.gz GMEOYYLIPYPUBO-UHFFFAOYSA-N 1 2 346.356 3.294 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[C@@H]4C[C@@H]4CC3)CC2)cc1 ZINC000929361997 1328579938 /nfs/dbraw/zinc/57/99/38/1328579938.db2.gz BAYJCZNLRRATON-OWZKRDHZSA-N 1 2 337.467 3.029 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc3ccccc3n2CC)C1 ZINC000957418280 1317345012 /nfs/dbraw/zinc/34/50/12/1317345012.db2.gz ATSXZPZLWBCYIV-UHFFFAOYSA-N 1 2 325.456 3.384 20 30 EGEDLO CCOC(=O)c1oc2c(c1C)C(=O)/C(=C\c1[nH]c(C)c(C)[nH+]1)CC2 ZINC000901457105 1317429360 /nfs/dbraw/zinc/42/93/60/1317429360.db2.gz FVZSOUOFSFKLFM-WQLSENKSSA-N 1 2 328.368 3.317 20 30 EGEDLO CCOC(=O)CCOc1ccc(C(=O)/C=C\c2c[nH+]cn2CC)cc1 ZINC000901467965 1317432797 /nfs/dbraw/zinc/43/27/97/1317432797.db2.gz KJZPOIIWZXZUJQ-YFHOEESVSA-N 1 2 342.395 3.131 20 30 EGEDLO CC(C)n1cncc1/C=C1/COC/C(=C/c2c[nH+]cn2C(C)C)C1=O ZINC000901482530 1317434811 /nfs/dbraw/zinc/43/48/11/1317434811.db2.gz XZKVDEIQCQWOJX-KNBRTIFXSA-N 1 2 340.427 3.308 20 30 EGEDLO C#Cc1ccccc1CC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000811000028 1318090995 /nfs/dbraw/zinc/09/09/95/1318090995.db2.gz ZJKKOXGSDRNULQ-UHFFFAOYSA-N 1 2 335.451 3.126 20 30 EGEDLO N#Cc1cccc(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)n1 ZINC000907815915 1318265777 /nfs/dbraw/zinc/26/57/77/1318265777.db2.gz OOFYGTBOSHNEGJ-AWEZNQCLSA-N 1 2 349.438 3.011 20 30 EGEDLO N#Cc1cccc(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)n1 ZINC000907815915 1318265784 /nfs/dbraw/zinc/26/57/84/1318265784.db2.gz OOFYGTBOSHNEGJ-AWEZNQCLSA-N 1 2 349.438 3.011 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)C1CCCC1 ZINC000960356449 1318479684 /nfs/dbraw/zinc/47/96/84/1318479684.db2.gz LZISETUNHRGUMA-IBGZPJMESA-N 1 2 343.446 3.310 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)C1CCCC1 ZINC000960356449 1318479687 /nfs/dbraw/zinc/47/96/87/1318479687.db2.gz LZISETUNHRGUMA-IBGZPJMESA-N 1 2 343.446 3.310 20 30 EGEDLO C[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cc(F)ccc1C#N)C1CC1 ZINC000960527915 1318645310 /nfs/dbraw/zinc/64/53/10/1318645310.db2.gz KTHAZKCSSCWTTG-LIRRHRJNSA-N 1 2 343.446 3.166 20 30 EGEDLO C[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N)C1CC1 ZINC000960527915 1318645321 /nfs/dbraw/zinc/64/53/21/1318645321.db2.gz KTHAZKCSSCWTTG-LIRRHRJNSA-N 1 2 343.446 3.166 20 30 EGEDLO CC[NH+](CC)Cc1csc(NC(=O)c2ccccc2CC#N)n1 ZINC000911962344 1318785850 /nfs/dbraw/zinc/78/58/50/1318785850.db2.gz AUSLATACCSHSAI-UHFFFAOYSA-N 1 2 328.441 3.303 20 30 EGEDLO CC(N=Nc1nc(-c2ccc(Cl)cc2)no1)c1ccc(N)[nH+]c1 ZINC000814848413 1318831320 /nfs/dbraw/zinc/83/13/20/1318831320.db2.gz KEJWPACECDZXHQ-UHFFFAOYSA-N 1 2 328.763 3.203 20 30 EGEDLO CC(=[NH+]N[C@@H](C)CCc1ccc2c(c1)OCO2)c1cc(N)ccc1F ZINC000814924483 1318850424 /nfs/dbraw/zinc/85/04/24/1318850424.db2.gz ONNFHQRBQGDTQK-LBPRGKRZSA-N 1 2 343.402 3.472 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)[C@H](C)c1nc(C(C)C)no1 ZINC000960790166 1318891906 /nfs/dbraw/zinc/89/19/06/1318891906.db2.gz KZDTXTNEIUWFSX-HUUCEWRRSA-N 1 2 348.491 3.389 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)[C@H](C)c1nc(C(C)C)no1 ZINC000960790166 1318891917 /nfs/dbraw/zinc/89/19/17/1318891917.db2.gz KZDTXTNEIUWFSX-HUUCEWRRSA-N 1 2 348.491 3.389 20 30 EGEDLO CC1(C)C[N@H+](C[C@H](O)c2ccc(C#N)cc2)C[C@](C)(C(F)(F)F)O1 ZINC000815147864 1318913908 /nfs/dbraw/zinc/91/39/08/1318913908.db2.gz HGRMPRUAANHFBC-GOEBONIOSA-N 1 2 342.361 3.023 20 30 EGEDLO CC1(C)C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C[C@](C)(C(F)(F)F)O1 ZINC000815147864 1318913917 /nfs/dbraw/zinc/91/39/17/1318913917.db2.gz HGRMPRUAANHFBC-GOEBONIOSA-N 1 2 342.361 3.023 20 30 EGEDLO N#Cc1ccc(CNc2ccc([NH+]3CCC(O)CC3)cc2)cc1F ZINC000817406693 1319350314 /nfs/dbraw/zinc/35/03/14/1319350314.db2.gz OXTAPYKGINZAEA-UHFFFAOYSA-N 1 2 325.387 3.271 20 30 EGEDLO C=C(Cl)CN1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000914594485 1319352447 /nfs/dbraw/zinc/35/24/47/1319352447.db2.gz BUAZZZNIRBMUQP-UHFFFAOYSA-N 1 2 334.769 3.455 20 30 EGEDLO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)cc1 ZINC000818357560 1319535749 /nfs/dbraw/zinc/53/57/49/1319535749.db2.gz AEWUEELHCRPRER-STQMWFEESA-N 1 2 344.436 3.354 20 30 EGEDLO C[C@H]1CN(c2ccccc2C=[NH+]Nc2nc3ccccc3n2C)CCO1 ZINC000915967114 1319573657 /nfs/dbraw/zinc/57/36/57/1319573657.db2.gz BTZNFXYEZVHAAY-HNNXBMFYSA-N 1 2 349.438 3.244 20 30 EGEDLO CCCCCNC(=S)NN=C(C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000916360795 1319645312 /nfs/dbraw/zinc/64/53/12/1319645312.db2.gz FMGYLWFSBNGEDF-UHFFFAOYSA-N 1 2 329.473 3.251 20 30 EGEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000821481217 1320016612 /nfs/dbraw/zinc/01/66/12/1320016612.db2.gz HUTPOJKFMGESJY-LLVKDONJSA-N 1 2 331.445 3.324 20 30 EGEDLO COCc1csc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000824950433 1320299669 /nfs/dbraw/zinc/29/96/69/1320299669.db2.gz SQIQAVHMEIFMPP-GOSISDBHSA-N 1 2 328.437 3.340 20 30 EGEDLO COCc1csc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000824950433 1320299672 /nfs/dbraw/zinc/29/96/72/1320299672.db2.gz SQIQAVHMEIFMPP-GOSISDBHSA-N 1 2 328.437 3.340 20 30 EGEDLO CCc1nc(C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)co1 ZINC000825049722 1320306624 /nfs/dbraw/zinc/30/66/24/1320306624.db2.gz AYVNXBAYUCJJBY-UHFFFAOYSA-N 1 2 329.400 3.218 20 30 EGEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000839601076 1320943636 /nfs/dbraw/zinc/94/36/36/1320943636.db2.gz JCGSZFSJRVWQJH-YLJYHZDGSA-N 1 2 348.446 3.150 20 30 EGEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000839601076 1320943640 /nfs/dbraw/zinc/94/36/40/1320943640.db2.gz JCGSZFSJRVWQJH-YLJYHZDGSA-N 1 2 348.446 3.150 20 30 EGEDLO C[C@@H](CC(=O)OCc1ccc(C#N)cc1OC(F)F)n1cc[nH+]c1 ZINC000845283585 1321694025 /nfs/dbraw/zinc/69/40/25/1321694025.db2.gz YGPTYEPFTANGNG-NSHDSACASA-N 1 2 335.310 3.051 20 30 EGEDLO CCc1ccc(N2CC[NH+](Cc3ccc(C#N)cn3)CC2)cc1Cl ZINC000846899851 1321821983 /nfs/dbraw/zinc/82/19/83/1321821983.db2.gz IRWLVYGZWXRNPG-UHFFFAOYSA-N 1 2 340.858 3.491 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 ZINC000849180577 1322094677 /nfs/dbraw/zinc/09/46/77/1322094677.db2.gz QUWZPICYOHEZDN-BEFAXECRSA-N 1 2 347.418 3.097 20 30 EGEDLO N#CC[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 ZINC000849180577 1322094688 /nfs/dbraw/zinc/09/46/88/1322094688.db2.gz QUWZPICYOHEZDN-BEFAXECRSA-N 1 2 347.418 3.097 20 30 EGEDLO CC(C)(C)OC(=O)NCC12CC(C1)C[N@@H+]2Cc1cc(C#N)ccc1F ZINC000852526210 1323203870 /nfs/dbraw/zinc/20/38/70/1323203870.db2.gz JFNVSEJPYLTPRG-UHFFFAOYSA-N 1 2 345.418 3.186 20 30 EGEDLO CC(C)(C)OC(=O)NCC12CC(C1)C[N@H+]2Cc1cc(C#N)ccc1F ZINC000852526210 1323203876 /nfs/dbraw/zinc/20/38/76/1323203876.db2.gz JFNVSEJPYLTPRG-UHFFFAOYSA-N 1 2 345.418 3.186 20 30 EGEDLO O=C(NC[C@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl)C1CC1 ZINC001024293271 1323269800 /nfs/dbraw/zinc/26/98/00/1323269800.db2.gz RZLUZHPXVAZZTJ-QGZVFWFLSA-N 1 2 330.859 3.072 20 30 EGEDLO O=C(NC[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1Cl)C1CC1 ZINC001024293271 1323269805 /nfs/dbraw/zinc/26/98/05/1323269805.db2.gz RZLUZHPXVAZZTJ-QGZVFWFLSA-N 1 2 330.859 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(F)c1F ZINC001024622186 1323550123 /nfs/dbraw/zinc/55/01/23/1323550123.db2.gz SSSBMLFJSCNZPT-LBPRGKRZSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(F)c1F ZINC001024622186 1323550134 /nfs/dbraw/zinc/55/01/34/1323550134.db2.gz SSSBMLFJSCNZPT-LBPRGKRZSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(N(C)C)c1 ZINC001024776837 1323678956 /nfs/dbraw/zinc/67/89/56/1323678956.db2.gz AYNGSVRCMRAGMX-QGZVFWFLSA-N 1 2 335.879 3.089 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(N(C)C)c1 ZINC001024776837 1323678963 /nfs/dbraw/zinc/67/89/63/1323678963.db2.gz AYNGSVRCMRAGMX-QGZVFWFLSA-N 1 2 335.879 3.089 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1c(C)nsc1C ZINC001024816110 1323718575 /nfs/dbraw/zinc/71/85/75/1323718575.db2.gz BRNIHPHNEPBSJI-ZDUSSCGKSA-N 1 2 327.881 3.097 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1c(C)nsc1C ZINC001024816110 1323718578 /nfs/dbraw/zinc/71/85/78/1323718578.db2.gz BRNIHPHNEPBSJI-ZDUSSCGKSA-N 1 2 327.881 3.097 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCCC[C@H]1C[NH2+]Cc1nc(CCC)no1 ZINC001025070152 1323872650 /nfs/dbraw/zinc/87/26/50/1323872650.db2.gz VJLDBNHHEGIVBK-HNAYVOBHSA-N 1 2 348.491 3.095 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1Cc1nncs1 ZINC001025260039 1324071315 /nfs/dbraw/zinc/07/13/15/1324071315.db2.gz VBMZAZHGCXAGES-CABCVRRESA-N 1 2 348.516 3.096 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCCC[C@H]1[C@H]1CCC[N@H+]1Cc1nncs1 ZINC001025260039 1324071320 /nfs/dbraw/zinc/07/13/20/1324071320.db2.gz VBMZAZHGCXAGES-CABCVRRESA-N 1 2 348.516 3.096 20 30 EGEDLO C=CC[C@@H]1CCC[N@@H+](Cn2nc(CO)n(-c3ccccc3)c2=S)C1 ZINC000853537512 1325118823 /nfs/dbraw/zinc/11/88/23/1325118823.db2.gz ZASPWHZOPLATPJ-OAHLLOKOSA-N 1 2 344.484 3.141 20 30 EGEDLO C=CC[C@@H]1CCC[N@H+](Cn2nc(CO)n(-c3ccccc3)c2=S)C1 ZINC000853537512 1325118830 /nfs/dbraw/zinc/11/88/30/1325118830.db2.gz ZASPWHZOPLATPJ-OAHLLOKOSA-N 1 2 344.484 3.141 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(OC(F)F)cn1 ZINC000853544059 1325119345 /nfs/dbraw/zinc/11/93/45/1325119345.db2.gz OZUSHIGPVXJQMF-UHFFFAOYSA-N 1 2 333.338 3.482 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@]1(CO)C[C@H]1c1ccccc1 ZINC000853637918 1325139059 /nfs/dbraw/zinc/13/90/59/1325139059.db2.gz VQDNXCZEQVZUNM-RXVVDRJESA-N 1 2 336.435 3.452 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cnc(Cl)s2)C1 ZINC001191868460 1367622220 /nfs/dbraw/zinc/62/22/20/1367622220.db2.gz UDICOWMBWKQREI-CHWSQXEVSA-N 1 2 341.908 3.432 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2C[N@@H+](Cc3ccc(C#N)s3)CC[C@@H]2C)o1 ZINC000964901628 1327758928 /nfs/dbraw/zinc/75/89/28/1327758928.db2.gz GLCZBXLGVMDIGM-LRDDRELGSA-N 1 2 343.452 3.162 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2C[N@H+](Cc3ccc(C#N)s3)CC[C@@H]2C)o1 ZINC000964901628 1327758937 /nfs/dbraw/zinc/75/89/37/1327758937.db2.gz GLCZBXLGVMDIGM-LRDDRELGSA-N 1 2 343.452 3.162 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@@H]2C)o1 ZINC000964900986 1327759716 /nfs/dbraw/zinc/75/97/16/1327759716.db2.gz GEJXPQYJNJXALP-KBXCAEBGSA-N 1 2 337.423 3.100 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)CC[C@@H]2C)o1 ZINC000964900986 1327759724 /nfs/dbraw/zinc/75/97/24/1327759724.db2.gz GEJXPQYJNJXALP-KBXCAEBGSA-N 1 2 337.423 3.100 20 30 EGEDLO C[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)c1ccsc1 ZINC000964936141 1327782712 /nfs/dbraw/zinc/78/27/12/1327782712.db2.gz NNLYQCPBIYVBNC-KDOFPFPSSA-N 1 2 339.464 3.260 20 30 EGEDLO C[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)c1ccsc1 ZINC000964936141 1327782721 /nfs/dbraw/zinc/78/27/21/1327782721.db2.gz NNLYQCPBIYVBNC-KDOFPFPSSA-N 1 2 339.464 3.260 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@]2(C)C=CCC2)C1 ZINC001027531667 1327816511 /nfs/dbraw/zinc/81/65/11/1327816511.db2.gz OVUUAQYSFLUBDF-HOCLYGCPSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@]2(C)C=CCC2)C1 ZINC001027531667 1327816518 /nfs/dbraw/zinc/81/65/18/1327816518.db2.gz OVUUAQYSFLUBDF-HOCLYGCPSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]([N@H+](C)Cc2nc(C)c(C)o2)C1 ZINC001027559978 1327872834 /nfs/dbraw/zinc/87/28/34/1327872834.db2.gz LUXOMQIOIMVARI-APWZRJJASA-N 1 2 333.476 3.317 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2nc(C)c(C)o2)C1 ZINC001027559978 1327872843 /nfs/dbraw/zinc/87/28/43/1327872843.db2.gz LUXOMQIOIMVARI-APWZRJJASA-N 1 2 333.476 3.317 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]([N@H+](C)Cc2nc(C)oc2C)C1 ZINC001027560249 1327876410 /nfs/dbraw/zinc/87/64/10/1327876410.db2.gz UEUIGUZFOAWRIU-LPHOPBHVSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]([N@@H+](C)Cc2nc(C)oc2C)C1 ZINC001027560249 1327876418 /nfs/dbraw/zinc/87/64/18/1327876418.db2.gz UEUIGUZFOAWRIU-LPHOPBHVSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)C(C)C)C1 ZINC001027605957 1327963169 /nfs/dbraw/zinc/96/31/69/1327963169.db2.gz ZGTFHTYOYAFOEJ-UONOGXRCSA-N 1 2 331.298 3.110 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)C(C)C)C1 ZINC001027605957 1327963175 /nfs/dbraw/zinc/96/31/75/1327963175.db2.gz ZGTFHTYOYAFOEJ-UONOGXRCSA-N 1 2 331.298 3.110 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@@H]2C)co1 ZINC000965951008 1328127169 /nfs/dbraw/zinc/12/71/69/1328127169.db2.gz AVONNXKXIAGWQV-IFXJQAMLSA-N 1 2 337.423 3.100 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)CC[C@@H]2C)co1 ZINC000965951008 1328127174 /nfs/dbraw/zinc/12/71/74/1328127174.db2.gz AVONNXKXIAGWQV-IFXJQAMLSA-N 1 2 337.423 3.100 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001027749498 1328183504 /nfs/dbraw/zinc/18/35/04/1328183504.db2.gz XFKDDXQNBNMZNM-KXBFYZLASA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001027749498 1328183505 /nfs/dbraw/zinc/18/35/05/1328183505.db2.gz XFKDDXQNBNMZNM-KXBFYZLASA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc2ccccc2nc1C ZINC001027916969 1328394560 /nfs/dbraw/zinc/39/45/60/1328394560.db2.gz XYLLYUQWYFWMIL-INIZCTEOSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc2ccccc2nc1C ZINC001027916969 1328394566 /nfs/dbraw/zinc/39/45/66/1328394566.db2.gz XYLLYUQWYFWMIL-INIZCTEOSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc(-c2ccccc2)o1 ZINC001027949902 1328422150 /nfs/dbraw/zinc/42/21/50/1328422150.db2.gz GFZZYQSNHCJDHW-OAHLLOKOSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnc(-c2ccccc2)o1 ZINC001027949902 1328422153 /nfs/dbraw/zinc/42/21/53/1328422153.db2.gz GFZZYQSNHCJDHW-OAHLLOKOSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2nccc3ccsc32)C1 ZINC000966839648 1328435461 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DWQXZKZJWUWYMD-KDOFPFPSSA-N 1 2 348.874 3.444 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]c(C(C)C)n1 ZINC001062012931 1351424024 /nfs/dbraw/zinc/42/40/24/1351424024.db2.gz WXXVCXKLVNMGHF-IYBDPMFKSA-N 1 2 342.487 3.300 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2occc2C)C[C@@H]1C ZINC000947057805 1332994968 /nfs/dbraw/zinc/99/49/68/1332994968.db2.gz USYDOSQMVNQDIX-QWHCGFSZSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2occc2C)C[C@@H]1C ZINC000947057805 1332994971 /nfs/dbraw/zinc/99/49/71/1332994971.db2.gz USYDOSQMVNQDIX-QWHCGFSZSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)C[C@H]1C ZINC000947301120 1333082081 /nfs/dbraw/zinc/08/20/81/1333082081.db2.gz OFAZQZIBNUWEBE-DOMZBBRYSA-N 1 2 341.293 3.365 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)C[C@H]1C ZINC000947301120 1333082083 /nfs/dbraw/zinc/08/20/83/1333082083.db2.gz OFAZQZIBNUWEBE-DOMZBBRYSA-N 1 2 341.293 3.365 20 30 EGEDLO 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C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1occc1Cl ZINC000948955127 1333746785 /nfs/dbraw/zinc/74/67/85/1333746785.db2.gz SFSZZLIIPMYBSU-MRXNPFEDSA-N 1 2 330.815 3.448 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1csc(C)c1 ZINC000948970123 1333751444 /nfs/dbraw/zinc/75/14/44/1333751444.db2.gz SHRGMSFBTWGWKW-IBGZPJMESA-N 1 2 338.476 3.409 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1csc(C)c1 ZINC000948970123 1333751445 /nfs/dbraw/zinc/75/14/45/1333751445.db2.gz SHRGMSFBTWGWKW-IBGZPJMESA-N 1 2 338.476 3.409 20 30 EGEDLO C#Cc1ccc(C(=O)N2CC[NH+](Cc3cc4ccccc4o3)CC2)cc1 ZINC000949593950 1333880725 /nfs/dbraw/zinc/88/07/25/1333880725.db2.gz XUBRYXZUHUZVLA-UHFFFAOYSA-N 1 2 344.414 3.372 20 30 EGEDLO C#Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)cc1 ZINC000949597144 1333881283 /nfs/dbraw/zinc/88/12/83/1333881283.db2.gz LMEWCJZWMADZON-MRXNPFEDSA-N 1 2 336.410 3.326 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccnc(-c3ccco3)c2)C1 ZINC000950585383 1334092160 /nfs/dbraw/zinc/09/21/60/1334092160.db2.gz AFNKXVZTHUKHFJ-UHFFFAOYSA-N 1 2 325.412 3.064 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000950697622 1334118363 /nfs/dbraw/zinc/11/83/63/1334118363.db2.gz WINVHDMHUNBHLT-ZIAGYGMSSA-N 1 2 332.410 3.464 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccccc2O[C@H](C)CC)C1 ZINC000952378921 1334440854 /nfs/dbraw/zinc/44/08/54/1334440854.db2.gz UDZKAJQXIMWBEY-MRXNPFEDSA-N 1 2 328.456 3.034 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3cccnc3c2)C1 ZINC000968439898 1335929445 /nfs/dbraw/zinc/92/94/45/1335929445.db2.gz OLTKCDOMQOQQLO-ACJLOTCBSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3cccnc3c2)C1 ZINC000968439898 1335929450 /nfs/dbraw/zinc/92/94/50/1335929450.db2.gz OLTKCDOMQOQQLO-ACJLOTCBSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC000968615628 1335985329 /nfs/dbraw/zinc/98/53/29/1335985329.db2.gz ZXGSWUAMKKDPAK-RDTXWAMCSA-N 1 2 334.891 3.425 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC000968615628 1335985334 /nfs/dbraw/zinc/98/53/34/1335985334.db2.gz ZXGSWUAMKKDPAK-RDTXWAMCSA-N 1 2 334.891 3.425 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc3cnccc32)C1 ZINC000968651382 1335997134 /nfs/dbraw/zinc/99/71/34/1335997134.db2.gz HRRBFVYFTPUIHM-ACJLOTCBSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc3cnccc32)C1 ZINC000968651382 1335997138 /nfs/dbraw/zinc/99/71/38/1335997138.db2.gz HRRBFVYFTPUIHM-ACJLOTCBSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc3n(c2)CCCC3)C1 ZINC000968713079 1336020756 /nfs/dbraw/zinc/02/07/56/1336020756.db2.gz JHDDGNMQVSXXOJ-CXAGYDPISA-N 1 2 335.879 3.017 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc3n(c2)CCCC3)C1 ZINC000968713079 1336020759 /nfs/dbraw/zinc/02/07/59/1336020759.db2.gz JHDDGNMQVSXXOJ-CXAGYDPISA-N 1 2 335.879 3.017 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1csnc1C ZINC000968822459 1336060993 /nfs/dbraw/zinc/06/09/93/1336060993.db2.gz XROYHURBEZGQNA-CYBMUJFWSA-N 1 2 327.881 3.178 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1csnc1C ZINC000968822459 1336060995 /nfs/dbraw/zinc/06/09/95/1336060995.db2.gz XROYHURBEZGQNA-CYBMUJFWSA-N 1 2 327.881 3.178 20 30 EGEDLO C=CCOc1ccc(C(=O)N[C@H](C)C2C[NH+](CC(=C)Cl)C2)cc1 ZINC000969987225 1336269321 /nfs/dbraw/zinc/26/93/21/1336269321.db2.gz GZUWZCFGYSAKCU-CQSZACIVSA-N 1 2 334.847 3.054 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(Cl)cc2C)C1 ZINC000970365913 1336298447 /nfs/dbraw/zinc/29/84/47/1336298447.db2.gz HVHSGSNUOMAWKP-LBPRGKRZSA-N 1 2 327.255 3.451 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(Cl)c(OC)c2)C1 ZINC000970525054 1336317045 /nfs/dbraw/zinc/31/70/45/1336317045.db2.gz ABMULOCLRDQFSA-LLVKDONJSA-N 1 2 343.254 3.151 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)C2=CCCCCC2)C1 ZINC000971404730 1336342688 /nfs/dbraw/zinc/34/26/88/1336342688.db2.gz WSNBDDZCFLGMPV-OAHLLOKOSA-N 1 2 341.293 3.318 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)C2=CCCCCC2)C1 ZINC000971404730 1336342691 /nfs/dbraw/zinc/34/26/91/1336342691.db2.gz WSNBDDZCFLGMPV-OAHLLOKOSA-N 1 2 341.293 3.318 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)s1 ZINC001006601833 1336536112 /nfs/dbraw/zinc/53/61/12/1336536112.db2.gz IWIPSBDTKSNOMW-ZDUSSCGKSA-N 1 2 345.493 3.384 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)s1 ZINC001006601833 1336536116 /nfs/dbraw/zinc/53/61/16/1336536116.db2.gz IWIPSBDTKSNOMW-ZDUSSCGKSA-N 1 2 345.493 3.384 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)C[C@H]3C=CCC3)C2)c(F)c1 ZINC001006704787 1336559271 /nfs/dbraw/zinc/55/92/71/1336559271.db2.gz MJWDYOTUQGKBTN-YJBOKZPZSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)C[C@H]3C=CCC3)C2)c(F)c1 ZINC001006704787 1336559274 /nfs/dbraw/zinc/55/92/74/1336559274.db2.gz MJWDYOTUQGKBTN-YJBOKZPZSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3CC=CCC3)C2)c(F)c1 ZINC001006724593 1336564036 /nfs/dbraw/zinc/56/40/36/1336564036.db2.gz ULNPBHMYJGAZHI-WMZOPIPTSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3CC=CCC3)C2)c(F)c1 ZINC001006724593 1336564037 /nfs/dbraw/zinc/56/40/37/1336564037.db2.gz ULNPBHMYJGAZHI-WMZOPIPTSA-N 1 2 341.430 3.134 20 30 EGEDLO CC1CC(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3cccc(Cl)c3)C2)C1 ZINC001007065360 1336637182 /nfs/dbraw/zinc/63/71/82/1336637182.db2.gz PTQKSKIAZHQMSR-GXOAENINSA-N 1 2 344.886 3.318 20 30 EGEDLO CC1CC(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3cccc(Cl)c3)C2)C1 ZINC001007065360 1336637186 /nfs/dbraw/zinc/63/71/86/1336637186.db2.gz PTQKSKIAZHQMSR-GXOAENINSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3cc(OC)ccc32)C1 ZINC001007458000 1336651026 /nfs/dbraw/zinc/65/10/26/1336651026.db2.gz CZSDPFQAKZNCKX-MAUKXSAKSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3cc(OC)ccc32)C1 ZINC001007458000 1336651029 /nfs/dbraw/zinc/65/10/29/1336651029.db2.gz CZSDPFQAKZNCKX-MAUKXSAKSA-N 1 2 348.874 3.058 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1)C1CCC1 ZINC001007593354 1336672899 /nfs/dbraw/zinc/67/28/99/1336672899.db2.gz FESYPJMPVXNJSZ-KDOFPFPSSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1)C1CCC1 ZINC001007593354 1336672903 /nfs/dbraw/zinc/67/29/03/1336672903.db2.gz FESYPJMPVXNJSZ-KDOFPFPSSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cccc(C3CC3)c2)C1 ZINC001008045198 1336757163 /nfs/dbraw/zinc/75/71/63/1336757163.db2.gz KFMSTJKKZGGBPL-GOSISDBHSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2cccc(C3CC3)c2)C1 ZINC001008045198 1336757166 /nfs/dbraw/zinc/75/71/66/1336757166.db2.gz KFMSTJKKZGGBPL-GOSISDBHSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001008134849 1336777042 /nfs/dbraw/zinc/77/70/42/1336777042.db2.gz CPMRMJZHXJNOKG-OAHLLOKOSA-N 1 2 331.847 3.423 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001008134849 1336777044 /nfs/dbraw/zinc/77/70/44/1336777044.db2.gz CPMRMJZHXJNOKG-OAHLLOKOSA-N 1 2 331.847 3.423 20 30 EGEDLO CC1(C)CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001008225195 1336797321 /nfs/dbraw/zinc/79/73/21/1336797321.db2.gz OBCOAZSBPUTZLU-RBUKOAKNSA-N 1 2 339.483 3.465 20 30 EGEDLO CC1(C)CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001008225195 1336797323 /nfs/dbraw/zinc/79/73/23/1336797323.db2.gz OBCOAZSBPUTZLU-RBUKOAKNSA-N 1 2 339.483 3.465 20 30 EGEDLO C[C@@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)C=CCC1 ZINC001008231988 1336800021 /nfs/dbraw/zinc/80/00/21/1336800021.db2.gz QITLIPMJVVUYSA-YLJYHZDGSA-N 1 2 341.430 3.134 20 30 EGEDLO C[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)C=CCC1 ZINC001008231988 1336800024 /nfs/dbraw/zinc/80/00/24/1336800024.db2.gz QITLIPMJVVUYSA-YLJYHZDGSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)c2cc[nH]c2C2CC2)C1 ZINC001008333795 1336824920 /nfs/dbraw/zinc/82/49/20/1336824920.db2.gz VBLZAKMVMMDJFK-GOSISDBHSA-N 1 2 348.450 3.158 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)c2cc[nH]c2C2CC2)C1 ZINC001008333795 1336824921 /nfs/dbraw/zinc/82/49/21/1336824921.db2.gz VBLZAKMVMMDJFK-GOSISDBHSA-N 1 2 348.450 3.158 20 30 EGEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)c1occc1Cl ZINC001008430711 1336851541 /nfs/dbraw/zinc/85/15/41/1336851541.db2.gz UWVDFTJPOOUGBD-MRXNPFEDSA-N 1 2 342.826 3.179 20 30 EGEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1occc1Cl ZINC001008430711 1336851542 /nfs/dbraw/zinc/85/15/42/1336851542.db2.gz UWVDFTJPOOUGBD-MRXNPFEDSA-N 1 2 342.826 3.179 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3ncoc3C(C)C)C2)C1 ZINC001008466029 1336863898 /nfs/dbraw/zinc/86/38/98/1336863898.db2.gz UHSNPLCLGBHTSA-OAHLLOKOSA-N 1 2 331.460 3.235 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3ncoc3C(C)C)C2)C1 ZINC001008466029 1336863899 /nfs/dbraw/zinc/86/38/99/1336863899.db2.gz UHSNPLCLGBHTSA-OAHLLOKOSA-N 1 2 331.460 3.235 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)C2(F)CCCCC2)C1 ZINC001009096230 1336968729 /nfs/dbraw/zinc/96/87/29/1336968729.db2.gz PCKRNWGKUMCDFV-GOSISDBHSA-N 1 2 343.446 3.311 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)C2(F)CCCCC2)C1 ZINC001009096230 1336968732 /nfs/dbraw/zinc/96/87/32/1336968732.db2.gz PCKRNWGKUMCDFV-GOSISDBHSA-N 1 2 343.446 3.311 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC001009142306 1336976123 /nfs/dbraw/zinc/97/61/23/1336976123.db2.gz FVBNIMAFVWHXOF-IBGZPJMESA-N 1 2 337.467 3.075 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC001009142306 1336976126 /nfs/dbraw/zinc/97/61/26/1336976126.db2.gz FVBNIMAFVWHXOF-IBGZPJMESA-N 1 2 337.467 3.075 20 30 EGEDLO CC(C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1)=C1CCCC1 ZINC001010512367 1337213478 /nfs/dbraw/zinc/21/34/78/1337213478.db2.gz MLRCCQSNFFISPY-GOSISDBHSA-N 1 2 341.430 3.278 20 30 EGEDLO CC(C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1)=C1CCCC1 ZINC001010512367 1337213481 /nfs/dbraw/zinc/21/34/81/1337213481.db2.gz MLRCCQSNFFISPY-GOSISDBHSA-N 1 2 341.430 3.278 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001014441475 1337778847 /nfs/dbraw/zinc/77/88/47/1337778847.db2.gz SLKAOKHUXZZESG-LPHOPBHVSA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001014441475 1337778849 /nfs/dbraw/zinc/77/88/49/1337778849.db2.gz SLKAOKHUXZZESG-LPHOPBHVSA-N 1 2 337.467 3.219 20 30 EGEDLO CC1=C(C)C[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC001014541749 1337815029 /nfs/dbraw/zinc/81/50/29/1337815029.db2.gz GOJHQQXASUTZAZ-XLIONFOSSA-N 1 2 337.467 3.385 20 30 EGEDLO CC1=C(C)C[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC001014541749 1337815031 /nfs/dbraw/zinc/81/50/31/1337815031.db2.gz GOJHQQXASUTZAZ-XLIONFOSSA-N 1 2 337.467 3.385 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2-c2ccncc2)C1 ZINC001014929489 1337956226 /nfs/dbraw/zinc/95/62/26/1337956226.db2.gz DSLPRAOIAVUSBM-INIZCTEOSA-N 1 2 341.842 3.305 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccc2-c2ccncc2)C1 ZINC001014929489 1337956229 /nfs/dbraw/zinc/95/62/29/1337956229.db2.gz DSLPRAOIAVUSBM-INIZCTEOSA-N 1 2 341.842 3.305 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c2cccc3Cl)C1 ZINC001015301258 1338090799 /nfs/dbraw/zinc/09/07/99/1338090799.db2.gz SVBRUKSZCVZOID-WFASDCNBSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c2cccc3Cl)C1 ZINC001015301258 1338090804 /nfs/dbraw/zinc/09/08/04/1338090804.db2.gz SVBRUKSZCVZOID-WFASDCNBSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2sccc2-n2cccc2)C1 ZINC001015457730 1338146858 /nfs/dbraw/zinc/14/68/58/1338146858.db2.gz XAHXCALAZVTPDK-CYBMUJFWSA-N 1 2 335.860 3.095 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2sccc2-n2cccc2)C1 ZINC001015457730 1338146861 /nfs/dbraw/zinc/14/68/61/1338146861.db2.gz XAHXCALAZVTPDK-CYBMUJFWSA-N 1 2 335.860 3.095 20 30 EGEDLO CC(C)(C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)C1CC1 ZINC001015562603 1338182759 /nfs/dbraw/zinc/18/27/59/1338182759.db2.gz DSQSOFLBHIFBGS-SFHVURJKSA-N 1 2 344.886 3.318 20 30 EGEDLO CC(C)(C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)C1CC1 ZINC001015562603 1338182760 /nfs/dbraw/zinc/18/27/60/1338182760.db2.gz DSQSOFLBHIFBGS-SFHVURJKSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3nc4ccc(F)cc4o3)C2)C1 ZINC001015671794 1338248802 /nfs/dbraw/zinc/24/88/02/1338248802.db2.gz FCUXOVPJJIOXJJ-CQSZACIVSA-N 1 2 343.402 3.014 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3nc4ccc(F)cc4o3)C2)C1 ZINC001015671794 1338248805 /nfs/dbraw/zinc/24/88/05/1338248805.db2.gz FCUXOVPJJIOXJJ-CQSZACIVSA-N 1 2 343.402 3.014 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3c(Cl)cccc3OC)C2)C1 ZINC001015676341 1338252475 /nfs/dbraw/zinc/25/24/75/1338252475.db2.gz JRUVCQKZNFCRLP-CQSZACIVSA-N 1 2 348.874 3.395 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3c(Cl)cccc3OC)C2)C1 ZINC001015676341 1338252479 /nfs/dbraw/zinc/25/24/79/1338252479.db2.gz JRUVCQKZNFCRLP-CQSZACIVSA-N 1 2 348.874 3.395 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)C1 ZINC001015676139 1338252912 /nfs/dbraw/zinc/25/29/12/1338252912.db2.gz HPOSEEWLNLUAQS-GOSISDBHSA-N 1 2 342.870 3.238 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)C1 ZINC001015676139 1338252914 /nfs/dbraw/zinc/25/29/14/1338252914.db2.gz HPOSEEWLNLUAQS-GOSISDBHSA-N 1 2 342.870 3.238 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H](F)c3ccccc3)C2)s1 ZINC001015768911 1338301800 /nfs/dbraw/zinc/30/18/00/1338301800.db2.gz IETUDJWJMAEZON-WMLDXEAASA-N 1 2 343.427 3.021 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H](F)c3ccccc3)C2)s1 ZINC001015768911 1338301802 /nfs/dbraw/zinc/30/18/02/1338301802.db2.gz IETUDJWJMAEZON-WMLDXEAASA-N 1 2 343.427 3.021 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccc2O[C@H](C)CC)C1 ZINC001015775113 1338305367 /nfs/dbraw/zinc/30/53/67/1338305367.db2.gz KUHTZSAEOMBWQA-CABCVRRESA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2O[C@H](C)CC)C1 ZINC001015775113 1338305371 /nfs/dbraw/zinc/30/53/71/1338305371.db2.gz KUHTZSAEOMBWQA-CABCVRRESA-N 1 2 336.863 3.421 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)cs1 ZINC001015851936 1338334232 /nfs/dbraw/zinc/33/42/32/1338334232.db2.gz NPLGRVJXLJWYIP-INIZCTEOSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)cs1 ZINC001015851936 1338334234 /nfs/dbraw/zinc/33/42/34/1338334234.db2.gz NPLGRVJXLJWYIP-INIZCTEOSA-N 1 2 343.427 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(OC)c(C3CC3)c2)C1 ZINC001015916442 1338357331 /nfs/dbraw/zinc/35/73/31/1338357331.db2.gz LCLDAUIVVYEWFH-HNNXBMFYSA-N 1 2 334.847 3.129 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(OC)c(C3CC3)c2)C1 ZINC001015916442 1338357333 /nfs/dbraw/zinc/35/73/33/1338357333.db2.gz LCLDAUIVVYEWFH-HNNXBMFYSA-N 1 2 334.847 3.129 20 30 EGEDLO CCc1oc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)cc1C ZINC001015984269 1338392255 /nfs/dbraw/zinc/39/22/55/1338392255.db2.gz JRKPKTSHOITLDB-CYBMUJFWSA-N 1 2 343.452 3.088 20 30 EGEDLO CCc1oc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)cc1C ZINC001015984269 1338392259 /nfs/dbraw/zinc/39/22/59/1338392259.db2.gz JRKPKTSHOITLDB-CYBMUJFWSA-N 1 2 343.452 3.088 20 30 EGEDLO CCc1oc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)cc1C ZINC001015982813 1338392284 /nfs/dbraw/zinc/39/22/84/1338392284.db2.gz VLZRISSUZKZRHT-GOSISDBHSA-N 1 2 336.435 3.006 20 30 EGEDLO CCc1oc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)cc1C ZINC001015982813 1338392286 /nfs/dbraw/zinc/39/22/86/1338392286.db2.gz VLZRISSUZKZRHT-GOSISDBHSA-N 1 2 336.435 3.006 20 30 EGEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1occ2c1CCCC2 ZINC001016110477 1338466702 /nfs/dbraw/zinc/46/67/02/1338466702.db2.gz UNUAUKXRPURZMV-LJQANCHMSA-N 1 2 348.446 3.014 20 30 EGEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1occ2c1CCCC2 ZINC001016110477 1338466703 /nfs/dbraw/zinc/46/67/03/1338466703.db2.gz UNUAUKXRPURZMV-LJQANCHMSA-N 1 2 348.446 3.014 20 30 EGEDLO CC1(C)CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001016375725 1338578519 /nfs/dbraw/zinc/57/85/19/1338578519.db2.gz YGEDRHTXSQSOIV-MOPGFXCFSA-N 1 2 339.483 3.465 20 30 EGEDLO CC1(C)CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001016375725 1338578521 /nfs/dbraw/zinc/57/85/21/1338578521.db2.gz YGEDRHTXSQSOIV-MOPGFXCFSA-N 1 2 339.483 3.465 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCCC23CC3)c1 ZINC001017659302 1339385731 /nfs/dbraw/zinc/38/57/31/1339385731.db2.gz QWBBWQXBPJCMTE-ZCNNSNEGSA-N 1 2 349.478 3.314 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCCC23CC3)c1 ZINC001017659302 1339385736 /nfs/dbraw/zinc/38/57/36/1339385736.db2.gz QWBBWQXBPJCMTE-ZCNNSNEGSA-N 1 2 349.478 3.314 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(Cl)oc2ccccc21 ZINC001017836214 1339428812 /nfs/dbraw/zinc/42/88/12/1339428812.db2.gz ZBUBIVWYSOEYDU-OKILXGFUSA-N 1 2 342.826 3.398 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(Cl)oc2ccccc21 ZINC001017836214 1339428815 /nfs/dbraw/zinc/42/88/15/1339428815.db2.gz ZBUBIVWYSOEYDU-OKILXGFUSA-N 1 2 342.826 3.398 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OCC(C)C)c1 ZINC001018252360 1339549987 /nfs/dbraw/zinc/54/99/87/1339549987.db2.gz UMQLVPBBAWQREF-KDURUIRLSA-N 1 2 340.467 3.034 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OCC(C)C)c1 ZINC001018252360 1339549991 /nfs/dbraw/zinc/54/99/91/1339549991.db2.gz UMQLVPBBAWQREF-KDURUIRLSA-N 1 2 340.467 3.034 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC(c2cccc(F)c2)C1 ZINC001018342344 1339585248 /nfs/dbraw/zinc/58/52/48/1339585248.db2.gz OBNFNNJOIUPFMS-HCABLIJQSA-N 1 2 340.442 3.018 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC(c2cccc(F)c2)C1 ZINC001018342344 1339585251 /nfs/dbraw/zinc/58/52/51/1339585251.db2.gz OBNFNNJOIUPFMS-HCABLIJQSA-N 1 2 340.442 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(F)c(F)c1F ZINC001028107370 1340431235 /nfs/dbraw/zinc/43/12/35/1340431235.db2.gz POAMQEWRZJXUDV-JTQLQIEISA-N 1 2 332.753 3.051 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(F)c(F)c1F ZINC001028107370 1340431238 /nfs/dbraw/zinc/43/12/38/1340431238.db2.gz POAMQEWRZJXUDV-JTQLQIEISA-N 1 2 332.753 3.051 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccn(C(C)C)n2)CC1 ZINC001028116201 1340437315 /nfs/dbraw/zinc/43/73/15/1340437315.db2.gz DMAIMNXVJGJHNS-LJQANCHMSA-N 1 2 344.503 3.291 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccn(C(C)C)n2)CC1 ZINC001028116201 1340437318 /nfs/dbraw/zinc/43/73/18/1340437318.db2.gz DMAIMNXVJGJHNS-LJQANCHMSA-N 1 2 344.503 3.291 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N2CC=CC2)cc1 ZINC001028134840 1340449296 /nfs/dbraw/zinc/44/92/96/1340449296.db2.gz GFKKBTPCGQKHKC-GOSISDBHSA-N 1 2 345.874 3.010 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(N2CC=CC2)cc1 ZINC001028134840 1340449298 /nfs/dbraw/zinc/44/92/98/1340449298.db2.gz GFKKBTPCGQKHKC-GOSISDBHSA-N 1 2 345.874 3.010 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC001028190179 1340476077 /nfs/dbraw/zinc/47/60/77/1340476077.db2.gz OYWKMWKYNYPVJF-RYQLBKOJSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC001028190179 1340476080 /nfs/dbraw/zinc/47/60/80/1340476080.db2.gz OYWKMWKYNYPVJF-RYQLBKOJSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(-c2cnco2)c1 ZINC001028236091 1340497946 /nfs/dbraw/zinc/49/79/46/1340497946.db2.gz IDJDYJIHRCNIIT-INIZCTEOSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc(-c2cnco2)c1 ZINC001028236091 1340497948 /nfs/dbraw/zinc/49/79/48/1340497948.db2.gz IDJDYJIHRCNIIT-INIZCTEOSA-N 1 2 345.830 3.288 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C/C(Cl)=C/Cl)C2)cc1 ZINC001028730434 1340778906 /nfs/dbraw/zinc/77/89/06/1340778906.db2.gz IRJRLICSNTXFAI-CIKBWMHTSA-N 1 2 337.250 3.039 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C/C(Cl)=C/Cl)C2)cc1 ZINC001028730434 1340778909 /nfs/dbraw/zinc/77/89/09/1340778909.db2.gz IRJRLICSNTXFAI-CIKBWMHTSA-N 1 2 337.250 3.039 20 30 EGEDLO CCC(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001029218123 1340956906 /nfs/dbraw/zinc/95/69/06/1340956906.db2.gz DGJLREYKPMGKLH-KDURUIRLSA-N 1 2 325.456 3.170 20 30 EGEDLO CCC(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001029218123 1340956907 /nfs/dbraw/zinc/95/69/07/1340956907.db2.gz DGJLREYKPMGKLH-KDURUIRLSA-N 1 2 325.456 3.170 20 30 EGEDLO CC[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001029217030 1340957143 /nfs/dbraw/zinc/95/71/43/1340957143.db2.gz FCHNKBCPHNSZNE-ZYSHUDEJSA-N 1 2 344.886 3.413 20 30 EGEDLO CC[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001029217030 1340957144 /nfs/dbraw/zinc/95/71/44/1340957144.db2.gz FCHNKBCPHNSZNE-ZYSHUDEJSA-N 1 2 344.886 3.413 20 30 EGEDLO Cc1cc(C)c(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccc(C#N)c2)o1 ZINC001029261224 1340963045 /nfs/dbraw/zinc/96/30/45/1340963045.db2.gz GOGPBHMNYCCIGT-KDURUIRLSA-N 1 2 349.434 3.257 20 30 EGEDLO Cc1cc(C)c(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccc(C#N)c2)o1 ZINC001029261224 1340963046 /nfs/dbraw/zinc/96/30/46/1340963046.db2.gz GOGPBHMNYCCIGT-KDURUIRLSA-N 1 2 349.434 3.257 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1cnc(C)cn1 ZINC001029454274 1340993673 /nfs/dbraw/zinc/99/36/73/1340993673.db2.gz XKCQWHHETXEIQN-WWNBULGVSA-N 1 2 342.487 3.124 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1cnc(C)cn1 ZINC001029454274 1340993675 /nfs/dbraw/zinc/99/36/75/1340993675.db2.gz XKCQWHHETXEIQN-WWNBULGVSA-N 1 2 342.487 3.124 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2C#N)CC1 ZINC001029455249 1340994029 /nfs/dbraw/zinc/99/40/29/1340994029.db2.gz XJCIZGCCIPGJEQ-OYRHEFFESA-N 1 2 349.478 3.480 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2C#N)CC1 ZINC001029455249 1340994030 /nfs/dbraw/zinc/99/40/30/1340994030.db2.gz XJCIZGCCIPGJEQ-OYRHEFFESA-N 1 2 349.478 3.480 20 30 EGEDLO CC(C)[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1F ZINC001029499327 1341001305 /nfs/dbraw/zinc/00/13/05/1341001305.db2.gz GGQMSXIKHSVZKJ-JCGIZDLHSA-N 1 2 343.446 3.165 20 30 EGEDLO CC(C)[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1F ZINC001029499327 1341001306 /nfs/dbraw/zinc/00/13/06/1341001306.db2.gz GGQMSXIKHSVZKJ-JCGIZDLHSA-N 1 2 343.446 3.165 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC(C[N@H+](C)[C@@H](C)c2noc(C)n2)CC1 ZINC001029990367 1341148228 /nfs/dbraw/zinc/14/82/28/1341148228.db2.gz KFLAFQVZFJYYBT-IFXJQAMLSA-N 1 2 348.491 3.212 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC(C[N@@H+](C)[C@@H](C)c2noc(C)n2)CC1 ZINC001029990367 1341148230 /nfs/dbraw/zinc/14/82/30/1341148230.db2.gz KFLAFQVZFJYYBT-IFXJQAMLSA-N 1 2 348.491 3.212 20 30 EGEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)C3CCCCCC3)C2)c(F)c1 ZINC001031575858 1341371147 /nfs/dbraw/zinc/37/11/47/1341371147.db2.gz KJTUYEMEJUQFFK-UHFFFAOYSA-N 1 2 343.446 3.216 20 30 EGEDLO Cc1scc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)c1C ZINC001031694885 1341389699 /nfs/dbraw/zinc/38/96/99/1341389699.db2.gz JVOJKTZGMKPMDZ-UHFFFAOYSA-N 1 2 338.476 3.078 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC001031829979 1341408365 /nfs/dbraw/zinc/40/83/65/1341408365.db2.gz JYFPZMVCYHRSEA-UHFFFAOYSA-N 1 2 340.854 3.353 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001031912202 1341420297 /nfs/dbraw/zinc/42/02/97/1341420297.db2.gz PYTXMSWXPNIBEC-SFHVURJKSA-N 1 2 344.886 3.176 20 30 EGEDLO C[C@H]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031942187 1341427961 /nfs/dbraw/zinc/42/79/61/1341427961.db2.gz XSTBXADPUWEWDO-KSSFIOAISA-N 1 2 343.446 3.072 20 30 EGEDLO CC[C@@H]1CCC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031953378 1341430983 /nfs/dbraw/zinc/43/09/83/1341430983.db2.gz JHOZCKMYOABWKA-UYAOXDASSA-N 1 2 342.458 3.052 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)C1 ZINC001032036778 1341443388 /nfs/dbraw/zinc/44/33/88/1341443388.db2.gz XCFOUWBDDFYXKF-ZWKOTPCHSA-N 1 2 332.875 3.207 20 30 EGEDLO Cc1ccc(C)c(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)c1 ZINC001032151845 1341465294 /nfs/dbraw/zinc/46/52/94/1341465294.db2.gz XVGBZELLFJZQMN-UHFFFAOYSA-N 1 2 332.447 3.017 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1oc(C(C)C)nc1C ZINC001032606567 1341556354 /nfs/dbraw/zinc/55/63/54/1341556354.db2.gz WMOFWWPBCAKILO-TWOQFEAHSA-N 1 2 345.487 3.494 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1oc(C(C)C)nc1C ZINC001032606567 1341556355 /nfs/dbraw/zinc/55/63/55/1341556355.db2.gz WMOFWWPBCAKILO-TWOQFEAHSA-N 1 2 345.487 3.494 20 30 EGEDLO CCc1cc(C)c(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)o1 ZINC001032734662 1341595026 /nfs/dbraw/zinc/59/50/26/1341595026.db2.gz WBVZBOWBQKSMHB-ROUUACIJSA-N 1 2 349.434 3.121 20 30 EGEDLO CCc1cc(C)c(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)o1 ZINC001032734662 1341595027 /nfs/dbraw/zinc/59/50/27/1341595027.db2.gz WBVZBOWBQKSMHB-ROUUACIJSA-N 1 2 349.434 3.121 20 30 EGEDLO CN(C(=O)C1CC=CC1)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001032978558 1341683197 /nfs/dbraw/zinc/68/31/97/1341683197.db2.gz WTHQDBLXPWWDNA-SFHVURJKSA-N 1 2 342.870 3.190 20 30 EGEDLO CN(C(=O)C1CC=CC1)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001032978558 1341683201 /nfs/dbraw/zinc/68/32/01/1341683201.db2.gz WTHQDBLXPWWDNA-SFHVURJKSA-N 1 2 342.870 3.190 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001032986992 1341686166 /nfs/dbraw/zinc/68/61/66/1341686166.db2.gz JTOFZSNMUMZVQD-GFCCVEGCSA-N 1 2 343.309 3.110 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001032986992 1341686167 /nfs/dbraw/zinc/68/61/67/1341686167.db2.gz JTOFZSNMUMZVQD-GFCCVEGCSA-N 1 2 343.309 3.110 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2cncc3ccccc32)C1 ZINC001033166451 1341743003 /nfs/dbraw/zinc/74/30/03/1341743003.db2.gz UPJDNLWDMKDYCP-QGZVFWFLSA-N 1 2 343.858 3.063 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cncc3ccccc32)C1 ZINC001033166451 1341743004 /nfs/dbraw/zinc/74/30/04/1341743004.db2.gz UPJDNLWDMKDYCP-QGZVFWFLSA-N 1 2 343.858 3.063 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2ccc3cccnc3c2)C1 ZINC001033190452 1341748231 /nfs/dbraw/zinc/74/82/31/1341748231.db2.gz HXEJIIVVLKSGOG-KRWDZBQOSA-N 1 2 343.858 3.063 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc3cccnc3c2)C1 ZINC001033190452 1341748234 /nfs/dbraw/zinc/74/82/34/1341748234.db2.gz HXEJIIVVLKSGOG-KRWDZBQOSA-N 1 2 343.858 3.063 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnc3ccccc3c2C)C1 ZINC001033274185 1341765703 /nfs/dbraw/zinc/76/57/03/1341765703.db2.gz DHSHEVWDNIDPCZ-HNNXBMFYSA-N 1 2 343.858 3.442 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnc3ccccc3c2C)C1 ZINC001033274185 1341765704 /nfs/dbraw/zinc/76/57/04/1341765704.db2.gz DHSHEVWDNIDPCZ-HNNXBMFYSA-N 1 2 343.858 3.442 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)C2CCC2)C1 ZINC001033310852 1341776639 /nfs/dbraw/zinc/77/66/39/1341776639.db2.gz XXOFGKRYMDERHO-CQSZACIVSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)C2CCC2)C1 ZINC001033310852 1341776644 /nfs/dbraw/zinc/77/66/44/1341776644.db2.gz XXOFGKRYMDERHO-CQSZACIVSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(F)cc2Cl)C1 ZINC001033382050 1341803878 /nfs/dbraw/zinc/80/38/78/1341803878.db2.gz BSDWWOKTOBFXGR-CQSZACIVSA-N 1 2 345.245 3.307 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(F)cc2Cl)C1 ZINC001033382050 1341803879 /nfs/dbraw/zinc/80/38/79/1341803879.db2.gz BSDWWOKTOBFXGR-CQSZACIVSA-N 1 2 345.245 3.307 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@H]2CC[N@@H+](Cc3csc(CC)n3)C2)CC1 ZINC001033392606 1341810278 /nfs/dbraw/zinc/81/02/78/1341810278.db2.gz BLWNCXXFTJVJGR-KRWDZBQOSA-N 1 2 347.528 3.485 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@H]2CC[N@H+](Cc3csc(CC)n3)C2)CC1 ZINC001033392606 1341810280 /nfs/dbraw/zinc/81/02/80/1341810280.db2.gz BLWNCXXFTJVJGR-KRWDZBQOSA-N 1 2 347.528 3.485 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH]c3ccc(F)cc23)C1 ZINC001033457167 1341832345 /nfs/dbraw/zinc/83/23/45/1341832345.db2.gz SLCVQRGCWFCIQY-HNNXBMFYSA-N 1 2 349.837 3.135 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH]c3ccc(F)cc23)C1 ZINC001033457167 1341832346 /nfs/dbraw/zinc/83/23/46/1341832346.db2.gz SLCVQRGCWFCIQY-HNNXBMFYSA-N 1 2 349.837 3.135 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C)n(CC3CC3)c2C)C1 ZINC001033592939 1341888456 /nfs/dbraw/zinc/88/84/56/1341888456.db2.gz JYEJDZANDPTJQO-QGZVFWFLSA-N 1 2 349.906 3.414 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)n(CC3CC3)c2C)C1 ZINC001033592939 1341888457 /nfs/dbraw/zinc/88/84/57/1341888457.db2.gz JYEJDZANDPTJQO-QGZVFWFLSA-N 1 2 349.906 3.414 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2c(F)cccc2Cl)C1 ZINC001033604170 1341895306 /nfs/dbraw/zinc/89/53/06/1341895306.db2.gz CCPUFLJFZSFDQS-LLVKDONJSA-N 1 2 331.218 3.378 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c(F)cccc2Cl)C1 ZINC001033604170 1341895308 /nfs/dbraw/zinc/89/53/08/1341895308.db2.gz CCPUFLJFZSFDQS-LLVKDONJSA-N 1 2 331.218 3.378 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCc3ccccc3C2)C1 ZINC001033616674 1341904280 /nfs/dbraw/zinc/90/42/80/1341904280.db2.gz JJLNQMMWFOGDRE-APWZRJJASA-N 1 2 346.902 3.467 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCc3ccccc3C2)C1 ZINC001033616674 1341904282 /nfs/dbraw/zinc/90/42/82/1341904282.db2.gz JJLNQMMWFOGDRE-APWZRJJASA-N 1 2 346.902 3.467 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001033678867 1341946159 /nfs/dbraw/zinc/94/61/59/1341946159.db2.gz IRPIPAMSJYHTSS-GXTWGEPZSA-N 1 2 342.817 3.354 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001033678867 1341946161 /nfs/dbraw/zinc/94/61/61/1341946161.db2.gz IRPIPAMSJYHTSS-GXTWGEPZSA-N 1 2 342.817 3.354 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(N(C)CC)cc2)C1 ZINC001033703030 1341967785 /nfs/dbraw/zinc/96/77/85/1341967785.db2.gz UFMALYZVXHQETQ-QGZVFWFLSA-N 1 2 335.879 3.042 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(N(C)CC)cc2)C1 ZINC001033703030 1341967787 /nfs/dbraw/zinc/96/77/87/1341967787.db2.gz UFMALYZVXHQETQ-QGZVFWFLSA-N 1 2 335.879 3.042 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C(F)F)nc2)C1 ZINC001033847434 1342042494 /nfs/dbraw/zinc/04/24/94/1342042494.db2.gz IFFIDDQVDYTFKD-CYBMUJFWSA-N 1 2 343.805 3.308 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C(F)F)nc2)C1 ZINC001033847434 1342042497 /nfs/dbraw/zinc/04/24/97/1342042497.db2.gz IFFIDDQVDYTFKD-CYBMUJFWSA-N 1 2 343.805 3.308 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001075094652 1356301211 /nfs/dbraw/zinc/30/12/11/1356301211.db2.gz BQDZGAJPLFZLRW-DOTOQJQBSA-N 1 2 343.471 3.082 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc3ccccn3c2)C1 ZINC001033977027 1342125750 /nfs/dbraw/zinc/12/57/50/1342125750.db2.gz OQMSDJKEWWAHQJ-KRWDZBQOSA-N 1 2 331.847 3.228 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc3ccccn3c2)C1 ZINC001033977027 1342125753 /nfs/dbraw/zinc/12/57/53/1342125753.db2.gz OQMSDJKEWWAHQJ-KRWDZBQOSA-N 1 2 331.847 3.228 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc3c2ccn3C)C1 ZINC001033991460 1342134176 /nfs/dbraw/zinc/13/41/76/1342134176.db2.gz INNRYIMVKWTRBG-OAHLLOKOSA-N 1 2 345.874 3.467 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc3c2ccn3C)C1 ZINC001033991460 1342134182 /nfs/dbraw/zinc/13/41/82/1342134182.db2.gz INNRYIMVKWTRBG-OAHLLOKOSA-N 1 2 345.874 3.467 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C)c(F)cc3F)[C@@H]2C1 ZINC001075931502 1356447242 /nfs/dbraw/zinc/44/72/42/1356447242.db2.gz ADSIBXBQUWRMIJ-BLLLJJGKSA-N 1 2 340.801 3.172 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C)c(F)cc3F)[C@@H]2C1 ZINC001075931502 1356447246 /nfs/dbraw/zinc/44/72/46/1356447246.db2.gz ADSIBXBQUWRMIJ-BLLLJJGKSA-N 1 2 340.801 3.172 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cccc3c2CCC3)C1 ZINC001034050963 1342192677 /nfs/dbraw/zinc/19/26/77/1342192677.db2.gz KAOYFXUXWOXLOB-INIZCTEOSA-N 1 2 332.875 3.464 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc3c2CCC3)C1 ZINC001034050963 1342192681 /nfs/dbraw/zinc/19/26/81/1342192681.db2.gz KAOYFXUXWOXLOB-INIZCTEOSA-N 1 2 332.875 3.464 20 30 EGEDLO CC1(C(=O)N[C@@H]2CCCC[N@H+](CC#Cc3ccccc3Cl)C2)CC1 ZINC001034220540 1342326148 /nfs/dbraw/zinc/32/61/48/1342326148.db2.gz AUZRYQBFNZSXKN-QGZVFWFLSA-N 1 2 344.886 3.462 20 30 EGEDLO CC1(C(=O)N[C@@H]2CCCC[N@@H+](CC#Cc3ccccc3Cl)C2)CC1 ZINC001034220540 1342326153 /nfs/dbraw/zinc/32/61/53/1342326153.db2.gz AUZRYQBFNZSXKN-QGZVFWFLSA-N 1 2 344.886 3.462 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)Cc1cccc(CC)c1)CC2 ZINC001035734869 1343160356 /nfs/dbraw/zinc/16/03/56/1343160356.db2.gz LNHWBSBEGPJYLP-UHFFFAOYSA-N 1 2 346.902 3.468 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC2(C[NH+](Cc3nc(C)cs3)C2)CC1 ZINC001035761724 1343175389 /nfs/dbraw/zinc/17/53/89/1343175389.db2.gz BJTSVAPKKCALOX-UHFFFAOYSA-N 1 2 347.528 3.478 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccn(CC)c1C)CC2 ZINC001035773883 1343185224 /nfs/dbraw/zinc/18/52/24/1343185224.db2.gz FYQGQSJEUIDOGV-UHFFFAOYSA-N 1 2 335.879 3.107 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccc(C3CC3)cn1)CC2 ZINC001035844489 1343225973 /nfs/dbraw/zinc/22/59/73/1343225973.db2.gz JAHWYBPIZDMNCB-UHFFFAOYSA-N 1 2 345.874 3.250 20 30 EGEDLO CCCc1ccc(C(=O)NC[C@H]2CC[N@@H+]2CC#Cc2ccccc2)cc1 ZINC001038652186 1344523555 /nfs/dbraw/zinc/52/35/55/1344523555.db2.gz RYRYFGHPDRLGDA-JOCHJYFZSA-N 1 2 346.474 3.495 20 30 EGEDLO CCCc1ccc(C(=O)NC[C@H]2CC[N@H+]2CC#Cc2ccccc2)cc1 ZINC001038652186 1344523559 /nfs/dbraw/zinc/52/35/59/1344523559.db2.gz RYRYFGHPDRLGDA-JOCHJYFZSA-N 1 2 346.474 3.495 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+]2CCc2c(F)cccc2F)CC1 ZINC001038666680 1344530690 /nfs/dbraw/zinc/53/06/90/1344530690.db2.gz IPTPBTFWAYXFMH-INIZCTEOSA-N 1 2 348.437 3.444 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCc2c(F)cccc2F)CC1 ZINC001038666680 1344530693 /nfs/dbraw/zinc/53/06/93/1344530693.db2.gz IPTPBTFWAYXFMH-INIZCTEOSA-N 1 2 348.437 3.444 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2csc(Cl)c2)c1 ZINC001038778152 1344580991 /nfs/dbraw/zinc/58/09/91/1344580991.db2.gz VTCLTBXQAXFYHV-OAHLLOKOSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2csc(Cl)c2)c1 ZINC001038778152 1344580992 /nfs/dbraw/zinc/58/09/92/1344580992.db2.gz VTCLTBXQAXFYHV-OAHLLOKOSA-N 1 2 345.855 3.277 20 30 EGEDLO CCc1cc(C)c(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)o1 ZINC001038924498 1344656158 /nfs/dbraw/zinc/65/61/58/1344656158.db2.gz YSJOSYSJZOSNEU-KRWDZBQOSA-N 1 2 337.423 3.026 20 30 EGEDLO CCc1cc(C)c(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)o1 ZINC001038924498 1344656163 /nfs/dbraw/zinc/65/61/63/1344656163.db2.gz YSJOSYSJZOSNEU-KRWDZBQOSA-N 1 2 337.423 3.026 20 30 EGEDLO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2CC#Cc2ccccc2)c(C)c1 ZINC001038982382 1344695763 /nfs/dbraw/zinc/69/57/63/1344695763.db2.gz MLWZQCQMAMRMGF-HXUWFJFHSA-N 1 2 332.447 3.159 20 30 EGEDLO Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2CC#Cc2ccccc2)c(C)c1 ZINC001038982382 1344695767 /nfs/dbraw/zinc/69/57/67/1344695767.db2.gz MLWZQCQMAMRMGF-HXUWFJFHSA-N 1 2 332.447 3.159 20 30 EGEDLO C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001039131449 1344809786 /nfs/dbraw/zinc/80/97/86/1344809786.db2.gz MLAYQIVRRGOOAZ-KBPBESRZSA-N 1 2 336.373 3.023 20 30 EGEDLO C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001039131449 1344809791 /nfs/dbraw/zinc/80/97/91/1344809791.db2.gz MLAYQIVRRGOOAZ-KBPBESRZSA-N 1 2 336.373 3.023 20 30 EGEDLO C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](F)C(F)(F)F)CC2)C1 ZINC001039131449 1344809795 /nfs/dbraw/zinc/80/97/95/1344809795.db2.gz MLAYQIVRRGOOAZ-KBPBESRZSA-N 1 2 336.373 3.023 20 30 EGEDLO C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](F)C(F)(F)F)CC2)C1 ZINC001039131449 1344809797 /nfs/dbraw/zinc/80/97/97/1344809797.db2.gz MLAYQIVRRGOOAZ-KBPBESRZSA-N 1 2 336.373 3.023 20 30 EGEDLO C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(F)C(F)(F)F ZINC001039275776 1344993025 /nfs/dbraw/zinc/99/30/25/1344993025.db2.gz BNXABPZMPUTJCC-YATPEIPISA-N 1 2 342.764 3.141 20 30 EGEDLO C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](F)C(F)(F)F ZINC001039275776 1344993028 /nfs/dbraw/zinc/99/30/28/1344993028.db2.gz BNXABPZMPUTJCC-YATPEIPISA-N 1 2 342.764 3.141 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(CCC)c1 ZINC001039389697 1345040275 /nfs/dbraw/zinc/04/02/75/1345040275.db2.gz HAWMGLAEVHMZHN-MSOLQXFVSA-N 1 2 347.890 3.466 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(CCC)c1 ZINC001039389697 1345040277 /nfs/dbraw/zinc/04/02/77/1345040277.db2.gz HAWMGLAEVHMZHN-MSOLQXFVSA-N 1 2 347.890 3.466 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC(C)(C)CO1 ZINC001039403706 1345049297 /nfs/dbraw/zinc/04/92/97/1345049297.db2.gz KQUCXMRLIGYOQK-OWCLPIDISA-N 1 2 340.895 3.009 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC(C)(C)CO1 ZINC001039403706 1345049301 /nfs/dbraw/zinc/04/93/01/1345049301.db2.gz KQUCXMRLIGYOQK-OWCLPIDISA-N 1 2 340.895 3.009 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1ccco1 ZINC001039450667 1345074266 /nfs/dbraw/zinc/07/42/66/1345074266.db2.gz NIEYZZLYRPMDBN-BMFZPTHFSA-N 1 2 336.863 3.276 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1ccco1 ZINC001039450667 1345074267 /nfs/dbraw/zinc/07/42/67/1345074267.db2.gz NIEYZZLYRPMDBN-BMFZPTHFSA-N 1 2 336.863 3.276 20 30 EGEDLO Cc1ccoc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1 ZINC001039512462 1345123511 /nfs/dbraw/zinc/12/35/11/1345123511.db2.gz QJENDGXBYDKTPQ-KDURUIRLSA-N 1 2 349.434 3.339 20 30 EGEDLO Cc1ccoc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1 ZINC001039512462 1345123516 /nfs/dbraw/zinc/12/35/16/1345123516.db2.gz QJENDGXBYDKTPQ-KDURUIRLSA-N 1 2 349.434 3.339 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccn1 ZINC001039822298 1345199657 /nfs/dbraw/zinc/19/96/57/1345199657.db2.gz DZSGUOUSHAVWTQ-HDICACEKSA-N 1 2 327.472 3.249 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccn1 ZINC001039822298 1345199661 /nfs/dbraw/zinc/19/96/61/1345199661.db2.gz DZSGUOUSHAVWTQ-HDICACEKSA-N 1 2 327.472 3.249 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](C)[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001039889592 1345231870 /nfs/dbraw/zinc/23/18/70/1345231870.db2.gz DXAJOLQZMBGGHG-GOEBONIOSA-N 1 2 330.476 3.284 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3ncc(C(C)C)o3)[C@@H]2C1 ZINC001042181083 1345969297 /nfs/dbraw/zinc/96/92/97/1345969297.db2.gz CTYOHBHSXMASGK-JKSUJKDBSA-N 1 2 345.487 3.433 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3ncc(C(C)C)o3)[C@@H]2C1 ZINC001042181083 1345969299 /nfs/dbraw/zinc/96/92/99/1345969299.db2.gz CTYOHBHSXMASGK-JKSUJKDBSA-N 1 2 345.487 3.433 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3ncc(C4CC4)o3)[C@@H]2C1 ZINC001042187479 1345974388 /nfs/dbraw/zinc/97/43/88/1345974388.db2.gz MYAKSGMHEGSEMJ-GOEBONIOSA-N 1 2 343.471 3.187 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3ncc(C4CC4)o3)[C@@H]2C1 ZINC001042187479 1345974389 /nfs/dbraw/zinc/97/43/89/1345974389.db2.gz MYAKSGMHEGSEMJ-GOEBONIOSA-N 1 2 343.471 3.187 20 30 EGEDLO C[C@]1(NC(=O)c2cccs2)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046115685 1346853492 /nfs/dbraw/zinc/85/34/92/1346853492.db2.gz MKUROLKOGFVWTL-SFHVURJKSA-N 1 2 325.437 3.014 20 30 EGEDLO C[C@]1(NC(=O)c2cccs2)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046115685 1346853494 /nfs/dbraw/zinc/85/34/94/1346853494.db2.gz MKUROLKOGFVWTL-SFHVURJKSA-N 1 2 325.437 3.014 20 30 EGEDLO CC1(C)C[C@H]1C(=O)N[C@]1(C)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001046245885 1346907905 /nfs/dbraw/zinc/90/79/05/1346907905.db2.gz ARPIJLJOIZGITH-OXJNMPFZSA-N 1 2 344.886 3.318 20 30 EGEDLO CC1(C)C[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001046245885 1346907907 /nfs/dbraw/zinc/90/79/07/1346907907.db2.gz ARPIJLJOIZGITH-OXJNMPFZSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)C2=CCCCCC2)C1 ZINC001046265094 1346914285 /nfs/dbraw/zinc/91/42/85/1346914285.db2.gz RPTQUXDUZICYSL-INIZCTEOSA-N 1 2 341.293 3.366 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)C2=CCCCCC2)C1 ZINC001046265094 1346914289 /nfs/dbraw/zinc/91/42/89/1346914289.db2.gz RPTQUXDUZICYSL-INIZCTEOSA-N 1 2 341.293 3.366 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ocnc2-c2ccccc2)C1 ZINC001046369591 1346952329 /nfs/dbraw/zinc/95/23/29/1346952329.db2.gz VZTOVZILCSCAOC-GOSISDBHSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ocnc2-c2ccccc2)C1 ZINC001046369591 1346952331 /nfs/dbraw/zinc/95/23/31/1346952331.db2.gz VZTOVZILCSCAOC-GOSISDBHSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(-c3ccncc3)o2)C1 ZINC001046373847 1346953317 /nfs/dbraw/zinc/95/33/17/1346953317.db2.gz FCFVYYNWIVMKIQ-GOSISDBHSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(-c3ccncc3)o2)C1 ZINC001046373847 1346953319 /nfs/dbraw/zinc/95/33/19/1346953319.db2.gz FCFVYYNWIVMKIQ-GOSISDBHSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnn(C(C)C)c2Cl)C1 ZINC001046518137 1347001963 /nfs/dbraw/zinc/00/19/63/1347001963.db2.gz JAMIVLJMGCDDHJ-OAHLLOKOSA-N 1 2 345.274 3.064 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnn(C(C)C)c2Cl)C1 ZINC001046518137 1347001966 /nfs/dbraw/zinc/00/19/66/1347001966.db2.gz JAMIVLJMGCDDHJ-OAHLLOKOSA-N 1 2 345.274 3.064 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)C2CCC(=C)CC2)C1 ZINC001046594869 1347031232 /nfs/dbraw/zinc/03/12/32/1347031232.db2.gz QRUJZVPMEPTZSE-MRXNPFEDSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)C2CCC(=C)CC2)C1 ZINC001046594869 1347031234 /nfs/dbraw/zinc/03/12/34/1347031234.db2.gz QRUJZVPMEPTZSE-MRXNPFEDSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001046655750 1347051372 /nfs/dbraw/zinc/05/13/72/1347051372.db2.gz AGJYYMIIXZMIAA-IEBWSBKVSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001046655750 1347051374 /nfs/dbraw/zinc/05/13/74/1347051374.db2.gz AGJYYMIIXZMIAA-IEBWSBKVSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc3ccccc3n2)C1 ZINC001046792672 1347105614 /nfs/dbraw/zinc/10/56/14/1347105614.db2.gz XEZPKFXXZONSOV-SFHVURJKSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc3ccccc3n2)C1 ZINC001046792672 1347105617 /nfs/dbraw/zinc/10/56/17/1347105617.db2.gz XEZPKFXXZONSOV-SFHVURJKSA-N 1 2 329.831 3.182 20 30 EGEDLO C=CC[NH+]1CCC([C@H]2CCCN(C(=O)C(F)C(F)(F)F)C2)CC1 ZINC001047240490 1347266335 /nfs/dbraw/zinc/26/63/35/1347266335.db2.gz DLQCEIDVUSPTNH-KBPBESRZSA-N 1 2 336.373 3.023 20 30 EGEDLO C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](F)C(F)(F)F)C2)CC1 ZINC001047240490 1347266337 /nfs/dbraw/zinc/26/63/37/1347266337.db2.gz DLQCEIDVUSPTNH-KBPBESRZSA-N 1 2 336.373 3.023 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CCC1 ZINC001049277909 1347765707 /nfs/dbraw/zinc/76/57/07/1347765707.db2.gz YJZDULKXWYCXNK-MOPGFXCFSA-N 1 2 341.430 3.063 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CCC1 ZINC001049277909 1347765709 /nfs/dbraw/zinc/76/57/09/1347765709.db2.gz YJZDULKXWYCXNK-MOPGFXCFSA-N 1 2 341.430 3.063 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC(C)C1 ZINC001049405121 1347828455 /nfs/dbraw/zinc/82/84/55/1347828455.db2.gz GTXHCDVYDXJYDV-UZVIJOLCSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC(C)C1 ZINC001049405121 1347828456 /nfs/dbraw/zinc/82/84/56/1347828456.db2.gz GTXHCDVYDXJYDV-UZVIJOLCSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc2ncccc2o1 ZINC001049602375 1347931834 /nfs/dbraw/zinc/93/18/34/1347931834.db2.gz MVOIZOTYIWJAPM-HUUCEWRRSA-N 1 2 345.830 3.259 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc2ncccc2o1 ZINC001049602375 1347931837 /nfs/dbraw/zinc/93/18/37/1347931837.db2.gz MVOIZOTYIWJAPM-HUUCEWRRSA-N 1 2 345.830 3.259 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1occ2c1CCC2 ZINC001049617724 1347936969 /nfs/dbraw/zinc/93/69/69/1347936969.db2.gz KXEOZOPHSNFPOA-HZPDHXFCSA-N 1 2 334.847 3.200 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1occ2c1CCC2 ZINC001049617724 1347936971 /nfs/dbraw/zinc/93/69/71/1347936971.db2.gz KXEOZOPHSNFPOA-HZPDHXFCSA-N 1 2 334.847 3.200 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ncoc2-c2ccccc2)C1 ZINC001079806644 1357387521 /nfs/dbraw/zinc/38/75/21/1357387521.db2.gz QKICIXGTXHOBTP-IUODEOHRSA-N 1 2 345.830 3.144 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ncoc2-c2ccccc2)C1 ZINC001079806644 1357387523 /nfs/dbraw/zinc/38/75/23/1357387523.db2.gz QKICIXGTXHOBTP-IUODEOHRSA-N 1 2 345.830 3.144 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001051042727 1348386103 /nfs/dbraw/zinc/38/61/03/1348386103.db2.gz HHYVBEKPCDWYNH-QGZVFWFLSA-N 1 2 336.520 3.232 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001051042727 1348386106 /nfs/dbraw/zinc/38/61/06/1348386106.db2.gz HHYVBEKPCDWYNH-QGZVFWFLSA-N 1 2 336.520 3.232 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)c3cscn3)cccc2C1 ZINC001051279442 1348415498 /nfs/dbraw/zinc/41/54/98/1348415498.db2.gz ABVHWFWGIZFGLA-UHFFFAOYSA-N 1 2 347.871 3.184 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)c3cscn3)cccc2C1 ZINC001051279442 1348415499 /nfs/dbraw/zinc/41/54/99/1348415499.db2.gz ABVHWFWGIZFGLA-UHFFFAOYSA-N 1 2 347.871 3.184 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)c3cncs3)cccc2C1 ZINC001051283215 1348417372 /nfs/dbraw/zinc/41/73/72/1348417372.db2.gz FRCMVRQQMMDUPT-UHFFFAOYSA-N 1 2 347.871 3.184 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)c3cncs3)cccc2C1 ZINC001051283215 1348417373 /nfs/dbraw/zinc/41/73/73/1348417373.db2.gz FRCMVRQQMMDUPT-UHFFFAOYSA-N 1 2 347.871 3.184 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+]([C@H](C)c3noc(C)n3)CC2)CC1 ZINC001052681934 1348629050 /nfs/dbraw/zinc/62/90/50/1348629050.db2.gz KBJMXAXEHYLWMC-PBHICJAKSA-N 1 2 346.475 3.156 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@H+]([C@H](C)c3noc(C)n3)CC2)CC1 ZINC001052681934 1348629052 /nfs/dbraw/zinc/62/90/52/1348629052.db2.gz KBJMXAXEHYLWMC-PBHICJAKSA-N 1 2 346.475 3.156 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc(-c3ccccc3)o2)C1 ZINC001079908128 1357420454 /nfs/dbraw/zinc/42/04/54/1357420454.db2.gz KNZZAXWKKNKTFM-IUODEOHRSA-N 1 2 345.830 3.144 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc(-c3ccccc3)o2)C1 ZINC001079908128 1357420458 /nfs/dbraw/zinc/42/04/58/1357420458.db2.gz KNZZAXWKKNKTFM-IUODEOHRSA-N 1 2 345.830 3.144 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCOC2(C[NH+](CC3=CCCCC3)C2)C1 ZINC001053409207 1349023274 /nfs/dbraw/zinc/02/32/74/1349023274.db2.gz YWLVYOUZKJJLDZ-IBGZPJMESA-N 1 2 332.488 3.002 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](CC1CCCC1)C(C)C)CCO2 ZINC001053457287 1349037288 /nfs/dbraw/zinc/03/72/88/1349037288.db2.gz YRDDXAYHGLUSNU-IBGZPJMESA-N 1 2 348.531 3.328 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001079963493 1357440227 /nfs/dbraw/zinc/44/02/27/1357440227.db2.gz FOCNQAQVVCVTTG-FSPWUOQZSA-N 1 2 332.875 3.296 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001079963493 1357440229 /nfs/dbraw/zinc/44/02/29/1357440229.db2.gz FOCNQAQVVCVTTG-FSPWUOQZSA-N 1 2 332.875 3.296 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001079963494 1357440437 /nfs/dbraw/zinc/44/04/37/1357440437.db2.gz FOCNQAQVVCVTTG-JEBQAFNWSA-N 1 2 332.875 3.296 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001079963494 1357440440 /nfs/dbraw/zinc/44/04/40/1357440440.db2.gz FOCNQAQVVCVTTG-JEBQAFNWSA-N 1 2 332.875 3.296 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCC(C)(C)C1)O2 ZINC001053701770 1349099059 /nfs/dbraw/zinc/09/90/59/1349099059.db2.gz FKYZQGVLXABJOR-IAGOWNOFSA-N 1 2 334.504 3.129 20 30 EGEDLO C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccoc1Cl ZINC001054039174 1349134504 /nfs/dbraw/zinc/13/45/04/1349134504.db2.gz VGFMLWYQTFBCRY-HNNXBMFYSA-N 1 2 330.815 3.276 20 30 EGEDLO C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccoc1Cl ZINC001054039174 1349134506 /nfs/dbraw/zinc/13/45/06/1349134506.db2.gz VGFMLWYQTFBCRY-HNNXBMFYSA-N 1 2 330.815 3.276 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001054041269 1349136839 /nfs/dbraw/zinc/13/68/39/1349136839.db2.gz HPJSAZGWUZDWPI-SLFFLAALSA-N 1 2 338.495 3.235 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001054041269 1349136841 /nfs/dbraw/zinc/13/68/41/1349136841.db2.gz HPJSAZGWUZDWPI-SLFFLAALSA-N 1 2 338.495 3.235 20 30 EGEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](CC(=C)Cl)C[C@H]1C ZINC001079977656 1357447310 /nfs/dbraw/zinc/44/73/10/1357447310.db2.gz CZXVGIZWYQSAFN-CZUORRHYSA-N 1 2 334.847 3.054 20 30 EGEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@H+](CC(=C)Cl)C[C@H]1C ZINC001079977656 1357447313 /nfs/dbraw/zinc/44/73/13/1357447313.db2.gz CZXVGIZWYQSAFN-CZUORRHYSA-N 1 2 334.847 3.054 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3cc(C)ccc3n2)C1 ZINC001080093348 1357481601 /nfs/dbraw/zinc/48/16/01/1357481601.db2.gz CGIMWEBPCPJJSS-FZKQIMNGSA-N 1 2 343.858 3.346 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3cc(C)ccc3n2)C1 ZINC001080093348 1357481603 /nfs/dbraw/zinc/48/16/03/1357481603.db2.gz CGIMWEBPCPJJSS-FZKQIMNGSA-N 1 2 343.858 3.346 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001057225708 1350002125 /nfs/dbraw/zinc/00/21/25/1350002125.db2.gz XNBVOFCCXNEDKR-HXUWFJFHSA-N 1 2 342.487 3.303 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC([C@@H](C)Nc2cc[nH+]c(C)n2)CC1 ZINC001061878281 1351387579 /nfs/dbraw/zinc/38/75/79/1351387579.db2.gz LTWRRRASZSSDMW-AUUYWEPGSA-N 1 2 330.476 3.426 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(C1)CCCN(c1cc[nH+]c(C)n1)C2 ZINC001064567766 1352628695 /nfs/dbraw/zinc/62/86/95/1352628695.db2.gz WWWJNLJQFRKZFZ-PMACEKPBSA-N 1 2 342.487 3.206 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H]([C@@H](C)Nc3cc[nH+]c(C)n3)C2)CC1 ZINC001065760658 1352852060 /nfs/dbraw/zinc/85/20/60/1352852060.db2.gz BBJCSXVFVNXTRW-PBHICJAKSA-N 1 2 328.460 3.180 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(C)CCCc3ccccc32)C1 ZINC001080622266 1357702932 /nfs/dbraw/zinc/70/29/32/1357702932.db2.gz LSDBKZUNSIRQMT-DJKXOVBDSA-N 1 2 346.902 3.470 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(C)CCCc3ccccc32)C1 ZINC001080622266 1357702935 /nfs/dbraw/zinc/70/29/35/1357702935.db2.gz LSDBKZUNSIRQMT-DJKXOVBDSA-N 1 2 346.902 3.470 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CCC(C)=C(C)C3)c2C1 ZINC001069861547 1354290026 /nfs/dbraw/zinc/29/00/26/1354290026.db2.gz VWQUVTYQBXWFES-QGZVFWFLSA-N 1 2 342.487 3.028 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CCC(C)=C(C)C3)c2C1 ZINC001069861547 1354290031 /nfs/dbraw/zinc/29/00/31/1354290031.db2.gz VWQUVTYQBXWFES-QGZVFWFLSA-N 1 2 342.487 3.028 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)C2CCCC2)CC[C@@H]1C ZINC001071294723 1354546949 /nfs/dbraw/zinc/54/69/49/1354546949.db2.gz XCNOVJZVSRMDTP-GXTWGEPZSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)C2CCCC2)CC[C@@H]1C ZINC001071294723 1354546952 /nfs/dbraw/zinc/54/69/52/1354546952.db2.gz XCNOVJZVSRMDTP-GXTWGEPZSA-N 1 2 329.282 3.054 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C2CCCC2)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC001071293207 1354542806 /nfs/dbraw/zinc/54/28/06/1354542806.db2.gz BJVKLFWEAJUPCN-KBXCAEBGSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C2CCCC2)C[N@H+]1Cc1cc(C#N)ccc1F ZINC001071293207 1354542808 /nfs/dbraw/zinc/54/28/08/1354542808.db2.gz BJVKLFWEAJUPCN-KBXCAEBGSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)c2cccs2)C[N@@H+]1CC#Cc1ccccc1 ZINC001071327066 1354591415 /nfs/dbraw/zinc/59/14/15/1354591415.db2.gz JTOVEUIAXRYOQD-AEFFLSMTSA-N 1 2 338.476 3.383 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)c2cccs2)C[N@H+]1CC#Cc1ccccc1 ZINC001071327066 1354591419 /nfs/dbraw/zinc/59/14/19/1354591419.db2.gz JTOVEUIAXRYOQD-AEFFLSMTSA-N 1 2 338.476 3.383 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)c2ccoc2)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC001071350710 1354619311 /nfs/dbraw/zinc/61/93/11/1354619311.db2.gz YXLNIYUWZZTQMI-CXAGYDPISA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)c2ccoc2)C[N@H+]1Cc1cc(C#N)ccc1F ZINC001071350710 1354619324 /nfs/dbraw/zinc/61/93/24/1354619324.db2.gz YXLNIYUWZZTQMI-CXAGYDPISA-N 1 2 341.386 3.073 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc(F)ccc2F)CC[C@@H]1C ZINC001071569255 1354770100 /nfs/dbraw/zinc/77/01/00/1354770100.db2.gz XMLXJYMZRIPCMG-AAEUAGOBSA-N 1 2 328.790 3.300 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc(F)ccc2F)CC[C@@H]1C ZINC001071569255 1354770105 /nfs/dbraw/zinc/77/01/05/1354770105.db2.gz XMLXJYMZRIPCMG-AAEUAGOBSA-N 1 2 328.790 3.300 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3cccc(OC)c32)[C@H]1C ZINC001088905050 1360100250 /nfs/dbraw/zinc/10/02/50/1360100250.db2.gz GVDQVWPZTJASOY-KBMXLJTQSA-N 1 2 348.874 3.057 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3cccc(OC)c32)[C@H]1C ZINC001088905050 1360100253 /nfs/dbraw/zinc/10/02/53/1360100253.db2.gz GVDQVWPZTJASOY-KBMXLJTQSA-N 1 2 348.874 3.057 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc(C)ccc2OC)CC[C@H]1C ZINC001071658613 1354831778 /nfs/dbraw/zinc/83/17/78/1354831778.db2.gz FRWFMMCKVWOHRI-CABCVRRESA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc(C)ccc2OC)CC[C@H]1C ZINC001071658613 1354831783 /nfs/dbraw/zinc/83/17/83/1354831783.db2.gz FRWFMMCKVWOHRI-CABCVRRESA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc3c(cn2)CCCC3)CC[C@@H]1C ZINC001071665738 1354837681 /nfs/dbraw/zinc/83/76/81/1354837681.db2.gz HMJSLZNQZHPVCV-YOEHRIQHSA-N 1 2 347.890 3.296 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc3c(cn2)CCCC3)CC[C@@H]1C ZINC001071665738 1354837686 /nfs/dbraw/zinc/83/76/86/1354837686.db2.gz HMJSLZNQZHPVCV-YOEHRIQHSA-N 1 2 347.890 3.296 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc3c(c2)CCOC3)CC[C@@H]1C ZINC001071678879 1354845990 /nfs/dbraw/zinc/84/59/90/1354845990.db2.gz HHIAVKQNDYIYKO-KBXCAEBGSA-N 1 2 348.874 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc3c(c2)CCOC3)CC[C@@H]1C ZINC001071678879 1354845996 /nfs/dbraw/zinc/84/59/96/1354845996.db2.gz HHIAVKQNDYIYKO-KBXCAEBGSA-N 1 2 348.874 3.095 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3ccn(C(C)C)n3)C2)C1 ZINC001071804294 1354948061 /nfs/dbraw/zinc/94/80/61/1354948061.db2.gz ZRGCPFFPDHQSQX-SJORKVTESA-N 1 2 344.503 3.289 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3ccn(C(C)C)n3)C2)C1 ZINC001071804294 1354948064 /nfs/dbraw/zinc/94/80/64/1354948064.db2.gz ZRGCPFFPDHQSQX-SJORKVTESA-N 1 2 344.503 3.289 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3cncc(F)c3)C2)C1 ZINC001071807467 1354951294 /nfs/dbraw/zinc/95/12/94/1354951294.db2.gz SNWHTWKDCUJTIS-PBHICJAKSA-N 1 2 331.435 3.046 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3cncc(F)c3)C2)C1 ZINC001071807467 1354951303 /nfs/dbraw/zinc/95/13/03/1354951303.db2.gz SNWHTWKDCUJTIS-PBHICJAKSA-N 1 2 331.435 3.046 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3nc(C)oc3C)C2)C1 ZINC001071807354 1354952049 /nfs/dbraw/zinc/95/20/49/1354952049.db2.gz QYPMZYZBWMTTKL-XJKSGUPXSA-N 1 2 331.460 3.117 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3nc(C)oc3C)C2)C1 ZINC001071807354 1354952057 /nfs/dbraw/zinc/95/20/57/1354952057.db2.gz QYPMZYZBWMTTKL-XJKSGUPXSA-N 1 2 331.460 3.117 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cccc(OC)c2C)CC[C@H]1C ZINC001071855461 1354984212 /nfs/dbraw/zinc/98/42/12/1354984212.db2.gz PZPPKNNICUHQPB-UKRRQHHQSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccc(OC)c2C)CC[C@H]1C ZINC001071855461 1354984213 /nfs/dbraw/zinc/98/42/13/1354984213.db2.gz PZPPKNNICUHQPB-UKRRQHHQSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[N@H+](Cc1csc(C)n1)C2 ZINC001072951668 1355518088 /nfs/dbraw/zinc/51/80/88/1355518088.db2.gz PKWMNKKBRCCKQO-KRWDZBQOSA-N 1 2 333.501 3.088 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+](Cc1csc(C)n1)C2 ZINC001072951668 1355518090 /nfs/dbraw/zinc/51/80/90/1355518090.db2.gz PKWMNKKBRCCKQO-KRWDZBQOSA-N 1 2 333.501 3.088 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3ccccc3n2)C1 ZINC001080829750 1357746289 /nfs/dbraw/zinc/74/62/89/1357746289.db2.gz QJCRAADUQMACJV-SJKOYZFVSA-N 1 2 329.831 3.037 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3ccccc3n2)C1 ZINC001080829750 1357746294 /nfs/dbraw/zinc/74/62/94/1357746294.db2.gz QJCRAADUQMACJV-SJKOYZFVSA-N 1 2 329.831 3.037 20 30 EGEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(CCC)s3)C[C@H]21 ZINC001074255734 1356145233 /nfs/dbraw/zinc/14/52/33/1356145233.db2.gz IZHPLSOWNTZZHZ-SJORKVTESA-N 1 2 348.512 3.192 20 30 EGEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(CCC)s3)C[C@H]21 ZINC001074255734 1356145234 /nfs/dbraw/zinc/14/52/34/1356145234.db2.gz IZHPLSOWNTZZHZ-SJORKVTESA-N 1 2 348.512 3.192 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2OCC[N@H+](CC3=CCCCC3)[C@@H]2C1 ZINC001074314839 1356164882 /nfs/dbraw/zinc/16/48/82/1356164882.db2.gz LOWOZNWXPLYBQQ-RTBURBONSA-N 1 2 346.515 3.391 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2OCC[N@@H+](CC3=CCCCC3)[C@@H]2C1 ZINC001074314839 1356164884 /nfs/dbraw/zinc/16/48/84/1356164884.db2.gz LOWOZNWXPLYBQQ-RTBURBONSA-N 1 2 346.515 3.391 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc(C(C)C)c3)C[C@H]21 ZINC001074377737 1356188830 /nfs/dbraw/zinc/18/88/30/1356188830.db2.gz QCGNSSJRIYKEIG-UXHICEINSA-N 1 2 342.483 3.301 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc(C(C)C)c3)C[C@H]21 ZINC001074377737 1356188832 /nfs/dbraw/zinc/18/88/32/1356188832.db2.gz QCGNSSJRIYKEIG-UXHICEINSA-N 1 2 342.483 3.301 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CC[C@H](CC)CC3)C[C@H]21 ZINC001074387104 1356189637 /nfs/dbraw/zinc/18/96/37/1356189637.db2.gz FETMULVFZAQAMY-NCXUSEDFSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CC[C@H](CC)CC3)C[C@H]21 ZINC001074387104 1356189639 /nfs/dbraw/zinc/18/96/39/1356189639.db2.gz FETMULVFZAQAMY-NCXUSEDFSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001098081387 1363217452 /nfs/dbraw/zinc/21/74/52/1363217452.db2.gz JDALSEFTPUONAC-LLVKDONJSA-N 1 2 336.867 3.358 20 30 EGEDLO Cc1nn(C)c2sc(C(=O)/C=C\c3ccc[nH+]c3N(C)C)cc12 ZINC001323087700 1387285983 /nfs/dbraw/zinc/28/59/83/1387285983.db2.gz MVELVENNOVPEQK-FPLPWBNLSA-N 1 2 326.425 3.300 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1cc(C)on1 ZINC001099029189 1363584304 /nfs/dbraw/zinc/58/43/04/1363584304.db2.gz VJTSHGJJTDNOTF-SFHVURJKSA-N 1 2 345.487 3.283 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1cc(C)on1 ZINC001099029189 1363584312 /nfs/dbraw/zinc/58/43/12/1363584312.db2.gz VJTSHGJJTDNOTF-SFHVURJKSA-N 1 2 345.487 3.283 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001077719449 1356826888 /nfs/dbraw/zinc/82/68/88/1356826888.db2.gz IRMNZDCFQVKRSS-AWEZNQCLSA-N 1 2 345.487 3.234 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001077774611 1356839007 /nfs/dbraw/zinc/83/90/07/1356839007.db2.gz JCJOXKSKPAWPOP-GJZGRUSLSA-N 1 2 345.487 3.234 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001078219238 1356925180 /nfs/dbraw/zinc/92/51/80/1356925180.db2.gz UXVZISMQEFUMDP-VBKZILBWSA-N 1 2 345.487 3.234 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(Cl)ccc2OC)C1 ZINC001080889209 1357760531 /nfs/dbraw/zinc/76/05/31/1357760531.db2.gz SSFNYXOQJNDSME-QMTHXVAHSA-N 1 2 343.254 3.151 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(Cl)ccc2OC)C1 ZINC001080889209 1357760535 /nfs/dbraw/zinc/76/05/35/1357760535.db2.gz SSFNYXOQJNDSME-QMTHXVAHSA-N 1 2 343.254 3.151 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccc(F)cc2F)C1 ZINC001080972358 1357772211 /nfs/dbraw/zinc/77/22/11/1357772211.db2.gz IIZVBSNCKKINNK-NSODJVPESA-N 1 2 342.817 3.257 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccc(F)cc2F)C1 ZINC001080972358 1357772216 /nfs/dbraw/zinc/77/22/16/1357772216.db2.gz IIZVBSNCKKINNK-NSODJVPESA-N 1 2 342.817 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(N(C)CCC)cc2)C1 ZINC001081046564 1357797251 /nfs/dbraw/zinc/79/72/51/1357797251.db2.gz PDYUIJUKPVZLIN-RDTXWAMCSA-N 1 2 349.906 3.335 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(N(C)CCC)cc2)C1 ZINC001081046564 1357797254 /nfs/dbraw/zinc/79/72/54/1357797254.db2.gz PDYUIJUKPVZLIN-RDTXWAMCSA-N 1 2 349.906 3.335 20 30 EGEDLO C=CCCC(=O)N1CCCC[C@H]1CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001081946577 1357900423 /nfs/dbraw/zinc/90/04/23/1357900423.db2.gz LCPJMNRAEGOLRP-KRWDZBQOSA-N 1 2 343.471 3.084 20 30 EGEDLO CCC(CC)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084199577 1358162140 /nfs/dbraw/zinc/16/21/40/1358162140.db2.gz DLASUTBOIXYADH-RTBURBONSA-N 1 2 325.456 3.027 20 30 EGEDLO CCC(CC)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084199577 1358162142 /nfs/dbraw/zinc/16/21/42/1358162142.db2.gz DLASUTBOIXYADH-RTBURBONSA-N 1 2 325.456 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C(F)(F)F)CCC3)[C@@H]2C1 ZINC001084457210 1358219279 /nfs/dbraw/zinc/21/92/79/1358219279.db2.gz JEJBCALAOFNKFX-VXGBXAGGSA-N 1 2 336.785 3.004 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C(F)(F)F)CCC3)[C@@H]2C1 ZINC001084457210 1358219283 /nfs/dbraw/zinc/21/92/83/1358219283.db2.gz JEJBCALAOFNKFX-VXGBXAGGSA-N 1 2 336.785 3.004 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(Cl)cc3)[C@@H]2C1 ZINC001084788764 1358309532 /nfs/dbraw/zinc/30/95/32/1358309532.db2.gz ACYWOJOSMFPZPM-UKRRQHHQSA-N 1 2 325.239 3.239 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(Cl)cc3)[C@@H]2C1 ZINC001084788764 1358309534 /nfs/dbraw/zinc/30/95/34/1358309534.db2.gz ACYWOJOSMFPZPM-UKRRQHHQSA-N 1 2 325.239 3.239 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001085532775 1358569939 /nfs/dbraw/zinc/56/99/39/1358569939.db2.gz VAVMDJJJTFSKDZ-ZRNYENFQSA-N 1 2 337.467 3.027 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001085532775 1358569945 /nfs/dbraw/zinc/56/99/45/1358569945.db2.gz VAVMDJJJTFSKDZ-ZRNYENFQSA-N 1 2 337.467 3.027 20 30 EGEDLO CCc1occc1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001085571563 1358603465 /nfs/dbraw/zinc/60/34/65/1358603465.db2.gz GSJSFRSHSSDYRT-ZDUSSCGKSA-N 1 2 343.452 3.122 20 30 EGEDLO CCc1occc1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001085571563 1358603480 /nfs/dbraw/zinc/60/34/80/1358603480.db2.gz GSJSFRSHSSDYRT-ZDUSSCGKSA-N 1 2 343.452 3.122 20 30 EGEDLO C=CCOc1ccccc1C(=O)N(C)C[C@@H]1CC[N@@H+]1C/C=C/Cl ZINC001085678236 1358681447 /nfs/dbraw/zinc/68/14/47/1358681447.db2.gz DUQNWPTYJFUOMW-WGPYJDKQSA-N 1 2 334.847 3.150 20 30 EGEDLO C=CCOc1ccccc1C(=O)N(C)C[C@@H]1CC[N@H+]1C/C=C/Cl ZINC001085678236 1358681451 /nfs/dbraw/zinc/68/14/51/1358681451.db2.gz DUQNWPTYJFUOMW-WGPYJDKQSA-N 1 2 334.847 3.150 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCCC(F)(F)F)[C@H]1C ZINC001332206176 1390043210 /nfs/dbraw/zinc/04/32/10/1390043210.db2.gz NKLTYABSQNFJQI-VXGBXAGGSA-N 1 2 326.790 3.441 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1CCCC1(C)C ZINC001085774183 1358745912 /nfs/dbraw/zinc/74/59/12/1358745912.db2.gz ZUZFAEIDIYRAGN-OALUTQOASA-N 1 2 339.483 3.417 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1CCCC1(C)C ZINC001085774183 1358745917 /nfs/dbraw/zinc/74/59/17/1358745917.db2.gz ZUZFAEIDIYRAGN-OALUTQOASA-N 1 2 339.483 3.417 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@H]1CCC1(C)C ZINC001085774995 1358746997 /nfs/dbraw/zinc/74/69/97/1358746997.db2.gz NMZCFCJFOQKSBB-XJKSGUPXSA-N 1 2 331.485 3.089 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@H]1CCC1(C)C ZINC001085774995 1358746999 /nfs/dbraw/zinc/74/69/99/1358746999.db2.gz NMZCFCJFOQKSBB-XJKSGUPXSA-N 1 2 331.485 3.089 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1CCC1(C)C ZINC001085774992 1358747603 /nfs/dbraw/zinc/74/76/03/1358747603.db2.gz NMZCFCJFOQKSBB-BBRMVZONSA-N 1 2 331.485 3.089 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1CCC1(C)C ZINC001085774992 1358747605 /nfs/dbraw/zinc/74/76/05/1358747605.db2.gz NMZCFCJFOQKSBB-BBRMVZONSA-N 1 2 331.485 3.089 20 30 EGEDLO CC1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)C1 ZINC001183828654 1387354848 /nfs/dbraw/zinc/35/48/48/1387354848.db2.gz KZXMTQMCAJQGDS-PPSBMQLTSA-N 1 2 325.456 3.170 20 30 EGEDLO CC1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)C1 ZINC001183828654 1387354853 /nfs/dbraw/zinc/35/48/53/1387354853.db2.gz KZXMTQMCAJQGDS-PPSBMQLTSA-N 1 2 325.456 3.170 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@@]12C[C@@H]1CCCC2 ZINC001085807432 1358785389 /nfs/dbraw/zinc/78/53/89/1358785389.db2.gz HYFQYJZAIONLHB-DOXZYTNZSA-N 1 2 343.496 3.233 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@@]12C[C@@H]1CCCC2 ZINC001085807432 1358785392 /nfs/dbraw/zinc/78/53/92/1358785392.db2.gz HYFQYJZAIONLHB-DOXZYTNZSA-N 1 2 343.496 3.233 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@H]1CC12CCCC2 ZINC001085909460 1358869641 /nfs/dbraw/zinc/86/96/41/1358869641.db2.gz JYNSVQIATMPYPN-RHSMWYFYSA-N 1 2 343.496 3.233 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@H]1CC12CCCC2 ZINC001085909460 1358869646 /nfs/dbraw/zinc/86/96/46/1358869646.db2.gz JYNSVQIATMPYPN-RHSMWYFYSA-N 1 2 343.496 3.233 20 30 EGEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1oc2ccccc2c1Cl ZINC001085922784 1358881287 /nfs/dbraw/zinc/88/12/87/1358881287.db2.gz KEOFWPRIZDBYRF-ZDUSSCGKSA-N 1 2 330.815 3.256 20 30 EGEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1oc2ccccc2c1Cl ZINC001085922784 1358881289 /nfs/dbraw/zinc/88/12/89/1358881289.db2.gz KEOFWPRIZDBYRF-ZDUSSCGKSA-N 1 2 330.815 3.256 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccccc2C#N)CC1 ZINC001085935804 1358890398 /nfs/dbraw/zinc/89/03/98/1358890398.db2.gz OPKFVDBBDRGHHQ-MBOZVWFJSA-N 1 2 339.483 3.417 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccccc2C#N)CC1 ZINC001085935804 1358890401 /nfs/dbraw/zinc/89/04/01/1358890401.db2.gz OPKFVDBBDRGHHQ-MBOZVWFJSA-N 1 2 339.483 3.417 20 30 EGEDLO Cc1[nH]c2ccc(C#N)cc2c1CC(=O)Nc1cccc2[nH+]ccn21 ZINC001183884092 1387366102 /nfs/dbraw/zinc/36/61/02/1387366102.db2.gz USWVCWWMASTTGX-UHFFFAOYSA-N 1 2 329.363 3.177 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(C)=O)C1 ZINC001087470186 1359480548 /nfs/dbraw/zinc/48/05/48/1359480548.db2.gz RDIJGJQUQKWGDQ-ROUUACIJSA-N 1 2 336.863 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(C)=O)C1 ZINC001087470186 1359480550 /nfs/dbraw/zinc/48/05/50/1359480550.db2.gz RDIJGJQUQKWGDQ-ROUUACIJSA-N 1 2 336.863 3.132 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCCCC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001088374204 1359855752 /nfs/dbraw/zinc/85/57/52/1359855752.db2.gz AZEPVNCBSNSOGB-YOEHRIQHSA-N 1 2 336.505 3.001 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCCCC[C@H]([NH2+]Cc2noc(CC)n2)C1 ZINC001088374630 1359856438 /nfs/dbraw/zinc/85/64/38/1359856438.db2.gz MQYOQPIJBOCNSN-KXBFYZLASA-N 1 2 348.491 3.095 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC001088380825 1359864041 /nfs/dbraw/zinc/86/40/41/1359864041.db2.gz PZPRBERVARESFF-LLVKDONJSA-N 1 2 346.809 3.074 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3cc(C)ccc3n2)[C@H]1C ZINC001088730619 1360023512 /nfs/dbraw/zinc/02/35/12/1360023512.db2.gz LDDPWBPCHHOHIS-ZBFHGGJFSA-N 1 2 343.858 3.488 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3cc(C)ccc3n2)[C@H]1C ZINC001088730619 1360023515 /nfs/dbraw/zinc/02/35/15/1360023515.db2.gz LDDPWBPCHHOHIS-ZBFHGGJFSA-N 1 2 343.858 3.488 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)c2c(F)cccc2F)[C@H]1C ZINC001088748403 1360029660 /nfs/dbraw/zinc/02/96/60/1360029660.db2.gz DDWLNTZCQBBEKB-JMSVASOKSA-N 1 2 342.817 3.400 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2c(F)cccc2F)[C@H]1C ZINC001088748403 1360029662 /nfs/dbraw/zinc/02/96/62/1360029662.db2.gz DDWLNTZCQBBEKB-JMSVASOKSA-N 1 2 342.817 3.400 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3ccc(OC)cc3[nH]2)[C@H]1C ZINC001088786744 1360045082 /nfs/dbraw/zinc/04/50/82/1360045082.db2.gz XETACTGLXNPAPH-DOMZBBRYSA-N 1 2 347.846 3.122 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3ccc(OC)cc3[nH]2)[C@H]1C ZINC001088786744 1360045084 /nfs/dbraw/zinc/04/50/84/1360045084.db2.gz XETACTGLXNPAPH-DOMZBBRYSA-N 1 2 347.846 3.122 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2CCC=CCC2)[C@H]1C ZINC001089045282 1360145888 /nfs/dbraw/zinc/14/58/88/1360145888.db2.gz IWNVBUCGOQEPQC-HIFRSBDPSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(F)cccc2Cl)[C@H]1C ZINC001088998940 1360131803 /nfs/dbraw/zinc/13/18/03/1360131803.db2.gz XXZFIWJZRVTGDV-MFKMUULPSA-N 1 2 331.218 3.424 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(F)cccc2Cl)[C@H]1C ZINC001088998940 1360131806 /nfs/dbraw/zinc/13/18/06/1360131806.db2.gz XXZFIWJZRVTGDV-MFKMUULPSA-N 1 2 331.218 3.424 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3ncsc3c2)[C@H]1C ZINC001089019783 1360139028 /nfs/dbraw/zinc/13/90/28/1360139028.db2.gz CRIXKJVCCDLNIU-YPMHNXCESA-N 1 2 335.860 3.241 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3ncsc3c2)[C@H]1C ZINC001089019783 1360139031 /nfs/dbraw/zinc/13/90/31/1360139031.db2.gz CRIXKJVCCDLNIU-YPMHNXCESA-N 1 2 335.860 3.241 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2CCC=CCC2)[C@H]1C ZINC001089045282 1360145887 /nfs/dbraw/zinc/14/58/87/1360145887.db2.gz IWNVBUCGOQEPQC-HIFRSBDPSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)N(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001089149991 1360205569 /nfs/dbraw/zinc/20/55/69/1360205569.db2.gz NHGMZWINXLAQJW-WBVHZDCISA-N 1 2 342.487 3.492 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cncc(F)c1 ZINC001089625764 1360543991 /nfs/dbraw/zinc/54/39/91/1360543991.db2.gz RCTQAGQMMKCQBS-OAHLLOKOSA-N 1 2 339.842 3.194 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cncc(F)c1 ZINC001089625764 1360543992 /nfs/dbraw/zinc/54/39/92/1360543992.db2.gz RCTQAGQMMKCQBS-OAHLLOKOSA-N 1 2 339.842 3.194 20 30 EGEDLO C=CCOCC(=O)N[C@H](C)CCCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001090046852 1360801352 /nfs/dbraw/zinc/80/13/52/1360801352.db2.gz JSDUOCYTNGTRIR-OAHLLOKOSA-N 1 2 348.491 3.198 20 30 EGEDLO C#CCCCCCC(=O)N[C@H](C)CCCCNc1cc[nH+]c(C)n1 ZINC001090134923 1360842984 /nfs/dbraw/zinc/84/29/84/1360842984.db2.gz DNMGDWKYTBHZDY-MRXNPFEDSA-N 1 2 330.476 3.456 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H](CNc2cc[nH+]c(C)n2)[C@H](C)C1 ZINC001090282915 1360886726 /nfs/dbraw/zinc/88/67/26/1360886726.db2.gz YMNSNXTYAZLMKY-GDBMZVCRSA-N 1 2 330.476 3.284 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001090775855 1360935738 /nfs/dbraw/zinc/93/57/38/1360935738.db2.gz USLSDBASJJCJNT-GDBMZVCRSA-N 1 2 330.476 3.206 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCCC[C@H]1Nc1cc[nH+]c(C)n1 ZINC001091278871 1361029879 /nfs/dbraw/zinc/02/98/79/1361029879.db2.gz GWDONFVDDQFNSH-IAGOWNOFSA-N 1 2 328.460 3.393 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091606329 1361157063 /nfs/dbraw/zinc/15/70/63/1361157063.db2.gz CLBZMSMTEGZHHB-DOTOQJQBSA-N 1 2 328.460 3.250 20 30 EGEDLO C#CCCCC(=O)N1CCC[C@@H](C)[C@H]1CCNc1cc[nH+]c(C)n1 ZINC001091659827 1361174626 /nfs/dbraw/zinc/17/46/26/1361174626.db2.gz ZRCXVXJNIZYKFO-NVXWUHKLSA-N 1 2 328.460 3.018 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001092053584 1361284024 /nfs/dbraw/zinc/28/40/24/1361284024.db2.gz YJHAIWLOOVXJKH-ZBFHGGJFSA-N 1 2 328.460 3.102 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)CC(C)(C)C1 ZINC001092089298 1361298772 /nfs/dbraw/zinc/29/87/72/1361298772.db2.gz PWIRXQNVFSQNIJ-MRXNPFEDSA-N 1 2 330.476 3.253 20 30 EGEDLO CC(C)c1cc(NC2CC(CNC(=O)[C@H](C)C#N)C2)nc(C(C)C)[nH+]1 ZINC001092205846 1361323030 /nfs/dbraw/zinc/32/30/30/1361323030.db2.gz LDCOVRAYLCBVJP-WLYUNCDWSA-N 1 2 343.475 3.190 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001092917697 1361487219 /nfs/dbraw/zinc/48/72/19/1361487219.db2.gz HPVHQPBEYXXPQC-YLAKUSLOSA-N 1 2 342.487 3.230 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001093014403 1361508711 /nfs/dbraw/zinc/50/87/11/1361508711.db2.gz BEMCMYXTDAXREH-ZACQAIPSSA-N 1 2 342.487 3.176 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)CCC3CCCC3)CC2)C1 ZINC001093501712 1361630844 /nfs/dbraw/zinc/63/08/44/1361630844.db2.gz OMJMQTFFJQTHFZ-UHFFFAOYSA-N 1 2 334.504 3.225 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cccc(Cl)c3C)CC2)C1 ZINC001093537845 1361636684 /nfs/dbraw/zinc/63/66/84/1361636684.db2.gz NZRWTRLRQFXMGF-UHFFFAOYSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCC[C@@H]3CC)CC2)C1 ZINC001093571001 1361646084 /nfs/dbraw/zinc/64/60/84/1361646084.db2.gz YNGINDIZBRYQGX-QFBILLFUSA-N 1 2 334.504 3.081 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCCC[C@H]3CC)CC2)C1 ZINC001093587615 1361650435 /nfs/dbraw/zinc/65/04/35/1361650435.db2.gz WCOXQMMDKUITJJ-VQIMIIECSA-N 1 2 334.504 3.081 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C3(C4CCCCC4)CC3)CC2)C1 ZINC001093591810 1361651205 /nfs/dbraw/zinc/65/12/05/1361651205.db2.gz QDFUDKXLGLCSLI-UHFFFAOYSA-N 1 2 346.515 3.225 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001095032299 1361992848 /nfs/dbraw/zinc/99/28/48/1361992848.db2.gz NKHKQCIIIXYYJZ-MRXNPFEDSA-N 1 2 328.460 3.115 20 30 EGEDLO C=CC1(CC(=O)N2CCCN(c3cc[nH+]c(C)n3)CC2)CCCCC1 ZINC001095184505 1362045069 /nfs/dbraw/zinc/04/50/69/1362045069.db2.gz UDICVPXBRSTPJA-UHFFFAOYSA-N 1 2 342.487 3.350 20 30 EGEDLO C#CCCCC(=O)N1CCC(CNc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095260939 1362072235 /nfs/dbraw/zinc/07/22/35/1362072235.db2.gz XEHRXXIZEGCMSM-UHFFFAOYSA-N 1 2 340.471 3.116 20 30 EGEDLO C#CCC1(C(=O)N2CCC[C@H](Nc3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001095299795 1362089346 /nfs/dbraw/zinc/08/93/46/1362089346.db2.gz SQEHPMULGQSOLF-KRWDZBQOSA-N 1 2 340.471 3.162 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095376141 1362120155 /nfs/dbraw/zinc/12/01/55/1362120155.db2.gz OAOWGAHVFXHVAL-KBPBESRZSA-N 1 2 344.503 3.193 20 30 EGEDLO C=CC(C)(C)CC(=O)NC1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095431780 1362139233 /nfs/dbraw/zinc/13/92/33/1362139233.db2.gz YRPACNCABKIYSI-UHFFFAOYSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001095712006 1362208919 /nfs/dbraw/zinc/20/89/19/1362208919.db2.gz BPBGMMHRSMTTOQ-HUUCEWRRSA-N 1 2 344.503 3.065 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(C)c(OC)c1)C2 ZINC001095724760 1362213885 /nfs/dbraw/zinc/21/38/85/1362213885.db2.gz LRRPWUYTZMCWQD-IKGGRYGDSA-N 1 2 348.874 3.020 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(C)c(OC)c1)C2 ZINC001095724760 1362213886 /nfs/dbraw/zinc/21/38/86/1362213886.db2.gz LRRPWUYTZMCWQD-IKGGRYGDSA-N 1 2 348.874 3.020 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001095727939 1362214670 /nfs/dbraw/zinc/21/46/70/1362214670.db2.gz JAWYKUYRRADQCE-LJQANCHMSA-N 1 2 332.492 3.453 20 30 EGEDLO C=C(C)CCC(=O)NCCCN(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001095926313 1362290176 /nfs/dbraw/zinc/29/01/76/1362290176.db2.gz VLVSVMWUZTXRCB-UHFFFAOYSA-N 1 2 330.476 3.351 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1F)C2 ZINC001096739713 1362680515 /nfs/dbraw/zinc/68/05/15/1362680515.db2.gz VDPVZCFNWLQXFX-AHRSYUTCSA-N 1 2 349.409 3.233 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1F)C2 ZINC001096739713 1362680517 /nfs/dbraw/zinc/68/05/17/1362680517.db2.gz VDPVZCFNWLQXFX-AHRSYUTCSA-N 1 2 349.409 3.233 20 30 EGEDLO Cc1ccoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001096808428 1362727776 /nfs/dbraw/zinc/72/77/76/1362727776.db2.gz PMVHOMOWJPMPJQ-WQVCFCJDSA-N 1 2 341.436 3.057 20 30 EGEDLO Cc1ccoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001096808428 1362727779 /nfs/dbraw/zinc/72/77/79/1362727779.db2.gz PMVHOMOWJPMPJQ-WQVCFCJDSA-N 1 2 341.436 3.057 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@H](CN(C)c3cc[nH+]c(C)n3)C2)CCC1 ZINC001096874779 1362762257 /nfs/dbraw/zinc/76/22/57/1362762257.db2.gz ASJHWNIFFXOPDT-QGZVFWFLSA-N 1 2 342.487 3.206 20 30 EGEDLO Cc1coc(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001097029263 1362815745 /nfs/dbraw/zinc/81/57/45/1362815745.db2.gz TYWLODGDJYSRLT-AQNXPRMDSA-N 1 2 348.446 3.283 20 30 EGEDLO Cc1coc(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001097029263 1362815751 /nfs/dbraw/zinc/81/57/51/1362815751.db2.gz TYWLODGDJYSRLT-AQNXPRMDSA-N 1 2 348.446 3.283 20 30 EGEDLO C=CC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]c(CC)n1 ZINC001097131280 1362857032 /nfs/dbraw/zinc/85/70/32/1362857032.db2.gz QGNDUJXOSSDOCF-MQVJKMGUSA-N 1 2 342.487 3.176 20 30 EGEDLO C=CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nc(C)[nH+]c(C)c1C ZINC001097132048 1362857771 /nfs/dbraw/zinc/85/77/71/1362857771.db2.gz LDGPNXPDNYNCSQ-AYHJJNSGSA-N 1 2 342.487 3.374 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001097171611 1362873162 /nfs/dbraw/zinc/87/31/62/1362873162.db2.gz YKCFNSCEJCCFPA-IYBDPMFKSA-N 1 2 328.460 3.161 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001097222270 1362892007 /nfs/dbraw/zinc/89/20/07/1362892007.db2.gz OWXFNKFEHMNQRC-GASCZTMLSA-N 1 2 342.487 3.325 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1C[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001097224398 1362892469 /nfs/dbraw/zinc/89/24/69/1362892469.db2.gz LOBVVSBBUQCDFM-GASCZTMLSA-N 1 2 328.460 3.079 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097250256 1362901746 /nfs/dbraw/zinc/90/17/46/1362901746.db2.gz HICNWBFSPLYVLE-KHYOSLBOSA-N 1 2 328.460 3.324 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001097250075 1362901880 /nfs/dbraw/zinc/90/18/80/1362901880.db2.gz BUDNKZNHDOSESJ-MDOVXXIYSA-N 1 2 342.487 3.325 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCCN1c1nc(C)[nH+]c(C)c1C ZINC001097456293 1363001695 /nfs/dbraw/zinc/00/16/95/1363001695.db2.gz SDMDUBJCTBOODB-KRWDZBQOSA-N 1 2 344.503 3.479 20 30 EGEDLO C=CCCC(=O)N1C[C@@H]2CC[C@@H](Nc3cc(C)[nH+]c(C4CC4)n3)[C@@H]2C1 ZINC001097593443 1363063671 /nfs/dbraw/zinc/06/36/71/1363063671.db2.gz MXSBSACTLXTATC-GVDBMIGSSA-N 1 2 340.471 3.278 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cc3ccccc3o1)C2 ZINC001097614093 1363075626 /nfs/dbraw/zinc/07/56/26/1363075626.db2.gz VZDBXMBMIDYOAJ-OIISXLGYSA-N 1 2 344.842 3.449 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cc3ccccc3o1)C2 ZINC001097614093 1363075631 /nfs/dbraw/zinc/07/56/31/1363075631.db2.gz VZDBXMBMIDYOAJ-OIISXLGYSA-N 1 2 344.842 3.449 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3ccccc3n1C)C2 ZINC001097742624 1363112179 /nfs/dbraw/zinc/11/21/79/1363112179.db2.gz ZZVUNWYVTWNZRL-INMHGKMJSA-N 1 2 343.858 3.266 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3ccccc3n1C)C2 ZINC001097742624 1363112183 /nfs/dbraw/zinc/11/21/83/1363112183.db2.gz ZZVUNWYVTWNZRL-INMHGKMJSA-N 1 2 343.858 3.266 20 30 EGEDLO CCCCCCCCC(=O)NC[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC001097831681 1363134469 /nfs/dbraw/zinc/13/44/69/1363134469.db2.gz VSTPOLOFWZQQKR-CQSZACIVSA-N 1 2 346.479 3.031 20 30 EGEDLO Cc1cc(N[C@H](C)CNC(=O)CC#Cc2ccccc2)nc(C2CC2)[nH+]1 ZINC001097877925 1363147661 /nfs/dbraw/zinc/14/76/61/1363147661.db2.gz MHJDTDZLKRKQAW-MRXNPFEDSA-N 1 2 348.450 3.021 20 30 EGEDLO C=CCO[C@@H](C)C(=O)NC[C@H](C)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001097918925 1363166516 /nfs/dbraw/zinc/16/65/16/1363166516.db2.gz CKVHDTHSQCYNSF-GJZGRUSLSA-N 1 2 348.491 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c(C)cccn3c1)C2 ZINC001098206761 1363255802 /nfs/dbraw/zinc/25/58/02/1363255802.db2.gz NJAKCSUZJSMCDX-ZACQAIPSSA-N 1 2 343.858 3.335 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c(C)cccn3c1)C2 ZINC001098206761 1363255805 /nfs/dbraw/zinc/25/58/05/1363255805.db2.gz NJAKCSUZJSMCDX-ZACQAIPSSA-N 1 2 343.858 3.335 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1c(F)cccc1F ZINC001098982566 1363555621 /nfs/dbraw/zinc/55/56/21/1363555621.db2.gz LWWPIFBWSYWOIC-KGLIPLIRSA-N 1 2 349.425 3.231 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1c(F)cccc1F ZINC001098982566 1363555624 /nfs/dbraw/zinc/55/56/24/1363555624.db2.gz LWWPIFBWSYWOIC-KGLIPLIRSA-N 1 2 349.425 3.231 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1cccc(F)c1F ZINC001098984651 1363555874 /nfs/dbraw/zinc/55/58/74/1363555874.db2.gz YSWPPOHNBQZZPP-HIFRSBDPSA-N 1 2 349.425 3.231 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1cccc(F)c1F ZINC001098984651 1363555878 /nfs/dbraw/zinc/55/58/78/1363555878.db2.gz YSWPPOHNBQZZPP-HIFRSBDPSA-N 1 2 349.425 3.231 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccon1 ZINC001099092484 1363617817 /nfs/dbraw/zinc/61/78/17/1363617817.db2.gz FSLXJILGUVCQIF-MRXNPFEDSA-N 1 2 333.476 3.384 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccon1 ZINC001099092484 1363617818 /nfs/dbraw/zinc/61/78/18/1363617818.db2.gz FSLXJILGUVCQIF-MRXNPFEDSA-N 1 2 333.476 3.384 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nonc1C ZINC001099171149 1363669038 /nfs/dbraw/zinc/66/90/38/1363669038.db2.gz NSLVSEYNTVODOQ-HNNXBMFYSA-N 1 2 348.491 3.087 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nonc1C ZINC001099171149 1363669040 /nfs/dbraw/zinc/66/90/40/1363669040.db2.gz NSLVSEYNTVODOQ-HNNXBMFYSA-N 1 2 348.491 3.087 20 30 EGEDLO C#CCCCCCC(=O)NCCN(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001100685310 1364217763 /nfs/dbraw/zinc/21/77/63/1364217763.db2.gz OOSSGJBUEJBBHW-UHFFFAOYSA-N 1 2 342.487 3.189 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H]2CCCN2c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001100904347 1364324071 /nfs/dbraw/zinc/32/40/71/1364324071.db2.gz PNLJSZFRPWPKSW-INIZCTEOSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001101062749 1364397114 /nfs/dbraw/zinc/39/71/14/1364397114.db2.gz LGLWDKPWTJYTKI-HNNXBMFYSA-N 1 2 342.487 3.207 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001101063179 1364397966 /nfs/dbraw/zinc/39/79/66/1364397966.db2.gz UWJIIOPWVRDKHZ-INIZCTEOSA-N 1 2 344.503 3.453 20 30 EGEDLO C#CCCCCC(=O)NCCN(CCC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001101136706 1364426465 /nfs/dbraw/zinc/42/64/65/1364426465.db2.gz MUEBRYANLGFDCA-UHFFFAOYSA-N 1 2 344.503 3.435 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCCN(c1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001101427271 1364558396 /nfs/dbraw/zinc/55/83/96/1364558396.db2.gz RYENSVLEONYRAD-ZFWWWQNUSA-N 1 2 342.487 3.206 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCN(c1nc(C)[nH+]c(C)c1C)C1CC1 ZINC001101435128 1364562245 /nfs/dbraw/zinc/56/22/45/1364562245.db2.gz ZHXQCPUBYIRBHC-LJQANCHMSA-N 1 2 330.476 3.089 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)CCCCCC)c1nccn12 ZINC001101648163 1364670648 /nfs/dbraw/zinc/67/06/48/1364670648.db2.gz VIUFENUPTHREPK-IAGOWNOFSA-N 1 2 344.503 3.248 20 30 EGEDLO Cc1nc(N(CCCNC(=O)C#CC(C)(C)C)C(C)C)c(C)c(C)[nH+]1 ZINC001102107808 1364861513 /nfs/dbraw/zinc/86/15/13/1364861513.db2.gz GNCOQKUIZBFWSB-UHFFFAOYSA-N 1 2 344.503 3.172 20 30 EGEDLO C=C[C@H](CC)CC(=O)N(CCC)[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102256727 1364970261 /nfs/dbraw/zinc/97/02/61/1364970261.db2.gz CTBMFTSSOSGQGX-IAGOWNOFSA-N 1 2 330.476 3.205 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3nc(C(C)C)no3)C2)CC1 ZINC001185424683 1387712689 /nfs/dbraw/zinc/71/26/89/1387712689.db2.gz WMDZTGVXJQCOEW-HUUCEWRRSA-N 1 2 346.475 3.191 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCC[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102378127 1365031075 /nfs/dbraw/zinc/03/10/75/1365031075.db2.gz NSDANOVGRITHQC-RDTXWAMCSA-N 1 2 344.503 3.337 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCC[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102385736 1365035272 /nfs/dbraw/zinc/03/52/72/1365035272.db2.gz NGDAHHOVTAECJL-PXNSSMCTSA-N 1 2 344.503 3.337 20 30 EGEDLO C=CCC1(C(=O)N(C)[C@@H]2CCN(c3nc(C)[nH+]c(C)c3C)C2)CCC1 ZINC001102754952 1365203472 /nfs/dbraw/zinc/20/34/72/1365203472.db2.gz ZRAVCZUOXOLYQB-QGZVFWFLSA-N 1 2 342.487 3.185 20 30 EGEDLO C=C[C@H](CC)CC(=O)N(CC)[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102825234 1365238710 /nfs/dbraw/zinc/23/87/10/1365238710.db2.gz LBAUMHVSBWLWQT-MSOLQXFVSA-N 1 2 344.503 3.431 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CCCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102885665 1365274319 /nfs/dbraw/zinc/27/43/19/1365274319.db2.gz WIDGVAINWRVEJG-INIZCTEOSA-N 1 2 330.476 3.089 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCC[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001102941977 1365306251 /nfs/dbraw/zinc/30/62/51/1365306251.db2.gz QCUHASZBSBSXKQ-LPHOPBHVSA-N 1 2 330.476 3.110 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCC[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001102943581 1365307992 /nfs/dbraw/zinc/30/79/92/1365307992.db2.gz ZCBVQPINRJLZMJ-NVXWUHKLSA-N 1 2 330.476 3.110 20 30 EGEDLO C#CCCCCC(=O)NC[C@H](CC)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001103038231 1365350251 /nfs/dbraw/zinc/35/02/51/1365350251.db2.gz OKUFWOOEQSLMIG-INIZCTEOSA-N 1 2 330.476 3.409 20 30 EGEDLO C=CCC(CC=C)C(=O)NC1(CNc2cc[nH+]c(C)n2)CCCC1 ZINC001103443252 1365563472 /nfs/dbraw/zinc/56/34/72/1365563472.db2.gz JYVDJUBKZBTGNC-UHFFFAOYSA-N 1 2 328.460 3.394 20 30 EGEDLO C=C1CC(C)(C(=O)NCc2ccc(CNc3cc[nH+]c(C)n3)cc2)C1 ZINC001103665294 1365713751 /nfs/dbraw/zinc/71/37/51/1365713751.db2.gz VYBUQWHLWMSVCG-UHFFFAOYSA-N 1 2 336.439 3.370 20 30 EGEDLO C#CCCCC(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001103805349 1365789912 /nfs/dbraw/zinc/78/99/12/1365789912.db2.gz GKJZRDHQZTYTPS-MRXNPFEDSA-N 1 2 328.460 3.115 20 30 EGEDLO C#CCCCCCC(=O)NCC1(Nc2cc[nH+]c(C)n2)CCCC1 ZINC001104419853 1366015998 /nfs/dbraw/zinc/01/59/98/1366015998.db2.gz HEOBZQIOSMGFIE-UHFFFAOYSA-N 1 2 328.460 3.210 20 30 EGEDLO CC(C)c1cc(NC[C@@H](C)N(C)C(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001104554988 1366073371 /nfs/dbraw/zinc/07/33/71/1366073371.db2.gz LCQRAYIUZPDYSU-OAHLLOKOSA-N 1 2 342.487 3.396 20 30 EGEDLO CC#CCCCC(=O)N1CCC[C@H]([C@@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001105081955 1366314645 /nfs/dbraw/zinc/31/46/45/1366314645.db2.gz UFZZKGMDKGTWKB-WBVHZDCISA-N 1 2 328.460 3.018 20 30 EGEDLO C=CCC1(C(=O)N(C)CCN(C)c2cc[nH+]c(C)n2)CCCCC1 ZINC001105409164 1366451885 /nfs/dbraw/zinc/45/18/85/1366451885.db2.gz WXEULWPFANCALS-UHFFFAOYSA-N 1 2 330.476 3.206 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CCCC3CCCC3)CC2)C1 ZINC001105734346 1366589045 /nfs/dbraw/zinc/58/90/45/1366589045.db2.gz NEXGUQGRSWLKNM-UHFFFAOYSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H](C)CCNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001106576357 1366742034 /nfs/dbraw/zinc/74/20/34/1366742034.db2.gz QMUMTLGOPKQWKE-AWEZNQCLSA-N 1 2 342.487 3.327 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC/C=C\CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107463643 1366973713 /nfs/dbraw/zinc/97/37/13/1366973713.db2.gz MVXADGDKQIUWPA-HJWRWDBZSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H](C)CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001109202596 1366999725 /nfs/dbraw/zinc/99/97/25/1366999725.db2.gz HWAJUJHFYYBTOW-CABCVRRESA-N 1 2 330.476 3.206 20 30 EGEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(O)ccc1Cl ZINC001109209383 1367003630 /nfs/dbraw/zinc/00/36/30/1367003630.db2.gz OIPPVQDXPIBSOC-JLSDUUJJSA-N 1 2 346.858 3.071 20 30 EGEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(O)ccc1Cl ZINC001109209383 1367003638 /nfs/dbraw/zinc/00/36/38/1367003638.db2.gz OIPPVQDXPIBSOC-JLSDUUJJSA-N 1 2 346.858 3.071 20 30 EGEDLO C=C1CCC(C(=O)N[C@H](C)CN(C)c2nc(C)[nH+]c(C)c2C)CC1 ZINC001109219607 1367009763 /nfs/dbraw/zinc/00/97/63/1367009763.db2.gz MHKHEVYGFMIITK-CYBMUJFWSA-N 1 2 330.476 3.089 20 30 EGEDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109259573 1367030368 /nfs/dbraw/zinc/03/03/68/1367030368.db2.gz ITUWWEDPSLUQMT-GEAQGZNASA-N 1 2 344.405 3.161 20 30 EGEDLO C[C@H](c1ccc(F)c(F)c1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109259573 1367030370 /nfs/dbraw/zinc/03/03/70/1367030370.db2.gz ITUWWEDPSLUQMT-GEAQGZNASA-N 1 2 344.405 3.161 20 30 EGEDLO C=CCCOCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl ZINC001109280049 1367038013 /nfs/dbraw/zinc/03/80/13/1367038013.db2.gz ZECPKQKSYPPGHE-IKGGRYGDSA-N 1 2 340.895 3.223 20 30 EGEDLO C=CCCOCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl ZINC001109280049 1367038018 /nfs/dbraw/zinc/03/80/18/1367038018.db2.gz ZECPKQKSYPPGHE-IKGGRYGDSA-N 1 2 340.895 3.223 20 30 EGEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC=C(Cl)Cl)CCC1 ZINC001109395576 1367103002 /nfs/dbraw/zinc/10/30/02/1367103002.db2.gz QSNRCROQSXORNM-RDBSUJKOSA-N 1 2 341.282 3.221 20 30 EGEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC=C(Cl)Cl)CCC1 ZINC001109395576 1367103005 /nfs/dbraw/zinc/10/30/05/1367103005.db2.gz QSNRCROQSXORNM-RDBSUJKOSA-N 1 2 341.282 3.221 20 30 EGEDLO C=CCOCCCC(=O)N(C)CCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001109401240 1367104768 /nfs/dbraw/zinc/10/47/68/1367104768.db2.gz QGBMQYNPZCOGHC-UHFFFAOYSA-N 1 2 348.491 3.152 20 30 EGEDLO CC/C(C)=C\C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001189995124 1367147627 /nfs/dbraw/zinc/14/76/27/1367147627.db2.gz NRYNITMODKXGTD-GIIHOQTISA-N 1 2 329.419 3.086 20 30 EGEDLO CC/C(C)=C\C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001189995124 1367147630 /nfs/dbraw/zinc/14/76/30/1367147630.db2.gz NRYNITMODKXGTD-GIIHOQTISA-N 1 2 329.419 3.086 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@H]([N@H+](C)Cc2nc(C(C)(C)C)cs2)C1 ZINC001190068172 1367164210 /nfs/dbraw/zinc/16/42/10/1367164210.db2.gz YSHNACLEZCTBMC-HNNXBMFYSA-N 1 2 347.528 3.133 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@H]([N@@H+](C)Cc2nc(C(C)(C)C)cs2)C1 ZINC001190068172 1367164214 /nfs/dbraw/zinc/16/42/14/1367164214.db2.gz YSHNACLEZCTBMC-HNNXBMFYSA-N 1 2 347.528 3.133 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@H]([N@H+](C)Cc2csc(C(C)(C)C)n2)C1 ZINC001190067691 1367164287 /nfs/dbraw/zinc/16/42/87/1367164287.db2.gz SBRGRWDWFFTZAJ-INIZCTEOSA-N 1 2 347.528 3.133 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@H]([N@@H+](C)Cc2csc(C(C)(C)C)n2)C1 ZINC001190067691 1367164290 /nfs/dbraw/zinc/16/42/90/1367164290.db2.gz SBRGRWDWFFTZAJ-INIZCTEOSA-N 1 2 347.528 3.133 20 30 EGEDLO C=C(C)Cc1ccc(C(=O)NCCSCc2[nH]c[nH+]c2C)cc1 ZINC001190233019 1367205758 /nfs/dbraw/zinc/20/57/58/1367205758.db2.gz MNECQZNFNKTOEQ-UHFFFAOYSA-N 1 2 329.469 3.500 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1F ZINC001109601528 1367224786 /nfs/dbraw/zinc/22/47/86/1367224786.db2.gz CROBYROXAMEWDN-PVAVHDDUSA-N 1 2 334.410 3.399 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1F ZINC001109601528 1367224791 /nfs/dbraw/zinc/22/47/91/1367224791.db2.gz CROBYROXAMEWDN-PVAVHDDUSA-N 1 2 334.410 3.399 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001109604671 1367227439 /nfs/dbraw/zinc/22/74/39/1367227439.db2.gz UMVKKCIXMPFUFG-QYZOEREBSA-N 1 2 343.446 3.026 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001109604671 1367227440 /nfs/dbraw/zinc/22/74/40/1367227440.db2.gz UMVKKCIXMPFUFG-QYZOEREBSA-N 1 2 343.446 3.026 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(F)c1 ZINC001109624806 1367244683 /nfs/dbraw/zinc/24/46/83/1367244683.db2.gz CYVOLKMHSLVKPA-MNEFBYGVSA-N 1 2 346.421 3.380 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(F)c1 ZINC001109624806 1367244688 /nfs/dbraw/zinc/24/46/88/1367244688.db2.gz CYVOLKMHSLVKPA-MNEFBYGVSA-N 1 2 346.421 3.380 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ncoc2C(C)C)C1 ZINC001190396837 1367253143 /nfs/dbraw/zinc/25/31/43/1367253143.db2.gz GYXDNZXGNLZSJA-HNNXBMFYSA-N 1 2 333.476 3.433 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ncoc2C(C)C)C1 ZINC001190396837 1367253148 /nfs/dbraw/zinc/25/31/48/1367253148.db2.gz GYXDNZXGNLZSJA-HNNXBMFYSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccncc1)C(C)C)C2 ZINC001109645053 1367260733 /nfs/dbraw/zinc/26/07/33/1367260733.db2.gz OAISODJFPQMZPE-OWSLCNJRSA-N 1 2 347.890 3.295 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccncc1)C(C)C)C2 ZINC001109645053 1367260738 /nfs/dbraw/zinc/26/07/38/1367260738.db2.gz OAISODJFPQMZPE-OWSLCNJRSA-N 1 2 347.890 3.295 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C3CCCC3)n2)C1 ZINC001190428523 1367263238 /nfs/dbraw/zinc/26/32/38/1367263238.db2.gz LGNORIORABSIEF-LJQANCHMSA-N 1 2 344.503 3.387 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C3CCCC3)n2)C1 ZINC001190428523 1367263242 /nfs/dbraw/zinc/26/32/42/1367263242.db2.gz LGNORIORABSIEF-LJQANCHMSA-N 1 2 344.503 3.387 20 30 EGEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncoc1C(C)C ZINC001109657409 1367267237 /nfs/dbraw/zinc/26/72/37/1367267237.db2.gz NWKOKFXPQWDOLF-VYDXJSESSA-N 1 2 331.460 3.376 20 30 EGEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncoc1C(C)C ZINC001109657409 1367267241 /nfs/dbraw/zinc/26/72/41/1367267241.db2.gz NWKOKFXPQWDOLF-VYDXJSESSA-N 1 2 331.460 3.376 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C3CCCC3)cc2)C1 ZINC001108076536 1367269950 /nfs/dbraw/zinc/26/99/50/1367269950.db2.gz LKAJBDYLHWUNMF-NRFANRHFSA-N 1 2 342.483 3.351 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C3CCCC3)cc2)C1 ZINC001108076536 1367269952 /nfs/dbraw/zinc/26/99/52/1367269952.db2.gz LKAJBDYLHWUNMF-NRFANRHFSA-N 1 2 342.483 3.351 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc(C)cs2)CCC1 ZINC001109683191 1367280406 /nfs/dbraw/zinc/28/04/06/1367280406.db2.gz ANYYFMOENBLSMU-PMPSAXMXSA-N 1 2 345.512 3.419 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc(C)cs2)CCC1 ZINC001109683191 1367280410 /nfs/dbraw/zinc/28/04/10/1367280410.db2.gz ANYYFMOENBLSMU-PMPSAXMXSA-N 1 2 345.512 3.419 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2coc3cc(C)c(C)cc32)C1 ZINC001108097816 1367281245 /nfs/dbraw/zinc/28/12/45/1367281245.db2.gz NCYFSSMPDSMGOA-FQEVSTJZSA-N 1 2 342.439 3.056 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2coc3cc(C)c(C)cc32)C1 ZINC001108097816 1367281250 /nfs/dbraw/zinc/28/12/50/1367281250.db2.gz NCYFSSMPDSMGOA-FQEVSTJZSA-N 1 2 342.439 3.056 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1cccs1)C2 ZINC001109776274 1367315601 /nfs/dbraw/zinc/31/56/01/1367315601.db2.gz HEHKQIBAXPPUPB-OYNZBZHQSA-N 1 2 338.904 3.401 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1cccs1)C2 ZINC001109776274 1367315604 /nfs/dbraw/zinc/31/56/04/1367315604.db2.gz HEHKQIBAXPPUPB-OYNZBZHQSA-N 1 2 338.904 3.401 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC001108186063 1367328717 /nfs/dbraw/zinc/32/87/17/1367328717.db2.gz IZLGPBXINVCIBO-UXHICEINSA-N 1 2 348.462 3.135 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC001108186063 1367328722 /nfs/dbraw/zinc/32/87/22/1367328722.db2.gz IZLGPBXINVCIBO-UXHICEINSA-N 1 2 348.462 3.135 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](CCC)CC2CCCC2)C1 ZINC001108256045 1367366248 /nfs/dbraw/zinc/36/62/48/1367366248.db2.gz AWYCTMYZKUXYHE-PZJWPPBQSA-N 1 2 348.531 3.213 20 30 EGEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](CCC)CC2CCCC2)C1 ZINC001108256045 1367366249 /nfs/dbraw/zinc/36/62/49/1367366249.db2.gz AWYCTMYZKUXYHE-PZJWPPBQSA-N 1 2 348.531 3.213 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC(C)C)c2ccccc2)C1 ZINC001108262686 1367372198 /nfs/dbraw/zinc/37/21/98/1367372198.db2.gz VUUIMFZTJRKKSI-CTNGQTDRSA-N 1 2 344.499 3.209 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC(C)C)c2ccccc2)C1 ZINC001108262686 1367372201 /nfs/dbraw/zinc/37/22/01/1367372201.db2.gz VUUIMFZTJRKKSI-CTNGQTDRSA-N 1 2 344.499 3.209 20 30 EGEDLO C=CCC[C@H](C(=O)NC[C@@]1(C)C[N@H+](CC=C)CCO1)c1ccccc1 ZINC001108444924 1367459957 /nfs/dbraw/zinc/45/99/57/1367459957.db2.gz NLDYJNPMAQMESY-FPOVZHCZSA-N 1 2 342.483 3.130 20 30 EGEDLO C=CCC[C@H](C(=O)NC[C@@]1(C)C[N@@H+](CC=C)CCO1)c1ccccc1 ZINC001108444924 1367459960 /nfs/dbraw/zinc/45/99/60/1367459960.db2.gz NLDYJNPMAQMESY-FPOVZHCZSA-N 1 2 342.483 3.130 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001108712234 1367550290 /nfs/dbraw/zinc/55/02/90/1367550290.db2.gz KCMKNGIORFBCAE-ZDUSSCGKSA-N 1 2 330.476 3.183 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2cnc(Cl)s2)C1 ZINC001191868460 1367622210 /nfs/dbraw/zinc/62/22/10/1367622210.db2.gz UDICOWMBWKQREI-CHWSQXEVSA-N 1 2 341.908 3.432 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCC1(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001110304999 1367626938 /nfs/dbraw/zinc/62/69/38/1367626938.db2.gz ZFECZMWJNAWXRF-AWEZNQCLSA-N 1 2 342.487 3.327 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@]2(C1)CCCN(c1cc[nH+]c(C)n1)C2 ZINC001110458377 1367745297 /nfs/dbraw/zinc/74/52/97/1367745297.db2.gz CGDFFISEWPZZKV-UZLBHIALSA-N 1 2 342.487 3.206 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)c(C)s1 ZINC001110459401 1367747376 /nfs/dbraw/zinc/74/73/76/1367747376.db2.gz IXQOGCUBZUEAKJ-ZACQAIPSSA-N 1 2 345.512 3.175 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)c(C)s1 ZINC001110459401 1367747378 /nfs/dbraw/zinc/74/73/78/1367747378.db2.gz IXQOGCUBZUEAKJ-ZACQAIPSSA-N 1 2 345.512 3.175 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC=C(Cl)Cl ZINC001110462743 1367752318 /nfs/dbraw/zinc/75/23/18/1367752318.db2.gz BFGLDAGQBPPMEL-MCIONIFRSA-N 1 2 329.271 3.221 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(Cl)Cl ZINC001110462743 1367752324 /nfs/dbraw/zinc/75/23/24/1367752324.db2.gz BFGLDAGQBPPMEL-MCIONIFRSA-N 1 2 329.271 3.221 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001110603634 1367866329 /nfs/dbraw/zinc/86/63/29/1367866329.db2.gz LYJGFNYDQHAOLB-INMHGKMJSA-N 1 2 331.460 3.115 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001110603634 1367866331 /nfs/dbraw/zinc/86/63/31/1367866331.db2.gz LYJGFNYDQHAOLB-INMHGKMJSA-N 1 2 331.460 3.115 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@]1(C)CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001110809590 1368004828 /nfs/dbraw/zinc/00/48/28/1368004828.db2.gz RGIZZUXTPHPLIU-VLIAUNLRSA-N 1 2 342.487 3.350 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1F ZINC001110925206 1368097158 /nfs/dbraw/zinc/09/71/58/1368097158.db2.gz OFQPBGJNBICMBD-QRQLOZEOSA-N 1 2 346.421 3.380 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1F ZINC001110925206 1368097161 /nfs/dbraw/zinc/09/71/61/1368097161.db2.gz OFQPBGJNBICMBD-QRQLOZEOSA-N 1 2 346.421 3.380 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]([C@H](C)Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001111211403 1368191834 /nfs/dbraw/zinc/19/18/34/1368191834.db2.gz SKEGLGTZQOAWGJ-GOEBONIOSA-N 1 2 342.487 3.279 20 30 EGEDLO C=CC[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccon2)C1)c1ccccc1 ZINC001194173749 1368198030 /nfs/dbraw/zinc/19/80/30/1368198030.db2.gz DHLLUVGJRRCLOF-OALUTQOASA-N 1 2 339.439 3.067 20 30 EGEDLO C=CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccon2)C1)c1ccccc1 ZINC001194173749 1368198037 /nfs/dbraw/zinc/19/80/37/1368198037.db2.gz DHLLUVGJRRCLOF-OALUTQOASA-N 1 2 339.439 3.067 20 30 EGEDLO C=CCCC(=O)N1C[C@H](C)[C@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001111237120 1368211161 /nfs/dbraw/zinc/21/11/61/1368211161.db2.gz LXYFOSBYMURERV-GOEBONIOSA-N 1 2 330.476 3.381 20 30 EGEDLO C#CCCCC(=O)N1C[C@H](C)[C@@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001111246529 1368215696 /nfs/dbraw/zinc/21/56/96/1368215696.db2.gz BPPAESRTVQFGOL-RDJZCZTQSA-N 1 2 342.487 3.218 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ncc(CC)o3)C2)CCCC1 ZINC001194531444 1368280719 /nfs/dbraw/zinc/28/07/19/1368280719.db2.gz JSLYWHMSLAHKQK-MRXNPFEDSA-N 1 2 345.487 3.406 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3ncc(CC)o3)C2)CCCC1 ZINC001194531444 1368280720 /nfs/dbraw/zinc/28/07/20/1368280720.db2.gz JSLYWHMSLAHKQK-MRXNPFEDSA-N 1 2 345.487 3.406 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1nc(C)[nH+]c(C)c1C ZINC001111393712 1368289994 /nfs/dbraw/zinc/28/99/94/1368289994.db2.gz XGVYDKVMFAMKKP-ROUUACIJSA-N 1 2 342.487 3.328 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1cc(C)cc(C)c1)C2 ZINC001111398648 1368295459 /nfs/dbraw/zinc/29/54/59/1368295459.db2.gz GRYFCQYGLKCMAQ-NXHRZFHOSA-N 1 2 348.874 3.156 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1cc(C)cc(C)c1)C2 ZINC001111398648 1368295462 /nfs/dbraw/zinc/29/54/62/1368295462.db2.gz GRYFCQYGLKCMAQ-NXHRZFHOSA-N 1 2 348.874 3.156 20 30 EGEDLO CC/C=C(\C)C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001195078970 1368373050 /nfs/dbraw/zinc/37/30/50/1368373050.db2.gz GZPLGVJUHWARFX-PJQLUOCWSA-N 1 2 329.419 3.088 20 30 EGEDLO CC/C=C(\C)C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001195078970 1368373055 /nfs/dbraw/zinc/37/30/55/1368373055.db2.gz GZPLGVJUHWARFX-PJQLUOCWSA-N 1 2 329.419 3.088 20 30 EGEDLO C=CCCC(=O)N1CCC[N@@H+](Cc2cc(Cl)ccc2OC)CC1 ZINC001195232655 1368405580 /nfs/dbraw/zinc/40/55/80/1368405580.db2.gz LWWXMOMKDAEIRC-UHFFFAOYSA-N 1 2 336.863 3.349 20 30 EGEDLO C=CCCC(=O)N1CCC[N@H+](Cc2cc(Cl)ccc2OC)CC1 ZINC001195232655 1368405586 /nfs/dbraw/zinc/40/55/86/1368405586.db2.gz LWWXMOMKDAEIRC-UHFFFAOYSA-N 1 2 336.863 3.349 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N[C@H]1CC[C@H](CNc2cc[nH+]c(C)n2)CC1 ZINC001111645259 1368408691 /nfs/dbraw/zinc/40/86/91/1368408691.db2.gz DXRFHFKJIMPDGD-FSDCSDTHSA-N 1 2 330.476 3.330 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cscn1)C2 ZINC001111850776 1368504880 /nfs/dbraw/zinc/50/48/80/1368504880.db2.gz RURXTMGIZFNCFY-VKJFTORMSA-N 1 2 333.501 3.216 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cscn1)C2 ZINC001111850776 1368504882 /nfs/dbraw/zinc/50/48/82/1368504882.db2.gz RURXTMGIZFNCFY-VKJFTORMSA-N 1 2 333.501 3.216 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[N@H+](Cc2ccnc(Cl)c2)CC1 ZINC001195989845 1368529130 /nfs/dbraw/zinc/52/91/30/1368529130.db2.gz GHEYVMXUOIYIAM-UHFFFAOYSA-N 1 2 335.879 3.372 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[N@@H+](Cc2ccnc(Cl)c2)CC1 ZINC001195989845 1368529134 /nfs/dbraw/zinc/52/91/34/1368529134.db2.gz GHEYVMXUOIYIAM-UHFFFAOYSA-N 1 2 335.879 3.372 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001195990720 1368530819 /nfs/dbraw/zinc/53/08/19/1368530819.db2.gz ZIVKXBXGYZGMHS-UHFFFAOYSA-N 1 2 343.446 3.334 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001195990720 1368530823 /nfs/dbraw/zinc/53/08/23/1368530823.db2.gz ZIVKXBXGYZGMHS-UHFFFAOYSA-N 1 2 343.446 3.334 20 30 EGEDLO CC[C@H](CC(F)F)C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001196124305 1368553309 /nfs/dbraw/zinc/55/33/09/1368553309.db2.gz NDJAHAUOXAQUAG-OAHLLOKOSA-N 1 2 349.425 3.274 20 30 EGEDLO CC[C@H](CC(F)F)C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001196124305 1368553312 /nfs/dbraw/zinc/55/33/12/1368553312.db2.gz NDJAHAUOXAQUAG-OAHLLOKOSA-N 1 2 349.425 3.274 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001111974653 1368583544 /nfs/dbraw/zinc/58/35/44/1368583544.db2.gz XZWSVRDJCRQZPJ-MRXNPFEDSA-N 1 2 330.476 3.350 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CCCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC001112010309 1368614133 /nfs/dbraw/zinc/61/41/33/1368614133.db2.gz JUOUOYIXLKQWKS-INIZCTEOSA-N 1 2 328.460 3.007 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2F)CC1 ZINC001196853674 1368700158 /nfs/dbraw/zinc/70/01/58/1368700158.db2.gz LBQAJXCGMYZPTC-LSDHHAIUSA-N 1 2 336.426 3.457 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2F)CC1 ZINC001196853674 1368700162 /nfs/dbraw/zinc/70/01/62/1368700162.db2.gz LBQAJXCGMYZPTC-LSDHHAIUSA-N 1 2 336.426 3.457 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+](Cc2ccnc(Cl)c2)CC1 ZINC001196880462 1368705855 /nfs/dbraw/zinc/70/58/55/1368705855.db2.gz KDLUNAUZKPHEMR-HNNXBMFYSA-N 1 2 335.879 3.372 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccnc(Cl)c2)CC1 ZINC001196880462 1368705859 /nfs/dbraw/zinc/70/58/59/1368705859.db2.gz KDLUNAUZKPHEMR-HNNXBMFYSA-N 1 2 335.879 3.372 20 30 EGEDLO C=CCCC(=O)N1CCC[C@@H]([C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001112202089 1368711740 /nfs/dbraw/zinc/71/17/40/1368711740.db2.gz GBPNBIVJIFXHGM-QZTJIDSGSA-N 1 2 342.487 3.206 20 30 EGEDLO CCCC1(C(=O)N2CCC[N@H+](Cc3ccccc3C#N)CC2)CC1 ZINC001197110844 1368746712 /nfs/dbraw/zinc/74/67/12/1368746712.db2.gz OKVAWXWOCOIYRR-UHFFFAOYSA-N 1 2 325.456 3.173 20 30 EGEDLO CCCC1(C(=O)N2CCC[N@@H+](Cc3ccccc3C#N)CC2)CC1 ZINC001197110844 1368746715 /nfs/dbraw/zinc/74/67/15/1368746715.db2.gz OKVAWXWOCOIYRR-UHFFFAOYSA-N 1 2 325.456 3.173 20 30 EGEDLO C#CCCCC(=O)N1CCC(C)(Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001112350979 1368784172 /nfs/dbraw/zinc/78/41/72/1368784172.db2.gz URKGBJBFIUVJFJ-UHFFFAOYSA-N 1 2 340.471 3.259 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001112380842 1368807727 /nfs/dbraw/zinc/80/77/27/1368807727.db2.gz AYYRIORJPAFLCK-INIZCTEOSA-N 1 2 344.503 3.335 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CCN(c3cc[nH+]c(C)n3)CC2(C)C)CCC1 ZINC001112384531 1368813790 /nfs/dbraw/zinc/81/37/90/1368813790.db2.gz OZSIVCDAJZDRBA-MRXNPFEDSA-N 1 2 342.487 3.253 20 30 EGEDLO C=CC[NH+]1CCN(C(=S)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC001197506560 1368828676 /nfs/dbraw/zinc/82/86/76/1368828676.db2.gz JSKMGSHNOIFQRX-UHFFFAOYSA-N 1 2 345.390 3.086 20 30 EGEDLO CC(C)C[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001197597959 1368851382 /nfs/dbraw/zinc/85/13/82/1368851382.db2.gz WWKLEWHOSNNEEE-INIZCTEOSA-N 1 2 345.462 3.414 20 30 EGEDLO CC(C)C[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001197597959 1368851385 /nfs/dbraw/zinc/85/13/85/1368851385.db2.gz WWKLEWHOSNNEEE-INIZCTEOSA-N 1 2 345.462 3.414 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001112438532 1368854068 /nfs/dbraw/zinc/85/40/68/1368854068.db2.gz SJHULZWHJQKFGH-DYVFJYSZSA-N 1 2 344.503 3.335 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]2CC1 ZINC001112443912 1368858208 /nfs/dbraw/zinc/85/82/08/1368858208.db2.gz VAXZDSYMIHZPJU-RYQLBKOJSA-N 1 2 342.487 3.062 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H]1CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001112783248 1369001660 /nfs/dbraw/zinc/00/16/60/1369001660.db2.gz QKMXISSKOJARGZ-INIZCTEOSA-N 1 2 328.460 3.056 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001112788524 1369004491 /nfs/dbraw/zinc/00/44/91/1369004491.db2.gz HRZQXCNVWUGNDW-GOSISDBHSA-N 1 2 342.487 3.023 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H](C)C1CC1)c1ccccc1OC ZINC001198648137 1369081195 /nfs/dbraw/zinc/08/11/95/1369081195.db2.gz RZTYFWYDRZBEBH-XJKSGUPXSA-N 1 2 336.863 3.241 20 30 EGEDLO C=CCOCCCC(=O)N[C@H](C)[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001112953683 1369107708 /nfs/dbraw/zinc/10/77/08/1369107708.db2.gz BZZWYQDROSMJLL-JKSUJKDBSA-N 1 2 348.491 3.196 20 30 EGEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 ZINC001112967473 1369113876 /nfs/dbraw/zinc/11/38/76/1369113876.db2.gz WMATUBQDPOKKKX-UHFFFAOYSA-N 1 2 349.283 3.015 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)c1ccccc1OC ZINC001198931601 1369152094 /nfs/dbraw/zinc/15/20/94/1369152094.db2.gz BLTVYIHGPPKFGI-BBWFWOEESA-N 1 2 348.874 3.241 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+](Cc2cc(F)ccc2C)CC1 ZINC001113161707 1369236201 /nfs/dbraw/zinc/23/62/01/1369236201.db2.gz ICNRJDZCVAQGBQ-FQEVSTJZSA-N 1 2 348.462 3.007 20 30 EGEDLO C=CCCCCC[NH+]1CCN(C(=O)c2cccc3n[nH]cc32)CC1 ZINC001113177121 1369246078 /nfs/dbraw/zinc/24/60/78/1369246078.db2.gz LNUVWNJVQVQEEE-UHFFFAOYSA-N 1 2 326.444 3.067 20 30 EGEDLO C#CCC1(C(=O)N[C@@H](C)[C@H](C)Nc2cc(C)[nH+]c(C(C)C)n2)CCC1 ZINC001113181139 1369249652 /nfs/dbraw/zinc/24/96/52/1369249652.db2.gz RUQLEEJKIYZHCK-HOTGVXAUSA-N 1 2 342.487 3.407 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC001113229769 1369277505 /nfs/dbraw/zinc/27/75/05/1369277505.db2.gz QRHSFTKMJAUMHA-HUUCEWRRSA-N 1 2 336.426 3.110 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@@H](C)[C@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC001113269342 1369305527 /nfs/dbraw/zinc/30/55/27/1369305527.db2.gz OGMPESVSZLSQIH-GJZGRUSLSA-N 1 2 348.450 3.263 20 30 EGEDLO C=CCCC1(C(=O)N2CC[NH+](Cc3sc(C)nc3C)CC2)CC1 ZINC001113310945 1369337802 /nfs/dbraw/zinc/33/78/02/1369337802.db2.gz UYPHOBWKRXCARU-UHFFFAOYSA-N 1 2 333.501 3.151 20 30 EGEDLO C=CCCC1(C(=O)N2CC[NH+](CCOCc3ccccc3)CC2)CC1 ZINC001113312555 1369339331 /nfs/dbraw/zinc/33/93/31/1369339331.db2.gz BOIUXVGCIZEEIB-UHFFFAOYSA-N 1 2 342.483 3.094 20 30 EGEDLO CCC(CC)CC(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001113461738 1369448631 /nfs/dbraw/zinc/44/86/31/1369448631.db2.gz UVWYAUJJBSVBRO-UHFFFAOYSA-N 1 2 343.471 3.059 20 30 EGEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc3cc(C)ccc3s2)CC1 ZINC001113486290 1369461881 /nfs/dbraw/zinc/46/18/81/1369461881.db2.gz PTQIMPDWUWROEW-UHFFFAOYSA-N 1 2 344.480 3.170 20 30 EGEDLO C=CC[NH+]1CCN(C(=S)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC001201162027 1369488097 /nfs/dbraw/zinc/48/80/97/1369488097.db2.gz MDVYLAIHTCIOOS-UHFFFAOYSA-N 1 2 330.284 3.494 20 30 EGEDLO CCCCCCCCC(=O)N1CC[NH+](CCn2nc(C)cc2C)CC1 ZINC001113575771 1369498471 /nfs/dbraw/zinc/49/84/71/1369498471.db2.gz MEYYATDFSSFLRL-UHFFFAOYSA-N 1 2 348.535 3.395 20 30 EGEDLO C=CC[C@@H](C(=O)NC[C@@H](C)N(C)c1cc[nH+]c(C)n1)c1ccccc1 ZINC001113625368 1369526599 /nfs/dbraw/zinc/52/65/99/1369526599.db2.gz GWVRNMDDENYCOY-CRAIPNDOSA-N 1 2 338.455 3.086 20 30 EGEDLO CCCCCCCC[C@@H](C)C(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001113662754 1369551080 /nfs/dbraw/zinc/55/10/80/1369551080.db2.gz GTDSMEMVVYKLSA-LJQANCHMSA-N 1 2 348.535 3.414 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001113728159 1369591179 /nfs/dbraw/zinc/59/11/79/1369591179.db2.gz NOXSXLRYLSVBLS-HNNXBMFYSA-N 1 2 332.492 3.452 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001113852129 1369634615 /nfs/dbraw/zinc/63/46/15/1369634615.db2.gz WSHXZVQUASSOAA-IFXJQAMLSA-N 1 2 330.476 3.206 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)CC[C@H]1C ZINC001114038993 1369696839 /nfs/dbraw/zinc/69/68/39/1369696839.db2.gz AJLDDTZGNUAOFU-PBHICJAKSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001114474082 1369964444 /nfs/dbraw/zinc/96/44/44/1369964444.db2.gz CKQKYSYSHIEALM-SUMWQHHRSA-N 1 2 344.503 3.335 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001114481555 1369969197 /nfs/dbraw/zinc/96/91/97/1369969197.db2.gz NJRARIGQJQOXPW-JXFKEZNVSA-N 1 2 344.503 3.335 20 30 EGEDLO C=CCCC(=O)N1C[C@@H](CNc2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001114673492 1370018604 /nfs/dbraw/zinc/01/86/04/1370018604.db2.gz BGIMVRZGESHTLP-HUUCEWRRSA-N 1 2 328.460 3.278 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001114724619 1370047039 /nfs/dbraw/zinc/04/70/39/1370047039.db2.gz PVFVWPVJNQGXRC-OIPACUDHSA-N 1 2 345.487 3.121 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001114724619 1370047045 /nfs/dbraw/zinc/04/70/45/1370047045.db2.gz PVFVWPVJNQGXRC-OIPACUDHSA-N 1 2 345.487 3.121 20 30 EGEDLO C=CCCCC(=O)N[C@H]1C[C@H](CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001114810895 1370093292 /nfs/dbraw/zinc/09/32/92/1370093292.db2.gz LZGJPXCAFYYGRR-WKILWMFISA-N 1 2 342.487 3.327 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCC[N@@H+]2Cc1ccc(C#N)cc1 ZINC001203900262 1370305292 /nfs/dbraw/zinc/30/52/92/1370305292.db2.gz WHUQWOMVZNZDTN-SJORKVTESA-N 1 2 327.428 3.142 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCC[N@H+]2Cc1ccc(C#N)cc1 ZINC001203900262 1370305295 /nfs/dbraw/zinc/30/52/95/1370305295.db2.gz WHUQWOMVZNZDTN-SJORKVTESA-N 1 2 327.428 3.142 20 30 EGEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccc(C(F)(F)F)nc2)CC1 ZINC001205358373 1370730687 /nfs/dbraw/zinc/73/06/87/1370730687.db2.gz CBCXBUPYYPYYNT-UHFFFAOYSA-N 1 2 346.356 3.294 20 30 EGEDLO N#Cc1ccccc1COC1CC[NH+](CC(=O)c2cccs2)CC1 ZINC001205584938 1370801127 /nfs/dbraw/zinc/80/11/27/1370801127.db2.gz JRSKSDJMNKUOFK-UHFFFAOYSA-N 1 2 340.448 3.484 20 30 EGEDLO O=C(CC#Cc1ccccc1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001116269740 1370873994 /nfs/dbraw/zinc/87/39/94/1370873994.db2.gz JKZLZRUPSYSJDF-UHFFFAOYSA-N 1 2 333.366 3.069 20 30 EGEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1cc(C)c(C#N)c(C)n1 ZINC001206502094 1371074730 /nfs/dbraw/zinc/07/47/30/1371074730.db2.gz AHCDVTIEZLDLMS-UHFFFAOYSA-N 1 2 337.423 3.078 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)cc2Cl)C[C@H]1C ZINC001206938380 1371234312 /nfs/dbraw/zinc/23/43/12/1371234312.db2.gz UWKRXPGAFUGIEI-CXAGYDPISA-N 1 2 336.838 3.075 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)cc2Cl)C[C@H]1C ZINC001206938380 1371234316 /nfs/dbraw/zinc/23/43/16/1371234316.db2.gz UWKRXPGAFUGIEI-CXAGYDPISA-N 1 2 336.838 3.075 20 30 EGEDLO CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001207029099 1371272875 /nfs/dbraw/zinc/27/28/75/1371272875.db2.gz GCBFQQJOSHTPMO-JHJVBQTASA-N 1 2 326.378 3.294 20 30 EGEDLO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001207029099 1371272878 /nfs/dbraw/zinc/27/28/78/1371272878.db2.gz GCBFQQJOSHTPMO-JHJVBQTASA-N 1 2 326.378 3.294 20 30 EGEDLO CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001207029099 1371272883 /nfs/dbraw/zinc/27/28/83/1371272883.db2.gz GCBFQQJOSHTPMO-JHJVBQTASA-N 1 2 326.378 3.294 20 30 EGEDLO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001207029099 1371272886 /nfs/dbraw/zinc/27/28/86/1371272886.db2.gz GCBFQQJOSHTPMO-JHJVBQTASA-N 1 2 326.378 3.294 20 30 EGEDLO N#CCC1(C[NH+]2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)CC1 ZINC001119309073 1371304703 /nfs/dbraw/zinc/30/47/03/1371304703.db2.gz SRTURRXPBVACGP-UHFFFAOYSA-N 1 2 332.835 3.183 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2csc(C3CC3)n2)C[C@H]1C ZINC001207190260 1371324980 /nfs/dbraw/zinc/32/49/80/1371324980.db2.gz KFNXXFLKNDKASZ-CZUORRHYSA-N 1 2 333.501 3.313 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2csc(C3CC3)n2)C[C@H]1C ZINC001207190260 1371324983 /nfs/dbraw/zinc/32/49/83/1371324983.db2.gz KFNXXFLKNDKASZ-CZUORRHYSA-N 1 2 333.501 3.313 20 30 EGEDLO N#Cc1ccc2c(c1)C[N@H+](CCc1c(Cl)ncnc1Cl)CC2 ZINC001207325189 1371362420 /nfs/dbraw/zinc/36/24/20/1371362420.db2.gz APKRISIDZDPKPZ-UHFFFAOYSA-N 1 2 333.222 3.256 20 30 EGEDLO N#Cc1ccc2c(c1)C[N@@H+](CCc1c(Cl)ncnc1Cl)CC2 ZINC001207325189 1371362422 /nfs/dbraw/zinc/36/24/22/1371362422.db2.gz APKRISIDZDPKPZ-UHFFFAOYSA-N 1 2 333.222 3.256 20 30 EGEDLO N#Cc1ccc2c(c1)CC[N@@H+](CCc1c(Cl)ncnc1Cl)C2 ZINC001207325675 1371362802 /nfs/dbraw/zinc/36/28/02/1371362802.db2.gz DZEGYHRHRBYYHV-UHFFFAOYSA-N 1 2 333.222 3.256 20 30 EGEDLO N#Cc1ccc2c(c1)CC[N@H+](CCc1c(Cl)ncnc1Cl)C2 ZINC001207325675 1371362806 /nfs/dbraw/zinc/36/28/06/1371362806.db2.gz DZEGYHRHRBYYHV-UHFFFAOYSA-N 1 2 333.222 3.256 20 30 EGEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)CC1(C)CC1 ZINC001208039695 1371576917 /nfs/dbraw/zinc/57/69/17/1371576917.db2.gz ZUMWJGYKMDKALV-CRAIPNDOSA-N 1 2 344.886 3.318 20 30 EGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)CC1(C)CC1 ZINC001208039695 1371576919 /nfs/dbraw/zinc/57/69/19/1371576919.db2.gz ZUMWJGYKMDKALV-CRAIPNDOSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCn3c(Cn4cccn4)cnc3C2)CC1 ZINC001208175668 1371618498 /nfs/dbraw/zinc/61/84/98/1371618498.db2.gz YLBZDLIHNAGVKE-GOSISDBHSA-N 1 2 337.471 3.246 20 30 EGEDLO C=C(C)[C@@H]1CC=C(C[N@H+]2CCn3c(Cn4cccn4)cnc3C2)CC1 ZINC001208175668 1371618516 /nfs/dbraw/zinc/61/85/16/1371618516.db2.gz YLBZDLIHNAGVKE-GOSISDBHSA-N 1 2 337.471 3.246 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001208312155 1371711248 /nfs/dbraw/zinc/71/12/48/1371711248.db2.gz FSKHBXBATPMISG-NVXWUHKLSA-N 1 2 347.890 3.255 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001208312155 1371711251 /nfs/dbraw/zinc/71/12/51/1371711251.db2.gz FSKHBXBATPMISG-NVXWUHKLSA-N 1 2 347.890 3.255 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc(CCCC)no2)C[C@H]1C ZINC001208317945 1371714945 /nfs/dbraw/zinc/71/49/45/1371714945.db2.gz CFORURVMSZUKSK-RBSFLKMASA-N 1 2 348.491 3.122 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc(CCCC)no2)C[C@H]1C ZINC001208317945 1371714954 /nfs/dbraw/zinc/71/49/54/1371714954.db2.gz CFORURVMSZUKSK-RBSFLKMASA-N 1 2 348.491 3.122 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3ncc(C(C)C)o3)C[C@H]2C)CC1 ZINC001208515533 1371796263 /nfs/dbraw/zinc/79/62/63/1371796263.db2.gz RQONKWIOMPIHJS-HZPDHXFCSA-N 1 2 345.487 3.481 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ncc(C(C)C)o3)C[C@H]2C)CC1 ZINC001208515533 1371796267 /nfs/dbraw/zinc/79/62/67/1371796267.db2.gz RQONKWIOMPIHJS-HZPDHXFCSA-N 1 2 345.487 3.481 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)Cc2ccccc2)C1 ZINC001209030988 1371978679 /nfs/dbraw/zinc/97/86/79/1371978679.db2.gz YBJJOAOEZCMOKV-FHLIZLRMSA-N 1 2 334.891 3.444 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)Cc2ccccc2)C1 ZINC001209030988 1371978686 /nfs/dbraw/zinc/97/86/86/1371978686.db2.gz YBJJOAOEZCMOKV-FHLIZLRMSA-N 1 2 334.891 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H](C)CC)C1 ZINC001209680733 1372168539 /nfs/dbraw/zinc/16/85/39/1372168539.db2.gz RTFQAIBOLHFYAB-OUCADQQQSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H](C)CC)C1 ZINC001209680733 1372168541 /nfs/dbraw/zinc/16/85/41/1372168541.db2.gz RTFQAIBOLHFYAB-OUCADQQQSA-N 1 2 331.298 3.158 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC001209875614 1372219992 /nfs/dbraw/zinc/21/99/92/1372219992.db2.gz SEAYFCNFSCTWSU-AWEZNQCLSA-N 1 2 348.491 3.050 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)CC2CCOCC2)C1 ZINC001209944934 1372238344 /nfs/dbraw/zinc/23/83/44/1372238344.db2.gz LZIRJPHSXCIUEE-CZUORRHYSA-N 1 2 342.911 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)CC2CCOCC2)C1 ZINC001209944934 1372238346 /nfs/dbraw/zinc/23/83/46/1372238346.db2.gz LZIRJPHSXCIUEE-CZUORRHYSA-N 1 2 342.911 3.018 20 30 EGEDLO Cc1cc(C#N)cc(Nc2cc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c(C)n2)c1 ZINC001210388117 1372340514 /nfs/dbraw/zinc/34/05/14/1372340514.db2.gz GBMAHIHQHDGRAR-ZIAGYGMSSA-N 1 2 337.427 3.322 20 30 EGEDLO Cc1cc(C#N)cc(Nc2cc(N3C[C@@H](C)O[C@H](C)C3)nc(C)[nH+]2)c1 ZINC001210388117 1372340517 /nfs/dbraw/zinc/34/05/17/1372340517.db2.gz GBMAHIHQHDGRAR-ZIAGYGMSSA-N 1 2 337.427 3.322 20 30 EGEDLO C=CCCC(=O)N[C@@]12CCC[C@@H]1N(c1cc(C)[nH+]c(C3CC3)n1)CC2 ZINC001123384847 1372449822 /nfs/dbraw/zinc/44/98/22/1372449822.db2.gz FYTOAMZOTRIPID-OXJNMPFZSA-N 1 2 340.471 3.246 20 30 EGEDLO Fc1cc(CN2CC[NH2+]CC(F)(F)C2)cc(F)c1C(F)(F)F ZINC001211341923 1372536326 /nfs/dbraw/zinc/53/63/26/1372536326.db2.gz PMCZBWHAVVDCLA-UHFFFAOYSA-N 1 2 330.247 3.024 20 30 EGEDLO Cc1cc(NC[C@H]2CC[C@@H](NC(=O)C#CC(C)C)C2)nc(C(C)C)[nH+]1 ZINC001123784851 1372587653 /nfs/dbraw/zinc/58/76/53/1372587653.db2.gz MZHSZXFOPVUMCF-DLBZAZTESA-N 1 2 342.487 3.265 20 30 EGEDLO N#Cc1c(Nc2ccc(C[NH+]3CC(O)C3)cc2)sc2c1CCC2 ZINC001212665405 1372748051 /nfs/dbraw/zinc/74/80/51/1372748051.db2.gz MQDSKOKWVTYGLB-UHFFFAOYSA-N 1 2 325.437 3.029 20 30 EGEDLO N#Cc1ccc(C(F)(F)F)c(Nc2ccc(C[NH+]3CC(O)C3)cc2)c1 ZINC001212671267 1372750380 /nfs/dbraw/zinc/75/03/80/1372750380.db2.gz JZAYTULKKMJZHL-UHFFFAOYSA-N 1 2 347.340 3.497 20 30 EGEDLO N#CC[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC001125584329 1372813975 /nfs/dbraw/zinc/81/39/75/1372813975.db2.gz JGJFGYADRMJOEU-IBGZPJMESA-N 1 2 330.391 3.186 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC001214746034 1373114003 /nfs/dbraw/zinc/11/40/03/1373114003.db2.gz TVWYCSXBCILVQZ-QLFBSQMISA-N 1 2 348.491 3.221 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)C=C(C)C)c2C1 ZINC001128178278 1373229607 /nfs/dbraw/zinc/22/96/07/1373229607.db2.gz DUNUGGRFJCZNMG-UHFFFAOYSA-N 1 2 332.492 3.252 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)C=C(C)C)c2C1 ZINC001128178278 1373229612 /nfs/dbraw/zinc/22/96/12/1373229612.db2.gz DUNUGGRFJCZNMG-UHFFFAOYSA-N 1 2 332.492 3.252 20 30 EGEDLO C#CCCCC(=O)NCc1cnn2c1C[N@H+](CCCCCCC)CC2 ZINC001128327470 1373252453 /nfs/dbraw/zinc/25/24/53/1373252453.db2.gz OSXCNJUUSDOPEZ-UHFFFAOYSA-N 1 2 344.503 3.089 20 30 EGEDLO C#CCCCC(=O)NCc1cnn2c1C[N@@H+](CCCCCCC)CC2 ZINC001128327470 1373252457 /nfs/dbraw/zinc/25/24/57/1373252457.db2.gz OSXCNJUUSDOPEZ-UHFFFAOYSA-N 1 2 344.503 3.089 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H](CCCC)C(C)C)c2C1 ZINC001128594293 1373295542 /nfs/dbraw/zinc/29/55/42/1373295542.db2.gz WQUDHACEGVFPTC-GOSISDBHSA-N 1 2 346.519 3.353 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H](CCCC)C(C)C)c2C1 ZINC001128594293 1373295547 /nfs/dbraw/zinc/29/55/47/1373295547.db2.gz WQUDHACEGVFPTC-GOSISDBHSA-N 1 2 346.519 3.353 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C[C@H]3CCCC[C@@H]3C)c2C1 ZINC001128612832 1373297943 /nfs/dbraw/zinc/29/79/43/1373297943.db2.gz VIEPRSJODZFXEC-DLBZAZTESA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C[C@H]3CCCC[C@@H]3C)c2C1 ZINC001128612832 1373297944 /nfs/dbraw/zinc/29/79/44/1373297944.db2.gz VIEPRSJODZFXEC-DLBZAZTESA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCCC[N@@H+]1Cc2cnn(C3CCN(C(=O)CCC=C)CC3)c2C1 ZINC001130164767 1373467233 /nfs/dbraw/zinc/46/72/33/1373467233.db2.gz RTXCQJRVCJLJIR-UHFFFAOYSA-N 1 2 342.487 3.295 20 30 EGEDLO C=CCCC[N@H+]1Cc2cnn(C3CCN(C(=O)CCC=C)CC3)c2C1 ZINC001130164767 1373467234 /nfs/dbraw/zinc/46/72/34/1373467234.db2.gz RTXCQJRVCJLJIR-UHFFFAOYSA-N 1 2 342.487 3.295 20 30 EGEDLO C=CCCCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@@H]21 ZINC001218565975 1373633874 /nfs/dbraw/zinc/63/38/74/1373633874.db2.gz DMCVQQRUDKYRPG-ZWKOTPCHSA-N 1 2 348.874 3.108 20 30 EGEDLO C=CCCCC(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@@H]21 ZINC001218565975 1373633875 /nfs/dbraw/zinc/63/38/75/1373633875.db2.gz DMCVQQRUDKYRPG-ZWKOTPCHSA-N 1 2 348.874 3.108 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)CCCC(C)C)C[C@@H](C)O2 ZINC001131688160 1373763277 /nfs/dbraw/zinc/76/32/77/1373763277.db2.gz HOQRDBCGDAHQSH-AEFFLSMTSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CCCC(C)C)C[C@@H](C)O2 ZINC001131688160 1373763280 /nfs/dbraw/zinc/76/32/80/1373763280.db2.gz HOQRDBCGDAHQSH-AEFFLSMTSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)/C=C\C(C)(C)C)CC[C@@H]1C ZINC001131911056 1375041667 /nfs/dbraw/zinc/04/16/67/1375041667.db2.gz CEIWDQANQAOZCC-WFNIXHHISA-N 1 2 343.309 3.466 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)/C=C\C(C)(C)C)CC[C@@H]1C ZINC001131911056 1375041673 /nfs/dbraw/zinc/04/16/73/1375041673.db2.gz CEIWDQANQAOZCC-WFNIXHHISA-N 1 2 343.309 3.466 20 30 EGEDLO C=CCOCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC=C(Cl)Cl)C1 ZINC001131939871 1375058582 /nfs/dbraw/zinc/05/85/82/1375058582.db2.gz WPYLJAUGWSTEOZ-KBPBESRZSA-N 1 2 349.302 3.257 20 30 EGEDLO C=CCOCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC=C(Cl)Cl)C1 ZINC001131939871 1375058588 /nfs/dbraw/zinc/05/85/88/1375058588.db2.gz WPYLJAUGWSTEOZ-KBPBESRZSA-N 1 2 349.302 3.257 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccncc2Cl)C1 ZINC001131971017 1375075373 /nfs/dbraw/zinc/07/53/73/1375075373.db2.gz APGIOQFGLFFWHC-WBVHZDCISA-N 1 2 347.890 3.398 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccncc2Cl)C1 ZINC001131971017 1375075379 /nfs/dbraw/zinc/07/53/79/1375075379.db2.gz APGIOQFGLFFWHC-WBVHZDCISA-N 1 2 347.890 3.398 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc(F)c2F)C1 ZINC001132002427 1375092070 /nfs/dbraw/zinc/09/20/70/1375092070.db2.gz JTORSZHWLXHADB-GDBMZVCRSA-N 1 2 334.410 3.237 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(F)c2F)C1 ZINC001132002427 1375092075 /nfs/dbraw/zinc/09/20/75/1375092075.db2.gz JTORSZHWLXHADB-GDBMZVCRSA-N 1 2 334.410 3.237 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1c(F)cccc1F ZINC001132035191 1375109234 /nfs/dbraw/zinc/10/92/34/1375109234.db2.gz YPTSSALKXGGYRF-GJZGRUSLSA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1c(F)cccc1F ZINC001132035191 1375109240 /nfs/dbraw/zinc/10/92/40/1375109240.db2.gz YPTSSALKXGGYRF-GJZGRUSLSA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1cc(Cl)ccc1F ZINC001132045319 1375114680 /nfs/dbraw/zinc/11/46/80/1375114680.db2.gz DNUJDOBPZXPFDO-SUMWQHHRSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1cc(Cl)ccc1F ZINC001132045319 1375114681 /nfs/dbraw/zinc/11/46/81/1375114681.db2.gz DNUJDOBPZXPFDO-SUMWQHHRSA-N 1 2 348.849 3.362 20 30 EGEDLO C#CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC=C(Cl)Cl)C2)CCC1 ZINC001132100969 1375148068 /nfs/dbraw/zinc/14/80/68/1375148068.db2.gz DWTMZPPTGHNOHU-UONOGXRCSA-N 1 2 343.298 3.468 20 30 EGEDLO C#CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC=C(Cl)Cl)C2)CCC1 ZINC001132100969 1375148070 /nfs/dbraw/zinc/14/80/70/1375148070.db2.gz DWTMZPPTGHNOHU-UONOGXRCSA-N 1 2 343.298 3.468 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2(C(F)(F)F)CCC2)CC[C@H]1C ZINC001132131842 1375163076 /nfs/dbraw/zinc/16/30/76/1375163076.db2.gz KTWPFAVBCPASTH-VXGBXAGGSA-N 1 2 338.801 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2(C(F)(F)F)CCC2)CC[C@H]1C ZINC001132131842 1375163078 /nfs/dbraw/zinc/16/30/78/1375163078.db2.gz KTWPFAVBCPASTH-VXGBXAGGSA-N 1 2 338.801 3.441 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cncc(F)c2)C1 ZINC001132217258 1375215233 /nfs/dbraw/zinc/21/52/33/1375215233.db2.gz AGVATNYQRWVDPV-RHSMWYFYSA-N 1 2 333.451 3.292 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cncc(F)c2)C1 ZINC001132217258 1375215242 /nfs/dbraw/zinc/21/52/42/1375215242.db2.gz AGVATNYQRWVDPV-RHSMWYFYSA-N 1 2 333.451 3.292 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2nc(C)cs2)C1 ZINC001132234839 1375229746 /nfs/dbraw/zinc/22/97/46/1375229746.db2.gz FVQZCSNWEIYRBN-CVEARBPZSA-N 1 2 333.501 3.114 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)cs2)C1 ZINC001132234839 1375229749 /nfs/dbraw/zinc/22/97/49/1375229749.db2.gz FVQZCSNWEIYRBN-CVEARBPZSA-N 1 2 333.501 3.114 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)/C=C/C(C)(C)C)CC1 ZINC001226633260 1375297062 /nfs/dbraw/zinc/29/70/62/1375297062.db2.gz PUAWRSBZUWUYRA-VMPITWQZSA-N 1 2 329.282 3.078 20 30 EGEDLO O=C(CCC1CC1)NC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC001226708396 1375313882 /nfs/dbraw/zinc/31/38/82/1375313882.db2.gz NXVXEYJYHIDEBU-UHFFFAOYSA-N 1 2 344.886 3.462 20 30 EGEDLO CC(C)C#CC(=O)NC1CC[NH+]([C@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC001227265507 1375414003 /nfs/dbraw/zinc/41/40/03/1375414003.db2.gz KBPIURPLKKSEKK-OAHLLOKOSA-N 1 2 345.487 3.273 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NC1CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC001228760823 1375667148 /nfs/dbraw/zinc/66/71/48/1375667148.db2.gz PGPFOBQDJCXXEG-CABCVRRESA-N 1 2 345.487 3.092 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC1CC[NH+](Cc2nc3c(o2)CCCC3)CC1 ZINC001229016579 1375739315 /nfs/dbraw/zinc/73/93/15/1375739315.db2.gz LHLBXTYSISTSQD-FQEVSTJZSA-N 1 2 345.487 3.236 20 30 EGEDLO N#Cc1cc(F)c(F)cc1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001229838118 1375901388 /nfs/dbraw/zinc/90/13/88/1375901388.db2.gz FVEHFIFNONFVIW-MRXNPFEDSA-N 1 2 344.361 3.116 20 30 EGEDLO N#Cc1cc(F)c(F)cc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001229838118 1375901395 /nfs/dbraw/zinc/90/13/95/1375901395.db2.gz FVEHFIFNONFVIW-MRXNPFEDSA-N 1 2 344.361 3.116 20 30 EGEDLO C=C[C@@H](C(=O)NC1CC[NH+](Cc2cscn2)CC1)c1ccccc1 ZINC001230334314 1376000117 /nfs/dbraw/zinc/00/01/17/1376000117.db2.gz QDTLQMGVBQTKJZ-GOSISDBHSA-N 1 2 341.480 3.194 20 30 EGEDLO C=CCC1(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)CCCC1 ZINC001230627563 1376106992 /nfs/dbraw/zinc/10/69/92/1376106992.db2.gz CJTOMUCLYZTKSE-SFHVURJKSA-N 1 2 329.488 3.349 20 30 EGEDLO C=CCC1(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)CCCC1 ZINC001230627563 1376106995 /nfs/dbraw/zinc/10/69/95/1376106995.db2.gz CJTOMUCLYZTKSE-SFHVURJKSA-N 1 2 329.488 3.349 20 30 EGEDLO CCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001230772433 1376148285 /nfs/dbraw/zinc/14/82/85/1376148285.db2.gz GUXRRHIGDGDDJI-LJQANCHMSA-N 1 2 330.447 3.290 20 30 EGEDLO CCCCCC(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001230772433 1376148290 /nfs/dbraw/zinc/14/82/90/1376148290.db2.gz GUXRRHIGDGDDJI-LJQANCHMSA-N 1 2 330.447 3.290 20 30 EGEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(Cl)cc1OC ZINC001231168963 1376212324 /nfs/dbraw/zinc/21/23/24/1376212324.db2.gz CISQXFXOTSQEAM-INIZCTEOSA-N 1 2 336.863 3.348 20 30 EGEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(Cl)cc1OC ZINC001231168963 1376212328 /nfs/dbraw/zinc/21/23/28/1376212328.db2.gz CISQXFXOTSQEAM-INIZCTEOSA-N 1 2 336.863 3.348 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cnc(Cl)s3)C[C@H]21 ZINC001188999066 1388430958 /nfs/dbraw/zinc/43/09/58/1388430958.db2.gz AFKOLKSVNAEBSR-GXTWGEPZSA-N 1 2 339.892 3.186 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3cnc(Cl)s3)C[C@H]21 ZINC001188999066 1388430961 /nfs/dbraw/zinc/43/09/61/1388430961.db2.gz AFKOLKSVNAEBSR-GXTWGEPZSA-N 1 2 339.892 3.186 20 30 EGEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2cccc(C)c2OC(C)C)CC1 ZINC001232392931 1376454420 /nfs/dbraw/zinc/45/44/20/1376454420.db2.gz FBVWQQGZLBVGDO-UHFFFAOYSA-N 1 2 344.455 3.451 20 30 EGEDLO N#Cc1ccc2c(c1)CC[N@@H+](Cc1cccc(Br)c1N)C2 ZINC001232522801 1376475482 /nfs/dbraw/zinc/47/54/82/1376475482.db2.gz CCYSUWCJOWZMMU-UHFFFAOYSA-N 1 2 342.240 3.461 20 30 EGEDLO N#Cc1ccc2c(c1)CC[N@H+](Cc1cccc(Br)c1N)C2 ZINC001232522801 1376475487 /nfs/dbraw/zinc/47/54/87/1376475487.db2.gz CCYSUWCJOWZMMU-UHFFFAOYSA-N 1 2 342.240 3.461 20 30 EGEDLO COc1cccc(O[C@@H]2CCC[N@H+](Cc3cc(C#N)ccc3O)C2)c1 ZINC001232679778 1376500332 /nfs/dbraw/zinc/50/03/32/1376500332.db2.gz RVMSDRXQTGVFCF-LJQANCHMSA-N 1 2 338.407 3.316 20 30 EGEDLO COc1cccc(O[C@@H]2CCC[N@@H+](Cc3cc(C#N)ccc3O)C2)c1 ZINC001232679778 1376500338 /nfs/dbraw/zinc/50/03/38/1376500338.db2.gz RVMSDRXQTGVFCF-LJQANCHMSA-N 1 2 338.407 3.316 20 30 EGEDLO CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232679439 1376500977 /nfs/dbraw/zinc/50/09/77/1376500977.db2.gz KUEQPQWRXYFVEO-MRXNPFEDSA-N 1 2 345.443 3.095 20 30 EGEDLO CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232679439 1376500980 /nfs/dbraw/zinc/50/09/80/1376500980.db2.gz KUEQPQWRXYFVEO-MRXNPFEDSA-N 1 2 345.443 3.095 20 30 EGEDLO N#Cc1ccc(F)cc1CN1CC[NH+](Cc2ccccc2F)CC1 ZINC001232890895 1376533952 /nfs/dbraw/zinc/53/39/52/1376533952.db2.gz RGKVCWXQWYXWGA-UHFFFAOYSA-N 1 2 327.378 3.154 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001232890733 1376534181 /nfs/dbraw/zinc/53/41/81/1376534181.db2.gz MKSGXAZHGDTXSD-MOPGFXCFSA-N 1 2 330.403 3.023 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001232890733 1376534185 /nfs/dbraw/zinc/53/41/85/1376534185.db2.gz MKSGXAZHGDTXSD-MOPGFXCFSA-N 1 2 330.403 3.023 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@]12CC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001232889800 1376534442 /nfs/dbraw/zinc/53/44/42/1376534442.db2.gz PSQUNTVCXZAPIS-LJQANCHMSA-N 1 2 345.418 3.283 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@]12CC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001232889800 1376534447 /nfs/dbraw/zinc/53/44/47/1376534447.db2.gz PSQUNTVCXZAPIS-LJQANCHMSA-N 1 2 345.418 3.283 20 30 EGEDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(N(C)C)c(C#N)c1F)CC2 ZINC001233097119 1376569235 /nfs/dbraw/zinc/56/92/35/1376569235.db2.gz PUSLWRYKBXJGFU-UHFFFAOYSA-N 1 2 339.414 3.330 20 30 EGEDLO COc1ccc2c(c1)C[N@H+](Cc1ccc(N(C)C)c(C#N)c1F)CC2 ZINC001233097119 1376569240 /nfs/dbraw/zinc/56/92/40/1376569240.db2.gz PUSLWRYKBXJGFU-UHFFFAOYSA-N 1 2 339.414 3.330 20 30 EGEDLO C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1)C1CC1 ZINC001233530505 1376661981 /nfs/dbraw/zinc/66/19/81/1376661981.db2.gz UPPOXUBEJWPRCA-KXBFYZLASA-N 1 2 344.886 3.270 20 30 EGEDLO C[C@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1)C1CC1 ZINC001233530505 1376661985 /nfs/dbraw/zinc/66/19/85/1376661985.db2.gz UPPOXUBEJWPRCA-KXBFYZLASA-N 1 2 344.886 3.270 20 30 EGEDLO CC/C(C)=C\C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001234129982 1376771917 /nfs/dbraw/zinc/77/19/17/1376771917.db2.gz LICPVVIULWPRTL-CRPZLVSXSA-N 1 2 329.419 3.086 20 30 EGEDLO CC/C(C)=C\C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001234129982 1376771921 /nfs/dbraw/zinc/77/19/21/1376771921.db2.gz LICPVVIULWPRTL-CRPZLVSXSA-N 1 2 329.419 3.086 20 30 EGEDLO COc1cc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)C#CC(C)C)ccc1Cl ZINC001234162838 1376781315 /nfs/dbraw/zinc/78/13/15/1376781315.db2.gz VQXMZMYPMVGICQ-MRXNPFEDSA-N 1 2 348.874 3.041 20 30 EGEDLO COc1cc(C[N@H+]2CC[C@@H]2CN(C)C(=O)C#CC(C)C)ccc1Cl ZINC001234162838 1376781319 /nfs/dbraw/zinc/78/13/19/1376781319.db2.gz VQXMZMYPMVGICQ-MRXNPFEDSA-N 1 2 348.874 3.041 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)C(C)(C)C1CC1 ZINC001327250030 1388462598 /nfs/dbraw/zinc/46/25/98/1388462598.db2.gz ARIPDLJJUBWKIE-UHFFFAOYSA-N 1 2 331.298 3.112 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)C(C)(C)C1CC1 ZINC001327250030 1388462603 /nfs/dbraw/zinc/46/26/03/1388462603.db2.gz ARIPDLJJUBWKIE-UHFFFAOYSA-N 1 2 331.298 3.112 20 30 EGEDLO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ncc(Cl)s1)C2 ZINC001137106616 1377479950 /nfs/dbraw/zinc/47/99/50/1377479950.db2.gz MXDUAGXRTRZMQS-BBRMVZONSA-N 1 2 342.892 3.370 20 30 EGEDLO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ncc(Cl)s1)C2 ZINC001137106616 1377479952 /nfs/dbraw/zinc/47/99/52/1377479952.db2.gz MXDUAGXRTRZMQS-BBRMVZONSA-N 1 2 342.892 3.370 20 30 EGEDLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)ccc2C(F)(F)F)C1 ZINC001138087831 1377675157 /nfs/dbraw/zinc/67/51/57/1377675157.db2.gz KULVXFFNZIROIS-LLVKDONJSA-N 1 2 331.231 3.344 20 30 EGEDLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)ccc2C(F)(F)F)C1 ZINC001138087831 1377675159 /nfs/dbraw/zinc/67/51/59/1377675159.db2.gz KULVXFFNZIROIS-LLVKDONJSA-N 1 2 331.231 3.344 20 30 EGEDLO C#CCOc1ccc(C[N@H+](C)Cc2cn3ccc(C)cc3n2)cc1OC ZINC001138348139 1377707913 /nfs/dbraw/zinc/70/79/13/1377707913.db2.gz PEBAGRXRUWZXQC-UHFFFAOYSA-N 1 2 349.434 3.295 20 30 EGEDLO C#CCOc1ccc(C[N@@H+](C)Cc2cn3ccc(C)cc3n2)cc1OC ZINC001138348139 1377707914 /nfs/dbraw/zinc/70/79/14/1377707914.db2.gz PEBAGRXRUWZXQC-UHFFFAOYSA-N 1 2 349.434 3.295 20 30 EGEDLO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)c(OC)c1 ZINC001138385896 1377714158 /nfs/dbraw/zinc/71/41/58/1377714158.db2.gz CKNAPDKZKWFKRQ-SFHVURJKSA-N 1 2 346.496 3.316 20 30 EGEDLO CCN(CC)c1ccc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)c(OC)c1 ZINC001138385896 1377714159 /nfs/dbraw/zinc/71/41/59/1377714159.db2.gz CKNAPDKZKWFKRQ-SFHVURJKSA-N 1 2 346.496 3.316 20 30 EGEDLO C=CCOc1ccccc1C[NH+]1CCN(CCc2ccccn2)CC1 ZINC001139029823 1377819887 /nfs/dbraw/zinc/81/98/87/1377819887.db2.gz QNLRLTPZLWBATO-UHFFFAOYSA-N 1 2 337.467 3.007 20 30 EGEDLO CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cccc(Cl)c1C#N)C2 ZINC001139689943 1377935317 /nfs/dbraw/zinc/93/53/17/1377935317.db2.gz YRKWLRWYUHHIHR-MAUKXSAKSA-N 1 2 334.847 3.372 20 30 EGEDLO CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cccc(Cl)c1C#N)C2 ZINC001139689943 1377935319 /nfs/dbraw/zinc/93/53/19/1377935319.db2.gz YRKWLRWYUHHIHR-MAUKXSAKSA-N 1 2 334.847 3.372 20 30 EGEDLO CC(C)C(=O)N(C)C1CC[NH+](Cc2cccc(Cl)c2C#N)CC1 ZINC001139692765 1377936444 /nfs/dbraw/zinc/93/64/44/1377936444.db2.gz HYWUXBQHYLHMSH-UHFFFAOYSA-N 1 2 333.863 3.290 20 30 EGEDLO N#Cc1cccc2c(CN3CC[C@H]([NH+]4CCCC4)C(F)(F)C3)c[nH]c21 ZINC001139707894 1377938888 /nfs/dbraw/zinc/93/88/88/1377938888.db2.gz XPOIEWAKOHMUMO-KRWDZBQOSA-N 1 2 344.409 3.345 20 30 EGEDLO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1C#N ZINC001139723624 1377941668 /nfs/dbraw/zinc/94/16/68/1377941668.db2.gz CHCMLQNEZGTUAG-HDICACEKSA-N 1 2 341.455 3.450 20 30 EGEDLO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1C#N ZINC001139723624 1377941669 /nfs/dbraw/zinc/94/16/69/1377941669.db2.gz CHCMLQNEZGTUAG-HDICACEKSA-N 1 2 341.455 3.450 20 30 EGEDLO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)cc1C#N ZINC001139724896 1377942023 /nfs/dbraw/zinc/94/20/23/1377942023.db2.gz UJPJMYFFMWPVID-PCCBWWKXSA-N 1 2 349.434 3.073 20 30 EGEDLO Cc1ccc(C[N@H+]2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)cc1C#N ZINC001139724896 1377942024 /nfs/dbraw/zinc/94/20/24/1377942024.db2.gz UJPJMYFFMWPVID-PCCBWWKXSA-N 1 2 349.434 3.073 20 30 EGEDLO N#Cc1ccc2[nH]cc(C[N@@H+]3CCO[C@H](COc4ccccc4)C3)c2c1 ZINC001140116053 1378011609 /nfs/dbraw/zinc/01/16/09/1378011609.db2.gz PPMOUNYAMREBRS-IBGZPJMESA-N 1 2 347.418 3.319 20 30 EGEDLO N#Cc1ccc2[nH]cc(C[N@H+]3CCO[C@H](COc4ccccc4)C3)c2c1 ZINC001140116053 1378011613 /nfs/dbraw/zinc/01/16/13/1378011613.db2.gz PPMOUNYAMREBRS-IBGZPJMESA-N 1 2 347.418 3.319 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccc(C#N)cc1F)CCO2 ZINC001140137697 1378017422 /nfs/dbraw/zinc/01/74/22/1378017422.db2.gz UCFOKEBILOOCSR-UYAOXDASSA-N 1 2 344.430 3.271 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1ccc(C#N)cc1F)CCO2 ZINC001140137697 1378017428 /nfs/dbraw/zinc/01/74/28/1378017428.db2.gz UCFOKEBILOOCSR-UYAOXDASSA-N 1 2 344.430 3.271 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(C)c(OC)c1 ZINC001140158947 1378023025 /nfs/dbraw/zinc/02/30/25/1378023025.db2.gz LTJZAOGUTURUCD-GOSISDBHSA-N 1 2 341.455 3.039 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(C)c(OC)c1 ZINC001140158947 1378023026 /nfs/dbraw/zinc/02/30/26/1378023026.db2.gz LTJZAOGUTURUCD-GOSISDBHSA-N 1 2 341.455 3.039 20 30 EGEDLO N#Cc1ccc(CN2CCCC3(C[NH+](C4CCCC4)C3)C2)c(O)c1 ZINC001276493786 1378175938 /nfs/dbraw/zinc/17/59/38/1378175938.db2.gz NRDARTBLSMBMLX-UHFFFAOYSA-N 1 2 325.456 3.104 20 30 EGEDLO CCOC(=O)C1(C(C)C)CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC001141167147 1378257465 /nfs/dbraw/zinc/25/74/65/1378257465.db2.gz CCDGOHHBVYOIBJ-UHFFFAOYSA-N 1 2 332.419 3.499 20 30 EGEDLO C=CCOCc1ncn2c1C[N@H+](Cc1ccc(C)cc1F)CCC2 ZINC001141192426 1378264397 /nfs/dbraw/zinc/26/43/97/1378264397.db2.gz LRSOHZDFTVZQMR-UHFFFAOYSA-N 1 2 329.419 3.439 20 30 EGEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1ccc(C)cc1F)CCC2 ZINC001141192426 1378264404 /nfs/dbraw/zinc/26/44/04/1378264404.db2.gz LRSOHZDFTVZQMR-UHFFFAOYSA-N 1 2 329.419 3.439 20 30 EGEDLO Cc1nc2c(o1)CC[N@H+](Cc1ccc(Br)cc1C#N)C2 ZINC001141818613 1378381564 /nfs/dbraw/zinc/38/15/64/1378381564.db2.gz MUOHNJNNVXMZEW-UHFFFAOYSA-N 1 2 332.201 3.176 20 30 EGEDLO Cc1nc2c(o1)CC[N@@H+](Cc1ccc(Br)cc1C#N)C2 ZINC001141818613 1378381566 /nfs/dbraw/zinc/38/15/66/1378381566.db2.gz MUOHNJNNVXMZEW-UHFFFAOYSA-N 1 2 332.201 3.176 20 30 EGEDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1c[nH]c3cc(C#N)ccc13)C2 ZINC001142925870 1378509964 /nfs/dbraw/zinc/50/99/64/1378509964.db2.gz FAKMVWPUHATIPS-UHFFFAOYSA-N 1 2 331.375 3.342 20 30 EGEDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1c[nH]c3cc(C#N)ccc13)C2 ZINC001142925870 1378509965 /nfs/dbraw/zinc/50/99/65/1378509965.db2.gz FAKMVWPUHATIPS-UHFFFAOYSA-N 1 2 331.375 3.342 20 30 EGEDLO CC(C)(C)CC(=O)NC1CC[NH+](Cc2c(F)ccc(C#N)c2F)CC1 ZINC001143175850 1378554641 /nfs/dbraw/zinc/55/46/41/1378554641.db2.gz IEZMVYFRZPFFLZ-UHFFFAOYSA-N 1 2 349.425 3.353 20 30 EGEDLO Cc1ccc2c(c1)C(=O)CC1(CC[NH+](Cc3ccc(C#N)cn3)CC1)O2 ZINC001144163496 1378689496 /nfs/dbraw/zinc/68/94/96/1378689496.db2.gz HRDFCQDAGKREIH-UHFFFAOYSA-N 1 2 347.418 3.262 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc4sccc43)CC2)nc1 ZINC001144166606 1378690688 /nfs/dbraw/zinc/69/06/88/1378690688.db2.gz MZSMUAYOPZLZQY-UHFFFAOYSA-N 1 2 334.448 3.490 20 30 EGEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001147637078 1379054806 /nfs/dbraw/zinc/05/48/06/1379054806.db2.gz VDDZULSAJOPCSV-UHFFFAOYSA-N 1 2 349.456 3.047 20 30 EGEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001147637078 1379054812 /nfs/dbraw/zinc/05/48/12/1379054812.db2.gz VDDZULSAJOPCSV-UHFFFAOYSA-N 1 2 349.456 3.047 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1nnc(C)s1)C2 ZINC001147652716 1379055927 /nfs/dbraw/zinc/05/59/27/1379055927.db2.gz QWGPVSQDYVIHDA-CYBMUJFWSA-N 1 2 348.516 3.044 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1nnc(C)s1)C2 ZINC001147652716 1379055928 /nfs/dbraw/zinc/05/59/28/1379055928.db2.gz QWGPVSQDYVIHDA-CYBMUJFWSA-N 1 2 348.516 3.044 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1csc(C)n1)C2 ZINC001148129691 1379121835 /nfs/dbraw/zinc/12/18/35/1379121835.db2.gz HNFHSWQWIFJEPC-CQSZACIVSA-N 1 2 333.501 3.088 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1csc(C)n1)C2 ZINC001148129691 1379121838 /nfs/dbraw/zinc/12/18/38/1379121838.db2.gz HNFHSWQWIFJEPC-CQSZACIVSA-N 1 2 333.501 3.088 20 30 EGEDLO Cc1c[nH+]c2n1CCC21CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 ZINC001148615142 1379226307 /nfs/dbraw/zinc/22/63/07/1379226307.db2.gz YHNPRNYWWZTLRF-OAHLLOKOSA-N 1 2 348.450 3.396 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C(C)(C)C(C)(C)C)C1 ZINC001150141291 1379501270 /nfs/dbraw/zinc/50/12/70/1379501270.db2.gz ZMQZWXIUUIARAD-AWEZNQCLSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C(C)(C)C(C)(C)C)C1 ZINC001150141291 1379501271 /nfs/dbraw/zinc/50/12/71/1379501271.db2.gz ZMQZWXIUUIARAD-AWEZNQCLSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C[C@H](C)CC(C)C)C1 ZINC001150573132 1379571350 /nfs/dbraw/zinc/57/13/50/1379571350.db2.gz ZMLZPVAANHDJHU-ZBFHGGJFSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C[C@H](C)CC(C)C)C1 ZINC001150573132 1379571355 /nfs/dbraw/zinc/57/13/55/1379571355.db2.gz ZMLZPVAANHDJHU-ZBFHGGJFSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001150589109 1379574197 /nfs/dbraw/zinc/57/41/97/1379574197.db2.gz SYLPCWSSZLSTSH-GOEBONIOSA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001150589109 1379574198 /nfs/dbraw/zinc/57/41/98/1379574198.db2.gz SYLPCWSSZLSTSH-GOEBONIOSA-N 1 2 344.927 3.408 20 30 EGEDLO CCCCCCCC[C@H](C)C(=O)NCC[NH2+]Cc1csnn1 ZINC001151848363 1379798831 /nfs/dbraw/zinc/79/88/31/1379798831.db2.gz LQWARZGMACZQPS-AWEZNQCLSA-N 1 2 326.510 3.131 20 30 EGEDLO C=CCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1nc(-c2ccccc2)no1 ZINC001152313173 1379906359 /nfs/dbraw/zinc/90/63/59/1379906359.db2.gz IJNWQGXLOAJBNA-OAHLLOKOSA-N 1 2 342.443 3.029 20 30 EGEDLO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc(-c2ccccc2)no1 ZINC001152313173 1379906366 /nfs/dbraw/zinc/90/63/66/1379906366.db2.gz IJNWQGXLOAJBNA-OAHLLOKOSA-N 1 2 342.443 3.029 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@H](C)C1CC1 ZINC001152636348 1379960138 /nfs/dbraw/zinc/96/01/38/1379960138.db2.gz IYBHUOHJMKKPSJ-ZIAGYGMSSA-N 1 2 331.435 3.070 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@H](C)C1CC1 ZINC001152636348 1379960140 /nfs/dbraw/zinc/96/01/40/1379960140.db2.gz IYBHUOHJMKKPSJ-ZIAGYGMSSA-N 1 2 331.435 3.070 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ncoc1C(C)C ZINC001152867394 1379988175 /nfs/dbraw/zinc/98/81/75/1379988175.db2.gz ONOUHRWUSQJNQY-MRXNPFEDSA-N 1 2 333.476 3.318 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncoc1C(C)C ZINC001152867394 1379988177 /nfs/dbraw/zinc/98/81/77/1379988177.db2.gz ONOUHRWUSQJNQY-MRXNPFEDSA-N 1 2 333.476 3.318 20 30 EGEDLO CC[N@H+](Cc1c(Cl)cccc1OC)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153233165 1380041250 /nfs/dbraw/zinc/04/12/50/1380041250.db2.gz WFURNHWBKVFVFI-CQSZACIVSA-N 1 2 348.874 3.089 20 30 EGEDLO CC[N@@H+](Cc1c(Cl)cccc1OC)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153233165 1380041251 /nfs/dbraw/zinc/04/12/51/1380041251.db2.gz WFURNHWBKVFVFI-CQSZACIVSA-N 1 2 348.874 3.089 20 30 EGEDLO C=CCC1(C(=O)NCC[NH2+]Cc2nc(C(C)C)ns2)CCCC1 ZINC001153814226 1380134768 /nfs/dbraw/zinc/13/47/68/1380134768.db2.gz WFYNERUEXTUMME-UHFFFAOYSA-N 1 2 336.505 3.004 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C1CCC1 ZINC001153975801 1380166753 /nfs/dbraw/zinc/16/67/53/1380166753.db2.gz ZGXYRDOJYPVGLG-OLZOCXBDSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C1CCC1 ZINC001153975801 1380166754 /nfs/dbraw/zinc/16/67/54/1380166754.db2.gz ZGXYRDOJYPVGLG-OLZOCXBDSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC1(C)C ZINC001154757049 1380346582 /nfs/dbraw/zinc/34/65/82/1380346582.db2.gz KMXUYNVFVKNKCV-CHWSQXEVSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC1(C)C ZINC001154757049 1380346584 /nfs/dbraw/zinc/34/65/84/1380346584.db2.gz KMXUYNVFVKNKCV-CHWSQXEVSA-N 1 2 331.298 3.158 20 30 EGEDLO C=CCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1noc2c1CCCC2 ZINC001154957885 1380381198 /nfs/dbraw/zinc/38/11/98/1380381198.db2.gz RHGMNJDJAYCECZ-OAHLLOKOSA-N 1 2 333.476 3.236 20 30 EGEDLO C=CCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1noc2c1CCCC2 ZINC001154957885 1380381200 /nfs/dbraw/zinc/38/12/00/1380381200.db2.gz RHGMNJDJAYCECZ-OAHLLOKOSA-N 1 2 333.476 3.236 20 30 EGEDLO N#CC1(CNc2ncnc3c2C[N@H+](Cc2ccccc2)CC3)CCC1 ZINC001154992435 1380387363 /nfs/dbraw/zinc/38/73/63/1380387363.db2.gz LQHXKAGVBYQILE-UHFFFAOYSA-N 1 2 333.439 3.141 20 30 EGEDLO N#CC1(CNc2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)CCC1 ZINC001154992435 1380387364 /nfs/dbraw/zinc/38/73/64/1380387364.db2.gz LQHXKAGVBYQILE-UHFFFAOYSA-N 1 2 333.439 3.141 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1CCC ZINC001155149924 1380416535 /nfs/dbraw/zinc/41/65/35/1380416535.db2.gz VETLWWQCEAWKIA-MGPQQGTHSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1CCC ZINC001155149924 1380416534 /nfs/dbraw/zinc/41/65/34/1380416534.db2.gz VETLWWQCEAWKIA-MGPQQGTHSA-N 1 2 331.298 3.158 20 30 EGEDLO CC(C)(C)C(=O)OCn1ccc2c1nc[nH+]c2NC1=CC(=O)CCC1 ZINC001155708279 1380485563 /nfs/dbraw/zinc/48/55/63/1380485563.db2.gz FMOQDLNIFXECJA-UHFFFAOYSA-N 1 2 342.399 3.027 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@H](C)C1CC1 ZINC001157146021 1380785568 /nfs/dbraw/zinc/78/55/68/1380785568.db2.gz NLQIPGBWHAEYOL-WCQYABFASA-N 1 2 331.298 3.158 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)C1CC1 ZINC001157146021 1380785572 /nfs/dbraw/zinc/78/55/72/1380785572.db2.gz NLQIPGBWHAEYOL-WCQYABFASA-N 1 2 331.298 3.158 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2ncc(C)cn2)CCCC1 ZINC001157364575 1380854351 /nfs/dbraw/zinc/85/43/51/1380854351.db2.gz VAESVXGZXWGCOW-QGZVFWFLSA-N 1 2 344.503 3.248 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2ncc(C)cn2)CCCC1 ZINC001157364575 1380854354 /nfs/dbraw/zinc/85/43/54/1380854354.db2.gz VAESVXGZXWGCOW-QGZVFWFLSA-N 1 2 344.503 3.248 20 30 EGEDLO C=CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccn(C(C)C)n1 ZINC001157711580 1381011470 /nfs/dbraw/zinc/01/14/70/1381011470.db2.gz UWPHEMWPMHWYKA-GOSISDBHSA-N 1 2 332.492 3.243 20 30 EGEDLO C=CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccn(C(C)C)n1 ZINC001157711580 1381011474 /nfs/dbraw/zinc/01/14/74/1381011474.db2.gz UWPHEMWPMHWYKA-GOSISDBHSA-N 1 2 332.492 3.243 20 30 EGEDLO CC(C)C(=O)N(C)C1CCN(c2[nH+]ccc3ccc(C#N)cc32)CC1 ZINC001157958436 1381082545 /nfs/dbraw/zinc/08/25/45/1381082545.db2.gz VRMNKSFXEDIYQX-UHFFFAOYSA-N 1 2 336.439 3.190 20 30 EGEDLO CC#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nc(C)oc1C ZINC001158357815 1381216140 /nfs/dbraw/zinc/21/61/40/1381216140.db2.gz PGQAWYVEEDVVBM-GOSISDBHSA-N 1 2 345.487 3.298 20 30 EGEDLO CC#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nc(C)oc1C ZINC001158357815 1381216145 /nfs/dbraw/zinc/21/61/45/1381216145.db2.gz PGQAWYVEEDVVBM-GOSISDBHSA-N 1 2 345.487 3.298 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nccc(C)n1 ZINC001158370644 1381222391 /nfs/dbraw/zinc/22/23/91/1381222391.db2.gz XGYWRMABYCTVFC-FUHWJXTLSA-N 1 2 344.503 3.200 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nccc(C)n1 ZINC001158370644 1381222397 /nfs/dbraw/zinc/22/23/97/1381222397.db2.gz XGYWRMABYCTVFC-FUHWJXTLSA-N 1 2 344.503 3.200 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1snnc1C ZINC001158419376 1381239576 /nfs/dbraw/zinc/23/95/76/1381239576.db2.gz NDPKZLQAMLLFLV-OAHLLOKOSA-N 1 2 336.505 3.016 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1snnc1C ZINC001158419376 1381239582 /nfs/dbraw/zinc/23/95/82/1381239582.db2.gz NDPKZLQAMLLFLV-OAHLLOKOSA-N 1 2 336.505 3.016 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nc(C)oc1C ZINC001158419754 1381240085 /nfs/dbraw/zinc/24/00/85/1381240085.db2.gz ZNTUAXKDWMEDPR-QGZVFWFLSA-N 1 2 333.476 3.461 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nc(C)oc1C ZINC001158419754 1381240093 /nfs/dbraw/zinc/24/00/93/1381240093.db2.gz ZNTUAXKDWMEDPR-QGZVFWFLSA-N 1 2 333.476 3.461 20 30 EGEDLO N#Cc1cc2c(nc1N1CC[C@@H]([NH+]3CCCC3)C(F)(F)C1)CCCC2 ZINC001158629912 1381330694 /nfs/dbraw/zinc/33/06/94/1381330694.db2.gz XAFJIUGWOJWJAE-QGZVFWFLSA-N 1 2 346.425 3.142 20 30 EGEDLO CCC(=O)On1nc2c(c1N=C1CCCCCCC1)C[NH2+]C2(C)C ZINC001159392704 1381784657 /nfs/dbraw/zinc/78/46/57/1381784657.db2.gz LNUMZCLAOVZAIK-UHFFFAOYSA-N 1 2 332.448 3.237 20 30 EGEDLO CCC(=O)On1nc2c(c1NC1=CCCCCCC1)C[NH2+]C2(C)C ZINC001159392704 1381784660 /nfs/dbraw/zinc/78/46/60/1381784660.db2.gz LNUMZCLAOVZAIK-UHFFFAOYSA-N 1 2 332.448 3.237 20 30 EGEDLO C[C@H]1CC(=O)C=C(Nc2ccc(O[C@H]3CC[NH2+]CC3(F)F)cc2)C1 ZINC001160350680 1382079859 /nfs/dbraw/zinc/07/98/59/1382079859.db2.gz OUJSCPURWCSAFH-PXAZEXFGSA-N 1 2 336.382 3.357 20 30 EGEDLO COC[C@H](Nc1[nH+]ccc2ccc(C#N)cc21)[C@@H](O)c1ccccc1 ZINC001160939639 1382242383 /nfs/dbraw/zinc/24/23/83/1382242383.db2.gz RPHZHGKZLIHATE-OALUTQOASA-N 1 2 333.391 3.267 20 30 EGEDLO C[C@@H](NC(=O)c1ccccc1OCC#N)c1ccc(-n2cc[nH+]c2)cc1 ZINC001161013101 1382271791 /nfs/dbraw/zinc/27/17/91/1382271791.db2.gz LEGBKFFBCRHMPR-OAHLLOKOSA-N 1 2 346.390 3.266 20 30 EGEDLO C=C1CCC(C(=O)NCCC2=CC[N@H+](Cc3coc(C)n3)CC2)CC1 ZINC001161113092 1382302515 /nfs/dbraw/zinc/30/25/15/1382302515.db2.gz OFFDGJAXFSHNPL-UHFFFAOYSA-N 1 2 343.471 3.368 20 30 EGEDLO C=C1CCC(C(=O)NCCC2=CC[N@@H+](Cc3coc(C)n3)CC2)CC1 ZINC001161113092 1382302520 /nfs/dbraw/zinc/30/25/20/1382302520.db2.gz OFFDGJAXFSHNPL-UHFFFAOYSA-N 1 2 343.471 3.368 20 30 EGEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(N[C@@H](CO)CC(C)C)[nH+]1 ZINC001162369119 1382741536 /nfs/dbraw/zinc/74/15/36/1382741536.db2.gz SHMPGUVQPFYWAR-UQFXPXATSA-N 1 2 339.505 3.090 20 30 EGEDLO COCc1cccc([C@@H](CO)Nc2[nH+]ccc3ccc(C#N)cc32)c1 ZINC001162913158 1382914728 /nfs/dbraw/zinc/91/47/28/1382914728.db2.gz XLMAKBPPIICBSE-LJQANCHMSA-N 1 2 333.391 3.398 20 30 EGEDLO N#Cc1cc(Cl)nc(C(F)(F)NCc2ccc3[nH+]ccn3c2)c1 ZINC001163139585 1382975086 /nfs/dbraw/zinc/97/50/86/1382975086.db2.gz RJZFQPCJLOCRAC-UHFFFAOYSA-N 1 2 333.729 3.093 20 30 EGEDLO C=CCCCC(=O)NCCC[NH2+]Cc1noc(C2CCCCC2)n1 ZINC001165543133 1383308908 /nfs/dbraw/zinc/30/89/08/1383308908.db2.gz ZFEMJEJYFAOEIB-UHFFFAOYSA-N 1 2 334.464 3.070 20 30 EGEDLO C=CCOC(=O)[C@@H](Nc1cc(N)c(C(F)(F)F)c[nH+]1)[C@@H](C)CC ZINC001167955566 1383778294 /nfs/dbraw/zinc/77/82/94/1383778294.db2.gz SVQHRGOMZDPUQV-ZANVPECISA-N 1 2 331.338 3.238 20 30 EGEDLO N#Cc1nc(NCCc2cn3ccccc3[nH+]2)ccc1Br ZINC001169009163 1384087335 /nfs/dbraw/zinc/08/73/35/1384087335.db2.gz NNDAKHBAKOCJCU-UHFFFAOYSA-N 1 2 342.200 3.018 20 30 EGEDLO COC(=O)n1ncc(C#N)c1Nc1ccc2[nH+]c(C)n(C(C)C)c2c1 ZINC001169968575 1384207267 /nfs/dbraw/zinc/20/72/67/1384207267.db2.gz WWYDXODFPGIHNW-UHFFFAOYSA-N 1 2 338.371 3.352 20 30 EGEDLO CCOCc1cnc2n1CC[N@H+]([C@H](C)Cc1cccc(C#N)c1)[C@H]2C ZINC001171211594 1384469875 /nfs/dbraw/zinc/46/98/75/1384469875.db2.gz FNMBFBCPIWLUSU-CVEARBPZSA-N 1 2 338.455 3.299 20 30 EGEDLO CCOCc1cnc2n1CC[N@@H+]([C@H](C)Cc1cccc(C#N)c1)[C@H]2C ZINC001171211594 1384469877 /nfs/dbraw/zinc/46/98/77/1384469877.db2.gz FNMBFBCPIWLUSU-CVEARBPZSA-N 1 2 338.455 3.299 20 30 EGEDLO COc1ccccc1C[NH+]1CCN([C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171220502 1384472191 /nfs/dbraw/zinc/47/21/91/1384472191.db2.gz AVGQDRVBZGNYPA-GOSISDBHSA-N 1 2 349.478 3.316 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)CCc1ccccc1 ZINC001316608750 1384478182 /nfs/dbraw/zinc/47/81/82/1384478182.db2.gz YWFHKIBLTOUTGA-NRFANRHFSA-N 1 2 347.462 3.224 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)CCc1ccccc1 ZINC001316608750 1384478187 /nfs/dbraw/zinc/47/81/87/1384478187.db2.gz YWFHKIBLTOUTGA-NRFANRHFSA-N 1 2 347.462 3.224 20 30 EGEDLO C=CCOc1ccccc1[C@@H](C)Nc1cc2c(c[nH+]1)OCC(=O)N2 ZINC001171368413 1384504220 /nfs/dbraw/zinc/50/42/20/1384504220.db2.gz DRROQJQXBRPREZ-GFCCVEGCSA-N 1 2 325.368 3.150 20 30 EGEDLO N#Cc1ccc(OCCNc2cc[nH+]c(OCc3ccccn3)c2)cc1 ZINC001171484871 1384537205 /nfs/dbraw/zinc/53/72/05/1384537205.db2.gz UTLGUEMAUAVEDM-UHFFFAOYSA-N 1 2 346.390 3.418 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(Cc3ccccc3F)CC2)C1 ZINC001316989586 1384746570 /nfs/dbraw/zinc/74/65/70/1384746570.db2.gz WJWMMROLAHXUGQ-OAHLLOKOSA-N 1 2 336.838 3.091 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(Cc3ccccc3F)CC2)C1 ZINC001316989586 1384746572 /nfs/dbraw/zinc/74/65/72/1384746572.db2.gz WJWMMROLAHXUGQ-OAHLLOKOSA-N 1 2 336.838 3.091 20 30 EGEDLO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1Cc2nnc(C(F)(F)F)n2[C@@H](C)C1 ZINC001172312566 1384767579 /nfs/dbraw/zinc/76/75/79/1384767579.db2.gz GZMFEIAGRGRZAF-NEPJUHHUSA-N 1 2 349.360 3.176 20 30 EGEDLO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1Cc2nnc(C(F)(F)F)n2[C@@H](C)C1 ZINC001172312566 1384767582 /nfs/dbraw/zinc/76/75/82/1384767582.db2.gz GZMFEIAGRGRZAF-NEPJUHHUSA-N 1 2 349.360 3.176 20 30 EGEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](C)CCOCC(C)C ZINC001172458569 1384797008 /nfs/dbraw/zinc/79/70/08/1384797008.db2.gz AKDKFYHFRMETEX-HKUYNNGSSA-N 1 2 333.472 3.368 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CCCC2(F)F)C[C@H]1C#N ZINC001172982574 1384895723 /nfs/dbraw/zinc/89/57/23/1384895723.db2.gz DPXPMPDYJJXFDH-AGIUHOORSA-N 1 2 329.391 3.055 20 30 EGEDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001173239008 1384943166 /nfs/dbraw/zinc/94/31/66/1384943166.db2.gz ZZWPAAJGVFUMFR-CQSZACIVSA-N 1 2 337.379 3.161 20 30 EGEDLO C=C1CC=C(F)C=C1[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173428825 1384969371 /nfs/dbraw/zinc/96/93/71/1384969371.db2.gz WOPKRIKUHJTXJK-UHFFFAOYSA-N 1 2 337.398 3.450 20 30 EGEDLO CC1(C#N)CCC([N@@H+]2CCN3C[C@H](Oc4ccccc4)C[C@@H]3C2)CC1 ZINC001173594700 1384983386 /nfs/dbraw/zinc/98/33/86/1384983386.db2.gz JXVMYUSQZGQKIM-WNKNEZEQSA-N 1 2 339.483 3.296 20 30 EGEDLO CC1(C#N)CCC([N@H+]2CCN3C[C@H](Oc4ccccc4)C[C@@H]3C2)CC1 ZINC001173594700 1384983387 /nfs/dbraw/zinc/98/33/87/1384983387.db2.gz JXVMYUSQZGQKIM-WNKNEZEQSA-N 1 2 339.483 3.296 20 30 EGEDLO N#CCc1cccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC001174434607 1385108477 /nfs/dbraw/zinc/10/84/77/1385108477.db2.gz OICVVHWFJFJYEE-UHFFFAOYSA-N 1 2 337.423 3.207 20 30 EGEDLO N#C[C@@]1(C(=O)N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)CC12CCCC2 ZINC001336025505 1388992538 /nfs/dbraw/zinc/99/25/38/1388992538.db2.gz PYHIHMKWNSSYBO-VQIMIIECSA-N 1 2 343.858 3.287 20 30 EGEDLO C=CCC1(C(=O)NCCC[NH2+]Cc2noc(C(C)(C)C)n2)CCCC1 ZINC001177553014 1385995621 /nfs/dbraw/zinc/99/56/21/1385995621.db2.gz UYGLWLNONJKOCQ-UHFFFAOYSA-N 1 2 348.491 3.100 20 30 EGEDLO CC(C)(C#N)c1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccco2)cn1 ZINC001177616201 1386007634 /nfs/dbraw/zinc/00/76/34/1386007634.db2.gz LZOCLSGPYIYBNN-MRXNPFEDSA-N 1 2 338.411 3.079 20 30 EGEDLO CC(C)(C#N)c1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccco2)cn1 ZINC001177616201 1386007638 /nfs/dbraw/zinc/00/76/38/1386007638.db2.gz LZOCLSGPYIYBNN-MRXNPFEDSA-N 1 2 338.411 3.079 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1ccc(Cl)s1 ZINC001320078748 1386496440 /nfs/dbraw/zinc/49/64/40/1386496440.db2.gz KVBQLANPBIUTIY-UHFFFAOYSA-N 1 2 347.871 3.477 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1ccc(Cl)s1 ZINC001320078748 1386496442 /nfs/dbraw/zinc/49/64/42/1386496442.db2.gz KVBQLANPBIUTIY-UHFFFAOYSA-N 1 2 347.871 3.477 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)COc1cccc(C(C)C)c1 ZINC001322161840 1387083939 /nfs/dbraw/zinc/08/39/39/1387083939.db2.gz WCFZQCDWSSJKQO-HNNXBMFYSA-N 1 2 338.879 3.378 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)COc1cccc(C(C)C)c1 ZINC001322161840 1387083942 /nfs/dbraw/zinc/08/39/42/1387083942.db2.gz WCFZQCDWSSJKQO-HNNXBMFYSA-N 1 2 338.879 3.378 20 30 EGEDLO O=c1[nH]c(N[NH+]=Cc2ccc(N3CCCC3)cc2)nc2ccccc21 ZINC001322495436 1387195633 /nfs/dbraw/zinc/19/56/33/1387195633.db2.gz MZAIZMWXEXLGFP-UHFFFAOYSA-N 1 2 333.395 3.382 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nc(CCCC)no2)C1 ZINC001182894265 1387240735 /nfs/dbraw/zinc/24/07/35/1387240735.db2.gz SLBPOEASVZDVLZ-HUUCEWRRSA-N 1 2 348.491 3.266 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1c[nH]c2cccc(C)c12 ZINC001329592399 1389172263 /nfs/dbraw/zinc/17/22/63/1389172263.db2.gz OKXIYUIUZTWANM-AWEZNQCLSA-N 1 2 333.863 3.208 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1c[nH]c2cccc(C)c12 ZINC001329592399 1389172265 /nfs/dbraw/zinc/17/22/65/1389172265.db2.gz OKXIYUIUZTWANM-AWEZNQCLSA-N 1 2 333.863 3.208 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCCC(F)(F)F)[C@H]1C ZINC001332206176 1390043206 /nfs/dbraw/zinc/04/32/06/1390043206.db2.gz NKLTYABSQNFJQI-VXGBXAGGSA-N 1 2 326.790 3.441 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)CCC(F)(F)F ZINC001342225409 1390587452 /nfs/dbraw/zinc/58/74/52/1390587452.db2.gz PJMPPPAHSHRCNI-CYBMUJFWSA-N 1 2 345.413 3.400 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)CCC(F)(F)F ZINC001342225409 1390587455 /nfs/dbraw/zinc/58/74/55/1390587455.db2.gz PJMPPPAHSHRCNI-CYBMUJFWSA-N 1 2 345.413 3.400 20 30 EGEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(CC)[C@H](C)CC ZINC001342355276 1390604405 /nfs/dbraw/zinc/60/44/05/1390604405.db2.gz ONVXJOMOGYXMTK-IAGOWNOFSA-N 1 2 349.523 3.261 20 30 EGEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(CC)[C@H](C)CC ZINC001342355276 1390604408 /nfs/dbraw/zinc/60/44/08/1390604408.db2.gz ONVXJOMOGYXMTK-IAGOWNOFSA-N 1 2 349.523 3.261 20 30 EGEDLO C=CCn1cc(C[NH2+]Cc2sccc2NC(=O)OC(C)(C)C)nn1 ZINC001335073982 1390638838 /nfs/dbraw/zinc/63/88/38/1390638838.db2.gz SZXIBGMFOQGQNX-UHFFFAOYSA-N 1 2 349.460 3.162 20 30 EGEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001343314464 1390706609 /nfs/dbraw/zinc/70/66/09/1390706609.db2.gz FXIGUUTUBYROOS-OAHLLOKOSA-N 1 2 342.491 3.051 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)Cc1ccsc1 ZINC001343553548 1390722247 /nfs/dbraw/zinc/72/22/47/1390722247.db2.gz IEXALPXSHJVZLX-HNNXBMFYSA-N 1 2 331.489 3.319 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)Cc1ccsc1 ZINC001343553548 1390722248 /nfs/dbraw/zinc/72/22/48/1390722248.db2.gz IEXALPXSHJVZLX-HNNXBMFYSA-N 1 2 331.489 3.319 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(CC)CCSC ZINC001343767699 1390735985 /nfs/dbraw/zinc/73/59/85/1390735985.db2.gz GIHDQUGKXZISCV-HNNXBMFYSA-N 1 2 337.537 3.200 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N(CC)CCSC ZINC001343767699 1390735986 /nfs/dbraw/zinc/73/59/86/1390735986.db2.gz GIHDQUGKXZISCV-HNNXBMFYSA-N 1 2 337.537 3.200 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC(C)(F)CC1 ZINC001343927752 1390744766 /nfs/dbraw/zinc/74/47/66/1390744766.db2.gz JVGIJTWZTTZOJK-OAHLLOKOSA-N 1 2 335.471 3.339 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC(C)(F)CC1 ZINC001343927752 1390744767 /nfs/dbraw/zinc/74/47/67/1390744767.db2.gz JVGIJTWZTTZOJK-OAHLLOKOSA-N 1 2 335.471 3.339 20 30 EGEDLO C[C@H](CC(=O)[C@@H](C#N)c1nc2c(cccc2Cl)[nH]1)n1cc[nH+]c1 ZINC001347392713 1391067466 /nfs/dbraw/zinc/06/74/66/1391067466.db2.gz XXIKHYIBDQDQIV-GHMZBOCLSA-N 1 2 327.775 3.240 20 30 EGEDLO N#Cc1ccc(Oc2ccc(NC(=O)CCCn3cc[nH+]c3)cc2)nc1 ZINC001351717572 1391678632 /nfs/dbraw/zinc/67/86/32/1391678632.db2.gz LNDFLPKHVQZXNY-UHFFFAOYSA-N 1 2 347.378 3.361 20 30 EGEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)C1CCC(CC)CC1 ZINC001352093813 1391758230 /nfs/dbraw/zinc/75/82/30/1391758230.db2.gz OXWNEJGDLMORET-UHFFFAOYSA-N 1 2 342.491 3.193 20 30 EGEDLO C#CCC1(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)CCCCC1 ZINC001353787150 1392088700 /nfs/dbraw/zinc/08/87/00/1392088700.db2.gz DKZAPYWJAXOQDK-SFHVURJKSA-N 1 2 328.431 3.272 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)c2conc2C)CC1 ZINC001479995744 1392527631 /nfs/dbraw/zinc/52/76/31/1392527631.db2.gz USRUFOCERUQSLS-UHFFFAOYSA-N 1 2 325.840 3.052 20 30 EGEDLO CCC(CC)C(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001490427637 1394225105 /nfs/dbraw/zinc/22/51/05/1394225105.db2.gz FLRDLYXUOQOWTJ-KRWDZBQOSA-N 1 2 331.435 3.214 20 30 EGEDLO CCC(CC)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001490427637 1394225110 /nfs/dbraw/zinc/22/51/10/1394225110.db2.gz FLRDLYXUOQOWTJ-KRWDZBQOSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cccc3cn[nH]c32)C1 ZINC001481404245 1394256444 /nfs/dbraw/zinc/25/64/44/1394256444.db2.gz KZEJGXIAUKEVNW-OAHLLOKOSA-N 1 2 346.862 3.242 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cccc3cn[nH]c32)C1 ZINC001481404245 1394256452 /nfs/dbraw/zinc/25/64/52/1394256452.db2.gz KZEJGXIAUKEVNW-OAHLLOKOSA-N 1 2 346.862 3.242 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cccc3c[nH]nc32)C1 ZINC001481404245 1394256457 /nfs/dbraw/zinc/25/64/57/1394256457.db2.gz KZEJGXIAUKEVNW-OAHLLOKOSA-N 1 2 346.862 3.242 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cccc3c[nH]nc32)C1 ZINC001481404245 1394256458 /nfs/dbraw/zinc/25/64/58/1394256458.db2.gz KZEJGXIAUKEVNW-OAHLLOKOSA-N 1 2 346.862 3.242 20 30 EGEDLO C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)c1ccc(N(C)C)cc1 ZINC001482396514 1394958108 /nfs/dbraw/zinc/95/81/08/1394958108.db2.gz MEDKAKUZAXIAMO-MRXNPFEDSA-N 1 2 337.895 3.239 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)C1CC2(CCC2)C1 ZINC001496763958 1396726497 /nfs/dbraw/zinc/72/64/97/1396726497.db2.gz LLLXAJHOFHFGHK-UHFFFAOYSA-N 1 2 325.456 3.029 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)C1CC2(CCC2)C1 ZINC001496763958 1396726499 /nfs/dbraw/zinc/72/64/99/1396726499.db2.gz LLLXAJHOFHFGHK-UHFFFAOYSA-N 1 2 325.456 3.029 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1ccccc1OC(C)C ZINC001498407740 1396987774 /nfs/dbraw/zinc/98/77/74/1396987774.db2.gz DGITVOJMPUNVCL-HNNXBMFYSA-N 1 2 338.879 3.205 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1ccccc1OC(C)C ZINC001498407740 1396987776 /nfs/dbraw/zinc/98/77/76/1396987776.db2.gz DGITVOJMPUNVCL-HNNXBMFYSA-N 1 2 338.879 3.205 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cnn3ccccc23)C1 ZINC001732040006 1428267850 /nfs/dbraw/zinc/26/78/50/1428267850.db2.gz AZMFGVMIYYMQNK-HNNXBMFYSA-N 1 2 346.862 3.013 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cnn3ccccc23)C1 ZINC001732040006 1428267853 /nfs/dbraw/zinc/26/78/53/1428267853.db2.gz AZMFGVMIYYMQNK-HNNXBMFYSA-N 1 2 346.862 3.013 20 30 EGEDLO COc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](NC(=O)C#CC(C)C)C1 ZINC001732091583 1428357889 /nfs/dbraw/zinc/35/78/89/1428357889.db2.gz UHAFBXKDGTUPJH-KRWDZBQOSA-N 1 2 348.874 3.089 20 30 EGEDLO COc1cc(Cl)ccc1C[N@H+]1CCC[C@H](NC(=O)C#CC(C)C)C1 ZINC001732091583 1428357892 /nfs/dbraw/zinc/35/78/92/1428357892.db2.gz UHAFBXKDGTUPJH-KRWDZBQOSA-N 1 2 348.874 3.089 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cc(-c2ccccc2)on1 ZINC001733042622 1429173041 /nfs/dbraw/zinc/17/30/41/1429173041.db2.gz DRVVQTYMYMKBCC-ZDUSSCGKSA-N 1 2 333.819 3.144 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cc(-c2ccccc2)on1 ZINC001733042622 1429173045 /nfs/dbraw/zinc/17/30/45/1429173045.db2.gz DRVVQTYMYMKBCC-ZDUSSCGKSA-N 1 2 333.819 3.144 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cc(C)nn1C(CC)CC ZINC001733043583 1429174007 /nfs/dbraw/zinc/17/40/07/1429174007.db2.gz RDOPSUXXTALJNX-AWEZNQCLSA-N 1 2 340.899 3.355 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cc(C)nn1C(CC)CC ZINC001733043583 1429174009 /nfs/dbraw/zinc/17/40/09/1429174009.db2.gz RDOPSUXXTALJNX-AWEZNQCLSA-N 1 2 340.899 3.355 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2ccccc2Cl)C1 ZINC001713087200 1417634168 /nfs/dbraw/zinc/63/41/68/1417634168.db2.gz NXGIUEWEPGYFQM-DOMZBBRYSA-N 1 2 341.282 3.462 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2ccccc2Cl)C1 ZINC001713087200 1417634170 /nfs/dbraw/zinc/63/41/70/1417634170.db2.gz NXGIUEWEPGYFQM-DOMZBBRYSA-N 1 2 341.282 3.462 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ncc(Cl)cc1Cl ZINC001733058767 1429203904 /nfs/dbraw/zinc/20/39/04/1429203904.db2.gz QNHFSQKGXQEHOJ-VIFPVBQESA-N 1 2 336.650 3.191 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ncc(Cl)cc1Cl ZINC001733058767 1429203909 /nfs/dbraw/zinc/20/39/09/1429203909.db2.gz QNHFSQKGXQEHOJ-VIFPVBQESA-N 1 2 336.650 3.191 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCCc2ccc(Cl)cc2)C1 ZINC001713909310 1418706285 /nfs/dbraw/zinc/70/62/85/1418706285.db2.gz OMXSTFKXFPCULO-UHFFFAOYSA-N 1 2 341.282 3.463 20 30 EGEDLO C[C@@H](C(=O)NCC[N@H+](C)Cc1ccccc1C#N)c1cccc(F)c1 ZINC001714573191 1419307216 /nfs/dbraw/zinc/30/72/16/1419307216.db2.gz RMQDYCUUCIHPGD-OAHLLOKOSA-N 1 2 339.414 3.049 20 30 EGEDLO C[C@@H](C(=O)NCC[N@@H+](C)Cc1ccccc1C#N)c1cccc(F)c1 ZINC001714573191 1419307218 /nfs/dbraw/zinc/30/72/18/1419307218.db2.gz RMQDYCUUCIHPGD-OAHLLOKOSA-N 1 2 339.414 3.049 20 30 EGEDLO C[C@H](C#N)C(=O)N(C)CC[N@H+](C)Cc1cccc(Cl)c1Cl ZINC001715515248 1420200560 /nfs/dbraw/zinc/20/05/60/1420200560.db2.gz OOEZGTIEONMPJH-LLVKDONJSA-N 1 2 328.243 3.043 20 30 EGEDLO C[C@H](C#N)C(=O)N(C)CC[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC001715515248 1420200562 /nfs/dbraw/zinc/20/05/62/1420200562.db2.gz OOEZGTIEONMPJH-LLVKDONJSA-N 1 2 328.243 3.043 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCOc1c(C)cccc1C ZINC001716024195 1420480218 /nfs/dbraw/zinc/48/02/18/1420480218.db2.gz SFSXUTFPCQEEST-MRXNPFEDSA-N 1 2 338.879 3.261 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCOc1c(C)cccc1C ZINC001716024195 1420480221 /nfs/dbraw/zinc/48/02/21/1420480221.db2.gz SFSXUTFPCQEEST-MRXNPFEDSA-N 1 2 338.879 3.261 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cc(C)c2ccccc2n1 ZINC001716029322 1420487613 /nfs/dbraw/zinc/48/76/13/1420487613.db2.gz SSEWEKHWIOWWIV-AWEZNQCLSA-N 1 2 331.847 3.346 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cc(C)c2ccccc2n1 ZINC001716029322 1420487615 /nfs/dbraw/zinc/48/76/15/1420487615.db2.gz SSEWEKHWIOWWIV-AWEZNQCLSA-N 1 2 331.847 3.346 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(-c2cnco2)cc1 ZINC001716485203 1420704167 /nfs/dbraw/zinc/70/41/67/1420704167.db2.gz QAJXGAIJSQODBW-CYBMUJFWSA-N 1 2 333.819 3.144 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(-c2cnco2)cc1 ZINC001716485203 1420704170 /nfs/dbraw/zinc/70/41/70/1420704170.db2.gz QAJXGAIJSQODBW-CYBMUJFWSA-N 1 2 333.819 3.144 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cccc(N2CCCC2)c1 ZINC001716500100 1420726714 /nfs/dbraw/zinc/72/67/14/1420726714.db2.gz VCVCKKHDQMPHDG-HNNXBMFYSA-N 1 2 335.879 3.089 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cccc(N2CCCC2)c1 ZINC001716500100 1420726716 /nfs/dbraw/zinc/72/67/16/1420726716.db2.gz VCVCKKHDQMPHDG-HNNXBMFYSA-N 1 2 335.879 3.089 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)CCC2CCC2)C[C@H]1C ZINC001724993819 1425396910 /nfs/dbraw/zinc/39/69/10/1425396910.db2.gz LIIJHQPVJOQHEO-UKRRQHHQSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)CCC2CCC2)C[C@H]1C ZINC001724993819 1425396914 /nfs/dbraw/zinc/39/69/14/1425396914.db2.gz LIIJHQPVJOQHEO-UKRRQHHQSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CCC2CCC2)C[C@H]1C ZINC001724993816 1425397265 /nfs/dbraw/zinc/39/72/65/1425397265.db2.gz LIIJHQPVJOQHEO-HIFRSBDPSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CCC2CCC2)C[C@H]1C ZINC001724993816 1425397271 /nfs/dbraw/zinc/39/72/71/1425397271.db2.gz LIIJHQPVJOQHEO-HIFRSBDPSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)CCC2CC2)[C@@H]1C ZINC001725648488 1426330940 /nfs/dbraw/zinc/33/09/40/1426330940.db2.gz YXCBMRDLPMVYGM-GXTWGEPZSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)CCC2CC2)[C@@H]1C ZINC001725648488 1426330942 /nfs/dbraw/zinc/33/09/42/1426330942.db2.gz YXCBMRDLPMVYGM-GXTWGEPZSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc2c(c1)CCC2 ZINC001731543872 1427558536 /nfs/dbraw/zinc/55/85/36/1427558536.db2.gz VENSJXUOZYEBNZ-LJQANCHMSA-N 1 2 346.902 3.441 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc2c(c1)CCC2 ZINC001731543872 1427558539 /nfs/dbraw/zinc/55/85/39/1427558539.db2.gz VENSJXUOZYEBNZ-LJQANCHMSA-N 1 2 346.902 3.441 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc2c(cccc2F)s1 ZINC001731792555 1427937294 /nfs/dbraw/zinc/93/72/94/1427937294.db2.gz CVCVPLQHDQJCRV-UHFFFAOYSA-N 1 2 326.824 3.455 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc2c(cccc2F)s1 ZINC001731792555 1427937296 /nfs/dbraw/zinc/93/72/96/1427937296.db2.gz CVCVPLQHDQJCRV-UHFFFAOYSA-N 1 2 326.824 3.455 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H]1COc2cc(C)c(C)cc21)C1CC1 ZINC001731880282 1428150280 /nfs/dbraw/zinc/15/02/80/1428150280.db2.gz GDONOBNFLPPEPG-KRWDZBQOSA-N 1 2 348.874 3.113 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H]1COc2cc(C)c(C)cc21)C1CC1 ZINC001731880282 1428150284 /nfs/dbraw/zinc/15/02/84/1428150284.db2.gz GDONOBNFLPPEPG-KRWDZBQOSA-N 1 2 348.874 3.113 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cnc(CC(C)C)s1)C1CC1 ZINC001731884654 1428158673 /nfs/dbraw/zinc/15/86/73/1428158673.db2.gz ZPGKKTBJMDKNLU-UHFFFAOYSA-N 1 2 341.908 3.288 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cnc(CC(C)C)s1)C1CC1 ZINC001731884654 1428158670 /nfs/dbraw/zinc/15/86/70/1428158670.db2.gz ZPGKKTBJMDKNLU-UHFFFAOYSA-N 1 2 341.908 3.288 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2noc(C3CCCCC3)n2)C1 ZINC001752634864 1440197261 /nfs/dbraw/zinc/19/72/61/1440197261.db2.gz RMPNCWLETRVJLX-WKILWMFISA-N 1 2 346.475 3.210 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC001753098296 1440303443 /nfs/dbraw/zinc/30/34/43/1440303443.db2.gz UXJSKQJTNHJJGA-WCQYABFASA-N 1 2 340.254 3.234 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC001753098296 1440303444 /nfs/dbraw/zinc/30/34/44/1440303444.db2.gz UXJSKQJTNHJJGA-WCQYABFASA-N 1 2 340.254 3.234 20 30 EGEDLO CC#CCCCC(=O)NC[C@H]1CCC[N@H+]1Cc1csc(CCC)n1 ZINC001753108086 1440306921 /nfs/dbraw/zinc/30/69/21/1440306921.db2.gz HYVIYEPSVJYRJF-QGZVFWFLSA-N 1 2 347.528 3.370 20 30 EGEDLO CC#CCCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1csc(CCC)n1 ZINC001753108086 1440306922 /nfs/dbraw/zinc/30/69/22/1440306922.db2.gz HYVIYEPSVJYRJF-QGZVFWFLSA-N 1 2 347.528 3.370 20 30 EGEDLO C=CCC(C)(C)C(=O)NCC[N@H+](Cc1cnc(Cl)s1)C1CC1 ZINC001753159755 1440333205 /nfs/dbraw/zinc/33/32/05/1440333205.db2.gz BUZKPPLYBFUEQT-UHFFFAOYSA-N 1 2 341.908 3.479 20 30 EGEDLO C=CCC(C)(C)C(=O)NCC[N@@H+](Cc1cnc(Cl)s1)C1CC1 ZINC001753159755 1440333206 /nfs/dbraw/zinc/33/32/06/1440333206.db2.gz BUZKPPLYBFUEQT-UHFFFAOYSA-N 1 2 341.908 3.479 20 30 EGEDLO CC[C@H](C)[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001753309683 1440356185 /nfs/dbraw/zinc/35/61/85/1440356185.db2.gz UXICJIWAWVCNEB-ACZWYYKOSA-N 1 2 339.483 3.416 20 30 EGEDLO CC[C@H](C)[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001753309683 1440356186 /nfs/dbraw/zinc/35/61/86/1440356186.db2.gz UXICJIWAWVCNEB-ACZWYYKOSA-N 1 2 339.483 3.416 20 30 EGEDLO CCCN(C(=O)C#CC1CC1)[C@H]1CC[N@H+](Cc2c(F)cccc2F)C1 ZINC001753316088 1440359705 /nfs/dbraw/zinc/35/97/05/1440359705.db2.gz LDHZYSIVKBOMDS-INIZCTEOSA-N 1 2 346.421 3.191 20 30 EGEDLO CCCN(C(=O)C#CC1CC1)[C@H]1CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC001753316088 1440359706 /nfs/dbraw/zinc/35/97/06/1440359706.db2.gz LDHZYSIVKBOMDS-INIZCTEOSA-N 1 2 346.421 3.191 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2ccc3c(c2)COC3)C1 ZINC001753320153 1440362864 /nfs/dbraw/zinc/36/28/64/1440362864.db2.gz UOIJDLNOPSNANO-SFHVURJKSA-N 1 2 348.874 3.396 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccc3c(c2)COC3)C1 ZINC001753320153 1440362865 /nfs/dbraw/zinc/36/28/65/1440362865.db2.gz UOIJDLNOPSNANO-SFHVURJKSA-N 1 2 348.874 3.396 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)C1 ZINC001753406991 1440392234 /nfs/dbraw/zinc/39/22/34/1440392234.db2.gz RFBDBRUFNWTERC-MSOLQXFVSA-N 1 2 332.875 3.056 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCC1C[NH+](Cc2nsc3ccccc32)C1 ZINC001753407511 1440392281 /nfs/dbraw/zinc/39/22/81/1440392281.db2.gz MOIPAMVDWPFUPC-UHFFFAOYSA-N 1 2 343.496 3.447 20 30 EGEDLO CC1(C(=O)NCC2C[NH+](CC#Cc3cccc(Cl)c3)C2)CC=CC1 ZINC001753409589 1440392827 /nfs/dbraw/zinc/39/28/27/1440392827.db2.gz SZDZCGNURSTDQW-UHFFFAOYSA-N 1 2 342.870 3.096 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)CCCC(C)C)C1 ZINC001753443889 1440402707 /nfs/dbraw/zinc/40/27/07/1440402707.db2.gz GIPQWGCTBTVOMM-CQSZACIVSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)CCCC(C)C)C1 ZINC001753443889 1440402708 /nfs/dbraw/zinc/40/27/08/1440402708.db2.gz GIPQWGCTBTVOMM-CQSZACIVSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001753444187 1440403010 /nfs/dbraw/zinc/40/30/10/1440403010.db2.gz MJFOLYCEMKKVOF-YJBOKZPZSA-N 1 2 335.879 3.370 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001753444187 1440403011 /nfs/dbraw/zinc/40/30/11/1440403011.db2.gz MJFOLYCEMKKVOF-YJBOKZPZSA-N 1 2 335.879 3.370 20 30 EGEDLO C#CCCCCC(=O)N(CC)[C@H]1CC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC001753454197 1440407414 /nfs/dbraw/zinc/40/74/14/1440407414.db2.gz FRAHHVKVKKSMPO-SFHVURJKSA-N 1 2 343.471 3.168 20 30 EGEDLO C#CCCCCC(=O)N(CC)[C@H]1CC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC001753454197 1440407415 /nfs/dbraw/zinc/40/74/15/1440407415.db2.gz FRAHHVKVKKSMPO-SFHVURJKSA-N 1 2 343.471 3.168 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H](CC)OC2CCCC2)C1 ZINC001753460207 1440410259 /nfs/dbraw/zinc/41/02/59/1440410259.db2.gz ZAEBVYMEHVDYIQ-NVXWUHKLSA-N 1 2 342.911 3.400 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](CC)OC2CCCC2)C1 ZINC001753460207 1440410260 /nfs/dbraw/zinc/41/02/60/1440410260.db2.gz ZAEBVYMEHVDYIQ-NVXWUHKLSA-N 1 2 342.911 3.400 20 30 EGEDLO CCCC[C@H](C)C(=O)N(C)CC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001753851920 1440507293 /nfs/dbraw/zinc/50/72/93/1440507293.db2.gz VKBKHTGUAIUTTM-HNNXBMFYSA-N 1 2 333.451 3.414 20 30 EGEDLO CCCC[C@H](C)C(=O)N(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001753851920 1440507294 /nfs/dbraw/zinc/50/72/94/1440507294.db2.gz VKBKHTGUAIUTTM-HNNXBMFYSA-N 1 2 333.451 3.414 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(Cl)c1 ZINC001754475452 1440606380 /nfs/dbraw/zinc/60/63/80/1440606380.db2.gz OMXCUNYDCCBLAB-YOEHRIQHSA-N 1 2 336.863 3.012 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(Cl)c1 ZINC001754475452 1440606381 /nfs/dbraw/zinc/60/63/81/1440606381.db2.gz OMXCUNYDCCBLAB-YOEHRIQHSA-N 1 2 336.863 3.012 20 30 EGEDLO CCCC1(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)CCC1 ZINC001754491772 1440610500 /nfs/dbraw/zinc/61/05/00/1440610500.db2.gz PAZPMSHQEYZUGB-CQSZACIVSA-N 1 2 331.485 3.281 20 30 EGEDLO CCCC1(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)CCC1 ZINC001754491772 1440610501 /nfs/dbraw/zinc/61/05/01/1440610501.db2.gz PAZPMSHQEYZUGB-CQSZACIVSA-N 1 2 331.485 3.281 20 30 EGEDLO C=C[C@H](CC(=O)NCC1([NH2+]Cc2coc(C)n2)CC1)c1ccccc1 ZINC001754534060 1440623605 /nfs/dbraw/zinc/62/36/05/1440623605.db2.gz CVDPRROVCHTIKL-MRXNPFEDSA-N 1 2 339.439 3.081 20 30 EGEDLO N#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC=CCCC2)CC1 ZINC001754548186 1440628746 /nfs/dbraw/zinc/62/87/46/1440628746.db2.gz HOGIUGQSNNLQRI-SFHVURJKSA-N 1 2 329.488 3.349 20 30 EGEDLO N#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC=CCCC2)CC1 ZINC001754548186 1440628747 /nfs/dbraw/zinc/62/87/47/1440628747.db2.gz HOGIUGQSNNLQRI-SFHVURJKSA-N 1 2 329.488 3.349 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)COc2c(C)cccc2C)C1 ZINC001754683799 1440663913 /nfs/dbraw/zinc/66/39/13/1440663913.db2.gz VHIRWJXRIJPIJV-GOSISDBHSA-N 1 2 336.863 3.015 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)COc2c(C)cccc2C)C1 ZINC001754683799 1440663914 /nfs/dbraw/zinc/66/39/14/1440663914.db2.gz VHIRWJXRIJPIJV-GOSISDBHSA-N 1 2 336.863 3.015 20 30 EGEDLO C=C(C)C[NH+]1CCC(C)(CNC(=O)c2cnn(CCC)c2C)CC1 ZINC001754720462 1440672972 /nfs/dbraw/zinc/67/29/72/1440672972.db2.gz MSSJFVTYRJEWNF-UHFFFAOYSA-N 1 2 332.492 3.010 20 30 EGEDLO C#CCCCC(=O)NC[C@]1(C)CCC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC001754725723 1440675967 /nfs/dbraw/zinc/67/59/67/1440675967.db2.gz OPFWYYQHPYNTDC-FQEVSTJZSA-N 1 2 343.471 3.074 20 30 EGEDLO C#CCCCC(=O)NC[C@]1(C)CCC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC001754725723 1440675968 /nfs/dbraw/zinc/67/59/68/1440675968.db2.gz OPFWYYQHPYNTDC-FQEVSTJZSA-N 1 2 343.471 3.074 20 30 EGEDLO C=C(C)CCC(=O)NC[C@]1(C)CCC[N@@H+]([C@@H](C)c2nnc(CC)[nH]2)C1 ZINC001754727218 1440677031 /nfs/dbraw/zinc/67/70/31/1440677031.db2.gz KZSLPSHVIGXPIN-KXBFYZLASA-N 1 2 347.507 3.003 20 30 EGEDLO C=C(C)CCC(=O)NC[C@]1(C)CCC[N@H+]([C@@H](C)c2nnc(CC)[nH]2)C1 ZINC001754727218 1440677032 /nfs/dbraw/zinc/67/70/32/1440677032.db2.gz KZSLPSHVIGXPIN-KXBFYZLASA-N 1 2 347.507 3.003 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@]1(C)CCC[N@H+](Cc2coc(C)n2)C1 ZINC001754735443 1440681889 /nfs/dbraw/zinc/68/18/89/1440681889.db2.gz CJLAIEMHJZRBTR-LJQANCHMSA-N 1 2 333.476 3.304 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@]1(C)CCC[N@@H+](Cc2coc(C)n2)C1 ZINC001754735443 1440681890 /nfs/dbraw/zinc/68/18/90/1440681890.db2.gz CJLAIEMHJZRBTR-LJQANCHMSA-N 1 2 333.476 3.304 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2nc(CCC(C)C)no2)CC1 ZINC001755020215 1440726783 /nfs/dbraw/zinc/72/67/83/1440726783.db2.gz AEHCHYPAZINSSX-MRXNPFEDSA-N 1 2 348.491 3.095 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCC[N@H+](Cc2nc(CCC(C)C)no2)CC1 ZINC001755020215 1440726784 /nfs/dbraw/zinc/72/67/84/1440726784.db2.gz AEHCHYPAZINSSX-MRXNPFEDSA-N 1 2 348.491 3.095 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CCC[N@@H+](Cc2nc(CCC)no2)CC1 ZINC001755030093 1440731144 /nfs/dbraw/zinc/73/11/44/1440731144.db2.gz URWHLIIDJAIWEG-KXBFYZLASA-N 1 2 348.491 3.095 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CCC[N@H+](Cc2nc(CCC)no2)CC1 ZINC001755030093 1440731145 /nfs/dbraw/zinc/73/11/45/1440731145.db2.gz URWHLIIDJAIWEG-KXBFYZLASA-N 1 2 348.491 3.095 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)CCC2CC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001755169258 1440768352 /nfs/dbraw/zinc/76/83/52/1440768352.db2.gz LSSYSBVIVPHTSQ-KUHUBIRLSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)CCC2CC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001755169258 1440768353 /nfs/dbraw/zinc/76/83/53/1440768353.db2.gz LSSYSBVIVPHTSQ-KUHUBIRLSA-N 1 2 343.446 3.357 20 30 EGEDLO CC#CCCCC(=O)NC[C@H](C)[N@H+](C)Cc1cc(O)ccc1Cl ZINC001755313319 1440814325 /nfs/dbraw/zinc/81/43/25/1440814325.db2.gz MXHKCZRMIRNBHB-AWEZNQCLSA-N 1 2 336.863 3.176 20 30 EGEDLO CC#CCCCC(=O)NC[C@H](C)[N@@H+](C)Cc1cc(O)ccc1Cl ZINC001755313319 1440814326 /nfs/dbraw/zinc/81/43/26/1440814326.db2.gz MXHKCZRMIRNBHB-AWEZNQCLSA-N 1 2 336.863 3.176 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1C[N@@H+]([C@H](C)c2nnc(CC)o2)CC1(C)C ZINC001755408713 1440845264 /nfs/dbraw/zinc/84/52/64/1440845264.db2.gz UNDHGXQGQGCHSQ-KGLIPLIRSA-N 1 2 348.491 3.122 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1C[N@H+]([C@H](C)c2nnc(CC)o2)CC1(C)C ZINC001755408713 1440845265 /nfs/dbraw/zinc/84/52/65/1440845265.db2.gz UNDHGXQGQGCHSQ-KGLIPLIRSA-N 1 2 348.491 3.122 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ncccn2)CC1(C)C ZINC001755409284 1440845498 /nfs/dbraw/zinc/84/54/98/1440845498.db2.gz YQABSAOLNMKPFF-DOTOQJQBSA-N 1 2 342.487 3.133 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ncccn2)CC1(C)C ZINC001755409284 1440845499 /nfs/dbraw/zinc/84/54/99/1440845499.db2.gz YQABSAOLNMKPFF-DOTOQJQBSA-N 1 2 342.487 3.133 20 30 EGEDLO C=CCCC(=O)N1CC2(C1)CCC[N@@H+](Cc1csc(CC)n1)C2 ZINC001755454326 1440854950 /nfs/dbraw/zinc/85/49/50/1440854950.db2.gz AENGFIYAADFBBL-UHFFFAOYSA-N 1 2 333.501 3.096 20 30 EGEDLO C=CCCC(=O)N1CC2(C1)CCC[N@H+](Cc1csc(CC)n1)C2 ZINC001755454326 1440854951 /nfs/dbraw/zinc/85/49/51/1440854951.db2.gz AENGFIYAADFBBL-UHFFFAOYSA-N 1 2 333.501 3.096 20 30 EGEDLO C=CCCC[NH2+]C[C@H](NC(=O)c1cc2c[nH]ccc-2n1)C(C)(C)C ZINC001755826485 1440927498 /nfs/dbraw/zinc/92/74/98/1440927498.db2.gz RDJVPSSWYQYENN-KRWDZBQOSA-N 1 2 328.460 3.263 20 30 EGEDLO C=C(C)CCC(=O)NCc1ccc(C[NH2+]Cc2ncc(C)o2)cc1F ZINC001755901442 1440944061 /nfs/dbraw/zinc/94/40/61/1440944061.db2.gz RJJGYNLRTDMYJE-UHFFFAOYSA-N 1 2 345.418 3.384 20 30 EGEDLO CC(=O)N1CC[N@H+](Cc2ccc(F)cc2C#N)CC12CCCCC2 ZINC000368467313 168360666 /nfs/dbraw/zinc/36/06/66/168360666.db2.gz RBYUJBJAJNLDNK-UHFFFAOYSA-N 1 2 329.419 3.064 20 30 EGEDLO CC(=O)N1CC[N@@H+](Cc2ccc(F)cc2C#N)CC12CCCCC2 ZINC000368467313 168360669 /nfs/dbraw/zinc/36/06/69/168360669.db2.gz RBYUJBJAJNLDNK-UHFFFAOYSA-N 1 2 329.419 3.064 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cccc4cccnc43)CC2)cc1 ZINC000025182290 202127797 /nfs/dbraw/zinc/12/77/97/202127797.db2.gz LRJFVNZBIZLCLZ-UHFFFAOYSA-N 1 2 342.446 3.424 20 30 EGEDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2sccc2C#N)cc1 ZINC000025415071 202131670 /nfs/dbraw/zinc/13/16/70/202131670.db2.gz GLWWSCIYEHVQPB-MRXNPFEDSA-N 1 2 341.436 3.404 20 30 EGEDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2sccc2C#N)cc1 ZINC000025415071 202131672 /nfs/dbraw/zinc/13/16/72/202131672.db2.gz GLWWSCIYEHVQPB-MRXNPFEDSA-N 1 2 341.436 3.404 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccc(F)cc1F ZINC000024952838 202123765 /nfs/dbraw/zinc/12/37/65/202123765.db2.gz IJBFMGZNTASHMB-LBPRGKRZSA-N 1 2 329.350 3.295 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccc(F)cc1F ZINC000024952838 202123768 /nfs/dbraw/zinc/12/37/68/202123768.db2.gz IJBFMGZNTASHMB-LBPRGKRZSA-N 1 2 329.350 3.295 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccc(F)cc1F ZINC000024952831 202124099 /nfs/dbraw/zinc/12/40/99/202124099.db2.gz IJBFMGZNTASHMB-GFCCVEGCSA-N 1 2 329.350 3.295 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccc(F)cc1F ZINC000024952831 202124103 /nfs/dbraw/zinc/12/41/03/202124103.db2.gz IJBFMGZNTASHMB-GFCCVEGCSA-N 1 2 329.350 3.295 20 30 EGEDLO C#Cc1ccccc1CC(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000298093628 202217179 /nfs/dbraw/zinc/21/71/79/202217179.db2.gz BFGATNOFKGJESH-UHFFFAOYSA-N 1 2 343.430 3.291 20 30 EGEDLO C=CCOCCCC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000079701257 201207349 /nfs/dbraw/zinc/20/73/49/201207349.db2.gz CRNVELQHVDETBV-AWEZNQCLSA-N 1 2 337.489 3.296 20 30 EGEDLO C=CCOCCCC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000079701257 201207351 /nfs/dbraw/zinc/20/73/51/201207351.db2.gz CRNVELQHVDETBV-AWEZNQCLSA-N 1 2 337.489 3.296 20 30 EGEDLO C#CCCCCC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000271348447 201242976 /nfs/dbraw/zinc/24/29/76/201242976.db2.gz FRUWXMBEUASGID-KRWDZBQOSA-N 1 2 329.831 3.473 20 30 EGEDLO C#CCOc1ccc([C@H](C)[NH2+][C@@H](CO)c2c(F)cccc2F)cc1 ZINC000271466599 201244798 /nfs/dbraw/zinc/24/47/98/201244798.db2.gz LCVZTFMTJKAOJE-UGSOOPFHSA-N 1 2 331.362 3.361 20 30 EGEDLO C#CC[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1 ZINC000270224591 201238176 /nfs/dbraw/zinc/23/81/76/201238176.db2.gz PZPUEKWYLREDTE-IBGZPJMESA-N 1 2 348.450 3.246 20 30 EGEDLO C#CC[N@@H+](Cc1nc(-c2cc(Br)cs2)no1)C1CC1 ZINC000274197759 201265761 /nfs/dbraw/zinc/26/57/61/201265761.db2.gz RAFNSBQNVLKLGZ-UHFFFAOYSA-N 1 2 338.230 3.158 20 30 EGEDLO C#CC[N@H+](Cc1nc(-c2cc(Br)cs2)no1)C1CC1 ZINC000274197759 201265763 /nfs/dbraw/zinc/26/57/63/201265763.db2.gz RAFNSBQNVLKLGZ-UHFFFAOYSA-N 1 2 338.230 3.158 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CC[S@@](=O)C[C@@H](C)C2)cc1Cl ZINC000277477297 201301577 /nfs/dbraw/zinc/30/15/77/201301577.db2.gz MMFVHFIBDZHAQW-YEJXKQKISA-N 1 2 327.877 3.105 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CC[S@@](=O)C[C@@H](C)C2)cc1Cl ZINC000277477297 201301580 /nfs/dbraw/zinc/30/15/80/201301580.db2.gz MMFVHFIBDZHAQW-YEJXKQKISA-N 1 2 327.877 3.105 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000279822791 201322894 /nfs/dbraw/zinc/32/28/94/201322894.db2.gz YUHLEFLBHBHGCI-OAHLLOKOSA-N 1 2 326.400 3.316 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000279822791 201322897 /nfs/dbraw/zinc/32/28/97/201322897.db2.gz YUHLEFLBHBHGCI-OAHLLOKOSA-N 1 2 326.400 3.316 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000279937757 201323529 /nfs/dbraw/zinc/32/35/29/201323529.db2.gz BCCCAPZBZDTVKR-SSDOTTSWSA-N 1 2 343.663 3.044 20 30 EGEDLO C=C[C@](C)(O)CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000279137580 201314826 /nfs/dbraw/zinc/31/48/26/201314826.db2.gz CQHFZJKZFBYTOZ-IBGZPJMESA-N 1 2 325.412 3.152 20 30 EGEDLO CC(C)c1nnc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)o1 ZINC000104716437 204116190 /nfs/dbraw/zinc/11/61/90/204116190.db2.gz YLTYHQHWSXAZEE-UHFFFAOYSA-N 1 2 326.400 3.108 20 30 EGEDLO CCS(=O)(=O)CC[N@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000129481295 205198052 /nfs/dbraw/zinc/19/80/52/205198052.db2.gz OFFLKSIWZGXXIY-UHFFFAOYSA-N 1 2 342.464 3.092 20 30 EGEDLO CCS(=O)(=O)CC[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000129481295 205198055 /nfs/dbraw/zinc/19/80/55/205198055.db2.gz OFFLKSIWZGXXIY-UHFFFAOYSA-N 1 2 342.464 3.092 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccsc3C2)c(C#N)c1C ZINC000132649545 205336532 /nfs/dbraw/zinc/33/65/32/205336532.db2.gz QCZYHLMJXBCKRF-LLVKDONJSA-N 1 2 329.425 3.215 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCc3ccsc3C2)c(C#N)c1C ZINC000132649545 205336537 /nfs/dbraw/zinc/33/65/37/205336537.db2.gz QCZYHLMJXBCKRF-LLVKDONJSA-N 1 2 329.425 3.215 20 30 EGEDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(F)c(C#N)c1 ZINC000160522735 206301360 /nfs/dbraw/zinc/30/13/60/206301360.db2.gz FJZUVGSWPPAYJA-UHFFFAOYSA-N 1 2 341.386 3.167 20 30 EGEDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(F)c(C#N)c1 ZINC000160522735 206301364 /nfs/dbraw/zinc/30/13/64/206301364.db2.gz FJZUVGSWPPAYJA-UHFFFAOYSA-N 1 2 341.386 3.167 20 30 EGEDLO CC(C)(C)c1n[nH]cc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000092597180 218154024 /nfs/dbraw/zinc/15/40/24/218154024.db2.gz NGPGWNHEZFYMGA-UHFFFAOYSA-N 1 2 341.434 3.040 20 30 EGEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000177270468 207315797 /nfs/dbraw/zinc/31/57/97/207315797.db2.gz WASKPJGWDJRJTG-UHFFFAOYSA-N 1 2 343.427 3.153 20 30 EGEDLO Cc1cccc(N2CC[NH+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000057323136 132199525 /nfs/dbraw/zinc/19/95/25/132199525.db2.gz ZQTKFMODIYFZCY-KRWDZBQOSA-N 1 2 348.450 3.016 20 30 EGEDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)Cc2ccccc21 ZINC000352948910 141275673 /nfs/dbraw/zinc/27/56/73/141275673.db2.gz VFXFXDYBVNEIGI-SFHVURJKSA-N 1 2 338.382 3.360 20 30 EGEDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)Cc2ccccc21 ZINC000352948910 141275674 /nfs/dbraw/zinc/27/56/74/141275674.db2.gz VFXFXDYBVNEIGI-SFHVURJKSA-N 1 2 338.382 3.360 20 30 EGEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2ccc(F)cc2C#N)CC1 ZINC000171378798 144002716 /nfs/dbraw/zinc/00/27/16/144002716.db2.gz AFYSHHIMMQKDSB-UHFFFAOYSA-N 1 2 334.398 3.281 20 30 EGEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2ccc(F)cc2C#N)CC1 ZINC000171378798 144002717 /nfs/dbraw/zinc/00/27/17/144002717.db2.gz AFYSHHIMMQKDSB-UHFFFAOYSA-N 1 2 334.398 3.281 20 30 EGEDLO COc1cc(C[N@H+](C)Cc2cccc(C#N)c2)c([N+](=O)[O-])cc1F ZINC000184228931 144089381 /nfs/dbraw/zinc/08/93/81/144089381.db2.gz WOOAKHFDIXCFGY-UHFFFAOYSA-N 1 2 329.331 3.246 20 30 EGEDLO COc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)c([N+](=O)[O-])cc1F ZINC000184228931 144089383 /nfs/dbraw/zinc/08/93/83/144089383.db2.gz WOOAKHFDIXCFGY-UHFFFAOYSA-N 1 2 329.331 3.246 20 30 EGEDLO Cn1cc(Cl)cc1C[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000120072908 152248279 /nfs/dbraw/zinc/24/82/79/152248279.db2.gz YDAGULHBIWLLAJ-UHFFFAOYSA-N 1 2 341.802 3.232 20 30 EGEDLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000120072908 152248284 /nfs/dbraw/zinc/24/82/84/152248284.db2.gz YDAGULHBIWLLAJ-UHFFFAOYSA-N 1 2 341.802 3.232 20 30 EGEDLO CC(C)Oc1cccc(C[N@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000120538133 152282980 /nfs/dbraw/zinc/28/29/80/152282980.db2.gz XZPDUAMBHKQNPP-IBGZPJMESA-N 1 2 337.423 3.004 20 30 EGEDLO CC(C)Oc1cccc(C[N@@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000120538133 152282984 /nfs/dbraw/zinc/28/29/84/152282984.db2.gz XZPDUAMBHKQNPP-IBGZPJMESA-N 1 2 337.423 3.004 20 30 EGEDLO Cc1ccc([C@@H](CNc2ccc(C#N)cc2F)[NH+]2CCOCC2)cc1 ZINC000301137578 154022592 /nfs/dbraw/zinc/02/25/92/154022592.db2.gz CTAXOOGPPZYIIL-HXUWFJFHSA-N 1 2 339.414 3.491 20 30 EGEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cnccc3C#N)CC2)cc1 ZINC000345232818 156009256 /nfs/dbraw/zinc/00/92/56/156009256.db2.gz XGDPQWCIXMMTQQ-UHFFFAOYSA-N 1 2 348.450 3.035 20 30 EGEDLO Cn1cc(C[N@@H+]2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)cc1C#N ZINC000248807954 163035841 /nfs/dbraw/zinc/03/58/41/163035841.db2.gz BSYSOJRHWYYWEG-IRXDYDNUSA-N 1 2 349.356 3.223 20 30 EGEDLO Cn1cc(C[N@H+]2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)cc1C#N ZINC000248807954 163035844 /nfs/dbraw/zinc/03/58/44/163035844.db2.gz BSYSOJRHWYYWEG-IRXDYDNUSA-N 1 2 349.356 3.223 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000345762663 164261170 /nfs/dbraw/zinc/26/11/70/164261170.db2.gz AVRCFIGEILBMBT-LJQANCHMSA-N 1 2 337.398 3.325 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000345762663 164261171 /nfs/dbraw/zinc/26/11/71/164261171.db2.gz AVRCFIGEILBMBT-LJQANCHMSA-N 1 2 337.398 3.325 20 30 EGEDLO N#Cc1c(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)cn2ccccc12 ZINC000345943594 164300896 /nfs/dbraw/zinc/30/08/96/164300896.db2.gz REJIDRJJOKXPGT-IBGZPJMESA-N 1 2 331.419 3.254 20 30 EGEDLO N#Cc1c(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)cn2ccccc12 ZINC000345943594 164300898 /nfs/dbraw/zinc/30/08/98/164300898.db2.gz REJIDRJJOKXPGT-IBGZPJMESA-N 1 2 331.419 3.254 20 30 EGEDLO CC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)[C@H](CC)CN1C(C)=O ZINC000359881006 167256994 /nfs/dbraw/zinc/25/69/94/167256994.db2.gz SQATZGOAZLBZIL-QZTJIDSGSA-N 1 2 333.863 3.433 20 30 EGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)[C@H](CC)CN1C(C)=O ZINC000359881006 167256997 /nfs/dbraw/zinc/25/69/97/167256997.db2.gz SQATZGOAZLBZIL-QZTJIDSGSA-N 1 2 333.863 3.433 20 30 EGEDLO C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000365147121 168028070 /nfs/dbraw/zinc/02/80/70/168028070.db2.gz NJYMKPIMKCDGNX-LLVKDONJSA-N 1 2 341.802 3.451 20 30 EGEDLO Cc1cccc2[nH+]c(CN3CCO[C@H](c4cccc(C#N)c4)C3)cn21 ZINC000367141145 168184233 /nfs/dbraw/zinc/18/42/33/168184233.db2.gz PAPFWGMTFWGKIQ-IBGZPJMESA-N 1 2 332.407 3.088 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1F ZINC000192108149 270039153 /nfs/dbraw/zinc/03/91/53/270039153.db2.gz GNFHLOVSZPFXEV-HXUWFJFHSA-N 1 2 334.398 3.080 20 30 EGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C\c1cccc(C#N)c1 ZINC000493542755 270058707 /nfs/dbraw/zinc/05/87/07/270058707.db2.gz AOIGWHPXZNVFAP-KTKRTIGZSA-N 1 2 336.439 3.269 20 30 EGEDLO N#Cc1cccc(OCCCN2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000533817566 270061130 /nfs/dbraw/zinc/06/11/30/270061130.db2.gz DRQVLCYHQRJIFF-UHFFFAOYSA-N 1 2 341.480 3.206 20 30 EGEDLO CC(C)(CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000292663912 265757731 /nfs/dbraw/zinc/75/77/31/265757731.db2.gz NQSRDCROYZKLPR-UHFFFAOYSA-N 1 2 325.456 3.029 20 30 EGEDLO CCCCOC1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000435040259 267011191 /nfs/dbraw/zinc/01/11/91/267011191.db2.gz DVJLJCPRYWQBQS-INIZCTEOSA-N 1 2 347.484 3.006 20 30 EGEDLO C[C@@H]1CN(c2ccc(NCc3ccc(C#N)s3)c[nH+]2)C[C@H](C)O1 ZINC000269404770 267062407 /nfs/dbraw/zinc/06/24/07/267062407.db2.gz HKPHUHUSFGXUSS-BETUJISGSA-N 1 2 328.441 3.240 20 30 EGEDLO CCOc1cccc(C[N@H+](CCO)Cc2ccc(F)cc2C#N)c1 ZINC000452043843 267173373 /nfs/dbraw/zinc/17/33/73/267173373.db2.gz FVJQUVPFEDHDPX-UHFFFAOYSA-N 1 2 328.387 3.091 20 30 EGEDLO CCOc1cccc(C[N@@H+](CCO)Cc2ccc(F)cc2C#N)c1 ZINC000452043843 267173374 /nfs/dbraw/zinc/17/33/74/267173374.db2.gz FVJQUVPFEDHDPX-UHFFFAOYSA-N 1 2 328.387 3.091 20 30 EGEDLO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000517958569 267190921 /nfs/dbraw/zinc/19/09/21/267190921.db2.gz OSAAORNEXPBREL-GOSISDBHSA-N 1 2 342.487 3.210 20 30 EGEDLO C[C@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CCC1(F)F ZINC000290005357 267230069 /nfs/dbraw/zinc/23/00/69/267230069.db2.gz ZJSFUGDNLNXCIQ-JTQLQIEISA-N 1 2 327.762 3.127 20 30 EGEDLO C[C@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CCC1(F)F ZINC000290005357 267230072 /nfs/dbraw/zinc/23/00/72/267230072.db2.gz ZJSFUGDNLNXCIQ-JTQLQIEISA-N 1 2 327.762 3.127 20 30 EGEDLO CC1(C)CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000274631085 267265614 /nfs/dbraw/zinc/26/56/14/267265614.db2.gz WBWBPBNQEDQIIC-GOSISDBHSA-N 1 2 325.456 3.029 20 30 EGEDLO N#Cc1cc([N+](=O)[O-])ccc1NCCc1[nH]c2ccc(F)cc2[nH+]1 ZINC000301567011 268022118 /nfs/dbraw/zinc/02/21/18/268022118.db2.gz VSZMDWAZEMYVMC-UHFFFAOYSA-N 1 2 325.303 3.136 20 30 EGEDLO Cc1[nH+]c(C(C)C)ccc1CN(c1cccc(C#N)c1)S(C)(=O)=O ZINC000418834770 268073084 /nfs/dbraw/zinc/07/30/84/268073084.db2.gz RWURUUYUQWRGSG-UHFFFAOYSA-N 1 2 343.452 3.351 20 30 EGEDLO Cc1[nH+]c(C(C)C)ccc1CN(c1ccc(C#N)cc1)S(C)(=O)=O ZINC000418847061 268073560 /nfs/dbraw/zinc/07/35/60/268073560.db2.gz UJMAJVVNPJPAIZ-UHFFFAOYSA-N 1 2 343.452 3.351 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2cc(C)ccc2F)c(C#N)c1C ZINC000444743173 268104438 /nfs/dbraw/zinc/10/44/38/268104438.db2.gz IBUWFSCGBGPWGM-UHFFFAOYSA-N 1 2 329.375 3.286 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+](C)Cc2cc(C)ccc2F)c(C#N)c1C ZINC000444743173 268104440 /nfs/dbraw/zinc/10/44/40/268104440.db2.gz IBUWFSCGBGPWGM-UHFFFAOYSA-N 1 2 329.375 3.286 20 30 EGEDLO N#Cc1ccc(N2CCC([NH2+]CC(F)(F)Br)CC2)cc1 ZINC000291053010 268107004 /nfs/dbraw/zinc/10/70/04/268107004.db2.gz CEFKQKWYKXVRGL-UHFFFAOYSA-N 1 2 344.203 3.104 20 30 EGEDLO N#Cc1ccc(NC(=O)C2CC[NH+](CC(F)F)CC2)c(Cl)c1 ZINC000297983947 268136748 /nfs/dbraw/zinc/13/67/48/268136748.db2.gz YCBOLOASVXCPEP-UHFFFAOYSA-N 1 2 327.762 3.127 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc(O)c3)CC2)c(Cl)c1 ZINC000439438159 268221236 /nfs/dbraw/zinc/22/12/36/268221236.db2.gz JTUSMTSRJLXGAN-UHFFFAOYSA-N 1 2 327.815 3.239 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](CC#Cc3ccc(F)cc3)CC2)c(F)c1 ZINC000446842108 268234619 /nfs/dbraw/zinc/23/46/19/268234619.db2.gz DABSSQRMCWFLOA-UHFFFAOYSA-N 1 2 337.373 3.010 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCc3ccc(F)cc3C2)cc1Cl ZINC000441041059 268242307 /nfs/dbraw/zinc/24/23/07/268242307.db2.gz BKBDLKRHJFHZMC-UHFFFAOYSA-N 1 2 343.789 3.348 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCc3ccc(F)cc3C2)cc1Cl ZINC000441041059 268242308 /nfs/dbraw/zinc/24/23/08/268242308.db2.gz BKBDLKRHJFHZMC-UHFFFAOYSA-N 1 2 343.789 3.348 20 30 EGEDLO N#Cc1cccc(C#N)c1N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000436347762 268270533 /nfs/dbraw/zinc/27/05/33/268270533.db2.gz XWNJOUJPOFHGFZ-UHFFFAOYSA-N 1 2 325.375 3.178 20 30 EGEDLO N#Cc1cccc([N+](=O)[O-])c1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000425243105 268291917 /nfs/dbraw/zinc/29/19/17/268291917.db2.gz DUKACDWQKQSKAZ-UHFFFAOYSA-N 1 2 339.399 3.360 20 30 EGEDLO N#Cc1cn(Cc2ccc(-n3cc[nH+]c3)cc2)c2ccccc2c1=O ZINC000193491371 275225572 /nfs/dbraw/zinc/22/55/72/275225572.db2.gz CDDMCVCKVQBNSH-UHFFFAOYSA-N 1 2 326.359 3.107 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)C1CC1 ZINC000353356651 303002998 /nfs/dbraw/zinc/00/29/98/303002998.db2.gz SWLVGYHPDUEMRM-OAHLLOKOSA-N 1 2 340.431 3.121 20 30 EGEDLO N#Cc1cccc(OCC[N@@H+]2CCO[C@H](c3ccccc3F)C2)c1 ZINC000066845737 307363496 /nfs/dbraw/zinc/36/34/96/307363496.db2.gz QIJHLMNCYYUNEL-IBGZPJMESA-N 1 2 326.371 3.150 20 30 EGEDLO N#Cc1cccc(OCC[N@H+]2CCO[C@H](c3ccccc3F)C2)c1 ZINC000066845737 307363497 /nfs/dbraw/zinc/36/34/97/307363497.db2.gz QIJHLMNCYYUNEL-IBGZPJMESA-N 1 2 326.371 3.150 20 30 EGEDLO Cc1ccc2ncc(C#N)c(NCCc3[nH]c4ccccc4[nH+]3)c2c1 ZINC000549463335 315093115 /nfs/dbraw/zinc/09/31/15/315093115.db2.gz SYRSEPPAVPJQBJ-UHFFFAOYSA-N 1 2 327.391 3.368 20 30 EGEDLO Cc1ccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(C#N)cn3)n2)cc1F ZINC000554519627 315327131 /nfs/dbraw/zinc/32/71/31/315327131.db2.gz QTUHBXRZIQEXLE-GFCCVEGCSA-N 1 2 337.358 3.302 20 30 EGEDLO COc1ccnc2c(NCc3c[nH+]c4ccc(C#N)cn34)cccc12 ZINC000556599229 315444836 /nfs/dbraw/zinc/44/48/36/315444836.db2.gz IFAFNNZKXHCMPI-UHFFFAOYSA-N 1 2 329.363 3.375 20 30 EGEDLO N#Cc1c2c(cnc1N1CCC[C@H]1c1[nH]c3c([nH+]1)CCCC3)CCC2 ZINC000568993719 316851167 /nfs/dbraw/zinc/85/11/67/316851167.db2.gz UQOKYNDEIJCCFK-SFHVURJKSA-N 1 2 333.439 3.385 20 30 EGEDLO Cc1nc(N(C)CCOCc2ccc(C#N)cc2)c2c([nH+]1)CCCC2 ZINC000572036018 317282244 /nfs/dbraw/zinc/28/22/44/317282244.db2.gz MGABLOIACGGSSA-UHFFFAOYSA-N 1 2 336.439 3.189 20 30 EGEDLO N#Cc1cccc(C[NH+]2CCN(Cc3nc4ccccc4s3)CC2)c1 ZINC000022780548 323213343 /nfs/dbraw/zinc/21/33/43/323213343.db2.gz HRYBQPHSVUBHBU-UHFFFAOYSA-N 1 2 348.475 3.486 20 30 EGEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000172396130 323279298 /nfs/dbraw/zinc/27/92/98/323279298.db2.gz JLACIWAYMSAWQY-KRWDZBQOSA-N 1 2 333.435 3.006 20 30 EGEDLO CC(C)[N@H+](CC#Cc1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000157893000 455245593 /nfs/dbraw/zinc/24/55/93/455245593.db2.gz VINQMMULTDVKPX-UHFFFAOYSA-N 1 2 349.409 3.324 20 30 EGEDLO CC(C)[N@@H+](CC#Cc1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000157893000 455245595 /nfs/dbraw/zinc/24/55/95/455245595.db2.gz VINQMMULTDVKPX-UHFFFAOYSA-N 1 2 349.409 3.324 20 30 EGEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cccc(Cl)c1Cl ZINC000007017676 453018901 /nfs/dbraw/zinc/01/89/01/453018901.db2.gz NERSIZLYIGFGSO-INIZCTEOSA-N 1 2 340.254 3.234 20 30 EGEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cccc(Cl)c1Cl ZINC000007017676 453018907 /nfs/dbraw/zinc/01/89/07/453018907.db2.gz NERSIZLYIGFGSO-INIZCTEOSA-N 1 2 340.254 3.234 20 30 EGEDLO O=C1N/C(=N\C2CCCC2)S/C1=C\c1c[nH+]c2ccc(Cl)cn12 ZINC000265532345 455339466 /nfs/dbraw/zinc/33/94/66/455339466.db2.gz BEHZPVZCCAQHSS-QPEQYQDCSA-N 1 2 346.843 3.490 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cc(-c4ccco4)on3)CC2)cc1 ZINC000022800114 453698989 /nfs/dbraw/zinc/69/89/89/453698989.db2.gz UKPNMTHNKBMFRS-UHFFFAOYSA-N 1 2 348.406 3.124 20 30 EGEDLO C[N@@H+](Cc1c(F)cccc1Cl)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000023408940 453709672 /nfs/dbraw/zinc/70/96/72/453709672.db2.gz PSXLEDHOAMXIBA-CQSZACIVSA-N 1 2 348.805 3.222 20 30 EGEDLO C[N@H+](Cc1c(F)cccc1Cl)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000023408940 453709675 /nfs/dbraw/zinc/70/96/75/453709675.db2.gz PSXLEDHOAMXIBA-CQSZACIVSA-N 1 2 348.805 3.222 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000023992386 453721009 /nfs/dbraw/zinc/72/10/09/453721009.db2.gz HJHOAPVGWAXOMD-DGCLKSJQSA-N 1 2 325.334 3.160 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000023992386 453721011 /nfs/dbraw/zinc/72/10/11/453721011.db2.gz HJHOAPVGWAXOMD-DGCLKSJQSA-N 1 2 325.334 3.160 20 30 EGEDLO COc1ccc(F)cc1CN1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000025751665 453785241 /nfs/dbraw/zinc/78/52/41/453785241.db2.gz YJALIBWFHVWWEI-UHFFFAOYSA-N 1 2 339.414 3.024 20 30 EGEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000029655261 453830610 /nfs/dbraw/zinc/83/06/10/453830610.db2.gz MWANKKYIHXKMQN-KRWDZBQOSA-N 1 2 348.450 3.147 20 30 EGEDLO CC[NH+](CC)[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccco1 ZINC000067005700 453893423 /nfs/dbraw/zinc/89/34/23/453893423.db2.gz YVEKKSNEPSCLAC-CLXYIWAZSA-N 1 2 331.372 3.395 20 30 EGEDLO COC(=O)[C@@H]([NH2+]C[C@H]1CCCc2ccccc21)c1cccc(C#N)c1 ZINC000083029925 453934487 /nfs/dbraw/zinc/93/44/87/453934487.db2.gz QHFCFIYGOZIUEU-QUCCMNQESA-N 1 2 334.419 3.482 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)N1CCCCCC1 ZINC000076153990 453972118 /nfs/dbraw/zinc/97/21/18/453972118.db2.gz QCHZNSDAVIXBBD-RBUKOAKNSA-N 1 2 325.456 3.161 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)N1CCCCCC1 ZINC000076153990 453972121 /nfs/dbraw/zinc/97/21/21/453972121.db2.gz QCHZNSDAVIXBBD-RBUKOAKNSA-N 1 2 325.456 3.161 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000042251138 454003271 /nfs/dbraw/zinc/00/32/71/454003271.db2.gz GBSHVMWLBYAZGE-INIZCTEOSA-N 1 2 347.890 3.051 20 30 EGEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)NCCCn1cc[nH+]c1 ZINC000042898401 454031282 /nfs/dbraw/zinc/03/12/82/454031282.db2.gz UXYLIJLRRMQLQJ-UHFFFAOYSA-N 1 2 338.864 3.386 20 30 EGEDLO C=CC[N@@H+](CC(=O)N[C@@H]1CCCC[C@@H]1C)Cc1cccc(C#N)c1 ZINC000068827191 454057784 /nfs/dbraw/zinc/05/77/84/454057784.db2.gz HPKDZFSJVINNJL-QFBILLFUSA-N 1 2 325.456 3.241 20 30 EGEDLO C=CC[N@H+](CC(=O)N[C@@H]1CCCC[C@@H]1C)Cc1cccc(C#N)c1 ZINC000068827191 454057787 /nfs/dbraw/zinc/05/77/87/454057787.db2.gz HPKDZFSJVINNJL-QFBILLFUSA-N 1 2 325.456 3.241 20 30 EGEDLO C=C(Br)C[N@@H+](CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000077483772 454111358 /nfs/dbraw/zinc/11/13/58/454111358.db2.gz BPLPATSRQTYUNV-UHFFFAOYSA-N 1 2 325.250 3.119 20 30 EGEDLO C=C(Br)C[N@H+](CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000077483772 454111360 /nfs/dbraw/zinc/11/13/60/454111360.db2.gz BPLPATSRQTYUNV-UHFFFAOYSA-N 1 2 325.250 3.119 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(C#N)CC2)c1 ZINC000057876530 454153822 /nfs/dbraw/zinc/15/38/22/454153822.db2.gz VIHVYDUKWZDJKX-KRWDZBQOSA-N 1 2 338.455 3.174 20 30 EGEDLO CCOC(=O)c1c(C)c2ccccc2nc1C[NH+]1CCC(C#N)CC1 ZINC000057875885 454153897 /nfs/dbraw/zinc/15/38/97/454153897.db2.gz NRJBXJCTEHGCKW-UHFFFAOYSA-N 1 2 337.423 3.456 20 30 EGEDLO C[C@@H](NC(=O)C[NH+]1CCC(C#N)CC1)c1ccc(Cl)cc1Cl ZINC000057907823 454156655 /nfs/dbraw/zinc/15/66/55/454156655.db2.gz SIOIFYRNNDOJRT-LLVKDONJSA-N 1 2 340.254 3.406 20 30 EGEDLO C=C(C)C[NH+]1CCN(S(=O)(=O)c2ccc([C@@H](C)CC)cc2)CC1 ZINC000058044354 454161381 /nfs/dbraw/zinc/16/13/81/454161381.db2.gz PNOIXXWZGBHFQB-INIZCTEOSA-N 1 2 336.501 3.083 20 30 EGEDLO C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(C#N)cc1 ZINC000045710068 454175766 /nfs/dbraw/zinc/17/57/66/454175766.db2.gz JLWDWFMPOXOVPG-OAHLLOKOSA-N 1 2 330.391 3.294 20 30 EGEDLO C#CCCCCNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000160075995 455426380 /nfs/dbraw/zinc/42/63/80/455426380.db2.gz YNUXIZRMCXNDCT-UHFFFAOYSA-N 1 2 328.460 3.065 20 30 EGEDLO C#CCCCCC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000119627272 454208362 /nfs/dbraw/zinc/20/83/62/454208362.db2.gz RELIIBHNTIGOHT-UHFFFAOYSA-N 1 2 347.462 3.454 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(Cl)cn2C)c(C#N)c1C ZINC000120026540 454249831 /nfs/dbraw/zinc/24/98/31/454249831.db2.gz XALZRMWAGVCZQP-LLVKDONJSA-N 1 2 348.834 3.219 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(Cl)cn2C)c(C#N)c1C ZINC000120026540 454249835 /nfs/dbraw/zinc/24/98/35/454249835.db2.gz XALZRMWAGVCZQP-LLVKDONJSA-N 1 2 348.834 3.219 20 30 EGEDLO C=CCc1cc(C(=O)Nc2c[nH+]ccc2OC)cc(OC)c1OC ZINC000131432467 454253438 /nfs/dbraw/zinc/25/34/38/454253438.db2.gz DSBIARAXJURAON-UHFFFAOYSA-N 1 2 328.368 3.088 20 30 EGEDLO CC[N@@H+](Cc1c(F)cccc1F)C[C@H](O)COc1ccc(C#N)cc1 ZINC000059409882 454259446 /nfs/dbraw/zinc/25/94/46/454259446.db2.gz CNDVCHFAEZBMES-HNNXBMFYSA-N 1 2 346.377 3.098 20 30 EGEDLO CC[N@H+](Cc1c(F)cccc1F)C[C@H](O)COc1ccc(C#N)cc1 ZINC000059409882 454259450 /nfs/dbraw/zinc/25/94/50/454259450.db2.gz CNDVCHFAEZBMES-HNNXBMFYSA-N 1 2 346.377 3.098 20 30 EGEDLO COc1ccc(-c2nnc(C[N@H+](C)Cc3ccc(C#N)cc3)o2)cc1 ZINC000046528700 454261525 /nfs/dbraw/zinc/26/15/25/454261525.db2.gz WRUYSPXEKNHAQF-UHFFFAOYSA-N 1 2 334.379 3.249 20 30 EGEDLO COc1ccc(-c2nnc(C[N@@H+](C)Cc3ccc(C#N)cc3)o2)cc1 ZINC000046528700 454261529 /nfs/dbraw/zinc/26/15/29/454261529.db2.gz WRUYSPXEKNHAQF-UHFFFAOYSA-N 1 2 334.379 3.249 20 30 EGEDLO COc1ccccc1[C@@H](C)NC(=O)C[N@H+](CCC#N)CCC(C)C ZINC000072692002 454327748 /nfs/dbraw/zinc/32/77/48/454327748.db2.gz GZDIWVDMRXPSLP-MRXNPFEDSA-N 1 2 331.460 3.134 20 30 EGEDLO COc1ccccc1[C@@H](C)NC(=O)C[N@@H+](CCC#N)CCC(C)C ZINC000072692002 454327750 /nfs/dbraw/zinc/32/77/50/454327750.db2.gz GZDIWVDMRXPSLP-MRXNPFEDSA-N 1 2 331.460 3.134 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000133914257 454482255 /nfs/dbraw/zinc/48/22/55/454482255.db2.gz JGGNSYJGRNZMJZ-SCLBCKFNSA-N 1 2 333.863 3.141 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000133914257 454482260 /nfs/dbraw/zinc/48/22/60/454482260.db2.gz JGGNSYJGRNZMJZ-SCLBCKFNSA-N 1 2 333.863 3.141 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000133913819 454482611 /nfs/dbraw/zinc/48/26/11/454482611.db2.gz JGGNSYJGRNZMJZ-FZKQIMNGSA-N 1 2 333.863 3.141 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000133913819 454482618 /nfs/dbraw/zinc/48/26/18/454482618.db2.gz JGGNSYJGRNZMJZ-FZKQIMNGSA-N 1 2 333.863 3.141 20 30 EGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000091918344 454489179 /nfs/dbraw/zinc/48/91/79/454489179.db2.gz MWWVVPGWSGUZQS-UHFFFAOYSA-N 1 2 342.443 3.353 20 30 EGEDLO N#Cc1ccccc1Oc1ccc(NC(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000091987572 454501402 /nfs/dbraw/zinc/50/14/02/454501402.db2.gz GWZZMJSDLNZUTO-UHFFFAOYSA-N 1 2 333.351 3.395 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000134647517 454574098 /nfs/dbraw/zinc/57/40/98/454574098.db2.gz JSBVYRWAFXEJCS-VXGBXAGGSA-N 1 2 333.270 3.273 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000134647517 454574103 /nfs/dbraw/zinc/57/41/03/454574103.db2.gz JSBVYRWAFXEJCS-VXGBXAGGSA-N 1 2 333.270 3.273 20 30 EGEDLO C[C@H](CC1CCCC1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000074687211 454619617 /nfs/dbraw/zinc/61/96/17/454619617.db2.gz ZTCPAAZOKGAFKX-QGZVFWFLSA-N 1 2 339.483 3.419 20 30 EGEDLO COc1ccccc1C(=O)N1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000612506992 460644439 /nfs/dbraw/zinc/64/44/39/460644439.db2.gz JFXVKKNJPMDCTG-MRXNPFEDSA-N 1 2 349.434 3.086 20 30 EGEDLO COc1ccccc1C(=O)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000612506991 460644459 /nfs/dbraw/zinc/64/44/59/460644459.db2.gz JFXVKKNJPMDCTG-INIZCTEOSA-N 1 2 349.434 3.086 20 30 EGEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000135243622 454652479 /nfs/dbraw/zinc/65/24/79/454652479.db2.gz RQOKNJRXHHXFSY-IBGZPJMESA-N 1 2 333.435 3.161 20 30 EGEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000135243622 454652482 /nfs/dbraw/zinc/65/24/82/454652482.db2.gz RQOKNJRXHHXFSY-IBGZPJMESA-N 1 2 333.435 3.161 20 30 EGEDLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081043395 454676165 /nfs/dbraw/zinc/67/61/65/454676165.db2.gz FRIBRYWXDBDYSL-MRXNPFEDSA-N 1 2 331.485 3.210 20 30 EGEDLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081043395 454676168 /nfs/dbraw/zinc/67/61/68/454676168.db2.gz FRIBRYWXDBDYSL-MRXNPFEDSA-N 1 2 331.485 3.210 20 30 EGEDLO Cc1nc(COc2ccc(C[N@H+](CC#N)C3CCCC3)cc2)no1 ZINC000093563388 454721437 /nfs/dbraw/zinc/72/14/37/454721437.db2.gz NNBVOIFMHAFDOX-UHFFFAOYSA-N 1 2 326.400 3.225 20 30 EGEDLO Cc1nc(COc2ccc(C[N@@H+](CC#N)C3CCCC3)cc2)no1 ZINC000093563388 454721439 /nfs/dbraw/zinc/72/14/39/454721439.db2.gz NNBVOIFMHAFDOX-UHFFFAOYSA-N 1 2 326.400 3.225 20 30 EGEDLO COc1ccc(C#N)cc1C[N@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000152892175 454737059 /nfs/dbraw/zinc/73/70/59/454737059.db2.gz GDHWBGCJKMDTAZ-UHFFFAOYSA-N 1 2 337.423 3.254 20 30 EGEDLO COc1ccc(C#N)cc1C[N@@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000152892175 454737062 /nfs/dbraw/zinc/73/70/62/454737062.db2.gz GDHWBGCJKMDTAZ-UHFFFAOYSA-N 1 2 337.423 3.254 20 30 EGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)/C=C/c1[nH+]ccn1CC ZINC000136554135 454746890 /nfs/dbraw/zinc/74/68/90/454746890.db2.gz KYDWXZMRRLHPCS-ZHACJKMWSA-N 1 2 325.412 3.140 20 30 EGEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162727757 454796083 /nfs/dbraw/zinc/79/60/83/454796083.db2.gz GRSOUBZRJBHPLP-ZDUSSCGKSA-N 1 2 332.363 3.354 20 30 EGEDLO C#CCOc1cccc(NC(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000108519880 454801314 /nfs/dbraw/zinc/80/13/14/454801314.db2.gz HYMDOSUBSVFGRF-UHFFFAOYSA-N 1 2 338.411 3.107 20 30 EGEDLO FC(F)(F)c1ccc(C#CC[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000176979662 454806897 /nfs/dbraw/zinc/80/68/97/454806897.db2.gz CAJDIWZHHOGFNQ-UHFFFAOYSA-N 1 2 345.368 3.274 20 30 EGEDLO C[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)[N@H+](C)Cc1ccccc1 ZINC000110129344 454841606 /nfs/dbraw/zinc/84/16/06/454841606.db2.gz CGMLVTFSKCSOSW-BXUJETTOSA-N 1 2 327.384 3.240 20 30 EGEDLO C[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)[N@@H+](C)Cc1ccccc1 ZINC000110129344 454841609 /nfs/dbraw/zinc/84/16/09/454841609.db2.gz CGMLVTFSKCSOSW-BXUJETTOSA-N 1 2 327.384 3.240 20 30 EGEDLO C=CCCOCC(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000146638040 454859913 /nfs/dbraw/zinc/85/99/13/454859913.db2.gz JKWUEJFCFDCNHN-OAHLLOKOSA-N 1 2 336.863 3.138 20 30 EGEDLO C=CCNC(=O)C[N@@H+]1Cc2cc(OC)ccc2C[C@H]1c1ccccc1 ZINC000177461499 454866809 /nfs/dbraw/zinc/86/68/09/454866809.db2.gz YSQNNCOUJDMVGI-FQEVSTJZSA-N 1 2 336.435 3.097 20 30 EGEDLO C=CCNC(=O)C[N@H+]1Cc2cc(OC)ccc2C[C@H]1c1ccccc1 ZINC000177461499 454866815 /nfs/dbraw/zinc/86/68/15/454866815.db2.gz YSQNNCOUJDMVGI-FQEVSTJZSA-N 1 2 336.435 3.097 20 30 EGEDLO C=CCN(C)C(=O)c1ccc(OCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000154204022 454874240 /nfs/dbraw/zinc/87/42/40/454874240.db2.gz XFZAWMVGMZEFRC-UHFFFAOYSA-N 1 2 335.407 3.480 20 30 EGEDLO C=CCOc1ccc(-c2nnc(SCc3[nH+]ccn3C)o2)cc1 ZINC000126231479 454879188 /nfs/dbraw/zinc/87/91/88/454879188.db2.gz OYERUGDEURCXNQ-UHFFFAOYSA-N 1 2 328.397 3.327 20 30 EGEDLO NC(=[NH+]OCCCCC(F)(F)F)c1ccc(N2CCCCC2)nc1 ZINC000154274948 454880286 /nfs/dbraw/zinc/88/02/86/454880286.db2.gz ZXKZQZFBLFZLGY-UHFFFAOYSA-N 1 2 344.381 3.441 20 30 EGEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000266957989 455483503 /nfs/dbraw/zinc/48/35/03/455483503.db2.gz KSHHMLIHVKNVBU-JKSUJKDBSA-N 1 2 339.439 3.237 20 30 EGEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000266957989 455483505 /nfs/dbraw/zinc/48/35/05/455483505.db2.gz KSHHMLIHVKNVBU-JKSUJKDBSA-N 1 2 339.439 3.237 20 30 EGEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCc2cc(-c3ccccc3)oc2C1)C1CC1 ZINC000177716976 454896080 /nfs/dbraw/zinc/89/60/80/454896080.db2.gz XHXGFDFFFGRPGX-OAQYLSRUSA-N 1 2 349.434 3.113 20 30 EGEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCc2cc(-c3ccccc3)oc2C1)C1CC1 ZINC000177716976 454896084 /nfs/dbraw/zinc/89/60/84/454896084.db2.gz XHXGFDFFFGRPGX-OAQYLSRUSA-N 1 2 349.434 3.113 20 30 EGEDLO Cc1cnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)s1 ZINC000184995158 455484281 /nfs/dbraw/zinc/48/42/81/455484281.db2.gz QIAHBQDTVYCVPX-GHMZBOCLSA-N 1 2 332.429 3.211 20 30 EGEDLO C=CCN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000154660679 454916383 /nfs/dbraw/zinc/91/63/83/454916383.db2.gz HMASLFDBQIKJLU-HNNXBMFYSA-N 1 2 339.842 3.271 20 30 EGEDLO C=CCN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000154660679 454916386 /nfs/dbraw/zinc/91/63/86/454916386.db2.gz HMASLFDBQIKJLU-HNNXBMFYSA-N 1 2 339.842 3.271 20 30 EGEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000155288355 454983187 /nfs/dbraw/zinc/98/31/87/454983187.db2.gz DSFIKHSPLOIGKJ-GOSISDBHSA-N 1 2 338.480 3.403 20 30 EGEDLO N#CC1CCN(c2nc(N3CCC(C#N)CC3)c3ccccc3[nH+]2)CC1 ZINC000170843971 454986372 /nfs/dbraw/zinc/98/63/72/454986372.db2.gz OBLFCXIIZNZGQJ-UHFFFAOYSA-N 1 2 346.438 3.110 20 30 EGEDLO CC[N@H+](C[C@H](C)C#N)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000155315978 454986656 /nfs/dbraw/zinc/98/66/56/454986656.db2.gz QMKCVHQCIZUZLT-IUODEOHRSA-N 1 2 339.361 3.292 20 30 EGEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000155315978 454986657 /nfs/dbraw/zinc/98/66/57/454986657.db2.gz QMKCVHQCIZUZLT-IUODEOHRSA-N 1 2 339.361 3.292 20 30 EGEDLO Cc1cccc([C@H](CNc2nc(C)ccc2C#N)[NH+]2CCOCC2)c1 ZINC000127740207 454992931 /nfs/dbraw/zinc/99/29/31/454992931.db2.gz BRWAUVSGOVZYQO-IBGZPJMESA-N 1 2 336.439 3.056 20 30 EGEDLO COc1cc(C[N@H+](C)Cc2cc(C#N)ccc2F)cc2c1OCO2 ZINC000155402324 454997846 /nfs/dbraw/zinc/99/78/46/454997846.db2.gz XJQQFAWVTZKDEU-UHFFFAOYSA-N 1 2 328.343 3.067 20 30 EGEDLO COc1cc(C[N@@H+](C)Cc2cc(C#N)ccc2F)cc2c1OCO2 ZINC000155402324 454997848 /nfs/dbraw/zinc/99/78/48/454997848.db2.gz XJQQFAWVTZKDEU-UHFFFAOYSA-N 1 2 328.343 3.067 20 30 EGEDLO C#CCOc1ccc(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)cc1 ZINC000151613083 455007824 /nfs/dbraw/zinc/00/78/24/455007824.db2.gz DBQWLCDXJDWDKI-UHFFFAOYSA-N 1 2 331.375 3.351 20 30 EGEDLO N#CC1(NC(=O)C[N@@H+]2CCSC[C@@H]2c2ccccc2)CCCCC1 ZINC000115561323 455021236 /nfs/dbraw/zinc/02/12/36/455021236.db2.gz KPQBODZIPREZCZ-QGZVFWFLSA-N 1 2 343.496 3.119 20 30 EGEDLO N#CC1(NC(=O)C[N@H+]2CCSC[C@@H]2c2ccccc2)CCCCC1 ZINC000115561323 455021239 /nfs/dbraw/zinc/02/12/39/455021239.db2.gz KPQBODZIPREZCZ-QGZVFWFLSA-N 1 2 343.496 3.119 20 30 EGEDLO C=CC[C@H](C)NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000117001640 455077065 /nfs/dbraw/zinc/07/70/65/455077065.db2.gz OMLQHXVMUHEQNO-JYJNAYRXSA-N 1 2 331.460 3.382 20 30 EGEDLO COc1ccc(C#N)cc1C[NH2+][C@H](c1nc(C2CC2)no1)C(C)C ZINC000179830379 455085359 /nfs/dbraw/zinc/08/53/59/455085359.db2.gz GKXKNYBXINUQOS-INIZCTEOSA-N 1 2 326.400 3.314 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C#N)c1ccccc1Cl ZINC000172029687 455110726 /nfs/dbraw/zinc/11/07/26/455110726.db2.gz AFOHYHSPKJQCPB-INIZCTEOSA-N 1 2 338.798 3.379 20 30 EGEDLO Cn1cc(C[N@@H+]2CCO[C@H](c3ccco3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180243330 455151109 /nfs/dbraw/zinc/15/11/09/455151109.db2.gz AAVACICYFVUCFF-IBGZPJMESA-N 1 2 348.406 3.125 20 30 EGEDLO Cn1cc(C[N@H+]2CCO[C@H](c3ccco3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180243330 455151112 /nfs/dbraw/zinc/15/11/12/455151112.db2.gz AAVACICYFVUCFF-IBGZPJMESA-N 1 2 348.406 3.125 20 30 EGEDLO C[C@@H]1CSCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000172436054 455154204 /nfs/dbraw/zinc/15/42/04/455154204.db2.gz PDYUQPMMCVDIPP-CYBMUJFWSA-N 1 2 337.876 3.024 20 30 EGEDLO C[C@@H]1CSCC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000172436054 455154207 /nfs/dbraw/zinc/15/42/07/455154207.db2.gz PDYUQPMMCVDIPP-CYBMUJFWSA-N 1 2 337.876 3.024 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182802375 455167476 /nfs/dbraw/zinc/16/74/76/455167476.db2.gz FAPNAOAVRQBIPL-SNVBAGLBSA-N 1 2 338.171 3.447 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182802375 455167478 /nfs/dbraw/zinc/16/74/78/455167478.db2.gz FAPNAOAVRQBIPL-SNVBAGLBSA-N 1 2 338.171 3.447 20 30 EGEDLO Cc1csc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)n1 ZINC000172758767 455183636 /nfs/dbraw/zinc/18/36/36/455183636.db2.gz SLZPRVYOPLOYDE-UHFFFAOYSA-N 1 2 349.463 3.194 20 30 EGEDLO C=C(C)C[N@@H+](C)CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000181279432 455311063 /nfs/dbraw/zinc/31/10/63/455311063.db2.gz QIWSFYZCBNUIAQ-UHFFFAOYSA-N 1 2 326.322 3.028 20 30 EGEDLO C=C(C)C[N@H+](C)CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000181279432 455311067 /nfs/dbraw/zinc/31/10/67/455311067.db2.gz QIWSFYZCBNUIAQ-UHFFFAOYSA-N 1 2 326.322 3.028 20 30 EGEDLO COc1ccc(C#N)cc1C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000158597188 455314715 /nfs/dbraw/zinc/31/47/15/455314715.db2.gz CKBLMOVIDIHLCF-NRFANRHFSA-N 1 2 334.419 3.241 20 30 EGEDLO COc1ccc(C#N)cc1C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000158597188 455314721 /nfs/dbraw/zinc/31/47/21/455314721.db2.gz CKBLMOVIDIHLCF-NRFANRHFSA-N 1 2 334.419 3.241 20 30 EGEDLO C=CCCCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000245736611 455369615 /nfs/dbraw/zinc/36/96/15/455369615.db2.gz KNSMPYBFMRTRFT-WMZOPIPTSA-N 1 2 336.863 3.184 20 30 EGEDLO C=CCCCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000245736611 455369617 /nfs/dbraw/zinc/36/96/17/455369617.db2.gz KNSMPYBFMRTRFT-WMZOPIPTSA-N 1 2 336.863 3.184 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](COC)c1ccco1 ZINC000184572026 455406110 /nfs/dbraw/zinc/40/61/10/455406110.db2.gz XXPVFCIRSXXWTA-HNNXBMFYSA-N 1 2 346.452 3.474 20 30 EGEDLO C[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1nnnn1-c1ccccc1 ZINC000184815264 455453024 /nfs/dbraw/zinc/45/30/24/455453024.db2.gz JEIWEDOOYZNDFO-CQSZACIVSA-N 1 2 337.814 3.018 20 30 EGEDLO C[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1nnnn1-c1ccccc1 ZINC000184819673 455453112 /nfs/dbraw/zinc/45/31/12/455453112.db2.gz SPKNQPNOOVNNKB-CQSZACIVSA-N 1 2 337.814 3.018 20 30 EGEDLO C[C@H](CC#N)[N@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000246952350 455538411 /nfs/dbraw/zinc/53/84/11/455538411.db2.gz CEGCOHTXRVRWKJ-VXGBXAGGSA-N 1 2 343.500 3.175 20 30 EGEDLO C[C@H](CC#N)[N@@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000246952350 455538419 /nfs/dbraw/zinc/53/84/19/455538419.db2.gz CEGCOHTXRVRWKJ-VXGBXAGGSA-N 1 2 343.500 3.175 20 30 EGEDLO COc1cc(C#N)ccc1C[NH+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C ZINC000292400527 455651688 /nfs/dbraw/zinc/65/16/88/455651688.db2.gz TVJGOCUSASZHTJ-HUUCEWRRSA-N 1 2 343.471 3.034 20 30 EGEDLO Cc1ccc2[nH+]c(COc3cccc(C(=O)N(C)CCC#N)c3)cn2c1 ZINC000247942955 455657602 /nfs/dbraw/zinc/65/76/02/455657602.db2.gz AKVHUFBOBPWQJX-UHFFFAOYSA-N 1 2 348.406 3.207 20 30 EGEDLO CC(C)(C#N)c1ccc(NC(=O)NCCc2cn3ccccc3[nH+]2)cc1 ZINC000193046488 455738036 /nfs/dbraw/zinc/73/80/36/455738036.db2.gz HDOQQCTWDUDZFN-UHFFFAOYSA-N 1 2 347.422 3.500 20 30 EGEDLO N#CCC[N@@H+](CCC(=O)N1CCCc2ccccc21)Cc1ccco1 ZINC000284921854 455762700 /nfs/dbraw/zinc/76/27/00/455762700.db2.gz HTLHCBOOJBMFBN-UHFFFAOYSA-N 1 2 337.423 3.365 20 30 EGEDLO N#CCC[N@H+](CCC(=O)N1CCCc2ccccc21)Cc1ccco1 ZINC000284921854 455762703 /nfs/dbraw/zinc/76/27/03/455762703.db2.gz HTLHCBOOJBMFBN-UHFFFAOYSA-N 1 2 337.423 3.365 20 30 EGEDLO C=CCCO[C@H](C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000294160840 455806923 /nfs/dbraw/zinc/80/69/23/455806923.db2.gz BUARNWFQTNDVNA-CYBMUJFWSA-N 1 2 333.819 3.123 20 30 EGEDLO CC[C@@H]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000294283240 455810081 /nfs/dbraw/zinc/81/00/81/455810081.db2.gz HLEURBVJYIHKFR-RTBURBONSA-N 1 2 325.456 3.029 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000285322825 455823615 /nfs/dbraw/zinc/82/36/15/455823615.db2.gz NFTCEXUFBZSHDP-OAHLLOKOSA-N 1 2 327.428 3.100 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC=C(c2ccco2)C1 ZINC000285322825 455823620 /nfs/dbraw/zinc/82/36/20/455823620.db2.gz NFTCEXUFBZSHDP-OAHLLOKOSA-N 1 2 327.428 3.100 20 30 EGEDLO C=CCOc1ccc(CC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000295203390 455842064 /nfs/dbraw/zinc/84/20/64/455842064.db2.gz WIGOXSWSVVXQNV-APWZRJJASA-N 1 2 339.439 3.100 20 30 EGEDLO Cn1c[nH+]cc1CC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000186933610 455853003 /nfs/dbraw/zinc/85/30/03/455853003.db2.gz TWZMAGXUNHERSJ-UHFFFAOYSA-N 1 2 346.390 3.052 20 30 EGEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000279809849 455873829 /nfs/dbraw/zinc/87/38/29/455873829.db2.gz NYOQSDIBNIMGIV-UHFFFAOYSA-N 1 2 333.395 3.022 20 30 EGEDLO Cc1nc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cs1 ZINC000272276145 455898975 /nfs/dbraw/zinc/89/89/75/455898975.db2.gz ZCBQKWKQKANYTC-MLGOLLRUSA-N 1 2 340.452 3.169 20 30 EGEDLO COc1cc(C)[nH+]c(CO/N=C(\C)c2ccc(NC(C)=O)cc2)c1 ZINC000270420487 455951722 /nfs/dbraw/zinc/95/17/22/455951722.db2.gz RFSSNAQDQCSKNL-FYJGNVAPSA-N 1 2 327.384 3.298 20 30 EGEDLO C[NH+](C)[C@H](CNc1ccc(C#N)cc1[N+](=O)[O-])c1c(F)cccc1F ZINC000301291597 456082896 /nfs/dbraw/zinc/08/28/96/456082896.db2.gz NVJZFBPVLPMSGA-MRXNPFEDSA-N 1 2 346.337 3.459 20 30 EGEDLO N#CCc1ccc(C[N@H+]2CCOC[C@H]2CC(=O)c2cccs2)cc1 ZINC000225452846 456084032 /nfs/dbraw/zinc/08/40/32/456084032.db2.gz ICHIIUNRQLUZDR-QGZVFWFLSA-N 1 2 340.448 3.288 20 30 EGEDLO N#CCc1ccc(C[N@@H+]2CCOC[C@H]2CC(=O)c2cccs2)cc1 ZINC000225452846 456084038 /nfs/dbraw/zinc/08/40/38/456084038.db2.gz ICHIIUNRQLUZDR-QGZVFWFLSA-N 1 2 340.448 3.288 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CCCc3occc3C2)c(C#N)c1C ZINC000288836233 456107659 /nfs/dbraw/zinc/10/76/59/456107659.db2.gz OFEOKRNPPODGDN-UHFFFAOYSA-N 1 2 329.425 3.217 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CCCc3occc3C2)c(C#N)c1C ZINC000288836233 456107663 /nfs/dbraw/zinc/10/76/63/456107663.db2.gz OFEOKRNPPODGDN-UHFFFAOYSA-N 1 2 329.425 3.217 20 30 EGEDLO COc1cc(C[N@H+](C)C[C@@H](C)C#N)ccc1OCc1ccncc1 ZINC000271142306 456139584 /nfs/dbraw/zinc/13/95/84/456139584.db2.gz VULBKPLNMTVEKA-HNNXBMFYSA-N 1 2 325.412 3.261 20 30 EGEDLO COc1cc(C[N@@H+](C)C[C@@H](C)C#N)ccc1OCc1ccncc1 ZINC000271142306 456139590 /nfs/dbraw/zinc/13/95/90/456139590.db2.gz VULBKPLNMTVEKA-HNNXBMFYSA-N 1 2 325.412 3.261 20 30 EGEDLO Cc1nc(C[NH+]2CCN(c3cccc(Cl)c3C#N)CC2)oc1C ZINC000297214529 456151347 /nfs/dbraw/zinc/15/13/47/456151347.db2.gz SHTUIJLZDZXXAF-UHFFFAOYSA-N 1 2 330.819 3.139 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2nc(-c3ccccc3)cs2)C1=O ZINC000281197384 456161947 /nfs/dbraw/zinc/16/19/47/456161947.db2.gz IVYZCAVYFSIQDC-INIZCTEOSA-N 1 2 327.453 3.029 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2nc(-c3ccccc3)cs2)C1=O ZINC000281197384 456161954 /nfs/dbraw/zinc/16/19/54/456161954.db2.gz IVYZCAVYFSIQDC-INIZCTEOSA-N 1 2 327.453 3.029 20 30 EGEDLO Cc1cc(O[C@H]2CCN(C)C2=O)ccc1[NH2+]CC(C)(C)CCC#N ZINC000281340347 456207337 /nfs/dbraw/zinc/20/73/37/456207337.db2.gz SRINAPFKYUKVSE-KRWDZBQOSA-N 1 2 329.444 3.346 20 30 EGEDLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(C#N)cc2Br)s1 ZINC000273629924 456242634 /nfs/dbraw/zinc/24/26/34/456242634.db2.gz SAVFCTJYYAEAKP-QMMMGPOBSA-N 1 2 337.246 3.332 20 30 EGEDLO C[C@H]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000290243226 456272873 /nfs/dbraw/zinc/27/28/73/456272873.db2.gz STLAAKLCNGRQGP-BLLLJJGKSA-N 1 2 327.363 3.009 20 30 EGEDLO N#Cc1ccnc(NCC[N@H+]2CCc3c(Cl)cccc3C2)c1Cl ZINC000342947449 456331474 /nfs/dbraw/zinc/33/14/74/456331474.db2.gz RSOGGIMJSRPDMO-UHFFFAOYSA-N 1 2 347.249 3.152 20 30 EGEDLO N#Cc1ccnc(NCC[N@@H+]2CCc3c(Cl)cccc3C2)c1Cl ZINC000342947449 456331479 /nfs/dbraw/zinc/33/14/79/456331479.db2.gz RSOGGIMJSRPDMO-UHFFFAOYSA-N 1 2 347.249 3.152 20 30 EGEDLO N#CCc1ccc(C(=O)NCc2[nH+]ccn2CCc2ccccc2)cc1 ZINC000340304655 456375668 /nfs/dbraw/zinc/37/56/68/456375668.db2.gz HRAYGIFTAQOKTB-UHFFFAOYSA-N 1 2 344.418 3.122 20 30 EGEDLO C#C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C(C)C ZINC000298148164 456375760 /nfs/dbraw/zinc/37/57/60/456375760.db2.gz ZPVGEHJVLJHAKS-GBESFXJTSA-N 1 2 336.439 3.069 20 30 EGEDLO Cc1cc(C/N=C/c2cc([N+](=O)[O-])ccc2O)cc(N2CCCC2)[nH+]1 ZINC000290629630 456388764 /nfs/dbraw/zinc/38/87/64/456388764.db2.gz UYINBXSJFAMFCA-XDHOZWIPSA-N 1 2 340.383 3.223 20 30 EGEDLO CCCCCCCCC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000298203660 456389912 /nfs/dbraw/zinc/38/99/12/456389912.db2.gz ZYHRGMWFGPNCKF-UHFFFAOYSA-N 1 2 333.476 3.285 20 30 EGEDLO N#Cc1ccccc1CSCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000302770598 456394873 /nfs/dbraw/zinc/39/48/73/456394873.db2.gz BXDILJKVRXAHFW-UHFFFAOYSA-N 1 2 339.468 3.294 20 30 EGEDLO N#Cc1ccccc1CSCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000302770598 456394878 /nfs/dbraw/zinc/39/48/78/456394878.db2.gz BXDILJKVRXAHFW-UHFFFAOYSA-N 1 2 339.468 3.294 20 30 EGEDLO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000276136403 456397385 /nfs/dbraw/zinc/39/73/85/456397385.db2.gz DOCUZOMSVQVNEZ-JTQLQIEISA-N 1 2 331.363 3.221 20 30 EGEDLO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000276136403 456397390 /nfs/dbraw/zinc/39/73/90/456397390.db2.gz DOCUZOMSVQVNEZ-JTQLQIEISA-N 1 2 331.363 3.221 20 30 EGEDLO COCCn1c2ccccc2[nH+]c1NCc1ccc(C#N)c(OC)c1 ZINC000282327215 456478150 /nfs/dbraw/zinc/47/81/50/456478150.db2.gz WLPYRDUBMYHQRJ-UHFFFAOYSA-N 1 2 336.395 3.175 20 30 EGEDLO Fc1cccc(C#CCNc2[nH+]cnc3c2cnn3-c2ccccc2)c1 ZINC000337753581 456525323 /nfs/dbraw/zinc/52/53/23/456525323.db2.gz KMCRRGLDJYWFJM-UHFFFAOYSA-N 1 2 343.365 3.418 20 30 EGEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2Br)C[C@@H](C2CC2)O1 ZINC000348231989 456552295 /nfs/dbraw/zinc/55/22/95/456552295.db2.gz IPTTYFMOGMQNJR-ZBEGNZNMSA-N 1 2 335.245 3.320 20 30 EGEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)C[C@@H](C2CC2)O1 ZINC000348231989 456552302 /nfs/dbraw/zinc/55/23/02/456552302.db2.gz IPTTYFMOGMQNJR-ZBEGNZNMSA-N 1 2 335.245 3.320 20 30 EGEDLO C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(C#N)cc1 ZINC000340649050 456600194 /nfs/dbraw/zinc/60/01/94/456600194.db2.gz PCQZTCGIZFFINE-OAHLLOKOSA-N 1 2 330.391 3.294 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000337936632 456610434 /nfs/dbraw/zinc/61/04/34/456610434.db2.gz MKKPYJDIAXQNHE-OAHLLOKOSA-N 1 2 336.439 3.106 20 30 EGEDLO CCc1[nH+]c2ccccc2n1CC(=O)Nc1cc(C#N)ccc1NC ZINC000348389214 456661357 /nfs/dbraw/zinc/66/13/57/456661357.db2.gz HENHZHBEVZNJEV-UHFFFAOYSA-N 1 2 333.395 3.151 20 30 EGEDLO N#Cc1nc(N2CCC(CCCn3cc[nH+]c3)CC2)ccc1Cl ZINC000340787137 456685856 /nfs/dbraw/zinc/68/58/56/456685856.db2.gz UQKCLQCDLLXSSD-UHFFFAOYSA-N 1 2 329.835 3.500 20 30 EGEDLO C#CCCCC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000277136026 456693369 /nfs/dbraw/zinc/69/33/69/456693369.db2.gz BQXXVFIKXBYDLC-UHFFFAOYSA-N 1 2 333.435 3.064 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNC([O-])=[NH+][C@H]1CCc3c1cccc3F)CCC2 ZINC000328651461 456729651 /nfs/dbraw/zinc/72/96/51/456729651.db2.gz JUFGNXUCLVRXTK-GUYCJALGSA-N 1 2 342.418 3.399 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N[C@H]1CCc3c1cccc3F)CCC2 ZINC000328651461 456729659 /nfs/dbraw/zinc/72/96/59/456729659.db2.gz JUFGNXUCLVRXTK-GUYCJALGSA-N 1 2 342.418 3.399 20 30 EGEDLO N#Cc1ccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1F ZINC000353522360 456733238 /nfs/dbraw/zinc/73/32/38/456733238.db2.gz MZGDQXYWHYEVJF-UHFFFAOYSA-N 1 2 349.369 3.264 20 30 EGEDLO O=C(NC[C@@H]1CCCC(F)(F)C1)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328687113 456736938 /nfs/dbraw/zinc/73/69/38/456736938.db2.gz YTUDUHIFYAMDIE-OLZOCXBDSA-N 1 2 326.391 3.090 20 30 EGEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000328760061 456754257 /nfs/dbraw/zinc/75/42/57/456754257.db2.gz XFXPUGWCMKAIHS-BMGDILEWSA-N 1 2 337.423 3.443 20 30 EGEDLO Cc1ccc(C(C)(C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)cn1 ZINC000353582261 456781107 /nfs/dbraw/zinc/78/11/07/456781107.db2.gz QAAOLDQKRAUYHQ-UHFFFAOYSA-N 1 2 333.395 3.337 20 30 EGEDLO Cc1cc(C)cc(NC(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)c1 ZINC000328935775 456795496 /nfs/dbraw/zinc/79/54/96/456795496.db2.gz FQGBIFGEQBKSMN-KRWDZBQOSA-N 1 2 342.443 3.340 20 30 EGEDLO Cc1cc(NC(=O)N2CCC(=O)[C@H](C)C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000328966030 456803472 /nfs/dbraw/zinc/80/34/72/456803472.db2.gz MQAINAYKTNYORV-CABCVRRESA-N 1 2 344.459 3.225 20 30 EGEDLO Cc1ccc([C@H](CNc2ccc(C#N)cc2F)[NH+]2CCOCC2)cc1 ZINC000301137577 456805021 /nfs/dbraw/zinc/80/50/21/456805021.db2.gz CTAXOOGPPZYIIL-FQEVSTJZSA-N 1 2 339.414 3.491 20 30 EGEDLO CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329029441 456818409 /nfs/dbraw/zinc/81/84/09/456818409.db2.gz AOTPRXUBSFSYHD-HXUWFJFHSA-N 1 2 346.471 3.454 20 30 EGEDLO CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329029441 456818412 /nfs/dbraw/zinc/81/84/12/456818412.db2.gz AOTPRXUBSFSYHD-HXUWFJFHSA-N 1 2 346.471 3.454 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(N)[nH+]c1 ZINC000338441341 456820922 /nfs/dbraw/zinc/82/09/22/456820922.db2.gz YVVLMYPBKWPXBL-GFCCVEGCSA-N 1 2 341.440 3.068 20 30 EGEDLO CC(=O)N1CC[C@H](C(=O)NCc2ccc3c(c2)[nH+]c(C)n3C2CC2)C1 ZINC000329041690 456821385 /nfs/dbraw/zinc/82/13/85/456821385.db2.gz DPXOMWNWUMSWOJ-HNNXBMFYSA-N 1 2 340.427 3.005 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CCC(=O)[C@@H](C)C1)C1CCOCC1 ZINC000329057422 456824792 /nfs/dbraw/zinc/82/47/92/456824792.db2.gz MOHDFDNSUJFICN-YSVLISHTSA-N 1 2 347.459 3.333 20 30 EGEDLO Cc1noc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3c(F)cccc3F)C2)n1 ZINC000329065490 456825177 /nfs/dbraw/zinc/82/51/77/456825177.db2.gz WEMZFBFUMJQQGL-GXSJLCMTSA-N 1 2 336.342 3.122 20 30 EGEDLO Cc1noc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3c(F)cccc3F)C2)n1 ZINC000329065490 456825184 /nfs/dbraw/zinc/82/51/84/456825184.db2.gz WEMZFBFUMJQQGL-GXSJLCMTSA-N 1 2 336.342 3.122 20 30 EGEDLO COc1cc(OC)cc(C2(F)CC[NH+](C[C@H](C#N)CCC#N)CC2)c1 ZINC000338633930 456846447 /nfs/dbraw/zinc/84/64/47/456846447.db2.gz SJDSHHTXUJQHBR-HNNXBMFYSA-N 1 2 345.418 3.408 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1C[C@H](C)CC1(C)C)C1CCOCC1 ZINC000329251847 456860715 /nfs/dbraw/zinc/86/07/15/456860715.db2.gz BQWGBGHOVACACZ-GDBMZVCRSA-N 1 2 348.491 3.405 20 30 EGEDLO C=CC[N@H+](Cc1cn(-c2ccccc2)nn1)Cc1ccc(OC)cc1 ZINC000338926389 456867262 /nfs/dbraw/zinc/86/72/62/456867262.db2.gz DAHJMZAWCNAPPB-UHFFFAOYSA-N 1 2 334.423 3.464 20 30 EGEDLO C=CC[N@@H+](Cc1cn(-c2ccccc2)nn1)Cc1ccc(OC)cc1 ZINC000338926389 456867265 /nfs/dbraw/zinc/86/72/65/456867265.db2.gz DAHJMZAWCNAPPB-UHFFFAOYSA-N 1 2 334.423 3.464 20 30 EGEDLO O=C(N[C@@H]1CCCOc2c(F)cccc21)C1([NH+]2CCOCC2)CCC1 ZINC000329441361 456891480 /nfs/dbraw/zinc/89/14/80/456891480.db2.gz KCKVQWQORNJTNR-MRXNPFEDSA-N 1 2 348.418 3.251 20 30 EGEDLO CC(C)C[C@@H]1C[C@H](NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CCO1 ZINC000329474839 456895774 /nfs/dbraw/zinc/89/57/74/456895774.db2.gz OWHIKVHWDABQGQ-OAGGEKHMSA-N 1 2 334.464 3.444 20 30 EGEDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)[C@@H]1C[C@@]12CCOC2 ZINC000329649810 456921131 /nfs/dbraw/zinc/92/11/31/456921131.db2.gz JTGGVCAJYPIYHK-QFBILLFUSA-N 1 2 329.444 3.345 20 30 EGEDLO CC[C@H](NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)c1c(C)nn(C)c1C ZINC000329811485 456944018 /nfs/dbraw/zinc/94/40/18/456944018.db2.gz RIMVYVDRMHSQMJ-LSDHHAIUSA-N 1 2 344.463 3.352 20 30 EGEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000349374289 456957052 /nfs/dbraw/zinc/95/70/52/456957052.db2.gz QUIMXRVQFJXZDC-NVXWUHKLSA-N 1 2 340.475 3.475 20 30 EGEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000349374289 456957053 /nfs/dbraw/zinc/95/70/53/456957053.db2.gz QUIMXRVQFJXZDC-NVXWUHKLSA-N 1 2 340.475 3.475 20 30 EGEDLO CCN1CC[N@@H+]([C@H](C)C(=O)NC2CCC(C)CC2)C[C@H]1c1ncc[nH]1 ZINC000329901647 456958794 /nfs/dbraw/zinc/95/87/94/456958794.db2.gz HCGGWWFEVISCGZ-MYBQVCMBSA-N 1 2 347.507 3.012 20 30 EGEDLO CCN1CC[N@H+]([C@H](C)C(=O)NC2CCC(C)CC2)C[C@H]1c1ncc[nH]1 ZINC000329901647 456958798 /nfs/dbraw/zinc/95/87/98/456958798.db2.gz HCGGWWFEVISCGZ-MYBQVCMBSA-N 1 2 347.507 3.012 20 30 EGEDLO CCN1CCN(C(=O)NCCC2=CCCCCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329945458 456964560 /nfs/dbraw/zinc/96/45/60/456964560.db2.gz FWYIXGWPZUHLDU-KRWDZBQOSA-N 1 2 345.491 3.283 20 30 EGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cc(=O)[nH]c(C3CC3)c1)CCC2 ZINC000329946483 456964592 /nfs/dbraw/zinc/96/45/92/456964592.db2.gz GJZXJELHZGOIOK-CYBMUJFWSA-N 1 2 326.400 3.052 20 30 EGEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000329962130 456967606 /nfs/dbraw/zinc/96/76/06/456967606.db2.gz SOJWKABFSZZXIE-YHUYYLMFSA-N 1 2 335.423 3.206 20 30 EGEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000329962130 456967612 /nfs/dbraw/zinc/96/76/12/456967612.db2.gz SOJWKABFSZZXIE-YHUYYLMFSA-N 1 2 335.423 3.206 20 30 EGEDLO CCN1CCN(C(=O)Nc2ccc(C)c(Cl)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330015180 456974833 /nfs/dbraw/zinc/97/48/33/456974833.db2.gz BLQXYLBIIATJQC-OAHLLOKOSA-N 1 2 347.850 3.296 20 30 EGEDLO CCc1cc(=O)c2cc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)ccc2[nH]1 ZINC000330238194 457009009 /nfs/dbraw/zinc/00/90/09/457009009.db2.gz VCTWHSCRXHQRKE-QGZVFWFLSA-N 1 2 325.412 3.305 20 30 EGEDLO CCc1cc(=O)c2cc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)ccc2[nH]1 ZINC000330238194 457009012 /nfs/dbraw/zinc/00/90/12/457009012.db2.gz VCTWHSCRXHQRKE-QGZVFWFLSA-N 1 2 325.412 3.305 20 30 EGEDLO CCN1CCN(C(=O)Nc2cccc(C(C)C)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330288502 457021666 /nfs/dbraw/zinc/02/16/66/457021666.db2.gz DBKLHCRCBVTAFA-KRWDZBQOSA-N 1 2 341.459 3.457 20 30 EGEDLO C[C@@H]1Sc2ccc(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)cc2NC1=O ZINC000330316509 457025872 /nfs/dbraw/zinc/02/58/72/457025872.db2.gz QAEPRBXHSXIZMX-CMPLNLGQSA-N 1 2 342.424 3.285 20 30 EGEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(c3ccsc3)CC2)cc1 ZINC000362660045 457030790 /nfs/dbraw/zinc/03/07/90/457030790.db2.gz YGIOCOJRYKSJNQ-QGZVFWFLSA-N 1 2 325.437 3.026 20 30 EGEDLO C#CCOc1ccc(C[NH2+][C@H](c2nccn2C)c2ccccc2F)cc1 ZINC000362719471 457059807 /nfs/dbraw/zinc/05/98/07/457059807.db2.gz KKUSPNKZTJRSBB-FQEVSTJZSA-N 1 2 349.409 3.450 20 30 EGEDLO Cc1nc(C(C)(C)C)sc1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000330625249 457062802 /nfs/dbraw/zinc/06/28/02/457062802.db2.gz SSBWCIHTXNOINR-DGCLKSJQSA-N 1 2 339.505 3.163 20 30 EGEDLO N#CCCCCCc1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000349847003 457076652 /nfs/dbraw/zinc/07/66/52/457076652.db2.gz RQWSWQVGQGJWHS-KRWDZBQOSA-N 1 2 340.427 3.270 20 30 EGEDLO N#CCCCCCc1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000349847003 457076656 /nfs/dbraw/zinc/07/66/56/457076656.db2.gz RQWSWQVGQGJWHS-KRWDZBQOSA-N 1 2 340.427 3.270 20 30 EGEDLO Cc1nn(C)c(N2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)c1C#N ZINC000349849719 457077267 /nfs/dbraw/zinc/07/72/67/457077267.db2.gz CVDNEMSGIFSIFE-AWEZNQCLSA-N 1 2 343.862 3.137 20 30 EGEDLO CC[C@](C)(O)CNC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000330769354 457082555 /nfs/dbraw/zinc/08/25/55/457082555.db2.gz AGBMYAMEYNLNHF-KDOFPFPSSA-N 1 2 334.464 3.256 20 30 EGEDLO Cc1ccc(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1OC(C)C ZINC000331179444 457143609 /nfs/dbraw/zinc/14/36/09/457143609.db2.gz WTEOFUNBFFJYMW-UHFFFAOYSA-N 1 2 349.475 3.219 20 30 EGEDLO Cc1ccc(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1OC(C)C ZINC000331179444 457143614 /nfs/dbraw/zinc/14/36/14/457143614.db2.gz WTEOFUNBFFJYMW-UHFFFAOYSA-N 1 2 349.475 3.219 20 30 EGEDLO C=CC[C@@H](CC)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000346945057 457192108 /nfs/dbraw/zinc/19/21/08/457192108.db2.gz MPJBJXBGUXCMBB-QGZVFWFLSA-N 1 2 326.444 3.128 20 30 EGEDLO CCc1ccc([C@H]2CCC[N@@H+]2CC(=O)NC2(C#N)CCCCC2)o1 ZINC000331530994 457201864 /nfs/dbraw/zinc/20/18/64/457201864.db2.gz AYVLXTPMOYMJAO-MRXNPFEDSA-N 1 2 329.444 3.322 20 30 EGEDLO CCc1ccc([C@H]2CCC[N@H+]2CC(=O)NC2(C#N)CCCCC2)o1 ZINC000331530994 457201867 /nfs/dbraw/zinc/20/18/67/457201867.db2.gz AYVLXTPMOYMJAO-MRXNPFEDSA-N 1 2 329.444 3.322 20 30 EGEDLO Cn1c[nH+]cc1CCC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000356975148 457252383 /nfs/dbraw/zinc/25/23/83/457252383.db2.gz JVOOBMZAXGXXDX-UHFFFAOYSA-N 1 2 347.378 3.050 20 30 EGEDLO Cc1cccc(C)c1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000347232215 457301499 /nfs/dbraw/zinc/30/14/99/457301499.db2.gz LRBZGGNHTKXCCG-UHFFFAOYSA-N 1 2 347.462 3.062 20 30 EGEDLO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000332272687 457339218 /nfs/dbraw/zinc/33/92/18/457339218.db2.gz GUOWDWNGXQAQBT-UHFFFAOYSA-N 1 2 340.452 3.278 20 30 EGEDLO C=CCc1cc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc(OC)c1OC ZINC000378412655 457395749 /nfs/dbraw/zinc/39/57/49/457395749.db2.gz RGQJSCWJVTXWTF-HNNXBMFYSA-N 1 2 341.411 3.133 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(CCC#N)CCC(C)C ZINC000355673824 457398476 /nfs/dbraw/zinc/39/84/76/457398476.db2.gz QKDRETAFQPLBCN-UHFFFAOYSA-N 1 2 348.397 3.411 20 30 EGEDLO COc1ccc(Cl)cc1N1CC[C@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000425223433 457464887 /nfs/dbraw/zinc/46/48/87/457464887.db2.gz KBXHIQXDTXCJDM-HNNXBMFYSA-N 1 2 342.830 3.036 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000363954240 457468011 /nfs/dbraw/zinc/46/80/11/457468011.db2.gz VYUBWXBCVRBGDW-OALUTQOASA-N 1 2 344.418 3.175 20 30 EGEDLO Cc1ccc(C#N)cc1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000360966733 457473492 /nfs/dbraw/zinc/47/34/92/457473492.db2.gz SYCYHLGNOIVABM-UHFFFAOYSA-N 1 2 331.379 3.374 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2cc(OC)ccc2OC(F)F)CC1 ZINC000342837997 457551411 /nfs/dbraw/zinc/55/14/11/457551411.db2.gz NZRJVIYUTIKRJF-UHFFFAOYSA-N 1 2 340.370 3.049 20 30 EGEDLO C=CCCC1(C(=O)NC[C@@H](c2ccc(C)s2)[NH+]2CCOCC2)CC1 ZINC000356315187 457569794 /nfs/dbraw/zinc/56/97/94/457569794.db2.gz DSSIUTHBHBJAQB-INIZCTEOSA-N 1 2 348.512 3.292 20 30 EGEDLO C=CCCC1(C(=O)N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)CC1 ZINC000356329738 457575197 /nfs/dbraw/zinc/57/51/97/457575197.db2.gz ZBKRDNKXKQTEQR-INIZCTEOSA-N 1 2 348.512 3.326 20 30 EGEDLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000361139091 457609425 /nfs/dbraw/zinc/60/94/25/457609425.db2.gz FTBSCZJTAZFYHQ-CRAIPNDOSA-N 1 2 330.428 3.143 20 30 EGEDLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000361139091 457609427 /nfs/dbraw/zinc/60/94/27/457609427.db2.gz FTBSCZJTAZFYHQ-CRAIPNDOSA-N 1 2 330.428 3.143 20 30 EGEDLO Cc1ccc(NC(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)c(C)c1 ZINC000370310062 457616493 /nfs/dbraw/zinc/61/64/93/457616493.db2.gz WXFSMWGFIRDVOP-UHFFFAOYSA-N 1 2 348.450 3.194 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000361480539 457744873 /nfs/dbraw/zinc/74/48/73/457744873.db2.gz YFHQTVYRBBAIKD-OAHLLOKOSA-N 1 2 343.477 3.348 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000361480539 457744875 /nfs/dbraw/zinc/74/48/75/457744875.db2.gz YFHQTVYRBBAIKD-OAHLLOKOSA-N 1 2 343.477 3.348 20 30 EGEDLO C[N@@H+]1CCN(C(=O)[C@H](C#N)CCc2ccccc2)[C@H](c2ccccc2)C1 ZINC000433231284 457785034 /nfs/dbraw/zinc/78/50/34/457785034.db2.gz XPUIGLUFEVAETQ-SFTDATJTSA-N 1 2 347.462 3.274 20 30 EGEDLO C[N@H+]1CCN(C(=O)[C@H](C#N)CCc2ccccc2)[C@H](c2ccccc2)C1 ZINC000433231284 457785044 /nfs/dbraw/zinc/78/50/44/457785044.db2.gz XPUIGLUFEVAETQ-SFTDATJTSA-N 1 2 347.462 3.274 20 30 EGEDLO C[C@@H](NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N)c1cc2ccccc2o1 ZINC000433303240 457804233 /nfs/dbraw/zinc/80/42/33/457804233.db2.gz KKMSKAKFGPPQAY-KGLIPLIRSA-N 1 2 327.428 3.480 20 30 EGEDLO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N)c1cc2ccccc2o1 ZINC000433303240 457804241 /nfs/dbraw/zinc/80/42/41/457804241.db2.gz KKMSKAKFGPPQAY-KGLIPLIRSA-N 1 2 327.428 3.480 20 30 EGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000411128273 457809736 /nfs/dbraw/zinc/80/97/36/457809736.db2.gz CQNNIDJXYCUVLT-GFCCVEGCSA-N 1 2 337.876 3.340 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000411128273 457809742 /nfs/dbraw/zinc/80/97/42/457809742.db2.gz CQNNIDJXYCUVLT-GFCCVEGCSA-N 1 2 337.876 3.340 20 30 EGEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000411665696 457943604 /nfs/dbraw/zinc/94/36/04/457943604.db2.gz HGOWMASMVUWYRF-CQSZACIVSA-N 1 2 327.453 3.351 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@H+](CC3=Cc4ccccc4OC3)CCO2)c1 ZINC000371464810 457944054 /nfs/dbraw/zinc/94/40/54/457944054.db2.gz WXEZTJFGOMPPEJ-OAQYLSRUSA-N 1 2 332.403 3.408 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@@H+](CC3=Cc4ccccc4OC3)CCO2)c1 ZINC000371464810 457944058 /nfs/dbraw/zinc/94/40/58/457944058.db2.gz WXEZTJFGOMPPEJ-OAQYLSRUSA-N 1 2 332.403 3.408 20 30 EGEDLO C=CCSCCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434103899 457947207 /nfs/dbraw/zinc/94/72/07/457947207.db2.gz KPMSPMYGEJKIKW-UHFFFAOYSA-N 1 2 348.516 3.028 20 30 EGEDLO C#CCCOc1ccc(C[N@H+]2CCOC[C@@H]2c2c(C)n[nH]c2C)cc1 ZINC000367449859 457956693 /nfs/dbraw/zinc/95/66/93/457956693.db2.gz YPMSJFYQARXWDG-LJQANCHMSA-N 1 2 339.439 3.002 20 30 EGEDLO C#CCCOc1ccc(C[N@@H+]2CCOC[C@@H]2c2c(C)n[nH]c2C)cc1 ZINC000367449859 457956700 /nfs/dbraw/zinc/95/67/00/457956700.db2.gz YPMSJFYQARXWDG-LJQANCHMSA-N 1 2 339.439 3.002 20 30 EGEDLO COc1cccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)c1 ZINC000362005810 458001656 /nfs/dbraw/zinc/00/16/56/458001656.db2.gz WQHJFYUQGPRXLI-CYBMUJFWSA-N 1 2 334.379 3.468 20 30 EGEDLO N#CCc1ccc(C[S@@](=O)Cc2[nH+]ccn2-c2ccccc2)cc1 ZINC000434629677 458025934 /nfs/dbraw/zinc/02/59/34/458025934.db2.gz RLAZLVGCXMVWNO-XMMPIXPASA-N 1 2 335.432 3.387 20 30 EGEDLO C[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1csnn1 ZINC000412048806 458067002 /nfs/dbraw/zinc/06/70/02/458067002.db2.gz YFMFGMDFHUAKEI-JTQLQIEISA-N 1 2 327.331 3.139 20 30 EGEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000435032878 458080737 /nfs/dbraw/zinc/08/07/37/458080737.db2.gz IMLWQLGBTMEIFH-INIZCTEOSA-N 1 2 326.396 3.064 20 30 EGEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000435032878 458080747 /nfs/dbraw/zinc/08/07/47/458080747.db2.gz IMLWQLGBTMEIFH-INIZCTEOSA-N 1 2 326.396 3.064 20 30 EGEDLO N#C[C@@H]1N(Cc2ccc(-n3cc[nH+]c3)cc2)CCC[C@@]12CCCCO2 ZINC000369306028 458166294 /nfs/dbraw/zinc/16/62/94/458166294.db2.gz NQNWNZZEKQWPKK-PMACEKPBSA-N 1 2 336.439 3.300 20 30 EGEDLO C[C@H]1CN(c2cccc3cnccc32)CC[N@@H+]1C[C@H](C#N)CCC#N ZINC000447395078 458292447 /nfs/dbraw/zinc/29/24/47/458292447.db2.gz RMWKUEMWBBQVBY-IRXDYDNUSA-N 1 2 333.439 3.189 20 30 EGEDLO C[C@H]1CN(c2cccc3cnccc32)CC[N@H+]1C[C@H](C#N)CCC#N ZINC000447395078 458292448 /nfs/dbraw/zinc/29/24/48/458292448.db2.gz RMWKUEMWBBQVBY-IRXDYDNUSA-N 1 2 333.439 3.189 20 30 EGEDLO COc1cc(OC)c2ncc(C#N)c(NCCc3ccc(C)c[nH+]3)c2c1 ZINC000413350096 458298158 /nfs/dbraw/zinc/29/81/58/458298158.db2.gz VIBQPVMKBWHYJY-UHFFFAOYSA-N 1 2 348.406 3.482 20 30 EGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000413556216 458303187 /nfs/dbraw/zinc/30/31/87/458303187.db2.gz ZMFLSAZBSRWLNY-MSOLQXFVSA-N 1 2 338.455 3.358 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447830488 458350391 /nfs/dbraw/zinc/35/03/91/458350391.db2.gz VHZDGJNVDGORFP-WBMJQRKESA-N 1 2 349.862 3.286 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447830488 458350395 /nfs/dbraw/zinc/35/03/95/458350395.db2.gz VHZDGJNVDGORFP-WBMJQRKESA-N 1 2 349.862 3.286 20 30 EGEDLO N#C[C@H]1N(Cc2cc(-n3cc[nH+]c3)cs2)CCC[C@]12CCCCO2 ZINC000448270780 458399486 /nfs/dbraw/zinc/39/94/86/458399486.db2.gz GTIDOYCCFOBBIZ-QZTJIDSGSA-N 1 2 342.468 3.361 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000459673178 458443631 /nfs/dbraw/zinc/44/36/31/458443631.db2.gz HUOHEJVQPDZKQT-CQSZACIVSA-N 1 2 345.874 3.429 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCc2cccc(Cl)c2C1 ZINC000459673178 458443634 /nfs/dbraw/zinc/44/36/34/458443634.db2.gz HUOHEJVQPDZKQT-CQSZACIVSA-N 1 2 345.874 3.429 20 30 EGEDLO N#CC1(CCC[N@H+]2CCOC[C@@H]2c2ccc(F)cc2)CCOCC1 ZINC000451803908 458488252 /nfs/dbraw/zinc/48/82/52/458488252.db2.gz WELZNCUBOGTQTP-GOSISDBHSA-N 1 2 332.419 3.300 20 30 EGEDLO N#CC1(CCC[N@@H+]2CCOC[C@@H]2c2ccc(F)cc2)CCOCC1 ZINC000451803908 458488257 /nfs/dbraw/zinc/48/82/57/458488257.db2.gz WELZNCUBOGTQTP-GOSISDBHSA-N 1 2 332.419 3.300 20 30 EGEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)COc1ccc(C#N)cc1 ZINC000373619563 458555170 /nfs/dbraw/zinc/55/51/70/458555170.db2.gz STHSDVYVRONIOX-UHFFFAOYSA-N 1 2 332.363 3.274 20 30 EGEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000454730847 458572991 /nfs/dbraw/zinc/57/29/91/458572991.db2.gz YTFPZMCUNOPYKL-GDBMZVCRSA-N 1 2 325.416 3.308 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000424542944 458657525 /nfs/dbraw/zinc/65/75/25/458657525.db2.gz NWSYRGUGDJRTAL-UHFFFAOYSA-N 1 2 334.435 3.081 20 30 EGEDLO C=CCOc1cccc(NC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000508620029 458762120 /nfs/dbraw/zinc/76/21/20/458762120.db2.gz ONDUCBHMSOORHF-MDZRGWNJSA-N 1 2 346.471 3.324 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)Nc1cccc(Cl)c1)Cc1ccc(CO)o1 ZINC000512224498 458783986 /nfs/dbraw/zinc/78/39/86/458783986.db2.gz CEQXLUXWULZTKU-UHFFFAOYSA-N 1 2 348.830 3.442 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)Nc1cccc(Cl)c1)Cc1ccc(CO)o1 ZINC000512224498 458783995 /nfs/dbraw/zinc/78/39/95/458783995.db2.gz CEQXLUXWULZTKU-UHFFFAOYSA-N 1 2 348.830 3.442 20 30 EGEDLO C[C@H](CNC(=O)c1ccc(C#Cc2ccccc2)cc1)Cn1cc[nH+]c1 ZINC000530608871 458799914 /nfs/dbraw/zinc/79/99/14/458799914.db2.gz LPDJPKUKKSWDOL-GOSISDBHSA-N 1 2 343.430 3.349 20 30 EGEDLO C[C@H]1CCCC[C@@H]1OCCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000515122610 458805729 /nfs/dbraw/zinc/80/57/29/458805729.db2.gz LSKLMKCQUPRAOS-RXVVDRJESA-N 1 2 341.499 3.271 20 30 EGEDLO C=C[C@H]1CCCCN1C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000495179396 458806699 /nfs/dbraw/zinc/80/66/99/458806699.db2.gz BSLHXQYWYCJAIA-BBRMVZONSA-N 1 2 337.414 3.318 20 30 EGEDLO COc1ccc(Br)c(C[N@H+](C)Cc2cc(C#N)n(C)c2)c1 ZINC000432898219 458809037 /nfs/dbraw/zinc/80/90/37/458809037.db2.gz IBAXQVHBDCVRMW-UHFFFAOYSA-N 1 2 348.244 3.300 20 30 EGEDLO COc1ccc(Br)c(C[N@@H+](C)Cc2cc(C#N)n(C)c2)c1 ZINC000432898219 458809039 /nfs/dbraw/zinc/80/90/39/458809039.db2.gz IBAXQVHBDCVRMW-UHFFFAOYSA-N 1 2 348.244 3.300 20 30 EGEDLO CC[C@@H](CC#N)[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000515864450 458813614 /nfs/dbraw/zinc/81/36/14/458813614.db2.gz DBJPTLZCMHKSLX-GXTWGEPZSA-N 1 2 325.334 3.093 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000516192894 458814919 /nfs/dbraw/zinc/81/49/19/458814919.db2.gz LUACCEOLVVJPQC-FQEVSTJZSA-N 1 2 341.455 3.296 20 30 EGEDLO CC#CC[N@H+](C)CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000550491231 458885994 /nfs/dbraw/zinc/88/59/94/458885994.db2.gz JOHLLEPSANYNHJ-NRFANRHFSA-N 1 2 338.426 3.329 20 30 EGEDLO CC#CC[N@@H+](C)CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000550491231 458886003 /nfs/dbraw/zinc/88/60/03/458886003.db2.gz JOHLLEPSANYNHJ-NRFANRHFSA-N 1 2 338.426 3.329 20 30 EGEDLO C[C@H]1CCCC[C@H]1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000518737742 458888484 /nfs/dbraw/zinc/88/84/84/458888484.db2.gz WUHBHCGGMPDYKV-PXNSSMCTSA-N 1 2 339.483 3.419 20 30 EGEDLO C=CCn1c(CC)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000554610684 458900859 /nfs/dbraw/zinc/90/08/59/458900859.db2.gz ZWCKBGUGMHEDKU-UHFFFAOYSA-N 1 2 345.878 3.002 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1C#N ZINC000576917366 458945415 /nfs/dbraw/zinc/94/54/15/458945415.db2.gz TWMOOUUZILPQIY-UHFFFAOYSA-N 1 2 348.402 3.098 20 30 EGEDLO COC(=O)c1cccc(C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1C#N ZINC000576917366 458945419 /nfs/dbraw/zinc/94/54/19/458945419.db2.gz TWMOOUUZILPQIY-UHFFFAOYSA-N 1 2 348.402 3.098 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000495956302 459018505 /nfs/dbraw/zinc/01/85/05/459018505.db2.gz CEURIFGIIHYWIM-CQSZACIVSA-N 1 2 347.434 3.434 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000495956302 459018508 /nfs/dbraw/zinc/01/85/08/459018508.db2.gz CEURIFGIIHYWIM-CQSZACIVSA-N 1 2 347.434 3.434 20 30 EGEDLO N#Cc1ccc([C@@H]([NH2+][C@@H]2CCCc3c(F)cc(F)cc32)C(N)=O)cc1 ZINC000566963799 459028503 /nfs/dbraw/zinc/02/85/03/459028503.db2.gz APMVFBORGCKNAD-QZTJIDSGSA-N 1 2 341.361 3.030 20 30 EGEDLO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@H](C)C#N ZINC000594611768 459111881 /nfs/dbraw/zinc/11/18/81/459111881.db2.gz KIFWTPJXNKRYJQ-LLVKDONJSA-N 1 2 333.233 3.193 20 30 EGEDLO N#Cc1nc(NCc2cc[nH+]c(N3CCCCC3)c2)sc1Cl ZINC000590574626 459152503 /nfs/dbraw/zinc/15/25/03/459152503.db2.gz OGHXZIHWPMAHFB-UHFFFAOYSA-N 1 2 333.848 3.087 20 30 EGEDLO Cc1cc(N2CCS[C@H](C)C2)c(C#N)c(N2CCS[C@H](C)C2)[nH+]1 ZINC000590576592 459152649 /nfs/dbraw/zinc/15/26/49/459152649.db2.gz KRGVFWNOCQSKMG-ZIAGYGMSSA-N 1 2 348.541 3.145 20 30 EGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000533071100 459185385 /nfs/dbraw/zinc/18/53/85/459185385.db2.gz ZSTNQTDXMMCLJR-INIZCTEOSA-N 1 2 349.434 3.086 20 30 EGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCc2ccc(O)cc2C1 ZINC000533071100 459185388 /nfs/dbraw/zinc/18/53/88/459185388.db2.gz ZSTNQTDXMMCLJR-INIZCTEOSA-N 1 2 349.434 3.086 20 30 EGEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)C1 ZINC000568198851 459246833 /nfs/dbraw/zinc/24/68/33/459246833.db2.gz KEZDPPYZDDYRMU-JMSVASOKSA-N 1 2 342.365 3.045 20 30 EGEDLO N#C[C@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CCCCC1 ZINC000579974215 459254571 /nfs/dbraw/zinc/25/45/71/459254571.db2.gz MEOUDPUTIFRTGK-IBGZPJMESA-N 1 2 336.439 3.063 20 30 EGEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCSc2ccc(F)cc2F)CC1 ZINC000595399416 459290798 /nfs/dbraw/zinc/29/07/98/459290798.db2.gz WJFMIZNZRNIXQS-MRXNPFEDSA-N 1 2 339.455 3.223 20 30 EGEDLO C[N@H+](CCC#N)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000496743525 459307873 /nfs/dbraw/zinc/30/78/73/459307873.db2.gz FIUJBICFUKNPCU-UHFFFAOYSA-N 1 2 329.444 3.325 20 30 EGEDLO C[N@@H+](CCC#N)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000496743525 459307877 /nfs/dbraw/zinc/30/78/77/459307877.db2.gz FIUJBICFUKNPCU-UHFFFAOYSA-N 1 2 329.444 3.325 20 30 EGEDLO C[C@H](NC(=O)NCc1ccc[nH+]c1N1CCCC1)c1cccc(C#N)c1 ZINC000595543084 459340325 /nfs/dbraw/zinc/34/03/25/459340325.db2.gz YEAWDMNWQQOHNO-HNNXBMFYSA-N 1 2 349.438 3.114 20 30 EGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(C)[nH+]cc1C ZINC000536619635 459361216 /nfs/dbraw/zinc/36/12/16/459361216.db2.gz PDJQNLKDQWXQJV-UHFFFAOYSA-N 1 2 325.412 3.349 20 30 EGEDLO C=C(CC)C[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000536893583 459362186 /nfs/dbraw/zinc/36/21/86/459362186.db2.gz MIAHRAGPXHIRSK-UHFFFAOYSA-N 1 2 348.921 3.064 20 30 EGEDLO C=C(CC)C[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000536893583 459362193 /nfs/dbraw/zinc/36/21/93/459362193.db2.gz MIAHRAGPXHIRSK-UHFFFAOYSA-N 1 2 348.921 3.064 20 30 EGEDLO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000595671404 459390933 /nfs/dbraw/zinc/39/09/33/459390933.db2.gz FVVUHVLRJKHMGX-LRDDRELGSA-N 1 2 337.261 3.304 20 30 EGEDLO C[C@@H](CO)[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000595671404 459390939 /nfs/dbraw/zinc/39/09/39/459390939.db2.gz FVVUHVLRJKHMGX-LRDDRELGSA-N 1 2 337.261 3.304 20 30 EGEDLO N#Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)ccc1Cl ZINC000540848755 459392564 /nfs/dbraw/zinc/39/25/64/459392564.db2.gz ZAGUBTGFNQVUTK-UHFFFAOYSA-N 1 2 340.814 3.137 20 30 EGEDLO CC1(C)CO[C@@H](c2cccc(F)c2)C[N@@H+]1Cc1ccc(C#N)cn1 ZINC000595761356 459429672 /nfs/dbraw/zinc/42/96/72/459429672.db2.gz UYGHFYRFSMLNLA-GOSISDBHSA-N 1 2 325.387 3.444 20 30 EGEDLO CC1(C)CO[C@@H](c2cccc(F)c2)C[N@H+]1Cc1ccc(C#N)cn1 ZINC000595761356 459429679 /nfs/dbraw/zinc/42/96/79/459429679.db2.gz UYGHFYRFSMLNLA-GOSISDBHSA-N 1 2 325.387 3.444 20 30 EGEDLO Cn1cc[nH+]c1[C@H](CC(=O)Nc1ccc(F)c(C#N)c1)C(F)(F)F ZINC000561226348 459433416 /nfs/dbraw/zinc/43/34/16/459433416.db2.gz ZMIUBVIMBDTSDD-NSHDSACASA-N 1 2 340.280 3.106 20 30 EGEDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000497121766 459448950 /nfs/dbraw/zinc/44/89/50/459448950.db2.gz AIJPEQHJPSLOBA-LRDDRELGSA-N 1 2 333.407 3.185 20 30 EGEDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(F)cc1C#N ZINC000497121766 459448954 /nfs/dbraw/zinc/44/89/54/459448954.db2.gz AIJPEQHJPSLOBA-LRDDRELGSA-N 1 2 333.407 3.185 20 30 EGEDLO Cc1cc(C)c2ncc(C#N)c(NCc3cn4ccccc4[nH+]3)c2c1 ZINC000525683319 459476631 /nfs/dbraw/zinc/47/66/31/459476631.db2.gz IBBNDDJOTYFYRC-UHFFFAOYSA-N 1 2 327.391 3.405 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)[C@@H]2C1 ZINC000497317366 459526226 /nfs/dbraw/zinc/52/62/26/459526226.db2.gz XNWFEBAAKXYSRW-RHSMWYFYSA-N 1 2 345.418 3.139 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)[C@@H]2C1 ZINC000497317366 459526230 /nfs/dbraw/zinc/52/62/30/459526230.db2.gz XNWFEBAAKXYSRW-RHSMWYFYSA-N 1 2 345.418 3.139 20 30 EGEDLO Cc1nc(N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)ccc1C#N ZINC000487921194 459535483 /nfs/dbraw/zinc/53/54/83/459535483.db2.gz WFTOPLYLSIBCKA-QGZVFWFLSA-N 1 2 337.814 3.272 20 30 EGEDLO Cc1cccn2cc(CC(=O)N(Cc3ccc(C#N)cc3)C3CC3)[nH+]c12 ZINC000542301849 459544696 /nfs/dbraw/zinc/54/46/96/459544696.db2.gz NBIWAQULPBNFMI-UHFFFAOYSA-N 1 2 344.418 3.248 20 30 EGEDLO CC(C)(C)n1ncc2c1nc(N[C@H](CCC#N)c1ccccc1)[nH+]c2N ZINC000596172688 459548257 /nfs/dbraw/zinc/54/82/57/459548257.db2.gz XDJBAAHACHMDLU-OAHLLOKOSA-N 1 2 349.442 3.042 20 30 EGEDLO Cc1cc(NC(=O)NCC2(C#N)CC2)c[nH+]c1N1CCCC[C@H]1C ZINC000562408869 459556699 /nfs/dbraw/zinc/55/66/99/459556699.db2.gz ZHBXXIAVEFUWHG-CQSZACIVSA-N 1 2 327.432 3.194 20 30 EGEDLO C#C[C@H](CCC)NC(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000490740299 459586291 /nfs/dbraw/zinc/58/62/91/459586291.db2.gz NZRUTPSXWFDWGV-MRXNPFEDSA-N 1 2 338.455 3.493 20 30 EGEDLO C#C[C@H]([NH2+]Cc1cnn(CC(F)F)c1)c1ccc(Cl)cc1F ZINC000491181696 459603717 /nfs/dbraw/zinc/60/37/17/459603717.db2.gz VPJMOERVVFKJQA-AWEZNQCLSA-N 1 2 327.737 3.405 20 30 EGEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cc3ccccc3s2)n1 ZINC000491382203 459621865 /nfs/dbraw/zinc/62/18/65/459621865.db2.gz HWUGZJSMEPCVST-UHFFFAOYSA-N 1 2 339.464 3.380 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cc3ccccc3s2)n1 ZINC000491382203 459621872 /nfs/dbraw/zinc/62/18/72/459621872.db2.gz HWUGZJSMEPCVST-UHFFFAOYSA-N 1 2 339.464 3.380 20 30 EGEDLO C#C[C@@H](NC(=O)N[C@@H](C)c1[nH+]ccn1CC)c1ccc(Cl)cc1 ZINC000491789307 459674231 /nfs/dbraw/zinc/67/42/31/459674231.db2.gz ZEUDITOWLFKAAF-SWLSCSKDSA-N 1 2 330.819 3.291 20 30 EGEDLO Cc1cc(NC(=O)C=Cc2cn(CCC#N)c3ccccc23)cc[nH+]1 ZINC000491865891 459682410 /nfs/dbraw/zinc/68/24/10/459682410.db2.gz KEIKEVCFFKTEEF-FPLPWBNLSA-N 1 2 330.391 3.332 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000596589862 459687244 /nfs/dbraw/zinc/68/72/44/459687244.db2.gz BVKLWRCLUNJLJN-KBXCAEBGSA-N 1 2 334.423 3.363 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000596589862 459687250 /nfs/dbraw/zinc/68/72/50/459687250.db2.gz BVKLWRCLUNJLJN-KBXCAEBGSA-N 1 2 334.423 3.363 20 30 EGEDLO CC1(C)C[N@H+](CC(=O)N(CCC#N)c2ccccc2)[C@H]1c1ccncc1 ZINC000596589833 459687462 /nfs/dbraw/zinc/68/74/62/459687462.db2.gz BLMNNWJWBDTCAM-FQEVSTJZSA-N 1 2 348.450 3.411 20 30 EGEDLO CC1(C)C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)[C@H]1c1ccncc1 ZINC000596589833 459687465 /nfs/dbraw/zinc/68/74/65/459687465.db2.gz BLMNNWJWBDTCAM-FQEVSTJZSA-N 1 2 348.450 3.411 20 30 EGEDLO N#Cc1ccccc1C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000492333705 459701642 /nfs/dbraw/zinc/70/16/42/459701642.db2.gz LQQFZWLSQNOVJY-INIZCTEOSA-N 1 2 349.203 3.283 20 30 EGEDLO CCn1cc[nH+]c1CNC(=O)/C=C/c1cn(CCC#N)c2ccccc12 ZINC000493222990 459737488 /nfs/dbraw/zinc/73/74/88/459737488.db2.gz LLPJUQVGRRSPIZ-CMDGGOBGSA-N 1 2 347.422 3.101 20 30 EGEDLO CC[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)[C@H](C)CO1 ZINC000593064902 459762257 /nfs/dbraw/zinc/76/22/57/459762257.db2.gz WKXPXKIUKUFKRB-SJLPKXTDSA-N 1 2 343.471 3.049 20 30 EGEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)[C@H](C)CO1 ZINC000593064902 459762261 /nfs/dbraw/zinc/76/22/61/459762261.db2.gz WKXPXKIUKUFKRB-SJLPKXTDSA-N 1 2 343.471 3.049 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000566309321 459840262 /nfs/dbraw/zinc/84/02/62/459840262.db2.gz NRKQLAKASLERNI-HXUWFJFHSA-N 1 2 335.407 3.089 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cccc(I)c2)C1 ZINC000597177594 459863308 /nfs/dbraw/zinc/86/33/08/459863308.db2.gz PYLFSTMEWCAJTK-LBPRGKRZSA-N 1 2 340.208 3.417 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cccc(I)c2)C1 ZINC000597177594 459863314 /nfs/dbraw/zinc/86/33/14/459863314.db2.gz PYLFSTMEWCAJTK-LBPRGKRZSA-N 1 2 340.208 3.417 20 30 EGEDLO CCCn1nc(C)c(C[NH+]2CCN(c3ccsc3C#N)CC2)c1C ZINC000597183617 459866416 /nfs/dbraw/zinc/86/64/16/459866416.db2.gz NOUBEHJKDFSOIB-UHFFFAOYSA-N 1 2 343.500 3.165 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609234123 459929782 /nfs/dbraw/zinc/92/97/82/459929782.db2.gz QKIINFYNEDZPBA-UZLBHIALSA-N 1 2 349.434 3.349 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609234123 459929784 /nfs/dbraw/zinc/92/97/84/459929784.db2.gz QKIINFYNEDZPBA-UZLBHIALSA-N 1 2 349.434 3.349 20 30 EGEDLO N#CCCCCCc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000588320765 459946359 /nfs/dbraw/zinc/94/63/59/459946359.db2.gz ZNANLKUDYWKYCW-UHFFFAOYSA-N 1 2 340.427 3.195 20 30 EGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cncc(Cl)c2)CC1 ZINC000598584025 459953221 /nfs/dbraw/zinc/95/32/21/459953221.db2.gz AAAXPLWIJQWOEA-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000609486634 459969643 /nfs/dbraw/zinc/96/96/43/459969643.db2.gz OEVNXIRZESYCCC-INIZCTEOSA-N 1 2 325.378 3.371 20 30 EGEDLO Cc1ccc2[nH+]c(COc3ccc(C(=O)NC[C@@H](C)C#N)cc3)cn2c1 ZINC000609525503 459974062 /nfs/dbraw/zinc/97/40/62/459974062.db2.gz LSDCNNYJBNXSID-HNNXBMFYSA-N 1 2 348.406 3.111 20 30 EGEDLO COc1ccccc1C(=O)N1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000609822855 460025091 /nfs/dbraw/zinc/02/50/91/460025091.db2.gz MAZYAMDYFMAFGG-INIZCTEOSA-N 1 2 349.434 3.086 20 30 EGEDLO C=CCCn1cc(C[N@H+]2CCCC[C@@H]2CCC(=O)OC(C)(C)C)nn1 ZINC000594011290 460056147 /nfs/dbraw/zinc/05/61/47/460056147.db2.gz RQOKWMRAFJNUPL-QGZVFWFLSA-N 1 2 348.491 3.331 20 30 EGEDLO C=CCCn1cc(C[N@@H+]2CCCC[C@@H]2CCC(=O)OC(C)(C)C)nn1 ZINC000594011290 460056151 /nfs/dbraw/zinc/05/61/51/460056151.db2.gz RQOKWMRAFJNUPL-QGZVFWFLSA-N 1 2 348.491 3.331 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026109 460062239 /nfs/dbraw/zinc/06/22/39/460062239.db2.gz CVUMBCWXOIUMSB-MRXNPFEDSA-N 1 2 347.846 3.184 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026109 460062243 /nfs/dbraw/zinc/06/22/43/460062243.db2.gz CVUMBCWXOIUMSB-MRXNPFEDSA-N 1 2 347.846 3.184 20 30 EGEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)[C@H](C#N)CCc2ccccc2)CC1(C)C ZINC000576198109 460088334 /nfs/dbraw/zinc/08/83/34/460088334.db2.gz UCMDURZDKLARBF-DLBZAZTESA-N 1 2 336.439 3.102 20 30 EGEDLO N#Cc1cnc2c(F)ccc(F)c2c1NCc1cn2ccccc2[nH+]1 ZINC000610245475 460094960 /nfs/dbraw/zinc/09/49/60/460094960.db2.gz FGNWLAJXKUJDLO-UHFFFAOYSA-N 1 2 335.317 3.066 20 30 EGEDLO C=CCCSCCNC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000597969769 460128630 /nfs/dbraw/zinc/12/86/30/460128630.db2.gz GLJJOPVOAHSNKF-UHFFFAOYSA-N 1 2 339.411 3.048 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000576409421 460136086 /nfs/dbraw/zinc/13/60/86/460136086.db2.gz SDHGNLGDVLHVKV-YJBOKZPZSA-N 1 2 345.443 3.375 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC000589826912 460143064 /nfs/dbraw/zinc/14/30/64/460143064.db2.gz CNMYSOBVUYDGJI-FQEVSTJZSA-N 1 2 345.487 3.103 20 30 EGEDLO N#CCC1(C[N@@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)CC1 ZINC000602822806 460145504 /nfs/dbraw/zinc/14/55/04/460145504.db2.gz SQSXIIHOIMLGQJ-HNNXBMFYSA-N 1 2 330.432 3.184 20 30 EGEDLO N#CCC1(C[N@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)CC1 ZINC000602822806 460145511 /nfs/dbraw/zinc/14/55/11/460145511.db2.gz SQSXIIHOIMLGQJ-HNNXBMFYSA-N 1 2 330.432 3.184 20 30 EGEDLO COc1ccc2[nH+]c(N3CC[C@H](Oc4ccc(C#N)cn4)C3)ccc2c1 ZINC000589871305 460153304 /nfs/dbraw/zinc/15/33/04/460153304.db2.gz LVRWUXDYSIMMOQ-KRWDZBQOSA-N 1 2 346.390 3.168 20 30 EGEDLO CCc1ccc([C@@H](NC(=O)C[NH2+][C@@H](C)CC#N)c2cccs2)cc1 ZINC000602866965 460164670 /nfs/dbraw/zinc/16/46/70/460164670.db2.gz AREUNLYIFGAGMV-IFXJQAMLSA-N 1 2 341.480 3.408 20 30 EGEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000610542962 460179663 /nfs/dbraw/zinc/17/96/63/460179663.db2.gz RTORAEAUAUWESP-GOSISDBHSA-N 1 2 349.400 3.223 20 30 EGEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000594286762 460181032 /nfs/dbraw/zinc/18/10/32/460181032.db2.gz VSENFNUXNMYQSJ-XPTSAGLGSA-N 1 2 337.210 3.276 20 30 EGEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000594286762 460181034 /nfs/dbraw/zinc/18/10/34/460181034.db2.gz VSENFNUXNMYQSJ-XPTSAGLGSA-N 1 2 337.210 3.276 20 30 EGEDLO CC(=O)c1c(C)cc(C)c(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)c1C ZINC000599181668 460190607 /nfs/dbraw/zinc/19/06/07/460190607.db2.gz QPKWVMYKUQPYFT-FQEVSTJZSA-N 1 2 341.499 3.480 20 30 EGEDLO C=C(C)[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(F)c(F)c1 ZINC000576826267 460220861 /nfs/dbraw/zinc/22/08/61/460220861.db2.gz OCCRZUDNJZKXHF-SUMWQHHRSA-N 1 2 331.366 3.157 20 30 EGEDLO Cc1ccc2sc(C[NH+]3CCN([C@H](C#N)C(C)C)CC3)nc2c1 ZINC000599336613 460232048 /nfs/dbraw/zinc/23/20/48/460232048.db2.gz LOWONHIDGQEXLU-MRXNPFEDSA-N 1 2 328.485 3.271 20 30 EGEDLO C=CCCCCC[N@@H+]1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC000625663190 460233218 /nfs/dbraw/zinc/23/32/18/460233218.db2.gz RNJWVCZYWJADSF-GOSISDBHSA-N 1 2 337.485 3.210 20 30 EGEDLO C=CCCCCC[N@H+]1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC000625663190 460233220 /nfs/dbraw/zinc/23/32/20/460233220.db2.gz RNJWVCZYWJADSF-GOSISDBHSA-N 1 2 337.485 3.210 20 30 EGEDLO COCCOCc1cc(C#N)ccc1NCc1c[nH+]c(C)cc1C ZINC000603391014 460295849 /nfs/dbraw/zinc/29/58/49/460295849.db2.gz PBALYWOQKIBSAQ-UHFFFAOYSA-N 1 2 325.412 3.345 20 30 EGEDLO Cc1ccc(C#N)c(N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)n1 ZINC000603418265 460301095 /nfs/dbraw/zinc/30/10/95/460301095.db2.gz FHNQEMAJDIXMMN-UHFFFAOYSA-N 1 2 347.344 3.002 20 30 EGEDLO N#CCCN1CC[NH+](Cc2coc(-c3cccc(Cl)c3)n2)CC1 ZINC000611176225 460301801 /nfs/dbraw/zinc/30/18/01/460301801.db2.gz ZOCZVARFGVAMPL-UHFFFAOYSA-N 1 2 330.819 3.026 20 30 EGEDLO Cc1ccnc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC000619295518 460322722 /nfs/dbraw/zinc/32/27/22/460322722.db2.gz RBULFAWSEHZXBN-IBGZPJMESA-N 1 2 340.858 3.426 20 30 EGEDLO C=CCN(Cc1[nH]c(C)c(C)[nH+]1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000600153744 460408565 /nfs/dbraw/zinc/40/85/65/460408565.db2.gz HIYVCIREMZLBNP-SFHVURJKSA-N 1 2 341.455 3.189 20 30 EGEDLO C=CC[N@H+](Cc1nc(-c2cc(F)c(F)c(F)c2)no1)[C@@H](C)COC ZINC000661244120 462167263 /nfs/dbraw/zinc/16/72/63/462167263.db2.gz QBAFLAUYECKRMC-JTQLQIEISA-N 1 2 341.333 3.177 20 30 EGEDLO C=CC[N@@H+](Cc1nc(-c2cc(F)c(F)c(F)c2)no1)[C@@H](C)COC ZINC000661244120 462167270 /nfs/dbraw/zinc/16/72/70/462167270.db2.gz QBAFLAUYECKRMC-JTQLQIEISA-N 1 2 341.333 3.177 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H](C)COC ZINC000661244446 462168688 /nfs/dbraw/zinc/16/86/88/462168688.db2.gz UOAJQDGHPFOFAS-NSHDSACASA-N 1 2 331.243 3.455 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H](C)COC ZINC000661244446 462168691 /nfs/dbraw/zinc/16/86/91/462168691.db2.gz UOAJQDGHPFOFAS-NSHDSACASA-N 1 2 331.243 3.455 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCC1(C)CCOCC1 ZINC000330289647 547518263 /nfs/dbraw/zinc/51/82/63/547518263.db2.gz FCGGELKYIFLBAB-HNNXBMFYSA-N 1 2 334.464 3.161 20 30 EGEDLO CC[C@H]1OCCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000330299465 547518740 /nfs/dbraw/zinc/51/87/40/547518740.db2.gz IAGCFQPLGHZLJA-ZWKOTPCHSA-N 1 2 332.444 3.312 20 30 EGEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)N(c1nccs1)C1CCCCC1 ZINC000333628557 547539121 /nfs/dbraw/zinc/53/91/21/547539121.db2.gz QRRJKYFOTJIAKB-OFQRWUPVSA-N 1 2 346.500 3.479 20 30 EGEDLO C#Cc1cccc(NC(=S)N[C@@H](c2[nH+]ccn2C)c2ccccc2)c1 ZINC000726452036 574554544 /nfs/dbraw/zinc/55/45/44/574554544.db2.gz FGCFOQBFIACHPC-GOSISDBHSA-N 1 2 346.459 3.477 20 30 EGEDLO COc1ccc([NH+]2CCC(NC(=O)C3(C#N)CCCCC3)CC2)cc1 ZINC000726562707 574562511 /nfs/dbraw/zinc/56/25/11/574562511.db2.gz OTUPSGYCIKRDDP-UHFFFAOYSA-N 1 2 341.455 3.254 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000730104377 574920149 /nfs/dbraw/zinc/92/01/49/574920149.db2.gz SFZNMRQJNOUDTM-KRWDZBQOSA-N 1 2 339.464 3.463 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000730104377 574920151 /nfs/dbraw/zinc/92/01/51/574920151.db2.gz SFZNMRQJNOUDTM-KRWDZBQOSA-N 1 2 339.464 3.463 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)c(OC2CCCC2)c1 ZINC000730275704 574964946 /nfs/dbraw/zinc/96/49/46/574964946.db2.gz UJRXEJULPSQNMH-KRWDZBQOSA-N 1 2 342.439 3.053 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)c(OC2CCCC2)c1 ZINC000730275704 574964947 /nfs/dbraw/zinc/96/49/47/574964947.db2.gz UJRXEJULPSQNMH-KRWDZBQOSA-N 1 2 342.439 3.053 20 30 EGEDLO C=CCn1nnn(C[NH+]2CCC(Cc3ccccc3F)CC2)c1=S ZINC000732191584 575243407 /nfs/dbraw/zinc/24/34/07/575243407.db2.gz RSUXZWLBEAAOTO-UHFFFAOYSA-N 1 2 347.463 3.046 20 30 EGEDLO C#CCOc1ccc(C[NH2+][C@H](c2nccn2C)c2ccccc2)cc1 ZINC000733324081 575327614 /nfs/dbraw/zinc/32/76/14/575327614.db2.gz HTDRVNIKVNCNDU-FQEVSTJZSA-N 1 2 331.419 3.311 20 30 EGEDLO C[NH+](C)c1ccc(N2CCC(/N=C/c3cccc(O)c3O)CC2)cc1 ZINC000741755118 576717499 /nfs/dbraw/zinc/71/74/99/576717499.db2.gz QKKCAHOFNGIDTN-KGENOOAVSA-N 1 2 339.439 3.252 20 30 EGEDLO C#CC[N@@H+](CC(=O)N(CC)C1CCCCC1)Cc1ccc(F)cc1 ZINC000744209045 576823134 /nfs/dbraw/zinc/82/31/34/576823134.db2.gz PIQQMIRLGMTHDT-UHFFFAOYSA-N 1 2 330.447 3.442 20 30 EGEDLO C#CC[N@H+](CC(=O)N(CC)C1CCCCC1)Cc1ccc(F)cc1 ZINC000744209045 576823135 /nfs/dbraw/zinc/82/31/35/576823135.db2.gz PIQQMIRLGMTHDT-UHFFFAOYSA-N 1 2 330.447 3.442 20 30 EGEDLO C#CC[NH+]1CCN(C(=O)c2ccc(OCC3CCCCC3)cc2)CC1 ZINC000744419302 576827734 /nfs/dbraw/zinc/82/77/34/576827734.db2.gz XSOHCHNPTYFKFY-UHFFFAOYSA-N 1 2 340.467 3.037 20 30 EGEDLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)O[NH+]=C(N)c1ccccc1 ZINC000015365511 1291150171 /nfs/dbraw/zinc/15/01/71/1291150171.db2.gz HOWAHWUEELJRQF-GFCCVEGCSA-N 1 2 331.803 3.313 20 30 EGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)/C=C/c2ccccc2C#N)c1C ZINC000058957987 1291910315 /nfs/dbraw/zinc/91/03/15/1291910315.db2.gz JMCSMZKEIUKHDL-MDZDMXLPSA-N 1 2 335.407 3.251 20 30 EGEDLO Cc1cc(C(N)=[NH+]OCC(=O)N(c2ccccc2)C(C)C)ccc1F ZINC000063458103 1292010318 /nfs/dbraw/zinc/01/03/18/1292010318.db2.gz AWGDURGDCBDRDZ-UHFFFAOYSA-N 1 2 343.402 3.213 20 30 EGEDLO CCCc1nc(CO[NH+]=C(N)Cc2ccc(OC)c(OC)c2)cs1 ZINC000101540886 1292966812 /nfs/dbraw/zinc/96/68/12/1292966812.db2.gz QXWJTGYQAZCFME-UHFFFAOYSA-N 1 2 349.456 3.144 20 30 EGEDLO CN(C)C(=O)c1cccc(CO[NH+]=C(N)Cc2ccc(Cl)cc2)c1 ZINC000106067089 1293047506 /nfs/dbraw/zinc/04/75/06/1293047506.db2.gz ZCYUVLAQIJLBTN-UHFFFAOYSA-N 1 2 345.830 3.073 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000120086672 1293304333 /nfs/dbraw/zinc/30/43/33/1293304333.db2.gz WGHMKHIUXWNWSR-INIZCTEOSA-N 1 2 334.847 3.291 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000120086672 1293304339 /nfs/dbraw/zinc/30/43/39/1293304339.db2.gz WGHMKHIUXWNWSR-INIZCTEOSA-N 1 2 334.847 3.291 20 30 EGEDLO N#CCOc1ccc(C[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)cc1 ZINC000188180606 1295442243 /nfs/dbraw/zinc/44/22/43/1295442243.db2.gz UZZNWDZBQNIEHF-SFHVURJKSA-N 1 2 336.370 3.330 20 30 EGEDLO C=Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000429584452 1297818867 /nfs/dbraw/zinc/81/88/67/1297818867.db2.gz DYGDBZWJFPIUCQ-UHFFFAOYSA-N 1 2 331.419 3.159 20 30 EGEDLO N#CC1(CC(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)CCCCC1 ZINC000874887581 1298148361 /nfs/dbraw/zinc/14/83/61/1298148361.db2.gz ATHCBZKWOYZQAX-KRWDZBQOSA-N 1 2 329.419 3.163 20 30 EGEDLO N#Cc1cc2ccccc2nc1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000750027148 1299325303 /nfs/dbraw/zinc/32/53/03/1299325303.db2.gz OEAMYTIGFKXLQO-UHFFFAOYSA-N 1 2 349.463 3.275 20 30 EGEDLO N#Cc1cc2ccccc2nc1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000750027148 1299325315 /nfs/dbraw/zinc/32/53/15/1299325315.db2.gz OEAMYTIGFKXLQO-UHFFFAOYSA-N 1 2 349.463 3.275 20 30 EGEDLO CCOC(=O)Nc1ccc(NC(=O)c2cccc3[nH+]ccn32)cc1C#N ZINC000752195492 1299708968 /nfs/dbraw/zinc/70/89/68/1299708968.db2.gz GEQIOGSFOWPCBI-UHFFFAOYSA-N 1 2 349.350 3.027 20 30 EGEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCOC[C@@H]1CC(C)C)c1ccccc1 ZINC000878108574 1299753012 /nfs/dbraw/zinc/75/30/12/1299753012.db2.gz WLEIHWQPONJDLC-VQTJNVASSA-N 1 2 328.456 3.174 20 30 EGEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCOC[C@@H]1CC(C)C)c1ccccc1 ZINC000878108574 1299753017 /nfs/dbraw/zinc/75/30/17/1299753017.db2.gz WLEIHWQPONJDLC-VQTJNVASSA-N 1 2 328.456 3.174 20 30 EGEDLO Cc1cc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)ccc1Oc1cccnc1 ZINC000753935952 1300045177 /nfs/dbraw/zinc/04/51/77/1300045177.db2.gz QNLVACGMANQXLC-ROUUACIJSA-N 1 2 349.438 3.376 20 30 EGEDLO Cc1ccccc1C1N=NC(=S)N1N=C1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000753954313 1300053136 /nfs/dbraw/zinc/05/31/36/1300053136.db2.gz CXCOZQBDRWITBF-LBPRGKRZSA-N 1 2 327.457 3.003 20 30 EGEDLO Cc1ccccc1C1N=NC(=S)N1N=C1C[C@H](C)[N@H+](C2CC2)C1 ZINC000753954313 1300053146 /nfs/dbraw/zinc/05/31/46/1300053146.db2.gz CXCOZQBDRWITBF-LBPRGKRZSA-N 1 2 327.457 3.003 20 30 EGEDLO Cc1[nH+]cc(CN=Nc2nc(-c3ccncc3)no2)n1-c1ccccc1 ZINC000755678147 1300378110 /nfs/dbraw/zinc/37/81/10/1300378110.db2.gz FUIVOHHPKPNGGP-UHFFFAOYSA-N 1 2 345.366 3.072 20 30 EGEDLO C#CCCCC(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000758289209 1300843488 /nfs/dbraw/zinc/84/34/88/1300843488.db2.gz VCESZRYEXUPXMR-UHFFFAOYSA-N 1 2 335.411 3.065 20 30 EGEDLO C[C@@H]1CCN(C(=O)c2ccccc2SCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000759485181 1301100479 /nfs/dbraw/zinc/10/04/79/1301100479.db2.gz YUPRQBRLYYVKJL-ZBFHGGJFSA-N 1 2 340.452 3.222 20 30 EGEDLO N#Cc1ccc(NC(=S)NCc2ccn3cc[nH+]c3c2)cc1Cl ZINC000761840007 1301553504 /nfs/dbraw/zinc/55/35/04/1301553504.db2.gz YYFHBAYMFFYOTH-UHFFFAOYSA-N 1 2 341.827 3.346 20 30 EGEDLO Cc1cc(C(N)=[NH+]OCc2ncccc2C(F)(F)F)ccc1F ZINC000762205645 1301635745 /nfs/dbraw/zinc/63/57/45/1301635745.db2.gz JASVWFRFOGIVBU-UHFFFAOYSA-N 1 2 327.281 3.385 20 30 EGEDLO CN(CC[N@H+](C)Cc1cn2ccccc2c1C#N)C(=O)OC(C)(C)C ZINC000768744819 1302968838 /nfs/dbraw/zinc/96/88/38/1302968838.db2.gz YFVSIXNRTFLAKZ-UHFFFAOYSA-N 1 2 342.443 3.110 20 30 EGEDLO CN(CC[N@@H+](C)Cc1cn2ccccc2c1C#N)C(=O)OC(C)(C)C ZINC000768744819 1302968849 /nfs/dbraw/zinc/96/88/49/1302968849.db2.gz YFVSIXNRTFLAKZ-UHFFFAOYSA-N 1 2 342.443 3.110 20 30 EGEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000769961397 1303199011 /nfs/dbraw/zinc/19/90/11/1303199011.db2.gz QMGFZKBBUUXRMT-CYBMUJFWSA-N 1 2 336.391 3.487 20 30 EGEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000769961397 1303199014 /nfs/dbraw/zinc/19/90/14/1303199014.db2.gz QMGFZKBBUUXRMT-CYBMUJFWSA-N 1 2 336.391 3.487 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000772308891 1303517051 /nfs/dbraw/zinc/51/70/51/1303517051.db2.gz KCPXVRKIXDDSJE-ZDUSSCGKSA-N 1 2 330.737 3.395 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000772308891 1303517054 /nfs/dbraw/zinc/51/70/54/1303517054.db2.gz KCPXVRKIXDDSJE-ZDUSSCGKSA-N 1 2 330.737 3.395 20 30 EGEDLO C#CC[N@@H+](Cn1c(=O)oc2ccc(F)cc21)[C@H]1CCc2ccccc21 ZINC000773295766 1303657412 /nfs/dbraw/zinc/65/74/12/1303657412.db2.gz VWLUKGCEPNUKNJ-KRWDZBQOSA-N 1 2 336.366 3.314 20 30 EGEDLO C#CC[N@H+](Cn1c(=O)oc2ccc(F)cc21)[C@H]1CCc2ccccc21 ZINC000773295766 1303657416 /nfs/dbraw/zinc/65/74/16/1303657416.db2.gz VWLUKGCEPNUKNJ-KRWDZBQOSA-N 1 2 336.366 3.314 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cccc2c1OCO2 ZINC000778160364 1304406927 /nfs/dbraw/zinc/40/69/27/1304406927.db2.gz UKENQQUDAVKRMB-UHFFFAOYSA-N 1 2 329.783 3.371 20 30 EGEDLO Cc1cc(C=NNC2=[NH+]C[C@H](C)N2)c(C)n1-c1ccc(Cl)cc1 ZINC000779793246 1304606621 /nfs/dbraw/zinc/60/66/21/1304606621.db2.gz YLHCDGZWEKGHHX-NSHDSACASA-N 1 2 329.835 3.019 20 30 EGEDLO C[NH+](C)[C@H](C(=O)OCCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000780088610 1304637703 /nfs/dbraw/zinc/63/77/03/1304637703.db2.gz SDUXSJBOJMJRIW-IBGZPJMESA-N 1 2 338.407 3.173 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)CN1C[C@H](c2ccccc2F)CC1=O ZINC000783995624 1305173220 /nfs/dbraw/zinc/17/32/20/1305173220.db2.gz XXLLJAFBMZZCOF-MRXNPFEDSA-N 1 2 342.414 3.423 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)CN1C[C@H](c2ccccc2F)CC1=O ZINC000783995624 1305173224 /nfs/dbraw/zinc/17/32/24/1305173224.db2.gz XXLLJAFBMZZCOF-MRXNPFEDSA-N 1 2 342.414 3.423 20 30 EGEDLO Cc1cccn2c(CN=Nc3nnc(-c4ccccn4)s3)c[nH+]c12 ZINC000788027299 1305847932 /nfs/dbraw/zinc/84/79/32/1305847932.db2.gz BHHFLXZUSAPCEA-UHFFFAOYSA-N 1 2 335.396 3.002 20 30 EGEDLO O=c1[nH]ccc2cc(NN=Cc3ccc(-n4cc[nH+]c4)cc3)ccc21 ZINC000789073073 1306082937 /nfs/dbraw/zinc/08/29/37/1306082937.db2.gz AOMMVGGMMIWUNT-UHFFFAOYSA-N 1 2 329.363 3.160 20 30 EGEDLO Cn1cc[nH+]c1NN=Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000790302709 1306295345 /nfs/dbraw/zinc/29/53/45/1306295345.db2.gz XNAZELHGSVISOK-CQSZACIVSA-N 1 2 334.807 3.077 20 30 EGEDLO NC(=[NH+]OCCCC1CCOCC1)c1ccc(Br)cc1 ZINC000790440607 1306327484 /nfs/dbraw/zinc/32/74/84/1306327484.db2.gz XTQSZNYCMZSVFS-UHFFFAOYSA-N 1 2 341.249 3.293 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000790709218 1308855066 /nfs/dbraw/zinc/85/50/66/1308855066.db2.gz AZSPMMGWXWLOPR-MSOLQXFVSA-N 1 2 341.455 3.413 20 30 EGEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1ccc(C(F)(F)F)nn1 ZINC000792634787 1309200759 /nfs/dbraw/zinc/20/07/59/1309200759.db2.gz JDIPXGHXWWHHDO-UHFFFAOYSA-N 1 2 335.333 3.299 20 30 EGEDLO N#Cc1c(-n2cccn2)cccc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895349138 1309293112 /nfs/dbraw/zinc/29/31/12/1309293112.db2.gz JCXBUKSLMLUEAC-UHFFFAOYSA-N 1 2 344.422 3.220 20 30 EGEDLO C#CC(C)(C)[N@H+](C)Cc1nnc(-c2ccc(Br)s2)o1 ZINC000794578895 1309550078 /nfs/dbraw/zinc/55/00/78/1309550078.db2.gz MMEJBCXUYICGOI-UHFFFAOYSA-N 1 2 340.246 3.404 20 30 EGEDLO C#CC(C)(C)[N@@H+](C)Cc1nnc(-c2ccc(Br)s2)o1 ZINC000794578895 1309550088 /nfs/dbraw/zinc/55/00/88/1309550088.db2.gz MMEJBCXUYICGOI-UHFFFAOYSA-N 1 2 340.246 3.404 20 30 EGEDLO C[C@@H]1CC[N@H+](Cn2nc(CC#N)n(C)c2=S)CC12CCCCC2 ZINC000794640713 1309562756 /nfs/dbraw/zinc/56/27/56/1309562756.db2.gz RJIAGZINSWCWOI-CQSZACIVSA-N 1 2 333.505 3.267 20 30 EGEDLO C[C@@H]1CC[N@@H+](Cn2nc(CC#N)n(C)c2=S)CC12CCCCC2 ZINC000794640713 1309562760 /nfs/dbraw/zinc/56/27/60/1309562760.db2.gz RJIAGZINSWCWOI-CQSZACIVSA-N 1 2 333.505 3.267 20 30 EGEDLO Fc1cccc(Cl)c1C[NH+]1CCC(N=Nc2cncnc2)CC1 ZINC000794976591 1309638749 /nfs/dbraw/zinc/63/87/49/1309638749.db2.gz NCODACKKXHZJBM-UHFFFAOYSA-N 1 2 333.798 3.333 20 30 EGEDLO C[NH+]1CCN(c2cccc(Cl)c2C=[NH+][N-]c2ncccc2F)CC1 ZINC000794990350 1309644375 /nfs/dbraw/zinc/64/43/75/1309644375.db2.gz MADHVDJDCRWASQ-UHFFFAOYSA-N 1 2 347.825 3.072 20 30 EGEDLO COC(=O)c1ccc(Cl)c(C[NH2+]Cc2cc(C#N)ccc2F)c1 ZINC000795939686 1309866930 /nfs/dbraw/zinc/86/69/30/1309866930.db2.gz UPWWOZTVODLMEX-UHFFFAOYSA-N 1 2 332.762 3.427 20 30 EGEDLO CC(C)(C)OC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000896502323 1309888137 /nfs/dbraw/zinc/88/81/37/1309888137.db2.gz XAGQHPGPROCCHQ-KRWDZBQOSA-N 1 2 329.444 3.447 20 30 EGEDLO CC(C)(C)OC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000896502323 1309888142 /nfs/dbraw/zinc/88/81/42/1309888142.db2.gz XAGQHPGPROCCHQ-KRWDZBQOSA-N 1 2 329.444 3.447 20 30 EGEDLO CCn1c[nH+]c2c1CCN(c1ccc(C#N)cc1Br)C2 ZINC000896659868 1309962058 /nfs/dbraw/zinc/96/20/58/1309962058.db2.gz IHBRNVCOEUHSEH-UHFFFAOYSA-N 1 2 331.217 3.100 20 30 EGEDLO Cc1ccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(C)c1 ZINC000798275693 1310333008 /nfs/dbraw/zinc/33/30/08/1310333008.db2.gz TXZKQACSXJAOCM-IRXDYDNUSA-N 1 2 329.444 3.152 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799191463 1310503360 /nfs/dbraw/zinc/50/33/60/1310503360.db2.gz LKNRZRDTCPIZKY-AWEZNQCLSA-N 1 2 340.814 3.035 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000799191463 1310503365 /nfs/dbraw/zinc/50/33/65/1310503365.db2.gz LKNRZRDTCPIZKY-AWEZNQCLSA-N 1 2 340.814 3.035 20 30 EGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000897979780 1310537873 /nfs/dbraw/zinc/53/78/73/1310537873.db2.gz KGCWVSJCYODUFD-QFBILLFUSA-N 1 2 338.455 3.094 20 30 EGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897979780 1310537876 /nfs/dbraw/zinc/53/78/76/1310537876.db2.gz KGCWVSJCYODUFD-QFBILLFUSA-N 1 2 338.455 3.094 20 30 EGEDLO C[C@H](C(=O)OC(C)(C)C)[N@H+](Cc1ccc(OCC#N)cc1)C1CC1 ZINC000839632216 1320948504 /nfs/dbraw/zinc/94/85/04/1320948504.db2.gz QZVBYTITZXHGLK-CQSZACIVSA-N 1 2 330.428 3.284 20 30 EGEDLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](Cc1ccc(OCC#N)cc1)C1CC1 ZINC000839632216 1320948509 /nfs/dbraw/zinc/94/85/09/1320948509.db2.gz QZVBYTITZXHGLK-CQSZACIVSA-N 1 2 330.428 3.284 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnc3ccc(F)cc3c2)C1 ZINC000957089928 1317181601 /nfs/dbraw/zinc/18/16/01/1317181601.db2.gz VIFRTUBSDPKZQC-UHFFFAOYSA-N 1 2 327.403 3.096 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@H]([NH2+][C@H](C)c3nc(CCCC)no3)C2)C1 ZINC001019352183 1317187231 /nfs/dbraw/zinc/18/72/31/1317187231.db2.gz GJXLRUCSTLIQOC-CABCVRRESA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnn(C3CCCCC3)c2)C1 ZINC000957104049 1317190994 /nfs/dbraw/zinc/19/09/94/1317190994.db2.gz KHEHVALRRGKALE-UHFFFAOYSA-N 1 2 330.476 3.111 20 30 EGEDLO C=C(C)CC[NH+]1CC(N(CC)C(=O)c2ccc(P(C)(C)=O)cc2)C1 ZINC000957416298 1317344548 /nfs/dbraw/zinc/34/45/48/1317344548.db2.gz SESIYHOYLLZLDN-UHFFFAOYSA-N 1 2 348.427 3.047 20 30 EGEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cnccc1NC(=O)OC(C)(C)C ZINC000903031055 1317641940 /nfs/dbraw/zinc/64/19/40/1317641940.db2.gz AXFWSBJBUVMGAA-CYBMUJFWSA-N 1 2 330.432 3.195 20 30 EGEDLO C=CC[N@H+](Cc1ccccc1)CN1C(=O)C(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000811731758 1318241632 /nfs/dbraw/zinc/24/16/32/1318241632.db2.gz IWPSHAOXCYXUCS-MSOLQXFVSA-N 1 2 328.456 3.048 20 30 EGEDLO C=CC[N@@H+](Cc1ccccc1)CN1C(=O)C(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000811731758 1318241644 /nfs/dbraw/zinc/24/16/44/1318241644.db2.gz IWPSHAOXCYXUCS-MSOLQXFVSA-N 1 2 328.456 3.048 20 30 EGEDLO C=CCCCCCCCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000811927639 1318292552 /nfs/dbraw/zinc/29/25/52/1318292552.db2.gz XIZFJEIWONOPHW-UHFFFAOYSA-N 1 2 330.476 3.440 20 30 EGEDLO O=C(C#CC1CC1)N1CCC[C@@H]2C[N@H+](C/C(Cl)=C\Cl)CC[C@@H]21 ZINC001021581991 1318425555 /nfs/dbraw/zinc/42/55/55/1318425555.db2.gz SPCCBQNSYTYVRY-AMKQFNALSA-N 1 2 341.282 3.032 20 30 EGEDLO O=C(C#CC1CC1)N1CCC[C@@H]2C[N@@H+](C/C(Cl)=C\Cl)CC[C@@H]21 ZINC001021581991 1318425561 /nfs/dbraw/zinc/42/55/61/1318425561.db2.gz SPCCBQNSYTYVRY-AMKQFNALSA-N 1 2 341.282 3.032 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)c1ccoc1 ZINC000960425720 1318548334 /nfs/dbraw/zinc/54/83/34/1318548334.db2.gz XPHKXWQTTQPTFK-SFHVURJKSA-N 1 2 341.386 3.027 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)c1ccoc1 ZINC000960425720 1318548338 /nfs/dbraw/zinc/54/83/38/1318548338.db2.gz XPHKXWQTTQPTFK-SFHVURJKSA-N 1 2 341.386 3.027 20 30 EGEDLO CCCCc1nc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@H](C)C#N)cs1 ZINC000960501265 1318609105 /nfs/dbraw/zinc/60/91/05/1318609105.db2.gz KLQDUYHQORJDPM-ZBFHGGJFSA-N 1 2 348.516 3.068 20 30 EGEDLO CCCCc1nc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@H](C)C#N)cs1 ZINC000960501265 1318609113 /nfs/dbraw/zinc/60/91/13/1318609113.db2.gz KLQDUYHQORJDPM-ZBFHGGJFSA-N 1 2 348.516 3.068 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nocc1C ZINC000960647514 1318767661 /nfs/dbraw/zinc/76/76/61/1318767661.db2.gz JATYPVIIRBWVKD-AWEZNQCLSA-N 1 2 339.867 3.185 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1nocc1C ZINC000960647514 1318767666 /nfs/dbraw/zinc/76/76/66/1318767666.db2.gz JATYPVIIRBWVKD-AWEZNQCLSA-N 1 2 339.867 3.185 20 30 EGEDLO CC1(C)C[N@H+](C[C@H](O)c2ccc(C#N)cc2)C[C@@](C)(C(F)(F)F)O1 ZINC000815147866 1318914389 /nfs/dbraw/zinc/91/43/89/1318914389.db2.gz HGRMPRUAANHFBC-HOCLYGCPSA-N 1 2 342.361 3.023 20 30 EGEDLO CC1(C)C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C[C@@](C)(C(F)(F)F)O1 ZINC000815147866 1318914397 /nfs/dbraw/zinc/91/43/97/1318914397.db2.gz HGRMPRUAANHFBC-HOCLYGCPSA-N 1 2 342.361 3.023 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ncc(C)s1 ZINC000960824863 1318950721 /nfs/dbraw/zinc/95/07/21/1318950721.db2.gz CXTFHXIILJQVHC-QAPCUYQASA-N 1 2 335.517 3.477 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ncc(C)s1 ZINC000960824863 1318950731 /nfs/dbraw/zinc/95/07/31/1318950731.db2.gz CXTFHXIILJQVHC-QAPCUYQASA-N 1 2 335.517 3.477 20 30 EGEDLO CN(CCC#N)c1ccc(C=[NH+]Nc2nc3ccccc3n2C)cc1 ZINC000915971506 1319575559 /nfs/dbraw/zinc/57/55/59/1319575559.db2.gz YWNFULACTROJDS-UHFFFAOYSA-N 1 2 332.411 3.369 20 30 EGEDLO CC[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1cccc(C#N)c1O ZINC000822658683 1320109536 /nfs/dbraw/zinc/10/95/36/1320109536.db2.gz OWYBMYZEAFIISD-MRXNPFEDSA-N 1 2 342.468 3.430 20 30 EGEDLO C#C[C@H](NC(=O)N(C)CCCc1[nH+]ccn1CCC)c1ccccc1 ZINC000827234723 1320436934 /nfs/dbraw/zinc/43/69/34/1320436934.db2.gz FFMFZRMKVCUNKI-SFHVURJKSA-N 1 2 338.455 3.242 20 30 EGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C#CC(C)(C)C)C[C@@H](C)O1 ZINC000837349866 1320601736 /nfs/dbraw/zinc/60/17/36/1320601736.db2.gz QEKMZSXUDSSOQT-HZPDHXFCSA-N 1 2 328.456 3.284 20 30 EGEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1)C(=O)OC ZINC000839167115 1320883633 /nfs/dbraw/zinc/88/36/33/1320883633.db2.gz CCNNQKOQUFBDGU-IMJJTQAJSA-N 1 2 339.357 3.496 20 30 EGEDLO C=c1[nH]c(=O)[nH]c(=O)c1=C(C)[NH2+]Nc1ccc(Cl)c(Cl)c1 ZINC000839383369 1320910691 /nfs/dbraw/zinc/91/06/91/1320910691.db2.gz IZSYWAOROWBBRE-UHFFFAOYSA-N 1 2 327.171 3.339 20 30 EGEDLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)s1 ZINC000840724934 1321135946 /nfs/dbraw/zinc/13/59/46/1321135946.db2.gz CSAYRFMEMPHVJN-NEPJUHHUSA-N 1 2 345.424 3.244 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(/C=C/C(=O)OC)o1)Cc1ccc(CO)o1 ZINC000848911731 1322042747 /nfs/dbraw/zinc/04/27/47/1322042747.db2.gz XSRBCRJZKHXOQY-CMDGGOBGSA-N 1 2 345.395 3.129 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(/C=C/C(=O)OC)o1)Cc1ccc(CO)o1 ZINC000848911731 1322042751 /nfs/dbraw/zinc/04/27/51/1322042751.db2.gz XSRBCRJZKHXOQY-CMDGGOBGSA-N 1 2 345.395 3.129 20 30 EGEDLO C[C@H](CC(C)(C)C#N)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000851209889 1322355095 /nfs/dbraw/zinc/35/50/95/1322355095.db2.gz KUBOIYYHQSPLRJ-GFCCVEGCSA-N 1 2 342.355 3.266 20 30 EGEDLO C=CC[N@H+](CC(=O)c1cc(C)n(-c2cc(C)on2)c1C)[C@H](C)COC ZINC000852357391 1323181979 /nfs/dbraw/zinc/18/19/79/1323181979.db2.gz AAZRGIHSDUTMDJ-CQSZACIVSA-N 1 2 345.443 3.096 20 30 EGEDLO C=CC[N@@H+](CC(=O)c1cc(C)n(-c2cc(C)on2)c1C)[C@H](C)COC ZINC000852357391 1323181982 /nfs/dbraw/zinc/18/19/82/1323181982.db2.gz AAZRGIHSDUTMDJ-CQSZACIVSA-N 1 2 345.443 3.096 20 30 EGEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852757969 1323238197 /nfs/dbraw/zinc/23/81/97/1323238197.db2.gz SRTLECRVMWQWHD-JMSVASOKSA-N 1 2 339.361 3.008 20 30 EGEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852757969 1323238201 /nfs/dbraw/zinc/23/82/01/1323238201.db2.gz SRTLECRVMWQWHD-JMSVASOKSA-N 1 2 339.361 3.008 20 30 EGEDLO O=C(NC[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1)c1cccs1 ZINC001024315899 1323299812 /nfs/dbraw/zinc/29/98/12/1323299812.db2.gz DDDMENQIHFAHDC-GOSISDBHSA-N 1 2 338.476 3.384 20 30 EGEDLO O=C(NC[C@H]1CCCC[N@H+]1CC#Cc1ccccc1)c1cccs1 ZINC001024315899 1323299815 /nfs/dbraw/zinc/29/98/15/1323299815.db2.gz DDDMENQIHFAHDC-GOSISDBHSA-N 1 2 338.476 3.384 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn2c1CCCC2 ZINC001024484179 1323438667 /nfs/dbraw/zinc/43/86/67/1323438667.db2.gz MWPPOCACYJPVIE-HNNXBMFYSA-N 1 2 335.879 3.161 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccn2c1CCCC2 ZINC001024484179 1323438674 /nfs/dbraw/zinc/43/86/74/1323438674.db2.gz MWPPOCACYJPVIE-HNNXBMFYSA-N 1 2 335.879 3.161 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(C)n(CC)c1C ZINC001024537343 1323478710 /nfs/dbraw/zinc/47/87/10/1323478710.db2.gz DUJVKDXUSYREBY-INIZCTEOSA-N 1 2 337.895 3.462 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C)n(CC)c1C ZINC001024537343 1323478715 /nfs/dbraw/zinc/47/87/15/1323478715.db2.gz DUJVKDXUSYREBY-INIZCTEOSA-N 1 2 337.895 3.462 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ncc(C)o2)CC1 ZINC001024633931 1323560099 /nfs/dbraw/zinc/56/00/99/1323560099.db2.gz OVTSPPFXZHJBCV-KRWDZBQOSA-N 1 2 331.460 3.200 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ncc(C)o2)CC1 ZINC001024633931 1323560104 /nfs/dbraw/zinc/56/01/04/1323560104.db2.gz OVTSPPFXZHJBCV-KRWDZBQOSA-N 1 2 331.460 3.200 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1Cc2c(cccc2C)O1 ZINC001024764962 1323663832 /nfs/dbraw/zinc/66/38/32/1323663832.db2.gz YCEFPFPJMYTKFK-QAPCUYQASA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1Cc2c(cccc2C)O1 ZINC001024764962 1323663836 /nfs/dbraw/zinc/66/38/36/1323663836.db2.gz YCEFPFPJMYTKFK-QAPCUYQASA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(Cl)cn1CC ZINC001024804726 1323707706 /nfs/dbraw/zinc/70/77/06/1323707706.db2.gz YUNOQJZAGXYYGJ-AWEZNQCLSA-N 1 2 344.286 3.498 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(Cl)cn1CC ZINC001024804726 1323707711 /nfs/dbraw/zinc/70/77/11/1323707711.db2.gz YUNOQJZAGXYYGJ-AWEZNQCLSA-N 1 2 344.286 3.498 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1csnn1 ZINC001025259050 1324068658 /nfs/dbraw/zinc/06/86/58/1324068658.db2.gz NBMWJTORQVTENO-HZPDHXFCSA-N 1 2 348.516 3.096 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCCC[C@@H]1[C@H]1CCC[N@H+]1Cc1csnn1 ZINC001025259050 1324068666 /nfs/dbraw/zinc/06/86/66/1324068666.db2.gz NBMWJTORQVTENO-HZPDHXFCSA-N 1 2 348.516 3.096 20 30 EGEDLO C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C1CCCC1 ZINC000964624774 1325584787 /nfs/dbraw/zinc/58/47/87/1325584787.db2.gz YOJVASYGIFQOQC-IFXJQAMLSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C1CCCC1 ZINC000964624774 1325584796 /nfs/dbraw/zinc/58/47/96/1325584796.db2.gz YOJVASYGIFQOQC-IFXJQAMLSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)[C@H](C)c2ncccn2)C1 ZINC001027519692 1327792145 /nfs/dbraw/zinc/79/21/45/1327792145.db2.gz SNODGOBYLGGKDN-CVEARBPZSA-N 1 2 330.476 3.063 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([N@H+](C)[C@H](C)c2ncccn2)C1 ZINC001027519692 1327792153 /nfs/dbraw/zinc/79/21/53/1327792153.db2.gz SNODGOBYLGGKDN-CVEARBPZSA-N 1 2 330.476 3.063 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)C2(CC)CCC2)C1 ZINC001027533437 1327821810 /nfs/dbraw/zinc/82/18/10/1327821810.db2.gz KVBAFNPBCWNUCM-AWEZNQCLSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)C2(CC)CCC2)C1 ZINC001027533437 1327821820 /nfs/dbraw/zinc/82/18/20/1327821820.db2.gz KVBAFNPBCWNUCM-AWEZNQCLSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC2(C)C)C1 ZINC001027536275 1327828501 /nfs/dbraw/zinc/82/85/01/1327828501.db2.gz PPXGUQDXIDBZDQ-ZIAGYGMSSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC2(C)C)C1 ZINC001027536275 1327828508 /nfs/dbraw/zinc/82/85/08/1327828508.db2.gz PPXGUQDXIDBZDQ-ZIAGYGMSSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2nsc3ccccc32)C1 ZINC000966296969 1328257681 /nfs/dbraw/zinc/25/76/81/1328257681.db2.gz KQWVSBTYDNFYBV-RISCZKNCSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2nsc3ccccc32)C1 ZINC000966296969 1328257686 /nfs/dbraw/zinc/25/76/86/1328257686.db2.gz KQWVSBTYDNFYBV-RISCZKNCSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1nc(C(C)C)oc1C ZINC001027882391 1328349091 /nfs/dbraw/zinc/34/90/91/1328349091.db2.gz NLKGNCXDRNAQOH-ZDUSSCGKSA-N 1 2 325.840 3.053 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1nc(C(C)C)oc1C ZINC001027882391 1328349092 /nfs/dbraw/zinc/34/90/92/1328349092.db2.gz NLKGNCXDRNAQOH-ZDUSSCGKSA-N 1 2 325.840 3.053 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2nccc(C)c2c1 ZINC001027906834 1328378362 /nfs/dbraw/zinc/37/83/62/1328378362.db2.gz SDHDEGGUJDKSMD-MRXNPFEDSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2nccc(C)c2c1 ZINC001027906834 1328378368 /nfs/dbraw/zinc/37/83/68/1328378368.db2.gz SDHDEGGUJDKSMD-MRXNPFEDSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2ccncc2)o1 ZINC001027929265 1328407901 /nfs/dbraw/zinc/40/79/01/1328407901.db2.gz CVRRDKSNHBXDCP-HNNXBMFYSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2ccncc2)o1 ZINC001027929265 1328407903 /nfs/dbraw/zinc/40/79/03/1328407903.db2.gz CVRRDKSNHBXDCP-HNNXBMFYSA-N 1 2 345.830 3.288 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000862324435 1329475547 /nfs/dbraw/zinc/47/55/47/1329475547.db2.gz MMAKQYSCFXUIEW-NVXWUHKLSA-N 1 2 340.427 3.017 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(N2CCCOC2=O)CC1 ZINC000933618667 1329906543 /nfs/dbraw/zinc/90/65/43/1329906543.db2.gz RKQCLQUBNGSSLB-UHFFFAOYSA-N 1 2 333.819 3.018 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C2CCCC2)C(C)(C)C1 ZINC000940517701 1331097240 /nfs/dbraw/zinc/09/72/40/1331097240.db2.gz WSSMQJRCKZNNHN-CQSZACIVSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C2CCCC2)C(C)(C)C1 ZINC000940517701 1331097245 /nfs/dbraw/zinc/09/72/45/1331097245.db2.gz WSSMQJRCKZNNHN-CQSZACIVSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2cccs2)C[C@H]1C ZINC000947018171 1332975817 /nfs/dbraw/zinc/97/58/17/1332975817.db2.gz UNAOLYKFAVLTGW-VXGBXAGGSA-N 1 2 343.290 3.239 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2cccs2)C[C@H]1C ZINC000947018171 1332975821 /nfs/dbraw/zinc/97/58/21/1332975821.db2.gz UNAOLYKFAVLTGW-VXGBXAGGSA-N 1 2 343.290 3.239 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CC2CCC2)C[C@H]1C ZINC000947162903 1333030604 /nfs/dbraw/zinc/03/06/04/1333030604.db2.gz NKQCFUNFZAKLBA-OCCSQVGLSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CC2CCC2)C[C@H]1C ZINC000947162903 1333030608 /nfs/dbraw/zinc/03/06/08/1333030608.db2.gz NKQCFUNFZAKLBA-OCCSQVGLSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)CC2CCC2)C[C@@H]1C ZINC000947162901 1333031074 /nfs/dbraw/zinc/03/10/74/1333031074.db2.gz NKQCFUNFZAKLBA-GXTWGEPZSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)CC2CCC2)C[C@@H]1C ZINC000947162901 1333031077 /nfs/dbraw/zinc/03/10/77/1333031077.db2.gz NKQCFUNFZAKLBA-GXTWGEPZSA-N 1 2 329.282 3.054 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)CC2CCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947161358 1333029386 /nfs/dbraw/zinc/02/93/86/1333029386.db2.gz DRTOSOIWNNDQRQ-AUUYWEPGSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)CC2CCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947161358 1333029391 /nfs/dbraw/zinc/02/93/91/1333029391.db2.gz DRTOSOIWNNDQRQ-AUUYWEPGSA-N 1 2 343.446 3.357 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(C)c(F)c1 ZINC000948936031 1333740741 /nfs/dbraw/zinc/74/07/41/1333740741.db2.gz LLDNDMYADGNCGU-FQEVSTJZSA-N 1 2 336.410 3.097 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(C)c(F)c1 ZINC000948936031 1333740742 /nfs/dbraw/zinc/74/07/42/1333740742.db2.gz LLDNDMYADGNCGU-FQEVSTJZSA-N 1 2 336.410 3.097 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCCC1(F)F ZINC000948940281 1333741665 /nfs/dbraw/zinc/74/16/65/1333741665.db2.gz GPYTUQUUGYDREO-MSOLQXFVSA-N 1 2 346.421 3.161 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCCC1(F)F ZINC000948940281 1333741670 /nfs/dbraw/zinc/74/16/70/1333741670.db2.gz GPYTUQUUGYDREO-MSOLQXFVSA-N 1 2 346.421 3.161 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC2(CC1)C[N@H+](C/C=C/Cl)CCO2 ZINC000949433348 1333845679 /nfs/dbraw/zinc/84/56/79/1333845679.db2.gz PQGRANVVDZLKHM-VMPITWQZSA-N 1 2 340.895 3.035 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC2(CC1)C[N@@H+](C/C=C/Cl)CCO2 ZINC000949433348 1333845681 /nfs/dbraw/zinc/84/56/81/1333845681.db2.gz PQGRANVVDZLKHM-VMPITWQZSA-N 1 2 340.895 3.035 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](CCOc2cccc(CC)c2)CC1 ZINC000950051496 1334003004 /nfs/dbraw/zinc/00/30/04/1334003004.db2.gz NSFNIWXATPPWRC-NRFANRHFSA-N 1 2 344.499 3.374 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnc3c(F)cccc3c2)C1 ZINC000950894429 1334148141 /nfs/dbraw/zinc/14/81/41/1334148141.db2.gz QQNWEYPFOWXITD-UHFFFAOYSA-N 1 2 327.403 3.096 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@@H](C)C1 ZINC001063770076 1351997390 /nfs/dbraw/zinc/99/73/90/1351997390.db2.gz OHBKGAOBAYVSHQ-SMDDNHRTSA-N 1 2 336.867 3.213 20 30 EGEDLO Cc1coc(C(=O)N[C@H]2C[N@@H+](Cc3ccc(C#N)s3)CC[C@@H]2C)c1 ZINC000967894230 1335825726 /nfs/dbraw/zinc/82/57/26/1335825726.db2.gz IJHOBBWNWUCTHC-BBRMVZONSA-N 1 2 343.452 3.162 20 30 EGEDLO Cc1coc(C(=O)N[C@H]2C[N@H+](Cc3ccc(C#N)s3)CC[C@@H]2C)c1 ZINC000967894230 1335825730 /nfs/dbraw/zinc/82/57/30/1335825730.db2.gz IJHOBBWNWUCTHC-BBRMVZONSA-N 1 2 343.452 3.162 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3nocc3C)CC[C@@H]2C)CC1 ZINC000968211780 1335873273 /nfs/dbraw/zinc/87/32/73/1335873273.db2.gz LKKLQLLKVAXPLL-WMLDXEAASA-N 1 2 331.460 3.056 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3nocc3C)CC[C@@H]2C)CC1 ZINC000968211780 1335873279 /nfs/dbraw/zinc/87/32/79/1335873279.db2.gz LKKLQLLKVAXPLL-WMLDXEAASA-N 1 2 331.460 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC000968332891 1335891949 /nfs/dbraw/zinc/89/19/49/1335891949.db2.gz YYTLGPANESWPCD-BLLLJJGKSA-N 1 2 335.879 3.475 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC000968332891 1335891952 /nfs/dbraw/zinc/89/19/52/1335891952.db2.gz YYTLGPANESWPCD-BLLLJJGKSA-N 1 2 335.879 3.475 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000968408464 1335923538 /nfs/dbraw/zinc/92/35/38/1335923538.db2.gz CTQCEASYUTYGNC-MLGOLLRUSA-N 1 2 346.862 3.064 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000968408464 1335923541 /nfs/dbraw/zinc/92/35/41/1335923541.db2.gz CTQCEASYUTYGNC-MLGOLLRUSA-N 1 2 346.862 3.064 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc3c(C)cccn3c2)C1 ZINC000968540485 1335956746 /nfs/dbraw/zinc/95/67/46/1335956746.db2.gz VOBHDDPBWLVUDO-CXAGYDPISA-N 1 2 345.874 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc3c(C)cccn3c2)C1 ZINC000968540485 1335956751 /nfs/dbraw/zinc/95/67/51/1335956751.db2.gz VOBHDDPBWLVUDO-CXAGYDPISA-N 1 2 345.874 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3ccccc3n2)C1 ZINC000968578947 1335968691 /nfs/dbraw/zinc/96/86/91/1335968691.db2.gz KHBCPTVENREYCW-SCLBCKFNSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3ccccc3n2)C1 ZINC000968578947 1335968693 /nfs/dbraw/zinc/96/86/93/1335968693.db2.gz KHBCPTVENREYCW-SCLBCKFNSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1oc(C)nc1C ZINC000968796313 1336054311 /nfs/dbraw/zinc/05/43/11/1336054311.db2.gz ITQNJODRTRGYPN-AWEZNQCLSA-N 1 2 325.840 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1oc(C)nc1C ZINC000968796313 1336054315 /nfs/dbraw/zinc/05/43/15/1336054315.db2.gz ITQNJODRTRGYPN-AWEZNQCLSA-N 1 2 325.840 3.018 20 30 EGEDLO C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000968985070 1336109334 /nfs/dbraw/zinc/10/93/34/1336109334.db2.gz NRHRSUSDPWKRHD-MDASCCDHSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000968985070 1336109335 /nfs/dbraw/zinc/10/93/35/1336109335.db2.gz NRHRSUSDPWKRHD-MDASCCDHSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1cnc(CC)s1 ZINC000969164832 1336169386 /nfs/dbraw/zinc/16/93/86/1336169386.db2.gz OQRVMALFUOXQLJ-CYBMUJFWSA-N 1 2 341.908 3.432 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cnc(CC)s1 ZINC000969164832 1336169388 /nfs/dbraw/zinc/16/93/88/1336169388.db2.gz OQRVMALFUOXQLJ-CYBMUJFWSA-N 1 2 341.908 3.432 20 30 EGEDLO Cc1cc(C(=O)N[C@H](C)C2C[NH+](Cc3ccccc3C#N)C2)c(C)o1 ZINC000969285216 1336193247 /nfs/dbraw/zinc/19/32/47/1336193247.db2.gz LLJWACMACQNLJV-CQSZACIVSA-N 1 2 337.423 3.018 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2coc3ccc(OC)cc32)C1 ZINC000970127377 1336282529 /nfs/dbraw/zinc/28/25/29/1336282529.db2.gz OAVJEFSSVBAAJE-GFCCVEGCSA-N 1 2 348.830 3.244 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC000970351851 1336297765 /nfs/dbraw/zinc/29/77/65/1336297765.db2.gz QIWSPKWEUASQSF-JTQLQIEISA-N 1 2 331.218 3.282 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(C(F)F)cc2)C1 ZINC000970593671 1336325871 /nfs/dbraw/zinc/32/58/71/1336325871.db2.gz OQSMUWABKFFAKY-NSHDSACASA-N 1 2 328.790 3.427 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2scnc2C(F)F)CC1 ZINC001005693416 1336394072 /nfs/dbraw/zinc/39/40/72/1336394072.db2.gz DTFTVKSJDNRGIQ-UHFFFAOYSA-N 1 2 349.834 3.370 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)c(C)o1 ZINC001006703954 1336559485 /nfs/dbraw/zinc/55/94/85/1336559485.db2.gz NISBESOZARWRQV-GOSISDBHSA-N 1 2 337.423 3.163 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)c(C)o1 ZINC001006703954 1336559487 /nfs/dbraw/zinc/55/94/87/1336559487.db2.gz NISBESOZARWRQV-GOSISDBHSA-N 1 2 337.423 3.163 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CC=CCC3)C2)c1 ZINC001006725554 1336564614 /nfs/dbraw/zinc/56/46/14/1336564614.db2.gz XQZRBUXZFABCIA-AEFFLSMTSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3CC=CCC3)C2)c1 ZINC001006725554 1336564618 /nfs/dbraw/zinc/56/46/18/1336564618.db2.gz XQZRBUXZFABCIA-AEFFLSMTSA-N 1 2 341.430 3.134 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@@H+](CC=C(Cl)Cl)C1 ZINC001007501852 1336659613 /nfs/dbraw/zinc/65/96/13/1336659613.db2.gz CNTSKVVUHBYWOK-CYBMUJFWSA-N 1 2 342.270 3.187 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@H+](CC=C(Cl)Cl)C1 ZINC001007501852 1336659614 /nfs/dbraw/zinc/65/96/14/1336659614.db2.gz CNTSKVVUHBYWOK-CYBMUJFWSA-N 1 2 342.270 3.187 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001007645586 1336682949 /nfs/dbraw/zinc/68/29/49/1336682949.db2.gz VQYKBIKQDZIMBT-WMZOPIPTSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001007645586 1336682952 /nfs/dbraw/zinc/68/29/52/1336682952.db2.gz VQYKBIKQDZIMBT-WMZOPIPTSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2([C@@H]3CCCCO3)CCC2)C1 ZINC001007923566 1336733480 /nfs/dbraw/zinc/73/34/80/1336733480.db2.gz ZXERRBIPCULWMB-HOTGVXAUSA-N 1 2 340.895 3.059 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2([C@@H]3CCCCO3)CCC2)C1 ZINC001007923566 1336733484 /nfs/dbraw/zinc/73/34/84/1336733484.db2.gz ZXERRBIPCULWMB-HOTGVXAUSA-N 1 2 340.895 3.059 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001008200615 1336791116 /nfs/dbraw/zinc/79/11/16/1336791116.db2.gz GASHLTXRGZTQAB-YLJYHZDGSA-N 1 2 337.467 3.385 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001008200615 1336791118 /nfs/dbraw/zinc/79/11/18/1336791118.db2.gz GASHLTXRGZTQAB-YLJYHZDGSA-N 1 2 337.467 3.385 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc(F)c3ccncc23)C1 ZINC001008266254 1336809651 /nfs/dbraw/zinc/80/96/51/1336809651.db2.gz AUSXVNSQDQIKRC-ZDUSSCGKSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(F)c3ccncc23)C1 ZINC001008266254 1336809653 /nfs/dbraw/zinc/80/96/53/1336809653.db2.gz AUSXVNSQDQIKRC-ZDUSSCGKSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3n2C)C1 ZINC001008342987 1336827966 /nfs/dbraw/zinc/82/79/66/1336827966.db2.gz ZTQXKPIVZAVCKH-HNNXBMFYSA-N 1 2 331.847 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cc3ccccc3n2C)C1 ZINC001008342987 1336827967 /nfs/dbraw/zinc/82/79/67/1336827967.db2.gz ZTQXKPIVZAVCKH-HNNXBMFYSA-N 1 2 331.847 3.125 20 30 EGEDLO CC1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(C#N)ccc3F)C2)CC=CC1 ZINC001008432464 1336851642 /nfs/dbraw/zinc/85/16/42/1336851642.db2.gz ZWNSKDMYPILPMB-QGZVFWFLSA-N 1 2 341.430 3.134 20 30 EGEDLO CC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)CC=CC1 ZINC001008432464 1336851646 /nfs/dbraw/zinc/85/16/46/1336851646.db2.gz ZWNSKDMYPILPMB-QGZVFWFLSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC001009745517 1337068050 /nfs/dbraw/zinc/06/80/50/1337068050.db2.gz UANHBXFXIOFWAQ-ZDUSSCGKSA-N 1 2 335.810 3.254 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC001009745517 1337068052 /nfs/dbraw/zinc/06/80/52/1337068052.db2.gz UANHBXFXIOFWAQ-ZDUSSCGKSA-N 1 2 335.810 3.254 20 30 EGEDLO CC1(C)C(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)C1(C)C ZINC001010470910 1337202704 /nfs/dbraw/zinc/20/27/04/1337202704.db2.gz MEIDMIIDBGEVLG-OAHLLOKOSA-N 1 2 343.446 3.070 20 30 EGEDLO CC1(C)C(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)C1(C)C ZINC001010470910 1337202706 /nfs/dbraw/zinc/20/27/06/1337202706.db2.gz MEIDMIIDBGEVLG-OAHLLOKOSA-N 1 2 343.446 3.070 20 30 EGEDLO Cc1sccc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001014363395 1337753022 /nfs/dbraw/zinc/75/30/22/1337753022.db2.gz QRKOOVCDNXFWSO-KRWDZBQOSA-N 1 2 342.439 3.051 20 30 EGEDLO Cc1sccc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001014363395 1337753023 /nfs/dbraw/zinc/75/30/23/1337753023.db2.gz QRKOOVCDNXFWSO-KRWDZBQOSA-N 1 2 342.439 3.051 20 30 EGEDLO Cc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1F ZINC001014536412 1337812831 /nfs/dbraw/zinc/81/28/31/1337812831.db2.gz ZUWIUYBKQSRZHA-KRWDZBQOSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1F ZINC001014536412 1337812834 /nfs/dbraw/zinc/81/28/34/1337812834.db2.gz ZUWIUYBKQSRZHA-KRWDZBQOSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)s1 ZINC001014591774 1337839918 /nfs/dbraw/zinc/83/99/18/1337839918.db2.gz WMHHXVPPBGUVML-ZDUSSCGKSA-N 1 2 345.493 3.302 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)s1 ZINC001014591774 1337839921 /nfs/dbraw/zinc/83/99/21/1337839921.db2.gz WMHHXVPPBGUVML-ZDUSSCGKSA-N 1 2 345.493 3.302 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2cscc2Cl)C1 ZINC001014843847 1337922071 /nfs/dbraw/zinc/92/20/71/1337922071.db2.gz BENRLWWCIPSSHK-CQSZACIVSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2cscc2Cl)C1 ZINC001014843847 1337922075 /nfs/dbraw/zinc/92/20/75/1337922075.db2.gz BENRLWWCIPSSHK-CQSZACIVSA-N 1 2 345.855 3.277 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2c(C)cccc2Cl)C1 ZINC001015096189 1338017031 /nfs/dbraw/zinc/01/70/31/1338017031.db2.gz HKJCCVYEZCCFRP-CYBMUJFWSA-N 1 2 327.255 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2c(C)cccc2Cl)C1 ZINC001015096189 1338017032 /nfs/dbraw/zinc/01/70/32/1338017032.db2.gz HKJCCVYEZCCFRP-CYBMUJFWSA-N 1 2 327.255 3.134 20 30 EGEDLO CC(C)c1ccoc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001015601481 1338203365 /nfs/dbraw/zinc/20/33/65/1338203365.db2.gz PLWIAZODASXPCC-GOSISDBHSA-N 1 2 336.435 3.259 20 30 EGEDLO CC(C)c1ccoc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001015601481 1338203367 /nfs/dbraw/zinc/20/33/67/1338203367.db2.gz PLWIAZODASXPCC-GOSISDBHSA-N 1 2 336.435 3.259 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001015659720 1338238760 /nfs/dbraw/zinc/23/87/60/1338238760.db2.gz IYGNTFNFGLPWRO-SFHVURJKSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001015659720 1338238763 /nfs/dbraw/zinc/23/87/63/1338238763.db2.gz IYGNTFNFGLPWRO-SFHVURJKSA-N 1 2 341.430 3.134 20 30 EGEDLO C=Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1 ZINC001015739751 1338281606 /nfs/dbraw/zinc/28/16/06/1338281606.db2.gz HIGXUSZPBCJQDI-HXUWFJFHSA-N 1 2 331.419 3.206 20 30 EGEDLO C=Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cc1 ZINC001015739751 1338281610 /nfs/dbraw/zinc/28/16/10/1338281610.db2.gz HIGXUSZPBCJQDI-HXUWFJFHSA-N 1 2 331.419 3.206 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)c(F)c1 ZINC001015750368 1338288840 /nfs/dbraw/zinc/28/88/40/1338288840.db2.gz BHTTZPPLIGZYJV-ZDUSSCGKSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)c(F)c1 ZINC001015750368 1338288841 /nfs/dbraw/zinc/28/88/41/1338288841.db2.gz BHTTZPPLIGZYJV-ZDUSSCGKSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)cs1 ZINC001015851954 1338333811 /nfs/dbraw/zinc/33/38/11/1338333811.db2.gz NRAHKFJOQSSREM-GOSISDBHSA-N 1 2 342.439 3.051 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)cs1 ZINC001015851954 1338333813 /nfs/dbraw/zinc/33/38/13/1338333813.db2.gz NRAHKFJOQSSREM-GOSISDBHSA-N 1 2 342.439 3.051 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCCc3ccccc32)C1 ZINC001016058998 1338435554 /nfs/dbraw/zinc/43/55/54/1338435554.db2.gz SEXMAGVLQLRVTN-SJORKVTESA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCCc3ccccc32)C1 ZINC001016058998 1338435556 /nfs/dbraw/zinc/43/55/56/1338435556.db2.gz SEXMAGVLQLRVTN-SJORKVTESA-N 1 2 332.875 3.440 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC001016124269 1338468804 /nfs/dbraw/zinc/46/88/04/1338468804.db2.gz UDDPPFVQYVPUIF-CQSZACIVSA-N 1 2 345.349 3.093 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC001016124269 1338468806 /nfs/dbraw/zinc/46/88/06/1338468806.db2.gz UDDPPFVQYVPUIF-CQSZACIVSA-N 1 2 345.349 3.093 20 30 EGEDLO Cc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1C ZINC001016151741 1338478355 /nfs/dbraw/zinc/47/83/55/1338478355.db2.gz BEADYGMOGUYYKP-LJQANCHMSA-N 1 2 333.435 3.179 20 30 EGEDLO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1C ZINC001016151741 1338478359 /nfs/dbraw/zinc/47/83/59/1338478359.db2.gz BEADYGMOGUYYKP-LJQANCHMSA-N 1 2 333.435 3.179 20 30 EGEDLO CCc1ccsc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001016327157 1338550899 /nfs/dbraw/zinc/55/08/99/1338550899.db2.gz ITLLXIKUYYHWHG-SFHVURJKSA-N 1 2 338.476 3.166 20 30 EGEDLO CCc1ccsc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001016327157 1338550905 /nfs/dbraw/zinc/55/09/05/1338550905.db2.gz ITLLXIKUYYHWHG-SFHVURJKSA-N 1 2 338.476 3.166 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3ccccc3n2CC)C1 ZINC001016331516 1338553181 /nfs/dbraw/zinc/55/31/81/1338553181.db2.gz JURMBWNPJLSUHZ-HNNXBMFYSA-N 1 2 331.847 3.218 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3ccccc3n2CC)C1 ZINC001016331516 1338553184 /nfs/dbraw/zinc/55/31/84/1338553184.db2.gz JURMBWNPJLSUHZ-HNNXBMFYSA-N 1 2 331.847 3.218 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCc3ccccc32)C1 ZINC001016352972 1338561474 /nfs/dbraw/zinc/56/14/74/1338561474.db2.gz HRZWRJFPLGHFDV-FUHWJXTLSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCc3ccccc32)C1 ZINC001016352972 1338561478 /nfs/dbraw/zinc/56/14/78/1338561478.db2.gz HRZWRJFPLGHFDV-FUHWJXTLSA-N 1 2 332.875 3.440 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2cccc3c2CCC3)C1 ZINC001016382918 1338583863 /nfs/dbraw/zinc/58/38/63/1338583863.db2.gz XVBLGRRYHFIVJT-LJQANCHMSA-N 1 2 345.446 3.051 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2cccc3c2CCC3)C1 ZINC001016382918 1338583865 /nfs/dbraw/zinc/58/38/65/1338583865.db2.gz XVBLGRRYHFIVJT-LJQANCHMSA-N 1 2 345.446 3.051 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CCc3ccccc3C2)C1 ZINC001016449006 1338605850 /nfs/dbraw/zinc/60/58/50/1338605850.db2.gz YDFYMNRUQDLVDN-HKUYNNGSSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CCc3ccccc3C2)C1 ZINC001016449006 1338605855 /nfs/dbraw/zinc/60/58/55/1338605855.db2.gz YDFYMNRUQDLVDN-HKUYNNGSSA-N 1 2 332.875 3.125 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC001017784441 1339420429 /nfs/dbraw/zinc/42/04/29/1339420429.db2.gz HOEKBIYQAYJXOF-IYBDPMFKSA-N 1 2 341.842 3.133 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC001017784441 1339420432 /nfs/dbraw/zinc/42/04/32/1339420432.db2.gz HOEKBIYQAYJXOF-IYBDPMFKSA-N 1 2 341.842 3.133 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001017847813 1339430133 /nfs/dbraw/zinc/43/01/33/1339430133.db2.gz TXWYTNSOVGZVES-LXTVHRRPSA-N 1 2 348.899 3.204 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001017847813 1339430135 /nfs/dbraw/zinc/43/01/35/1339430135.db2.gz TXWYTNSOVGZVES-LXTVHRRPSA-N 1 2 348.899 3.204 20 30 EGEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)c(F)cc1Cl ZINC001018233071 1339542319 /nfs/dbraw/zinc/54/23/19/1339542319.db2.gz FYNJXOWBQBRXCK-PHIMTYICSA-N 1 2 326.774 3.093 20 30 EGEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)c(F)cc1Cl ZINC001018233071 1339542322 /nfs/dbraw/zinc/54/23/22/1339542322.db2.gz FYNJXOWBQBRXCK-PHIMTYICSA-N 1 2 326.774 3.093 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1sccc1-n1cccc1 ZINC001028059911 1340404085 /nfs/dbraw/zinc/40/40/85/1340404085.db2.gz JLEYRKNJBALHCY-AWEZNQCLSA-N 1 2 349.887 3.486 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1sccc1-n1cccc1 ZINC001028059911 1340404087 /nfs/dbraw/zinc/40/40/87/1340404087.db2.gz JLEYRKNJBALHCY-AWEZNQCLSA-N 1 2 349.887 3.486 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+]2Cc2coc(C3CC3)n2)CC1 ZINC001028116779 1340437738 /nfs/dbraw/zinc/43/77/38/1340437738.db2.gz KAWCZAQHPKAEGJ-GOSISDBHSA-N 1 2 343.471 3.379 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@H+]2Cc2coc(C3CC3)n2)CC1 ZINC001028116779 1340437739 /nfs/dbraw/zinc/43/77/39/1340437739.db2.gz KAWCZAQHPKAEGJ-GOSISDBHSA-N 1 2 343.471 3.379 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001028125372 1340445041 /nfs/dbraw/zinc/44/50/41/1340445041.db2.gz PKEFWARPVVYFKL-MDASCCDHSA-N 1 2 343.446 3.214 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001028125372 1340445042 /nfs/dbraw/zinc/44/50/42/1340445042.db2.gz PKEFWARPVVYFKL-MDASCCDHSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001028147230 1340452532 /nfs/dbraw/zinc/45/25/32/1340452532.db2.gz RDLVMMPCIOCAFO-QLFBSQMISA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001028147230 1340452535 /nfs/dbraw/zinc/45/25/35/1340452535.db2.gz RDLVMMPCIOCAFO-QLFBSQMISA-N 1 2 343.309 3.158 20 30 EGEDLO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1Cl)[C@H]1CC12CC2 ZINC001028168754 1340464201 /nfs/dbraw/zinc/46/42/01/1340464201.db2.gz ZHFMCDOAENFIDG-IAGOWNOFSA-N 1 2 342.870 3.072 20 30 EGEDLO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl)[C@H]1CC12CC2 ZINC001028168754 1340464204 /nfs/dbraw/zinc/46/42/04/1340464204.db2.gz ZHFMCDOAENFIDG-IAGOWNOFSA-N 1 2 342.870 3.072 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(N2CCCC2)c1 ZINC001028223483 1340492054 /nfs/dbraw/zinc/49/20/54/1340492054.db2.gz KHOKOQLMOGXOTE-SFHVURJKSA-N 1 2 347.890 3.234 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc(N2CCCC2)c1 ZINC001028223483 1340492056 /nfs/dbraw/zinc/49/20/56/1340492056.db2.gz KHOKOQLMOGXOTE-SFHVURJKSA-N 1 2 347.890 3.234 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2ccccc2n1 ZINC001028279007 1340532848 /nfs/dbraw/zinc/53/28/48/1340532848.db2.gz HPIKVOKHHAIATI-OAHLLOKOSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2ccccc2n1 ZINC001028279007 1340532853 /nfs/dbraw/zinc/53/28/53/1340532853.db2.gz HPIKVOKHHAIATI-OAHLLOKOSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)ccc1OC ZINC001028303495 1340553039 /nfs/dbraw/zinc/55/30/39/1340553039.db2.gz ORLQFXPATGICKR-ZDUSSCGKSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)ccc1OC ZINC001028303495 1340553041 /nfs/dbraw/zinc/55/30/41/1340553041.db2.gz ORLQFXPATGICKR-ZDUSSCGKSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1Cc2c1cccc2Cl ZINC001028342947 1340582842 /nfs/dbraw/zinc/58/28/42/1340582842.db2.gz IXMJWBARFNTUMN-WFASDCNBSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1Cc2c1cccc2Cl ZINC001028342947 1340582847 /nfs/dbraw/zinc/58/28/47/1340582847.db2.gz IXMJWBARFNTUMN-WFASDCNBSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(N(C)CCC)cc1 ZINC001028348357 1340588267 /nfs/dbraw/zinc/58/82/67/1340588267.db2.gz AITWKYNNWOMUFE-GOSISDBHSA-N 1 2 349.906 3.480 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N(C)CCC)cc1 ZINC001028348357 1340588269 /nfs/dbraw/zinc/58/82/69/1340588269.db2.gz AITWKYNNWOMUFE-GOSISDBHSA-N 1 2 349.906 3.480 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C/C(Cl)=C/Cl)C2)cc1 ZINC001028730436 1340778548 /nfs/dbraw/zinc/77/85/48/1340778548.db2.gz IRJRLICSNTXFAI-SLVCOGOPSA-N 1 2 337.250 3.039 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C/C(Cl)=C/Cl)C2)cc1 ZINC001028730436 1340778551 /nfs/dbraw/zinc/77/85/51/1340778551.db2.gz IRJRLICSNTXFAI-SLVCOGOPSA-N 1 2 337.250 3.039 20 30 EGEDLO Cc1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)c1 ZINC001029199526 1340953387 /nfs/dbraw/zinc/95/33/87/1340953387.db2.gz LJEPBDBPIFBTHL-SZPZYZBQSA-N 1 2 344.458 3.336 20 30 EGEDLO Cc1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)c1 ZINC001029199526 1340953388 /nfs/dbraw/zinc/95/33/88/1340953388.db2.gz LJEPBDBPIFBTHL-SZPZYZBQSA-N 1 2 344.458 3.336 20 30 EGEDLO CC1(C)CC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C#N)s2)C1 ZINC001029293723 1340967923 /nfs/dbraw/zinc/96/79/23/1340967923.db2.gz ANUFKPSWARUYLW-GASCZTMLSA-N 1 2 343.496 3.231 20 30 EGEDLO CC1(C)CC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)s2)C1 ZINC001029293723 1340967924 /nfs/dbraw/zinc/96/79/24/1340967924.db2.gz ANUFKPSWARUYLW-GASCZTMLSA-N 1 2 343.496 3.231 20 30 EGEDLO C=C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/Cl)c1ccccc1 ZINC001029593670 1341018172 /nfs/dbraw/zinc/01/81/72/1341018172.db2.gz FOLNHBXOTGCXSR-QMIAMKQUSA-N 1 2 330.859 3.384 20 30 EGEDLO C=C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C/Cl)c1ccccc1 ZINC001029593670 1341018173 /nfs/dbraw/zinc/01/81/73/1341018173.db2.gz FOLNHBXOTGCXSR-QMIAMKQUSA-N 1 2 330.859 3.384 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cccc3[nH]c(C)nc32)CC[C@@H]1C ZINC001071968391 1355050510 /nfs/dbraw/zinc/05/05/10/1355050510.db2.gz UOLQSAWEXIVDHN-JSGCOSHPSA-N 1 2 346.862 3.207 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cccc3[nH]c(C)nc32)CC[C@@H]1C ZINC001071968391 1355050512 /nfs/dbraw/zinc/05/05/12/1355050512.db2.gz UOLQSAWEXIVDHN-JSGCOSHPSA-N 1 2 346.862 3.207 20 30 EGEDLO C#Cc1ccc(C(=O)NC2C[NH+]([C@H](C)c3ccc4c(c3)CCC4)C2)cc1 ZINC001030777329 1341224236 /nfs/dbraw/zinc/22/42/36/1341224236.db2.gz UAYHMJDOIMALSU-MRXNPFEDSA-N 1 2 344.458 3.332 20 30 EGEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)C1CCCCC1 ZINC001031519580 1341360971 /nfs/dbraw/zinc/36/09/71/1341360971.db2.gz CFRGCTMLEKHHPF-UHFFFAOYSA-N 1 2 344.886 3.320 20 30 EGEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)c1ccccc1 ZINC001031519488 1341361183 /nfs/dbraw/zinc/36/11/83/1341361183.db2.gz DKPJMHMBEQIUKK-UHFFFAOYSA-N 1 2 338.838 3.053 20 30 EGEDLO C[C@H]1C[C@H]1c1ccc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)o1 ZINC001031665340 1341384928 /nfs/dbraw/zinc/38/49/28/1341384928.db2.gz YCJFORHSTXACJF-KBXCAEBGSA-N 1 2 349.434 3.136 20 30 EGEDLO CCc1ccccc1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031934885 1341425023 /nfs/dbraw/zinc/42/50/23/1341425023.db2.gz CZZNZFRIXIIKJJ-UHFFFAOYSA-N 1 2 339.464 3.044 20 30 EGEDLO Cc1ccc(C)c(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)c1 ZINC001032151662 1341464833 /nfs/dbraw/zinc/46/48/33/1341464833.db2.gz PSVWMRSDDWIUMA-UHFFFAOYSA-N 1 2 333.435 3.037 20 30 EGEDLO CCC(C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032791660 1341614355 /nfs/dbraw/zinc/61/43/55/1341614355.db2.gz CTJLKYSGFVZMJN-ROUUACIJSA-N 1 2 325.456 3.170 20 30 EGEDLO CCC(C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032791660 1341614357 /nfs/dbraw/zinc/61/43/57/1341614357.db2.gz CTJLKYSGFVZMJN-ROUUACIJSA-N 1 2 325.456 3.170 20 30 EGEDLO CN(C(=O)c1cccs1)[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032875886 1341646236 /nfs/dbraw/zinc/64/62/36/1341646236.db2.gz JFJNGPMEANVTSO-HNNXBMFYSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C(=O)c1cccs1)[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032875886 1341646237 /nfs/dbraw/zinc/64/62/37/1341646237.db2.gz JFJNGPMEANVTSO-HNNXBMFYSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C(=O)c1cccs1)[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032875887 1341646286 /nfs/dbraw/zinc/64/62/86/1341646286.db2.gz JFJNGPMEANVTSO-OAHLLOKOSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C(=O)c1cccs1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032875887 1341646287 /nfs/dbraw/zinc/64/62/87/1341646287.db2.gz JFJNGPMEANVTSO-OAHLLOKOSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C(=O)c1ccoc1)[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001032908901 1341661272 /nfs/dbraw/zinc/66/12/72/1341661272.db2.gz GNKKWNHYXZDKAB-SFHVURJKSA-N 1 2 342.826 3.131 20 30 EGEDLO CN(C(=O)c1ccoc1)[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001032908901 1341661273 /nfs/dbraw/zinc/66/12/73/1341661273.db2.gz GNKKWNHYXZDKAB-SFHVURJKSA-N 1 2 342.826 3.131 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001033108457 1341727811 /nfs/dbraw/zinc/72/78/11/1341727811.db2.gz RDNXLOPVQJGYQR-HOCLYGCPSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001033108457 1341727814 /nfs/dbraw/zinc/72/78/14/1341727814.db2.gz RDNXLOPVQJGYQR-HOCLYGCPSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ncoc2-c2ccccc2)C1 ZINC001033125891 1341733341 /nfs/dbraw/zinc/73/33/41/1341733341.db2.gz ITSDZDBTROTICR-HNNXBMFYSA-N 1 2 345.830 3.240 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ncoc2-c2ccccc2)C1 ZINC001033125891 1341733343 /nfs/dbraw/zinc/73/33/43/1341733343.db2.gz ITSDZDBTROTICR-HNNXBMFYSA-N 1 2 345.830 3.240 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3cc(OC)ccc32)C1 ZINC001033133173 1341736475 /nfs/dbraw/zinc/73/64/75/1341736475.db2.gz BVWJURKEDGCSCP-CRAIPNDOSA-N 1 2 348.874 3.010 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3cc(OC)ccc32)C1 ZINC001033133173 1341736476 /nfs/dbraw/zinc/73/64/76/1341736476.db2.gz BVWJURKEDGCSCP-CRAIPNDOSA-N 1 2 348.874 3.010 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC23CC3)C1 ZINC001033194862 1341749879 /nfs/dbraw/zinc/74/98/79/1341749879.db2.gz DINSTAWTHOLMIC-UONOGXRCSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC23CC3)C1 ZINC001033194862 1341749882 /nfs/dbraw/zinc/74/98/82/1341749882.db2.gz DINSTAWTHOLMIC-UONOGXRCSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc([C@H]3CCOC3)c2)C1 ZINC001033214700 1341754936 /nfs/dbraw/zinc/75/49/36/1341754936.db2.gz PSANYDBPLIWPQE-ZWKOTPCHSA-N 1 2 348.874 3.089 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc([C@H]3CCOC3)c2)C1 ZINC001033214700 1341754938 /nfs/dbraw/zinc/75/49/38/1341754938.db2.gz PSANYDBPLIWPQE-ZWKOTPCHSA-N 1 2 348.874 3.089 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2cccc(Cl)c2)C1 ZINC001033382153 1341804850 /nfs/dbraw/zinc/80/48/50/1341804850.db2.gz ZYETWODYXHLWFI-OAHLLOKOSA-N 1 2 327.255 3.168 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cccc(Cl)c2)C1 ZINC001033382153 1341804852 /nfs/dbraw/zinc/80/48/52/1341804852.db2.gz ZYETWODYXHLWFI-OAHLLOKOSA-N 1 2 327.255 3.168 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2c(Cl)cncc2Cl)C1 ZINC001033383345 1341805231 /nfs/dbraw/zinc/80/52/31/1341805231.db2.gz LFKFUUSREIIPAO-SNVBAGLBSA-N 1 2 348.661 3.287 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c(Cl)cncc2Cl)C1 ZINC001033383345 1341805232 /nfs/dbraw/zinc/80/52/32/1341805232.db2.gz LFKFUUSREIIPAO-SNVBAGLBSA-N 1 2 348.661 3.287 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccn(C(C)C)n3)C2)CC1 ZINC001033388304 1341807426 /nfs/dbraw/zinc/80/74/26/1341807426.db2.gz BJZDUHYZEWBABV-IBGZPJMESA-N 1 2 344.503 3.243 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccn(C(C)C)n3)C2)CC1 ZINC001033388304 1341807427 /nfs/dbraw/zinc/80/74/27/1341807427.db2.gz BJZDUHYZEWBABV-IBGZPJMESA-N 1 2 344.503 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C)c(F)c2F)C1 ZINC001033441053 1341825131 /nfs/dbraw/zinc/82/51/31/1341825131.db2.gz TYFFRJNPPNNFFO-LBPRGKRZSA-N 1 2 328.790 3.172 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C)c(F)c2F)C1 ZINC001033441053 1341825132 /nfs/dbraw/zinc/82/51/32/1341825132.db2.gz TYFFRJNPPNNFFO-LBPRGKRZSA-N 1 2 328.790 3.172 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH]c3cc(C)ccc23)C1 ZINC001033493218 1341845515 /nfs/dbraw/zinc/84/55/15/1341845515.db2.gz DUEHECDKSQSTON-MRXNPFEDSA-N 1 2 345.874 3.304 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH]c3cc(C)ccc23)C1 ZINC001033493218 1341845516 /nfs/dbraw/zinc/84/55/16/1341845516.db2.gz DUEHECDKSQSTON-MRXNPFEDSA-N 1 2 345.874 3.304 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2coc(C3CCCC3)n2)C1 ZINC001033539149 1341863306 /nfs/dbraw/zinc/86/33/06/1341863306.db2.gz CSVOVXJFHNPJRK-AWEZNQCLSA-N 1 2 337.851 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2coc(C3CCCC3)n2)C1 ZINC001033539149 1341863308 /nfs/dbraw/zinc/86/33/08/1341863308.db2.gz CSVOVXJFHNPJRK-AWEZNQCLSA-N 1 2 337.851 3.231 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2coc(C3CCCC3)n2)C1 ZINC001033539152 1341863472 /nfs/dbraw/zinc/86/34/72/1341863472.db2.gz CSVOVXJFHNPJRK-CQSZACIVSA-N 1 2 337.851 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2coc(C3CCCC3)n2)C1 ZINC001033539152 1341863475 /nfs/dbraw/zinc/86/34/75/1341863475.db2.gz CSVOVXJFHNPJRK-CQSZACIVSA-N 1 2 337.851 3.231 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2OC(C)C)C1 ZINC001033602634 1341892772 /nfs/dbraw/zinc/89/27/72/1341892772.db2.gz ODEAYCLMIZNSNC-OAHLLOKOSA-N 1 2 336.863 3.373 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2OC(C)C)C1 ZINC001033602634 1341892775 /nfs/dbraw/zinc/89/27/75/1341892775.db2.gz ODEAYCLMIZNSNC-OAHLLOKOSA-N 1 2 336.863 3.373 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001033695302 1341960675 /nfs/dbraw/zinc/96/06/75/1341960675.db2.gz HWNOGZMSBGRSHK-WFASDCNBSA-N 1 2 339.266 3.265 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001033695302 1341960676 /nfs/dbraw/zinc/96/06/76/1341960676.db2.gz HWNOGZMSBGRSHK-WFASDCNBSA-N 1 2 339.266 3.265 20 30 EGEDLO CN(C(=O)c1ccc(F)s1)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033702323 1341967649 /nfs/dbraw/zinc/96/76/49/1341967649.db2.gz PYNWDHXKXZOUAE-LLVKDONJSA-N 1 2 349.456 3.167 20 30 EGEDLO CN(C(=O)c1ccc(F)s1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033702323 1341967651 /nfs/dbraw/zinc/96/76/51/1341967651.db2.gz PYNWDHXKXZOUAE-LLVKDONJSA-N 1 2 349.456 3.167 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2CC(c3ccccc3)C2)C1 ZINC001033703089 1341968036 /nfs/dbraw/zinc/96/80/36/1341968036.db2.gz XXZCGVACVSLPSJ-DAWZGUTISA-N 1 2 332.875 3.465 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CC(c3ccccc3)C2)C1 ZINC001033703089 1341968037 /nfs/dbraw/zinc/96/80/37/1341968037.db2.gz XXZCGVACVSLPSJ-DAWZGUTISA-N 1 2 332.875 3.465 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)c2csc([C@@H]3CCCO3)n2)C1 ZINC001033828806 1342029137 /nfs/dbraw/zinc/02/91/37/1342029137.db2.gz RMGMVOKLPLPBPB-HOCLYGCPSA-N 1 2 349.500 3.107 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2csc([C@@H]3CCCO3)n2)C1 ZINC001033828806 1342029139 /nfs/dbraw/zinc/02/91/39/1342029139.db2.gz RMGMVOKLPLPBPB-HOCLYGCPSA-N 1 2 349.500 3.107 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(OC)c(F)c2)C1 ZINC001033859856 1342048955 /nfs/dbraw/zinc/04/89/55/1342048955.db2.gz JPGHUVZUAHQBPN-AWEZNQCLSA-N 1 2 340.826 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(OC)c(F)c2)C1 ZINC001033859856 1342048958 /nfs/dbraw/zinc/04/89/58/1342048958.db2.gz JPGHUVZUAHQBPN-AWEZNQCLSA-N 1 2 340.826 3.123 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(F)cc2F)C1 ZINC001034030242 1342169205 /nfs/dbraw/zinc/16/92/05/1342169205.db2.gz YJVUMXKAFBWCCB-ZDUSSCGKSA-N 1 2 328.790 3.254 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(F)cc2F)C1 ZINC001034030242 1342169208 /nfs/dbraw/zinc/16/92/08/1342169208.db2.gz YJVUMXKAFBWCCB-ZDUSSCGKSA-N 1 2 328.790 3.254 20 30 EGEDLO O=C(CC1CC1)N[C@H]1CCCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001034065453 1342203939 /nfs/dbraw/zinc/20/39/39/1342203939.db2.gz QJBHYLHPYTYLHU-SFHVURJKSA-N 1 2 344.886 3.462 20 30 EGEDLO O=C(CC1CC1)N[C@H]1CCCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001034065453 1342203947 /nfs/dbraw/zinc/20/39/47/1342203947.db2.gz QJBHYLHPYTYLHU-SFHVURJKSA-N 1 2 344.886 3.462 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@@H+](Cc3nocc3C)C2)CC1 ZINC001034380109 1342449217 /nfs/dbraw/zinc/44/92/17/1342449217.db2.gz HWBLVKWLXUPHDD-QGZVFWFLSA-N 1 2 331.460 3.200 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@H+](Cc3nocc3C)C2)CC1 ZINC001034380109 1342449221 /nfs/dbraw/zinc/44/92/21/1342449221.db2.gz HWBLVKWLXUPHDD-QGZVFWFLSA-N 1 2 331.460 3.200 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001034385886 1342454832 /nfs/dbraw/zinc/45/48/32/1342454832.db2.gz VNMHICKYHYDWDU-CQSZACIVSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001034385886 1342454834 /nfs/dbraw/zinc/45/48/34/1342454834.db2.gz VNMHICKYHYDWDU-CQSZACIVSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccncc2Cl)C1 ZINC001034410871 1342472253 /nfs/dbraw/zinc/47/22/53/1342472253.db2.gz JDSDBECBYFVJEA-GFCCVEGCSA-N 1 2 328.243 3.072 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccncc2Cl)C1 ZINC001034410871 1342472251 /nfs/dbraw/zinc/47/22/51/1342472251.db2.gz JDSDBECBYFVJEA-GFCCVEGCSA-N 1 2 328.243 3.072 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001035037333 1342890811 /nfs/dbraw/zinc/89/08/11/1342890811.db2.gz SMNIYGLQZPQBEJ-KUHUBIRLSA-N 1 2 348.491 3.050 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c(CC)oc3ccccc32)C1 ZINC001035617307 1343102077 /nfs/dbraw/zinc/10/20/77/1343102077.db2.gz RJWJBEZQKOFKAO-HNNXBMFYSA-N 1 2 342.439 3.002 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2c(CC)oc3ccccc32)C1 ZINC001035617307 1343102079 /nfs/dbraw/zinc/10/20/79/1343102079.db2.gz RJWJBEZQKOFKAO-HNNXBMFYSA-N 1 2 342.439 3.002 20 30 EGEDLO CCCC(=O)N1CCC2(C[NH+](CC#Cc3ccccc3Cl)C2)CC1 ZINC001035635361 1343109807 /nfs/dbraw/zinc/10/98/07/1343109807.db2.gz FIWXOKSPYJKDBV-UHFFFAOYSA-N 1 2 344.886 3.416 20 30 EGEDLO C[C@H](C#N)C(=O)N1CCC2(C[NH+](Cc3ccc(Cl)cc3F)C2)CC1 ZINC001035674353 1343132778 /nfs/dbraw/zinc/13/27/78/1343132778.db2.gz VCCXXMWCASNUOF-CYBMUJFWSA-N 1 2 349.837 3.063 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CCCC1(F)F)CC2 ZINC001035777015 1343188157 /nfs/dbraw/zinc/18/81/57/1343188157.db2.gz XMSCUCYNBLTGFC-CQSZACIVSA-N 1 2 346.849 3.489 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccc(C)cc1F)CC2 ZINC001035803392 1343205847 /nfs/dbraw/zinc/20/58/47/1343205847.db2.gz FVUOIRVDYVTKMX-UHFFFAOYSA-N 1 2 336.838 3.425 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cc(C)ccc1F)CC2 ZINC001035808154 1343208638 /nfs/dbraw/zinc/20/86/38/1343208638.db2.gz WUBBCTCAVYDZBA-UHFFFAOYSA-N 1 2 336.838 3.425 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)C2CCCCCC2)s1 ZINC001038105649 1344281086 /nfs/dbraw/zinc/28/10/86/1344281086.db2.gz SZSJRHHTBFZQFK-HNNXBMFYSA-N 1 2 331.485 3.281 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)C2CCCCCC2)s1 ZINC001038105649 1344281089 /nfs/dbraw/zinc/28/10/89/1344281089.db2.gz SZSJRHHTBFZQFK-HNNXBMFYSA-N 1 2 331.485 3.281 20 30 EGEDLO C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038144062 1344296781 /nfs/dbraw/zinc/29/67/81/1344296781.db2.gz IUDHWYKMGHMCRU-TZMCWYRMSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038144062 1344296783 /nfs/dbraw/zinc/29/67/83/1344296783.db2.gz IUDHWYKMGHMCRU-TZMCWYRMSA-N 1 2 342.830 3.105 20 30 EGEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1CCCC2(CC2)C1 ZINC001038248315 1344342831 /nfs/dbraw/zinc/34/28/31/1344342831.db2.gz VGMWZKYNHDBUFJ-VQTJNVASSA-N 1 2 336.479 3.199 20 30 EGEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1CCCC2(CC2)C1 ZINC001038248315 1344342832 /nfs/dbraw/zinc/34/28/32/1344342832.db2.gz VGMWZKYNHDBUFJ-VQTJNVASSA-N 1 2 336.479 3.199 20 30 EGEDLO Cc1cc(C)c(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)s1 ZINC001038303007 1344370955 /nfs/dbraw/zinc/37/09/55/1344370955.db2.gz ZAYIUGIMLWHHMW-KRWDZBQOSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1cc(C)c(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)s1 ZINC001038303007 1344370960 /nfs/dbraw/zinc/37/09/60/1344370960.db2.gz ZAYIUGIMLWHHMW-KRWDZBQOSA-N 1 2 339.464 3.241 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@H+]1[C@H](C)c1ccccc1F ZINC001038344177 1344388496 /nfs/dbraw/zinc/38/84/96/1344388496.db2.gz FKKBSTAGSQRWMD-HZPDHXFCSA-N 1 2 341.430 3.379 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@@H+]1[C@H](C)c1ccccc1F ZINC001038344177 1344388498 /nfs/dbraw/zinc/38/84/98/1344388498.db2.gz FKKBSTAGSQRWMD-HZPDHXFCSA-N 1 2 341.430 3.379 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccc3[nH]ccc3c2)c1 ZINC001038643255 1344518548 /nfs/dbraw/zinc/51/85/48/1344518548.db2.gz YNFMCGPYOGKYSM-IBGZPJMESA-N 1 2 344.418 3.044 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccc3[nH]ccc3c2)c1 ZINC001038643255 1344518554 /nfs/dbraw/zinc/51/85/54/1344518554.db2.gz YNFMCGPYOGKYSM-IBGZPJMESA-N 1 2 344.418 3.044 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001038722264 1344552530 /nfs/dbraw/zinc/55/25/30/1344552530.db2.gz MUHLLJDENYHSLW-FGTMMUONSA-N 1 2 343.446 3.070 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001038722264 1344552535 /nfs/dbraw/zinc/55/25/35/1344552535.db2.gz MUHLLJDENYHSLW-FGTMMUONSA-N 1 2 343.446 3.070 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccsc2Cl)cc1 ZINC001038772309 1344578350 /nfs/dbraw/zinc/57/83/50/1344578350.db2.gz HUTGOVNUOPJTDF-AWEZNQCLSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccsc2Cl)cc1 ZINC001038772309 1344578352 /nfs/dbraw/zinc/57/83/52/1344578352.db2.gz HUTGOVNUOPJTDF-AWEZNQCLSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2CC3CCC2CC3)s1 ZINC001039048470 1344734231 /nfs/dbraw/zinc/73/42/31/1344734231.db2.gz IGNWAPIAHJMEEF-ZUBZBLCWSA-N 1 2 343.496 3.137 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2CC3CCC2CC3)s1 ZINC001039048470 1344734234 /nfs/dbraw/zinc/73/42/34/1344734234.db2.gz IGNWAPIAHJMEEF-ZUBZBLCWSA-N 1 2 343.496 3.137 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCC1 ZINC001039320973 1345012344 /nfs/dbraw/zinc/01/23/44/1345012344.db2.gz DLXFBHUHDNEXQR-MOPGFXCFSA-N 1 2 341.430 3.063 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCC1 ZINC001039320973 1345012347 /nfs/dbraw/zinc/01/23/47/1345012347.db2.gz DLXFBHUHDNEXQR-MOPGFXCFSA-N 1 2 341.430 3.063 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(CC)CC ZINC001039332181 1345018620 /nfs/dbraw/zinc/01/86/20/1345018620.db2.gz HZHZWALQBNACNG-CABCVRRESA-N 1 2 343.309 3.397 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(CC)CC ZINC001039332181 1345018622 /nfs/dbraw/zinc/01/86/22/1345018622.db2.gz HZHZWALQBNACNG-CABCVRRESA-N 1 2 343.309 3.397 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)c1ccncc1 ZINC001039394362 1345043430 /nfs/dbraw/zinc/04/34/30/1345043430.db2.gz WTTAROCFZDDXBR-QGTPRVQTSA-N 1 2 347.890 3.393 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)c1ccncc1 ZINC001039394362 1345043437 /nfs/dbraw/zinc/04/34/37/1345043437.db2.gz WTTAROCFZDDXBR-QGTPRVQTSA-N 1 2 347.890 3.393 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1ccco1 ZINC001039450668 1345074170 /nfs/dbraw/zinc/07/41/70/1345074170.db2.gz NIEYZZLYRPMDBN-IMJJTQAJSA-N 1 2 336.863 3.276 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1ccco1 ZINC001039450668 1345074173 /nfs/dbraw/zinc/07/41/73/1345074173.db2.gz NIEYZZLYRPMDBN-IMJJTQAJSA-N 1 2 336.863 3.276 20 30 EGEDLO Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cccc(C#N)c2)o1 ZINC001039507481 1345120518 /nfs/dbraw/zinc/12/05/18/1345120518.db2.gz PFKTWXFUFKOFDL-KDURUIRLSA-N 1 2 349.434 3.339 20 30 EGEDLO Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cccc(C#N)c2)o1 ZINC001039507481 1345120521 /nfs/dbraw/zinc/12/05/21/1345120521.db2.gz PFKTWXFUFKOFDL-KDURUIRLSA-N 1 2 349.434 3.339 20 30 EGEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H](C)c1ccccc1F ZINC001039527706 1345130483 /nfs/dbraw/zinc/13/04/83/1345130483.db2.gz ALXZAQDWCOOSDW-QXSJWSMHSA-N 1 2 329.419 3.112 20 30 EGEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H](C)c1ccccc1F ZINC001039527706 1345130487 /nfs/dbraw/zinc/13/04/87/1345130487.db2.gz ALXZAQDWCOOSDW-QXSJWSMHSA-N 1 2 329.419 3.112 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)N(c3nc(C)[nH+]c(C)c3C)C2)C1 ZINC001039802520 1345192350 /nfs/dbraw/zinc/19/23/50/1345192350.db2.gz SVJRYLINEPXNIA-DYVFJYSZSA-N 1 2 342.487 3.232 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(C(C)C)no3)C[C@H]21 ZINC001042257688 1346008299 /nfs/dbraw/zinc/00/82/99/1346008299.db2.gz KXRSNMBJSBASBH-UKRRQHHQSA-N 1 2 337.851 3.087 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C(C)C)no3)C[C@H]21 ZINC001042257688 1346008300 /nfs/dbraw/zinc/00/83/00/1346008300.db2.gz KXRSNMBJSBASBH-UKRRQHHQSA-N 1 2 337.851 3.087 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3nc(C)c(C)s3)C[C@@H]21 ZINC001042360632 1346055253 /nfs/dbraw/zinc/05/52/53/1346055253.db2.gz WBHUEOCGNBRHHT-KGLIPLIRSA-N 1 2 339.892 3.049 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3nc(C)c(C)s3)C[C@@H]21 ZINC001042360632 1346055256 /nfs/dbraw/zinc/05/52/56/1346055256.db2.gz WBHUEOCGNBRHHT-KGLIPLIRSA-N 1 2 339.892 3.049 20 30 EGEDLO C=CCn1cccc1C(=O)N(C)C1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001042928265 1346125838 /nfs/dbraw/zinc/12/58/38/1346125838.db2.gz ZKGFMKLZZHVSAM-UHFFFAOYSA-N 1 2 349.478 3.119 20 30 EGEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](Cc3cc(C)sc3C)C2)cc1 ZINC001043505847 1346184488 /nfs/dbraw/zinc/18/44/88/1346184488.db2.gz HWYGFIAFHYSCBD-UHFFFAOYSA-N 1 2 338.476 3.303 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(C)s1 ZINC001045824951 1346709480 /nfs/dbraw/zinc/70/94/80/1346709480.db2.gz KVHQDLOSKWOXJA-CABCVRRESA-N 1 2 348.516 3.014 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(C)s1 ZINC001045824951 1346709482 /nfs/dbraw/zinc/70/94/82/1346709482.db2.gz KVHQDLOSKWOXJA-CABCVRRESA-N 1 2 348.516 3.014 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccnn2C(CC)CC)C1 ZINC001046375527 1346954694 /nfs/dbraw/zinc/95/46/94/1346954694.db2.gz BBEIAQNRNUWEII-QGZVFWFLSA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccnn2C(CC)CC)C1 ZINC001046375527 1346954695 /nfs/dbraw/zinc/95/46/95/1346954695.db2.gz BBEIAQNRNUWEII-QGZVFWFLSA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCC23CC3)C1 ZINC001046417069 1346968250 /nfs/dbraw/zinc/96/82/50/1346968250.db2.gz IIEZXOQGFBFSQS-HIFRSBDPSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCCC23CC3)C1 ZINC001046417069 1346968252 /nfs/dbraw/zinc/96/82/52/1346968252.db2.gz IIEZXOQGFBFSQS-HIFRSBDPSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001046491467 1346993416 /nfs/dbraw/zinc/99/34/16/1346993416.db2.gz VJJHQIBSCOUVQZ-AEFFLSMTSA-N 1 2 336.838 3.189 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001046491467 1346993421 /nfs/dbraw/zinc/99/34/21/1346993421.db2.gz VJJHQIBSCOUVQZ-AEFFLSMTSA-N 1 2 336.838 3.189 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnn(C(C)C)c2Cl)C1 ZINC001046518136 1347001563 /nfs/dbraw/zinc/00/15/63/1347001563.db2.gz JAMIVLJMGCDDHJ-HNNXBMFYSA-N 1 2 345.274 3.064 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnn(C(C)C)c2Cl)C1 ZINC001046518136 1347001564 /nfs/dbraw/zinc/00/15/64/1347001564.db2.gz JAMIVLJMGCDDHJ-HNNXBMFYSA-N 1 2 345.274 3.064 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc3cccc(OC)c3o2)C1 ZINC001046585403 1347026793 /nfs/dbraw/zinc/02/67/93/1347026793.db2.gz JFHMYARHZQIRGM-GOSISDBHSA-N 1 2 348.830 3.388 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc3cccc(OC)c3o2)C1 ZINC001046585403 1347026795 /nfs/dbraw/zinc/02/67/95/1347026795.db2.gz JFHMYARHZQIRGM-GOSISDBHSA-N 1 2 348.830 3.388 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc3ccccc3n2C)C1 ZINC001046587025 1347027117 /nfs/dbraw/zinc/02/71/17/1347027117.db2.gz XKWKWBUGQOGCQP-SFHVURJKSA-N 1 2 331.847 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc3ccccc3n2C)C1 ZINC001046587025 1347027118 /nfs/dbraw/zinc/02/71/18/1347027118.db2.gz XKWKWBUGQOGCQP-SFHVURJKSA-N 1 2 331.847 3.125 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001046645184 1347047287 /nfs/dbraw/zinc/04/72/87/1347047287.db2.gz XLYFRGPDQZNULL-OAHLLOKOSA-N 1 2 332.753 3.051 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001046645184 1347047288 /nfs/dbraw/zinc/04/72/88/1347047288.db2.gz XLYFRGPDQZNULL-OAHLLOKOSA-N 1 2 332.753 3.051 20 30 EGEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(Cl)c(Br)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226940633 1375363205 /nfs/dbraw/zinc/36/32/05/1375363205.db2.gz HPSGTHJRYXIQFX-UBYSCORNSA-N 1 2 344.636 3.094 20 30 EGEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(Cl)c(Br)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226940633 1375363216 /nfs/dbraw/zinc/36/32/16/1375363216.db2.gz HPSGTHJRYXIQFX-UBYSCORNSA-N 1 2 344.636 3.094 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001046869633 1347140236 /nfs/dbraw/zinc/14/02/36/1347140236.db2.gz OFLKNUCQOFOVAH-WMLDXEAASA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001046869633 1347140238 /nfs/dbraw/zinc/14/02/38/1347140238.db2.gz OFLKNUCQOFOVAH-WMLDXEAASA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001046869628 1347140453 /nfs/dbraw/zinc/14/04/53/1347140453.db2.gz OFLKNUCQOFOVAH-PBHICJAKSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001046869628 1347140460 /nfs/dbraw/zinc/14/04/60/1347140460.db2.gz OFLKNUCQOFOVAH-PBHICJAKSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(C)oc2C)C1 ZINC001046919043 1347153077 /nfs/dbraw/zinc/15/30/77/1347153077.db2.gz NWQGLFRQCCTVQI-ZDUSSCGKSA-N 1 2 346.805 3.336 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(C)oc2C)C1 ZINC001046919043 1347153078 /nfs/dbraw/zinc/15/30/78/1347153078.db2.gz NWQGLFRQCCTVQI-ZDUSSCGKSA-N 1 2 346.805 3.336 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c(C)coc2C)C1 ZINC001046933081 1347156355 /nfs/dbraw/zinc/15/63/55/1347156355.db2.gz ZCHNVDUOCRWYMA-ZDUSSCGKSA-N 1 2 346.805 3.336 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c(C)coc2C)C1 ZINC001046933081 1347156359 /nfs/dbraw/zinc/15/63/59/1347156359.db2.gz ZCHNVDUOCRWYMA-ZDUSSCGKSA-N 1 2 346.805 3.336 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2csc(C)c2)C1 ZINC001046981912 1347175839 /nfs/dbraw/zinc/17/58/39/1347175839.db2.gz JCEZAVFSWKLBCP-ZDUSSCGKSA-N 1 2 348.846 3.496 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2csc(C)c2)C1 ZINC001046981912 1347175840 /nfs/dbraw/zinc/17/58/40/1347175840.db2.gz JCEZAVFSWKLBCP-ZDUSSCGKSA-N 1 2 348.846 3.496 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001079744791 1357364726 /nfs/dbraw/zinc/36/47/26/1357364726.db2.gz GHZINQZEXTZYKN-CZUORRHYSA-N 1 2 336.863 3.115 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001079744791 1357364730 /nfs/dbraw/zinc/36/47/30/1357364730.db2.gz GHZINQZEXTZYKN-CZUORRHYSA-N 1 2 336.863 3.115 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC1CC1 ZINC001049284794 1347769932 /nfs/dbraw/zinc/76/99/32/1347769932.db2.gz JCZKRIUECFUBEQ-RTBURBONSA-N 1 2 341.430 3.063 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC1CC1 ZINC001049284794 1347769935 /nfs/dbraw/zinc/76/99/35/1347769935.db2.gz JCZKRIUECFUBEQ-RTBURBONSA-N 1 2 341.430 3.063 20 30 EGEDLO CC[C@H](C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001049346177 1347799442 /nfs/dbraw/zinc/79/94/42/1347799442.db2.gz XOCSGTQTJGZMGM-GDIGMMSISA-N 1 2 343.446 3.309 20 30 EGEDLO CC[C@H](C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001049346177 1347799444 /nfs/dbraw/zinc/79/94/44/1347799444.db2.gz XOCSGTQTJGZMGM-GDIGMMSISA-N 1 2 343.446 3.309 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC(C)C1 ZINC001049405118 1347828780 /nfs/dbraw/zinc/82/87/80/1347828780.db2.gz GTXHCDVYDXJYDV-AXVKAWJUSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC(C)C1 ZINC001049405118 1347828782 /nfs/dbraw/zinc/82/87/82/1347828782.db2.gz GTXHCDVYDXJYDV-AXVKAWJUSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1sccc1F ZINC001049447460 1347853761 /nfs/dbraw/zinc/85/37/61/1347853761.db2.gz NXUYYFYQWIQANK-QWHCGFSZSA-N 1 2 328.840 3.319 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1sccc1F ZINC001049447460 1347853764 /nfs/dbraw/zinc/85/37/64/1347853764.db2.gz NXUYYFYQWIQANK-QWHCGFSZSA-N 1 2 328.840 3.319 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c(C)onc1C1CC1 ZINC001049598224 1347929995 /nfs/dbraw/zinc/92/99/95/1347929995.db2.gz LKPAMQFTHCTSGG-LSDHHAIUSA-N 1 2 349.862 3.292 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c(C)onc1C1CC1 ZINC001049598224 1347929997 /nfs/dbraw/zinc/92/99/97/1347929997.db2.gz LKPAMQFTHCTSGG-LSDHHAIUSA-N 1 2 349.862 3.292 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1coc(C2CC2)n1 ZINC001049646028 1347952702 /nfs/dbraw/zinc/95/27/02/1347952702.db2.gz ORVXUFDEWWHPBS-IAGOWNOFSA-N 1 2 343.471 3.330 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1coc(C2CC2)n1 ZINC001049646028 1347952703 /nfs/dbraw/zinc/95/27/03/1347952703.db2.gz ORVXUFDEWWHPBS-IAGOWNOFSA-N 1 2 343.471 3.330 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ncc(CC)o1 ZINC001049692835 1347975682 /nfs/dbraw/zinc/97/56/82/1347975682.db2.gz IQSMHRVSRMSEEW-ABSDTBQOSA-N 1 2 345.487 3.405 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ncc(CC)o1 ZINC001049692835 1347975685 /nfs/dbraw/zinc/97/56/85/1347975685.db2.gz IQSMHRVSRMSEEW-ABSDTBQOSA-N 1 2 345.487 3.405 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cscn2)C1 ZINC001049703521 1347981641 /nfs/dbraw/zinc/98/16/41/1347981641.db2.gz SVWQSOXHEZOPCX-CVEARBPZSA-N 1 2 331.485 3.065 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3Cc2cscn2)C1 ZINC001049703521 1347981642 /nfs/dbraw/zinc/98/16/42/1347981642.db2.gz SVWQSOXHEZOPCX-CVEARBPZSA-N 1 2 331.485 3.065 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ocnc1C(F)F ZINC001049720979 1347990046 /nfs/dbraw/zinc/99/00/46/1347990046.db2.gz VKOAPCOAWGGBJI-MNOVXSKESA-N 1 2 345.777 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ocnc1C(F)F ZINC001049720979 1347990048 /nfs/dbraw/zinc/99/00/48/1347990048.db2.gz VKOAPCOAWGGBJI-MNOVXSKESA-N 1 2 345.777 3.044 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1CC ZINC001049739241 1347995044 /nfs/dbraw/zinc/99/50/44/1347995044.db2.gz YCLRHURSJPLVCD-KBUPBQIOSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1CC ZINC001049739241 1347995047 /nfs/dbraw/zinc/99/50/47/1347995047.db2.gz YCLRHURSJPLVCD-KBUPBQIOSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1coc(C2CCC2)n1 ZINC001049845716 1348055125 /nfs/dbraw/zinc/05/51/25/1348055125.db2.gz YYNUIKUXYCPLGN-CVEARBPZSA-N 1 2 349.862 3.374 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1coc(C2CCC2)n1 ZINC001049845716 1348055127 /nfs/dbraw/zinc/05/51/27/1348055127.db2.gz YYNUIKUXYCPLGN-CVEARBPZSA-N 1 2 349.862 3.374 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)c3sccc3F)[C@@H]2C1 ZINC001050041496 1348162832 /nfs/dbraw/zinc/16/28/32/1348162832.db2.gz ISMXYRKBLXGFSF-WCQYABFASA-N 1 2 328.840 3.176 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3sccc3F)[C@@H]2C1 ZINC001050041496 1348162834 /nfs/dbraw/zinc/16/28/34/1348162834.db2.gz ISMXYRKBLXGFSF-WCQYABFASA-N 1 2 328.840 3.176 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccnn2C(CC)CC)C1 ZINC001079847407 1357400193 /nfs/dbraw/zinc/40/01/93/1357400193.db2.gz DDAGAYSLAANLIG-IUODEOHRSA-N 1 2 338.883 3.047 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccnn2C(CC)CC)C1 ZINC001079847407 1357400208 /nfs/dbraw/zinc/40/02/08/1357400208.db2.gz DDAGAYSLAANLIG-IUODEOHRSA-N 1 2 338.883 3.047 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2COCC[N@H+]2Cc2ccccc2C)CC1 ZINC001051100731 1348392596 /nfs/dbraw/zinc/39/25/96/1348392596.db2.gz XTRUAVVYKTVAFY-FQEVSTJZSA-N 1 2 342.483 3.058 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2COCC[N@@H+]2Cc2ccccc2C)CC1 ZINC001051100731 1348392598 /nfs/dbraw/zinc/39/25/98/1348392598.db2.gz XTRUAVVYKTVAFY-FQEVSTJZSA-N 1 2 342.483 3.058 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccsc1C(F)F ZINC001051228766 1348406504 /nfs/dbraw/zinc/40/65/04/1348406504.db2.gz OFRHDECAEPSLOP-LBPRGKRZSA-N 1 2 344.427 3.083 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccsc1C(F)F ZINC001051228766 1348406505 /nfs/dbraw/zinc/40/65/05/1348406505.db2.gz OFRHDECAEPSLOP-LBPRGKRZSA-N 1 2 344.427 3.083 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1sccc1C1CC1 ZINC001051235693 1348407298 /nfs/dbraw/zinc/40/72/98/1348407298.db2.gz SIYAWEAINPVNSM-OAHLLOKOSA-N 1 2 334.485 3.022 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1sccc1C1CC1 ZINC001051235693 1348407300 /nfs/dbraw/zinc/40/73/00/1348407300.db2.gz SIYAWEAINPVNSM-OAHLLOKOSA-N 1 2 334.485 3.022 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1oc2ccccc2c1C ZINC001051237063 1348407963 /nfs/dbraw/zinc/40/79/63/1348407963.db2.gz LGPHDLBBQLDICF-INIZCTEOSA-N 1 2 342.439 3.138 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1oc2ccccc2c1C ZINC001051237063 1348407965 /nfs/dbraw/zinc/40/79/65/1348407965.db2.gz LGPHDLBBQLDICF-INIZCTEOSA-N 1 2 342.439 3.138 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)C1CCC1 ZINC001079941222 1357432229 /nfs/dbraw/zinc/43/22/29/1357432229.db2.gz AKSNKKHZTXBOBA-PJIJBLCYSA-N 1 2 343.446 3.070 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)C1CCC1 ZINC001079941222 1357432232 /nfs/dbraw/zinc/43/22/32/1357432232.db2.gz AKSNKKHZTXBOBA-PJIJBLCYSA-N 1 2 343.446 3.070 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCOC2(C[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC001053412638 1349024052 /nfs/dbraw/zinc/02/40/52/1349024052.db2.gz ZBUSOYZILLGRQU-XLIONFOSSA-N 1 2 342.483 3.263 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1[C@@H]3CCCCCC[C@@H]31)O2 ZINC001053668071 1349089990 /nfs/dbraw/zinc/08/99/90/1349089990.db2.gz IKYWQBDHEOMVJI-INDMIFKZSA-N 1 2 346.515 3.129 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)C1CCC(C3CC3)CC1)O2 ZINC001053694482 1349095487 /nfs/dbraw/zinc/09/54/87/1349095487.db2.gz RTPZVSAAQVTLIF-CTWPCTMYSA-N 1 2 346.515 3.129 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1sccc1C(C)C)O2 ZINC001053700857 1349097966 /nfs/dbraw/zinc/09/79/66/1349097966.db2.gz FZTZTMDSJVAXJX-OAHLLOKOSA-N 1 2 348.512 3.411 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc3cscc3s1)CO2 ZINC001053873209 1349120120 /nfs/dbraw/zinc/12/01/20/1349120120.db2.gz UKXZNUJNJGEJMA-ZDUSSCGKSA-N 1 2 348.493 3.112 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C)c(C)cc1Cl)CO2 ZINC001053891905 1349121698 /nfs/dbraw/zinc/12/16/98/1349121698.db2.gz ZNXZIQMMDQQGEY-HNNXBMFYSA-N 1 2 348.874 3.106 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc3ccsc31)CO2 ZINC001053974961 1349127300 /nfs/dbraw/zinc/12/73/00/1349127300.db2.gz WXFBOTZYBRMNMS-OAHLLOKOSA-N 1 2 342.464 3.051 20 30 EGEDLO C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C(C)C)on1 ZINC001054048351 1349138694 /nfs/dbraw/zinc/13/86/94/1349138694.db2.gz ZSXNEWCACDVPJV-QGZVFWFLSA-N 1 2 339.439 3.141 20 30 EGEDLO C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C(C)C)on1 ZINC001054048351 1349138699 /nfs/dbraw/zinc/13/86/99/1349138699.db2.gz ZSXNEWCACDVPJV-QGZVFWFLSA-N 1 2 339.439 3.141 20 30 EGEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccccc1CC ZINC001054049926 1349139163 /nfs/dbraw/zinc/13/91/63/1349139163.db2.gz NMWNLFUFTMCKDI-OAQYLSRUSA-N 1 2 346.474 3.429 20 30 EGEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccccc1CC ZINC001054049926 1349139168 /nfs/dbraw/zinc/13/91/68/1349139168.db2.gz NMWNLFUFTMCKDI-OAQYLSRUSA-N 1 2 346.474 3.429 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccn(C(C)C)c3C)cc2C1 ZINC001054278313 1349278699 /nfs/dbraw/zinc/27/86/99/1349278699.db2.gz UOXTXGUYXOTQPU-UHFFFAOYSA-N 1 2 335.451 3.256 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccn(C(C)C)c3C)cc2C1 ZINC001054278313 1349278702 /nfs/dbraw/zinc/27/87/02/1349278702.db2.gz UOXTXGUYXOTQPU-UHFFFAOYSA-N 1 2 335.451 3.256 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001080109543 1357488245 /nfs/dbraw/zinc/48/82/45/1357488245.db2.gz WDPYRBMQFNDPFF-FMKGYKFTSA-N 1 2 343.309 3.014 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001080109543 1357488248 /nfs/dbraw/zinc/48/82/48/1357488248.db2.gz WDPYRBMQFNDPFF-FMKGYKFTSA-N 1 2 343.309 3.014 20 30 EGEDLO CC(C)c1cc(NC2CCN(C(=O)[C@@H](C)C#N)CC2)nc(C(C)C)[nH+]1 ZINC001057295747 1350011117 /nfs/dbraw/zinc/01/11/17/1350011117.db2.gz WRJVNQVTQSXEQF-AWEZNQCLSA-N 1 2 343.475 3.286 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2CC[C@H](Nc3cc[nH+]c(C)n3)[C@H]2C1 ZINC001060551631 1350970459 /nfs/dbraw/zinc/97/04/59/1350970459.db2.gz ZJOOUFFWOBGOJF-JYJNAYRXSA-N 1 2 328.460 3.036 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001060956941 1351191571 /nfs/dbraw/zinc/19/15/71/1351191571.db2.gz CHYOWQVXWPLTHF-CQSZACIVSA-N 1 2 328.460 3.135 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC([C@H](C)Nc3cc[nH+]c(C)n3)CC2)C1 ZINC001061880697 1351388287 /nfs/dbraw/zinc/38/82/87/1351388287.db2.gz ASKPKMOJZHHSIX-AWEZNQCLSA-N 1 2 328.460 3.180 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nc(C)[nH+]c(C)c1C ZINC001062013757 1351424501 /nfs/dbraw/zinc/42/45/01/1351424501.db2.gz FMJMQOOGQWSENZ-CALCHBBNSA-N 1 2 342.487 3.184 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nc(C)[nH+]c(C)c1C ZINC001062019676 1351426992 /nfs/dbraw/zinc/42/69/92/1351426992.db2.gz DERHDAISXJPGOR-QKLQHJQFSA-N 1 2 342.487 3.184 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]c(C2CC2)n1 ZINC001062571205 1351595431 /nfs/dbraw/zinc/59/54/31/1351595431.db2.gz IEOCBKMAMLYMNL-FTRWYGJKSA-N 1 2 340.471 3.054 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@@H]2CCCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC001067609889 1353464182 /nfs/dbraw/zinc/46/41/82/1353464182.db2.gz UFWJGIFLOPVDLR-GOSISDBHSA-N 1 2 342.487 3.349 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CCCCC3(C)C)c2C1 ZINC001069883569 1354293084 /nfs/dbraw/zinc/29/30/84/1354293084.db2.gz PQYOGUZFNPHOBU-KRWDZBQOSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CCCCC3(C)C)c2C1 ZINC001069883569 1354293089 /nfs/dbraw/zinc/29/30/89/1354293089.db2.gz PQYOGUZFNPHOBU-KRWDZBQOSA-N 1 2 344.503 3.107 20 30 EGEDLO Cc1coc(C)c1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001085579787 1358610707 /nfs/dbraw/zinc/61/07/07/1358610707.db2.gz VVEJLBGQEQYYQN-CQSZACIVSA-N 1 2 343.452 3.176 20 30 EGEDLO Cc1coc(C)c1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001085579787 1358610709 /nfs/dbraw/zinc/61/07/09/1358610709.db2.gz VVEJLBGQEQYYQN-CQSZACIVSA-N 1 2 343.452 3.176 20 30 EGEDLO C=C(C)CC[N@@H+]1Cc2cnn(C3CCN(C(=O)/C(C)=C/C)CC3)c2C1 ZINC001070344712 1354325491 /nfs/dbraw/zinc/32/54/91/1354325491.db2.gz YBUVCILZCUVNBE-FZSIALSZSA-N 1 2 342.487 3.295 20 30 EGEDLO C=C(C)CC[N@H+]1Cc2cnn(C3CCN(C(=O)/C(C)=C/C)CC3)c2C1 ZINC001070344712 1354325493 /nfs/dbraw/zinc/32/54/93/1354325493.db2.gz YBUVCILZCUVNBE-FZSIALSZSA-N 1 2 342.487 3.295 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)c2cccs2)C[N@@H+]1Cc1ccc(C#N)s1 ZINC001071329283 1354594093 /nfs/dbraw/zinc/59/40/93/1354594093.db2.gz JJEJEEHBILWIOC-STQMWFEESA-N 1 2 345.493 3.464 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)c2cccs2)C[N@H+]1Cc1ccc(C#N)s1 ZINC001071329283 1354594098 /nfs/dbraw/zinc/59/40/98/1354594098.db2.gz JJEJEEHBILWIOC-STQMWFEESA-N 1 2 345.493 3.464 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2ccc(F)cc2F)CC[C@@H]1C ZINC001071523332 1354743928 /nfs/dbraw/zinc/74/39/28/1354743928.db2.gz XYRYMNUXWGLNTB-WFASDCNBSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2ccc(F)cc2F)CC[C@@H]1C ZINC001071523332 1354743931 /nfs/dbraw/zinc/74/39/31/1354743931.db2.gz XYRYMNUXWGLNTB-WFASDCNBSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2ccc(F)cc2F)CC[C@@H]1C ZINC001071523330 1354744508 /nfs/dbraw/zinc/74/45/08/1354744508.db2.gz XYRYMNUXWGLNTB-SWLSCSKDSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2ccc(F)cc2F)CC[C@@H]1C ZINC001071523330 1354744511 /nfs/dbraw/zinc/74/45/11/1354744511.db2.gz XYRYMNUXWGLNTB-SWLSCSKDSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C(C)(C)c2cc(C)ccn2)CC[C@H]1C ZINC001071608048 1354793116 /nfs/dbraw/zinc/79/31/16/1354793116.db2.gz UZNADPBLEPZWBE-CVEARBPZSA-N 1 2 349.906 3.389 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)c2cc(C)ccn2)CC[C@H]1C ZINC001071608048 1354793119 /nfs/dbraw/zinc/79/31/19/1354793119.db2.gz UZNADPBLEPZWBE-CVEARBPZSA-N 1 2 349.906 3.389 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)CC[C@@H]1C ZINC001071637926 1354817052 /nfs/dbraw/zinc/81/70/52/1354817052.db2.gz AMCITXQVPAALMC-STQMWFEESA-N 1 2 338.883 3.042 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)CC[C@@H]1C ZINC001071637926 1354817062 /nfs/dbraw/zinc/81/70/62/1354817062.db2.gz AMCITXQVPAALMC-STQMWFEESA-N 1 2 338.883 3.042 20 30 EGEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2scnc2C2CCCC2)CC[C@H]1C ZINC001071653244 1354828854 /nfs/dbraw/zinc/82/88/54/1354828854.db2.gz VKNRPBDHCBKCHS-HIFRSBDPSA-N 1 2 331.485 3.017 20 30 EGEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2scnc2C2CCCC2)CC[C@H]1C ZINC001071653244 1354828861 /nfs/dbraw/zinc/82/88/61/1354828861.db2.gz VKNRPBDHCBKCHS-HIFRSBDPSA-N 1 2 331.485 3.017 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc(F)ccc2OC)CC[C@H]1C ZINC001071725261 1354881595 /nfs/dbraw/zinc/88/15/95/1354881595.db2.gz SLZBMZGMSFVIOW-OCCSQVGLSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc(F)ccc2OC)CC[C@H]1C ZINC001071725261 1354881601 /nfs/dbraw/zinc/88/16/01/1354881601.db2.gz SLZBMZGMSFVIOW-OCCSQVGLSA-N 1 2 340.826 3.170 20 30 EGEDLO Cc1coc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC#Cc3ccccc3)C2)c1 ZINC001071747993 1354899460 /nfs/dbraw/zinc/89/94/60/1354899460.db2.gz KXUKCTUTOKZXND-PKOBYXMFSA-N 1 2 336.435 3.222 20 30 EGEDLO Cc1coc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC#Cc3ccccc3)C2)c1 ZINC001071747993 1354899471 /nfs/dbraw/zinc/89/94/71/1354899471.db2.gz KXUKCTUTOKZXND-PKOBYXMFSA-N 1 2 336.435 3.222 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2cc(C)ccc2F)CC[C@H]1C ZINC001072008582 1355071950 /nfs/dbraw/zinc/07/19/50/1355071950.db2.gz IQEUSYLYYSZVEO-ZBFHGGJFSA-N 1 2 338.854 3.398 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2cc(C)ccc2F)CC[C@H]1C ZINC001072008582 1355071955 /nfs/dbraw/zinc/07/19/55/1355071955.db2.gz IQEUSYLYYSZVEO-ZBFHGGJFSA-N 1 2 338.854 3.398 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccccc2OCC)CC[C@@H]1C ZINC001072036258 1355092998 /nfs/dbraw/zinc/09/29/98/1355092998.db2.gz AKPFUDAFKHFTKR-LSDHHAIUSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccccc2OCC)CC[C@@H]1C ZINC001072036258 1355093001 /nfs/dbraw/zinc/09/30/01/1355093001.db2.gz AKPFUDAFKHFTKR-LSDHHAIUSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc(C3CC3)cn2)CC[C@@H]1C ZINC001072037071 1355093786 /nfs/dbraw/zinc/09/37/86/1355093786.db2.gz JFOGQPPMOGCSCK-BBRMVZONSA-N 1 2 333.863 3.294 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C3CC3)cn2)CC[C@@H]1C ZINC001072037071 1355093790 /nfs/dbraw/zinc/09/37/90/1355093790.db2.gz JFOGQPPMOGCSCK-BBRMVZONSA-N 1 2 333.863 3.294 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc3c(c2)N(C)CC3)CC[C@H]1C ZINC001072040504 1355096675 /nfs/dbraw/zinc/09/66/75/1355096675.db2.gz LEHOYYTYPAGEEL-RHSMWYFYSA-N 1 2 347.890 3.014 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc3c(c2)N(C)CC3)CC[C@H]1C ZINC001072040504 1355096678 /nfs/dbraw/zinc/09/66/78/1355096678.db2.gz LEHOYYTYPAGEEL-RHSMWYFYSA-N 1 2 347.890 3.014 20 30 EGEDLO C/C=C(/C)C(=O)N1CC2(C1)CC[N@H+](CC#Cc1ccccc1Cl)C2 ZINC001072601396 1355353101 /nfs/dbraw/zinc/35/31/01/1355353101.db2.gz PLCSANAUQHTURD-XFQLMFQHSA-N 1 2 342.870 3.192 20 30 EGEDLO C/C=C(/C)C(=O)N1CC2(C1)CC[N@@H+](CC#Cc1ccccc1Cl)C2 ZINC001072601396 1355353105 /nfs/dbraw/zinc/35/31/05/1355353105.db2.gz PLCSANAUQHTURD-XFQLMFQHSA-N 1 2 342.870 3.192 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C/Cl)C2 ZINC001072944381 1355512888 /nfs/dbraw/zinc/51/28/88/1355512888.db2.gz AXCUZJUXHQKFQY-JEMSNHSXSA-N 1 2 331.287 3.442 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+](C/C(Cl)=C/Cl)C2 ZINC001072944381 1355512890 /nfs/dbraw/zinc/51/28/90/1355512890.db2.gz AXCUZJUXHQKFQY-JEMSNHSXSA-N 1 2 331.287 3.442 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCC[N@H+](CC3=CCCCC3)[C@@H]2C1 ZINC001074312634 1356163415 /nfs/dbraw/zinc/16/34/15/1356163415.db2.gz QAKRAJYUWZSUHP-MSOLQXFVSA-N 1 2 332.488 3.001 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCC[N@@H+](CC3=CCCCC3)[C@@H]2C1 ZINC001074312634 1356163417 /nfs/dbraw/zinc/16/34/17/1356163417.db2.gz QAKRAJYUWZSUHP-MSOLQXFVSA-N 1 2 332.488 3.001 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2OCC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001074315572 1356164964 /nfs/dbraw/zinc/16/49/64/1356164964.db2.gz YKALBFRUFFEORW-MOPGFXCFSA-N 1 2 342.483 3.091 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2OCC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001074315572 1356164966 /nfs/dbraw/zinc/16/49/66/1356164966.db2.gz YKALBFRUFFEORW-MOPGFXCFSA-N 1 2 342.483 3.091 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(Cl)ccc3C)C[C@H]21 ZINC001074356167 1356181556 /nfs/dbraw/zinc/18/15/56/1356181556.db2.gz FOGVVVROHLSPRQ-QZTJIDSGSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(Cl)ccc3C)C[C@H]21 ZINC001074356167 1356181559 /nfs/dbraw/zinc/18/15/59/1356181559.db2.gz FOGVVVROHLSPRQ-QZTJIDSGSA-N 1 2 348.874 3.140 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC2CCC2)C3)c1 ZINC001096914117 1362774045 /nfs/dbraw/zinc/77/40/45/1362774045.db2.gz HDOXPEQNEMTSFZ-QRQLOZEOSA-N 1 2 341.430 3.109 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC2CCC2)C3)c1 ZINC001096914117 1362774047 /nfs/dbraw/zinc/77/40/47/1362774047.db2.gz HDOXPEQNEMTSFZ-QRQLOZEOSA-N 1 2 341.430 3.109 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccccc3C)[C@@H]2C1 ZINC001075505087 1356413328 /nfs/dbraw/zinc/41/33/28/1356413328.db2.gz NJJOZLVMJBQCKT-GOEBONIOSA-N 1 2 349.272 3.050 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccccc3C)[C@@H]2C1 ZINC001075505087 1356413331 /nfs/dbraw/zinc/41/33/31/1356413331.db2.gz NJJOZLVMJBQCKT-GOEBONIOSA-N 1 2 349.272 3.050 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4[nH]ccc4c3)[C@@H]2C1 ZINC001076194859 1356517320 /nfs/dbraw/zinc/51/73/20/1356517320.db2.gz HGQUBUSANNAASH-DOTOQJQBSA-N 1 2 329.831 3.067 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4[nH]ccc4c3)[C@@H]2C1 ZINC001076194859 1356517323 /nfs/dbraw/zinc/51/73/23/1356517323.db2.gz HGQUBUSANNAASH-DOTOQJQBSA-N 1 2 329.831 3.067 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)OCC ZINC001098949208 1363536587 /nfs/dbraw/zinc/53/65/87/1363536587.db2.gz PWIHZJDLPHMYKG-CABCVRRESA-N 1 2 330.900 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)OCC ZINC001098949208 1363536591 /nfs/dbraw/zinc/53/65/91/1363536591.db2.gz PWIHZJDLPHMYKG-CABCVRRESA-N 1 2 330.900 3.161 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CCC(C(F)F)CC2)C1 ZINC001080868296 1357755243 /nfs/dbraw/zinc/75/52/43/1357755243.db2.gz RGQMFRCJZUPJFN-WKIYYKSKSA-N 1 2 334.838 3.247 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CCC(C(F)F)CC2)C1 ZINC001080868296 1357755246 /nfs/dbraw/zinc/75/52/46/1357755246.db2.gz RGQMFRCJZUPJFN-WKIYYKSKSA-N 1 2 334.838 3.247 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(c3ccccc3C)CC2)C1 ZINC001081046349 1357797195 /nfs/dbraw/zinc/79/71/95/1357797195.db2.gz DTUALDYWWRCUMZ-RHSMWYFYSA-N 1 2 332.875 3.216 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(c3ccccc3C)CC2)C1 ZINC001081046349 1357797197 /nfs/dbraw/zinc/79/71/97/1357797197.db2.gz DTUALDYWWRCUMZ-RHSMWYFYSA-N 1 2 332.875 3.216 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)cs3)C[C@H]21 ZINC001084630619 1358260824 /nfs/dbraw/zinc/26/08/24/1358260824.db2.gz NEAUYUPYVCKBPT-RKVPGOIHSA-N 1 2 333.501 3.087 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)cs3)C[C@H]21 ZINC001084630619 1358260826 /nfs/dbraw/zinc/26/08/26/1358260826.db2.gz NEAUYUPYVCKBPT-RKVPGOIHSA-N 1 2 333.501 3.087 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)sc3C)C[C@H]21 ZINC001084635150 1358263007 /nfs/dbraw/zinc/26/30/07/1358263007.db2.gz PUHHBMLXJPPNLD-SZVBFZGTSA-N 1 2 347.528 3.395 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)sc3C)C[C@H]21 ZINC001084635150 1358263009 /nfs/dbraw/zinc/26/30/09/1358263009.db2.gz PUHHBMLXJPPNLD-SZVBFZGTSA-N 1 2 347.528 3.395 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084643236 1358266901 /nfs/dbraw/zinc/26/69/01/1358266901.db2.gz YRSTYJGGBADIPY-HUYLIWGRSA-N 1 2 337.467 3.027 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084643236 1358266903 /nfs/dbraw/zinc/26/69/03/1358266903.db2.gz YRSTYJGGBADIPY-HUYLIWGRSA-N 1 2 337.467 3.027 20 30 EGEDLO CC[C@@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001084892072 1358341715 /nfs/dbraw/zinc/34/17/15/1358341715.db2.gz KEOQGMWQFYYQHN-CLCXKQKWSA-N 1 2 343.446 3.166 20 30 EGEDLO CC[C@@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001084892072 1358341720 /nfs/dbraw/zinc/34/17/20/1358341720.db2.gz KEOQGMWQFYYQHN-CLCXKQKWSA-N 1 2 343.446 3.166 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](Cc3cscn3)[C@H]2C1 ZINC001085024176 1358370815 /nfs/dbraw/zinc/37/08/15/1358370815.db2.gz AUCPBNDFSOITTB-HFTRVMKXSA-N 1 2 333.501 3.168 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cscn3)[C@H]2C1 ZINC001085024176 1358370817 /nfs/dbraw/zinc/37/08/17/1358370817.db2.gz AUCPBNDFSOITTB-HFTRVMKXSA-N 1 2 333.501 3.168 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(=O)c1ccccc1 ZINC001085461930 1358515721 /nfs/dbraw/zinc/51/57/21/1358515721.db2.gz RGOZQGBMNOZNAO-HXUWFJFHSA-N 1 2 336.410 3.024 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(=O)c1ccccc1 ZINC001085461930 1358515725 /nfs/dbraw/zinc/51/57/25/1358515725.db2.gz RGOZQGBMNOZNAO-HXUWFJFHSA-N 1 2 336.410 3.024 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1)C(=O)c1sccc1F ZINC001085583694 1358613310 /nfs/dbraw/zinc/61/33/10/1358613310.db2.gz OUJVFWKXXZGHEV-HNNXBMFYSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1)C(=O)c1sccc1F ZINC001085583694 1358613314 /nfs/dbraw/zinc/61/33/14/1358613314.db2.gz OUJVFWKXXZGHEV-HNNXBMFYSA-N 1 2 343.427 3.105 20 30 EGEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1oc2ccc(F)cc2c1C ZINC001085641300 1358655157 /nfs/dbraw/zinc/65/51/57/1358655157.db2.gz IQQJJMVESCRBOP-OAHLLOKOSA-N 1 2 328.387 3.050 20 30 EGEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1oc2ccc(F)cc2c1C ZINC001085641300 1358655161 /nfs/dbraw/zinc/65/51/61/1358655161.db2.gz IQQJJMVESCRBOP-OAHLLOKOSA-N 1 2 328.387 3.050 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)[C@@H]1CCC1(C)C ZINC001085775452 1358748342 /nfs/dbraw/zinc/74/83/42/1358748342.db2.gz WCNDJCGZIGABJY-IRXDYDNUSA-N 1 2 343.446 3.166 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)[C@@H]1CCC1(C)C ZINC001085775452 1358748345 /nfs/dbraw/zinc/74/83/45/1358748345.db2.gz WCNDJCGZIGABJY-IRXDYDNUSA-N 1 2 343.446 3.166 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)[C@H]1CCC1(C)C ZINC001085775451 1358748468 /nfs/dbraw/zinc/74/84/68/1358748468.db2.gz WCNDJCGZIGABJY-IAGOWNOFSA-N 1 2 343.446 3.166 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)[C@H]1CCC1(C)C ZINC001085775451 1358748469 /nfs/dbraw/zinc/74/84/69/1358748469.db2.gz WCNDJCGZIGABJY-IAGOWNOFSA-N 1 2 343.446 3.166 20 30 EGEDLO CCCc1[nH]ccc1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001085777896 1358752511 /nfs/dbraw/zinc/75/25/11/1358752511.db2.gz FXCADBXILSRAJT-IBGZPJMESA-N 1 2 349.478 3.165 20 30 EGEDLO CCCc1[nH]ccc1C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001085777896 1358752515 /nfs/dbraw/zinc/75/25/15/1358752515.db2.gz FXCADBXILSRAJT-IBGZPJMESA-N 1 2 349.478 3.165 20 30 EGEDLO CC(C)c1[nH]ccc1C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001085779197 1358752954 /nfs/dbraw/zinc/75/29/54/1358752954.db2.gz PTOKXDFWNPVZCF-LJQANCHMSA-N 1 2 349.478 3.336 20 30 EGEDLO CC(C)c1[nH]ccc1C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001085779197 1358752957 /nfs/dbraw/zinc/75/29/57/1358752957.db2.gz PTOKXDFWNPVZCF-LJQANCHMSA-N 1 2 349.478 3.336 20 30 EGEDLO CC(C)c1[nH]ccc1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001085779196 1358753815 /nfs/dbraw/zinc/75/38/15/1358753815.db2.gz PTOKXDFWNPVZCF-IBGZPJMESA-N 1 2 349.478 3.336 20 30 EGEDLO CC(C)c1[nH]ccc1C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001085779196 1358753820 /nfs/dbraw/zinc/75/38/20/1358753820.db2.gz PTOKXDFWNPVZCF-IBGZPJMESA-N 1 2 349.478 3.336 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC001085827897 1358796247 /nfs/dbraw/zinc/79/62/47/1358796247.db2.gz FQUUJDTXJPHQIZ-NZSAHSFTSA-N 1 2 344.886 3.270 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001085827897 1358796249 /nfs/dbraw/zinc/79/62/49/1358796249.db2.gz FQUUJDTXJPHQIZ-NZSAHSFTSA-N 1 2 344.886 3.270 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@H]1CC12CCCC2 ZINC001085909153 1358868435 /nfs/dbraw/zinc/86/84/35/1358868435.db2.gz BSIDUFPGEPTUHH-RBUKOAKNSA-N 1 2 337.467 3.171 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@H]1CC12CCCC2 ZINC001085909153 1358868442 /nfs/dbraw/zinc/86/84/42/1358868442.db2.gz BSIDUFPGEPTUHH-RBUKOAKNSA-N 1 2 337.467 3.171 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1CC12CCCC2 ZINC001085909489 1358869429 /nfs/dbraw/zinc/86/94/29/1358869429.db2.gz KSGOWKYSPPJBHF-PMACEKPBSA-N 1 2 336.479 3.151 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1CC12CCCC2 ZINC001085909489 1358869432 /nfs/dbraw/zinc/86/94/32/1358869432.db2.gz KSGOWKYSPPJBHF-PMACEKPBSA-N 1 2 336.479 3.151 20 30 EGEDLO CC(C)n1cccc1C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001085975461 1358930237 /nfs/dbraw/zinc/93/02/37/1358930237.db2.gz WWTVIIRDLFHKTB-HXUWFJFHSA-N 1 2 349.478 3.267 20 30 EGEDLO CC(C)n1cccc1C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001085975461 1358930241 /nfs/dbraw/zinc/93/02/41/1358930241.db2.gz WWTVIIRDLFHKTB-HXUWFJFHSA-N 1 2 349.478 3.267 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2coc(C)c2)[C@H]1CC ZINC001087553845 1359528590 /nfs/dbraw/zinc/52/85/90/1359528590.db2.gz BIBWNLMFPDHALX-UONOGXRCSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2coc(C)c2)[C@H]1CC ZINC001087553845 1359528591 /nfs/dbraw/zinc/52/85/91/1359528591.db2.gz BIBWNLMFPDHALX-UONOGXRCSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nccc(C)n3)[C@@H]2CC)CC1 ZINC001087713780 1359605944 /nfs/dbraw/zinc/60/59/44/1359605944.db2.gz JABLBEWGSCBKSX-ZWKOTPCHSA-N 1 2 342.487 3.001 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nccc(C)n3)[C@@H]2CC)CC1 ZINC001087713780 1359605945 /nfs/dbraw/zinc/60/59/45/1359605945.db2.gz JABLBEWGSCBKSX-ZWKOTPCHSA-N 1 2 342.487 3.001 20 30 EGEDLO CN(C)c1ncccc1C=[NH+]Nc1ccc(C#N)cc1C(F)(F)F ZINC001323617202 1387408525 /nfs/dbraw/zinc/40/85/25/1387408525.db2.gz GFQOXPCOJJKHER-UHFFFAOYSA-N 1 2 333.317 3.484 20 30 EGEDLO C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC001088380826 1359864220 /nfs/dbraw/zinc/86/42/20/1359864220.db2.gz PZPRBERVARESFF-NSHDSACASA-N 1 2 346.809 3.074 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C2CC(C)(C)C2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088550919 1359968508 /nfs/dbraw/zinc/96/85/08/1359968508.db2.gz AAJZZGFGCMUEJQ-ACJLOTCBSA-N 1 2 343.446 3.213 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C2CC(C)(C)C2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001088550919 1359968511 /nfs/dbraw/zinc/96/85/11/1359968511.db2.gz AAJZZGFGCMUEJQ-ACJLOTCBSA-N 1 2 343.446 3.213 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](c3ccccc3)O2)[C@H]1C ZINC001088572321 1359978355 /nfs/dbraw/zinc/97/83/55/1359978355.db2.gz HSSXYKIJPCTFEV-SPUZQDLCSA-N 1 2 348.874 3.238 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](c3ccccc3)O2)[C@H]1C ZINC001088572321 1359978359 /nfs/dbraw/zinc/97/83/59/1359978359.db2.gz HSSXYKIJPCTFEV-SPUZQDLCSA-N 1 2 348.874 3.238 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc3ncccc32)[C@H]1C ZINC001088781637 1360042695 /nfs/dbraw/zinc/04/26/95/1360042695.db2.gz YNJKKTOWKJXEQB-CJNGLKHVSA-N 1 2 329.831 3.180 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc3ncccc32)[C@H]1C ZINC001088781637 1360042700 /nfs/dbraw/zinc/04/27/00/1360042700.db2.gz YNJKKTOWKJXEQB-CJNGLKHVSA-N 1 2 329.831 3.180 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccnc(C(F)(F)F)c2)[C@H]1C ZINC001088957368 1360114748 /nfs/dbraw/zinc/11/47/48/1360114748.db2.gz YIERCUGZWAXQTM-PWSUYJOCSA-N 1 2 347.768 3.046 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccnc(C(F)(F)F)c2)[C@H]1C ZINC001088957368 1360114750 /nfs/dbraw/zinc/11/47/50/1360114750.db2.gz YIERCUGZWAXQTM-PWSUYJOCSA-N 1 2 347.768 3.046 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@H](C)N(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC001089129774 1360190873 /nfs/dbraw/zinc/19/08/73/1360190873.db2.gz RYTREWWNVKFPKH-GOEBONIOSA-N 1 2 342.487 3.104 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[C@H](C)N(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001089129101 1360191053 /nfs/dbraw/zinc/19/10/53/1360191053.db2.gz LQHRPTFAAVDZLW-HOTGVXAUSA-N 1 2 330.476 3.348 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)N(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001089159830 1360215787 /nfs/dbraw/zinc/21/57/87/1360215787.db2.gz WGWLWDCHCJMKHS-GDBMZVCRSA-N 1 2 342.487 3.348 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089168238 1360223089 /nfs/dbraw/zinc/22/30/89/1360223089.db2.gz QLFXLLUIGQTWAX-SUMWQHHRSA-N 1 2 344.503 3.478 20 30 EGEDLO Cc1cc(N[C@H](C)C[C@@H](C)NC(=O)C#CC(C)C)nc(C2CC2)[nH+]1 ZINC001089308582 1360327885 /nfs/dbraw/zinc/32/78/85/1360327885.db2.gz INEOENQVNTYCLG-ZIAGYGMSSA-N 1 2 328.460 3.017 20 30 EGEDLO CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC#Cc1ccccc1Cl ZINC001089598232 1360522339 /nfs/dbraw/zinc/52/23/39/1360522339.db2.gz AGAJKTIICNGSCX-KRWDZBQOSA-N 1 2 332.875 3.318 20 30 EGEDLO CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC#Cc1ccccc1Cl ZINC001089598232 1360522343 /nfs/dbraw/zinc/52/23/43/1360522343.db2.gz AGAJKTIICNGSCX-KRWDZBQOSA-N 1 2 332.875 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1c(C)noc1C ZINC001089608401 1360531179 /nfs/dbraw/zinc/53/11/79/1360531179.db2.gz YOWWVUMIVXLYMZ-CQSZACIVSA-N 1 2 339.867 3.264 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1c(C)noc1C ZINC001089608401 1360531181 /nfs/dbraw/zinc/53/11/81/1360531181.db2.gz YOWWVUMIVXLYMZ-CQSZACIVSA-N 1 2 339.867 3.264 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(C)nc1 ZINC001089610049 1360531745 /nfs/dbraw/zinc/53/17/45/1360531745.db2.gz OHWFNBSGHZPDNG-MRXNPFEDSA-N 1 2 335.879 3.363 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(C)nc1 ZINC001089610049 1360531746 /nfs/dbraw/zinc/53/17/46/1360531746.db2.gz OHWFNBSGHZPDNG-MRXNPFEDSA-N 1 2 335.879 3.363 20 30 EGEDLO C=CCCC1(C(=O)N2C[C@@H](C)[C@](C)(CNc3cc[nH+]c(C)n3)C2)CC1 ZINC001090258457 1360876251 /nfs/dbraw/zinc/87/62/51/1360876251.db2.gz QJFNKVNALGMHIB-DNVCBOLYSA-N 1 2 342.487 3.428 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H](CNc3cc[nH+]c(C)n3)[C@@H](C)C2)CCC1 ZINC001090280358 1360885774 /nfs/dbraw/zinc/88/57/74/1360885774.db2.gz JVICBJOPWZDOTN-RDJZCZTQSA-N 1 2 342.487 3.428 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001091004224 1360975064 /nfs/dbraw/zinc/97/50/64/1360975064.db2.gz GHOREMFLXIVWGP-CZUORRHYSA-N 1 2 328.460 3.278 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001091386973 1361073872 /nfs/dbraw/zinc/07/38/72/1361073872.db2.gz JKJFBPHDFRKGTM-GASCZTMLSA-N 1 2 342.487 3.183 20 30 EGEDLO Cc1cc(NC2CC(CNC(=O)C#CC(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC001092216360 1361325834 /nfs/dbraw/zinc/32/58/34/1361325834.db2.gz QNDWOZVJZTUVBT-UHFFFAOYSA-N 1 2 342.487 3.265 20 30 EGEDLO C=C(C)CCC(=O)NCC[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001092551474 1361410141 /nfs/dbraw/zinc/41/01/41/1361410141.db2.gz HGAVVPHWCNZBFF-RDTXWAMCSA-N 1 2 344.503 3.337 20 30 EGEDLO C=CCCCC(=O)NCC[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001092574711 1361415007 /nfs/dbraw/zinc/41/50/07/1361415007.db2.gz XGZDZQBXZNGDDQ-RDTXWAMCSA-N 1 2 344.503 3.337 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001092918502 1361487118 /nfs/dbraw/zinc/48/71/18/1361487118.db2.gz ZVYIYGLKULXRDQ-IKGGRYGDSA-N 1 2 342.487 3.176 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3c(C)cccc3F)CC2)C1 ZINC001093600714 1361655163 /nfs/dbraw/zinc/65/51/63/1361655163.db2.gz UYKRGVBPTWOSLQ-UHFFFAOYSA-N 1 2 346.446 3.016 20 30 EGEDLO C=CCC1(C(=O)NCCNc2nc(C)[nH+]c3c2CCCC3)CCCC1 ZINC001093716863 1361682872 /nfs/dbraw/zinc/68/28/72/1361682872.db2.gz WICRCRCNTZQCHH-UHFFFAOYSA-N 1 2 342.487 3.328 20 30 EGEDLO C=C(C)[C@@H](CC(=O)NCCCCCCNc1cc[nH+]c(C)n1)OCC ZINC001094977709 1361972490 /nfs/dbraw/zinc/97/24/90/1361972490.db2.gz VFMDVILJQBUUSD-QGZVFWFLSA-N 1 2 348.491 3.245 20 30 EGEDLO C=CCn1cccc1C(=O)NCCCCCCNc1cc[nH+]c(C)n1 ZINC001095005372 1361986269 /nfs/dbraw/zinc/98/62/69/1361986269.db2.gz MOOBCXIWAAIQJL-UHFFFAOYSA-N 1 2 341.459 3.175 20 30 EGEDLO CC(C)(F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001095096132 1362012122 /nfs/dbraw/zinc/01/21/22/1362012122.db2.gz DTMJWGBKESTEHB-IKGGRYGDSA-N 1 2 348.849 3.161 20 30 EGEDLO CC(C)(F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001095096132 1362012124 /nfs/dbraw/zinc/01/21/24/1362012124.db2.gz DTMJWGBKESTEHB-IKGGRYGDSA-N 1 2 348.849 3.161 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095379587 1362121803 /nfs/dbraw/zinc/12/18/03/1362121803.db2.gz JKTLTOAAYBAZJG-HXUWFJFHSA-N 1 2 344.503 3.337 20 30 EGEDLO C#CCCCCC(=O)NC1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001095402553 1362129470 /nfs/dbraw/zinc/12/94/70/1362129470.db2.gz STOLDAWFQXYRSU-UHFFFAOYSA-N 1 2 342.487 3.187 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095440405 1362141790 /nfs/dbraw/zinc/14/17/90/1362141790.db2.gz IVVVHOYXUKNVOH-CQSZACIVSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NC1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001095442889 1362142661 /nfs/dbraw/zinc/14/26/61/1362142661.db2.gz PYPFNQQCASRFPF-ZBFHGGJFSA-N 1 2 344.503 3.452 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC(F)(F)C1)C2 ZINC001095509393 1362159117 /nfs/dbraw/zinc/15/91/17/1362159117.db2.gz ZWXRBHWEFKREGM-MQYQWHSLSA-N 1 2 332.822 3.286 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC(F)(F)C1)C2 ZINC001095509393 1362159119 /nfs/dbraw/zinc/15/91/19/1362159119.db2.gz ZWXRBHWEFKREGM-MQYQWHSLSA-N 1 2 332.822 3.286 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)c1cc(C)ccn1)C2 ZINC001095611187 1362184789 /nfs/dbraw/zinc/18/47/89/1362184789.db2.gz INHPJULZZZPGQT-PMPSAXMXSA-N 1 2 347.890 3.142 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)c1cc(C)ccn1)C2 ZINC001095611187 1362184792 /nfs/dbraw/zinc/18/47/92/1362184792.db2.gz INHPJULZZZPGQT-PMPSAXMXSA-N 1 2 347.890 3.142 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCCN(c1nc(C)[nH+]c(C)c1C)C1CC1 ZINC001096066014 1362362177 /nfs/dbraw/zinc/36/21/77/1362362177.db2.gz QBFHRWZTJCTIBO-UONOGXRCSA-N 1 2 344.503 3.335 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001096181673 1362418060 /nfs/dbraw/zinc/41/80/60/1362418060.db2.gz FDLUOLDJMXJRTP-QGZVFWFLSA-N 1 2 342.487 3.397 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3cccnc3c1)C2 ZINC001096197031 1362426415 /nfs/dbraw/zinc/42/64/15/1362426415.db2.gz QHDKFHUIBVFAPB-NJAFHUGGSA-N 1 2 341.842 3.322 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3cccnc3c1)C2 ZINC001096197031 1362426419 /nfs/dbraw/zinc/42/64/19/1362426419.db2.gz QHDKFHUIBVFAPB-NJAFHUGGSA-N 1 2 341.842 3.322 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001096225101 1362441780 /nfs/dbraw/zinc/44/17/80/1362441780.db2.gz WRXATTSPKNLGRR-GOSISDBHSA-N 1 2 342.487 3.071 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ccc3ccccc31)C2 ZINC001096568846 1362583272 /nfs/dbraw/zinc/58/32/72/1362583272.db2.gz VGOFHISMINOEGF-RYRKJORJSA-N 1 2 343.858 3.115 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ccc3ccccc31)C2 ZINC001096568846 1362583273 /nfs/dbraw/zinc/58/32/73/1362583273.db2.gz VGOFHISMINOEGF-RYRKJORJSA-N 1 2 343.858 3.115 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001096972222 1362799169 /nfs/dbraw/zinc/79/91/69/1362799169.db2.gz NOKDLYDJKRMWSD-CVEARBPZSA-N 1 2 342.487 3.279 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097088683 1362838018 /nfs/dbraw/zinc/83/80/18/1362838018.db2.gz PYOVRCFQFXANET-DAXOMENPSA-N 1 2 328.460 3.324 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001097094451 1362840108 /nfs/dbraw/zinc/84/01/08/1362840108.db2.gz OZNUJTCJTDWKSL-UKMLZYKCSA-N 1 2 330.476 3.426 20 30 EGEDLO C#CC[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001097193718 1362880944 /nfs/dbraw/zinc/88/09/44/1362880944.db2.gz IYTQWZUMJTXRCN-GBESFXJTSA-N 1 2 348.450 3.041 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097244705 1362900125 /nfs/dbraw/zinc/90/01/25/1362900125.db2.gz NFHTUCNNDJCKMX-CWRNSKLLSA-N 1 2 328.460 3.324 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097244780 1362900161 /nfs/dbraw/zinc/90/01/61/1362900161.db2.gz PYOVRCFQFXANET-VBNZEHGJSA-N 1 2 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1367227867 /nfs/dbraw/zinc/22/78/67/1367227867.db2.gz NGFFMESTKZXFDC-JXFKEZNVSA-N 1 2 348.462 3.450 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@]1(C)C[N@@H+]([C@@H](C)c2cccc(F)c2)CCO1 ZINC001107977527 1367227871 /nfs/dbraw/zinc/22/78/71/1367227871.db2.gz NGFFMESTKZXFDC-JXFKEZNVSA-N 1 2 348.462 3.450 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(Cl)sc2Cl)C1 ZINC001107997782 1367235111 /nfs/dbraw/zinc/23/51/11/1367235111.db2.gz CZTKUYKZKGHIIT-CQSZACIVSA-N 1 2 349.283 3.062 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(Cl)sc2Cl)C1 ZINC001107997782 1367235112 /nfs/dbraw/zinc/23/51/12/1367235112.db2.gz CZTKUYKZKGHIIT-CQSZACIVSA-N 1 2 349.283 3.062 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC001190397796 1367253241 /nfs/dbraw/zinc/25/32/41/1367253241.db2.gz OYQQXNYTAIGCDP-HNNXBMFYSA-N 1 2 345.487 3.188 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC001190397796 1367253251 /nfs/dbraw/zinc/25/32/51/1367253251.db2.gz OYQQXNYTAIGCDP-HNNXBMFYSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CCC)c1ccccn1)C2 ZINC001109644927 1367260419 /nfs/dbraw/zinc/26/04/19/1367260419.db2.gz JHQAFAPOQDENTI-FZCLSBEQSA-N 1 2 347.890 3.439 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CCC)c1ccccn1)C2 ZINC001109644927 1367260424 /nfs/dbraw/zinc/26/04/24/1367260424.db2.gz JHQAFAPOQDENTI-FZCLSBEQSA-N 1 2 347.890 3.439 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(C)c(F)c2)CCO1 ZINC001108121702 1367290925 /nfs/dbraw/zinc/29/09/25/1367290925.db2.gz FDLQSANROYBRME-FQEVSTJZSA-N 1 2 348.462 3.053 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(C)c(F)c2)CCO1 ZINC001108121702 1367290930 /nfs/dbraw/zinc/29/09/30/1367290930.db2.gz FDLQSANROYBRME-FQEVSTJZSA-N 1 2 348.462 3.053 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@]1(C)C[N@H+](Cc2ccc(C)c(F)c2)CCO1 ZINC001108121703 1367291639 /nfs/dbraw/zinc/29/16/39/1367291639.db2.gz FDLQSANROYBRME-HXUWFJFHSA-N 1 2 348.462 3.053 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(C)c(F)c2)CCO1 ZINC001108121703 1367291640 /nfs/dbraw/zinc/29/16/40/1367291640.db2.gz FDLQSANROYBRME-HXUWFJFHSA-N 1 2 348.462 3.053 20 30 EGEDLO C=CCCCC(=O)NC[C@]1(C)C[N@H+]([C@@H](C)c2cccc(F)c2)CCO1 ZINC001108173384 1367323871 /nfs/dbraw/zinc/32/38/71/1367323871.db2.gz PMQQSAHMDXDKSO-OXJNMPFZSA-N 1 2 348.462 3.450 20 30 EGEDLO C=CCCCC(=O)NC[C@]1(C)C[N@@H+]([C@@H](C)c2cccc(F)c2)CCO1 ZINC001108173384 1367323877 /nfs/dbraw/zinc/32/38/77/1367323877.db2.gz PMQQSAHMDXDKSO-OXJNMPFZSA-N 1 2 348.462 3.450 20 30 EGEDLO C=C[C@H](C(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C1CC1)c1ccccc1 ZINC001109857442 1367362187 /nfs/dbraw/zinc/36/21/87/1367362187.db2.gz RVNUWIHHVBNDNT-ROUUACIJSA-N 1 2 336.439 3.062 20 30 EGEDLO C#CCCCC(=O)N[C@@H](C)CNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001108336053 1367395811 /nfs/dbraw/zinc/39/58/11/1367395811.db2.gz QAMPWFBCDBVKGU-HNNXBMFYSA-N 1 2 330.476 3.444 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC(C)(C)C2CCCCC2)C1 ZINC001108342068 1367400564 /nfs/dbraw/zinc/40/05/64/1367400564.db2.gz BTHYPQIEWOEDKF-NRFANRHFSA-N 1 2 348.531 3.213 20 30 EGEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CC(C)(C)C2CCCCC2)C1 ZINC001108342068 1367400567 /nfs/dbraw/zinc/40/05/67/1367400567.db2.gz BTHYPQIEWOEDKF-NRFANRHFSA-N 1 2 348.531 3.213 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCCc2cc(C)ccc2C)C1 ZINC001108414321 1367442687 /nfs/dbraw/zinc/44/26/87/1367442687.db2.gz KNEWOYZYZSGEND-OAQYLSRUSA-N 1 2 344.499 3.019 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCCc2cc(C)ccc2C)C1 ZINC001108414321 1367442688 /nfs/dbraw/zinc/44/26/88/1367442688.db2.gz KNEWOYZYZSGEND-OAQYLSRUSA-N 1 2 344.499 3.019 20 30 EGEDLO C=CCCOCC(=O)N[C@@H](C)CNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001108416541 1367443513 /nfs/dbraw/zinc/44/35/13/1367443513.db2.gz YTEQRIVJKRPBHL-HNNXBMFYSA-N 1 2 348.491 3.233 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CC(C)(C)CO1)C2 ZINC001110039421 1367477722 /nfs/dbraw/zinc/47/77/22/1367477722.db2.gz GBMAIIHZORIMKM-WCVJEAGWSA-N 1 2 340.895 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CC(C)(C)CO1)C2 ZINC001110039421 1367477728 /nfs/dbraw/zinc/47/77/28/1367477728.db2.gz GBMAIIHZORIMKM-WCVJEAGWSA-N 1 2 340.895 3.056 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001108627658 1367506593 /nfs/dbraw/zinc/50/65/93/1367506593.db2.gz ZBBNZKTYAVPOIE-HNAYVOBHSA-N 1 2 348.491 3.054 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001108659001 1367518780 /nfs/dbraw/zinc/51/87/80/1367518780.db2.gz MQGJLYZQXYPLLA-ZFWWWQNUSA-N 1 2 330.476 3.183 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC001191763234 1367579954 /nfs/dbraw/zinc/57/99/54/1367579954.db2.gz JVJRHSSOGKUGLW-IBGZPJMESA-N 1 2 344.503 3.080 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC001191763234 1367579957 /nfs/dbraw/zinc/57/99/57/1367579957.db2.gz JVJRHSSOGKUGLW-IBGZPJMESA-N 1 2 344.503 3.080 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC001191763236 1367579993 /nfs/dbraw/zinc/57/99/93/1367579993.db2.gz JVJRHSSOGKUGLW-LJQANCHMSA-N 1 2 344.503 3.080 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC001191763236 1367579998 /nfs/dbraw/zinc/57/99/98/1367579998.db2.gz JVJRHSSOGKUGLW-LJQANCHMSA-N 1 2 344.503 3.080 20 30 EGEDLO C=C/C(C)=C\CC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001191788787 1367587801 /nfs/dbraw/zinc/58/78/01/1367587801.db2.gz AJCYXOJAVIABTR-WFNYAPQQSA-N 1 2 341.430 3.252 20 30 EGEDLO C=C/C(C)=C\CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001191788787 1367587807 /nfs/dbraw/zinc/58/78/07/1367587807.db2.gz AJCYXOJAVIABTR-WFNYAPQQSA-N 1 2 341.430 3.252 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001192072908 1367680742 /nfs/dbraw/zinc/68/07/42/1367680742.db2.gz MYLQEJYKDDSPPT-SFHVURJKSA-N 1 2 329.419 3.086 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001192072908 1367680747 /nfs/dbraw/zinc/68/07/47/1367680747.db2.gz MYLQEJYKDDSPPT-SFHVURJKSA-N 1 2 329.419 3.086 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001110447447 1367730143 /nfs/dbraw/zinc/73/01/43/1367730143.db2.gz DPRMZGVLFIPWDK-DFBGVHRSSA-N 1 2 333.432 3.105 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001110447447 1367730146 /nfs/dbraw/zinc/73/01/46/1367730146.db2.gz DPRMZGVLFIPWDK-DFBGVHRSSA-N 1 2 333.432 3.105 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110447706 1367731531 /nfs/dbraw/zinc/73/15/31/1367731531.db2.gz QBUSYIFDZPXKRU-OIISXLGYSA-N 1 2 345.393 3.182 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110447706 1367731534 /nfs/dbraw/zinc/73/15/34/1367731534.db2.gz QBUSYIFDZPXKRU-OIISXLGYSA-N 1 2 345.393 3.182 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@H](C)CN(C)c1nc(C)[nH+]c(C)c1C ZINC001109108000 1367774613 /nfs/dbraw/zinc/77/46/13/1367774613.db2.gz KPZWUDHNIBRYJX-SNVBAGLBSA-N 1 2 338.883 3.121 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1Cl ZINC001110534361 1367813869 /nfs/dbraw/zinc/81/38/69/1367813869.db2.gz XYTUDXTYTRESAB-OIISXLGYSA-N 1 2 348.849 3.360 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1Cl ZINC001110534361 1367813872 /nfs/dbraw/zinc/81/38/72/1367813872.db2.gz XYTUDXTYTRESAB-OIISXLGYSA-N 1 2 348.849 3.360 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC1(C)CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001110605258 1367868192 /nfs/dbraw/zinc/86/81/92/1367868192.db2.gz JEODMAKCABUOIL-KRWDZBQOSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NC1(C)CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001110606963 1367870018 /nfs/dbraw/zinc/87/00/18/1367870018.db2.gz WTJBPFVNSIGZBW-KGLIPLIRSA-N 1 2 344.503 3.335 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H](CNc1cc[nH+]c(C)n1)C1CCCC1 ZINC001110675852 1367917255 /nfs/dbraw/zinc/91/72/55/1367917255.db2.gz ISVLLVWNTRASCE-VQIMIIECSA-N 1 2 330.476 3.474 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@]1(C)CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001110809302 1368003805 /nfs/dbraw/zinc/00/38/05/1368003805.db2.gz KNSSJQBRZWICEO-APWZRJJASA-N 1 2 330.476 3.089 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1nc(C)[nH+]c(C)c1C ZINC001111398465 1368295145 /nfs/dbraw/zinc/29/51/45/1368295145.db2.gz YUPJFOOBBICDBU-QZTJIDSGSA-N 1 2 342.487 3.328 20 30 EGEDLO C=CCCC(=O)N1CC[C@H](CCNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001111597198 1368361731 /nfs/dbraw/zinc/36/17/31/1368361731.db2.gz SYBNQXDRBQHCAM-INIZCTEOSA-N 1 2 342.487 3.281 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N[C@H]1CC[C@H](CNc2cc[nH+]c(C)n2)CC1 ZINC001111645261 1368408730 /nfs/dbraw/zinc/40/87/30/1368408730.db2.gz DXRFHFKJIMPDGD-OTRWWLKZSA-N 1 2 330.476 3.330 20 30 EGEDLO C#CCCCCC(=O)N1CCC[N@@H+](Cc2cc(F)ccc2F)CC1 ZINC001195540703 1368451294 /nfs/dbraw/zinc/45/12/94/1368451294.db2.gz DIUYYFXLLTVWSQ-UHFFFAOYSA-N 1 2 334.410 3.193 20 30 EGEDLO C#CCCCCC(=O)N1CCC[N@H+](Cc2cc(F)ccc2F)CC1 ZINC001195540703 1368451299 /nfs/dbraw/zinc/45/12/99/1368451299.db2.gz DIUYYFXLLTVWSQ-UHFFFAOYSA-N 1 2 334.410 3.193 20 30 EGEDLO CC[C@@H](C)CC(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001195666698 1368467607 /nfs/dbraw/zinc/46/76/07/1368467607.db2.gz BECKBMNBLJBEOW-OAHLLOKOSA-N 1 2 331.435 3.168 20 30 EGEDLO CC[C@@H](C)CC(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001195666698 1368467612 /nfs/dbraw/zinc/46/76/12/1368467612.db2.gz BECKBMNBLJBEOW-OAHLLOKOSA-N 1 2 331.435 3.168 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001196011136 1368535191 /nfs/dbraw/zinc/53/51/91/1368535191.db2.gz ZQNWUTSCLLJLTG-UHFFFAOYSA-N 1 2 329.419 3.088 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001196011136 1368535194 /nfs/dbraw/zinc/53/51/94/1368535194.db2.gz ZQNWUTSCLLJLTG-UHFFFAOYSA-N 1 2 329.419 3.088 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CCCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC001112010310 1368614257 /nfs/dbraw/zinc/61/42/57/1368614257.db2.gz JUOUOYIXLKQWKS-MRXNPFEDSA-N 1 2 328.460 3.007 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@@]2(CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001112218103 1368727098 /nfs/dbraw/zinc/72/70/98/1368727098.db2.gz RXAFSJXQIUKZRI-FQEVSTJZSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001112386103 1368815309 /nfs/dbraw/zinc/81/53/09/1368815309.db2.gz PAVKDLXNGVJFSV-OAHLLOKOSA-N 1 2 330.476 3.108 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C[C@@H]1C ZINC001112428231 1368842356 /nfs/dbraw/zinc/84/23/56/1368842356.db2.gz DDGUYKCAAGILSQ-GUYCJALGSA-N 1 2 344.503 3.335 20 30 EGEDLO CC[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC001197586716 1368845439 /nfs/dbraw/zinc/84/54/39/1368845439.db2.gz KJLBOHBQRHJTLD-RBUKOAKNSA-N 1 2 326.484 3.255 20 30 EGEDLO CC[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001197586716 1368845441 /nfs/dbraw/zinc/84/54/41/1368845441.db2.gz KJLBOHBQRHJTLD-RBUKOAKNSA-N 1 2 326.484 3.255 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H](C)C1 ZINC001112473690 1368873049 /nfs/dbraw/zinc/87/30/49/1368873049.db2.gz ICAFTPGLFIMCBL-KBXCAEBGSA-N 1 2 342.487 3.069 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@H](C)C1 ZINC001112494743 1368891100 /nfs/dbraw/zinc/89/11/00/1368891100.db2.gz JHDQRCNDKHYSOY-KDOFPFPSSA-N 1 2 342.487 3.069 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CCOc2cccc(C)c2)CC1 ZINC001198086205 1368957463 /nfs/dbraw/zinc/95/74/63/1368957463.db2.gz XNFWZBWWOIMAKK-UHFFFAOYSA-N 1 2 336.863 3.051 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CCOc2cccc(C)c2)CC1 ZINC001198086205 1368957468 /nfs/dbraw/zinc/95/74/68/1368957468.db2.gz XNFWZBWWOIMAKK-UHFFFAOYSA-N 1 2 336.863 3.051 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1cc[nH+]c(C)n1 ZINC001112777085 1368997553 /nfs/dbraw/zinc/99/75/53/1368997553.db2.gz FQSSDQSOYZFMPY-SJLPKXTDSA-N 1 2 336.439 3.191 20 30 EGEDLO CCCCCCC[NH+]1CCN(C(=O)c2cnc(CC(C)C)[nH]2)CC1 ZINC001112852023 1369047498 /nfs/dbraw/zinc/04/74/98/1369047498.db2.gz MKMPAKBLILFQMS-UHFFFAOYSA-N 1 2 334.508 3.336 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[NH+](Cc2cccc(COC)c2)CC1 ZINC001112893671 1369075029 /nfs/dbraw/zinc/07/50/29/1369075029.db2.gz WMUXYZXGEJZKAM-UHFFFAOYSA-N 1 2 330.472 3.080 20 30 EGEDLO C=C(C)CCC(=O)N1CC[NH+](CCOc2cc(C)ccc2C)CC1 ZINC001112904002 1369082519 /nfs/dbraw/zinc/08/25/19/1369082519.db2.gz ARFCHPMATQZVLD-UHFFFAOYSA-N 1 2 330.472 3.183 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)Cc1ccoc1)c1ccccc1OC ZINC001198686863 1369091404 /nfs/dbraw/zinc/09/14/04/1369091404.db2.gz TWJQEHYKGXTJMD-INIZCTEOSA-N 1 2 348.830 3.030 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)c1ccccc1OC ZINC001198931602 1369151665 /nfs/dbraw/zinc/15/16/65/1369151665.db2.gz BLTVYIHGPPKFGI-GVDBMIGSSA-N 1 2 348.874 3.241 20 30 EGEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc3cccc(C)c3s2)CC1 ZINC001113032802 1369153814 /nfs/dbraw/zinc/15/38/14/1369153814.db2.gz HWXXHUHSBLMWJQ-UHFFFAOYSA-N 1 2 344.480 3.170 20 30 EGEDLO C#CCC1(C(=O)N[C@@H](C)[C@@H](C)Nc2cc[nH+]c(C)n2)CCCCC1 ZINC001113079736 1369186476 /nfs/dbraw/zinc/18/64/76/1369186476.db2.gz PBDHJVBIJYOJRT-CABCVRRESA-N 1 2 328.460 3.064 20 30 EGEDLO C#CCC1(C(=O)N[C@@H](C)[C@H](C)Nc2cc[nH+]c(C)n2)CCCCC1 ZINC001113079737 1369186690 /nfs/dbraw/zinc/18/66/90/1369186690.db2.gz PBDHJVBIJYOJRT-GJZGRUSLSA-N 1 2 328.460 3.064 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC001113158838 1369234168 /nfs/dbraw/zinc/23/41/68/1369234168.db2.gz NKKUROMYNMSBLZ-UZLBHIALSA-N 1 2 348.462 3.260 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC001113164287 1369237233 /nfs/dbraw/zinc/23/72/33/1369237233.db2.gz KLULANAOFJJUGO-FQEVSTJZSA-N 1 2 348.462 3.007 20 30 EGEDLO C#CCC1(C(=O)N[C@@H](C)[C@@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001113181654 1369249432 /nfs/dbraw/zinc/24/94/32/1369249432.db2.gz ZVTSTCPDTFNFOT-CABCVRRESA-N 1 2 340.471 3.161 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC001113248433 1369290659 /nfs/dbraw/zinc/29/06/59/1369290659.db2.gz ZEHOMNMQEGAFQE-KRWDZBQOSA-N 1 2 330.472 3.250 20 30 EGEDLO CC#CCCCC(=O)N[C@@H](C)[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001113262766 1369299239 /nfs/dbraw/zinc/29/92/39/1369299239.db2.gz XYJGBZCFJZJJSZ-GJZGRUSLSA-N 1 2 342.487 3.163 20 30 EGEDLO C=CCNC(=S)NC[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001200298945 1369343673 /nfs/dbraw/zinc/34/36/73/1369343673.db2.gz DBBRKWCHXGDTHA-CYBMUJFWSA-N 1 2 332.300 3.246 20 30 EGEDLO CC(C)C[C@H](C)CC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001113526755 1369477000 /nfs/dbraw/zinc/47/70/00/1369477000.db2.gz KKRZPQCHBDODBC-KRWDZBQOSA-N 1 2 327.472 3.275 20 30 EGEDLO C=CCOCC[NH+]1CCN(C(=O)c2coc3ccc(Cl)cc23)CC1 ZINC001113592258 1369505116 /nfs/dbraw/zinc/50/51/16/1369505116.db2.gz DHFHREDVGUXVCA-UHFFFAOYSA-N 1 2 348.830 3.047 20 30 EGEDLO CCCCCCC(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001113603558 1369512603 /nfs/dbraw/zinc/51/26/03/1369512603.db2.gz OMSVDBDVMGVCLY-UHFFFAOYSA-N 1 2 343.471 3.204 20 30 EGEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc3c(cccc3F)s2)CC1 ZINC001113616064 1369522669 /nfs/dbraw/zinc/52/26/69/1369522669.db2.gz OOEDRVVFROQXND-UHFFFAOYSA-N 1 2 348.443 3.001 20 30 EGEDLO C=CCCOCC(=O)N1CC[NH+]([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC001113708942 1369579121 /nfs/dbraw/zinc/57/91/21/1369579121.db2.gz FJNAXLHJTDUDAM-GOSISDBHSA-N 1 2 348.874 3.064 20 30 EGEDLO C=CCO[C@H](C)C(=O)N1CC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC001113713027 1369581666 /nfs/dbraw/zinc/58/16/66/1369581666.db2.gz JWQIYISYIXBRQS-KDOFPFPSSA-N 1 2 348.874 3.063 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001113822148 1369623644 /nfs/dbraw/zinc/62/36/44/1369623644.db2.gz LUZOSJXPFGQBTH-ZFWWWQNUSA-N 1 2 330.476 3.206 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@H](C)N(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001113850927 1369632971 /nfs/dbraw/zinc/63/29/71/1369632971.db2.gz CNDFYLIEBSYZMY-XOBRGWDASA-N 1 2 344.503 3.207 20 30 EGEDLO COc1ccccc1NC(=O)Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001202114084 1369690240 /nfs/dbraw/zinc/69/02/40/1369690240.db2.gz YKKRECWKFSYZMU-UHFFFAOYSA-N 1 2 342.424 3.260 20 30 EGEDLO COc1ccccc1NC(=O)Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001202114084 1369690242 /nfs/dbraw/zinc/69/02/42/1369690242.db2.gz YKKRECWKFSYZMU-UHFFFAOYSA-N 1 2 342.424 3.260 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CN(c2nc(C)[nH+]c(C)c2C)CC[C@@H]1C ZINC001114046009 1369700568 /nfs/dbraw/zinc/70/05/68/1369700568.db2.gz IXZPCSJAHSWKOH-GUYCJALGSA-N 1 2 330.476 3.089 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)CC[C@H]1C ZINC001114046439 1369700995 /nfs/dbraw/zinc/70/09/95/1369700995.db2.gz PFDZVIHQCBAODM-CXAGYDPISA-N 1 2 344.503 3.335 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)CC[C@H]1C ZINC001114053186 1369706562 /nfs/dbraw/zinc/70/65/62/1369706562.db2.gz WXRBLEGJFFNBCL-CJNGLKHVSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N(C)CC[C@@H](Nc1cc[nH+]c(C)n1)C(C)C ZINC001114090131 1369729146 /nfs/dbraw/zinc/72/91/46/1369729146.db2.gz YTIUHNFZAWVYQK-DOTOQJQBSA-N 1 2 348.491 3.051 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001114470853 1369963001 /nfs/dbraw/zinc/96/30/01/1369963001.db2.gz RWSBJKZLGKPOBF-INIZCTEOSA-N 1 2 344.503 3.335 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC001114723058 1370046139 /nfs/dbraw/zinc/04/61/39/1370046139.db2.gz RTRMRXBXARYFLU-KBEGMRNHSA-N 1 2 347.528 3.244 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC001114723058 1370046141 /nfs/dbraw/zinc/04/61/41/1370046141.db2.gz RTRMRXBXARYFLU-KBEGMRNHSA-N 1 2 347.528 3.244 20 30 EGEDLO N#Cc1ccc(C=CNc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001203305819 1370073743 /nfs/dbraw/zinc/07/37/43/1370073743.db2.gz QQDZKDMSFAOOTG-CMDGGOBGSA-N 1 2 349.434 3.352 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]([NH2+]CC(F)(F)C(F)F)C23CCC3)C1 ZINC001203376639 1370105780 /nfs/dbraw/zinc/10/57/80/1370105780.db2.gz XVXOZZDEFGNTOF-RYUDHWBXSA-N 1 2 348.384 3.260 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@](C)(CC)CCC ZINC001115028236 1370223507 /nfs/dbraw/zinc/22/35/07/1370223507.db2.gz JZNLFEPFHILOQD-NHIYQJMISA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@](C)(CC)CCC ZINC001115028236 1370223508 /nfs/dbraw/zinc/22/35/08/1370223508.db2.gz JZNLFEPFHILOQD-NHIYQJMISA-N 1 2 343.309 3.158 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ncc(C)o4)C[C@H]32)CCCCC1 ZINC001115278127 1370356414 /nfs/dbraw/zinc/35/64/14/1370356414.db2.gz NIDKDUCPIVVVDM-VQFNDLOPSA-N 1 2 343.471 3.056 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ncc(C)o4)C[C@H]32)CCCCC1 ZINC001115278127 1370356419 /nfs/dbraw/zinc/35/64/19/1370356419.db2.gz NIDKDUCPIVVVDM-VQFNDLOPSA-N 1 2 343.471 3.056 20 30 EGEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccc(SC)cc1)CC2 ZINC001204139524 1370387962 /nfs/dbraw/zinc/38/79/62/1370387962.db2.gz LDGJPLFQYOLZGJ-UHFFFAOYSA-N 1 2 343.496 3.403 20 30 EGEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccc(SC)cc1)CC2 ZINC001204139524 1370387966 /nfs/dbraw/zinc/38/79/66/1370387966.db2.gz LDGJPLFQYOLZGJ-UHFFFAOYSA-N 1 2 343.496 3.403 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(C(CC)CC)n3)C[C@H]21 ZINC001187233609 1388078441 /nfs/dbraw/zinc/07/84/41/1388078441.db2.gz VITZJPIWFRWJBJ-QFBILLFUSA-N 1 2 344.503 3.243 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](Cc3ccn(C(CC)CC)n3)C[C@H]21 ZINC001187233609 1388078444 /nfs/dbraw/zinc/07/84/44/1388078444.db2.gz VITZJPIWFRWJBJ-QFBILLFUSA-N 1 2 344.503 3.243 20 30 EGEDLO O=C(CC#Cc1ccccc1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC001116269496 1370874071 /nfs/dbraw/zinc/87/40/71/1370874071.db2.gz DFNBRFLFGKKTHP-UHFFFAOYSA-N 1 2 345.402 3.342 20 30 EGEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1c(Cl)nc2ccccn21 ZINC001117391624 1371041076 /nfs/dbraw/zinc/04/10/76/1371041076.db2.gz JXDURELBMLMMNC-CMDGGOBGSA-N 1 2 326.787 3.345 20 30 EGEDLO COc1cnccc1C[NH+]1CCC(C#N)(c2ccccc2F)CC1 ZINC001206500327 1371074510 /nfs/dbraw/zinc/07/45/10/1371074510.db2.gz TXCMEIDYKKLDBJ-UHFFFAOYSA-N 1 2 325.387 3.287 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3cccs3)on2)C[C@H]1C ZINC001206501796 1371074575 /nfs/dbraw/zinc/07/45/75/1371074575.db2.gz GUEXXKHRZLALBS-UKRRQHHQSA-N 1 2 345.468 3.306 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cc(-c3cccs3)on2)C[C@H]1C ZINC001206501796 1371074577 /nfs/dbraw/zinc/07/45/77/1371074577.db2.gz GUEXXKHRZLALBS-UKRRQHHQSA-N 1 2 345.468 3.306 20 30 EGEDLO COc1cc(-c2ccc(C[NH+]3CCOCC3)cc2F)ccc1CC#N ZINC001206712471 1371142554 /nfs/dbraw/zinc/14/25/54/1371142554.db2.gz PIRYLQYDIBENPT-UHFFFAOYSA-N 1 2 340.398 3.400 20 30 EGEDLO CC/C(C)=C\C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206936345 1371232780 /nfs/dbraw/zinc/23/27/80/1371232780.db2.gz RFAGNKAYSXXBRK-MWPJJREVSA-N 1 2 344.886 3.484 20 30 EGEDLO CC/C(C)=C\C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206936345 1371232783 /nfs/dbraw/zinc/23/27/83/1371232783.db2.gz RFAGNKAYSXXBRK-MWPJJREVSA-N 1 2 344.886 3.484 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(Cl)c2)C[C@H]1C ZINC001206938030 1371234208 /nfs/dbraw/zinc/23/42/08/1371234208.db2.gz DSDXNHCDBXHWAL-CXAGYDPISA-N 1 2 336.838 3.075 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(Cl)c2)C[C@H]1C ZINC001206938030 1371234211 /nfs/dbraw/zinc/23/42/11/1371234211.db2.gz DSDXNHCDBXHWAL-CXAGYDPISA-N 1 2 336.838 3.075 20 30 EGEDLO CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001207029101 1371272820 /nfs/dbraw/zinc/27/28/20/1371272820.db2.gz GCBFQQJOSHTPMO-UPJWGTAASA-N 1 2 326.378 3.294 20 30 EGEDLO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001207029101 1371272826 /nfs/dbraw/zinc/27/28/26/1371272826.db2.gz GCBFQQJOSHTPMO-UPJWGTAASA-N 1 2 326.378 3.294 20 30 EGEDLO CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001207029101 1371272833 /nfs/dbraw/zinc/27/28/33/1371272833.db2.gz GCBFQQJOSHTPMO-UPJWGTAASA-N 1 2 326.378 3.294 20 30 EGEDLO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001207029101 1371272836 /nfs/dbraw/zinc/27/28/36/1371272836.db2.gz GCBFQQJOSHTPMO-UPJWGTAASA-N 1 2 326.378 3.294 20 30 EGEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1CC1=CC[C@@H](C(=C)C)CC1 ZINC001208171254 1371616573 /nfs/dbraw/zinc/61/65/73/1371616573.db2.gz RHYHLTJSISPCBE-IEBWSBKVSA-N 1 2 342.487 3.220 20 30 EGEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1CC1=CC[C@@H](C(=C)C)CC1 ZINC001208171254 1371616580 /nfs/dbraw/zinc/61/65/80/1371616580.db2.gz RHYHLTJSISPCBE-IEBWSBKVSA-N 1 2 342.487 3.220 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC001208239578 1371672639 /nfs/dbraw/zinc/67/26/39/1371672639.db2.gz CZOOQUGGXDJCSB-AWEZNQCLSA-N 1 2 348.491 3.050 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ncoc2C(C)C)C[C@H]1C ZINC001208294941 1371704500 /nfs/dbraw/zinc/70/45/00/1371704500.db2.gz SKZPHJNPCKLIQQ-HUUCEWRRSA-N 1 2 333.476 3.337 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ncoc2C(C)C)C[C@H]1C ZINC001208294941 1371704502 /nfs/dbraw/zinc/70/45/02/1371704502.db2.gz SKZPHJNPCKLIQQ-HUUCEWRRSA-N 1 2 333.476 3.337 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2noc3c2CCCC3)C[C@H]1C ZINC001208388873 1371748391 /nfs/dbraw/zinc/74/83/91/1371748391.db2.gz RCNCHTPABZRODF-ZMSDIMECSA-N 1 2 345.487 3.092 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2noc3c2CCCC3)C[C@H]1C ZINC001208388873 1371748395 /nfs/dbraw/zinc/74/83/95/1371748395.db2.gz RCNCHTPABZRODF-ZMSDIMECSA-N 1 2 345.487 3.092 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001208391025 1371748770 /nfs/dbraw/zinc/74/87/70/1371748770.db2.gz ICRSUOKLHAREHI-JFIYKMOQSA-N 1 2 332.492 3.003 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001208391025 1371748775 /nfs/dbraw/zinc/74/87/75/1371748775.db2.gz ICRSUOKLHAREHI-JFIYKMOQSA-N 1 2 332.492 3.003 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)OC2CCCCCC2)C1 ZINC001208550281 1371813097 /nfs/dbraw/zinc/81/30/97/1371813097.db2.gz ACMPYPUDCMPGIH-FRFSOERESA-N 1 2 342.911 3.303 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)OC2CCCCCC2)C1 ZINC001208550281 1371813101 /nfs/dbraw/zinc/81/31/01/1371813101.db2.gz ACMPYPUDCMPGIH-FRFSOERESA-N 1 2 342.911 3.303 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001208954110 1371959833 /nfs/dbraw/zinc/95/98/33/1371959833.db2.gz FBIZUAIBQUHOSU-NVXWUHKLSA-N 1 2 332.492 3.003 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001208954110 1371959837 /nfs/dbraw/zinc/95/98/37/1371959837.db2.gz FBIZUAIBQUHOSU-NVXWUHKLSA-N 1 2 332.492 3.003 20 30 EGEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(CCC)CCC ZINC001121493183 1371991030 /nfs/dbraw/zinc/99/10/30/1371991030.db2.gz WNGVUNXSJJSHFT-IAGOWNOFSA-N 1 2 347.507 3.016 20 30 EGEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(CCC)CCC ZINC001121493183 1371991033 /nfs/dbraw/zinc/99/10/33/1371991033.db2.gz WNGVUNXSJJSHFT-IAGOWNOFSA-N 1 2 347.507 3.016 20 30 EGEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N(C)[C@H](C)c1ccco1 ZINC001121624418 1372028717 /nfs/dbraw/zinc/02/87/17/1372028717.db2.gz YRPJGVUPTMZIEV-OAHLLOKOSA-N 1 2 329.448 3.240 20 30 EGEDLO C[N@H+](CCC#N)C[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C ZINC001209310735 1372066313 /nfs/dbraw/zinc/06/63/13/1372066313.db2.gz MTOJRRXHQWTRTP-KRWDZBQOSA-N 1 2 329.444 3.194 20 30 EGEDLO C[N@@H+](CCC#N)C[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C ZINC001209310735 1372066316 /nfs/dbraw/zinc/06/63/16/1372066316.db2.gz MTOJRRXHQWTRTP-KRWDZBQOSA-N 1 2 329.444 3.194 20 30 EGEDLO C=CCCCCC[N@H+]1CCc2c(ncn2C(C)C)[C@H]1CNC(C)=O ZINC001209422416 1372101884 /nfs/dbraw/zinc/10/18/84/1372101884.db2.gz AFVQSTIUYUJIPL-GOSISDBHSA-N 1 2 332.492 3.246 20 30 EGEDLO C=CCCCCC[N@@H+]1CCc2c(ncn2C(C)C)[C@H]1CNC(C)=O ZINC001209422416 1372101888 /nfs/dbraw/zinc/10/18/88/1372101888.db2.gz AFVQSTIUYUJIPL-GOSISDBHSA-N 1 2 332.492 3.246 20 30 EGEDLO C=CCCCCCCCC[NH+]1CC2(C1)[C@H](CF)CCS2(=O)=O ZINC001209445076 1372108071 /nfs/dbraw/zinc/10/80/71/1372108071.db2.gz DYNMKEHYCNLCLL-INIZCTEOSA-N 1 2 331.497 3.362 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC(CC)CC)C1 ZINC001209791873 1372198836 /nfs/dbraw/zinc/19/88/36/1372198836.db2.gz KBGLNXCMRJSBAY-BXUZGUMPSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(CC)CC)C1 ZINC001209791873 1372198839 /nfs/dbraw/zinc/19/88/39/1372198839.db2.gz KBGLNXCMRJSBAY-BXUZGUMPSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CC(C)C)C1 ZINC001209807411 1372204025 /nfs/dbraw/zinc/20/40/25/1372204025.db2.gz FCVCYGPLTGLZQS-OUCADQQQSA-N 1 2 331.298 3.014 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CC(C)C)C1 ZINC001209807411 1372204027 /nfs/dbraw/zinc/20/40/27/1372204027.db2.gz FCVCYGPLTGLZQS-OUCADQQQSA-N 1 2 331.298 3.014 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H]1CSC ZINC001122536930 1372269041 /nfs/dbraw/zinc/26/90/41/1372269041.db2.gz ODNYYQIKWZSOLJ-HOTGVXAUSA-N 1 2 349.548 3.343 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H]1CSC ZINC001122536930 1372269045 /nfs/dbraw/zinc/26/90/45/1372269045.db2.gz ODNYYQIKWZSOLJ-HOTGVXAUSA-N 1 2 349.548 3.343 20 30 EGEDLO Cc1cc(-c2cccc(Cl)c2)ncc1CN1CC[NH2+]C[C@H]1C#N ZINC001210196021 1372292009 /nfs/dbraw/zinc/29/20/09/1372292009.db2.gz MFQBGPMHPBMHPV-QGZVFWFLSA-N 1 2 326.831 3.008 20 30 EGEDLO COc1c(Br)ccc(Nc2c[nH+]c(C)c(N)c2)c1C#N ZINC001210294158 1372316448 /nfs/dbraw/zinc/31/64/48/1372316448.db2.gz UAHHLQVLTPECRM-UHFFFAOYSA-N 1 2 333.189 3.359 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@H]1C ZINC001122960659 1372348234 /nfs/dbraw/zinc/34/82/34/1372348234.db2.gz LRBLDKDDGDXCKV-NVXWUHKLSA-N 1 2 340.471 3.257 20 30 EGEDLO CCOC(=O)c1ccc2[nH+]ccc(Nc3ccc(O)c(C#N)c3)c2c1 ZINC001210530354 1372372126 /nfs/dbraw/zinc/37/21/26/1372372126.db2.gz DTUBYTACQMBURU-UHFFFAOYSA-N 1 2 333.347 3.154 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2nccn2C)C[C@H]1C ZINC001210547447 1372375437 /nfs/dbraw/zinc/37/54/37/1372375437.db2.gz NXQKHDZNWSALRV-IAGOWNOFSA-N 1 2 334.508 3.107 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2nccn2C)C[C@H]1C ZINC001210547447 1372375440 /nfs/dbraw/zinc/37/54/40/1372375440.db2.gz NXQKHDZNWSALRV-IAGOWNOFSA-N 1 2 334.508 3.107 20 30 EGEDLO Cc1cc(N[C@@H]2C[C@@H](C)N(C(=O)C#CC(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC001123201859 1372396083 /nfs/dbraw/zinc/39/60/83/1372396083.db2.gz GNMZHYSPQKTAIR-HZPDHXFCSA-N 1 2 342.487 3.359 20 30 EGEDLO C=C(C)CCC(=O)N[C@@]12CCC[C@H]1N(c1cc(C)[nH+]c(CC)n1)CC2 ZINC001123451292 1372473899 /nfs/dbraw/zinc/47/38/99/1372473899.db2.gz JZJGBWKRXCVCKA-OXQOHEQNSA-N 1 2 342.487 3.321 20 30 EGEDLO C=C(C)CCC(=O)N[C@@]12CCC[C@@H]1N(c1cc(C)[nH+]c(CC)n1)CC2 ZINC001123451290 1372473932 /nfs/dbraw/zinc/47/39/32/1372473932.db2.gz JZJGBWKRXCVCKA-OXJNMPFZSA-N 1 2 342.487 3.321 20 30 EGEDLO C#CCCCCC(=O)N1C[C@@H]2CCC[C@@H](Nc3cc[nH+]c(C)n3)[C@H]2C1 ZINC001123487106 1372487078 /nfs/dbraw/zinc/48/70/78/1372487078.db2.gz MTISXLCLSBOARA-OKZBNKHCSA-N 1 2 340.471 3.018 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c3c2CCCC3)[C@H]1C ZINC001123578184 1372514238 /nfs/dbraw/zinc/51/42/38/1372514238.db2.gz USFAFXHNBFLCSG-WMLDXEAASA-N 1 2 342.487 3.104 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3nc(C)no3)C[C@H]2C)CCCC1 ZINC001211495372 1372568291 /nfs/dbraw/zinc/56/82/91/1372568291.db2.gz KSPOWRWVIRBSIS-IJEWVQPXSA-N 1 2 346.475 3.012 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3nc(C)no3)C[C@H]2C)CCCC1 ZINC001211495372 1372568294 /nfs/dbraw/zinc/56/82/94/1372568294.db2.gz KSPOWRWVIRBSIS-IJEWVQPXSA-N 1 2 346.475 3.012 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001123762148 1372580825 /nfs/dbraw/zinc/58/08/25/1372580825.db2.gz RMWJDEXWJGNZOD-HOCLYGCPSA-N 1 2 328.460 3.325 20 30 EGEDLO CCCCCCCCS(=O)(=O)NCc1c[nH+]cn1CC1CC1 ZINC001188027533 1388220903 /nfs/dbraw/zinc/22/09/03/1388220903.db2.gz OUCTZUAFWVDVPH-UHFFFAOYSA-N 1 2 327.494 3.073 20 30 EGEDLO Cc1cc(NC[C@@H](NC(=O)C#CC2CC2)C(C)(C)C)nc(C(C)C)[nH+]1 ZINC001125905002 1372886804 /nfs/dbraw/zinc/88/68/04/1372886804.db2.gz ZLESBTDBCIEDRT-MRXNPFEDSA-N 1 2 342.487 3.265 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(C(C)C)n3)C[C@H]21 ZINC001188063554 1388232555 /nfs/dbraw/zinc/23/25/55/1388232555.db2.gz MWJGWOGQZYRTBP-FUHWJXTLSA-N 1 2 344.503 3.099 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccn(C(C)C)n3)C[C@H]21 ZINC001188063554 1388232559 /nfs/dbraw/zinc/23/25/59/1388232559.db2.gz MWJGWOGQZYRTBP-FUHWJXTLSA-N 1 2 344.503 3.099 20 30 EGEDLO C=C(C)CCC(=O)NC1(C2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC001127134113 1373095050 /nfs/dbraw/zinc/09/50/50/1373095050.db2.gz KHJHBXBSUMQNSP-UHFFFAOYSA-N 1 2 328.460 3.007 20 30 EGEDLO COc1ccc(C[NH+]2CCOCC2)cc1Nc1sccc1C#N ZINC001215546155 1373211129 /nfs/dbraw/zinc/21/11/29/1373211129.db2.gz BIFQRCCAENDERB-UHFFFAOYSA-N 1 2 329.425 3.204 20 30 EGEDLO C=CCCC(=O)NCc1cnn2c1C[N@H+](CC/C=C\CCC)CC2 ZINC001128259522 1373243191 /nfs/dbraw/zinc/24/31/91/1373243191.db2.gz IAZLATROYQIJHK-FPLPWBNLSA-N 1 2 330.476 3.028 20 30 EGEDLO C=CCCC(=O)NCc1cnn2c1C[N@@H+](CC/C=C\CCC)CC2 ZINC001128259522 1373243196 /nfs/dbraw/zinc/24/31/96/1373243196.db2.gz IAZLATROYQIJHK-FPLPWBNLSA-N 1 2 330.476 3.028 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H](C)C3CC3)c2C1 ZINC001128290108 1373246111 /nfs/dbraw/zinc/24/61/11/1373246111.db2.gz NTGAMYVADIIYAG-INIZCTEOSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@@H](C)C3CC3)c2C1 ZINC001128290108 1373246113 /nfs/dbraw/zinc/24/61/13/1373246113.db2.gz NTGAMYVADIIYAG-INIZCTEOSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCCCC(=O)NCc1cnn2c1C[N@H+](CCCCCC)CC2 ZINC001128463832 1373273032 /nfs/dbraw/zinc/27/30/32/1373273032.db2.gz XVOLWLLPYOTSMW-UHFFFAOYSA-N 1 2 332.492 3.252 20 30 EGEDLO C=CCCCC(=O)NCc1cnn2c1C[N@@H+](CCCCCC)CC2 ZINC001128463832 1373273037 /nfs/dbraw/zinc/27/30/37/1373273037.db2.gz XVOLWLLPYOTSMW-UHFFFAOYSA-N 1 2 332.492 3.252 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)C[C@H]3C[C@@H]3C)c2C1 ZINC001128470155 1373273222 /nfs/dbraw/zinc/27/32/22/1373273222.db2.gz CNCKKSUTMLLHRG-DLBZAZTESA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)C[C@H]3C[C@@H]3C)c2C1 ZINC001128470155 1373273224 /nfs/dbraw/zinc/27/32/24/1373273224.db2.gz CNCKKSUTMLLHRG-DLBZAZTESA-N 1 2 344.503 3.107 20 30 EGEDLO Fc1cc(O[C@@H]2CC[NH2+]CC2(F)F)cc(F)c1OC(F)(F)F ZINC001218008112 1373534442 /nfs/dbraw/zinc/53/44/42/1373534442.db2.gz WYYNMSLFCUEABG-SECBINFHSA-N 1 2 333.203 3.239 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)/C=C\C(C)(C)C)C[C@H](C)O2 ZINC001131645546 1373741115 /nfs/dbraw/zinc/74/11/15/1373741115.db2.gz GWMLTXUCJWLIRE-UHCGQYCJSA-N 1 2 340.895 3.033 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)/C=C\C(C)(C)C)C[C@H](C)O2 ZINC001131645546 1373741118 /nfs/dbraw/zinc/74/11/18/1373741118.db2.gz GWMLTXUCJWLIRE-UHCGQYCJSA-N 1 2 340.895 3.033 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)C=C(CC)CC)C[C@@H](C)O2 ZINC001131649266 1373743451 /nfs/dbraw/zinc/74/34/51/1373743451.db2.gz IPFVITPRNNCSRJ-QAPCUYQASA-N 1 2 340.895 3.177 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C=C(CC)CC)C[C@@H](C)O2 ZINC001131649266 1373743458 /nfs/dbraw/zinc/74/34/58/1373743458.db2.gz IPFVITPRNNCSRJ-QAPCUYQASA-N 1 2 340.895 3.177 20 30 EGEDLO CC(C)=CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131772910 1373795292 /nfs/dbraw/zinc/79/52/92/1373795292.db2.gz VIWXCMRRXSYFDC-KBXCAEBGSA-N 1 2 329.419 3.133 20 30 EGEDLO CC(C)=CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131772910 1373795296 /nfs/dbraw/zinc/79/52/96/1373795296.db2.gz VIWXCMRRXSYFDC-KBXCAEBGSA-N 1 2 329.419 3.133 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC001131900137 1375037005 /nfs/dbraw/zinc/03/70/05/1375037005.db2.gz UDCDDXWTSOSYHY-HUUCEWRRSA-N 1 2 343.427 3.370 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(-c3ccco3)on2)C1 ZINC001131900137 1375037009 /nfs/dbraw/zinc/03/70/09/1375037009.db2.gz UDCDDXWTSOSYHY-HUUCEWRRSA-N 1 2 343.427 3.370 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)CCC2CCC2)CC[C@H]1C ZINC001131950738 1375065747 /nfs/dbraw/zinc/06/57/47/1375065747.db2.gz NNAXRJMMRNXPGI-HIFRSBDPSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)CCC2CCC2)CC[C@H]1C ZINC001131950738 1375065754 /nfs/dbraw/zinc/06/57/54/1375065754.db2.gz NNAXRJMMRNXPGI-HIFRSBDPSA-N 1 2 343.309 3.444 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001131960464 1375071841 /nfs/dbraw/zinc/07/18/41/1375071841.db2.gz MYPMPOHWGFHIET-CZUORRHYSA-N 1 2 347.409 3.430 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001131960464 1375071847 /nfs/dbraw/zinc/07/18/47/1375071847.db2.gz MYPMPOHWGFHIET-CZUORRHYSA-N 1 2 347.409 3.430 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cc(F)ccc2F)C1 ZINC001132018485 1375101570 /nfs/dbraw/zinc/10/15/70/1375101570.db2.gz XOEUJNSJMWTYMJ-WMLDXEAASA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001132018485 1375101572 /nfs/dbraw/zinc/10/15/72/1375101572.db2.gz XOEUJNSJMWTYMJ-WMLDXEAASA-N 1 2 334.410 3.093 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1cc(F)ccc1F ZINC001132033599 1375108785 /nfs/dbraw/zinc/10/87/85/1375108785.db2.gz IMJQFCOOSJXCGM-RHSMWYFYSA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1cc(F)ccc1F ZINC001132033599 1375108790 /nfs/dbraw/zinc/10/87/90/1375108790.db2.gz IMJQFCOOSJXCGM-RHSMWYFYSA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1cccc(F)c1F ZINC001132034881 1375109940 /nfs/dbraw/zinc/10/99/40/1375109940.db2.gz VZHFWXRBJFHQLG-ZBFHGGJFSA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1cccc(F)c1F ZINC001132034881 1375109944 /nfs/dbraw/zinc/10/99/44/1375109944.db2.gz VZHFWXRBJFHQLG-ZBFHGGJFSA-N 1 2 348.437 3.483 20 30 EGEDLO COc1cccc(F)c1O[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001225445711 1375111578 /nfs/dbraw/zinc/11/15/78/1375111578.db2.gz NQUXMUCRAOXVHW-MRXNPFEDSA-N 1 2 326.371 3.359 20 30 EGEDLO COc1cccc(F)c1O[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001225445711 1375111582 /nfs/dbraw/zinc/11/15/82/1375111582.db2.gz NQUXMUCRAOXVHW-MRXNPFEDSA-N 1 2 326.371 3.359 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc3n(n2)CCCC3)C1 ZINC001132071404 1375132757 /nfs/dbraw/zinc/13/27/57/1375132757.db2.gz ADUJQJUJKBTOQU-SJORKVTESA-N 1 2 344.503 3.045 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc3n(n2)CCCC3)C1 ZINC001132071404 1375132761 /nfs/dbraw/zinc/13/27/61/1375132761.db2.gz ADUJQJUJKBTOQU-SJORKVTESA-N 1 2 344.503 3.045 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)on2)C1 ZINC001132077160 1375134682 /nfs/dbraw/zinc/13/46/82/1375134682.db2.gz GJQBSDAMSIQBAH-RISCZKNCSA-N 1 2 339.867 3.231 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc(C)on2)C1 ZINC001132077160 1375134684 /nfs/dbraw/zinc/13/46/84/1375134684.db2.gz GJQBSDAMSIQBAH-RISCZKNCSA-N 1 2 339.867 3.231 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCCC2CCOCC2)CC[C@@H]1C ZINC001132082276 1375137363 /nfs/dbraw/zinc/13/73/63/1375137363.db2.gz GBPLIVBLHXDEPC-DOTOQJQBSA-N 1 2 342.911 3.305 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCCC2CCOCC2)CC[C@@H]1C ZINC001132082276 1375137364 /nfs/dbraw/zinc/13/73/64/1375137364.db2.gz GBPLIVBLHXDEPC-DOTOQJQBSA-N 1 2 342.911 3.305 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCc2ccc(F)cc2)CC[C@H]1C ZINC001132158026 1375176560 /nfs/dbraw/zinc/17/65/60/1375176560.db2.gz WJTGLFYEDFKINH-RHSMWYFYSA-N 1 2 338.854 3.480 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCc2ccc(F)cc2)CC[C@H]1C ZINC001132158026 1375176563 /nfs/dbraw/zinc/17/65/63/1375176563.db2.gz WJTGLFYEDFKINH-RHSMWYFYSA-N 1 2 338.854 3.480 20 30 EGEDLO C[C@@H](Oc1cccc(/C=N/O)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226114869 1375205412 /nfs/dbraw/zinc/20/54/12/1375205412.db2.gz SKQYHFIOLPAMPI-CBWSWYPSSA-N 1 2 340.423 3.163 20 30 EGEDLO C[C@@H](Oc1cccc(/C=N/O)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226114869 1375205414 /nfs/dbraw/zinc/20/54/14/1375205414.db2.gz SKQYHFIOLPAMPI-CBWSWYPSSA-N 1 2 340.423 3.163 20 30 EGEDLO CC[C@H](C)C(=O)NC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC001226128564 1375207905 /nfs/dbraw/zinc/20/79/05/1375207905.db2.gz PAFAUEKAHHJRTI-HNNXBMFYSA-N 1 2 332.875 3.318 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001132228015 1375223607 /nfs/dbraw/zinc/22/36/07/1375223607.db2.gz KRFIPGQHOMGOIM-CVEARBPZSA-N 1 2 332.492 3.145 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001132228015 1375223608 /nfs/dbraw/zinc/22/36/08/1375223608.db2.gz KRFIPGQHOMGOIM-CVEARBPZSA-N 1 2 332.492 3.145 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001132228081 1375223624 /nfs/dbraw/zinc/22/36/24/1375223624.db2.gz LUNCDYIQLKZHCT-HUUCEWRRSA-N 1 2 345.487 3.235 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001132228081 1375223625 /nfs/dbraw/zinc/22/36/25/1375223625.db2.gz LUNCDYIQLKZHCT-HUUCEWRRSA-N 1 2 345.487 3.235 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3snnc3C)C2)CCC1 ZINC001132282779 1375264886 /nfs/dbraw/zinc/26/48/86/1375264886.db2.gz MVZXXTDBNQBIPM-UKRRQHHQSA-N 1 2 348.516 3.062 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3snnc3C)C2)CCC1 ZINC001132282779 1375264891 /nfs/dbraw/zinc/26/48/91/1375264891.db2.gz MVZXXTDBNQBIPM-UKRRQHHQSA-N 1 2 348.516 3.062 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1noc(C)n1 ZINC001227972731 1375496264 /nfs/dbraw/zinc/49/62/64/1375496264.db2.gz FGWYRFLNXCIINM-USXIJHARSA-N 1 2 346.475 3.040 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC1CC[NH+]([C@H](C)c2nc(C(C)C)no2)CC1 ZINC001228794810 1375679245 /nfs/dbraw/zinc/67/92/45/1375679245.db2.gz NBVCQEDZLYTDEF-HUUCEWRRSA-N 1 2 348.491 3.437 20 30 EGEDLO C=CCC1(C(=O)NC2CC[NH+](Cc3ncc(CC)o3)CC2)CCC1 ZINC001229031243 1375747345 /nfs/dbraw/zinc/74/73/45/1375747345.db2.gz USOCZWSNIUWBPP-UHFFFAOYSA-N 1 2 331.460 3.064 20 30 EGEDLO CCC1(C(=O)NC2CC[NH+](CC#Cc3ccccc3Cl)CC2)CC1 ZINC001229064725 1375755869 /nfs/dbraw/zinc/75/58/69/1375755869.db2.gz CPVNAJUMMUKDBX-UHFFFAOYSA-N 1 2 344.886 3.462 20 30 EGEDLO N#Cc1ccnnc1OC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001229604445 1375864004 /nfs/dbraw/zinc/86/40/04/1375864004.db2.gz PONYZGBUPQLHLK-UHFFFAOYSA-N 1 2 342.402 3.201 20 30 EGEDLO CC(=O)c1cccc(O)c1O[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001229652326 1375871283 /nfs/dbraw/zinc/87/12/83/1375871283.db2.gz LZBPCHGLOOLLDO-QGZVFWFLSA-N 1 2 336.391 3.120 20 30 EGEDLO CC(=O)c1cccc(O)c1O[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001229652326 1375871289 /nfs/dbraw/zinc/87/12/89/1375871289.db2.gz LZBPCHGLOOLLDO-QGZVFWFLSA-N 1 2 336.391 3.120 20 30 EGEDLO C=CC[C@H](C=C)Oc1nc(=O)[nH]c2c1CC[N@H+](Cc1ccccc1)C2 ZINC001230186008 1375958379 /nfs/dbraw/zinc/95/83/79/1375958379.db2.gz JTPKVJCUTNAGHH-INIZCTEOSA-N 1 2 337.423 3.250 20 30 EGEDLO C=CC[C@H](C=C)Oc1nc(=O)[nH]c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001230186008 1375958381 /nfs/dbraw/zinc/95/83/81/1375958381.db2.gz JTPKVJCUTNAGHH-INIZCTEOSA-N 1 2 337.423 3.250 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC001230255044 1375978235 /nfs/dbraw/zinc/97/82/35/1375978235.db2.gz SCICQBUCOMOLKL-CQSZACIVSA-N 1 2 333.395 3.109 20 30 EGEDLO C=CCC1(C(=O)NCC[NH2+][C@@H](C)c2ncc(C(C)(C)C)o2)CCC1 ZINC001133397159 1375980997 /nfs/dbraw/zinc/98/09/97/1375980997.db2.gz CJHFMOKLCKZIHO-AWEZNQCLSA-N 1 2 333.476 3.485 20 30 EGEDLO C#CCC1(C(=O)NC2CC[NH+](Cc3nocc3C)CC2)CCCCC1 ZINC001230404352 1376021740 /nfs/dbraw/zinc/02/17/40/1376021740.db2.gz GCJMQTHYRKVAMZ-UHFFFAOYSA-N 1 2 343.471 3.037 20 30 EGEDLO C/C(=C/C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C1CC1 ZINC001230948629 1376186006 /nfs/dbraw/zinc/18/60/06/1376186006.db2.gz OZXXQXDDCRQHFJ-CTXBLAANSA-N 1 2 329.469 3.009 20 30 EGEDLO C/C(=C/C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C1CC1 ZINC001230948629 1376186013 /nfs/dbraw/zinc/18/60/13/1376186013.db2.gz OZXXQXDDCRQHFJ-CTXBLAANSA-N 1 2 329.469 3.009 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1nc(Cl)ccc1F)C2 ZINC001232158638 1376410954 /nfs/dbraw/zinc/41/09/54/1376410954.db2.gz LSNJLZUYIZBPSQ-GUYCJALGSA-N 1 2 340.826 3.200 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1nc(Cl)ccc1F)C2 ZINC001232158638 1376410957 /nfs/dbraw/zinc/41/09/57/1376410957.db2.gz LSNJLZUYIZBPSQ-GUYCJALGSA-N 1 2 340.826 3.200 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232678989 1376500175 /nfs/dbraw/zinc/50/01/75/1376500175.db2.gz XJZFALWQFFUXSQ-BBRMVZONSA-N 1 2 345.443 3.141 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(C#N)ccc1O ZINC001232678989 1376500186 /nfs/dbraw/zinc/50/01/86/1376500186.db2.gz XJZFALWQFFUXSQ-BBRMVZONSA-N 1 2 345.443 3.141 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(F)(F)C(F)F ZINC001134457510 1376548893 /nfs/dbraw/zinc/54/88/93/1376548893.db2.gz PCEAHRGLRRIYJN-QWRGUYRKSA-N 1 2 326.378 3.362 20 30 EGEDLO Cc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc1O ZINC001233234814 1376595642 /nfs/dbraw/zinc/59/56/42/1376595642.db2.gz JGTGYGLEMDESRN-UHFFFAOYSA-N 1 2 325.387 3.034 20 30 EGEDLO C[C@]1(c2ccc(F)cc2)C[N@H+](Cc2ccc(C#N)cc2O)CCO1 ZINC001233386977 1376634115 /nfs/dbraw/zinc/63/41/15/1376634115.db2.gz PGGVFLCZEBLCBN-LJQANCHMSA-N 1 2 326.371 3.151 20 30 EGEDLO C[C@]1(c2ccc(F)cc2)C[N@@H+](Cc2ccc(C#N)cc2O)CCO1 ZINC001233386977 1376634121 /nfs/dbraw/zinc/63/41/21/1376634121.db2.gz PGGVFLCZEBLCBN-LJQANCHMSA-N 1 2 326.371 3.151 20 30 EGEDLO N#Cc1ccc(-c2ccc(OCC[NH+]3CCOCC3)cc2)c(F)c1 ZINC001236525149 1376956164 /nfs/dbraw/zinc/95/61/64/1376956164.db2.gz JCHGZCWXQNNLDA-UHFFFAOYSA-N 1 2 326.371 3.075 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nnsc1Cl ZINC001135561838 1377145398 /nfs/dbraw/zinc/14/53/98/1377145398.db2.gz UOARULGDFZMLLM-QWRGUYRKSA-N 1 2 344.912 3.167 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(F)(F)C(F)F ZINC001135564755 1377146800 /nfs/dbraw/zinc/14/68/00/1377146800.db2.gz JBASPHQVYWIGLS-MNOVXSKESA-N 1 2 326.378 3.362 20 30 EGEDLO CCCCC1(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)CC1 ZINC001267730505 1377467750 /nfs/dbraw/zinc/46/77/50/1377467750.db2.gz QNEBMSYNZDXSTR-IBGZPJMESA-N 1 2 342.458 3.338 20 30 EGEDLO CCCCC1(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)CC1 ZINC001267730505 1377467753 /nfs/dbraw/zinc/46/77/53/1377467753.db2.gz QNEBMSYNZDXSTR-IBGZPJMESA-N 1 2 342.458 3.338 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1[nH]nc3ccccc31)CCO2 ZINC001137347560 1377527506 /nfs/dbraw/zinc/52/75/06/1377527506.db2.gz PISGTLJEPUVXJU-OXJNMPFZSA-N 1 2 341.455 3.137 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1[nH]nc3ccccc31)CCO2 ZINC001137347560 1377527510 /nfs/dbraw/zinc/52/75/10/1377527510.db2.gz PISGTLJEPUVXJU-OXJNMPFZSA-N 1 2 341.455 3.137 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1n[nH]c3ccccc31)CCO2 ZINC001137347560 1377527513 /nfs/dbraw/zinc/52/75/13/1377527513.db2.gz PISGTLJEPUVXJU-OXJNMPFZSA-N 1 2 341.455 3.137 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1n[nH]c3ccccc31)CCO2 ZINC001137347560 1377527523 /nfs/dbraw/zinc/52/75/23/1377527523.db2.gz PISGTLJEPUVXJU-OXJNMPFZSA-N 1 2 341.455 3.137 20 30 EGEDLO COc1ccc(F)c(C[NH+]2CCN(c3cccc(C#N)c3)CC2)c1 ZINC001137997218 1377662691 /nfs/dbraw/zinc/66/26/91/1377662691.db2.gz BFFRLXZULRBHOZ-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC001138286064 1377697375 /nfs/dbraw/zinc/69/73/75/1377697375.db2.gz DZZDPBCTHWUCRA-MRXNPFEDSA-N 1 2 347.459 3.136 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC001138286064 1377697377 /nfs/dbraw/zinc/69/73/77/1377697377.db2.gz DZZDPBCTHWUCRA-MRXNPFEDSA-N 1 2 347.459 3.136 20 30 EGEDLO C#CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)on2)cc1OC ZINC001138341705 1377706412 /nfs/dbraw/zinc/70/64/12/1377706412.db2.gz UPTASCHRXIIANW-KRWDZBQOSA-N 1 2 326.396 3.341 20 30 EGEDLO C#CCOc1ccc(C[N@H+]2CCC[C@H]2c2cc(C)on2)cc1OC ZINC001138341705 1377706415 /nfs/dbraw/zinc/70/64/15/1377706415.db2.gz UPTASCHRXIIANW-KRWDZBQOSA-N 1 2 326.396 3.341 20 30 EGEDLO C=CCc1cccc(CN2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c1O ZINC001138630911 1377758317 /nfs/dbraw/zinc/75/83/17/1377758317.db2.gz GFJPDGKJCYADHC-KRWDZBQOSA-N 1 2 336.426 3.426 20 30 EGEDLO C=C(C)COc1ccccc1C[N@@H+]1CCc2onc(COC)c2C1 ZINC001138661295 1377764656 /nfs/dbraw/zinc/76/46/56/1377764656.db2.gz SHJGXBJSCCNUGE-UHFFFAOYSA-N 1 2 328.412 3.334 20 30 EGEDLO C=C(C)COc1ccccc1C[N@H+]1CCc2onc(COC)c2C1 ZINC001138661295 1377764658 /nfs/dbraw/zinc/76/46/58/1377764658.db2.gz SHJGXBJSCCNUGE-UHFFFAOYSA-N 1 2 328.412 3.334 20 30 EGEDLO Cc1ncc(C[N@H+](C)Cc2ccc(Oc3ccc(C#N)cc3)nc2)cn1 ZINC001139427810 1377882809 /nfs/dbraw/zinc/88/28/09/1377882809.db2.gz RXRHJIMOEYWDSA-UHFFFAOYSA-N 1 2 345.406 3.476 20 30 EGEDLO Cc1ncc(C[N@@H+](C)Cc2ccc(Oc3ccc(C#N)cc3)nc2)cn1 ZINC001139427810 1377882814 /nfs/dbraw/zinc/88/28/14/1377882814.db2.gz RXRHJIMOEYWDSA-UHFFFAOYSA-N 1 2 345.406 3.476 20 30 EGEDLO CCOC[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)Cc2cn(CC)nc21 ZINC001139528152 1377897689 /nfs/dbraw/zinc/89/76/89/1377897689.db2.gz LOZAQSHYXZTIIN-KRWDZBQOSA-N 1 2 342.418 3.050 20 30 EGEDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)Cc2cn(CC)nc21 ZINC001139528152 1377897695 /nfs/dbraw/zinc/89/76/95/1377897695.db2.gz LOZAQSHYXZTIIN-KRWDZBQOSA-N 1 2 342.418 3.050 20 30 EGEDLO C#C[C@H]1CCC[N@@H+](Cc2cc(Br)c(OC)cc2OC)C1 ZINC001139862903 1377965588 /nfs/dbraw/zinc/96/55/88/1377965588.db2.gz FAOPFSDNAVNIEJ-LBPRGKRZSA-N 1 2 338.245 3.312 20 30 EGEDLO C#C[C@H]1CCC[N@H+](Cc2cc(Br)c(OC)cc2OC)C1 ZINC001139862903 1377965590 /nfs/dbraw/zinc/96/55/90/1377965590.db2.gz FAOPFSDNAVNIEJ-LBPRGKRZSA-N 1 2 338.245 3.312 20 30 EGEDLO N#Cc1cc(F)cc(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)c1 ZINC001139876346 1377969872 /nfs/dbraw/zinc/96/98/72/1377969872.db2.gz SOVCDQPZOGGZJG-UHFFFAOYSA-N 1 2 337.398 3.045 20 30 EGEDLO N#Cc1cc(F)cc(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)c1 ZINC001139876346 1377969873 /nfs/dbraw/zinc/96/98/73/1377969873.db2.gz SOVCDQPZOGGZJG-UHFFFAOYSA-N 1 2 337.398 3.045 20 30 EGEDLO Cc1ccc(Cl)cc1N1CC[NH+](Cc2ccc(C#N)nc2)CC1 ZINC001140539861 1378081508 /nfs/dbraw/zinc/08/15/08/1378081508.db2.gz BPKKYBHWNUBCNR-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC001140541124 1378081518 /nfs/dbraw/zinc/08/15/18/1378081518.db2.gz YDWFMICZVNXPIW-HNNXBMFYSA-N 1 2 326.799 3.356 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC001140541124 1378081521 /nfs/dbraw/zinc/08/15/21/1378081521.db2.gz YDWFMICZVNXPIW-HNNXBMFYSA-N 1 2 326.799 3.356 20 30 EGEDLO N#Cc1cccc(C[NH+]2CC3(CN(c4ccccc4)C3=O)C2)c1Cl ZINC001140809799 1378147981 /nfs/dbraw/zinc/14/79/81/1378147981.db2.gz IFLQNIPFFGBYJB-UHFFFAOYSA-N 1 2 337.810 3.060 20 30 EGEDLO C#CC[N@@H+](Cc1cnc(SC)nc1NC)[C@@H]1CCc2ccccc21 ZINC001140840191 1378156128 /nfs/dbraw/zinc/15/61/28/1378156128.db2.gz KBFYKUQABQWKDG-QGZVFWFLSA-N 1 2 338.480 3.363 20 30 EGEDLO C#CC[N@H+](Cc1cnc(SC)nc1NC)[C@@H]1CCc2ccccc21 ZINC001140840191 1378156129 /nfs/dbraw/zinc/15/61/29/1378156129.db2.gz KBFYKUQABQWKDG-QGZVFWFLSA-N 1 2 338.480 3.363 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@H+]1[C@@H]2C[C@H]1CN(C(=O)[C@@H]1C=CCC=C1C)C2 ZINC001279696580 1378318653 /nfs/dbraw/zinc/31/86/53/1378318653.db2.gz ARBYXTDKBQLNGJ-QHAWAJNXSA-N 1 2 347.462 3.174 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@@H+]1[C@@H]2C[C@H]1CN(C(=O)[C@@H]1C=CCC=C1C)C2 ZINC001279696580 1378318656 /nfs/dbraw/zinc/31/86/56/1378318656.db2.gz ARBYXTDKBQLNGJ-QHAWAJNXSA-N 1 2 347.462 3.174 20 30 EGEDLO N#Cc1ccc(NC(=O)/C=C/c2ccc(Cn3cc[nH+]c3)cc2)c(O)c1 ZINC001142370347 1378436820 /nfs/dbraw/zinc/43/68/20/1378436820.db2.gz WJVSTNOFHALIAS-SOFGYWHQSA-N 1 2 344.374 3.161 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1cc(C)co1 ZINC001281952397 1378463109 /nfs/dbraw/zinc/46/31/09/1378463109.db2.gz MDVXNFXWJBZLSI-ZDUSSCGKSA-N 1 2 341.249 3.033 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cc(C)co1 ZINC001281952397 1378463110 /nfs/dbraw/zinc/46/31/10/1378463110.db2.gz MDVXNFXWJBZLSI-ZDUSSCGKSA-N 1 2 341.249 3.033 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2c(F)ccc(C#N)c2F)CCC[C@]1(O)C(F)(F)F ZINC001143164094 1378551776 /nfs/dbraw/zinc/55/17/76/1378551776.db2.gz ADBDAUAFXGIOCO-MEBBXXQBSA-N 1 2 348.315 3.362 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2c(F)ccc(C#N)c2F)CCC[C@]1(O)C(F)(F)F ZINC001143164094 1378551783 /nfs/dbraw/zinc/55/17/83/1378551783.db2.gz ADBDAUAFXGIOCO-MEBBXXQBSA-N 1 2 348.315 3.362 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2c(F)ccc(C#N)c2F)CCC[C@@]1(O)C(F)(F)F ZINC001143164092 1378552179 /nfs/dbraw/zinc/55/21/79/1378552179.db2.gz ADBDAUAFXGIOCO-BMIGLBTASA-N 1 2 348.315 3.362 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2c(F)ccc(C#N)c2F)CCC[C@@]1(O)C(F)(F)F ZINC001143164092 1378552182 /nfs/dbraw/zinc/55/21/82/1378552182.db2.gz ADBDAUAFXGIOCO-BMIGLBTASA-N 1 2 348.315 3.362 20 30 EGEDLO N#Cc1ccc(F)c(C[NH+]2CCC(NC(=O)C3CCCC3)CC2)c1F ZINC001143173374 1378553639 /nfs/dbraw/zinc/55/36/39/1378553639.db2.gz YXLFUVFXKBCKQH-UHFFFAOYSA-N 1 2 347.409 3.107 20 30 EGEDLO CCc1noc([C@@H]2CCC[N@H+](Cc3c(F)ccc(C#N)c3F)C2)n1 ZINC001143173690 1378553674 /nfs/dbraw/zinc/55/36/74/1378553674.db2.gz COSGFNNAQCQCID-GFCCVEGCSA-N 1 2 332.354 3.161 20 30 EGEDLO CCc1noc([C@@H]2CCC[N@@H+](Cc3c(F)ccc(C#N)c3F)C2)n1 ZINC001143173690 1378553677 /nfs/dbraw/zinc/55/36/77/1378553677.db2.gz COSGFNNAQCQCID-GFCCVEGCSA-N 1 2 332.354 3.161 20 30 EGEDLO CCOC(=O)C1(CC)CC[NH+](Cc2c(F)ccc(C#N)c2F)CC1 ZINC001143176298 1378554663 /nfs/dbraw/zinc/55/46/63/1378554663.db2.gz ZBFGMNKQULASNZ-UHFFFAOYSA-N 1 2 336.382 3.392 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1n[nH]c3ccc(F)cc31)C2 ZINC001144197607 1378696934 /nfs/dbraw/zinc/69/69/34/1378696934.db2.gz VFGLJFLTMWVMIQ-KXBFYZLASA-N 1 2 345.418 3.028 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1n[nH]c3ccc(F)cc31)C2 ZINC001144197607 1378696936 /nfs/dbraw/zinc/69/69/36/1378696936.db2.gz VFGLJFLTMWVMIQ-KXBFYZLASA-N 1 2 345.418 3.028 20 30 EGEDLO CC/C=C(/C)C(=O)N1CC2(C1)CC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001147106088 1378969567 /nfs/dbraw/zinc/96/95/67/1378969567.db2.gz LRTXYXHVXHZUBW-TVPGTPATSA-N 1 2 341.430 3.088 20 30 EGEDLO CC/C=C(/C)C(=O)N1CC2(C1)CC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001147106088 1378969572 /nfs/dbraw/zinc/96/95/72/1378969572.db2.gz LRTXYXHVXHZUBW-TVPGTPATSA-N 1 2 341.430 3.088 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)C[C@@H](C)CCC)C2)C1 ZINC001147166246 1378980980 /nfs/dbraw/zinc/98/09/80/1378980980.db2.gz TYQQZUMOJOHHER-ZDUSSCGKSA-N 1 2 343.309 3.256 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)C[C@@H](C)CCC)C2)C1 ZINC001147166246 1378980983 /nfs/dbraw/zinc/98/09/83/1378980983.db2.gz TYQQZUMOJOHHER-ZDUSSCGKSA-N 1 2 343.309 3.256 20 30 EGEDLO C=CCCC(=O)N1CC2(C1)CC[N@@H+](Cc1csc(C(C)(C)C)n1)C2 ZINC001147187789 1378984486 /nfs/dbraw/zinc/98/44/86/1378984486.db2.gz QVMWWJHCAWUHFC-UHFFFAOYSA-N 1 2 347.528 3.441 20 30 EGEDLO C=CCCC(=O)N1CC2(C1)CC[N@H+](Cc1csc(C(C)(C)C)n1)C2 ZINC001147187789 1378984489 /nfs/dbraw/zinc/98/44/89/1378984489.db2.gz QVMWWJHCAWUHFC-UHFFFAOYSA-N 1 2 347.528 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C)C(CC)CC)C1 ZINC001149930203 1379469057 /nfs/dbraw/zinc/46/90/57/1379469057.db2.gz JBJHLSOHFWRMJF-GOEBONIOSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C)C(CC)CC)C1 ZINC001149930203 1379469061 /nfs/dbraw/zinc/46/90/61/1379469061.db2.gz JBJHLSOHFWRMJF-GOEBONIOSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)CCCCC(C)C)C1 ZINC001150462355 1379554961 /nfs/dbraw/zinc/55/49/61/1379554961.db2.gz VSTGQNJAIXMXBN-MRXNPFEDSA-N 1 2 330.900 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)CCCCC(C)C)C1 ZINC001150462355 1379554963 /nfs/dbraw/zinc/55/49/63/1379554963.db2.gz VSTGQNJAIXMXBN-MRXNPFEDSA-N 1 2 330.900 3.162 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001150589108 1379574365 /nfs/dbraw/zinc/57/43/65/1379574365.db2.gz SYLPCWSSZLSTSH-GDBMZVCRSA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001150589108 1379574367 /nfs/dbraw/zinc/57/43/67/1379574367.db2.gz SYLPCWSSZLSTSH-GDBMZVCRSA-N 1 2 344.927 3.408 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1ccccc1 ZINC001151648798 1379756110 /nfs/dbraw/zinc/75/61/10/1379756110.db2.gz VTRVEHUENVFCQI-OAHLLOKOSA-N 1 2 339.414 3.338 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1ccccc1 ZINC001151648798 1379756116 /nfs/dbraw/zinc/75/61/16/1379756116.db2.gz VTRVEHUENVFCQI-OAHLLOKOSA-N 1 2 339.414 3.338 20 30 EGEDLO CCCCCCCC[C@H](C)C(=O)NCC[NH2+]Cc1cnsn1 ZINC001151849140 1379799011 /nfs/dbraw/zinc/79/90/11/1379799011.db2.gz WVWKHDIQDKBDAN-AWEZNQCLSA-N 1 2 326.510 3.131 20 30 EGEDLO C=C[C@H](CC(=O)NCC[NH2+]Cc1ncc(C(C)C)o1)c1ccccc1 ZINC001151946944 1379823019 /nfs/dbraw/zinc/82/30/19/1379823019.db2.gz ORCWCDCPIVPDJB-MRXNPFEDSA-N 1 2 341.455 3.364 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1csc(CC)n1 ZINC001152842246 1379986081 /nfs/dbraw/zinc/98/60/81/1379986081.db2.gz SRJXBNBKRXRKRA-OAHLLOKOSA-N 1 2 335.517 3.226 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1csc(CC)n1 ZINC001152842246 1379986082 /nfs/dbraw/zinc/98/60/82/1379986082.db2.gz SRJXBNBKRXRKRA-OAHLLOKOSA-N 1 2 335.517 3.226 20 30 EGEDLO C=CCC1(C(=O)NCC[NH2+][C@@H](C)c2nc(C(C)C)no2)CCCC1 ZINC001153809053 1380133612 /nfs/dbraw/zinc/13/36/12/1380133612.db2.gz ABEFKWPHPXAQLG-AWEZNQCLSA-N 1 2 334.464 3.096 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@H+](CC(=C)Cl)CCC1(F)F ZINC001754743055 1440683568 /nfs/dbraw/zinc/68/35/68/1440683568.db2.gz CIRATUNHHMPKIJ-CYBMUJFWSA-N 1 2 334.838 3.415 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@@H+](CC(=C)Cl)CCC1(F)F ZINC001754743055 1440683569 /nfs/dbraw/zinc/68/35/69/1440683569.db2.gz CIRATUNHHMPKIJ-CYBMUJFWSA-N 1 2 334.838 3.415 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001154278364 1380246083 /nfs/dbraw/zinc/24/60/83/1380246083.db2.gz AAEHHSZIGFWSCE-MGPQQGTHSA-N 1 2 345.325 3.404 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001154278364 1380246084 /nfs/dbraw/zinc/24/60/84/1380246084.db2.gz AAEHHSZIGFWSCE-MGPQQGTHSA-N 1 2 345.325 3.404 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1nccn1C(F)F ZINC001154750830 1380345201 /nfs/dbraw/zinc/34/52/01/1380345201.db2.gz CBHCVEOJFCMWLE-ZIAGYGMSSA-N 1 2 342.434 3.207 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nccn1C(F)F ZINC001154750830 1380345206 /nfs/dbraw/zinc/34/52/06/1380345206.db2.gz CBHCVEOJFCMWLE-ZIAGYGMSSA-N 1 2 342.434 3.207 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1csnc1OC ZINC001154756771 1380346749 /nfs/dbraw/zinc/34/67/49/1380346749.db2.gz FVBCRMNRJDHDDQ-KGLIPLIRSA-N 1 2 339.505 3.081 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1csnc1OC ZINC001154756771 1380346750 /nfs/dbraw/zinc/34/67/50/1380346750.db2.gz FVBCRMNRJDHDDQ-KGLIPLIRSA-N 1 2 339.505 3.081 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[N@H+](CC)Cc1nc2c(o1)CCCC2 ZINC001155073585 1380403668 /nfs/dbraw/zinc/40/36/68/1380403668.db2.gz YIKZMQAZVNSPAC-QRWLVFNGSA-N 1 2 347.503 3.482 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc2c(o1)CCCC2 ZINC001155073585 1380403671 /nfs/dbraw/zinc/40/36/71/1380403671.db2.gz YIKZMQAZVNSPAC-QRWLVFNGSA-N 1 2 347.503 3.482 20 30 EGEDLO N#CCc1cnc(N2CC[N@@H+]3CCc4ccccc4[C@H]3C2)c(Cl)c1 ZINC001155102622 1380408969 /nfs/dbraw/zinc/40/89/69/1380408969.db2.gz AFCGGBRGOHBSDL-GOSISDBHSA-N 1 2 338.842 3.220 20 30 EGEDLO N#CCc1cnc(N2CC[N@H+]3CCc4ccccc4[C@H]3C2)c(Cl)c1 ZINC001155102622 1380408970 /nfs/dbraw/zinc/40/89/70/1380408970.db2.gz AFCGGBRGOHBSDL-GOSISDBHSA-N 1 2 338.842 3.220 20 30 EGEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCc4c([nH]nc4C(F)(F)F)C3)c12 ZINC001157347402 1380848242 /nfs/dbraw/zinc/84/82/42/1380848242.db2.gz NTYNXDPNYWFDKS-ZDUSSCGKSA-N 1 2 332.289 3.295 20 30 EGEDLO C=CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC(=C)Br ZINC001157706047 1381009467 /nfs/dbraw/zinc/00/94/67/1381009467.db2.gz SHMONSXRQSJWNF-CQSZACIVSA-N 1 2 329.282 3.174 20 30 EGEDLO C=CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC(=C)Br ZINC001157706047 1381009471 /nfs/dbraw/zinc/00/94/71/1381009471.db2.gz SHMONSXRQSJWNF-CQSZACIVSA-N 1 2 329.282 3.174 20 30 EGEDLO C#CCCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nc(C)cs1 ZINC001157849537 1381050127 /nfs/dbraw/zinc/05/01/27/1381050127.db2.gz CWXRWEODEFGURY-QGZVFWFLSA-N 1 2 347.528 3.458 20 30 EGEDLO C#CCCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nc(C)cs1 ZINC001157849537 1381050133 /nfs/dbraw/zinc/05/01/33/1381050133.db2.gz CWXRWEODEFGURY-QGZVFWFLSA-N 1 2 347.528 3.458 20 30 EGEDLO CC(C)C#CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(C2CC2)o1 ZINC001157939822 1381076484 /nfs/dbraw/zinc/07/64/84/1381076484.db2.gz NEGAVMFZEJUGNJ-QGZVFWFLSA-N 1 2 343.471 3.024 20 30 EGEDLO CC(C)C#CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC001157939822 1381076490 /nfs/dbraw/zinc/07/64/90/1381076490.db2.gz NEGAVMFZEJUGNJ-QGZVFWFLSA-N 1 2 343.471 3.024 20 30 EGEDLO C[N@@H+](Cc1nccs1)C[C@H]1CCCCN1C(=O)C#CC(C)(C)C ZINC001157964381 1381083382 /nfs/dbraw/zinc/08/33/82/1381083382.db2.gz AEVKUNSIAWSBSV-OAHLLOKOSA-N 1 2 333.501 3.006 20 30 EGEDLO C[N@H+](Cc1nccs1)C[C@H]1CCCCN1C(=O)C#CC(C)(C)C ZINC001157964381 1381083390 /nfs/dbraw/zinc/08/33/90/1381083390.db2.gz AEVKUNSIAWSBSV-OAHLLOKOSA-N 1 2 333.501 3.006 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(C)o1 ZINC001157999735 1381097895 /nfs/dbraw/zinc/09/78/95/1381097895.db2.gz SKGDHZXHLMVLNT-MRXNPFEDSA-N 1 2 333.476 3.398 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(C)o1 ZINC001157999735 1381097907 /nfs/dbraw/zinc/09/79/07/1381097907.db2.gz SKGDHZXHLMVLNT-MRXNPFEDSA-N 1 2 333.476 3.398 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(C)cn1 ZINC001158005345 1381100770 /nfs/dbraw/zinc/10/07/70/1381100770.db2.gz PVOSTOUCOBLUPS-QGZVFWFLSA-N 1 2 344.503 3.200 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(C)cn1 ZINC001158005345 1381100777 /nfs/dbraw/zinc/10/07/77/1381100777.db2.gz PVOSTOUCOBLUPS-QGZVFWFLSA-N 1 2 344.503 3.200 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC001158005430 1381100839 /nfs/dbraw/zinc/10/08/39/1381100839.db2.gz VBOZISBPDTVVHQ-GOEBONIOSA-N 1 2 348.491 3.354 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC001158005430 1381100847 /nfs/dbraw/zinc/10/08/47/1381100847.db2.gz VBOZISBPDTVVHQ-GOEBONIOSA-N 1 2 348.491 3.354 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCCN1C(=O)CCCF ZINC001158329315 1381203127 /nfs/dbraw/zinc/20/31/27/1381203127.db2.gz MNTYHQHDXGYIFL-GOSISDBHSA-N 1 2 349.425 3.260 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCCN1C(=O)CCCF ZINC001158329315 1381203130 /nfs/dbraw/zinc/20/31/30/1381203130.db2.gz MNTYHQHDXGYIFL-GOSISDBHSA-N 1 2 349.425 3.260 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@@H](C)c1nc(CC)no1 ZINC001158426510 1381241608 /nfs/dbraw/zinc/24/16/08/1381241608.db2.gz LZBNYQCYBDNQDJ-JKSUJKDBSA-N 1 2 348.491 3.362 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@@H](C)c1nc(CC)no1 ZINC001158426510 1381241611 /nfs/dbraw/zinc/24/16/11/1381241611.db2.gz LZBNYQCYBDNQDJ-JKSUJKDBSA-N 1 2 348.491 3.362 20 30 EGEDLO Cc1cc(Cl)nc(N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)c1C#N ZINC001158623354 1381327524 /nfs/dbraw/zinc/32/75/24/1381327524.db2.gz GJCXTAXZAGMQJD-CYBMUJFWSA-N 1 2 340.805 3.225 20 30 EGEDLO N#CC12CCC(Nc3cc(N4CCSCC4)nc[nH+]3)(CC1)CC2 ZINC001158789048 1381400768 /nfs/dbraw/zinc/40/07/68/1381400768.db2.gz PTIQOFSTCWRENB-UHFFFAOYSA-N 1 2 329.473 3.058 20 30 EGEDLO N#CC12CCC(Nc3cc(N4CCSCC4)[nH+]cn3)(CC1)CC2 ZINC001158789048 1381400772 /nfs/dbraw/zinc/40/07/72/1381400772.db2.gz PTIQOFSTCWRENB-UHFFFAOYSA-N 1 2 329.473 3.058 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CC=C(CCNC(=O)CC2CC2)CC1 ZINC001159027398 1381520302 /nfs/dbraw/zinc/52/03/02/1381520302.db2.gz FZTWEVNRONDMBV-UHFFFAOYSA-N 1 2 341.430 3.136 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC=C(CCNC(=O)CC2CC2)CC1 ZINC001159027398 1381520309 /nfs/dbraw/zinc/52/03/09/1381520309.db2.gz FZTWEVNRONDMBV-UHFFFAOYSA-N 1 2 341.430 3.136 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)/C(C)=C/CC)CC1 ZINC001159488249 1381805697 /nfs/dbraw/zinc/80/56/97/1381805697.db2.gz MJFRCLXXTNUBSH-WLRTZDKTSA-N 1 2 341.293 3.390 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)/C(C)=C/CC)CC1 ZINC001159488249 1381805703 /nfs/dbraw/zinc/80/57/03/1381805703.db2.gz MJFRCLXXTNUBSH-WLRTZDKTSA-N 1 2 341.293 3.390 20 30 EGEDLO C#CCCCC(=O)NCCC1=CC[N@H+](Cc2ncc(C(C)C)o2)CC1 ZINC001159964387 1381951588 /nfs/dbraw/zinc/95/15/88/1381951588.db2.gz JSEDMHSWDHZZJQ-UHFFFAOYSA-N 1 2 343.471 3.240 20 30 EGEDLO C#CCCCC(=O)NCCC1=CC[N@@H+](Cc2ncc(C(C)C)o2)CC1 ZINC001159964387 1381951596 /nfs/dbraw/zinc/95/15/96/1381951596.db2.gz JSEDMHSWDHZZJQ-UHFFFAOYSA-N 1 2 343.471 3.240 20 30 EGEDLO C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)C(F)C(F)(F)F)CC1 ZINC001160196717 1382031057 /nfs/dbraw/zinc/03/10/57/1382031057.db2.gz XNAIJALZDFQKRB-OCCSQVGLSA-N 1 2 336.373 3.380 20 30 EGEDLO C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)C(F)C(F)(F)F)CC1 ZINC001160196717 1382031059 /nfs/dbraw/zinc/03/10/59/1382031059.db2.gz XNAIJALZDFQKRB-OCCSQVGLSA-N 1 2 336.373 3.380 20 30 EGEDLO C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001160196717 1382031061 /nfs/dbraw/zinc/03/10/61/1382031061.db2.gz XNAIJALZDFQKRB-OCCSQVGLSA-N 1 2 336.373 3.380 20 30 EGEDLO C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001160196717 1382031063 /nfs/dbraw/zinc/03/10/63/1382031063.db2.gz XNAIJALZDFQKRB-OCCSQVGLSA-N 1 2 336.373 3.380 20 30 EGEDLO C=CCCCC(=O)NCCC1=CC[N@H+](Cc2ncc(CC)o2)CC1 ZINC001161056547 1382284609 /nfs/dbraw/zinc/28/46/09/1382284609.db2.gz KKPBDBAOMFLEEM-UHFFFAOYSA-N 1 2 331.460 3.232 20 30 EGEDLO C=CCCCC(=O)NCCC1=CC[N@@H+](Cc2ncc(CC)o2)CC1 ZINC001161056547 1382284613 /nfs/dbraw/zinc/28/46/13/1382284613.db2.gz KKPBDBAOMFLEEM-UHFFFAOYSA-N 1 2 331.460 3.232 20 30 EGEDLO N#Cc1c(NCCCn2cc[nH+]c2)nc(Cl)cc1C(F)(F)F ZINC001161680984 1382479147 /nfs/dbraw/zinc/47/91/47/1382479147.db2.gz CXZRARLPORBBQY-UHFFFAOYSA-N 1 2 329.713 3.324 20 30 EGEDLO COCc1cccc([C@H](CO)Nc2[nH+]ccc3ccc(C#N)cc32)c1 ZINC001162913155 1382914797 /nfs/dbraw/zinc/91/47/97/1382914797.db2.gz XLMAKBPPIICBSE-IBGZPJMESA-N 1 2 333.391 3.398 20 30 EGEDLO Cc1ccc2nc(N3CC[NH2+]CC(F)(F)C3)c(C#N)c(Cl)c2c1 ZINC001164502168 1383194249 /nfs/dbraw/zinc/19/42/49/1383194249.db2.gz IFKFSHCQDQLDEX-UHFFFAOYSA-N 1 2 336.773 3.113 20 30 EGEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)c1ccc(-c2ccnc(Cl)c2)cc1 ZINC001164640539 1383212121 /nfs/dbraw/zinc/21/21/21/1383212121.db2.gz BONZQFFNXNZCIM-OAHLLOKOSA-N 1 2 348.784 3.249 20 30 EGEDLO CCCOCCNc1cc(/C=N/[S@](=O)C(C)(C)C)cc(C)[nH+]1 ZINC001167873065 1383762771 /nfs/dbraw/zinc/76/27/71/1383762771.db2.gz XZUBXBNLGAGVSY-YGYUYSJASA-N 1 2 325.478 3.110 20 30 EGEDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](CCOc1cccc(C#N)c1)C1CC1 ZINC001307833284 1384039381 /nfs/dbraw/zinc/03/93/81/1384039381.db2.gz FZEQPNQAGUFYFH-AWEZNQCLSA-N 1 2 330.428 3.132 20 30 EGEDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](CCOc1cccc(C#N)c1)C1CC1 ZINC001307833284 1384039385 /nfs/dbraw/zinc/03/93/85/1384039385.db2.gz FZEQPNQAGUFYFH-AWEZNQCLSA-N 1 2 330.428 3.132 20 30 EGEDLO C[C@H](CCCC[NH2+]CCC(F)(F)F)NC(=O)C(F)C(F)(F)F ZINC001170906708 1384408596 /nfs/dbraw/zinc/40/85/96/1384408596.db2.gz CPGDKUSLBYUXFI-BDAKNGLRSA-N 1 2 340.283 3.104 20 30 EGEDLO C[C@H](CCCC[NH2+]CCC(F)(F)F)NC(=O)[C@H](F)C(F)(F)F ZINC001170906708 1384408599 /nfs/dbraw/zinc/40/85/99/1384408599.db2.gz CPGDKUSLBYUXFI-BDAKNGLRSA-N 1 2 340.283 3.104 20 30 EGEDLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171195246 1384465846 /nfs/dbraw/zinc/46/58/46/1384465846.db2.gz QKOGCPURUUQULO-AUUYWEPGSA-N 1 2 340.398 3.002 20 30 EGEDLO NC(=O)c1ccc(C(=[NH2+])Nc2cc3cc[nH]c3cc2C(F)(F)F)cc1 ZINC001171256904 1384480219 /nfs/dbraw/zinc/48/02/19/1384480219.db2.gz NJUHXJHDNITSEI-UHFFFAOYSA-N 1 2 346.312 3.323 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCn2ccc3ccccc32)C1 ZINC001316951773 1384725480 /nfs/dbraw/zinc/72/54/80/1384725480.db2.gz LNIPYHWOSVIWDO-KRWDZBQOSA-N 1 2 345.874 3.365 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCn2ccc3ccccc32)C1 ZINC001316951773 1384725482 /nfs/dbraw/zinc/72/54/82/1384725482.db2.gz LNIPYHWOSVIWDO-KRWDZBQOSA-N 1 2 345.874 3.365 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccc(Cl)cc1OC)C1CC1 ZINC001317556979 1385327255 /nfs/dbraw/zinc/32/72/55/1385327255.db2.gz SFVAAGCUDADCGS-UHFFFAOYSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccc(Cl)cc1OC)C1CC1 ZINC001317556979 1385327258 /nfs/dbraw/zinc/32/72/58/1385327258.db2.gz SFVAAGCUDADCGS-UHFFFAOYSA-N 1 2 343.254 3.295 20 30 EGEDLO COC(=O)c1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)c(C#N)c1 ZINC001175713305 1385382630 /nfs/dbraw/zinc/38/26/30/1385382630.db2.gz BQAPPBHSISOPIY-UHFFFAOYSA-N 1 2 336.273 3.084 20 30 EGEDLO N#C[C@@]1(C(=O)N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)CC12CCCC2 ZINC001336025504 1388992352 /nfs/dbraw/zinc/99/23/52/1388992352.db2.gz PYHIHMKWNSSYBO-QFBILLFUSA-N 1 2 343.858 3.287 20 30 EGEDLO N#Cc1cc(Nc2ccc(CC[NH+]3CCOCC3)cc2)c(O)cc1F ZINC001176386319 1385572928 /nfs/dbraw/zinc/57/29/28/1385572928.db2.gz WCQOQCCLKHFBBR-UHFFFAOYSA-N 1 2 341.386 3.021 20 30 EGEDLO Cc1nc(Nc2ccc(F)c(C#N)c2)cc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC001176613055 1385640574 /nfs/dbraw/zinc/64/05/74/1385640574.db2.gz PXIOOHMWSFAVLT-TXEJJXNPSA-N 1 2 341.390 3.153 20 30 EGEDLO N#Cc1ncc(Br)cc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176743261 1385678653 /nfs/dbraw/zinc/67/86/53/1385678653.db2.gz HUUSHLBXLURBDZ-UHFFFAOYSA-N 1 2 344.216 3.455 20 30 EGEDLO Cc1cccc(C2=CC[N@@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)c1C ZINC001176856937 1385725056 /nfs/dbraw/zinc/72/50/56/1385725056.db2.gz RXMXQJFMFDXQGP-NRFANRHFSA-N 1 2 345.446 3.491 20 30 EGEDLO Cc1cccc(C2=CC[N@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)c1C ZINC001176856937 1385725060 /nfs/dbraw/zinc/72/50/60/1385725060.db2.gz RXMXQJFMFDXQGP-NRFANRHFSA-N 1 2 345.446 3.491 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C3(CC(C)C)CCC3)C[C@H]21 ZINC001177047388 1385784535 /nfs/dbraw/zinc/78/45/35/1385784535.db2.gz DSLRVWPGZFGRSM-QZTJIDSGSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(CC(C)C)CCC3)C[C@H]21 ZINC001177047388 1385784540 /nfs/dbraw/zinc/78/45/40/1385784540.db2.gz DSLRVWPGZFGRSM-QZTJIDSGSA-N 1 2 334.504 3.081 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001177107269 1385814895 /nfs/dbraw/zinc/81/48/95/1385814895.db2.gz PJVIFYNGFZJCPK-OALUTQOASA-N 1 2 342.483 3.091 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001177107269 1385814905 /nfs/dbraw/zinc/81/49/05/1385814905.db2.gz PJVIFYNGFZJCPK-OALUTQOASA-N 1 2 342.483 3.091 20 30 EGEDLO N#Cc1c[nH]c(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)c1 ZINC001319064169 1385950119 /nfs/dbraw/zinc/95/01/19/1385950119.db2.gz FMEKTMQSSAXEDB-UHFFFAOYSA-N 1 2 348.410 3.001 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[C@@H](OCC)C(C)C)CC2 ZINC001319402612 1386105283 /nfs/dbraw/zinc/10/52/83/1386105283.db2.gz LIJXHEMQHTUAOA-MRXNPFEDSA-N 1 2 342.911 3.115 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)c2nc(C3CC3)no2)[C@@H]1C ZINC001178791548 1386305305 /nfs/dbraw/zinc/30/53/05/1386305305.db2.gz HJPOPMAOGKVMIP-IPYPFGDCSA-N 1 2 346.475 3.189 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2nc(C3CCC3)no2)[C@@H]1C ZINC001179384317 1386468852 /nfs/dbraw/zinc/46/88/52/1386468852.db2.gz JFOUTOGFEFAOPI-DZKIICNBSA-N 1 2 346.475 3.018 20 30 EGEDLO C=C(C)CN(C)c1nnc([C@@H]2CCCC[N@@H+]2C)n1Cc1ccccc1 ZINC001340384946 1390280667 /nfs/dbraw/zinc/28/06/67/1390280667.db2.gz ZUTIJWMIHBBECR-SFHVURJKSA-N 1 2 339.487 3.496 20 30 EGEDLO C=C(C)CN(C)c1nnc([C@@H]2CCCC[N@H+]2C)n1Cc1ccccc1 ZINC001340384946 1390280669 /nfs/dbraw/zinc/28/06/69/1390280669.db2.gz ZUTIJWMIHBBECR-SFHVURJKSA-N 1 2 339.487 3.496 20 30 EGEDLO C=CCC[C@@H]1CCCN1c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1CC ZINC001340442428 1390289740 /nfs/dbraw/zinc/28/97/40/1390289740.db2.gz OIJHCZAMHDKLDZ-IAGOWNOFSA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCC[C@@H]1CCCN1c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1CC ZINC001340442428 1390289743 /nfs/dbraw/zinc/28/97/43/1390289743.db2.gz OIJHCZAMHDKLDZ-IAGOWNOFSA-N 1 2 347.507 3.015 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC[C@](C)(OC)CC1 ZINC001342005721 1390560691 /nfs/dbraw/zinc/56/06/91/1390560691.db2.gz UQHFZBIIGBNSHX-APWZRJJASA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC[C@](C)(OC)CC1 ZINC001342005721 1390560694 /nfs/dbraw/zinc/56/06/94/1390560694.db2.gz UQHFZBIIGBNSHX-APWZRJJASA-N 1 2 347.507 3.016 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCc2ccccc2C1 ZINC001342070878 1390567774 /nfs/dbraw/zinc/56/77/74/1390567774.db2.gz JDLYFQOAVXEKNT-SFHVURJKSA-N 1 2 337.471 3.184 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCc2ccccc2C1 ZINC001342070878 1390567776 /nfs/dbraw/zinc/56/77/76/1390567776.db2.gz JDLYFQOAVXEKNT-SFHVURJKSA-N 1 2 337.471 3.184 20 30 EGEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001342234712 1390589221 /nfs/dbraw/zinc/58/92/21/1390589221.db2.gz ZKKKTPDIRQMSIZ-IYBDPMFKSA-N 1 2 349.548 3.170 20 30 EGEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001342234711 1390589256 /nfs/dbraw/zinc/58/92/56/1390589256.db2.gz ZKKKTPDIRQMSIZ-HZPDHXFCSA-N 1 2 349.548 3.170 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](CF)C1 ZINC001342329854 1390601804 /nfs/dbraw/zinc/60/18/04/1390601804.db2.gz QSJNJDNWEUFWAK-JKSUJKDBSA-N 1 2 335.471 3.197 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](CF)C1 ZINC001342329854 1390601808 /nfs/dbraw/zinc/60/18/08/1390601808.db2.gz QSJNJDNWEUFWAK-JKSUJKDBSA-N 1 2 335.471 3.197 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC(CC#N)CC1 ZINC001342978342 1390680001 /nfs/dbraw/zinc/68/00/01/1390680001.db2.gz JPGKTDOUHBMQFI-QGZVFWFLSA-N 1 2 342.491 3.141 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC(CC#N)CC1 ZINC001342978342 1390680004 /nfs/dbraw/zinc/68/00/04/1390680004.db2.gz JPGKTDOUHBMQFI-QGZVFWFLSA-N 1 2 342.491 3.141 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](CC#N)C1 ZINC001343927143 1390744730 /nfs/dbraw/zinc/74/47/30/1390744730.db2.gz GRKTVUZKUSZBQY-SJORKVTESA-N 1 2 342.491 3.141 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](CC#N)C1 ZINC001343927143 1390744731 /nfs/dbraw/zinc/74/47/31/1390744731.db2.gz GRKTVUZKUSZBQY-SJORKVTESA-N 1 2 342.491 3.141 20 30 EGEDLO C[C@H](c1cccc(NC(=O)c2csc(C#N)c2)c1)[NH+]1CCOCC1 ZINC001344055565 1390752741 /nfs/dbraw/zinc/75/27/41/1390752741.db2.gz NNQGASTVSYNUSG-CYBMUJFWSA-N 1 2 341.436 3.265 20 30 EGEDLO CC(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC(CC#N)CC1 ZINC001344879654 1390821243 /nfs/dbraw/zinc/82/12/43/1390821243.db2.gz HPEAFIHHQXZOCX-UHFFFAOYSA-N 1 2 344.507 3.050 20 30 EGEDLO COC(=O)c1cnc([C@@H](C)[NH2+]C2CC(C#N)(c3ccccc3)C2)s1 ZINC001345660128 1390873187 /nfs/dbraw/zinc/87/31/87/1390873187.db2.gz KESFPJNFJUPIJA-LVIIFESRSA-N 1 2 341.436 3.204 20 30 EGEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)[C@H](C)CCC ZINC001346657702 1390967153 /nfs/dbraw/zinc/96/71/53/1390967153.db2.gz OYIBYPPIHNRNSV-IAGOWNOFSA-N 1 2 349.523 3.261 20 30 EGEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)[C@H](C)CCC ZINC001346657702 1390967156 /nfs/dbraw/zinc/96/71/56/1390967156.db2.gz OYIBYPPIHNRNSV-IAGOWNOFSA-N 1 2 349.523 3.261 20 30 EGEDLO N#Cc1sccc1C(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001347257202 1391040897 /nfs/dbraw/zinc/04/08/97/1391040897.db2.gz NGPYWZPMGUAVKB-AWEZNQCLSA-N 1 2 331.828 3.060 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001481412504 1394271665 /nfs/dbraw/zinc/27/16/65/1394271665.db2.gz XURQSAXNISCNEA-UCIFAOBLSA-N 1 2 336.907 3.344 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001481412504 1394271670 /nfs/dbraw/zinc/27/16/70/1394271670.db2.gz XURQSAXNISCNEA-UCIFAOBLSA-N 1 2 336.907 3.344 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CC12CCCC2 ZINC001484764359 1395518374 /nfs/dbraw/zinc/51/83/74/1395518374.db2.gz GMYZDVBBHIEVBC-CQSZACIVSA-N 1 2 343.309 3.256 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)[C@H]1CC12CCCC2 ZINC001484764359 1395518375 /nfs/dbraw/zinc/51/83/75/1395518375.db2.gz GMYZDVBBHIEVBC-CQSZACIVSA-N 1 2 343.309 3.256 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1c(F)cccc1F ZINC001699002612 1406817322 /nfs/dbraw/zinc/81/73/22/1406817322.db2.gz FANQTNREMGETHQ-UHFFFAOYSA-N 1 2 343.377 3.040 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1c(F)cccc1F ZINC001699002612 1406817327 /nfs/dbraw/zinc/81/73/27/1406817327.db2.gz FANQTNREMGETHQ-UHFFFAOYSA-N 1 2 343.377 3.040 20 30 EGEDLO CC(C)CC(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001494787045 1396495882 /nfs/dbraw/zinc/49/58/82/1396495882.db2.gz RDMVASQBLQRJCX-QGZVFWFLSA-N 1 2 345.462 3.460 20 30 EGEDLO CC(C)CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001494787045 1396495884 /nfs/dbraw/zinc/49/58/84/1396495884.db2.gz RDMVASQBLQRJCX-QGZVFWFLSA-N 1 2 345.462 3.460 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1csc(-c2ccco2)n1 ZINC001498368463 1396977236 /nfs/dbraw/zinc/97/72/36/1396977236.db2.gz VCFHJEOTIIZGLH-LLVKDONJSA-N 1 2 339.848 3.206 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1csc(-c2ccco2)n1 ZINC001498368463 1396977239 /nfs/dbraw/zinc/97/72/39/1396977239.db2.gz VCFHJEOTIIZGLH-LLVKDONJSA-N 1 2 339.848 3.206 20 30 EGEDLO C[N@H+](CCNC(=O)CCCC1CCCC1)Cc1ccccc1C#N ZINC001691000765 1404918600 /nfs/dbraw/zinc/91/86/00/1404918600.db2.gz RQIXWHQLEANVOS-UHFFFAOYSA-N 1 2 327.472 3.467 20 30 EGEDLO C[N@@H+](CCNC(=O)CCCC1CCCC1)Cc1ccccc1C#N ZINC001691000765 1404918601 /nfs/dbraw/zinc/91/86/01/1404918601.db2.gz RQIXWHQLEANVOS-UHFFFAOYSA-N 1 2 327.472 3.467 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2ccc3nccn3c2)C1 ZINC001691867362 1405588567 /nfs/dbraw/zinc/58/85/67/1405588567.db2.gz SFKNIADTYHSGHT-INIZCTEOSA-N 1 2 346.862 3.013 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccc3nccn3c2)C1 ZINC001691867362 1405588569 /nfs/dbraw/zinc/58/85/69/1405588569.db2.gz SFKNIADTYHSGHT-INIZCTEOSA-N 1 2 346.862 3.013 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CCc2c[nH]c3ccccc23)C1 ZINC001698572203 1406177290 /nfs/dbraw/zinc/17/72/90/1406177290.db2.gz BSZZWQCFQALBRM-INIZCTEOSA-N 1 2 345.874 3.386 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CCc2c[nH]c3ccccc23)C1 ZINC001698572203 1406177292 /nfs/dbraw/zinc/17/72/92/1406177292.db2.gz BSZZWQCFQALBRM-INIZCTEOSA-N 1 2 345.874 3.386 20 30 EGEDLO CCCCCCC(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001732153239 1428397543 /nfs/dbraw/zinc/39/75/43/1428397543.db2.gz VHHCFXULBOXOJU-KRWDZBQOSA-N 1 2 331.435 3.358 20 30 EGEDLO CCCCCCC(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001732153239 1428397544 /nfs/dbraw/zinc/39/75/44/1428397544.db2.gz VHHCFXULBOXOJU-KRWDZBQOSA-N 1 2 331.435 3.358 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cc(C)nn1C(CC)CC ZINC001700465876 1414072996 /nfs/dbraw/zinc/07/29/96/1414072996.db2.gz IUCCOYLENSWNRC-CQSZACIVSA-N 1 2 340.899 3.355 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cc(C)nn1C(CC)CC ZINC001700465876 1414073000 /nfs/dbraw/zinc/07/30/00/1414073000.db2.gz IUCCOYLENSWNRC-CQSZACIVSA-N 1 2 340.899 3.355 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCc2ccccc2F)[C@@H]1C ZINC001700890426 1414549888 /nfs/dbraw/zinc/54/98/88/1414549888.db2.gz WDRUUXFGLSHPNM-YOEHRIQHSA-N 1 2 338.854 3.480 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCc2ccccc2F)[C@@H]1C ZINC001700890426 1414549893 /nfs/dbraw/zinc/54/98/93/1414549893.db2.gz WDRUUXFGLSHPNM-YOEHRIQHSA-N 1 2 338.854 3.480 20 30 EGEDLO Cc1ccc(C(=O)N(C)CC[N@H+](C)Cc2ccccc2C#N)cc1C ZINC001732597815 1428840676 /nfs/dbraw/zinc/84/06/76/1428840676.db2.gz LZFXJRFTIPDGNM-UHFFFAOYSA-N 1 2 335.451 3.379 20 30 EGEDLO Cc1ccc(C(=O)N(C)CC[N@@H+](C)Cc2ccccc2C#N)cc1C ZINC001732597815 1428840685 /nfs/dbraw/zinc/84/06/85/1428840685.db2.gz LZFXJRFTIPDGNM-UHFFFAOYSA-N 1 2 335.451 3.379 20 30 EGEDLO C[N@H+](CCNC(=O)CC(C)(C)C1CC1)Cc1ccc(C#N)cc1F ZINC001713452368 1418099110 /nfs/dbraw/zinc/09/91/10/1418099110.db2.gz OENVJWGWHOGOBJ-UHFFFAOYSA-N 1 2 331.435 3.072 20 30 EGEDLO C[N@@H+](CCNC(=O)CC(C)(C)C1CC1)Cc1ccc(C#N)cc1F ZINC001713452368 1418099119 /nfs/dbraw/zinc/09/91/19/1418099119.db2.gz OENVJWGWHOGOBJ-UHFFFAOYSA-N 1 2 331.435 3.072 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)CC1CCCCC1 ZINC001713498657 1418214266 /nfs/dbraw/zinc/21/42/66/1418214266.db2.gz BTEHCSWDJALTIM-HNNXBMFYSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)CC1CCCCC1 ZINC001713498657 1418214270 /nfs/dbraw/zinc/21/42/70/1418214270.db2.gz BTEHCSWDJALTIM-HNNXBMFYSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)COc2ccsc2)C1 ZINC001713721161 1418494636 /nfs/dbraw/zinc/49/46/36/1418494636.db2.gz KUJNFZOYIZHKPU-CQSZACIVSA-N 1 2 342.892 3.192 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)COc2ccsc2)C1 ZINC001713721161 1418494640 /nfs/dbraw/zinc/49/46/40/1418494640.db2.gz KUJNFZOYIZHKPU-CQSZACIVSA-N 1 2 342.892 3.192 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)C1CCC2(CC2)CC1 ZINC001715524789 1420212971 /nfs/dbraw/zinc/21/29/71/1420212971.db2.gz VYDHXGQHTCHNHG-UHFFFAOYSA-N 1 2 339.483 3.419 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)C1CCC2(CC2)CC1 ZINC001715524789 1420212972 /nfs/dbraw/zinc/21/29/72/1420212972.db2.gz VYDHXGQHTCHNHG-UHFFFAOYSA-N 1 2 339.483 3.419 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc(COC(C)C)cc1 ZINC001722916891 1424255436 /nfs/dbraw/zinc/25/54/36/1424255436.db2.gz ZREBIVYXXMUVHR-HNNXBMFYSA-N 1 2 338.879 3.414 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(COC(C)C)cc1 ZINC001722916891 1424255441 /nfs/dbraw/zinc/25/54/41/1424255441.db2.gz ZREBIVYXXMUVHR-HNNXBMFYSA-N 1 2 338.879 3.414 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1cccs1 ZINC001724842084 1425191399 /nfs/dbraw/zinc/19/13/99/1425191399.db2.gz WXAIEJZXJBLPHW-UHFFFAOYSA-N 1 2 331.279 3.051 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1cccs1 ZINC001724842084 1425191398 /nfs/dbraw/zinc/19/13/98/1425191398.db2.gz WXAIEJZXJBLPHW-UHFFFAOYSA-N 1 2 331.279 3.051 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC001725203232 1425760921 /nfs/dbraw/zinc/76/09/21/1425760921.db2.gz SNKYLUUXUZHCAF-AWEZNQCLSA-N 1 2 331.847 3.484 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC001725203232 1425760926 /nfs/dbraw/zinc/76/09/26/1425760926.db2.gz SNKYLUUXUZHCAF-AWEZNQCLSA-N 1 2 331.847 3.484 20 30 EGEDLO C=C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(F)(F)C(F)F)C1)c1ccccc1 ZINC001752687363 1440199900 /nfs/dbraw/zinc/19/99/00/1440199900.db2.gz NYAQRPKGWJQEHP-IHRRRGAJSA-N 1 2 344.352 3.093 20 30 EGEDLO C=C(C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(C(C)C)no1 ZINC001752696251 1440201042 /nfs/dbraw/zinc/20/10/42/1440201042.db2.gz OORCJQOFRREOTE-MQVJKMGUSA-N 1 2 346.475 3.161 20 30 EGEDLO C=C(C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(C(C)C)no1 ZINC001752696251 1440201043 /nfs/dbraw/zinc/20/10/43/1440201043.db2.gz OORCJQOFRREOTE-MQVJKMGUSA-N 1 2 346.475 3.161 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=C)Br ZINC001752817223 1440218665 /nfs/dbraw/zinc/21/86/65/1440218665.db2.gz WJARASWODIWTQS-HNNXBMFYSA-N 1 2 341.293 3.059 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=C)Br ZINC001752817223 1440218666 /nfs/dbraw/zinc/21/86/66/1440218666.db2.gz WJARASWODIWTQS-HNNXBMFYSA-N 1 2 341.293 3.059 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)[C@H](C)c2nnc(CC)o2)C1 ZINC001752999138 1440263814 /nfs/dbraw/zinc/26/38/14/1440263814.db2.gz TYZJTDWVZOMHCB-CABCVRRESA-N 1 2 348.491 3.218 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@H]([N@H+](C)[C@H](C)c2nnc(CC)o2)C1 ZINC001752999138 1440263815 /nfs/dbraw/zinc/26/38/15/1440263815.db2.gz TYZJTDWVZOMHCB-CABCVRRESA-N 1 2 348.491 3.218 20 30 EGEDLO C#CCCCC(=O)NCC[N@@H+](C)Cc1nc(-c2ccsc2)oc1C ZINC001753047292 1440278136 /nfs/dbraw/zinc/27/81/36/1440278136.db2.gz DTTQQYCZTUQJSZ-UHFFFAOYSA-N 1 2 345.468 3.063 20 30 EGEDLO C#CCCCC(=O)NCC[N@H+](C)Cc1nc(-c2ccsc2)oc1C ZINC001753047292 1440278137 /nfs/dbraw/zinc/27/81/37/1440278137.db2.gz DTTQQYCZTUQJSZ-UHFFFAOYSA-N 1 2 345.468 3.063 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCC[N@H+](C)[C@@H](C)c1nc(-c2ccco2)no1 ZINC001753062877 1440284368 /nfs/dbraw/zinc/28/43/68/1440284368.db2.gz AQEITMXHYXHLNU-SCLBCKFNSA-N 1 2 346.431 3.041 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCC[N@@H+](C)[C@@H](C)c1nc(-c2ccco2)no1 ZINC001753062877 1440284369 /nfs/dbraw/zinc/28/43/69/1440284369.db2.gz AQEITMXHYXHLNU-SCLBCKFNSA-N 1 2 346.431 3.041 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)C1(CC)CCC1 ZINC001753110483 1440308361 /nfs/dbraw/zinc/30/83/61/1440308361.db2.gz OEXSCHGNTXLKKY-CYBMUJFWSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(CC)CCC1 ZINC001753110483 1440308362 /nfs/dbraw/zinc/30/83/62/1440308362.db2.gz OEXSCHGNTXLKKY-CYBMUJFWSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1[nH]c2ccccc2c1OC)C1CC1 ZINC001753165385 1440335860 /nfs/dbraw/zinc/33/58/60/1440335860.db2.gz VUUNYTBVJHXOJH-UHFFFAOYSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1[nH]c2ccccc2c1OC)C1CC1 ZINC001753165385 1440335861 /nfs/dbraw/zinc/33/58/61/1440335861.db2.gz VUUNYTBVJHXOJH-UHFFFAOYSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(CC)CC)C1 ZINC001753448812 1440405271 /nfs/dbraw/zinc/40/52/71/1440405271.db2.gz BQCYLNVKCRKYHF-CYBMUJFWSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(CC)CC)C1 ZINC001753448812 1440405272 /nfs/dbraw/zinc/40/52/72/1440405272.db2.gz BQCYLNVKCRKYHF-CYBMUJFWSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001753308538 1440355962 /nfs/dbraw/zinc/35/59/62/1440355962.db2.gz ZGOHSBSJMQBGSK-SESVDKBCSA-N 1 2 336.479 3.316 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001753308538 1440355963 /nfs/dbraw/zinc/35/59/63/1440355963.db2.gz ZGOHSBSJMQBGSK-SESVDKBCSA-N 1 2 336.479 3.316 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cnc3cc[nH]c3c2)C1 ZINC001753317767 1440360670 /nfs/dbraw/zinc/36/06/70/1440360670.db2.gz VQJUMZNSGREMAI-OAHLLOKOSA-N 1 2 346.862 3.242 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cnc3cc[nH]c3c2)C1 ZINC001753317767 1440360671 /nfs/dbraw/zinc/36/06/71/1440360671.db2.gz VQJUMZNSGREMAI-OAHLLOKOSA-N 1 2 346.862 3.242 20 30 EGEDLO CCCC[C@H](C)C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001753401269 1440391041 /nfs/dbraw/zinc/39/10/41/1440391041.db2.gz YJSOFPNSVMFRFG-AWEZNQCLSA-N 1 2 331.435 3.072 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1C[N@H+](Cc2ccc(C(C)C)cc2)CCO1 ZINC001753652554 1440456739 /nfs/dbraw/zinc/45/67/39/1440456739.db2.gz KCXJFVBGEYQMIQ-FQEVSTJZSA-N 1 2 344.499 3.483 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C(C)C)cc2)CCO1 ZINC001753652554 1440456740 /nfs/dbraw/zinc/45/67/40/1440456740.db2.gz KCXJFVBGEYQMIQ-FQEVSTJZSA-N 1 2 344.499 3.483 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1C[N@H+](Cc2cc(C)sc2C)CCO1 ZINC001753656055 1440457423 /nfs/dbraw/zinc/45/74/23/1440457423.db2.gz MGDQMIBKDWJRKI-QGZVFWFLSA-N 1 2 336.501 3.038 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1C[N@@H+](Cc2cc(C)sc2C)CCO1 ZINC001753656055 1440457424 /nfs/dbraw/zinc/45/74/24/1440457424.db2.gz MGDQMIBKDWJRKI-QGZVFWFLSA-N 1 2 336.501 3.038 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1cc(F)cc(F)c1 ZINC001753868223 1440516040 /nfs/dbraw/zinc/51/60/40/1440516040.db2.gz YAUZWBHKBGOPHY-UHFFFAOYSA-N 1 2 343.377 3.040 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1cc(F)cc(F)c1 ZINC001753868223 1440516041 /nfs/dbraw/zinc/51/60/41/1440516041.db2.gz YAUZWBHKBGOPHY-UHFFFAOYSA-N 1 2 343.377 3.040 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1sc(C)nc1CC(C)C ZINC001754316115 1440575455 /nfs/dbraw/zinc/57/54/55/1440575455.db2.gz QLKDQJMCECPIPU-GFCCVEGCSA-N 1 2 343.924 3.453 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1sc(C)nc1CC(C)C ZINC001754316115 1440575456 /nfs/dbraw/zinc/57/54/56/1440575456.db2.gz QLKDQJMCECPIPU-GFCCVEGCSA-N 1 2 343.924 3.453 20 30 EGEDLO C=C1CCC(C(=O)N[C@H](C)C[N@H+](C)Cc2cc(F)ccc2C#N)CC1 ZINC001754322250 1440578637 /nfs/dbraw/zinc/57/86/37/1440578637.db2.gz BFALKTDSASTFNF-OAHLLOKOSA-N 1 2 343.446 3.380 20 30 EGEDLO C=C1CCC(C(=O)N[C@H](C)C[N@@H+](C)Cc2cc(F)ccc2C#N)CC1 ZINC001754322250 1440578638 /nfs/dbraw/zinc/57/86/38/1440578638.db2.gz BFALKTDSASTFNF-OAHLLOKOSA-N 1 2 343.446 3.380 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC001754336408 1440586794 /nfs/dbraw/zinc/58/67/94/1440586794.db2.gz LIHBIJUSDACGSX-CQSZACIVSA-N 1 2 331.847 3.484 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC001754336408 1440586795 /nfs/dbraw/zinc/58/67/95/1440586795.db2.gz LIHBIJUSDACGSX-CQSZACIVSA-N 1 2 331.847 3.484 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCOC(C)C ZINC001754546832 1440627998 /nfs/dbraw/zinc/62/79/98/1440627998.db2.gz VISBNUVDSODDIP-CVEARBPZSA-N 1 2 328.884 3.009 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCOC(C)C ZINC001754546832 1440627999 /nfs/dbraw/zinc/62/79/99/1440627999.db2.gz VISBNUVDSODDIP-CVEARBPZSA-N 1 2 328.884 3.009 20 30 EGEDLO C#CCCCC(=O)NC1(C)CC[NH+](Cc2csc(CCC)n2)CC1 ZINC001754625959 1440646363 /nfs/dbraw/zinc/64/63/63/1440646363.db2.gz LXLFWYCCQPUUDP-UHFFFAOYSA-N 1 2 347.528 3.370 20 30 EGEDLO C#CCN(C(=O)C[C@H](C)CC)C1CC[NH+](Cc2cscn2)CC1 ZINC001754635265 1440648474 /nfs/dbraw/zinc/64/84/74/1440648474.db2.gz DJSARZDBGVMTQR-OAHLLOKOSA-N 1 2 333.501 3.006 20 30 EGEDLO C=CC(C)(C)C(=O)NCc1ccc([C@@H](C)[NH2+]Cc2nncs2)cc1 ZINC001754949285 1440714658 /nfs/dbraw/zinc/71/46/58/1440714658.db2.gz ZREKVNFMWOYFEP-CYBMUJFWSA-N 1 2 344.484 3.217 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H]1COCC[N@H+]1Cc1ccc(C)cc1C ZINC001754967578 1440718339 /nfs/dbraw/zinc/71/83/39/1440718339.db2.gz KUDWJQMYFDMXLJ-LJQANCHMSA-N 1 2 344.499 3.223 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H]1COCC[N@@H+]1Cc1ccc(C)cc1C ZINC001754967578 1440718340 /nfs/dbraw/zinc/71/83/40/1440718340.db2.gz KUDWJQMYFDMXLJ-LJQANCHMSA-N 1 2 344.499 3.223 20 30 EGEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)CCCCCC(C)C)C2)CC1 ZINC001755019759 1440726541 /nfs/dbraw/zinc/72/65/41/1440726541.db2.gz QZAFWIZJENBQAU-HXUWFJFHSA-N 1 2 349.563 3.388 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N(C)CCC[N@H+](C)Cc1nccn1C(F)F ZINC001755040796 1440737258 /nfs/dbraw/zinc/73/72/58/1440737258.db2.gz HHJIXFBPAHAXMG-UHFFFAOYSA-N 1 2 342.434 3.161 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N(C)CCC[N@@H+](C)Cc1nccn1C(F)F ZINC001755040796 1440737259 /nfs/dbraw/zinc/73/72/59/1440737259.db2.gz HHJIXFBPAHAXMG-UHFFFAOYSA-N 1 2 342.434 3.161 20 30 EGEDLO C=CCCCCC[NH+]1CC2(C1)CN(C(=O)c1cc(C)cs1)CCO2 ZINC001755049681 1440742778 /nfs/dbraw/zinc/74/27/78/1440742778.db2.gz OOJUMZUWIJJJOU-UHFFFAOYSA-N 1 2 348.512 3.330 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1COC2(C[NH+](CC3=CCCCC3)C2)C1 ZINC001755064677 1440744788 /nfs/dbraw/zinc/74/47/88/1440744788.db2.gz VOZHQWAHVZYKOY-QGZVFWFLSA-N 1 2 332.488 3.049 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](Cc2cc(C)on2)CC1(C)C ZINC001755138812 1440759454 /nfs/dbraw/zinc/75/94/54/1440759454.db2.gz PSMUZVYFWXJZNO-SFHVURJKSA-N 1 2 345.487 3.468 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](Cc2cc(C)on2)CC1(C)C ZINC001755138812 1440759455 /nfs/dbraw/zinc/75/94/55/1440759455.db2.gz PSMUZVYFWXJZNO-SFHVURJKSA-N 1 2 345.487 3.468 20 30 EGEDLO CCC1(C(=O)N[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@H](C)C2)CC1 ZINC001755162919 1440765483 /nfs/dbraw/zinc/76/54/83/1440765483.db2.gz BBYGHRNUKKJNBE-KDOFPFPSSA-N 1 2 343.446 3.357 20 30 EGEDLO CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@H](C)C2)CC1 ZINC001755162919 1440765484 /nfs/dbraw/zinc/76/54/84/1440765484.db2.gz BBYGHRNUKKJNBE-KDOFPFPSSA-N 1 2 343.446 3.357 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(CO)(NC(=O)[C@@H](C)CCC(C)(C)C)CC1 ZINC001755180913 1440771098 /nfs/dbraw/zinc/77/10/98/1440771098.db2.gz KFFDOLNWUNLEMR-AWEZNQCLSA-N 1 2 344.927 3.144 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C[C@H](C)CC ZINC001755191178 1440774809 /nfs/dbraw/zinc/77/48/09/1440774809.db2.gz GZXQJMAAZDNGMK-OCCSQVGLSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@H](C)CC ZINC001755191178 1440774810 /nfs/dbraw/zinc/77/48/10/1440774810.db2.gz GZXQJMAAZDNGMK-OCCSQVGLSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)/C=C(\C)CC ZINC001755192482 1440775408 /nfs/dbraw/zinc/77/54/08/1440775408.db2.gz GLPIQNNKQMWCCQ-TZIYXEQSSA-N 1 2 329.282 3.174 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)/C=C(\C)CC ZINC001755192482 1440775409 /nfs/dbraw/zinc/77/54/09/1440775409.db2.gz GLPIQNNKQMWCCQ-TZIYXEQSSA-N 1 2 329.282 3.174 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nc(C)c(C)o1 ZINC001755197626 1440777680 /nfs/dbraw/zinc/77/76/80/1440777680.db2.gz YOUSWXGHPMYSIB-GOSISDBHSA-N 1 2 345.487 3.298 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nc(C)c(C)o1 ZINC001755197626 1440777681 /nfs/dbraw/zinc/77/76/81/1440777681.db2.gz YOUSWXGHPMYSIB-GOSISDBHSA-N 1 2 345.487 3.298 20 30 EGEDLO C=C(Cl)C[NH2+]C[C@H](CCCC)NC(=O)c1n[nH]c2ccccc21 ZINC001755361387 1440831835 /nfs/dbraw/zinc/83/18/35/1440831835.db2.gz RULPRWYAFZVMOF-ZDUSSCGKSA-N 1 2 334.851 3.194 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(O)ccc2Cl)CC1(C)C ZINC001755405201 1440844052 /nfs/dbraw/zinc/84/40/52/1440844052.db2.gz IYXVVPBZQLEDTL-QGZVFWFLSA-N 1 2 348.874 3.176 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(O)ccc2Cl)CC1(C)C ZINC001755405201 1440844053 /nfs/dbraw/zinc/84/40/53/1440844053.db2.gz IYXVVPBZQLEDTL-QGZVFWFLSA-N 1 2 348.874 3.176 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2nc(C)oc2C)CC1(C)C ZINC001755410195 1440845808 /nfs/dbraw/zinc/84/58/08/1440845808.db2.gz MRCYTLIIGVUTLI-MRXNPFEDSA-N 1 2 333.476 3.220 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)oc2C)CC1(C)C ZINC001755410195 1440845809 /nfs/dbraw/zinc/84/58/09/1440845809.db2.gz MRCYTLIIGVUTLI-MRXNPFEDSA-N 1 2 333.476 3.220 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(C)oc2C)CC1(C)C ZINC001755410160 1440845868 /nfs/dbraw/zinc/84/58/68/1440845868.db2.gz MFIYEGCFVDMPEV-GOSISDBHSA-N 1 2 345.487 3.202 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2nc(C)oc2C)CC1(C)C ZINC001755410160 1440845869 /nfs/dbraw/zinc/84/58/69/1440845869.db2.gz MFIYEGCFVDMPEV-GOSISDBHSA-N 1 2 345.487 3.202 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCC(F)(F)F)C(C)(C)C1 ZINC001755412437 1440846826 /nfs/dbraw/zinc/84/68/26/1440846826.db2.gz UPFOABAFAODODX-LLVKDONJSA-N 1 2 326.790 3.298 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCC(F)(F)F)C(C)(C)C1 ZINC001755412437 1440846827 /nfs/dbraw/zinc/84/68/27/1440846827.db2.gz UPFOABAFAODODX-LLVKDONJSA-N 1 2 326.790 3.298 20 30 EGEDLO C=CCCCC(=O)N[C@H]1C[N@@H+](Cc2ccncc2Cl)CC1(C)C ZINC001755413804 1440847508 /nfs/dbraw/zinc/84/75/08/1440847508.db2.gz JRQXHFGMGKLNLI-INIZCTEOSA-N 1 2 335.879 3.418 20 30 EGEDLO C=CCCCC(=O)N[C@H]1C[N@H+](Cc2ccncc2Cl)CC1(C)C ZINC001755413804 1440847509 /nfs/dbraw/zinc/84/75/09/1440847509.db2.gz JRQXHFGMGKLNLI-INIZCTEOSA-N 1 2 335.879 3.418 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CCC[N@H+](Cc2cccc(Cl)n2)[C@H]1C ZINC001755715853 1440905171 /nfs/dbraw/zinc/90/51/71/1440905171.db2.gz FELRDSVLJNGUGR-RDJZCZTQSA-N 1 2 347.890 3.398 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(Cl)n2)[C@H]1C ZINC001755715853 1440905172 /nfs/dbraw/zinc/90/51/72/1440905172.db2.gz FELRDSVLJNGUGR-RDJZCZTQSA-N 1 2 347.890 3.398 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)[C@H]1COc2ccccc21)C(C)C ZINC001755815225 1440923192 /nfs/dbraw/zinc/92/31/92/1440923192.db2.gz DUQRMXGJXFPQQO-INIZCTEOSA-N 1 2 336.863 3.084 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)[C@H]1COc2ccccc21)C(C)C ZINC001755815225 1440923193 /nfs/dbraw/zinc/92/31/93/1440923193.db2.gz DUQRMXGJXFPQQO-INIZCTEOSA-N 1 2 336.863 3.084 20 30 EGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)CCCOc2ccccc2)CC1 ZINC001755897939 1440942999 /nfs/dbraw/zinc/94/29/99/1440942999.db2.gz QSJWBANFSWIHCM-UHFFFAOYSA-N 1 2 348.874 3.346 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)CCCOc2ccccc2)CC1 ZINC001755897939 1440943000 /nfs/dbraw/zinc/94/30/00/1440943000.db2.gz QSJWBANFSWIHCM-UHFFFAOYSA-N 1 2 348.874 3.346 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000183979609 235277394 /nfs/dbraw/zinc/27/73/94/235277394.db2.gz CRSRVNRNVKZZLB-OAHLLOKOSA-N 1 2 337.398 3.216 20 30 EGEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCc4cccc(F)c4C3)C2=O)cc1 ZINC000352780852 283157798 /nfs/dbraw/zinc/15/77/98/283157798.db2.gz WFCFPEFGLSGRAM-HXUWFJFHSA-N 1 2 349.409 3.251 20 30 EGEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCc4cccc(F)c4C3)C2=O)cc1 ZINC000352780852 283157802 /nfs/dbraw/zinc/15/78/02/283157802.db2.gz WFCFPEFGLSGRAM-HXUWFJFHSA-N 1 2 349.409 3.251 20 30 EGEDLO C#CCOc1ccc(C[NH2+]C2(c3noc(C)n3)CCCCC2)cc1 ZINC000264960666 201213565 /nfs/dbraw/zinc/21/35/65/201213565.db2.gz NZRAMRFOUPAQHP-UHFFFAOYSA-N 1 2 325.412 3.339 20 30 EGEDLO C=CC[N@H+](Cc1csc(CC(=O)Nc2ccccc2)n1)C1CC1 ZINC000271476375 201243377 /nfs/dbraw/zinc/24/33/77/201243377.db2.gz SALDPIJLFKXXEM-UHFFFAOYSA-N 1 2 327.453 3.475 20 30 EGEDLO C=CC[N@@H+](Cc1csc(CC(=O)Nc2ccccc2)n1)C1CC1 ZINC000271476375 201243381 /nfs/dbraw/zinc/24/33/81/201243381.db2.gz SALDPIJLFKXXEM-UHFFFAOYSA-N 1 2 327.453 3.475 20 30 EGEDLO C=CCN(C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C1CC1 ZINC000271561298 201244904 /nfs/dbraw/zinc/24/49/04/201244904.db2.gz PRLPMMXNECQEPY-HNNXBMFYSA-N 1 2 329.444 3.262 20 30 EGEDLO C=C(C)[C@H](CC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)OCC ZINC000270015931 201236321 /nfs/dbraw/zinc/23/63/21/201236321.db2.gz CCHWXCVTVHTNRK-SFHVURJKSA-N 1 2 345.487 3.450 20 30 EGEDLO CC#CCCCC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000274316903 201268310 /nfs/dbraw/zinc/26/83/10/201268310.db2.gz JLMSMGYHQRNCIU-UHFFFAOYSA-N 1 2 348.244 3.215 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)cc1Cl ZINC000279736158 201321132 /nfs/dbraw/zinc/32/11/32/201321132.db2.gz WRDNYUXZCDXTES-KDOFPFPSSA-N 1 2 337.847 3.285 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)cc1Cl ZINC000279736158 201321136 /nfs/dbraw/zinc/32/11/36/201321136.db2.gz WRDNYUXZCDXTES-KDOFPFPSSA-N 1 2 337.847 3.285 20 30 EGEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(CCCO)CC1 ZINC000287561599 201334547 /nfs/dbraw/zinc/33/45/47/201334547.db2.gz BHHWNJZNJKEUPC-UHFFFAOYSA-N 1 2 337.261 3.305 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c(C#N)c1C ZINC000264147687 246109984 /nfs/dbraw/zinc/10/99/84/246109984.db2.gz CKBGPQXOBOTTPW-HNNXBMFYSA-N 1 2 341.386 3.335 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H](c3cccc(F)c3)C2)c(C#N)c1C ZINC000264147687 246109988 /nfs/dbraw/zinc/10/99/88/246109988.db2.gz CKBGPQXOBOTTPW-HNNXBMFYSA-N 1 2 341.386 3.335 20 30 EGEDLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(F)c(C#N)c1 ZINC000177503369 207345808 /nfs/dbraw/zinc/34/58/08/207345808.db2.gz FVCURZBDHVRWQL-UHFFFAOYSA-N 1 2 341.386 3.167 20 30 EGEDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(F)c(C#N)c1 ZINC000177503369 207345812 /nfs/dbraw/zinc/34/58/12/207345812.db2.gz FVCURZBDHVRWQL-UHFFFAOYSA-N 1 2 341.386 3.167 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000338131057 141099259 /nfs/dbraw/zinc/09/92/59/141099259.db2.gz GJKVDXNNRLPYFX-TWGQIWQCSA-N 1 2 345.446 3.338 20 30 EGEDLO C[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(C#N)cc1 ZINC000338371075 141109627 /nfs/dbraw/zinc/10/96/27/141109627.db2.gz HFMKLIQVXVKUSI-LBPRGKRZSA-N 1 2 349.350 3.367 20 30 EGEDLO Cc1nsc(N2CC[NH+](Cc3ccc(F)c(C)c3)CC2)c1C#N ZINC000356283389 141335742 /nfs/dbraw/zinc/33/57/42/141335742.db2.gz NNDBMMDTIVKOOA-UHFFFAOYSA-N 1 2 330.432 3.093 20 30 EGEDLO CC(C)S(=O)(=O)c1ccc(C[N@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000359614544 141386168 /nfs/dbraw/zinc/38/61/68/141386168.db2.gz ZNCKHJYVXFPQID-UHFFFAOYSA-N 1 2 342.464 3.372 20 30 EGEDLO CC(C)S(=O)(=O)c1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000359614544 141386171 /nfs/dbraw/zinc/38/61/71/141386171.db2.gz ZNCKHJYVXFPQID-UHFFFAOYSA-N 1 2 342.464 3.372 20 30 EGEDLO CCc1nc(CN2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)cs1 ZINC000192089669 153241544 /nfs/dbraw/zinc/24/15/44/153241544.db2.gz RUVIEDPZQHMUSK-UHFFFAOYSA-N 1 2 344.459 3.034 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1F ZINC000192139069 153245518 /nfs/dbraw/zinc/24/55/18/153245518.db2.gz YCJWAPYCRSILFI-HNNXBMFYSA-N 1 2 325.391 3.072 20 30 EGEDLO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000336836062 154215899 /nfs/dbraw/zinc/21/58/99/154215899.db2.gz KKSVNQXKDVRBBM-WBMJQRKESA-N 1 2 337.261 3.446 20 30 EGEDLO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000336836062 154215902 /nfs/dbraw/zinc/21/59/02/154215902.db2.gz KKSVNQXKDVRBBM-WBMJQRKESA-N 1 2 337.261 3.446 20 30 EGEDLO Cc1cc(NC(=O)c2cnccc2C#N)c[nH+]c1N1CCCC[C@H]1C ZINC000345385356 156081121 /nfs/dbraw/zinc/08/11/21/156081121.db2.gz HYBRMTCAORLPTE-CQSZACIVSA-N 1 2 335.411 3.288 20 30 EGEDLO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000368854135 157307301 /nfs/dbraw/zinc/30/73/01/157307301.db2.gz MODGFXXFVHZCIQ-QGZVFWFLSA-N 1 2 329.375 3.093 20 30 EGEDLO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000368854135 157307306 /nfs/dbraw/zinc/30/73/06/157307306.db2.gz MODGFXXFVHZCIQ-QGZVFWFLSA-N 1 2 329.375 3.093 20 30 EGEDLO N#Cc1cnc2c(F)ccc(Cl)c2c1NCCNc1cccc[nH+]1 ZINC000338340559 163215440 /nfs/dbraw/zinc/21/54/40/163215440.db2.gz UKZNWFBBMFJXRM-UHFFFAOYSA-N 1 2 341.777 3.240 20 30 EGEDLO N#Cc1ccc(SCc2nc(Cc3cn4ccccc4[nH+]3)no2)cc1 ZINC000355644762 166270452 /nfs/dbraw/zinc/27/04/52/166270452.db2.gz DUUUJKCGHMHUOC-UHFFFAOYSA-N 1 2 347.403 3.472 20 30 EGEDLO C[N@H+](Cc1csc2ccccc12)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360285254 167289409 /nfs/dbraw/zinc/28/94/09/167289409.db2.gz JGHQAICCGTWLSS-SFHVURJKSA-N 1 2 335.432 3.431 20 30 EGEDLO C[N@@H+](Cc1csc2ccccc12)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360285254 167289411 /nfs/dbraw/zinc/28/94/11/167289411.db2.gz JGHQAICCGTWLSS-SFHVURJKSA-N 1 2 335.432 3.431 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(C#N)cs1)c1ccccc1F ZINC000364124885 167931697 /nfs/dbraw/zinc/93/16/97/167931697.db2.gz BJTWMQOTCLXXSD-HNNXBMFYSA-N 1 2 340.383 3.012 20 30 EGEDLO N#Cc1ccc(Br)c(C[NH2+][C@@H](CO)c2ccc(F)cc2)c1 ZINC000491605872 269956581 /nfs/dbraw/zinc/95/65/81/269956581.db2.gz ZOPWDMWNQXPLFY-INIZCTEOSA-N 1 2 349.203 3.283 20 30 EGEDLO N#Cc1ccnc(Nc2ccc([NH2+]C3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000301646518 270044194 /nfs/dbraw/zinc/04/41/94/270044194.db2.gz NYKSCLRCUPWMBM-UHFFFAOYSA-N 1 2 339.355 3.196 20 30 EGEDLO Cc1cccc(Cl)c1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000450481245 270053057 /nfs/dbraw/zinc/05/30/57/270053057.db2.gz DAFDZEGFRPCQLU-CQSZACIVSA-N 1 2 341.846 3.021 20 30 EGEDLO Cc1cccc(Cl)c1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000450481245 270053058 /nfs/dbraw/zinc/05/30/58/270053058.db2.gz DAFDZEGFRPCQLU-CQSZACIVSA-N 1 2 341.846 3.021 20 30 EGEDLO COC(=O)c1cccc(COc2ccccc2-n2cc[nH+]c2)c1C#N ZINC000533715294 270061106 /nfs/dbraw/zinc/06/11/06/270061106.db2.gz IKGOFGCLVSXRIB-UHFFFAOYSA-N 1 2 333.347 3.110 20 30 EGEDLO N#Cc1ccc(C2=CCN(C(=O)NCCCCn3cc[nH+]c3)CC2)cc1 ZINC000534310287 270061200 /nfs/dbraw/zinc/06/12/00/270061200.db2.gz DJLLEBFJWJNWQZ-UHFFFAOYSA-N 1 2 349.438 3.034 20 30 EGEDLO Cc1c(Cl)cnc(N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1C#N ZINC000273394453 267033150 /nfs/dbraw/zinc/03/31/50/267033150.db2.gz VLUFJMHOKWNDNX-CQSZACIVSA-N 1 2 341.846 3.193 20 30 EGEDLO CCC[C@H]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000448578040 267038030 /nfs/dbraw/zinc/03/80/30/267038030.db2.gz MLYGYLYNRZAAEW-VQTJNVASSA-N 1 2 339.483 3.419 20 30 EGEDLO CCN(CC)c1ccc(CNc2ccc(C(F)(F)F)c(C#N)n2)c[nH+]1 ZINC000443516685 267061557 /nfs/dbraw/zinc/06/15/57/267061557.db2.gz NOKPZMMFIVZHGA-UHFFFAOYSA-N 1 2 349.360 3.247 20 30 EGEDLO Cc1nc(C[NH2+]Cc2ccc(C#N)s2)sc1Br ZINC000449399636 268077162 /nfs/dbraw/zinc/07/71/62/268077162.db2.gz CJSBVNOZVZWHDH-UHFFFAOYSA-N 1 2 328.260 3.437 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H](C(F)(F)F)C3)o2)c1 ZINC000331264833 268228790 /nfs/dbraw/zinc/22/87/90/268228790.db2.gz OWZVVJDAKKQETB-ZDUSSCGKSA-N 1 2 336.317 3.383 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H](C(F)(F)F)C3)o2)c1 ZINC000331264833 268228792 /nfs/dbraw/zinc/22/87/92/268228792.db2.gz OWZVVJDAKKQETB-ZDUSSCGKSA-N 1 2 336.317 3.383 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](CCOc3ccccc3F)CC2)c(F)c1 ZINC000507164760 268235187 /nfs/dbraw/zinc/23/51/87/268235187.db2.gz KOXWUJBZUSPQBK-UHFFFAOYSA-N 1 2 343.377 3.037 20 30 EGEDLO N#Cc1cnc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)c(F)c1 ZINC000413222117 268312981 /nfs/dbraw/zinc/31/29/81/268312981.db2.gz JWRDMDVMOYXMJU-UHFFFAOYSA-N 1 2 347.397 3.094 20 30 EGEDLO COc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc1F ZINC000070791757 307376917 /nfs/dbraw/zinc/37/69/17/307376917.db2.gz CRMWOWBHBXTSLM-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO C[C@H]1CCN(c2cc(C(F)(F)F)cnc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000564544643 316165571 /nfs/dbraw/zinc/16/55/71/316165571.db2.gz SNTHXIQHAZZVDW-NHYWBVRUSA-N 1 2 335.333 3.256 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCC(C(C)(C)C)CC1)[NH+]1CCSCC1 ZINC000187298140 455891784 /nfs/dbraw/zinc/89/17/84/455891784.db2.gz DAEPMCJNBGOLDF-SYJJWHGVSA-N 1 2 337.533 3.039 20 30 EGEDLO CCOc1cc(C[N@H+](C)C[C@@H](C)C#N)cc(Br)c1OC ZINC000271114618 456130177 /nfs/dbraw/zinc/13/01/77/456130177.db2.gz DHTOBEADYZKTRL-NSHDSACASA-N 1 2 341.249 3.448 20 30 EGEDLO CCOc1cc(C[N@@H+](C)C[C@@H](C)C#N)cc(Br)c1OC ZINC000271114618 456130180 /nfs/dbraw/zinc/13/01/80/456130180.db2.gz DHTOBEADYZKTRL-NSHDSACASA-N 1 2 341.249 3.448 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+]2C[C@@H](C)C[C@H]2c2cccnc2)c1C#N ZINC000580970318 325316271 /nfs/dbraw/zinc/31/62/71/325316271.db2.gz NKMAUICUHKEDEP-LIRRHRJNSA-N 1 2 335.407 3.323 20 30 EGEDLO COC(=O)c1cccc(C[N@H+]2C[C@@H](C)C[C@H]2c2cccnc2)c1C#N ZINC000580970318 325316274 /nfs/dbraw/zinc/31/62/74/325316274.db2.gz NKMAUICUHKEDEP-LIRRHRJNSA-N 1 2 335.407 3.323 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000339456230 457124205 /nfs/dbraw/zinc/12/42/05/457124205.db2.gz WLALRCQUBVWZSE-CZUORRHYSA-N 1 2 348.409 3.007 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000339456230 457124216 /nfs/dbraw/zinc/12/42/16/457124216.db2.gz WLALRCQUBVWZSE-CZUORRHYSA-N 1 2 348.409 3.007 20 30 EGEDLO Cc1cc(NC(=O)NC[C@@H](C)[NH+]2CCOCC2)cc(C)c1Cl ZINC000331283174 457159683 /nfs/dbraw/zinc/15/96/83/457159683.db2.gz WCPQDCHXTZGPKB-CYBMUJFWSA-N 1 2 325.840 3.003 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C(F)(F)F)CC1 ZINC000173010670 455219052 /nfs/dbraw/zinc/21/90/52/455219052.db2.gz UDBXLOVFMHXIJK-NSHDSACASA-N 1 2 325.334 3.160 20 30 EGEDLO COc1cc2[nH+]ccc(NCC(C)(C)C#N)c2cc1Br ZINC000425244129 457469465 /nfs/dbraw/zinc/46/94/65/457469465.db2.gz HARYFICMTYOVOC-UHFFFAOYSA-N 1 2 334.217 3.389 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C(F)(F)F)CC1 ZINC000173010674 455219725 /nfs/dbraw/zinc/21/97/25/455219725.db2.gz UDBXLOVFMHXIJK-LLVKDONJSA-N 1 2 325.334 3.160 20 30 EGEDLO N#CCOc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000264545846 455234154 /nfs/dbraw/zinc/23/41/54/455234154.db2.gz JMNFDYPLDUXPFJ-LJQANCHMSA-N 1 2 326.371 3.302 20 30 EGEDLO N#CCOc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000264545846 455234159 /nfs/dbraw/zinc/23/41/59/455234159.db2.gz JMNFDYPLDUXPFJ-LJQANCHMSA-N 1 2 326.371 3.302 20 30 EGEDLO N#Cc1cccc(Cl)c1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000264644782 455255612 /nfs/dbraw/zinc/25/56/12/455255612.db2.gz NMYIOGKYZQDEPR-UHFFFAOYSA-N 1 2 328.803 3.055 20 30 EGEDLO C[C@@]1(C#N)CCC[N@H+](C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000612167524 460558872 /nfs/dbraw/zinc/55/88/72/460558872.db2.gz NXDYQGNXBGJSSX-BBRMVZONSA-N 1 2 342.361 3.071 20 30 EGEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000612167524 460558878 /nfs/dbraw/zinc/55/88/78/460558878.db2.gz NXDYQGNXBGJSSX-BBRMVZONSA-N 1 2 342.361 3.071 20 30 EGEDLO CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000007977698 453142496 /nfs/dbraw/zinc/14/24/96/453142496.db2.gz QFKKQMSIAZUOIK-UHFFFAOYSA-N 1 2 325.437 3.351 20 30 EGEDLO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000007977698 453142505 /nfs/dbraw/zinc/14/25/05/453142505.db2.gz QFKKQMSIAZUOIK-UHFFFAOYSA-N 1 2 325.437 3.351 20 30 EGEDLO C=CC[N@@H+](CC(=O)c1[nH]c(C)c(C(=O)OC)c1C)Cc1cccs1 ZINC000019540579 453657900 /nfs/dbraw/zinc/65/79/00/453657900.db2.gz LBONFPUACNTTNS-UHFFFAOYSA-N 1 2 346.452 3.351 20 30 EGEDLO C=CC[N@H+](CC(=O)c1[nH]c(C)c(C(=O)OC)c1C)Cc1cccs1 ZINC000019540579 453657905 /nfs/dbraw/zinc/65/79/05/453657905.db2.gz LBONFPUACNTTNS-UHFFFAOYSA-N 1 2 346.452 3.351 20 30 EGEDLO CCn1ccc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)c1 ZINC000616785350 460618654 /nfs/dbraw/zinc/61/86/54/460618654.db2.gz OLHAEGLIZXGOCK-UHFFFAOYSA-N 1 2 330.819 3.104 20 30 EGEDLO CCn1ccc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)c1 ZINC000616785350 460618661 /nfs/dbraw/zinc/61/86/61/460618661.db2.gz OLHAEGLIZXGOCK-UHFFFAOYSA-N 1 2 330.819 3.104 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2F)c(C#N)c1C ZINC000026211273 453794782 /nfs/dbraw/zinc/79/47/82/453794782.db2.gz RZVUHYULSGNSIW-GFCCVEGCSA-N 1 2 329.375 3.366 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2F)c(C#N)c1C ZINC000026211273 453794784 /nfs/dbraw/zinc/79/47/84/453794784.db2.gz RZVUHYULSGNSIW-GFCCVEGCSA-N 1 2 329.375 3.366 20 30 EGEDLO COc1ccc(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)cc1Cl ZINC000026323234 453796261 /nfs/dbraw/zinc/79/62/61/453796261.db2.gz JFQVEHPMWBQBSE-UHFFFAOYSA-N 1 2 343.814 3.291 20 30 EGEDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)cc1Cl ZINC000026323234 453796263 /nfs/dbraw/zinc/79/62/63/453796263.db2.gz JFQVEHPMWBQBSE-UHFFFAOYSA-N 1 2 343.814 3.291 20 30 EGEDLO COc1ccc(Cl)cc1C[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000027735601 453820222 /nfs/dbraw/zinc/82/02/22/453820222.db2.gz YDTIUKPMRSIQQS-UHFFFAOYSA-N 1 2 349.862 3.123 20 30 EGEDLO COc1ccc(Cl)cc1C[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000027735601 453820223 /nfs/dbraw/zinc/82/02/23/453820223.db2.gz YDTIUKPMRSIQQS-UHFFFAOYSA-N 1 2 349.862 3.123 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC[C@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000028656452 453824220 /nfs/dbraw/zinc/82/42/20/453824220.db2.gz KTQMVXUGTVKERL-XJKSGUPXSA-N 1 2 327.819 3.196 20 30 EGEDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)sc1C ZINC000029927580 453832833 /nfs/dbraw/zinc/83/28/33/453832833.db2.gz OTYVPBKHXWXIMM-UHFFFAOYSA-N 1 2 339.464 3.195 20 30 EGEDLO Cc1ncsc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000066564397 453852056 /nfs/dbraw/zinc/85/20/56/453852056.db2.gz YBYQOJIQJSGIIK-NSHDSACASA-N 1 2 348.859 3.436 20 30 EGEDLO Cc1ncsc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000066564397 453852058 /nfs/dbraw/zinc/85/20/58/453852058.db2.gz YBYQOJIQJSGIIK-NSHDSACASA-N 1 2 348.859 3.436 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000181740667 455378516 /nfs/dbraw/zinc/37/85/16/455378516.db2.gz KBDMLADNYMLXTG-VXGBXAGGSA-N 1 2 325.815 3.138 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000054006392 453905075 /nfs/dbraw/zinc/90/50/75/453905075.db2.gz NGIILIOGUFDBNG-KRWDZBQOSA-N 1 2 349.369 3.342 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC3CCCCCC3)CC2)cc1 ZINC000054095481 453910374 /nfs/dbraw/zinc/91/03/74/453910374.db2.gz RUYXDKZZCCHFRC-UHFFFAOYSA-N 1 2 340.471 3.108 20 30 EGEDLO N#Cc1nc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)ccc1Cl ZINC000067349312 453923336 /nfs/dbraw/zinc/92/33/36/453923336.db2.gz AUWCDYWQGRZFOE-QGZVFWFLSA-N 1 2 342.830 3.092 20 30 EGEDLO C=CCCCN(C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000076950568 454052753 /nfs/dbraw/zinc/05/27/53/454052753.db2.gz SACYRCUXYRGUCQ-UHFFFAOYSA-N 1 2 326.444 3.082 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000043477857 454064057 /nfs/dbraw/zinc/06/40/57/454064057.db2.gz FFPFZDGPMAFBIJ-UHFFFAOYSA-N 1 2 326.425 3.294 20 30 EGEDLO C=C(Br)C[NH2+][C@@H](CCSC)c1nnc2ccccn21 ZINC000184600116 455411501 /nfs/dbraw/zinc/41/15/01/455411501.db2.gz DTYGEBORDFCIFM-NSHDSACASA-N 1 2 341.278 3.022 20 30 EGEDLO C[C@H]1CCN(C(=O)C[NH+]2CCC(C#N)CC2)c2ccccc2S1 ZINC000057907531 454156467 /nfs/dbraw/zinc/15/64/67/454156467.db2.gz ALBXDHQPDHNXJM-AWEZNQCLSA-N 1 2 329.469 3.139 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000119439257 454195607 /nfs/dbraw/zinc/19/56/07/454195607.db2.gz DFTCVEZDURPFNM-QGZVFWFLSA-N 1 2 347.503 3.143 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCOC2(C1)CCCCCC2 ZINC000119439257 454195609 /nfs/dbraw/zinc/19/56/09/454195609.db2.gz DFTCVEZDURPFNM-QGZVFWFLSA-N 1 2 347.503 3.143 20 30 EGEDLO Cc1ccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)o1 ZINC000119634120 454209691 /nfs/dbraw/zinc/20/96/91/454209691.db2.gz GTYNCZIWCSCITE-UHFFFAOYSA-N 1 2 338.367 3.030 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1 ZINC000058579132 454217432 /nfs/dbraw/zinc/21/74/32/454217432.db2.gz CVSNXOHTQFZNBI-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1 ZINC000058579132 454217436 /nfs/dbraw/zinc/21/74/36/454217436.db2.gz CVSNXOHTQFZNBI-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CC(=O)N(CCC#N)c1ccc(F)cc1 ZINC000078338997 454235545 /nfs/dbraw/zinc/23/55/45/454235545.db2.gz HPSSLZXGZKFTMR-UHFFFAOYSA-N 1 2 336.370 3.431 20 30 EGEDLO C#CCCCCC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000120349163 454289061 /nfs/dbraw/zinc/28/90/61/454289061.db2.gz BQSSYXMBYFJZBE-IEBWSBKVSA-N 1 2 348.874 3.022 20 30 EGEDLO C#CCCCCC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000120349163 454289067 /nfs/dbraw/zinc/28/90/67/454289067.db2.gz BQSSYXMBYFJZBE-IEBWSBKVSA-N 1 2 348.874 3.022 20 30 EGEDLO Fc1cccnc1N1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000090631589 454329613 /nfs/dbraw/zinc/32/96/13/454329613.db2.gz GBQKJYHUOQQPDI-UHFFFAOYSA-N 1 2 329.806 3.048 20 30 EGEDLO CC(C)CO[C@@H](C)C(N)=[NH+]O[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000072921326 454363500 /nfs/dbraw/zinc/36/35/00/454363500.db2.gz RILBCDQPLPTTGL-UONOGXRCSA-N 1 2 346.431 3.071 20 30 EGEDLO C=CCN(CCc1ccccc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000062487072 454377903 /nfs/dbraw/zinc/37/79/03/454377903.db2.gz FBCWHAVAWGVFMN-UHFFFAOYSA-N 1 2 338.455 3.324 20 30 EGEDLO C=CCn1c(=O)c2ccc(Cl)cc2nc1SCCn1cc[nH+]c1 ZINC000121812008 454479917 /nfs/dbraw/zinc/47/99/17/454479917.db2.gz IDYCRZITVXBEPT-UHFFFAOYSA-N 1 2 346.843 3.225 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(Br)o1 ZINC000073872338 454494925 /nfs/dbraw/zinc/49/49/25/454494925.db2.gz AOFWTKPHKHCIHC-GFCCVEGCSA-N 1 2 343.265 3.287 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Br)o1 ZINC000073872338 454494928 /nfs/dbraw/zinc/49/49/28/454494928.db2.gz AOFWTKPHKHCIHC-GFCCVEGCSA-N 1 2 343.265 3.287 20 30 EGEDLO Cc1ccc2[nH+]c(CSCC(=O)NCC#Cc3ccccc3)cn2c1 ZINC000048774908 454514872 /nfs/dbraw/zinc/51/48/72/454514872.db2.gz PUIUQIPDSAJXKK-UHFFFAOYSA-N 1 2 349.459 3.044 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccccc3OC)CC2)CCC1 ZINC000191161844 455455325 /nfs/dbraw/zinc/45/53/25/455455325.db2.gz DBADPASGWVCREA-UHFFFAOYSA-N 1 2 328.456 3.086 20 30 EGEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103471212 454559200 /nfs/dbraw/zinc/55/92/00/454559200.db2.gz NTBGZHYBORVLRX-UHFFFAOYSA-N 1 2 343.358 3.254 20 30 EGEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103471212 454559201 /nfs/dbraw/zinc/55/92/01/454559201.db2.gz NTBGZHYBORVLRX-UHFFFAOYSA-N 1 2 343.358 3.254 20 30 EGEDLO CCC(CC)CN(CCC#N)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000104545310 454589821 /nfs/dbraw/zinc/58/98/21/454589821.db2.gz YBQQCFBQEAUUEX-UHFFFAOYSA-N 1 2 325.416 3.059 20 30 EGEDLO COc1ccc(C[N@H+](C)Cc2nccn2Cc2ccccc2)cc1C#N ZINC000135104694 454634404 /nfs/dbraw/zinc/63/44/04/454634404.db2.gz PMAKBFBDWBPIRF-UHFFFAOYSA-N 1 2 346.434 3.444 20 30 EGEDLO COc1ccc(C[N@@H+](C)Cc2nccn2Cc2ccccc2)cc1C#N ZINC000135104694 454634411 /nfs/dbraw/zinc/63/44/11/454634411.db2.gz PMAKBFBDWBPIRF-UHFFFAOYSA-N 1 2 346.434 3.444 20 30 EGEDLO COc1ccc(CN(C)Cc2[nH+]ccn2Cc2ccccc2)cc1C#N ZINC000135104694 454634415 /nfs/dbraw/zinc/63/44/15/454634415.db2.gz PMAKBFBDWBPIRF-UHFFFAOYSA-N 1 2 346.434 3.444 20 30 EGEDLO C=C[C@@H](C)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000136786471 454756174 /nfs/dbraw/zinc/75/61/74/454756174.db2.gz KROHIULVXDEAMK-DOMZBBRYSA-N 1 2 337.261 3.277 20 30 EGEDLO N#Cc1ccc(CNc2cc(NCc3ccc(C#N)cc3)[nH+]cn2)cc1 ZINC000125598965 454834473 /nfs/dbraw/zinc/83/44/73/454834473.db2.gz TZLVRZSWXAQTCP-UHFFFAOYSA-N 1 2 340.390 3.444 20 30 EGEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)Cc2ccc(OCC#N)cc2)c1 ZINC000110231383 454843489 /nfs/dbraw/zinc/84/34/89/454843489.db2.gz PPRSIAAXSRKBEL-UHFFFAOYSA-N 1 2 346.390 3.171 20 30 EGEDLO Cc1[nH+]c2cc(NC(=O)c3c(F)cc(C#N)cc3F)ccc2n1C ZINC000153905516 454845756 /nfs/dbraw/zinc/84/57/56/454845756.db2.gz ROMYPJHCXWLOSH-UHFFFAOYSA-N 1 2 326.306 3.284 20 30 EGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCSC(C)(C)C1 ZINC000177512087 454871923 /nfs/dbraw/zinc/87/19/23/454871923.db2.gz DMXOGSOXWODWNK-NSHDSACASA-N 1 2 349.525 3.263 20 30 EGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCSC(C)(C)C1 ZINC000177512087 454871925 /nfs/dbraw/zinc/87/19/25/454871925.db2.gz DMXOGSOXWODWNK-NSHDSACASA-N 1 2 349.525 3.263 20 30 EGEDLO Cc1cccc2[nH+]c(CNC(=O)N[C@H](CCC#N)c3ccccc3)cn21 ZINC000178809403 454980573 /nfs/dbraw/zinc/98/05/73/454980573.db2.gz ZLVSAXFOFUOHIA-GOSISDBHSA-N 1 2 347.422 3.487 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ncccc1OCCCC#N ZINC000171057903 455023083 /nfs/dbraw/zinc/02/30/83/455023083.db2.gz ZYSMVDXZHNDABA-UHFFFAOYSA-N 1 2 349.394 3.061 20 30 EGEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000155640361 455026123 /nfs/dbraw/zinc/02/61/23/455026123.db2.gz NAELVGSRYZEVGL-CYBMUJFWSA-N 1 2 342.830 3.059 20 30 EGEDLO N#CCCn1cc(/C=C/C(=O)Nc2cc[nH+]cc2O)c2ccccc21 ZINC000155744850 455039431 /nfs/dbraw/zinc/03/94/31/455039431.db2.gz IHYWTOWKSMLNFZ-VOTSOKGWSA-N 1 2 332.363 3.307 20 30 EGEDLO C=CCOc1ccccc1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000171888814 455101029 /nfs/dbraw/zinc/10/10/29/455101029.db2.gz ZCXHFUYATXZJDM-UHFFFAOYSA-N 1 2 333.391 3.367 20 30 EGEDLO N#CCOc1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000264140221 455192915 /nfs/dbraw/zinc/19/29/15/455192915.db2.gz OESKFHCTSHNVQW-IBGZPJMESA-N 1 2 326.371 3.302 20 30 EGEDLO N#CCOc1ccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000264140221 455192918 /nfs/dbraw/zinc/19/29/18/455192918.db2.gz OESKFHCTSHNVQW-IBGZPJMESA-N 1 2 326.371 3.302 20 30 EGEDLO CCOC(=O)C[N@H+](Cc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000264172294 455193396 /nfs/dbraw/zinc/19/33/96/455193396.db2.gz VYWIAXSEICVKAV-UHFFFAOYSA-N 1 2 338.407 3.154 20 30 EGEDLO CCOC(=O)C[N@@H+](Cc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000264172294 455193400 /nfs/dbraw/zinc/19/34/00/455193400.db2.gz VYWIAXSEICVKAV-UHFFFAOYSA-N 1 2 338.407 3.154 20 30 EGEDLO CC[N@@H+](CC(=O)N(Cc1ccco1)Cc1ccccc1)C[C@@H](C)C#N ZINC000157643826 455216173 /nfs/dbraw/zinc/21/61/73/455216173.db2.gz OJDNNEXKEJCMGZ-KRWDZBQOSA-N 1 2 339.439 3.290 20 30 EGEDLO CC[N@H+](CC(=O)N(Cc1ccco1)Cc1ccccc1)C[C@@H](C)C#N ZINC000157643826 455216178 /nfs/dbraw/zinc/21/61/78/455216178.db2.gz OJDNNEXKEJCMGZ-KRWDZBQOSA-N 1 2 339.439 3.290 20 30 EGEDLO O=C(Nc1cccc(C#Cc2ccccc2)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000158265753 455285808 /nfs/dbraw/zinc/28/58/08/455285808.db2.gz RRUIEFOTPMPHFU-IBGZPJMESA-N 1 2 341.414 3.484 20 30 EGEDLO C[N@H+](CCC#N)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000181473008 455340270 /nfs/dbraw/zinc/34/02/70/455340270.db2.gz OMLSATVPYPOVAY-OAHLLOKOSA-N 1 2 339.361 3.042 20 30 EGEDLO C[N@@H+](CCC#N)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000181473008 455340272 /nfs/dbraw/zinc/34/02/72/455340272.db2.gz OMLSATVPYPOVAY-OAHLLOKOSA-N 1 2 339.361 3.042 20 30 EGEDLO COc1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000183948034 455343002 /nfs/dbraw/zinc/34/30/02/455343002.db2.gz XUTCOEJJXDABJW-MRXNPFEDSA-N 1 2 349.434 3.086 20 30 EGEDLO C=C(C)CN(C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000181591757 455360054 /nfs/dbraw/zinc/36/00/54/455360054.db2.gz VWOIURXTECMWRJ-IYBDPMFKSA-N 1 2 331.460 3.336 20 30 EGEDLO C=C(C)CN(C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000181591757 455360058 /nfs/dbraw/zinc/36/00/58/455360058.db2.gz VWOIURXTECMWRJ-IYBDPMFKSA-N 1 2 331.460 3.336 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174895360 455418117 /nfs/dbraw/zinc/41/81/17/455418117.db2.gz JTYUJWMMGPMVTE-QGZVFWFLSA-N 1 2 345.487 3.128 20 30 EGEDLO C=CC[N@@H+](CCOC)Cc1csc(-c2cccc(OC)c2OC)n1 ZINC000191086194 455439124 /nfs/dbraw/zinc/43/91/24/455439124.db2.gz FEDAJAQTQCXPCT-UHFFFAOYSA-N 1 2 348.468 3.462 20 30 EGEDLO C=CC[N@H+](CCOC)Cc1csc(-c2cccc(OC)c2OC)n1 ZINC000191086194 455439128 /nfs/dbraw/zinc/43/91/28/455439128.db2.gz FEDAJAQTQCXPCT-UHFFFAOYSA-N 1 2 348.468 3.462 20 30 EGEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000191146805 455452535 /nfs/dbraw/zinc/45/25/35/455452535.db2.gz IGOVJQLQPAMQHX-LLVKDONJSA-N 1 2 331.243 3.455 20 30 EGEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000191146805 455452540 /nfs/dbraw/zinc/45/25/40/455452540.db2.gz IGOVJQLQPAMQHX-LLVKDONJSA-N 1 2 331.243 3.455 20 30 EGEDLO COc1ccc(C[N@@H+]2CCN(CC(F)(F)F)CC2(C)C)cc1C#N ZINC000182232160 455468086 /nfs/dbraw/zinc/46/80/86/455468086.db2.gz SROXIJQSCLXTPJ-UHFFFAOYSA-N 1 2 341.377 3.025 20 30 EGEDLO COc1ccc(C[N@H+]2CCN(CC(F)(F)F)CC2(C)C)cc1C#N ZINC000182232160 455468091 /nfs/dbraw/zinc/46/80/91/455468091.db2.gz SROXIJQSCLXTPJ-UHFFFAOYSA-N 1 2 341.377 3.025 20 30 EGEDLO C#CCOc1ccccc1C[NH+]1CCN([C@H](C)c2nccs2)CC1 ZINC000185610468 455585215 /nfs/dbraw/zinc/58/52/15/455585215.db2.gz OYGIEDWCNCGBLK-MRXNPFEDSA-N 1 2 341.480 3.034 20 30 EGEDLO NC(=[NH+]OCCCCCF)c1ccc(OCc2cccnc2)cc1 ZINC000283834402 455601449 /nfs/dbraw/zinc/60/14/49/455601449.db2.gz BNBNUHGWJBNCOF-UHFFFAOYSA-N 1 2 331.391 3.437 20 30 EGEDLO CC[C@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@@H](C)O1 ZINC000247502967 455613556 /nfs/dbraw/zinc/61/35/56/455613556.db2.gz OCGWFSRCOPVRNZ-PBHICJAKSA-N 1 2 349.862 3.086 20 30 EGEDLO CC[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@@H](C)O1 ZINC000247502967 455613560 /nfs/dbraw/zinc/61/35/60/455613560.db2.gz OCGWFSRCOPVRNZ-PBHICJAKSA-N 1 2 349.862 3.086 20 30 EGEDLO CC#CCCCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000186109280 455695537 /nfs/dbraw/zinc/69/55/37/455695537.db2.gz MGOHWSBHJZMMDQ-HKUYNNGSSA-N 1 2 348.874 3.022 20 30 EGEDLO CC#CCCCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000186109280 455695540 /nfs/dbraw/zinc/69/55/40/455695540.db2.gz MGOHWSBHJZMMDQ-HKUYNNGSSA-N 1 2 348.874 3.022 20 30 EGEDLO COc1ccc2[nH+]c(C)cc(OCC(=O)Nc3cccc(C#N)c3)c2c1 ZINC000192976637 455730130 /nfs/dbraw/zinc/73/01/30/455730130.db2.gz FBRAMDOGMSFKMS-UHFFFAOYSA-N 1 2 347.374 3.441 20 30 EGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)CCc1c[nH+]cn1C ZINC000193197471 455746443 /nfs/dbraw/zinc/74/64/43/455746443.db2.gz SBVPZDOOWLQNHO-ZDUSSCGKSA-N 1 2 328.441 3.243 20 30 EGEDLO CCc1ncc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)s1 ZINC000269345897 455839898 /nfs/dbraw/zinc/83/98/98/455839898.db2.gz IBBMFTJBEDMTCS-KRWDZBQOSA-N 1 2 326.469 3.088 20 30 EGEDLO C=C(C)[C@@H](CC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1)OCC ZINC000270052774 455866557 /nfs/dbraw/zinc/86/65/57/455866557.db2.gz RPFSXNPQRBOBEM-GOSISDBHSA-N 1 2 345.487 3.305 20 30 EGEDLO Cc1ccc2[nH+]c(COc3ccccc3C(=O)N[C@H](C)CC#N)cn2c1 ZINC000194641836 455868165 /nfs/dbraw/zinc/86/81/65/455868165.db2.gz ZQEGKYIWZNWTQY-OAHLLOKOSA-N 1 2 348.406 3.254 20 30 EGEDLO CC(C)c1nnc([C@H]2C[N@@H+]([C@H](C)c3cccc(C#N)c3)CCO2)o1 ZINC000279926410 455878301 /nfs/dbraw/zinc/87/83/01/455878301.db2.gz FSDJFJTYOZDWTL-CZUORRHYSA-N 1 2 326.400 3.199 20 30 EGEDLO CC(C)c1nnc([C@H]2C[N@H+]([C@H](C)c3cccc(C#N)c3)CCO2)o1 ZINC000279926410 455878304 /nfs/dbraw/zinc/87/83/04/455878304.db2.gz FSDJFJTYOZDWTL-CZUORRHYSA-N 1 2 326.400 3.199 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000195051828 455917084 /nfs/dbraw/zinc/91/70/84/455917084.db2.gz QFCSBUXODHKJHW-QGZVFWFLSA-N 1 2 329.469 3.247 20 30 EGEDLO C=CC[C@@H](C(=O)N1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000187595457 455928617 /nfs/dbraw/zinc/92/86/17/455928617.db2.gz OWUJZJFGACUQII-HXUWFJFHSA-N 1 2 335.451 3.086 20 30 EGEDLO Cc1c[nH+]c(N2CCC(C)(C#N)CC2)nc1N1CCC(C)(C#N)CC1 ZINC000272470377 455962770 /nfs/dbraw/zinc/96/27/70/455962770.db2.gz MZJUXGWTNYXFPO-UHFFFAOYSA-N 1 2 338.459 3.045 20 30 EGEDLO C=CC[C@H](C(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccccc1 ZINC000188188314 456017080 /nfs/dbraw/zinc/01/70/80/456017080.db2.gz YOSGOHKDCYBMFW-AWEZNQCLSA-N 1 2 327.453 3.429 20 30 EGEDLO C=CC[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccccc1 ZINC000188188314 456017084 /nfs/dbraw/zinc/01/70/84/456017084.db2.gz YOSGOHKDCYBMFW-AWEZNQCLSA-N 1 2 327.453 3.429 20 30 EGEDLO C=CC[C@@H](CC)NC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000280929069 456085350 /nfs/dbraw/zinc/08/53/50/456085350.db2.gz FUJAHDKSKFDLKO-HZPDHXFCSA-N 1 2 330.407 3.303 20 30 EGEDLO CC(C)(C#N)c1ccc(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)cc1 ZINC000188578487 456088003 /nfs/dbraw/zinc/08/80/03/456088003.db2.gz REHUBEQKQLFIPV-GOSISDBHSA-N 1 2 341.455 3.070 20 30 EGEDLO CC(C)(C#N)c1ccc(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)cc1 ZINC000188578487 456088007 /nfs/dbraw/zinc/08/80/07/456088007.db2.gz REHUBEQKQLFIPV-GOSISDBHSA-N 1 2 341.455 3.070 20 30 EGEDLO C=CCSCCNC(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000297028747 456097522 /nfs/dbraw/zinc/09/75/22/456097522.db2.gz BNTCZHXZMAEBTJ-OAHLLOKOSA-N 1 2 330.457 3.060 20 30 EGEDLO C=CCC1(C(=O)NC[C@H](c2cccc(C)c2)[NH+]2CCOCC2)CCC1 ZINC000188643423 456102822 /nfs/dbraw/zinc/10/28/22/456102822.db2.gz MVLNJZJZLPXOBM-LJQANCHMSA-N 1 2 342.483 3.231 20 30 EGEDLO CCOc1c(Br)cc(C[N@H+](C)C[C@H](C)C#N)cc1OC ZINC000271128695 456134381 /nfs/dbraw/zinc/13/43/81/456134381.db2.gz MSZFIMACQVBPQL-LLVKDONJSA-N 1 2 341.249 3.448 20 30 EGEDLO CCOc1c(Br)cc(C[N@@H+](C)C[C@H](C)C#N)cc1OC ZINC000271128695 456134385 /nfs/dbraw/zinc/13/43/85/456134385.db2.gz MSZFIMACQVBPQL-LLVKDONJSA-N 1 2 341.249 3.448 20 30 EGEDLO CC1(C)C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H]1[C@@H]1CCCO1 ZINC000289701383 456137279 /nfs/dbraw/zinc/13/72/79/456137279.db2.gz IOJUVZSLYOLDHP-DOTOQJQBSA-N 1 2 347.846 3.040 20 30 EGEDLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H]1[C@@H]1CCCO1 ZINC000289701383 456137283 /nfs/dbraw/zinc/13/72/83/456137283.db2.gz IOJUVZSLYOLDHP-DOTOQJQBSA-N 1 2 347.846 3.040 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccc(C)cc3)s2)C1=O ZINC000281133612 456142502 /nfs/dbraw/zinc/14/25/02/456142502.db2.gz DEUPEBHXUKJUCE-QGZVFWFLSA-N 1 2 341.480 3.337 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccc(C)cc3)s2)C1=O ZINC000281133612 456142507 /nfs/dbraw/zinc/14/25/07/456142507.db2.gz DEUPEBHXUKJUCE-QGZVFWFLSA-N 1 2 341.480 3.337 20 30 EGEDLO CC(=O)c1ccc(C#N)c(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000273181606 456203710 /nfs/dbraw/zinc/20/37/10/456203710.db2.gz HGBOSROYEZNVCB-NRFANRHFSA-N 1 2 349.434 3.246 20 30 EGEDLO COc1cc(CNc2ccccc2C[NH+]2CCOCC2)ccc1C#N ZINC000281591142 456272144 /nfs/dbraw/zinc/27/21/44/456272144.db2.gz FAZKQVGTZPHDRX-UHFFFAOYSA-N 1 2 337.423 3.011 20 30 EGEDLO C[C@H]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000290243227 456273187 /nfs/dbraw/zinc/27/31/87/456273187.db2.gz STLAAKLCNGRQGP-LRDDRELGSA-N 1 2 327.363 3.009 20 30 EGEDLO Cn1ccnc1[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(F)cc1 ZINC000347672294 456295829 /nfs/dbraw/zinc/29/58/29/456295829.db2.gz ARXAUNKICLUIAV-MRXNPFEDSA-N 1 2 326.400 3.372 20 30 EGEDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(F)cc1 ZINC000347672281 456295861 /nfs/dbraw/zinc/29/58/61/456295861.db2.gz ARXAUNKICLUIAV-INIZCTEOSA-N 1 2 326.400 3.372 20 30 EGEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000297826320 456303373 /nfs/dbraw/zinc/30/33/73/456303373.db2.gz JQBBIAFKNCTAPE-INIZCTEOSA-N 1 2 327.428 3.004 20 30 EGEDLO C#CCOc1ccc(C(=O)N2CCCC[C@H]2c2[nH+]ccn2CC)cc1 ZINC000281765379 456314271 /nfs/dbraw/zinc/31/42/71/456314271.db2.gz KORIGDCNROWJEC-SFHVURJKSA-N 1 2 337.423 3.282 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000352796053 456317257 /nfs/dbraw/zinc/31/72/57/456317257.db2.gz FYIORMNNBWWBNT-SJORKVTESA-N 1 2 348.487 3.330 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000352796053 456317263 /nfs/dbraw/zinc/31/72/63/456317263.db2.gz FYIORMNNBWWBNT-SJORKVTESA-N 1 2 348.487 3.330 20 30 EGEDLO CN(CC#N)C(=O)c1ccccc1SCc1cn2ccccc2[nH+]1 ZINC000337532023 456361013 /nfs/dbraw/zinc/36/10/13/456361013.db2.gz FIRNCHRRNIFPBF-UHFFFAOYSA-N 1 2 336.420 3.222 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000352867437 456375785 /nfs/dbraw/zinc/37/57/85/456375785.db2.gz JRDFJOGJFQDRQV-INIZCTEOSA-N 1 2 342.439 3.486 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000352867437 456375788 /nfs/dbraw/zinc/37/57/88/456375788.db2.gz JRDFJOGJFQDRQV-INIZCTEOSA-N 1 2 342.439 3.486 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)c(C#N)c1C ZINC000276123944 456394087 /nfs/dbraw/zinc/39/40/87/456394087.db2.gz BZZXFSBKIRGGPT-LBPRGKRZSA-N 1 2 343.349 3.369 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)C2(C)C)c(C#N)c1C ZINC000276123944 456394094 /nfs/dbraw/zinc/39/40/94/456394094.db2.gz BZZXFSBKIRGGPT-LBPRGKRZSA-N 1 2 343.349 3.369 20 30 EGEDLO C=C[C@](C)(O)CC(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000290937722 456472977 /nfs/dbraw/zinc/47/29/77/456472977.db2.gz ZHRSVVBSALUDSV-SFHVURJKSA-N 1 2 345.468 3.041 20 30 EGEDLO C=C[C@](C)(O)CC(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000290937722 456472983 /nfs/dbraw/zinc/47/29/83/456472983.db2.gz ZHRSVVBSALUDSV-SFHVURJKSA-N 1 2 345.468 3.041 20 30 EGEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000348333200 456631625 /nfs/dbraw/zinc/63/16/25/456631625.db2.gz XVYSQSALURWVEL-GOSISDBHSA-N 1 2 326.831 3.117 20 30 EGEDLO C=CC[N@H+](Cc1nc(C)c(C)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000343566664 456710712 /nfs/dbraw/zinc/71/07/12/456710712.db2.gz ITGPKGFGTLERNX-CQSZACIVSA-N 1 2 338.415 3.016 20 30 EGEDLO C=CC[N@@H+](Cc1nc(C)c(C)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000343566664 456710718 /nfs/dbraw/zinc/71/07/18/456710718.db2.gz ITGPKGFGTLERNX-CQSZACIVSA-N 1 2 338.415 3.016 20 30 EGEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)c1 ZINC000328902781 456788260 /nfs/dbraw/zinc/78/82/60/456788260.db2.gz HAAUPMWMJBVDSX-CRAIPNDOSA-N 1 2 338.411 3.383 20 30 EGEDLO CCOc1cc2c(cc1NC(=O)[C@@H]1CCn3c[nH+]cc3C1)O[C@H](C)C2 ZINC000328937595 456794675 /nfs/dbraw/zinc/79/46/75/456794675.db2.gz RIHQPLWUKMXCBU-CHWSQXEVSA-N 1 2 341.411 3.456 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CCC1CCOCC1)C1CCOCC1 ZINC000328989821 456808550 /nfs/dbraw/zinc/80/85/50/456808550.db2.gz FFNGNSQAAGBWHJ-KRWDZBQOSA-N 1 2 335.448 3.051 20 30 EGEDLO Cc1noc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(C)cc3F)C2)n1 ZINC000329032022 456818821 /nfs/dbraw/zinc/81/88/21/456818821.db2.gz LPDKMCYTHCNALQ-WCQYABFASA-N 1 2 332.379 3.292 20 30 EGEDLO Cc1noc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(C)cc3F)C2)n1 ZINC000329032022 456818828 /nfs/dbraw/zinc/81/88/28/456818828.db2.gz LPDKMCYTHCNALQ-WCQYABFASA-N 1 2 332.379 3.292 20 30 EGEDLO Cc1cnc([C@H](C)[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)o1 ZINC000329149478 456843954 /nfs/dbraw/zinc/84/39/54/456843954.db2.gz QRABNWSLKLDJHI-WFASDCNBSA-N 1 2 332.379 3.284 20 30 EGEDLO Cc1cnc([C@H](C)[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)o1 ZINC000329149478 456843959 /nfs/dbraw/zinc/84/39/59/456843959.db2.gz QRABNWSLKLDJHI-WFASDCNBSA-N 1 2 332.379 3.284 20 30 EGEDLO CCO[C@@H]1C[C@H](NC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)C12CCCCC2 ZINC000329179637 456849562 /nfs/dbraw/zinc/84/95/62/456849562.db2.gz DBTLCULKIBNNQB-GVDBMIGSSA-N 1 2 348.491 3.107 20 30 EGEDLO O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000329182742 456850369 /nfs/dbraw/zinc/85/03/69/456850369.db2.gz PCGNGSXHZJKZTD-JFIYKMOQSA-N 1 2 325.412 3.180 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)NC1CCC2(CC2)CC1)C1CCOCC1 ZINC000329195707 456852641 /nfs/dbraw/zinc/85/26/41/456852641.db2.gz SNFITDPEZCXLQR-MRXNPFEDSA-N 1 2 346.475 3.114 20 30 EGEDLO Cc1ccsc1CC[NH+]=C([O-])N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000329288530 456867100 /nfs/dbraw/zinc/86/71/00/456867100.db2.gz MREXXZHNLMYIRQ-UHFFFAOYSA-N 1 2 346.500 3.428 20 30 EGEDLO Cc1ccsc1CCNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000329288530 456867101 /nfs/dbraw/zinc/86/71/01/456867101.db2.gz MREXXZHNLMYIRQ-UHFFFAOYSA-N 1 2 346.500 3.428 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CC12CCCCC2)C1CCOCC1 ZINC000329307346 456869420 /nfs/dbraw/zinc/86/94/20/456869420.db2.gz YHJFOHSGGVAXLI-JKSUJKDBSA-N 1 2 346.475 3.114 20 30 EGEDLO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CCCc2occc2C1 ZINC000329679663 456925880 /nfs/dbraw/zinc/92/58/80/456925880.db2.gz XNCMEYZYWNJHTQ-UKRRQHHQSA-N 1 2 333.432 3.477 20 30 EGEDLO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CCCc2occc2C1 ZINC000329679663 456925885 /nfs/dbraw/zinc/92/58/85/456925885.db2.gz XNCMEYZYWNJHTQ-UKRRQHHQSA-N 1 2 333.432 3.477 20 30 EGEDLO C[N@@H+]1CCO[C@H]([C@@H](Nc2cccc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000345167271 456950609 /nfs/dbraw/zinc/95/06/09/456950609.db2.gz YDLVUUKQZLBJOV-WMZOPIPTSA-N 1 2 342.830 3.090 20 30 EGEDLO C[N@H+]1CCO[C@H]([C@@H](Nc2cccc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000345167271 456950611 /nfs/dbraw/zinc/95/06/11/456950611.db2.gz YDLVUUKQZLBJOV-WMZOPIPTSA-N 1 2 342.830 3.090 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])N1CCC3(CCC3)C1)C2 ZINC000329863007 456952983 /nfs/dbraw/zinc/95/29/83/456952983.db2.gz RMNCETVWSDGTQK-CQSZACIVSA-N 1 2 330.476 3.285 20 30 EGEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1coc(C2CCCC2)n1 ZINC000329923176 456961192 /nfs/dbraw/zinc/96/11/92/456961192.db2.gz GVQZZGRIPGDOCU-UHFFFAOYSA-N 1 2 328.416 3.412 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCCC3(CC3)C1)C2 ZINC000329933967 456963372 /nfs/dbraw/zinc/96/33/72/456963372.db2.gz QHPREZRWRNMEBR-AWEZNQCLSA-N 1 2 330.476 3.285 20 30 EGEDLO Cc1ccc([C@H](NC(=O)C[N@@H+]2CCCNC(=O)[C@@H]2C)C2CC2)cc1 ZINC000329960500 456967788 /nfs/dbraw/zinc/96/77/88/456967788.db2.gz RPQHYHOWOTWSFW-KSSFIOAISA-N 1 2 329.444 3.453 20 30 EGEDLO Cc1ccc([C@H](NC(=O)C[N@H+]2CCCNC(=O)[C@@H]2C)C2CC2)cc1 ZINC000329960500 456967794 /nfs/dbraw/zinc/96/77/94/456967794.db2.gz RPQHYHOWOTWSFW-KSSFIOAISA-N 1 2 329.444 3.453 20 30 EGEDLO COc1cccc([C@H](C)NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000329975651 456969076 /nfs/dbraw/zinc/96/90/76/456969076.db2.gz ZUWRLPNAZMFRCM-RLFYNMQTSA-N 1 2 342.443 3.450 20 30 EGEDLO Cc1nc(CC2CC2)oc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000330033194 456977124 /nfs/dbraw/zinc/97/71/24/456977124.db2.gz VJDMAAZXPYQUNW-UHFFFAOYSA-N 1 2 328.416 3.016 20 30 EGEDLO O=C(C[N@@H+]1CCOC2(CCCC2)C1)N[C@@H]1CCOc2ccccc21 ZINC000330135370 456990322 /nfs/dbraw/zinc/99/03/22/456990322.db2.gz SNUUCDLWBKVZRB-MRXNPFEDSA-N 1 2 330.428 3.112 20 30 EGEDLO O=C(C[N@H+]1CCOC2(CCCC2)C1)N[C@@H]1CCOc2ccccc21 ZINC000330135370 456990325 /nfs/dbraw/zinc/99/03/25/456990325.db2.gz SNUUCDLWBKVZRB-MRXNPFEDSA-N 1 2 330.428 3.112 20 30 EGEDLO Cc1c[nH]c(-c2ccccc2NC(=O)[C@@H]2OC[C@H]3COCC[C@H]32)[nH+]1 ZINC000330177416 456996306 /nfs/dbraw/zinc/99/63/06/456996306.db2.gz KQYYNVBDZUANGQ-XJKCOSOUSA-N 1 2 327.384 3.025 20 30 EGEDLO CCc1ccc([C@@H](C#N)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000345812319 456998901 /nfs/dbraw/zinc/99/89/01/456998901.db2.gz UOUPTMREQRHBEX-LJQANCHMSA-N 1 2 330.391 3.429 20 30 EGEDLO CN(CC12CC3CC(CC(C3)C1)C2)C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330199718 457000538 /nfs/dbraw/zinc/00/05/38/457000538.db2.gz VUFPXXDLMOTTRF-VQBCORBOSA-N 1 2 342.487 3.260 20 30 EGEDLO C=C[C@@](C)(CCOC)c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000345980861 457009973 /nfs/dbraw/zinc/00/99/73/457009973.db2.gz GQPYUBMQZMDVOJ-IBGZPJMESA-N 1 2 338.411 3.462 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2coc(-c3ccc(OC)cc3)n2)CC1 ZINC000341988260 457044254 /nfs/dbraw/zinc/04/42/54/457044254.db2.gz IERBBBQYJNJXMQ-UHFFFAOYSA-N 1 2 341.411 3.102 20 30 EGEDLO N#CC1(F)CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000359360243 457077059 /nfs/dbraw/zinc/07/70/59/457077059.db2.gz LSYCRHOSQWAYIK-UHFFFAOYSA-N 1 2 325.343 3.342 20 30 EGEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)c2ccc(C#N)o2)CC1 ZINC000354137538 457089513 /nfs/dbraw/zinc/08/95/13/457089513.db2.gz GLEBVLPJQCSDOJ-UHFFFAOYSA-N 1 2 343.814 3.071 20 30 EGEDLO Cc1ccc(C(=O)N2CCSC[C@H]2C#N)cc1Oc1cc[nH+]cc1 ZINC000342102810 457109751 /nfs/dbraw/zinc/10/97/51/457109751.db2.gz HPQUKYVLHZQIBT-OAHLLOKOSA-N 1 2 339.420 3.264 20 30 EGEDLO N#Cc1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)cc1 ZINC000349946098 457117894 /nfs/dbraw/zinc/11/78/94/457117894.db2.gz RDIOTNNOGUIPKC-NRFANRHFSA-N 1 2 345.446 3.108 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)cc1 ZINC000349946098 457117897 /nfs/dbraw/zinc/11/78/97/457117897.db2.gz RDIOTNNOGUIPKC-NRFANRHFSA-N 1 2 345.446 3.108 20 30 EGEDLO C=CC[N@H+](Cc1cccs1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000342135453 457128187 /nfs/dbraw/zinc/12/81/87/457128187.db2.gz LMTFIQSVKOMUIC-GOSISDBHSA-N 1 2 337.448 3.413 20 30 EGEDLO C=CC[N@@H+](Cc1cccs1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000342135453 457128191 /nfs/dbraw/zinc/12/81/91/457128191.db2.gz LMTFIQSVKOMUIC-GOSISDBHSA-N 1 2 337.448 3.413 20 30 EGEDLO CCOc1cc(C[NH+]2CCC(C#N)CC2)cc(Br)c1O ZINC000331129746 457136476 /nfs/dbraw/zinc/13/64/76/457136476.db2.gz OSRCLSGILNATQT-UHFFFAOYSA-N 1 2 339.233 3.289 20 30 EGEDLO CCc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)c(C)c3)CC2)cc1 ZINC000362915323 457154417 /nfs/dbraw/zinc/15/44/17/457154417.db2.gz AACUAQCIAPZHSF-UHFFFAOYSA-N 1 2 347.462 3.387 20 30 EGEDLO CC(C)(CCC#N)CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000350196180 457170185 /nfs/dbraw/zinc/17/01/85/457170185.db2.gz ZTKQAIBXRMIECB-UHFFFAOYSA-N 1 2 343.475 3.201 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1)OCC ZINC000339607859 457170333 /nfs/dbraw/zinc/17/03/33/457170333.db2.gz MCZZSVNPIZSZHY-QFBILLFUSA-N 1 2 348.462 3.402 20 30 EGEDLO CSc1ccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)cc1 ZINC000342228412 457180524 /nfs/dbraw/zinc/18/05/24/457180524.db2.gz SLZGDZZUGFXKHU-UHFFFAOYSA-N 1 2 344.509 3.367 20 30 EGEDLO C=CCC[C@H](O)C[N@@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000342300011 457222307 /nfs/dbraw/zinc/22/23/07/457222307.db2.gz LWMDCJJGHKWFHB-ZDUSSCGKSA-N 1 2 328.225 3.273 20 30 EGEDLO C=CCC[C@H](O)C[N@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000342300011 457222311 /nfs/dbraw/zinc/22/23/11/457222311.db2.gz LWMDCJJGHKWFHB-ZDUSSCGKSA-N 1 2 328.225 3.273 20 30 EGEDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000357082794 457312476 /nfs/dbraw/zinc/31/24/76/457312476.db2.gz JNNLZVPSLHLOJB-HOCLYGCPSA-N 1 2 349.862 3.086 20 30 EGEDLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000357082794 457312480 /nfs/dbraw/zinc/31/24/80/457312480.db2.gz JNNLZVPSLHLOJB-HOCLYGCPSA-N 1 2 349.862 3.086 20 30 EGEDLO C[N@@H+]1CC[C@@H](Nc2nccc(C#N)c2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000342509099 457341542 /nfs/dbraw/zinc/34/15/42/457341542.db2.gz UUEVSLGRDMISIV-ZBFHGGJFSA-N 1 2 348.784 3.164 20 30 EGEDLO C[N@H+]1CC[C@@H](Nc2nccc(C#N)c2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000342509099 457341549 /nfs/dbraw/zinc/34/15/49/457341549.db2.gz UUEVSLGRDMISIV-ZBFHGGJFSA-N 1 2 348.784 3.164 20 30 EGEDLO CN(C(=O)C[N@@H+]1CCc2c(Cl)cccc2C1)C1(C#N)CCCCC1 ZINC000352214926 457348314 /nfs/dbraw/zinc/34/83/14/457348314.db2.gz XIGLJXVZUAVKGK-UHFFFAOYSA-N 1 2 345.874 3.383 20 30 EGEDLO CN(C(=O)C[N@H+]1CCc2c(Cl)cccc2C1)C1(C#N)CCCCC1 ZINC000352214926 457348321 /nfs/dbraw/zinc/34/83/21/457348321.db2.gz XIGLJXVZUAVKGK-UHFFFAOYSA-N 1 2 345.874 3.383 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H](C#N)c1ccc(F)cc1 ZINC000355469338 457377653 /nfs/dbraw/zinc/37/76/53/457377653.db2.gz IQMUUMPGVZCKID-KRWDZBQOSA-N 1 2 336.370 3.255 20 30 EGEDLO N#CC[C@H](CC(=O)NCCCCNc1cccc[nH+]1)c1ccccc1 ZINC000355652147 457397225 /nfs/dbraw/zinc/39/72/25/457397225.db2.gz DCRQTVLQOSHGAK-GOSISDBHSA-N 1 2 336.439 3.477 20 30 EGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000355701272 457404144 /nfs/dbraw/zinc/40/41/44/457404144.db2.gz HPEMHXGLKOUBID-QWHCGFSZSA-N 1 2 342.892 3.073 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000355701272 457404146 /nfs/dbraw/zinc/40/41/46/457404146.db2.gz HPEMHXGLKOUBID-QWHCGFSZSA-N 1 2 342.892 3.073 20 30 EGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1ccoc1 ZINC000342627229 457414177 /nfs/dbraw/zinc/41/41/77/457414177.db2.gz BXBGSGONCPHGGK-CQSZACIVSA-N 1 2 329.375 3.186 20 30 EGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1ccoc1 ZINC000342627229 457414184 /nfs/dbraw/zinc/41/41/84/457414184.db2.gz BXBGSGONCPHGGK-CQSZACIVSA-N 1 2 329.375 3.186 20 30 EGEDLO C[C@H](c1nc(Cc2cn3ccccc3[nH+]2)no1)c1cccc(C#N)c1 ZINC000361017885 457514353 /nfs/dbraw/zinc/51/43/53/457514353.db2.gz POGZYACLEMENQG-ZDUSSCGKSA-N 1 2 329.363 3.332 20 30 EGEDLO Cc1nc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)cs1 ZINC000352695296 457538187 /nfs/dbraw/zinc/53/81/87/457538187.db2.gz WFDOZZAQBOZZNE-UHFFFAOYSA-N 1 2 337.452 3.356 20 30 EGEDLO Cc1nc(C[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)cs1 ZINC000352695296 457538191 /nfs/dbraw/zinc/53/81/91/457538191.db2.gz WFDOZZAQBOZZNE-UHFFFAOYSA-N 1 2 337.452 3.356 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2cccc(OC)c2OC(F)F)CC1 ZINC000342845866 457555712 /nfs/dbraw/zinc/55/57/12/457555712.db2.gz YSDCVOIAJQSRNJ-UHFFFAOYSA-N 1 2 340.370 3.049 20 30 EGEDLO C=CCOC[C@H]([NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)C(=O)OC ZINC000361109951 457586785 /nfs/dbraw/zinc/58/67/85/457586785.db2.gz OKLKOIGIHSZKMJ-MSOLQXFVSA-N 1 2 333.403 3.095 20 30 EGEDLO COc1cccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1F ZINC000374348051 457593877 /nfs/dbraw/zinc/59/38/77/457593877.db2.gz WQPAQCKHEQFEQV-SFHVURJKSA-N 1 2 326.371 3.279 20 30 EGEDLO COc1cccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1F ZINC000374348051 457593885 /nfs/dbraw/zinc/59/38/85/457593885.db2.gz WQPAQCKHEQFEQV-SFHVURJKSA-N 1 2 326.371 3.279 20 30 EGEDLO C[C@@H]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000356435951 457623587 /nfs/dbraw/zinc/62/35/87/457623587.db2.gz YLXURCIZBKUXOS-BHIYHBOVSA-N 1 2 336.439 3.380 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)cc1F ZINC000364720115 457679701 /nfs/dbraw/zinc/67/97/01/457679701.db2.gz WOWAXYCWQLZHDB-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)cc1F ZINC000364720115 457679706 /nfs/dbraw/zinc/67/97/06/457679706.db2.gz WOWAXYCWQLZHDB-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO C=CCN(C(=O)Nc1ccccc1OCCn1cc[nH+]c1)C1CC1 ZINC000357866154 457716842 /nfs/dbraw/zinc/71/68/42/457716842.db2.gz KNUVQADXGPWYGT-UHFFFAOYSA-N 1 2 326.400 3.144 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443661471 457801095 /nfs/dbraw/zinc/80/10/95/457801095.db2.gz UEAGZTHXTNGMJK-OAHLLOKOSA-N 1 2 336.863 3.218 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443661471 457801100 /nfs/dbraw/zinc/80/11/00/457801100.db2.gz UEAGZTHXTNGMJK-OAHLLOKOSA-N 1 2 336.863 3.218 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+](C)CC(C)(C)C#N ZINC000433297945 457801465 /nfs/dbraw/zinc/80/14/65/457801465.db2.gz XXVOLTZUJMKFSA-LLVKDONJSA-N 1 2 338.249 3.258 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+](C)CC(C)(C)C#N ZINC000433297945 457801471 /nfs/dbraw/zinc/80/14/71/457801471.db2.gz XXVOLTZUJMKFSA-LLVKDONJSA-N 1 2 338.249 3.258 20 30 EGEDLO N#CCCN(Cc1ccco1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000433345794 457816538 /nfs/dbraw/zinc/81/65/38/457816538.db2.gz ZUZAJGKLEBBQAE-UHFFFAOYSA-N 1 2 348.406 3.009 20 30 EGEDLO C=CC[N@H+](Cc1ccccc1F)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000411190768 457824960 /nfs/dbraw/zinc/82/49/60/457824960.db2.gz VCZWLUNRCKEAPT-BEFAXECRSA-N 1 2 331.435 3.257 20 30 EGEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000411190768 457824966 /nfs/dbraw/zinc/82/49/66/457824966.db2.gz VCZWLUNRCKEAPT-BEFAXECRSA-N 1 2 331.435 3.257 20 30 EGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000426461244 457835403 /nfs/dbraw/zinc/83/54/03/457835403.db2.gz PIBXYBAQZNCDFN-ATZDWAIDSA-N 1 2 346.446 3.012 20 30 EGEDLO C=CCC(C)(C)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000427654810 458016523 /nfs/dbraw/zinc/01/65/23/458016523.db2.gz PJEJRHJPGHMBMY-UHFFFAOYSA-N 1 2 327.428 3.423 20 30 EGEDLO N#CCc1ccc(C[S@](=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000445540134 458060850 /nfs/dbraw/zinc/06/08/50/458060850.db2.gz NWHULLURLAZJJC-VWLOTQADSA-N 1 2 349.459 3.446 20 30 EGEDLO C=CCC[C@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000435103611 458094553 /nfs/dbraw/zinc/09/45/53/458094553.db2.gz NHTOANVTXUOPRL-SFHVURJKSA-N 1 2 345.487 3.104 20 30 EGEDLO C=CCC[C@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000435103611 458094559 /nfs/dbraw/zinc/09/45/59/458094559.db2.gz NHTOANVTXUOPRL-SFHVURJKSA-N 1 2 345.487 3.104 20 30 EGEDLO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000435907312 458221685 /nfs/dbraw/zinc/22/16/85/458221685.db2.gz KAEOWIJFLJVXKY-JKSUJKDBSA-N 1 2 325.330 3.190 20 30 EGEDLO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000435907312 458221689 /nfs/dbraw/zinc/22/16/89/458221689.db2.gz KAEOWIJFLJVXKY-JKSUJKDBSA-N 1 2 325.330 3.190 20 30 EGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000413583599 458304307 /nfs/dbraw/zinc/30/43/07/458304307.db2.gz BCNYILBAINUZHZ-WBVHZDCISA-N 1 2 326.444 3.451 20 30 EGEDLO COc1nc(C)cc(C)c1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000376515143 458325235 /nfs/dbraw/zinc/32/52/35/458325235.db2.gz NVGQOGLDKDMEGA-IBGZPJMESA-N 1 2 337.423 3.152 20 30 EGEDLO COc1nc(C)cc(C)c1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000376515143 458325240 /nfs/dbraw/zinc/32/52/40/458325240.db2.gz NVGQOGLDKDMEGA-IBGZPJMESA-N 1 2 337.423 3.152 20 30 EGEDLO CCOc1cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)ccc1O ZINC000459362264 458343672 /nfs/dbraw/zinc/34/36/72/458343672.db2.gz PTGZOOBILYGZLI-FQEVSTJZSA-N 1 2 338.407 3.236 20 30 EGEDLO CCOc1cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)ccc1O ZINC000459362264 458343677 /nfs/dbraw/zinc/34/36/77/458343677.db2.gz PTGZOOBILYGZLI-FQEVSTJZSA-N 1 2 338.407 3.236 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000419638699 458390453 /nfs/dbraw/zinc/39/04/53/458390453.db2.gz KZNXPDHXRDGLMN-IBGZPJMESA-N 1 2 349.438 3.179 20 30 EGEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@@]2(C#N)C[C@H]2C)CC1 ZINC000448647900 458403919 /nfs/dbraw/zinc/40/39/19/458403919.db2.gz ADIHLYKKLQBZOK-HBUWYVDXSA-N 1 2 331.847 3.095 20 30 EGEDLO Cc1cc(CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)cc(C)[nH+]1 ZINC000421103596 458407185 /nfs/dbraw/zinc/40/71/85/458407185.db2.gz WLYHYTCPCQFVCS-UHFFFAOYSA-N 1 2 325.416 3.448 20 30 EGEDLO Cc1[nH]c(C#N)cc1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000448770441 458410276 /nfs/dbraw/zinc/41/02/76/458410276.db2.gz LUCOMKVZKXDBBP-LLVKDONJSA-N 1 2 343.456 3.136 20 30 EGEDLO Cc1[nH]c(C#N)cc1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000448770441 458410280 /nfs/dbraw/zinc/41/02/80/458410280.db2.gz LUCOMKVZKXDBBP-LLVKDONJSA-N 1 2 343.456 3.136 20 30 EGEDLO CC(C)CC[N@H+](CCC#N)C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449021904 458419419 /nfs/dbraw/zinc/41/94/19/458419419.db2.gz FPHWQTSCBLUARW-INIZCTEOSA-N 1 2 336.501 3.455 20 30 EGEDLO CC(C)CC[N@@H+](CCC#N)C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449021904 458419423 /nfs/dbraw/zinc/41/94/23/458419423.db2.gz FPHWQTSCBLUARW-INIZCTEOSA-N 1 2 336.501 3.455 20 30 EGEDLO C=CCN1C(=O)N(Cc2cc(C)[nH+]c(C)c2)C(=O)[C@H]1Cc1ccccc1 ZINC000421812631 458422587 /nfs/dbraw/zinc/42/25/87/458422587.db2.gz CWGWRAKBQXPOSS-LJQANCHMSA-N 1 2 349.434 3.260 20 30 EGEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000437620526 458475910 /nfs/dbraw/zinc/47/59/10/458475910.db2.gz AYHDQSQKXSNRBU-IEBWSBKVSA-N 1 2 345.487 3.183 20 30 EGEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000437620526 458475916 /nfs/dbraw/zinc/47/59/16/458475916.db2.gz AYHDQSQKXSNRBU-IEBWSBKVSA-N 1 2 345.487 3.183 20 30 EGEDLO COCCN(C)c1ccc(/C=C2/COc3c(C)cccc3C2=O)c[nH+]1 ZINC000377205694 458488737 /nfs/dbraw/zinc/48/87/37/458488737.db2.gz CHKKLINMZFVSSU-WJDWOHSUSA-N 1 2 338.407 3.131 20 30 EGEDLO C=CCCc1noc([C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)n1 ZINC000453234429 458522822 /nfs/dbraw/zinc/52/28/22/458522822.db2.gz KZZFGZCQSNBQEL-CQSZACIVSA-N 1 2 330.407 3.211 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)c2[nH+]ccn21 ZINC000454312063 458557512 /nfs/dbraw/zinc/55/75/12/458557512.db2.gz CLLYTAOEPZVIFD-WCQYABFASA-N 1 2 326.404 3.139 20 30 EGEDLO C=CC(C)(C)CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000454728883 458573261 /nfs/dbraw/zinc/57/32/61/458573261.db2.gz CYMJVUVXOCISME-HNNXBMFYSA-N 1 2 331.460 3.414 20 30 EGEDLO C=C(C)COc1cc(C[N@@H+]2CCNC(=O)[C@]2(C)CCC)ccc1OC ZINC000438479188 458583524 /nfs/dbraw/zinc/58/35/24/458583524.db2.gz YPDMTTPRJMLFIJ-FQEVSTJZSA-N 1 2 346.471 3.141 20 30 EGEDLO C=C(C)COc1cc(C[N@H+]2CCNC(=O)[C@]2(C)CCC)ccc1OC ZINC000438479188 458583526 /nfs/dbraw/zinc/58/35/26/458583526.db2.gz YPDMTTPRJMLFIJ-FQEVSTJZSA-N 1 2 346.471 3.141 20 30 EGEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2F)nn1 ZINC000424293373 458606697 /nfs/dbraw/zinc/60/66/97/458606697.db2.gz INJKECNSRDJXEZ-JTQLQIEISA-N 1 2 339.212 3.217 20 30 EGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C(F)F ZINC000502787141 458669349 /nfs/dbraw/zinc/66/93/49/458669349.db2.gz ARLKPFNOKVQGAB-JKSUJKDBSA-N 1 2 325.399 3.274 20 30 EGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@@H]1C(F)F ZINC000502787141 458669355 /nfs/dbraw/zinc/66/93/55/458669355.db2.gz ARLKPFNOKVQGAB-JKSUJKDBSA-N 1 2 325.399 3.274 20 30 EGEDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000439448018 458702606 /nfs/dbraw/zinc/70/26/06/458702606.db2.gz GSUVZSPOCDJRNX-UHFFFAOYSA-N 1 2 331.847 3.044 20 30 EGEDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000439448018 458702611 /nfs/dbraw/zinc/70/26/11/458702611.db2.gz GSUVZSPOCDJRNX-UHFFFAOYSA-N 1 2 331.847 3.044 20 30 EGEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000505147781 458741651 /nfs/dbraw/zinc/74/16/51/458741651.db2.gz CZCGYVKRLKDYHX-FQEVSTJZSA-N 1 2 327.472 3.394 20 30 EGEDLO C[C@@H](C#N)C[N@H+](C)CCC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000505778687 458747668 /nfs/dbraw/zinc/74/76/68/458747668.db2.gz WQSLYOXHMDEABE-INIZCTEOSA-N 1 2 349.434 3.338 20 30 EGEDLO C[C@@H](C#N)C[N@@H+](C)CCC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000505778687 458747676 /nfs/dbraw/zinc/74/76/76/458747676.db2.gz WQSLYOXHMDEABE-INIZCTEOSA-N 1 2 349.434 3.338 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000439966660 458771217 /nfs/dbraw/zinc/77/12/17/458771217.db2.gz KUTHJZLWRDAENE-UONOGXRCSA-N 1 2 340.452 3.478 20 30 EGEDLO CCN1CCN(c2ccc(C#N)cc2C(F)(F)F)C[C@H]1c1[nH]cc[nH+]1 ZINC000530480306 458776192 /nfs/dbraw/zinc/77/61/92/458776192.db2.gz WSFJHMGSOGKDQP-HNNXBMFYSA-N 1 2 349.360 3.183 20 30 EGEDLO C=CCN1CC[C@H](N(C)c2cc(C(C)(C)C)[nH+]c(C(C)(C)C)n2)C1=O ZINC000513046662 458790510 /nfs/dbraw/zinc/79/05/10/458790510.db2.gz MVEUSTXHDYINIL-AWEZNQCLSA-N 1 2 344.503 3.295 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+]2CCC=C(c3ccccn3)C2)c1C#N ZINC000515178598 458806932 /nfs/dbraw/zinc/80/69/32/458806932.db2.gz VQBUFZPBRCAJOR-UHFFFAOYSA-N 1 2 333.391 3.029 20 30 EGEDLO COC(=O)c1cccc(C[N@H+]2CCC=C(c3ccccn3)C2)c1C#N ZINC000515178598 458806935 /nfs/dbraw/zinc/80/69/35/458806935.db2.gz VQBUFZPBRCAJOR-UHFFFAOYSA-N 1 2 333.391 3.029 20 30 EGEDLO C=CCCCCNC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000472853886 458811375 /nfs/dbraw/zinc/81/13/75/458811375.db2.gz SKGPICVORPTDSN-UHFFFAOYSA-N 1 2 345.491 3.096 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000440718698 458845615 /nfs/dbraw/zinc/84/56/15/458845615.db2.gz SHABTNLLJJCDPD-ZIAGYGMSSA-N 1 2 340.452 3.336 20 30 EGEDLO C=CC[C@@H](CC)NC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000466328725 458893397 /nfs/dbraw/zinc/89/33/97/458893397.db2.gz VUNNAPIWIYXHSK-GOSISDBHSA-N 1 2 345.487 3.267 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)c2[nH+]ccn21 ZINC000577342734 459018192 /nfs/dbraw/zinc/01/81/92/459018192.db2.gz CILIHIWGXXHOGB-SKDRFNHKSA-N 1 2 347.325 3.184 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)c2[nH+]ccn21 ZINC000577342730 459018317 /nfs/dbraw/zinc/01/83/17/459018317.db2.gz CILIHIWGXXHOGB-CABZTGNLSA-N 1 2 347.325 3.184 20 30 EGEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000533004281 459173088 /nfs/dbraw/zinc/17/30/88/459173088.db2.gz QTDLBRJUKSBYMF-QGZVFWFLSA-N 1 2 332.875 3.318 20 30 EGEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000533004281 459173094 /nfs/dbraw/zinc/17/30/94/459173094.db2.gz QTDLBRJUKSBYMF-QGZVFWFLSA-N 1 2 332.875 3.318 20 30 EGEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2ccc(C#N)c(Cl)c2)CC1(C)C ZINC000578413377 459196932 /nfs/dbraw/zinc/19/69/32/459196932.db2.gz AMRDUMPWDGKRHE-CQSZACIVSA-N 1 2 328.803 3.168 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+](C)Cc2ccc(C)cn2)c(C#N)c1C ZINC000590754422 459205336 /nfs/dbraw/zinc/20/53/36/459205336.db2.gz GUYOCVUENXZTPO-UHFFFAOYSA-N 1 2 328.441 3.011 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+](C)Cc2ccc(C)cn2)c(C#N)c1C ZINC000590754422 459205342 /nfs/dbraw/zinc/20/53/42/459205342.db2.gz GUYOCVUENXZTPO-UHFFFAOYSA-N 1 2 328.441 3.011 20 30 EGEDLO C[C@@H]1c2c(F)cccc2CC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000524252267 459353215 /nfs/dbraw/zinc/35/32/15/459353215.db2.gz ITTWVALNVCUFNP-CQSZACIVSA-N 1 2 329.419 3.087 20 30 EGEDLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000524252267 459353223 /nfs/dbraw/zinc/35/32/23/459353223.db2.gz ITTWVALNVCUFNP-CQSZACIVSA-N 1 2 329.419 3.087 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)OCC ZINC000535156246 459354972 /nfs/dbraw/zinc/35/49/72/459354972.db2.gz NNQMEVTZFUHRBM-NHHWLVAYSA-N 1 2 342.483 3.215 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cccc(C(=O)OC)n1 ZINC000560496849 459360070 /nfs/dbraw/zinc/36/00/70/459360070.db2.gz OOUKZKMCIVPGOH-UHFFFAOYSA-N 1 2 342.443 3.224 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cccc(C(=O)OC)n1 ZINC000560496849 459360074 /nfs/dbraw/zinc/36/00/74/459360074.db2.gz OOUKZKMCIVPGOH-UHFFFAOYSA-N 1 2 342.443 3.224 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595617150 459369684 /nfs/dbraw/zinc/36/96/84/459369684.db2.gz VFYNCGLGOUMSCF-STQMWFEESA-N 1 2 330.819 3.164 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595617150 459369693 /nfs/dbraw/zinc/36/96/93/459369693.db2.gz VFYNCGLGOUMSCF-STQMWFEESA-N 1 2 330.819 3.164 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000595619494 459371664 /nfs/dbraw/zinc/37/16/64/459371664.db2.gz BZXJZGHSUBFMQF-GFCCVEGCSA-N 1 2 346.481 3.436 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000595619494 459371668 /nfs/dbraw/zinc/37/16/68/459371668.db2.gz BZXJZGHSUBFMQF-GFCCVEGCSA-N 1 2 346.481 3.436 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591407488 459372715 /nfs/dbraw/zinc/37/27/15/459372715.db2.gz JFFUPLMSMJQBFU-PKOBYXMFSA-N 1 2 349.438 3.179 20 30 EGEDLO Cc1cc(C)cc(C2=CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)c1 ZINC000538786262 459373718 /nfs/dbraw/zinc/37/37/18/459373718.db2.gz JHYRNDKGUUKHHN-OAQYLSRUSA-N 1 2 339.483 3.447 20 30 EGEDLO Cc1cc(C)cc(C2=CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)c1 ZINC000538786262 459373723 /nfs/dbraw/zinc/37/37/23/459373723.db2.gz JHYRNDKGUUKHHN-OAQYLSRUSA-N 1 2 339.483 3.447 20 30 EGEDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595631074 459376106 /nfs/dbraw/zinc/37/61/06/459376106.db2.gz QJWNQLMBUUDRHO-ZDUSSCGKSA-N 1 2 342.424 3.411 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](c2ccc(CC)cc2)C1 ZINC000484351366 459412300 /nfs/dbraw/zinc/41/23/00/459412300.db2.gz IPEUDBPEQIOCOK-XLIONFOSSA-N 1 2 344.499 3.435 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@H](c2ccc(CC)cc2)C1 ZINC000484351366 459412307 /nfs/dbraw/zinc/41/23/07/459412307.db2.gz IPEUDBPEQIOCOK-XLIONFOSSA-N 1 2 344.499 3.435 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000595784609 459439045 /nfs/dbraw/zinc/43/90/45/459439045.db2.gz SXBZSKXKSZWMTK-MOPGFXCFSA-N 1 2 342.439 3.053 20 30 EGEDLO CC[C@H]([NH2+]Cc1cccc(C#N)c1F)c1nnc2n1CCCCC2 ZINC000595799586 459445793 /nfs/dbraw/zinc/44/57/93/459445793.db2.gz MZCZTZYSUNIMML-HNNXBMFYSA-N 1 2 327.407 3.256 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(c2c(F)cccc2F)CC1 ZINC000485908848 459479317 /nfs/dbraw/zinc/47/93/17/459479317.db2.gz UGPKWAXZULQGIU-LJQANCHMSA-N 1 2 349.425 3.199 20 30 EGEDLO COc1ccc(C#N)cc1C[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000541700068 459481199 /nfs/dbraw/zinc/48/11/99/459481199.db2.gz RNGZPIVEEXKELT-FQEVSTJZSA-N 1 2 336.435 3.400 20 30 EGEDLO COc1ccc(C#N)cc1C[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000541700068 459481203 /nfs/dbraw/zinc/48/12/03/459481203.db2.gz RNGZPIVEEXKELT-FQEVSTJZSA-N 1 2 336.435 3.400 20 30 EGEDLO CCCCCc1nnc(NC(=O)C[NH+]2CCC(CCC#N)CC2)s1 ZINC000583201528 459500041 /nfs/dbraw/zinc/50/00/41/459500041.db2.gz JWMYLFLYYSOASM-UHFFFAOYSA-N 1 2 349.504 3.225 20 30 EGEDLO COC(=O)[C@H]([NH2+]CCC1(C#N)CCCCC1)[C@@H]1CCC[C@H](OC)C1 ZINC000570165994 459553465 /nfs/dbraw/zinc/55/34/65/459553465.db2.gz HNEXORZRPDZNQT-IXDOHACOSA-N 1 2 336.476 3.187 20 30 EGEDLO C=CCn1cccc1C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000488843473 459553746 /nfs/dbraw/zinc/55/37/46/459553746.db2.gz MMHAYTSRQDMFDE-INIZCTEOSA-N 1 2 341.430 3.332 20 30 EGEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(C)c(C(=O)OCC)s1 ZINC000489502718 459565402 /nfs/dbraw/zinc/56/54/02/459565402.db2.gz VPJUJVIOVISQCD-ZDUSSCGKSA-N 1 2 336.457 3.212 20 30 EGEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C)c(C(=O)OCC)s1 ZINC000489502718 459565406 /nfs/dbraw/zinc/56/54/06/459565406.db2.gz VPJUJVIOVISQCD-ZDUSSCGKSA-N 1 2 336.457 3.212 20 30 EGEDLO CCc1nc(C#N)cc(N2CCC(n3c(C)[nH+]c4ccccc43)CC2)n1 ZINC000596223322 459565865 /nfs/dbraw/zinc/56/58/65/459565865.db2.gz MJMQRWWLYCMPBT-UHFFFAOYSA-N 1 2 346.438 3.410 20 30 EGEDLO C#C[C@H](NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21)c1ccc(Cl)cc1 ZINC000491295844 459613892 /nfs/dbraw/zinc/61/38/92/459613892.db2.gz JFDWWXBLTUFBFX-CQDKDKBSSA-N 1 2 328.803 3.216 20 30 EGEDLO Cc1cc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)ccn1 ZINC000527539663 459658514 /nfs/dbraw/zinc/65/85/14/459658514.db2.gz NSWPKMRNYMIMMR-LJQANCHMSA-N 1 2 340.858 3.426 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000592945229 459722016 /nfs/dbraw/zinc/72/20/16/459722016.db2.gz GRASMCOVBYOOTP-KBPBESRZSA-N 1 2 340.452 3.478 20 30 EGEDLO N#CC1(CC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCCCC1 ZINC000596702418 459733964 /nfs/dbraw/zinc/73/39/64/459733964.db2.gz TZYRUWOUFUQQLJ-UHFFFAOYSA-N 1 2 326.444 3.162 20 30 EGEDLO CC[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@H](C)CO1 ZINC000593063418 459761282 /nfs/dbraw/zinc/76/12/82/459761282.db2.gz MWDCQMYGRQGYEG-IEBWSBKVSA-N 1 2 343.471 3.049 20 30 EGEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@H](C)CO1 ZINC000593063418 459761287 /nfs/dbraw/zinc/76/12/87/459761287.db2.gz MWDCQMYGRQGYEG-IEBWSBKVSA-N 1 2 343.471 3.049 20 30 EGEDLO Cc1c(C#N)cccc1NC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000596803447 459766892 /nfs/dbraw/zinc/76/68/92/459766892.db2.gz QGVCACAVVSELOE-UHFFFAOYSA-N 1 2 335.411 3.184 20 30 EGEDLO C[C@H](CC(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000593112812 459776225 /nfs/dbraw/zinc/77/62/25/459776225.db2.gz KTQWXHMGMDGTSZ-BXUZGUMPSA-N 1 2 336.317 3.234 20 30 EGEDLO CCC(C#N)(CC)C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000528022349 459797430 /nfs/dbraw/zinc/79/74/30/459797430.db2.gz XVZDXOPHOQBWBQ-UHFFFAOYSA-N 1 2 328.460 3.264 20 30 EGEDLO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000528500490 459808622 /nfs/dbraw/zinc/80/86/22/459808622.db2.gz BSAFCUKURJPTJQ-BBRMVZONSA-N 1 2 344.846 3.408 20 30 EGEDLO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000528500490 459808626 /nfs/dbraw/zinc/80/86/26/459808626.db2.gz BSAFCUKURJPTJQ-BBRMVZONSA-N 1 2 344.846 3.408 20 30 EGEDLO CCC(C#N)(CC)C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000529464229 459829541 /nfs/dbraw/zinc/82/95/41/459829541.db2.gz PBWKIIFEAVTCAH-UHFFFAOYSA-N 1 2 339.237 3.179 20 30 EGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000597184144 459867606 /nfs/dbraw/zinc/86/76/06/459867606.db2.gz HDOHNTFJZPQMTJ-BRWVUGGUSA-N 1 2 336.439 3.202 20 30 EGEDLO CC[C@H](CC#N)[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000575134742 459934277 /nfs/dbraw/zinc/93/42/77/459934277.db2.gz HOAQNBKGQAHEEY-YPMHNXCESA-N 1 2 326.227 3.381 20 30 EGEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000618289731 459959758 /nfs/dbraw/zinc/95/97/58/459959758.db2.gz RHACAUYFKUJMTE-GOSISDBHSA-N 1 2 340.496 3.476 20 30 EGEDLO N#Cc1ccc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000609552378 459980771 /nfs/dbraw/zinc/98/07/71/459980771.db2.gz UADFWZIYUBVUFB-CQSZACIVSA-N 1 2 329.791 3.277 20 30 EGEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000594035339 460066725 /nfs/dbraw/zinc/06/67/25/460066725.db2.gz GGBQWXLNUDRSDW-WMLDXEAASA-N 1 2 336.439 3.080 20 30 EGEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)[C@@H](C#N)CCc2ccccc2)CC1(C)C ZINC000576198110 460088439 /nfs/dbraw/zinc/08/84/39/460088439.db2.gz UCMDURZDKLARBF-IAGOWNOFSA-N 1 2 336.439 3.102 20 30 EGEDLO CN(C)C[C@@H]([NH2+]Cc1cccc(C#N)n1)c1cccc(C(F)(F)F)c1 ZINC000602730171 460091602 /nfs/dbraw/zinc/09/16/02/460091602.db2.gz YRSSTKYUHNVZJJ-QGZVFWFLSA-N 1 2 348.372 3.365 20 30 EGEDLO CCN(C(C)=O)c1nc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cs1 ZINC000610345151 460126758 /nfs/dbraw/zinc/12/67/58/460126758.db2.gz VCMTWKBSYGYPNO-LBPRGKRZSA-N 1 2 328.441 3.238 20 30 EGEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC(=Cc2cccc(F)c2)CC1)C1CC1 ZINC000610432479 460149188 /nfs/dbraw/zinc/14/91/88/460149188.db2.gz GCSMDWQHZHVYQS-HXUWFJFHSA-N 1 2 341.430 3.113 20 30 EGEDLO Cc1nc(Nc2ccc(N3CCc4sccc4C3)[nH+]c2)ccc1C#N ZINC000589859075 460152397 /nfs/dbraw/zinc/15/23/97/460152397.db2.gz UCWYBQYDAGEHDV-UHFFFAOYSA-N 1 2 347.447 3.446 20 30 EGEDLO C[C@@H](CC#N)[NH2+]CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000602870595 460166701 /nfs/dbraw/zinc/16/67/01/460166701.db2.gz USZXQQQOVUARIV-IFXJQAMLSA-N 1 2 341.842 3.437 20 30 EGEDLO C[N@@H+](Cc1c(F)cccc1Cl)C[C@@H](O)COc1ccccc1C#N ZINC000599252062 460205948 /nfs/dbraw/zinc/20/59/48/460205948.db2.gz LFJYNONZHRRYNL-CQSZACIVSA-N 1 2 348.805 3.222 20 30 EGEDLO C[N@H+](Cc1c(F)cccc1Cl)C[C@@H](O)COc1ccccc1C#N ZINC000599252062 460205955 /nfs/dbraw/zinc/20/59/55/460205955.db2.gz LFJYNONZHRRYNL-CQSZACIVSA-N 1 2 348.805 3.222 20 30 EGEDLO C[C@H]1C[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H](C)C1(F)F ZINC000599514600 460266057 /nfs/dbraw/zinc/26/60/57/460266057.db2.gz YHGCRVBCYCFVOU-QWRGUYRKSA-N 1 2 341.789 3.373 20 30 EGEDLO N#Cc1cnn(-c2ccccc2)c1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000603270412 460275201 /nfs/dbraw/zinc/27/52/01/460275201.db2.gz JMUPTKUPHJDJHS-UHFFFAOYSA-N 1 2 344.422 3.351 20 30 EGEDLO N#Cc1cccc(COc2cccc(C[N@@H+]3CCc4c[nH]nc4C3)c2)c1 ZINC000611273694 460325978 /nfs/dbraw/zinc/32/59/78/460325978.db2.gz SKVNIDSVBRLGRK-UHFFFAOYSA-N 1 2 344.418 3.419 20 30 EGEDLO N#Cc1cccc(COc2cccc(C[N@H+]3CCc4c[nH]nc4C3)c2)c1 ZINC000611273694 460325983 /nfs/dbraw/zinc/32/59/83/460325983.db2.gz SKVNIDSVBRLGRK-UHFFFAOYSA-N 1 2 344.418 3.419 20 30 EGEDLO Cc1cc(NC(=O)N2CC[C@@](F)(C#N)C2)c[nH+]c1N1CCCC[C@H]1C ZINC000615543049 460345381 /nfs/dbraw/zinc/34/53/81/460345381.db2.gz OSPBDDRUZOFXDR-RDTXWAMCSA-N 1 2 345.422 3.238 20 30 EGEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(C#N)c1 ZINC000611387144 460350381 /nfs/dbraw/zinc/35/03/81/460350381.db2.gz ZQRNVYFHIPECKH-LBPRGKRZSA-N 1 2 349.350 3.367 20 30 EGEDLO CC(C)[C@H](C#N)N1CC[NH+](CCOc2ccc(F)cc2Cl)CC1 ZINC000611432228 460363972 /nfs/dbraw/zinc/36/39/72/460363972.db2.gz VJWZSMWIOFJREH-INIZCTEOSA-N 1 2 339.842 3.024 20 30 EGEDLO COc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2Br)cn1 ZINC000611500664 460378183 /nfs/dbraw/zinc/37/81/83/460378183.db2.gz JNJVHESFMBKYLJ-UHFFFAOYSA-N 1 2 346.228 3.356 20 30 EGEDLO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2Br)cn1 ZINC000611500664 460378189 /nfs/dbraw/zinc/37/81/89/460378189.db2.gz JNJVHESFMBKYLJ-UHFFFAOYSA-N 1 2 346.228 3.356 20 30 EGEDLO C[C@]1(C#N)CCC[N@@H+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000615798529 460393468 /nfs/dbraw/zinc/39/34/68/460393468.db2.gz AXSPVZWWWDBTHG-PKOBYXMFSA-N 1 2 347.409 3.081 20 30 EGEDLO C[C@]1(C#N)CCC[N@H+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000615798529 460393472 /nfs/dbraw/zinc/39/34/72/460393472.db2.gz AXSPVZWWWDBTHG-PKOBYXMFSA-N 1 2 347.409 3.081 20 30 EGEDLO C=CCc1cc(C[N@H+]2CCCCC[C@@H]2C(=O)OC)cc(OC)c1O ZINC000611606693 460413485 /nfs/dbraw/zinc/41/34/85/460413485.db2.gz MBIPNZHBSUINRQ-MRXNPFEDSA-N 1 2 333.428 3.047 20 30 EGEDLO C=CCc1cc(C[N@@H+]2CCCCC[C@@H]2C(=O)OC)cc(OC)c1O ZINC000611606693 460413489 /nfs/dbraw/zinc/41/34/89/460413489.db2.gz MBIPNZHBSUINRQ-MRXNPFEDSA-N 1 2 333.428 3.047 20 30 EGEDLO CC[N@H+](CCC(F)(F)F)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000604525315 460440642 /nfs/dbraw/zinc/44/06/42/460440642.db2.gz NELSBMHQBMRWHE-UHFFFAOYSA-N 1 2 333.741 3.424 20 30 EGEDLO CC[N@@H+](CCC(F)(F)F)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000604525315 460440650 /nfs/dbraw/zinc/44/06/50/460440650.db2.gz NELSBMHQBMRWHE-UHFFFAOYSA-N 1 2 333.741 3.424 20 30 EGEDLO CC[N@H+](CCC(F)(F)F)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000604525174 460441357 /nfs/dbraw/zinc/44/13/57/460441357.db2.gz JDICHSHXHMACSP-UHFFFAOYSA-N 1 2 333.741 3.424 20 30 EGEDLO CC[N@@H+](CCC(F)(F)F)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000604525174 460441359 /nfs/dbraw/zinc/44/13/59/460441359.db2.gz JDICHSHXHMACSP-UHFFFAOYSA-N 1 2 333.741 3.424 20 30 EGEDLO C=CCCC[C@@H](C)NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000633154506 460976374 /nfs/dbraw/zinc/97/63/74/460976374.db2.gz UMUUTGLTBWUDKZ-OAHLLOKOSA-N 1 2 348.516 3.179 20 30 EGEDLO C=CCCn1cc(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)nn1 ZINC000653525135 461699785 /nfs/dbraw/zinc/69/97/85/461699785.db2.gz BSACDDASKSCEOY-LJQANCHMSA-N 1 2 344.434 3.175 20 30 EGEDLO C=CCCn1cc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)nn1 ZINC000653525135 461699791 /nfs/dbraw/zinc/69/97/91/461699791.db2.gz BSACDDASKSCEOY-LJQANCHMSA-N 1 2 344.434 3.175 20 30 EGEDLO C=CCCn1cc(C[NH2+]Cc2cccc(NC(=O)CC(C)C)c2)nn1 ZINC000657330893 462051530 /nfs/dbraw/zinc/05/15/30/462051530.db2.gz FROQCTNVOZBVRG-UHFFFAOYSA-N 1 2 341.459 3.129 20 30 EGEDLO C=CCCn1cc(C[NH2+][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)nn1 ZINC000657336832 462056635 /nfs/dbraw/zinc/05/66/35/462056635.db2.gz YBTLRESVZMIPAK-ROUUACIJSA-N 1 2 330.407 3.003 20 30 EGEDLO Cc1ccc([C@@H](CNc2ccc(C#N)c(C)n2)[NH+]2CCOCC2)cc1 ZINC000488084664 468070262 /nfs/dbraw/zinc/07/02/62/468070262.db2.gz RPFULGYADGDSLA-LJQANCHMSA-N 1 2 336.439 3.056 20 30 EGEDLO C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3Cc4ccccc43)c[nH+]2)CCO1 ZINC000329449077 547498590 /nfs/dbraw/zinc/49/85/90/547498590.db2.gz DFDQWJPGWRBSAL-KDOFPFPSSA-N 1 2 337.423 3.103 20 30 EGEDLO O=C(NCc1c[nH]cn1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329501793 547499087 /nfs/dbraw/zinc/49/90/87/547499087.db2.gz YSVHNKKODXHLKF-CQSZACIVSA-N 1 2 327.432 3.373 20 30 EGEDLO COc1ccc2c(c1NC(=O)N1CCC(c3[nH]cc[nH+]3)CC1)CCC2 ZINC000330103788 547512935 /nfs/dbraw/zinc/51/29/35/547512935.db2.gz HCHISDUGVSORMJ-UHFFFAOYSA-N 1 2 340.427 3.332 20 30 EGEDLO CCc1ccc([C@H](C)NC(=O)C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)cc1 ZINC000330160407 547515087 /nfs/dbraw/zinc/51/50/87/547515087.db2.gz RYSCPJWXAZGWPH-FTRWYGJKSA-N 1 2 346.471 3.146 20 30 EGEDLO CCc1ccc([C@H](C)NC(=O)C[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)cc1 ZINC000330160407 547515090 /nfs/dbraw/zinc/51/50/90/547515090.db2.gz RYSCPJWXAZGWPH-FTRWYGJKSA-N 1 2 346.471 3.146 20 30 EGEDLO C=C(CNC(=O)NCCc1cn2cccc(C)c2[nH+]1)c1ccccc1 ZINC000672914611 548503794 /nfs/dbraw/zinc/50/37/94/548503794.db2.gz NIYLYXVUGMFYCG-UHFFFAOYSA-N 1 2 334.423 3.198 20 30 EGEDLO COCC#CC[N@@H+]1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000681168431 549963408 /nfs/dbraw/zinc/96/34/08/549963408.db2.gz JFJXAXVCGAWKBU-HNNXBMFYSA-N 1 2 329.387 3.445 20 30 EGEDLO COCC#CC[N@H+]1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000681168431 549963410 /nfs/dbraw/zinc/96/34/10/549963410.db2.gz JFJXAXVCGAWKBU-HNNXBMFYSA-N 1 2 329.387 3.445 20 30 EGEDLO COCC#CC[N@@H+]1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000682779156 550143310 /nfs/dbraw/zinc/14/33/10/550143310.db2.gz GUPSMDVSIFDDEP-SFHVURJKSA-N 1 2 327.403 3.393 20 30 EGEDLO COCC#CC[N@H+]1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000682779156 550143313 /nfs/dbraw/zinc/14/33/13/550143313.db2.gz GUPSMDVSIFDDEP-SFHVURJKSA-N 1 2 327.403 3.393 20 30 EGEDLO C#Cc1cccc(NC(=S)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000726481582 574558488 /nfs/dbraw/zinc/55/84/88/574558488.db2.gz DKHUDEUJMOWDQI-MRXNPFEDSA-N 1 2 326.469 3.266 20 30 EGEDLO C#Cc1cccc(NC(=S)NN=Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000727259937 574656573 /nfs/dbraw/zinc/65/65/73/574656573.db2.gz PDBRBPDSKOLHFZ-UHFFFAOYSA-N 1 2 345.431 3.174 20 30 EGEDLO COc1ccc(NC(=S)N[NH+]=Cc2ccc(N(C)C)cc2)cc1F ZINC000727261245 574656791 /nfs/dbraw/zinc/65/67/91/574656791.db2.gz XRABEAAEEYPRSC-UHFFFAOYSA-N 1 2 346.431 3.221 20 30 EGEDLO Cc1c(N[NH+]=Cc2ccc(N3CCOCC3)cc2)cccc1[N+](=O)[O-] ZINC000727973244 574707867 /nfs/dbraw/zinc/70/78/67/574707867.db2.gz WAMYYIXEGILUIB-UHFFFAOYSA-N 1 2 340.383 3.186 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000730097979 574919584 /nfs/dbraw/zinc/91/95/84/574919584.db2.gz PWWBJYQXQDLUHB-SFHVURJKSA-N 1 2 345.874 3.366 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000730097979 574919587 /nfs/dbraw/zinc/91/95/87/574919587.db2.gz PWWBJYQXQDLUHB-SFHVURJKSA-N 1 2 345.874 3.366 20 30 EGEDLO COC(=O)COc1ccc(C(C)=NNc2cc[nH+]c3ccccc23)cc1 ZINC000730147909 574925221 /nfs/dbraw/zinc/92/52/21/574925221.db2.gz KUMVPJIJUXOTNO-UHFFFAOYSA-N 1 2 349.390 3.045 20 30 EGEDLO CC(C)CN1c2ccccc2C(=NNc2cc[nH+]c3ccccc23)C1=O ZINC000730147750 574925246 /nfs/dbraw/zinc/92/52/46/574925246.db2.gz JOQRGYWCYHRGNY-UHFFFAOYSA-N 1 2 344.418 3.476 20 30 EGEDLO C#CCOc1ccccc1C[N@H+](C)CC(=O)NCCC1=CCCCC1 ZINC000730260483 574963625 /nfs/dbraw/zinc/96/36/25/574963625.db2.gz IUPFCQKPAQKRMP-UHFFFAOYSA-N 1 2 340.467 3.137 20 30 EGEDLO C#CCOc1ccccc1C[N@@H+](C)CC(=O)NCCC1=CCCCC1 ZINC000730260483 574963628 /nfs/dbraw/zinc/96/36/28/574963628.db2.gz IUPFCQKPAQKRMP-UHFFFAOYSA-N 1 2 340.467 3.137 20 30 EGEDLO C=C1CC[NH+](CC(=O)Nc2ccc(C(=O)OCCCC)cc2)CC1 ZINC000731032935 575047712 /nfs/dbraw/zinc/04/77/12/575047712.db2.gz PWQQDAHCPQPHNZ-UHFFFAOYSA-N 1 2 330.428 3.234 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2ccccc2OC)c1 ZINC000732122370 575238301 /nfs/dbraw/zinc/23/83/01/575238301.db2.gz PPUBZIVVURNTFO-IBGZPJMESA-N 1 2 334.419 3.398 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2ccccc2OC)c1 ZINC000732122370 575238302 /nfs/dbraw/zinc/23/83/02/575238302.db2.gz PPUBZIVVURNTFO-IBGZPJMESA-N 1 2 334.419 3.398 20 30 EGEDLO Cc1cc(C(N)=[NH+]OCCCOc2ccc(C#N)cc2)ccc1F ZINC000732193920 575243391 /nfs/dbraw/zinc/24/33/91/575243391.db2.gz MLEVBQJASVARTL-UHFFFAOYSA-N 1 2 327.359 3.112 20 30 EGEDLO C=CC[C@@H](NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)c1ccncc1 ZINC000734679970 575541045 /nfs/dbraw/zinc/54/10/45/575541045.db2.gz LKHJBGUBVJCUAS-CVEARBPZSA-N 1 2 325.416 3.359 20 30 EGEDLO CCN(CC)c1ccc(C=[NH+]NC(=S)Nc2cccnc2)cc1F ZINC000739399368 576407779 /nfs/dbraw/zinc/40/77/79/576407779.db2.gz CPSVHIIMUQTQEB-UHFFFAOYSA-N 1 2 345.447 3.387 20 30 EGEDLO C=CCc1cc(OCC)cc(C[N@H+]2CCO[C@H](C(F)(F)F)C2)c1O ZINC000739873955 576512594 /nfs/dbraw/zinc/51/25/94/576512594.db2.gz KNAUHOVIWBKERO-HNNXBMFYSA-N 1 2 345.361 3.283 20 30 EGEDLO Cc1ccc(-n2c(Cl)c(C=[NH+]NCC(F)F)nc2N(C)C)cc1 ZINC000740618511 576607709 /nfs/dbraw/zinc/60/77/09/576607709.db2.gz SLXYHCPITKPQQK-UHFFFAOYSA-N 1 2 341.793 3.089 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c1=S ZINC000740861951 576630827 /nfs/dbraw/zinc/63/08/27/576630827.db2.gz UAGMCAHZBMUIHB-KBPBESRZSA-N 1 2 329.473 3.350 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+]2C[C@@H](C)C[C@@H]2C)c1=S ZINC000740861951 576630829 /nfs/dbraw/zinc/63/08/29/576630829.db2.gz UAGMCAHZBMUIHB-KBPBESRZSA-N 1 2 329.473 3.350 20 30 EGEDLO CC(=[NH+]Nc1nc(-c2ccccn2)nc2c1CCC2)c1ccc(N)cc1 ZINC000741810657 576724777 /nfs/dbraw/zinc/72/47/77/576724777.db2.gz WHSJBBUGWUOFRE-UHFFFAOYSA-N 1 2 344.422 3.446 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2CC[C@H](c3ccccc3)[C@@H](C)C2)c1=S ZINC000742165874 576753970 /nfs/dbraw/zinc/75/39/70/576753970.db2.gz LWUDNZHNCBOSKP-HOCLYGCPSA-N 1 2 329.473 3.078 20 30 EGEDLO C=CCn1nnn(C[N@H+]2CC[C@H](c3ccccc3)[C@@H](C)C2)c1=S ZINC000742165874 576753972 /nfs/dbraw/zinc/75/39/72/576753972.db2.gz LWUDNZHNCBOSKP-HOCLYGCPSA-N 1 2 329.473 3.078 20 30 EGEDLO C#C[C@H](C)OC(=O)c1cccc(OCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000744181346 576822445 /nfs/dbraw/zinc/82/24/45/576822445.db2.gz MKYANCUKVDSGND-HNNXBMFYSA-N 1 2 334.375 3.400 20 30 EGEDLO C#CC[N@H+](CC(=O)Nc1cc(F)ccc1F)Cc1ccc(F)cc1 ZINC000744211605 576823117 /nfs/dbraw/zinc/82/31/17/576823117.db2.gz WNMREDSHKLGTNH-UHFFFAOYSA-N 1 2 332.325 3.178 20 30 EGEDLO C#CC[N@@H+](CC(=O)Nc1cc(F)ccc1F)Cc1ccc(F)cc1 ZINC000744211605 576823118 /nfs/dbraw/zinc/82/31/18/576823118.db2.gz WNMREDSHKLGTNH-UHFFFAOYSA-N 1 2 332.325 3.178 20 30 EGEDLO Cc1cccc(C(C)C)c1NC(=O)CO[NH+]=C(N)c1ccccc1 ZINC000020887358 1291195719 /nfs/dbraw/zinc/19/57/19/1291195719.db2.gz XWNGTXWDUHHTKU-UHFFFAOYSA-N 1 2 325.412 3.394 20 30 EGEDLO CC(C)(C)c1ccccc1NC(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000029464523 1291330446 /nfs/dbraw/zinc/33/04/46/1291330446.db2.gz BPNBYMNWSLPWCI-UHFFFAOYSA-N 1 2 343.402 3.399 20 30 EGEDLO COc1ccc(C(N)=[NH+]OCc2ccc(SC)c(OC)c2)cc1 ZINC000068774968 1292215900 /nfs/dbraw/zinc/21/59/00/1292215900.db2.gz UIIRRZQJJVYTMZ-UHFFFAOYSA-N 1 2 332.425 3.263 20 30 EGEDLO C#CC1CC[NH+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000830333842 1292706982 /nfs/dbraw/zinc/70/69/82/1292706982.db2.gz LESCRYHTOWPVAK-UHFFFAOYSA-N 1 2 343.427 3.233 20 30 EGEDLO C=CCONC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000834935771 1293177834 /nfs/dbraw/zinc/17/78/34/1293177834.db2.gz PVZPEFLEXZJWNP-CQSZACIVSA-N 1 2 341.814 3.033 20 30 EGEDLO CCCCOC(=O)[C@@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000119052731 1293252486 /nfs/dbraw/zinc/25/24/86/1293252486.db2.gz UNYADZPARORZFG-OAHLLOKOSA-N 1 2 330.428 3.133 20 30 EGEDLO C[C@H](C#N)Oc1ccc(CNc2cc(CSCCO)cc[nH+]2)cc1 ZINC000130208654 1293649092 /nfs/dbraw/zinc/64/90/92/1293649092.db2.gz ADMNERGQYNLSQG-CQSZACIVSA-N 1 2 343.452 3.210 20 30 EGEDLO NC(Cc1cccnc1)=[NH+]OCc1csc(-c2ccc(F)cc2)n1 ZINC000137655171 1293830920 /nfs/dbraw/zinc/83/09/20/1293830920.db2.gz HXCVSFOMMINZLL-UHFFFAOYSA-N 1 2 342.399 3.376 20 30 EGEDLO NC(Cc1cccnc1)=[NH+]OCc1csc(-c2cccs2)n1 ZINC000153893814 1294032481 /nfs/dbraw/zinc/03/24/81/1294032481.db2.gz INDQBIOWMRFLHM-UHFFFAOYSA-N 1 2 330.438 3.298 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000157068102 1294167694 /nfs/dbraw/zinc/16/76/94/1294167694.db2.gz KGBAJHMZPBAJHZ-MRXNPFEDSA-N 1 2 334.847 3.291 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000157068102 1294167697 /nfs/dbraw/zinc/16/76/97/1294167697.db2.gz KGBAJHMZPBAJHZ-MRXNPFEDSA-N 1 2 334.847 3.291 20 30 EGEDLO C[C@H](O[NH+]=C(N)Cc1ccccc1)c1nc(Cc2ccccc2)no1 ZINC000157101122 1294168831 /nfs/dbraw/zinc/16/88/31/1294168831.db2.gz KACKRKSWKVUORI-AWEZNQCLSA-N 1 2 336.395 3.253 20 30 EGEDLO C#CCOc1ccc([C@@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)cc1 ZINC000182886712 1295083249 /nfs/dbraw/zinc/08/32/49/1295083249.db2.gz NPTPUIRCPBZNPE-MRXNPFEDSA-N 1 2 337.423 3.103 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2CC[C@@H](C)[C@@H]2CC)c1=S ZINC000184990114 1295234000 /nfs/dbraw/zinc/23/40/00/1295234000.db2.gz FNAVBTKYPNVYMK-HIFRSBDPSA-N 1 2 344.488 3.135 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2CC[C@@H](C)[C@@H]2CC)c1=S ZINC000184990114 1295234010 /nfs/dbraw/zinc/23/40/10/1295234010.db2.gz FNAVBTKYPNVYMK-HIFRSBDPSA-N 1 2 344.488 3.135 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+]2CC[C@@H](C)[C@@H]2C)c1=S ZINC000246881796 1296374037 /nfs/dbraw/zinc/37/40/37/1296374037.db2.gz MSXTZBUUCGIPNH-KGLIPLIRSA-N 1 2 329.473 3.350 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c1=S ZINC000246881796 1296374053 /nfs/dbraw/zinc/37/40/53/1296374053.db2.gz MSXTZBUUCGIPNH-KGLIPLIRSA-N 1 2 329.473 3.350 20 30 EGEDLO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CCC#N ZINC000338132943 1297285695 /nfs/dbraw/zinc/28/56/95/1297285695.db2.gz IPXZUBNXGJESHQ-UHFFFAOYSA-N 1 2 333.233 3.255 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000357123192 1297472485 /nfs/dbraw/zinc/47/24/85/1297472485.db2.gz KCCUDGACBUIKTO-ZWKOTPCHSA-N 1 2 336.439 3.214 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)cc1 ZINC000586067386 1298049659 /nfs/dbraw/zinc/04/96/59/1298049659.db2.gz WAVSVNSINMWSQI-FQEVSTJZSA-N 1 2 333.435 3.261 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)cc1 ZINC000586067386 1298049669 /nfs/dbraw/zinc/04/96/69/1298049669.db2.gz WAVSVNSINMWSQI-FQEVSTJZSA-N 1 2 333.435 3.261 20 30 EGEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000749154854 1299155079 /nfs/dbraw/zinc/15/50/79/1299155079.db2.gz HMGCVVYAWKZRKJ-UHFFFAOYSA-N 1 2 328.412 3.012 20 30 EGEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000749154854 1299155083 /nfs/dbraw/zinc/15/50/83/1299155083.db2.gz HMGCVVYAWKZRKJ-UHFFFAOYSA-N 1 2 328.412 3.012 20 30 EGEDLO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)Cc2ccccc21 ZINC000751469401 1299554104 /nfs/dbraw/zinc/55/41/04/1299554104.db2.gz YGPNPTOECGFXQO-CXAGYDPISA-N 1 2 337.448 3.344 20 30 EGEDLO C[C@@H]1C[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)Cc2ccccc21 ZINC000751469401 1299554108 /nfs/dbraw/zinc/55/41/08/1299554108.db2.gz YGPNPTOECGFXQO-CXAGYDPISA-N 1 2 337.448 3.344 20 30 EGEDLO C#CC(=O)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000753928119 1300042323 /nfs/dbraw/zinc/04/23/23/1300042323.db2.gz IKNHYSCAZISMCL-UHFFFAOYSA-N 1 2 344.867 3.346 20 30 EGEDLO Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879584904 1300614159 /nfs/dbraw/zinc/61/41/59/1300614159.db2.gz MNRCXQZXWNMXGT-QGZVFWFLSA-N 1 2 348.450 3.016 20 30 EGEDLO C#CC[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000757597112 1300691526 /nfs/dbraw/zinc/69/15/26/1300691526.db2.gz KGRUVCHLYPVYKQ-FQEVSTJZSA-N 1 2 329.403 3.426 20 30 EGEDLO C/C(=C\c1ccccc1)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000758036776 1300775506 /nfs/dbraw/zinc/77/55/06/1300775506.db2.gz VPJNNAFMKBTAEN-MGJGCBFKSA-N 1 2 341.455 3.439 20 30 EGEDLO C[C@H]1CCN(C(=O)c2ccccc2SCC#N)C[C@H]1n1cc[nH+]c1 ZINC000759485177 1301101060 /nfs/dbraw/zinc/10/10/60/1301101060.db2.gz YUPRQBRLYYVKJL-GOEBONIOSA-N 1 2 340.452 3.222 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2C[C@H](C)C[C@H]2CC)c1=S ZINC000765059063 1302193342 /nfs/dbraw/zinc/19/33/42/1302193342.db2.gz YOZZZGMIPXFIGK-ZIAGYGMSSA-N 1 2 344.488 3.135 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2C[C@H](C)C[C@H]2CC)c1=S ZINC000765059063 1302193347 /nfs/dbraw/zinc/19/33/47/1302193347.db2.gz YOZZZGMIPXFIGK-ZIAGYGMSSA-N 1 2 344.488 3.135 20 30 EGEDLO C#CC[NH+](CC#C)Cc1cc(OC)c(OCc2ccccc2)c(OC)c1 ZINC000769443032 1303113110 /nfs/dbraw/zinc/11/31/10/1303113110.db2.gz OSRMKIUYAQBOKH-UHFFFAOYSA-N 1 2 349.430 3.351 20 30 EGEDLO C#CC[NH+]1CCC(C(=O)O[C@@H](CC)C(=O)c2ccc(Cl)cc2)CC1 ZINC000772113747 1303488272 /nfs/dbraw/zinc/48/82/72/1303488272.db2.gz RQPKVMAGLBVAIQ-KRWDZBQOSA-N 1 2 347.842 3.190 20 30 EGEDLO CCN(C)c1ccc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000773732876 1303731306 /nfs/dbraw/zinc/73/13/06/1303731306.db2.gz UPEHXPIICCBAOZ-UHFFFAOYSA-N 1 2 348.494 3.332 20 30 EGEDLO CS(=O)(=O)c1cccc(N[NH+]=C2CCCNc3ccccc32)c1 ZINC000774399696 1303806708 /nfs/dbraw/zinc/80/67/08/1303806708.db2.gz RGHSYOOSMRJDNQ-UHFFFAOYSA-N 1 2 329.425 3.112 20 30 EGEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774858000 1303868478 /nfs/dbraw/zinc/86/84/78/1303868478.db2.gz KCBVIXABDKNPMH-UHFFFAOYSA-N 1 2 344.342 3.084 20 30 EGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774858000 1303868482 /nfs/dbraw/zinc/86/84/82/1303868482.db2.gz KCBVIXABDKNPMH-UHFFFAOYSA-N 1 2 344.342 3.084 20 30 EGEDLO C#C[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)[C@@H]1CCCO1 ZINC000775571340 1303985930 /nfs/dbraw/zinc/98/59/30/1303985930.db2.gz FRQJASLFCPAMHO-HERUPUMHSA-N 1 2 342.208 3.125 20 30 EGEDLO C#C[C@H]([NH2+]Cc1csc(-c2ccc(OCC)cc2)n1)[C@@H]1CCCO1 ZINC000775785274 1304037345 /nfs/dbraw/zinc/03/73/45/1304037345.db2.gz MWJQUNZGUGUAEU-ROUUACIJSA-N 1 2 342.464 3.479 20 30 EGEDLO N#Cc1cccc(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)c1F ZINC000778236106 1304426039 /nfs/dbraw/zinc/42/60/39/1304426039.db2.gz FOYNRNGZDFNNFA-UHFFFAOYSA-N 1 2 346.352 3.459 20 30 EGEDLO N#Cc1ccc(C2=CC[N@H+](CN3CC4(CCCC4)OC3=O)CC2)cc1 ZINC000778575461 1304469919 /nfs/dbraw/zinc/46/99/19/1304469919.db2.gz UNWPKSQOTICALV-UHFFFAOYSA-N 1 2 337.423 3.370 20 30 EGEDLO N#Cc1ccc(C2=CC[N@@H+](CN3CC4(CCCC4)OC3=O)CC2)cc1 ZINC000778575461 1304469927 /nfs/dbraw/zinc/46/99/27/1304469927.db2.gz UNWPKSQOTICALV-UHFFFAOYSA-N 1 2 337.423 3.370 20 30 EGEDLO C[C@H]1C[NH+]=C(NN=Cc2c3ccccc3n(C)c2-c2ccccc2)N1 ZINC000779805038 1304607591 /nfs/dbraw/zinc/60/75/91/1304607591.db2.gz IZRVNNXYMRYJDP-AWEZNQCLSA-N 1 2 331.423 3.117 20 30 EGEDLO CC#CC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000788275472 1305912466 /nfs/dbraw/zinc/91/24/66/1305912466.db2.gz FJFDEFCHCLZSTA-UHFFFAOYSA-N 1 2 342.439 3.222 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(CC2CCC2)c1)Cc1ccc(CO)o1 ZINC000894412821 1308864506 /nfs/dbraw/zinc/86/45/06/1308864506.db2.gz LXAJLZJKNAAYMC-UHFFFAOYSA-N 1 2 329.444 3.347 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(CC2CCC2)c1)Cc1ccc(CO)o1 ZINC000894412821 1308864520 /nfs/dbraw/zinc/86/45/20/1308864520.db2.gz LXAJLZJKNAAYMC-UHFFFAOYSA-N 1 2 329.444 3.347 20 30 EGEDLO C[C@H](CC(C)(C)C#N)[NH2+][C@H](CCNC(=O)OC(C)(C)C)C(F)F ZINC000894695820 1309025724 /nfs/dbraw/zinc/02/57/24/1309025724.db2.gz USPKPIXIFOESNM-VXGBXAGGSA-N 1 2 333.423 3.453 20 30 EGEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)COc1cccc(C#N)c1 ZINC000794206420 1309486838 /nfs/dbraw/zinc/48/68/38/1309486838.db2.gz MXNABOJTEFMDHK-UHFFFAOYSA-N 1 2 332.363 3.274 20 30 EGEDLO CC(=NOCc1c[nH+]cn1C)c1ccc(Br)cc1F ZINC000795245706 1309704974 /nfs/dbraw/zinc/70/49/74/1309704974.db2.gz GFJJNQHAAYLXOD-UHFFFAOYSA-N 1 2 326.169 3.263 20 30 EGEDLO C#CC[N@@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)Cc1ccccc1 ZINC000796639379 1310053771 /nfs/dbraw/zinc/05/37/71/1310053771.db2.gz KXXNKBBMQQYZKH-QFIPXVFZSA-N 1 2 332.447 3.389 20 30 EGEDLO C#CC[N@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)Cc1ccccc1 ZINC000796639379 1310053778 /nfs/dbraw/zinc/05/37/78/1310053778.db2.gz KXXNKBBMQQYZKH-QFIPXVFZSA-N 1 2 332.447 3.389 20 30 EGEDLO CSc1ccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 ZINC000798274438 1310332670 /nfs/dbraw/zinc/33/26/70/1310332670.db2.gz DZEVVLTYRREXSE-ZBFHGGJFSA-N 1 2 347.484 3.257 20 30 EGEDLO Cc1ccc(C)c(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 ZINC000798274272 1310332782 /nfs/dbraw/zinc/33/27/82/1310332782.db2.gz BQXXVBQCSRNFSR-SJORKVTESA-N 1 2 329.444 3.152 20 30 EGEDLO CSc1ccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 ZINC000798274437 1310332794 /nfs/dbraw/zinc/33/27/94/1310332794.db2.gz DZEVVLTYRREXSE-HOCLYGCPSA-N 1 2 347.484 3.257 20 30 EGEDLO N#Cc1ccc(N[NH2+]C2=CC(=O)N3CCCC[C@H]23)cc1C(F)(F)F ZINC000799479252 1310557971 /nfs/dbraw/zinc/55/79/71/1310557971.db2.gz YGFRYJRMYSEGOA-CQSZACIVSA-N 1 2 336.317 3.130 20 30 EGEDLO N#Cc1ccccc1-c1ccccc1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802235528 1316991570 /nfs/dbraw/zinc/99/15/70/1316991570.db2.gz OCNHWTVNZLVLTG-MRXNPFEDSA-N 1 2 338.382 3.426 20 30 EGEDLO N#Cc1ccccc1-c1ccccc1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802235528 1316991577 /nfs/dbraw/zinc/99/15/77/1316991577.db2.gz OCNHWTVNZLVLTG-MRXNPFEDSA-N 1 2 338.382 3.426 20 30 EGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cccc2[nH+]ccn21 ZINC000804562808 1317260566 /nfs/dbraw/zinc/26/05/66/1317260566.db2.gz SESRHVNPCHGSJE-UHFFFAOYSA-N 1 2 337.427 3.330 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)C1 ZINC000957409548 1317341305 /nfs/dbraw/zinc/34/13/05/1317341305.db2.gz ZLDLFDBCGFRPLZ-NVXWUHKLSA-N 1 2 334.410 3.177 20 30 EGEDLO CCOC(=O)c1[nH]c2c(c1C)C(=O)/C(=C\c1c[nH+]cn1C(C)C)CC2 ZINC000901437467 1317425124 /nfs/dbraw/zinc/42/51/24/1317425124.db2.gz AJJNHVGBKJJBTE-JYRVWZFOSA-N 1 2 341.411 3.490 20 30 EGEDLO C#C[C@H](NC(=O)Nc1cc(C)[nH+]cc1C)c1ccc(Cl)cc1F ZINC000806380772 1317484661 /nfs/dbraw/zinc/48/46/61/1317484661.db2.gz FEUFJHCMHZIDCF-HNNXBMFYSA-N 1 2 331.778 3.409 20 30 EGEDLO N#CC1(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)CCC1 ZINC000807948414 1317604064 /nfs/dbraw/zinc/60/40/64/1317604064.db2.gz IBNRRDKNNDPTDA-AWEZNQCLSA-N 1 2 326.444 3.125 20 30 EGEDLO N#CC1(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)CCC1 ZINC000807948414 1317604068 /nfs/dbraw/zinc/60/40/68/1317604068.db2.gz IBNRRDKNNDPTDA-AWEZNQCLSA-N 1 2 326.444 3.125 20 30 EGEDLO C=C[C@@H](C(=O)N1CC[NH+](Cc2cnccc2C)CC1)c1ccccc1 ZINC000957744596 1317611202 /nfs/dbraw/zinc/61/12/02/1317611202.db2.gz XNUZVSIQYXVECK-HXUWFJFHSA-N 1 2 335.451 3.004 20 30 EGEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccsc1C#N ZINC000903483888 1317705637 /nfs/dbraw/zinc/70/56/37/1317705637.db2.gz PHTPHISLGRLWJA-UHFFFAOYSA-N 1 2 341.436 3.013 20 30 EGEDLO C#Cc1ccccc1Cc1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000810284339 1317993053 /nfs/dbraw/zinc/99/30/53/1317993053.db2.gz TVGXMLRFFQWFAT-UHFFFAOYSA-N 1 2 328.375 3.189 20 30 EGEDLO C#Cc1ccccc1CC(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000810715766 1318048134 /nfs/dbraw/zinc/04/81/34/1318048134.db2.gz QJMDIMWJYOKGMM-UHFFFAOYSA-N 1 2 330.387 3.448 20 30 EGEDLO CC1CC(C#N)(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)C1 ZINC000907816507 1318265743 /nfs/dbraw/zinc/26/57/43/1318265743.db2.gz VFNKAMKWLGREFA-KLSXAPCHSA-N 1 2 340.471 3.371 20 30 EGEDLO CC1CC(C#N)(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)C1 ZINC000907816507 1318265752 /nfs/dbraw/zinc/26/57/52/1318265752.db2.gz VFNKAMKWLGREFA-KLSXAPCHSA-N 1 2 340.471 3.371 20 30 EGEDLO C=CCCCCCCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000811927045 1318292274 /nfs/dbraw/zinc/29/22/74/1318292274.db2.gz IRHKBULEFBOXNU-ZWKOTPCHSA-N 1 2 337.508 3.018 20 30 EGEDLO CC1(C#N)CC[NH+](CN2C[C@H](c3cccc(Cl)c3)CC2=O)CC1 ZINC000812288466 1318357715 /nfs/dbraw/zinc/35/77/15/1318357715.db2.gz MIKCGARVOLSDFN-OAHLLOKOSA-N 1 2 331.847 3.239 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCN1C(=O)c1ccco1 ZINC000960376837 1318501069 /nfs/dbraw/zinc/50/10/69/1318501069.db2.gz ZSCGKGZOBBHIHP-QGZVFWFLSA-N 1 2 341.386 3.027 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCN1C(=O)c1ccco1 ZINC000960376837 1318501075 /nfs/dbraw/zinc/50/10/75/1318501075.db2.gz ZSCGKGZOBBHIHP-QGZVFWFLSA-N 1 2 341.386 3.027 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)nc1 ZINC000814171143 1318686826 /nfs/dbraw/zinc/68/68/26/1318686826.db2.gz IAHVBGAOTOHORX-CQSZACIVSA-N 1 2 347.777 3.105 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)nc1 ZINC000814171143 1318686834 /nfs/dbraw/zinc/68/68/34/1318686834.db2.gz IAHVBGAOTOHORX-CQSZACIVSA-N 1 2 347.777 3.105 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nc(C)oc1C ZINC000960785691 1318888522 /nfs/dbraw/zinc/88/85/22/1318888522.db2.gz HRAHGMODLOSMMN-INIZCTEOSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1nc(C)oc1C ZINC000960785691 1318888527 /nfs/dbraw/zinc/88/85/27/1318888527.db2.gz HRAHGMODLOSMMN-INIZCTEOSA-N 1 2 333.476 3.317 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1coc(C2CC2)n1 ZINC000960792706 1318898217 /nfs/dbraw/zinc/89/82/17/1318898217.db2.gz VOVRMYXDNOZCPJ-MRXNPFEDSA-N 1 2 331.460 3.187 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1coc(C2CC2)n1 ZINC000960792706 1318898226 /nfs/dbraw/zinc/89/82/26/1318898226.db2.gz VOVRMYXDNOZCPJ-MRXNPFEDSA-N 1 2 331.460 3.187 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2ccn(CC)n2)CC1 ZINC000960834112 1318962228 /nfs/dbraw/zinc/96/22/28/1318962228.db2.gz SLSKGXIFIHPTND-LJQANCHMSA-N 1 2 344.503 3.072 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2ccn(CC)n2)CC1 ZINC000960834112 1318962235 /nfs/dbraw/zinc/96/22/35/1318962235.db2.gz SLSKGXIFIHPTND-LJQANCHMSA-N 1 2 344.503 3.072 20 30 EGEDLO C=CCC[C@H](Nc1ccc(N2CCN(C(=O)OC)CC2)[nH+]c1)C1CC1 ZINC000815656555 1319039418 /nfs/dbraw/zinc/03/94/18/1319039418.db2.gz ZICDYRZACIEXFU-KRWDZBQOSA-N 1 2 344.459 3.127 20 30 EGEDLO C[C@@H](NC(=O)N1CCC(Nc2cccc[nH+]2)CC1)c1ccc(C#N)cc1 ZINC000914205684 1319266008 /nfs/dbraw/zinc/26/60/08/1319266008.db2.gz XGGJHYQAPOYYSP-OAHLLOKOSA-N 1 2 349.438 3.300 20 30 EGEDLO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC000961367042 1319523596 /nfs/dbraw/zinc/52/35/96/1319523596.db2.gz LVVPQCVHIXSOIF-UONOGXRCSA-N 1 2 336.373 3.023 20 30 EGEDLO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC000961367042 1319523603 /nfs/dbraw/zinc/52/36/03/1319523603.db2.gz LVVPQCVHIXSOIF-UONOGXRCSA-N 1 2 336.373 3.023 20 30 EGEDLO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)C1 ZINC000961367042 1319523612 /nfs/dbraw/zinc/52/36/12/1319523612.db2.gz LVVPQCVHIXSOIF-UONOGXRCSA-N 1 2 336.373 3.023 20 30 EGEDLO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)C1 ZINC000961367042 1319523619 /nfs/dbraw/zinc/52/36/19/1319523619.db2.gz LVVPQCVHIXSOIF-UONOGXRCSA-N 1 2 336.373 3.023 20 30 EGEDLO CN(CCC#N)c1ccc(C=[NH+]NC(=S)Nc2ccccc2)cc1 ZINC000915923817 1319562880 /nfs/dbraw/zinc/56/28/80/1319562880.db2.gz PSAQOTWVICRAPJ-UHFFFAOYSA-N 1 2 337.452 3.357 20 30 EGEDLO C=C1CCC(C(=O)NC2[C@H]3C[N@@H+](C/C(Cl)=C/Cl)C[C@@H]23)CC1 ZINC000961668138 1319687841 /nfs/dbraw/zinc/68/78/41/1319687841.db2.gz NJLGFGXIFVINRT-XMTMCKMQSA-N 1 2 329.271 3.098 20 30 EGEDLO C=C1CCC(C(=O)NC2[C@H]3C[N@H+](C/C(Cl)=C/Cl)C[C@@H]23)CC1 ZINC000961668138 1319687851 /nfs/dbraw/zinc/68/78/51/1319687851.db2.gz NJLGFGXIFVINRT-XMTMCKMQSA-N 1 2 329.271 3.098 20 30 EGEDLO Cc1cc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)c(C)n1Cc1ccccc1 ZINC000819809626 1319789683 /nfs/dbraw/zinc/78/96/83/1319789683.db2.gz VNQMXYGEFBRXTA-PMACEKPBSA-N 1 2 349.482 3.347 20 30 EGEDLO Clc1cc(N[NH+]=Cc2cnc(N3CCCC3)nc2)cc(Cl)n1 ZINC000819830821 1319791529 /nfs/dbraw/zinc/79/15/29/1319791529.db2.gz GCERFYVJVSVYCC-UHFFFAOYSA-N 1 2 337.214 3.225 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000826861542 1320409442 /nfs/dbraw/zinc/40/94/42/1320409442.db2.gz GNNKOIFQUXZGEK-LLVKDONJSA-N 1 2 338.205 3.483 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000826861542 1320409444 /nfs/dbraw/zinc/40/94/44/1320409444.db2.gz GNNKOIFQUXZGEK-LLVKDONJSA-N 1 2 338.205 3.483 20 30 EGEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000839601045 1320943730 /nfs/dbraw/zinc/94/37/30/1320943730.db2.gz HVPRNWUNHLKXCJ-LJQANCHMSA-N 1 2 345.446 3.457 20 30 EGEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000839601045 1320943736 /nfs/dbraw/zinc/94/37/36/1320943736.db2.gz HVPRNWUNHLKXCJ-LJQANCHMSA-N 1 2 345.446 3.457 20 30 EGEDLO CC1(C#N)CC[NH+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000848484185 1321964185 /nfs/dbraw/zinc/96/41/85/1321964185.db2.gz XHYPMJPZZIASLB-UHFFFAOYSA-N 1 2 325.372 3.041 20 30 EGEDLO C=C(C)[C@@H](CC(=O)OCC1CCN(c2cccc[nH+]2)CC1)OCC ZINC000851400359 1323032912 /nfs/dbraw/zinc/03/29/12/1323032912.db2.gz ZSQBLGDSVZDTAA-QGZVFWFLSA-N 1 2 332.444 3.213 20 30 EGEDLO C#C[C@](C)(CC)[NH2+]Cc1nc(-c2cccc(Br)c2)no1 ZINC000852098475 1323145617 /nfs/dbraw/zinc/14/56/17/1323145617.db2.gz OHCVKKSLHSKTNM-OAHLLOKOSA-N 1 2 334.217 3.391 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1CCCCC1 ZINC001024304984 1323289114 /nfs/dbraw/zinc/28/91/14/1323289114.db2.gz IQYBUKUMHYXXKA-OAHLLOKOSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)C1CCCCC1 ZINC001024304984 1323289120 /nfs/dbraw/zinc/28/91/20/1323289120.db2.gz IQYBUKUMHYXXKA-OAHLLOKOSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C(F)F)nc1 ZINC001024469072 1323425672 /nfs/dbraw/zinc/42/56/72/1323425672.db2.gz PHHQJJWOLBHPKF-CYBMUJFWSA-N 1 2 343.805 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C(F)F)nc1 ZINC001024469072 1323425677 /nfs/dbraw/zinc/42/56/77/1323425677.db2.gz PHHQJJWOLBHPKF-CYBMUJFWSA-N 1 2 343.805 3.356 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC001024480179 1323434418 /nfs/dbraw/zinc/43/44/18/1323434418.db2.gz CKESBGYWGCEOIV-CYBMUJFWSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC001024480179 1323434422 /nfs/dbraw/zinc/43/44/22/1323434422.db2.gz CKESBGYWGCEOIV-CYBMUJFWSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccsc1COC ZINC001024509760 1323457808 /nfs/dbraw/zinc/45/78/08/1323457808.db2.gz ZWGLEYCGADKMAG-CYBMUJFWSA-N 1 2 342.892 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccsc1COC ZINC001024509760 1323457814 /nfs/dbraw/zinc/45/78/14/1323457814.db2.gz ZWGLEYCGADKMAG-CYBMUJFWSA-N 1 2 342.892 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccnc(C2CC2)c1 ZINC001024535618 1323477504 /nfs/dbraw/zinc/47/75/04/1323477504.db2.gz VCOYHNVYCXCQIG-MRXNPFEDSA-N 1 2 333.863 3.296 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccnc(C2CC2)c1 ZINC001024535618 1323477509 /nfs/dbraw/zinc/47/75/09/1323477509.db2.gz VCOYHNVYCXCQIG-MRXNPFEDSA-N 1 2 333.863 3.296 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)n(CC)c1C ZINC001024537344 1323478751 /nfs/dbraw/zinc/47/87/51/1323478751.db2.gz DUJVKDXUSYREBY-MRXNPFEDSA-N 1 2 337.895 3.462 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)n(CC)c1C ZINC001024537344 1323478756 /nfs/dbraw/zinc/47/87/56/1323478756.db2.gz DUJVKDXUSYREBY-MRXNPFEDSA-N 1 2 337.895 3.462 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(OCC)c1 ZINC001024682783 1323597421 /nfs/dbraw/zinc/59/74/21/1323597421.db2.gz KQAAKUATORLRFT-MRXNPFEDSA-N 1 2 336.863 3.422 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(OCC)c1 ZINC001024682783 1323597426 /nfs/dbraw/zinc/59/74/26/1323597426.db2.gz KQAAKUATORLRFT-MRXNPFEDSA-N 1 2 336.863 3.422 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nc(C(C)C)no1 ZINC001025070316 1323871913 /nfs/dbraw/zinc/87/19/13/1323871913.db2.gz XRMWIGJCTDFAMR-DNVCBOLYSA-N 1 2 348.491 3.266 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc([S@@](C)=O)cc1 ZINC000853422771 1325091336 /nfs/dbraw/zinc/09/13/36/1325091336.db2.gz SEFPBWIGBKNIMB-HSZRJFAPSA-N 1 2 328.437 3.223 20 30 EGEDLO C=CC[C@H]1CCC[N@@H+](Cn2nc(-c3ccccn3)n(C)c2=S)C1 ZINC000853537124 1325119203 /nfs/dbraw/zinc/11/92/03/1325119203.db2.gz PNGFHBCXGYVXRB-AWEZNQCLSA-N 1 2 329.473 3.259 20 30 EGEDLO C=CC[C@H]1CCC[N@H+](Cn2nc(-c3ccccn3)n(C)c2=S)C1 ZINC000853537124 1325119205 /nfs/dbraw/zinc/11/92/05/1325119205.db2.gz PNGFHBCXGYVXRB-AWEZNQCLSA-N 1 2 329.473 3.259 20 30 EGEDLO CCCCc1ccc(NC(=O)C=NOCc2ccc[nH+]c2N)cc1 ZINC000853639770 1325138450 /nfs/dbraw/zinc/13/84/50/1325138450.db2.gz OIWFSIDKADZOPT-UHFFFAOYSA-N 1 2 326.400 3.148 20 30 EGEDLO C[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C[C@@H]1NC(=O)C1CCC1 ZINC000964614379 1325580258 /nfs/dbraw/zinc/58/02/58/1325580258.db2.gz UXYOMNHTSGBWKT-KXBFYZLASA-N 1 2 344.886 3.318 20 30 EGEDLO C[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C[C@@H]1NC(=O)C1CCC1 ZINC000964614379 1325580262 /nfs/dbraw/zinc/58/02/62/1325580262.db2.gz UXYOMNHTSGBWKT-KXBFYZLASA-N 1 2 344.886 3.318 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@H]([N@H+](C)CC(=C)Br)C2)CC1 ZINC001192180794 1367707862 /nfs/dbraw/zinc/70/78/62/1367707862.db2.gz MBOMCNNOVFGZBB-AWEZNQCLSA-N 1 2 341.293 3.174 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@H]([N@@H+](C)CC(=C)Br)C2)CC1 ZINC001192180794 1367707866 /nfs/dbraw/zinc/70/78/66/1367707866.db2.gz MBOMCNNOVFGZBB-AWEZNQCLSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2nocc2C)C1 ZINC001027425952 1327660327 /nfs/dbraw/zinc/66/03/27/1327660327.db2.gz OHIYCRDIHMHUJR-CQSZACIVSA-N 1 2 339.867 3.185 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2nocc2C)C1 ZINC001027425952 1327660333 /nfs/dbraw/zinc/66/03/33/1327660333.db2.gz OHIYCRDIHMHUJR-CQSZACIVSA-N 1 2 339.867 3.185 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2cscn2)C1 ZINC001027426209 1327663170 /nfs/dbraw/zinc/66/31/70/1327663170.db2.gz RHHGDUUBBAORKW-CQSZACIVSA-N 1 2 341.908 3.345 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cscn2)C1 ZINC001027426209 1327663176 /nfs/dbraw/zinc/66/31/76/1327663176.db2.gz RHHGDUUBBAORKW-CQSZACIVSA-N 1 2 341.908 3.345 20 30 EGEDLO Cc1occc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1C ZINC000964930871 1327775147 /nfs/dbraw/zinc/77/51/47/1327775147.db2.gz CBXPQRHGBYQEHF-IFXJQAMLSA-N 1 2 337.423 3.100 20 30 EGEDLO Cc1occc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)CC[C@@H]1C ZINC000964930871 1327775153 /nfs/dbraw/zinc/77/51/53/1327775153.db2.gz CBXPQRHGBYQEHF-IFXJQAMLSA-N 1 2 337.423 3.100 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@@H+](C)[C@@H](C)c3nc(C)no3)C2)CC1 ZINC001027555314 1327861959 /nfs/dbraw/zinc/86/19/59/1327861959.db2.gz JCISPGCCGBYQCI-YOEHRIQHSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@H+](C)[C@@H](C)c3nc(C)no3)C2)CC1 ZINC001027555314 1327861962 /nfs/dbraw/zinc/86/19/62/1327861962.db2.gz JCISPGCCGBYQCI-YOEHRIQHSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]([N@H+](C)Cc2nc(C)c(C)o2)C1 ZINC001027559980 1327873354 /nfs/dbraw/zinc/87/33/54/1327873354.db2.gz LUXOMQIOIMVARI-QFBILLFUSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]([N@@H+](C)Cc2nc(C)c(C)o2)C1 ZINC001027559980 1327873362 /nfs/dbraw/zinc/87/33/62/1327873362.db2.gz LUXOMQIOIMVARI-QFBILLFUSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]([N@H+](C)Cc2nc(C)oc2C)C1 ZINC001027560251 1327874988 /nfs/dbraw/zinc/87/49/88/1327874988.db2.gz UEUIGUZFOAWRIU-VQIMIIECSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2nc(C)oc2C)C1 ZINC001027560251 1327874996 /nfs/dbraw/zinc/87/49/96/1327874996.db2.gz UEUIGUZFOAWRIU-VQIMIIECSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@@H+](C)[C@H](C)c3nnc(C)s3)C2)C1 ZINC001027567767 1327897843 /nfs/dbraw/zinc/89/78/43/1327897843.db2.gz ZZJJDEFCVPTPOS-UKRRQHHQSA-N 1 2 348.516 3.187 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@H+](C)[C@H](C)c3nnc(C)s3)C2)C1 ZINC001027567767 1327897846 /nfs/dbraw/zinc/89/78/46/1327897846.db2.gz ZZJJDEFCVPTPOS-UKRRQHHQSA-N 1 2 348.516 3.187 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1coc2c1cccc2OC ZINC001027885004 1328351264 /nfs/dbraw/zinc/35/12/64/1328351264.db2.gz WGPHPZYSIRYKIR-ZDUSSCGKSA-N 1 2 348.830 3.388 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1coc2c1cccc2OC ZINC001027885004 1328351270 /nfs/dbraw/zinc/35/12/70/1328351270.db2.gz WGPHPZYSIRYKIR-ZDUSSCGKSA-N 1 2 348.830 3.388 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(F)c(C)cc1F ZINC001027949773 1328421306 /nfs/dbraw/zinc/42/13/06/1328421306.db2.gz YIIZNRZXMJQXIM-LBPRGKRZSA-N 1 2 328.790 3.220 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(F)c(C)cc1F ZINC001027949773 1328421309 /nfs/dbraw/zinc/42/13/09/1328421309.db2.gz YIIZNRZXMJQXIM-LBPRGKRZSA-N 1 2 328.790 3.220 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2cc(C)ccc2O1 ZINC001028025373 1328488910 /nfs/dbraw/zinc/48/89/10/1328488910.db2.gz ITXRIVKEBBSYAZ-WMZOPIPTSA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2cc(C)ccc2O1 ZINC001028025373 1328488917 /nfs/dbraw/zinc/48/89/17/1328488917.db2.gz ITXRIVKEBBSYAZ-WMZOPIPTSA-N 1 2 348.874 3.022 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccc3[nH]ccc3c2)[C@@H](C#N)C1 ZINC000862324436 1329475431 /nfs/dbraw/zinc/47/54/31/1329475431.db2.gz MMAKQYSCFXUIEW-RDJZCZTQSA-N 1 2 340.427 3.017 20 30 EGEDLO Cc1ccc(C)c(N[NH+]=Cc2c(Cl)nc(N)nc2N2CCCC2)c1 ZINC000863966605 1329591235 /nfs/dbraw/zinc/59/12/35/1329591235.db2.gz HFKRXFYNZMQZRE-UHFFFAOYSA-N 1 2 344.850 3.375 20 30 EGEDLO C=CCOCSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000865341350 1329687614 /nfs/dbraw/zinc/68/76/14/1329687614.db2.gz GBHPZTLKOYGZGK-GFCCVEGCSA-N 1 2 336.436 3.281 20 30 EGEDLO CO[C@@H](C)c1noc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC000933613022 1329906060 /nfs/dbraw/zinc/90/60/60/1329906060.db2.gz OPMYNMLKLVDZFH-ZDUSSCGKSA-N 1 2 326.400 3.028 20 30 EGEDLO C#Cc1ccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000934937517 1330018753 /nfs/dbraw/zinc/01/87/53/1330018753.db2.gz JWWNAGYNWKNPHG-UHFFFAOYSA-N 1 2 325.437 3.079 20 30 EGEDLO Cc1ccc(C#N)cc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000935714345 1330074898 /nfs/dbraw/zinc/07/48/98/1330074898.db2.gz HIDLKZFBVOMHIR-UHFFFAOYSA-N 1 2 348.450 3.419 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)C2(C)CC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC000947327851 1333090687 /nfs/dbraw/zinc/09/06/87/1333090687.db2.gz KBYPASMXZVUPEH-RDJZCZTQSA-N 1 2 344.886 3.461 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)C2(C)CC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC000947327851 1333090690 /nfs/dbraw/zinc/09/06/90/1333090690.db2.gz KBYPASMXZVUPEH-RDJZCZTQSA-N 1 2 344.886 3.461 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2n[nH]c3ccc(C)cc32)C[C@@H]1C ZINC000947493226 1333145876 /nfs/dbraw/zinc/14/58/76/1333145876.db2.gz QUYCCBSTINIQGN-GJZGRUSLSA-N 1 2 326.444 3.030 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2n[nH]c3ccc(C)cc32)C[C@@H]1C ZINC000947493226 1333145882 /nfs/dbraw/zinc/14/58/82/1333145882.db2.gz QUYCCBSTINIQGN-GJZGRUSLSA-N 1 2 326.444 3.030 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)co2)C[C@@H]1C ZINC000947617193 1333194239 /nfs/dbraw/zinc/19/42/39/1333194239.db2.gz WRXLVOOWTLJGAM-QWHCGFSZSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)co2)C[C@@H]1C ZINC000947617193 1333194243 /nfs/dbraw/zinc/19/42/43/1333194243.db2.gz WRXLVOOWTLJGAM-QWHCGFSZSA-N 1 2 341.249 3.079 20 30 EGEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)C[C@H]3CCC(F)(F)C3)CC2)c1 ZINC000948678453 1333624191 /nfs/dbraw/zinc/62/41/91/1333624191.db2.gz KWIVYWDVQCXNEH-OAHLLOKOSA-N 1 2 347.409 3.028 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1sccc1F ZINC000948915808 1333732340 /nfs/dbraw/zinc/73/23/40/1333732340.db2.gz FFDJSBPUBKBDMS-MRXNPFEDSA-N 1 2 330.428 3.402 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1sccc1F ZINC000948915808 1333732343 /nfs/dbraw/zinc/73/23/43/1333732343.db2.gz FFDJSBPUBKBDMS-MRXNPFEDSA-N 1 2 330.428 3.402 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc2ncccc2o1 ZINC000948936797 1333741452 /nfs/dbraw/zinc/74/14/52/1333741452.db2.gz ZJMCFVDFOURTKS-GOSISDBHSA-N 1 2 347.418 3.343 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc2ncccc2o1 ZINC000948936797 1333741454 /nfs/dbraw/zinc/74/14/54/1333741454.db2.gz ZJMCFVDFOURTKS-GOSISDBHSA-N 1 2 347.418 3.343 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ocnc1C1CC1 ZINC000948958821 1333747855 /nfs/dbraw/zinc/74/78/55/1333747855.db2.gz QFHFDUGMOBPVIV-KRWDZBQOSA-N 1 2 337.423 3.067 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ocnc1C1CC1 ZINC000948958821 1333747859 /nfs/dbraw/zinc/74/78/59/1333747859.db2.gz QFHFDUGMOBPVIV-KRWDZBQOSA-N 1 2 337.423 3.067 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1oc(CC)cc1C ZINC000948978676 1333755365 /nfs/dbraw/zinc/75/53/65/1333755365.db2.gz NOWURGLFNMFEBN-LJQANCHMSA-N 1 2 336.435 3.113 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1oc(CC)cc1C ZINC000948978676 1333755367 /nfs/dbraw/zinc/75/53/67/1333755367.db2.gz NOWURGLFNMFEBN-LJQANCHMSA-N 1 2 336.435 3.113 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(F)cc1C ZINC000948982820 1333758714 /nfs/dbraw/zinc/75/87/14/1333758714.db2.gz QLPNPLBKYVWREW-FQEVSTJZSA-N 1 2 336.410 3.097 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(F)cc1C ZINC000948982820 1333758721 /nfs/dbraw/zinc/75/87/21/1333758721.db2.gz QLPNPLBKYVWREW-FQEVSTJZSA-N 1 2 336.410 3.097 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cccc(Cl)c1 ZINC000948983283 1333758836 /nfs/dbraw/zinc/75/88/36/1333758836.db2.gz YCRYHGOBZFTUHT-IBGZPJMESA-N 1 2 338.838 3.302 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cccc(Cl)c1 ZINC000948983283 1333758838 /nfs/dbraw/zinc/75/88/38/1333758838.db2.gz YCRYHGOBZFTUHT-IBGZPJMESA-N 1 2 338.838 3.302 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](CCO[C@H]2CCCC[C@H]2C)CC1 ZINC000949635797 1333887110 /nfs/dbraw/zinc/88/71/10/1333887110.db2.gz RHMZOJWJMWLKBR-MSOLQXFVSA-N 1 2 336.520 3.328 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cn(CC)c3ccccc23)C1 ZINC000950818258 1334135415 /nfs/dbraw/zinc/13/54/15/1334135415.db2.gz IJTWEUDALCOXAF-UHFFFAOYSA-N 1 2 325.456 3.384 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)C1 ZINC000950969916 1334162370 /nfs/dbraw/zinc/16/23/70/1334162370.db2.gz HJRCRGSSPBMARM-OALUTQOASA-N 1 2 330.447 3.428 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(F)c(F)c2F)C1 ZINC000968082458 1335854733 /nfs/dbraw/zinc/85/47/33/1335854733.db2.gz UHEDVBCBVRYJFR-ZANVPECISA-N 1 2 346.780 3.297 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(F)c(F)c2F)C1 ZINC000968082458 1335854736 /nfs/dbraw/zinc/85/47/36/1335854736.db2.gz UHEDVBCBVRYJFR-ZANVPECISA-N 1 2 346.780 3.297 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3nc(C)cs3)CC[C@H]2C)C1 ZINC000968213631 1335873153 /nfs/dbraw/zinc/87/31/53/1335873153.db2.gz PSDZNVXIWKVDOV-UKRRQHHQSA-N 1 2 333.501 3.134 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3nc(C)cs3)CC[C@H]2C)C1 ZINC000968213631 1335873154 /nfs/dbraw/zinc/87/31/54/1335873154.db2.gz PSDZNVXIWKVDOV-UKRRQHHQSA-N 1 2 333.501 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC000968628193 1335989313 /nfs/dbraw/zinc/98/93/13/1335989313.db2.gz ULVHRVWADOZRDD-SJCJKPOMSA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC000968628193 1335989318 /nfs/dbraw/zinc/98/93/18/1335989318.db2.gz ULVHRVWADOZRDD-SJCJKPOMSA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2ccc(C)s2)C1 ZINC000968677603 1336006354 /nfs/dbraw/zinc/00/63/54/1336006354.db2.gz GGJAJNOCECWLQU-ABAIWWIYSA-N 1 2 326.893 3.178 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2ccc(C)s2)C1 ZINC000968677603 1336006357 /nfs/dbraw/zinc/00/63/57/1336006357.db2.gz GGJAJNOCECWLQU-ABAIWWIYSA-N 1 2 326.893 3.178 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ocnc1C1CC1 ZINC000969025277 1336121229 /nfs/dbraw/zinc/12/12/29/1336121229.db2.gz MJIHXQFGAWDZIC-CQSZACIVSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1ocnc1C1CC1 ZINC000969025277 1336121231 /nfs/dbraw/zinc/12/12/31/1336121231.db2.gz MJIHXQFGAWDZIC-CQSZACIVSA-N 1 2 337.851 3.279 20 30 EGEDLO Cc1sccc1C(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969623269 1336229859 /nfs/dbraw/zinc/22/98/59/1336229859.db2.gz GYZRCEQKBHUNGN-ZDUSSCGKSA-N 1 2 339.464 3.179 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(-c3ccccc3)on2)C1 ZINC000970096535 1336279830 /nfs/dbraw/zinc/27/98/30/1336279830.db2.gz RILCFCDKJFZSPY-CYBMUJFWSA-N 1 2 345.830 3.144 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970393023 1336303366 /nfs/dbraw/zinc/30/33/66/1336303366.db2.gz GWFOHCNIFPAKJZ-DDUZABMNSA-N 1 2 343.446 3.070 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC000970559476 1336321701 /nfs/dbraw/zinc/32/17/01/1336321701.db2.gz YGHVRPUFZORBEW-NWANDNLSSA-N 1 2 338.904 3.349 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(OC)cc2Cl)C1 ZINC000970595800 1336325766 /nfs/dbraw/zinc/32/57/66/1336325766.db2.gz HONMHLUJSAWEMJ-NSHDSACASA-N 1 2 343.254 3.151 20 30 EGEDLO C=C1CCC(C(=O)N(C)C2CC[NH+](Cc3nccn3CC)CC2)CC1 ZINC001005928555 1336423208 /nfs/dbraw/zinc/42/32/08/1336423208.db2.gz FTHDBGZBKBZENX-UHFFFAOYSA-N 1 2 344.503 3.072 20 30 EGEDLO C=C1CCC(C(=O)N(C)C2CC[NH+](Cc3nc(C)c(C)o3)CC2)CC1 ZINC001005927697 1336423385 /nfs/dbraw/zinc/42/33/85/1336423385.db2.gz BWMKOQFQJPKBGF-UHFFFAOYSA-N 1 2 345.487 3.461 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccc3)C2)ccc1F ZINC001006617576 1336540141 /nfs/dbraw/zinc/54/01/41/1336540141.db2.gz XHIHZSKWRLSUMN-GOSISDBHSA-N 1 2 337.398 3.092 20 30 EGEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)c3ccccc3)C2)ccc1F ZINC001006617576 1336540144 /nfs/dbraw/zinc/54/01/44/1336540144.db2.gz XHIHZSKWRLSUMN-GOSISDBHSA-N 1 2 337.398 3.092 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](NC(=O)c3ccsc3)C2)c1 ZINC001006678181 1336555418 /nfs/dbraw/zinc/55/54/18/1336555418.db2.gz KDKQZTPVPDXISI-MRXNPFEDSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](NC(=O)c3ccsc3)C2)c1 ZINC001006678181 1336555420 /nfs/dbraw/zinc/55/54/20/1336555420.db2.gz KDKQZTPVPDXISI-MRXNPFEDSA-N 1 2 343.427 3.153 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)o1 ZINC001007005708 1336623634 /nfs/dbraw/zinc/62/36/34/1336623634.db2.gz OXJODZPNPIIDES-LJQANCHMSA-N 1 2 336.435 3.142 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)o1 ZINC001007005708 1336623636 /nfs/dbraw/zinc/62/36/36/1336623636.db2.gz OXJODZPNPIIDES-LJQANCHMSA-N 1 2 336.435 3.142 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c3ccccc23)C1 ZINC001009309408 1337003685 /nfs/dbraw/zinc/00/36/85/1337003685.db2.gz UCGJDJFKBBWNOS-OAHLLOKOSA-N 1 2 331.847 3.044 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c3ccccc23)C1 ZINC001009309408 1337003689 /nfs/dbraw/zinc/00/36/89/1337003689.db2.gz UCGJDJFKBBWNOS-OAHLLOKOSA-N 1 2 331.847 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001009375429 1337012166 /nfs/dbraw/zinc/01/21/66/1337012166.db2.gz FJYVGWRVVXMGBP-GOEBONIOSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001009375429 1337012168 /nfs/dbraw/zinc/01/21/68/1337012168.db2.gz FJYVGWRVVXMGBP-GOEBONIOSA-N 1 2 339.266 3.313 20 30 EGEDLO Cc1ccsc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001009912097 1337107801 /nfs/dbraw/zinc/10/78/01/1337107801.db2.gz RRIHSDNIGYKGKV-QGZVFWFLSA-N 1 2 342.439 3.051 20 30 EGEDLO Cc1ccsc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001009912097 1337107804 /nfs/dbraw/zinc/10/78/04/1337107804.db2.gz RRIHSDNIGYKGKV-QGZVFWFLSA-N 1 2 342.439 3.051 20 30 EGEDLO Cc1oc(C)c(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)c1C ZINC001015177888 1338042199 /nfs/dbraw/zinc/04/21/99/1338042199.db2.gz OVOMSSLUPACMHC-AWEZNQCLSA-N 1 2 343.452 3.142 20 30 EGEDLO Cc1oc(C)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)c1C ZINC001015177888 1338042202 /nfs/dbraw/zinc/04/22/02/1338042202.db2.gz OVOMSSLUPACMHC-AWEZNQCLSA-N 1 2 343.452 3.142 20 30 EGEDLO CC1(C)CC(CC(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)C1 ZINC001015600463 1338202546 /nfs/dbraw/zinc/20/25/46/1338202546.db2.gz DQFXFMRXEYAGTG-KRWDZBQOSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC(CC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)C1 ZINC001015600463 1338202551 /nfs/dbraw/zinc/20/25/51/1338202551.db2.gz DQFXFMRXEYAGTG-KRWDZBQOSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)CC=CC1 ZINC001015652726 1338233399 /nfs/dbraw/zinc/23/33/99/1338233399.db2.gz CKRAHSVFRCRGEE-GOSISDBHSA-N 1 2 342.870 3.238 20 30 EGEDLO CC1(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)CC=CC1 ZINC001015652726 1338233400 /nfs/dbraw/zinc/23/34/00/1338233400.db2.gz CKRAHSVFRCRGEE-GOSISDBHSA-N 1 2 342.870 3.238 20 30 EGEDLO CC1(C)CC[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001015671572 1338249318 /nfs/dbraw/zinc/24/93/18/1338249318.db2.gz YTFUKOMOQCGCSC-MAUKXSAKSA-N 1 2 325.456 3.075 20 30 EGEDLO CC1(C)CC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001015671572 1338249320 /nfs/dbraw/zinc/24/93/20/1338249320.db2.gz YTFUKOMOQCGCSC-MAUKXSAKSA-N 1 2 325.456 3.075 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C1 ZINC001015818384 1338325436 /nfs/dbraw/zinc/32/54/36/1338325436.db2.gz KKLIUNBDUFLNOC-HRCADAONSA-N 1 2 339.266 3.387 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C1 ZINC001015818384 1338325440 /nfs/dbraw/zinc/32/54/40/1338325440.db2.gz KKLIUNBDUFLNOC-HRCADAONSA-N 1 2 339.266 3.387 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3nc(C)sc3c2)C1 ZINC001015941782 1338367486 /nfs/dbraw/zinc/36/74/86/1338367486.db2.gz DPSDBADCYXKJPD-ZDUSSCGKSA-N 1 2 335.860 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3nc(C)sc3c2)C1 ZINC001015941782 1338367491 /nfs/dbraw/zinc/36/74/91/1338367491.db2.gz DPSDBADCYXKJPD-ZDUSSCGKSA-N 1 2 335.860 3.161 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)c2cc3ccccc3o2)C1 ZINC001015966873 1338382677 /nfs/dbraw/zinc/38/26/77/1338382677.db2.gz RIJZESLKTFMIEE-HIFRSBDPSA-N 1 2 332.831 3.479 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2cc3ccccc3o2)C1 ZINC001015966873 1338382680 /nfs/dbraw/zinc/38/26/80/1338382680.db2.gz RIJZESLKTFMIEE-HIFRSBDPSA-N 1 2 332.831 3.479 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1)C1CCCC1 ZINC001015972610 1338385938 /nfs/dbraw/zinc/38/59/38/1338385938.db2.gz LYXBDUSABRXJLH-BEFAXECRSA-N 1 2 325.456 3.075 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1)C1CCCC1 ZINC001015972610 1338385940 /nfs/dbraw/zinc/38/59/40/1338385940.db2.gz LYXBDUSABRXJLH-BEFAXECRSA-N 1 2 325.456 3.075 20 30 EGEDLO CCc1oc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)cc1C ZINC001015984270 1338392318 /nfs/dbraw/zinc/39/23/18/1338392318.db2.gz JRKPKTSHOITLDB-ZDUSSCGKSA-N 1 2 343.452 3.088 20 30 EGEDLO CCc1oc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)cc1C ZINC001015984270 1338392321 /nfs/dbraw/zinc/39/23/21/1338392321.db2.gz JRKPKTSHOITLDB-ZDUSSCGKSA-N 1 2 343.452 3.088 20 30 EGEDLO CCCc1occc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001015990673 1338395480 /nfs/dbraw/zinc/39/54/80/1338395480.db2.gz OPMCEASCIFAUKT-QGZVFWFLSA-N 1 2 337.423 3.108 20 30 EGEDLO CCCc1occc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001015990673 1338395483 /nfs/dbraw/zinc/39/54/83/1338395483.db2.gz OPMCEASCIFAUKT-QGZVFWFLSA-N 1 2 337.423 3.108 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001016047120 1338427054 /nfs/dbraw/zinc/42/70/54/1338427054.db2.gz PTGNQGLNYHDOOR-PCCBWWKXSA-N 1 2 345.446 3.052 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001016047120 1338427057 /nfs/dbraw/zinc/42/70/57/1338427057.db2.gz PTGNQGLNYHDOOR-PCCBWWKXSA-N 1 2 345.446 3.052 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCc3ccccc3C2)C1 ZINC001016101367 1338463204 /nfs/dbraw/zinc/46/32/04/1338463204.db2.gz OOJFPVPIOHPSDM-CRAIPNDOSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCc3ccccc3C2)C1 ZINC001016101367 1338463205 /nfs/dbraw/zinc/46/32/05/1338463205.db2.gz OOJFPVPIOHPSDM-CRAIPNDOSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)c(F)cc2Cl)C1 ZINC001016124439 1338470053 /nfs/dbraw/zinc/47/00/53/1338470053.db2.gz SYMZFKKBPDGYKH-NSHDSACASA-N 1 2 331.218 3.344 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)c(F)cc2Cl)C1 ZINC001016124439 1338470055 /nfs/dbraw/zinc/47/00/55/1338470055.db2.gz SYMZFKKBPDGYKH-NSHDSACASA-N 1 2 331.218 3.344 20 30 EGEDLO Cc1ccccc1[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001016322004 1338548179 /nfs/dbraw/zinc/54/81/79/1338548179.db2.gz WKLFEJSRJYUQAO-YLJYHZDGSA-N 1 2 347.462 3.361 20 30 EGEDLO Cc1ccccc1[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001016322004 1338548181 /nfs/dbraw/zinc/54/81/81/1338548181.db2.gz WKLFEJSRJYUQAO-YLJYHZDGSA-N 1 2 347.462 3.361 20 30 EGEDLO CC(C)(C)C1CC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001016376450 1338579314 /nfs/dbraw/zinc/57/93/14/1338579314.db2.gz VPWZAKMWDKJTCJ-ACBHZAAOSA-N 1 2 339.483 3.321 20 30 EGEDLO CC(C)(C)C1CC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001016376450 1338579320 /nfs/dbraw/zinc/57/93/20/1338579320.db2.gz VPWZAKMWDKJTCJ-ACBHZAAOSA-N 1 2 339.483 3.321 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC(c3cccc(F)c3)C2)C1 ZINC001016413542 1338594183 /nfs/dbraw/zinc/59/41/83/1338594183.db2.gz CZYKVEVMFYZODO-DQPZFDDXSA-N 1 2 336.838 3.262 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC(c3cccc(F)c3)C2)C1 ZINC001016413542 1338594184 /nfs/dbraw/zinc/59/41/84/1338594184.db2.gz CZYKVEVMFYZODO-DQPZFDDXSA-N 1 2 336.838 3.262 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC=CCC2)c1 ZINC001017342893 1339329989 /nfs/dbraw/zinc/32/99/89/1339329989.db2.gz DVLISYUWMZOSOU-SLFFLAALSA-N 1 2 335.451 3.090 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC=CCC2)c1 ZINC001017342893 1339330000 /nfs/dbraw/zinc/33/00/00/1339330000.db2.gz DVLISYUWMZOSOU-SLFFLAALSA-N 1 2 335.451 3.090 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC001017675440 1339388516 /nfs/dbraw/zinc/38/85/16/1339388516.db2.gz IWZBROZWCZVDLQ-WRTQPQOASA-N 1 2 349.478 3.170 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC001017675440 1339388521 /nfs/dbraw/zinc/38/85/21/1339388521.db2.gz IWZBROZWCZVDLQ-WRTQPQOASA-N 1 2 349.478 3.170 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC001017675438 1339388756 /nfs/dbraw/zinc/38/87/56/1339388756.db2.gz IWZBROZWCZVDLQ-ADAARDCZSA-N 1 2 349.478 3.170 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC001017675438 1339388758 /nfs/dbraw/zinc/38/87/58/1339388758.db2.gz IWZBROZWCZVDLQ-ADAARDCZSA-N 1 2 349.478 3.170 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001018039752 1339488295 /nfs/dbraw/zinc/48/82/95/1339488295.db2.gz DRFKAKQLHVNARY-ZSYWTGECSA-N 1 2 342.870 3.142 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001018039752 1339488298 /nfs/dbraw/zinc/48/82/98/1339488298.db2.gz DRFKAKQLHVNARY-ZSYWTGECSA-N 1 2 342.870 3.142 20 30 EGEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC001018073747 1339496611 /nfs/dbraw/zinc/49/66/11/1339496611.db2.gz VNQINHDHJNQWSG-GKJHBJHPSA-N 1 2 344.458 3.252 20 30 EGEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC001018073747 1339496613 /nfs/dbraw/zinc/49/66/13/1339496613.db2.gz VNQINHDHJNQWSG-GKJHBJHPSA-N 1 2 344.458 3.252 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc2cccc(OC)c2o1 ZINC001028100698 1340426606 /nfs/dbraw/zinc/42/66/06/1340426606.db2.gz HNJJGMWWAZOWIU-CQSZACIVSA-N 1 2 348.830 3.388 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2cccc(OC)c2o1 ZINC001028100698 1340426607 /nfs/dbraw/zinc/42/66/07/1340426607.db2.gz HNJJGMWWAZOWIU-CQSZACIVSA-N 1 2 348.830 3.388 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)c(F)c1F ZINC001028154783 1340454743 /nfs/dbraw/zinc/45/47/43/1340454743.db2.gz PDSKJVOLVIYYFN-GFCCVEGCSA-N 1 2 328.790 3.220 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)c(F)c1F ZINC001028154783 1340454748 /nfs/dbraw/zinc/45/47/48/1340454748.db2.gz PDSKJVOLVIYYFN-GFCCVEGCSA-N 1 2 328.790 3.220 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ncccc1C(F)(F)F ZINC001028243366 1340504912 /nfs/dbraw/zinc/50/49/12/1340504912.db2.gz OPFUFXSGPQLSFV-NSHDSACASA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ncccc1C(F)(F)F ZINC001028243366 1340504917 /nfs/dbraw/zinc/50/49/17/1340504917.db2.gz OPFUFXSGPQLSFV-NSHDSACASA-N 1 2 347.768 3.047 20 30 EGEDLO C[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029197744 1340952940 /nfs/dbraw/zinc/95/29/40/1340952940.db2.gz FBUPAMHOJAOUEV-OAOYMFHYSA-N 1 2 342.870 3.023 20 30 EGEDLO C[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029197744 1340952944 /nfs/dbraw/zinc/95/29/44/1340952944.db2.gz FBUPAMHOJAOUEV-OAOYMFHYSA-N 1 2 342.870 3.023 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1oc(CC)nc1C ZINC001029454169 1340993707 /nfs/dbraw/zinc/99/37/07/1340993707.db2.gz TZHLYWWXKHSVRH-GQIGUUNPSA-N 1 2 345.487 3.323 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1oc(CC)nc1C ZINC001029454169 1340993709 /nfs/dbraw/zinc/99/37/09/1340993709.db2.gz TZHLYWWXKHSVRH-GQIGUUNPSA-N 1 2 345.487 3.323 20 30 EGEDLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2C#N)CC=CC1 ZINC001029454704 1340994019 /nfs/dbraw/zinc/99/40/19/1340994019.db2.gz HPUXMGOFAKFXNK-KDURUIRLSA-N 1 2 335.451 3.090 20 30 EGEDLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2C#N)CC=CC1 ZINC001029454704 1340994020 /nfs/dbraw/zinc/99/40/20/1340994020.db2.gz HPUXMGOFAKFXNK-KDURUIRLSA-N 1 2 335.451 3.090 20 30 EGEDLO O=C(N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1)[C@]12C[C@H]1CCCC2 ZINC001029465299 1340996563 /nfs/dbraw/zinc/99/65/63/1340996563.db2.gz NVDVLDSIWRXZMF-CUDBPUKSSA-N 1 2 348.490 3.294 20 30 EGEDLO O=C(N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1)[C@]12C[C@H]1CCCC2 ZINC001029465299 1340996564 /nfs/dbraw/zinc/99/65/64/1340996564.db2.gz NVDVLDSIWRXZMF-CUDBPUKSSA-N 1 2 348.490 3.294 20 30 EGEDLO CC[C@]1(C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001029537941 1341008072 /nfs/dbraw/zinc/00/80/72/1341008072.db2.gz RKEQUMOGBHLRDC-YOUFYPILSA-N 1 2 337.467 3.170 20 30 EGEDLO CC[C@]1(C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001029537941 1341008073 /nfs/dbraw/zinc/00/80/73/1341008073.db2.gz RKEQUMOGBHLRDC-YOUFYPILSA-N 1 2 337.467 3.170 20 30 EGEDLO CC[C@@]1(C(C)C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001032085270 1341450547 /nfs/dbraw/zinc/45/05/47/1341450547.db2.gz ACGIUBYQAVWQHO-FPOVZHCZSA-N 1 2 339.483 3.179 20 30 EGEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC2=CCCCC2)s1 ZINC001032315954 1341494313 /nfs/dbraw/zinc/49/43/13/1341494313.db2.gz CXBVCXBNSHTPFZ-HOTGVXAUSA-N 1 2 341.480 3.295 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC2=CCCCC2)s1 ZINC001032315954 1341494314 /nfs/dbraw/zinc/49/43/14/1341494314.db2.gz CXBVCXBNSHTPFZ-HOTGVXAUSA-N 1 2 341.480 3.295 20 30 EGEDLO Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)cc1F ZINC001032507157 1341525688 /nfs/dbraw/zinc/52/56/88/1341525688.db2.gz WTYNBUIQACINRB-OALUTQOASA-N 1 2 349.409 3.105 20 30 EGEDLO Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)cc1F ZINC001032507157 1341525689 /nfs/dbraw/zinc/52/56/89/1341525689.db2.gz WTYNBUIQACINRB-OALUTQOASA-N 1 2 349.409 3.105 20 30 EGEDLO Cc1ccc([C@@H](C)C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)o1 ZINC001032670056 1341576828 /nfs/dbraw/zinc/57/68/28/1341576828.db2.gz KCLMSRGJQFKUFI-MNEFBYGVSA-N 1 2 349.434 3.049 20 30 EGEDLO Cc1ccc([C@@H](C)C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)o1 ZINC001032670056 1341576831 /nfs/dbraw/zinc/57/68/31/1341576831.db2.gz KCLMSRGJQFKUFI-MNEFBYGVSA-N 1 2 349.434 3.049 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)CC2CCCC2)C1 ZINC001032877347 1341647359 /nfs/dbraw/zinc/64/73/59/1341647359.db2.gz PRTICFXSJBDMRP-CQSZACIVSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)CC2CCCC2)C1 ZINC001032877347 1341647360 /nfs/dbraw/zinc/64/73/60/1341647360.db2.gz PRTICFXSJBDMRP-CQSZACIVSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc([C@@H]3CCOC3)c2)C1 ZINC001033214698 1341754885 /nfs/dbraw/zinc/75/48/85/1341754885.db2.gz PSANYDBPLIWPQE-QZTJIDSGSA-N 1 2 348.874 3.089 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc([C@@H]3CCOC3)c2)C1 ZINC001033214698 1341754886 /nfs/dbraw/zinc/75/48/86/1341754886.db2.gz PSANYDBPLIWPQE-QZTJIDSGSA-N 1 2 348.874 3.089 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2cccc(C)c2Cl)C1 ZINC001033262381 1341762409 /nfs/dbraw/zinc/76/24/09/1341762409.db2.gz PHBUQNJRHOXDQL-HNNXBMFYSA-N 1 2 341.282 3.476 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2cccc(C)c2Cl)C1 ZINC001033262381 1341762410 /nfs/dbraw/zinc/76/24/10/1341762410.db2.gz PHBUQNJRHOXDQL-HNNXBMFYSA-N 1 2 341.282 3.476 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001033343987 1341788938 /nfs/dbraw/zinc/78/89/38/1341788938.db2.gz OQMCFBOWZVBWRL-IUODEOHRSA-N 1 2 334.847 3.081 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001033343987 1341788940 /nfs/dbraw/zinc/78/89/40/1341788940.db2.gz OQMCFBOWZVBWRL-IUODEOHRSA-N 1 2 334.847 3.081 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001033343993 1341788970 /nfs/dbraw/zinc/78/89/70/1341788970.db2.gz OQMCFBOWZVBWRL-WFASDCNBSA-N 1 2 334.847 3.081 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001033343993 1341788972 /nfs/dbraw/zinc/78/89/72/1341788972.db2.gz OQMCFBOWZVBWRL-WFASDCNBSA-N 1 2 334.847 3.081 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccnc(Cl)c3)C2)C1 ZINC001033398646 1341813375 /nfs/dbraw/zinc/81/33/75/1341813375.db2.gz JZOILYBKUMWFDK-HNNXBMFYSA-N 1 2 333.863 3.124 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccnc(Cl)c3)C2)C1 ZINC001033398646 1341813377 /nfs/dbraw/zinc/81/33/77/1341813377.db2.gz JZOILYBKUMWFDK-HNNXBMFYSA-N 1 2 333.863 3.124 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2(c3cccc(OC)c3)CC2)C1 ZINC001033464380 1341836332 /nfs/dbraw/zinc/83/63/32/1341836332.db2.gz YBSGPFUHDQAXAW-MRXNPFEDSA-N 1 2 348.874 3.012 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(c3cccc(OC)c3)CC2)C1 ZINC001033464380 1341836334 /nfs/dbraw/zinc/83/63/34/1341836334.db2.gz YBSGPFUHDQAXAW-MRXNPFEDSA-N 1 2 348.874 3.012 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnn([C@@H](C)CC)c2C)C1 ZINC001033568836 1341877238 /nfs/dbraw/zinc/87/72/38/1341877238.db2.gz NRKLRHCAXYJQHH-ZFWWWQNUSA-N 1 2 338.883 3.061 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnn([C@@H](C)CC)c2C)C1 ZINC001033568836 1341877241 /nfs/dbraw/zinc/87/72/41/1341877241.db2.gz NRKLRHCAXYJQHH-ZFWWWQNUSA-N 1 2 338.883 3.061 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2coc(-c3ccccc3)n2)C1 ZINC001033587968 1341885446 /nfs/dbraw/zinc/88/54/46/1341885446.db2.gz GQFQRQJAKQOMQR-OAHLLOKOSA-N 1 2 345.830 3.240 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2coc(-c3ccccc3)n2)C1 ZINC001033587968 1341885447 /nfs/dbraw/zinc/88/54/47/1341885447.db2.gz GQFQRQJAKQOMQR-OAHLLOKOSA-N 1 2 345.830 3.240 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(C)nc3ccccc32)C1 ZINC001033635595 1341918092 /nfs/dbraw/zinc/91/80/92/1341918092.db2.gz LOIMBUCRGWNLQD-HNNXBMFYSA-N 1 2 343.858 3.442 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)nc3ccccc32)C1 ZINC001033635595 1341918093 /nfs/dbraw/zinc/91/80/93/1341918093.db2.gz LOIMBUCRGWNLQD-HNNXBMFYSA-N 1 2 343.858 3.442 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cccc(COC)c2)C1 ZINC001033887883 1342061187 /nfs/dbraw/zinc/06/11/87/1342061187.db2.gz MOLYKLFRLDFUCS-KRWDZBQOSA-N 1 2 336.863 3.122 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(COC)c2)C1 ZINC001033887883 1342061194 /nfs/dbraw/zinc/06/11/94/1342061194.db2.gz MOLYKLFRLDFUCS-KRWDZBQOSA-N 1 2 336.863 3.122 20 30 EGEDLO CCN(C(=O)[C@@H]1C[C@H]1C)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033930516 1342094492 /nfs/dbraw/zinc/09/44/92/1342094492.db2.gz XJFJWZKQZQKFNA-KBAYOESNSA-N 1 2 344.886 3.270 20 30 EGEDLO CCN(C(=O)[C@@H]1C[C@H]1C)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033930516 1342094494 /nfs/dbraw/zinc/09/44/94/1342094494.db2.gz XJFJWZKQZQKFNA-KBAYOESNSA-N 1 2 344.886 3.270 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)C2Cc3ccccc3C2)C1 ZINC001033964939 1342116693 /nfs/dbraw/zinc/11/66/93/1342116693.db2.gz OCRHJCYVFNMLAR-SFHVURJKSA-N 1 2 332.875 3.077 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)C2Cc3ccccc3C2)C1 ZINC001033964939 1342116697 /nfs/dbraw/zinc/11/66/97/1342116697.db2.gz OCRHJCYVFNMLAR-SFHVURJKSA-N 1 2 332.875 3.077 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cccc3oc(C)nc32)C1 ZINC001034051551 1342193664 /nfs/dbraw/zinc/19/36/64/1342193664.db2.gz YCFGYJBRKWWWIB-AWEZNQCLSA-N 1 2 347.846 3.425 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc3oc(C)nc32)C1 ZINC001034051551 1342193666 /nfs/dbraw/zinc/19/36/66/1342193666.db2.gz YCFGYJBRKWWWIB-AWEZNQCLSA-N 1 2 347.846 3.425 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@@H+]([C@H](C)c3nnc(C)s3)C2)C1 ZINC001034388011 1342457863 /nfs/dbraw/zinc/45/78/63/1342457863.db2.gz AROMEWIRDSTESL-UKRRQHHQSA-N 1 2 348.516 3.235 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@H+]([C@H](C)c3nnc(C)s3)C2)C1 ZINC001034388011 1342457865 /nfs/dbraw/zinc/45/78/65/1342457865.db2.gz AROMEWIRDSTESL-UKRRQHHQSA-N 1 2 348.516 3.235 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@@H+]([C@H](C)c3nnc(CC)o3)C2)C1 ZINC001034389573 1342458860 /nfs/dbraw/zinc/45/88/60/1342458860.db2.gz RTWPRXSOMFWHSJ-HUUCEWRRSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@H+]([C@H](C)c3nnc(CC)o3)C2)C1 ZINC001034389573 1342458863 /nfs/dbraw/zinc/45/88/63/1342458863.db2.gz RTWPRXSOMFWHSJ-HUUCEWRRSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2csc(Cl)n2)C1 ZINC001034475424 1342530131 /nfs/dbraw/zinc/53/01/31/1342530131.db2.gz YLPJUHQNTOSXPY-SNVBAGLBSA-N 1 2 334.272 3.133 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2csc(Cl)n2)C1 ZINC001034475424 1342530137 /nfs/dbraw/zinc/53/01/37/1342530137.db2.gz YLPJUHQNTOSXPY-SNVBAGLBSA-N 1 2 334.272 3.133 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC001034476360 1342532203 /nfs/dbraw/zinc/53/22/03/1342532203.db2.gz CJFCQGFTVQCWRA-AWEZNQCLSA-N 1 2 338.883 3.178 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC001034476360 1342532205 /nfs/dbraw/zinc/53/22/05/1342532205.db2.gz CJFCQGFTVQCWRA-AWEZNQCLSA-N 1 2 338.883 3.178 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001034476360 1342532208 /nfs/dbraw/zinc/53/22/08/1342532208.db2.gz CJFCQGFTVQCWRA-AWEZNQCLSA-N 1 2 338.883 3.178 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001034476360 1342532211 /nfs/dbraw/zinc/53/22/11/1342532211.db2.gz CJFCQGFTVQCWRA-AWEZNQCLSA-N 1 2 338.883 3.178 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(Cl)cn2)C1 ZINC001034494143 1342550005 /nfs/dbraw/zinc/55/00/05/1342550005.db2.gz ASVFVKLHRQFIKF-ZDUSSCGKSA-N 1 2 328.243 3.072 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(Cl)cn2)C1 ZINC001034494143 1342550001 /nfs/dbraw/zinc/55/00/01/1342550001.db2.gz ASVFVKLHRQFIKF-ZDUSSCGKSA-N 1 2 328.243 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2c(F)cccc2F)C1 ZINC001034500301 1342557674 /nfs/dbraw/zinc/55/76/74/1342557674.db2.gz JRKXTCVDAHTKRG-LBPRGKRZSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2c(F)cccc2F)C1 ZINC001034500301 1342557676 /nfs/dbraw/zinc/55/76/76/1342557676.db2.gz JRKXTCVDAHTKRG-LBPRGKRZSA-N 1 2 328.790 3.302 20 30 EGEDLO C[C@H](C#N)C(=O)N1CCC2(C[NH+]([C@@H](C)c3c(F)cccc3F)C2)CC1 ZINC001035669623 1343129835 /nfs/dbraw/zinc/12/98/35/1343129835.db2.gz UDEKJJPHKXGSAB-KGLIPLIRSA-N 1 2 347.409 3.110 20 30 EGEDLO C[C@@H](C#N)C(=O)N1CCC2(C[NH+](Cc3cccc(Cl)c3F)C2)CC1 ZINC001035673873 1343131854 /nfs/dbraw/zinc/13/18/54/1343131854.db2.gz QKVPSDTUGZFYJI-ZDUSSCGKSA-N 1 2 349.837 3.063 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3C[C@@H]3CC1)CC2 ZINC001035754854 1343172002 /nfs/dbraw/zinc/17/20/02/1343172002.db2.gz FILQNXGRNMFBIZ-BJWYYQGGSA-N 1 2 336.907 3.490 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1nccc3occc31)CC2 ZINC001035756303 1343172372 /nfs/dbraw/zinc/17/23/72/1343172372.db2.gz KEKWOXGYVBODBU-UHFFFAOYSA-N 1 2 345.830 3.118 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cc[nH]c1C(C)C)CC2 ZINC001035771272 1343182493 /nfs/dbraw/zinc/18/24/93/1343182493.db2.gz AKHMRZBPAGZCDU-UHFFFAOYSA-N 1 2 335.879 3.429 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC2(C[NH+]([C@H](C)c3ncccn3)C2)CC1 ZINC001035785724 1343196478 /nfs/dbraw/zinc/19/64/78/1343196478.db2.gz XCJBFBWAOSHPOT-VQIMIIECSA-N 1 2 342.487 3.064 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1sc(C)nc1C)CC2 ZINC001035850274 1343229720 /nfs/dbraw/zinc/22/97/20/1343229720.db2.gz VZXDYCLLOMCVPY-UHFFFAOYSA-N 1 2 339.892 3.050 20 30 EGEDLO CC(C)c1cccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)n1 ZINC001038473491 1344440409 /nfs/dbraw/zinc/44/04/09/1344440409.db2.gz NZBSZUWUFHPZOU-SFHVURJKSA-N 1 2 348.450 3.081 20 30 EGEDLO CC(C)c1cccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)n1 ZINC001038473491 1344440411 /nfs/dbraw/zinc/44/04/11/1344440411.db2.gz NZBSZUWUFHPZOU-SFHVURJKSA-N 1 2 348.450 3.081 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(Cl)cc2)cc1 ZINC001038582598 1344493041 /nfs/dbraw/zinc/49/30/41/1344493041.db2.gz QFYFJOFMVHWPRZ-IBGZPJMESA-N 1 2 338.838 3.326 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(Cl)cc2)cc1 ZINC001038582598 1344493044 /nfs/dbraw/zinc/49/30/44/1344493044.db2.gz QFYFJOFMVHWPRZ-IBGZPJMESA-N 1 2 338.838 3.326 20 30 EGEDLO CC1(C)CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001038602932 1344498527 /nfs/dbraw/zinc/49/85/27/1344498527.db2.gz FYECAPFIAQPVOT-XJKSGUPXSA-N 1 2 331.485 3.137 20 30 EGEDLO CC1(C)CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001038602932 1344498530 /nfs/dbraw/zinc/49/85/30/1344498530.db2.gz FYECAPFIAQPVOT-XJKSGUPXSA-N 1 2 331.485 3.137 20 30 EGEDLO CCc1ccccc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001038647907 1344521801 /nfs/dbraw/zinc/52/18/01/1344521801.db2.gz YOJWXQNQQVMSOG-HNNXBMFYSA-N 1 2 339.464 3.186 20 30 EGEDLO CCc1ccccc1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001038647907 1344521803 /nfs/dbraw/zinc/52/18/03/1344521803.db2.gz YOJWXQNQQVMSOG-HNNXBMFYSA-N 1 2 339.464 3.186 20 30 EGEDLO CC1(C)CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)c(F)c2)C1 ZINC001038674995 1344537386 /nfs/dbraw/zinc/53/73/86/1344537386.db2.gz VCPOIVMWAAENSO-DOTOQJQBSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)c(F)c2)C1 ZINC001038674995 1344537389 /nfs/dbraw/zinc/53/73/89/1344537389.db2.gz VCPOIVMWAAENSO-DOTOQJQBSA-N 1 2 343.446 3.214 20 30 EGEDLO CCCc1occc1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001038913366 1344649180 /nfs/dbraw/zinc/64/91/80/1344649180.db2.gz MHTIUUSLBCFAOO-QGZVFWFLSA-N 1 2 337.423 3.108 20 30 EGEDLO CCCc1occc1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001038913366 1344649183 /nfs/dbraw/zinc/64/91/83/1344649183.db2.gz MHTIUUSLBCFAOO-QGZVFWFLSA-N 1 2 337.423 3.108 20 30 EGEDLO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)c(C)c1 ZINC001038982381 1344695290 /nfs/dbraw/zinc/69/52/90/1344695290.db2.gz MLWZQCQMAMRMGF-FQEVSTJZSA-N 1 2 332.447 3.159 20 30 EGEDLO Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2CC#Cc2ccccc2)c(C)c1 ZINC001038982381 1344695294 /nfs/dbraw/zinc/69/52/94/1344695294.db2.gz MLWZQCQMAMRMGF-FQEVSTJZSA-N 1 2 332.447 3.159 20 30 EGEDLO CC(C)c1occc1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001039068855 1344751950 /nfs/dbraw/zinc/75/19/50/1344751950.db2.gz WPFCELRDTFOSJT-QGZVFWFLSA-N 1 2 337.423 3.279 20 30 EGEDLO CC(C)c1occc1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001039068855 1344751951 /nfs/dbraw/zinc/75/19/51/1344751951.db2.gz WPFCELRDTFOSJT-QGZVFWFLSA-N 1 2 337.423 3.279 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)ccn1 ZINC001039379208 1345035498 /nfs/dbraw/zinc/03/54/98/1345035498.db2.gz FJFCCOXYLMYZJQ-CVEARBPZSA-N 1 2 333.863 3.075 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)ccn1 ZINC001039379208 1345035501 /nfs/dbraw/zinc/03/55/01/1345035501.db2.gz FJFCCOXYLMYZJQ-CVEARBPZSA-N 1 2 333.863 3.075 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001039425819 1345062778 /nfs/dbraw/zinc/06/27/78/1345062778.db2.gz YOWSZBNOFTWTRI-SOLBZPMBSA-N 1 2 348.849 3.283 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001039425819 1345062782 /nfs/dbraw/zinc/06/27/82/1345062782.db2.gz YOWSZBNOFTWTRI-SOLBZPMBSA-N 1 2 348.849 3.283 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)cc1 ZINC001039461980 1345080919 /nfs/dbraw/zinc/08/09/19/1345080919.db2.gz TZOVMSPRMRYCOY-CVEARBPZSA-N 1 2 334.847 3.127 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)cc1 ZINC001039461980 1345080924 /nfs/dbraw/zinc/08/09/24/1345080924.db2.gz TZOVMSPRMRYCOY-CVEARBPZSA-N 1 2 334.847 3.127 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc(OC)c1 ZINC001039466464 1345084306 /nfs/dbraw/zinc/08/43/06/1345084306.db2.gz MHVRZJGUGFEJMC-SJORKVTESA-N 1 2 348.874 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc(OC)c1 ZINC001039466464 1345084310 /nfs/dbraw/zinc/08/43/10/1345084310.db2.gz MHVRZJGUGFEJMC-SJORKVTESA-N 1 2 348.874 3.056 20 30 EGEDLO C=C[C@H](C(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@@H]1C)c1ccccc1 ZINC001040140369 1345349933 /nfs/dbraw/zinc/34/99/33/1345349933.db2.gz UOZWHVRQUFSFRR-WBAXXEDZSA-N 1 2 336.439 3.156 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@]2(CC[N@@H+]([C@@H](C)c3csnn3)C2)C1 ZINC001041536551 1345755076 /nfs/dbraw/zinc/75/50/76/1345755076.db2.gz PGGBJFNKNIBTFM-KSSFIOAISA-N 1 2 348.516 3.126 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@]2(CC[N@H+]([C@@H](C)c3csnn3)C2)C1 ZINC001041536551 1345755080 /nfs/dbraw/zinc/75/50/80/1345755080.db2.gz PGGBJFNKNIBTFM-KSSFIOAISA-N 1 2 348.516 3.126 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3c(C)noc3C3CC3)C[C@H]21 ZINC001042156120 1345958672 /nfs/dbraw/zinc/95/86/72/1345958672.db2.gz PZYIYIZJVWVICT-DZGCQCFKSA-N 1 2 349.862 3.149 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3c(C)noc3C3CC3)C[C@H]21 ZINC001042156120 1345958673 /nfs/dbraw/zinc/95/86/73/1345958673.db2.gz PZYIYIZJVWVICT-DZGCQCFKSA-N 1 2 349.862 3.149 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)C3(CC)CC3)C[C@@H]21 ZINC001042220756 1345992016 /nfs/dbraw/zinc/99/20/16/1345992016.db2.gz FEGNLBLRYFSSTQ-KGLIPLIRSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3(CC)CC3)C[C@@H]21 ZINC001042220756 1345992017 /nfs/dbraw/zinc/99/20/17/1345992017.db2.gz FEGNLBLRYFSSTQ-KGLIPLIRSA-N 1 2 341.293 3.008 20 30 EGEDLO C=CCOc1ccc(C(=O)N(C)C2C[NH+](Cc3ccccc3)C2)cc1 ZINC001043117270 1346142515 /nfs/dbraw/zinc/14/25/15/1346142515.db2.gz GNEDXVNGZTUPBP-UHFFFAOYSA-N 1 2 336.435 3.208 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](CCO[C@@H]3CCCC[C@@H]3C)C2)C1 ZINC001043794139 1346209966 /nfs/dbraw/zinc/20/99/66/1346209966.db2.gz FFCCZXPHEADNND-FUHWJXTLSA-N 1 2 334.504 3.081 20 30 EGEDLO C[C@]1(NC(=O)c2cccs2)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046115220 1346853474 /nfs/dbraw/zinc/85/34/74/1346853474.db2.gz GVOVENYHUSVEGC-IBGZPJMESA-N 1 2 342.439 3.133 20 30 EGEDLO C[C@]1(NC(=O)c2cccs2)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046115220 1346853477 /nfs/dbraw/zinc/85/34/77/1346853477.db2.gz GVOVENYHUSVEGC-IBGZPJMESA-N 1 2 342.439 3.133 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc3ccccc3n2C)C1 ZINC001046587018 1347027373 /nfs/dbraw/zinc/02/73/73/1347027373.db2.gz XKWKWBUGQOGCQP-GOSISDBHSA-N 1 2 331.847 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc3ccccc3n2C)C1 ZINC001046587018 1347027377 /nfs/dbraw/zinc/02/73/77/1347027377.db2.gz XKWKWBUGQOGCQP-GOSISDBHSA-N 1 2 331.847 3.125 20 30 EGEDLO C=C1CCC(C(=O)N[C@]2(C)CC[N@@H+](Cc3ncc(CC)o3)C2)CC1 ZINC001046594681 1347030923 /nfs/dbraw/zinc/03/09/23/1347030923.db2.gz NDDPJFFBHRVKDX-LJQANCHMSA-N 1 2 331.460 3.064 20 30 EGEDLO C=C1CCC(C(=O)N[C@]2(C)CC[N@H+](Cc3ncc(CC)o3)C2)CC1 ZINC001046594681 1347030925 /nfs/dbraw/zinc/03/09/25/1347030925.db2.gz NDDPJFFBHRVKDX-LJQANCHMSA-N 1 2 331.460 3.064 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001046645742 1347047304 /nfs/dbraw/zinc/04/73/04/1347047304.db2.gz GFPSCFNKYNQUKD-OAHLLOKOSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001046645742 1347047305 /nfs/dbraw/zinc/04/73/05/1347047305.db2.gz GFPSCFNKYNQUKD-OAHLLOKOSA-N 1 2 331.218 3.426 20 30 EGEDLO C[C@@]1(NC(=O)[C@@H]2CC23CC3)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001046658477 1347053145 /nfs/dbraw/zinc/05/31/45/1347053145.db2.gz ZWIOANARIUKQTR-QFBILLFUSA-N 1 2 342.870 3.072 20 30 EGEDLO C[C@@]1(NC(=O)[C@@H]2CC23CC3)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001046658477 1347053147 /nfs/dbraw/zinc/05/31/47/1347053147.db2.gz ZWIOANARIUKQTR-QFBILLFUSA-N 1 2 342.870 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(C)c(OCC)c2)C1 ZINC001046670064 1347057261 /nfs/dbraw/zinc/05/72/61/1347057261.db2.gz BETFHDNJWQPZIE-SFHVURJKSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C)c(OCC)c2)C1 ZINC001046670064 1347057263 /nfs/dbraw/zinc/05/72/63/1347057263.db2.gz BETFHDNJWQPZIE-SFHVURJKSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001046688203 1347062608 /nfs/dbraw/zinc/06/26/08/1347062608.db2.gz OFACKHQQRWNWBL-YQVWRLOYSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001046688203 1347062610 /nfs/dbraw/zinc/06/26/10/1347062610.db2.gz OFACKHQQRWNWBL-YQVWRLOYSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnn([C@H](C)CC)c2C)C1 ZINC001046763071 1347089645 /nfs/dbraw/zinc/08/96/45/1347089645.db2.gz MJPZTLGEYULEJJ-CXAGYDPISA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnn([C@H](C)CC)c2C)C1 ZINC001046763071 1347089647 /nfs/dbraw/zinc/08/96/47/1347089647.db2.gz MJPZTLGEYULEJJ-CXAGYDPISA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cccc3c2OCC3(C)C)C1 ZINC001046881773 1347142723 /nfs/dbraw/zinc/14/27/23/1347142723.db2.gz VERPKLLCYGIEIR-IBGZPJMESA-N 1 2 348.874 3.303 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cccc3c2OCC3(C)C)C1 ZINC001046881773 1347142724 /nfs/dbraw/zinc/14/27/24/1347142724.db2.gz VERPKLLCYGIEIR-IBGZPJMESA-N 1 2 348.874 3.303 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001046963950 1347168346 /nfs/dbraw/zinc/16/83/46/1347168346.db2.gz KIJKNEDAFKULFS-QWHCGFSZSA-N 1 2 334.838 3.249 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001046963950 1347168349 /nfs/dbraw/zinc/16/83/49/1347168349.db2.gz KIJKNEDAFKULFS-QWHCGFSZSA-N 1 2 334.838 3.249 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)CC ZINC001049343365 1347798521 /nfs/dbraw/zinc/79/85/21/1347798521.db2.gz JVRFHBJBQUXUKP-KWCYVHTRSA-N 1 2 329.282 3.006 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)CC ZINC001049343365 1347798522 /nfs/dbraw/zinc/79/85/22/1347798522.db2.gz JVRFHBJBQUXUKP-KWCYVHTRSA-N 1 2 329.282 3.006 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1sccc1F ZINC001049447458 1347853614 /nfs/dbraw/zinc/85/36/14/1347853614.db2.gz NXUYYFYQWIQANK-OLZOCXBDSA-N 1 2 328.840 3.319 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1sccc1F ZINC001049447458 1347853616 /nfs/dbraw/zinc/85/36/16/1347853616.db2.gz NXUYYFYQWIQANK-OLZOCXBDSA-N 1 2 328.840 3.319 20 30 EGEDLO CC[C@H](F)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001049642390 1347950245 /nfs/dbraw/zinc/95/02/45/1347950245.db2.gz WKTXVHAUHBPOCY-OKZBNKHCSA-N 1 2 347.409 3.011 20 30 EGEDLO CC[C@H](F)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001049642390 1347950247 /nfs/dbraw/zinc/95/02/47/1347950247.db2.gz WKTXVHAUHBPOCY-OKZBNKHCSA-N 1 2 347.409 3.011 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1nc(C2CC2)oc1C ZINC001049829351 1348044099 /nfs/dbraw/zinc/04/40/99/1348044099.db2.gz SPKZGWUCWFFUIC-LSDHHAIUSA-N 1 2 349.862 3.292 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1nc(C2CC2)oc1C ZINC001049829351 1348044100 /nfs/dbraw/zinc/04/41/00/1348044100.db2.gz SPKZGWUCWFFUIC-LSDHHAIUSA-N 1 2 349.862 3.292 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCCCC[C@H](Nc3cc[nH+]c(C)n3)C2)C1 ZINC001049962292 1348135028 /nfs/dbraw/zinc/13/50/28/1348135028.db2.gz KCMQIGWMNBYERB-INIZCTEOSA-N 1 2 328.460 3.324 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1c(C)csc1Cl ZINC001051226856 1348406102 /nfs/dbraw/zinc/40/61/02/1348406102.db2.gz SFKSGVNCGAHLCR-CYBMUJFWSA-N 1 2 342.892 3.107 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1c(C)csc1Cl ZINC001051226856 1348406103 /nfs/dbraw/zinc/40/61/03/1348406103.db2.gz SFKSGVNCGAHLCR-CYBMUJFWSA-N 1 2 342.892 3.107 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)c3cc(C)on3)cccc2C1 ZINC001051278279 1348415132 /nfs/dbraw/zinc/41/51/32/1348415132.db2.gz MHVZDCMBIAWUDG-UHFFFAOYSA-N 1 2 345.830 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)c3cc(C)on3)cccc2C1 ZINC001051278279 1348415133 /nfs/dbraw/zinc/41/51/33/1348415133.db2.gz MHVZDCMBIAWUDG-UHFFFAOYSA-N 1 2 345.830 3.024 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc([C@@H](C)CC)cc1)CCO2 ZINC001053541873 1349058262 /nfs/dbraw/zinc/05/82/62/1349058262.db2.gz BRTJZWYSJYTCTO-KRWDZBQOSA-N 1 2 342.483 3.303 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(C)c(Cl)c1)O2 ZINC001053657891 1349088407 /nfs/dbraw/zinc/08/84/07/1349088407.db2.gz MORFAJVPVOTRRU-MRXNPFEDSA-N 1 2 348.874 3.188 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1CCCCC1(C)C)CO2 ZINC001054023989 1349131517 /nfs/dbraw/zinc/13/15/17/1349131517.db2.gz FRWAWMDIMMXCFR-IRXDYDNUSA-N 1 2 334.504 3.129 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc4ccc(C)cc4[nH]3)cc2C1 ZINC001054276033 1349276026 /nfs/dbraw/zinc/27/60/26/1349276026.db2.gz KMANTKMDZWJWHZ-UHFFFAOYSA-N 1 2 343.430 3.355 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc4ccc(C)cc4[nH]3)cc2C1 ZINC001054276033 1349276029 /nfs/dbraw/zinc/27/60/29/1349276029.db2.gz KMANTKMDZWJWHZ-UHFFFAOYSA-N 1 2 343.430 3.355 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc(C)c(OCC)c3)cc2C1 ZINC001054284254 1349285926 /nfs/dbraw/zinc/28/59/26/1349285926.db2.gz KXAUWWYJTXZDEM-UHFFFAOYSA-N 1 2 348.446 3.273 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc(C)c(OCC)c3)cc2C1 ZINC001054284254 1349285927 /nfs/dbraw/zinc/28/59/27/1349285927.db2.gz KXAUWWYJTXZDEM-UHFFFAOYSA-N 1 2 348.446 3.273 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)C34CC(C(C)(C)C)(C3)C4)cc2C1 ZINC001054292968 1349299173 /nfs/dbraw/zinc/29/91/73/1349299173.db2.gz FSWBONTUMPOWMH-UHFFFAOYSA-N 1 2 336.479 3.468 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)C34CC(C(C)(C)C)(C3)C4)cc2C1 ZINC001054292968 1349299181 /nfs/dbraw/zinc/29/91/81/1349299181.db2.gz FSWBONTUMPOWMH-UHFFFAOYSA-N 1 2 336.479 3.468 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(Cl)ccc2F)C1 ZINC001080079282 1357478530 /nfs/dbraw/zinc/47/85/30/1357478530.db2.gz BLTCQZIZFGKUMR-YMTOWFKASA-N 1 2 331.218 3.282 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(Cl)ccc2F)C1 ZINC001080079282 1357478531 /nfs/dbraw/zinc/47/85/31/1357478531.db2.gz BLTCQZIZFGKUMR-YMTOWFKASA-N 1 2 331.218 3.282 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC(Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001057399573 1350032284 /nfs/dbraw/zinc/03/22/84/1350032284.db2.gz BSUDUQBAFQJORB-UHFFFAOYSA-N 1 2 328.460 3.278 20 30 EGEDLO COc1ccc(C[N@@H+]2CCC[C@@H](C#N)CC2)c(Br)c1O ZINC001233205222 1376585252 /nfs/dbraw/zinc/58/52/52/1376585252.db2.gz NALZYBJAFNPQGC-LLVKDONJSA-N 1 2 339.233 3.289 20 30 EGEDLO COc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)c(Br)c1O ZINC001233205222 1376585257 /nfs/dbraw/zinc/58/52/57/1376585257.db2.gz NALZYBJAFNPQGC-LLVKDONJSA-N 1 2 339.233 3.289 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]c(CC)n1 ZINC001062022419 1351427401 /nfs/dbraw/zinc/42/74/01/1351427401.db2.gz QRIQPNDCKNESEK-YRNRMSPPSA-N 1 2 342.487 3.129 20 30 EGEDLO Cc1cc(N[C@H]2CCN(C(=O)C#CC3CC3)[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC001064769070 1352688682 /nfs/dbraw/zinc/68/86/82/1352688682.db2.gz LAVFDRWCLUKSTO-WBVHZDCISA-N 1 2 340.471 3.113 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nc(C)[nH+]c(C)c1C ZINC001065160213 1352746586 /nfs/dbraw/zinc/74/65/86/1352746586.db2.gz JGSHPYXTIQIOMI-SJORKVTESA-N 1 2 342.487 3.184 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CCN2c1nc(C)[nH+]c(C)c1C ZINC001066171694 1352992424 /nfs/dbraw/zinc/99/24/24/1352992424.db2.gz HJWUAIIEKVABCJ-IAGOWNOFSA-N 1 2 342.487 3.184 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H](CCNc3cc[nH+]c(C)n3)C2)CC1 ZINC001066372836 1353071843 /nfs/dbraw/zinc/07/18/43/1353071843.db2.gz XIXCYKTXXHFFBF-INIZCTEOSA-N 1 2 328.460 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C(CC)CC)no2)C1 ZINC001080576353 1357682826 /nfs/dbraw/zinc/68/28/26/1357682826.db2.gz ITBFIEXHVUJWDL-IAQYHMDHSA-N 1 2 339.867 3.381 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C(CC)CC)no2)C1 ZINC001080576353 1357682830 /nfs/dbraw/zinc/68/28/30/1357682830.db2.gz ITBFIEXHVUJWDL-IAQYHMDHSA-N 1 2 339.867 3.381 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]2CC1 ZINC001067458763 1353404208 /nfs/dbraw/zinc/40/42/08/1353404208.db2.gz QIZQOXRANSGXGL-QKLQHJQFSA-N 1 2 342.487 3.062 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2CC(Nc3cc(C)[nH+]c(C4CC4)n3)C2)C1 ZINC001069793341 1354272835 /nfs/dbraw/zinc/27/28/35/1354272835.db2.gz PLYLYFNRETUMNX-UHFFFAOYSA-N 1 2 340.471 3.420 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CCC1CCC1)C[C@H](C)O2 ZINC001071154289 1354479692 /nfs/dbraw/zinc/47/96/92/1354479692.db2.gz HJODYRCRGPLHJB-MAUKXSAKSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCC1CCC1)C[C@H](C)O2 ZINC001071154289 1354479693 /nfs/dbraw/zinc/47/96/93/1354479693.db2.gz HJODYRCRGPLHJB-MAUKXSAKSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)C1(C)CCCC1)C[C@H](C)O2 ZINC001071194598 1354496777 /nfs/dbraw/zinc/49/67/77/1354496777.db2.gz LKYMNOUICLUSSM-MAUKXSAKSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1(C)CCCC1)C[C@H](C)O2 ZINC001071194598 1354496781 /nfs/dbraw/zinc/49/67/81/1354496781.db2.gz LKYMNOUICLUSSM-MAUKXSAKSA-N 1 2 340.895 3.011 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C2CC2)C[N@@H+]1CC#Cc1ccccc1Cl ZINC001071296944 1354549983 /nfs/dbraw/zinc/54/99/83/1354549983.db2.gz ORMDGUSPQUTDKQ-WMLDXEAASA-N 1 2 330.859 3.071 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C2CC2)C[N@H+]1CC#Cc1ccccc1Cl ZINC001071296944 1354549988 /nfs/dbraw/zinc/54/99/88/1354549988.db2.gz ORMDGUSPQUTDKQ-WMLDXEAASA-N 1 2 330.859 3.071 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)c2ccco2)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC001071312328 1354570527 /nfs/dbraw/zinc/57/05/27/1354570527.db2.gz JJQJGNVHDAPZRQ-CJNGLKHVSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)c2ccco2)C[N@H+]1Cc1ccc(C#N)cc1F ZINC001071312328 1354570532 /nfs/dbraw/zinc/57/05/32/1354570532.db2.gz JJQJGNVHDAPZRQ-CJNGLKHVSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)c2ccco2)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC001071312614 1354572532 /nfs/dbraw/zinc/57/25/32/1354572532.db2.gz MVNSXCGLCVHQIH-XJKSGUPXSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)c2ccco2)C[N@H+]1Cc1cc(C#N)ccc1F ZINC001071312614 1354572534 /nfs/dbraw/zinc/57/25/34/1354572534.db2.gz MVNSXCGLCVHQIH-XJKSGUPXSA-N 1 2 341.386 3.073 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)CC2CCCC2)CC[C@H]1C ZINC001071321055 1354585312 /nfs/dbraw/zinc/58/53/12/1354585312.db2.gz CGPSEXPETIKZCP-HIFRSBDPSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)CC2CCCC2)CC[C@H]1C ZINC001071321055 1354585316 /nfs/dbraw/zinc/58/53/16/1354585316.db2.gz CGPSEXPETIKZCP-HIFRSBDPSA-N 1 2 343.309 3.444 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3ccccc3C#N)C2)co1 ZINC001071461612 1354708022 /nfs/dbraw/zinc/70/80/22/1354708022.db2.gz VAUZSLKTAAEWIP-AUUYWEPGSA-N 1 2 337.423 3.243 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3ccccc3C#N)C2)co1 ZINC001071461612 1354708024 /nfs/dbraw/zinc/70/80/24/1354708024.db2.gz VAUZSLKTAAEWIP-AUUYWEPGSA-N 1 2 337.423 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc(C(F)F)nc2)CC[C@@H]1C ZINC001071550283 1354761268 /nfs/dbraw/zinc/76/12/68/1354761268.db2.gz ZTTUYGGLANHBSZ-AAEUAGOBSA-N 1 2 343.805 3.354 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C(F)F)nc2)CC[C@@H]1C ZINC001071550283 1354761274 /nfs/dbraw/zinc/76/12/74/1354761274.db2.gz ZTTUYGGLANHBSZ-AAEUAGOBSA-N 1 2 343.805 3.354 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cnoc2-c2ccco2)CC[C@@H]1C ZINC001071609810 1354794322 /nfs/dbraw/zinc/79/43/22/1354794322.db2.gz NVYJAVKHJRZNLL-QWHCGFSZSA-N 1 2 349.818 3.270 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cnoc2-c2ccco2)CC[C@@H]1C ZINC001071609810 1354794325 /nfs/dbraw/zinc/79/43/25/1354794325.db2.gz NVYJAVKHJRZNLL-QWHCGFSZSA-N 1 2 349.818 3.270 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)C2CC3(CC3)C2)CC[C@@H]1C ZINC001071803327 1354946003 /nfs/dbraw/zinc/94/60/03/1354946003.db2.gz KTZYVCPRXJWZMF-GXTWGEPZSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)C2CC3(CC3)C2)CC[C@@H]1C ZINC001071803327 1354946008 /nfs/dbraw/zinc/94/60/08/1354946008.db2.gz KTZYVCPRXJWZMF-GXTWGEPZSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2cccc(F)c2F)CC[C@@H]1C ZINC001071852027 1354980822 /nfs/dbraw/zinc/98/08/22/1354980822.db2.gz UHZHQYQBRMWICM-GXTWGEPZSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2cccc(F)c2F)CC[C@@H]1C ZINC001071852027 1354980830 /nfs/dbraw/zinc/98/08/30/1354980830.db2.gz UHZHQYQBRMWICM-GXTWGEPZSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)c(C)c2)CC[C@H]1C ZINC001071892386 1355010396 /nfs/dbraw/zinc/01/03/96/1355010396.db2.gz FNMZGQRWZNWSMY-ZBFHGGJFSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc(OC)c(C)c2)CC[C@H]1C ZINC001071892386 1355010400 /nfs/dbraw/zinc/01/04/00/1355010400.db2.gz FNMZGQRWZNWSMY-ZBFHGGJFSA-N 1 2 336.863 3.339 20 30 EGEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2sc(Cl)nc2Cl)CC[C@@H]1C ZINC001072076524 1355115313 /nfs/dbraw/zinc/11/53/13/1355115313.db2.gz QIAMGTPBUUTPKY-UWVGGRQHSA-N 1 2 346.283 3.056 20 30 EGEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2sc(Cl)nc2Cl)CC[C@@H]1C ZINC001072076524 1355115314 /nfs/dbraw/zinc/11/53/14/1355115314.db2.gz QIAMGTPBUUTPKY-UWVGGRQHSA-N 1 2 346.283 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)C(C)(C)C(C)C)C2)C1 ZINC001072776667 1355432739 /nfs/dbraw/zinc/43/27/39/1355432739.db2.gz DEANOCKXMBVOFD-UHFFFAOYSA-N 1 2 343.309 3.112 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)C(C)(C)C(C)C)C2)C1 ZINC001072776667 1355432741 /nfs/dbraw/zinc/43/27/41/1355432741.db2.gz DEANOCKXMBVOFD-UHFFFAOYSA-N 1 2 343.309 3.112 20 30 EGEDLO CC(C)[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001073028333 1355556299 /nfs/dbraw/zinc/55/62/99/1355556299.db2.gz JDLCLSCGIWHRGL-HNNXBMFYSA-N 1 2 343.446 3.024 20 30 EGEDLO CC(C)[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001073028333 1355556301 /nfs/dbraw/zinc/55/63/01/1355556301.db2.gz JDLCLSCGIWHRGL-HNNXBMFYSA-N 1 2 343.446 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C2CCCCCCC2)C1 ZINC001073687462 1355865387 /nfs/dbraw/zinc/86/53/87/1355865387.db2.gz RVAULMUAWDTOCT-QGZVFWFLSA-N 1 2 342.911 3.307 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C2CCCCCCC2)C1 ZINC001073687462 1355865388 /nfs/dbraw/zinc/86/53/88/1355865388.db2.gz RVAULMUAWDTOCT-QGZVFWFLSA-N 1 2 342.911 3.307 20 30 EGEDLO CCCc1nc(C[N@H+](C)C[C@H]2CCCCN2C(=O)[C@@H](C)C#N)cs1 ZINC001073973086 1356005136 /nfs/dbraw/zinc/00/51/36/1356005136.db2.gz PZYYGWLZDUJAIH-GOEBONIOSA-N 1 2 348.516 3.068 20 30 EGEDLO CCCc1nc(C[N@@H+](C)C[C@H]2CCCCN2C(=O)[C@@H](C)C#N)cs1 ZINC001073973086 1356005140 /nfs/dbraw/zinc/00/51/40/1356005140.db2.gz PZYYGWLZDUJAIH-GOEBONIOSA-N 1 2 348.516 3.068 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)C3CCCC3)C[C@@H]21 ZINC001074267026 1356149872 /nfs/dbraw/zinc/14/98/72/1356149872.db2.gz VVGFDCAMGWJFLF-ROUUACIJSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)C3CCCC3)C[C@@H]21 ZINC001074267026 1356149874 /nfs/dbraw/zinc/14/98/74/1356149874.db2.gz VVGFDCAMGWJFLF-ROUUACIJSA-N 1 2 334.504 3.081 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCC[N@@H+](Cc3ccc(C)cc3)[C@H]2C1 ZINC001074314602 1356164835 /nfs/dbraw/zinc/16/48/35/1356164835.db2.gz ILJXKKQRQCRQRA-RBUKOAKNSA-N 1 2 342.483 3.009 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCC[N@H+](Cc3ccc(C)cc3)[C@H]2C1 ZINC001074314602 1356164837 /nfs/dbraw/zinc/16/48/37/1356164837.db2.gz ILJXKKQRQCRQRA-RBUKOAKNSA-N 1 2 342.483 3.009 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCC[N@@H+](Cc3ccc(C)cc3)[C@@H]2C1 ZINC001074314600 1356165085 /nfs/dbraw/zinc/16/50/85/1356165085.db2.gz ILJXKKQRQCRQRA-MOPGFXCFSA-N 1 2 342.483 3.009 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCC[N@H+](Cc3ccc(C)cc3)[C@@H]2C1 ZINC001074314600 1356165086 /nfs/dbraw/zinc/16/50/86/1356165086.db2.gz ILJXKKQRQCRQRA-MOPGFXCFSA-N 1 2 342.483 3.009 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)cccc3Cl)C[C@H]21 ZINC001074329804 1356171635 /nfs/dbraw/zinc/17/16/35/1356171635.db2.gz QLRPPENACZABME-IAGOWNOFSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)cccc3Cl)C[C@H]21 ZINC001074329804 1356171637 /nfs/dbraw/zinc/17/16/37/1356171637.db2.gz QLRPPENACZABME-IAGOWNOFSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(Cl)ccc3C)C[C@@H]21 ZINC001074356168 1356181528 /nfs/dbraw/zinc/18/15/28/1356181528.db2.gz FOGVVVROHLSPRQ-ROUUACIJSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(Cl)ccc3C)C[C@@H]21 ZINC001074356168 1356181530 /nfs/dbraw/zinc/18/15/30/1356181530.db2.gz FOGVVVROHLSPRQ-ROUUACIJSA-N 1 2 348.874 3.140 20 30 EGEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3sccc3C3CC3)C[C@@H]21 ZINC001074398216 1356193394 /nfs/dbraw/zinc/19/33/94/1356193394.db2.gz UPZPWUGDZVOFNW-DLBZAZTESA-N 1 2 346.496 3.117 20 30 EGEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3sccc3C3CC3)C[C@@H]21 ZINC001074398216 1356193397 /nfs/dbraw/zinc/19/33/97/1356193397.db2.gz UPZPWUGDZVOFNW-DLBZAZTESA-N 1 2 346.496 3.117 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C3(CC)CCCCC3)C[C@@H]21 ZINC001074409937 1356195455 /nfs/dbraw/zinc/19/54/55/1356195455.db2.gz KBHDTTAOCBPYRN-ZWKOTPCHSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(CC)CCCCC3)C[C@@H]21 ZINC001074409937 1356195456 /nfs/dbraw/zinc/19/54/56/1356195456.db2.gz KBHDTTAOCBPYRN-ZWKOTPCHSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3sccc3Cl)[C@@H]2C1 ZINC001075822417 1356428606 /nfs/dbraw/zinc/42/86/06/1356428606.db2.gz QPRGQZHISHFLQS-CMPLNLGQSA-N 1 2 331.268 3.300 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3sccc3Cl)[C@@H]2C1 ZINC001075822417 1356428608 /nfs/dbraw/zinc/42/86/08/1356428608.db2.gz QPRGQZHISHFLQS-CMPLNLGQSA-N 1 2 331.268 3.300 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4cc(F)ccc4o3)[C@@H]2C1 ZINC001076310403 1356544853 /nfs/dbraw/zinc/54/48/53/1356544853.db2.gz DTCWEGJPXKQOKT-SWLSCSKDSA-N 1 2 348.805 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4cc(F)ccc4o3)[C@@H]2C1 ZINC001076310403 1356544855 /nfs/dbraw/zinc/54/48/55/1356544855.db2.gz DTCWEGJPXKQOKT-SWLSCSKDSA-N 1 2 348.805 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)n1c(C)ccc1C)C2 ZINC001098460645 1363332640 /nfs/dbraw/zinc/33/26/40/1363332640.db2.gz HTQFNDDYUFPARI-HZMVEIRTSA-N 1 2 335.879 3.140 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)n1c(C)ccc1C)C2 ZINC001098460645 1363332641 /nfs/dbraw/zinc/33/26/41/1363332641.db2.gz HTQFNDDYUFPARI-HZMVEIRTSA-N 1 2 335.879 3.140 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccccc4)[C@@H]3C2)c1 ZINC001084161194 1358148247 /nfs/dbraw/zinc/14/82/47/1358148247.db2.gz NBDUPLIEQAXIKZ-YLJYHZDGSA-N 1 2 349.409 3.044 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccccc4)[C@@H]3C2)c1 ZINC001084161194 1358148249 /nfs/dbraw/zinc/14/82/49/1358148249.db2.gz NBDUPLIEQAXIKZ-YLJYHZDGSA-N 1 2 349.409 3.044 20 30 EGEDLO Cc1cc(C)c(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)o1 ZINC001084262889 1358177219 /nfs/dbraw/zinc/17/72/19/1358177219.db2.gz MCGMXSQVVOIXOS-RTBURBONSA-N 1 2 349.434 3.115 20 30 EGEDLO Cc1cc(C)c(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)o1 ZINC001084262889 1358177222 /nfs/dbraw/zinc/17/72/22/1358177222.db2.gz MCGMXSQVVOIXOS-RTBURBONSA-N 1 2 349.434 3.115 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)[C@@H](C)CO4)[C@@H]2C1 ZINC001084598143 1358252109 /nfs/dbraw/zinc/25/21/09/1358252109.db2.gz MLXKGJCBJLLYKM-XGWLTEMNSA-N 1 2 346.858 3.081 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)[C@@H](C)CO4)[C@@H]2C1 ZINC001084598143 1358252113 /nfs/dbraw/zinc/25/21/13/1358252113.db2.gz MLXKGJCBJLLYKM-XGWLTEMNSA-N 1 2 346.858 3.081 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084635270 1358263290 /nfs/dbraw/zinc/26/32/90/1358263290.db2.gz UHXNPAWKYMOCMW-SBHAEUEKSA-N 1 2 337.467 3.193 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084635270 1358263296 /nfs/dbraw/zinc/26/32/96/1358263296.db2.gz UHXNPAWKYMOCMW-SBHAEUEKSA-N 1 2 337.467 3.193 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(Cl)c(F)c3)[C@@H]2C1 ZINC001084680293 1358277044 /nfs/dbraw/zinc/27/70/44/1358277044.db2.gz IUQKCPJUXAUOPW-IUODEOHRSA-N 1 2 343.229 3.378 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(Cl)c(F)c3)[C@@H]2C1 ZINC001084680293 1358277047 /nfs/dbraw/zinc/27/70/47/1358277047.db2.gz IUQKCPJUXAUOPW-IUODEOHRSA-N 1 2 343.229 3.378 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3coc4ccccc34)[C@@H]2C1 ZINC001084739851 1358297256 /nfs/dbraw/zinc/29/72/56/1358297256.db2.gz FKJZVEAMUZJBDW-RHSMWYFYSA-N 1 2 344.842 3.261 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3coc4ccccc34)[C@@H]2C1 ZINC001084739851 1358297261 /nfs/dbraw/zinc/29/72/61/1358297261.db2.gz FKJZVEAMUZJBDW-RHSMWYFYSA-N 1 2 344.842 3.261 20 30 EGEDLO CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084789903 1358310567 /nfs/dbraw/zinc/31/05/67/1358310567.db2.gz CSKFPDXJVBZWEZ-SJLPKXTDSA-N 1 2 344.886 3.270 20 30 EGEDLO CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001084789903 1358310569 /nfs/dbraw/zinc/31/05/69/1358310569.db2.gz CSKFPDXJVBZWEZ-SJLPKXTDSA-N 1 2 344.886 3.270 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(Cl)c3)[C@@H]2C1 ZINC001084791741 1358311755 /nfs/dbraw/zinc/31/17/55/1358311755.db2.gz RMBCOWQDOHUAQE-UKRRQHHQSA-N 1 2 325.239 3.239 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(Cl)c3)[C@@H]2C1 ZINC001084791741 1358311756 /nfs/dbraw/zinc/31/17/56/1358311756.db2.gz RMBCOWQDOHUAQE-UKRRQHHQSA-N 1 2 325.239 3.239 20 30 EGEDLO Cc1ccsc1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001085459624 1358513131 /nfs/dbraw/zinc/51/31/31/1358513131.db2.gz LYAREOQVTCDSTA-QGZVFWFLSA-N 1 2 339.464 3.275 20 30 EGEDLO Cc1ccsc1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001085459624 1358513136 /nfs/dbraw/zinc/51/31/36/1358513136.db2.gz LYAREOQVTCDSTA-QGZVFWFLSA-N 1 2 339.464 3.275 20 30 EGEDLO Cc1cc(C)c(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)o1 ZINC001085525809 1358563524 /nfs/dbraw/zinc/56/35/24/1358563524.db2.gz OVIVKZPICLNEQS-SFHVURJKSA-N 1 2 337.423 3.115 20 30 EGEDLO Cc1cc(C)c(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)o1 ZINC001085525809 1358563527 /nfs/dbraw/zinc/56/35/27/1358563527.db2.gz OVIVKZPICLNEQS-SFHVURJKSA-N 1 2 337.423 3.115 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001085532774 1358570197 /nfs/dbraw/zinc/57/01/97/1358570197.db2.gz VAVMDJJJTFSKDZ-VNTMZGSJSA-N 1 2 337.467 3.027 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001085532774 1358570206 /nfs/dbraw/zinc/57/02/06/1358570206.db2.gz VAVMDJJJTFSKDZ-VNTMZGSJSA-N 1 2 337.467 3.027 20 30 EGEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1oc2c(cccc2F)c1C ZINC001085641843 1358654793 /nfs/dbraw/zinc/65/47/93/1358654793.db2.gz XYPDCSMNIYALAJ-AWEZNQCLSA-N 1 2 328.387 3.050 20 30 EGEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1oc2c(cccc2F)c1C ZINC001085641843 1358654800 /nfs/dbraw/zinc/65/48/00/1358654800.db2.gz XYPDCSMNIYALAJ-AWEZNQCLSA-N 1 2 328.387 3.050 20 30 EGEDLO CN(C[C@H]1CC1(C)C)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183830662 1387355414 /nfs/dbraw/zinc/35/54/14/1387355414.db2.gz GOAWUUDQFZSCCO-MOPGFXCFSA-N 1 2 339.483 3.417 20 30 EGEDLO CN(C[C@H]1CC1(C)C)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183830662 1387355418 /nfs/dbraw/zinc/35/54/18/1387355418.db2.gz GOAWUUDQFZSCCO-MOPGFXCFSA-N 1 2 339.483 3.417 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001085806539 1358783538 /nfs/dbraw/zinc/78/35/38/1358783538.db2.gz JYOLWPHSOJJRBD-KBAYOESNSA-N 1 2 343.446 3.166 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001085806539 1358783541 /nfs/dbraw/zinc/78/35/41/1358783541.db2.gz JYOLWPHSOJJRBD-KBAYOESNSA-N 1 2 343.446 3.166 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@]12C[C@H]1CCCC2 ZINC001085807552 1358785286 /nfs/dbraw/zinc/78/52/86/1358785286.db2.gz KINYGZHCCKHLFD-RZUBCFFCSA-N 1 2 336.479 3.151 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@]12C[C@H]1CCCC2 ZINC001085807552 1358785288 /nfs/dbraw/zinc/78/52/88/1358785288.db2.gz KINYGZHCCKHLFD-RZUBCFFCSA-N 1 2 336.479 3.151 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC001085827896 1358796400 /nfs/dbraw/zinc/79/64/00/1358796400.db2.gz FQUUJDTXJPHQIZ-BHIYHBOVSA-N 1 2 344.886 3.270 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001085827896 1358796405 /nfs/dbraw/zinc/79/64/05/1358796405.db2.gz FQUUJDTXJPHQIZ-BHIYHBOVSA-N 1 2 344.886 3.270 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)CC1 ZINC001085935863 1358890448 /nfs/dbraw/zinc/89/04/48/1358890448.db2.gz QAKVEZMGMTXBEC-JYJNAYRXSA-N 1 2 345.512 3.479 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)CC1 ZINC001085935863 1358890452 /nfs/dbraw/zinc/89/04/52/1358890452.db2.gz QAKVEZMGMTXBEC-JYJNAYRXSA-N 1 2 345.512 3.479 20 30 EGEDLO CCc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccccc2C#N)cc1 ZINC001085955867 1358911620 /nfs/dbraw/zinc/91/16/20/1358911620.db2.gz MNCBPSLXXSJBET-OAQYLSRUSA-N 1 2 347.462 3.467 20 30 EGEDLO CCc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccccc2C#N)cc1 ZINC001085955867 1358911622 /nfs/dbraw/zinc/91/16/22/1358911622.db2.gz MNCBPSLXXSJBET-OAQYLSRUSA-N 1 2 347.462 3.467 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(F)ccc2F)[C@H]1CC ZINC001087603209 1359550323 /nfs/dbraw/zinc/55/03/23/1359550323.db2.gz BBAJYXQPPGYKOG-LSDHHAIUSA-N 1 2 328.790 3.300 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(F)ccc2F)[C@H]1CC ZINC001087603209 1359550325 /nfs/dbraw/zinc/55/03/25/1359550325.db2.gz BBAJYXQPPGYKOG-LSDHHAIUSA-N 1 2 328.790 3.300 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2C=CCCC2)[C@H]1C ZINC001088656640 1360003771 /nfs/dbraw/zinc/00/37/71/1360003771.db2.gz ZSGZGTYAUFYGPI-KFWWJZLASA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2C=CCCC2)[C@H]1C ZINC001088656640 1360003773 /nfs/dbraw/zinc/00/37/73/1360003773.db2.gz ZSGZGTYAUFYGPI-KFWWJZLASA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CC2CC(C)(C)C2)[C@H]1C ZINC001088812410 1360060367 /nfs/dbraw/zinc/06/03/67/1360060367.db2.gz CLQIICMABQYWLB-OCCSQVGLSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CC2CC(C)(C)C2)[C@H]1C ZINC001088812410 1360060369 /nfs/dbraw/zinc/06/03/69/1360060369.db2.gz CLQIICMABQYWLB-OCCSQVGLSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2F)[C@H]1C ZINC001088832662 1360067845 /nfs/dbraw/zinc/06/78/45/1360067845.db2.gz ADDDTKMOJQKSPE-MFKMUULPSA-N 1 2 331.218 3.424 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2F)[C@H]1C ZINC001088832662 1360067849 /nfs/dbraw/zinc/06/78/49/1360067849.db2.gz ADDDTKMOJQKSPE-MFKMUULPSA-N 1 2 331.218 3.424 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2(C)CCCCC2)[C@H]1C ZINC001088835269 1360070701 /nfs/dbraw/zinc/07/07/01/1360070701.db2.gz NCSQTGGAULGQEL-KGLIPLIRSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2(C)CCCCC2)[C@H]1C ZINC001088835269 1360070706 /nfs/dbraw/zinc/07/07/06/1360070706.db2.gz NCSQTGGAULGQEL-KGLIPLIRSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(Cl)cn2CC)[C@H]1C ZINC001089043229 1360145220 /nfs/dbraw/zinc/14/52/20/1360145220.db2.gz RBQUYYXFIBYREU-YPMHNXCESA-N 1 2 330.259 3.107 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)cn2CC)[C@H]1C ZINC001089043229 1360145225 /nfs/dbraw/zinc/14/52/25/1360145225.db2.gz RBQUYYXFIBYREU-YPMHNXCESA-N 1 2 330.259 3.107 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089156627 1360211815 /nfs/dbraw/zinc/21/18/15/1360211815.db2.gz TZQICGCVJOXLGQ-CXAGYDPISA-N 1 2 344.503 3.478 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)N(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001089159833 1360216033 /nfs/dbraw/zinc/21/60/33/1360216033.db2.gz WGWLWDCHCJMKHS-ZBFHGGJFSA-N 1 2 342.487 3.348 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H](C)[C@@H](CNc3cc[nH+]c(C)n3)C2)CC1 ZINC001089184360 1360234597 /nfs/dbraw/zinc/23/45/97/1360234597.db2.gz ABUYKILPZYLIPW-WBVHZDCISA-N 1 2 342.487 3.428 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H](C)[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001089187837 1360238028 /nfs/dbraw/zinc/23/80/28/1360238028.db2.gz NMJOAJXGNXHGDR-GDBMZVCRSA-N 1 2 330.476 3.284 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H](C)[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001089187838 1360238065 /nfs/dbraw/zinc/23/80/65/1360238065.db2.gz NMJOAJXGNXHGDR-GOEBONIOSA-N 1 2 330.476 3.284 20 30 EGEDLO C[NH+]1CCN(c2ccc(/C=C\C(=O)c3ccccc3O)cc2F)CC1 ZINC001323771627 1387447157 /nfs/dbraw/zinc/44/71/57/1387447157.db2.gz NGVYXILBYHIBOT-CLFYSBASSA-N 1 2 340.398 3.179 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccccc2)CC2(CCOCC2)C1 ZINC001089918293 1360743892 /nfs/dbraw/zinc/74/38/92/1360743892.db2.gz JGGZOLSTXMCTOL-QGZVFWFLSA-N 1 2 348.874 3.040 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccccc2)CC2(CCOCC2)C1 ZINC001089918293 1360743895 /nfs/dbraw/zinc/74/38/95/1360743895.db2.gz JGGZOLSTXMCTOL-QGZVFWFLSA-N 1 2 348.874 3.040 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001090804926 1360938436 /nfs/dbraw/zinc/93/84/36/1360938436.db2.gz HRKHVJHCORLQQX-HYVNUMGLSA-N 1 2 344.503 3.452 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001091502384 1361127722 /nfs/dbraw/zinc/12/77/22/1361127722.db2.gz LKEAPERVSXUNNT-QEWYBTABSA-N 1 2 342.487 3.427 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@H](C)[C@H]1CCNc1cc[nH+]c(C)n1 ZINC001091658234 1361173171 /nfs/dbraw/zinc/17/31/71/1361173171.db2.gz MONGNKFYUASEMC-FUHWJXTLSA-N 1 2 342.487 3.408 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)[C@@H]2C)CCC1 ZINC001092042054 1361280569 /nfs/dbraw/zinc/28/05/69/1361280569.db2.gz MXNWMGPTOORJPJ-WBVHZDCISA-N 1 2 342.487 3.232 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)CC(C)(C)C1 ZINC001092089978 1361299516 /nfs/dbraw/zinc/29/95/16/1361299516.db2.gz XNWBKDMTWBWWSE-IAGOWNOFSA-N 1 2 344.503 3.499 20 30 EGEDLO C=C[C@H](C(=O)NCC1CC(Nc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001092222756 1361329467 /nfs/dbraw/zinc/32/94/67/1361329467.db2.gz SHBOWPGHZFRAAR-VJFUWPCTSA-N 1 2 336.439 3.062 20 30 EGEDLO C=C[C@@H](C(=O)NCC1CC(Nc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001092222757 1361329560 /nfs/dbraw/zinc/32/95/60/1361329560.db2.gz SHBOWPGHZFRAAR-VMWRSERWSA-N 1 2 336.439 3.062 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H]2CN(c3cc[nH+]c(C)n3)C[C@H]2C)CCCC1 ZINC001092384774 1361372011 /nfs/dbraw/zinc/37/20/11/1361372011.db2.gz ISFAJEMVPWEHTP-NVXWUHKLSA-N 1 2 342.487 3.110 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)CC2)C1 ZINC001093588065 1361650461 /nfs/dbraw/zinc/65/04/61/1361650461.db2.gz GPEABLLXYQOAFE-IYARVYRRSA-N 1 2 348.531 3.327 20 30 EGEDLO N#Cc1ccc(NC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001184749071 1387527768 /nfs/dbraw/zinc/52/77/68/1387527768.db2.gz AKEPYSSOZUYYDO-UHFFFAOYSA-N 1 2 336.395 3.034 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001095108921 1362016332 /nfs/dbraw/zinc/01/63/32/1362016332.db2.gz LAXMQQPIOGARME-QGZVFWFLSA-N 1 2 342.487 3.139 20 30 EGEDLO C=CCC1(C(=O)N2CCCN(c3cc[nH+]c(C)n3)CC2)CCCCC1 ZINC001095182324 1362043761 /nfs/dbraw/zinc/04/37/61/1362043761.db2.gz SGCTZBKVPMSBOY-UHFFFAOYSA-N 1 2 342.487 3.350 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC2CCC2)C3)c1 ZINC001095267731 1362075354 /nfs/dbraw/zinc/07/53/54/1362075354.db2.gz HDOXPEQNEMTSFZ-NEWSRXKRSA-N 1 2 341.430 3.109 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC2CCC2)C3)c1 ZINC001095267731 1362075357 /nfs/dbraw/zinc/07/53/57/1362075357.db2.gz HDOXPEQNEMTSFZ-NEWSRXKRSA-N 1 2 341.430 3.109 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nc(C(C)C)no2)C1 ZINC001184884808 1387554743 /nfs/dbraw/zinc/55/47/43/1387554743.db2.gz SUAQOSAGZLXBQY-HZPDHXFCSA-N 1 2 346.475 3.028 20 30 EGEDLO C=CCC(CC=C)C(=O)NC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095431203 1362138784 /nfs/dbraw/zinc/13/87/84/1362138784.db2.gz CCFCKWBUSRCJHR-UHFFFAOYSA-N 1 2 342.487 3.255 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001095727815 1362214747 /nfs/dbraw/zinc/21/47/47/1362214747.db2.gz FHCMOSJBLFSCEO-HXUWFJFHSA-N 1 2 344.503 3.209 20 30 EGEDLO CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2F)CCC1 ZINC001095877802 1362265149 /nfs/dbraw/zinc/26/51/49/1362265149.db2.gz NHUQXMLZNLYUAU-NJAFHUGGSA-N 1 2 341.430 3.109 20 30 EGEDLO CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2F)CCC1 ZINC001095877802 1362265154 /nfs/dbraw/zinc/26/51/54/1362265154.db2.gz NHUQXMLZNLYUAU-NJAFHUGGSA-N 1 2 341.430 3.109 20 30 EGEDLO C=C[C@H](C(=O)NCCCN(CC)c1cc[nH+]c(C)n1)c1ccccc1 ZINC001095886625 1362270457 /nfs/dbraw/zinc/27/04/57/1362270457.db2.gz DMGIXXKUEJIQOH-SFHVURJKSA-N 1 2 338.455 3.087 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc[nH]c1C1CCC1)C2 ZINC001096012022 1362333730 /nfs/dbraw/zinc/33/37/30/1362333730.db2.gz MTYVHEMKJFFSEV-KBMXLJTQSA-N 1 2 333.863 3.370 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc[nH]c1C1CCC1)C2 ZINC001096012022 1362333733 /nfs/dbraw/zinc/33/37/33/1362333733.db2.gz MTYVHEMKJFFSEV-KBMXLJTQSA-N 1 2 333.863 3.370 20 30 EGEDLO C=C(C)CCC(=O)NCCCN(c1nc(C)[nH+]c(C)c1C)C1CC1 ZINC001096052907 1362354890 /nfs/dbraw/zinc/35/48/90/1362354890.db2.gz OFQXPDSLCQFYLY-UHFFFAOYSA-N 1 2 330.476 3.233 20 30 EGEDLO C=CCCC(=O)N(C)C1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001096096136 1362380858 /nfs/dbraw/zinc/38/08/58/1362380858.db2.gz AXWVHPIFPRYVRQ-UHFFFAOYSA-N 1 2 328.460 3.056 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(Cl)s1)C2 ZINC001096126022 1362395797 /nfs/dbraw/zinc/39/57/97/1362395797.db2.gz KTKHVBASKSOHMV-WXHSDQCUSA-N 1 2 345.295 3.418 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(Cl)s1)C2 ZINC001096126022 1362395800 /nfs/dbraw/zinc/39/58/00/1362395800.db2.gz KTKHVBASKSOHMV-WXHSDQCUSA-N 1 2 345.295 3.418 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC001096225048 1362442025 /nfs/dbraw/zinc/44/20/25/1362442025.db2.gz UYGKDRDJBHMRRA-MRXNPFEDSA-N 1 2 342.487 3.105 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001096233635 1362446324 /nfs/dbraw/zinc/44/63/24/1362446324.db2.gz YOHUOEHMXPSWMF-LPHOPBHVSA-N 1 2 330.476 3.089 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)c1ccccc1)C2 ZINC001096508304 1362541272 /nfs/dbraw/zinc/54/12/72/1362541272.db2.gz VVBPMVCKJGSMCZ-IKGGRYGDSA-N 1 2 332.875 3.438 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)c1ccccc1)C2 ZINC001096508304 1362541278 /nfs/dbraw/zinc/54/12/78/1362541278.db2.gz VVBPMVCKJGSMCZ-IKGGRYGDSA-N 1 2 332.875 3.438 20 30 EGEDLO C=C[C@@H](C(=O)NC[C@H](Nc1cc[nH+]c(C)n1)C1CC1)c1ccccc1 ZINC001096673808 1362626246 /nfs/dbraw/zinc/62/62/46/1362626246.db2.gz IPHGGIHQSFDYBM-MSOLQXFVSA-N 1 2 336.439 3.062 20 30 EGEDLO C=CCCC(=O)N1CCC[C@@H](CN(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096865433 1362756209 /nfs/dbraw/zinc/75/62/09/1362756209.db2.gz BXKGZGQXMFGVHI-INIZCTEOSA-N 1 2 342.487 3.303 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)CCCC2CC2)CC1 ZINC001324330227 1387593988 /nfs/dbraw/zinc/59/39/88/1387593988.db2.gz YPYGZQWKDPLHDJ-UHFFFAOYSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c(C)cccc1C)C2 ZINC001097154797 1362867815 /nfs/dbraw/zinc/86/78/15/1362867815.db2.gz VENPAHBZFIZYPC-NXHRZFHOSA-N 1 2 332.875 3.320 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c(C)cccc1C)C2 ZINC001097154797 1362867816 /nfs/dbraw/zinc/86/78/16/1362867816.db2.gz VENPAHBZFIZYPC-NXHRZFHOSA-N 1 2 332.875 3.320 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097243961 1362899627 /nfs/dbraw/zinc/89/96/27/1362899627.db2.gz USQBMZJAMMMRAP-JMGFVUJMSA-N 1 2 328.460 3.180 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H]1CCCCN1c1nc(C)[nH+]c(C)c1C ZINC001097454180 1363000114 /nfs/dbraw/zinc/00/01/14/1363000114.db2.gz SWWIOXBJJYQFTC-SFHVURJKSA-N 1 2 342.487 3.071 20 30 EGEDLO Cc1nc(NC[C@@H]2CCCCN2C(=O)CC#Cc2ccccc2)cc[nH+]1 ZINC001097488395 1363017025 /nfs/dbraw/zinc/01/70/25/1363017025.db2.gz SMIZCWDWRIIHGI-IBGZPJMESA-N 1 2 348.450 3.020 20 30 EGEDLO C=CCCC(=O)N[C@H](C)[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097524716 1363038733 /nfs/dbraw/zinc/03/87/33/1363038733.db2.gz KHTQCWHLBWLPIH-WBVHZDCISA-N 1 2 330.476 3.089 20 30 EGEDLO CC(C)C#CC(=O)NC[C@H](C)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001097823815 1363131526 /nfs/dbraw/zinc/13/15/26/1363131526.db2.gz YCRJKDAXAQNAFA-HNNXBMFYSA-N 1 2 330.476 3.299 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)C2 ZINC001097989068 1363190085 /nfs/dbraw/zinc/19/00/85/1363190085.db2.gz BPHIBJCARRHOJU-SFFUCWETSA-N 1 2 330.859 3.264 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)C2 ZINC001097989068 1363190088 /nfs/dbraw/zinc/19/00/88/1363190088.db2.gz BPHIBJCARRHOJU-SFFUCWETSA-N 1 2 330.859 3.264 20 30 EGEDLO C=C(C)[C@@H](CC(=O)NC[C@@H](C)Nc1cc(C)[nH+]c(C(C)C)n1)OCC ZINC001098088116 1363218596 /nfs/dbraw/zinc/21/85/96/1363218596.db2.gz RZIFKOWPAADGQW-HZPDHXFCSA-N 1 2 348.491 3.196 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3ncsc3c1)C2 ZINC001098328552 1363300485 /nfs/dbraw/zinc/30/04/85/1363300485.db2.gz SPYDFAGBUXQTMF-YUELXQCFSA-N 1 2 347.871 3.384 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3ncsc3c1)C2 ZINC001098328552 1363300486 /nfs/dbraw/zinc/30/04/86/1363300486.db2.gz SPYDFAGBUXQTMF-YUELXQCFSA-N 1 2 347.871 3.384 20 30 EGEDLO C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001099084906 1363614655 /nfs/dbraw/zinc/61/46/55/1363614655.db2.gz HKYRSKMZTIOMKE-STQMWFEESA-N 1 2 338.389 3.460 20 30 EGEDLO C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001099084906 1363614658 /nfs/dbraw/zinc/61/46/58/1363614658.db2.gz HKYRSKMZTIOMKE-STQMWFEESA-N 1 2 338.389 3.460 20 30 EGEDLO C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC001099084906 1363614659 /nfs/dbraw/zinc/61/46/59/1363614659.db2.gz HKYRSKMZTIOMKE-STQMWFEESA-N 1 2 338.389 3.460 20 30 EGEDLO C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC001099084906 1363614661 /nfs/dbraw/zinc/61/46/61/1363614661.db2.gz HKYRSKMZTIOMKE-STQMWFEESA-N 1 2 338.389 3.460 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1cc(C)on1 ZINC001099199702 1363688970 /nfs/dbraw/zinc/68/89/70/1363688970.db2.gz PCVVJJVLTYARRD-KRWDZBQOSA-N 1 2 333.476 3.446 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1cc(C)on1 ZINC001099199702 1363688972 /nfs/dbraw/zinc/68/89/72/1363688972.db2.gz PCVVJJVLTYARRD-KRWDZBQOSA-N 1 2 333.476 3.446 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(C)CCOCC1 ZINC001099276153 1363727047 /nfs/dbraw/zinc/72/70/47/1363727047.db2.gz NNXACTGAYUZKNX-OAHLLOKOSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(C)CCOCC1 ZINC001099276153 1363727051 /nfs/dbraw/zinc/72/70/51/1363727051.db2.gz NNXACTGAYUZKNX-OAHLLOKOSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCC2CCCCCC2)[C@@H](O)C1 ZINC001099926314 1363987256 /nfs/dbraw/zinc/98/72/56/1363987256.db2.gz OJWHJGYHQXDGKZ-IRXDYDNUSA-N 1 2 342.911 3.041 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCC2CCCCCC2)[C@@H](O)C1 ZINC001099926314 1363987258 /nfs/dbraw/zinc/98/72/58/1363987258.db2.gz OJWHJGYHQXDGKZ-IRXDYDNUSA-N 1 2 342.911 3.041 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCCCCCC)[C@@H](O)C1 ZINC001100084869 1364012510 /nfs/dbraw/zinc/01/25/10/1364012510.db2.gz CCRVXUPELMYNQI-CVEARBPZSA-N 1 2 330.900 3.041 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCCCCCC)[C@@H](O)C1 ZINC001100084869 1364012514 /nfs/dbraw/zinc/01/25/14/1364012514.db2.gz CCRVXUPELMYNQI-CVEARBPZSA-N 1 2 330.900 3.041 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCCCCCCC)[C@@H](O)C1 ZINC001100087985 1364013707 /nfs/dbraw/zinc/01/37/07/1364013707.db2.gz UMYSEYVPRRVOLV-SJORKVTESA-N 1 2 344.927 3.431 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCCCCCCC)[C@@H](O)C1 ZINC001100087985 1364013710 /nfs/dbraw/zinc/01/37/10/1364013710.db2.gz UMYSEYVPRRVOLV-SJORKVTESA-N 1 2 344.927 3.431 20 30 EGEDLO C=CC(C)(C)C(=O)NCCN(C)c1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001100255119 1364059537 /nfs/dbraw/zinc/05/95/37/1364059537.db2.gz AEHXEPDSSYVNHX-UHFFFAOYSA-N 1 2 332.492 3.488 20 30 EGEDLO C#CCOCC[N@@H+](C)Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC001324515400 1387658045 /nfs/dbraw/zinc/65/80/45/1387658045.db2.gz AQKFSFCWDCRSPQ-UHFFFAOYSA-N 1 2 340.210 3.125 20 30 EGEDLO C#CCOCC[N@H+](C)Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC001324515400 1387658049 /nfs/dbraw/zinc/65/80/49/1387658049.db2.gz AQKFSFCWDCRSPQ-UHFFFAOYSA-N 1 2 340.210 3.125 20 30 EGEDLO C=CCCC1(C(=O)NCCN(C)c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001100317658 1364079004 /nfs/dbraw/zinc/07/90/04/1364079004.db2.gz GASXRYZXFDLLEM-UHFFFAOYSA-N 1 2 330.476 3.207 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCN(CC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001100626668 1364195623 /nfs/dbraw/zinc/19/56/23/1364195623.db2.gz NNTSVPNUTFRJTQ-UHFFFAOYSA-N 1 2 332.492 3.453 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCN(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001100691526 1364220732 /nfs/dbraw/zinc/22/07/32/1364220732.db2.gz RWTIQQHAWXHUDR-UKRRQHHQSA-N 1 2 330.476 3.063 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001101042293 1364387141 /nfs/dbraw/zinc/38/71/41/1364387141.db2.gz YGAHLXYVLNOHOA-NVXWUHKLSA-N 1 2 344.503 3.453 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCN(CCC)c1nc(C)[nH+]c(C)c1C ZINC001101223010 1364471548 /nfs/dbraw/zinc/47/15/48/1364471548.db2.gz YJUZHDQYPIWMRX-AWEZNQCLSA-N 1 2 332.492 3.337 20 30 EGEDLO C=CCO[C@@H](C)C(=O)N(C)CCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001101668125 1364681621 /nfs/dbraw/zinc/68/16/21/1364681621.db2.gz HSMJVQSNKZHMIU-HNNXBMFYSA-N 1 2 348.491 3.185 20 30 EGEDLO C=CCCCC(=O)NCC[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102380236 1365032399 /nfs/dbraw/zinc/03/23/99/1365032399.db2.gz ZXARZHDMVIARRO-MRXNPFEDSA-N 1 2 342.487 3.351 20 30 EGEDLO CC#CCCCC(=O)N(C)[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001102763276 1365207696 /nfs/dbraw/zinc/20/76/96/1365207696.db2.gz IURCLSPOVJWFLG-QGZVFWFLSA-N 1 2 342.487 3.139 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102885182 1365274296 /nfs/dbraw/zinc/27/42/96/1365274296.db2.gz LXFQEPDMBFQZJE-MRXNPFEDSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CCCC(=O)NCC[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102902116 1365283064 /nfs/dbraw/zinc/28/30/64/1365283064.db2.gz ASQQRWVMUTZCKJ-KRWDZBQOSA-N 1 2 330.476 3.091 20 30 EGEDLO C=C1CCC(C(=O)NCC[C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001102942246 1365306960 /nfs/dbraw/zinc/30/69/60/1365306960.db2.gz VDVAYYWPBKNPJD-KRWDZBQOSA-N 1 2 342.487 3.254 20 30 EGEDLO C=CCCCC(=O)NC[C@H](CC)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001103279273 1365469023 /nfs/dbraw/zinc/46/90/23/1365469023.db2.gz KBGPBVRWAOGFRK-HNNXBMFYSA-N 1 2 330.476 3.327 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H](CC)Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001103307334 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344.503 3.430 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@@H]([C@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001105077405 1366310415 /nfs/dbraw/zinc/31/04/15/1366310415.db2.gz NINVNGIWRPSAKC-DOTOQJQBSA-N 1 2 328.460 3.018 20 30 EGEDLO CC#CCCCC(=O)N1CCC[C@@H](C)[C@H]1CNc1cc[nH+]c(C)n1 ZINC001105097215 1366325267 /nfs/dbraw/zinc/32/52/67/1366325267.db2.gz LYOBNVJYMPXFED-NVXWUHKLSA-N 1 2 328.460 3.018 20 30 EGEDLO C=CCCCC(=O)N1CCC(CCN(C)c2cc[nH+]c(C)n2)CC1 ZINC001105100779 1366328581 /nfs/dbraw/zinc/32/85/81/1366328581.db2.gz JPVZHRORUMYGHG-UHFFFAOYSA-N 1 2 330.476 3.206 20 30 EGEDLO CC(C)c1cc(N[C@@H](CNC(=O)[C@H](C)C#N)C(C)C)nc(C(C)C)[nH+]1 ZINC001105140384 1366343467 /nfs/dbraw/zinc/34/34/67/1366343467.db2.gz YDNZKMPURYNDOG-ZBFHGGJFSA-N 1 2 345.491 3.436 20 30 EGEDLO CC(C)c1cc(N[C@@H](CNC(=O)[C@@H](C)C#N)C(C)C)nc(C(C)C)[nH+]1 ZINC001105140383 1366343609 /nfs/dbraw/zinc/34/36/09/1366343609.db2.gz YDNZKMPURYNDOG-HOCLYGCPSA-N 1 2 345.491 3.436 20 30 EGEDLO C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C(F)C(F)(F)F)CCC1 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C=C1CC(C)(C(=O)N[C@@H](C)CN(C)c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001109232699 1367017254 /nfs/dbraw/zinc/01/72/54/1367017254.db2.gz FYJKWCCNWXIZJG-HNNXBMFYSA-N 1 2 330.476 3.206 20 30 EGEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)c(F)c1 ZINC001109251898 1367027162 /nfs/dbraw/zinc/02/71/62/1367027162.db2.gz POFCBHWWPXHRSO-JLSDUUJJSA-N 1 2 346.833 3.114 20 30 EGEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)c(F)c1 ZINC001109251898 1367027166 /nfs/dbraw/zinc/02/71/66/1367027166.db2.gz POFCBHWWPXHRSO-JLSDUUJJSA-N 1 2 346.833 3.114 20 30 EGEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1Cl ZINC001109257936 1367029100 /nfs/dbraw/zinc/02/91/00/1367029100.db2.gz UPVUYPITGCWOCK-PVAVHDDUSA-N 1 2 346.833 3.114 20 30 EGEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1Cl ZINC001109257936 1367029104 /nfs/dbraw/zinc/02/91/04/1367029104.db2.gz UPVUYPITGCWOCK-PVAVHDDUSA-N 1 2 346.833 3.114 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CCCC[C@H]1CNc1cc[nH+]c(C)n1 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VJGQFEBHMLOAJI-OXJNMPFZSA-N 1 2 348.462 3.450 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109632814 1367252332 /nfs/dbraw/zinc/25/23/32/1367252332.db2.gz DTFLLDGIGUXBRR-LDTOTXGLSA-N 1 2 337.467 3.382 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109632814 1367252336 /nfs/dbraw/zinc/25/23/36/1367252336.db2.gz DTFLLDGIGUXBRR-LDTOTXGLSA-N 1 2 337.467 3.382 20 30 EGEDLO C#CCCCCCC(=O)NC[C@]1(C)C[N@H+](Cc2ccsc2)CCO1 ZINC001108122357 1367292749 /nfs/dbraw/zinc/29/27/49/1367292749.db2.gz RNVUGJHPMCLRDX-LJQANCHMSA-N 1 2 348.512 3.039 20 30 EGEDLO C#CCCCCCC(=O)NC[C@]1(C)C[N@@H+](Cc2ccsc2)CCO1 ZINC001108122357 1367292750 /nfs/dbraw/zinc/29/27/50/1367292750.db2.gz RNVUGJHPMCLRDX-LJQANCHMSA-N 1 2 348.512 3.039 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1ncc(C)o1 ZINC001109769807 1367312986 /nfs/dbraw/zinc/31/29/86/1367312986.db2.gz VQKQPLJLMUXOKE-WCVJEAGWSA-N 1 2 331.460 3.368 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1ncc(C)o1 ZINC001109769807 1367312991 /nfs/dbraw/zinc/31/29/91/1367312991.db2.gz VQKQPLJLMUXOKE-WCVJEAGWSA-N 1 2 331.460 3.368 20 30 EGEDLO C=CCCC1(C(=O)NC[C@]2(C)C[N@H+](Cc3ccsc3)CCO2)CC1 ZINC001108186877 1367329879 /nfs/dbraw/zinc/32/98/79/1367329879.db2.gz UMPDCNUPCJLPBU-GOSISDBHSA-N 1 2 348.512 3.202 20 30 EGEDLO C=CCCC1(C(=O)NC[C@]2(C)C[N@@H+](Cc3ccsc3)CCO2)CC1 ZINC001108186877 1367329883 /nfs/dbraw/zinc/32/98/83/1367329883.db2.gz UMPDCNUPCJLPBU-GOSISDBHSA-N 1 2 348.512 3.202 20 30 EGEDLO C=CCC1(C(=O)N[C@@H](CNc2cc[nH+]c(C)n2)C2CC2)CCCC1 ZINC001109869146 1367371864 /nfs/dbraw/zinc/37/18/64/1367371864.db2.gz LXWDIRKTBMHUAQ-INIZCTEOSA-N 1 2 328.460 3.228 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001108363038 1367412602 /nfs/dbraw/zinc/41/26/02/1367412602.db2.gz UQRZRGRHXUHBNQ-MRXNPFEDSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001108363038 1367412605 /nfs/dbraw/zinc/41/26/05/1367412605.db2.gz UQRZRGRHXUHBNQ-MRXNPFEDSA-N 1 2 343.254 3.000 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001108558661 1367488230 /nfs/dbraw/zinc/48/82/30/1367488230.db2.gz NOUYBFFSFOHMEC-NSHDSACASA-N 1 2 336.867 3.358 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001108636734 1367508923 /nfs/dbraw/zinc/50/89/23/1367508923.db2.gz HBBHMMCUDPYVLU-INIZCTEOSA-N 1 2 330.476 3.409 20 30 EGEDLO Cc1cc(NC2(CNC(=O)C#CC(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001110131361 1367515364 /nfs/dbraw/zinc/51/53/64/1367515364.db2.gz FJSMVWYZOOIJPW-UHFFFAOYSA-N 1 2 328.460 3.019 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)CCCC2CC2)C1 ZINC001191860197 1367616785 /nfs/dbraw/zinc/61/67/85/1367616785.db2.gz YDNOTCDYCSDOPB-LJQANCHMSA-N 1 2 343.446 3.310 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)CCCC2CC2)C1 ZINC001191860197 1367616794 /nfs/dbraw/zinc/61/67/94/1367616794.db2.gz YDNOTCDYCSDOPB-LJQANCHMSA-N 1 2 343.446 3.310 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001191868762 1367622097 /nfs/dbraw/zinc/62/20/97/1367622097.db2.gz ZICNMIVNHACRBT-HOCLYGCPSA-N 1 2 331.460 3.187 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001191868762 1367622101 /nfs/dbraw/zinc/62/21/01/1367622101.db2.gz ZICNMIVNHACRBT-HOCLYGCPSA-N 1 2 331.460 3.187 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(O)ccc2Cl)C1 ZINC001191868369 1367622685 /nfs/dbraw/zinc/62/26/85/1367622685.db2.gz SJQNVTZNHYTNPF-MRXNPFEDSA-N 1 2 348.874 3.272 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(O)ccc2Cl)C1 ZINC001191868369 1367622691 /nfs/dbraw/zinc/62/26/91/1367622691.db2.gz SJQNVTZNHYTNPF-MRXNPFEDSA-N 1 2 348.874 3.272 20 30 EGEDLO CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001108930469 1367669082 /nfs/dbraw/zinc/66/90/82/1367669082.db2.gz UWZCZJNJJRHJIQ-NEWSRXKRSA-N 1 2 343.446 3.499 20 30 EGEDLO CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001108930469 1367669087 /nfs/dbraw/zinc/66/90/87/1367669087.db2.gz UWZCZJNJJRHJIQ-NEWSRXKRSA-N 1 2 343.446 3.499 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3ncc(C4CC4)o3)C2)CC1 ZINC001192179817 1367708334 /nfs/dbraw/zinc/70/83/34/1367708334.db2.gz AIAVZDYMHKKMCN-MRXNPFEDSA-N 1 2 343.471 3.331 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ncc(C4CC4)o3)C2)CC1 ZINC001192179817 1367708338 /nfs/dbraw/zinc/70/83/38/1367708338.db2.gz AIAVZDYMHKKMCN-MRXNPFEDSA-N 1 2 343.471 3.331 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3ncc(C4CC4)o3)C2)CCC1 ZINC001192217856 1367721031 /nfs/dbraw/zinc/72/10/31/1367721031.db2.gz KXJBMOIRQURJRC-MRXNPFEDSA-N 1 2 343.471 3.331 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ncc(C4CC4)o3)C2)CCC1 ZINC001192217856 1367721034 /nfs/dbraw/zinc/72/10/34/1367721034.db2.gz KXJBMOIRQURJRC-MRXNPFEDSA-N 1 2 343.471 3.331 20 30 EGEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nsc2ccccc21 ZINC001109055348 1367742000 /nfs/dbraw/zinc/74/20/00/1367742000.db2.gz YZYPVIVLIFTAQL-KMFMINBZSA-N 1 2 341.480 3.484 20 30 EGEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nsc2ccccc21 ZINC001109055348 1367742008 /nfs/dbraw/zinc/74/20/08/1367742008.db2.gz YZYPVIVLIFTAQL-KMFMINBZSA-N 1 2 341.480 3.484 20 30 EGEDLO O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1sccc1Cl ZINC001110531915 1367812900 /nfs/dbraw/zinc/81/29/00/1367812900.db2.gz RZEVOKUTNRNUHK-YUELXQCFSA-N 1 2 334.872 3.036 20 30 EGEDLO O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1sccc1Cl ZINC001110531915 1367812905 /nfs/dbraw/zinc/81/29/05/1367812905.db2.gz RZEVOKUTNRNUHK-YUELXQCFSA-N 1 2 334.872 3.036 20 30 EGEDLO C[C@@H](c1c(F)cccc1F)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110543594 1367821356 /nfs/dbraw/zinc/82/13/56/1367821356.db2.gz YUOMXUDBJMFKLW-GGBBIFEXSA-N 1 2 344.405 3.161 20 30 EGEDLO C[C@@H](c1c(F)cccc1F)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110543594 1367821361 /nfs/dbraw/zinc/82/13/61/1367821361.db2.gz YUOMXUDBJMFKLW-GGBBIFEXSA-N 1 2 344.405 3.161 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1F ZINC001110543277 1367821412 /nfs/dbraw/zinc/82/14/12/1367821412.db2.gz KKLYEJANBNAUEQ-NXHRZFHOSA-N 1 2 346.421 3.236 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1F ZINC001110543277 1367821422 /nfs/dbraw/zinc/82/14/22/1367821422.db2.gz KKLYEJANBNAUEQ-NXHRZFHOSA-N 1 2 346.421 3.236 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccns1 ZINC001110600974 1367862532 /nfs/dbraw/zinc/86/25/32/1367862532.db2.gz DBANFQSSIRPLAS-BNOWGMLFSA-N 1 2 339.892 3.143 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccns1 ZINC001110600974 1367862538 /nfs/dbraw/zinc/86/25/38/1367862538.db2.gz DBANFQSSIRPLAS-BNOWGMLFSA-N 1 2 339.892 3.143 20 30 EGEDLO C#CCN(C(=O)C[C@@H](C)CCC)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110619725 1367873093 /nfs/dbraw/zinc/87/30/93/1367873093.db2.gz XQRXRKNFGBASSW-INIZCTEOSA-N 1 2 342.487 3.042 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]c(CC)n1 ZINC001110697262 1367934798 /nfs/dbraw/zinc/93/47/98/1367934798.db2.gz JPSULIVONGEEIM-SJORKVTESA-N 1 2 342.487 3.273 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1F ZINC001110897784 1368072353 /nfs/dbraw/zinc/07/23/53/1368072353.db2.gz XFUHSIHJCWGMEM-OIISXLGYSA-N 1 2 334.410 3.399 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1F ZINC001110897784 1368072358 /nfs/dbraw/zinc/07/23/58/1368072358.db2.gz XFUHSIHJCWGMEM-OIISXLGYSA-N 1 2 334.410 3.399 20 30 EGEDLO C=CCCC(=O)NC[C@]1(C)CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001110920628 1368092497 /nfs/dbraw/zinc/09/24/97/1368092497.db2.gz UHBMAQZTPJDPQT-IBGZPJMESA-N 1 2 330.476 3.091 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001110933824 1368104069 /nfs/dbraw/zinc/10/40/69/1368104069.db2.gz RYFDKWFIVAIIJC-XZDPQHSOSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001110933824 1368104076 /nfs/dbraw/zinc/10/40/76/1368104076.db2.gz RYFDKWFIVAIIJC-XZDPQHSOSA-N 1 2 333.501 3.275 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc2ccccc2o1 ZINC001110964250 1368127190 /nfs/dbraw/zinc/12/71/90/1368127190.db2.gz AYSKZZYTGALYMT-OIISXLGYSA-N 1 2 339.439 3.406 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc2ccccc2o1 ZINC001110964250 1368127191 /nfs/dbraw/zinc/12/71/91/1368127191.db2.gz AYSKZZYTGALYMT-OIISXLGYSA-N 1 2 339.439 3.406 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001110988989 1368136077 /nfs/dbraw/zinc/13/60/77/1368136077.db2.gz BXNAOWQQIAVWAG-BSXFFOKHSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001110988989 1368136079 /nfs/dbraw/zinc/13/60/79/1368136079.db2.gz BXNAOWQQIAVWAG-BSXFFOKHSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001110989729 1368136495 /nfs/dbraw/zinc/13/64/95/1368136495.db2.gz UEQZNJLLFNMBFE-VXNCWWDNSA-N 1 2 331.435 3.045 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1 ZINC001110989729 1368136501 /nfs/dbraw/zinc/13/65/01/1368136501.db2.gz UEQZNJLLFNMBFE-VXNCWWDNSA-N 1 2 331.435 3.045 20 30 EGEDLO CC(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001111192940 1368186538 /nfs/dbraw/zinc/18/65/38/1368186538.db2.gz ZPEAZMACTIKDHH-OBZTUIKSSA-N 1 2 339.483 3.462 20 30 EGEDLO CC(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001111192940 1368186541 /nfs/dbraw/zinc/18/65/41/1368186541.db2.gz ZPEAZMACTIKDHH-OBZTUIKSSA-N 1 2 339.483 3.462 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H]([C@@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001111225585 1368200315 /nfs/dbraw/zinc/20/03/15/1368200315.db2.gz NKRWURIKYSJJJD-PBHICJAKSA-N 1 2 328.460 3.202 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3nocc3C)C2)CCCC1 ZINC001194566282 1368287877 /nfs/dbraw/zinc/28/78/77/1368287877.db2.gz DKMHQDNDMQKHQI-MRXNPFEDSA-N 1 2 331.460 3.152 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3nocc3C)C2)CCCC1 ZINC001194566282 1368287881 /nfs/dbraw/zinc/28/78/81/1368287881.db2.gz DKMHQDNDMQKHQI-MRXNPFEDSA-N 1 2 331.460 3.152 20 30 EGEDLO CCCCCCCCCOC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001194910521 1368345214 /nfs/dbraw/zinc/34/52/14/1368345214.db2.gz UPGXYXVSHYXFSW-KRWDZBQOSA-N 1 2 326.481 3.280 20 30 EGEDLO Cn1c[nH+]cc1-c1cccc(C(=O)NCc2ccc(C#N)c(F)c2)c1 ZINC001194917386 1368347946 /nfs/dbraw/zinc/34/79/46/1368347946.db2.gz MJVFUGUZFZCAGS-UHFFFAOYSA-N 1 2 334.354 3.028 20 30 EGEDLO C=CCCC(=O)N1CCC[N@@H+](Cc2cc(Cl)cc3c2OCC3)CC1 ZINC001195226017 1368403744 /nfs/dbraw/zinc/40/37/44/1368403744.db2.gz LQLMKPLSQMCJJL-UHFFFAOYSA-N 1 2 348.874 3.275 20 30 EGEDLO C=CCCC(=O)N1CCC[N@H+](Cc2cc(Cl)cc3c2OCC3)CC1 ZINC001195226017 1368403746 /nfs/dbraw/zinc/40/37/46/1368403746.db2.gz LQLMKPLSQMCJJL-UHFFFAOYSA-N 1 2 348.874 3.275 20 30 EGEDLO C#CCCCCC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2F)CC1 ZINC001195541626 1368451843 /nfs/dbraw/zinc/45/18/43/1368451843.db2.gz ZMFZYROYICXGNW-UHFFFAOYSA-N 1 2 334.410 3.193 20 30 EGEDLO C#CCCCCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2F)CC1 ZINC001195541626 1368451844 /nfs/dbraw/zinc/45/18/44/1368451844.db2.gz ZMFZYROYICXGNW-UHFFFAOYSA-N 1 2 334.410 3.193 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@@H+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC001195645730 1368464788 /nfs/dbraw/zinc/46/47/88/1368464788.db2.gz YOKROTSIKSPEOQ-OAHLLOKOSA-N 1 2 334.410 3.364 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@H+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC001195645730 1368464792 /nfs/dbraw/zinc/46/47/92/1368464792.db2.gz YOKROTSIKSPEOQ-OAHLLOKOSA-N 1 2 334.410 3.364 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[N@@H+](Cc2nc(C)c(C)s2)CC1 ZINC001195990214 1368530756 /nfs/dbraw/zinc/53/07/56/1368530756.db2.gz OACWFPMABVRQPV-UHFFFAOYSA-N 1 2 335.517 3.397 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[N@H+](Cc2nc(C)c(C)s2)CC1 ZINC001195990214 1368530757 /nfs/dbraw/zinc/53/07/57/1368530757.db2.gz OACWFPMABVRQPV-UHFFFAOYSA-N 1 2 335.517 3.397 20 30 EGEDLO Cc1cc(C)c(C(=O)NCC2(Nc3ccc(C#N)cn3)CCC2)c(C)[nH+]1 ZINC001111941851 1368568884 /nfs/dbraw/zinc/56/88/84/1368568884.db2.gz IHIRWYKYRNVYOH-UHFFFAOYSA-N 1 2 349.438 3.038 20 30 EGEDLO CCCCCCCCC(=O)N1CCO[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001111946605 1368569783 /nfs/dbraw/zinc/56/97/83/1368569783.db2.gz DTKCRBGJWOXTPL-KRWDZBQOSA-N 1 2 348.491 3.175 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001196771900 1368680706 /nfs/dbraw/zinc/68/07/06/1368680706.db2.gz ZBHBFLRUDDMCQV-UHFFFAOYSA-N 1 2 337.467 3.176 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001196771900 1368680709 /nfs/dbraw/zinc/68/07/09/1368680709.db2.gz ZBHBFLRUDDMCQV-UHFFFAOYSA-N 1 2 337.467 3.176 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2nc3ccccc3o2)CC1 ZINC001196853109 1368699235 /nfs/dbraw/zinc/69/92/35/1368699235.db2.gz HCERSYKJZTZWQH-JKSUJKDBSA-N 1 2 341.455 3.320 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2nc3ccccc3o2)CC1 ZINC001196853109 1368699240 /nfs/dbraw/zinc/69/92/40/1368699240.db2.gz HCERSYKJZTZWQH-JKSUJKDBSA-N 1 2 341.455 3.320 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)CCCC2CC2)CC1 ZINC001196862414 1368701751 /nfs/dbraw/zinc/70/17/51/1368701751.db2.gz JJJVCSXBIAPXFJ-UHFFFAOYSA-N 1 2 325.456 3.173 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)CCCC2CC2)CC1 ZINC001196862414 1368701755 /nfs/dbraw/zinc/70/17/55/1368701755.db2.gz JJJVCSXBIAPXFJ-UHFFFAOYSA-N 1 2 325.456 3.173 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCCC3CC3)CC2)c(F)c1 ZINC001196862888 1368703215 /nfs/dbraw/zinc/70/32/15/1368703215.db2.gz ZXRWMCGZMPBRCC-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCCC3CC3)CC2)c(F)c1 ZINC001196862888 1368703216 /nfs/dbraw/zinc/70/32/16/1368703216.db2.gz ZXRWMCGZMPBRCC-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@@]2(CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001112219663 1368728659 /nfs/dbraw/zinc/72/86/59/1368728659.db2.gz WKFHUKWKWHYPES-JXFKEZNVSA-N 1 2 342.487 3.206 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[C@]2(CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001112219744 1368728841 /nfs/dbraw/zinc/72/88/41/1368728841.db2.gz YHZQDZIRFBGQEK-YLJYHZDGSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CCC1(C(=O)N2C[C@H](C)[C@H](Nc3cc[nH+]c(C)n3)C2)CCCC1 ZINC001112318423 1368763105 /nfs/dbraw/zinc/76/31/05/1368763105.db2.gz PGIKAPGDVWECQY-GOEBONIOSA-N 1 2 328.460 3.180 20 30 EGEDLO C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(F)C(F)(F)F)C2 ZINC001112360968 1368791929 /nfs/dbraw/zinc/79/19/29/1368791929.db2.gz VINWYGRXDPWXBO-GUTXKFCHSA-N 1 2 336.373 3.071 20 30 EGEDLO C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C2 ZINC001112360968 1368791934 /nfs/dbraw/zinc/79/19/34/1368791934.db2.gz VINWYGRXDPWXBO-GUTXKFCHSA-N 1 2 336.373 3.071 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)[C@H](C)C1 ZINC001112472435 1368872147 /nfs/dbraw/zinc/87/21/47/1368872147.db2.gz WXNQWUFMCOHDFQ-SJORKVTESA-N 1 2 342.487 3.185 20 30 EGEDLO C=CCC(C)(C)C(=O)N(C)[C@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001112634800 1368965576 /nfs/dbraw/zinc/96/55/76/1368965576.db2.gz ALUSXAUXMOZGDO-INIZCTEOSA-N 1 2 330.476 3.205 20 30 EGEDLO C#CCCCCC(=O)N1CC[NH+](Cc2cccc(OC(C)C)c2)CC1 ZINC001112772713 1368993662 /nfs/dbraw/zinc/99/36/62/1368993662.db2.gz GZCINYJWBQALDV-UHFFFAOYSA-N 1 2 342.483 3.312 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001112807172 1369018559 /nfs/dbraw/zinc/01/85/59/1369018559.db2.gz BHXBHUUQEMKQJP-ZWKOTPCHSA-N 1 2 344.503 3.431 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)CCC1CC1)c1ccccc1OC ZINC001198628606 1369076581 /nfs/dbraw/zinc/07/65/81/1369076581.db2.gz UMYRXSRQPCGJMW-MRXNPFEDSA-N 1 2 336.863 3.385 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N1CC[NH+](Cc2csc(C)c2)CC1)OCC ZINC001112906718 1369084664 /nfs/dbraw/zinc/08/46/64/1369084664.db2.gz MXDCUSOFMZHBGF-QGZVFWFLSA-N 1 2 336.501 3.072 20 30 EGEDLO C=CCOCC(=O)N[C@H](C)[C@H](C)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001112922987 1369091046 /nfs/dbraw/zinc/09/10/46/1369091046.db2.gz CGHPEIMONFEEGW-LSDHHAIUSA-N 1 2 348.491 3.231 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)c1ccccc1OC ZINC001198857544 1369131400 /nfs/dbraw/zinc/13/14/00/1369131400.db2.gz QUPNBXMNDMFGBF-WBTNSWJXSA-N 1 2 348.874 3.241 20 30 EGEDLO CCCCCCCC[C@H](C)C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001198904551 1369144798 /nfs/dbraw/zinc/14/47/98/1369144798.db2.gz HORLDDDSMHPIPE-HSSBHDEISA-N 1 2 344.927 3.287 20 30 EGEDLO CCCCCCCC[C@H](C)C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001198904551 1369144805 /nfs/dbraw/zinc/14/48/05/1369144805.db2.gz HORLDDDSMHPIPE-HSSBHDEISA-N 1 2 344.927 3.287 20 30 EGEDLO CCCCCCCC[C@@H](C)C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001198904549 1369145336 /nfs/dbraw/zinc/14/53/36/1369145336.db2.gz HORLDDDSMHPIPE-FNENMXBPSA-N 1 2 344.927 3.287 20 30 EGEDLO CCCCCCCC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001198904549 1369145342 /nfs/dbraw/zinc/14/53/42/1369145342.db2.gz HORLDDDSMHPIPE-FNENMXBPSA-N 1 2 344.927 3.287 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+](Cc2cc(F)ccc2C)CC1 ZINC001113161708 1369235961 /nfs/dbraw/zinc/23/59/61/1369235961.db2.gz ICNRJDZCVAQGBQ-HXUWFJFHSA-N 1 2 348.462 3.007 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC[NH+](Cc2cccc(OC)c2C)CC1 ZINC001113229854 1369277582 /nfs/dbraw/zinc/27/75/82/1369277582.db2.gz SKHIQOZCKDVONY-HZPDHXFCSA-N 1 2 330.472 3.106 20 30 EGEDLO CC#CCCCC(=O)N1CC[NH+]([C@H]2CCc3c2cccc3F)CC1 ZINC001113232130 1369280718 /nfs/dbraw/zinc/28/07/18/1369280718.db2.gz FDBDBGGVORZDFN-IBGZPJMESA-N 1 2 328.431 3.151 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](Cc2cccc(COC)c2)CC1 ZINC001113242064 1369287296 /nfs/dbraw/zinc/28/72/96/1369287296.db2.gz XRPVUISTNFTEBP-QGZVFWFLSA-N 1 2 330.472 3.080 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC001113243287 1369288275 /nfs/dbraw/zinc/28/82/75/1369288275.db2.gz GQPFDFIDEFJNOI-ZIAGYGMSSA-N 1 2 333.303 3.317 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H](C)[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001113255819 1369295038 /nfs/dbraw/zinc/29/50/38/1369295038.db2.gz MVPKLKJOFMXZKA-STQMWFEESA-N 1 2 330.476 3.181 20 30 EGEDLO C=CCNC(=S)NC1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC001200302323 1369344440 /nfs/dbraw/zinc/34/44/40/1369344440.db2.gz KYGYJQYGBIOAKL-UHFFFAOYSA-N 1 2 341.883 3.094 20 30 EGEDLO CC(C)(C)CCC(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001113447565 1369436615 /nfs/dbraw/zinc/43/66/15/1369436615.db2.gz DLKDYKZKSABPDQ-UHFFFAOYSA-N 1 2 343.471 3.059 20 30 EGEDLO C=CC[NH+]1CCN(C(=S)Nc2cc(Cl)ccc2Cl)CC1 ZINC001201077822 1369476599 /nfs/dbraw/zinc/47/65/99/1369476599.db2.gz LEOPNGFUVZHFMJ-UHFFFAOYSA-N 1 2 330.284 3.494 20 30 EGEDLO CCCCCCCCC(=O)N1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC001113575719 1369498367 /nfs/dbraw/zinc/49/83/67/1369498367.db2.gz ISFYBMAEWJEZNA-INIZCTEOSA-N 1 2 346.462 3.305 20 30 EGEDLO CCCCCCCCCC(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001113577053 1369499619 /nfs/dbraw/zinc/49/96/19/1369499619.db2.gz NXWPXEBMQCNCDK-UHFFFAOYSA-N 1 2 334.508 3.168 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)N(C)c2nc(C)[nH+]c(C)c2C)CCCC1 ZINC001113650317 1369543602 /nfs/dbraw/zinc/54/36/02/1369543602.db2.gz JWLIHPLQYXLKQW-CQSZACIVSA-N 1 2 344.503 3.479 20 30 EGEDLO C=CCO[C@H](C)C(=O)N1CC[NH+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC001113713029 1369581582 /nfs/dbraw/zinc/58/15/82/1369581582.db2.gz JWQIYISYIXBRQS-RDTXWAMCSA-N 1 2 348.874 3.063 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001113802279 1369613922 /nfs/dbraw/zinc/61/39/22/1369613922.db2.gz KUTITGCYSINNJA-QGZVFWFLSA-N 1 2 344.503 3.433 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)N(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001113850926 1369632885 /nfs/dbraw/zinc/63/28/85/1369632885.db2.gz CNDFYLIEBSYZMY-VLIAUNLRSA-N 1 2 344.503 3.207 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001113895414 1369649442 /nfs/dbraw/zinc/64/94/42/1369649442.db2.gz CIXUXWWLKDGUDH-OAHLLOKOSA-N 1 2 332.492 3.452 20 30 EGEDLO CCCC[C@H](CNc1cc(C)[nH+]c(C2CC2)n1)NC(=O)C#CC(C)C ZINC001114256882 1369832384 /nfs/dbraw/zinc/83/23/84/1369832384.db2.gz LQNNFAQHKZYWJC-QGZVFWFLSA-N 1 2 342.487 3.409 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001114475645 1369965650 /nfs/dbraw/zinc/96/56/50/1369965650.db2.gz SGJXXMFDAZSMLD-INIZCTEOSA-N 1 2 344.503 3.335 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)CC1(C)C ZINC001114477183 1369966675 /nfs/dbraw/zinc/96/66/75/1369966675.db2.gz RYUJPMNOAWOQTP-HNNXBMFYSA-N 1 2 344.503 3.452 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001114719173 1370044642 /nfs/dbraw/zinc/04/46/42/1370044642.db2.gz BZAZYUOTMINUEL-CUYVQJCZSA-N 1 2 345.487 3.121 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001114719173 1370044644 /nfs/dbraw/zinc/04/46/44/1370044644.db2.gz BZAZYUOTMINUEL-CUYVQJCZSA-N 1 2 345.487 3.121 20 30 EGEDLO N#Cc1c(F)cc(Nc2ccccc2C[NH+]2CCOCC2)cc1F ZINC001203675689 1370212663 /nfs/dbraw/zinc/21/26/63/1370212663.db2.gz WASWUNWYMDYJQV-UHFFFAOYSA-N 1 2 329.350 3.412 20 30 EGEDLO CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cccc(C#N)c1 ZINC001203762279 1370254685 /nfs/dbraw/zinc/25/46/85/1370254685.db2.gz CIQJMRFSNVYLDP-FQEVSTJZSA-N 1 2 347.462 3.400 20 30 EGEDLO CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1cccc(C#N)c1 ZINC001203762279 1370254687 /nfs/dbraw/zinc/25/46/87/1370254687.db2.gz CIQJMRFSNVYLDP-FQEVSTJZSA-N 1 2 347.462 3.400 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)CC(C)C ZINC001115092404 1370273039 /nfs/dbraw/zinc/27/30/39/1370273039.db2.gz YHWMNOKVKHSIMK-BYNSBNAKSA-N 1 2 343.309 3.014 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)CC(C)C ZINC001115092404 1370273046 /nfs/dbraw/zinc/27/30/46/1370273046.db2.gz YHWMNOKVKHSIMK-BYNSBNAKSA-N 1 2 343.309 3.014 20 30 EGEDLO CCCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nonc3C)C[C@H]21 ZINC001115163231 1370321621 /nfs/dbraw/zinc/32/16/21/1370321621.db2.gz DDBODOOEUJMHHH-MNZLEMJZSA-N 1 2 348.491 3.065 20 30 EGEDLO CCCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nonc3C)C[C@H]21 ZINC001115163231 1370321627 /nfs/dbraw/zinc/32/16/27/1370321627.db2.gz DDBODOOEUJMHHH-MNZLEMJZSA-N 1 2 348.491 3.065 20 30 EGEDLO CCCCCCCC[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001115272992 1370348509 /nfs/dbraw/zinc/34/85/09/1370348509.db2.gz CYWHKTFTCZPONS-DZJNRPSUSA-N 1 2 348.491 3.003 20 30 EGEDLO CCCCCCCC[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001115272992 1370348513 /nfs/dbraw/zinc/34/85/13/1370348513.db2.gz CYWHKTFTCZPONS-DZJNRPSUSA-N 1 2 348.491 3.003 20 30 EGEDLO COc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)cc(Br)c1O ZINC001204105683 1370379173 /nfs/dbraw/zinc/37/91/73/1370379173.db2.gz WXNMQGCAITUBTO-LLVKDONJSA-N 1 2 339.233 3.289 20 30 EGEDLO COc1cc(C[N@H+]2CCC[C@H](CC#N)C2)cc(Br)c1O ZINC001204105683 1370379179 /nfs/dbraw/zinc/37/91/79/1370379179.db2.gz WXNMQGCAITUBTO-LLVKDONJSA-N 1 2 339.233 3.289 20 30 EGEDLO C#CCCCC(=O)N(C)[C@@H](CNc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001115511993 1370509928 /nfs/dbraw/zinc/50/99/28/1370509928.db2.gz UHWNQGJNKQEDMZ-KRWDZBQOSA-N 1 2 342.487 3.361 20 30 EGEDLO CCCCCCCOc1ccc(-c2noc([C@H]([NH3+])[C@@H](C)O)n2)cc1 ZINC001204828977 1370585659 /nfs/dbraw/zinc/58/56/59/1370585659.db2.gz ZIIKGEFFVCEROC-CZUORRHYSA-N 1 2 333.432 3.466 20 30 EGEDLO C#CCC1(C(=O)N(C)C[C@@H](C)Nc2cc[nH+]c(C)n2)CCCCC1 ZINC001115758949 1370742049 /nfs/dbraw/zinc/74/20/49/1370742049.db2.gz XNHDAGRTXRVCKJ-OAHLLOKOSA-N 1 2 328.460 3.018 20 30 EGEDLO C=CCOCc1ncn2c1C[N@H+](Cc1cc(C)ccc1F)CCC2 ZINC001205624599 1370815157 /nfs/dbraw/zinc/81/51/57/1370815157.db2.gz YLYPAJABTCVBKE-UHFFFAOYSA-N 1 2 329.419 3.439 20 30 EGEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1cc(C)ccc1F)CCC2 ZINC001205624599 1370815161 /nfs/dbraw/zinc/81/51/61/1370815161.db2.gz YLYPAJABTCVBKE-UHFFFAOYSA-N 1 2 329.419 3.439 20 30 EGEDLO COc1cc(C#N)ccc1OCCSCc1cc[nH+]c(N(C)C)c1 ZINC001116611035 1370946385 /nfs/dbraw/zinc/94/63/85/1370946385.db2.gz QKNQNUCNBQOKEB-UHFFFAOYSA-N 1 2 343.452 3.340 20 30 EGEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1ccccc1C=NO ZINC001206539016 1371087378 /nfs/dbraw/zinc/08/73/78/1371087378.db2.gz AJALQZAAAKUITF-UHFFFAOYSA-N 1 2 326.396 3.003 20 30 EGEDLO C[C@@H](C#N)Oc1ccc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC001117815788 1371095209 /nfs/dbraw/zinc/09/52/09/1371095209.db2.gz XOVQOIYILLUYLX-HNNXBMFYSA-N 1 2 333.391 3.112 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)C=C(CC)CC)[C@@H]2C1 ZINC001187511356 1388119547 /nfs/dbraw/zinc/11/95/47/1388119547.db2.gz UMIRNKFOIBHLIL-LSDHHAIUSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)C=C(CC)CC)[C@@H]2C1 ZINC001187511356 1388119550 /nfs/dbraw/zinc/11/95/50/1388119550.db2.gz UMIRNKFOIBHLIL-LSDHHAIUSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C)s2)C[C@H]1C ZINC001207146063 1371309753 /nfs/dbraw/zinc/30/97/53/1371309753.db2.gz SKMFXJUQIKFUML-ZWNOBZJWSA-N 1 2 341.908 3.167 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ncc(C)s2)C[C@H]1C ZINC001207146063 1371309759 /nfs/dbraw/zinc/30/97/59/1371309759.db2.gz SKMFXJUQIKFUML-ZWNOBZJWSA-N 1 2 341.908 3.167 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001208388032 1371748198 /nfs/dbraw/zinc/74/81/98/1371748198.db2.gz FHBKKIXSTAITKC-SQWLQELKSA-N 1 2 331.460 3.091 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001208388032 1371748201 /nfs/dbraw/zinc/74/82/01/1371748201.db2.gz FHBKKIXSTAITKC-SQWLQELKSA-N 1 2 331.460 3.091 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccncc2)C(C)C)C1 ZINC001208415285 1371759242 /nfs/dbraw/zinc/75/92/42/1371759242.db2.gz FLKMHVNLAQOKRS-XYPHTWIQSA-N 1 2 335.879 3.010 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccncc2)C(C)C)C1 ZINC001208415285 1371759248 /nfs/dbraw/zinc/75/92/48/1371759248.db2.gz FLKMHVNLAQOKRS-XYPHTWIQSA-N 1 2 335.879 3.010 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3csc(CC)n3)C[C@H]2C)CCC1 ZINC001208506892 1371791232 /nfs/dbraw/zinc/79/12/32/1371791232.db2.gz MOUKUICGZQSUDZ-GDBMZVCRSA-N 1 2 347.528 3.388 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3csc(CC)n3)C[C@H]2C)CCC1 ZINC001208506892 1371791238 /nfs/dbraw/zinc/79/12/38/1371791238.db2.gz MOUKUICGZQSUDZ-GDBMZVCRSA-N 1 2 347.528 3.388 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ncc(C)o3)C[C@H]2C)CCC1 ZINC001208517240 1371797473 /nfs/dbraw/zinc/79/74/73/1371797473.db2.gz FGGZRVQGZCMMJO-VNQPRFMTSA-N 1 2 331.460 3.227 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3ncc(C)o3)C[C@H]2C)CCC1 ZINC001208517240 1371797477 /nfs/dbraw/zinc/79/74/77/1371797477.db2.gz FGGZRVQGZCMMJO-VNQPRFMTSA-N 1 2 331.460 3.227 20 30 EGEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCCC[C@H]1CC ZINC001121495193 1371992020 /nfs/dbraw/zinc/99/20/20/1371992020.db2.gz DHKLJXJUVFCOMO-IAGOWNOFSA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCCC[C@H]1CC ZINC001121495193 1371992023 /nfs/dbraw/zinc/99/20/23/1371992023.db2.gz DHKLJXJUVFCOMO-IAGOWNOFSA-N 1 2 347.507 3.015 20 30 EGEDLO CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C[N@@H+]1CC[C@@H](C#N)C1 ZINC001209319106 1372067023 /nfs/dbraw/zinc/06/70/23/1372067023.db2.gz XTVOBVGZPZBGSW-YJBOKZPZSA-N 1 2 341.455 3.194 20 30 EGEDLO CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C[N@H+]1CC[C@@H](C#N)C1 ZINC001209319106 1372067027 /nfs/dbraw/zinc/06/70/27/1372067027.db2.gz XTVOBVGZPZBGSW-YJBOKZPZSA-N 1 2 341.455 3.194 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2nc(CCCC)no2)C1 ZINC001209865618 1372217087 /nfs/dbraw/zinc/21/70/87/1372217087.db2.gz IVEBEPVARSAFKU-HNNXBMFYSA-N 1 2 348.491 3.095 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C3CCC3)no2)C1 ZINC001209875784 1372220459 /nfs/dbraw/zinc/22/04/59/1372220459.db2.gz SZHARZBSSCTGSV-OAHLLOKOSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)C[C@H]1CC=CCC1 ZINC001122440735 1372248260 /nfs/dbraw/zinc/24/82/60/1372248260.db2.gz JWWQDJRIXZDOCP-DLBZAZTESA-N 1 2 329.492 3.413 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N(C)C[C@H]1CC=CCC1 ZINC001122440735 1372248264 /nfs/dbraw/zinc/24/82/64/1372248264.db2.gz JWWQDJRIXZDOCP-DLBZAZTESA-N 1 2 329.492 3.413 20 30 EGEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@H](C)C(C)(C)C1 ZINC001122490900 1372259302 /nfs/dbraw/zinc/25/93/02/1372259302.db2.gz XYUIIPFFJHOGKT-HNNXBMFYSA-N 1 2 342.491 3.051 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)CC(C)C)C1 ZINC001210112519 1372274553 /nfs/dbraw/zinc/27/45/53/1372274553.db2.gz WYHBYCXPYPRZBF-VHDGCEQUSA-N 1 2 345.325 3.404 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)CC(C)C)C1 ZINC001210112519 1372274555 /nfs/dbraw/zinc/27/45/55/1372274555.db2.gz WYHBYCXPYPRZBF-VHDGCEQUSA-N 1 2 345.325 3.404 20 30 EGEDLO N#C[C@H]1C[NH2+]CCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001210122975 1372275606 /nfs/dbraw/zinc/27/56/06/1372275606.db2.gz XCGABBPCYKWHHV-LBPRGKRZSA-N 1 2 337.267 3.022 20 30 EGEDLO COc1ccccc1Sc1ccc(CN2CC[NH2+]C[C@@H]2C#N)cc1 ZINC001210122978 1372276152 /nfs/dbraw/zinc/27/61/52/1372276152.db2.gz XEWXFOFVSCPNSA-INIZCTEOSA-N 1 2 339.464 3.144 20 30 EGEDLO Cc1cc(C#N)cc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)c1 ZINC001210391168 1372340305 /nfs/dbraw/zinc/34/03/05/1372340305.db2.gz LHGONQZEIQRWNS-UHFFFAOYSA-N 1 2 348.450 3.131 20 30 EGEDLO Cc1cc(N[C@@H]2CCN(C(=O)C#CC(C)(C)C)[C@@H]2C)nc(C(C)C)[nH+]1 ZINC001122977885 1372353098 /nfs/dbraw/zinc/35/30/98/1372353098.db2.gz OUQCQIQNQRROBJ-HZPDHXFCSA-N 1 2 342.487 3.359 20 30 EGEDLO C=C(C)CCC(=O)N[C@@]12CCC[C@H]1N(c1nc(C)[nH+]c(C)c1C)CC2 ZINC001123438398 1372468545 /nfs/dbraw/zinc/46/85/45/1372468545.db2.gz HKZPJOOHHGCLHY-YLJYHZDGSA-N 1 2 342.487 3.376 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@H]1C ZINC001123626029 1372529291 /nfs/dbraw/zinc/52/92/91/1372529291.db2.gz ASAFGLQCENFZGV-DOTOQJQBSA-N 1 2 344.503 3.478 20 30 EGEDLO N#Cc1cc(Nc2ccccc2C[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC001211327888 1372531747 /nfs/dbraw/zinc/53/17/47/1372531747.db2.gz MWTUAQVZNOBAPR-UHFFFAOYSA-N 1 2 338.367 3.042 20 30 EGEDLO Fc1ccc(CN2CC[NH2+]CC(F)(F)C2)c(F)c1C(F)(F)F ZINC001211345494 1372536942 /nfs/dbraw/zinc/53/69/42/1372536942.db2.gz AMDQPEOJYQOTGJ-UHFFFAOYSA-N 1 2 330.247 3.024 20 30 EGEDLO Cc1cc(-c2noc([C@H](CO)[N@H+](C)Cc3ccccc3)n2)ccc1C#N ZINC001211571520 1372582558 /nfs/dbraw/zinc/58/25/58/1372582558.db2.gz VGONLSLFQRSLOQ-SFHVURJKSA-N 1 2 348.406 3.082 20 30 EGEDLO Cc1cc(-c2noc([C@H](CO)[N@@H+](C)Cc3ccccc3)n2)ccc1C#N ZINC001211571520 1372582559 /nfs/dbraw/zinc/58/25/59/1372582559.db2.gz VGONLSLFQRSLOQ-SFHVURJKSA-N 1 2 348.406 3.082 20 30 EGEDLO N#Cc1ccc(-c2noc([C@@H]3CC[NH2+]CC3(F)F)n2)c2ccccc12 ZINC001211579847 1372584966 /nfs/dbraw/zinc/58/49/66/1372584966.db2.gz KCPRISKXJFTSHW-HNNXBMFYSA-N 1 2 340.333 3.474 20 30 EGEDLO C#CCCCCC(=O)N(CCN(C)c1nc(C)[nH+]c(C)c1C)C(C)C ZINC001125515263 1372799483 /nfs/dbraw/zinc/79/94/83/1372799483.db2.gz XQRWUANYYWELCW-UHFFFAOYSA-N 1 2 344.503 3.269 20 30 EGEDLO C#Cc1ccccc1Nc1ccc(OCC[NH+]2CCOCC2)cc1F ZINC001213486993 1372912160 /nfs/dbraw/zinc/91/21/60/1372912160.db2.gz AXHZGOCPTJQWQQ-UHFFFAOYSA-N 1 2 340.398 3.262 20 30 EGEDLO C#CCCCCCC(=O)N[C@H](C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001126667167 1372994230 /nfs/dbraw/zinc/99/42/30/1372994230.db2.gz AZBWFFLNKOGJPA-MRXNPFEDSA-N 1 2 342.487 3.090 20 30 EGEDLO C=CCCC(=O)N[C@@H](C)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001126711831 1373004034 /nfs/dbraw/zinc/00/40/34/1373004034.db2.gz VENUWJXMAPTVNR-HNNXBMFYSA-N 1 2 330.476 3.089 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001188087691 1388239354 /nfs/dbraw/zinc/23/93/54/1388239354.db2.gz XEFSTRBCTWZODH-JKSUJKDBSA-N 1 2 345.487 3.361 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001188087691 1388239358 /nfs/dbraw/zinc/23/93/58/1388239358.db2.gz XEFSTRBCTWZODH-JKSUJKDBSA-N 1 2 345.487 3.361 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC1(C2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC001127141355 1373097166 /nfs/dbraw/zinc/09/71/66/1373097166.db2.gz UHEYTDCZCDKIBZ-HNNXBMFYSA-N 1 2 342.487 3.253 20 30 EGEDLO C=CCCC(=O)NCc1ccc(CNc2cc[nH+]c(C)n2)cc1F ZINC001127791765 1373181476 /nfs/dbraw/zinc/18/14/76/1373181476.db2.gz SIOGJFFOARQAAN-UHFFFAOYSA-N 1 2 328.391 3.119 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)C[C@@H]3C[C@H]3C)c2C1 ZINC001128470161 1373273332 /nfs/dbraw/zinc/27/33/32/1373273332.db2.gz CNCKKSUTMLLHRG-SJORKVTESA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)C[C@@H]3C[C@H]3C)c2C1 ZINC001128470161 1373273336 /nfs/dbraw/zinc/27/33/36/1373273336.db2.gz CNCKKSUTMLLHRG-SJORKVTESA-N 1 2 344.503 3.107 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCc1cnn2c1C[N@H+](CC/C=C\CC)CC2 ZINC001128481149 1373275596 /nfs/dbraw/zinc/27/55/96/1373275596.db2.gz KVKARDLDWKGINL-GWQNQTGSSA-N 1 2 344.503 3.274 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCc1cnn2c1C[N@@H+](CC/C=C\CC)CC2 ZINC001128481149 1373275599 /nfs/dbraw/zinc/27/55/99/1373275599.db2.gz KVKARDLDWKGINL-GWQNQTGSSA-N 1 2 344.503 3.274 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)CCCCCC(C)C)c2C1 ZINC001128513444 1373280470 /nfs/dbraw/zinc/28/04/70/1373280470.db2.gz XUBMPVNQLSCYJO-UHFFFAOYSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)CCCCCC(C)C)c2C1 ZINC001128513444 1373280475 /nfs/dbraw/zinc/28/04/75/1373280475.db2.gz XUBMPVNQLSCYJO-UHFFFAOYSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C[C@@H]3CCCC[C@@H]3C)c2C1 ZINC001128612834 1373297733 /nfs/dbraw/zinc/29/77/33/1373297733.db2.gz VIEPRSJODZFXEC-IRXDYDNUSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C[C@@H]3CCCC[C@@H]3C)c2C1 ZINC001128612834 1373297735 /nfs/dbraw/zinc/29/77/35/1373297735.db2.gz VIEPRSJODZFXEC-IRXDYDNUSA-N 1 2 344.503 3.107 20 30 EGEDLO COc1cc(C#N)ccc1-c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001216905176 1373362041 /nfs/dbraw/zinc/36/20/41/1373362041.db2.gz XBMHPNDQALAEBT-UHFFFAOYSA-N 1 2 343.346 3.470 20 30 EGEDLO C=CCC[C@@H](C)[N@@H+]1Cc2cnn(C3CCN(C(=O)C4CC4)CC3)c2C1 ZINC001130160869 1373465672 /nfs/dbraw/zinc/46/56/72/1373465672.db2.gz GLNKZOJZWMSVFF-OAHLLOKOSA-N 1 2 342.487 3.127 20 30 EGEDLO C=CCC[C@@H](C)[N@H+]1Cc2cnn(C3CCN(C(=O)C4CC4)CC3)c2C1 ZINC001130160869 1373465676 /nfs/dbraw/zinc/46/56/76/1373465676.db2.gz GLNKZOJZWMSVFF-OAHLLOKOSA-N 1 2 342.487 3.127 20 30 EGEDLO C=CCCC[N@@H+]1Cc2cnn(C3CCN(C(=O)/C(C)=C\C)CC3)c2C1 ZINC001130163872 1373466430 /nfs/dbraw/zinc/46/64/30/1373466430.db2.gz WEKJCHYZMAXCPM-BNCCVWRVSA-N 1 2 342.487 3.295 20 30 EGEDLO C=CCCC[N@H+]1Cc2cnn(C3CCN(C(=O)/C(C)=C\C)CC3)c2C1 ZINC001130163872 1373466433 /nfs/dbraw/zinc/46/64/33/1373466433.db2.gz WEKJCHYZMAXCPM-BNCCVWRVSA-N 1 2 342.487 3.295 20 30 EGEDLO C=CCCC(=O)N1CCC(n2ncc3c2C[N@H+](C[C@@H](C)CC)C3)CC1 ZINC001130163967 1373466628 /nfs/dbraw/zinc/46/66/28/1373466628.db2.gz ZVQIKDMPKHBNHR-INIZCTEOSA-N 1 2 344.503 3.375 20 30 EGEDLO C=CCCC(=O)N1CCC(n2ncc3c2C[N@@H+](C[C@@H](C)CC)C3)CC1 ZINC001130163967 1373466631 /nfs/dbraw/zinc/46/66/31/1373466631.db2.gz ZVQIKDMPKHBNHR-INIZCTEOSA-N 1 2 344.503 3.375 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)CC(C)(C)CC)C[C@H](C)O2 ZINC001131661614 1373750323 /nfs/dbraw/zinc/75/03/23/1373750323.db2.gz OSTUBDHXNAWIGG-YJBOKZPZSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CC(C)(C)CC)C[C@H](C)O2 ZINC001131661614 1373750330 /nfs/dbraw/zinc/75/03/30/1373750330.db2.gz OSTUBDHXNAWIGG-YJBOKZPZSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)CCCC1CC1)C[C@H](C)O2 ZINC001131672803 1373754757 /nfs/dbraw/zinc/75/47/57/1373754757.db2.gz BBIKMJCBGUDYDU-YJBOKZPZSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CCCC1CC1)C[C@H](C)O2 ZINC001131672803 1373754761 /nfs/dbraw/zinc/75/47/61/1373754761.db2.gz BBIKMJCBGUDYDU-YJBOKZPZSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)C1(CCC)CC1)C[C@H](C)O2 ZINC001131681910 1373759867 /nfs/dbraw/zinc/75/98/67/1373759867.db2.gz KCHCNFYCPRXXDE-MAUKXSAKSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1(CCC)CC1)C[C@H](C)O2 ZINC001131681910 1373759880 /nfs/dbraw/zinc/75/98/80/1373759880.db2.gz KCHCNFYCPRXXDE-MAUKXSAKSA-N 1 2 340.895 3.011 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001131977445 1375080072 /nfs/dbraw/zinc/08/00/72/1375080072.db2.gz XKIGYNCUZFFBSX-MSOLQXFVSA-N 1 2 344.503 3.127 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001131977445 1375080079 /nfs/dbraw/zinc/08/00/79/1375080079.db2.gz XKIGYNCUZFFBSX-MSOLQXFVSA-N 1 2 344.503 3.127 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2csc(CC)n2)C1 ZINC001131976602 1375080107 /nfs/dbraw/zinc/08/01/07/1375080107.db2.gz NFDOOYCSXCAOPA-CVEARBPZSA-N 1 2 347.528 3.368 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2csc(CC)n2)C1 ZINC001131976602 1375080113 /nfs/dbraw/zinc/08/01/13/1375080113.db2.gz NFDOOYCSXCAOPA-CVEARBPZSA-N 1 2 347.528 3.368 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001132002618 1375093840 /nfs/dbraw/zinc/09/38/40/1375093840.db2.gz LLXDTUMTLCIWFC-GOEBONIOSA-N 1 2 333.863 3.008 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001132002618 1375093845 /nfs/dbraw/zinc/09/38/45/1375093845.db2.gz LLXDTUMTLCIWFC-GOEBONIOSA-N 1 2 333.863 3.008 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2cc(F)cnc2Cl)C1 ZINC001226111207 1375204818 /nfs/dbraw/zinc/20/48/18/1375204818.db2.gz SIHLTVMCEXSGHI-HNNXBMFYSA-N 1 2 331.778 3.399 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2cc(F)cnc2Cl)C1 ZINC001226111207 1375204823 /nfs/dbraw/zinc/20/48/23/1375204823.db2.gz SIHLTVMCEXSGHI-HNNXBMFYSA-N 1 2 331.778 3.399 20 30 EGEDLO C=C/C(C)=C\CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=C)Br)C1 ZINC001132228950 1375225196 /nfs/dbraw/zinc/22/51/96/1375225196.db2.gz YLFVWYZZTRRDDB-SYGOVTOWSA-N 1 2 341.293 3.387 20 30 EGEDLO C=C/C(C)=C\CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=C)Br)C1 ZINC001132228950 1375225199 /nfs/dbraw/zinc/22/51/99/1375225199.db2.gz YLFVWYZZTRRDDB-SYGOVTOWSA-N 1 2 341.293 3.387 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cccc(Cl)n2)C1 ZINC001132234950 1375229994 /nfs/dbraw/zinc/22/99/94/1375229994.db2.gz HMUYQWQWWOUHGJ-RDJZCZTQSA-N 1 2 347.890 3.398 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001132234950 1375229996 /nfs/dbraw/zinc/22/99/96/1375229996.db2.gz HMUYQWQWWOUHGJ-RDJZCZTQSA-N 1 2 347.890 3.398 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccncc2Cl)C1 ZINC001132235414 1375230743 /nfs/dbraw/zinc/23/07/43/1375230743.db2.gz NCFBFQDYAMITJC-RDJZCZTQSA-N 1 2 347.890 3.398 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccncc2Cl)C1 ZINC001132235414 1375230746 /nfs/dbraw/zinc/23/07/46/1375230746.db2.gz NCFBFQDYAMITJC-RDJZCZTQSA-N 1 2 347.890 3.398 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cc3n(n2)CCCC3)C1 ZINC001132255656 1375249295 /nfs/dbraw/zinc/24/92/95/1375249295.db2.gz CTUZZCJHQZVCGI-DLBZAZTESA-N 1 2 344.503 3.045 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cc3n(n2)CCCC3)C1 ZINC001132255656 1375249296 /nfs/dbraw/zinc/24/92/96/1375249296.db2.gz CTUZZCJHQZVCGI-DLBZAZTESA-N 1 2 344.503 3.045 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001132255739 1375249552 /nfs/dbraw/zinc/24/95/52/1375249552.db2.gz DVMDWNVKTFTFEV-JKSUJKDBSA-N 1 2 345.487 3.379 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001132255739 1375249563 /nfs/dbraw/zinc/24/95/63/1375249563.db2.gz DVMDWNVKTFTFEV-JKSUJKDBSA-N 1 2 345.487 3.379 20 30 EGEDLO C#C[C@@H](C)Oc1cccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001226470503 1375263688 /nfs/dbraw/zinc/26/36/88/1375263688.db2.gz ZCPSBGFRDKKWSA-MRXNPFEDSA-N 1 2 344.455 3.140 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)C[C@@H](C)CCC)CC1 ZINC001226493991 1375269050 /nfs/dbraw/zinc/26/90/50/1375269050.db2.gz OFDLMEHPQGMZSN-LBPRGKRZSA-N 1 2 331.298 3.302 20 30 EGEDLO CC(=O)c1c(O)cccc1O[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001226772588 1375330258 /nfs/dbraw/zinc/33/02/58/1375330258.db2.gz AVWNYNCANDLZCH-QGZVFWFLSA-N 1 2 336.391 3.120 20 30 EGEDLO CC(=O)c1c(O)cccc1O[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001226772588 1375330263 /nfs/dbraw/zinc/33/02/63/1375330263.db2.gz AVWNYNCANDLZCH-QGZVFWFLSA-N 1 2 336.391 3.120 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCc2scnc2C)CC[C@@H]1C ZINC001132392428 1375347686 /nfs/dbraw/zinc/34/76/86/1375347686.db2.gz KGZWCXLJUXTERK-GXTWGEPZSA-N 1 2 341.908 3.106 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCc2scnc2C)CC[C@@H]1C ZINC001132392428 1375347688 /nfs/dbraw/zinc/34/76/88/1375347688.db2.gz KGZWCXLJUXTERK-GXTWGEPZSA-N 1 2 341.908 3.106 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2ccc3c(c2)CCC(=O)C3)C1 ZINC001227045354 1375381889 /nfs/dbraw/zinc/38/18/89/1375381889.db2.gz QCFGOWZBFGVBOL-JOCHJYFZSA-N 1 2 346.430 3.269 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccc3c(c2)CCC(=O)C3)C1 ZINC001227045354 1375381897 /nfs/dbraw/zinc/38/18/97/1375381897.db2.gz QCFGOWZBFGVBOL-JOCHJYFZSA-N 1 2 346.430 3.269 20 30 EGEDLO C#CCCCC(=O)NC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC001227085077 1375387128 /nfs/dbraw/zinc/38/71/28/1375387128.db2.gz WVMMRCBWQKKPDJ-UHFFFAOYSA-N 1 2 336.838 3.363 20 30 EGEDLO CC(C)C#CC(=O)NC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC001227232556 1375409607 /nfs/dbraw/zinc/40/96/07/1375409607.db2.gz GERPRXNRMNRZTK-UHFFFAOYSA-N 1 2 336.838 3.219 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2(CCOC)CCCC2)CC[C@H]1C ZINC001132525762 1375441464 /nfs/dbraw/zinc/44/14/64/1375441464.db2.gz VLPSAYDYZSDNRA-HZPDHXFCSA-N 1 2 342.911 3.305 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2(CCOC)CCCC2)CC[C@H]1C ZINC001132525762 1375441469 /nfs/dbraw/zinc/44/14/69/1375441469.db2.gz VLPSAYDYZSDNRA-HZPDHXFCSA-N 1 2 342.911 3.305 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC1CC[NH+]([C@H](C)c2nnc(C)s2)CC1 ZINC001228589730 1375607606 /nfs/dbraw/zinc/60/76/06/1375607606.db2.gz YGUCSQBIBSTZBD-GFCCVEGCSA-N 1 2 336.505 3.090 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccn(C(C)C)n2)CC1 ZINC001228749674 1375662230 /nfs/dbraw/zinc/66/22/30/1375662230.db2.gz UQSAOMVFDRWREQ-JKSUJKDBSA-N 1 2 332.492 3.003 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC1CC[NH+]([C@H](C)c2nc(C3CC3)no2)CC1 ZINC001229016965 1375739382 /nfs/dbraw/zinc/73/93/82/1375739382.db2.gz OOYYBCKPUVTDHG-YJYMSZOUSA-N 1 2 346.475 3.191 20 30 EGEDLO C=CCCC1(C(=O)NC2CC[NH+]([C@@H](C)c3nc(CC)no3)CC2)CC1 ZINC001229048273 1375750403 /nfs/dbraw/zinc/75/04/03/1375750403.db2.gz BAARIMASSIGXNT-AWEZNQCLSA-N 1 2 346.475 3.020 20 30 EGEDLO CC(C)C1(C(=O)NC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)CC1 ZINC001229124066 1375768231 /nfs/dbraw/zinc/76/82/31/1375768231.db2.gz BJYLEUFQTXYTOV-UHFFFAOYSA-N 1 2 343.446 3.214 20 30 EGEDLO CC[C@@H](COC)Oc1nc(C)c(-c2ccc3[nH+]ccn3c2)cc1C#N ZINC001229769430 1375889669 /nfs/dbraw/zinc/88/96/69/1375889669.db2.gz RGDRUWPTYMKWLK-INIZCTEOSA-N 1 2 336.395 3.380 20 30 EGEDLO N#Cc1cc(F)c(F)cc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001229838117 1375900883 /nfs/dbraw/zinc/90/08/83/1375900883.db2.gz FVEHFIFNONFVIW-INIZCTEOSA-N 1 2 344.361 3.116 20 30 EGEDLO N#Cc1cc(F)c(F)cc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001229838117 1375900890 /nfs/dbraw/zinc/90/08/90/1375900890.db2.gz FVEHFIFNONFVIW-INIZCTEOSA-N 1 2 344.361 3.116 20 30 EGEDLO C=C[C@@H](C(=O)NC1CC[NH+](Cc2cc(C)on2)CC1)c1ccccc1 ZINC001230332209 1375998832 /nfs/dbraw/zinc/99/88/32/1375998832.db2.gz YITPRNMGUHGCPL-LJQANCHMSA-N 1 2 339.439 3.033 20 30 EGEDLO C=C[C@H](C(=O)NC1CC[NH+](Cc2nccs2)CC1)c1ccccc1 ZINC001230332017 1375999458 /nfs/dbraw/zinc/99/94/58/1375999458.db2.gz OBWSQVXODFVTGG-KRWDZBQOSA-N 1 2 341.480 3.194 20 30 EGEDLO C#C[C@H](CCC)Oc1ccc2c(c1)[C@H]1OCC[N@H+](CCC)[C@@H]1CO2 ZINC001230427640 1376027770 /nfs/dbraw/zinc/02/77/70/1376027770.db2.gz PGXONVXCOVUXKU-XFQXTVEOSA-N 1 2 329.440 3.412 20 30 EGEDLO C#C[C@H](CCC)Oc1ccc2c(c1)[C@H]1OCC[N@@H+](CCC)[C@@H]1CO2 ZINC001230427640 1376027779 /nfs/dbraw/zinc/02/77/79/1376027779.db2.gz PGXONVXCOVUXKU-XFQXTVEOSA-N 1 2 329.440 3.412 20 30 EGEDLO C[C@@H](C[C@H](C)[NH2+]CC(F)(F)C(F)F)NC(=O)CCC(F)(F)F ZINC001134004665 1376306464 /nfs/dbraw/zinc/30/64/64/1376306464.db2.gz SDXRSDONZLEYLU-YUMQZZPRSA-N 1 2 340.283 3.102 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232117342 1376402196 /nfs/dbraw/zinc/40/21/96/1376402196.db2.gz WTVHNGNMBZZGAF-OAHLLOKOSA-N 1 2 333.819 3.088 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232117342 1376402200 /nfs/dbraw/zinc/40/22/00/1376402200.db2.gz WTVHNGNMBZZGAF-OAHLLOKOSA-N 1 2 333.819 3.088 20 30 EGEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2cc(C)ccc2OC(C)C)CC1 ZINC001232397815 1376455225 /nfs/dbraw/zinc/45/52/25/1376455225.db2.gz CSHZLFORCGGAGE-UHFFFAOYSA-N 1 2 344.455 3.451 20 30 EGEDLO C#C[C@@H]1CCC[N@@H+](Cc2ccc(I)c(F)c2)C1 ZINC001232492072 1376467779 /nfs/dbraw/zinc/46/77/79/1376467779.db2.gz LDLWWOFTMQMXQK-LLVKDONJSA-N 1 2 343.183 3.276 20 30 EGEDLO C#C[C@@H]1CCC[N@H+](Cc2ccc(I)c(F)c2)C1 ZINC001232492072 1376467785 /nfs/dbraw/zinc/46/77/85/1376467785.db2.gz LDLWWOFTMQMXQK-LLVKDONJSA-N 1 2 343.183 3.276 20 30 EGEDLO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232673490 1376498235 /nfs/dbraw/zinc/49/82/35/1376498235.db2.gz IADGDFBQASCJJB-AWEZNQCLSA-N 1 2 345.443 3.095 20 30 EGEDLO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232673490 1376498241 /nfs/dbraw/zinc/49/82/41/1376498241.db2.gz IADGDFBQASCJJB-AWEZNQCLSA-N 1 2 345.443 3.095 20 30 EGEDLO COC[C@H](C)[N@H+](Cc1cccc(OC)c1)Cc1cc(C#N)ccc1O ZINC001232678468 1376500009 /nfs/dbraw/zinc/50/00/09/1376500009.db2.gz HBJGJUPRKBCUSA-HNNXBMFYSA-N 1 2 340.423 3.310 20 30 EGEDLO COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)Cc1cc(C#N)ccc1O ZINC001232678468 1376500011 /nfs/dbraw/zinc/50/00/11/1376500011.db2.gz HBJGJUPRKBCUSA-HNNXBMFYSA-N 1 2 340.423 3.310 20 30 EGEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cccc(C#N)n1 ZINC001232926606 1376538965 /nfs/dbraw/zinc/53/89/65/1376538965.db2.gz VUYVCQSVOOOLGZ-JLSDUUJJSA-N 1 2 341.455 3.428 20 30 EGEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cccc(C#N)n1 ZINC001232926606 1376538969 /nfs/dbraw/zinc/53/89/69/1376538969.db2.gz VUYVCQSVOOOLGZ-JLSDUUJJSA-N 1 2 341.455 3.428 20 30 EGEDLO Cc1ccc(C[N@@H+]2CCCC23CN(C(=O)OC(C)(C)C)C3)c(C#N)c1 ZINC001232963506 1376548694 /nfs/dbraw/zinc/54/86/94/1376548694.db2.gz IAAFRAOHBCYZOV-UHFFFAOYSA-N 1 2 341.455 3.452 20 30 EGEDLO Cc1ccc(C[N@H+]2CCCC23CN(C(=O)OC(C)(C)C)C3)c(C#N)c1 ZINC001232963506 1376548697 /nfs/dbraw/zinc/54/86/97/1376548697.db2.gz IAAFRAOHBCYZOV-UHFFFAOYSA-N 1 2 341.455 3.452 20 30 EGEDLO Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3ccccc3)CC2)c(C#N)c1 ZINC001232968384 1376549965 /nfs/dbraw/zinc/54/99/65/1376549965.db2.gz HYGFERSEGUMYAX-UHFFFAOYSA-N 1 2 347.462 3.144 20 30 EGEDLO Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3ccccc3)CC2)c(C#N)c1 ZINC001232968384 1376549967 /nfs/dbraw/zinc/54/99/67/1376549967.db2.gz HYGFERSEGUMYAX-UHFFFAOYSA-N 1 2 347.462 3.144 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C1 ZINC001233082449 1376568216 /nfs/dbraw/zinc/56/82/16/1376568216.db2.gz CACBIABZCKLNPG-DLBZAZTESA-N 1 2 347.434 3.304 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C1 ZINC001233082449 1376568221 /nfs/dbraw/zinc/56/82/21/1376568221.db2.gz CACBIABZCKLNPG-DLBZAZTESA-N 1 2 347.434 3.304 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1)C(=O)/C=C/C1CC1 ZINC001233502980 1376656426 /nfs/dbraw/zinc/65/64/26/1376656426.db2.gz UZCQDKUGCPELJH-BLRBJFNZSA-N 1 2 342.870 3.190 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1)C(=O)/C=C/C1CC1 ZINC001233502980 1376656429 /nfs/dbraw/zinc/65/64/29/1376656429.db2.gz UZCQDKUGCPELJH-BLRBJFNZSA-N 1 2 342.870 3.190 20 30 EGEDLO CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234196312 1376784386 /nfs/dbraw/zinc/78/43/86/1376784386.db2.gz RDSUZRKQYJAOAZ-LPHOPBHVSA-N 1 2 346.421 3.362 20 30 EGEDLO CC[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234196312 1376784390 /nfs/dbraw/zinc/78/43/90/1376784390.db2.gz RDSUZRKQYJAOAZ-LPHOPBHVSA-N 1 2 346.421 3.362 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCNC(=O)CC1=CCCCC1 ZINC001235766523 1376890744 /nfs/dbraw/zinc/89/07/44/1376890744.db2.gz KDMORWSDIWWABL-UHFFFAOYSA-N 1 2 329.282 3.224 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCNC(=O)CC1=CCCCC1 ZINC001235766523 1376890748 /nfs/dbraw/zinc/89/07/48/1376890748.db2.gz KDMORWSDIWWABL-UHFFFAOYSA-N 1 2 329.282 3.224 20 30 EGEDLO C=CC1(CC(=O)NCC[NH2+][C@H](C)c2nc(C(C)C)no2)CCCCC1 ZINC001135197012 1376968179 /nfs/dbraw/zinc/96/81/79/1376968179.db2.gz SPTZUNFVSJCJAQ-OAHLLOKOSA-N 1 2 348.491 3.486 20 30 EGEDLO CCOC[C@@H]1Cn2nccc2C[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC001238081864 1376993472 /nfs/dbraw/zinc/99/34/72/1376993472.db2.gz FLNSQQXXZXXFDA-HNNXBMFYSA-N 1 2 344.846 3.077 20 30 EGEDLO CCOC[C@@H]1Cn2nccc2C[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC001238081864 1376993473 /nfs/dbraw/zinc/99/34/73/1376993473.db2.gz FLNSQQXXZXXFDA-HNNXBMFYSA-N 1 2 344.846 3.077 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)CCC ZINC001266480028 1377318414 /nfs/dbraw/zinc/31/84/14/1377318414.db2.gz IKTJPYHDKVRTTN-CYBMUJFWSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)CCC ZINC001266480028 1377318415 /nfs/dbraw/zinc/31/84/15/1377318415.db2.gz IKTJPYHDKVRTTN-CYBMUJFWSA-N 1 2 331.298 3.302 20 30 EGEDLO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ncc(Cl)s1)C2 ZINC001137106619 1377479854 /nfs/dbraw/zinc/47/98/54/1377479854.db2.gz MXDUAGXRTRZMQS-XJKSGUPXSA-N 1 2 342.892 3.370 20 30 EGEDLO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1ncc(Cl)s1)C2 ZINC001137106619 1377479855 /nfs/dbraw/zinc/47/98/55/1377479855.db2.gz MXDUAGXRTRZMQS-XJKSGUPXSA-N 1 2 342.892 3.370 20 30 EGEDLO C#CCOc1ccc(C[N@H+]2CCC[C@H]2C(=O)OCc2ccccc2)cc1 ZINC001138556189 1377741788 /nfs/dbraw/zinc/74/17/88/1377741788.db2.gz JMUALEACSSEHRI-NRFANRHFSA-N 1 2 349.430 3.406 20 30 EGEDLO C#CCOc1ccc(C[N@@H+]2CCC[C@H]2C(=O)OCc2ccccc2)cc1 ZINC001138556189 1377741789 /nfs/dbraw/zinc/74/17/89/1377741789.db2.gz JMUALEACSSEHRI-NRFANRHFSA-N 1 2 349.430 3.406 20 30 EGEDLO C#CCOc1ccc(C[NH+]2CCN(C(=O)Nc3ccccc3)CC2)cc1 ZINC001138558924 1377742194 /nfs/dbraw/zinc/74/21/94/1377742194.db2.gz KVOUOVMIFLRSGY-UHFFFAOYSA-N 1 2 349.434 3.048 20 30 EGEDLO COc1cc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)ccc1OC(C)C ZINC001138572444 1377745137 /nfs/dbraw/zinc/74/51/37/1377745137.db2.gz SGEXXYAHXNGIOK-QGZVFWFLSA-N 1 2 333.453 3.257 20 30 EGEDLO C=CCc1cccc(C[N@H+](C)CC(=O)OCc2ccccc2)c1O ZINC001138631621 1377758402 /nfs/dbraw/zinc/75/84/02/1377758402.db2.gz VPOJUFXVIFESGN-UHFFFAOYSA-N 1 2 325.408 3.296 20 30 EGEDLO C=CCc1cccc(C[N@@H+](C)CC(=O)OCc2ccccc2)c1O ZINC001138631621 1377758404 /nfs/dbraw/zinc/75/84/04/1377758404.db2.gz VPOJUFXVIFESGN-UHFFFAOYSA-N 1 2 325.408 3.296 20 30 EGEDLO CCOc1ccc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)c(OCC)c1 ZINC001138981765 1377812431 /nfs/dbraw/zinc/81/24/31/1377812431.db2.gz WFIXPAKOZVMQKW-QGZVFWFLSA-N 1 2 333.453 3.258 20 30 EGEDLO CCOc1ccc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)c(OCC)c1 ZINC001138981765 1377812435 /nfs/dbraw/zinc/81/24/35/1377812435.db2.gz WFIXPAKOZVMQKW-QGZVFWFLSA-N 1 2 333.453 3.258 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C[N@@H+]2Cc2cc(C#N)ccc2F)C1 ZINC001139645999 1377924962 /nfs/dbraw/zinc/92/49/62/1377924962.db2.gz IRUNFWSHHQWHDH-NVXWUHKLSA-N 1 2 345.418 3.139 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C[N@H+]2Cc2cc(C#N)ccc2F)C1 ZINC001139645999 1377924964 /nfs/dbraw/zinc/92/49/64/1377924964.db2.gz IRUNFWSHHQWHDH-NVXWUHKLSA-N 1 2 345.418 3.139 20 30 EGEDLO CC(C)(C)OC(=O)NCC1(C)C[NH+](Cc2cc(F)cc(C#N)c2)C1 ZINC001139878646 1377969981 /nfs/dbraw/zinc/96/99/81/1377969981.db2.gz RHHUFOFGCQRYPJ-UHFFFAOYSA-N 1 2 333.407 3.044 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2OC)C1 ZINC001140065195 1378000131 /nfs/dbraw/zinc/00/01/31/1378000131.db2.gz CIMYQMHARRTVLC-AWEZNQCLSA-N 1 2 338.835 3.225 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cccc(Cl)c2OC)C1 ZINC001140065195 1378000132 /nfs/dbraw/zinc/00/01/32/1378000132.db2.gz CIMYQMHARRTVLC-AWEZNQCLSA-N 1 2 338.835 3.225 20 30 EGEDLO C[N@H+](Cc1cn(C(=O)OC(C)(C)C)c2ccc(C#N)cc12)C1COC1 ZINC001140440018 1378062913 /nfs/dbraw/zinc/06/29/13/1378062913.db2.gz UNYSPGUWNQRWME-UHFFFAOYSA-N 1 2 341.411 3.127 20 30 EGEDLO C[N@@H+](Cc1cn(C(=O)OC(C)(C)C)c2ccc(C#N)cc12)C1COC1 ZINC001140440018 1378062915 /nfs/dbraw/zinc/06/29/15/1378062915.db2.gz UNYSPGUWNQRWME-UHFFFAOYSA-N 1 2 341.411 3.127 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cn1 ZINC001140540883 1378081335 /nfs/dbraw/zinc/08/13/35/1378081335.db2.gz PZTCLWJZJMUMOQ-UHFFFAOYSA-N 1 2 346.356 3.294 20 30 EGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 ZINC001141165613 1378257389 /nfs/dbraw/zinc/25/73/89/1378257389.db2.gz DJEFHKIOKRJQHF-WOJBJXKFSA-N 1 2 349.409 3.467 20 30 EGEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 ZINC001141165613 1378257393 /nfs/dbraw/zinc/25/73/93/1378257393.db2.gz DJEFHKIOKRJQHF-WOJBJXKFSA-N 1 2 349.409 3.467 20 30 EGEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccc(C)cc1F)CC2 ZINC001141193321 1378264313 /nfs/dbraw/zinc/26/43/13/1378264313.db2.gz LDQBQPAJPKXTKF-UHFFFAOYSA-N 1 2 329.419 3.129 20 30 EGEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccc(C)cc1F)CC2 ZINC001141193321 1378264318 /nfs/dbraw/zinc/26/43/18/1378264318.db2.gz LDQBQPAJPKXTKF-UHFFFAOYSA-N 1 2 329.419 3.129 20 30 EGEDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141290067 1378293371 /nfs/dbraw/zinc/29/33/71/1378293371.db2.gz ZPCGPVLQPKEAPN-IBGZPJMESA-N 1 2 336.391 3.488 20 30 EGEDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141290067 1378293372 /nfs/dbraw/zinc/29/33/72/1378293372.db2.gz ZPCGPVLQPKEAPN-IBGZPJMESA-N 1 2 336.391 3.488 20 30 EGEDLO CC(C)C(=O)N1CCC[C@]12CC[N@H+](Cc1c(F)ccc(C#N)c1F)C2 ZINC001143170463 1378553138 /nfs/dbraw/zinc/55/31/38/1378553138.db2.gz GODYNUYRUACGFR-LJQANCHMSA-N 1 2 347.409 3.059 20 30 EGEDLO CC(C)C(=O)N1CCC[C@]12CC[N@@H+](Cc1c(F)ccc(C#N)c1F)C2 ZINC001143170463 1378553143 /nfs/dbraw/zinc/55/31/43/1378553143.db2.gz GODYNUYRUACGFR-LJQANCHMSA-N 1 2 347.409 3.059 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CCc2cc(F)ccc2F)C1 ZINC001282739509 1378590354 /nfs/dbraw/zinc/59/03/54/1378590354.db2.gz LKXABEPCLORQQJ-GFCCVEGCSA-N 1 2 342.817 3.086 20 30 EGEDLO CC(=O)N(C(C)C)C1CC[NH+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143731695 1378639245 /nfs/dbraw/zinc/63/92/45/1378639245.db2.gz BCWXMOLONBGTGO-UHFFFAOYSA-N 1 2 333.863 3.433 20 30 EGEDLO N#C[C@H]1CCC[N@@H+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144306688 1378714167 /nfs/dbraw/zinc/71/41/67/1378714167.db2.gz MFXQZTXRQXOVDY-JTQLQIEISA-N 1 2 327.197 3.419 20 30 EGEDLO N#C[C@H]1CCC[N@H+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144306688 1378714170 /nfs/dbraw/zinc/71/41/70/1378714170.db2.gz MFXQZTXRQXOVDY-JTQLQIEISA-N 1 2 327.197 3.419 20 30 EGEDLO COc1ncc(C[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)cc1F ZINC001144466847 1378735085 /nfs/dbraw/zinc/73/50/85/1378735085.db2.gz RXGIJYLIIVQQEP-INIZCTEOSA-N 1 2 341.386 3.144 20 30 EGEDLO COc1ncc(C[N@H+]2CCC[C@H](Oc3ccccc3C#N)C2)cc1F ZINC001144466847 1378735087 /nfs/dbraw/zinc/73/50/87/1378735087.db2.gz RXGIJYLIIVQQEP-INIZCTEOSA-N 1 2 341.386 3.144 20 30 EGEDLO C=CCCC(=O)N1CC2(C1)CC[N@H+](Cc1csc(C3CC3)n1)C2 ZINC001147159723 1378979344 /nfs/dbraw/zinc/97/93/44/1378979344.db2.gz XAUFBJOUSGVDGV-UHFFFAOYSA-N 1 2 331.485 3.021 20 30 EGEDLO C=CCCC(=O)N1CC2(C1)CC[N@@H+](Cc1csc(C3CC3)n1)C2 ZINC001147159723 1378979349 /nfs/dbraw/zinc/97/93/49/1378979349.db2.gz XAUFBJOUSGVDGV-UHFFFAOYSA-N 1 2 331.485 3.021 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)CCCCCC)C2)C1 ZINC001148699751 1379245920 /nfs/dbraw/zinc/24/59/20/1379245920.db2.gz IKOWOWVNMVBQQC-UHFFFAOYSA-N 1 2 343.309 3.400 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)CCCCCC)C2)C1 ZINC001148699751 1379245922 /nfs/dbraw/zinc/24/59/22/1379245922.db2.gz IKOWOWVNMVBQQC-UHFFFAOYSA-N 1 2 343.309 3.400 20 30 EGEDLO CC(C)Oc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C#N ZINC001148771799 1379265836 /nfs/dbraw/zinc/26/58/36/1379265836.db2.gz GXHAIIZDFZILRO-OAHLLOKOSA-N 1 2 338.411 3.088 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H](CC)CCCC)C1 ZINC001149263944 1379356140 /nfs/dbraw/zinc/35/61/40/1379356140.db2.gz PNKWAAPGURUILI-HZPDHXFCSA-N 1 2 330.900 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H](CC)CCCC)C1 ZINC001149263944 1379356142 /nfs/dbraw/zinc/35/61/42/1379356142.db2.gz PNKWAAPGURUILI-HZPDHXFCSA-N 1 2 330.900 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCCC2CCOCC2)[C@H]1C ZINC001284129544 1379507437 /nfs/dbraw/zinc/50/74/37/1379507437.db2.gz RQOWWHUUOCEPFE-WBVHZDCISA-N 1 2 342.911 3.305 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCCC2CCOCC2)[C@H]1C ZINC001284129544 1379507440 /nfs/dbraw/zinc/50/74/40/1379507440.db2.gz RQOWWHUUOCEPFE-WBVHZDCISA-N 1 2 342.911 3.305 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](CC)CC(C)C)C1 ZINC001150562934 1379569106 /nfs/dbraw/zinc/56/91/06/1379569106.db2.gz UQSSCBJBFIKFNF-CVEARBPZSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H](CC)CC(C)C)C1 ZINC001150562934 1379569107 /nfs/dbraw/zinc/56/91/07/1379569107.db2.gz UQSSCBJBFIKFNF-CVEARBPZSA-N 1 2 330.900 3.018 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C1CCCC1 ZINC001151481915 1379725752 /nfs/dbraw/zinc/72/57/52/1379725752.db2.gz SKMXPZLIEIYRLE-CQSZACIVSA-N 1 2 331.435 3.214 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C1CCCC1 ZINC001151481915 1379725756 /nfs/dbraw/zinc/72/57/56/1379725756.db2.gz SKMXPZLIEIYRLE-CQSZACIVSA-N 1 2 331.435 3.214 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)/C=C(\C)C1CC1 ZINC001152129287 1379869365 /nfs/dbraw/zinc/86/93/65/1379869365.db2.gz UDOSJVPZRMBLID-AAWPKVBNSA-N 1 2 343.446 3.380 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)/C=C(\C)C1CC1 ZINC001152129287 1379869373 /nfs/dbraw/zinc/86/93/73/1379869373.db2.gz UDOSJVPZRMBLID-AAWPKVBNSA-N 1 2 343.446 3.380 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)/C=C\C(C)(C)C ZINC001152426824 1379932644 /nfs/dbraw/zinc/93/26/44/1379932644.db2.gz VOYBDVBCAPABFO-LJTDUEICSA-N 1 2 331.298 3.324 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)/C=C\C(C)(C)C ZINC001152426824 1379932640 /nfs/dbraw/zinc/93/26/40/1379932640.db2.gz VOYBDVBCAPABFO-LJTDUEICSA-N 1 2 331.298 3.324 20 30 EGEDLO C=CCC[C@@H](C(=O)NCC[NH2+]Cc1nc(C)c(C)o1)c1ccccc1 ZINC001153818161 1380136042 /nfs/dbraw/zinc/13/60/42/1380136042.db2.gz YQNOZWCIGKOAFE-GOSISDBHSA-N 1 2 341.455 3.247 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC12CC2 ZINC001154009450 1380177882 /nfs/dbraw/zinc/17/78/82/1380177882.db2.gz OAWHRBFHKNICET-ZIAGYGMSSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC12CC2 ZINC001154009450 1380177885 /nfs/dbraw/zinc/17/78/85/1380177885.db2.gz OAWHRBFHKNICET-ZIAGYGMSSA-N 1 2 343.309 3.302 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C2CC2)o1 ZINC001154605238 1380315355 /nfs/dbraw/zinc/31/53/55/1380315355.db2.gz ALQKKAWKKWJINP-MRXNPFEDSA-N 1 2 345.487 3.462 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C2CC2)o1 ZINC001154605238 1380315356 /nfs/dbraw/zinc/31/53/56/1380315356.db2.gz ALQKKAWKKWJINP-MRXNPFEDSA-N 1 2 345.487 3.462 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H](C)[N@H+](CC)Cc2coc(C3CC3)n2)C1 ZINC001155121002 1380413137 /nfs/dbraw/zinc/41/31/37/1380413137.db2.gz XGMLTNFVYVEHHL-CQSZACIVSA-N 1 2 331.460 3.235 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2coc(C3CC3)n2)C1 ZINC001155121002 1380413139 /nfs/dbraw/zinc/41/31/39/1380413139.db2.gz XGMLTNFVYVEHHL-CQSZACIVSA-N 1 2 331.460 3.235 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H](C)[N@H+](CC)Cc2ncoc2C(C)C)C1 ZINC001155132639 1380414877 /nfs/dbraw/zinc/41/48/77/1380414877.db2.gz QXZYSFNJQGBXQC-OAHLLOKOSA-N 1 2 333.476 3.481 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2ncoc2C(C)C)C1 ZINC001155132639 1380414880 /nfs/dbraw/zinc/41/48/80/1380414880.db2.gz QXZYSFNJQGBXQC-OAHLLOKOSA-N 1 2 333.476 3.481 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001155343904 1380440142 /nfs/dbraw/zinc/44/01/42/1380440142.db2.gz VLMQUSOFQLPTPP-RBSFLKMASA-N 1 2 345.325 3.404 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001155343904 1380440143 /nfs/dbraw/zinc/44/01/43/1380440143.db2.gz VLMQUSOFQLPTPP-RBSFLKMASA-N 1 2 345.325 3.404 20 30 EGEDLO N#CCc1cc[nH+]c(N2CCC(Oc3cccc(Cl)n3)CC2)c1 ZINC001155536938 1380465310 /nfs/dbraw/zinc/46/53/10/1380465310.db2.gz WYEJHAVQJWQPEL-UHFFFAOYSA-N 1 2 328.803 3.244 20 30 EGEDLO N#Cc1cc(F)c(NC(=O)c2ccc3[nH+]c(N)[nH]c3c2)c(Cl)c1 ZINC001156970804 1380739900 /nfs/dbraw/zinc/73/99/00/1380739900.db2.gz HHNGJSMCJFISGX-UHFFFAOYSA-N 1 2 329.722 3.062 20 30 EGEDLO CC(C)C#CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1coc(C2CC2)n1 ZINC001157940060 1381076929 /nfs/dbraw/zinc/07/69/29/1381076929.db2.gz RDAAWBVAKPYSCY-GOSISDBHSA-N 1 2 343.471 3.024 20 30 EGEDLO CC(C)C#CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1coc(C2CC2)n1 ZINC001157940060 1381076935 /nfs/dbraw/zinc/07/69/35/1381076935.db2.gz RDAAWBVAKPYSCY-GOSISDBHSA-N 1 2 343.471 3.024 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nccn1CC ZINC001158370108 1381222197 /nfs/dbraw/zinc/22/21/97/1381222197.db2.gz OZMNHNFIJWOEHR-ZWKOTPCHSA-N 1 2 346.519 3.318 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nccn1CC ZINC001158370108 1381222198 /nfs/dbraw/zinc/22/21/98/1381222198.db2.gz OZMNHNFIJWOEHR-ZWKOTPCHSA-N 1 2 346.519 3.318 20 30 EGEDLO CCc1nc(C[N@H+]2CC=C(CCNC(=O)C#CC(C)C)CC2)cs1 ZINC001160062701 1381986884 /nfs/dbraw/zinc/98/68/84/1381986884.db2.gz VQQAOOIWGSEHME-UHFFFAOYSA-N 1 2 345.512 3.003 20 30 EGEDLO CCc1nc(C[N@@H+]2CC=C(CCNC(=O)C#CC(C)C)CC2)cs1 ZINC001160062701 1381986890 /nfs/dbraw/zinc/98/68/90/1381986890.db2.gz VQQAOOIWGSEHME-UHFFFAOYSA-N 1 2 345.512 3.003 20 30 EGEDLO C=CCC(CC=C)C(=O)NCCC1=CC[N@H+](Cc2ncc(C)o2)CC1 ZINC001160227455 1382040570 /nfs/dbraw/zinc/04/05/70/1382040570.db2.gz CJCYZPSMLXSFRR-UHFFFAOYSA-N 1 2 343.471 3.390 20 30 EGEDLO C=CCC(CC=C)C(=O)NCCC1=CC[N@@H+](Cc2ncc(C)o2)CC1 ZINC001160227455 1382040575 /nfs/dbraw/zinc/04/05/75/1382040575.db2.gz CJCYZPSMLXSFRR-UHFFFAOYSA-N 1 2 343.471 3.390 20 30 EGEDLO CC(C)C[C@H](C#N)Nc1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001160363028 1382083606 /nfs/dbraw/zinc/08/36/06/1382083606.db2.gz CQYAXLLNUAHLGN-QGZVFWFLSA-N 1 2 335.455 3.385 20 30 EGEDLO CC(C)C[C@H](C#N)Nc1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001160363028 1382083608 /nfs/dbraw/zinc/08/36/08/1382083608.db2.gz CQYAXLLNUAHLGN-QGZVFWFLSA-N 1 2 335.455 3.385 20 30 EGEDLO CC(C)C[C@@H](C#N)Nc1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001160363025 1382084022 /nfs/dbraw/zinc/08/40/22/1382084022.db2.gz CQYAXLLNUAHLGN-KRWDZBQOSA-N 1 2 335.455 3.385 20 30 EGEDLO CC(C)C[C@@H](C#N)Nc1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001160363025 1382084024 /nfs/dbraw/zinc/08/40/24/1382084024.db2.gz CQYAXLLNUAHLGN-KRWDZBQOSA-N 1 2 335.455 3.385 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@H+](Cc2coc(C3CC3)n2)CC1 ZINC001160888458 1382225693 /nfs/dbraw/zinc/22/56/93/1382225693.db2.gz ZIFGGNKLYZDDIO-UHFFFAOYSA-N 1 2 343.471 3.403 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2coc(C3CC3)n2)CC1 ZINC001160888458 1382225698 /nfs/dbraw/zinc/22/56/98/1382225698.db2.gz ZIFGGNKLYZDDIO-UHFFFAOYSA-N 1 2 343.471 3.403 20 30 EGEDLO C#CCCCCCC(=O)NCCC1=CC[N@H+](Cc2cscn2)CC1 ZINC001160927383 1382237495 /nfs/dbraw/zinc/23/74/95/1382237495.db2.gz GMULDIUWLSVKKI-UHFFFAOYSA-N 1 2 345.512 3.365 20 30 EGEDLO C#CCCCCCC(=O)NCCC1=CC[N@@H+](Cc2cscn2)CC1 ZINC001160927383 1382237498 /nfs/dbraw/zinc/23/74/98/1382237498.db2.gz GMULDIUWLSVKKI-UHFFFAOYSA-N 1 2 345.512 3.365 20 30 EGEDLO CC#CCCCC(=O)NCCC1=CC[N@H+](Cc2ncc(CC)o2)CC1 ZINC001160947020 1382247770 /nfs/dbraw/zinc/24/77/70/1382247770.db2.gz YBYCPQMWEZSZHE-UHFFFAOYSA-N 1 2 343.471 3.069 20 30 EGEDLO CC#CCCCC(=O)NCCC1=CC[N@@H+](Cc2ncc(CC)o2)CC1 ZINC001160947020 1382247776 /nfs/dbraw/zinc/24/77/76/1382247776.db2.gz YBYCPQMWEZSZHE-UHFFFAOYSA-N 1 2 343.471 3.069 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@H+](Cc2ncc(C)o2)CC1 ZINC001160991517 1382264884 /nfs/dbraw/zinc/26/48/84/1382264884.db2.gz PDWDNVNRGXFJBA-INIZCTEOSA-N 1 2 331.460 3.224 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@@H+](Cc2ncc(C)o2)CC1 ZINC001160991517 1382264888 /nfs/dbraw/zinc/26/48/88/1382264888.db2.gz PDWDNVNRGXFJBA-INIZCTEOSA-N 1 2 331.460 3.224 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1=CC[N@H+]([C@@H](C)c2nc(C)no2)CC1 ZINC001161343787 1382376356 /nfs/dbraw/zinc/37/63/56/1382376356.db2.gz TUMHFRZMTJOIDT-AWEZNQCLSA-N 1 2 346.475 3.180 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nc(C)no2)CC1 ZINC001161343787 1382376362 /nfs/dbraw/zinc/37/63/62/1382376362.db2.gz TUMHFRZMTJOIDT-AWEZNQCLSA-N 1 2 346.475 3.180 20 30 EGEDLO N#Cc1ccc(Cl)nc1C(F)(F)NCc1ccc2[nH+]ccn2c1 ZINC001163138900 1382975043 /nfs/dbraw/zinc/97/50/43/1382975043.db2.gz DDORBDXYQKDBPN-UHFFFAOYSA-N 1 2 333.729 3.093 20 30 EGEDLO C#CCCC1(CCNc2[nH+]ccc3cc(C(=O)OCC)[nH]c32)N=N1 ZINC001163379896 1383037325 /nfs/dbraw/zinc/03/73/25/1383037325.db2.gz ILDLQNDERIHOSW-UHFFFAOYSA-N 1 2 325.372 3.117 20 30 EGEDLO Cc1ccc2nc(-c3ccccc3F)nc(N3CC[NH2+]C[C@H]3C#N)c2c1 ZINC001164651657 1383214130 /nfs/dbraw/zinc/21/41/30/1383214130.db2.gz KDKJBRCPPJPBIT-CQSZACIVSA-N 1 2 347.397 3.046 20 30 EGEDLO C=CCOCc1nn(C)c2c1CN(c1ccc(C(C)C)c[nH+]1)CC2 ZINC001165790070 1383345271 /nfs/dbraw/zinc/34/52/71/1383345271.db2.gz QARFDPXBRGCRCV-UHFFFAOYSA-N 1 2 326.444 3.204 20 30 EGEDLO N#Cc1c[nH]c2cc[nH+]c(N(Cc3cccnc3)Cc3ccccn3)c12 ZINC001166555998 1383437956 /nfs/dbraw/zinc/43/79/56/1383437956.db2.gz BBCQAFDHGOKLAX-UHFFFAOYSA-N 1 2 340.390 3.431 20 30 EGEDLO N#Cc1ccc2cc[nH+]c(N3CCN(c4cc(Cl)ccn4)CC3)c2c1 ZINC001166832040 1383484421 /nfs/dbraw/zinc/48/44/21/1383484421.db2.gz GPIYBRNKLWVMBX-UHFFFAOYSA-N 1 2 349.825 3.481 20 30 EGEDLO COc1cccc(C(=O)N2CCC([NH2+]C3(C#N)CCCCC3)CC2)c1 ZINC001167850859 1383758621 /nfs/dbraw/zinc/75/86/21/1383758621.db2.gz CRTIXCSDHPHCMQ-UHFFFAOYSA-N 1 2 341.455 3.116 20 30 EGEDLO C[NH+](C)Cc1nc(CSCCNc2ncccc2CC#N)cs1 ZINC001168107072 1383818834 /nfs/dbraw/zinc/81/88/34/1383818834.db2.gz ZHBOFWUXIYHJTL-UHFFFAOYSA-N 1 2 347.513 3.011 20 30 EGEDLO Cc1ccc(C(=NO)Nc2c[nH+]c3c(Br)cccn23)nc1 ZINC001169412348 1384145200 /nfs/dbraw/zinc/14/52/00/1384145200.db2.gz WIUYKZOBEMLNGH-UHFFFAOYSA-N 1 2 346.188 3.048 20 30 EGEDLO C=CC[C@H]([NH2+][C@H]1CCc2ccc(Br)cc2C1)C(=O)OC ZINC001170856358 1384399819 /nfs/dbraw/zinc/39/98/19/1384399819.db2.gz LXFPMVVSONJYSE-GJZGRUSLSA-N 1 2 338.245 3.014 20 30 EGEDLO C=CC[C@@H]([NH2+][C@@H]1CCc2ccc(Br)cc2C1)C(=O)OC ZINC001170856360 1384399999 /nfs/dbraw/zinc/39/99/99/1384399999.db2.gz LXFPMVVSONJYSE-HUUCEWRRSA-N 1 2 338.245 3.014 20 30 EGEDLO Cc1cnc2ncc(NC(=[NH2+])c3ccc4cc(O)ccc4c3)cc2n1 ZINC001171184272 1384462783 /nfs/dbraw/zinc/46/27/83/1384462783.db2.gz HYRNFXMWODYKOT-UHFFFAOYSA-N 1 2 329.363 3.229 20 30 EGEDLO CCCCCCCCCC(=O)NCCC[NH2+]Cc1noc(CC)n1 ZINC001171864835 1384664566 /nfs/dbraw/zinc/66/45/66/1384664566.db2.gz IEGXXZCIWHVULM-UHFFFAOYSA-N 1 2 338.496 3.369 20 30 EGEDLO C=CCOC(=O)CC[C@H]([NH2+][C@@H]1CC[C@H](C)[C@H](C)C1)C(=O)OCC=C ZINC001172364813 1384777528 /nfs/dbraw/zinc/77/75/28/1384777528.db2.gz BGUFBZGDWFCAIL-HZMVEIRTSA-N 1 2 337.460 3.008 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)CCC(C)C ZINC001317163775 1384926811 /nfs/dbraw/zinc/92/68/11/1384926811.db2.gz AKJVIBQZVWNBOL-CQSZACIVSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCC(C)C ZINC001317163775 1384926813 /nfs/dbraw/zinc/92/68/13/1384926813.db2.gz AKJVIBQZVWNBOL-CQSZACIVSA-N 1 2 331.298 3.302 20 30 EGEDLO N#CCc1ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC001174432232 1385108042 /nfs/dbraw/zinc/10/80/42/1385108042.db2.gz KOXGWGPANYQYNX-UHFFFAOYSA-N 1 2 337.423 3.207 20 30 EGEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)[C@@H](C)C(C)(F)F ZINC001317544585 1385288901 /nfs/dbraw/zinc/28/89/01/1385288901.db2.gz AENRZEAPXKXUJN-LLVKDONJSA-N 1 2 341.240 3.015 20 30 EGEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)[C@@H](C)C(C)(F)F ZINC001317544585 1385288895 /nfs/dbraw/zinc/28/88/95/1385288895.db2.gz AENRZEAPXKXUJN-LLVKDONJSA-N 1 2 341.240 3.015 20 30 EGEDLO N#Cc1ccccc1C[NH2+][C@@H](CNC(=O)c1ccoc1)c1ccccc1 ZINC001317714240 1385415717 /nfs/dbraw/zinc/41/57/17/1385415717.db2.gz OKISOZDROATJFO-FQEVSTJZSA-N 1 2 345.402 3.412 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@@H+](Cc3ccc(C)cc3C)[C@@H]2C1 ZINC001176955528 1385755082 /nfs/dbraw/zinc/75/50/82/1385755082.db2.gz VBOHIBJTZIFKOW-UXHICEINSA-N 1 2 342.483 3.071 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@H+](Cc3ccc(C)cc3C)[C@@H]2C1 ZINC001176955528 1385755087 /nfs/dbraw/zinc/75/50/87/1385755087.db2.gz VBOHIBJTZIFKOW-UXHICEINSA-N 1 2 342.483 3.071 20 30 EGEDLO N#C[C@@H](Cc1cccs1)C(=O)Nc1ccnc(-c2cc(N)cc[nH+]2)c1 ZINC001177902972 1386078334 /nfs/dbraw/zinc/07/83/34/1386078334.db2.gz CNHSAJLKWSVXRO-GFCCVEGCSA-N 1 2 349.419 3.108 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2nc(C(C)(C)C)no2)[C@@H]1C ZINC001179384736 1386470124 /nfs/dbraw/zinc/47/01/24/1386470124.db2.gz VLOGOYHOSCXOAG-KKUMJFAQSA-N 1 2 348.491 3.048 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([NH2+]Cc2nc(C3CCC3)no2)[C@@H]1C ZINC001179388675 1386471350 /nfs/dbraw/zinc/47/13/50/1386471350.db2.gz NFTXVXGRIGRVTQ-LZWOXQAQSA-N 1 2 346.475 3.018 20 30 EGEDLO C=CC1(CC(=O)N2CC[C@H]([NH2+]Cc3csnn3)[C@@H]2C)CCCCC1 ZINC001179714632 1386562541 /nfs/dbraw/zinc/56/25/41/1386562541.db2.gz DUSCRBZPJIZZKO-HOCLYGCPSA-N 1 2 348.516 3.144 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C(C)(C)c1cccc(F)c1 ZINC001322243014 1387116877 /nfs/dbraw/zinc/11/68/77/1387116877.db2.gz BAHJIXSVWFVQCP-ZDUSSCGKSA-N 1 2 326.843 3.292 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)c1cccc(F)c1 ZINC001322243014 1387116876 /nfs/dbraw/zinc/11/68/76/1387116876.db2.gz BAHJIXSVWFVQCP-ZDUSSCGKSA-N 1 2 326.843 3.292 20 30 EGEDLO CC[NH+](CC)[C@H](C(=O)N1CCC[C@@H](C#N)C1)c1ccccc1Cl ZINC001182220794 1387123596 /nfs/dbraw/zinc/12/35/96/1387123596.db2.gz NOGWQEXMJGUEDW-YOEHRIQHSA-N 1 2 333.863 3.485 20 30 EGEDLO N#Cc1ccc(-c2nnc(-c3cccc(C[NH+]4CCOCC4)c3)o2)cc1 ZINC001322502745 1387197037 /nfs/dbraw/zinc/19/70/37/1387197037.db2.gz KLXXELAWMUADSP-UHFFFAOYSA-N 1 2 346.390 3.107 20 30 EGEDLO N#Cc1cc(F)cc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)c1 ZINC001329602389 1389178605 /nfs/dbraw/zinc/17/86/05/1389178605.db2.gz KPLRECUXQVFLBS-SFHVURJKSA-N 1 2 338.386 3.086 20 30 EGEDLO N#Cc1cc(F)cc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)c1 ZINC001329602389 1389178606 /nfs/dbraw/zinc/17/86/06/1389178606.db2.gz KPLRECUXQVFLBS-SFHVURJKSA-N 1 2 338.386 3.086 20 30 EGEDLO C=CCN(CC=C)c1nnc([C@@H](C)[N@H+](C)Cc2ccccc2)n1C ZINC001338940396 1389833063 /nfs/dbraw/zinc/83/30/63/1389833063.db2.gz IUBIPMCYKPPUOD-MRXNPFEDSA-N 1 2 325.460 3.187 20 30 EGEDLO C=CCN(CC=C)c1nnc([C@@H](C)[N@@H+](C)Cc2ccccc2)n1C ZINC001338940396 1389833068 /nfs/dbraw/zinc/83/30/68/1389833068.db2.gz IUBIPMCYKPPUOD-MRXNPFEDSA-N 1 2 325.460 3.187 20 30 EGEDLO C=CCN(CC=C)c1nnc([C@H](C)[N@H+](C)Cc2ccccc2)n1C ZINC001338940395 1389833261 /nfs/dbraw/zinc/83/32/61/1389833261.db2.gz IUBIPMCYKPPUOD-INIZCTEOSA-N 1 2 325.460 3.187 20 30 EGEDLO C=CCN(CC=C)c1nnc([C@H](C)[N@@H+](C)Cc2ccccc2)n1C ZINC001338940395 1389833270 /nfs/dbraw/zinc/83/32/70/1389833270.db2.gz IUBIPMCYKPPUOD-INIZCTEOSA-N 1 2 325.460 3.187 20 30 EGEDLO C=C(C)CN(C)c1nnc([C@H]2CCCC[N@@H+]2C)n1Cc1ccccc1 ZINC001340384943 1390280697 /nfs/dbraw/zinc/28/06/97/1390280697.db2.gz ZUTIJWMIHBBECR-GOSISDBHSA-N 1 2 339.487 3.496 20 30 EGEDLO C=C(C)CN(C)c1nnc([C@H]2CCCC[N@H+]2C)n1Cc1ccccc1 ZINC001340384943 1390280698 /nfs/dbraw/zinc/28/06/98/1390280698.db2.gz ZUTIJWMIHBBECR-GOSISDBHSA-N 1 2 339.487 3.496 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)CCC(F)(F)F ZINC001340389884 1390281801 /nfs/dbraw/zinc/28/18/01/1390281801.db2.gz KHTRVBICDMXYHO-LBPRGKRZSA-N 1 2 331.386 3.010 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)CCC(F)(F)F ZINC001340389884 1390281803 /nfs/dbraw/zinc/28/18/03/1390281803.db2.gz KHTRVBICDMXYHO-LBPRGKRZSA-N 1 2 331.386 3.010 20 30 EGEDLO C=CC[C@H]1CCCN(c2nnc([C@H]3CCC[N@H+]3C)n2CC(=C)C)C1 ZINC001341902732 1390547377 /nfs/dbraw/zinc/54/73/77/1390547377.db2.gz JYCMIYYTKXIAIN-DLBZAZTESA-N 1 2 329.492 3.413 20 30 EGEDLO C=CC[C@H]1CCCN(c2nnc([C@H]3CCC[N@@H+]3C)n2CC(=C)C)C1 ZINC001341902732 1390547378 /nfs/dbraw/zinc/54/73/78/1390547378.db2.gz JYCMIYYTKXIAIN-DLBZAZTESA-N 1 2 329.492 3.413 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@H](c2ccco2)C1 ZINC001342071530 1390567533 /nfs/dbraw/zinc/56/75/33/1390567533.db2.gz LSASYYZFMNGXRW-HOTGVXAUSA-N 1 2 341.459 3.208 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H](c2ccco2)C1 ZINC001342071530 1390567534 /nfs/dbraw/zinc/56/75/34/1390567534.db2.gz LSASYYZFMNGXRW-HOTGVXAUSA-N 1 2 341.459 3.208 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@@H](C2CCC2)C1 ZINC001343457338 1390715401 /nfs/dbraw/zinc/71/54/01/1390715401.db2.gz NDTDVYXMLCXWMB-SJORKVTESA-N 1 2 329.492 3.247 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H](C2CCC2)C1 ZINC001343457338 1390715402 /nfs/dbraw/zinc/71/54/02/1390715402.db2.gz NDTDVYXMLCXWMB-SJORKVTESA-N 1 2 329.492 3.247 20 30 EGEDLO CC(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@](C)(C#N)C1 ZINC001343506569 1390718693 /nfs/dbraw/zinc/71/86/93/1390718693.db2.gz GXJNGFGYJRDHJH-VQIMIIECSA-N 1 2 344.507 3.221 20 30 EGEDLO CC(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@](C)(C#N)C1 ZINC001343506569 1390718694 /nfs/dbraw/zinc/71/86/94/1390718694.db2.gz GXJNGFGYJRDHJH-VQIMIIECSA-N 1 2 344.507 3.221 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001343553375 1390722258 /nfs/dbraw/zinc/72/22/58/1390722258.db2.gz HCHXROJJIWLKGN-HZPDHXFCSA-N 1 2 341.459 3.208 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001343553375 1390722259 /nfs/dbraw/zinc/72/22/59/1390722259.db2.gz HCHXROJJIWLKGN-HZPDHXFCSA-N 1 2 341.459 3.208 20 30 EGEDLO N#Cc1c2c(cn(C[N@@H+]3Cc4ccccc4C4(CCC4)C3)c1=O)CCC2 ZINC001345410849 1390858799 /nfs/dbraw/zinc/85/87/99/1390858799.db2.gz FGOASTVNTYJPMW-UHFFFAOYSA-N 1 2 345.446 3.104 20 30 EGEDLO N#Cc1c2c(cn(C[N@H+]3Cc4ccccc4C4(CCC4)C3)c1=O)CCC2 ZINC001345410849 1390858800 /nfs/dbraw/zinc/85/88/00/1390858800.db2.gz FGOASTVNTYJPMW-UHFFFAOYSA-N 1 2 345.446 3.104 20 30 EGEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CC(C)(C)CC(C)(C)C1 ZINC001352092892 1391758240 /nfs/dbraw/zinc/75/82/40/1391758240.db2.gz DQOVGIQPEFCZAY-UHFFFAOYSA-N 1 2 342.491 3.051 20 30 EGEDLO C[N@H+](CCNC(=O)c1ccc(CF)cc1)Cc1ccc(C#N)cc1F ZINC001480954617 1393045433 /nfs/dbraw/zinc/04/54/33/1393045433.db2.gz GATIYSHOZJYZNF-UHFFFAOYSA-N 1 2 343.377 3.029 20 30 EGEDLO C[N@@H+](CCNC(=O)c1ccc(CF)cc1)Cc1ccc(C#N)cc1F ZINC001480954617 1393045436 /nfs/dbraw/zinc/04/54/36/1393045436.db2.gz GATIYSHOZJYZNF-UHFFFAOYSA-N 1 2 343.377 3.029 20 30 EGEDLO CCCC1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC001481528516 1394382608 /nfs/dbraw/zinc/38/26/08/1394382608.db2.gz QLGNSISPHZDAAC-GOSISDBHSA-N 1 2 325.456 3.219 20 30 EGEDLO CCCC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC001481528516 1394382612 /nfs/dbraw/zinc/38/26/12/1394382612.db2.gz QLGNSISPHZDAAC-GOSISDBHSA-N 1 2 325.456 3.219 20 30 EGEDLO CCC[C@@](C)(CC)C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001481652857 1394432951 /nfs/dbraw/zinc/43/29/51/1394432951.db2.gz WCQQEPKPNFDTBO-HXUWFJFHSA-N 1 2 345.462 3.462 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)OC1CCCCCC1 ZINC001698996765 1406794730 /nfs/dbraw/zinc/79/47/30/1406794730.db2.gz MBKPAZUYEXIRAD-OAHLLOKOSA-N 1 2 330.900 3.257 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](C)OC1CCCCCC1 ZINC001698996765 1406794732 /nfs/dbraw/zinc/79/47/32/1406794732.db2.gz MBKPAZUYEXIRAD-OAHLLOKOSA-N 1 2 330.900 3.257 20 30 EGEDLO C[C@@H](NC(=O)CC1CCCC1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001485488014 1395974394 /nfs/dbraw/zinc/97/43/94/1395974394.db2.gz GZLUGJRPUPCFNW-CQSZACIVSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCCc2ccccn2)[C@H]1C ZINC001486184567 1396180752 /nfs/dbraw/zinc/18/07/52/1396180752.db2.gz WHXNYBYRGLVWLB-NVXWUHKLSA-N 1 2 335.879 3.126 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCCc2ccccn2)[C@H]1C ZINC001486184567 1396180753 /nfs/dbraw/zinc/18/07/53/1396180753.db2.gz WHXNYBYRGLVWLB-NVXWUHKLSA-N 1 2 335.879 3.126 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)C1(C)CCCC1 ZINC001691092736 1405028592 /nfs/dbraw/zinc/02/85/92/1405028592.db2.gz XIBNTDFVDJKHSP-ZDUSSCGKSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)C1(C)CCCC1 ZINC001691092736 1405028594 /nfs/dbraw/zinc/02/85/94/1405028594.db2.gz XIBNTDFVDJKHSP-ZDUSSCGKSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)CCn1ccc2ccccc21)C1CC1 ZINC001691235443 1405175544 /nfs/dbraw/zinc/17/55/44/1405175544.db2.gz XXNIFKMBIQTSBK-UHFFFAOYSA-N 1 2 345.874 3.365 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)CCn1ccc2ccccc21)C1CC1 ZINC001691235443 1405175545 /nfs/dbraw/zinc/17/55/45/1405175545.db2.gz XXNIFKMBIQTSBK-UHFFFAOYSA-N 1 2 345.874 3.365 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)Cc2ccsc2)C1 ZINC001691841777 1405552495 /nfs/dbraw/zinc/55/24/95/1405552495.db2.gz HTQBEOFOGMKDAQ-OAHLLOKOSA-N 1 2 326.893 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)Cc2ccsc2)C1 ZINC001691841777 1405552500 /nfs/dbraw/zinc/55/25/00/1405552500.db2.gz HTQBEOFOGMKDAQ-OAHLLOKOSA-N 1 2 326.893 3.356 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)Cn2ccc3ccccc32)C1 ZINC001698585032 1406199404 /nfs/dbraw/zinc/19/94/04/1406199404.db2.gz AUVXZPYQBVUWTA-QGZVFWFLSA-N 1 2 345.874 3.317 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)Cn2ccc3ccccc32)C1 ZINC001698585032 1406199407 /nfs/dbraw/zinc/19/94/07/1406199407.db2.gz AUVXZPYQBVUWTA-QGZVFWFLSA-N 1 2 345.874 3.317 20 30 EGEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)CC3CCCCC3)C2)c(F)c1 ZINC001732119466 1428371592 /nfs/dbraw/zinc/37/15/92/1428371592.db2.gz BBRWCTFTURSBRO-UHFFFAOYSA-N 1 2 343.446 3.216 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)CC2(C)CC2)C1 ZINC001732188452 1428439594 /nfs/dbraw/zinc/43/95/94/1428439594.db2.gz YNORYDLSPUNMIZ-CYBMUJFWSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)CC2(C)CC2)C1 ZINC001732188452 1428439596 /nfs/dbraw/zinc/43/95/96/1428439596.db2.gz YNORYDLSPUNMIZ-CYBMUJFWSA-N 1 2 329.282 3.008 20 30 EGEDLO Cc1cc(C(=O)N(C)CC[N@H+](C)Cc2cc(C#N)ccc2F)c(C)o1 ZINC001732574061 1428771932 /nfs/dbraw/zinc/77/19/32/1428771932.db2.gz IZBYALOHWHZYDH-UHFFFAOYSA-N 1 2 343.402 3.111 20 30 EGEDLO Cc1cc(C(=O)N(C)CC[N@@H+](C)Cc2cc(C#N)ccc2F)c(C)o1 ZINC001732574061 1428771938 /nfs/dbraw/zinc/77/19/38/1428771938.db2.gz IZBYALOHWHZYDH-UHFFFAOYSA-N 1 2 343.402 3.111 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1ccc(Cl)o1 ZINC001732578571 1428781983 /nfs/dbraw/zinc/78/19/83/1428781983.db2.gz XRYLSSASCKZNQJ-UHFFFAOYSA-N 1 2 331.803 3.009 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1ccc(Cl)o1 ZINC001732578571 1428781989 /nfs/dbraw/zinc/78/19/89/1428781989.db2.gz XRYLSSASCKZNQJ-UHFFFAOYSA-N 1 2 331.803 3.009 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2cccc(Cl)c2)C1 ZINC001700542591 1414210168 /nfs/dbraw/zinc/21/01/68/1414210168.db2.gz GYQBCVMMFIRIHY-GFCCVEGCSA-N 1 2 327.255 3.072 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)C(CC)CC)[C@@H]1C ZINC001700882645 1414539551 /nfs/dbraw/zinc/53/95/51/1414539551.db2.gz ZXRBWBOQOUMYMY-GXTWGEPZSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)C(CC)CC)[C@@H]1C ZINC001700882645 1414539552 /nfs/dbraw/zinc/53/95/52/1414539552.db2.gz ZXRBWBOQOUMYMY-GXTWGEPZSA-N 1 2 331.298 3.300 20 30 EGEDLO CCCC1(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)CCC1 ZINC001713914603 1418710360 /nfs/dbraw/zinc/71/03/60/1418710360.db2.gz XDLUZFSERHTJBF-UHFFFAOYSA-N 1 2 343.446 3.216 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(CCNC(=O)c2n[nH]c3ccccc32)CC1 ZINC001714330929 1419110837 /nfs/dbraw/zinc/11/08/37/1419110837.db2.gz FAOOXFLZDJUMOW-UHFFFAOYSA-N 1 2 346.862 3.147 20 30 EGEDLO CCC[C@@](C)(CC)C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001714975657 1419709932 /nfs/dbraw/zinc/70/99/32/1419709932.db2.gz GEMLXOINEHYXAC-HXUWFJFHSA-N 1 2 345.462 3.462 20 30 EGEDLO Cc1cscc1C(=O)N(C)CC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001715791449 1420345037 /nfs/dbraw/zinc/34/50/37/1420345037.db2.gz JCRVGDSHYVKQJY-UHFFFAOYSA-N 1 2 345.443 3.271 20 30 EGEDLO Cc1cscc1C(=O)N(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001715791449 1420345040 /nfs/dbraw/zinc/34/50/40/1420345040.db2.gz JCRVGDSHYVKQJY-UHFFFAOYSA-N 1 2 345.443 3.271 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cnc(-c2ccco2)s1 ZINC001715994480 1420448980 /nfs/dbraw/zinc/44/89/80/1420448980.db2.gz BAUIIQHTOIDXGH-UHFFFAOYSA-N 1 2 339.848 3.159 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cnc(-c2ccco2)s1 ZINC001715994480 1420448982 /nfs/dbraw/zinc/44/89/82/1420448982.db2.gz BAUIIQHTOIDXGH-UHFFFAOYSA-N 1 2 339.848 3.159 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2(CCC)CC2)C[C@H]1C ZINC001717337688 1421275601 /nfs/dbraw/zinc/27/56/01/1421275601.db2.gz MICZOTSNHNKTKJ-KGLIPLIRSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2(CCC)CC2)C[C@H]1C ZINC001717337688 1421275603 /nfs/dbraw/zinc/27/56/03/1421275603.db2.gz MICZOTSNHNKTKJ-KGLIPLIRSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cn1cc(C)c2ccccc21 ZINC001717491950 1421431047 /nfs/dbraw/zinc/43/10/47/1421431047.db2.gz SJZXRKOWVKCWLL-OAHLLOKOSA-N 1 2 333.863 3.139 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cn1cc(C)c2ccccc21 ZINC001717491950 1421431049 /nfs/dbraw/zinc/43/10/49/1421431049.db2.gz SJZXRKOWVKCWLL-OAHLLOKOSA-N 1 2 333.863 3.139 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cccc2c1OCC2(C)C ZINC001717501189 1421444987 /nfs/dbraw/zinc/44/49/87/1421444987.db2.gz HCGDAKUPQZGNBO-CYBMUJFWSA-N 1 2 336.863 3.159 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cccc2c1OCC2(C)C ZINC001717501189 1421444989 /nfs/dbraw/zinc/44/49/89/1421444989.db2.gz HCGDAKUPQZGNBO-CYBMUJFWSA-N 1 2 336.863 3.159 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCc2cncc(C)c2)[C@H]1C ZINC001717854942 1421667250 /nfs/dbraw/zinc/66/72/50/1421667250.db2.gz AJRYIVFZMLSQKL-WBVHZDCISA-N 1 2 335.879 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCc2cncc(C)c2)[C@H]1C ZINC001717854942 1421667251 /nfs/dbraw/zinc/66/72/51/1421667251.db2.gz AJRYIVFZMLSQKL-WBVHZDCISA-N 1 2 335.879 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(Cl)ccc1OC ZINC001722913663 1424244776 /nfs/dbraw/zinc/24/47/76/1424244776.db2.gz LJLGZGSBTFOZOE-LLVKDONJSA-N 1 2 331.243 3.151 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(Cl)ccc1OC ZINC001722913663 1424244780 /nfs/dbraw/zinc/24/47/80/1424244780.db2.gz LJLGZGSBTFOZOE-LLVKDONJSA-N 1 2 331.243 3.151 20 30 EGEDLO CCC[C@H](C)C(=O)NCC[N@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001731875544 1428139109 /nfs/dbraw/zinc/13/91/09/1428139109.db2.gz XWYFJPIDAKHGNU-AWEZNQCLSA-N 1 2 331.435 3.214 20 30 EGEDLO CCC[C@H](C)C(=O)NCC[N@@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001731875544 1428139110 /nfs/dbraw/zinc/13/91/10/1428139110.db2.gz XWYFJPIDAKHGNU-AWEZNQCLSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)CCc1ccc2[nH]ccc2c1)C1CC1 ZINC001731878535 1428146394 /nfs/dbraw/zinc/14/63/94/1428146394.db2.gz NMPWLBSDZSDIGG-UHFFFAOYSA-N 1 2 345.874 3.434 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)CCc1ccc2[nH]ccc2c1)C1CC1 ZINC001731878535 1428146395 /nfs/dbraw/zinc/14/63/95/1428146395.db2.gz NMPWLBSDZSDIGG-UHFFFAOYSA-N 1 2 345.874 3.434 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCNC(=O)c1cscc1C ZINC001751955299 1440128261 /nfs/dbraw/zinc/12/82/61/1440128261.db2.gz ANYFLWPIUHAJDO-UHFFFAOYSA-N 1 2 331.279 3.017 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCNC(=O)c1cscc1C ZINC001751955299 1440128262 /nfs/dbraw/zinc/12/82/62/1440128262.db2.gz ANYFLWPIUHAJDO-UHFFFAOYSA-N 1 2 331.279 3.017 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N(C)C1CC[NH+](Cc2ccn(C(C)C)n2)CC1 ZINC001752304425 1440168619 /nfs/dbraw/zinc/16/86/19/1440168619.db2.gz OVCNWSCHWDBWSI-UHFFFAOYSA-N 1 2 346.519 3.489 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001752326902 1440170980 /nfs/dbraw/zinc/17/09/80/1440170980.db2.gz HFGXXOXUNCANNK-YJBOKZPZSA-N 1 2 343.446 3.380 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001752326902 1440170981 /nfs/dbraw/zinc/17/09/81/1440170981.db2.gz HFGXXOXUNCANNK-YJBOKZPZSA-N 1 2 343.446 3.380 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cn2)C1 ZINC001752822820 1440221654 /nfs/dbraw/zinc/22/16/54/1440221654.db2.gz OZBFBAOJTVSGBC-KRWDZBQOSA-N 1 2 331.435 3.048 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccc(F)cn2)C1 ZINC001752822820 1440221655 /nfs/dbraw/zinc/22/16/55/1440221655.db2.gz OZBFBAOJTVSGBC-KRWDZBQOSA-N 1 2 331.435 3.048 20 30 EGEDLO C=CCC1(C(=O)NCC[C@H](C)[NH2+]Cc2noc(C(C)(C)C)n2)CCC1 ZINC001753013711 1440267826 /nfs/dbraw/zinc/26/78/26/1440267826.db2.gz VDZZIGKTTILHJG-AWEZNQCLSA-N 1 2 348.491 3.098 20 30 EGEDLO C[C@H](C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F)c1ccsc1 ZINC001753063876 1440284621 /nfs/dbraw/zinc/28/46/21/1440284621.db2.gz FURVPPZDJVNXEF-ZDUSSCGKSA-N 1 2 345.443 3.111 20 30 EGEDLO C[C@H](C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F)c1ccsc1 ZINC001753063876 1440284622 /nfs/dbraw/zinc/28/46/22/1440284622.db2.gz FURVPPZDJVNXEF-ZDUSSCGKSA-N 1 2 345.443 3.111 20 30 EGEDLO C[N@H+](CCNC(=O)c1cccc(Cl)c1)Cc1ccccc1C#N ZINC001753071469 1440288558 /nfs/dbraw/zinc/28/85/58/1440288558.db2.gz OSFNQEAARQTLGP-UHFFFAOYSA-N 1 2 327.815 3.073 20 30 EGEDLO C[N@@H+](CCNC(=O)c1cccc(Cl)c1)Cc1ccccc1C#N ZINC001753071469 1440288559 /nfs/dbraw/zinc/28/85/59/1440288559.db2.gz OSFNQEAARQTLGP-UHFFFAOYSA-N 1 2 327.815 3.073 20 30 EGEDLO CC[N@H+](CCNC(=O)C[C@@H]1C[C@H]1C1CC1)Cc1cc(F)ccc1C#N ZINC001753089344 1440297989 /nfs/dbraw/zinc/29/79/89/1440297989.db2.gz RHZYWGYHTLWCIG-LPHOPBHVSA-N 1 2 343.446 3.072 20 30 EGEDLO CC[N@@H+](CCNC(=O)C[C@@H]1C[C@H]1C1CC1)Cc1cc(F)ccc1C#N ZINC001753089344 1440297990 /nfs/dbraw/zinc/29/79/90/1440297990.db2.gz RHZYWGYHTLWCIG-LPHOPBHVSA-N 1 2 343.446 3.072 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnc2c(F)cccc2c1 ZINC001753089605 1440298261 /nfs/dbraw/zinc/29/82/61/1440298261.db2.gz XMBNFZUFBAYPTI-UHFFFAOYSA-N 1 2 335.810 3.178 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnc2c(F)cccc2c1 ZINC001753089605 1440298262 /nfs/dbraw/zinc/29/82/62/1440298262.db2.gz XMBNFZUFBAYPTI-UHFFFAOYSA-N 1 2 335.810 3.178 20 30 EGEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)c1cc(C)cs1 ZINC001753143902 1440323032 /nfs/dbraw/zinc/32/30/32/1440323032.db2.gz DDJXFINQQXPPRP-UHFFFAOYSA-N 1 2 345.306 3.407 20 30 EGEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1cc(C)cs1 ZINC001753143902 1440323033 /nfs/dbraw/zinc/32/30/33/1440323033.db2.gz DDJXFINQQXPPRP-UHFFFAOYSA-N 1 2 345.306 3.407 20 30 EGEDLO C#CCC1(C(=O)NCC[N@@H+](CCC)Cc2nccs2)CCCCC1 ZINC001753150207 1440327479 /nfs/dbraw/zinc/32/74/79/1440327479.db2.gz GEVSHZMOWJMKDV-UHFFFAOYSA-N 1 2 347.528 3.445 20 30 EGEDLO C#CCC1(C(=O)NCC[N@H+](CCC)Cc2nccs2)CCCCC1 ZINC001753150207 1440327480 /nfs/dbraw/zinc/32/74/80/1440327480.db2.gz GEVSHZMOWJMKDV-UHFFFAOYSA-N 1 2 347.528 3.445 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccc2c(c1)C(C)(C)CO2)C1CC1 ZINC001753157629 1440331665 /nfs/dbraw/zinc/33/16/65/1440331665.db2.gz QUDMAUFHJVQVTI-UHFFFAOYSA-N 1 2 348.874 3.303 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccc2c(c1)C(C)(C)CO2)C1CC1 ZINC001753157629 1440331666 /nfs/dbraw/zinc/33/16/66/1440331666.db2.gz QUDMAUFHJVQVTI-UHFFFAOYSA-N 1 2 348.874 3.303 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)ns1 ZINC001753308259 1440355812 /nfs/dbraw/zinc/35/58/12/1440355812.db2.gz SPDJHYAXYICECR-HRCADAONSA-N 1 2 333.501 3.229 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)ns1 ZINC001753308259 1440355813 /nfs/dbraw/zinc/35/58/13/1440355813.db2.gz SPDJHYAXYICECR-HRCADAONSA-N 1 2 333.501 3.229 20 30 EGEDLO CCCN(C(=O)CCCF)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001753318494 1440361378 /nfs/dbraw/zinc/36/13/78/1440361378.db2.gz KAGGYHQJVQRFKX-GOSISDBHSA-N 1 2 349.425 3.260 20 30 EGEDLO CCCN(C(=O)CCCF)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001753318494 1440361379 /nfs/dbraw/zinc/36/13/79/1440361379.db2.gz KAGGYHQJVQRFKX-GOSISDBHSA-N 1 2 349.425 3.260 20 30 EGEDLO C#CCCCCC(=O)NCC1C[NH+](Cc2cc(Cl)ccc2OC)C1 ZINC001753400730 1440391027 /nfs/dbraw/zinc/39/10/27/1440391027.db2.gz HDJHOPYUYDWLKW-UHFFFAOYSA-N 1 2 348.874 3.090 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1oc(C(C)C)nc1C ZINC001753424122 1440396250 /nfs/dbraw/zinc/39/62/50/1440396250.db2.gz LTTKZBVHQSMYSG-IKGGRYGDSA-N 1 2 345.487 3.494 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1oc(C(C)C)nc1C ZINC001753424122 1440396251 /nfs/dbraw/zinc/39/62/51/1440396251.db2.gz LTTKZBVHQSMYSG-IKGGRYGDSA-N 1 2 345.487 3.494 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C2(CC)CCCC2)C1 ZINC001753447071 1440404315 /nfs/dbraw/zinc/40/43/15/1440404315.db2.gz RZKXGHDZWFOEAD-CQSZACIVSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(CC)CCCC2)C1 ZINC001753447071 1440404316 /nfs/dbraw/zinc/40/43/16/1440404316.db2.gz RZKXGHDZWFOEAD-CQSZACIVSA-N 1 2 343.309 3.398 20 30 EGEDLO CCN(C(=O)[C@H](C)C#N)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC001753453518 1440407219 /nfs/dbraw/zinc/40/72/19/1440407219.db2.gz RYUIDNLYJAXVJG-DOMZBBRYSA-N 1 2 337.826 3.062 20 30 EGEDLO CCN(C(=O)[C@H](C)C#N)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC001753453518 1440407220 /nfs/dbraw/zinc/40/72/20/1440407220.db2.gz RYUIDNLYJAXVJG-DOMZBBRYSA-N 1 2 337.826 3.062 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)c(C)c2)CCO1 ZINC001753652384 1440456728 /nfs/dbraw/zinc/45/67/28/1440456728.db2.gz HBQZQTWFZGDVDR-CTNGQTDRSA-N 1 2 344.499 3.223 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)c(C)c2)CCO1 ZINC001753652384 1440456729 /nfs/dbraw/zinc/45/67/29/1440456729.db2.gz HBQZQTWFZGDVDR-CTNGQTDRSA-N 1 2 344.499 3.223 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N(C)[C@@H](C)C[NH2+][C@H](C)c1nc(C(C)C)no1 ZINC001753707179 1440469678 /nfs/dbraw/zinc/46/96/78/1440469678.db2.gz LKQGCFTWSDIUIV-UONOGXRCSA-N 1 2 336.480 3.293 20 30 EGEDLO C=CCC1(C(=O)N(C)[C@H](C)C[NH2+][C@@H](C)c2nc(C)no2)CCCC1 ZINC001753730601 1440475857 /nfs/dbraw/zinc/47/58/57/1440475857.db2.gz BBYXIPXOCATMCB-KGLIPLIRSA-N 1 2 334.464 3.012 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cn(CC)c2ccccc12 ZINC001753856117 1440508847 /nfs/dbraw/zinc/50/88/47/1440508847.db2.gz AQDMEQXPZXKXIW-UHFFFAOYSA-N 1 2 333.863 3.418 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cn(CC)c2ccccc12 ZINC001753856117 1440508848 /nfs/dbraw/zinc/50/88/48/1440508848.db2.gz AQDMEQXPZXKXIW-UHFFFAOYSA-N 1 2 333.863 3.418 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCC1([NH2+]Cc2csc(Cl)n2)CC1 ZINC001754524133 1440620460 /nfs/dbraw/zinc/62/04/60/1440620460.db2.gz VGGMHTXEQIAKNK-CQSZACIVSA-N 1 2 327.881 3.137 20 30 EGEDLO C=CCC(CC=C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccnc1 ZINC001754552925 1440630395 /nfs/dbraw/zinc/63/03/95/1440630395.db2.gz POJNPTRPKKNNCA-BGYRXZFFSA-N 1 2 339.483 3.415 20 30 EGEDLO C=CCC(CC=C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccnc1 ZINC001754552925 1440630396 /nfs/dbraw/zinc/63/03/96/1440630396.db2.gz POJNPTRPKKNNCA-BGYRXZFFSA-N 1 2 339.483 3.415 20 30 EGEDLO C=CCOCCCC(=O)N(C)C1C[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC001754572330 1440637266 /nfs/dbraw/zinc/63/72/66/1440637266.db2.gz AHFVIQZMZGQLPR-OAHLLOKOSA-N 1 2 334.435 3.012 20 30 EGEDLO C#CCCCCC(=O)NC1(C)CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001754626036 1440646329 /nfs/dbraw/zinc/64/63/29/1440646329.db2.gz OEPJYLFOBZVLFC-UHFFFAOYSA-N 1 2 343.471 3.216 20 30 EGEDLO C=CC(C)(C)C(=O)NCC1(C)CC[NH+]([C@@H](C)c2csnn2)CC1 ZINC001754718817 1440672408 /nfs/dbraw/zinc/67/24/08/1440672408.db2.gz NUEHTMUHYQWYNZ-ZDUSSCGKSA-N 1 2 336.505 3.030 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(C)(CNC(=O)c2ccc(Cl)[nH]2)CC1 ZINC001754720472 1440672962 /nfs/dbraw/zinc/67/29/62/1440672962.db2.gz PROKGJUSKBUFFZ-UHFFFAOYSA-N 1 2 330.259 3.253 20 30 EGEDLO C=CCC1(C(=O)NCC2([NH2+]Cc3csnn3)CCC2)CCCCC1 ZINC001754992571 1440724878 /nfs/dbraw/zinc/72/48/78/1440724878.db2.gz ITHVUAIEHCYCPO-UHFFFAOYSA-N 1 2 348.516 3.193 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1COC2(C[NH+](Cc3cc(C)sc3C)C2)C1 ZINC001755063723 1440744636 /nfs/dbraw/zinc/74/46/36/1440744636.db2.gz PIVRETGGJNXUTE-MRXNPFEDSA-N 1 2 348.512 3.037 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)CCCC1CCCCC1)CO2 ZINC001755065755 1440745153 /nfs/dbraw/zinc/74/51/53/1440745153.db2.gz RCIXERIXIHJTHY-SFHVURJKSA-N 1 2 334.504 3.273 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+](Cc3cnns3)[C@@H](C)C2)CCCC1 ZINC001755165701 1440767098 /nfs/dbraw/zinc/76/70/98/1440767098.db2.gz QFOSFZMGLOEZRU-LSDHHAIUSA-N 1 2 348.516 3.144 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3cnns3)[C@@H](C)C2)CCCC1 ZINC001755165701 1440767099 /nfs/dbraw/zinc/76/70/99/1440767099.db2.gz QFOSFZMGLOEZRU-LSDHHAIUSA-N 1 2 348.516 3.144 20 30 EGEDLO C=C(Br)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)C1CC1 ZINC001755365870 1440834314 /nfs/dbraw/zinc/83/43/14/1440834314.db2.gz WKEBHFFGOWRWIL-HIFRSBDPSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)C1CC1 ZINC001755365870 1440834315 /nfs/dbraw/zinc/83/43/15/1440834315.db2.gz WKEBHFFGOWRWIL-HIFRSBDPSA-N 1 2 343.309 3.302 20 30 EGEDLO C[C@@H](NC(=O)/C=C/C(C)(C)C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001755380591 1440839210 /nfs/dbraw/zinc/83/92/10/1440839210.db2.gz HJAOTHODHSELNV-HSBSLETESA-N 1 2 343.446 3.236 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CCC[N@H+](Cc2cc3n(n2)CCCC3)[C@@H]1C ZINC001755723131 1440908423 /nfs/dbraw/zinc/90/84/23/1440908423.db2.gz QCUWSKWGLMLTIM-APWZRJJASA-N 1 2 344.503 3.045 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc3n(n2)CCCC3)[C@@H]1C ZINC001755723131 1440908424 /nfs/dbraw/zinc/90/84/24/1440908424.db2.gz QCUWSKWGLMLTIM-APWZRJJASA-N 1 2 344.503 3.045 20 30 EGEDLO C=CCC[C@@H](C)[NH2+]C[C@@H](NC(=O)c1cc2cccn2cn1)C(C)(C)C ZINC001755826711 1440927543 /nfs/dbraw/zinc/92/75/43/1440927543.db2.gz WYIMQCAQGQKQEP-CRAIPNDOSA-N 1 2 342.487 3.423 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H](C[NH2+][C@H](C)c1noc(C)n1)C(C)(C)C ZINC001755830114 1440928406 /nfs/dbraw/zinc/92/84/06/1440928406.db2.gz KCTYMZJEGGVUFK-TZMCWYRMSA-N 1 2 336.480 3.162 20 30 EGEDLO C=C(C)CCC(=O)NC1CC(N(C)C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001756746362 1441051636 /nfs/dbraw/zinc/05/16/36/1441051636.db2.gz CVHYIIVJCNFPNW-UHFFFAOYSA-N 1 2 343.471 3.082 20 30 EGEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc(Br)cc1F ZINC000098071990 219077818 /nfs/dbraw/zinc/07/78/18/219077818.db2.gz WUBIIXAXXJBALP-UHFFFAOYSA-N 1 2 327.197 3.201 20 30 EGEDLO C=C1CC[NH+](Cc2csc(CC(=O)Nc3ccccc3)n2)CC1 ZINC000266763508 201219584 /nfs/dbraw/zinc/21/95/84/201219584.db2.gz UPFYOEDPWMXIKS-UHFFFAOYSA-N 1 2 327.453 3.476 20 30 EGEDLO C=CCN(C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC000271505278 201245154 /nfs/dbraw/zinc/24/51/54/201245154.db2.gz JORPRZFKNJLEKI-HOTGVXAUSA-N 1 2 343.471 3.478 20 30 EGEDLO C=CC[C@@H](C)NC(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270231147 201237277 /nfs/dbraw/zinc/23/72/77/201237277.db2.gz NXTZSNVTYCMATO-GDBMZVCRSA-N 1 2 326.444 3.483 20 30 EGEDLO C=C(Cl)C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272560843 201250388 /nfs/dbraw/zinc/25/03/88/201250388.db2.gz DYUHFXJARVNNBB-UHFFFAOYSA-N 1 2 336.722 3.089 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279630497 201321320 /nfs/dbraw/zinc/32/13/20/201321320.db2.gz YZXLQHLLMYQKEU-FQEVSTJZSA-N 1 2 345.487 3.154 20 30 EGEDLO N#Cc1cc(N2CCN(c3cccc[nH+]3)CC2)ccc1C(F)(F)F ZINC000154076882 201394145 /nfs/dbraw/zinc/39/41/45/201394145.db2.gz NPNBZGHLWQNYSZ-UHFFFAOYSA-N 1 2 332.329 3.299 20 30 EGEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)NCc2cc(C#N)ccc2F)c1 ZINC000076069921 203335383 /nfs/dbraw/zinc/33/53/83/203335383.db2.gz NAFWERACZFLHRD-UHFFFAOYSA-N 1 2 349.369 3.420 20 30 EGEDLO C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104716035 204116123 /nfs/dbraw/zinc/11/61/23/204116123.db2.gz GJOQQSKFMQBUQU-CYBMUJFWSA-N 1 2 338.411 3.423 20 30 EGEDLO N#Cc1ccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1 ZINC000109582152 204289259 /nfs/dbraw/zinc/28/92/59/204289259.db2.gz DNRVVFMVOXYLFI-UHFFFAOYSA-N 1 2 346.390 3.107 20 30 EGEDLO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2sccc2C#N)o1 ZINC000130879006 205262550 /nfs/dbraw/zinc/26/25/50/205262550.db2.gz ZQBGUMSWSOFWIL-CQSZACIVSA-N 1 2 345.424 3.135 20 30 EGEDLO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2sccc2C#N)o1 ZINC000130879006 205262553 /nfs/dbraw/zinc/26/25/53/205262553.db2.gz ZQBGUMSWSOFWIL-CQSZACIVSA-N 1 2 345.424 3.135 20 30 EGEDLO N#Cc1ccc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)c(F)c1 ZINC000264044180 246010418 /nfs/dbraw/zinc/01/04/18/246010418.db2.gz KTPVRYRJCNTCQX-LJQANCHMSA-N 1 2 325.387 3.183 20 30 EGEDLO Cc1noc(C)c1C[NH+]1CCN(c2c(Cl)cccc2C#N)CC1 ZINC000266199485 248167435 /nfs/dbraw/zinc/16/74/35/248167435.db2.gz CWNSUKIYAXSNJM-UHFFFAOYSA-N 1 2 330.819 3.139 20 30 EGEDLO COc1ccc([C@@H](CO)[N@H+](C)Cc2ccc(Cl)cc2C#N)cc1 ZINC000187035127 533128056 /nfs/dbraw/zinc/12/80/56/533128056.db2.gz ZQOITNNRRSJYLB-GOSISDBHSA-N 1 2 330.815 3.386 20 30 EGEDLO COc1ccc([C@@H](CO)[N@@H+](C)Cc2ccc(Cl)cc2C#N)cc1 ZINC000187035127 533128061 /nfs/dbraw/zinc/12/80/61/533128061.db2.gz ZQOITNNRRSJYLB-GOSISDBHSA-N 1 2 330.815 3.386 20 30 EGEDLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1cccc(C#N)c1 ZINC000187118037 144152947 /nfs/dbraw/zinc/15/29/47/144152947.db2.gz RLQDSSPKCGSJQU-UHFFFAOYSA-N 1 2 348.855 3.295 20 30 EGEDLO N#Cc1cc(N2CCC(CCCn3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000361626338 144339383 /nfs/dbraw/zinc/33/93/83/144339383.db2.gz ILOAEHXGICLOBS-UHFFFAOYSA-N 1 2 339.399 3.360 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)cc1F)[C@H]1CCCN(c2ccccc2)C1=O ZINC000115571531 152020383 /nfs/dbraw/zinc/02/03/83/152020383.db2.gz FBCXEIKTAWOVMD-IBGZPJMESA-N 1 2 337.398 3.325 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CCCN(c2ccccc2)C1=O ZINC000115571531 152020387 /nfs/dbraw/zinc/02/03/87/152020387.db2.gz FBCXEIKTAWOVMD-IBGZPJMESA-N 1 2 337.398 3.325 20 30 EGEDLO COc1ccc2ccccc2c1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115596342 152020495 /nfs/dbraw/zinc/02/04/95/152020495.db2.gz VTWVLEHPOMGPOT-FQEVSTJZSA-N 1 2 345.402 3.036 20 30 EGEDLO Cn1cc(C[N@@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)cc1C#N ZINC000191417118 153194012 /nfs/dbraw/zinc/19/40/12/153194012.db2.gz NLQMOYKIBPAAER-KRWDZBQOSA-N 1 2 349.356 3.489 20 30 EGEDLO Cn1cc(C[N@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)cc1C#N ZINC000191417118 153194016 /nfs/dbraw/zinc/19/40/16/153194016.db2.gz NLQMOYKIBPAAER-KRWDZBQOSA-N 1 2 349.356 3.489 20 30 EGEDLO N#Cc1c(C[NH+]2CCN(c3ccccc3C#N)CC2)cn2ccccc12 ZINC000101554568 162049977 /nfs/dbraw/zinc/04/99/77/162049977.db2.gz FREVPOKRLDDQGL-UHFFFAOYSA-N 1 2 341.418 3.005 20 30 EGEDLO CC[N@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCN(c2ccccc2)C1=O ZINC000111252806 162148303 /nfs/dbraw/zinc/14/83/03/162148303.db2.gz KPQKVFLKZJZZNO-LJQANCHMSA-N 1 2 337.398 3.325 20 30 EGEDLO CC[N@@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCN(c2ccccc2)C1=O ZINC000111252806 162148305 /nfs/dbraw/zinc/14/83/05/162148305.db2.gz KPQKVFLKZJZZNO-LJQANCHMSA-N 1 2 337.398 3.325 20 30 EGEDLO CC[N@H+](Cc1cc(C#N)ccc1F)[C@H]1CCN(c2ccccc2)C1=O ZINC000111252807 162149932 /nfs/dbraw/zinc/14/99/32/162149932.db2.gz KPQKVFLKZJZZNO-IBGZPJMESA-N 1 2 337.398 3.325 20 30 EGEDLO CC[N@@H+](Cc1cc(C#N)ccc1F)[C@H]1CCN(c2ccccc2)C1=O ZINC000111252807 162149935 /nfs/dbraw/zinc/14/99/35/162149935.db2.gz KPQKVFLKZJZZNO-IBGZPJMESA-N 1 2 337.398 3.325 20 30 EGEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)Cc2ccc(C#N)cc2)c1 ZINC000114167840 162224020 /nfs/dbraw/zinc/22/40/20/162224020.db2.gz FBFLPOWOJTWYHL-UHFFFAOYSA-N 1 2 330.391 3.325 20 30 EGEDLO N#Cc1ccc(C[N@H+](Cc2cn(-c3ccccc3)nn2)C2CC2)cc1 ZINC000338918091 163385117 /nfs/dbraw/zinc/38/51/17/163385117.db2.gz SAWXVBAHRFXKAS-UHFFFAOYSA-N 1 2 329.407 3.304 20 30 EGEDLO N#Cc1ccc(C[N@@H+](Cc2cn(-c3ccccc3)nn2)C2CC2)cc1 ZINC000338918091 163385121 /nfs/dbraw/zinc/38/51/21/163385121.db2.gz SAWXVBAHRFXKAS-UHFFFAOYSA-N 1 2 329.407 3.304 20 30 EGEDLO C[C@@H]1CCC[C@@H]1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000346506187 164388343 /nfs/dbraw/zinc/38/83/43/164388343.db2.gz QZJKRLGEYJXCIT-VQIMIIECSA-N 1 2 325.456 3.029 20 30 EGEDLO Cc1nsc(N2CC[NH+](CCO[C@H]3CCCC[C@@H]3C)CC2)c1C#N ZINC000352189655 165275688 /nfs/dbraw/zinc/27/56/88/165275688.db2.gz NTQLOVBBDKKGMG-YOEHRIQHSA-N 1 2 348.516 3.041 20 30 EGEDLO C[C@H](Oc1ccc(C#N)cc1)c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000355664400 166277721 /nfs/dbraw/zinc/27/77/21/166277721.db2.gz WRVNMURYNVLGBT-ZDUSSCGKSA-N 1 2 345.362 3.320 20 30 EGEDLO Cc1[nH+]c[nH]c1CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000359518203 167177708 /nfs/dbraw/zinc/17/77/08/167177708.db2.gz QKGUTANTTZRQGU-UHFFFAOYSA-N 1 2 346.390 3.099 20 30 EGEDLO C[N@H+](Cc1cccc(C(F)(F)F)c1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360289652 167290419 /nfs/dbraw/zinc/29/04/19/167290419.db2.gz CITPHWPFHXVONI-INIZCTEOSA-N 1 2 347.340 3.235 20 30 EGEDLO C[N@@H+](Cc1cccc(C(F)(F)F)c1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360289652 167290423 /nfs/dbraw/zinc/29/04/23/167290423.db2.gz CITPHWPFHXVONI-INIZCTEOSA-N 1 2 347.340 3.235 20 30 EGEDLO N#Cc1ccc(/C=C/C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000298657794 270043145 /nfs/dbraw/zinc/04/31/45/270043145.db2.gz MMZBIVWOOGGTIV-CMDGGOBGSA-N 1 2 346.434 3.273 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCOc1cccc(C)c1 ZINC000176993272 265221858 /nfs/dbraw/zinc/22/18/58/265221858.db2.gz SNIXVUYGDNOJET-IBGZPJMESA-N 1 2 338.407 3.092 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCOc1cccc(C)c1 ZINC000176993272 265221860 /nfs/dbraw/zinc/22/18/60/265221860.db2.gz SNIXVUYGDNOJET-IBGZPJMESA-N 1 2 338.407 3.092 20 30 EGEDLO CCc1nc(C)c(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)o1 ZINC000428972040 270050317 /nfs/dbraw/zinc/05/03/17/270050317.db2.gz WVPQUXVSFKBAOD-UHFFFAOYSA-N 1 2 344.846 3.393 20 30 EGEDLO CC1(C)C[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC(C)(C)O1 ZINC000442885064 266971905 /nfs/dbraw/zinc/97/19/05/266971905.db2.gz JSNKLJSALMBWMK-UHFFFAOYSA-N 1 2 335.835 3.040 20 30 EGEDLO C[C@@H]1CN(c2ccc(Nc3nc(Cl)c(C#N)s3)c[nH+]2)C[C@@H](C)O1 ZINC000286441971 267063097 /nfs/dbraw/zinc/06/30/97/267063097.db2.gz QXAQOIOPOLWSJA-NXEZZACHSA-N 1 2 349.847 3.420 20 30 EGEDLO CC[N@H+](Cc1nc(C(=O)OC)cs1)[C@@H](C)c1ccc(C#N)cc1 ZINC000450289660 267073106 /nfs/dbraw/zinc/07/31/06/267073106.db2.gz VLPLBLWXZXQFEZ-LBPRGKRZSA-N 1 2 329.425 3.384 20 30 EGEDLO CC[N@@H+](Cc1nc(C(=O)OC)cs1)[C@@H](C)c1ccc(C#N)cc1 ZINC000450289660 267073108 /nfs/dbraw/zinc/07/31/08/267073108.db2.gz VLPLBLWXZXQFEZ-LBPRGKRZSA-N 1 2 329.425 3.384 20 30 EGEDLO Cc1nc(NC2CCN(c3ccc(C#N)cn3)CC2)c2c([nH+]1)CCCC2 ZINC000302037022 267636869 /nfs/dbraw/zinc/63/68/69/267636869.db2.gz FZBSMWVLRVFCKM-UHFFFAOYSA-N 1 2 348.454 3.011 20 30 EGEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)nc1 ZINC000366543245 268184568 /nfs/dbraw/zinc/18/45/68/268184568.db2.gz GIUBNCLZBSSGJA-LBPRGKRZSA-N 1 2 347.777 3.105 20 30 EGEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)nc1 ZINC000366543245 268184572 /nfs/dbraw/zinc/18/45/72/268184572.db2.gz GIUBNCLZBSSGJA-LBPRGKRZSA-N 1 2 347.777 3.105 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCCC3(F)F)CC2)cc1 ZINC000448579523 268221408 /nfs/dbraw/zinc/22/14/08/268221408.db2.gz TVEZUUUNRPQAJS-KRWDZBQOSA-N 1 2 347.409 3.028 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCC(F)(F)C3)CC2)cc1 ZINC000282189373 275610029 /nfs/dbraw/zinc/61/00/29/275610029.db2.gz WJKRNPOYEBWKIK-QGZVFWFLSA-N 1 2 347.409 3.028 20 30 EGEDLO N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc3[nH+]ccn3c2)c1 ZINC000171178380 307942892 /nfs/dbraw/zinc/94/28/92/307942892.db2.gz HQASHMVUGOYNOM-UHFFFAOYSA-N 1 2 328.278 3.060 20 30 EGEDLO C[C@](O)(C1CC[NH+](Cc2ccc(F)cc2C#N)CC1)C(F)(F)F ZINC000546638422 314841842 /nfs/dbraw/zinc/84/18/42/314841842.db2.gz BKBKPYSOQXEJPS-HNNXBMFYSA-N 1 2 330.325 3.223 20 30 EGEDLO CC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C ZINC000552034636 315191466 /nfs/dbraw/zinc/19/14/66/315191466.db2.gz RADZVKOTTWKCEE-GOSISDBHSA-N 1 2 343.471 3.237 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C1CC1 ZINC000572616667 317365748 /nfs/dbraw/zinc/36/57/48/317365748.db2.gz XHVLWJBYXMZZPU-MSOLQXFVSA-N 1 2 349.438 3.120 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C1CC1 ZINC000572616668 317365858 /nfs/dbraw/zinc/36/58/58/317365858.db2.gz XHVLWJBYXMZZPU-QZTJIDSGSA-N 1 2 349.438 3.120 20 30 EGEDLO Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCCc4cc(C#N)ccc43)ccn12 ZINC000573576565 317505014 /nfs/dbraw/zinc/50/50/14/317505014.db2.gz LFTNFFADHPSRGJ-GOSISDBHSA-N 1 2 330.391 3.322 20 30 EGEDLO Cn1c2ccccc2[nH+]c1Cn1cc(C#N)c(=O)c2cc(Cl)ccc21 ZINC000171556131 323240452 /nfs/dbraw/zinc/24/04/52/323240452.db2.gz ZXLJGSUIMLTKQO-UHFFFAOYSA-N 1 2 348.793 3.462 20 30 EGEDLO Cc1oc2nc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)nc(N)c2c1C ZINC000178008952 323349489 /nfs/dbraw/zinc/34/94/89/323349489.db2.gz SCADYEIGYNFUCD-UHFFFAOYSA-N 1 2 347.422 3.458 20 30 EGEDLO Cc1oc2nc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)nc(N)c2c1C ZINC000178008952 323349493 /nfs/dbraw/zinc/34/94/93/323349493.db2.gz SCADYEIGYNFUCD-UHFFFAOYSA-N 1 2 347.422 3.458 20 30 EGEDLO Cn1c2ccccc2[nH+]c1N1CCCN(c2ccccc2C#N)CC1 ZINC000179283001 323378739 /nfs/dbraw/zinc/37/87/39/323378739.db2.gz ONOHUJOLNWOZCN-UHFFFAOYSA-N 1 2 331.423 3.162 20 30 EGEDLO Cn1cc[nH+]c1[C@H](Nc1ncc(Br)cc1C#N)C1CC1 ZINC000576936226 324710523 /nfs/dbraw/zinc/71/05/23/324710523.db2.gz QSJMYHQVGOKGIT-GFCCVEGCSA-N 1 2 332.205 3.012 20 30 EGEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(=Cc3cccc(F)c3)CC2)cc1 ZINC000579422848 325106359 /nfs/dbraw/zinc/10/63/59/325106359.db2.gz BJCLZHQTJQEGRD-FQEVSTJZSA-N 1 2 349.409 3.403 20 30 EGEDLO COc1ccccc1N1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000157730156 455225566 /nfs/dbraw/zinc/22/55/66/455225566.db2.gz TWSJZYGTTVJPGS-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO CCOCc1ccccc1CNC(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000264697437 455265850 /nfs/dbraw/zinc/26/58/50/455265850.db2.gz GNFNEXSNQKNKCM-UHFFFAOYSA-N 1 2 345.487 3.101 20 30 EGEDLO CCOCc1ccccc1CNC(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000264697437 455265852 /nfs/dbraw/zinc/26/58/52/455265852.db2.gz GNFNEXSNQKNKCM-UHFFFAOYSA-N 1 2 345.487 3.101 20 30 EGEDLO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612165622 460556987 /nfs/dbraw/zinc/55/69/87/460556987.db2.gz ODAKNFTVZYQDOJ-RZQQEMMASA-N 1 2 327.472 3.440 20 30 EGEDLO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612165622 460556991 /nfs/dbraw/zinc/55/69/91/460556991.db2.gz ODAKNFTVZYQDOJ-RZQQEMMASA-N 1 2 327.472 3.440 20 30 EGEDLO C[C@]1(C#N)CCC[N@H+](C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000612164719 460557261 /nfs/dbraw/zinc/55/72/61/460557261.db2.gz GFNNTXBSYGMJGX-GOEBONIOSA-N 1 2 342.361 3.071 20 30 EGEDLO C[C@]1(C#N)CCC[N@@H+](C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000612164719 460557266 /nfs/dbraw/zinc/55/72/66/460557266.db2.gz GFNNTXBSYGMJGX-GOEBONIOSA-N 1 2 342.361 3.071 20 30 EGEDLO C=C(C)CN(C)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000181385894 455327091 /nfs/dbraw/zinc/32/70/91/455327091.db2.gz XIDRKKAZQMGQRP-UHFFFAOYSA-N 1 2 326.444 3.233 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000007858085 453128176 /nfs/dbraw/zinc/12/81/76/453128176.db2.gz SIIZZGDEVJYMSE-UHFFFAOYSA-N 1 2 329.400 3.362 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@H+](Cc1ccccc1F)C1CC1 ZINC000007858085 453128183 /nfs/dbraw/zinc/12/81/83/453128183.db2.gz SIIZZGDEVJYMSE-UHFFFAOYSA-N 1 2 329.400 3.362 20 30 EGEDLO CSc1ccc(OCCO[NH+]=C(N)Cc2csc(C)n2)cc1 ZINC000174120748 455361837 /nfs/dbraw/zinc/36/18/37/455361837.db2.gz APWALORFKBBRIX-UHFFFAOYSA-N 1 2 337.470 3.084 20 30 EGEDLO Cc1ccccc1N1CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000025411595 453770445 /nfs/dbraw/zinc/77/04/45/453770445.db2.gz LKRUCDPRFWINCW-QGZVFWFLSA-N 1 2 348.450 3.016 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccccc3F)CC2)cc1 ZINC000028797340 453824665 /nfs/dbraw/zinc/82/46/65/453824665.db2.gz ZBZFPETWIKZQMF-UHFFFAOYSA-N 1 2 338.386 3.047 20 30 EGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000029859232 453832137 /nfs/dbraw/zinc/83/21/37/453832137.db2.gz LZFHWDAPYBJDLU-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nc(CC(F)(F)F)no1 ZINC000075673978 453916734 /nfs/dbraw/zinc/91/67/34/453916734.db2.gz OPYJKRASZQFFJX-UHFFFAOYSA-N 1 2 325.334 3.405 20 30 EGEDLO C=CC[N@H+](CCc1ccccc1)Cc1nc(CC(F)(F)F)no1 ZINC000075673978 453916738 /nfs/dbraw/zinc/91/67/38/453916738.db2.gz OPYJKRASZQFFJX-UHFFFAOYSA-N 1 2 325.334 3.405 20 30 EGEDLO N#Cc1nc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)ccc1Cl ZINC000067349319 453923472 /nfs/dbraw/zinc/92/34/72/453923472.db2.gz AUWCDYWQGRZFOE-KRWDZBQOSA-N 1 2 342.830 3.092 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)c(F)c1 ZINC000054363338 453926128 /nfs/dbraw/zinc/92/61/28/453926128.db2.gz SIXKPODMOUEWJY-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)c(F)c1 ZINC000054363338 453926133 /nfs/dbraw/zinc/92/61/33/453926133.db2.gz SIXKPODMOUEWJY-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000245889304 455393084 /nfs/dbraw/zinc/39/30/84/455393084.db2.gz RJPWCRAEHPFKRT-ZWKOTPCHSA-N 1 2 340.471 3.420 20 30 EGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000245889304 455393089 /nfs/dbraw/zinc/39/30/89/455393089.db2.gz RJPWCRAEHPFKRT-ZWKOTPCHSA-N 1 2 340.471 3.420 20 30 EGEDLO CCN(CC#N)C(=O)c1ccc(OCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000068240996 454009983 /nfs/dbraw/zinc/00/99/83/454009983.db2.gz FYJNCOSDOJGACY-UHFFFAOYSA-N 1 2 348.406 3.207 20 30 EGEDLO COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612406794 460622444 /nfs/dbraw/zinc/62/24/44/460622444.db2.gz UBRSXSNUFWGSEH-LJQANCHMSA-N 1 2 342.395 3.354 20 30 EGEDLO COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612406794 460622448 /nfs/dbraw/zinc/62/24/48/460622448.db2.gz UBRSXSNUFWGSEH-LJQANCHMSA-N 1 2 342.395 3.354 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000076948246 454051657 /nfs/dbraw/zinc/05/16/57/454051657.db2.gz YYDLKXLQDOECAX-WMLDXEAASA-N 1 2 329.444 3.130 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000076948246 454051661 /nfs/dbraw/zinc/05/16/61/454051661.db2.gz YYDLKXLQDOECAX-WMLDXEAASA-N 1 2 329.444 3.130 20 30 EGEDLO C=CC[N@@H+](CC(=O)N1[C@H](C)CCC[C@H]1C)Cc1cccc(C#N)c1 ZINC000068855659 454060004 /nfs/dbraw/zinc/06/00/04/454060004.db2.gz TZTJMZYQOGHDOK-IAGOWNOFSA-N 1 2 325.456 3.336 20 30 EGEDLO C=CC[N@H+](CC(=O)N1[C@H](C)CCC[C@H]1C)Cc1cccc(C#N)c1 ZINC000068855659 454060008 /nfs/dbraw/zinc/06/00/08/454060008.db2.gz TZTJMZYQOGHDOK-IAGOWNOFSA-N 1 2 325.456 3.336 20 30 EGEDLO CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056895271 454089124 /nfs/dbraw/zinc/08/91/24/454089124.db2.gz ZELKYLMTCHZQGK-UHFFFAOYSA-N 1 2 345.406 3.086 20 30 EGEDLO N#CC1CC[NH+](CC(=O)N(Cc2ccccc2)c2ccccc2)CC1 ZINC000057879223 454154235 /nfs/dbraw/zinc/15/42/35/454154235.db2.gz LSQZBMCFWVZADI-UHFFFAOYSA-N 1 2 333.435 3.455 20 30 EGEDLO CN(Cc1cccc(C#N)c1)c1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000045933120 454197082 /nfs/dbraw/zinc/19/70/82/454197082.db2.gz FAQLTYSRNRVWKD-UHFFFAOYSA-N 1 2 340.390 3.324 20 30 EGEDLO O=C(/C=C/c1ccsc1)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000119819961 454223334 /nfs/dbraw/zinc/22/33/34/454223334.db2.gz XCPXLDUVKITECW-HNQUOIGGSA-N 1 2 329.421 3.182 20 30 EGEDLO C=CC[N@@H+](CC(=O)N(C)Cc1ccc(OC)cc1)Cc1cccs1 ZINC000078527317 454269614 /nfs/dbraw/zinc/26/96/14/454269614.db2.gz FVFGPELYDZXTSU-UHFFFAOYSA-N 1 2 344.480 3.403 20 30 EGEDLO C=CC[N@H+](CC(=O)N(C)Cc1ccc(OC)cc1)Cc1cccs1 ZINC000078527317 454269616 /nfs/dbraw/zinc/26/96/16/454269616.db2.gz FVFGPELYDZXTSU-UHFFFAOYSA-N 1 2 344.480 3.403 20 30 EGEDLO N#C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1cccc(Cl)c1Cl ZINC000132273891 454326005 /nfs/dbraw/zinc/32/60/05/454326005.db2.gz XRHFBIIZBJKHCD-QMTHXVAHSA-N 1 2 349.221 3.133 20 30 EGEDLO C=CC[N@@H+](CC(=O)N1CCCC[C@H]1CC)Cc1cccc(C#N)c1 ZINC000063300484 454403690 /nfs/dbraw/zinc/40/36/90/454403690.db2.gz OUGBLNHRQOVLSL-LJQANCHMSA-N 1 2 325.456 3.337 20 30 EGEDLO C=CC[N@H+](CC(=O)N1CCCC[C@H]1CC)Cc1cccc(C#N)c1 ZINC000063300484 454403694 /nfs/dbraw/zinc/40/36/94/454403694.db2.gz OUGBLNHRQOVLSL-LJQANCHMSA-N 1 2 325.456 3.337 20 30 EGEDLO Cc1ccccc1Cc1noc(C[N@@H+](C)Cc2cccc(C#N)c2)n1 ZINC000079399209 454409906 /nfs/dbraw/zinc/40/99/06/454409906.db2.gz NLXSOGLLLKEMMF-UHFFFAOYSA-N 1 2 332.407 3.473 20 30 EGEDLO Cc1ccccc1Cc1noc(C[N@H+](C)Cc2cccc(C#N)c2)n1 ZINC000079399209 454409912 /nfs/dbraw/zinc/40/99/12/454409912.db2.gz NLXSOGLLLKEMMF-UHFFFAOYSA-N 1 2 332.407 3.473 20 30 EGEDLO CC[C@@]1(C)C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CCO1 ZINC000135585809 454691774 /nfs/dbraw/zinc/69/17/74/454691774.db2.gz UCNHTHGERRFRQQ-SFHVURJKSA-N 1 2 349.862 3.088 20 30 EGEDLO CC[C@@]1(C)C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CCO1 ZINC000135585809 454691777 /nfs/dbraw/zinc/69/17/77/454691777.db2.gz UCNHTHGERRFRQQ-SFHVURJKSA-N 1 2 349.862 3.088 20 30 EGEDLO CCc1ccc(C2=CC[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)cc1 ZINC000093263718 454697007 /nfs/dbraw/zinc/69/70/07/454697007.db2.gz BXVCCHRSWUQELX-OAQYLSRUSA-N 1 2 337.467 3.147 20 30 EGEDLO CCc1ccc(C2=CC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)cc1 ZINC000093263718 454697013 /nfs/dbraw/zinc/69/70/13/454697013.db2.gz BXVCCHRSWUQELX-OAQYLSRUSA-N 1 2 337.467 3.147 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000153196258 454769577 /nfs/dbraw/zinc/76/95/77/454769577.db2.gz CAOJHHJRVCRMNA-SCLBCKFNSA-N 1 2 333.863 3.141 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000153196258 454769581 /nfs/dbraw/zinc/76/95/81/454769581.db2.gz CAOJHHJRVCRMNA-SCLBCKFNSA-N 1 2 333.863 3.141 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c(C#N)c1C ZINC000176882516 454794680 /nfs/dbraw/zinc/79/46/80/454794680.db2.gz ZOKQUFUEKOVHJG-LLVKDONJSA-N 1 2 345.390 3.449 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c(C#N)c1C ZINC000176882516 454794683 /nfs/dbraw/zinc/79/46/83/454794683.db2.gz ZOKQUFUEKOVHJG-LLVKDONJSA-N 1 2 345.390 3.449 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCOC2(CCCC2)C1 ZINC000139765285 454811218 /nfs/dbraw/zinc/81/12/18/454811218.db2.gz PGEMOIWWOAGEML-INIZCTEOSA-N 1 2 348.512 3.296 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCOC2(CCCC2)C1 ZINC000139765285 454811220 /nfs/dbraw/zinc/81/12/20/454811220.db2.gz PGEMOIWWOAGEML-INIZCTEOSA-N 1 2 348.512 3.296 20 30 EGEDLO CCOCCC1(C[NH2+][C@@H](C(=O)OC)c2cccc(C#N)c2)CCCC1 ZINC000151025733 454927005 /nfs/dbraw/zinc/92/70/05/454927005.db2.gz DYLCIYCLUPVYKI-GOSISDBHSA-N 1 2 344.455 3.349 20 30 EGEDLO N#Cc1ccc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)c(F)c1 ZINC000170639285 454946160 /nfs/dbraw/zinc/94/61/60/454946160.db2.gz JVKTXZAXPDCMBH-INIZCTEOSA-N 1 2 331.416 3.244 20 30 EGEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCCOC(C)(C)C)c2)n1 ZINC000170641662 454947198 /nfs/dbraw/zinc/94/71/98/454947198.db2.gz IBWFRTMKBDRZFD-UHFFFAOYSA-N 1 2 344.459 3.000 20 30 EGEDLO C#CCCCCNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000155071934 454959713 /nfs/dbraw/zinc/95/97/13/454959713.db2.gz DWJMTKVKJPWPEG-UHFFFAOYSA-N 1 2 342.487 3.133 20 30 EGEDLO N#CCC[N@H+](Cc1ccco1)C[C@@H](O)c1ccc(Br)cc1 ZINC000267053432 455497206 /nfs/dbraw/zinc/49/72/06/455497206.db2.gz GTHNPVSMXFBQKX-MRXNPFEDSA-N 1 2 349.228 3.491 20 30 EGEDLO N#CCC[N@@H+](Cc1ccco1)C[C@@H](O)c1ccc(Br)cc1 ZINC000267053432 455497211 /nfs/dbraw/zinc/49/72/11/455497211.db2.gz GTHNPVSMXFBQKX-MRXNPFEDSA-N 1 2 349.228 3.491 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccncc2)c(C#N)c1C ZINC000127518956 454973119 /nfs/dbraw/zinc/97/31/19/454973119.db2.gz UOVYKUGDVGODPS-LBPRGKRZSA-N 1 2 328.441 3.263 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+](C)[C@@H](C)c2ccncc2)c(C#N)c1C ZINC000127518956 454973127 /nfs/dbraw/zinc/97/31/27/454973127.db2.gz UOVYKUGDVGODPS-LBPRGKRZSA-N 1 2 328.441 3.263 20 30 EGEDLO CCOc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000114725011 454973810 /nfs/dbraw/zinc/97/38/10/454973810.db2.gz HUQREDBCFCRGGZ-HNNXBMFYSA-N 1 2 337.423 3.416 20 30 EGEDLO CCOc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000114725011 454973814 /nfs/dbraw/zinc/97/38/14/454973814.db2.gz HUQREDBCFCRGGZ-HNNXBMFYSA-N 1 2 337.423 3.416 20 30 EGEDLO C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000267070238 455497679 /nfs/dbraw/zinc/49/76/79/455497679.db2.gz VNAGFXJWPUOHQR-AWEZNQCLSA-N 1 2 339.443 3.122 20 30 EGEDLO C[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(Cl)c(F)c1 ZINC000127781944 454997005 /nfs/dbraw/zinc/99/70/05/454997005.db2.gz ZOQMOPQLDBZNML-UHFFFAOYSA-N 1 2 337.807 3.483 20 30 EGEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(Cl)c(F)c1 ZINC000127781944 454997008 /nfs/dbraw/zinc/99/70/08/454997008.db2.gz ZOQMOPQLDBZNML-UHFFFAOYSA-N 1 2 337.807 3.483 20 30 EGEDLO C=C(C)CN(CC)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000115842901 455033755 /nfs/dbraw/zinc/03/37/55/455033755.db2.gz VCZFCZQLKBZESA-OAHLLOKOSA-N 1 2 325.403 3.175 20 30 EGEDLO COC[C@](C)(C#N)NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000156290376 455101793 /nfs/dbraw/zinc/10/17/93/455101793.db2.gz BVJJRKZMWUVBET-KRWDZBQOSA-N 1 2 345.786 3.186 20 30 EGEDLO CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000152379306 455110084 /nfs/dbraw/zinc/11/00/84/455110084.db2.gz NENASWRKXZXOAU-MAUKXSAKSA-N 1 2 336.439 3.124 20 30 EGEDLO COc1ccc(C[N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000173497224 455294809 /nfs/dbraw/zinc/29/48/09/455294809.db2.gz OWUDQYQHLSNNAK-UHFFFAOYSA-N 1 2 334.379 3.249 20 30 EGEDLO COc1ccc(C[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000173497224 455294811 /nfs/dbraw/zinc/29/48/11/455294811.db2.gz OWUDQYQHLSNNAK-UHFFFAOYSA-N 1 2 334.379 3.249 20 30 EGEDLO Cc1ccc(CC(=O)N2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000183972675 455345026 /nfs/dbraw/zinc/34/50/26/455345026.db2.gz WGLFUEDTMNLADM-SFHVURJKSA-N 1 2 347.462 3.315 20 30 EGEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1cc2c(s1)SCC(=O)N2 ZINC000184342424 455372231 /nfs/dbraw/zinc/37/22/31/455372231.db2.gz RWBNAFYDOQKMJS-SNAWJCMRSA-N 1 2 341.417 3.336 20 30 EGEDLO C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1c(F)cccc1Cl ZINC000181760115 455379423 /nfs/dbraw/zinc/37/94/23/455379423.db2.gz MLDWAGRGNBCZKB-LBPRGKRZSA-N 1 2 337.826 3.472 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174895372 455418029 /nfs/dbraw/zinc/41/80/29/455418029.db2.gz JTYUJWMMGPMVTE-KRWDZBQOSA-N 1 2 345.487 3.128 20 30 EGEDLO C[N@H+](CC(=O)Nc1sccc1C#N)Cc1cc2ccccc2o1 ZINC000175187034 455424160 /nfs/dbraw/zinc/42/41/60/455424160.db2.gz CKNGRQFVPZZHPQ-UHFFFAOYSA-N 1 2 325.393 3.436 20 30 EGEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1cc2ccccc2o1 ZINC000175187034 455424165 /nfs/dbraw/zinc/42/41/65/455424165.db2.gz CKNGRQFVPZZHPQ-UHFFFAOYSA-N 1 2 325.393 3.436 20 30 EGEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000191089724 455440556 /nfs/dbraw/zinc/44/05/56/455440556.db2.gz UOVRJUNNTNKYEA-UHFFFAOYSA-N 1 2 349.431 3.022 20 30 EGEDLO C=CC[N@H+](CCOC)CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000191089724 455440560 /nfs/dbraw/zinc/44/05/60/455440560.db2.gz UOVRJUNNTNKYEA-UHFFFAOYSA-N 1 2 349.431 3.022 20 30 EGEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000191137511 455450768 /nfs/dbraw/zinc/45/07/68/455450768.db2.gz HGWJEQIBQODHMN-UHFFFAOYSA-N 1 2 345.468 3.191 20 30 EGEDLO C=CC[N@H+](CCOC)CC(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000191137511 455450773 /nfs/dbraw/zinc/45/07/73/455450773.db2.gz HGWJEQIBQODHMN-UHFFFAOYSA-N 1 2 345.468 3.191 20 30 EGEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000191146788 455453067 /nfs/dbraw/zinc/45/30/67/455453067.db2.gz IGOVJQLQPAMQHX-NSHDSACASA-N 1 2 331.243 3.455 20 30 EGEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000191146788 455453072 /nfs/dbraw/zinc/45/30/72/455453072.db2.gz IGOVJQLQPAMQHX-NSHDSACASA-N 1 2 331.243 3.455 20 30 EGEDLO Cn1cc([C@@H]2CSCC[N@@H+]2CC#Cc2cccc(Cl)c2)cn1 ZINC000191166159 455456137 /nfs/dbraw/zinc/45/61/37/455456137.db2.gz HHAMOCIMJNUMBX-KRWDZBQOSA-N 1 2 331.872 3.215 20 30 EGEDLO Cn1cc([C@@H]2CSCC[N@H+]2CC#Cc2cccc(Cl)c2)cn1 ZINC000191166159 455456143 /nfs/dbraw/zinc/45/61/43/455456143.db2.gz HHAMOCIMJNUMBX-KRWDZBQOSA-N 1 2 331.872 3.215 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184892833 455467624 /nfs/dbraw/zinc/46/76/24/455467624.db2.gz XWZXIZHIFBNKRC-OAHLLOKOSA-N 1 2 327.428 3.417 20 30 EGEDLO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+](CCC#N)CC1CC1 ZINC000267039301 455495719 /nfs/dbraw/zinc/49/57/19/455495719.db2.gz CXFIJSPJQVSPMV-GOSISDBHSA-N 1 2 343.471 3.278 20 30 EGEDLO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000267039301 455495721 /nfs/dbraw/zinc/49/57/21/455495721.db2.gz CXFIJSPJQVSPMV-GOSISDBHSA-N 1 2 343.471 3.278 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)C[C@@H](O)COc1cccc(C(C)=O)c1 ZINC000267145646 455507648 /nfs/dbraw/zinc/50/76/48/455507648.db2.gz AYNLDDLFEZPKTL-LJQANCHMSA-N 1 2 346.471 3.281 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)C[C@@H](O)COc1cccc(C(C)=O)c1 ZINC000267145646 455507653 /nfs/dbraw/zinc/50/76/53/455507653.db2.gz AYNLDDLFEZPKTL-LJQANCHMSA-N 1 2 346.471 3.281 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCS[C@H](C)C1 ZINC000247047778 455550972 /nfs/dbraw/zinc/55/09/72/455550972.db2.gz GAIWXFDAJOZWGF-ZIAGYGMSSA-N 1 2 349.525 3.314 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCS[C@H](C)C1 ZINC000247047778 455550974 /nfs/dbraw/zinc/55/09/74/455550974.db2.gz GAIWXFDAJOZWGF-ZIAGYGMSSA-N 1 2 349.525 3.314 20 30 EGEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000192457200 455621206 /nfs/dbraw/zinc/62/12/06/455621206.db2.gz KQNPAPRXTSCQHJ-UHFFFAOYSA-N 1 2 332.407 3.186 20 30 EGEDLO COc1ccccc1N1CC[C@H]([N@H+](CCC#N)CCC(C)C)C1=O ZINC000192610868 455653223 /nfs/dbraw/zinc/65/32/23/455653223.db2.gz CVXXKQKCJOSVOT-KRWDZBQOSA-N 1 2 329.444 3.062 20 30 EGEDLO COc1ccccc1N1CC[C@H]([N@@H+](CCC#N)CCC(C)C)C1=O ZINC000192610868 455653225 /nfs/dbraw/zinc/65/32/25/455653225.db2.gz CVXXKQKCJOSVOT-KRWDZBQOSA-N 1 2 329.444 3.062 20 30 EGEDLO C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(C#N)cc1 ZINC000268437410 455682304 /nfs/dbraw/zinc/68/23/04/455682304.db2.gz XYANNARLUQWACU-VKJFTORMSA-N 1 2 337.427 3.108 20 30 EGEDLO N#CC1(NC(=O)C[N@H+]2CC=C(c3ccc(F)cc3)CC2)CCCCC1 ZINC000193000857 455732930 /nfs/dbraw/zinc/73/29/30/455732930.db2.gz SOAZLHLRCSCAGE-UHFFFAOYSA-N 1 2 341.430 3.257 20 30 EGEDLO N#CC1(NC(=O)C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)CCCCC1 ZINC000193000857 455732932 /nfs/dbraw/zinc/73/29/32/455732932.db2.gz SOAZLHLRCSCAGE-UHFFFAOYSA-N 1 2 341.430 3.257 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000193313021 455752959 /nfs/dbraw/zinc/75/29/59/455752959.db2.gz MQLCETWFVFPXBD-UHFFFAOYSA-N 1 2 344.418 3.408 20 30 EGEDLO C[C@@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1cccc(C#N)c1 ZINC000186436783 455768304 /nfs/dbraw/zinc/76/83/04/455768304.db2.gz LIAQERQWYPDLTB-CQSZACIVSA-N 1 2 333.395 3.106 20 30 EGEDLO CC(C)CO[C@H](C)c1noc(C[NH2+]C2(c3cccc(C#N)c3)CC2)n1 ZINC000271846055 455784487 /nfs/dbraw/zinc/78/44/87/455784487.db2.gz WTRUEEKYNYVXCJ-CQSZACIVSA-N 1 2 340.427 3.454 20 30 EGEDLO C[C@H](C[NH+]1CCOCC1)Nc1c(C#N)cnc2c(F)ccc(Cl)c21 ZINC000193971374 455789245 /nfs/dbraw/zinc/78/92/45/455789245.db2.gz BQFUEVXXKDTIDY-LLVKDONJSA-N 1 2 348.809 3.032 20 30 EGEDLO N#Cc1c(F)cccc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000186816454 455838881 /nfs/dbraw/zinc/83/88/81/455838881.db2.gz OXCFXNDKNPOFPK-UHFFFAOYSA-N 1 2 338.386 3.013 20 30 EGEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc2ccccn2)cc1 ZINC000295195650 455841773 /nfs/dbraw/zinc/84/17/73/455841773.db2.gz RROCNUVPWPDQJM-KRWDZBQOSA-N 1 2 336.439 3.157 20 30 EGEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc2ccccn2)cc1 ZINC000295195650 455841777 /nfs/dbraw/zinc/84/17/77/455841777.db2.gz RROCNUVPWPDQJM-KRWDZBQOSA-N 1 2 336.439 3.157 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000255150430 455861825 /nfs/dbraw/zinc/86/18/25/455861825.db2.gz PKZRGUVYRSVTBU-JENIJYKNSA-N 1 2 330.472 3.262 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000255150430 455861827 /nfs/dbraw/zinc/86/18/27/455861827.db2.gz PKZRGUVYRSVTBU-JENIJYKNSA-N 1 2 330.472 3.262 20 30 EGEDLO C[C@H](c1nnc(S[C@@H](C#N)C2CC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000601071398 460698226 /nfs/dbraw/zinc/69/82/26/460698226.db2.gz XCBDDVZSPYXUOA-ABAIWWIYSA-N 1 2 345.447 3.423 20 30 EGEDLO C=CC[N@@H+](CCc1cc(Cl)cc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000194723367 455877324 /nfs/dbraw/zinc/87/73/24/455877324.db2.gz QXODEXHFKXHKJJ-HNNXBMFYSA-N 1 2 348.295 3.211 20 30 EGEDLO C=CC[N@H+](CCc1cc(Cl)cc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000194723367 455877327 /nfs/dbraw/zinc/87/73/27/455877327.db2.gz QXODEXHFKXHKJJ-HNNXBMFYSA-N 1 2 348.295 3.211 20 30 EGEDLO CC(C)c1nnc([C@@H]2C[N@@H+]([C@H](C)c3cccc(C#N)c3)CCO2)o1 ZINC000279926406 455878446 /nfs/dbraw/zinc/87/84/46/455878446.db2.gz FSDJFJTYOZDWTL-CJNGLKHVSA-N 1 2 326.400 3.199 20 30 EGEDLO CC(C)c1nnc([C@@H]2C[N@H+]([C@H](C)c3cccc(C#N)c3)CCO2)o1 ZINC000279926406 455878449 /nfs/dbraw/zinc/87/84/49/455878449.db2.gz FSDJFJTYOZDWTL-CJNGLKHVSA-N 1 2 326.400 3.199 20 30 EGEDLO CC(=O)c1ccc(C#N)c(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000272353015 455922697 /nfs/dbraw/zinc/92/26/97/455922697.db2.gz DIXVMYWQUYJVEV-KBPBESRZSA-N 1 2 329.444 3.061 20 30 EGEDLO N#CCc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000270311736 455926306 /nfs/dbraw/zinc/92/63/06/455926306.db2.gz VJPNQEBGZORWBG-UHFFFAOYSA-N 1 2 340.452 3.447 20 30 EGEDLO C=C(C)[C@@H]([NH2+]Cc1cc(=O)n2ccsc2n1)c1ccc(F)c(F)c1 ZINC000187772732 455951548 /nfs/dbraw/zinc/95/15/48/455951548.db2.gz FOVJIZZIDFRROS-MRXNPFEDSA-N 1 2 347.390 3.441 20 30 EGEDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(C)(C#N)CC1 ZINC000272477164 455964908 /nfs/dbraw/zinc/96/49/08/455964908.db2.gz APLLTBDUAMEPQK-LBPRGKRZSA-N 1 2 341.371 3.331 20 30 EGEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000272594005 456006515 /nfs/dbraw/zinc/00/65/15/456006515.db2.gz PXBZSEJPEXWHRS-LBPRGKRZSA-N 1 2 335.835 3.301 20 30 EGEDLO COc1ccc([C@H](NC(=O)C[NH+]2CCC(C)(C#N)CC2)C(C)C)cc1 ZINC000272629115 456018422 /nfs/dbraw/zinc/01/84/22/456018422.db2.gz VYLACXZGYJYBGK-LJQANCHMSA-N 1 2 343.471 3.134 20 30 EGEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(CSc3ccc(C#N)cc3)n2)C1 ZINC000272715668 456049594 /nfs/dbraw/zinc/04/95/94/456049594.db2.gz YPNZHIXFCKJNKP-HNNXBMFYSA-N 1 2 344.440 3.015 20 30 EGEDLO CC(C)[N@H+]1CCO[C@H](c2noc(CSc3ccc(C#N)cc3)n2)C1 ZINC000272715668 456049602 /nfs/dbraw/zinc/04/96/02/456049602.db2.gz YPNZHIXFCKJNKP-HNNXBMFYSA-N 1 2 344.440 3.015 20 30 EGEDLO Cc1cccc([C@H](CNc2ccc(F)cc2C#N)[NH+]2CCOCC2)c1 ZINC000301328026 456091319 /nfs/dbraw/zinc/09/13/19/456091319.db2.gz AFCFFIBKYATUJE-FQEVSTJZSA-N 1 2 339.414 3.491 20 30 EGEDLO C#C[C@H](NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1)C(C)C ZINC000281146833 456146396 /nfs/dbraw/zinc/14/63/96/456146396.db2.gz VSNQHXOAEBPCOY-JKSUJKDBSA-N 1 2 344.846 3.120 20 30 EGEDLO CCOc1ccc(/C=N/OCc2cc(OC)cc(C)[nH+]2)cc1OC ZINC000271210194 456174918 /nfs/dbraw/zinc/17/49/18/456174918.db2.gz LLAHZZSWLLNLOA-YBFXNURJSA-N 1 2 330.384 3.357 20 30 EGEDLO CC1(C)C[NH+]=C(N2CCN(c3c(Cl)cccc3C#N)CC2)S1 ZINC000301732002 456200248 /nfs/dbraw/zinc/20/02/48/456200248.db2.gz FIDZYRGGDVPXSP-UHFFFAOYSA-N 1 2 334.876 3.215 20 30 EGEDLO COC(=O)[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1cc(C)cc(C)c1 ZINC000297366351 456201356 /nfs/dbraw/zinc/20/13/56/456201356.db2.gz IARWZJPTYSMSAW-GOSISDBHSA-N 1 2 344.455 3.208 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)NCCCC#N)CC1 ZINC000273288510 456222863 /nfs/dbraw/zinc/22/28/63/456222863.db2.gz SEEFODANQUYRLQ-CQSZACIVSA-N 1 2 334.851 3.032 20 30 EGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(CC#N)cc2)CC1 ZINC000274133197 456251498 /nfs/dbraw/zinc/25/14/98/456251498.db2.gz AFXSRGLVZKHJDM-HNNXBMFYSA-N 1 2 339.464 3.333 20 30 EGEDLO C=CC[C@@H](CC)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000281506698 456251942 /nfs/dbraw/zinc/25/19/42/456251942.db2.gz XBYBIDBGKXGBBO-MRXNPFEDSA-N 1 2 330.476 3.463 20 30 EGEDLO Cn1cc[nH+]c1[C@H]1N(c2ncc(Br)cc2C#N)CC1(C)C ZINC000333704181 456252734 /nfs/dbraw/zinc/25/27/34/456252734.db2.gz OQTQOAAPPZIOIR-GFCCVEGCSA-N 1 2 346.232 3.037 20 30 EGEDLO N#Cc1cc(Br)cnc1N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000297621289 456265453 /nfs/dbraw/zinc/26/54/53/456265453.db2.gz WKLXXTVWORUZDU-LBPRGKRZSA-N 1 2 332.205 3.170 20 30 EGEDLO CN(C(=O)Cc1ccc(C#N)cc1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352763166 456284774 /nfs/dbraw/zinc/28/47/74/456284774.db2.gz MBSUJBQMCXCLBB-LJQANCHMSA-N 1 2 330.391 3.072 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352777054 456297072 /nfs/dbraw/zinc/29/70/72/456297072.db2.gz FYTSUIUUCJDBBI-GOSISDBHSA-N 1 2 330.391 3.451 20 30 EGEDLO N#Cc1c(C[N@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)cn2ccccc12 ZINC000340201110 456311993 /nfs/dbraw/zinc/31/19/93/456311993.db2.gz IPGOAOUKGSDAJN-CVEARBPZSA-N 1 2 337.345 3.089 20 30 EGEDLO N#Cc1c(C[N@@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)cn2ccccc12 ZINC000340201110 456311997 /nfs/dbraw/zinc/31/19/97/456311997.db2.gz IPGOAOUKGSDAJN-CVEARBPZSA-N 1 2 337.345 3.089 20 30 EGEDLO Cn1ccnc1[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(F)cc1 ZINC000347731688 456336060 /nfs/dbraw/zinc/33/60/60/456336060.db2.gz YPKPJUVYXNATLC-INIZCTEOSA-N 1 2 326.400 3.372 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)C1=O ZINC000337189814 456337064 /nfs/dbraw/zinc/33/70/64/456337064.db2.gz RJOOQBAKCJQJLW-HZPDHXFCSA-N 1 2 336.888 3.217 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)C1=O ZINC000337189814 456337066 /nfs/dbraw/zinc/33/70/66/456337066.db2.gz RJOOQBAKCJQJLW-HZPDHXFCSA-N 1 2 336.888 3.217 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1c(C)nc2ccccn21 ZINC000352880556 456385570 /nfs/dbraw/zinc/38/55/70/456385570.db2.gz CKMJUOFRKJRZBI-UHFFFAOYSA-N 1 2 325.412 3.306 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1c(C)nc2ccccn21 ZINC000352880556 456385575 /nfs/dbraw/zinc/38/55/75/456385575.db2.gz CKMJUOFRKJRZBI-UHFFFAOYSA-N 1 2 325.412 3.306 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NCCC(C)C ZINC000352945928 456423520 /nfs/dbraw/zinc/42/35/20/456423520.db2.gz HGUCTGHYINVGIT-KRWDZBQOSA-N 1 2 334.508 3.393 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NCCC(C)C ZINC000352945928 456423523 /nfs/dbraw/zinc/42/35/23/456423523.db2.gz HGUCTGHYINVGIT-KRWDZBQOSA-N 1 2 334.508 3.393 20 30 EGEDLO Cc1[nH+]c2cc(CNC(=O)c3cccc(C#N)c3)ccc2n1C1CC1 ZINC000282925225 456665687 /nfs/dbraw/zinc/66/56/87/456665687.db2.gz OFAKILOOPRSZRY-UHFFFAOYSA-N 1 2 330.391 3.481 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000338156107 456670119 /nfs/dbraw/zinc/67/01/19/456670119.db2.gz QNQZCBDUYHXFEI-UHFFFAOYSA-N 1 2 344.418 3.084 20 30 EGEDLO Cc1c(Cl)cnc(NCc2cc[nH+]c(N3CCCCC3)c2)c1C#N ZINC000343512363 456673010 /nfs/dbraw/zinc/67/30/10/456673010.db2.gz OSGJAZBKKNONBK-UHFFFAOYSA-N 1 2 341.846 3.334 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000353496885 456716538 /nfs/dbraw/zinc/71/65/38/456716538.db2.gz WIAVHZDIHRLEJW-IBGZPJMESA-N 1 2 333.476 3.131 20 30 EGEDLO C[C@H](NC(=O)c1coc(C2CCCCC2)n1)[C@H](C)[NH+]1CCOCC1 ZINC000328681027 456734909 /nfs/dbraw/zinc/73/49/09/456734909.db2.gz NZZZOYLVUAZPRM-KBPBESRZSA-N 1 2 335.448 3.136 20 30 EGEDLO C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000283241952 456743722 /nfs/dbraw/zinc/74/37/22/456743722.db2.gz KSTSJGADPCLXOG-INIZCTEOSA-N 1 2 340.475 3.089 20 30 EGEDLO C[C@@H]1CCCCN1C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000328796724 456763095 /nfs/dbraw/zinc/76/30/95/456763095.db2.gz VCCNSAJYRLTJJA-RHSMWYFYSA-N 1 2 346.475 3.259 20 30 EGEDLO C[C@@H]1CCCCN1C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000328796724 456763101 /nfs/dbraw/zinc/76/31/01/456763101.db2.gz VCCNSAJYRLTJJA-RHSMWYFYSA-N 1 2 346.475 3.259 20 30 EGEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1CC(=O)NCC1CCC1)CCCC2 ZINC000328927653 456794092 /nfs/dbraw/zinc/79/40/92/456794092.db2.gz FYWJJCOHZFEKHN-KRWDZBQOSA-N 1 2 330.476 3.192 20 30 EGEDLO N#CC1(C[N@@H+](CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)CC1 ZINC000344114164 456799167 /nfs/dbraw/zinc/79/91/67/456799167.db2.gz MMOCDBUKGHBTLD-CQSZACIVSA-N 1 2 346.780 3.411 20 30 EGEDLO N#CC1(C[N@H+](CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)CC1 ZINC000344114164 456799174 /nfs/dbraw/zinc/79/91/74/456799174.db2.gz MMOCDBUKGHBTLD-CQSZACIVSA-N 1 2 346.780 3.411 20 30 EGEDLO CC(C)[C@@H](C(=O)Nc1ccc2[nH]cnc2c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000329057955 456824343 /nfs/dbraw/zinc/82/43/43/456824343.db2.gz ISEPTHIUWWOZAR-XNJGSVPQSA-N 1 2 330.432 3.285 20 30 EGEDLO CC(C)[C@@H](C(=O)Nc1ccc2nc[nH]c2c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000329057955 456824350 /nfs/dbraw/zinc/82/43/50/456824350.db2.gz ISEPTHIUWWOZAR-XNJGSVPQSA-N 1 2 330.432 3.285 20 30 EGEDLO C=CCc1cc(C[NH2+]Cc2nnc(C(C)C)s2)cc(OC)c1O ZINC000344630331 456842628 /nfs/dbraw/zinc/84/26/28/456842628.db2.gz MVTTUJPRBCTLIL-UHFFFAOYSA-N 1 2 333.457 3.394 20 30 EGEDLO Cc1nc(CC(N)=[NH+]OC[C@@H](OC(C)C)c2ccccc2)cs1 ZINC000292075713 456847872 /nfs/dbraw/zinc/84/78/72/456847872.db2.gz LWYVRBWTXKWJGM-MRXNPFEDSA-N 1 2 333.457 3.449 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc(C)c3)C2)[nH]1 ZINC000329254929 456862411 /nfs/dbraw/zinc/86/24/11/456862411.db2.gz ALZGNTJMVHINAR-DZGCQCFKSA-N 1 2 327.432 3.278 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc(C)c3)C2)[nH]1 ZINC000329254929 456862414 /nfs/dbraw/zinc/86/24/14/456862414.db2.gz ALZGNTJMVHINAR-DZGCQCFKSA-N 1 2 327.432 3.278 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc(C)c3)C2)n1 ZINC000329254929 456862418 /nfs/dbraw/zinc/86/24/18/456862418.db2.gz ALZGNTJMVHINAR-DZGCQCFKSA-N 1 2 327.432 3.278 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc(C)c3)C2)n1 ZINC000329254929 456862423 /nfs/dbraw/zinc/86/24/23/456862423.db2.gz ALZGNTJMVHINAR-DZGCQCFKSA-N 1 2 327.432 3.278 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc(C)c3)C2)n[nH]1 ZINC000329254929 456862426 /nfs/dbraw/zinc/86/24/26/456862426.db2.gz ALZGNTJMVHINAR-DZGCQCFKSA-N 1 2 327.432 3.278 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc(C)c3)C2)n[nH]1 ZINC000329254929 456862434 /nfs/dbraw/zinc/86/24/34/456862434.db2.gz ALZGNTJMVHINAR-DZGCQCFKSA-N 1 2 327.432 3.278 20 30 EGEDLO C=C(C)Cn1c(C)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000338842211 456863173 /nfs/dbraw/zinc/86/31/73/456863173.db2.gz NNNGYJJHVYJSRN-UHFFFAOYSA-N 1 2 345.878 3.138 20 30 EGEDLO CCC(CC)[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000329272065 456865175 /nfs/dbraw/zinc/86/51/75/456865175.db2.gz IJYOQLCYRUYKDX-ZACQAIPSSA-N 1 2 348.491 3.487 20 30 EGEDLO Cc1cc(C2CC[NH+](CC(=O)Nc3nc4c(s3)CCC4)CC2)[nH]n1 ZINC000329327251 456873789 /nfs/dbraw/zinc/87/37/89/456873789.db2.gz XCWBUSQUGOZGAI-UHFFFAOYSA-N 1 2 345.472 3.131 20 30 EGEDLO Cc1cc(C2CC[NH+](CC(=O)Nc3nc4c(s3)CCC4)CC2)n[nH]1 ZINC000329327251 456873792 /nfs/dbraw/zinc/87/37/92/456873792.db2.gz XCWBUSQUGOZGAI-UHFFFAOYSA-N 1 2 345.472 3.131 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(C(N)=O)cs1 ZINC000348879354 456886024 /nfs/dbraw/zinc/88/60/24/456886024.db2.gz SNHLUPSKMVBWJG-UHFFFAOYSA-N 1 2 332.473 3.203 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(C(N)=O)cs1 ZINC000348879354 456886029 /nfs/dbraw/zinc/88/60/29/456886029.db2.gz SNHLUPSKMVBWJG-UHFFFAOYSA-N 1 2 332.473 3.203 20 30 EGEDLO CSc1cc2c(cc1NC(=O)[C@H]1CCn3c[nH+]cc3C1)OCCO2 ZINC000329495867 456900700 /nfs/dbraw/zinc/90/07/00/456900700.db2.gz XDWJXKALSMDNFG-NSHDSACASA-N 1 2 345.424 3.227 20 30 EGEDLO Cc1ccc([C@@H]2CCN(C([O-])=[NH+][C@@H]3CCc4[nH]c[nH+]c4C3)C2)c(C)c1 ZINC000329505451 456901278 /nfs/dbraw/zinc/90/12/78/456901278.db2.gz AJCJMMAPZIFAEP-HZPDHXFCSA-N 1 2 338.455 3.287 20 30 EGEDLO Cc1ccc([C@@H]2CCN(C([O-])=[NH+][C@@H]3CCc4[nH+]c[nH]c4C3)C2)c(C)c1 ZINC000329505451 456901282 /nfs/dbraw/zinc/90/12/82/456901282.db2.gz AJCJMMAPZIFAEP-HZPDHXFCSA-N 1 2 338.455 3.287 20 30 EGEDLO C[C@@]1(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CCOC1 ZINC000329663897 456924298 /nfs/dbraw/zinc/92/42/98/456924298.db2.gz JPNKNDHDWAYPIT-LJQANCHMSA-N 1 2 345.443 3.122 20 30 EGEDLO O=C(C[NH+]1CCC(OCC2CC2)CC1)Nc1nc2c(s1)CCC2 ZINC000329692667 456928364 /nfs/dbraw/zinc/92/83/64/456928364.db2.gz DYMLZVYHAGJABT-UHFFFAOYSA-N 1 2 335.473 3.111 20 30 EGEDLO [O-]C(N[C@@H]1CCc2[nH+]c[nH]c2C1)=[NH+][C@@H]1CCSc2ccc(F)cc21 ZINC000329732441 456933594 /nfs/dbraw/zinc/93/35/94/456933594.db2.gz QDRFRDQFLLIGIH-DGCLKSJQSA-N 1 2 346.431 3.147 20 30 EGEDLO [O-]C(N[C@@H]1CCSc2ccc(F)cc21)=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329732441 456933596 /nfs/dbraw/zinc/93/35/96/456933596.db2.gz QDRFRDQFLLIGIH-DGCLKSJQSA-N 1 2 346.431 3.147 20 30 EGEDLO C[C@@H]1OCC[C@]1(C)NC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000329758556 456936618 /nfs/dbraw/zinc/93/66/18/456936618.db2.gz NSDUBENOHSMXRX-KXBFYZLASA-N 1 2 346.475 3.033 20 30 EGEDLO CCc1csc(NC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)n1 ZINC000329805396 456943670 /nfs/dbraw/zinc/94/36/70/456943670.db2.gz APGMVFZWGNXACO-UHFFFAOYSA-N 1 2 333.461 3.166 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]1CCCc3n[nH]cc31)C2 ZINC000329809916 456944274 /nfs/dbraw/zinc/94/42/74/456944274.db2.gz QIDOPHSYQPYHSS-QWHCGFSZSA-N 1 2 341.459 3.295 20 30 EGEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@@H]1CCCc2sccc21 ZINC000329840509 456949357 /nfs/dbraw/zinc/94/93/57/456949357.db2.gz OFCHOJRARQULGZ-GXTWGEPZSA-N 1 2 330.457 3.403 20 30 EGEDLO [O-]C(=[NH+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1)N1CCn2cc[nH+]c2C1 ZINC000329932013 456963047 /nfs/dbraw/zinc/96/30/47/456963047.db2.gz BLKXGGXGLUENNH-GDBMZVCRSA-N 1 2 328.391 3.088 20 30 EGEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)C[C@H]2C=CCCC2)cn1 ZINC000329951260 456965641 /nfs/dbraw/zinc/96/56/41/456965641.db2.gz MSVXUBDJYUWUOV-XIRDDKMYSA-N 1 2 334.439 3.035 20 30 EGEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)C[C@H]2C=CCCC2)cn1 ZINC000329951260 456965660 /nfs/dbraw/zinc/96/56/60/456965660.db2.gz MSVXUBDJYUWUOV-XIRDDKMYSA-N 1 2 334.439 3.035 20 30 EGEDLO N#C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1F ZINC000349449781 456971082 /nfs/dbraw/zinc/97/10/82/456971082.db2.gz XUTQRWFXRSXTHY-GOSISDBHSA-N 1 2 334.354 3.065 20 30 EGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1oc(CC3CC3)nc1C)CCC2 ZINC000330006330 456972858 /nfs/dbraw/zinc/97/28/58/456972858.db2.gz DZYHELQXBYKEMS-CQSZACIVSA-N 1 2 328.416 3.323 20 30 EGEDLO O=C(NC[C@@H]1CCC2(CCCCC2)O1)N1CCC(n2cc[nH+]c2)CC1 ZINC000330036983 456977864 /nfs/dbraw/zinc/97/78/64/456977864.db2.gz CXCVXDCIXZRGNT-KRWDZBQOSA-N 1 2 346.475 3.316 20 30 EGEDLO [O-]C(=[NH+]C[C@@H]1CCC2(CCCCC2)O1)N1CCC(n2cc[nH+]c2)CC1 ZINC000330036983 456977867 /nfs/dbraw/zinc/97/78/67/456977867.db2.gz CXCVXDCIXZRGNT-KRWDZBQOSA-N 1 2 346.475 3.316 20 30 EGEDLO CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000330119654 456988224 /nfs/dbraw/zinc/98/82/24/456988224.db2.gz IKMSXDMZHYZTQD-JKSUJKDBSA-N 1 2 348.491 3.159 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(c2c(F)cccc2F)CC1 ZINC000362606749 457001876 /nfs/dbraw/zinc/00/18/76/457001876.db2.gz RHIBJQHGBINFAF-CQSZACIVSA-N 1 2 349.425 3.152 20 30 EGEDLO O=C(N[C@H]1CCOC2(CCCCC2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000330218442 457005104 /nfs/dbraw/zinc/00/51/04/457005104.db2.gz JJQKQTUFBUYWDQ-INIZCTEOSA-N 1 2 346.475 3.385 20 30 EGEDLO O=C(N[C@H]1CCOC2(CCCCC2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000330218442 457005112 /nfs/dbraw/zinc/00/51/12/457005112.db2.gz JJQKQTUFBUYWDQ-INIZCTEOSA-N 1 2 346.475 3.385 20 30 EGEDLO Cc1ccc([C@@H]2C[C@H](C)N(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)C2)cc1 ZINC000330229313 457007915 /nfs/dbraw/zinc/00/79/15/457007915.db2.gz QCKPPONNIWWSPV-JQHSSLGASA-N 1 2 338.455 3.298 20 30 EGEDLO Cc1ccc([C@@H]2C[C@H](C)N(C(=O)N[C@H]3CCn4cc[nH+]c4C3)C2)cc1 ZINC000330229313 457007919 /nfs/dbraw/zinc/00/79/19/457007919.db2.gz QCKPPONNIWWSPV-JQHSSLGASA-N 1 2 338.455 3.298 20 30 EGEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000345945764 457008493 /nfs/dbraw/zinc/00/84/93/457008493.db2.gz GEWOBQPFAXAIBX-DLBZAZTESA-N 1 2 340.423 3.453 20 30 EGEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000345945764 457008496 /nfs/dbraw/zinc/00/84/96/457008496.db2.gz GEWOBQPFAXAIBX-DLBZAZTESA-N 1 2 340.423 3.453 20 30 EGEDLO C=C[C@](C)(CCOC)c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000345980862 457009816 /nfs/dbraw/zinc/00/98/16/457009816.db2.gz GQPYUBMQZMDVOJ-LJQANCHMSA-N 1 2 338.411 3.462 20 30 EGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCC1CCSCC1 ZINC000330243331 457009830 /nfs/dbraw/zinc/00/98/30/457009830.db2.gz CPOXIUJFXPNVME-OAHLLOKOSA-N 1 2 336.505 3.487 20 30 EGEDLO CC[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccccc1Cl ZINC000339244018 457013966 /nfs/dbraw/zinc/01/39/66/457013966.db2.gz UFGVOUQMZJHOFJ-UHFFFAOYSA-N 1 2 341.842 3.350 20 30 EGEDLO CC[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccccc1Cl ZINC000339244018 457013971 /nfs/dbraw/zinc/01/39/71/457013971.db2.gz UFGVOUQMZJHOFJ-UHFFFAOYSA-N 1 2 341.842 3.350 20 30 EGEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000330327032 457027706 /nfs/dbraw/zinc/02/77/06/457027706.db2.gz VJNKYPOEHCVFCX-TZMCWYRMSA-N 1 2 331.803 3.059 20 30 EGEDLO CCN1CCN(C(=O)Nc2ccccc2SC)C[C@H]1c1[nH]cc[nH+]1 ZINC000330360539 457035209 /nfs/dbraw/zinc/03/52/09/457035209.db2.gz XFXCGQOEKTYJMQ-AWEZNQCLSA-N 1 2 345.472 3.056 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2coc(-c3ccc(F)c(F)c3)n2)CC1 ZINC000341977697 457037074 /nfs/dbraw/zinc/03/70/74/457037074.db2.gz MQWDRBRVQAMTHH-UHFFFAOYSA-N 1 2 347.365 3.372 20 30 EGEDLO Cc1nc(C(C)(C)C)sc1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000330399664 457038582 /nfs/dbraw/zinc/03/85/82/457038582.db2.gz MVKBHNGJDLBCEC-UHFFFAOYSA-N 1 2 339.505 3.164 20 30 EGEDLO Cc1nc(C(C)(C)C)sc1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000330399664 457038587 /nfs/dbraw/zinc/03/85/87/457038587.db2.gz MVKBHNGJDLBCEC-UHFFFAOYSA-N 1 2 339.505 3.164 20 30 EGEDLO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@@H]2C#N)cc1 ZINC000330656461 457066020 /nfs/dbraw/zinc/06/60/20/457066020.db2.gz LLPHVBOEXQUSLU-RHSMWYFYSA-N 1 2 334.485 3.040 20 30 EGEDLO COCC1(C#N)CC[NH+]([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000342027289 457065947 /nfs/dbraw/zinc/06/59/47/457065947.db2.gz XZXSVPNTTVLDCU-LBPRGKRZSA-N 1 2 332.429 3.111 20 30 EGEDLO CC(C)=CCCNC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000331075020 457127942 /nfs/dbraw/zinc/12/79/42/457127942.db2.gz HFFDHDKNAVMTTN-UHFFFAOYSA-N 1 2 345.491 3.301 20 30 EGEDLO Cc1[nH+]c2ccc(C(=O)NC(C)(C)C(=O)NCC(C)(C)C)cc2n1C ZINC000331079684 457129230 /nfs/dbraw/zinc/12/92/30/457129230.db2.gz XEBNKKBRBDLBNF-UHFFFAOYSA-N 1 2 344.459 3.127 20 30 EGEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]1C#N ZINC000331359655 457172692 /nfs/dbraw/zinc/17/26/92/457172692.db2.gz WUUPLVZIJBVNFO-OBJOEFQTSA-N 1 2 335.835 3.266 20 30 EGEDLO Cc1nc(CC(C)C)sc1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000331361591 457173626 /nfs/dbraw/zinc/17/36/26/457173626.db2.gz ZGNRWZIJVYOPGE-UHFFFAOYSA-N 1 2 339.505 3.065 20 30 EGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000362961428 457176998 /nfs/dbraw/zinc/17/69/98/457176998.db2.gz GTYYJVDRMPRHCM-UHFFFAOYSA-N 1 2 337.398 3.045 20 30 EGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000362961428 457177004 /nfs/dbraw/zinc/17/70/04/457177004.db2.gz GTYYJVDRMPRHCM-UHFFFAOYSA-N 1 2 337.398 3.045 20 30 EGEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(C[C@H](CC#N)c3ccccc3)n2)C1 ZINC000346802343 457177576 /nfs/dbraw/zinc/17/75/76/457177576.db2.gz ZIEUAOXQWAQBFZ-DLBZAZTESA-N 1 2 340.427 3.091 20 30 EGEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(C[C@H](CC#N)c3ccccc3)n2)C1 ZINC000346802343 457177582 /nfs/dbraw/zinc/17/75/82/457177582.db2.gz ZIEUAOXQWAQBFZ-DLBZAZTESA-N 1 2 340.427 3.091 20 30 EGEDLO C=CCOc1ccc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000359988434 457188912 /nfs/dbraw/zinc/18/89/12/457188912.db2.gz WTBOLKXFVYKXHB-UHFFFAOYSA-N 1 2 333.391 3.367 20 30 EGEDLO N#CC[C@H](CC(=O)NCc1ccc(N2CCCC2)[nH+]c1)c1ccccc1 ZINC000347027093 457197605 /nfs/dbraw/zinc/19/76/05/457197605.db2.gz UKJXLHLVJJBZRM-LJQANCHMSA-N 1 2 348.450 3.386 20 30 EGEDLO N#Cc1ccccc1N1CC[NH+](Cc2nc3ccc(F)cc3o2)CC1 ZINC000342278479 457208373 /nfs/dbraw/zinc/20/83/73/457208373.db2.gz WNCRWVJSITWEPK-UHFFFAOYSA-N 1 2 336.370 3.161 20 30 EGEDLO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000331766531 457247761 /nfs/dbraw/zinc/24/77/61/457247761.db2.gz BBEIODGDRFNJLK-SJLPKXTDSA-N 1 2 337.427 3.322 20 30 EGEDLO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000331766531 457247770 /nfs/dbraw/zinc/24/77/70/457247770.db2.gz BBEIODGDRFNJLK-SJLPKXTDSA-N 1 2 337.427 3.322 20 30 EGEDLO N#CCCN(CC1CC1)C(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000354604755 457291484 /nfs/dbraw/zinc/29/14/84/457291484.db2.gz STXRSXZJVDMGJD-UHFFFAOYSA-N 1 2 336.439 3.456 20 30 EGEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000351685687 457312858 /nfs/dbraw/zinc/31/28/58/457312858.db2.gz NPTJUMABARPEDY-QGZVFWFLSA-N 1 2 344.418 3.493 20 30 EGEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cc2c(cc1Br)OCCO2 ZINC000332188523 457323813 /nfs/dbraw/zinc/32/38/13/457323813.db2.gz YNVAKKFKDGKJFM-MFKMUULPSA-N 1 2 337.217 3.002 20 30 EGEDLO COc1ccc2c(c1OC)CC[N@@H+](Cc1ccc(C#N)cc1OC)C2 ZINC000347279092 457326051 /nfs/dbraw/zinc/32/60/51/457326051.db2.gz LPWMIEKGPUASJU-UHFFFAOYSA-N 1 2 338.407 3.142 20 30 EGEDLO COc1ccc2c(c1OC)CC[N@H+](Cc1ccc(C#N)cc1OC)C2 ZINC000347279092 457326055 /nfs/dbraw/zinc/32/60/55/457326055.db2.gz LPWMIEKGPUASJU-UHFFFAOYSA-N 1 2 338.407 3.142 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000347284274 457329529 /nfs/dbraw/zinc/32/95/29/457329529.db2.gz YKEBKIQCQMBKJL-OAHLLOKOSA-N 1 2 330.457 3.331 20 30 EGEDLO C[C@@H](C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1)c1cccc(C#N)c1 ZINC000360780705 457349826 /nfs/dbraw/zinc/34/98/26/457349826.db2.gz LBUWSZLDUJPSIY-CQSZACIVSA-N 1 2 330.391 3.368 20 30 EGEDLO COc1ccc(-c2noc([C@H](C)[NH+]3CCC(F)(C#N)CC3)n2)cc1 ZINC000352446988 457374232 /nfs/dbraw/zinc/37/42/32/457374232.db2.gz AJFRXEYHSRSTRA-LBPRGKRZSA-N 1 2 330.363 3.134 20 30 EGEDLO CC(C)(C#N)c1ccc(NC(=O)NC[C@H]2CCCn3cc[nH+]c32)cc1 ZINC000378218579 457383200 /nfs/dbraw/zinc/38/32/00/457383200.db2.gz HGJGMSMNSNQHLF-CQSZACIVSA-N 1 2 337.427 3.383 20 30 EGEDLO N#CC1(F)CC[NH+]([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000352464258 457387467 /nfs/dbraw/zinc/38/74/67/457387467.db2.gz QYXNCYHSGFPUCK-KRWDZBQOSA-N 1 2 329.419 3.068 20 30 EGEDLO Cc1cc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(C)c[nH+]1 ZINC000378356464 457393171 /nfs/dbraw/zinc/39/31/71/457393171.db2.gz SRZDAHWNKYIINN-IEBWSBKVSA-N 1 2 334.423 3.424 20 30 EGEDLO Cc1cc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c(C)c[nH+]1 ZINC000378356467 457393660 /nfs/dbraw/zinc/39/36/60/457393660.db2.gz SRZDAHWNKYIINN-MJGOQNOKSA-N 1 2 334.423 3.424 20 30 EGEDLO CCC[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1)c1ccccc1 ZINC000352492387 457412257 /nfs/dbraw/zinc/41/22/57/457412257.db2.gz XLYKBKMLJRMAKB-NVXWUHKLSA-N 1 2 331.435 3.360 20 30 EGEDLO N#C[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1c1ccccc1 ZINC000355876962 457425520 /nfs/dbraw/zinc/42/55/20/457425520.db2.gz BXECGJDWYVZGAE-QUCCMNQESA-N 1 2 342.402 3.252 20 30 EGEDLO CC1(C)C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000347574305 457518995 /nfs/dbraw/zinc/51/89/95/457518995.db2.gz BWRSULIMBUBZTD-CVEARBPZSA-N 1 2 325.437 3.229 20 30 EGEDLO CC1(C)C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000347574305 457518998 /nfs/dbraw/zinc/51/89/98/457518998.db2.gz BWRSULIMBUBZTD-CVEARBPZSA-N 1 2 325.437 3.229 20 30 EGEDLO COc1cc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)ccc1C#N ZINC000374214285 457525786 /nfs/dbraw/zinc/52/57/86/457525786.db2.gz ZBRAOHHEFWBMED-HXUWFJFHSA-N 1 2 333.391 3.012 20 30 EGEDLO COc1cc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)ccc1C#N ZINC000374214285 457525789 /nfs/dbraw/zinc/52/57/89/457525789.db2.gz ZBRAOHHEFWBMED-HXUWFJFHSA-N 1 2 333.391 3.012 20 30 EGEDLO C[C@@H](NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc(C#N)cc1 ZINC000352738693 457572757 /nfs/dbraw/zinc/57/27/57/457572757.db2.gz KDXJDICNYSGJFB-CQSZACIVSA-N 1 2 346.394 3.081 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)C1CC1 ZINC000357532703 457583891 /nfs/dbraw/zinc/58/38/91/457583891.db2.gz VBSVKUOVUIXTRR-UHFFFAOYSA-N 1 2 338.333 3.171 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)C1CC1 ZINC000357532703 457583892 /nfs/dbraw/zinc/58/38/92/457583892.db2.gz VBSVKUOVUIXTRR-UHFFFAOYSA-N 1 2 338.333 3.171 20 30 EGEDLO CC[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000374328366 457587731 /nfs/dbraw/zinc/58/77/31/457587731.db2.gz SKLIIRWGNRYWSM-OAHLLOKOSA-N 1 2 329.444 3.059 20 30 EGEDLO N#C[C@H]1CC[C@@H](NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000425547380 457594578 /nfs/dbraw/zinc/59/45/78/457594578.db2.gz VLJSCTXSMNOGNP-QWHCGFSZSA-N 1 2 343.818 3.017 20 30 EGEDLO Cc1c(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cccc1[N+](=O)[O-] ZINC000374350380 457595111 /nfs/dbraw/zinc/59/51/11/457595111.db2.gz KDLMQQYXRPOJHL-LJQANCHMSA-N 1 2 337.379 3.348 20 30 EGEDLO Cc1c(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cccc1[N+](=O)[O-] ZINC000374350380 457595119 /nfs/dbraw/zinc/59/51/19/457595119.db2.gz KDLMQQYXRPOJHL-LJQANCHMSA-N 1 2 337.379 3.348 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CC[C@H](C)C[C@@H]2C(=O)OC)cc1OC ZINC000361151487 457615727 /nfs/dbraw/zinc/61/57/27/457615727.db2.gz FREQDALCLIYBSO-GOEBONIOSA-N 1 2 333.428 3.034 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(=O)OC)cc1OC ZINC000361151487 457615731 /nfs/dbraw/zinc/61/57/31/457615731.db2.gz FREQDALCLIYBSO-GOEBONIOSA-N 1 2 333.428 3.034 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H](C#N)CCc1ccccc1 ZINC000433154752 457765261 /nfs/dbraw/zinc/76/52/61/457765261.db2.gz UXNIULYEXRZTCD-GOSISDBHSA-N 1 2 346.434 3.234 20 30 EGEDLO C[N@H+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)CC(C)(C)C#N ZINC000433285221 457798816 /nfs/dbraw/zinc/79/88/16/457798816.db2.gz HIJBDBTYCSNBHW-UHFFFAOYSA-N 1 2 341.377 3.059 20 30 EGEDLO C[N@@H+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)CC(C)(C)C#N ZINC000433285221 457798822 /nfs/dbraw/zinc/79/88/22/457798822.db2.gz HIJBDBTYCSNBHW-UHFFFAOYSA-N 1 2 341.377 3.059 20 30 EGEDLO CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433319406 457809885 /nfs/dbraw/zinc/80/98/85/457809885.db2.gz IXOYMYZUFPZJIE-INIZCTEOSA-N 1 2 331.460 3.134 20 30 EGEDLO CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433319406 457809887 /nfs/dbraw/zinc/80/98/87/457809887.db2.gz IXOYMYZUFPZJIE-INIZCTEOSA-N 1 2 331.460 3.134 20 30 EGEDLO O=C(Nc1ccccc1C#Cc1ccccc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000366656485 457876891 /nfs/dbraw/zinc/87/68/91/457876891.db2.gz SOJPTHHNBXLJCT-LJQANCHMSA-N 1 2 341.414 3.484 20 30 EGEDLO CC1(C)CCC[N@H+](CCCCN2C(=O)c3ccccc3C2=O)[C@@H]1C#N ZINC000444724361 457955603 /nfs/dbraw/zinc/95/56/03/457955603.db2.gz CWPCOOLJEVRLOH-QGZVFWFLSA-N 1 2 339.439 3.077 20 30 EGEDLO CC1(C)CCC[N@@H+](CCCCN2C(=O)c3ccccc3C2=O)[C@@H]1C#N ZINC000444724361 457955608 /nfs/dbraw/zinc/95/56/08/457955608.db2.gz CWPCOOLJEVRLOH-QGZVFWFLSA-N 1 2 339.439 3.077 20 30 EGEDLO COc1ccc(C#N)cc1C[NH2+][C@H](c1cnn(C)c1)c1ccccc1 ZINC000371708362 458042201 /nfs/dbraw/zinc/04/22/01/458042201.db2.gz GDZNAFLNJQYQSR-FQEVSTJZSA-N 1 2 332.407 3.180 20 30 EGEDLO C=CC[N@@H+](Cc1cnc(-c2cnn(C)c2)nc1)Cc1ccccc1F ZINC000369073342 458073343 /nfs/dbraw/zinc/07/33/43/458073343.db2.gz BYKKUBVCJNNAGF-UHFFFAOYSA-N 1 2 337.402 3.204 20 30 EGEDLO C=CC[N@H+](Cc1cnc(-c2cnn(C)c2)nc1)Cc1ccccc1F ZINC000369073342 458073344 /nfs/dbraw/zinc/07/33/44/458073344.db2.gz BYKKUBVCJNNAGF-UHFFFAOYSA-N 1 2 337.402 3.204 20 30 EGEDLO Cc1nc(C(C)C)oc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000428395317 458134980 /nfs/dbraw/zinc/13/49/80/458134980.db2.gz DRCCYZAIVBBBBN-GOSISDBHSA-N 1 2 338.455 3.489 20 30 EGEDLO C=CCSc1ccccc1C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000362397979 458152451 /nfs/dbraw/zinc/15/24/51/458152451.db2.gz UOEFPHMTRQVDKT-UHFFFAOYSA-N 1 2 348.512 3.148 20 30 EGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCC(C)(C)CCC#N)CC1 ZINC000358702296 458158547 /nfs/dbraw/zinc/15/85/47/458158547.db2.gz DXWPAOWSXSSSGW-OAHLLOKOSA-N 1 2 348.516 3.466 20 30 EGEDLO CCCCOC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000362464510 458197062 /nfs/dbraw/zinc/19/70/62/458197062.db2.gz NWOGCBICJVXFNE-UHFFFAOYSA-N 1 2 349.862 3.431 20 30 EGEDLO C#C[C@H](NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)c1ccc(Cl)cc1F ZINC000376214493 458236359 /nfs/dbraw/zinc/23/63/59/458236359.db2.gz XMEHVYYCQMJESM-OCCSQVGLSA-N 1 2 331.778 3.113 20 30 EGEDLO C#C[C@H](NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21)c1ccc(Cl)cc1F ZINC000376214493 458236367 /nfs/dbraw/zinc/23/63/67/458236367.db2.gz XMEHVYYCQMJESM-OCCSQVGLSA-N 1 2 331.778 3.113 20 30 EGEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000362521406 458241558 /nfs/dbraw/zinc/24/15/58/458241558.db2.gz LQFMGHPECQEUBP-UHFFFAOYSA-N 1 2 332.363 3.312 20 30 EGEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000362521406 458241563 /nfs/dbraw/zinc/24/15/63/458241563.db2.gz LQFMGHPECQEUBP-UHFFFAOYSA-N 1 2 332.363 3.312 20 30 EGEDLO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1C[C@@H](C#N)CCC#N ZINC000428991706 458248628 /nfs/dbraw/zinc/24/86/28/458248628.db2.gz ITRDLXRHAMETIP-ZIAGYGMSSA-N 1 2 334.826 3.433 20 30 EGEDLO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1C[C@@H](C#N)CCC#N ZINC000428991706 458248633 /nfs/dbraw/zinc/24/86/33/458248633.db2.gz ITRDLXRHAMETIP-ZIAGYGMSSA-N 1 2 334.826 3.433 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429130964 458277758 /nfs/dbraw/zinc/27/77/58/458277758.db2.gz WDSTZWVQCONCEK-GJZGRUSLSA-N 1 2 335.407 3.168 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429130964 458277763 /nfs/dbraw/zinc/27/77/63/458277763.db2.gz WDSTZWVQCONCEK-GJZGRUSLSA-N 1 2 335.407 3.168 20 30 EGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000413830808 458308841 /nfs/dbraw/zinc/30/88/41/458308841.db2.gz YJRQASRTQGJXEO-ROUUACIJSA-N 1 2 338.455 3.486 20 30 EGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000413824462 458308907 /nfs/dbraw/zinc/30/89/07/458308907.db2.gz CRSMMNYQXJYDKD-SFHVURJKSA-N 1 2 326.444 3.102 20 30 EGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCC(C)(C)CC#N)n2)C1 ZINC000459317265 458326668 /nfs/dbraw/zinc/32/66/68/458326668.db2.gz BQSQMVMPIQHQOC-CYBMUJFWSA-N 1 2 349.504 3.436 20 30 EGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC(C)(C)CC#N)n2)C1 ZINC000459317265 458326675 /nfs/dbraw/zinc/32/66/75/458326675.db2.gz BQSQMVMPIQHQOC-CYBMUJFWSA-N 1 2 349.504 3.436 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000376523679 458327756 /nfs/dbraw/zinc/32/77/56/458327756.db2.gz CFIGQCWMKSLATB-CJNGLKHVSA-N 1 2 335.245 3.322 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000376523679 458327757 /nfs/dbraw/zinc/32/77/57/458327757.db2.gz CFIGQCWMKSLATB-CJNGLKHVSA-N 1 2 335.245 3.322 20 30 EGEDLO COc1cc(Br)c(C[NH2+]CC2(C#N)CCC2)cc1OC ZINC000418143356 458372866 /nfs/dbraw/zinc/37/28/66/458372866.db2.gz PFDFQWWEMYSGDU-UHFFFAOYSA-N 1 2 339.233 3.250 20 30 EGEDLO CC[C@@H]1C[NH+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@@H](CC)O1 ZINC000420959238 458405610 /nfs/dbraw/zinc/40/56/10/458405610.db2.gz QCSSAXAKJQXAAF-BHIYHBOVSA-N 1 2 343.471 3.211 20 30 EGEDLO Cc1cc(CNC(=O)CCCCOc2cccc(C#N)c2)cc(C)[nH+]1 ZINC000421581824 458417545 /nfs/dbraw/zinc/41/75/45/458417545.db2.gz ZHKAGANIISPSTH-UHFFFAOYSA-N 1 2 337.423 3.436 20 30 EGEDLO N#CCSc1cccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000431035054 458519574 /nfs/dbraw/zinc/51/95/74/458519574.db2.gz QCHWUJYDOVTKPN-UHFFFAOYSA-N 1 2 326.425 3.045 20 30 EGEDLO N#C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1cccc(Cl)c1Cl ZINC000373586477 458540903 /nfs/dbraw/zinc/54/09/03/458540903.db2.gz SMKOIBCSCVBRRJ-GXFFZTMASA-N 1 2 349.221 3.133 20 30 EGEDLO C=CCn1cc(C[NH2+]Cc2c(Cl)cccc2N2CCCC2)nn1 ZINC000424175263 458577247 /nfs/dbraw/zinc/57/72/47/458577247.db2.gz UBPCEBUJEPNOPM-UHFFFAOYSA-N 1 2 331.851 3.008 20 30 EGEDLO CC(C)(NC(=O)/C=C/c1cn(CCC#N)c2ccccc12)c1[nH]cc[nH+]1 ZINC000493849066 458587153 /nfs/dbraw/zinc/58/71/53/458587153.db2.gz HZKNHCDVIXLHRV-CMDGGOBGSA-N 1 2 347.422 3.343 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(CC#N)cc1Cl)C1CC1 ZINC000455725020 458609095 /nfs/dbraw/zinc/60/90/95/458609095.db2.gz CPKHSXNDDIDLNI-OAHLLOKOSA-N 1 2 343.818 3.412 20 30 EGEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000455750124 458611403 /nfs/dbraw/zinc/61/14/03/458611403.db2.gz LFTLIFCMYCAPHP-UHFFFAOYSA-N 1 2 336.439 3.140 20 30 EGEDLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)s1 ZINC000424336662 458618814 /nfs/dbraw/zinc/61/88/14/458618814.db2.gz YDCQFKDBVZBLJY-UWVGGRQHSA-N 1 2 333.388 3.352 20 30 EGEDLO N#CCc1cccc(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000455939134 458622738 /nfs/dbraw/zinc/62/27/38/458622738.db2.gz FHFUKPFOFNSRSZ-UHFFFAOYSA-N 1 2 335.411 3.070 20 30 EGEDLO C=C[C@@H]1CCCCN1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000494174716 458635688 /nfs/dbraw/zinc/63/56/88/458635688.db2.gz BOMGYHFSXNQYGV-IAGOWNOFSA-N 1 2 342.418 3.399 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000424580098 458668255 /nfs/dbraw/zinc/66/82/55/458668255.db2.gz CBXSEKPXAKSZGX-SFHVURJKSA-N 1 2 330.472 3.087 20 30 EGEDLO CC(C)CCN(CCC(C)C)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000510949015 458777210 /nfs/dbraw/zinc/77/72/10/458777210.db2.gz GCVGDEDDWIRLHH-UHFFFAOYSA-N 1 2 325.472 3.235 20 30 EGEDLO CC[C@@H]1C[N@H+](Cc2cn3ccccc3c2C#N)[C@H](CC)CN1C(C)=O ZINC000472349914 458789390 /nfs/dbraw/zinc/78/93/90/458789390.db2.gz OTCIHVVOTJXRTN-QZTJIDSGSA-N 1 2 338.455 3.032 20 30 EGEDLO CC[C@@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)[C@H](CC)CN1C(C)=O ZINC000472349914 458789394 /nfs/dbraw/zinc/78/93/94/458789394.db2.gz OTCIHVVOTJXRTN-QZTJIDSGSA-N 1 2 338.455 3.032 20 30 EGEDLO Cc1cc(C)c(CNC(=O)CSCc2ccc(C#N)cc2)c[nH+]1 ZINC000456868709 458807045 /nfs/dbraw/zinc/80/70/45/458807045.db2.gz XRSHOOJIYZSPSM-UHFFFAOYSA-N 1 2 325.437 3.120 20 30 EGEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ncc(C(C)(C)C)o1 ZINC000515476731 458809590 /nfs/dbraw/zinc/80/95/90/458809590.db2.gz NKNMPTWAHDYPST-UHFFFAOYSA-N 1 2 327.428 3.492 20 30 EGEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ncc(C(C)(C)C)o1 ZINC000515476731 458809593 /nfs/dbraw/zinc/80/95/93/458809593.db2.gz NKNMPTWAHDYPST-UHFFFAOYSA-N 1 2 327.428 3.492 20 30 EGEDLO Cn1c2c(cccc2F)[nH+]c1N1CCC(C#N)(c2ccccn2)CC1 ZINC000548759140 458873093 /nfs/dbraw/zinc/87/30/93/458873093.db2.gz AJIFJXHUGJHTQE-UHFFFAOYSA-N 1 2 335.386 3.169 20 30 EGEDLO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000554565255 458899838 /nfs/dbraw/zinc/89/98/38/458899838.db2.gz ILMMIWDDXSMVHO-KRWDZBQOSA-N 1 2 348.450 3.274 20 30 EGEDLO C=CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)c1nc2c(s1)CCCC2 ZINC000566445408 458936086 /nfs/dbraw/zinc/93/60/86/458936086.db2.gz SOXZENKOWIXDOX-GFCCVEGCSA-N 1 2 330.457 3.143 20 30 EGEDLO C=CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)c1nc2c(s1)CCCC2 ZINC000566445408 458936091 /nfs/dbraw/zinc/93/60/91/458936091.db2.gz SOXZENKOWIXDOX-GFCCVEGCSA-N 1 2 330.457 3.143 20 30 EGEDLO Cc1cc2ccccc2[nH+]c1N1CCN(c2cc(C#N)ccn2)CC1 ZINC000531758413 458973448 /nfs/dbraw/zinc/97/34/48/458973448.db2.gz BCXFTFDOFMJZQH-UHFFFAOYSA-N 1 2 329.407 3.137 20 30 EGEDLO CSc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c(Cl)cc1Cl ZINC000577114425 458982359 /nfs/dbraw/zinc/98/23/59/458982359.db2.gz ITCMRAKOCQNPMC-CQSZACIVSA-N 1 2 346.283 3.289 20 30 EGEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc([C@@H](C)Cc3ccc(C#N)cc3)n2)C1 ZINC000594530404 459080634 /nfs/dbraw/zinc/08/06/34/459080634.db2.gz RLVUIYITINEQMU-WMLDXEAASA-N 1 2 340.427 3.069 20 30 EGEDLO CC(C)[N@H+]1CCO[C@@H](c2noc([C@@H](C)Cc3ccc(C#N)cc3)n2)C1 ZINC000594530404 459080639 /nfs/dbraw/zinc/08/06/39/459080639.db2.gz RLVUIYITINEQMU-WMLDXEAASA-N 1 2 340.427 3.069 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000567364672 459095097 /nfs/dbraw/zinc/09/50/97/459095097.db2.gz QZOOYHDCACPPAA-GFCCVEGCSA-N 1 2 330.457 3.109 20 30 EGEDLO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000577861896 459109335 /nfs/dbraw/zinc/10/93/35/459109335.db2.gz PXTYOHJSYJATPZ-ZDUSSCGKSA-N 1 2 344.821 3.456 20 30 EGEDLO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000577861896 459109342 /nfs/dbraw/zinc/10/93/42/459109342.db2.gz PXTYOHJSYJATPZ-ZDUSSCGKSA-N 1 2 344.821 3.456 20 30 EGEDLO Cc1cc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000496322384 459150409 /nfs/dbraw/zinc/15/04/09/459150409.db2.gz IILCDXKQHMJVJP-CQSZACIVSA-N 1 2 330.432 3.003 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000533025954 459178168 /nfs/dbraw/zinc/17/81/68/459178168.db2.gz LCKUGDHPYPNBRM-QGZVFWFLSA-N 1 2 340.814 3.382 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000533025954 459178172 /nfs/dbraw/zinc/17/81/72/459178172.db2.gz LCKUGDHPYPNBRM-QGZVFWFLSA-N 1 2 340.814 3.382 20 30 EGEDLO Cc1cc2[nH+]cn(C[C@@H](O)CSCC3(C#N)CCC3)c2cc1C ZINC000578337182 459184362 /nfs/dbraw/zinc/18/43/62/459184362.db2.gz QQTSOZLUNNMSLT-OAHLLOKOSA-N 1 2 329.469 3.441 20 30 EGEDLO COc1ccc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1C#N ZINC000533079724 459185376 /nfs/dbraw/zinc/18/53/76/459185376.db2.gz LZTNURSPAQRIBS-VMPITWQZSA-N 1 2 347.462 3.398 20 30 EGEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000578490233 459208843 /nfs/dbraw/zinc/20/88/43/459208843.db2.gz QRQDXCVHTRURSN-WMLDXEAASA-N 1 2 337.427 3.382 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)n1 ZINC000580153908 459256693 /nfs/dbraw/zinc/25/66/93/459256693.db2.gz IQKINHABIXAQPK-MJGOQNOKSA-N 1 2 335.407 3.140 20 30 EGEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)n1 ZINC000580153908 459256699 /nfs/dbraw/zinc/25/66/99/459256699.db2.gz IQKINHABIXAQPK-MJGOQNOKSA-N 1 2 335.407 3.140 20 30 EGEDLO N#CCC[C@@H](C#N)C[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000568627621 459318889 /nfs/dbraw/zinc/31/88/89/459318889.db2.gz FITDNVGVVDOSQZ-IINYFYTJSA-N 1 2 345.752 3.425 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000595613475 459368409 /nfs/dbraw/zinc/36/84/09/459368409.db2.gz DSPAJVNOEVBUOM-LBPRGKRZSA-N 1 2 341.333 3.149 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000595613475 459368414 /nfs/dbraw/zinc/36/84/14/459368414.db2.gz DSPAJVNOEVBUOM-LBPRGKRZSA-N 1 2 341.333 3.149 20 30 EGEDLO Cc1ccc2c(c1)C[N@@H+](Cc1nnc(-c3cccc(C#N)c3)o1)CC2 ZINC000595656551 459385683 /nfs/dbraw/zinc/38/56/83/459385683.db2.gz BPKNVJSJCZDHLL-UHFFFAOYSA-N 1 2 330.391 3.475 20 30 EGEDLO Cc1ccc2c(c1)C[N@H+](Cc1nnc(-c3cccc(C#N)c3)o1)CC2 ZINC000595656551 459385690 /nfs/dbraw/zinc/38/56/90/459385690.db2.gz BPKNVJSJCZDHLL-UHFFFAOYSA-N 1 2 330.391 3.475 20 30 EGEDLO C[C@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000582730183 459418013 /nfs/dbraw/zinc/41/80/13/459418013.db2.gz KFRWMSZQDYZPSV-WBMJQRKESA-N 1 2 341.377 3.159 20 30 EGEDLO N#Cc1ccc(O[C@H]2CCN(c3[nH+]ccc4ccc(F)cc43)C2)nc1 ZINC000488998448 459558492 /nfs/dbraw/zinc/55/84/92/459558492.db2.gz WTTRKNAETPICMV-INIZCTEOSA-N 1 2 334.354 3.298 20 30 EGEDLO CC[C@H](CC#N)[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000583573287 459561542 /nfs/dbraw/zinc/56/15/42/459561542.db2.gz PJEIUCBDIYVLDI-YPMHNXCESA-N 1 2 325.334 3.093 20 30 EGEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1 ZINC000489395405 459563157 /nfs/dbraw/zinc/56/31/57/459563157.db2.gz DYZHHQPOHOWEMQ-KRWDZBQOSA-N 1 2 338.455 3.468 20 30 EGEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1 ZINC000489395405 459563162 /nfs/dbraw/zinc/56/31/62/459563162.db2.gz DYZHHQPOHOWEMQ-KRWDZBQOSA-N 1 2 338.455 3.468 20 30 EGEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1 ZINC000489468120 459565640 /nfs/dbraw/zinc/56/56/40/459565640.db2.gz ACJBJXUEYSOVOM-MRXNPFEDSA-N 1 2 342.418 3.299 20 30 EGEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1 ZINC000489468120 459565650 /nfs/dbraw/zinc/56/56/50/459565650.db2.gz ACJBJXUEYSOVOM-MRXNPFEDSA-N 1 2 342.418 3.299 20 30 EGEDLO C#CCN(CC)C(=O)c1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000490761968 459585799 /nfs/dbraw/zinc/58/57/99/459585799.db2.gz YLZYUPHNIRWOLN-UHFFFAOYSA-N 1 2 347.418 3.317 20 30 EGEDLO N#Cc1nnc2ccccc2c1NCc1ccc[nH+]c1N1CCCC1 ZINC000596357926 459606642 /nfs/dbraw/zinc/60/66/42/459606642.db2.gz UJMUJUMLRVMVQK-UHFFFAOYSA-N 1 2 330.395 3.109 20 30 EGEDLO C=CCOc1ccc(/C=C/C(=O)Nc2c[nH+]ccc2OC)cc1OC ZINC000491417966 459624906 /nfs/dbraw/zinc/62/49/06/459624906.db2.gz OFJQRHARRZGSLV-SOFGYWHQSA-N 1 2 340.379 3.316 20 30 EGEDLO C=CCN(CC(F)(F)F)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000491506168 459632877 /nfs/dbraw/zinc/63/28/77/459632877.db2.gz NEVXZAJNTREALK-YVMONPNESA-N 1 2 335.329 3.462 20 30 EGEDLO C#C[C@H]([NH2+]Cc1ccnn1CCCOC)c1ccc(Cl)cc1F ZINC000491689173 459653789 /nfs/dbraw/zinc/65/37/89/459653789.db2.gz HAVNLDOPHRLDMB-KRWDZBQOSA-N 1 2 335.810 3.176 20 30 EGEDLO C#C[C@H](C)N(C)C(=O)c1ccc(OCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000491710316 459659250 /nfs/dbraw/zinc/65/92/50/459659250.db2.gz RKXVVSZUAOPKDE-INIZCTEOSA-N 1 2 347.418 3.315 20 30 EGEDLO C#C[C@H](NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21)c1ccc(Cl)cc1F ZINC000491820937 459681300 /nfs/dbraw/zinc/68/13/00/459681300.db2.gz ZFPWHKQRLYDNMZ-NZVBXONLSA-N 1 2 346.793 3.355 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)N1CCC(CCC#N)CC1 ZINC000563036009 459701960 /nfs/dbraw/zinc/70/19/60/459701960.db2.gz SDQPJBYAUSRULJ-UHFFFAOYSA-N 1 2 339.443 3.070 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000592945233 459722518 /nfs/dbraw/zinc/72/25/18/459722518.db2.gz GRASMCOVBYOOTP-ZIAGYGMSSA-N 1 2 340.452 3.478 20 30 EGEDLO N#CC1(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CCCCC1 ZINC000596682508 459726870 /nfs/dbraw/zinc/72/68/70/459726870.db2.gz MAJSWXOXKMLQTO-UHFFFAOYSA-N 1 2 331.485 3.256 20 30 EGEDLO COC(=O)c1cccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1C#N ZINC000544106260 459727130 /nfs/dbraw/zinc/72/71/30/459727130.db2.gz BXWYVSUYEWBDTH-UHFFFAOYSA-N 1 2 345.402 3.381 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1C#N ZINC000544106260 459727134 /nfs/dbraw/zinc/72/71/34/459727134.db2.gz BXWYVSUYEWBDTH-UHFFFAOYSA-N 1 2 345.402 3.381 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)CC1(C#N)CCCCC1)c1ccccc1 ZINC000596697129 459731958 /nfs/dbraw/zinc/73/19/58/459731958.db2.gz QBXDVMCGOAIJCS-GOSISDBHSA-N 1 2 336.439 3.490 20 30 EGEDLO C=CCOc1ccc(/C=C\C(=O)NC(C)(C)c2[nH]cc[nH+]2)cc1OC ZINC000493182124 459735872 /nfs/dbraw/zinc/73/58/72/459735872.db2.gz COXWXTSISNSUAK-CLFYSBASSA-N 1 2 341.411 3.048 20 30 EGEDLO COc1cc(/C=C/C(=O)Nc2c(C)cc[nH+]c2C)ccc1OCC#N ZINC000493492447 459747436 /nfs/dbraw/zinc/74/74/36/459747436.db2.gz YONRPALOUIUJGQ-FNORWQNLSA-N 1 2 337.379 3.261 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000563366292 459764351 /nfs/dbraw/zinc/76/43/51/459764351.db2.gz PRQUTTAKEPWOET-JQWIXIFHSA-N 1 2 328.243 3.452 20 30 EGEDLO CCN(CC)c1ccc(CNC(=O)N2CCC(CCC#N)CC2)c[nH+]1 ZINC000565655982 459787539 /nfs/dbraw/zinc/78/75/39/459787539.db2.gz YZOMPRKVGBJCGB-UHFFFAOYSA-N 1 2 343.475 3.153 20 30 EGEDLO COC(=O)c1cc(C(C)(C)[NH2+]Cc2ccccc2C(C)(C)C#N)no1 ZINC000574489438 459824538 /nfs/dbraw/zinc/82/45/38/459824538.db2.gz WXIVOOGLGTUZHB-UHFFFAOYSA-N 1 2 341.411 3.287 20 30 EGEDLO C=C(C)[C@@H](Cc1nc(Cc2cn3cccc(C)c3[nH+]2)no1)OCC ZINC000545685342 459845795 /nfs/dbraw/zinc/84/57/95/459845795.db2.gz QLGCECMIXSAADW-OAHLLOKOSA-N 1 2 326.400 3.140 20 30 EGEDLO N#CC[C@H]1CCCN(Cc2c[nH+]c3ccc(Br)cn23)C1 ZINC000597172524 459862142 /nfs/dbraw/zinc/86/21/42/459862142.db2.gz CAGXAQSDKCUZDH-GFCCVEGCSA-N 1 2 333.233 3.222 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000597172524 459862148 /nfs/dbraw/zinc/86/21/48/459862148.db2.gz CAGXAQSDKCUZDH-GFCCVEGCSA-N 1 2 333.233 3.222 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000597172524 459862151 /nfs/dbraw/zinc/86/21/51/459862151.db2.gz CAGXAQSDKCUZDH-GFCCVEGCSA-N 1 2 333.233 3.222 20 30 EGEDLO N#CC[C@@H]1CCCN(Cc2c[nH+]c3ccc(Br)cn23)C1 ZINC000597172525 459862430 /nfs/dbraw/zinc/86/24/30/459862430.db2.gz CAGXAQSDKCUZDH-LBPRGKRZSA-N 1 2 333.233 3.222 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000597172525 459862435 /nfs/dbraw/zinc/86/24/35/459862435.db2.gz CAGXAQSDKCUZDH-LBPRGKRZSA-N 1 2 333.233 3.222 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000597172525 459862438 /nfs/dbraw/zinc/86/24/38/459862438.db2.gz CAGXAQSDKCUZDH-LBPRGKRZSA-N 1 2 333.233 3.222 20 30 EGEDLO N#CCCCCCC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000588161714 459921758 /nfs/dbraw/zinc/92/17/58/459921758.db2.gz MIFCUOIVAGCOTK-UHFFFAOYSA-N 1 2 333.863 3.458 20 30 EGEDLO N#Cc1cccc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000602437630 459937722 /nfs/dbraw/zinc/93/77/22/459937722.db2.gz ILWGMOLRXFBHRZ-UHFFFAOYSA-N 1 2 346.356 3.294 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCS[C@H](c3ccccc3)C2)cc1 ZINC000609800402 460022216 /nfs/dbraw/zinc/02/22/16/460022216.db2.gz FNAXSUITHHLKHJ-SFHVURJKSA-N 1 2 337.448 3.287 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCS[C@H](c3ccccc3)C2)cc1 ZINC000609800402 460022222 /nfs/dbraw/zinc/02/22/22/460022222.db2.gz FNAXSUITHHLKHJ-SFHVURJKSA-N 1 2 337.448 3.287 20 30 EGEDLO N#C[C@@H](CCc1ccccc1)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597940303 460120740 /nfs/dbraw/zinc/12/07/40/460120740.db2.gz IFFBTNWCLKGHEP-GOSISDBHSA-N 1 2 348.450 3.071 20 30 EGEDLO COCC[N@H+](CCC#N)Cc1ccc(OCc2cccnc2)cc1 ZINC000610391999 460141230 /nfs/dbraw/zinc/14/12/30/460141230.db2.gz VEYUOLOWAHDHIS-UHFFFAOYSA-N 1 2 325.412 3.023 20 30 EGEDLO COCC[N@@H+](CCC#N)Cc1ccc(OCc2cccnc2)cc1 ZINC000610391999 460141240 /nfs/dbraw/zinc/14/12/40/460141240.db2.gz VEYUOLOWAHDHIS-UHFFFAOYSA-N 1 2 325.412 3.023 20 30 EGEDLO Cc1ccc(CCC2CCN(C(=O)C[NH2+][C@@H](C)CC#N)CC2)cc1 ZINC000602867994 460165055 /nfs/dbraw/zinc/16/50/55/460165055.db2.gz GPRKDYKWJCNQMD-KRWDZBQOSA-N 1 2 327.472 3.058 20 30 EGEDLO CSC1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000602919748 460184537 /nfs/dbraw/zinc/18/45/37/460184537.db2.gz HLPIKDWHQVZSJH-UHFFFAOYSA-N 1 2 335.498 3.068 20 30 EGEDLO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1cc(F)ccc1C#N ZINC000610728551 460226479 /nfs/dbraw/zinc/22/64/79/460226479.db2.gz SODQKJPIZPSEJJ-UHFFFAOYSA-N 1 2 337.398 3.222 20 30 EGEDLO C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1cc(F)ccc1C#N ZINC000610728551 460226484 /nfs/dbraw/zinc/22/64/84/460226484.db2.gz SODQKJPIZPSEJJ-UHFFFAOYSA-N 1 2 337.398 3.222 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCCC(F)(F)CC2)c(C#N)c1C ZINC000599552978 460273863 /nfs/dbraw/zinc/27/38/63/460273863.db2.gz OXEPSYVICXCSKG-NSHDSACASA-N 1 2 325.359 3.216 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCCC(F)(F)CC2)c(C#N)c1C ZINC000599552978 460273868 /nfs/dbraw/zinc/27/38/68/460273868.db2.gz OXEPSYVICXCSKG-NSHDSACASA-N 1 2 325.359 3.216 20 30 EGEDLO CCc1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)s1 ZINC000611260235 460320610 /nfs/dbraw/zinc/32/06/10/460320610.db2.gz MOPMXVTZHAVQHK-UHFFFAOYSA-N 1 2 342.468 3.370 20 30 EGEDLO COc1cc(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c(F)cc1C#N ZINC000599819895 460341742 /nfs/dbraw/zinc/34/17/42/460341742.db2.gz UJDZICFMYJJMSY-CQSZACIVSA-N 1 2 343.362 3.188 20 30 EGEDLO C=CCCOCC(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000599843459 460347446 /nfs/dbraw/zinc/34/74/46/460347446.db2.gz CVBSHLXRIFMKDS-UHFFFAOYSA-N 1 2 345.468 3.306 20 30 EGEDLO C=CCCOCC(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000599843459 460347450 /nfs/dbraw/zinc/34/74/50/460347450.db2.gz CVBSHLXRIFMKDS-UHFFFAOYSA-N 1 2 345.468 3.306 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000615699442 460376408 /nfs/dbraw/zinc/37/64/08/460376408.db2.gz IQROWYNVYHNUSG-NSHDSACASA-N 1 2 340.254 3.376 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000615699442 460376412 /nfs/dbraw/zinc/37/64/12/460376412.db2.gz IQROWYNVYHNUSG-NSHDSACASA-N 1 2 340.254 3.376 20 30 EGEDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000611554072 460396952 /nfs/dbraw/zinc/39/69/52/460396952.db2.gz CXOKXRNLVJCZIM-WCQYABFASA-N 1 2 325.334 3.160 20 30 EGEDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000611554072 460396959 /nfs/dbraw/zinc/39/69/59/460396959.db2.gz CXOKXRNLVJCZIM-WCQYABFASA-N 1 2 325.334 3.160 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+]2C[C@@H](C(F)(F)F)CC[C@@H]2C)c(C#N)c1C ZINC000611554251 460397384 /nfs/dbraw/zinc/39/73/84/460397384.db2.gz JJOVNGXNTJQUTA-CABZTGNLSA-N 1 2 343.349 3.369 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@@H](C(F)(F)F)CC[C@@H]2C)c(C#N)c1C ZINC000611554251 460397390 /nfs/dbraw/zinc/39/73/90/460397390.db2.gz JJOVNGXNTJQUTA-CABZTGNLSA-N 1 2 343.349 3.369 20 30 EGEDLO N#Cc1ccc(CNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1Cl ZINC000619826498 460451393 /nfs/dbraw/zinc/45/13/93/460451393.db2.gz ZQORYVSHSZZCAK-HNNXBMFYSA-N 1 2 343.818 3.372 20 30 EGEDLO N#Cc1ccc(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000619827399 460452281 /nfs/dbraw/zinc/45/22/81/460452281.db2.gz ITKCADORGFMMOW-AWEZNQCLSA-N 1 2 343.818 3.024 20 30 EGEDLO C=CCCC[C@H](C)NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000633154505 460976561 /nfs/dbraw/zinc/97/65/61/460976561.db2.gz UMUUTGLTBWUDKZ-HNNXBMFYSA-N 1 2 348.516 3.179 20 30 EGEDLO C=CCC1(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCCC1 ZINC000663557818 461703018 /nfs/dbraw/zinc/70/30/18/461703018.db2.gz ZKWHMKCJBVSXDP-UHFFFAOYSA-N 1 2 328.460 3.370 20 30 EGEDLO C=CCCn1cc(C[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)nn1 ZINC000653569495 461728092 /nfs/dbraw/zinc/72/80/92/461728092.db2.gz UQMVCEBIBQFEEJ-UHFFFAOYSA-N 1 2 340.349 3.385 20 30 EGEDLO C=CCCn1cc(C[N@H+](C)Cc2cccc(OC(F)(F)F)c2)nn1 ZINC000653569495 461728095 /nfs/dbraw/zinc/72/80/95/461728095.db2.gz UQMVCEBIBQFEEJ-UHFFFAOYSA-N 1 2 340.349 3.385 20 30 EGEDLO C=CCCn1cc(C[NH2+]Cc2ccnc(OC3CCCCC3)c2)nn1 ZINC000657339364 462058501 /nfs/dbraw/zinc/05/85/01/462058501.db2.gz RUONTPJORMZMCP-UHFFFAOYSA-N 1 2 341.459 3.251 20 30 EGEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000639724577 462077677 /nfs/dbraw/zinc/07/76/77/462077677.db2.gz ALGRAURPLYWPIE-LSDHHAIUSA-N 1 2 335.407 3.136 20 30 EGEDLO CC[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1nnc2n1CCCCC2 ZINC000661938862 462478567 /nfs/dbraw/zinc/47/85/67/462478567.db2.gz GAZJGLJPKMUSAJ-KRWDZBQOSA-N 1 2 326.419 3.236 20 30 EGEDLO CC[N@H+](Cc1cnn(C)c1)Cc1cc(C#N)ccc1Br ZINC000191780764 528876529 /nfs/dbraw/zinc/87/65/29/528876529.db2.gz BUKWSGFBYCSRIO-UHFFFAOYSA-N 1 2 333.233 3.076 20 30 EGEDLO CC[N@@H+](Cc1cnn(C)c1)Cc1cc(C#N)ccc1Br ZINC000191780764 528876534 /nfs/dbraw/zinc/87/65/34/528876534.db2.gz BUKWSGFBYCSRIO-UHFFFAOYSA-N 1 2 333.233 3.076 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CCCO[C@H]1C)C1CCOCC1 ZINC000329110585 547490667 /nfs/dbraw/zinc/49/06/67/547490667.db2.gz GKJGDRGSHMOZEZ-NUEKZKHPSA-N 1 2 335.448 3.142 20 30 EGEDLO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000333586881 547538607 /nfs/dbraw/zinc/53/86/07/547538607.db2.gz KSQOTVFZDGFTGT-BPNCWPANSA-N 1 2 338.238 3.381 20 30 EGEDLO C#CC[C@H](NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000365573163 547777399 /nfs/dbraw/zinc/77/73/99/547777399.db2.gz GVMMANYGLFFSIS-MSOLQXFVSA-N 1 2 336.439 3.074 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000682361068 550089175 /nfs/dbraw/zinc/08/91/75/550089175.db2.gz IBNDIHPJCQXDAD-BEFAXECRSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000682361068 550089176 /nfs/dbraw/zinc/08/91/76/550089176.db2.gz IBNDIHPJCQXDAD-BEFAXECRSA-N 1 2 333.476 3.433 20 30 EGEDLO O=C(Nc1ccccc1C#Cc1ccccc1)[C@H]1CCc2[nH+]ccn2C1 ZINC000682507392 550108063 /nfs/dbraw/zinc/10/80/63/550108063.db2.gz LNOXLDVAUDIEKD-IBGZPJMESA-N 1 2 341.414 3.484 20 30 EGEDLO N#Cc1ccc(NC(=S)NCCCNc2cccc[nH+]2)cc1Cl ZINC000726475647 574559542 /nfs/dbraw/zinc/55/95/42/574559542.db2.gz SLBXXWRLNRGGTO-UHFFFAOYSA-N 1 2 345.859 3.395 20 30 EGEDLO C#CCCOC(=O)c1cccc(OCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000727041438 574635944 /nfs/dbraw/zinc/63/59/44/574635944.db2.gz QBNYDUAIOILRKZ-UHFFFAOYSA-N 1 2 334.375 3.402 20 30 EGEDLO CCN(CCO)c1ccc(C=[NH+]Nc2cnc3ccccc3n2)c(C)c1 ZINC000727255855 574656016 /nfs/dbraw/zinc/65/60/16/574656016.db2.gz JMBQMEKNUCNYEN-UHFFFAOYSA-N 1 2 349.438 3.203 20 30 EGEDLO CN(C)c1ccc(C=[NH+][N-]c2[nH]c3cc(F)c(F)cc3[nH+]2)cc1F ZINC000727651234 574681231 /nfs/dbraw/zinc/68/12/31/574681231.db2.gz OHSHBQFMALMXJY-UHFFFAOYSA-N 1 2 333.317 3.492 20 30 EGEDLO CN(C)c1ccc(C=[NH+]Nc2nc3cc(F)c(F)cc3[nH]2)cc1F ZINC000727651234 574681232 /nfs/dbraw/zinc/68/12/32/574681232.db2.gz OHSHBQFMALMXJY-UHFFFAOYSA-N 1 2 333.317 3.492 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+]2CCC[C@@H]2CC)c1=S ZINC000727824478 574692089 /nfs/dbraw/zinc/69/20/89/574692089.db2.gz QBVNHQJVOOCGCM-HNNXBMFYSA-N 1 2 329.473 3.494 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+]2CCC[C@@H]2CC)c1=S ZINC000727824478 574692090 /nfs/dbraw/zinc/69/20/90/574692090.db2.gz QBVNHQJVOOCGCM-HNNXBMFYSA-N 1 2 329.473 3.494 20 30 EGEDLO CC(C)COc1ccc(CC/[NH+]=C/c2ccc(O)c(O)c2O)cc1 ZINC000730147789 574925292 /nfs/dbraw/zinc/92/52/92/574925292.db2.gz SRPKAIRGQNVDFJ-RGVLZGJSSA-N 1 2 329.396 3.500 20 30 EGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc2c(c1)CCC(=O)N2 ZINC000730148410 574925934 /nfs/dbraw/zinc/92/59/34/574925934.db2.gz UHPUBRNHHQUDBF-UHFFFAOYSA-N 1 2 330.391 3.378 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2nc(C(C)C)sc2c1 ZINC000730282667 574965985 /nfs/dbraw/zinc/96/59/85/574965985.db2.gz LARUGZYSLSPBKW-HNNXBMFYSA-N 1 2 327.453 3.456 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2nc(C(C)C)sc2c1 ZINC000730282667 574965988 /nfs/dbraw/zinc/96/59/88/574965988.db2.gz LARUGZYSLSPBKW-HNNXBMFYSA-N 1 2 327.453 3.456 20 30 EGEDLO C#CCOc1cccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000730977827 575042089 /nfs/dbraw/zinc/04/20/89/575042089.db2.gz DQSHPQSALVFDNM-UHFFFAOYSA-N 1 2 331.375 3.196 20 30 EGEDLO Cc1cc(N[NH+]=Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ncn1 ZINC000731935145 575222303 /nfs/dbraw/zinc/22/23/03/575222303.db2.gz PHZDBHYGCZHZMC-UHFFFAOYSA-N 1 2 340.387 3.130 20 30 EGEDLO Cc1c(C(=O)/C=C\c2[nH+]ccn2CC(F)(F)F)c(C#N)c2n1CCC2 ZINC000731938706 575223067 /nfs/dbraw/zinc/22/30/67/575223067.db2.gz RPOFKRWBXHWAKM-PLNGDYQASA-N 1 2 348.328 3.269 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2nc(SC)sc2c1 ZINC000732051124 575234250 /nfs/dbraw/zinc/23/42/50/575234250.db2.gz WSFFJUMIWMPGLK-ZDUSSCGKSA-N 1 2 331.466 3.054 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2nc(SC)sc2c1 ZINC000732051124 575234253 /nfs/dbraw/zinc/23/42/53/575234253.db2.gz WSFFJUMIWMPGLK-ZDUSSCGKSA-N 1 2 331.466 3.054 20 30 EGEDLO CCCCCCCCC(=O)N1CCN(Cc2[nH+]ccn2CC)CC1 ZINC000732159276 575240972 /nfs/dbraw/zinc/24/09/72/575240972.db2.gz RIZLMWGXONVBDC-UHFFFAOYSA-N 1 2 334.508 3.298 20 30 EGEDLO C#CC[NH+]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 ZINC000733161760 575312439 /nfs/dbraw/zinc/31/24/39/575312439.db2.gz YRUOIGNVWZYQLE-UHFFFAOYSA-N 1 2 340.373 3.023 20 30 EGEDLO Cc1ccc(SCCNC(=O)C[N@@H+](CCC#N)CC(C)C)cc1 ZINC000755669357 575614351 /nfs/dbraw/zinc/61/43/51/575614351.db2.gz FXFRFPJKHSHYDP-UHFFFAOYSA-N 1 2 333.501 3.075 20 30 EGEDLO Cc1ccc(SCCNC(=O)C[N@H+](CCC#N)CC(C)C)cc1 ZINC000755669357 575614353 /nfs/dbraw/zinc/61/43/53/575614353.db2.gz FXFRFPJKHSHYDP-UHFFFAOYSA-N 1 2 333.501 3.075 20 30 EGEDLO N#Cc1ccc(C2=N/C(=C\c3c[nH+]c4ccc(Cl)cn34)C(=O)O2)cc1 ZINC000737466216 576234089 /nfs/dbraw/zinc/23/40/89/576234089.db2.gz VTGICXGBIQJQNW-CHHVJCJISA-N 1 2 348.749 3.204 20 30 EGEDLO CC(=O)[C@](C#N)(CC[N@@H+](C)Cc1c(C)noc1C)c1ccccc1 ZINC000877956816 1299667021 /nfs/dbraw/zinc/66/70/21/1299667021.db2.gz ZIUCWSWMAIKBEI-LJQANCHMSA-N 1 2 325.412 3.164 20 30 EGEDLO CC(=O)[C@](C#N)(CC[N@H+](C)Cc1c(C)noc1C)c1ccccc1 ZINC000877956816 1299667034 /nfs/dbraw/zinc/66/70/34/1299667034.db2.gz ZIUCWSWMAIKBEI-LJQANCHMSA-N 1 2 325.412 3.164 20 30 EGEDLO Cc1c(Cl)cccc1NC(=O)[C@H](C)O[NH+]=C(N)c1ccccc1 ZINC000015365484 1291150613 /nfs/dbraw/zinc/15/06/13/1291150613.db2.gz WGHWSRCJLDODDL-LBPRGKRZSA-N 1 2 331.803 3.313 20 30 EGEDLO Cc1cc(C)c(NC(=O)CO[NH+]=C(N)c2ccc(F)cc2)c(C)c1 ZINC000029464376 1291330571 /nfs/dbraw/zinc/33/05/71/1291330571.db2.gz HXFJBVIFGBQYEA-UHFFFAOYSA-N 1 2 329.375 3.027 20 30 EGEDLO Cc1cccc(C)c1NC(=O)[C@@H](C)O[NH+]=C(N)Cc1ccccc1 ZINC000047255939 1291569795 /nfs/dbraw/zinc/56/97/95/1291569795.db2.gz XWRAAJWLCTVJTE-OAHLLOKOSA-N 1 2 325.412 3.162 20 30 EGEDLO Cc1ccc(C)c(NC(=O)CO[NH+]=C(N)c2ccc(F)c(C)c2)c1 ZINC000063458090 1292010057 /nfs/dbraw/zinc/01/00/57/1292010057.db2.gz YJYFREWUKIFJGO-UHFFFAOYSA-N 1 2 329.375 3.027 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000092143033 1292854825 /nfs/dbraw/zinc/85/48/25/1292854825.db2.gz USLXDMNQDPZMHI-JXMROGBWSA-N 1 2 349.390 3.160 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000092143033 1292854833 /nfs/dbraw/zinc/85/48/33/1292854833.db2.gz USLXDMNQDPZMHI-JXMROGBWSA-N 1 2 349.390 3.160 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](C)CC2CCCC2)c1=S ZINC000156946517 1294164275 /nfs/dbraw/zinc/16/42/75/1294164275.db2.gz YEGOYTIFGXGOKG-UHFFFAOYSA-N 1 2 344.488 3.137 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](C)CC2CCCC2)c1=S ZINC000156946517 1294164279 /nfs/dbraw/zinc/16/42/79/1294164279.db2.gz YEGOYTIFGXGOKG-UHFFFAOYSA-N 1 2 344.488 3.137 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000160058312 1294256548 /nfs/dbraw/zinc/25/65/48/1294256548.db2.gz KGBAJHMZPBAJHZ-INIZCTEOSA-N 1 2 334.847 3.291 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000160058312 1294256552 /nfs/dbraw/zinc/25/65/52/1294256552.db2.gz KGBAJHMZPBAJHZ-INIZCTEOSA-N 1 2 334.847 3.291 20 30 EGEDLO Cc1sc(NC(=O)CO[NH+]=C(N)Cc2ccccc2)c(C)c1C ZINC000174118231 1294481285 /nfs/dbraw/zinc/48/12/85/1294481285.db2.gz UVSXIRHPGZOFKS-UHFFFAOYSA-N 1 2 331.441 3.143 20 30 EGEDLO N#CCOc1cc(F)ccc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178018854 1294711414 /nfs/dbraw/zinc/71/14/14/1294711414.db2.gz SWNHWPAHLDZNEA-UHFFFAOYSA-N 1 2 336.326 3.166 20 30 EGEDLO Cc1c(C#N)cccc1NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000178571692 1294742966 /nfs/dbraw/zinc/74/29/66/1294742966.db2.gz VGVQGKZLUMHTBS-UHFFFAOYSA-N 1 2 331.379 3.374 20 30 EGEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000357123189 1297472390 /nfs/dbraw/zinc/47/23/90/1297472390.db2.gz KCCUDGACBUIKTO-MSOLQXFVSA-N 1 2 336.439 3.214 20 30 EGEDLO N#CC1(CC(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)CCCCC1 ZINC000874887582 1298148187 /nfs/dbraw/zinc/14/81/87/1298148187.db2.gz ATHCBZKWOYZQAX-QGZVFWFLSA-N 1 2 329.419 3.163 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000749942591 1299306080 /nfs/dbraw/zinc/30/60/80/1299306080.db2.gz BRRWIELYKNEJMG-MOPGFXCFSA-N 1 2 328.456 3.432 20 30 EGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000749942591 1299306090 /nfs/dbraw/zinc/30/60/90/1299306090.db2.gz BRRWIELYKNEJMG-MOPGFXCFSA-N 1 2 328.456 3.432 20 30 EGEDLO COc1ccc(O)c(/C=[NH+]\C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000750949984 1299485730 /nfs/dbraw/zinc/48/57/30/1299485730.db2.gz LVMUHPAKWOLVNN-FAPYRAKZSA-N 1 2 348.443 3.467 20 30 EGEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCOC[C@H]1CC(C)C)c1ccccc1 ZINC000878108575 1299754163 /nfs/dbraw/zinc/75/41/63/1299754163.db2.gz WLEIHWQPONJDLC-WOJBJXKFSA-N 1 2 328.456 3.174 20 30 EGEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCOC[C@H]1CC(C)C)c1ccccc1 ZINC000878108575 1299754168 /nfs/dbraw/zinc/75/41/68/1299754168.db2.gz WLEIHWQPONJDLC-WOJBJXKFSA-N 1 2 328.456 3.174 20 30 EGEDLO CCn1c[nH+]cc1[C@H]1CCCCN1C(=O)c1ccc(C=NOC)cc1 ZINC000752959623 1299833473 /nfs/dbraw/zinc/83/34/73/1299833473.db2.gz NIFAAISTRKVSEQ-QGZVFWFLSA-N 1 2 340.427 3.251 20 30 EGEDLO C[C@@H]1CC(=NN2C(=S)N=NC2c2ccccc2Cl)C[N@@H+]1C1CC1 ZINC000753956595 1300052823 /nfs/dbraw/zinc/05/28/23/1300052823.db2.gz YUUMWNQPYZMQFC-SNVBAGLBSA-N 1 2 347.875 3.348 20 30 EGEDLO C[C@@H]1CC(=NN2C(=S)N=NC2c2ccccc2Cl)C[N@H+]1C1CC1 ZINC000753956595 1300052836 /nfs/dbraw/zinc/05/28/36/1300052836.db2.gz YUUMWNQPYZMQFC-SNVBAGLBSA-N 1 2 347.875 3.348 20 30 EGEDLO FC(F)(F)c1ccc(N=NCc2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC000754710536 1300197606 /nfs/dbraw/zinc/19/76/06/1300197606.db2.gz KTERLIQXOKENTQ-UHFFFAOYSA-N 1 2 332.289 3.127 20 30 EGEDLO C#Cc1ccc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cn1 ZINC000757603181 1300692248 /nfs/dbraw/zinc/69/22/48/1300692248.db2.gz GDRJVPIMICJMLY-UHFFFAOYSA-N 1 2 340.386 3.230 20 30 EGEDLO COc1ccccc1NC(=S)N[NH+]=C(C)c1ccc(N)cc1C ZINC000758093498 1300784809 /nfs/dbraw/zinc/78/48/09/1300784809.db2.gz WMHJEKRIROUFOJ-UHFFFAOYSA-N 1 2 328.441 3.296 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C ZINC000758875563 1300969854 /nfs/dbraw/zinc/96/98/54/1300969854.db2.gz MMPYFBIIPPNMIO-PXNSSMCTSA-N 1 2 339.483 3.410 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C ZINC000758875563 1300969859 /nfs/dbraw/zinc/96/98/59/1300969859.db2.gz MMPYFBIIPPNMIO-PXNSSMCTSA-N 1 2 339.483 3.410 20 30 EGEDLO N#CCOc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000761758729 1301535977 /nfs/dbraw/zinc/53/59/77/1301535977.db2.gz JCZIPUYHNCVNPA-HXUWFJFHSA-N 1 2 333.391 3.034 20 30 EGEDLO N#CCOc1ccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000761758729 1301535983 /nfs/dbraw/zinc/53/59/83/1301535983.db2.gz JCZIPUYHNCVNPA-HXUWFJFHSA-N 1 2 333.391 3.034 20 30 EGEDLO C=C(C)[C@H](CC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)OCC ZINC000882872697 1302140732 /nfs/dbraw/zinc/14/07/32/1302140732.db2.gz KJANZHKMSVVOBV-ROUUACIJSA-N 1 2 327.428 3.112 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](C)[C@H](C)C2(C)CC2)c1=S ZINC000765066840 1302194568 /nfs/dbraw/zinc/19/45/68/1302194568.db2.gz FBLHKPAQKLSAIC-CYBMUJFWSA-N 1 2 344.488 3.135 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](C)[C@H](C)C2(C)CC2)c1=S ZINC000765066840 1302194574 /nfs/dbraw/zinc/19/45/74/1302194574.db2.gz FBLHKPAQKLSAIC-CYBMUJFWSA-N 1 2 344.488 3.135 20 30 EGEDLO C#CCOc1ccc([C@@H](C)[NH2+]Cc2n[nH]cc2Br)cc1 ZINC000766084665 1302384298 /nfs/dbraw/zinc/38/42/98/1302384298.db2.gz NLYLQXUNZOHSLY-LLVKDONJSA-N 1 2 334.217 3.035 20 30 EGEDLO COc1cc(C#N)ccc1CO[NH+]=C(N)Cc1ccccc1Cl ZINC000766741571 1302509393 /nfs/dbraw/zinc/50/93/93/1302509393.db2.gz LMKQGUGEOWDQRO-UHFFFAOYSA-N 1 2 329.787 3.461 20 30 EGEDLO CC(=[NH+]NC(=S)NCCc1cccs1)c1ccccc1N(C)C ZINC000769570588 1303141875 /nfs/dbraw/zinc/14/18/75/1303141875.db2.gz RDOTYFXUWDODNJ-UHFFFAOYSA-N 1 2 346.525 3.245 20 30 EGEDLO Cc1c(C(=O)/C=C\c2cccc3[nH+]ccn32)nnn1-c1ccccc1 ZINC000769608356 1303146597 /nfs/dbraw/zinc/14/65/97/1303146597.db2.gz SHTRVXMGIGIVBO-KHPPLWFESA-N 1 2 329.363 3.120 20 30 EGEDLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000769789115 1303174824 /nfs/dbraw/zinc/17/48/24/1303174824.db2.gz HEKQPIXVIMGSKR-SFHVURJKSA-N 1 2 347.462 3.049 20 30 EGEDLO C[C@H]1CN(C)C(=O)C[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000769789115 1303174828 /nfs/dbraw/zinc/17/48/28/1303174828.db2.gz HEKQPIXVIMGSKR-SFHVURJKSA-N 1 2 347.462 3.049 20 30 EGEDLO C[N@H+](CC(F)F)C1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000771163865 1303369715 /nfs/dbraw/zinc/36/97/15/1303369715.db2.gz PKGIREPKTVGTKO-UHFFFAOYSA-N 1 2 330.382 3.272 20 30 EGEDLO C[N@@H+](CC(F)F)C1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000771163865 1303369722 /nfs/dbraw/zinc/36/97/22/1303369722.db2.gz PKGIREPKTVGTKO-UHFFFAOYSA-N 1 2 330.382 3.272 20 30 EGEDLO C[NH+]1CCN(c2ccc(/C=C\C(=O)c3ccc(O)c(F)c3)cc2)CC1 ZINC000771526812 1303417174 /nfs/dbraw/zinc/41/71/74/1303417174.db2.gz KXRJLNTYVMZFPT-YWEYNIOJSA-N 1 2 340.398 3.179 20 30 EGEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccc4c(c3)CCC(=O)N4)n2c1 ZINC000771861238 1303450652 /nfs/dbraw/zinc/45/06/52/1303450652.db2.gz VUMUDIGJVRMOEH-FNORWQNLSA-N 1 2 331.375 3.424 20 30 EGEDLO Cc1cc(C[NH+]2CCN(c3nc(F)c(F)cc3F)CC2)ccc1C#N ZINC000775117354 1303912651 /nfs/dbraw/zinc/91/26/51/1303912651.db2.gz CSKMGSFRGMNLBO-UHFFFAOYSA-N 1 2 346.356 3.001 20 30 EGEDLO C#CC[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000775401795 1303957445 /nfs/dbraw/zinc/95/74/45/1303957445.db2.gz ZJVNGKVXWMUONR-QGZVFWFLSA-N 1 2 348.362 3.499 20 30 EGEDLO C#CCSCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000888222714 1304074616 /nfs/dbraw/zinc/07/46/16/1304074616.db2.gz PBVNPJHAQSRYJG-UHFFFAOYSA-N 1 2 325.437 3.191 20 30 EGEDLO C#CC[N@H+](Cc1nnc(-c2ccccc2Br)o1)C(C)C ZINC000776719765 1304186984 /nfs/dbraw/zinc/18/69/84/1304186984.db2.gz NDGMOJVCAUHREV-UHFFFAOYSA-N 1 2 334.217 3.343 20 30 EGEDLO C#CC[N@@H+](Cc1nnc(-c2ccccc2Br)o1)C(C)C ZINC000776719765 1304186988 /nfs/dbraw/zinc/18/69/88/1304186988.db2.gz NDGMOJVCAUHREV-UHFFFAOYSA-N 1 2 334.217 3.343 20 30 EGEDLO N#Cc1cc(NC(=O)c2cccc3[nH+]ccn32)c(Cl)c([N+](=O)[O-])c1 ZINC000777047182 1304240100 /nfs/dbraw/zinc/24/01/00/1304240100.db2.gz RDJAYWWYIZONIJ-UHFFFAOYSA-N 1 2 341.714 3.020 20 30 EGEDLO Cn1cc([C@@H]([NH2+]Cc2cc(C#N)ccc2F)c2cccc(F)c2)cn1 ZINC000779121360 1304531249 /nfs/dbraw/zinc/53/12/49/1304531249.db2.gz UVARWVCWAJQCSY-IBGZPJMESA-N 1 2 338.361 3.449 20 30 EGEDLO CC(=NNC1=[NH+]C[C@@H](C)N1)c1sc(-c2ccc(C)cc2)nc1C ZINC000779795344 1304606217 /nfs/dbraw/zinc/60/62/17/1304606217.db2.gz SVXAVPAOGUALQE-LLVKDONJSA-N 1 2 327.457 3.088 20 30 EGEDLO COc1cccc(N=NC2CCN(c3ccc([NH+](C)C)cc3)CC2)n1 ZINC000779816206 1304609048 /nfs/dbraw/zinc/60/90/48/1304609048.db2.gz CZDMHHJPVYOJJS-UHFFFAOYSA-N 1 2 339.443 3.225 20 30 EGEDLO COC(=O)c1cccc(NN=C(C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000779825973 1304609997 /nfs/dbraw/zinc/60/99/97/1304609997.db2.gz FCETZMJLWVRBNS-UHFFFAOYSA-N 1 2 334.379 3.495 20 30 EGEDLO Fc1cccc(Cl)c1C[NH+]1CCC(=NN[C@@H]2CCCOC2)CC1 ZINC000780260809 1304667121 /nfs/dbraw/zinc/66/71/21/1304667121.db2.gz IRXCOKWMLARDIE-CQSZACIVSA-N 1 2 339.842 3.200 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000783375514 1305085010 /nfs/dbraw/zinc/08/50/10/1305085010.db2.gz YXZJRVWDABSDBA-SFHVURJKSA-N 1 2 347.414 3.172 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000783375514 1305085014 /nfs/dbraw/zinc/08/50/14/1305085014.db2.gz YXZJRVWDABSDBA-SFHVURJKSA-N 1 2 347.414 3.172 20 30 EGEDLO Cc1ccnc(NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1C#N ZINC000784161273 1305199891 /nfs/dbraw/zinc/19/98/91/1305199891.db2.gz GYDGYFKJSIGOJO-UHFFFAOYSA-N 1 2 335.455 3.409 20 30 EGEDLO Cc1cc(C#N)nc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)c1 ZINC000893099419 1305706238 /nfs/dbraw/zinc/70/62/38/1305706238.db2.gz YMKFNBGNWRBHMF-UHFFFAOYSA-N 1 2 343.434 3.264 20 30 EGEDLO CCn1cc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)c(C)n1 ZINC000894057739 1306195086 /nfs/dbraw/zinc/19/50/86/1306195086.db2.gz JJTLBBKSUPYYHJ-UHFFFAOYSA-N 1 2 343.862 3.059 20 30 EGEDLO COC(=O)c1ccccc1N[NH+]=Cc1ccc(N(C)C(C)C)nc1 ZINC000790170478 1306270890 /nfs/dbraw/zinc/27/08/90/1306270890.db2.gz NAHKVOWXTIXWPM-UHFFFAOYSA-N 1 2 326.400 3.159 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CC[C@@H](c3n[nH]c(C)n3)C2)cc1Cl ZINC000895008390 1309155486 /nfs/dbraw/zinc/15/54/86/1309155486.db2.gz WRICHEQCYJCOJO-CQSZACIVSA-N 1 2 332.835 3.321 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CC[C@@H](c3n[nH]c(C)n3)C2)cc1Cl ZINC000895008390 1309155491 /nfs/dbraw/zinc/15/54/91/1309155491.db2.gz WRICHEQCYJCOJO-CQSZACIVSA-N 1 2 332.835 3.321 20 30 EGEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccc(C(=O)N(C)C)cc3)n2c1 ZINC000792926475 1309262218 /nfs/dbraw/zinc/26/22/18/1309262218.db2.gz QQSBAESFHWZWOX-MDZDMXLPSA-N 1 2 333.391 3.241 20 30 EGEDLO C[NH+](C)Cc1cnc(/C=C2/CCOc3ccc(F)cc3C2=O)s1 ZINC000794701517 1309577616 /nfs/dbraw/zinc/57/76/16/1309577616.db2.gz VZOBZEHWIVIHEE-XFFZJAGNSA-N 1 2 332.400 3.393 20 30 EGEDLO Cc1cc(C)c2c(c1)C(=O)/C(=C/c1ncc(C[NH+](C)C)s1)CO2 ZINC000794701997 1309578284 /nfs/dbraw/zinc/57/82/84/1309578284.db2.gz YIHJYAOKUSSHFO-NTUHNPAUSA-N 1 2 328.437 3.480 20 30 EGEDLO COC(=O)c1csc(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)c1 ZINC000794725831 1309582386 /nfs/dbraw/zinc/58/23/86/1309582386.db2.gz PKIUYWQSXRJGLF-WAYWQWQTSA-N 1 2 326.377 3.387 20 30 EGEDLO CCc1cccc2c1OC/C(=C\c1ncc(C[NH+](C)C)s1)C2=O ZINC000794728486 1309585111 /nfs/dbraw/zinc/58/51/11/1309585111.db2.gz RGYIDUHCKHDPQA-MDWZMJQESA-N 1 2 328.437 3.426 20 30 EGEDLO COc1cc(F)cc(N[NH+]=Cc2c(C)nn(-c3ccccc3)c2N)c1 ZINC000794918796 1309621794 /nfs/dbraw/zinc/62/17/94/1309621794.db2.gz LTGOIODCMUFYTN-UHFFFAOYSA-N 1 2 339.374 3.357 20 30 EGEDLO N#Cc1cnc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)s1 ZINC000896481649 1309876388 /nfs/dbraw/zinc/87/63/88/1309876388.db2.gz PNAKCOIQWJSASN-HNNXBMFYSA-N 1 2 326.425 3.008 20 30 EGEDLO N#Cc1cnc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)s1 ZINC000896481649 1309876394 /nfs/dbraw/zinc/87/63/94/1309876394.db2.gz PNAKCOIQWJSASN-HNNXBMFYSA-N 1 2 326.425 3.008 20 30 EGEDLO CCn1c[nH+]c2c1CCN(c1c(C#N)cnc3c(F)cc(F)cc31)C2 ZINC000896658425 1309962368 /nfs/dbraw/zinc/96/23/68/1309962368.db2.gz BQFZZWSNRYCEBL-UHFFFAOYSA-N 1 2 339.349 3.164 20 30 EGEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(F)(F)CC2)cc1 ZINC000796543637 1310027187 /nfs/dbraw/zinc/02/71/87/1310027187.db2.gz ZTNJCGHSJSUDSW-OAHLLOKOSA-N 1 2 335.398 3.361 20 30 EGEDLO Cc1ccc(C)c(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 ZINC000798274270 1310332582 /nfs/dbraw/zinc/33/25/82/1310332582.db2.gz BQXXVBQCSRNFSR-IRXDYDNUSA-N 1 2 329.444 3.152 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](c3ccccn3)C2)c(C#N)c1C ZINC000799194505 1310509450 /nfs/dbraw/zinc/50/94/50/1310509450.db2.gz SGVZCRWBXNYJFN-CQSZACIVSA-N 1 2 340.452 3.060 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](c3ccccn3)C2)c(C#N)c1C ZINC000799194505 1310509453 /nfs/dbraw/zinc/50/94/53/1310509453.db2.gz SGVZCRWBXNYJFN-CQSZACIVSA-N 1 2 340.452 3.060 20 30 EGEDLO N#Cc1cc(Cl)cc(C[NH+]2CCN(c3ccc(O)cc3)CC2)c1 ZINC000929152597 1328525846 /nfs/dbraw/zinc/52/58/46/1328525846.db2.gz AHJYKTKASLKNFP-UHFFFAOYSA-N 1 2 327.815 3.239 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ncc(Cl)cc2Cl)C1 ZINC000957038359 1317142072 /nfs/dbraw/zinc/14/20/72/1317142072.db2.gz JNOCWYMOJREYGC-UHFFFAOYSA-N 1 2 328.243 3.111 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnn(C(CC)CC)c2C)C1 ZINC000957117946 1317197645 /nfs/dbraw/zinc/19/76/45/1317197645.db2.gz NTYWUBGRGOVTFT-UHFFFAOYSA-N 1 2 332.492 3.275 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCCCCC2)cc1C ZINC000804346655 1317221243 /nfs/dbraw/zinc/22/12/43/1317221243.db2.gz VXQAEYQJZVVFIT-FQEVSTJZSA-N 1 2 339.483 3.412 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCCCCC2)cc1C ZINC000804346655 1317221251 /nfs/dbraw/zinc/22/12/51/1317221251.db2.gz VXQAEYQJZVVFIT-FQEVSTJZSA-N 1 2 339.483 3.412 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2coc(-c3ccccc3)n2)C1 ZINC000957287983 1317262039 /nfs/dbraw/zinc/26/20/39/1317262039.db2.gz GAOXTEQAXZLWTG-UHFFFAOYSA-N 1 2 325.412 3.064 20 30 EGEDLO CCOC(=O)c1[nH]c2c(c1C)C(=O)/C(=C/c1c[nH+]cn1C(C)C)CC2 ZINC000901437468 1317425704 /nfs/dbraw/zinc/42/57/04/1317425704.db2.gz AJJNHVGBKJJBTE-MDWZMJQESA-N 1 2 341.411 3.490 20 30 EGEDLO Cc1[nH]c(/C=C/C(=O)c2ccc(N3CCOCC3)cc2Cl)[nH+]c1C ZINC000901486100 1317434761 /nfs/dbraw/zinc/43/47/61/1317434761.db2.gz XBIQQMGVLNSOKG-AATRIKPKSA-N 1 2 345.830 3.413 20 30 EGEDLO C=C(CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000806550925 1317500029 /nfs/dbraw/zinc/50/00/29/1317500029.db2.gz OMZSDQADZITOOW-UHFFFAOYSA-N 1 2 332.407 3.385 20 30 EGEDLO Cc1cc([N+](=O)[O-])ccc1N[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000807990772 1317608060 /nfs/dbraw/zinc/60/80/60/1317608060.db2.gz FIXITKNWRXQEEU-UHFFFAOYSA-N 1 2 325.372 3.344 20 30 EGEDLO N#Cc1ccc(N2CCN(c3cc[nH+]c4c(Cl)cccc34)CC2)cn1 ZINC000808062427 1317618250 /nfs/dbraw/zinc/61/82/50/1317618250.db2.gz KRKDJFQMLXDQAU-UHFFFAOYSA-N 1 2 349.825 3.481 20 30 EGEDLO C#CCOc1ccc(C[N@H+](C)Cc2nc(-c3cccs3)no2)cc1 ZINC000809687699 1317863277 /nfs/dbraw/zinc/86/32/77/1317863277.db2.gz NZYUGRDCWTYWGS-UHFFFAOYSA-N 1 2 339.420 3.442 20 30 EGEDLO C#CCOc1ccc(C[N@@H+](C)Cc2nc(-c3cccs3)no2)cc1 ZINC000809687699 1317863283 /nfs/dbraw/zinc/86/32/83/1317863283.db2.gz NZYUGRDCWTYWGS-UHFFFAOYSA-N 1 2 339.420 3.442 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1CCCO1 ZINC000809980099 1317929927 /nfs/dbraw/zinc/92/99/27/1317929927.db2.gz HZHMUHGPMVXXSR-CHWSQXEVSA-N 1 2 329.183 3.172 20 30 EGEDLO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(F)C(F)(F)F ZINC000810618789 1318034335 /nfs/dbraw/zinc/03/43/35/1318034335.db2.gz UNYAQOHYKXTQNF-VIFPVBQESA-N 1 2 340.283 3.010 20 30 EGEDLO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@H](F)C(F)(F)F ZINC000810618789 1318034343 /nfs/dbraw/zinc/03/43/43/1318034343.db2.gz UNYAQOHYKXTQNF-VIFPVBQESA-N 1 2 340.283 3.010 20 30 EGEDLO CCc1ccc([C@@H]2CC[N@H+](Cn3nc(CC#N)n(C)c3=S)C2)cc1 ZINC000814225607 1318704748 /nfs/dbraw/zinc/70/47/48/1318704748.db2.gz UJCHSCFIWNSGEU-MRXNPFEDSA-N 1 2 341.484 3.027 20 30 EGEDLO CCc1ccc([C@@H]2CC[N@@H+](Cn3nc(CC#N)n(C)c3=S)C2)cc1 ZINC000814225607 1318704754 /nfs/dbraw/zinc/70/47/54/1318704754.db2.gz UJCHSCFIWNSGEU-MRXNPFEDSA-N 1 2 341.484 3.027 20 30 EGEDLO CC(=[NH+]Nc1cc([N+](=O)[O-])ccc1C)c1cc([N+](=O)[O-])ccc1N ZINC000814823302 1318825195 /nfs/dbraw/zinc/82/51/95/1318825195.db2.gz WHFONPCDJFPCLL-UHFFFAOYSA-N 1 2 329.316 3.230 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)[C@@H](C)c1nc(CC)no1 ZINC000960789867 1318893292 /nfs/dbraw/zinc/89/32/92/1318893292.db2.gz ZESUWFHYVLAKGV-LSDHHAIUSA-N 1 2 348.491 3.218 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)[C@@H](C)c1nc(CC)no1 ZINC000960789867 1318893303 /nfs/dbraw/zinc/89/33/03/1318893303.db2.gz ZESUWFHYVLAKGV-LSDHHAIUSA-N 1 2 348.491 3.218 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)[C@@H](C)c1nc(C2CC2)no1 ZINC000960790830 1318895664 /nfs/dbraw/zinc/89/56/64/1318895664.db2.gz NUERHAGDYSLGGD-DZGCQCFKSA-N 1 2 346.475 3.143 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)[C@@H](C)c1nc(C2CC2)no1 ZINC000960790830 1318895675 /nfs/dbraw/zinc/89/56/75/1318895675.db2.gz NUERHAGDYSLGGD-DZGCQCFKSA-N 1 2 346.475 3.143 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2ncc(CC)o2)C1 ZINC000960845856 1318982675 /nfs/dbraw/zinc/98/26/75/1318982675.db2.gz HGMQMALISZAAAU-HNNXBMFYSA-N 1 2 331.460 3.016 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2ncc(CC)o2)C1 ZINC000960845856 1318982679 /nfs/dbraw/zinc/98/26/79/1318982679.db2.gz HGMQMALISZAAAU-HNNXBMFYSA-N 1 2 331.460 3.016 20 30 EGEDLO N#CC1(C(=O)OCc2cccc(C[NH+]3CCOCC3)c2)CCCCC1 ZINC000817179470 1319289300 /nfs/dbraw/zinc/28/93/00/1319289300.db2.gz LTIPCDQLNOLLCX-UHFFFAOYSA-N 1 2 342.439 3.036 20 30 EGEDLO Brc1ccccc1N[NH+]=Cc1cnc(N2CCCC2)nc1 ZINC000914773256 1319374968 /nfs/dbraw/zinc/37/49/68/1319374968.db2.gz ADWRJJNCNRKQMI-UHFFFAOYSA-N 1 2 346.232 3.285 20 30 EGEDLO Cc1ccc(Cn2cc(C=NNC(N)=[NH2+])c(-c3ccc(C)cc3)n2)cc1 ZINC000915050947 1319414635 /nfs/dbraw/zinc/41/46/35/1319414635.db2.gz PRBXDIJWPPJQDV-UHFFFAOYSA-N 1 2 346.438 3.032 20 30 EGEDLO NC(=[NH2+])NN=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000915050605 1319415162 /nfs/dbraw/zinc/41/51/62/1319415162.db2.gz CBJZLZSEKOYXKX-UHFFFAOYSA-N 1 2 338.802 3.010 20 30 EGEDLO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ncc(C(=O)OC)s2)cc1 ZINC000818357559 1319535773 /nfs/dbraw/zinc/53/57/73/1319535773.db2.gz AEWUEELHCRPRER-QWHCGFSZSA-N 1 2 344.436 3.354 20 30 EGEDLO CN(N=Cc1ccc(-n2cc[nH+]c2)cc1)C(=S)NCc1ccccc1 ZINC000917026799 1319742105 /nfs/dbraw/zinc/74/21/05/1319742105.db2.gz SUPGYVPSMFSYBN-UHFFFAOYSA-N 1 2 349.463 3.213 20 30 EGEDLO C#Cc1cccc(CNC(=O)N(C)CCCc2[nH+]ccn2CCC)c1 ZINC000836655464 1320517821 /nfs/dbraw/zinc/51/78/21/1320517821.db2.gz BVYOVCXBZFMRMW-UHFFFAOYSA-N 1 2 338.455 3.049 20 30 EGEDLO Cc1nc(C[NH+]2CCC(C(=O)O[C@H]3CCC[C@@H](C#N)C3)CC2)cs1 ZINC000839052250 1320858940 /nfs/dbraw/zinc/85/89/40/1320858940.db2.gz MWVILLGKKGEKMG-PBHICJAKSA-N 1 2 347.484 3.289 20 30 EGEDLO CC(=NNC1=[NH+]CCN1)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000841659848 1321293130 /nfs/dbraw/zinc/29/31/30/1321293130.db2.gz SRYVKDLMMXJTAV-UHFFFAOYSA-N 1 2 333.848 3.045 20 30 EGEDLO CCOC(=O)Nc1ccc2c(C[NH2+][C@H](CC)CC#N)cc(=O)oc2c1 ZINC000846994242 1321831840 /nfs/dbraw/zinc/83/18/40/1321831840.db2.gz PIIDDUMGPGXUMU-CYBMUJFWSA-N 1 2 343.383 3.143 20 30 EGEDLO C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C[C@@H]1CC1(C)C ZINC000852771140 1323240109 /nfs/dbraw/zinc/24/01/09/1323240109.db2.gz CGDAWHKDXZTJKI-QWHCGFSZSA-N 1 2 327.453 3.450 20 30 EGEDLO C[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C[C@@H]1CC1(C)C ZINC000852771140 1323240118 /nfs/dbraw/zinc/24/01/18/1323240118.db2.gz CGDAWHKDXZTJKI-QWHCGFSZSA-N 1 2 327.453 3.450 20 30 EGEDLO C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C[C@H]1CC1(C)C ZINC000852771139 1323240808 /nfs/dbraw/zinc/24/08/08/1323240808.db2.gz CGDAWHKDXZTJKI-OLZOCXBDSA-N 1 2 327.453 3.450 20 30 EGEDLO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C[C@H]1CC1(C)C ZINC000852771139 1323240817 /nfs/dbraw/zinc/24/08/17/1323240817.db2.gz CGDAWHKDXZTJKI-OLZOCXBDSA-N 1 2 327.453 3.450 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccn(CC)n2)CC1 ZINC001024634136 1323560429 /nfs/dbraw/zinc/56/04/29/1323560429.db2.gz RGADTWQTKSBOQG-LJQANCHMSA-N 1 2 344.503 3.120 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccn(CC)n2)CC1 ZINC001024634136 1323560433 /nfs/dbraw/zinc/56/04/33/1323560433.db2.gz RGADTWQTKSBOQG-LJQANCHMSA-N 1 2 344.503 3.120 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(F)cc1F ZINC001024786523 1323690475 /nfs/dbraw/zinc/69/04/75/1323690475.db2.gz LJYZDZSBXULATL-ZDUSSCGKSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(F)cc1F ZINC001024786523 1323690482 /nfs/dbraw/zinc/69/04/82/1323690482.db2.gz LJYZDZSBXULATL-ZDUSSCGKSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(COC)cc1 ZINC001024794522 1323698908 /nfs/dbraw/zinc/69/89/08/1323698908.db2.gz MIKWEDJQNUJDJF-KRWDZBQOSA-N 1 2 336.863 3.170 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(COC)cc1 ZINC001024794522 1323698910 /nfs/dbraw/zinc/69/89/10/1323698910.db2.gz MIKWEDJQNUJDJF-KRWDZBQOSA-N 1 2 336.863 3.170 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1Cc1csnn1 ZINC001025259048 1324068440 /nfs/dbraw/zinc/06/84/40/1324068440.db2.gz NBMWJTORQVTENO-CVEARBPZSA-N 1 2 348.516 3.096 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCCC[C@H]1[C@H]1CCC[N@H+]1Cc1csnn1 ZINC001025259048 1324068449 /nfs/dbraw/zinc/06/84/49/1324068449.db2.gz NBMWJTORQVTENO-CVEARBPZSA-N 1 2 348.516 3.096 20 30 EGEDLO CO[C@@H](C=[NH+]n1cnnc1SCc1ccc(Cl)cc1)C1CC1 ZINC000853280059 1325074844 /nfs/dbraw/zinc/07/48/44/1325074844.db2.gz CERAVSNHBXTKJL-AWEZNQCLSA-N 1 2 336.848 3.483 20 30 EGEDLO OC1CCN(c2ccc(C=[NH+]Nc3cc(F)cc(F)c3)cc2)CC1 ZINC000853291430 1325076432 /nfs/dbraw/zinc/07/64/32/1325076432.db2.gz CQALUPBMCMARLD-UHFFFAOYSA-N 1 2 331.366 3.372 20 30 EGEDLO OC1CCN(c2ccc(C=[NH+]Nc3cccc(F)c3F)cc2)CC1 ZINC000853311964 1325079150 /nfs/dbraw/zinc/07/91/50/1325079150.db2.gz FKMJHAIYEASAMB-UHFFFAOYSA-N 1 2 331.366 3.372 20 30 EGEDLO C=CC[C@H]1CCC[N@@H+](Cn2nc(-c3cccnc3)n(C)c2=S)C1 ZINC000853536056 1325118069 /nfs/dbraw/zinc/11/80/69/1325118069.db2.gz KFMJPHYBCKMCEL-AWEZNQCLSA-N 1 2 329.473 3.259 20 30 EGEDLO C=CC[C@H]1CCC[N@H+](Cn2nc(-c3cccnc3)n(C)c2=S)C1 ZINC000853536056 1325118071 /nfs/dbraw/zinc/11/80/71/1325118071.db2.gz KFMJPHYBCKMCEL-AWEZNQCLSA-N 1 2 329.473 3.259 20 30 EGEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@H](N(C)c3ccccc3)C2)c1=S ZINC000853585264 1325129760 /nfs/dbraw/zinc/12/97/60/1325129760.db2.gz PNHXDCORSQZECE-KRWDZBQOSA-N 1 2 343.500 3.077 20 30 EGEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@H](N(C)c3ccccc3)C2)c1=S ZINC000853585264 1325129772 /nfs/dbraw/zinc/12/97/72/1325129772.db2.gz PNHXDCORSQZECE-KRWDZBQOSA-N 1 2 343.500 3.077 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)/C=C(/C)C2CC2)C1 ZINC001027313511 1325464912 /nfs/dbraw/zinc/46/49/12/1325464912.db2.gz GMRVQXNPAXSXQB-LMRWQKIVSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)/C=C(/C)C2CC2)C1 ZINC001027313511 1325464918 /nfs/dbraw/zinc/46/49/18/1325464918.db2.gz GMRVQXNPAXSXQB-LMRWQKIVSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC001027531666 1327817133 /nfs/dbraw/zinc/81/71/33/1327817133.db2.gz OVUUAQYSFLUBDF-GOEBONIOSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC001027531666 1327817147 /nfs/dbraw/zinc/81/71/47/1327817147.db2.gz OVUUAQYSFLUBDF-GOEBONIOSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)[C@H](C)c3nc(C)no3)C2)CC1 ZINC001027555312 1327862320 /nfs/dbraw/zinc/86/23/20/1327862320.db2.gz JCISPGCCGBYQCI-RHSMWYFYSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@H+](C)[C@H](C)c3nc(C)no3)C2)CC1 ZINC001027555312 1327862330 /nfs/dbraw/zinc/86/23/30/1327862330.db2.gz JCISPGCCGBYQCI-RHSMWYFYSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)[C@H](C)c3nnc(C)o3)C2)CC1 ZINC001027559463 1327871324 /nfs/dbraw/zinc/87/13/24/1327871324.db2.gz YTSSLVFRSGJWIG-RHSMWYFYSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@H+](C)[C@H](C)c3nnc(C)o3)C2)CC1 ZINC001027559463 1327871330 /nfs/dbraw/zinc/87/13/30/1327871330.db2.gz YTSSLVFRSGJWIG-RHSMWYFYSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC000966637738 1328364376 /nfs/dbraw/zinc/36/43/76/1328364376.db2.gz YJFSYGVGVPGXRT-KBXCAEBGSA-N 1 2 345.874 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC000966637738 1328364383 /nfs/dbraw/zinc/36/43/83/1328364383.db2.gz YJFSYGVGVPGXRT-KBXCAEBGSA-N 1 2 345.874 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(-c2ccccc2)on1 ZINC001028012537 1328474529 /nfs/dbraw/zinc/47/45/29/1328474529.db2.gz DMAJKWVYCSGSHR-HNNXBMFYSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(-c2ccccc2)on1 ZINC001028012537 1328474532 /nfs/dbraw/zinc/47/45/32/1328474532.db2.gz DMAJKWVYCSGSHR-HNNXBMFYSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2cc(C)ccc2n1 ZINC001028015877 1328478628 /nfs/dbraw/zinc/47/86/28/1328478628.db2.gz MJEFEBOJIOKONT-MRXNPFEDSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2cc(C)ccc2n1 ZINC001028015877 1328478631 /nfs/dbraw/zinc/47/86/31/1328478631.db2.gz MJEFEBOJIOKONT-MRXNPFEDSA-N 1 2 343.858 3.490 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCn3nc(C4CC4)cc3C2)c(OC(F)F)c1 ZINC000932607335 1329826884 /nfs/dbraw/zinc/82/68/84/1329826884.db2.gz TWXFJVSFLSSVFQ-UHFFFAOYSA-N 1 2 344.365 3.249 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCn3nc(C4CC4)cc3C2)c(OC(F)F)c1 ZINC000932607335 1329826885 /nfs/dbraw/zinc/82/68/85/1329826885.db2.gz TWXFJVSFLSSVFQ-UHFFFAOYSA-N 1 2 344.365 3.249 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[NH2+][C@@H](c3ccncc3)C3CC3)o2)c1 ZINC000934692426 1330000429 /nfs/dbraw/zinc/00/04/29/1330000429.db2.gz OMUSRTJUVDFQEB-GOSISDBHSA-N 1 2 331.379 3.244 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2=CCCC2)C(C)(C)C1 ZINC000940672410 1331152012 /nfs/dbraw/zinc/15/20/12/1331152012.db2.gz JGDVVVHSNFMXED-AWEZNQCLSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2=CCCC2)C(C)(C)C1 ZINC000940672410 1331152015 /nfs/dbraw/zinc/15/20/15/1331152015.db2.gz JGDVVVHSNFMXED-AWEZNQCLSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3coc(C4CC4)n3)C[C@@H]2C)C1 ZINC000942608711 1332003884 /nfs/dbraw/zinc/00/38/84/1332003884.db2.gz YZIDJUYCSDDMPG-WMLDXEAASA-N 1 2 343.471 3.235 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3coc(C4CC4)n3)C[C@@H]2C)C1 ZINC000942608711 1332003887 /nfs/dbraw/zinc/00/38/87/1332003887.db2.gz YZIDJUYCSDDMPG-WMLDXEAASA-N 1 2 343.471 3.235 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC(CCNc2cc[nH+]c(C)n2)CC1 ZINC001063332887 1351819606 /nfs/dbraw/zinc/81/96/06/1351819606.db2.gz RCKSGVXIYMRTBJ-UHFFFAOYSA-N 1 2 330.476 3.428 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)C2(C)CCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947613079 1333192519 /nfs/dbraw/zinc/19/25/19/1333192519.db2.gz ZYYCIVLNDZFHFV-KDOFPFPSSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)C2(C)CCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947613079 1333192524 /nfs/dbraw/zinc/19/25/24/1333192524.db2.gz ZYYCIVLNDZFHFV-KDOFPFPSSA-N 1 2 343.446 3.357 20 30 EGEDLO Cc1cccc(C)c1CC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000948571557 1333581923 /nfs/dbraw/zinc/58/19/23/1333581923.db2.gz XDGNWLLCAPMOOM-UHFFFAOYSA-N 1 2 347.462 3.062 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cccc(C)c1F ZINC000948916039 1333733398 /nfs/dbraw/zinc/73/33/98/1333733398.db2.gz LFUSKKWLJMUPQJ-IBGZPJMESA-N 1 2 336.410 3.097 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cccc(C)c1F ZINC000948916039 1333733402 /nfs/dbraw/zinc/73/34/02/1333733402.db2.gz LFUSKKWLJMUPQJ-IBGZPJMESA-N 1 2 336.410 3.097 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000948940170 1333741892 /nfs/dbraw/zinc/74/18/92/1333741892.db2.gz FKPOHGIHRHTJCC-HUUJSLGLSA-N 1 2 336.479 3.162 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000948940170 1333741898 /nfs/dbraw/zinc/74/18/98/1333741898.db2.gz FKPOHGIHRHTJCC-HUUJSLGLSA-N 1 2 336.479 3.162 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)c(C)s1 ZINC000948982625 1333757862 /nfs/dbraw/zinc/75/78/62/1333757862.db2.gz NVXASDJSPJBEAD-SFHVURJKSA-N 1 2 338.476 3.327 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)c(C)s1 ZINC000948982625 1333757866 /nfs/dbraw/zinc/75/78/66/1333757866.db2.gz NVXASDJSPJBEAD-SFHVURJKSA-N 1 2 338.476 3.327 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccccc1OC ZINC000948982333 1333757963 /nfs/dbraw/zinc/75/79/63/1333757963.db2.gz KFMRKBVFBGHABE-HXUWFJFHSA-N 1 2 348.446 3.048 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccccc1OC ZINC000948982333 1333757965 /nfs/dbraw/zinc/75/79/65/1333757965.db2.gz KFMRKBVFBGHABE-HXUWFJFHSA-N 1 2 348.446 3.048 20 30 EGEDLO C#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(CF)cc3)CC2)cc1 ZINC000949593692 1333880646 /nfs/dbraw/zinc/88/06/46/1333880646.db2.gz GBLGJKGENJCAQY-UHFFFAOYSA-N 1 2 336.410 3.095 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](C[C@@H](O)c2ccc(CC)cc2)CC1 ZINC000950051719 1334003796 /nfs/dbraw/zinc/00/37/96/1334003796.db2.gz RYWQPTFBAXKTHE-TZIWHRDSSA-N 1 2 344.499 3.029 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1C[NH+](Cc2ccc(C)cc2)C1 ZINC000953831115 1334860098 /nfs/dbraw/zinc/86/00/98/1334860098.db2.gz SFUVLFQYALSJPP-PMACEKPBSA-N 1 2 342.483 3.009 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)C2CCOCC2)C1 ZINC000967289060 1335690830 /nfs/dbraw/zinc/69/08/30/1335690830.db2.gz RATOAAJNSVDGEX-BBRMVZONSA-N 1 2 342.911 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)C2CCOCC2)C1 ZINC000967289060 1335690832 /nfs/dbraw/zinc/69/08/32/1335690832.db2.gz RATOAAJNSVDGEX-BBRMVZONSA-N 1 2 342.911 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2c(F)cccc2F)C1 ZINC000968034122 1335846589 /nfs/dbraw/zinc/84/65/89/1335846589.db2.gz HDHYHRRATOHNKS-BZNIZROVSA-N 1 2 342.817 3.086 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2c(F)cccc2F)C1 ZINC000968034122 1335846592 /nfs/dbraw/zinc/84/65/92/1335846592.db2.gz HDHYHRRATOHNKS-BZNIZROVSA-N 1 2 342.817 3.086 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc3ccccc3n2C)C1 ZINC000968077596 1335854261 /nfs/dbraw/zinc/85/42/61/1335854261.db2.gz IOEPVVQEHQRULX-CZUORRHYSA-N 1 2 345.874 3.371 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc3ccccc3n2C)C1 ZINC000968077596 1335854263 /nfs/dbraw/zinc/85/42/63/1335854263.db2.gz IOEPVVQEHQRULX-CZUORRHYSA-N 1 2 345.874 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2cccc(Cl)c2)C1 ZINC000968159303 1335863740 /nfs/dbraw/zinc/86/37/40/1335863740.db2.gz ZQTJFROONUGJRQ-WBMJQRKESA-N 1 2 341.282 3.462 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2cccc(Cl)c2)C1 ZINC000968159303 1335863742 /nfs/dbraw/zinc/86/37/42/1335863742.db2.gz ZQTJFROONUGJRQ-WBMJQRKESA-N 1 2 341.282 3.462 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(OC)c2C)C1 ZINC000968366553 1335905140 /nfs/dbraw/zinc/90/51/40/1335905140.db2.gz ZKPOWKVIXAOZPY-LRDDRELGSA-N 1 2 336.863 3.196 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(OC)c2C)C1 ZINC000968366553 1335905143 /nfs/dbraw/zinc/90/51/43/1335905143.db2.gz ZKPOWKVIXAOZPY-LRDDRELGSA-N 1 2 336.863 3.196 20 30 EGEDLO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3cc(C)ccc3s2)C1 ZINC000968489921 1335939536 /nfs/dbraw/zinc/93/95/36/1335939536.db2.gz WUUAVEZAHDLYJJ-ZBFHGGJFSA-N 1 2 326.465 3.283 20 30 EGEDLO C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3cc(C)ccc3s2)C1 ZINC000968489921 1335939538 /nfs/dbraw/zinc/93/95/38/1335939538.db2.gz WUUAVEZAHDLYJJ-ZBFHGGJFSA-N 1 2 326.465 3.283 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3ccncc3c2)C1 ZINC000968505530 1335945731 /nfs/dbraw/zinc/94/57/31/1335945731.db2.gz PGMHPPHMLYYNPC-UGSOOPFHSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3ccncc3c2)C1 ZINC000968505530 1335945732 /nfs/dbraw/zinc/94/57/32/1335945732.db2.gz PGMHPPHMLYYNPC-UGSOOPFHSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2c[nH]c3ccccc23)C1 ZINC000968568604 1335962337 /nfs/dbraw/zinc/96/23/37/1335962337.db2.gz BJAXVJHHODSZCY-SCLBCKFNSA-N 1 2 345.874 3.290 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2c[nH]c3ccccc23)C1 ZINC000968568604 1335962341 /nfs/dbraw/zinc/96/23/41/1335962341.db2.gz BJAXVJHHODSZCY-SCLBCKFNSA-N 1 2 345.874 3.290 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCCC[C@H]1CNC(=O)C1CC=CC1 ZINC000968791278 1336051987 /nfs/dbraw/zinc/05/19/87/1336051987.db2.gz MOXJRERSWUCIGV-HNNXBMFYSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@H+]1CCCCC[C@H]1CNC(=O)C1CC=CC1 ZINC000968791278 1336051988 /nfs/dbraw/zinc/05/19/88/1336051988.db2.gz MOXJRERSWUCIGV-HNNXBMFYSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(Cl)ccc2F)C1 ZINC000970095233 1336279488 /nfs/dbraw/zinc/27/94/88/1336279488.db2.gz HROUAJCBDFWCRK-JTQLQIEISA-N 1 2 331.218 3.282 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cccc(C)c2Cl)C1 ZINC000970610763 1336327657 /nfs/dbraw/zinc/32/76/57/1336327657.db2.gz UCVYUVBRWUQAKF-LBPRGKRZSA-N 1 2 327.255 3.451 20 30 EGEDLO C=C1CCC(C(=O)N(C)C2CC[NH+]([C@@H](C)c3nc(C)no3)CC2)CC1 ZINC001005934389 1336425608 /nfs/dbraw/zinc/42/56/08/1336425608.db2.gz GIZPTYDNHVAGHJ-AWEZNQCLSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC23CCC3)CC1 ZINC001006061741 1336445445 /nfs/dbraw/zinc/44/54/45/1336445445.db2.gz VLZOMVLSHLCUJF-AWEZNQCLSA-N 1 2 341.293 3.008 20 30 EGEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)c1ccoc1 ZINC001006735066 1336567258 /nfs/dbraw/zinc/56/72/58/1336567258.db2.gz GCPJARVTKQDBEG-SFHVURJKSA-N 1 2 342.826 3.179 20 30 EGEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)c1ccoc1 ZINC001006735066 1336567261 /nfs/dbraw/zinc/56/72/61/1336567261.db2.gz GCPJARVTKQDBEG-SFHVURJKSA-N 1 2 342.826 3.179 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)C3(F)CCCC3)C2)cc1F ZINC001007710152 1336689707 /nfs/dbraw/zinc/68/97/07/1336689707.db2.gz FACUQXJHLJXIBW-INIZCTEOSA-N 1 2 347.409 3.060 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)C3(F)CCCC3)C2)cc1F ZINC001007710152 1336689710 /nfs/dbraw/zinc/68/97/10/1336689710.db2.gz FACUQXJHLJXIBW-INIZCTEOSA-N 1 2 347.409 3.060 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2c(C)cc3ccccc32)C1 ZINC001007844053 1336715088 /nfs/dbraw/zinc/71/50/88/1336715088.db2.gz DXGARMLLWXFAII-KRWDZBQOSA-N 1 2 345.874 3.283 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2c(C)cc3ccccc32)C1 ZINC001007844053 1336715090 /nfs/dbraw/zinc/71/50/90/1336715090.db2.gz DXGARMLLWXFAII-KRWDZBQOSA-N 1 2 345.874 3.283 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2COc3cc(C)c(C)cc32)C1 ZINC001008057142 1336760099 /nfs/dbraw/zinc/76/00/99/1336760099.db2.gz LCROCEDUGKAISP-NVXWUHKLSA-N 1 2 348.874 3.113 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2COc3cc(C)c(C)cc32)C1 ZINC001008057142 1336760101 /nfs/dbraw/zinc/76/01/01/1336760101.db2.gz LCROCEDUGKAISP-NVXWUHKLSA-N 1 2 348.874 3.113 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2nccc3ccccc32)C1 ZINC001008338013 1336826017 /nfs/dbraw/zinc/82/60/17/1336826017.db2.gz BIAPBYGGEZBKMF-OAHLLOKOSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2nccc3ccccc32)C1 ZINC001008338013 1336826019 /nfs/dbraw/zinc/82/60/19/1336826019.db2.gz BIAPBYGGEZBKMF-OAHLLOKOSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2c(C)[nH]c3ccccc32)C1 ZINC001008387741 1336839498 /nfs/dbraw/zinc/83/94/98/1336839498.db2.gz WGPYJAFPJSQYEC-HNNXBMFYSA-N 1 2 345.874 3.352 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2c(C)[nH]c3ccccc32)C1 ZINC001008387741 1336839501 /nfs/dbraw/zinc/83/95/01/1336839501.db2.gz WGPYJAFPJSQYEC-HNNXBMFYSA-N 1 2 345.874 3.352 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](Cc3cncc(F)c3)C2)CC1 ZINC001008408675 1336844125 /nfs/dbraw/zinc/84/41/25/1336844125.db2.gz CKWOLRWDWTUZGZ-GOSISDBHSA-N 1 2 331.435 3.048 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](Cc3cncc(F)c3)C2)CC1 ZINC001008408675 1336844128 /nfs/dbraw/zinc/84/41/28/1336844128.db2.gz CKWOLRWDWTUZGZ-GOSISDBHSA-N 1 2 331.435 3.048 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cn3)C2)CC1 ZINC001008413307 1336845619 /nfs/dbraw/zinc/84/56/19/1336845619.db2.gz VDLHXWNNWJGVCZ-SFHVURJKSA-N 1 2 331.435 3.048 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cn3)C2)CC1 ZINC001008413307 1336845621 /nfs/dbraw/zinc/84/56/21/1336845621.db2.gz VDLHXWNNWJGVCZ-SFHVURJKSA-N 1 2 331.435 3.048 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(Cl)nc3)C2)C1 ZINC001008437868 1336853407 /nfs/dbraw/zinc/85/34/07/1336853407.db2.gz QVILPKSGINNJKF-OAHLLOKOSA-N 1 2 333.863 3.172 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(Cl)nc3)C2)C1 ZINC001008437868 1336853410 /nfs/dbraw/zinc/85/34/10/1336853410.db2.gz QVILPKSGINNJKF-OAHLLOKOSA-N 1 2 333.863 3.172 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1)c1ccco1 ZINC001008512067 1336873672 /nfs/dbraw/zinc/87/36/72/1336873672.db2.gz OWHAHPTUQDMBKO-CRAIPNDOSA-N 1 2 337.423 3.036 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1)c1ccco1 ZINC001008512067 1336873675 /nfs/dbraw/zinc/87/36/75/1336873675.db2.gz OWHAHPTUQDMBKO-CRAIPNDOSA-N 1 2 337.423 3.036 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(Cl)s2)C1 ZINC001008798382 1336927253 /nfs/dbraw/zinc/92/72/53/1336927253.db2.gz GKVZLVWCLGAKOS-LLVKDONJSA-N 1 2 333.284 3.277 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2ccc(Cl)s2)C1 ZINC001008798382 1336927256 /nfs/dbraw/zinc/92/72/56/1336927256.db2.gz GKVZLVWCLGAKOS-LLVKDONJSA-N 1 2 333.284 3.277 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)cs1 ZINC001008873235 1336935394 /nfs/dbraw/zinc/93/53/94/1336935394.db2.gz ANQDAHUEUAXWEJ-AWEZNQCLSA-N 1 2 345.493 3.384 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)cs1 ZINC001008873235 1336935396 /nfs/dbraw/zinc/93/53/96/1336935396.db2.gz ANQDAHUEUAXWEJ-AWEZNQCLSA-N 1 2 345.493 3.384 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC001009652698 1337053565 /nfs/dbraw/zinc/05/35/65/1337053565.db2.gz XBQUIQQEIFSJMZ-CQSZACIVSA-N 1 2 331.847 3.423 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC001009652698 1337053568 /nfs/dbraw/zinc/05/35/68/1337053568.db2.gz XBQUIQQEIFSJMZ-CQSZACIVSA-N 1 2 331.847 3.423 20 30 EGEDLO Cc1ccsc1C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001009940525 1337116291 /nfs/dbraw/zinc/11/62/91/1337116291.db2.gz GJTQXQPZKLYASB-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1ccsc1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001009940525 1337116292 /nfs/dbraw/zinc/11/62/92/1337116292.db2.gz GJTQXQPZKLYASB-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)s1 ZINC001009954828 1337121510 /nfs/dbraw/zinc/12/15/10/1337121510.db2.gz XUBCVMQQUDMFRF-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)s1 ZINC001009954828 1337121515 /nfs/dbraw/zinc/12/15/15/1337121515.db2.gz XUBCVMQQUDMFRF-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc3nccc(C)c3c2)C1 ZINC001014564079 1337826111 /nfs/dbraw/zinc/82/61/11/1337826111.db2.gz AGAHXBDRPZWCRH-OAHLLOKOSA-N 1 2 329.831 3.100 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3nccc(C)c3c2)C1 ZINC001014564079 1337826112 /nfs/dbraw/zinc/82/61/12/1337826112.db2.gz AGAHXBDRPZWCRH-OAHLLOKOSA-N 1 2 329.831 3.100 20 30 EGEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)C1(F)CCCC1 ZINC001015028810 1337994764 /nfs/dbraw/zinc/99/47/64/1337994764.db2.gz UCURQDITWFPPLT-KRWDZBQOSA-N 1 2 348.849 3.164 20 30 EGEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)C1(F)CCCC1 ZINC001015028810 1337994765 /nfs/dbraw/zinc/99/47/65/1337994765.db2.gz UCURQDITWFPPLT-KRWDZBQOSA-N 1 2 348.849 3.164 20 30 EGEDLO CC1(C)CC[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)C1 ZINC001015669520 1338246114 /nfs/dbraw/zinc/24/61/14/1338246114.db2.gz CGFRNYAFNIHTGD-DOTOQJQBSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)C1 ZINC001015669520 1338246121 /nfs/dbraw/zinc/24/61/21/1338246121.db2.gz CGFRNYAFNIHTGD-DOTOQJQBSA-N 1 2 343.446 3.214 20 30 EGEDLO CC(C)c1ccc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)nc1 ZINC001015704497 1338269099 /nfs/dbraw/zinc/26/90/99/1338269099.db2.gz CLLOQOLGVJYEQA-HXUWFJFHSA-N 1 2 347.462 3.061 20 30 EGEDLO CC(C)c1ccc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)nc1 ZINC001015704497 1338269102 /nfs/dbraw/zinc/26/91/02/1338269102.db2.gz CLLOQOLGVJYEQA-HXUWFJFHSA-N 1 2 347.462 3.061 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(C)C)nc2CC)C1 ZINC001015718974 1338272217 /nfs/dbraw/zinc/27/22/17/1338272217.db2.gz DOVNQVSYXPXSNS-AWEZNQCLSA-N 1 2 335.879 3.324 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(C)C)nc2CC)C1 ZINC001015718974 1338272224 /nfs/dbraw/zinc/27/22/24/1338272224.db2.gz DOVNQVSYXPXSNS-AWEZNQCLSA-N 1 2 335.879 3.324 20 30 EGEDLO Cc1cccc([C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001015773516 1338304210 /nfs/dbraw/zinc/30/42/10/1338304210.db2.gz IZMKDYPJVBDTDY-UWJYYQICSA-N 1 2 347.462 3.361 20 30 EGEDLO Cc1cccc([C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001015773516 1338304214 /nfs/dbraw/zinc/30/42/14/1338304214.db2.gz IZMKDYPJVBDTDY-UWJYYQICSA-N 1 2 347.462 3.361 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@]2(c3ccccc3)CC2(C)C)C1 ZINC001015894862 1338350314 /nfs/dbraw/zinc/35/03/14/1338350314.db2.gz XVZYAXJXWACIFG-VQIMIIECSA-N 1 2 332.875 3.297 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@]2(c3ccccc3)CC2(C)C)C1 ZINC001015894862 1338350315 /nfs/dbraw/zinc/35/03/15/1338350315.db2.gz XVZYAXJXWACIFG-VQIMIIECSA-N 1 2 332.875 3.297 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@]2(c3ccccc3)CC2(C)C)C1 ZINC001015894860 1338350905 /nfs/dbraw/zinc/35/09/05/1338350905.db2.gz XVZYAXJXWACIFG-LPHOPBHVSA-N 1 2 332.875 3.297 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(c3ccccc3)CC2(C)C)C1 ZINC001015894860 1338350909 /nfs/dbraw/zinc/35/09/09/1338350909.db2.gz XVZYAXJXWACIFG-LPHOPBHVSA-N 1 2 332.875 3.297 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc3nc(C)sc3c2)C1 ZINC001015941781 1338366925 /nfs/dbraw/zinc/36/69/25/1338366925.db2.gz DPSDBADCYXKJPD-CYBMUJFWSA-N 1 2 335.860 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3nc(C)sc3c2)C1 ZINC001015941781 1338366927 /nfs/dbraw/zinc/36/69/27/1338366927.db2.gz DPSDBADCYXKJPD-CYBMUJFWSA-N 1 2 335.860 3.161 20 30 EGEDLO CCc1oc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1C ZINC001015985443 1338393568 /nfs/dbraw/zinc/39/35/68/1338393568.db2.gz WBRCKBYIASOMNG-KRWDZBQOSA-N 1 2 337.423 3.026 20 30 EGEDLO CCc1oc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cc1C ZINC001015985443 1338393573 /nfs/dbraw/zinc/39/35/73/1338393573.db2.gz WBRCKBYIASOMNG-KRWDZBQOSA-N 1 2 337.423 3.026 20 30 EGEDLO CC[C@H]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC001016043097 1338425773 /nfs/dbraw/zinc/42/57/73/1338425773.db2.gz YECBPZUIODOIBP-MBOZVWFJSA-N 1 2 339.483 3.465 20 30 EGEDLO CC[C@H]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC001016043097 1338425775 /nfs/dbraw/zinc/42/57/75/1338425775.db2.gz YECBPZUIODOIBP-MBOZVWFJSA-N 1 2 339.483 3.465 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2occ3c2CCCC3)C1 ZINC001016102095 1338463670 /nfs/dbraw/zinc/46/36/70/1338463670.db2.gz TXGRCLUPDJPQDG-SFHVURJKSA-N 1 2 349.434 3.034 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2occ3c2CCCC3)C1 ZINC001016102095 1338463674 /nfs/dbraw/zinc/46/36/74/1338463674.db2.gz TXGRCLUPDJPQDG-SFHVURJKSA-N 1 2 349.434 3.034 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2coc3cc(C)ccc23)C1 ZINC001016182355 1338495037 /nfs/dbraw/zinc/49/50/37/1338495037.db2.gz PEXPRXRDFHUUNR-OAHLLOKOSA-N 1 2 332.831 3.227 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2coc3cc(C)ccc23)C1 ZINC001016182355 1338495038 /nfs/dbraw/zinc/49/50/38/1338495038.db2.gz PEXPRXRDFHUUNR-OAHLLOKOSA-N 1 2 332.831 3.227 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c(C)c1 ZINC001016187524 1338497393 /nfs/dbraw/zinc/49/73/93/1338497393.db2.gz NECRHALHKIERTA-HXUWFJFHSA-N 1 2 347.462 3.488 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c(C)c1 ZINC001016187524 1338497394 /nfs/dbraw/zinc/49/73/94/1338497394.db2.gz NECRHALHKIERTA-HXUWFJFHSA-N 1 2 347.462 3.488 20 30 EGEDLO CC1=CC[C@](C)(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC001016308508 1338541518 /nfs/dbraw/zinc/54/15/18/1338541518.db2.gz CZYQENPSYSZMMW-CTNGQTDRSA-N 1 2 337.467 3.385 20 30 EGEDLO CC1=CC[C@](C)(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC001016308508 1338541520 /nfs/dbraw/zinc/54/15/20/1338541520.db2.gz CZYQENPSYSZMMW-CTNGQTDRSA-N 1 2 337.467 3.385 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H](C[N@@H+](C)[C@@H](C)c3csnn3)C2)C1 ZINC001017207923 1338954024 /nfs/dbraw/zinc/95/40/24/1338954024.db2.gz PSNDBPXDOAVXAC-LSDHHAIUSA-N 1 2 348.516 3.126 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H](C[N@H+](C)[C@@H](C)c3csnn3)C2)C1 ZINC001017207923 1338954029 /nfs/dbraw/zinc/95/40/29/1338954029.db2.gz PSNDBPXDOAVXAC-LSDHHAIUSA-N 1 2 348.516 3.126 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C23CCC(CC2)C3)c1 ZINC001017663453 1339386718 /nfs/dbraw/zinc/38/67/18/1339386718.db2.gz GUFZEZDJDDLNKM-MXMNOXSKSA-N 1 2 349.478 3.314 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C23CCC(CC2)C3)c1 ZINC001017663453 1339386723 /nfs/dbraw/zinc/38/67/23/1339386723.db2.gz GUFZEZDJDDLNKM-MXMNOXSKSA-N 1 2 349.478 3.314 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001028080130 1340412754 /nfs/dbraw/zinc/41/27/54/1340412754.db2.gz UASYYXRZQLQJJI-ZWKOTPCHSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001028080130 1340412757 /nfs/dbraw/zinc/41/27/57/1340412757.db2.gz UASYYXRZQLQJJI-ZWKOTPCHSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(OCC)c(C)c1 ZINC001028176429 1340469269 /nfs/dbraw/zinc/46/92/69/1340469269.db2.gz FPFHROWLZNFOGS-MRXNPFEDSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(OCC)c(C)c1 ZINC001028176429 1340469272 /nfs/dbraw/zinc/46/92/72/1340469272.db2.gz FPFHROWLZNFOGS-MRXNPFEDSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccn(C(CC)CC)n1 ZINC001028182106 1340472630 /nfs/dbraw/zinc/47/26/30/1340472630.db2.gz OGZRKWJTXZEAFD-OAHLLOKOSA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(C(CC)CC)n1 ZINC001028182106 1340472632 /nfs/dbraw/zinc/47/26/32/1340472632.db2.gz OGZRKWJTXZEAFD-OAHLLOKOSA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C(F)(F)F)ccn1 ZINC001028241526 1340503311 /nfs/dbraw/zinc/50/33/11/1340503311.db2.gz NWIDARVXBCMHAT-GFCCVEGCSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C(F)(F)F)ccn1 ZINC001028241526 1340503313 /nfs/dbraw/zinc/50/33/13/1340503313.db2.gz NWIDARVXBCMHAT-GFCCVEGCSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ncsc1C(C)C ZINC001028256544 1340516376 /nfs/dbraw/zinc/51/63/76/1340516376.db2.gz JUUFVWGCMWAHPD-LBPRGKRZSA-N 1 2 327.881 3.213 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ncsc1C(C)C ZINC001028256544 1340516377 /nfs/dbraw/zinc/51/63/77/1340516377.db2.gz JUUFVWGCMWAHPD-LBPRGKRZSA-N 1 2 327.881 3.213 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)ccc1OC ZINC001028303494 1340553418 /nfs/dbraw/zinc/55/34/18/1340553418.db2.gz ORLQFXPATGICKR-CYBMUJFWSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)ccc1OC ZINC001028303494 1340553419 /nfs/dbraw/zinc/55/34/19/1340553419.db2.gz ORLQFXPATGICKR-CYBMUJFWSA-N 1 2 343.254 3.295 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(F)s1 ZINC001028346971 1340586227 /nfs/dbraw/zinc/58/62/27/1340586227.db2.gz KUFRTSHHCDQVJM-HNNXBMFYSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(F)s1 ZINC001028346971 1340586229 /nfs/dbraw/zinc/58/62/29/1340586229.db2.gz KUFRTSHHCDQVJM-HNNXBMFYSA-N 1 2 343.427 3.153 20 30 EGEDLO CC(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1)=C1CCC1 ZINC001029302144 1340969165 /nfs/dbraw/zinc/96/91/65/1340969165.db2.gz TXHHDVFQPRSRLE-IYBDPMFKSA-N 1 2 341.480 3.295 20 30 EGEDLO CC(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1)=C1CCC1 ZINC001029302144 1340969166 /nfs/dbraw/zinc/96/91/66/1340969166.db2.gz TXHHDVFQPRSRLE-IYBDPMFKSA-N 1 2 341.480 3.295 20 30 EGEDLO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1)C1CCC1 ZINC001029355096 1340976225 /nfs/dbraw/zinc/97/62/25/1340976225.db2.gz OTNKFYBJQZPYRX-UIFIKXQLSA-N 1 2 336.479 3.150 20 30 EGEDLO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1)C1CCC1 ZINC001029355096 1340976226 /nfs/dbraw/zinc/97/62/26/1340976226.db2.gz OTNKFYBJQZPYRX-UIFIKXQLSA-N 1 2 336.479 3.150 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029452776 1340993405 /nfs/dbraw/zinc/99/34/05/1340993405.db2.gz CRYXOALNXYBGLT-KHYOSLBOSA-N 1 2 343.496 3.397 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029452776 1340993406 /nfs/dbraw/zinc/99/34/06/1340993406.db2.gz CRYXOALNXYBGLT-KHYOSLBOSA-N 1 2 343.496 3.397 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029453158 1340993495 /nfs/dbraw/zinc/99/34/95/1340993495.db2.gz LRLKFUOZHAHNPE-RZUBCFFCSA-N 1 2 336.479 3.316 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029453158 1340993496 /nfs/dbraw/zinc/99/34/96/1340993496.db2.gz LRLKFUOZHAHNPE-RZUBCFFCSA-N 1 2 336.479 3.316 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccns2)CC1 ZINC001029457792 1340994654 /nfs/dbraw/zinc/99/46/54/1340994654.db2.gz TYVPDYOMQAPFJC-IYBDPMFKSA-N 1 2 331.485 3.065 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccns2)CC1 ZINC001029457792 1340994655 /nfs/dbraw/zinc/99/46/55/1340994655.db2.gz TYVPDYOMQAPFJC-IYBDPMFKSA-N 1 2 331.485 3.065 20 30 EGEDLO C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1)C1CC1 ZINC001029600057 1341019310 /nfs/dbraw/zinc/01/93/10/1341019310.db2.gz SQEIRSNIEZQZQJ-CWRNSKLLSA-N 1 2 343.496 3.231 20 30 EGEDLO C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1)C1CC1 ZINC001029600057 1341019311 /nfs/dbraw/zinc/01/93/11/1341019311.db2.gz SQEIRSNIEZQZQJ-CWRNSKLLSA-N 1 2 343.496 3.231 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[NH+]([C@H](C)c2ccc(C(C)C)cc2)C1 ZINC001030977668 1341257088 /nfs/dbraw/zinc/25/70/88/1341257088.db2.gz UMGRWDCEHYEZAB-YSGRDPCXSA-N 1 2 342.483 3.263 20 30 EGEDLO Cc1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)c(C)s1 ZINC001031822006 1341406121 /nfs/dbraw/zinc/40/61/21/1341406121.db2.gz JYIGDHZZXLKGTD-UHFFFAOYSA-N 1 2 345.493 3.160 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)C1 ZINC001031874245 1341415048 /nfs/dbraw/zinc/41/50/48/1341415048.db2.gz PKVILZZZRDLRAU-DLBZAZTESA-N 1 2 336.838 3.120 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc3c(cc(C)cc3C)[nH]2)C1 ZINC001031880200 1341415962 /nfs/dbraw/zinc/41/59/62/1341415962.db2.gz ILYKTTBNQPYXET-UHFFFAOYSA-N 1 2 331.847 3.199 20 30 EGEDLO CC1(C)CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031906446 1341419310 /nfs/dbraw/zinc/41/93/10/1341419310.db2.gz NKLXVNZPVQUDGT-QGZVFWFLSA-N 1 2 343.446 3.072 20 30 EGEDLO C=C1CCC(C(=O)NCC2C[NH+](Cc3cc(F)ccc3F)C2)CC1 ZINC001031951177 1341429493 /nfs/dbraw/zinc/42/94/93/1341429493.db2.gz BZSCSJFGOFVQHX-UHFFFAOYSA-N 1 2 334.410 3.259 20 30 EGEDLO CC[C@H]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031953583 1341430797 /nfs/dbraw/zinc/43/07/97/1341430797.db2.gz MLWPVWDPEXDKTN-WMZOPIPTSA-N 1 2 343.446 3.072 20 30 EGEDLO CC[C@H]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001032086878 1341451352 /nfs/dbraw/zinc/45/13/52/1341451352.db2.gz CJPGMSKYDUQGGW-PXNSSMCTSA-N 1 2 339.483 3.323 20 30 EGEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cccc(C3CC3)c2)C1 ZINC001032212804 1341474539 /nfs/dbraw/zinc/47/45/39/1341474539.db2.gz CTTPZHFBRJOQTI-UHFFFAOYSA-N 1 2 345.446 3.297 20 30 EGEDLO CCc1ccccc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032591342 1341550922 /nfs/dbraw/zinc/55/09/22/1341550922.db2.gz FKQDPTWPCNFSAB-PMACEKPBSA-N 1 2 345.446 3.220 20 30 EGEDLO CCc1ccccc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032591342 1341550923 /nfs/dbraw/zinc/55/09/23/1341550923.db2.gz FKQDPTWPCNFSAB-PMACEKPBSA-N 1 2 345.446 3.220 20 30 EGEDLO CCC1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)CCCC1 ZINC001032708916 1341585900 /nfs/dbraw/zinc/58/59/00/1341585900.db2.gz IBNNLIVVUFUDGJ-OALUTQOASA-N 1 2 337.467 3.314 20 30 EGEDLO CCC1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)CCCC1 ZINC001032708916 1341585903 /nfs/dbraw/zinc/58/59/03/1341585903.db2.gz IBNNLIVVUFUDGJ-OALUTQOASA-N 1 2 337.467 3.314 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C=C2CCCCC2)C1 ZINC001032939672 1341670628 /nfs/dbraw/zinc/67/06/28/1341670628.db2.gz AIXJWFSQRDPWJZ-HNNXBMFYSA-N 1 2 341.293 3.318 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C=C2CCCCC2)C1 ZINC001032939672 1341670630 /nfs/dbraw/zinc/67/06/30/1341670630.db2.gz AIXJWFSQRDPWJZ-HNNXBMFYSA-N 1 2 341.293 3.318 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@]2(C)CC=CCC2)C1 ZINC001033108454 1341728101 /nfs/dbraw/zinc/72/81/01/1341728101.db2.gz RDNXLOPVQJGYQR-GOEBONIOSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(C)CC=CCC2)C1 ZINC001033108454 1341728102 /nfs/dbraw/zinc/72/81/02/1341728102.db2.gz RDNXLOPVQJGYQR-GOEBONIOSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2([C@H]3CCCCO3)CCC2)C1 ZINC001033259278 1341761228 /nfs/dbraw/zinc/76/12/28/1341761228.db2.gz KPWXNSXEXYGHIM-JKSUJKDBSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2([C@H]3CCCCO3)CCC2)C1 ZINC001033259278 1341761230 /nfs/dbraw/zinc/76/12/30/1341761230.db2.gz KPWXNSXEXYGHIM-JKSUJKDBSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001033270154 1341764532 /nfs/dbraw/zinc/76/45/32/1341764532.db2.gz YQRDGQDSEAMQCY-RDJZCZTQSA-N 1 2 336.838 3.141 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001033270154 1341764535 /nfs/dbraw/zinc/76/45/35/1341764535.db2.gz YQRDGQDSEAMQCY-RDJZCZTQSA-N 1 2 336.838 3.141 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnc3ccsc3c2)C1 ZINC001033330545 1341784472 /nfs/dbraw/zinc/78/44/72/1341784472.db2.gz DEOKCWLFHISYEH-CYBMUJFWSA-N 1 2 335.860 3.195 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc3ccsc3c2)C1 ZINC001033330545 1341784474 /nfs/dbraw/zinc/78/44/74/1341784474.db2.gz DEOKCWLFHISYEH-CYBMUJFWSA-N 1 2 335.860 3.195 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@H]2CC[N@H+](Cc3nc(C)oc3C)C2)CC1 ZINC001033390086 1341808472 /nfs/dbraw/zinc/80/84/72/1341808472.db2.gz ZTEAMFLESZAUHC-KRWDZBQOSA-N 1 2 331.460 3.071 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@H]2CC[N@@H+](Cc3nc(C)oc3C)C2)CC1 ZINC001033390086 1341808473 /nfs/dbraw/zinc/80/84/73/1341808473.db2.gz ZTEAMFLESZAUHC-KRWDZBQOSA-N 1 2 331.460 3.071 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(F)c3ncccc3c2)C1 ZINC001033509802 1341851790 /nfs/dbraw/zinc/85/17/90/1341851790.db2.gz SVGCMLQQFIRVEG-OAHLLOKOSA-N 1 2 347.821 3.273 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(F)c3ncccc3c2)C1 ZINC001033509802 1341851791 /nfs/dbraw/zinc/85/17/91/1341851791.db2.gz SVGCMLQQFIRVEG-OAHLLOKOSA-N 1 2 347.821 3.273 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2coc(-c3ccccc3)n2)C1 ZINC001033587967 1341885598 /nfs/dbraw/zinc/88/55/98/1341885598.db2.gz GQFQRQJAKQOMQR-HNNXBMFYSA-N 1 2 345.830 3.240 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2coc(-c3ccccc3)n2)C1 ZINC001033587967 1341885600 /nfs/dbraw/zinc/88/56/00/1341885600.db2.gz GQFQRQJAKQOMQR-HNNXBMFYSA-N 1 2 345.830 3.240 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001033600584 1341891314 /nfs/dbraw/zinc/89/13/14/1341891314.db2.gz BNLAHHRJQDNNPM-BPLDGKMQSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001033600584 1341891317 /nfs/dbraw/zinc/89/13/17/1341891317.db2.gz BNLAHHRJQDNNPM-BPLDGKMQSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001033600585 1341891546 /nfs/dbraw/zinc/89/15/46/1341891546.db2.gz BNLAHHRJQDNNPM-QEJZJMRPSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001033600585 1341891549 /nfs/dbraw/zinc/89/15/49/1341891549.db2.gz BNLAHHRJQDNNPM-QEJZJMRPSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3ccccc3n2)C1 ZINC001033609410 1341900283 /nfs/dbraw/zinc/90/02/83/1341900283.db2.gz MFDLFXVEZQCYCA-OAHLLOKOSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3ccccc3n2)C1 ZINC001033609410 1341900288 /nfs/dbraw/zinc/90/02/88/1341900288.db2.gz MFDLFXVEZQCYCA-OAHLLOKOSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001033687630 1341952139 /nfs/dbraw/zinc/95/21/39/1341952139.db2.gz AVLGNXLBMZDROB-QGZVFWFLSA-N 1 2 332.875 3.312 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001033687630 1341952141 /nfs/dbraw/zinc/95/21/41/1341952141.db2.gz AVLGNXLBMZDROB-QGZVFWFLSA-N 1 2 332.875 3.312 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc3oc(C)nc32)C1 ZINC001033694176 1341958321 /nfs/dbraw/zinc/95/83/21/1341958321.db2.gz KDSNGWXJJXLKFX-CYBMUJFWSA-N 1 2 333.819 3.035 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3oc(C)nc32)C1 ZINC001033694176 1341958322 /nfs/dbraw/zinc/95/83/22/1341958322.db2.gz KDSNGWXJJXLKFX-CYBMUJFWSA-N 1 2 333.819 3.035 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@]2(C)CCc3ccccc3C2)C1 ZINC001033714321 1341972805 /nfs/dbraw/zinc/97/28/05/1341972805.db2.gz PKWCKYVRJVGILV-AZUAARDMSA-N 1 2 346.902 3.467 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(C)CCc3ccccc3C2)C1 ZINC001033714321 1341972806 /nfs/dbraw/zinc/97/28/06/1341972806.db2.gz PKWCKYVRJVGILV-AZUAARDMSA-N 1 2 346.902 3.467 20 30 EGEDLO CCN(C(=O)c1ccoc1C)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033751668 1341996806 /nfs/dbraw/zinc/99/68/06/1341996806.db2.gz KTRXKVCLTVXVCG-SFHVURJKSA-N 1 2 337.423 3.196 20 30 EGEDLO CCN(C(=O)c1ccoc1C)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033751668 1341996807 /nfs/dbraw/zinc/99/68/07/1341996807.db2.gz KTRXKVCLTVXVCG-SFHVURJKSA-N 1 2 337.423 3.196 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)c2csc([C@@H]3CCCO3)n2)C1 ZINC001033828809 1342029367 /nfs/dbraw/zinc/02/93/67/1342029367.db2.gz RMGMVOKLPLPBPB-ZBFHGGJFSA-N 1 2 349.500 3.107 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2csc([C@@H]3CCCO3)n2)C1 ZINC001033828809 1342029372 /nfs/dbraw/zinc/02/93/72/1342029372.db2.gz RMGMVOKLPLPBPB-ZBFHGGJFSA-N 1 2 349.500 3.107 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc3ccccc3n2C)C1 ZINC001033944797 1342105877 /nfs/dbraw/zinc/10/58/77/1342105877.db2.gz YMEBLSKVZWSXNQ-INIZCTEOSA-N 1 2 345.874 3.467 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc3ccccc3n2C)C1 ZINC001033944797 1342105879 /nfs/dbraw/zinc/10/58/79/1342105879.db2.gz YMEBLSKVZWSXNQ-INIZCTEOSA-N 1 2 345.874 3.467 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3ccccc3O2)C1 ZINC001033991749 1342134277 /nfs/dbraw/zinc/13/42/77/1342134277.db2.gz LMVWLNFFNRDIKG-FUHWJXTLSA-N 1 2 348.874 3.056 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3ccccc3O2)C1 ZINC001033991749 1342134279 /nfs/dbraw/zinc/13/42/79/1342134279.db2.gz LMVWLNFFNRDIKG-FUHWJXTLSA-N 1 2 348.874 3.056 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)C[C@@H]2C=CCC2)C1 ZINC001034089382 1342226827 /nfs/dbraw/zinc/22/68/27/1342226827.db2.gz CEGLNHQAYZORFC-CABCVRRESA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2C=CCC2)C1 ZINC001034089382 1342226829 /nfs/dbraw/zinc/22/68/29/1342226829.db2.gz CEGLNHQAYZORFC-CABCVRRESA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001034295135 1342378852 /nfs/dbraw/zinc/37/88/52/1342378852.db2.gz FDQGWVZPDIFQAJ-AWEZNQCLSA-N 1 2 333.819 3.165 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001034295135 1342378855 /nfs/dbraw/zinc/37/88/55/1342378855.db2.gz FDQGWVZPDIFQAJ-AWEZNQCLSA-N 1 2 333.819 3.165 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cc(Cl)cn2C)C1 ZINC001034296304 1342379787 /nfs/dbraw/zinc/37/97/87/1342379787.db2.gz OIUSDQPLTQNMRC-ZDUSSCGKSA-N 1 2 330.259 3.015 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cc(Cl)cn2C)C1 ZINC001034296304 1342379789 /nfs/dbraw/zinc/37/97/89/1342379789.db2.gz OIUSDQPLTQNMRC-ZDUSSCGKSA-N 1 2 330.259 3.015 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001034297150 1342380110 /nfs/dbraw/zinc/38/01/10/1342380110.db2.gz QKBZICWITUIOGT-MRXNPFEDSA-N 1 2 333.863 3.296 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001034297150 1342380112 /nfs/dbraw/zinc/38/01/12/1342380112.db2.gz QKBZICWITUIOGT-MRXNPFEDSA-N 1 2 333.863 3.296 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cc(C)ccc2OC)C1 ZINC001034304159 1342386628 /nfs/dbraw/zinc/38/66/28/1342386628.db2.gz PCVXDFKFGKKLSY-HNNXBMFYSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cc(C)ccc2OC)C1 ZINC001034304159 1342386630 /nfs/dbraw/zinc/38/66/30/1342386630.db2.gz PCVXDFKFGKKLSY-HNNXBMFYSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)C2(C)CCCC2)C1 ZINC001034334019 1342408301 /nfs/dbraw/zinc/40/83/01/1342408301.db2.gz XPBATZCKEYHQJM-AWEZNQCLSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)C2(C)CCCC2)C1 ZINC001034334019 1342408304 /nfs/dbraw/zinc/40/83/04/1342408304.db2.gz XPBATZCKEYHQJM-AWEZNQCLSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cncc(Cl)c2)C1 ZINC001034452421 1342510694 /nfs/dbraw/zinc/51/06/94/1342510694.db2.gz MLGIYIQDLGOSOQ-CQSZACIVSA-N 1 2 328.243 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cncc(Cl)c2)C1 ZINC001034452421 1342510698 /nfs/dbraw/zinc/51/06/98/1342510698.db2.gz MLGIYIQDLGOSOQ-CQSZACIVSA-N 1 2 328.243 3.072 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cc(-c3ccoc3)n[nH]2)C1 ZINC001034528041 1342584117 /nfs/dbraw/zinc/58/41/17/1342584117.db2.gz ITQWADBCIRCVRS-AWEZNQCLSA-N 1 2 348.834 3.007 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cc(-c3ccoc3)n[nH]2)C1 ZINC001034528041 1342584122 /nfs/dbraw/zinc/58/41/22/1342584122.db2.gz ITQWADBCIRCVRS-AWEZNQCLSA-N 1 2 348.834 3.007 20 30 EGEDLO C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C(F)C(F)(F)F)CC2 ZINC001035188182 1343002413 /nfs/dbraw/zinc/00/24/13/1343002413.db2.gz SRVJAMIWSAAZGG-ZDUSSCGKSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C(F)C(F)(F)F)CC2 ZINC001035188182 1343002417 /nfs/dbraw/zinc/00/24/17/1343002417.db2.gz SRVJAMIWSAAZGG-ZDUSSCGKSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](F)C(F)(F)F)CC2 ZINC001035188182 1343002422 /nfs/dbraw/zinc/00/24/22/1343002422.db2.gz SRVJAMIWSAAZGG-ZDUSSCGKSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](F)C(F)(F)F)CC2 ZINC001035188182 1343002431 /nfs/dbraw/zinc/00/24/31/1343002431.db2.gz SRVJAMIWSAAZGG-ZDUSSCGKSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC001035591954 1343096052 /nfs/dbraw/zinc/09/60/52/1343096052.db2.gz ZEIZCVKIBPTOIL-HNNXBMFYSA-N 1 2 343.254 3.000 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC001035591954 1343096055 /nfs/dbraw/zinc/09/60/55/1343096055.db2.gz ZEIZCVKIBPTOIL-HNNXBMFYSA-N 1 2 343.254 3.000 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C2CCC(C(C)(C)C)CC2)C1 ZINC001035599273 1343098366 /nfs/dbraw/zinc/09/83/66/1343098366.db2.gz DDQUMFNBPUOTJF-DAWZGUTISA-N 1 2 336.520 3.232 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C2CCC(C(C)(C)C)CC2)C1 ZINC001035599273 1343098368 /nfs/dbraw/zinc/09/83/68/1343098368.db2.gz DDQUMFNBPUOTJF-DAWZGUTISA-N 1 2 336.520 3.232 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccc(C)cc1OC)CC2 ZINC001035839862 1343222564 /nfs/dbraw/zinc/22/25/64/1343222564.db2.gz DSROGNJQJUNVJG-UHFFFAOYSA-N 1 2 348.874 3.294 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)Oc1ccccc1)CC2 ZINC001035845185 1343226498 /nfs/dbraw/zinc/22/64/98/1343226498.db2.gz ARBDUZXATNCOOV-MRXNPFEDSA-N 1 2 348.874 3.131 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038170243 1344310623 /nfs/dbraw/zinc/31/06/23/1344310623.db2.gz ZUCYNXHTDSGGFW-YVEFUNNKSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038170243 1344310624 /nfs/dbraw/zinc/31/06/24/1344310624.db2.gz ZUCYNXHTDSGGFW-YVEFUNNKSA-N 1 2 342.830 3.105 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)C2=CCCCCC2)s1 ZINC001038189728 1344317331 /nfs/dbraw/zinc/31/73/31/1344317331.db2.gz GGSCWAWLJDQKDS-OAHLLOKOSA-N 1 2 329.469 3.201 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)C2=CCCCCC2)s1 ZINC001038189728 1344317337 /nfs/dbraw/zinc/31/73/37/1344317337.db2.gz GGSCWAWLJDQKDS-OAHLLOKOSA-N 1 2 329.469 3.201 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@H+]1[C@H](C)c1ccccc1F ZINC001038344174 1344387699 /nfs/dbraw/zinc/38/76/99/1344387699.db2.gz FKKBSTAGSQRWMD-CVEARBPZSA-N 1 2 341.430 3.379 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)c1ccccc1F ZINC001038344174 1344387706 /nfs/dbraw/zinc/38/77/06/1344387706.db2.gz FKKBSTAGSQRWMD-CVEARBPZSA-N 1 2 341.430 3.379 20 30 EGEDLO C=CCOc1ccc(C(=O)NC[C@@H]2CC[N@H+]2CCC(F)(F)F)cc1 ZINC001038426864 1344423591 /nfs/dbraw/zinc/42/35/91/1344423591.db2.gz ABQVQMAOJDURHK-AWEZNQCLSA-N 1 2 342.361 3.008 20 30 EGEDLO C=CCOc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CCC(F)(F)F)cc1 ZINC001038426864 1344423592 /nfs/dbraw/zinc/42/35/92/1344423592.db2.gz ABQVQMAOJDURHK-AWEZNQCLSA-N 1 2 342.361 3.008 20 30 EGEDLO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)cc1F ZINC001038483920 1344445854 /nfs/dbraw/zinc/44/58/54/1344445854.db2.gz HNBKFRZJNXEZEX-SFHVURJKSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)cc1F ZINC001038483920 1344445856 /nfs/dbraw/zinc/44/58/56/1344445856.db2.gz HNBKFRZJNXEZEX-SFHVURJKSA-N 1 2 337.398 3.010 20 30 EGEDLO CC(C)c1[nH]ccc1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001038610250 1344501955 /nfs/dbraw/zinc/50/19/55/1344501955.db2.gz BMHQOSWEBSXELL-CYBMUJFWSA-N 1 2 342.468 3.076 20 30 EGEDLO CC(C)c1[nH]ccc1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001038610250 1344501959 /nfs/dbraw/zinc/50/19/59/1344501959.db2.gz BMHQOSWEBSXELL-CYBMUJFWSA-N 1 2 342.468 3.076 20 30 EGEDLO Cc1c(C(=O)NC[C@H]2CC[N@@H+]2CC#Cc2ccccc2)ccn1C(C)C ZINC001038621585 1344507865 /nfs/dbraw/zinc/50/78/65/1344507865.db2.gz NKXXDAXEFMNGLE-HXUWFJFHSA-N 1 2 349.478 3.233 20 30 EGEDLO Cc1c(C(=O)NC[C@H]2CC[N@H+]2CC#Cc2ccccc2)ccn1C(C)C ZINC001038621585 1344507866 /nfs/dbraw/zinc/50/78/66/1344507866.db2.gz NKXXDAXEFMNGLE-HXUWFJFHSA-N 1 2 349.478 3.233 20 30 EGEDLO CC1(C)CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)C1 ZINC001038674040 1344536716 /nfs/dbraw/zinc/53/67/16/1344536716.db2.gz MJCRIPCDGWIGBJ-KGLIPLIRSA-N 1 2 331.485 3.137 20 30 EGEDLO CC1(C)CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)C1 ZINC001038674040 1344536717 /nfs/dbraw/zinc/53/67/17/1344536717.db2.gz MJCRIPCDGWIGBJ-KGLIPLIRSA-N 1 2 331.485 3.137 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc(Cl)cs2)cc1 ZINC001038769530 1344576453 /nfs/dbraw/zinc/57/64/53/1344576453.db2.gz XGHUPITZCFDNDI-OAHLLOKOSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc(Cl)cs2)cc1 ZINC001038769530 1344576457 /nfs/dbraw/zinc/57/64/57/1344576457.db2.gz XGHUPITZCFDNDI-OAHLLOKOSA-N 1 2 345.855 3.277 20 30 EGEDLO CCc1cc(C)c(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)o1 ZINC001038924499 1344655688 /nfs/dbraw/zinc/65/56/88/1344655688.db2.gz YSJOSYSJZOSNEU-QGZVFWFLSA-N 1 2 337.423 3.026 20 30 EGEDLO CCc1cc(C)c(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)o1 ZINC001038924499 1344655693 /nfs/dbraw/zinc/65/56/93/1344655693.db2.gz YSJOSYSJZOSNEU-QGZVFWFLSA-N 1 2 337.423 3.026 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2coc3ccccc23)c1 ZINC001039075964 1344756311 /nfs/dbraw/zinc/75/63/11/1344756311.db2.gz GHWSCZCGSCHSOA-QGZVFWFLSA-N 1 2 345.402 3.309 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2coc3ccccc23)c1 ZINC001039075964 1344756313 /nfs/dbraw/zinc/75/63/13/1344756313.db2.gz GHWSCZCGSCHSOA-QGZVFWFLSA-N 1 2 345.402 3.309 20 30 EGEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)C1CCCC1 ZINC001079343085 1357222822 /nfs/dbraw/zinc/22/28/22/1357222822.db2.gz RDLOGKGXTYFSRG-DNVCBOLYSA-N 1 2 344.886 3.318 20 30 EGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)C1CCCC1 ZINC001079343085 1357222828 /nfs/dbraw/zinc/22/28/28/1357222828.db2.gz RDLOGKGXTYFSRG-DNVCBOLYSA-N 1 2 344.886 3.318 20 30 EGEDLO CC[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001039514908 1345124552 /nfs/dbraw/zinc/12/45/52/1345124552.db2.gz IQDPPQRAEBKHRH-LZQZEXGQSA-N 1 2 325.456 3.170 20 30 EGEDLO CC[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001039514908 1345124555 /nfs/dbraw/zinc/12/45/55/1345124555.db2.gz IQDPPQRAEBKHRH-LZQZEXGQSA-N 1 2 325.456 3.170 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cncc(C)c1 ZINC001039827032 1345201172 /nfs/dbraw/zinc/20/11/72/1345201172.db2.gz HWWCAVSRRSUTQJ-HDICACEKSA-N 1 2 327.472 3.168 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cncc(C)c1 ZINC001039827032 1345201173 /nfs/dbraw/zinc/20/11/73/1345201173.db2.gz HWWCAVSRRSUTQJ-HDICACEKSA-N 1 2 327.472 3.168 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(Cl)o3)C[C@@H]21 ZINC001041942633 1345904522 /nfs/dbraw/zinc/90/45/22/1345904522.db2.gz OMXHKAMEBRUANB-NEPJUHHUSA-N 1 2 329.227 3.222 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(Cl)o3)C[C@@H]21 ZINC001041942633 1345904523 /nfs/dbraw/zinc/90/45/23/1345904523.db2.gz OMXHKAMEBRUANB-NEPJUHHUSA-N 1 2 329.227 3.222 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3sccc3OC)C[C@@H]21 ZINC001042319608 1346031427 /nfs/dbraw/zinc/03/14/27/1346031427.db2.gz KHYZKBNNNMGRLB-OLZOCXBDSA-N 1 2 340.876 3.046 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3sccc3OC)C[C@@H]21 ZINC001042319608 1346031428 /nfs/dbraw/zinc/03/14/28/1346031428.db2.gz KHYZKBNNNMGRLB-OLZOCXBDSA-N 1 2 340.876 3.046 20 30 EGEDLO C#Cc1cncc(C(=O)N(C)C2C[NH+](Cc3ccc(C(C)C)cc3)C2)c1 ZINC001043821183 1346214042 /nfs/dbraw/zinc/21/40/42/1346214042.db2.gz CQXJFXUNLWMSKM-UHFFFAOYSA-N 1 2 347.462 3.143 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)on1 ZINC001045839997 1346715866 /nfs/dbraw/zinc/71/58/66/1346715866.db2.gz AFIIOUJBABRFFL-AOIWGVFYSA-N 1 2 331.460 3.151 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)on1 ZINC001045839997 1346715868 /nfs/dbraw/zinc/71/58/68/1346715868.db2.gz AFIIOUJBABRFFL-AOIWGVFYSA-N 1 2 331.460 3.151 20 30 EGEDLO C[C@]1(NC(=O)C2CCC2)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001046095348 1346836728 /nfs/dbraw/zinc/83/67/28/1346836728.db2.gz HFEADXVAOSRRBO-IBGZPJMESA-N 1 2 330.859 3.072 20 30 EGEDLO C[C@]1(NC(=O)C2CCC2)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001046095348 1346836731 /nfs/dbraw/zinc/83/67/31/1346836731.db2.gz HFEADXVAOSRRBO-IBGZPJMESA-N 1 2 330.859 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3cc(OC)ccc32)C1 ZINC001046362681 1346950254 /nfs/dbraw/zinc/95/02/54/1346950254.db2.gz UFROFCUSXBRYFQ-MJGOQNOKSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3cc(OC)ccc32)C1 ZINC001046362681 1346950255 /nfs/dbraw/zinc/95/02/55/1346950255.db2.gz UFROFCUSXBRYFQ-MJGOQNOKSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC001046465878 1346983643 /nfs/dbraw/zinc/98/36/43/1346983643.db2.gz VRJXFWOELOSIOW-GOSISDBHSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC001046465878 1346983645 /nfs/dbraw/zinc/98/36/45/1346983645.db2.gz VRJXFWOELOSIOW-GOSISDBHSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C1CCC(C(=O)N[C@]2(C)CC[N@@H+](Cc3nc(C)c(C)o3)C2)CC1 ZINC001046594957 1347031082 /nfs/dbraw/zinc/03/10/82/1347031082.db2.gz SSHQUAWEBYOBJD-LJQANCHMSA-N 1 2 331.460 3.118 20 30 EGEDLO C=C1CCC(C(=O)N[C@]2(C)CC[N@H+](Cc3nc(C)c(C)o3)C2)CC1 ZINC001046594957 1347031085 /nfs/dbraw/zinc/03/10/85/1347031085.db2.gz SSHQUAWEBYOBJD-LJQANCHMSA-N 1 2 331.460 3.118 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(OCC)c(C)c2)C1 ZINC001046672686 1347057876 /nfs/dbraw/zinc/05/78/76/1347057876.db2.gz XBBXBXNGMSTJEP-SFHVURJKSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(OCC)c(C)c2)C1 ZINC001046672686 1347057879 /nfs/dbraw/zinc/05/78/79/1347057879.db2.gz XBBXBXNGMSTJEP-SFHVURJKSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C1 ZINC001046691877 1347063781 /nfs/dbraw/zinc/06/37/81/1347063781.db2.gz ZTGGIFKFEQNIHK-SCTDSRPQSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C1 ZINC001046691877 1347063784 /nfs/dbraw/zinc/06/37/84/1347063784.db2.gz ZTGGIFKFEQNIHK-SCTDSRPQSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccnc(C3CCCC3)n2)C1 ZINC001046740502 1347077888 /nfs/dbraw/zinc/07/78/88/1347077888.db2.gz VEBXJSIAVJEKIK-SFHVURJKSA-N 1 2 348.878 3.081 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccnc(C3CCCC3)n2)C1 ZINC001046740502 1347077890 /nfs/dbraw/zinc/07/78/90/1347077890.db2.gz VEBXJSIAVJEKIK-SFHVURJKSA-N 1 2 348.878 3.081 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(C)[nH]c2C)C1 ZINC001046980728 1347175846 /nfs/dbraw/zinc/17/58/46/1347175846.db2.gz NJGOCSASILCOJW-ZDUSSCGKSA-N 1 2 345.821 3.071 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(C)[nH]c2C)C1 ZINC001046980728 1347175848 /nfs/dbraw/zinc/17/58/48/1347175848.db2.gz NJGOCSASILCOJW-ZDUSSCGKSA-N 1 2 345.821 3.071 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(F)=C(C)C ZINC001049413847 1347836520 /nfs/dbraw/zinc/83/65/20/1347836520.db2.gz AVGHXMWKFZAPMY-OLZOCXBDSA-N 1 2 345.256 3.224 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(F)=C(C)C ZINC001049413847 1347836525 /nfs/dbraw/zinc/83/65/25/1347836525.db2.gz AVGHXMWKFZAPMY-OLZOCXBDSA-N 1 2 345.256 3.224 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(F)=C(C)C ZINC001049413849 1347836604 /nfs/dbraw/zinc/83/66/04/1347836604.db2.gz AVGHXMWKFZAPMY-STQMWFEESA-N 1 2 345.256 3.224 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(F)=C(C)C ZINC001049413849 1347836608 /nfs/dbraw/zinc/83/66/08/1347836608.db2.gz AVGHXMWKFZAPMY-STQMWFEESA-N 1 2 345.256 3.224 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccoc1Cl ZINC001049431754 1347847646 /nfs/dbraw/zinc/84/76/46/1347847646.db2.gz KAYWYNCLMBNVET-QWHCGFSZSA-N 1 2 329.227 3.364 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccoc1Cl ZINC001049431754 1347847651 /nfs/dbraw/zinc/84/76/51/1347847651.db2.gz KAYWYNCLMBNVET-QWHCGFSZSA-N 1 2 329.227 3.364 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1nnc(C)s1 ZINC001049635941 1347946387 /nfs/dbraw/zinc/94/63/87/1347946387.db2.gz WYLOWBGCYIXVEK-CABCVRRESA-N 1 2 348.516 3.014 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1nnc(C)s1 ZINC001049635941 1347946389 /nfs/dbraw/zinc/94/63/89/1347946389.db2.gz WYLOWBGCYIXVEK-CABCVRRESA-N 1 2 348.516 3.014 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1CC ZINC001049739247 1347994992 /nfs/dbraw/zinc/99/49/92/1347994992.db2.gz YCLRHURSJPLVCD-TUVASFSCSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1CC ZINC001049739247 1347994993 /nfs/dbraw/zinc/99/49/93/1347994993.db2.gz YCLRHURSJPLVCD-TUVASFSCSA-N 1 2 341.293 3.006 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1csc2cc(C)ccc21 ZINC001050938427 1348375749 /nfs/dbraw/zinc/37/57/49/1348375749.db2.gz RBUNENBDQATTRN-OAHLLOKOSA-N 1 2 344.480 3.216 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1csc2cc(C)ccc21 ZINC001050938427 1348375753 /nfs/dbraw/zinc/37/57/53/1348375753.db2.gz RBUNENBDQATTRN-OAHLLOKOSA-N 1 2 344.480 3.216 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(Cl)sc1Cl ZINC001050956648 1348377268 /nfs/dbraw/zinc/37/72/68/1348377268.db2.gz WPLFUGOJQLLTSS-SNVBAGLBSA-N 1 2 349.283 3.062 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(Cl)sc1Cl ZINC001050956648 1348377271 /nfs/dbraw/zinc/37/72/71/1348377271.db2.gz WPLFUGOJQLLTSS-SNVBAGLBSA-N 1 2 349.283 3.062 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(C2CC2)oc1C1CC1 ZINC001051030766 1348385231 /nfs/dbraw/zinc/38/52/31/1348385231.db2.gz FRMJOROPGCVZDN-MRXNPFEDSA-N 1 2 344.455 3.041 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C2CC2)oc1C1CC1 ZINC001051030766 1348385233 /nfs/dbraw/zinc/38/52/33/1348385233.db2.gz FRMJOROPGCVZDN-MRXNPFEDSA-N 1 2 344.455 3.041 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2COCC[N@H+]2Cc2ccccc2C)CC1 ZINC001051100732 1348392374 /nfs/dbraw/zinc/39/23/74/1348392374.db2.gz XTRUAVVYKTVAFY-HXUWFJFHSA-N 1 2 342.483 3.058 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2COCC[N@@H+]2Cc2ccccc2C)CC1 ZINC001051100732 1348392377 /nfs/dbraw/zinc/39/23/77/1348392377.db2.gz XTRUAVVYKTVAFY-HXUWFJFHSA-N 1 2 342.483 3.058 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C2CC2)s1 ZINC001051208824 1348403321 /nfs/dbraw/zinc/40/33/21/1348403321.db2.gz CKGHDQGWPGPELP-HNNXBMFYSA-N 1 2 334.485 3.022 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C2CC2)s1 ZINC001051208824 1348403324 /nfs/dbraw/zinc/40/33/24/1348403324.db2.gz CKGHDQGWPGPELP-HNNXBMFYSA-N 1 2 334.485 3.022 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc([C@H](C)CC)cc1 ZINC001051259021 1348410449 /nfs/dbraw/zinc/41/04/49/1348410449.db2.gz SIGNVHCFFHJELK-VQIMIIECSA-N 1 2 330.472 3.207 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc([C@H](C)CC)cc1 ZINC001051259021 1348410451 /nfs/dbraw/zinc/41/04/51/1348410451.db2.gz SIGNVHCFFHJELK-VQIMIIECSA-N 1 2 330.472 3.207 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+]([C@H](C)c3csnn3)CC2)CC1 ZINC001052681941 1348628812 /nfs/dbraw/zinc/62/88/12/1348628812.db2.gz KBLSBRLFHKIRLN-ZBFHGGJFSA-N 1 2 348.516 3.316 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@H+]([C@H](C)c3csnn3)CC2)CC1 ZINC001052681941 1348628813 /nfs/dbraw/zinc/62/88/13/1348628813.db2.gz KBLSBRLFHKIRLN-ZBFHGGJFSA-N 1 2 348.516 3.316 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccccc1C(C)(C)C)O2 ZINC001053615504 1349077920 /nfs/dbraw/zinc/07/79/20/1349077920.db2.gz NCGGYWWLQQIAHQ-INIZCTEOSA-N 1 2 342.483 3.133 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1CCCCCCC1)O2 ZINC001053625616 1349080658 /nfs/dbraw/zinc/08/06/58/1349080658.db2.gz AOMHJUMKRXRXAQ-SFHVURJKSA-N 1 2 334.504 3.273 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(CC(C)C)s1)CO2 ZINC001053831594 1349112774 /nfs/dbraw/zinc/11/27/74/1349112774.db2.gz KHYNODXLXUPZRM-OAHLLOKOSA-N 1 2 348.512 3.096 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc(C3CCC3)c1)CO2 ZINC001053981663 1349127687 /nfs/dbraw/zinc/12/76/87/1349127687.db2.gz RRMLWIABINZUSV-IBGZPJMESA-N 1 2 340.467 3.103 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc4[nH]ccc4c3)cc2C1 ZINC001054278868 1349279568 /nfs/dbraw/zinc/27/95/68/1349279568.db2.gz PIHQHTZLPZRQLN-UHFFFAOYSA-N 1 2 329.403 3.047 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc4[nH]ccc4c3)cc2C1 ZINC001054278868 1349279570 /nfs/dbraw/zinc/27/95/70/1349279570.db2.gz PIHQHTZLPZRQLN-UHFFFAOYSA-N 1 2 329.403 3.047 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc(F)cc(Cl)c3)cc2C1 ZINC001054283679 1349284955 /nfs/dbraw/zinc/28/49/55/1349284955.db2.gz NTKPGPCLNQWVJP-UHFFFAOYSA-N 1 2 342.801 3.358 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc(F)cc(Cl)c3)cc2C1 ZINC001054283679 1349284963 /nfs/dbraw/zinc/28/49/63/1349284963.db2.gz NTKPGPCLNQWVJP-UHFFFAOYSA-N 1 2 342.801 3.358 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)cc2F)C1 ZINC001080074338 1357475947 /nfs/dbraw/zinc/47/59/47/1357475947.db2.gz PGRSOWLERAMTKL-YMTOWFKASA-N 1 2 331.218 3.282 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)cc2F)C1 ZINC001080074338 1357475949 /nfs/dbraw/zinc/47/59/49/1357475949.db2.gz PGRSOWLERAMTKL-YMTOWFKASA-N 1 2 331.218 3.282 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2coc3ccc(OC)cc32)C1 ZINC001080099693 1357484017 /nfs/dbraw/zinc/48/40/17/1357484017.db2.gz WGJVVMZLLCKIAB-BDJLRTHQSA-N 1 2 348.830 3.244 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2coc3ccc(OC)cc32)C1 ZINC001080099693 1357484018 /nfs/dbraw/zinc/48/40/18/1357484018.db2.gz WGJVVMZLLCKIAB-BDJLRTHQSA-N 1 2 348.830 3.244 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCN(c3cc(C)[nH+]c(C(C)C)n3)C2)C1 ZINC001058236259 1350231302 /nfs/dbraw/zinc/23/13/02/1350231302.db2.gz PTBQXJOGUOAMOT-INIZCTEOSA-N 1 2 342.487 3.350 20 30 EGEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)C1(C)CCC1 ZINC001080271875 1357544088 /nfs/dbraw/zinc/54/40/88/1357544088.db2.gz MZBXHAOTHDGEEW-CRAIPNDOSA-N 1 2 344.886 3.318 20 30 EGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)C1(C)CCC1 ZINC001080271875 1357544091 /nfs/dbraw/zinc/54/40/91/1357544091.db2.gz MZBXHAOTHDGEEW-CRAIPNDOSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(Cl)c2F)C1 ZINC001080374847 1357592355 /nfs/dbraw/zinc/59/23/55/1357592355.db2.gz RELJXUJZQYTIAH-NOZJJQNGSA-N 1 2 331.218 3.282 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(Cl)c2F)C1 ZINC001080374847 1357592356 /nfs/dbraw/zinc/59/23/56/1357592356.db2.gz RELJXUJZQYTIAH-NOZJJQNGSA-N 1 2 331.218 3.282 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCCC[C@@]2(CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001065180236 1352751489 /nfs/dbraw/zinc/75/14/89/1352751489.db2.gz LTGRNCCSKVMEMV-FQEVSTJZSA-N 1 2 342.487 3.206 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCN(c3cc[nH+]c(C)n3)CC2(C)C)CC1 ZINC001067338272 1353371596 /nfs/dbraw/zinc/37/15/96/1353371596.db2.gz QPDSLYWHUYVJLR-KRWDZBQOSA-N 1 2 342.487 3.253 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC(CN(CC)c2cc[nH+]c(C)n2)CC1 ZINC001067637923 1353477167 /nfs/dbraw/zinc/47/71/67/1353477167.db2.gz QIBRYOHVWUZYDL-FQEVSTJZSA-N 1 2 344.503 3.452 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001067793270 1353526271 /nfs/dbraw/zinc/52/62/71/1353526271.db2.gz IWKFEBGKFRTCRV-YLJYHZDGSA-N 1 2 344.503 3.431 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(-c3cnco3)c2)C1 ZINC001080706536 1357723741 /nfs/dbraw/zinc/72/37/41/1357723741.db2.gz ZFPUGJADPDSSMC-MLGOLLRUSA-N 1 2 345.830 3.144 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(-c3cnco3)c2)C1 ZINC001080706536 1357723744 /nfs/dbraw/zinc/72/37/44/1357723744.db2.gz ZFPUGJADPDSSMC-MLGOLLRUSA-N 1 2 345.830 3.144 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)C(C)(CC)CC)C[C@H](C)O2 ZINC001071244079 1354523519 /nfs/dbraw/zinc/52/35/19/1354523519.db2.gz PBMJEYQLKSEAAI-MAUKXSAKSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C(C)(CC)CC)C[C@H](C)O2 ZINC001071244079 1354523521 /nfs/dbraw/zinc/52/35/21/1354523521.db2.gz PBMJEYQLKSEAAI-MAUKXSAKSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)CC2CCCC2)CC[C@@H]1C ZINC001071321054 1354585546 /nfs/dbraw/zinc/58/55/46/1354585546.db2.gz CGPSEXPETIKZCP-DZGCQCFKSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)CC2CCCC2)CC[C@@H]1C ZINC001071321054 1354585544 /nfs/dbraw/zinc/58/55/44/1354585544.db2.gz CGPSEXPETIKZCP-DZGCQCFKSA-N 1 2 343.309 3.444 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC#Cc3ccccc3)C2)o1 ZINC001071333123 1354598181 /nfs/dbraw/zinc/59/81/81/1354598181.db2.gz XNNYLYYFTSINEH-LPHOPBHVSA-N 1 2 336.435 3.222 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC#Cc3ccccc3)C2)o1 ZINC001071333123 1354598185 /nfs/dbraw/zinc/59/81/85/1354598185.db2.gz XNNYLYYFTSINEH-LPHOPBHVSA-N 1 2 336.435 3.222 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)c2ccccc2O)C[N@@H+]1Cc1ccccc1C#N ZINC001071356276 1354625693 /nfs/dbraw/zinc/62/56/93/1354625693.db2.gz JRSJJJHHSIQRMP-MAUKXSAKSA-N 1 2 349.434 3.047 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)c2ccccc2O)C[N@H+]1Cc1ccccc1C#N ZINC001071356276 1354625694 /nfs/dbraw/zinc/62/56/94/1354625694.db2.gz JRSJJJHHSIQRMP-MAUKXSAKSA-N 1 2 349.434 3.047 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2[nH]cnc2C(C)(C)C)CC[C@@H]1C ZINC001071519082 1354740195 /nfs/dbraw/zinc/74/01/95/1354740195.db2.gz VEHKXUMRPRBLMX-STQMWFEESA-N 1 2 338.883 3.042 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2[nH]cnc2C(C)(C)C)CC[C@@H]1C ZINC001071519082 1354740198 /nfs/dbraw/zinc/74/01/98/1354740198.db2.gz VEHKXUMRPRBLMX-STQMWFEESA-N 1 2 338.883 3.042 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccnc(CCC)c2)CC[C@@H]1C ZINC001071589130 1354781155 /nfs/dbraw/zinc/78/11/55/1354781155.db2.gz PQLLASRLFMCJIO-YOEHRIQHSA-N 1 2 335.879 3.369 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccnc(CCC)c2)CC[C@@H]1C ZINC001071589130 1354781156 /nfs/dbraw/zinc/78/11/56/1354781156.db2.gz PQLLASRLFMCJIO-YOEHRIQHSA-N 1 2 335.879 3.369 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2nc(C)sc2C)CC[C@@H]1C ZINC001071608740 1354793806 /nfs/dbraw/zinc/79/38/06/1354793806.db2.gz DVCAPJHXJCADQF-FZMZJTMJSA-N 1 2 341.908 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2nc(C)sc2C)CC[C@@H]1C ZINC001071608740 1354793808 /nfs/dbraw/zinc/79/38/08/1354793808.db2.gz DVCAPJHXJCADQF-FZMZJTMJSA-N 1 2 341.908 3.024 20 30 EGEDLO Cc1coc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001071749566 1354900368 /nfs/dbraw/zinc/90/03/68/1354900368.db2.gz WLMBQDDIZZFTPA-CRAIPNDOSA-N 1 2 337.423 3.243 20 30 EGEDLO Cc1coc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001071749566 1354900374 /nfs/dbraw/zinc/90/03/74/1354900374.db2.gz WLMBQDDIZZFTPA-CRAIPNDOSA-N 1 2 337.423 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2ccc(F)c(F)c2)CC[C@@H]1C ZINC001071775880 1354922604 /nfs/dbraw/zinc/92/26/04/1354922604.db2.gz JJEMVOHFVHQOMJ-JSGCOSHPSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2ccc(F)c(F)c2)CC[C@@H]1C ZINC001071775880 1354922611 /nfs/dbraw/zinc/92/26/11/1354922611.db2.gz JJEMVOHFVHQOMJ-JSGCOSHPSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3ncc(CC)o3)C2)CC1 ZINC001071789414 1354936040 /nfs/dbraw/zinc/93/60/40/1354936040.db2.gz TYUQNCMNCAVIBA-WBVHZDCISA-N 1 2 345.487 3.453 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3ncc(CC)o3)C2)CC1 ZINC001071789414 1354936045 /nfs/dbraw/zinc/93/60/45/1354936045.db2.gz TYUQNCMNCAVIBA-WBVHZDCISA-N 1 2 345.487 3.453 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3snnc3C)C2)CC1 ZINC001071796196 1354941869 /nfs/dbraw/zinc/94/18/69/1354941869.db2.gz QJOMRDNELNFPTO-CJNGLKHVSA-N 1 2 348.516 3.062 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3snnc3C)C2)CC1 ZINC001071796196 1354941874 /nfs/dbraw/zinc/94/18/74/1354941874.db2.gz QJOMRDNELNFPTO-CJNGLKHVSA-N 1 2 348.516 3.062 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2Cc3ccccc3C2)CC[C@@H]1C ZINC001071847568 1354977575 /nfs/dbraw/zinc/97/75/75/1354977575.db2.gz LSNFSSJLOGBGFQ-KBXCAEBGSA-N 1 2 332.875 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2Cc3ccccc3C2)CC[C@@H]1C ZINC001071847568 1354977579 /nfs/dbraw/zinc/97/75/79/1354977579.db2.gz LSNFSSJLOGBGFQ-KBXCAEBGSA-N 1 2 332.875 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc(Cl)cn2)CC[C@H]1C ZINC001072009312 1355073768 /nfs/dbraw/zinc/07/37/68/1355073768.db2.gz UOXDRTBRWZPBQW-DGCLKSJQSA-N 1 2 328.243 3.070 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc(Cl)cn2)CC[C@H]1C ZINC001072009312 1355073765 /nfs/dbraw/zinc/07/37/65/1355073765.db2.gz UOXDRTBRWZPBQW-DGCLKSJQSA-N 1 2 328.243 3.070 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1coc(CC)n1 ZINC001089630716 1360547919 /nfs/dbraw/zinc/54/79/19/1360547919.db2.gz VFVNGCYBMWLNFA-ZDUSSCGKSA-N 1 2 339.867 3.210 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1coc(CC)n1 ZINC001089630716 1360547922 /nfs/dbraw/zinc/54/79/22/1360547922.db2.gz VFVNGCYBMWLNFA-ZDUSSCGKSA-N 1 2 339.867 3.210 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc(OCC)cc2)CC[C@@H]1C ZINC001072037457 1355095164 /nfs/dbraw/zinc/09/51/64/1355095164.db2.gz PAOFGHZRAAKIKE-HOCLYGCPSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc(OCC)cc2)CC[C@@H]1C ZINC001072037457 1355095167 /nfs/dbraw/zinc/09/51/67/1355095167.db2.gz PAOFGHZRAAKIKE-HOCLYGCPSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001073905103 1355949872 /nfs/dbraw/zinc/94/98/72/1355949872.db2.gz VPRXKVPPHIGZPY-HOTGVXAUSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001073905103 1355949876 /nfs/dbraw/zinc/94/98/76/1355949876.db2.gz VPRXKVPPHIGZPY-HOTGVXAUSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(CCC)cc3)C[C@@H]21 ZINC001074326318 1356170525 /nfs/dbraw/zinc/17/05/25/1356170525.db2.gz CRNFKKIPUINXOT-VQTJNVASSA-N 1 2 342.483 3.131 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(CCC)cc3)C[C@@H]21 ZINC001074326318 1356170527 /nfs/dbraw/zinc/17/05/27/1356170527.db2.gz CRNFKKIPUINXOT-VQTJNVASSA-N 1 2 342.483 3.131 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C)cc3Cl)C[C@H]21 ZINC001074340011 1356175059 /nfs/dbraw/zinc/17/50/59/1356175059.db2.gz FVEPLSZDRDKAKY-MSOLQXFVSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C)cc3Cl)C[C@H]21 ZINC001074340011 1356175060 /nfs/dbraw/zinc/17/50/60/1356175060.db2.gz FVEPLSZDRDKAKY-MSOLQXFVSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C3(C4CCCCC4)CC3)C[C@H]21 ZINC001074392751 1356192170 /nfs/dbraw/zinc/19/21/70/1356192170.db2.gz OUDXAUPKZUVDKZ-MOPGFXCFSA-N 1 2 346.515 3.225 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C3(C4CCCCC4)CC3)C[C@H]21 ZINC001074392751 1356192174 /nfs/dbraw/zinc/19/21/74/1356192174.db2.gz OUDXAUPKZUVDKZ-MOPGFXCFSA-N 1 2 346.515 3.225 20 30 EGEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(CC)c(C)s3)C[C@H]21 ZINC001074397339 1356192815 /nfs/dbraw/zinc/19/28/15/1356192815.db2.gz GPCDEHDXUVQMSJ-SJORKVTESA-N 1 2 348.512 3.110 20 30 EGEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(CC)c(C)s3)C[C@H]21 ZINC001074397339 1356192818 /nfs/dbraw/zinc/19/28/18/1356192818.db2.gz GPCDEHDXUVQMSJ-SJORKVTESA-N 1 2 348.512 3.110 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)cc(C)cc3C)C[C@H]21 ZINC001074399752 1356194337 /nfs/dbraw/zinc/19/43/37/1356194337.db2.gz JMFLMFAHUKHHGF-RTBURBONSA-N 1 2 342.483 3.103 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)cc(C)cc3C)C[C@H]21 ZINC001074399752 1356194341 /nfs/dbraw/zinc/19/43/41/1356194341.db2.gz JMFLMFAHUKHHGF-RTBURBONSA-N 1 2 342.483 3.103 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001098088658 1363219250 /nfs/dbraw/zinc/21/92/50/1363219250.db2.gz CMFWSHLPDZFZFK-CYBMUJFWSA-N 1 2 330.476 3.183 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C34CC(C(C)(C)C)(C3)C4)[C@@H]2C1 ZINC001076621917 1356635560 /nfs/dbraw/zinc/63/55/60/1356635560.db2.gz MUTDNYCAFHQANK-WINGESFGSA-N 1 2 336.907 3.488 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C34CC(C(C)(C)C)(C3)C4)[C@@H]2C1 ZINC001076621917 1356635561 /nfs/dbraw/zinc/63/55/61/1356635561.db2.gz MUTDNYCAFHQANK-WINGESFGSA-N 1 2 336.907 3.488 20 30 EGEDLO C#CCOCC[N@@H+](C)Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC001323094313 1387288204 /nfs/dbraw/zinc/28/82/04/1387288204.db2.gz UVFUUDVHSVPHFU-UHFFFAOYSA-N 1 2 340.210 3.125 20 30 EGEDLO C#CCOCC[N@H+](C)Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC001323094313 1387288206 /nfs/dbraw/zinc/28/82/06/1387288206.db2.gz UVFUUDVHSVPHFU-UHFFFAOYSA-N 1 2 340.210 3.125 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CCC=CCC2)C1 ZINC001080956942 1357768542 /nfs/dbraw/zinc/76/85/42/1357768542.db2.gz MWAWEQGCYBZQLY-IUODEOHRSA-N 1 2 341.293 3.078 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CCC=CCC2)C1 ZINC001080956942 1357768546 /nfs/dbraw/zinc/76/85/46/1357768546.db2.gz MWAWEQGCYBZQLY-IUODEOHRSA-N 1 2 341.293 3.078 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001081026243 1357785575 /nfs/dbraw/zinc/78/55/75/1357785575.db2.gz VNQAXEBQWZJCJA-GLZXHMCRSA-N 1 2 336.838 3.118 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001081026243 1357785577 /nfs/dbraw/zinc/78/55/77/1357785577.db2.gz VNQAXEBQWZJCJA-GLZXHMCRSA-N 1 2 336.838 3.118 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccsc4)[C@@H]3C2)s1 ZINC001084175786 1358154794 /nfs/dbraw/zinc/15/47/94/1358154794.db2.gz XGANWEVUNBIMCK-MLGOLLRUSA-N 1 2 343.477 3.028 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccsc4)[C@@H]3C2)s1 ZINC001084175786 1358154795 /nfs/dbraw/zinc/15/47/95/1358154795.db2.gz XGANWEVUNBIMCK-MLGOLLRUSA-N 1 2 343.477 3.028 20 30 EGEDLO CCc1occc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084317457 1358191047 /nfs/dbraw/zinc/19/10/47/1358191047.db2.gz MBDKHUXSDIOFON-UYAOXDASSA-N 1 2 348.446 3.040 20 30 EGEDLO CCc1occc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084317457 1358191049 /nfs/dbraw/zinc/19/10/49/1358191049.db2.gz MBDKHUXSDIOFON-UYAOXDASSA-N 1 2 348.446 3.040 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(OCCC)c3)[C@@H]2C1 ZINC001084384792 1358205951 /nfs/dbraw/zinc/20/59/51/1358205951.db2.gz OWARDPVICAPMOD-SJLPKXTDSA-N 1 2 348.874 3.374 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(OCCC)c3)[C@@H]2C1 ZINC001084384792 1358205952 /nfs/dbraw/zinc/20/59/52/1358205952.db2.gz OWARDPVICAPMOD-SJLPKXTDSA-N 1 2 348.874 3.374 20 30 EGEDLO C=CCOc1ccccc1C(=O)N1C[C@H]2CC[N@@H+](CC(=C)Cl)C[C@H]21 ZINC001084459891 1358219736 /nfs/dbraw/zinc/21/97/36/1358219736.db2.gz ASEQOZCKLBJJGN-NVXWUHKLSA-N 1 2 346.858 3.150 20 30 EGEDLO C=CCOc1ccccc1C(=O)N1C[C@H]2CC[N@H+](CC(=C)Cl)C[C@H]21 ZINC001084459891 1358219739 /nfs/dbraw/zinc/21/97/39/1358219739.db2.gz ASEQOZCKLBJJGN-NVXWUHKLSA-N 1 2 346.858 3.150 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3ccc(F)cc3)[C@@H]2C1 ZINC001084491276 1358224238 /nfs/dbraw/zinc/22/42/38/1358224238.db2.gz GYKYOYIVPLUFLC-NVXWUHKLSA-N 1 2 336.838 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3ccc(F)cc3)[C@@H]2C1 ZINC001084491276 1358224241 /nfs/dbraw/zinc/22/42/41/1358224241.db2.gz GYKYOYIVPLUFLC-NVXWUHKLSA-N 1 2 336.838 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4ncccc43)[C@@H]2C1 ZINC001084559910 1358238713 /nfs/dbraw/zinc/23/87/13/1358238713.db2.gz YMQSZEIWKWPHOK-RDTXWAMCSA-N 1 2 341.842 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4ncccc43)[C@@H]2C1 ZINC001084559910 1358238717 /nfs/dbraw/zinc/23/87/17/1358238717.db2.gz YMQSZEIWKWPHOK-RDTXWAMCSA-N 1 2 341.842 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Cc3cccs3)[C@@H]2C1 ZINC001084694720 1358282959 /nfs/dbraw/zinc/28/29/59/1358282959.db2.gz QEIPSZNBNKFVQY-XNRPHZJLSA-N 1 2 338.904 3.212 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Cc3cccs3)[C@@H]2C1 ZINC001084694720 1358282961 /nfs/dbraw/zinc/28/29/61/1358282961.db2.gz QEIPSZNBNKFVQY-XNRPHZJLSA-N 1 2 338.904 3.212 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4cccnc4c3)[C@@H]2C1 ZINC001084728237 1358293900 /nfs/dbraw/zinc/29/39/00/1358293900.db2.gz RDBGRDZCXIWKBF-SJLPKXTDSA-N 1 2 341.842 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4cccnc4c3)[C@@H]2C1 ZINC001084728237 1358293911 /nfs/dbraw/zinc/29/39/11/1358293911.db2.gz RDBGRDZCXIWKBF-SJLPKXTDSA-N 1 2 341.842 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4cnccc4c3)[C@@H]2C1 ZINC001084757897 1358302348 /nfs/dbraw/zinc/30/23/48/1358302348.db2.gz TUYHMYIIPFVBBW-QZTJIDSGSA-N 1 2 341.842 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4cnccc4c3)[C@@H]2C1 ZINC001084757897 1358302351 /nfs/dbraw/zinc/30/23/51/1358302351.db2.gz TUYHMYIIPFVBBW-QZTJIDSGSA-N 1 2 341.842 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccccc3)[C@@H]2C1 ZINC001084785943 1358308659 /nfs/dbraw/zinc/30/86/59/1358308659.db2.gz MUXARCTZUJMZCM-XMTFNYHQSA-N 1 2 330.859 3.075 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccccc3)[C@@H]2C1 ZINC001084785943 1358308665 /nfs/dbraw/zinc/30/86/65/1358308665.db2.gz MUXARCTZUJMZCM-XMTFNYHQSA-N 1 2 330.859 3.075 20 30 EGEDLO CC(C)(C#N)c1ccc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)cn1 ZINC001183748001 1387341677 /nfs/dbraw/zinc/34/16/77/1387341677.db2.gz MJNSWJZYDQKAGA-QGZVFWFLSA-N 1 2 334.423 3.096 20 30 EGEDLO CC(C)(C#N)c1ccc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)cn1 ZINC001183748001 1387341680 /nfs/dbraw/zinc/34/16/80/1387341680.db2.gz MJNSWJZYDQKAGA-QGZVFWFLSA-N 1 2 334.423 3.096 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F)C(=O)C1CC(C)(C)C1 ZINC001085578584 1358608131 /nfs/dbraw/zinc/60/81/31/1358608131.db2.gz RMJQOGLPMKHORI-KRWDZBQOSA-N 1 2 343.446 3.166 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1F)C(=O)C1CC(C)(C)C1 ZINC001085578584 1358608137 /nfs/dbraw/zinc/60/81/37/1358608137.db2.gz RMJQOGLPMKHORI-KRWDZBQOSA-N 1 2 343.446 3.166 20 30 EGEDLO C=CCOc1ccccc1C(=O)N(C)C[C@H]1CC[N@H+]1C[C@H](F)CC ZINC001085678401 1358681995 /nfs/dbraw/zinc/68/19/95/1358681995.db2.gz IVPQHIWJHHWRMF-HZPDHXFCSA-N 1 2 334.435 3.146 20 30 EGEDLO C=CCOc1ccccc1C(=O)N(C)C[C@H]1CC[N@@H+]1C[C@H](F)CC ZINC001085678401 1358681998 /nfs/dbraw/zinc/68/19/98/1358681998.db2.gz IVPQHIWJHHWRMF-HZPDHXFCSA-N 1 2 334.435 3.146 20 30 EGEDLO CCC(CC)CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183829060 1387355321 /nfs/dbraw/zinc/35/53/21/1387355321.db2.gz GVRWPBDGHOTPSG-LJQANCHMSA-N 1 2 327.472 3.465 20 30 EGEDLO CCC(CC)CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183829060 1387355327 /nfs/dbraw/zinc/35/53/27/1387355327.db2.gz GVRWPBDGHOTPSG-LJQANCHMSA-N 1 2 327.472 3.465 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)NC1(CC2CC2)CC1 ZINC001183840931 1387357979 /nfs/dbraw/zinc/35/79/79/1387357979.db2.gz JZRKROPJKNVTTM-LJQANCHMSA-N 1 2 337.467 3.362 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)NC1(CC2CC2)CC1 ZINC001183840931 1387357986 /nfs/dbraw/zinc/35/79/86/1387357986.db2.gz JZRKROPJKNVTTM-LJQANCHMSA-N 1 2 337.467 3.362 20 30 EGEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1ncc(Br)s1 ZINC001323544198 1387384993 /nfs/dbraw/zinc/38/49/93/1387384993.db2.gz FVQVHQKGFRCDNR-WAYWQWQTSA-N 1 2 338.230 3.263 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc[nH]c2)C1 ZINC001087428768 1359461737 /nfs/dbraw/zinc/46/17/37/1359461737.db2.gz XNCXCNDNEZSDMM-QZTJIDSGSA-N 1 2 343.858 3.355 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc[nH]c2)C1 ZINC001087428768 1359461739 /nfs/dbraw/zinc/46/17/39/1359461739.db2.gz XNCXCNDNEZSDMM-QZTJIDSGSA-N 1 2 343.858 3.355 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)CC2CCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087530354 1359512485 /nfs/dbraw/zinc/51/24/85/1359512485.db2.gz WKTSIHUQNIADOE-RBUKOAKNSA-N 1 2 343.446 3.357 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)CC2CCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087530354 1359512489 /nfs/dbraw/zinc/51/24/89/1359512489.db2.gz WKTSIHUQNIADOE-RBUKOAKNSA-N 1 2 343.446 3.357 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H](C)C2CCC2)[C@H]1CC ZINC001087619827 1359558085 /nfs/dbraw/zinc/55/80/85/1359558085.db2.gz GWWFJKCFGWLPKK-VHDGCEQUSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)C2CCC2)[C@H]1CC ZINC001087619827 1359558089 /nfs/dbraw/zinc/55/80/89/1359558089.db2.gz GWWFJKCFGWLPKK-VHDGCEQUSA-N 1 2 343.309 3.300 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C2CCC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088441404 1359906354 /nfs/dbraw/zinc/90/63/54/1359906354.db2.gz CABSXXZJXXKXJU-KDOFPFPSSA-N 1 2 330.859 3.071 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C2CCC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088441404 1359906356 /nfs/dbraw/zinc/90/63/56/1359906356.db2.gz CABSXXZJXXKXJU-KDOFPFPSSA-N 1 2 330.859 3.071 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(F)c(F)c(F)c2)[C@H]1C ZINC001088874591 1360081898 /nfs/dbraw/zinc/08/18/98/1360081898.db2.gz NEYMQGXWWYAEHA-RNCFNFMXSA-N 1 2 332.753 3.049 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(F)c(F)c(F)c2)[C@H]1C ZINC001088874591 1360081902 /nfs/dbraw/zinc/08/19/02/1360081902.db2.gz NEYMQGXWWYAEHA-RNCFNFMXSA-N 1 2 332.753 3.049 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2cc(C)c3ccccc32)[C@H]1C ZINC001088915017 1360101959 /nfs/dbraw/zinc/10/19/59/1360101959.db2.gz FHRRZTBBXGENMV-WBVHZDCISA-N 1 2 345.874 3.281 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2cc(C)c3ccccc32)[C@H]1C ZINC001088915017 1360101963 /nfs/dbraw/zinc/10/19/63/1360101963.db2.gz FHRRZTBBXGENMV-WBVHZDCISA-N 1 2 345.874 3.281 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2sc(C)cc2C)[C@H]1C ZINC001089011014 1360135660 /nfs/dbraw/zinc/13/56/60/1360135660.db2.gz FYPZAZXCCUQLKL-KGLIPLIRSA-N 1 2 326.893 3.239 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2sc(C)cc2C)[C@H]1C ZINC001089011014 1360135662 /nfs/dbraw/zinc/13/56/62/1360135662.db2.gz FYPZAZXCCUQLKL-KGLIPLIRSA-N 1 2 326.893 3.239 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CC[C@H](C)N(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001089162329 1360218638 /nfs/dbraw/zinc/21/86/38/1360218638.db2.gz OVENPSMWYIVPKP-DOTOQJQBSA-N 1 2 342.487 3.492 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089162693 1360219258 /nfs/dbraw/zinc/21/92/58/1360219258.db2.gz SBTQNJLXQGWORZ-RDTXWAMCSA-N 1 2 342.487 3.069 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H](C)[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001089184550 1360234613 /nfs/dbraw/zinc/23/46/13/1360234613.db2.gz SJIHKXIDNCYJAW-MAUKXSAKSA-N 1 2 342.487 3.450 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1conc1CC ZINC001089691439 1360597079 /nfs/dbraw/zinc/59/70/79/1360597079.db2.gz PTDFEGWJYMPSMJ-ZDUSSCGKSA-N 1 2 339.867 3.210 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1conc1CC ZINC001089691439 1360597081 /nfs/dbraw/zinc/59/70/81/1360597081.db2.gz PTDFEGWJYMPSMJ-ZDUSSCGKSA-N 1 2 339.867 3.210 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC(=C)Cl)nc1 ZINC001089722901 1360625790 /nfs/dbraw/zinc/62/57/90/1360625790.db2.gz FVQKSSKLKHCDPN-INIZCTEOSA-N 1 2 345.874 3.036 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC(=C)Cl)nc1 ZINC001089722901 1360625793 /nfs/dbraw/zinc/62/57/93/1360625793.db2.gz FVQKSSKLKHCDPN-INIZCTEOSA-N 1 2 345.874 3.036 20 30 EGEDLO C#CCCCC(=O)NCCC1(CNc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001089936461 1360752668 /nfs/dbraw/zinc/75/26/68/1360752668.db2.gz CLSSZZREXBIUOR-UHFFFAOYSA-N 1 2 340.471 3.164 20 30 EGEDLO C#CCCCCC(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001090972209 1360964931 /nfs/dbraw/zinc/96/49/31/1360964931.db2.gz MJVXQBWHBIMWOZ-NVXWUHKLSA-N 1 2 342.487 3.361 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)[C@H]2C1 ZINC001091221096 1361012744 /nfs/dbraw/zinc/01/27/44/1361012744.db2.gz GXQZPHKIXULGEM-ROUUACIJSA-N 1 2 342.487 3.185 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CCCC[C@H]1Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001091252261 1361022108 /nfs/dbraw/zinc/02/21/08/1361022108.db2.gz SQELICWJULQLDU-IAGOWNOFSA-N 1 2 340.471 3.305 20 30 EGEDLO Cc1nc(NCC[C@H]2[C@@H](C)CCCN2C(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001091657903 1361172669 /nfs/dbraw/zinc/17/26/69/1361172669.db2.gz HXWVNMCGTISYKX-RDJZCZTQSA-N 1 2 342.487 3.264 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CCC[C@H](C)C3)CC2)C1 ZINC001093565163 1361643919 /nfs/dbraw/zinc/64/39/19/1361643919.db2.gz JUQNRLNGMZLOIZ-IRXDYDNUSA-N 1 2 334.504 3.081 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3ccc(CCC)cc3)CC2)C1 ZINC001093566399 1361644736 /nfs/dbraw/zinc/64/47/36/1361644736.db2.gz UIGARCGCGOTTOJ-UHFFFAOYSA-N 1 2 342.483 3.131 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@]3(C)CCC[C@@H]3C)CC2)C1 ZINC001093569692 1361645608 /nfs/dbraw/zinc/64/56/08/1361645608.db2.gz HPENTHGXMDZQCI-OXJNMPFZSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)NCCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001094684785 1361894577 /nfs/dbraw/zinc/89/45/77/1361894577.db2.gz ZURFXEQZZSBGDY-LJQANCHMSA-N 1 2 348.491 3.055 20 30 EGEDLO C#CCCCCCC(=O)NCCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001094725752 1361901097 /nfs/dbraw/zinc/90/10/97/1361901097.db2.gz FCWBPWUKANJTDR-UHFFFAOYSA-N 1 2 330.476 3.410 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1F)C2 ZINC001095112862 1362016866 /nfs/dbraw/zinc/01/68/66/1362016866.db2.gz VDPVZCFNWLQXFX-UXPWSPDFSA-N 1 2 349.409 3.233 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1F)C2 ZINC001095112862 1362016867 /nfs/dbraw/zinc/01/68/67/1362016867.db2.gz VDPVZCFNWLQXFX-UXPWSPDFSA-N 1 2 349.409 3.233 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H](N(C)c3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001095124690 1362022113 /nfs/dbraw/zinc/02/21/13/1362022113.db2.gz WHBHUEIDLMGSFF-QGZVFWFLSA-N 1 2 342.487 3.349 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H](N(C)c3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001095124687 1362022172 /nfs/dbraw/zinc/02/21/72/1362022172.db2.gz WHBHUEIDLMGSFF-KRWDZBQOSA-N 1 2 342.487 3.349 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095157568 1362036261 /nfs/dbraw/zinc/03/62/61/1362036261.db2.gz VWCZJLWNSBFWIW-MRXNPFEDSA-N 1 2 342.487 3.302 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001095202701 1362051961 /nfs/dbraw/zinc/05/19/61/1362051961.db2.gz SGZFPAMNSZYYBL-NVXWUHKLSA-N 1 2 344.503 3.405 20 30 EGEDLO C=CCCC1(C(=O)N2CCCN(c3nc(C)[nH+]c(C)c3C)CC2)CC1 ZINC001095205520 1362052769 /nfs/dbraw/zinc/05/27/69/1362052769.db2.gz DWIGDUVINAHSFQ-UHFFFAOYSA-N 1 2 342.487 3.187 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001095281436 1362082044 /nfs/dbraw/zinc/08/20/44/1362082044.db2.gz VQLFVKFEUMDMHA-HNNXBMFYSA-N 1 2 328.460 3.033 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NC1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095442999 1362142598 /nfs/dbraw/zinc/14/25/98/1362142598.db2.gz SWQKKBUXMDBKLW-ZFWWWQNUSA-N 1 2 342.487 3.206 20 30 EGEDLO CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(Cl)cc2)CC1 ZINC001095449922 1362144931 /nfs/dbraw/zinc/14/49/31/1362144931.db2.gz GJYBJUNKDHUXRV-SQNIBIBYSA-N 1 2 342.870 3.213 20 30 EGEDLO CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(Cl)cc2)CC1 ZINC001095449922 1362144933 /nfs/dbraw/zinc/14/49/33/1362144933.db2.gz GJYBJUNKDHUXRV-SQNIBIBYSA-N 1 2 342.870 3.213 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3cc(F)ccc3[nH]1)C2 ZINC001095847981 1362253434 /nfs/dbraw/zinc/25/34/34/1362253434.db2.gz YGLGVZIZJAMGNV-KMFMINBZSA-N 1 2 347.821 3.395 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3cc(F)ccc3[nH]1)C2 ZINC001095847981 1362253435 /nfs/dbraw/zinc/25/34/35/1362253435.db2.gz YGLGVZIZJAMGNV-KMFMINBZSA-N 1 2 347.821 3.395 20 30 EGEDLO C=C[C@@H](C(=O)NCCCN(CC)c1cc[nH+]c(C)n1)c1ccccc1 ZINC001095886624 1362270433 /nfs/dbraw/zinc/27/04/33/1362270433.db2.gz DMGIXXKUEJIQOH-GOSISDBHSA-N 1 2 338.455 3.087 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCCCN(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001095947389 1362299977 /nfs/dbraw/zinc/29/99/77/1362299977.db2.gz LDZRCBFOATXFIB-HOCLYGCPSA-N 1 2 344.503 3.453 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001095981574 1362321422 /nfs/dbraw/zinc/32/14/22/1362321422.db2.gz DQGPHDVRPPKODG-SBUWESJJSA-N 1 2 337.467 3.216 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001095981574 1362321423 /nfs/dbraw/zinc/32/14/23/1362321423.db2.gz DQGPHDVRPPKODG-SBUWESJJSA-N 1 2 337.467 3.216 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccnc(Cl)c2)C1 ZINC001095983298 1362321724 /nfs/dbraw/zinc/32/17/24/1362321724.db2.gz VVJWVFLYZOVMMP-PMPSAXMXSA-N 1 2 345.874 3.313 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccnc(Cl)c2)C1 ZINC001095983298 1362321729 /nfs/dbraw/zinc/32/17/29/1362321729.db2.gz VVJWVFLYZOVMMP-PMPSAXMXSA-N 1 2 345.874 3.313 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001096233637 1362446206 /nfs/dbraw/zinc/44/62/06/1362446206.db2.gz YOHUOEHMXPSWMF-VQIMIIECSA-N 1 2 330.476 3.089 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096434649 1362510992 /nfs/dbraw/zinc/51/09/92/1362510992.db2.gz ZHUBSMIGKCRSCS-HNNXBMFYSA-N 1 2 330.476 3.206 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096436522 1362511935 /nfs/dbraw/zinc/51/19/35/1362511935.db2.gz USCYCRSLGUFJID-CQSZACIVSA-N 1 2 348.878 3.136 20 30 EGEDLO CC#CCCCC(=O)N(CCC)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001096549183 1362574922 /nfs/dbraw/zinc/57/49/22/1362574922.db2.gz QHESEPJFQXLLGX-UHFFFAOYSA-N 1 2 342.487 3.186 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)o1 ZINC001096766455 1362694118 /nfs/dbraw/zinc/69/41/18/1362694118.db2.gz WQLSUDBXYDIAJQ-WQVCFCJDSA-N 1 2 341.436 3.057 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)o1 ZINC001096766455 1362694121 /nfs/dbraw/zinc/69/41/21/1362694121.db2.gz WQLSUDBXYDIAJQ-WQVCFCJDSA-N 1 2 341.436 3.057 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@H]1CCCCN1c1nc(C)[nH+]c(C)c1C ZINC001097451508 1362997788 /nfs/dbraw/zinc/99/77/88/1362997788.db2.gz ISYDRFGRWKJRHM-QZTJIDSGSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001098243655 1363267101 /nfs/dbraw/zinc/26/71/01/1363267101.db2.gz BXEFYXCZMNZSFD-CQSZACIVSA-N 1 2 328.460 3.325 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(C)c(C)c1)C2 ZINC001098334799 1363301689 /nfs/dbraw/zinc/30/16/89/1363301689.db2.gz VGANCPGLUYLCNS-KURKYZTESA-N 1 2 332.875 3.320 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(C)c(C)c1)C2 ZINC001098334799 1363301693 /nfs/dbraw/zinc/30/16/93/1363301693.db2.gz VGANCPGLUYLCNS-KURKYZTESA-N 1 2 332.875 3.320 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CCC(OC)CC1)C2 ZINC001098511469 1363348045 /nfs/dbraw/zinc/34/80/45/1363348045.db2.gz VBNQJALBSQAFAD-AEFXTWNNSA-N 1 2 340.895 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CCC(OC)CC1)C2 ZINC001098511469 1363348050 /nfs/dbraw/zinc/34/80/50/1363348050.db2.gz VBNQJALBSQAFAD-AEFXTWNNSA-N 1 2 340.895 3.056 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001098605378 1363395615 /nfs/dbraw/zinc/39/56/15/1363395615.db2.gz FSBMXDZLVOUUNB-CVEARBPZSA-N 1 2 328.460 3.468 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)NCC[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001098904859 1363514033 /nfs/dbraw/zinc/51/40/33/1363514033.db2.gz GDILJEBOVKRSFZ-HOCLYGCPSA-N 1 2 348.491 3.196 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1cccc(Cl)n1 ZINC001098975630 1363550703 /nfs/dbraw/zinc/55/07/03/1363550703.db2.gz KHYOJLQNKJIMTM-DZGCQCFKSA-N 1 2 348.878 3.001 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1cccc(Cl)n1 ZINC001098975630 1363550706 /nfs/dbraw/zinc/55/07/06/1363550706.db2.gz KHYOJLQNKJIMTM-DZGCQCFKSA-N 1 2 348.878 3.001 20 30 EGEDLO C=C(Br)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)/C(C)=C\C ZINC001099000519 1363564409 /nfs/dbraw/zinc/56/44/09/1363564409.db2.gz KXVULWCKGTXKOB-NFEOESJKSA-N 1 2 343.309 3.468 20 30 EGEDLO C=C(Br)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)/C(C)=C\C ZINC001099000519 1363564407 /nfs/dbraw/zinc/56/44/07/1363564407.db2.gz KXVULWCKGTXKOB-NFEOESJKSA-N 1 2 343.309 3.468 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)SC ZINC001099023343 1363580647 /nfs/dbraw/zinc/58/06/47/1363580647.db2.gz MWVPPRGSUWQTAA-UONOGXRCSA-N 1 2 332.941 3.487 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)SC ZINC001099023343 1363580648 /nfs/dbraw/zinc/58/06/48/1363580648.db2.gz MWVPPRGSUWQTAA-UONOGXRCSA-N 1 2 332.941 3.487 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccon1 ZINC001099215265 1363696199 /nfs/dbraw/zinc/69/61/99/1363696199.db2.gz RJDHRXRYSORTGA-APWZRJJASA-N 1 2 333.476 3.384 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccon1 ZINC001099215265 1363696201 /nfs/dbraw/zinc/69/62/01/1363696201.db2.gz RJDHRXRYSORTGA-APWZRJJASA-N 1 2 333.476 3.384 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2Cc2cc(C)on2)C1 ZINC001099229215 1363702427 /nfs/dbraw/zinc/70/24/27/1363702427.db2.gz HRSXCPLMACNOJA-QGZVFWFLSA-N 1 2 345.487 3.446 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2Cc2cc(C)on2)C1 ZINC001099229215 1363702430 /nfs/dbraw/zinc/70/24/30/1363702430.db2.gz HRSXCPLMACNOJA-QGZVFWFLSA-N 1 2 345.487 3.446 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(CF)CCC1 ZINC001099245170 1363711295 /nfs/dbraw/zinc/71/12/95/1363711295.db2.gz HHBJUCLQFHQGTC-CQSZACIVSA-N 1 2 330.875 3.486 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(CF)CCC1 ZINC001099245170 1363711302 /nfs/dbraw/zinc/71/13/02/1363711302.db2.gz HHBJUCLQFHQGTC-CQSZACIVSA-N 1 2 330.875 3.486 20 30 EGEDLO C#CCC1(C(=O)NCC[C@@H](C)Nc2cc(C)[nH+]c(C(C)C)n2)CCC1 ZINC001099558794 1363847396 /nfs/dbraw/zinc/84/73/96/1363847396.db2.gz MCODLTRTAGLGNN-OAHLLOKOSA-N 1 2 342.487 3.409 20 30 EGEDLO CC(C)(C)C#CC(=O)N1C[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@@]2(C)C1 ZINC001101232093 1364477338 /nfs/dbraw/zinc/47/73/38/1364477338.db2.gz IEXBXFWUWPKLEB-CMSUBENHSA-N 1 2 343.298 3.135 20 30 EGEDLO CC(C)(C)C#CC(=O)N1C[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@@]2(C)C1 ZINC001101232093 1364477339 /nfs/dbraw/zinc/47/73/39/1364477339.db2.gz IEXBXFWUWPKLEB-CMSUBENHSA-N 1 2 343.298 3.135 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@@H]1C[N@H+]([C@H](C)c2csnn2)C[C@H]1C ZINC001101997725 1364804014 /nfs/dbraw/zinc/80/40/14/1364804014.db2.gz FRXHVSJAGSYVPP-IIAWOOMASA-N 1 2 348.516 3.052 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@@H]1C[N@@H+]([C@H](C)c2csnn2)C[C@H]1C ZINC001101997725 1364804017 /nfs/dbraw/zinc/80/40/17/1364804017.db2.gz FRXHVSJAGSYVPP-IIAWOOMASA-N 1 2 348.516 3.052 20 30 EGEDLO Cc1cc(N[C@@H](CNC(=O)[C@@H](C)C#N)c2ccccc2)nc(C2CC2)[nH+]1 ZINC001102163313 1364903491 /nfs/dbraw/zinc/90/34/91/1364903491.db2.gz AQLJMTHGODTWSL-GUYCJALGSA-N 1 2 349.438 3.092 20 30 EGEDLO C#CCC1(C(=O)NC[C@H](Nc2cc[nH+]c(C)n2)c2ccccc2)CCC1 ZINC001102172847 1364912021 /nfs/dbraw/zinc/91/20/21/1364912021.db2.gz ZWOTUGVHKLIEMU-SFHVURJKSA-N 1 2 348.450 3.248 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]c(C(C)C)n1 ZINC001102202403 1364932035 /nfs/dbraw/zinc/93/20/35/1364932035.db2.gz RSWBQMNJUCHFSL-CALCHBBNSA-N 1 2 342.487 3.444 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]c(CC)n1 ZINC001102204829 1364932409 /nfs/dbraw/zinc/93/24/09/1364932409.db2.gz XTRBYFNYTKOLJK-BHYGNILZSA-N 1 2 342.487 3.129 20 30 EGEDLO C=CC(C)(C)C(=O)NCC[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102369287 1365026572 /nfs/dbraw/zinc/02/65/72/1365026572.db2.gz RHEUBDCQGBVAJQ-HNNXBMFYSA-N 1 2 342.487 3.207 20 30 EGEDLO C=CCCCC(=O)NCC[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102379641 1365031944 /nfs/dbraw/zinc/03/19/44/1365031944.db2.gz JYRDUGTWLGFGGF-KRWDZBQOSA-N 1 2 330.476 3.091 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]c(C2CC2)n1 ZINC001102569932 1365119718 /nfs/dbraw/zinc/11/97/18/1365119718.db2.gz JMDFAAJNPCQMLB-JQFCIGGWSA-N 1 2 340.471 3.054 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CCCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102875965 1365266549 /nfs/dbraw/zinc/26/65/49/1365266549.db2.gz JFCGHBHQCAKGRR-KRWDZBQOSA-N 1 2 330.476 3.233 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CCCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102883861 1365272466 /nfs/dbraw/zinc/27/24/66/1365272466.db2.gz FMLLHPRTWDQHMO-KRWDZBQOSA-N 1 2 330.476 3.233 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CCCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102885181 1365274247 /nfs/dbraw/zinc/27/42/47/1365274247.db2.gz LXFQEPDMBFQZJE-INIZCTEOSA-N 1 2 342.487 3.350 20 30 EGEDLO C#CCCCCCC(=O)NCC[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001102939800 1365304696 /nfs/dbraw/zinc/30/46/96/1365304696.db2.gz AYTMMTMJXSWIFT-GOSISDBHSA-N 1 2 342.487 3.091 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCC[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001102943583 1365307945 /nfs/dbraw/zinc/30/79/45/1365307945.db2.gz ZCBVQPINRJLZMJ-WBVHZDCISA-N 1 2 330.476 3.110 20 30 EGEDLO C=CC[C@@H](C(=O)NC[C@H](CC)Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC001103110650 1365385400 /nfs/dbraw/zinc/38/54/00/1365385400.db2.gz ACTUHXSUXQLEMK-ZWKOTPCHSA-N 1 2 338.455 3.452 20 30 EGEDLO N#CCc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)c1 ZINC001324689590 1387738410 /nfs/dbraw/zinc/73/84/10/1387738410.db2.gz FDKZQARTRDVHEX-LJQANCHMSA-N 1 2 334.423 3.141 20 30 EGEDLO N#CCc1cccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)c1 ZINC001324689590 1387738413 /nfs/dbraw/zinc/73/84/13/1387738413.db2.gz FDKZQARTRDVHEX-LJQANCHMSA-N 1 2 334.423 3.141 20 30 EGEDLO C#CCCCC(=O)N[C@@](C)(CNc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001103526054 1365612707 /nfs/dbraw/zinc/61/27/07/1365612707.db2.gz ISHSFNYVXDWFDQ-FQEVSTJZSA-N 1 2 342.487 3.409 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001103616504 1365680329 /nfs/dbraw/zinc/68/03/29/1365680329.db2.gz PZNZWSHHEKBNCO-WBVHZDCISA-N 1 2 330.476 3.428 20 30 EGEDLO C=C(C)CCC(=O)NCCC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001103692937 1365733084 /nfs/dbraw/zinc/73/30/84/1365733084.db2.gz WNOAEPYSLZOVPQ-UHFFFAOYSA-N 1 2 344.503 3.481 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001103803278 1365788870 /nfs/dbraw/zinc/78/88/70/1365788870.db2.gz MEBCHKKUGYSAKR-QGZVFWFLSA-N 1 2 340.471 3.259 20 30 EGEDLO C#CC[N@@H+](Cc1c(Br)cc(OC)cc1OC)CC1CC1 ZINC001324775009 1387767601 /nfs/dbraw/zinc/76/76/01/1387767601.db2.gz ABBIGIFGDQLMOC-UHFFFAOYSA-N 1 2 338.245 3.312 20 30 EGEDLO C#CC[N@H+](Cc1c(Br)cc(OC)cc1OC)CC1CC1 ZINC001324775009 1387767603 /nfs/dbraw/zinc/76/76/03/1387767603.db2.gz ABBIGIFGDQLMOC-UHFFFAOYSA-N 1 2 338.245 3.312 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)c2noc(C)n2)C1 ZINC001104239720 1365965912 /nfs/dbraw/zinc/96/59/12/1365965912.db2.gz MMMXSODJJIEYJY-IIAWOOMASA-N 1 2 348.491 3.116 20 30 EGEDLO Cc1cc(NC[C@H](CC(C)C)NC(=O)[C@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001104935954 1366230875 /nfs/dbraw/zinc/23/08/75/1366230875.db2.gz ZBTQQTNHXVZNEV-HIFRSBDPSA-N 1 2 331.464 3.011 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H]([C@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001105081321 1366313781 /nfs/dbraw/zinc/31/37/81/1366313781.db2.gz JICNFAHVNYUCGJ-GOEBONIOSA-N 1 2 330.476 3.426 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1cc[nH+]c(C)n1 ZINC001105098216 1366326599 /nfs/dbraw/zinc/32/65/99/1366326599.db2.gz WRUUIJRQKTYVCB-GDBMZVCRSA-N 1 2 330.476 3.426 20 30 EGEDLO C=C1CCC(C(=O)N(C)CCN(C)c2nc(C)[nH+]c(C)c2C)CC1 ZINC001105545652 1366522064 /nfs/dbraw/zinc/52/20/64/1366522064.db2.gz HEAZSYVZNVBDLE-UHFFFAOYSA-N 1 2 330.476 3.043 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCC[C@@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001105645505 1366557726 /nfs/dbraw/zinc/55/77/26/1366557726.db2.gz BHJOCFBWOBQBGX-HZPDHXFCSA-N 1 2 328.460 3.325 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N[C@@H](C)CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001106246434 1366633005 /nfs/dbraw/zinc/63/30/05/1366633005.db2.gz PEUCHQFYGWTHJG-GOEBONIOSA-N 1 2 348.491 3.196 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nc(CCCC)no2)C1 ZINC001185931543 1387829190 /nfs/dbraw/zinc/82/91/90/1387829190.db2.gz GPCWCZBMYWICRF-LSDHHAIUSA-N 1 2 348.491 3.266 20 30 EGEDLO C=CCCCC(=O)N[C@H](C)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001106548344 1366730279 /nfs/dbraw/zinc/73/02/79/1366730279.db2.gz VOSZIJXNBUTFIP-CQSZACIVSA-N 1 2 330.476 3.327 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H](C)CCNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001106575678 1366741756 /nfs/dbraw/zinc/74/17/56/1366741756.db2.gz HGOQGLMPSQHVCH-CYBMUJFWSA-N 1 2 328.460 3.325 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)C(F)C(F)(F)F)CCC[C@@H]12 ZINC001107414510 1366956838 /nfs/dbraw/zinc/95/68/38/1366956838.db2.gz LKYBVTVKVFMGAT-NQBHXWOUSA-N 1 2 342.764 3.000 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)C(F)C(F)(F)F)CCC[C@@H]12 ZINC001107414510 1366956841 /nfs/dbraw/zinc/95/68/41/1366956841.db2.gz LKYBVTVKVFMGAT-NQBHXWOUSA-N 1 2 342.764 3.000 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](F)C(F)(F)F)CCC[C@@H]12 ZINC001107414510 1366956844 /nfs/dbraw/zinc/95/68/44/1366956844.db2.gz LKYBVTVKVFMGAT-NQBHXWOUSA-N 1 2 342.764 3.000 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](F)C(F)(F)F)CCC[C@@H]12 ZINC001107414510 1366956845 /nfs/dbraw/zinc/95/68/45/1366956845.db2.gz LKYBVTVKVFMGAT-NQBHXWOUSA-N 1 2 342.764 3.000 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001109152824 1366978243 /nfs/dbraw/zinc/97/82/43/1366978243.db2.gz CDAJGEGIWXJFGS-SQNIBIBYSA-N 1 2 326.415 3.023 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001109152824 1366978246 /nfs/dbraw/zinc/97/82/46/1366978246.db2.gz CDAJGEGIWXJFGS-SQNIBIBYSA-N 1 2 326.415 3.023 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]([N@H+](C)Cc2csc(-c3ccoc3)n2)C1 ZINC001189317783 1366987199 /nfs/dbraw/zinc/98/71/99/1366987199.db2.gz DPLSXWORWZHUCZ-INIZCTEOSA-N 1 2 345.468 3.402 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2csc(-c3ccoc3)n2)C1 ZINC001189317783 1366987201 /nfs/dbraw/zinc/98/72/01/1366987201.db2.gz DPLSXWORWZHUCZ-INIZCTEOSA-N 1 2 345.468 3.402 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1Cl ZINC001109246099 1367024061 /nfs/dbraw/zinc/02/40/61/1367024061.db2.gz OQYQMRBQRPNRPC-NJAFHUGGSA-N 1 2 348.849 3.360 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1Cl ZINC001109246099 1367024063 /nfs/dbraw/zinc/02/40/63/1367024063.db2.gz OQYQMRBQRPNRPC-NJAFHUGGSA-N 1 2 348.849 3.360 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)CCCC)C1 ZINC001189973857 1367144071 /nfs/dbraw/zinc/14/40/71/1367144071.db2.gz RRGZSGNCYQIFDF-GXTWGEPZSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)CCCC)C1 ZINC001189973857 1367144073 /nfs/dbraw/zinc/14/40/73/1367144073.db2.gz RRGZSGNCYQIFDF-GXTWGEPZSA-N 1 2 331.298 3.254 20 30 EGEDLO C=CCCC(=O)NC[C@]1(C)C[N@H+]([C@@H](C)c2ccccc2F)CCO1 ZINC001107803499 1367154152 /nfs/dbraw/zinc/15/41/52/1367154152.db2.gz AQTYYPHKBIZHBZ-HNAYVOBHSA-N 1 2 334.435 3.060 20 30 EGEDLO C=CCCC(=O)NC[C@]1(C)C[N@@H+]([C@@H](C)c2ccccc2F)CCO1 ZINC001107803499 1367154153 /nfs/dbraw/zinc/15/41/53/1367154153.db2.gz AQTYYPHKBIZHBZ-HNAYVOBHSA-N 1 2 334.435 3.060 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H]([N@H+](C)Cc2nc(C)c(C)o2)C1 ZINC001190328406 1367228480 /nfs/dbraw/zinc/22/84/80/1367228480.db2.gz IIQBAVBOOKNWAX-KRWDZBQOSA-N 1 2 331.460 3.093 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H]([N@@H+](C)Cc2nc(C)c(C)o2)C1 ZINC001190328406 1367228484 /nfs/dbraw/zinc/22/84/84/1367228484.db2.gz IIQBAVBOOKNWAX-KRWDZBQOSA-N 1 2 331.460 3.093 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2nnc(CC(C)C)o2)C1 ZINC001190435653 1367264883 /nfs/dbraw/zinc/26/48/83/1367264883.db2.gz IKTKDKUPILVUAL-HZPDHXFCSA-N 1 2 348.491 3.218 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2nnc(CC(C)C)o2)C1 ZINC001190435653 1367264886 /nfs/dbraw/zinc/26/48/86/1367264886.db2.gz IKTKDKUPILVUAL-HZPDHXFCSA-N 1 2 348.491 3.218 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001109682110 1367279512 /nfs/dbraw/zinc/27/95/12/1367279512.db2.gz UEQZNJLLFNMBFE-VUHPKUFZSA-N 1 2 331.435 3.045 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1 ZINC001109682110 1367279516 /nfs/dbraw/zinc/27/95/16/1367279516.db2.gz UEQZNJLLFNMBFE-VUHPKUFZSA-N 1 2 331.435 3.045 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2oc3ccccc3c2Cl)C1 ZINC001108339866 1367398548 /nfs/dbraw/zinc/39/85/48/1367398548.db2.gz ZCWALLPHEZLRNQ-GOSISDBHSA-N 1 2 348.830 3.093 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2oc3ccccc3c2Cl)C1 ZINC001108339866 1367398551 /nfs/dbraw/zinc/39/85/51/1367398551.db2.gz ZCWALLPHEZLRNQ-GOSISDBHSA-N 1 2 348.830 3.093 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CCCCCCCCC)C1 ZINC001108362357 1367411815 /nfs/dbraw/zinc/41/18/15/1367411815.db2.gz NHNCAYOCEUDFII-HXUWFJFHSA-N 1 2 336.520 3.358 20 30 EGEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CCCCCCCCC)C1 ZINC001108362357 1367411818 /nfs/dbraw/zinc/41/18/18/1367411818.db2.gz NHNCAYOCEUDFII-HXUWFJFHSA-N 1 2 336.520 3.358 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C2CCC(C(C)(C)C)CC2)C1 ZINC001108376267 1367423330 /nfs/dbraw/zinc/42/33/30/1367423330.db2.gz HHZLUXWELKQRDH-WIXQSORDSA-N 1 2 348.531 3.069 20 30 EGEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C2CCC(C(C)(C)C)CC2)C1 ZINC001108376267 1367423333 /nfs/dbraw/zinc/42/33/33/1367423333.db2.gz HHZLUXWELKQRDH-WIXQSORDSA-N 1 2 348.531 3.069 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2cnc(Cl)s2)C1 ZINC001191911736 1367635036 /nfs/dbraw/zinc/63/50/36/1367635036.db2.gz JLIBWOZZDYOPBH-OLZOCXBDSA-N 1 2 341.908 3.432 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2cnc(Cl)s2)C1 ZINC001191911736 1367635040 /nfs/dbraw/zinc/63/50/40/1367635040.db2.gz JLIBWOZZDYOPBH-OLZOCXBDSA-N 1 2 341.908 3.432 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2cnc(Cl)s2)C1 ZINC001192073854 1367681519 /nfs/dbraw/zinc/68/15/19/1367681519.db2.gz YDMGUKBAODFTHQ-LBPRGKRZSA-N 1 2 327.881 3.186 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2cnc(Cl)s2)C1 ZINC001192073854 1367681526 /nfs/dbraw/zinc/68/15/26/1367681526.db2.gz YDMGUKBAODFTHQ-LBPRGKRZSA-N 1 2 327.881 3.186 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2nnc(CC(C)C)o2)C1 ZINC001192094905 1367686051 /nfs/dbraw/zinc/68/60/51/1367686051.db2.gz XRHRYEIPXKBNKS-HOTGVXAUSA-N 1 2 348.491 3.218 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2nnc(CC(C)C)o2)C1 ZINC001192094905 1367686054 /nfs/dbraw/zinc/68/60/54/1367686054.db2.gz XRHRYEIPXKBNKS-HOTGVXAUSA-N 1 2 348.491 3.218 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2CCN(c3cc(C)[nH+]c(C(C)C)n3)[C@@H]2C1 ZINC001110487516 1367774215 /nfs/dbraw/zinc/77/42/15/1367774215.db2.gz JDQQHJICVKCIDF-DLBZAZTESA-N 1 2 342.487 3.302 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)c(F)c1 ZINC001110534049 1367814027 /nfs/dbraw/zinc/81/40/27/1367814027.db2.gz PNGWOSPVBLUGAE-OLMNPRSZSA-N 1 2 348.849 3.360 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)c(F)c1 ZINC001110534049 1367814032 /nfs/dbraw/zinc/81/40/32/1367814032.db2.gz PNGWOSPVBLUGAE-OLMNPRSZSA-N 1 2 348.849 3.360 20 30 EGEDLO C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001110581606 1367847756 /nfs/dbraw/zinc/84/77/56/1367847756.db2.gz YAPIJARFSPLDEZ-MQYQWHSLSA-N 1 2 336.373 3.355 20 30 EGEDLO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001110581606 1367847759 /nfs/dbraw/zinc/84/77/59/1367847759.db2.gz YAPIJARFSPLDEZ-MQYQWHSLSA-N 1 2 336.373 3.355 20 30 EGEDLO C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)C(F)(F)F)C2 ZINC001110581606 1367847764 /nfs/dbraw/zinc/84/77/64/1367847764.db2.gz YAPIJARFSPLDEZ-MQYQWHSLSA-N 1 2 336.373 3.355 20 30 EGEDLO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)C(F)(F)F)C2 ZINC001110581606 1367847765 /nfs/dbraw/zinc/84/77/65/1367847765.db2.gz YAPIJARFSPLDEZ-MQYQWHSLSA-N 1 2 336.373 3.355 20 30 EGEDLO C=CCCC(=O)NC1(C)CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001110583326 1367848942 /nfs/dbraw/zinc/84/89/42/1367848942.db2.gz QGULMKHBMLUYQF-UHFFFAOYSA-N 1 2 328.460 3.104 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1ncc(C)o1 ZINC001110603482 1367865300 /nfs/dbraw/zinc/86/53/00/1367865300.db2.gz GGZIUGNTTINFBV-FPCVCCKLSA-N 1 2 331.460 3.368 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1ncc(C)o1 ZINC001110603482 1367865304 /nfs/dbraw/zinc/86/53/04/1367865304.db2.gz GGZIUGNTTINFBV-FPCVCCKLSA-N 1 2 331.460 3.368 20 30 EGEDLO C#CCN(C(=O)[C@@H](CC)CCC)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110626040 1367873929 /nfs/dbraw/zinc/87/39/29/1367873929.db2.gz DNHXLRDVOXTQJN-KRWDZBQOSA-N 1 2 342.487 3.042 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@@H](CNc2cc[nH+]c(C)n2)C2CCCC2)cc1 ZINC001110677615 1367920510 /nfs/dbraw/zinc/92/05/10/1367920510.db2.gz REPVDDGQMJNAPJ-IBGZPJMESA-N 1 2 348.450 3.167 20 30 EGEDLO CC(C)C[C@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001193088382 1367941677 /nfs/dbraw/zinc/94/16/77/1367941677.db2.gz UUADJIXSNGNULN-HNAYVOBHSA-N 1 2 345.462 3.412 20 30 EGEDLO CC(C)C[C@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001193088382 1367941682 /nfs/dbraw/zinc/94/16/82/1367941682.db2.gz UUADJIXSNGNULN-HNAYVOBHSA-N 1 2 345.462 3.412 20 30 EGEDLO C#CCCCCC(=O)N[C@@]1(C)CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001110741853 1367956885 /nfs/dbraw/zinc/95/68/85/1367956885.db2.gz PFTIKMWTBLBDOL-FQEVSTJZSA-N 1 2 342.487 3.187 20 30 EGEDLO C=C(C)CCC(=O)N[C@]1(C)CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001110793682 1367993315 /nfs/dbraw/zinc/99/33/15/1367993315.db2.gz JPZWDJIYFPJCQC-LJQANCHMSA-N 1 2 328.460 3.104 20 30 EGEDLO C=CCCCC(=O)N[C@]1(C)CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001110808755 1368003793 /nfs/dbraw/zinc/00/37/93/1368003793.db2.gz CVRONZIDBAOBIC-LJQANCHMSA-N 1 2 330.476 3.350 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@]1(C)CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001110809589 1368004853 /nfs/dbraw/zinc/00/48/53/1368004853.db2.gz RGIZZUXTPHPLIU-VBKZILBWSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@]1(C)CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001110809538 1368004930 /nfs/dbraw/zinc/00/49/30/1368004930.db2.gz QAQVSTMZCSTEFM-QRWLVFNGSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CCCC(=O)N1CC[C@](C)(CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001110831980 1368015006 /nfs/dbraw/zinc/01/50/06/1368015006.db2.gz CDZCKFJVTDLONZ-HXUWFJFHSA-N 1 2 342.487 3.281 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(O)ccc1Cl ZINC001110898815 1368071861 /nfs/dbraw/zinc/07/18/61/1368071861.db2.gz VBEYEABNUSOFNO-XYPHTWIQSA-N 1 2 348.874 3.479 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(O)ccc1Cl ZINC001110898815 1368071866 /nfs/dbraw/zinc/07/18/66/1368071866.db2.gz VBEYEABNUSOFNO-XYPHTWIQSA-N 1 2 348.874 3.479 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)cc(F)c1 ZINC001110897768 1368072096 /nfs/dbraw/zinc/07/20/96/1368072096.db2.gz WNEHEZSMCGRFKC-ZACQAIPSSA-N 1 2 334.410 3.399 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)cc(F)c1 ZINC001110897768 1368072100 /nfs/dbraw/zinc/07/21/00/1368072100.db2.gz WNEHEZSMCGRFKC-ZACQAIPSSA-N 1 2 334.410 3.399 20 30 EGEDLO CC[C@H](CC#N)NC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1 ZINC001186317547 1387920469 /nfs/dbraw/zinc/92/04/69/1387920469.db2.gz CQFQMRXGUBDLQM-NHCUHLMSSA-N 1 2 347.462 3.422 20 30 EGEDLO CC[C@H](CC#N)NC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1 ZINC001186317547 1387920473 /nfs/dbraw/zinc/92/04/73/1387920473.db2.gz CQFQMRXGUBDLQM-NHCUHLMSSA-N 1 2 347.462 3.422 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC001110954525 1368121409 /nfs/dbraw/zinc/12/14/09/1368121409.db2.gz WHILJYJPOPQSEG-LPHOPBHVSA-N 1 2 330.476 3.110 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccns2)CC1 ZINC001110987970 1368134382 /nfs/dbraw/zinc/13/43/82/1368134382.db2.gz MAWOQVFMJYHLHD-BMFZPTHFSA-N 1 2 331.485 3.111 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccns2)CC1 ZINC001110987970 1368134384 /nfs/dbraw/zinc/13/43/84/1368134384.db2.gz MAWOQVFMJYHLHD-BMFZPTHFSA-N 1 2 331.485 3.111 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001111086440 1368155234 /nfs/dbraw/zinc/15/52/34/1368155234.db2.gz RWDSCVPMLXWVPY-AXUOBQJMSA-N 1 2 325.456 3.072 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001111086440 1368155235 /nfs/dbraw/zinc/15/52/35/1368155235.db2.gz RWDSCVPMLXWVPY-AXUOBQJMSA-N 1 2 325.456 3.072 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)c1cccnc1)C2 ZINC001111102853 1368160016 /nfs/dbraw/zinc/16/00/16/1368160016.db2.gz YIUSNXRMSNVYNC-YYQUZTFQSA-N 1 2 333.863 3.049 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)c1cccnc1)C2 ZINC001111102853 1368160022 /nfs/dbraw/zinc/16/00/22/1368160022.db2.gz YIUSNXRMSNVYNC-YYQUZTFQSA-N 1 2 333.863 3.049 20 30 EGEDLO CC(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001111192941 1368186635 /nfs/dbraw/zinc/18/66/35/1368186635.db2.gz ZPEAZMACTIKDHH-XLNTUCKNSA-N 1 2 339.483 3.462 20 30 EGEDLO CC(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001111192941 1368186638 /nfs/dbraw/zinc/18/66/38/1368186638.db2.gz ZPEAZMACTIKDHH-XLNTUCKNSA-N 1 2 339.483 3.462 20 30 EGEDLO C=CCCC(=O)N1C[C@H](C)[C@@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001111237777 1368211844 /nfs/dbraw/zinc/21/18/44/1368211844.db2.gz XPIXQHPNRQPXDG-BBRMVZONSA-N 1 2 328.460 3.135 20 30 EGEDLO C=CCOC(=O)NCc1c[nH+]cn1Cc1ccc(C(F)(F)F)cc1 ZINC001194347103 1368240703 /nfs/dbraw/zinc/24/07/03/1368240703.db2.gz RKGHOHVJUVVVQV-UHFFFAOYSA-N 1 2 339.317 3.362 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@H]2C1 ZINC001111301746 1368260073 /nfs/dbraw/zinc/26/00/73/1368260073.db2.gz QZZAEHGJUAEDOF-CALCHBBNSA-N 1 2 342.487 3.159 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccc(CC)cc1)C2 ZINC001111348778 1368270052 /nfs/dbraw/zinc/27/00/52/1368270052.db2.gz LJROPOBAMWSMBO-NXHRZFHOSA-N 1 2 348.874 3.102 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccc(CC)cc1)C2 ZINC001111348778 1368270057 /nfs/dbraw/zinc/27/00/57/1368270057.db2.gz LJROPOBAMWSMBO-NXHRZFHOSA-N 1 2 348.874 3.102 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3nc(C)oc3C)C2)CCCC1 ZINC001194554542 1368284513 /nfs/dbraw/zinc/28/45/13/1368284513.db2.gz BKWUQJCTUHTLCE-KRWDZBQOSA-N 1 2 345.487 3.461 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3nc(C)oc3C)C2)CCCC1 ZINC001194554542 1368284514 /nfs/dbraw/zinc/28/45/14/1368284514.db2.gz BKWUQJCTUHTLCE-KRWDZBQOSA-N 1 2 345.487 3.461 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@H]21 ZINC001111404527 1368298773 /nfs/dbraw/zinc/29/87/73/1368298773.db2.gz PQRXXLNXGWRIEP-DLBZAZTESA-N 1 2 342.487 3.302 20 30 EGEDLO C=CCCC(=O)N1CCC[N@@H+](Cc2ccc(Cl)c(OC)c2)CC1 ZINC001195226303 1368404038 /nfs/dbraw/zinc/40/40/38/1368404038.db2.gz PYLHIWLENCOEDE-UHFFFAOYSA-N 1 2 336.863 3.349 20 30 EGEDLO C=CCCC(=O)N1CCC[N@H+](Cc2ccc(Cl)c(OC)c2)CC1 ZINC001195226303 1368404041 /nfs/dbraw/zinc/40/40/41/1368404041.db2.gz PYLHIWLENCOEDE-UHFFFAOYSA-N 1 2 336.863 3.349 20 30 EGEDLO CCC[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001195374538 1368429902 /nfs/dbraw/zinc/42/99/02/1368429902.db2.gz WQRLECDPEHAWES-OAHLLOKOSA-N 1 2 331.435 3.168 20 30 EGEDLO CCC[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001195374538 1368429904 /nfs/dbraw/zinc/42/99/04/1368429904.db2.gz WQRLECDPEHAWES-OAHLLOKOSA-N 1 2 331.435 3.168 20 30 EGEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1coc(C3CC3)n1)C2 ZINC001111764974 1368451049 /nfs/dbraw/zinc/45/10/49/1368451049.db2.gz MSYVDKWNNCOUDL-JXFKEZNVSA-N 1 2 343.471 3.379 20 30 EGEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1coc(C3CC3)n1)C2 ZINC001111764974 1368451052 /nfs/dbraw/zinc/45/10/52/1368451052.db2.gz MSYVDKWNNCOUDL-JXFKEZNVSA-N 1 2 343.471 3.379 20 30 EGEDLO C#CCCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cscn1)C2 ZINC001111834151 1368489524 /nfs/dbraw/zinc/48/95/24/1368489524.db2.gz MXOASGICWKXGII-LPHOPBHVSA-N 1 2 345.512 3.198 20 30 EGEDLO C#CCCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cscn1)C2 ZINC001111834151 1368489526 /nfs/dbraw/zinc/48/95/26/1368489526.db2.gz MXOASGICWKXGII-LPHOPBHVSA-N 1 2 345.512 3.198 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC001195950954 1368521019 /nfs/dbraw/zinc/52/10/19/1368521019.db2.gz RFZQGPOYMWQTOQ-UHFFFAOYSA-N 1 2 336.479 3.341 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001195950954 1368521021 /nfs/dbraw/zinc/52/10/21/1368521021.db2.gz RFZQGPOYMWQTOQ-UHFFFAOYSA-N 1 2 336.479 3.341 20 30 EGEDLO CCCCCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cnon1)C2 ZINC001111951247 1368571211 /nfs/dbraw/zinc/57/12/11/1368571211.db2.gz ZOXGWRXZWODNCZ-LPHOPBHVSA-N 1 2 348.491 3.291 20 30 EGEDLO CCCCCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cnon1)C2 ZINC001111951247 1368571215 /nfs/dbraw/zinc/57/12/15/1368571215.db2.gz ZOXGWRXZWODNCZ-LPHOPBHVSA-N 1 2 348.491 3.291 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCCN(c2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001111974032 1368582955 /nfs/dbraw/zinc/58/29/55/1368582955.db2.gz IOXGQFLPEIZYBV-INIZCTEOSA-N 1 2 342.487 3.105 20 30 EGEDLO C=CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C/C(Cl)=C/Cl)C1 ZINC001112068309 1368642682 /nfs/dbraw/zinc/64/26/82/1368642682.db2.gz RUTFFCREOHKWIF-XFDQCWFDSA-N 1 2 345.192 3.251 20 30 EGEDLO N#Cc1cccc(-c2cc(C(=O)Nc3cccc4[nH+]ccn43)no2)c1 ZINC001196756504 1368676572 /nfs/dbraw/zinc/67/65/72/1368676572.db2.gz LYJNXJVRAVHVDS-UHFFFAOYSA-N 1 2 329.319 3.113 20 30 EGEDLO CC(C)=C(C)CC(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001196782914 1368683595 /nfs/dbraw/zinc/68/35/95/1368683595.db2.gz RGYNNZRNJXTYQN-UHFFFAOYSA-N 1 2 343.446 3.478 20 30 EGEDLO CC(C)=C(C)CC(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001196782914 1368683596 /nfs/dbraw/zinc/68/35/96/1368683596.db2.gz RGYNNZRNJXTYQN-UHFFFAOYSA-N 1 2 343.446 3.478 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2cc(C3CC3)no2)CC1 ZINC001196831943 1368693658 /nfs/dbraw/zinc/69/36/58/1368693658.db2.gz UUFWDAMIEWRSCY-LSDHHAIUSA-N 1 2 331.460 3.045 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2cc(C3CC3)no2)CC1 ZINC001196831943 1368693663 /nfs/dbraw/zinc/69/36/63/1368693663.db2.gz UUFWDAMIEWRSCY-LSDHHAIUSA-N 1 2 331.460 3.045 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001196901325 1368711113 /nfs/dbraw/zinc/71/11/13/1368711113.db2.gz LVMPWIJNRMMILU-MRXNPFEDSA-N 1 2 343.446 3.334 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001196901325 1368711117 /nfs/dbraw/zinc/71/11/17/1368711117.db2.gz LVMPWIJNRMMILU-MRXNPFEDSA-N 1 2 343.446 3.334 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@H+](CC#Cc3ccccc3)CC2)CCC1 ZINC001197054770 1368736320 /nfs/dbraw/zinc/73/63/20/1368736320.db2.gz ALGSSYPRTFEXRH-UHFFFAOYSA-N 1 2 336.479 3.319 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@@H+](CC#Cc3ccccc3)CC2)CCC1 ZINC001197054770 1368736324 /nfs/dbraw/zinc/73/63/24/1368736324.db2.gz ALGSSYPRTFEXRH-UHFFFAOYSA-N 1 2 336.479 3.319 20 30 EGEDLO CC[C@@H](C)CCC(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001197544881 1368835941 /nfs/dbraw/zinc/83/59/41/1368835941.db2.gz BQVBVRLYQLDCQR-QGZVFWFLSA-N 1 2 327.472 3.419 20 30 EGEDLO CC[C@@H](C)CCC(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001197544881 1368835952 /nfs/dbraw/zinc/83/59/52/1368835952.db2.gz BQVBVRLYQLDCQR-QGZVFWFLSA-N 1 2 327.472 3.419 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C[C@@H]1C ZINC001112420989 1368835922 /nfs/dbraw/zinc/83/59/22/1368835922.db2.gz CQLJWZRSVFBKBF-GUYCJALGSA-N 1 2 344.503 3.335 20 30 EGEDLO CC[C@@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001197586238 1368845906 /nfs/dbraw/zinc/84/59/06/1368845906.db2.gz DGHLCHNKMBLJJY-HZPDHXFCSA-N 1 2 345.462 3.414 20 30 EGEDLO CC[C@@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001197586238 1368845909 /nfs/dbraw/zinc/84/59/09/1368845909.db2.gz DGHLCHNKMBLJJY-HZPDHXFCSA-N 1 2 345.462 3.414 20 30 EGEDLO CC[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001197586430 1368846254 /nfs/dbraw/zinc/84/62/54/1368846254.db2.gz GJGTYEBBUDUXPX-ROUUACIJSA-N 1 2 344.474 3.394 20 30 EGEDLO CC[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001197586430 1368846258 /nfs/dbraw/zinc/84/62/58/1368846258.db2.gz GJGTYEBBUDUXPX-ROUUACIJSA-N 1 2 344.474 3.394 20 30 EGEDLO C=CCCC(=O)N(C)[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001112615746 1368947649 /nfs/dbraw/zinc/94/76/49/1368947649.db2.gz GDWMHLNIACKGAQ-QGZVFWFLSA-N 1 2 330.476 3.185 20 30 EGEDLO C=CC(C)(C)C(=O)N(C)[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001112631909 1368961655 /nfs/dbraw/zinc/96/16/55/1368961655.db2.gz ODIKOJUPDAVYHA-QGZVFWFLSA-N 1 2 344.503 3.431 20 30 EGEDLO C=CCC(C)(C)C(=O)N(C)[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001112634801 1368965175 /nfs/dbraw/zinc/96/51/75/1368965175.db2.gz ALUSXAUXMOZGDO-MRXNPFEDSA-N 1 2 330.476 3.205 20 30 EGEDLO C#CCCCC(=O)N1CCc2ccccc2[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001112765282 1368990442 /nfs/dbraw/zinc/99/04/42/1368990442.db2.gz SAHCNBRDGQDOHC-IBGZPJMESA-N 1 2 348.450 3.126 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001112807353 1369018730 /nfs/dbraw/zinc/01/87/30/1369018730.db2.gz FYWVXMVJFGWLQF-KRWDZBQOSA-N 1 2 344.503 3.431 20 30 EGEDLO CC(C)(C)C#CC(=O)N1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC001112837561 1369037256 /nfs/dbraw/zinc/03/72/56/1369037256.db2.gz MOBHVPRHPBAICM-GOSISDBHSA-N 1 2 328.431 3.007 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[NH+](Cc2cccc(OC)c2C)CC1 ZINC001112885721 1369069029 /nfs/dbraw/zinc/06/90/29/1369069029.db2.gz NFKRJNGINDBJLU-UHFFFAOYSA-N 1 2 342.483 3.416 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CC1(C)C)c1ccccc1OC ZINC001198669301 1369086868 /nfs/dbraw/zinc/08/68/68/1369086868.db2.gz YXSBOEDMIBKAMI-LSDHHAIUSA-N 1 2 336.863 3.241 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@@H]([NH2+]CCF)c1ccccc1OC ZINC001198740871 1369103186 /nfs/dbraw/zinc/10/31/86/1369103186.db2.gz HIHGFIAURWSSQH-QGZVFWFLSA-N 1 2 334.435 3.180 20 30 EGEDLO C#CCC1(C(=O)N2CC[NH+]([C@H](C)c3ccc(F)cc3)CC2)CCC1 ZINC001112951011 1369105682 /nfs/dbraw/zinc/10/56/82/1369105682.db2.gz JJTHKXQZIPGAHJ-MRXNPFEDSA-N 1 2 328.431 3.225 20 30 EGEDLO C#CCCCCC(=O)N[C@H](C)[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001112973899 1369118338 /nfs/dbraw/zinc/11/83/38/1369118338.db2.gz QRJZTNMENMRSOU-CABCVRRESA-N 1 2 342.487 3.163 20 30 EGEDLO C#CCCCCCC(=O)N1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC001113205054 1369260925 /nfs/dbraw/zinc/26/09/25/1369260925.db2.gz IZQDZTIMDSWIDI-HNNXBMFYSA-N 1 2 345.314 3.298 20 30 EGEDLO CC#CCCCC(=O)N[C@H](C)[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001113262583 1369299305 /nfs/dbraw/zinc/29/93/05/1369299305.db2.gz VKHJQHWVMKHVTF-HUUCEWRRSA-N 1 2 328.460 3.161 20 30 EGEDLO C=CCCC1(C(=O)N2CC[NH+](Cc3ccc(OC)cc3)CC2)CC1 ZINC001113310713 1369337935 /nfs/dbraw/zinc/33/79/35/1369337935.db2.gz MUMDHIIPPLOBTH-UHFFFAOYSA-N 1 2 328.456 3.086 20 30 EGEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(C(C)(C)C)s2)CC1 ZINC001113666977 1369553880 /nfs/dbraw/zinc/55/38/80/1369553880.db2.gz JSWHNFTVBAQTJR-UHFFFAOYSA-N 1 2 336.501 3.006 20 30 EGEDLO C=CCO[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1 ZINC001113713793 1369581807 /nfs/dbraw/zinc/58/18/07/1369581807.db2.gz YQQKEMJLJHHBNS-QGZVFWFLSA-N 1 2 344.499 3.219 20 30 EGEDLO Nc1ccccc1C(NO)=[NH+]c1cncc(OCc2ccccc2)c1 ZINC001201625769 1369593132 /nfs/dbraw/zinc/59/31/32/1369593132.db2.gz LEQMVSUNTOSQNL-UHFFFAOYSA-N 1 2 334.379 3.300 20 30 EGEDLO C=CCC1(C(=O)NC[C@H](C)N(C)c2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001113853804 1369634735 /nfs/dbraw/zinc/63/47/35/1369634735.db2.gz QXNODYYODBHJRF-HNNXBMFYSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CN(c2nc(C)[nH+]c(C)c2C)CC[C@@H]1C ZINC001114046441 1369701121 /nfs/dbraw/zinc/70/11/21/1369701121.db2.gz PFDZVIHQCBAODM-GUYCJALGSA-N 1 2 344.503 3.335 20 30 EGEDLO C#CCCCCC(=O)NC1(CNc2cc[nH+]c(C)n2)CCCCC1 ZINC001114153522 1369766056 /nfs/dbraw/zinc/76/60/56/1369766056.db2.gz FTCTZEGXWRYOHD-UHFFFAOYSA-N 1 2 328.460 3.210 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)CC1(C)C ZINC001114455006 1369950595 /nfs/dbraw/zinc/95/05/95/1369950595.db2.gz RQQHRDSDAYQMAL-MRXNPFEDSA-N 1 2 342.487 3.043 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001114467622 1369959836 /nfs/dbraw/zinc/95/98/36/1369959836.db2.gz CFIJZIUAJMOPEQ-INIZCTEOSA-N 1 2 330.476 3.089 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001114467623 1369959902 /nfs/dbraw/zinc/95/99/02/1369959902.db2.gz CFIJZIUAJMOPEQ-MRXNPFEDSA-N 1 2 330.476 3.089 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(C(C)(C)C)on3)C[C@H]21 ZINC001114722555 1370045681 /nfs/dbraw/zinc/04/56/81/1370045681.db2.gz JLJUNOYCDXLNSO-KMANFZQXSA-N 1 2 345.487 3.121 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(C(C)(C)C)on3)C[C@H]21 ZINC001114722555 1370045683 /nfs/dbraw/zinc/04/56/83/1370045683.db2.gz JLJUNOYCDXLNSO-KMANFZQXSA-N 1 2 345.487 3.121 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001114760015 1370065433 /nfs/dbraw/zinc/06/54/33/1370065433.db2.gz SEEMKVCSVSEWJJ-OIPACUDHSA-N 1 2 345.487 3.436 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001114760015 1370065438 /nfs/dbraw/zinc/06/54/38/1370065438.db2.gz SEEMKVCSVSEWJJ-OIPACUDHSA-N 1 2 345.487 3.436 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1C[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001114792801 1370083371 /nfs/dbraw/zinc/08/33/71/1370083371.db2.gz FZZWYBVYHJONMU-KOMQPUFPSA-N 1 2 328.460 3.325 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1C[C@H](CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001114792921 1370083874 /nfs/dbraw/zinc/08/38/74/1370083874.db2.gz IKOHEXWMASBCHD-WKILWMFISA-N 1 2 342.487 3.327 20 30 EGEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccccc1Cl)CC2 ZINC001203378238 1370105984 /nfs/dbraw/zinc/10/59/84/1370105984.db2.gz CYHCDLZQIMNCSA-UHFFFAOYSA-N 1 2 331.847 3.334 20 30 EGEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccccc1Cl)CC2 ZINC001203378238 1370105986 /nfs/dbraw/zinc/10/59/86/1370105986.db2.gz CYHCDLZQIMNCSA-UHFFFAOYSA-N 1 2 331.847 3.334 20 30 EGEDLO C=CCCC1(C(=O)NCC[C@@H](Nc2cc[nH+]c(C)n2)C(C)C)CC1 ZINC001115355386 1370404113 /nfs/dbraw/zinc/40/41/13/1370404113.db2.gz XZBIXUYNCSVOOB-MRXNPFEDSA-N 1 2 330.476 3.474 20 30 EGEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1ccoc1)CC2 ZINC001204241792 1370419811 /nfs/dbraw/zinc/41/98/11/1370419811.db2.gz OCPPUKGVPHZJGF-UHFFFAOYSA-N 1 2 327.428 3.147 20 30 EGEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1ccoc1)CC2 ZINC001204241792 1370419815 /nfs/dbraw/zinc/41/98/15/1370419815.db2.gz OCPPUKGVPHZJGF-UHFFFAOYSA-N 1 2 327.428 3.147 20 30 EGEDLO C=C(C)CCC(=O)NCCOCCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001115426303 1370447034 /nfs/dbraw/zinc/44/70/34/1370447034.db2.gz RTXKAONXQLLXHL-UHFFFAOYSA-N 1 2 348.491 3.200 20 30 EGEDLO CCN(Cc1ccccc1C#N)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001204374695 1370459100 /nfs/dbraw/zinc/45/91/00/1370459100.db2.gz FIEFQTLCCQXDCU-QFIPXVFZSA-N 1 2 349.478 3.281 20 30 EGEDLO CCN(Cc1ccccc1C#N)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001204374695 1370459105 /nfs/dbraw/zinc/45/91/05/1370459105.db2.gz FIEFQTLCCQXDCU-QFIPXVFZSA-N 1 2 349.478 3.281 20 30 EGEDLO C#CCCCC(=O)N(C)[C@H](CNc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001115511994 1370509920 /nfs/dbraw/zinc/50/99/20/1370509920.db2.gz UHWNQGJNKQEDMZ-QGZVFWFLSA-N 1 2 342.487 3.361 20 30 EGEDLO C=CCC(CC=C)C(=O)N(C)[C@@H](CNc1cc[nH+]c(C)n1)C1CC1 ZINC001115544300 1370541032 /nfs/dbraw/zinc/54/10/32/1370541032.db2.gz OFTAMFKSODOXBB-KRWDZBQOSA-N 1 2 328.460 3.202 20 30 EGEDLO C=CC(C)(C)CC(=O)NCC1([NH2+]Cc2noc(CC)n2)CCCCC1 ZINC001115554924 1370552297 /nfs/dbraw/zinc/55/22/97/1370552297.db2.gz RPCPJXQQYCTSEU-UHFFFAOYSA-N 1 2 348.491 3.143 20 30 EGEDLO N#Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC001204793547 1370577887 /nfs/dbraw/zinc/57/78/87/1370577887.db2.gz KFPYJZZSPSZKSE-MRXNPFEDSA-N 1 2 332.407 3.478 20 30 EGEDLO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC001204793547 1370577889 /nfs/dbraw/zinc/57/78/89/1370577889.db2.gz KFPYJZZSPSZKSE-MRXNPFEDSA-N 1 2 332.407 3.478 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCC1([NH2+]Cc2noc(CC)n2)CCCCC1 ZINC001115685162 1370668530 /nfs/dbraw/zinc/66/85/30/1370668530.db2.gz WKBVLHPEWSHFSF-HNNXBMFYSA-N 1 2 348.491 3.143 20 30 EGEDLO C=CCCCCC[NH2+]CC1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001205349697 1370729085 /nfs/dbraw/zinc/72/90/85/1370729085.db2.gz OMWTUXBUEUTSET-CQSZACIVSA-N 1 2 338.389 3.461 20 30 EGEDLO C=CCCCCC[NH2+]CC1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001205349697 1370729091 /nfs/dbraw/zinc/72/90/91/1370729091.db2.gz OMWTUXBUEUTSET-CQSZACIVSA-N 1 2 338.389 3.461 20 30 EGEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cc(C)ccc1F)CC2 ZINC001205624096 1370815598 /nfs/dbraw/zinc/81/55/98/1370815598.db2.gz PIYZROSSTKIONR-UHFFFAOYSA-N 1 2 329.419 3.129 20 30 EGEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cc(C)ccc1F)CC2 ZINC001205624096 1370815600 /nfs/dbraw/zinc/81/56/00/1370815600.db2.gz PIYZROSSTKIONR-UHFFFAOYSA-N 1 2 329.419 3.129 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2csc(C(C)(C)C)n2)C[C@H]1C ZINC001206509743 1371078559 /nfs/dbraw/zinc/07/85/59/1371078559.db2.gz UULHPOYFVLIPJZ-UKRRQHHQSA-N 1 2 335.517 3.343 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2csc(C(C)(C)C)n2)C[C@H]1C ZINC001206509743 1371078564 /nfs/dbraw/zinc/07/85/64/1371078564.db2.gz UULHPOYFVLIPJZ-UKRRQHHQSA-N 1 2 335.517 3.343 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2c(F)cccc2F)C[C@H]1C ZINC001206884927 1371205752 /nfs/dbraw/zinc/20/57/52/1371205752.db2.gz MDMKPVNNISAWTA-RDTXWAMCSA-N 1 2 334.410 3.095 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](Cc2c(F)cccc2F)C[C@H]1C ZINC001206884927 1371205755 /nfs/dbraw/zinc/20/57/55/1371205755.db2.gz MDMKPVNNISAWTA-RDTXWAMCSA-N 1 2 334.410 3.095 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)cc2F)C[C@H]1C ZINC001206938226 1371234105 /nfs/dbraw/zinc/23/41/05/1371234105.db2.gz MTEZMJOVTMQVDA-CXAGYDPISA-N 1 2 336.838 3.075 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2F)C[C@H]1C ZINC001206938226 1371234108 /nfs/dbraw/zinc/23/41/08/1371234108.db2.gz MTEZMJOVTMQVDA-CXAGYDPISA-N 1 2 336.838 3.075 20 30 EGEDLO CCn1ccnc1C[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001207146158 1371309041 /nfs/dbraw/zinc/30/90/41/1371309041.db2.gz IMZJRBWRNCUMFQ-UHFFFAOYSA-N 1 2 344.846 3.471 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H]([NH2+][C@H](C)c2nc(CCCC)no2)C1 ZINC001207629500 1371458363 /nfs/dbraw/zinc/45/83/63/1371458363.db2.gz SHKUJUOVWCZWCQ-CABCVRRESA-N 1 2 334.464 3.020 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@H]([NH2+]Cc2nc(CCC(C)C)no2)C1 ZINC001208260808 1371689525 /nfs/dbraw/zinc/68/95/25/1371689525.db2.gz FZGJXCOVDAEBHC-INIZCTEOSA-N 1 2 348.491 3.095 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ncc(C4CC4)o3)C[C@H]2C)CCC1 ZINC001208497905 1371788008 /nfs/dbraw/zinc/78/80/08/1371788008.db2.gz FIOIMGXHGHKHFP-GDBMZVCRSA-N 1 2 343.471 3.235 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ncc(C4CC4)o3)C[C@H]2C)CCC1 ZINC001208497905 1371788015 /nfs/dbraw/zinc/78/80/15/1371788015.db2.gz FIOIMGXHGHKHFP-GDBMZVCRSA-N 1 2 343.471 3.235 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ncoc2C(C)C)C[C@H]1C ZINC001208511973 1371794847 /nfs/dbraw/zinc/79/48/47/1371794847.db2.gz QJGZWVSZZQSGCR-CLCXKQKWSA-N 1 2 333.476 3.337 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ncoc2C(C)C)C[C@H]1C ZINC001208511973 1371794855 /nfs/dbraw/zinc/79/48/55/1371794855.db2.gz QJGZWVSZZQSGCR-CLCXKQKWSA-N 1 2 333.476 3.337 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3csc(C)n3)C[C@H]2C)CC1 ZINC001208515359 1371796599 /nfs/dbraw/zinc/79/65/99/1371796599.db2.gz JDYLUQJIGVSVGI-CZUORRHYSA-N 1 2 333.501 3.134 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3csc(C)n3)C[C@H]2C)CC1 ZINC001208515359 1371796602 /nfs/dbraw/zinc/79/66/02/1371796602.db2.gz JDYLUQJIGVSVGI-CZUORRHYSA-N 1 2 333.501 3.134 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC(C)C)C1 ZINC001208809333 1371902713 /nfs/dbraw/zinc/90/27/13/1371902713.db2.gz MFDQOEYTNNMHAR-TZMCWYRMSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC(C)C)C1 ZINC001208809333 1371902714 /nfs/dbraw/zinc/90/27/14/1371902714.db2.gz MFDQOEYTNNMHAR-TZMCWYRMSA-N 1 2 331.298 3.158 20 30 EGEDLO CCOC(=O)c1ccc(CCC[N@@H+]2CC[C@H]3SC(=O)C=C3C2)cc1 ZINC001208866782 1371924819 /nfs/dbraw/zinc/92/48/19/1371924819.db2.gz WMBFALQVWWMUEN-QGZVFWFLSA-N 1 2 345.464 3.070 20 30 EGEDLO CCOC(=O)c1ccc(CCC[N@H+]2CC[C@H]3SC(=O)C=C3C2)cc1 ZINC001208866782 1371924822 /nfs/dbraw/zinc/92/48/22/1371924822.db2.gz WMBFALQVWWMUEN-QGZVFWFLSA-N 1 2 345.464 3.070 20 30 EGEDLO CCOC(=O)[C@H]1CC[C@H](C[N@H+](CCC#N)Cc2cccnc2)CC1 ZINC001208999071 1371970921 /nfs/dbraw/zinc/97/09/21/1371970921.db2.gz ZIFXACBPJQNHPW-SAABIXHNSA-N 1 2 329.444 3.167 20 30 EGEDLO CCOC(=O)[C@H]1CC[C@H](C[N@@H+](CCC#N)Cc2cccnc2)CC1 ZINC001208999071 1371970922 /nfs/dbraw/zinc/97/09/22/1371970922.db2.gz ZIFXACBPJQNHPW-SAABIXHNSA-N 1 2 329.444 3.167 20 30 EGEDLO CC#CCCCC(=O)N1CCC[C@H]([NH2+][C@H](C)c2nc(C(C)C)no2)C1 ZINC001209110509 1371999966 /nfs/dbraw/zinc/99/99/66/1371999966.db2.gz ATGZISUUKOCPPU-CVEARBPZSA-N 1 2 346.475 3.028 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CC(C)(C)C)C1 ZINC001209209034 1372039597 /nfs/dbraw/zinc/03/95/97/1372039597.db2.gz QJMJJTQWBYHXSL-OUCADQQQSA-N 1 2 345.325 3.404 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CC(C)(C)C)C1 ZINC001209209034 1372039602 /nfs/dbraw/zinc/03/96/02/1372039602.db2.gz QJMJJTQWBYHXSL-OUCADQQQSA-N 1 2 345.325 3.404 20 30 EGEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@H](C)CCC ZINC001121684198 1372046158 /nfs/dbraw/zinc/04/61/58/1372046158.db2.gz HEDAXIAFCNJUFK-MRXNPFEDSA-N 1 2 344.507 3.182 20 30 EGEDLO CC[N@H+](CCC#N)CCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001209339476 1372072691 /nfs/dbraw/zinc/07/26/91/1372072691.db2.gz FRFYFKCNTAXIRB-UHFFFAOYSA-N 1 2 341.452 3.394 20 30 EGEDLO CC[N@@H+](CCC#N)CCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001209339476 1372072693 /nfs/dbraw/zinc/07/26/93/1372072693.db2.gz FRFYFKCNTAXIRB-UHFFFAOYSA-N 1 2 341.452 3.394 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@H]([NH2+][C@H](C)c2nc(CCCC)no2)C1 ZINC001209346981 1372073412 /nfs/dbraw/zinc/07/34/12/1372073412.db2.gz YITSVQBAIAOFFZ-CVEARBPZSA-N 1 2 348.491 3.410 20 30 EGEDLO CC[C@@H]1CCCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CC ZINC001121800621 1372084861 /nfs/dbraw/zinc/08/48/61/1372084861.db2.gz JWQWANVPLPMLFE-QGZVFWFLSA-N 1 2 344.507 3.160 20 30 EGEDLO CCCCCCC[NH2+]C1CC2(CC(NC(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001122117672 1372179038 /nfs/dbraw/zinc/17/90/38/1372179038.db2.gz AUXQRJQLLMLXIS-UHFFFAOYSA-N 1 2 346.519 3.248 20 30 EGEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCS[C@H](C)[C@H]1C ZINC001122536773 1372268204 /nfs/dbraw/zinc/26/82/04/1372268204.db2.gz MVTZPUQSJGJOJU-HZPDHXFCSA-N 1 2 349.548 3.170 20 30 EGEDLO N#C[C@@H]1C[NH2+]CCN1Cc1c[nH]c2cc(OCc3ccccc3)ccc12 ZINC001210121467 1372275447 /nfs/dbraw/zinc/27/54/47/1372275447.db2.gz LVSZQJZCBLTXAG-GOSISDBHSA-N 1 2 346.434 3.044 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@H]1C ZINC001123102192 1372380697 /nfs/dbraw/zinc/38/06/97/1372380697.db2.gz ZMHVDNZLDUSXFH-ZBFHGGJFSA-N 1 2 328.460 3.420 20 30 EGEDLO C=CCCC(=O)N1C[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C[C@@H]1C ZINC001123179527 1372393317 /nfs/dbraw/zinc/39/33/17/1372393317.db2.gz LKZDLAMZKRECIM-ZFWWWQNUSA-N 1 2 328.460 3.031 20 30 EGEDLO CCC(C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001211178114 1372494741 /nfs/dbraw/zinc/49/47/41/1372494741.db2.gz WZWNJWOEYLZLLG-RDTXWAMCSA-N 1 2 345.462 3.460 20 30 EGEDLO CCC(C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001211178114 1372494742 /nfs/dbraw/zinc/49/47/42/1372494742.db2.gz WZWNJWOEYLZLLG-RDTXWAMCSA-N 1 2 345.462 3.460 20 30 EGEDLO C=CCCC(=O)N1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C(C)(C)C1 ZINC001123907530 1372622998 /nfs/dbraw/zinc/62/29/98/1372622998.db2.gz FYAFVVNDMMKAFD-KRWDZBQOSA-N 1 2 342.487 3.279 20 30 EGEDLO C=C(C)CCC(=O)N(CCN(C)c1nc(C)[nH+]c(C)c1C)C(C)C ZINC001125601460 1372816570 /nfs/dbraw/zinc/81/65/70/1372816570.db2.gz LDPDWCAEWMBJQK-UHFFFAOYSA-N 1 2 332.492 3.431 20 30 EGEDLO C=CCC(C)(C)C(=O)NCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001127774436 1373177806 /nfs/dbraw/zinc/17/78/06/1373177806.db2.gz LMTZGRUMNWQZCW-UHFFFAOYSA-N 1 2 342.487 3.257 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)CCC(C)C)c2C1 ZINC001128218303 1373236883 /nfs/dbraw/zinc/23/68/83/1373236883.db2.gz SFXPKSRPMQSFDI-UHFFFAOYSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)CCC(C)C)c2C1 ZINC001128218303 1373236884 /nfs/dbraw/zinc/23/68/84/1373236884.db2.gz SFXPKSRPMQSFDI-UHFFFAOYSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C[C@H](C)CCCCC)c2C1 ZINC001128517568 1373281296 /nfs/dbraw/zinc/28/12/96/1373281296.db2.gz NKYYWGDVRPTOTB-QGZVFWFLSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C[C@H](C)CCCCC)c2C1 ZINC001128517568 1373281301 /nfs/dbraw/zinc/28/13/01/1373281301.db2.gz NKYYWGDVRPTOTB-QGZVFWFLSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCC1(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H](C)c3noc(C)n3)C2)CCCC1 ZINC001217110183 1373388979 /nfs/dbraw/zinc/38/89/79/1373388979.db2.gz DBNIPYOQQNBOTR-IJEWVQPXSA-N 1 2 346.475 3.012 20 30 EGEDLO N#Cc1ccc(-c2ccc(Cl)cc2)nc1O[C@H]1C[NH2+]CC1(F)F ZINC001218238080 1373580801 /nfs/dbraw/zinc/58/08/01/1373580801.db2.gz YXTNLHXRWNPAJH-AWEZNQCLSA-N 1 2 335.741 3.260 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)C=C(CC)CC)C[C@H](C)O2 ZINC001131649267 1373743606 /nfs/dbraw/zinc/74/36/06/1373743606.db2.gz IPFVITPRNNCSRJ-YJBOKZPZSA-N 1 2 340.895 3.177 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C=C(CC)CC)C[C@H](C)O2 ZINC001131649267 1373743610 /nfs/dbraw/zinc/74/36/10/1373743610.db2.gz IPFVITPRNNCSRJ-YJBOKZPZSA-N 1 2 340.895 3.177 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC001131900136 1375035336 /nfs/dbraw/zinc/03/53/36/1375035336.db2.gz UDCDDXWTSOSYHY-GJZGRUSLSA-N 1 2 343.427 3.370 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc(-c3ccco3)on2)C1 ZINC001131900136 1375035341 /nfs/dbraw/zinc/03/53/41/1375035341.db2.gz UDCDDXWTSOSYHY-GJZGRUSLSA-N 1 2 343.427 3.370 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131899865 1375036271 /nfs/dbraw/zinc/03/62/71/1375036271.db2.gz QYOSVSHYFPWOAS-KDOFPFPSSA-N 1 2 329.419 3.133 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131899865 1375036274 /nfs/dbraw/zinc/03/62/74/1375036274.db2.gz QYOSVSHYFPWOAS-KDOFPFPSSA-N 1 2 329.419 3.133 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001131959447 1375071445 /nfs/dbraw/zinc/07/14/45/1375071445.db2.gz FORUTYREIYFNFC-YJBOKZPZSA-N 1 2 346.421 3.410 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1CC[C@H](C)[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001131959447 1375071449 /nfs/dbraw/zinc/07/14/49/1375071449.db2.gz FORUTYREIYFNFC-YJBOKZPZSA-N 1 2 346.421 3.410 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1cccc(F)c1Cl ZINC001132046961 1375115897 /nfs/dbraw/zinc/11/58/97/1375115897.db2.gz SICQKSXNSKWSIU-CZUORRHYSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1cccc(F)c1Cl ZINC001132046961 1375115900 /nfs/dbraw/zinc/11/59/00/1375115900.db2.gz SICQKSXNSKWSIU-CZUORRHYSA-N 1 2 348.849 3.362 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001132072387 1375132480 /nfs/dbraw/zinc/13/24/80/1375132480.db2.gz KWBYEHPLTKXNCP-HZPDHXFCSA-N 1 2 345.487 3.379 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001132072387 1375132481 /nfs/dbraw/zinc/13/24/81/1375132481.db2.gz KWBYEHPLTKXNCP-HZPDHXFCSA-N 1 2 345.487 3.379 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)COC2CCCCC2)CC[C@H]1C ZINC001132150582 1375171324 /nfs/dbraw/zinc/17/13/24/1375171324.db2.gz STJBRUUACWUBJP-HUUCEWRRSA-N 1 2 328.884 3.057 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)COC2CCCCC2)CC[C@H]1C ZINC001132150582 1375171326 /nfs/dbraw/zinc/17/13/26/1375171326.db2.gz STJBRUUACWUBJP-HUUCEWRRSA-N 1 2 328.884 3.057 20 30 EGEDLO C=CCCC[N@H+]1C[C@@H](NC(=O)c2n[nH]c3ccc(C)cc32)CC[C@@H]1C ZINC001132153053 1375172874 /nfs/dbraw/zinc/17/28/74/1375172874.db2.gz MTYCIZOGWONAJR-HOTGVXAUSA-N 1 2 340.471 3.420 20 30 EGEDLO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2n[nH]c3ccc(C)cc32)CC[C@@H]1C ZINC001132153053 1375172875 /nfs/dbraw/zinc/17/28/75/1375172875.db2.gz MTYCIZOGWONAJR-HOTGVXAUSA-N 1 2 340.471 3.420 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3nocc3C)C2)CC1 ZINC001132279464 1375263450 /nfs/dbraw/zinc/26/34/50/1375263450.db2.gz XFDSHGHRBSKQBP-HOTGVXAUSA-N 1 2 331.460 3.199 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3nocc3C)C2)CC1 ZINC001132279464 1375263452 /nfs/dbraw/zinc/26/34/52/1375263452.db2.gz XFDSHGHRBSKQBP-HOTGVXAUSA-N 1 2 331.460 3.199 20 30 EGEDLO CCC[C@H](C)C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001226663318 1375303463 /nfs/dbraw/zinc/30/34/63/1375303463.db2.gz DUCXVIKFOHFPHG-AWEZNQCLSA-N 1 2 331.435 3.214 20 30 EGEDLO C#CCCCCC(=O)NC1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC001226951509 1375367540 /nfs/dbraw/zinc/36/75/40/1375367540.db2.gz BRAUOZPJEFWKIS-UHFFFAOYSA-N 1 2 334.410 3.239 20 30 EGEDLO CC(=O)c1cc(C#N)ccc1O[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001226974913 1375375730 /nfs/dbraw/zinc/37/57/30/1375375730.db2.gz LAJODERPIBFZRF-LJQANCHMSA-N 1 2 345.402 3.286 20 30 EGEDLO CC(=O)c1cc(C#N)ccc1O[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001226974913 1375375737 /nfs/dbraw/zinc/37/57/37/1375375737.db2.gz LAJODERPIBFZRF-LJQANCHMSA-N 1 2 345.402 3.286 20 30 EGEDLO C#CCCCC(=O)NC1CC[NH+](Cc2ccn(C(CC)CC)n2)CC1 ZINC001227084848 1375387401 /nfs/dbraw/zinc/38/74/01/1375387401.db2.gz MDJRQIVMKYUVTF-UHFFFAOYSA-N 1 2 344.503 3.128 20 30 EGEDLO CC(C)C#CC(=O)NC1CC[NH+](Cc2csc(C(C)(C)C)n2)CC1 ZINC001227265531 1375414228 /nfs/dbraw/zinc/41/42/28/1375414228.db2.gz KNMRYGHOJMKRDB-UHFFFAOYSA-N 1 2 347.528 3.181 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(CCC)n1 ZINC001227917489 1375491183 /nfs/dbraw/zinc/49/11/83/1375491183.db2.gz WOADZYHVQLUCIO-HUUCEWRRSA-N 1 2 348.491 3.141 20 30 EGEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccc(OCc4ccccc4)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228298785 1375545474 /nfs/dbraw/zinc/54/54/74/1375545474.db2.gz NTJAGKRRUGPFBN-CMMDMPAISA-N 1 2 337.419 3.257 20 30 EGEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc(OCc4ccccc4)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228298785 1375545479 /nfs/dbraw/zinc/54/54/79/1375545479.db2.gz NTJAGKRRUGPFBN-CMMDMPAISA-N 1 2 337.419 3.257 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC001228747581 1375661153 /nfs/dbraw/zinc/66/11/53/1375661153.db2.gz CRBPXODSJGFHGP-ZIAGYGMSSA-N 1 2 331.460 3.091 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001228748958 1375661886 /nfs/dbraw/zinc/66/18/86/1375661886.db2.gz OTMQKBZEIVXYSY-KGLIPLIRSA-N 1 2 331.460 3.091 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC1CC[NH+]([C@@H](C)c2nnc(C)s2)CC1 ZINC001228801343 1375682287 /nfs/dbraw/zinc/68/22/87/1375682287.db2.gz MQRYDHAELIGQRF-STQMWFEESA-N 1 2 336.505 3.090 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC1CC[NH+]([C@@H](C)c2nnc(C)s2)CC1 ZINC001228809968 1375682837 /nfs/dbraw/zinc/68/28/37/1375682837.db2.gz NZCYNPNGVVLTST-GXTWGEPZSA-N 1 2 336.505 3.090 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC1CC[NH+](CC(=C)Br)CC1 ZINC001228808994 1375683706 /nfs/dbraw/zinc/68/37/06/1375683706.db2.gz CKTFGLACUDZVPN-ZDUSSCGKSA-N 1 2 329.282 3.078 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC001228810168 1375685193 /nfs/dbraw/zinc/68/51/93/1375685193.db2.gz RJWATXIMYQOZBQ-CQSZACIVSA-N 1 2 331.460 3.235 20 30 EGEDLO C[C@@H](CC(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1)C1CC1 ZINC001230386932 1376014259 /nfs/dbraw/zinc/01/42/59/1376014259.db2.gz IYIXGUUJRXZAJN-AWEZNQCLSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+](CCCNC(=O)c1cc[nH]c1C)Cc1cccnc1 ZINC001230727355 1376135126 /nfs/dbraw/zinc/13/51/26/1376135126.db2.gz XGBGASJPGPAHDZ-UHFFFAOYSA-N 1 2 346.862 3.093 20 30 EGEDLO C=C(Cl)C[N@H+](CCCNC(=O)c1cc[nH]c1C)Cc1cccnc1 ZINC001230727355 1376135131 /nfs/dbraw/zinc/13/51/31/1376135131.db2.gz XGBGASJPGPAHDZ-UHFFFAOYSA-N 1 2 346.862 3.093 20 30 EGEDLO CCC(=O)N1CC[NH+](Cc2ccccc2C#Cc2ccccc2)CC1 ZINC001231578234 1376268692 /nfs/dbraw/zinc/26/86/92/1376268692.db2.gz HXXGPPODKKZDGL-UHFFFAOYSA-N 1 2 332.447 3.141 20 30 EGEDLO COc1cc(C#N)ccc1C[N@H+](C)Cc1cccc(OC)c1OC ZINC001231620497 1376282145 /nfs/dbraw/zinc/28/21/45/1376282145.db2.gz CWLALZSGIMMEHX-UHFFFAOYSA-N 1 2 326.396 3.216 20 30 EGEDLO COc1cc(C#N)ccc1C[N@@H+](C)Cc1cccc(OC)c1OC ZINC001231620497 1376282161 /nfs/dbraw/zinc/28/21/61/1376282161.db2.gz CWLALZSGIMMEHX-UHFFFAOYSA-N 1 2 326.396 3.216 20 30 EGEDLO C=CCOc1cccc(C[N@@H+]2CCc3onc(COCC)c3C2)c1 ZINC001231623817 1376286026 /nfs/dbraw/zinc/28/60/26/1376286026.db2.gz XCTYOKUZOSNCKQ-UHFFFAOYSA-N 1 2 328.412 3.334 20 30 EGEDLO C=CCOc1cccc(C[N@H+]2CCc3onc(COCC)c3C2)c1 ZINC001231623817 1376286033 /nfs/dbraw/zinc/28/60/33/1376286033.db2.gz XCTYOKUZOSNCKQ-UHFFFAOYSA-N 1 2 328.412 3.334 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC001231632618 1376286838 /nfs/dbraw/zinc/28/68/38/1376286838.db2.gz BFOICFGIZYRIHA-MRXNPFEDSA-N 1 2 341.411 3.218 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC001231632618 1376286849 /nfs/dbraw/zinc/28/68/49/1376286849.db2.gz BFOICFGIZYRIHA-MRXNPFEDSA-N 1 2 341.411 3.218 20 30 EGEDLO COC(=O)c1cccc([C@@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2O)c1 ZINC001232681248 1376502028 /nfs/dbraw/zinc/50/20/28/1376502028.db2.gz OFNGGNRIGPKANP-SFHVURJKSA-N 1 2 336.391 3.388 20 30 EGEDLO COC(=O)c1cccc([C@@H]2CCC[N@H+]2Cc2cc(C#N)ccc2O)c1 ZINC001232681248 1376502046 /nfs/dbraw/zinc/50/20/46/1376502046.db2.gz OFNGGNRIGPKANP-SFHVURJKSA-N 1 2 336.391 3.388 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccc(C#N)s1)CCO2 ZINC001232843535 1376522559 /nfs/dbraw/zinc/52/25/59/1376522559.db2.gz PIBNOHQJNYCXTD-CRAIPNDOSA-N 1 2 332.469 3.193 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1ccc(C#N)s1)CCO2 ZINC001232843535 1376522562 /nfs/dbraw/zinc/52/25/62/1376522562.db2.gz PIBNOHQJNYCXTD-CRAIPNDOSA-N 1 2 332.469 3.193 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nnsc1Cl ZINC001134453871 1376546236 /nfs/dbraw/zinc/54/62/36/1376546236.db2.gz NPCJTYIQDVVHKR-GHMZBOCLSA-N 1 2 344.912 3.167 20 30 EGEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)Nc2ccccc2)CC1 ZINC001233082426 1376567532 /nfs/dbraw/zinc/56/75/32/1376567532.db2.gz BCXREWNTLDYSFR-UHFFFAOYSA-N 1 2 334.423 3.216 20 30 EGEDLO CC(C)CC1(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)CC1 ZINC001235191239 1376857016 /nfs/dbraw/zinc/85/70/16/1376857016.db2.gz FGLAHLTUSVZVCJ-OAHLLOKOSA-N 1 2 345.512 3.479 20 30 EGEDLO CC(C)CC1(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)CC1 ZINC001235191239 1376857021 /nfs/dbraw/zinc/85/70/21/1376857021.db2.gz FGLAHLTUSVZVCJ-OAHLLOKOSA-N 1 2 345.512 3.479 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(F)(F)C(F)F ZINC001135564757 1377146683 /nfs/dbraw/zinc/14/66/83/1377146683.db2.gz JBASPHQVYWIGLS-WDEREUQCSA-N 1 2 326.378 3.362 20 30 EGEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1Cc1c(C)cccc1C ZINC001137849070 1377630423 /nfs/dbraw/zinc/63/04/23/1377630423.db2.gz CDGSMERCDIFLQL-IBGZPJMESA-N 1 2 340.471 3.217 20 30 EGEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1Cc1c(C)cccc1C ZINC001137849070 1377630428 /nfs/dbraw/zinc/63/04/28/1377630428.db2.gz CDGSMERCDIFLQL-IBGZPJMESA-N 1 2 340.471 3.217 20 30 EGEDLO CCCn1cc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)cn1 ZINC001139043695 1377821972 /nfs/dbraw/zinc/82/19/72/1377821972.db2.gz XXCOGADQVCVVQK-UHFFFAOYSA-N 1 2 326.419 3.490 20 30 EGEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ccc(-c3ccccc3)nc2)CC1 ZINC001139519033 1377896040 /nfs/dbraw/zinc/89/60/40/1377896040.db2.gz KSYDXMJQKVWUDX-UHFFFAOYSA-N 1 2 349.434 3.417 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(OC)c2)C1 ZINC001139616890 1377918967 /nfs/dbraw/zinc/91/89/67/1377918967.db2.gz SAHXYRAXZZKQET-CQSZACIVSA-N 1 2 338.835 3.225 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(OC)c2)C1 ZINC001139616890 1377918970 /nfs/dbraw/zinc/91/89/70/1377918970.db2.gz SAHXYRAXZZKQET-CQSZACIVSA-N 1 2 338.835 3.225 20 30 EGEDLO CCOc1cccc(N2CC[NH+](Cc3cc(C#N)ccc3F)CC2)c1 ZINC001139649568 1377926432 /nfs/dbraw/zinc/92/64/32/1377926432.db2.gz OQCRBFIWWOARGW-UHFFFAOYSA-N 1 2 339.414 3.418 20 30 EGEDLO CCN1C(=O)CCC12CC[NH+](Cc1cccc(Cl)c1C#N)CC2 ZINC001139688531 1377934701 /nfs/dbraw/zinc/93/47/01/1377934701.db2.gz OOBOFYWWEJJBAB-UHFFFAOYSA-N 1 2 331.847 3.189 20 30 EGEDLO N#Cc1c(Cl)cccc1C[N@H+]1CCCN(c2ccc(F)cn2)CC1 ZINC001139689712 1377935120 /nfs/dbraw/zinc/93/51/20/1377935120.db2.gz KPKCIMKWKYJWIJ-UHFFFAOYSA-N 1 2 344.821 3.458 20 30 EGEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CCCN(c2ccc(F)cn2)CC1 ZINC001139689712 1377935121 /nfs/dbraw/zinc/93/51/21/1377935121.db2.gz KPKCIMKWKYJWIJ-UHFFFAOYSA-N 1 2 344.821 3.458 20 30 EGEDLO CCOc1ccc(N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)cc1 ZINC001140140156 1378018783 /nfs/dbraw/zinc/01/87/83/1378018783.db2.gz UZBIMAMDNFNTAZ-UHFFFAOYSA-N 1 2 339.414 3.418 20 30 EGEDLO N#Cc1cccc(N2CC[NH+](Cc3ccnn3-c3ccccc3)CC2)c1 ZINC001140531716 1378079731 /nfs/dbraw/zinc/07/97/31/1378079731.db2.gz URUOZQZCFORRMN-UHFFFAOYSA-N 1 2 343.434 3.066 20 30 EGEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccnc1Cl ZINC001273192470 1378092087 /nfs/dbraw/zinc/09/20/87/1378092087.db2.gz FFVSWGXDFRJEKZ-SFHVURJKSA-N 1 2 333.863 3.268 20 30 EGEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cccnc1Cl ZINC001273192470 1378092089 /nfs/dbraw/zinc/09/20/89/1378092089.db2.gz FFVSWGXDFRJEKZ-SFHVURJKSA-N 1 2 333.863 3.268 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(F)cc1C ZINC001140780235 1378134503 /nfs/dbraw/zinc/13/45/03/1378134503.db2.gz RZLQZNBXZSVFSD-SFHVURJKSA-N 1 2 329.419 3.170 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(F)cc1C ZINC001140780235 1378134505 /nfs/dbraw/zinc/13/45/05/1378134505.db2.gz RZLQZNBXZSVFSD-SFHVURJKSA-N 1 2 329.419 3.170 20 30 EGEDLO N#Cc1cccc(C[NH+]2CCN(c3ccc(O)cc3)CC2)c1Cl ZINC001140808634 1378147966 /nfs/dbraw/zinc/14/79/66/1378147966.db2.gz XOPFWABLIBNGKZ-UHFFFAOYSA-N 1 2 327.815 3.239 20 30 EGEDLO COC(=O)c1cccc(C[N@H+](C)Cc2sc(N)c(C#N)c2Cl)c1 ZINC001141112480 1378242590 /nfs/dbraw/zinc/24/25/90/1378242590.db2.gz CCLNGVGWCDVFEL-UHFFFAOYSA-N 1 2 349.843 3.274 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2sc(N)c(C#N)c2Cl)c1 ZINC001141112480 1378242593 /nfs/dbraw/zinc/24/25/93/1378242593.db2.gz CCLNGVGWCDVFEL-UHFFFAOYSA-N 1 2 349.843 3.274 20 30 EGEDLO OC[C@@H]1C[C@H](F)C[N@H+](Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001141972354 1378400348 /nfs/dbraw/zinc/40/03/48/1378400348.db2.gz HZWIKEIMVIISLQ-SJORKVTESA-N 1 2 329.440 3.300 20 30 EGEDLO OC[C@@H]1C[C@H](F)C[N@@H+](Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001141972354 1378400349 /nfs/dbraw/zinc/40/03/49/1378400349.db2.gz HZWIKEIMVIISLQ-SJORKVTESA-N 1 2 329.440 3.300 20 30 EGEDLO Cc1ncc(C#N)cc1NC(=O)/C=C/c1ccc(Cn2cc[nH+]c2)cc1 ZINC001142365099 1378436129 /nfs/dbraw/zinc/43/61/29/1378436129.db2.gz ALYONYGPTSPGCW-VOTSOKGWSA-N 1 2 343.390 3.158 20 30 EGEDLO Cc1coc(NC(=O)/C=C/c2ccc(Cn3cc[nH+]c3)cc2)c1C#N ZINC001142365513 1378436142 /nfs/dbraw/zinc/43/61/42/1378436142.db2.gz LEDNWVMJXAHTOD-VOTSOKGWSA-N 1 2 332.363 3.356 20 30 EGEDLO N#Cc1ccc(F)c(CN2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c1F ZINC001143178565 1378554349 /nfs/dbraw/zinc/55/43/49/1378554349.db2.gz HXWLKHYBYUOTHR-HNNXBMFYSA-N 1 2 341.352 3.142 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2cccc(C3CC3)c2)C1 ZINC001282726429 1378580337 /nfs/dbraw/zinc/58/03/37/1378580337.db2.gz VPNYMYUDUOTBDM-CQSZACIVSA-N 1 2 332.875 3.296 20 30 EGEDLO Cc1cc(F)cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC001143618674 1378625781 /nfs/dbraw/zinc/62/57/81/1378625781.db2.gz CQOMDBXCZCEQBF-UHFFFAOYSA-N 1 2 327.378 3.467 20 30 EGEDLO C=CCCC(=O)N1CC2(C1)CC[N@@H+](Cc1ccn(C(CC)CC)n1)C2 ZINC001147166562 1378980795 /nfs/dbraw/zinc/98/07/95/1378980795.db2.gz ZDCOJJFUGZNRSO-UHFFFAOYSA-N 1 2 344.503 3.245 20 30 EGEDLO C=CCCC(=O)N1CC2(C1)CC[N@H+](Cc1ccn(C(CC)CC)n1)C2 ZINC001147166562 1378980799 /nfs/dbraw/zinc/98/07/99/1378980799.db2.gz ZDCOJJFUGZNRSO-UHFFFAOYSA-N 1 2 344.503 3.245 20 30 EGEDLO C=CCCCC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nc(C(C)C)no1)C2 ZINC001148181586 1379129685 /nfs/dbraw/zinc/12/96/85/1379129685.db2.gz PVCJTQKQEKMPJJ-HNNXBMFYSA-N 1 2 346.475 3.145 20 30 EGEDLO C=CCCCC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nc(C(C)C)no1)C2 ZINC001148181586 1379129686 /nfs/dbraw/zinc/12/96/86/1379129686.db2.gz PVCJTQKQEKMPJJ-HNNXBMFYSA-N 1 2 346.475 3.145 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@H]1C[N@H+](CC=C(Cl)Cl)CCCO1 ZINC001150370988 1379539899 /nfs/dbraw/zinc/53/98/99/1379539899.db2.gz DXMDGYZNHUKUQT-ZDUSSCGKSA-N 1 2 349.302 3.115 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@H]1C[N@@H+](CC=C(Cl)Cl)CCCO1 ZINC001150370988 1379539903 /nfs/dbraw/zinc/53/99/03/1379539903.db2.gz DXMDGYZNHUKUQT-ZDUSSCGKSA-N 1 2 349.302 3.115 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](CC)CC(C)C)C1 ZINC001150562937 1379569616 /nfs/dbraw/zinc/56/96/16/1379569616.db2.gz UQSSCBJBFIKFNF-JKSUJKDBSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H](CC)CC(C)C)C1 ZINC001150562937 1379569619 /nfs/dbraw/zinc/56/96/19/1379569619.db2.gz UQSSCBJBFIKFNF-JKSUJKDBSA-N 1 2 330.900 3.018 20 30 EGEDLO C=CCCC(=O)NC1(CCOC)CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC001151014687 1379649219 /nfs/dbraw/zinc/64/92/19/1379649219.db2.gz WSHPMGGUQWAAQI-WYMLVPIESA-N 1 2 349.302 3.259 20 30 EGEDLO C=C[C@H](CC(=O)NCC[NH2+][C@H](C)c1ncc(C)o1)c1ccccc1 ZINC001151945850 1379822507 /nfs/dbraw/zinc/82/25/07/1379822507.db2.gz CMBAHFHZLZEKIM-HZPDHXFCSA-N 1 2 327.428 3.110 20 30 EGEDLO N#Cc1ccc(O[C@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001151972208 1379828545 /nfs/dbraw/zinc/82/85/45/1379828545.db2.gz VEEWWQRCLWFIJA-KRWDZBQOSA-N 1 2 346.390 3.118 20 30 EGEDLO CC(C)N(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@@H]1C[C@H]1C ZINC001284545418 1379953857 /nfs/dbraw/zinc/95/38/57/1379953857.db2.gz PCKKWMGIUGCGKY-RHSMWYFYSA-N 1 2 331.435 3.022 20 30 EGEDLO CC(C)N(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@@H]1C[C@H]1C ZINC001284545418 1379953860 /nfs/dbraw/zinc/95/38/60/1379953860.db2.gz PCKKWMGIUGCGKY-RHSMWYFYSA-N 1 2 331.435 3.022 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C1C(C)(C)C1(C)C ZINC001152604823 1379956366 /nfs/dbraw/zinc/95/63/66/1379956366.db2.gz VJOREVYRUFYMMH-GFCCVEGCSA-N 1 2 345.325 3.404 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C1C(C)(C)C1(C)C ZINC001152604823 1379956368 /nfs/dbraw/zinc/95/63/68/1379956368.db2.gz VJOREVYRUFYMMH-GFCCVEGCSA-N 1 2 345.325 3.404 20 30 EGEDLO CC[N@H+](Cc1c(F)cccc1Cl)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153232546 1380040925 /nfs/dbraw/zinc/04/09/25/1380040925.db2.gz HUBZFTSAXLRXAA-CYBMUJFWSA-N 1 2 336.838 3.219 20 30 EGEDLO CC[N@@H+](Cc1c(F)cccc1Cl)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153232546 1380040926 /nfs/dbraw/zinc/04/09/26/1380040926.db2.gz HUBZFTSAXLRXAA-CYBMUJFWSA-N 1 2 336.838 3.219 20 30 EGEDLO CC[N@H+](Cc1nc(C(C)(C)C)cs1)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153281578 1380048140 /nfs/dbraw/zinc/04/81/40/1380048140.db2.gz UXWCGIGXCXVBIO-CQSZACIVSA-N 1 2 347.528 3.181 20 30 EGEDLO CC[N@@H+](Cc1nc(C(C)(C)C)cs1)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153281578 1380048149 /nfs/dbraw/zinc/04/81/49/1380048149.db2.gz UXWCGIGXCXVBIO-CQSZACIVSA-N 1 2 347.528 3.181 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@H+](CC)CC(=C)Br ZINC001153594756 1380100195 /nfs/dbraw/zinc/10/01/95/1380100195.db2.gz QPAMUVKMDJNYEO-CYBMUJFWSA-N 1 2 331.298 3.324 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)Br ZINC001153594756 1380100198 /nfs/dbraw/zinc/10/01/98/1380100198.db2.gz QPAMUVKMDJNYEO-CYBMUJFWSA-N 1 2 331.298 3.324 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1occc1Cl ZINC001155085481 1380405335 /nfs/dbraw/zinc/40/53/35/1380405335.db2.gz MWXVHQIFAIDRHY-SNVBAGLBSA-N 1 2 349.656 3.282 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1occc1Cl ZINC001155085481 1380405336 /nfs/dbraw/zinc/40/53/36/1380405336.db2.gz MWXVHQIFAIDRHY-SNVBAGLBSA-N 1 2 349.656 3.282 20 30 EGEDLO Cc1nc(N2CC[N@@H+]3CCc4ccccc4[C@@H]3C2)c(Cl)cc1C#N ZINC001155102693 1380408956 /nfs/dbraw/zinc/40/89/56/1380408956.db2.gz COMVBYDVKPTNGF-SFHVURJKSA-N 1 2 338.842 3.335 20 30 EGEDLO Cc1nc(N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)c(Cl)cc1C#N ZINC001155102693 1380408957 /nfs/dbraw/zinc/40/89/57/1380408957.db2.gz COMVBYDVKPTNGF-SFHVURJKSA-N 1 2 338.842 3.335 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C(C1CC1)C1CC1 ZINC001156276967 1380551908 /nfs/dbraw/zinc/55/19/08/1380551908.db2.gz MCADQCGSOOMQFW-GFCCVEGCSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C(C1CC1)C1CC1 ZINC001156276967 1380551909 /nfs/dbraw/zinc/55/19/09/1380551909.db2.gz MCADQCGSOOMQFW-GFCCVEGCSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C)o1)c1ccccc1 ZINC001157046739 1380758800 /nfs/dbraw/zinc/75/88/00/1380758800.db2.gz FDJYJPRDXJPFFP-QAPCUYQASA-N 1 2 341.455 3.279 20 30 EGEDLO C=C[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C)o1)c1ccccc1 ZINC001157046739 1380758806 /nfs/dbraw/zinc/75/88/06/1380758806.db2.gz FDJYJPRDXJPFFP-QAPCUYQASA-N 1 2 341.455 3.279 20 30 EGEDLO C=C[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1nocc1C)c1ccccc1 ZINC001157052930 1380761707 /nfs/dbraw/zinc/76/17/07/1380761707.db2.gz HXGALGMYIKGSDP-SJLPKXTDSA-N 1 2 341.455 3.279 20 30 EGEDLO C=C[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nocc1C)c1ccccc1 ZINC001157052930 1380761709 /nfs/dbraw/zinc/76/17/09/1380761709.db2.gz HXGALGMYIKGSDP-SJLPKXTDSA-N 1 2 341.455 3.279 20 30 EGEDLO CC(=O)OC[C@@H]1CCC2(C1)CCN(c1cc(CC#N)cc[nH+]1)CC2 ZINC001157681364 1381000482 /nfs/dbraw/zinc/00/04/82/1381000482.db2.gz RJONQWJYUBIITJ-QGZVFWFLSA-N 1 2 327.428 3.097 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC001158011728 1381102513 /nfs/dbraw/zinc/10/25/13/1381102513.db2.gz MSEXURZTEUFBFS-GDBMZVCRSA-N 1 2 334.464 3.108 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@H](C)c1nc(C)no1 ZINC001158011728 1381102516 /nfs/dbraw/zinc/10/25/16/1381102516.db2.gz MSEXURZTEUFBFS-GDBMZVCRSA-N 1 2 334.464 3.108 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@@H](C)c1nnc(C)o1 ZINC001158011875 1381102657 /nfs/dbraw/zinc/10/26/57/1381102657.db2.gz SPKBTQUNUWICMD-GOEBONIOSA-N 1 2 334.464 3.108 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@@H](C)c1nnc(C)o1 ZINC001158011875 1381102661 /nfs/dbraw/zinc/10/26/61/1381102661.db2.gz SPKBTQUNUWICMD-GOEBONIOSA-N 1 2 334.464 3.108 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1CC ZINC001158512544 1381275458 /nfs/dbraw/zinc/27/54/58/1381275458.db2.gz RESMXBUUNMFVFG-RBSFLKMASA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1CC ZINC001158512544 1381275460 /nfs/dbraw/zinc/27/54/60/1381275460.db2.gz RESMXBUUNMFVFG-RBSFLKMASA-N 1 2 343.309 3.254 20 30 EGEDLO C=CCCC(=O)NCCC1=CC[N@H+](Cc2ncc(C3CC3)o2)CC1 ZINC001159538819 1381821985 /nfs/dbraw/zinc/82/19/85/1381821985.db2.gz NIUQHSFZPHVSAE-UHFFFAOYSA-N 1 2 329.444 3.157 20 30 EGEDLO C=CCCC(=O)NCCC1=CC[N@@H+](Cc2ncc(C3CC3)o2)CC1 ZINC001159538819 1381821987 /nfs/dbraw/zinc/82/19/87/1381821987.db2.gz NIUQHSFZPHVSAE-UHFFFAOYSA-N 1 2 329.444 3.157 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCC1=CC[N@H+](Cc2cscn2)CC1 ZINC001160940302 1382243344 /nfs/dbraw/zinc/24/33/44/1382243344.db2.gz BHZDDHRAWONZJW-LSDHHAIUSA-N 1 2 333.501 3.240 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCC1=CC[N@@H+](Cc2cscn2)CC1 ZINC001160940302 1382243350 /nfs/dbraw/zinc/24/33/50/1382243350.db2.gz BHZDDHRAWONZJW-LSDHHAIUSA-N 1 2 333.501 3.240 20 30 EGEDLO C=CCCCC(=O)NCCC1=CC[N@H+](CC(=C)Br)CC1 ZINC001161056668 1382286016 /nfs/dbraw/zinc/28/60/16/1382286016.db2.gz NLQCXRKRAFBTQF-UHFFFAOYSA-N 1 2 341.293 3.390 20 30 EGEDLO C=CCCCC(=O)NCCC1=CC[N@@H+](CC(=C)Br)CC1 ZINC001161056668 1382286021 /nfs/dbraw/zinc/28/60/21/1382286021.db2.gz NLQCXRKRAFBTQF-UHFFFAOYSA-N 1 2 341.293 3.390 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@@H+]([C@@H](C)c2ncccn2)CC1 ZINC001161116235 1382304464 /nfs/dbraw/zinc/30/44/64/1382304464.db2.gz CCSLCFSSEHOKHV-JXFKEZNVSA-N 1 2 342.487 3.278 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@H+]([C@@H](C)c2ncccn2)CC1 ZINC001161116235 1382304470 /nfs/dbraw/zinc/30/44/70/1382304470.db2.gz CCSLCFSSEHOKHV-JXFKEZNVSA-N 1 2 342.487 3.278 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001161121698 1382307926 /nfs/dbraw/zinc/30/79/26/1382307926.db2.gz QLRDWZIERSVNGC-IFXJQAMLSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@H+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001161121698 1382307929 /nfs/dbraw/zinc/30/79/29/1382307929.db2.gz QLRDWZIERSVNGC-IFXJQAMLSA-N 1 2 346.475 3.180 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1=CC[N@H+](Cc2nccc(C)n2)CC1 ZINC001161335606 1382373511 /nfs/dbraw/zinc/37/35/11/1382373511.db2.gz AHBSOWGTBPTDGJ-UHFFFAOYSA-N 1 2 342.487 3.026 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2nccc(C)n2)CC1 ZINC001161335606 1382373514 /nfs/dbraw/zinc/37/35/14/1382373514.db2.gz AHBSOWGTBPTDGJ-UHFFFAOYSA-N 1 2 342.487 3.026 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1=CC[N@H+]([C@@H](C)c2ncccn2)CC1 ZINC001161343593 1382375849 /nfs/dbraw/zinc/37/58/49/1382375849.db2.gz LDHOMBQVCRJIJR-INIZCTEOSA-N 1 2 342.487 3.278 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1=CC[N@@H+]([C@@H](C)c2ncccn2)CC1 ZINC001161343593 1382375852 /nfs/dbraw/zinc/37/58/52/1382375852.db2.gz LDHOMBQVCRJIJR-INIZCTEOSA-N 1 2 342.487 3.278 20 30 EGEDLO Cc1ccc(C2(CNc3[nH+]cc(C)cc3/C=N/O)CCOCC2)nc1 ZINC001162144762 1382639273 /nfs/dbraw/zinc/63/92/73/1382639273.db2.gz GBKZXUHMHDAGKM-FSJBWODESA-N 1 2 340.427 3.062 20 30 EGEDLO C=CCOC(=O)N1CCC2(CN(c3[nH+]ccc4ccccc43)C2)CC1 ZINC001163861324 1383130648 /nfs/dbraw/zinc/13/06/48/1383130648.db2.gz FIGFBGXTONBDNY-UHFFFAOYSA-N 1 2 337.423 3.460 20 30 EGEDLO N#Cc1ccc2c(c1)CCN2C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC001299233609 1383490712 /nfs/dbraw/zinc/49/07/12/1383490712.db2.gz WAGQKNRCGFSECR-SFHVURJKSA-N 1 2 342.402 3.393 20 30 EGEDLO C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001167167800 1383556651 /nfs/dbraw/zinc/55/66/51/1383556651.db2.gz QHDVSMJTLXOBBK-HZPDHXFCSA-N 1 2 344.503 3.060 20 30 EGEDLO CCCCCCCCOC(=O)C[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC001169914742 1384198111 /nfs/dbraw/zinc/19/81/11/1384198111.db2.gz BPEALGOHSDPNRY-INIZCTEOSA-N 1 2 327.465 3.165 20 30 EGEDLO COc1cc(C[NH+]2CCOCC2)ccc1NCc1ccc(C#N)s1 ZINC001170201782 1384262689 /nfs/dbraw/zinc/26/26/89/1384262689.db2.gz LNPOZMZVJZAVDH-UHFFFAOYSA-N 1 2 343.452 3.073 20 30 EGEDLO C=CCOC(=O)[C@@H](N)CCCCNc1[nH+]ccc2cc(C)ccc21 ZINC001171068648 1384440702 /nfs/dbraw/zinc/44/07/02/1384440702.db2.gz PKTXFAXAMPFUKD-KRWDZBQOSA-N 1 2 327.428 3.182 20 30 EGEDLO CCCN(C(=O)[C@H](C)C#N)C1CC[NH+](Cc2ncc(C(C)C)o2)CC1 ZINC001317004277 1384763360 /nfs/dbraw/zinc/76/33/60/1384763360.db2.gz RKGJVHBOPVWABK-OAHLLOKOSA-N 1 2 346.475 3.161 20 30 EGEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCn2cc(C(F)(F)F)nc2C1 ZINC001172306361 1384764802 /nfs/dbraw/zinc/76/48/02/1384764802.db2.gz JTKRCCARVNVLDZ-LBPRGKRZSA-N 1 2 334.345 3.220 20 30 EGEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCn2cc(C(F)(F)F)nc2C1 ZINC001172306361 1384764804 /nfs/dbraw/zinc/76/48/04/1384764804.db2.gz JTKRCCARVNVLDZ-LBPRGKRZSA-N 1 2 334.345 3.220 20 30 EGEDLO C#CC[NH+]1CCN([C@H](C)CCc2c(F)cc(Cl)cc2F)CC1 ZINC001172577395 1384814148 /nfs/dbraw/zinc/81/41/48/1384814148.db2.gz IXKFQDHNBWYYCC-CYBMUJFWSA-N 1 2 326.818 3.190 20 30 EGEDLO Cc1cc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)ccc1C#N ZINC001174434290 1385108386 /nfs/dbraw/zinc/10/83/86/1385108386.db2.gz GZHWMKOAKNHVPO-UHFFFAOYSA-N 1 2 337.423 3.321 20 30 EGEDLO N#Cc1cc(F)ccc1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001174435128 1385108627 /nfs/dbraw/zinc/10/86/27/1385108627.db2.gz WBCHNHRATMQRES-UHFFFAOYSA-N 1 2 341.386 3.152 20 30 EGEDLO C=C(C)n1c2cc(-c3nn(C(C)C)c4nc[nH+]c(N)c34)ccc2oc1=N ZINC001174788113 1385148779 /nfs/dbraw/zinc/14/87/79/1385148779.db2.gz SVQLZPBUXOQESJ-UHFFFAOYSA-N 1 2 349.398 3.174 20 30 EGEDLO CC(C)(C)c1ccc2c(c1)CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C2 ZINC001318022704 1385609989 /nfs/dbraw/zinc/60/99/89/1385609989.db2.gz HGYMOMFKBKEXOW-OAQYLSRUSA-N 1 2 339.483 3.151 20 30 EGEDLO CC(C)(C)c1ccc2c(c1)CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C2 ZINC001318022704 1385609993 /nfs/dbraw/zinc/60/99/93/1385609993.db2.gz HGYMOMFKBKEXOW-OAQYLSRUSA-N 1 2 339.483 3.151 20 30 EGEDLO C=CCC1(C(=O)NCCC[NH2+]Cc2noc(C(C)C)n2)CCCCC1 ZINC001176785822 1385696622 /nfs/dbraw/zinc/69/66/22/1385696622.db2.gz OQSBUQMZWBOFOD-UHFFFAOYSA-N 1 2 348.491 3.316 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)CC(C)(C)C2CC2)C1 ZINC001318399841 1385672499 /nfs/dbraw/zinc/67/24/99/1385672499.db2.gz JRSOIVIBLSZPDD-AWEZNQCLSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)CC(C)(C)C2CC2)C1 ZINC001318399841 1385672501 /nfs/dbraw/zinc/67/25/01/1385672501.db2.gz JRSOIVIBLSZPDD-AWEZNQCLSA-N 1 2 343.309 3.254 20 30 EGEDLO C=CCCCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccs3)C[C@H]21 ZINC001176886629 1385732413 /nfs/dbraw/zinc/73/24/13/1385732413.db2.gz FGKAUTDNYAIYEW-IAGOWNOFSA-N 1 2 348.512 3.410 20 30 EGEDLO C=CCCCCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccs3)C[C@H]21 ZINC001176886629 1385732417 /nfs/dbraw/zinc/73/24/17/1385732417.db2.gz FGKAUTDNYAIYEW-IAGOWNOFSA-N 1 2 348.512 3.410 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@@H+](Cc3ccc(C)cc3C)[C@@H]2C1 ZINC001176955530 1385755111 /nfs/dbraw/zinc/75/51/11/1385755111.db2.gz VBOHIBJTZIFKOW-WOJBJXKFSA-N 1 2 342.483 3.071 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@H+](Cc3ccc(C)cc3C)[C@@H]2C1 ZINC001176955530 1385755114 /nfs/dbraw/zinc/75/51/14/1385755114.db2.gz VBOHIBJTZIFKOW-WOJBJXKFSA-N 1 2 342.483 3.071 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]2OCC[N@H+](Cc3cccc(C)c3)[C@H]2C1 ZINC001177025427 1385776989 /nfs/dbraw/zinc/77/69/89/1385776989.db2.gz QKLFXPSIHAFIJL-PMACEKPBSA-N 1 2 342.483 3.153 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]2OCC[N@@H+](Cc3cccc(C)c3)[C@H]2C1 ZINC001177025427 1385776994 /nfs/dbraw/zinc/77/69/94/1385776994.db2.gz QKLFXPSIHAFIJL-PMACEKPBSA-N 1 2 342.483 3.153 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2OCC[N@@H+](Cc3cccc(C)c3)[C@@H]2C1 ZINC001177073776 1385796188 /nfs/dbraw/zinc/79/61/88/1385796188.db2.gz SJGGTOAPXGFPLF-WOJBJXKFSA-N 1 2 342.483 3.153 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2OCC[N@H+](Cc3cccc(C)c3)[C@@H]2C1 ZINC001177073776 1385796190 /nfs/dbraw/zinc/79/61/90/1385796190.db2.gz SJGGTOAPXGFPLF-WOJBJXKFSA-N 1 2 342.483 3.153 20 30 EGEDLO C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)C(F)C(F)(F)F ZINC001177323988 1385914755 /nfs/dbraw/zinc/91/47/55/1385914755.db2.gz MRYZNXYJDMTAKF-AWEZNQCLSA-N 1 2 338.389 3.461 20 30 EGEDLO C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](F)C(F)(F)F ZINC001177323988 1385914757 /nfs/dbraw/zinc/91/47/57/1385914757.db2.gz MRYZNXYJDMTAKF-AWEZNQCLSA-N 1 2 338.389 3.461 20 30 EGEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)C(C)(C)C1CC1 ZINC001320035249 1386466642 /nfs/dbraw/zinc/46/66/42/1386466642.db2.gz QQTXNKMMMDWKIW-UHFFFAOYSA-N 1 2 331.435 3.024 20 30 EGEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)C(C)(C)C1CC1 ZINC001320035249 1386466645 /nfs/dbraw/zinc/46/66/45/1386466645.db2.gz QQTXNKMMMDWKIW-UHFFFAOYSA-N 1 2 331.435 3.024 20 30 EGEDLO C#CC[N@@H+](Cc1cc(OC)c(OC)cc1Br)CC1CC1 ZINC001320134867 1386531037 /nfs/dbraw/zinc/53/10/37/1386531037.db2.gz IOTZYWRIJSHHCD-UHFFFAOYSA-N 1 2 338.245 3.312 20 30 EGEDLO C#CC[N@H+](Cc1cc(OC)c(OC)cc1Br)CC1CC1 ZINC001320134867 1386531040 /nfs/dbraw/zinc/53/10/40/1386531040.db2.gz IOTZYWRIJSHHCD-UHFFFAOYSA-N 1 2 338.245 3.312 20 30 EGEDLO N#Cc1cccc(C[NH2+][C@H]2COc3cc(F)c(Br)cc32)n1 ZINC001181184064 1386953032 /nfs/dbraw/zinc/95/30/32/1386953032.db2.gz CJYATYZRTBJWNF-AWEZNQCLSA-N 1 2 348.175 3.078 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ncoc1-c1ccccc1 ZINC001322169824 1387086454 /nfs/dbraw/zinc/08/64/54/1387086454.db2.gz SYEGSOOTBQURPJ-CYBMUJFWSA-N 1 2 333.819 3.144 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ncoc1-c1ccccc1 ZINC001322169824 1387086458 /nfs/dbraw/zinc/08/64/58/1387086458.db2.gz SYEGSOOTBQURPJ-CYBMUJFWSA-N 1 2 333.819 3.144 20 30 EGEDLO CN(CCCn1cc[nH+]c1)c1ccc(C#N)c(Br)c1F ZINC001336560687 1389120170 /nfs/dbraw/zinc/12/01/70/1389120170.db2.gz IVHDXDLRUICUKZ-UHFFFAOYSA-N 1 2 337.196 3.183 20 30 EGEDLO CC[C@H]1[C@@H](C)CCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CC ZINC001340152998 1390237611 /nfs/dbraw/zinc/23/76/11/1390237611.db2.gz WMEXICMVOZLWLR-RDJZCZTQSA-N 1 2 344.507 3.016 20 30 EGEDLO C[NH+](C)Cc1cc(C(=O)N(O)Cc2cc(Cl)cc(Cl)c2)no1 ZINC001334072747 1390471647 /nfs/dbraw/zinc/47/16/47/1390471647.db2.gz TUGCCXCQSHDLOD-UHFFFAOYSA-N 1 2 344.198 3.075 20 30 EGEDLO Cc1cc(C)nc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1 ZINC001334662094 1390564554 /nfs/dbraw/zinc/56/45/54/1390564554.db2.gz OANWIRWOLPRZDK-HXUWFJFHSA-N 1 2 338.430 3.220 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1ccoc1 ZINC001342330896 1390601876 /nfs/dbraw/zinc/60/18/76/1390601876.db2.gz WWMZAXFSKRKVCB-INIZCTEOSA-N 1 2 329.448 3.240 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)Cc1ccoc1 ZINC001342330896 1390601877 /nfs/dbraw/zinc/60/18/77/1390601877.db2.gz WWMZAXFSKRKVCB-INIZCTEOSA-N 1 2 329.448 3.240 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC001342980048 1390680191 /nfs/dbraw/zinc/68/01/91/1390680191.db2.gz SIXIZGLBSXFQFD-IXDOHACOSA-N 1 2 329.492 3.247 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC001342980048 1390680193 /nfs/dbraw/zinc/68/01/93/1390680193.db2.gz SIXIZGLBSXFQFD-IXDOHACOSA-N 1 2 329.492 3.247 20 30 EGEDLO CCCCN(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC(C)C ZINC001343008383 1390683290 /nfs/dbraw/zinc/68/32/90/1390683290.db2.gz ATZCIVJRCXPSBY-UHFFFAOYSA-N 1 2 346.523 3.263 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]Cc2cccc3ccoc32)C1 ZINC001344070627 1390753520 /nfs/dbraw/zinc/75/35/20/1390753520.db2.gz VLVSYLHLVBQLLI-CVEARBPZSA-N 1 2 341.411 3.281 20 30 EGEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(CC)C1CCCCC1 ZINC001345993518 1390899379 /nfs/dbraw/zinc/89/93/79/1390899379.db2.gz CTAFXCLZELMCDE-UHFFFAOYSA-N 1 2 342.491 3.338 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCc2nc3ccccc3o2)C1 ZINC001479914297 1392482104 /nfs/dbraw/zinc/48/21/04/1392482104.db2.gz KQYRHBOCCQFKGM-AWEZNQCLSA-N 1 2 347.846 3.094 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCc2nc3ccccc3o2)C1 ZINC001479914297 1392482106 /nfs/dbraw/zinc/48/21/06/1392482106.db2.gz KQYRHBOCCQFKGM-AWEZNQCLSA-N 1 2 347.846 3.094 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)CCc1scnc1C ZINC001480330043 1392688627 /nfs/dbraw/zinc/68/86/27/1392688627.db2.gz GLPHHIYWPLHTGR-CQSZACIVSA-N 1 2 341.908 3.107 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCc1scnc1C ZINC001480330043 1392688628 /nfs/dbraw/zinc/68/86/28/1392688628.db2.gz GLPHHIYWPLHTGR-CQSZACIVSA-N 1 2 341.908 3.107 20 30 EGEDLO CC(C)[C@H](C)C(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001481187292 1393145278 /nfs/dbraw/zinc/14/52/78/1393145278.db2.gz IVVCKUWVLNFJJV-AWEZNQCLSA-N 1 2 331.435 3.070 20 30 EGEDLO CC(C)[C@H](C)C(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001481187292 1393145279 /nfs/dbraw/zinc/14/52/79/1393145279.db2.gz IVVCKUWVLNFJJV-AWEZNQCLSA-N 1 2 331.435 3.070 20 30 EGEDLO CCC[C@H](C)CC(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001481615115 1394421223 /nfs/dbraw/zinc/42/12/23/1394421223.db2.gz MKGSHMRSQLWVFM-AWEZNQCLSA-N 1 2 331.435 3.072 20 30 EGEDLO CCC(C)(C)CC(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001698987644 1406773465 /nfs/dbraw/zinc/77/34/65/1406773465.db2.gz BSPJOIGSWHXUFR-UHFFFAOYSA-N 1 2 333.451 3.414 20 30 EGEDLO CCC(C)(C)CC(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001698987644 1406773468 /nfs/dbraw/zinc/77/34/68/1406773468.db2.gz BSPJOIGSWHXUFR-UHFFFAOYSA-N 1 2 333.451 3.414 20 30 EGEDLO CCC(C)(CC)C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001699004652 1406825463 /nfs/dbraw/zinc/82/54/63/1406825463.db2.gz WYSKQEJPTQMVHH-UHFFFAOYSA-N 1 2 333.451 3.414 20 30 EGEDLO CCC(C)(CC)C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001699004652 1406825468 /nfs/dbraw/zinc/82/54/68/1406825468.db2.gz WYSKQEJPTQMVHH-UHFFFAOYSA-N 1 2 333.451 3.414 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1CCc2c1cccc2Cl ZINC001690963526 1404872225 /nfs/dbraw/zinc/87/22/25/1404872225.db2.gz ZDHULQSOIZKAPV-CQSZACIVSA-N 1 2 327.255 3.170 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1CCc2c1cccc2Cl ZINC001690963526 1404872229 /nfs/dbraw/zinc/87/22/29/1404872229.db2.gz ZDHULQSOIZKAPV-CQSZACIVSA-N 1 2 327.255 3.170 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)CCC2CCCC2)C1 ZINC001699814944 1413232563 /nfs/dbraw/zinc/23/25/63/1413232563.db2.gz ZTXBITVXAIMJCW-INIZCTEOSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)CCC2CCCC2)C1 ZINC001699814944 1413232566 /nfs/dbraw/zinc/23/25/66/1413232566.db2.gz ZTXBITVXAIMJCW-INIZCTEOSA-N 1 2 343.309 3.446 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)c1cccc(F)c1 ZINC001732578002 1428780682 /nfs/dbraw/zinc/78/06/82/1428780682.db2.gz ZHTSNHGKRGUROG-UHFFFAOYSA-N 1 2 343.377 3.040 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)c1cccc(F)c1 ZINC001732578002 1428780684 /nfs/dbraw/zinc/78/06/84/1428780684.db2.gz ZHTSNHGKRGUROG-UHFFFAOYSA-N 1 2 343.377 3.040 20 30 EGEDLO CCC(C)(CC)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccccc1C#N ZINC001707064359 1417179179 /nfs/dbraw/zinc/17/91/79/1417179179.db2.gz XBAXNRUSMCMWPU-GOSISDBHSA-N 1 2 327.472 3.417 20 30 EGEDLO CCC(C)(CC)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccccc1C#N ZINC001707064359 1417179181 /nfs/dbraw/zinc/17/91/81/1417179181.db2.gz XBAXNRUSMCMWPU-GOSISDBHSA-N 1 2 327.472 3.417 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc2c(s1)CCCCC2 ZINC001713475360 1418155936 /nfs/dbraw/zinc/15/59/36/1418155936.db2.gz UZEAZAUXYNAYJQ-UHFFFAOYSA-N 1 2 326.893 3.431 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc2c(s1)CCCCC2 ZINC001713475360 1418155938 /nfs/dbraw/zinc/15/59/38/1418155938.db2.gz UZEAZAUXYNAYJQ-UHFFFAOYSA-N 1 2 326.893 3.431 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc(C)nc2ccccc21)C1CC1 ZINC001713565688 1418375144 /nfs/dbraw/zinc/37/51/44/1418375144.db2.gz WNNIZFNBXQLWFI-UHFFFAOYSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc(C)nc2ccccc21)C1CC1 ZINC001713565688 1418375148 /nfs/dbraw/zinc/37/51/48/1418375148.db2.gz WNNIZFNBXQLWFI-UHFFFAOYSA-N 1 2 343.858 3.490 20 30 EGEDLO CCC[C@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001713781684 1418597854 /nfs/dbraw/zinc/59/78/54/1418597854.db2.gz IIGSLMKKCKRNSN-WMLDXEAASA-N 1 2 331.435 3.214 20 30 EGEDLO CCC[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001713781684 1418597856 /nfs/dbraw/zinc/59/78/56/1418597856.db2.gz IIGSLMKKCKRNSN-WMLDXEAASA-N 1 2 331.435 3.214 20 30 EGEDLO C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001713822363 1418623874 /nfs/dbraw/zinc/62/38/74/1418623874.db2.gz OMDGSHSHONDZRZ-UKRRQHHQSA-N 1 2 334.410 3.266 20 30 EGEDLO C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001713822363 1418623875 /nfs/dbraw/zinc/62/38/75/1418623875.db2.gz OMDGSHSHONDZRZ-UKRRQHHQSA-N 1 2 334.410 3.266 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](C)CCc2ccccc2F)C1 ZINC001713916791 1418711768 /nfs/dbraw/zinc/71/17/68/1418711768.db2.gz CZSNEBQRUDWFHG-CYBMUJFWSA-N 1 2 338.854 3.195 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H](C)OCCC(C)C)CC2 ZINC001714526018 1419252290 /nfs/dbraw/zinc/25/22/90/1419252290.db2.gz MFFUAWALPVSAKI-INIZCTEOSA-N 1 2 342.911 3.115 20 30 EGEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)C1(F)CCCCC1)C1CC1 ZINC001714675926 1419467935 /nfs/dbraw/zinc/46/79/35/1419467935.db2.gz YJTPJWHZZPLTCA-UHFFFAOYSA-N 1 2 343.446 3.311 20 30 EGEDLO N#Cc1ccccc1C[N@H+](CCNC(=O)C1(F)CCCCC1)C1CC1 ZINC001714675926 1419467937 /nfs/dbraw/zinc/46/79/37/1419467937.db2.gz YJTPJWHZZPLTCA-UHFFFAOYSA-N 1 2 343.446 3.311 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccccc1OC1CCC1 ZINC001716496430 1420720354 /nfs/dbraw/zinc/72/03/54/1420720354.db2.gz VCIOFZFQHHZNQG-CQSZACIVSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccccc1OC1CCC1 ZINC001716496430 1420720356 /nfs/dbraw/zinc/72/03/56/1420720356.db2.gz VCIOFZFQHHZNQG-CQSZACIVSA-N 1 2 336.863 3.421 20 30 EGEDLO C[C@@H](C#N)C(=O)NCc1ccc2c(c1)C[N@@H+](Cc1ccc(F)cc1)C2 ZINC001717269503 1421225068 /nfs/dbraw/zinc/22/50/68/1421225068.db2.gz PAUZSXPDCJGRRT-AWEZNQCLSA-N 1 2 337.398 3.117 20 30 EGEDLO C[C@@H](C#N)C(=O)NCc1ccc2c(c1)C[N@H+](Cc1ccc(F)cc1)C2 ZINC001717269503 1421225070 /nfs/dbraw/zinc/22/50/70/1421225070.db2.gz PAUZSXPDCJGRRT-AWEZNQCLSA-N 1 2 337.398 3.117 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1sc(C)nc1CC(C)C ZINC001717479927 1421414886 /nfs/dbraw/zinc/41/48/86/1421414886.db2.gz VJFGZSNSILRYAI-GFCCVEGCSA-N 1 2 343.924 3.453 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1sc(C)nc1CC(C)C ZINC001717479927 1421414888 /nfs/dbraw/zinc/41/48/88/1421414888.db2.gz VJFGZSNSILRYAI-GFCCVEGCSA-N 1 2 343.924 3.453 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2c[nH]c3cc(C)ccc23)C1 ZINC001717561984 1421497618 /nfs/dbraw/zinc/49/76/18/1421497618.db2.gz WUVQCAWDYVWXQW-CQSZACIVSA-N 1 2 345.874 3.208 20 30 EGEDLO C[C@H](NC(=O)C(C)(C)C1CC1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001725257031 1425882148 /nfs/dbraw/zinc/88/21/48/1425882148.db2.gz HECNSCQBUXFHHW-ZDUSSCGKSA-N 1 2 343.446 3.070 20 30 EGEDLO Cc1c2ccccc2oc1C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001731794703 1427944123 /nfs/dbraw/zinc/94/41/23/1427944123.db2.gz PLCJXFQBRJJEDK-UHFFFAOYSA-N 1 2 347.418 3.475 20 30 EGEDLO Cc1c2ccccc2oc1C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001731794703 1427944130 /nfs/dbraw/zinc/94/41/30/1427944130.db2.gz PLCJXFQBRJJEDK-UHFFFAOYSA-N 1 2 347.418 3.475 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1[nH]ccc1-c1ccccc1 ZINC001731814323 1428004065 /nfs/dbraw/zinc/00/40/65/1428004065.db2.gz UYLYAFZNGGDDMG-UHFFFAOYSA-N 1 2 331.847 3.486 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1[nH]ccc1-c1ccccc1 ZINC001731814323 1428004070 /nfs/dbraw/zinc/00/40/70/1428004070.db2.gz UYLYAFZNGGDDMG-UHFFFAOYSA-N 1 2 331.847 3.486 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)C1CCC1 ZINC001731827178 1428032522 /nfs/dbraw/zinc/03/25/22/1428032522.db2.gz LBYKJTYJGFLXAF-CQSZACIVSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)C1CCC1 ZINC001731827178 1428032526 /nfs/dbraw/zinc/03/25/26/1428032526.db2.gz LBYKJTYJGFLXAF-CQSZACIVSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc2ccc(OC)cc2[nH]1)C1CC1 ZINC001731882144 1428153579 /nfs/dbraw/zinc/15/35/79/1428153579.db2.gz YMXWPDYCUJQUTP-UHFFFAOYSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc2ccc(OC)cc2[nH]1)C1CC1 ZINC001731882144 1428153581 /nfs/dbraw/zinc/15/35/81/1428153581.db2.gz YMXWPDYCUJQUTP-UHFFFAOYSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001733778690 1430033803 /nfs/dbraw/zinc/03/38/03/1430033803.db2.gz MURGVQASPOMPGC-LSDHHAIUSA-N 1 2 343.309 3.112 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001733778690 1430033809 /nfs/dbraw/zinc/03/38/09/1430033809.db2.gz MURGVQASPOMPGC-LSDHHAIUSA-N 1 2 343.309 3.112 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1noc(CC)n1 ZINC001752146774 1440146318 /nfs/dbraw/zinc/14/63/18/1440146318.db2.gz PHZZEAJINQBJBA-GJZGRUSLSA-N 1 2 348.491 3.094 20 30 EGEDLO C=CCCCC(=O)N(CCC)C1CC[NH+]([C@H](C)c2nc(C)no2)CC1 ZINC001752439742 1440180881 /nfs/dbraw/zinc/18/08/81/1440180881.db2.gz NDDWMOFKGYXMNQ-OAHLLOKOSA-N 1 2 348.491 3.498 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2nc(CCCC)no2)C1 ZINC001752571934 1440195519 /nfs/dbraw/zinc/19/55/19/1440195519.db2.gz SLBPOEASVZDVLZ-GJZGRUSLSA-N 1 2 348.491 3.266 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CCCNC(=O)C(F)C(F)(F)F ZINC001753027066 1440271721 /nfs/dbraw/zinc/27/17/21/1440271721.db2.gz CFOFBCLMAOVQFK-WDEREUQCSA-N 1 2 330.753 3.000 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C(F)C(F)(F)F ZINC001753027066 1440271722 /nfs/dbraw/zinc/27/17/22/1440271722.db2.gz CFOFBCLMAOVQFK-WDEREUQCSA-N 1 2 330.753 3.000 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001753027066 1440271723 /nfs/dbraw/zinc/27/17/23/1440271723.db2.gz CFOFBCLMAOVQFK-WDEREUQCSA-N 1 2 330.753 3.000 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001753027066 1440271724 /nfs/dbraw/zinc/27/17/24/1440271724.db2.gz CFOFBCLMAOVQFK-WDEREUQCSA-N 1 2 330.753 3.000 20 30 EGEDLO CCc1ccc(C(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2F)s1 ZINC001753055092 1440281073 /nfs/dbraw/zinc/28/10/73/1440281073.db2.gz BLHLIODNBVKXBB-UHFFFAOYSA-N 1 2 345.443 3.183 20 30 EGEDLO CCc1ccc(C(=O)NCC[N@@H+](C)Cc2ccc(C#N)cc2F)s1 ZINC001753055092 1440281074 /nfs/dbraw/zinc/28/10/74/1440281074.db2.gz BLHLIODNBVKXBB-UHFFFAOYSA-N 1 2 345.443 3.183 20 30 EGEDLO C=C[C@@H](C(=O)NCC[N@@H+](CC)[C@H](C)c1ncc(C)o1)c1ccccc1 ZINC001753095210 1440302187 /nfs/dbraw/zinc/30/21/87/1440302187.db2.gz PTOJDPDZSRFEFK-SJLPKXTDSA-N 1 2 341.455 3.452 20 30 EGEDLO C=C[C@@H](C(=O)NCC[N@H+](CC)[C@H](C)c1ncc(C)o1)c1ccccc1 ZINC001753095210 1440302188 /nfs/dbraw/zinc/30/21/88/1440302188.db2.gz PTOJDPDZSRFEFK-SJLPKXTDSA-N 1 2 341.455 3.452 20 30 EGEDLO C=CCC1(C(=O)NC[C@H]2CCC[N@H+]2Cc2nc(C)oc2C)CCC1 ZINC001753111816 1440308696 /nfs/dbraw/zinc/30/86/96/1440308696.db2.gz POXLVOAIBGVQKO-MRXNPFEDSA-N 1 2 331.460 3.118 20 30 EGEDLO C=CCC1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2nc(C)oc2C)CCC1 ZINC001753111816 1440308697 /nfs/dbraw/zinc/30/86/97/1440308697.db2.gz POXLVOAIBGVQKO-MRXNPFEDSA-N 1 2 331.460 3.118 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@H]1CCC[N@H+]1Cc1ncoc1C(C)C ZINC001753114635 1440310629 /nfs/dbraw/zinc/31/06/29/1440310629.db2.gz XZIHCZNMQGCYMP-OAHLLOKOSA-N 1 2 333.476 3.481 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ncoc1C(C)C ZINC001753114635 1440310630 /nfs/dbraw/zinc/31/06/30/1440310630.db2.gz XZIHCZNMQGCYMP-OAHLLOKOSA-N 1 2 333.476 3.481 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+](CCNC(=O)c1cccs1)C1CC1 ZINC001753152083 1440328879 /nfs/dbraw/zinc/32/88/79/1440328879.db2.gz XDSISCDMAGICLB-UHFFFAOYSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+](CCNC(=O)c1cccs1)C1CC1 ZINC001753152083 1440328880 /nfs/dbraw/zinc/32/88/80/1440328880.db2.gz XDSISCDMAGICLB-UHFFFAOYSA-N 1 2 343.427 3.153 20 30 EGEDLO C[C@@H]1CCCC[C@H]1C(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1 ZINC001753158928 1440332561 /nfs/dbraw/zinc/33/25/61/1440332561.db2.gz AVKMYEWJADUARE-OXQOHEQNSA-N 1 2 339.483 3.465 20 30 EGEDLO C[C@@H]1CCCC[C@H]1C(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1 ZINC001753158928 1440332562 /nfs/dbraw/zinc/33/25/62/1440332562.db2.gz AVKMYEWJADUARE-OXQOHEQNSA-N 1 2 339.483 3.465 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCC[N@H+](Cc1nc(C)c(C)s1)C1CC1 ZINC001753159807 1440333089 /nfs/dbraw/zinc/33/30/89/1440333089.db2.gz XNXUWNXKUNFFEL-GOSISDBHSA-N 1 2 335.517 3.443 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCC[N@@H+](Cc1nc(C)c(C)s1)C1CC1 ZINC001753159807 1440333090 /nfs/dbraw/zinc/33/30/90/1440333090.db2.gz XNXUWNXKUNFFEL-GOSISDBHSA-N 1 2 335.517 3.443 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)Cc1coc2ccccc12)C1CC1 ZINC001753161494 1440334061 /nfs/dbraw/zinc/33/40/61/1440334061.db2.gz GPYJFMSHORRKSP-UHFFFAOYSA-N 1 2 332.831 3.308 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cc1coc2ccccc12)C1CC1 ZINC001753161494 1440334062 /nfs/dbraw/zinc/33/40/62/1440334062.db2.gz GPYJFMSHORRKSP-UHFFFAOYSA-N 1 2 332.831 3.308 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)COc1c(C)cccc1C)C1CC1 ZINC001753162723 1440335035 /nfs/dbraw/zinc/33/50/35/1440335035.db2.gz FYDSGOQKPWFZTG-UHFFFAOYSA-N 1 2 336.863 3.015 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)COc1c(C)cccc1C)C1CC1 ZINC001753162723 1440335036 /nfs/dbraw/zinc/33/50/36/1440335036.db2.gz FYDSGOQKPWFZTG-UHFFFAOYSA-N 1 2 336.863 3.015 20 30 EGEDLO C=CCCC(=O)N(CCC)[C@@H]1CC[N@H+](Cc2noc3c2CCCC3)C1 ZINC001753315213 1440359349 /nfs/dbraw/zinc/35/93/49/1440359349.db2.gz VORJFKAXEMSKRC-MRXNPFEDSA-N 1 2 345.487 3.333 20 30 EGEDLO C=CCCC(=O)N(CCC)[C@@H]1CC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001753315213 1440359350 /nfs/dbraw/zinc/35/93/50/1440359350.db2.gz VORJFKAXEMSKRC-MRXNPFEDSA-N 1 2 345.487 3.333 20 30 EGEDLO CCC[C@@H](C)CC(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001753396798 1440390395 /nfs/dbraw/zinc/39/03/95/1440390395.db2.gz BQZQFKYDYSOSMQ-CQSZACIVSA-N 1 2 331.435 3.072 20 30 EGEDLO CC#CCCCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC001753441383 1440401685 /nfs/dbraw/zinc/40/16/85/1440401685.db2.gz IHYGZFDOAMNJLC-MRXNPFEDSA-N 1 2 345.487 3.198 20 30 EGEDLO CC#CCCCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC001753441383 1440401686 /nfs/dbraw/zinc/40/16/86/1440401686.db2.gz IHYGZFDOAMNJLC-MRXNPFEDSA-N 1 2 345.487 3.198 20 30 EGEDLO C#CCCCCCC(=O)N(C)[C@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001753443566 1440402771 /nfs/dbraw/zinc/40/27/71/1440402771.db2.gz ZBLBOCYQSPXDST-INIZCTEOSA-N 1 2 333.501 3.068 20 30 EGEDLO C#CCCCCCC(=O)N(C)[C@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001753443566 1440402772 /nfs/dbraw/zinc/40/27/72/1440402772.db2.gz ZBLBOCYQSPXDST-INIZCTEOSA-N 1 2 333.501 3.068 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)C[C@@H]2OCc3ccccc32)C1 ZINC001753461240 1440410711 /nfs/dbraw/zinc/41/07/11/1440410711.db2.gz GZOGBQQHPNCHAA-AEFFLSMTSA-N 1 2 348.874 3.323 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@@H]2OCc3ccccc32)C1 ZINC001753461240 1440410712 /nfs/dbraw/zinc/41/07/12/1440410712.db2.gz GZOGBQQHPNCHAA-AEFFLSMTSA-N 1 2 348.874 3.323 20 30 EGEDLO C=CCCC(=O)NCc1ccc(C[NH2+][C@@H](C)c2ncc(C)o2)cc1 ZINC001753596412 1440444917 /nfs/dbraw/zinc/44/49/17/1440444917.db2.gz FGWDVLSUDIIWML-HNNXBMFYSA-N 1 2 327.428 3.416 20 30 EGEDLO C#CCCCCC(=O)N(C)CC[N@H+](C)Cc1sccc1Cl ZINC001753850858 1440506567 /nfs/dbraw/zinc/50/65/67/1440506567.db2.gz IZYVFFCBKASZAD-UHFFFAOYSA-N 1 2 326.893 3.485 20 30 EGEDLO C#CCCCCC(=O)N(C)CC[N@@H+](C)Cc1sccc1Cl ZINC001753850858 1440506568 /nfs/dbraw/zinc/50/65/68/1440506568.db2.gz IZYVFFCBKASZAD-UHFFFAOYSA-N 1 2 326.893 3.485 20 30 EGEDLO C=CC1(CC(=O)N[C@H](C)C[NH2+][C@H](C)c2nc(CC)no2)CCCCC1 ZINC001754245027 1440556590 /nfs/dbraw/zinc/55/65/90/1440556590.db2.gz MSJWDSRWYHBMCJ-HUUCEWRRSA-N 1 2 348.491 3.314 20 30 EGEDLO CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC([N@H+](CC#N)CC3CC3)CC2)C1(C)C ZINC001754548145 1440628645 /nfs/dbraw/zinc/62/86/45/1440628645.db2.gz GHWNUZYOTVZWGI-MOPGFXCFSA-N 1 2 343.515 3.451 20 30 EGEDLO CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC([N@@H+](CC#N)CC3CC3)CC2)C1(C)C ZINC001754548145 1440628646 /nfs/dbraw/zinc/62/86/46/1440628646.db2.gz GHWNUZYOTVZWGI-MOPGFXCFSA-N 1 2 343.515 3.451 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H](C[NH2+][C@@H](C)c1noc(C)n1)C1CCCC1 ZINC001754654175 1440652989 /nfs/dbraw/zinc/65/29/89/1440652989.db2.gz CZPCZMSOEFZXPT-BBRMVZONSA-N 1 2 348.491 3.306 20 30 EGEDLO CC(C)C#CC(=O)N[C@]1(C)CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC001754671204 1440657956 /nfs/dbraw/zinc/65/79/56/1440657956.db2.gz WHGVXSZSGDXPIW-GOSISDBHSA-N 1 2 336.838 3.219 20 30 EGEDLO CC(C)C#CC(=O)N[C@]1(C)CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC001754671204 1440657957 /nfs/dbraw/zinc/65/79/57/1440657957.db2.gz WHGVXSZSGDXPIW-GOSISDBHSA-N 1 2 336.838 3.219 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001754682952 1440663408 /nfs/dbraw/zinc/66/34/08/1440663408.db2.gz PTXMZDXJQMCWJK-YVEFUNNKSA-N 1 2 342.817 3.401 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001754682952 1440663409 /nfs/dbraw/zinc/66/34/09/1440663409.db2.gz PTXMZDXJQMCWJK-YVEFUNNKSA-N 1 2 342.817 3.401 20 30 EGEDLO C=C(Cl)C[N@@H+](C)Cc1ccccc1CNC(=O)Cc1cccnc1 ZINC001754945630 1440712729 /nfs/dbraw/zinc/71/27/29/1440712729.db2.gz CYGQKAYSIHZQQT-UHFFFAOYSA-N 1 2 343.858 3.125 20 30 EGEDLO C=C(Cl)C[N@H+](C)Cc1ccccc1CNC(=O)Cc1cccnc1 ZINC001754945630 1440712730 /nfs/dbraw/zinc/71/27/30/1440712730.db2.gz CYGQKAYSIHZQQT-UHFFFAOYSA-N 1 2 343.858 3.125 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2csnn2)CC1 ZINC001755025403 1440728639 /nfs/dbraw/zinc/72/86/39/1440728639.db2.gz UCOGQHRTGGRRTN-ZIAGYGMSSA-N 1 2 336.505 3.172 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2csnn2)CC1 ZINC001755025403 1440728640 /nfs/dbraw/zinc/72/86/40/1440728640.db2.gz UCOGQHRTGGRRTN-ZIAGYGMSSA-N 1 2 336.505 3.172 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N(C)CCC[N@H+](C)Cc1nc(C2CCC2)no1 ZINC001755041588 1440737524 /nfs/dbraw/zinc/73/75/24/1440737524.db2.gz SOFXOKRMKQFQQK-UHFFFAOYSA-N 1 2 348.491 3.220 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N(C)CCC[N@@H+](C)Cc1nc(C2CCC2)no1 ZINC001755041588 1440737525 /nfs/dbraw/zinc/73/75/25/1440737525.db2.gz SOFXOKRMKQFQQK-UHFFFAOYSA-N 1 2 348.491 3.220 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)C3(CC#C)CCCCC3)cc2C1 ZINC001755101459 1440752678 /nfs/dbraw/zinc/75/26/78/1440752678.db2.gz HZITUTBBKCAUBN-UHFFFAOYSA-N 1 2 334.463 3.225 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)C3(CC#C)CCCCC3)cc2C1 ZINC001755101459 1440752679 /nfs/dbraw/zinc/75/26/79/1440752679.db2.gz HZITUTBBKCAUBN-UHFFFAOYSA-N 1 2 334.463 3.225 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)CC1(C)C ZINC001755138739 1440759459 /nfs/dbraw/zinc/75/94/59/1440759459.db2.gz OSRREARNEIXTDF-KRWDZBQOSA-N 1 2 343.471 3.072 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[N@H+](Cc2ncc(C3CC3)o2)CC1(C)C ZINC001755138739 1440759460 /nfs/dbraw/zinc/75/94/60/1440759460.db2.gz OSRREARNEIXTDF-KRWDZBQOSA-N 1 2 343.471 3.072 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)/C=C(/C)CC ZINC001755192483 1440775399 /nfs/dbraw/zinc/77/53/99/1440775399.db2.gz GLPIQNNKQMWCCQ-UQTJOTSZSA-N 1 2 329.282 3.174 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)/C=C(/C)CC ZINC001755192483 1440775400 /nfs/dbraw/zinc/77/54/00/1440775400.db2.gz GLPIQNNKQMWCCQ-UQTJOTSZSA-N 1 2 329.282 3.174 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc(Cl)c(OC)c1 ZINC001755320589 1440818193 /nfs/dbraw/zinc/81/81/93/1440818193.db2.gz TYCUPNQQXXNSAT-LLVKDONJSA-N 1 2 331.243 3.151 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccc(Cl)c(OC)c1 ZINC001755320589 1440818194 /nfs/dbraw/zinc/81/81/94/1440818194.db2.gz TYCUPNQQXXNSAT-LLVKDONJSA-N 1 2 331.243 3.151 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cccc(F)c1OCC ZINC001755321570 1440818723 /nfs/dbraw/zinc/81/87/23/1440818723.db2.gz PPOOKNIPGLQZEE-LBPRGKRZSA-N 1 2 328.815 3.027 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cccc(F)c1OCC ZINC001755321570 1440818724 /nfs/dbraw/zinc/81/87/24/1440818724.db2.gz PPOOKNIPGLQZEE-LBPRGKRZSA-N 1 2 328.815 3.027 20 30 EGEDLO CCCC[C@@H](C[NH2+][C@@H](C)c1nc(C(C)C)no1)NC(=O)C#CC(C)C ZINC001755358395 1440830557 /nfs/dbraw/zinc/83/05/57/1440830557.db2.gz RLEISCCMYPCZIO-HOTGVXAUSA-N 1 2 348.491 3.178 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCCCC[N@H+]1Cc1nc(CCC)no1 ZINC001755366847 1440834888 /nfs/dbraw/zinc/83/48/88/1440834888.db2.gz YXQVLFGUSQRASJ-HNNXBMFYSA-N 1 2 348.491 3.095 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1nc(CCC)no1 ZINC001755366847 1440834889 /nfs/dbraw/zinc/83/48/89/1440834889.db2.gz YXQVLFGUSQRASJ-HNNXBMFYSA-N 1 2 348.491 3.095 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H](C)C1C[NH+](Cc2nc(C)sc2C)C1 ZINC001755385834 1440840618 /nfs/dbraw/zinc/84/06/18/1440840618.db2.gz DPUKROVTCQWIHJ-LBPRGKRZSA-N 1 2 335.517 3.299 20 30 EGEDLO C[C@H](CC(=O)N[C@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1)C1CC1 ZINC001755390800 1440842130 /nfs/dbraw/zinc/84/21/30/1440842130.db2.gz BGTBFOYTBBABEC-ZIAGYGMSSA-N 1 2 343.446 3.070 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H](OC)C2CCCCC2)C(C)(C)C1 ZINC001755416818 1440849321 /nfs/dbraw/zinc/84/93/21/1440849321.db2.gz XKGXSIQZVHRLDY-JKSUJKDBSA-N 1 2 342.911 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H](OC)C2CCCCC2)C(C)(C)C1 ZINC001755416818 1440849322 /nfs/dbraw/zinc/84/93/22/1440849322.db2.gz XKGXSIQZVHRLDY-JKSUJKDBSA-N 1 2 342.911 3.161 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2C[C@H](C[NH2+]CC(F)(F)C(F)F)C2)CCC1 ZINC001755477775 1440859613 /nfs/dbraw/zinc/85/96/13/1440859613.db2.gz DNMUVCSXBSYEQI-HAQNSBGRSA-N 1 2 336.373 3.118 20 30 EGEDLO C=CC(C)(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1nnc(C(F)F)s1 ZINC001755589321 1440881122 /nfs/dbraw/zinc/88/11/22/1440881122.db2.gz RKJCMVNDWHKRFK-JTQLQIEISA-N 1 2 346.447 3.015 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccn(C(C)C)n2)[C@H]1C ZINC001755724894 1440908948 /nfs/dbraw/zinc/90/89/48/1440908948.db2.gz ZIKSMIRUJAQXRR-FUHWJXTLSA-N 1 2 332.492 3.289 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccn(C(C)C)n2)[C@H]1C ZINC001755724894 1440908949 /nfs/dbraw/zinc/90/89/49/1440908949.db2.gz ZIKSMIRUJAQXRR-FUHWJXTLSA-N 1 2 332.492 3.289 20 30 EGEDLO C=CCCC(=O)N1C[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)CC[C@H]1C ZINC001756803674 1441058447 /nfs/dbraw/zinc/05/84/47/1441058447.db2.gz OXSKPVBEMYRCAB-WBVHZDCISA-N 1 2 343.471 3.082 20 30 EGEDLO N#Cc1cccc(OCCC[NH2+]C2(c3noc(C(F)F)n3)CCC2)c1 ZINC000368335203 168344288 /nfs/dbraw/zinc/34/42/88/168344288.db2.gz YFVOLMXMZHLNJS-UHFFFAOYSA-N 1 2 348.353 3.317 20 30 EGEDLO N#Cc1ccc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000096536661 283125282 /nfs/dbraw/zinc/12/52/82/283125282.db2.gz YRCHYICUDPXHDU-DAXSKMNVSA-N 1 2 331.419 3.029 20 30 EGEDLO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CCS1 ZINC000072862497 216320882 /nfs/dbraw/zinc/32/08/82/216320882.db2.gz DGSQHPDESKIWDW-RYUDHWBXSA-N 1 2 349.525 3.263 20 30 EGEDLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CCS1 ZINC000072862497 216320883 /nfs/dbraw/zinc/32/08/83/216320883.db2.gz DGSQHPDESKIWDW-RYUDHWBXSA-N 1 2 349.525 3.263 20 30 EGEDLO C=CCN(CC=C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000264206539 201210450 /nfs/dbraw/zinc/21/04/50/201210450.db2.gz GGDRZFIOKPQQQU-INIZCTEOSA-N 1 2 329.444 3.286 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000264952933 201214246 /nfs/dbraw/zinc/21/42/46/201214246.db2.gz CEKZSIZVUYAVCB-UHFFFAOYSA-N 1 2 339.233 3.102 20 30 EGEDLO C=C(Br)C[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000264952933 201214250 /nfs/dbraw/zinc/21/42/50/201214250.db2.gz CEKZSIZVUYAVCB-UHFFFAOYSA-N 1 2 339.233 3.102 20 30 EGEDLO C=C[C@@H](Cc1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1)c1ccccc1 ZINC000272627608 201252843 /nfs/dbraw/zinc/25/28/43/201252843.db2.gz JYJMCAKYOMYNEY-RDJZCZTQSA-N 1 2 327.428 3.364 20 30 EGEDLO C=C[C@@H](Cc1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1)c1ccccc1 ZINC000272627608 201252847 /nfs/dbraw/zinc/25/28/47/201252847.db2.gz JYJMCAKYOMYNEY-RDJZCZTQSA-N 1 2 327.428 3.364 20 30 EGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000278491194 201304951 /nfs/dbraw/zinc/30/49/51/201304951.db2.gz HIQMVPTWRJXAAI-HZPDHXFCSA-N 1 2 349.500 3.295 20 30 EGEDLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2sccc2C#N)o1 ZINC000130878776 205262390 /nfs/dbraw/zinc/26/23/90/205262390.db2.gz ZQBGUMSWSOFWIL-AWEZNQCLSA-N 1 2 345.424 3.135 20 30 EGEDLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2sccc2C#N)o1 ZINC000130878776 205262394 /nfs/dbraw/zinc/26/23/94/205262394.db2.gz ZQBGUMSWSOFWIL-AWEZNQCLSA-N 1 2 345.424 3.135 20 30 EGEDLO C[C@@H](c1cccc(NC(=O)Cc2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000264227582 246212531 /nfs/dbraw/zinc/21/25/31/246212531.db2.gz LPQLFCDKFAFBCW-INIZCTEOSA-N 1 2 349.434 3.133 20 30 EGEDLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)o1 ZINC000377252675 169002690 /nfs/dbraw/zinc/00/26/90/169002690.db2.gz SEMIMQXDBPOGRG-IBGZPJMESA-N 1 2 348.406 3.423 20 30 EGEDLO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)o1 ZINC000377252675 169002692 /nfs/dbraw/zinc/00/26/92/169002692.db2.gz SEMIMQXDBPOGRG-IBGZPJMESA-N 1 2 348.406 3.423 20 30 EGEDLO COc1ccc(Cl)cc1N1CC[C@@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC000174336946 207013020 /nfs/dbraw/zinc/01/30/20/207013020.db2.gz NUSKHNSXLOZMKG-CYBMUJFWSA-N 1 2 331.803 3.182 20 30 EGEDLO N#Cc1ccnc(N2CCC(CCCn3cc[nH+]c3)CC2)c1Cl ZINC000342828917 141151858 /nfs/dbraw/zinc/15/18/58/141151858.db2.gz CJTXOUOEKGRKES-UHFFFAOYSA-N 1 2 329.835 3.500 20 30 EGEDLO C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000353007720 141284452 /nfs/dbraw/zinc/28/44/52/141284452.db2.gz KCCXYPURGNPFGE-ZDUSSCGKSA-N 1 2 348.418 3.271 20 30 EGEDLO COc1ccc(F)cc1CN1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000119227005 152185277 /nfs/dbraw/zinc/18/52/77/152185277.db2.gz ZNKILFPEDGTVDF-UHFFFAOYSA-N 1 2 345.443 3.085 20 30 EGEDLO Cc1nsc(NC[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)c1C#N ZINC000341551136 155347919 /nfs/dbraw/zinc/34/79/19/155347919.db2.gz CFGZEWCYYYJCNQ-QGZVFWFLSA-N 1 2 342.468 3.117 20 30 EGEDLO CCOc1ccccc1[C@H](CC)[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000341614206 155383989 /nfs/dbraw/zinc/38/39/89/155383989.db2.gz BBIPRTWOAYBJMX-HKUYNNGSSA-N 1 2 337.423 3.224 20 30 EGEDLO Cc1noc([C@H]([NH2+][C@@H](C)c2cccc(C#N)c2)C2CCOCC2)n1 ZINC000345299461 156042496 /nfs/dbraw/zinc/04/24/96/156042496.db2.gz IWZJEUPZTAPPOJ-YVEFUNNKSA-N 1 2 326.400 3.068 20 30 EGEDLO C[C@@H]([NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1)c1ccc(C#N)cc1 ZINC000338342053 163217671 /nfs/dbraw/zinc/21/76/71/163217671.db2.gz FFPYYESOFDHULU-GFCCVEGCSA-N 1 2 348.362 3.188 20 30 EGEDLO CC(C)(C)Oc1cc[nH+]cc1NC(=O)Cc1c(F)cccc1C#N ZINC000354340423 166005448 /nfs/dbraw/zinc/00/54/48/166005448.db2.gz PKHPHSLYAYYKJU-UHFFFAOYSA-N 1 2 327.359 3.451 20 30 EGEDLO Cc1onc(CC(=O)Nc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)c1C#N ZINC000354348966 166007334 /nfs/dbraw/zinc/00/73/34/166007334.db2.gz RHTJNAACHGHTBH-UHFFFAOYSA-N 1 2 337.383 3.210 20 30 EGEDLO N#Cc1ccc(C[N@@H+](Cc2nc(CC(F)(F)F)no2)C2CC2)cc1 ZINC000344074212 164096996 /nfs/dbraw/zinc/09/69/96/164096996.db2.gz QBRFIBSVUQRHMN-UHFFFAOYSA-N 1 2 336.317 3.211 20 30 EGEDLO N#Cc1ccc(C[N@H+](Cc2nc(CC(F)(F)F)no2)C2CC2)cc1 ZINC000344074212 164096997 /nfs/dbraw/zinc/09/69/97/164096997.db2.gz QBRFIBSVUQRHMN-UHFFFAOYSA-N 1 2 336.317 3.211 20 30 EGEDLO CC1(C)C[N@H+](CC(=O)Nc2ccc(C#N)cc2)Cc2ccccc2O1 ZINC000344095457 164102254 /nfs/dbraw/zinc/10/22/54/164102254.db2.gz AYMCPNXGEMYNBS-UHFFFAOYSA-N 1 2 335.407 3.170 20 30 EGEDLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)Cc2ccccc2O1 ZINC000344095457 164102255 /nfs/dbraw/zinc/10/22/55/164102255.db2.gz AYMCPNXGEMYNBS-UHFFFAOYSA-N 1 2 335.407 3.170 20 30 EGEDLO CO[C@H](C)c1nc(C[N@H+](C)CCOCc2ccc(C#N)cc2)cs1 ZINC000344129930 164109861 /nfs/dbraw/zinc/10/98/61/164109861.db2.gz VKMVUSMKVGEJTR-CQSZACIVSA-N 1 2 345.468 3.371 20 30 EGEDLO CO[C@H](C)c1nc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)cs1 ZINC000344129930 164109863 /nfs/dbraw/zinc/10/98/63/164109863.db2.gz VKMVUSMKVGEJTR-CQSZACIVSA-N 1 2 345.468 3.371 20 30 EGEDLO Cc1ccc(NC(=O)N(C)CCOCc2ccc(C#N)cc2)c(C)[nH+]1 ZINC000344403205 164170608 /nfs/dbraw/zinc/17/06/08/164170608.db2.gz UCUFZXBPTZVYEL-UHFFFAOYSA-N 1 2 338.411 3.251 20 30 EGEDLO Cc1nsc(N2CC[NH+]([C@@H]3CCc4ccc(F)cc43)CC2)c1C#N ZINC000352177209 165269787 /nfs/dbraw/zinc/26/97/87/165269787.db2.gz ZKDZJMADXOGMHP-QGZVFWFLSA-N 1 2 342.443 3.272 20 30 EGEDLO Cc1cccnc1OC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000352348883 165356264 /nfs/dbraw/zinc/35/62/64/165356264.db2.gz GTTRHQQRPKAENJ-UHFFFAOYSA-N 1 2 325.387 3.444 20 30 EGEDLO CC(C)Cn1ncnc1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000352416893 165390335 /nfs/dbraw/zinc/39/03/35/165390335.db2.gz LRUAWOHEHJXNRJ-UHFFFAOYSA-N 1 2 325.460 3.464 20 30 EGEDLO CC(C)Cn1ncnc1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000352416893 165390338 /nfs/dbraw/zinc/39/03/38/165390338.db2.gz LRUAWOHEHJXNRJ-UHFFFAOYSA-N 1 2 325.460 3.464 20 30 EGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(F)c(C#N)c1 ZINC000355307827 166159050 /nfs/dbraw/zinc/15/90/50/166159050.db2.gz BUOYKTOKUJBQGB-UHFFFAOYSA-N 1 2 328.391 3.009 20 30 EGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H](C)c1cccc(C#N)c1)C2 ZINC000360202661 167269954 /nfs/dbraw/zinc/26/99/54/167269954.db2.gz CQVYSHRKKKXLGM-AWEZNQCLSA-N 1 2 336.439 3.104 20 30 EGEDLO N#Cc1ccc2ncc(C[N@H+]3CC[C@@](F)(c4ccccc4F)C3)n2c1 ZINC000367125406 168182395 /nfs/dbraw/zinc/18/23/95/168182395.db2.gz FMFUHSCLXCOFBF-IBGZPJMESA-N 1 2 338.361 3.416 20 30 EGEDLO N#Cc1ccc2ncc(C[N@@H+]3CC[C@@](F)(c4ccccc4F)C3)n2c1 ZINC000367125406 168182396 /nfs/dbraw/zinc/18/23/96/168182396.db2.gz FMFUHSCLXCOFBF-IBGZPJMESA-N 1 2 338.361 3.416 20 30 EGEDLO N#Cc1ccc2[nH+]cc(CN3CC[C@@](F)(c4ccccc4F)C3)n2c1 ZINC000367125406 168182397 /nfs/dbraw/zinc/18/23/97/168182397.db2.gz FMFUHSCLXCOFBF-IBGZPJMESA-N 1 2 338.361 3.416 20 30 EGEDLO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000009726790 287380336 /nfs/dbraw/zinc/38/03/36/287380336.db2.gz ULLBBUNCZFVLPM-OAHLLOKOSA-N 1 2 331.485 3.400 20 30 EGEDLO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000009726790 287380338 /nfs/dbraw/zinc/38/03/38/287380338.db2.gz ULLBBUNCZFVLPM-OAHLLOKOSA-N 1 2 331.485 3.400 20 30 EGEDLO Cc1nc(N2CC[NH+]([C@H](C)c3ccc(F)cc3F)CC2)ccc1C#N ZINC000488058386 269924453 /nfs/dbraw/zinc/92/44/53/269924453.db2.gz QETBQAUYOGSUFG-CQSZACIVSA-N 1 2 342.393 3.423 20 30 EGEDLO N#Cc1ccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000329874994 269957591 /nfs/dbraw/zinc/95/75/91/269957591.db2.gz DEMZBUFEZJWJEN-UHFFFAOYSA-N 1 2 340.452 3.172 20 30 EGEDLO N#Cc1cc2c(nc1NCc1cc[nH+]c(N3CCCC3)c1)CCCC2 ZINC000298083338 270043004 /nfs/dbraw/zinc/04/30/04/270043004.db2.gz XDRXJTWCMISFSK-UHFFFAOYSA-N 1 2 333.439 3.439 20 30 EGEDLO CCc1[nH+]c2cc(CNC(=O)c3cc(C#N)[nH]c3C)ccc2n1C1CC1 ZINC000451520863 270053480 /nfs/dbraw/zinc/05/34/80/270053480.db2.gz CDLXMGVZFXPUAP-UHFFFAOYSA-N 1 2 347.422 3.372 20 30 EGEDLO N#Cc1ccc(F)c(C[NH+]2CCN(c3cc(F)ccc3F)CC2)c1 ZINC000177640808 265270397 /nfs/dbraw/zinc/27/03/97/265270397.db2.gz YGKAXUPNPHXPRX-UHFFFAOYSA-N 1 2 331.341 3.298 20 30 EGEDLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1OC ZINC000501258412 270059020 /nfs/dbraw/zinc/05/90/20/270059020.db2.gz ZVXBHQXNQCUZRS-UHFFFAOYSA-N 1 2 337.423 3.200 20 30 EGEDLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1OC ZINC000501258412 270059022 /nfs/dbraw/zinc/05/90/22/270059022.db2.gz ZVXBHQXNQCUZRS-UHFFFAOYSA-N 1 2 337.423 3.200 20 30 EGEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000455461309 267016237 /nfs/dbraw/zinc/01/62/37/267016237.db2.gz VSTMKACLFLCFNK-OAHLLOKOSA-N 1 2 339.443 3.457 20 30 EGEDLO CCN(CC)c1ccc(CNC(=O)C2(c3cccc(C#N)c3)CC2)c[nH+]1 ZINC000435048112 267061622 /nfs/dbraw/zinc/06/16/22/267061622.db2.gz GHNWQLQQXSWDFM-UHFFFAOYSA-N 1 2 348.450 3.147 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000329811558 267144392 /nfs/dbraw/zinc/14/43/92/267144392.db2.gz CTDZOYRFYYEUPZ-XOKHGSTOSA-N 1 2 327.428 3.424 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000329811558 267144395 /nfs/dbraw/zinc/14/43/95/267144395.db2.gz CTDZOYRFYYEUPZ-XOKHGSTOSA-N 1 2 327.428 3.424 20 30 EGEDLO C[C@H](O[NH+]=C(N)c1ccc(N2CCCCC2)nc1)c1cccc(C#N)c1 ZINC000190091071 267196280 /nfs/dbraw/zinc/19/62/80/267196280.db2.gz FKGFVDCXWIKXDQ-HNNXBMFYSA-N 1 2 349.438 3.342 20 30 EGEDLO CCc1cc(CCC[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)on1 ZINC000450641353 267244824 /nfs/dbraw/zinc/24/48/24/267244824.db2.gz ZRVSFJRKCFVVPH-LJQANCHMSA-N 1 2 325.412 3.115 20 30 EGEDLO CCc1cc(CCC[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)on1 ZINC000450641353 267244829 /nfs/dbraw/zinc/24/48/29/267244829.db2.gz ZRVSFJRKCFVVPH-LJQANCHMSA-N 1 2 325.412 3.115 20 30 EGEDLO C[C@]([NH2+]Cc1ccccc1C#N)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177375009 267255132 /nfs/dbraw/zinc/25/51/32/267255132.db2.gz XTHXBFVVDXWVNB-QGZVFWFLSA-N 1 2 347.340 3.067 20 30 EGEDLO CN(C)c1cc(C#N)cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000432653507 267293263 /nfs/dbraw/zinc/29/32/63/267293263.db2.gz BCEJLQBUEDLSQT-UHFFFAOYSA-N 1 2 331.379 3.062 20 30 EGEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ccc(C#N)cc1Br ZINC000428660220 267321992 /nfs/dbraw/zinc/32/19/92/267321992.db2.gz AZIBPUMTHGCAHN-UHFFFAOYSA-N 1 2 345.244 3.490 20 30 EGEDLO C[C@@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)c1ncn(C)n1 ZINC000275775150 267422918 /nfs/dbraw/zinc/42/29/18/267422918.db2.gz HPTFRTLPIRCLDP-OAHLLOKOSA-N 1 2 347.422 3.117 20 30 EGEDLO Cc1ccc(-n2c[nH+]c3c2CCN(c2c(C#N)cccc2C#N)C3)cc1 ZINC000436372588 268022901 /nfs/dbraw/zinc/02/29/01/268022901.db2.gz QFAYDNBOHMDXQB-UHFFFAOYSA-N 1 2 339.402 3.487 20 30 EGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000278562243 268040207 /nfs/dbraw/zinc/04/02/07/268040207.db2.gz AHZFMLNJJDQEES-ZDUSSCGKSA-N 1 2 343.427 3.278 20 30 EGEDLO Cc1ccoc1C[N@@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000429385462 268066102 /nfs/dbraw/zinc/06/61/02/268066102.db2.gz LCWGVBDEYLDKHX-GFCCVEGCSA-N 1 2 343.452 3.469 20 30 EGEDLO Cc1ccoc1C[N@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000429385462 268066103 /nfs/dbraw/zinc/06/61/03/268066103.db2.gz LCWGVBDEYLDKHX-GFCCVEGCSA-N 1 2 343.452 3.469 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)/C=C\c1ccc(C#N)cc1 ZINC000490818879 268080547 /nfs/dbraw/zinc/08/05/47/268080547.db2.gz BFODYYLBLQNEOG-KHPPLWFESA-N 1 2 330.391 3.046 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(F)cc3Cl)CC2)cn1 ZINC000301524341 268118877 /nfs/dbraw/zinc/11/88/77/268118877.db2.gz PBHRDRLVQPRJER-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO Cn1ncc2c1CCC[N@H+](Cc1ccc(C#N)cc1Br)C2 ZINC000411845218 268134816 /nfs/dbraw/zinc/13/48/16/268134816.db2.gz DPQJMNBALKLDFB-UHFFFAOYSA-N 1 2 345.244 3.003 20 30 EGEDLO Cn1ncc2c1CCC[N@@H+](Cc1ccc(C#N)cc1Br)C2 ZINC000411845218 268134817 /nfs/dbraw/zinc/13/48/17/268134817.db2.gz DPQJMNBALKLDFB-UHFFFAOYSA-N 1 2 345.244 3.003 20 30 EGEDLO N#Cc1ccc(C2=CC[N@H+](Cc3nncn3-c3ccccc3)CC2)cc1 ZINC000444686615 268212715 /nfs/dbraw/zinc/21/27/15/268212715.db2.gz WWVXKJRESYNMTM-UHFFFAOYSA-N 1 2 341.418 3.428 20 30 EGEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3nncn3-c3ccccc3)CC2)cc1 ZINC000444686615 268212717 /nfs/dbraw/zinc/21/27/17/268212717.db2.gz WWVXKJRESYNMTM-UHFFFAOYSA-N 1 2 341.418 3.428 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCCC3(F)F)CC2)cc1 ZINC000448579524 268220541 /nfs/dbraw/zinc/22/05/41/268220541.db2.gz TVEZUUUNRPQAJS-QGZVFWFLSA-N 1 2 347.409 3.028 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(O)c3)CC2)c(Cl)c1 ZINC000446911853 268234691 /nfs/dbraw/zinc/23/46/91/268234691.db2.gz VNSRRLIRFUTFSL-UHFFFAOYSA-N 1 2 327.815 3.239 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)c(F)c1 ZINC000278835979 275279368 /nfs/dbraw/zinc/27/93/68/275279368.db2.gz KJMPLLHIJSWINZ-OAHLLOKOSA-N 1 2 329.350 3.275 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)c(F)c1 ZINC000278835979 275279369 /nfs/dbraw/zinc/27/93/69/275279369.db2.gz KJMPLLHIJSWINZ-OAHLLOKOSA-N 1 2 329.350 3.275 20 30 EGEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)CNc2cccc(C#N)c2)c1 ZINC000153719874 307779472 /nfs/dbraw/zinc/77/94/72/307779472.db2.gz RMHLYRFHCCWCIG-UHFFFAOYSA-N 1 2 331.379 3.009 20 30 EGEDLO C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1c(F)cccc1Cl ZINC000538280052 314236855 /nfs/dbraw/zinc/23/68/55/314236855.db2.gz SFOAAFSSLITKMB-GFCCVEGCSA-N 1 2 345.805 3.318 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1ccccc1 ZINC000545915393 314791225 /nfs/dbraw/zinc/79/12/25/314791225.db2.gz FLOQUFHTHJEIGL-KRWDZBQOSA-N 1 2 333.351 3.401 20 30 EGEDLO Cc1[nH+]c2cc(CNC(=O)c3ccc(C#N)c(C)n3)ccc2n1C1CC1 ZINC000555570738 315391420 /nfs/dbraw/zinc/39/14/20/315391420.db2.gz SDXPAIKCDWKHFU-UHFFFAOYSA-N 1 2 345.406 3.185 20 30 EGEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000571116343 317152795 /nfs/dbraw/zinc/15/27/95/317152795.db2.gz AXDKFHKCPNCCBM-UHFFFAOYSA-N 1 2 328.803 3.017 20 30 EGEDLO CCN1CCN(c2nc3ccccc3c(C)c2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000574720272 317629193 /nfs/dbraw/zinc/62/91/93/317629193.db2.gz COSNIOSRSLQLRQ-SFHVURJKSA-N 1 2 346.438 3.021 20 30 EGEDLO C[C@H]1C[NH+](CCSc2nc3c(cc2C#N)CCCC3)C[C@H](C)O1 ZINC000578669391 325002246 /nfs/dbraw/zinc/00/22/46/325002246.db2.gz KNICKRHJORAPLA-KBPBESRZSA-N 1 2 331.485 3.033 20 30 EGEDLO N#Cc1c2c(cnc1NCc1[nH+]ccn1CCc1ccccc1)CCC2 ZINC000581663226 325380764 /nfs/dbraw/zinc/38/07/64/325380764.db2.gz DPVABYVKGRRIGP-UHFFFAOYSA-N 1 2 343.434 3.493 20 30 EGEDLO C=C1CC[NH+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)CC1 ZINC000264495388 455224345 /nfs/dbraw/zinc/22/43/45/455224345.db2.gz UIAPVVLXYAAQHO-MRXNPFEDSA-N 1 2 339.395 3.202 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1[nH+]ccn1C ZINC000264518630 455228167 /nfs/dbraw/zinc/22/81/67/455228167.db2.gz BXVUAPMKMIVHOL-GFCCVEGCSA-N 1 2 329.429 3.136 20 30 EGEDLO C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000569461607 459456569 /nfs/dbraw/zinc/45/65/69/459456569.db2.gz YBOPQUFNEYKRAS-ZBEGNZNMSA-N 1 2 342.270 3.132 20 30 EGEDLO N#Cc1cccc(Cl)c1NCc1ccc[nH+]c1N1CCOCC1 ZINC000264683030 455262013 /nfs/dbraw/zinc/26/20/13/455262013.db2.gz XLSZVTVKDWCSFG-UHFFFAOYSA-N 1 2 328.803 3.055 20 30 EGEDLO C[C@]1(C#N)CCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000612158234 460554783 /nfs/dbraw/zinc/55/47/83/460554783.db2.gz IPUGNTDSKRMCDX-XJKSGUPXSA-N 1 2 343.254 3.359 20 30 EGEDLO C[C@]1(C#N)CCC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000612158234 460554790 /nfs/dbraw/zinc/55/47/90/460554790.db2.gz IPUGNTDSKRMCDX-XJKSGUPXSA-N 1 2 343.254 3.359 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ncc(C(C)C)o3)C2)C1 ZINC000631781532 460555749 /nfs/dbraw/zinc/55/57/49/460555749.db2.gz MHACDDUAUGYTRY-OAHLLOKOSA-N 1 2 331.460 3.187 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([N@H+](C)Cc3ncc(C(C)C)o3)C2)C1 ZINC000631781532 460555756 /nfs/dbraw/zinc/55/57/56/460555756.db2.gz MHACDDUAUGYTRY-OAHLLOKOSA-N 1 2 331.460 3.187 20 30 EGEDLO C[C@]1(C#N)CCCN(Cc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000612162720 460556420 /nfs/dbraw/zinc/55/64/20/460556420.db2.gz KEJQOLCDYGLRSK-OAHLLOKOSA-N 1 2 333.233 3.222 20 30 EGEDLO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166920 460559012 /nfs/dbraw/zinc/55/90/12/460559012.db2.gz FUFLZMXSLGNDBD-VKJFTORMSA-N 1 2 331.485 3.426 20 30 EGEDLO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166920 460559019 /nfs/dbraw/zinc/55/90/19/460559019.db2.gz FUFLZMXSLGNDBD-VKJFTORMSA-N 1 2 331.485 3.426 20 30 EGEDLO C[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1cccs1 ZINC000007846047 453126145 /nfs/dbraw/zinc/12/61/45/453126145.db2.gz SVCQHKPQUNKFJM-UHFFFAOYSA-N 1 2 331.466 3.434 20 30 EGEDLO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1cccs1 ZINC000007846047 453126152 /nfs/dbraw/zinc/12/61/52/453126152.db2.gz SVCQHKPQUNKFJM-UHFFFAOYSA-N 1 2 331.466 3.434 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000007922607 453133182 /nfs/dbraw/zinc/13/31/82/453133182.db2.gz DHNKIMHUSPRLSJ-SCLBCKFNSA-N 1 2 344.484 3.344 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000007922607 453133193 /nfs/dbraw/zinc/13/31/93/453133193.db2.gz DHNKIMHUSPRLSJ-SCLBCKFNSA-N 1 2 344.484 3.344 20 30 EGEDLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@@](C)(C#N)C3)cn2c1 ZINC000612371220 460608705 /nfs/dbraw/zinc/60/87/05/460608705.db2.gz ZIGOQTWTSNFBIP-SFHVURJKSA-N 1 2 342.468 3.028 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1nc2ccccc2s1 ZINC000027404223 453816259 /nfs/dbraw/zinc/81/62/59/453816259.db2.gz WVCKGBYSUXDFOS-FZKQIMNGSA-N 1 2 344.484 3.171 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000027404223 453816263 /nfs/dbraw/zinc/81/62/63/453816263.db2.gz WVCKGBYSUXDFOS-FZKQIMNGSA-N 1 2 344.484 3.171 20 30 EGEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000029655260 453830640 /nfs/dbraw/zinc/83/06/40/453830640.db2.gz MWANKKYIHXKMQN-QGZVFWFLSA-N 1 2 348.450 3.147 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCOC(C)(C)C2)c1 ZINC000030196920 453834449 /nfs/dbraw/zinc/83/44/49/453834449.db2.gz OPDAFWINSCKKIJ-KRWDZBQOSA-N 1 2 343.471 3.049 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCOC(C)(C)C2)c1 ZINC000030196920 453834450 /nfs/dbraw/zinc/83/44/50/453834450.db2.gz OPDAFWINSCKKIJ-KRWDZBQOSA-N 1 2 343.471 3.049 20 30 EGEDLO C#CC[N@@H+](CC(=O)Nc1sccc1C#N)[C@H]1CCc2ccccc21 ZINC000052845765 453846791 /nfs/dbraw/zinc/84/67/91/453846791.db2.gz ZQMKHSWJRJHLMQ-KRWDZBQOSA-N 1 2 335.432 3.181 20 30 EGEDLO C#CC[N@H+](CC(=O)Nc1sccc1C#N)[C@H]1CCc2ccccc21 ZINC000052845765 453846792 /nfs/dbraw/zinc/84/67/92/453846792.db2.gz ZQMKHSWJRJHLMQ-KRWDZBQOSA-N 1 2 335.432 3.181 20 30 EGEDLO C=CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000081512508 453880272 /nfs/dbraw/zinc/88/02/72/453880272.db2.gz QWSUBZXIQJYPSW-UHFFFAOYSA-N 1 2 340.448 3.020 20 30 EGEDLO C=CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000081512508 453880276 /nfs/dbraw/zinc/88/02/76/453880276.db2.gz QWSUBZXIQJYPSW-UHFFFAOYSA-N 1 2 340.448 3.020 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053815037 453898022 /nfs/dbraw/zinc/89/80/22/453898022.db2.gz LLLSWZLXVLOXRR-HNNXBMFYSA-N 1 2 347.418 3.380 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053815037 453898023 /nfs/dbraw/zinc/89/80/23/453898023.db2.gz LLLSWZLXVLOXRR-HNNXBMFYSA-N 1 2 347.418 3.380 20 30 EGEDLO N#Cc1ccsc1N1CC[C@H](Sc2[nH+]cc3ccccn32)C1=O ZINC000083090843 453938236 /nfs/dbraw/zinc/93/82/36/453938236.db2.gz AFWAVBSRDYXLDC-ZDUSSCGKSA-N 1 2 340.433 3.165 20 30 EGEDLO CCN(CC)c1ccc(CNc2ccc(C#N)cc2[N+](=O)[O-])c[nH+]1 ZINC000076799620 454037835 /nfs/dbraw/zinc/03/78/35/454037835.db2.gz BEXPHAHRGCXDPR-UHFFFAOYSA-N 1 2 325.372 3.320 20 30 EGEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000094134095 454189199 /nfs/dbraw/zinc/18/91/99/454189199.db2.gz IQJSNEDMVPTYAN-AWEZNQCLSA-N 1 2 326.831 3.490 20 30 EGEDLO N#CCC[C@@H](NC(=O)NCCc1cn2ccccc2[nH+]1)c1ccccc1 ZINC000131642971 454272172 /nfs/dbraw/zinc/27/21/72/454272172.db2.gz SSLOOLKJYQLFET-GOSISDBHSA-N 1 2 347.422 3.221 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)NCc1ccccc1COC ZINC000266721642 455442306 /nfs/dbraw/zinc/44/23/06/455442306.db2.gz HWDRPXLIMSTTIE-UHFFFAOYSA-N 1 2 345.487 3.101 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)NCc1ccccc1COC ZINC000266721642 455442311 /nfs/dbraw/zinc/44/23/11/455442311.db2.gz HWDRPXLIMSTTIE-UHFFFAOYSA-N 1 2 345.487 3.101 20 30 EGEDLO Cn1c2ccc(NC(=O)C3(C#N)CCOCC3)cc2[nH+]c1C(C)(C)C ZINC000132500976 454343723 /nfs/dbraw/zinc/34/37/23/454343723.db2.gz LNTFJWZAFPNYHD-UHFFFAOYSA-N 1 2 340.427 3.130 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)Cc1cccnc1 ZINC000132546690 454347228 /nfs/dbraw/zinc/34/72/28/454347228.db2.gz NISMARZRVTYFHC-HNNXBMFYSA-N 1 2 329.469 3.178 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)Cc1cccnc1 ZINC000132546690 454347231 /nfs/dbraw/zinc/34/72/31/454347231.db2.gz NISMARZRVTYFHC-HNNXBMFYSA-N 1 2 329.469 3.178 20 30 EGEDLO COc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2F)cc1[N+](=O)[O-] ZINC000132552634 454347553 /nfs/dbraw/zinc/34/75/53/454347553.db2.gz WNCOUSLSSCOKOP-UHFFFAOYSA-N 1 2 329.331 3.246 20 30 EGEDLO COc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2F)cc1[N+](=O)[O-] ZINC000132552634 454347557 /nfs/dbraw/zinc/34/75/57/454347557.db2.gz WNCOUSLSSCOKOP-UHFFFAOYSA-N 1 2 329.331 3.246 20 30 EGEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCc2ccsc2C1 ZINC000132660673 454356178 /nfs/dbraw/zinc/35/61/78/454356178.db2.gz VKSPZYYZFOWJHE-UHFFFAOYSA-N 1 2 343.477 3.361 20 30 EGEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCc2ccsc2C1 ZINC000132660673 454356180 /nfs/dbraw/zinc/35/61/80/454356180.db2.gz VKSPZYYZFOWJHE-UHFFFAOYSA-N 1 2 343.477 3.361 20 30 EGEDLO Cc1ccccc1-c1noc([C@H](C)O[NH+]=C(N)[C@H](C)OCC(C)C)n1 ZINC000072921335 454363539 /nfs/dbraw/zinc/36/35/39/454363539.db2.gz IUZXTLUNXWWGJC-KBPBESRZSA-N 1 2 346.431 3.456 20 30 EGEDLO N#Cc1ccc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000048367693 454481033 /nfs/dbraw/zinc/48/10/33/454481033.db2.gz RAMNDMXNRFKDMX-UHFFFAOYSA-N 1 2 326.363 3.299 20 30 EGEDLO CC[N@@H+](CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)C[C@@H](C)C#N ZINC000049982440 454566798 /nfs/dbraw/zinc/56/67/98/454566798.db2.gz APGIQOOUGCZHGL-HOTGVXAUSA-N 1 2 327.472 3.224 20 30 EGEDLO CC[N@H+](CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)C[C@@H](C)C#N ZINC000049982440 454566806 /nfs/dbraw/zinc/56/68/06/454566806.db2.gz APGIQOOUGCZHGL-HOTGVXAUSA-N 1 2 327.472 3.224 20 30 EGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccco2)c1C ZINC000051259964 454615627 /nfs/dbraw/zinc/61/56/27/454615627.db2.gz ZWPVORGCDQYILI-UHFFFAOYSA-N 1 2 325.412 3.275 20 30 EGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccco2)c1C ZINC000051259964 454615630 /nfs/dbraw/zinc/61/56/30/454615630.db2.gz ZWPVORGCDQYILI-UHFFFAOYSA-N 1 2 325.412 3.275 20 30 EGEDLO CCCC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1F ZINC000123492360 454643793 /nfs/dbraw/zinc/64/37/93/454643793.db2.gz DTPHBYGTKBDDNW-LJQANCHMSA-N 1 2 331.435 3.236 20 30 EGEDLO CCCC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1F ZINC000123492360 454643797 /nfs/dbraw/zinc/64/37/97/454643797.db2.gz DTPHBYGTKBDDNW-LJQANCHMSA-N 1 2 331.435 3.236 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)Cc2ccc(OC)c(O)c2)c1C ZINC000080962756 454659418 /nfs/dbraw/zinc/65/94/18/454659418.db2.gz XUBLBQIHLFAUPH-UHFFFAOYSA-N 1 2 342.439 3.320 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)Cc2ccc(OC)c(O)c2)c1C ZINC000080962756 454659421 /nfs/dbraw/zinc/65/94/21/454659421.db2.gz XUBLBQIHLFAUPH-UHFFFAOYSA-N 1 2 342.439 3.320 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000066316875 454684233 /nfs/dbraw/zinc/68/42/33/454684233.db2.gz LNCIVZVYOONICP-INIZCTEOSA-N 1 2 331.460 3.059 20 30 EGEDLO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1cccc(C#N)c1 ZINC000052580248 454685920 /nfs/dbraw/zinc/68/59/20/454685920.db2.gz JYLSBKYSINUAGO-UHFFFAOYSA-N 1 2 349.350 3.148 20 30 EGEDLO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1cccc(C#N)c1 ZINC000052580248 454685925 /nfs/dbraw/zinc/68/59/25/454685925.db2.gz JYLSBKYSINUAGO-UHFFFAOYSA-N 1 2 349.350 3.148 20 30 EGEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](Cc2cccs2)C2CC2)cc1 ZINC000176204206 454711478 /nfs/dbraw/zinc/71/14/78/454711478.db2.gz KMRFICWSBUHFGQ-UHFFFAOYSA-N 1 2 346.477 3.058 20 30 EGEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](Cc2cccs2)C2CC2)cc1 ZINC000176204206 454711482 /nfs/dbraw/zinc/71/14/82/454711482.db2.gz KMRFICWSBUHFGQ-UHFFFAOYSA-N 1 2 346.477 3.058 20 30 EGEDLO C[C@@H](CC#N)[N@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000161724056 454717919 /nfs/dbraw/zinc/71/79/19/454717919.db2.gz CEGCOHTXRVRWKJ-NEPJUHHUSA-N 1 2 343.500 3.175 20 30 EGEDLO C[C@@H](CC#N)[N@@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000161724056 454717923 /nfs/dbraw/zinc/71/79/23/454717923.db2.gz CEGCOHTXRVRWKJ-NEPJUHHUSA-N 1 2 343.500 3.175 20 30 EGEDLO COc1ccc(C[N@H+](C)Cc2nccs2)cc1OCCCC#N ZINC000093582735 454720389 /nfs/dbraw/zinc/72/03/89/454720389.db2.gz KVLBLEMMBSTEJV-UHFFFAOYSA-N 1 2 331.441 3.466 20 30 EGEDLO COc1ccc(C[N@@H+](C)Cc2nccs2)cc1OCCCC#N ZINC000093582735 454720394 /nfs/dbraw/zinc/72/03/94/454720394.db2.gz KVLBLEMMBSTEJV-UHFFFAOYSA-N 1 2 331.441 3.466 20 30 EGEDLO Cc1ccc([C@H]2CCCC[N@@H+]2CC(=O)NC2(C#N)CCCCC2)o1 ZINC000124679674 454759703 /nfs/dbraw/zinc/75/97/03/454759703.db2.gz QOPMHINYNOHZIH-MRXNPFEDSA-N 1 2 329.444 3.458 20 30 EGEDLO Cc1ccc([C@H]2CCCC[N@H+]2CC(=O)NC2(C#N)CCCCC2)o1 ZINC000124679674 454759708 /nfs/dbraw/zinc/75/97/08/454759708.db2.gz QOPMHINYNOHZIH-MRXNPFEDSA-N 1 2 329.444 3.458 20 30 EGEDLO C#CCN(C(=O)NCc1ccc(N(CC)CC)[nH+]c1)C1CCCC1 ZINC000163186812 454828647 /nfs/dbraw/zinc/82/86/47/454828647.db2.gz VDWBNBMUIOWKRJ-UHFFFAOYSA-N 1 2 328.460 3.015 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000154903910 454941210 /nfs/dbraw/zinc/94/12/10/454941210.db2.gz FQACINZPSCYMDD-QGZVFWFLSA-N 1 2 339.439 3.290 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000154903910 454941213 /nfs/dbraw/zinc/94/12/13/454941213.db2.gz FQACINZPSCYMDD-QGZVFWFLSA-N 1 2 339.439 3.290 20 30 EGEDLO Cc1ccc2[nH+]cc(/C=C3\S/C(=N/C4CCCC4)NC3=O)n2c1 ZINC000178766372 454975169 /nfs/dbraw/zinc/97/51/69/454975169.db2.gz HPVIHLDBTCVCQR-ZSOIEALJSA-N 1 2 326.425 3.145 20 30 EGEDLO COCC[N@H+](Cc1cn2cc(C)ccc2n1)Cc1ccc(C#N)cc1 ZINC000128295883 455043250 /nfs/dbraw/zinc/04/32/50/455043250.db2.gz VFODWVKYAQRPIP-UHFFFAOYSA-N 1 2 334.423 3.163 20 30 EGEDLO COCC[N@@H+](Cc1cn2cc(C)ccc2n1)Cc1ccc(C#N)cc1 ZINC000128295883 455043253 /nfs/dbraw/zinc/04/32/53/455043253.db2.gz VFODWVKYAQRPIP-UHFFFAOYSA-N 1 2 334.423 3.163 20 30 EGEDLO Cc1ccc2[nH+]c(COc3ccccc3C(=O)NC[C@@H](C)C#N)cn2c1 ZINC000171841591 455097428 /nfs/dbraw/zinc/09/74/28/455097428.db2.gz ZHCJVOYIKVVMPN-HNNXBMFYSA-N 1 2 348.406 3.111 20 30 EGEDLO CC(C)(C)OC1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000119114278 455126632 /nfs/dbraw/zinc/12/66/32/455126632.db2.gz SLBOCXBSAQTJGU-UHFFFAOYSA-N 1 2 349.862 3.430 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180486653 455180371 /nfs/dbraw/zinc/18/03/71/455180371.db2.gz WFPFSLRQWLVQLS-LLVKDONJSA-N 1 2 347.340 3.435 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180486653 455180374 /nfs/dbraw/zinc/18/03/74/455180374.db2.gz WFPFSLRQWLVQLS-LLVKDONJSA-N 1 2 347.340 3.435 20 30 EGEDLO CCCCC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(N)=O ZINC000183043021 455215676 /nfs/dbraw/zinc/21/56/76/455215676.db2.gz AYZCQMNOXCLXPS-UHFFFAOYSA-N 1 2 326.362 3.034 20 30 EGEDLO CCCCC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(N)=O ZINC000183043021 455215679 /nfs/dbraw/zinc/21/56/79/455215679.db2.gz AYZCQMNOXCLXPS-UHFFFAOYSA-N 1 2 326.362 3.034 20 30 EGEDLO C=C(C)CN(C)C(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000183603493 455311171 /nfs/dbraw/zinc/31/11/71/455311171.db2.gz ISISECBNTKGVMX-UHFFFAOYSA-N 1 2 339.439 3.191 20 30 EGEDLO N#C[C@@]1(NC(=O)c2cccc(-n3cc[nH+]c3)c2)CCc2ccccc2C1 ZINC000183928494 455340950 /nfs/dbraw/zinc/34/09/50/455340950.db2.gz JNOXXAUBYCJZSS-OAQYLSRUSA-N 1 2 342.402 3.053 20 30 EGEDLO CC(C)CO[C@@H](C)C(N)=[NH+]O[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000174221258 455371123 /nfs/dbraw/zinc/37/11/23/455371123.db2.gz VSPZELGHHRIPGI-GJZGRUSLSA-N 1 2 349.475 3.487 20 30 EGEDLO CC[N@H+](C[C@@H](C)C#N)[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000245808624 455381646 /nfs/dbraw/zinc/38/16/46/455381646.db2.gz QMKCVHQCIZUZLT-WFASDCNBSA-N 1 2 339.361 3.292 20 30 EGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000245808624 455381649 /nfs/dbraw/zinc/38/16/49/455381649.db2.gz QMKCVHQCIZUZLT-WFASDCNBSA-N 1 2 339.361 3.292 20 30 EGEDLO CCc1nc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)cs1 ZINC000184715738 455435188 /nfs/dbraw/zinc/43/51/88/455435188.db2.gz LVDDGUQORMGCRK-CQSZACIVSA-N 1 2 342.468 3.303 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000246562273 455508648 /nfs/dbraw/zinc/50/86/48/455508648.db2.gz RISBZADIWXNUNT-HLLBOEOZSA-N 1 2 336.501 3.323 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000246562273 455508650 /nfs/dbraw/zinc/50/86/50/455508650.db2.gz RISBZADIWXNUNT-HLLBOEOZSA-N 1 2 336.501 3.323 20 30 EGEDLO Cc1ccc2[nH+]c(COc3ccc(C(=O)NC4(C#N)CC4)cc3)cn2c1 ZINC000160894063 455509434 /nfs/dbraw/zinc/50/94/34/455509434.db2.gz JJJUTYLJRNLXDG-UHFFFAOYSA-N 1 2 346.390 3.008 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN([C@H](C)c2ccsc2)CC1 ZINC000185495901 455567541 /nfs/dbraw/zinc/56/75/41/455567541.db2.gz PVNRNDUFNDKNIB-IAGOWNOFSA-N 1 2 347.528 3.016 20 30 EGEDLO C=CC[N@@H+](CCS(=O)(=O)c1ccc(F)cc1)Cc1ccccc1 ZINC000192528174 455636458 /nfs/dbraw/zinc/63/64/58/455636458.db2.gz UFAJLKLESADYOF-UHFFFAOYSA-N 1 2 333.428 3.288 20 30 EGEDLO C=CC[N@H+](CCS(=O)(=O)c1ccc(F)cc1)Cc1ccccc1 ZINC000192528174 455636463 /nfs/dbraw/zinc/63/64/63/455636463.db2.gz UFAJLKLESADYOF-UHFFFAOYSA-N 1 2 333.428 3.288 20 30 EGEDLO CC(C)c1[nH+]c2ccccc2n1Cc1noc(CSCC#N)n1 ZINC000277801070 455669973 /nfs/dbraw/zinc/66/99/73/455669973.db2.gz AKJJYWPAKQIUCE-UHFFFAOYSA-N 1 2 327.413 3.348 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000292543347 455692071 /nfs/dbraw/zinc/69/20/71/455692071.db2.gz XXWRKWSGVLBOQL-CABCVRRESA-N 1 2 335.407 3.168 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000292543347 455692076 /nfs/dbraw/zinc/69/20/76/455692076.db2.gz XXWRKWSGVLBOQL-CABCVRRESA-N 1 2 335.407 3.168 20 30 EGEDLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193125938 455743686 /nfs/dbraw/zinc/74/36/86/455743686.db2.gz VIXMLZARNHQTFA-GOSISDBHSA-N 1 2 347.462 3.049 20 30 EGEDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193125938 455743690 /nfs/dbraw/zinc/74/36/90/455743690.db2.gz VIXMLZARNHQTFA-GOSISDBHSA-N 1 2 347.462 3.049 20 30 EGEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186507898 455783943 /nfs/dbraw/zinc/78/39/43/455783943.db2.gz HAAFWAGYGNUVAD-UHFFFAOYSA-N 1 2 346.352 3.459 20 30 EGEDLO CC[C@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccc(C#N)cc1 ZINC000278356732 455827606 /nfs/dbraw/zinc/82/76/06/455827606.db2.gz BEGYORBXGMWLEB-SFHVURJKSA-N 1 2 347.422 3.496 20 30 EGEDLO C#CCCOc1ccc(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc1 ZINC000295792972 455859445 /nfs/dbraw/zinc/85/94/45/455859445.db2.gz FHZDRDYYKXWMQL-QGZVFWFLSA-N 1 2 337.423 3.046 20 30 EGEDLO C/C=C\c1ccc(OC[C@@H](O)C[N@H+](CC#N)C2CCCC2)c(OC)c1 ZINC000255658085 455871933 /nfs/dbraw/zinc/87/19/33/455871933.db2.gz DUWCBOHRQXZSIH-CJISVDGZSA-N 1 2 344.455 3.236 20 30 EGEDLO C/C=C\c1ccc(OC[C@@H](O)C[N@@H+](CC#N)C2CCCC2)c(OC)c1 ZINC000255658085 455871937 /nfs/dbraw/zinc/87/19/37/455871937.db2.gz DUWCBOHRQXZSIH-CJISVDGZSA-N 1 2 344.455 3.236 20 30 EGEDLO N#CCSCCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000187854997 455961200 /nfs/dbraw/zinc/96/12/00/455961200.db2.gz SSNDABYZPGFQMV-OAHLLOKOSA-N 1 2 328.840 3.499 20 30 EGEDLO N#CCSCCC[N@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000187854997 455961201 /nfs/dbraw/zinc/96/12/01/455961201.db2.gz SSNDABYZPGFQMV-OAHLLOKOSA-N 1 2 328.840 3.499 20 30 EGEDLO C=CC[N@H+](CCc1ccccc1)Cc1noc(C2CCOCC2)n1 ZINC000195515345 455975635 /nfs/dbraw/zinc/97/56/35/455975635.db2.gz KGAIJFSNGSCPQT-UHFFFAOYSA-N 1 2 327.428 3.194 20 30 EGEDLO C=CC[N@@H+](CCc1ccccc1)Cc1noc(C2CCOCC2)n1 ZINC000195515345 455975641 /nfs/dbraw/zinc/97/56/41/455975641.db2.gz KGAIJFSNGSCPQT-UHFFFAOYSA-N 1 2 327.428 3.194 20 30 EGEDLO C#CCOc1ccccc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000188133595 456005391 /nfs/dbraw/zinc/00/53/91/456005391.db2.gz KJBWMRPYWURXRY-DOTOQJQBSA-N 1 2 338.411 3.010 20 30 EGEDLO C#CCN(Cc1ccccc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000287020479 456059843 /nfs/dbraw/zinc/05/98/43/456059843.db2.gz IBRFMTPYFNVJQB-UHFFFAOYSA-N 1 2 348.450 3.027 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC(F)(F)[C@H](C)C2)c(C#N)c1C ZINC000289821883 456145299 /nfs/dbraw/zinc/14/52/99/456145299.db2.gz ODKRPINTVDKNHJ-SECBINFHSA-N 1 2 327.400 3.152 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CCC(F)(F)[C@H](C)C2)c(C#N)c1C ZINC000289821883 456145305 /nfs/dbraw/zinc/14/53/05/456145305.db2.gz ODKRPINTVDKNHJ-SECBINFHSA-N 1 2 327.400 3.152 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2csc(-c3ccc(F)cc3)n2)C1=O ZINC000281206574 456165128 /nfs/dbraw/zinc/16/51/28/456165128.db2.gz JJUYTXTYSBOXBB-MRXNPFEDSA-N 1 2 345.443 3.168 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2csc(-c3ccc(F)cc3)n2)C1=O ZINC000281206574 456165134 /nfs/dbraw/zinc/16/51/34/456165134.db2.gz JJUYTXTYSBOXBB-MRXNPFEDSA-N 1 2 345.443 3.168 20 30 EGEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2csc(Cl)n2)CC1 ZINC000290035946 456222450 /nfs/dbraw/zinc/22/24/50/456222450.db2.gz NRCPPTFWHJLPNF-UHFFFAOYSA-N 1 2 332.860 3.380 20 30 EGEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2csc(Cl)n2)CC1 ZINC000290035946 456222454 /nfs/dbraw/zinc/22/24/54/456222454.db2.gz NRCPPTFWHJLPNF-UHFFFAOYSA-N 1 2 332.860 3.380 20 30 EGEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCc4cc(F)ccc4C3)C2=O)cc1 ZINC000352772135 456294085 /nfs/dbraw/zinc/29/40/85/456294085.db2.gz PDTUONFARWGZHH-FQEVSTJZSA-N 1 2 349.409 3.251 20 30 EGEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCc4cc(F)ccc4C3)C2=O)cc1 ZINC000352772135 456294090 /nfs/dbraw/zinc/29/40/90/456294090.db2.gz PDTUONFARWGZHH-FQEVSTJZSA-N 1 2 349.409 3.251 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000352793007 456312719 /nfs/dbraw/zinc/31/27/19/456312719.db2.gz OKWAGNUSAGDFLF-YESZJQIVSA-N 1 2 348.487 3.328 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000352793007 456312728 /nfs/dbraw/zinc/31/27/28/456312728.db2.gz OKWAGNUSAGDFLF-YESZJQIVSA-N 1 2 348.487 3.328 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N1CCCC[C@H]1CC ZINC000352796050 456316191 /nfs/dbraw/zinc/31/61/91/456316191.db2.gz FYIORMNNBWWBNT-DLBZAZTESA-N 1 2 348.487 3.330 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N1CCCC[C@H]1CC ZINC000352796050 456316194 /nfs/dbraw/zinc/31/61/94/456316194.db2.gz FYIORMNNBWWBNT-DLBZAZTESA-N 1 2 348.487 3.330 20 30 EGEDLO C#CCC[NH+]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302326431 456335415 /nfs/dbraw/zinc/33/54/15/456335415.db2.gz YDXOLJCXHOBSCZ-UHFFFAOYSA-N 1 2 328.199 3.047 20 30 EGEDLO N#CC1(CCC[N@@H+]2CCO[C@H](c3ccccc3F)C2)CCOCC1 ZINC000281976882 456379867 /nfs/dbraw/zinc/37/98/67/456379867.db2.gz LQJUVSUJMASEFK-SFHVURJKSA-N 1 2 332.419 3.300 20 30 EGEDLO N#CC1(CCC[N@H+]2CCO[C@H](c3ccccc3F)C2)CCOCC1 ZINC000281976882 456379871 /nfs/dbraw/zinc/37/98/71/456379871.db2.gz LQJUVSUJMASEFK-SFHVURJKSA-N 1 2 332.419 3.300 20 30 EGEDLO C[C@@H]1CN(c2ccc(NCc3cc(C#N)cs3)c[nH+]2)C[C@H](C)O1 ZINC000347810872 456380666 /nfs/dbraw/zinc/38/06/66/456380666.db2.gz LTLQOWAMFITFIV-BETUJISGSA-N 1 2 328.441 3.240 20 30 EGEDLO Cn1cc(Br)cc1C[N@H+](C)Cc1cccc(C#N)c1F ZINC000352887958 456392393 /nfs/dbraw/zinc/39/23/93/456392393.db2.gz LVWKFMSUBLGLHG-UHFFFAOYSA-N 1 2 336.208 3.430 20 30 EGEDLO Cn1cc(Br)cc1C[N@@H+](C)Cc1cccc(C#N)c1F ZINC000352887958 456392395 /nfs/dbraw/zinc/39/23/95/456392395.db2.gz LVWKFMSUBLGLHG-UHFFFAOYSA-N 1 2 336.208 3.430 20 30 EGEDLO CCOC(CC/[NH+]=C/c1cc(Br)ccc1O)OCC ZINC000276198814 456412097 /nfs/dbraw/zinc/41/20/97/456412097.db2.gz DZKWJDQSOJXWNV-MHWRWJLKSA-N 1 2 330.222 3.363 20 30 EGEDLO C=CCOc1ccc(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000337634034 456442397 /nfs/dbraw/zinc/44/23/97/456442397.db2.gz OQDREAQEAJNTDU-MRXNPFEDSA-N 1 2 325.412 3.064 20 30 EGEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccn(-c3ccccc3)n2)CC1 ZINC000337697101 456487400 /nfs/dbraw/zinc/48/74/00/456487400.db2.gz YRGFBKIHQHHIQY-UHFFFAOYSA-N 1 2 343.434 3.066 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Br)C[C@@H](C2CC2)O1 ZINC000348231987 456553080 /nfs/dbraw/zinc/55/30/80/456553080.db2.gz IPTTYFMOGMQNJR-BZNIZROVSA-N 1 2 335.245 3.320 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)C[C@@H](C2CC2)O1 ZINC000348231987 456553085 /nfs/dbraw/zinc/55/30/85/456553085.db2.gz IPTTYFMOGMQNJR-BZNIZROVSA-N 1 2 335.245 3.320 20 30 EGEDLO CC(C)[N@H+](CC(=O)N1CCCCCC1)Cc1cc(C#N)ccc1F ZINC000353218334 456567582 /nfs/dbraw/zinc/56/75/82/456567582.db2.gz JMBCXPSMALSDCR-UHFFFAOYSA-N 1 2 331.435 3.310 20 30 EGEDLO CC(C)[N@@H+](CC(=O)N1CCCCCC1)Cc1cc(C#N)ccc1F ZINC000353218334 456567589 /nfs/dbraw/zinc/56/75/89/456567589.db2.gz JMBCXPSMALSDCR-UHFFFAOYSA-N 1 2 331.435 3.310 20 30 EGEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCC(F)(F)F)CC1 ZINC000348330880 456629482 /nfs/dbraw/zinc/62/94/82/456629482.db2.gz YUEFSYHCMRJDGO-AWEZNQCLSA-N 1 2 331.769 3.475 20 30 EGEDLO Cc1c(Cl)cnc(NCc2cccc(Cn3cc[nH+]c3)c2)c1C#N ZINC000343504031 456664201 /nfs/dbraw/zinc/66/42/01/456664201.db2.gz BFUACQZXRVMPIL-UHFFFAOYSA-N 1 2 337.814 3.194 20 30 EGEDLO C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C#N)c1ccc2c(c1)CCCC2 ZINC000353454239 456699008 /nfs/dbraw/zinc/69/90/08/456699008.db2.gz ISQHXJMHMFTMSP-BZUAXINKSA-N 1 2 327.472 3.223 20 30 EGEDLO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)C[C@H](C)C#N)c1ccc2c(c1)CCCC2 ZINC000353454239 456699013 /nfs/dbraw/zinc/69/90/13/456699013.db2.gz ISQHXJMHMFTMSP-BZUAXINKSA-N 1 2 327.472 3.223 20 30 EGEDLO Cc1cn2cc(C(=O)NC[C@@H]3CCCn4cc(C)[nH+]c43)sc2n1 ZINC000328656212 456728833 /nfs/dbraw/zinc/72/88/33/456728833.db2.gz NNIMDVBGCLKHEB-LBPRGKRZSA-N 1 2 329.429 3.091 20 30 EGEDLO CCc1nc(CN2CC[NH+](Cc3cccc(C#N)c3F)CC2)cs1 ZINC000340877307 456734391 /nfs/dbraw/zinc/73/43/91/456734391.db2.gz ASCLZADKXAGYCC-UHFFFAOYSA-N 1 2 344.459 3.034 20 30 EGEDLO Cc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)C2CC2)cc1 ZINC000328770192 456757156 /nfs/dbraw/zinc/75/71/56/456757156.db2.gz GQYTZTPCSXXRFW-LMMKCTJWSA-N 1 2 341.455 3.453 20 30 EGEDLO Cc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)C2CC2)cc1 ZINC000328770192 456757158 /nfs/dbraw/zinc/75/71/58/456757158.db2.gz GQYTZTPCSXXRFW-LMMKCTJWSA-N 1 2 341.455 3.453 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000328771636 456757379 /nfs/dbraw/zinc/75/73/79/456757379.db2.gz ASNCYEJUPLTNQA-HZPDHXFCSA-N 1 2 346.475 3.005 20 30 EGEDLO C=CCn1c(SCc2c[nH+]ccc2OC)nnc1-c1ccco1 ZINC000343839461 456776718 /nfs/dbraw/zinc/77/67/18/456776718.db2.gz LPMVYEFCPMBHKD-UHFFFAOYSA-N 1 2 328.397 3.420 20 30 EGEDLO C[C@H](C#N)C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000338345709 456778807 /nfs/dbraw/zinc/77/88/07/456778807.db2.gz HBINISPBPXNECH-CYBMUJFWSA-N 1 2 340.383 3.416 20 30 EGEDLO C[C@H](C#N)C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000338345709 456778811 /nfs/dbraw/zinc/77/88/11/456778811.db2.gz HBINISPBPXNECH-CYBMUJFWSA-N 1 2 340.383 3.416 20 30 EGEDLO COc1ccc(C#N)cc1C[N@@H+]1CCc2c(ccc(OC)c2OC)C1 ZINC000340977664 456794559 /nfs/dbraw/zinc/79/45/59/456794559.db2.gz SWIPEXSKWJWWMG-UHFFFAOYSA-N 1 2 338.407 3.142 20 30 EGEDLO COc1ccc(C#N)cc1C[N@H+]1CCc2c(ccc(OC)c2OC)C1 ZINC000340977664 456794561 /nfs/dbraw/zinc/79/45/61/456794561.db2.gz SWIPEXSKWJWWMG-UHFFFAOYSA-N 1 2 338.407 3.142 20 30 EGEDLO CCOc1cc2c(cc1NC(=O)[C@H]1CCn3c[nH+]cc3C1)O[C@@H](C)C2 ZINC000328937601 456795780 /nfs/dbraw/zinc/79/57/80/456795780.db2.gz RIHQPLWUKMXCBU-STQMWFEESA-N 1 2 341.411 3.456 20 30 EGEDLO C=CCOc1ccc(C(=O)Nc2ccc3[nH]c(N(C)C)[nH+]c3c2)cc1 ZINC000344104461 456797809 /nfs/dbraw/zinc/79/78/09/456797809.db2.gz RKMMCEBRZIEWMO-UHFFFAOYSA-N 1 2 336.395 3.446 20 30 EGEDLO Cn1cc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c(C2CCCCC2)n1 ZINC000328982545 456807178 /nfs/dbraw/zinc/80/71/78/456807178.db2.gz YMOJTTCUEBHIEU-CYBMUJFWSA-N 1 2 327.432 3.053 20 30 EGEDLO Cn1cc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c(C2CCCCC2)n1 ZINC000328982545 456807180 /nfs/dbraw/zinc/80/71/80/456807180.db2.gz YMOJTTCUEBHIEU-CYBMUJFWSA-N 1 2 327.432 3.053 20 30 EGEDLO N#Cc1cc(F)ccc1NC[C@H](c1ccc(F)cc1)[NH+]1CCOCC1 ZINC000301166689 456812617 /nfs/dbraw/zinc/81/26/17/456812617.db2.gz DTHHTHCMXHLXEM-LJQANCHMSA-N 1 2 343.377 3.322 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC[C@@H](C3CC3)C1)C2 ZINC000329007958 456813245 /nfs/dbraw/zinc/81/32/45/456813245.db2.gz YOCGVNMYWVDHDX-CABCVRRESA-N 1 2 330.476 3.141 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(N)[nH+]c1 ZINC000338441805 456821571 /nfs/dbraw/zinc/82/15/71/456821571.db2.gz XNLXTTXRYUBKKO-GFCCVEGCSA-N 1 2 341.440 3.210 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCc3ccccc3[C@H]2CO)c(OC(F)F)c1 ZINC000353645481 456826481 /nfs/dbraw/zinc/82/64/81/456826481.db2.gz AKNSNYXTQUAGSP-QGZVFWFLSA-N 1 2 344.361 3.251 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCc3ccccc3[C@H]2CO)c(OC(F)F)c1 ZINC000353645481 456826485 /nfs/dbraw/zinc/82/64/85/456826485.db2.gz AKNSNYXTQUAGSP-QGZVFWFLSA-N 1 2 344.361 3.251 20 30 EGEDLO C=CC[N@H+](CC(=O)NC(=O)Nc1ccccc1)Cc1ccccc1F ZINC000341241637 456827223 /nfs/dbraw/zinc/82/72/23/456827223.db2.gz YKOMCGFNGTULFK-UHFFFAOYSA-N 1 2 341.386 3.162 20 30 EGEDLO C=CC[N@@H+](CC(=O)NC(=O)Nc1ccccc1)Cc1ccccc1F ZINC000341241637 456827227 /nfs/dbraw/zinc/82/72/27/456827227.db2.gz YKOMCGFNGTULFK-UHFFFAOYSA-N 1 2 341.386 3.162 20 30 EGEDLO CC1(C)C[C@H](NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)C(C)(C)O1 ZINC000329233296 456858590 /nfs/dbraw/zinc/85/85/90/456858590.db2.gz GUPTWOHZJPTBJF-INIZCTEOSA-N 1 2 342.443 3.222 20 30 EGEDLO CC[C@H]1C[C@@H](C(=O)Nc2ccccc2C[NH+]2CCOCC2)CC(=O)N1 ZINC000329372384 456880331 /nfs/dbraw/zinc/88/03/31/456880331.db2.gz BBZCWWWEOPRREQ-CVEARBPZSA-N 1 2 345.443 3.252 20 30 EGEDLO N#Cc1cccc(CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000341655190 456886205 /nfs/dbraw/zinc/88/62/05/456886205.db2.gz IAINJZYHXWRYPB-GOSISDBHSA-N 1 2 330.391 3.120 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(C)c(F)c3)C2)[nH]1 ZINC000329423831 456888182 /nfs/dbraw/zinc/88/81/82/456888182.db2.gz GFKXHTCQGOCQSF-CYBMUJFWSA-N 1 2 331.395 3.028 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(C)c(F)c3)C2)[nH]1 ZINC000329423831 456888186 /nfs/dbraw/zinc/88/81/86/456888186.db2.gz GFKXHTCQGOCQSF-CYBMUJFWSA-N 1 2 331.395 3.028 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(C)c(F)c3)C2)n1 ZINC000329423831 456888188 /nfs/dbraw/zinc/88/81/88/456888188.db2.gz GFKXHTCQGOCQSF-CYBMUJFWSA-N 1 2 331.395 3.028 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(C)c(F)c3)C2)n1 ZINC000329423831 456888191 /nfs/dbraw/zinc/88/81/91/456888191.db2.gz GFKXHTCQGOCQSF-CYBMUJFWSA-N 1 2 331.395 3.028 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1cc(C#N)c2ccccc2n1 ZINC000345002929 456893828 /nfs/dbraw/zinc/89/38/28/456893828.db2.gz CCGQKBKDCILNHO-UHFFFAOYSA-N 1 2 341.374 3.403 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)NCCC3CCCCC3)C2)[nH]1 ZINC000329488358 456898224 /nfs/dbraw/zinc/89/82/24/456898224.db2.gz UKIXHXRTLXSHGU-MRXNPFEDSA-N 1 2 333.480 3.219 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)NCCC3CCCCC3)C2)[nH]1 ZINC000329488358 456898230 /nfs/dbraw/zinc/89/82/30/456898230.db2.gz UKIXHXRTLXSHGU-MRXNPFEDSA-N 1 2 333.480 3.219 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)NCCC3CCCCC3)C2)n1 ZINC000329488358 456898234 /nfs/dbraw/zinc/89/82/34/456898234.db2.gz UKIXHXRTLXSHGU-MRXNPFEDSA-N 1 2 333.480 3.219 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)NCCC3CCCCC3)C2)n1 ZINC000329488358 456898237 /nfs/dbraw/zinc/89/82/37/456898237.db2.gz UKIXHXRTLXSHGU-MRXNPFEDSA-N 1 2 333.480 3.219 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)NCCC3CCCCC3)C2)n[nH]1 ZINC000329488358 456898242 /nfs/dbraw/zinc/89/82/42/456898242.db2.gz UKIXHXRTLXSHGU-MRXNPFEDSA-N 1 2 333.480 3.219 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)NCCC3CCCCC3)C2)n[nH]1 ZINC000329488358 456898244 /nfs/dbraw/zinc/89/82/44/456898244.db2.gz UKIXHXRTLXSHGU-MRXNPFEDSA-N 1 2 333.480 3.219 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCOCC2(CC2)C1 ZINC000329486523 456898308 /nfs/dbraw/zinc/89/83/08/456898308.db2.gz XLFQHWPUCLQWSH-LBPRGKRZSA-N 1 2 333.819 3.301 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCOCC2(CC2)C1 ZINC000329486523 456898310 /nfs/dbraw/zinc/89/83/10/456898310.db2.gz XLFQHWPUCLQWSH-LBPRGKRZSA-N 1 2 333.819 3.301 20 30 EGEDLO CCN1CCOC[C@H]1C(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000329519466 456903134 /nfs/dbraw/zinc/90/31/34/456903134.db2.gz QBHYHJYDMCQURF-WBVHZDCISA-N 1 2 346.475 3.078 20 30 EGEDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)[C@@H]1C[C@@]12CCOC2 ZINC000329549673 456907019 /nfs/dbraw/zinc/90/70/19/456907019.db2.gz ACPBADQEEHYALI-QFBILLFUSA-N 1 2 329.444 3.345 20 30 EGEDLO C[C@]1(c2ccccc2)CCCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329631735 456918599 /nfs/dbraw/zinc/91/85/99/456918599.db2.gz VZZVIONADTVLFM-JXFKEZNVSA-N 1 2 338.455 3.235 20 30 EGEDLO C[C@]1(c2ccccc2)CCCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329631735 456918600 /nfs/dbraw/zinc/91/86/00/456918600.db2.gz VZZVIONADTVLFM-JXFKEZNVSA-N 1 2 338.455 3.235 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1C[C@@]12CCOC2)c1ccc(F)cc1 ZINC000329652234 456922192 /nfs/dbraw/zinc/92/21/92/456922192.db2.gz KUWBLLYAXFUSGY-HDMKZQKVSA-N 1 2 329.375 3.032 20 30 EGEDLO Cc1noc(C2CC2)c1NC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000329805374 456943453 /nfs/dbraw/zinc/94/34/53/456943453.db2.gz KRQCLRHAJQKHIY-UHFFFAOYSA-N 1 2 343.431 3.094 20 30 EGEDLO Cc1nc2ccccn2c1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341813461 456955646 /nfs/dbraw/zinc/95/56/46/456955646.db2.gz QYVPYNGYZPHHFS-IBGZPJMESA-N 1 2 332.407 3.088 20 30 EGEDLO Cc1nc2ccccn2c1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341813461 456955650 /nfs/dbraw/zinc/95/56/50/456955650.db2.gz QYVPYNGYZPHHFS-IBGZPJMESA-N 1 2 332.407 3.088 20 30 EGEDLO CCN1CC[N@@H+]([C@H](C)C(=O)NC2CCC(C)CC2)C[C@@H]1c1ncc[nH]1 ZINC000329901646 456958618 /nfs/dbraw/zinc/95/86/18/456958618.db2.gz HCGGWWFEVISCGZ-MNAZLIDISA-N 1 2 347.507 3.012 20 30 EGEDLO CCN1CC[N@H+]([C@H](C)C(=O)NC2CCC(C)CC2)C[C@@H]1c1ncc[nH]1 ZINC000329901646 456958622 /nfs/dbraw/zinc/95/86/22/456958622.db2.gz HCGGWWFEVISCGZ-MNAZLIDISA-N 1 2 347.507 3.012 20 30 EGEDLO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000341833097 456963849 /nfs/dbraw/zinc/96/38/49/456963849.db2.gz OBIQIAAKKHIWBQ-CQSZACIVSA-N 1 2 328.437 3.155 20 30 EGEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000341833097 456963852 /nfs/dbraw/zinc/96/38/52/456963852.db2.gz OBIQIAAKKHIWBQ-CQSZACIVSA-N 1 2 328.437 3.155 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cc(=O)[nH]c(C3CC3)c1)CCC2 ZINC000329946484 456965148 /nfs/dbraw/zinc/96/51/48/456965148.db2.gz GJZXJELHZGOIOK-ZDUSSCGKSA-N 1 2 326.400 3.052 20 30 EGEDLO O=C(NC1CCC(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1)C1CC1 ZINC000330009853 456973861 /nfs/dbraw/zinc/97/38/61/456973861.db2.gz HPHSMNMEEGSOOY-UHFFFAOYSA-N 1 2 344.459 3.041 20 30 EGEDLO O=C(NC1CCC(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1)C1CC1 ZINC000330009853 456973864 /nfs/dbraw/zinc/97/38/64/456973864.db2.gz HPHSMNMEEGSOOY-UHFFFAOYSA-N 1 2 344.459 3.041 20 30 EGEDLO C[C@@H]1CCCc2ccccc2[C@@H]1[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330163082 456993635 /nfs/dbraw/zinc/99/36/35/456993635.db2.gz ARMMPSFMCMKGCA-IDHHARJASA-N 1 2 338.455 3.415 20 30 EGEDLO [O-]C(NC[C@H]1CCc2[nH+]ccn2C1)=[NH+]C[C@@H]1CCCCC(F)(F)C1 ZINC000330202363 457001503 /nfs/dbraw/zinc/00/15/03/457001503.db2.gz ZEUDLJSPFDOCLZ-ZIAGYGMSSA-N 1 2 340.418 3.165 20 30 EGEDLO [O-]C(NC[C@@H]1CCCCC(F)(F)C1)=[NH+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000330202363 457001507 /nfs/dbraw/zinc/00/15/07/457001507.db2.gz ZEUDLJSPFDOCLZ-ZIAGYGMSSA-N 1 2 340.418 3.165 20 30 EGEDLO CC(C)c1nnc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)[nH]1 ZINC000330332594 457029093 /nfs/dbraw/zinc/02/90/93/457029093.db2.gz XZWAOQCZZFXBPR-CQSZACIVSA-N 1 2 327.432 3.428 20 30 EGEDLO CC(C)c1nnc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)[nH]1 ZINC000330332594 457029098 /nfs/dbraw/zinc/02/90/98/457029098.db2.gz XZWAOQCZZFXBPR-CQSZACIVSA-N 1 2 327.432 3.428 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)Nc1cccc2c1OCO2 ZINC000330345839 457032878 /nfs/dbraw/zinc/03/28/78/457032878.db2.gz FRNSHLHVPNORBG-AWEZNQCLSA-N 1 2 342.399 3.404 20 30 EGEDLO COCC1(C#N)CC[NH+]([C@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000341980193 457038717 /nfs/dbraw/zinc/03/87/17/457038717.db2.gz CIGLNPPVHHKJAE-CQSZACIVSA-N 1 2 326.400 3.050 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000341982002 457040093 /nfs/dbraw/zinc/04/00/93/457040093.db2.gz CQJSSVKPZGNNOU-UHFFFAOYSA-N 1 2 346.818 3.142 20 30 EGEDLO C=CC[C@@H](CC)NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000346423026 457042537 /nfs/dbraw/zinc/04/25/37/457042537.db2.gz YODCPZMHMIZQAG-RTBURBONSA-N 1 2 345.487 3.022 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2nc3ccccc3n2C(F)F)CC1 ZINC000341987739 457044954 /nfs/dbraw/zinc/04/49/54/457044954.db2.gz IAHQNTFXQIYZGX-UHFFFAOYSA-N 1 2 334.370 3.184 20 30 EGEDLO COCC1(C#N)CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000341999852 457052950 /nfs/dbraw/zinc/05/29/50/457052950.db2.gz VNPPUOWFYOTSFB-AWEZNQCLSA-N 1 2 349.862 3.228 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)NCc1cc(C#N)ccc1F ZINC000354171482 457107731 /nfs/dbraw/zinc/10/77/31/457107731.db2.gz IUVOFZPCJCBNTO-UHFFFAOYSA-N 1 2 336.370 3.062 20 30 EGEDLO C[C@H]1COc2ccccc2C[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000359852754 457134821 /nfs/dbraw/zinc/13/48/21/457134821.db2.gz VNFDSDMFLNCGKL-KRWDZBQOSA-N 1 2 349.434 3.216 20 30 EGEDLO C[C@H]1COc2ccccc2C[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000359852754 457134827 /nfs/dbraw/zinc/13/48/27/457134827.db2.gz VNFDSDMFLNCGKL-KRWDZBQOSA-N 1 2 349.434 3.216 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1)OCC ZINC000339607860 457171175 /nfs/dbraw/zinc/17/11/75/457171175.db2.gz MCZZSVNPIZSZHY-VQIMIIECSA-N 1 2 348.462 3.402 20 30 EGEDLO C=CCSCCNC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000354417369 457209547 /nfs/dbraw/zinc/20/95/47/457209547.db2.gz DMUFWORQVGNQCS-UHFFFAOYSA-N 1 2 329.469 3.339 20 30 EGEDLO CCc1[nH+]c2ccccc2n1Cc1noc(-c2cc(C#N)oc2C)n1 ZINC000347061600 457210287 /nfs/dbraw/zinc/21/02/87/457210287.db2.gz ALWXOCNUJIRPGH-UHFFFAOYSA-N 1 2 333.351 3.470 20 30 EGEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000339755383 457249868 /nfs/dbraw/zinc/24/98/68/457249868.db2.gz GXFCXRGNSWDMNX-CYBMUJFWSA-N 1 2 343.452 3.101 20 30 EGEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000339755383 457249887 /nfs/dbraw/zinc/24/98/87/457249887.db2.gz GXFCXRGNSWDMNX-CYBMUJFWSA-N 1 2 343.452 3.101 20 30 EGEDLO C=CCCC1(C(=O)NC[C@H](c2cccc(C)c2)[NH+]2CCOCC2)CC1 ZINC000354538178 457276772 /nfs/dbraw/zinc/27/67/72/457276772.db2.gz GGTZHSGQXKGLCA-LJQANCHMSA-N 1 2 342.483 3.231 20 30 EGEDLO C[NH+](C)[C@@H](CNc1nccc(C#N)c1Cl)c1c(F)cccc1F ZINC000342419611 457293204 /nfs/dbraw/zinc/29/32/04/457293204.db2.gz UGFFOGCJFAINIV-ZDUSSCGKSA-N 1 2 336.773 3.022 20 30 EGEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC000363347098 457300585 /nfs/dbraw/zinc/30/05/85/457300585.db2.gz CQAWITGCRADHTB-SFHVURJKSA-N 1 2 339.826 3.275 20 30 EGEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC000363347098 457300587 /nfs/dbraw/zinc/30/05/87/457300587.db2.gz CQAWITGCRADHTB-SFHVURJKSA-N 1 2 339.826 3.275 20 30 EGEDLO C=CCCCCNC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000351631135 457308359 /nfs/dbraw/zinc/30/83/59/457308359.db2.gz FAUBTVKDXBEFMF-UHFFFAOYSA-N 1 2 326.444 3.281 20 30 EGEDLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000357082800 457313548 /nfs/dbraw/zinc/31/35/48/457313548.db2.gz JNNLZVPSLHLOJB-ZBFHGGJFSA-N 1 2 349.862 3.086 20 30 EGEDLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000357082800 457313552 /nfs/dbraw/zinc/31/35/52/457313552.db2.gz JNNLZVPSLHLOJB-ZBFHGGJFSA-N 1 2 349.862 3.086 20 30 EGEDLO CC(C)CCN(CCC#N)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000354813760 457321153 /nfs/dbraw/zinc/32/11/53/457321153.db2.gz RURCNEFDHDKXHH-UHFFFAOYSA-N 1 2 338.455 3.262 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1C ZINC000351966957 457326275 /nfs/dbraw/zinc/32/62/75/457326275.db2.gz GWGROIIDILIVHV-RBUKOAKNSA-N 1 2 330.472 3.363 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1C ZINC000351966957 457326283 /nfs/dbraw/zinc/32/62/83/457326283.db2.gz GWGROIIDILIVHV-RBUKOAKNSA-N 1 2 330.472 3.363 20 30 EGEDLO COc1cc[nH+]cc1COc1c(Br)cccc1CC#N ZINC000352215078 457349131 /nfs/dbraw/zinc/34/91/31/457349131.db2.gz ZOGAKALXDBIISK-UHFFFAOYSA-N 1 2 333.185 3.498 20 30 EGEDLO C[N@H+](CCC(F)(F)F)CC(=O)Nc1ccccc1SCC#N ZINC000355433755 457372709 /nfs/dbraw/zinc/37/27/09/457372709.db2.gz HBRMIDMYNCRIGL-UHFFFAOYSA-N 1 2 331.363 3.125 20 30 EGEDLO C[N@@H+](CCC(F)(F)F)CC(=O)Nc1ccccc1SCC#N ZINC000355433755 457372711 /nfs/dbraw/zinc/37/27/11/457372711.db2.gz HBRMIDMYNCRIGL-UHFFFAOYSA-N 1 2 331.363 3.125 20 30 EGEDLO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352457750 457383355 /nfs/dbraw/zinc/38/33/55/457383355.db2.gz FIGAZKJZXLKEQT-MRXNPFEDSA-N 1 2 343.446 3.141 20 30 EGEDLO N#Cc1c(Br)cccc1N1CC[NH+](Cc2ccco2)CC1 ZINC000357318493 457442950 /nfs/dbraw/zinc/44/29/50/457442950.db2.gz SWVBGKIEKZXSES-UHFFFAOYSA-N 1 2 346.228 3.236 20 30 EGEDLO Cc1cc(N2CCC(c3nc(-c4ccccn4)no3)CC2)c(C#N)c[nH+]1 ZINC000425234246 457467523 /nfs/dbraw/zinc/46/75/23/457467523.db2.gz YMYJKGIZOQJARL-UHFFFAOYSA-N 1 2 346.394 3.091 20 30 EGEDLO Cc1cc(NC[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)c(C#N)c[nH+]1 ZINC000425252245 457472124 /nfs/dbraw/zinc/47/21/24/457472124.db2.gz AMTKMQMMRWVNBA-PMACEKPBSA-N 1 2 339.414 3.009 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000397597891 457490231 /nfs/dbraw/zinc/49/02/31/457490231.db2.gz MHOBRLJAOPFWFI-GFCCVEGCSA-N 1 2 336.233 3.013 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000397597891 457490236 /nfs/dbraw/zinc/49/02/36/457490236.db2.gz MHOBRLJAOPFWFI-GFCCVEGCSA-N 1 2 336.233 3.013 20 30 EGEDLO C=C1CCN(C(=O)c2c3ccccc3nc3c2C[N@H+](CC)CC3)CC1 ZINC000342791031 457531540 /nfs/dbraw/zinc/53/15/40/457531540.db2.gz SCBWRWMBDGLCGD-UHFFFAOYSA-N 1 2 335.451 3.405 20 30 EGEDLO C=C1CCN(C(=O)c2c3ccccc3nc3c2C[N@@H+](CC)CC3)CC1 ZINC000342791031 457531545 /nfs/dbraw/zinc/53/15/45/457531545.db2.gz SCBWRWMBDGLCGD-UHFFFAOYSA-N 1 2 335.451 3.405 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2ccccc2OC(F)(F)F)CC1 ZINC000342835378 457549425 /nfs/dbraw/zinc/54/94/25/457549425.db2.gz DWTFGFIJPBXXDR-UHFFFAOYSA-N 1 2 328.334 3.337 20 30 EGEDLO Cc1noc(C2(C)CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)n1 ZINC000364339272 457568413 /nfs/dbraw/zinc/56/84/13/457568413.db2.gz CRIWKWQVHNKUNL-UHFFFAOYSA-N 1 2 330.819 3.457 20 30 EGEDLO CC#CC[NH+]1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000357607053 457620106 /nfs/dbraw/zinc/62/01/06/457620106.db2.gz JLTDASBAJSJBPP-UHFFFAOYSA-N 1 2 348.446 3.047 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000364570115 457644829 /nfs/dbraw/zinc/64/48/29/457644829.db2.gz GPWWXYMQYWKZMM-CQSZACIVSA-N 1 2 329.400 3.187 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000364570115 457644832 /nfs/dbraw/zinc/64/48/32/457644832.db2.gz GPWWXYMQYWKZMM-CQSZACIVSA-N 1 2 329.400 3.187 20 30 EGEDLO CCOC(=O)c1c[nH+]c2ccccc2c1NCc1cc(C#N)ccc1F ZINC000361281236 457677766 /nfs/dbraw/zinc/67/77/66/457677766.db2.gz NCCXBXZJNTYRBO-UHFFFAOYSA-N 1 2 349.365 3.456 20 30 EGEDLO C=C(C)[C@H](CC(=O)N1CC[NH2+][C@@H](c2ccccc2Cl)C1)OCC ZINC000374866802 457723037 /nfs/dbraw/zinc/72/30/37/457723037.db2.gz AROZJGUKEZLUTE-SJORKVTESA-N 1 2 336.863 3.184 20 30 EGEDLO CC(C)(C#N)CC[N@@H+]1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000365186319 457729348 /nfs/dbraw/zinc/72/93/48/457729348.db2.gz XFLCQAYOURSMSA-OAHLLOKOSA-N 1 2 332.448 3.430 20 30 EGEDLO CC(C)(C#N)CC[N@H+]1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000365186319 457729352 /nfs/dbraw/zinc/72/93/52/457729352.db2.gz XFLCQAYOURSMSA-OAHLLOKOSA-N 1 2 332.448 3.430 20 30 EGEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000366608666 457869116 /nfs/dbraw/zinc/86/91/16/457869116.db2.gz FIXKCLZOIMRWQU-HNNXBMFYSA-N 1 2 329.407 3.258 20 30 EGEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000366608666 457869123 /nfs/dbraw/zinc/86/91/23/457869123.db2.gz FIXKCLZOIMRWQU-HNNXBMFYSA-N 1 2 329.407 3.258 20 30 EGEDLO N#CC1(CCN2CC[NH+](Cc3cccc(O)c3)CC2)CCCCC1 ZINC000411388245 457871591 /nfs/dbraw/zinc/87/15/91/457871591.db2.gz LZKKJTPVTGDCCF-UHFFFAOYSA-N 1 2 327.472 3.374 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000361849589 457906717 /nfs/dbraw/zinc/90/67/17/457906717.db2.gz NKUKHDUSHMEBJZ-FZKQIMNGSA-N 1 2 333.863 3.141 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000361849589 457906719 /nfs/dbraw/zinc/90/67/19/457906719.db2.gz NKUKHDUSHMEBJZ-FZKQIMNGSA-N 1 2 333.863 3.141 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444703789 457948934 /nfs/dbraw/zinc/94/89/34/457948934.db2.gz KTEBOAPOCAPYFQ-ZDUSSCGKSA-N 1 2 335.398 3.128 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444703789 457948939 /nfs/dbraw/zinc/94/89/39/457948939.db2.gz KTEBOAPOCAPYFQ-ZDUSSCGKSA-N 1 2 335.398 3.128 20 30 EGEDLO Cc1cc[nH+]c(C)c1NC(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000367473314 457957335 /nfs/dbraw/zinc/95/73/35/457957335.db2.gz DFNWOETZLPQUFV-UHFFFAOYSA-N 1 2 335.411 3.183 20 30 EGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000411950943 458019068 /nfs/dbraw/zinc/01/90/68/458019068.db2.gz TYNVUESPYFTLKZ-UHFFFAOYSA-N 1 2 336.391 3.164 20 30 EGEDLO COc1cc(C#N)ccc1OCC[N@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000411950943 458019074 /nfs/dbraw/zinc/01/90/74/458019074.db2.gz TYNVUESPYFTLKZ-UHFFFAOYSA-N 1 2 336.391 3.164 20 30 EGEDLO C[C@@H](Nc1nc2c(cc1C#N)CCCC2(C)C)[C@@H](C)[NH+]1CCOCC1 ZINC000428100333 458079843 /nfs/dbraw/zinc/07/98/43/458079843.db2.gz GKTHDVOCYGUCBU-HUUCEWRRSA-N 1 2 342.487 3.088 20 30 EGEDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cccc(F)c2C#N)Cc2ccccc21 ZINC000428376087 458129950 /nfs/dbraw/zinc/12/99/50/458129950.db2.gz DQUIKDVYDCIHHS-GOSISDBHSA-N 1 2 338.382 3.360 20 30 EGEDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cccc(F)c2C#N)Cc2ccccc21 ZINC000428376087 458129954 /nfs/dbraw/zinc/12/99/54/458129954.db2.gz DQUIKDVYDCIHHS-GOSISDBHSA-N 1 2 338.382 3.360 20 30 EGEDLO CCCCOC1CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000362450310 458186560 /nfs/dbraw/zinc/18/65/60/458186560.db2.gz JNSBBRWJJWUILQ-CQSZACIVSA-N 1 2 347.459 3.376 20 30 EGEDLO C=CC(C)(C)CNC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000458991161 458238676 /nfs/dbraw/zinc/23/86/76/458238676.db2.gz SYAXGROPJACRAN-INIZCTEOSA-N 1 2 345.487 3.296 20 30 EGEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1c[nH+]c(C)cc1C ZINC000459135274 458273263 /nfs/dbraw/zinc/27/32/63/458273263.db2.gz YXPYYTHFNIYYPG-UHFFFAOYSA-N 1 2 334.423 3.468 20 30 EGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)NCc1c[nH+]ccc1OC ZINC000413586657 458304760 /nfs/dbraw/zinc/30/47/60/458304760.db2.gz WIZRVZPGKYOHEQ-QGZVFWFLSA-N 1 2 325.412 3.077 20 30 EGEDLO COc1cc(C[N@H+]([C@H](C)C(=O)OC(C)(C)C)C2CC2)ccc1C#N ZINC000414480489 458319726 /nfs/dbraw/zinc/31/97/26/458319726.db2.gz BBJSMBUUSYTFRX-CYBMUJFWSA-N 1 2 330.428 3.261 20 30 EGEDLO COc1cc(C[N@@H+]([C@H](C)C(=O)OC(C)(C)C)C2CC2)ccc1C#N ZINC000414480489 458319731 /nfs/dbraw/zinc/31/97/31/458319731.db2.gz BBJSMBUUSYTFRX-CYBMUJFWSA-N 1 2 330.428 3.261 20 30 EGEDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH+]1CC#Cc1ccc(F)cc1 ZINC000429354505 458320420 /nfs/dbraw/zinc/32/04/20/458320420.db2.gz OBMSGIMXBWALQQ-HZPDHXFCSA-N 1 2 330.447 3.145 20 30 EGEDLO CC[C@H](C#N)S(=O)(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000416950294 458358661 /nfs/dbraw/zinc/35/86/61/458358661.db2.gz DXYLEKICXPRTKU-OAHLLOKOSA-N 1 2 331.397 3.226 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000419630062 458389075 /nfs/dbraw/zinc/38/90/75/458389075.db2.gz CMLVVPZYQFQIHI-SJLPKXTDSA-N 1 2 349.438 3.248 20 30 EGEDLO CC(C)(C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCC1 ZINC000448576489 458401862 /nfs/dbraw/zinc/40/18/62/458401862.db2.gz AWGHNWATUFISRG-UHFFFAOYSA-N 1 2 325.456 3.029 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CCCC1 ZINC000449409932 458423448 /nfs/dbraw/zinc/42/34/48/458423448.db2.gz WQEUALNWZMAAQK-IBGZPJMESA-N 1 2 342.483 3.313 20 30 EGEDLO C=CCC[C@H]([NH2+]Cc1c[nH]nc1-c1ccccc1F)C(=O)OCC ZINC000449655121 458428851 /nfs/dbraw/zinc/42/88/51/458428851.db2.gz GGRJZFZNWACYHB-INIZCTEOSA-N 1 2 331.391 3.203 20 30 EGEDLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@]2(C#N)C[C@H]2C)CC1 ZINC000450382189 458446646 /nfs/dbraw/zinc/44/66/46/458446646.db2.gz WKCDSTQXQNRMIG-VLIAUNLRSA-N 1 2 336.439 3.312 20 30 EGEDLO N#C[C@]1(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC12CCCC2 ZINC000450541854 458451917 /nfs/dbraw/zinc/45/19/17/458451917.db2.gz RUNQGAHQUUAOIK-FQEVSTJZSA-N 1 2 340.471 3.376 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373293652 458454375 /nfs/dbraw/zinc/45/43/75/458454375.db2.gz OKLUTTUBXISYBQ-UHFFFAOYSA-N 1 2 345.790 3.153 20 30 EGEDLO CC(C)([NH2+]Cc1ccc(C#N)cc1Cl)c1nnc2n1CCCC2 ZINC000451403385 458475667 /nfs/dbraw/zinc/47/56/67/458475667.db2.gz LNZUWICGGXVEGS-UHFFFAOYSA-N 1 2 329.835 3.164 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)Cc1cccc(C)n1 ZINC000437896644 458508487 /nfs/dbraw/zinc/50/84/87/458508487.db2.gz AWHFPVLWOPLQQP-INIZCTEOSA-N 1 2 343.496 3.487 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)Cc1cccc(C)n1 ZINC000437896644 458508489 /nfs/dbraw/zinc/50/84/89/458508489.db2.gz AWHFPVLWOPLQQP-INIZCTEOSA-N 1 2 343.496 3.487 20 30 EGEDLO Cc1[nH+]c2ccc(C(=O)N[C@@]3(C#N)CCc4ccccc4C3)cc2n1C ZINC000373587605 458542101 /nfs/dbraw/zinc/54/21/01/458542101.db2.gz GXWYZAFSHBKSIJ-NRFANRHFSA-N 1 2 344.418 3.063 20 30 EGEDLO C=CCOc1ccccc1CNC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000454487599 458563475 /nfs/dbraw/zinc/56/34/75/458563475.db2.gz POEZEEDTRKWTSK-CQSZACIVSA-N 1 2 328.416 3.028 20 30 EGEDLO C=C(CC)CNC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000454622565 458569138 /nfs/dbraw/zinc/56/91/38/458569138.db2.gz SPTBJXWYEJZINA-UHFFFAOYSA-N 1 2 326.444 3.281 20 30 EGEDLO N#CCCC[C@H]([NH3+])C(=O)Nc1c(O)c(Cl)cc(Cl)c1Cl ZINC000424173266 458577356 /nfs/dbraw/zinc/57/73/56/458577356.db2.gz OFCHRDJMNGWBHT-QMMMGPOBSA-N 1 2 336.606 3.312 20 30 EGEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(F)c(Br)c2)nn1 ZINC000424291776 458606522 /nfs/dbraw/zinc/60/65/22/458606522.db2.gz FKZRKNODKBRCHU-SNVBAGLBSA-N 1 2 339.212 3.217 20 30 EGEDLO C=CCn1cc(C[NH2+][C@H]2CCCOc3c(C)cc(Cl)cc32)nn1 ZINC000424297336 458607290 /nfs/dbraw/zinc/60/72/90/458607290.db2.gz QKHJQVQGWCPNOW-INIZCTEOSA-N 1 2 332.835 3.429 20 30 EGEDLO C=CCn1cc(C[NH2+][C@@H]2CCCOc3c(Cl)cc(C)cc32)nn1 ZINC000424299025 458608341 /nfs/dbraw/zinc/60/83/41/458608341.db2.gz UPBSLYCZTBYLLD-MRXNPFEDSA-N 1 2 332.835 3.429 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000424598786 458675604 /nfs/dbraw/zinc/67/56/04/458675604.db2.gz RMFKNVJIAQKGLN-SFHVURJKSA-N 1 2 330.472 3.087 20 30 EGEDLO C=CCC(C)(C)C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000456572251 458717556 /nfs/dbraw/zinc/71/75/56/458717556.db2.gz AKOZFLFOBFNINA-UHFFFAOYSA-N 1 2 326.238 3.451 20 30 EGEDLO C=C(C)[C@H](CC(=O)Nc1ccc2c(c1)[nH+]c(C)n2[C@H](C)CO)OCC ZINC000456694752 458753403 /nfs/dbraw/zinc/75/34/03/458753403.db2.gz BTFAIYPEKKBCMH-ACJLOTCBSA-N 1 2 345.443 3.208 20 30 EGEDLO CC(C)(C)c1ccc2c(c1)C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC2 ZINC000511199738 458777442 /nfs/dbraw/zinc/77/74/42/458777442.db2.gz NNKPOXJRVDBBNW-OAQYLSRUSA-N 1 2 339.483 3.151 20 30 EGEDLO CC(C)(C)c1ccc2c(c1)C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC2 ZINC000511199738 458777451 /nfs/dbraw/zinc/77/74/51/458777451.db2.gz NNKPOXJRVDBBNW-OAQYLSRUSA-N 1 2 339.483 3.151 20 30 EGEDLO C=CC[N@@H+](C/C=C\c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000511110918 458777908 /nfs/dbraw/zinc/77/79/08/458777908.db2.gz VYEAXBHACUTWAE-QGZUEGPWSA-N 1 2 325.861 3.028 20 30 EGEDLO C=CC[N@H+](C/C=C\c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000511110918 458777913 /nfs/dbraw/zinc/77/79/13/458777913.db2.gz VYEAXBHACUTWAE-QGZUEGPWSA-N 1 2 325.861 3.028 20 30 EGEDLO C=CCC[C@H](CO)NC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000456778505 458780069 /nfs/dbraw/zinc/78/00/69/458780069.db2.gz OLWQAVPEASXBNL-MRXNPFEDSA-N 1 2 326.396 3.239 20 30 EGEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000513959812 458796954 /nfs/dbraw/zinc/79/69/54/458796954.db2.gz ULWNMTFOQDXRIH-IAGOWNOFSA-N 1 2 340.423 3.310 20 30 EGEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000513959812 458796958 /nfs/dbraw/zinc/79/69/58/458796958.db2.gz ULWNMTFOQDXRIH-IAGOWNOFSA-N 1 2 340.423 3.310 20 30 EGEDLO C=CC[C@@H](CC)NC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000440259622 458798287 /nfs/dbraw/zinc/79/82/87/458798287.db2.gz LMIKMCVXYGSFSB-CQSZACIVSA-N 1 2 339.395 3.283 20 30 EGEDLO C=CC[C@@H](CC)NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000466366654 458895872 /nfs/dbraw/zinc/89/58/72/458895872.db2.gz KFJPALWTKOJPHT-KEEQEYLASA-N 1 2 327.472 3.382 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000467749094 458984932 /nfs/dbraw/zinc/98/49/32/458984932.db2.gz YPDKOIDDFDPKOV-HXUWFJFHSA-N 1 2 342.483 3.253 20 30 EGEDLO COc1cc(C[N@H+](C)CC(=O)Nc2cccc(Cl)c2)ccc1C#N ZINC000442806676 459040403 /nfs/dbraw/zinc/04/04/03/459040403.db2.gz BXMNYOANEYYXOI-UHFFFAOYSA-N 1 2 343.814 3.291 20 30 EGEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2)ccc1C#N ZINC000442806676 459040409 /nfs/dbraw/zinc/04/04/09/459040409.db2.gz BXMNYOANEYYXOI-UHFFFAOYSA-N 1 2 343.814 3.291 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(OC2CCC2)CC1 ZINC000557260031 459060445 /nfs/dbraw/zinc/06/04/45/459060445.db2.gz UYCCMMNKXJPKJW-UHFFFAOYSA-N 1 2 347.846 3.184 20 30 EGEDLO COc1cc(CNc2[nH+]c3cccc(Cl)c3n2C)ccc1C#N ZINC000443054757 459077824 /nfs/dbraw/zinc/07/78/24/459077824.db2.gz AARBGLMBGZOIKY-UHFFFAOYSA-N 1 2 326.787 3.141 20 30 EGEDLO C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2CCC[C@](C)(C#N)C2)C1=O ZINC000590173272 459096707 /nfs/dbraw/zinc/09/67/07/459096707.db2.gz ZTJICZJRECJSDF-DKSSEZFCSA-N 1 2 329.419 3.113 20 30 EGEDLO C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2CCC[C@](C)(C#N)C2)C1=O ZINC000590173272 459096712 /nfs/dbraw/zinc/09/67/12/459096712.db2.gz ZTJICZJRECJSDF-DKSSEZFCSA-N 1 2 329.419 3.113 20 30 EGEDLO C=CC[N@@H+](CCOC)Cc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000496200433 459105933 /nfs/dbraw/zinc/10/59/33/459105933.db2.gz ZPEBDYCICJVTEG-UHFFFAOYSA-N 1 2 327.450 3.125 20 30 EGEDLO C=CC[N@H+](CCOC)Cc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000496200433 459105942 /nfs/dbraw/zinc/10/59/42/459105942.db2.gz ZPEBDYCICJVTEG-UHFFFAOYSA-N 1 2 327.450 3.125 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1NC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000521352897 459142393 /nfs/dbraw/zinc/14/23/93/459142393.db2.gz FYJPMJUELWPJNF-OIISXLGYSA-N 1 2 344.459 3.234 20 30 EGEDLO N#C[C@H]1CC[C@@H](NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000567741536 459158416 /nfs/dbraw/zinc/15/84/16/459158416.db2.gz CTPUCVXRDJGZSB-WLWJZTKJSA-N 1 2 349.438 3.103 20 30 EGEDLO CC(C)(C)OC(=O)NCC[C@H]([NH2+]Cc1cc(C#N)cs1)C(F)F ZINC000496370350 459168798 /nfs/dbraw/zinc/16/87/98/459168798.db2.gz ZHRRNIGKOVJWPH-LBPRGKRZSA-N 1 2 345.415 3.258 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H](C)c1ccc(C#N)cc1)CCC2 ZINC000533096914 459187526 /nfs/dbraw/zinc/18/75/26/459187526.db2.gz NTLXPXAZVYQERA-YOEHRIQHSA-N 1 2 337.427 3.001 20 30 EGEDLO CO[C@@H]1CC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC1(C)C ZINC000590757647 459206663 /nfs/dbraw/zinc/20/66/63/459206663.db2.gz DFKXCLHPSRBSFJ-LJQANCHMSA-N 1 2 338.455 3.299 20 30 EGEDLO CO[C@@H]1CC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC1(C)C ZINC000590757647 459206668 /nfs/dbraw/zinc/20/66/68/459206668.db2.gz DFKXCLHPSRBSFJ-LJQANCHMSA-N 1 2 338.455 3.299 20 30 EGEDLO Cc1ncc2c(n1)CC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000533322822 459220412 /nfs/dbraw/zinc/22/04/12/459220412.db2.gz KVYZCLFLGLSRPS-UHFFFAOYSA-N 1 2 347.340 3.093 20 30 EGEDLO Cc1ncc2c(n1)CC[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000533322822 459220415 /nfs/dbraw/zinc/22/04/15/459220415.db2.gz KVYZCLFLGLSRPS-UHFFFAOYSA-N 1 2 347.340 3.093 20 30 EGEDLO C=CCN(Cc1ccccc1F)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000580524888 459260516 /nfs/dbraw/zinc/26/05/16/459260516.db2.gz ZMMOECAIKZUYGR-BBRMVZONSA-N 1 2 328.391 3.426 20 30 EGEDLO C=CCOc1cccc(C[N@@H+]2CCNC(=O)[C@H]2c2cccc(C)c2)c1 ZINC000580570623 459261791 /nfs/dbraw/zinc/26/17/91/459261791.db2.gz FNQBSIXPIVEXJD-HXUWFJFHSA-N 1 2 336.435 3.233 20 30 EGEDLO C=CCOc1cccc(C[N@H+]2CCNC(=O)[C@H]2c2cccc(C)c2)c1 ZINC000580570623 459261794 /nfs/dbraw/zinc/26/17/94/459261794.db2.gz FNQBSIXPIVEXJD-HXUWFJFHSA-N 1 2 336.435 3.233 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[N@H+](CCC(C)(C)C#N)C[C@](C)(F)C1 ZINC000496635217 459267477 /nfs/dbraw/zinc/26/74/77/459267477.db2.gz BPTPYJAKTPSDEL-KRWDZBQOSA-N 1 2 327.444 3.207 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[N@@H+](CCC(C)(C)C#N)C[C@](C)(F)C1 ZINC000496635217 459267483 /nfs/dbraw/zinc/26/74/83/459267483.db2.gz BPTPYJAKTPSDEL-KRWDZBQOSA-N 1 2 327.444 3.207 20 30 EGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000524204250 459351676 /nfs/dbraw/zinc/35/16/76/459351676.db2.gz GBYRYVGIDYBQIQ-UHFFFAOYSA-N 1 2 349.434 3.409 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)C1CC1 ZINC000537854539 459367578 /nfs/dbraw/zinc/36/75/78/459367578.db2.gz FLHGBSRZSALGJA-UHFFFAOYSA-N 1 2 345.443 3.462 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)C1CC1 ZINC000537854539 459367582 /nfs/dbraw/zinc/36/75/82/459367582.db2.gz FLHGBSRZSALGJA-UHFFFAOYSA-N 1 2 345.443 3.462 20 30 EGEDLO CCN(C(=O)C[N@@H+]1CCC[C@H](CC#N)C1)c1nc2ccccc2s1 ZINC000595613278 459368700 /nfs/dbraw/zinc/36/87/00/459368700.db2.gz BVDFSRLZUHQFGU-CQSZACIVSA-N 1 2 342.468 3.275 20 30 EGEDLO CCN(C(=O)C[N@H+]1CCC[C@H](CC#N)C1)c1nc2ccccc2s1 ZINC000595613278 459368704 /nfs/dbraw/zinc/36/87/04/459368704.db2.gz BVDFSRLZUHQFGU-CQSZACIVSA-N 1 2 342.468 3.275 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000595619585 459371764 /nfs/dbraw/zinc/37/17/64/459371764.db2.gz DQXXHMPMXNMCQS-MLGOLLRUSA-N 1 2 335.810 3.210 20 30 EGEDLO N#CC[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000595619585 459371769 /nfs/dbraw/zinc/37/17/69/459371769.db2.gz DQXXHMPMXNMCQS-MLGOLLRUSA-N 1 2 335.810 3.210 20 30 EGEDLO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595620413 459372291 /nfs/dbraw/zinc/37/22/91/459372291.db2.gz NIVFAWIILGXWDI-CHWSQXEVSA-N 1 2 328.441 3.249 20 30 EGEDLO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595620413 459372297 /nfs/dbraw/zinc/37/22/97/459372297.db2.gz NIVFAWIILGXWDI-CHWSQXEVSA-N 1 2 328.441 3.249 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccc(C)cc3C2)c(C#N)c1C ZINC000595659213 459388138 /nfs/dbraw/zinc/38/81/38/459388138.db2.gz XVSDTCFEHQOPQU-CQSZACIVSA-N 1 2 337.423 3.462 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCc3ccc(C)cc3C2)c(C#N)c1C ZINC000595659213 459388145 /nfs/dbraw/zinc/38/81/45/459388145.db2.gz XVSDTCFEHQOPQU-CQSZACIVSA-N 1 2 337.423 3.462 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCO[C@H](c2ccc(CC)cc2)C1 ZINC000484574987 459419636 /nfs/dbraw/zinc/41/96/36/459419636.db2.gz YAOFHOLXGUDNRO-XLIONFOSSA-N 1 2 342.483 3.211 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](c2ccc(CC)cc2)C1 ZINC000484574987 459419641 /nfs/dbraw/zinc/41/96/41/459419641.db2.gz YAOFHOLXGUDNRO-XLIONFOSSA-N 1 2 342.483 3.211 20 30 EGEDLO C[C@@H]1CCC[C@H](OCCCCCC(=O)N[C@@](C)(C#N)C[NH+](C)C)C1 ZINC000582847891 459439207 /nfs/dbraw/zinc/43/92/07/459439207.db2.gz BORKYXQNANMVCZ-AOIWGVFYSA-N 1 2 337.508 3.102 20 30 EGEDLO Cc1ccc(C#N)nc1N1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC000596108220 459524359 /nfs/dbraw/zinc/52/43/59/459524359.db2.gz RAEWAHVCNWSHPM-CQSZACIVSA-N 1 2 342.393 3.423 20 30 EGEDLO Cc1ccccc1Nc1nc(C[N@@H+]2CC[C@](O)(CC#N)C2)cs1 ZINC000592145925 459536197 /nfs/dbraw/zinc/53/61/97/459536197.db2.gz BHPUYQDTXGSLEB-QGZVFWFLSA-N 1 2 328.441 3.046 20 30 EGEDLO Cc1ccccc1Nc1nc(C[N@H+]2CC[C@](O)(CC#N)C2)cs1 ZINC000592145925 459536204 /nfs/dbraw/zinc/53/62/04/459536204.db2.gz BHPUYQDTXGSLEB-QGZVFWFLSA-N 1 2 328.441 3.046 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2C2CCC2)c(Br)c1 ZINC000592156103 459538536 /nfs/dbraw/zinc/53/85/36/459538536.db2.gz IWXRRWUDSJLSDS-INIZCTEOSA-N 1 2 335.245 3.322 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2C2CCC2)c(Br)c1 ZINC000592156103 459538542 /nfs/dbraw/zinc/53/85/42/459538542.db2.gz IWXRRWUDSJLSDS-INIZCTEOSA-N 1 2 335.245 3.322 20 30 EGEDLO C=C(C)CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000488581931 459546511 /nfs/dbraw/zinc/54/65/11/459546511.db2.gz XLDQWHSZCNQLPJ-OAHLLOKOSA-N 1 2 339.842 3.319 20 30 EGEDLO C=C(C)CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000488581931 459546515 /nfs/dbraw/zinc/54/65/15/459546515.db2.gz XLDQWHSZCNQLPJ-OAHLLOKOSA-N 1 2 339.842 3.319 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000488570693 459546579 /nfs/dbraw/zinc/54/65/79/459546579.db2.gz VVPDDXFJGDLSKK-QGZVFWFLSA-N 1 2 338.386 3.066 20 30 EGEDLO C=CCn1cccc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000488573529 459546804 /nfs/dbraw/zinc/54/68/04/459546804.db2.gz OLQGYKCVEKPOBN-UHFFFAOYSA-N 1 2 330.457 3.369 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC2(CCCC2)O1 ZINC000592195193 459547483 /nfs/dbraw/zinc/54/74/83/459547483.db2.gz RJFSVXWVDVADFI-CQSZACIVSA-N 1 2 338.411 3.142 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC2(CCCC2)O1 ZINC000592195193 459547489 /nfs/dbraw/zinc/54/74/89/459547489.db2.gz RJFSVXWVDVADFI-CQSZACIVSA-N 1 2 338.411 3.142 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000488813234 459552070 /nfs/dbraw/zinc/55/20/70/459552070.db2.gz FISRWXKXHAVLSV-WMZOPIPTSA-N 1 2 345.393 3.128 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000488813234 459552074 /nfs/dbraw/zinc/55/20/74/459552074.db2.gz FISRWXKXHAVLSV-WMZOPIPTSA-N 1 2 345.393 3.128 20 30 EGEDLO C=CCn1c(C)cc(C(=O)CSc2nc(N)cc(CC)[nH+]2)c1C ZINC000570592137 459557550 /nfs/dbraw/zinc/55/75/50/459557550.db2.gz CWEQYZNHUWMWHJ-UHFFFAOYSA-N 1 2 330.457 3.031 20 30 EGEDLO C=C[C@H]1CCCC[N@H+]1Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000489428415 459563818 /nfs/dbraw/zinc/56/38/18/459563818.db2.gz FCMHDPIPHXXMAK-ZDUSSCGKSA-N 1 2 337.349 3.222 20 30 EGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000489428415 459563825 /nfs/dbraw/zinc/56/38/25/459563825.db2.gz FCMHDPIPHXXMAK-ZDUSSCGKSA-N 1 2 337.349 3.222 20 30 EGEDLO C=C(C)CN(C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000498127349 459569630 /nfs/dbraw/zinc/56/96/30/459569630.db2.gz SWCFOUBQJUIOIM-OAHLLOKOSA-N 1 2 332.835 3.380 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CCC(CC#N)CC1 ZINC000542895543 459607788 /nfs/dbraw/zinc/60/77/88/459607788.db2.gz YGOAYJKCWODGJH-UHFFFAOYSA-N 1 2 339.443 3.070 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1cnc(C2OCCO2)s1)c1ccc(Cl)cc1 ZINC000491351101 459619128 /nfs/dbraw/zinc/61/91/28/459619128.db2.gz ROPUIUNRFIBFMT-CQSZACIVSA-N 1 2 334.828 3.306 20 30 EGEDLO CSc1cc(Br)ccc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592521923 459623604 /nfs/dbraw/zinc/62/36/04/459623604.db2.gz DWARFBHZJWPMOM-AWEZNQCLSA-N 1 2 341.274 3.021 20 30 EGEDLO CSc1cc(Br)ccc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592521923 459623610 /nfs/dbraw/zinc/62/36/10/459623610.db2.gz DWARFBHZJWPMOM-AWEZNQCLSA-N 1 2 341.274 3.021 20 30 EGEDLO C#C[C@@H](NC(=O)NCCCCNc1cccc[nH+]1)c1ccc(F)cc1 ZINC000491460582 459628434 /nfs/dbraw/zinc/62/84/34/459628434.db2.gz AFBZSMHGBGMPEL-QGZVFWFLSA-N 1 2 340.402 3.087 20 30 EGEDLO C#C[C@@H](NC(=O)NCc1c[nH+]ccc1OC)c1ccc(Cl)cc1F ZINC000491617500 459640087 /nfs/dbraw/zinc/64/00/87/459640087.db2.gz BJGAKVJWZQKQIE-OAHLLOKOSA-N 1 2 347.777 3.056 20 30 EGEDLO C#CC[N@@H+](Cc1cccc(S(C)(=O)=O)c1)[C@H]1CCc2ccccc21 ZINC000491680894 459653748 /nfs/dbraw/zinc/65/37/48/459653748.db2.gz KIVZBIACTTXLHL-FQEVSTJZSA-N 1 2 339.460 3.213 20 30 EGEDLO C#CC[N@H+](Cc1cccc(S(C)(=O)=O)c1)[C@H]1CCc2ccccc21 ZINC000491680894 459653750 /nfs/dbraw/zinc/65/37/50/459653750.db2.gz KIVZBIACTTXLHL-FQEVSTJZSA-N 1 2 339.460 3.213 20 30 EGEDLO C=CCN(C(=O)/C=C\c1[nH+]ccn1CC)c1nc2c(s1)CCCC2 ZINC000492486000 459706928 /nfs/dbraw/zinc/70/69/28/459706928.db2.gz BAPSSTJHHFGQRK-KTKRTIGZSA-N 1 2 342.468 3.471 20 30 EGEDLO N#CC1CCC(CNC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000492770787 459720821 /nfs/dbraw/zinc/72/08/21/459720821.db2.gz RRXZGZSSLGGUQL-YFHOEESVSA-N 1 2 334.423 3.332 20 30 EGEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC3(CC3(F)F)CC2)cc1Cl ZINC000593072735 459765165 /nfs/dbraw/zinc/76/51/65/459765165.db2.gz LWJXOLROFBRORH-UHFFFAOYSA-N 1 2 339.773 3.271 20 30 EGEDLO Cc1cccc2sc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(Cl)c21 ZINC000593155582 459790556 /nfs/dbraw/zinc/79/05/56/459790556.db2.gz GRFGIPTZXYIAQD-INIZCTEOSA-N 1 2 335.860 3.437 20 30 EGEDLO Cc1csc(NC(=O)NCc2ccc[nH+]c2N2CCCC2)c1C#N ZINC000596905377 459792133 /nfs/dbraw/zinc/79/21/33/459792133.db2.gz RVWLCIMZVBGQFO-UHFFFAOYSA-N 1 2 341.440 3.245 20 30 EGEDLO N#Cc1ccc(NC(=O)NCc2ccc[nH+]c2N2CCCC2)cc1F ZINC000596911629 459793815 /nfs/dbraw/zinc/79/38/15/459793815.db2.gz UTEDPEPSUPBNNF-UHFFFAOYSA-N 1 2 339.374 3.014 20 30 EGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(F)c2ccccc12 ZINC000602425767 459932388 /nfs/dbraw/zinc/93/23/88/459932388.db2.gz VFRLSJLXFVUPKG-UHFFFAOYSA-N 1 2 341.430 3.027 20 30 EGEDLO N#CCC[N@H+](CCN1CCOCC1)Cc1ccc(F)c2ccccc12 ZINC000602425767 459932394 /nfs/dbraw/zinc/93/23/94/459932394.db2.gz VFRLSJLXFVUPKG-UHFFFAOYSA-N 1 2 341.430 3.027 20 30 EGEDLO N#CCC[N@@H+](CCN1CCOCC1)Cc1ccc(F)c2ccccc12 ZINC000602425767 459932401 /nfs/dbraw/zinc/93/24/01/459932401.db2.gz VFRLSJLXFVUPKG-UHFFFAOYSA-N 1 2 341.430 3.027 20 30 EGEDLO C[C@@H](CCC#N)C[N@@H+]1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000602482152 459959689 /nfs/dbraw/zinc/95/96/89/459959689.db2.gz MWGXFFTUMTYGAP-SWLSCSKDSA-N 1 2 339.361 3.118 20 30 EGEDLO C[C@@H](CCC#N)C[N@H+]1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000602482152 459959696 /nfs/dbraw/zinc/95/96/96/459959696.db2.gz MWGXFFTUMTYGAP-SWLSCSKDSA-N 1 2 339.361 3.118 20 30 EGEDLO Cc1cc(NC(=O)CCCCCC#N)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000588939835 460009130 /nfs/dbraw/zinc/00/91/30/460009130.db2.gz IUJKIFZFSINYFU-UHFFFAOYSA-N 1 2 326.404 3.000 20 30 EGEDLO N#Cc1c(NC(=O)C[NH2+][C@H]2CCC[C@H]2C#N)sc2c1CCCCC2 ZINC000589164254 460041858 /nfs/dbraw/zinc/04/18/58/460041858.db2.gz VROPNRILAUJCKN-WFASDCNBSA-N 1 2 342.468 3.109 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000594008995 460054630 /nfs/dbraw/zinc/05/46/30/460054630.db2.gz VJWYCOKPOKGPFL-HKUYNNGSSA-N 1 2 331.435 3.455 20 30 EGEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000594010797 460055650 /nfs/dbraw/zinc/05/56/50/460055650.db2.gz NVKWJXUSQYNTDF-RYUDHWBXSA-N 1 2 338.249 3.366 20 30 EGEDLO CC[N@H+](CC(=O)N1CCC[C@H](CC#N)C1)Cc1ccccc1Cl ZINC000597904880 460103179 /nfs/dbraw/zinc/10/31/79/460103179.db2.gz VAUAFUPLCAEFRH-OAHLLOKOSA-N 1 2 333.863 3.314 20 30 EGEDLO CC[N@@H+](CC(=O)N1CCC[C@H](CC#N)C1)Cc1ccccc1Cl ZINC000597904880 460103188 /nfs/dbraw/zinc/10/31/88/460103188.db2.gz VAUAFUPLCAEFRH-OAHLLOKOSA-N 1 2 333.863 3.314 20 30 EGEDLO N#CC[C@@H](CC(=O)NCc1ccc[nH+]c1N1CCCC1)c1ccccc1 ZINC000597942564 460121170 /nfs/dbraw/zinc/12/11/70/460121170.db2.gz BLCWTCWFEDWKLW-SFHVURJKSA-N 1 2 348.450 3.386 20 30 EGEDLO C=CCCSCCNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000597972000 460130355 /nfs/dbraw/zinc/13/03/55/460130355.db2.gz YRHZQSDBBRSQBT-UHFFFAOYSA-N 1 2 349.525 3.301 20 30 EGEDLO C[C@H](c1nnc(-c2ccc3ccccc3c2)o1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000602850360 460157684 /nfs/dbraw/zinc/15/76/84/460157684.db2.gz GBCANBDQBINJTH-JLTOFOAXSA-N 1 2 348.406 3.301 20 30 EGEDLO C[C@H](c1nnc(-c2ccc3ccccc3c2)o1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000602850360 460157693 /nfs/dbraw/zinc/15/76/93/460157693.db2.gz GBCANBDQBINJTH-JLTOFOAXSA-N 1 2 348.406 3.301 20 30 EGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H](C)CC#N)c1C#N ZINC000602870688 460166676 /nfs/dbraw/zinc/16/66/76/460166676.db2.gz VHNZDIIOGOGCLP-CYBMUJFWSA-N 1 2 341.459 3.312 20 30 EGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2C[C@H]3CCC[C@H]32)c1C#N ZINC000610585662 460190232 /nfs/dbraw/zinc/19/02/32/460190232.db2.gz ZNUCKOKBPPXZEQ-VQIMIIECSA-N 1 2 348.450 3.389 20 30 EGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2C[C@H]3CCC[C@H]32)c1C#N ZINC000610585662 460190241 /nfs/dbraw/zinc/19/02/41/460190241.db2.gz ZNUCKOKBPPXZEQ-VQIMIIECSA-N 1 2 348.450 3.389 20 30 EGEDLO C=CCCCCC[N@@H+]1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC000625663191 460233766 /nfs/dbraw/zinc/23/37/66/460233766.db2.gz RNJWVCZYWJADSF-SFHVURJKSA-N 1 2 337.485 3.210 20 30 EGEDLO C=CCCCCC[N@H+]1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC000625663191 460233771 /nfs/dbraw/zinc/23/37/71/460233771.db2.gz RNJWVCZYWJADSF-SFHVURJKSA-N 1 2 337.485 3.210 20 30 EGEDLO COCC[N@H+](CCC#N)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000610945974 460263972 /nfs/dbraw/zinc/26/39/72/460263972.db2.gz VRBOLCMEUGDUFH-UHFFFAOYSA-N 1 2 334.423 3.363 20 30 EGEDLO COCC[N@@H+](CCC#N)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000610945974 460263976 /nfs/dbraw/zinc/26/39/76/460263976.db2.gz VRBOLCMEUGDUFH-UHFFFAOYSA-N 1 2 334.423 3.363 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1n[nH]cc1Br ZINC000611393561 460354231 /nfs/dbraw/zinc/35/42/31/460354231.db2.gz XCSLMQYOLKINGX-AWEZNQCLSA-N 1 2 331.217 3.211 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+]2C[C@H](C(F)(F)F)CC[C@H]2C)c(C#N)c1C ZINC000611554250 460397809 /nfs/dbraw/zinc/39/78/09/460397809.db2.gz JJOVNGXNTJQUTA-BXKDBHETSA-N 1 2 343.349 3.369 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@H](C(F)(F)F)CC[C@H]2C)c(C#N)c1C ZINC000611554250 460397813 /nfs/dbraw/zinc/39/78/13/460397813.db2.gz JJOVNGXNTJQUTA-BXKDBHETSA-N 1 2 343.349 3.369 20 30 EGEDLO N#Cc1cc(NC(=O)CCCn2cc[nH+]c2)ccc1OC(F)(F)F ZINC000619666287 460408336 /nfs/dbraw/zinc/40/83/36/460408336.db2.gz NSGQTOQQZARBQR-UHFFFAOYSA-N 1 2 338.289 3.072 20 30 EGEDLO N#Cc1cnc(N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)c(F)c1 ZINC000601187680 460745388 /nfs/dbraw/zinc/74/53/88/460745388.db2.gz VJOKAJGKWUFEEV-UHFFFAOYSA-N 1 2 335.386 3.428 20 30 EGEDLO N#Cc1cc(F)ccc1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601241105 460763365 /nfs/dbraw/zinc/76/33/65/460763365.db2.gz XOZSZLGNCDNCHJ-UHFFFAOYSA-N 1 2 328.416 3.258 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)C1 ZINC000630927804 461419651 /nfs/dbraw/zinc/41/96/51/461419651.db2.gz QYOPHURPXWOZCB-INIZCTEOSA-N 1 2 328.456 3.257 20 30 EGEDLO C=CCCn1cc(C[N@@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)nn1 ZINC000653661582 461792546 /nfs/dbraw/zinc/79/25/46/461792546.db2.gz ZMQHQVIMBLCQLA-GJYPPUQNSA-N 1 2 330.476 3.024 20 30 EGEDLO C=CCCn1cc(C[N@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)nn1 ZINC000653661582 461792555 /nfs/dbraw/zinc/79/25/55/461792555.db2.gz ZMQHQVIMBLCQLA-GJYPPUQNSA-N 1 2 330.476 3.024 20 30 EGEDLO Cc1ccc([C@H](CNc2ccc(C#N)c(C)n2)[NH+]2CCOCC2)cc1 ZINC000488084663 468070644 /nfs/dbraw/zinc/07/06/44/468070644.db2.gz RPFULGYADGDSLA-IBGZPJMESA-N 1 2 336.439 3.056 20 30 EGEDLO C[C@@H](c1nnc(SCCCC#N)n1-c1ccc(F)cc1)[NH+](C)C ZINC000044865580 526187193 /nfs/dbraw/zinc/18/71/93/526187193.db2.gz HLDAHGIILBYJEQ-LBPRGKRZSA-N 1 2 333.436 3.425 20 30 EGEDLO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3Cc4ccccc43)c[nH+]2)CCO1 ZINC000329449078 547498427 /nfs/dbraw/zinc/49/84/27/547498427.db2.gz DFDQWJPGWRBSAL-RDTXWAMCSA-N 1 2 337.423 3.103 20 30 EGEDLO CN(CC12CC3CC(CC(C3)C1)C2)C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329708222 547505847 /nfs/dbraw/zinc/50/58/47/547505847.db2.gz KYVDQSDVFIAWMN-OCABNYQQSA-N 1 2 342.487 3.329 20 30 EGEDLO CN(CC12CC3CC(CC(C3)C1)C2)C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329708222 547505850 /nfs/dbraw/zinc/50/58/50/547505850.db2.gz KYVDQSDVFIAWMN-OCABNYQQSA-N 1 2 342.487 3.329 20 30 EGEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000370872701 547793022 /nfs/dbraw/zinc/79/30/22/547793022.db2.gz LCEXEBFVHAGQKS-GFCCVEGCSA-N 1 2 335.860 3.375 20 30 EGEDLO FC(F)(F)Oc1ccc(C#CCN2CCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000374854852 547813099 /nfs/dbraw/zinc/81/30/99/547813099.db2.gz GPOPDVVRKFNNBC-OAHLLOKOSA-N 1 2 335.329 3.497 20 30 EGEDLO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000374854852 547813103 /nfs/dbraw/zinc/81/31/03/547813103.db2.gz GPOPDVVRKFNNBC-OAHLLOKOSA-N 1 2 335.329 3.497 20 30 EGEDLO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000374854852 547813105 /nfs/dbraw/zinc/81/31/05/547813105.db2.gz GPOPDVVRKFNNBC-OAHLLOKOSA-N 1 2 335.329 3.497 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000682367530 550090274 /nfs/dbraw/zinc/09/02/74/550090274.db2.gz QIFULCYEJHVIAF-HXUWFJFHSA-N 1 2 330.472 3.250 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000726072601 574540140 /nfs/dbraw/zinc/54/01/40/574540140.db2.gz ZAIPRDOAWNGILU-LBPRGKRZSA-N 1 2 333.270 3.274 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000726072601 574540143 /nfs/dbraw/zinc/54/01/43/574540143.db2.gz ZAIPRDOAWNGILU-LBPRGKRZSA-N 1 2 333.270 3.274 20 30 EGEDLO C#Cc1cccc(NC(=S)NCCn2c(C)[nH+]c3ccccc32)c1 ZINC000726446392 574553946 /nfs/dbraw/zinc/55/39/46/574553946.db2.gz AYPCWYUKJYJTPB-UHFFFAOYSA-N 1 2 334.448 3.313 20 30 EGEDLO C=CCn1nnn(C[N@@H+](CCC)[C@H]2CCc3ccccc32)c1=S ZINC000726589775 574562850 /nfs/dbraw/zinc/56/28/50/574562850.db2.gz XNEAGLARLIDXGX-INIZCTEOSA-N 1 2 329.473 3.352 20 30 EGEDLO C=CCn1nnn(C[N@H+](CCC)[C@H]2CCc3ccccc32)c1=S ZINC000726589775 574562851 /nfs/dbraw/zinc/56/28/51/574562851.db2.gz XNEAGLARLIDXGX-INIZCTEOSA-N 1 2 329.473 3.352 20 30 EGEDLO CN(CCO)c1ccc(C=[NH+]Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000727650405 574680948 /nfs/dbraw/zinc/68/09/48/574680948.db2.gz VOEKMHUFMLIKEU-UHFFFAOYSA-N 1 2 348.790 3.123 20 30 EGEDLO C=CCn1c(-c2ccco2)nn(C[N@H+](CC)C[C@@H]2CCOC2)c1=S ZINC000738083977 574682626 /nfs/dbraw/zinc/68/26/26/574682626.db2.gz YLIQHJRQCGKBGQ-AWEZNQCLSA-N 1 2 348.472 3.176 20 30 EGEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+](CC)C[C@@H]2CCOC2)c1=S ZINC000738083977 574682629 /nfs/dbraw/zinc/68/26/29/574682629.db2.gz YLIQHJRQCGKBGQ-AWEZNQCLSA-N 1 2 348.472 3.176 20 30 EGEDLO C#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)nc1 ZINC000728857241 574777877 /nfs/dbraw/zinc/77/78/77/574777877.db2.gz LKHYRRGJGNTGKF-UHFFFAOYSA-N 1 2 347.462 3.144 20 30 EGEDLO Cc1cc(C(N)=[NH+]OCc2ccn(-c3cccc(F)c3)n2)ccc1F ZINC000729674047 574879394 /nfs/dbraw/zinc/87/93/94/574879394.db2.gz HJSHSUSUMPGMAQ-UHFFFAOYSA-N 1 2 342.349 3.296 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000730104592 574920155 /nfs/dbraw/zinc/92/01/55/574920155.db2.gz UUJOVCYQPHJYIJ-INIZCTEOSA-N 1 2 325.437 3.155 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000730104592 574920156 /nfs/dbraw/zinc/92/01/56/574920156.db2.gz UUJOVCYQPHJYIJ-INIZCTEOSA-N 1 2 325.437 3.155 20 30 EGEDLO C#CCOc1cccc(NC(=O)NCCn2c(C)[nH+]c3ccccc32)c1 ZINC000731111138 575055066 /nfs/dbraw/zinc/05/50/66/575055066.db2.gz KENQXMLURKXHJH-UHFFFAOYSA-N 1 2 348.406 3.178 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(Sc2ccccc2)CCCC1 ZINC000731837698 575211000 /nfs/dbraw/zinc/21/10/00/575211000.db2.gz FRAGUBOPMMJCAX-SFHVURJKSA-N 1 2 342.508 3.305 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(Sc2ccccc2)CCCC1 ZINC000731837698 575211002 /nfs/dbraw/zinc/21/10/02/575211002.db2.gz FRAGUBOPMMJCAX-SFHVURJKSA-N 1 2 342.508 3.305 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2cccc(CC)c2)nc1 ZINC000732057951 575235399 /nfs/dbraw/zinc/23/53/99/575235399.db2.gz NGOXZMXMIPWYNB-IBGZPJMESA-N 1 2 349.434 3.472 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2cccc(CC)c2)nc1 ZINC000732057951 575235401 /nfs/dbraw/zinc/23/54/01/575235401.db2.gz NGOXZMXMIPWYNB-IBGZPJMESA-N 1 2 349.434 3.472 20 30 EGEDLO C=CC[N@H+](CC1CCCCC1)CN1c2cc(OC)ccc2C(=O)C1=O ZINC000732670989 575281871 /nfs/dbraw/zinc/28/18/71/575281871.db2.gz NIUFYODMBODGLH-UHFFFAOYSA-N 1 2 342.439 3.250 20 30 EGEDLO C=CC[N@@H+](CC1CCCCC1)CN1c2cc(OC)ccc2C(=O)C1=O ZINC000732670989 575281872 /nfs/dbraw/zinc/28/18/72/575281872.db2.gz NIUFYODMBODGLH-UHFFFAOYSA-N 1 2 342.439 3.250 20 30 EGEDLO C=CC[C@H](NC(=O)NCc1[nH+]cc(C)c(OC)c1C)c1ccncc1 ZINC000734663512 575534048 /nfs/dbraw/zinc/53/40/48/575534048.db2.gz ORTVAONELGQWDZ-INIZCTEOSA-N 1 2 340.427 3.219 20 30 EGEDLO C=CC[N@@H+](CCc1ccccc1)CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000735070943 575595825 /nfs/dbraw/zinc/59/58/25/575595825.db2.gz VACRWHUZAKDHMW-FQEVSTJZSA-N 1 2 328.456 3.096 20 30 EGEDLO C=CC[N@H+](CCc1ccccc1)CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000735070943 575595829 /nfs/dbraw/zinc/59/58/29/575595829.db2.gz VACRWHUZAKDHMW-FQEVSTJZSA-N 1 2 328.456 3.096 20 30 EGEDLO CCCCCCCn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000735233339 575620802 /nfs/dbraw/zinc/62/08/02/575620802.db2.gz RYCLLDQGMSXPHM-GOSISDBHSA-N 1 2 343.475 3.217 20 30 EGEDLO CCCCCCCn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000735233339 575620804 /nfs/dbraw/zinc/62/08/04/575620804.db2.gz RYCLLDQGMSXPHM-GOSISDBHSA-N 1 2 343.475 3.217 20 30 EGEDLO COc1ccc(CCNN=C(C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000737439755 576229333 /nfs/dbraw/zinc/22/93/33/576229333.db2.gz GLVRPSANLODMSA-UHFFFAOYSA-N 1 2 334.423 3.437 20 30 EGEDLO Cc1nc(Cl)cc(N[NH+]=Cc2ccccc2N2CCO[C@H](C)C2)n1 ZINC000741766001 576718449 /nfs/dbraw/zinc/71/84/49/576718449.db2.gz HJQOMXRRDXFCPK-GFCCVEGCSA-N 1 2 345.834 3.110 20 30 EGEDLO COc1cc(OC)c(C[NH2+]Cc2cc(C#N)ccc2F)c(OC)c1 ZINC000742381880 576776430 /nfs/dbraw/zinc/77/64/30/576776430.db2.gz PZVCEMYCUORDOT-UHFFFAOYSA-N 1 2 330.359 3.013 20 30 EGEDLO C#CC[N@@H+](CC#CC)CC(=O)N(C)C(c1ccccc1)c1ccccc1 ZINC000743854929 576817114 /nfs/dbraw/zinc/81/71/14/576817114.db2.gz SVXVVXSCMNTDNU-UHFFFAOYSA-N 1 2 344.458 3.193 20 30 EGEDLO C#CC[N@H+](CC#CC)CC(=O)N(C)C(c1ccccc1)c1ccccc1 ZINC000743854929 576817115 /nfs/dbraw/zinc/81/71/15/576817115.db2.gz SVXVVXSCMNTDNU-UHFFFAOYSA-N 1 2 344.458 3.193 20 30 EGEDLO C=CC[N@@H+](Cc1nc(C)c(C)s1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819745474 606719476 /nfs/dbraw/zinc/71/94/76/606719476.db2.gz FNTDUPSKBCOBMZ-UHFFFAOYSA-N 1 2 340.456 3.128 20 30 EGEDLO C=CC[N@H+](Cc1nc(C)c(C)s1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819745474 606719478 /nfs/dbraw/zinc/71/94/78/606719478.db2.gz FNTDUPSKBCOBMZ-UHFFFAOYSA-N 1 2 340.456 3.128 20 30 EGEDLO CC(C)c1[nH+]c(C=NNc2ccc(-c3nn[nH]n3)cc2)c2ccccn21 ZINC000824358631 607886043 /nfs/dbraw/zinc/88/60/43/607886043.db2.gz NWFZROOWFUQBNY-UHFFFAOYSA-N 1 2 346.398 3.084 20 30 EGEDLO C[C@H](C#N)OCC[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000794804117 1309598995 /nfs/dbraw/zinc/59/89/95/1309598995.db2.gz TWFXHPHFOQIHHB-WOSRLPQWSA-N 1 2 342.361 3.396 20 30 EGEDLO C[C@H](C#N)OCC[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000794804117 1309599002 /nfs/dbraw/zinc/59/90/02/1309599002.db2.gz TWFXHPHFOQIHHB-WOSRLPQWSA-N 1 2 342.361 3.396 20 30 EGEDLO COc1cccc(/C=N/Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1O ZINC000063427632 1292008188 /nfs/dbraw/zinc/00/81/88/1292008188.db2.gz DIAHMVYTGLHRGB-SRZZPIQSSA-N 1 2 325.343 3.345 20 30 EGEDLO N#Cc1ccccc1/C=C/C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067523418 1292162202 /nfs/dbraw/zinc/16/22/02/1292162202.db2.gz MDNXSLDXJBERHY-SOFGYWHQSA-N 1 2 346.365 3.213 20 30 EGEDLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000831872994 1292931682 /nfs/dbraw/zinc/93/16/82/1292931682.db2.gz HYCXWTYDEKRTCD-KRWDZBQOSA-N 1 2 329.419 3.115 20 30 EGEDLO C[C@H](C#N)Oc1ccc(C[NH+]2CCN([C@@H](C)C(F)(F)F)CC2)cc1 ZINC000093882917 1292935256 /nfs/dbraw/zinc/93/52/56/1292935256.db2.gz SFLXAWVDOWSDEN-KGLIPLIRSA-N 1 2 341.377 3.046 20 30 EGEDLO C#CCCN(CC(F)(F)F)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000832276369 1292981188 /nfs/dbraw/zinc/98/11/88/1292981188.db2.gz UIFOZGLVZFBLSV-OAHLLOKOSA-N 1 2 349.356 3.346 20 30 EGEDLO C#Cc1cccc(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000836224334 1293462724 /nfs/dbraw/zinc/46/27/24/1293462724.db2.gz KACBPLPONJXKJY-UHFFFAOYSA-N 1 2 348.450 3.053 20 30 EGEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1cccc(N2CCOC2=O)c1 ZINC000133182190 1293738922 /nfs/dbraw/zinc/73/89/22/1293738922.db2.gz SHNGXVLVTIEHOP-BQYQJAHWSA-N 1 2 333.347 3.187 20 30 EGEDLO NC(Cc1ccccc1)=[NH+]OCc1nc(-c2ccc(F)c(F)c2)no1 ZINC000134054755 1293761188 /nfs/dbraw/zinc/76/11/88/1293761188.db2.gz CFRWDCUKWVWYES-UHFFFAOYSA-N 1 2 344.321 3.046 20 30 EGEDLO COc1ccc(C(N)=[NH+]OCc2ncc(-c3cccs3)o2)cc1 ZINC000152234908 1293959299 /nfs/dbraw/zinc/95/92/99/1293959299.db2.gz AFTUSRRGSCINAY-UHFFFAOYSA-N 1 2 329.381 3.249 20 30 EGEDLO C#CCCCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000176655969 1294621231 /nfs/dbraw/zinc/62/12/31/1294621231.db2.gz UQNXFAWOLTZYPV-INIZCTEOSA-N 1 2 349.272 3.116 20 30 EGEDLO CC(=[NH+]Nc1cccc([N+](=O)[O-])c1)c1ccc(N2CCOCC2)cc1 ZINC000254385494 1296470725 /nfs/dbraw/zinc/47/07/25/1296470725.db2.gz MJXCRMLUVCEWIX-UHFFFAOYSA-N 1 2 340.383 3.268 20 30 EGEDLO COc1cc(C[NH2+]CCC#N)cc(Br)c1OC(F)F ZINC000359035202 1297486125 /nfs/dbraw/zinc/48/61/25/1297486125.db2.gz GBERWQPLGISTJD-UHFFFAOYSA-N 1 2 335.148 3.062 20 30 EGEDLO C=CCn1nnn(C[N@H+](C2CC2)[C@H]2CCCc3ccccc32)c1=S ZINC000725771103 1298359298 /nfs/dbraw/zinc/35/92/98/1298359298.db2.gz HIKSKTHCJCOIRF-KRWDZBQOSA-N 1 2 341.484 3.495 20 30 EGEDLO C=CCn1nnn(C[N@@H+](C2CC2)[C@H]2CCCc3ccccc32)c1=S ZINC000725771103 1298359314 /nfs/dbraw/zinc/35/93/14/1298359314.db2.gz HIKSKTHCJCOIRF-KRWDZBQOSA-N 1 2 341.484 3.495 20 30 EGEDLO N#Cc1cccc(C[NH+]2CCC(O)(c3ccccc3Cl)CC2)n1 ZINC000877478525 1299329237 /nfs/dbraw/zinc/32/92/37/1299329237.db2.gz NLFFIDCIIUCNMM-UHFFFAOYSA-N 1 2 327.815 3.090 20 30 EGEDLO CC(=O)[C@](C#N)(CC[N@H+]1C[C@@H](C)OC2(CCC2)C1)c1ccccc1 ZINC000878770859 1300183281 /nfs/dbraw/zinc/18/32/81/1300183281.db2.gz WJQGWCYNSFLFDC-OXQOHEQNSA-N 1 2 326.440 3.070 20 30 EGEDLO CC(=O)[C@](C#N)(CC[N@@H+]1C[C@@H](C)OC2(CCC2)C1)c1ccccc1 ZINC000878770859 1300183289 /nfs/dbraw/zinc/18/32/89/1300183289.db2.gz WJQGWCYNSFLFDC-OXQOHEQNSA-N 1 2 326.440 3.070 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cccc(C#N)c1F ZINC000879226247 1300437171 /nfs/dbraw/zinc/43/71/71/1300437171.db2.gz LVYUMLZWOJWJDJ-WFASDCNBSA-N 1 2 333.407 3.185 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cccc(C#N)c1F ZINC000879226247 1300437175 /nfs/dbraw/zinc/43/71/75/1300437175.db2.gz LVYUMLZWOJWJDJ-WFASDCNBSA-N 1 2 333.407 3.185 20 30 EGEDLO C[C@@H]1CCCC[C@@H]1NC(=S)N[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000758368563 1300863783 /nfs/dbraw/zinc/86/37/83/1300863783.db2.gz YAXAFFAGIMFUSV-ZBFHGGJFSA-N 1 2 345.516 3.059 20 30 EGEDLO CCC(=[NH+]NC(=S)Nc1cccnc1)c1ccc(N(C)C)cc1 ZINC000759187344 1301036343 /nfs/dbraw/zinc/03/63/43/1301036343.db2.gz MRHADYZNEFLVAH-UHFFFAOYSA-N 1 2 327.457 3.248 20 30 EGEDLO N#Cc1ccc([C@H](O)C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000763409971 1301897733 /nfs/dbraw/zinc/89/77/33/1301897733.db2.gz IJLVMCZDTUFAAO-HXUWFJFHSA-N 1 2 332.407 3.017 20 30 EGEDLO N#Cc1ccc([C@H](O)C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000763409971 1301897737 /nfs/dbraw/zinc/89/77/37/1301897737.db2.gz IJLVMCZDTUFAAO-HXUWFJFHSA-N 1 2 332.407 3.017 20 30 EGEDLO C#CCNC(=O)C[NH+]1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000763420815 1301900861 /nfs/dbraw/zinc/90/08/61/1301900861.db2.gz ZBROIUFLVHVPSG-UHFFFAOYSA-N 1 2 337.250 3.222 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2C[C@H](C)C[C@@H]2C)c1=S ZINC000765029402 1302186870 /nfs/dbraw/zinc/18/68/70/1302186870.db2.gz MMYITGCQMLFTMP-KGLIPLIRSA-N 1 2 329.473 3.350 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2C[C@H](C)C[C@@H]2C)c1=S ZINC000765029402 1302186871 /nfs/dbraw/zinc/18/68/71/1302186871.db2.gz MMYITGCQMLFTMP-KGLIPLIRSA-N 1 2 329.473 3.350 20 30 EGEDLO C#CCOc1ccccc1CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000766407556 1302446383 /nfs/dbraw/zinc/44/63/83/1302446383.db2.gz RGRLHFVCAJFWDM-UHFFFAOYSA-N 1 2 335.411 3.205 20 30 EGEDLO COC(=O)c1coc(C(=O)/C=C/c2c[nH+]c3ccc(Cl)cn23)c1 ZINC000766492389 1302463073 /nfs/dbraw/zinc/46/30/73/1302463073.db2.gz XEIAHELFALISJO-ONEGZZNKSA-N 1 2 330.727 3.263 20 30 EGEDLO C[C@@H]1CC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C[C@H]1C ZINC000766984822 1302558201 /nfs/dbraw/zinc/55/82/01/1302558201.db2.gz MTZYHFVTYOSSKP-MCIONIFRSA-N 1 2 327.453 3.450 20 30 EGEDLO C[C@@H]1CC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C[C@H]1C ZINC000766984822 1302558209 /nfs/dbraw/zinc/55/82/09/1302558209.db2.gz MTZYHFVTYOSSKP-MCIONIFRSA-N 1 2 327.453 3.450 20 30 EGEDLO N#Cc1ccc(C2=CC[N@H+](Cn3c4ccccc4oc3=O)CC2)cc1 ZINC000767986198 1302798066 /nfs/dbraw/zinc/79/80/66/1302798066.db2.gz DYBDBHSMOJHZDL-UHFFFAOYSA-N 1 2 331.375 3.213 20 30 EGEDLO N#Cc1ccc(C2=CC[N@@H+](Cn3c4ccccc4oc3=O)CC2)cc1 ZINC000767986198 1302798073 /nfs/dbraw/zinc/79/80/73/1302798073.db2.gz DYBDBHSMOJHZDL-UHFFFAOYSA-N 1 2 331.375 3.213 20 30 EGEDLO CC(C)C[C@H]1CC(=O)N(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000767986278 1302798613 /nfs/dbraw/zinc/79/86/13/1302798613.db2.gz HYFYLMUPFQMHNQ-SFHVURJKSA-N 1 2 337.467 3.499 20 30 EGEDLO CC(C)C[C@H]1CC(=O)N(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000767986278 1302798623 /nfs/dbraw/zinc/79/86/23/1302798623.db2.gz HYFYLMUPFQMHNQ-SFHVURJKSA-N 1 2 337.467 3.499 20 30 EGEDLO N#Cc1ccc(C2=CC[N@H+](CN3C(=O)[C@@H]4CCCCC[C@@H]43)CC2)cc1 ZINC000767987344 1302798646 /nfs/dbraw/zinc/79/86/46/1302798646.db2.gz PYOGLMWWMIZGDG-UXHICEINSA-N 1 2 335.451 3.396 20 30 EGEDLO N#Cc1ccc(C2=CC[N@@H+](CN3C(=O)[C@@H]4CCCCC[C@@H]43)CC2)cc1 ZINC000767987344 1302798657 /nfs/dbraw/zinc/79/86/57/1302798657.db2.gz PYOGLMWWMIZGDG-UXHICEINSA-N 1 2 335.451 3.396 20 30 EGEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC000769499340 1303127879 /nfs/dbraw/zinc/12/78/79/1303127879.db2.gz SFSBEUGXDMZWGJ-RHSMWYFYSA-N 1 2 330.428 3.284 20 30 EGEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC000769499340 1303127889 /nfs/dbraw/zinc/12/78/89/1303127889.db2.gz SFSBEUGXDMZWGJ-RHSMWYFYSA-N 1 2 330.428 3.284 20 30 EGEDLO C=CCCCCNC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000770508737 1303278931 /nfs/dbraw/zinc/27/89/31/1303278931.db2.gz OBJDXKFJCOEYLR-UHFFFAOYSA-N 1 2 344.503 3.377 20 30 EGEDLO C[N@H+](CC(F)F)C1CCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000771669726 1303429718 /nfs/dbraw/zinc/42/97/18/1303429718.db2.gz XIKPIZBVEGMVDO-UHFFFAOYSA-N 1 2 330.382 3.272 20 30 EGEDLO C[N@@H+](CC(F)F)C1CCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000771669726 1303429723 /nfs/dbraw/zinc/42/97/23/1303429723.db2.gz XIKPIZBVEGMVDO-UHFFFAOYSA-N 1 2 330.382 3.272 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1csc(CCc2ccccc2)n1)[C@H]1CCCO1 ZINC000775791505 1304038512 /nfs/dbraw/zinc/03/85/12/1304038512.db2.gz VOJDBWMNHJDXCT-QZTJIDSGSA-N 1 2 326.465 3.199 20 30 EGEDLO C#C[C@H]([NH2+]Cc1nc(-c2c(F)cccc2F)cs1)[C@H]1CCCO1 ZINC000775795351 1304039707 /nfs/dbraw/zinc/03/97/07/1304039707.db2.gz WLLYEGIATJSOKK-DZGCQCFKSA-N 1 2 334.391 3.359 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1nc(-c2c(F)cccc2F)cs1)[C@@H]1CCCO1 ZINC000775795353 1304039773 /nfs/dbraw/zinc/03/97/73/1304039773.db2.gz WLLYEGIATJSOKK-HIFRSBDPSA-N 1 2 334.391 3.359 20 30 EGEDLO C#C[C@H]([NH2+][C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1)[C@H]1CCCO1 ZINC000775801992 1304041072 /nfs/dbraw/zinc/04/10/72/1304041072.db2.gz XVKGJMPATPJXDF-PWRODBHTSA-N 1 2 348.446 3.445 20 30 EGEDLO C#CCOc1ccccc1NC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000776088711 1304093880 /nfs/dbraw/zinc/09/38/80/1304093880.db2.gz DFDJFIHMYZCUHN-UHFFFAOYSA-N 1 2 348.406 3.019 20 30 EGEDLO C=CCn1nnn(C[N@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)c1=S ZINC000777969739 1304375943 /nfs/dbraw/zinc/37/59/43/1304375943.db2.gz KUVBFQCFQBFNTN-CQSZACIVSA-N 1 2 347.463 3.361 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)c1=S ZINC000777969739 1304375949 /nfs/dbraw/zinc/37/59/49/1304375949.db2.gz KUVBFQCFQBFNTN-CQSZACIVSA-N 1 2 347.463 3.361 20 30 EGEDLO Cn1cc([C@H]([NH2+]Cc2cc(C#N)ccc2F)c2cccc(F)c2)cn1 ZINC000779121365 1304531057 /nfs/dbraw/zinc/53/10/57/1304531057.db2.gz UVARWVCWAJQCSY-LJQANCHMSA-N 1 2 338.361 3.449 20 30 EGEDLO CCc1ccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)s1 ZINC000779340355 1304558689 /nfs/dbraw/zinc/55/86/89/1304558689.db2.gz IRLSIBPYMICSLQ-WFASDCNBSA-N 1 2 335.473 3.159 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)CN1CC[C@](C)(c2ccccc2)C1=O ZINC000780448576 1304694736 /nfs/dbraw/zinc/69/47/36/1304694736.db2.gz QEEICVIGCDBCAG-OAQYLSRUSA-N 1 2 338.451 3.458 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)CN1CC[C@](C)(c2ccccc2)C1=O ZINC000780448576 1304694738 /nfs/dbraw/zinc/69/47/38/1304694738.db2.gz QEEICVIGCDBCAG-OAQYLSRUSA-N 1 2 338.451 3.458 20 30 EGEDLO Cc1cn(C[NH+]2CCC(CC#N)CC2)c(=O)n1-c1ccc(Cl)cc1 ZINC000781573246 1304843922 /nfs/dbraw/zinc/84/39/22/1304843922.db2.gz YVVLNXLGEOLWTD-UHFFFAOYSA-N 1 2 344.846 3.184 20 30 EGEDLO Cc1ccc(NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)c(N(C)C)[nH+]1 ZINC000785877533 1305461026 /nfs/dbraw/zinc/46/10/26/1305461026.db2.gz UVKHMNKYWNDAAV-MRXNPFEDSA-N 1 2 335.411 3.137 20 30 EGEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2ccc(-n3cccn3)cc2)s1 ZINC000794699471 1309577773 /nfs/dbraw/zinc/57/77/73/1309577773.db2.gz MQNRODUJXMLLHC-HJWRWDBZSA-N 1 2 338.436 3.287 20 30 EGEDLO COc1cc(C)cc2c1OC/C(=C\c1ncc(C[NH+](C)C)s1)C2=O ZINC000794698094 1309578312 /nfs/dbraw/zinc/57/83/12/1309578312.db2.gz HGZRWIVHUYZFFJ-KPKJPENVSA-N 1 2 344.436 3.180 20 30 EGEDLO COc1cc(C)cc2c1OC/C(=C/c1ncc(C[NH+](C)C)s1)C2=O ZINC000794698093 1309578352 /nfs/dbraw/zinc/57/83/52/1309578352.db2.gz HGZRWIVHUYZFFJ-GHXNOFRVSA-N 1 2 344.436 3.180 20 30 EGEDLO Cc1cc(C)c2c(c1)OC/C(=C\c1ncc(C[NH+](C)C)s1)C2=O ZINC000794702607 1309578507 /nfs/dbraw/zinc/57/85/07/1309578507.db2.gz ZZFMAYLZFYYAIB-NTUHNPAUSA-N 1 2 328.437 3.480 20 30 EGEDLO CCc1cccc2c1OC/C(=C/c1ncc(C[NH+](C)C)s1)C2=O ZINC000794728485 1309584798 /nfs/dbraw/zinc/58/47/98/1309584798.db2.gz RGYIDUHCKHDPQA-JYRVWZFOSA-N 1 2 328.437 3.426 20 30 EGEDLO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]Nc1ccc2n[nH]cc2c1 ZINC000794927069 1309623346 /nfs/dbraw/zinc/62/33/46/1309623346.db2.gz IKPMLNTVEGCRQM-UHFFFAOYSA-N 1 2 331.383 3.085 20 30 EGEDLO CC(C)(C)OC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC000896501460 1309888779 /nfs/dbraw/zinc/88/87/79/1309888779.db2.gz RYBGUHNFVICNBU-KRWDZBQOSA-N 1 2 329.444 3.447 20 30 EGEDLO CC(C)(C)OC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC000896501460 1309888787 /nfs/dbraw/zinc/88/87/87/1309888787.db2.gz RYBGUHNFVICNBU-KRWDZBQOSA-N 1 2 329.444 3.447 20 30 EGEDLO C#C[C@@H](NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2)C(C)C ZINC000799043843 1310472834 /nfs/dbraw/zinc/47/28/34/1310472834.db2.gz FXSMDRVAFCGEDV-QGZVFWFLSA-N 1 2 335.451 3.000 20 30 EGEDLO C#C[C@@H](NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2)C(C)C ZINC000799043843 1310472839 /nfs/dbraw/zinc/47/28/39/1310472839.db2.gz FXSMDRVAFCGEDV-QGZVFWFLSA-N 1 2 335.451 3.000 20 30 EGEDLO N#Cc1ccc(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)o1 ZINC000907816143 1318264440 /nfs/dbraw/zinc/26/44/40/1318264440.db2.gz QYIBULQSDUOSFJ-CYBMUJFWSA-N 1 2 338.411 3.209 20 30 EGEDLO N#Cc1ccc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)o1 ZINC000907816143 1318264447 /nfs/dbraw/zinc/26/44/47/1318264447.db2.gz QYIBULQSDUOSFJ-CYBMUJFWSA-N 1 2 338.411 3.209 20 30 EGEDLO C#C[C@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)c1ccc(Cl)cc1 ZINC000812352525 1318374074 /nfs/dbraw/zinc/37/40/74/1318374074.db2.gz QHJHQPGVQIUMAS-KRWDZBQOSA-N 1 2 337.810 3.329 20 30 EGEDLO CC1(C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]Cc2ccccc2C#N)CC1 ZINC000960272605 1318438646 /nfs/dbraw/zinc/43/86/46/1318438646.db2.gz ZGEFBKPYGHLXNO-WOJBJXKFSA-N 1 2 345.446 3.230 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCN1C(=O)C1CCCC1 ZINC000960356450 1318479036 /nfs/dbraw/zinc/47/90/36/1318479036.db2.gz LZISETUNHRGUMA-LJQANCHMSA-N 1 2 343.446 3.310 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCN1C(=O)C1CCCC1 ZINC000960356450 1318479040 /nfs/dbraw/zinc/47/90/40/1318479040.db2.gz LZISETUNHRGUMA-LJQANCHMSA-N 1 2 343.446 3.310 20 30 EGEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC000960503844 1318614167 /nfs/dbraw/zinc/61/41/67/1318614167.db2.gz VGTXKQLUSAKUTO-ZIAGYGMSSA-N 1 2 348.516 3.023 20 30 EGEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC000960503844 1318614179 /nfs/dbraw/zinc/61/41/79/1318614179.db2.gz VGTXKQLUSAKUTO-ZIAGYGMSSA-N 1 2 348.516 3.023 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCN1C(=O)[C@@H]1CC1(C)C ZINC000960564984 1318695712 /nfs/dbraw/zinc/69/57/12/1318695712.db2.gz RVNYEUMRQQMALN-MSOLQXFVSA-N 1 2 343.446 3.166 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCN1C(=O)[C@@H]1CC1(C)C ZINC000960564984 1318695721 /nfs/dbraw/zinc/69/57/21/1318695721.db2.gz RVNYEUMRQQMALN-MSOLQXFVSA-N 1 2 343.446 3.166 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)[C@H]1CC1(C)C ZINC000960564988 1318695764 /nfs/dbraw/zinc/69/57/64/1318695764.db2.gz RVNYEUMRQQMALN-ZWKOTPCHSA-N 1 2 343.446 3.166 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)[C@H]1CC1(C)C ZINC000960564988 1318695775 /nfs/dbraw/zinc/69/57/75/1318695775.db2.gz RVNYEUMRQQMALN-ZWKOTPCHSA-N 1 2 343.446 3.166 20 30 EGEDLO CC(C)=C(F)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000960566484 1318699802 /nfs/dbraw/zinc/69/98/02/1318699802.db2.gz XMMYSLOSYGHNNS-QGZVFWFLSA-N 1 2 347.409 3.384 20 30 EGEDLO CC(C)=C(F)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000960566484 1318699811 /nfs/dbraw/zinc/69/98/11/1318699811.db2.gz XMMYSLOSYGHNNS-QGZVFWFLSA-N 1 2 347.409 3.384 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ncc(CC)o1 ZINC000960787923 1318889013 /nfs/dbraw/zinc/88/90/13/1318889013.db2.gz PDGUCDWRIRDBTE-HNNXBMFYSA-N 1 2 333.476 3.262 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ncc(CC)o1 ZINC000960787923 1318889021 /nfs/dbraw/zinc/88/90/21/1318889021.db2.gz PDGUCDWRIRDBTE-HNNXBMFYSA-N 1 2 333.476 3.262 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccncc1Cl ZINC000960792278 1318897423 /nfs/dbraw/zinc/89/74/23/1318897423.db2.gz UUCAJDGPGCSDPP-OAHLLOKOSA-N 1 2 335.879 3.370 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccncc1Cl ZINC000960792278 1318897433 /nfs/dbraw/zinc/89/74/33/1318897433.db2.gz UUCAJDGPGCSDPP-OAHLLOKOSA-N 1 2 335.879 3.370 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)[C@H](C)c2nc(C)no2)CC1 ZINC000960834718 1318964736 /nfs/dbraw/zinc/96/47/36/1318964736.db2.gz VZVQQCBWOBROEN-PBHICJAKSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)[C@H](C)c2nc(C)no2)CC1 ZINC000960834718 1318964741 /nfs/dbraw/zinc/96/47/41/1318964741.db2.gz VZVQQCBWOBROEN-PBHICJAKSA-N 1 2 346.475 3.108 20 30 EGEDLO C[C@@H]1C[NH+](Cc2ccccc2N=Cc2cccc(O)c2O)C[C@@H](C)O1 ZINC000915981714 1319579643 /nfs/dbraw/zinc/57/96/43/1319579643.db2.gz WAGAQLAKGZDCMT-HUUCEWRRSA-N 1 2 340.423 3.458 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](CO)Cc1ccc(F)cc1 ZINC000820625031 1319923580 /nfs/dbraw/zinc/92/35/80/1319923580.db2.gz XXUOAFCUDNHKBG-QGZVFWFLSA-N 1 2 342.414 3.276 20 30 EGEDLO C[C@@H](c1ncccn1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000930464567 1328863623 /nfs/dbraw/zinc/86/36/23/1328863623.db2.gz VPPSRQYWMNDCMI-ZDUSSCGKSA-N 1 2 326.375 3.092 20 30 EGEDLO CC[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1cccc(C#N)c1O ZINC000822658682 1320109590 /nfs/dbraw/zinc/10/95/90/1320109590.db2.gz OWYBMYZEAFIISD-INIZCTEOSA-N 1 2 342.468 3.430 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@]2(C)CC2(Cl)Cl)c1 ZINC000827434696 1320452973 /nfs/dbraw/zinc/45/29/73/1320452973.db2.gz IQSBPXQDDDMHBN-HNNXBMFYSA-N 1 2 325.239 3.122 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@]2(C)CC2(Cl)Cl)c1 ZINC000827434696 1320452977 /nfs/dbraw/zinc/45/29/77/1320452977.db2.gz IQSBPXQDDDMHBN-HNNXBMFYSA-N 1 2 325.239 3.122 20 30 EGEDLO C#CCCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000858971395 1328901827 /nfs/dbraw/zinc/90/18/27/1328901827.db2.gz ARTPHDPXEWMJFW-OAHLLOKOSA-N 1 2 338.810 3.193 20 30 EGEDLO C#CCCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000858971395 1328901835 /nfs/dbraw/zinc/90/18/35/1328901835.db2.gz ARTPHDPXEWMJFW-OAHLLOKOSA-N 1 2 338.810 3.193 20 30 EGEDLO N#C[C@@H]1CCC[C@H](OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000839057763 1320859957 /nfs/dbraw/zinc/85/99/57/1320859957.db2.gz NJGHGVQCZNTXRM-OCCSQVGLSA-N 1 2 340.339 3.020 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000839677540 1320957947 /nfs/dbraw/zinc/95/79/47/1320957947.db2.gz VGIRNLCTLFJZAA-OAHLLOKOSA-N 1 2 345.281 3.370 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000839677540 1320957949 /nfs/dbraw/zinc/95/79/49/1320957949.db2.gz VGIRNLCTLFJZAA-OAHLLOKOSA-N 1 2 345.281 3.370 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(-c2cncc(F)c2)ccc1C ZINC000843880423 1321554874 /nfs/dbraw/zinc/55/48/74/1321554874.db2.gz OIYCQYVKCQNVJK-IBGZPJMESA-N 1 2 337.398 3.232 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(-c2cncc(F)c2)ccc1C ZINC000843880423 1321554879 /nfs/dbraw/zinc/55/48/79/1321554879.db2.gz OIYCQYVKCQNVJK-IBGZPJMESA-N 1 2 337.398 3.232 20 30 EGEDLO Cc1cccc([C@H]2C(=O)NCC[N@H+]2CCCCC2(C#N)CCC2)c1 ZINC000930896967 1329000321 /nfs/dbraw/zinc/00/03/21/1329000321.db2.gz LCNCJGUKFSJRIH-SFHVURJKSA-N 1 2 325.456 3.332 20 30 EGEDLO Cc1cccc([C@H]2C(=O)NCC[N@@H+]2CCCCC2(C#N)CCC2)c1 ZINC000930896967 1329000324 /nfs/dbraw/zinc/00/03/24/1329000324.db2.gz LCNCJGUKFSJRIH-SFHVURJKSA-N 1 2 325.456 3.332 20 30 EGEDLO N#Cc1ccccc1/C=C/C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921151908 1322265494 /nfs/dbraw/zinc/26/54/94/1322265494.db2.gz CHJXCXLTFMXBPM-JXMROGBWSA-N 1 2 328.375 3.074 20 30 EGEDLO C[C@H](CC(C)(C)C#N)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000851205672 1322353338 /nfs/dbraw/zinc/35/33/38/1322353338.db2.gz KLRGHZRSFPUWNV-GFCCVEGCSA-N 1 2 342.355 3.266 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000923164841 1322703330 /nfs/dbraw/zinc/70/33/30/1322703330.db2.gz FQYYNCDYDKNYGA-ROUUACIJSA-N 1 2 326.396 3.205 20 30 EGEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-c3csc(C)n3)s2)C1 ZINC000923599031 1322779600 /nfs/dbraw/zinc/77/96/00/1322779600.db2.gz QLJRSRHGHNVHHI-CYBMUJFWSA-N 1 2 345.493 3.007 20 30 EGEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-c3csc(C)n3)s2)C1 ZINC000923599031 1322779604 /nfs/dbraw/zinc/77/96/04/1322779604.db2.gz QLJRSRHGHNVHHI-CYBMUJFWSA-N 1 2 345.493 3.007 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851400591 1323033399 /nfs/dbraw/zinc/03/33/99/1323033399.db2.gz IYWAWPUHXCXIEZ-LJQANCHMSA-N 1 2 332.444 3.070 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccnn1[C@H](C)CC ZINC001024469252 1323425753 /nfs/dbraw/zinc/42/57/53/1323425753.db2.gz WKNXAGDSDLIFLG-CABCVRRESA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccnn1[C@H](C)CC ZINC001024469252 1323425754 /nfs/dbraw/zinc/42/57/54/1323425754.db2.gz WKNXAGDSDLIFLG-CABCVRRESA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(F)ccc1OC ZINC001024586284 1323521376 /nfs/dbraw/zinc/52/13/76/1323521376.db2.gz NADRIXOEFDJOJC-AWEZNQCLSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(F)ccc1OC ZINC001024586284 1323521382 /nfs/dbraw/zinc/52/13/82/1323521382.db2.gz NADRIXOEFDJOJC-AWEZNQCLSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001024597832 1323529368 /nfs/dbraw/zinc/52/93/68/1323529368.db2.gz YDGCKVRERZKINV-UONOGXRCSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001024597832 1323529375 /nfs/dbraw/zinc/52/93/75/1323529375.db2.gz YDGCKVRERZKINV-UONOGXRCSA-N 1 2 343.309 3.302 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001024666787 1323581796 /nfs/dbraw/zinc/58/17/96/1323581796.db2.gz VWFSOALHBSVSHS-KBAYOESNSA-N 1 2 343.446 3.214 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001024666787 1323581800 /nfs/dbraw/zinc/58/18/00/1323581800.db2.gz VWFSOALHBSVSHS-KBAYOESNSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)C1Cc2ccccc2C1 ZINC001024674906 1323588407 /nfs/dbraw/zinc/58/84/07/1323588407.db2.gz DFQZIFFDTSMHOM-SFHVURJKSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)C1Cc2ccccc2C1 ZINC001024674906 1323588412 /nfs/dbraw/zinc/58/84/12/1323588412.db2.gz DFQZIFFDTSMHOM-SFHVURJKSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)N(C)CC2 ZINC001024781867 1323685433 /nfs/dbraw/zinc/68/54/33/1323685433.db2.gz CYACWGGPMFNSET-KRWDZBQOSA-N 1 2 347.890 3.016 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)N(C)CC2 ZINC001024781867 1323685438 /nfs/dbraw/zinc/68/54/38/1323685438.db2.gz CYACWGGPMFNSET-KRWDZBQOSA-N 1 2 347.890 3.016 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(-c2ccoc2)n[nH]1 ZINC001024798199 1323702073 /nfs/dbraw/zinc/70/20/73/1323702073.db2.gz VKCHIRXFLDUWSV-CQSZACIVSA-N 1 2 348.834 3.007 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(-c2ccoc2)n[nH]1 ZINC001024798199 1323702077 /nfs/dbraw/zinc/70/20/77/1323702077.db2.gz VKCHIRXFLDUWSV-CQSZACIVSA-N 1 2 348.834 3.007 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nc(C2CC2)no1 ZINC001025069286 1323869410 /nfs/dbraw/zinc/86/94/10/1323869410.db2.gz GZXAYISOSZDFTO-DNVCBOLYSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C)o2)C1 ZINC001027286234 1325415358 /nfs/dbraw/zinc/41/53/58/1325415358.db2.gz PSIXBWSVHBBXPD-CYBMUJFWSA-N 1 2 341.249 3.033 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C)o2)C1 ZINC001027286234 1325415364 /nfs/dbraw/zinc/41/53/64/1325415364.db2.gz PSIXBWSVHBBXPD-CYBMUJFWSA-N 1 2 341.249 3.033 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC001027289963 1325422652 /nfs/dbraw/zinc/42/26/52/1325422652.db2.gz MLCXIFBJZDFMCI-HUUCEWRRSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC001027289963 1325422655 /nfs/dbraw/zinc/42/26/55/1325422655.db2.gz MLCXIFBJZDFMCI-HUUCEWRRSA-N 1 2 341.293 3.174 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@H]2C)o1 ZINC000964900993 1327758711 /nfs/dbraw/zinc/75/87/11/1327758711.db2.gz GEJXPQYJNJXALP-RDTXWAMCSA-N 1 2 337.423 3.100 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)CC[C@H]2C)o1 ZINC000964900993 1327758715 /nfs/dbraw/zinc/75/87/15/1327758715.db2.gz GEJXPQYJNJXALP-RDTXWAMCSA-N 1 2 337.423 3.100 20 30 EGEDLO Cc1occc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1C ZINC000964930873 1327776388 /nfs/dbraw/zinc/77/63/88/1327776388.db2.gz CBXPQRHGBYQEHF-LIRRHRJNSA-N 1 2 337.423 3.100 20 30 EGEDLO Cc1occc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2C#N)CC[C@@H]1C ZINC000964930873 1327776395 /nfs/dbraw/zinc/77/63/95/1327776395.db2.gz CBXPQRHGBYQEHF-LIRRHRJNSA-N 1 2 337.423 3.100 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)[C@@H](C)c2nc(CC)no2)C1 ZINC001027519284 1327789816 /nfs/dbraw/zinc/78/98/16/1327789816.db2.gz JCFOFPQTICLHJL-GJZGRUSLSA-N 1 2 348.491 3.218 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([N@H+](C)[C@@H](C)c2nc(CC)no2)C1 ZINC001027519284 1327789829 /nfs/dbraw/zinc/78/98/29/1327789829.db2.gz JCFOFPQTICLHJL-GJZGRUSLSA-N 1 2 348.491 3.218 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)[C@H](C)c2ncccn2)C1 ZINC001027519694 1327791248 /nfs/dbraw/zinc/79/12/48/1327791248.db2.gz SNODGOBYLGGKDN-HZPDHXFCSA-N 1 2 330.476 3.063 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)[C@H](C)c2ncccn2)C1 ZINC001027519694 1327791254 /nfs/dbraw/zinc/79/12/54/1327791254.db2.gz SNODGOBYLGGKDN-HZPDHXFCSA-N 1 2 330.476 3.063 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@H+](C)Cc3cscn3)C2)CC1 ZINC001027559252 1327871400 /nfs/dbraw/zinc/87/14/00/1327871400.db2.gz RYAWCDDSMVXERP-KRWDZBQOSA-N 1 2 333.501 3.312 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@@H+](C)Cc3cscn3)C2)CC1 ZINC001027559252 1327871402 /nfs/dbraw/zinc/87/14/02/1327871402.db2.gz RYAWCDDSMVXERP-KRWDZBQOSA-N 1 2 333.501 3.312 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)C2(CC)CC2)C1 ZINC001027562915 1327881522 /nfs/dbraw/zinc/88/15/22/1327881522.db2.gz YVSDRNPEGDDEOG-ZDUSSCGKSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)C2(CC)CC2)C1 ZINC001027562915 1327881524 /nfs/dbraw/zinc/88/15/24/1327881524.db2.gz YVSDRNPEGDDEOG-ZDUSSCGKSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc3scnc32)C1 ZINC000966071888 1328169037 /nfs/dbraw/zinc/16/90/37/1328169037.db2.gz BOTQOKDDQBJSCT-BXUZGUMPSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc3scnc32)C1 ZINC000966071888 1328169039 /nfs/dbraw/zinc/16/90/39/1328169039.db2.gz BOTQOKDDQBJSCT-BXUZGUMPSA-N 1 2 349.887 3.489 20 30 EGEDLO Cc1cc(C)c(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2C#N)o1 ZINC001027806499 1328249889 /nfs/dbraw/zinc/24/98/89/1328249889.db2.gz IJUPJTIUOAJMLG-SFHVURJKSA-N 1 2 337.423 3.163 20 30 EGEDLO Cc1cc(C)c(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2C#N)o1 ZINC001027806499 1328249902 /nfs/dbraw/zinc/24/99/02/1328249902.db2.gz IJUPJTIUOAJMLG-SFHVURJKSA-N 1 2 337.423 3.163 20 30 EGEDLO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1Cl)C1=CCCC1 ZINC001027823416 1328280271 /nfs/dbraw/zinc/28/02/71/1328280271.db2.gz QGWQNAWJDBVTDE-SFHVURJKSA-N 1 2 342.870 3.382 20 30 EGEDLO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl)C1=CCCC1 ZINC001027823416 1328280279 /nfs/dbraw/zinc/28/02/79/1328280279.db2.gz QGWQNAWJDBVTDE-SFHVURJKSA-N 1 2 342.870 3.382 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)c2sccc2F)s1 ZINC001027861903 1328321774 /nfs/dbraw/zinc/32/17/74/1328321774.db2.gz GSAWDVCDYFCVDF-NSHDSACASA-N 1 2 349.456 3.215 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)c2sccc2F)s1 ZINC001027861903 1328321783 /nfs/dbraw/zinc/32/17/83/1328321783.db2.gz GSAWDVCDYFCVDF-NSHDSACASA-N 1 2 349.456 3.215 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(F)cc2ccncc21 ZINC001027883906 1328351995 /nfs/dbraw/zinc/35/19/95/1328351995.db2.gz DURWQFIYXKRTRO-HNNXBMFYSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(F)cc2ccncc21 ZINC001027883906 1328352000 /nfs/dbraw/zinc/35/20/00/1328352000.db2.gz DURWQFIYXKRTRO-HNNXBMFYSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ocnc1-c1ccccc1 ZINC001027926356 1328404931 /nfs/dbraw/zinc/40/49/31/1328404931.db2.gz QSTRNGRABKJVRB-HNNXBMFYSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ocnc1-c1ccccc1 ZINC001027926356 1328404938 /nfs/dbraw/zinc/40/49/38/1328404938.db2.gz QSTRNGRABKJVRB-HNNXBMFYSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC001027979094 1328453198 /nfs/dbraw/zinc/45/31/98/1328453198.db2.gz UYSSJDRNFSGJEV-QZTJIDSGSA-N 1 2 348.874 3.137 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC001027979094 1328453202 /nfs/dbraw/zinc/45/32/02/1328453202.db2.gz UYSSJDRNFSGJEV-QZTJIDSGSA-N 1 2 348.874 3.137 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(C)c(F)cc2F)C1 ZINC000966903041 1328463921 /nfs/dbraw/zinc/46/39/21/1328463921.db2.gz ACQARXZBGQUIPW-QLJPJBMISA-N 1 2 342.817 3.466 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(C)c(F)cc2F)C1 ZINC000966903041 1328463924 /nfs/dbraw/zinc/46/39/24/1328463924.db2.gz ACQARXZBGQUIPW-QLJPJBMISA-N 1 2 342.817 3.466 20 30 EGEDLO CC(C)(C)c1ncc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)s1 ZINC000862421583 1329484930 /nfs/dbraw/zinc/48/49/30/1329484930.db2.gz ZTIIBOZTEGVFKQ-UHFFFAOYSA-N 1 2 341.484 3.029 20 30 EGEDLO CCn1c[nH+]c2c1CCN(Cc1ccc(Br)cc1C#N)C2 ZINC000933255599 1329875108 /nfs/dbraw/zinc/87/51/08/1329875108.db2.gz MRZSTHRAJDAQQW-UHFFFAOYSA-N 1 2 345.244 3.095 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C2=CCCC2)C(C)(C)C1 ZINC000940672412 1331151632 /nfs/dbraw/zinc/15/16/32/1331151632.db2.gz JGDVVVHSNFMXED-CQSZACIVSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C2=CCCC2)C(C)(C)C1 ZINC000940672412 1331151637 /nfs/dbraw/zinc/15/16/37/1331151637.db2.gz JGDVVVHSNFMXED-CQSZACIVSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cscn3)C[C@@H]2C)CC1 ZINC000942600592 1331998114 /nfs/dbraw/zinc/99/81/14/1331998114.db2.gz RTQWHRLLHNZZDW-WMLDXEAASA-N 1 2 333.501 3.216 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cscn3)C[C@@H]2C)CC1 ZINC000942600592 1331998117 /nfs/dbraw/zinc/99/81/17/1331998117.db2.gz RTQWHRLLHNZZDW-WMLDXEAASA-N 1 2 333.501 3.216 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H](CCNc3cc[nH+]c(C)n3)C2)C1 ZINC001063296231 1351801739 /nfs/dbraw/zinc/80/17/39/1351801739.db2.gz NXFHJLHAXKYEBL-MRXNPFEDSA-N 1 2 328.460 3.182 20 30 EGEDLO Cc1cc(NCCC2CCN(C(=O)[C@@H](C)C#N)CC2)nc(C(C)C)[nH+]1 ZINC001063315099 1351810982 /nfs/dbraw/zinc/81/09/82/1351810982.db2.gz RGPLVDOWYBBLPQ-AWEZNQCLSA-N 1 2 343.475 3.109 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2occc2C)C[C@H]1C ZINC000947057803 1332995297 /nfs/dbraw/zinc/99/52/97/1332995297.db2.gz USYDOSQMVNQDIX-CHWSQXEVSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2occc2C)C[C@H]1C ZINC000947057803 1332995299 /nfs/dbraw/zinc/99/52/99/1332995299.db2.gz USYDOSQMVNQDIX-CHWSQXEVSA-N 1 2 341.249 3.079 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC000948920132 1333734388 /nfs/dbraw/zinc/73/43/88/1333734388.db2.gz XJOIIJJPLDVION-FPOVZHCZSA-N 1 2 336.479 3.472 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC000948920132 1333734389 /nfs/dbraw/zinc/73/43/89/1333734389.db2.gz XJOIIJJPLDVION-FPOVZHCZSA-N 1 2 336.479 3.472 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1scnc1CC ZINC000948923187 1333735118 /nfs/dbraw/zinc/73/51/18/1333735118.db2.gz BQOSTLJLUKEERS-QGZVFWFLSA-N 1 2 341.480 3.221 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1scnc1CC ZINC000948923187 1333735121 /nfs/dbraw/zinc/73/51/21/1333735121.db2.gz BQOSTLJLUKEERS-QGZVFWFLSA-N 1 2 341.480 3.221 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC000948928051 1333736940 /nfs/dbraw/zinc/73/69/40/1333736940.db2.gz GRTAVVOSGAYDBC-CTNGQTDRSA-N 1 2 336.479 3.472 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC000948928051 1333736943 /nfs/dbraw/zinc/73/69/43/1333736943.db2.gz GRTAVVOSGAYDBC-CTNGQTDRSA-N 1 2 336.479 3.472 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C)sc1C ZINC000948932034 1333738057 /nfs/dbraw/zinc/73/80/57/1333738057.db2.gz FAOUPWGNKFOLMA-LJQANCHMSA-N 1 2 338.476 3.327 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C)sc1C ZINC000948932034 1333738058 /nfs/dbraw/zinc/73/80/58/1333738058.db2.gz FAOUPWGNKFOLMA-LJQANCHMSA-N 1 2 338.476 3.327 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1occc1C(C)C ZINC000948951082 1333744857 /nfs/dbraw/zinc/74/48/57/1333744857.db2.gz SQLQVZVQBYHHTP-LJQANCHMSA-N 1 2 336.435 3.365 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1occc1C(C)C ZINC000948951082 1333744859 /nfs/dbraw/zinc/74/48/59/1333744859.db2.gz SQLQVZVQBYHHTP-LJQANCHMSA-N 1 2 336.435 3.365 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(C)cc1C ZINC000948981767 1333757237 /nfs/dbraw/zinc/75/72/37/1333757237.db2.gz FAHOYBFOZNNRRK-NRFANRHFSA-N 1 2 332.447 3.266 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(C)cc1C ZINC000948981767 1333757239 /nfs/dbraw/zinc/75/72/39/1333757239.db2.gz FAHOYBFOZNNRRK-NRFANRHFSA-N 1 2 332.447 3.266 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](CCOc2ccc(C)cc2)CC1 ZINC000949635650 1333887022 /nfs/dbraw/zinc/88/70/22/1333887022.db2.gz IOVFERYJIZSFGF-UHFFFAOYSA-N 1 2 330.472 3.120 20 30 EGEDLO Cc1ccccc1CCC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000950711126 1334120319 /nfs/dbraw/zinc/12/03/19/1334120319.db2.gz LPPWDDYHRZHUIT-UHFFFAOYSA-N 1 2 347.462 3.144 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2cccc(CC)c2)C1 ZINC000967007991 1335640861 /nfs/dbraw/zinc/64/08/61/1335640861.db2.gz OXQSAOHLTMVENV-KDOFPFPSSA-N 1 2 334.891 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2cccc(CC)c2)C1 ZINC000967007991 1335640865 /nfs/dbraw/zinc/64/08/65/1335640865.db2.gz OXQSAOHLTMVENV-KDOFPFPSSA-N 1 2 334.891 3.371 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(OC)cc2F)C1 ZINC000967255529 1335679317 /nfs/dbraw/zinc/67/93/17/1335679317.db2.gz JSLMJPPUWMFNAR-BZNIZROVSA-N 1 2 340.826 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(OC)cc2F)C1 ZINC000967255529 1335679318 /nfs/dbraw/zinc/67/93/18/1335679318.db2.gz JSLMJPPUWMFNAR-BZNIZROVSA-N 1 2 340.826 3.027 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(C)ccc2OC)C1 ZINC000967279616 1335687312 /nfs/dbraw/zinc/68/73/12/1335687312.db2.gz OKFCJKCWHOPFRI-BBRMVZONSA-N 1 2 336.863 3.196 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(C)ccc2OC)C1 ZINC000967279616 1335687316 /nfs/dbraw/zinc/68/73/16/1335687316.db2.gz OKFCJKCWHOPFRI-BBRMVZONSA-N 1 2 336.863 3.196 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C)nc2C2CC2)C1 ZINC000967496964 1335759281 /nfs/dbraw/zinc/75/92/81/1335759281.db2.gz NDMISDKJBIJILD-SJCJKPOMSA-N 1 2 347.890 3.460 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C)nc2C2CC2)C1 ZINC000967496964 1335759285 /nfs/dbraw/zinc/75/92/85/1335759285.db2.gz NDMISDKJBIJILD-SJCJKPOMSA-N 1 2 347.890 3.460 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2C[N@@H+](Cc3nc(C)oc3C)CC[C@@H]2C)CC1 ZINC000968190658 1335868612 /nfs/dbraw/zinc/86/86/12/1335868612.db2.gz LCXILNAXXUEJQM-KSSFIOAISA-N 1 2 345.487 3.364 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2C[N@H+](Cc3nc(C)oc3C)CC[C@@H]2C)CC1 ZINC000968190658 1335868616 /nfs/dbraw/zinc/86/86/16/1335868616.db2.gz LCXILNAXXUEJQM-KSSFIOAISA-N 1 2 345.487 3.364 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC000968332892 1335891991 /nfs/dbraw/zinc/89/19/91/1335891991.db2.gz YYTLGPANESWPCD-LRDDRELGSA-N 1 2 335.879 3.475 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC000968332892 1335891994 /nfs/dbraw/zinc/89/19/94/1335891994.db2.gz YYTLGPANESWPCD-LRDDRELGSA-N 1 2 335.879 3.475 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC000968346188 1335895984 /nfs/dbraw/zinc/89/59/84/1335895984.db2.gz SLMZZDNFWBKHCO-SJCJKPOMSA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC000968346188 1335895985 /nfs/dbraw/zinc/89/59/85/1335895985.db2.gz SLMZZDNFWBKHCO-SJCJKPOMSA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnc3ccccc3c2)C1 ZINC000968361270 1335903248 /nfs/dbraw/zinc/90/32/48/1335903248.db2.gz UIWGBFCHABXLSM-UGSOOPFHSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnc3ccccc3c2)C1 ZINC000968361270 1335903252 /nfs/dbraw/zinc/90/32/52/1335903252.db2.gz UIWGBFCHABXLSM-UGSOOPFHSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC000968364861 1335904474 /nfs/dbraw/zinc/90/44/74/1335904474.db2.gz KSIRFZZFEGCPOK-PXAZEXFGSA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC000968364861 1335904476 /nfs/dbraw/zinc/90/44/76/1335904476.db2.gz KSIRFZZFEGCPOK-PXAZEXFGSA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3scnc3c2)C1 ZINC000968493907 1335940799 /nfs/dbraw/zinc/94/07/99/1335940799.db2.gz ZJRPANYXQYXVLN-IAQYHMDHSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3scnc3c2)C1 ZINC000968493907 1335940803 /nfs/dbraw/zinc/94/08/03/1335940803.db2.gz ZJRPANYXQYXVLN-IAQYHMDHSA-N 1 2 349.887 3.489 20 30 EGEDLO Cc1cc(NCC[C@@H]2CCCCN2C(=O)[C@@H](C)C#N)nc(C2CC2)[nH+]1 ZINC001063823643 1352028822 /nfs/dbraw/zinc/02/88/22/1352028822.db2.gz UQLUUPPURFQKPO-BBRMVZONSA-N 1 2 341.459 3.005 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC000968554930 1335960876 /nfs/dbraw/zinc/96/08/76/1335960876.db2.gz YSFMKMLVKHEKKD-GUYCJALGSA-N 1 2 337.895 3.406 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC000968554930 1335960883 /nfs/dbraw/zinc/96/08/83/1335960883.db2.gz YSFMKMLVKHEKKD-GUYCJALGSA-N 1 2 337.895 3.406 20 30 EGEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)C(C)(C)C ZINC000968574870 1335966832 /nfs/dbraw/zinc/96/68/32/1335966832.db2.gz OLCLUJDJFJBRMA-DYVFJYSZSA-N 1 2 331.435 3.070 20 30 EGEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)C(C)(C)C ZINC000968574870 1335966836 /nfs/dbraw/zinc/96/68/36/1335966836.db2.gz OLCLUJDJFJBRMA-DYVFJYSZSA-N 1 2 331.435 3.070 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC12CC2 ZINC000969044462 1336126087 /nfs/dbraw/zinc/12/60/87/1336126087.db2.gz QPZDWNAMMMNDJW-KGLIPLIRSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC12CC2 ZINC000969044462 1336126089 /nfs/dbraw/zinc/12/60/89/1336126089.db2.gz QPZDWNAMMMNDJW-KGLIPLIRSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2coc3c2cccc3OC)C1 ZINC000969671941 1336235543 /nfs/dbraw/zinc/23/55/43/1336235543.db2.gz AOFPDTFMNZJHLO-LBPRGKRZSA-N 1 2 348.830 3.244 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cccc3cccnc32)C1 ZINC000970072474 1336276401 /nfs/dbraw/zinc/27/64/01/1336276401.db2.gz VTSYKSMCGXBPPO-CYBMUJFWSA-N 1 2 329.831 3.037 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2coc3ccc(OC)cc32)C1 ZINC000970127378 1336282759 /nfs/dbraw/zinc/28/27/59/1336282759.db2.gz OAVJEFSSVBAAJE-LBPRGKRZSA-N 1 2 348.830 3.244 20 30 EGEDLO C=C1CCC(C(=O)N[C@H](C)C2C[NH+](Cc3ccc(Cl)nc3)C2)CC1 ZINC000970366274 1336298524 /nfs/dbraw/zinc/29/85/24/1336298524.db2.gz KGGLMEGPXQNUCP-CQSZACIVSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2scnc2C(C)C)C1 ZINC000970543804 1336319872 /nfs/dbraw/zinc/31/98/72/1336319872.db2.gz BAXYPIUVZZAVIC-NSHDSACASA-N 1 2 327.881 3.069 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)c3cccs3)C2)ccc1F ZINC001006627914 1336542501 /nfs/dbraw/zinc/54/25/01/1336542501.db2.gz YSPSHOWEQCTBJI-HNNXBMFYSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1cc(C[N@H+]2CCC[C@H](NC(=O)c3cccs3)C2)ccc1F ZINC001006627914 1336542502 /nfs/dbraw/zinc/54/25/02/1336542502.db2.gz YSPSHOWEQCTBJI-HNNXBMFYSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C[C@@H]3C=CCC3)C2)c(F)c1 ZINC001006704783 1336559773 /nfs/dbraw/zinc/55/97/73/1336559773.db2.gz MJWDYOTUQGKBTN-CRAIPNDOSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C[C@@H]3C=CCC3)C2)c(F)c1 ZINC001006704783 1336559777 /nfs/dbraw/zinc/55/97/77/1336559777.db2.gz MJWDYOTUQGKBTN-CRAIPNDOSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cn(C)c3ccc(F)cc23)C1 ZINC001007514760 1336662790 /nfs/dbraw/zinc/66/27/90/1336662790.db2.gz NGHOLZJFCSXUOQ-CQSZACIVSA-N 1 2 349.837 3.264 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)c3ccc(F)cc23)C1 ZINC001007514760 1336662793 /nfs/dbraw/zinc/66/27/93/1336662793.db2.gz NGHOLZJFCSXUOQ-CQSZACIVSA-N 1 2 349.837 3.264 20 30 EGEDLO CCc1ccc(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)o1 ZINC001007667476 1336686406 /nfs/dbraw/zinc/68/64/06/1336686406.db2.gz UADHGIGPXPSKOI-SFHVURJKSA-N 1 2 336.435 3.088 20 30 EGEDLO CCc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)o1 ZINC001007667476 1336686411 /nfs/dbraw/zinc/68/64/11/1336686411.db2.gz UADHGIGPXPSKOI-SFHVURJKSA-N 1 2 336.435 3.088 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cc3cc(OC)ccc3[nH]2)C1 ZINC001008365444 1336835433 /nfs/dbraw/zinc/83/54/33/1336835433.db2.gz MYQKLHPRAXWXJX-CQSZACIVSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cc3cc(OC)ccc3[nH]2)C1 ZINC001008365444 1336835436 /nfs/dbraw/zinc/83/54/36/1336835436.db2.gz MYQKLHPRAXWXJX-CQSZACIVSA-N 1 2 347.846 3.123 20 30 EGEDLO CC1(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)CC=CC1 ZINC001008428867 1336850709 /nfs/dbraw/zinc/85/07/09/1336850709.db2.gz NAMHOQMOTWZLNN-LJQANCHMSA-N 1 2 340.442 3.114 20 30 EGEDLO CC1(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)CC=CC1 ZINC001008428867 1336850711 /nfs/dbraw/zinc/85/07/11/1336850711.db2.gz NAMHOQMOTWZLNN-LJQANCHMSA-N 1 2 340.442 3.114 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3ccncc3Cl)C2)C1 ZINC001008437644 1336853382 /nfs/dbraw/zinc/85/33/82/1336853382.db2.gz PLJBSYPYXWHDTQ-OAHLLOKOSA-N 1 2 333.863 3.172 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccncc3Cl)C2)C1 ZINC001008437644 1336853383 /nfs/dbraw/zinc/85/33/83/1336853383.db2.gz PLJBSYPYXWHDTQ-OAHLLOKOSA-N 1 2 333.863 3.172 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1 ZINC001008812587 1336929794 /nfs/dbraw/zinc/92/97/94/1336929794.db2.gz ABPJYEYCMOCVCV-HYVNUMGLSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1 ZINC001008812587 1336929795 /nfs/dbraw/zinc/92/97/95/1336929795.db2.gz ABPJYEYCMOCVCV-HYVNUMGLSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc(OC(C)C)cc2)C1 ZINC001009418624 1337021005 /nfs/dbraw/zinc/02/10/05/1337021005.db2.gz OWXPQCPQVRAGEF-INIZCTEOSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(OC(C)C)cc2)C1 ZINC001009418624 1337021006 /nfs/dbraw/zinc/02/10/06/1337021006.db2.gz OWXPQCPQVRAGEF-INIZCTEOSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cccc3oc(C)nc32)C1 ZINC001009671724 1337057707 /nfs/dbraw/zinc/05/77/07/1337057707.db2.gz JGMPSJQJZWHDIC-ZDUSSCGKSA-N 1 2 333.819 3.083 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cccc3oc(C)nc32)C1 ZINC001009671724 1337057711 /nfs/dbraw/zinc/05/77/11/1337057711.db2.gz JGMPSJQJZWHDIC-ZDUSSCGKSA-N 1 2 333.819 3.083 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc(N(C)C(C)C)cc2)C1 ZINC001009724425 1337065397 /nfs/dbraw/zinc/06/53/97/1337065397.db2.gz FQLGTRXJEKJWKO-KRWDZBQOSA-N 1 2 349.906 3.478 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(N(C)C(C)C)cc2)C1 ZINC001009724425 1337065401 /nfs/dbraw/zinc/06/54/01/1337065401.db2.gz FQLGTRXJEKJWKO-KRWDZBQOSA-N 1 2 349.906 3.478 20 30 EGEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)c1cccs1 ZINC001010009939 1337139743 /nfs/dbraw/zinc/13/97/43/1337139743.db2.gz GBVLPWPHPIMZFF-INIZCTEOSA-N 1 2 344.867 3.257 20 30 EGEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)c1cccs1 ZINC001010009939 1337139746 /nfs/dbraw/zinc/13/97/46/1337139746.db2.gz GBVLPWPHPIMZFF-INIZCTEOSA-N 1 2 344.867 3.257 20 30 EGEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)C(F)=C1CCCC1 ZINC001010564758 1337223063 /nfs/dbraw/zinc/22/30/63/1337223063.db2.gz CKQLJECISOEPLQ-GOSISDBHSA-N 1 2 344.405 3.165 20 30 EGEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)C(F)=C1CCCC1 ZINC001010564758 1337223066 /nfs/dbraw/zinc/22/30/66/1337223066.db2.gz CKQLJECISOEPLQ-GOSISDBHSA-N 1 2 344.405 3.165 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2csc(C)n2)C[C@H]1C ZINC001207153379 1371312552 /nfs/dbraw/zinc/31/25/52/1371312552.db2.gz WUJXXMPVPNYAQH-QMTHXVAHSA-N 1 2 341.908 3.167 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2csc(C)n2)C[C@H]1C ZINC001207153379 1371312556 /nfs/dbraw/zinc/31/25/56/1371312556.db2.gz WUJXXMPVPNYAQH-QMTHXVAHSA-N 1 2 341.908 3.167 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc3c(C)c(C)[nH]c32)C1 ZINC001014978106 1337975457 /nfs/dbraw/zinc/97/54/57/1337975457.db2.gz LLJUHDFFTYGKPA-AWEZNQCLSA-N 1 2 331.847 3.341 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc3c(C)c(C)[nH]c32)C1 ZINC001014978106 1337975459 /nfs/dbraw/zinc/97/54/59/1337975459.db2.gz LLJUHDFFTYGKPA-AWEZNQCLSA-N 1 2 331.847 3.341 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)c2c(F)cccc2F)C1 ZINC001015273962 1338081514 /nfs/dbraw/zinc/08/15/14/1338081514.db2.gz IWCQIQUPIBIXBH-VXGBXAGGSA-N 1 2 328.790 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)c2c(F)cccc2F)C1 ZINC001015273962 1338081518 /nfs/dbraw/zinc/08/15/18/1338081518.db2.gz IWCQIQUPIBIXBH-VXGBXAGGSA-N 1 2 328.790 3.011 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)c2c(F)cccc2F)C1 ZINC001015273960 1338081732 /nfs/dbraw/zinc/08/17/32/1338081732.db2.gz IWCQIQUPIBIXBH-NWDGAFQWSA-N 1 2 328.790 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)c2c(F)cccc2F)C1 ZINC001015273960 1338081736 /nfs/dbraw/zinc/08/17/36/1338081736.db2.gz IWCQIQUPIBIXBH-NWDGAFQWSA-N 1 2 328.790 3.011 20 30 EGEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[C@]12C[C@H]1CCC2 ZINC001015343484 1338106759 /nfs/dbraw/zinc/10/67/59/1338106759.db2.gz UCRDEQWSPUWFSL-IMFGXOCKSA-N 1 2 342.870 3.072 20 30 EGEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[C@]12C[C@H]1CCC2 ZINC001015343484 1338106760 /nfs/dbraw/zinc/10/67/60/1338106760.db2.gz UCRDEQWSPUWFSL-IMFGXOCKSA-N 1 2 342.870 3.072 20 30 EGEDLO Cc1cocc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001015517168 1338165215 /nfs/dbraw/zinc/16/52/15/1338165215.db2.gz VWBKIGVQLNXHFH-KRWDZBQOSA-N 1 2 342.826 3.097 20 30 EGEDLO Cc1cocc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001015517168 1338165217 /nfs/dbraw/zinc/16/52/17/1338165217.db2.gz VWBKIGVQLNXHFH-KRWDZBQOSA-N 1 2 342.826 3.097 20 30 EGEDLO CC1(C)CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001015555686 1338178662 /nfs/dbraw/zinc/17/86/62/1338178662.db2.gz DNRDGSSRKLSMHZ-ROUUACIJSA-N 1 2 325.456 3.075 20 30 EGEDLO CC1(C)CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001015555686 1338178663 /nfs/dbraw/zinc/17/86/63/1338178663.db2.gz DNRDGSSRKLSMHZ-ROUUACIJSA-N 1 2 325.456 3.075 20 30 EGEDLO CCc1ccccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001015624770 1338212422 /nfs/dbraw/zinc/21/24/22/1338212422.db2.gz PRLANKDEGMTKPE-LJQANCHMSA-N 1 2 333.435 3.125 20 30 EGEDLO CCc1ccccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001015624770 1338212427 /nfs/dbraw/zinc/21/24/27/1338212427.db2.gz PRLANKDEGMTKPE-LJQANCHMSA-N 1 2 333.435 3.125 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3nc4ccccc4o3)C2)CC1 ZINC001015659897 1338238353 /nfs/dbraw/zinc/23/83/53/1338238353.db2.gz NEVACWAOBLGHDD-MRXNPFEDSA-N 1 2 339.439 3.265 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3nc4ccccc4o3)C2)CC1 ZINC001015659897 1338238357 /nfs/dbraw/zinc/23/83/57/1338238357.db2.gz NEVACWAOBLGHDD-MRXNPFEDSA-N 1 2 339.439 3.265 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccnc(Cl)c3)C2)CC1 ZINC001015659942 1338238658 /nfs/dbraw/zinc/23/86/58/1338238658.db2.gz OJHWCOGCKXZTSO-INIZCTEOSA-N 1 2 333.863 3.172 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccnc(Cl)c3)C2)CC1 ZINC001015659942 1338238660 /nfs/dbraw/zinc/23/86/60/1338238660.db2.gz OJHWCOGCKXZTSO-INIZCTEOSA-N 1 2 333.863 3.172 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(O)ccc3Cl)C2)CC1 ZINC001015659750 1338238827 /nfs/dbraw/zinc/23/88/27/1338238827.db2.gz JRKOMUKQKBXPQN-MRXNPFEDSA-N 1 2 348.874 3.483 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cc(O)ccc3Cl)C2)CC1 ZINC001015659750 1338238830 /nfs/dbraw/zinc/23/88/30/1338238830.db2.gz JRKOMUKQKBXPQN-MRXNPFEDSA-N 1 2 348.874 3.483 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccncc3Cl)C2)CC1 ZINC001015660304 1338239916 /nfs/dbraw/zinc/23/99/16/1338239916.db2.gz XDTDYYHZBVYZJQ-MRXNPFEDSA-N 1 2 333.863 3.172 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccncc3Cl)C2)CC1 ZINC001015660304 1338239920 /nfs/dbraw/zinc/23/99/20/1338239920.db2.gz XDTDYYHZBVYZJQ-MRXNPFEDSA-N 1 2 333.863 3.172 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3OC)C2)C1 ZINC001015671887 1338249040 /nfs/dbraw/zinc/24/90/40/1338249040.db2.gz GYZUIBWBZHFGRU-MRXNPFEDSA-N 1 2 348.874 3.395 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3cc(Cl)ccc3OC)C2)C1 ZINC001015671887 1338249044 /nfs/dbraw/zinc/24/90/44/1338249044.db2.gz GYZUIBWBZHFGRU-MRXNPFEDSA-N 1 2 348.874 3.395 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1)c1ccsc1 ZINC001015690123 1338261117 /nfs/dbraw/zinc/26/11/17/1338261117.db2.gz QEJDOUNOKUHCCF-KDOFPFPSSA-N 1 2 339.464 3.114 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1)c1ccsc1 ZINC001015690123 1338261121 /nfs/dbraw/zinc/26/11/21/1338261121.db2.gz QEJDOUNOKUHCCF-KDOFPFPSSA-N 1 2 339.464 3.114 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCc3ccccc3C2)C1 ZINC001016101369 1338463227 /nfs/dbraw/zinc/46/32/27/1338463227.db2.gz OOJFPVPIOHPSDM-MAUKXSAKSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCc3ccccc3C2)C1 ZINC001016101369 1338463228 /nfs/dbraw/zinc/46/32/28/1338463228.db2.gz OOJFPVPIOHPSDM-MAUKXSAKSA-N 1 2 332.875 3.125 20 30 EGEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ccc(C(F)F)o1 ZINC001016130644 1338471428 /nfs/dbraw/zinc/47/14/28/1338471428.db2.gz JBUHPXIAOPBRAC-HNNXBMFYSA-N 1 2 344.361 3.073 20 30 EGEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ccc(C(F)F)o1 ZINC001016130644 1338471429 /nfs/dbraw/zinc/47/14/29/1338471429.db2.gz JBUHPXIAOPBRAC-HNNXBMFYSA-N 1 2 344.361 3.073 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccc(OCC(C)C)c2)C1 ZINC001016215128 1338512230 /nfs/dbraw/zinc/51/22/30/1338512230.db2.gz ZJKXUXZJMUXQTM-MRXNPFEDSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(OCC(C)C)c2)C1 ZINC001016215128 1338512232 /nfs/dbraw/zinc/51/22/32/1338512232.db2.gz ZJKXUXZJMUXQTM-MRXNPFEDSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)c2ccc(F)cc2F)C1 ZINC001016305258 1338540869 /nfs/dbraw/zinc/54/08/69/1338540869.db2.gz JTPACGJXHWISOT-WCQYABFASA-N 1 2 328.790 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)c2ccc(F)cc2F)C1 ZINC001016305258 1338540873 /nfs/dbraw/zinc/54/08/73/1338540873.db2.gz JTPACGJXHWISOT-WCQYABFASA-N 1 2 328.790 3.011 20 30 EGEDLO CC1(C)CCC[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001016361901 1338566225 /nfs/dbraw/zinc/56/62/25/1338566225.db2.gz IRVUHPOZDHAFGC-VQIMIIECSA-N 1 2 339.483 3.465 20 30 EGEDLO CC1(C)CCC[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001016361901 1338566227 /nfs/dbraw/zinc/56/62/27/1338566227.db2.gz IRVUHPOZDHAFGC-VQIMIIECSA-N 1 2 339.483 3.465 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2ccc(CF)cc2)C1 ZINC001016365162 1338569188 /nfs/dbraw/zinc/56/91/88/1338569188.db2.gz UTCLBCFCJUDHBK-IBGZPJMESA-N 1 2 337.398 3.032 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2ccc(CF)cc2)C1 ZINC001016365162 1338569191 /nfs/dbraw/zinc/56/91/91/1338569191.db2.gz UTCLBCFCJUDHBK-IBGZPJMESA-N 1 2 337.398 3.032 20 30 EGEDLO CC(C)c1occc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001016377831 1338579962 /nfs/dbraw/zinc/57/99/62/1338579962.db2.gz INPJXLUHSXOXAV-ZDUSSCGKSA-N 1 2 343.452 3.340 20 30 EGEDLO CC(C)c1occc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001016377831 1338579964 /nfs/dbraw/zinc/57/99/64/1338579964.db2.gz INPJXLUHSXOXAV-ZDUSSCGKSA-N 1 2 343.452 3.340 20 30 EGEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1snc(Cl)c1Cl ZINC001017587528 1339373537 /nfs/dbraw/zinc/37/35/37/1339373537.db2.gz ZHBWBCQRUSHFHP-AOOOYVTPSA-N 1 2 346.283 3.315 20 30 EGEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1snc(Cl)c1Cl ZINC001017587528 1339373539 /nfs/dbraw/zinc/37/35/39/1339373539.db2.gz ZHBWBCQRUSHFHP-AOOOYVTPSA-N 1 2 346.283 3.315 20 30 EGEDLO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@]23C[C@H]2CCCC3)cc1 ZINC001017923726 1339453427 /nfs/dbraw/zinc/45/34/27/1339453427.db2.gz WGXCSUATYSIKSR-XWSHUIEDSA-N 1 2 349.478 3.314 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@]23C[C@H]2CCCC3)cc1 ZINC001017923726 1339453430 /nfs/dbraw/zinc/45/34/30/1339453430.db2.gz WGXCSUATYSIKSR-XWSHUIEDSA-N 1 2 349.478 3.314 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1ccccc1Cl ZINC001018007788 1339481174 /nfs/dbraw/zinc/48/11/74/1339481174.db2.gz RNXSHYPFZOQLEK-NXHRZFHOSA-N 1 2 344.886 3.217 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1ccccc1Cl ZINC001018007788 1339481176 /nfs/dbraw/zinc/48/11/76/1339481176.db2.gz RNXSHYPFZOQLEK-NXHRZFHOSA-N 1 2 344.886 3.217 20 30 EGEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)c1ccc(Cl)cc1 ZINC001018299577 1339568267 /nfs/dbraw/zinc/56/82/67/1339568267.db2.gz PVUJMFVPQNWMNK-KSZLIROESA-N 1 2 330.859 3.142 20 30 EGEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)c1ccc(Cl)cc1 ZINC001018299577 1339568271 /nfs/dbraw/zinc/56/82/71/1339568271.db2.gz PVUJMFVPQNWMNK-KSZLIROESA-N 1 2 330.859 3.142 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C2CC2)nc1C ZINC001028143372 1340450857 /nfs/dbraw/zinc/45/08/57/1340450857.db2.gz FICFJFNJVMKVGB-HNNXBMFYSA-N 1 2 333.863 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C2CC2)nc1C ZINC001028143372 1340450858 /nfs/dbraw/zinc/45/08/58/1340450858.db2.gz FICFJFNJVMKVGB-HNNXBMFYSA-N 1 2 333.863 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc([C@H](C)CC)no1 ZINC001028187138 1340475417 /nfs/dbraw/zinc/47/54/17/1340475417.db2.gz CVVGOKXICLIMLY-YPMHNXCESA-N 1 2 325.840 3.135 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc([C@H](C)CC)no1 ZINC001028187138 1340475419 /nfs/dbraw/zinc/47/54/19/1340475419.db2.gz CVVGOKXICLIMLY-YPMHNXCESA-N 1 2 325.840 3.135 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc(F)c1OCC ZINC001028228127 1340494281 /nfs/dbraw/zinc/49/42/81/1340494281.db2.gz KBNYZZOINZCVMZ-ZDUSSCGKSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(F)c1OCC ZINC001028228127 1340494284 /nfs/dbraw/zinc/49/42/84/1340494284.db2.gz KBNYZZOINZCVMZ-ZDUSSCGKSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1coc(C2CCCC2)n1 ZINC001028231387 1340495114 /nfs/dbraw/zinc/49/51/14/1340495114.db2.gz MFXWPYOKTCXMPU-AWEZNQCLSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1coc(C2CCCC2)n1 ZINC001028231387 1340495115 /nfs/dbraw/zinc/49/51/15/1340495115.db2.gz MFXWPYOKTCXMPU-AWEZNQCLSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001028270491 1340524641 /nfs/dbraw/zinc/52/46/41/1340524641.db2.gz LFVKUCBWKOUVFT-BPLDGKMQSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001028270491 1340524643 /nfs/dbraw/zinc/52/46/43/1340524643.db2.gz LFVKUCBWKOUVFT-BPLDGKMQSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc2c1OCC2(C)C ZINC001028355902 1340591679 /nfs/dbraw/zinc/59/16/79/1340591679.db2.gz VESWXKIJCPHGEZ-CQSZACIVSA-N 1 2 348.874 3.303 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc2c1OCC2(C)C ZINC001028355902 1340591681 /nfs/dbraw/zinc/59/16/81/1340591681.db2.gz VESWXKIJCPHGEZ-CQSZACIVSA-N 1 2 348.874 3.303 20 30 EGEDLO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1)C1CCC1 ZINC001029354516 1340975866 /nfs/dbraw/zinc/97/58/66/1340975866.db2.gz CKQBUTPYMNCJJG-BMFZPTHFSA-N 1 2 343.496 3.231 20 30 EGEDLO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1)C1CCC1 ZINC001029354516 1340975867 /nfs/dbraw/zinc/97/58/67/1340975867.db2.gz CKQBUTPYMNCJJG-BMFZPTHFSA-N 1 2 343.496 3.231 20 30 EGEDLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)CCCC1 ZINC001029413076 1340985319 /nfs/dbraw/zinc/98/53/19/1340985319.db2.gz SXWGYWPJWWZAQT-BGYRXZFFSA-N 1 2 336.479 3.294 20 30 EGEDLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)CCCC1 ZINC001029413076 1340985320 /nfs/dbraw/zinc/98/53/20/1340985320.db2.gz SXWGYWPJWWZAQT-BGYRXZFFSA-N 1 2 336.479 3.294 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc(C)s1 ZINC001029452810 1340993514 /nfs/dbraw/zinc/99/35/14/1340993514.db2.gz DSIMEFHAAFNVGP-RVKKMQEKSA-N 1 2 333.501 3.229 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc(C)s1 ZINC001029452810 1340993515 /nfs/dbraw/zinc/99/35/15/1340993515.db2.gz DSIMEFHAAFNVGP-RVKKMQEKSA-N 1 2 333.501 3.229 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1cnc(C)cn1 ZINC001029454272 1340993584 /nfs/dbraw/zinc/99/35/84/1340993584.db2.gz XKCQWHHETXEIQN-MIALQEHNSA-N 1 2 342.487 3.124 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1cnc(C)cn1 ZINC001029454272 1340993585 /nfs/dbraw/zinc/99/35/85/1340993585.db2.gz XKCQWHHETXEIQN-MIALQEHNSA-N 1 2 342.487 3.124 20 30 EGEDLO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1)c1ccco1 ZINC001029469399 1340997343 /nfs/dbraw/zinc/99/73/43/1340997343.db2.gz IXFUMFRIRZBSIG-YSIASYRMSA-N 1 2 348.446 3.110 20 30 EGEDLO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1)c1ccco1 ZINC001029469399 1340997344 /nfs/dbraw/zinc/99/73/44/1340997344.db2.gz IXFUMFRIRZBSIG-YSIASYRMSA-N 1 2 348.446 3.110 20 30 EGEDLO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1)C(C)(F)F ZINC001029478031 1340998374 /nfs/dbraw/zinc/99/83/74/1340998374.db2.gz XDNLZAWKUWUGDR-NXHRZFHOSA-N 1 2 346.421 3.005 20 30 EGEDLO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1)C(C)(F)F ZINC001029478031 1340998375 /nfs/dbraw/zinc/99/83/75/1340998375.db2.gz XDNLZAWKUWUGDR-NXHRZFHOSA-N 1 2 346.421 3.005 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccncc2Cl)CC[C@H]1C ZINC001071845191 1354976504 /nfs/dbraw/zinc/97/65/04/1354976504.db2.gz YIJJBDDZXMCSMD-NEPJUHHUSA-N 1 2 328.243 3.070 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccncc2Cl)CC[C@H]1C ZINC001071845191 1354976509 /nfs/dbraw/zinc/97/65/09/1354976509.db2.gz YIJJBDDZXMCSMD-NEPJUHHUSA-N 1 2 328.243 3.070 20 30 EGEDLO CC(C)c1ccc([C@H](C)[NH+]2CC(NC(=O)c3cc(C#N)c[nH]3)C2)cc1 ZINC001030195820 1341171307 /nfs/dbraw/zinc/17/13/07/1341171307.db2.gz IUOSQMVTZLAXJH-AWEZNQCLSA-N 1 2 336.439 3.185 20 30 EGEDLO CC1(C)CC(C(=O)NCC2C[NH+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC001031646457 1341381322 /nfs/dbraw/zinc/38/13/22/1341381322.db2.gz ADQFLWUFWTWWMG-UHFFFAOYSA-N 1 2 344.886 3.176 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001031906119 1341418975 /nfs/dbraw/zinc/41/89/75/1341418975.db2.gz FMLKOJKMVIJAOA-GOSISDBHSA-N 1 2 344.886 3.176 20 30 EGEDLO CC1(C)CCC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031906707 1341419373 /nfs/dbraw/zinc/41/93/73/1341419373.db2.gz RLZHXAHMBVBQMN-IBGZPJMESA-N 1 2 342.458 3.052 20 30 EGEDLO C[C@@H]1CCC[C@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001031939429 1341426994 /nfs/dbraw/zinc/42/69/94/1341426994.db2.gz UARVWBVTUDQXQT-PBHICJAKSA-N 1 2 343.446 3.072 20 30 EGEDLO CC[C@H]1CCC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031953375 1341430915 /nfs/dbraw/zinc/43/09/15/1341430915.db2.gz JHOZCKMYOABWKA-AZUAARDMSA-N 1 2 342.458 3.052 20 30 EGEDLO C[C@H]1CC[C@@H](C(=O)NCC2C[NH+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC001032025582 1341441570 /nfs/dbraw/zinc/44/15/70/1341441570.db2.gz VFLMVCPAZXVMLC-MAUKXSAKSA-N 1 2 344.886 3.176 20 30 EGEDLO CC[C@H]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001032086876 1341451564 /nfs/dbraw/zinc/45/15/64/1341451564.db2.gz CJPGMSKYDUQGGW-FXAWDEMLSA-N 1 2 339.483 3.323 20 30 EGEDLO CC[C@]1(C)C[C@H]1C(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001032092732 1341453744 /nfs/dbraw/zinc/45/37/44/1341453744.db2.gz ZLEKRBATHYKTNY-AZUAARDMSA-N 1 2 344.886 3.176 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001032147219 1341463810 /nfs/dbraw/zinc/46/38/10/1341463810.db2.gz YDDONNWGRVEHJS-UHFFFAOYSA-N 1 2 333.646 3.408 20 30 EGEDLO Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)s1 ZINC001032253537 1341481539 /nfs/dbraw/zinc/48/15/39/1341481539.db2.gz IQDBIFMHWBRFIY-IRXDYDNUSA-N 1 2 337.448 3.027 20 30 EGEDLO Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)s1 ZINC001032253537 1341481540 /nfs/dbraw/zinc/48/15/40/1341481540.db2.gz IQDBIFMHWBRFIY-IRXDYDNUSA-N 1 2 337.448 3.027 20 30 EGEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001032638762 1341566606 /nfs/dbraw/zinc/56/66/06/1341566606.db2.gz PWIJIYBOVKALHF-UWHLTILDSA-N 1 2 336.479 3.269 20 30 EGEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001032638762 1341566607 /nfs/dbraw/zinc/56/66/07/1341566607.db2.gz PWIJIYBOVKALHF-UWHLTILDSA-N 1 2 336.479 3.269 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC001033090675 1341720410 /nfs/dbraw/zinc/72/04/10/1341720410.db2.gz HLOHSNPCAHJYOP-KURKYZTESA-N 1 2 348.874 3.192 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC001033090675 1341720411 /nfs/dbraw/zinc/72/04/11/1341720411.db2.gz HLOHSNPCAHJYOP-KURKYZTESA-N 1 2 348.874 3.192 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2c(F)ccc3ccncc32)C1 ZINC001033102134 1341723546 /nfs/dbraw/zinc/72/35/46/1341723546.db2.gz MTHVFHRBWMRYMI-AWEZNQCLSA-N 1 2 347.821 3.273 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2c(F)ccc3ccncc32)C1 ZINC001033102134 1341723547 /nfs/dbraw/zinc/72/35/47/1341723547.db2.gz MTHVFHRBWMRYMI-AWEZNQCLSA-N 1 2 347.821 3.273 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc(OCCC)c2)C1 ZINC001033120836 1341732160 /nfs/dbraw/zinc/73/21/60/1341732160.db2.gz YMKYTWSYRZTESY-INIZCTEOSA-N 1 2 336.863 3.374 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(OCCC)c2)C1 ZINC001033120836 1341732162 /nfs/dbraw/zinc/73/21/62/1341732162.db2.gz YMKYTWSYRZTESY-INIZCTEOSA-N 1 2 336.863 3.374 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc3ccc(C)nc32)C1 ZINC001033179766 1341746971 /nfs/dbraw/zinc/74/69/71/1341746971.db2.gz CUIPDWJPMLIFFA-MRXNPFEDSA-N 1 2 343.858 3.442 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3ccc(C)nc32)C1 ZINC001033179766 1341746974 /nfs/dbraw/zinc/74/69/74/1341746974.db2.gz CUIPDWJPMLIFFA-MRXNPFEDSA-N 1 2 343.858 3.442 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2CCc3ccccc3CC2)C1 ZINC001033215328 1341754930 /nfs/dbraw/zinc/75/49/30/1341754930.db2.gz VEHCCYNWXLISPB-IBGZPJMESA-N 1 2 346.902 3.467 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2CCc3ccccc3CC2)C1 ZINC001033215328 1341754931 /nfs/dbraw/zinc/75/49/31/1341754931.db2.gz VEHCCYNWXLISPB-IBGZPJMESA-N 1 2 346.902 3.467 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2cccs2)C1 ZINC001033325630 1341781912 /nfs/dbraw/zinc/78/19/12/1341781912.db2.gz WWHOBYZVIIMMAU-CYBMUJFWSA-N 1 2 326.893 3.311 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2cccs2)C1 ZINC001033325630 1341781913 /nfs/dbraw/zinc/78/19/13/1341781913.db2.gz WWHOBYZVIIMMAU-CYBMUJFWSA-N 1 2 326.893 3.311 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cncc3sccc32)C1 ZINC001033359534 1341795959 /nfs/dbraw/zinc/79/59/59/1341795959.db2.gz XWIDYYFZWXJAIN-GFCCVEGCSA-N 1 2 335.860 3.195 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cncc3sccc32)C1 ZINC001033359534 1341795960 /nfs/dbraw/zinc/79/59/60/1341795960.db2.gz XWIDYYFZWXJAIN-GFCCVEGCSA-N 1 2 335.860 3.195 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3csc(CC)n3)C2)C1 ZINC001033393401 1341810652 /nfs/dbraw/zinc/81/06/52/1341810652.db2.gz ISNLJMJIUZWJLR-OAHLLOKOSA-N 1 2 333.501 3.095 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@H+](Cc3csc(CC)n3)C2)C1 ZINC001033393401 1341810653 /nfs/dbraw/zinc/81/06/53/1341810653.db2.gz ISNLJMJIUZWJLR-OAHLLOKOSA-N 1 2 333.501 3.095 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)c(F)c2)C1 ZINC001033448758 1341828761 /nfs/dbraw/zinc/82/87/61/1341828761.db2.gz IWLPJKVCYCEIIV-GFCCVEGCSA-N 1 2 331.218 3.378 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)c(F)c2)C1 ZINC001033448758 1341828762 /nfs/dbraw/zinc/82/87/62/1341828762.db2.gz IWLPJKVCYCEIIV-GFCCVEGCSA-N 1 2 331.218 3.378 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(F)cc3cccnc32)C1 ZINC001033469481 1341838776 /nfs/dbraw/zinc/83/87/76/1341838776.db2.gz NFDBKPLZJOWCJE-OAHLLOKOSA-N 1 2 347.821 3.273 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(F)cc3cccnc32)C1 ZINC001033469481 1341838778 /nfs/dbraw/zinc/83/87/78/1341838778.db2.gz NFDBKPLZJOWCJE-OAHLLOKOSA-N 1 2 347.821 3.273 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3cccc(OC)c32)C1 ZINC001033487484 1341843719 /nfs/dbraw/zinc/84/37/19/1341843719.db2.gz HGYFYYGJSVEGTE-JKSUJKDBSA-N 1 2 348.874 3.010 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3cccc(OC)c32)C1 ZINC001033487484 1341843721 /nfs/dbraw/zinc/84/37/21/1341843721.db2.gz HGYFYYGJSVEGTE-JKSUJKDBSA-N 1 2 348.874 3.010 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3cccnc3c2)C1 ZINC001033509878 1341851973 /nfs/dbraw/zinc/85/19/73/1341851973.db2.gz PYPFFNCBDOUEIQ-MRXNPFEDSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3cccnc3c2)C1 ZINC001033509878 1341851975 /nfs/dbraw/zinc/85/19/75/1341851975.db2.gz PYPFFNCBDOUEIQ-MRXNPFEDSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccccc2)C1 ZINC001033733716 1341983704 /nfs/dbraw/zinc/98/37/04/1341983704.db2.gz GUHNOFGDBLKYAB-OAHLLOKOSA-N 1 2 337.261 3.132 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccccc2)C1 ZINC001033733716 1341983705 /nfs/dbraw/zinc/98/37/05/1341983705.db2.gz GUHNOFGDBLKYAB-OAHLLOKOSA-N 1 2 337.261 3.132 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(F)ccc2F)C1 ZINC001033858087 1342047660 /nfs/dbraw/zinc/04/76/60/1342047660.db2.gz FCPRKFRQLNLEFH-CYBMUJFWSA-N 1 2 328.790 3.254 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(F)ccc2F)C1 ZINC001033858087 1342047663 /nfs/dbraw/zinc/04/76/63/1342047663.db2.gz FCPRKFRQLNLEFH-CYBMUJFWSA-N 1 2 328.790 3.254 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(OC)cc2F)C1 ZINC001033885268 1342058504 /nfs/dbraw/zinc/05/85/04/1342058504.db2.gz NGCDUXOYTCJUTC-CYBMUJFWSA-N 1 2 340.826 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(OC)cc2F)C1 ZINC001033885268 1342058505 /nfs/dbraw/zinc/05/85/05/1342058505.db2.gz NGCDUXOYTCJUTC-CYBMUJFWSA-N 1 2 340.826 3.123 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2n[nH]c3ccc(C)cc32)C1 ZINC001033887953 1342060800 /nfs/dbraw/zinc/06/08/00/1342060800.db2.gz LIYSACGWHXHWAQ-CQSZACIVSA-N 1 2 346.862 3.160 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2n[nH]c3ccc(C)cc32)C1 ZINC001033887953 1342060806 /nfs/dbraw/zinc/06/08/06/1342060806.db2.gz LIYSACGWHXHWAQ-CQSZACIVSA-N 1 2 346.862 3.160 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](Cc3nc(C)oc3C)C2)CC1 ZINC001033951577 1342109939 /nfs/dbraw/zinc/10/99/39/1342109939.db2.gz XIUZIVVBRVRXIB-GOSISDBHSA-N 1 2 345.487 3.461 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](Cc3nc(C)oc3C)C2)CC1 ZINC001033951577 1342109940 /nfs/dbraw/zinc/10/99/40/1342109940.db2.gz XIUZIVVBRVRXIB-GOSISDBHSA-N 1 2 345.487 3.461 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001033956966 1342112987 /nfs/dbraw/zinc/11/29/87/1342112987.db2.gz IJFZNIHTJGIWTE-KBPBESRZSA-N 1 2 334.838 3.487 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001033956966 1342112990 /nfs/dbraw/zinc/11/29/90/1342112990.db2.gz IJFZNIHTJGIWTE-KBPBESRZSA-N 1 2 334.838 3.487 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)C1 ZINC001033981192 1342128167 /nfs/dbraw/zinc/12/81/67/1342128167.db2.gz DUOHFTBLCUIRJJ-GDAAHCPNSA-N 1 2 344.886 3.248 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)C1 ZINC001033981192 1342128168 /nfs/dbraw/zinc/12/81/68/1342128168.db2.gz DUOHFTBLCUIRJJ-GDAAHCPNSA-N 1 2 344.886 3.248 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(OCC)cc2)C1 ZINC001034033015 1342171404 /nfs/dbraw/zinc/17/14/04/1342171404.db2.gz UPAIIOHQESRDED-MRXNPFEDSA-N 1 2 336.863 3.374 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(OCC)cc2)C1 ZINC001034033015 1342171407 /nfs/dbraw/zinc/17/14/07/1342171407.db2.gz UPAIIOHQESRDED-MRXNPFEDSA-N 1 2 336.863 3.374 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4oc(C)nc4c3)[C@@H]2C1 ZINC001075930699 1356447220 /nfs/dbraw/zinc/44/72/20/1356447220.db2.gz OSBJFBMGGBYQAH-GOEBONIOSA-N 1 2 345.830 3.035 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4oc(C)nc4c3)[C@@H]2C1 ZINC001075930699 1356447226 /nfs/dbraw/zinc/44/72/26/1356447226.db2.gz OSBJFBMGGBYQAH-GOEBONIOSA-N 1 2 345.830 3.035 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2csc(C3CC3)n2)C1 ZINC001034051590 1342193522 /nfs/dbraw/zinc/19/35/22/1342193522.db2.gz VSVLCOBVMJTEDB-ZDUSSCGKSA-N 1 2 339.892 3.309 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2csc(C3CC3)n2)C1 ZINC001034051590 1342193524 /nfs/dbraw/zinc/19/35/24/1342193524.db2.gz VSVLCOBVMJTEDB-ZDUSSCGKSA-N 1 2 339.892 3.309 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc3oc(C)nc32)C1 ZINC001034051552 1342193790 /nfs/dbraw/zinc/19/37/90/1342193790.db2.gz YCFGYJBRKWWWIB-CQSZACIVSA-N 1 2 347.846 3.425 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc3oc(C)nc32)C1 ZINC001034051552 1342193792 /nfs/dbraw/zinc/19/37/92/1342193792.db2.gz YCFGYJBRKWWWIB-CQSZACIVSA-N 1 2 347.846 3.425 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H](NC(=O)c2cccs2)C1 ZINC001034082844 1342220543 /nfs/dbraw/zinc/22/05/43/1342220543.db2.gz AAGIHBQSWSEQIN-QGZVFWFLSA-N 1 2 339.464 3.404 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H](NC(=O)c2cccs2)C1 ZINC001034082844 1342220547 /nfs/dbraw/zinc/22/05/47/1342220547.db2.gz AAGIHBQSWSEQIN-QGZVFWFLSA-N 1 2 339.464 3.404 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001034247503 1342344673 /nfs/dbraw/zinc/34/46/73/1342344673.db2.gz OLPDKWAKQTZNDV-ZDUSSCGKSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001034247503 1342344676 /nfs/dbraw/zinc/34/46/76/1342344676.db2.gz OLPDKWAKQTZNDV-ZDUSSCGKSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ncsc2C2CC2)C1 ZINC001034398924 1342466264 /nfs/dbraw/zinc/46/62/64/1342466264.db2.gz QMFUWMFLCXUZAC-CYBMUJFWSA-N 1 2 339.892 3.357 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ncsc2C2CC2)C1 ZINC001034398924 1342466266 /nfs/dbraw/zinc/46/62/66/1342466266.db2.gz QMFUWMFLCXUZAC-CYBMUJFWSA-N 1 2 339.892 3.357 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2sc(C)cc2OC)C1 ZINC001034434974 1342496963 /nfs/dbraw/zinc/49/69/63/1342496963.db2.gz QQACXGZRZJULAK-CYBMUJFWSA-N 1 2 342.892 3.402 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2sc(C)cc2OC)C1 ZINC001034434974 1342496966 /nfs/dbraw/zinc/49/69/66/1342496966.db2.gz QQACXGZRZJULAK-CYBMUJFWSA-N 1 2 342.892 3.402 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2Cc3cccc(C)c3O2)C1 ZINC001034563495 1342618995 /nfs/dbraw/zinc/61/89/95/1342618995.db2.gz JVCKHGYUNXGZKD-DLBZAZTESA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2Cc3cccc(C)c3O2)C1 ZINC001034563495 1342618998 /nfs/dbraw/zinc/61/89/98/1342618998.db2.gz JVCKHGYUNXGZKD-DLBZAZTESA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC001035584981 1343094302 /nfs/dbraw/zinc/09/43/02/1343094302.db2.gz ARGDAAKDECDVDM-ZDUSSCGKSA-N 1 2 343.254 3.000 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC001035584981 1343094307 /nfs/dbraw/zinc/09/43/07/1343094307.db2.gz ARGDAAKDECDVDM-ZDUSSCGKSA-N 1 2 343.254 3.000 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1nc(C)sc1C)CC2 ZINC001035730362 1343156518 /nfs/dbraw/zinc/15/65/18/1343156518.db2.gz BLMYDTNARYQKLV-UHFFFAOYSA-N 1 2 339.892 3.050 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC2(C[NH+](Cc3csc(C)n3)C2)CC1 ZINC001035766656 1343177970 /nfs/dbraw/zinc/17/79/70/1343177970.db2.gz JYYDMZINAOYNIP-UHFFFAOYSA-N 1 2 347.528 3.478 20 30 EGEDLO C=C1CCC(C(=O)N2CCC3(C[NH+](Cc4cc(C)on4)C3)CC2)CC1 ZINC001035786463 1343197530 /nfs/dbraw/zinc/19/75/30/1343197530.db2.gz YVPGBIPXJIWOPJ-UHFFFAOYSA-N 1 2 343.471 3.154 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cccc3c1CCC3)CC2 ZINC001035859813 1343235784 /nfs/dbraw/zinc/23/57/84/1343235784.db2.gz JOIQYARAGVBKFL-UHFFFAOYSA-N 1 2 344.886 3.466 20 30 EGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(Cl)cc1 ZINC001038265441 1344348009 /nfs/dbraw/zinc/34/80/09/1344348009.db2.gz FFIPMRPCEXHYBL-KURKYZTESA-N 1 2 348.874 3.012 20 30 EGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001038265441 1344348010 /nfs/dbraw/zinc/34/80/10/1344348010.db2.gz FFIPMRPCEXHYBL-KURKYZTESA-N 1 2 348.874 3.012 20 30 EGEDLO Cc1cc(C)c(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)s1 ZINC001038303008 1344370942 /nfs/dbraw/zinc/37/09/42/1344370942.db2.gz ZAYIUGIMLWHHMW-QGZVFWFLSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1cc(C)c(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)s1 ZINC001038303008 1344370946 /nfs/dbraw/zinc/37/09/46/1344370946.db2.gz ZAYIUGIMLWHHMW-QGZVFWFLSA-N 1 2 339.464 3.241 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1Cl ZINC001038345690 1344389573 /nfs/dbraw/zinc/38/95/73/1344389573.db2.gz REQXAZWGKISEKI-INIZCTEOSA-N 1 2 343.858 3.332 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1Cl ZINC001038345690 1344389575 /nfs/dbraw/zinc/38/95/75/1344389575.db2.gz REQXAZWGKISEKI-INIZCTEOSA-N 1 2 343.858 3.332 20 30 EGEDLO Cc1ccc(F)c(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)c1 ZINC001038752806 1344567620 /nfs/dbraw/zinc/56/76/20/1344567620.db2.gz DYFJBGBHLMQZJC-KRWDZBQOSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1ccc(F)c(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)c1 ZINC001038752806 1344567623 /nfs/dbraw/zinc/56/76/23/1344567623.db2.gz DYFJBGBHLMQZJC-KRWDZBQOSA-N 1 2 337.398 3.010 20 30 EGEDLO CCc1oc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)cc1C ZINC001038909946 1344647771 /nfs/dbraw/zinc/64/77/71/1344647771.db2.gz JWRNVJZHCJIEJR-KRWDZBQOSA-N 1 2 337.423 3.026 20 30 EGEDLO CCc1oc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)cc1C ZINC001038909946 1344647775 /nfs/dbraw/zinc/64/77/75/1344647775.db2.gz JWRNVJZHCJIEJR-KRWDZBQOSA-N 1 2 337.423 3.026 20 30 EGEDLO CCc1ccsc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001039048340 1344734157 /nfs/dbraw/zinc/73/41/57/1344734157.db2.gz RUBJRDKJVVWZFO-KRWDZBQOSA-N 1 2 339.464 3.186 20 30 EGEDLO CCc1ccsc1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001039048340 1344734158 /nfs/dbraw/zinc/73/41/58/1344734158.db2.gz RUBJRDKJVVWZFO-KRWDZBQOSA-N 1 2 339.464 3.186 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(F)c(F)cc2Cl)C1 ZINC001080886438 1357759051 /nfs/dbraw/zinc/75/90/51/1357759051.db2.gz HFSYTBCGQOKKRT-XLKFXECMSA-N 1 2 349.208 3.421 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(F)c(F)cc2Cl)C1 ZINC001080886438 1357759055 /nfs/dbraw/zinc/75/90/55/1357759055.db2.gz HFSYTBCGQOKKRT-XLKFXECMSA-N 1 2 349.208 3.421 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1=CCCC1 ZINC001039357249 1345027331 /nfs/dbraw/zinc/02/73/31/1345027331.db2.gz QYFPCERJRFWXCE-CABCVRRESA-N 1 2 339.277 3.071 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1=CCCC1 ZINC001039357249 1345027332 /nfs/dbraw/zinc/02/73/32/1345027332.db2.gz QYFPCERJRFWXCE-CABCVRRESA-N 1 2 339.277 3.071 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CC ZINC001039427117 1345063316 /nfs/dbraw/zinc/06/33/16/1345063316.db2.gz IRAYFLUJSPHYQB-KGLIPLIRSA-N 1 2 343.309 3.397 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CC ZINC001039427117 1345063320 /nfs/dbraw/zinc/06/33/20/1345063320.db2.gz IRAYFLUJSPHYQB-KGLIPLIRSA-N 1 2 343.309 3.397 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ncoc1C(C)C ZINC001039459286 1345078626 /nfs/dbraw/zinc/07/86/26/1345078626.db2.gz ONLNVQMSJVBKQE-KGLIPLIRSA-N 1 2 337.851 3.229 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ncoc1C(C)C ZINC001039459286 1345078628 /nfs/dbraw/zinc/07/86/28/1345078628.db2.gz ONLNVQMSJVBKQE-KGLIPLIRSA-N 1 2 337.851 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(C)(F)F ZINC001039462775 1345081152 /nfs/dbraw/zinc/08/11/52/1345081152.db2.gz FNKJGLYWUWKYLT-OLZOCXBDSA-N 1 2 334.838 3.486 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(C)(F)F ZINC001039462775 1345081156 /nfs/dbraw/zinc/08/11/56/1345081156.db2.gz FNKJGLYWUWKYLT-OLZOCXBDSA-N 1 2 334.838 3.486 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1OC ZINC001039462614 1345081239 /nfs/dbraw/zinc/08/12/39/1345081239.db2.gz WFNQRKQTCJWWMB-CABCVRRESA-N 1 2 334.847 3.127 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1OC ZINC001039462614 1345081241 /nfs/dbraw/zinc/08/12/41/1345081241.db2.gz WFNQRKQTCJWWMB-CABCVRRESA-N 1 2 334.847 3.127 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COc1ccccc1C ZINC001039465442 1345082790 /nfs/dbraw/zinc/08/27/90/1345082790.db2.gz GYZSAPJPJRGWDV-SJORKVTESA-N 1 2 348.874 3.192 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COc1ccccc1C ZINC001039465442 1345082792 /nfs/dbraw/zinc/08/27/92/1345082792.db2.gz GYZSAPJPJRGWDV-SJORKVTESA-N 1 2 348.874 3.192 20 30 EGEDLO C[C@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cccc(C#N)c2)C=CCC1 ZINC001039837278 1345205710 /nfs/dbraw/zinc/20/57/10/1345205710.db2.gz CUQXCWYLGWQACL-VWPQPMDRSA-N 1 2 349.478 3.480 20 30 EGEDLO C[C@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cccc(C#N)c2)C=CCC1 ZINC001039837278 1345205713 /nfs/dbraw/zinc/20/57/13/1345205713.db2.gz CUQXCWYLGWQACL-VWPQPMDRSA-N 1 2 349.478 3.480 20 30 EGEDLO CC(C)[C@@H](F)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001039849547 1345209997 /nfs/dbraw/zinc/20/99/97/1345209997.db2.gz OFIQIIJNQPJXRZ-CEXWTWQISA-N 1 2 343.446 3.118 20 30 EGEDLO CC(C)[C@@H](F)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001039849547 1345209999 /nfs/dbraw/zinc/20/99/99/1345209999.db2.gz OFIQIIJNQPJXRZ-CEXWTWQISA-N 1 2 343.446 3.118 20 30 EGEDLO CC(F)(F)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001039896157 1345238822 /nfs/dbraw/zinc/23/88/22/1345238822.db2.gz FCRYPOOSGUDOTH-HDICACEKSA-N 1 2 346.421 3.149 20 30 EGEDLO CC(F)(F)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001039896157 1345238823 /nfs/dbraw/zinc/23/88/23/1345238823.db2.gz FCRYPOOSGUDOTH-HDICACEKSA-N 1 2 346.421 3.149 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cnc(C)s2)C1 ZINC001039906326 1345243475 /nfs/dbraw/zinc/24/34/75/1345243475.db2.gz KVMGLMIPALQIFG-IYBDPMFKSA-N 1 2 345.512 3.373 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cnc(C)s2)C1 ZINC001039906326 1345243479 /nfs/dbraw/zinc/24/34/79/1345243479.db2.gz KVMGLMIPALQIFG-IYBDPMFKSA-N 1 2 345.512 3.373 20 30 EGEDLO CC(C)[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001039936821 1345250962 /nfs/dbraw/zinc/25/09/62/1345250962.db2.gz HQVPVECHGQJBJJ-FFZOFVMBSA-N 1 2 339.483 3.416 20 30 EGEDLO CC(C)[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001039936821 1345250964 /nfs/dbraw/zinc/25/09/64/1345250964.db2.gz HQVPVECHGQJBJJ-FFZOFVMBSA-N 1 2 339.483 3.416 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)CC1CCCC1 ZINC001079374461 1357238370 /nfs/dbraw/zinc/23/83/70/1357238370.db2.gz QJTSEWHAFKGQDU-AUUYWEPGSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)CC1CCCC1 ZINC001079374461 1357238371 /nfs/dbraw/zinc/23/83/71/1357238371.db2.gz QJTSEWHAFKGQDU-AUUYWEPGSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3c(C)noc3C3CC3)C[C@@H]21 ZINC001042156123 1345958748 /nfs/dbraw/zinc/95/87/48/1345958748.db2.gz PZYIYIZJVWVICT-ZFWWWQNUSA-N 1 2 349.862 3.149 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3c(C)noc3C3CC3)C[C@@H]21 ZINC001042156123 1345958749 /nfs/dbraw/zinc/95/87/49/1345958749.db2.gz PZYIYIZJVWVICT-ZFWWWQNUSA-N 1 2 349.862 3.149 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)C3(C)CCC3)C[C@H]21 ZINC001042182276 1345970145 /nfs/dbraw/zinc/97/01/45/1345970145.db2.gz DKPADWRGJXZCKZ-ZIAGYGMSSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3(C)CCC3)C[C@H]21 ZINC001042182276 1345970147 /nfs/dbraw/zinc/97/01/47/1345970147.db2.gz DKPADWRGJXZCKZ-ZIAGYGMSSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4ncc(CC)o4)[C@H]3C2)C1 ZINC001042227380 1345996121 /nfs/dbraw/zinc/99/61/21/1345996121.db2.gz JLYYMDPKZLSHFV-RDJZCZTQSA-N 1 2 343.471 3.016 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@H+](Cc4ncc(CC)o4)[C@H]3C2)C1 ZINC001042227380 1345996124 /nfs/dbraw/zinc/99/61/24/1345996124.db2.gz JLYYMDPKZLSHFV-RDJZCZTQSA-N 1 2 343.471 3.016 20 30 EGEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+]([C@@H]3CCc4ccc(F)cc43)C2)cc1 ZINC001043505962 1346184491 /nfs/dbraw/zinc/18/44/91/1346184491.db2.gz LLHZTCPURCXFBR-OAQYLSRUSA-N 1 2 348.421 3.251 20 30 EGEDLO C=C1CCC(C(=O)N(C)C2C[NH+](CCOc3ccccc3C)C2)CC1 ZINC001043758866 1346204642 /nfs/dbraw/zinc/20/46/42/1346204642.db2.gz BGFUADXACXCGCZ-UHFFFAOYSA-N 1 2 342.483 3.263 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](Cc3ccc4ncccc4c3)C2)C1 ZINC001043803990 1346211338 /nfs/dbraw/zinc/21/13/38/1346211338.db2.gz SPYUAXHWFFSGRS-UHFFFAOYSA-N 1 2 335.451 3.234 20 30 EGEDLO CC1CC(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]2C)C1 ZINC001079553152 1357301981 /nfs/dbraw/zinc/30/19/81/1357301981.db2.gz ACYBREWKZIAXSZ-ZSVMCUKPSA-N 1 2 344.886 3.174 20 30 EGEDLO CC1CC(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]2C)C1 ZINC001079553152 1357301984 /nfs/dbraw/zinc/30/19/84/1357301984.db2.gz ACYBREWKZIAXSZ-ZSVMCUKPSA-N 1 2 344.886 3.174 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1nnc(C)o1 ZINC001045825406 1346709294 /nfs/dbraw/zinc/70/92/94/1346709294.db2.gz AQXRUDPENITVKS-BMFZPTHFSA-N 1 2 346.475 3.107 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1nnc(C)o1 ZINC001045825406 1346709295 /nfs/dbraw/zinc/70/92/95/1346709295.db2.gz AQXRUDPENITVKS-BMFZPTHFSA-N 1 2 346.475 3.107 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(F)C(F)(F)F)C2 ZINC001045938467 1346774398 /nfs/dbraw/zinc/77/43/98/1346774398.db2.gz BUMIDHVFXACRSW-HIFRSBDPSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C(F)C(F)(F)F)C2 ZINC001045938467 1346774401 /nfs/dbraw/zinc/77/44/01/1346774401.db2.gz BUMIDHVFXACRSW-HIFRSBDPSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](F)C(F)(F)F)C2 ZINC001045938467 1346774403 /nfs/dbraw/zinc/77/44/03/1346774403.db2.gz BUMIDHVFXACRSW-HIFRSBDPSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](F)C(F)(F)F)C2 ZINC001045938467 1346774404 /nfs/dbraw/zinc/77/44/04/1346774404.db2.gz BUMIDHVFXACRSW-HIFRSBDPSA-N 1 2 336.373 3.168 20 30 EGEDLO C[C@]1(NC(=O)c2sccc2F)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046296069 1346925665 /nfs/dbraw/zinc/92/56/65/1346925665.db2.gz HDCAUNHDEONHMQ-IBGZPJMESA-N 1 2 342.439 3.133 20 30 EGEDLO C[C@]1(NC(=O)c2sccc2F)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046296069 1346925666 /nfs/dbraw/zinc/92/56/66/1346925666.db2.gz HDCAUNHDEONHMQ-IBGZPJMESA-N 1 2 342.439 3.133 20 30 EGEDLO Cc1csc(C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001046299933 1346927132 /nfs/dbraw/zinc/92/71/32/1346927132.db2.gz UNHNBHGWJZXHKX-LJQANCHMSA-N 1 2 339.464 3.323 20 30 EGEDLO Cc1csc(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001046299933 1346927135 /nfs/dbraw/zinc/92/71/35/1346927135.db2.gz UNHNBHGWJZXHKX-LJQANCHMSA-N 1 2 339.464 3.323 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCC23CC3)C1 ZINC001046417070 1346968002 /nfs/dbraw/zinc/96/80/02/1346968002.db2.gz IIEZXOQGFBFSQS-UKRRQHHQSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCC23CC3)C1 ZINC001046417070 1346968004 /nfs/dbraw/zinc/96/80/04/1346968004.db2.gz IIEZXOQGFBFSQS-UKRRQHHQSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2nc(Cl)sc2C)C1 ZINC001046475789 1346987758 /nfs/dbraw/zinc/98/77/58/1346987758.db2.gz LDAQBESFUHFUTQ-CYBMUJFWSA-N 1 2 334.272 3.052 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2nc(Cl)sc2C)C1 ZINC001046475789 1346987761 /nfs/dbraw/zinc/98/77/61/1346987761.db2.gz LDAQBESFUHFUTQ-CYBMUJFWSA-N 1 2 334.272 3.052 20 30 EGEDLO C=C1CCC(C(=O)N[C@@]2(C)CC[N@H+](Cc3coc(C4CC4)n3)C2)CC1 ZINC001046595202 1347031532 /nfs/dbraw/zinc/03/15/32/1347031532.db2.gz YCAXVYBWFNIKJZ-FQEVSTJZSA-N 1 2 343.471 3.379 20 30 EGEDLO C=C1CCC(C(=O)N[C@@]2(C)CC[N@@H+](Cc3coc(C4CC4)n3)C2)CC1 ZINC001046595202 1347031533 /nfs/dbraw/zinc/03/15/33/1347031533.db2.gz YCAXVYBWFNIKJZ-FQEVSTJZSA-N 1 2 343.471 3.379 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001046693155 1347064592 /nfs/dbraw/zinc/06/45/92/1347064592.db2.gz OZEVMRNCDHDFHX-HDMKZQKVSA-N 1 2 336.838 3.262 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001046693155 1347064593 /nfs/dbraw/zinc/06/45/93/1347064593.db2.gz OZEVMRNCDHDFHX-HDMKZQKVSA-N 1 2 336.838 3.262 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2csc(C(C)C)n2)C1 ZINC001046704036 1347068007 /nfs/dbraw/zinc/06/80/07/1347068007.db2.gz MFJGBSGEMXAOSE-OAHLLOKOSA-N 1 2 327.881 3.213 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2csc(C(C)C)n2)C1 ZINC001046704036 1347068008 /nfs/dbraw/zinc/06/80/08/1347068008.db2.gz MFJGBSGEMXAOSE-OAHLLOKOSA-N 1 2 327.881 3.213 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(Cl)cc(OC)c2)C1 ZINC001046719645 1347071907 /nfs/dbraw/zinc/07/19/07/1347071907.db2.gz NLTJAQHJBJBTLE-MRXNPFEDSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(Cl)cc(OC)c2)C1 ZINC001046719645 1347071911 /nfs/dbraw/zinc/07/19/11/1347071911.db2.gz NLTJAQHJBJBTLE-MRXNPFEDSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccnc(C(F)(F)F)c2)C1 ZINC001046746966 1347080903 /nfs/dbraw/zinc/08/09/03/1347080903.db2.gz AKLVRDAGNBRYFD-CQSZACIVSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccnc(C(F)(F)F)c2)C1 ZINC001046746966 1347080905 /nfs/dbraw/zinc/08/09/05/1347080905.db2.gz AKLVRDAGNBRYFD-CQSZACIVSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC23CCCC3)C1 ZINC001046754253 1347084673 /nfs/dbraw/zinc/08/46/73/1347084673.db2.gz OUMYWTDYZISRLR-UKRRQHHQSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC23CCCC3)C1 ZINC001046754253 1347084674 /nfs/dbraw/zinc/08/46/74/1347084674.db2.gz OUMYWTDYZISRLR-UKRRQHHQSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccccc2F)C1 ZINC001046909507 1347149245 /nfs/dbraw/zinc/14/92/45/1347149245.db2.gz YQVHBHZNXLKCSL-LBPRGKRZSA-N 1 2 346.780 3.265 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccccc2F)C1 ZINC001046909507 1347149248 /nfs/dbraw/zinc/14/92/48/1347149248.db2.gz YQVHBHZNXLKCSL-LBPRGKRZSA-N 1 2 346.780 3.265 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001046973265 1347172694 /nfs/dbraw/zinc/17/26/94/1347172694.db2.gz KKFYHNMMNJMNKZ-RBSFLKMASA-N 1 2 348.865 3.495 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001046973265 1347172696 /nfs/dbraw/zinc/17/26/96/1347172696.db2.gz KKFYHNMMNJMNKZ-RBSFLKMASA-N 1 2 348.865 3.495 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC23CCC3)C1 ZINC001046979722 1347175433 /nfs/dbraw/zinc/17/54/33/1347175433.db2.gz FMEYFDMHOANFHL-STQMWFEESA-N 1 2 332.822 3.003 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC23CCC3)C1 ZINC001046979722 1347175434 /nfs/dbraw/zinc/17/54/34/1347175434.db2.gz FMEYFDMHOANFHL-STQMWFEESA-N 1 2 332.822 3.003 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1sccc1F ZINC001079659842 1357339618 /nfs/dbraw/zinc/33/96/18/1357339618.db2.gz NPXVRRPKVRCZJM-QMTHXVAHSA-N 1 2 349.456 3.071 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1sccc1F ZINC001079659842 1357339622 /nfs/dbraw/zinc/33/96/22/1357339622.db2.gz NPXVRRPKVRCZJM-QMTHXVAHSA-N 1 2 349.456 3.071 20 30 EGEDLO C/C=C(\C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001049405544 1347828327 /nfs/dbraw/zinc/82/83/27/1347828327.db2.gz HRCZKEWGSLZZCB-JGYPDVQWSA-N 1 2 341.430 3.229 20 30 EGEDLO C/C=C(\C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001049405544 1347828330 /nfs/dbraw/zinc/82/83/30/1347828330.db2.gz HRCZKEWGSLZZCB-JGYPDVQWSA-N 1 2 341.430 3.229 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1nccn1CC ZINC001049633318 1347945140 /nfs/dbraw/zinc/94/51/40/1347945140.db2.gz JFYZUNBODOPVOE-IAGOWNOFSA-N 1 2 344.503 3.071 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1nccn1CC ZINC001049633318 1347945141 /nfs/dbraw/zinc/94/51/41/1347945141.db2.gz JFYZUNBODOPVOE-IAGOWNOFSA-N 1 2 344.503 3.071 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1coc(CCC)n1 ZINC001049841757 1348053013 /nfs/dbraw/zinc/05/30/13/1348053013.db2.gz UPFNOSAUTZUSMV-GJZGRUSLSA-N 1 2 337.851 3.059 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1coc(CCC)n1 ZINC001049841757 1348053014 /nfs/dbraw/zinc/05/30/14/1348053014.db2.gz UPFNOSAUTZUSMV-GJZGRUSLSA-N 1 2 337.851 3.059 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1coc(CCC)n1 ZINC001049841760 1348053137 /nfs/dbraw/zinc/05/31/37/1348053137.db2.gz UPFNOSAUTZUSMV-LSDHHAIUSA-N 1 2 337.851 3.059 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1coc(CCC)n1 ZINC001049841760 1348053138 /nfs/dbraw/zinc/05/31/38/1348053138.db2.gz UPFNOSAUTZUSMV-LSDHHAIUSA-N 1 2 337.851 3.059 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1sccc1OC ZINC001049853368 1348059877 /nfs/dbraw/zinc/05/98/77/1348059877.db2.gz AADZVRDBGKYFBQ-STQMWFEESA-N 1 2 340.876 3.188 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1sccc1OC ZINC001049853368 1348059878 /nfs/dbraw/zinc/05/98/78/1348059878.db2.gz AADZVRDBGKYFBQ-STQMWFEESA-N 1 2 340.876 3.188 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1scnc1Cl ZINC001049902583 1348102149 /nfs/dbraw/zinc/10/21/49/1348102149.db2.gz UHBIKDFPRXYBMP-QWRGUYRKSA-N 1 2 346.283 3.228 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1scnc1Cl ZINC001049902583 1348102150 /nfs/dbraw/zinc/10/21/50/1348102150.db2.gz UHBIKDFPRXYBMP-QWRGUYRKSA-N 1 2 346.283 3.228 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[NH+]([C@H](C)c1csnn1)CC2 ZINC001050651910 1348317204 /nfs/dbraw/zinc/31/72/04/1348317204.db2.gz WWSPRMRIDIREEN-PBHICJAKSA-N 1 2 348.516 3.126 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc(C)c1Cl ZINC001051174385 1348400353 /nfs/dbraw/zinc/40/03/53/1348400353.db2.gz IALOOEZZOZNITL-HNNXBMFYSA-N 1 2 336.863 3.045 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc(C)c1Cl ZINC001051174385 1348400355 /nfs/dbraw/zinc/40/03/55/1348400355.db2.gz IALOOEZZOZNITL-HNNXBMFYSA-N 1 2 336.863 3.045 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@H]1C[C@H](C)CC(C)(C)C1)CCO2 ZINC001053473014 1349040340 /nfs/dbraw/zinc/04/03/40/1349040340.db2.gz UESQLRVXYXYIOJ-ZWKOTPCHSA-N 1 2 348.531 3.328 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@@H](C)[C@H](CCNc3cc[nH+]c(C)n3)C2)CC1 ZINC001053504278 1349049031 /nfs/dbraw/zinc/04/90/31/1349049031.db2.gz GRHUSMULWCIKDF-CRAIPNDOSA-N 1 2 342.487 3.428 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(CC(C)C)s1)O2 ZINC001053611102 1349076273 /nfs/dbraw/zinc/07/62/73/1349076273.db2.gz JRUYYWWIGWTNCI-HNNXBMFYSA-N 1 2 348.512 3.096 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(CCCC)cc1)O2 ZINC001053626040 1349080634 /nfs/dbraw/zinc/08/06/34/1349080634.db2.gz LVLQJFOSRXPUHZ-IBGZPJMESA-N 1 2 342.483 3.178 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)C1[C@@H]3CCCCCC[C@@H]13)O2 ZINC001053668072 1349089856 /nfs/dbraw/zinc/08/98/56/1349089856.db2.gz IKYWQBDHEOMVJI-KZNAEPCWSA-N 1 2 346.515 3.129 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C)c(Cl)cc1C)CO2 ZINC001053891236 1349121870 /nfs/dbraw/zinc/12/18/70/1349121870.db2.gz QNDJMWMNGIBABW-HNNXBMFYSA-N 1 2 348.874 3.106 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C)c(C)c1Cl)CO2 ZINC001053980934 1349127657 /nfs/dbraw/zinc/12/76/57/1349127657.db2.gz URRRDEWAPTUDPC-HNNXBMFYSA-N 1 2 348.874 3.106 20 30 EGEDLO C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(C)cs1 ZINC001054040307 1349135935 /nfs/dbraw/zinc/13/59/35/1349135935.db2.gz SPRCYSGWGDBNHW-KRWDZBQOSA-N 1 2 326.465 3.399 20 30 EGEDLO C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(C)cs1 ZINC001054040307 1349135936 /nfs/dbraw/zinc/13/59/36/1349135936.db2.gz SPRCYSGWGDBNHW-KRWDZBQOSA-N 1 2 326.465 3.399 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001054041131 1349136764 /nfs/dbraw/zinc/13/67/64/1349136764.db2.gz HYBYVAUMEUVKTQ-AZUAARDMSA-N 1 2 336.479 3.133 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001054041131 1349136768 /nfs/dbraw/zinc/13/67/68/1349136768.db2.gz HYBYVAUMEUVKTQ-AZUAARDMSA-N 1 2 336.479 3.133 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@]2(CC[N@@H+]([C@H](C)c3csnn3)C2)C1 ZINC001054174804 1349176132 /nfs/dbraw/zinc/17/61/32/1349176132.db2.gz AGBHROANQOCIPM-RDTXWAMCSA-N 1 2 348.516 3.126 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@]2(CC[N@H+]([C@H](C)c3csnn3)C2)C1 ZINC001054174804 1349176134 /nfs/dbraw/zinc/17/61/34/1349176134.db2.gz AGBHROANQOCIPM-RDTXWAMCSA-N 1 2 348.516 3.126 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3conc3C3CCCC3)cc2C1 ZINC001054268503 1349267187 /nfs/dbraw/zinc/26/71/87/1349267187.db2.gz NJNTZYLUZVINQM-UHFFFAOYSA-N 1 2 349.434 3.211 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3conc3C3CCCC3)cc2C1 ZINC001054268503 1349267189 /nfs/dbraw/zinc/26/71/89/1349267189.db2.gz NJNTZYLUZVINQM-UHFFFAOYSA-N 1 2 349.434 3.211 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3c(F)cccc3Cl)cc2C1 ZINC001054290775 1349295751 /nfs/dbraw/zinc/29/57/51/1349295751.db2.gz MCLVPWOIOUUHGI-UHFFFAOYSA-N 1 2 342.801 3.358 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3c(F)cccc3Cl)cc2C1 ZINC001054290775 1349295753 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ZINC001099202812 1363689961 /nfs/dbraw/zinc/68/99/61/1363689961.db2.gz JZJUEUPFHDIILB-RDJZCZTQSA-N 1 2 338.455 3.452 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC(C)C)OC ZINC001099229433 1363702296 /nfs/dbraw/zinc/70/22/96/1363702296.db2.gz JTNRWDMGLOHONN-HZPDHXFCSA-N 1 2 344.927 3.407 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC(C)C)OC ZINC001099229433 1363702299 /nfs/dbraw/zinc/70/22/99/1363702299.db2.gz JTNRWDMGLOHONN-HZPDHXFCSA-N 1 2 344.927 3.407 20 30 EGEDLO C=C(C)CCC(=O)NCC[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001099550433 1363843461 /nfs/dbraw/zinc/84/34/61/1363843461.db2.gz RILUYDAZSQRTRM-CQSZACIVSA-N 1 2 330.476 3.327 20 30 EGEDLO C=CCCCC(=O)NCC[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001099660499 1363901866 /nfs/dbraw/zinc/90/18/66/1363901866.db2.gz SOOGEUVSZXMRLG-AWEZNQCLSA-N 1 2 330.476 3.327 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1CCCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC001100899785 1364321584 /nfs/dbraw/zinc/32/15/84/1364321584.db2.gz ZZQBQEILPSGBIY-MRXNPFEDSA-N 1 2 330.476 3.350 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001101056582 1364395007 /nfs/dbraw/zinc/39/50/07/1364395007.db2.gz UHSJFIPRNROWTF-JXFKEZNVSA-N 1 2 344.503 3.453 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)CCC(C)(C)C)c1nccn12 ZINC001101649670 1364672102 /nfs/dbraw/zinc/67/21/02/1364672102.db2.gz RZAYSZDZNWIPLZ-CVEARBPZSA-N 1 2 344.503 3.103 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](CCC)CC(C)C)c1nccn12 ZINC001101652978 1364674445 /nfs/dbraw/zinc/67/44/45/1364674445.db2.gz XJFMRTHYNYXZBS-IAGOWNOFSA-N 1 2 344.503 3.103 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N(CCC)[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102256728 1364970117 /nfs/dbraw/zinc/97/01/17/1364970117.db2.gz CTBMFTSSOSGQGX-IRXDYDNUSA-N 1 2 330.476 3.205 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N(CCC)[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102256658 1364970240 /nfs/dbraw/zinc/97/02/40/1364970240.db2.gz BRMNWWLZQJIIGF-RDJZCZTQSA-N 1 2 330.476 3.205 20 30 EGEDLO C=CC(C)(C)CC(=O)N(C)[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102734772 1365194561 /nfs/dbraw/zinc/19/45/61/1365194561.db2.gz IKTRJZOVCSLNDC-INIZCTEOSA-N 1 2 330.476 3.041 20 30 EGEDLO C=C(C)CCC(=O)N(C)[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102736443 1365196139 /nfs/dbraw/zinc/19/61/39/1365196139.db2.gz JQEDTZWBFZBPNA-INIZCTEOSA-N 1 2 328.460 3.056 20 30 EGEDLO C=C[C@H](CC)CC(=O)N(C)[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102752289 1365201970 /nfs/dbraw/zinc/20/19/70/1365201970.db2.gz DRIWJABQZSEUAH-NVXWUHKLSA-N 1 2 342.487 3.302 20 30 EGEDLO C=CCC(C)(C)C(=O)N(C)[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102767153 1365209460 /nfs/dbraw/zinc/20/94/60/1365209460.db2.gz SPAIGQRIUZQFIL-MRXNPFEDSA-N 1 2 330.476 3.041 20 30 EGEDLO C=C(C)CCC(=O)N(CC)[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102817989 1365234094 /nfs/dbraw/zinc/23/40/94/1365234094.db2.gz LVMVWOOBTSVVGI-KRWDZBQOSA-N 1 2 342.487 3.446 20 30 EGEDLO C=CC(C)(C)CC(=O)N(CC)[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102820155 1365235437 /nfs/dbraw/zinc/23/54/37/1365235437.db2.gz VXGYBRDEFBTTIK-QGZVFWFLSA-N 1 2 344.503 3.431 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H]([NH2+]Cc3ncc(C(C)C)o3)C2)CC1 ZINC001185487068 1387728712 /nfs/dbraw/zinc/72/87/12/1387728712.db2.gz RFBRIGDINRWHRB-OAHLLOKOSA-N 1 2 331.460 3.235 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CCCCN(c3cc[nH+]c(C)n3)C2)CCC1 ZINC001102884917 1365273770 /nfs/dbraw/zinc/27/37/70/1365273770.db2.gz DZLSKHPOSVAPRH-INIZCTEOSA-N 1 2 328.460 3.007 20 30 EGEDLO C=C[C@H](CC(=O)NC[C@@H](CC)Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC001103102689 1365381334 /nfs/dbraw/zinc/38/13/34/1365381334.db2.gz HFQZYHDKKIORRY-SJLPKXTDSA-N 1 2 338.455 3.452 20 30 EGEDLO C#C[C@H](C)[N@H+](C)CC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC001324694971 1387740509 /nfs/dbraw/zinc/74/05/09/1387740509.db2.gz GBHVUZLDIGGZBF-NSHDSACASA-N 1 2 332.753 3.189 20 30 EGEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC001324694971 1387740513 /nfs/dbraw/zinc/74/05/13/1387740513.db2.gz GBHVUZLDIGGZBF-NSHDSACASA-N 1 2 332.753 3.189 20 30 EGEDLO Cc1nc(NC[C@@]2(NC(=O)C#CC(C)(C)C)CCCC[C@@H]2C)cc[nH+]1 ZINC001103602374 1365667695 /nfs/dbraw/zinc/66/76/95/1365667695.db2.gz UIEOAJXJHABTNZ-YWZLYKJASA-N 1 2 342.487 3.312 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[C@@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001103616242 1365679783 /nfs/dbraw/zinc/67/97/83/1365679783.db2.gz MUMQDTQUIDPBPA-SFHVURJKSA-N 1 2 342.487 3.409 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC(CCNc2cc[nH+]c(C)n2)CC1 ZINC001103623715 1365685101 /nfs/dbraw/zinc/68/51/01/1365685101.db2.gz QACNHEQRCSWVPI-OAHLLOKOSA-N 1 2 330.476 3.428 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001103701729 1365740339 /nfs/dbraw/zinc/74/03/39/1365740339.db2.gz ZCKFFOBOAOXADA-INIZCTEOSA-N 1 2 330.476 3.110 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104161387 1365931537 /nfs/dbraw/zinc/93/15/37/1365931537.db2.gz PCPYGYFZVQDEJR-LSDHHAIUSA-N 1 2 344.503 3.430 20 30 EGEDLO C=CCOCC(=O)N(C)[C@@H](C)CNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001104496662 1366049058 /nfs/dbraw/zinc/04/90/58/1366049058.db2.gz YMTYQLGVOGVLJY-HNNXBMFYSA-N 1 2 348.491 3.185 20 30 EGEDLO CC#CCCCC(=O)N1CCC[C@H](C)[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001105097216 1366325215 /nfs/dbraw/zinc/32/52/15/1366325215.db2.gz LYOBNVJYMPXFED-RDJZCZTQSA-N 1 2 328.460 3.018 20 30 EGEDLO C=CCCC(=O)NC[C@H](Nc1nc(C)[nH+]c2c1CCCC2)C(C)C ZINC001105134787 1366341843 /nfs/dbraw/zinc/34/18/43/1366341843.db2.gz GYWSCOSEHCLQDX-KRWDZBQOSA-N 1 2 330.476 3.183 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H](Nc1nc(C)[nH+]c2c1CCCC2)C(C)C ZINC001105255852 1366392392 /nfs/dbraw/zinc/39/23/92/1366392392.db2.gz JZAVFXVQHMQSLR-QGZVFWFLSA-N 1 2 344.503 3.429 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N(C)CCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001105528639 1366512372 /nfs/dbraw/zinc/51/23/72/1366512372.db2.gz RMGWMUXOYXEJNB-ZBFHGGJFSA-N 1 2 332.492 3.261 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]2[C@H](CCN2c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001105620947 1366549454 /nfs/dbraw/zinc/54/94/54/1366549454.db2.gz NIWJWRIIWATQNO-IAGOWNOFSA-N 1 2 340.471 3.056 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2[C@@H](CCN2c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001105620949 1366549617 /nfs/dbraw/zinc/54/96/17/1366549617.db2.gz NIWJWRIIWATQNO-IRXDYDNUSA-N 1 2 340.471 3.056 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]2[C@H](CCN2c2nc(C)[nH+]c(C)c2C)C1 ZINC001105629015 1366551890 /nfs/dbraw/zinc/55/18/90/1366551890.db2.gz RBXQUOASISXNPI-QZTJIDSGSA-N 1 2 342.487 3.185 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CCC[C@@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001105652120 1366560352 /nfs/dbraw/zinc/56/03/52/1366560352.db2.gz PZPKOXSJVOBZPO-IAGOWNOFSA-N 1 2 340.471 3.163 20 30 EGEDLO C=CCOCCCC(=O)N[C@H](C)CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001106294811 1366645378 /nfs/dbraw/zinc/64/53/78/1366645378.db2.gz UZHZQHSEPRAGRW-OAHLLOKOSA-N 1 2 348.491 3.198 20 30 EGEDLO CC#CCCCC(=O)N[C@H](C)CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001106528268 1366723341 /nfs/dbraw/zinc/72/33/41/1366723341.db2.gz BYNOAGPRQZNYDE-OAHLLOKOSA-N 1 2 330.476 3.409 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC/C=C/CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107463559 1366973747 /nfs/dbraw/zinc/97/37/47/1366973747.db2.gz LMSPDUXJALWMIT-VOTSOKGWSA-N 1 2 328.460 3.349 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nncs1)CC2 ZINC001107533858 1367024805 /nfs/dbraw/zinc/02/48/05/1367024805.db2.gz JRYVMSZNFYWLEE-FHLIZLRMSA-N 1 2 348.516 3.001 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nncs1)CC2 ZINC001107533858 1367024810 /nfs/dbraw/zinc/02/48/10/1367024810.db2.gz JRYVMSZNFYWLEE-FHLIZLRMSA-N 1 2 348.516 3.001 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC001109348695 1367078127 /nfs/dbraw/zinc/07/81/27/1367078127.db2.gz JLFFCBJQZWPCKA-HOTGVXAUSA-N 1 2 330.476 3.474 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109350915 1367081981 /nfs/dbraw/zinc/08/19/81/1367081981.db2.gz JBRHCNUNQYMXFD-NEWSRXKRSA-N 1 2 341.430 3.275 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109350915 1367081987 /nfs/dbraw/zinc/08/19/87/1367081987.db2.gz JBRHCNUNQYMXFD-NEWSRXKRSA-N 1 2 341.430 3.275 20 30 EGEDLO CCCCc1nc(C[N@H+](C)[C@@H]2CCN(C(=O)C#CC(C)C)C2)cs1 ZINC001190004194 1367149535 /nfs/dbraw/zinc/14/95/35/1367149535.db2.gz NXPRMAIFSASVPF-QGZVFWFLSA-N 1 2 347.528 3.178 20 30 EGEDLO CCCCc1nc(C[N@@H+](C)[C@@H]2CCN(C(=O)C#CC(C)C)C2)cs1 ZINC001190004194 1367149540 /nfs/dbraw/zinc/14/95/40/1367149540.db2.gz NXPRMAIFSASVPF-QGZVFWFLSA-N 1 2 347.528 3.178 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cccc(OC)c1)C2 ZINC001109516462 1367171709 /nfs/dbraw/zinc/17/17/09/1367171709.db2.gz FILXBDLAZLXZMR-NJAFHUGGSA-N 1 2 348.874 3.102 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cccc(OC)c1)C2 ZINC001109516462 1367171710 /nfs/dbraw/zinc/17/17/10/1367171710.db2.gz FILXBDLAZLXZMR-NJAFHUGGSA-N 1 2 348.874 3.102 20 30 EGEDLO CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001190271426 1367213385 /nfs/dbraw/zinc/21/33/85/1367213385.db2.gz YGFALZNYRBPQFM-CHWSQXEVSA-N 1 2 326.378 3.390 20 30 EGEDLO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001190271426 1367213386 /nfs/dbraw/zinc/21/33/86/1367213386.db2.gz YGFALZNYRBPQFM-CHWSQXEVSA-N 1 2 326.378 3.390 20 30 EGEDLO CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001190271426 1367213389 /nfs/dbraw/zinc/21/33/89/1367213389.db2.gz YGFALZNYRBPQFM-CHWSQXEVSA-N 1 2 326.378 3.390 20 30 EGEDLO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001190271426 1367213392 /nfs/dbraw/zinc/21/33/92/1367213392.db2.gz YGFALZNYRBPQFM-CHWSQXEVSA-N 1 2 326.378 3.390 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001109633204 1367252184 /nfs/dbraw/zinc/25/21/84/1367252184.db2.gz RYFDKWFIVAIIJC-UKMLZYKCSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001109633204 1367252187 /nfs/dbraw/zinc/25/21/87/1367252187.db2.gz RYFDKWFIVAIIJC-UKMLZYKCSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001109634423 1367252792 /nfs/dbraw/zinc/25/27/92/1367252792.db2.gz MDUGGAAUVYFVST-NBMRYCAZSA-N 1 2 331.435 3.045 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1 ZINC001109634423 1367252798 /nfs/dbraw/zinc/25/27/98/1367252798.db2.gz MDUGGAAUVYFVST-NBMRYCAZSA-N 1 2 331.435 3.045 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109769483 1367311879 /nfs/dbraw/zinc/31/18/79/1367311879.db2.gz FLVRMLACAIDNSV-QYZOEREBSA-N 1 2 337.467 3.382 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109769483 1367311885 /nfs/dbraw/zinc/31/18/85/1367311885.db2.gz FLVRMLACAIDNSV-QYZOEREBSA-N 1 2 337.467 3.382 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H](CNc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001109915555 1367402234 /nfs/dbraw/zinc/40/22/34/1367402234.db2.gz GQPQIJAWLLNPNF-INIZCTEOSA-N 1 2 328.460 3.325 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC001108364781 1367414226 /nfs/dbraw/zinc/41/42/26/1367414226.db2.gz TYPURMZMYACSEL-MRXNPFEDSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC001108364781 1367414230 /nfs/dbraw/zinc/41/42/30/1367414230.db2.gz TYPURMZMYACSEL-MRXNPFEDSA-N 1 2 343.254 3.000 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C)s2)C1 ZINC001191754006 1367576888 /nfs/dbraw/zinc/57/68/88/1367576888.db2.gz IXDYZCOMDXRTKO-INIZCTEOSA-N 1 2 333.501 3.068 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C)s2)C1 ZINC001191754006 1367576896 /nfs/dbraw/zinc/57/68/96/1367576896.db2.gz IXDYZCOMDXRTKO-INIZCTEOSA-N 1 2 333.501 3.068 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC1(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001110303089 1367624061 /nfs/dbraw/zinc/62/40/61/1367624061.db2.gz CESQULXEFTZZDA-ZIAGYGMSSA-N 1 2 342.487 3.183 20 30 EGEDLO N#Cc1ccc(C(=O)NCc2c[nH+]cn2C2CCC2)c(C(F)(F)F)c1 ZINC001192122799 1367693422 /nfs/dbraw/zinc/69/34/22/1367693422.db2.gz XNXDMHVISSHVGG-UHFFFAOYSA-N 1 2 348.328 3.429 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H]([N@@H+](C)[C@@H](C)c3ncc(C)o3)C2)CC1 ZINC001192205386 1367716621 /nfs/dbraw/zinc/71/66/21/1367716621.db2.gz FIVVWSSTHXTHPS-JKSUJKDBSA-N 1 2 331.460 3.323 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H]([N@H+](C)[C@@H](C)c3ncc(C)o3)C2)CC1 ZINC001192205386 1367716629 /nfs/dbraw/zinc/71/66/29/1367716629.db2.gz FIVVWSSTHXTHPS-JKSUJKDBSA-N 1 2 331.460 3.323 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110447524 1367730891 /nfs/dbraw/zinc/73/08/91/1367730891.db2.gz HZCHXJCJBJQFGP-OIISXLGYSA-N 1 2 345.393 3.182 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110447524 1367730894 /nfs/dbraw/zinc/73/08/94/1367730894.db2.gz HZCHXJCJBJQFGP-OIISXLGYSA-N 1 2 345.393 3.182 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]2CCN(c3nc(C)[nH+]c(C)c3C)[C@H]2C1 ZINC001110494064 1367781491 /nfs/dbraw/zinc/78/14/91/1367781491.db2.gz GXQZPHKIXULGEM-MSOLQXFVSA-N 1 2 342.487 3.185 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C[C@@H]1C ZINC001110519874 1367799354 /nfs/dbraw/zinc/79/93/54/1367799354.db2.gz FORRZVAXKDEXKQ-WMLDXEAASA-N 1 2 328.460 3.345 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1ncc(C)o1 ZINC001110603483 1367864762 /nfs/dbraw/zinc/86/47/62/1367864762.db2.gz GGZIUGNTTINFBV-JJXSEGSLSA-N 1 2 331.460 3.368 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1ncc(C)o1 ZINC001110603483 1367864765 /nfs/dbraw/zinc/86/47/65/1367864765.db2.gz GGZIUGNTTINFBV-JJXSEGSLSA-N 1 2 331.460 3.368 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C1CCCC1 ZINC001110675663 1367916265 /nfs/dbraw/zinc/91/62/65/1367916265.db2.gz DWEJSXMMCQGVQL-RDJZCZTQSA-N 1 2 330.476 3.474 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)CCC2(C)CC2)C1 ZINC001193258097 1367982379 /nfs/dbraw/zinc/98/23/79/1367982379.db2.gz QQBOMLNLJIHGPH-ZDUSSCGKSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)CCC2(C)CC2)C1 ZINC001193258097 1367982383 /nfs/dbraw/zinc/98/23/83/1367982383.db2.gz QQBOMLNLJIHGPH-ZDUSSCGKSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCC1(C)CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110890371 1368063977 /nfs/dbraw/zinc/06/39/77/1368063977.db2.gz OHKBWIHIIJPLGO-INIZCTEOSA-N 1 2 330.476 3.110 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)c(C)o1 ZINC001110899510 1368073713 /nfs/dbraw/zinc/07/37/13/1368073713.db2.gz FRRVVQPWHVHGPZ-KURKYZTESA-N 1 2 343.471 3.097 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)c(C)o1 ZINC001110899510 1368073720 /nfs/dbraw/zinc/07/37/20/1368073720.db2.gz FRRVVQPWHVHGPZ-KURKYZTESA-N 1 2 343.471 3.097 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2cnnn2CC)C1 ZINC001193631587 1368079858 /nfs/dbraw/zinc/07/98/58/1368079858.db2.gz ZXJXDIBUNMTHQO-QGZVFWFLSA-N 1 2 349.523 3.081 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cnnn2CC)C1 ZINC001193631587 1368079864 /nfs/dbraw/zinc/07/98/64/1368079864.db2.gz ZXJXDIBUNMTHQO-QGZVFWFLSA-N 1 2 349.523 3.081 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC001110954527 1368121515 /nfs/dbraw/zinc/12/15/15/1368121515.db2.gz WHILJYJPOPQSEG-VQIMIIECSA-N 1 2 330.476 3.110 20 30 EGEDLO CCCCCCCCC(=O)N1C[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]2C1 ZINC001111296182 1368256655 /nfs/dbraw/zinc/25/66/55/1368256655.db2.gz ZNVGPIAAUYOQNF-HDICACEKSA-N 1 2 344.503 3.430 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)[C@H](C)c3ncccn3)C2)CCCC1 ZINC001194556448 1368286107 /nfs/dbraw/zinc/28/61/07/1368286107.db2.gz WHPCISQGZRISCT-IAGOWNOFSA-N 1 2 342.487 3.207 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)[C@H](C)c3ncccn3)C2)CCCC1 ZINC001194556448 1368286113 /nfs/dbraw/zinc/28/61/13/1368286113.db2.gz WHPCISQGZRISCT-IAGOWNOFSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1nc(C)[nH+]c(C)c1C ZINC001111393711 1368289769 /nfs/dbraw/zinc/28/97/69/1368289769.db2.gz XGVYDKVMFAMKKP-QZTJIDSGSA-N 1 2 342.487 3.328 20 30 EGEDLO C=C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl)c1ccccc1 ZINC001111443279 1368308940 /nfs/dbraw/zinc/30/89/40/1368308940.db2.gz FTYFHTHQYLYKMN-TVFCKZIOSA-N 1 2 330.859 3.430 20 30 EGEDLO C=C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl)c1ccccc1 ZINC001111443279 1368308945 /nfs/dbraw/zinc/30/89/45/1368308945.db2.gz FTYFHTHQYLYKMN-TVFCKZIOSA-N 1 2 330.859 3.430 20 30 EGEDLO CCCCCCCCCOC(=O)NCC1([NH+]2CCCC2)COC1 ZINC001194919953 1368347521 /nfs/dbraw/zinc/34/75/21/1368347521.db2.gz OHDWOBJPAKYPLI-UHFFFAOYSA-N 1 2 326.481 3.328 20 30 EGEDLO C#CCCCC(=O)N1CC[C@H](CCNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001111606744 1368368674 /nfs/dbraw/zinc/36/86/74/1368368674.db2.gz IVVZOOXDJAEGSL-KRWDZBQOSA-N 1 2 342.487 3.362 20 30 EGEDLO Cc1cc(NC[C@H]2CC[C@H](NC(=O)[C@H](C)C#N)CC2)nc(C(C)C)[nH+]1 ZINC001111640089 1368403438 /nfs/dbraw/zinc/40/34/38/1368403438.db2.gz SCRKOQNSJDZRRE-FVQBIDKESA-N 1 2 343.475 3.155 20 30 EGEDLO C#CCCCCC(=O)N1CCC[N@@H+](Cc2cc(F)cc(F)c2)CC1 ZINC001195540562 1368451597 /nfs/dbraw/zinc/45/15/97/1368451597.db2.gz CZWAXOIHIQZJOU-UHFFFAOYSA-N 1 2 334.410 3.193 20 30 EGEDLO C#CCCCCC(=O)N1CCC[N@H+](Cc2cc(F)cc(F)c2)CC1 ZINC001195540562 1368451599 /nfs/dbraw/zinc/45/15/99/1368451599.db2.gz CZWAXOIHIQZJOU-UHFFFAOYSA-N 1 2 334.410 3.193 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)CC1 ZINC001195645251 1368463948 /nfs/dbraw/zinc/46/39/48/1368463948.db2.gz MCRJLXKXJPVZHR-UHFFFAOYSA-N 1 2 336.838 3.317 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@H+](Cc2ccc(F)c(Cl)c2)CC1 ZINC001195645251 1368463951 /nfs/dbraw/zinc/46/39/51/1368463951.db2.gz MCRJLXKXJPVZHR-UHFFFAOYSA-N 1 2 336.838 3.317 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC001195645364 1368464624 /nfs/dbraw/zinc/46/46/24/1368464624.db2.gz QLZRCCIMORIDPI-UHFFFAOYSA-N 1 2 342.870 3.029 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC001195645364 1368464629 /nfs/dbraw/zinc/46/46/29/1368464629.db2.gz QLZRCCIMORIDPI-UHFFFAOYSA-N 1 2 342.870 3.029 20 30 EGEDLO Cc1cc(NC2(CNC(=O)C#CC(C)(C)C)CCC2)nc(C2CC2)[nH+]1 ZINC001111800700 1368467787 /nfs/dbraw/zinc/46/77/87/1368467787.db2.gz JSLRQZHKXGVYCD-UHFFFAOYSA-N 1 2 340.471 3.163 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001112010885 1368614480 /nfs/dbraw/zinc/61/44/80/1368614480.db2.gz WASSRHXGHWCVJM-FXAWDEMLSA-N 1 2 344.503 3.479 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001112013461 1368617449 /nfs/dbraw/zinc/61/74/49/1368617449.db2.gz IXHGOVRQQCHPQA-KRWDZBQOSA-N 1 2 344.503 3.479 20 30 EGEDLO CC#CCCCC(=O)N1CCC[N@@H+](Cc2cc(F)ccc2OC)CC1 ZINC001196846869 1368696765 /nfs/dbraw/zinc/69/67/65/1368696765.db2.gz NKDFVLHRJXRKCS-UHFFFAOYSA-N 1 2 346.446 3.062 20 30 EGEDLO CC#CCCCC(=O)N1CCC[N@H+](Cc2cc(F)ccc2OC)CC1 ZINC001196846869 1368696770 /nfs/dbraw/zinc/69/67/70/1368696770.db2.gz NKDFVLHRJXRKCS-UHFFFAOYSA-N 1 2 346.446 3.062 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2cccc(F)c2F)CC1 ZINC001196853210 1368699125 /nfs/dbraw/zinc/69/91/25/1368699125.db2.gz HSKGDKFRSNNIQP-GJZGRUSLSA-N 1 2 336.426 3.457 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2cccc(F)c2F)CC1 ZINC001196853210 1368699128 /nfs/dbraw/zinc/69/91/28/1368699128.db2.gz HSKGDKFRSNNIQP-GJZGRUSLSA-N 1 2 336.426 3.457 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001196853839 1368699909 /nfs/dbraw/zinc/69/99/09/1368699909.db2.gz MGCSMSRNETUDOH-QZTJIDSGSA-N 1 2 342.458 3.170 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001196853839 1368699914 /nfs/dbraw/zinc/69/99/14/1368699914.db2.gz MGCSMSRNETUDOH-QZTJIDSGSA-N 1 2 342.458 3.170 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@]2(CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001112219665 1368728766 /nfs/dbraw/zinc/72/87/66/1368728766.db2.gz WKFHUKWKWHYPES-OXQOHEQNSA-N 1 2 342.487 3.206 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@@H](C)C1 ZINC001112325025 1368766689 /nfs/dbraw/zinc/76/66/89/1368766689.db2.gz GHOREMFLXIVWGP-BBRMVZONSA-N 1 2 328.460 3.278 20 30 EGEDLO CC#CCCCC(=O)N1C[C@@H](C)[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001112333768 1368771738 /nfs/dbraw/zinc/77/17/38/1368771738.db2.gz LDIMGHXVMZMUKZ-PBHICJAKSA-N 1 2 340.471 3.115 20 30 EGEDLO CCC[C@H](CC)C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001197597314 1368849460 /nfs/dbraw/zinc/84/94/60/1368849460.db2.gz OCZKYJNCDXVHMC-HNNXBMFYSA-N 1 2 333.501 3.480 20 30 EGEDLO CCC[C@H](CC)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001197597314 1368849467 /nfs/dbraw/zinc/84/94/67/1368849467.db2.gz OCZKYJNCDXVHMC-HNNXBMFYSA-N 1 2 333.501 3.480 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@H](C)C1 ZINC001112486658 1368883492 /nfs/dbraw/zinc/88/34/92/1368883492.db2.gz BDOFXNSUPYYCNA-NVXWUHKLSA-N 1 2 342.487 3.492 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N(C)[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001112631641 1368961552 /nfs/dbraw/zinc/96/15/52/1368961552.db2.gz HNYLLHSBYPPCNB-NVXWUHKLSA-N 1 2 330.476 3.205 20 30 EGEDLO C=CCC1(C(=O)N(C)[C@H]2CCCN(c3cc[nH+]c(C)n3)CC2)CCC1 ZINC001112633565 1368964227 /nfs/dbraw/zinc/96/42/27/1368964227.db2.gz NHAVGCVLJPWUQV-KRWDZBQOSA-N 1 2 342.487 3.349 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(CCC)cc2)CC1 ZINC001112676573 1368976026 /nfs/dbraw/zinc/97/60/26/1368976026.db2.gz QANGELJVFQYCQN-SFHVURJKSA-N 1 2 344.499 3.265 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC(CN(CC)c2cc[nH+]c(C)n2)CC1 ZINC001112687008 1368980985 /nfs/dbraw/zinc/98/09/85/1368980985.db2.gz NRYGASCJBJBIAV-UHFFFAOYSA-N 1 2 344.503 3.452 20 30 EGEDLO Cc1nc(N[C@@H]2c3ccccc3C[C@H]2NC(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001112776404 1368997119 /nfs/dbraw/zinc/99/71/19/1368997119.db2.gz UFOFLORQFVQPRZ-YLJYHZDGSA-N 1 2 348.450 3.029 20 30 EGEDLO C#CC[C@H](CC(=O)N1CCC[N@@H+](CC(=C)Cl)CC1)c1ccccc1 ZINC001198395153 1369022100 /nfs/dbraw/zinc/02/21/00/1369022100.db2.gz UKFBMVUVAKHYCL-LJQANCHMSA-N 1 2 344.886 3.470 20 30 EGEDLO C#CC[C@H](CC(=O)N1CCC[N@H+](CC(=C)Cl)CC1)c1ccccc1 ZINC001198395153 1369022106 /nfs/dbraw/zinc/02/21/06/1369022106.db2.gz UKFBMVUVAKHYCL-LJQANCHMSA-N 1 2 344.886 3.470 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@@H+]([C@@H](C)c3cnccn3)CC2)CCCC1 ZINC001198422531 1369028833 /nfs/dbraw/zinc/02/88/33/1369028833.db2.gz APACVEGTLFNTFA-KRWDZBQOSA-N 1 2 342.487 3.208 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@H+]([C@@H](C)c3cnccn3)CC2)CCCC1 ZINC001198422531 1369028835 /nfs/dbraw/zinc/02/88/35/1369028835.db2.gz APACVEGTLFNTFA-KRWDZBQOSA-N 1 2 342.487 3.208 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)C(F)=C(C)C)c1ccccc1OC ZINC001198656677 1369084118 /nfs/dbraw/zinc/08/41/18/1369084118.db2.gz NOCSHEKGPOOGFM-CQSZACIVSA-N 1 2 340.826 3.458 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CC1(C)C)c1ccccc1OC ZINC001198669296 1369087256 /nfs/dbraw/zinc/08/72/56/1369087256.db2.gz YXSBOEDMIBKAMI-CABCVRRESA-N 1 2 336.863 3.241 20 30 EGEDLO C=CCOCC(=O)N[C@@H](C)[C@@H](C)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001112922984 1369091211 /nfs/dbraw/zinc/09/12/11/1369091211.db2.gz CGHPEIMONFEEGW-CABCVRRESA-N 1 2 348.491 3.231 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)C#CC(C)(C)C)c1ccccc1OC ZINC001198723782 1369099652 /nfs/dbraw/zinc/09/96/52/1369099652.db2.gz KONXCXDZDXQFQO-INIZCTEOSA-N 1 2 348.874 3.244 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)c1cc(C)co1)c1ccccc1OC ZINC001198857640 1369132241 /nfs/dbraw/zinc/13/22/41/1369132241.db2.gz UELPPLXIXFMZAM-OAHLLOKOSA-N 1 2 348.830 3.410 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC001113158837 1369233996 /nfs/dbraw/zinc/23/39/96/1369233996.db2.gz NKKUROMYNMSBLZ-OXQOHEQNSA-N 1 2 348.462 3.260 20 30 EGEDLO CC#CCCCC(=O)N1CC[NH+](Cc2c(C)cccc2Cl)CC1 ZINC001113232104 1369280633 /nfs/dbraw/zinc/28/06/33/1369280633.db2.gz DMMHPCHUZDMFCW-UHFFFAOYSA-N 1 2 332.875 3.486 20 30 EGEDLO CC#CCCCC(=O)N1CC[NH+](CCCc2c(F)cccc2F)CC1 ZINC001113232504 1369280694 /nfs/dbraw/zinc/28/06/94/1369280694.db2.gz RVYWCUCPZMYIPZ-UHFFFAOYSA-N 1 2 348.437 3.235 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](CCOC2CCCCCC2)CC1 ZINC001113243468 1369288532 /nfs/dbraw/zinc/28/85/32/1369288532.db2.gz IPVPCLQHSSLENI-SFHVURJKSA-N 1 2 336.520 3.472 20 30 EGEDLO C=CCCCC(=O)N1CC[NH+](CCOc2cccc(CC)c2)CC1 ZINC001113283610 1369316679 /nfs/dbraw/zinc/31/66/79/1369316679.db2.gz OLRQSCUTYCBOID-UHFFFAOYSA-N 1 2 330.472 3.128 20 30 EGEDLO C=CCCC1(C(=O)N2CC[NH+](CCO[C@H]3CCCC[C@H]3C)CC2)CC1 ZINC001113305514 1369333866 /nfs/dbraw/zinc/33/38/66/1369333866.db2.gz SVWNWHJIFABMIK-MOPGFXCFSA-N 1 2 348.531 3.472 20 30 EGEDLO C=CCCC1(C(=O)N2CC[NH+](CC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC001113312789 1369339658 /nfs/dbraw/zinc/33/96/58/1369339658.db2.gz OXJVTYWGSKKJEX-AWEZNQCLSA-N 1 2 345.314 3.461 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H](C)N(C)c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001113863208 1369638505 /nfs/dbraw/zinc/63/85/05/1369638505.db2.gz RNGZZYCJSWGGSK-OAHLLOKOSA-N 1 2 330.476 3.206 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001113895413 1369649481 /nfs/dbraw/zinc/64/94/81/1369649481.db2.gz CIXUXWWLKDGUDH-HNNXBMFYSA-N 1 2 332.492 3.452 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)CC[C@H]1C ZINC001114039061 1369696861 /nfs/dbraw/zinc/69/68/61/1369696861.db2.gz BFWRRSSSQRVZFJ-CXAGYDPISA-N 1 2 344.503 3.335 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)CC[C@H]1C ZINC001114052202 1369705105 /nfs/dbraw/zinc/70/51/05/1369705105.db2.gz IOKHRNUYANVRKI-RHSMWYFYSA-N 1 2 342.487 3.350 20 30 EGEDLO CCC(C)(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114323293 1369883769 /nfs/dbraw/zinc/88/37/69/1369883769.db2.gz BOAGHKYLZLTABR-DZFIZOCASA-N 1 2 343.446 3.070 20 30 EGEDLO CCC(C)(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114323293 1369883773 /nfs/dbraw/zinc/88/37/73/1369883773.db2.gz BOAGHKYLZLTABR-DZFIZOCASA-N 1 2 343.446 3.070 20 30 EGEDLO Cc1cc(NCCC[C@@H](C)NC(=O)C#CC(C)C)nc(C(C)C)[nH+]1 ZINC001114926652 1370155693 /nfs/dbraw/zinc/15/56/93/1370155693.db2.gz YXKOPNHXECRNCB-OAHLLOKOSA-N 1 2 330.476 3.265 20 30 EGEDLO C=CC1(CC(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4coc(C)n4)C[C@H]32)CCCCC1 ZINC001114965871 1370181744 /nfs/dbraw/zinc/18/17/44/1370181744.db2.gz SLHLPUSJJDZNHU-DZFIZOCASA-N 1 2 343.471 3.056 20 30 EGEDLO C=CC1(CC(=O)N[C@@H]2[C@H]3C[N@H+](Cc4coc(C)n4)C[C@H]32)CCCCC1 ZINC001114965871 1370181746 /nfs/dbraw/zinc/18/17/46/1370181746.db2.gz SLHLPUSJJDZNHU-DZFIZOCASA-N 1 2 343.471 3.056 20 30 EGEDLO Cc1cc(NC[C@H](C2CC2)N(C)C(=O)C#CC(C)C)nc(C(C)C)[nH+]1 ZINC001115517917 1370516640 /nfs/dbraw/zinc/51/66/40/1370516640.db2.gz XDPIBKUXQGMSMR-QGZVFWFLSA-N 1 2 342.487 3.217 20 30 EGEDLO COc1cc(NC(C)=O)ccc1C(=O)/C=C\c1ccc[nH+]c1N(C)C ZINC001117350796 1371038440 /nfs/dbraw/zinc/03/84/40/1371038440.db2.gz LUWGHAIXBYWWOP-YFHOEESVSA-N 1 2 339.395 3.011 20 30 EGEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2cc(Cl)ccc2Cl)C[C@H]1C ZINC001206659092 1371124304 /nfs/dbraw/zinc/12/43/04/1371124304.db2.gz CRYLRKJAGHBMGK-FIXISWKDSA-N 1 2 340.254 3.090 20 30 EGEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2Cl)C[C@H]1C ZINC001206659092 1371124307 /nfs/dbraw/zinc/12/43/07/1371124307.db2.gz CRYLRKJAGHBMGK-FIXISWKDSA-N 1 2 340.254 3.090 20 30 EGEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2c(Cl)cccc2Cl)C[C@H]1C ZINC001206662254 1371125522 /nfs/dbraw/zinc/12/55/22/1371125522.db2.gz FMKZFAPUIRZXMR-UEKVPHQBSA-N 1 2 340.254 3.090 20 30 EGEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2c(Cl)cccc2Cl)C[C@H]1C ZINC001206662254 1371125523 /nfs/dbraw/zinc/12/55/23/1371125523.db2.gz FMKZFAPUIRZXMR-UEKVPHQBSA-N 1 2 340.254 3.090 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(C)(C)C2CC2)C1 ZINC001206936924 1371233648 /nfs/dbraw/zinc/23/36/48/1371233648.db2.gz CKUMCDYBVKFOEN-BXUZGUMPSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC(C)(C)C2CC2)C1 ZINC001206936924 1371233653 /nfs/dbraw/zinc/23/36/53/1371233653.db2.gz CKUMCDYBVKFOEN-BXUZGUMPSA-N 1 2 343.309 3.158 20 30 EGEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2ncccc2F)CC1 ZINC001207034209 1371273626 /nfs/dbraw/zinc/27/36/26/1371273626.db2.gz OEYHCSBGPKAZHR-UHFFFAOYSA-N 1 2 341.386 3.144 20 30 EGEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC001119312994 1371306223 /nfs/dbraw/zinc/30/62/23/1371306223.db2.gz PEHVDOORSODDCE-JTQLQIEISA-N 1 2 333.741 3.127 20 30 EGEDLO CC[C@H](CO)Nc1cc(N[C@@H]2CCCc3cc(C#N)ccc32)nc[nH+]1 ZINC001119968518 1371435613 /nfs/dbraw/zinc/43/56/13/1371435613.db2.gz ZKDKHVCGUZOMDN-NVXWUHKLSA-N 1 2 337.427 3.021 20 30 EGEDLO CC[C@H](CO)Nc1cc(N[C@@H]2CCCc3cc(C#N)ccc32)[nH+]cn1 ZINC001119968518 1371435616 /nfs/dbraw/zinc/43/56/16/1371435616.db2.gz ZKDKHVCGUZOMDN-NVXWUHKLSA-N 1 2 337.427 3.021 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](Cc2csc(CCC)n2)C[C@H]1C ZINC001208371186 1371739805 /nfs/dbraw/zinc/73/98/05/1371739805.db2.gz JFQGPHFDNYOEHJ-NVXWUHKLSA-N 1 2 347.528 3.226 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2csc(CCC)n2)C[C@H]1C ZINC001208371186 1371739809 /nfs/dbraw/zinc/73/98/09/1371739809.db2.gz JFQGPHFDNYOEHJ-NVXWUHKLSA-N 1 2 347.528 3.226 20 30 EGEDLO CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)CCC1 ZINC001208376612 1371743177 /nfs/dbraw/zinc/74/31/77/1371743177.db2.gz MFFLRGFNFKOUAY-RDTXWAMCSA-N 1 2 343.446 3.214 20 30 EGEDLO CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)CCC1 ZINC001208376612 1371743181 /nfs/dbraw/zinc/74/31/81/1371743181.db2.gz MFFLRGFNFKOUAY-RDTXWAMCSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001208385180 1371746000 /nfs/dbraw/zinc/74/60/00/1371746000.db2.gz SWQBGBCPGURRPX-IIAWOOMASA-N 1 2 335.879 3.274 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001208385180 1371746005 /nfs/dbraw/zinc/74/60/05/1371746005.db2.gz SWQBGBCPGURRPX-IIAWOOMASA-N 1 2 335.879 3.274 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001208392977 1371750559 /nfs/dbraw/zinc/75/05/59/1371750559.db2.gz HQHHBYJIKJOJDG-IIAWOOMASA-N 1 2 335.879 3.274 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001208392977 1371750562 /nfs/dbraw/zinc/75/05/62/1371750562.db2.gz HQHHBYJIKJOJDG-IIAWOOMASA-N 1 2 335.879 3.274 20 30 EGEDLO COc1ccc(CC[N@H+](CCC#N)Cc2cccnc2)cc1OC ZINC001208750315 1371883573 /nfs/dbraw/zinc/88/35/73/1371883573.db2.gz HCTBPHBRMAJCKZ-UHFFFAOYSA-N 1 2 325.412 3.057 20 30 EGEDLO COc1ccc(CC[N@@H+](CCC#N)Cc2cccnc2)cc1OC ZINC001208750315 1371883576 /nfs/dbraw/zinc/88/35/76/1371883576.db2.gz HCTBPHBRMAJCKZ-UHFFFAOYSA-N 1 2 325.412 3.057 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)Cc2ccccc2)C1 ZINC001209030990 1371979232 /nfs/dbraw/zinc/97/92/32/1371979232.db2.gz YBJJOAOEZCMOKV-ZTFGCOKTSA-N 1 2 334.891 3.444 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)Cc2ccccc2)C1 ZINC001209030990 1371979236 /nfs/dbraw/zinc/97/92/36/1371979236.db2.gz YBJJOAOEZCMOKV-ZTFGCOKTSA-N 1 2 334.891 3.444 20 30 EGEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCCC[C@@H](SC)C1 ZINC001121519404 1371997226 /nfs/dbraw/zinc/99/72/26/1371997226.db2.gz OIDAFXNVINEERZ-MRXNPFEDSA-N 1 2 349.548 3.172 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2nc(CCCC)no2)C1 ZINC001209146755 1372014112 /nfs/dbraw/zinc/01/41/12/1372014112.db2.gz QJDKHJRXYJVGCR-CVEARBPZSA-N 1 2 348.491 3.095 20 30 EGEDLO CC[C@H]1C[C@H](C)CN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CC ZINC001121712294 1372055562 /nfs/dbraw/zinc/05/55/62/1372055562.db2.gz MIRABCDDMCFPHJ-RDJZCZTQSA-N 1 2 344.507 3.016 20 30 EGEDLO C=CC1(CC(=O)N[C@@H]2C[N@@H+](Cc3cnns3)C[C@H]2C)CCCCC1 ZINC001209406470 1372096534 /nfs/dbraw/zinc/09/65/34/1372096534.db2.gz MVHZGRVCCBTSPH-GDBMZVCRSA-N 1 2 348.516 3.001 20 30 EGEDLO C=CC1(CC(=O)N[C@@H]2C[N@H+](Cc3cnns3)C[C@H]2C)CCCCC1 ZINC001209406470 1372096544 /nfs/dbraw/zinc/09/65/44/1372096544.db2.gz MVHZGRVCCBTSPH-GDBMZVCRSA-N 1 2 348.516 3.001 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@@H]([NH2+]Cc3nnc(C(C)C)o3)C2)CCC1 ZINC001209503217 1372122363 /nfs/dbraw/zinc/12/23/63/1372122363.db2.gz HBXRXQMOWINDBG-OAHLLOKOSA-N 1 2 346.475 3.020 20 30 EGEDLO C#CC[C@H](NC(=O)N1CCC(c2c[nH+]cn2C)CC1)c1ccccc1 ZINC001121981133 1372143209 /nfs/dbraw/zinc/14/32/09/1372143209.db2.gz HWJSCSGULRHANK-SFHVURJKSA-N 1 2 336.439 3.074 20 30 EGEDLO N#Cc1cnc(Nc2ccccc2C[NH+]2CCOCC2)c(Cl)c1 ZINC001209925036 1372232218 /nfs/dbraw/zinc/23/22/18/1372232218.db2.gz KTCJPFQHOURGNQ-UHFFFAOYSA-N 1 2 328.803 3.182 20 30 EGEDLO N#Cc1ccc(Nc2ccccc2C[NH+]2CCOCC2)c(F)c1F ZINC001209930808 1372233703 /nfs/dbraw/zinc/23/37/03/1372233703.db2.gz QUOCBGBIEXKDMR-UHFFFAOYSA-N 1 2 329.350 3.412 20 30 EGEDLO C=CC1(CC(=O)N2CCC[C@@H]([NH2+]Cc3cnsn3)C2)CCCCC1 ZINC001210106449 1372272271 /nfs/dbraw/zinc/27/22/71/1372272271.db2.gz JDPMEPDJEMMZAZ-OAHLLOKOSA-N 1 2 348.516 3.145 20 30 EGEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)OCCc1cn2c([nH+]1)CCCC2 ZINC001122946131 1372345287 /nfs/dbraw/zinc/34/52/87/1372345287.db2.gz PLHVEVDKRPIFNF-OAHLLOKOSA-N 1 2 337.423 3.056 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2nccc(C)n2)C[C@H]1C ZINC001210547182 1372375680 /nfs/dbraw/zinc/37/56/80/1372375680.db2.gz HXGHYLXIBWEPJQ-SJLPKXTDSA-N 1 2 346.519 3.472 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2nccc(C)n2)C[C@H]1C ZINC001210547182 1372375684 /nfs/dbraw/zinc/37/56/84/1372375684.db2.gz HXGHYLXIBWEPJQ-SJLPKXTDSA-N 1 2 346.519 3.472 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001123776874 1372584949 /nfs/dbraw/zinc/58/49/49/1372584949.db2.gz HHKFMDDIVDVORT-DLBZAZTESA-N 1 2 342.487 3.409 20 30 EGEDLO N#CC1(c2ccc(Nc3ccc(N4CCC(O)CC4)[nH+]c3)cc2)CC1 ZINC001212247958 1372678973 /nfs/dbraw/zinc/67/89/73/1372678973.db2.gz ZCQOJIPDCFAQCH-UHFFFAOYSA-N 1 2 334.423 3.341 20 30 EGEDLO CC(C)(C)n1cc(C#N)cc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212352138 1372692166 /nfs/dbraw/zinc/69/21/66/1372692166.db2.gz KTHOUZDWVBJHNZ-UHFFFAOYSA-N 1 2 325.416 3.090 20 30 EGEDLO CCCCCCCCS(=O)(=O)NCc1c[nH+]c2ccc(C)cn12 ZINC001188020875 1388217914 /nfs/dbraw/zinc/21/79/14/1388217914.db2.gz INBBZQRSYCUHEQ-UHFFFAOYSA-N 1 2 337.489 3.423 20 30 EGEDLO N#Cc1nc2ccc(Nc3ccc(C[NH+]4CC(O)C4)cc3)cc2s1 ZINC001212670359 1372749694 /nfs/dbraw/zinc/74/96/94/1372749694.db2.gz UJGRPBANNVIHMA-UHFFFAOYSA-N 1 2 336.420 3.088 20 30 EGEDLO C#CCCCC(=O)N(CCN(C)c1cc(C)[nH+]c(C(C)C)n1)C(C)C ZINC001125488233 1372795004 /nfs/dbraw/zinc/79/50/04/1372795004.db2.gz HRJXRKLYQGNQRQ-UHFFFAOYSA-N 1 2 344.503 3.385 20 30 EGEDLO C=CC1(CC(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@H]2OC)CCCCC1 ZINC001213561510 1372926445 /nfs/dbraw/zinc/92/64/45/1372926445.db2.gz APOYSBLCQMXAJN-LWALAHDXSA-N 1 2 340.895 3.081 20 30 EGEDLO C=CC1(CC(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@H]2OC)CCCCC1 ZINC001213561510 1372926446 /nfs/dbraw/zinc/92/64/46/1372926446.db2.gz APOYSBLCQMXAJN-LWALAHDXSA-N 1 2 340.895 3.081 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001127761641 1373175860 /nfs/dbraw/zinc/17/58/60/1373175860.db2.gz CSDRZISJPWFKCZ-FQEVSTJZSA-N 1 2 342.487 3.257 20 30 EGEDLO COc1ccc(C[NH+]2CCOCC2)cc1Nc1oc(C)c(C)c1C#N ZINC001215547143 1373211352 /nfs/dbraw/zinc/21/13/52/1373211352.db2.gz LYVUEVIJNFCPDR-UHFFFAOYSA-N 1 2 341.411 3.353 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CC3(C)C)c2C1 ZINC001128301167 1373248979 /nfs/dbraw/zinc/24/89/79/1373248979.db2.gz RMVYECMCYIIGMZ-QGZVFWFLSA-N 1 2 346.519 3.331 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CC3(C)C)c2C1 ZINC001128301167 1373248982 /nfs/dbraw/zinc/24/89/82/1373248982.db2.gz RMVYECMCYIIGMZ-QGZVFWFLSA-N 1 2 346.519 3.331 20 30 EGEDLO C=CC(C)(C)C(=O)NCc1cnn2c1C[N@H+](CC/C=C/CCC)CC2 ZINC001128454779 1373270578 /nfs/dbraw/zinc/27/05/78/1373270578.db2.gz ZACVFVRGSAETOA-CMDGGOBGSA-N 1 2 344.503 3.274 20 30 EGEDLO C=CC(C)(C)C(=O)NCc1cnn2c1C[N@@H+](CC/C=C/CCC)CC2 ZINC001128454779 1373270587 /nfs/dbraw/zinc/27/05/87/1373270587.db2.gz ZACVFVRGSAETOA-CMDGGOBGSA-N 1 2 344.503 3.274 20 30 EGEDLO C=CCCC(=O)N1CCC(n2ncc3c2C[N@H+](CCC(C)C)C3)CC1 ZINC001130164726 1373467406 /nfs/dbraw/zinc/46/74/06/1373467406.db2.gz QXJWPTDRPJKKMH-UHFFFAOYSA-N 1 2 344.503 3.375 20 30 EGEDLO C=CCCC(=O)N1CCC(n2ncc3c2C[N@@H+](CCC(C)C)C3)CC1 ZINC001130164726 1373467407 /nfs/dbraw/zinc/46/74/07/1373467407.db2.gz QXJWPTDRPJKKMH-UHFFFAOYSA-N 1 2 344.503 3.375 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@H](C)O[C@@]2(CC[N@H+](CC(=C)Cl)C2)C1 ZINC001131660972 1373749449 /nfs/dbraw/zinc/74/94/49/1373749449.db2.gz IDJQUGKGUDCECG-MAUKXSAKSA-N 1 2 340.895 3.033 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@H](C)O[C@@]2(CC[N@@H+](CC(=C)Cl)C2)C1 ZINC001131660972 1373749454 /nfs/dbraw/zinc/74/94/54/1373749454.db2.gz IDJQUGKGUDCECG-MAUKXSAKSA-N 1 2 340.895 3.033 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)CCC)C[C@@H](C)O2 ZINC001131682557 1373760974 /nfs/dbraw/zinc/76/09/74/1373760974.db2.gz QEUPLKCTRTWZLE-CRAIPNDOSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)CCC)C[C@@H](C)O2 ZINC001131682557 1373760975 /nfs/dbraw/zinc/76/09/75/1373760975.db2.gz QEUPLKCTRTWZLE-CRAIPNDOSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)CC(CC)CC)C[C@@H](C)O2 ZINC001131693110 1373766453 /nfs/dbraw/zinc/76/64/53/1373766453.db2.gz MQWZWNBHUBTPJY-QAPCUYQASA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CC(CC)CC)C[C@@H](C)O2 ZINC001131693110 1373766455 /nfs/dbraw/zinc/76/64/55/1373766455.db2.gz MQWZWNBHUBTPJY-QAPCUYQASA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)CCCCC)CC[C@H]1C ZINC001131825952 1373825708 /nfs/dbraw/zinc/82/57/08/1373825708.db2.gz MOXSWBFDUCPENV-ZIAGYGMSSA-N 1 2 331.298 3.444 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)CCCCC)CC[C@H]1C ZINC001131825952 1373825712 /nfs/dbraw/zinc/82/57/12/1373825712.db2.gz MOXSWBFDUCPENV-ZIAGYGMSSA-N 1 2 331.298 3.444 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001131959607 1375071112 /nfs/dbraw/zinc/07/11/12/1375071112.db2.gz GPZOOIAGNZXWBX-RHSMWYFYSA-N 1 2 329.419 3.291 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001131959607 1375071116 /nfs/dbraw/zinc/07/11/16/1375071116.db2.gz GPZOOIAGNZXWBX-RHSMWYFYSA-N 1 2 329.419 3.291 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001131973133 1375078112 /nfs/dbraw/zinc/07/81/12/1375078112.db2.gz YLTHASYIVYPCKD-DOTOQJQBSA-N 1 2 347.890 3.398 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001131973133 1375078116 /nfs/dbraw/zinc/07/81/16/1375078116.db2.gz YLTHASYIVYPCKD-DOTOQJQBSA-N 1 2 347.890 3.398 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2csc(CC)n2)C1 ZINC001131976603 1375079582 /nfs/dbraw/zinc/07/95/82/1375079582.db2.gz NFDOOYCSXCAOPA-HOTGVXAUSA-N 1 2 347.528 3.368 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2csc(CC)n2)C1 ZINC001131976603 1375079587 /nfs/dbraw/zinc/07/95/87/1375079587.db2.gz NFDOOYCSXCAOPA-HOTGVXAUSA-N 1 2 347.528 3.368 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1ccc(F)cc1F ZINC001132035177 1375109100 /nfs/dbraw/zinc/10/91/00/1375109100.db2.gz YLRJHTOYMOSFLF-YOEHRIQHSA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1ccc(F)cc1F ZINC001132035177 1375109103 /nfs/dbraw/zinc/10/91/03/1375109103.db2.gz YLRJHTOYMOSFLF-YOEHRIQHSA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC001132046393 1375115918 /nfs/dbraw/zinc/11/59/18/1375115918.db2.gz OEHKPXPXJQYPKX-CZUORRHYSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC001132046393 1375115921 /nfs/dbraw/zinc/11/59/21/1375115921.db2.gz OEHKPXPXJQYPKX-CZUORRHYSA-N 1 2 348.849 3.362 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=C)Br)C1 ZINC001132065593 1375129286 /nfs/dbraw/zinc/12/92/86/1375129286.db2.gz WNLMFCOSIRPKLB-KGLIPLIRSA-N 1 2 329.282 3.220 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=C)Br)C1 ZINC001132065593 1375129290 /nfs/dbraw/zinc/12/92/90/1375129290.db2.gz WNLMFCOSIRPKLB-KGLIPLIRSA-N 1 2 329.282 3.220 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001132067949 1375130135 /nfs/dbraw/zinc/13/01/35/1375130135.db2.gz BSNIWTQPGLOBMT-XJKSGUPXSA-N 1 2 333.476 3.363 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001132067949 1375130137 /nfs/dbraw/zinc/13/01/37/1375130137.db2.gz BSNIWTQPGLOBMT-XJKSGUPXSA-N 1 2 333.476 3.363 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)CCC2CCCC2)CC1 ZINC001225897161 1375171135 /nfs/dbraw/zinc/17/11/35/1375171135.db2.gz IFDXIEULRJCXCT-UHFFFAOYSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCc2nc(C)cs2)CC[C@H]1C ZINC001132174248 1375188265 /nfs/dbraw/zinc/18/82/65/1375188265.db2.gz UMGLQFSRATXRBU-ZIAGYGMSSA-N 1 2 341.908 3.106 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCc2nc(C)cs2)CC[C@H]1C ZINC001132174248 1375188268 /nfs/dbraw/zinc/18/82/68/1375188268.db2.gz UMGLQFSRATXRBU-ZIAGYGMSSA-N 1 2 341.908 3.106 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ncoc2C(C)C)C1 ZINC001132217704 1375214597 /nfs/dbraw/zinc/21/45/97/1375214597.db2.gz GAWKHMJPBJPFLO-LSDHHAIUSA-N 1 2 333.476 3.479 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001132217704 1375214603 /nfs/dbraw/zinc/21/46/03/1375214603.db2.gz GAWKHMJPBJPFLO-LSDHHAIUSA-N 1 2 333.476 3.479 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001132223477 1375220759 /nfs/dbraw/zinc/22/07/59/1375220759.db2.gz DUUAONIQLPXREC-ROUUACIJSA-N 1 2 344.503 3.127 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001132223477 1375220766 /nfs/dbraw/zinc/22/07/66/1375220766.db2.gz DUUAONIQLPXREC-ROUUACIJSA-N 1 2 344.503 3.127 20 30 EGEDLO C=C/C(C)=C/CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=C)Br)C1 ZINC001132228949 1375226041 /nfs/dbraw/zinc/22/60/41/1375226041.db2.gz YLFVWYZZTRRDDB-QQMNEEJDSA-N 1 2 341.293 3.387 20 30 EGEDLO C=C/C(C)=C/CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=C)Br)C1 ZINC001132228949 1375226046 /nfs/dbraw/zinc/22/60/46/1375226046.db2.gz YLFVWYZZTRRDDB-QQMNEEJDSA-N 1 2 341.293 3.387 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC=C(Cl)Cl)C1 ZINC001132235594 1375231104 /nfs/dbraw/zinc/23/11/04/1375231104.db2.gz QBMKQCFNMWMMBP-UONOGXRCSA-N 1 2 331.287 3.468 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC=C(Cl)Cl)C1 ZINC001132235594 1375231101 /nfs/dbraw/zinc/23/11/01/1375231101.db2.gz QBMKQCFNMWMMBP-UONOGXRCSA-N 1 2 331.287 3.468 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001132236149 1375231555 /nfs/dbraw/zinc/23/15/55/1375231555.db2.gz ZANIGEVCCKJAKS-NVXWUHKLSA-N 1 2 347.890 3.398 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001132236149 1375231556 /nfs/dbraw/zinc/23/15/56/1375231556.db2.gz ZANIGEVCCKJAKS-NVXWUHKLSA-N 1 2 347.890 3.398 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1noc(C)n1 ZINC001226434174 1375257845 /nfs/dbraw/zinc/25/78/45/1375257845.db2.gz GCGNPJKELMUXBQ-IAOVAPTHSA-N 1 2 346.475 3.224 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3ncc(C)o3)C2)CCC1 ZINC001132278906 1375262129 /nfs/dbraw/zinc/26/21/29/1375262129.db2.gz SMOHHSDBZJVGBE-GOEBONIOSA-N 1 2 331.460 3.199 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3ncc(C)o3)C2)CCC1 ZINC001132278906 1375262130 /nfs/dbraw/zinc/26/21/30/1375262130.db2.gz SMOHHSDBZJVGBE-GOEBONIOSA-N 1 2 331.460 3.199 20 30 EGEDLO C=CCCC(=O)NC1CC[NH+](Cc2ncc(-c3cccs3)o2)CC1 ZINC001226518902 1375273584 /nfs/dbraw/zinc/27/35/84/1375273584.db2.gz ODKUPDVARDHRTM-UHFFFAOYSA-N 1 2 345.468 3.450 20 30 EGEDLO C#CCC1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(F)(F)C(F)F)CCC1 ZINC001226730313 1375319271 /nfs/dbraw/zinc/31/92/71/1375319271.db2.gz HHMDAQKSQRUYPZ-CHWSQXEVSA-N 1 2 348.384 3.097 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)COc2ccccc2C)CC[C@H]1C ZINC001132458860 1375402102 /nfs/dbraw/zinc/40/21/02/1375402102.db2.gz YNDNXLBSCMHOOM-CVEARBPZSA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)COc2ccccc2C)CC[C@H]1C ZINC001132458860 1375402104 /nfs/dbraw/zinc/40/21/04/1375402104.db2.gz YNDNXLBSCMHOOM-CVEARBPZSA-N 1 2 336.863 3.095 20 30 EGEDLO C=CC(C)(C)CC(=O)NC1CC[NH+]([C@H](C)c2nc(C(C)C)no2)CC1 ZINC001227570611 1375446044 /nfs/dbraw/zinc/44/60/44/1375446044.db2.gz MVKZSAVBHNWXNW-CQSZACIVSA-N 1 2 348.491 3.437 20 30 EGEDLO C=C(C)CCC(=O)NC1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC001227588800 1375447700 /nfs/dbraw/zinc/44/77/00/1375447700.db2.gz XAXQJLDUQWELRV-UHFFFAOYSA-N 1 2 333.501 3.457 20 30 EGEDLO COc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1C#N ZINC001132547889 1375454761 /nfs/dbraw/zinc/45/47/61/1375454761.db2.gz SAQMJMWLBXZQGJ-UHFFFAOYSA-N 1 2 332.363 3.064 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001228579600 1375603449 /nfs/dbraw/zinc/60/34/49/1375603449.db2.gz MAWPTAPVBHKXNX-UHFFFAOYSA-N 1 2 343.446 3.380 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC001228810620 1375685774 /nfs/dbraw/zinc/68/57/74/1375685774.db2.gz YNLKWFNWYADBEX-LBPRGKRZSA-N 1 2 341.908 3.479 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@H]21 ZINC001188886204 1388401133 /nfs/dbraw/zinc/40/11/33/1388401133.db2.gz URMYCPYAKOOZBT-CJFJZISYSA-N 1 2 331.287 3.440 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@H]21 ZINC001188886204 1388401135 /nfs/dbraw/zinc/40/11/35/1388401135.db2.gz URMYCPYAKOOZBT-CJFJZISYSA-N 1 2 331.287 3.440 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C(C)C)o3)C[C@H]21 ZINC001188894518 1388402991 /nfs/dbraw/zinc/40/29/91/1388402991.db2.gz ANLKHTIQZXVYIN-YESZJQIVSA-N 1 2 345.487 3.433 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C(C)C)o3)C[C@H]21 ZINC001188894518 1388402994 /nfs/dbraw/zinc/40/29/94/1388402994.db2.gz ANLKHTIQZXVYIN-YESZJQIVSA-N 1 2 345.487 3.433 20 30 EGEDLO Cc1nc(O[C@H]2CCCCC2=O)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229770154 1375890241 /nfs/dbraw/zinc/89/02/41/1375890241.db2.gz XHMRHSZKSHEACM-SFHVURJKSA-N 1 2 346.390 3.467 20 30 EGEDLO C#CCC1(C(=O)NC2CC[NH+](Cc3cc(C)on3)CC2)CCCCC1 ZINC001230404144 1376021188 /nfs/dbraw/zinc/02/11/88/1376021188.db2.gz CFXVRWONCFUDCO-UHFFFAOYSA-N 1 2 343.471 3.037 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NCCC[N@H+](CCF)Cc1cccnc1 ZINC001230769501 1376145735 /nfs/dbraw/zinc/14/57/35/1376145735.db2.gz VAHNVHJACPBLOP-UHFFFAOYSA-N 1 2 341.858 3.138 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NCCC[N@@H+](CCF)Cc1cccnc1 ZINC001230769501 1376145738 /nfs/dbraw/zinc/14/57/38/1376145738.db2.gz VAHNVHJACPBLOP-UHFFFAOYSA-N 1 2 341.858 3.138 20 30 EGEDLO C/C(=C/C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C1CC1 ZINC001230948633 1376185733 /nfs/dbraw/zinc/18/57/33/1376185733.db2.gz OZXXQXDDCRQHFJ-UZGISAJGSA-N 1 2 329.469 3.009 20 30 EGEDLO C/C(=C/C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C1CC1 ZINC001230948633 1376185734 /nfs/dbraw/zinc/18/57/34/1376185734.db2.gz OZXXQXDDCRQHFJ-UZGISAJGSA-N 1 2 329.469 3.009 20 30 EGEDLO CCC[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001231312630 1376227628 /nfs/dbraw/zinc/22/76/28/1376227628.db2.gz QZLGXHQFIXOQDI-PBHICJAKSA-N 1 2 331.435 3.166 20 30 EGEDLO CCC[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001231312630 1376227639 /nfs/dbraw/zinc/22/76/39/1376227639.db2.gz QZLGXHQFIXOQDI-PBHICJAKSA-N 1 2 331.435 3.166 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC001188999506 1388432526 /nfs/dbraw/zinc/43/25/26/1388432526.db2.gz QJSNGMHDHGQRQE-DOTOQJQBSA-N 1 2 345.512 3.410 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC001188999506 1388432530 /nfs/dbraw/zinc/43/25/30/1388432530.db2.gz QJSNGMHDHGQRQE-DOTOQJQBSA-N 1 2 345.512 3.410 20 30 EGEDLO CCOC[C@@H]1Cn2nccc2C[N@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232114411 1376401692 /nfs/dbraw/zinc/40/16/92/1376401692.db2.gz IYVKHGHERDSLTG-HNNXBMFYSA-N 1 2 344.846 3.077 20 30 EGEDLO CCOC[C@@H]1Cn2nccc2C[N@@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232114411 1376401697 /nfs/dbraw/zinc/40/16/97/1376401697.db2.gz IYVKHGHERDSLTG-HNNXBMFYSA-N 1 2 344.846 3.077 20 30 EGEDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)c(Cl)c2)Cc2ccccc21 ZINC001232118716 1376402973 /nfs/dbraw/zinc/40/29/73/1376402973.db2.gz OUXKMSZJMGILRS-QGZVFWFLSA-N 1 2 340.810 3.484 20 30 EGEDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)c(Cl)c2)Cc2ccccc21 ZINC001232118716 1376402983 /nfs/dbraw/zinc/40/29/83/1376402983.db2.gz OUXKMSZJMGILRS-QGZVFWFLSA-N 1 2 340.810 3.484 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3CCC3)CC2)cc1Cl ZINC001232120713 1376404521 /nfs/dbraw/zinc/40/45/21/1376404521.db2.gz XCVMJZQQVSVNJE-UHFFFAOYSA-N 1 2 331.847 3.046 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3CCC3)CC2)cc1Cl ZINC001232120713 1376404522 /nfs/dbraw/zinc/40/45/22/1376404522.db2.gz XCVMJZQQVSVNJE-UHFFFAOYSA-N 1 2 331.847 3.046 20 30 EGEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1cccc(Br)c1N)CC2 ZINC001232522529 1376475763 /nfs/dbraw/zinc/47/57/63/1376475763.db2.gz WZOGILOHGSPLQP-UHFFFAOYSA-N 1 2 342.240 3.461 20 30 EGEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1cccc(Br)c1N)CC2 ZINC001232522529 1376475764 /nfs/dbraw/zinc/47/57/64/1376475764.db2.gz WZOGILOHGSPLQP-UHFFFAOYSA-N 1 2 342.240 3.461 20 30 EGEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](Sc3ccncc3)C2)c1 ZINC001232680244 1376499911 /nfs/dbraw/zinc/49/99/11/1376499911.db2.gz ZXRBWSMXYCWZPP-QGZVFWFLSA-N 1 2 325.437 3.416 20 30 EGEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H](Sc3ccncc3)C2)c1 ZINC001232680244 1376499913 /nfs/dbraw/zinc/49/99/13/1376499913.db2.gz ZXRBWSMXYCWZPP-QGZVFWFLSA-N 1 2 325.437 3.416 20 30 EGEDLO CCOC(=O)C1(C(C)C)CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232678337 1376500532 /nfs/dbraw/zinc/50/05/32/1376500532.db2.gz VRZDBEQCPHCQBF-UHFFFAOYSA-N 1 2 330.428 3.065 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc(F)ccc1C#N ZINC001232889206 1376532755 /nfs/dbraw/zinc/53/27/55/1376532755.db2.gz DPKQPNYCKTUAQD-XIRDDKMYSA-N 1 2 345.418 3.185 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc(F)ccc1C#N ZINC001232889206 1376532762 /nfs/dbraw/zinc/53/27/62/1376532762.db2.gz DPKQPNYCKTUAQD-XIRDDKMYSA-N 1 2 345.418 3.185 20 30 EGEDLO N#Cc1ccc(C[N@H+](Cc2cccnc2)Cc2ccccn2)c(O)c1 ZINC001233385368 1376633555 /nfs/dbraw/zinc/63/35/55/1376633555.db2.gz FLXHRHGUVWNUQR-UHFFFAOYSA-N 1 2 330.391 3.256 20 30 EGEDLO N#Cc1ccc(C[N@@H+](Cc2cccnc2)Cc2ccccn2)c(O)c1 ZINC001233385368 1376633558 /nfs/dbraw/zinc/63/35/58/1376633558.db2.gz FLXHRHGUVWNUQR-UHFFFAOYSA-N 1 2 330.391 3.256 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H]1CCc2c1c(F)ccc2F ZINC001233966418 1376745288 /nfs/dbraw/zinc/74/52/88/1376745288.db2.gz LUNNUHSGPHSQIO-KSSFIOAISA-N 1 2 346.421 3.288 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H]1CCc2c1c(F)ccc2F ZINC001233966418 1376745291 /nfs/dbraw/zinc/74/52/91/1376745291.db2.gz LUNNUHSGPHSQIO-KSSFIOAISA-N 1 2 346.421 3.288 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC001233965793 1376745864 /nfs/dbraw/zinc/74/58/64/1376745864.db2.gz FKVJFXFRKMMDQH-LJQANCHMSA-N 1 2 342.870 3.028 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001233965793 1376745866 /nfs/dbraw/zinc/74/58/66/1376745866.db2.gz FKVJFXFRKMMDQH-LJQANCHMSA-N 1 2 342.870 3.028 20 30 EGEDLO CC(C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F)=C1CCC1 ZINC001234151304 1376778700 /nfs/dbraw/zinc/77/87/00/1376778700.db2.gz NNEJOOJCRYHCNY-GOSISDBHSA-N 1 2 341.430 3.230 20 30 EGEDLO CC(C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1F)=C1CCC1 ZINC001234151304 1376778706 /nfs/dbraw/zinc/77/87/06/1376778706.db2.gz NNEJOOJCRYHCNY-GOSISDBHSA-N 1 2 341.430 3.230 20 30 EGEDLO CC(C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F)=C1CCC1 ZINC001234150678 1376778781 /nfs/dbraw/zinc/77/87/81/1376778781.db2.gz IOYYXXOWNHHVPE-SFHVURJKSA-N 1 2 341.430 3.230 20 30 EGEDLO CC(C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(C#N)ccc1F)=C1CCC1 ZINC001234150678 1376778788 /nfs/dbraw/zinc/77/87/88/1376778788.db2.gz IOYYXXOWNHHVPE-SFHVURJKSA-N 1 2 341.430 3.230 20 30 EGEDLO Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234195679 1376784111 /nfs/dbraw/zinc/78/41/11/1376784111.db2.gz MSAMXMGQAQESMI-MRXNPFEDSA-N 1 2 345.487 3.189 20 30 EGEDLO Cc1nc(C(C)C)oc1C[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234195679 1376784116 /nfs/dbraw/zinc/78/41/16/1376784116.db2.gz MSAMXMGQAQESMI-MRXNPFEDSA-N 1 2 345.487 3.189 20 30 EGEDLO N#CC1([NH2+][C@@H]2CCC(=O)N(Cc3ccccc3)CC2)CCCCC1 ZINC001258571709 1377117913 /nfs/dbraw/zinc/11/79/13/1377117913.db2.gz CKGSUTAFAIEGOU-GOSISDBHSA-N 1 2 325.456 3.384 20 30 EGEDLO C[N@H+](CCNC(=O)C(C1CCC1)C1CCC1)Cc1ccccc1C#N ZINC001266313045 1377269857 /nfs/dbraw/zinc/26/98/57/1377269857.db2.gz FAUJNNMCINTWPT-UHFFFAOYSA-N 1 2 339.483 3.323 20 30 EGEDLO C[N@@H+](CCNC(=O)C(C1CCC1)C1CCC1)Cc1ccccc1C#N ZINC001266313045 1377269861 /nfs/dbraw/zinc/26/98/61/1377269861.db2.gz FAUJNNMCINTWPT-UHFFFAOYSA-N 1 2 339.483 3.323 20 30 EGEDLO Cc1cc(NC(=O)COc2cccc(C#N)c2)ccc1-n1cc[nH+]c1 ZINC001136624913 1377410428 /nfs/dbraw/zinc/41/04/28/1377410428.db2.gz POSITSUOIULEKK-UHFFFAOYSA-N 1 2 332.363 3.070 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(Cl)nc1F)C2 ZINC001137473976 1377554130 /nfs/dbraw/zinc/55/41/30/1377554130.db2.gz CVPFUJIZMZPSJK-PBHICJAKSA-N 1 2 340.826 3.200 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(Cl)nc1F)C2 ZINC001137473976 1377554132 /nfs/dbraw/zinc/55/41/32/1377554132.db2.gz CVPFUJIZMZPSJK-PBHICJAKSA-N 1 2 340.826 3.200 20 30 EGEDLO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c(C#N)c1 ZINC001137706877 1377600881 /nfs/dbraw/zinc/60/08/81/1377600881.db2.gz VBLBDGHGIAOFTI-CJNGLKHVSA-N 1 2 345.443 3.054 20 30 EGEDLO COc1ccc(C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c(C#N)c1 ZINC001137706877 1377600883 /nfs/dbraw/zinc/60/08/83/1377600883.db2.gz VBLBDGHGIAOFTI-CJNGLKHVSA-N 1 2 345.443 3.054 20 30 EGEDLO N#Cc1ccccc1OC1C[NH+](Cc2ccc(-n3cccn3)cc2)C1 ZINC001137763588 1377612803 /nfs/dbraw/zinc/61/28/03/1377612803.db2.gz WLLQSCBDICQEFK-UHFFFAOYSA-N 1 2 330.391 3.007 20 30 EGEDLO O=C1C=C2C[N@H+](Cc3cccn3-c3ccccc3F)CC[C@@H]2S1 ZINC001138631973 1377758168 /nfs/dbraw/zinc/75/81/68/1377758168.db2.gz JFWNZPMGONKRBU-KRWDZBQOSA-N 1 2 328.412 3.391 20 30 EGEDLO O=C1C=C2C[N@@H+](Cc3cccn3-c3ccccc3F)CC[C@@H]2S1 ZINC001138631973 1377758173 /nfs/dbraw/zinc/75/81/73/1377758173.db2.gz JFWNZPMGONKRBU-KRWDZBQOSA-N 1 2 328.412 3.391 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC001138675863 1377767077 /nfs/dbraw/zinc/76/70/77/1377767077.db2.gz OSKSYKMINOWFMV-CQSZACIVSA-N 1 2 326.799 3.356 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC001138675863 1377767081 /nfs/dbraw/zinc/76/70/81/1377767081.db2.gz OSKSYKMINOWFMV-CQSZACIVSA-N 1 2 326.799 3.356 20 30 EGEDLO C=CCOc1ccccc1C[N@@H+]1CCN2C(=O)c3ccccc3[C@@H]2C1 ZINC001139028996 1377819638 /nfs/dbraw/zinc/81/96/38/1377819638.db2.gz MLXBCLXDDXHFLX-IBGZPJMESA-N 1 2 334.419 3.264 20 30 EGEDLO C=CCOc1ccccc1C[N@H+]1CCN2C(=O)c3ccccc3[C@@H]2C1 ZINC001139028996 1377819639 /nfs/dbraw/zinc/81/96/39/1377819639.db2.gz MLXBCLXDDXHFLX-IBGZPJMESA-N 1 2 334.419 3.264 20 30 EGEDLO COc1ccc2c(c1)c(C[NH+]1CC(Oc3ccccc3C#N)C1)cn2C ZINC001139151981 1377839124 /nfs/dbraw/zinc/83/91/24/1377839124.db2.gz OBRYYIZTUXLSJS-UHFFFAOYSA-N 1 2 347.418 3.322 20 30 EGEDLO N#Cc1ccc(F)c(CN2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)c1 ZINC001139650405 1377926069 /nfs/dbraw/zinc/92/60/69/1377926069.db2.gz FVOGONVWIVYGNI-KRWDZBQOSA-N 1 2 337.389 3.393 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001139649526 1377926211 /nfs/dbraw/zinc/92/62/11/1377926211.db2.gz MNIDONVNDIOZAZ-XJKSGUPXSA-N 1 2 347.434 3.432 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001139649526 1377926213 /nfs/dbraw/zinc/92/62/13/1377926213.db2.gz MNIDONVNDIOZAZ-XJKSGUPXSA-N 1 2 347.434 3.432 20 30 EGEDLO CCN(CC)C(=O)NC1CC[NH+](Cc2cccc(Cl)c2C#N)CC1 ZINC001139693247 1377936383 /nfs/dbraw/zinc/93/63/83/1377936383.db2.gz VVZSMQDXMCAIEY-UHFFFAOYSA-N 1 2 348.878 3.227 20 30 EGEDLO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2cnc(Cl)nc2)C1 ZINC001139991961 1377988585 /nfs/dbraw/zinc/98/85/85/1377988585.db2.gz MIDDCLKNHHRVJD-HNNXBMFYSA-N 1 2 328.803 3.045 20 30 EGEDLO N#Cc1ccccc1O[C@H]1CCC[N@H+](Cc2cnc(Cl)nc2)C1 ZINC001139991961 1377988586 /nfs/dbraw/zinc/98/85/86/1377988586.db2.gz MIDDCLKNHHRVJD-HNNXBMFYSA-N 1 2 328.803 3.045 20 30 EGEDLO COC(=O)C1(C#N)CC[NH+](Cc2c[nH]c3cccc(Cl)c23)CC1 ZINC001140438084 1378062383 /nfs/dbraw/zinc/06/23/83/1378062383.db2.gz MDAYWXKBTPGPBT-UHFFFAOYSA-N 1 2 331.803 3.100 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)cn1 ZINC001140546604 1378083079 /nfs/dbraw/zinc/08/30/79/1378083079.db2.gz NLUSAYZGFPFDOZ-UHFFFAOYSA-N 1 2 332.451 3.051 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)cn1 ZINC001140546604 1378083080 /nfs/dbraw/zinc/08/30/80/1378083080.db2.gz NLUSAYZGFPFDOZ-UHFFFAOYSA-N 1 2 332.451 3.051 20 30 EGEDLO N#Cc1c(F)cc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1F ZINC001140751095 1378129664 /nfs/dbraw/zinc/12/96/64/1378129664.db2.gz IZIHHXINEYKLDL-UHFFFAOYSA-N 1 2 345.368 3.293 20 30 EGEDLO Fc1cc(C[N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)cc(F)c1C(F)(F)F ZINC001140878898 1378167066 /nfs/dbraw/zinc/16/70/66/1378167066.db2.gz LJTKLFHQADAFTO-KCJUWKMLSA-N 1 2 343.242 3.450 20 30 EGEDLO Fc1cc(C[N@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)cc(F)c1C(F)(F)F ZINC001140878898 1378167067 /nfs/dbraw/zinc/16/70/67/1378167067.db2.gz LJTKLFHQADAFTO-KCJUWKMLSA-N 1 2 343.242 3.450 20 30 EGEDLO Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3ccc(F)cc3C#N)C2)c1 ZINC001141167383 1378257231 /nfs/dbraw/zinc/25/72/31/1378257231.db2.gz KHCFZYNZJBEKHY-GOSISDBHSA-N 1 2 325.387 3.444 20 30 EGEDLO Cc1ccnc(O[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3C#N)C2)c1 ZINC001141167383 1378257237 /nfs/dbraw/zinc/25/72/37/1378257237.db2.gz KHCFZYNZJBEKHY-GOSISDBHSA-N 1 2 325.387 3.444 20 30 EGEDLO N#Cc1ccccc1OC1C[NH+](Cc2cccc(-n3ccnc3)c2)C1 ZINC001141245089 1378282405 /nfs/dbraw/zinc/28/24/05/1378282405.db2.gz DRPUBTJOOCVKAK-UHFFFAOYSA-N 1 2 330.391 3.007 20 30 EGEDLO COc1ccc(C[NH+]2CCN(CCC#N)CC2)cc1OC1CCCC1 ZINC001141521162 1378338524 /nfs/dbraw/zinc/33/85/24/1378338524.db2.gz QJUUANKNCMVBIB-UHFFFAOYSA-N 1 2 343.471 3.048 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccc(Cl)nn3)C2)cc1 ZINC001142078544 1378411112 /nfs/dbraw/zinc/41/11/12/1378411112.db2.gz KUOTWXPPCDCKOR-MRXNPFEDSA-N 1 2 328.803 3.045 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CCC[N@H+](Cc3ccc(Cl)nn3)C2)cc1 ZINC001142078544 1378411113 /nfs/dbraw/zinc/41/11/13/1378411113.db2.gz KUOTWXPPCDCKOR-MRXNPFEDSA-N 1 2 328.803 3.045 20 30 EGEDLO C[NH+](C)[C@H](CNC(=O)C1(C#N)CC1)c1ccc(Cl)cc1Cl ZINC001143185892 1378555520 /nfs/dbraw/zinc/55/55/20/1378555520.db2.gz JGRKZBDUTXQULT-CYBMUJFWSA-N 1 2 326.227 3.016 20 30 EGEDLO CCOc1ccc(C(=O)C2CC[NH+](Cc3cncc(C#N)c3)CC2)cc1 ZINC001144079968 1378680752 /nfs/dbraw/zinc/68/07/52/1378680752.db2.gz QZOQLSCCZGXSAE-UHFFFAOYSA-N 1 2 349.434 3.447 20 30 EGEDLO COc1ccc([C@H]2CSCC[N@@H+]2Cc2ccc(C#N)cn2)cc1 ZINC001144162883 1378689938 /nfs/dbraw/zinc/68/99/38/1378689938.db2.gz AVWSZAXIFLOLJS-GOSISDBHSA-N 1 2 325.437 3.252 20 30 EGEDLO COc1ccc([C@H]2CSCC[N@H+]2Cc2ccc(C#N)cn2)cc1 ZINC001144162883 1378689942 /nfs/dbraw/zinc/68/99/42/1378689942.db2.gz AVWSZAXIFLOLJS-GOSISDBHSA-N 1 2 325.437 3.252 20 30 EGEDLO CCCCCC(=O)N1CC2(C1)CC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001147009554 1378955319 /nfs/dbraw/zinc/95/53/19/1378955319.db2.gz LXIYSEVVXBHRMP-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO CCCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001147009554 1378955324 /nfs/dbraw/zinc/95/53/24/1378955324.db2.gz LXIYSEVVXBHRMP-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@H+](Cc1cc(C(C)(C)C)on1)C2 ZINC001147639998 1379054564 /nfs/dbraw/zinc/05/45/64/1379054564.db2.gz LEGOJYPQHJCAKK-UHFFFAOYSA-N 1 2 345.487 3.363 20 30 EGEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@@H+](Cc1cc(C(C)(C)C)on1)C2 ZINC001147639998 1379054567 /nfs/dbraw/zinc/05/45/67/1379054567.db2.gz LEGOJYPQHJCAKK-UHFFFAOYSA-N 1 2 345.487 3.363 20 30 EGEDLO C#CCCCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1csc(C)n1)C2 ZINC001148059830 1379110542 /nfs/dbraw/zinc/11/05/42/1379110542.db2.gz NJGWIHKVRJRGQN-UHFFFAOYSA-N 1 2 345.512 3.070 20 30 EGEDLO C#CCCCCCC(=O)N1CC2(C1)CC[N@H+](Cc1csc(C)n1)C2 ZINC001148059830 1379110545 /nfs/dbraw/zinc/11/05/45/1379110545.db2.gz NJGWIHKVRJRGQN-UHFFFAOYSA-N 1 2 345.512 3.070 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1nnc(C)s1)C2 ZINC001148146488 1379124651 /nfs/dbraw/zinc/12/46/51/1379124651.db2.gz DVXOSPGRFPEVJH-UONOGXRCSA-N 1 2 348.516 3.044 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1nnc(C)s1)C2 ZINC001148146488 1379124652 /nfs/dbraw/zinc/12/46/52/1379124652.db2.gz DVXOSPGRFPEVJH-UONOGXRCSA-N 1 2 348.516 3.044 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C3CC3)o1)C2 ZINC001148357357 1379156136 /nfs/dbraw/zinc/15/61/36/1379156136.db2.gz KPXXEWYSALDTHX-UHFFFAOYSA-N 1 2 343.471 3.189 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C3CC3)o1)C2 ZINC001148357357 1379156137 /nfs/dbraw/zinc/15/61/37/1379156137.db2.gz KPXXEWYSALDTHX-UHFFFAOYSA-N 1 2 343.471 3.189 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)[C@H](C)[C@H](C)CC)C2)C1 ZINC001148501829 1379195132 /nfs/dbraw/zinc/19/51/32/1379195132.db2.gz UBMQVQRHNGNWGK-TZMCWYRMSA-N 1 2 343.309 3.112 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)[C@H](C)[C@H](C)CC)C2)C1 ZINC001148501829 1379195134 /nfs/dbraw/zinc/19/51/34/1379195134.db2.gz UBMQVQRHNGNWGK-TZMCWYRMSA-N 1 2 343.309 3.112 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)CCC3(C)CC3)C2)C1 ZINC001148542326 1379206812 /nfs/dbraw/zinc/20/68/12/1379206812.db2.gz BGVFTPIHCULSLA-UHFFFAOYSA-N 1 2 341.293 3.010 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)CCC3(C)CC3)C2)C1 ZINC001148542326 1379206816 /nfs/dbraw/zinc/20/68/16/1379206816.db2.gz BGVFTPIHCULSLA-UHFFFAOYSA-N 1 2 341.293 3.010 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H](NC(=O)CCC(C)C)[C@@H]1C ZINC001284101965 1379473206 /nfs/dbraw/zinc/47/32/06/1379473206.db2.gz LYKOQYKKACOGSM-KBPBESRZSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)CCC(C)C)[C@@H]1C ZINC001284101965 1379473213 /nfs/dbraw/zinc/47/32/13/1379473213.db2.gz LYKOQYKKACOGSM-KBPBESRZSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C2(C)CCC(C)CC2)C1 ZINC001150795917 1379617344 /nfs/dbraw/zinc/61/73/44/1379617344.db2.gz ROLHFRGTPMQFCZ-HQVVEAJESA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C2(C)CCC(C)CC2)C1 ZINC001150795917 1379617346 /nfs/dbraw/zinc/61/73/46/1379617346.db2.gz ROLHFRGTPMQFCZ-HQVVEAJESA-N 1 2 342.911 3.162 20 30 EGEDLO C=CC[C@@H](C(=O)NCC[NH2+]Cc1ncc(C2CC2)o1)c1ccccc1 ZINC001151838415 1379793695 /nfs/dbraw/zinc/79/36/95/1379793695.db2.gz SIGHBKFICRRYJT-QGZVFWFLSA-N 1 2 339.439 3.118 20 30 EGEDLO CCCCCCCC[C@@H](C)C(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001151848538 1379798669 /nfs/dbraw/zinc/79/86/69/1379798669.db2.gz PKFHUJUSSKNGAW-OAHLLOKOSA-N 1 2 338.496 3.225 20 30 EGEDLO C=CCC1(C(=O)NCC[NH2+]Cc2nc(CC(C)C)no2)CCCCC1 ZINC001152010631 1379837651 /nfs/dbraw/zinc/83/76/51/1379837651.db2.gz JGKLVAPUHJZZDG-UHFFFAOYSA-N 1 2 348.491 3.001 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C1CC(C)C1 ZINC001152729470 1379976703 /nfs/dbraw/zinc/97/67/03/1379976703.db2.gz PSIORNUCYGRWPQ-NPCAHTBFSA-N 1 2 331.435 3.070 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C1CC(C)C1 ZINC001152729470 1379976704 /nfs/dbraw/zinc/97/67/04/1379976704.db2.gz PSIORNUCYGRWPQ-NPCAHTBFSA-N 1 2 331.435 3.070 20 30 EGEDLO CC[C@@H](C)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(F)ccc1C#N ZINC001153006887 1380006674 /nfs/dbraw/zinc/00/66/74/1380006674.db2.gz KQWDOVMHEBNDEL-HUUCEWRRSA-N 1 2 333.451 3.460 20 30 EGEDLO CC[C@@H](C)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(F)ccc1C#N ZINC001153006887 1380006676 /nfs/dbraw/zinc/00/66/76/1380006676.db2.gz KQWDOVMHEBNDEL-HUUCEWRRSA-N 1 2 333.451 3.460 20 30 EGEDLO CCCc1nc(C[N@H+](CC)[C@H](C)CNC(=O)C#CC(C)C)cs1 ZINC001153207698 1380035493 /nfs/dbraw/zinc/03/54/93/1380035493.db2.gz QCFGMPVOJRYRGL-OAHLLOKOSA-N 1 2 335.517 3.082 20 30 EGEDLO CCCc1nc(C[N@@H+](CC)[C@H](C)CNC(=O)C#CC(C)C)cs1 ZINC001153207698 1380035495 /nfs/dbraw/zinc/03/54/95/1380035495.db2.gz QCFGMPVOJRYRGL-OAHLLOKOSA-N 1 2 335.517 3.082 20 30 EGEDLO CC[N@H+](Cc1ncoc1C(C)C)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153259705 1380046398 /nfs/dbraw/zinc/04/63/98/1380046398.db2.gz GVSSMUFANGERTE-OAHLLOKOSA-N 1 2 333.476 3.174 20 30 EGEDLO CC[N@@H+](Cc1ncoc1C(C)C)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153259705 1380046399 /nfs/dbraw/zinc/04/63/99/1380046399.db2.gz GVSSMUFANGERTE-OAHLLOKOSA-N 1 2 333.476 3.174 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1cscn1 ZINC001153587913 1380099216 /nfs/dbraw/zinc/09/92/16/1380099216.db2.gz BTLIEZXTAUHURA-LLVKDONJSA-N 1 2 329.897 3.248 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cscn1 ZINC001153587913 1380099217 /nfs/dbraw/zinc/09/92/17/1380099217.db2.gz BTLIEZXTAUHURA-LLVKDONJSA-N 1 2 329.897 3.248 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@@H](C)[N@H+](CC)Cc1csc(C)n1 ZINC001153828509 1380138106 /nfs/dbraw/zinc/13/81/06/1380138106.db2.gz LPKBZCBORJFCHZ-CQSZACIVSA-N 1 2 346.500 3.079 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1csc(C)n1 ZINC001153828509 1380138107 /nfs/dbraw/zinc/13/81/07/1380138107.db2.gz LPKBZCBORJFCHZ-CQSZACIVSA-N 1 2 346.500 3.079 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H](C)[N@H+](CC)Cc2ncc(C)s2)cc1 ZINC001154574416 1380308124 /nfs/dbraw/zinc/30/81/24/1380308124.db2.gz RFNGEAHZUWBUHZ-CQSZACIVSA-N 1 2 341.480 3.073 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2ncc(C)s2)cc1 ZINC001154574416 1380308125 /nfs/dbraw/zinc/30/81/25/1380308125.db2.gz RFNGEAHZUWBUHZ-CQSZACIVSA-N 1 2 341.480 3.073 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1cc(C)co1 ZINC001154724935 1380340888 /nfs/dbraw/zinc/34/08/88/1380340888.db2.gz UKDZNBOFLGBVOR-CQSZACIVSA-N 1 2 343.402 3.239 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1cc(C)co1 ZINC001154724935 1380340889 /nfs/dbraw/zinc/34/08/89/1380340889.db2.gz UKDZNBOFLGBVOR-CQSZACIVSA-N 1 2 343.402 3.239 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1nc2c(o1)CCCC2 ZINC001154756573 1380346786 /nfs/dbraw/zinc/34/67/86/1380346786.db2.gz DEAMMQVPOAZQDV-CVEARBPZSA-N 1 2 347.503 3.482 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc2c(o1)CCCC2 ZINC001154756573 1380346787 /nfs/dbraw/zinc/34/67/87/1380346787.db2.gz DEAMMQVPOAZQDV-CVEARBPZSA-N 1 2 347.503 3.482 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C1(C)CC=CC1 ZINC001155005038 1380389224 /nfs/dbraw/zinc/38/92/24/1380389224.db2.gz FVQZLCAEMJTMBS-CYBMUJFWSA-N 1 2 329.282 3.078 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C1(C)CC=CC1 ZINC001155005038 1380389222 /nfs/dbraw/zinc/38/92/22/1380389222.db2.gz FVQZLCAEMJTMBS-CYBMUJFWSA-N 1 2 329.282 3.078 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[N@H+](CC)Cc1noc2c1CCCC2 ZINC001155067289 1380402540 /nfs/dbraw/zinc/40/25/40/1380402540.db2.gz VLGLMQXOIMZFEK-QRWLVFNGSA-N 1 2 347.503 3.482 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1noc2c1CCCC2 ZINC001155067289 1380402541 /nfs/dbraw/zinc/40/25/41/1380402541.db2.gz VLGLMQXOIMZFEK-QRWLVFNGSA-N 1 2 347.503 3.482 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@@H](C)C(C)C ZINC001155581524 1380470492 /nfs/dbraw/zinc/47/04/92/1380470492.db2.gz TVJURHUVWSGACP-CABCVRRESA-N 1 2 333.451 3.316 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@@H](C)C(C)C ZINC001155581524 1380470493 /nfs/dbraw/zinc/47/04/93/1380470493.db2.gz TVJURHUVWSGACP-CABCVRRESA-N 1 2 333.451 3.316 20 30 EGEDLO N#Cc1c[nH]c2c1cccc2C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001157159387 1380790857 /nfs/dbraw/zinc/79/08/57/1380790857.db2.gz HAHQFQJMNYYOPS-UHFFFAOYSA-N 1 2 327.347 3.478 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2nocc2C)CCCC1 ZINC001157370319 1380856209 /nfs/dbraw/zinc/85/62/09/1380856209.db2.gz VYIYYSFWQRBWQX-MRXNPFEDSA-N 1 2 333.476 3.446 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2nocc2C)CCCC1 ZINC001157370319 1380856214 /nfs/dbraw/zinc/85/62/14/1380856214.db2.gz VYIYYSFWQRBWQX-MRXNPFEDSA-N 1 2 333.476 3.446 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)C1CCC1 ZINC001157417474 1380878147 /nfs/dbraw/zinc/87/81/47/1380878147.db2.gz USAFYZLMZQDMQT-CQSZACIVSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CCC1 ZINC001157417474 1380878173 /nfs/dbraw/zinc/87/81/73/1380878173.db2.gz USAFYZLMZQDMQT-CQSZACIVSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H](F)CC2CCCCC2)C1 ZINC001755389133 1440841422 /nfs/dbraw/zinc/84/14/22/1440841422.db2.gz PSEPPEVEFVJYBM-CZUORRHYSA-N 1 2 330.875 3.484 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC001158426544 1381241455 /nfs/dbraw/zinc/24/14/55/1381241455.db2.gz NBSBNTQZYMHPGN-GOEBONIOSA-N 1 2 334.464 3.108 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC001158426544 1381241457 /nfs/dbraw/zinc/24/14/57/1381241457.db2.gz NBSBNTQZYMHPGN-GOEBONIOSA-N 1 2 334.464 3.108 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)[C@@H](C)CC)CC1 ZINC001159324821 1381762412 /nfs/dbraw/zinc/76/24/12/1381762412.db2.gz CFROYTWEPVTAQV-LBPRGKRZSA-N 1 2 329.282 3.080 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C)CC)CC1 ZINC001159324821 1381762414 /nfs/dbraw/zinc/76/24/14/1381762414.db2.gz CFROYTWEPVTAQV-LBPRGKRZSA-N 1 2 329.282 3.080 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)/C=C(/C)CC)CC1 ZINC001160030250 1381973560 /nfs/dbraw/zinc/97/35/60/1381973560.db2.gz OWEULGRVPYDMBA-QBFSEMIESA-N 1 2 341.293 3.390 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)/C=C(/C)CC)CC1 ZINC001160030250 1381973567 /nfs/dbraw/zinc/97/35/67/1381973567.db2.gz OWEULGRVPYDMBA-QBFSEMIESA-N 1 2 341.293 3.390 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@H+]([C@@H](C)c2ncccn2)CC1 ZINC001160242120 1382045461 /nfs/dbraw/zinc/04/54/61/1382045461.db2.gz DZRHFSAEOJYAOV-INIZCTEOSA-N 1 2 342.487 3.278 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2ncccn2)CC1 ZINC001160242120 1382045464 /nfs/dbraw/zinc/04/54/64/1382045464.db2.gz DZRHFSAEOJYAOV-INIZCTEOSA-N 1 2 342.487 3.278 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@H+](Cc2nccc(C)n2)CC1 ZINC001160856232 1382217267 /nfs/dbraw/zinc/21/72/67/1382217267.db2.gz HXCNDQOVYMEBTO-UHFFFAOYSA-N 1 2 342.487 3.026 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2nccc(C)n2)CC1 ZINC001160856232 1382217276 /nfs/dbraw/zinc/21/72/76/1382217276.db2.gz HXCNDQOVYMEBTO-UHFFFAOYSA-N 1 2 342.487 3.026 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@H+](Cc2cscn2)CC1 ZINC001160860713 1382218395 /nfs/dbraw/zinc/21/83/95/1382218395.db2.gz NAXUMBXTZBHRCM-UHFFFAOYSA-N 1 2 333.501 3.384 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2cscn2)CC1 ZINC001160860713 1382218400 /nfs/dbraw/zinc/21/84/00/1382218400.db2.gz NAXUMBXTZBHRCM-UHFFFAOYSA-N 1 2 333.501 3.384 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@H+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001160861620 1382218965 /nfs/dbraw/zinc/21/89/65/1382218965.db2.gz VCAZEDHODMQZIB-AWEZNQCLSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001160861620 1382218969 /nfs/dbraw/zinc/21/89/69/1382218969.db2.gz VCAZEDHODMQZIB-AWEZNQCLSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCC1=CC[N@H+](Cc2coc(C)n2)CC1 ZINC001160942032 1382245921 /nfs/dbraw/zinc/24/59/21/1382245921.db2.gz UZOATGRUDWIACO-HUUCEWRRSA-N 1 2 331.460 3.080 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCC1=CC[N@@H+](Cc2coc(C)n2)CC1 ZINC001160942032 1382245925 /nfs/dbraw/zinc/24/59/25/1382245925.db2.gz UZOATGRUDWIACO-HUUCEWRRSA-N 1 2 331.460 3.080 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@H+](Cc2nccn2CC)CC1 ZINC001160961991 1382252403 /nfs/dbraw/zinc/25/24/03/1382252403.db2.gz XKCBLAQYRSDPMU-QGZVFWFLSA-N 1 2 344.503 3.144 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@@H+](Cc2nccn2CC)CC1 ZINC001160961991 1382252408 /nfs/dbraw/zinc/25/24/08/1382252408.db2.gz XKCBLAQYRSDPMU-QGZVFWFLSA-N 1 2 344.503 3.144 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@H+](Cc2coc(C)n2)CC1 ZINC001160990571 1382263826 /nfs/dbraw/zinc/26/38/26/1382263826.db2.gz CIFPSNTZUYWOIN-INIZCTEOSA-N 1 2 331.460 3.224 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@@H+](Cc2coc(C)n2)CC1 ZINC001160990571 1382263830 /nfs/dbraw/zinc/26/38/30/1382263830.db2.gz CIFPSNTZUYWOIN-INIZCTEOSA-N 1 2 331.460 3.224 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@H+](Cc2ncc(C)cn2)CC1 ZINC001161116704 1382305727 /nfs/dbraw/zinc/30/57/27/1382305727.db2.gz PBYRXJOWDPXPHR-HXUWFJFHSA-N 1 2 342.487 3.026 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@@H+](Cc2ncc(C)cn2)CC1 ZINC001161116704 1382305729 /nfs/dbraw/zinc/30/57/29/1382305729.db2.gz PBYRXJOWDPXPHR-HXUWFJFHSA-N 1 2 342.487 3.026 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1=CC[N@H+](Cc2ncc(C)cn2)CC1 ZINC001161336696 1382374325 /nfs/dbraw/zinc/37/43/25/1382374325.db2.gz XSNQEEHAKLOJQI-UHFFFAOYSA-N 1 2 342.487 3.026 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2ncc(C)cn2)CC1 ZINC001161336696 1382374330 /nfs/dbraw/zinc/37/43/30/1382374330.db2.gz XSNQEEHAKLOJQI-UHFFFAOYSA-N 1 2 342.487 3.026 20 30 EGEDLO COc1ccc(Cn2c[nH+]cc2CNc2ccc(C)c(C#N)n2)cc1 ZINC001161507963 1382426686 /nfs/dbraw/zinc/42/66/86/1382426686.db2.gz UXWKZWPAXLLXRQ-UHFFFAOYSA-N 1 2 333.395 3.127 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)C(C)(C)C)CC1 ZINC001161758537 1382496569 /nfs/dbraw/zinc/49/65/69/1382496569.db2.gz FKRWFDYCMPGWHF-UHFFFAOYSA-N 1 2 329.282 3.080 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)C(C)(C)C)CC1 ZINC001161758537 1382496572 /nfs/dbraw/zinc/49/65/72/1382496572.db2.gz FKRWFDYCMPGWHF-UHFFFAOYSA-N 1 2 329.282 3.080 20 30 EGEDLO N#Cc1cnc2cc(NC(=[NH2+])c3ccc(C(F)(F)F)cc3)c[nH]c1-2 ZINC001163683973 1383105054 /nfs/dbraw/zinc/10/50/54/1383105054.db2.gz MBXMSFLUVZPFJT-UHFFFAOYSA-N 1 2 329.285 3.490 20 30 EGEDLO N#Cc1ccc(Cl)nc1C(F)(F)N1CCC(n2cc[nH+]c2)CC1 ZINC001165158344 1383238691 /nfs/dbraw/zinc/23/86/91/1383238691.db2.gz CXCORFRXXOQLBF-UHFFFAOYSA-N 1 2 337.761 3.190 20 30 EGEDLO N#Cc1cnc(Cl)cc1C(F)(F)N1CCC(n2cc[nH+]c2)CC1 ZINC001165160180 1383239200 /nfs/dbraw/zinc/23/92/00/1383239200.db2.gz QYWLSOUVXOUGOF-UHFFFAOYSA-N 1 2 337.761 3.190 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@H](C#N)C2)C[C@@H]1C(F)(F)F ZINC001168562098 1383937300 /nfs/dbraw/zinc/93/73/00/1383937300.db2.gz WTVAESKYZQVPCV-FRRDWIJNSA-N 1 2 347.381 3.162 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@H](C#N)C2)C[C@@H]1C(F)(F)F ZINC001168562098 1383937302 /nfs/dbraw/zinc/93/73/02/1383937302.db2.gz WTVAESKYZQVPCV-FRRDWIJNSA-N 1 2 347.381 3.162 20 30 EGEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCCCOC(C)C)[nH+]1 ZINC001168679322 1383968385 /nfs/dbraw/zinc/96/83/85/1383968385.db2.gz KWKDZPNOYAULAM-MKXOMJGDSA-N 1 2 339.505 3.498 20 30 EGEDLO C=CCCCNc1c2[nH+]ccn2ccc1I ZINC001170299551 1384284933 /nfs/dbraw/zinc/28/49/33/1384284933.db2.gz DWSBSFJYNGGGBB-UHFFFAOYSA-N 1 2 327.169 3.317 20 30 EGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171181858 1384462158 /nfs/dbraw/zinc/46/21/58/1384462158.db2.gz PWSBUECKNLNZLF-OXQOHEQNSA-N 1 2 336.435 3.253 20 30 EGEDLO CSCC[C@H]([NH2+][C@H](C)Cc1cccc(C#N)c1)C(=O)OC(C)C ZINC001171194297 1384465437 /nfs/dbraw/zinc/46/54/37/1384465437.db2.gz JCPDOQLAXIQHIB-PBHICJAKSA-N 1 2 334.485 3.152 20 30 EGEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCn2cc(C(F)(F)F)nc2C1 ZINC001171221617 1384471823 /nfs/dbraw/zinc/47/18/23/1384471823.db2.gz QVQWKVFSBPIMMF-GFCCVEGCSA-N 1 2 334.345 3.220 20 30 EGEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCn2cc(C(F)(F)F)nc2C1 ZINC001171221617 1384471826 /nfs/dbraw/zinc/47/18/26/1384471826.db2.gz QVQWKVFSBPIMMF-GFCCVEGCSA-N 1 2 334.345 3.220 20 30 EGEDLO C=CCOc1ccccc1[C@H](C)Nc1cc[nH+]c(C(=O)OC)c1C ZINC001171376422 1384505899 /nfs/dbraw/zinc/50/58/99/1384505899.db2.gz WKTZCAHVPYZMAE-AWEZNQCLSA-N 1 2 326.396 3.336 20 30 EGEDLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172300734 1384763721 /nfs/dbraw/zinc/76/37/21/1384763721.db2.gz YJECQOMFLXSUMC-AUUYWEPGSA-N 1 2 340.398 3.002 20 30 EGEDLO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCn2cc(C(F)(F)F)nc2C1 ZINC001172306360 1384764758 /nfs/dbraw/zinc/76/47/58/1384764758.db2.gz JTKRCCARVNVLDZ-GFCCVEGCSA-N 1 2 334.345 3.220 20 30 EGEDLO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCn2cc(C(F)(F)F)nc2C1 ZINC001172306360 1384764760 /nfs/dbraw/zinc/76/47/60/1384764760.db2.gz JTKRCCARVNVLDZ-GFCCVEGCSA-N 1 2 334.345 3.220 20 30 EGEDLO C[N@H+](CCNC(=O)c1ccc(Cl)cc1)Cc1ccc(C#N)cc1F ZINC001317468085 1385161638 /nfs/dbraw/zinc/16/16/38/1385161638.db2.gz QKXYCUAYSDMLBL-UHFFFAOYSA-N 1 2 345.805 3.213 20 30 EGEDLO C[N@@H+](CCNC(=O)c1ccc(Cl)cc1)Cc1ccc(C#N)cc1F ZINC001317468085 1385161640 /nfs/dbraw/zinc/16/16/40/1385161640.db2.gz QKXYCUAYSDMLBL-UHFFFAOYSA-N 1 2 345.805 3.213 20 30 EGEDLO CC(C)C(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001317934316 1385574259 /nfs/dbraw/zinc/57/42/59/1385574259.db2.gz VNVGHHZIXPYZDS-QGZVFWFLSA-N 1 2 345.462 3.460 20 30 EGEDLO CC(C)C(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001317934316 1385574263 /nfs/dbraw/zinc/57/42/63/1385574263.db2.gz VNVGHHZIXPYZDS-QGZVFWFLSA-N 1 2 345.462 3.460 20 30 EGEDLO N#Cc1cc(Nc2cccc(OCC[NH+]3CCOCC3)c2)ccc1F ZINC001176615573 1385641380 /nfs/dbraw/zinc/64/13/80/1385641380.db2.gz LGSOPNZQPZOBGH-UHFFFAOYSA-N 1 2 341.386 3.152 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)CCc2scnc2C)C1 ZINC001318483392 1385714961 /nfs/dbraw/zinc/71/49/61/1385714961.db2.gz CMRWUMSDTDYYLJ-AWEZNQCLSA-N 1 2 341.908 3.059 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)CCc2scnc2C)C1 ZINC001318483392 1385714965 /nfs/dbraw/zinc/71/49/65/1385714965.db2.gz CMRWUMSDTDYYLJ-AWEZNQCLSA-N 1 2 341.908 3.059 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@@H+](Cc3cccc(CC)c3)[C@H]2C1 ZINC001176955403 1385753800 /nfs/dbraw/zinc/75/38/00/1385753800.db2.gz SNAFTIOWNOKMJS-PMACEKPBSA-N 1 2 342.483 3.017 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@H+](Cc3cccc(CC)c3)[C@H]2C1 ZINC001176955403 1385753813 /nfs/dbraw/zinc/75/38/13/1385753813.db2.gz SNAFTIOWNOKMJS-PMACEKPBSA-N 1 2 342.483 3.017 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]3OCC[N@@H+](CC=C(C)C)[C@H]3C2)CCCC1 ZINC001177161688 1385840563 /nfs/dbraw/zinc/84/05/63/1385840563.db2.gz FQWIWTVIUDMVAW-RBUKOAKNSA-N 1 2 346.515 3.391 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]3OCC[N@H+](CC=C(C)C)[C@H]3C2)CCCC1 ZINC001177161688 1385840565 /nfs/dbraw/zinc/84/05/65/1385840565.db2.gz FQWIWTVIUDMVAW-RBUKOAKNSA-N 1 2 346.515 3.391 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2nnc(C(C)(C)C)o2)[C@@H]1C ZINC001179384812 1386470236 /nfs/dbraw/zinc/47/02/36/1386470236.db2.gz XDPKPWXKXJVVND-KKUMJFAQSA-N 1 2 348.491 3.048 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)c2ccccc2C(F)(F)F)CC1 ZINC001180885509 1386891671 /nfs/dbraw/zinc/89/16/71/1386891671.db2.gz ZDIXWTDCUMUEBA-UHFFFAOYSA-N 1 2 340.389 3.313 20 30 EGEDLO C=CCC[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001336215726 1389038552 /nfs/dbraw/zinc/03/85/52/1389038552.db2.gz FEEIERNBPOLSCQ-OAHLLOKOSA-N 1 2 340.383 3.351 20 30 EGEDLO C=CCn1c([C@H]2C[C@H]2C)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001338930993 1389828141 /nfs/dbraw/zinc/82/81/41/1389828141.db2.gz ORFYUNJPSUVBGG-ZBFHGGJFSA-N 1 2 338.459 3.063 20 30 EGEDLO C=CCn1cnn(C[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)c1=S ZINC001339212986 1389945161 /nfs/dbraw/zinc/94/51/61/1389945161.db2.gz KMTNHLKVQNHUIV-QGZVFWFLSA-N 1 2 343.500 3.461 20 30 EGEDLO C=CCn1cnn(C[N@@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)c1=S ZINC001339212986 1389945163 /nfs/dbraw/zinc/94/51/63/1389945163.db2.gz KMTNHLKVQNHUIV-QGZVFWFLSA-N 1 2 343.500 3.461 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H]1C1CCC1 ZINC001339528096 1390057268 /nfs/dbraw/zinc/05/72/68/1390057268.db2.gz CDNQHLZDWDPICP-IAGOWNOFSA-N 1 2 329.492 3.390 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H]1C1CCC1 ZINC001339528096 1390057270 /nfs/dbraw/zinc/05/72/70/1390057270.db2.gz CDNQHLZDWDPICP-IAGOWNOFSA-N 1 2 329.492 3.390 20 30 EGEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@@H]1CCC ZINC001340329864 1390271944 /nfs/dbraw/zinc/27/19/44/1390271944.db2.gz LQKQWCUUGMEECC-DLBZAZTESA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@@H]1CCC ZINC001340329864 1390271946 /nfs/dbraw/zinc/27/19/46/1390271946.db2.gz LQKQWCUUGMEECC-DLBZAZTESA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCN(CCc1ccco1)c1nnc(C[NH+]2CCCCC2)n1CC ZINC001340417112 1390285288 /nfs/dbraw/zinc/28/52/88/1390285288.db2.gz VNWRFRSJYFHEQJ-UHFFFAOYSA-N 1 2 343.475 3.112 20 30 EGEDLO C=CCc1cc(C(=O)Nc2c(C)c[nH+]cc2C)cc(OC)c1OC ZINC001340809066 1390373213 /nfs/dbraw/zinc/37/32/13/1390373213.db2.gz BFOCACWOCYXPGV-UHFFFAOYSA-N 1 2 326.396 3.118 20 30 EGEDLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(C=NOC)cc2)n1 ZINC001334164963 1390492257 /nfs/dbraw/zinc/49/22/57/1390492257.db2.gz XEBWHTNTSMLXBM-UHFFFAOYSA-N 1 2 346.456 3.218 20 30 EGEDLO CC(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@@H](CC#N)C1 ZINC001343513176 1390719334 /nfs/dbraw/zinc/71/93/34/1390719334.db2.gz SDAJMDNVAPCSAF-KRWDZBQOSA-N 1 2 344.507 3.050 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)Cc1cccc(F)c1 ZINC001343554392 1390722345 /nfs/dbraw/zinc/72/23/45/1390722345.db2.gz RFOGETCFBIOBGO-QGZVFWFLSA-N 1 2 343.450 3.396 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N(C)Cc1cccc(F)c1 ZINC001343554392 1390722346 /nfs/dbraw/zinc/72/23/46/1390722346.db2.gz RFOGETCFBIOBGO-QGZVFWFLSA-N 1 2 343.450 3.396 20 30 EGEDLO C=CCC[C@@H]1CCCN1c1nnc([C@@H]2CCC[N@H+]2C)n1CC1CC1 ZINC001347967406 1391152092 /nfs/dbraw/zinc/15/20/92/1391152092.db2.gz VEMGDLSVAYEDFL-SJORKVTESA-N 1 2 329.492 3.390 20 30 EGEDLO C=CCC[C@@H]1CCCN1c1nnc([C@@H]2CCC[N@@H+]2C)n1CC1CC1 ZINC001347967406 1391152096 /nfs/dbraw/zinc/15/20/96/1391152096.db2.gz VEMGDLSVAYEDFL-SJORKVTESA-N 1 2 329.492 3.390 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@@H](CC)O[C@H](CC)C1 ZINC001351615508 1391657784 /nfs/dbraw/zinc/65/77/84/1391657784.db2.gz JQJGRROUIHIVMG-ZACQAIPSSA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@@H](CC)O[C@H](CC)C1 ZINC001351615508 1391657786 /nfs/dbraw/zinc/65/77/86/1391657786.db2.gz JQJGRROUIHIVMG-ZACQAIPSSA-N 1 2 347.507 3.015 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cc1cccc(Cl)c1F ZINC001481000488 1393080271 /nfs/dbraw/zinc/08/02/71/1393080271.db2.gz ANAMYPQCZBOLPT-UHFFFAOYSA-N 1 2 333.234 3.212 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cc1cccc(Cl)c1F ZINC001481000488 1393080273 /nfs/dbraw/zinc/08/02/73/1393080273.db2.gz ANAMYPQCZBOLPT-UHFFFAOYSA-N 1 2 333.234 3.212 20 30 EGEDLO CC(C)C(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001481535206 1394393161 /nfs/dbraw/zinc/39/31/61/1394393161.db2.gz PRIXXSYKGKPCNI-KRWDZBQOSA-N 1 2 345.462 3.460 20 30 EGEDLO CC(C)C(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001481535206 1394393168 /nfs/dbraw/zinc/39/31/68/1394393168.db2.gz PRIXXSYKGKPCNI-KRWDZBQOSA-N 1 2 345.462 3.460 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CSC(C)C)C[C@H]1C ZINC001484965272 1395601481 /nfs/dbraw/zinc/60/14/81/1395601481.db2.gz ABFUJNJOWBNQBP-OLZOCXBDSA-N 1 2 349.338 3.006 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CSC(C)C)C[C@H]1C ZINC001484965272 1395601483 /nfs/dbraw/zinc/60/14/83/1395601483.db2.gz ABFUJNJOWBNQBP-OLZOCXBDSA-N 1 2 349.338 3.006 20 30 EGEDLO CCC(CC)[C@H](C)C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001494568667 1396471398 /nfs/dbraw/zinc/47/13/98/1396471398.db2.gz SPEASFQSRIJHKB-HNNXBMFYSA-N 1 2 327.472 3.179 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1[nH]nc2ccccc21 ZINC001689911639 1404204587 /nfs/dbraw/zinc/20/45/87/1404204587.db2.gz JJJKYJJRINCIAA-BBRMVZONSA-N 1 2 346.862 3.288 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C1(c2ccccc2F)CCC1 ZINC001691047871 1404960662 /nfs/dbraw/zinc/96/06/62/1404960662.db2.gz NCDPYZRYHZZJFL-UHFFFAOYSA-N 1 2 338.854 3.438 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C1(c2ccccc2F)CCC1 ZINC001691047871 1404960664 /nfs/dbraw/zinc/96/06/64/1404960664.db2.gz NCDPYZRYHZZJFL-UHFFFAOYSA-N 1 2 338.854 3.438 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2sccc2Cl)C1 ZINC001732151861 1428395181 /nfs/dbraw/zinc/39/51/81/1428395181.db2.gz AAECBQALEMJKQY-OLZOCXBDSA-N 1 2 342.892 3.073 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2sccc2Cl)C1 ZINC001732151861 1428395185 /nfs/dbraw/zinc/39/51/85/1428395185.db2.gz AAECBQALEMJKQY-OLZOCXBDSA-N 1 2 342.892 3.073 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CCCc2ccccn2)C1 ZINC001732186263 1428435843 /nfs/dbraw/zinc/43/58/43/1428435843.db2.gz RPOGBSXGMVSLGE-QGZVFWFLSA-N 1 2 335.879 3.080 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCCc2ccccn2)C1 ZINC001732186263 1428435846 /nfs/dbraw/zinc/43/58/46/1428435846.db2.gz RPOGBSXGMVSLGE-QGZVFWFLSA-N 1 2 335.879 3.080 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCCc1ccc(F)cc1 ZINC001699461925 1412817553 /nfs/dbraw/zinc/81/75/53/1412817553.db2.gz YVOYBLNLVSCGKP-CQSZACIVSA-N 1 2 326.843 3.337 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCCc1ccc(F)cc1 ZINC001699461925 1412817558 /nfs/dbraw/zinc/81/75/58/1412817558.db2.gz YVOYBLNLVSCGKP-CQSZACIVSA-N 1 2 326.843 3.337 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001732599547 1428845162 /nfs/dbraw/zinc/84/51/62/1428845162.db2.gz ANWKDNYVYFFBKH-ZDUSSCGKSA-N 1 2 326.843 3.147 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001732599547 1428845169 /nfs/dbraw/zinc/84/51/69/1428845169.db2.gz ANWKDNYVYFFBKH-ZDUSSCGKSA-N 1 2 326.843 3.147 20 30 EGEDLO Cc1cc(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)c(F)cc1F ZINC001713456917 1418108364 /nfs/dbraw/zinc/10/83/64/1418108364.db2.gz GQJUUBRQLKUIIN-UHFFFAOYSA-N 1 2 343.377 3.007 20 30 EGEDLO Cc1cc(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)c(F)cc1F ZINC001713456917 1418108370 /nfs/dbraw/zinc/10/83/70/1418108370.db2.gz GQJUUBRQLKUIIN-UHFFFAOYSA-N 1 2 343.377 3.007 20 30 EGEDLO CCCC1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001713801359 1418616125 /nfs/dbraw/zinc/61/61/25/1418616125.db2.gz RKKMTDNAPVSLEP-KRWDZBQOSA-N 1 2 343.446 3.358 20 30 EGEDLO CCCC1(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001713801359 1418616126 /nfs/dbraw/zinc/61/61/26/1418616126.db2.gz RKKMTDNAPVSLEP-KRWDZBQOSA-N 1 2 343.446 3.358 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C(C)(C)c2ccc(CC)cc2)C1 ZINC001713923130 1418716044 /nfs/dbraw/zinc/71/60/44/1418716044.db2.gz XUAPENKXUYOUIN-UHFFFAOYSA-N 1 2 334.891 3.327 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)CCC2CCC2)C1 ZINC001714036988 1418825614 /nfs/dbraw/zinc/82/56/14/1418825614.db2.gz MFYJHBVURMPYFE-OAHLLOKOSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCC2CCC2)C1 ZINC001714036988 1418825617 /nfs/dbraw/zinc/82/56/17/1418825617.db2.gz MFYJHBVURMPYFE-OAHLLOKOSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CCc2cccc(F)c2F)C1 ZINC001715029811 1419762620 /nfs/dbraw/zinc/76/26/20/1419762620.db2.gz GNXCNJYVGORWNL-AWEZNQCLSA-N 1 2 342.817 3.183 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CCc2cccc(F)c2F)C1 ZINC001715029811 1419762623 /nfs/dbraw/zinc/76/26/23/1419762623.db2.gz GNXCNJYVGORWNL-AWEZNQCLSA-N 1 2 342.817 3.183 20 30 EGEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)CCC1CCC1 ZINC001715516949 1420202662 /nfs/dbraw/zinc/20/26/62/1420202662.db2.gz UZXYTRLXKWEKCT-UHFFFAOYSA-N 1 2 331.435 3.168 20 30 EGEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)CCC1CCC1 ZINC001715516949 1420202663 /nfs/dbraw/zinc/20/26/63/1420202663.db2.gz UZXYTRLXKWEKCT-UHFFFAOYSA-N 1 2 331.435 3.168 20 30 EGEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)C1CCCCC1 ZINC001715751896 1420325147 /nfs/dbraw/zinc/32/51/47/1420325147.db2.gz RIZMDRLORNUGRE-UHFFFAOYSA-N 1 2 331.435 3.168 20 30 EGEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)C1CCCCC1 ZINC001715751896 1420325150 /nfs/dbraw/zinc/32/51/50/1420325150.db2.gz RIZMDRLORNUGRE-UHFFFAOYSA-N 1 2 331.435 3.168 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1ccccc1OC(C)C ZINC001715980943 1420440159 /nfs/dbraw/zinc/44/01/59/1420440159.db2.gz DLDQRNSTORTHRE-UHFFFAOYSA-N 1 2 338.879 3.159 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1ccccc1OC(C)C ZINC001715980943 1420440161 /nfs/dbraw/zinc/44/01/61/1420440161.db2.gz DLDQRNSTORTHRE-UHFFFAOYSA-N 1 2 338.879 3.159 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(N(C)CCC)cc1 ZINC001722926393 1424259066 /nfs/dbraw/zinc/25/90/66/1424259066.db2.gz MBLJYCXKSUHSTL-OAHLLOKOSA-N 1 2 337.895 3.335 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(N(C)CCC)cc1 ZINC001722926393 1424259067 /nfs/dbraw/zinc/25/90/67/1424259067.db2.gz MBLJYCXKSUHSTL-OAHLLOKOSA-N 1 2 337.895 3.335 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)CC2CCCC2)C1 ZINC001724129706 1424680291 /nfs/dbraw/zinc/68/02/91/1424680291.db2.gz QTQUJRJNWDGNMT-OAHLLOKOSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)CC2CCCC2)C1 ZINC001724129706 1424680296 /nfs/dbraw/zinc/68/02/96/1424680296.db2.gz QTQUJRJNWDGNMT-OAHLLOKOSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)COc1c(C)cc(C)cc1C ZINC001725194804 1425745881 /nfs/dbraw/zinc/74/58/81/1425745881.db2.gz LFWDYESHUJZRJO-MRXNPFEDSA-N 1 2 338.879 3.180 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)COc1c(C)cc(C)cc1C ZINC001725194804 1425745885 /nfs/dbraw/zinc/74/58/85/1425745885.db2.gz LFWDYESHUJZRJO-MRXNPFEDSA-N 1 2 338.879 3.180 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)c1ccc(OC)cc1 ZINC001725194956 1425748301 /nfs/dbraw/zinc/74/83/01/1425748301.db2.gz LSAVLCQZWBCTNO-CQSZACIVSA-N 1 2 338.879 3.162 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C(C)(C)c1ccc(OC)cc1 ZINC001725194956 1425748308 /nfs/dbraw/zinc/74/83/08/1425748308.db2.gz LSAVLCQZWBCTNO-CQSZACIVSA-N 1 2 338.879 3.162 20 30 EGEDLO CC(C)C(C)(C)C(=O)N[C@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001725248138 1425867850 /nfs/dbraw/zinc/86/78/50/1425867850.db2.gz KQUMBRSRYDQYQW-CQSZACIVSA-N 1 2 345.462 3.316 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)c2nnc(C)s2)C1 ZINC001752783875 1440210181 /nfs/dbraw/zinc/21/01/81/1440210181.db2.gz QRXVDHDQWXGCLB-DZGCQCFKSA-N 1 2 336.505 3.092 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)c2nnc(C)s2)C1 ZINC001752783875 1440210182 /nfs/dbraw/zinc/21/01/82/1440210182.db2.gz QRXVDHDQWXGCLB-DZGCQCFKSA-N 1 2 336.505 3.092 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H]([N@@H+](C)[C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC001752988458 1440258745 /nfs/dbraw/zinc/25/87/45/1440258745.db2.gz LOUPPXOTCLWWJM-CABCVRRESA-N 1 2 348.491 3.317 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H]([N@H+](C)[C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC001752988458 1440258746 /nfs/dbraw/zinc/25/87/46/1440258746.db2.gz LOUPPXOTCLWWJM-CABCVRRESA-N 1 2 348.491 3.317 20 30 EGEDLO Cc1cc(Cl)ccc1C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001753062270 1440283849 /nfs/dbraw/zinc/28/38/49/1440283849.db2.gz ALBDBDMYNJGZKB-UHFFFAOYSA-N 1 2 341.842 3.382 20 30 EGEDLO Cc1cc(Cl)ccc1C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001753062270 1440283850 /nfs/dbraw/zinc/28/38/50/1440283850.db2.gz ALBDBDMYNJGZKB-UHFFFAOYSA-N 1 2 341.842 3.382 20 30 EGEDLO C=C1CCC(C(=O)NCC[N@@H+](C)Cc2nc3ccc(F)cc3o2)CC1 ZINC001753063333 1440284373 /nfs/dbraw/zinc/28/43/73/1440284373.db2.gz PVHFHOKOGPDYJO-UHFFFAOYSA-N 1 2 345.418 3.261 20 30 EGEDLO C=C1CCC(C(=O)NCC[N@H+](C)Cc2nc3ccc(F)cc3o2)CC1 ZINC001753063333 1440284374 /nfs/dbraw/zinc/28/43/74/1440284374.db2.gz PVHFHOKOGPDYJO-UHFFFAOYSA-N 1 2 345.418 3.261 20 30 EGEDLO C=CC(C)(C)CC(=O)NCC[N@@H+](CC)Cc1nc2ccccc2n1C ZINC001753082800 1440294833 /nfs/dbraw/zinc/29/48/33/1440294833.db2.gz RGXCUSCFCUIEPS-UHFFFAOYSA-N 1 2 342.487 3.114 20 30 EGEDLO C=CC(C)(C)CC(=O)NCC[N@H+](CC)Cc1nc2ccccc2n1C ZINC001753082800 1440294834 /nfs/dbraw/zinc/29/48/34/1440294834.db2.gz RGXCUSCFCUIEPS-UHFFFAOYSA-N 1 2 342.487 3.114 20 30 EGEDLO CC/C(C)=C\C(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001753152951 1440329225 /nfs/dbraw/zinc/32/92/25/1440329225.db2.gz KYFKFTMOVBWQET-UVTDQMKNSA-N 1 2 329.419 3.134 20 30 EGEDLO CC/C(C)=C\C(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001753152951 1440329226 /nfs/dbraw/zinc/32/92/26/1440329226.db2.gz KYFKFTMOVBWQET-UVTDQMKNSA-N 1 2 329.419 3.134 20 30 EGEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)CCc1ccccc1)C1CC1 ZINC001753162666 1440334871 /nfs/dbraw/zinc/33/48/71/1440334871.db2.gz OZLKPALMKHNAOY-UHFFFAOYSA-N 1 2 347.462 3.272 20 30 EGEDLO N#Cc1ccccc1C[N@H+](CCNC(=O)CCc1ccccc1)C1CC1 ZINC001753162666 1440334872 /nfs/dbraw/zinc/33/48/72/1440334872.db2.gz OZLKPALMKHNAOY-UHFFFAOYSA-N 1 2 347.462 3.272 20 30 EGEDLO CC(C)C(C)(C)C(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001753404727 1440391771 /nfs/dbraw/zinc/39/17/71/1440391771.db2.gz QCVVFXMJGJCDEZ-UHFFFAOYSA-N 1 2 346.902 3.422 20 30 EGEDLO CCC(CC)CC(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001753413234 1440393631 /nfs/dbraw/zinc/39/36/31/1440393631.db2.gz VVSPRHBJXLBLFU-UHFFFAOYSA-N 1 2 331.435 3.072 20 30 EGEDLO C=CCC1(C(=O)N(C)[C@@H]2CC[N@@H+]([C@@H](C)c3ncccn3)C2)CCCC1 ZINC001753450780 1440405881 /nfs/dbraw/zinc/40/58/81/1440405881.db2.gz UBGSKWQUWQIJFQ-DLBZAZTESA-N 1 2 342.487 3.207 20 30 EGEDLO C=CCC1(C(=O)N(C)[C@@H]2CC[N@H+]([C@@H](C)c3ncccn3)C2)CCCC1 ZINC001753450780 1440405882 /nfs/dbraw/zinc/40/58/82/1440405882.db2.gz UBGSKWQUWQIJFQ-DLBZAZTESA-N 1 2 342.487 3.207 20 30 EGEDLO CC#CCCCC(=O)N(CC)[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001753458065 1440409317 /nfs/dbraw/zinc/40/93/17/1440409317.db2.gz BGVQCZXJNPSPIB-QGZVFWFLSA-N 1 2 347.890 3.351 20 30 EGEDLO CC#CCCCC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001753458065 1440409318 /nfs/dbraw/zinc/40/93/18/1440409318.db2.gz BGVQCZXJNPSPIB-QGZVFWFLSA-N 1 2 347.890 3.351 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H](CC)[NH2+][C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC001753490299 1440419320 /nfs/dbraw/zinc/41/93/20/1440419320.db2.gz SKORHJFOGKHMPX-ZIAGYGMSSA-N 1 2 348.491 3.269 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1C[N@H+](Cc2cc3ccccc3o2)CCO1 ZINC001753649264 1440456090 /nfs/dbraw/zinc/45/60/90/1440456090.db2.gz UKVLQRKXUDUXOS-SFHVURJKSA-N 1 2 342.439 3.106 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1C[N@@H+](Cc2cc3ccccc3o2)CCO1 ZINC001753649264 1440456091 /nfs/dbraw/zinc/45/60/91/1440456091.db2.gz UKVLQRKXUDUXOS-SFHVURJKSA-N 1 2 342.439 3.106 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1C[N@H+](Cc2ccc(C)c(C)c2)CCO1 ZINC001753652386 1440456712 /nfs/dbraw/zinc/45/67/12/1440456712.db2.gz HBQZQTWFZGDVDR-PZJWPPBQSA-N 1 2 344.499 3.223 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)c(C)c2)CCO1 ZINC001753652386 1440456713 /nfs/dbraw/zinc/45/67/13/1440456713.db2.gz HBQZQTWFZGDVDR-PZJWPPBQSA-N 1 2 344.499 3.223 20 30 EGEDLO Cc1ccsc1C(=O)N(C)CC[N@H+](C)Cc1cc(F)ccc1C#N ZINC001753847663 1440505538 /nfs/dbraw/zinc/50/55/38/1440505538.db2.gz BLMJFXYHDQBYTH-UHFFFAOYSA-N 1 2 345.443 3.271 20 30 EGEDLO Cc1ccsc1C(=O)N(C)CC[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001753847663 1440505539 /nfs/dbraw/zinc/50/55/39/1440505539.db2.gz BLMJFXYHDQBYTH-UHFFFAOYSA-N 1 2 345.443 3.271 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1cccc(C)c1Cl ZINC001753857894 1440510006 /nfs/dbraw/zinc/51/00/06/1440510006.db2.gz FUIDFPFYIHROKR-UHFFFAOYSA-N 1 2 329.271 3.334 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1cccc(C)c1Cl ZINC001753857894 1440510007 /nfs/dbraw/zinc/51/00/07/1440510007.db2.gz FUIDFPFYIHROKR-UHFFFAOYSA-N 1 2 329.271 3.334 20 30 EGEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@@H]1CCC1(C)C ZINC001753861095 1440511602 /nfs/dbraw/zinc/51/16/02/1440511602.db2.gz TWJYPLPETKKCQM-INIZCTEOSA-N 1 2 331.435 3.024 20 30 EGEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@@H]1CCC1(C)C ZINC001753861095 1440511603 /nfs/dbraw/zinc/51/16/03/1440511603.db2.gz TWJYPLPETKKCQM-INIZCTEOSA-N 1 2 331.435 3.024 20 30 EGEDLO C=CCCC(=O)N[C@H](C)C[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC001754305452 1440570589 /nfs/dbraw/zinc/57/05/89/1440570589.db2.gz KBDJQYXNNYRVFO-OAHLLOKOSA-N 1 2 327.428 3.244 20 30 EGEDLO C=CCCC(=O)N[C@H](C)C[N@@H+](C)Cc1coc(-c2ccccc2)n1 ZINC001754305452 1440570590 /nfs/dbraw/zinc/57/05/90/1440570590.db2.gz KBDJQYXNNYRVFO-OAHLLOKOSA-N 1 2 327.428 3.244 20 30 EGEDLO CCC(C)(CC)C(=O)N[C@H](C)C[N@H+](C)Cc1cc(F)ccc1C#N ZINC001754334098 1440585634 /nfs/dbraw/zinc/58/56/34/1440585634.db2.gz YZECATPPBSZJOK-CQSZACIVSA-N 1 2 333.451 3.460 20 30 EGEDLO CCC(C)(CC)C(=O)N[C@H](C)C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001754334098 1440585635 /nfs/dbraw/zinc/58/56/35/1440585635.db2.gz YZECATPPBSZJOK-CQSZACIVSA-N 1 2 333.451 3.460 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N(C)C1C[NH+](CCOC2CCCCCC2)C1 ZINC001754580304 1440638401 /nfs/dbraw/zinc/63/84/01/1440638401.db2.gz VFIKGHRNMDNOSR-UHFFFAOYSA-N 1 2 336.520 3.471 20 30 EGEDLO C=CCC1(C(=O)N(C)C2C[NH+](Cc3ccc(OC)cc3)C2)CCCC1 ZINC001754588877 1440640540 /nfs/dbraw/zinc/64/05/40/1440640540.db2.gz BVVJSGXYGVLZKM-UHFFFAOYSA-N 1 2 342.483 3.474 20 30 EGEDLO C#CCN(C(=O)C=C(CC)CC)C1CC[NH+](Cc2ncc(C)o2)CC1 ZINC001754637097 1440648664 /nfs/dbraw/zinc/64/86/64/1440648664.db2.gz YDCSLNHQYQORIR-UHFFFAOYSA-N 1 2 343.471 3.156 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)c2cccc(OC)c2)C1 ZINC001754685249 1440664757 /nfs/dbraw/zinc/66/47/57/1440664757.db2.gz HOIWGWBCVZZZLP-KBXCAEBGSA-N 1 2 336.863 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)c2cccc(OC)c2)C1 ZINC001754685249 1440664758 /nfs/dbraw/zinc/66/47/58/1440664758.db2.gz HOIWGWBCVZZZLP-KBXCAEBGSA-N 1 2 336.863 3.132 20 30 EGEDLO C=CCCC(=O)N1CC2(C1)CC[NH+](Cc1nnc(C(C)C)s1)CC2 ZINC001754958954 1440717111 /nfs/dbraw/zinc/71/71/11/1440717111.db2.gz NYXKPXJVGUKVGI-UHFFFAOYSA-N 1 2 348.516 3.052 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@H]1COCC[N@H+]1Cc1ccc(C)cc1C ZINC001754967577 1440718254 /nfs/dbraw/zinc/71/82/54/1440718254.db2.gz KUDWJQMYFDMXLJ-IBGZPJMESA-N 1 2 344.499 3.223 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@H]1COCC[N@@H+]1Cc1ccc(C)cc1C ZINC001754967577 1440718255 /nfs/dbraw/zinc/71/82/55/1440718255.db2.gz KUDWJQMYFDMXLJ-IBGZPJMESA-N 1 2 344.499 3.223 20 30 EGEDLO C=CCN1Cc2ccc(CNC(=O)[C@@H](c3ccccc3)[NH+](C)C)cc2C1 ZINC001755101684 1440752896 /nfs/dbraw/zinc/75/28/96/1440752896.db2.gz YLPNJISLEIBIFZ-OAQYLSRUSA-N 1 2 349.478 3.107 20 30 EGEDLO C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001755183530 1440772052 /nfs/dbraw/zinc/77/20/52/1440772052.db2.gz LWHMLLNLYIZZFY-CQSZACIVSA-N 1 2 338.389 3.414 20 30 EGEDLO C=C(C)CC[N@H+](CC)CC1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001755183530 1440772053 /nfs/dbraw/zinc/77/20/53/1440772053.db2.gz LWHMLLNLYIZZFY-CQSZACIVSA-N 1 2 338.389 3.414 20 30 EGEDLO C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001755183530 1440772054 /nfs/dbraw/zinc/77/20/54/1440772054.db2.gz LWHMLLNLYIZZFY-CQSZACIVSA-N 1 2 338.389 3.414 20 30 EGEDLO C=C(C)CC[N@H+](CC)CC1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001755183530 1440772055 /nfs/dbraw/zinc/77/20/55/1440772055.db2.gz LWHMLLNLYIZZFY-CQSZACIVSA-N 1 2 338.389 3.414 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H](C)CC ZINC001755191177 1440774899 /nfs/dbraw/zinc/77/48/99/1440774899.db2.gz GZXQJMAAZDNGMK-JSGCOSHPSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H](C)CC ZINC001755191177 1440774900 /nfs/dbraw/zinc/77/49/00/1440774900.db2.gz GZXQJMAAZDNGMK-JSGCOSHPSA-N 1 2 331.298 3.254 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1csc(C2CC2)n1 ZINC001755192445 1440775227 /nfs/dbraw/zinc/77/52/27/1440775227.db2.gz FVQZVWHVEUHZPP-QGZVFWFLSA-N 1 2 345.512 3.103 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1csc(C2CC2)n1 ZINC001755192445 1440775228 /nfs/dbraw/zinc/77/52/28/1440775228.db2.gz FVQZVWHVEUHZPP-QGZVFWFLSA-N 1 2 345.512 3.103 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@H]2C[N@@H+](C)[C@H](C)c2nc(C)no2)CCC1 ZINC001755198845 1440778387 /nfs/dbraw/zinc/77/83/87/1440778387.db2.gz JBAMSZZZCDUNAR-ZBFHGGJFSA-N 1 2 346.475 3.108 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@H]2C[N@H+](C)[C@H](C)c2nc(C)no2)CCC1 ZINC001755198845 1440778388 /nfs/dbraw/zinc/77/83/88/1440778388.db2.gz JBAMSZZZCDUNAR-ZBFHGGJFSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1C[N@H+](Cc2cccc(Cl)n2)CC1(C)C ZINC001755412219 1440846761 /nfs/dbraw/zinc/84/67/61/1440846761.db2.gz MHKJEBRQVLWWKD-HNNXBMFYSA-N 1 2 335.879 3.418 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1C[N@@H+](Cc2cccc(Cl)n2)CC1(C)C ZINC001755412219 1440846762 /nfs/dbraw/zinc/84/67/62/1440846762.db2.gz MHKJEBRQVLWWKD-HNNXBMFYSA-N 1 2 335.879 3.418 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H](NC(=O)CCCC#CC)[C@H]1C ZINC001755717295 1440905712 /nfs/dbraw/zinc/90/57/12/1440905712.db2.gz ROGKTWFKLDEDFK-CABCVRRESA-N 1 2 341.293 3.058 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)CCCC#CC)[C@H]1C ZINC001755717295 1440905713 /nfs/dbraw/zinc/90/57/13/1440905713.db2.gz ROGKTWFKLDEDFK-CABCVRRESA-N 1 2 341.293 3.058 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2F)[C@@H]1C ZINC001755718221 1440906207 /nfs/dbraw/zinc/90/62/07/1440906207.db2.gz KRXAYAKRLPNSAP-RDTXWAMCSA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2F)[C@@H]1C ZINC001755718221 1440906208 /nfs/dbraw/zinc/90/62/08/1440906208.db2.gz KRXAYAKRLPNSAP-RDTXWAMCSA-N 1 2 334.410 3.093 20 30 EGEDLO C=C(Cl)CN(C)CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001755810794 1440920214 /nfs/dbraw/zinc/92/02/14/1440920214.db2.gz OLXKRBIUHFGYLV-UHFFFAOYSA-N 1 2 348.878 3.178 20 30 EGEDLO C=CCC[C@H](C)[NH2+]C[C@H](NC(=O)Cc1ccc(F)cn1)C(C)(C)C ZINC001755826472 1440927453 /nfs/dbraw/zinc/92/74/53/1440927453.db2.gz QVODJFQIKCWDNJ-YOEHRIQHSA-N 1 2 335.467 3.238 20 30 EGEDLO C=CC[NH+]1CCN(C(F)(F)c2cc3cc[nH]c3c(Cl)n2)CC1 ZINC001165032175 721869702 /nfs/dbraw/zinc/86/97/02/721869702.db2.gz KOFMOEFNJICIIY-UHFFFAOYSA-N 1 2 326.778 3.069 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ncccc3C(F)(F)F)C2)nc1 ZINC000368336230 168344094 /nfs/dbraw/zinc/34/40/94/168344094.db2.gz LXDRJRFKUMSCNW-CYBMUJFWSA-N 1 2 348.328 3.020 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ncccc3C(F)(F)F)C2)nc1 ZINC000368336230 168344098 /nfs/dbraw/zinc/34/40/98/168344098.db2.gz LXDRJRFKUMSCNW-CYBMUJFWSA-N 1 2 348.328 3.020 20 30 EGEDLO N#Cc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000021870216 202072873 /nfs/dbraw/zinc/07/28/73/202072873.db2.gz YRCHYICUDPXHDU-QPJJXVBHSA-N 1 2 331.419 3.029 20 30 EGEDLO N#CCC[C@H](C#N)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000032514435 202226121 /nfs/dbraw/zinc/22/61/21/202226121.db2.gz HLENHQQPESXTDA-CQSZACIVSA-N 1 2 336.361 3.271 20 30 EGEDLO C=CC[NH+](CC=C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000078636101 201189026 /nfs/dbraw/zinc/18/90/26/201189026.db2.gz FYCJDFQKRWHXEJ-INIZCTEOSA-N 1 2 339.395 3.224 20 30 EGEDLO C=CC[NH+](CC=C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000078636105 201189741 /nfs/dbraw/zinc/18/97/41/201189741.db2.gz FYCJDFQKRWHXEJ-MRXNPFEDSA-N 1 2 339.395 3.224 20 30 EGEDLO C=C(C)[C@H](CC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1)OCC ZINC000270066498 201235419 /nfs/dbraw/zinc/23/54/19/201235419.db2.gz WEEMUONDOSRLJY-WMZOPIPTSA-N 1 2 345.418 3.136 20 30 EGEDLO C=C(C)[C@H](CC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C)OCC ZINC000270073205 201235473 /nfs/dbraw/zinc/23/54/73/201235473.db2.gz SIBTUBLAWHBIBU-HOTGVXAUSA-N 1 2 340.414 3.055 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](COC)c1ccco1 ZINC000273333762 201256726 /nfs/dbraw/zinc/25/67/26/201256726.db2.gz CODREJZFGISIOD-GDBMZVCRSA-N 1 2 348.468 3.222 20 30 EGEDLO C#CCC1(C(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)CCCCC1 ZINC000276655890 201297248 /nfs/dbraw/zinc/29/72/48/201297248.db2.gz NCQFYLIPGPWSFE-UHFFFAOYSA-N 1 2 345.512 3.070 20 30 EGEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000277075737 201300376 /nfs/dbraw/zinc/30/03/76/201300376.db2.gz XNGPJCURMBFJCZ-OAHLLOKOSA-N 1 2 339.464 3.266 20 30 EGEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000277075737 201300381 /nfs/dbraw/zinc/30/03/81/201300381.db2.gz XNGPJCURMBFJCZ-OAHLLOKOSA-N 1 2 339.464 3.266 20 30 EGEDLO C=CCCN(C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000276378143 201293704 /nfs/dbraw/zinc/29/37/04/201293704.db2.gz YNUHRJIUMIQJSV-IYBDPMFKSA-N 1 2 331.460 3.336 20 30 EGEDLO C=CCCN(C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000276378143 201293705 /nfs/dbraw/zinc/29/37/05/201293705.db2.gz YNUHRJIUMIQJSV-IYBDPMFKSA-N 1 2 331.460 3.336 20 30 EGEDLO C=CC[N@@H+](CCCCCS(=O)(=O)CC)Cc1ccccc1F ZINC000276402339 201295074 /nfs/dbraw/zinc/29/50/74/201295074.db2.gz CJRNZDQDFSGJAH-UHFFFAOYSA-N 1 2 327.465 3.419 20 30 EGEDLO C=CC[N@H+](CCCCCS(=O)(=O)CC)Cc1ccccc1F ZINC000276402339 201295076 /nfs/dbraw/zinc/29/50/76/201295076.db2.gz CJRNZDQDFSGJAH-UHFFFAOYSA-N 1 2 327.465 3.419 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(=O)oc3c(C)c(C)ccc23)n1 ZINC000279670866 201319196 /nfs/dbraw/zinc/31/91/96/201319196.db2.gz FFEOGWCDLJHVGA-UHFFFAOYSA-N 1 2 349.434 3.262 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(=O)oc3c(C)c(C)ccc23)n1 ZINC000279670866 201319199 /nfs/dbraw/zinc/31/91/99/201319199.db2.gz FFEOGWCDLJHVGA-UHFFFAOYSA-N 1 2 349.434 3.262 20 30 EGEDLO C=C(C)C[N@@H+](Cc1csc(CC(=O)N(C)C)n1)Cc1ccccc1 ZINC000279385896 201316436 /nfs/dbraw/zinc/31/64/36/201316436.db2.gz TWPAMXICSZNXFP-UHFFFAOYSA-N 1 2 343.496 3.352 20 30 EGEDLO C=C(C)C[N@H+](Cc1csc(CC(=O)N(C)C)n1)Cc1ccccc1 ZINC000279385896 201316439 /nfs/dbraw/zinc/31/64/39/201316439.db2.gz TWPAMXICSZNXFP-UHFFFAOYSA-N 1 2 343.496 3.352 20 30 EGEDLO C=CCC[C@H](NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000279492707 201318335 /nfs/dbraw/zinc/31/83/35/201318335.db2.gz NKFQNOVZGNZCOS-MJGOQNOKSA-N 1 2 345.487 3.056 20 30 EGEDLO Cn1c2ccc(NC(=O)COc3ccc(C#N)cc3)cc2[nH+]c1C1CC1 ZINC000132119265 223302142 /nfs/dbraw/zinc/30/21/42/223302142.db2.gz IDTIYKBYJFZTAK-UHFFFAOYSA-N 1 2 346.390 3.340 20 30 EGEDLO Cc1cccn2cc(CC(=O)Nc3sc4c(c3C#N)CCC4)[nH+]c12 ZINC000069443166 203002240 /nfs/dbraw/zinc/00/22/40/203002240.db2.gz QKENLUJXTGPAHE-UHFFFAOYSA-N 1 2 336.420 3.246 20 30 EGEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263938300 245880024 /nfs/dbraw/zinc/88/00/24/245880024.db2.gz OVMHDFDBZHCYST-AWEZNQCLSA-N 1 2 340.431 3.249 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(OC2CCCC2)CC1 ZINC000177031449 207286308 /nfs/dbraw/zinc/28/63/08/207286308.db2.gz SPYPEHNQTLWFKY-LJQANCHMSA-N 1 2 342.439 3.196 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000337860913 141068868 /nfs/dbraw/zinc/06/88/68/141068868.db2.gz BDYWHNQBEZRIAE-GOSISDBHSA-N 1 2 348.381 3.259 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000338131055 141099151 /nfs/dbraw/zinc/09/91/51/141099151.db2.gz GJKVDXNNRLPYFX-RMKNXTFCSA-N 1 2 345.446 3.338 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000338140491 141101226 /nfs/dbraw/zinc/10/12/26/141101226.db2.gz MENYXDSUHISKLP-UHFFFAOYSA-N 1 2 344.418 3.236 20 30 EGEDLO N#Cc1cccc(F)c1CC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000350680310 141259989 /nfs/dbraw/zinc/25/99/89/141259989.db2.gz CSHKHFJZHOEQMW-UHFFFAOYSA-N 1 2 338.317 3.203 20 30 EGEDLO Cn1cc([C@H]([NH2+]Cc2ccc(C#N)cc2F)c2ccc(F)cc2)cn1 ZINC000184589682 144095204 /nfs/dbraw/zinc/09/52/04/144095204.db2.gz LFTDIRKBYGEBOE-LJQANCHMSA-N 1 2 338.361 3.449 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000186485647 144134714 /nfs/dbraw/zinc/13/47/14/144134714.db2.gz KUGXMXCKSXVKBA-UHFFFAOYSA-N 1 2 327.815 3.239 20 30 EGEDLO COC(=O)c1ccc([C@@H](C)[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)o1 ZINC000341120844 155171653 /nfs/dbraw/zinc/17/16/53/155171653.db2.gz IQZWMNWRNAMOQP-FZKQIMNGSA-N 1 2 340.379 3.072 20 30 EGEDLO COC(=O)c1ccc([C@@H](C)[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)o1 ZINC000341120844 155171655 /nfs/dbraw/zinc/17/16/55/155171655.db2.gz IQZWMNWRNAMOQP-FZKQIMNGSA-N 1 2 340.379 3.072 20 30 EGEDLO Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccc(C#N)cc3)CC2)cc1 ZINC000116882690 152079123 /nfs/dbraw/zinc/07/91/23/152079123.db2.gz WMYSJRDYXQBRGT-UHFFFAOYSA-N 1 2 349.434 3.349 20 30 EGEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000337436124 154351920 /nfs/dbraw/zinc/35/19/20/154351920.db2.gz HPBCEZNDDLZBRW-HNNXBMFYSA-N 1 2 339.414 3.349 20 30 EGEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000337436124 154351922 /nfs/dbraw/zinc/35/19/22/154351922.db2.gz HPBCEZNDDLZBRW-HNNXBMFYSA-N 1 2 339.414 3.349 20 30 EGEDLO CC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1cccc(F)c1 ZINC000097027541 162045525 /nfs/dbraw/zinc/04/55/25/162045525.db2.gz HCNZDZDVMZBUDM-UHFFFAOYSA-N 1 2 329.375 3.368 20 30 EGEDLO CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1cccc(F)c1 ZINC000097027541 162045527 /nfs/dbraw/zinc/04/55/27/162045527.db2.gz HCNZDZDVMZBUDM-UHFFFAOYSA-N 1 2 329.375 3.368 20 30 EGEDLO Cn1cc[nH+]c1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000344118341 164107984 /nfs/dbraw/zinc/10/79/84/164107984.db2.gz RQOMVXWHUYXSRU-UHFFFAOYSA-N 1 2 347.378 3.406 20 30 EGEDLO Cc1ccc(C(=O)Nc2ccncc2C#N)cc1Oc1cc[nH+]cc1 ZINC000344371391 164165902 /nfs/dbraw/zinc/16/59/02/164165902.db2.gz HUHZASXTNWYHRW-UHFFFAOYSA-N 1 2 330.347 3.123 20 30 EGEDLO N#Cc1ccc(NC(=O)NCc2cn3ccccc3[nH+]2)c(Cl)c1 ZINC000359350518 167133408 /nfs/dbraw/zinc/13/34/08/167133408.db2.gz YUZIDVMMJVCTTB-UHFFFAOYSA-N 1 2 325.759 3.181 20 30 EGEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(C#N)cc1 ZINC000367672187 168257301 /nfs/dbraw/zinc/25/73/01/168257301.db2.gz MJHMPTWDFXXVHU-CYBMUJFWSA-N 1 2 329.363 3.331 20 30 EGEDLO Cc1cc2[nH+]cn(C[C@H](O)COc3ccc(C#N)c(C)c3)c2cc1C ZINC000434641799 269916377 /nfs/dbraw/zinc/91/63/77/269916377.db2.gz ZILBWADTRXMZKI-KRWDZBQOSA-N 1 2 335.407 3.273 20 30 EGEDLO N#Cc1ccc(F)c(CNc2[nH+]cnc3c2cnn3-c2ccccc2)c1 ZINC000301467215 270043985 /nfs/dbraw/zinc/04/39/85/270043985.db2.gz MGCDKXFHMIRFLR-UHFFFAOYSA-N 1 2 344.353 3.438 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c1F ZINC000411975308 270046708 /nfs/dbraw/zinc/04/67/08/270046708.db2.gz BJLZTTBHZDUUST-HXUWFJFHSA-N 1 2 336.366 3.307 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c1F ZINC000411975308 270046710 /nfs/dbraw/zinc/04/67/10/270046710.db2.gz BJLZTTBHZDUUST-HXUWFJFHSA-N 1 2 336.366 3.307 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c1 ZINC000411989139 270046748 /nfs/dbraw/zinc/04/67/48/270046748.db2.gz RCIZBDGYKPXJET-FQEVSTJZSA-N 1 2 336.366 3.307 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c1 ZINC000411989139 270046750 /nfs/dbraw/zinc/04/67/50/270046750.db2.gz RCIZBDGYKPXJET-FQEVSTJZSA-N 1 2 336.366 3.307 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000479104513 270055861 /nfs/dbraw/zinc/05/58/61/270055861.db2.gz RIMBJZXNNWRKHL-KRWDZBQOSA-N 1 2 339.826 3.467 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000479104513 270055862 /nfs/dbraw/zinc/05/58/62/270055862.db2.gz RIMBJZXNNWRKHL-KRWDZBQOSA-N 1 2 339.826 3.467 20 30 EGEDLO C[C@@H]1CN(c2ccc(NCc3ccc(C#N)cc3F)c[nH+]2)C[C@H](C)O1 ZINC000269468838 267063457 /nfs/dbraw/zinc/06/34/57/267063457.db2.gz ZQYLSVQWFILLQP-OKILXGFUSA-N 1 2 340.402 3.318 20 30 EGEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(F)c(Cl)c1 ZINC000433267048 267298769 /nfs/dbraw/zinc/29/87/69/267298769.db2.gz CKTCLYBDGUXROM-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(F)c(Cl)c1 ZINC000433267048 267298772 /nfs/dbraw/zinc/29/87/72/267298772.db2.gz CKTCLYBDGUXROM-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO Cc1cc(C#N)nc(N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000288211441 267315162 /nfs/dbraw/zinc/31/51/62/267315162.db2.gz DDQLMGGDQBLNCJ-CQSZACIVSA-N 1 2 341.846 3.193 20 30 EGEDLO C[N@H+](Cc1ccc(F)c(Cl)c1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000433265464 267317157 /nfs/dbraw/zinc/31/71/57/267317157.db2.gz KMDBJXXHVHGKNY-INIZCTEOSA-N 1 2 331.778 3.009 20 30 EGEDLO C[N@@H+](Cc1ccc(F)c(Cl)c1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000433265464 267317159 /nfs/dbraw/zinc/31/71/59/267317159.db2.gz KMDBJXXHVHGKNY-INIZCTEOSA-N 1 2 331.778 3.009 20 30 EGEDLO N#Cc1ccc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000272719166 268028782 /nfs/dbraw/zinc/02/87/82/268028782.db2.gz ZDJGNOWBPPPICH-GOSISDBHSA-N 1 2 346.390 3.182 20 30 EGEDLO N#Cc1ccc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000272719166 268028786 /nfs/dbraw/zinc/02/87/86/268028786.db2.gz ZDJGNOWBPPPICH-GOSISDBHSA-N 1 2 346.390 3.182 20 30 EGEDLO N#Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000298735277 268148285 /nfs/dbraw/zinc/14/82/85/268148285.db2.gz OJFWXUBWYOUOLL-UHFFFAOYSA-N 1 2 335.411 3.265 20 30 EGEDLO N#Cc1cccc(/C=C\C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000490982203 268268882 /nfs/dbraw/zinc/26/88/82/268268882.db2.gz KBCAHZUUYGTUSX-FPLPWBNLSA-N 1 2 342.402 3.133 20 30 EGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)/C=C/c1ccc(C#N)cc1)C2 ZINC000264905608 275760883 /nfs/dbraw/zinc/76/08/83/275760883.db2.gz LMBLJIGWSAJIEM-CMDGGOBGSA-N 1 2 334.423 3.013 20 30 EGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)CCc1ccc(C#N)cc1 ZINC000377225955 281653593 /nfs/dbraw/zinc/65/35/93/281653593.db2.gz YLLDSCJIDUYIJG-GOSISDBHSA-N 1 2 336.439 3.461 20 30 EGEDLO Cn1cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c(C(C)(C)C)n1 ZINC000371415394 294236651 /nfs/dbraw/zinc/23/66/51/294236651.db2.gz BYRWBNAPNKDDHM-SFHVURJKSA-N 1 2 338.455 3.163 20 30 EGEDLO Cn1cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c(C(C)(C)C)n1 ZINC000371415394 294236655 /nfs/dbraw/zinc/23/66/55/294236655.db2.gz BYRWBNAPNKDDHM-SFHVURJKSA-N 1 2 338.455 3.163 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)C1CC1 ZINC000353356650 302991052 /nfs/dbraw/zinc/99/10/52/302991052.db2.gz SWLVGYHPDUEMRM-HNNXBMFYSA-N 1 2 340.431 3.121 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCOC3(CCCCC3)C2)cc1Cl ZINC000072716698 307381798 /nfs/dbraw/zinc/38/17/98/307381798.db2.gz PDQKJJANKLNWET-UHFFFAOYSA-N 1 2 347.846 3.185 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCOC3(CCCCC3)C2)cc1Cl ZINC000072716698 307381800 /nfs/dbraw/zinc/38/18/00/307381800.db2.gz PDQKJJANKLNWET-UHFFFAOYSA-N 1 2 347.846 3.185 20 30 EGEDLO N#Cc1cccc(Cl)c1N1CC[NH+](CCOc2ccccc2)CC1 ZINC000303491093 308753228 /nfs/dbraw/zinc/75/32/28/308753228.db2.gz PYTMWVNYCRCWSY-UHFFFAOYSA-N 1 2 341.842 3.413 20 30 EGEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000072972961 454373835 /nfs/dbraw/zinc/37/38/35/454373835.db2.gz VPPMKBIZOKWQCD-NSHDSACASA-N 1 2 328.243 3.186 20 30 EGEDLO C[C@H]([NH2+]CCOc1cccc(C#N)c1)c1noc(Cc2ccccc2)n1 ZINC000543544087 314635494 /nfs/dbraw/zinc/63/54/94/314635494.db2.gz NCKWULDASWPJRX-HNNXBMFYSA-N 1 2 348.406 3.262 20 30 EGEDLO N#Cc1c(NCc2ccc(N3CCCCC3)[nH+]c2)nc2ccccn21 ZINC000543902726 314662829 /nfs/dbraw/zinc/66/28/29/314662829.db2.gz UYPDDGSMYWKIIL-UHFFFAOYSA-N 1 2 332.411 3.203 20 30 EGEDLO C[N@H+](CC(C)(C)CCC#N)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000092069545 454514456 /nfs/dbraw/zinc/51/44/56/454514456.db2.gz HOINHQOPWMHYKC-AWEZNQCLSA-N 1 2 340.876 3.430 20 30 EGEDLO C[N@@H+](CC(C)(C)CCC#N)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000092069545 454514461 /nfs/dbraw/zinc/51/44/61/454514461.db2.gz HOINHQOPWMHYKC-AWEZNQCLSA-N 1 2 340.876 3.430 20 30 EGEDLO Cn1c2ccc(Cl)cc2[nH+]c1Cn1cc(C#N)c(=O)c2ccccc21 ZINC000171554581 323240427 /nfs/dbraw/zinc/24/04/27/323240427.db2.gz VFXYWMFQOGMIBA-UHFFFAOYSA-N 1 2 348.793 3.462 20 30 EGEDLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)s1 ZINC000185032577 323685421 /nfs/dbraw/zinc/68/54/21/323685421.db2.gz RBJRFNVTSRKAMM-JTQLQIEISA-N 1 2 334.470 3.291 20 30 EGEDLO N#Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1Cl ZINC000350184023 324060406 /nfs/dbraw/zinc/06/04/06/324060406.db2.gz RPPGWKGPAGGTHI-DZGCQCFKSA-N 1 2 344.802 3.187 20 30 EGEDLO N#Cc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1Cl ZINC000350184023 324060410 /nfs/dbraw/zinc/06/04/10/324060410.db2.gz RPPGWKGPAGGTHI-DZGCQCFKSA-N 1 2 344.802 3.187 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000360129091 457268254 /nfs/dbraw/zinc/26/82/54/457268254.db2.gz CABDWMKJTNDKGV-KGLIPLIRSA-N 1 2 332.753 3.489 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000360129091 457268262 /nfs/dbraw/zinc/26/82/62/457268262.db2.gz CABDWMKJTNDKGV-KGLIPLIRSA-N 1 2 332.753 3.489 20 30 EGEDLO C=CCSCCNC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000555622773 458907524 /nfs/dbraw/zinc/90/75/24/458907524.db2.gz YBWBYBZTKOSHRV-UHFFFAOYSA-N 1 2 326.893 3.197 20 30 EGEDLO C=CCSCCNC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000555622773 458907529 /nfs/dbraw/zinc/90/75/29/458907529.db2.gz YBWBYBZTKOSHRV-UHFFFAOYSA-N 1 2 326.893 3.197 20 30 EGEDLO C[C@@]1(C#N)CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000612166328 460559420 /nfs/dbraw/zinc/55/94/20/460559420.db2.gz CCGWJYVEYNBYQE-BBRMVZONSA-N 1 2 343.254 3.359 20 30 EGEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000612166328 460559424 /nfs/dbraw/zinc/55/94/24/460559424.db2.gz CCGWJYVEYNBYQE-BBRMVZONSA-N 1 2 343.254 3.359 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC000009908766 453264321 /nfs/dbraw/zinc/26/43/21/453264321.db2.gz ZOPVWDTWWBJFGX-KRWDZBQOSA-N 1 2 333.351 3.401 20 30 EGEDLO C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccco1 ZINC000009961493 453268357 /nfs/dbraw/zinc/26/83/57/453268357.db2.gz NWBMVPUCYUAWFL-UHFFFAOYSA-N 1 2 331.803 3.312 20 30 EGEDLO C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccco1 ZINC000009961493 453268364 /nfs/dbraw/zinc/26/83/64/453268364.db2.gz NWBMVPUCYUAWFL-UHFFFAOYSA-N 1 2 331.803 3.312 20 30 EGEDLO C[C@H]([NH2+][C@@H](C)c1nccs1)C(=O)N(CCC#N)c1ccccc1 ZINC000174063645 455355538 /nfs/dbraw/zinc/35/55/38/455355538.db2.gz XYIMEYCIPQQZAK-KBPBESRZSA-N 1 2 328.441 3.129 20 30 EGEDLO C=CCOc1ccccc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000024442195 453733789 /nfs/dbraw/zinc/73/37/89/453733789.db2.gz CPQRGTIIAIOTOU-UHFFFAOYSA-N 1 2 337.423 3.177 20 30 EGEDLO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(F)cc1F ZINC000024942958 453751869 /nfs/dbraw/zinc/75/18/69/453751869.db2.gz RQCWEMXHFKVTEQ-UHFFFAOYSA-N 1 2 343.377 3.343 20 30 EGEDLO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(F)cc1F ZINC000024942958 453751872 /nfs/dbraw/zinc/75/18/72/453751872.db2.gz RQCWEMXHFKVTEQ-UHFFFAOYSA-N 1 2 343.377 3.343 20 30 EGEDLO CCCc1[nH+]c2ccccc2n1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000025866057 453788374 /nfs/dbraw/zinc/78/83/74/453788374.db2.gz QUIBYCZSVJOHRI-KRWDZBQOSA-N 1 2 349.434 3.495 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(F)c2)c(C#N)c1C ZINC000026194113 453794469 /nfs/dbraw/zinc/79/44/69/453794469.db2.gz YCEKFFPVCIAJPX-GFCCVEGCSA-N 1 2 329.375 3.366 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(F)c2)c(C#N)c1C ZINC000026194113 453794472 /nfs/dbraw/zinc/79/44/72/453794472.db2.gz YCEKFFPVCIAJPX-GFCCVEGCSA-N 1 2 329.375 3.366 20 30 EGEDLO C#CC[N@@H+](CC(=O)Nc1cccnc1Cl)[C@@H]1CCc2ccccc21 ZINC000052845810 453847035 /nfs/dbraw/zinc/84/70/35/453847035.db2.gz LEPPNHHKXYUZQA-QGZVFWFLSA-N 1 2 339.826 3.296 20 30 EGEDLO C#CC[N@H+](CC(=O)Nc1cccnc1Cl)[C@@H]1CCc2ccccc21 ZINC000052845810 453847038 /nfs/dbraw/zinc/84/70/38/453847038.db2.gz LEPPNHHKXYUZQA-QGZVFWFLSA-N 1 2 339.826 3.296 20 30 EGEDLO C[C@@H](c1cc(F)ccc1F)[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000053125644 453859890 /nfs/dbraw/zinc/85/98/90/453859890.db2.gz HCKMSCXGJALTLO-LBPRGKRZSA-N 1 2 329.350 3.468 20 30 EGEDLO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000053125644 453859895 /nfs/dbraw/zinc/85/98/95/453859895.db2.gz HCKMSCXGJALTLO-LBPRGKRZSA-N 1 2 329.350 3.468 20 30 EGEDLO N#Cc1ccc(OCC[N@@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000066847296 453879457 /nfs/dbraw/zinc/87/94/57/453879457.db2.gz LLSGRDRHJRZLOK-LJQANCHMSA-N 1 2 326.371 3.150 20 30 EGEDLO N#Cc1ccc(OCC[N@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000066847296 453879460 /nfs/dbraw/zinc/87/94/60/453879460.db2.gz LLSGRDRHJRZLOK-LJQANCHMSA-N 1 2 326.371 3.150 20 30 EGEDLO COc1cccc(NC(=O)CC[N@H+](CCC#N)Cc2ccco2)c1 ZINC000081518058 453881459 /nfs/dbraw/zinc/88/14/59/453881459.db2.gz WRJCDSCMMUTIJQ-UHFFFAOYSA-N 1 2 327.384 3.033 20 30 EGEDLO COc1cccc(NC(=O)CC[N@@H+](CCC#N)Cc2ccco2)c1 ZINC000081518058 453881462 /nfs/dbraw/zinc/88/14/62/453881462.db2.gz WRJCDSCMMUTIJQ-UHFFFAOYSA-N 1 2 327.384 3.033 20 30 EGEDLO C=CCN(CC=C)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000054008280 453904955 /nfs/dbraw/zinc/90/49/55/453904955.db2.gz ZLFPJEKZGLJWTH-INIZCTEOSA-N 1 2 328.391 3.032 20 30 EGEDLO COc1ccc2c(c1)C[N@@H+](Cc1nnc(-c3cccc(C#N)c3)o1)CC2 ZINC000075647810 453914761 /nfs/dbraw/zinc/91/47/61/453914761.db2.gz BZEHUXAIDCNVSL-UHFFFAOYSA-N 1 2 346.390 3.175 20 30 EGEDLO COc1ccc2c(c1)C[N@H+](Cc1nnc(-c3cccc(C#N)c3)o1)CC2 ZINC000075647810 453914765 /nfs/dbraw/zinc/91/47/65/453914765.db2.gz BZEHUXAIDCNVSL-UHFFFAOYSA-N 1 2 346.390 3.175 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccncc3Cl)CC2)c(F)c1 ZINC000075680235 453918018 /nfs/dbraw/zinc/91/80/18/453918018.db2.gz HFRCXXGGTFFXGI-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(C#N)cc1 ZINC000042323978 454006442 /nfs/dbraw/zinc/00/64/42/454006442.db2.gz UCUFKIMMGSNIOP-OAHLLOKOSA-N 1 2 349.438 3.114 20 30 EGEDLO Cc1ccccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000043135425 454043108 /nfs/dbraw/zinc/04/31/08/454043108.db2.gz IPFMOIZGRGXGRA-UHFFFAOYSA-N 1 2 334.423 3.216 20 30 EGEDLO C=CCOc1cccc(NC(=O)NCc2ccc(N(C)C)[nH+]c2)c1 ZINC000056624442 454071147 /nfs/dbraw/zinc/07/11/47/454071147.db2.gz XEGCWHIKGDRWBH-UHFFFAOYSA-N 1 2 326.400 3.034 20 30 EGEDLO C=CCC[C@H](O)C[N@@H+]1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000245977734 455409205 /nfs/dbraw/zinc/40/92/05/455409205.db2.gz CGGOBOYVWURSSP-JKSUJKDBSA-N 1 2 340.261 3.150 20 30 EGEDLO C=CCC[C@H](O)C[N@H+]1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000245977734 455409210 /nfs/dbraw/zinc/40/92/10/455409210.db2.gz CGGOBOYVWURSSP-JKSUJKDBSA-N 1 2 340.261 3.150 20 30 EGEDLO C#Cc1cccc(NC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)c1 ZINC000043984780 454085339 /nfs/dbraw/zinc/08/53/39/454085339.db2.gz KDKMOCRESKOXPD-SFHVURJKSA-N 1 2 348.381 3.452 20 30 EGEDLO CCN(CC)c1ccc(CNC(=O)Nc2ccc(F)c(C#N)c2)c[nH+]1 ZINC000077499524 454113693 /nfs/dbraw/zinc/11/36/93/454113693.db2.gz FRYXIRHDSLVEMU-UHFFFAOYSA-N 1 2 341.390 3.260 20 30 EGEDLO C=CCn1c(SCc2[nH+]ccn2CC(F)(F)F)nnc1C1CC1 ZINC000057744118 454144413 /nfs/dbraw/zinc/14/44/13/454144413.db2.gz GWNWECMHERZMIT-UHFFFAOYSA-N 1 2 343.378 3.393 20 30 EGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)Cc1cc(C#N)ccc1F ZINC000057845237 454151882 /nfs/dbraw/zinc/15/18/82/454151882.db2.gz DDGLZXLDDFEFGS-UHFFFAOYSA-N 1 2 326.297 3.088 20 30 EGEDLO N#CC1CC[NH+](CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000057874742 454154189 /nfs/dbraw/zinc/15/41/89/454154189.db2.gz MYHHFFHONFLWJI-HXUWFJFHSA-N 1 2 343.446 3.409 20 30 EGEDLO CN(C(=O)C[NH+]1CCC(C#N)CC1)C(c1ccccc1)c1ccccc1 ZINC000057907992 454156674 /nfs/dbraw/zinc/15/66/74/454156674.db2.gz RNGPDHYAYNZCAA-UHFFFAOYSA-N 1 2 347.462 3.470 20 30 EGEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000045860158 454190586 /nfs/dbraw/zinc/19/05/86/454190586.db2.gz DHXRMFUILHXFIL-AWEZNQCLSA-N 1 2 332.363 3.150 20 30 EGEDLO COCCCCCO[NH+]=C(N)c1cccc(OCc2cccnc2)c1 ZINC000266297560 455425931 /nfs/dbraw/zinc/42/59/31/455425931.db2.gz MZVPITCFISEMIW-UHFFFAOYSA-N 1 2 343.427 3.114 20 30 EGEDLO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCOC[C@H]2C2CC2)cc1 ZINC000090009753 454261943 /nfs/dbraw/zinc/26/19/43/454261943.db2.gz MQORAYCVLSJOKF-INIZCTEOSA-N 1 2 325.330 3.048 20 30 EGEDLO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCOC[C@H]2C2CC2)cc1 ZINC000090009753 454261948 /nfs/dbraw/zinc/26/19/48/454261948.db2.gz MQORAYCVLSJOKF-INIZCTEOSA-N 1 2 325.330 3.048 20 30 EGEDLO Cc1ccc2[nH+]c(COc3cccc(C(=O)NC[C@H](C)C#N)c3)cn2c1 ZINC000078597953 454283908 /nfs/dbraw/zinc/28/39/08/454283908.db2.gz CWIKKTKTZNHOHX-OAHLLOKOSA-N 1 2 348.406 3.111 20 30 EGEDLO C[C@H](c1ccc(F)c(F)c1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000060467106 454292826 /nfs/dbraw/zinc/29/28/26/454292826.db2.gz NOGGAEPUSIMQPD-CYBMUJFWSA-N 1 2 328.366 3.115 20 30 EGEDLO CN(Cc1cccc(C#N)c1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060616218 454306529 /nfs/dbraw/zinc/30/65/29/454306529.db2.gz FGNHDPOZZKLEMC-UHFFFAOYSA-N 1 2 330.391 3.075 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)Nc1cc(OC)ccc1OC ZINC000072692541 454328357 /nfs/dbraw/zinc/32/83/57/454328357.db2.gz BJWAESCRZRVZPF-UHFFFAOYSA-N 1 2 347.459 3.294 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)Nc1cc(OC)ccc1OC ZINC000072692541 454328363 /nfs/dbraw/zinc/32/83/63/454328363.db2.gz BJWAESCRZRVZPF-UHFFFAOYSA-N 1 2 347.459 3.294 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCc3ccsc3C2)cc1Cl ZINC000132761989 454363272 /nfs/dbraw/zinc/36/32/72/454363272.db2.gz GVEWXDATDLZTNL-UHFFFAOYSA-N 1 2 331.828 3.270 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCc3ccsc3C2)cc1Cl ZINC000132761989 454363276 /nfs/dbraw/zinc/36/32/76/454363276.db2.gz GVEWXDATDLZTNL-UHFFFAOYSA-N 1 2 331.828 3.270 20 30 EGEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000072972961 454373829 /nfs/dbraw/zinc/37/38/29/454373829.db2.gz VPPMKBIZOKWQCD-NSHDSACASA-N 1 2 328.243 3.186 20 30 EGEDLO C=CC[N@H+](CC(=O)NC1CCCCCC1)Cc1cccc(C#N)c1 ZINC000063300653 454403133 /nfs/dbraw/zinc/40/31/33/454403133.db2.gz VYBISTJLVVMSPB-UHFFFAOYSA-N 1 2 325.456 3.385 20 30 EGEDLO C=CC[N@@H+](CC(=O)NC1CCCCCC1)Cc1cccc(C#N)c1 ZINC000063300653 454403139 /nfs/dbraw/zinc/40/31/39/454403139.db2.gz VYBISTJLVVMSPB-UHFFFAOYSA-N 1 2 325.456 3.385 20 30 EGEDLO N#CCc1ccccc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000600892401 460632019 /nfs/dbraw/zinc/63/20/19/460632019.db2.gz OLLAQZSWBZKVCP-RMKNXTFCSA-N 1 2 345.446 3.224 20 30 EGEDLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000103140704 454540355 /nfs/dbraw/zinc/54/03/55/454540355.db2.gz GXOMLRIVOLTVEV-UHFFFAOYSA-N 1 2 333.407 3.186 20 30 EGEDLO N#Cc1ccc(Oc2cccc(C(=O)NCCCn3cc[nH+]c3)c2)cc1 ZINC000103185743 454542817 /nfs/dbraw/zinc/54/28/17/454542817.db2.gz OYPPNXOUFSDDFG-UHFFFAOYSA-N 1 2 346.390 3.367 20 30 EGEDLO C=CC[N@@H+](Cc1c(OC)ccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000092361045 454556243 /nfs/dbraw/zinc/55/62/43/454556243.db2.gz OAEQPRCNOUJAGB-INIZCTEOSA-N 1 2 345.464 3.024 20 30 EGEDLO C=CC[N@H+](Cc1c(OC)ccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000092361045 454556247 /nfs/dbraw/zinc/55/62/47/454556247.db2.gz OAEQPRCNOUJAGB-INIZCTEOSA-N 1 2 345.464 3.024 20 30 EGEDLO C=CCn1c(SCc2[nH+]ccn2C)nnc1-c1ccc(OC)cc1 ZINC000074392773 454574655 /nfs/dbraw/zinc/57/46/55/454574655.db2.gz KKJYXHXBBLPAMQ-UHFFFAOYSA-N 1 2 341.440 3.166 20 30 EGEDLO C#CCOc1ccccc1C[NH2+]Cc1ccn(-c2ccc(OC)cc2)n1 ZINC000105445276 454639318 /nfs/dbraw/zinc/63/93/18/454639318.db2.gz AADSKGQZWXOWPF-UHFFFAOYSA-N 1 2 347.418 3.183 20 30 EGEDLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000093022129 454672385 /nfs/dbraw/zinc/67/23/85/454672385.db2.gz XKFTYTPCEHQLFY-UHFFFAOYSA-N 1 2 347.422 3.276 20 30 EGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccoc2)c1C ZINC000052442697 454673345 /nfs/dbraw/zinc/67/33/45/454673345.db2.gz TZAYKNUOYOQHPR-UHFFFAOYSA-N 1 2 325.412 3.275 20 30 EGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccoc2)c1C ZINC000052442697 454673350 /nfs/dbraw/zinc/67/33/50/454673350.db2.gz TZAYKNUOYOQHPR-UHFFFAOYSA-N 1 2 325.412 3.275 20 30 EGEDLO COc1cc(C[N@H+](C)[C@H](C)CC#N)ccc1OCc1ccncc1 ZINC000093090516 454680452 /nfs/dbraw/zinc/68/04/52/454680452.db2.gz MNMYKNGPXPCLLX-OAHLLOKOSA-N 1 2 325.412 3.403 20 30 EGEDLO COc1cc(C[N@@H+](C)[C@H](C)CC#N)ccc1OCc1ccncc1 ZINC000093090516 454680455 /nfs/dbraw/zinc/68/04/55/454680455.db2.gz MNMYKNGPXPCLLX-OAHLLOKOSA-N 1 2 325.412 3.403 20 30 EGEDLO C=CCOc1ccc(C[NH+]2CCN(Cc3ccon3)CC2)cc1Cl ZINC000093560820 454721114 /nfs/dbraw/zinc/72/11/14/454721114.db2.gz QJXRPHVJTGTSGJ-UHFFFAOYSA-N 1 2 347.846 3.211 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc(C(N)=O)cs1 ZINC000093872478 454742538 /nfs/dbraw/zinc/74/25/38/454742538.db2.gz OXLNJHTUOKMJRI-IAGOWNOFSA-N 1 2 325.437 3.119 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc(C(N)=O)cs1 ZINC000093872478 454742540 /nfs/dbraw/zinc/74/25/40/454742540.db2.gz OXLNJHTUOKMJRI-IAGOWNOFSA-N 1 2 325.437 3.119 20 30 EGEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000124678829 454760118 /nfs/dbraw/zinc/76/01/18/454760118.db2.gz KJGVBNHNTXJVGA-OAQYLSRUSA-N 1 2 333.410 3.060 20 30 EGEDLO CC[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)C[C@H](C)C#N ZINC000140420424 454820885 /nfs/dbraw/zinc/82/08/85/454820885.db2.gz QJWHUFWALHXUAR-BEFAXECRSA-N 1 2 341.480 3.435 20 30 EGEDLO CC[N@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)C[C@H](C)C#N ZINC000140420424 454820889 /nfs/dbraw/zinc/82/08/89/454820889.db2.gz QJWHUFWALHXUAR-BEFAXECRSA-N 1 2 341.480 3.435 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC(C#N)CC1 ZINC000142052758 454833483 /nfs/dbraw/zinc/83/34/83/454833483.db2.gz FPVPOZQVABKANJ-NSHDSACASA-N 1 2 325.334 3.268 20 30 EGEDLO N#Cc1cccc(/C=C/C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000144352964 454848885 /nfs/dbraw/zinc/84/88/85/454848885.db2.gz WRRKIYMCNSQBAU-FNORWQNLSA-N 1 2 346.365 3.213 20 30 EGEDLO N#Cc1cc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1[N+](=O)[O-] ZINC000165993774 454906560 /nfs/dbraw/zinc/90/65/60/454906560.db2.gz WVINBIPNJRDHAQ-UHFFFAOYSA-N 1 2 337.314 3.403 20 30 EGEDLO CC[C@H](C#N)NC(=O)c1ccccc1OCc1cn2cc(C)ccc2[nH+]1 ZINC000113448538 454926207 /nfs/dbraw/zinc/92/62/07/454926207.db2.gz IWUDHQSYQYGCJR-OAHLLOKOSA-N 1 2 348.406 3.254 20 30 EGEDLO N#CC[N@@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)C1CCCC1 ZINC000151127381 454941791 /nfs/dbraw/zinc/94/17/91/454941791.db2.gz ABBGIJCTBTURAZ-LJQANCHMSA-N 1 2 325.456 3.338 20 30 EGEDLO N#CC[N@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)C1CCCC1 ZINC000151127381 454941792 /nfs/dbraw/zinc/94/17/92/454941792.db2.gz ABBGIJCTBTURAZ-LJQANCHMSA-N 1 2 325.456 3.338 20 30 EGEDLO N#CCCCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000178377886 454952628 /nfs/dbraw/zinc/95/26/28/454952628.db2.gz CLBCUVGBULOZJO-ROUUACIJSA-N 1 2 337.427 3.105 20 30 EGEDLO C#CCCN1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000127337210 454955547 /nfs/dbraw/zinc/95/55/47/454955547.db2.gz YUCYMYJHNIARBH-UHFFFAOYSA-N 1 2 327.255 3.013 20 30 EGEDLO C[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000127453016 454965961 /nfs/dbraw/zinc/96/59/61/454965961.db2.gz KDSGEMCHBHCFGA-GFCCVEGCSA-N 1 2 328.803 3.238 20 30 EGEDLO C[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000127453016 454965964 /nfs/dbraw/zinc/96/59/64/454965964.db2.gz KDSGEMCHBHCFGA-GFCCVEGCSA-N 1 2 328.803 3.238 20 30 EGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000155290716 454984599 /nfs/dbraw/zinc/98/45/99/454984599.db2.gz AHUONGFLMCKDKU-NRFANRHFSA-N 1 2 345.446 3.345 20 30 EGEDLO O=C(NCc1ccco1)[C@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000151477605 454990375 /nfs/dbraw/zinc/99/03/75/454990375.db2.gz PLSBTOLDWUMCFU-GOSISDBHSA-N 1 2 342.826 3.065 20 30 EGEDLO O=C(NCc1ccco1)[C@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000151477605 454990379 /nfs/dbraw/zinc/99/03/79/454990379.db2.gz PLSBTOLDWUMCFU-GOSISDBHSA-N 1 2 342.826 3.065 20 30 EGEDLO COc1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1C#N ZINC000179194293 455017786 /nfs/dbraw/zinc/01/77/86/455017786.db2.gz PHOWGQLOAFQTNL-IBGZPJMESA-N 1 2 326.371 3.279 20 30 EGEDLO COc1ccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1C#N ZINC000179194293 455017789 /nfs/dbraw/zinc/01/77/89/455017789.db2.gz PHOWGQLOAFQTNL-IBGZPJMESA-N 1 2 326.371 3.279 20 30 EGEDLO C[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)CCN1CC(F)(F)F ZINC000128287716 455042770 /nfs/dbraw/zinc/04/27/70/455042770.db2.gz FNSJMSQCUFKXLN-ZDUSSCGKSA-N 1 2 330.781 3.260 20 30 EGEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CCN1CC(F)(F)F ZINC000128287716 455042774 /nfs/dbraw/zinc/04/27/74/455042774.db2.gz FNSJMSQCUFKXLN-ZDUSSCGKSA-N 1 2 330.781 3.260 20 30 EGEDLO C=CC[N@@H+](C/C=C/c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000179526324 455056276 /nfs/dbraw/zinc/05/62/76/455056276.db2.gz VYEAXBHACUTWAE-CWDCEQMOSA-N 1 2 325.861 3.028 20 30 EGEDLO C=CC[N@H+](C/C=C/c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000179526324 455056277 /nfs/dbraw/zinc/05/62/77/455056277.db2.gz VYEAXBHACUTWAE-CWDCEQMOSA-N 1 2 325.861 3.028 20 30 EGEDLO COc1cc(C#N)ccc1C[NH2+][C@@H](c1nc(C2CC2)no1)C(C)C ZINC000179819756 455083936 /nfs/dbraw/zinc/08/39/36/455083936.db2.gz VEYBOJOYDAVJMQ-MRXNPFEDSA-N 1 2 326.400 3.314 20 30 EGEDLO COc1ccc(OC)c2c1C[N@@H+]([C@H](C)c1ccc(C#N)cc1)C[C@H]2O ZINC000118392590 455104904 /nfs/dbraw/zinc/10/49/04/455104904.db2.gz AYTJEEXMTDZXGY-CXAGYDPISA-N 1 2 338.407 3.186 20 30 EGEDLO COc1ccc(OC)c2c1C[N@H+]([C@H](C)c1ccc(C#N)cc1)C[C@H]2O ZINC000118392590 455104906 /nfs/dbraw/zinc/10/49/06/455104906.db2.gz AYTJEEXMTDZXGY-CXAGYDPISA-N 1 2 338.407 3.186 20 30 EGEDLO Cn1cc(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)c(-c2ccc(C#N)cc2)n1 ZINC000180020426 455117024 /nfs/dbraw/zinc/11/70/24/455117024.db2.gz JEBBSBPBBDZIKR-SFHVURJKSA-N 1 2 346.438 3.409 20 30 EGEDLO Cn1cc(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)c(-c2ccc(C#N)cc2)n1 ZINC000180020426 455117029 /nfs/dbraw/zinc/11/70/29/455117029.db2.gz JEBBSBPBBDZIKR-SFHVURJKSA-N 1 2 346.438 3.409 20 30 EGEDLO Cc1ccc2[nH+]cc(CN3CCN([C@H](C#N)c4ccccc4)CC3)n2c1 ZINC000156487981 455124286 /nfs/dbraw/zinc/12/42/86/455124286.db2.gz NZNYYJJKWLRLRF-HXUWFJFHSA-N 1 2 345.450 3.025 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000190511361 455335602 /nfs/dbraw/zinc/33/56/02/455335602.db2.gz GUGYSVXWPQJHPH-UYAOXDASSA-N 1 2 330.472 3.087 20 30 EGEDLO N#CCCCOc1ccc[nH+]c1NCc1nccn1CC(F)(F)F ZINC000184289654 455369235 /nfs/dbraw/zinc/36/92/35/455369235.db2.gz NFLJDXHGQXLTCL-UHFFFAOYSA-N 1 2 339.321 3.135 20 30 EGEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000191123096 455447561 /nfs/dbraw/zinc/44/75/61/455447561.db2.gz LZMISUGTFHCXNC-UHFFFAOYSA-N 1 2 348.777 3.014 20 30 EGEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000191123096 455447562 /nfs/dbraw/zinc/44/75/62/455447562.db2.gz LZMISUGTFHCXNC-UHFFFAOYSA-N 1 2 348.777 3.014 20 30 EGEDLO C=C(C)[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(F)c(F)c1 ZINC000184844796 455459318 /nfs/dbraw/zinc/45/93/18/455459318.db2.gz HGKQBRAAZRWBQP-GUYCJALGSA-N 1 2 331.366 3.157 20 30 EGEDLO C=C(C)[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)c(F)c1 ZINC000184844758 455459457 /nfs/dbraw/zinc/45/94/57/455459457.db2.gz HGKQBRAAZRWBQP-DYVFJYSZSA-N 1 2 331.366 3.157 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184861750 455462941 /nfs/dbraw/zinc/46/29/41/455462941.db2.gz RBKGRFIDGFVYQC-AUUYWEPGSA-N 1 2 340.427 3.047 20 30 EGEDLO N#Cc1ccc(C[NH2+][C@@H](CCO)c2ccco2)c(Br)c1 ZINC000185105981 455501762 /nfs/dbraw/zinc/50/17/62/455501762.db2.gz PXKCMZVXKFGWRO-AWEZNQCLSA-N 1 2 335.201 3.127 20 30 EGEDLO N#CCCN(Cc1cn2cc(Cl)ccc2[nH+]1)Cc1cccnc1 ZINC000176011483 455527814 /nfs/dbraw/zinc/52/78/14/455527814.db2.gz JXEIODYULWDKLC-UHFFFAOYSA-N 1 2 325.803 3.299 20 30 EGEDLO N#Cc1ccc(NCc2cc[nH+]c(N3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000269364970 455843712 /nfs/dbraw/zinc/84/37/12/455843712.db2.gz KMKPOOZFEYWBLL-UHFFFAOYSA-N 1 2 337.383 3.464 20 30 EGEDLO CC(C)c1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000269367681 455844892 /nfs/dbraw/zinc/84/48/92/455844892.db2.gz WNWFNXNAGXYKFK-UHFFFAOYSA-N 1 2 348.450 3.035 20 30 EGEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)NCCCCC#N ZINC000270061018 455868303 /nfs/dbraw/zinc/86/83/03/455868303.db2.gz FFFGXUNIBUBPCY-MRXNPFEDSA-N 1 2 339.443 3.213 20 30 EGEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000255684463 455872323 /nfs/dbraw/zinc/87/23/23/455872323.db2.gz IKDGKVKHFCQGQO-ZFWWWQNUSA-N 1 2 342.468 3.194 20 30 EGEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000255684463 455872330 /nfs/dbraw/zinc/87/23/30/455872330.db2.gz IKDGKVKHFCQGQO-ZFWWWQNUSA-N 1 2 342.468 3.194 20 30 EGEDLO Cc1ccc(NC(=O)CCCC(=O)Nc2ccccc2C#N)c(C)[nH+]1 ZINC000194828543 455888269 /nfs/dbraw/zinc/88/82/69/455888269.db2.gz TUEZDEJCCOTJQX-UHFFFAOYSA-N 1 2 336.395 3.318 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3CCC(F)(F)CC3)CC2)cc1 ZINC000270210424 455903846 /nfs/dbraw/zinc/90/38/46/455903846.db2.gz JKNWVERDRWYYBR-UHFFFAOYSA-N 1 2 347.409 3.028 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@](C)(C#N)C(C)(C)C ZINC000280305873 455942791 /nfs/dbraw/zinc/94/27/91/455942791.db2.gz JEZVZSOARJAIDR-KRWDZBQOSA-N 1 2 334.370 3.068 20 30 EGEDLO CSc1ccccc1C[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000280372910 455957223 /nfs/dbraw/zinc/95/72/23/455957223.db2.gz JMFDPBJFKXZUIH-UHFFFAOYSA-N 1 2 339.464 3.028 20 30 EGEDLO CSc1ccccc1C[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000280372910 455957230 /nfs/dbraw/zinc/95/72/30/455957230.db2.gz JMFDPBJFKXZUIH-UHFFFAOYSA-N 1 2 339.464 3.028 20 30 EGEDLO Cc1cccc2[nH+]c(CNC(=O)c3ccc(C(C)(C)C#N)cc3)cn21 ZINC000280457180 455975756 /nfs/dbraw/zinc/97/57/56/455975756.db2.gz GUBDSWBIFZRPIE-UHFFFAOYSA-N 1 2 332.407 3.374 20 30 EGEDLO CC(C)n1nccc1C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000280637338 456019749 /nfs/dbraw/zinc/01/97/49/456019749.db2.gz QZHHFXGKHXWDKC-UHFFFAOYSA-N 1 2 343.862 3.311 20 30 EGEDLO C=CC[N@H+](CCc1ccccc1)Cc1ncc(C2OCCO2)s1 ZINC000289454556 456125483 /nfs/dbraw/zinc/12/54/83/456125483.db2.gz XRLASPVCQVCUPT-UHFFFAOYSA-N 1 2 330.453 3.419 20 30 EGEDLO C=CC[N@@H+](CCc1ccccc1)Cc1ncc(C2OCCO2)s1 ZINC000289454556 456125486 /nfs/dbraw/zinc/12/54/86/456125486.db2.gz XRLASPVCQVCUPT-UHFFFAOYSA-N 1 2 330.453 3.419 20 30 EGEDLO C=C(C)COc1cc(C[NH2+]Cc2nnc(CC)s2)ccc1OC ZINC000289820052 456143780 /nfs/dbraw/zinc/14/37/80/456143780.db2.gz NPGKUHMWOWLHSU-UHFFFAOYSA-N 1 2 333.457 3.354 20 30 EGEDLO CC1(C)C[NH+]=C(N2CCN(c3ccc(Cl)cc3C#N)CC2)S1 ZINC000301740424 456202519 /nfs/dbraw/zinc/20/25/19/456202519.db2.gz KLCXDHVQTWIVNE-UHFFFAOYSA-N 1 2 334.876 3.215 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000263744284 456209140 /nfs/dbraw/zinc/20/91/40/456209140.db2.gz RQGDFEJQNVPQIN-YWZLYKJASA-N 1 2 349.434 3.131 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000263744284 456209149 /nfs/dbraw/zinc/20/91/49/456209149.db2.gz RQGDFEJQNVPQIN-YWZLYKJASA-N 1 2 349.434 3.131 20 30 EGEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccccc2SCC#N)CCC1(F)F ZINC000290007182 456213976 /nfs/dbraw/zinc/21/39/76/456213976.db2.gz ZMHPRVBTQXOSNE-LBPRGKRZSA-N 1 2 339.411 3.218 20 30 EGEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2SCC#N)CCC1(F)F ZINC000290007182 456213979 /nfs/dbraw/zinc/21/39/79/456213979.db2.gz ZMHPRVBTQXOSNE-LBPRGKRZSA-N 1 2 339.411 3.218 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)NCCCC#N)CC1 ZINC000273288509 456222834 /nfs/dbraw/zinc/22/28/34/456222834.db2.gz SEEFODANQUYRLQ-AWEZNQCLSA-N 1 2 334.851 3.032 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3CCCCCC3)CC2)cc1 ZINC000263800593 456226969 /nfs/dbraw/zinc/22/69/69/456226969.db2.gz LUGGXECRVUHVAB-UHFFFAOYSA-N 1 2 325.456 3.173 20 30 EGEDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000273722415 456243775 /nfs/dbraw/zinc/24/37/75/456243775.db2.gz RVTGANPKCKADAC-IUCAKERBSA-N 1 2 349.847 3.049 20 30 EGEDLO N#CCOc1ccc(C[N@@H+]2CCSC[C@@H]2c2nccs2)cc1 ZINC000274485083 456259809 /nfs/dbraw/zinc/25/98/09/456259809.db2.gz GDAOUAABHDESRJ-OAHLLOKOSA-N 1 2 331.466 3.336 20 30 EGEDLO N#CCOc1ccc(C[N@H+]2CCSC[C@@H]2c2nccs2)cc1 ZINC000274485083 456259812 /nfs/dbraw/zinc/25/98/12/456259812.db2.gz GDAOUAABHDESRJ-OAHLLOKOSA-N 1 2 331.466 3.336 20 30 EGEDLO CN(C(=O)CCc1ccc(C#N)cc1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352788525 456310078 /nfs/dbraw/zinc/31/00/78/456310078.db2.gz KPHBQXKFLFOUFP-HXUWFJFHSA-N 1 2 344.418 3.462 20 30 EGEDLO C#CCOc1ccc(C(=O)N2CCCC[C@@H]2c2[nH+]ccn2CC)cc1 ZINC000281765374 456314335 /nfs/dbraw/zinc/31/43/35/456314335.db2.gz KORIGDCNROWJEC-GOSISDBHSA-N 1 2 337.423 3.282 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccccc1C(=O)OC ZINC000352802771 456321250 /nfs/dbraw/zinc/32/12/50/456321250.db2.gz WUQGNVGOGPYZCT-UHFFFAOYSA-N 1 2 329.396 3.137 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccccc1C(=O)OC ZINC000352802771 456321259 /nfs/dbraw/zinc/32/12/59/456321259.db2.gz WUQGNVGOGPYZCT-UHFFFAOYSA-N 1 2 329.396 3.137 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000352820214 456336512 /nfs/dbraw/zinc/33/65/12/456336512.db2.gz YXRKKMPINKJGIA-CQSZACIVSA-N 1 2 346.402 3.316 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000352820214 456336515 /nfs/dbraw/zinc/33/65/15/456336515.db2.gz YXRKKMPINKJGIA-CQSZACIVSA-N 1 2 346.402 3.316 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N(C)c1ccccc1 ZINC000352865630 456374241 /nfs/dbraw/zinc/37/42/41/456374241.db2.gz DCAAAVYYUXBHRA-MRXNPFEDSA-N 1 2 342.439 3.202 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N(C)c1ccccc1 ZINC000352865630 456374245 /nfs/dbraw/zinc/37/42/45/456374245.db2.gz DCAAAVYYUXBHRA-MRXNPFEDSA-N 1 2 342.439 3.202 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000352865170 456374500 /nfs/dbraw/zinc/37/45/00/456374500.db2.gz AVOJGXQITXJDHH-UHFFFAOYSA-N 1 2 346.383 3.267 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000352865170 456374503 /nfs/dbraw/zinc/37/45/03/456374503.db2.gz AVOJGXQITXJDHH-UHFFFAOYSA-N 1 2 346.383 3.267 20 30 EGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1c1ccc(C#N)cc1[N+](=O)[O-] ZINC000282122925 456418238 /nfs/dbraw/zinc/41/82/38/456418238.db2.gz ZYPSXHDAUJPKAQ-OAHLLOKOSA-N 1 2 325.372 3.414 20 30 EGEDLO C=CCCN(C)C(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000276236012 456420710 /nfs/dbraw/zinc/42/07/10/456420710.db2.gz LIDMCZSXWPVDQE-UHFFFAOYSA-N 1 2 339.439 3.191 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000298307681 456421572 /nfs/dbraw/zinc/42/15/72/456421572.db2.gz YLBVRHZWKJHKQX-LJQANCHMSA-N 1 2 337.398 3.149 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000298307681 456421577 /nfs/dbraw/zinc/42/15/77/456421577.db2.gz YLBVRHZWKJHKQX-LJQANCHMSA-N 1 2 337.398 3.149 20 30 EGEDLO C[NH+](C)[C@H](CNc1c(C#N)cccc1C#N)c1c(F)cccc1F ZINC000302872930 456423530 /nfs/dbraw/zinc/42/35/30/456423530.db2.gz CQRCSFGGDLRRPJ-MRXNPFEDSA-N 1 2 326.350 3.423 20 30 EGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1[nH+]ccc(OC)c1OC ZINC000352958047 456424774 /nfs/dbraw/zinc/42/47/74/456424774.db2.gz XUOWIXRSAYRNPC-UHFFFAOYSA-N 1 2 344.459 3.455 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000353029543 456448168 /nfs/dbraw/zinc/44/81/68/456448168.db2.gz WJUZBIBHCSYUNS-FQEVSTJZSA-N 1 2 341.455 3.119 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000343283649 456506992 /nfs/dbraw/zinc/50/69/92/456506992.db2.gz DGICFHSDPWBPNP-WBVHZDCISA-N 1 2 341.480 3.430 20 30 EGEDLO C=CCC[C@@H](O)C[N@@H+]1CCO[C@H](c2ccccc2Br)C1 ZINC000305080091 456523552 /nfs/dbraw/zinc/52/35/52/456523552.db2.gz MDVONXUUPICETJ-CJNGLKHVSA-N 1 2 340.261 3.150 20 30 EGEDLO C=CCC[C@@H](O)C[N@H+]1CCO[C@H](c2ccccc2Br)C1 ZINC000305080091 456523557 /nfs/dbraw/zinc/52/35/57/456523557.db2.gz MDVONXUUPICETJ-CJNGLKHVSA-N 1 2 340.261 3.150 20 30 EGEDLO CC(C)[N@H+](CC(=O)N1CCCCCC1)Cc1cc(F)ccc1C#N ZINC000353220866 456570718 /nfs/dbraw/zinc/57/07/18/456570718.db2.gz QCZVISMKTDRCJN-UHFFFAOYSA-N 1 2 331.435 3.310 20 30 EGEDLO CC(C)[N@@H+](CC(=O)N1CCCCCC1)Cc1cc(F)ccc1C#N ZINC000353220866 456570723 /nfs/dbraw/zinc/57/07/23/456570723.db2.gz QCZVISMKTDRCJN-UHFFFAOYSA-N 1 2 331.435 3.310 20 30 EGEDLO COc1cc(C[N@H+](C)Cc2cn3ccccc3c2C#N)cc(OC)c1 ZINC000353436055 456697202 /nfs/dbraw/zinc/69/72/02/456697202.db2.gz NQBJACMOQJHRJO-UHFFFAOYSA-N 1 2 335.407 3.460 20 30 EGEDLO COc1cc(C[N@@H+](C)Cc2cn3ccccc3c2C#N)cc(OC)c1 ZINC000353436055 456697209 /nfs/dbraw/zinc/69/72/09/456697209.db2.gz NQBJACMOQJHRJO-UHFFFAOYSA-N 1 2 335.407 3.460 20 30 EGEDLO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)C[C@H](C)C#N)c1ccc2c(c1)CCCC2 ZINC000353454240 456698847 /nfs/dbraw/zinc/69/88/47/456698847.db2.gz ISQHXJMHMFTMSP-OAGGEKHMSA-N 1 2 327.472 3.223 20 30 EGEDLO C[C@@H](NC(=O)[C@H](C)[N@H+](C)C[C@H](C)C#N)c1ccc2c(c1)CCCC2 ZINC000353454240 456698852 /nfs/dbraw/zinc/69/88/52/456698852.db2.gz ISQHXJMHMFTMSP-OAGGEKHMSA-N 1 2 327.472 3.223 20 30 EGEDLO CC1(C)SC[C@@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000328756615 456753166 /nfs/dbraw/zinc/75/31/66/456753166.db2.gz UJYQCAZXHAPOJG-HNNXBMFYSA-N 1 2 348.516 3.207 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ccc3c(c1)OCC(=O)N3)CCC2 ZINC000328785255 456759400 /nfs/dbraw/zinc/75/94/00/456759400.db2.gz KKFOYHNCLPFOLO-ZDUSSCGKSA-N 1 2 340.383 3.054 20 30 EGEDLO CC(=O)N1CCC(CCC(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000328863332 456779826 /nfs/dbraw/zinc/77/98/26/456779826.db2.gz ZFMLUOVWGNKEAQ-QGZVFWFLSA-N 1 2 346.475 3.064 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1ncoc1C1CC1)C2 ZINC000328882259 456784371 /nfs/dbraw/zinc/78/43/71/456784371.db2.gz WYSJSCLPYZMKHH-GFCCVEGCSA-N 1 2 328.416 3.366 20 30 EGEDLO Cc1noc(C(C)(C)[NH2+]CC(=O)NC23CC4CC(CC(C4)C2)C3)n1 ZINC000328902318 456788410 /nfs/dbraw/zinc/78/84/10/456788410.db2.gz GLVAVCJHQHMJHK-UHFFFAOYSA-N 1 2 332.448 3.128 20 30 EGEDLO C[C@@H]1C[C@H](C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CCC1=O ZINC000328936595 456795671 /nfs/dbraw/zinc/79/56/71/456795671.db2.gz FYYTYQMKFCSSPU-NVXWUHKLSA-N 1 2 343.471 3.027 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CC1 ZINC000348648923 456800594 /nfs/dbraw/zinc/80/05/94/456800594.db2.gz XARXDJYIVMESAR-INIZCTEOSA-N 1 2 337.427 3.494 20 30 EGEDLO O=C(NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000328959392 456801794 /nfs/dbraw/zinc/80/17/94/456801794.db2.gz OYIGHEJHOZUSPZ-VKJFTORMSA-N 1 2 343.402 3.319 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)[C@H](C)C1 ZINC000329100784 456834623 /nfs/dbraw/zinc/83/46/23/456834623.db2.gz ZMMAYULVKKHPKL-JHNDHUHGSA-N 1 2 348.491 3.216 20 30 EGEDLO O=C(NC1CCN(c2nc(C3CC3)[nH+]c3c2CCC3)CC1)C1CC1 ZINC000329107774 456836233 /nfs/dbraw/zinc/83/62/33/456836233.db2.gz FILAAZCNKGHSFO-UHFFFAOYSA-N 1 2 326.444 3.178 20 30 EGEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C3CC(C)(C)C3)c2)CC1 ZINC000329119556 456838127 /nfs/dbraw/zinc/83/81/27/456838127.db2.gz VKPJTQILNIGAPS-UHFFFAOYSA-N 1 2 343.471 3.375 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1scnc1C1CC1)C1CCOCC1 ZINC000329148439 456843665 /nfs/dbraw/zinc/84/36/65/456843665.db2.gz YISKADNBDPNHPV-CQSZACIVSA-N 1 2 346.456 3.227 20 30 EGEDLO CC1(C)C[C@@H](NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)C(C)(C)O1 ZINC000329233297 456858604 /nfs/dbraw/zinc/85/86/04/456858604.db2.gz GUPTWOHZJPTBJF-MRXNPFEDSA-N 1 2 342.443 3.222 20 30 EGEDLO CC#CCCCC(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000341474317 456867426 /nfs/dbraw/zinc/86/74/26/456867426.db2.gz DWZWUXFYHHBIOQ-UHFFFAOYSA-N 1 2 349.438 3.455 20 30 EGEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CC(=O)N[C@H](C)C1 ZINC000329340004 456875728 /nfs/dbraw/zinc/87/57/28/456875728.db2.gz OBZNSVPRNOZJPF-ZBFHGGJFSA-N 1 2 345.443 3.170 20 30 EGEDLO Cc1ccccc1CN1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000338968824 456881044 /nfs/dbraw/zinc/88/10/44/456881044.db2.gz RYEYRYULNZDOKV-UHFFFAOYSA-N 1 2 335.451 3.063 20 30 EGEDLO O=C(N[C@@H]1CCCOc2cc(F)ccc21)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329418475 456887224 /nfs/dbraw/zinc/88/72/24/456887224.db2.gz DSKYFSUJOIZGBL-MLGOLLRUSA-N 1 2 329.375 3.455 20 30 EGEDLO CCn1c2cc(F)ccc2nc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000329466596 456894957 /nfs/dbraw/zinc/89/49/57/456894957.db2.gz WBCLJJVUNWBROS-LLVKDONJSA-N 1 2 327.363 3.242 20 30 EGEDLO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2nnc3n2CCCC3)C1 ZINC000329473296 456896071 /nfs/dbraw/zinc/89/60/71/456896071.db2.gz ANTOTBUBTSLUMW-HNNXBMFYSA-N 1 2 339.443 3.115 20 30 EGEDLO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2nnc3n2CCCC3)C1 ZINC000329473296 456896075 /nfs/dbraw/zinc/89/60/75/456896075.db2.gz ANTOTBUBTSLUMW-HNNXBMFYSA-N 1 2 339.443 3.115 20 30 EGEDLO CCc1cnccc1[C@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329483922 456897858 /nfs/dbraw/zinc/89/78/58/456897858.db2.gz FKEHZBVTOKMMFK-KSSFIOAISA-N 1 2 331.460 3.305 20 30 EGEDLO CCc1cnccc1[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329483922 456897860 /nfs/dbraw/zinc/89/78/60/456897860.db2.gz FKEHZBVTOKMMFK-KSSFIOAISA-N 1 2 331.460 3.305 20 30 EGEDLO O=C(NCc1nc2ccccc2n1C1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329543195 456906711 /nfs/dbraw/zinc/90/67/11/456906711.db2.gz YEBSFRJWLZUNIE-ZDUSSCGKSA-N 1 2 335.411 3.287 20 30 EGEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000329548132 456906992 /nfs/dbraw/zinc/90/69/92/456906992.db2.gz HPYDVWGETGBNMV-CZUORRHYSA-N 1 2 330.819 3.281 20 30 EGEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000329548132 456906993 /nfs/dbraw/zinc/90/69/93/456906993.db2.gz HPYDVWGETGBNMV-CZUORRHYSA-N 1 2 330.819 3.281 20 30 EGEDLO C[C@@H]1CCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC12CCCCC2 ZINC000329598516 456914327 /nfs/dbraw/zinc/91/43/27/456914327.db2.gz DCNQVBUIQZJKDJ-CABCVRRESA-N 1 2 330.476 3.473 20 30 EGEDLO C[C@@H]1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC12CCCCC2 ZINC000329598516 456914331 /nfs/dbraw/zinc/91/43/31/456914331.db2.gz DCNQVBUIQZJKDJ-CABCVRRESA-N 1 2 330.476 3.473 20 30 EGEDLO Cc1ccccc1[C@H]1C[C@H]([NH+]=C([O-])NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329818653 456945910 /nfs/dbraw/zinc/94/59/10/456945910.db2.gz XFJYKWNPVGPTKC-BRWVUGGUSA-N 1 2 338.455 3.204 20 30 EGEDLO CC1(C)[C@H](C(F)(F)F)CCN1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000329868919 456953394 /nfs/dbraw/zinc/95/33/94/456953394.db2.gz YBBZOACKDXYEOB-NWDGAFQWSA-N 1 2 344.381 3.337 20 30 EGEDLO Cc1nc(CC2CC2)sc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000329919984 456961634 /nfs/dbraw/zinc/96/16/34/456961634.db2.gz GSJVEHCUKSQKAC-UHFFFAOYSA-N 1 2 344.484 3.484 20 30 EGEDLO Cc1ccc(NC(=O)NC(=O)C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)cc1C ZINC000329928443 456962123 /nfs/dbraw/zinc/96/21/23/456962123.db2.gz XXOWPHKROSUSKB-PBHICJAKSA-N 1 2 345.443 3.291 20 30 EGEDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)cc1C ZINC000329928443 456962130 /nfs/dbraw/zinc/96/21/30/456962130.db2.gz XXOWPHKROSUSKB-PBHICJAKSA-N 1 2 345.443 3.291 20 30 EGEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H](CC)C2CCOCC2)C1 ZINC000329945848 456964657 /nfs/dbraw/zinc/96/46/57/456964657.db2.gz JGWDRUKKTFPUPT-SJORKVTESA-N 1 2 348.491 3.202 20 30 EGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000349428001 456967459 /nfs/dbraw/zinc/96/74/59/456967459.db2.gz JUXBSYKKJOLTCS-UONOGXRCSA-N 1 2 340.452 3.336 20 30 EGEDLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000330025232 456976099 /nfs/dbraw/zinc/97/60/99/456976099.db2.gz KHQAYAHAHBNACL-MJBXVCDLSA-N 1 2 331.460 3.457 20 30 EGEDLO CCN1CCN(C(=O)Nc2cccc3ccccc32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330045271 456978271 /nfs/dbraw/zinc/97/82/71/456978271.db2.gz GIVGXMFHYOPOBS-GOSISDBHSA-N 1 2 349.438 3.487 20 30 EGEDLO C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1[nH+]ccn1C ZINC000345465256 456979258 /nfs/dbraw/zinc/97/92/58/456979258.db2.gz VRZAHKUFNMBWBM-AWEZNQCLSA-N 1 2 337.427 3.176 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NCc1ccc(C#N)cc1F)c1ccccc1F ZINC000341875781 456982285 /nfs/dbraw/zinc/98/22/85/456982285.db2.gz KFPCYVPDLZWMIU-GOSISDBHSA-N 1 2 338.361 3.449 20 30 EGEDLO C[C@@H]1C[N@H+](CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C[C@]2(CCCOC2)O1 ZINC000330099500 456984376 /nfs/dbraw/zinc/98/43/76/456984376.db2.gz DBXFCZLECGKKSA-KMOPNRPKSA-N 1 2 338.492 3.038 20 30 EGEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C[C@]2(CCCOC2)O1 ZINC000330099500 456984380 /nfs/dbraw/zinc/98/43/80/456984380.db2.gz DBXFCZLECGKKSA-KMOPNRPKSA-N 1 2 338.492 3.038 20 30 EGEDLO CC1(C)CCc2ccccc2[C@@H]1[NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000330182010 456996845 /nfs/dbraw/zinc/99/68/45/456996845.db2.gz GYAGUXDOKYFCOI-YJBOKZPZSA-N 1 2 338.455 3.415 20 30 EGEDLO CC1(C)CCc2ccccc2[C@@H]1[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330182009 456997039 /nfs/dbraw/zinc/99/70/39/456997039.db2.gz GYAGUXDOKYFCOI-QAPCUYQASA-N 1 2 338.455 3.415 20 30 EGEDLO [O-]C(N[C@@H]1CCSc2ccc(F)cc21)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330186562 456998589 /nfs/dbraw/zinc/99/85/89/456998589.db2.gz SCWSKAIMVICHQV-TZMCWYRMSA-N 1 2 346.431 3.078 20 30 EGEDLO CCc1ccc([C@H](C#N)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000345812318 456999148 /nfs/dbraw/zinc/99/91/48/456999148.db2.gz UOUPTMREQRHBEX-IBGZPJMESA-N 1 2 330.391 3.429 20 30 EGEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000330197577 457001582 /nfs/dbraw/zinc/00/15/82/457001582.db2.gz RYJLQSYDLXZWLU-FRRDWIJNSA-N 1 2 344.381 3.070 20 30 EGEDLO O=C(N[C@@H]1CCOC2(CCCCC2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000330207376 457002969 /nfs/dbraw/zinc/00/29/69/457002969.db2.gz AFDFUMHAGPZGPO-JKSUJKDBSA-N 1 2 346.475 3.385 20 30 EGEDLO CCN1CCN(C(=O)Nc2cccc(Cl)c2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330355206 457034596 /nfs/dbraw/zinc/03/45/96/457034596.db2.gz QJDKFWZWDGHBMK-OAHLLOKOSA-N 1 2 347.850 3.296 20 30 EGEDLO CC(=O)c1c(C)[nH]c(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1C(C)C ZINC000330397104 457037788 /nfs/dbraw/zinc/03/77/88/457037788.db2.gz OROHYNOSPXHGRP-UHFFFAOYSA-N 1 2 349.475 3.065 20 30 EGEDLO CC(=O)c1c(C)[nH]c(C(=O)NCC[N@H+]2CCOC(C)(C)C2)c1C(C)C ZINC000330397104 457037792 /nfs/dbraw/zinc/03/77/92/457037792.db2.gz OROHYNOSPXHGRP-UHFFFAOYSA-N 1 2 349.475 3.065 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2sccc2Br)CC1 ZINC000341982467 457040287 /nfs/dbraw/zinc/04/02/87/457040287.db2.gz RWZGSOLCNUTAAZ-UHFFFAOYSA-N 1 2 329.263 3.263 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000339379499 457079470 /nfs/dbraw/zinc/07/94/70/457079470.db2.gz QVQVPWNBOKBNIP-ZDUSSCGKSA-N 1 2 329.400 3.187 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000339379499 457079476 /nfs/dbraw/zinc/07/94/76/457079476.db2.gz QVQVPWNBOKBNIP-ZDUSSCGKSA-N 1 2 329.400 3.187 20 30 EGEDLO CC[C@](C)(CCO)NC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000330787459 457085264 /nfs/dbraw/zinc/08/52/64/457085264.db2.gz XEAUDJJFDQYBMM-HNAYVOBHSA-N 1 2 348.491 3.455 20 30 EGEDLO C=CCCOCCNC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000356686884 457119188 /nfs/dbraw/zinc/11/91/88/457119188.db2.gz QNLHEWOIYJQKPN-INIZCTEOSA-N 1 2 346.475 3.483 20 30 EGEDLO CC(C)C[N@H+](Cc1ncnn1CC(F)F)Cc1ccc(C#N)cc1 ZINC000362939046 457165067 /nfs/dbraw/zinc/16/50/67/457165067.db2.gz VUGPUBHWJZEGKJ-UHFFFAOYSA-N 1 2 333.386 3.073 20 30 EGEDLO CC(C)C[N@@H+](Cc1ncnn1CC(F)F)Cc1ccc(C#N)cc1 ZINC000362939046 457165071 /nfs/dbraw/zinc/16/50/71/457165071.db2.gz VUGPUBHWJZEGKJ-UHFFFAOYSA-N 1 2 333.386 3.073 20 30 EGEDLO CC[C@H](C)[C@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C(F)(F)F ZINC000331336798 457170083 /nfs/dbraw/zinc/17/00/83/457170083.db2.gz YZLWBNGWQQMTGI-YUTCNCBUSA-N 1 2 345.365 3.426 20 30 EGEDLO Cc1nc(C[N@@H+]2CCCN(c3nccc(C#N)c3Cl)CC2)cs1 ZINC000342243860 457187728 /nfs/dbraw/zinc/18/77/28/457187728.db2.gz OUMWNLWUPNSDRO-UHFFFAOYSA-N 1 2 347.875 3.084 20 30 EGEDLO Cc1nc(C[N@H+]2CCCN(c3nccc(C#N)c3Cl)CC2)cs1 ZINC000342243860 457187732 /nfs/dbraw/zinc/18/77/32/457187732.db2.gz OUMWNLWUPNSDRO-UHFFFAOYSA-N 1 2 347.875 3.084 20 30 EGEDLO C=CCC[C@H](C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)c1ccccc1 ZINC000342283640 457211347 /nfs/dbraw/zinc/21/13/47/457211347.db2.gz KNNRPCHMUIJYDG-IHPCNDPISA-N 1 2 342.483 3.058 20 30 EGEDLO CC(C)(C#N)c1ccc(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1 ZINC000357119920 457333836 /nfs/dbraw/zinc/33/38/36/457333836.db2.gz UFLURGFAJMJKAS-UHFFFAOYSA-N 1 2 331.379 3.321 20 30 EGEDLO CC[N@@H+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)C[C@@H](C)C#N ZINC000355431260 457373088 /nfs/dbraw/zinc/37/30/88/457373088.db2.gz ADBUJUDKGVARGU-AWEZNQCLSA-N 1 2 341.377 3.059 20 30 EGEDLO CC[N@H+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)C[C@@H](C)C#N ZINC000355431260 457373089 /nfs/dbraw/zinc/37/30/89/457373089.db2.gz ADBUJUDKGVARGU-AWEZNQCLSA-N 1 2 341.377 3.059 20 30 EGEDLO CC[C@@H](NC(=O)C[NH+]1CCC(F)(C#N)CC1)c1ccc(Cl)cc1 ZINC000352448580 457376168 /nfs/dbraw/zinc/37/61/68/457376168.db2.gz IDAWBBUZFIRSRG-OAHLLOKOSA-N 1 2 337.826 3.235 20 30 EGEDLO C=CCOc1cccc(C[N@@H+]2CCNC(=O)[C@H]2c2ccccc2C)c1 ZINC000355510747 457381274 /nfs/dbraw/zinc/38/12/74/457381274.db2.gz LSEXKXUJECDJGO-HXUWFJFHSA-N 1 2 336.435 3.233 20 30 EGEDLO C=CCOc1cccc(C[N@H+]2CCNC(=O)[C@H]2c2ccccc2C)c1 ZINC000355510747 457381281 /nfs/dbraw/zinc/38/12/81/457381281.db2.gz LSEXKXUJECDJGO-HXUWFJFHSA-N 1 2 336.435 3.233 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000424934095 457381523 /nfs/dbraw/zinc/38/15/23/457381523.db2.gz SZXNNJRLAWDLCH-YJBOKZPZSA-N 1 2 339.439 3.011 20 30 EGEDLO C=C(Br)C[NH+]1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC000363661217 457401958 /nfs/dbraw/zinc/40/19/58/457401958.db2.gz IYMVYCVWCICTLC-OAHLLOKOSA-N 1 2 335.245 3.343 20 30 EGEDLO C=CC[NH+](CC=C)Cc1cn(-c2ccccc2Br)nn1 ZINC000356082001 457447311 /nfs/dbraw/zinc/44/73/11/457447311.db2.gz HBJSJRWUCRCDSU-UHFFFAOYSA-N 1 2 333.233 3.204 20 30 EGEDLO N#Cc1cc(NCc2cccc(-c3[nH]cc[nH+]3)c2)cc(N)c1[N+](=O)[O-] ZINC000361058863 457553028 /nfs/dbraw/zinc/55/30/28/457553028.db2.gz RCMKIRBGYPZMMX-UHFFFAOYSA-N 1 2 334.339 3.051 20 30 EGEDLO CCC[C@H]([NH2+]Cc1ccc(C#N)cc1OC)c1nnc2ccccn21 ZINC000347632805 457563965 /nfs/dbraw/zinc/56/39/65/457563965.db2.gz HAHSVJXQECEMKL-INIZCTEOSA-N 1 2 335.411 3.241 20 30 EGEDLO C=CCCC1(C(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)CC1 ZINC000356314389 457569837 /nfs/dbraw/zinc/56/98/37/457569837.db2.gz ZNPBUQYSCHXAQF-CVEARBPZSA-N 1 2 348.512 3.373 20 30 EGEDLO C=CCCC1(C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000356314389 457569839 /nfs/dbraw/zinc/56/98/39/457569839.db2.gz ZNPBUQYSCHXAQF-CVEARBPZSA-N 1 2 348.512 3.373 20 30 EGEDLO CC(=O)c1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425543894 457590739 /nfs/dbraw/zinc/59/07/39/457590739.db2.gz ZUOQWYDPPBEMCC-CQSZACIVSA-N 1 2 335.407 3.392 20 30 EGEDLO CC(=O)c1ccc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425543894 457590744 /nfs/dbraw/zinc/59/07/44/457590744.db2.gz ZUOQWYDPPBEMCC-CQSZACIVSA-N 1 2 335.407 3.392 20 30 EGEDLO CCc1cnccc1[C@@H](C)[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000361133889 457602901 /nfs/dbraw/zinc/60/29/01/457602901.db2.gz AEKAGQZGHIYEGW-CYBMUJFWSA-N 1 2 333.395 3.416 20 30 EGEDLO Cc1cnn(CCCCC[N@@H+]2CCC[C@@]3(CCCCO3)[C@H]2C#N)c1 ZINC000364818127 457699179 /nfs/dbraw/zinc/69/91/79/457699179.db2.gz VKKNAPKMPGVCLH-MOPGFXCFSA-N 1 2 330.476 3.289 20 30 EGEDLO Cc1cnn(CCCCC[N@H+]2CCC[C@@]3(CCCCO3)[C@H]2C#N)c1 ZINC000364818127 457699182 /nfs/dbraw/zinc/69/91/82/457699182.db2.gz VKKNAPKMPGVCLH-MOPGFXCFSA-N 1 2 330.476 3.289 20 30 EGEDLO C#CC[N@@H+](Cc1ccno1)[C@H]1CCOc2ccc(Br)cc21 ZINC000365206029 457730463 /nfs/dbraw/zinc/73/04/63/457730463.db2.gz FUHGWAWMPKWXCF-HNNXBMFYSA-N 1 2 347.212 3.396 20 30 EGEDLO C#CC[N@H+](Cc1ccno1)[C@H]1CCOc2ccc(Br)cc21 ZINC000365206029 457730459 /nfs/dbraw/zinc/73/04/59/457730459.db2.gz FUHGWAWMPKWXCF-HNNXBMFYSA-N 1 2 347.212 3.396 20 30 EGEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000411130543 457809388 /nfs/dbraw/zinc/80/93/88/457809388.db2.gz HLSICYNCHYLMFN-ZDUSSCGKSA-N 1 2 339.361 3.155 20 30 EGEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000411134113 457810993 /nfs/dbraw/zinc/81/09/93/457810993.db2.gz MTSQFEFNPXJLAC-LBPRGKRZSA-N 1 2 340.254 3.443 20 30 EGEDLO N#C[C@H](CCc1ccccc1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000433340094 457814958 /nfs/dbraw/zinc/81/49/58/457814958.db2.gz ACNXHTBZVQLXPB-SFHVURJKSA-N 1 2 336.439 3.162 20 30 EGEDLO N#CC1(CC[NH+]2CCN(C(=O)c3ccsc3)CC2)CCCCC1 ZINC000411180583 457821760 /nfs/dbraw/zinc/82/17/60/457821760.db2.gz NKJXJGOYBUMMOB-UHFFFAOYSA-N 1 2 331.485 3.370 20 30 EGEDLO C=CC[N@H+](Cc1cc(Br)ccc1F)[C@H](C)C(=O)N(C)C ZINC000411222057 457834907 /nfs/dbraw/zinc/83/49/07/457834907.db2.gz NFJXSGNGRBCZMX-LLVKDONJSA-N 1 2 343.240 3.053 20 30 EGEDLO C=CC[N@@H+](Cc1cc(Br)ccc1F)[C@H](C)C(=O)N(C)C ZINC000411222057 457834915 /nfs/dbraw/zinc/83/49/15/457834915.db2.gz NFJXSGNGRBCZMX-LLVKDONJSA-N 1 2 343.240 3.053 20 30 EGEDLO CN(C(=O)C[N@H+](C)Cc1cc(F)cc(F)c1)C1(C#N)CCCCC1 ZINC000444710440 457950545 /nfs/dbraw/zinc/95/05/45/457950545.db2.gz VOUMAPRHQKPGMT-UHFFFAOYSA-N 1 2 335.398 3.081 20 30 EGEDLO CN(C(=O)C[N@@H+](C)Cc1cc(F)cc(F)c1)C1(C#N)CCCCC1 ZINC000444710440 457950550 /nfs/dbraw/zinc/95/05/50/457950550.db2.gz VOUMAPRHQKPGMT-UHFFFAOYSA-N 1 2 335.398 3.081 20 30 EGEDLO C=CCN(CCOC)C(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000361941323 457968605 /nfs/dbraw/zinc/96/86/05/457968605.db2.gz YKSIIARDPSSJKM-INIZCTEOSA-N 1 2 346.475 3.435 20 30 EGEDLO C=CC[N@@H+](CCOC)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000362050145 458026221 /nfs/dbraw/zinc/02/62/21/458026221.db2.gz MGFKKXYMNXKFBY-HXUWFJFHSA-N 1 2 338.451 3.179 20 30 EGEDLO C=CC[N@H+](CCOC)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000362050145 458026230 /nfs/dbraw/zinc/02/62/30/458026230.db2.gz MGFKKXYMNXKFBY-HXUWFJFHSA-N 1 2 338.451 3.179 20 30 EGEDLO C=C(Cl)CNC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000368526249 458043084 /nfs/dbraw/zinc/04/30/84/458043084.db2.gz JSPUPBKGHKTVLL-UHFFFAOYSA-N 1 2 329.831 3.095 20 30 EGEDLO C=C(Cl)CNC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000368526249 458043090 /nfs/dbraw/zinc/04/30/90/458043090.db2.gz JSPUPBKGHKTVLL-UHFFFAOYSA-N 1 2 329.831 3.095 20 30 EGEDLO Cc1cccc2ncc(C[NH+]3CCN([C@@H](C#N)c4ccccc4)CC3)n21 ZINC000434988861 458076513 /nfs/dbraw/zinc/07/65/13/458076513.db2.gz XJOFECWMPXDXAB-FQEVSTJZSA-N 1 2 345.450 3.025 20 30 EGEDLO C=CCC[C@@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000435103609 458093712 /nfs/dbraw/zinc/09/37/12/458093712.db2.gz NHTOANVTXUOPRL-GOSISDBHSA-N 1 2 345.487 3.104 20 30 EGEDLO C=CCC[C@@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000435103609 458093719 /nfs/dbraw/zinc/09/37/19/458093719.db2.gz NHTOANVTXUOPRL-GOSISDBHSA-N 1 2 345.487 3.104 20 30 EGEDLO C=CCC[C@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccccc1 ZINC000435109310 458093973 /nfs/dbraw/zinc/09/39/73/458093973.db2.gz BKOZOPXKZCEYDR-SFHVURJKSA-N 1 2 345.487 3.104 20 30 EGEDLO C=CCC[C@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccccc1 ZINC000435109310 458093981 /nfs/dbraw/zinc/09/39/81/458093981.db2.gz BKOZOPXKZCEYDR-SFHVURJKSA-N 1 2 345.487 3.104 20 30 EGEDLO C=CCSc1ccccc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000362391124 458147690 /nfs/dbraw/zinc/14/76/90/458147690.db2.gz VQBYNLOGWGKXPA-UHFFFAOYSA-N 1 2 341.480 3.470 20 30 EGEDLO CCCCOC1CC[NH+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000362450309 458186203 /nfs/dbraw/zinc/18/62/03/458186203.db2.gz JNSBBRWJJWUILQ-AWEZNQCLSA-N 1 2 347.459 3.376 20 30 EGEDLO Cc1cc(C)c(CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c[nH+]1 ZINC000459069790 458258685 /nfs/dbraw/zinc/25/86/85/458258685.db2.gz FJRULCKAFXCXOA-UHFFFAOYSA-N 1 2 334.423 3.444 20 30 EGEDLO N#C[C@@H]1N(Cc2cc(-n3cc[nH+]c3)cs2)CCC[C@]12CCCCO2 ZINC000448270782 458399055 /nfs/dbraw/zinc/39/90/55/458399055.db2.gz GTIDOYCCFOBBIZ-ZWKOTPCHSA-N 1 2 342.468 3.361 20 30 EGEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@@]3(C#N)C[C@@H]3C)CC2)cc1 ZINC000448576684 458401810 /nfs/dbraw/zinc/40/18/10/458401810.db2.gz CYTYSBQYOZXIQF-OXJNMPFZSA-N 1 2 325.456 3.004 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3cccnc3)CC2)CCCCC1 ZINC000448646886 458404143 /nfs/dbraw/zinc/40/41/43/458404143.db2.gz KGZSVPFWEJXALT-UHFFFAOYSA-N 1 2 327.472 3.252 20 30 EGEDLO C=CCCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450429247 458448160 /nfs/dbraw/zinc/44/81/60/458448160.db2.gz ZAZVUSISPKHHTE-CYBMUJFWSA-N 1 2 328.372 3.255 20 30 EGEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)NCCc2cccc(C#N)c2)c1 ZINC000377223560 458492171 /nfs/dbraw/zinc/49/21/71/458492171.db2.gz QLYVDUYLQQIFBU-UHFFFAOYSA-N 1 2 345.406 3.323 20 30 EGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000373568433 458536120 /nfs/dbraw/zinc/53/61/20/458536120.db2.gz MYHOXLWGCMZUEE-KBPBESRZSA-N 1 2 340.452 3.336 20 30 EGEDLO N#C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1cccc(Cl)c1Cl ZINC000373586479 458540739 /nfs/dbraw/zinc/54/07/39/458540739.db2.gz SMKOIBCSCVBRRJ-ZWNOBZJWSA-N 1 2 349.221 3.133 20 30 EGEDLO N#C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1cccc(Cl)c1Cl ZINC000373586376 458541540 /nfs/dbraw/zinc/54/15/40/458541540.db2.gz SMKOIBCSCVBRRJ-GWCFXTLKSA-N 1 2 349.221 3.133 20 30 EGEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)COc1ccccc1C#N ZINC000373619515 458555470 /nfs/dbraw/zinc/55/54/70/458555470.db2.gz SHOITHJCJZDMTR-UHFFFAOYSA-N 1 2 332.363 3.274 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)c2[nH+]ccn21 ZINC000454312064 458558132 /nfs/dbraw/zinc/55/81/32/458558132.db2.gz CLLYTAOEPZVIFD-YPMHNXCESA-N 1 2 326.404 3.139 20 30 EGEDLO C=C(C)CCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000454514574 458564984 /nfs/dbraw/zinc/56/49/84/458564984.db2.gz RVYSAKGMGHXHQA-HZPDHXFCSA-N 1 2 331.460 3.384 20 30 EGEDLO C=CCn1cc(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)nn1 ZINC000424167119 458575021 /nfs/dbraw/zinc/57/50/21/458575021.db2.gz BVJRVVGPGQPPHW-UHFFFAOYSA-N 1 2 328.750 3.009 20 30 EGEDLO C=C(CC)CNC(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000455520499 458602339 /nfs/dbraw/zinc/60/23/39/458602339.db2.gz JNDLLCJOKZXARX-INIZCTEOSA-N 1 2 326.444 3.485 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(CC#N)cc1Cl)C1CC1 ZINC000455725013 458609149 /nfs/dbraw/zinc/60/91/49/458609149.db2.gz CPKHSXNDDIDLNI-HNNXBMFYSA-N 1 2 343.818 3.412 20 30 EGEDLO C=CCn1cc(C[NH2+][C@@H](C)c2oc3ccc(OC)cc3c2C)nn1 ZINC000424299607 458609321 /nfs/dbraw/zinc/60/93/21/458609321.db2.gz VSENBTBBZPIGQK-ZDUSSCGKSA-N 1 2 326.400 3.378 20 30 EGEDLO CC(C)Cn1cc[nH+]c1CNC(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000455737757 458610298 /nfs/dbraw/zinc/61/02/98/458610298.db2.gz HEAVQRVHSZLWFL-UHFFFAOYSA-N 1 2 338.455 3.296 20 30 EGEDLO C=C[C@@H]1CCCCN1C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000494214122 458642599 /nfs/dbraw/zinc/64/25/99/458642599.db2.gz YITRYGZYVIBIGS-MRXNPFEDSA-N 1 2 326.444 3.485 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000530336637 458750704 /nfs/dbraw/zinc/75/07/04/458750704.db2.gz KVJPBDJWIDYCMT-AWEZNQCLSA-N 1 2 343.858 3.380 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000530336637 458750708 /nfs/dbraw/zinc/75/07/08/458750708.db2.gz KVJPBDJWIDYCMT-AWEZNQCLSA-N 1 2 343.858 3.380 20 30 EGEDLO Cc1[nH+]c2cc(NC(=O)c3ccc(CC#N)cc3)ccc2n1[C@H](C)CO ZINC000456704790 458757906 /nfs/dbraw/zinc/75/79/06/458757906.db2.gz ICNAXKZGEYYOFJ-CYBMUJFWSA-N 1 2 348.406 3.216 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)Cc1ccc(CO)o1 ZINC000512221556 458784290 /nfs/dbraw/zinc/78/42/90/458784290.db2.gz ZAIGMDUNMQMBSX-JTDSTZFVSA-N 1 2 348.487 3.091 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)Cc1ccc(CO)o1 ZINC000512221556 458784296 /nfs/dbraw/zinc/78/42/96/458784296.db2.gz ZAIGMDUNMQMBSX-JTDSTZFVSA-N 1 2 348.487 3.091 20 30 EGEDLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH+]2CCC(CCC#N)CC2)c1C ZINC000514600642 458799743 /nfs/dbraw/zinc/79/97/43/458799743.db2.gz RVHOENRLHCZCEZ-AWEZNQCLSA-N 1 2 329.444 3.421 20 30 EGEDLO Cc1ccc(-c2ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c(F)c2)cc1 ZINC000515852051 458812763 /nfs/dbraw/zinc/81/27/63/458812763.db2.gz MPRWXQKXGSRMAM-HXUWFJFHSA-N 1 2 339.414 3.375 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000517583027 458831241 /nfs/dbraw/zinc/83/12/41/458831241.db2.gz FVTSZFZPAOZMPK-YJBOKZPZSA-N 1 2 327.453 3.236 20 30 EGEDLO N#CC1CCC(CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000441013078 458875561 /nfs/dbraw/zinc/87/55/61/458875561.db2.gz SUILOUWIRGEEQN-UHFFFAOYSA-N 1 2 337.427 3.001 20 30 EGEDLO N#C[C@@H]1CC[C@@H]([NH2+][C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)C1 ZINC000549553921 458881099 /nfs/dbraw/zinc/88/10/99/458881099.db2.gz JESSPZOIVAQMFD-HONMWMINSA-N 1 2 335.333 3.195 20 30 EGEDLO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)C1 ZINC000549553922 458881166 /nfs/dbraw/zinc/88/11/66/458881166.db2.gz JESSPZOIVAQMFD-LERXQTSPSA-N 1 2 335.333 3.195 20 30 EGEDLO CCOC(=O)[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)Cc2ccccc21 ZINC000441123040 458891390 /nfs/dbraw/zinc/89/13/90/458891390.db2.gz IRSMNOKYVVRYFN-HXUWFJFHSA-N 1 2 337.394 3.340 20 30 EGEDLO CCOC(=O)[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)Cc2ccccc21 ZINC000441123040 458891395 /nfs/dbraw/zinc/89/13/95/458891395.db2.gz IRSMNOKYVVRYFN-HXUWFJFHSA-N 1 2 337.394 3.340 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCCCC1 ZINC000466635383 458910189 /nfs/dbraw/zinc/91/01/89/458910189.db2.gz WTPRYIJJXCMOEQ-OAHLLOKOSA-N 1 2 348.491 3.399 20 30 EGEDLO Cn1cc[nH+]c1[C@H]1N(c2ccc(C(F)(F)F)c(C#N)n2)CC1(C)C ZINC000577033530 458967087 /nfs/dbraw/zinc/96/70/87/458967087.db2.gz DJXAPMXGTUZRGW-CYBMUJFWSA-N 1 2 335.333 3.293 20 30 EGEDLO C=C(C)Cn1c(CC2CCCCC2)nnc1N1CCn2cc[nH+]c2C1 ZINC000519617005 458973247 /nfs/dbraw/zinc/97/32/47/458973247.db2.gz PTCQDWRXMAEUKD-UHFFFAOYSA-N 1 2 340.475 3.194 20 30 EGEDLO COc1cc(C[N@H+](C)CC(=O)Nc2cccc(C)c2C)ccc1C#N ZINC000442793380 459037186 /nfs/dbraw/zinc/03/71/86/459037186.db2.gz AZJBOKHXFFREMG-UHFFFAOYSA-N 1 2 337.423 3.254 20 30 EGEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2cccc(C)c2C)ccc1C#N ZINC000442793380 459037192 /nfs/dbraw/zinc/03/71/92/459037192.db2.gz AZJBOKHXFFREMG-UHFFFAOYSA-N 1 2 337.423 3.254 20 30 EGEDLO N#C[C@@H]1CN(c2ccc3c(Cl)c4c([nH+]c3c2)CCCC4)CCO1 ZINC000577551273 459049286 /nfs/dbraw/zinc/04/92/86/459049286.db2.gz JUXCWIKRCKAVNP-CYBMUJFWSA-N 1 2 327.815 3.496 20 30 EGEDLO CC(C)[N@@H+]1CCO[C@H](c2noc([C@H](C)Cc3ccc(C#N)cc3)n2)C1 ZINC000594530400 459081141 /nfs/dbraw/zinc/08/11/41/459081141.db2.gz RLVUIYITINEQMU-PBHICJAKSA-N 1 2 340.427 3.069 20 30 EGEDLO CC(C)[N@H+]1CCO[C@H](c2noc([C@H](C)Cc3ccc(C#N)cc3)n2)C1 ZINC000594530400 459081146 /nfs/dbraw/zinc/08/11/46/459081146.db2.gz RLVUIYITINEQMU-PBHICJAKSA-N 1 2 340.427 3.069 20 30 EGEDLO CCOC(=O)c1c(C)n[nH]c1C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000590604415 459159718 /nfs/dbraw/zinc/15/97/18/459159718.db2.gz HDPOQKXAQGUMLL-AWEZNQCLSA-N 1 2 340.427 3.350 20 30 EGEDLO CCOC(=O)c1c(C)n[nH]c1C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000590604415 459159723 /nfs/dbraw/zinc/15/97/23/459159723.db2.gz HDPOQKXAQGUMLL-AWEZNQCLSA-N 1 2 340.427 3.350 20 30 EGEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](Cc1ccc(C#N)cn1)C1CC1 ZINC000578334419 459185239 /nfs/dbraw/zinc/18/52/39/459185239.db2.gz NSCPFFKPEKQKHQ-FQEVSTJZSA-N 1 2 349.434 3.092 20 30 EGEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](Cc1ccc(C#N)cn1)C1CC1 ZINC000578334419 459185243 /nfs/dbraw/zinc/18/52/43/459185243.db2.gz NSCPFFKPEKQKHQ-FQEVSTJZSA-N 1 2 349.434 3.092 20 30 EGEDLO COc1cccc2c1C[N@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)CC2 ZINC000590759688 459208434 /nfs/dbraw/zinc/20/84/34/459208434.db2.gz HUNKGFAIKJFSLC-UHFFFAOYSA-N 1 2 346.390 3.175 20 30 EGEDLO COc1cccc2c1C[N@@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)CC2 ZINC000590759688 459208440 /nfs/dbraw/zinc/20/84/40/459208440.db2.gz HUNKGFAIKJFSLC-UHFFFAOYSA-N 1 2 346.390 3.175 20 30 EGEDLO Cc1cc(Cl)c2ncc(C#N)c(NCC[N@@H+]3CCO[C@@H](C)C3)c2c1 ZINC000558786231 459210528 /nfs/dbraw/zinc/21/05/28/459210528.db2.gz HVGHUDAIJGPJJR-ZDUSSCGKSA-N 1 2 344.846 3.201 20 30 EGEDLO Cc1cc(Cl)c2ncc(C#N)c(NCC[N@H+]3CCO[C@@H](C)C3)c2c1 ZINC000558786231 459210532 /nfs/dbraw/zinc/21/05/32/459210532.db2.gz HVGHUDAIJGPJJR-ZDUSSCGKSA-N 1 2 344.846 3.201 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)c2c(Cl)cc(C#N)cc2Cl)c2[nH+]ccn21 ZINC000590875720 459254987 /nfs/dbraw/zinc/25/49/87/459254987.db2.gz LODLFTQQPQNNAH-QPUJVOFHSA-N 1 2 335.194 3.497 20 30 EGEDLO Cc1ccc(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)c(C)[nH+]1 ZINC000580660553 459263860 /nfs/dbraw/zinc/26/38/60/459263860.db2.gz YIPXTEBQQLORTR-UHFFFAOYSA-N 1 2 335.411 3.183 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000580836825 459265398 /nfs/dbraw/zinc/26/53/98/459265398.db2.gz KQNBIDXYIOYHJA-MKBNYLNASA-N 1 2 340.254 3.057 20 30 EGEDLO Cn1c2cc(F)ccc2[nH+]c1N1CCC(C#N)(c2ccccn2)CC1 ZINC000581921172 459279332 /nfs/dbraw/zinc/27/93/32/459279332.db2.gz HERHMRJHAVCGBW-UHFFFAOYSA-N 1 2 335.386 3.169 20 30 EGEDLO CCOC(=O)[C@@]1([NH2+]CCc2ccc(C#N)cc2)CCc2ccccc21 ZINC000595370885 459285683 /nfs/dbraw/zinc/28/56/83/459285683.db2.gz KYLLIMGNXXEZNH-OAQYLSRUSA-N 1 2 334.419 3.095 20 30 EGEDLO COC(=O)C[C@](C)([NH2+]Cc1ccc(Cl)cc1C#N)c1ccncc1 ZINC000595488739 459321413 /nfs/dbraw/zinc/32/14/13/459321413.db2.gz ZKZBGVIQAXNJKB-SFHVURJKSA-N 1 2 343.814 3.175 20 30 EGEDLO C=C(C)COc1cc(C[N@@H+]2CCc3nc(C)ncc3C2)ccc1OC ZINC000535075429 459354950 /nfs/dbraw/zinc/35/49/50/459354950.db2.gz BSDIBBFIEIDINO-UHFFFAOYSA-N 1 2 339.439 3.307 20 30 EGEDLO C=C(C)COc1cc(C[N@H+]2CCc3nc(C)ncc3C2)ccc1OC ZINC000535075429 459354959 /nfs/dbraw/zinc/35/49/59/459354959.db2.gz BSDIBBFIEIDINO-UHFFFAOYSA-N 1 2 339.439 3.307 20 30 EGEDLO Cc1cccn2cc(CC(=O)N[C@@H](C#N)c3ccc(Cl)cc3)[nH+]c12 ZINC000536622991 459360636 /nfs/dbraw/zinc/36/06/36/459360636.db2.gz BCHDRMIFMJAWNL-INIZCTEOSA-N 1 2 338.798 3.220 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000595614997 459368067 /nfs/dbraw/zinc/36/80/67/459368067.db2.gz NSUPJTALVHNXTP-RHSMWYFYSA-N 1 2 331.847 3.461 20 30 EGEDLO N#CC[C@H]1CCC[N@H+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000595614997 459368072 /nfs/dbraw/zinc/36/80/72/459368072.db2.gz NSUPJTALVHNXTP-RHSMWYFYSA-N 1 2 331.847 3.461 20 30 EGEDLO CC#CCCNC(=O)N1CCC(n2c3ccccc3[nH+]c2CC)CC1 ZINC000483430947 459369955 /nfs/dbraw/zinc/36/99/55/459369955.db2.gz YXEKKSHPLNGNJS-UHFFFAOYSA-N 1 2 338.455 3.359 20 30 EGEDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000539887190 459379612 /nfs/dbraw/zinc/37/96/12/459379612.db2.gz SXDKCZJYNWOYDM-LSDHHAIUSA-N 1 2 343.446 3.476 20 30 EGEDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000539887190 459379618 /nfs/dbraw/zinc/37/96/18/459379618.db2.gz SXDKCZJYNWOYDM-LSDHHAIUSA-N 1 2 343.446 3.476 20 30 EGEDLO C[N@H+](CCC#N)C[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000497137804 459455835 /nfs/dbraw/zinc/45/58/35/459455835.db2.gz WRUNQHCDBVPMMB-OAHLLOKOSA-N 1 2 335.423 3.279 20 30 EGEDLO C[N@@H+](CCC#N)C[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000497137804 459455837 /nfs/dbraw/zinc/45/58/37/459455837.db2.gz WRUNQHCDBVPMMB-OAHLLOKOSA-N 1 2 335.423 3.279 20 30 EGEDLO C=CCn1cccc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000488573128 459547310 /nfs/dbraw/zinc/54/73/10/459547310.db2.gz AYUDQBJOJMVACG-UXBLZVDNSA-N 1 2 335.451 3.145 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000570864128 459562275 /nfs/dbraw/zinc/56/22/75/459562275.db2.gz ONQGFOMAUBZKKD-WOJBJXKFSA-N 1 2 335.451 3.368 20 30 EGEDLO C=C[C@@H]1OCCC[C@H]1c1nc(-c2ccc(C)[nH+]c2N2CCCC2)no1 ZINC000570953669 459562535 /nfs/dbraw/zinc/56/25/35/459562535.db2.gz FUGPZQRYSFDUBC-ZBFHGGJFSA-N 1 2 340.427 3.489 20 30 EGEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000572579439 459581640 /nfs/dbraw/zinc/58/16/40/459581640.db2.gz LVZLJKUKBUDRPE-WMLDXEAASA-N 1 2 335.411 3.158 20 30 EGEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000490649568 459582756 /nfs/dbraw/zinc/58/27/56/459582756.db2.gz IFIZKKTWIVQQDT-AWEZNQCLSA-N 1 2 336.370 3.467 20 30 EGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000490649568 459582761 /nfs/dbraw/zinc/58/27/61/459582761.db2.gz IFIZKKTWIVQQDT-AWEZNQCLSA-N 1 2 336.370 3.467 20 30 EGEDLO C#C[C@H](NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21)c1ccc(Cl)cc1 ZINC000491295846 459613684 /nfs/dbraw/zinc/61/36/84/459613684.db2.gz JFDWWXBLTUFBFX-UGFHNGPFSA-N 1 2 328.803 3.216 20 30 EGEDLO C#C[C@H]([NH2+]Cc1ccc(C(=O)NC)cc1)c1ccc(Cl)cc1F ZINC000491667941 459650065 /nfs/dbraw/zinc/65/00/65/459650065.db2.gz SEIXXAMNTPFOLP-KRWDZBQOSA-N 1 2 330.790 3.303 20 30 EGEDLO C#C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000491750696 459667040 /nfs/dbraw/zinc/66/70/40/459667040.db2.gz VMCLGHZIZBKSIH-IBGZPJMESA-N 1 2 333.366 3.175 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000596589695 459687685 /nfs/dbraw/zinc/68/76/85/459687685.db2.gz BTQRQRXYWWWLEJ-WBVHZDCISA-N 1 2 340.471 3.196 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000596589695 459687689 /nfs/dbraw/zinc/68/76/89/459687689.db2.gz BTQRQRXYWWWLEJ-WBVHZDCISA-N 1 2 340.471 3.196 20 30 EGEDLO CC1(C)C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@@H]1c1cccnc1 ZINC000596591383 459687739 /nfs/dbraw/zinc/68/77/39/459687739.db2.gz IKHKDKWRNSKUBI-RBUKOAKNSA-N 1 2 346.434 3.142 20 30 EGEDLO CC1(C)C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@@H]1c1cccnc1 ZINC000596591383 459687743 /nfs/dbraw/zinc/68/77/43/459687743.db2.gz IKHKDKWRNSKUBI-RBUKOAKNSA-N 1 2 346.434 3.142 20 30 EGEDLO COc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c(F)c1 ZINC000563253016 459747993 /nfs/dbraw/zinc/74/79/93/459747993.db2.gz ORAAZYOSIKNAEO-FQEVSTJZSA-N 1 2 339.414 3.217 20 30 EGEDLO CC(C)O[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000593055328 459758468 /nfs/dbraw/zinc/75/84/68/459758468.db2.gz JZHOXKQKXGYGTF-HNNXBMFYSA-N 1 2 335.835 3.040 20 30 EGEDLO CC(C)O[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000593055328 459758472 /nfs/dbraw/zinc/75/84/72/459758472.db2.gz JZHOXKQKXGYGTF-HNNXBMFYSA-N 1 2 335.835 3.040 20 30 EGEDLO CC[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@@H](C)CO1 ZINC000593063422 459761513 /nfs/dbraw/zinc/76/15/13/459761513.db2.gz MWDCQMYGRQGYEG-PKOBYXMFSA-N 1 2 343.471 3.049 20 30 EGEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@@H](C)CO1 ZINC000593063422 459761517 /nfs/dbraw/zinc/76/15/17/459761517.db2.gz MWDCQMYGRQGYEG-PKOBYXMFSA-N 1 2 343.471 3.049 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc2c(cc1Br)OCCCO2 ZINC000563367405 459764713 /nfs/dbraw/zinc/76/47/13/459764713.db2.gz NIKYMQOKUHSDHG-LBPRGKRZSA-N 1 2 339.233 3.392 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1coc2ccc3ccccc3c12 ZINC000574162397 459787181 /nfs/dbraw/zinc/78/71/81/459787181.db2.gz HUKZQVIKJWLLJM-HXUWFJFHSA-N 1 2 335.407 3.089 20 30 EGEDLO Cc1cc2occ(CC(=O)N[C@](C)(C#N)C[NH+](C)C)c2cc1C(C)C ZINC000565751281 459788022 /nfs/dbraw/zinc/78/80/22/459788022.db2.gz AXKLMEWYXCMLQH-HXUWFJFHSA-N 1 2 341.455 3.367 20 30 EGEDLO Cc1cc2occ(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c2cc1C(C)C ZINC000565751280 459788211 /nfs/dbraw/zinc/78/82/11/459788211.db2.gz AXKLMEWYXCMLQH-FQEVSTJZSA-N 1 2 341.455 3.367 20 30 EGEDLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](CCOc1ccc(C#N)cc1)C2 ZINC000528592451 459810853 /nfs/dbraw/zinc/81/08/53/459810853.db2.gz IIENFPVTQFNTJD-UHFFFAOYSA-N 1 2 336.439 3.083 20 30 EGEDLO CC(C)(C)c1ncc2c(n1)CC[N@H+](CCOc1ccc(C#N)cc1)C2 ZINC000528592451 459810855 /nfs/dbraw/zinc/81/08/55/459810855.db2.gz IIENFPVTQFNTJD-UHFFFAOYSA-N 1 2 336.439 3.083 20 30 EGEDLO COc1cccc(C[NH+]2CCN(c3ccsc3C#N)CC2)c1F ZINC000597183591 459866145 /nfs/dbraw/zinc/86/61/45/459866145.db2.gz MKPBWOUAFLWPFS-UHFFFAOYSA-N 1 2 331.416 3.090 20 30 EGEDLO N#C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)c(Cl)c1 ZINC000597199376 459874110 /nfs/dbraw/zinc/87/41/10/459874110.db2.gz RRWBPIMVNINAON-NHYWBVRUSA-N 1 2 349.221 3.133 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cc4cnccc4o3)CC2)cc1 ZINC000593565254 459924635 /nfs/dbraw/zinc/92/46/35/459924635.db2.gz HDXJNSIUSORWTI-UHFFFAOYSA-N 1 2 332.407 3.017 20 30 EGEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC2(CCOC2)CC1 ZINC000588203850 459930998 /nfs/dbraw/zinc/93/09/98/459930998.db2.gz DSKOPSNTFWDKQW-UHFFFAOYSA-N 1 2 335.245 3.323 20 30 EGEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1c(OC)cccc1OC ZINC000602443588 459940731 /nfs/dbraw/zinc/94/07/31/459940731.db2.gz FYOTYOHYUVHYBY-UHFFFAOYSA-N 1 2 340.423 3.224 20 30 EGEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1c(OC)cccc1OC ZINC000602443588 459940736 /nfs/dbraw/zinc/94/07/36/459940736.db2.gz FYOTYOHYUVHYBY-UHFFFAOYSA-N 1 2 340.423 3.224 20 30 EGEDLO COc1cc(C[N@H+](C)Cc2cccc(C#N)n2)c(SC)cc1OC ZINC000602471198 459952678 /nfs/dbraw/zinc/95/26/78/459952678.db2.gz JWDWVRCYCHAHPK-UHFFFAOYSA-N 1 2 343.452 3.324 20 30 EGEDLO COc1cc(C[N@@H+](C)Cc2cccc(C#N)n2)c(SC)cc1OC ZINC000602471198 459952684 /nfs/dbraw/zinc/95/26/84/459952684.db2.gz JWDWVRCYCHAHPK-UHFFFAOYSA-N 1 2 343.452 3.324 20 30 EGEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000598588486 459956340 /nfs/dbraw/zinc/95/63/40/459956340.db2.gz APMARMPQTZGSQZ-XJKSGUPXSA-N 1 2 340.826 3.153 20 30 EGEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000598588486 459956335 /nfs/dbraw/zinc/95/63/35/459956335.db2.gz APMARMPQTZGSQZ-XJKSGUPXSA-N 1 2 340.826 3.153 20 30 EGEDLO C=C(C)[C@H](CC(=O)N(Cc1[nH]cc[nH+]1)c1cncc(C)c1)OCC ZINC000575410143 459971402 /nfs/dbraw/zinc/97/14/02/459971402.db2.gz JJRQMVYLHJXARP-INIZCTEOSA-N 1 2 328.416 3.018 20 30 EGEDLO Cc1cccc([C@@H]2C(=O)NCC[N@H+]2CCC2(C#N)CCCCC2)c1 ZINC000575430010 459974349 /nfs/dbraw/zinc/97/43/49/459974349.db2.gz KZQIHMXXWTYHEE-GOSISDBHSA-N 1 2 325.456 3.332 20 30 EGEDLO Cc1cccc([C@@H]2C(=O)NCC[N@@H+]2CCC2(C#N)CCCCC2)c1 ZINC000575430010 459974356 /nfs/dbraw/zinc/97/43/56/459974356.db2.gz KZQIHMXXWTYHEE-GOSISDBHSA-N 1 2 325.456 3.332 20 30 EGEDLO N#Cc1c(Br)cccc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000589586562 460106377 /nfs/dbraw/zinc/10/63/77/460106377.db2.gz JRKBXCWJZLBWNR-LBPRGKRZSA-N 1 2 343.228 3.407 20 30 EGEDLO C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1cccc(C#N)c1 ZINC000610360417 460134149 /nfs/dbraw/zinc/13/41/49/460134149.db2.gz YPEJRDPYFMPNFJ-OAHLLOKOSA-N 1 2 330.391 3.294 20 30 EGEDLO COc1ccc2[nH+]c(N3CC[C@@H](Oc4ccc(C#N)cn4)C3)ccc2c1 ZINC000589871308 460153420 /nfs/dbraw/zinc/15/34/20/460153420.db2.gz LVRWUXDYSIMMOQ-QGZVFWFLSA-N 1 2 346.390 3.168 20 30 EGEDLO C[C@@H](CC#N)[NH2+]CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000602864621 460164570 /nfs/dbraw/zinc/16/45/70/460164570.db2.gz SDQHSWUKGDITFQ-LIRRHRJNSA-N 1 2 341.842 3.437 20 30 EGEDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH2+][C@H](C)CC#N)cc1OC ZINC000602868213 460164758 /nfs/dbraw/zinc/16/47/58/460164758.db2.gz IDRVEHBYCYGUCK-CHWSQXEVSA-N 1 2 335.404 3.420 20 30 EGEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000594286279 460181053 /nfs/dbraw/zinc/18/10/53/460181053.db2.gz RGAHFKHYXFWHOV-NOZJJQNGSA-N 1 2 337.210 3.276 20 30 EGEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000594286279 460181054 /nfs/dbraw/zinc/18/10/54/460181054.db2.gz RGAHFKHYXFWHOV-NOZJJQNGSA-N 1 2 337.210 3.276 20 30 EGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2c(F)ccc(O)c2F)CC1 ZINC000576690259 460194454 /nfs/dbraw/zinc/19/44/54/460194454.db2.gz QNIYSLCMJWOQPZ-UHFFFAOYSA-N 1 2 329.350 3.123 20 30 EGEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000618854446 460198352 /nfs/dbraw/zinc/19/83/52/460198352.db2.gz WVINTBUUMHAQGE-SJORKVTESA-N 1 2 335.411 3.205 20 30 EGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000611033987 460280205 /nfs/dbraw/zinc/28/02/05/460280205.db2.gz YVBOUCSDDZYNBF-UHFFFAOYSA-N 1 2 342.365 3.278 20 30 EGEDLO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611174676 460301790 /nfs/dbraw/zinc/30/17/90/460301790.db2.gz ONEVKFKFAHRHFG-DLBZAZTESA-N 1 2 342.487 3.058 20 30 EGEDLO Cc1nc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)sc1C ZINC000611550317 460395892 /nfs/dbraw/zinc/39/58/92/460395892.db2.gz CRMIQLJNGQWAKV-KRWDZBQOSA-N 1 2 344.459 3.282 20 30 EGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000619723018 460422421 /nfs/dbraw/zinc/42/24/21/460422421.db2.gz FODQTAIHQFLCLO-UHFFFAOYSA-N 1 2 340.358 3.186 20 30 EGEDLO COc1ccc(C#N)cc1C[N@@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000616132137 460479970 /nfs/dbraw/zinc/47/99/70/460479970.db2.gz KFIPATIUYNZMGV-HNNXBMFYSA-N 1 2 339.414 3.417 20 30 EGEDLO COc1ccc(C#N)cc1C[N@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000616132137 460479975 /nfs/dbraw/zinc/47/99/75/460479975.db2.gz KFIPATIUYNZMGV-HNNXBMFYSA-N 1 2 339.414 3.417 20 30 EGEDLO C=CC[C@@H]1CCCN(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)C1 ZINC000666395918 461603372 /nfs/dbraw/zinc/60/33/72/461603372.db2.gz HCXVHXMECBFBPR-MRXNPFEDSA-N 1 2 344.459 3.047 20 30 EGEDLO C=CCCn1cc(C[NH2+][C@H](C)c2nc3ccccc3n2C(F)F)nn1 ZINC000653632039 461771042 /nfs/dbraw/zinc/77/10/42/461771042.db2.gz CXILOXIARJWCJQ-GFCCVEGCSA-N 1 2 346.385 3.450 20 30 EGEDLO C=CCCn1cc(C[N@H+](CCc2ccccc2)Cc2cccnc2)nn1 ZINC000653642494 461777947 /nfs/dbraw/zinc/77/79/47/461777947.db2.gz GYUKNIZQLIWYMD-UHFFFAOYSA-N 1 2 347.466 3.494 20 30 EGEDLO C=CCCn1cc(C[N@@H+](CCc2ccccc2)Cc2cccnc2)nn1 ZINC000653642494 461777957 /nfs/dbraw/zinc/77/79/57/461777957.db2.gz GYUKNIZQLIWYMD-UHFFFAOYSA-N 1 2 347.466 3.494 20 30 EGEDLO COC[C@@H](C)n1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c1C ZINC000661150827 462124366 /nfs/dbraw/zinc/12/43/66/462124366.db2.gz SHFIEEDKMOHJDJ-WBVHZDCISA-N 1 2 331.460 3.121 20 30 EGEDLO COC[C@@H](C)n1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c1C ZINC000661150827 462124374 /nfs/dbraw/zinc/12/43/74/462124374.db2.gz SHFIEEDKMOHJDJ-WBVHZDCISA-N 1 2 331.460 3.121 20 30 EGEDLO C=CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2)n1C)[C@@H](C)COC ZINC000661239907 462165431 /nfs/dbraw/zinc/16/54/31/462165431.db2.gz JYANTXARSCQSHZ-ZDUSSCGKSA-N 1 2 334.851 3.158 20 30 EGEDLO C=CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2)n1C)[C@@H](C)COC ZINC000661239907 462165439 /nfs/dbraw/zinc/16/54/39/462165439.db2.gz JYANTXARSCQSHZ-ZDUSSCGKSA-N 1 2 334.851 3.158 20 30 EGEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ccc(C#N)c(C)n2)cc1 ZINC000487896303 468058944 /nfs/dbraw/zinc/05/89/44/468058944.db2.gz KNMFHPFMWOAUEY-LJQANCHMSA-N 1 2 336.439 3.056 20 30 EGEDLO O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)[C@@H]1CC=CCC1 ZINC000329289708 547494199 /nfs/dbraw/zinc/49/41/99/547494199.db2.gz AGIVOKWXBXNCQE-CYBMUJFWSA-N 1 2 326.400 3.344 20 30 EGEDLO C=C(C)CN(Cc1cn2cccc(C)c2[nH+]1)Cc1ccc(CO)o1 ZINC000671720846 548342705 /nfs/dbraw/zinc/34/27/05/548342705.db2.gz UJQUKDKHGGNLEZ-UHFFFAOYSA-N 1 2 325.412 3.306 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cn2cccc(C)c2n1)Cc1ccc(CO)o1 ZINC000671720846 548342710 /nfs/dbraw/zinc/34/27/10/548342710.db2.gz UJQUKDKHGGNLEZ-UHFFFAOYSA-N 1 2 325.412 3.306 20 30 EGEDLO C=C(C)C[N@H+](Cc1cn2cccc(C)c2n1)Cc1ccc(CO)o1 ZINC000671720846 548342712 /nfs/dbraw/zinc/34/27/12/548342712.db2.gz UJQUKDKHGGNLEZ-UHFFFAOYSA-N 1 2 325.412 3.306 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000682361071 550089188 /nfs/dbraw/zinc/08/91/88/550089188.db2.gz IBNDIHPJCQXDAD-KXBFYZLASA-N 1 2 333.476 3.433 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000682361071 550089190 /nfs/dbraw/zinc/08/91/90/550089190.db2.gz IBNDIHPJCQXDAD-KXBFYZLASA-N 1 2 333.476 3.433 20 30 EGEDLO CC(C)C[N@H+](CCC#N)CC(=O)NC[C@@H](c1ccccc1)C(C)C ZINC000739914658 574576512 /nfs/dbraw/zinc/57/65/12/574576512.db2.gz MVJOYRRJMTUTQR-LJQANCHMSA-N 1 2 329.488 3.414 20 30 EGEDLO CC(C)C[N@@H+](CCC#N)CC(=O)NC[C@@H](c1ccccc1)C(C)C ZINC000739914658 574576513 /nfs/dbraw/zinc/57/65/13/574576513.db2.gz MVJOYRRJMTUTQR-LJQANCHMSA-N 1 2 329.488 3.414 20 30 EGEDLO CC(C)C[N@H+](CCC#N)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728898285 574785177 /nfs/dbraw/zinc/78/51/77/574785177.db2.gz FFVTYNMCASIKIA-UHFFFAOYSA-N 1 2 327.388 3.287 20 30 EGEDLO CC(C)C[N@@H+](CCC#N)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728898285 574785179 /nfs/dbraw/zinc/78/51/79/574785179.db2.gz FFVTYNMCASIKIA-UHFFFAOYSA-N 1 2 327.388 3.287 20 30 EGEDLO COc1cc2c(cc1C=NNc1cc[nH+]c3ccccc13)O[C@@H](C)C2 ZINC000730147399 574925375 /nfs/dbraw/zinc/92/53/75/574925375.db2.gz DGXIEFZXVOBVJU-ZDUSSCGKSA-N 1 2 333.391 3.435 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000732058659 575235384 /nfs/dbraw/zinc/23/53/84/575235384.db2.gz VCFVOJVGTFFATN-KRWDZBQOSA-N 1 2 339.370 3.049 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000732058659 575235386 /nfs/dbraw/zinc/23/53/86/575235386.db2.gz VCFVOJVGTFFATN-KRWDZBQOSA-N 1 2 339.370 3.049 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc(-c2ccc(C)cc2C)cs1 ZINC000734433442 575487472 /nfs/dbraw/zinc/48/74/72/575487472.db2.gz FKRVNYVBHYCNDM-KRWDZBQOSA-N 1 2 339.464 3.463 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc(-c2ccc(C)cc2C)cs1 ZINC000734433442 575487474 /nfs/dbraw/zinc/48/74/74/575487474.db2.gz FKRVNYVBHYCNDM-KRWDZBQOSA-N 1 2 339.464 3.463 20 30 EGEDLO C[C@@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000734532396 575510492 /nfs/dbraw/zinc/51/04/92/575510492.db2.gz LUXFVRHAZNTETE-INIZCTEOSA-N 1 2 342.487 3.068 20 30 EGEDLO COc1c(C)c[nH+]c(COC(=O)[C@H](C)Oc2ccc(C#N)cc2)c1C ZINC000736754618 576020927 /nfs/dbraw/zinc/02/09/27/576020927.db2.gz FRZPYEHSRBVWGZ-AWEZNQCLSA-N 1 2 340.379 3.089 20 30 EGEDLO C=CC[N@H+](CCc1ccccc1)CN1C(=O)CC2(CCCCC2)C1=O ZINC000744153746 576821651 /nfs/dbraw/zinc/82/16/51/576821651.db2.gz DULFAKINIMWFAJ-UHFFFAOYSA-N 1 2 340.467 3.384 20 30 EGEDLO C=CC[N@@H+](CCc1ccccc1)CN1C(=O)CC2(CCCCC2)C1=O ZINC000744153746 576821652 /nfs/dbraw/zinc/82/16/52/576821652.db2.gz DULFAKINIMWFAJ-UHFFFAOYSA-N 1 2 340.467 3.384 20 30 EGEDLO C#CCOc1ccc(C(=O)OCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000745215208 576843636 /nfs/dbraw/zinc/84/36/36/576843636.db2.gz PYXCALXQAPSYTJ-UHFFFAOYSA-N 1 2 325.364 3.076 20 30 EGEDLO NC(Cc1cccnc1)=[NH+]OCc1coc(-c2c(F)cccc2F)n1 ZINC000092914045 1292899567 /nfs/dbraw/zinc/89/95/67/1292899567.db2.gz OGGXQNAVUQJXNY-UHFFFAOYSA-N 1 2 344.321 3.046 20 30 EGEDLO Cc1cccc(NC(=O)CO[NH+]=C(N)Cc2ccc(Cl)cc2)c1C ZINC000106067395 1293047340 /nfs/dbraw/zinc/04/73/40/1293047340.db2.gz HBFQHRGTMNVTBQ-UHFFFAOYSA-N 1 2 345.830 3.427 20 30 EGEDLO CCc1ccc(NC(=O)CO[NH+]=C(N)Cc2ccccc2Cl)cc1 ZINC000109012197 1293084988 /nfs/dbraw/zinc/08/49/88/1293084988.db2.gz JGDVPXYEELJFET-UHFFFAOYSA-N 1 2 345.830 3.372 20 30 EGEDLO CCCCCCCCc1nnc(NC(=O)[C@H]2CSC[NH2+]2)s1 ZINC000133354767 1293742891 /nfs/dbraw/zinc/74/28/91/1293742891.db2.gz XYJBPIPONHQORQ-LLVKDONJSA-N 1 2 328.507 3.042 20 30 EGEDLO C#CCOc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000151794691 1293939560 /nfs/dbraw/zinc/93/95/60/1293939560.db2.gz BUNDPFMGQKIQIW-UHFFFAOYSA-N 1 2 335.338 3.276 20 30 EGEDLO C#CCCCCC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000179645572 1294812467 /nfs/dbraw/zinc/81/24/67/1294812467.db2.gz AXKRTMSXKXHQFL-UHFFFAOYSA-N 1 2 348.874 3.057 20 30 EGEDLO N#CC1(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCC1 ZINC000183874834 1295155311 /nfs/dbraw/zinc/15/53/11/1295155311.db2.gz WCDRKVKNTMQGMF-UHFFFAOYSA-N 1 2 340.339 3.021 20 30 EGEDLO Oc1ccc(/C=[NH+]\CCCCOCCc2ccccc2)c(O)c1O ZINC000255545537 1296543883 /nfs/dbraw/zinc/54/38/83/1296543883.db2.gz GSLUJLYINXDLGJ-ZHZULCJRSA-N 1 2 329.396 3.262 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)C2CCCCC2)C1 ZINC000586066159 1298048082 /nfs/dbraw/zinc/04/80/82/1298048082.db2.gz QMEPXGFLJHIHSX-IBGZPJMESA-N 1 2 325.456 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)C2CCCCC2)C1 ZINC000586066159 1298048094 /nfs/dbraw/zinc/04/80/94/1298048094.db2.gz QMEPXGFLJHIHSX-IBGZPJMESA-N 1 2 325.456 3.219 20 30 EGEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc2ccoc2)cc1 ZINC000745983481 1298507610 /nfs/dbraw/zinc/50/76/10/1298507610.db2.gz RFYNKTRQAZXTBF-MRXNPFEDSA-N 1 2 325.412 3.355 20 30 EGEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc2ccoc2)cc1 ZINC000745983481 1298507615 /nfs/dbraw/zinc/50/76/15/1298507615.db2.gz RFYNKTRQAZXTBF-MRXNPFEDSA-N 1 2 325.412 3.355 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H](CC)C2)c1=S ZINC000746383822 1298577152 /nfs/dbraw/zinc/57/71/52/1298577152.db2.gz VXPYGEFYBFCSDD-DOTOQJQBSA-N 1 2 343.500 3.468 20 30 EGEDLO C=CCn1nnn(C[N@H+]2CC[C@@H](c3ccccc3)[C@@H](CC)C2)c1=S ZINC000746383822 1298577157 /nfs/dbraw/zinc/57/71/57/1298577157.db2.gz VXPYGEFYBFCSDD-DOTOQJQBSA-N 1 2 343.500 3.468 20 30 EGEDLO C#CC[N@@H+](CC)CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000746456874 1298590449 /nfs/dbraw/zinc/59/04/49/1298590449.db2.gz PCWRGWJZKQJMQM-UHFFFAOYSA-N 1 2 338.455 3.063 20 30 EGEDLO C#CC[N@H+](CC)CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000746456874 1298590453 /nfs/dbraw/zinc/59/04/53/1298590453.db2.gz PCWRGWJZKQJMQM-UHFFFAOYSA-N 1 2 338.455 3.063 20 30 EGEDLO Cc1ccc([N+](=O)[O-])cc1N[NH+]=Cc1ccc(N2CCOCC2)s1 ZINC000747062037 1298718582 /nfs/dbraw/zinc/71/85/82/1298718582.db2.gz RUEKMVUIUVKRTQ-UHFFFAOYSA-N 1 2 346.412 3.247 20 30 EGEDLO COc1cc(NC(C)=O)ccc1C(=O)/C=C\c1c[nH+]c2ccccn12 ZINC000747705060 1298837140 /nfs/dbraw/zinc/83/71/40/1298837140.db2.gz KIYIVZXKSXKAJM-CLFYSBASSA-N 1 2 335.363 3.197 20 30 EGEDLO C#CCNC(=O)C[NH2+][C@H](c1ccc(C)cc1)c1ccc(F)cc1Cl ZINC000749272316 1299184002 /nfs/dbraw/zinc/18/40/02/1299184002.db2.gz MRELOQCMLAHAEP-LJQANCHMSA-N 1 2 344.817 3.216 20 30 EGEDLO CC[NH+](CC)Cc1csc(NC(=O)Cc2ccc(C#N)cc2)n1 ZINC000749847229 1299285965 /nfs/dbraw/zinc/28/59/65/1299285965.db2.gz BLFCLPSJVMAYIY-UHFFFAOYSA-N 1 2 328.441 3.038 20 30 EGEDLO C[C@@H]1CC(=NN2C(=S)N=NC2c2cccc(Cl)c2)C[N@@H+]1C1CC1 ZINC000753956890 1300052161 /nfs/dbraw/zinc/05/21/61/1300052161.db2.gz YGJTWBXHKKNOTK-SNVBAGLBSA-N 1 2 347.875 3.348 20 30 EGEDLO C[C@@H]1CC(=NN2C(=S)N=NC2c2cccc(Cl)c2)C[N@H+]1C1CC1 ZINC000753956890 1300052169 /nfs/dbraw/zinc/05/21/69/1300052169.db2.gz YGJTWBXHKKNOTK-SNVBAGLBSA-N 1 2 347.875 3.348 20 30 EGEDLO C=CCc1cc(OC)cc(C[N@H+]2C[C@H](C(F)(F)F)O[C@@H](C)C2)c1O ZINC000754736404 1300203510 /nfs/dbraw/zinc/20/35/10/1300203510.db2.gz KDHZFVRSXHXIHX-XHDPSFHLSA-N 1 2 345.361 3.281 20 30 EGEDLO C=CCc1cc(OC)cc(C[N@@H+]2C[C@H](C(F)(F)F)O[C@@H](C)C2)c1O ZINC000754736404 1300203520 /nfs/dbraw/zinc/20/35/20/1300203520.db2.gz KDHZFVRSXHXIHX-XHDPSFHLSA-N 1 2 345.361 3.281 20 30 EGEDLO C=CCc1cc(C[N@@H+]2C[C@H](C)O[C@H](C(F)(F)F)C2)c(O)c(OC)c1 ZINC000754736098 1300204753 /nfs/dbraw/zinc/20/47/53/1300204753.db2.gz FXQUDHQXCHINJK-NHYWBVRUSA-N 1 2 345.361 3.281 20 30 EGEDLO C=CCc1cc(C[N@H+]2C[C@H](C)O[C@H](C(F)(F)F)C2)c(O)c(OC)c1 ZINC000754736098 1300204764 /nfs/dbraw/zinc/20/47/64/1300204764.db2.gz FXQUDHQXCHINJK-NHYWBVRUSA-N 1 2 345.361 3.281 20 30 EGEDLO Cc1nc2sc3c(c2c(N=NCc2c[nH+]cn2C)n1)CCCC3 ZINC000755522330 1300353413 /nfs/dbraw/zinc/35/34/13/1300353413.db2.gz ZNGAOJFGSCXGHO-UHFFFAOYSA-N 1 2 326.429 3.058 20 30 EGEDLO COCC[C@@H](C)O[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000755944314 1300419994 /nfs/dbraw/zinc/41/99/94/1300419994.db2.gz WDKLSHFJZPSIQQ-OAHLLOKOSA-N 1 2 328.412 3.328 20 30 EGEDLO C=CC[C@@H](CO)C[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756785073 1300565244 /nfs/dbraw/zinc/56/52/44/1300565244.db2.gz AGTXCCFNSGPERH-NXEZZACHSA-N 1 2 332.213 3.129 20 30 EGEDLO N#Cc1cccn(C[N@@H+](Cc2ccc(F)cc2F)C2CCCC2)c1=O ZINC000758207889 1300814606 /nfs/dbraw/zinc/81/46/06/1300814606.db2.gz DISQXYLRMUDPHB-UHFFFAOYSA-N 1 2 343.377 3.400 20 30 EGEDLO N#Cc1cccn(C[N@H+](Cc2ccc(F)cc2F)C2CCCC2)c1=O ZINC000758207889 1300814624 /nfs/dbraw/zinc/81/46/24/1300814624.db2.gz DISQXYLRMUDPHB-UHFFFAOYSA-N 1 2 343.377 3.400 20 30 EGEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(C#N)c(F)cc1F ZINC000880715035 1301238127 /nfs/dbraw/zinc/23/81/27/1301238127.db2.gz HNLCICOHOWSALS-HNNXBMFYSA-N 1 2 347.369 3.269 20 30 EGEDLO N#Cc1c2c(cn(C[N@@H+]3CCC[C@H]3/C=C\c3ccccc3)c1=O)CCC2 ZINC000766633191 1302493998 /nfs/dbraw/zinc/49/39/98/1302493998.db2.gz QAIHLJGWESXMOJ-JZHDPFOFSA-N 1 2 345.446 3.344 20 30 EGEDLO N#Cc1c2c(cn(C[N@H+]3CCC[C@H]3/C=C\c3ccccc3)c1=O)CCC2 ZINC000766633191 1302494005 /nfs/dbraw/zinc/49/40/05/1302494005.db2.gz QAIHLJGWESXMOJ-JZHDPFOFSA-N 1 2 345.446 3.344 20 30 EGEDLO CCOc1ccc(CNc2[nH+]cccc2OCCCC#N)c(O)c1 ZINC000767295017 1302630661 /nfs/dbraw/zinc/63/06/61/1302630661.db2.gz XGSKWFXNOLZUTC-UHFFFAOYSA-N 1 2 327.384 3.481 20 30 EGEDLO Cc1c(C(=O)/C=C/c2cccc3[nH+]ccn32)nnn1-c1ccccc1 ZINC000769608360 1303146576 /nfs/dbraw/zinc/14/65/76/1303146576.db2.gz SHTRVXMGIGIVBO-ZHACJKMWSA-N 1 2 329.363 3.120 20 30 EGEDLO O=[N+]([O-])c1cc(C=[NH+]NCC(F)(F)F)ccc1N1CCCCC1 ZINC000769824479 1303181019 /nfs/dbraw/zinc/18/10/19/1303181019.db2.gz KLTBZPMURXLXHL-UHFFFAOYSA-N 1 2 330.310 3.071 20 30 EGEDLO CCCCCCCCCNC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000774079618 1303771319 /nfs/dbraw/zinc/77/13/19/1303771319.db2.gz VMNZKIHCAXGKCK-UHFFFAOYSA-N 1 2 344.459 3.448 20 30 EGEDLO CC[N@H+](C)[C@@H](C(=O)OCc1cccc(C#N)c1F)c1ccccc1 ZINC000774959427 1303882889 /nfs/dbraw/zinc/88/28/89/1303882889.db2.gz HIMRBFJVNXMMRT-GOSISDBHSA-N 1 2 326.371 3.434 20 30 EGEDLO CC[N@@H+](C)[C@@H](C(=O)OCc1cccc(C#N)c1F)c1ccccc1 ZINC000774959427 1303882894 /nfs/dbraw/zinc/88/28/94/1303882894.db2.gz HIMRBFJVNXMMRT-GOSISDBHSA-N 1 2 326.371 3.434 20 30 EGEDLO N#Cc1ccc(C2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)cc1 ZINC000887695745 1303895686 /nfs/dbraw/zinc/89/56/86/1303895686.db2.gz DKQPRFPAASANCO-UHFFFAOYSA-N 1 2 330.391 3.454 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1csc(Nc2ccccc2C)n1)[C@H]1CCCO1 ZINC000775800812 1304039004 /nfs/dbraw/zinc/03/90/04/1304039004.db2.gz RDLRPBKSTOFSOG-NVXWUHKLSA-N 1 2 327.453 3.466 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)cs2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000775969052 1304071149 /nfs/dbraw/zinc/07/11/49/1304071149.db2.gz PDZHAQCEQYRJKE-QWHCGFSZSA-N 1 2 335.473 3.449 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000775969052 1304071153 /nfs/dbraw/zinc/07/11/53/1304071153.db2.gz PDZHAQCEQYRJKE-QWHCGFSZSA-N 1 2 335.473 3.449 20 30 EGEDLO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@@H+]1Cc1cc(C#N)cs1 ZINC000775969050 1304071749 /nfs/dbraw/zinc/07/17/49/1304071749.db2.gz PDZHAQCEQYRJKE-OLZOCXBDSA-N 1 2 335.473 3.449 20 30 EGEDLO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@H+]1Cc1cc(C#N)cs1 ZINC000775969050 1304071754 /nfs/dbraw/zinc/07/17/54/1304071754.db2.gz PDZHAQCEQYRJKE-OLZOCXBDSA-N 1 2 335.473 3.449 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000776790919 1304199972 /nfs/dbraw/zinc/19/99/72/1304199972.db2.gz MWHRLVLBJYITFE-HNNXBMFYSA-N 1 2 329.444 3.308 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000776790919 1304199969 /nfs/dbraw/zinc/19/99/69/1304199969.db2.gz MWHRLVLBJYITFE-HNNXBMFYSA-N 1 2 329.444 3.308 20 30 EGEDLO COC[C@H](C)NN=C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000777891291 1304361799 /nfs/dbraw/zinc/36/17/99/1304361799.db2.gz NTZLMFPBUITXDP-LBPRGKRZSA-N 1 2 327.831 3.055 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000778584313 1304470870 /nfs/dbraw/zinc/47/08/70/1304470870.db2.gz CEPDZIJEYKDEGM-KRWDZBQOSA-N 1 2 342.414 3.423 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000778584313 1304470875 /nfs/dbraw/zinc/47/08/75/1304470875.db2.gz CEPDZIJEYKDEGM-KRWDZBQOSA-N 1 2 342.414 3.423 20 30 EGEDLO C[C@@H]1C[NH+]=C(NN=Cc2c(Cl)cccc2Oc2ccccc2)N1 ZINC000779791528 1304605173 /nfs/dbraw/zinc/60/51/73/1304605173.db2.gz KEPUTIALGZMSDS-GFCCVEGCSA-N 1 2 328.803 3.404 20 30 EGEDLO CC1(C)C[C@@H](N[NH+]=Cc2sc(N3CCCC3)nc2Cl)CCO1 ZINC000780252425 1304665085 /nfs/dbraw/zinc/66/50/85/1304665085.db2.gz IGLJXNVTFJTAQJ-NSHDSACASA-N 1 2 342.896 3.278 20 30 EGEDLO N#Cc1ccccc1OCCO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000782324951 1304954301 /nfs/dbraw/zinc/95/43/01/1304954301.db2.gz FIKHXRGFIOPJAF-UHFFFAOYSA-N 1 2 329.787 3.332 20 30 EGEDLO Cc1cccn2c(C=CC(=O)c3ccc(N4CCNC4=O)cc3)c[nH+]c12 ZINC000782371360 1304963923 /nfs/dbraw/zinc/96/39/23/1304963923.db2.gz XRAVBLNKXFLBQG-HJWRWDBZSA-N 1 2 346.390 3.068 20 30 EGEDLO CSc1cc(Br)ccc1C=NNc1[nH+]ccn1C ZINC000790299385 1306293678 /nfs/dbraw/zinc/29/36/78/1306293678.db2.gz AQEROFDNTQHKFX-UHFFFAOYSA-N 1 2 325.235 3.351 20 30 EGEDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)COc1ccc(C#N)cc1 ZINC000791266068 1308942934 /nfs/dbraw/zinc/94/29/34/1308942934.db2.gz DKKHAUVEKSBCII-UHFFFAOYSA-N 1 2 347.374 3.175 20 30 EGEDLO C[C@@]12CC[N@H+](CC(=O)Nc3ccc(C#N)cc3)C[C@@H]1C2(Cl)Cl ZINC000792911974 1309257571 /nfs/dbraw/zinc/25/75/71/1309257571.db2.gz SEYLPRJEMDFDPU-DZGCQCFKSA-N 1 2 338.238 3.012 20 30 EGEDLO C[C@@]12CC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)C[C@@H]1C2(Cl)Cl ZINC000792911974 1309257580 /nfs/dbraw/zinc/25/75/80/1309257580.db2.gz SEYLPRJEMDFDPU-DZGCQCFKSA-N 1 2 338.238 3.012 20 30 EGEDLO N#Cc1ncc(C(F)(F)F)cc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895346889 1309292088 /nfs/dbraw/zinc/29/20/88/1309292088.db2.gz MWIHSMPVDOZSAJ-UHFFFAOYSA-N 1 2 347.344 3.448 20 30 EGEDLO C#C[C@H](NC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1)c1ccc(Cl)cc1 ZINC000794071030 1309467869 /nfs/dbraw/zinc/46/78/69/1309467869.db2.gz QOVCMDJWUQAUOZ-FGTMMUONSA-N 1 2 348.874 3.020 20 30 EGEDLO C#C[C@H](NC(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1)c1ccc(Cl)cc1 ZINC000794071030 1309467878 /nfs/dbraw/zinc/46/78/78/1309467878.db2.gz QOVCMDJWUQAUOZ-FGTMMUONSA-N 1 2 348.874 3.020 20 30 EGEDLO C=CCn1nnn(C[N@H+]2CC[C@@H](c3ccc(C)cc3C)C2)c1=S ZINC000794667444 1309567841 /nfs/dbraw/zinc/56/78/41/1309567841.db2.gz WJMMJFFYHKGODV-OAHLLOKOSA-N 1 2 329.473 3.059 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2CC[C@@H](c3ccc(C)cc3C)C2)c1=S ZINC000794667444 1309567849 /nfs/dbraw/zinc/56/78/49/1309567849.db2.gz WJMMJFFYHKGODV-OAHLLOKOSA-N 1 2 329.473 3.059 20 30 EGEDLO CC(=O)Nc1cccc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)c1 ZINC000794690088 1309576984 /nfs/dbraw/zinc/57/69/84/1309576984.db2.gz HPEYZFZHIINOIC-FPLPWBNLSA-N 1 2 329.425 3.059 20 30 EGEDLO C[C@H]1CC[C@H](c2ccccc2)[N@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000795697946 1309812280 /nfs/dbraw/zinc/81/22/80/1309812280.db2.gz CWRGAWVQNFKSAM-GOEBONIOSA-N 1 2 341.484 3.448 20 30 EGEDLO C[C@H]1CC[C@H](c2ccccc2)[N@@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000795697946 1309812283 /nfs/dbraw/zinc/81/22/83/1309812283.db2.gz CWRGAWVQNFKSAM-GOEBONIOSA-N 1 2 341.484 3.448 20 30 EGEDLO Cc1cc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(C)s1 ZINC000798274637 1310333155 /nfs/dbraw/zinc/33/31/55/1310333155.db2.gz HVIBFWUUGFVGFB-CABCVRRESA-N 1 2 335.473 3.214 20 30 EGEDLO C#C[C@H](CCC)NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000836422120 1320486457 /nfs/dbraw/zinc/48/64/57/1320486457.db2.gz BJEJQXGEHJLOJS-CYBMUJFWSA-N 1 2 330.819 3.127 20 30 EGEDLO C[C@@H](CCC#N)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000839459811 1320924971 /nfs/dbraw/zinc/92/49/71/1320924971.db2.gz UOHWAACKYHARNS-AWEZNQCLSA-N 1 2 341.377 3.395 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(F)c(F)cc2Cl)C1 ZINC000957345495 1317297535 /nfs/dbraw/zinc/29/75/35/1317297535.db2.gz KRMYJKXCHUBLTA-UHFFFAOYSA-N 1 2 328.790 3.341 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC000957409438 1317341388 /nfs/dbraw/zinc/34/13/88/1317341388.db2.gz YAZAYIRCQPCWOX-JKSUJKDBSA-N 1 2 334.410 3.177 20 30 EGEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2Cc3cccc(Cl)c3C2)cc1 ZINC000805805460 1317426452 /nfs/dbraw/zinc/42/64/52/1317426452.db2.gz SLRUQUKYDZMBLJ-INIZCTEOSA-N 1 2 342.826 3.162 20 30 EGEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2Cc3cccc(Cl)c3C2)cc1 ZINC000805805460 1317426455 /nfs/dbraw/zinc/42/64/55/1317426455.db2.gz SLRUQUKYDZMBLJ-INIZCTEOSA-N 1 2 342.826 3.162 20 30 EGEDLO CN(C)C(=O)c1cccc(CNc2[nH+]cccc2OCCCC#N)c1 ZINC000902067136 1317516345 /nfs/dbraw/zinc/51/63/45/1317516345.db2.gz LHKICYGLCPNGGF-UHFFFAOYSA-N 1 2 338.411 3.078 20 30 EGEDLO C=C[C@H](C(=O)N1CC[NH+](Cc2ncccc2C)CC1)c1ccccc1 ZINC000957744067 1317609563 /nfs/dbraw/zinc/60/95/63/1317609563.db2.gz JQECFYHZOBYRAS-IBGZPJMESA-N 1 2 335.451 3.004 20 30 EGEDLO Cc1ccccc1[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000957747690 1317613052 /nfs/dbraw/zinc/61/30/52/1317613052.db2.gz YYSXDFIPIBEWQC-SFHVURJKSA-N 1 2 347.462 3.315 20 30 EGEDLO CC1(C#N)CC[NH+](CN2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000808176469 1317640032 /nfs/dbraw/zinc/64/00/32/1317640032.db2.gz GABPWVAJKPFNRX-UHFFFAOYSA-N 1 2 332.835 3.165 20 30 EGEDLO N#Cc1ccc([C@@H]([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)C(N)=O)cc1 ZINC000905854192 1318008317 /nfs/dbraw/zinc/00/83/17/1318008317.db2.gz DFAIITLKSPBRNQ-PKOBYXMFSA-N 1 2 347.418 3.121 20 30 EGEDLO N#C[C@H](OC(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CCCCC1 ZINC000810711946 1318047372 /nfs/dbraw/zinc/04/73/72/1318047372.db2.gz UTDAXRKMLXGVMO-IBGZPJMESA-N 1 2 337.423 3.490 20 30 EGEDLO C=C1CC(C)(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H](C)c2csnn2)C1 ZINC001021373109 1318217630 /nfs/dbraw/zinc/21/76/30/1318217630.db2.gz DKLZZOJKDPMQNQ-FFHGMXDLSA-N 1 2 346.500 3.067 20 30 EGEDLO C=C1CC(C)(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)c2csnn2)C1 ZINC001021373109 1318217635 /nfs/dbraw/zinc/21/76/35/1318217635.db2.gz DKLZZOJKDPMQNQ-FFHGMXDLSA-N 1 2 346.500 3.067 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccccc1)CN1C(=O)C(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000811770024 1318259604 /nfs/dbraw/zinc/25/96/04/1318259604.db2.gz KMAZDMRGPGSEPM-MOPGFXCFSA-N 1 2 342.483 3.438 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccccc1)CN1C(=O)C(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000811770024 1318259610 /nfs/dbraw/zinc/25/96/10/1318259610.db2.gz KMAZDMRGPGSEPM-MOPGFXCFSA-N 1 2 342.483 3.438 20 30 EGEDLO C#CCCOc1ccc(C[NH2+][C@H](C)c2ncc(C(=O)OC)s2)cc1 ZINC000818232204 1319523701 /nfs/dbraw/zinc/52/37/01/1319523701.db2.gz VIUXNJSUKIFNEI-CYBMUJFWSA-N 1 2 344.436 3.183 20 30 EGEDLO Cc1sc2ncn(N=Cc3ccc(-n4cc[nH+]c4)cc3)c(=O)c2c1C ZINC000917025937 1319741861 /nfs/dbraw/zinc/74/18/61/1319741861.db2.gz JJYCIDDDDJCLMA-UHFFFAOYSA-N 1 2 349.419 3.143 20 30 EGEDLO CCOc1cc(-c2noc([C@H]([NH3+])CCCC#N)n2)cc(Cl)c1O ZINC000823052819 1320149606 /nfs/dbraw/zinc/14/96/06/1320149606.db2.gz XKCRWMTZWCDWRB-LLVKDONJSA-N 1 2 336.779 3.188 20 30 EGEDLO N#Cc1ccc(F)c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000823214640 1320162341 /nfs/dbraw/zinc/16/23/41/1320162341.db2.gz GHUAPVIYNGBGMN-UHFFFAOYSA-N 1 2 344.415 3.392 20 30 EGEDLO CC[N@@H+](Cc1c[nH]c(C(=O)OCc2ccccc2)c1)C[C@H](C)C#N ZINC000823408553 1320176893 /nfs/dbraw/zinc/17/68/93/1320176893.db2.gz LJYKSTIKSJVXGI-OAHLLOKOSA-N 1 2 325.412 3.353 20 30 EGEDLO CC[N@H+](Cc1c[nH]c(C(=O)OCc2ccccc2)c1)C[C@H](C)C#N ZINC000823408553 1320176897 /nfs/dbraw/zinc/17/68/97/1320176897.db2.gz LJYKSTIKSJVXGI-OAHLLOKOSA-N 1 2 325.412 3.353 20 30 EGEDLO N#CCC[N@@H+](Cc1c[nH]c(C(=O)OCc2ccccc2)c1)CC1CC1 ZINC000823437949 1320180009 /nfs/dbraw/zinc/18/00/09/1320180009.db2.gz QUXAJOLKBCPEAU-UHFFFAOYSA-N 1 2 337.423 3.497 20 30 EGEDLO N#CCC[N@H+](Cc1c[nH]c(C(=O)OCc2ccccc2)c1)CC1CC1 ZINC000823437949 1320180011 /nfs/dbraw/zinc/18/00/11/1320180011.db2.gz QUXAJOLKBCPEAU-UHFFFAOYSA-N 1 2 337.423 3.497 20 30 EGEDLO Cc1nn(-c2ccccn2)c(Cl)c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000826862329 1320410436 /nfs/dbraw/zinc/41/04/36/1320410436.db2.gz ZCCNQDVEJIRGTF-CQSZACIVSA-N 1 2 329.835 3.355 20 30 EGEDLO Cc1nn(-c2ccccn2)c(Cl)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000826862329 1320410441 /nfs/dbraw/zinc/41/04/41/1320410441.db2.gz ZCCNQDVEJIRGTF-CQSZACIVSA-N 1 2 329.835 3.355 20 30 EGEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000839601074 1320943491 /nfs/dbraw/zinc/94/34/91/1320943491.db2.gz JCGSZFSJRVWQJH-PXNSSMCTSA-N 1 2 348.446 3.150 20 30 EGEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000839601074 1320943494 /nfs/dbraw/zinc/94/34/94/1320943494.db2.gz JCGSZFSJRVWQJH-PXNSSMCTSA-N 1 2 348.446 3.150 20 30 EGEDLO N#Cc1ccc(C2=CC[N@H+](CN3C(=O)[C@@H](C4CC4)[C@H]3C3CC3)CC2)cc1 ZINC000840036334 1321017769 /nfs/dbraw/zinc/01/77/69/1321017769.db2.gz GIXIBIJHADHUFW-LEWJYISDSA-N 1 2 347.462 3.252 20 30 EGEDLO N#Cc1ccc(C2=CC[N@@H+](CN3C(=O)[C@@H](C4CC4)[C@H]3C3CC3)CC2)cc1 ZINC000840036334 1321017774 /nfs/dbraw/zinc/01/77/74/1321017774.db2.gz GIXIBIJHADHUFW-LEWJYISDSA-N 1 2 347.462 3.252 20 30 EGEDLO Cc1ccn(C[N@H+]2CCC[C@H]2c2ccc(F)cc2C)c(=O)c1C#N ZINC000840149597 1321039337 /nfs/dbraw/zinc/03/93/37/1321039337.db2.gz OMGPYDMJMYUUTR-SFHVURJKSA-N 1 2 325.387 3.271 20 30 EGEDLO Cc1ccn(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2C)c(=O)c1C#N ZINC000840149597 1321039341 /nfs/dbraw/zinc/03/93/41/1321039341.db2.gz OMGPYDMJMYUUTR-SFHVURJKSA-N 1 2 325.387 3.271 20 30 EGEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(-c3csc(C)n3)s2)C1 ZINC000923599037 1322779771 /nfs/dbraw/zinc/77/97/71/1322779771.db2.gz QLJRSRHGHNVHHI-ZDUSSCGKSA-N 1 2 345.493 3.007 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-c3csc(C)n3)s2)C1 ZINC000923599037 1322779774 /nfs/dbraw/zinc/77/97/74/1322779774.db2.gz QLJRSRHGHNVHHI-ZDUSSCGKSA-N 1 2 345.493 3.007 20 30 EGEDLO COc1ccccc1[C@H]([NH2+][C@H](C)CC(C)(C)C#N)c1nccn1C ZINC000924624156 1323080298 /nfs/dbraw/zinc/08/02/98/1323080298.db2.gz QVKFAFFZURHZMZ-PBHICJAKSA-N 1 2 326.444 3.436 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000852319523 1323178936 /nfs/dbraw/zinc/17/89/36/1323178936.db2.gz OEECQMFXEVXKHE-NHYWBVRUSA-N 1 2 341.224 3.247 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000852319523 1323178940 /nfs/dbraw/zinc/17/89/40/1323178940.db2.gz OEECQMFXEVXKHE-NHYWBVRUSA-N 1 2 341.224 3.247 20 30 EGEDLO C#CCC[N@@H+](CCOC)Cc1csc(CCc2ccccc2)n1 ZINC000852749311 1323237360 /nfs/dbraw/zinc/23/73/60/1323237360.db2.gz VVPZGEFKHYBCIR-UHFFFAOYSA-N 1 2 328.481 3.400 20 30 EGEDLO C#CCC[N@H+](CCOC)Cc1csc(CCc2ccccc2)n1 ZINC000852749311 1323237368 /nfs/dbraw/zinc/23/73/68/1323237368.db2.gz VVPZGEFKHYBCIR-UHFFFAOYSA-N 1 2 328.481 3.400 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@H]2CNC(=O)C2CCCC2)c1 ZINC001024299682 1323279557 /nfs/dbraw/zinc/27/95/57/1323279557.db2.gz PKDMUABNMRWVPE-SFHVURJKSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@H]2CNC(=O)C2CCCC2)c1 ZINC001024299682 1323279566 /nfs/dbraw/zinc/27/95/66/1323279566.db2.gz PKDMUABNMRWVPE-SFHVURJKSA-N 1 2 343.446 3.358 20 30 EGEDLO Cc1occc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001024327473 1323312965 /nfs/dbraw/zinc/31/29/65/1323312965.db2.gz ZXGOXTLMOIEVQD-GOSISDBHSA-N 1 2 337.423 3.244 20 30 EGEDLO Cc1occc1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001024327473 1323312967 /nfs/dbraw/zinc/31/29/67/1323312967.db2.gz ZXGOXTLMOIEVQD-GOSISDBHSA-N 1 2 337.423 3.244 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC001024478971 1323430988 /nfs/dbraw/zinc/43/09/88/1323430988.db2.gz WZQHFTHASIXQNV-HNNXBMFYSA-N 1 2 349.862 3.001 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC001024478971 1323430989 /nfs/dbraw/zinc/43/09/89/1323430989.db2.gz WZQHFTHASIXQNV-HNNXBMFYSA-N 1 2 349.862 3.001 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCc2cccnc21 ZINC001024617640 1323547420 /nfs/dbraw/zinc/54/74/20/1323547420.db2.gz LEIWJZCGQOUAEK-IRXDYDNUSA-N 1 2 347.890 3.225 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCc2cccnc21 ZINC001024617640 1323547427 /nfs/dbraw/zinc/54/74/27/1323547427.db2.gz LEIWJZCGQOUAEK-IRXDYDNUSA-N 1 2 347.890 3.225 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2ccccc2O1 ZINC001024714621 1323621983 /nfs/dbraw/zinc/62/19/83/1323621983.db2.gz YWAGMRAIFDONCI-FUHWJXTLSA-N 1 2 348.874 3.103 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2ccccc2O1 ZINC001024714621 1323621988 /nfs/dbraw/zinc/62/19/88/1323621988.db2.gz YWAGMRAIFDONCI-FUHWJXTLSA-N 1 2 348.874 3.103 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1Cc2c(cccc2C)O1 ZINC001024764963 1323663858 /nfs/dbraw/zinc/66/38/58/1323663858.db2.gz YCEFPFPJMYTKFK-YJBOKZPZSA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1Cc2c(cccc2C)O1 ZINC001024764963 1323663864 /nfs/dbraw/zinc/66/38/64/1323663864.db2.gz YCEFPFPJMYTKFK-YJBOKZPZSA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2n(c1)CCCC2 ZINC001024837489 1323737941 /nfs/dbraw/zinc/73/79/41/1323737941.db2.gz VNGLEYGMEKQSGX-KRWDZBQOSA-N 1 2 335.879 3.161 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc2n(c1)CCCC2 ZINC001024837489 1323737944 /nfs/dbraw/zinc/73/79/44/1323737944.db2.gz VNGLEYGMEKQSGX-KRWDZBQOSA-N 1 2 335.879 3.161 20 30 EGEDLO Fc1cc(Cl)cc(N[NH+]=Cc2cnc(N3CCOCC3)s2)c1 ZINC000853396655 1325089726 /nfs/dbraw/zinc/08/97/26/1325089726.db2.gz NWQNRCAICNXJIE-UHFFFAOYSA-N 1 2 340.811 3.218 20 30 EGEDLO OC1CCN(c2ccc(C=[NH+]Nc3ccnc(Cl)c3)cc2)CC1 ZINC000853396778 1325089788 /nfs/dbraw/zinc/08/97/88/1325089788.db2.gz GGLXXRCKMZTNJD-UHFFFAOYSA-N 1 2 330.819 3.142 20 30 EGEDLO C=CC[N@H+](CN1CCN(c2ccc(Cl)cc2)C1=O)[C@H](C)COC ZINC000853533965 1325117406 /nfs/dbraw/zinc/11/74/06/1325117406.db2.gz FPHXRKKHNCZZSD-CQSZACIVSA-N 1 2 337.851 3.062 20 30 EGEDLO C=CC[N@@H+](CN1CCN(c2ccc(Cl)cc2)C1=O)[C@H](C)COC ZINC000853533965 1325117411 /nfs/dbraw/zinc/11/74/11/1325117411.db2.gz FPHXRKKHNCZZSD-CQSZACIVSA-N 1 2 337.851 3.062 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ncc(CC)o2)C1 ZINC001027518846 1327790572 /nfs/dbraw/zinc/79/05/72/1327790572.db2.gz AICLWFBKODOISD-OAHLLOKOSA-N 1 2 333.476 3.262 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ncc(CC)o2)C1 ZINC001027518846 1327790579 /nfs/dbraw/zinc/79/05/79/1327790579.db2.gz AICLWFBKODOISD-OAHLLOKOSA-N 1 2 333.476 3.262 20 30 EGEDLO CCc1ccc(C#CC(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000927079761 1327849017 /nfs/dbraw/zinc/84/90/17/1327849017.db2.gz ORZYIHNEWPOZEI-UHFFFAOYSA-N 1 2 333.435 3.099 20 30 EGEDLO N#Cc1ccccc1/C=C\C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927098308 1327860811 /nfs/dbraw/zinc/86/08/11/1327860811.db2.gz BLKPQMOLRKYQHH-HJWRWDBZSA-N 1 2 332.407 3.070 20 30 EGEDLO CC1CC(C(=O)NC[C@H]2CCC[N@@H+]2CC#Cc2ccccc2Cl)C1 ZINC001027821048 1328276706 /nfs/dbraw/zinc/27/67/06/1328276706.db2.gz ZYXRWZHNANFDPL-VMWRSERWSA-N 1 2 344.886 3.318 20 30 EGEDLO CC1CC(C(=O)NC[C@H]2CCC[N@H+]2CC#Cc2ccccc2Cl)C1 ZINC001027821048 1328276710 /nfs/dbraw/zinc/27/67/10/1328276710.db2.gz ZYXRWZHNANFDPL-VMWRSERWSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)C12CCC(CC1)C2 ZINC001027970293 1328444187 /nfs/dbraw/zinc/44/41/87/1328444187.db2.gz ACJUSPOYCFMYRJ-NPCAHTBFSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)C12CCC(CC1)C2 ZINC001027970293 1328444190 /nfs/dbraw/zinc/44/41/90/1328444190.db2.gz ACJUSPOYCFMYRJ-NPCAHTBFSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1nc2ccccc2cc1C ZINC001028036642 1328499795 /nfs/dbraw/zinc/49/97/95/1328499795.db2.gz VAMBTVYGCSXWOB-MRXNPFEDSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1nc2ccccc2cc1C ZINC001028036642 1328499806 /nfs/dbraw/zinc/49/98/06/1328499806.db2.gz VAMBTVYGCSXWOB-MRXNPFEDSA-N 1 2 343.858 3.490 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H]1CNC(=O)c1occ2c1CCC2 ZINC001028051527 1328517951 /nfs/dbraw/zinc/51/79/51/1328517951.db2.gz OSTJFBHIJWNAAI-SFHVURJKSA-N 1 2 349.434 3.034 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1CNC(=O)c1occ2c1CCC2 ZINC001028051527 1328517957 /nfs/dbraw/zinc/51/79/57/1328517957.db2.gz OSTJFBHIJWNAAI-SFHVURJKSA-N 1 2 349.434 3.034 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000934629013 1329994357 /nfs/dbraw/zinc/99/43/57/1329994357.db2.gz LXPQEDLLHOMULH-CVEARBPZSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000934629013 1329994358 /nfs/dbraw/zinc/99/43/58/1329994358.db2.gz LXPQEDLLHOMULH-CVEARBPZSA-N 1 2 333.476 3.433 20 30 EGEDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(C#N)ccc1C ZINC000867627290 1330211872 /nfs/dbraw/zinc/21/18/72/1330211872.db2.gz DXUVEKSRCMQBNM-UHFFFAOYSA-N 1 2 329.425 3.257 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2coc(C)c2)C[C@@H]1C ZINC000947245481 1333063545 /nfs/dbraw/zinc/06/35/45/1333063545.db2.gz SVHRXAMSRQKKMO-SMDDNHRTSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2coc(C)c2)C[C@@H]1C ZINC000947245481 1333063547 /nfs/dbraw/zinc/06/35/47/1333063547.db2.gz SVHRXAMSRQKKMO-SMDDNHRTSA-N 1 2 341.249 3.079 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000948940171 1333741723 /nfs/dbraw/zinc/74/17/23/1333741723.db2.gz FKPOHGIHRHTJCC-JTJHWIPRSA-N 1 2 336.479 3.162 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000948940171 1333741728 /nfs/dbraw/zinc/74/17/28/1333741728.db2.gz FKPOHGIHRHTJCC-JTJHWIPRSA-N 1 2 336.479 3.162 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCCCC1(F)F ZINC000948940287 1333741780 /nfs/dbraw/zinc/74/17/80/1333741780.db2.gz GPYTUQUUGYDREO-ZWKOTPCHSA-N 1 2 346.421 3.161 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCCCC1(F)F ZINC000948940287 1333741782 /nfs/dbraw/zinc/74/17/82/1333741782.db2.gz GPYTUQUUGYDREO-ZWKOTPCHSA-N 1 2 346.421 3.161 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCCC(F)(F)C1 ZINC000948958911 1333748143 /nfs/dbraw/zinc/74/81/43/1333748143.db2.gz RISDQQDFQFGJNC-AEFFLSMTSA-N 1 2 346.421 3.161 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCCC(F)(F)C1 ZINC000948958911 1333748145 /nfs/dbraw/zinc/74/81/45/1333748145.db2.gz RISDQQDFQFGJNC-AEFFLSMTSA-N 1 2 346.421 3.161 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(C(F)F)o1 ZINC000948981758 1333757146 /nfs/dbraw/zinc/75/71/46/1333757146.db2.gz DZXLDEFXXJFWSZ-HNNXBMFYSA-N 1 2 344.361 3.180 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(C(F)F)o1 ZINC000948981758 1333757149 /nfs/dbraw/zinc/75/71/49/1333757149.db2.gz DZXLDEFXXJFWSZ-HNNXBMFYSA-N 1 2 344.361 3.180 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C12CCC(CC1)CC2 ZINC000948986649 1333760739 /nfs/dbraw/zinc/76/07/39/1333760739.db2.gz NOMVMYPCILSYRE-DHHCDUQHSA-N 1 2 336.479 3.306 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C12CCC(CC1)CC2 ZINC000948986649 1333760743 /nfs/dbraw/zinc/76/07/43/1333760743.db2.gz NOMVMYPCILSYRE-DHHCDUQHSA-N 1 2 336.479 3.306 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC000949635682 1333886957 /nfs/dbraw/zinc/88/69/57/1333886957.db2.gz KCGHLFRWHSTNDY-UHFFFAOYSA-N 1 2 336.426 3.254 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[NH+](Cc2cccc(OCCC)c2)CC1 ZINC000949666883 1333893142 /nfs/dbraw/zinc/89/31/42/1333893142.db2.gz HLPLNEYDVCCMFK-UHFFFAOYSA-N 1 2 330.472 3.332 20 30 EGEDLO C=CCn1cccc1C(=O)N(CC)C1C[NH+](Cc2ccc(C)cc2)C1 ZINC000950508827 1334083870 /nfs/dbraw/zinc/08/38/70/1334083870.db2.gz SGLHGELQGNKCBF-UHFFFAOYSA-N 1 2 337.467 3.329 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(OC)cc2F)C1 ZINC000967255527 1335679604 /nfs/dbraw/zinc/67/96/04/1335679604.db2.gz JSLMJPPUWMFNAR-BDJLRTHQSA-N 1 2 340.826 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(OC)cc2F)C1 ZINC000967255527 1335679606 /nfs/dbraw/zinc/67/96/06/1335679606.db2.gz JSLMJPPUWMFNAR-BDJLRTHQSA-N 1 2 340.826 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2nccc3occc32)C1 ZINC000967418687 1335732451 /nfs/dbraw/zinc/73/24/51/1335732451.db2.gz BLQMUNZCVCCPQS-RISCZKNCSA-N 1 2 333.819 3.021 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2nccc3occc32)C1 ZINC000967418687 1335732452 /nfs/dbraw/zinc/73/24/52/1335732452.db2.gz BLQMUNZCVCCPQS-RISCZKNCSA-N 1 2 333.819 3.021 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](Cc3ccc(Cl)nc3)CC[C@H]2C)C1 ZINC000968212910 1335873122 /nfs/dbraw/zinc/87/31/22/1335873122.db2.gz OBBKTTONYWCKFM-ZBFHGGJFSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](Cc3ccc(Cl)nc3)CC[C@H]2C)C1 ZINC000968212910 1335873123 /nfs/dbraw/zinc/87/31/23/1335873123.db2.gz OBBKTTONYWCKFM-ZBFHGGJFSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](Cc3csc(C)n3)CC[C@H]2C)C1 ZINC000968272046 1335881578 /nfs/dbraw/zinc/88/15/78/1335881578.db2.gz DMBDKQRMKQDBCL-CJNGLKHVSA-N 1 2 333.501 3.134 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](Cc3csc(C)n3)CC[C@H]2C)C1 ZINC000968272046 1335881582 /nfs/dbraw/zinc/88/15/82/1335881582.db2.gz DMBDKQRMKQDBCL-CJNGLKHVSA-N 1 2 333.501 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2ccc(CC)cc2)C1 ZINC000968364867 1335904418 /nfs/dbraw/zinc/90/44/18/1335904418.db2.gz KSVJKYXRNNZMTG-KSSFIOAISA-N 1 2 334.891 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2ccc(CC)cc2)C1 ZINC000968364867 1335904420 /nfs/dbraw/zinc/90/44/20/1335904420.db2.gz KSVJKYXRNNZMTG-KSSFIOAISA-N 1 2 334.891 3.371 20 30 EGEDLO C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc3cc(C)ccc3s2)C1 ZINC000968489920 1335939692 /nfs/dbraw/zinc/93/96/92/1335939692.db2.gz WUUAVEZAHDLYJJ-HOCLYGCPSA-N 1 2 326.465 3.283 20 30 EGEDLO C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc3cc(C)ccc3s2)C1 ZINC000968489920 1335939699 /nfs/dbraw/zinc/93/96/99/1335939699.db2.gz WUUAVEZAHDLYJJ-HOCLYGCPSA-N 1 2 326.465 3.283 20 30 EGEDLO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3cc(F)ccc3s2)C1 ZINC000968641005 1335993479 /nfs/dbraw/zinc/99/34/79/1335993479.db2.gz WMYFBXNINUFEHW-DOMZBBRYSA-N 1 2 330.428 3.114 20 30 EGEDLO C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3cc(F)ccc3s2)C1 ZINC000968641005 1335993483 /nfs/dbraw/zinc/99/34/83/1335993483.db2.gz WMYFBXNINUFEHW-DOMZBBRYSA-N 1 2 330.428 3.114 20 30 EGEDLO C[C@@H](NC(=O)C1=CCCC1)C1C[NH+](CC#Cc2ccccc2Cl)C1 ZINC000969489660 1336218277 /nfs/dbraw/zinc/21/82/77/1336218277.db2.gz BNAIHBKWOIMPTI-OAHLLOKOSA-N 1 2 342.870 3.238 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2sccc2C)C1 ZINC000969657419 1336233888 /nfs/dbraw/zinc/23/38/88/1336233888.db2.gz MFJGVCKTDDXBJY-BPLDGKMQSA-N 1 2 338.904 3.349 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cccc3ccc(C)nc32)C1 ZINC000969932136 1336262619 /nfs/dbraw/zinc/26/26/19/1336262619.db2.gz OZLOUJGEPGBTFR-CQSZACIVSA-N 1 2 343.858 3.346 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C2CCc3ccccc3CC2)C1 ZINC000970012011 1336271459 /nfs/dbraw/zinc/27/14/59/1336271459.db2.gz IBWGKCPNSKDPNQ-HNNXBMFYSA-N 1 2 346.902 3.371 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnc3ccsc3c2)C1 ZINC000970270565 1336291595 /nfs/dbraw/zinc/29/15/95/1336291595.db2.gz ILRXBNKNBJUHJR-NSHDSACASA-N 1 2 335.860 3.099 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2c(F)ccc(F)c2Cl)C1 ZINC000970480537 1336311173 /nfs/dbraw/zinc/31/11/73/1336311173.db2.gz PQYHSZQEFOHYMO-SECBINFHSA-N 1 2 349.208 3.421 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc3scnc3c2)C1 ZINC000970677194 1336332807 /nfs/dbraw/zinc/33/28/07/1336332807.db2.gz VLFXVISSMRPNQU-LLVKDONJSA-N 1 2 335.860 3.099 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3cccc(F)c3)C2)s1 ZINC001006634328 1336543595 /nfs/dbraw/zinc/54/35/95/1336543595.db2.gz ADIGQQNNPFMWMW-HNNXBMFYSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3cccc(F)c3)C2)s1 ZINC001006634328 1336543597 /nfs/dbraw/zinc/54/35/97/1336543597.db2.gz ADIGQQNNPFMWMW-HNNXBMFYSA-N 1 2 343.427 3.153 20 30 EGEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([C@H](C)Nc3cc[nH+]c(C)n3)C2)cc1 ZINC001063899545 1352074837 /nfs/dbraw/zinc/07/48/37/1352074837.db2.gz GBGMOEXZLQAWAZ-KXBFYZLASA-N 1 2 348.450 3.119 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C(F)=C3CCCC3)C2)s1 ZINC001007086680 1336640954 /nfs/dbraw/zinc/64/09/54/1336640954.db2.gz QLGIURVEOZJATK-CQSZACIVSA-N 1 2 347.459 3.498 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C(F)=C3CCCC3)C2)s1 ZINC001007086680 1336640957 /nfs/dbraw/zinc/64/09/57/1336640957.db2.gz QLGIURVEOZJATK-CQSZACIVSA-N 1 2 347.459 3.498 20 30 EGEDLO CC1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(C#N)ccc3F)C2)CCCC1 ZINC001008109503 1336771114 /nfs/dbraw/zinc/77/11/14/1336771114.db2.gz OVKVNLYVEXUCSR-KRWDZBQOSA-N 1 2 343.446 3.358 20 30 EGEDLO CC1(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)CCCC1 ZINC001008109503 1336771115 /nfs/dbraw/zinc/77/11/15/1336771115.db2.gz OVKVNLYVEXUCSR-KRWDZBQOSA-N 1 2 343.446 3.358 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cc3ccc(OC)cc3[nH]2)C1 ZINC001008137993 1336777853 /nfs/dbraw/zinc/77/78/53/1336777853.db2.gz IEAJCZXCXLPMMX-CQSZACIVSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cc3ccc(OC)cc3[nH]2)C1 ZINC001008137993 1336777854 /nfs/dbraw/zinc/77/78/54/1336777854.db2.gz IEAJCZXCXLPMMX-CQSZACIVSA-N 1 2 347.846 3.123 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC=C(Cl)Cl)C2)cc1 ZINC001008151064 1336780926 /nfs/dbraw/zinc/78/09/26/1336780926.db2.gz XSMBEGXPPBGJRJ-OAHLLOKOSA-N 1 2 337.250 3.181 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC=C(Cl)Cl)C2)cc1 ZINC001008151064 1336780928 /nfs/dbraw/zinc/78/09/28/1336780928.db2.gz XSMBEGXPPBGJRJ-OAHLLOKOSA-N 1 2 337.250 3.181 20 30 EGEDLO CC1(C)CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001008225199 1336797414 /nfs/dbraw/zinc/79/74/14/1336797414.db2.gz OBCOAZSBPUTZLU-RTBURBONSA-N 1 2 339.483 3.465 20 30 EGEDLO CC1(C)CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001008225199 1336797416 /nfs/dbraw/zinc/79/74/16/1336797416.db2.gz OBCOAZSBPUTZLU-RTBURBONSA-N 1 2 339.483 3.465 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001008315373 1336820860 /nfs/dbraw/zinc/82/08/60/1336820860.db2.gz CIMKTPBDPGABSW-GOSISDBHSA-N 1 2 349.434 3.423 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001008315373 1336820863 /nfs/dbraw/zinc/82/08/63/1336820863.db2.gz CIMKTPBDPGABSW-GOSISDBHSA-N 1 2 349.434 3.423 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001009079305 1336964850 /nfs/dbraw/zinc/96/48/50/1336964850.db2.gz LFLWGJXOOZDFCS-MOPGFXCFSA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001009079305 1336964852 /nfs/dbraw/zinc/96/48/52/1336964852.db2.gz LFLWGJXOOZDFCS-MOPGFXCFSA-N 1 2 337.467 3.219 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@]2(C)CCOc3ccccc32)C1 ZINC001009228624 1336988710 /nfs/dbraw/zinc/98/87/10/1336988710.db2.gz ZKGAGKFKSXAMDV-KXBFYZLASA-N 1 2 348.874 3.060 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@]2(C)CCOc3ccccc32)C1 ZINC001009228624 1336988713 /nfs/dbraw/zinc/98/87/13/1336988713.db2.gz ZKGAGKFKSXAMDV-KXBFYZLASA-N 1 2 348.874 3.060 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2OCCc3ccccc32)C1 ZINC001009262835 1336992866 /nfs/dbraw/zinc/99/28/66/1336992866.db2.gz JMBQACTZOQDFKM-SJLPKXTDSA-N 1 2 348.874 3.024 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2OCCc3ccccc32)C1 ZINC001009262835 1336992868 /nfs/dbraw/zinc/99/28/68/1336992868.db2.gz JMBQACTZOQDFKM-SJLPKXTDSA-N 1 2 348.874 3.024 20 30 EGEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3cc(F)ccc3s2)C1 ZINC001009475738 1337028823 /nfs/dbraw/zinc/02/88/23/1337028823.db2.gz KBBLLWAUZRXPGV-OAHLLOKOSA-N 1 2 330.428 3.258 20 30 EGEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3cc(F)ccc3s2)C1 ZINC001009475738 1337028824 /nfs/dbraw/zinc/02/88/24/1337028824.db2.gz KBBLLWAUZRXPGV-OAHLLOKOSA-N 1 2 330.428 3.258 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(N(C)C(C)C)cc2)C1 ZINC001009724429 1337065298 /nfs/dbraw/zinc/06/52/98/1337065298.db2.gz FQLGTRXJEKJWKO-QGZVFWFLSA-N 1 2 349.906 3.478 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N(C)C(C)C)cc2)C1 ZINC001009724429 1337065300 /nfs/dbraw/zinc/06/53/00/1337065300.db2.gz FQLGTRXJEKJWKO-QGZVFWFLSA-N 1 2 349.906 3.478 20 30 EGEDLO Cc1sccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001014360324 1337752429 /nfs/dbraw/zinc/75/24/29/1337752429.db2.gz HYJMEYIAFUNMMC-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1sccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001014360324 1337752433 /nfs/dbraw/zinc/75/24/33/1337752433.db2.gz HYJMEYIAFUNMMC-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[C@@H]3C=CCCC3)C2)c(F)c1 ZINC001014908888 1337947108 /nfs/dbraw/zinc/94/71/08/1337947108.db2.gz KMULJGJPUCVGJO-QAPCUYQASA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C[C@@H]3C=CCCC3)C2)c(F)c1 ZINC001014908888 1337947110 /nfs/dbraw/zinc/94/71/10/1337947110.db2.gz KMULJGJPUCVGJO-QAPCUYQASA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccc(C)cc2Cl)C1 ZINC001014986075 1337978514 /nfs/dbraw/zinc/97/85/14/1337978514.db2.gz ZNIIZFOJPBDPAQ-AWEZNQCLSA-N 1 2 327.255 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(C)cc2Cl)C1 ZINC001014986075 1337978516 /nfs/dbraw/zinc/97/85/16/1337978516.db2.gz ZNIIZFOJPBDPAQ-AWEZNQCLSA-N 1 2 327.255 3.134 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1F ZINC001015166401 1338039988 /nfs/dbraw/zinc/03/99/88/1338039988.db2.gz JVBDTSMWOIMKHY-GOSISDBHSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cc1F ZINC001015166401 1338039989 /nfs/dbraw/zinc/03/99/89/1338039989.db2.gz JVBDTSMWOIMKHY-GOSISDBHSA-N 1 2 337.398 3.010 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001015369690 1338114632 /nfs/dbraw/zinc/11/46/32/1338114632.db2.gz WTWXAGZKCAIOEL-MVJPYGJCSA-N 1 2 337.467 3.075 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001015369690 1338114634 /nfs/dbraw/zinc/11/46/34/1338114634.db2.gz WTWXAGZKCAIOEL-MVJPYGJCSA-N 1 2 337.467 3.075 20 30 EGEDLO CC(C)(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1)C1CCC1 ZINC001015410903 1338129759 /nfs/dbraw/zinc/12/97/59/1338129759.db2.gz ZUEKFLGSEFWFNQ-GOSISDBHSA-N 1 2 325.456 3.075 20 30 EGEDLO CC(C)(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1)C1CCC1 ZINC001015410903 1338129760 /nfs/dbraw/zinc/12/97/60/1338129760.db2.gz ZUEKFLGSEFWFNQ-GOSISDBHSA-N 1 2 325.456 3.075 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3c(ccc(C)c3C)[nH]2)C1 ZINC001015509427 1338162764 /nfs/dbraw/zinc/16/27/64/1338162764.db2.gz JWOXUULIPBCHNB-AWEZNQCLSA-N 1 2 331.847 3.341 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3c(ccc(C)c3C)[nH]2)C1 ZINC001015509427 1338162766 /nfs/dbraw/zinc/16/27/66/1338162766.db2.gz JWOXUULIPBCHNB-AWEZNQCLSA-N 1 2 331.847 3.341 20 30 EGEDLO CC1(C)CC(CC(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)C1 ZINC001015600464 1338202322 /nfs/dbraw/zinc/20/23/22/1338202322.db2.gz DQFXFMRXEYAGTG-QGZVFWFLSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)C1 ZINC001015600464 1338202326 /nfs/dbraw/zinc/20/23/26/1338202326.db2.gz DQFXFMRXEYAGTG-QGZVFWFLSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)c2ccc(Cl)cc2)C1 ZINC001015648721 1338227505 /nfs/dbraw/zinc/22/75/05/1338227505.db2.gz JSYFOPAWOUCCJW-IUODEOHRSA-N 1 2 327.255 3.387 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)c2ccc(Cl)cc2)C1 ZINC001015648721 1338227507 /nfs/dbraw/zinc/22/75/07/1338227507.db2.gz JSYFOPAWOUCCJW-IUODEOHRSA-N 1 2 327.255 3.387 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC001015738457 1338278786 /nfs/dbraw/zinc/27/87/86/1338278786.db2.gz DKBYQZQNUYWMNG-KRWDZBQOSA-N 1 2 344.418 3.044 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC001015738457 1338278794 /nfs/dbraw/zinc/27/87/94/1338278794.db2.gz DKBYQZQNUYWMNG-KRWDZBQOSA-N 1 2 344.418 3.044 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1)c1ccccc1 ZINC001016035862 1338420570 /nfs/dbraw/zinc/42/05/70/1338420570.db2.gz ALFVPLAZPHBLOE-OXQOHEQNSA-N 1 2 333.435 3.052 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1)c1ccccc1 ZINC001016035862 1338420573 /nfs/dbraw/zinc/42/05/73/1338420573.db2.gz ALFVPLAZPHBLOE-OXQOHEQNSA-N 1 2 333.435 3.052 20 30 EGEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ccc(Cl)s1 ZINC001016174983 1338491503 /nfs/dbraw/zinc/49/15/03/1338491503.db2.gz OMMXFCXMJLYCBI-HNNXBMFYSA-N 1 2 344.867 3.257 20 30 EGEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ccc(Cl)s1 ZINC001016174983 1338491505 /nfs/dbraw/zinc/49/15/05/1338491505.db2.gz OMMXFCXMJLYCBI-HNNXBMFYSA-N 1 2 344.867 3.257 20 30 EGEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cc2ccccc2o1 ZINC001016178337 1338493202 /nfs/dbraw/zinc/49/32/02/1338493202.db2.gz MLFHORMTYNOVRI-LJQANCHMSA-N 1 2 344.414 3.289 20 30 EGEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cc2ccccc2o1 ZINC001016178337 1338493204 /nfs/dbraw/zinc/49/32/04/1338493204.db2.gz MLFHORMTYNOVRI-LJQANCHMSA-N 1 2 344.414 3.289 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCc3ccccc32)C1 ZINC001016352975 1338561749 /nfs/dbraw/zinc/56/17/49/1338561749.db2.gz HRZWRJFPLGHFDV-SJLPKXTDSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCc3ccccc32)C1 ZINC001016352975 1338561752 /nfs/dbraw/zinc/56/17/52/1338561752.db2.gz HRZWRJFPLGHFDV-SJLPKXTDSA-N 1 2 332.875 3.440 20 30 EGEDLO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)cc1 ZINC001017311537 1339326153 /nfs/dbraw/zinc/32/61/53/1339326153.db2.gz RATZXLNKFUEXKE-BGYRXZFFSA-N 1 2 331.419 3.047 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)cc1 ZINC001017311537 1339326154 /nfs/dbraw/zinc/32/61/54/1339326154.db2.gz RATZXLNKFUEXKE-BGYRXZFFSA-N 1 2 331.419 3.047 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC001028063121 1340404319 /nfs/dbraw/zinc/40/43/19/1340404319.db2.gz FVYSCEYOLQTXOZ-CQSZACIVSA-N 1 2 335.810 3.254 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC001028063121 1340404322 /nfs/dbraw/zinc/40/43/22/1340404322.db2.gz FVYSCEYOLQTXOZ-CQSZACIVSA-N 1 2 335.810 3.254 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@H+]2Cc2nc(C)cs2)CC1 ZINC001028114710 1340436188 /nfs/dbraw/zinc/43/61/88/1340436188.db2.gz NEOFQVSLQFCFQS-INIZCTEOSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2nc(C)cs2)CC1 ZINC001028114710 1340436189 /nfs/dbraw/zinc/43/61/89/1340436189.db2.gz NEOFQVSLQFCFQS-INIZCTEOSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1c(F)ccc(C)c1F ZINC001028115925 1340437771 /nfs/dbraw/zinc/43/77/71/1340437771.db2.gz XVCDQEGANFYPMS-LBPRGKRZSA-N 1 2 328.790 3.220 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1c(F)ccc(C)c1F ZINC001028115925 1340437772 /nfs/dbraw/zinc/43/77/72/1340437772.db2.gz XVCDQEGANFYPMS-LBPRGKRZSA-N 1 2 328.790 3.220 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2scnc2c1 ZINC001028236421 1340498600 /nfs/dbraw/zinc/49/86/00/1340498600.db2.gz LNGYTJVLOJYBSA-CYBMUJFWSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2scnc2c1 ZINC001028236421 1340498601 /nfs/dbraw/zinc/49/86/01/1340498601.db2.gz LNGYTJVLOJYBSA-CYBMUJFWSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnc2ccc(F)cc2c1 ZINC001028240668 1340501426 /nfs/dbraw/zinc/50/14/26/1340501426.db2.gz DPSMRZZHVPLFPN-INIZCTEOSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnc2ccc(F)cc2c1 ZINC001028240668 1340501431 /nfs/dbraw/zinc/50/14/31/1340501431.db2.gz DPSMRZZHVPLFPN-INIZCTEOSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ncccc1C(F)(F)F ZINC001028243365 1340504719 /nfs/dbraw/zinc/50/47/19/1340504719.db2.gz OPFUFXSGPQLSFV-LLVKDONJSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ncccc1C(F)(F)F ZINC001028243365 1340504722 /nfs/dbraw/zinc/50/47/22/1340504722.db2.gz OPFUFXSGPQLSFV-LLVKDONJSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)cc1Cl ZINC001028297775 1340547352 /nfs/dbraw/zinc/54/73/52/1340547352.db2.gz MBLIZDSOCYTKSV-GFCCVEGCSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)cc1Cl ZINC001028297775 1340547354 /nfs/dbraw/zinc/54/73/54/1340547354.db2.gz MBLIZDSOCYTKSV-GFCCVEGCSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC)c(Cl)c1 ZINC001028307681 1340556058 /nfs/dbraw/zinc/55/60/58/1340556058.db2.gz MNNJNXNRGNTVNO-CYBMUJFWSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC)c(Cl)c1 ZINC001028307681 1340556060 /nfs/dbraw/zinc/55/60/60/1340556060.db2.gz MNNJNXNRGNTVNO-CYBMUJFWSA-N 1 2 343.254 3.295 20 30 EGEDLO CC(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029192757 1340951990 /nfs/dbraw/zinc/95/19/90/1340951990.db2.gz SWTDWMIEAYOZPR-KDURUIRLSA-N 1 2 344.886 3.413 20 30 EGEDLO CC(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029192757 1340951992 /nfs/dbraw/zinc/95/19/92/1340951992.db2.gz SWTDWMIEAYOZPR-KDURUIRLSA-N 1 2 344.886 3.413 20 30 EGEDLO C[C@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001029199325 1340953248 /nfs/dbraw/zinc/95/32/48/1340953248.db2.gz IFXCPGXFXXGQRZ-FZDIXFNVSA-N 1 2 342.870 3.023 20 30 EGEDLO C[C@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001029199325 1340953251 /nfs/dbraw/zinc/95/32/51/1340953251.db2.gz IFXCPGXFXXGQRZ-FZDIXFNVSA-N 1 2 342.870 3.023 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnn(C(C)(C)C)c1 ZINC001029421481 1340986207 /nfs/dbraw/zinc/98/62/07/1340986207.db2.gz BIXBRDRQOMXWLN-CALCHBBNSA-N 1 2 344.503 3.026 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnn(C(C)(C)C)c1 ZINC001029421481 1340986208 /nfs/dbraw/zinc/98/62/08/1340986208.db2.gz BIXBRDRQOMXWLN-CALCHBBNSA-N 1 2 344.503 3.026 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029420335 1340986306 /nfs/dbraw/zinc/98/63/06/1340986306.db2.gz YGNOOCVPGQOLGV-GASCZTMLSA-N 1 2 343.496 3.397 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029420335 1340986307 /nfs/dbraw/zinc/98/63/07/1340986307.db2.gz YGNOOCVPGQOLGV-GASCZTMLSA-N 1 2 343.496 3.397 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1OC ZINC001029422157 1340986702 /nfs/dbraw/zinc/98/67/02/1340986702.db2.gz WXEBDSKMDFVUKI-CALCHBBNSA-N 1 2 346.446 3.222 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1OC ZINC001029422157 1340986703 /nfs/dbraw/zinc/98/67/03/1340986703.db2.gz WXEBDSKMDFVUKI-CALCHBBNSA-N 1 2 346.446 3.222 20 30 EGEDLO C=CCn1cccc1C(=O)NC1C[NH+]([C@@H](CC)c2ccc(F)cc2)C1 ZINC001030446431 1341188379 /nfs/dbraw/zinc/18/83/79/1341188379.db2.gz ABYIOZFWPUABDL-SFHVURJKSA-N 1 2 341.430 3.379 20 30 EGEDLO C=CCn1cccc1C(=O)NC1C[NH+](Cc2ccc(C3CC3)cc2)C1 ZINC001030447781 1341188470 /nfs/dbraw/zinc/18/84/70/1341188470.db2.gz LRFXJJOQJCLLJX-UHFFFAOYSA-N 1 2 335.451 3.166 20 30 EGEDLO CC[C@@H]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031953577 1341430873 /nfs/dbraw/zinc/43/08/73/1341430873.db2.gz MLWPVWDPEXDKTN-AEFFLSMTSA-N 1 2 343.446 3.072 20 30 EGEDLO CC[C@H]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031953499 1341430935 /nfs/dbraw/zinc/43/09/35/1341430935.db2.gz LHZAHWORFUHBPV-FUHWJXTLSA-N 1 2 343.446 3.072 20 30 EGEDLO CC[C@@]1(C(C)C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001032085269 1341450585 /nfs/dbraw/zinc/45/05/85/1341450585.db2.gz ACGIUBYQAVWQHO-CTNGQTDRSA-N 1 2 339.483 3.179 20 30 EGEDLO CC[C@]1(C(C)C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001032085271 1341450709 /nfs/dbraw/zinc/45/07/09/1341450709.db2.gz ACGIUBYQAVWQHO-PZJWPPBQSA-N 1 2 339.483 3.179 20 30 EGEDLO CCCc1occc1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001032128090 1341459953 /nfs/dbraw/zinc/45/99/53/1341459953.db2.gz QNJFSNUYWJGCRF-UHFFFAOYSA-N 1 2 343.452 3.027 20 30 EGEDLO Cc1ccc(F)cc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032547877 1341537744 /nfs/dbraw/zinc/53/77/44/1341537744.db2.gz UDYZLYAJJXVKRW-OALUTQOASA-N 1 2 349.409 3.105 20 30 EGEDLO Cc1ccc(F)cc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032547877 1341537745 /nfs/dbraw/zinc/53/77/45/1341537745.db2.gz UDYZLYAJJXVKRW-OALUTQOASA-N 1 2 349.409 3.105 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C)c(F)c2)C1 ZINC001032614133 1341559762 /nfs/dbraw/zinc/55/97/62/1341559762.db2.gz ICBPEVHADFMENH-IRXDYDNUSA-N 1 2 328.431 3.276 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C)c(F)c2)C1 ZINC001032614133 1341559763 /nfs/dbraw/zinc/55/97/63/1341559763.db2.gz ICBPEVHADFMENH-IRXDYDNUSA-N 1 2 328.431 3.276 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C23CCC(CC2)CC3)c1 ZINC001032796095 1341616039 /nfs/dbraw/zinc/61/60/39/1341616039.db2.gz SHMSLLKDKWOPAN-IABZKBCVSA-N 1 2 349.478 3.314 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C23CCC(CC2)CC3)c1 ZINC001032796095 1341616040 /nfs/dbraw/zinc/61/60/40/1341616040.db2.gz SHMSLLKDKWOPAN-IABZKBCVSA-N 1 2 349.478 3.314 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(C)c2)C1 ZINC001032880634 1341649647 /nfs/dbraw/zinc/64/96/47/1341649647.db2.gz PZZRUOCZMRWLNH-OAHLLOKOSA-N 1 2 337.261 3.050 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C)c2)C1 ZINC001032880634 1341649648 /nfs/dbraw/zinc/64/96/48/1341649648.db2.gz PZZRUOCZMRWLNH-OAHLLOKOSA-N 1 2 337.261 3.050 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C2=CCCCCC2)C1 ZINC001033033645 1341703004 /nfs/dbraw/zinc/70/30/04/1341703004.db2.gz SKVBNCNJVHUKRM-OAHLLOKOSA-N 1 2 341.293 3.318 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C2=CCCCCC2)C1 ZINC001033033645 1341703012 /nfs/dbraw/zinc/70/30/12/1341703012.db2.gz SKVBNCNJVHUKRM-OAHLLOKOSA-N 1 2 341.293 3.318 20 30 EGEDLO Cc1coc(C)c1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033047855 1341707357 /nfs/dbraw/zinc/70/73/57/1341707357.db2.gz KHCFLYNQAHTCNL-GOSISDBHSA-N 1 2 337.423 3.115 20 30 EGEDLO Cc1coc(C)c1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033047855 1341707358 /nfs/dbraw/zinc/70/73/58/1341707358.db2.gz KHCFLYNQAHTCNL-GOSISDBHSA-N 1 2 337.423 3.115 20 30 EGEDLO Cc1sccc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033061095 1341711651 /nfs/dbraw/zinc/71/16/51/1341711651.db2.gz FEGYWIUWTYTKMB-KRWDZBQOSA-N 1 2 339.464 3.275 20 30 EGEDLO Cc1sccc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033061095 1341711652 /nfs/dbraw/zinc/71/16/52/1341711652.db2.gz FEGYWIUWTYTKMB-KRWDZBQOSA-N 1 2 339.464 3.275 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC001033085017 1341718967 /nfs/dbraw/zinc/71/89/67/1341718967.db2.gz NLARFGBDXQBRRB-OAHLLOKOSA-N 1 2 335.879 3.278 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC001033085017 1341718968 /nfs/dbraw/zinc/71/89/68/1341718968.db2.gz NLARFGBDXQBRRB-OAHLLOKOSA-N 1 2 335.879 3.278 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C2(C)CCCCC2)C1 ZINC001033385312 1341806341 /nfs/dbraw/zinc/80/63/41/1341806341.db2.gz RDLXIAJPDQTBFX-AWEZNQCLSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C2(C)CCCCC2)C1 ZINC001033385312 1341806343 /nfs/dbraw/zinc/80/63/43/1341806343.db2.gz RDLXIAJPDQTBFX-AWEZNQCLSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cccc(Cl)n3)C2)C1 ZINC001033400312 1341813700 /nfs/dbraw/zinc/81/37/00/1341813700.db2.gz UIUCENXVQRYXPQ-OAHLLOKOSA-N 1 2 333.863 3.124 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cccc(Cl)n3)C2)C1 ZINC001033400312 1341813701 /nfs/dbraw/zinc/81/37/01/1341813701.db2.gz UIUCENXVQRYXPQ-OAHLLOKOSA-N 1 2 333.863 3.124 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@@H+](Cc3csc(CCC)n3)C2)C1 ZINC001033401096 1341814427 /nfs/dbraw/zinc/81/44/27/1341814427.db2.gz YSSUDQLVQXISEE-INIZCTEOSA-N 1 2 347.528 3.485 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@H+](Cc3csc(CCC)n3)C2)C1 ZINC001033401096 1341814429 /nfs/dbraw/zinc/81/44/29/1341814429.db2.gz YSSUDQLVQXISEE-INIZCTEOSA-N 1 2 347.528 3.485 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3nc(C)ccc3c2)C1 ZINC001033520216 1341856318 /nfs/dbraw/zinc/85/63/18/1341856318.db2.gz QKECLIXOPPJYQW-KRWDZBQOSA-N 1 2 343.858 3.442 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3nc(C)ccc3c2)C1 ZINC001033520216 1341856319 /nfs/dbraw/zinc/85/63/19/1341856319.db2.gz QKECLIXOPPJYQW-KRWDZBQOSA-N 1 2 343.858 3.442 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@]2(C)CCOc3ccccc32)C1 ZINC001033593295 1341888479 /nfs/dbraw/zinc/88/84/79/1341888479.db2.gz KMCCMHGWEIJQLT-KXBFYZLASA-N 1 2 348.874 3.012 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(C)CCOc3ccccc32)C1 ZINC001033593295 1341888480 /nfs/dbraw/zinc/88/84/80/1341888480.db2.gz KMCCMHGWEIJQLT-KXBFYZLASA-N 1 2 348.874 3.012 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc3c(cccc3OC)[nH]2)C1 ZINC001033658626 1341933176 /nfs/dbraw/zinc/93/31/76/1341933176.db2.gz HQIHAQASECNDNR-ZDUSSCGKSA-N 1 2 347.846 3.075 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c(cccc3OC)[nH]2)C1 ZINC001033658626 1341933178 /nfs/dbraw/zinc/93/31/78/1341933178.db2.gz HQIHAQASECNDNR-ZDUSSCGKSA-N 1 2 347.846 3.075 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc3c(cccc3OC)[nH]2)C1 ZINC001033658625 1341933604 /nfs/dbraw/zinc/93/36/04/1341933604.db2.gz HQIHAQASECNDNR-CYBMUJFWSA-N 1 2 347.846 3.075 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c(cccc3OC)[nH]2)C1 ZINC001033658625 1341933606 /nfs/dbraw/zinc/93/36/06/1341933606.db2.gz HQIHAQASECNDNR-CYBMUJFWSA-N 1 2 347.846 3.075 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccnc(C3CC3)c2)C1 ZINC001033886101 1342059372 /nfs/dbraw/zinc/05/93/72/1342059372.db2.gz DYBLLFNEKSAWSZ-MRXNPFEDSA-N 1 2 333.863 3.248 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccnc(C3CC3)c2)C1 ZINC001033886101 1342059377 /nfs/dbraw/zinc/05/93/77/1342059377.db2.gz DYBLLFNEKSAWSZ-MRXNPFEDSA-N 1 2 333.863 3.248 20 30 EGEDLO C=CCCC(=O)N1CC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001075094654 1356300979 /nfs/dbraw/zinc/30/09/79/1356300979.db2.gz BQDZGAJPLFZLRW-RDJZCZTQSA-N 1 2 343.471 3.082 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCc3cccnc32)C1 ZINC001033932484 1342096745 /nfs/dbraw/zinc/09/67/45/1342096745.db2.gz OTQLVGOYTJYNHM-IRXDYDNUSA-N 1 2 347.890 3.177 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCc3cccnc32)C1 ZINC001033932484 1342096747 /nfs/dbraw/zinc/09/67/47/1342096747.db2.gz OTQLVGOYTJYNHM-IRXDYDNUSA-N 1 2 347.890 3.177 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cccnc2C2CC2)C1 ZINC001034288367 1342375404 /nfs/dbraw/zinc/37/54/04/1342375404.db2.gz JRVVSNYNFXHXDN-HNNXBMFYSA-N 1 2 333.863 3.296 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cccnc2C2CC2)C1 ZINC001034288367 1342375407 /nfs/dbraw/zinc/37/54/07/1342375407.db2.gz JRVVSNYNFXHXDN-HNNXBMFYSA-N 1 2 333.863 3.296 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cc(C(C)(C)C)on2)C1 ZINC001034304994 1342387511 /nfs/dbraw/zinc/38/75/11/1342387511.db2.gz BSMZGAMKXTVMNH-ZDUSSCGKSA-N 1 2 339.867 3.309 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cc(C(C)(C)C)on2)C1 ZINC001034304994 1342387514 /nfs/dbraw/zinc/38/75/14/1342387514.db2.gz BSMZGAMKXTVMNH-ZDUSSCGKSA-N 1 2 339.867 3.309 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001034350773 1342420771 /nfs/dbraw/zinc/42/07/71/1342420771.db2.gz KHPPZPDRZIHYQA-ZIAGYGMSSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001034350773 1342420774 /nfs/dbraw/zinc/42/07/74/1342420774.db2.gz KHPPZPDRZIHYQA-ZIAGYGMSSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2sccc2OC)C1 ZINC001034499470 1342556765 /nfs/dbraw/zinc/55/67/65/1342556765.db2.gz SMNWLUUOCUJJBS-LBPRGKRZSA-N 1 2 328.865 3.094 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2sccc2OC)C1 ZINC001034499470 1342556769 /nfs/dbraw/zinc/55/67/69/1342556769.db2.gz SMNWLUUOCUJJBS-LBPRGKRZSA-N 1 2 328.865 3.094 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc3cc(Cl)ccc3o2)C1 ZINC001035439438 1343092276 /nfs/dbraw/zinc/09/22/76/1343092276.db2.gz PLFNAEDWFKHIQO-HNNXBMFYSA-N 1 2 348.830 3.093 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc3cc(Cl)ccc3o2)C1 ZINC001035439438 1343092279 /nfs/dbraw/zinc/09/22/79/1343092279.db2.gz PLFNAEDWFKHIQO-HNNXBMFYSA-N 1 2 348.830 3.093 20 30 EGEDLO C[C@H](C#N)C(=O)N1CCC2(C[NH+](Cc3cc(Cl)ccc3F)C2)CC1 ZINC001035673064 1343131478 /nfs/dbraw/zinc/13/14/78/1343131478.db2.gz LSSLIQPGVRUYOW-CYBMUJFWSA-N 1 2 349.837 3.063 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC2(C[NH+](Cc3cc(C)on3)C2)CC1 ZINC001035781881 1343192817 /nfs/dbraw/zinc/19/28/17/1343192817.db2.gz BSBRLLFJJHTDEH-GOSISDBHSA-N 1 2 331.460 3.010 20 30 EGEDLO C=C1CCC(C(=O)N2CCC3(C[NH+](Cc4nocc4C)C3)CC2)CC1 ZINC001035786139 1343197588 /nfs/dbraw/zinc/19/75/88/1343197588.db2.gz AZIARCBOYSEVMN-UHFFFAOYSA-N 1 2 343.471 3.154 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)CC[C@@H]1CC[C@H](C)O1)CC2 ZINC001035854481 1343231661 /nfs/dbraw/zinc/23/16/61/1343231661.db2.gz ZUWZIHIRCBDRAU-HOTGVXAUSA-N 1 2 340.895 3.011 20 30 EGEDLO C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038164535 1344306935 /nfs/dbraw/zinc/30/69/35/1344306935.db2.gz UQIBVDYMOPMFJV-JSGCOSHPSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038164535 1344306939 /nfs/dbraw/zinc/30/69/39/1344306939.db2.gz UQIBVDYMOPMFJV-JSGCOSHPSA-N 1 2 342.830 3.105 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(Cl)c2)cc1 ZINC001038589826 1344496370 /nfs/dbraw/zinc/49/63/70/1344496370.db2.gz STLCFTRETFSSOW-IBGZPJMESA-N 1 2 338.838 3.326 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(Cl)c2)cc1 ZINC001038589826 1344496374 /nfs/dbraw/zinc/49/63/74/1344496374.db2.gz STLCFTRETFSSOW-IBGZPJMESA-N 1 2 338.838 3.326 20 30 EGEDLO CC1(C)CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001038602926 1344498784 /nfs/dbraw/zinc/49/87/84/1344498784.db2.gz FYECAPFIAQPVOT-BBRMVZONSA-N 1 2 331.485 3.137 20 30 EGEDLO CC1(C)CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001038602926 1344498787 /nfs/dbraw/zinc/49/87/87/1344498787.db2.gz FYECAPFIAQPVOT-BBRMVZONSA-N 1 2 331.485 3.137 20 30 EGEDLO CC1(C)CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001038602928 1344498909 /nfs/dbraw/zinc/49/89/09/1344498909.db2.gz FYECAPFIAQPVOT-CJNGLKHVSA-N 1 2 331.485 3.137 20 30 EGEDLO CC1(C)CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001038602928 1344498911 /nfs/dbraw/zinc/49/89/11/1344498911.db2.gz FYECAPFIAQPVOT-CJNGLKHVSA-N 1 2 331.485 3.137 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001039131211 1344809534 /nfs/dbraw/zinc/80/95/34/1344809534.db2.gz HDIBFVOZAIPCCQ-KGLIPLIRSA-N 1 2 336.373 3.023 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001039131211 1344809536 /nfs/dbraw/zinc/80/95/36/1344809536.db2.gz HDIBFVOZAIPCCQ-KGLIPLIRSA-N 1 2 336.373 3.023 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](F)C(F)(F)F)CC2)C1 ZINC001039131211 1344809538 /nfs/dbraw/zinc/80/95/38/1344809538.db2.gz HDIBFVOZAIPCCQ-KGLIPLIRSA-N 1 2 336.373 3.023 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](F)C(F)(F)F)CC2)C1 ZINC001039131211 1344809540 /nfs/dbraw/zinc/80/95/40/1344809540.db2.gz HDIBFVOZAIPCCQ-KGLIPLIRSA-N 1 2 336.373 3.023 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1cccs1 ZINC001079376607 1357239392 /nfs/dbraw/zinc/23/93/92/1357239392.db2.gz CLIYRFBYTIKATO-MLGOLLRUSA-N 1 2 343.427 3.009 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1cccs1 ZINC001079376607 1357239395 /nfs/dbraw/zinc/23/93/95/1357239395.db2.gz CLIYRFBYTIKATO-MLGOLLRUSA-N 1 2 343.427 3.009 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)c3c(Cl)[nH]nc3C3CC3)C2)C1 ZINC001041351045 1345708065 /nfs/dbraw/zinc/70/80/65/1345708065.db2.gz ZOMLVSRFLJNWAZ-GOSISDBHSA-N 1 2 348.878 3.055 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)c3c(Cl)[nH]nc3C3CC3)C2)C1 ZINC001041351045 1345708068 /nfs/dbraw/zinc/70/80/68/1345708068.db2.gz ZOMLVSRFLJNWAZ-GOSISDBHSA-N 1 2 348.878 3.055 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3conc3C(C)C)C[C@H]21 ZINC001042090080 1345941283 /nfs/dbraw/zinc/94/12/83/1345941283.db2.gz IMXBVUYASLJHOJ-UKRRQHHQSA-N 1 2 337.851 3.087 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3conc3C(C)C)C[C@H]21 ZINC001042090080 1345941285 /nfs/dbraw/zinc/94/12/85/1345941285.db2.gz IMXBVUYASLJHOJ-UKRRQHHQSA-N 1 2 337.851 3.087 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3coc(C4CC4)n3)[C@H]2C1 ZINC001042184028 1345971691 /nfs/dbraw/zinc/97/16/91/1345971691.db2.gz SMTWKMMTYICYAS-YOEHRIQHSA-N 1 2 343.471 3.187 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3coc(C4CC4)n3)[C@H]2C1 ZINC001042184028 1345971692 /nfs/dbraw/zinc/97/16/92/1345971692.db2.gz SMTWKMMTYICYAS-YOEHRIQHSA-N 1 2 343.471 3.187 20 30 EGEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](Cc3ccc4c(c3)CCC4)C2)cc1 ZINC001043505644 1346184458 /nfs/dbraw/zinc/18/44/58/1346184458.db2.gz ZWTWMCSODDYRGR-UHFFFAOYSA-N 1 2 344.458 3.113 20 30 EGEDLO C=C1CCC(C(=O)N(C)C2C[NH+](Cc3ccc(C)c(OC)c3)C2)CC1 ZINC001043760121 1346204969 /nfs/dbraw/zinc/20/49/69/1346204969.db2.gz LMWHLURPLGBLEM-UHFFFAOYSA-N 1 2 342.483 3.393 20 30 EGEDLO C=C1CCC(C(=O)NC2(C)CC[NH+](Cc3nccc(C)n3)CC2)CC1 ZINC001045545595 1346625995 /nfs/dbraw/zinc/62/59/95/1346625995.db2.gz GNCQLIPPSFOINO-UHFFFAOYSA-N 1 2 342.487 3.002 20 30 EGEDLO C=C1CCC(C(=O)NC2(C)CC[NH+](Cc3nnc(C)s3)CC2)CC1 ZINC001045545995 1346626079 /nfs/dbraw/zinc/62/60/79/1346626079.db2.gz ORNBAMFHXIRKPN-UHFFFAOYSA-N 1 2 348.516 3.064 20 30 EGEDLO C[C@@]1(NC(=O)c2cccs2)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046116446 1346854229 /nfs/dbraw/zinc/85/42/29/1346854229.db2.gz XKQMGLULSSGALG-GOSISDBHSA-N 1 2 343.427 3.153 20 30 EGEDLO C[C@@]1(NC(=O)c2cccs2)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046116446 1346854232 /nfs/dbraw/zinc/85/42/32/1346854232.db2.gz XKQMGLULSSGALG-GOSISDBHSA-N 1 2 343.427 3.153 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2nc(C(C)C)oc2C)C1 ZINC001046318294 1346932739 /nfs/dbraw/zinc/93/27/39/1346932739.db2.gz CEBAEHFORJUFMB-INIZCTEOSA-N 1 2 325.840 3.053 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2nc(C(C)C)oc2C)C1 ZINC001046318294 1346932742 /nfs/dbraw/zinc/93/27/42/1346932742.db2.gz CEBAEHFORJUFMB-INIZCTEOSA-N 1 2 325.840 3.053 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2nc(C(C)C)oc2C)C1 ZINC001046318296 1346933263 /nfs/dbraw/zinc/93/32/63/1346933263.db2.gz CEBAEHFORJUFMB-MRXNPFEDSA-N 1 2 325.840 3.053 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2nc(C(C)C)oc2C)C1 ZINC001046318296 1346933265 /nfs/dbraw/zinc/93/32/65/1346933265.db2.gz CEBAEHFORJUFMB-MRXNPFEDSA-N 1 2 325.840 3.053 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnc3ccsc3c2)C1 ZINC001046536852 1347007807 /nfs/dbraw/zinc/00/78/07/1347007807.db2.gz AFHAFGKDIMORDE-MRXNPFEDSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnc3ccsc3c2)C1 ZINC001046536852 1347007808 /nfs/dbraw/zinc/00/78/08/1347007808.db2.gz AFHAFGKDIMORDE-MRXNPFEDSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C)c(F)c2F)C1 ZINC001046643854 1347046091 /nfs/dbraw/zinc/04/60/91/1347046091.db2.gz ZLCFFQHVICDTLR-MRXNPFEDSA-N 1 2 328.790 3.220 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C)c(F)c2F)C1 ZINC001046643854 1347046092 /nfs/dbraw/zinc/04/60/92/1347046092.db2.gz ZLCFFQHVICDTLR-MRXNPFEDSA-N 1 2 328.790 3.220 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cccc(C(F)(F)F)n2)C1 ZINC001046724662 1347073365 /nfs/dbraw/zinc/07/33/65/1347073365.db2.gz NYEMQAGNEQVFAM-AWEZNQCLSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cccc(C(F)(F)F)n2)C1 ZINC001046724662 1347073369 /nfs/dbraw/zinc/07/33/69/1347073369.db2.gz NYEMQAGNEQVFAM-AWEZNQCLSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc[nH]c2CC)C1 ZINC001046931359 1347156256 /nfs/dbraw/zinc/15/62/56/1347156256.db2.gz AOBAZUQVXCSRCG-GFCCVEGCSA-N 1 2 345.821 3.017 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc[nH]c2CC)C1 ZINC001046931359 1347156257 /nfs/dbraw/zinc/15/62/57/1347156257.db2.gz AOBAZUQVXCSRCG-GFCCVEGCSA-N 1 2 345.821 3.017 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc[nH]c2CC)C1 ZINC001046931360 1347156343 /nfs/dbraw/zinc/15/63/43/1347156343.db2.gz AOBAZUQVXCSRCG-LBPRGKRZSA-N 1 2 345.821 3.017 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc[nH]c2CC)C1 ZINC001046931360 1347156344 /nfs/dbraw/zinc/15/63/44/1347156344.db2.gz AOBAZUQVXCSRCG-LBPRGKRZSA-N 1 2 345.821 3.017 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001046963949 1347168373 /nfs/dbraw/zinc/16/83/73/1347168373.db2.gz KIJKNEDAFKULFS-OLZOCXBDSA-N 1 2 334.838 3.249 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001046963949 1347168375 /nfs/dbraw/zinc/16/83/75/1347168375.db2.gz KIJKNEDAFKULFS-OLZOCXBDSA-N 1 2 334.838 3.249 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CC3(CC3)C2)C1 ZINC001046971066 1347171575 /nfs/dbraw/zinc/17/15/75/1347171575.db2.gz RVCPIZOHQPVVQW-ZDUSSCGKSA-N 1 2 332.822 3.003 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CC3(CC3)C2)C1 ZINC001046971066 1347171578 /nfs/dbraw/zinc/17/15/78/1347171578.db2.gz RVCPIZOHQPVVQW-ZDUSSCGKSA-N 1 2 332.822 3.003 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2csc(C)c2)C1 ZINC001046981911 1347175856 /nfs/dbraw/zinc/17/58/56/1347175856.db2.gz JCEZAVFSWKLBCP-CYBMUJFWSA-N 1 2 348.846 3.496 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2csc(C)c2)C1 ZINC001046981911 1347175858 /nfs/dbraw/zinc/17/58/58/1347175858.db2.gz JCEZAVFSWKLBCP-CYBMUJFWSA-N 1 2 348.846 3.496 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1cscn1 ZINC001049637578 1347947108 /nfs/dbraw/zinc/94/71/08/1347947108.db2.gz HPDHZVPHFJBMEZ-HOTGVXAUSA-N 1 2 333.501 3.311 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1cscn1 ZINC001049637578 1347947109 /nfs/dbraw/zinc/94/71/09/1347947109.db2.gz HPDHZVPHFJBMEZ-HOTGVXAUSA-N 1 2 333.501 3.311 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1csc(CC)n1 ZINC001049638923 1347947979 /nfs/dbraw/zinc/94/79/79/1347947979.db2.gz NIIKODZXTGIAAM-CVEARBPZSA-N 1 2 347.528 3.483 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1csc(CC)n1 ZINC001049638923 1347947982 /nfs/dbraw/zinc/94/79/82/1347947982.db2.gz NIIKODZXTGIAAM-CVEARBPZSA-N 1 2 347.528 3.483 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3Cc2cscn2)CC1 ZINC001049691685 1347974200 /nfs/dbraw/zinc/97/42/00/1347974200.db2.gz YUSIMAJPHBJWHF-QZTJIDSGSA-N 1 2 345.512 3.455 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3Cc2cscn2)CC1 ZINC001049691685 1347974202 /nfs/dbraw/zinc/97/42/02/1347974202.db2.gz YUSIMAJPHBJWHF-QZTJIDSGSA-N 1 2 345.512 3.455 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3Cc2cscn2)C1 ZINC001049703523 1347981689 /nfs/dbraw/zinc/98/16/89/1347981689.db2.gz SVWQSOXHEZOPCX-HOTGVXAUSA-N 1 2 331.485 3.065 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3Cc2cscn2)C1 ZINC001049703523 1347981691 /nfs/dbraw/zinc/98/16/91/1347981691.db2.gz SVWQSOXHEZOPCX-HOTGVXAUSA-N 1 2 331.485 3.065 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)C(C)C ZINC001049769150 1348012386 /nfs/dbraw/zinc/01/23/86/1348012386.db2.gz NQOSCAHCRLGFCE-SOUVJXGZSA-N 1 2 343.309 3.252 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)C(C)C ZINC001049769150 1348012390 /nfs/dbraw/zinc/01/23/90/1348012390.db2.gz NQOSCAHCRLGFCE-SOUVJXGZSA-N 1 2 343.309 3.252 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)c3ccc[nH]3)cccc2C1 ZINC001051279611 1348416169 /nfs/dbraw/zinc/41/61/69/1348416169.db2.gz IBTFXJYBSNGZJC-UHFFFAOYSA-N 1 2 329.831 3.055 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)c3ccc[nH]3)cccc2C1 ZINC001051279611 1348416171 /nfs/dbraw/zinc/41/61/71/1348416171.db2.gz IBTFXJYBSNGZJC-UHFFFAOYSA-N 1 2 329.831 3.055 20 30 EGEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)C3(C)CCCCCC3)C2)CC1 ZINC001052036997 1348499068 /nfs/dbraw/zinc/49/90/68/1348499068.db2.gz AQZQQNFSTUVFAF-LJQANCHMSA-N 1 2 347.547 3.142 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1sccc1C1CC1)O2 ZINC001053696689 1349096089 /nfs/dbraw/zinc/09/60/89/1349096089.db2.gz NVKKIOBBQWQTTH-OAHLLOKOSA-N 1 2 346.496 3.165 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C(C)(C)C)oc1C)CO2 ZINC001053940030 1349125100 /nfs/dbraw/zinc/12/51/00/1349125100.db2.gz UNCWGPUJCHOJNO-OAHLLOKOSA-N 1 2 346.471 3.035 20 30 EGEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(C)cs1 ZINC001054040653 1349135584 /nfs/dbraw/zinc/13/55/84/1349135584.db2.gz ZOEGDAUYNBLUAX-SFHVURJKSA-N 1 2 338.476 3.237 20 30 EGEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(C)cs1 ZINC001054040653 1349135585 /nfs/dbraw/zinc/13/55/85/1349135585.db2.gz ZOEGDAUYNBLUAX-SFHVURJKSA-N 1 2 338.476 3.237 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1c(C)cccc1C ZINC001054053069 1349140134 /nfs/dbraw/zinc/14/01/34/1349140134.db2.gz LKSWZLUKPANFDR-FQEVSTJZSA-N 1 2 332.447 3.093 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1c(C)cccc1C ZINC001054053069 1349140136 /nfs/dbraw/zinc/14/01/36/1349140136.db2.gz LKSWZLUKPANFDR-FQEVSTJZSA-N 1 2 332.447 3.093 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cccc4scnc43)cc2C1 ZINC001054264592 1349262065 /nfs/dbraw/zinc/26/20/65/1349262065.db2.gz LLCVBKRIPSLIKH-UHFFFAOYSA-N 1 2 347.443 3.175 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cccc4scnc43)cc2C1 ZINC001054264592 1349262069 /nfs/dbraw/zinc/26/20/69/1349262069.db2.gz LLCVBKRIPSLIKH-UHFFFAOYSA-N 1 2 347.443 3.175 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3c(C)cc(F)cc3C)cc2C1 ZINC001054276668 1349277331 /nfs/dbraw/zinc/27/73/31/1349277331.db2.gz PNZJNAUGLRIKNY-UHFFFAOYSA-N 1 2 336.410 3.321 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3c(C)cc(F)cc3C)cc2C1 ZINC001054276668 1349277333 /nfs/dbraw/zinc/27/73/33/1349277333.db2.gz PNZJNAUGLRIKNY-UHFFFAOYSA-N 1 2 336.410 3.321 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc(CC)c(C)s3)cc2C1 ZINC001054291213 1349296069 /nfs/dbraw/zinc/29/60/69/1349296069.db2.gz BIZXXHUQWVTHCJ-UHFFFAOYSA-N 1 2 338.476 3.498 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc(CC)c(C)s3)cc2C1 ZINC001054291213 1349296072 /nfs/dbraw/zinc/29/60/72/1349296072.db2.gz BIZXXHUQWVTHCJ-UHFFFAOYSA-N 1 2 338.476 3.498 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001056750422 1349932129 /nfs/dbraw/zinc/93/21/29/1349932129.db2.gz HMVIJYXTXAMGMH-OAHLLOKOSA-N 1 2 328.460 3.278 20 30 EGEDLO C#Cc1ccc(C(=O)N2CC[C@H](Nc3cc(C)[nH+]c(C(C)C)n3)C2)cc1 ZINC001059025358 1350340151 /nfs/dbraw/zinc/34/01/51/1350340151.db2.gz IRGXVRVEJIBGLT-SFHVURJKSA-N 1 2 348.450 3.216 20 30 EGEDLO C=C[C@H](C(=O)N1CC[C@H](CNc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001060882498 1351165272 /nfs/dbraw/zinc/16/52/72/1351165272.db2.gz KDAXKZCVEHFCLC-AEFFLSMTSA-N 1 2 336.439 3.015 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(F)ccc2Cl)C1 ZINC001080501069 1357646211 /nfs/dbraw/zinc/64/62/11/1357646211.db2.gz QRJSVLDMEZYXQQ-YMTOWFKASA-N 1 2 331.218 3.282 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(F)ccc2Cl)C1 ZINC001080501069 1357646213 /nfs/dbraw/zinc/64/62/13/1357646213.db2.gz QRJSVLDMEZYXQQ-YMTOWFKASA-N 1 2 331.218 3.282 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H](C)[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001065895023 1352913342 /nfs/dbraw/zinc/91/33/42/1352913342.db2.gz QAASNUJXHCTLMC-XJKSGUPXSA-N 1 2 342.487 3.381 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC(N(C)c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001068712475 1353763246 /nfs/dbraw/zinc/76/32/46/1353763246.db2.gz NTBVUGVIDSTRHO-UHFFFAOYSA-N 1 2 342.487 3.302 20 30 EGEDLO Cc1ccoc1C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC#Cc2ccccc2)C1 ZINC001071352083 1354621048 /nfs/dbraw/zinc/62/10/48/1354621048.db2.gz MUPWRRXETLCFMP-IEBWSBKVSA-N 1 2 336.435 3.222 20 30 EGEDLO Cc1ccoc1C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC#Cc2ccccc2)C1 ZINC001071352083 1354621051 /nfs/dbraw/zinc/62/10/51/1354621051.db2.gz MUPWRRXETLCFMP-IEBWSBKVSA-N 1 2 336.435 3.222 20 30 EGEDLO Cc1cncc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001071409345 1354673344 /nfs/dbraw/zinc/67/33/44/1354673344.db2.gz VPGVHZRRJLPWSL-OXJNMPFZSA-N 1 2 348.450 3.045 20 30 EGEDLO Cc1cncc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001071409345 1354673345 /nfs/dbraw/zinc/67/33/45/1354673345.db2.gz VPGVHZRRJLPWSL-OXJNMPFZSA-N 1 2 348.450 3.045 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C=C2CCC2)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC001071420180 1354684601 /nfs/dbraw/zinc/68/46/01/1354684601.db2.gz KLDONLGLPYFMHF-IFXJQAMLSA-N 1 2 341.430 3.277 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C=C2CCC2)C[N@H+]1Cc1cc(F)ccc1C#N ZINC001071420180 1354684604 /nfs/dbraw/zinc/68/46/04/1354684604.db2.gz KLDONLGLPYFMHF-IFXJQAMLSA-N 1 2 341.430 3.277 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001080778073 1357737058 /nfs/dbraw/zinc/73/70/58/1357737058.db2.gz UMDXMIXFPAVZGD-DDTOSNHZSA-N 1 2 326.893 3.349 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001080778073 1357737063 /nfs/dbraw/zinc/73/70/63/1357737063.db2.gz UMDXMIXFPAVZGD-DDTOSNHZSA-N 1 2 326.893 3.349 20 30 EGEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2snc(Cl)c2Cl)CC[C@H]1C ZINC001071536202 1354752145 /nfs/dbraw/zinc/75/21/45/1354752145.db2.gz DLJFBWPSZAPEBL-ZJUUUORDSA-N 1 2 346.283 3.056 20 30 EGEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2snc(Cl)c2Cl)CC[C@H]1C ZINC001071536202 1354752148 /nfs/dbraw/zinc/75/21/48/1354752148.db2.gz DLJFBWPSZAPEBL-ZJUUUORDSA-N 1 2 346.283 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc3nc(C)oc3c2)CC[C@H]1C ZINC001071579252 1354776620 /nfs/dbraw/zinc/77/66/20/1354776620.db2.gz BEVUKLWTLLVQRP-IUODEOHRSA-N 1 2 347.846 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc3nc(C)oc3c2)CC[C@H]1C ZINC001071579252 1354776623 /nfs/dbraw/zinc/77/66/23/1354776623.db2.gz BEVUKLWTLLVQRP-IUODEOHRSA-N 1 2 347.846 3.471 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc3oc(C)nc3c2)CC[C@H]1C ZINC001071600628 1354788721 /nfs/dbraw/zinc/78/87/21/1354788721.db2.gz OJVLNLCOAMTNSV-IUODEOHRSA-N 1 2 347.846 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc3oc(C)nc3c2)CC[C@H]1C ZINC001071600628 1354788725 /nfs/dbraw/zinc/78/87/25/1354788725.db2.gz OJVLNLCOAMTNSV-IUODEOHRSA-N 1 2 347.846 3.471 20 30 EGEDLO C#CCCCC(=O)N[C@@H](C)C[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001089298911 1360318429 /nfs/dbraw/zinc/31/84/29/1360318429.db2.gz RNKBNMTVHMXNOP-KBPBESRZSA-N 1 2 328.460 3.161 20 30 EGEDLO Cc1coc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001071749569 1354900238 /nfs/dbraw/zinc/90/02/38/1354900238.db2.gz WLMBQDDIZZFTPA-MAUKXSAKSA-N 1 2 337.423 3.243 20 30 EGEDLO Cc1coc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001071749569 1354900242 /nfs/dbraw/zinc/90/02/42/1354900242.db2.gz WLMBQDDIZZFTPA-MAUKXSAKSA-N 1 2 337.423 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2c(F)cccc2F)CC[C@H]1C ZINC001071772595 1354919925 /nfs/dbraw/zinc/91/99/25/1354919925.db2.gz NEXSHJNQDUMQGS-CHWSQXEVSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2c(F)cccc2F)CC[C@H]1C ZINC001071772595 1354919929 /nfs/dbraw/zinc/91/99/29/1354919929.db2.gz NEXSHJNQDUMQGS-CHWSQXEVSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccc(F)c2F)CC[C@H]1C ZINC001071775654 1354921535 /nfs/dbraw/zinc/92/15/35/1354921535.db2.gz GFZQVUCZJKTKHR-VXGBXAGGSA-N 1 2 328.790 3.300 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cccc(F)c2F)CC[C@H]1C ZINC001071775654 1354921544 /nfs/dbraw/zinc/92/15/44/1354921544.db2.gz GFZQVUCZJKTKHR-VXGBXAGGSA-N 1 2 328.790 3.300 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cn(C(C)C)nc2C)CC[C@@H]1C ZINC001071983051 1355058028 /nfs/dbraw/zinc/05/80/28/1355058028.db2.gz VFFITJKLNMDHST-DZGCQCFKSA-N 1 2 338.883 3.108 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cn(C(C)C)nc2C)CC[C@@H]1C ZINC001071983051 1355058031 /nfs/dbraw/zinc/05/80/31/1355058031.db2.gz VFFITJKLNMDHST-DZGCQCFKSA-N 1 2 338.883 3.108 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2c[nH]c3ccccc23)CC[C@@H]1C ZINC001072012605 1355076359 /nfs/dbraw/zinc/07/63/59/1355076359.db2.gz PXZAQEAZHXTBBJ-HOCLYGCPSA-N 1 2 345.874 3.432 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH]c3ccccc23)CC[C@@H]1C ZINC001072012605 1355076362 /nfs/dbraw/zinc/07/63/62/1355076362.db2.gz PXZAQEAZHXTBBJ-HOCLYGCPSA-N 1 2 345.874 3.432 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccc(N(C)C)c2)CC[C@H]1C ZINC001072023043 1355084937 /nfs/dbraw/zinc/08/49/37/1355084937.db2.gz KUDURTWCOITCFA-GDBMZVCRSA-N 1 2 335.879 3.088 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cccc(N(C)C)c2)CC[C@H]1C ZINC001072023043 1355084939 /nfs/dbraw/zinc/08/49/39/1355084939.db2.gz KUDURTWCOITCFA-GDBMZVCRSA-N 1 2 335.879 3.088 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C3CC3)o1)C2 ZINC001072945337 1355513259 /nfs/dbraw/zinc/51/32/59/1355513259.db2.gz ZURNGILQVHEHGL-LJQANCHMSA-N 1 2 343.471 3.189 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C3CC3)o1)C2 ZINC001072945337 1355513262 /nfs/dbraw/zinc/51/32/62/1355513262.db2.gz ZURNGILQVHEHGL-LJQANCHMSA-N 1 2 343.471 3.189 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001094712914 1361898228 /nfs/dbraw/zinc/89/82/28/1361898228.db2.gz NONIOOZVMBWTGW-KGLIPLIRSA-N 1 2 330.476 3.040 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCCN1C(=O)C(C)(C)F ZINC001073927450 1355961779 /nfs/dbraw/zinc/96/17/79/1355961779.db2.gz HVRUPMNGIABYQG-QGZVFWFLSA-N 1 2 349.425 3.258 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCCN1C(=O)C(C)(C)F ZINC001073927450 1355961782 /nfs/dbraw/zinc/96/17/82/1355961782.db2.gz HVRUPMNGIABYQG-QGZVFWFLSA-N 1 2 349.425 3.258 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCC[N@@H+](Cc3ccccc3C)[C@H]2C1 ZINC001074312296 1356163039 /nfs/dbraw/zinc/16/30/39/1356163039.db2.gz LGQFRTUVIPZBTJ-RBUKOAKNSA-N 1 2 342.483 3.009 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCC[N@H+](Cc3ccccc3C)[C@H]2C1 ZINC001074312296 1356163040 /nfs/dbraw/zinc/16/30/40/1356163040.db2.gz LGQFRTUVIPZBTJ-RBUKOAKNSA-N 1 2 342.483 3.009 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(Cl)c(C)c3)C[C@H]21 ZINC001074331261 1356171909 /nfs/dbraw/zinc/17/19/09/1356171909.db2.gz FEUDUWUDDMNIMF-QZTJIDSGSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(Cl)c(C)c3)C[C@H]21 ZINC001074331261 1356171910 /nfs/dbraw/zinc/17/19/10/1356171910.db2.gz FEUDUWUDDMNIMF-QZTJIDSGSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C)c(Cl)c3)C[C@@H]21 ZINC001074331731 1356172226 /nfs/dbraw/zinc/17/22/26/1356172226.db2.gz MAXRHXCSYRWMOT-ZWKOTPCHSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C)c(Cl)c3)C[C@@H]21 ZINC001074331731 1356172228 /nfs/dbraw/zinc/17/22/28/1356172228.db2.gz MAXRHXCSYRWMOT-ZWKOTPCHSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4csc(C)n4)C[C@H]32)CC1 ZINC001076209676 1356520262 /nfs/dbraw/zinc/52/02/62/1356520262.db2.gz CNRRORFJCPKYMY-FUHWJXTLSA-N 1 2 345.512 3.231 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4csc(C)n4)C[C@H]32)CC1 ZINC001076209676 1356520264 /nfs/dbraw/zinc/52/02/64/1356520264.db2.gz CNRRORFJCPKYMY-FUHWJXTLSA-N 1 2 345.512 3.231 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccsc3Cl)[C@@H]2C1 ZINC001076324939 1356549611 /nfs/dbraw/zinc/54/96/11/1356549611.db2.gz IOMWIGMJWMSBJZ-CMPLNLGQSA-N 1 2 331.268 3.300 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccsc3Cl)[C@@H]2C1 ZINC001076324939 1356549608 /nfs/dbraw/zinc/54/96/08/1356549608.db2.gz IOMWIGMJWMSBJZ-CMPLNLGQSA-N 1 2 331.268 3.300 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4cccnc4c3)[C@@H]2C1 ZINC001076372482 1356561920 /nfs/dbraw/zinc/56/19/20/1356561920.db2.gz CVHHSSMVMAKCAO-FUHWJXTLSA-N 1 2 341.842 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4cccnc4c3)[C@@H]2C1 ZINC001076372482 1356561924 /nfs/dbraw/zinc/56/19/24/1356561924.db2.gz CVHHSSMVMAKCAO-FUHWJXTLSA-N 1 2 341.842 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3coc(C4CCCC4)n3)[C@@H]2C1 ZINC001076413222 1356571772 /nfs/dbraw/zinc/57/17/72/1356571772.db2.gz PFUODQYDSBTIQH-GOEBONIOSA-N 1 2 349.862 3.231 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3coc(C4CCCC4)n3)[C@@H]2C1 ZINC001076413222 1356571778 /nfs/dbraw/zinc/57/17/78/1356571778.db2.gz PFUODQYDSBTIQH-GOEBONIOSA-N 1 2 349.862 3.231 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)OCC ZINC001098949211 1363536240 /nfs/dbraw/zinc/53/62/40/1363536240.db2.gz PWIHZJDLPHMYKG-LSDHHAIUSA-N 1 2 330.900 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)OCC ZINC001098949211 1363536242 /nfs/dbraw/zinc/53/62/42/1363536242.db2.gz PWIHZJDLPHMYKG-LSDHHAIUSA-N 1 2 330.900 3.161 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001077775848 1356839460 /nfs/dbraw/zinc/83/94/60/1356839460.db2.gz QUDPURXKSJSVLJ-XOBRGWDASA-N 1 2 345.487 3.234 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001080870427 1357754921 /nfs/dbraw/zinc/75/49/21/1357754921.db2.gz GAMFEPLLCXEQDS-HPEXNQPKSA-N 1 2 339.266 3.169 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001080870427 1357754923 /nfs/dbraw/zinc/75/49/23/1357754923.db2.gz GAMFEPLLCXEQDS-HPEXNQPKSA-N 1 2 339.266 3.169 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(OC)c(Cl)c2)C1 ZINC001080914499 1357764536 /nfs/dbraw/zinc/76/45/36/1357764536.db2.gz FJOKNLXKZDLNFD-QMTHXVAHSA-N 1 2 343.254 3.151 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(OC)c(Cl)c2)C1 ZINC001080914499 1357764537 /nfs/dbraw/zinc/76/45/37/1357764537.db2.gz FJOKNLXKZDLNFD-QMTHXVAHSA-N 1 2 343.254 3.151 20 30 EGEDLO CCc1ccc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)o1 ZINC001084459052 1358220105 /nfs/dbraw/zinc/22/01/05/1358220105.db2.gz YYISDTGOKWMNNI-UYAOXDASSA-N 1 2 348.446 3.040 20 30 EGEDLO CCc1ccc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)o1 ZINC001084459052 1358220109 /nfs/dbraw/zinc/22/01/09/1358220109.db2.gz YYISDTGOKWMNNI-UYAOXDASSA-N 1 2 348.446 3.040 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccnc4ccccc43)[C@@H]2C1 ZINC001084496579 1358225626 /nfs/dbraw/zinc/22/56/26/1358225626.db2.gz LDQFVCMNHRHQIZ-RDTXWAMCSA-N 1 2 341.842 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccnc4ccccc43)[C@@H]2C1 ZINC001084496579 1358225629 /nfs/dbraw/zinc/22/56/29/1358225629.db2.gz LDQFVCMNHRHQIZ-RDTXWAMCSA-N 1 2 341.842 3.134 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)sc3C)C[C@H]21 ZINC001084573870 1358240032 /nfs/dbraw/zinc/24/00/32/1358240032.db2.gz FEQGZMBXLURPMA-NVXWUHKLSA-N 1 2 347.528 3.395 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)sc3C)C[C@H]21 ZINC001084573870 1358240036 /nfs/dbraw/zinc/24/00/36/1358240036.db2.gz FEQGZMBXLURPMA-NVXWUHKLSA-N 1 2 347.528 3.395 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)cs3)C[C@H]21 ZINC001084630618 1358261254 /nfs/dbraw/zinc/26/12/54/1358261254.db2.gz NEAUYUPYVCKBPT-IIDMSEBBSA-N 1 2 333.501 3.087 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)cs3)C[C@H]21 ZINC001084630618 1358261257 /nfs/dbraw/zinc/26/12/57/1358261257.db2.gz NEAUYUPYVCKBPT-IIDMSEBBSA-N 1 2 333.501 3.087 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(F)c4F)C[C@H]32)C1 ZINC001084645970 1358268222 /nfs/dbraw/zinc/26/82/22/1358268222.db2.gz NJICUDXYOVVLNF-RHSMWYFYSA-N 1 2 346.421 3.354 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@@H+](Cc4cccc(F)c4F)C[C@H]32)C1 ZINC001084645970 1358268224 /nfs/dbraw/zinc/26/82/24/1358268224.db2.gz NJICUDXYOVVLNF-RHSMWYFYSA-N 1 2 346.421 3.354 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C)c(F)c(C)c3)[C@@H]2C1 ZINC001084838340 1358324251 /nfs/dbraw/zinc/32/42/51/1358324251.db2.gz FCUDAVWBHYAREJ-GDBMZVCRSA-N 1 2 336.838 3.341 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C)c(F)c(C)c3)[C@@H]2C1 ZINC001084838340 1358324256 /nfs/dbraw/zinc/32/42/56/1358324256.db2.gz FCUDAVWBHYAREJ-GDBMZVCRSA-N 1 2 336.838 3.341 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H](C)c2noc(C)n2)CC1 ZINC001085321178 1358464681 /nfs/dbraw/zinc/46/46/81/1358464681.db2.gz KHAZXFUDOMRXTO-KBRIMQKVSA-N 1 2 346.475 3.202 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1)C(=O)[C@H]1CC=CCC1 ZINC001085479240 1358530781 /nfs/dbraw/zinc/53/07/81/1358530781.db2.gz PFGXCNDRQJQXBR-FUHWJXTLSA-N 1 2 341.430 3.086 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1)C(=O)[C@H]1CC=CCC1 ZINC001085479240 1358530783 /nfs/dbraw/zinc/53/07/83/1358530783.db2.gz PFGXCNDRQJQXBR-FUHWJXTLSA-N 1 2 341.430 3.086 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)[C@H]1CC=CCC1 ZINC001085478868 1358530877 /nfs/dbraw/zinc/53/08/77/1358530877.db2.gz HFLMSTQNAGCIMN-FUHWJXTLSA-N 1 2 341.430 3.086 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)[C@H]1CC=CCC1 ZINC001085478868 1358530879 /nfs/dbraw/zinc/53/08/79/1358530879.db2.gz HFLMSTQNAGCIMN-FUHWJXTLSA-N 1 2 341.430 3.086 20 30 EGEDLO C=CCOc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2C/C=C\Cl)cc1 ZINC001085678756 1358681567 /nfs/dbraw/zinc/68/15/67/1358681567.db2.gz QJMSMPNDHQBELM-FIRRRZPPSA-N 1 2 334.847 3.150 20 30 EGEDLO C=CCOc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2C/C=C\Cl)cc1 ZINC001085678756 1358681570 /nfs/dbraw/zinc/68/15/70/1358681570.db2.gz QJMSMPNDHQBELM-FIRRRZPPSA-N 1 2 334.847 3.150 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)N1CCC2(CCC2)C1 ZINC001183830321 1387355598 /nfs/dbraw/zinc/35/55/98/1387355598.db2.gz DGFNFALCGNHKPI-IBGZPJMESA-N 1 2 337.467 3.315 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(CCC2)C1 ZINC001183830321 1387355602 /nfs/dbraw/zinc/35/56/02/1387355602.db2.gz DGFNFALCGNHKPI-IBGZPJMESA-N 1 2 337.467 3.315 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)CC1 ZINC001085798294 1358774191 /nfs/dbraw/zinc/77/41/91/1358774191.db2.gz NXXALMNFBLFDHX-INIZCTEOSA-N 1 2 343.496 3.399 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)CC1 ZINC001085798294 1358774196 /nfs/dbraw/zinc/77/41/96/1358774196.db2.gz NXXALMNFBLFDHX-INIZCTEOSA-N 1 2 343.496 3.399 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@H]1CC12CCCC2 ZINC001085909492 1358868961 /nfs/dbraw/zinc/86/89/61/1358868961.db2.gz KSGOWKYSPPJBHF-WOJBJXKFSA-N 1 2 336.479 3.151 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@H]1CC12CCCC2 ZINC001085909492 1358868968 /nfs/dbraw/zinc/86/89/68/1358868968.db2.gz KSGOWKYSPPJBHF-WOJBJXKFSA-N 1 2 336.479 3.151 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CC#Cc2ccccc2)CC1 ZINC001085935286 1358888863 /nfs/dbraw/zinc/88/88/63/1358888863.db2.gz AYDCOLYTMNTUJH-HMXCVIKNSA-N 1 2 338.495 3.397 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CC#Cc2ccccc2)CC1 ZINC001085935286 1358888866 /nfs/dbraw/zinc/88/88/66/1358888866.db2.gz AYDCOLYTMNTUJH-HMXCVIKNSA-N 1 2 338.495 3.397 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)CC1 ZINC001085935862 1358890731 /nfs/dbraw/zinc/89/07/31/1358890731.db2.gz QAKVEZMGMTXBEC-BZUAXINKSA-N 1 2 345.512 3.479 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)CC1 ZINC001085935862 1358890737 /nfs/dbraw/zinc/89/07/37/1358890737.db2.gz QAKVEZMGMTXBEC-BZUAXINKSA-N 1 2 345.512 3.479 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3cnccc3o2)[C@H]1CC ZINC001087642440 1359567505 /nfs/dbraw/zinc/56/75/05/1359567505.db2.gz PEJWTAPWMWRKSI-UONOGXRCSA-N 1 2 333.819 3.163 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3cnccc3o2)[C@H]1CC ZINC001087642440 1359567506 /nfs/dbraw/zinc/56/75/06/1359567506.db2.gz PEJWTAPWMWRKSI-UONOGXRCSA-N 1 2 333.819 3.163 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(F)c(F)cc2F)[C@H]1CC ZINC001087706793 1359602275 /nfs/dbraw/zinc/60/22/75/1359602275.db2.gz MGNHGANLNPVYEL-LSDHHAIUSA-N 1 2 346.780 3.439 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(F)c(F)cc2F)[C@H]1CC ZINC001087706793 1359602276 /nfs/dbraw/zinc/60/22/76/1359602276.db2.gz MGNHGANLNPVYEL-LSDHHAIUSA-N 1 2 346.780 3.439 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nccn3CC)[C@@H]2CC)CC1 ZINC001087713744 1359605915 /nfs/dbraw/zinc/60/59/15/1359605915.db2.gz GHIZSVAXZNKCBX-ZWKOTPCHSA-N 1 2 344.503 3.119 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nccn3CC)[C@@H]2CC)CC1 ZINC001087713744 1359605919 /nfs/dbraw/zinc/60/59/19/1359605919.db2.gz GHIZSVAXZNKCBX-ZWKOTPCHSA-N 1 2 344.503 3.119 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ncoc2C(C)(C)C)[C@H]1CC ZINC001087789167 1359645015 /nfs/dbraw/zinc/64/50/15/1359645015.db2.gz BVUPLEYCSSMPCX-QWHCGFSZSA-N 1 2 339.867 3.307 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ncoc2C(C)(C)C)[C@H]1CC ZINC001087789167 1359645017 /nfs/dbraw/zinc/64/50/17/1359645017.db2.gz BVUPLEYCSSMPCX-QWHCGFSZSA-N 1 2 339.867 3.307 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(-c3ccco3)o2)[C@H]1C ZINC001088734259 1360025029 /nfs/dbraw/zinc/02/50/29/1360025029.db2.gz PHKCNOUMJZENEG-OLZOCXBDSA-N 1 2 334.803 3.485 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3ccco3)o2)[C@H]1C ZINC001088734259 1360025034 /nfs/dbraw/zinc/02/50/34/1360025034.db2.gz PHKCNOUMJZENEG-OLZOCXBDSA-N 1 2 334.803 3.485 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2sccc2-n2cccc2)[C@H]1C ZINC001088783281 1360044124 /nfs/dbraw/zinc/04/41/24/1360044124.db2.gz LQRNYTBKYAZESB-KGLIPLIRSA-N 1 2 349.887 3.484 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2sccc2-n2cccc2)[C@H]1C ZINC001088783281 1360044126 /nfs/dbraw/zinc/04/41/26/1360044126.db2.gz LQRNYTBKYAZESB-KGLIPLIRSA-N 1 2 349.887 3.484 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)oc3C)[C@@H]2C)CC1 ZINC001088838594 1360072687 /nfs/dbraw/zinc/07/26/87/1360072687.db2.gz RQQHZWJMGTWEIC-DYVFJYSZSA-N 1 2 331.460 3.117 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)oc3C)[C@@H]2C)CC1 ZINC001088838594 1360072689 /nfs/dbraw/zinc/07/26/89/1360072689.db2.gz RQQHZWJMGTWEIC-DYVFJYSZSA-N 1 2 331.460 3.117 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3ccnc(Cl)c3)[C@@H]2C)C1 ZINC001088839762 1360074237 /nfs/dbraw/zinc/07/42/37/1360074237.db2.gz CUFXITFIESAVBD-HIFRSBDPSA-N 1 2 333.863 3.170 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3ccnc(Cl)c3)[C@@H]2C)C1 ZINC001088839762 1360074240 /nfs/dbraw/zinc/07/42/40/1360074240.db2.gz CUFXITFIESAVBD-HIFRSBDPSA-N 1 2 333.863 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnccc2C(F)(F)F)[C@H]1C ZINC001088883276 1360089341 /nfs/dbraw/zinc/08/93/41/1360089341.db2.gz GIKBJRSANPVQMG-MFKMUULPSA-N 1 2 347.768 3.046 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnccc2C(F)(F)F)[C@H]1C ZINC001088883276 1360089343 /nfs/dbraw/zinc/08/93/43/1360089343.db2.gz GIKBJRSANPVQMG-MFKMUULPSA-N 1 2 347.768 3.046 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(-c3c[nH]cn3)cc2)[C@H]1C ZINC001088956742 1360114297 /nfs/dbraw/zinc/11/42/97/1360114297.db2.gz JZLXDCSGEHTKCD-CJNGLKHVSA-N 1 2 344.846 3.022 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3c[nH]cn3)cc2)[C@H]1C ZINC001088956742 1360114303 /nfs/dbraw/zinc/11/43/03/1360114303.db2.gz JZLXDCSGEHTKCD-CJNGLKHVSA-N 1 2 344.846 3.022 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H](C)[C@H](CNc3cc[nH+]c(C)n3)C2)CCC1 ZINC001089188673 1360238463 /nfs/dbraw/zinc/23/84/63/1360238463.db2.gz XXNRTBYFGQRGIF-DOTOQJQBSA-N 1 2 342.487 3.428 20 30 EGEDLO C#CCC1(C(=O)N[C@@H](C)CCCCNc2cc[nH+]c(C)n2)CCC1 ZINC001090116019 1360832962 /nfs/dbraw/zinc/83/29/62/1360832962.db2.gz MERSWOKATDUEKT-HNNXBMFYSA-N 1 2 328.460 3.066 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@H](C)CCCCNc2cc[nH+]c(C)n2)cc1 ZINC001090132017 1360840749 /nfs/dbraw/zinc/84/07/49/1360840749.db2.gz OUFRNQKNJNODSQ-OAHLLOKOSA-N 1 2 336.439 3.167 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C12CCC2 ZINC001090613603 1360911407 /nfs/dbraw/zinc/91/14/07/1360911407.db2.gz OJASRYWALFNWOJ-GJZGRUSLSA-N 1 2 328.460 3.227 20 30 EGEDLO CC#CCCCC(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001091019752 1360980065 /nfs/dbraw/zinc/98/00/65/1360980065.db2.gz FRUJLSAYNIHUEB-NVXWUHKLSA-N 1 2 342.487 3.361 20 30 EGEDLO C#CCCCC(=O)NC[C@H]1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001091563876 1361146353 /nfs/dbraw/zinc/14/63/53/1361146353.db2.gz KXNVBSCJRJETOU-DOTOQJQBSA-N 1 2 340.471 3.163 20 30 EGEDLO C=C(C)CCC(=O)N1CC2(C[C@@H]1C)CCN(c1cc[nH+]c(C)n1)CC2 ZINC001091651776 1361169183 /nfs/dbraw/zinc/16/91/83/1361169183.db2.gz KJROCDDAOUYEAQ-INIZCTEOSA-N 1 2 342.487 3.349 20 30 EGEDLO C=C(C)CCC(=O)N1CC2(C[C@H]1C)CCN(c1cc[nH+]c(C)n1)CC2 ZINC001091651777 1361169318 /nfs/dbraw/zinc/16/93/18/1361169318.db2.gz KJROCDDAOUYEAQ-MRXNPFEDSA-N 1 2 342.487 3.349 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)C#CC(C)C)CCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC001091781758 1361218989 /nfs/dbraw/zinc/21/89/89/1361218989.db2.gz MTCKPARAZYKQJE-DLBZAZTESA-N 1 2 342.487 3.041 20 30 EGEDLO C#CCCCCC(=O)N1CCCCC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091913928 1361246141 /nfs/dbraw/zinc/24/61/41/1361246141.db2.gz PAUKBBNZHGSLIU-QGZVFWFLSA-N 1 2 328.460 3.162 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)CC(C)(C)C1 ZINC001092089980 1361299598 /nfs/dbraw/zinc/29/95/98/1361299598.db2.gz XNWBKDMTWBWWSE-SJORKVTESA-N 1 2 344.503 3.499 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001093037587 1361513781 /nfs/dbraw/zinc/51/37/81/1361513781.db2.gz QJCQCETXYOGTES-TVFCKZIOSA-N 1 2 342.487 3.230 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C(C)(C)C3CCCC3)CC2)C1 ZINC001093543622 1361637631 /nfs/dbraw/zinc/63/76/31/1361637631.db2.gz WOFPSJGXVFHPTA-UHFFFAOYSA-N 1 2 348.531 3.471 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CCCC3(C)C)CC2)C1 ZINC001093562543 1361643011 /nfs/dbraw/zinc/64/30/11/1361643011.db2.gz VXIRXAFVICAOPP-GOSISDBHSA-N 1 2 334.504 3.081 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cc(Cl)ccc3C)CC2)C1 ZINC001093584978 1361649705 /nfs/dbraw/zinc/64/97/05/1361649705.db2.gz OKHQNIFTXXHELV-UHFFFAOYSA-N 1 2 348.874 3.140 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(F)c1)C2 ZINC001095128956 1362025394 /nfs/dbraw/zinc/02/53/94/1362025394.db2.gz GIBOWUDITGBGLJ-AABGKKOBSA-N 1 2 349.409 3.233 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(F)c1)C2 ZINC001095128956 1362025395 /nfs/dbraw/zinc/02/53/95/1362025395.db2.gz GIBOWUDITGBGLJ-AABGKKOBSA-N 1 2 349.409 3.233 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095150665 1362033418 /nfs/dbraw/zinc/03/34/18/1362033418.db2.gz PUIBJZGOOYBDNC-WBVHZDCISA-N 1 2 342.487 3.302 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095201505 1362050952 /nfs/dbraw/zinc/05/09/52/1362050952.db2.gz OSXUWPCOLOTRAO-MRXNPFEDSA-N 1 2 342.487 3.303 20 30 EGEDLO C=CCCCC(=O)N1CCCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095202666 1362051420 /nfs/dbraw/zinc/05/14/20/1362051420.db2.gz RGVVRAQZWCVCAB-UHFFFAOYSA-N 1 2 328.460 3.057 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095373237 1362118697 /nfs/dbraw/zinc/11/86/97/1362118697.db2.gz CAMCXMXBHGHJIP-AWEZNQCLSA-N 1 2 344.503 3.337 20 30 EGEDLO C=CCC(CC=C)C(=O)NCCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001095648850 1362196217 /nfs/dbraw/zinc/19/62/17/1362196217.db2.gz SSIFYBVRBKBMQP-UHFFFAOYSA-N 1 2 342.487 3.373 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001095649768 1362196356 /nfs/dbraw/zinc/19/63/56/1362196356.db2.gz ONDQJVASHLVODI-UHFFFAOYSA-N 1 2 332.492 3.453 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001095710960 1362208638 /nfs/dbraw/zinc/20/86/38/1362208638.db2.gz JIKGOMMCTCSWQF-HNNXBMFYSA-N 1 2 330.476 3.207 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001095712521 1362209348 /nfs/dbraw/zinc/20/93/48/1362209348.db2.gz QQFYQAITQJORSS-ZBFHGGJFSA-N 1 2 332.492 3.309 20 30 EGEDLO CC#CCCCC(=O)NCCCN(c1nc(C)[nH+]c(C)c1C)C1CC1 ZINC001096067057 1362364182 /nfs/dbraw/zinc/36/41/82/1362364182.db2.gz QCDWSGPOFVIBFI-UHFFFAOYSA-N 1 2 342.487 3.071 20 30 EGEDLO C=CCCCC(=O)N(C)C1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001096127317 1362397030 /nfs/dbraw/zinc/39/70/30/1362397030.db2.gz ZJAOLTYAHOPADS-UHFFFAOYSA-N 1 2 342.487 3.446 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001096233634 1362446017 /nfs/dbraw/zinc/44/60/17/1362446017.db2.gz YOHUOEHMXPSWMF-APWZRJJASA-N 1 2 330.476 3.089 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CCN(c3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001096383956 1362480578 /nfs/dbraw/zinc/48/05/78/1362480578.db2.gz OFBVVCHYOKWWII-INIZCTEOSA-N 1 2 328.460 3.007 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cc(C)ccc1F)C2 ZINC001096395716 1362486733 /nfs/dbraw/zinc/48/67/33/1362486733.db2.gz XDQPUYKLIOGNDW-PVAVHDDUSA-N 1 2 336.838 3.151 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cc(C)ccc1F)C2 ZINC001096395716 1362486738 /nfs/dbraw/zinc/48/67/38/1362486738.db2.gz XDQPUYKLIOGNDW-PVAVHDDUSA-N 1 2 336.838 3.151 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096471694 1362525064 /nfs/dbraw/zinc/52/50/64/1362525064.db2.gz NUEWVXJXPHMAFZ-ZBFHGGJFSA-N 1 2 330.476 3.206 20 30 EGEDLO Cc1cc(N[C@@H](CNC(=O)C#CC(C)(C)C)C2CC2)nc(C(C)C)[nH+]1 ZINC001096654545 1362618442 /nfs/dbraw/zinc/61/84/42/1362618442.db2.gz QEEGYHVJBQKMDJ-INIZCTEOSA-N 1 2 342.487 3.265 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC[C@@H](CN(C)c2cc[nH+]c(C)n2)C1 ZINC001096873918 1362761083 /nfs/dbraw/zinc/76/10/83/1362761083.db2.gz JTPHBHRBTIGZSG-KRWDZBQOSA-N 1 2 342.487 3.228 20 30 EGEDLO CCc1occc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001097015523 1362811930 /nfs/dbraw/zinc/81/19/30/1362811930.db2.gz KEZJODWJYNWNHD-RLLQIKCJSA-N 1 2 348.446 3.229 20 30 EGEDLO CCc1occc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001097015523 1362811932 /nfs/dbraw/zinc/81/19/32/1362811932.db2.gz KEZJODWJYNWNHD-RLLQIKCJSA-N 1 2 348.446 3.229 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001097097982 1362841981 /nfs/dbraw/zinc/84/19/81/1362841981.db2.gz BUDNKZNHDOSESJ-STXHMFSFSA-N 1 2 342.487 3.325 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097259605 1362904878 /nfs/dbraw/zinc/90/48/78/1362904878.db2.gz XNXFCOJWWBPMNY-GASCZTMLSA-N 1 2 328.460 3.324 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc3ccccc31)C2 ZINC001097471396 1363009227 /nfs/dbraw/zinc/00/92/27/1363009227.db2.gz YAQHQMDXTNHVHH-XWIAVFTESA-N 1 2 341.842 3.322 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc3ccccc31)C2 ZINC001097471396 1363009231 /nfs/dbraw/zinc/00/92/31/1363009231.db2.gz YAQHQMDXTNHVHH-XWIAVFTESA-N 1 2 341.842 3.322 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(C)c(OC)c1)C2 ZINC001097487936 1363016579 /nfs/dbraw/zinc/01/65/79/1363016579.db2.gz LRRPWUYTZMCWQD-ZACQAIPSSA-N 1 2 348.874 3.020 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(C)c(OC)c1)C2 ZINC001097487936 1363016580 /nfs/dbraw/zinc/01/65/80/1363016580.db2.gz LRRPWUYTZMCWQD-ZACQAIPSSA-N 1 2 348.874 3.020 20 30 EGEDLO C=CCC1(C(=O)N2C[C@@H]3CC[C@@H](Nc4cc[nH+]c(C)n4)[C@@H]3C2)CCC1 ZINC001097605736 1363070187 /nfs/dbraw/zinc/07/01/87/1363070187.db2.gz CGZSAHBQCLLSBM-GVDBMIGSSA-N 1 2 340.471 3.180 20 30 EGEDLO CCCCCCCCC(=O)NC[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC001097831680 1363134085 /nfs/dbraw/zinc/13/40/85/1363134085.db2.gz VSTPOLOFWZQQKR-AWEZNQCLSA-N 1 2 346.479 3.031 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@H](C)Nc2cc(C)[nH+]c(C(C)C)n2)cc1 ZINC001098207862 1363256314 /nfs/dbraw/zinc/25/63/14/1363256314.db2.gz VVSSNMGLFDEVBY-HNNXBMFYSA-N 1 2 336.439 3.120 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(F)cc(F)c1)C2 ZINC001098336197 1363302967 /nfs/dbraw/zinc/30/29/67/1363302967.db2.gz UQNZTVHNTNWXNG-KFWWJZLASA-N 1 2 326.774 3.052 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(F)cc(F)c1)C2 ZINC001098336197 1363302971 /nfs/dbraw/zinc/30/29/71/1363302971.db2.gz UQNZTVHNTNWXNG-KFWWJZLASA-N 1 2 326.774 3.052 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001098689533 1363435712 /nfs/dbraw/zinc/43/57/12/1363435712.db2.gz DPPWVDQGCLFJEA-SFHVURJKSA-N 1 2 342.487 3.023 20 30 EGEDLO C#CCCCC(=O)N1CCC[C@@H](N(C)c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001098693457 1363436873 /nfs/dbraw/zinc/43/68/73/1363436873.db2.gz UEYWSYAHQIQKCF-QGZVFWFLSA-N 1 2 342.487 3.139 20 30 EGEDLO C#CCCCCC(=O)NCC[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001099027411 1363582654 /nfs/dbraw/zinc/58/26/54/1363582654.db2.gz QWPBTVZCQQHWAZ-CQSZACIVSA-N 1 2 328.460 3.163 20 30 EGEDLO C=CCCC(=O)NCCC[C@H]1CCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001099831794 1363954268 /nfs/dbraw/zinc/95/42/68/1363954268.db2.gz UVQQLWYSBRELSA-KRWDZBQOSA-N 1 2 342.487 3.494 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCN(CC)c1nc(C)[nH+]c2c1CCCC2 ZINC001100684580 1364217377 /nfs/dbraw/zinc/21/73/77/1364217377.db2.gz ROQMAVHBMZTCDY-INIZCTEOSA-N 1 2 344.503 3.209 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001101033944 1364382607 /nfs/dbraw/zinc/38/26/07/1364382607.db2.gz KDHPVWRLGPOLAZ-HNNXBMFYSA-N 1 2 330.476 3.063 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCCN(CCC)c1nc(C)[nH+]c(C)c1C ZINC001101224038 1364472622 /nfs/dbraw/zinc/47/26/22/1364472622.db2.gz UFOGKRTVKSBLKQ-KBPBESRZSA-N 1 2 332.492 3.193 20 30 EGEDLO CC#CCCCC(=O)N1C[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@@]2(C)C1 ZINC001101333031 1364513419 /nfs/dbraw/zinc/51/34/19/1364513419.db2.gz FQGAXSQUWHIZKA-CDBBLFNESA-N 1 2 343.298 3.279 20 30 EGEDLO CC#CCCCC(=O)N1C[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@@]2(C)C1 ZINC001101333031 1364513421 /nfs/dbraw/zinc/51/34/21/1364513421.db2.gz FQGAXSQUWHIZKA-CDBBLFNESA-N 1 2 343.298 3.279 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCN(c1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001101426239 1364557824 /nfs/dbraw/zinc/55/78/24/1364557824.db2.gz XDUZQESOEJBNKR-HNNXBMFYSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)CC1(C)CCCCC1)c1nccn12 ZINC001101633845 1364663304 /nfs/dbraw/zinc/66/33/04/1364663304.db2.gz HMYWOAXGYFXSAA-INIZCTEOSA-N 1 2 342.487 3.002 20 30 EGEDLO CCCCCCCCOCC(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001102009550 1364810609 /nfs/dbraw/zinc/81/06/09/1364810609.db2.gz ZGEOAHYNKXJVAT-UHFFFAOYSA-N 1 2 336.480 3.032 20 30 EGEDLO Cc1cc(C)c(C(=O)N(C)CCNc2cccc(F)c2C#N)c(C)[nH+]1 ZINC001102061039 1364828685 /nfs/dbraw/zinc/82/86/85/1364828685.db2.gz CKIBZLMASBZXNH-UHFFFAOYSA-N 1 2 340.402 3.202 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC([C@H](C)Nc2cc[nH+]c(C)n2)CC1 ZINC001102067131 1364832564 /nfs/dbraw/zinc/83/25/64/1364832564.db2.gz PCWMAIRYVTYBCD-CABCVRRESA-N 1 2 330.476 3.426 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC([C@H](C)Nc2cc[nH+]c(C)n2)CC1 ZINC001102067189 1364832585 /nfs/dbraw/zinc/83/25/85/1364832585.db2.gz QLDXDFINKOSRTB-HOCLYGCPSA-N 1 2 330.476 3.426 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1C[N@@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001102298544 1364990170 /nfs/dbraw/zinc/99/01/70/1364990170.db2.gz SPZPZKFVQSFXNE-CHWSQXEVSA-N 1 2 341.908 3.337 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1C[N@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001102298544 1364990173 /nfs/dbraw/zinc/99/01/73/1364990173.db2.gz SPZPZKFVQSFXNE-CHWSQXEVSA-N 1 2 341.908 3.337 20 30 EGEDLO C=CCC(C)(C)C(=O)N(C)[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102766655 1365208855 /nfs/dbraw/zinc/20/88/55/1365208855.db2.gz GQMRWYQEDOHKJZ-MRXNPFEDSA-N 1 2 342.487 3.302 20 30 EGEDLO C=C[C@H](CC)CC(=O)N(CC)[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102825235 1365238952 /nfs/dbraw/zinc/23/89/52/1365238952.db2.gz LBAUMHVSBWLWQT-QZTJIDSGSA-N 1 2 344.503 3.431 20 30 EGEDLO C=CCCCC(=O)N(CC)[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102828998 1365241719 /nfs/dbraw/zinc/24/17/19/1365241719.db2.gz HKBFZOBUZWGEMC-QGZVFWFLSA-N 1 2 342.487 3.446 20 30 EGEDLO C=CCCCC(=O)N(CC)[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102828997 1365241768 /nfs/dbraw/zinc/24/17/68/1365241768.db2.gz HKBFZOBUZWGEMC-KRWDZBQOSA-N 1 2 342.487 3.446 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1CCCCN(c2cc[nH+]c(C)n2)C1 ZINC001102877486 1365267548 /nfs/dbraw/zinc/26/75/48/1365267548.db2.gz BLUIBZGKRXQJTH-CQSZACIVSA-N 1 2 336.867 3.039 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCC[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001102941145 1365305654 /nfs/dbraw/zinc/30/56/54/1365305654.db2.gz BCPOJUDVMRIWMC-MRXNPFEDSA-N 1 2 330.476 3.110 20 30 EGEDLO C=CCCO[C@H](C)C(=O)NC[C@@H](CC)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001102983713 1365327510 /nfs/dbraw/zinc/32/75/10/1365327510.db2.gz QHJSRTIQBBYLEN-HZPDHXFCSA-N 1 2 348.491 3.196 20 30 EGEDLO C=C(C)CCC(=O)NCC[C@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001103758299 1365767515 /nfs/dbraw/zinc/76/75/15/1365767515.db2.gz MSUIOBFZTVDDRG-QGZVFWFLSA-N 1 2 330.476 3.233 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCC[C@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001103771147 1365775350 /nfs/dbraw/zinc/77/53/50/1365775350.db2.gz FEVAKAQTGCJXDI-KBXCAEBGSA-N 1 2 344.503 3.479 20 30 EGEDLO C=CC[C@H](C(=O)NC[C@@H](C)CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001103990411 1365862016 /nfs/dbraw/zinc/86/20/16/1365862016.db2.gz DERQTHMRSOSCIA-YJBOKZPZSA-N 1 2 338.455 3.309 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001104159087 1365930501 /nfs/dbraw/zinc/93/05/01/1365930501.db2.gz JBCJBXYBHFVDQB-AWEZNQCLSA-N 1 2 328.460 3.020 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001104209025 1365951857 /nfs/dbraw/zinc/95/18/57/1365951857.db2.gz NMGMFCSAJWIMNY-YJYMSZOUSA-N 1 2 330.476 3.429 20 30 EGEDLO C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)c2noc(C)n2)C1 ZINC001104731739 1366149342 /nfs/dbraw/zinc/14/93/42/1366149342.db2.gz VEDDQVPETAESJT-IIAWOOMASA-N 1 2 348.491 3.116 20 30 EGEDLO Cc1cc(NC[C@H](CC(C)C)NC(=O)C#CC(C)C)nc(C2CC2)[nH+]1 ZINC001104942201 1366233892 /nfs/dbraw/zinc/23/38/92/1366233892.db2.gz XBMODRQBPPUNQN-KRWDZBQOSA-N 1 2 342.487 3.265 20 30 EGEDLO C#CCCCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)[C@H](C)C1 ZINC001105032446 1366285643 /nfs/dbraw/zinc/28/56/43/1366285643.db2.gz AKEVJBUKVBRBEE-NVXWUHKLSA-N 1 2 342.487 3.361 20 30 EGEDLO C#CCCCCC(=O)N1CCCC[C@H]1CCNc1cc[nH+]c(C)n1 ZINC001105062717 1366301097 /nfs/dbraw/zinc/30/10/97/1366301097.db2.gz CWNGFDHJKHCPIE-KRWDZBQOSA-N 1 2 328.460 3.162 20 30 EGEDLO C=C[C@H](CC)CC(=O)N(C)CCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001105536862 1366516709 /nfs/dbraw/zinc/51/67/09/1366516709.db2.gz CYDIVFBTGLSIFY-OAHLLOKOSA-N 1 2 330.476 3.159 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H](C)[C@H](C)C(C)(C)C)CC2)C1 ZINC001105727959 1366587181 /nfs/dbraw/zinc/58/71/81/1366587181.db2.gz IZWPRYADJYDAAM-HOTGVXAUSA-N 1 2 336.520 3.183 20 30 EGEDLO C#CCCCCC(=O)NC/C=C\CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001107161833 1366883338 /nfs/dbraw/zinc/88/33/38/1366883338.db2.gz BDGPIYFQWUAXNG-KTKRTIGZSA-N 1 2 328.460 3.186 20 30 EGEDLO C#CC[C@@H](CC(=O)NC/C=C/CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001107247818 1366903261 /nfs/dbraw/zinc/90/32/61/1366903261.db2.gz CLUDHJVESYVDAP-UCFODXPJSA-N 1 2 348.450 3.067 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001109152853 1366978495 /nfs/dbraw/zinc/97/84/95/1366978495.db2.gz DPRMZGVLFIPWDK-UGFHNGPFSA-N 1 2 333.432 3.105 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001109152853 1366978498 /nfs/dbraw/zinc/97/84/98/1366978498.db2.gz DPRMZGVLFIPWDK-UGFHNGPFSA-N 1 2 333.432 3.105 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(-c3ccccc3)o2)C1 ZINC001189317954 1366987359 /nfs/dbraw/zinc/98/73/59/1366987359.db2.gz GNWRJIDAAJCEAG-QGZVFWFLSA-N 1 2 339.439 3.341 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(-c3ccccc3)o2)C1 ZINC001189317954 1366987364 /nfs/dbraw/zinc/98/73/64/1366987364.db2.gz GNWRJIDAAJCEAG-QGZVFWFLSA-N 1 2 339.439 3.341 20 30 EGEDLO C=CCC1(C(=O)N[C@@H](C)CN(C)c2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001109215836 1367007346 /nfs/dbraw/zinc/00/73/46/1367007346.db2.gz ABDITWAHSLEBSP-HNNXBMFYSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)/C=C/C(C)(C)C)C1 ZINC001189427370 1367019736 /nfs/dbraw/zinc/01/97/36/1367019736.db2.gz IVHKBTTXSRHMFO-CFNZNRNTSA-N 1 2 329.282 3.030 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H](C)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001109224590 1367013309 /nfs/dbraw/zinc/01/33/09/1367013309.db2.gz ACBFJYWXIKZQPS-BEFAXECRSA-N 1 2 332.492 3.452 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)/C=C/C(C)(C)C)C1 ZINC001189427370 1367019731 /nfs/dbraw/zinc/01/97/31/1367019731.db2.gz IVHKBTTXSRHMFO-CFNZNRNTSA-N 1 2 329.282 3.030 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC001109346836 1367075312 /nfs/dbraw/zinc/07/53/12/1367075312.db2.gz NVWJCOFACPMJTG-HOTGVXAUSA-N 1 2 330.476 3.474 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2cnc(Cl)s2)C1 ZINC001189706439 1367092018 /nfs/dbraw/zinc/09/20/18/1367092018.db2.gz MYIZACHBCIDUAD-CYBMUJFWSA-N 1 2 339.892 3.023 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cnc(Cl)s2)C1 ZINC001189706439 1367092024 /nfs/dbraw/zinc/09/20/24/1367092024.db2.gz MYIZACHBCIDUAD-CYBMUJFWSA-N 1 2 339.892 3.023 20 30 EGEDLO C#CCCCCC(=O)N(C)CCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001109408816 1367109218 /nfs/dbraw/zinc/10/92/18/1367109218.db2.gz XMNOYCIMRANBJF-UHFFFAOYSA-N 1 2 330.476 3.362 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@H]2C[N@H+](Cc3ccn(C)n3)C[C@H]21 ZINC001189937298 1367134571 /nfs/dbraw/zinc/13/45/71/1367134571.db2.gz VOZFRWFSDVQDKM-PKOBYXMFSA-N 1 2 346.519 3.203 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(C)n3)C[C@H]21 ZINC001189937298 1367134575 /nfs/dbraw/zinc/13/45/75/1367134575.db2.gz VOZFRWFSDVQDKM-PKOBYXMFSA-N 1 2 346.519 3.203 20 30 EGEDLO C[N@H+](Cc1cc(C(C)(C)C)on1)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190075785 1367166378 /nfs/dbraw/zinc/16/63/78/1367166378.db2.gz FTQRURAVTWFMOG-INIZCTEOSA-N 1 2 345.487 3.054 20 30 EGEDLO C[N@@H+](Cc1cc(C(C)(C)C)on1)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190075785 1367166385 /nfs/dbraw/zinc/16/63/85/1367166385.db2.gz FTQRURAVTWFMOG-INIZCTEOSA-N 1 2 345.487 3.054 20 30 EGEDLO C=C(C)Cc1ccc(C(=O)N2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC001190216143 1367201909 /nfs/dbraw/zinc/20/19/09/1367201909.db2.gz DUJWSOQUWDYJTE-UHFFFAOYSA-N 1 2 349.478 3.201 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@H+](C)Cc2nc(C)cs2)C1 ZINC001190327085 1367227863 /nfs/dbraw/zinc/22/78/63/1367227863.db2.gz AKLKVKHSVNKAEU-MRXNPFEDSA-N 1 2 333.501 3.253 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(C)cs2)C1 ZINC001190327085 1367227866 /nfs/dbraw/zinc/22/78/66/1367227866.db2.gz AKLKVKHSVNKAEU-MRXNPFEDSA-N 1 2 333.501 3.253 20 30 EGEDLO C=C(C)CCC(=O)NC[C@]1(C)C[N@H+]([C@@H](C)c2cccc(F)c2)CCO1 ZINC001107977528 1367228021 /nfs/dbraw/zinc/22/80/21/1367228021.db2.gz NGFFMESTKZXFDC-OXJNMPFZSA-N 1 2 348.462 3.450 20 30 EGEDLO C=C(C)CCC(=O)NC[C@]1(C)C[N@@H+]([C@@H](C)c2cccc(F)c2)CCO1 ZINC001107977528 1367228028 /nfs/dbraw/zinc/22/80/28/1367228028.db2.gz NGFFMESTKZXFDC-OXJNMPFZSA-N 1 2 348.462 3.450 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2nc(C3CC3)no2)C1 ZINC001190387373 1367247422 /nfs/dbraw/zinc/24/74/22/1367247422.db2.gz CLDMSSSBWCTBMK-HIFRSBDPSA-N 1 2 346.475 3.143 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2nc(C3CC3)no2)C1 ZINC001190387373 1367247425 /nfs/dbraw/zinc/24/74/25/1367247425.db2.gz CLDMSSSBWCTBMK-HIFRSBDPSA-N 1 2 346.475 3.143 20 30 EGEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109657396 1367267471 /nfs/dbraw/zinc/26/74/71/1367267471.db2.gz NJYRIPHYWPQNOR-NEWSRXKRSA-N 1 2 341.430 3.275 20 30 EGEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109657396 1367267477 /nfs/dbraw/zinc/26/74/77/1367267477.db2.gz NJYRIPHYWPQNOR-NEWSRXKRSA-N 1 2 341.430 3.275 20 30 EGEDLO C#CCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3ncc(C(C)C)o3)C2)CCC1 ZINC001190604848 1367306643 /nfs/dbraw/zinc/30/66/43/1367306643.db2.gz RYPJXELSSXIGNC-INIZCTEOSA-N 1 2 343.471 3.024 20 30 EGEDLO C#CCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3ncc(C(C)C)o3)C2)CCC1 ZINC001190604848 1367306647 /nfs/dbraw/zinc/30/66/47/1367306647.db2.gz RYPJXELSSXIGNC-INIZCTEOSA-N 1 2 343.471 3.024 20 30 EGEDLO C=CCCCC(=O)NC[C@@]1(C)C[N@H+]([C@@H](C)c2cccc(F)c2)CCO1 ZINC001108173383 1367324277 /nfs/dbraw/zinc/32/42/77/1367324277.db2.gz PMQQSAHMDXDKSO-JXFKEZNVSA-N 1 2 348.462 3.450 20 30 EGEDLO C=CCCCC(=O)NC[C@@]1(C)C[N@@H+]([C@@H](C)c2cccc(F)c2)CCO1 ZINC001108173383 1367324279 /nfs/dbraw/zinc/32/42/79/1367324279.db2.gz PMQQSAHMDXDKSO-JXFKEZNVSA-N 1 2 348.462 3.450 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@]1(C)C[N@H+](Cc2ccsc2)CCO1 ZINC001108246176 1367359105 /nfs/dbraw/zinc/35/91/05/1367359105.db2.gz FLABYQGOJHYMEQ-SFHVURJKSA-N 1 2 336.501 3.058 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@]1(C)C[N@@H+](Cc2ccsc2)CCO1 ZINC001108246176 1367359109 /nfs/dbraw/zinc/35/91/09/1367359109.db2.gz FLABYQGOJHYMEQ-SFHVURJKSA-N 1 2 336.501 3.058 20 30 EGEDLO CC#CCCCC(=O)N[C@H](CNc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001109958335 1367427294 /nfs/dbraw/zinc/42/72/94/1367427294.db2.gz BWGHYCDFZMUKSY-QGZVFWFLSA-N 1 2 340.471 3.163 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@](C)(OC)c1ccccc1)C2 ZINC001109989165 1367447973 /nfs/dbraw/zinc/44/79/73/1367447973.db2.gz DRANAPZIHASLEU-VUHPKUFZSA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@](C)(OC)c1ccccc1)C2 ZINC001109989165 1367447974 /nfs/dbraw/zinc/44/79/74/1367447974.db2.gz DRANAPZIHASLEU-VUHPKUFZSA-N 1 2 348.874 3.022 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@H](CC)C1 ZINC001110033665 1367471574 /nfs/dbraw/zinc/47/15/74/1367471574.db2.gz NXXBFMNVEJLFCC-MSOLQXFVSA-N 1 2 342.487 3.408 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCOc1ccccc1)C2 ZINC001110064672 1367489359 /nfs/dbraw/zinc/48/93/59/1367489359.db2.gz YFNAASJQGYOIHP-NJAFHUGGSA-N 1 2 348.874 3.320 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCOc1ccccc1)C2 ZINC001110064672 1367489361 /nfs/dbraw/zinc/48/93/61/1367489361.db2.gz YFNAASJQGYOIHP-NJAFHUGGSA-N 1 2 348.874 3.320 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccc(OC)cc1)C2 ZINC001110069861 1367491368 /nfs/dbraw/zinc/49/13/68/1367491368.db2.gz CEKJBXCSNBEPTB-NJAFHUGGSA-N 1 2 348.874 3.102 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccc(OC)cc1)C2 ZINC001110069861 1367491370 /nfs/dbraw/zinc/49/13/70/1367491370.db2.gz CEKJBXCSNBEPTB-NJAFHUGGSA-N 1 2 348.874 3.102 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001191868761 1367622349 /nfs/dbraw/zinc/62/23/49/1367622349.db2.gz ZICNMIVNHACRBT-GOEBONIOSA-N 1 2 331.460 3.187 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001191868761 1367622355 /nfs/dbraw/zinc/62/23/55/1367622355.db2.gz ZICNMIVNHACRBT-GOEBONIOSA-N 1 2 331.460 3.187 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCC1(Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001110304564 1367625739 /nfs/dbraw/zinc/62/57/39/1367625739.db2.gz IMYFICYTBHODRQ-CYBMUJFWSA-N 1 2 328.460 3.325 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001191911725 1367634705 /nfs/dbraw/zinc/63/47/05/1367634705.db2.gz JJRULKYYQAKMQB-WMLDXEAASA-N 1 2 331.460 3.187 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001191911725 1367634713 /nfs/dbraw/zinc/63/47/13/1367634713.db2.gz JJRULKYYQAKMQB-WMLDXEAASA-N 1 2 331.460 3.187 20 30 EGEDLO CCC[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110405847 1367695959 /nfs/dbraw/zinc/69/59/59/1367695959.db2.gz OYPXBLMSCIKJRX-AXUOBQJMSA-N 1 2 325.456 3.216 20 30 EGEDLO CCC[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110405847 1367695964 /nfs/dbraw/zinc/69/59/64/1367695964.db2.gz OYPXBLMSCIKJRX-AXUOBQJMSA-N 1 2 325.456 3.216 20 30 EGEDLO C=C[C@H](CC(=O)N[C@@H](C)CN(C)c1cc[nH+]c(C)n1)c1ccccc1 ZINC001108982268 1367700513 /nfs/dbraw/zinc/70/05/13/1367700513.db2.gz YTCFKLPLEFHMDT-DOTOQJQBSA-N 1 2 338.455 3.086 20 30 EGEDLO C=CCCC(=O)N1CC[C@@]2(CCN(c3cc(C)[nH+]c(C(C)C)n3)C2)C1 ZINC001110468675 1367757408 /nfs/dbraw/zinc/75/74/08/1367757408.db2.gz LEDOJJJCWCGKPM-HXUWFJFHSA-N 1 2 342.487 3.303 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001109121163 1367781938 /nfs/dbraw/zinc/78/19/38/1367781938.db2.gz QFJKFPJXTYIDIG-AWEZNQCLSA-N 1 2 330.476 3.206 20 30 EGEDLO O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)c(F)c1 ZINC001110531840 1367813083 /nfs/dbraw/zinc/81/30/83/1367813083.db2.gz POFCBHWWPXHRSO-OLMNPRSZSA-N 1 2 346.833 3.114 20 30 EGEDLO O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)c(F)c1 ZINC001110531840 1367813087 /nfs/dbraw/zinc/81/30/87/1367813087.db2.gz POFCBHWWPXHRSO-OLMNPRSZSA-N 1 2 346.833 3.114 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(Cl)n1 ZINC001110607242 1367869793 /nfs/dbraw/zinc/86/97/93/1367869793.db2.gz KZTPAKAODZQBQI-OAGGEKHMSA-N 1 2 333.863 3.313 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(Cl)n1 ZINC001110607242 1367869796 /nfs/dbraw/zinc/86/97/96/1367869796.db2.gz KZTPAKAODZQBQI-OAGGEKHMSA-N 1 2 333.863 3.313 20 30 EGEDLO Cc1cc(NC[C@H](NC(=O)[C@@H](C)C#N)C2CCCC2)nc(C(C)C)[nH+]1 ZINC001110648233 1367891580 /nfs/dbraw/zinc/89/15/80/1367891580.db2.gz DUKDGCQBSCRSFB-BBRMVZONSA-N 1 2 343.475 3.155 20 30 EGEDLO C#CCC1(C(=O)N[C@@H](CNc2cc[nH+]c(C)n2)C2CCCC2)CCC1 ZINC001110669924 1367908518 /nfs/dbraw/zinc/90/85/18/1367908518.db2.gz FGHFCZLIURLTBQ-KRWDZBQOSA-N 1 2 340.471 3.066 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001110892033 1368067017 /nfs/dbraw/zinc/06/70/17/1368067017.db2.gz JTJDDJGAOJHJAG-INMHGKMJSA-N 1 2 331.460 3.115 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001110892033 1368067021 /nfs/dbraw/zinc/06/70/21/1368067021.db2.gz JTJDDJGAOJHJAG-INMHGKMJSA-N 1 2 331.460 3.115 20 30 EGEDLO C=CCCC1(C(=O)NCC2(C)CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC001110895353 1368069177 /nfs/dbraw/zinc/06/91/77/1368069177.db2.gz DXZHRCDSRAGCNX-UHFFFAOYSA-N 1 2 342.487 3.254 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnc(Cl)c1 ZINC001110925187 1368096905 /nfs/dbraw/zinc/09/69/05/1368096905.db2.gz NFPGFIILLAVELI-ZACQAIPSSA-N 1 2 345.874 3.150 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnc(Cl)c1 ZINC001110925187 1368096912 /nfs/dbraw/zinc/09/69/12/1368096912.db2.gz NFPGFIILLAVELI-ZACQAIPSSA-N 1 2 345.874 3.150 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC001110949309 1368116633 /nfs/dbraw/zinc/11/66/33/1368116633.db2.gz DWPWKFSOWUURHO-LJQANCHMSA-N 1 2 330.476 3.110 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)cn2)CC1 ZINC001110987734 1368135110 /nfs/dbraw/zinc/13/51/10/1368135110.db2.gz CBKQNFJWLPHZCS-KURKYZTESA-N 1 2 343.446 3.189 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)cn2)CC1 ZINC001110987734 1368135112 /nfs/dbraw/zinc/13/51/12/1368135112.db2.gz CBKQNFJWLPHZCS-KURKYZTESA-N 1 2 343.446 3.189 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C(C)(F)F ZINC001111038612 1368146695 /nfs/dbraw/zinc/14/66/95/1368146695.db2.gz HMZYUJIPBNWMLZ-DXEWXGHRSA-N 1 2 347.409 3.071 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C(C)(F)F ZINC001111038612 1368146697 /nfs/dbraw/zinc/14/66/97/1368146697.db2.gz HMZYUJIPBNWMLZ-DXEWXGHRSA-N 1 2 347.409 3.071 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([C@@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001111225586 1368200257 /nfs/dbraw/zinc/20/02/57/1368200257.db2.gz NKRWURIKYSJJJD-RHSMWYFYSA-N 1 2 328.460 3.202 20 30 EGEDLO Cc1cc(NC[C@H]2CN(C(=O)C#CC(C)C)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC001111246298 1368215763 /nfs/dbraw/zinc/21/57/63/1368215763.db2.gz YYUNCMGSALUIHI-RDJZCZTQSA-N 1 2 342.487 3.074 20 30 EGEDLO C=CCC(CC=C)C(=O)N1C[C@@H](C)[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001111251859 1368219421 /nfs/dbraw/zinc/21/94/21/1368219421.db2.gz VJBGHNNXBLYVMC-PBHICJAKSA-N 1 2 328.460 3.060 20 30 EGEDLO C=CCOC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC001194343390 1368238805 /nfs/dbraw/zinc/23/88/05/1368238805.db2.gz QMOMMSDQXPGZQC-UHFFFAOYSA-N 1 2 326.799 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCOc1ccccc1)C2 ZINC001111356275 1368271765 /nfs/dbraw/zinc/27/17/65/1368271765.db2.gz YFNAASJQGYOIHP-NXHRZFHOSA-N 1 2 348.874 3.320 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCOc1ccccc1)C2 ZINC001111356275 1368271768 /nfs/dbraw/zinc/27/17/68/1368271768.db2.gz YFNAASJQGYOIHP-NXHRZFHOSA-N 1 2 348.874 3.320 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H]2CN(c3cc(C)[nH+]c(C4CC4)n3)C[C@H]21 ZINC001111404204 1368299146 /nfs/dbraw/zinc/29/91/46/1368299146.db2.gz BCQKMSUDRUDFQD-DLBZAZTESA-N 1 2 340.471 3.056 20 30 EGEDLO CCCCCCCCOC(=O)N[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC001194752281 1368316467 /nfs/dbraw/zinc/31/64/67/1368316467.db2.gz HDZUEGZSCITRDH-IRXDYDNUSA-N 1 2 326.481 3.326 20 30 EGEDLO CCCCCC(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001194856285 1368335743 /nfs/dbraw/zinc/33/57/43/1368335743.db2.gz OSAPGTMYZCPKJJ-UHFFFAOYSA-N 1 2 330.447 3.292 20 30 EGEDLO CCCCCC(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001194856285 1368335747 /nfs/dbraw/zinc/33/57/47/1368335747.db2.gz OSAPGTMYZCPKJJ-UHFFFAOYSA-N 1 2 330.447 3.292 20 30 EGEDLO Cn1c[nH+]cc1-c1cccc(C(=O)Nc2ccc(C#N)cc2C#N)c1 ZINC001194908119 1368345794 /nfs/dbraw/zinc/34/57/94/1368345794.db2.gz UOWBBDGIMQTJFT-UHFFFAOYSA-N 1 2 327.347 3.083 20 30 EGEDLO CCCCCCCCCOC(=O)NC1CC[NH+](C2COC2)CC1 ZINC001194920547 1368347692 /nfs/dbraw/zinc/34/76/92/1368347692.db2.gz JYNATVFXTMILPL-UHFFFAOYSA-N 1 2 326.481 3.326 20 30 EGEDLO C=CCCC(=O)N1CCC[N@H+](Cc2nsc3ccccc32)CC1 ZINC001195225699 1368403767 /nfs/dbraw/zinc/40/37/67/1368403767.db2.gz IHMDZYFIVLRFHS-UHFFFAOYSA-N 1 2 329.469 3.297 20 30 EGEDLO C=CCCC(=O)N1CCC[N@@H+](Cc2nsc3ccccc32)CC1 ZINC001195225699 1368403768 /nfs/dbraw/zinc/40/37/68/1368403768.db2.gz IHMDZYFIVLRFHS-UHFFFAOYSA-N 1 2 329.469 3.297 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[C@H](CNc2cc[nH+]c(C)n2)CC1 ZINC001111646928 1368410475 /nfs/dbraw/zinc/41/04/75/1368410475.db2.gz YBHSCXHXTFKRQE-BXWFABGCSA-N 1 2 330.476 3.474 20 30 EGEDLO CC(C)(C)/C=C/C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001195355725 1368426670 /nfs/dbraw/zinc/42/66/70/1368426670.db2.gz BXMJQHOBKPLIOF-BQYQJAHWSA-N 1 2 343.446 3.334 20 30 EGEDLO CC(C)(C)/C=C/C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001195355725 1368426676 /nfs/dbraw/zinc/42/66/76/1368426676.db2.gz BXMJQHOBKPLIOF-BQYQJAHWSA-N 1 2 343.446 3.334 20 30 EGEDLO CCC(=CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1)CC ZINC001195480336 1368442914 /nfs/dbraw/zinc/44/29/14/1368442914.db2.gz DDKFTLWNDQNFFV-UHFFFAOYSA-N 1 2 343.446 3.478 20 30 EGEDLO CCC(=CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1)CC ZINC001195480336 1368442917 /nfs/dbraw/zinc/44/29/17/1368442917.db2.gz DDKFTLWNDQNFFV-UHFFFAOYSA-N 1 2 343.446 3.478 20 30 EGEDLO CCC(=CC(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1)CC ZINC001195481476 1368443169 /nfs/dbraw/zinc/44/31/69/1368443169.db2.gz YVPNWYHBTHRDNJ-UHFFFAOYSA-N 1 2 343.446 3.478 20 30 EGEDLO CCC(=CC(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1)CC ZINC001195481476 1368443176 /nfs/dbraw/zinc/44/31/76/1368443176.db2.gz YVPNWYHBTHRDNJ-UHFFFAOYSA-N 1 2 343.446 3.478 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cscn1)C2 ZINC001111760949 1368448934 /nfs/dbraw/zinc/44/89/34/1368448934.db2.gz VSHGRGAMJDWZLV-KSSFIOAISA-N 1 2 333.501 3.216 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cscn1)C2 ZINC001111760949 1368448937 /nfs/dbraw/zinc/44/89/37/1368448937.db2.gz VSHGRGAMJDWZLV-KSSFIOAISA-N 1 2 333.501 3.216 20 30 EGEDLO C#CCCCCC(=O)N1CCC[N@@H+](Cc2cc(O)ccc2Cl)CC1 ZINC001195562187 1368454384 /nfs/dbraw/zinc/45/43/84/1368454384.db2.gz FJXUNWXKOQSKMD-UHFFFAOYSA-N 1 2 348.874 3.274 20 30 EGEDLO C#CCCCCC(=O)N1CCC[N@H+](Cc2cc(O)ccc2Cl)CC1 ZINC001195562187 1368454388 /nfs/dbraw/zinc/45/43/88/1368454388.db2.gz FJXUNWXKOQSKMD-UHFFFAOYSA-N 1 2 348.874 3.274 20 30 EGEDLO CCCCCCC[N@@H+]1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001195907010 1368515020 /nfs/dbraw/zinc/51/50/20/1368515020.db2.gz JLTZVHJEKFCFHJ-CYBMUJFWSA-N 1 2 326.378 3.392 20 30 EGEDLO CCCCCCC[N@H+]1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001195907010 1368515023 /nfs/dbraw/zinc/51/50/23/1368515023.db2.gz JLTZVHJEKFCFHJ-CYBMUJFWSA-N 1 2 326.378 3.392 20 30 EGEDLO CC[C@@H](CC(F)F)C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001196124304 1368552901 /nfs/dbraw/zinc/55/29/01/1368552901.db2.gz NDJAHAUOXAQUAG-HNNXBMFYSA-N 1 2 349.425 3.274 20 30 EGEDLO CC[C@@H](CC(F)F)C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001196124304 1368552903 /nfs/dbraw/zinc/55/29/03/1368552903.db2.gz NDJAHAUOXAQUAG-HNNXBMFYSA-N 1 2 349.425 3.274 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C/C=C\Cc2ccccc2)CC1 ZINC001196215491 1368569504 /nfs/dbraw/zinc/56/95/04/1368569504.db2.gz LGKMOAWDIRYXDZ-WAYWQWQTSA-N 1 2 332.875 3.462 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C/C=C\Cc2ccccc2)CC1 ZINC001196215491 1368569508 /nfs/dbraw/zinc/56/95/08/1368569508.db2.gz LGKMOAWDIRYXDZ-WAYWQWQTSA-N 1 2 332.875 3.462 20 30 EGEDLO C=CC(C)(C)C(=O)N(C)CCCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001112151659 1368683604 /nfs/dbraw/zinc/68/36/04/1368683604.db2.gz RWKPCPVXBRAAHD-UHFFFAOYSA-N 1 2 344.503 3.161 20 30 EGEDLO CC#CCCCC(=O)N(C)CCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001112157425 1368688673 /nfs/dbraw/zinc/68/86/73/1368688673.db2.gz INVNNOZWWIMOKB-UHFFFAOYSA-N 1 2 342.487 3.141 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(F)c(F)c2)CC1 ZINC001196831199 1368693637 /nfs/dbraw/zinc/69/36/37/1368693637.db2.gz PFUVQLOTJVZFHR-LSDHHAIUSA-N 1 2 336.426 3.457 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(F)c(F)c2)CC1 ZINC001196831199 1368693640 /nfs/dbraw/zinc/69/36/40/1368693640.db2.gz PFUVQLOTJVZFHR-LSDHHAIUSA-N 1 2 336.426 3.457 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001196853100 1368698656 /nfs/dbraw/zinc/69/86/56/1368698656.db2.gz GZSMEOWBUMDUBD-CVEARBPZSA-N 1 2 343.446 3.190 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001196853100 1368698661 /nfs/dbraw/zinc/69/86/61/1368698661.db2.gz GZSMEOWBUMDUBD-CVEARBPZSA-N 1 2 343.446 3.190 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001196853102 1368699084 /nfs/dbraw/zinc/69/90/84/1368699084.db2.gz GZSMEOWBUMDUBD-HZPDHXFCSA-N 1 2 343.446 3.190 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001196853102 1368699086 /nfs/dbraw/zinc/69/90/86/1368699086.db2.gz GZSMEOWBUMDUBD-HZPDHXFCSA-N 1 2 343.446 3.190 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001196854874 1368700293 /nfs/dbraw/zinc/70/02/93/1368700293.db2.gz UNSDKBHISRYJKD-CVEARBPZSA-N 1 2 343.446 3.190 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001196854874 1368700296 /nfs/dbraw/zinc/70/02/96/1368700296.db2.gz UNSDKBHISRYJKD-CVEARBPZSA-N 1 2 343.446 3.190 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)CCC1 ZINC001197055192 1368736159 /nfs/dbraw/zinc/73/61/59/1368736159.db2.gz LJZHSJSYHZLABX-UHFFFAOYSA-N 1 2 343.496 3.400 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)CCC1 ZINC001197055192 1368736160 /nfs/dbraw/zinc/73/61/60/1368736160.db2.gz LJZHSJSYHZLABX-UHFFFAOYSA-N 1 2 343.496 3.400 20 30 EGEDLO CCCC1(C(=O)N2CCC[N@H+](Cc3cc(C#N)ccc3F)CC2)CC1 ZINC001197110538 1368746386 /nfs/dbraw/zinc/74/63/86/1368746386.db2.gz JWPRHXQXBYOLIQ-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO CCCC1(C(=O)N2CCC[N@@H+](Cc3cc(C#N)ccc3F)CC2)CC1 ZINC001197110538 1368746391 /nfs/dbraw/zinc/74/63/91/1368746391.db2.gz JWPRHXQXBYOLIQ-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@H](C)[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001112325816 1368767270 /nfs/dbraw/zinc/76/72/70/1368767270.db2.gz WAJKOHLVECEVKF-KBXCAEBGSA-N 1 2 342.487 3.279 20 30 EGEDLO CC#CCCCC(=O)N1C[C@@H](C)[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001112333434 1368771859 /nfs/dbraw/zinc/77/18/59/1368771859.db2.gz FRUJLSAYNIHUEB-WBVHZDCISA-N 1 2 342.487 3.361 20 30 EGEDLO Cc1cc(N2CC[C@H](NC(=O)C#CC(C)C)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC001112476105 1368874556 /nfs/dbraw/zinc/87/45/56/1368874556.db2.gz DZWYJTWKCGWEFD-IRXDYDNUSA-N 1 2 342.487 3.041 20 30 EGEDLO C=CCCCC(=O)N1CCC(CN(CC)c2cc[nH+]c(C)n2)CC1 ZINC001112686737 1368981344 /nfs/dbraw/zinc/98/13/44/1368981344.db2.gz FXYJOGBHKVAGGF-UHFFFAOYSA-N 1 2 330.476 3.206 20 30 EGEDLO C#CCCCCC(=O)NC1CC(CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001112827629 1369030854 /nfs/dbraw/zinc/03/08/54/1369030854.db2.gz PCAFQIZEQSRSJL-UHFFFAOYSA-N 1 2 342.487 3.409 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)C1(C2CC2)CC1)c1ccccc1OC ZINC001198766667 1369109130 /nfs/dbraw/zinc/10/91/30/1369109130.db2.gz FWJNIZUTUNJEES-MRXNPFEDSA-N 1 2 348.874 3.385 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)c1cocc1C)c1ccccc1OC ZINC001198836147 1369126683 /nfs/dbraw/zinc/12/66/83/1369126683.db2.gz ZLXMQLPNSQYRFM-INIZCTEOSA-N 1 2 348.830 3.410 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H](F)C(C)C)c1ccccc1OC ZINC001198843591 1369128373 /nfs/dbraw/zinc/12/83/73/1369128373.db2.gz UFFJJYSXNWCZBJ-GDBMZVCRSA-N 1 2 342.842 3.189 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC[NH+](CCOc2cc(C)cc(C)c2)CC1 ZINC001113229586 1369277149 /nfs/dbraw/zinc/27/71/49/1369277149.db2.gz MQFKJLMCDPJRQM-RTBURBONSA-N 1 2 344.499 3.285 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC001113229768 1369277520 /nfs/dbraw/zinc/27/75/20/1369277520.db2.gz QRHSFTKMJAUMHA-GJZGRUSLSA-N 1 2 336.426 3.110 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC001113229548 1369277686 /nfs/dbraw/zinc/27/76/86/1369277686.db2.gz LZTIHSZHOFIMRK-NVXWUHKLSA-N 1 2 330.472 3.106 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[NH+](Cc2cccc(COC)c2)CC1 ZINC001113247090 1369289517 /nfs/dbraw/zinc/28/95/17/1369289517.db2.gz ZKKKJXSYQKLXSQ-KRWDZBQOSA-N 1 2 330.472 3.080 20 30 EGEDLO CC#CCCCC(=O)N[C@@H](C)[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001113261666 1369298544 /nfs/dbraw/zinc/29/85/44/1369298544.db2.gz HRGATINQLGQQIS-HOTGVXAUSA-N 1 2 330.476 3.407 20 30 EGEDLO CCCCCCCCCNC(=S)NCc1c[nH+]cn1CCOC ZINC001200377398 1369357651 /nfs/dbraw/zinc/35/76/51/1369357651.db2.gz BITPNGNWTMXMBX-UHFFFAOYSA-N 1 2 340.537 3.244 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[NH+](Cc2cccc(OC)c2C)CC1 ZINC001113390439 1369391828 /nfs/dbraw/zinc/39/18/28/1369391828.db2.gz BXTMVMUEYXISHO-UHFFFAOYSA-N 1 2 330.472 3.250 20 30 EGEDLO CC(C)c1cc(N(C)[C@@H](C)CNC(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001113585821 1369504199 /nfs/dbraw/zinc/50/41/99/1369504199.db2.gz OOEZNPLOYYXARB-HNNXBMFYSA-N 1 2 342.487 3.078 20 30 EGEDLO C=CC[C@H](C(=O)N1CC[NH+](Cc2cnccc2C)CC1)c1ccccc1 ZINC001113663163 1369550720 /nfs/dbraw/zinc/55/07/20/1369550720.db2.gz ZHRHNFBETHFLIP-NRFANRHFSA-N 1 2 349.478 3.394 20 30 EGEDLO C=CCO[C@H](C)C(=O)N1CC[NH+](Cc2ccc(CC(C)C)cc2)CC1 ZINC001113712871 1369581791 /nfs/dbraw/zinc/58/17/91/1369581791.db2.gz HCNCGMFZIUZDKO-GOSISDBHSA-N 1 2 344.499 3.120 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001113817580 1369620573 /nfs/dbraw/zinc/62/05/73/1369620573.db2.gz NCVUQQIYCWCLDA-HNNXBMFYSA-N 1 2 332.492 3.452 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)CC[C@H]1C ZINC001114053187 1369706444 /nfs/dbraw/zinc/70/64/44/1369706444.db2.gz WXRBLEGJFFNBCL-CZUORRHYSA-N 1 2 342.487 3.206 20 30 EGEDLO C[N@@H+]1CCc2c(C#N)c(NC(=O)Nc3cccc(F)c3)sc2C1 ZINC001202220267 1369716681 /nfs/dbraw/zinc/71/66/81/1369716681.db2.gz WOQCAUDOKYDFLT-UHFFFAOYSA-N 1 2 330.388 3.391 20 30 EGEDLO C[N@H+]1CCc2c(C#N)c(NC(=O)Nc3cccc(F)c3)sc2C1 ZINC001202220267 1369716683 /nfs/dbraw/zinc/71/66/83/1369716683.db2.gz WOQCAUDOKYDFLT-UHFFFAOYSA-N 1 2 330.388 3.391 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NC1(CNc2cc[nH+]c(C)n2)CCCCC1 ZINC001114176393 1369777137 /nfs/dbraw/zinc/77/71/37/1369777137.db2.gz GNBFAHBKHBBUTR-HUUCEWRRSA-N 1 2 330.476 3.474 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2noc(C(C)C)n2)C12CCC2 ZINC001202979828 1369944945 /nfs/dbraw/zinc/94/49/45/1369944945.db2.gz QDJDYOLLBHBCPN-GJZGRUSLSA-N 1 2 346.475 3.066 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@H]2C1 ZINC001114653860 1370007764 /nfs/dbraw/zinc/00/77/64/1370007764.db2.gz LNRRLDNLXYPOMM-KZNAEPCWSA-N 1 2 342.487 3.089 20 30 EGEDLO C=CCC(CC=C)C(=O)N1C[C@H](CNc2cc[nH+]c(C)n2)C[C@H]1C ZINC001114690512 1370026689 /nfs/dbraw/zinc/02/66/89/1370026689.db2.gz BCKJXTHFXIFAPI-ZBFHGGJFSA-N 1 2 328.460 3.202 20 30 EGEDLO C#CCCCCCC(=O)N1C[C@H](CNc2cc[nH+]c(C)n2)C[C@@H]1C ZINC001114698107 1370034054 /nfs/dbraw/zinc/03/40/54/1370034054.db2.gz WTWPKWAEHZTWON-RDJZCZTQSA-N 1 2 328.460 3.018 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ncc(C(C)C)o4)C[C@H]32)CCC1 ZINC001114783451 1370077850 /nfs/dbraw/zinc/07/78/50/1370077850.db2.gz PYKSRIOBTKYVKB-HWWDLCQESA-N 1 2 343.471 3.091 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ncc(C(C)C)o4)C[C@H]32)CCC1 ZINC001114783451 1370077854 /nfs/dbraw/zinc/07/78/54/1370077854.db2.gz PYKSRIOBTKYVKB-HWWDLCQESA-N 1 2 343.471 3.091 20 30 EGEDLO C=CCCCC(=O)N[C@H]1C[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001114811349 1370093169 /nfs/dbraw/zinc/09/31/69/1370093169.db2.gz ZWNIPGXLDAAKMP-KOMQPUFPSA-N 1 2 328.460 3.325 20 30 EGEDLO N#Cc1cnn2c1ncc(C#N)c2Nc1ccc([NH+]2CCCCC2)cc1 ZINC001203717414 1370232904 /nfs/dbraw/zinc/23/29/04/1370232904.db2.gz BRAQLYKWEUMSNI-UHFFFAOYSA-N 1 2 343.394 3.207 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](CC)C(C)C ZINC001115135672 1370302012 /nfs/dbraw/zinc/30/20/12/1370302012.db2.gz DUFRSMAOVGCAOV-TTZDDIAXSA-N 1 2 343.309 3.014 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](CC)C(C)C ZINC001115135672 1370302017 /nfs/dbraw/zinc/30/20/17/1370302017.db2.gz DUFRSMAOVGCAOV-TTZDDIAXSA-N 1 2 343.309 3.014 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCc3onc(COc4cccnc4)c3C2)cc1 ZINC001203904010 1370308542 /nfs/dbraw/zinc/30/85/42/1370308542.db2.gz PTMDGUONUUXHDH-UHFFFAOYSA-N 1 2 346.390 3.079 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCc3onc(COc4cccnc4)c3C2)cc1 ZINC001203904010 1370308546 /nfs/dbraw/zinc/30/85/46/1370308546.db2.gz PTMDGUONUUXHDH-UHFFFAOYSA-N 1 2 346.390 3.079 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001204438166 1370477905 /nfs/dbraw/zinc/47/79/05/1370477905.db2.gz JCSAHEOOXLMSPH-CQSZACIVSA-N 1 2 326.799 3.356 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001204438166 1370477910 /nfs/dbraw/zinc/47/79/10/1370477910.db2.gz JCSAHEOOXLMSPH-CQSZACIVSA-N 1 2 326.799 3.356 20 30 EGEDLO C#CCCCC(=O)NCC1([NH2+]CC(F)(F)C(F)F)CCCCC1 ZINC001115507953 1370507858 /nfs/dbraw/zinc/50/78/58/1370507858.db2.gz WFPSIMXIHKKYOQ-UHFFFAOYSA-N 1 2 336.373 3.099 20 30 EGEDLO N#Cc1ccccc1O[C@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC001204793546 1370577536 /nfs/dbraw/zinc/57/75/36/1370577536.db2.gz KFPYJZZSPSZKSE-INIZCTEOSA-N 1 2 332.407 3.478 20 30 EGEDLO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC001204793546 1370577540 /nfs/dbraw/zinc/57/75/40/1370577540.db2.gz KFPYJZZSPSZKSE-INIZCTEOSA-N 1 2 332.407 3.478 20 30 EGEDLO C=CCOCCCC(=O)N(C)C[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001115665677 1370647008 /nfs/dbraw/zinc/64/70/08/1370647008.db2.gz ATTDWXZAUASZLR-INIZCTEOSA-N 1 2 348.491 3.150 20 30 EGEDLO Cc1cc(N[C@@H](C)CN(C)C(=O)C#CC(C)(C)C)nc(C(C)C)[nH+]1 ZINC001115714551 1370693837 /nfs/dbraw/zinc/69/38/37/1370693837.db2.gz LDESEPRVSBTQQZ-HNNXBMFYSA-N 1 2 330.476 3.217 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)/C=C\C(C)(C)C)[C@@H]2C1 ZINC001187358230 1388099255 /nfs/dbraw/zinc/09/92/55/1388099255.db2.gz YGBVLULMHUQLHK-BPIHMUFXSA-N 1 2 341.293 3.030 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)/C=C\C(C)(C)C)[C@@H]2C1 ZINC001187358230 1388099256 /nfs/dbraw/zinc/09/92/56/1388099256.db2.gz YGBVLULMHUQLHK-BPIHMUFXSA-N 1 2 341.293 3.030 20 30 EGEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)/C=C\C1CC1 ZINC001206791343 1371168101 /nfs/dbraw/zinc/16/81/01/1371168101.db2.gz UXDOWJJLWNPXNF-LWRVRWKQSA-N 1 2 342.870 3.094 20 30 EGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)/C=C\C1CC1 ZINC001206791343 1371168102 /nfs/dbraw/zinc/16/81/02/1371168102.db2.gz UXDOWJJLWNPXNF-LWRVRWKQSA-N 1 2 342.870 3.094 20 30 EGEDLO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3ncc(F)cc3F)C2)cc1 ZINC001207101205 1371293549 /nfs/dbraw/zinc/29/35/49/1371293549.db2.gz IIDSKMVPGNKACI-INIZCTEOSA-N 1 2 329.350 3.275 20 30 EGEDLO N#Cc1ccc(O[C@H]2CCC[N@H+](Cc3ncc(F)cc3F)C2)cc1 ZINC001207101205 1371293553 /nfs/dbraw/zinc/29/35/53/1371293553.db2.gz IIDSKMVPGNKACI-INIZCTEOSA-N 1 2 329.350 3.275 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C[C@H](C)Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001120613687 1371649096 /nfs/dbraw/zinc/64/90/96/1371649096.db2.gz RYFUORSKAHAAMY-AWEZNQCLSA-N 1 2 342.487 3.279 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001208298650 1371705544 /nfs/dbraw/zinc/70/55/44/1371705544.db2.gz WIQGVMAVQIPCAZ-NVXWUHKLSA-N 1 2 332.492 3.003 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001208298650 1371705546 /nfs/dbraw/zinc/70/55/46/1371705546.db2.gz WIQGVMAVQIPCAZ-NVXWUHKLSA-N 1 2 332.492 3.003 20 30 EGEDLO C=C(C)[C@H](CC(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1)OCC ZINC001120679265 1371705588 /nfs/dbraw/zinc/70/55/88/1371705588.db2.gz OWFXJTOJQPLWMN-SJORKVTESA-N 1 2 336.863 3.184 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001208309489 1371711345 /nfs/dbraw/zinc/71/13/45/1371711345.db2.gz NPGOATHRXGJNCT-CRAIPNDOSA-N 1 2 344.886 3.340 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001208309489 1371711347 /nfs/dbraw/zinc/71/13/47/1371711347.db2.gz NPGOATHRXGJNCT-CRAIPNDOSA-N 1 2 344.886 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)OC2CCCCCC2)C1 ZINC001208550282 1371812853 /nfs/dbraw/zinc/81/28/53/1371812853.db2.gz ACMPYPUDCMPGIH-UKPHBRMFSA-N 1 2 342.911 3.303 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)OC2CCCCCC2)C1 ZINC001208550282 1371812856 /nfs/dbraw/zinc/81/28/56/1371812856.db2.gz ACMPYPUDCMPGIH-UKPHBRMFSA-N 1 2 342.911 3.303 20 30 EGEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(CCC)CCC ZINC001121493182 1371990927 /nfs/dbraw/zinc/99/09/27/1371990927.db2.gz WNGVUNXSJJSHFT-DLBZAZTESA-N 1 2 347.507 3.016 20 30 EGEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(CCC)CCC ZINC001121493182 1371990932 /nfs/dbraw/zinc/99/09/32/1371990932.db2.gz WNGVUNXSJJSHFT-DLBZAZTESA-N 1 2 347.507 3.016 20 30 EGEDLO COC(=O)C1(C#N)CC[NH+](CCc2ccc(Cl)cc2Cl)CC1 ZINC001209083029 1371992278 /nfs/dbraw/zinc/99/22/78/1371992278.db2.gz NBGBWEZOJZBOIZ-UHFFFAOYSA-N 1 2 341.238 3.315 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC001209194287 1372033989 /nfs/dbraw/zinc/03/39/89/1372033989.db2.gz MYRULUYKFOKNQA-HUUCEWRRSA-N 1 2 348.491 3.050 20 30 EGEDLO CCCCN(CC)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC ZINC001121802411 1372085826 /nfs/dbraw/zinc/08/58/26/1372085826.db2.gz XGZNEXRCFDERFO-UHFFFAOYSA-N 1 2 332.496 3.017 20 30 EGEDLO C=CCC[C@H]1CCCN1c1nnc([C@@H]2CCCC[N@@H+]2C)n1CCOC ZINC001122210389 1372202281 /nfs/dbraw/zinc/20/22/81/1372202281.db2.gz JVXFBXVAFJNCAF-IRXDYDNUSA-N 1 2 347.507 3.016 20 30 EGEDLO C=CCC[C@H]1CCCN1c1nnc([C@@H]2CCCC[N@H+]2C)n1CCOC ZINC001122210389 1372202284 /nfs/dbraw/zinc/20/22/84/1372202284.db2.gz JVXFBXVAFJNCAF-IRXDYDNUSA-N 1 2 347.507 3.016 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC001209865007 1372216904 /nfs/dbraw/zinc/21/69/04/1372216904.db2.gz AHEZAYNIQQGTDG-AWEZNQCLSA-N 1 2 348.491 3.050 20 30 EGEDLO N#Cc1nc(Cl)ccc1Nc1ccccc1C[NH+]1CCOCC1 ZINC001209925471 1372232427 /nfs/dbraw/zinc/23/24/27/1372232427.db2.gz YCQLNRMOSWXELW-UHFFFAOYSA-N 1 2 328.803 3.182 20 30 EGEDLO Cc1cc(Cl)nc(Nc2ccccc2C[NH+]2CCOCC2)c1C#N ZINC001209927434 1372232864 /nfs/dbraw/zinc/23/28/64/1372232864.db2.gz TWYKPOSTGVBMQK-UHFFFAOYSA-N 1 2 342.830 3.491 20 30 EGEDLO C#CCCCCC(=O)N1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001123205358 1372397343 /nfs/dbraw/zinc/39/73/43/1372397343.db2.gz ZQPVDIZCGCFMHT-NVXWUHKLSA-N 1 2 340.471 3.257 20 30 EGEDLO N#Cc1ccc(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)o1 ZINC001326460689 1388199124 /nfs/dbraw/zinc/19/91/24/1388199124.db2.gz MMQZBSCORFLQCP-UHFFFAOYSA-N 1 2 349.394 3.266 20 30 EGEDLO C=CCCC(=O)N[C@]12CCC[C@H]1N(c1cc(C)[nH+]c(C(C)C)n1)CC2 ZINC001123386386 1372450703 /nfs/dbraw/zinc/45/07/03/1372450703.db2.gz QRRZCNOPBQRCQL-UZLBHIALSA-N 1 2 342.487 3.492 20 30 EGEDLO C#Cc1cc(Nc2ccc3c(cnn3C(=O)OC(C)(C)C)c2)cc[nH+]1 ZINC001211253496 1372512293 /nfs/dbraw/zinc/51/22/93/1372512293.db2.gz CPUGJLKHRFHRCG-UHFFFAOYSA-N 1 2 334.379 3.361 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)[C@H]1C ZINC001123652793 1372541829 /nfs/dbraw/zinc/54/18/29/1372541829.db2.gz HROFOGVYERMWJI-HOCLYGCPSA-N 1 2 342.487 3.348 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001123867456 1372611921 /nfs/dbraw/zinc/61/19/21/1372611921.db2.gz RIQUJTUYVGQKCD-IRXDYDNUSA-N 1 2 328.460 3.066 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CC[C@H](CNc3cc[nH+]c(C)n3)C2)CC1 ZINC001123867271 1372612112 /nfs/dbraw/zinc/61/21/12/1372612112.db2.gz OUYYTAXJXUVBCI-HOTGVXAUSA-N 1 2 328.460 3.228 20 30 EGEDLO N#C[C@@H]1CC=C(Nc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC001212862436 1372787051 /nfs/dbraw/zinc/78/70/51/1372787051.db2.gz KGCXLGQPXLGLPC-MRXNPFEDSA-N 1 2 327.428 3.017 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C(C)(C)C ZINC001125997155 1372906928 /nfs/dbraw/zinc/90/69/28/1372906928.db2.gz CTVKEMBTPMIEIV-INIZCTEOSA-N 1 2 330.476 3.496 20 30 EGEDLO C=C(C)[C@H](CC(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C(C)(C)C)OCC ZINC001126002514 1372908013 /nfs/dbraw/zinc/90/80/13/1372908013.db2.gz FMBOSKNLRKPZNS-HOTGVXAUSA-N 1 2 348.491 3.099 20 30 EGEDLO C=C(C)[C@H](CC(=O)N[C@H](CNc1cc[nH+]c(C)n1)C(C)(C)C)OCC ZINC001126002516 1372908078 /nfs/dbraw/zinc/90/80/78/1372908078.db2.gz FMBOSKNLRKPZNS-JKSUJKDBSA-N 1 2 348.491 3.099 20 30 EGEDLO CC(C)c1cc(NC2CC(N(C)C(=O)[C@@H](C)C#N)C2)nc(C(C)C)[nH+]1 ZINC001126876075 1373045684 /nfs/dbraw/zinc/04/56/84/1373045684.db2.gz AKEAKBZHEHSGCO-NFOMZHRRSA-N 1 2 343.475 3.284 20 30 EGEDLO Cc1cc(NC2CC(N(C)C(=O)C#CC(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC001126935140 1373053766 /nfs/dbraw/zinc/05/37/66/1373053766.db2.gz BTDRLLQOLJPORK-UHFFFAOYSA-N 1 2 342.487 3.359 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001127761643 1373176379 /nfs/dbraw/zinc/17/63/79/1373176379.db2.gz CSDRZISJPWFKCZ-HXUWFJFHSA-N 1 2 342.487 3.257 20 30 EGEDLO COc1ccc(C[NH+]2CCOCC2)cc1Nc1ccc(C#N)s1 ZINC001215547720 1373211604 /nfs/dbraw/zinc/21/16/04/1373211604.db2.gz PJLCRCZKQQBMAM-UHFFFAOYSA-N 1 2 329.425 3.204 20 30 EGEDLO C=CC(C)(C)CC(=O)NCc1cnn2c1C[N@H+](CCCCCC)CC2 ZINC001128366862 1373257506 /nfs/dbraw/zinc/25/75/06/1373257506.db2.gz MUFSNVAEISUSFU-UHFFFAOYSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CC(C)(C)CC(=O)NCc1cnn2c1C[N@@H+](CCCCCC)CC2 ZINC001128366862 1373257510 /nfs/dbraw/zinc/25/75/10/1373257510.db2.gz MUFSNVAEISUSFU-UHFFFAOYSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)CC3(C)CCCCC3)c2C1 ZINC001128403379 1373262970 /nfs/dbraw/zinc/26/29/70/1373262970.db2.gz BBWADFWQVDLWAK-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)CC3(C)CCCCC3)c2C1 ZINC001128403379 1373262974 /nfs/dbraw/zinc/26/29/74/1373262974.db2.gz BBWADFWQVDLWAK-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@H](F)CC)c2C1 ZINC001128443032 1373268678 /nfs/dbraw/zinc/26/86/78/1373268678.db2.gz KGMLXHKCDBEZAT-MRXNPFEDSA-N 1 2 338.471 3.033 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@H](F)CC)c2C1 ZINC001128443032 1373268683 /nfs/dbraw/zinc/26/86/83/1373268683.db2.gz KGMLXHKCDBEZAT-MRXNPFEDSA-N 1 2 338.471 3.033 20 30 EGEDLO C=CCCCC(=O)NCc1cnn2c1C[N@H+](CC/C=C/CC)CC2 ZINC001128463509 1373272821 /nfs/dbraw/zinc/27/28/21/1373272821.db2.gz LBPCAIIFRAXNMR-FNORWQNLSA-N 1 2 330.476 3.028 20 30 EGEDLO C=CCCCC(=O)NCc1cnn2c1C[N@@H+](CC/C=C/CC)CC2 ZINC001128463509 1373272823 /nfs/dbraw/zinc/27/28/23/1373272823.db2.gz LBPCAIIFRAXNMR-FNORWQNLSA-N 1 2 330.476 3.028 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)CCCC3CCCC3)c2C1 ZINC001128593572 1373295564 /nfs/dbraw/zinc/29/55/64/1373295564.db2.gz GTISSUHWYSSZGU-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)CCCC3CCCC3)c2C1 ZINC001128593572 1373295571 /nfs/dbraw/zinc/29/55/71/1373295571.db2.gz GTISSUHWYSSZGU-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H](CCCC)C(C)C)c2C1 ZINC001128594296 1373295599 /nfs/dbraw/zinc/29/55/99/1373295599.db2.gz WQUDHACEGVFPTC-SFHVURJKSA-N 1 2 346.519 3.353 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H](CCCC)C(C)C)c2C1 ZINC001128594296 1373295602 /nfs/dbraw/zinc/29/56/02/1373295602.db2.gz WQUDHACEGVFPTC-SFHVURJKSA-N 1 2 346.519 3.353 20 30 EGEDLO Cc1cc(C#N)cc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)n1 ZINC001129379175 1373378008 /nfs/dbraw/zinc/37/80/08/1373378008.db2.gz ZQKCBUMKQBHMLE-MRXNPFEDSA-N 1 2 328.803 3.157 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CC(C)(C)CC)C[C@H](C)O2 ZINC001131661610 1373750274 /nfs/dbraw/zinc/75/02/74/1373750274.db2.gz OSTUBDHXNAWIGG-MAUKXSAKSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC(C)(C)CC)C[C@H](C)O2 ZINC001131661610 1373750278 /nfs/dbraw/zinc/75/02/78/1373750278.db2.gz OSTUBDHXNAWIGG-MAUKXSAKSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)C(CC)CC)CC[C@H]1C ZINC001131833702 1373828363 /nfs/dbraw/zinc/82/83/63/1373828363.db2.gz DLNFTMPAFDZPCB-OCCSQVGLSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)C(CC)CC)CC[C@H]1C ZINC001131833702 1373828370 /nfs/dbraw/zinc/82/83/70/1373828370.db2.gz DLNFTMPAFDZPCB-OCCSQVGLSA-N 1 2 331.298 3.300 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001131896945 1375033445 /nfs/dbraw/zinc/03/34/45/1375033445.db2.gz XQIPYPPRDXVFDV-UKRRQHHQSA-N 1 2 336.863 3.481 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC001131896945 1375033452 /nfs/dbraw/zinc/03/34/52/1375033452.db2.gz XQIPYPPRDXVFDV-UKRRQHHQSA-N 1 2 336.863 3.481 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2nc3ccccc3n2C)C1 ZINC001131899053 1375034882 /nfs/dbraw/zinc/03/48/82/1375034882.db2.gz HUCIQGAVHOPXOB-HOTGVXAUSA-N 1 2 340.471 3.009 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2nc3ccccc3n2C)C1 ZINC001131899053 1375034886 /nfs/dbraw/zinc/03/48/86/1375034886.db2.gz HUCIQGAVHOPXOB-HOTGVXAUSA-N 1 2 340.471 3.009 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001132003262 1375093897 /nfs/dbraw/zinc/09/38/97/1375093897.db2.gz RVTLFEZLMBAWIV-YOEHRIQHSA-N 1 2 334.410 3.237 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc(F)ccc2F)C1 ZINC001132003262 1375093900 /nfs/dbraw/zinc/09/39/00/1375093900.db2.gz RVTLFEZLMBAWIV-YOEHRIQHSA-N 1 2 334.410 3.237 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc(F)ccc2F)C1 ZINC001132018486 1375101361 /nfs/dbraw/zinc/10/13/61/1375101361.db2.gz XOEUJNSJMWTYMJ-YOEHRIQHSA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001132018486 1375101365 /nfs/dbraw/zinc/10/13/65/1375101365.db2.gz XOEUJNSJMWTYMJ-YOEHRIQHSA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC001132021064 1375102669 /nfs/dbraw/zinc/10/26/69/1375102669.db2.gz KQTAINARCCQCMP-GDBMZVCRSA-N 1 2 348.874 3.174 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001132021064 1375102674 /nfs/dbraw/zinc/10/26/74/1375102674.db2.gz KQTAINARCCQCMP-GDBMZVCRSA-N 1 2 348.874 3.174 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1cc(F)cc(F)c1 ZINC001132033494 1375108492 /nfs/dbraw/zinc/10/84/92/1375108492.db2.gz GZLDWPDREGDVQR-KBXCAEBGSA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1cc(F)cc(F)c1 ZINC001132033494 1375108496 /nfs/dbraw/zinc/10/84/96/1375108496.db2.gz GZLDWPDREGDVQR-KBXCAEBGSA-N 1 2 348.437 3.483 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2nncc(Cl)c2Cl)C1 ZINC001225687978 1375145091 /nfs/dbraw/zinc/14/50/91/1375145091.db2.gz VGOQFMGGMDTLKI-CYBMUJFWSA-N 1 2 349.221 3.308 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2nncc(Cl)c2Cl)C1 ZINC001225687978 1375145096 /nfs/dbraw/zinc/14/50/96/1375145096.db2.gz VGOQFMGGMDTLKI-CYBMUJFWSA-N 1 2 349.221 3.308 20 30 EGEDLO N#Cc1ccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC001225727291 1375150280 /nfs/dbraw/zinc/15/02/80/1375150280.db2.gz OJOKDFGXGPIMNC-KRWDZBQOSA-N 1 2 342.826 3.491 20 30 EGEDLO N#Cc1ccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC001225727291 1375150285 /nfs/dbraw/zinc/15/02/85/1375150285.db2.gz OJOKDFGXGPIMNC-KRWDZBQOSA-N 1 2 342.826 3.491 20 30 EGEDLO C[C@H](Oc1cccc(/C=N/O)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226114871 1375205229 /nfs/dbraw/zinc/20/52/29/1375205229.db2.gz SKQYHFIOLPAMPI-JLQXUIMWSA-N 1 2 340.423 3.163 20 30 EGEDLO C[C@H](Oc1cccc(/C=N/O)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226114871 1375205234 /nfs/dbraw/zinc/20/52/34/1375205234.db2.gz SKQYHFIOLPAMPI-JLQXUIMWSA-N 1 2 340.423 3.163 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ncc(CC)o2)C1 ZINC001132228429 1375224460 /nfs/dbraw/zinc/22/44/60/1375224460.db2.gz QNBAEBGERULRHL-IRXDYDNUSA-N 1 2 345.487 3.290 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ncc(CC)o2)C1 ZINC001132228429 1375224465 /nfs/dbraw/zinc/22/44/65/1375224465.db2.gz QNBAEBGERULRHL-IRXDYDNUSA-N 1 2 345.487 3.290 20 30 EGEDLO C=C/C(C)=C\CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=C)Br)C1 ZINC001132228948 1375225976 /nfs/dbraw/zinc/22/59/76/1375225976.db2.gz YLFVWYZZTRRDDB-OQULSUTQSA-N 1 2 341.293 3.387 20 30 EGEDLO C=C/C(C)=C\CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=C)Br)C1 ZINC001132228948 1375225978 /nfs/dbraw/zinc/22/59/78/1375225978.db2.gz YLFVWYZZTRRDDB-OQULSUTQSA-N 1 2 341.293 3.387 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2nc(C)cs2)C1 ZINC001132234841 1375228789 /nfs/dbraw/zinc/22/87/89/1375228789.db2.gz FVQZCSNWEIYRBN-HZPDHXFCSA-N 1 2 333.501 3.114 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)cs2)C1 ZINC001132234841 1375228792 /nfs/dbraw/zinc/22/87/92/1375228792.db2.gz FVQZCSNWEIYRBN-HZPDHXFCSA-N 1 2 333.501 3.114 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3ccc(F)cn3)C2)CCC1 ZINC001132283018 1375265090 /nfs/dbraw/zinc/26/50/90/1375265090.db2.gz PZQHRBAZBJQRCO-QAPCUYQASA-N 1 2 345.462 3.436 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3ccc(F)cn3)C2)CCC1 ZINC001132283018 1375265097 /nfs/dbraw/zinc/26/50/97/1375265097.db2.gz PZQHRBAZBJQRCO-QAPCUYQASA-N 1 2 345.462 3.436 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3ncc(C)o3)C2)CC1 ZINC001132291857 1375272098 /nfs/dbraw/zinc/27/20/98/1375272098.db2.gz MWRGLDKPGAGHGW-GDBMZVCRSA-N 1 2 331.460 3.199 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3ncc(C)o3)C2)CC1 ZINC001132291857 1375272102 /nfs/dbraw/zinc/27/21/02/1375272102.db2.gz MWRGLDKPGAGHGW-GDBMZVCRSA-N 1 2 331.460 3.199 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3ccc(F)cn3)C2)CC1 ZINC001132292952 1375274130 /nfs/dbraw/zinc/27/41/30/1375274130.db2.gz WRBWYXFSUVZGEF-MAUKXSAKSA-N 1 2 345.462 3.436 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3ccc(F)cn3)C2)CC1 ZINC001132292952 1375274134 /nfs/dbraw/zinc/27/41/34/1375274134.db2.gz WRBWYXFSUVZGEF-MAUKXSAKSA-N 1 2 345.462 3.436 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnsc1Cl ZINC001226533470 1375277081 /nfs/dbraw/zinc/27/70/81/1375277081.db2.gz ZGBPMNOZOFTYPQ-VXGBXAGGSA-N 1 2 342.896 3.065 20 30 EGEDLO C=C(C)CCC(=O)NC1CC[NH+]([C@@H](C)c2nc(CCCC)no2)CC1 ZINC001227607311 1375452546 /nfs/dbraw/zinc/45/25/46/1375452546.db2.gz OOEADQDYIDXJAF-HNNXBMFYSA-N 1 2 348.491 3.410 20 30 EGEDLO N#CCc1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001132815696 1375578772 /nfs/dbraw/zinc/57/87/72/1375578772.db2.gz RCXHQEBXOMNLLH-LJQANCHMSA-N 1 2 330.391 3.120 20 30 EGEDLO C=CC(C)(C)C(=O)NC1CC[NH+]([C@H](C)c2nc(CCCC)no2)CC1 ZINC001228631388 1375622671 /nfs/dbraw/zinc/62/26/71/1375622671.db2.gz KVVSKVCFUCIYAX-CQSZACIVSA-N 1 2 348.491 3.266 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2ccc3c(c2)C(=O)CCO3)C1 ZINC001229117067 1375767289 /nfs/dbraw/zinc/76/72/89/1375767289.db2.gz KNHWNGJBDSZWKS-SFHVURJKSA-N 1 2 348.402 3.177 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2ccc3c(c2)C(=O)CCO3)C1 ZINC001229117067 1375767294 /nfs/dbraw/zinc/76/72/94/1375767294.db2.gz KNHWNGJBDSZWKS-SFHVURJKSA-N 1 2 348.402 3.177 20 30 EGEDLO CC(C)[C@H](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001231112838 1376205454 /nfs/dbraw/zinc/20/54/54/1376205454.db2.gz FVXSBWORRVFFGC-CRAIPNDOSA-N 1 2 345.462 3.412 20 30 EGEDLO CC(C)[C@H](C)CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001231112838 1376205461 /nfs/dbraw/zinc/20/54/61/1376205461.db2.gz FVXSBWORRVFFGC-CRAIPNDOSA-N 1 2 345.462 3.412 20 30 EGEDLO C=C(C)C[N@@H+](CC)Cc1cccn1S(=O)(=O)c1ccc(C)cc1 ZINC001231501979 1376251856 /nfs/dbraw/zinc/25/18/56/1376251856.db2.gz PNZOOMJSEPCREN-UHFFFAOYSA-N 1 2 332.469 3.432 20 30 EGEDLO C=C(C)C[N@H+](CC)Cc1cccn1S(=O)(=O)c1ccc(C)cc1 ZINC001231501979 1376251867 /nfs/dbraw/zinc/25/18/67/1376251867.db2.gz PNZOOMJSEPCREN-UHFFFAOYSA-N 1 2 332.469 3.432 20 30 EGEDLO CCOc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)ccc1OC(=O)C(C)C ZINC001231560674 1376264633 /nfs/dbraw/zinc/26/46/33/1376264633.db2.gz DZJZTLKWXJYYFC-LJQANCHMSA-N 1 2 330.428 3.382 20 30 EGEDLO CCOc1cc(C[N@H+]2CC[C@](C)(C#N)C2)ccc1OC(=O)C(C)C ZINC001231560674 1376264644 /nfs/dbraw/zinc/26/46/44/1376264644.db2.gz DZJZTLKWXJYYFC-LJQANCHMSA-N 1 2 330.428 3.382 20 30 EGEDLO COc1cc(C#N)ccc1CN1CC[NH+](Cc2ccccc2F)CC1 ZINC001231618290 1376283496 /nfs/dbraw/zinc/28/34/96/1376283496.db2.gz FJUUDXAEWROHNA-UHFFFAOYSA-N 1 2 339.414 3.024 20 30 EGEDLO CN(CCC#N)c1ccc(C[NH+]2CC(Oc3ccc(F)cc3)C2)cc1 ZINC001231820164 1376320635 /nfs/dbraw/zinc/32/06/35/1376320635.db2.gz MICMOZWLZIBQPO-UHFFFAOYSA-N 1 2 339.414 3.439 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)cc1Cl ZINC001232120729 1376405074 /nfs/dbraw/zinc/40/50/74/1376405074.db2.gz XXDZVJUQLTVSRY-KRWDZBQOSA-N 1 2 331.847 3.189 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2C(=O)N2CCCC2)cc1Cl ZINC001232120729 1376405086 /nfs/dbraw/zinc/40/50/86/1376405086.db2.gz XXDZVJUQLTVSRY-KRWDZBQOSA-N 1 2 331.847 3.189 20 30 EGEDLO CC(C)OCc1ncn2c1C[N@H+](Cc1ccc(C#N)s1)CCC2 ZINC001232843682 1376522656 /nfs/dbraw/zinc/52/26/56/1376522656.db2.gz UTRRQMMJDVFMAI-UHFFFAOYSA-N 1 2 330.457 3.147 20 30 EGEDLO CC(C)OCc1ncn2c1C[N@@H+](Cc1ccc(C#N)s1)CCC2 ZINC001232843682 1376522659 /nfs/dbraw/zinc/52/26/59/1376522659.db2.gz UTRRQMMJDVFMAI-UHFFFAOYSA-N 1 2 330.457 3.147 20 30 EGEDLO COc1cccnc1O[C@@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001232892923 1376535159 /nfs/dbraw/zinc/53/51/59/1376535159.db2.gz BFXJDPVIWFVVMO-QGZVFWFLSA-N 1 2 341.386 3.144 20 30 EGEDLO COc1cccnc1O[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001232892923 1376535166 /nfs/dbraw/zinc/53/51/66/1376535166.db2.gz BFXJDPVIWFVVMO-QGZVFWFLSA-N 1 2 341.386 3.144 20 30 EGEDLO CCC1(NC(=O)OC(C)(C)C)C[NH+](Cc2ccc(C#N)cc2C)C1 ZINC001233083342 1376568084 /nfs/dbraw/zinc/56/80/84/1376568084.db2.gz GSBCJSVHURBURU-UHFFFAOYSA-N 1 2 329.444 3.356 20 30 EGEDLO N#Cc1ncc(OC2C[NH+](C(c3ccccc3)c3ccccc3)C2)cn1 ZINC001233708345 1376701512 /nfs/dbraw/zinc/70/15/12/1376701512.db2.gz QWOKEXMLCCOPPX-UHFFFAOYSA-N 1 2 342.402 3.201 20 30 EGEDLO CC[C@H](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001233927088 1376738554 /nfs/dbraw/zinc/73/85/54/1376738554.db2.gz VTPVYWLNEOGYKE-YOEHRIQHSA-N 1 2 331.435 3.166 20 30 EGEDLO CC[C@H](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001233927088 1376738560 /nfs/dbraw/zinc/73/85/60/1376738560.db2.gz VTPVYWLNEOGYKE-YOEHRIQHSA-N 1 2 331.435 3.166 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(F)(F)C(F)F ZINC001135194392 1376965573 /nfs/dbraw/zinc/96/55/73/1376965573.db2.gz UWSLXNNCXJYLGR-OLZOCXBDSA-N 1 2 338.389 3.343 20 30 EGEDLO C=CC1(CC(=O)N[C@H]2CC[N@@H+](Cc3nocc3C)C2)CCCCC1 ZINC001266346797 1377286955 /nfs/dbraw/zinc/28/69/55/1377286955.db2.gz HFEAPHOSXVKXHH-INIZCTEOSA-N 1 2 331.460 3.200 20 30 EGEDLO C=CC1(CC(=O)N[C@H]2CC[N@H+](Cc3nocc3C)C2)CCCCC1 ZINC001266346797 1377286957 /nfs/dbraw/zinc/28/69/57/1377286957.db2.gz HFEAPHOSXVKXHH-INIZCTEOSA-N 1 2 331.460 3.200 20 30 EGEDLO CC(C)(C(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1)C1CC1 ZINC001266606745 1377342921 /nfs/dbraw/zinc/34/29/21/1377342921.db2.gz CAPVDVFWNIJYQE-UHFFFAOYSA-N 1 2 325.456 3.075 20 30 EGEDLO CC(C)(C(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1)C1CC1 ZINC001266606745 1377342925 /nfs/dbraw/zinc/34/29/25/1377342925.db2.gz CAPVDVFWNIJYQE-UHFFFAOYSA-N 1 2 325.456 3.075 20 30 EGEDLO COc1ccc(C#N)cc1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC001136453785 1377394951 /nfs/dbraw/zinc/39/49/51/1377394951.db2.gz WECPFMJOTAPGHA-MRXNPFEDSA-N 1 2 346.390 3.451 20 30 EGEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)Cc1ccsc1 ZINC001267309374 1377439087 /nfs/dbraw/zinc/43/90/87/1377439087.db2.gz KMEYJVZCLDSGQB-UHFFFAOYSA-N 1 2 345.306 3.027 20 30 EGEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)Cc1ccsc1 ZINC001267309374 1377439090 /nfs/dbraw/zinc/43/90/90/1377439090.db2.gz KMEYJVZCLDSGQB-UHFFFAOYSA-N 1 2 345.306 3.027 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(F)ccc(F)c1F)C2 ZINC001137929590 1377646384 /nfs/dbraw/zinc/64/63/84/1377646384.db2.gz VSERWSIIFJSIQN-FZKQIMNGSA-N 1 2 341.373 3.430 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c(F)ccc(F)c1F)C2 ZINC001137929590 1377646389 /nfs/dbraw/zinc/64/63/89/1377646389.db2.gz VSERWSIIFJSIQN-FZKQIMNGSA-N 1 2 341.373 3.430 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1F)C2 ZINC001137938539 1377648985 /nfs/dbraw/zinc/64/89/85/1377648985.db2.gz MBJBCQSMBSQFRE-KBXCAEBGSA-N 1 2 341.373 3.430 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1F)C2 ZINC001137938539 1377648987 /nfs/dbraw/zinc/64/89/87/1377648987.db2.gz MBJBCQSMBSQFRE-KBXCAEBGSA-N 1 2 341.373 3.430 20 30 EGEDLO CN1CCCc2cc(C[NH+]3CC(Oc4ccccc4C#N)C3)ccc21 ZINC001138359035 1377709484 /nfs/dbraw/zinc/70/94/84/1377709484.db2.gz IEKRRXRNILGCKC-UHFFFAOYSA-N 1 2 333.435 3.204 20 30 EGEDLO C#CCOc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC001138555281 1377741565 /nfs/dbraw/zinc/74/15/65/1377741565.db2.gz URRZBCGVYOWZDW-UHFFFAOYSA-N 1 2 338.426 3.156 20 30 EGEDLO C=C(C)COc1ccccc1C[N@@H+]1Cc2ncn(C)c2[C@@H](COC)C1 ZINC001138661664 1377764808 /nfs/dbraw/zinc/76/48/08/1377764808.db2.gz YYYHUDKXBXADPA-QGZVFWFLSA-N 1 2 341.455 3.121 20 30 EGEDLO C=C(C)COc1ccccc1C[N@H+]1Cc2ncn(C)c2[C@@H](COC)C1 ZINC001138661664 1377764810 /nfs/dbraw/zinc/76/48/10/1377764810.db2.gz YYYHUDKXBXADPA-QGZVFWFLSA-N 1 2 341.455 3.121 20 30 EGEDLO N#Cc1ccnc(-c2ccc(C[NH+]3CC(Oc4cccnc4)C3)cc2)c1 ZINC001139407193 1377880081 /nfs/dbraw/zinc/88/00/81/1377880081.db2.gz UKYQENGIIDUUNH-UHFFFAOYSA-N 1 2 342.402 3.278 20 30 EGEDLO C#C[C@H]1CCC[N@@H+](Cc2ccc(F)c(I)c2)C1 ZINC001139513611 1377895275 /nfs/dbraw/zinc/89/52/75/1377895275.db2.gz PAJHJMFTEQUUOX-NSHDSACASA-N 1 2 343.183 3.276 20 30 EGEDLO C#C[C@H]1CCC[N@H+](Cc2ccc(F)c(I)c2)C1 ZINC001139513611 1377895276 /nfs/dbraw/zinc/89/52/76/1377895276.db2.gz PAJHJMFTEQUUOX-NSHDSACASA-N 1 2 343.183 3.276 20 30 EGEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(-c3ccccc3)nc2)CC1 ZINC001139526378 1377897371 /nfs/dbraw/zinc/89/73/71/1377897371.db2.gz UDDCIGJMOILOFL-UHFFFAOYSA-N 1 2 335.407 3.027 20 30 EGEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001139689611 1377935210 /nfs/dbraw/zinc/93/52/10/1377935210.db2.gz QZDNQVWSFOLRRX-UHFFFAOYSA-N 1 2 338.842 3.480 20 30 EGEDLO N#Cc1c(Cl)cccc1C[N@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001139689611 1377935212 /nfs/dbraw/zinc/93/52/12/1377935212.db2.gz QZDNQVWSFOLRRX-UHFFFAOYSA-N 1 2 338.842 3.480 20 30 EGEDLO CCOC[C@H]1C[N@H+](Cc2ccc(C)c(C#N)c2)Cc2c1cnn2CC ZINC001139725017 1377941956 /nfs/dbraw/zinc/94/19/56/1377941956.db2.gz ZGTZOKOATBYATE-GOSISDBHSA-N 1 2 338.455 3.219 20 30 EGEDLO CCOC[C@H]1C[N@@H+](Cc2ccc(C)c(C#N)c2)Cc2c1cnn2CC ZINC001139725017 1377941957 /nfs/dbraw/zinc/94/19/57/1377941957.db2.gz ZGTZOKOATBYATE-GOSISDBHSA-N 1 2 338.455 3.219 20 30 EGEDLO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1csc(Cl)n1)CC2 ZINC001139977141 1377986031 /nfs/dbraw/zinc/98/60/31/1377986031.db2.gz KCDJGGGKFRDISR-MRXNPFEDSA-N 1 2 339.892 3.330 20 30 EGEDLO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1csc(Cl)n1)CC2 ZINC001139977141 1377986034 /nfs/dbraw/zinc/98/60/34/1377986034.db2.gz KCDJGGGKFRDISR-MRXNPFEDSA-N 1 2 339.892 3.330 20 30 EGEDLO N#Cc1ccc(C[NH+](Cc2ccc(C#N)cc2)Cc2ccnnc2)cc1 ZINC001139986191 1377988162 /nfs/dbraw/zinc/98/81/62/1377988162.db2.gz CIBLFTSXXZGRCR-UHFFFAOYSA-N 1 2 339.402 3.422 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140603346 1378095265 /nfs/dbraw/zinc/09/52/65/1378095265.db2.gz KJZPFVKUYCERMX-HNNXBMFYSA-N 1 2 333.819 3.088 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140603346 1378095268 /nfs/dbraw/zinc/09/52/68/1378095268.db2.gz KJZPFVKUYCERMX-HNNXBMFYSA-N 1 2 333.819 3.088 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)C3CCC3)CC2)c1Cl ZINC001140811390 1378148398 /nfs/dbraw/zinc/14/83/98/1378148398.db2.gz RNSMMWMTHPBDNC-UHFFFAOYSA-N 1 2 331.847 3.046 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CCCN(C(=O)C3CCC3)CC2)c1Cl ZINC001140811390 1378148403 /nfs/dbraw/zinc/14/84/03/1378148403.db2.gz RNSMMWMTHPBDNC-UHFFFAOYSA-N 1 2 331.847 3.046 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3cccc(C#N)c3Cl)C[C@@H]21 ZINC001140814918 1378148838 /nfs/dbraw/zinc/14/88/38/1378148838.db2.gz UMKUQSCAFMXLIS-GJZGRUSLSA-N 1 2 347.846 3.263 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3Cl)C[C@@H]21 ZINC001140814918 1378148840 /nfs/dbraw/zinc/14/88/40/1378148840.db2.gz UMKUQSCAFMXLIS-GJZGRUSLSA-N 1 2 347.846 3.263 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(OC)cc2Cl)C1 ZINC001140824122 1378152204 /nfs/dbraw/zinc/15/22/04/1378152204.db2.gz YFRAEQDKVSVAAF-CQSZACIVSA-N 1 2 338.835 3.225 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(OC)cc2Cl)C1 ZINC001140824122 1378152207 /nfs/dbraw/zinc/15/22/07/1378152207.db2.gz YFRAEQDKVSVAAF-CQSZACIVSA-N 1 2 338.835 3.225 20 30 EGEDLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(OC(F)(F)F)c(F)c2)C1 ZINC001140886363 1378169579 /nfs/dbraw/zinc/16/95/79/1378169579.db2.gz WKOREBWURCODON-NSHDSACASA-N 1 2 347.230 3.223 20 30 EGEDLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(OC(F)(F)F)c(F)c2)C1 ZINC001140886363 1378169580 /nfs/dbraw/zinc/16/95/80/1378169580.db2.gz WKOREBWURCODON-NSHDSACASA-N 1 2 347.230 3.223 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cnc(CCCC)[nH]1)C2 ZINC001141069921 1378228879 /nfs/dbraw/zinc/22/88/79/1378228879.db2.gz IPGYDKWEXMPJRH-PKOBYXMFSA-N 1 2 333.476 3.078 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cnc(CCCC)[nH]1)C2 ZINC001141069921 1378228883 /nfs/dbraw/zinc/22/88/83/1378228883.db2.gz IPGYDKWEXMPJRH-PKOBYXMFSA-N 1 2 333.476 3.078 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c[nH]c(CCCC)n1)C2 ZINC001141069921 1378228888 /nfs/dbraw/zinc/22/88/88/1378228888.db2.gz IPGYDKWEXMPJRH-PKOBYXMFSA-N 1 2 333.476 3.078 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c[nH]c(CCCC)n1)C2 ZINC001141069921 1378228889 /nfs/dbraw/zinc/22/88/89/1378228889.db2.gz IPGYDKWEXMPJRH-PKOBYXMFSA-N 1 2 333.476 3.078 20 30 EGEDLO Cc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c(F)c1 ZINC001141195215 1378266005 /nfs/dbraw/zinc/26/60/05/1378266005.db2.gz FUQCECCEBXQMSX-UHFFFAOYSA-N 1 2 327.378 3.467 20 30 EGEDLO N#Cc1ccc(Br)cc1C[N@H+]1C[C@@H]2C(=O)CCC[C@@H]2C1 ZINC001141907552 1378393190 /nfs/dbraw/zinc/39/31/90/1378393190.db2.gz GGIWNGQJZVHEIL-DOMZBBRYSA-N 1 2 333.229 3.122 20 30 EGEDLO N#Cc1ccc(Br)cc1C[N@@H+]1C[C@@H]2C(=O)CCC[C@@H]2C1 ZINC001141907552 1378393194 /nfs/dbraw/zinc/39/31/94/1378393194.db2.gz GGIWNGQJZVHEIL-DOMZBBRYSA-N 1 2 333.229 3.122 20 30 EGEDLO Cc1cccnc1N1CCC[N@H+](Cc2c(F)ccc(C#N)c2F)CC1 ZINC001143171311 1378553243 /nfs/dbraw/zinc/55/32/43/1378553243.db2.gz WSIXMZHXEVESMI-UHFFFAOYSA-N 1 2 342.393 3.252 20 30 EGEDLO Cc1cccnc1N1CCC[N@@H+](Cc2c(F)ccc(C#N)c2F)CC1 ZINC001143171311 1378553248 /nfs/dbraw/zinc/55/32/48/1378553248.db2.gz WSIXMZHXEVESMI-UHFFFAOYSA-N 1 2 342.393 3.252 20 30 EGEDLO COc1cc(O[C@@H]2CC[N@H+](Cc3c(Cl)cccc3C#N)C2)ccn1 ZINC001143731939 1378639325 /nfs/dbraw/zinc/63/93/25/1378639325.db2.gz ISTKPXIREAXUKG-OAHLLOKOSA-N 1 2 343.814 3.269 20 30 EGEDLO COc1cc(O[C@@H]2CC[N@@H+](Cc3c(Cl)cccc3C#N)C2)ccn1 ZINC001143731939 1378639326 /nfs/dbraw/zinc/63/93/26/1378639326.db2.gz ISTKPXIREAXUKG-OAHLLOKOSA-N 1 2 343.814 3.269 20 30 EGEDLO COc1cccc([C@@H]2CSCC[N@@H+]2Cc2ccc(C#N)cn2)c1 ZINC001144169648 1378691685 /nfs/dbraw/zinc/69/16/85/1378691685.db2.gz QAIJHUZTDXTJKG-SFHVURJKSA-N 1 2 325.437 3.252 20 30 EGEDLO COc1cccc([C@@H]2CSCC[N@H+]2Cc2ccc(C#N)cn2)c1 ZINC001144169648 1378691691 /nfs/dbraw/zinc/69/16/91/1378691691.db2.gz QAIJHUZTDXTJKG-SFHVURJKSA-N 1 2 325.437 3.252 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1nnc(C)s1)C2 ZINC001148124775 1379120988 /nfs/dbraw/zinc/12/09/88/1379120988.db2.gz HMHFFPSUZDAWMF-HIFRSBDPSA-N 1 2 348.516 3.044 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1nnc(C)s1)C2 ZINC001148124775 1379120989 /nfs/dbraw/zinc/12/09/89/1379120989.db2.gz HMHFFPSUZDAWMF-HIFRSBDPSA-N 1 2 348.516 3.044 20 30 EGEDLO C=CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1csc(C3CC3)n1)C2 ZINC001148194335 1379131405 /nfs/dbraw/zinc/13/14/05/1379131405.db2.gz VMLDDNYMRJJCDE-UHFFFAOYSA-N 1 2 345.512 3.411 20 30 EGEDLO C=CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1csc(C3CC3)n1)C2 ZINC001148194335 1379131406 /nfs/dbraw/zinc/13/14/06/1379131406.db2.gz VMLDDNYMRJJCDE-UHFFFAOYSA-N 1 2 345.512 3.411 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001150841055 1379620905 /nfs/dbraw/zinc/62/09/05/1379620905.db2.gz BRCKKKFYSBDSTO-AWEZNQCLSA-N 1 2 342.911 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001150841055 1379620906 /nfs/dbraw/zinc/62/09/06/1379620906.db2.gz BRCKKKFYSBDSTO-AWEZNQCLSA-N 1 2 342.911 3.018 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC=CCC1 ZINC001151830495 1379789979 /nfs/dbraw/zinc/78/99/79/1379789979.db2.gz NKCPTPDPBVCYAI-ZIAGYGMSSA-N 1 2 329.282 3.078 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC=CCC1 ZINC001151830495 1379789982 /nfs/dbraw/zinc/78/99/82/1379789982.db2.gz NKCPTPDPBVCYAI-ZIAGYGMSSA-N 1 2 329.282 3.078 20 30 EGEDLO C=C[C@H](C(=O)NCC[NH2+]Cc1ncc(C(C)(C)C)o1)c1ccccc1 ZINC001152003753 1379836389 /nfs/dbraw/zinc/83/63/89/1379836389.db2.gz SQTIFLGPNJJFPB-INIZCTEOSA-N 1 2 341.455 3.148 20 30 EGEDLO N#Cc1ccc(O[C@H]2CCCN(C(=O)c3c[nH]c4cc[nH+]cc43)C2)cc1 ZINC001152977214 1380001631 /nfs/dbraw/zinc/00/16/31/1380001631.db2.gz KTBKIEJIYIGEML-INIZCTEOSA-N 1 2 346.390 3.118 20 30 EGEDLO C=CCC1(C(=O)NCC[NH2+][C@H](C)c2nc(C(C)(C)C)no2)CCCC1 ZINC001153809782 1380133434 /nfs/dbraw/zinc/13/34/34/1380133434.db2.gz YLPFDCGXBVNQGA-CQSZACIVSA-N 1 2 348.491 3.270 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)c2cnc3c(cccc3C(F)(F)F)c2)CC1 ZINC001153818505 1380136332 /nfs/dbraw/zinc/13/63/32/1380136332.db2.gz PIDIFVNCJVUBFL-UHFFFAOYSA-N 1 2 349.356 3.197 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1cocc1C ZINC001154661165 1380326427 /nfs/dbraw/zinc/32/64/27/1380326427.db2.gz MTARFSCXDSMLJE-CQSZACIVSA-N 1 2 343.402 3.239 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1cocc1C ZINC001154661165 1380326429 /nfs/dbraw/zinc/32/64/29/1380326429.db2.gz MTARFSCXDSMLJE-CQSZACIVSA-N 1 2 343.402 3.239 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C1(CC)CCC1 ZINC001154713111 1380337630 /nfs/dbraw/zinc/33/76/30/1380337630.db2.gz ZJFKYNQOWAXQFW-CYBMUJFWSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C1(CC)CCC1 ZINC001154713111 1380337633 /nfs/dbraw/zinc/33/76/33/1380337633.db2.gz ZJFKYNQOWAXQFW-CYBMUJFWSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)[N@H+](CC)CC(=C)Br ZINC001154742891 1380343866 /nfs/dbraw/zinc/34/38/66/1380343866.db2.gz NZXBAZXOWCNJNR-TZMCWYRMSA-N 1 2 331.298 3.324 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)Br ZINC001154742891 1380343867 /nfs/dbraw/zinc/34/38/67/1380343867.db2.gz NZXBAZXOWCNJNR-TZMCWYRMSA-N 1 2 331.298 3.324 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)c2ccc3nc(C(F)(F)F)ccc3c2)CC1 ZINC001154860645 1380366260 /nfs/dbraw/zinc/36/62/60/1380366260.db2.gz IOLTWMJNSHPJOE-UHFFFAOYSA-N 1 2 349.356 3.197 20 30 EGEDLO C=CCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1c(C)nn(C)c1Cl ZINC001154957675 1380381295 /nfs/dbraw/zinc/38/12/95/1380381295.db2.gz MLVBFCGIBOKDNI-CYBMUJFWSA-N 1 2 340.899 3.065 20 30 EGEDLO C=CCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1c(C)nn(C)c1Cl ZINC001154957675 1380381296 /nfs/dbraw/zinc/38/12/96/1380381296.db2.gz MLVBFCGIBOKDNI-CYBMUJFWSA-N 1 2 340.899 3.065 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1csc(C)c1 ZINC001155834043 1380497486 /nfs/dbraw/zinc/49/74/86/1380497486.db2.gz OCALQWGBXJCKQQ-LLVKDONJSA-N 1 2 345.306 3.405 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1csc(C)c1 ZINC001155834043 1380497488 /nfs/dbraw/zinc/49/74/88/1380497488.db2.gz OCALQWGBXJCKQQ-LLVKDONJSA-N 1 2 345.306 3.405 20 30 EGEDLO C#CCN(CC#C)c1[nH+]cnc2c1c(C)c(C)n2Cc1ccccc1 ZINC001157562547 1380966563 /nfs/dbraw/zinc/96/65/63/1380966563.db2.gz RGRPCNURSVOWDE-UHFFFAOYSA-N 1 2 328.419 3.169 20 30 EGEDLO Cc1csc(C[N@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)(C)C)n1 ZINC001157965066 1381083672 /nfs/dbraw/zinc/08/36/72/1381083672.db2.gz MFCAZXJZRSLOIC-MRXNPFEDSA-N 1 2 347.528 3.314 20 30 EGEDLO Cc1csc(C[N@@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)(C)C)n1 ZINC001157965066 1381083674 /nfs/dbraw/zinc/08/36/74/1381083674.db2.gz MFCAZXJZRSLOIC-MRXNPFEDSA-N 1 2 347.528 3.314 20 30 EGEDLO CC#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@H](C)c1ncccn1 ZINC001158357420 1381215746 /nfs/dbraw/zinc/21/57/46/1381215746.db2.gz HGABDHVQQZGZNP-QZTJIDSGSA-N 1 2 342.487 3.044 20 30 EGEDLO CC#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@H](C)c1ncccn1 ZINC001158357420 1381215748 /nfs/dbraw/zinc/21/57/48/1381215748.db2.gz HGABDHVQQZGZNP-QZTJIDSGSA-N 1 2 342.487 3.044 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)[C@H](C)CCC)CC1 ZINC001159606957 1381845172 /nfs/dbraw/zinc/84/51/72/1381845172.db2.gz KFDHBLHKEGKUND-CYBMUJFWSA-N 1 2 343.309 3.470 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)[C@H](C)CCC)CC1 ZINC001159606957 1381845175 /nfs/dbraw/zinc/84/51/75/1381845175.db2.gz KFDHBLHKEGKUND-CYBMUJFWSA-N 1 2 343.309 3.470 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)C2CC(C)C2)CC1 ZINC001159803707 1381906120 /nfs/dbraw/zinc/90/61/20/1381906120.db2.gz JOSRTETUZYWDEV-UHFFFAOYSA-N 1 2 341.293 3.080 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)C2CC(C)C2)CC1 ZINC001159803707 1381906123 /nfs/dbraw/zinc/90/61/23/1381906123.db2.gz JOSRTETUZYWDEV-UHFFFAOYSA-N 1 2 341.293 3.080 20 30 EGEDLO C=CCOc1ccccc1[C@H](C)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC001160178452 1382025768 /nfs/dbraw/zinc/02/57/68/1382025768.db2.gz IUNSSNRAYSOMRO-HNNXBMFYSA-N 1 2 340.427 3.051 20 30 EGEDLO C=CCOc1ccccc1[C@H](C)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC001160178452 1382025770 /nfs/dbraw/zinc/02/57/70/1382025770.db2.gz IUNSSNRAYSOMRO-HNNXBMFYSA-N 1 2 340.427 3.051 20 30 EGEDLO C=C(C)CCC(=O)NCCC1=CC[N@H+]([C@@H](C)c2ncccn2)CC1 ZINC001160264415 1382055341 /nfs/dbraw/zinc/05/53/41/1382055341.db2.gz NMDGULLSDYTXKQ-INIZCTEOSA-N 1 2 328.460 3.032 20 30 EGEDLO C=C(C)CCC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2ncccn2)CC1 ZINC001160264415 1382055346 /nfs/dbraw/zinc/05/53/46/1382055346.db2.gz NMDGULLSDYTXKQ-INIZCTEOSA-N 1 2 328.460 3.032 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)C2(C)CCC2)CC1 ZINC001160876790 1382221625 /nfs/dbraw/zinc/22/16/25/1382221625.db2.gz WOTFOSKNWSARNT-UHFFFAOYSA-N 1 2 341.293 3.224 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)C2(C)CCC2)CC1 ZINC001160876790 1382221627 /nfs/dbraw/zinc/22/16/27/1382221627.db2.gz WOTFOSKNWSARNT-UHFFFAOYSA-N 1 2 341.293 3.224 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@H+](Cc2ccn(C(C)C)n2)CC1 ZINC001160888311 1382225070 /nfs/dbraw/zinc/22/50/70/1382225070.db2.gz MYHDYTJIVPDUPV-UHFFFAOYSA-N 1 2 344.503 3.315 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2ccn(C(C)C)n2)CC1 ZINC001160888311 1382225075 /nfs/dbraw/zinc/22/50/75/1382225075.db2.gz MYHDYTJIVPDUPV-UHFFFAOYSA-N 1 2 344.503 3.315 20 30 EGEDLO Cc1cc(NC2CC[NH+](CC(=O)c3ccccc3)CC2)ncc1C#N ZINC001161143259 1382316897 /nfs/dbraw/zinc/31/68/97/1382316897.db2.gz MHDWJYSFHVMNTK-UHFFFAOYSA-N 1 2 334.423 3.021 20 30 EGEDLO COc1ccc(Cn2c[nH+]cc2CNc2nc(C)c(C)cc2C#N)cc1 ZINC001161508021 1382426434 /nfs/dbraw/zinc/42/64/34/1382426434.db2.gz XFSIAXGIGUASQZ-UHFFFAOYSA-N 1 2 347.422 3.436 20 30 EGEDLO C=C(C)CNc1c2[nH+]c(C)cn2ccc1I ZINC001163376217 1383036533 /nfs/dbraw/zinc/03/65/33/1383036533.db2.gz XTJOZEKKEOAAOJ-UHFFFAOYSA-N 1 2 327.169 3.235 20 30 EGEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NC[C@H]2CCCCO2)[nH+]1 ZINC001164689182 1383218402 /nfs/dbraw/zinc/21/84/02/1383218402.db2.gz FVHPCHVXPLFOAH-OYWLYLSOSA-N 1 2 337.489 3.252 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC[NH2+]Cc1noc(C2CCCCC2)n1 ZINC001165930408 1383366981 /nfs/dbraw/zinc/36/69/81/1383366981.db2.gz XOBXHARXAHUKFX-IBGZPJMESA-N 1 2 348.491 3.316 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC1(C[NH2+]Cc2noc(CCC)n2)CC1 ZINC001166546320 1383436413 /nfs/dbraw/zinc/43/64/13/1383436413.db2.gz UIOPKOMHUOYEDU-UHFFFAOYSA-N 1 2 348.491 3.001 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1(C[NH2+]Cc2noc(C(C)C)n2)CC1 ZINC001167026263 1383522598 /nfs/dbraw/zinc/52/25/98/1383522598.db2.gz XPDFUYLZHWWABZ-SFHVURJKSA-N 1 2 348.491 3.171 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1ccc(C)c(Cl)c1 ZINC001329474928 1389123178 /nfs/dbraw/zinc/12/31/78/1389123178.db2.gz RKZJYNLHIVHLPG-CYBMUJFWSA-N 1 2 329.271 3.380 20 30 EGEDLO N#Cc1cccc2c1CCN2C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC001299662414 1383603898 /nfs/dbraw/zinc/60/38/98/1383603898.db2.gz ADLFYVOQLFJDOB-GOSISDBHSA-N 1 2 342.402 3.393 20 30 EGEDLO N#CC1(c2cc[nH+]c(N[C@@H]3CCCN(C(=O)c4ccccc4)C3)c2)CC1 ZINC001168895066 1384050006 /nfs/dbraw/zinc/05/00/06/1384050006.db2.gz AESVLZHTLNHXEH-GOSISDBHSA-N 1 2 346.434 3.353 20 30 EGEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCn2cc(C(F)(F)F)nc2C1 ZINC001171221618 1384471836 /nfs/dbraw/zinc/47/18/36/1384471836.db2.gz QVQWKVFSBPIMMF-LBPRGKRZSA-N 1 2 334.345 3.220 20 30 EGEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCn2cc(C(F)(F)F)nc2C1 ZINC001171221618 1384471840 /nfs/dbraw/zinc/47/18/40/1384471840.db2.gz QVQWKVFSBPIMMF-LBPRGKRZSA-N 1 2 334.345 3.220 20 30 EGEDLO CCCCCCCCC(=O)NCCC[NH2+]Cc1noc(CCC)n1 ZINC001171822875 1384651282 /nfs/dbraw/zinc/65/12/82/1384651282.db2.gz RBHQFSXXIQQCAD-UHFFFAOYSA-N 1 2 338.496 3.369 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)c2ocnc2CC)CC1 ZINC001317006728 1384769131 /nfs/dbraw/zinc/76/91/31/1384769131.db2.gz RNULKLKZJIWSCV-UHFFFAOYSA-N 1 2 339.867 3.306 20 30 EGEDLO C=CCOC(=O)[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001172368016 1384778632 /nfs/dbraw/zinc/77/86/32/1384778632.db2.gz HUKAPXJOQXZSJH-JJXSEGSLSA-N 1 2 339.476 3.230 20 30 EGEDLO Cc1ccc(C#N)c(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC001174432390 1385108050 /nfs/dbraw/zinc/10/80/50/1385108050.db2.gz PRTDYLMSMNTDNN-UHFFFAOYSA-N 1 2 337.423 3.321 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2F)CC1 ZINC001317467799 1385161660 /nfs/dbraw/zinc/16/16/60/1385161660.db2.gz KJCNRCPDWXOIMX-KOMQPUFPSA-N 1 2 331.435 3.072 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)NCC[N@@H+](C)Cc2ccc(C#N)cc2F)CC1 ZINC001317467799 1385161662 /nfs/dbraw/zinc/16/16/62/1385161662.db2.gz KJCNRCPDWXOIMX-KOMQPUFPSA-N 1 2 331.435 3.072 20 30 EGEDLO COC(=O)c1sc(SC)c(C#N)c1Nc1ccc(N(C)C)[nH+]c1 ZINC001175340135 1385258162 /nfs/dbraw/zinc/25/81/62/1385258162.db2.gz BDBSUWQNNCTNBR-UHFFFAOYSA-N 1 2 348.453 3.333 20 30 EGEDLO COC(=O)c1cc(Nc2c[nH+]c(N)cc2C(F)(F)F)ccc1C#N ZINC001175713838 1385383370 /nfs/dbraw/zinc/38/33/70/1385383370.db2.gz MZOLNJLPPJGCDZ-UHFFFAOYSA-N 1 2 336.273 3.084 20 30 EGEDLO C[C@@H]1CN(c2ccc(Nc3ccc(F)c(C#N)c3)c[nH+]2)C[C@H](C)O1 ZINC001176613931 1385640901 /nfs/dbraw/zinc/64/09/01/1385640901.db2.gz OJKSWOGGGMKAMA-BETUJISGSA-N 1 2 326.375 3.450 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]2OCC[N@@H+](Cc3ccc(C)cc3)[C@@H]2C1 ZINC001177072995 1385794936 /nfs/dbraw/zinc/79/49/36/1385794936.db2.gz MWCZZKBTZIRNRJ-UXHICEINSA-N 1 2 342.483 3.153 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]2OCC[N@H+](Cc3ccc(C)cc3)[C@@H]2C1 ZINC001177072995 1385794942 /nfs/dbraw/zinc/79/49/42/1385794942.db2.gz MWCZZKBTZIRNRJ-UXHICEINSA-N 1 2 342.483 3.153 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCCCCC(C)C)C[C@H]21 ZINC001177100632 1385810805 /nfs/dbraw/zinc/81/08/05/1385810805.db2.gz GZGZTTZUTDETJN-MOPGFXCFSA-N 1 2 336.520 3.471 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCCCCC(C)C)C[C@H]21 ZINC001177100632 1385810809 /nfs/dbraw/zinc/81/08/09/1385810809.db2.gz GZGZTTZUTDETJN-MOPGFXCFSA-N 1 2 336.520 3.471 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]2OCC[N@H+](CC3=CCCCC3)[C@H]2C1 ZINC001177107417 1385814596 /nfs/dbraw/zinc/81/45/96/1385814596.db2.gz RJQJGXWIFHAHRB-OALUTQOASA-N 1 2 346.515 3.391 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]2OCC[N@@H+](CC3=CCCCC3)[C@H]2C1 ZINC001177107417 1385814602 /nfs/dbraw/zinc/81/46/02/1385814602.db2.gz RJQJGXWIFHAHRB-OALUTQOASA-N 1 2 346.515 3.391 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]([NH2+]Cc2nc(CCC(C)C)no2)[C@@H]1C ZINC001179451707 1386484712 /nfs/dbraw/zinc/48/47/12/1386484712.db2.gz DLWDBNKJIHYDPA-HOTGVXAUSA-N 1 2 348.491 3.094 20 30 EGEDLO N#C[C@@H]1CC[C@H]([NH2+]Cc2noc(-c3cccc(Br)c3)n2)C1 ZINC001321219293 1386844896 /nfs/dbraw/zinc/84/48/96/1386844896.db2.gz AZVAZANGGSZLDF-MFKMUULPSA-N 1 2 347.216 3.281 20 30 EGEDLO N#C[C@@H]1CC[C@@H]([NH2+]Cc2noc(-c3cccc(Br)c3)n2)C1 ZINC001321219294 1386845565 /nfs/dbraw/zinc/84/55/65/1386845565.db2.gz AZVAZANGGSZLDF-ZWNOBZJWSA-N 1 2 347.216 3.281 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ncoc1-c1ccccc1 ZINC001322169825 1387087197 /nfs/dbraw/zinc/08/71/97/1387087197.db2.gz SYEGSOOTBQURPJ-ZDUSSCGKSA-N 1 2 333.819 3.144 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ncoc1-c1ccccc1 ZINC001322169825 1387087200 /nfs/dbraw/zinc/08/72/00/1387087200.db2.gz SYEGSOOTBQURPJ-ZDUSSCGKSA-N 1 2 333.819 3.144 20 30 EGEDLO C#Cc1cc(NC(=O)[C@@H](c2ccccc2Cl)[NH+](CC)CC)ccn1 ZINC001182217503 1387123213 /nfs/dbraw/zinc/12/32/13/1387123213.db2.gz AFDSTAKHEALEMG-GOSISDBHSA-N 1 2 341.842 3.160 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1ccc(C)c(Cl)c1 ZINC001329474928 1389123175 /nfs/dbraw/zinc/12/31/75/1389123175.db2.gz RKZJYNLHIVHLPG-CYBMUJFWSA-N 1 2 329.271 3.380 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2cc(F)c(C)cc2F)C1 ZINC001330031239 1389289002 /nfs/dbraw/zinc/28/90/02/1389289002.db2.gz KCTHNOWWIFLERJ-GFCCVEGCSA-N 1 2 342.817 3.005 20 30 EGEDLO C=C(C)CN(CC)c1nnc([C@@H](C)[N@H+](C)Cc2ccccc2)n1C ZINC001338151303 1389562237 /nfs/dbraw/zinc/56/22/37/1389562237.db2.gz GJILWLDBOUBGDR-MRXNPFEDSA-N 1 2 327.476 3.411 20 30 EGEDLO C=C(C)CN(CC)c1nnc([C@@H](C)[N@@H+](C)Cc2ccccc2)n1C ZINC001338151303 1389562239 /nfs/dbraw/zinc/56/22/39/1389562239.db2.gz GJILWLDBOUBGDR-MRXNPFEDSA-N 1 2 327.476 3.411 20 30 EGEDLO CCN(CCC1CC1)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC ZINC001340909221 1390402311 /nfs/dbraw/zinc/40/23/11/1390402311.db2.gz FEHXARBLKXBDOQ-UHFFFAOYSA-N 1 2 344.507 3.017 20 30 EGEDLO C=CCC[C@H]1CCCN1c1nnc(Cc2[nH+]ccn2C)n1CC(=C)C ZINC001341755067 1390525544 /nfs/dbraw/zinc/52/55/44/1390525544.db2.gz ACNHVWJVGCJIKZ-INIZCTEOSA-N 1 2 340.475 3.114 20 30 EGEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1Cc2ccccc2C1 ZINC001342234657 1390588881 /nfs/dbraw/zinc/58/88/81/1390588881.db2.gz XNTGFKGNQHSVOQ-UHFFFAOYSA-N 1 2 337.471 3.360 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC(OC(C)C)CC1 ZINC001343555178 1390722422 /nfs/dbraw/zinc/72/24/22/1390722422.db2.gz WPUNFLCVKZBELU-KRWDZBQOSA-N 1 2 347.507 3.015 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC(OC(C)C)CC1 ZINC001343555178 1390722423 /nfs/dbraw/zinc/72/24/23/1390722423.db2.gz WPUNFLCVKZBELU-KRWDZBQOSA-N 1 2 347.507 3.015 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)CCc1[nH+]ccn1C ZINC001346470875 1390943352 /nfs/dbraw/zinc/94/33/52/1390943352.db2.gz FOOFIUIVYVASMW-CYBMUJFWSA-N 1 2 328.441 3.386 20 30 EGEDLO C[C@H](CC(=O)[C@H](C#N)c1nc2c(cccc2Cl)[nH]1)n1cc[nH+]c1 ZINC001347392714 1391067627 /nfs/dbraw/zinc/06/76/27/1391067627.db2.gz XXIKHYIBDQDQIV-MNOVXSKESA-N 1 2 327.775 3.240 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CC[N@@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC001479961780 1392497341 /nfs/dbraw/zinc/49/73/41/1392497341.db2.gz LJXYSSLQGAHMIG-AWEZNQCLSA-N 1 2 335.517 3.487 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CC[N@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC001479961780 1392497344 /nfs/dbraw/zinc/49/73/44/1392497344.db2.gz LJXYSSLQGAHMIG-AWEZNQCLSA-N 1 2 335.517 3.487 20 30 EGEDLO CCC[C@@H](CC)C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001479967287 1392502962 /nfs/dbraw/zinc/50/29/62/1392502962.db2.gz WZMVYTQEXMDOLZ-NVXWUHKLSA-N 1 2 331.435 3.214 20 30 EGEDLO CCC[C@@H](CC)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001479967287 1392502965 /nfs/dbraw/zinc/50/29/65/1392502965.db2.gz WZMVYTQEXMDOLZ-NVXWUHKLSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc(-c2ccccc2)no1)C1CC1 ZINC001481177642 1393142475 /nfs/dbraw/zinc/14/24/75/1393142475.db2.gz DTZQMAOIONFJEJ-UHFFFAOYSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc(-c2ccccc2)no1)C1CC1 ZINC001481177642 1393142476 /nfs/dbraw/zinc/14/24/76/1393142476.db2.gz DTZQMAOIONFJEJ-UHFFFAOYSA-N 1 2 345.830 3.288 20 30 EGEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)[C@@H]1CC12CCCC2)C1CC1 ZINC001481193259 1393147202 /nfs/dbraw/zinc/14/72/02/1393147202.db2.gz ONYAPPMHACWSIT-IBGZPJMESA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@H+](CCNC(=O)[C@@H]1CC12CCCC2)C1CC1 ZINC001481193259 1393147203 /nfs/dbraw/zinc/14/72/03/1393147203.db2.gz ONYAPPMHACWSIT-IBGZPJMESA-N 1 2 337.467 3.219 20 30 EGEDLO CCCC1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001494288542 1396418930 /nfs/dbraw/zinc/41/89/30/1396418930.db2.gz RKKMTDNAPVSLEP-QGZVFWFLSA-N 1 2 343.446 3.358 20 30 EGEDLO CCCC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001494288542 1396418931 /nfs/dbraw/zinc/41/89/31/1396418931.db2.gz RKKMTDNAPVSLEP-QGZVFWFLSA-N 1 2 343.446 3.358 20 30 EGEDLO C[C@H](c1ccc(Cl)c(Cl)c1)[NH+]1CC(CNC(=O)[C@@H](C)C#N)C1 ZINC001494537520 1396460756 /nfs/dbraw/zinc/46/07/56/1396460756.db2.gz FUQYHUTVTCFUAP-WDEREUQCSA-N 1 2 340.254 3.262 20 30 EGEDLO CCC[C@@H](CC)C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001494606967 1396485647 /nfs/dbraw/zinc/48/56/47/1396485647.db2.gz PIXICDIKISPQOA-MRXNPFEDSA-N 1 2 331.435 3.072 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cnc(C(C)(C)C)s1 ZINC001498456781 1397002476 /nfs/dbraw/zinc/00/24/76/1397002476.db2.gz PGOONMKZMBDQLM-NSHDSACASA-N 1 2 329.897 3.243 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cnc(C(C)(C)C)s1 ZINC001498456781 1397002487 /nfs/dbraw/zinc/00/24/87/1397002487.db2.gz PGOONMKZMBDQLM-NSHDSACASA-N 1 2 329.897 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H](c2cccnc2)C(C)C)C1 ZINC001690048456 1404281723 /nfs/dbraw/zinc/28/17/23/1404281723.db2.gz SKNYRIIYDFREHR-IRXDYDNUSA-N 1 2 335.879 3.154 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H](c2cccnc2)C(C)C)C1 ZINC001690048456 1404281731 /nfs/dbraw/zinc/28/17/31/1404281731.db2.gz SKNYRIIYDFREHR-IRXDYDNUSA-N 1 2 335.879 3.154 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)Cc1ccccc1Cl)C1CC1 ZINC001691235438 1405175522 /nfs/dbraw/zinc/17/55/22/1405175522.db2.gz XLHONMLWIFYXGN-UHFFFAOYSA-N 1 2 327.255 3.216 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cc1ccccc1Cl)C1CC1 ZINC001691235438 1405175523 /nfs/dbraw/zinc/17/55/23/1405175523.db2.gz XLHONMLWIFYXGN-UHFFFAOYSA-N 1 2 327.255 3.216 20 30 EGEDLO CC(C)C(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001692138370 1405792915 /nfs/dbraw/zinc/79/29/15/1405792915.db2.gz VNVGHHZIXPYZDS-KRWDZBQOSA-N 1 2 345.462 3.460 20 30 EGEDLO CC(C)C(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001692138370 1405792918 /nfs/dbraw/zinc/79/29/18/1405792918.db2.gz VNVGHHZIXPYZDS-KRWDZBQOSA-N 1 2 345.462 3.460 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)COc2ccc(C)cc2)C1 ZINC001732189614 1428441339 /nfs/dbraw/zinc/44/13/39/1428441339.db2.gz KQLNPFZKOZNTRR-MRXNPFEDSA-N 1 2 336.863 3.049 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)COc2ccc(C)cc2)C1 ZINC001732189614 1428441341 /nfs/dbraw/zinc/44/13/41/1428441341.db2.gz KQLNPFZKOZNTRR-MRXNPFEDSA-N 1 2 336.863 3.049 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1cccc(C)c1Cl ZINC001699458111 1412805105 /nfs/dbraw/zinc/80/51/05/1412805105.db2.gz KBYRRZXSQBRYLA-CYBMUJFWSA-N 1 2 329.271 3.380 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1cccc(C)c1Cl ZINC001699458111 1412805112 /nfs/dbraw/zinc/80/51/12/1412805112.db2.gz KBYRRZXSQBRYLA-CYBMUJFWSA-N 1 2 329.271 3.380 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cc(Cl)ccc1OC ZINC001700485634 1414130663 /nfs/dbraw/zinc/13/06/63/1414130663.db2.gz NGEJFDDQXDBFMK-LLVKDONJSA-N 1 2 331.243 3.151 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cc(Cl)ccc1OC ZINC001700485634 1414130669 /nfs/dbraw/zinc/13/06/69/1414130669.db2.gz NGEJFDDQXDBFMK-LLVKDONJSA-N 1 2 331.243 3.151 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1c[nH]nc1C1CCCCC1 ZINC001713496310 1418206348 /nfs/dbraw/zinc/20/63/48/1418206348.db2.gz QNVMVPJYUAKXJI-UHFFFAOYSA-N 1 2 338.883 3.262 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1c[nH]nc1C1CCCCC1 ZINC001713496310 1418206357 /nfs/dbraw/zinc/20/63/57/1418206357.db2.gz QNVMVPJYUAKXJI-UHFFFAOYSA-N 1 2 338.883 3.262 20 30 EGEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)[C@@H](C)C(C)(C)C ZINC001713547722 1418320442 /nfs/dbraw/zinc/32/04/42/1418320442.db2.gz HPNJCOKEIFZXJS-CYBMUJFWSA-N 1 2 333.314 3.405 20 30 EGEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)[C@@H](C)C(C)(C)C ZINC001713547722 1418320447 /nfs/dbraw/zinc/32/04/47/1418320447.db2.gz HPNJCOKEIFZXJS-CYBMUJFWSA-N 1 2 333.314 3.405 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H](C)c1c(F)cccc1F)C1CC1 ZINC001713560183 1418359672 /nfs/dbraw/zinc/35/96/72/1418359672.db2.gz YHTHSKJQMYFAQX-GFCCVEGCSA-N 1 2 342.817 3.401 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H](C)c1c(F)cccc1F)C1CC1 ZINC001713560183 1418359675 /nfs/dbraw/zinc/35/96/75/1418359675.db2.gz YHTHSKJQMYFAQX-GFCCVEGCSA-N 1 2 342.817 3.401 20 30 EGEDLO Cc1cc(C)cc(CCC(=O)NCC[N@@H+](C)Cc2ccccc2C#N)c1 ZINC001714566512 1419295552 /nfs/dbraw/zinc/29/55/52/1419295552.db2.gz RAXXPOCNYUEBPD-UHFFFAOYSA-N 1 2 349.478 3.356 20 30 EGEDLO Cc1cc(C)cc(CCC(=O)NCC[N@H+](C)Cc2ccccc2C#N)c1 ZINC001714566512 1419295554 /nfs/dbraw/zinc/29/55/54/1419295554.db2.gz RAXXPOCNYUEBPD-UHFFFAOYSA-N 1 2 349.478 3.356 20 30 EGEDLO Cc1cccc2oc(C(=O)NCC[N@@H+](C)Cc3ccccc3C#N)cc21 ZINC001714572324 1419305834 /nfs/dbraw/zinc/30/58/34/1419305834.db2.gz OKXRZXYQYPUFBC-UHFFFAOYSA-N 1 2 347.418 3.475 20 30 EGEDLO Cc1cccc2oc(C(=O)NCC[N@H+](C)Cc3ccccc3C#N)cc21 ZINC001714572324 1419305839 /nfs/dbraw/zinc/30/58/39/1419305839.db2.gz OKXRZXYQYPUFBC-UHFFFAOYSA-N 1 2 347.418 3.475 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2(CC)CC2)C[C@@H]1C ZINC001724995053 1425400136 /nfs/dbraw/zinc/40/01/36/1425400136.db2.gz JFKFICQOAGPRNQ-STQMWFEESA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2(CC)CC2)C[C@@H]1C ZINC001724995053 1425400139 /nfs/dbraw/zinc/40/01/39/1425400139.db2.gz JFKFICQOAGPRNQ-STQMWFEESA-N 1 2 329.282 3.054 20 30 EGEDLO O=C(C#CC1CC1)N[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC001731371670 1427300377 /nfs/dbraw/zinc/30/03/77/1427300377.db2.gz QMVYLPBIPSCZDT-MRXNPFEDSA-N 1 2 337.250 3.097 20 30 EGEDLO O=C(C#CC1CC1)N[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC001731371670 1427300378 /nfs/dbraw/zinc/30/03/78/1427300378.db2.gz QMVYLPBIPSCZDT-MRXNPFEDSA-N 1 2 337.250 3.097 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cncc(-c2ccccc2)c1 ZINC001731772493 1427885500 /nfs/dbraw/zinc/88/55/00/1427885500.db2.gz JPRQDMYGNAPACQ-UHFFFAOYSA-N 1 2 329.831 3.163 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cncc(-c2ccccc2)c1 ZINC001731772493 1427885509 /nfs/dbraw/zinc/88/55/09/1427885509.db2.gz JPRQDMYGNAPACQ-UHFFFAOYSA-N 1 2 329.831 3.163 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1snc(Cl)c1Cl ZINC001734040179 1437828344 /nfs/dbraw/zinc/82/83/44/1437828344.db2.gz ZGMJYZLMMOUFIU-ZETCQYMHSA-N 1 2 342.679 3.253 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1snc(Cl)c1Cl ZINC001734040179 1437828346 /nfs/dbraw/zinc/82/83/46/1437828346.db2.gz ZGMJYZLMMOUFIU-ZETCQYMHSA-N 1 2 342.679 3.253 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)[NH2+][C@H](C)c2nnc(CC)o2)CCCCC1 ZINC001752921557 1440248665 /nfs/dbraw/zinc/24/86/65/1440248665.db2.gz UEHGQMRVQLSZPQ-HUUCEWRRSA-N 1 2 348.491 3.314 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C(C)(C)c1ccc(Cl)cc1 ZINC001753062476 1440284145 /nfs/dbraw/zinc/28/41/45/1440284145.db2.gz INRCTQPQAOCQSK-UHFFFAOYSA-N 1 2 329.271 3.418 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C(C)(C)c1ccc(Cl)cc1 ZINC001753062476 1440284146 /nfs/dbraw/zinc/28/41/46/1440284146.db2.gz INRCTQPQAOCQSK-UHFFFAOYSA-N 1 2 329.271 3.418 20 30 EGEDLO CCC[C@@](C)(CC)C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001753068838 1440286905 /nfs/dbraw/zinc/28/69/05/1440286905.db2.gz UFILWSBBVDQULA-LJQANCHMSA-N 1 2 333.451 3.462 20 30 EGEDLO CCC[C@@](C)(CC)C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001753068838 1440286906 /nfs/dbraw/zinc/28/69/06/1440286906.db2.gz UFILWSBBVDQULA-LJQANCHMSA-N 1 2 333.451 3.462 20 30 EGEDLO CCC[C@](C)(CC)C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001753068837 1440286908 /nfs/dbraw/zinc/28/69/08/1440286908.db2.gz UFILWSBBVDQULA-IBGZPJMESA-N 1 2 333.451 3.462 20 30 EGEDLO CCC[C@](C)(CC)C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001753068837 1440286909 /nfs/dbraw/zinc/28/69/09/1440286909.db2.gz UFILWSBBVDQULA-IBGZPJMESA-N 1 2 333.451 3.462 20 30 EGEDLO C[C@H]1CC(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)C[C@H](C)C1 ZINC001753075093 1440290719 /nfs/dbraw/zinc/29/07/19/1440290719.db2.gz ZFBDMDZWSZERMJ-HZPDHXFCSA-N 1 2 327.472 3.179 20 30 EGEDLO C[C@H]1CC(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)C[C@H](C)C1 ZINC001753075093 1440290720 /nfs/dbraw/zinc/29/07/20/1440290720.db2.gz ZFBDMDZWSZERMJ-HZPDHXFCSA-N 1 2 327.472 3.179 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(CCCCC)n[nH]1 ZINC001753114699 1440310500 /nfs/dbraw/zinc/31/05/00/1440310500.db2.gz YZFRENHTJWSGLD-OAHLLOKOSA-N 1 2 338.883 3.089 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(CCCCC)n[nH]1 ZINC001753114699 1440310501 /nfs/dbraw/zinc/31/05/01/1440310501.db2.gz YZFRENHTJWSGLD-OAHLLOKOSA-N 1 2 338.883 3.089 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)NCC[N@H+](Cc1cc(F)ccc1C#N)C1CC1 ZINC001753158786 1440332549 /nfs/dbraw/zinc/33/25/49/1440332549.db2.gz GJUVFSIZMKFFET-AUUYWEPGSA-N 1 2 343.446 3.214 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)NCC[N@@H+](Cc1cc(F)ccc1C#N)C1CC1 ZINC001753158786 1440332550 /nfs/dbraw/zinc/33/25/50/1440332550.db2.gz GJUVFSIZMKFFET-AUUYWEPGSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C1CC(C)(C(=O)NCC[N@H+](Cc2cc(C#N)ccc2F)C2CC2)C1 ZINC001753159811 1440333191 /nfs/dbraw/zinc/33/31/91/1440333191.db2.gz XPICLXABQVHMSZ-UHFFFAOYSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C1CC(C)(C(=O)NCC[N@@H+](Cc2cc(C#N)ccc2F)C2CC2)C1 ZINC001753159811 1440333192 /nfs/dbraw/zinc/33/31/92/1440333192.db2.gz XPICLXABQVHMSZ-UHFFFAOYSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(F)cc1C[NH2+][C@@H](CNC(=O)C1CC1)c1ccccc1 ZINC001753294884 1440351933 /nfs/dbraw/zinc/35/19/33/1440351933.db2.gz XANKELNBBDAEPJ-IBGZPJMESA-N 1 2 337.398 3.054 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1cnc(C)cn1 ZINC001753307843 1440355863 /nfs/dbraw/zinc/35/58/63/1440355863.db2.gz LYIYYBGUOPYHMW-XWTMOSNGSA-N 1 2 342.487 3.124 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1cnc(C)cn1 ZINC001753307843 1440355864 /nfs/dbraw/zinc/35/58/64/1440355864.db2.gz LYIYYBGUOPYHMW-XWTMOSNGSA-N 1 2 342.487 3.124 20 30 EGEDLO CCC[C@H](C)CC(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001753396797 1440390430 /nfs/dbraw/zinc/39/04/30/1440390430.db2.gz BQZQFKYDYSOSMQ-AWEZNQCLSA-N 1 2 331.435 3.072 20 30 EGEDLO CC1(CC(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)CCCC1 ZINC001753402026 1440391156 /nfs/dbraw/zinc/39/11/56/1440391156.db2.gz ZIAMTYVOCHPGFY-UHFFFAOYSA-N 1 2 343.446 3.216 20 30 EGEDLO CC1(CC(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)CCCCC1 ZINC001753405737 1440391832 /nfs/dbraw/zinc/39/18/32/1440391832.db2.gz FAEARZIRFWCQIW-UHFFFAOYSA-N 1 2 339.483 3.467 20 30 EGEDLO CCC(CC)[C@@H](C)C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001753405796 1440391865 /nfs/dbraw/zinc/39/18/65/1440391865.db2.gz SSCIVSXGGIGLSH-CQSZACIVSA-N 1 2 345.462 3.318 20 30 EGEDLO CC(C)C#CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCc2c1cccc2Cl ZINC001753420943 1440395294 /nfs/dbraw/zinc/39/52/94/1440395294.db2.gz PWEOKBWPKZXXGI-DOXZYTNZSA-N 1 2 342.870 3.272 20 30 EGEDLO CC(C)C#CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCc2c1cccc2Cl ZINC001753420943 1440395295 /nfs/dbraw/zinc/39/52/95/1440395295.db2.gz PWEOKBWPKZXXGI-DOXZYTNZSA-N 1 2 342.870 3.272 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)CC(F)(F)F)C1 ZINC001753448123 1440404813 /nfs/dbraw/zinc/40/48/13/1440404813.db2.gz NGNSMBIYLXAVIW-NWDGAFQWSA-N 1 2 326.790 3.250 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)CC(F)(F)F)C1 ZINC001753448123 1440404814 /nfs/dbraw/zinc/40/48/14/1440404814.db2.gz NGNSMBIYLXAVIW-NWDGAFQWSA-N 1 2 326.790 3.250 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H](CC)[NH2+][C@H](C)c2nc(C(C)C)no2)CC1 ZINC001753490034 1440419246 /nfs/dbraw/zinc/41/92/46/1440419246.db2.gz ORCDKMIITVXIIL-GDBMZVCRSA-N 1 2 348.491 3.485 20 30 EGEDLO C[C@@H]1CCC[C@@H]1CC(=O)N(C)CC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001753853922 1440507835 /nfs/dbraw/zinc/50/78/35/1440507835.db2.gz PYUCZWASDMHRCD-NVXWUHKLSA-N 1 2 345.462 3.414 20 30 EGEDLO C[C@@H]1CCC[C@@H]1CC(=O)N(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001753853922 1440507836 /nfs/dbraw/zinc/50/78/36/1440507836.db2.gz PYUCZWASDMHRCD-NVXWUHKLSA-N 1 2 345.462 3.414 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)C1(C)CCCCC1 ZINC001753861915 1440512152 /nfs/dbraw/zinc/51/21/52/1440512152.db2.gz VJGMVXQQMRTBEZ-UHFFFAOYSA-N 1 2 327.472 3.419 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)C1(C)CCCCC1 ZINC001753861915 1440512153 /nfs/dbraw/zinc/51/21/53/1440512153.db2.gz VJGMVXQQMRTBEZ-UHFFFAOYSA-N 1 2 327.472 3.419 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc(C)nc2ccccc21 ZINC001753867947 1440515712 /nfs/dbraw/zinc/51/57/12/1440515712.db2.gz LVBJZHDXHXLSLF-UHFFFAOYSA-N 1 2 331.847 3.300 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc(C)nc2ccccc21 ZINC001753867947 1440515713 /nfs/dbraw/zinc/51/57/13/1440515713.db2.gz LVBJZHDXHXLSLF-UHFFFAOYSA-N 1 2 331.847 3.300 20 30 EGEDLO C[C@H](C(=O)N(C)CC[N@H+](C)Cc1cc(F)ccc1C#N)C1CCCC1 ZINC001753874412 1440518703 /nfs/dbraw/zinc/51/87/03/1440518703.db2.gz CMHOPUMOEWNKFN-HNNXBMFYSA-N 1 2 345.462 3.414 20 30 EGEDLO C[C@H](C(=O)N(C)CC[N@@H+](C)Cc1cc(F)ccc1C#N)C1CCCC1 ZINC001753874412 1440518704 /nfs/dbraw/zinc/51/87/04/1440518704.db2.gz CMHOPUMOEWNKFN-HNNXBMFYSA-N 1 2 345.462 3.414 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)C1(F)CCCCC1 ZINC001753874472 1440518713 /nfs/dbraw/zinc/51/87/13/1440518713.db2.gz FLBIRTSARPUEEJ-UHFFFAOYSA-N 1 2 331.435 3.121 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)C1(F)CCCCC1 ZINC001753874472 1440518714 /nfs/dbraw/zinc/51/87/14/1440518714.db2.gz FLBIRTSARPUEEJ-UHFFFAOYSA-N 1 2 331.435 3.121 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC/C=C\C[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001754157765 1440545725 /nfs/dbraw/zinc/54/57/25/1440545725.db2.gz YOXQWZWYZQTJQK-HJWRWDBZSA-N 1 2 333.476 3.336 20 30 EGEDLO C=CCC1(C(=O)NC/C=C\C[NH2+][C@@H](C)c2nnc(C)o2)CCCCC1 ZINC001754209310 1440551061 /nfs/dbraw/zinc/55/10/61/1440551061.db2.gz GPHGBYWTSBTAOE-CDNLZTBQSA-N 1 2 346.475 3.228 20 30 EGEDLO C=CCCC(=O)N[C@@H](C)C[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC001754305451 1440570553 /nfs/dbraw/zinc/57/05/53/1440570553.db2.gz KBDJQYXNNYRVFO-HNNXBMFYSA-N 1 2 327.428 3.244 20 30 EGEDLO C=CCCC(=O)N[C@@H](C)C[N@@H+](C)Cc1coc(-c2ccccc2)n1 ZINC001754305451 1440570554 /nfs/dbraw/zinc/57/05/54/1440570554.db2.gz KBDJQYXNNYRVFO-HNNXBMFYSA-N 1 2 327.428 3.244 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)Cc1ccccc1F ZINC001754325908 1440580366 /nfs/dbraw/zinc/58/03/66/1440580366.db2.gz YYHOUDUPDIEARA-JSGCOSHPSA-N 1 2 326.843 3.193 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)Cc1ccccc1F ZINC001754325908 1440580367 /nfs/dbraw/zinc/58/03/67/1440580367.db2.gz YYHOUDUPDIEARA-JSGCOSHPSA-N 1 2 326.843 3.193 20 30 EGEDLO C=CCC1(C(=O)N[C@H](C)C[N@@H+](C)Cc2cc(OC)no2)CCCCC1 ZINC001754337338 1440587273 /nfs/dbraw/zinc/58/72/73/1440587273.db2.gz UJVQXMSTOWNTHB-OAHLLOKOSA-N 1 2 349.475 3.146 20 30 EGEDLO C=CCC1(C(=O)N[C@H](C)C[N@H+](C)Cc2cc(OC)no2)CCCCC1 ZINC001754337338 1440587274 /nfs/dbraw/zinc/58/72/74/1440587274.db2.gz UJVQXMSTOWNTHB-OAHLLOKOSA-N 1 2 349.475 3.146 20 30 EGEDLO C=CCC1(C(=O)N(C)CCC[NH2+][C@H](C)c2noc(C)n2)CCCC1 ZINC001754419530 1440597146 /nfs/dbraw/zinc/59/71/46/1440597146.db2.gz WDRIIJTVPKRDTN-CQSZACIVSA-N 1 2 334.464 3.014 20 30 EGEDLO C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)c1ccccc1 ZINC001754499088 1440613116 /nfs/dbraw/zinc/61/31/16/1440613116.db2.gz BASSGAXTOITNJS-RXVVDRJESA-N 1 2 332.447 3.032 20 30 EGEDLO C[C@H](C(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)c1ccccc1 ZINC001754499088 1440613117 /nfs/dbraw/zinc/61/31/17/1440613117.db2.gz BASSGAXTOITNJS-RXVVDRJESA-N 1 2 332.447 3.032 20 30 EGEDLO C=CCC1(C(=O)NC[C@H]2CC[N@H+]2Cc2cc(C)ns2)CCCC1 ZINC001754504347 1440615749 /nfs/dbraw/zinc/61/57/49/1440615749.db2.gz HJNOHJOYSFJXKU-OAHLLOKOSA-N 1 2 333.501 3.279 20 30 EGEDLO C=CCC1(C(=O)NC[C@H]2CC[N@@H+]2Cc2cc(C)ns2)CCCC1 ZINC001754504347 1440615750 /nfs/dbraw/zinc/61/57/50/1440615750.db2.gz HJNOHJOYSFJXKU-OAHLLOKOSA-N 1 2 333.501 3.279 20 30 EGEDLO C=CCOCCCC(=O)N(C)C1C[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC001754572329 1440637276 /nfs/dbraw/zinc/63/72/76/1440637276.db2.gz AHFVIQZMZGQLPR-HNNXBMFYSA-N 1 2 334.435 3.012 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N(C)C1C[NH+](Cc2ccc(C)c(OC)c2)C1 ZINC001754580083 1440638522 /nfs/dbraw/zinc/63/85/22/1440638522.db2.gz NASLWHNOEOEMRT-UHFFFAOYSA-N 1 2 330.472 3.249 20 30 EGEDLO C=CCC1(C(=O)N(C)C2C[NH+](Cc3ccc(OC)c(C)c3)C2)CCC1 ZINC001754580535 1440638694 /nfs/dbraw/zinc/63/86/94/1440638694.db2.gz CSDJQQRDRRQSBG-UHFFFAOYSA-N 1 2 342.483 3.393 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC1(C)CC[NH+]([C@@H](C)c2nc(C)no2)CC1 ZINC001754627888 1440646803 /nfs/dbraw/zinc/64/68/03/1440646803.db2.gz BMYBWKHMPBCTAF-DZGCQCFKSA-N 1 2 334.464 3.012 20 30 EGEDLO CC/C(C)=C\C(=O)N[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001754670965 1440658006 /nfs/dbraw/zinc/65/80/06/1440658006.db2.gz UBLYDDVLOWEYOP-SZJVNEJHSA-N 1 2 329.419 3.134 20 30 EGEDLO CC/C(C)=C\C(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001754670965 1440658007 /nfs/dbraw/zinc/65/80/07/1440658007.db2.gz UBLYDDVLOWEYOP-SZJVNEJHSA-N 1 2 329.419 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H](C)Cc2cccc(F)c2)C1 ZINC001754685684 1440664962 /nfs/dbraw/zinc/66/49/62/1440664962.db2.gz PUBZKUYQSXXFGJ-UGSOOPFHSA-N 1 2 338.854 3.337 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)Cc2cccc(F)c2)C1 ZINC001754685684 1440664963 /nfs/dbraw/zinc/66/49/63/1440664963.db2.gz PUBZKUYQSXXFGJ-UGSOOPFHSA-N 1 2 338.854 3.337 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CC[N@H+](CC(=C)Br)CC1(C)C ZINC001755138079 1440758984 /nfs/dbraw/zinc/75/89/84/1440758984.db2.gz HUIDLOBQRAZDKD-AWEZNQCLSA-N 1 2 343.309 3.468 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CC(=C)Br)CC1(C)C ZINC001755138079 1440758985 /nfs/dbraw/zinc/75/89/85/1440758985.db2.gz HUIDLOBQRAZDKD-AWEZNQCLSA-N 1 2 343.309 3.468 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2coc3cc(C)ccc23)C1 ZINC001755390139 1440841755 /nfs/dbraw/zinc/84/17/55/1440841755.db2.gz LMCOSBFKWNZEMZ-AWEZNQCLSA-N 1 2 346.858 3.473 20 30 EGEDLO C=CCCCC(=O)N[C@H]1C[N@@H+](Cc2ccn(C(C)C)n2)CC1(C)C ZINC001755414136 1440847758 /nfs/dbraw/zinc/84/77/58/1440847758.db2.gz PRYGFMUSSHTWEP-KRWDZBQOSA-N 1 2 332.492 3.147 20 30 EGEDLO C=CCCCC(=O)N[C@H]1C[N@H+](Cc2ccn(C(C)C)n2)CC1(C)C ZINC001755414136 1440847759 /nfs/dbraw/zinc/84/77/59/1440847759.db2.gz PRYGFMUSSHTWEP-KRWDZBQOSA-N 1 2 332.492 3.147 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H](OC)C2CCCCC2)C(C)(C)C1 ZINC001755416815 1440849475 /nfs/dbraw/zinc/84/94/75/1440849475.db2.gz XKGXSIQZVHRLDY-CVEARBPZSA-N 1 2 342.911 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H](OC)C2CCCCC2)C(C)(C)C1 ZINC001755416815 1440849476 /nfs/dbraw/zinc/84/94/76/1440849476.db2.gz XKGXSIQZVHRLDY-CVEARBPZSA-N 1 2 342.911 3.161 20 30 EGEDLO C=CCC(C)(C)C(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)c1nc(C2CC2)no1 ZINC001755605658 1440885445 /nfs/dbraw/zinc/88/54/45/1440885445.db2.gz FCCMPMQHFOCFOB-OLZOCXBDSA-N 1 2 334.464 3.047 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)CC2CCCC2)CC1 ZINC001755879647 1440939286 /nfs/dbraw/zinc/93/92/86/1440939286.db2.gz SJUQUZDKXHIJRJ-UHFFFAOYSA-N 1 2 341.293 3.224 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)CC2CCCC2)CC1 ZINC001755879647 1440939287 /nfs/dbraw/zinc/93/92/87/1440939287.db2.gz SJUQUZDKXHIJRJ-UHFFFAOYSA-N 1 2 341.293 3.224 20 30 EGEDLO C=CC[NH+]1CCN(C(F)(F)c2cnc(Cl)c(C3CC3)c2)CC1 ZINC001165034670 721873881 /nfs/dbraw/zinc/87/38/81/721873881.db2.gz MPDPPOQLIDYNKD-UHFFFAOYSA-N 1 2 327.806 3.465 20 30 EGEDLO C#C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)c1ccc(Cl)cc1 ZINC001573281257 946675401 /nfs/dbraw/zinc/67/54/01/946675401.db2.gz WTXYZVNUHLTZAA-INIZCTEOSA-N 1 2 341.777 3.123 20 30 EGEDLO Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)s1 ZINC000183967537 235274124 /nfs/dbraw/zinc/27/41/24/235274124.db2.gz VORKDPLCSKYJMD-OAHLLOKOSA-N 1 2 339.464 3.447 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(c2ccsc2)CC1 ZINC000186920691 236064487 /nfs/dbraw/zinc/06/44/87/236064487.db2.gz VMAFTKAADISFCF-UHFFFAOYSA-N 1 2 331.466 3.499 20 30 EGEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000264434697 201211184 /nfs/dbraw/zinc/21/11/84/201211184.db2.gz DIISWEDTSDDCHI-QGZVFWFLSA-N 1 2 338.455 3.468 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(-c2ccccc2F)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000271115509 201241911 /nfs/dbraw/zinc/24/19/11/201241911.db2.gz DGLBCXDJOBTAIG-CQSZACIVSA-N 1 2 349.427 3.261 20 30 EGEDLO C=CC[N@H+](Cc1ccc(-c2ccccc2F)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000271115509 201241915 /nfs/dbraw/zinc/24/19/15/201241915.db2.gz DGLBCXDJOBTAIG-CQSZACIVSA-N 1 2 349.427 3.261 20 30 EGEDLO C=C(C)[C@H](CC(=O)NCCCn1c(C)[nH+]c2ccccc21)OCC ZINC000270026032 201236584 /nfs/dbraw/zinc/23/65/84/201236584.db2.gz KDCFOVRWRWUAOT-SFHVURJKSA-N 1 2 329.444 3.222 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1)OCC ZINC000270245704 201237888 /nfs/dbraw/zinc/23/78/88/201237888.db2.gz XKWSPDRTYXMZLL-MRXNPFEDSA-N 1 2 331.391 3.453 20 30 EGEDLO C=CCCO[C@H](C)c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000272672414 201251648 /nfs/dbraw/zinc/25/16/48/201251648.db2.gz QODNFPWFIJOZOF-NVXWUHKLSA-N 1 2 343.427 3.297 20 30 EGEDLO C=CCCO[C@H](C)c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000272672414 201251653 /nfs/dbraw/zinc/25/16/53/201251653.db2.gz QODNFPWFIJOZOF-NVXWUHKLSA-N 1 2 343.427 3.297 20 30 EGEDLO CC#CCCCC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000274291562 201267210 /nfs/dbraw/zinc/26/72/10/201267210.db2.gz ONTRJFZUCWRSSR-QGZVFWFLSA-N 1 2 329.831 3.473 20 30 EGEDLO CC#CCCCC(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000274322032 201268750 /nfs/dbraw/zinc/26/87/50/201268750.db2.gz ATRCHANMWVWXEH-UHFFFAOYSA-N 1 2 335.451 3.204 20 30 EGEDLO Cn1cc(C[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1C#N ZINC000191432058 239108722 /nfs/dbraw/zinc/10/87/22/239108722.db2.gz NTAFKGNSFXUJPE-KRWDZBQOSA-N 1 2 347.365 3.072 20 30 EGEDLO Cn1cc(C[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1C#N ZINC000191432058 239108728 /nfs/dbraw/zinc/10/87/28/239108728.db2.gz NTAFKGNSFXUJPE-KRWDZBQOSA-N 1 2 347.365 3.072 20 30 EGEDLO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000279579587 201319246 /nfs/dbraw/zinc/31/92/46/201319246.db2.gz LTNCHICGHWIAKM-UHFFFAOYSA-N 1 2 337.423 3.242 20 30 EGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000278749612 201316377 /nfs/dbraw/zinc/31/63/77/201316377.db2.gz RSOHSHXXFGKARH-HUUCEWRRSA-N 1 2 335.473 3.049 20 30 EGEDLO C#CCOc1cc(F)ccc1NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000083812704 201367859 /nfs/dbraw/zinc/36/78/59/201367859.db2.gz HXAMCMNFIHEZBD-HNNXBMFYSA-N 1 2 342.374 3.320 20 30 EGEDLO N#Cc1cccc(OC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c1 ZINC000104715149 204115720 /nfs/dbraw/zinc/11/57/20/204115720.db2.gz UYFPBCSSGSBVRW-UHFFFAOYSA-N 1 2 335.407 3.040 20 30 EGEDLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)cs1 ZINC000111376296 204353605 /nfs/dbraw/zinc/35/36/05/204353605.db2.gz JFTPXJJVQKDIAG-NWDGAFQWSA-N 1 2 328.441 3.255 20 30 EGEDLO C=CC[C@@H](C)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247129540 205264227 /nfs/dbraw/zinc/26/42/27/205264227.db2.gz OMLQHXVMUHEQNO-OAGGEKHMSA-N 1 2 331.460 3.382 20 30 EGEDLO C=CC[C@@H](C)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247129540 205264231 /nfs/dbraw/zinc/26/42/31/205264231.db2.gz OMLQHXVMUHEQNO-OAGGEKHMSA-N 1 2 331.460 3.382 20 30 EGEDLO Cc1nc(N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)sc1C ZINC000157474656 206138675 /nfs/dbraw/zinc/13/86/75/206138675.db2.gz XXQSBUMZWMXYRN-UHFFFAOYSA-N 1 2 330.432 3.093 20 30 EGEDLO C[C@H](NC(=O)NCCCCNc1cccc[nH+]1)c1ccc(C#N)cc1 ZINC000264280573 246285918 /nfs/dbraw/zinc/28/59/18/246285918.db2.gz WTDCEEUMRBMWNP-HNNXBMFYSA-N 1 2 337.427 3.206 20 30 EGEDLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000158506012 206195407 /nfs/dbraw/zinc/19/54/07/206195407.db2.gz LUBIJKGRHKTEMB-UHFFFAOYSA-N 1 2 333.407 3.186 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@H+](CCC(=O)c3ccc(F)cc3)CCO2)c1 ZINC000378519960 169135394 /nfs/dbraw/zinc/13/53/94/169135394.db2.gz NRALMNVBUGWVBS-HXUWFJFHSA-N 1 2 338.382 3.344 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@@H+](CCC(=O)c3ccc(F)cc3)CCO2)c1 ZINC000378519960 169135397 /nfs/dbraw/zinc/13/53/97/169135397.db2.gz NRALMNVBUGWVBS-HXUWFJFHSA-N 1 2 338.382 3.344 20 30 EGEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000267486463 251102245 /nfs/dbraw/zinc/10/22/45/251102245.db2.gz YSHZNYWYFIKVIJ-OAHLLOKOSA-N 1 2 333.407 3.139 20 30 EGEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000267486463 251102249 /nfs/dbraw/zinc/10/22/49/251102249.db2.gz YSHZNYWYFIKVIJ-OAHLLOKOSA-N 1 2 333.407 3.139 20 30 EGEDLO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000176819712 207263790 /nfs/dbraw/zinc/26/37/90/207263790.db2.gz BPRGPMRKEVUGBV-UHFFFAOYSA-N 1 2 333.407 3.140 20 30 EGEDLO CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000176819712 207263793 /nfs/dbraw/zinc/26/37/93/207263793.db2.gz BPRGPMRKEVUGBV-UHFFFAOYSA-N 1 2 333.407 3.140 20 30 EGEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(Cl)cc1Cl ZINC000006609938 258052294 /nfs/dbraw/zinc/05/22/94/258052294.db2.gz WRONFDJUAWBUDN-INIZCTEOSA-N 1 2 340.254 3.234 20 30 EGEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(Cl)cc1Cl ZINC000006609938 258052295 /nfs/dbraw/zinc/05/22/95/258052295.db2.gz WRONFDJUAWBUDN-INIZCTEOSA-N 1 2 340.254 3.234 20 30 EGEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000103141460 140867250 /nfs/dbraw/zinc/86/72/50/140867250.db2.gz TUIAVTQWVRFQDP-UHFFFAOYSA-N 1 2 343.427 3.153 20 30 EGEDLO COc1ccccc1N1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000103138498 140867519 /nfs/dbraw/zinc/86/75/19/140867519.db2.gz WRYPRHMBJAQCSX-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000338125036 141097346 /nfs/dbraw/zinc/09/73/46/141097346.db2.gz KMQZNEFXNKKODH-QGZVFWFLSA-N 1 2 343.377 3.178 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000338152639 141104354 /nfs/dbraw/zinc/10/43/54/141104354.db2.gz LGPZGLHNKRGMFP-UHFFFAOYSA-N 1 2 334.423 3.182 20 30 EGEDLO COc1cccc(C2=CC[N@H+](CC(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000350628165 141257390 /nfs/dbraw/zinc/25/73/90/141257390.db2.gz VAXWGWKTQHLZCF-UHFFFAOYSA-N 1 2 347.418 3.295 20 30 EGEDLO COc1cccc(C2=CC[N@@H+](CC(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000350628165 141257392 /nfs/dbraw/zinc/25/73/92/141257392.db2.gz VAXWGWKTQHLZCF-UHFFFAOYSA-N 1 2 347.418 3.295 20 30 EGEDLO Cn1cc([C@@H]([NH2+]Cc2ccc(F)cc2C#N)c2ccc(F)cc2)cn1 ZINC000185423676 144112392 /nfs/dbraw/zinc/11/23/92/144112392.db2.gz VHIAYPUNWGAMTB-IBGZPJMESA-N 1 2 338.361 3.449 20 30 EGEDLO CCOc1ccc(C#N)cc1NCc1ccc(N(C)CCOC)[nH+]c1 ZINC000191461323 153197524 /nfs/dbraw/zinc/19/75/24/153197524.db2.gz WCEOMFMYABHUIM-UHFFFAOYSA-N 1 2 340.427 3.047 20 30 EGEDLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(C#N)c(F)c1 ZINC000191885241 153227052 /nfs/dbraw/zinc/22/70/52/153227052.db2.gz QPYQLSXOPVLHJZ-UHFFFAOYSA-N 1 2 341.386 3.167 20 30 EGEDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(C#N)c(F)c1 ZINC000191885241 153227059 /nfs/dbraw/zinc/22/70/59/153227059.db2.gz QPYQLSXOPVLHJZ-UHFFFAOYSA-N 1 2 341.386 3.167 20 30 EGEDLO N#Cc1ccccc1CSCC[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000195004897 153371783 /nfs/dbraw/zinc/37/17/83/153371783.db2.gz YKHXIWIWHTWNDQ-GOSISDBHSA-N 1 2 349.463 3.289 20 30 EGEDLO COc1cc2c(cc1OC)C[N@H+](Cc1cccc(C#N)c1F)CC2 ZINC000326991520 154186996 /nfs/dbraw/zinc/18/69/96/154186996.db2.gz UCUMDPQBLBEFJR-UHFFFAOYSA-N 1 2 326.371 3.273 20 30 EGEDLO COc1cc2c(cc1OC)C[N@@H+](Cc1cccc(C#N)c1F)CC2 ZINC000326991520 154186997 /nfs/dbraw/zinc/18/69/97/154186997.db2.gz UCUMDPQBLBEFJR-UHFFFAOYSA-N 1 2 326.371 3.273 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)c(F)c1 ZINC000337365900 154309647 /nfs/dbraw/zinc/30/96/47/154309647.db2.gz MWXULKLUMZTUGL-UHFFFAOYSA-N 1 2 332.382 3.441 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)c(F)c1 ZINC000337365900 154309650 /nfs/dbraw/zinc/30/96/50/154309650.db2.gz MWXULKLUMZTUGL-UHFFFAOYSA-N 1 2 332.382 3.441 20 30 EGEDLO N#Cc1cc(F)ccc1C[NH2+][C@H](Cn1ccccc1=O)c1ccccc1 ZINC000337461316 154365091 /nfs/dbraw/zinc/36/50/91/154365091.db2.gz RCGUIWUQMHJPQC-HXUWFJFHSA-N 1 2 347.393 3.390 20 30 EGEDLO N#Cc1ccncc1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000344058455 164092954 /nfs/dbraw/zinc/09/29/54/164092954.db2.gz IDQVCEYKPBQXNT-UHFFFAOYSA-N 1 2 343.390 3.405 20 30 EGEDLO CCOC(=O)c1ccc(C#N)c(SCc2cn3ccccc3[nH+]2)n1 ZINC000344447507 164181040 /nfs/dbraw/zinc/18/10/40/164181040.db2.gz LAKPIDWLFCVPQJ-UHFFFAOYSA-N 1 2 338.392 3.070 20 30 EGEDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000360213022 167272745 /nfs/dbraw/zinc/27/27/45/167272745.db2.gz MIMGOQMFGUJPFJ-UHFFFAOYSA-N 1 2 346.390 3.133 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000419630058 269969762 /nfs/dbraw/zinc/96/97/62/269969762.db2.gz CMLVVPZYQFQIHI-FUHWJXTLSA-N 1 2 349.438 3.248 20 30 EGEDLO N#Cc1ccc(/C=C/C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000493374670 270058346 /nfs/dbraw/zinc/05/83/46/270058346.db2.gz XIAJBGXBBPJESJ-MDZDMXLPSA-N 1 2 342.402 3.133 20 30 EGEDLO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1nnc(-c3ccc(F)cc3)[nH]1)CC2 ZINC000517442660 270059305 /nfs/dbraw/zinc/05/93/05/270059305.db2.gz ZLXHNXOQOYMRKI-QGZVFWFLSA-N 1 2 333.370 3.260 20 30 EGEDLO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1nc(-c3ccc(F)cc3)n[nH]1)CC2 ZINC000517442660 270059306 /nfs/dbraw/zinc/05/93/06/270059306.db2.gz ZLXHNXOQOYMRKI-QGZVFWFLSA-N 1 2 333.370 3.260 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CC=C(C(F)(F)F)CC3)o2)c1 ZINC000534546252 270061035 /nfs/dbraw/zinc/06/10/35/270061035.db2.gz OBJISHCTIBAEJU-UHFFFAOYSA-N 1 2 334.301 3.303 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CC=C(C(F)(F)F)CC3)o2)c1 ZINC000534546252 270061036 /nfs/dbraw/zinc/06/10/36/270061036.db2.gz OBJISHCTIBAEJU-UHFFFAOYSA-N 1 2 334.301 3.303 20 30 EGEDLO CCOc1ccccc1N1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000179515267 265380903 /nfs/dbraw/zinc/38/09/03/265380903.db2.gz OBIUEKIVZSUZGN-UHFFFAOYSA-N 1 2 327.453 3.341 20 30 EGEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000298331149 266048251 /nfs/dbraw/zinc/04/82/51/266048251.db2.gz AZTGILUOPGXIRP-UHFFFAOYSA-N 1 2 332.407 3.187 20 30 EGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cccc(F)c2C#N)CC1 ZINC000189115648 267005554 /nfs/dbraw/zinc/00/55/54/267005554.db2.gz RZVGQTFPGHSJPU-ZDUSSCGKSA-N 1 2 343.427 3.278 20 30 EGEDLO CC(=O)c1ccc(C#N)c(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1 ZINC000273266005 267008717 /nfs/dbraw/zinc/00/87/17/267008717.db2.gz YRPLJZQXZUQVEI-HNNXBMFYSA-N 1 2 334.423 3.039 20 30 EGEDLO CC(=O)c1ccc(C#N)c(N2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000273341332 267024066 /nfs/dbraw/zinc/02/40/66/267024066.db2.gz SVKQWZIBPLPECW-UHFFFAOYSA-N 1 2 337.398 3.222 20 30 EGEDLO CC[N@H+](Cc1coc(S(C)(=O)=O)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000528357729 267071310 /nfs/dbraw/zinc/07/13/10/267071310.db2.gz KWZQDBOVOGLJLH-ZDUSSCGKSA-N 1 2 332.425 3.138 20 30 EGEDLO CC[N@@H+](Cc1coc(S(C)(=O)=O)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000528357729 267071312 /nfs/dbraw/zinc/07/13/12/267071312.db2.gz KWZQDBOVOGLJLH-ZDUSSCGKSA-N 1 2 332.425 3.138 20 30 EGEDLO CC[N@H+](Cc1nc(C(=O)OC)cs1)[C@H](C)c1ccc(C#N)cc1 ZINC000450289598 267072266 /nfs/dbraw/zinc/07/22/66/267072266.db2.gz VLPLBLWXZXQFEZ-GFCCVEGCSA-N 1 2 329.425 3.384 20 30 EGEDLO CC[N@@H+](Cc1nc(C(=O)OC)cs1)[C@H](C)c1ccc(C#N)cc1 ZINC000450289598 267072268 /nfs/dbraw/zinc/07/22/68/267072268.db2.gz VLPLBLWXZXQFEZ-GFCCVEGCSA-N 1 2 329.425 3.384 20 30 EGEDLO CCOC(=O)[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)Cc2ccccc21 ZINC000441129082 267134917 /nfs/dbraw/zinc/13/49/17/267134917.db2.gz GAMBNRIZDSFDLD-SFHVURJKSA-N 1 2 338.382 3.360 20 30 EGEDLO CCOC(=O)[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)Cc2ccccc21 ZINC000441129082 267134918 /nfs/dbraw/zinc/13/49/18/267134918.db2.gz GAMBNRIZDSFDLD-SFHVURJKSA-N 1 2 338.382 3.360 20 30 EGEDLO C[C@H]1CN(c2ccc(Nc3nc(Cl)c(C#N)s3)c[nH+]2)C[C@H](C)O1 ZINC000286441974 267239648 /nfs/dbraw/zinc/23/96/48/267239648.db2.gz QXAQOIOPOLWSJA-UWVGGRQHSA-N 1 2 349.847 3.420 20 30 EGEDLO C[N@H+](Cc1cc(C#N)ccc1Br)[C@H](CO)c1ccccc1 ZINC000492402791 267311772 /nfs/dbraw/zinc/31/17/72/267311772.db2.gz YQPCVUDFSMTGJD-QGZVFWFLSA-N 1 2 345.240 3.486 20 30 EGEDLO C[N@@H+](Cc1cc(C#N)ccc1Br)[C@H](CO)c1ccccc1 ZINC000492402791 267311775 /nfs/dbraw/zinc/31/17/75/267311775.db2.gz YQPCVUDFSMTGJD-QGZVFWFLSA-N 1 2 345.240 3.486 20 30 EGEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000347991650 268087020 /nfs/dbraw/zinc/08/70/20/268087020.db2.gz NRUXJIMSMUYIJT-KRWDZBQOSA-N 1 2 341.374 3.065 20 30 EGEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(F)c(F)c(F)c3)C2)nc1 ZINC000292864145 268185415 /nfs/dbraw/zinc/18/54/15/268185415.db2.gz VRGWMMCBMUHWNQ-ZDUSSCGKSA-N 1 2 333.313 3.024 20 30 EGEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(F)c(F)c(F)c3)C2)nc1 ZINC000292864145 268185416 /nfs/dbraw/zinc/18/54/16/268185416.db2.gz VRGWMMCBMUHWNQ-ZDUSSCGKSA-N 1 2 333.313 3.024 20 30 EGEDLO N#Cc1cccc(C#N)c1NCc1[nH+]ccn1CCc1ccccc1 ZINC000302906746 268236417 /nfs/dbraw/zinc/23/64/17/268236417.db2.gz XDALFOVZIPWKLQ-UHFFFAOYSA-N 1 2 327.391 3.481 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000420941314 268241525 /nfs/dbraw/zinc/24/15/25/268241525.db2.gz FLJVHDXLUUVCMQ-CYBMUJFWSA-N 1 2 325.334 3.161 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000420941314 268241526 /nfs/dbraw/zinc/24/15/26/268241526.db2.gz FLJVHDXLUUVCMQ-CYBMUJFWSA-N 1 2 325.334 3.161 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000420941315 268241582 /nfs/dbraw/zinc/24/15/82/268241582.db2.gz FLJVHDXLUUVCMQ-ZDUSSCGKSA-N 1 2 325.334 3.161 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000420941315 268241584 /nfs/dbraw/zinc/24/15/84/268241584.db2.gz FLJVHDXLUUVCMQ-ZDUSSCGKSA-N 1 2 325.334 3.161 20 30 EGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000459331818 268289561 /nfs/dbraw/zinc/28/95/61/268289561.db2.gz WLMOCHHYEWHAHL-ZDUSSCGKSA-N 1 2 328.397 3.303 20 30 EGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000459331818 268289563 /nfs/dbraw/zinc/28/95/63/268289563.db2.gz WLMOCHHYEWHAHL-ZDUSSCGKSA-N 1 2 328.397 3.303 20 30 EGEDLO N#Cc1ccccc1OCC[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000066845604 307363343 /nfs/dbraw/zinc/36/33/43/307363343.db2.gz KWHDJFNWGHCBPY-LJQANCHMSA-N 1 2 326.371 3.150 20 30 EGEDLO N#Cc1ccccc1OCC[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000066845604 307363345 /nfs/dbraw/zinc/36/33/45/307363345.db2.gz KWHDJFNWGHCBPY-LJQANCHMSA-N 1 2 326.371 3.150 20 30 EGEDLO N#Cc1ccc(SCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000170869649 307937301 /nfs/dbraw/zinc/93/73/01/307937301.db2.gz IOKCBMAXMWWTCQ-UHFFFAOYSA-N 1 2 334.404 3.475 20 30 EGEDLO N#Cc1cc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)ccc1F ZINC000535258726 314034950 /nfs/dbraw/zinc/03/49/50/314034950.db2.gz XYOXICVYFMZAHC-UHFFFAOYSA-N 1 2 344.415 3.109 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c1C#N ZINC000538039940 314225083 /nfs/dbraw/zinc/22/50/83/314225083.db2.gz PKTNFNMSSLXPRU-KRWDZBQOSA-N 1 2 338.411 3.022 20 30 EGEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c1C#N ZINC000538039940 314225084 /nfs/dbraw/zinc/22/50/84/314225084.db2.gz PKTNFNMSSLXPRU-KRWDZBQOSA-N 1 2 338.411 3.022 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccc(Cl)c(C#N)c1 ZINC000538685164 314264169 /nfs/dbraw/zinc/26/41/69/314264169.db2.gz UQNOEKUALGJMEJ-UHFFFAOYSA-N 1 2 338.798 3.300 20 30 EGEDLO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1noc(Cc2ccccc2)n1 ZINC000542620544 314562542 /nfs/dbraw/zinc/56/25/42/314562542.db2.gz GVWGEGXHZDUEIM-OAHLLOKOSA-N 1 2 348.406 3.262 20 30 EGEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1Cl ZINC000548279148 314988891 /nfs/dbraw/zinc/98/88/91/314988891.db2.gz YDVGXDQJJPOBBB-UHFFFAOYSA-N 1 2 345.855 3.231 20 30 EGEDLO Cc1[nH+]c2ccc(C(=O)NC3(c4cccc(C#N)c4)CC3)cc2n1C ZINC000551889108 315174890 /nfs/dbraw/zinc/17/48/90/315174890.db2.gz BZCSUKNVEUZYDY-UHFFFAOYSA-N 1 2 330.391 3.173 20 30 EGEDLO CCc1cc(N)nc(SCc2ccc(Br)cc2C#N)[nH+]1 ZINC000553850597 315285329 /nfs/dbraw/zinc/28/53/29/315285329.db2.gz UGJKQQLLZBIPDA-UHFFFAOYSA-N 1 2 349.257 3.378 20 30 EGEDLO C[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1nc(C(C)(C)C)cs1 ZINC000560944952 315731665 /nfs/dbraw/zinc/73/16/65/315731665.db2.gz DZEOERSJFRWKCO-LLVKDONJSA-N 1 2 340.456 3.206 20 30 EGEDLO N#CCC[N@@H+](Cc1cc2c(c(Br)c1)OCO2)CC1CC1 ZINC000176253258 454717545 /nfs/dbraw/zinc/71/75/45/454717545.db2.gz NVGUYSUICXELEN-UHFFFAOYSA-N 1 2 337.217 3.303 20 30 EGEDLO N#CCC[N@H+](Cc1cc2c(c(Br)c1)OCO2)CC1CC1 ZINC000176253258 454717550 /nfs/dbraw/zinc/71/75/50/454717550.db2.gz NVGUYSUICXELEN-UHFFFAOYSA-N 1 2 337.217 3.303 20 30 EGEDLO Cc1sc(NC(=O)C[NH+]2CCC(OC3CCC3)CC2)c(C#N)c1C ZINC000567455712 316620473 /nfs/dbraw/zinc/62/04/73/316620473.db2.gz HCRURXXSFPCEMC-UHFFFAOYSA-N 1 2 347.484 3.209 20 30 EGEDLO CN(C(=O)C[NH2+]C1(C(F)F)CCCCC1)C1(C#N)CCCCC1 ZINC000510169555 458774071 /nfs/dbraw/zinc/77/40/71/458774071.db2.gz MOMWPSIBKLJVJP-UHFFFAOYSA-N 1 2 327.419 3.229 20 30 EGEDLO Cc1occc1C[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000173245766 455253411 /nfs/dbraw/zinc/25/34/11/455253411.db2.gz BYJGQBKUQKOPGS-UHFFFAOYSA-N 1 2 329.425 3.274 20 30 EGEDLO Cc1occc1C[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000173245766 455253415 /nfs/dbraw/zinc/25/34/15/455253415.db2.gz BYJGQBKUQKOPGS-UHFFFAOYSA-N 1 2 329.425 3.274 20 30 EGEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1cccc(Cl)c1Cl ZINC000007017673 453018508 /nfs/dbraw/zinc/01/85/08/453018508.db2.gz NERSIZLYIGFGSO-MRXNPFEDSA-N 1 2 340.254 3.234 20 30 EGEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1cccc(Cl)c1Cl ZINC000007017673 453018515 /nfs/dbraw/zinc/01/85/15/453018515.db2.gz NERSIZLYIGFGSO-MRXNPFEDSA-N 1 2 340.254 3.234 20 30 EGEDLO C#CCCCCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000245571308 455333245 /nfs/dbraw/zinc/33/32/45/455333245.db2.gz BQSSYXMBYFJZBE-HKUYNNGSSA-N 1 2 348.874 3.022 20 30 EGEDLO C#CCCCCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000245571308 455333249 /nfs/dbraw/zinc/33/32/49/455333249.db2.gz BQSSYXMBYFJZBE-HKUYNNGSSA-N 1 2 348.874 3.022 20 30 EGEDLO COc1ccc(Cl)cc1C[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000008005631 453149225 /nfs/dbraw/zinc/14/92/25/453149225.db2.gz WBRJJZUJVZQZJJ-UHFFFAOYSA-N 1 2 343.814 3.291 20 30 EGEDLO COc1ccc(Cl)cc1C[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000008005631 453149231 /nfs/dbraw/zinc/14/92/31/453149231.db2.gz WBRJJZUJVZQZJJ-UHFFFAOYSA-N 1 2 343.814 3.291 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCc3sccc3C2)cc1Cl ZINC000014779087 453543960 /nfs/dbraw/zinc/54/39/60/453543960.db2.gz KKJSDDBMAYLCEO-UHFFFAOYSA-N 1 2 331.828 3.270 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCc3sccc3C2)cc1Cl ZINC000014779087 453543964 /nfs/dbraw/zinc/54/39/64/453543964.db2.gz KKJSDDBMAYLCEO-UHFFFAOYSA-N 1 2 331.828 3.270 20 30 EGEDLO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000015144757 453559845 /nfs/dbraw/zinc/55/98/45/453559845.db2.gz CLWCABFIKPIZJL-CQSZACIVSA-N 1 2 331.485 3.352 20 30 EGEDLO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000015144757 453559849 /nfs/dbraw/zinc/55/98/49/453559849.db2.gz CLWCABFIKPIZJL-CQSZACIVSA-N 1 2 331.485 3.352 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000027775500 453820482 /nfs/dbraw/zinc/82/04/82/453820482.db2.gz YXHCPTSRWSFVKP-UHFFFAOYSA-N 1 2 325.368 3.222 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000027775500 453820483 /nfs/dbraw/zinc/82/04/83/453820483.db2.gz YXHCPTSRWSFVKP-UHFFFAOYSA-N 1 2 325.368 3.222 20 30 EGEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000030205829 453834397 /nfs/dbraw/zinc/83/43/97/453834397.db2.gz RYZNLZWMTFIUKB-HNNXBMFYSA-N 1 2 339.414 3.349 20 30 EGEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000030205829 453834398 /nfs/dbraw/zinc/83/43/98/453834398.db2.gz RYZNLZWMTFIUKB-HNNXBMFYSA-N 1 2 339.414 3.349 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000181738429 455377476 /nfs/dbraw/zinc/37/74/76/455377476.db2.gz UKNNMQRRPHAVJC-BZNIZROVSA-N 1 2 325.815 3.184 20 30 EGEDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000075275828 453874891 /nfs/dbraw/zinc/87/48/91/453874891.db2.gz SFOPTAXWWMJBRT-AWEZNQCLSA-N 1 2 332.407 3.348 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1cccc(C#N)c1)c1cccc(F)c1 ZINC000054008096 453904995 /nfs/dbraw/zinc/90/49/95/453904995.db2.gz JRYHCJGXRHTHBR-KRWDZBQOSA-N 1 2 349.369 3.342 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccc(OC)cc1)Cc1ccc(OC)cc1 ZINC000054271996 453919693 /nfs/dbraw/zinc/91/96/93/453919693.db2.gz PGKYNFAYXSSELZ-UHFFFAOYSA-N 1 2 340.423 3.331 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(OC)cc1)Cc1ccc(OC)cc1 ZINC000054271996 453919696 /nfs/dbraw/zinc/91/96/96/453919696.db2.gz PGKYNFAYXSSELZ-UHFFFAOYSA-N 1 2 340.423 3.331 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCOC4(CCCCC4)C3)o2)c1 ZINC000075832067 453929870 /nfs/dbraw/zinc/92/98/70/453929870.db2.gz IQBFQMIDYSVFAL-UHFFFAOYSA-N 1 2 338.411 3.143 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCOC4(CCCCC4)C3)o2)c1 ZINC000075832067 453929873 /nfs/dbraw/zinc/92/98/73/453929873.db2.gz IQBFQMIDYSVFAL-UHFFFAOYSA-N 1 2 338.411 3.143 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000042251178 454003275 /nfs/dbraw/zinc/00/32/75/454003275.db2.gz BIKKHHDMWPECGH-MRXNPFEDSA-N 1 2 349.906 3.275 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000076948249 454051996 /nfs/dbraw/zinc/05/19/96/454051996.db2.gz YYDLKXLQDOECAX-YOEHRIQHSA-N 1 2 329.444 3.130 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000076948249 454051999 /nfs/dbraw/zinc/05/19/99/454051999.db2.gz YYDLKXLQDOECAX-YOEHRIQHSA-N 1 2 329.444 3.130 20 30 EGEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000043476635 454063827 /nfs/dbraw/zinc/06/38/27/454063827.db2.gz LTDPRRBDXPSSDH-UHFFFAOYSA-N 1 2 347.422 3.328 20 30 EGEDLO C=CCOc1cccc(NC(=O)NCCCNc2cccc[nH+]2)c1 ZINC000056658164 454073621 /nfs/dbraw/zinc/07/36/21/454073621.db2.gz CEPQUXWEWBMEQE-UHFFFAOYSA-N 1 2 326.400 3.270 20 30 EGEDLO COc1ccc(F)cc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000070793892 454176987 /nfs/dbraw/zinc/17/69/87/454176987.db2.gz WEZXGSFVYNIKAY-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO C=CC[N@H+](Cc1csc(C)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000095399077 454203075 /nfs/dbraw/zinc/20/30/75/454203075.db2.gz QDQYCIAKYZZJIR-ZDUSSCGKSA-N 1 2 340.456 3.176 20 30 EGEDLO C=CC[N@@H+](Cc1csc(C)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000095399077 454203079 /nfs/dbraw/zinc/20/30/79/454203079.db2.gz QDQYCIAKYZZJIR-ZDUSSCGKSA-N 1 2 340.456 3.176 20 30 EGEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2SCC#N)C[C@H](C)S1 ZINC000072771326 454339064 /nfs/dbraw/zinc/33/90/64/454339064.db2.gz FESNWLDCFBYRPX-BETUJISGSA-N 1 2 335.498 3.067 20 30 EGEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2SCC#N)C[C@H](C)S1 ZINC000072771326 454339059 /nfs/dbraw/zinc/33/90/59/454339059.db2.gz FESNWLDCFBYRPX-BETUJISGSA-N 1 2 335.498 3.067 20 30 EGEDLO CCCC[N@H+](CCOC)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091069331 454376097 /nfs/dbraw/zinc/37/60/97/454376097.db2.gz KBPGBCYKBRNJFV-UHFFFAOYSA-N 1 2 326.444 3.301 20 30 EGEDLO CCCC[N@@H+](CCOC)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091069331 454376102 /nfs/dbraw/zinc/37/61/02/454376102.db2.gz KBPGBCYKBRNJFV-UHFFFAOYSA-N 1 2 326.444 3.301 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1sccc1C#N)Cc1cccc(C#N)c1 ZINC000063300392 454403619 /nfs/dbraw/zinc/40/36/19/454403619.db2.gz SFUFZRMVBOCPMV-UHFFFAOYSA-N 1 2 336.420 3.118 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1sccc1C#N)Cc1cccc(C#N)c1 ZINC000063300392 454403622 /nfs/dbraw/zinc/40/36/22/454403622.db2.gz SFUFZRMVBOCPMV-UHFFFAOYSA-N 1 2 336.420 3.118 20 30 EGEDLO Cn1c[nH+]cc1CCNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000121425712 454434778 /nfs/dbraw/zinc/43/47/78/454434778.db2.gz PCPOMHXXNNRUNH-UHFFFAOYSA-N 1 2 346.390 3.057 20 30 EGEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cn1ncc2ccccc2c1=O ZINC000063729651 454442033 /nfs/dbraw/zinc/44/20/33/454442033.db2.gz HQLBGCYPDOOWFN-UHFFFAOYSA-N 1 2 332.407 3.136 20 30 EGEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cn1ncc2ccccc2c1=O ZINC000063729651 454442036 /nfs/dbraw/zinc/44/20/36/454442036.db2.gz HQLBGCYPDOOWFN-UHFFFAOYSA-N 1 2 332.407 3.136 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc(CC#N)c1)c1ccc(F)cc1 ZINC000049613108 454552696 /nfs/dbraw/zinc/55/26/96/454552696.db2.gz PDYVFZDPFZMILW-SFHVURJKSA-N 1 2 348.381 3.145 20 30 EGEDLO CC(C)CO[C@H](C)c1noc(C[N@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000080626395 454608481 /nfs/dbraw/zinc/60/84/81/454608481.db2.gz DKPLBTFMMLMTGR-CQSZACIVSA-N 1 2 328.416 3.307 20 30 EGEDLO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000080626395 454608484 /nfs/dbraw/zinc/60/84/84/454608484.db2.gz DKPLBTFMMLMTGR-CQSZACIVSA-N 1 2 328.416 3.307 20 30 EGEDLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000134972390 454618674 /nfs/dbraw/zinc/61/86/74/454618674.db2.gz MCUKTZORNYNMBN-UHFFFAOYSA-N 1 2 337.423 3.200 20 30 EGEDLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000134972390 454618677 /nfs/dbraw/zinc/61/86/77/454618677.db2.gz MCUKTZORNYNMBN-UHFFFAOYSA-N 1 2 337.423 3.200 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000051877981 454640064 /nfs/dbraw/zinc/64/00/64/454640064.db2.gz JBHHSFOPDPMTKN-KGLIPLIRSA-N 1 2 344.484 3.297 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000051877981 454640069 /nfs/dbraw/zinc/64/00/69/454640069.db2.gz JBHHSFOPDPMTKN-KGLIPLIRSA-N 1 2 344.484 3.297 20 30 EGEDLO COc1ccc(C#N)cc1Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000092918647 454652579 /nfs/dbraw/zinc/65/25/79/454652579.db2.gz LMAUCYLWGKGYIW-UHFFFAOYSA-N 1 2 332.285 3.379 20 30 EGEDLO C[C@@H]1CCN(C(=O)c2cccc(SCC#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000124191453 454704877 /nfs/dbraw/zinc/70/48/77/454704877.db2.gz SGMNFVXIGJJOMO-PBHICJAKSA-N 1 2 340.452 3.222 20 30 EGEDLO N#CCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000124546069 454747061 /nfs/dbraw/zinc/74/70/61/454747061.db2.gz IAKXPOWXOPAYBK-UHFFFAOYSA-N 1 2 343.427 3.112 20 30 EGEDLO CCc1nnc(N(C)Cc2[nH+]cc(C)c(OC)c2C)c(C#N)c1CC ZINC000176955974 454804010 /nfs/dbraw/zinc/80/40/10/454804010.db2.gz SZTUWHMXCSHBNA-UHFFFAOYSA-N 1 2 339.443 3.130 20 30 EGEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)N(Cc1ccccc1)C1CC1 ZINC000109813462 454838356 /nfs/dbraw/zinc/83/83/56/454838356.db2.gz BIRLNCZPRUVREN-UHFFFAOYSA-N 1 2 327.472 3.439 20 30 EGEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)N(Cc1ccccc1)C1CC1 ZINC000109813462 454838362 /nfs/dbraw/zinc/83/83/62/454838362.db2.gz BIRLNCZPRUVREN-UHFFFAOYSA-N 1 2 327.472 3.439 20 30 EGEDLO N#CCC[C@H](C#N)C[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000112560413 454889856 /nfs/dbraw/zinc/88/98/56/454889856.db2.gz YUBBJEWJZNRXDF-OAHLLOKOSA-N 1 2 335.411 3.360 20 30 EGEDLO C#CCCCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000154459881 454899325 /nfs/dbraw/zinc/89/93/25/454899325.db2.gz ZEOZXWQNLWUITG-RBUKOAKNSA-N 1 2 336.439 3.214 20 30 EGEDLO C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000154709799 454922259 /nfs/dbraw/zinc/92/22/59/454922259.db2.gz WRSZFESUXIYVNE-UHFFFAOYSA-N 1 2 339.395 3.237 20 30 EGEDLO N#Cc1ccc(NC(=O)NCc2ccn3cc[nH+]c3c2)cc1Cl ZINC000178160040 454939959 /nfs/dbraw/zinc/93/99/59/454939959.db2.gz VANXMSVNVKBHPG-UHFFFAOYSA-N 1 2 325.759 3.181 20 30 EGEDLO Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000178190409 454941747 /nfs/dbraw/zinc/94/17/47/454941747.db2.gz DBUIMBVSZZJLMN-UHFFFAOYSA-N 1 2 338.392 3.058 20 30 EGEDLO N#Cc1cnc(Nc2ccc([NH+]3CCC(O)CC3)cc2)c(Cl)c1 ZINC000114708827 454970434 /nfs/dbraw/zinc/97/04/34/454970434.db2.gz LCAMGVXOFHGBAU-UHFFFAOYSA-N 1 2 328.803 3.311 20 30 EGEDLO CC(=O)Nc1ccccc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000155224609 454976865 /nfs/dbraw/zinc/97/68/65/454976865.db2.gz KKPIORVIIZDMJD-OAQYLSRUSA-N 1 2 348.450 3.027 20 30 EGEDLO Cc1ccc(C(=O)N[C@@]2(C#N)CCSC2)cc1Oc1cc[nH+]cc1 ZINC000115353604 455011711 /nfs/dbraw/zinc/01/17/11/455011711.db2.gz FISIIUWPORPAAA-GOSISDBHSA-N 1 2 339.420 3.311 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)cc1Cl ZINC000179486076 455051056 /nfs/dbraw/zinc/05/10/56/455051056.db2.gz FHZJZRQISMZIEG-MRXNPFEDSA-N 1 2 334.847 3.148 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)cc1Cl ZINC000179486076 455051060 /nfs/dbraw/zinc/05/10/60/455051060.db2.gz FHZJZRQISMZIEG-MRXNPFEDSA-N 1 2 334.847 3.148 20 30 EGEDLO C=CC[C@H](C)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000117001638 455077007 /nfs/dbraw/zinc/07/70/07/455077007.db2.gz OMLQHXVMUHEQNO-HRCADAONSA-N 1 2 331.460 3.382 20 30 EGEDLO C=CC[C@H](C)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000117001638 455077010 /nfs/dbraw/zinc/07/70/10/455077010.db2.gz OMLQHXVMUHEQNO-HRCADAONSA-N 1 2 331.460 3.382 20 30 EGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000180051209 455123641 /nfs/dbraw/zinc/12/36/41/455123641.db2.gz XCMXFFKDAFVSTP-UKRRQHHQSA-N 1 2 339.399 3.460 20 30 EGEDLO Cn1cc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180243356 455151127 /nfs/dbraw/zinc/15/11/27/455151127.db2.gz AAVACICYFVUCFF-LJQANCHMSA-N 1 2 348.406 3.125 20 30 EGEDLO Cn1cc(C[N@H+]2CCO[C@@H](c3ccco3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180243356 455151130 /nfs/dbraw/zinc/15/11/30/455151130.db2.gz AAVACICYFVUCFF-LJQANCHMSA-N 1 2 348.406 3.125 20 30 EGEDLO N#CCOc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000264140225 455192880 /nfs/dbraw/zinc/19/28/80/455192880.db2.gz OESKFHCTSHNVQW-LJQANCHMSA-N 1 2 326.371 3.302 20 30 EGEDLO N#CCOc1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000264140225 455192885 /nfs/dbraw/zinc/19/28/85/455192885.db2.gz OESKFHCTSHNVQW-LJQANCHMSA-N 1 2 326.371 3.302 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+](Cc2ccccn2)C2CC2)c(C#N)c1C ZINC000181323882 455318023 /nfs/dbraw/zinc/31/80/23/455318023.db2.gz OPJXOWHECOYUDF-UHFFFAOYSA-N 1 2 340.452 3.235 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+](Cc2ccccn2)C2CC2)c(C#N)c1C ZINC000181323882 455318029 /nfs/dbraw/zinc/31/80/29/455318029.db2.gz OPJXOWHECOYUDF-UHFFFAOYSA-N 1 2 340.452 3.235 20 30 EGEDLO C#CCCCCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000245571312 455332457 /nfs/dbraw/zinc/33/24/57/455332457.db2.gz BQSSYXMBYFJZBE-MJGOQNOKSA-N 1 2 348.874 3.022 20 30 EGEDLO C#CCCCCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000245571312 455332462 /nfs/dbraw/zinc/33/24/62/455332462.db2.gz BQSSYXMBYFJZBE-MJGOQNOKSA-N 1 2 348.874 3.022 20 30 EGEDLO CSCCCO[NH+]=C(N)c1cccc(OCc2cccnc2)c1 ZINC000174131985 455362854 /nfs/dbraw/zinc/36/28/54/455362854.db2.gz VFDNLADYVPWZHN-UHFFFAOYSA-N 1 2 331.441 3.051 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184861771 455463206 /nfs/dbraw/zinc/46/32/06/455463206.db2.gz RBKGRFIDGFVYQC-KUHUBIRLSA-N 1 2 340.427 3.047 20 30 EGEDLO Cc1ccc([C@H](CNc2nc(C)ccc2C#N)[NH+]2CCOCC2)cc1 ZINC000160717006 455490688 /nfs/dbraw/zinc/49/06/88/455490688.db2.gz GFYLVHSEBONUCP-IBGZPJMESA-N 1 2 336.439 3.056 20 30 EGEDLO COCCN(C)c1ccc(CNc2ccccc2O[C@@H](C)C#N)c[nH+]1 ZINC000191576046 455498502 /nfs/dbraw/zinc/49/85/02/455498502.db2.gz JHPVIHMMAWVYEN-HNNXBMFYSA-N 1 2 340.427 3.067 20 30 EGEDLO Cc1cccn2cc(COc3ccc(C(=O)NC4(C#N)CC4)cc3)[nH+]c12 ZINC000160894213 455510834 /nfs/dbraw/zinc/51/08/34/455510834.db2.gz AJIXLSXJZHCRLJ-UHFFFAOYSA-N 1 2 346.390 3.008 20 30 EGEDLO CC[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1c(C)noc1C ZINC000182421116 455510969 /nfs/dbraw/zinc/51/09/69/455510969.db2.gz RPSNDMKVYWPZLQ-OAHLLOKOSA-N 1 2 337.383 3.454 20 30 EGEDLO COc1cccc2c1CC[N@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)C2 ZINC000182671705 455565476 /nfs/dbraw/zinc/56/54/76/455565476.db2.gz IHOUGPYVPDRGIF-UHFFFAOYSA-N 1 2 346.390 3.175 20 30 EGEDLO COc1cccc2c1CC[N@@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)C2 ZINC000182671705 455565478 /nfs/dbraw/zinc/56/54/78/455565478.db2.gz IHOUGPYVPDRGIF-UHFFFAOYSA-N 1 2 346.390 3.175 20 30 EGEDLO NC(=[NH+]OCCCCCF)c1cccc(OCc2cccnc2)c1 ZINC000283841118 455602421 /nfs/dbraw/zinc/60/24/21/455602421.db2.gz BSENEKOUNQOPDG-UHFFFAOYSA-N 1 2 331.391 3.437 20 30 EGEDLO CC(C)n1cc[nH+]c1CN1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000277710696 455641928 /nfs/dbraw/zinc/64/19/28/455641928.db2.gz IKYFGVKXAVCKTD-UHFFFAOYSA-N 1 2 343.862 3.311 20 30 EGEDLO CC(C)(C)c1ncc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cn1 ZINC000284489890 455694903 /nfs/dbraw/zinc/69/49/03/455694903.db2.gz WZBNSLUYKKAXBL-IBGZPJMESA-N 1 2 349.482 3.157 20 30 EGEDLO C[C@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000249803633 455777109 /nfs/dbraw/zinc/77/71/09/455777109.db2.gz DTPFZTMAZHCWOX-KZULUSFZSA-N 1 2 342.468 3.098 20 30 EGEDLO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000249803633 455777111 /nfs/dbraw/zinc/77/71/11/455777111.db2.gz DTPFZTMAZHCWOX-KZULUSFZSA-N 1 2 342.468 3.098 20 30 EGEDLO C[C@@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1ccc(OCC#N)cc1 ZINC000271892480 455798450 /nfs/dbraw/zinc/79/84/50/455798450.db2.gz SHECMKOOKXGKAB-SJKOYZFVSA-N 1 2 332.350 3.251 20 30 EGEDLO CC(C)(C#N)CCO[NH+]=C(N)c1cccc(OCc2cccnc2)c1 ZINC000272049940 455831714 /nfs/dbraw/zinc/83/17/14/455831714.db2.gz DQTCARFJYUTFPG-UHFFFAOYSA-N 1 2 338.411 3.237 20 30 EGEDLO CN(CCC#N)c1ccc(C[NH2+]Cc2ncc(C(F)(F)F)cn2)cc1 ZINC000294912466 455831884 /nfs/dbraw/zinc/83/18/84/455831884.db2.gz FADCXIJVJGXPIN-UHFFFAOYSA-N 1 2 349.360 3.135 20 30 EGEDLO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(F)c(O)c(F)c1)C(C)C ZINC000186809931 455839018 /nfs/dbraw/zinc/83/90/18/455839018.db2.gz MIPYMUOIOBYWHW-MRXNPFEDSA-N 1 2 338.398 3.099 20 30 EGEDLO N#C[C@@]1(C(=O)NCc2[nH+]ccn2CCc2ccccc2)CC12CCCC2 ZINC000295135952 455839957 /nfs/dbraw/zinc/83/99/57/455839957.db2.gz NZSGSVZEIINCDC-OAQYLSRUSA-N 1 2 348.450 3.216 20 30 EGEDLO N#C[C@@H](NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1)C1CCCCC1 ZINC000255024856 455858261 /nfs/dbraw/zinc/85/82/61/455858261.db2.gz JSCGNXDBEMVNMR-SCEWNMGZSA-N 1 2 334.423 3.474 20 30 EGEDLO C[C@@H]1c2cccn2CC[N@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279471468 455865578 /nfs/dbraw/zinc/86/55/78/455865578.db2.gz VPFYBNMDTMGLEJ-MRXNPFEDSA-N 1 2 346.438 3.237 20 30 EGEDLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279471468 455865585 /nfs/dbraw/zinc/86/55/85/455865585.db2.gz VPFYBNMDTMGLEJ-MRXNPFEDSA-N 1 2 346.438 3.237 20 30 EGEDLO CC(=O)c1cccc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000296232215 455886840 /nfs/dbraw/zinc/88/68/40/455886840.db2.gz DWODPSXYWHVGRX-UHFFFAOYSA-N 1 2 333.435 3.079 20 30 EGEDLO CC(=O)c1cccc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000296232215 455886845 /nfs/dbraw/zinc/88/68/45/455886845.db2.gz DWODPSXYWHVGRX-UHFFFAOYSA-N 1 2 333.435 3.079 20 30 EGEDLO Cc1nc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cs1 ZINC000272276144 455899699 /nfs/dbraw/zinc/89/96/99/455899699.db2.gz ZCBQKWKQKANYTC-LRDDRELGSA-N 1 2 340.452 3.169 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)cc1Cl ZINC000280229421 455921516 /nfs/dbraw/zinc/92/15/16/455921516.db2.gz JPVQDBVBLLTZAG-RDTXWAMCSA-N 1 2 337.847 3.285 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)cc1Cl ZINC000280229421 455921519 /nfs/dbraw/zinc/92/15/19/455921519.db2.gz JPVQDBVBLLTZAG-RDTXWAMCSA-N 1 2 337.847 3.285 20 30 EGEDLO C=CCNC(=O)c1ccc(NCc2ccc(N(C)C(C)C)[nH+]c2)cc1 ZINC000195128377 455924327 /nfs/dbraw/zinc/92/43/27/455924327.db2.gz OKOGNXPXLCNURP-UHFFFAOYSA-N 1 2 338.455 3.454 20 30 EGEDLO C#CC[C@H](NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C)c1ccccc1 ZINC000296626236 455994092 /nfs/dbraw/zinc/99/40/92/455994092.db2.gz YNIRVLCTKVWEOB-IRXDYDNUSA-N 1 2 336.439 3.277 20 30 EGEDLO COc1ccc(C[C@@H](C)C/[NH+]=C/c2ccc(O)c(O)c2O)cc1OC ZINC000270666183 456010459 /nfs/dbraw/zinc/01/04/59/456010459.db2.gz QACUOTBIMKUYBZ-ZICWZVMQSA-N 1 2 345.395 3.118 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000286258173 456010895 /nfs/dbraw/zinc/01/08/95/456010895.db2.gz AWIRGONDZRLYGB-GXTWGEPZSA-N 1 2 332.753 3.204 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000286258173 456010899 /nfs/dbraw/zinc/01/08/99/456010899.db2.gz AWIRGONDZRLYGB-GXTWGEPZSA-N 1 2 332.753 3.204 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC000272637592 456022251 /nfs/dbraw/zinc/02/22/51/456022251.db2.gz XECLTKIYQBDORQ-LBPRGKRZSA-N 1 2 337.370 3.241 20 30 EGEDLO C#C[C@@H](NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C(C)(C)C ZINC000288687995 456102902 /nfs/dbraw/zinc/10/29/02/456102902.db2.gz VIGXQLQBVDQFSB-NVXWUHKLSA-N 1 2 342.487 3.156 20 30 EGEDLO C#C[C@H](NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C(C)(C)C ZINC000288688001 456103217 /nfs/dbraw/zinc/10/32/17/456103217.db2.gz VIGXQLQBVDQFSB-RDJZCZTQSA-N 1 2 342.487 3.156 20 30 EGEDLO CC(C)(C)n1cc(C#N)c(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000289296306 456120824 /nfs/dbraw/zinc/12/08/24/456120824.db2.gz UVMXJYJRLNFOGI-UHFFFAOYSA-N 1 2 348.410 3.007 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289446366 456125503 /nfs/dbraw/zinc/12/55/03/456125503.db2.gz WZIRERDKWDYHOM-RTBURBONSA-N 1 2 335.407 3.047 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289446366 456125511 /nfs/dbraw/zinc/12/55/11/456125511.db2.gz WZIRERDKWDYHOM-RTBURBONSA-N 1 2 335.407 3.047 20 30 EGEDLO CCOc1c(Br)cc(C[N@H+](C)C[C@@H](C)C#N)cc1OC ZINC000271128698 456135580 /nfs/dbraw/zinc/13/55/80/456135580.db2.gz MSZFIMACQVBPQL-NSHDSACASA-N 1 2 341.249 3.448 20 30 EGEDLO CCOc1c(Br)cc(C[N@@H+](C)C[C@@H](C)C#N)cc1OC ZINC000271128698 456135589 /nfs/dbraw/zinc/13/55/89/456135589.db2.gz MSZFIMACQVBPQL-NSHDSACASA-N 1 2 341.249 3.448 20 30 EGEDLO CCc1nnc(C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)s1 ZINC000289684302 456136764 /nfs/dbraw/zinc/13/67/64/456136764.db2.gz CPRWENKJSQMQGK-UHFFFAOYSA-N 1 2 346.456 3.081 20 30 EGEDLO C=CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)c1nc2c(s1)CCCC2 ZINC000333160970 456169986 /nfs/dbraw/zinc/16/99/86/456169986.db2.gz HGPSLJYRBDPRAN-CYBMUJFWSA-N 1 2 342.468 3.000 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cnn(C)c1C(F)(F)F ZINC000352790245 456311066 /nfs/dbraw/zinc/31/10/66/456311066.db2.gz DZETYCRZQUSHGU-UHFFFAOYSA-N 1 2 343.349 3.103 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cnn(C)c1C(F)(F)F ZINC000352790245 456311073 /nfs/dbraw/zinc/31/10/73/456311073.db2.gz DZETYCRZQUSHGU-UHFFFAOYSA-N 1 2 343.349 3.103 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2c2nc3ccccc3o2)C1=O ZINC000337171682 456333187 /nfs/dbraw/zinc/33/31/87/456333187.db2.gz DYEPHSLGZALESQ-JKSUJKDBSA-N 1 2 325.412 3.142 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2c2nc3ccccc3o2)C1=O ZINC000337171682 456333190 /nfs/dbraw/zinc/33/31/90/456333190.db2.gz DYEPHSLGZALESQ-JKSUJKDBSA-N 1 2 325.412 3.142 20 30 EGEDLO CC[N@H+](Cc1cccc(C#N)c1F)[C@H]1CCN(c2ccccc2)C1=O ZINC000352872442 456380085 /nfs/dbraw/zinc/38/00/85/456380085.db2.gz DOJYUAGBSKHOBG-SFHVURJKSA-N 1 2 337.398 3.325 20 30 EGEDLO CC[N@@H+](Cc1cccc(C#N)c1F)[C@H]1CCN(c2ccccc2)C1=O ZINC000352872442 456380088 /nfs/dbraw/zinc/38/00/88/456380088.db2.gz DOJYUAGBSKHOBG-SFHVURJKSA-N 1 2 337.398 3.325 20 30 EGEDLO Cc1cccc(C[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)c1C ZINC000298186561 456384628 /nfs/dbraw/zinc/38/46/28/456384628.db2.gz ARJAHIXTXJSEFP-UHFFFAOYSA-N 1 2 342.464 3.081 20 30 EGEDLO Cc1cccc(C[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)c1C ZINC000298186561 456384639 /nfs/dbraw/zinc/38/46/39/456384639.db2.gz ARJAHIXTXJSEFP-UHFFFAOYSA-N 1 2 342.464 3.081 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H]1CCCN(C(C)C)C1=O ZINC000352904465 456403420 /nfs/dbraw/zinc/40/34/20/456403420.db2.gz USXVAAONTQQACV-SFHVURJKSA-N 1 2 332.492 3.242 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H]1CCCN(C(C)C)C1=O ZINC000352904465 456403422 /nfs/dbraw/zinc/40/34/22/456403422.db2.gz USXVAAONTQQACV-SFHVURJKSA-N 1 2 332.492 3.242 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)N(CC(C)C)C1CC1)Cc1cnn(C(C)C)c1 ZINC000352904933 456404187 /nfs/dbraw/zinc/40/41/87/456404187.db2.gz VUGMMADKUNJDBY-UHFFFAOYSA-N 1 2 346.519 3.489 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)N(CC(C)C)C1CC1)Cc1cnn(C(C)C)c1 ZINC000352904933 456404194 /nfs/dbraw/zinc/40/41/94/456404194.db2.gz VUGMMADKUNJDBY-UHFFFAOYSA-N 1 2 346.519 3.489 20 30 EGEDLO N#Cc1ccc(C2=CC[N@H+](Cc3cn(-c4ccccc4)nn3)CC2)cc1 ZINC000347958154 456428683 /nfs/dbraw/zinc/42/86/83/456428683.db2.gz NNRWNPKWVCHVQP-UHFFFAOYSA-N 1 2 341.418 3.428 20 30 EGEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3cn(-c4ccccc4)nn3)CC2)cc1 ZINC000347958154 456428690 /nfs/dbraw/zinc/42/86/90/456428690.db2.gz NNRWNPKWVCHVQP-UHFFFAOYSA-N 1 2 341.418 3.428 20 30 EGEDLO COc1ccc(F)cc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000337640591 456447776 /nfs/dbraw/zinc/44/77/76/456447776.db2.gz XNCQPYZKCQXGTK-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1nnc2ccccn21 ZINC000348197899 456530964 /nfs/dbraw/zinc/53/09/64/456530964.db2.gz GZPSOMTYAONINR-NSHDSACASA-N 1 2 343.337 3.053 20 30 EGEDLO C#Cc1ccccc1CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000291115845 456533925 /nfs/dbraw/zinc/53/39/25/456533925.db2.gz TYFOFZJLZBKTEC-UHFFFAOYSA-N 1 2 347.462 3.149 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000337812332 456563004 /nfs/dbraw/zinc/56/30/04/456563004.db2.gz MDXNRVBTMUARAY-OAHLLOKOSA-N 1 2 339.464 3.447 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000337812331 456563207 /nfs/dbraw/zinc/56/32/07/456563207.db2.gz MDXNRVBTMUARAY-HNNXBMFYSA-N 1 2 339.464 3.447 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCCNc1ncc(Cl)c(C)c1C#N ZINC000343431793 456617091 /nfs/dbraw/zinc/61/70/91/456617091.db2.gz HEUNWXFUQCVZEY-UHFFFAOYSA-N 1 2 339.830 3.497 20 30 EGEDLO Cn1c2ccc(CNC(=O)c3cc(C#N)cs3)cc2[nH+]c1C1CC1 ZINC000282834612 456639048 /nfs/dbraw/zinc/63/90/48/456639048.db2.gz DTZSCMRAQJECDQ-UHFFFAOYSA-N 1 2 336.420 3.314 20 30 EGEDLO Cc1cc([C@@H]2CCCN(C(=O)Nc3ccc4[nH+]c(C)cn4c3)C2)[nH]n1 ZINC000328703859 456740746 /nfs/dbraw/zinc/74/07/46/456740746.db2.gz XZUBPMCGPSKVEG-CQSZACIVSA-N 1 2 338.415 3.099 20 30 EGEDLO Cc1cc([C@@H]2CCCN(C(=O)Nc3ccc4[nH+]c(C)cn4c3)C2)n[nH]1 ZINC000328703859 456740754 /nfs/dbraw/zinc/74/07/54/456740754.db2.gz XZUBPMCGPSKVEG-CQSZACIVSA-N 1 2 338.415 3.099 20 30 EGEDLO Cc1nc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)ccc1C#N ZINC000291769779 456750657 /nfs/dbraw/zinc/75/06/57/456750657.db2.gz BSNXJYKXJCTJGF-UHFFFAOYSA-N 1 2 349.463 3.194 20 30 EGEDLO COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(C#N)c1F ZINC000340903378 456750769 /nfs/dbraw/zinc/75/07/69/456750769.db2.gz OHMMDUMPCPFQKX-UHFFFAOYSA-N 1 2 342.370 3.075 20 30 EGEDLO COCC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(C#N)c1F ZINC000340903378 456750777 /nfs/dbraw/zinc/75/07/77/456750777.db2.gz OHMMDUMPCPFQKX-UHFFFAOYSA-N 1 2 342.370 3.075 20 30 EGEDLO C[C@@H]1CCCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000328796723 456763471 /nfs/dbraw/zinc/76/34/71/456763471.db2.gz VCCNSAJYRLTJJA-PBHICJAKSA-N 1 2 346.475 3.259 20 30 EGEDLO C[C@@H]1CCCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000328796723 456763475 /nfs/dbraw/zinc/76/34/75/456763475.db2.gz VCCNSAJYRLTJJA-PBHICJAKSA-N 1 2 346.475 3.259 20 30 EGEDLO N#CCc1ccc(C[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)cc1 ZINC000343674109 456765994 /nfs/dbraw/zinc/76/59/94/456765994.db2.gz AGWYFUMSYHGZFB-UHFFFAOYSA-N 1 2 328.419 3.497 20 30 EGEDLO N#CCc1ccc(C[N@H+]2CCc3c(ncn3-c3ccccc3)C2)cc1 ZINC000343674109 456766005 /nfs/dbraw/zinc/76/60/05/456766005.db2.gz AGWYFUMSYHGZFB-UHFFFAOYSA-N 1 2 328.419 3.497 20 30 EGEDLO Cn1c2c([nH+]c1[C@H]1CCCN1CC(=O)NCC1CCC1)CCCC2 ZINC000328927654 456793790 /nfs/dbraw/zinc/79/37/90/456793790.db2.gz FYWJJCOHZFEKHN-QGZVFWFLSA-N 1 2 330.476 3.192 20 30 EGEDLO N#Cc1cc(F)c(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(F)c1 ZINC000301096967 456795772 /nfs/dbraw/zinc/79/57/72/456795772.db2.gz JDFNNKKXVQHNRD-MRXNPFEDSA-N 1 2 343.377 3.149 20 30 EGEDLO N#Cc1cc(F)c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(F)c1 ZINC000301096967 456795775 /nfs/dbraw/zinc/79/57/75/456795775.db2.gz JDFNNKKXVQHNRD-MRXNPFEDSA-N 1 2 343.377 3.149 20 30 EGEDLO C[C@@H]1CC(=O)CC[C@@H]1C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000328993355 456808452 /nfs/dbraw/zinc/80/84/52/456808452.db2.gz SZVDHMJBKKKEIY-NFAWXSAZSA-N 1 2 331.460 3.457 20 30 EGEDLO N#Cc1cc(F)ccc1NC[C@@H](c1ccc(F)cc1)[NH+]1CCOCC1 ZINC000301166688 456812588 /nfs/dbraw/zinc/81/25/88/456812588.db2.gz DTHHTHCMXHLXEM-IBGZPJMESA-N 1 2 343.377 3.322 20 30 EGEDLO CCC[C@H](NC(=O)C[N@@H+]1CCO[C@]2(CCCOC2)C1)c1ccccc1 ZINC000329074081 456829616 /nfs/dbraw/zinc/82/96/16/456829616.db2.gz PBLBDMOSKOGLFT-AZUAARDMSA-N 1 2 346.471 3.366 20 30 EGEDLO CCC[C@H](NC(=O)C[N@H+]1CCO[C@]2(CCCOC2)C1)c1ccccc1 ZINC000329074081 456829624 /nfs/dbraw/zinc/82/96/24/456829624.db2.gz PBLBDMOSKOGLFT-AZUAARDMSA-N 1 2 346.471 3.366 20 30 EGEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@]3(C)CCCOC3)cn2c1 ZINC000329161193 456844936 /nfs/dbraw/zinc/84/49/36/456844936.db2.gz YVIMAGJFULXGEZ-KRWDZBQOSA-N 1 2 333.457 3.402 20 30 EGEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000353681574 456852194 /nfs/dbraw/zinc/85/21/94/456852194.db2.gz VZGAEMHUJCZWCW-UHFFFAOYSA-N 1 2 331.379 3.426 20 30 EGEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCOc3cc(O)ccc3C2)[C@H]1C ZINC000329206514 456853962 /nfs/dbraw/zinc/85/39/62/456853962.db2.gz YFXOTJXWZSMBOW-KEYYUXOJSA-N 1 2 332.444 3.368 20 30 EGEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCOc3cc(O)ccc3C2)[C@H]1C ZINC000329206514 456853967 /nfs/dbraw/zinc/85/39/67/456853967.db2.gz YFXOTJXWZSMBOW-KEYYUXOJSA-N 1 2 332.444 3.368 20 30 EGEDLO O=C(NCc1cnc2ccccc2c1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329233403 456858494 /nfs/dbraw/zinc/85/84/94/456858494.db2.gz GVEMOUBRQATXDY-IBGZPJMESA-N 1 2 339.439 3.335 20 30 EGEDLO O=C(NCc1cnc2ccccc2c1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329233403 456858497 /nfs/dbraw/zinc/85/84/97/456858497.db2.gz GVEMOUBRQATXDY-IBGZPJMESA-N 1 2 339.439 3.335 20 30 EGEDLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329343557 456876695 /nfs/dbraw/zinc/87/66/95/456876695.db2.gz QCULKMOTHAASCG-PVAVHDDUSA-N 1 2 348.491 3.312 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1C[C@H](C)CC[C@H]1C)C1CCOCC1 ZINC000329417955 456887671 /nfs/dbraw/zinc/88/76/71/456887671.db2.gz DOZSNRKAGHJBDB-BFYDXBDKSA-N 1 2 348.491 3.405 20 30 EGEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCC2(C)CCCCCC2)CC1 ZINC000329432380 456889211 /nfs/dbraw/zinc/88/92/11/456889211.db2.gz ICGPJJPYQZXTFS-UHFFFAOYSA-N 1 2 338.496 3.192 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CC[C@H](C)[C@H]1C)C1CCOCC1 ZINC000329476709 456897215 /nfs/dbraw/zinc/89/72/15/456897215.db2.gz OBROTWVHLAONIL-SQWLQELKSA-N 1 2 334.464 3.015 20 30 EGEDLO CC1(C)CCCc2sc([NH+]=C([O-])N[C@@H]3CCc4[nH+]c[nH]c4C3)nc21 ZINC000329559456 456908622 /nfs/dbraw/zinc/90/86/22/456908622.db2.gz ILQZGQKCCQTQKX-SNVBAGLBSA-N 1 2 345.472 3.364 20 30 EGEDLO N#CC[C@H](CC(=O)N1CC[NH+](Cc2ccco2)CC1)c1ccccc1 ZINC000353891815 456953953 /nfs/dbraw/zinc/95/39/53/456953953.db2.gz JZIQBEKLMHTFIL-GOSISDBHSA-N 1 2 337.423 3.011 20 30 EGEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(C(=O)c3cc4ccccc4s3)CC2)C1 ZINC000339138038 456958770 /nfs/dbraw/zinc/95/87/70/456958770.db2.gz YMRIRLOUGXTSLT-GOEBONIOSA-N 1 2 339.464 3.351 20 30 EGEDLO C=CC[N@@H+](CC(=O)N(C)C1CCCCC1)Cc1cccc(C#N)c1 ZINC000345289770 456973658 /nfs/dbraw/zinc/97/36/58/456973658.db2.gz ROHQVJVHFMELMQ-UHFFFAOYSA-N 1 2 325.456 3.337 20 30 EGEDLO C=CC[N@H+](CC(=O)N(C)C1CCCCC1)Cc1cccc(C#N)c1 ZINC000345289770 456973660 /nfs/dbraw/zinc/97/36/60/456973660.db2.gz ROHQVJVHFMELMQ-UHFFFAOYSA-N 1 2 325.456 3.337 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@H+](Cc1ccco1)Cc1cccc(C)c1 ZINC000345349675 456975724 /nfs/dbraw/zinc/97/57/24/456975724.db2.gz PNUJQFHXPBAEPO-UHFFFAOYSA-N 1 2 339.439 3.352 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@@H+](Cc1ccco1)Cc1cccc(C)c1 ZINC000345349675 456975730 /nfs/dbraw/zinc/97/57/30/456975730.db2.gz PNUJQFHXPBAEPO-UHFFFAOYSA-N 1 2 339.439 3.352 20 30 EGEDLO O=C(Nc1cnc2c(c1)CCCC2)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000330022302 456976028 /nfs/dbraw/zinc/97/60/28/456976028.db2.gz ZHUFRWLKHSUEOU-GOSISDBHSA-N 1 2 329.444 3.192 20 30 EGEDLO O=C(Nc1cnc2c(c1)CCCC2)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000330022302 456976029 /nfs/dbraw/zinc/97/60/29/456976029.db2.gz ZHUFRWLKHSUEOU-GOSISDBHSA-N 1 2 329.444 3.192 20 30 EGEDLO CCc1ccc([C@H](C#N)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000345748149 456990790 /nfs/dbraw/zinc/99/07/90/456990790.db2.gz INIHESKMTZIFIE-FQEVSTJZSA-N 1 2 344.418 3.488 20 30 EGEDLO CCc1ccc([C@@H](C#N)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000345748151 456991304 /nfs/dbraw/zinc/99/13/04/456991304.db2.gz INIHESKMTZIFIE-HXUWFJFHSA-N 1 2 344.418 3.488 20 30 EGEDLO [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+]C[C@@H]1CCCCC(F)(F)C1 ZINC000330202362 457001554 /nfs/dbraw/zinc/00/15/54/457001554.db2.gz ZEUDLJSPFDOCLZ-KGLIPLIRSA-N 1 2 340.418 3.165 20 30 EGEDLO [O-]C(NC[C@@H]1CCCCC(F)(F)C1)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000330202362 457001557 /nfs/dbraw/zinc/00/15/57/457001557.db2.gz ZEUDLJSPFDOCLZ-KGLIPLIRSA-N 1 2 340.418 3.165 20 30 EGEDLO O=C(N[C@H]1CCCSC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000330206970 457002414 /nfs/dbraw/zinc/00/24/14/457002414.db2.gz FSEWEXCEOTVBGV-HNNXBMFYSA-N 1 2 348.516 3.208 20 30 EGEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCCC(F)(F)C2)C[C@@H]1n1cc[nH+]c1 ZINC000330211685 457003732 /nfs/dbraw/zinc/00/37/32/457003732.db2.gz DEKHUPWCWWLNMS-MCIONIFRSA-N 1 2 326.391 3.258 20 30 EGEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CCCC(F)(F)C2)C[C@@H]1n1cc[nH+]c1 ZINC000330211685 457003739 /nfs/dbraw/zinc/00/37/39/457003739.db2.gz DEKHUPWCWWLNMS-MCIONIFRSA-N 1 2 326.391 3.258 20 30 EGEDLO Cc1ccc(F)cc1NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330361763 457035020 /nfs/dbraw/zinc/03/50/20/457035020.db2.gz YTHRWRLFDNLPAE-CZUORRHYSA-N 1 2 332.379 3.114 20 30 EGEDLO COCC1(C#N)CC[NH+]([C@H](C)c2nnc(-c3ccc(C)cc3)o2)CC1 ZINC000341977012 457037651 /nfs/dbraw/zinc/03/76/51/457037651.db2.gz LXDUYKFWZXIPPH-OAHLLOKOSA-N 1 2 340.427 3.358 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000341996033 457049422 /nfs/dbraw/zinc/04/94/22/457049422.db2.gz ROGYAVTYLPVAGG-UHFFFAOYSA-N 1 2 348.244 3.073 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(C(F)F)CC2)c(C#N)c1C ZINC000362736166 457070201 /nfs/dbraw/zinc/07/02/01/457070201.db2.gz SJLYCIOBCZGQGD-SNVBAGLBSA-N 1 2 325.359 3.072 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000359364471 457076891 /nfs/dbraw/zinc/07/68/91/457076891.db2.gz UYOLMYHYTRFMOY-LBPRGKRZSA-N 1 2 344.440 3.383 20 30 EGEDLO Cc1nn(C)c(N2CC[NH+]([C@H](C)c3cccc(Cl)c3)CC2)c1C#N ZINC000349897085 457098987 /nfs/dbraw/zinc/09/89/87/457098987.db2.gz RINOIORPAOGMOL-CQSZACIVSA-N 1 2 343.862 3.137 20 30 EGEDLO Cc1ccc(C(=O)N2CCSC[C@@H]2C#N)cc1Oc1cc[nH+]cc1 ZINC000342102809 457109735 /nfs/dbraw/zinc/10/97/35/457109735.db2.gz HPQUKYVLHZQIBT-HNNXBMFYSA-N 1 2 339.420 3.264 20 30 EGEDLO COc1ccc(C#N)cc1C[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000339444034 457123057 /nfs/dbraw/zinc/12/30/57/457123057.db2.gz BANHTVHBNNVXSW-MRXNPFEDSA-N 1 2 342.361 3.499 20 30 EGEDLO COc1ccc(C#N)cc1C[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000339444034 457123063 /nfs/dbraw/zinc/12/30/63/457123063.db2.gz BANHTVHBNNVXSW-MRXNPFEDSA-N 1 2 342.361 3.499 20 30 EGEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000331506694 457197046 /nfs/dbraw/zinc/19/70/46/457197046.db2.gz QOTHIRCCDBQWFL-UMNHJUIQSA-N 1 2 332.404 3.044 20 30 EGEDLO C=CCC[C@H](C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)c1ccccc1 ZINC000342283639 457211711 /nfs/dbraw/zinc/21/17/11/457211711.db2.gz KNNRPCHMUIJYDG-HOJAQTOUSA-N 1 2 342.483 3.058 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000351419793 457284688 /nfs/dbraw/zinc/28/46/88/457284688.db2.gz QUHPKHPYDZKGIQ-GJZGRUSLSA-N 1 2 347.459 3.078 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000351419793 457284694 /nfs/dbraw/zinc/28/46/94/457284694.db2.gz QUHPKHPYDZKGIQ-GJZGRUSLSA-N 1 2 347.459 3.078 20 30 EGEDLO C[N@@H+]1CC[C@H](Nc2nccc(C#N)c2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000342509089 457341899 /nfs/dbraw/zinc/34/18/99/457341899.db2.gz UUEVSLGRDMISIV-GOEBONIOSA-N 1 2 348.784 3.164 20 30 EGEDLO C[N@H+]1CC[C@H](Nc2nccc(C#N)c2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000342509089 457341906 /nfs/dbraw/zinc/34/19/06/457341906.db2.gz UUEVSLGRDMISIV-GOEBONIOSA-N 1 2 348.784 3.164 20 30 EGEDLO N#CC1(F)CC[NH+](CCOc2ccccc2Br)CC1 ZINC000352464674 457388763 /nfs/dbraw/zinc/38/87/63/457388763.db2.gz VUABWPZQUUBJIE-UHFFFAOYSA-N 1 2 327.197 3.156 20 30 EGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1ccoc1 ZINC000342646167 457426187 /nfs/dbraw/zinc/42/61/87/457426187.db2.gz TVEHIGPZFZVITH-LLVKDONJSA-N 1 2 329.425 3.160 20 30 EGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1ccoc1 ZINC000342646167 457426191 /nfs/dbraw/zinc/42/61/91/457426191.db2.gz TVEHIGPZFZVITH-LLVKDONJSA-N 1 2 329.425 3.160 20 30 EGEDLO C=CCC(C)(C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000352507208 457426721 /nfs/dbraw/zinc/42/67/21/457426721.db2.gz CEHAGKYSEUZHPJ-UHFFFAOYSA-N 1 2 328.372 3.113 20 30 EGEDLO N#CCc1ccc(NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000360949298 457456403 /nfs/dbraw/zinc/45/64/03/457456403.db2.gz IMZFMPGGZSATEC-UHFFFAOYSA-N 1 2 331.379 3.260 20 30 EGEDLO Cc1cc(NCC2(c3cccc(Cl)c3)CCOCC2)c(C#N)c[nH+]1 ZINC000425213728 457463590 /nfs/dbraw/zinc/46/35/90/457463590.db2.gz HVEBHVPIRGEMPR-UHFFFAOYSA-N 1 2 341.842 3.497 20 30 EGEDLO Cc1cc(N2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)c(C#N)c[nH+]1 ZINC000425254241 457472368 /nfs/dbraw/zinc/47/23/68/457472368.db2.gz MUEIZYYZDFWBLD-LBPRGKRZSA-N 1 2 349.360 3.398 20 30 EGEDLO N#Cc1cnc2ccc(Cl)cc2c1NCc1ccn2cc[nH+]c2c1 ZINC000357440545 457527381 /nfs/dbraw/zinc/52/73/81/457527381.db2.gz PVADXQKXNYHSEU-UHFFFAOYSA-N 1 2 333.782 3.442 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000352701178 457540829 /nfs/dbraw/zinc/54/08/29/457540829.db2.gz FTIRFPKKGWSJMA-UHFFFAOYSA-N 1 2 348.472 3.098 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000352701178 457540834 /nfs/dbraw/zinc/54/08/34/457540834.db2.gz FTIRFPKKGWSJMA-UHFFFAOYSA-N 1 2 348.472 3.098 20 30 EGEDLO C#CC[C@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccccc1 ZINC000364354029 457574024 /nfs/dbraw/zinc/57/40/24/457574024.db2.gz NOJBBXQUPAAPSC-ZWKOTPCHSA-N 1 2 343.423 3.398 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000425531607 457586988 /nfs/dbraw/zinc/58/69/88/457586988.db2.gz HVIDTCAJDUULGJ-ZDUSSCGKSA-N 1 2 340.427 3.475 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000425531607 457586991 /nfs/dbraw/zinc/58/69/91/457586991.db2.gz HVIDTCAJDUULGJ-ZDUSSCGKSA-N 1 2 340.427 3.475 20 30 EGEDLO N#CC[C@H](CC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000356410317 457612873 /nfs/dbraw/zinc/61/28/73/457612873.db2.gz PTYUPOKBKRPHDN-IEBWSBKVSA-N 1 2 335.407 3.149 20 30 EGEDLO CC(C)(C)c1ccc2c(c1)C[N@H+]([C@H](C(N)=O)c1ccc(C#N)cc1)CC2 ZINC000358064142 457762538 /nfs/dbraw/zinc/76/25/38/457762538.db2.gz PCRSXYHRGCIZEL-FQEVSTJZSA-N 1 2 347.462 3.440 20 30 EGEDLO CC(C)(C)c1ccc2c(c1)C[N@@H+]([C@H](C(N)=O)c1ccc(C#N)cc1)CC2 ZINC000358064142 457762546 /nfs/dbraw/zinc/76/25/46/457762546.db2.gz PCRSXYHRGCIZEL-FQEVSTJZSA-N 1 2 347.462 3.440 20 30 EGEDLO Cn1c[nH+]cc1CNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000358209770 457861630 /nfs/dbraw/zinc/86/16/30/457861630.db2.gz IRUQGGSKRWVFBS-UHFFFAOYSA-N 1 2 348.431 3.373 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000444223121 457870429 /nfs/dbraw/zinc/87/04/29/457870429.db2.gz HOUNWLROEMULLE-UHFFFAOYSA-N 1 2 346.431 3.209 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000444223121 457870432 /nfs/dbraw/zinc/87/04/32/457870432.db2.gz HOUNWLROEMULLE-UHFFFAOYSA-N 1 2 346.431 3.209 20 30 EGEDLO C#CC[C@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000366794192 457900544 /nfs/dbraw/zinc/90/05/44/457900544.db2.gz FLLKJPQFBWYAMB-IBGZPJMESA-N 1 2 344.418 3.436 20 30 EGEDLO N#CCc1ccc(Oc2ccc(C(=O)Nc3cc[nH+]cc3O)cc2)cc1 ZINC000358322508 457931603 /nfs/dbraw/zinc/93/16/03/457931603.db2.gz CKELOGLAUSXXTR-UHFFFAOYSA-N 1 2 345.358 3.320 20 30 EGEDLO N#Cc1ccc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)c(Br)c1 ZINC000367933462 457999321 /nfs/dbraw/zinc/99/93/21/457999321.db2.gz YDYVUIYFVGJZQA-CQSZACIVSA-N 1 2 331.217 3.381 20 30 EGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cccc(-c2ccccc2)c1 ZINC000434991038 458076467 /nfs/dbraw/zinc/07/64/67/458076467.db2.gz KGRABCRAUVFZCK-UHFFFAOYSA-N 1 2 349.478 3.401 20 30 EGEDLO N#CCC[N@H+](CCN1CCOCC1)Cc1cccc(-c2ccccc2)c1 ZINC000434991038 458076473 /nfs/dbraw/zinc/07/64/73/458076473.db2.gz KGRABCRAUVFZCK-UHFFFAOYSA-N 1 2 349.478 3.401 20 30 EGEDLO N#CCC[N@@H+](CCN1CCOCC1)Cc1cccc(-c2ccccc2)c1 ZINC000434991038 458076481 /nfs/dbraw/zinc/07/64/81/458076481.db2.gz KGRABCRAUVFZCK-UHFFFAOYSA-N 1 2 349.478 3.401 20 30 EGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2ccn(-c3ccccc3)n2)CC1 ZINC000369214227 458125858 /nfs/dbraw/zinc/12/58/58/458125858.db2.gz IVZLTFYMHXJHFI-UHFFFAOYSA-N 1 2 343.434 3.325 20 30 EGEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC000372021179 458164848 /nfs/dbraw/zinc/16/48/48/458164848.db2.gz FOKHMLKCYSPMJD-IBGZPJMESA-N 1 2 333.435 3.072 20 30 EGEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC000372021179 458164854 /nfs/dbraw/zinc/16/48/54/458164854.db2.gz FOKHMLKCYSPMJD-IBGZPJMESA-N 1 2 333.435 3.072 20 30 EGEDLO C=CC[N@@H+](CCC#N)CCc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000428861032 458224145 /nfs/dbraw/zinc/22/41/45/458224145.db2.gz OGGKNJGVBWGEEI-UHFFFAOYSA-N 1 2 341.484 3.096 20 30 EGEDLO C=CC[N@H+](CCC#N)CCc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000428861032 458224155 /nfs/dbraw/zinc/22/41/55/458224155.db2.gz OGGKNJGVBWGEEI-UHFFFAOYSA-N 1 2 341.484 3.096 20 30 EGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000412811570 458285283 /nfs/dbraw/zinc/28/52/83/458285283.db2.gz CBGAOCMGVZKMPK-YZGWKJHDSA-N 1 2 349.478 3.458 20 30 EGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000412811565 458285433 /nfs/dbraw/zinc/28/54/33/458285433.db2.gz CBGAOCMGVZKMPK-MISYRCLQSA-N 1 2 349.478 3.458 20 30 EGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000413556222 458303273 /nfs/dbraw/zinc/30/32/73/458303273.db2.gz ZMFLSAZBSRWLNY-ZWKOTPCHSA-N 1 2 338.455 3.358 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000372520408 458305589 /nfs/dbraw/zinc/30/55/89/458305589.db2.gz GKBWLDFKDUNNNS-IRXDYDNUSA-N 1 2 343.471 3.264 20 30 EGEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(c2cccc(Cl)c2C#N)C1 ZINC000418954919 458377004 /nfs/dbraw/zinc/37/70/04/458377004.db2.gz WYWFFBZGDDCJFW-GOSISDBHSA-N 1 2 349.862 3.112 20 30 EGEDLO N#Cc1csc(C[N@@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c1 ZINC000430091297 458398760 /nfs/dbraw/zinc/39/87/60/458398760.db2.gz WQMRKIOGWQYFCD-UHFFFAOYSA-N 1 2 329.400 3.022 20 30 EGEDLO N#Cc1csc(C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c1 ZINC000430091297 458398763 /nfs/dbraw/zinc/39/87/63/458398763.db2.gz WQMRKIOGWQYFCD-UHFFFAOYSA-N 1 2 329.400 3.022 20 30 EGEDLO C=CCN(C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1)C1CC1 ZINC000373152753 458411653 /nfs/dbraw/zinc/41/16/53/458411653.db2.gz JYAZFMPBOJKHFO-UHFFFAOYSA-N 1 2 328.460 3.322 20 30 EGEDLO C[C@@H]1C[C@]1(C#N)C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000448953980 458417730 /nfs/dbraw/zinc/41/77/30/458417730.db2.gz JPPRJMYKOKGNPJ-FZKQIMNGSA-N 1 2 340.452 3.263 20 30 EGEDLO C[C@@H]1C[C@]1(C#N)C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000448953980 458417734 /nfs/dbraw/zinc/41/77/34/458417734.db2.gz JPPRJMYKOKGNPJ-FZKQIMNGSA-N 1 2 340.452 3.263 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccccc3F)s2)C1=O ZINC000449300753 458422889 /nfs/dbraw/zinc/42/28/89/458422889.db2.gz FMNMGIIGLHGKME-MRXNPFEDSA-N 1 2 345.443 3.168 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccccc3F)s2)C1=O ZINC000449300753 458422895 /nfs/dbraw/zinc/42/28/95/458422895.db2.gz FMNMGIIGLHGKME-MRXNPFEDSA-N 1 2 345.443 3.168 20 30 EGEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422215883 458426621 /nfs/dbraw/zinc/42/66/21/458426621.db2.gz UUBUVZANMPUCCA-UHFFFAOYSA-N 1 2 343.427 3.072 20 30 EGEDLO C=CCC[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(C)cc1)C(=O)OCC ZINC000449661470 458428476 /nfs/dbraw/zinc/42/84/76/458428476.db2.gz ZZEHTIPQQVWVTD-QGZVFWFLSA-N 1 2 327.428 3.373 20 30 EGEDLO C=CCC[C@H]([NH2+]Cc1cn(C)nc1-c1ccc(F)cc1)C(=O)OCC ZINC000449656567 458428602 /nfs/dbraw/zinc/42/86/02/458428602.db2.gz LLHPRKKJVMTTHJ-KRWDZBQOSA-N 1 2 345.418 3.214 20 30 EGEDLO CC(C)([NH2+]Cc1ccc(Cl)cc1C#N)c1nnc2n1CCCC2 ZINC000451403423 458476258 /nfs/dbraw/zinc/47/62/58/458476258.db2.gz MAGQJSGFTOWGAA-UHFFFAOYSA-N 1 2 329.835 3.164 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000437647359 458479319 /nfs/dbraw/zinc/47/93/19/458479319.db2.gz CJCCJZHUQSHRIF-ZRKSWWEUSA-N 1 2 342.483 3.073 20 30 EGEDLO C[C@H](O)c1ncc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000377621483 458505789 /nfs/dbraw/zinc/50/57/89/458505789.db2.gz XGYVVMFQVYNMBD-RRQGHBQHSA-N 1 2 327.453 3.468 20 30 EGEDLO C[C@H](O)c1ncc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000377621483 458505791 /nfs/dbraw/zinc/50/57/91/458505791.db2.gz XGYVVMFQVYNMBD-RRQGHBQHSA-N 1 2 327.453 3.468 20 30 EGEDLO CC(C)(C)Oc1ccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1C#N ZINC000452673934 458505997 /nfs/dbraw/zinc/50/59/97/458505997.db2.gz DOTZTZZTPLYSGF-CYBMUJFWSA-N 1 2 338.411 3.133 20 30 EGEDLO COc1ccc(C#N)cc1C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000437892303 458508223 /nfs/dbraw/zinc/50/82/23/458508223.db2.gz RVUCNYKOMLZSBM-LJQANCHMSA-N 1 2 349.434 3.194 20 30 EGEDLO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000437892303 458508227 /nfs/dbraw/zinc/50/82/27/458508227.db2.gz RVUCNYKOMLZSBM-LJQANCHMSA-N 1 2 349.434 3.194 20 30 EGEDLO C=C(C)C(C)(C)c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000424216288 458585556 /nfs/dbraw/zinc/58/55/56/458585556.db2.gz VUUSCEIHTJADDB-INIZCTEOSA-N 1 2 327.428 3.497 20 30 EGEDLO C=C(C)C(C)(C)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000424216288 458585563 /nfs/dbraw/zinc/58/55/63/458585563.db2.gz VUUSCEIHTJADDB-INIZCTEOSA-N 1 2 327.428 3.497 20 30 EGEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000455914310 458621245 /nfs/dbraw/zinc/62/12/45/458621245.db2.gz GBDGNGDTRHCANV-INIZCTEOSA-N 1 2 349.438 3.058 20 30 EGEDLO C=C(C)[C@H](CC(=O)Nc1ccc2c(c1)[nH+]c(C)n2[C@@H](C)CO)OCC ZINC000456694758 458753480 /nfs/dbraw/zinc/75/34/80/458753480.db2.gz BTFAIYPEKKBCMH-UGSOOPFHSA-N 1 2 345.443 3.208 20 30 EGEDLO CCN1CCN(c2ccc(C(F)(F)F)cc2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000530374789 458757141 /nfs/dbraw/zinc/75/71/41/458757141.db2.gz KPSVOTWMETZPCG-OAHLLOKOSA-N 1 2 349.360 3.183 20 30 EGEDLO C=C(C)COc1cccc(NC(=O)NCc2c[nH+]ccc2OC)c1 ZINC000432849835 458801083 /nfs/dbraw/zinc/80/10/83/458801083.db2.gz BUTWNRFZGBGZQW-UHFFFAOYSA-N 1 2 327.384 3.367 20 30 EGEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000550128446 458884392 /nfs/dbraw/zinc/88/43/92/458884392.db2.gz DIIZYISDFOQWJK-HNNXBMFYSA-N 1 2 342.439 3.400 20 30 EGEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000550128446 458884401 /nfs/dbraw/zinc/88/44/01/458884401.db2.gz DIIZYISDFOQWJK-HNNXBMFYSA-N 1 2 342.439 3.400 20 30 EGEDLO C[NH+](C)Cc1csc(NC(=O)C[C@H](CC#N)c2ccccc2)n1 ZINC000457319470 458920693 /nfs/dbraw/zinc/92/06/93/458920693.db2.gz WXGMKIDMUVVGLK-AWEZNQCLSA-N 1 2 328.441 3.231 20 30 EGEDLO Cc1cccc(Oc2ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc2)c1 ZINC000519757966 459001350 /nfs/dbraw/zinc/00/13/50/459001350.db2.gz CVQZJKNVKKNFFV-SFHVURJKSA-N 1 2 339.439 3.406 20 30 EGEDLO Cc1cccc(Oc2ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc2)c1 ZINC000519757966 459001355 /nfs/dbraw/zinc/00/13/55/459001355.db2.gz CVQZJKNVKKNFFV-SFHVURJKSA-N 1 2 339.439 3.406 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000495958500 459017992 /nfs/dbraw/zinc/01/79/92/459017992.db2.gz WBJACFUNAWUUOA-LJQANCHMSA-N 1 2 347.434 3.434 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000495958500 459017997 /nfs/dbraw/zinc/01/79/97/459017997.db2.gz WBJACFUNAWUUOA-LJQANCHMSA-N 1 2 347.434 3.434 20 30 EGEDLO Cc1cc(N2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000496105192 459069654 /nfs/dbraw/zinc/06/96/54/459069654.db2.gz KVWYQAKYSRNYNW-GOSISDBHSA-N 1 2 330.432 3.003 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(N(CCOC)C(=O)OC(C)(C)C)CC1 ZINC000496155873 459090174 /nfs/dbraw/zinc/09/01/74/459090174.db2.gz QLGNEENFBDUYGL-UHFFFAOYSA-N 1 2 332.872 3.087 20 30 EGEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(SC2CCCC2)cc1 ZINC000567378397 459096227 /nfs/dbraw/zinc/09/62/27/459096227.db2.gz BUJIUAWZIAYDDL-MRXNPFEDSA-N 1 2 333.501 3.340 20 30 EGEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(SC2CCCC2)cc1 ZINC000567378397 459096228 /nfs/dbraw/zinc/09/62/28/459096228.db2.gz BUJIUAWZIAYDDL-MRXNPFEDSA-N 1 2 333.501 3.340 20 30 EGEDLO CC#CCN(C)C(=O)c1ccc(OCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000567388520 459098770 /nfs/dbraw/zinc/09/87/70/459098770.db2.gz XHOZELNDQPQEPU-UHFFFAOYSA-N 1 2 347.418 3.317 20 30 EGEDLO C=CC[N@@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)Cc1cccc(C#N)c1 ZINC000521091006 459119980 /nfs/dbraw/zinc/11/99/80/459119980.db2.gz BNHHPCVFMHDOMP-SQGPQFPESA-N 1 2 339.483 3.487 20 30 EGEDLO C=CC[N@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)Cc1cccc(C#N)c1 ZINC000521091006 459119989 /nfs/dbraw/zinc/11/99/89/459119989.db2.gz BNHHPCVFMHDOMP-SQGPQFPESA-N 1 2 339.483 3.487 20 30 EGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc[nH+]c(C)c1 ZINC000479052565 459120447 /nfs/dbraw/zinc/12/04/47/459120447.db2.gz JXPCREGONQOPTD-UHFFFAOYSA-N 1 2 327.432 3.200 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C1 ZINC000594660884 459123416 /nfs/dbraw/zinc/12/34/16/459123416.db2.gz SGPXMNHXDLHJTA-DNVCBOLYSA-N 1 2 347.418 3.097 20 30 EGEDLO N#CC[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C1 ZINC000594660884 459123420 /nfs/dbraw/zinc/12/34/20/459123420.db2.gz SGPXMNHXDLHJTA-DNVCBOLYSA-N 1 2 347.418 3.097 20 30 EGEDLO Cc1cc(N2CC[NH+]([C@@H](C)c3ccc(F)cc3F)CC2)cc(C#N)n1 ZINC000578388767 459194020 /nfs/dbraw/zinc/19/40/20/459194020.db2.gz RNUCUNSXNZUPSS-AWEZNQCLSA-N 1 2 342.393 3.423 20 30 EGEDLO C=CCn1c(C2CCCC2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000558674021 459194533 /nfs/dbraw/zinc/19/45/33/459194533.db2.gz NIDACIJBABLMJH-UHFFFAOYSA-N 1 2 341.459 3.037 20 30 EGEDLO C=CC[N@@H+](Cc1cc(=O)n2cccc(C)c2n1)Cc1ccccc1F ZINC000533252053 459208886 /nfs/dbraw/zinc/20/88/86/459208886.db2.gz AHUSUNBJSGUSKC-UHFFFAOYSA-N 1 2 337.398 3.330 20 30 EGEDLO C=CC[N@H+](Cc1cc(=O)n2cccc(C)c2n1)Cc1ccccc1F ZINC000533252053 459208893 /nfs/dbraw/zinc/20/88/93/459208893.db2.gz AHUSUNBJSGUSKC-UHFFFAOYSA-N 1 2 337.398 3.330 20 30 EGEDLO CCCc1csc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000559305033 459250619 /nfs/dbraw/zinc/25/06/19/459250619.db2.gz HEVXSOVPWGHRLQ-HNNXBMFYSA-N 1 2 328.441 3.016 20 30 EGEDLO CCCc1csc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000559305033 459250622 /nfs/dbraw/zinc/25/06/22/459250622.db2.gz HEVXSOVPWGHRLQ-HNNXBMFYSA-N 1 2 328.441 3.016 20 30 EGEDLO COc1ccc(C[N@H+](C)[C@@H](C)c2nc(C)no2)cc1OCCCC#N ZINC000568253194 459258066 /nfs/dbraw/zinc/25/80/66/459258066.db2.gz HKTPHVKQMLVYCV-ZDUSSCGKSA-N 1 2 344.415 3.262 20 30 EGEDLO COc1ccc(C[N@@H+](C)[C@@H](C)c2nc(C)no2)cc1OCCCC#N ZINC000568253194 459258072 /nfs/dbraw/zinc/25/80/72/459258072.db2.gz HKTPHVKQMLVYCV-ZDUSSCGKSA-N 1 2 344.415 3.262 20 30 EGEDLO C[C@H]1c2c(F)cccc2CC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000523449347 459305535 /nfs/dbraw/zinc/30/55/35/459305535.db2.gz GKKCOSNCWGXFNF-HNNXBMFYSA-N 1 2 343.446 3.430 20 30 EGEDLO C[C@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000523449347 459305536 /nfs/dbraw/zinc/30/55/36/459305536.db2.gz GKKCOSNCWGXFNF-HNNXBMFYSA-N 1 2 343.446 3.430 20 30 EGEDLO C=CCOC[C@H]([NH2+][C@H]1CCC[C@H]1c1ccc(Cl)cc1)C(=O)OC ZINC000482432904 459307207 /nfs/dbraw/zinc/30/72/07/459307207.db2.gz CGDTVDZPOGUVNT-ULQDDVLXSA-N 1 2 337.847 3.310 20 30 EGEDLO C=CCCSCCNC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000595457893 459309183 /nfs/dbraw/zinc/30/91/83/459309183.db2.gz FZEVMWMWOZIIQM-UHFFFAOYSA-N 1 2 346.500 3.343 20 30 EGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000560405742 459338914 /nfs/dbraw/zinc/33/89/14/459338914.db2.gz RCFDHTOJWICLOK-DOMZBBRYSA-N 1 2 339.399 3.369 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(CC#N)cc1)c1ccccc1 ZINC000535337604 459355437 /nfs/dbraw/zinc/35/54/37/459355437.db2.gz XHXOAHUPZPJAPZ-GOSISDBHSA-N 1 2 330.391 3.006 20 30 EGEDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000539887186 459379904 /nfs/dbraw/zinc/37/99/04/459379904.db2.gz SXDKCZJYNWOYDM-CABCVRRESA-N 1 2 343.446 3.476 20 30 EGEDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000539887186 459379906 /nfs/dbraw/zinc/37/99/06/459379906.db2.gz SXDKCZJYNWOYDM-CABCVRRESA-N 1 2 343.446 3.476 20 30 EGEDLO C=CC[C@@H](C(=O)NCC1CC[NH+](CC(F)F)CC1)c1ccccc1 ZINC000569237029 459420295 /nfs/dbraw/zinc/42/02/95/459420295.db2.gz AAKPOMIAOARJQD-QGZVFWFLSA-N 1 2 336.426 3.440 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3c(F)cccc3F)CC2)cc1F ZINC000592132994 459531748 /nfs/dbraw/zinc/53/17/48/459531748.db2.gz IDKVSUFYHLVJCF-UHFFFAOYSA-N 1 2 331.341 3.298 20 30 EGEDLO C=CCCCCCNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000570105189 459552375 /nfs/dbraw/zinc/55/23/75/459552375.db2.gz XFKKZWXMACUAIC-UHFFFAOYSA-N 1 2 326.444 3.477 20 30 EGEDLO CCOc1ccc(N(CCC#N)C(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000570806935 459560717 /nfs/dbraw/zinc/56/07/17/459560717.db2.gz PGDLJHKJDLXKJS-OAHLLOKOSA-N 1 2 326.400 3.180 20 30 EGEDLO C[NH+](C)[C@@H](CNC(=O)[C@]1(C#N)CC12CCCC2)c1c(F)cccc1F ZINC000571867172 459573859 /nfs/dbraw/zinc/57/38/59/459573859.db2.gz DNMJNHDUBXXDON-HNAYVOBHSA-N 1 2 347.409 3.158 20 30 EGEDLO N#CCCC1CCN(c2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000572116123 459576296 /nfs/dbraw/zinc/57/62/96/459576296.db2.gz LDSNPEUMAVFHJI-UHFFFAOYSA-N 1 2 332.411 3.336 20 30 EGEDLO CC[C@@H](CC#N)[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000572659641 459582419 /nfs/dbraw/zinc/58/24/19/459582419.db2.gz LOFABRUZERSMSN-IINYFYTJSA-N 1 2 326.227 3.381 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1cnnn1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000491627559 459642181 /nfs/dbraw/zinc/64/21/81/459642181.db2.gz MLMQMDBVVZFRCG-LJQANCHMSA-N 1 2 336.826 3.444 20 30 EGEDLO C#CC[N@@H+](Cn1ncn(CC(F)(F)F)c1=S)C1CCCCC1 ZINC000491652285 459647257 /nfs/dbraw/zinc/64/72/57/459647257.db2.gz LSJFYFGBTXUVBF-UHFFFAOYSA-N 1 2 332.395 3.202 20 30 EGEDLO C#CC[N@H+](Cn1ncn(CC(F)(F)F)c1=S)C1CCCCC1 ZINC000491652285 459647261 /nfs/dbraw/zinc/64/72/61/459647261.db2.gz LSJFYFGBTXUVBF-UHFFFAOYSA-N 1 2 332.395 3.202 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000491740010 459664281 /nfs/dbraw/zinc/66/42/81/459664281.db2.gz DHMFVFVPXGEVSK-QGZVFWFLSA-N 1 2 333.840 3.208 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000596591262 459688013 /nfs/dbraw/zinc/68/80/13/459688013.db2.gz JITATRXLQFCOFD-NVXWUHKLSA-N 1 2 340.471 3.196 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000596591262 459688018 /nfs/dbraw/zinc/68/80/18/459688018.db2.gz JITATRXLQFCOFD-NVXWUHKLSA-N 1 2 340.471 3.196 20 30 EGEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000563546844 459766764 /nfs/dbraw/zinc/76/67/64/459766764.db2.gz KMQQJLBLBNGXAQ-QWHCGFSZSA-N 1 2 328.441 3.479 20 30 EGEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000563546844 459766767 /nfs/dbraw/zinc/76/67/67/459766767.db2.gz KMQQJLBLBNGXAQ-QWHCGFSZSA-N 1 2 328.441 3.479 20 30 EGEDLO C[C@H](CC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000593112814 459776473 /nfs/dbraw/zinc/77/64/73/459776473.db2.gz KTQWXHMGMDGTSZ-RISCZKNCSA-N 1 2 336.317 3.234 20 30 EGEDLO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1C[C@H](O)CC1(C#N)CC1 ZINC000528380202 459804785 /nfs/dbraw/zinc/80/47/85/459804785.db2.gz MOKGESCKWCCXMS-CPUCHLNUSA-N 1 2 334.847 3.157 20 30 EGEDLO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1C[C@H](O)CC1(C#N)CC1 ZINC000528380202 459804792 /nfs/dbraw/zinc/80/47/92/459804792.db2.gz MOKGESCKWCCXMS-CPUCHLNUSA-N 1 2 334.847 3.157 20 30 EGEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3F)C2)nc1 ZINC000597129562 459845547 /nfs/dbraw/zinc/84/55/47/459845547.db2.gz LLIZPBJKBRPHTB-ZDUSSCGKSA-N 1 2 333.313 3.024 20 30 EGEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(F)c(F)c3F)C2)nc1 ZINC000597129562 459845551 /nfs/dbraw/zinc/84/55/51/459845551.db2.gz LLIZPBJKBRPHTB-ZDUSSCGKSA-N 1 2 333.313 3.024 20 30 EGEDLO C=C(C)[C@H](Cc1nc(Cc2cn3cccc(C)c3[nH+]2)no1)OCC ZINC000545685341 459846256 /nfs/dbraw/zinc/84/62/56/459846256.db2.gz QLGCECMIXSAADW-HNNXBMFYSA-N 1 2 326.400 3.140 20 30 EGEDLO Cc1cccn2cc(CC(=O)Nc3cc(C#N)ccc3OC(C)C)[nH+]c12 ZINC000608847483 459889764 /nfs/dbraw/zinc/88/97/64/459889764.db2.gz YWMXRQVCDYDXLA-UHFFFAOYSA-N 1 2 348.406 3.483 20 30 EGEDLO C[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602460686 459948417 /nfs/dbraw/zinc/94/84/17/459948417.db2.gz AQWNKBWZXOWOLQ-AWEZNQCLSA-N 1 2 342.393 3.110 20 30 EGEDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2cccc(C#N)n2)CC1 ZINC000602460686 459948423 /nfs/dbraw/zinc/94/84/23/459948423.db2.gz AQWNKBWZXOWOLQ-AWEZNQCLSA-N 1 2 342.393 3.110 20 30 EGEDLO CC[N@H+](CC(=O)N1CCC[C@](C)(C#N)C1)Cc1ccccc1Cl ZINC000588675984 459966088 /nfs/dbraw/zinc/96/60/88/459966088.db2.gz HEBWJUBMWPOQBD-GOSISDBHSA-N 1 2 333.863 3.314 20 30 EGEDLO CC[N@@H+](CC(=O)N1CCC[C@](C)(C#N)C1)Cc1ccccc1Cl ZINC000588675984 459966094 /nfs/dbraw/zinc/96/60/94/459966094.db2.gz HEBWJUBMWPOQBD-GOSISDBHSA-N 1 2 333.863 3.314 20 30 EGEDLO Cc1oc(-c2ccccc2)nc1C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609486629 459969710 /nfs/dbraw/zinc/96/97/10/459969710.db2.gz OAVKWICUBFVRCC-LJQANCHMSA-N 1 2 338.455 3.316 20 30 EGEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000609486009 459970198 /nfs/dbraw/zinc/97/01/98/459970198.db2.gz BQLKAPDMWJHWJJ-MRXNPFEDSA-N 1 2 336.277 3.115 20 30 EGEDLO N#Cc1ccc(Oc2cccc(C(=O)N3CC(n4cc[nH+]c4)C3)c2)cc1 ZINC000609624851 459996930 /nfs/dbraw/zinc/99/69/30/459996930.db2.gz HJVLFUFPQBLEGU-UHFFFAOYSA-N 1 2 344.374 3.244 20 30 EGEDLO COc1ccc(N(C(C)=O)c2nc(C[NH2+]CCCC#N)cs2)cc1 ZINC000602604907 460019382 /nfs/dbraw/zinc/01/93/82/460019382.db2.gz QRSCCSKXGLYNAE-UHFFFAOYSA-N 1 2 344.440 3.230 20 30 EGEDLO Cc1ccccc1-c1nc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)no1 ZINC000602613995 460022392 /nfs/dbraw/zinc/02/23/92/460022392.db2.gz COHIIINBEOLSHG-HNNXBMFYSA-N 1 2 340.427 3.234 20 30 EGEDLO Cc1cc(NC(=O)c2cccc(C#N)n2)c[nH+]c1N1CCCC[C@H]1C ZINC000589458663 460090436 /nfs/dbraw/zinc/09/04/36/460090436.db2.gz IPXNQXYUDJRXDN-CQSZACIVSA-N 1 2 335.411 3.288 20 30 EGEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000602865243 460165428 /nfs/dbraw/zinc/16/54/28/460165428.db2.gz VHUDGBQSFOWFRX-VWYCJHECSA-N 1 2 328.243 3.451 20 30 EGEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000602865242 460165678 /nfs/dbraw/zinc/16/56/78/460165678.db2.gz VHUDGBQSFOWFRX-OUAUKWLOSA-N 1 2 328.243 3.451 20 30 EGEDLO CC[C@]1(CO)CCC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000614599411 460181146 /nfs/dbraw/zinc/18/11/46/460181146.db2.gz DVFWFERQXBXHSR-FQEVSTJZSA-N 1 2 338.455 3.037 20 30 EGEDLO CC[C@]1(CO)CCC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000614599411 460181149 /nfs/dbraw/zinc/18/11/49/460181149.db2.gz DVFWFERQXBXHSR-FQEVSTJZSA-N 1 2 338.455 3.037 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC2(CCSCC2)CC1 ZINC000602953154 460199869 /nfs/dbraw/zinc/19/98/69/460199869.db2.gz WVJJXLIRJZFODX-QGZVFWFLSA-N 1 2 344.480 3.382 20 30 EGEDLO C=C(C)[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(F)c(F)c1 ZINC000576826265 460220885 /nfs/dbraw/zinc/22/08/85/460220885.db2.gz OCCRZUDNJZKXHF-DYVFJYSZSA-N 1 2 331.366 3.157 20 30 EGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cc(O)ccc2Cl)CC1 ZINC000599330060 460230160 /nfs/dbraw/zinc/23/01/60/460230160.db2.gz USVZKEHVNGIZCV-IBGZPJMESA-N 1 2 341.842 3.428 20 30 EGEDLO N#Cc1cc(F)cc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000603081991 460239165 /nfs/dbraw/zinc/23/91/65/460239165.db2.gz PWPCBUOPYKAYGR-UHFFFAOYSA-N 1 2 344.415 3.109 20 30 EGEDLO N#Cc1sccc1N1CC[NH+](Cc2cc(O)ccc2Cl)CC1 ZINC000599463449 460258696 /nfs/dbraw/zinc/25/86/96/460258696.db2.gz WQXMHWPHZISHGZ-UHFFFAOYSA-N 1 2 333.844 3.301 20 30 EGEDLO C=CCC1(NC(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)CCCC1 ZINC000619110824 460272423 /nfs/dbraw/zinc/27/24/23/460272423.db2.gz QBIJOCFFDWUGCW-GFCCVEGCSA-N 1 2 329.366 3.461 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCC(F)(F)CC1 ZINC000599551234 460272606 /nfs/dbraw/zinc/27/26/06/460272606.db2.gz JBCWXUVPQNCFHV-UHFFFAOYSA-N 1 2 327.762 3.271 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCC(F)(F)CC1 ZINC000599551234 460272608 /nfs/dbraw/zinc/27/26/08/460272608.db2.gz JBCWXUVPQNCFHV-UHFFFAOYSA-N 1 2 327.762 3.271 20 30 EGEDLO C[C@H]1CC(F)(F)CC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000599621790 460289955 /nfs/dbraw/zinc/28/99/55/460289955.db2.gz GACGWOOKDRSYPG-LBPRGKRZSA-N 1 2 339.411 3.360 20 30 EGEDLO C[C@H]1CC(F)(F)CC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000599621790 460289958 /nfs/dbraw/zinc/28/99/58/460289958.db2.gz GACGWOOKDRSYPG-LBPRGKRZSA-N 1 2 339.411 3.360 20 30 EGEDLO COCCOCc1cc(C#N)ccc1NCCc1[nH+]cc(C)cc1C ZINC000603400894 460297896 /nfs/dbraw/zinc/29/78/96/460297896.db2.gz DBGCMRUHHXKBKL-UHFFFAOYSA-N 1 2 339.439 3.388 20 30 EGEDLO N#CCCN1CC[NH+](Cc2ncc(-c3cccc(Cl)c3)o2)CC1 ZINC000611175807 460300862 /nfs/dbraw/zinc/30/08/62/460300862.db2.gz MQQMHZUEKFVFHQ-UHFFFAOYSA-N 1 2 330.819 3.026 20 30 EGEDLO Cc1ccnc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC000619295519 460322482 /nfs/dbraw/zinc/32/24/82/460322482.db2.gz RBULFAWSEHZXBN-LJQANCHMSA-N 1 2 340.858 3.426 20 30 EGEDLO CCOc1cc2[nH+]ccc(N3CC[C@@](F)(C#N)C3)c2cc1OCC ZINC000615532188 460342988 /nfs/dbraw/zinc/34/29/88/460342988.db2.gz VXTCVUXZKFYVPH-GOSISDBHSA-N 1 2 329.375 3.474 20 30 EGEDLO Cc1ccc(C#N)nc1N1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000611398888 460355838 /nfs/dbraw/zinc/35/58/38/460355838.db2.gz AQNAIQNWKAVJMF-UHFFFAOYSA-N 1 2 344.821 3.376 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@H]2Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000611466689 460371325 /nfs/dbraw/zinc/37/13/25/460371325.db2.gz RCPWOOSRCWAJQE-LJQANCHMSA-N 1 2 334.423 3.279 20 30 EGEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000611551970 460395387 /nfs/dbraw/zinc/39/53/87/460395387.db2.gz YFHYFAIWPJNCJQ-LJQANCHMSA-N 1 2 327.378 3.347 20 30 EGEDLO C=CCOCC[NH2+]Cc1csc(N(C(C)=O)c2ccccc2)n1 ZINC000638973675 461663453 /nfs/dbraw/zinc/66/34/53/461663453.db2.gz ZDYKGAVQNTWVHE-UHFFFAOYSA-N 1 2 331.441 3.120 20 30 EGEDLO C=CCCn1cc(C[N@H+]2CCSC[C@H]2c2ccc(C)cc2)nn1 ZINC000653557448 461720083 /nfs/dbraw/zinc/72/00/83/461720083.db2.gz VMTBNNWRYJAOSO-SFHVURJKSA-N 1 2 328.485 3.453 20 30 EGEDLO C=CCCn1cc(C[N@@H+]2CCSC[C@H]2c2ccc(C)cc2)nn1 ZINC000653557448 461720090 /nfs/dbraw/zinc/72/00/90/461720090.db2.gz VMTBNNWRYJAOSO-SFHVURJKSA-N 1 2 328.485 3.453 20 30 EGEDLO C=CCCn1cc(C[NH2+]Cc2ccccc2OC(F)(F)F)nn1 ZINC000657294832 462022552 /nfs/dbraw/zinc/02/25/52/462022552.db2.gz GAFNVMZQGVXKEC-UHFFFAOYSA-N 1 2 326.322 3.043 20 30 EGEDLO C=CCCn1cc(C[NH2+][C@H]2CC(C)(C)Oc3ccc(F)cc32)nn1 ZINC000657501111 462158290 /nfs/dbraw/zinc/15/82/90/462158290.db2.gz PJZIRZARZZVAKH-INIZCTEOSA-N 1 2 330.407 3.385 20 30 EGEDLO C=CC[N@@H+](Cc1nc(-c2ccc(OCC)cc2)no1)[C@H](C)COC ZINC000661247647 462169786 /nfs/dbraw/zinc/16/97/86/462169786.db2.gz PZSXOJQRYHUTAW-CQSZACIVSA-N 1 2 331.416 3.158 20 30 EGEDLO C=CC[N@H+](Cc1nc(-c2ccc(OCC)cc2)no1)[C@H](C)COC ZINC000661247647 462169788 /nfs/dbraw/zinc/16/97/88/462169788.db2.gz PZSXOJQRYHUTAW-CQSZACIVSA-N 1 2 331.416 3.158 20 30 EGEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000665405216 462437946 /nfs/dbraw/zinc/43/79/46/462437946.db2.gz ZLVQODNOPWKTAV-CHWSQXEVSA-N 1 2 335.860 3.453 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000042979144 519807510 /nfs/dbraw/zinc/80/75/10/519807510.db2.gz CMWMEMRVEMVMOA-HXUWFJFHSA-N 1 2 339.439 3.336 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000042979144 519807511 /nfs/dbraw/zinc/80/75/11/519807511.db2.gz CMWMEMRVEMVMOA-HXUWFJFHSA-N 1 2 339.439 3.336 20 30 EGEDLO C[C@@H]1CN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CC(C)(C)C1 ZINC000329492896 547499506 /nfs/dbraw/zinc/49/95/06/547499506.db2.gz UDJMEOWNOAAKHJ-GOEBONIOSA-N 1 2 348.491 3.170 20 30 EGEDLO COc1ccc2c(c1NC(=O)N1CCC[C@@H](c3[nH]cc[nH+]3)C1)CCC2 ZINC000330128055 547513577 /nfs/dbraw/zinc/51/35/77/547513577.db2.gz NICONINKALEORW-CQSZACIVSA-N 1 2 340.427 3.332 20 30 EGEDLO C=C(CNC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000673195620 548538174 /nfs/dbraw/zinc/53/81/74/548538174.db2.gz CJPCDVBJDQEVRH-UHFFFAOYSA-N 1 2 341.480 3.289 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674464203 548755305 /nfs/dbraw/zinc/75/53/05/548755305.db2.gz XMPXDMCZCWYTJO-PHIMTYICSA-N 1 2 346.315 3.084 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674464203 548755309 /nfs/dbraw/zinc/75/53/09/548755309.db2.gz XMPXDMCZCWYTJO-PHIMTYICSA-N 1 2 346.315 3.084 20 30 EGEDLO CCN1C[C@@H](C[N@H+](C)Cc2ccc(F)cc2C#N)Oc2ccccc21 ZINC000728569310 574758816 /nfs/dbraw/zinc/75/88/16/574758816.db2.gz ISVDTNJJNBFCCG-GOSISDBHSA-N 1 2 339.414 3.417 20 30 EGEDLO CCN1C[C@@H](C[N@@H+](C)Cc2ccc(F)cc2C#N)Oc2ccccc21 ZINC000728569310 574758818 /nfs/dbraw/zinc/75/88/18/574758818.db2.gz ISVDTNJJNBFCCG-GOSISDBHSA-N 1 2 339.414 3.417 20 30 EGEDLO C#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)cn1 ZINC000728857706 574778137 /nfs/dbraw/zinc/77/81/37/574778137.db2.gz VYCQYGSKAAATKM-UHFFFAOYSA-N 1 2 347.462 3.144 20 30 EGEDLO CCOc1ccc([N+](=O)[O-])cc1C=NNc1cc[nH+]c2ccccc12 ZINC000730148381 574925916 /nfs/dbraw/zinc/92/59/16/574925916.db2.gz RYIHEGFWFZXPNL-UHFFFAOYSA-N 1 2 336.351 3.410 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 ZINC000731231400 575061772 /nfs/dbraw/zinc/06/17/72/575061772.db2.gz NZYQWCBJDPFBDR-INIZCTEOSA-N 1 2 339.439 3.453 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 ZINC000731231400 575061773 /nfs/dbraw/zinc/06/17/73/575061773.db2.gz NZYQWCBJDPFBDR-INIZCTEOSA-N 1 2 339.439 3.453 20 30 EGEDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1nc2ccccc2s1 ZINC000734506221 575503939 /nfs/dbraw/zinc/50/39/39/575503939.db2.gz LJIZVUWMJLILAB-ZBEGNZNMSA-N 1 2 336.420 3.045 20 30 EGEDLO CCCCCCC[N@@H+]1CCNC(=O)[C@H]1c1c(C)nc2ccccn21 ZINC000740877184 576632857 /nfs/dbraw/zinc/63/28/57/576632857.db2.gz FLPLGKRTTFNGET-GOSISDBHSA-N 1 2 328.460 3.086 20 30 EGEDLO CCCCCCC[N@H+]1CCNC(=O)[C@H]1c1c(C)nc2ccccn21 ZINC000740877184 576632858 /nfs/dbraw/zinc/63/28/58/576632858.db2.gz FLPLGKRTTFNGET-GOSISDBHSA-N 1 2 328.460 3.086 20 30 EGEDLO C[C@@H](C(=O)OCc1ccc(F)cc1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000740988301 576643758 /nfs/dbraw/zinc/64/37/58/576643758.db2.gz XXWSLMBBIQKMDK-AWEZNQCLSA-N 1 2 338.382 3.187 20 30 EGEDLO C[C@@H](C(=O)OCc1ccc(F)cc1C#N)[N@H+]1CCc2ccccc2C1 ZINC000740988301 576643759 /nfs/dbraw/zinc/64/37/59/576643759.db2.gz XXWSLMBBIQKMDK-AWEZNQCLSA-N 1 2 338.382 3.187 20 30 EGEDLO CC[N@H+](C)[C@@H](C(=O)OCc1ccc(F)cc1C#N)c1ccccc1 ZINC000745099029 576841112 /nfs/dbraw/zinc/84/11/12/576841112.db2.gz GDLNSEXZUHRFSD-GOSISDBHSA-N 1 2 326.371 3.434 20 30 EGEDLO CC[N@@H+](C)[C@@H](C(=O)OCc1ccc(F)cc1C#N)c1ccccc1 ZINC000745099029 576841113 /nfs/dbraw/zinc/84/11/13/576841113.db2.gz GDLNSEXZUHRFSD-GOSISDBHSA-N 1 2 326.371 3.434 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(-c2nn[nH]n2)ccc1OC ZINC000825107590 607636591 /nfs/dbraw/zinc/63/65/91/607636591.db2.gz RDJCCRPYIUQAFF-UHFFFAOYSA-N 1 2 342.447 3.027 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(-c2nn[nH]n2)ccc1OC ZINC000825107590 607636593 /nfs/dbraw/zinc/63/65/93/607636593.db2.gz RDJCCRPYIUQAFF-UHFFFAOYSA-N 1 2 342.447 3.027 20 30 EGEDLO C=CC[N@H+](Cc1cccs1)Cc1ccc(-c2nn[nH]n2)cc1OC ZINC000823919963 608352398 /nfs/dbraw/zinc/35/23/98/608352398.db2.gz USVFINUKHKFMIC-UHFFFAOYSA-N 1 2 341.440 3.125 20 30 EGEDLO C=CC[N@@H+](Cc1cccs1)Cc1ccc(-c2nn[nH]n2)cc1OC ZINC000823919963 608352399 /nfs/dbraw/zinc/35/23/99/608352399.db2.gz USVFINUKHKFMIC-UHFFFAOYSA-N 1 2 341.440 3.125 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cccc(OC(F)F)c2)c1 ZINC000050960724 1291660652 /nfs/dbraw/zinc/66/06/52/1291660652.db2.gz VJOVESAFGFJQNF-UHFFFAOYSA-N 1 2 344.361 3.340 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cccc(OC(F)F)c2)c1 ZINC000050960724 1291660660 /nfs/dbraw/zinc/66/06/60/1291660660.db2.gz VJOVESAFGFJQNF-UHFFFAOYSA-N 1 2 344.361 3.340 20 30 EGEDLO CCCCCCCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000831798768 1292920869 /nfs/dbraw/zinc/92/08/69/1292920869.db2.gz RHGOQXJPNNZPHP-LJQANCHMSA-N 1 2 332.488 3.364 20 30 EGEDLO CCCCCCCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000831798768 1292920877 /nfs/dbraw/zinc/92/08/77/1292920877.db2.gz RHGOQXJPNNZPHP-LJQANCHMSA-N 1 2 332.488 3.364 20 30 EGEDLO C[C@H](O[NH+]=C(N)Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1 ZINC000106067318 1293047801 /nfs/dbraw/zinc/04/78/01/1293047801.db2.gz NGHHQJOHCDWCKZ-LBPRGKRZSA-N 1 2 331.803 3.199 20 30 EGEDLO C#CCCCCCOC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835277489 1293250791 /nfs/dbraw/zinc/25/07/91/1293250791.db2.gz ICLCWQWBFBUKHO-UHFFFAOYSA-N 1 2 327.340 3.131 20 30 EGEDLO Oc1ccc(Br)cc1/C=N/[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000133113926 1293737088 /nfs/dbraw/zinc/73/70/88/1293737088.db2.gz UWDCXNHRXVLFDH-FVOVHSBVSA-N 1 2 346.228 3.248 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[NH+](CCC)CCC)c1=S ZINC000151761093 1293936882 /nfs/dbraw/zinc/93/68/82/1293936882.db2.gz LPWLVSHYPBHIPX-UHFFFAOYSA-N 1 2 332.477 3.137 20 30 EGEDLO C[C@H](C#N)Oc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000154476222 1294057090 /nfs/dbraw/zinc/05/70/90/1294057090.db2.gz WYWBRLYXDRNFRF-GOSISDBHSA-N 1 2 335.451 3.295 20 30 EGEDLO N#Cc1ccc(O)c(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000179729008 1294820421 /nfs/dbraw/zinc/82/04/21/1294820421.db2.gz VIYUBSVJJUOJBJ-SFHVURJKSA-N 1 2 335.407 3.257 20 30 EGEDLO N#Cc1ccc(O)c(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000179729008 1294820430 /nfs/dbraw/zinc/82/04/30/1294820430.db2.gz VIYUBSVJJUOJBJ-SFHVURJKSA-N 1 2 335.407 3.257 20 30 EGEDLO N#CCOc1ccccc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000194185423 1295953601 /nfs/dbraw/zinc/95/36/01/1295953601.db2.gz SKDNLGYKRXPTPY-UHFFFAOYSA-N 1 2 336.326 3.166 20 30 EGEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ncc(Br)s1 ZINC000255577103 1296549035 /nfs/dbraw/zinc/54/90/35/1296549035.db2.gz LVFLSYGINMGVRE-PLNGDYQASA-N 1 2 334.198 3.449 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+]2Cc3ccccc3N(C)C[C@@H]2C)c1C#N ZINC000535208873 1297997112 /nfs/dbraw/zinc/99/71/12/1297997112.db2.gz XYQXHZHUMRAYRM-HNNXBMFYSA-N 1 2 349.434 3.185 20 30 EGEDLO COC(=O)c1cccc(C[N@H+]2Cc3ccccc3N(C)C[C@@H]2C)c1C#N ZINC000535208873 1297997123 /nfs/dbraw/zinc/99/71/23/1297997123.db2.gz XYQXHZHUMRAYRM-HNNXBMFYSA-N 1 2 349.434 3.185 20 30 EGEDLO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000746456687 1298591033 /nfs/dbraw/zinc/59/10/33/1298591033.db2.gz FFAYPLSHKRBCJY-CYBMUJFWSA-N 1 2 329.469 3.171 20 30 EGEDLO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000746456687 1298591040 /nfs/dbraw/zinc/59/10/40/1298591040.db2.gz FFAYPLSHKRBCJY-CYBMUJFWSA-N 1 2 329.469 3.171 20 30 EGEDLO COc1cc([N+](=O)[O-])ccc1N=NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000746681103 1298639363 /nfs/dbraw/zinc/63/93/63/1298639363.db2.gz FQQMFLDIBMFAKQ-UHFFFAOYSA-N 1 2 337.339 3.235 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccc(O)cc1)Cc1ccc(OC)cc1 ZINC000747524747 1298793646 /nfs/dbraw/zinc/79/36/46/1298793646.db2.gz PRTSCKMMIIFHRQ-UHFFFAOYSA-N 1 2 326.396 3.028 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(O)cc1)Cc1ccc(OC)cc1 ZINC000747524747 1298793654 /nfs/dbraw/zinc/79/36/54/1298793654.db2.gz PRTSCKMMIIFHRQ-UHFFFAOYSA-N 1 2 326.396 3.028 20 30 EGEDLO Cn1c[nH+]cc1COC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000747783932 1298859737 /nfs/dbraw/zinc/85/97/37/1298859737.db2.gz QYNTUSMOTUGMBM-UHFFFAOYSA-N 1 2 347.374 3.228 20 30 EGEDLO C#CC[N@@H+](CC)CC(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1 ZINC000749159891 1299156283 /nfs/dbraw/zinc/15/62/83/1299156283.db2.gz NUOHWRGILRPLKF-UHFFFAOYSA-N 1 2 343.452 3.021 20 30 EGEDLO C#CC[N@H+](CC)CC(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1 ZINC000749159891 1299156287 /nfs/dbraw/zinc/15/62/87/1299156287.db2.gz NUOHWRGILRPLKF-UHFFFAOYSA-N 1 2 343.452 3.021 20 30 EGEDLO Fc1ccccc1-c1ccc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)o1 ZINC000753940751 1300049060 /nfs/dbraw/zinc/04/90/60/1300049060.db2.gz VJHVCSBTOURAOB-HOTGVXAUSA-N 1 2 326.375 3.280 20 30 EGEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCO[C@@H](C(C)(C)C)C1)c1ccccc1 ZINC000878532683 1300054903 /nfs/dbraw/zinc/05/49/03/1300054903.db2.gz YDNHZUGYKKULCC-UYAOXDASSA-N 1 2 328.456 3.174 20 30 EGEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCO[C@@H](C(C)(C)C)C1)c1ccccc1 ZINC000878532683 1300054913 /nfs/dbraw/zinc/05/49/13/1300054913.db2.gz YDNHZUGYKKULCC-UYAOXDASSA-N 1 2 328.456 3.174 20 30 EGEDLO C=CCc1cc(OC)cc(C[N@@H+]2C[C@@H](C)O[C@H](C(F)(F)F)C2)c1O ZINC000754736392 1300204280 /nfs/dbraw/zinc/20/42/80/1300204280.db2.gz KDHZFVRSXHXIHX-ABAIWWIYSA-N 1 2 345.361 3.281 20 30 EGEDLO C=CCc1cc(OC)cc(C[N@H+]2C[C@@H](C)O[C@H](C(F)(F)F)C2)c1O ZINC000754736392 1300204286 /nfs/dbraw/zinc/20/42/86/1300204286.db2.gz KDHZFVRSXHXIHX-ABAIWWIYSA-N 1 2 345.361 3.281 20 30 EGEDLO C#CC[C@@H](NC(=O)NCCc1cn2cccc(C)c2[nH+]1)c1ccccc1 ZINC000757035877 1300619037 /nfs/dbraw/zinc/61/90/37/1300619037.db2.gz OXSFKZPDXDPDOC-LJQANCHMSA-N 1 2 346.434 3.249 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(C(C)(C)O)CC1 ZINC000879626838 1300634954 /nfs/dbraw/zinc/63/49/54/1300634954.db2.gz OWBIXIJPFMFFMB-UHFFFAOYSA-N 1 2 348.512 3.386 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000758034106 1300775730 /nfs/dbraw/zinc/77/57/30/1300775730.db2.gz DOWRNHVDIOWMGV-CVEARBPZSA-N 1 2 340.427 3.017 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2cccc3cc[nH]c32)[C@@H](C#N)C1 ZINC000758034109 1300776332 /nfs/dbraw/zinc/77/63/32/1300776332.db2.gz DOWRNHVDIOWMGV-HOTGVXAUSA-N 1 2 340.427 3.017 20 30 EGEDLO CCN(CCO)c1ccc(C=[NH+]Nc2ccc(F)cc2OC)c(C)c1 ZINC000761891040 1301562603 /nfs/dbraw/zinc/56/26/03/1301562603.db2.gz UIEWHHJQGWSHTI-UHFFFAOYSA-N 1 2 345.418 3.407 20 30 EGEDLO CCOc1ccc(/C=[NH+]\CC2CN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000762436007 1301678724 /nfs/dbraw/zinc/67/87/24/1301678724.db2.gz JBMWFQRAFKSIOO-GRSHGNNSSA-N 1 2 334.416 3.077 20 30 EGEDLO CCN(CC)c1ccnc(N=NC(C)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000762606711 1301711713 /nfs/dbraw/zinc/71/17/13/1301711713.db2.gz CVTWXUCPXBSIIW-UHFFFAOYSA-N 1 2 349.442 3.345 20 30 EGEDLO C#CCOc1ccc([C@H](C)[NH2+]Cc2n[nH]cc2Br)cc1 ZINC000766084666 1302385223 /nfs/dbraw/zinc/38/52/23/1302385223.db2.gz NLYLQXUNZOHSLY-NSHDSACASA-N 1 2 334.217 3.035 20 30 EGEDLO C(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1ccc(Sc2ccccn2)o1 ZINC000766452251 1302456076 /nfs/dbraw/zinc/45/60/76/1302456076.db2.gz DNGZXCZWPNNZOR-OKILXGFUSA-N 1 2 341.440 3.020 20 30 EGEDLO C[C@@H]1CC(=NNc2cnnc(O)c2Cl)C[N@@H+](Cc2ccccc2)C1 ZINC000767362358 1302650201 /nfs/dbraw/zinc/65/02/01/1302650201.db2.gz WEPHTLNHRZRYFQ-GFCCVEGCSA-N 1 2 345.834 3.146 20 30 EGEDLO C[C@@H]1CC(=NNc2cnnc(O)c2Cl)C[N@H+](Cc2ccccc2)C1 ZINC000767362358 1302650216 /nfs/dbraw/zinc/65/02/16/1302650216.db2.gz WEPHTLNHRZRYFQ-GFCCVEGCSA-N 1 2 345.834 3.146 20 30 EGEDLO C#CCCOc1ccc(C[N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000769327311 1303093285 /nfs/dbraw/zinc/09/32/85/1303093285.db2.gz WMUZTZZZIGTZTE-SFHVURJKSA-N 1 2 329.440 3.395 20 30 EGEDLO C#CCCOc1ccc(C[N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000769327311 1303093291 /nfs/dbraw/zinc/09/32/91/1303093291.db2.gz WMUZTZZZIGTZTE-SFHVURJKSA-N 1 2 329.440 3.395 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000769386618 1303103990 /nfs/dbraw/zinc/10/39/90/1303103990.db2.gz CQFYGEZMYZRFQE-BETUJISGSA-N 1 2 335.473 3.449 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)cs2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000769386618 1303103993 /nfs/dbraw/zinc/10/39/93/1303103993.db2.gz CQFYGEZMYZRFQE-BETUJISGSA-N 1 2 335.473 3.449 20 30 EGEDLO C#CC[N@@H+](CC#CC)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000769452601 1303116042 /nfs/dbraw/zinc/11/60/42/1303116042.db2.gz ZGDCGQLDTJQZAU-UHFFFAOYSA-N 1 2 340.430 3.393 20 30 EGEDLO C#CC[N@H+](CC#CC)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000769452601 1303116048 /nfs/dbraw/zinc/11/60/48/1303116048.db2.gz ZGDCGQLDTJQZAU-UHFFFAOYSA-N 1 2 340.430 3.393 20 30 EGEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000769976166 1303200840 /nfs/dbraw/zinc/20/08/40/1303200840.db2.gz SZPXDYJKECHVMK-CQSZACIVSA-N 1 2 327.453 3.319 20 30 EGEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000769976166 1303200842 /nfs/dbraw/zinc/20/08/42/1303200842.db2.gz SZPXDYJKECHVMK-CQSZACIVSA-N 1 2 327.453 3.319 20 30 EGEDLO Cc1ccccc1[C@H](CO)[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000886433444 1303466292 /nfs/dbraw/zinc/46/62/92/1303466292.db2.gz KCTKMTIXSKYFAU-SFHVURJKSA-N 1 2 348.406 3.082 20 30 EGEDLO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000886433444 1303466293 /nfs/dbraw/zinc/46/62/93/1303466293.db2.gz KCTKMTIXSKYFAU-SFHVURJKSA-N 1 2 348.406 3.082 20 30 EGEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)OCCn1cc[nH+]c1 ZINC000771976330 1303469511 /nfs/dbraw/zinc/46/95/11/1303469511.db2.gz HYDQVTSNJCLRLM-UHFFFAOYSA-N 1 2 340.301 3.324 20 30 EGEDLO C#C[C@H](Cc1ccccc1)OC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000773837720 1303744025 /nfs/dbraw/zinc/74/40/25/1303744025.db2.gz VYFKHYRSVPXCBD-LAUBAEHRSA-N 1 2 333.431 3.221 20 30 EGEDLO C#C[C@H](Cc1ccccc1)OC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000773837720 1303744031 /nfs/dbraw/zinc/74/40/31/1303744031.db2.gz VYFKHYRSVPXCBD-LAUBAEHRSA-N 1 2 333.431 3.221 20 30 EGEDLO N#Cc1cccn(C[NH+]2CCC(c3ccc(Cl)cc3)CC2)c1=O ZINC000774634772 1303838303 /nfs/dbraw/zinc/83/83/03/1303838303.db2.gz GBDIEHQIXDWEFH-UHFFFAOYSA-N 1 2 327.815 3.210 20 30 EGEDLO C[NH+](C)[C@H](C(=O)OCc1cn2ccccc2c1C#N)c1ccccc1 ZINC000780092823 1304638358 /nfs/dbraw/zinc/63/83/58/1304638358.db2.gz OXHMNDYMGJQUSU-IBGZPJMESA-N 1 2 333.391 3.157 20 30 EGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000780156011 1304645403 /nfs/dbraw/zinc/64/54/03/1304645403.db2.gz CGHVFUGVUKXZHN-OAHLLOKOSA-N 1 2 346.390 3.475 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC000781975864 1304898326 /nfs/dbraw/zinc/89/83/26/1304898326.db2.gz MBYOZWWUZIXWAV-UHFFFAOYSA-N 1 2 333.270 3.274 20 30 EGEDLO N#CCCCn1cc(C(=O)OCCCn2cc[nH+]c2)c2ccccc21 ZINC000785018945 1305304591 /nfs/dbraw/zinc/30/45/91/1305304591.db2.gz QYJGDUGBCUQZEM-UHFFFAOYSA-N 1 2 336.395 3.389 20 30 EGEDLO c1cn(-c2ccc(CN=Nc3nnc(-c4ccccn4)s3)cc2)c[nH+]1 ZINC000788027991 1305850014 /nfs/dbraw/zinc/85/00/14/1305850014.db2.gz SAOTYCQGIHDZRB-UHFFFAOYSA-N 1 2 347.407 3.232 20 30 EGEDLO Fc1cccc(Cl)c1C[NH+]1CCC(=NOC[C@H]2CCOC2)CC1 ZINC000788034733 1305851173 /nfs/dbraw/zinc/85/11/73/1305851173.db2.gz UTUAUCBBJPPDEI-ZDUSSCGKSA-N 1 2 340.826 3.484 20 30 EGEDLO O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000790581571 1306355733 /nfs/dbraw/zinc/35/57/33/1306355733.db2.gz DKWRMMBDPQFSIH-INIZCTEOSA-N 1 2 347.340 3.117 20 30 EGEDLO N#Cc1c(=O)n(C[NH+]2CCC(c3ccccc3)CC2)cc2c1CCCC2 ZINC000793483904 1309382325 /nfs/dbraw/zinc/38/23/25/1309382325.db2.gz PBDPNTPMTKTOHG-UHFFFAOYSA-N 1 2 347.462 3.436 20 30 EGEDLO CSc1ccccc1C[N@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000794653540 1309565440 /nfs/dbraw/zinc/56/54/40/1309565440.db2.gz ARFDPPNMQYBDNM-UHFFFAOYSA-N 1 2 339.464 3.020 20 30 EGEDLO CSc1ccccc1C[N@@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000794653540 1309565445 /nfs/dbraw/zinc/56/54/45/1309565445.db2.gz ARFDPPNMQYBDNM-UHFFFAOYSA-N 1 2 339.464 3.020 20 30 EGEDLO COC(=O)N1CCC(C/[NH+]=C\c2c(O)ccc3ccccc32)CC1 ZINC000794675461 1309570315 /nfs/dbraw/zinc/57/03/15/1309570315.db2.gz BVTJYACNBJHBJF-MOSHPQCFSA-N 1 2 326.396 3.443 20 30 EGEDLO COC(=O)N1CCC(C/[NH+]=C/c2c(O)ccc3ccccc32)CC1 ZINC000794675460 1309570595 /nfs/dbraw/zinc/57/05/95/1309570595.db2.gz BVTJYACNBJHBJF-DEDYPNTBSA-N 1 2 326.396 3.443 20 30 EGEDLO COc1ccc(OC)c(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)c1 ZINC000794692253 1309575835 /nfs/dbraw/zinc/57/58/35/1309575835.db2.gz VGFZOBBRGLRROY-VURMDHGXSA-N 1 2 332.425 3.118 20 30 EGEDLO COc1ccc2c(c1)C(=O)/C(=C\c1ncc(C[NH+](C)C)s1)CCO2 ZINC000794703837 1309578481 /nfs/dbraw/zinc/57/84/81/1309578481.db2.gz WGBBJVGMOOGMNS-WQLSENKSSA-N 1 2 344.436 3.262 20 30 EGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccccc1-n1ccnn1 ZINC000794908413 1309619845 /nfs/dbraw/zinc/61/98/45/1309619845.db2.gz GBBQNBCSFLSNDA-UHFFFAOYSA-N 1 2 328.379 3.074 20 30 EGEDLO C#Cc1cncc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c1 ZINC000798155284 1310305055 /nfs/dbraw/zinc/30/50/55/1310305055.db2.gz HRXZSJZBXDACJZ-UHFFFAOYSA-N 1 2 340.452 3.004 20 30 EGEDLO CC(C)(CO)CNN=C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000799115438 1310488438 /nfs/dbraw/zinc/48/84/38/1310488438.db2.gz XXTISBSQIIFMEQ-UHFFFAOYSA-N 1 2 341.858 3.039 20 30 EGEDLO O=C1C=C([NH2+]Nc2ccccc2OC(F)(F)F)[C@H]2CCCCN12 ZINC000799485399 1310559109 /nfs/dbraw/zinc/55/91/09/1310559109.db2.gz RRCUXTCXQSOUNV-GFCCVEGCSA-N 1 2 327.306 3.138 20 30 EGEDLO COC(=O)c1c(F)cccc1N=NC(C)C[NH+]1Cc2ccccc2C1 ZINC000800818612 1310812575 /nfs/dbraw/zinc/81/25/75/1310812575.db2.gz GZXBQDKMMXZOKZ-UHFFFAOYSA-N 1 2 341.386 3.416 20 30 EGEDLO COC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCCCC1(C#N)CCC1 ZINC000929220712 1328540284 /nfs/dbraw/zinc/54/02/84/1328540284.db2.gz AZPABMJIFGGJEY-SFHVURJKSA-N 1 2 326.440 3.450 20 30 EGEDLO COC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCCCC1(C#N)CCC1 ZINC000929220712 1328540291 /nfs/dbraw/zinc/54/02/91/1328540291.db2.gz AZPABMJIFGGJEY-SFHVURJKSA-N 1 2 326.440 3.450 20 30 EGEDLO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1CCCCC1(C#N)CCC1 ZINC000929220710 1328540417 /nfs/dbraw/zinc/54/04/17/1328540417.db2.gz AZPABMJIFGGJEY-GOSISDBHSA-N 1 2 326.440 3.450 20 30 EGEDLO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1CCCCC1(C#N)CCC1 ZINC000929220710 1328540421 /nfs/dbraw/zinc/54/04/21/1328540421.db2.gz AZPABMJIFGGJEY-GOSISDBHSA-N 1 2 326.440 3.450 20 30 EGEDLO C[C@H](C#N)OCC[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000801939359 1316969470 /nfs/dbraw/zinc/96/94/70/1316969470.db2.gz SDNBTWPBMZUSFM-DOMZBBRYSA-N 1 2 328.334 3.007 20 30 EGEDLO C[C@H](C#N)OCC[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000801939359 1316969473 /nfs/dbraw/zinc/96/94/73/1316969473.db2.gz SDNBTWPBMZUSFM-DOMZBBRYSA-N 1 2 328.334 3.007 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(N(C)C(C)C)cc2)C1 ZINC000957451023 1317372202 /nfs/dbraw/zinc/37/22/02/1317372202.db2.gz VKNGFDNCSCUOMC-UHFFFAOYSA-N 1 2 329.488 3.254 20 30 EGEDLO Cn1c[nH+]cc1/C=C/C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000901482295 1317435009 /nfs/dbraw/zinc/43/50/09/1317435009.db2.gz WLIGXSMLFYVASI-DHZHZOJOSA-N 1 2 344.436 3.033 20 30 EGEDLO Cc1nc(C[NH+]2CCC(C(=O)O[C@@H](C#N)C(C)(C)C)CC2)cs1 ZINC000805914381 1317437878 /nfs/dbraw/zinc/43/78/78/1317437878.db2.gz IQZPVLZJIMKULW-HNNXBMFYSA-N 1 2 335.473 3.145 20 30 EGEDLO N#Cc1cccc(OC2CC[NH+](CN3Cc4ccccc4C3=O)CC2)c1 ZINC000902123473 1317526602 /nfs/dbraw/zinc/52/66/02/1317526602.db2.gz XAHTXVUSLSFWRU-UHFFFAOYSA-N 1 2 347.418 3.015 20 30 EGEDLO CCC(C)(CC)C(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000957703647 1317576425 /nfs/dbraw/zinc/57/64/25/1317576425.db2.gz BGCSOXCZNVBSIX-UHFFFAOYSA-N 1 2 343.471 3.059 20 30 EGEDLO C(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1cccc(Oc2ccccn2)c1 ZINC000905457015 1317961041 /nfs/dbraw/zinc/96/10/41/1317961041.db2.gz QZLRWMUYTDXAJJ-IAGOWNOFSA-N 1 2 335.411 3.068 20 30 EGEDLO C#C[C@@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccc(Cl)cc1 ZINC000811882630 1318285047 /nfs/dbraw/zinc/28/50/47/1318285047.db2.gz JJPGBQIDOLLIRF-MRXNPFEDSA-N 1 2 342.830 3.211 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCN1C(=O)/C=C/C1CC1 ZINC000960510177 1318623065 /nfs/dbraw/zinc/62/30/65/1318623065.db2.gz UPDAHZJANRLIRQ-MBNRZODZSA-N 1 2 341.430 3.086 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCN1C(=O)/C=C/C1CC1 ZINC000960510177 1318623072 /nfs/dbraw/zinc/62/30/72/1318623072.db2.gz UPDAHZJANRLIRQ-MBNRZODZSA-N 1 2 341.430 3.086 20 30 EGEDLO C[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cc(F)ccc1C#N)C1CC1 ZINC000960527912 1318643859 /nfs/dbraw/zinc/64/38/59/1318643859.db2.gz KTHAZKCSSCWTTG-AUUYWEPGSA-N 1 2 343.446 3.166 20 30 EGEDLO C[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N)C1CC1 ZINC000960527912 1318643865 /nfs/dbraw/zinc/64/38/65/1318643865.db2.gz KTHAZKCSSCWTTG-AUUYWEPGSA-N 1 2 343.446 3.166 20 30 EGEDLO C#CC[N@H+](Cc1cnnn1Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000814168168 1318686526 /nfs/dbraw/zinc/68/65/26/1318686526.db2.gz ZSJUOXFSZSDQGE-JOCHJYFZSA-N 1 2 342.446 3.449 20 30 EGEDLO C#CC[N@@H+](Cc1cnnn1Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000814168168 1318686531 /nfs/dbraw/zinc/68/65/31/1318686531.db2.gz ZSJUOXFSZSDQGE-JOCHJYFZSA-N 1 2 342.446 3.449 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)[C@@H](C)c1nnc(CC)o1 ZINC000960785140 1318885774 /nfs/dbraw/zinc/88/57/74/1318885774.db2.gz DRASDUIBAGSPFV-LSDHHAIUSA-N 1 2 348.491 3.218 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)[C@@H](C)c1nnc(CC)o1 ZINC000960785140 1318885778 /nfs/dbraw/zinc/88/57/78/1318885778.db2.gz DRASDUIBAGSPFV-LSDHHAIUSA-N 1 2 348.491 3.218 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1csc(C)n1 ZINC000960826059 1318950437 /nfs/dbraw/zinc/95/04/37/1318950437.db2.gz IHJNUDKXJIWTAK-SJLPKXTDSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1csc(C)n1 ZINC000960826059 1318950440 /nfs/dbraw/zinc/95/04/40/1318950440.db2.gz IHJNUDKXJIWTAK-SJLPKXTDSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccn(C(C)C)n1 ZINC000960828025 1318955936 /nfs/dbraw/zinc/95/59/36/1318955936.db2.gz PKQDERVTAQICCT-UYAOXDASSA-N 1 2 346.519 3.489 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccn(C(C)C)n1 ZINC000960828025 1318955948 /nfs/dbraw/zinc/95/59/48/1318955948.db2.gz PKQDERVTAQICCT-UYAOXDASSA-N 1 2 346.519 3.489 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2nocc2C)CC1 ZINC000960831626 1318961045 /nfs/dbraw/zinc/96/10/45/1318961045.db2.gz LWXARARKLDKABO-KRWDZBQOSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2nocc2C)CC1 ZINC000960831626 1318961050 /nfs/dbraw/zinc/96/10/50/1318961050.db2.gz LWXARARKLDKABO-KRWDZBQOSA-N 1 2 331.460 3.152 20 30 EGEDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)s1 ZINC000818232071 1319524331 /nfs/dbraw/zinc/52/43/31/1319524331.db2.gz PURIQBVEUJTZQY-NWDGAFQWSA-N 1 2 345.424 3.071 20 30 EGEDLO CC(=NNC(=S)NCc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000915924413 1319562923 /nfs/dbraw/zinc/56/29/23/1319562923.db2.gz HBHYIBNIRMFCFR-UHFFFAOYSA-N 1 2 349.463 3.261 20 30 EGEDLO Cc1cc(=O)nc(NN=C2CC[NH+](Cc3ccc(Cl)cc3)CC2)[nH]1 ZINC000915932664 1319565352 /nfs/dbraw/zinc/56/53/52/1319565352.db2.gz YKGFDDBEKSFXAX-UHFFFAOYSA-N 1 2 345.834 3.208 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NCc1cccc(C(=O)NCC)c1 ZINC000820629427 1319925562 /nfs/dbraw/zinc/92/55/62/1319925562.db2.gz KCGCYHGZWSIRBI-UHFFFAOYSA-N 1 2 337.423 3.236 20 30 EGEDLO COc1ccc(C(=O)/C=C/c2ccc(N)[nH+]c2)cc1Br ZINC000821031991 1319994975 /nfs/dbraw/zinc/99/49/75/1319994975.db2.gz PSUPLTJRUIYJGI-GORDUTHDSA-N 1 2 333.185 3.331 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cn(Cc2ccccc2)nn1 ZINC000823619155 1320192872 /nfs/dbraw/zinc/19/28/72/1320192872.db2.gz YOEWQXPROJGNLM-INIZCTEOSA-N 1 2 331.423 3.391 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cn(Cc2ccccc2)nn1 ZINC000823619155 1320192876 /nfs/dbraw/zinc/19/28/76/1320192876.db2.gz YOEWQXPROJGNLM-INIZCTEOSA-N 1 2 331.423 3.391 20 30 EGEDLO C#CCC[NH+]1CCN(C(=O)c2cc3cc(Cl)ccc3s2)CC1 ZINC000825077865 1320308123 /nfs/dbraw/zinc/30/81/23/1320308123.db2.gz KQDIDTNCOUBGHK-UHFFFAOYSA-N 1 2 332.856 3.336 20 30 EGEDLO C=CCN1CCN(C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)C1=O ZINC000839972881 1321006384 /nfs/dbraw/zinc/00/63/84/1321006384.db2.gz XAQBFFCAWFICFW-UHFFFAOYSA-N 1 2 327.350 3.018 20 30 EGEDLO C=CCN1CCN(C[N@H+](C)Cc2cccc(C(F)(F)F)c2)C1=O ZINC000839972881 1321006386 /nfs/dbraw/zinc/00/63/86/1321006386.db2.gz XAQBFFCAWFICFW-UHFFFAOYSA-N 1 2 327.350 3.018 20 30 EGEDLO C[N@H+](CC(F)F)C1CCN(c2cc(C(F)(F)F)cnc2C#N)CC1 ZINC000840271873 1321063495 /nfs/dbraw/zinc/06/34/95/1321063495.db2.gz QBZFLOZEVKHBEN-UHFFFAOYSA-N 1 2 348.319 3.138 20 30 EGEDLO C[N@@H+](CC(F)F)C1CCN(c2cc(C(F)(F)F)cnc2C#N)CC1 ZINC000840271873 1321063498 /nfs/dbraw/zinc/06/34/98/1321063498.db2.gz QBZFLOZEVKHBEN-UHFFFAOYSA-N 1 2 348.319 3.138 20 30 EGEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000840283184 1321065969 /nfs/dbraw/zinc/06/59/69/1321065969.db2.gz VCLYJUDJMGBFLX-KSZLIROESA-N 1 2 336.439 3.089 20 30 EGEDLO N#CCOc1cccc(OC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000841343068 1321260902 /nfs/dbraw/zinc/26/09/02/1321260902.db2.gz UGCKOCWRVJEXDJ-IBGZPJMESA-N 1 2 336.391 3.159 20 30 EGEDLO N#CCOc1cccc(OC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000841343068 1321260905 /nfs/dbraw/zinc/26/09/05/1321260905.db2.gz UGCKOCWRVJEXDJ-IBGZPJMESA-N 1 2 336.391 3.159 20 30 EGEDLO COc1ccc(Cl)cc1C#CCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845287556 1321694866 /nfs/dbraw/zinc/69/48/66/1321694866.db2.gz XEIUJVNWONUFLC-ZDUSSCGKSA-N 1 2 332.787 3.091 20 30 EGEDLO C[C@@H]1[C@@H](C)[N@H+](Cc2ccc(C#N)cn2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000847007243 1321833122 /nfs/dbraw/zinc/83/31/22/1321833122.db2.gz AGKXVNVKLZTQJM-RRFJBIMHSA-N 1 2 344.459 3.171 20 30 EGEDLO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccc(C#N)cn2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000847007243 1321833127 /nfs/dbraw/zinc/83/31/27/1321833127.db2.gz AGKXVNVKLZTQJM-RRFJBIMHSA-N 1 2 344.459 3.171 20 30 EGEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccn3c(C)c[nH+]c3c2)c1 ZINC000847495299 1321875078 /nfs/dbraw/zinc/87/50/78/1321875078.db2.gz AXZZNBHXJOQSIG-QGZVFWFLSA-N 1 2 348.406 3.254 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(Cn2cncn2)cc1 ZINC000853108727 1323283977 /nfs/dbraw/zinc/28/39/77/1323283977.db2.gz UNRQECQCHJKCCA-UHFFFAOYSA-N 1 2 347.422 3.126 20 30 EGEDLO Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CC#Cc2ccccc2)o1 ZINC001024319019 1323302870 /nfs/dbraw/zinc/30/28/70/1323302870.db2.gz QLCXZVFCQQZLIW-LJQANCHMSA-N 1 2 336.435 3.224 20 30 EGEDLO Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CC#Cc2ccccc2)o1 ZINC001024319019 1323302879 /nfs/dbraw/zinc/30/28/79/1323302879.db2.gz QLCXZVFCQQZLIW-LJQANCHMSA-N 1 2 336.435 3.224 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C)c(OC)c1 ZINC001024541510 1323483799 /nfs/dbraw/zinc/48/37/99/1323483799.db2.gz MABDNEQDAFKOCG-MRXNPFEDSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C)c(OC)c1 ZINC001024541510 1323483810 /nfs/dbraw/zinc/48/38/10/1323483810.db2.gz MABDNEQDAFKOCG-MRXNPFEDSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1N(C)C ZINC001024824126 1323726963 /nfs/dbraw/zinc/72/69/63/1323726963.db2.gz CBCRQBUWAUFTRI-HNNXBMFYSA-N 1 2 335.879 3.089 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1N(C)C ZINC001024824126 1323726968 /nfs/dbraw/zinc/72/69/68/1323726968.db2.gz CBCRQBUWAUFTRI-HNNXBMFYSA-N 1 2 335.879 3.089 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1csc(C2CC2)n1 ZINC001024822177 1323727108 /nfs/dbraw/zinc/72/71/08/1323727108.db2.gz YUWJJPCNWJKLCJ-ZDUSSCGKSA-N 1 2 339.892 3.357 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1csc(C2CC2)n1 ZINC001024822177 1323727110 /nfs/dbraw/zinc/72/71/10/1323727110.db2.gz YUWJJPCNWJKLCJ-ZDUSSCGKSA-N 1 2 339.892 3.357 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCCC[C@H]1C[NH2+]Cc1nc(CCCC)no1 ZINC001025041057 1323843593 /nfs/dbraw/zinc/84/35/93/1323843593.db2.gz SAODJBCTBRIQGL-HNNXBMFYSA-N 1 2 348.491 3.095 20 30 EGEDLO CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC001025274152 1324090299 /nfs/dbraw/zinc/09/02/99/1324090299.db2.gz UPJLJNZIRKJUEZ-MOPGFXCFSA-N 1 2 342.487 3.016 20 30 EGEDLO CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC001025274152 1324090305 /nfs/dbraw/zinc/09/03/05/1324090305.db2.gz UPJLJNZIRKJUEZ-MOPGFXCFSA-N 1 2 342.487 3.016 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](O)c1cccc(OC)c1 ZINC000853315467 1325080256 /nfs/dbraw/zinc/08/02/56/1325080256.db2.gz SOWDMGMWHIIVHS-QGZVFWFLSA-N 1 2 326.396 3.028 20 30 EGEDLO C=CC[C@H]1CCC[N@@H+](Cn2ncn(-c3ccc(OC)nc3)c2=S)C1 ZINC000853537280 1325118743 /nfs/dbraw/zinc/11/87/43/1325118743.db2.gz UAKAAQZYTGNTMA-AWEZNQCLSA-N 1 2 345.472 3.052 20 30 EGEDLO C=CC[C@H]1CCC[N@H+](Cn2ncn(-c3ccc(OC)nc3)c2=S)C1 ZINC000853537280 1325118752 /nfs/dbraw/zinc/11/87/52/1325118752.db2.gz UAKAAQZYTGNTMA-AWEZNQCLSA-N 1 2 345.472 3.052 20 30 EGEDLO C#CCC[N@@H+](CCOC)CN1C(=O)C2(CCCC2)[C@@H]1c1ccccc1 ZINC000853621254 1325134738 /nfs/dbraw/zinc/13/47/38/1325134738.db2.gz WFUJORCMVXKWGR-IBGZPJMESA-N 1 2 340.467 3.060 20 30 EGEDLO C#CCC[N@H+](CCOC)CN1C(=O)C2(CCCC2)[C@@H]1c1ccccc1 ZINC000853621254 1325134743 /nfs/dbraw/zinc/13/47/43/1325134743.db2.gz WFUJORCMVXKWGR-IBGZPJMESA-N 1 2 340.467 3.060 20 30 EGEDLO CC[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1cccc(C#N)c1O ZINC000925574774 1325217294 /nfs/dbraw/zinc/21/72/94/1325217294.db2.gz DORVGMKMIJLJTE-HFTRVMKXSA-N 1 2 332.469 3.359 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)CC(C)(C)C)C1 ZINC001027302458 1325445564 /nfs/dbraw/zinc/44/55/64/1325445564.db2.gz HCDBMEJHERMTLM-ZDUSSCGKSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)CC(C)(C)C)C1 ZINC001027302458 1325445567 /nfs/dbraw/zinc/44/55/67/1325445567.db2.gz HCDBMEJHERMTLM-ZDUSSCGKSA-N 1 2 331.298 3.254 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)[C@H](C)c2nc(C(C)C)no2)C1 ZINC001027520218 1327791531 /nfs/dbraw/zinc/79/15/31/1327791531.db2.gz IYMUBLUSRURPFV-HUUCEWRRSA-N 1 2 348.491 3.389 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)[C@H](C)c2nc(C(C)C)no2)C1 ZINC001027520218 1327791537 /nfs/dbraw/zinc/79/15/37/1327791537.db2.gz IYMUBLUSRURPFV-HUUCEWRRSA-N 1 2 348.491 3.389 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@H+](C)Cc3nccs3)C2)CC1 ZINC001027559493 1327871795 /nfs/dbraw/zinc/87/17/95/1327871795.db2.gz ZLWXSGBKHDLTNW-MRXNPFEDSA-N 1 2 333.501 3.312 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3nccs3)C2)CC1 ZINC001027559493 1327871803 /nfs/dbraw/zinc/87/18/03/1327871803.db2.gz ZLWXSGBKHDLTNW-MRXNPFEDSA-N 1 2 333.501 3.312 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2CC3(CC3)C2)C1 ZINC001027570530 1327902380 /nfs/dbraw/zinc/90/23/80/1327902380.db2.gz HYCYFAGKSUMVDQ-CQSZACIVSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)C2CC3(CC3)C2)C1 ZINC001027570530 1327902385 /nfs/dbraw/zinc/90/23/85/1327902385.db2.gz HYCYFAGKSUMVDQ-CQSZACIVSA-N 1 2 341.293 3.008 20 30 EGEDLO CC1(C)C[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl ZINC001027830425 1328285690 /nfs/dbraw/zinc/28/56/90/1328285690.db2.gz BKAIHPBKOWKZGJ-SJORKVTESA-N 1 2 344.886 3.318 20 30 EGEDLO CC1(C)C[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1Cl ZINC001027830425 1328285696 /nfs/dbraw/zinc/28/56/96/1328285696.db2.gz BKAIHPBKOWKZGJ-SJORKVTESA-N 1 2 344.886 3.318 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1CNC(=O)c1ccoc1Cl ZINC001027850921 1328308951 /nfs/dbraw/zinc/30/89/51/1328308951.db2.gz AMDBTDQQMIUJOX-OAHLLOKOSA-N 1 2 343.814 3.199 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccoc1Cl ZINC001027850921 1328308955 /nfs/dbraw/zinc/30/89/55/1328308955.db2.gz AMDBTDQQMIUJOX-OAHLLOKOSA-N 1 2 343.814 3.199 20 30 EGEDLO C=CC[N@H+](Cc1cccs1)Cc1cc(=O)n2cc(C)sc2n1 ZINC000929139642 1328517529 /nfs/dbraw/zinc/51/75/29/1328517529.db2.gz BKQXVHNOKYXPNP-UHFFFAOYSA-N 1 2 331.466 3.314 20 30 EGEDLO C=CC[N@@H+](Cc1cccs1)Cc1cc(=O)n2cc(C)sc2n1 ZINC000929139642 1328517534 /nfs/dbraw/zinc/51/75/34/1328517534.db2.gz BKQXVHNOKYXPNP-UHFFFAOYSA-N 1 2 331.466 3.314 20 30 EGEDLO C#CCOc1ccccc1C[NH2+]Cc1c(OC)cc(F)cc1OC ZINC000865464299 1329701166 /nfs/dbraw/zinc/70/11/66/1329701166.db2.gz IFNPEVBWFQKAIX-UHFFFAOYSA-N 1 2 329.371 3.145 20 30 EGEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc(C#N)ccc1C ZINC000933245554 1329874136 /nfs/dbraw/zinc/87/41/36/1329874136.db2.gz YJZUTCUGQLNHSM-UHFFFAOYSA-N 1 2 349.434 3.260 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000933555025 1329900547 /nfs/dbraw/zinc/90/05/47/1329900547.db2.gz AVZGTBFVNXDBDG-MRXNPFEDSA-N 1 2 329.488 3.440 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2CCCC2)C[C@@H]1C ZINC000946976630 1332952308 /nfs/dbraw/zinc/95/23/08/1332952308.db2.gz XWGBOWFNHODTOY-JSGCOSHPSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2CCCC2)C[C@@H]1C ZINC000946976630 1332952310 /nfs/dbraw/zinc/95/23/10/1332952310.db2.gz XWGBOWFNHODTOY-JSGCOSHPSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CC2CCCC2)C[C@@H]1C ZINC000947015047 1332973686 /nfs/dbraw/zinc/97/36/86/1332973686.db2.gz ZGEBOGDMMPYTAF-ZFWWWQNUSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CC2CCCC2)C[C@@H]1C ZINC000947015047 1332973688 /nfs/dbraw/zinc/97/36/88/1332973688.db2.gz ZGEBOGDMMPYTAF-ZFWWWQNUSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C2CC2)C[C@H]1C ZINC000947635432 1333202498 /nfs/dbraw/zinc/20/24/98/1333202498.db2.gz VLHAMJUDXBTWIN-TZMCWYRMSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C2CC2)C[C@H]1C ZINC000947635432 1333202500 /nfs/dbraw/zinc/20/25/00/1333202500.db2.gz VLHAMJUDXBTWIN-TZMCWYRMSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(C(C)C)o3)[C@@H](C)C2)C1 ZINC000947702582 1333232981 /nfs/dbraw/zinc/23/29/81/1333232981.db2.gz QARCTRCHHFMRHM-GJZGRUSLSA-N 1 2 346.475 3.018 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nnc(C(C)C)o3)[C@@H](C)C2)C1 ZINC000947702582 1333232987 /nfs/dbraw/zinc/23/29/87/1333232987.db2.gz QARCTRCHHFMRHM-GJZGRUSLSA-N 1 2 346.475 3.018 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC000948889709 1333720109 /nfs/dbraw/zinc/72/01/09/1333720109.db2.gz DUBXZLHRDDAINK-GOSISDBHSA-N 1 2 341.842 3.021 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC000948889709 1333720116 /nfs/dbraw/zinc/72/01/16/1333720116.db2.gz DUBXZLHRDDAINK-GOSISDBHSA-N 1 2 341.842 3.021 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C)cs1 ZINC000948915697 1333732547 /nfs/dbraw/zinc/73/25/47/1333732547.db2.gz CHSRMEIWXWQASU-GOSISDBHSA-N 1 2 338.476 3.409 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C)cs1 ZINC000948915697 1333732550 /nfs/dbraw/zinc/73/25/50/1333732550.db2.gz CHSRMEIWXWQASU-GOSISDBHSA-N 1 2 338.476 3.409 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc2occc2[nH]1 ZINC000948923292 1333735027 /nfs/dbraw/zinc/73/50/27/1333735027.db2.gz FKAOSNUVQOCHIU-IBGZPJMESA-N 1 2 347.418 3.113 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc2occc2[nH]1 ZINC000948923292 1333735029 /nfs/dbraw/zinc/73/50/29/1333735029.db2.gz FKAOSNUVQOCHIU-IBGZPJMESA-N 1 2 347.418 3.113 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnc(C2CC2)o1 ZINC000948923389 1333735044 /nfs/dbraw/zinc/73/50/44/1333735044.db2.gz HYEWLSQTCZUJBC-QGZVFWFLSA-N 1 2 337.423 3.067 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnc(C2CC2)o1 ZINC000948923389 1333735046 /nfs/dbraw/zinc/73/50/46/1333735046.db2.gz HYEWLSQTCZUJBC-QGZVFWFLSA-N 1 2 337.423 3.067 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc2cnccc2o1 ZINC000948936229 1333740246 /nfs/dbraw/zinc/74/02/46/1333740246.db2.gz NEOANUAFRFAOPY-SFHVURJKSA-N 1 2 347.418 3.343 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc2cnccc2o1 ZINC000948936229 1333740247 /nfs/dbraw/zinc/74/02/47/1333740247.db2.gz NEOANUAFRFAOPY-SFHVURJKSA-N 1 2 347.418 3.343 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)c(C)cn1 ZINC000948941160 1333742297 /nfs/dbraw/zinc/74/22/97/1333742297.db2.gz UKSFORKMWFMQDK-NRFANRHFSA-N 1 2 347.462 3.051 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)c(C)cn1 ZINC000948941160 1333742303 /nfs/dbraw/zinc/74/23/03/1333742303.db2.gz UKSFORKMWFMQDK-NRFANRHFSA-N 1 2 347.462 3.051 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1occc1C(C)C ZINC000948951081 1333745003 /nfs/dbraw/zinc/74/50/03/1333745003.db2.gz SQLQVZVQBYHHTP-IBGZPJMESA-N 1 2 336.435 3.365 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1occc1C(C)C ZINC000948951081 1333745005 /nfs/dbraw/zinc/74/50/05/1333745005.db2.gz SQLQVZVQBYHHTP-IBGZPJMESA-N 1 2 336.435 3.365 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(OCC)cc1 ZINC000948981656 1333757204 /nfs/dbraw/zinc/75/72/04/1333757204.db2.gz CZVQDXFRYRSKHM-NRFANRHFSA-N 1 2 348.446 3.048 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(OCC)cc1 ZINC000948981656 1333757207 /nfs/dbraw/zinc/75/72/07/1333757207.db2.gz CZVQDXFRYRSKHM-NRFANRHFSA-N 1 2 348.446 3.048 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1coc2ccccc12 ZINC000948986464 1333760279 /nfs/dbraw/zinc/76/02/79/1333760279.db2.gz MEJCEFJMEIYZSV-FQEVSTJZSA-N 1 2 344.414 3.395 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1coc2ccccc12 ZINC000948986464 1333760280 /nfs/dbraw/zinc/76/02/80/1333760280.db2.gz MEJCEFJMEIYZSV-FQEVSTJZSA-N 1 2 344.414 3.395 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1nc(C)c(C)s1 ZINC000948986729 1333760473 /nfs/dbraw/zinc/76/04/73/1333760473.db2.gz PRULPQJBJKQVBW-KRWDZBQOSA-N 1 2 341.480 3.275 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1nc(C)c(C)s1 ZINC000948986729 1333760475 /nfs/dbraw/zinc/76/04/75/1333760475.db2.gz PRULPQJBJKQVBW-KRWDZBQOSA-N 1 2 341.480 3.275 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(F)s1 ZINC000948990088 1333762599 /nfs/dbraw/zinc/76/25/99/1333762599.db2.gz ZDDDUBNFELXTHT-HNNXBMFYSA-N 1 2 330.428 3.402 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(F)s1 ZINC000948990088 1333762601 /nfs/dbraw/zinc/76/26/01/1333762601.db2.gz ZDDDUBNFELXTHT-HNNXBMFYSA-N 1 2 330.428 3.402 20 30 EGEDLO C#Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000949597050 1333881059 /nfs/dbraw/zinc/88/10/59/1333881059.db2.gz KTSHPIADZGIYJI-MRXNPFEDSA-N 1 2 336.410 3.326 20 30 EGEDLO CC(C)c1cc(NC[C@H]2CCCN2C(=O)[C@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001063454062 1351877042 /nfs/dbraw/zinc/87/70/42/1351877042.db2.gz MXRKWCLZMXWUFN-HUUCEWRRSA-N 1 2 343.475 3.286 20 30 EGEDLO CCN(C(=O)c1c[nH]c(C#N)c1)C1C[NH+](Cc2ccc(C3CC3)cc2)C1 ZINC000949919060 1333962670 /nfs/dbraw/zinc/96/26/70/1333962670.db2.gz LSGCXODNTFHKCB-UHFFFAOYSA-N 1 2 348.450 3.110 20 30 EGEDLO C=C1CCC(C(=O)N2CC[NH+](Cc3ccc4c(c3)COC4)CC2)CC1 ZINC000950019014 1333994081 /nfs/dbraw/zinc/99/40/81/1333994081.db2.gz YJJOCRLKIUCUTF-UHFFFAOYSA-N 1 2 340.467 3.107 20 30 EGEDLO C=C1CCC(C(=O)N2CC[NH+](CCOc3ccccc3C)CC2)CC1 ZINC000950046553 1334000930 /nfs/dbraw/zinc/00/09/30/1334000930.db2.gz FGISVKSTGGSOCL-UHFFFAOYSA-N 1 2 342.483 3.264 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(F)c3ccncc23)C1 ZINC000951359918 1334230471 /nfs/dbraw/zinc/23/04/71/1334230471.db2.gz HBFHETKMVFTLQY-UHFFFAOYSA-N 1 2 327.403 3.096 20 30 EGEDLO C[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)C1(F)CCCC1 ZINC000967034093 1335647122 /nfs/dbraw/zinc/64/71/22/1335647122.db2.gz ROQJFOMSNSGPQO-QAPCUYQASA-N 1 2 343.446 3.167 20 30 EGEDLO C[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)C1(F)CCCC1 ZINC000967034093 1335647124 /nfs/dbraw/zinc/64/71/24/1335647124.db2.gz ROQJFOMSNSGPQO-QAPCUYQASA-N 1 2 343.446 3.167 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2COC)C1 ZINC000967209012 1335676538 /nfs/dbraw/zinc/67/65/38/1335676538.db2.gz SNTFZXHRCJQUFV-GUYCJALGSA-N 1 2 336.863 3.026 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2COC)C1 ZINC000967209012 1335676539 /nfs/dbraw/zinc/67/65/39/1335676539.db2.gz SNTFZXHRCJQUFV-GUYCJALGSA-N 1 2 336.863 3.026 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(C)n(CC)c2C)C1 ZINC000967273409 1335683322 /nfs/dbraw/zinc/68/33/22/1335683322.db2.gz LOEVOTIPBBVFKU-SJKOYZFVSA-N 1 2 337.895 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(C)n(CC)c2C)C1 ZINC000967273409 1335683325 /nfs/dbraw/zinc/68/33/25/1335683325.db2.gz LOEVOTIPBBVFKU-SJKOYZFVSA-N 1 2 337.895 3.318 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)ccc2OC)C1 ZINC000967279617 1335686746 /nfs/dbraw/zinc/68/67/46/1335686746.db2.gz OKFCJKCWHOPFRI-CJNGLKHVSA-N 1 2 336.863 3.196 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)ccc2OC)C1 ZINC000967279617 1335686747 /nfs/dbraw/zinc/68/67/47/1335686747.db2.gz OKFCJKCWHOPFRI-CJNGLKHVSA-N 1 2 336.863 3.196 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc3c(cn2)CCCC3)C1 ZINC000967289766 1335690906 /nfs/dbraw/zinc/69/09/06/1335690906.db2.gz YFWSEZCTBVTOEN-SCLBCKFNSA-N 1 2 347.890 3.153 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc3c(cn2)CCCC3)C1 ZINC000967289766 1335690907 /nfs/dbraw/zinc/69/09/07/1335690907.db2.gz YFWSEZCTBVTOEN-SCLBCKFNSA-N 1 2 347.890 3.153 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3cccnc3c2)C1 ZINC000968439899 1335929716 /nfs/dbraw/zinc/92/97/16/1335929716.db2.gz OLTKCDOMQOQQLO-FZKQIMNGSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3cccnc3c2)C1 ZINC000968439899 1335929718 /nfs/dbraw/zinc/92/97/18/1335929718.db2.gz OLTKCDOMQOQQLO-FZKQIMNGSA-N 1 2 343.858 3.428 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H](C)C2C[NH+](Cc3ccccc3C#N)C2)s1 ZINC000969221459 1336180177 /nfs/dbraw/zinc/18/01/77/1336180177.db2.gz DBDPGPOOHFDAPG-AWEZNQCLSA-N 1 2 339.464 3.179 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nc(C(C)C)no2)C1 ZINC000969564564 1336224444 /nfs/dbraw/zinc/22/44/44/1336224444.db2.gz WGRCVVDHRCJMFF-UONOGXRCSA-N 1 2 334.464 3.047 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000969564656 1336224459 /nfs/dbraw/zinc/22/44/59/1336224459.db2.gz ZVNPTFXAQAJGCL-UONOGXRCSA-N 1 2 348.491 3.221 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC000969719335 1336239025 /nfs/dbraw/zinc/23/90/25/1336239025.db2.gz BPQQBKYWYGBLSB-AWEZNQCLSA-N 1 2 336.863 3.115 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2nsc3ccc(C)cc32)C1 ZINC000970271652 1336292389 /nfs/dbraw/zinc/29/23/89/1336292389.db2.gz VADFQTCKUREXAS-GFCCVEGCSA-N 1 2 349.887 3.407 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(OC)c(C3CC3)c2)C1 ZINC000970658999 1336330648 /nfs/dbraw/zinc/33/06/48/1336330648.db2.gz ISSOSFWGEZZZEB-ZDUSSCGKSA-N 1 2 348.874 3.375 20 30 EGEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)C1CCCC1 ZINC001006534032 1336521596 /nfs/dbraw/zinc/52/15/96/1336521596.db2.gz JCVKTCCGGFCCLW-LJQANCHMSA-N 1 2 344.886 3.462 20 30 EGEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)C1CCCC1 ZINC001006534032 1336521597 /nfs/dbraw/zinc/52/15/97/1336521597.db2.gz JCVKTCCGGFCCLW-LJQANCHMSA-N 1 2 344.886 3.462 20 30 EGEDLO CC(C)(F)C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001006550132 1336523380 /nfs/dbraw/zinc/52/33/80/1336523380.db2.gz CUIPFYNZXAMIDX-MRXNPFEDSA-N 1 2 336.838 3.020 20 30 EGEDLO CC(C)(F)C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001006550132 1336523383 /nfs/dbraw/zinc/52/33/83/1336523383.db2.gz CUIPFYNZXAMIDX-MRXNPFEDSA-N 1 2 336.838 3.020 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)C3CCCCC3)C2)ccc1F ZINC001006607274 1336538016 /nfs/dbraw/zinc/53/80/16/1336538016.db2.gz GPZUMYUJXKVUSQ-GOSISDBHSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)C3CCCCC3)C2)ccc1F ZINC001006607274 1336538018 /nfs/dbraw/zinc/53/80/18/1336538018.db2.gz GPZUMYUJXKVUSQ-GOSISDBHSA-N 1 2 343.446 3.358 20 30 EGEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CC=CCC1 ZINC001006713454 1336561843 /nfs/dbraw/zinc/56/18/43/1336561843.db2.gz BGUDXTZVOXWKPZ-UYAOXDASSA-N 1 2 340.442 3.114 20 30 EGEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CC=CCC1 ZINC001006713454 1336561845 /nfs/dbraw/zinc/56/18/45/1336561845.db2.gz BGUDXTZVOXWKPZ-UYAOXDASSA-N 1 2 340.442 3.114 20 30 EGEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CC=CCC1 ZINC001006713450 1336561921 /nfs/dbraw/zinc/56/19/21/1336561921.db2.gz BGUDXTZVOXWKPZ-AZUAARDMSA-N 1 2 340.442 3.114 20 30 EGEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CC=CCC1 ZINC001006713450 1336561923 /nfs/dbraw/zinc/56/19/23/1336561923.db2.gz BGUDXTZVOXWKPZ-AZUAARDMSA-N 1 2 340.442 3.114 20 30 EGEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)C1CC=CC1 ZINC001006966094 1336616373 /nfs/dbraw/zinc/61/63/73/1336616373.db2.gz BEUZOQXYLZOPBS-LJQANCHMSA-N 1 2 342.870 3.238 20 30 EGEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)C1CC=CC1 ZINC001006966094 1336616376 /nfs/dbraw/zinc/61/63/76/1336616376.db2.gz BEUZOQXYLZOPBS-LJQANCHMSA-N 1 2 342.870 3.238 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)C1CC1 ZINC001007030640 1336628582 /nfs/dbraw/zinc/62/85/82/1336628582.db2.gz SCGWDPXJAFSOPK-DNVCBOLYSA-N 1 2 344.886 3.318 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)C1CC1 ZINC001007030640 1336628585 /nfs/dbraw/zinc/62/85/85/1336628585.db2.gz SCGWDPXJAFSOPK-DNVCBOLYSA-N 1 2 344.886 3.318 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)o1 ZINC001007043736 1336631457 /nfs/dbraw/zinc/63/14/57/1336631457.db2.gz KDXNZIIGFMPDHO-GOSISDBHSA-N 1 2 337.423 3.163 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)o1 ZINC001007043736 1336631459 /nfs/dbraw/zinc/63/14/59/1336631459.db2.gz KDXNZIIGFMPDHO-GOSISDBHSA-N 1 2 337.423 3.163 20 30 EGEDLO Cc1cscc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001007057364 1336635587 /nfs/dbraw/zinc/63/55/87/1336635587.db2.gz NUBNNZPMWUBDPC-CYBMUJFWSA-N 1 2 345.493 3.384 20 30 EGEDLO Cc1cscc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001007057364 1336635588 /nfs/dbraw/zinc/63/55/88/1336635588.db2.gz NUBNNZPMWUBDPC-CYBMUJFWSA-N 1 2 345.493 3.384 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC001007474914 1336654344 /nfs/dbraw/zinc/65/43/44/1336654344.db2.gz WGCBQJPWUUONMH-MRXNPFEDSA-N 1 2 331.847 3.194 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC001007474914 1336654350 /nfs/dbraw/zinc/65/43/50/1336654350.db2.gz WGCBQJPWUUONMH-MRXNPFEDSA-N 1 2 331.847 3.194 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3ccc(OC)cc32)C1 ZINC001007514699 1336662101 /nfs/dbraw/zinc/66/21/01/1336662101.db2.gz MSSSTLZNRRAQDJ-DOTOQJQBSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3ccc(OC)cc32)C1 ZINC001007514699 1336662104 /nfs/dbraw/zinc/66/21/04/1336662104.db2.gz MSSSTLZNRRAQDJ-DOTOQJQBSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]([C@H](C)Nc3cc[nH+]c(C)n3)C2)C1 ZINC001063905916 1352079423 /nfs/dbraw/zinc/07/94/23/1352079423.db2.gz ITDNKVIVALMXFO-GOEBONIOSA-N 1 2 328.460 3.180 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1)C1CCC1 ZINC001007597705 1336675191 /nfs/dbraw/zinc/67/51/91/1336675191.db2.gz SMPVWONHWFBDFI-KBXCAEBGSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1)C1CCC1 ZINC001007597705 1336675193 /nfs/dbraw/zinc/67/51/93/1336675193.db2.gz SMPVWONHWFBDFI-KBXCAEBGSA-N 1 2 343.446 3.214 20 30 EGEDLO Cc1ccc(CC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)cc1 ZINC001007829649 1336710536 /nfs/dbraw/zinc/71/05/36/1336710536.db2.gz JIWBTQWLBLMTFE-NRFANRHFSA-N 1 2 347.462 3.190 20 30 EGEDLO Cc1ccc(CC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)cc1 ZINC001007829649 1336710538 /nfs/dbraw/zinc/71/05/38/1336710538.db2.gz JIWBTQWLBLMTFE-NRFANRHFSA-N 1 2 347.462 3.190 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cc3ccc(OC)cc3[nH]2)C1 ZINC001008137992 1336777519 /nfs/dbraw/zinc/77/75/19/1336777519.db2.gz IEAJCZXCXLPMMX-AWEZNQCLSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cc3ccc(OC)cc3[nH]2)C1 ZINC001008137992 1336777522 /nfs/dbraw/zinc/77/75/22/1336777522.db2.gz IEAJCZXCXLPMMX-AWEZNQCLSA-N 1 2 347.846 3.123 20 30 EGEDLO CC1(C)CC[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001008450993 1336857449 /nfs/dbraw/zinc/85/74/49/1336857449.db2.gz SAYUZGOPPTXAMZ-VQIMIIECSA-N 1 2 339.483 3.465 20 30 EGEDLO CC1(C)CC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001008450993 1336857450 /nfs/dbraw/zinc/85/74/50/1336857450.db2.gz SAYUZGOPPTXAMZ-VQIMIIECSA-N 1 2 339.483 3.465 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001008457533 1336859662 /nfs/dbraw/zinc/85/96/62/1336859662.db2.gz JMFRVRGKKKSELO-BPQIPLTHSA-N 1 2 343.446 3.214 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001008457533 1336859665 /nfs/dbraw/zinc/85/96/65/1336859665.db2.gz JMFRVRGKKKSELO-BPQIPLTHSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3nc(C)sc3C)C2)C1 ZINC001008464667 1336863065 /nfs/dbraw/zinc/86/30/65/1336863065.db2.gz OMPGDNGRVWMMAI-HNNXBMFYSA-N 1 2 333.501 3.197 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3nc(C)sc3C)C2)C1 ZINC001008464667 1336863068 /nfs/dbraw/zinc/86/30/68/1336863068.db2.gz OMPGDNGRVWMMAI-HNNXBMFYSA-N 1 2 333.501 3.197 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(c3cccc(OC)c3)CC2)C1 ZINC001008710275 1336915098 /nfs/dbraw/zinc/91/50/98/1336915098.db2.gz LLOJWIBDOYTWQH-MRXNPFEDSA-N 1 2 348.874 3.060 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(c3cccc(OC)c3)CC2)C1 ZINC001008710275 1336915101 /nfs/dbraw/zinc/91/51/01/1336915101.db2.gz LLOJWIBDOYTWQH-MRXNPFEDSA-N 1 2 348.874 3.060 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)cs1 ZINC001008878303 1336936636 /nfs/dbraw/zinc/93/66/36/1336936636.db2.gz XVBCGJUNSRUBNZ-GOSISDBHSA-N 1 2 339.464 3.323 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)cs1 ZINC001008878303 1336936638 /nfs/dbraw/zinc/93/66/38/1336936638.db2.gz XVBCGJUNSRUBNZ-GOSISDBHSA-N 1 2 339.464 3.323 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC001009079310 1336964278 /nfs/dbraw/zinc/96/42/78/1336964278.db2.gz LFLWGJXOOZDFCS-RBUKOAKNSA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC001009079310 1336964280 /nfs/dbraw/zinc/96/42/80/1336964280.db2.gz LFLWGJXOOZDFCS-RBUKOAKNSA-N 1 2 337.467 3.219 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)c2ccc(F)cc2F)C1 ZINC001009586368 1337041343 /nfs/dbraw/zinc/04/13/43/1337041343.db2.gz KAWNWIKDYULAQA-TZMCWYRMSA-N 1 2 342.817 3.401 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)c2ccc(F)cc2F)C1 ZINC001009586368 1337041346 /nfs/dbraw/zinc/04/13/46/1337041346.db2.gz KAWNWIKDYULAQA-TZMCWYRMSA-N 1 2 342.817 3.401 20 30 EGEDLO C=CCOc1ccc(CC(=O)N[C@H]2CCC[N@@H+](CC(=C)Cl)C2)cc1 ZINC001009653874 1337054055 /nfs/dbraw/zinc/05/40/55/1337054055.db2.gz ZREKEFTWRMWAFL-KRWDZBQOSA-N 1 2 348.874 3.127 20 30 EGEDLO C=CCOc1ccc(CC(=O)N[C@H]2CCC[N@H+](CC(=C)Cl)C2)cc1 ZINC001009653874 1337054057 /nfs/dbraw/zinc/05/40/57/1337054057.db2.gz ZREKEFTWRMWAFL-KRWDZBQOSA-N 1 2 348.874 3.127 20 30 EGEDLO Cc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)c1 ZINC001010019125 1337143873 /nfs/dbraw/zinc/14/38/73/1337143873.db2.gz VGQUQFFZYHGFDK-GOSISDBHSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)c1 ZINC001010019125 1337143874 /nfs/dbraw/zinc/14/38/74/1337143874.db2.gz VGQUQFFZYHGFDK-GOSISDBHSA-N 1 2 337.398 3.010 20 30 EGEDLO CC(C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1)=C1CCCC1 ZINC001010512369 1337213457 /nfs/dbraw/zinc/21/34/57/1337213457.db2.gz MLRCCQSNFFISPY-SFHVURJKSA-N 1 2 341.430 3.278 20 30 EGEDLO CC(C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1)=C1CCCC1 ZINC001010512369 1337213460 /nfs/dbraw/zinc/21/34/60/1337213460.db2.gz MLRCCQSNFFISPY-SFHVURJKSA-N 1 2 341.430 3.278 20 30 EGEDLO Cc1sccc1C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001014359217 1337751541 /nfs/dbraw/zinc/75/15/41/1337751541.db2.gz FQFVFYMKOYBKJL-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1sccc1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001014359217 1337751544 /nfs/dbraw/zinc/75/15/44/1337751544.db2.gz FQFVFYMKOYBKJL-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1sccc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001014364165 1337753972 /nfs/dbraw/zinc/75/39/72/1337753972.db2.gz SOMVJWZMVHQSIA-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1sccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001014364165 1337753976 /nfs/dbraw/zinc/75/39/76/1337753976.db2.gz SOMVJWZMVHQSIA-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO CC1(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)CCCC1 ZINC001015436894 1338141660 /nfs/dbraw/zinc/14/16/60/1338141660.db2.gz VBRGGHQNEYXUIN-GOSISDBHSA-N 1 2 344.886 3.462 20 30 EGEDLO CC1(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)CCCC1 ZINC001015436894 1338141661 /nfs/dbraw/zinc/14/16/61/1338141661.db2.gz VBRGGHQNEYXUIN-GOSISDBHSA-N 1 2 344.886 3.462 20 30 EGEDLO CCc1ccccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001015624769 1338213067 /nfs/dbraw/zinc/21/30/67/1338213067.db2.gz PRLANKDEGMTKPE-IBGZPJMESA-N 1 2 333.435 3.125 20 30 EGEDLO CCc1ccccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001015624769 1338213068 /nfs/dbraw/zinc/21/30/68/1338213068.db2.gz PRLANKDEGMTKPE-IBGZPJMESA-N 1 2 333.435 3.125 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)C1 ZINC001015676140 1338252347 /nfs/dbraw/zinc/25/23/47/1338252347.db2.gz HPOSEEWLNLUAQS-SFHVURJKSA-N 1 2 342.870 3.238 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)C1 ZINC001015676140 1338252352 /nfs/dbraw/zinc/25/23/52/1338252352.db2.gz HPOSEEWLNLUAQS-SFHVURJKSA-N 1 2 342.870 3.238 20 30 EGEDLO C=Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)cc1 ZINC001015740556 1338281932 /nfs/dbraw/zinc/28/19/32/1338281932.db2.gz YBMDWHPWKRFOKL-LJQANCHMSA-N 1 2 349.409 3.345 20 30 EGEDLO C=Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)cc1 ZINC001015740556 1338281936 /nfs/dbraw/zinc/28/19/36/1338281936.db2.gz YBMDWHPWKRFOKL-LJQANCHMSA-N 1 2 349.409 3.345 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001015761029 1338294824 /nfs/dbraw/zinc/29/48/24/1338294824.db2.gz CKNCPXLONFLGQX-IBGZPJMESA-N 1 2 344.418 3.044 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001015761029 1338294828 /nfs/dbraw/zinc/29/48/28/1338294828.db2.gz CKNCPXLONFLGQX-IBGZPJMESA-N 1 2 344.418 3.044 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2csc(Cl)c2)C1 ZINC001015793010 1338312680 /nfs/dbraw/zinc/31/26/80/1338312680.db2.gz KAPLHGPFBANGFA-OAHLLOKOSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2csc(Cl)c2)C1 ZINC001015793010 1338312681 /nfs/dbraw/zinc/31/26/81/1338312681.db2.gz KAPLHGPFBANGFA-OAHLLOKOSA-N 1 2 345.855 3.277 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)c2ccc(Cl)s2)C1 ZINC001015963799 1338380718 /nfs/dbraw/zinc/38/07/18/1338380718.db2.gz RJSYPYCELPGRAG-WDEREUQCSA-N 1 2 333.284 3.448 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)c2ccc(Cl)s2)C1 ZINC001015963799 1338380721 /nfs/dbraw/zinc/38/07/21/1338380721.db2.gz RJSYPYCELPGRAG-WDEREUQCSA-N 1 2 333.284 3.448 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2cc3ccccc3o2)C1 ZINC001015966875 1338382748 /nfs/dbraw/zinc/38/27/48/1338382748.db2.gz RIJZESLKTFMIEE-ZFWWWQNUSA-N 1 2 332.831 3.479 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2cc3ccccc3o2)C1 ZINC001015966875 1338382751 /nfs/dbraw/zinc/38/27/51/1338382751.db2.gz RIJZESLKTFMIEE-ZFWWWQNUSA-N 1 2 332.831 3.479 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1)C1CCCC1 ZINC001015972471 1338384907 /nfs/dbraw/zinc/38/49/07/1338384907.db2.gz KCVKZFVXZFPLNP-KDOFPFPSSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1)C1CCCC1 ZINC001015972471 1338384911 /nfs/dbraw/zinc/38/49/11/1338384911.db2.gz KCVKZFVXZFPLNP-KDOFPFPSSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001016304000 1338540781 /nfs/dbraw/zinc/54/07/81/1338540781.db2.gz BWLCVBNVDQPHAQ-DGCLKSJQSA-N 1 2 328.790 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001016304000 1338540783 /nfs/dbraw/zinc/54/07/83/1338540783.db2.gz BWLCVBNVDQPHAQ-DGCLKSJQSA-N 1 2 328.790 3.011 20 30 EGEDLO CC(C)c1occc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001016378083 1338581001 /nfs/dbraw/zinc/58/10/01/1338581001.db2.gz MPRVKGDTPHAIEF-QGZVFWFLSA-N 1 2 337.423 3.279 20 30 EGEDLO CC(C)c1occc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001016378083 1338581004 /nfs/dbraw/zinc/58/10/04/1338581004.db2.gz MPRVKGDTPHAIEF-QGZVFWFLSA-N 1 2 337.423 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@]2(C)CCc3ccccc3C2)C1 ZINC001016449016 1338605226 /nfs/dbraw/zinc/60/52/26/1338605226.db2.gz YDFYMNRUQDLVDN-MJGOQNOKSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C)CCc3ccccc3C2)C1 ZINC001016449016 1338605229 /nfs/dbraw/zinc/60/52/29/1338605229.db2.gz YDFYMNRUQDLVDN-MJGOQNOKSA-N 1 2 332.875 3.125 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001017558547 1339367422 /nfs/dbraw/zinc/36/74/22/1339367422.db2.gz HOEYVODGUFONNT-WCIQWLHISA-N 1 2 336.479 3.125 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001017558547 1339367426 /nfs/dbraw/zinc/36/74/26/1339367426.db2.gz HOEYVODGUFONNT-WCIQWLHISA-N 1 2 336.479 3.125 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001028081798 1340414115 /nfs/dbraw/zinc/41/41/15/1340414115.db2.gz ZMDNASYTLJNLKF-UONOGXRCSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001028081798 1340414119 /nfs/dbraw/zinc/41/41/19/1340414119.db2.gz ZMDNASYTLJNLKF-UONOGXRCSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc2ccccc2n1C ZINC001028103985 1340427802 /nfs/dbraw/zinc/42/78/02/1340427802.db2.gz ACOQRKFUGFOBSO-HNNXBMFYSA-N 1 2 331.847 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc2ccccc2n1C ZINC001028103985 1340427806 /nfs/dbraw/zinc/42/78/06/1340427806.db2.gz ACOQRKFUGFOBSO-HNNXBMFYSA-N 1 2 331.847 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cncc2ccccc21 ZINC001028333692 1340571473 /nfs/dbraw/zinc/57/14/73/1340571473.db2.gz NUONYBOGUGSEJX-OAHLLOKOSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cncc2ccccc21 ZINC001028333692 1340571476 /nfs/dbraw/zinc/57/14/76/1340571476.db2.gz NUONYBOGUGSEJX-OAHLLOKOSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(N(C)C(C)C)cc1 ZINC001028346575 1340586242 /nfs/dbraw/zinc/58/62/42/1340586242.db2.gz AFQUBENUTUUZFC-GOSISDBHSA-N 1 2 349.906 3.478 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N(C)C(C)C)cc1 ZINC001028346575 1340586244 /nfs/dbraw/zinc/58/62/44/1340586244.db2.gz AFQUBENUTUUZFC-GOSISDBHSA-N 1 2 349.906 3.478 20 30 EGEDLO O=C(/C=C\c1ccco1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029192990 1340952077 /nfs/dbraw/zinc/95/20/77/1340952077.db2.gz ZAIKBBRQODSFER-CZQAZGJVSA-N 1 2 346.430 3.020 20 30 EGEDLO O=C(/C=C\c1ccco1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029192990 1340952078 /nfs/dbraw/zinc/95/20/78/1340952078.db2.gz ZAIKBBRQODSFER-CZQAZGJVSA-N 1 2 346.430 3.020 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029432578 1340989370 /nfs/dbraw/zinc/98/93/70/1340989370.db2.gz GUEYWXBWTDNJDK-JKIFEVAISA-N 1 2 343.496 3.231 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029432578 1340989371 /nfs/dbraw/zinc/98/93/71/1340989371.db2.gz GUEYWXBWTDNJDK-JKIFEVAISA-N 1 2 343.496 3.231 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccncc2Cl)CC[C@H]1C ZINC001071845194 1354976160 /nfs/dbraw/zinc/97/61/60/1354976160.db2.gz YIJJBDDZXMCSMD-VXGBXAGGSA-N 1 2 328.243 3.070 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccncc2Cl)CC[C@H]1C ZINC001071845194 1354976164 /nfs/dbraw/zinc/97/61/64/1354976164.db2.gz YIJJBDDZXMCSMD-VXGBXAGGSA-N 1 2 328.243 3.070 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccc3[nH]c(C)nc32)CC[C@@H]1C ZINC001071968389 1355050486 /nfs/dbraw/zinc/05/04/86/1355050486.db2.gz UOLQSAWEXIVDHN-GXTWGEPZSA-N 1 2 346.862 3.207 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cccc3[nH]c(C)nc32)CC[C@@H]1C ZINC001071968389 1355050489 /nfs/dbraw/zinc/05/04/89/1355050489.db2.gz UOLQSAWEXIVDHN-GXTWGEPZSA-N 1 2 346.862 3.207 20 30 EGEDLO C#Cc1ccc(C(=O)NC2C[NH+](Cc3ccc(C(C)C)cc3)C2)cc1 ZINC001030776402 1341223524 /nfs/dbraw/zinc/22/35/24/1341223524.db2.gz GTMDABAELWHLRU-UHFFFAOYSA-N 1 2 332.447 3.406 20 30 EGEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)[C@H]1CC=CCC1 ZINC001031544916 1341366951 /nfs/dbraw/zinc/36/69/51/1341366951.db2.gz UKRQSMLYRCIBAO-SFHVURJKSA-N 1 2 342.870 3.096 20 30 EGEDLO C[C@H]1C[C@H]1c1ccc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)o1 ZINC001031664765 1341385238 /nfs/dbraw/zinc/38/52/38/1341385238.db2.gz PUBIOOBSQXSUTG-QFBILLFUSA-N 1 2 348.446 3.116 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccccc2-c2ccncc2)C1 ZINC001031769553 1341399508 /nfs/dbraw/zinc/39/95/08/1341399508.db2.gz JYPOZWXWNCHBKN-UHFFFAOYSA-N 1 2 341.842 3.163 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc(C)c(Cl)cc2C)C1 ZINC001031895073 1341417892 /nfs/dbraw/zinc/41/78/92/1341417892.db2.gz LLNPGJMPLUMGPH-UHFFFAOYSA-N 1 2 327.255 3.371 20 30 EGEDLO CC1(C)CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031906445 1341419492 /nfs/dbraw/zinc/41/94/92/1341419492.db2.gz NKLXVNZPVQUDGT-KRWDZBQOSA-N 1 2 343.446 3.072 20 30 EGEDLO CC[C@H]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031953579 1341431000 /nfs/dbraw/zinc/43/10/00/1341431000.db2.gz MLWPVWDPEXDKTN-FUHWJXTLSA-N 1 2 343.446 3.072 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cc(C)ccc2F)C1 ZINC001032613989 1341559840 /nfs/dbraw/zinc/55/98/40/1341559840.db2.gz FTHNUSCGZJZVER-IRXDYDNUSA-N 1 2 328.431 3.276 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cc(C)ccc2F)C1 ZINC001032613989 1341559841 /nfs/dbraw/zinc/55/98/41/1341559841.db2.gz FTHNUSCGZJZVER-IRXDYDNUSA-N 1 2 328.431 3.276 20 30 EGEDLO CCc1oc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)cc1C ZINC001032728010 1341593307 /nfs/dbraw/zinc/59/33/07/1341593307.db2.gz JEOVHPDYPZMNCR-ROUUACIJSA-N 1 2 349.434 3.121 20 30 EGEDLO CCc1oc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)cc1C ZINC001032728010 1341593308 /nfs/dbraw/zinc/59/33/08/1341593308.db2.gz JEOVHPDYPZMNCR-ROUUACIJSA-N 1 2 349.434 3.121 20 30 EGEDLO Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)c(C)c1 ZINC001032763128 1341605912 /nfs/dbraw/zinc/60/59/12/1341605912.db2.gz LZWRTMRKNJUJFE-PMACEKPBSA-N 1 2 345.446 3.274 20 30 EGEDLO Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)c(C)c1 ZINC001032763128 1341605913 /nfs/dbraw/zinc/60/59/13/1341605913.db2.gz LZWRTMRKNJUJFE-PMACEKPBSA-N 1 2 345.446 3.274 20 30 EGEDLO CN(C(=O)C[C@@H]1C=CCC1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032897993 1341655790 /nfs/dbraw/zinc/65/57/90/1341655790.db2.gz BMRRWSZKURXHET-DNVCBOLYSA-N 1 2 341.430 3.086 20 30 EGEDLO CN(C(=O)C[C@@H]1C=CCC1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032897993 1341655792 /nfs/dbraw/zinc/65/57/92/1341655792.db2.gz BMRRWSZKURXHET-DNVCBOLYSA-N 1 2 341.430 3.086 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccoc2C(F)(F)F)C1 ZINC001033110658 1341728241 /nfs/dbraw/zinc/72/82/41/1341728241.db2.gz NMSLPHMBNPERNF-SNVBAGLBSA-N 1 2 336.741 3.197 20 30 EGEDLO CN(C(=O)[C@H]1CC1(C)C)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033014281 1341696934 /nfs/dbraw/zinc/69/69/34/1341696934.db2.gz ASDJDQZPDXBIGZ-IAGOWNOFSA-N 1 2 344.886 3.270 20 30 EGEDLO CN(C(=O)[C@H]1CC1(C)C)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033014281 1341696936 /nfs/dbraw/zinc/69/69/36/1341696936.db2.gz ASDJDQZPDXBIGZ-IAGOWNOFSA-N 1 2 344.886 3.270 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC001033090674 1341720198 /nfs/dbraw/zinc/72/01/98/1341720198.db2.gz HLOHSNPCAHJYOP-KSZLIROESA-N 1 2 348.874 3.192 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC001033090674 1341720201 /nfs/dbraw/zinc/72/02/01/1341720201.db2.gz HLOHSNPCAHJYOP-KSZLIROESA-N 1 2 348.874 3.192 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccoc2C(F)(F)F)C1 ZINC001033110658 1341728240 /nfs/dbraw/zinc/72/82/40/1341728240.db2.gz NMSLPHMBNPERNF-SNVBAGLBSA-N 1 2 336.741 3.197 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C2CC3(CCC3)C2)C1 ZINC001033326315 1341781501 /nfs/dbraw/zinc/78/15/01/1341781501.db2.gz LEVDFTAZJNDYOI-CQSZACIVSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CC3(CCC3)C2)C1 ZINC001033326315 1341781503 /nfs/dbraw/zinc/78/15/03/1341781503.db2.gz LEVDFTAZJNDYOI-CQSZACIVSA-N 1 2 341.293 3.008 20 30 EGEDLO CN(C(=O)c1occc1Cl)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033390152 1341809450 /nfs/dbraw/zinc/80/94/50/1341809450.db2.gz CHFJKKYPWIYEPU-LLVKDONJSA-N 1 2 349.843 3.213 20 30 EGEDLO CN(C(=O)c1occc1Cl)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033390152 1341809451 /nfs/dbraw/zinc/80/94/51/1341809451.db2.gz CHFJKKYPWIYEPU-LLVKDONJSA-N 1 2 349.843 3.213 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(N(CC)CC)cc2)C1 ZINC001033612880 1341902420 /nfs/dbraw/zinc/90/24/20/1341902420.db2.gz HUIUIJGDOCGXJE-SFHVURJKSA-N 1 2 349.906 3.432 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(N(CC)CC)cc2)C1 ZINC001033612880 1341902421 /nfs/dbraw/zinc/90/24/21/1341902421.db2.gz HUIUIJGDOCGXJE-SFHVURJKSA-N 1 2 349.906 3.432 20 30 EGEDLO CCN(C(=O)c1ccoc1C)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033751666 1341996673 /nfs/dbraw/zinc/99/66/73/1341996673.db2.gz KTRXKVCLTVXVCG-GOSISDBHSA-N 1 2 337.423 3.196 20 30 EGEDLO CCN(C(=O)c1ccoc1C)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033751666 1341996675 /nfs/dbraw/zinc/99/66/75/1341996675.db2.gz KTRXKVCLTVXVCG-GOSISDBHSA-N 1 2 337.423 3.196 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)c2csc([C@H]3CCCO3)n2)C1 ZINC001033828805 1342028997 /nfs/dbraw/zinc/02/89/97/1342028997.db2.gz RMGMVOKLPLPBPB-GOEBONIOSA-N 1 2 349.500 3.107 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2csc([C@H]3CCCO3)n2)C1 ZINC001033828805 1342028999 /nfs/dbraw/zinc/02/89/99/1342028999.db2.gz RMGMVOKLPLPBPB-GOEBONIOSA-N 1 2 349.500 3.107 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc(C(C)C)on2)C1 ZINC001033915560 1342084869 /nfs/dbraw/zinc/08/48/69/1342084869.db2.gz GJACOOSWNFMUDH-ZDUSSCGKSA-N 1 2 325.840 3.087 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C(C)C)on2)C1 ZINC001033915560 1342084873 /nfs/dbraw/zinc/08/48/73/1342084873.db2.gz GJACOOSWNFMUDH-ZDUSSCGKSA-N 1 2 325.840 3.087 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001033931638 1342095590 /nfs/dbraw/zinc/09/55/90/1342095590.db2.gz PDJGJENRBRENTM-BBRMVZONSA-N 1 2 348.874 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001033931638 1342095595 /nfs/dbraw/zinc/09/55/95/1342095595.db2.gz PDJGJENRBRENTM-BBRMVZONSA-N 1 2 348.874 3.471 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2Cc3ccc(F)cc32)C1 ZINC001033935522 1342098844 /nfs/dbraw/zinc/09/88/44/1342098844.db2.gz GHMVZWIRLWVURC-WBVHZDCISA-N 1 2 336.838 3.141 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2Cc3ccc(F)cc32)C1 ZINC001033935522 1342098849 /nfs/dbraw/zinc/09/88/49/1342098849.db2.gz GHMVZWIRLWVURC-WBVHZDCISA-N 1 2 336.838 3.141 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+]([C@H](C)c3ncccn3)C2)CC1 ZINC001033950522 1342109421 /nfs/dbraw/zinc/10/94/21/1342109421.db2.gz PJVSGBXDEJAHGN-SJLPKXTDSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@H+]([C@H](C)c3ncccn3)C2)CC1 ZINC001033950522 1342109424 /nfs/dbraw/zinc/10/94/24/1342109424.db2.gz PJVSGBXDEJAHGN-SJLPKXTDSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc(N(C)C)c2)C1 ZINC001034027292 1342166764 /nfs/dbraw/zinc/16/67/64/1342166764.db2.gz YHBCYESGBBQXKF-QGZVFWFLSA-N 1 2 335.879 3.042 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(N(C)C)c2)C1 ZINC001034027292 1342166767 /nfs/dbraw/zinc/16/67/67/1342166767.db2.gz YHBCYESGBBQXKF-QGZVFWFLSA-N 1 2 335.879 3.042 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2c(C)noc2C(C)C)C1 ZINC001034254762 1342349942 /nfs/dbraw/zinc/34/99/42/1342349942.db2.gz WYBGCHYAHAOODU-AWEZNQCLSA-N 1 2 339.867 3.443 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2c(C)noc2C(C)C)C1 ZINC001034254762 1342349948 /nfs/dbraw/zinc/34/99/48/1342349948.db2.gz WYBGCHYAHAOODU-AWEZNQCLSA-N 1 2 339.867 3.443 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@@H+](Cc3ccn(CC)n3)C2)CC1 ZINC001034380418 1342450531 /nfs/dbraw/zinc/45/05/31/1342450531.db2.gz JDGAUARIYRKOTM-GOSISDBHSA-N 1 2 344.503 3.120 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@H+](Cc3ccn(CC)n3)C2)CC1 ZINC001034380418 1342450534 /nfs/dbraw/zinc/45/05/34/1342450534.db2.gz JDGAUARIYRKOTM-GOSISDBHSA-N 1 2 344.503 3.120 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2nc(C3CC3)oc2C)C1 ZINC001034463885 1342519610 /nfs/dbraw/zinc/51/96/10/1342519610.db2.gz BKPXEUNVSWGZGB-AWEZNQCLSA-N 1 2 337.851 3.197 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2nc(C3CC3)oc2C)C1 ZINC001034463885 1342519614 /nfs/dbraw/zinc/51/96/14/1342519614.db2.gz BKPXEUNVSWGZGB-AWEZNQCLSA-N 1 2 337.851 3.197 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ncoc2C(C)C)C1 ZINC001034476235 1342531477 /nfs/dbraw/zinc/53/14/77/1342531477.db2.gz HRBOJNXEKBATJU-CYBMUJFWSA-N 1 2 325.840 3.135 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ncoc2C(C)C)C1 ZINC001034476235 1342531481 /nfs/dbraw/zinc/53/14/81/1342531481.db2.gz HRBOJNXEKBATJU-CYBMUJFWSA-N 1 2 325.840 3.135 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccoc1Cl)CC2 ZINC001035692653 1343141022 /nfs/dbraw/zinc/14/10/22/1343141022.db2.gz HXFXDPJCEKUODC-UHFFFAOYSA-N 1 2 329.227 3.224 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC2(C[NH+]([C@@H](C)c3ncccn3)C2)CC1 ZINC001035785720 1343196510 /nfs/dbraw/zinc/19/65/10/1343196510.db2.gz XCJBFBWAOSHPOT-LPHOPBHVSA-N 1 2 342.487 3.064 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC(F)(F)C1)CC2 ZINC001035795616 1343203545 /nfs/dbraw/zinc/20/35/45/1343203545.db2.gz UIKSYASWHSCXRY-AWEZNQCLSA-N 1 2 346.849 3.489 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038146263 1344299212 /nfs/dbraw/zinc/29/92/12/1344299212.db2.gz QLDMQWXFPBITNH-BLLLJJGKSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038146263 1344299213 /nfs/dbraw/zinc/29/92/13/1344299213.db2.gz QLDMQWXFPBITNH-BLLLJJGKSA-N 1 2 342.830 3.105 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2CCCC3(CC3)C2)s1 ZINC001038246143 1344341779 /nfs/dbraw/zinc/34/17/79/1344341779.db2.gz MHXQOVUFQYNBFN-GJZGRUSLSA-N 1 2 343.496 3.281 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2CCCC3(CC3)C2)s1 ZINC001038246143 1344341782 /nfs/dbraw/zinc/34/17/82/1344341782.db2.gz MHXQOVUFQYNBFN-GJZGRUSLSA-N 1 2 343.496 3.281 20 30 EGEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1CCCC2(CC2)C1 ZINC001038248318 1344342500 /nfs/dbraw/zinc/34/25/00/1344342500.db2.gz VGMWZKYNHDBUFJ-WOJBJXKFSA-N 1 2 336.479 3.199 20 30 EGEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1CCCC2(CC2)C1 ZINC001038248318 1344342502 /nfs/dbraw/zinc/34/25/02/1344342502.db2.gz VGMWZKYNHDBUFJ-WOJBJXKFSA-N 1 2 336.479 3.199 20 30 EGEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1CCCC2(CC2)C1 ZINC001038248314 1344343078 /nfs/dbraw/zinc/34/30/78/1344343078.db2.gz VGMWZKYNHDBUFJ-UXHICEINSA-N 1 2 336.479 3.199 20 30 EGEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1CCCC2(CC2)C1 ZINC001038248314 1344343081 /nfs/dbraw/zinc/34/30/81/1344343081.db2.gz VGMWZKYNHDBUFJ-UXHICEINSA-N 1 2 336.479 3.199 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)C23CCC(CC2)CC3)s1 ZINC001039042020 1344729509 /nfs/dbraw/zinc/72/95/09/1344729509.db2.gz FZXYDRAFBRYKCT-XAUUPUKJSA-N 1 2 343.496 3.281 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)C23CCC(CC2)CC3)s1 ZINC001039042020 1344729514 /nfs/dbraw/zinc/72/95/14/1344729514.db2.gz FZXYDRAFBRYKCT-XAUUPUKJSA-N 1 2 343.496 3.281 20 30 EGEDLO CC1(C)CCC[C@H](C(=O)NC[C@H]2CC[N@@H+]2CC#Cc2ccccc2)C1 ZINC001039059074 1344742037 /nfs/dbraw/zinc/74/20/37/1344742037.db2.gz BFWBLPZLKNNZFM-VQTJNVASSA-N 1 2 338.495 3.445 20 30 EGEDLO CC1(C)CCC[C@H](C(=O)NC[C@H]2CC[N@H+]2CC#Cc2ccccc2)C1 ZINC001039059074 1344742040 /nfs/dbraw/zinc/74/20/40/1344742040.db2.gz BFWBLPZLKNNZFM-VQTJNVASSA-N 1 2 338.495 3.445 20 30 EGEDLO CC(C)c1occc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001039059731 1344742431 /nfs/dbraw/zinc/74/24/31/1344742431.db2.gz HNFQHDDQOKGDQH-KRWDZBQOSA-N 1 2 337.423 3.279 20 30 EGEDLO CC(C)c1occc1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001039059731 1344742433 /nfs/dbraw/zinc/74/24/33/1344742433.db2.gz HNFQHDDQOKGDQH-KRWDZBQOSA-N 1 2 337.423 3.279 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CC1 ZINC001039362092 1345028585 /nfs/dbraw/zinc/02/85/85/1345028585.db2.gz JUGRNRYFVMXVEI-CFVMTHIKSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CC1 ZINC001039362092 1345028588 /nfs/dbraw/zinc/02/85/88/1345028588.db2.gz JUGRNRYFVMXVEI-CFVMTHIKSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1CC ZINC001039397743 1345046077 /nfs/dbraw/zinc/04/60/77/1345046077.db2.gz XZBJJUUUNDNFEQ-CVEARBPZSA-N 1 2 333.863 3.075 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1CC ZINC001039397743 1345046079 /nfs/dbraw/zinc/04/60/79/1345046079.db2.gz XZBJJUUUNDNFEQ-CVEARBPZSA-N 1 2 333.863 3.075 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2c1OCC2 ZINC001039440092 1345067797 /nfs/dbraw/zinc/06/77/97/1345067797.db2.gz UAKSHTBJZMFXTR-CVEARBPZSA-N 1 2 346.858 3.053 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2c1OCC2 ZINC001039440092 1345067799 /nfs/dbraw/zinc/06/77/99/1345067799.db2.gz UAKSHTBJZMFXTR-CVEARBPZSA-N 1 2 346.858 3.053 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)n1c(C)ccc1C ZINC001039474593 1345089199 /nfs/dbraw/zinc/08/91/99/1345089199.db2.gz PQFDYBLDDSTHMS-KURKYZTESA-N 1 2 349.906 3.484 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)n1c(C)ccc1C ZINC001039474593 1345089202 /nfs/dbraw/zinc/08/92/02/1345089202.db2.gz PQFDYBLDDSTHMS-KURKYZTESA-N 1 2 349.906 3.484 20 30 EGEDLO Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cccc(C#N)c2)co1 ZINC001039558502 1345141621 /nfs/dbraw/zinc/14/16/21/1345141621.db2.gz HCSKYSQVKJUVBN-BGYRXZFFSA-N 1 2 349.434 3.339 20 30 EGEDLO Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cccc(C#N)c2)co1 ZINC001039558502 1345141622 /nfs/dbraw/zinc/14/16/22/1345141622.db2.gz HCSKYSQVKJUVBN-BGYRXZFFSA-N 1 2 349.434 3.339 20 30 EGEDLO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)c1ccco1 ZINC001079363274 1357232750 /nfs/dbraw/zinc/23/27/50/1357232750.db2.gz WXMWLZLPWZNZIB-RHSMWYFYSA-N 1 2 342.826 3.035 20 30 EGEDLO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)c1ccco1 ZINC001079363274 1357232752 /nfs/dbraw/zinc/23/27/52/1357232752.db2.gz WXMWLZLPWZNZIB-RHSMWYFYSA-N 1 2 342.826 3.035 20 30 EGEDLO C=CCn1cccc1C(=O)N(C)C1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001042930949 1346126468 /nfs/dbraw/zinc/12/64/68/1346126468.db2.gz PCTZUEYYXBRZMT-UHFFFAOYSA-N 1 2 348.450 3.112 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC23CCC3)CC1 ZINC001045572092 1346632136 /nfs/dbraw/zinc/63/21/36/1346632136.db2.gz QTIUXVWLRFMFOA-ZDUSSCGKSA-N 1 2 341.293 3.056 20 30 EGEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)[C@@H]1CC1(C)C ZINC001079587413 1357317737 /nfs/dbraw/zinc/31/77/37/1357317737.db2.gz ZYKFRCJAWWYCTJ-UWWQBHOKSA-N 1 2 344.886 3.174 20 30 EGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)[C@@H]1CC1(C)C ZINC001079587413 1357317739 /nfs/dbraw/zinc/31/77/39/1357317739.db2.gz ZYKFRCJAWWYCTJ-UWWQBHOKSA-N 1 2 344.886 3.174 20 30 EGEDLO C[C@@]1(NC(=O)c2ccsc2)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046128067 1346858618 /nfs/dbraw/zinc/85/86/18/1346858618.db2.gz USPOALMMJCQPHE-GOSISDBHSA-N 1 2 343.427 3.153 20 30 EGEDLO C[C@@]1(NC(=O)c2ccsc2)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046128067 1346858620 /nfs/dbraw/zinc/85/86/20/1346858620.db2.gz USPOALMMJCQPHE-GOSISDBHSA-N 1 2 343.427 3.153 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc3cc(C)ccc3n2)C1 ZINC001046473947 1346987200 /nfs/dbraw/zinc/98/72/00/1346987200.db2.gz RQHBRJAGRADMHQ-IBGZPJMESA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc3cc(C)ccc3n2)C1 ZINC001046473947 1346987201 /nfs/dbraw/zinc/98/72/01/1346987201.db2.gz RQHBRJAGRADMHQ-IBGZPJMESA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3cc(C)ccc3O2)C1 ZINC001046484480 1346991461 /nfs/dbraw/zinc/99/14/61/1346991461.db2.gz LDVWTRKCKJFAKF-PKOBYXMFSA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3cc(C)ccc3O2)C1 ZINC001046484480 1346991463 /nfs/dbraw/zinc/99/14/63/1346991463.db2.gz LDVWTRKCKJFAKF-PKOBYXMFSA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3cccc(OC)c32)C1 ZINC001046687383 1347062141 /nfs/dbraw/zinc/06/21/41/1347062141.db2.gz XTKLNQQKXMSZFU-KXBFYZLASA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3cccc(OC)c32)C1 ZINC001046687383 1347062146 /nfs/dbraw/zinc/06/21/46/1347062146.db2.gz XTKLNQQKXMSZFU-KXBFYZLASA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001046779337 1347096449 /nfs/dbraw/zinc/09/64/49/1347096449.db2.gz RJOJUXUBNLJKMQ-NOLJZWGESA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001046779337 1347096454 /nfs/dbraw/zinc/09/64/54/1347096454.db2.gz RJOJUXUBNLJKMQ-NOLJZWGESA-N 1 2 343.309 3.302 20 30 EGEDLO Cc1cc(N[C@H]2CCCCCN(C(=O)[C@@H](C)C#N)C2)nc(C(C)C)[nH+]1 ZINC001049857710 1348064958 /nfs/dbraw/zinc/06/49/58/1348064958.db2.gz JVNAJDBQGKVXML-HOCLYGCPSA-N 1 2 343.475 3.251 20 30 EGEDLO C[N@@H+](Cc1ccccc1C#N)Cc1ccccc1CNC(=O)C1CC1 ZINC001050241270 1348214577 /nfs/dbraw/zinc/21/45/77/1348214577.db2.gz QMWCFSTZOOVJKM-UHFFFAOYSA-N 1 2 333.435 3.216 20 30 EGEDLO C[N@H+](Cc1ccccc1C#N)Cc1ccccc1CNC(=O)C1CC1 ZINC001050241270 1348214578 /nfs/dbraw/zinc/21/45/78/1348214578.db2.gz QMWCFSTZOOVJKM-UHFFFAOYSA-N 1 2 333.435 3.216 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1oc2c(cccc2C)c1C ZINC001051255974 1348409646 /nfs/dbraw/zinc/40/96/46/1348409646.db2.gz SLZBOYYOIKNANL-MRXNPFEDSA-N 1 2 342.439 3.056 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1oc2c(cccc2C)c1C ZINC001051255974 1348409647 /nfs/dbraw/zinc/40/96/47/1348409647.db2.gz SLZBOYYOIKNANL-MRXNPFEDSA-N 1 2 342.439 3.056 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1sccc1C(C)C ZINC001051254336 1348409651 /nfs/dbraw/zinc/40/96/51/1348409651.db2.gz HHJBOHSPJCPSJS-HNNXBMFYSA-N 1 2 336.501 3.268 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1sccc1C(C)C ZINC001051254336 1348409653 /nfs/dbraw/zinc/40/96/53/1348409653.db2.gz HHJBOHSPJCPSJS-HNNXBMFYSA-N 1 2 336.501 3.268 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc([C@H](C)CC)cc1 ZINC001051259018 1348410616 /nfs/dbraw/zinc/41/06/16/1348410616.db2.gz SIGNVHCFFHJELK-APWZRJJASA-N 1 2 330.472 3.207 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc([C@H](C)CC)cc1 ZINC001051259018 1348410619 /nfs/dbraw/zinc/41/06/19/1348410619.db2.gz SIGNVHCFFHJELK-APWZRJJASA-N 1 2 330.472 3.207 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc2cccc(Cl)c2o1 ZINC001051270095 1348412537 /nfs/dbraw/zinc/41/25/37/1348412537.db2.gz IQFCFIFZAKPAFH-CQSZACIVSA-N 1 2 348.830 3.093 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc2cccc(Cl)c2o1 ZINC001051270095 1348412539 /nfs/dbraw/zinc/41/25/39/1348412539.db2.gz IQFCFIFZAKPAFH-CQSZACIVSA-N 1 2 348.830 3.093 20 30 EGEDLO C=CC[N@@H+]1CCc2c(CNC(=O)c3cccc4nc[nH]c43)cccc2C1 ZINC001051304099 1348426582 /nfs/dbraw/zinc/42/65/82/1348426582.db2.gz SVZREMBEXZSEFK-UHFFFAOYSA-N 1 2 346.434 3.037 20 30 EGEDLO C=CC[N@H+]1CCc2c(CNC(=O)c3cccc4nc[nH]c43)cccc2C1 ZINC001051304099 1348426584 /nfs/dbraw/zinc/42/65/84/1348426584.db2.gz SVZREMBEXZSEFK-UHFFFAOYSA-N 1 2 346.434 3.037 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)c3oncc3C)cccc2C1 ZINC001051306468 1348428044 /nfs/dbraw/zinc/42/80/44/1348428044.db2.gz ZPAWHLCNUCBYDY-UHFFFAOYSA-N 1 2 345.830 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)c3oncc3C)cccc2C1 ZINC001051306468 1348428045 /nfs/dbraw/zinc/42/80/45/1348428045.db2.gz ZPAWHLCNUCBYDY-UHFFFAOYSA-N 1 2 345.830 3.024 20 30 EGEDLO C=C(C)CCC(=O)N(CC)C1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001079877968 1357411785 /nfs/dbraw/zinc/41/17/85/1357411785.db2.gz ZBYOJURJJRSFSP-UHFFFAOYSA-N 1 2 343.471 3.036 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001079946630 1357434966 /nfs/dbraw/zinc/43/49/66/1357434966.db2.gz VZUHTNKXRWNMJZ-VHDGCEQUSA-N 1 2 341.293 3.078 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001079946630 1357434967 /nfs/dbraw/zinc/43/49/67/1357434967.db2.gz VZUHTNKXRWNMJZ-VHDGCEQUSA-N 1 2 341.293 3.078 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](CC)CC1CCCC1)CCO2 ZINC001053455925 1349036926 /nfs/dbraw/zinc/03/69/26/1349036926.db2.gz JEFKTLXBVRPRLQ-SFHVURJKSA-N 1 2 334.504 3.082 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccc(Cl)c1C)O2 ZINC001053604008 1349074010 /nfs/dbraw/zinc/07/40/10/1349074010.db2.gz VEBBXHOJRTUSMD-HNNXBMFYSA-N 1 2 348.874 3.188 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1csc3ccccc13)O2 ZINC001053634097 1349082128 /nfs/dbraw/zinc/08/21/28/1349082128.db2.gz JVBPBMXQPYFNRE-CQSZACIVSA-N 1 2 342.464 3.051 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(Cl)cc1C)O2 ZINC001053658221 1349087920 /nfs/dbraw/zinc/08/79/20/1349087920.db2.gz UINTVEHYNQDXJI-INIZCTEOSA-N 1 2 348.874 3.188 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cccc(C(C)C)n3)cc2C1 ZINC001054272778 1349272490 /nfs/dbraw/zinc/27/24/90/1349272490.db2.gz DREWBIXVRKKIRL-UHFFFAOYSA-N 1 2 333.435 3.084 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cccc(C(C)C)n3)cc2C1 ZINC001054272778 1349272492 /nfs/dbraw/zinc/27/24/92/1349272492.db2.gz DREWBIXVRKKIRL-UHFFFAOYSA-N 1 2 333.435 3.084 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001057225352 1350001481 /nfs/dbraw/zinc/00/14/81/1350001481.db2.gz AVKJXTXWRJAMRA-LJQANCHMSA-N 1 2 330.476 3.043 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)c2cccs2)C1 ZINC001080256619 1357538322 /nfs/dbraw/zinc/53/83/22/1357538322.db2.gz YXONTJNUMKVOIP-DGCLKSJQSA-N 1 2 326.893 3.215 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)c2cccs2)C1 ZINC001080256619 1357538324 /nfs/dbraw/zinc/53/83/24/1357538324.db2.gz YXONTJNUMKVOIP-DGCLKSJQSA-N 1 2 326.893 3.215 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2C[C@@H](Nc3cc(C)[nH+]c(C4CC4)n3)C2)CC1 ZINC001059805607 1350595320 /nfs/dbraw/zinc/59/53/20/1350595320.db2.gz POSSUEOAWWBHII-CALCHBBNSA-N 1 2 340.471 3.468 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2CNc2cc[nH+]c(C)n2)cc1 ZINC001064185781 1352512582 /nfs/dbraw/zinc/51/25/82/1352512582.db2.gz FBQYVOGVKQKERR-OALUTQOASA-N 1 2 348.450 3.167 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001080595866 1357691639 /nfs/dbraw/zinc/69/16/39/1357691639.db2.gz RBHKZARMNYJMSY-BVPBIZIASA-N 1 2 332.875 3.288 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001080595866 1357691644 /nfs/dbraw/zinc/69/16/44/1357691644.db2.gz RBHKZARMNYJMSY-BVPBIZIASA-N 1 2 332.875 3.288 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1sccc1F ZINC001153164337 1380028159 /nfs/dbraw/zinc/02/81/59/1380028159.db2.gz JKUOHGFJJYJOKQ-SNVBAGLBSA-N 1 2 349.269 3.236 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1sccc1F ZINC001153164337 1380028163 /nfs/dbraw/zinc/02/81/63/1380028163.db2.gz JKUOHGFJJYJOKQ-SNVBAGLBSA-N 1 2 349.269 3.236 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@@]2(C)CN(c3cc[nH+]c(C)n3)C[C@@]2(C)C1 ZINC001068424405 1353713508 /nfs/dbraw/zinc/71/35/08/1353713508.db2.gz FHBMQHXGVZQAET-BGYRXZFFSA-N 1 2 342.487 3.062 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[C@H](CNc3cc[nH+]c(C)n3)C2)CC1 ZINC001069505650 1354101278 /nfs/dbraw/zinc/10/12/78/1354101278.db2.gz PKONJIJJWWZFPK-RDJZCZTQSA-N 1 2 328.460 3.228 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC(c4ccccc4)C3)[C@@H]2C1 ZINC001084863567 1358334973 /nfs/dbraw/zinc/33/49/73/1358334973.db2.gz GRZREVYFYUZZCH-LWSMDNFKSA-N 1 2 344.886 3.465 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC(c4ccccc4)C3)[C@@H]2C1 ZINC001084863567 1358334975 /nfs/dbraw/zinc/33/49/75/1358334975.db2.gz GRZREVYFYUZZCH-LWSMDNFKSA-N 1 2 344.886 3.465 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)C(C)(CC)CC)C[C@H](C)O2 ZINC001071244081 1354523242 /nfs/dbraw/zinc/52/32/42/1354523242.db2.gz PBMJEYQLKSEAAI-YJBOKZPZSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C(C)(CC)CC)C[C@H](C)O2 ZINC001071244081 1354523245 /nfs/dbraw/zinc/52/32/45/1354523245.db2.gz PBMJEYQLKSEAAI-YJBOKZPZSA-N 1 2 342.911 3.257 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C2CCC2)C[N@@H+]1CC#Cc1ccccc1Cl ZINC001071302245 1354557241 /nfs/dbraw/zinc/55/72/41/1354557241.db2.gz GOWQCINDQYFECZ-YJBOKZPZSA-N 1 2 344.886 3.461 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C2CCC2)C[N@H+]1CC#Cc1ccccc1Cl ZINC001071302245 1354557244 /nfs/dbraw/zinc/55/72/44/1354557244.db2.gz GOWQCINDQYFECZ-YJBOKZPZSA-N 1 2 344.886 3.461 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3ccc(C#N)s3)C2)o1 ZINC001071332904 1354597957 /nfs/dbraw/zinc/59/79/57/1354597957.db2.gz VQCLHNWWFKSZJF-OCCSQVGLSA-N 1 2 343.452 3.304 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3ccc(C#N)s3)C2)o1 ZINC001071332904 1354597960 /nfs/dbraw/zinc/59/79/60/1354597960.db2.gz VQCLHNWWFKSZJF-OCCSQVGLSA-N 1 2 343.452 3.304 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)c2ccoc2)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC001071349812 1354617380 /nfs/dbraw/zinc/61/73/80/1354617380.db2.gz MAJFFBMPCINMTF-GUYCJALGSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)c2ccoc2)C[N@H+]1Cc1ccc(C#N)cc1F ZINC001071349812 1354617383 /nfs/dbraw/zinc/61/73/83/1354617383.db2.gz MAJFFBMPCINMTF-GUYCJALGSA-N 1 2 341.386 3.073 20 30 EGEDLO Cc1ccncc1C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001071406375 1354670175 /nfs/dbraw/zinc/67/01/75/1354670175.db2.gz JVVRBCFYRGUIKB-QFBILLFUSA-N 1 2 348.450 3.045 20 30 EGEDLO Cc1ccncc1C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001071406375 1354670181 /nfs/dbraw/zinc/67/01/81/1354670181.db2.gz JVVRBCFYRGUIKB-QFBILLFUSA-N 1 2 348.450 3.045 20 30 EGEDLO Cc1cccnc1C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001071416444 1354681250 /nfs/dbraw/zinc/68/12/50/1354681250.db2.gz JFSXOCGMJFJZJM-QFBILLFUSA-N 1 2 348.450 3.045 20 30 EGEDLO Cc1cccnc1C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001071416444 1354681253 /nfs/dbraw/zinc/68/12/53/1354681253.db2.gz JFSXOCGMJFJZJM-QFBILLFUSA-N 1 2 348.450 3.045 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3ccccc3C#N)C2)co1 ZINC001071461615 1354707862 /nfs/dbraw/zinc/70/78/62/1354707862.db2.gz VAUZSLKTAAEWIP-LIRRHRJNSA-N 1 2 337.423 3.243 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3ccccc3C#N)C2)co1 ZINC001071461615 1354707863 /nfs/dbraw/zinc/70/78/63/1354707863.db2.gz VAUZSLKTAAEWIP-LIRRHRJNSA-N 1 2 337.423 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc3oc(C)nc3c2)CC[C@@H]1C ZINC001071600630 1354788753 /nfs/dbraw/zinc/78/87/53/1354788753.db2.gz OJVLNLCOAMTNSV-WFASDCNBSA-N 1 2 347.846 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc3oc(C)nc3c2)CC[C@@H]1C ZINC001071600630 1354788757 /nfs/dbraw/zinc/78/87/57/1354788757.db2.gz OJVLNLCOAMTNSV-WFASDCNBSA-N 1 2 347.846 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc(OC)cc2F)CC[C@H]1C ZINC001071647729 1354825930 /nfs/dbraw/zinc/82/59/30/1354825930.db2.gz JIYXCSNGSJTZJN-CHWSQXEVSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc(OC)cc2F)CC[C@H]1C ZINC001071647729 1354825932 /nfs/dbraw/zinc/82/59/32/1354825932.db2.gz JIYXCSNGSJTZJN-CHWSQXEVSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc(C)n(CC)c2C)CC[C@@H]1C ZINC001071663403 1354834717 /nfs/dbraw/zinc/83/47/17/1354834717.db2.gz 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C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2ccc(F)c(F)c2)CC[C@@H]1C ZINC001071775879 1354923103 /nfs/dbraw/zinc/92/31/03/1354923103.db2.gz JJEMVOHFVHQOMJ-GXTWGEPZSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2ccc(F)c(F)c2)CC[C@@H]1C ZINC001071775879 1354923110 /nfs/dbraw/zinc/92/31/10/1354923110.db2.gz JJEMVOHFVHQOMJ-GXTWGEPZSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc(F)c(F)c(F)c2)CC[C@@H]1C ZINC001071840171 1354971946 /nfs/dbraw/zinc/97/19/46/1354971946.db2.gz KLGTUJQIPZPJSN-CMPLNLGQSA-N 1 2 346.780 3.439 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc(F)c(F)c(F)c2)CC[C@@H]1C ZINC001071840171 1354971950 /nfs/dbraw/zinc/97/19/50/1354971950.db2.gz KLGTUJQIPZPJSN-CMPLNLGQSA-N 1 2 346.780 3.439 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2csc(C3CC3)n2)CC[C@H]1C ZINC001072112646 1355137642 /nfs/dbraw/zinc/13/76/42/1355137642.db2.gz DBCAPHFXPLSDKM-YPMHNXCESA-N 1 2 339.892 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2csc(C3CC3)n2)CC[C@H]1C ZINC001072112646 1355137645 /nfs/dbraw/zinc/13/76/45/1355137645.db2.gz DBCAPHFXPLSDKM-YPMHNXCESA-N 1 2 339.892 3.356 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)c3cccc(C)c3)C2)C1 ZINC001072435147 1355286818 /nfs/dbraw/zinc/28/68/18/1355286818.db2.gz VTUYCLQNTZKLEC-UHFFFAOYSA-N 1 2 349.272 3.052 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)c3cccc(C)c3)C2)C1 ZINC001072435147 1355286823 /nfs/dbraw/zinc/28/68/23/1355286823.db2.gz VTUYCLQNTZKLEC-UHFFFAOYSA-N 1 2 349.272 3.052 20 30 EGEDLO CC(C)c1cnc(C[N@H+](C)C[C@H]2CCCCN2C(=O)C#CC2CC2)o1 ZINC001074012608 1356034652 /nfs/dbraw/zinc/03/46/52/1356034652.db2.gz DEEBNZOHMHOVAG-QGZVFWFLSA-N 1 2 343.471 3.024 20 30 EGEDLO CC(C)c1cnc(C[N@@H+](C)C[C@H]2CCCCN2C(=O)C#CC2CC2)o1 ZINC001074012608 1356034655 /nfs/dbraw/zinc/03/46/55/1356034655.db2.gz DEEBNZOHMHOVAG-QGZVFWFLSA-N 1 2 343.471 3.024 20 30 EGEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(CCC)s3)C[C@@H]21 ZINC001074255731 1356145297 /nfs/dbraw/zinc/14/52/97/1356145297.db2.gz IZHPLSOWNTZZHZ-DLBZAZTESA-N 1 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C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C3(CC)CCCCC3)C[C@H]21 ZINC001074409934 1356195205 /nfs/dbraw/zinc/19/52/05/1356195205.db2.gz KBHDTTAOCBPYRN-MSOLQXFVSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C3(CC)CCCCC3)C[C@H]21 ZINC001074409934 1356195208 /nfs/dbraw/zinc/19/52/08/1356195208.db2.gz KBHDTTAOCBPYRN-MSOLQXFVSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3Cl)C[C@H]2OC)C1 ZINC001082111235 1357949697 /nfs/dbraw/zinc/94/96/97/1357949697.db2.gz WJDMVBGRCZOXMT-IAGOWNOFSA-N 1 2 348.874 3.012 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3Cl)C[C@H]2OC)C1 ZINC001082111235 1357949699 /nfs/dbraw/zinc/94/96/99/1357949699.db2.gz WJDMVBGRCZOXMT-IAGOWNOFSA-N 1 2 348.874 3.012 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C)n(CC)c3C)[C@@H]2C1 ZINC001084495106 1358225984 /nfs/dbraw/zinc/22/59/84/1358225984.db2.gz FLMCXCAORSVEHG-NVXWUHKLSA-N 1 2 335.879 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C)n(CC)c3C)[C@@H]2C1 ZINC001084495106 1358225985 /nfs/dbraw/zinc/22/59/85/1358225985.db2.gz FLMCXCAORSVEHG-NVXWUHKLSA-N 1 2 335.879 3.024 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)C3CC4(CCC4)C3)[C@@H]2C1 ZINC001084591619 1358249642 /nfs/dbraw/zinc/24/96/42/1358249642.db2.gz RDAMHJFLILTBQZ-UYAOXDASSA-N 1 2 349.478 3.171 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC4(CCC4)C3)[C@@H]2C1 ZINC001084591619 1358249648 /nfs/dbraw/zinc/24/96/48/1358249648.db2.gz RDAMHJFLILTBQZ-UYAOXDASSA-N 1 2 349.478 3.171 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4nc(C)cs4)C[C@H]32)CC1 ZINC001084634367 1358262480 /nfs/dbraw/zinc/26/24/80/1358262480.db2.gz NHDICEOEKBOGGX-IAGOWNOFSA-N 1 2 345.512 3.231 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4nc(C)cs4)C[C@H]32)CC1 ZINC001084634367 1358262485 /nfs/dbraw/zinc/26/24/85/1358262485.db2.gz NHDICEOEKBOGGX-IAGOWNOFSA-N 1 2 345.512 3.231 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C4CC4)no3)C[C@H]21 ZINC001084635298 1358262882 /nfs/dbraw/zinc/26/28/82/1358262882.db2.gz VNRBNECLBZOZMW-XFQXTVEOSA-N 1 2 343.471 3.187 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C4CC4)no3)C[C@H]21 ZINC001084635298 1358262886 /nfs/dbraw/zinc/26/28/86/1358262886.db2.gz VNRBNECLBZOZMW-XFQXTVEOSA-N 1 2 343.471 3.187 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](Cc3ncoc3C(C)C)C[C@H]21 ZINC001084634885 1358263152 /nfs/dbraw/zinc/26/31/52/1358263152.db2.gz ILRHCWBIIQQUJC-WRWLIDTKSA-N 1 2 345.487 3.433 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](Cc3ncoc3C(C)C)C[C@H]21 ZINC001084634885 1358263155 /nfs/dbraw/zinc/26/31/55/1358263155.db2.gz ILRHCWBIIQQUJC-WRWLIDTKSA-N 1 2 345.487 3.433 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](Cc3ncc(C)s3)C[C@H]21 ZINC001084635401 1358263603 /nfs/dbraw/zinc/26/36/03/1358263603.db2.gz YQOBSAQIBUKYEC-IIDMSEBBSA-N 1 2 333.501 3.087 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](Cc3ncc(C)s3)C[C@H]21 ZINC001084635401 1358263606 /nfs/dbraw/zinc/26/36/06/1358263606.db2.gz YQOBSAQIBUKYEC-IIDMSEBBSA-N 1 2 333.501 3.087 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)c3cccc(C)c3)[C@@H]2C1 ZINC001084689466 1358281991 /nfs/dbraw/zinc/28/19/91/1358281991.db2.gz HEQNOBSZRPWMPP-CGTJXYLNSA-N 1 2 332.875 3.384 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)c3cccc(C)c3)[C@@H]2C1 ZINC001084689466 1358281993 /nfs/dbraw/zinc/28/19/93/1358281993.db2.gz HEQNOBSZRPWMPP-CGTJXYLNSA-N 1 2 332.875 3.384 20 30 EGEDLO COc1ccc2nc(N[NH+]=Cc3cccnc3N(C)C)c(C)cc2c1 ZINC001323312663 1387333574 /nfs/dbraw/zinc/33/35/74/1387333574.db2.gz VIBJHHFHLWNWLZ-UHFFFAOYSA-N 1 2 335.411 3.459 20 30 EGEDLO Cc1cc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)c(C)o1 ZINC001085478107 1358530111 /nfs/dbraw/zinc/53/01/11/1358530111.db2.gz OXVIRDHSXMYTIO-AWEZNQCLSA-N 1 2 343.452 3.176 20 30 EGEDLO Cc1cc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)c(C)o1 ZINC001085478107 1358530114 /nfs/dbraw/zinc/53/01/14/1358530114.db2.gz OXVIRDHSXMYTIO-AWEZNQCLSA-N 1 2 343.452 3.176 20 30 EGEDLO C=CCOc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2C/C=C\Cl)cc1 ZINC001085678755 1358681739 /nfs/dbraw/zinc/68/17/39/1358681739.db2.gz QJMSMPNDHQBELM-AGHZKPIHSA-N 1 2 334.847 3.150 20 30 EGEDLO C=CCOc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2C/C=C\Cl)cc1 ZINC001085678755 1358681742 /nfs/dbraw/zinc/68/17/42/1358681742.db2.gz QJMSMPNDHQBELM-AGHZKPIHSA-N 1 2 334.847 3.150 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)CC1 ZINC001085935287 1358888925 /nfs/dbraw/zinc/88/89/25/1358888925.db2.gz AYDCOLYTMNTUJH-JBACZVJFSA-N 1 2 338.495 3.397 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CC#Cc2ccccc2)CC1 ZINC001085935287 1358888926 /nfs/dbraw/zinc/88/89/26/1358888926.db2.gz AYDCOLYTMNTUJH-JBACZVJFSA-N 1 2 338.495 3.397 20 30 EGEDLO N#CCCN(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(N)[nH+]c1 ZINC001183933680 1387373229 /nfs/dbraw/zinc/37/32/29/1387373229.db2.gz SKXKJIOIQFRIPO-UHFFFAOYSA-N 1 2 342.830 3.192 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)C2CC=CC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087527653 1359512154 /nfs/dbraw/zinc/51/21/54/1359512154.db2.gz UEDQAARENYDLFV-RBUKOAKNSA-N 1 2 341.430 3.133 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)C2CC=CC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087527653 1359512155 /nfs/dbraw/zinc/51/21/55/1359512155.db2.gz UEDQAARENYDLFV-RBUKOAKNSA-N 1 2 341.430 3.133 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2CC(C)(C)C2)[C@H]1CC ZINC001087561461 1359531503 /nfs/dbraw/zinc/53/15/03/1359531503.db2.gz WSKMVYVFRPIPRF-UONOGXRCSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2CC(C)(C)C2)[C@H]1CC ZINC001087561461 1359531506 /nfs/dbraw/zinc/53/15/06/1359531506.db2.gz WSKMVYVFRPIPRF-UONOGXRCSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ncsc2C2CC2)[C@H]1CC ZINC001087724082 1359612423 /nfs/dbraw/zinc/61/24/23/1359612423.db2.gz VEPFPKDYVHFPMC-QWHCGFSZSA-N 1 2 339.892 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ncsc2C2CC2)[C@H]1CC ZINC001087724082 1359612425 /nfs/dbraw/zinc/61/24/25/1359612425.db2.gz VEPFPKDYVHFPMC-QWHCGFSZSA-N 1 2 339.892 3.356 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2occ3c2CCC3)CC[N@@H+]1Cc1ccccc1C#N ZINC001088773580 1360038443 /nfs/dbraw/zinc/03/84/43/1360038443.db2.gz RTVBZBMQJCQYIU-KUHUBIRLSA-N 1 2 349.434 3.033 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2occ3c2CCC3)CC[N@H+]1Cc1ccccc1C#N ZINC001088773580 1360038447 /nfs/dbraw/zinc/03/84/47/1360038447.db2.gz RTVBZBMQJCQYIU-KUHUBIRLSA-N 1 2 349.434 3.033 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nccc3ccccc32)[C@H]1C ZINC001088825100 1360064799 /nfs/dbraw/zinc/06/47/99/1360064799.db2.gz OLKLJQHDPSKGCW-CJNGLKHVSA-N 1 2 329.831 3.180 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nccc3ccccc32)[C@H]1C ZINC001088825100 1360064803 /nfs/dbraw/zinc/06/48/03/1360064803.db2.gz OLKLJQHDPSKGCW-CJNGLKHVSA-N 1 2 329.831 3.180 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccccc2F)[C@H]1C ZINC001088921944 1360103723 /nfs/dbraw/zinc/10/37/23/1360103723.db2.gz KSULGTJKAZIEPC-CJNGLKHVSA-N 1 2 338.854 3.435 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccccc2F)[C@H]1C ZINC001088921944 1360103725 /nfs/dbraw/zinc/10/37/25/1360103725.db2.gz KSULGTJKAZIEPC-CJNGLKHVSA-N 1 2 338.854 3.435 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccc(F)cc2F)[C@H]1C ZINC001089051017 1360147286 /nfs/dbraw/zinc/14/72/86/1360147286.db2.gz YVDBQQWVMFUXAR-OZVIIMIRSA-N 1 2 342.817 3.400 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccc(F)cc2F)[C@H]1C ZINC001089051017 1360147288 /nfs/dbraw/zinc/14/72/88/1360147288.db2.gz YVDBQQWVMFUXAR-OZVIIMIRSA-N 1 2 342.817 3.400 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1OCC[C@H]1CC ZINC001089652693 1360565627 /nfs/dbraw/zinc/56/56/27/1360565627.db2.gz JUVFCEFMCRVFSZ-OAGGEKHMSA-N 1 2 342.911 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1OCC[C@H]1CC ZINC001089652693 1360565630 /nfs/dbraw/zinc/56/56/30/1360565630.db2.gz JUVFCEFMCRVFSZ-OAGGEKHMSA-N 1 2 342.911 3.161 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H](C)N(CC)c1nc(C)[nH+]c(C)c1C ZINC001089722977 1360626473 /nfs/dbraw/zinc/62/64/73/1360626473.db2.gz LSZBDXLJPQMPKB-CXAGYDPISA-N 1 2 332.492 3.335 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]c(C)n3)C23CCC3)CC1 ZINC001090622577 1360918161 /nfs/dbraw/zinc/91/81/61/1360918161.db2.gz WGAOWOKHEWFVQG-CVEARBPZSA-N 1 2 340.471 3.371 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@@H](C)C[C@H]1CNc1cc[nH+]c(C)n1 ZINC001091679079 1361177892 /nfs/dbraw/zinc/17/78/92/1361177892.db2.gz AJHAOTWVWPLLBI-WBVHZDCISA-N 1 2 328.460 3.018 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNc1cc[nH+]c(C)n1 ZINC001091692644 1361181815 /nfs/dbraw/zinc/18/18/15/1361181815.db2.gz JTTXNIQMFZSLKF-INMHGKMJSA-N 1 2 330.476 3.426 20 30 EGEDLO Cc1cc(N2CC[C@H](NC(=O)C#CC(C)(C)C)[C@H]2C)nc(C(C)C)[nH+]1 ZINC001091962148 1361260740 /nfs/dbraw/zinc/26/07/40/1361260740.db2.gz QJYRFQYRHPNQAN-CVEARBPZSA-N 1 2 342.487 3.041 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001092055032 1361284522 /nfs/dbraw/zinc/28/45/22/1361284522.db2.gz OUEHODAYIPVMOC-ZBFHGGJFSA-N 1 2 342.487 3.348 20 30 EGEDLO C=CCCC(=O)N1C[C@@H](CNc2cc(C)[nH+]c(C3CC3)n2)[C@H](C)C1 ZINC001092634511 1361428640 /nfs/dbraw/zinc/42/86/40/1361428640.db2.gz XPIXQHPNRQPXDG-CZUORRHYSA-N 1 2 328.460 3.135 20 30 EGEDLO C=CCCC(=O)NC[C@]12CCC[C@H]1N(c1nc(C)[nH+]c(C)c1C)CC2 ZINC001092685392 1361441602 /nfs/dbraw/zinc/44/16/02/1361441602.db2.gz YGHVVHPEIUKNEV-YLJYHZDGSA-N 1 2 342.487 3.233 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(C(C)C)n1 ZINC001092950424 1361494500 /nfs/dbraw/zinc/49/45/00/1361494500.db2.gz HGNAJBRLSQBFPO-OAGGEKHMSA-N 1 2 328.460 3.101 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001093014414 1361508434 /nfs/dbraw/zinc/50/84/34/1361508434.db2.gz BMADVFJRAVTDJI-OAGGEKHMSA-N 1 2 342.487 3.176 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NC1CC2(C1)CC(Nc1cc[nH+]c(C)n1)C2 ZINC001093438565 1361623224 /nfs/dbraw/zinc/62/32/24/1361623224.db2.gz SFNJUGDQJXOCRL-IPWTZDCISA-N 1 2 328.460 3.083 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NC1CC2(C1)CC(Nc1cc[nH+]c(C)n1)C2 ZINC001093438564 1361623368 /nfs/dbraw/zinc/62/33/68/1361623368.db2.gz SFNJUGDQJXOCRL-GCQKKMNYSA-N 1 2 328.460 3.083 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@]3(C)CCC[C@H]3CC)CC2)C1 ZINC001093546539 1361639148 /nfs/dbraw/zinc/63/91/48/1361639148.db2.gz OIFLZEOJFAUMKO-UTKZUKDTSA-N 1 2 348.531 3.471 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H](CC)CC3CCCC3)CC2)C1 ZINC001093579003 1361647919 /nfs/dbraw/zinc/64/79/19/1361647919.db2.gz LKKAPTXVICDWDY-SFHVURJKSA-N 1 2 348.531 3.471 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@]3(C)CC=C(C)CC3)CC2)C1 ZINC001093598377 1361652847 /nfs/dbraw/zinc/65/28/47/1361652847.db2.gz KQEGNPMSBQWCDJ-HXUWFJFHSA-N 1 2 332.488 3.001 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3ccc(CF)cc3)CC2)C1 ZINC001093600096 1361654687 /nfs/dbraw/zinc/65/46/87/1361654687.db2.gz NYIBNNDTXFBOKS-UHFFFAOYSA-N 1 2 346.446 3.038 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095074261 1362004631 /nfs/dbraw/zinc/00/46/31/1362004631.db2.gz NOVRCLFVJNEEHH-GDBMZVCRSA-N 1 2 328.460 3.278 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001095141833 1362030148 /nfs/dbraw/zinc/03/01/48/1362030148.db2.gz WTTQTCCWTKROLX-GOSISDBHSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095150664 1362033175 /nfs/dbraw/zinc/03/31/75/1362033175.db2.gz PUIBJZGOOYBDNC-RDJZCZTQSA-N 1 2 342.487 3.302 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2=CCCC2)C3)c(F)c1 ZINC001095305474 1362091163 /nfs/dbraw/zinc/09/11/63/1362091163.db2.gz PFMKIDMEQQKBJT-NEWSRXKRSA-N 1 2 339.414 3.029 20 30 EGEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2=CCCC2)C3)c(F)c1 ZINC001095305474 1362091166 /nfs/dbraw/zinc/09/11/66/1362091166.db2.gz PFMKIDMEQQKBJT-NEWSRXKRSA-N 1 2 339.414 3.029 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095440744 1362141853 /nfs/dbraw/zinc/14/18/53/1362141853.db2.gz WEQLFQMVJGZQIH-CYBMUJFWSA-N 1 2 330.476 3.089 20 30 EGEDLO CC#CCCCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001095802435 1362235087 /nfs/dbraw/zinc/23/50/87/1362235087.db2.gz QXBWTMYKVGCLPG-DOTOQJQBSA-N 1 2 328.460 3.160 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccns2)CC1 ZINC001095968219 1362314152 /nfs/dbraw/zinc/31/41/52/1362314152.db2.gz NSNZYEHRJUWZMS-PVAVHDDUSA-N 1 2 331.485 3.111 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccns2)CC1 ZINC001095968219 1362314153 /nfs/dbraw/zinc/31/41/53/1362314153.db2.gz NSNZYEHRJUWZMS-PVAVHDDUSA-N 1 2 331.485 3.111 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3[nH]ccc31)C2 ZINC001096049605 1362351813 /nfs/dbraw/zinc/35/18/13/1362351813.db2.gz OBKPQBVJXRPCEH-DQYPLSBCSA-N 1 2 329.831 3.256 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3[nH]ccc31)C2 ZINC001096049605 1362351816 /nfs/dbraw/zinc/35/18/16/1362351816.db2.gz OBKPQBVJXRPCEH-DQYPLSBCSA-N 1 2 329.831 3.256 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001096220853 1362438707 /nfs/dbraw/zinc/43/87/07/1362438707.db2.gz JWOBKPOZZBFZET-DLBZAZTESA-N 1 2 330.476 3.089 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096235992 1362446588 /nfs/dbraw/zinc/44/65/88/1362446588.db2.gz FXHRZZSXMCPBKJ-INIZCTEOSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC(C(F)(F)F)(C1)C3)C2 ZINC001096618630 1362599040 /nfs/dbraw/zinc/59/90/40/1362599040.db2.gz LFAIQAOQOFNBIQ-LYASGUMJSA-N 1 2 348.796 3.193 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC(C(F)(F)F)(C1)C3)C2 ZINC001096618630 1362599045 /nfs/dbraw/zinc/59/90/45/1362599045.db2.gz LFAIQAOQOFNBIQ-LYASGUMJSA-N 1 2 348.796 3.193 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](Nc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001096776205 1362700862 /nfs/dbraw/zinc/70/08/62/1362700862.db2.gz BJEIHJZAYKUWHT-QGZVFWFLSA-N 1 2 340.471 3.163 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC=CCC1)C2 ZINC001096794454 1362714651 /nfs/dbraw/zinc/71/46/51/1362714651.db2.gz ROYCJOHZHYIHNR-XLNTUCKNSA-N 1 2 335.451 3.136 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC=CCC1)C2 ZINC001096794454 1362714655 /nfs/dbraw/zinc/71/46/55/1362714655.db2.gz ROYCJOHZHYIHNR-XLNTUCKNSA-N 1 2 335.451 3.136 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@@H](CN(C)c2cc[nH+]c(C)n2)C1 ZINC001096876034 1362763436 /nfs/dbraw/zinc/76/34/36/1362763436.db2.gz QVMIBGKXTBSHFZ-IRXDYDNUSA-N 1 2 330.476 3.062 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096972225 1362798886 /nfs/dbraw/zinc/79/88/86/1362798886.db2.gz NOVRCLFVJNEEHH-ZBFHGGJFSA-N 1 2 328.460 3.278 20 30 EGEDLO CCCCCCCCOCC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001096980174 1362802812 /nfs/dbraw/zinc/80/28/12/1362802812.db2.gz XJSVRSLQNZWYNA-KRWDZBQOSA-N 1 2 348.491 3.175 20 30 EGEDLO CCc1occc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001097016057 1362811997 /nfs/dbraw/zinc/81/19/97/1362811997.db2.gz CVYXIWOYFYGDHK-QRQLOZEOSA-N 1 2 349.434 3.249 20 30 EGEDLO CCc1occc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001097016057 1362812001 /nfs/dbraw/zinc/81/20/01/1362812001.db2.gz CVYXIWOYFYGDHK-QRQLOZEOSA-N 1 2 349.434 3.249 20 30 EGEDLO C#CC[C@H](CC(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001097044156 1362822024 /nfs/dbraw/zinc/82/20/24/1362822024.db2.gz IYTQWZUMJTXRCN-GUDVDZBRSA-N 1 2 348.450 3.041 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097068856 1362831956 /nfs/dbraw/zinc/83/19/56/1362831956.db2.gz KIFPJJYCPNBJAS-SHTZXODSSA-N 1 2 328.460 3.324 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097342066 1362943092 /nfs/dbraw/zinc/94/30/92/1362943092.db2.gz QXKMBMLOADXCCF-KSSFIOAISA-N 1 2 344.503 3.337 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097363191 1362952503 /nfs/dbraw/zinc/95/25/03/1362952503.db2.gz KMEGHGGFCAADMB-OAHLLOKOSA-N 1 2 328.460 3.279 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc(C3CC3)c1)C2 ZINC001097447476 1362995084 /nfs/dbraw/zinc/99/50/84/1362995084.db2.gz MTQWYYXIXDXFSO-OIISXLGYSA-N 1 2 331.847 3.047 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc(C3CC3)c1)C2 ZINC001097447476 1362995087 /nfs/dbraw/zinc/99/50/87/1362995087.db2.gz MTQWYYXIXDXFSO-OIISXLGYSA-N 1 2 331.847 3.047 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CCCCN1c1nc(C)[nH+]c(C)c1C ZINC001097462444 1363004819 /nfs/dbraw/zinc/00/48/19/1363004819.db2.gz KXLMYUFSSYFLQI-KRWDZBQOSA-N 1 2 330.476 3.233 20 30 EGEDLO C=CCCC(=O)N1CCCC[C@@H]1CNc1nc(C)[nH+]c2c1CCCC2 ZINC001097474054 1363010128 /nfs/dbraw/zinc/01/01/28/1363010128.db2.gz DSYLCDKWTXGJTR-MRXNPFEDSA-N 1 2 342.487 3.423 20 30 EGEDLO CCc1ccoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001097793684 1363122249 /nfs/dbraw/zinc/12/22/49/1363122249.db2.gz AHRGHBLNWXZUGG-AQNXPRMDSA-N 1 2 348.446 3.229 20 30 EGEDLO CCc1ccoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001097793684 1363122251 /nfs/dbraw/zinc/12/22/51/1363122251.db2.gz AHRGHBLNWXZUGG-AQNXPRMDSA-N 1 2 348.446 3.229 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccncc2Cl)C1 ZINC001097805701 1363125229 /nfs/dbraw/zinc/12/52/29/1363125229.db2.gz SKCHWDCOUFALCI-OIISXLGYSA-N 1 2 345.874 3.313 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccncc2Cl)C1 ZINC001097805701 1363125230 /nfs/dbraw/zinc/12/52/30/1363125230.db2.gz SKCHWDCOUFALCI-OIISXLGYSA-N 1 2 345.874 3.313 20 30 EGEDLO C=CCCOCC(=O)NC[C@@H](C)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001097920212 1363166827 /nfs/dbraw/zinc/16/68/27/1363166827.db2.gz TXXXNGPYFPAXEN-OAHLLOKOSA-N 1 2 348.491 3.233 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3ccccn3c1)C2 ZINC001097969466 1363183286 /nfs/dbraw/zinc/18/32/86/1363183286.db2.gz ZAGNMGHHKFGIAF-ZACQAIPSSA-N 1 2 329.831 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3ccccn3c1)C2 ZINC001097969466 1363183287 /nfs/dbraw/zinc/18/32/87/1363183287.db2.gz ZAGNMGHHKFGIAF-ZACQAIPSSA-N 1 2 329.831 3.027 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001098523965 1363353460 /nfs/dbraw/zinc/35/34/60/1363353460.db2.gz MYJLMSVBCQKNIM-QGZVFWFLSA-N 1 2 342.487 3.362 20 30 EGEDLO C=C(Cl)C[NH+]1CCC2(CC1)CN(C(C)=O)Cc1ccccc1O2 ZINC001098537588 1363358479 /nfs/dbraw/zinc/35/84/79/1363358479.db2.gz NHHQBZGHOINQRP-UHFFFAOYSA-N 1 2 334.847 3.015 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001098674789 1363429924 /nfs/dbraw/zinc/42/99/24/1363429924.db2.gz DHCSBJGLBWWJPU-INIZCTEOSA-N 1 2 328.460 3.056 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001098705343 1363442262 /nfs/dbraw/zinc/44/22/62/1363442262.db2.gz WZKSCCYVWXSSEM-QGZVFWFLSA-N 1 2 330.476 3.185 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ncc(Cl)s2)C1 ZINC001098941413 1363531569 /nfs/dbraw/zinc/53/15/69/1363531569.db2.gz OKPIPSOFQHWMAG-HZMBPMFUSA-N 1 2 346.283 3.133 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ncc(Cl)s2)C1 ZINC001098941413 1363531572 /nfs/dbraw/zinc/53/15/72/1363531572.db2.gz OKPIPSOFQHWMAG-HZMBPMFUSA-N 1 2 346.283 3.133 20 30 EGEDLO C=CCOCCCC(=O)NCC[C@@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001098998597 1363562329 /nfs/dbraw/zinc/56/23/29/1363562329.db2.gz NHNTYVMETZPBDH-OAHLLOKOSA-N 1 2 348.491 3.198 20 30 EGEDLO Cc1nc(C[N@H+]2CC(C)(C)CC[C@H]2CNC(=O)C#CC(C)C)cs1 ZINC001099065398 1363604099 /nfs/dbraw/zinc/60/40/99/1363604099.db2.gz RTUCYWUYGIHKNT-KRWDZBQOSA-N 1 2 347.528 3.218 20 30 EGEDLO Cc1nc(C[N@@H+]2CC(C)(C)CC[C@H]2CNC(=O)C#CC(C)C)cs1 ZINC001099065398 1363604102 /nfs/dbraw/zinc/60/41/02/1363604102.db2.gz RTUCYWUYGIHKNT-KRWDZBQOSA-N 1 2 347.528 3.218 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2sc(C)nc2C)C1 ZINC001099152820 1363658382 /nfs/dbraw/zinc/65/83/82/1363658382.db2.gz XPQTYPHAPWLPHJ-BBRMVZONSA-N 1 2 339.892 3.097 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2sc(C)nc2C)C1 ZINC001099152820 1363658378 /nfs/dbraw/zinc/65/83/78/1363658378.db2.gz XPQTYPHAPWLPHJ-BBRMVZONSA-N 1 2 339.892 3.097 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nnc(C)o1 ZINC001099193731 1363684608 /nfs/dbraw/zinc/68/46/08/1363684608.db2.gz GFGNYSDCCLNUIO-HZPDHXFCSA-N 1 2 348.491 3.087 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nnc(C)o1 ZINC001099193731 1363684611 /nfs/dbraw/zinc/68/46/11/1363684611.db2.gz GFGNYSDCCLNUIO-HZPDHXFCSA-N 1 2 348.491 3.087 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nccn1C ZINC001099194220 1363685407 /nfs/dbraw/zinc/68/54/07/1363685407.db2.gz MACSCWJJCCJAEX-SJORKVTESA-N 1 2 346.519 3.129 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nccn1C ZINC001099194220 1363685409 /nfs/dbraw/zinc/68/54/09/1363685409.db2.gz MACSCWJJCCJAEX-SJORKVTESA-N 1 2 346.519 3.129 20 30 EGEDLO C=CCCC(=O)NCCC[C@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001099831152 1363953445 /nfs/dbraw/zinc/95/34/45/1363953445.db2.gz FIQWJVUWPQRFJC-KRWDZBQOSA-N 1 2 330.476 3.233 20 30 EGEDLO C=CCC1(C(=O)NCCN(CC)c2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001100705948 1364228744 /nfs/dbraw/zinc/22/87/44/1364228744.db2.gz DTVMRLDGBNRPPY-UHFFFAOYSA-N 1 2 342.487 3.351 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1CCCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC001100872397 1364305367 /nfs/dbraw/zinc/30/53/67/1364305367.db2.gz WCSMJDQPBFWBKV-MRXNPFEDSA-N 1 2 330.476 3.350 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCN(CCC)c1nc(C)[nH+]c(C)c1C ZINC001101189420 1364454875 /nfs/dbraw/zinc/45/48/75/1364454875.db2.gz HRZRMQBTLUQYGF-UHFFFAOYSA-N 1 2 332.492 3.337 20 30 EGEDLO C=CCCC1(C(=O)NCCN(CCC)c2nc(C)[nH+]c(C)c2C)CC1 ZINC001101239349 1364481269 /nfs/dbraw/zinc/48/12/69/1364481269.db2.gz OPWRGOGTJIFGDD-UHFFFAOYSA-N 1 2 344.503 3.481 20 30 EGEDLO Cc1cc(N(CCNC(=O)C#CC(C)(C)C)C2CC2)nc(C(C)C)[nH+]1 ZINC001101335177 1364514063 /nfs/dbraw/zinc/51/40/63/1364514063.db2.gz UIDDBKXGIUWVRC-UHFFFAOYSA-N 1 2 342.487 3.043 20 30 EGEDLO CC(C)C#CC(=O)N(C)CCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001101593930 1364645114 /nfs/dbraw/zinc/64/51/14/1364645114.db2.gz UNMCABGPVBQWKA-UHFFFAOYSA-N 1 2 330.476 3.253 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H]2C[N@H+]([C@@H](C)c3csnn3)C[C@H]2C)CCC1 ZINC001102331828 1365006189 /nfs/dbraw/zinc/00/61/89/1365006189.db2.gz UHZVJMAKHASMLR-QLFBSQMISA-N 1 2 348.516 3.030 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H]2C[N@@H+]([C@@H](C)c3csnn3)C[C@H]2C)CCC1 ZINC001102331828 1365006191 /nfs/dbraw/zinc/00/61/91/1365006191.db2.gz UHZVJMAKHASMLR-QLFBSQMISA-N 1 2 348.516 3.030 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCC[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001102941978 1365306671 /nfs/dbraw/zinc/30/66/71/1365306671.db2.gz QCUHASZBSBSXKQ-QFBILLFUSA-N 1 2 330.476 3.110 20 30 EGEDLO C=CC[C@@H](C(=O)NC[C@@H](CC)Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC001103110648 1365385279 /nfs/dbraw/zinc/38/52/79/1365385279.db2.gz ACTUHXSUXQLEMK-QZTJIDSGSA-N 1 2 338.455 3.452 20 30 EGEDLO C#CCCCCC(=O)N[C@@]1(CNc2cc[nH+]c(C)n2)CCCC[C@H]1C ZINC001103601386 1365666970 /nfs/dbraw/zinc/66/69/70/1365666970.db2.gz HGUDDTNOMWLODR-OXQOHEQNSA-N 1 2 342.487 3.456 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001103701730 1365740163 /nfs/dbraw/zinc/74/01/63/1365740163.db2.gz ZCKFFOBOAOXADA-MRXNPFEDSA-N 1 2 330.476 3.110 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)CNc2cc[nH+]c(C)n2)CCCCC1 ZINC001103992680 1365863215 /nfs/dbraw/zinc/86/32/15/1365863215.db2.gz WMSJZHARADKHPZ-HNNXBMFYSA-N 1 2 330.476 3.476 20 30 EGEDLO C#CCCCCCC(=O)NC[C@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001104177199 1365938250 /nfs/dbraw/zinc/93/82/50/1365938250.db2.gz OOURHONGDQUIAM-OAHLLOKOSA-N 1 2 342.487 3.410 20 30 EGEDLO C=CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2noc(C(C)C)n2)C1 ZINC001104607209 1366099192 /nfs/dbraw/zinc/09/91/92/1366099192.db2.gz MSOVLXWBDXSGCJ-HZPDHXFCSA-N 1 2 348.491 3.124 20 30 EGEDLO CC#CCCCC(=O)N(C)[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104771426 1366165335 /nfs/dbraw/zinc/16/53/35/1366165335.db2.gz LYBAUMIBKJXZMQ-OAHLLOKOSA-N 1 2 342.487 3.116 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@@H](C)C1 ZINC001105055754 1366297055 /nfs/dbraw/zinc/29/70/55/1366297055.db2.gz QVZCLJUGRYGCJY-DOTOQJQBSA-N 1 2 328.460 3.018 20 30 EGEDLO C[N@@H+]1CCc2c(C#N)c(NC(=O)NCc3cccc(F)c3)sc2C1 ZINC001185792687 1387801116 /nfs/dbraw/zinc/80/11/16/1387801116.db2.gz GBAGAZAZAPGVOL-UHFFFAOYSA-N 1 2 344.415 3.068 20 30 EGEDLO C[N@H+]1CCc2c(C#N)c(NC(=O)NCc3cccc(F)c3)sc2C1 ZINC001185792687 1387801122 /nfs/dbraw/zinc/80/11/22/1387801122.db2.gz GBAGAZAZAPGVOL-UHFFFAOYSA-N 1 2 344.415 3.068 20 30 EGEDLO CC#CCCCC(=O)N1CCC[C@@H]([C@@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001105081953 1366314791 /nfs/dbraw/zinc/31/47/91/1366314791.db2.gz UFZZKGMDKGTWKB-NVXWUHKLSA-N 1 2 328.460 3.018 20 30 EGEDLO C#CCCCC(=O)NC[C@@H](Nc1cc(C)[nH+]c(C2CC2)n1)C(C)C ZINC001105162551 1366351113 /nfs/dbraw/zinc/35/11/13/1366351113.db2.gz UNZSGOQWUNOISH-MRXNPFEDSA-N 1 2 328.460 3.019 20 30 EGEDLO C=CC(C)(C)CC(=O)N(C)CCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001105481688 1366488139 /nfs/dbraw/zinc/48/81/39/1366488139.db2.gz ZNVSBCVHZOQUCR-UHFFFAOYSA-N 1 2 344.503 3.161 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N(C)CCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001105547450 1366523492 /nfs/dbraw/zinc/52/34/92/1366523492.db2.gz QHXSDAFDHBIONH-HXUWFJFHSA-N 1 2 344.503 3.161 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CCC[C@@H]2CNc2cc[nH+]c(C)n2)CCC1 ZINC001105691525 1366576249 /nfs/dbraw/zinc/57/62/49/1366576249.db2.gz GVARTWPUDNFFTM-HZPDHXFCSA-N 1 2 328.460 3.228 20 30 EGEDLO C=C(C)CCC(=O)NC/C=C\CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107376980 1366946563 /nfs/dbraw/zinc/94/65/63/1366946563.db2.gz VEROFDWUPJJLJF-SREVYHEPSA-N 1 2 328.460 3.104 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]([N@H+](C)Cc2coc(-c3cccs3)n2)C1 ZINC001189318907 1366988902 /nfs/dbraw/zinc/98/89/02/1366988902.db2.gz SANYTZRIUBGCKF-OAHLLOKOSA-N 1 2 345.468 3.402 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2coc(-c3cccs3)n2)C1 ZINC001189318907 1366988905 /nfs/dbraw/zinc/98/89/05/1366988905.db2.gz SANYTZRIUBGCKF-OAHLLOKOSA-N 1 2 345.468 3.402 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H](C)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001109184889 1366991737 /nfs/dbraw/zinc/99/17/37/1366991737.db2.gz KSNZKUXPBOHDBI-GOEBONIOSA-N 1 2 332.492 3.452 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ncoc2C(C)C)C1 ZINC001189744791 1367100486 /nfs/dbraw/zinc/10/04/86/1367100486.db2.gz ZLTWKCFJXVTBPU-INIZCTEOSA-N 1 2 331.460 3.024 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@H]([N@H+](C)Cc2ncoc2C(C)C)C1 ZINC001189744791 1367100489 /nfs/dbraw/zinc/10/04/89/1367100489.db2.gz ZLTWKCFJXVTBPU-INIZCTEOSA-N 1 2 331.460 3.024 20 30 EGEDLO C#CCCCCC(=O)N(C)CCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001109408302 1367108070 /nfs/dbraw/zinc/10/80/70/1367108070.db2.gz FRUOBCXRJRDBIB-UHFFFAOYSA-N 1 2 328.460 3.116 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)nc1 ZINC001109601981 1367225461 /nfs/dbraw/zinc/22/54/61/1367225461.db2.gz WXVKVKGUEDLCEJ-ILXRZTDVSA-N 1 2 333.863 3.169 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)nc1 ZINC001109601981 1367225465 /nfs/dbraw/zinc/22/54/65/1367225465.db2.gz WXVKVKGUEDLCEJ-ILXRZTDVSA-N 1 2 333.863 3.169 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)CC(C)(C)CC)C1 ZINC001190345181 1367233302 /nfs/dbraw/zinc/23/33/02/1367233302.db2.gz PCXSWBKVJVZXJL-CYBMUJFWSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)CC(C)(C)CC)C1 ZINC001190345181 1367233305 /nfs/dbraw/zinc/23/33/05/1367233305.db2.gz PCXSWBKVJVZXJL-CYBMUJFWSA-N 1 2 331.298 3.254 20 30 EGEDLO C#CCCCCCC(=O)N[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001108046889 1367256757 /nfs/dbraw/zinc/25/67/57/1367256757.db2.gz KCOIJRNCWUIYDZ-OAHLLOKOSA-N 1 2 342.487 3.164 20 30 EGEDLO C#CCCCCCC(=O)N[C@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001108048139 1367257538 /nfs/dbraw/zinc/25/75/38/1367257538.db2.gz PSRILOZKJUIJNR-OAHLLOKOSA-N 1 2 328.460 3.163 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)C[N@H+]([C@H](C)c2ccccc2F)CCO1 ZINC001108121893 1367293012 /nfs/dbraw/zinc/29/30/12/1367293012.db2.gz IKTUJIOTADLPOX-QRWLVFNGSA-N 1 2 348.462 3.306 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)C[N@@H+]([C@H](C)c2ccccc2F)CCO1 ZINC001108121893 1367293017 /nfs/dbraw/zinc/29/30/17/1367293017.db2.gz IKTUJIOTADLPOX-QRWLVFNGSA-N 1 2 348.462 3.306 20 30 EGEDLO C=CCCCC(=O)NC[C@]1(C)C[N@H+]([C@H](C)c2cccc(F)c2)CCO1 ZINC001108173385 1367323783 /nfs/dbraw/zinc/32/37/83/1367323783.db2.gz PMQQSAHMDXDKSO-OXQOHEQNSA-N 1 2 348.462 3.450 20 30 EGEDLO C=CCCCC(=O)NC[C@]1(C)C[N@@H+]([C@H](C)c2cccc(F)c2)CCO1 ZINC001108173385 1367323794 /nfs/dbraw/zinc/32/37/94/1367323794.db2.gz PMQQSAHMDXDKSO-OXQOHEQNSA-N 1 2 348.462 3.450 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H](C)c2ccc(CC)cc2)C1 ZINC001108210804 1367344266 /nfs/dbraw/zinc/34/42/66/1367344266.db2.gz GQORMXZMWFWPGT-UWJYYQICSA-N 1 2 344.499 3.136 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H](C)c2ccc(CC)cc2)C1 ZINC001108210804 1367344269 /nfs/dbraw/zinc/34/42/69/1367344269.db2.gz GQORMXZMWFWPGT-UWJYYQICSA-N 1 2 344.499 3.136 20 30 EGEDLO CC(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109895085 1367390596 /nfs/dbraw/zinc/39/05/96/1367390596.db2.gz ZPEAZMACTIKDHH-LDTOTXGLSA-N 1 2 339.483 3.462 20 30 EGEDLO CC(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109895085 1367390600 /nfs/dbraw/zinc/39/06/00/1367390600.db2.gz ZPEAZMACTIKDHH-LDTOTXGLSA-N 1 2 339.483 3.462 20 30 EGEDLO C=CC[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001108409280 1367437770 /nfs/dbraw/zinc/43/77/70/1367437770.db2.gz DGRYXVFQYNGRQW-MAUKXSAKSA-N 1 2 338.455 3.137 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCc2cc(C)ccc2C)C1 ZINC001108414320 1367442502 /nfs/dbraw/zinc/44/25/02/1367442502.db2.gz KNEWOYZYZSGEND-NRFANRHFSA-N 1 2 344.499 3.019 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCCc2cc(C)ccc2C)C1 ZINC001108414320 1367442503 /nfs/dbraw/zinc/44/25/03/1367442503.db2.gz KNEWOYZYZSGEND-NRFANRHFSA-N 1 2 344.499 3.019 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](OC)C1CCCCC1)C2 ZINC001110224338 1367575920 /nfs/dbraw/zinc/57/59/20/1367575920.db2.gz LXODZCBSKJIGOI-QZWWFDLISA-N 1 2 340.895 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](OC)C1CCCCC1)C2 ZINC001110224338 1367575923 /nfs/dbraw/zinc/57/59/23/1367575923.db2.gz LXODZCBSKJIGOI-QZWWFDLISA-N 1 2 340.895 3.056 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2csc(C3CC3)n2)C1 ZINC001191838728 1367608969 /nfs/dbraw/zinc/60/89/69/1367608969.db2.gz LTBUFSWOAKQGOH-KRWDZBQOSA-N 1 2 345.512 3.247 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2csc(C3CC3)n2)C1 ZINC001191838728 1367608972 /nfs/dbraw/zinc/60/89/72/1367608972.db2.gz LTBUFSWOAKQGOH-KRWDZBQOSA-N 1 2 345.512 3.247 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001191911724 1367635841 /nfs/dbraw/zinc/63/58/41/1367635841.db2.gz JJRULKYYQAKMQB-RHSMWYFYSA-N 1 2 331.460 3.187 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001191911724 1367635844 /nfs/dbraw/zinc/63/58/44/1367635844.db2.gz JJRULKYYQAKMQB-RHSMWYFYSA-N 1 2 331.460 3.187 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCC1(Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001110327151 1367643359 /nfs/dbraw/zinc/64/33/59/1367643359.db2.gz AJLPHOXBCVIVLP-GOSISDBHSA-N 1 2 328.460 3.325 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C3CCCC3)n2)C1 ZINC001192073211 1367680175 /nfs/dbraw/zinc/68/01/75/1367680175.db2.gz QURKIISDHZPYCT-LJQANCHMSA-N 1 2 344.503 3.387 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C3CCCC3)n2)C1 ZINC001192073211 1367680184 /nfs/dbraw/zinc/68/01/84/1367680184.db2.gz QURKIISDHZPYCT-LJQANCHMSA-N 1 2 344.503 3.387 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncoc1C(C)C ZINC001110459728 1367749181 /nfs/dbraw/zinc/74/91/81/1367749181.db2.gz YXLJGTMSSYLQPP-NUJGCVRESA-N 1 2 343.471 3.213 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncoc1C(C)C ZINC001110459728 1367749184 /nfs/dbraw/zinc/74/91/84/1367749184.db2.gz YXLJGTMSSYLQPP-NUJGCVRESA-N 1 2 343.471 3.213 20 30 EGEDLO C=CCCC(=O)N1CC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C[C@H]1C ZINC001110501715 1367790120 /nfs/dbraw/zinc/79/01/20/1367790120.db2.gz JNJNIGRFYYDRKV-ZBFHGGJFSA-N 1 2 342.487 3.421 20 30 EGEDLO Cc1cc(N[C@H]2CCN(C(=O)C#CC(C)C)[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC001110512456 1367794835 /nfs/dbraw/zinc/79/48/35/1367794835.db2.gz JLAVVMKDMBANTE-IRXDYDNUSA-N 1 2 342.487 3.359 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C[C@@H]1C ZINC001110525163 1367806063 /nfs/dbraw/zinc/80/60/63/1367806063.db2.gz JUEIWKCRRHMFLE-DOTOQJQBSA-N 1 2 328.460 3.160 20 30 EGEDLO C#CCCCC(=O)N1CCC[C@H]1CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001110544277 1367822342 /nfs/dbraw/zinc/82/23/42/1367822342.db2.gz GKJZRDHQZTYTPS-INIZCTEOSA-N 1 2 328.460 3.115 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncoc2C(C)C)C1 ZINC001192586571 1367826422 /nfs/dbraw/zinc/82/64/22/1367826422.db2.gz QEFFWBRJSGNXCW-OAHLLOKOSA-N 1 2 333.476 3.433 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncoc2C(C)C)C1 ZINC001192586571 1367826426 /nfs/dbraw/zinc/82/64/26/1367826426.db2.gz QEFFWBRJSGNXCW-OAHLLOKOSA-N 1 2 333.476 3.433 20 30 EGEDLO C#CCN(C(=O)[C@@H](C)CCCC)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110623383 1367873973 /nfs/dbraw/zinc/87/39/73/1367873973.db2.gz ODUONZFAQIRJMS-INIZCTEOSA-N 1 2 342.487 3.042 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@]1(C)CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001110808752 1368003904 /nfs/dbraw/zinc/00/39/04/1368003904.db2.gz CUMSULDYAUGXNM-ORAYPTAESA-N 1 2 330.476 3.089 20 30 EGEDLO CC1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)CC1 ZINC001110833398 1368015852 /nfs/dbraw/zinc/01/58/52/1368015852.db2.gz ZWNOYSDMZFJXIK-NXHRZFHOSA-N 1 2 341.430 3.109 20 30 EGEDLO CC1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)CC1 ZINC001110833398 1368015856 /nfs/dbraw/zinc/01/58/56/1368015856.db2.gz ZWNOYSDMZFJXIK-NXHRZFHOSA-N 1 2 341.430 3.109 20 30 EGEDLO C=CC1(CC(=O)N2CC[C@@H]([NH2+]Cc3ncc(CC)o3)C2)CCCCC1 ZINC001186295105 1387916653 /nfs/dbraw/zinc/91/66/53/1387916653.db2.gz AXRBEMLFCWNDRU-MRXNPFEDSA-N 1 2 345.487 3.454 20 30 EGEDLO CC[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001110903689 1368076950 /nfs/dbraw/zinc/07/69/50/1368076950.db2.gz RYVRVXMOZCRZOG-XDNAFOTISA-N 1 2 348.849 3.161 20 30 EGEDLO CC[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001110903689 1368076956 /nfs/dbraw/zinc/07/69/56/1368076956.db2.gz RYVRVXMOZCRZOG-XDNAFOTISA-N 1 2 348.849 3.161 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001110934134 1368103932 /nfs/dbraw/zinc/10/39/32/1368103932.db2.gz ZIPZNIXAWWIQIT-LIRZEXBASA-N 1 2 331.435 3.045 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001110934134 1368103935 /nfs/dbraw/zinc/10/39/35/1368103935.db2.gz ZIPZNIXAWWIQIT-LIRZEXBASA-N 1 2 331.435 3.045 20 30 EGEDLO CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001110968042 1368128837 /nfs/dbraw/zinc/12/88/37/1368128837.db2.gz RDEJKFXRJGYSAW-QRVBRYPASA-N 1 2 342.458 3.335 20 30 EGEDLO CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001110968042 1368128842 /nfs/dbraw/zinc/12/88/42/1368128842.db2.gz RDEJKFXRJGYSAW-QRVBRYPASA-N 1 2 342.458 3.335 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)cs1 ZINC001110988913 1368135620 /nfs/dbraw/zinc/13/56/20/1368135620.db2.gz AAMPZHWHZBUAEN-ZXFNITATSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001110988913 1368135623 /nfs/dbraw/zinc/13/56/23/1368135623.db2.gz AAMPZHWHZBUAEN-ZXFNITATSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)OC1CCCC1)C2 ZINC001111084136 1368155276 /nfs/dbraw/zinc/15/52/76/1368155276.db2.gz CCBVRKFQJLZHSY-MXASKKJJSA-N 1 2 340.895 3.198 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)OC1CCCC1)C2 ZINC001111084136 1368155280 /nfs/dbraw/zinc/15/52/80/1368155280.db2.gz CCBVRKFQJLZHSY-MXASKKJJSA-N 1 2 340.895 3.198 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)[C@@H](C)c3nc(C)no3)C2)CCCC1 ZINC001194567651 1368287590 /nfs/dbraw/zinc/28/75/90/1368287590.db2.gz MNQYPZLIEWCSTN-GOEBONIOSA-N 1 2 346.475 3.108 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)[C@@H](C)c3nc(C)no3)C2)CCCC1 ZINC001194567651 1368287593 /nfs/dbraw/zinc/28/75/93/1368287593.db2.gz MNQYPZLIEWCSTN-GOEBONIOSA-N 1 2 346.475 3.108 20 30 EGEDLO Cn1c[nH+]cc1-c1cccc(C(=O)Nc2c(C#N)ccc(F)c2F)c1 ZINC001194907768 1368345463 /nfs/dbraw/zinc/34/54/63/1368345463.db2.gz RDQKSPPLKVFDHU-UHFFFAOYSA-N 1 2 338.317 3.489 20 30 EGEDLO CC(C)[C@@H](C)CC(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001195201164 1368399804 /nfs/dbraw/zinc/39/98/04/1368399804.db2.gz SJRWWKDGLQPMCY-INIZCTEOSA-N 1 2 345.462 3.414 20 30 EGEDLO CC(C)[C@@H](C)CC(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001195201164 1368399806 /nfs/dbraw/zinc/39/98/06/1368399806.db2.gz SJRWWKDGLQPMCY-INIZCTEOSA-N 1 2 345.462 3.414 20 30 EGEDLO C=CC(C)(C)C(=O)NCC1(Nc2nc(C)[nH+]c3c2CCCC3)CCC1 ZINC001111883918 1368528063 /nfs/dbraw/zinc/52/80/63/1368528063.db2.gz GWEANIKGILDKCU-UHFFFAOYSA-N 1 2 342.487 3.327 20 30 EGEDLO Cc1cc(N2CCC[C@@H](NC(=O)C#CC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001111991258 1368594685 /nfs/dbraw/zinc/59/46/85/1368594685.db2.gz ZBBZFFFRIUOTLE-QGZVFWFLSA-N 1 2 342.487 3.043 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001112009305 1368613171 /nfs/dbraw/zinc/61/31/71/1368613171.db2.gz YITORNHEMYHXII-SFHVURJKSA-N 1 2 342.487 3.071 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2cc(F)ccc2OC)CC1 ZINC001196831958 1368693857 /nfs/dbraw/zinc/69/38/57/1368693857.db2.gz UXJZFZHJPBTSJV-HOTGVXAUSA-N 1 2 348.462 3.327 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2cc(F)ccc2OC)CC1 ZINC001196831958 1368693861 /nfs/dbraw/zinc/69/38/61/1368693861.db2.gz UXJZFZHJPBTSJV-HOTGVXAUSA-N 1 2 348.462 3.327 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2cc(C3CC3)no2)CC1 ZINC001196831941 1368693931 /nfs/dbraw/zinc/69/39/31/1368693931.db2.gz UUFWDAMIEWRSCY-HUUCEWRRSA-N 1 2 331.460 3.045 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2cc(C3CC3)no2)CC1 ZINC001196831941 1368693934 /nfs/dbraw/zinc/69/39/34/1368693934.db2.gz UUFWDAMIEWRSCY-HUUCEWRRSA-N 1 2 331.460 3.045 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)CCCC3CC3)CC2)ccc1F ZINC001196862794 1368703110 /nfs/dbraw/zinc/70/31/10/1368703110.db2.gz WFIKVWCUAZCLDD-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)CCCC3CC3)CC2)ccc1F ZINC001196862794 1368703115 /nfs/dbraw/zinc/70/31/15/1368703115.db2.gz WFIKVWCUAZCLDD-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO CCCCCCCC(=O)c1ccc(O)c(C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC001197365197 1368799561 /nfs/dbraw/zinc/79/95/61/1368799561.db2.gz IQJMBDCEUSYNDE-HNNXBMFYSA-N 1 2 332.444 3.027 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H](C)C1 ZINC001112499053 1368895957 /nfs/dbraw/zinc/89/59/57/1368895957.db2.gz FACJNTOWODNILE-LRDDRELGSA-N 1 2 330.476 3.088 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+]([C@H](CC)c2ccc(F)cc2)CC1 ZINC001112671896 1368975312 /nfs/dbraw/zinc/97/53/12/1368975312.db2.gz VKXXIROQZCLEPG-VQIMIIECSA-N 1 2 348.462 3.402 20 30 EGEDLO C#CCCCC(=O)N1CC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC001112809034 1369020799 /nfs/dbraw/zinc/02/07/99/1369020799.db2.gz XCQGMQISSJPCTR-SFHVURJKSA-N 1 2 330.859 3.275 20 30 EGEDLO C#CCCCC(=O)NC1CC(CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001112838039 1369037844 /nfs/dbraw/zinc/03/78/44/1369037844.db2.gz FTXQXZQTCBWQQC-UHFFFAOYSA-N 1 2 328.460 3.019 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[NH+](CCOc2ccccc2C)CC1 ZINC001112896211 1369077515 /nfs/dbraw/zinc/07/75/15/1369077515.db2.gz LUUSLSLCUWDLMX-UHFFFAOYSA-N 1 2 330.472 3.120 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001112898450 1369079158 /nfs/dbraw/zinc/07/91/58/1369079158.db2.gz RLLOXUVSMIAGEO-UHFFFAOYSA-N 1 2 330.472 3.250 20 30 EGEDLO C=C(C)CCC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001112904334 1369082489 /nfs/dbraw/zinc/08/24/89/1369082489.db2.gz PKUWFNVKROJZFD-UHFFFAOYSA-N 1 2 336.863 3.219 20 30 EGEDLO Cc1cc(N[C@H](C)[C@@H](C)NC(=O)C#CC(C)(C)C)nc(C2CC2)[nH+]1 ZINC001113003635 1369131177 /nfs/dbraw/zinc/13/11/77/1369131177.db2.gz DUQVXAPKBVUFKZ-ZIAGYGMSSA-N 1 2 328.460 3.017 20 30 EGEDLO C#CCC1(C(=O)N[C@@H](C)[C@@H](C)Nc2cc(C)[nH+]c(C(C)C)n2)CCC1 ZINC001113181138 1369249231 /nfs/dbraw/zinc/24/92/31/1369249231.db2.gz RUQLEEJKIYZHCK-CVEARBPZSA-N 1 2 342.487 3.407 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC[NH+](CCOc2cc(C)ccc2C)CC1 ZINC001113229287 1369277162 /nfs/dbraw/zinc/27/71/62/1369277162.db2.gz GSMIRJRNDYUIHA-PKOBYXMFSA-N 1 2 344.499 3.285 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C)c(OC)c2)CC1 ZINC001113229578 1369277432 /nfs/dbraw/zinc/27/74/32/1369277432.db2.gz MPCNJCGRKIATPB-WBVHZDCISA-N 1 2 330.472 3.106 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001113239563 1369285816 /nfs/dbraw/zinc/28/58/16/1369285816.db2.gz HWBYLJSYVVNOGI-QGZVFWFLSA-N 1 2 330.472 3.250 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC001113243286 1369288095 /nfs/dbraw/zinc/28/80/95/1369288095.db2.gz GQPFDFIDEFJNOI-UONOGXRCSA-N 1 2 333.303 3.317 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](CCOc2c(C)cccc2C)CC1 ZINC001113244262 1369288311 /nfs/dbraw/zinc/28/83/11/1369288311.db2.gz WQJHHECXUHDMKW-IBGZPJMESA-N 1 2 344.499 3.429 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC001113244364 1369288362 /nfs/dbraw/zinc/28/83/62/1369288362.db2.gz YNEVVXIORFDUQN-KRWDZBQOSA-N 1 2 330.472 3.250 20 30 EGEDLO C=C[C@H](CC(=O)N1CC[NH+](Cc2ncccc2C)CC1)c1ccccc1 ZINC001113666911 1369553996 /nfs/dbraw/zinc/55/39/96/1369553996.db2.gz HKQZQWGHXZNGKJ-LJQANCHMSA-N 1 2 349.478 3.394 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)N(C)c1nc(C)[nH+]c(C)c1C ZINC001113735934 1369595220 /nfs/dbraw/zinc/59/52/20/1369595220.db2.gz ZBXVWMFJNPPWRI-SNVBAGLBSA-N 1 2 338.883 3.121 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@H](C)N(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001113821267 1369622439 /nfs/dbraw/zinc/62/24/39/1369622439.db2.gz AOTLBQDXZDEPFP-HOCLYGCPSA-N 1 2 344.503 3.207 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CN(c2nc(C)[nH+]c(C)c2C)CC[C@H]1C ZINC001114039062 1369696905 /nfs/dbraw/zinc/69/69/05/1369696905.db2.gz BFWRRSSSQRVZFJ-DYVFJYSZSA-N 1 2 344.503 3.335 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NC1(CNc2cc[nH+]c(C)n2)CCCCC1 ZINC001114176394 1369776958 /nfs/dbraw/zinc/77/69/58/1369776958.db2.gz GNBFAHBKHBBUTR-LSDHHAIUSA-N 1 2 330.476 3.474 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001114485094 1369972209 /nfs/dbraw/zinc/97/22/09/1369972209.db2.gz SWSKORRHXMPNHJ-INIZCTEOSA-N 1 2 344.503 3.335 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC001114727884 1370050081 /nfs/dbraw/zinc/05/00/81/1370050081.db2.gz ZMMGSMLTYGKGTL-HWLIBYHHSA-N 1 2 347.528 3.244 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC001114727884 1370050084 /nfs/dbraw/zinc/05/00/84/1370050084.db2.gz ZMMGSMLTYGKGTL-HWLIBYHHSA-N 1 2 347.528 3.244 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]([NH2+]CC(F)(F)C(F)F)C12CCC2 ZINC001203280010 1370058664 /nfs/dbraw/zinc/05/86/64/1370058664.db2.gz CNDWOKOXJCYHOZ-WDEREUQCSA-N 1 2 336.373 3.116 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001114896904 1370135946 /nfs/dbraw/zinc/13/59/46/1370135946.db2.gz SGQPDLPZQQOYKK-HALDLXJZSA-N 1 2 345.487 3.121 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001114896904 1370135947 /nfs/dbraw/zinc/13/59/47/1370135947.db2.gz SGQPDLPZQQOYKK-HALDLXJZSA-N 1 2 345.487 3.121 20 30 EGEDLO Cc1cc(NCCC[C@@H](C)NC(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001114923889 1370153202 /nfs/dbraw/zinc/15/32/02/1370153202.db2.gz JWWJGJBCUVUBFQ-CQSZACIVSA-N 1 2 328.460 3.019 20 30 EGEDLO C=CC1(CC(=O)N[C@@H]2[C@H]3C[N@H+](Cc4nccs4)C[C@H]32)CCCCC1 ZINC001114965189 1370181350 /nfs/dbraw/zinc/18/13/50/1370181350.db2.gz GULNTFUMVWGZAA-HWWDLCQESA-N 1 2 345.512 3.216 20 30 EGEDLO C=CC1(CC(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4nccs4)C[C@H]32)CCCCC1 ZINC001114965189 1370181353 /nfs/dbraw/zinc/18/13/53/1370181353.db2.gz GULNTFUMVWGZAA-HWWDLCQESA-N 1 2 345.512 3.216 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3nnc(C)o3)C[C@H]21 ZINC001115165533 1370323278 /nfs/dbraw/zinc/32/32/78/1370323278.db2.gz JKRYILXICYQIDS-KMANFZQXSA-N 1 2 348.491 3.236 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3nnc(C)o3)C[C@H]21 ZINC001115165533 1370323281 /nfs/dbraw/zinc/32/32/81/1370323281.db2.gz JKRYILXICYQIDS-KMANFZQXSA-N 1 2 348.491 3.236 20 30 EGEDLO CCN(Cc1ccccc1C#N)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001204374694 1370458550 /nfs/dbraw/zinc/45/85/50/1370458550.db2.gz FIEFQTLCCQXDCU-JOCHJYFZSA-N 1 2 349.478 3.281 20 30 EGEDLO CCN(Cc1ccccc1C#N)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001204374694 1370458553 /nfs/dbraw/zinc/45/85/53/1370458553.db2.gz FIEFQTLCCQXDCU-JOCHJYFZSA-N 1 2 349.478 3.281 20 30 EGEDLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC001204462940 1370483154 /nfs/dbraw/zinc/48/31/54/1370483154.db2.gz BJDIOMAVBYJIHI-NSHDSACASA-N 1 2 331.231 3.344 20 30 EGEDLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC001204462940 1370483157 /nfs/dbraw/zinc/48/31/57/1370483157.db2.gz BJDIOMAVBYJIHI-NSHDSACASA-N 1 2 331.231 3.344 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N(C)C[C@@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001115642476 1370633633 /nfs/dbraw/zinc/63/36/33/1370633633.db2.gz HATISRXMOBGXPN-HZPDHXFCSA-N 1 2 348.491 3.148 20 30 EGEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1Cc1cccc(C)c1C ZINC001205073895 1370642998 /nfs/dbraw/zinc/64/29/98/1370642998.db2.gz CSEBAAAZCOSYQB-LJQANCHMSA-N 1 2 340.471 3.217 20 30 EGEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1Cc1cccc(C)c1C ZINC001205073895 1370643002 /nfs/dbraw/zinc/64/30/02/1370643002.db2.gz CSEBAAAZCOSYQB-LJQANCHMSA-N 1 2 340.471 3.217 20 30 EGEDLO CC(C)c1cc(N[C@H](C)CN(C)C(=O)[C@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001115660491 1370644893 /nfs/dbraw/zinc/64/48/93/1370644893.db2.gz OEEKRICLHNZOLC-ZIAGYGMSSA-N 1 2 331.464 3.142 20 30 EGEDLO N#Cc1cc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)ccc1F ZINC001116032395 1370823350 /nfs/dbraw/zinc/82/33/50/1370823350.db2.gz WDVOIHJHUQRXFE-SFHVURJKSA-N 1 2 338.386 3.086 20 30 EGEDLO N#Cc1cc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)ccc1F ZINC001116032395 1370823354 /nfs/dbraw/zinc/82/33/54/1370823354.db2.gz WDVOIHJHUQRXFE-SFHVURJKSA-N 1 2 338.386 3.086 20 30 EGEDLO C#CCOCC[N@@H+](C)[C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC001116396420 1370902898 /nfs/dbraw/zinc/90/28/98/1370902898.db2.gz DEUMDXKRMPXKRY-LJQANCHMSA-N 1 2 347.418 3.408 20 30 EGEDLO C#CCOCC[N@H+](C)[C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC001116396420 1370902900 /nfs/dbraw/zinc/90/29/00/1370902900.db2.gz DEUMDXKRMPXKRY-LJQANCHMSA-N 1 2 347.418 3.408 20 30 EGEDLO Cc1cc(N2CC[C@H](Oc3ccc(C#N)cn3)C2)[nH+]c2ccccc12 ZINC001326083792 1388111042 /nfs/dbraw/zinc/11/10/42/1388111042.db2.gz HROIVSMLJDSAFS-INIZCTEOSA-N 1 2 330.391 3.468 20 30 EGEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1nc(C)cc(C)c1C#N ZINC001206476093 1371066981 /nfs/dbraw/zinc/06/69/81/1371066981.db2.gz GHHMAISBLWKGEH-UHFFFAOYSA-N 1 2 337.423 3.078 20 30 EGEDLO Cc1csc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1C#N ZINC001118369535 1371167433 /nfs/dbraw/zinc/16/74/33/1371167433.db2.gz IGXKTODPMYHTRS-ZDUSSCGKSA-N 1 2 343.456 3.148 20 30 EGEDLO CCC[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CCN1C(=O)OC(C)(C)C ZINC001207110894 1371296911 /nfs/dbraw/zinc/29/69/11/1371296911.db2.gz WBQVKAVUEWAHPR-INIZCTEOSA-N 1 2 346.475 3.118 20 30 EGEDLO CCC[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CCN1C(=O)OC(C)(C)C ZINC001207110894 1371296914 /nfs/dbraw/zinc/29/69/14/1371296914.db2.gz WBQVKAVUEWAHPR-INIZCTEOSA-N 1 2 346.475 3.118 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC(C)(C)CC)C1 ZINC001207119810 1371298687 /nfs/dbraw/zinc/29/86/87/1371298687.db2.gz DQVVDXQSWQPFRE-DGCLKSJQSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(C)(C)CC)C1 ZINC001207119810 1371298691 /nfs/dbraw/zinc/29/86/91/1371298691.db2.gz DQVVDXQSWQPFRE-DGCLKSJQSA-N 1 2 331.298 3.158 20 30 EGEDLO C=CCN(CC[N@@H+]1Cc2cccc(OC)c2C1)C(=O)OC(C)(C)C ZINC001207203944 1371328981 /nfs/dbraw/zinc/32/89/81/1371328981.db2.gz VZYHXNPMJCBPDT-UHFFFAOYSA-N 1 2 332.444 3.434 20 30 EGEDLO C=CCN(CC[N@H+]1Cc2cccc(OC)c2C1)C(=O)OC(C)(C)C ZINC001207203944 1371328983 /nfs/dbraw/zinc/32/89/83/1371328983.db2.gz VZYHXNPMJCBPDT-UHFFFAOYSA-N 1 2 332.444 3.434 20 30 EGEDLO C#Cc1ccc(C(=O)N(C)C[C@@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC001120392167 1371559207 /nfs/dbraw/zinc/55/92/07/1371559207.db2.gz FOHVKPCVMXMCMS-OAHLLOKOSA-N 1 2 348.450 3.216 20 30 EGEDLO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+](CCC#N)Cc1cccnc1 ZINC001208209793 1371650579 /nfs/dbraw/zinc/65/05/79/1371650579.db2.gz RWWRPTSMZJEJJU-INIZCTEOSA-N 1 2 337.423 3.405 20 30 EGEDLO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+](CCC#N)Cc1cccnc1 ZINC001208209793 1371650581 /nfs/dbraw/zinc/65/05/81/1371650581.db2.gz RWWRPTSMZJEJJU-INIZCTEOSA-N 1 2 337.423 3.405 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@H]([NH2+]Cc2nc(C3CCCC3)no2)C1 ZINC001208255366 1371685240 /nfs/dbraw/zinc/68/52/40/1371685240.db2.gz HEHAHSGKGZNKPV-INIZCTEOSA-N 1 2 346.475 3.164 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ncoc2C(C)C)C[C@H]1C ZINC001208315381 1371713494 /nfs/dbraw/zinc/71/34/94/1371713494.db2.gz XEYOFBMKPVSVSF-IAGOWNOFSA-N 1 2 345.487 3.318 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ncoc2C(C)C)C[C@H]1C ZINC001208315381 1371713496 /nfs/dbraw/zinc/71/34/96/1371713496.db2.gz XEYOFBMKPVSVSF-IAGOWNOFSA-N 1 2 345.487 3.318 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001208391449 1371750895 /nfs/dbraw/zinc/75/08/95/1371750895.db2.gz NVPQVAFGFYPWFG-SQWLQELKSA-N 1 2 335.517 3.244 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001208391449 1371750897 /nfs/dbraw/zinc/75/08/97/1371750897.db2.gz NVPQVAFGFYPWFG-SQWLQELKSA-N 1 2 335.517 3.244 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001120768437 1371751915 /nfs/dbraw/zinc/75/19/15/1371751915.db2.gz XFWGUAXWUYGTHH-WMZOPIPTSA-N 1 2 336.863 3.042 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[C@H]([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC001209194285 1372033916 /nfs/dbraw/zinc/03/39/16/1372033916.db2.gz MYRULUYKFOKNQA-CABCVRRESA-N 1 2 348.491 3.050 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2cccnc2)C(C)C)C1 ZINC001209769104 1372190815 /nfs/dbraw/zinc/19/08/15/1372190815.db2.gz INNCRGALKJKFNV-XYPHTWIQSA-N 1 2 335.879 3.010 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2cccnc2)C(C)C)C1 ZINC001209769104 1372190816 /nfs/dbraw/zinc/19/08/16/1372190816.db2.gz INNCRGALKJKFNV-XYPHTWIQSA-N 1 2 335.879 3.010 20 30 EGEDLO CC(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001209807208 1372203734 /nfs/dbraw/zinc/20/37/34/1372203734.db2.gz CZRKUHHHFSPIIA-SPYBWZPUSA-N 1 2 345.462 3.316 20 30 EGEDLO CC(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001209807208 1372203739 /nfs/dbraw/zinc/20/37/39/1372203739.db2.gz CZRKUHHHFSPIIA-SPYBWZPUSA-N 1 2 345.462 3.316 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H]([NH2+][C@H](C)c2nc(C3CC3)no2)C1 ZINC001209876144 1372221054 /nfs/dbraw/zinc/22/10/54/1372221054.db2.gz XAWQQBZBFRTGIL-UKRRQHHQSA-N 1 2 346.475 3.191 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001122529330 1372267755 /nfs/dbraw/zinc/26/77/55/1372267755.db2.gz ACIAZBOEVOSUHT-JKSUJKDBSA-N 1 2 331.508 3.493 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001122529330 1372267758 /nfs/dbraw/zinc/26/77/58/1372267758.db2.gz ACIAZBOEVOSUHT-JKSUJKDBSA-N 1 2 331.508 3.493 20 30 EGEDLO Cc1cc(C#N)ccc1Nc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001210375860 1372336322 /nfs/dbraw/zinc/33/63/22/1372336322.db2.gz DCBKXDFQUYKBCP-UHFFFAOYSA-N 1 2 337.423 3.321 20 30 EGEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001210560812 1372379290 /nfs/dbraw/zinc/37/92/90/1372379290.db2.gz VDLZHXIXSXICBU-IEBWSBKVSA-N 1 2 348.535 3.497 20 30 EGEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001210560812 1372379292 /nfs/dbraw/zinc/37/92/92/1372379292.db2.gz VDLZHXIXSXICBU-IEBWSBKVSA-N 1 2 348.535 3.497 20 30 EGEDLO C=CCCC(=O)N[C@@]12CCC[C@H]1N(c1cc(C)[nH+]c(C(C)C)n1)CC2 ZINC001123386385 1372450784 /nfs/dbraw/zinc/45/07/84/1372450784.db2.gz QRRZCNOPBQRCQL-OXQOHEQNSA-N 1 2 342.487 3.492 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)[C@@H]1C ZINC001123578214 1372514016 /nfs/dbraw/zinc/51/40/16/1372514016.db2.gz VKEWFWYDRXVRRN-CVEARBPZSA-N 1 2 330.476 3.348 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)s2)C[C@H]1OC ZINC001212344734 1372691210 /nfs/dbraw/zinc/69/12/10/1372691210.db2.gz KLTFQKBXKPRLQT-ZIAGYGMSSA-N 1 2 342.892 3.073 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)s2)C[C@H]1OC ZINC001212344734 1372691217 /nfs/dbraw/zinc/69/12/17/1372691217.db2.gz KLTFQKBXKPRLQT-ZIAGYGMSSA-N 1 2 342.892 3.073 20 30 EGEDLO COC(=O)c1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)ccc1C#N ZINC001212698875 1372756363 /nfs/dbraw/zinc/75/63/63/1372756363.db2.gz BQASAMPNPQBGDR-UHFFFAOYSA-N 1 2 332.363 3.333 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)CC(C)(C)CC)[C@@H]2C1 ZINC001188026403 1388220297 /nfs/dbraw/zinc/22/02/97/1388220297.db2.gz PPIHGHDIWBYORU-UONOGXRCSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)CC(C)(C)CC)[C@@H]2C1 ZINC001188026403 1388220300 /nfs/dbraw/zinc/22/03/00/1388220300.db2.gz PPIHGHDIWBYORU-UONOGXRCSA-N 1 2 343.309 3.254 20 30 EGEDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC001213391848 1372899817 /nfs/dbraw/zinc/89/98/17/1372899817.db2.gz YKRITXOTDQYRPE-UHFFFAOYSA-N 1 2 329.425 3.257 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H](C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001126684108 1372998230 /nfs/dbraw/zinc/99/82/30/1372998230.db2.gz DZPCARIXVKMRNX-AUUYWEPGSA-N 1 2 330.476 3.108 20 30 EGEDLO C=C[C@H](C(=O)N(C)C1CC(Nc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001126963460 1373058983 /nfs/dbraw/zinc/05/89/83/1373058983.db2.gz PBZYBHFFVHNEBJ-ABHNRTSZSA-N 1 2 336.439 3.156 20 30 EGEDLO C=CC(C)(C)C(=O)N(C)C1CC(Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001127041410 1373074952 /nfs/dbraw/zinc/07/49/52/1373074952.db2.gz MKOUSWFPUMHFTB-UHFFFAOYSA-N 1 2 342.487 3.277 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)CCCC)c2C1 ZINC001128196630 1373233418 /nfs/dbraw/zinc/23/34/18/1373233418.db2.gz KVBIMSYLANMXLA-UHFFFAOYSA-N 1 2 334.508 3.476 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)CCCC)c2C1 ZINC001128196630 1373233423 /nfs/dbraw/zinc/23/34/23/1373233423.db2.gz KVBIMSYLANMXLA-UHFFFAOYSA-N 1 2 334.508 3.476 20 30 EGEDLO Cc1ccc(Nc2cccc(OCC[NH+]3CCOCC3)c2)cc1C#N ZINC001216075944 1373258791 /nfs/dbraw/zinc/25/87/91/1373258791.db2.gz JTVBMYRNGJNPAA-UHFFFAOYSA-N 1 2 337.423 3.321 20 30 EGEDLO N#Cc1c(Cl)cccc1Nc1ccc(N2CCC(O)CC2)[nH+]c1 ZINC001216124972 1373268205 /nfs/dbraw/zinc/26/82/05/1373268205.db2.gz JENNUSPXNGOJET-UHFFFAOYSA-N 1 2 328.803 3.311 20 30 EGEDLO C=CCCCC(=O)NCc1cnn2c1C[N@H+](CCCC1CCC1)CC2 ZINC001128463345 1373271267 /nfs/dbraw/zinc/27/12/67/1373271267.db2.gz HMVHTECMJHMZAP-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO C=CCCCC(=O)NCc1cnn2c1C[N@@H+](CCCC1CCC1)CC2 ZINC001128463345 1373271271 /nfs/dbraw/zinc/27/12/71/1373271271.db2.gz HMVHTECMJHMZAP-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO C=CCCCC(=O)NCc1cnn2c1C[N@H+](CC/C=C\CCC)CC2 ZINC001128463624 1373272439 /nfs/dbraw/zinc/27/24/39/1373272439.db2.gz NOXCAVWDPKJLGJ-FPLPWBNLSA-N 1 2 344.503 3.418 20 30 EGEDLO C=CCCCC(=O)NCc1cnn2c1C[N@@H+](CC/C=C\CCC)CC2 ZINC001128463624 1373272442 /nfs/dbraw/zinc/27/24/42/1373272442.db2.gz NOXCAVWDPKJLGJ-FPLPWBNLSA-N 1 2 344.503 3.418 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCc1cnn2c1C[N@H+](CC/C=C/CC)CC2 ZINC001128463632 1373272803 /nfs/dbraw/zinc/27/28/03/1373272803.db2.gz OKUFHOFTVWDUER-IWAYRVGRSA-N 1 2 344.503 3.274 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCc1cnn2c1C[N@@H+](CC/C=C/CC)CC2 ZINC001128463632 1373272808 /nfs/dbraw/zinc/27/28/08/1373272808.db2.gz OKUFHOFTVWDUER-IWAYRVGRSA-N 1 2 344.503 3.274 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C3(CC)CCCCC3)c2C1 ZINC001128587288 1373294841 /nfs/dbraw/zinc/29/48/41/1373294841.db2.gz VSPLOOXAVNAPSH-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C3(CC)CCCCC3)c2C1 ZINC001128587288 1373294844 /nfs/dbraw/zinc/29/48/44/1373294844.db2.gz VSPLOOXAVNAPSH-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO C[C@@H](CC(=O)Nc1cccc(C#N)c1Br)n1cc[nH+]c1 ZINC001130067948 1373452198 /nfs/dbraw/zinc/45/21/98/1373452198.db2.gz BXKKYJWKEQRDDQ-JTQLQIEISA-N 1 2 333.189 3.107 20 30 EGEDLO CCCCCCCOc1ccc(O[C@@H]2C[NH2+][C@H](C(=O)OC)C2)cc1 ZINC001218176097 1373573565 /nfs/dbraw/zinc/57/35/65/1373573565.db2.gz DSMQKKMOBCJPEC-ROUUACIJSA-N 1 2 335.444 3.318 20 30 EGEDLO CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001221562264 1373781859 /nfs/dbraw/zinc/78/18/59/1373781859.db2.gz UITHKZMHEGDSNJ-MCIONIFRSA-N 1 2 338.389 3.390 20 30 EGEDLO CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001221562264 1373781857 /nfs/dbraw/zinc/78/18/57/1373781857.db2.gz UITHKZMHEGDSNJ-MCIONIFRSA-N 1 2 338.389 3.390 20 30 EGEDLO CCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001131746282 1373783079 /nfs/dbraw/zinc/78/30/79/1373783079.db2.gz BMEMQEYROFBMLV-NVXWUHKLSA-N 1 2 332.875 3.461 20 30 EGEDLO CCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001131746282 1373783084 /nfs/dbraw/zinc/78/30/84/1373783084.db2.gz BMEMQEYROFBMLV-NVXWUHKLSA-N 1 2 332.875 3.461 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(F)cc2F)C1 ZINC001132003905 1375095426 /nfs/dbraw/zinc/09/54/26/1375095426.db2.gz ZZDBNQVVPVIMRS-WMLDXEAASA-N 1 2 334.410 3.237 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(F)cc2F)C1 ZINC001132003905 1375095430 /nfs/dbraw/zinc/09/54/30/1375095430.db2.gz ZZDBNQVVPVIMRS-WMLDXEAASA-N 1 2 334.410 3.237 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(F)c2F)C1 ZINC001132018487 1375101653 /nfs/dbraw/zinc/10/16/53/1375101653.db2.gz XPTNWYDGFAQBHG-GDBMZVCRSA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc(F)c2F)C1 ZINC001132018487 1375101655 /nfs/dbraw/zinc/10/16/55/1375101655.db2.gz XPTNWYDGFAQBHG-GDBMZVCRSA-N 1 2 334.410 3.093 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1ccc(Cl)nc1 ZINC001132033162 1375107562 /nfs/dbraw/zinc/10/75/62/1375107562.db2.gz BIJWKJHPQFDRRH-GDBMZVCRSA-N 1 2 347.890 3.254 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1ccc(Cl)nc1 ZINC001132033162 1375107565 /nfs/dbraw/zinc/10/75/65/1375107565.db2.gz BIJWKJHPQFDRRH-GDBMZVCRSA-N 1 2 347.890 3.254 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1cccc(Cl)n1 ZINC001132034487 1375109708 /nfs/dbraw/zinc/10/97/08/1375109708.db2.gz RWVQDYWABUTCRX-GOEBONIOSA-N 1 2 347.890 3.254 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1cccc(Cl)n1 ZINC001132034487 1375109710 /nfs/dbraw/zinc/10/97/10/1375109710.db2.gz RWVQDYWABUTCRX-GOEBONIOSA-N 1 2 347.890 3.254 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2snnc2C)C1 ZINC001132057251 1375123273 /nfs/dbraw/zinc/12/32/73/1375123273.db2.gz LZPOGKCQCHBPKW-CZUORRHYSA-N 1 2 348.516 3.084 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2snnc2C)C1 ZINC001132057251 1375123276 /nfs/dbraw/zinc/12/32/76/1375123276.db2.gz LZPOGKCQCHBPKW-CZUORRHYSA-N 1 2 348.516 3.084 20 30 EGEDLO C#CCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3ncc(C)s3)C2)CCC1 ZINC001132101529 1375148350 /nfs/dbraw/zinc/14/83/50/1375148350.db2.gz LIKKDNBPGIRRKJ-HOCLYGCPSA-N 1 2 345.512 3.114 20 30 EGEDLO C#CCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3ncc(C)s3)C2)CCC1 ZINC001132101529 1375148353 /nfs/dbraw/zinc/14/83/53/1375148353.db2.gz LIKKDNBPGIRRKJ-HOCLYGCPSA-N 1 2 345.512 3.114 20 30 EGEDLO C#CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3nc(C)cs3)C2)CCC1 ZINC001132101114 1375148392 /nfs/dbraw/zinc/14/83/92/1375148392.db2.gz HPKRKABZEOBETD-JKSUJKDBSA-N 1 2 345.512 3.114 20 30 EGEDLO C#CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3nc(C)cs3)C2)CCC1 ZINC001132101114 1375148393 /nfs/dbraw/zinc/14/83/93/1375148393.db2.gz HPKRKABZEOBETD-JKSUJKDBSA-N 1 2 345.512 3.114 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001132223475 1375221086 /nfs/dbraw/zinc/22/10/86/1375221086.db2.gz DUUAONIQLPXREC-MSOLQXFVSA-N 1 2 344.503 3.127 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001132223475 1375221090 /nfs/dbraw/zinc/22/10/90/1375221090.db2.gz DUUAONIQLPXREC-MSOLQXFVSA-N 1 2 344.503 3.127 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)CCCC#CC)CC[C@@H]1C ZINC001132235501 1375230631 /nfs/dbraw/zinc/23/06/31/1375230631.db2.gz ONGNAAURYZYNKT-GJZGRUSLSA-N 1 2 341.293 3.058 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)CCCC#CC)CC[C@@H]1C ZINC001132235501 1375230637 /nfs/dbraw/zinc/23/06/37/1375230637.db2.gz ONGNAAURYZYNKT-GJZGRUSLSA-N 1 2 341.293 3.058 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)CCCC2CC2)CC[C@@H]1C ZINC001132245678 1375240560 /nfs/dbraw/zinc/24/05/60/1375240560.db2.gz NZUVXXKODXNIFS-DZGCQCFKSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)CCCC2CC2)CC[C@@H]1C ZINC001132245678 1375240568 /nfs/dbraw/zinc/24/05/68/1375240568.db2.gz NZUVXXKODXNIFS-DZGCQCFKSA-N 1 2 343.309 3.444 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3snnc3C)C2)CC1 ZINC001132278736 1375262433 /nfs/dbraw/zinc/26/24/33/1375262433.db2.gz PYHBANQGXNQSDI-HIFRSBDPSA-N 1 2 348.516 3.062 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3snnc3C)C2)CC1 ZINC001132278736 1375262437 /nfs/dbraw/zinc/26/24/37/1375262437.db2.gz PYHBANQGXNQSDI-HIFRSBDPSA-N 1 2 348.516 3.062 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3cncc(F)c3)C2)CC1 ZINC001132291567 1375272398 /nfs/dbraw/zinc/27/23/98/1375272398.db2.gz KXVHJOQOACPXPS-YJBOKZPZSA-N 1 2 345.462 3.436 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3cncc(F)c3)C2)CC1 ZINC001132291567 1375272404 /nfs/dbraw/zinc/27/24/04/1375272404.db2.gz KXVHJOQOACPXPS-YJBOKZPZSA-N 1 2 345.462 3.436 20 30 EGEDLO CC(=O)c1cc(O)ccc1O[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001226854063 1375347611 /nfs/dbraw/zinc/34/76/11/1375347611.db2.gz YGCVYAKANWSTPK-SFHVURJKSA-N 1 2 336.391 3.120 20 30 EGEDLO CC(=O)c1cc(O)ccc1O[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001226854063 1375347614 /nfs/dbraw/zinc/34/76/14/1375347614.db2.gz YGCVYAKANWSTPK-SFHVURJKSA-N 1 2 336.391 3.120 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC001228748897 1375661473 /nfs/dbraw/zinc/66/14/73/1375661473.db2.gz OFXLFJDQOZRBAC-ZIAGYGMSSA-N 1 2 335.517 3.244 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC001228749292 1375662212 /nfs/dbraw/zinc/66/22/12/1375662212.db2.gz RKMZJFBWKIZGHS-NWDGAFQWSA-N 1 2 341.908 3.335 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC1CC[NH+]([C@H](C)c2nnc(C)s2)CC1 ZINC001228801328 1375682043 /nfs/dbraw/zinc/68/20/43/1375682043.db2.gz MQRYDHAELIGQRF-CHWSQXEVSA-N 1 2 336.505 3.090 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC1CC[NH+](CC(=C)Br)CC1 ZINC001228808993 1375683070 /nfs/dbraw/zinc/68/30/70/1375683070.db2.gz CKTFGLACUDZVPN-CYBMUJFWSA-N 1 2 329.282 3.078 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC1CC[NH+](Cc2ncc(C(C)C)o2)CC1 ZINC001229017812 1375740408 /nfs/dbraw/zinc/74/04/08/1375740408.db2.gz YQIYELWLSWWQMU-LJQANCHMSA-N 1 2 333.476 3.481 20 30 EGEDLO C=CCCC1(C(=O)NC2CC[NH+](Cc3coc(C4CC4)n3)CC2)CC1 ZINC001229036833 1375748328 /nfs/dbraw/zinc/74/83/28/1375748328.db2.gz ACEJARNORWIWTC-UHFFFAOYSA-N 1 2 343.471 3.379 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3coc(C4CC4)n3)C[C@H]21 ZINC001188885004 1388399634 /nfs/dbraw/zinc/39/96/34/1388399634.db2.gz MTIGJUPZHBJOQN-UWWQBHOKSA-N 1 2 343.471 3.187 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3coc(C4CC4)n3)C[C@H]21 ZINC001188885004 1388399641 /nfs/dbraw/zinc/39/96/41/1388399641.db2.gz MTIGJUPZHBJOQN-UWWQBHOKSA-N 1 2 343.471 3.187 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C(C)C)o3)C[C@H]21 ZINC001188894517 1388402917 /nfs/dbraw/zinc/40/29/17/1388402917.db2.gz ANLKHTIQZXVYIN-IXDOHACOSA-N 1 2 345.487 3.433 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C(C)C)o3)C[C@H]21 ZINC001188894517 1388402918 /nfs/dbraw/zinc/40/29/18/1388402918.db2.gz ANLKHTIQZXVYIN-IXDOHACOSA-N 1 2 345.487 3.433 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001188909117 1388407210 /nfs/dbraw/zinc/40/72/10/1388407210.db2.gz NLEXHGAKTRQRKJ-ZWXDFQSWSA-N 1 2 331.287 3.440 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001188909117 1388407214 /nfs/dbraw/zinc/40/72/14/1388407214.db2.gz NLEXHGAKTRQRKJ-ZWXDFQSWSA-N 1 2 331.287 3.440 20 30 EGEDLO C=C[C@H](C(=O)NC1CC[NH+](Cc2cc(C)on2)CC1)c1ccccc1 ZINC001230332208 1375998703 /nfs/dbraw/zinc/99/87/03/1375998703.db2.gz YITPRNMGUHGCPL-IBGZPJMESA-N 1 2 339.439 3.033 20 30 EGEDLO C=CCC1(C(=O)NC2CC[NH+](Cc3ncc(C)cn3)CC2)CCCC1 ZINC001230475926 1376035046 /nfs/dbraw/zinc/03/50/46/1376035046.db2.gz WIOMERBBDWVFAQ-UHFFFAOYSA-N 1 2 342.487 3.002 20 30 EGEDLO C=CCC1(C(=O)NC2CC[NH+](Cc3cscn3)CC2)CCCC1 ZINC001230475552 1376035204 /nfs/dbraw/zinc/03/52/04/1376035204.db2.gz NKWVUWHSSYQKHV-UHFFFAOYSA-N 1 2 333.501 3.360 20 30 EGEDLO C=C(Cl)C[N@H+](CCCNC(=O)C1CCCC1)Cc1cccnc1 ZINC001230647143 1376114380 /nfs/dbraw/zinc/11/43/80/1376114380.db2.gz IRQHXAAJSYCCSK-UHFFFAOYSA-N 1 2 335.879 3.333 20 30 EGEDLO C=C(Cl)C[N@@H+](CCCNC(=O)C1CCCC1)Cc1cccnc1 ZINC001230647143 1376114416 /nfs/dbraw/zinc/11/44/16/1376114416.db2.gz IRQHXAAJSYCCSK-UHFFFAOYSA-N 1 2 335.879 3.333 20 30 EGEDLO C/C(=C/C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F)C1CC1 ZINC001230948191 1376185743 /nfs/dbraw/zinc/18/57/43/1376185743.db2.gz LQQNJJRJAPYHJZ-GIIHOQTISA-N 1 2 341.430 3.086 20 30 EGEDLO C/C(=C/C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(C#N)ccc1F)C1CC1 ZINC001230948191 1376185745 /nfs/dbraw/zinc/18/57/45/1376185745.db2.gz LQQNJJRJAPYHJZ-GIIHOQTISA-N 1 2 341.430 3.086 20 30 EGEDLO C/C(=C\C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F)C1CC1 ZINC001230947911 1376186454 /nfs/dbraw/zinc/18/64/54/1376186454.db2.gz ILRDBVWKYWWKMP-MOVXZBDNSA-N 1 2 341.430 3.086 20 30 EGEDLO C/C(=C\C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1F)C1CC1 ZINC001230947911 1376186457 /nfs/dbraw/zinc/18/64/57/1376186457.db2.gz ILRDBVWKYWWKMP-MOVXZBDNSA-N 1 2 341.430 3.086 20 30 EGEDLO CCC[C@@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001231311292 1376226560 /nfs/dbraw/zinc/22/65/60/1376226560.db2.gz IBNOBASQQKXECJ-RHSMWYFYSA-N 1 2 331.435 3.166 20 30 EGEDLO CCC[C@@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001231311292 1376226567 /nfs/dbraw/zinc/22/65/67/1376226567.db2.gz IBNOBASQQKXECJ-RHSMWYFYSA-N 1 2 331.435 3.166 20 30 EGEDLO C=CCOc1cccc(C[NH+]2CCN(c3nccnc3Cl)CC2)c1 ZINC001231620749 1376281992 /nfs/dbraw/zinc/28/19/92/1376281992.db2.gz ALRQNQIIHGFYFV-UHFFFAOYSA-N 1 2 344.846 3.017 20 30 EGEDLO N#Cc1ccc(O)c(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)c1 ZINC001232678589 1376499947 /nfs/dbraw/zinc/49/99/47/1376499947.db2.gz JACSLCNTPUWDOI-UHFFFAOYSA-N 1 2 339.414 3.111 20 30 EGEDLO N#Cc1ccc(O)c(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)c1 ZINC001232678589 1376499948 /nfs/dbraw/zinc/49/99/48/1376499948.db2.gz JACSLCNTPUWDOI-UHFFFAOYSA-N 1 2 339.414 3.111 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+](Cc1cccnc1)C1CCOCC1 ZINC001232891998 1376533939 /nfs/dbraw/zinc/53/39/39/1376533939.db2.gz WJRSHVLZRIRWMB-UHFFFAOYSA-N 1 2 325.387 3.274 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+](Cc1cccnc1)C1CCOCC1 ZINC001232891998 1376533943 /nfs/dbraw/zinc/53/39/43/1376533943.db2.gz WJRSHVLZRIRWMB-UHFFFAOYSA-N 1 2 325.387 3.274 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001232890734 1376534281 /nfs/dbraw/zinc/53/42/81/1376534281.db2.gz MKSGXAZHGDTXSD-OALUTQOASA-N 1 2 330.403 3.023 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001232890734 1376534285 /nfs/dbraw/zinc/53/42/85/1376534285.db2.gz MKSGXAZHGDTXSD-OALUTQOASA-N 1 2 330.403 3.023 20 30 EGEDLO N#Cc1cccc(C[NH+]2CCN(c3ccccc3C(F)(F)F)CC2)n1 ZINC001232927270 1376539526 /nfs/dbraw/zinc/53/95/26/1376539526.db2.gz WOKXAKOCMNQMKT-UHFFFAOYSA-N 1 2 346.356 3.294 20 30 EGEDLO COC(=O)/C=C/c1ccc(C[NH+]2CC(Oc3ccccc3C#N)C2)cc1 ZINC001233300614 1376607339 /nfs/dbraw/zinc/60/73/39/1376607339.db2.gz WPSAKVSBBVJBKN-ZHACJKMWSA-N 1 2 348.402 3.008 20 30 EGEDLO CCN(Cc1ccc(C#N)cc1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001233386616 1376634731 /nfs/dbraw/zinc/63/47/31/1376634731.db2.gz AWJFHNROTQXVIL-FQEVSTJZSA-N 1 2 335.451 3.360 20 30 EGEDLO CCN(Cc1ccc(C#N)cc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001233386616 1376634736 /nfs/dbraw/zinc/63/47/36/1376634736.db2.gz AWJFHNROTQXVIL-FQEVSTJZSA-N 1 2 335.451 3.360 20 30 EGEDLO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C1CCC1 ZINC001235743249 1376888368 /nfs/dbraw/zinc/88/83/68/1376888368.db2.gz PGMWHOSGTIUSBB-KDOFPFPSSA-N 1 2 343.446 3.166 20 30 EGEDLO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C1CCC1 ZINC001235743249 1376888378 /nfs/dbraw/zinc/88/83/78/1376888378.db2.gz PGMWHOSGTIUSBB-KDOFPFPSSA-N 1 2 343.446 3.166 20 30 EGEDLO CCc1cc(C[NH+]2CCN(C(=O)Nc3ccccc3)CC2)ccc1C#N ZINC001238778634 1377000978 /nfs/dbraw/zinc/00/09/78/1377000978.db2.gz PWFORTREPKXVNV-UHFFFAOYSA-N 1 2 348.450 3.470 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1csc(C(C)C)n1)C1CC1 ZINC001266615605 1377345424 /nfs/dbraw/zinc/34/54/24/1377345424.db2.gz NMMZDPWMLNKBOP-UHFFFAOYSA-N 1 2 327.881 3.213 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1csc(C(C)C)n1)C1CC1 ZINC001266615605 1377345428 /nfs/dbraw/zinc/34/54/28/1377345428.db2.gz NMMZDPWMLNKBOP-UHFFFAOYSA-N 1 2 327.881 3.213 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cc1c[nH]c2c1cccc2C ZINC001267251025 1377432499 /nfs/dbraw/zinc/43/24/99/1377432499.db2.gz RWUJCWCOMRYQGH-UHFFFAOYSA-N 1 2 333.863 3.209 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cc1c[nH]c2c1cccc2C ZINC001267251025 1377432503 /nfs/dbraw/zinc/43/25/03/1377432503.db2.gz RWUJCWCOMRYQGH-UHFFFAOYSA-N 1 2 333.863 3.209 20 30 EGEDLO Cc1csc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1Cl ZINC001137291365 1377511447 /nfs/dbraw/zinc/51/14/47/1377511447.db2.gz PTNQKUPGXGSGIX-UHFFFAOYSA-N 1 2 332.860 3.299 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCCc2cc(C)sc2C)C1 ZINC001268916985 1377531928 /nfs/dbraw/zinc/53/19/28/1377531928.db2.gz JJNGKOVHPRBIIS-UHFFFAOYSA-N 1 2 340.920 3.488 20 30 EGEDLO COc1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)c(C#N)c1 ZINC001137706955 1377600757 /nfs/dbraw/zinc/60/07/57/1377600757.db2.gz YDZUIZBGYVQPKF-GOSISDBHSA-N 1 2 349.425 3.262 20 30 EGEDLO CC(C)(C)C(=O)Nc1cnccc1C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001138453242 1377726533 /nfs/dbraw/zinc/72/65/33/1377726533.db2.gz XKIWEFQEFCURLB-UHFFFAOYSA-N 1 2 348.450 3.496 20 30 EGEDLO CC(C)(C)C(=O)Nc1cnccc1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001138453242 1377726536 /nfs/dbraw/zinc/72/65/36/1377726536.db2.gz XKIWEFQEFCURLB-UHFFFAOYSA-N 1 2 348.450 3.496 20 30 EGEDLO CCCC[N@H+](CCC#N)Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC001139382267 1377876447 /nfs/dbraw/zinc/87/64/47/1377876447.db2.gz ZZABPIQRGLUGPQ-IRXDYDNUSA-N 1 2 330.476 3.211 20 30 EGEDLO CCCC[N@@H+](CCC#N)Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC001139382267 1377876466 /nfs/dbraw/zinc/87/64/66/1377876466.db2.gz ZZABPIQRGLUGPQ-IRXDYDNUSA-N 1 2 330.476 3.211 20 30 EGEDLO Cc1cc(O[C@H]2CCC[N@H+](Cc3cccc(Cl)c3C#N)C2)ncn1 ZINC001139693261 1377936446 /nfs/dbraw/zinc/93/64/46/1377936446.db2.gz WWKBDWXHTAINDV-HNNXBMFYSA-N 1 2 342.830 3.354 20 30 EGEDLO Cc1cc(O[C@H]2CCC[N@@H+](Cc3cccc(Cl)c3C#N)C2)ncn1 ZINC001139693261 1377936447 /nfs/dbraw/zinc/93/64/47/1377936447.db2.gz WWKBDWXHTAINDV-HNNXBMFYSA-N 1 2 342.830 3.354 20 30 EGEDLO C=CCn1cc(C[N@H+]2CCSC[C@H]2c2ccc(OC)cc2)cn1 ZINC001139770546 1377949220 /nfs/dbraw/zinc/94/92/20/1377949220.db2.gz RGYUJDFSYWTIFV-SFHVURJKSA-N 1 2 329.469 3.368 20 30 EGEDLO C=CCn1cc(C[N@@H+]2CCSC[C@H]2c2ccc(OC)cc2)cn1 ZINC001139770546 1377949224 /nfs/dbraw/zinc/94/92/24/1377949224.db2.gz RGYUJDFSYWTIFV-SFHVURJKSA-N 1 2 329.469 3.368 20 30 EGEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccc(O)cc2Cl)CC1 ZINC001140081159 1378003208 /nfs/dbraw/zinc/00/32/08/1378003208.db2.gz GJHAABWTEFXYRW-UHFFFAOYSA-N 1 2 327.815 3.239 20 30 EGEDLO N#Cc1ccc2[nH]cc(C[NH+]3CCN(Cc4ccccc4)CC3)c2c1 ZINC001140112548 1378011079 /nfs/dbraw/zinc/01/10/79/1378011079.db2.gz OXSJZBODRSHMQU-UHFFFAOYSA-N 1 2 330.435 3.357 20 30 EGEDLO C=CCOC(=O)N1CC[NH+](Cc2ccccc2-c2nccs2)CC1 ZINC001140455313 1378065671 /nfs/dbraw/zinc/06/56/71/1378065671.db2.gz YJORUZBKNFHGRW-UHFFFAOYSA-N 1 2 343.452 3.250 20 30 EGEDLO COc1cccc([C@@H]2CSCC[N@@H+]2Cc2ccc(C#N)nc2)c1 ZINC001140547626 1378083141 /nfs/dbraw/zinc/08/31/41/1378083141.db2.gz XOPOUGNCURBRDZ-SFHVURJKSA-N 1 2 325.437 3.252 20 30 EGEDLO COc1cccc([C@@H]2CSCC[N@H+]2Cc2ccc(C#N)nc2)c1 ZINC001140547626 1378083142 /nfs/dbraw/zinc/08/31/42/1378083142.db2.gz XOPOUGNCURBRDZ-SFHVURJKSA-N 1 2 325.437 3.252 20 30 EGEDLO N#Cc1c(F)cc(C[NH+]2CCC(Oc3ccncc3)CC2)cc1F ZINC001140753028 1378129238 /nfs/dbraw/zinc/12/92/38/1378129238.db2.gz VDEXRBOXGHHCCE-UHFFFAOYSA-N 1 2 329.350 3.275 20 30 EGEDLO N#Cc1c(F)cc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1F ZINC001140753634 1378130371 /nfs/dbraw/zinc/13/03/71/1378130371.db2.gz JNJSADHICLSRDM-UHFFFAOYSA-N 1 2 345.368 3.293 20 30 EGEDLO CC(C)CC(=O)N1CCC[N@H+](Cc2cccc(C#N)c2Cl)CC1 ZINC001140812806 1378148224 /nfs/dbraw/zinc/14/82/24/1378148224.db2.gz LTGLNWFULULJDH-UHFFFAOYSA-N 1 2 333.863 3.292 20 30 EGEDLO CC(C)CC(=O)N1CCC[N@@H+](Cc2cccc(C#N)c2Cl)CC1 ZINC001140812806 1378148231 /nfs/dbraw/zinc/14/82/31/1378148231.db2.gz LTGLNWFULULJDH-UHFFFAOYSA-N 1 2 333.863 3.292 20 30 EGEDLO C#C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2I)C1 ZINC001140987218 1378200049 /nfs/dbraw/zinc/20/00/49/1378200049.db2.gz LINCGZLEINQENY-LLVKDONJSA-N 1 2 343.183 3.276 20 30 EGEDLO C#C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2I)C1 ZINC001140987218 1378200057 /nfs/dbraw/zinc/20/00/57/1378200057.db2.gz LINCGZLEINQENY-LLVKDONJSA-N 1 2 343.183 3.276 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cnc(CCCC)[nH]1)C2 ZINC001141069918 1378229992 /nfs/dbraw/zinc/22/99/92/1378229992.db2.gz IPGYDKWEXMPJRH-HKUYNNGSSA-N 1 2 333.476 3.078 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cnc(CCCC)[nH]1)C2 ZINC001141069918 1378229998 /nfs/dbraw/zinc/22/99/98/1378229998.db2.gz IPGYDKWEXMPJRH-HKUYNNGSSA-N 1 2 333.476 3.078 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c[nH]c(CCCC)n1)C2 ZINC001141069918 1378230003 /nfs/dbraw/zinc/23/00/03/1378230003.db2.gz IPGYDKWEXMPJRH-HKUYNNGSSA-N 1 2 333.476 3.078 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1c[nH]c(CCCC)n1)C2 ZINC001141069918 1378230008 /nfs/dbraw/zinc/23/00/08/1378230008.db2.gz IPGYDKWEXMPJRH-HKUYNNGSSA-N 1 2 333.476 3.078 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccc(F)cc3C#N)CC[C@H]21 ZINC001141163529 1378256255 /nfs/dbraw/zinc/25/62/55/1378256255.db2.gz IIVBXUANYZULJK-NVXWUHKLSA-N 1 2 345.418 3.139 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(F)cc3C#N)CC[C@H]21 ZINC001141163529 1378256264 /nfs/dbraw/zinc/25/62/64/1378256264.db2.gz IIVBXUANYZULJK-NVXWUHKLSA-N 1 2 345.418 3.139 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(F)cc3C#N)C[C@H]21 ZINC001141163513 1378256322 /nfs/dbraw/zinc/25/63/22/1378256322.db2.gz HSTAPARCXODQDP-WMLDXEAASA-N 1 2 345.418 3.139 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(F)cc3C#N)C[C@H]21 ZINC001141163513 1378256323 /nfs/dbraw/zinc/25/63/23/1378256323.db2.gz HSTAPARCXODQDP-WMLDXEAASA-N 1 2 345.418 3.139 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@](O)(CF)CC1 ZINC001141807503 1378380622 /nfs/dbraw/zinc/38/06/22/1378380622.db2.gz LTASPXKPODFTFE-HNNXBMFYSA-N 1 2 341.224 3.007 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@](O)(CF)CC1 ZINC001141807503 1378380628 /nfs/dbraw/zinc/38/06/28/1378380628.db2.gz LTASPXKPODFTFE-HNNXBMFYSA-N 1 2 341.224 3.007 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+](Cc2cccnc2)C2CCOCC2)c1F ZINC001143173226 1378553750 /nfs/dbraw/zinc/55/37/50/1378553750.db2.gz SDLQCSMWPNARBY-UHFFFAOYSA-N 1 2 343.377 3.413 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+](Cc2cccnc2)C2CCOCC2)c1F ZINC001143173226 1378553753 /nfs/dbraw/zinc/55/37/53/1378553753.db2.gz SDLQCSMWPNARBY-UHFFFAOYSA-N 1 2 343.377 3.413 20 30 EGEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1c(Cl)cccc1C#N)CC2 ZINC001143723945 1378638913 /nfs/dbraw/zinc/63/89/13/1378638913.db2.gz KQUXPGHXQOICSZ-UHFFFAOYSA-N 1 2 343.858 3.355 20 30 EGEDLO COc1ccnc(O[C@H]2CC[N@H+](Cc3c(Cl)cccc3C#N)C2)c1 ZINC001143732797 1378639562 /nfs/dbraw/zinc/63/95/62/1378639562.db2.gz UPGTVCHUQBDLHX-HNNXBMFYSA-N 1 2 343.814 3.269 20 30 EGEDLO COc1ccnc(O[C@H]2CC[N@@H+](Cc3c(Cl)cccc3C#N)C2)c1 ZINC001143732797 1378639567 /nfs/dbraw/zinc/63/95/67/1378639567.db2.gz UPGTVCHUQBDLHX-HNNXBMFYSA-N 1 2 343.814 3.269 20 30 EGEDLO COc1cccc([C@@H]2CSCC[N@@H+]2Cc2cncc(C#N)c2)c1 ZINC001144086078 1378681792 /nfs/dbraw/zinc/68/17/92/1378681792.db2.gz LDUMXLKQDAOVFA-SFHVURJKSA-N 1 2 325.437 3.252 20 30 EGEDLO COc1cccc([C@@H]2CSCC[N@H+]2Cc2cncc(C#N)c2)c1 ZINC001144086078 1378681794 /nfs/dbraw/zinc/68/17/94/1378681794.db2.gz LDUMXLKQDAOVFA-SFHVURJKSA-N 1 2 325.437 3.252 20 30 EGEDLO C=C(Cc1ccccc1)C(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001144395526 1378726056 /nfs/dbraw/zinc/72/60/56/1378726056.db2.gz YLGFRNMGHWEOTM-KRWDZBQOSA-N 1 2 334.410 3.117 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)C[C@@H](C)C(C)C)C2)C1 ZINC001147244392 1378996383 /nfs/dbraw/zinc/99/63/83/1378996383.db2.gz DRYUWUSKFNZHFF-CYBMUJFWSA-N 1 2 343.309 3.112 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)C[C@@H](C)C(C)C)C2)C1 ZINC001147244392 1378996384 /nfs/dbraw/zinc/99/63/84/1378996384.db2.gz DRYUWUSKFNZHFF-CYBMUJFWSA-N 1 2 343.309 3.112 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C\Cl)C2 ZINC001147652479 1379055757 /nfs/dbraw/zinc/05/57/57/1379055757.db2.gz LDLUHUVWELNDDC-MDWZMJQESA-N 1 2 331.287 3.442 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@@H+](C/C(Cl)=C\Cl)C2 ZINC001147652479 1379055759 /nfs/dbraw/zinc/05/57/59/1379055759.db2.gz LDLUHUVWELNDDC-MDWZMJQESA-N 1 2 331.287 3.442 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1coc(C3CC3)n1)C2 ZINC001148095988 1379116584 /nfs/dbraw/zinc/11/65/84/1379116584.db2.gz SHOGFEGPZQGSRA-HUUCEWRRSA-N 1 2 343.471 3.045 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1coc(C3CC3)n1)C2 ZINC001148095988 1379116589 /nfs/dbraw/zinc/11/65/89/1379116589.db2.gz SHOGFEGPZQGSRA-HUUCEWRRSA-N 1 2 343.471 3.045 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NCc1ccco1 ZINC001327876362 1388612661 /nfs/dbraw/zinc/61/26/61/1388612661.db2.gz WCBATEZXNJBSCK-INIZCTEOSA-N 1 2 344.459 3.140 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NCc1ccco1 ZINC001327876362 1388612663 /nfs/dbraw/zinc/61/26/63/1388612663.db2.gz WCBATEZXNJBSCK-INIZCTEOSA-N 1 2 344.459 3.140 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C[C@H](C)C(C)(C)C)C1 ZINC001150640230 1379584401 /nfs/dbraw/zinc/58/44/01/1379584401.db2.gz NGVZTNOASPZSET-DZGCQCFKSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C[C@H](C)C(C)(C)C)C1 ZINC001150640230 1379584403 /nfs/dbraw/zinc/58/44/03/1379584403.db2.gz NGVZTNOASPZSET-DZGCQCFKSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)CCCC2CCCC2)C1 ZINC001150788917 1379615820 /nfs/dbraw/zinc/61/58/20/1379615820.db2.gz WJVBZTYSJOATSF-QGZVFWFLSA-N 1 2 342.911 3.307 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)CCCC2CCCC2)C1 ZINC001150788917 1379615823 /nfs/dbraw/zinc/61/58/23/1379615823.db2.gz WJVBZTYSJOATSF-QGZVFWFLSA-N 1 2 342.911 3.307 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001150796281 1379616991 /nfs/dbraw/zinc/61/69/91/1379616991.db2.gz SPVFSKVZJAJZCB-SJORKVTESA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001150796281 1379616993 /nfs/dbraw/zinc/61/69/93/1379616993.db2.gz SPVFSKVZJAJZCB-SJORKVTESA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(C)s1 ZINC001151632080 1379750157 /nfs/dbraw/zinc/75/01/57/1379750157.db2.gz ZCMMPWFYVZUIPO-LLVKDONJSA-N 1 2 345.306 3.405 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C)s1 ZINC001151632080 1379750160 /nfs/dbraw/zinc/75/01/60/1379750160.db2.gz ZCMMPWFYVZUIPO-LLVKDONJSA-N 1 2 345.306 3.405 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)C(C)C ZINC001152333746 1379911792 /nfs/dbraw/zinc/91/17/92/1379911792.db2.gz PCGPOGZSZRDAJF-TZMCWYRMSA-N 1 2 333.314 3.404 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)C(C)C ZINC001152333746 1379911795 /nfs/dbraw/zinc/91/17/95/1379911795.db2.gz PCGPOGZSZRDAJF-TZMCWYRMSA-N 1 2 333.314 3.404 20 30 EGEDLO CC(C)N(CC[N@H+](C)Cc1cc(F)ccc1C#N)C(=O)[C@H]1C[C@@H]1C ZINC001284528242 1379929840 /nfs/dbraw/zinc/92/98/40/1379929840.db2.gz UQXOSLULWSKNCT-KSSFIOAISA-N 1 2 331.435 3.022 20 30 EGEDLO CC(C)N(CC[N@@H+](C)Cc1cc(F)ccc1C#N)C(=O)[C@H]1C[C@@H]1C ZINC001284528242 1379929843 /nfs/dbraw/zinc/92/98/43/1379929843.db2.gz UQXOSLULWSKNCT-KSSFIOAISA-N 1 2 331.435 3.022 20 30 EGEDLO CC/C(C)=C/C(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(F)ccc1C#N ZINC001153180668 1380031825 /nfs/dbraw/zinc/03/18/25/1380031825.db2.gz LQIYCZOSKSLXIS-AAWPKVBNSA-N 1 2 331.435 3.380 20 30 EGEDLO CC/C(C)=C/C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(F)ccc1C#N ZINC001153180668 1380031826 /nfs/dbraw/zinc/03/18/26/1380031826.db2.gz LQIYCZOSKSLXIS-AAWPKVBNSA-N 1 2 331.435 3.380 20 30 EGEDLO CC[N@H+](Cc1csc(C(C)(C)C)n1)[C@H](C)CNC(=O)C#CC(C)C ZINC001153215377 1380037914 /nfs/dbraw/zinc/03/79/14/1380037914.db2.gz ZXQXSOQZNAGITJ-OAHLLOKOSA-N 1 2 349.544 3.427 20 30 EGEDLO CC[N@@H+](Cc1csc(C(C)(C)C)n1)[C@H](C)CNC(=O)C#CC(C)C ZINC001153215377 1380037922 /nfs/dbraw/zinc/03/79/22/1380037922.db2.gz ZXQXSOQZNAGITJ-OAHLLOKOSA-N 1 2 349.544 3.427 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(Cl)n1C ZINC001154751153 1380345887 /nfs/dbraw/zinc/34/58/87/1380345887.db2.gz OPLLRWMMKHFLSP-ZIAGYGMSSA-N 1 2 340.899 3.002 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(Cl)n1C ZINC001154751153 1380345888 /nfs/dbraw/zinc/34/58/88/1380345888.db2.gz OPLLRWMMKHFLSP-ZIAGYGMSSA-N 1 2 340.899 3.002 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@H+](CC)CC(=C)Br ZINC001155066597 1380401641 /nfs/dbraw/zinc/40/16/41/1380401641.db2.gz KRUFFXBHJICVKP-UKRRQHHQSA-N 1 2 331.298 3.324 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)Br ZINC001155066597 1380401642 /nfs/dbraw/zinc/40/16/42/1380401642.db2.gz KRUFFXBHJICVKP-UKRRQHHQSA-N 1 2 331.298 3.324 20 30 EGEDLO N#C[C@H]1C[NH2+]CCN1c1nc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC001156320055 1380557962 /nfs/dbraw/zinc/55/79/62/1380557962.db2.gz OFWLNAVEXUAGQN-HNNXBMFYSA-N 1 2 349.825 3.252 20 30 EGEDLO COc1cc2[nH+]c(C)nc(NCc3ccccc3C#N)c2cc1OC ZINC001156785951 1380635129 /nfs/dbraw/zinc/63/51/29/1380635129.db2.gz PNYBPJXDXOHXQL-UHFFFAOYSA-N 1 2 334.379 3.439 20 30 EGEDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc2[nH]c(C#N)cc2n1 ZINC001156788288 1380637827 /nfs/dbraw/zinc/63/78/27/1380637827.db2.gz RWVQPLSJJSHLPB-UHFFFAOYSA-N 1 2 328.379 3.257 20 30 EGEDLO N#Cc1cccc(C(F)(F)F)c1NC(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156972281 1380740233 /nfs/dbraw/zinc/74/02/33/1380740233.db2.gz WYHAMEQOGCAHIZ-UHFFFAOYSA-N 1 2 345.284 3.288 20 30 EGEDLO C=C[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1cscn1)c1ccccc1 ZINC001157058330 1380764976 /nfs/dbraw/zinc/76/49/76/1380764976.db2.gz SPUJDAUFGXOWFX-QAPCUYQASA-N 1 2 343.496 3.440 20 30 EGEDLO C=C[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cscn1)c1ccccc1 ZINC001157058330 1380764979 /nfs/dbraw/zinc/76/49/79/1380764979.db2.gz SPUJDAUFGXOWFX-QAPCUYQASA-N 1 2 343.496 3.440 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)C1CC1 ZINC001157761922 1381025135 /nfs/dbraw/zinc/02/51/35/1381025135.db2.gz IDTHBJRFMCRNNY-UKRRQHHQSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)C1CC1 ZINC001157761922 1381025143 /nfs/dbraw/zinc/02/51/43/1381025143.db2.gz IDTHBJRFMCRNNY-UKRRQHHQSA-N 1 2 343.309 3.254 20 30 EGEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccn(C(C)C)n1 ZINC001157908532 1381067291 /nfs/dbraw/zinc/06/72/91/1381067291.db2.gz WGUDFQPHMJUQLV-LJQANCHMSA-N 1 2 344.503 3.080 20 30 EGEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccn(C(C)C)n1 ZINC001157908532 1381067296 /nfs/dbraw/zinc/06/72/96/1381067296.db2.gz WGUDFQPHMJUQLV-LJQANCHMSA-N 1 2 344.503 3.080 20 30 EGEDLO N#CC1(c2ccc(N3CC[C@@H]([NH+]4CCCC4)C(F)(F)C3)nc2)CCC1 ZINC001158621786 1381325992 /nfs/dbraw/zinc/32/59/92/1381325992.db2.gz JHCQGVJBVJEQBM-MRXNPFEDSA-N 1 2 346.425 3.337 20 30 EGEDLO C=CCCOCC(=O)N[C@H](C)C1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC001755845674 1440933236 /nfs/dbraw/zinc/93/32/36/1440933236.db2.gz UFLYOYGXZNUZCE-QQFZQELXSA-N 1 2 349.302 3.115 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)CC2CCC2)CC1 ZINC001159693960 1381872002 /nfs/dbraw/zinc/87/20/02/1381872002.db2.gz ZAWCJEHSQQDCKD-UHFFFAOYSA-N 1 2 341.293 3.224 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)CC2CCC2)CC1 ZINC001159693960 1381872008 /nfs/dbraw/zinc/87/20/08/1381872008.db2.gz ZAWCJEHSQQDCKD-UHFFFAOYSA-N 1 2 341.293 3.224 20 30 EGEDLO NC(=O)c1ccc(C(=[NH2+])Nc2cc(Cl)nc3sccc32)cc1 ZINC001160079133 1381991110 /nfs/dbraw/zinc/99/11/10/1381991110.db2.gz AGDBKFFLLHAMDY-UHFFFAOYSA-N 1 2 330.800 3.086 20 30 EGEDLO C=C(C)CCC(=O)NCCC1=CC[N@H+]([C@H](C)c2nnc(C)s2)CC1 ZINC001160264638 1382055472 /nfs/dbraw/zinc/05/54/72/1382055472.db2.gz VKIRGQNLHGHACW-CQSZACIVSA-N 1 2 348.516 3.402 20 30 EGEDLO C=C(C)CCC(=O)NCCC1=CC[N@@H+]([C@H](C)c2nnc(C)s2)CC1 ZINC001160264638 1382055476 /nfs/dbraw/zinc/05/54/76/1382055476.db2.gz VKIRGQNLHGHACW-CQSZACIVSA-N 1 2 348.516 3.402 20 30 EGEDLO N#Cc1ccc(Nc2ccc(O[C@H]3CC[NH2+]CC3(F)F)cc2)c(N)c1 ZINC001160347652 1382078781 /nfs/dbraw/zinc/07/87/81/1382078781.db2.gz GZMHUWRIAMFEHD-KRWDZBQOSA-N 1 2 344.365 3.260 20 30 EGEDLO CC(C)(C)C#CCNc1cc(N2CCN(c3ccccc3)CC2)nc[nH+]1 ZINC001160393552 1382091962 /nfs/dbraw/zinc/09/19/62/1382091962.db2.gz MWSIJOKPRCNACC-UHFFFAOYSA-N 1 2 349.482 3.265 20 30 EGEDLO CC(C)(C)C#CCNc1cc(N2CCN(c3ccccc3)CC2)[nH+]cn1 ZINC001160393552 1382091965 /nfs/dbraw/zinc/09/19/65/1382091965.db2.gz MWSIJOKPRCNACC-UHFFFAOYSA-N 1 2 349.482 3.265 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@H+]([C@@H](C)c2ncccn2)CC1 ZINC001160856777 1382217316 /nfs/dbraw/zinc/21/73/16/1382217316.db2.gz PRUIHHGZESJEBP-INIZCTEOSA-N 1 2 342.487 3.278 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@@H+]([C@@H](C)c2ncccn2)CC1 ZINC001160856777 1382217322 /nfs/dbraw/zinc/21/73/22/1382217322.db2.gz PRUIHHGZESJEBP-INIZCTEOSA-N 1 2 342.487 3.278 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@H+](Cc2ccn(CC)n2)CC1 ZINC001160992721 1382265530 /nfs/dbraw/zinc/26/55/30/1382265530.db2.gz ZLFKDNYGLVWPJU-QGZVFWFLSA-N 1 2 344.503 3.144 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@@H+](Cc2ccn(CC)n2)CC1 ZINC001160992721 1382265534 /nfs/dbraw/zinc/26/55/34/1382265534.db2.gz ZLFKDNYGLVWPJU-QGZVFWFLSA-N 1 2 344.503 3.144 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@H+](Cc2nccn2CC)CC1 ZINC001161116414 1382304601 /nfs/dbraw/zinc/30/46/01/1382304601.db2.gz IDTGDIWQVHEVHL-HXUWFJFHSA-N 1 2 344.503 3.144 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@@H+](Cc2nccn2CC)CC1 ZINC001161116414 1382304603 /nfs/dbraw/zinc/30/46/03/1382304603.db2.gz IDTGDIWQVHEVHL-HXUWFJFHSA-N 1 2 344.503 3.144 20 30 EGEDLO Cc1cnc(NC2CN(c3cccc[nH+]3)C2)c(C#C[Si](C)(C)C)c1 ZINC001161322776 1382371456 /nfs/dbraw/zinc/37/14/56/1382371456.db2.gz OIZDLQFPHXJWDS-UHFFFAOYSA-N 1 2 336.515 3.315 20 30 EGEDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC001294045130 1382410979 /nfs/dbraw/zinc/41/09/79/1382410979.db2.gz LFIWUVUBVYNPSC-UHFFFAOYSA-N 1 2 341.789 3.013 20 30 EGEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC001294045130 1382410981 /nfs/dbraw/zinc/41/09/81/1382410981.db2.gz LFIWUVUBVYNPSC-UHFFFAOYSA-N 1 2 341.789 3.013 20 30 EGEDLO CCc1cc(N2CCCN(c3ccccc3C#N)CC2)nc(CC)[nH+]1 ZINC001162417449 1382752090 /nfs/dbraw/zinc/75/20/90/1382752090.db2.gz FLQAVYOBEOECOQ-UHFFFAOYSA-N 1 2 335.455 3.190 20 30 EGEDLO C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)C(F)C(F)(F)F ZINC001162822626 1382886943 /nfs/dbraw/zinc/88/69/43/1382886943.db2.gz VPCZHJXDWCDGDB-OAHLLOKOSA-N 1 2 346.368 3.124 20 30 EGEDLO C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](F)C(F)(F)F ZINC001162822626 1382886949 /nfs/dbraw/zinc/88/69/49/1382886949.db2.gz VPCZHJXDWCDGDB-OAHLLOKOSA-N 1 2 346.368 3.124 20 30 EGEDLO CC[C@H]1N(c2[nH+]ccc3ccc(C#N)cc32)CCC[C@]12CCC(=O)N2 ZINC001165919409 1383364255 /nfs/dbraw/zinc/36/42/55/1383364255.db2.gz PJPRFWYUTNVKEI-XLIONFOSSA-N 1 2 334.423 3.134 20 30 EGEDLO C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001167167798 1383557251 /nfs/dbraw/zinc/55/72/51/1383557251.db2.gz QHDVSMJTLXOBBK-CVEARBPZSA-N 1 2 344.503 3.060 20 30 EGEDLO N#Cc1cc(F)ccc1N1CC[NH+](CCc2c(F)cccc2F)CC1 ZINC001308007166 1384072936 /nfs/dbraw/zinc/07/29/36/1384072936.db2.gz CISCYENGFYODLQ-UHFFFAOYSA-N 1 2 345.368 3.340 20 30 EGEDLO CC(C)(C)C(=O)Nc1ccc(N)[nH+]c1NC1=CC(=O)CC(C)(C)C1 ZINC001169947228 1384202139 /nfs/dbraw/zinc/20/21/39/1384202139.db2.gz VTVVQDKOXYMUDF-UHFFFAOYSA-N 1 2 330.432 3.333 20 30 EGEDLO C[C@@H](CCCC[NH2+]CCC(F)(F)F)NC(=O)C(F)C(F)(F)F ZINC001170906723 1384408543 /nfs/dbraw/zinc/40/85/43/1384408543.db2.gz CPGDKUSLBYUXFI-DTWKUNHWSA-N 1 2 340.283 3.104 20 30 EGEDLO C[C@@H](CCCC[NH2+]CCC(F)(F)F)NC(=O)[C@@H](F)C(F)(F)F ZINC001170906723 1384408544 /nfs/dbraw/zinc/40/85/44/1384408544.db2.gz CPGDKUSLBYUXFI-DTWKUNHWSA-N 1 2 340.283 3.104 20 30 EGEDLO COc1ccc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)nc1CC#N ZINC001171185925 1384463283 /nfs/dbraw/zinc/46/32/83/1384463283.db2.gz LFSIUYVXMSXURN-UHFFFAOYSA-N 1 2 332.363 3.052 20 30 EGEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C1 ZINC001171222093 1384472673 /nfs/dbraw/zinc/47/26/73/1384472673.db2.gz CTRWLLJJROVCKX-RRQGHBQHSA-N 1 2 347.434 3.036 20 30 EGEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C1 ZINC001171222093 1384472674 /nfs/dbraw/zinc/47/26/74/1384472674.db2.gz CTRWLLJJROVCKX-RRQGHBQHSA-N 1 2 347.434 3.036 20 30 EGEDLO C=CC[C@@](C)([NH2+][C@@H]1CCc2c(Cl)ccc(OC)c2C1)C(=O)OC ZINC001171316732 1384493382 /nfs/dbraw/zinc/49/33/82/1384493382.db2.gz PVCJDFQOLMPLDU-KZULUSFZSA-N 1 2 337.847 3.303 20 30 EGEDLO CSCC[C@H]([NH2+][C@H](C)Cc1ccc(C#N)cc1)C(=O)OC(C)C ZINC001172297491 1384763287 /nfs/dbraw/zinc/76/32/87/1384763287.db2.gz FMBDTYMSKQXVJE-PBHICJAKSA-N 1 2 334.485 3.152 20 30 EGEDLO C=CCOC1CCC([NH2+][C@@H](Cc2ccc(F)cc2)C(=O)OCC)CC1 ZINC001173318157 1384956992 /nfs/dbraw/zinc/95/69/92/1384956992.db2.gz QIYNXJPWAWZTKC-ACBHZAAOSA-N 1 2 349.446 3.403 20 30 EGEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@H](C)Cc1ccc(C(=O)OC)cc1 ZINC001173715804 1385007424 /nfs/dbraw/zinc/00/74/24/1385007424.db2.gz PWTHFEWYKJQZIH-QAPCUYQASA-N 1 2 347.455 3.138 20 30 EGEDLO Cc1ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c(C#N)c1 ZINC001174431928 1385108071 /nfs/dbraw/zinc/10/80/71/1385108071.db2.gz GANFUMSJJDJJHA-UHFFFAOYSA-N 1 2 337.423 3.321 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cc(C2CCCCC2)n[nH]1 ZINC001317480758 1385176816 /nfs/dbraw/zinc/17/68/16/1385176816.db2.gz ZJHDZSXXCPEKSN-UHFFFAOYSA-N 1 2 338.883 3.262 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cc(C2CCCCC2)n[nH]1 ZINC001317480758 1385176817 /nfs/dbraw/zinc/17/68/17/1385176817.db2.gz ZJHDZSXXCPEKSN-UHFFFAOYSA-N 1 2 338.883 3.262 20 30 EGEDLO CC(F)(F)C1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC001317944311 1385580090 /nfs/dbraw/zinc/58/00/90/1385580090.db2.gz GEFVRIWZBYOTCS-MRXNPFEDSA-N 1 2 347.409 3.074 20 30 EGEDLO CC(F)(F)C1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC001317944311 1385580093 /nfs/dbraw/zinc/58/00/93/1385580093.db2.gz GEFVRIWZBYOTCS-MRXNPFEDSA-N 1 2 347.409 3.074 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001318280999 1385639829 /nfs/dbraw/zinc/63/98/29/1385639829.db2.gz CEOTYCARBOQKKQ-SFHVURJKSA-N 1 2 344.886 3.484 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001318280999 1385639835 /nfs/dbraw/zinc/63/98/35/1385639835.db2.gz CEOTYCARBOQKKQ-SFHVURJKSA-N 1 2 344.886 3.484 20 30 EGEDLO C=C[C@@H](CC(=O)NCCC[NH2+]CC(F)(F)C(F)F)c1ccccc1 ZINC001176762430 1385687846 /nfs/dbraw/zinc/68/78/46/1385687846.db2.gz BKHTZHZPTILAGE-ZDUSSCGKSA-N 1 2 346.368 3.343 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@@H+](Cc3cc(C)sc3C)[C@H]2C1 ZINC001176954970 1385753382 /nfs/dbraw/zinc/75/33/82/1385753382.db2.gz LDWLDCHMMYHQED-ZWKOTPCHSA-N 1 2 348.512 3.133 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@H+](Cc3cc(C)sc3C)[C@H]2C1 ZINC001176954970 1385753388 /nfs/dbraw/zinc/75/33/88/1385753388.db2.gz LDWLDCHMMYHQED-ZWKOTPCHSA-N 1 2 348.512 3.133 20 30 EGEDLO Cc1cc(C#N)c(F)cc1NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176967676 1385757069 /nfs/dbraw/zinc/75/70/69/1385757069.db2.gz TYRIVZULGRJJBI-CQSZACIVSA-N 1 2 338.386 3.256 20 30 EGEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C(CC(C)C)CC(C)C)C[C@@H]21 ZINC001177157578 1385837996 /nfs/dbraw/zinc/83/79/96/1385837996.db2.gz SVZIRXADEYMQBG-PMACEKPBSA-N 1 2 348.531 3.020 20 30 EGEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(CC(C)C)CC(C)C)C[C@@H]21 ZINC001177157578 1385838000 /nfs/dbraw/zinc/83/80/00/1385838000.db2.gz SVZIRXADEYMQBG-PMACEKPBSA-N 1 2 348.531 3.020 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)Cc1ccccc1F ZINC001320041799 1386470149 /nfs/dbraw/zinc/47/01/49/1386470149.db2.gz JWXITQXLRDRCLX-ZDUSSCGKSA-N 1 2 326.843 3.147 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](C)Cc1ccccc1F ZINC001320041799 1386470152 /nfs/dbraw/zinc/47/01/52/1386470152.db2.gz JWXITQXLRDRCLX-ZDUSSCGKSA-N 1 2 326.843 3.147 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1ccsc1Cl ZINC001320057184 1386479810 /nfs/dbraw/zinc/47/98/10/1386479810.db2.gz AKXXSAVLBATWRB-UHFFFAOYSA-N 1 2 347.871 3.477 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1ccsc1Cl ZINC001320057184 1386479813 /nfs/dbraw/zinc/47/98/13/1386479813.db2.gz AKXXSAVLBATWRB-UHFFFAOYSA-N 1 2 347.871 3.477 20 30 EGEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)CCCF ZINC001339774127 1390139550 /nfs/dbraw/zinc/13/95/50/1390139550.db2.gz JWZHFVFMGHYQIA-INIZCTEOSA-N 1 2 345.466 3.453 20 30 EGEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)CCCF ZINC001339774127 1390139554 /nfs/dbraw/zinc/13/95/54/1390139554.db2.gz JWZHFVFMGHYQIA-INIZCTEOSA-N 1 2 345.466 3.453 20 30 EGEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)c1ccccc1 ZINC001340151116 1390236857 /nfs/dbraw/zinc/23/68/57/1390236857.db2.gz BDFZGMASXNLPOZ-UHFFFAOYSA-N 1 2 338.459 3.159 20 30 EGEDLO C=CC[C@H]1CCCN(c2nnc([C@@H]3CCCC[N@H+]3C)n2CC=C)C1 ZINC001340390406 1390281670 /nfs/dbraw/zinc/28/16/70/1390281670.db2.gz OEXYWRCEQIQCHG-IRXDYDNUSA-N 1 2 329.492 3.413 20 30 EGEDLO C=CC[C@H]1CCCN(c2nnc([C@@H]3CCCC[N@@H+]3C)n2CC=C)C1 ZINC001340390406 1390281672 /nfs/dbraw/zinc/28/16/72/1390281672.db2.gz OEXYWRCEQIQCHG-IRXDYDNUSA-N 1 2 329.492 3.413 20 30 EGEDLO C=CC[C@@H]1CCCN(c2nnc(Cc3[nH+]ccn3C)n2CC(C)C)C1 ZINC001342953256 1390677306 /nfs/dbraw/zinc/67/73/06/1390677306.db2.gz RPNXQRJTXGHENO-MRXNPFEDSA-N 1 2 342.491 3.051 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC[C@@H](OC(C)C)C1 ZINC001343458406 1390715589 /nfs/dbraw/zinc/71/55/89/1390715589.db2.gz XBFKYZXUVCNRGB-IAGOWNOFSA-N 1 2 347.507 3.015 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC[C@@H](OC(C)C)C1 ZINC001343458406 1390715591 /nfs/dbraw/zinc/71/55/91/1390715591.db2.gz XBFKYZXUVCNRGB-IAGOWNOFSA-N 1 2 347.507 3.015 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)[C@@H](C)CCSC ZINC001343547597 1390721893 /nfs/dbraw/zinc/72/18/93/1390721893.db2.gz YGSSVFQVGYYNOV-LSDHHAIUSA-N 1 2 337.537 3.199 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N(C)[C@@H](C)CCSC ZINC001343547597 1390721895 /nfs/dbraw/zinc/72/18/95/1390721895.db2.gz YGSSVFQVGYYNOV-LSDHHAIUSA-N 1 2 337.537 3.199 20 30 EGEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)CCCC ZINC001343947273 1390745812 /nfs/dbraw/zinc/74/58/12/1390745812.db2.gz JZPXWAJDXUMGBN-SJORKVTESA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)CCCC ZINC001343947273 1390745813 /nfs/dbraw/zinc/74/58/13/1390745813.db2.gz JZPXWAJDXUMGBN-SJORKVTESA-N 1 2 347.507 3.016 20 30 EGEDLO Cn1cc[nH+]c1CCNC(=O)c1ccccc1Oc1ccccc1C#N ZINC001350489077 1391470282 /nfs/dbraw/zinc/47/02/82/1391470282.db2.gz SZEITDIPRWDDRZ-UHFFFAOYSA-N 1 2 346.390 3.057 20 30 EGEDLO C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)c1cccc2nc(C)[nH]c21 ZINC001698873347 1406594791 /nfs/dbraw/zinc/59/47/91/1406594791.db2.gz CQIMIGBSXZRBST-AWEZNQCLSA-N 1 2 348.878 3.358 20 30 EGEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)c1ccccc1F)C1CC1 ZINC001481158556 1393137698 /nfs/dbraw/zinc/13/76/98/1393137698.db2.gz RDLPGBGZDMNNDH-UHFFFAOYSA-N 1 2 337.398 3.092 20 30 EGEDLO N#Cc1ccccc1C[N@H+](CCNC(=O)c1ccccc1F)C1CC1 ZINC001481158556 1393137699 /nfs/dbraw/zinc/13/76/99/1393137699.db2.gz RDLPGBGZDMNNDH-UHFFFAOYSA-N 1 2 337.398 3.092 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CSC(C)C)C[C@@H]1C ZINC001484965274 1395600924 /nfs/dbraw/zinc/60/09/24/1395600924.db2.gz ABFUJNJOWBNQBP-STQMWFEESA-N 1 2 349.338 3.006 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CSC(C)C)C[C@@H]1C ZINC001484965274 1395600927 /nfs/dbraw/zinc/60/09/27/1395600927.db2.gz ABFUJNJOWBNQBP-STQMWFEESA-N 1 2 349.338 3.006 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1snc(Cl)c1Cl ZINC001698987976 1406772801 /nfs/dbraw/zinc/77/28/01/1406772801.db2.gz KSSMTGPWZDAFEE-UHFFFAOYSA-N 1 2 342.679 3.206 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1snc(Cl)c1Cl ZINC001698987976 1406772806 /nfs/dbraw/zinc/77/28/06/1406772806.db2.gz KSSMTGPWZDAFEE-UHFFFAOYSA-N 1 2 342.679 3.206 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2ccc(Cl)[nH]2)C1 ZINC001691861327 1405580638 /nfs/dbraw/zinc/58/06/38/1405580638.db2.gz VASJBDAVJFXPMH-GFCCVEGCSA-N 1 2 330.259 3.347 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccc(Cl)[nH]2)C1 ZINC001691861327 1405580640 /nfs/dbraw/zinc/58/06/40/1405580640.db2.gz VASJBDAVJFXPMH-GFCCVEGCSA-N 1 2 330.259 3.347 20 30 EGEDLO C[C@H](C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1)C1CCCC1 ZINC001692344220 1405962903 /nfs/dbraw/zinc/96/29/03/1405962903.db2.gz OTDFMGXSICXWRR-AWEZNQCLSA-N 1 2 343.446 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2occ3c2CCC3)C1 ZINC001732039179 1428264668 /nfs/dbraw/zinc/26/46/68/1428264668.db2.gz PPDCOVVZVKZALH-OAHLLOKOSA-N 1 2 336.863 3.447 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2occ3c2CCC3)C1 ZINC001732039179 1428264671 /nfs/dbraw/zinc/26/46/71/1428264671.db2.gz PPDCOVVZVKZALH-OAHLLOKOSA-N 1 2 336.863 3.447 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc2cccc(OC)c2o1 ZINC001699462242 1412818783 /nfs/dbraw/zinc/81/87/83/1412818783.db2.gz RMXUUCILXXIBBJ-GFCCVEGCSA-N 1 2 336.819 3.244 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cc2cccc(OC)c2o1 ZINC001699462242 1412818787 /nfs/dbraw/zinc/81/87/87/1412818787.db2.gz RMXUUCILXXIBBJ-GFCCVEGCSA-N 1 2 336.819 3.244 20 30 EGEDLO CC1(C(=O)NCc2ccc3c(c2)C[N@@H+](Cc2cccc(C#N)c2)C3)CC1 ZINC001700254068 1413704330 /nfs/dbraw/zinc/70/43/30/1413704330.db2.gz VPRSFTHMWKSUEU-UHFFFAOYSA-N 1 2 345.446 3.490 20 30 EGEDLO CC1(C(=O)NCc2ccc3c(c2)C[N@H+](Cc2cccc(C#N)c2)C3)CC1 ZINC001700254068 1413704337 /nfs/dbraw/zinc/70/43/37/1413704337.db2.gz VPRSFTHMWKSUEU-UHFFFAOYSA-N 1 2 345.446 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(N(CC)CC)cc1 ZINC001700483948 1414125443 /nfs/dbraw/zinc/12/54/43/1414125443.db2.gz JRPCGTUOBCKBKC-HNNXBMFYSA-N 1 2 337.895 3.335 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(N(CC)CC)cc1 ZINC001700483948 1414125447 /nfs/dbraw/zinc/12/54/47/1414125447.db2.gz JRPCGTUOBCKBKC-HNNXBMFYSA-N 1 2 337.895 3.335 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cnc(-c2ccco2)s1 ZINC001700483735 1414126037 /nfs/dbraw/zinc/12/60/37/1414126037.db2.gz SARWOGCADUJSLC-LLVKDONJSA-N 1 2 339.848 3.206 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cnc(-c2ccco2)s1 ZINC001700483735 1414126042 /nfs/dbraw/zinc/12/60/42/1414126042.db2.gz SARWOGCADUJSLC-LLVKDONJSA-N 1 2 339.848 3.206 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N(C)CC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001732590879 1428813662 /nfs/dbraw/zinc/81/36/62/1428813662.db2.gz IJYFUCJCWXCBEM-SJLPKXTDSA-N 1 2 345.462 3.270 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001732590879 1428813665 /nfs/dbraw/zinc/81/36/65/1428813665.db2.gz IJYFUCJCWXCBEM-SJLPKXTDSA-N 1 2 345.462 3.270 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCc2ccccc2F)[C@H]1C ZINC001700890423 1414549510 /nfs/dbraw/zinc/54/95/10/1414549510.db2.gz WDRUUXFGLSHPNM-RHSMWYFYSA-N 1 2 338.854 3.480 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCc2ccccc2F)[C@H]1C ZINC001700890423 1414549515 /nfs/dbraw/zinc/54/95/15/1414549515.db2.gz WDRUUXFGLSHPNM-RHSMWYFYSA-N 1 2 338.854 3.480 20 30 EGEDLO Cc1c(F)cccc1C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001713453452 1418101123 /nfs/dbraw/zinc/10/11/23/1418101123.db2.gz BUJRUCKAQSZQFE-UHFFFAOYSA-N 1 2 343.377 3.007 20 30 EGEDLO Cc1c(F)cccc1C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001713453452 1418101126 /nfs/dbraw/zinc/10/11/26/1418101126.db2.gz BUJRUCKAQSZQFE-UHFFFAOYSA-N 1 2 343.377 3.007 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)COc2ccsc2)C1 ZINC001713721160 1418494490 /nfs/dbraw/zinc/49/44/90/1418494490.db2.gz KUJNFZOYIZHKPU-AWEZNQCLSA-N 1 2 342.892 3.192 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)COc2ccsc2)C1 ZINC001713721160 1418494495 /nfs/dbraw/zinc/49/44/95/1418494495.db2.gz KUJNFZOYIZHKPU-AWEZNQCLSA-N 1 2 342.892 3.192 20 30 EGEDLO CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001713829746 1418628777 /nfs/dbraw/zinc/62/87/77/1418628777.db2.gz LIJUNOLNMFMWIK-QGZVFWFLSA-N 1 2 332.875 3.318 20 30 EGEDLO CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001713829746 1418628781 /nfs/dbraw/zinc/62/87/81/1418628781.db2.gz LIJUNOLNMFMWIK-QGZVFWFLSA-N 1 2 332.875 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)COc2ccccc2Cl)C1 ZINC001714026137 1418811474 /nfs/dbraw/zinc/81/14/74/1418811474.db2.gz YBGHIMGMKXGXSV-CYBMUJFWSA-N 1 2 343.254 3.004 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccccc2Cl)C1 ZINC001714026137 1418811476 /nfs/dbraw/zinc/81/14/76/1418811476.db2.gz YBGHIMGMKXGXSV-CYBMUJFWSA-N 1 2 343.254 3.004 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)OCCC(C)C)CC2 ZINC001714526019 1419252376 /nfs/dbraw/zinc/25/23/76/1419252376.db2.gz MFFUAWALPVSAKI-MRXNPFEDSA-N 1 2 342.911 3.115 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)CC(CC)CC ZINC001714615894 1419378000 /nfs/dbraw/zinc/37/80/00/1419378000.db2.gz FWGQFHDMAZZMCI-CQSZACIVSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)CC(CC)CC ZINC001714615894 1419378002 /nfs/dbraw/zinc/37/80/02/1419378002.db2.gz FWGQFHDMAZZMCI-CQSZACIVSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](CC)Cc2ccccc2C)C1 ZINC001714977645 1419712237 /nfs/dbraw/zinc/71/22/37/1419712237.db2.gz NAIPICZDJFMMJW-QGZVFWFLSA-N 1 2 334.891 3.364 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)C(C)(C)C1CC1 ZINC001715528356 1420217818 /nfs/dbraw/zinc/21/78/18/1420217818.db2.gz BUDJGGRHXJQHAL-UHFFFAOYSA-N 1 2 331.435 3.024 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)C(C)(C)C1CC1 ZINC001715528356 1420217821 /nfs/dbraw/zinc/21/78/21/1420217821.db2.gz BUDJGGRHXJQHAL-UHFFFAOYSA-N 1 2 331.435 3.024 20 30 EGEDLO Cc1cc(C)cc(CC(=O)N(C)CC[N@H+](C)Cc2ccccc2C#N)c1 ZINC001715532469 1420223618 /nfs/dbraw/zinc/22/36/18/1420223618.db2.gz YXOVSWALKFMULX-UHFFFAOYSA-N 1 2 349.478 3.308 20 30 EGEDLO Cc1cc(C)cc(CC(=O)N(C)CC[N@@H+](C)Cc2ccccc2C#N)c1 ZINC001715532469 1420223619 /nfs/dbraw/zinc/22/36/19/1420223619.db2.gz YXOVSWALKFMULX-UHFFFAOYSA-N 1 2 349.478 3.308 20 30 EGEDLO Cc1cccc(C(=O)N(C)CC[N@H+](C)Cc2cc(C#N)ccc2F)c1 ZINC001715750320 1420323740 /nfs/dbraw/zinc/32/37/40/1420323740.db2.gz FPGITVCCVFMSKU-UHFFFAOYSA-N 1 2 339.414 3.210 20 30 EGEDLO Cc1cccc(C(=O)N(C)CC[N@@H+](C)Cc2cc(C#N)ccc2F)c1 ZINC001715750320 1420323743 /nfs/dbraw/zinc/32/37/43/1420323743.db2.gz FPGITVCCVFMSKU-UHFFFAOYSA-N 1 2 339.414 3.210 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccccc1-n1cccc1 ZINC001716039942 1420500928 /nfs/dbraw/zinc/50/09/28/1420500928.db2.gz MUQUZHLSMGBESQ-HNNXBMFYSA-N 1 2 331.847 3.280 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccccc1-n1cccc1 ZINC001716039942 1420500932 /nfs/dbraw/zinc/50/09/32/1420500932.db2.gz MUQUZHLSMGBESQ-HNNXBMFYSA-N 1 2 331.847 3.280 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc(COC(C)C)cc1 ZINC001717498948 1421441530 /nfs/dbraw/zinc/44/15/30/1421441530.db2.gz UIAWEJQPFBKEMZ-OAHLLOKOSA-N 1 2 338.879 3.414 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccc(COC(C)C)cc1 ZINC001717498948 1421441532 /nfs/dbraw/zinc/44/15/32/1421441532.db2.gz UIAWEJQPFBKEMZ-OAHLLOKOSA-N 1 2 338.879 3.414 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCc2cccs2)[C@H]1C ZINC001717860177 1421672553 /nfs/dbraw/zinc/67/25/53/1421672553.db2.gz IBDHCGSZTLGHAC-UKRRQHHQSA-N 1 2 326.893 3.402 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCc2cccs2)[C@H]1C ZINC001717860177 1421672554 /nfs/dbraw/zinc/67/25/54/1421672554.db2.gz IBDHCGSZTLGHAC-UKRRQHHQSA-N 1 2 326.893 3.402 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1ccc2c(c1)CCCC2 ZINC001725193655 1425743820 /nfs/dbraw/zinc/74/38/20/1425743820.db2.gz QXUCQJBCAUYFQC-HNNXBMFYSA-N 1 2 334.891 3.297 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1ccc2c(c1)CCCC2 ZINC001725193655 1425743824 /nfs/dbraw/zinc/74/38/24/1425743824.db2.gz QXUCQJBCAUYFQC-HNNXBMFYSA-N 1 2 334.891 3.297 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(Cc3ccc(F)cc3)CC2)C1 ZINC001731375242 1427308817 /nfs/dbraw/zinc/30/88/17/1427308817.db2.gz RFWMGSAQUPOQIV-MRXNPFEDSA-N 1 2 336.838 3.091 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(Cc3ccc(F)cc3)CC2)C1 ZINC001731375242 1427308823 /nfs/dbraw/zinc/30/88/23/1427308823.db2.gz RFWMGSAQUPOQIV-MRXNPFEDSA-N 1 2 336.838 3.091 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC001752156591 1440147410 /nfs/dbraw/zinc/14/74/10/1440147410.db2.gz HRTQXDIWQBLFRU-MFKMUULPSA-N 1 2 346.809 3.073 20 30 EGEDLO C=CCCC(=O)N1CCC[C@@H]([N@@H+](C)[C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC001752988461 1440258630 /nfs/dbraw/zinc/25/86/30/1440258630.db2.gz LOUPPXOTCLWWJM-LSDHHAIUSA-N 1 2 348.491 3.317 20 30 EGEDLO C=CCCC(=O)N1CCC[C@@H]([N@H+](C)[C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC001752988461 1440258631 /nfs/dbraw/zinc/25/86/31/1440258631.db2.gz LOUPPXOTCLWWJM-LSDHHAIUSA-N 1 2 348.491 3.317 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1nsc2ccc(C)cc21 ZINC001753086524 1440296581 /nfs/dbraw/zinc/29/65/81/1440296581.db2.gz VPINWQLISVPOGG-UHFFFAOYSA-N 1 2 337.876 3.409 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1nsc2ccc(C)cc21 ZINC001753086524 1440296582 /nfs/dbraw/zinc/29/65/82/1440296582.db2.gz VPINWQLISVPOGG-UHFFFAOYSA-N 1 2 337.876 3.409 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1CCC[N@H+]1Cc1cc(C(C)(C)C)on1 ZINC001753109317 1440307735 /nfs/dbraw/zinc/30/77/35/1440307735.db2.gz BZQZDXZTSDLRFT-MRXNPFEDSA-N 1 2 333.476 3.409 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(C(C)(C)C)on1 ZINC001753109317 1440307736 /nfs/dbraw/zinc/30/77/36/1440307736.db2.gz BZQZDXZTSDLRFT-MRXNPFEDSA-N 1 2 333.476 3.409 20 30 EGEDLO O=C(CCCF)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001753308438 1440355968 /nfs/dbraw/zinc/35/59/68/1440355968.db2.gz YEFBQKSPQWMWSD-HDICACEKSA-N 1 2 348.849 3.116 20 30 EGEDLO O=C(CCCF)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001753308438 1440355969 /nfs/dbraw/zinc/35/59/69/1440355969.db2.gz YEFBQKSPQWMWSD-HDICACEKSA-N 1 2 348.849 3.116 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cn(C(C)C)nc1C ZINC001753421444 1440395209 /nfs/dbraw/zinc/39/52/09/1440395209.db2.gz KBZRRQBGSCSFGT-ROUUACIJSA-N 1 2 344.503 3.160 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cn(C(C)C)nc1C ZINC001753421444 1440395210 /nfs/dbraw/zinc/39/52/10/1440395210.db2.gz KBZRRQBGSCSFGT-ROUUACIJSA-N 1 2 344.503 3.160 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)C(CC)CC)C1 ZINC001753451271 1440406064 /nfs/dbraw/zinc/40/60/64/1440406064.db2.gz ADHIQZVMXPAJPQ-CQSZACIVSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)C(CC)CC)C1 ZINC001753451271 1440406065 /nfs/dbraw/zinc/40/60/65/1440406065.db2.gz ADHIQZVMXPAJPQ-CQSZACIVSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C3CC3)cc2)CCO1 ZINC001753648371 1440456187 /nfs/dbraw/zinc/45/61/87/1440456187.db2.gz FIPNNMWOSCCSFN-HXUWFJFHSA-N 1 2 342.483 3.237 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)CCO1 ZINC001753648371 1440456188 /nfs/dbraw/zinc/45/61/88/1440456188.db2.gz FIPNNMWOSCCSFN-HXUWFJFHSA-N 1 2 342.483 3.237 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001753863986 1440513124 /nfs/dbraw/zinc/51/31/24/1440513124.db2.gz VCGNGEPOEIKZBO-RTBURBONSA-N 1 2 327.472 3.131 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC001753863986 1440513125 /nfs/dbraw/zinc/51/31/25/1440513125.db2.gz VCGNGEPOEIKZBO-RTBURBONSA-N 1 2 327.472 3.131 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H](C)C[N@H+](C)Cc1cc(-c2ccco2)on1 ZINC001754323333 1440578931 /nfs/dbraw/zinc/57/89/31/1440578931.db2.gz PBUVRKSEKQVPOQ-AUUYWEPGSA-N 1 2 345.443 3.473 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H](C)C[N@@H+](C)Cc1cc(-c2ccco2)on1 ZINC001754323333 1440578932 /nfs/dbraw/zinc/57/89/32/1440578932.db2.gz PBUVRKSEKQVPOQ-AUUYWEPGSA-N 1 2 345.443 3.473 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1scnc1C(C)(C)C ZINC001754326346 1440580774 /nfs/dbraw/zinc/58/07/74/1440580774.db2.gz IJSNFDFBUFWRNO-NSHDSACASA-N 1 2 329.897 3.243 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1scnc1C(C)(C)C ZINC001754326346 1440580775 /nfs/dbraw/zinc/58/07/75/1440580775.db2.gz IJSNFDFBUFWRNO-NSHDSACASA-N 1 2 329.897 3.243 20 30 EGEDLO C=CCCO[C@H](C)C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(Cl)c1 ZINC001754475449 1440606377 /nfs/dbraw/zinc/60/63/77/1440606377.db2.gz OMXCUNYDCCBLAB-PBHICJAKSA-N 1 2 336.863 3.012 20 30 EGEDLO C=CCCO[C@H](C)C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(Cl)c1 ZINC001754475449 1440606378 /nfs/dbraw/zinc/60/63/78/1440606378.db2.gz OMXCUNYDCCBLAB-PBHICJAKSA-N 1 2 336.863 3.012 20 30 EGEDLO CN(C(=O)CC#Cc1ccccc1)C1C[NH+](C/C=C\c2ccccc2)C1 ZINC001754587171 1440640034 /nfs/dbraw/zinc/64/00/34/1440640034.db2.gz DSKLNVFDKBFAGS-DHDCSXOGSA-N 1 2 344.458 3.284 20 30 EGEDLO C=C[C@H](C(=O)N[C@@]1(C)CC[N@@H+](Cc2nocc2C)C1)c1ccccc1 ZINC001754682486 1440663291 /nfs/dbraw/zinc/66/32/91/1440663291.db2.gz MSKROQPBYCZCIQ-PXNSSMCTSA-N 1 2 339.439 3.033 20 30 EGEDLO C=C[C@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2nocc2C)C1)c1ccccc1 ZINC001754682486 1440663292 /nfs/dbraw/zinc/66/32/92/1440663292.db2.gz MSKROQPBYCZCIQ-PXNSSMCTSA-N 1 2 339.439 3.033 20 30 EGEDLO C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)c2cn(CC)nc2C)CC1 ZINC001754720428 1440672942 /nfs/dbraw/zinc/67/29/42/1440672942.db2.gz MEWULQYUROCOCF-MRXNPFEDSA-N 1 2 346.519 3.398 20 30 EGEDLO C=C1CCC(C(=O)NC[C@]2(C)CCC[N@H+](Cc3cnns3)C2)CC1 ZINC001754731290 1440679472 /nfs/dbraw/zinc/67/94/72/1440679472.db2.gz QTKUHSNIOZDOKO-SFHVURJKSA-N 1 2 348.516 3.003 20 30 EGEDLO C=C1CCC(C(=O)NC[C@]2(C)CCC[N@@H+](Cc3cnns3)C2)CC1 ZINC001754731290 1440679473 /nfs/dbraw/zinc/67/94/73/1440679473.db2.gz QTKUHSNIOZDOKO-SFHVURJKSA-N 1 2 348.516 3.003 20 30 EGEDLO C=C(Cl)C[N@@H+](C)Cc1ccccc1CNC(=O)c1ccnc(F)c1 ZINC001754945569 1440712742 /nfs/dbraw/zinc/71/27/42/1440712742.db2.gz AWMDUNHPIHYQJO-UHFFFAOYSA-N 1 2 347.821 3.335 20 30 EGEDLO C=C(Cl)C[N@H+](C)Cc1ccccc1CNC(=O)c1ccnc(F)c1 ZINC001754945569 1440712743 /nfs/dbraw/zinc/71/27/43/1440712743.db2.gz AWMDUNHPIHYQJO-UHFFFAOYSA-N 1 2 347.821 3.335 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1COCC[N@@H+]1Cc1ccccc1C1CC1 ZINC001754969810 1440718524 /nfs/dbraw/zinc/71/85/24/1440718524.db2.gz HRNMCCYNNSGBCD-SFHVURJKSA-N 1 2 342.483 3.093 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1COCC[N@H+]1Cc1ccccc1C1CC1 ZINC001754969810 1440718525 /nfs/dbraw/zinc/71/85/25/1440718525.db2.gz HRNMCCYNNSGBCD-SFHVURJKSA-N 1 2 342.483 3.093 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCC1([NH2+]Cc2nc(C3CCC3)no2)CCC1 ZINC001754986233 1440722897 /nfs/dbraw/zinc/72/28/97/1440722897.db2.gz XNJKVYOWSZOGDL-GOSISDBHSA-N 1 2 346.475 3.068 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[N@@H+](Cc2cscn2)CC1(C)C ZINC001755138686 1440759441 /nfs/dbraw/zinc/75/94/41/1440759441.db2.gz CESGLHFWUUWDPN-MRXNPFEDSA-N 1 2 333.501 3.053 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[N@H+](Cc2cscn2)CC1(C)C ZINC001755138686 1440759442 /nfs/dbraw/zinc/75/94/42/1440759442.db2.gz CESGLHFWUUWDPN-MRXNPFEDSA-N 1 2 333.501 3.053 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[N@@H+](Cc2nc(C3CCC3)no2)CC1(C)C ZINC001755140282 1440760111 /nfs/dbraw/zinc/76/01/11/1440760111.db2.gz VWJXKADDIOIPKE-OAHLLOKOSA-N 1 2 346.475 3.020 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[N@H+](Cc2nc(C3CCC3)no2)CC1(C)C ZINC001755140282 1440760112 /nfs/dbraw/zinc/76/01/12/1440760112.db2.gz VWJXKADDIOIPKE-OAHLLOKOSA-N 1 2 346.475 3.020 20 30 EGEDLO C[C@H](CNC(=O)CC#Cc1ccccc1)[N@H+](C)CC=C(Cl)Cl ZINC001755327862 1440822662 /nfs/dbraw/zinc/82/26/62/1440822662.db2.gz MCSPYENAMJWNSZ-CQSZACIVSA-N 1 2 339.266 3.184 20 30 EGEDLO C[C@H](CNC(=O)CC#Cc1ccccc1)[N@@H+](C)CC=C(Cl)Cl ZINC001755327862 1440822663 /nfs/dbraw/zinc/82/26/63/1440822663.db2.gz MCSPYENAMJWNSZ-CQSZACIVSA-N 1 2 339.266 3.184 20 30 EGEDLO CCc1nc(C[N@@H+]2CCCCC[C@@H]2CNC(=O)C#CC(C)C)cs1 ZINC001755364601 1440833667 /nfs/dbraw/zinc/83/36/67/1440833667.db2.gz WRSVJNATURINAB-QGZVFWFLSA-N 1 2 347.528 3.226 20 30 EGEDLO CCc1nc(C[N@H+]2CCCCC[C@@H]2CNC(=O)C#CC(C)C)cs1 ZINC001755364601 1440833668 /nfs/dbraw/zinc/83/36/68/1440833668.db2.gz WRSVJNATURINAB-QGZVFWFLSA-N 1 2 347.528 3.226 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H]2CCCCC[N@@H+]2Cc2nccs2)C1 ZINC001755369079 1440836599 /nfs/dbraw/zinc/83/65/99/1440836599.db2.gz TVGNALAVLKQODF-OAHLLOKOSA-N 1 2 333.501 3.360 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H]2CCCCC[N@H+]2Cc2nccs2)C1 ZINC001755369079 1440836600 /nfs/dbraw/zinc/83/66/00/1440836600.db2.gz TVGNALAVLKQODF-OAHLLOKOSA-N 1 2 333.501 3.360 20 30 EGEDLO C=C/C(C)=C/CC(=O)N[C@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001755384211 1440840135 /nfs/dbraw/zinc/84/01/35/1440840135.db2.gz MZNKDWRHHMJFBA-ZXZGFYSFSA-N 1 2 341.430 3.156 20 30 EGEDLO C[C@H](NC(=O)CC1CCC1)C1C[NH+](CC#Cc2ccccc2Cl)C1 ZINC001755385182 1440840486 /nfs/dbraw/zinc/84/04/86/1440840486.db2.gz SPLCXRUSXBCHRU-HNNXBMFYSA-N 1 2 344.886 3.318 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1C[N@@H+](Cc2cccc(F)c2F)CC1(C)C ZINC001755404572 1440843780 /nfs/dbraw/zinc/84/37/80/1440843780.db2.gz DXBYPORLHORPNT-KRWDZBQOSA-N 1 2 348.437 3.485 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1C[N@H+](Cc2cccc(F)c2F)CC1(C)C ZINC001755404572 1440843781 /nfs/dbraw/zinc/84/37/81/1440843781.db2.gz DXBYPORLHORPNT-KRWDZBQOSA-N 1 2 348.437 3.485 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C[C@H](C)[NH2+][C@@H](C)c2nnc(CC(C)C)o2)C1 ZINC001755603438 1440884738 /nfs/dbraw/zinc/88/47/38/1440884738.db2.gz BAEKULDDGLCGIW-GJZGRUSLSA-N 1 2 348.491 3.122 20 30 EGEDLO C=CCC(CC=C)C(=O)N1C[C@H]([NH2+]Cc2nnc(C(C)C)o2)C[C@@H]1C ZINC001755677476 1440894887 /nfs/dbraw/zinc/89/48/87/1440894887.db2.gz YHMJFPHIQABAAN-GOEBONIOSA-N 1 2 346.475 3.040 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1ncc(C)cn1)CC2 ZINC001755701191 1440900150 /nfs/dbraw/zinc/90/01/50/1440900150.db2.gz JCRIHLMBQKOCAZ-JXFKEZNVSA-N 1 2 342.487 3.001 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1ncc(C)cn1)CC2 ZINC001755701191 1440900151 /nfs/dbraw/zinc/90/01/51/1440900151.db2.gz JCRIHLMBQKOCAZ-JXFKEZNVSA-N 1 2 342.487 3.001 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)c1ccc(OC)c(F)c1)C(C)C ZINC001755812685 1440921251 /nfs/dbraw/zinc/92/12/51/1440921251.db2.gz CRUXZQZFNPHNCZ-UHFFFAOYSA-N 1 2 342.842 3.369 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)c1ccc(OC)c(F)c1)C(C)C ZINC001755812685 1440921252 /nfs/dbraw/zinc/92/12/52/1440921252.db2.gz CRUXZQZFNPHNCZ-UHFFFAOYSA-N 1 2 342.842 3.369 20 30 EGEDLO COCCOc1ccc(C#N)cc1NCc1cn2cc(C)ccc2[nH+]1 ZINC000181909277 234376915 /nfs/dbraw/zinc/37/69/15/234376915.db2.gz FVRVKHWIKAZMQI-UHFFFAOYSA-N 1 2 336.395 3.152 20 30 EGEDLO COC[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(C)o1 ZINC000184698658 235467867 /nfs/dbraw/zinc/46/78/67/235467867.db2.gz JNWWOTWEQJIVID-OAHLLOKOSA-N 1 2 347.802 3.029 20 30 EGEDLO N#Cc1c(CNc2ccccc2C[NH+]2CCOCC2)cn2ccccc12 ZINC000193431162 240163152 /nfs/dbraw/zinc/16/31/52/240163152.db2.gz GGTDSPHRGIYGQS-UHFFFAOYSA-N 1 2 346.434 3.255 20 30 EGEDLO C[C@H]1CN(c2ccc(CNc3ccc(Cl)cc3C#N)c[nH+]2)CCO1 ZINC000264101313 246063626 /nfs/dbraw/zinc/06/36/26/246063626.db2.gz KXVJKSRTVSVAEC-ZDUSSCGKSA-N 1 2 342.830 3.444 20 30 EGEDLO C[C@@H]1CN(c2ccc(CNc3ccc(Cl)cc3C#N)c[nH+]2)CCO1 ZINC000264101307 246065244 /nfs/dbraw/zinc/06/52/44/246065244.db2.gz KXVJKSRTVSVAEC-CYBMUJFWSA-N 1 2 342.830 3.444 20 30 EGEDLO CCc1[nH+]c2ccccc2n1Cc1noc(Cc2ccc(C#N)cc2)n1 ZINC000445385549 269680727 /nfs/dbraw/zinc/68/07/27/269680727.db2.gz PNOKFKZQYJLMFM-UHFFFAOYSA-N 1 2 343.390 3.492 20 30 EGEDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000267400845 251023677 /nfs/dbraw/zinc/02/36/77/251023677.db2.gz PKUZSNRYAJLSEX-CYBMUJFWSA-N 1 2 328.366 3.115 20 30 EGEDLO Cc1cc[nH+]c(C)c1NC(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC000344508508 141166351 /nfs/dbraw/zinc/16/63/51/141166351.db2.gz YRCQGSKFKRWJDV-UHFFFAOYSA-N 1 2 338.411 3.251 20 30 EGEDLO COc1ccc(CN2CCc3c([nH+]cn3-c3ccccc3)C2)cc1C#N ZINC000351066590 144254664 /nfs/dbraw/zinc/25/46/64/144254664.db2.gz SZWCJUBWNPLVEN-UHFFFAOYSA-N 1 2 344.418 3.311 20 30 EGEDLO C[C@H]1C[N@H+](CCOc2cccc(C#N)c2)C[C@H](c2ccsc2)O1 ZINC000120898793 152308364 /nfs/dbraw/zinc/30/83/64/152308364.db2.gz JICWARXBAKKIKJ-KBXCAEBGSA-N 1 2 328.437 3.461 20 30 EGEDLO C[C@H]1C[N@@H+](CCOc2cccc(C#N)c2)C[C@H](c2ccsc2)O1 ZINC000120898793 152308366 /nfs/dbraw/zinc/30/83/66/152308366.db2.gz JICWARXBAKKIKJ-KBXCAEBGSA-N 1 2 328.437 3.461 20 30 EGEDLO Cc1ccc([C@@H](CNc2cc(C)nc(C#N)c2)[NH+]2CCOCC2)cc1 ZINC000341556632 155352444 /nfs/dbraw/zinc/35/24/44/155352444.db2.gz MJAWMSPWXVUVSU-HXUWFJFHSA-N 1 2 336.439 3.056 20 30 EGEDLO CCN(C)c1ccc(CNc2cc(C#N)ccc2OCCOC)c[nH+]1 ZINC000191589421 153209961 /nfs/dbraw/zinc/20/99/61/153209961.db2.gz GKLOYBJZULQRGX-UHFFFAOYSA-N 1 2 340.427 3.047 20 30 EGEDLO N#Cc1ccc(C2=CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)cc1 ZINC000365252240 157102954 /nfs/dbraw/zinc/10/29/54/157102954.db2.gz VHUFPCHCWRDQEH-UHFFFAOYSA-N 1 2 331.423 3.242 20 30 EGEDLO N#Cc1ccc(C2=CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)cc1 ZINC000365252240 157102955 /nfs/dbraw/zinc/10/29/55/157102955.db2.gz VHUFPCHCWRDQEH-UHFFFAOYSA-N 1 2 331.423 3.242 20 30 EGEDLO CC(C)CCc1noc(C[N@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344133752 164111624 /nfs/dbraw/zinc/11/16/24/164111624.db2.gz XXOVGVJCFCRLQC-UHFFFAOYSA-N 1 2 342.443 3.178 20 30 EGEDLO CC(C)CCc1noc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344133752 164111626 /nfs/dbraw/zinc/11/16/26/164111626.db2.gz XXOVGVJCFCRLQC-UHFFFAOYSA-N 1 2 342.443 3.178 20 30 EGEDLO C[C@@H]1CCC[C@H](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000346062174 164328694 /nfs/dbraw/zinc/32/86/94/164328694.db2.gz XOKZHXTXLIAAPR-XLIONFOSSA-N 1 2 339.483 3.419 20 30 EGEDLO N#Cc1ccc([C@H]([NH2+][C@@H]2CCc3sc(Cl)cc32)C(N)=O)cc1 ZINC000357281491 166634757 /nfs/dbraw/zinc/63/47/57/166634757.db2.gz GDIALMRRDJDJPC-DOMZBBRYSA-N 1 2 331.828 3.077 20 30 EGEDLO Cc1ccnc(OC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)c1 ZINC000360213879 167272810 /nfs/dbraw/zinc/27/28/10/167272810.db2.gz SCGYQEGSSPVXDR-UHFFFAOYSA-N 1 2 325.387 3.444 20 30 EGEDLO CC(C)c1nc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000366426187 168119189 /nfs/dbraw/zinc/11/91/89/168119189.db2.gz YDZRXPJSKGSRHI-HNNXBMFYSA-N 1 2 328.441 3.186 20 30 EGEDLO CC(C)c1nc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000366426187 168119192 /nfs/dbraw/zinc/11/91/92/168119192.db2.gz YDZRXPJSKGSRHI-HNNXBMFYSA-N 1 2 328.441 3.186 20 30 EGEDLO N#Cc1cc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cnc1C(F)(F)F ZINC000293056670 270042398 /nfs/dbraw/zinc/04/23/98/270042398.db2.gz RXXAGOHWAOHRNB-GFCCVEGCSA-N 1 2 349.316 3.063 20 30 EGEDLO N#Cc1ccc(/C=C\c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000445817328 270052324 /nfs/dbraw/zinc/05/23/24/270052324.db2.gz DBOBYRSNWNLTKM-MGSINWNPSA-N 1 2 336.395 3.037 20 30 EGEDLO N#Cc1ccc(/C=C\c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000445817328 270052325 /nfs/dbraw/zinc/05/23/25/270052325.db2.gz DBOBYRSNWNLTKM-MGSINWNPSA-N 1 2 336.395 3.037 20 30 EGEDLO N#Cc1ccc(/C=C/C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000491236348 270057796 /nfs/dbraw/zinc/05/77/96/270057796.db2.gz ICMVUTIPNJXFCK-SOFGYWHQSA-N 1 2 346.365 3.213 20 30 EGEDLO CC(C)[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccccn1 ZINC000533242988 270060716 /nfs/dbraw/zinc/06/07/16/270060716.db2.gz PAIVKUIRPSEERZ-UHFFFAOYSA-N 1 2 342.830 3.456 20 30 EGEDLO CC(C)[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccccn1 ZINC000533242988 270060717 /nfs/dbraw/zinc/06/07/17/270060717.db2.gz PAIVKUIRPSEERZ-UHFFFAOYSA-N 1 2 342.830 3.456 20 30 EGEDLO C[C@@H](c1cccs1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000267049984 267005313 /nfs/dbraw/zinc/00/53/13/267005313.db2.gz FZPLJLBTABGVSR-ZDUSSCGKSA-N 1 2 334.466 3.086 20 30 EGEDLO C[C@@H](c1cccs1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000267049984 267005317 /nfs/dbraw/zinc/00/53/17/267005317.db2.gz FZPLJLBTABGVSR-ZDUSSCGKSA-N 1 2 334.466 3.086 20 30 EGEDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH+]1Cc1cc(C#N)ccc1F ZINC000292418448 267036358 /nfs/dbraw/zinc/03/63/58/267036358.db2.gz VCEIALLJCICQQQ-ZIAGYGMSSA-N 1 2 331.435 3.165 20 30 EGEDLO Cc1cc(N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nc(C2CC2)[nH+]1 ZINC000272544567 267349742 /nfs/dbraw/zinc/34/97/42/267349742.db2.gz SICJFMWOYIGLMS-QGZVFWFLSA-N 1 2 347.422 3.142 20 30 EGEDLO Cc1nsc(N2CC[NH+](Cc3cccc(C)c3F)CC2)c1C#N ZINC000449339254 268102713 /nfs/dbraw/zinc/10/27/13/268102713.db2.gz TXEFDLISKRUYQW-UHFFFAOYSA-N 1 2 330.432 3.093 20 30 EGEDLO N#Cc1ccc(NC[C@H](c2ccc(F)cc2)[NH+]2CCOCC2)cc1 ZINC000301067776 268156583 /nfs/dbraw/zinc/15/65/83/268156583.db2.gz KPLABPSXSOPZNI-LJQANCHMSA-N 1 2 325.387 3.183 20 30 EGEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccco3)CC2)c(OC(F)F)c1 ZINC000437424974 268220648 /nfs/dbraw/zinc/22/06/48/268220648.db2.gz HOFLVHGIYXKVIC-UHFFFAOYSA-N 1 2 347.365 3.070 20 30 EGEDLO N#Cc1cccc(C#N)c1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000302906464 268235334 /nfs/dbraw/zinc/23/53/34/268235334.db2.gz WXFJLSIFNZQJLI-UHFFFAOYSA-N 1 2 336.826 3.406 20 30 EGEDLO N#Cc1cccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278882102 268236198 /nfs/dbraw/zinc/23/61/98/268236198.db2.gz DBDCIVRCWAVBDI-UHFFFAOYSA-N 1 2 334.423 3.111 20 30 EGEDLO N#Cc1ncc(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1Cl ZINC000455778045 268322190 /nfs/dbraw/zinc/32/21/90/268322190.db2.gz GIRWYGSFSBYEQB-CYBMUJFWSA-N 1 2 330.779 3.089 20 30 EGEDLO CC[N@H+](Cc1nnnn1-c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000042741047 275127011 /nfs/dbraw/zinc/12/70/11/275127011.db2.gz REWMGUQWNNXEHG-OAHLLOKOSA-N 1 2 332.411 3.117 20 30 EGEDLO CC[N@@H+](Cc1nnnn1-c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000042741047 275127012 /nfs/dbraw/zinc/12/70/12/275127012.db2.gz REWMGUQWNNXEHG-OAHLLOKOSA-N 1 2 332.411 3.117 20 30 EGEDLO Cn1cc([C@H]2CSCC[N@@H+]2Cc2ccc(C#N)cc2Cl)cn1 ZINC000362126919 294303727 /nfs/dbraw/zinc/30/37/27/294303727.db2.gz WLHFVBYTGMNUDY-MRXNPFEDSA-N 1 2 332.860 3.235 20 30 EGEDLO Cn1cc([C@H]2CSCC[N@H+]2Cc2ccc(C#N)cc2Cl)cn1 ZINC000362126919 294303730 /nfs/dbraw/zinc/30/37/30/294303730.db2.gz WLHFVBYTGMNUDY-MRXNPFEDSA-N 1 2 332.860 3.235 20 30 EGEDLO C=CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccc(Cl)s1 ZINC000008164382 453170201 /nfs/dbraw/zinc/17/02/01/453170201.db2.gz QVCFELWYKNSLOX-INIZCTEOSA-N 1 2 339.892 3.444 20 30 EGEDLO N#CCCC[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000051915162 454640703 /nfs/dbraw/zinc/64/07/03/454640703.db2.gz FHCMFLRQPYYGSR-UHFFFAOYSA-N 1 2 326.227 3.055 20 30 EGEDLO C[C@@H]1C[NH+](CCSc2nc(C(F)(F)F)ccc2C#N)C[C@@H](C)O1 ZINC000563439505 316022294 /nfs/dbraw/zinc/02/22/94/316022294.db2.gz LVSKCXLHFOXVAZ-GHMZBOCLSA-N 1 2 345.390 3.173 20 30 EGEDLO C[C@H](NC(=O)Cc1c[nH+]cn1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000569374655 316905369 /nfs/dbraw/zinc/90/53/69/316905369.db2.gz JAUQTEFDDGRTGC-HNNXBMFYSA-N 1 2 344.418 3.379 20 30 EGEDLO Cc1cccn2cc(CC(=O)N(C)[C@@H](C)c3cccc(C#N)c3)[nH+]c12 ZINC000580888501 325305871 /nfs/dbraw/zinc/30/58/71/325305871.db2.gz MDCKXNCXBPUFDO-HNNXBMFYSA-N 1 2 332.407 3.277 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000264544167 455233836 /nfs/dbraw/zinc/23/38/36/455233836.db2.gz NMSYEPPPNVXNFO-KGLIPLIRSA-N 1 2 343.456 3.345 20 30 EGEDLO CCc1cc(NS(=O)(=O)c2ccc(C#N)cc2)c2ccccc2[nH+]1 ZINC000180765627 455241400 /nfs/dbraw/zinc/24/14/00/455241400.db2.gz NALMXMDAFGNJDW-UHFFFAOYSA-N 1 2 337.404 3.470 20 30 EGEDLO N#Cc1ccc(Cl)cc1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000264678944 455261465 /nfs/dbraw/zinc/26/14/65/455261465.db2.gz WNHQYDGPMVBJLP-UHFFFAOYSA-N 1 2 328.803 3.055 20 30 EGEDLO CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000264734924 455272165 /nfs/dbraw/zinc/27/21/65/455272165.db2.gz OBEVBXYQXJKPEV-AWEZNQCLSA-N 1 2 339.399 3.092 20 30 EGEDLO C[C@]1(C#N)CCC[N@@H+]([C@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000612167171 460559406 /nfs/dbraw/zinc/55/94/06/460559406.db2.gz VINFPXZTXFNJQM-AZUAARDMSA-N 1 2 325.456 3.366 20 30 EGEDLO C[C@]1(C#N)CCC[N@H+]([C@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000612167171 460559409 /nfs/dbraw/zinc/55/94/09/460559409.db2.gz VINFPXZTXFNJQM-AZUAARDMSA-N 1 2 325.456 3.366 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000190511322 455336015 /nfs/dbraw/zinc/33/60/15/455336015.db2.gz GUGYSVXWPQJHPH-AZUAARDMSA-N 1 2 330.472 3.087 20 30 EGEDLO C=CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccc(Cl)s1 ZINC000008164382 453170193 /nfs/dbraw/zinc/17/01/93/453170193.db2.gz QVCFELWYKNSLOX-INIZCTEOSA-N 1 2 339.892 3.444 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000014116086 453506555 /nfs/dbraw/zinc/50/65/55/453506555.db2.gz YLQGQUFKZHOZRA-LLVKDONJSA-N 1 2 345.752 3.424 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000014116086 453506562 /nfs/dbraw/zinc/50/65/62/453506562.db2.gz YLQGQUFKZHOZRA-LLVKDONJSA-N 1 2 345.752 3.424 20 30 EGEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000015698708 453583384 /nfs/dbraw/zinc/58/33/84/453583384.db2.gz ISJUQILBCRVDPE-UHFFFAOYSA-N 1 2 339.826 3.170 20 30 EGEDLO Cc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000018175760 453645976 /nfs/dbraw/zinc/64/59/76/453645976.db2.gz HLJSENCZPUZVSY-UHFFFAOYSA-N 1 2 334.423 3.216 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(OC)c(OC)c1)Cc1cccs1 ZINC000019540451 453657178 /nfs/dbraw/zinc/65/71/78/453657178.db2.gz XAZWOLLPNKNQIX-UHFFFAOYSA-N 1 2 346.452 3.392 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccc(OC)c(OC)c1)Cc1cccs1 ZINC000019540451 453657181 /nfs/dbraw/zinc/65/71/81/453657181.db2.gz XAZWOLLPNKNQIX-UHFFFAOYSA-N 1 2 346.452 3.392 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(OC)cc1OC)Cc1ccccc1 ZINC000027775643 453820518 /nfs/dbraw/zinc/82/05/18/453820518.db2.gz YWPSFEMHWAJCIE-UHFFFAOYSA-N 1 2 340.423 3.331 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccc(OC)cc1OC)Cc1ccccc1 ZINC000027775643 453820519 /nfs/dbraw/zinc/82/05/19/453820519.db2.gz YWPSFEMHWAJCIE-UHFFFAOYSA-N 1 2 340.423 3.331 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000054006391 453904840 /nfs/dbraw/zinc/90/48/40/453904840.db2.gz NGIILIOGUFDBNG-QGZVFWFLSA-N 1 2 349.369 3.342 20 30 EGEDLO C#CC[NH+]1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000034440896 453919596 /nfs/dbraw/zinc/91/95/96/453919596.db2.gz SZSBHTZKZSGFNI-UHFFFAOYSA-N 1 2 334.463 3.043 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCOc1ccccc1C ZINC000083132358 453939507 /nfs/dbraw/zinc/93/95/07/453939507.db2.gz JSEZSQUUPLUYSG-IBGZPJMESA-N 1 2 338.407 3.092 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCOc1ccccc1C ZINC000083132358 453939511 /nfs/dbraw/zinc/93/95/11/453939511.db2.gz JSEZSQUUPLUYSG-IBGZPJMESA-N 1 2 338.407 3.092 20 30 EGEDLO C=CC[N@@H+](CCS(=O)(=O)c1ccccc1)Cc1ccc(OC)cc1 ZINC000056291290 454049085 /nfs/dbraw/zinc/04/90/85/454049085.db2.gz KAKGIYSGDZEPOX-UHFFFAOYSA-N 1 2 345.464 3.157 20 30 EGEDLO C=CC[N@H+](CCS(=O)(=O)c1ccccc1)Cc1ccc(OC)cc1 ZINC000056291290 454049089 /nfs/dbraw/zinc/04/90/89/454049089.db2.gz KAKGIYSGDZEPOX-UHFFFAOYSA-N 1 2 345.464 3.157 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000043644567 454071757 /nfs/dbraw/zinc/07/17/57/454071757.db2.gz NSOLDTRQDUFGCW-UHFFFAOYSA-N 1 2 342.361 3.218 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000043644567 454071760 /nfs/dbraw/zinc/07/17/60/454071760.db2.gz NSOLDTRQDUFGCW-UHFFFAOYSA-N 1 2 342.361 3.218 20 30 EGEDLO N#Cc1cc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)ccc1F ZINC000077499736 454113852 /nfs/dbraw/zinc/11/38/52/454113852.db2.gz VLZUCXHHAXVWNL-UHFFFAOYSA-N 1 2 339.374 3.014 20 30 EGEDLO N#Cc1cc(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)ccc1F ZINC000077497975 454113982 /nfs/dbraw/zinc/11/39/82/454113982.db2.gz KRZVECRQCLNEDR-UHFFFAOYSA-N 1 2 339.374 3.014 20 30 EGEDLO N#Cc1cc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)ccc1F ZINC000077497854 454114093 /nfs/dbraw/zinc/11/40/93/454114093.db2.gz OCKCRMZAPXJSOD-UHFFFAOYSA-N 1 2 349.369 3.264 20 30 EGEDLO N#CCCN(Cc1ccco1)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000069559883 454118577 /nfs/dbraw/zinc/11/85/77/454118577.db2.gz YLUQQYYLQDCYJH-RMKNXTFCSA-N 1 2 346.390 3.421 20 30 EGEDLO C[C@H]1CCCC[C@H]1OCCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000058575388 454217424 /nfs/dbraw/zinc/21/74/24/454217424.db2.gz LSKLMKCQUPRAOS-GHTZIAJQSA-N 1 2 341.499 3.271 20 30 EGEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cccc(C#N)c2)C[C@H](C)O1 ZINC000046340972 454241381 /nfs/dbraw/zinc/24/13/81/454241381.db2.gz GZBJYVPZWZSXLK-HOTGVXAUSA-N 1 2 349.434 3.420 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000131268368 454243349 /nfs/dbraw/zinc/24/33/49/454243349.db2.gz PWQNSIGEOVRQGL-UHFFFAOYSA-N 1 2 333.501 3.254 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000131268368 454243352 /nfs/dbraw/zinc/24/33/52/454243352.db2.gz PWQNSIGEOVRQGL-UHFFFAOYSA-N 1 2 333.501 3.254 20 30 EGEDLO N#Cc1cc(F)ccc1NC[C@@H](c1cccc(F)c1)[NH+]1CCOCC1 ZINC000078601811 454284701 /nfs/dbraw/zinc/28/47/01/454284701.db2.gz XHWBPIIWCUUTOL-IBGZPJMESA-N 1 2 343.377 3.322 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)NCCCNc1cccc[nH+]1 ZINC000046945136 454304484 /nfs/dbraw/zinc/30/44/84/454304484.db2.gz IIASDCLEQZPWOG-UHFFFAOYSA-N 1 2 330.457 3.343 20 30 EGEDLO N#C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1cccc(Cl)c1Cl ZINC000132274088 454326431 /nfs/dbraw/zinc/32/64/31/454326431.db2.gz XRHFBIIZBJKHCD-YGRLFVJLSA-N 1 2 349.221 3.133 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c1C#N ZINC000091073023 454376628 /nfs/dbraw/zinc/37/66/28/454376628.db2.gz JUWXUHJZYNGFKV-INIZCTEOSA-N 1 2 346.438 3.155 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1C#N ZINC000091073023 454376632 /nfs/dbraw/zinc/37/66/32/454376632.db2.gz JUWXUHJZYNGFKV-INIZCTEOSA-N 1 2 346.438 3.155 20 30 EGEDLO N#Cc1cc([N+](=O)[O-])ccc1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000063254593 454398397 /nfs/dbraw/zinc/39/83/97/454398397.db2.gz HMPKHWDQQUYPNO-UHFFFAOYSA-N 1 2 337.314 3.403 20 30 EGEDLO N#CCCN(C(=O)C[N@H+]1CCc2ccc(F)cc2C1)c1ccccc1 ZINC000133952408 454486815 /nfs/dbraw/zinc/48/68/15/454486815.db2.gz LMUATAMWKSHYMW-UHFFFAOYSA-N 1 2 337.398 3.131 20 30 EGEDLO N#CCCN(C(=O)C[N@@H+]1CCc2ccc(F)cc2C1)c1ccccc1 ZINC000133952408 454486819 /nfs/dbraw/zinc/48/68/19/454486819.db2.gz LMUATAMWKSHYMW-UHFFFAOYSA-N 1 2 337.398 3.131 20 30 EGEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000191119788 455446811 /nfs/dbraw/zinc/44/68/11/455446811.db2.gz IPYUOQMFTFYVQB-LLVKDONJSA-N 1 2 331.243 3.455 20 30 EGEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000191119788 455446818 /nfs/dbraw/zinc/44/68/18/455446818.db2.gz IPYUOQMFTFYVQB-LLVKDONJSA-N 1 2 331.243 3.455 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc(CC#N)c1)c1ccccc1 ZINC000049612712 454552930 /nfs/dbraw/zinc/55/29/30/454552930.db2.gz WAPNUJBFELXKKV-SFHVURJKSA-N 1 2 330.391 3.006 20 30 EGEDLO C=CC[N@@H+](Cc1ccc2cc(OC)ccc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361064 454556104 /nfs/dbraw/zinc/55/61/04/454556104.db2.gz YDEVMZCSEWTBRQ-GOSISDBHSA-N 1 2 345.464 3.024 20 30 EGEDLO C=CC[N@H+](Cc1ccc2cc(OC)ccc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361064 454556107 /nfs/dbraw/zinc/55/61/07/454556107.db2.gz YDEVMZCSEWTBRQ-GOSISDBHSA-N 1 2 345.464 3.024 20 30 EGEDLO C=CC[N@H+](Cc1ccc(-c2ccccc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000092360951 454556179 /nfs/dbraw/zinc/55/61/79/454556179.db2.gz PYSQUUQONBTMJO-MRXNPFEDSA-N 1 2 331.437 3.122 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(-c2ccccc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000092360951 454556184 /nfs/dbraw/zinc/55/61/84/454556184.db2.gz PYSQUUQONBTMJO-MRXNPFEDSA-N 1 2 331.437 3.122 20 30 EGEDLO CCC[N@@H+](CC#N)CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000103469505 454558289 /nfs/dbraw/zinc/55/82/89/454558289.db2.gz LCIOWJSYZWRPHN-UHFFFAOYSA-N 1 2 339.443 3.053 20 30 EGEDLO CCC[N@H+](CC#N)CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000103469505 454558296 /nfs/dbraw/zinc/55/82/96/454558296.db2.gz LCIOWJSYZWRPHN-UHFFFAOYSA-N 1 2 339.443 3.053 20 30 EGEDLO COc1cc(OC)c(OC)cc1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000122848635 454575325 /nfs/dbraw/zinc/57/53/25/454575325.db2.gz BDBAMHZFMPPVGZ-UHFFFAOYSA-N 1 2 344.386 3.355 20 30 EGEDLO COc1cc(OC)c(OC)cc1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000122848635 454575330 /nfs/dbraw/zinc/57/53/30/454575330.db2.gz BDBAMHZFMPPVGZ-UHFFFAOYSA-N 1 2 344.386 3.355 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000104667153 454593570 /nfs/dbraw/zinc/59/35/70/454593570.db2.gz IRXOWCPKCZUNEP-NRFANRHFSA-N 1 2 337.467 3.318 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000104667153 454593575 /nfs/dbraw/zinc/59/35/75/454593575.db2.gz IRXOWCPKCZUNEP-NRFANRHFSA-N 1 2 337.467 3.318 20 30 EGEDLO C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000065911423 454639103 /nfs/dbraw/zinc/63/91/03/454639103.db2.gz CJBBMPWEQJVJGS-UHFFFAOYSA-N 1 2 347.393 3.346 20 30 EGEDLO COCC[N@H+](CCC#N)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000093100165 454682100 /nfs/dbraw/zinc/68/21/00/454682100.db2.gz RZGQJCZUYNYURV-UHFFFAOYSA-N 1 2 349.434 3.499 20 30 EGEDLO COCC[N@@H+](CCC#N)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000093100165 454682103 /nfs/dbraw/zinc/68/21/03/454682103.db2.gz RZGQJCZUYNYURV-UHFFFAOYSA-N 1 2 349.434 3.499 20 30 EGEDLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)NC2(C#N)CCCCC2)s1 ZINC000106875707 454726870 /nfs/dbraw/zinc/72/68/70/454726870.db2.gz QRYHSLFNTWBJSE-ZDUSSCGKSA-N 1 2 334.489 3.095 20 30 EGEDLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)NC2(C#N)CCCCC2)s1 ZINC000106875707 454726878 /nfs/dbraw/zinc/72/68/78/454726878.db2.gz QRYHSLFNTWBJSE-ZDUSSCGKSA-N 1 2 334.489 3.095 20 30 EGEDLO C=C(C)COc1cc(C[N@@H+]2CCC[C@H]2c2nncn2C)ccc1OC ZINC000093810508 454736797 /nfs/dbraw/zinc/73/67/97/454736797.db2.gz WAEVSVKQHSHJGJ-INIZCTEOSA-N 1 2 342.443 3.116 20 30 EGEDLO C=C(C)COc1cc(C[N@H+]2CCC[C@H]2c2nncn2C)ccc1OC ZINC000093810508 454736802 /nfs/dbraw/zinc/73/68/02/454736802.db2.gz WAEVSVKQHSHJGJ-INIZCTEOSA-N 1 2 342.443 3.116 20 30 EGEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000153629317 454814620 /nfs/dbraw/zinc/81/46/20/454814620.db2.gz JIBNEZMESQDAIW-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO CC[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@H](C)O1 ZINC000111275993 454860401 /nfs/dbraw/zinc/86/04/01/454860401.db2.gz YSZTYVPIUWNSBD-PKOBYXMFSA-N 1 2 343.471 3.049 20 30 EGEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@H](C)O1 ZINC000111275993 454860405 /nfs/dbraw/zinc/86/04/05/454860405.db2.gz YSZTYVPIUWNSBD-PKOBYXMFSA-N 1 2 343.471 3.049 20 30 EGEDLO C=CCc1cc(C[NH2+]C2(c3noc(C)n3)CCCC2)cc(OC)c1O ZINC000113331995 454922854 /nfs/dbraw/zinc/92/28/54/454922854.db2.gz SODASPHVTZXEKV-UHFFFAOYSA-N 1 2 343.427 3.380 20 30 EGEDLO C=C(C)C[N@@H+](CC)Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000114712600 454971683 /nfs/dbraw/zinc/97/16/83/454971683.db2.gz NGRMXPCYDQZTGN-UHFFFAOYSA-N 1 2 338.452 3.227 20 30 EGEDLO C=C(C)C[N@H+](CC)Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000114712600 454971687 /nfs/dbraw/zinc/97/16/87/454971687.db2.gz NGRMXPCYDQZTGN-UHFFFAOYSA-N 1 2 338.452 3.227 20 30 EGEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000155315873 454986722 /nfs/dbraw/zinc/98/67/22/454986722.db2.gz QMKCVHQCIZUZLT-SWLSCSKDSA-N 1 2 339.361 3.292 20 30 EGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000155315873 454986725 /nfs/dbraw/zinc/98/67/25/454986725.db2.gz QMKCVHQCIZUZLT-SWLSCSKDSA-N 1 2 339.361 3.292 20 30 EGEDLO N#Cc1ccc(C(F)(F)F)nc1N1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000115516605 455019029 /nfs/dbraw/zinc/01/90/29/455019029.db2.gz ZYKIXCFNHDCEKZ-GFCCVEGCSA-N 1 2 347.344 3.305 20 30 EGEDLO CC[N@@H+](Cc1cc(Br)c2c(c1)OCCO2)C[C@H](C)C#N ZINC000179816997 455083926 /nfs/dbraw/zinc/08/39/26/455083926.db2.gz OLDAQNLHBHXZDU-LLVKDONJSA-N 1 2 339.233 3.202 20 30 EGEDLO CC[N@H+](Cc1cc(Br)c2c(c1)OCCO2)C[C@H](C)C#N ZINC000179816997 455083929 /nfs/dbraw/zinc/08/39/29/455083929.db2.gz OLDAQNLHBHXZDU-LLVKDONJSA-N 1 2 339.233 3.202 20 30 EGEDLO N#Cc1csc(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000128920565 455091436 /nfs/dbraw/zinc/09/14/36/455091436.db2.gz FWWIVGJYTDNFNP-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO N#Cc1csc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000128920565 455091440 /nfs/dbraw/zinc/09/14/40/455091440.db2.gz FWWIVGJYTDNFNP-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO N#Cc1csc(C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)c1 ZINC000128944269 455091983 /nfs/dbraw/zinc/09/19/83/455091983.db2.gz DCADNIHHKVZZRJ-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO N#Cc1csc(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)c1 ZINC000128944269 455091986 /nfs/dbraw/zinc/09/19/86/455091986.db2.gz DCADNIHHKVZZRJ-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000152396365 455112953 /nfs/dbraw/zinc/11/29/53/455112953.db2.gz DEUQPXVWDVSSTB-KGLIPLIRSA-N 1 2 340.452 3.478 20 30 EGEDLO C#CCCCCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000152416280 455115997 /nfs/dbraw/zinc/11/59/97/455115997.db2.gz OFBDBXLYHAOAFX-IAGOWNOFSA-N 1 2 343.471 3.221 20 30 EGEDLO C/C=C/c1ccc(OC[C@@H](O)C[N@H+](CC#N)C2CCCC2)c(OC)c1 ZINC000156614124 455138499 /nfs/dbraw/zinc/13/84/99/455138499.db2.gz DUWCBOHRQXZSIH-PXPSOEEZSA-N 1 2 344.455 3.236 20 30 EGEDLO C/C=C/c1ccc(OC[C@@H](O)C[N@@H+](CC#N)C2CCCC2)c(OC)c1 ZINC000156614124 455138502 /nfs/dbraw/zinc/13/85/02/455138502.db2.gz DUWCBOHRQXZSIH-PXPSOEEZSA-N 1 2 344.455 3.236 20 30 EGEDLO CC(C)n1ccc(CO[NH+]=C(N)c2cccc(C(F)(F)F)c2)n1 ZINC000172330507 455146324 /nfs/dbraw/zinc/14/63/24/455146324.db2.gz JCQRVDJOSXOFQF-UHFFFAOYSA-N 1 2 326.322 3.320 20 30 EGEDLO N#Cc1cc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c[nH]1 ZINC000180511192 455186388 /nfs/dbraw/zinc/18/63/88/455186388.db2.gz KYLLVVPLUHNZRM-UHFFFAOYSA-N 1 2 331.379 3.338 20 30 EGEDLO COc1ccc(C#N)cc1C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000158597047 455315221 /nfs/dbraw/zinc/31/52/21/455315221.db2.gz CKBLMOVIDIHLCF-OAQYLSRUSA-N 1 2 334.419 3.241 20 30 EGEDLO COc1ccc(C#N)cc1C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000158597047 455315225 /nfs/dbraw/zinc/31/52/25/455315225.db2.gz CKBLMOVIDIHLCF-OAQYLSRUSA-N 1 2 334.419 3.241 20 30 EGEDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000265507037 455335741 /nfs/dbraw/zinc/33/57/41/455335741.db2.gz JLRLCQNJXBPDCD-ZDUSSCGKSA-N 1 2 328.366 3.115 20 30 EGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000190558855 455343740 /nfs/dbraw/zinc/34/37/40/455343740.db2.gz CVIVYQHVZWLPAE-MRXNPFEDSA-N 1 2 343.471 3.211 20 30 EGEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190560937 455344242 /nfs/dbraw/zinc/34/42/42/455344242.db2.gz NHTSDKJSWVPPIA-UHFFFAOYSA-N 1 2 329.350 3.275 20 30 EGEDLO N#CC[N@@H+](C[C@H](O)COc1ccccc1C(F)(F)F)C1CCCC1 ZINC000181901373 455396968 /nfs/dbraw/zinc/39/69/68/455396968.db2.gz ZWCOLWRKZBACQZ-AWEZNQCLSA-N 1 2 342.361 3.213 20 30 EGEDLO N#CC[N@H+](C[C@H](O)COc1ccccc1C(F)(F)F)C1CCCC1 ZINC000181901373 455396973 /nfs/dbraw/zinc/39/69/73/455396973.db2.gz ZWCOLWRKZBACQZ-AWEZNQCLSA-N 1 2 342.361 3.213 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)NCCCCC#N)CC1 ZINC000174726995 455412861 /nfs/dbraw/zinc/41/28/61/455412861.db2.gz ZPKZJTUCHVLDSW-OAHLLOKOSA-N 1 2 348.878 3.422 20 30 EGEDLO N#Cc1ccc(NC[C@H](c2cccc(Cl)c2)[NH+]2CCOCC2)cn1 ZINC000267371812 455548911 /nfs/dbraw/zinc/54/89/11/455548911.db2.gz JYMGDVZSSFZJLG-GOSISDBHSA-N 1 2 342.830 3.092 20 30 EGEDLO CC[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@@H](C)O1 ZINC000247502972 455613191 /nfs/dbraw/zinc/61/31/91/455613191.db2.gz OCGWFSRCOPVRNZ-RHSMWYFYSA-N 1 2 349.862 3.086 20 30 EGEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@@H](C)O1 ZINC000247502972 455613198 /nfs/dbraw/zinc/61/31/98/455613198.db2.gz OCGWFSRCOPVRNZ-RHSMWYFYSA-N 1 2 349.862 3.086 20 30 EGEDLO Cc1ccoc1C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000292455495 455668308 /nfs/dbraw/zinc/66/83/08/455668308.db2.gz YIXFNRKAYPLCGJ-MRXNPFEDSA-N 1 2 325.412 3.355 20 30 EGEDLO Cc1ccoc1C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000292455495 455668315 /nfs/dbraw/zinc/66/83/15/455668315.db2.gz YIXFNRKAYPLCGJ-MRXNPFEDSA-N 1 2 325.412 3.355 20 30 EGEDLO N#Cc1ccc(/C=C/c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000277925278 455711248 /nfs/dbraw/zinc/71/12/48/455711248.db2.gz DBOBYRSNWNLTKM-IBHATUTGSA-N 1 2 336.395 3.037 20 30 EGEDLO N#Cc1ccc(/C=C/c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000277925278 455711254 /nfs/dbraw/zinc/71/12/54/455711254.db2.gz DBOBYRSNWNLTKM-IBHATUTGSA-N 1 2 336.395 3.037 20 30 EGEDLO CC[N@H+](C[C@@H](C)C#N)[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000248671381 455725718 /nfs/dbraw/zinc/72/57/18/455725718.db2.gz BIEVNACYDLKTFU-WFASDCNBSA-N 1 2 339.361 3.292 20 30 EGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000248671381 455725728 /nfs/dbraw/zinc/72/57/28/455725728.db2.gz BIEVNACYDLKTFU-WFASDCNBSA-N 1 2 339.361 3.292 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCO[C@@](C)(CC)C1 ZINC000248986586 455741062 /nfs/dbraw/zinc/74/10/62/455741062.db2.gz WKRRSEJUKFLLIZ-QAPCUYQASA-N 1 2 336.501 3.152 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000248986586 455741066 /nfs/dbraw/zinc/74/10/66/455741066.db2.gz WKRRSEJUKFLLIZ-QAPCUYQASA-N 1 2 336.501 3.152 20 30 EGEDLO Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000193263809 455749888 /nfs/dbraw/zinc/74/98/88/455749888.db2.gz XMAWXIVRKHGLDN-INIZCTEOSA-N 1 2 341.374 3.249 20 30 EGEDLO N#Cc1cc(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)ccc1F ZINC000278988813 455854896 /nfs/dbraw/zinc/85/48/96/455854896.db2.gz ZIBSFVPLPMKXBC-UHFFFAOYSA-N 1 2 338.386 3.013 20 30 EGEDLO C=CCOCCCC(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000279745763 455872037 /nfs/dbraw/zinc/87/20/37/455872037.db2.gz BQPXDKQRLGLECI-UHFFFAOYSA-N 1 2 341.455 3.491 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000279838050 455874556 /nfs/dbraw/zinc/87/45/56/455874556.db2.gz RKJPMZZDYITUAP-HNNXBMFYSA-N 1 2 341.455 3.489 20 30 EGEDLO C=C(Cl)CNC(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270216743 455904606 /nfs/dbraw/zinc/90/46/06/455904606.db2.gz MCLMBOXKOGPZDD-CQSZACIVSA-N 1 2 332.835 3.271 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000195051812 455917513 /nfs/dbraw/zinc/91/75/13/455917513.db2.gz QFCSBUXODHKJHW-KRWDZBQOSA-N 1 2 329.469 3.247 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1ccc(CC#N)cc1 ZINC000270310538 455925980 /nfs/dbraw/zinc/92/59/80/455925980.db2.gz YRTAFOQSLPIYBR-UHFFFAOYSA-N 1 2 332.407 3.231 20 30 EGEDLO CC(=O)c1cccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c1 ZINC000296459889 455944458 /nfs/dbraw/zinc/94/44/58/455944458.db2.gz JGCMANRBGCEQGT-UHFFFAOYSA-N 1 2 337.398 3.222 20 30 EGEDLO C=C(C)[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccc(F)c(F)c1 ZINC000187758589 455948574 /nfs/dbraw/zinc/94/85/74/455948574.db2.gz YQRFSUBRRZKNKL-GOSISDBHSA-N 1 2 341.365 3.348 20 30 EGEDLO CN1CCOc2ccc([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)cc21 ZINC000286197653 455998842 /nfs/dbraw/zinc/99/88/42/455998842.db2.gz RCJGYBHVLSPGGW-UHFFFAOYSA-N 1 2 348.450 3.468 20 30 EGEDLO C=CCCCCCCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000287024315 456059494 /nfs/dbraw/zinc/05/94/94/456059494.db2.gz LMMGAZLPWPKEHH-UHFFFAOYSA-N 1 2 330.472 3.385 20 30 EGEDLO Cc1oc(C#N)cc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000280932184 456087126 /nfs/dbraw/zinc/08/71/26/456087126.db2.gz FNZJBDUCURXZNA-UHFFFAOYSA-N 1 2 338.411 3.012 20 30 EGEDLO CCc1c[nH+]ccc1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000288440444 456095960 /nfs/dbraw/zinc/09/59/60/456095960.db2.gz NFXWHTQFPBEQJK-HNNXBMFYSA-N 1 2 338.386 3.120 20 30 EGEDLO CN(C)c1ccccc1C[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000288776099 456106246 /nfs/dbraw/zinc/10/62/46/456106246.db2.gz IVEDZLXNGMZWEX-UHFFFAOYSA-N 1 2 347.422 3.306 20 30 EGEDLO CN(C)c1ccccc1C[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000288776099 456106249 /nfs/dbraw/zinc/10/62/49/456106249.db2.gz IVEDZLXNGMZWEX-UHFFFAOYSA-N 1 2 347.422 3.306 20 30 EGEDLO Cc1nsc(N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)c1C#N ZINC000289511470 456128558 /nfs/dbraw/zinc/12/85/58/456128558.db2.gz QZAVPLKLTSOYJP-CQSZACIVSA-N 1 2 337.452 3.078 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC(F)(F)[C@@H](C)C2)c(C#N)c1C ZINC000289864833 456160870 /nfs/dbraw/zinc/16/08/70/456160870.db2.gz QMWVFBZEXKNFLC-ONGXEEELSA-N 1 2 325.359 3.072 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC(F)(F)[C@@H](C)C2)c(C#N)c1C ZINC000289864833 456160879 /nfs/dbraw/zinc/16/08/79/456160879.db2.gz QMWVFBZEXKNFLC-ONGXEEELSA-N 1 2 325.359 3.072 20 30 EGEDLO CCc1nnc(NCCn2c(C)[nH+]c3ccccc32)c(C#N)c1CC ZINC000301615792 456163921 /nfs/dbraw/zinc/16/39/21/456163921.db2.gz JGFONGIIMSPWAZ-UHFFFAOYSA-N 1 2 334.427 3.243 20 30 EGEDLO N#Cc1c(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cn2ccccc12 ZINC000289910518 456177639 /nfs/dbraw/zinc/17/76/39/456177639.db2.gz NXXKLYPMJKEIBW-OAHLLOKOSA-N 1 2 325.803 3.108 20 30 EGEDLO N#Cc1c(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cn2ccccc12 ZINC000289910518 456177647 /nfs/dbraw/zinc/17/76/47/456177647.db2.gz NXXKLYPMJKEIBW-OAHLLOKOSA-N 1 2 325.803 3.108 20 30 EGEDLO Cn1c2ccc(NC(=O)c3ccc(C#N)c(O)c3)cc2[nH+]c1C1CC1 ZINC000189058422 456215524 /nfs/dbraw/zinc/21/55/24/456215524.db2.gz XNUKPNFXHNQQDG-UHFFFAOYSA-N 1 2 332.363 3.280 20 30 EGEDLO CC[C@H](CC#N)[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000273920557 456246934 /nfs/dbraw/zinc/24/69/34/456246934.db2.gz ZMVFSLXJEYLDOD-LLVKDONJSA-N 1 2 343.330 3.029 20 30 EGEDLO CC[C@H]1CN(C(=O)c2ccc(C#N)c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000189212870 456255768 /nfs/dbraw/zinc/25/57/68/456255768.db2.gz CLSRIFHYCXFANA-IBGZPJMESA-N 1 2 349.434 3.000 20 30 EGEDLO CC[C@H]1CN(C(=O)c2ccc(C#N)c(O)c2)CC[N@H+]1Cc1ccccc1 ZINC000189212870 456255776 /nfs/dbraw/zinc/25/57/76/456255776.db2.gz CLSRIFHYCXFANA-IBGZPJMESA-N 1 2 349.434 3.000 20 30 EGEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000297768673 456291097 /nfs/dbraw/zinc/29/10/97/456291097.db2.gz FYGUAQDNUFIQTH-MRVPVSSYSA-N 1 2 334.288 3.383 20 30 EGEDLO Cc1cc(F)cc2c1C[N@H+]([C@@H](C)C(=O)NC1(C#N)CCCCC1)CC2 ZINC000337428155 456351625 /nfs/dbraw/zinc/35/16/25/456351625.db2.gz XVJVTLVVAIDROZ-HNNXBMFYSA-N 1 2 343.446 3.223 20 30 EGEDLO Cc1cc(F)cc2c1C[N@@H+]([C@@H](C)C(=O)NC1(C#N)CCCCC1)CC2 ZINC000337428155 456351631 /nfs/dbraw/zinc/35/16/31/456351631.db2.gz XVJVTLVVAIDROZ-HNNXBMFYSA-N 1 2 343.446 3.223 20 30 EGEDLO CCOC1(C)CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000298185456 456384658 /nfs/dbraw/zinc/38/46/58/456384658.db2.gz AMZLFWAAHUVICC-UHFFFAOYSA-N 1 2 335.835 3.041 20 30 EGEDLO N#CC1(CCC[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)CCOCC1 ZINC000282003703 456386998 /nfs/dbraw/zinc/38/69/98/456386998.db2.gz NVVQQIMFMYVMQL-SFHVURJKSA-N 1 2 332.419 3.300 20 30 EGEDLO N#CC1(CCC[N@H+]2CCO[C@H](c3cccc(F)c3)C2)CCOCC1 ZINC000282003703 456387005 /nfs/dbraw/zinc/38/70/05/456387005.db2.gz NVVQQIMFMYVMQL-SFHVURJKSA-N 1 2 332.419 3.300 20 30 EGEDLO C=CCn1cccc1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337573334 456391650 /nfs/dbraw/zinc/39/16/50/456391650.db2.gz UNIWHIOMFUKDFB-MRXNPFEDSA-N 1 2 338.455 3.227 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NC1CCCC1 ZINC000352900333 456400416 /nfs/dbraw/zinc/40/04/16/456400416.db2.gz GYLRTFZQYUNGMF-MRXNPFEDSA-N 1 2 332.492 3.289 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NC1CCCC1 ZINC000352900333 456400420 /nfs/dbraw/zinc/40/04/20/456400420.db2.gz GYLRTFZQYUNGMF-MRXNPFEDSA-N 1 2 332.492 3.289 20 30 EGEDLO C=C(C)COc1cccc(NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)c1 ZINC000352936190 456421048 /nfs/dbraw/zinc/42/10/48/456421048.db2.gz NADYLPIIAGXHSK-IBGZPJMESA-N 1 2 344.455 3.081 20 30 EGEDLO C=C(C)COc1cccc(NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)c1 ZINC000352936190 456421055 /nfs/dbraw/zinc/42/10/55/456421055.db2.gz NADYLPIIAGXHSK-IBGZPJMESA-N 1 2 344.455 3.081 20 30 EGEDLO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccncc1 ZINC000348076217 456458958 /nfs/dbraw/zinc/45/89/58/456458958.db2.gz NODSPAAMQGVXKU-UHFFFAOYSA-N 1 2 328.803 3.067 20 30 EGEDLO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccncc1 ZINC000348076217 456458965 /nfs/dbraw/zinc/45/89/65/456458965.db2.gz NODSPAAMQGVXKU-UHFFFAOYSA-N 1 2 328.803 3.067 20 30 EGEDLO Cc1ccn2cc(CNC(=O)Nc3ccc(C#N)c(Cl)c3)[nH+]c2c1 ZINC000340637129 456589120 /nfs/dbraw/zinc/58/91/20/456589120.db2.gz BQLNCSMTDOIRIK-UHFFFAOYSA-N 1 2 339.786 3.490 20 30 EGEDLO Cc1cc(Br)cn2cc(CNc3ncccc3C#N)[nH+]c12 ZINC000353257432 456591664 /nfs/dbraw/zinc/59/16/64/456591664.db2.gz QFJCDQLVQVPTSH-UHFFFAOYSA-N 1 2 342.200 3.284 20 30 EGEDLO C=C(C)[C@@H](Nc1cc(NC[C@H](C)O)[nH+]cn1)c1ccc(F)c(F)c1 ZINC000299140446 456617713 /nfs/dbraw/zinc/61/77/13/456617713.db2.gz YEYGIVLXCJPMLE-APPDUMDISA-N 1 2 334.370 3.277 20 30 EGEDLO C=C(C)[C@@H](Nc1cc(NC[C@H](C)O)nc[nH+]1)c1ccc(F)c(F)c1 ZINC000299140446 456617719 /nfs/dbraw/zinc/61/77/19/456617719.db2.gz YEYGIVLXCJPMLE-APPDUMDISA-N 1 2 334.370 3.277 20 30 EGEDLO Cc1cccnc1C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348330016 456627600 /nfs/dbraw/zinc/62/76/00/456627600.db2.gz MAUXSYRIQKPVGI-LJQANCHMSA-N 1 2 340.858 3.426 20 30 EGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCC(C)(C)C#N)n2)C1 ZINC000348375521 456654470 /nfs/dbraw/zinc/65/44/70/456654470.db2.gz AGSZIKFNOMFHRN-LBPRGKRZSA-N 1 2 335.477 3.046 20 30 EGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC(C)(C)C#N)n2)C1 ZINC000348375521 456654475 /nfs/dbraw/zinc/65/44/75/456654475.db2.gz AGSZIKFNOMFHRN-LBPRGKRZSA-N 1 2 335.477 3.046 20 30 EGEDLO C=CCC(C)(C)c1noc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000340794911 456690015 /nfs/dbraw/zinc/69/00/15/456690015.db2.gz KTGCRBXTEDTQIA-INIZCTEOSA-N 1 2 327.428 3.497 20 30 EGEDLO C=CCC(C)(C)c1noc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000340794911 456690021 /nfs/dbraw/zinc/69/00/21/456690021.db2.gz KTGCRBXTEDTQIA-INIZCTEOSA-N 1 2 327.428 3.497 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CCCOc3ccccc32)C1 ZINC000328791011 456761867 /nfs/dbraw/zinc/76/18/67/456761867.db2.gz QOZVEEVVHYLWAZ-ZBFHGGJFSA-N 1 2 340.427 3.037 20 30 EGEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC(CC(F)(F)F)CC1 ZINC000328889112 456784741 /nfs/dbraw/zinc/78/47/41/456784741.db2.gz QPJLDSRHWOEHDC-ZDUSSCGKSA-N 1 2 344.381 3.339 20 30 EGEDLO C#CC[NH+]1CCN(c2ncnc3sc(-c4ccccc4)cc32)CC1 ZINC000301065670 456788536 /nfs/dbraw/zinc/78/85/36/456788536.db2.gz DGKGTRFCJGBBLP-UHFFFAOYSA-N 1 2 334.448 3.114 20 30 EGEDLO CC(C)(C)[C@@H]1C[C@H](NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000328935685 456794692 /nfs/dbraw/zinc/79/46/92/456794692.db2.gz JHLQNTZUVYNVOQ-ZNMIVQPWSA-N 1 2 334.464 3.097 20 30 EGEDLO O=C(NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000328959390 456801465 /nfs/dbraw/zinc/80/14/65/456801465.db2.gz OYIGHEJHOZUSPZ-MPGHIAIKSA-N 1 2 343.402 3.319 20 30 EGEDLO C=CCn1c(SCc2c[nH+]ccc2OC)nnc1-c1ccccn1 ZINC000344179929 456802317 /nfs/dbraw/zinc/80/23/17/456802317.db2.gz XOBLCAYAZZRKJK-UHFFFAOYSA-N 1 2 339.424 3.222 20 30 EGEDLO C=CC[C@@H](CC)NC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000344252174 456810384 /nfs/dbraw/zinc/81/03/84/456810384.db2.gz AVKLKZHYYGHLLL-QGZVFWFLSA-N 1 2 330.476 3.472 20 30 EGEDLO N#Cc1cc(C[N@@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)ccc1F ZINC000292063704 456843866 /nfs/dbraw/zinc/84/38/66/456843866.db2.gz CDVXVWLZTBDYQL-UHFFFAOYSA-N 1 2 341.361 3.100 20 30 EGEDLO N#Cc1cc(C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)ccc1F ZINC000292063704 456843873 /nfs/dbraw/zinc/84/38/73/456843873.db2.gz CDVXVWLZTBDYQL-UHFFFAOYSA-N 1 2 341.361 3.100 20 30 EGEDLO Cc1nnc([C@H]2CCC[N@H+](CC(=O)Nc3ccc(C)c(F)c3)C2)[nH]1 ZINC000329423832 456888417 /nfs/dbraw/zinc/88/84/17/456888417.db2.gz GFKXHTCQGOCQSF-ZDUSSCGKSA-N 1 2 331.395 3.028 20 30 EGEDLO Cc1nnc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(C)c(F)c3)C2)[nH]1 ZINC000329423832 456888419 /nfs/dbraw/zinc/88/84/19/456888419.db2.gz GFKXHTCQGOCQSF-ZDUSSCGKSA-N 1 2 331.395 3.028 20 30 EGEDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC(=O)Nc3ccc(C)c(F)c3)C2)n1 ZINC000329423832 456888421 /nfs/dbraw/zinc/88/84/21/456888421.db2.gz GFKXHTCQGOCQSF-ZDUSSCGKSA-N 1 2 331.395 3.028 20 30 EGEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(C)c(F)c3)C2)n1 ZINC000329423832 456888424 /nfs/dbraw/zinc/88/84/24/456888424.db2.gz GFKXHTCQGOCQSF-ZDUSSCGKSA-N 1 2 331.395 3.028 20 30 EGEDLO C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H]1OCCc2sccc21 ZINC000329492270 456899204 /nfs/dbraw/zinc/89/92/04/456899204.db2.gz TWKMMZQYHWMKBX-HWWQOWPSSA-N 1 2 331.441 3.166 20 30 EGEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+]CC[C@@H]2CCO[C@@H](C)C2)C1 ZINC000329754358 456935909 /nfs/dbraw/zinc/93/59/09/456935909.db2.gz KSMZPZFRNUKWQB-GVDBMIGSSA-N 1 2 348.491 3.202 20 30 EGEDLO CC1(C)C[N@H+](CC(=O)Nc2nc3c(s2)CCCC3)[C@@H]1[C@@H]1CCCO1 ZINC000329803398 456943457 /nfs/dbraw/zinc/94/34/57/456943457.db2.gz ZQJWSSKHXBPYDR-XJKSGUPXSA-N 1 2 349.500 3.499 20 30 EGEDLO CC1(C)C[N@@H+](CC(=O)Nc2nc3c(s2)CCCC3)[C@@H]1[C@@H]1CCCO1 ZINC000329803398 456943458 /nfs/dbraw/zinc/94/34/58/456943458.db2.gz ZQJWSSKHXBPYDR-XJKSGUPXSA-N 1 2 349.500 3.499 20 30 EGEDLO CC1(C)C[N@H+](CC(=O)N[C@@H]2CCOc3ccccc32)[C@@H]1[C@H]1CCCO1 ZINC000329827165 456946901 /nfs/dbraw/zinc/94/69/01/456946901.db2.gz ISDYYOIKLBKRQN-SZVBFZGTSA-N 1 2 344.455 3.356 20 30 EGEDLO CC1(C)C[N@@H+](CC(=O)N[C@@H]2CCOc3ccccc32)[C@@H]1[C@H]1CCCO1 ZINC000329827165 456946902 /nfs/dbraw/zinc/94/69/02/456946902.db2.gz ISDYYOIKLBKRQN-SZVBFZGTSA-N 1 2 344.455 3.356 20 30 EGEDLO C=CCSc1ccccc1C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000345390486 456976563 /nfs/dbraw/zinc/97/65/63/456976563.db2.gz COJHYSSDHVUVLL-IYBDPMFKSA-N 1 2 348.512 3.146 20 30 EGEDLO C=CCSc1ccccc1C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000345390486 456976571 /nfs/dbraw/zinc/97/65/71/456976571.db2.gz COJHYSSDHVUVLL-IYBDPMFKSA-N 1 2 348.512 3.146 20 30 EGEDLO O=C(NC[C@H]1CCC2(CCCCC2)O1)N1CCC(n2cc[nH+]c2)CC1 ZINC000330036985 456977897 /nfs/dbraw/zinc/97/78/97/456977897.db2.gz CXCVXDCIXZRGNT-QGZVFWFLSA-N 1 2 346.475 3.316 20 30 EGEDLO [O-]C(=[NH+]C[C@H]1CCC2(CCCCC2)O1)N1CCC(n2cc[nH+]c2)CC1 ZINC000330036985 456977900 /nfs/dbraw/zinc/97/79/00/456977900.db2.gz CXCVXDCIXZRGNT-QGZVFWFLSA-N 1 2 346.475 3.316 20 30 EGEDLO Cc1ccc([C@H](C)NC(=O)C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cc1C ZINC000330104501 456985904 /nfs/dbraw/zinc/98/59/04/456985904.db2.gz HANSGMBLNXNTBT-ABSDTBQOSA-N 1 2 346.471 3.201 20 30 EGEDLO Cc1ccc([C@H](C)NC(=O)C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cc1C ZINC000330104501 456985909 /nfs/dbraw/zinc/98/59/09/456985909.db2.gz HANSGMBLNXNTBT-ABSDTBQOSA-N 1 2 346.471 3.201 20 30 EGEDLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330141169 456991370 /nfs/dbraw/zinc/99/13/70/456991370.db2.gz XKDNNFGQTGKLGK-TWOQFEAHSA-N 1 2 346.471 3.495 20 30 EGEDLO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330141169 456991373 /nfs/dbraw/zinc/99/13/73/456991373.db2.gz XKDNNFGQTGKLGK-TWOQFEAHSA-N 1 2 346.471 3.495 20 30 EGEDLO N#Cc1cnc(NCC2([NH+]3CCOCC3)CCCCC2)c(Cl)c1 ZINC000339230023 457004264 /nfs/dbraw/zinc/00/42/64/457004264.db2.gz DOWGZYKVDNMEQG-UHFFFAOYSA-N 1 2 334.851 3.054 20 30 EGEDLO C=CCOc1ccc(CN2CC[NH+](Cc3ccco3)CC2)cc1OC ZINC000349652852 457006053 /nfs/dbraw/zinc/00/60/53/457006053.db2.gz GODUGDGOMSVNPF-UHFFFAOYSA-N 1 2 342.439 3.171 20 30 EGEDLO C=CCOc1ccc(C[NH+]2CCN(Cc3ccco3)CC2)cc1OC ZINC000349652852 457006057 /nfs/dbraw/zinc/00/60/57/457006057.db2.gz GODUGDGOMSVNPF-UHFFFAOYSA-N 1 2 342.439 3.171 20 30 EGEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000356473469 457007877 /nfs/dbraw/zinc/00/78/77/457007877.db2.gz KDAVHEJFWBVZCB-VXGBXAGGSA-N 1 2 325.359 3.097 20 30 EGEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000356473469 457007883 /nfs/dbraw/zinc/00/78/83/457007883.db2.gz KDAVHEJFWBVZCB-VXGBXAGGSA-N 1 2 325.359 3.097 20 30 EGEDLO C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000330286632 457022183 /nfs/dbraw/zinc/02/21/83/457022183.db2.gz BROCPXMBKBKASZ-PXAZEXFGSA-N 1 2 328.391 3.075 20 30 EGEDLO CC[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)C1 ZINC000330323898 457028218 /nfs/dbraw/zinc/02/82/18/457028218.db2.gz HZFXULJOKZHXEA-DLTWYDFYSA-N 1 2 334.464 3.113 20 30 EGEDLO CCc1ccc(NC(=O)N2CCN(CC)[C@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000330330999 457029423 /nfs/dbraw/zinc/02/94/23/457029423.db2.gz NSSGPCNDXOOQJA-INIZCTEOSA-N 1 2 345.422 3.036 20 30 EGEDLO [O-]C(=[NH+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000330335367 457030332 /nfs/dbraw/zinc/03/03/32/457030332.db2.gz YZUAOGHDHYZCAK-OWLYRPNTSA-N 1 2 336.439 3.089 20 30 EGEDLO O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000330335367 457030339 /nfs/dbraw/zinc/03/03/39/457030339.db2.gz YZUAOGHDHYZCAK-OWLYRPNTSA-N 1 2 336.439 3.089 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000354121161 457077676 /nfs/dbraw/zinc/07/76/76/457077676.db2.gz QZFCOGFVOKCRQG-JKSUJKDBSA-N 1 2 334.435 3.012 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000362820721 457109784 /nfs/dbraw/zinc/10/97/84/457109784.db2.gz QKAFDHNQSQZZRC-YOEHRIQHSA-N 1 2 325.412 3.370 20 30 EGEDLO CCc1nc([C@H]2CCCC[N@@H+]2CCCOc2ccc(C#N)cc2)no1 ZINC000363015336 457197570 /nfs/dbraw/zinc/19/75/70/457197570.db2.gz YIKMELLMXBKYNR-QGZVFWFLSA-N 1 2 340.427 3.500 20 30 EGEDLO CCc1nc([C@H]2CCCC[N@H+]2CCCOc2ccc(C#N)cc2)no1 ZINC000363015336 457197574 /nfs/dbraw/zinc/19/75/74/457197574.db2.gz YIKMELLMXBKYNR-QGZVFWFLSA-N 1 2 340.427 3.500 20 30 EGEDLO C=CCOCCCC(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000342390882 457275207 /nfs/dbraw/zinc/27/52/07/457275207.db2.gz FJKRYMQACUSODP-MRXNPFEDSA-N 1 2 334.435 3.014 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1C ZINC000351966958 457325658 /nfs/dbraw/zinc/32/56/58/457325658.db2.gz GWGROIIDILIVHV-RTBURBONSA-N 1 2 330.472 3.363 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1C ZINC000351966958 457325666 /nfs/dbraw/zinc/32/56/66/457325666.db2.gz GWGROIIDILIVHV-RTBURBONSA-N 1 2 330.472 3.363 20 30 EGEDLO Cn1c[nH+]cc1CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000355262783 457350873 /nfs/dbraw/zinc/35/08/73/457350873.db2.gz HILNSVHOXMABPW-UHFFFAOYSA-N 1 2 346.390 3.208 20 30 EGEDLO Cc1n[nH]c(C)c1C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000355321884 457357487 /nfs/dbraw/zinc/35/74/87/457357487.db2.gz UUUYTEUNCZCUKN-GOSISDBHSA-N 1 2 343.862 3.062 20 30 EGEDLO CCN(C(=O)C[NH+]1CCC(F)(C#N)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000352464408 457388699 /nfs/dbraw/zinc/38/86/99/457388699.db2.gz SUTQTIMNGQIPDA-AWEZNQCLSA-N 1 2 335.398 3.063 20 30 EGEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C#N)c1ccccc1F)C2 ZINC000355606687 457394542 /nfs/dbraw/zinc/39/45/42/457394542.db2.gz LPRBHNYXCVGBTB-SJKOYZFVSA-N 1 2 340.402 3.158 20 30 EGEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C#N)c1ccccc1F)CC2 ZINC000355606687 457394548 /nfs/dbraw/zinc/39/45/48/457394548.db2.gz LPRBHNYXCVGBTB-SJKOYZFVSA-N 1 2 340.402 3.158 20 30 EGEDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000347493749 457465057 /nfs/dbraw/zinc/46/50/57/457465057.db2.gz IJBXUQHYEFQNHK-UHFFFAOYSA-N 1 2 332.363 3.346 20 30 EGEDLO N#Cc1cccc(C2(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000347588097 457531036 /nfs/dbraw/zinc/53/10/36/457531036.db2.gz PPUWJMVPPMHUQZ-UHFFFAOYSA-N 1 2 328.375 3.163 20 30 EGEDLO C=CC[N@H+](CCCS(=O)(=O)c1ccc(C)cc1)CCc1ccco1 ZINC000352699522 457541420 /nfs/dbraw/zinc/54/14/20/457541420.db2.gz AICLNHCHLRVILF-UHFFFAOYSA-N 1 2 347.480 3.483 20 30 EGEDLO C=CC[N@@H+](CCCS(=O)(=O)c1ccc(C)cc1)CCc1ccco1 ZINC000352699522 457541429 /nfs/dbraw/zinc/54/14/29/457541429.db2.gz AICLNHCHLRVILF-UHFFFAOYSA-N 1 2 347.480 3.483 20 30 EGEDLO C=C1CC[NH+](Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000356231324 457550375 /nfs/dbraw/zinc/55/03/75/457550375.db2.gz MEZFRGPBVOEUFU-UHFFFAOYSA-N 1 2 333.233 3.182 20 30 EGEDLO Cn1c[nH+]cc1CCC(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000356308794 457565982 /nfs/dbraw/zinc/56/59/82/457565982.db2.gz WXHGXJXBDMXVEK-UHFFFAOYSA-N 1 2 329.403 3.391 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCS(=O)(=O)c1ccc(F)cc1 ZINC000425531767 457587575 /nfs/dbraw/zinc/58/75/75/457587575.db2.gz HWSJBZGHTYMAKG-CQSZACIVSA-N 1 2 346.427 3.164 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCS(=O)(=O)c1ccc(F)cc1 ZINC000425531767 457587578 /nfs/dbraw/zinc/58/75/78/457587578.db2.gz HWSJBZGHTYMAKG-CQSZACIVSA-N 1 2 346.427 3.164 20 30 EGEDLO C[NH+](C)[C@H](CNc1ccc(C#N)c([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000357545851 457588162 /nfs/dbraw/zinc/58/81/62/457588162.db2.gz ZPTNDJKWMKPKIW-MRXNPFEDSA-N 1 2 346.337 3.459 20 30 EGEDLO Cn1cc(CNc2cc[nH+]c(OCC(F)(F)C(F)F)c2)cc1C#N ZINC000357714721 457666391 /nfs/dbraw/zinc/66/63/91/457666391.db2.gz IFTRRQYRBSUILX-UHFFFAOYSA-N 1 2 342.296 3.183 20 30 EGEDLO C=C(C)[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccc(F)c(F)c1 ZINC000364916597 457717483 /nfs/dbraw/zinc/71/74/83/457717483.db2.gz ODIRVCLIRJEDRS-GUYCJALGSA-N 1 2 331.366 3.157 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+](C)CC(C)(C)C#N ZINC000433289483 457800955 /nfs/dbraw/zinc/80/09/55/457800955.db2.gz PVCQTONRIJEPRG-NSHDSACASA-N 1 2 325.359 3.097 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+](C)CC(C)(C)C#N ZINC000433289483 457800963 /nfs/dbraw/zinc/80/09/63/457800963.db2.gz PVCQTONRIJEPRG-NSHDSACASA-N 1 2 325.359 3.097 20 30 EGEDLO C[N@H+](CC(=O)NCc1ccccc1OC1CCCC1)CC(C)(C)C#N ZINC000433302300 457804399 /nfs/dbraw/zinc/80/43/99/457804399.db2.gz XJBYWNUZUHLLRG-UHFFFAOYSA-N 1 2 343.471 3.106 20 30 EGEDLO C[N@@H+](CC(=O)NCc1ccccc1OC1CCCC1)CC(C)(C)C#N ZINC000433302300 457804410 /nfs/dbraw/zinc/80/44/10/457804410.db2.gz XJBYWNUZUHLLRG-UHFFFAOYSA-N 1 2 343.471 3.106 20 30 EGEDLO C[N@H+](CC(=O)NCCc1ccc(C(C)(C)C)cc1)CC(C)(C)C#N ZINC000433311101 457806491 /nfs/dbraw/zinc/80/64/91/457806491.db2.gz FTWCCQARVBRBAX-UHFFFAOYSA-N 1 2 329.488 3.124 20 30 EGEDLO C[N@@H+](CC(=O)NCCc1ccc(C(C)(C)C)cc1)CC(C)(C)C#N ZINC000433311101 457806493 /nfs/dbraw/zinc/80/64/93/457806493.db2.gz FTWCCQARVBRBAX-UHFFFAOYSA-N 1 2 329.488 3.124 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@H](O)c3ccc(Cl)cc3)CCO2)c1 ZINC000371293133 457850894 /nfs/dbraw/zinc/85/08/94/457850894.db2.gz TZSZSIHTVYMESQ-OALUTQOASA-N 1 2 342.826 3.319 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H](O)c3ccc(Cl)cc3)CCO2)c1 ZINC000371293133 457850901 /nfs/dbraw/zinc/85/09/01/457850901.db2.gz TZSZSIHTVYMESQ-OALUTQOASA-N 1 2 342.826 3.319 20 30 EGEDLO C=C(C)COc1cccc(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000366824733 457903094 /nfs/dbraw/zinc/90/30/94/457903094.db2.gz GINDGFYEIGWFFR-HNNXBMFYSA-N 1 2 340.427 3.396 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3cc(Cl)ccc3O)CCO2)c1 ZINC000371463485 457944307 /nfs/dbraw/zinc/94/43/07/457944307.db2.gz IPCPXWUZFPOZEA-GOSISDBHSA-N 1 2 328.799 3.491 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3cc(Cl)ccc3O)CCO2)c1 ZINC000371463485 457944311 /nfs/dbraw/zinc/94/43/11/457944311.db2.gz IPCPXWUZFPOZEA-GOSISDBHSA-N 1 2 328.799 3.491 20 30 EGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1cccc(CC#N)c1 ZINC000362033333 458016068 /nfs/dbraw/zinc/01/60/68/458016068.db2.gz ANTFMITWTYSEJY-UHFFFAOYSA-N 1 2 344.418 3.270 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](C)c1csnn1 ZINC000412045816 458063891 /nfs/dbraw/zinc/06/38/91/458063891.db2.gz SLKCQPLXGOZENA-LLVKDONJSA-N 1 2 334.470 3.106 20 30 EGEDLO C[C@@H](Nc1nc2c(cc1C#N)CCCC2(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000428100327 458080445 /nfs/dbraw/zinc/08/04/45/458080445.db2.gz GKTHDVOCYGUCBU-CABCVRRESA-N 1 2 342.487 3.088 20 30 EGEDLO CCCc1nc(C)c(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)o1 ZINC000428365904 458127896 /nfs/dbraw/zinc/12/78/96/458127896.db2.gz WDQYPRKPBCNAMD-GOSISDBHSA-N 1 2 338.455 3.318 20 30 EGEDLO CN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000362438933 458177638 /nfs/dbraw/zinc/17/76/38/458177638.db2.gz NKFUOGAPOFGCFF-RTWAWAEBSA-N 1 2 347.462 3.417 20 30 EGEDLO CN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000362438933 458177643 /nfs/dbraw/zinc/17/76/43/458177643.db2.gz NKFUOGAPOFGCFF-RTWAWAEBSA-N 1 2 347.462 3.417 20 30 EGEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000428863291 458224922 /nfs/dbraw/zinc/22/49/22/458224922.db2.gz XXIKMUFNBCKHCF-FQEVSTJZSA-N 1 2 336.435 3.495 20 30 EGEDLO C=CC[N@H+](CCC#N)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000428863291 458224929 /nfs/dbraw/zinc/22/49/29/458224929.db2.gz XXIKMUFNBCKHCF-FQEVSTJZSA-N 1 2 336.435 3.495 20 30 EGEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCc2[nH+]ccn2C)cc1 ZINC000362532348 458250589 /nfs/dbraw/zinc/25/05/89/458250589.db2.gz ASIFHRBSOGUBMH-UHFFFAOYSA-N 1 2 346.390 3.323 20 30 EGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000459115727 458269219 /nfs/dbraw/zinc/26/92/19/458269219.db2.gz OFWMVJXLSBMBQX-OAHLLOKOSA-N 1 2 342.443 3.370 20 30 EGEDLO C=CC[C@H]1N(C(=O)C(=O)Nc2ccc(C)[nH+]c2C)CCCC1(C)C ZINC000447418773 458295297 /nfs/dbraw/zinc/29/52/97/458295297.db2.gz PJWNDLTWOKKBOU-MRXNPFEDSA-N 1 2 329.444 3.230 20 30 EGEDLO C=CC[C@@H]1N(C(=O)C(=O)Nc2ccc(C)[nH+]c2C)CCCC1(C)C ZINC000447418772 458295826 /nfs/dbraw/zinc/29/58/26/458295826.db2.gz PJWNDLTWOKKBOU-INIZCTEOSA-N 1 2 329.444 3.230 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000372520406 458305407 /nfs/dbraw/zinc/30/54/07/458305407.db2.gz GKBWLDFKDUNNNS-DLBZAZTESA-N 1 2 343.471 3.264 20 30 EGEDLO CCOC(=O)CC(C)(C)CC[N@@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000376541196 458332257 /nfs/dbraw/zinc/33/22/57/458332257.db2.gz NHSBHQNAOYPPGJ-QFBILLFUSA-N 1 2 336.476 3.283 20 30 EGEDLO CCOC(=O)CC(C)(C)CC[N@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000376541196 458332261 /nfs/dbraw/zinc/33/22/61/458332261.db2.gz NHSBHQNAOYPPGJ-QFBILLFUSA-N 1 2 336.476 3.283 20 30 EGEDLO COC(=O)C[C@](C)([NH2+]CC#Cc1ccc(Cl)cc1)c1ccccn1 ZINC000429638833 458355066 /nfs/dbraw/zinc/35/50/66/458355066.db2.gz WJHHPGWVDJELHY-IBGZPJMESA-N 1 2 342.826 3.155 20 30 EGEDLO CC(C)(CCC#N)CNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000376676194 458366938 /nfs/dbraw/zinc/36/69/38/458366938.db2.gz YWFWZJPWGNOURQ-UHFFFAOYSA-N 1 2 325.416 3.001 20 30 EGEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(F)cc1I ZINC000417990691 458369083 /nfs/dbraw/zinc/36/90/83/458369083.db2.gz MNRPXEAHRTTZFD-LLVKDONJSA-N 1 2 332.160 3.212 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459462336 458378776 /nfs/dbraw/zinc/37/87/76/458378776.db2.gz KZRUMWDYMKKSCI-UHFFFAOYSA-N 1 2 341.459 3.415 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459462336 458378780 /nfs/dbraw/zinc/37/87/80/458378780.db2.gz KZRUMWDYMKKSCI-UHFFFAOYSA-N 1 2 341.459 3.415 20 30 EGEDLO Cc1ccc([C@@H](CC(=O)OC(C)C)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000419228853 458379311 /nfs/dbraw/zinc/37/93/11/458379311.db2.gz NHVKNWBGNAZIIW-MRXNPFEDSA-N 1 2 343.452 3.496 20 30 EGEDLO C=CC[N@H+]1CCOC[C@@H]1c1c(C)nn(-c2cccc(OC)c2)c1C ZINC000373123525 458403952 /nfs/dbraw/zinc/40/39/52/458403952.db2.gz IFZVYEGUEAQOBT-GOSISDBHSA-N 1 2 327.428 3.057 20 30 EGEDLO C=CC[N@@H+]1CCOC[C@@H]1c1c(C)nn(-c2cccc(OC)c2)c1C ZINC000373123525 458403956 /nfs/dbraw/zinc/40/39/56/458403956.db2.gz IFZVYEGUEAQOBT-GOSISDBHSA-N 1 2 327.428 3.057 20 30 EGEDLO C=CCC1(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CCCC1 ZINC000449107671 458420351 /nfs/dbraw/zinc/42/03/51/458420351.db2.gz QOWKDQGPGJGIQD-UHFFFAOYSA-N 1 2 342.483 3.272 20 30 EGEDLO Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000459616824 458428922 /nfs/dbraw/zinc/42/89/22/458428922.db2.gz QJZFBLBISSFJTK-UHFFFAOYSA-N 1 2 338.455 3.390 20 30 EGEDLO N#Cc1ccc(C[N@@H+](Cc2ccn(CC(F)(F)F)n2)C2CC2)cc1 ZINC000450297605 458444180 /nfs/dbraw/zinc/44/41/80/458444180.db2.gz JISOAUVFLWKZEJ-UHFFFAOYSA-N 1 2 334.345 3.482 20 30 EGEDLO N#Cc1ccc(C[N@H+](Cc2ccn(CC(F)(F)F)n2)C2CC2)cc1 ZINC000450297605 458444185 /nfs/dbraw/zinc/44/41/85/458444185.db2.gz JISOAUVFLWKZEJ-UHFFFAOYSA-N 1 2 334.345 3.482 20 30 EGEDLO C=CCN1CC[C@H](N(C)c2cc[nH+]c3cc(F)c(Cl)cc32)C1=O ZINC000450498170 458449747 /nfs/dbraw/zinc/44/97/47/458449747.db2.gz HSCNEXUJUJNNJJ-INIZCTEOSA-N 1 2 333.794 3.250 20 30 EGEDLO C=CCC1(CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CCCC1 ZINC000450843641 458457253 /nfs/dbraw/zinc/45/72/53/458457253.db2.gz IQJILCIKZFMZBF-INIZCTEOSA-N 1 2 330.476 3.234 20 30 EGEDLO C=CCC1(CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CCCC1 ZINC000450843641 458457257 /nfs/dbraw/zinc/45/72/57/458457257.db2.gz IQJILCIKZFMZBF-INIZCTEOSA-N 1 2 330.476 3.234 20 30 EGEDLO CC(C)(C)Oc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1C#N ZINC000452685148 458505893 /nfs/dbraw/zinc/50/58/93/458505893.db2.gz PUPIXJMUVMNQBL-ZDUSSCGKSA-N 1 2 338.411 3.133 20 30 EGEDLO O=C(Nc1ccccc1C#Cc1ccccc1)N1CCn2c[nH+]cc2C1 ZINC000377806629 458534781 /nfs/dbraw/zinc/53/47/81/458534781.db2.gz HRMHNVHQPNFWIA-UHFFFAOYSA-N 1 2 342.402 3.331 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@@H+](Cc3csc(CC)n3)CC2)CCC1 ZINC000373624467 458556243 /nfs/dbraw/zinc/55/62/43/458556243.db2.gz ILIBUHQUADQVGE-UHFFFAOYSA-N 1 2 347.528 3.486 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@H+](Cc3csc(CC)n3)CC2)CCC1 ZINC000373624467 458556253 /nfs/dbraw/zinc/55/62/53/458556253.db2.gz ILIBUHQUADQVGE-UHFFFAOYSA-N 1 2 347.528 3.486 20 30 EGEDLO C=C(CC)CNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000454513059 458565201 /nfs/dbraw/zinc/56/52/01/458565201.db2.gz QNXBEYXRPPNXJF-HOTGVXAUSA-N 1 2 331.460 3.384 20 30 EGEDLO C=CCC[C@@H](CO)NC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000455109373 458586004 /nfs/dbraw/zinc/58/60/04/458586004.db2.gz PNGOGYLXDITMKV-CVEARBPZSA-N 1 2 346.475 3.217 20 30 EGEDLO N#C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1c(Cl)cccc1Cl ZINC000455538852 458603356 /nfs/dbraw/zinc/60/33/56/458603356.db2.gz HZQRISOPHVKUKK-GWCFXTLKSA-N 1 2 349.221 3.133 20 30 EGEDLO Cc1cc(C#N)cc(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000455981098 458625384 /nfs/dbraw/zinc/62/53/84/458625384.db2.gz GPCWYSHRDDCYLW-UHFFFAOYSA-N 1 2 335.411 3.184 20 30 EGEDLO C=C[C@H]1CCCCN1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000494232508 458643771 /nfs/dbraw/zinc/64/37/71/458643771.db2.gz AVUACKOCUCQBDS-SFHVURJKSA-N 1 2 338.455 3.224 20 30 EGEDLO C=CCOc1cccc(CNc2[nH+]c3ccccc3n2CCOC)c1 ZINC000464348333 458746786 /nfs/dbraw/zinc/74/67/86/458746786.db2.gz AAPLOLWRYRZKAD-UHFFFAOYSA-N 1 2 337.423 3.282 20 30 EGEDLO C=C(CNC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000512661413 458787425 /nfs/dbraw/zinc/78/74/25/458787425.db2.gz SBMSNUZMDZVYAF-UHFFFAOYSA-N 1 2 341.480 3.289 20 30 EGEDLO N#CCC[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)Cc1ccccn1 ZINC000495068853 458794068 /nfs/dbraw/zinc/79/40/68/458794068.db2.gz RCRUISGMJWPDIE-UHFFFAOYSA-N 1 2 344.365 3.104 20 30 EGEDLO N#CCC[N@H+](CCC(=O)Nc1cc(F)cc(F)c1)Cc1ccccn1 ZINC000495068853 458794075 /nfs/dbraw/zinc/79/40/75/458794075.db2.gz RCRUISGMJWPDIE-UHFFFAOYSA-N 1 2 344.365 3.104 20 30 EGEDLO C=CCCCCNC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000472827465 458809925 /nfs/dbraw/zinc/80/99/25/458809925.db2.gz DTKJQZSIMHPJIR-LJQANCHMSA-N 1 2 345.487 3.024 20 30 EGEDLO C=CCCCCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000472831462 458810376 /nfs/dbraw/zinc/81/03/76/458810376.db2.gz HBWGFSINEUETIT-LJQANCHMSA-N 1 2 345.487 3.024 20 30 EGEDLO COc1ccc(C#N)cc1C[N@H+](C)Cc1c(C)nc2sccn12 ZINC000440920077 458865377 /nfs/dbraw/zinc/86/53/77/458865377.db2.gz SJSWDEMEYPBKOE-UHFFFAOYSA-N 1 2 326.425 3.217 20 30 EGEDLO COc1ccc(C#N)cc1C[N@@H+](C)Cc1c(C)nc2sccn12 ZINC000440920077 458865384 /nfs/dbraw/zinc/86/53/84/458865384.db2.gz SJSWDEMEYPBKOE-UHFFFAOYSA-N 1 2 326.425 3.217 20 30 EGEDLO CCOC(=O)C1([NH2+]CCCCC(C)(C)C#N)Cc2ccccc2C1 ZINC000576857835 458934894 /nfs/dbraw/zinc/93/48/94/458934894.db2.gz FGDCYSHWJGVABZ-UHFFFAOYSA-N 1 2 328.456 3.397 20 30 EGEDLO CCn1cc(C[N@H+](C)Cc2cc(C#N)ccc2Br)cn1 ZINC000576890833 458941807 /nfs/dbraw/zinc/94/18/07/458941807.db2.gz IHNRAQMLMRKEFO-UHFFFAOYSA-N 1 2 333.233 3.169 20 30 EGEDLO CCn1cc(C[N@@H+](C)Cc2cc(C#N)ccc2Br)cn1 ZINC000576890833 458941812 /nfs/dbraw/zinc/94/18/12/458941812.db2.gz IHNRAQMLMRKEFO-UHFFFAOYSA-N 1 2 333.233 3.169 20 30 EGEDLO COc1cc(C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)ccc1C#N ZINC000442880138 459049549 /nfs/dbraw/zinc/04/95/49/459049549.db2.gz KXEJGHXVDZBLIE-UHFFFAOYSA-N 1 2 332.407 3.492 20 30 EGEDLO COc1cc(C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)ccc1C#N ZINC000442880138 459049553 /nfs/dbraw/zinc/04/95/53/459049553.db2.gz KXEJGHXVDZBLIE-UHFFFAOYSA-N 1 2 332.407 3.492 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000478052651 459074621 /nfs/dbraw/zinc/07/46/21/459074621.db2.gz IEKCKKKJESZJNL-INIZCTEOSA-N 1 2 341.455 3.310 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCOC2(C1)CCCCCC2 ZINC000478052651 459074626 /nfs/dbraw/zinc/07/46/26/459074626.db2.gz IEKCKKKJESZJNL-INIZCTEOSA-N 1 2 341.455 3.310 20 30 EGEDLO N#Cc1cnc2c(F)c(F)c(F)cc2c1NCCCCn1cc[nH+]c1 ZINC000557643457 459094215 /nfs/dbraw/zinc/09/42/15/459094215.db2.gz HVKJKAYPDLXNHE-UHFFFAOYSA-N 1 2 345.328 3.034 20 30 EGEDLO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2CCC[C@](C)(C#N)C2)C1=O ZINC000590173274 459097103 /nfs/dbraw/zinc/09/71/03/459097103.db2.gz ZTJICZJRECJSDF-LSBZLQRGSA-N 1 2 329.419 3.113 20 30 EGEDLO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2CCC[C@](C)(C#N)C2)C1=O ZINC000590173274 459097106 /nfs/dbraw/zinc/09/71/06/459097106.db2.gz ZTJICZJRECJSDF-LSBZLQRGSA-N 1 2 329.419 3.113 20 30 EGEDLO Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000594610964 459112325 /nfs/dbraw/zinc/11/23/25/459112325.db2.gz IIJJQXIUHDQLDP-UHFFFAOYSA-N 1 2 329.407 3.272 20 30 EGEDLO Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000594610964 459112333 /nfs/dbraw/zinc/11/23/33/459112333.db2.gz IIJJQXIUHDQLDP-UHFFFAOYSA-N 1 2 329.407 3.272 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)NCC2(C#N)CC2)CC1 ZINC000521165667 459125821 /nfs/dbraw/zinc/12/58/21/459125821.db2.gz SLEWSGMBHRLWES-CQSZACIVSA-N 1 2 346.862 3.032 20 30 EGEDLO CC(C)(C)Oc1ccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1C#N ZINC000590773324 459211885 /nfs/dbraw/zinc/21/18/85/459211885.db2.gz JGEZOPLWLZGRCC-CYBMUJFWSA-N 1 2 338.411 3.133 20 30 EGEDLO Cc1cc(N2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(C#N)c[nH+]1 ZINC000496740256 459306510 /nfs/dbraw/zinc/30/65/10/459306510.db2.gz LMWVGNOCMPRHKC-IBGZPJMESA-N 1 2 342.443 3.099 20 30 EGEDLO C=CCOC[C@H]([NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)cc1)C(=O)OC ZINC000482432906 459307787 /nfs/dbraw/zinc/30/77/87/459307787.db2.gz CGDTVDZPOGUVNT-ZACQAIPSSA-N 1 2 337.847 3.310 20 30 EGEDLO C=CCOC[C@@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)C(=O)OC ZINC000482441192 459308624 /nfs/dbraw/zinc/30/86/24/459308624.db2.gz SEGSRFFNYWSHBN-WUHRBBMRSA-N 1 2 343.876 3.227 20 30 EGEDLO Cc1cccn2cc(CC(=O)N[C@H](C#N)c3ccc(Cl)cc3)[nH+]c12 ZINC000536622992 459360780 /nfs/dbraw/zinc/36/07/80/459360780.db2.gz BCHDRMIFMJAWNL-MRXNPFEDSA-N 1 2 338.798 3.220 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000591381166 459367214 /nfs/dbraw/zinc/36/72/14/459367214.db2.gz FHJJBUAEMWDVOQ-MRXNPFEDSA-N 1 2 337.467 3.424 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000591381166 459367223 /nfs/dbraw/zinc/36/72/23/459367223.db2.gz FHJJBUAEMWDVOQ-MRXNPFEDSA-N 1 2 337.467 3.424 20 30 EGEDLO C=CCCC[C@@H](C)NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000540488285 459382248 /nfs/dbraw/zinc/38/22/48/459382248.db2.gz PYOWAUHGTAOLRF-GOSISDBHSA-N 1 2 345.487 3.137 20 30 EGEDLO COc1ccc2c(c1)CC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C2 ZINC000595760718 459430064 /nfs/dbraw/zinc/43/00/64/459430064.db2.gz WMKSFIJVZZWBAW-UHFFFAOYSA-N 1 2 349.434 3.000 20 30 EGEDLO COc1ccc2c(c1)CC[N@H+](CC(=O)N(CCC#N)c1ccccc1)C2 ZINC000595760718 459430069 /nfs/dbraw/zinc/43/00/69/459430069.db2.gz WMKSFIJVZZWBAW-UHFFFAOYSA-N 1 2 349.434 3.000 20 30 EGEDLO Cc1cc2[nH+]cn(C[C@H](O)CNc3cccc(CC#N)c3)c2cc1C ZINC000591776713 459434114 /nfs/dbraw/zinc/43/41/14/459434114.db2.gz BUQUKLCYYRFWFD-GOSISDBHSA-N 1 2 334.423 3.192 20 30 EGEDLO CC[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1nnc2n1CCCCC2 ZINC000595805756 459447557 /nfs/dbraw/zinc/44/75/57/459447557.db2.gz AGJYVYIUGJOKRL-MRXNPFEDSA-N 1 2 327.407 3.256 20 30 EGEDLO C[C@@H](F)CCO[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000497291371 459517797 /nfs/dbraw/zinc/51/77/97/459517797.db2.gz BXWRCGSITRLRLD-GFCCVEGCSA-N 1 2 339.411 3.096 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000488365784 459543275 /nfs/dbraw/zinc/54/32/75/459543275.db2.gz KCQMFXBDVJAVDR-KRWDZBQOSA-N 1 2 338.386 3.066 20 30 EGEDLO C[C@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC2(CCCC2)O1 ZINC000592191425 459547100 /nfs/dbraw/zinc/54/71/00/459547100.db2.gz CFOWJQZVUTYQBN-AWEZNQCLSA-N 1 2 338.411 3.142 20 30 EGEDLO C[C@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC2(CCCC2)O1 ZINC000592191425 459547103 /nfs/dbraw/zinc/54/71/03/459547103.db2.gz CFOWJQZVUTYQBN-AWEZNQCLSA-N 1 2 338.411 3.142 20 30 EGEDLO COc1ccc(-c2nc(C[NH+]3CCC(CCC#N)CC3)no2)cc1 ZINC000570567010 459557759 /nfs/dbraw/zinc/55/77/59/459557759.db2.gz PWVHWBNZAKLAFP-UHFFFAOYSA-N 1 2 326.400 3.261 20 30 EGEDLO C[NH+](C)[C@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)c1c(F)cccc1F ZINC000571867170 459574040 /nfs/dbraw/zinc/57/40/40/459574040.db2.gz DNMJNHDUBXXDON-BEFAXECRSA-N 1 2 347.409 3.158 20 30 EGEDLO C#C[C@H](CCC)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000491219696 459605855 /nfs/dbraw/zinc/60/58/55/459605855.db2.gz GXBLLASLLDOQKG-DOTOQJQBSA-N 1 2 329.444 3.003 20 30 EGEDLO C#C[C@@H](NC(=O)C1CC[NH+](CC(F)F)CC1)c1ccc(Cl)cc1 ZINC000491316931 459616086 /nfs/dbraw/zinc/61/60/86/459616086.db2.gz YPGPEWLLFLKIKM-OAHLLOKOSA-N 1 2 340.801 3.108 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CCSC[C@@H]2C2CCC2)c(C#N)c1C ZINC000584043583 459640576 /nfs/dbraw/zinc/64/05/76/459640576.db2.gz RANDGRBOTCLDPQ-OAHLLOKOSA-N 1 2 349.525 3.393 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CCSC[C@@H]2C2CCC2)c(C#N)c1C ZINC000584043583 459640581 /nfs/dbraw/zinc/64/05/81/459640581.db2.gz RANDGRBOTCLDPQ-OAHLLOKOSA-N 1 2 349.525 3.393 20 30 EGEDLO CC1CC(C#N)(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000573296765 459654188 /nfs/dbraw/zinc/65/41/88/459654188.db2.gz NADKITYKVKGQBL-UHFFFAOYSA-N 1 2 328.803 3.082 20 30 EGEDLO C#C[C@H]([NH2+]Cc1cc(OC)ccc1OCOC)c1ccc(F)cc1 ZINC000491698270 459655923 /nfs/dbraw/zinc/65/59/23/459655923.db2.gz HILRZMFUMMEFBR-SFHVURJKSA-N 1 2 329.371 3.281 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1cnc(N2CCCC2)nc1)c1ccc(Cl)cc1F ZINC000491767643 459668560 /nfs/dbraw/zinc/66/85/60/459668560.db2.gz JEVHPKBMBWTGGZ-QGZVFWFLSA-N 1 2 344.821 3.333 20 30 EGEDLO C#C[C@H](CCC)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000491778351 459672445 /nfs/dbraw/zinc/67/24/45/459672445.db2.gz IRPPMPGOFMAIPB-CVEARBPZSA-N 1 2 344.846 3.264 20 30 EGEDLO CCC(C#N)(CC)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000527649281 459684075 /nfs/dbraw/zinc/68/40/75/459684075.db2.gz MLRZJZRNUGLXCN-DHZHZOJOSA-N 1 2 325.456 3.174 20 30 EGEDLO CC1(C)C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@H]1c1ccncc1 ZINC000596593081 459689223 /nfs/dbraw/zinc/68/92/23/459689223.db2.gz QFRJBULRBMLZTR-MOPGFXCFSA-N 1 2 346.434 3.142 20 30 EGEDLO CC1(C)C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@H]1c1ccncc1 ZINC000596593081 459689226 /nfs/dbraw/zinc/68/92/26/459689226.db2.gz QFRJBULRBMLZTR-MOPGFXCFSA-N 1 2 346.434 3.142 20 30 EGEDLO Cc1cc(NC(=O)c2ccc(C#N)cn2)c[nH+]c1N1CCCC[C@H]1C ZINC000543733767 459692386 /nfs/dbraw/zinc/69/23/86/459692386.db2.gz WLUMLXLKKKPIRJ-CQSZACIVSA-N 1 2 335.411 3.288 20 30 EGEDLO CC(C)c1nc2ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc2s1 ZINC000563006121 459693660 /nfs/dbraw/zinc/69/36/60/459693660.db2.gz XBZXJMXGLVJTGR-CQSZACIVSA-N 1 2 332.473 3.038 20 30 EGEDLO CC(C)c1nc2ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc2s1 ZINC000563006121 459693665 /nfs/dbraw/zinc/69/36/65/459693665.db2.gz XBZXJMXGLVJTGR-CQSZACIVSA-N 1 2 332.473 3.038 20 30 EGEDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000492412517 459703142 /nfs/dbraw/zinc/70/31/42/459703142.db2.gz VPEPZHVUPLTJGL-QXMHVHEDSA-N 1 2 342.402 3.350 20 30 EGEDLO Cc1cc(C)cc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000596658597 459717670 /nfs/dbraw/zinc/71/76/70/459717670.db2.gz KADHFBOUTFSRKI-UHFFFAOYSA-N 1 2 347.462 3.062 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCC4(CC4)C3)CC2)cc1 ZINC000596659337 459717883 /nfs/dbraw/zinc/71/78/83/459717883.db2.gz WFANJEYRFJSURY-LJQANCHMSA-N 1 2 337.467 3.173 20 30 EGEDLO Cn1cc[nH+]c1[C@H](CC(=O)N(CCC#N)CC(C)(C)C)C(F)(F)F ZINC000563375975 459765182 /nfs/dbraw/zinc/76/51/82/459765182.db2.gz GKMAOTZQKDIHDC-LBPRGKRZSA-N 1 2 344.381 3.244 20 30 EGEDLO C=C(C)C[NH+]1CCC(N=c2nc(-c3ccccc3C)[nH]s2)CC1 ZINC000527881321 459765967 /nfs/dbraw/zinc/76/59/67/459765967.db2.gz PNIBRAYPOTWYNI-UHFFFAOYSA-N 1 2 328.485 3.388 20 30 EGEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000564098316 459771368 /nfs/dbraw/zinc/77/13/68/459771368.db2.gz LYLKNYSGEKPCTO-NWDGAFQWSA-N 1 2 338.249 3.366 20 30 EGEDLO C[C@@H](CC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000593112813 459776117 /nfs/dbraw/zinc/77/61/17/459776117.db2.gz KTQWXHMGMDGTSZ-FZMZJTMJSA-N 1 2 336.317 3.234 20 30 EGEDLO C[C@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccccc1C(F)(F)F ZINC000565050599 459780492 /nfs/dbraw/zinc/78/04/92/459780492.db2.gz HBDOZEFJRBSPJS-WBMJQRKESA-N 1 2 341.377 3.159 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000574274706 459800466 /nfs/dbraw/zinc/80/04/66/459800466.db2.gz PHLKQOHPLATKJV-STQMWFEESA-N 1 2 347.846 3.182 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000574274706 459800469 /nfs/dbraw/zinc/80/04/69/459800469.db2.gz PHLKQOHPLATKJV-STQMWFEESA-N 1 2 347.846 3.182 20 30 EGEDLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](CCOc1cccc(C#N)c1)C2 ZINC000528593576 459810656 /nfs/dbraw/zinc/81/06/56/459810656.db2.gz NFZKNDYXEIMQQY-UHFFFAOYSA-N 1 2 336.439 3.083 20 30 EGEDLO CC(C)(C)c1ncc2c(n1)CC[N@H+](CCOc1cccc(C#N)c1)C2 ZINC000528593576 459810661 /nfs/dbraw/zinc/81/06/61/459810661.db2.gz NFZKNDYXEIMQQY-UHFFFAOYSA-N 1 2 336.439 3.083 20 30 EGEDLO N#C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)c(Cl)c1 ZINC000597199377 459874098 /nfs/dbraw/zinc/87/40/98/459874098.db2.gz RRWBPIMVNINAON-XHDPSFHLSA-N 1 2 349.221 3.133 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CCCCCC#N)c1ccccc1F ZINC000588273997 459940748 /nfs/dbraw/zinc/94/07/48/459940748.db2.gz NRSOYDLEVXMWCH-KRWDZBQOSA-N 1 2 328.391 3.239 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)CCCCCC#N)c1ccc(F)cc1 ZINC000588266737 459940812 /nfs/dbraw/zinc/94/08/12/459940812.db2.gz OQNYWDPXFGCENA-QGZVFWFLSA-N 1 2 328.391 3.239 20 30 EGEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000598609697 459962499 /nfs/dbraw/zinc/96/24/99/459962499.db2.gz UQINVUBDOTWDIS-CJNGLKHVSA-N 1 2 340.826 3.153 20 30 EGEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000598609697 459962507 /nfs/dbraw/zinc/96/25/07/459962507.db2.gz UQINVUBDOTWDIS-CJNGLKHVSA-N 1 2 340.826 3.153 20 30 EGEDLO CC[N@H+](CC(=O)N1CCC[C@@](C)(C#N)C1)Cc1ccccc1Cl ZINC000588675990 459965871 /nfs/dbraw/zinc/96/58/71/459965871.db2.gz HEBWJUBMWPOQBD-SFHVURJKSA-N 1 2 333.863 3.314 20 30 EGEDLO CC[N@@H+](CC(=O)N1CCC[C@@](C)(C#N)C1)Cc1ccccc1Cl ZINC000588675990 459965876 /nfs/dbraw/zinc/96/58/76/459965876.db2.gz HEBWJUBMWPOQBD-SFHVURJKSA-N 1 2 333.863 3.314 20 30 EGEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000609538783 459978391 /nfs/dbraw/zinc/97/83/91/459978391.db2.gz NTEHQRXSQMEAIX-LJQANCHMSA-N 1 2 342.418 3.146 20 30 EGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 ZINC000597519249 459983700 /nfs/dbraw/zinc/98/37/00/459983700.db2.gz MKJYMSHNWNYIKQ-YYHKSVKZSA-N 1 2 328.460 3.138 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(C(F)F)o3)CC2)cc1 ZINC000598979406 460114152 /nfs/dbraw/zinc/11/41/52/460114152.db2.gz ZGGYFLJMYGKTNQ-UHFFFAOYSA-N 1 2 345.349 3.047 20 30 EGEDLO Cn1c2ccc(CNc3ncc4c(c3C#N)CCC4)cc2[nH+]c1C1CC1 ZINC000576530712 460163808 /nfs/dbraw/zinc/16/38/08/460163808.db2.gz ZKXNMPGHSHZFTI-UHFFFAOYSA-N 1 2 343.434 3.240 20 30 EGEDLO CN(C(=O)C[N@@H+]1CC[C@H]1c1cccc(F)c1)C1(C#N)CCCCC1 ZINC000610505518 460168522 /nfs/dbraw/zinc/16/85/22/460168522.db2.gz NENDZMDBQIFXJN-KRWDZBQOSA-N 1 2 329.419 3.257 20 30 EGEDLO CN(C(=O)C[N@H+]1CC[C@H]1c1cccc(F)c1)C1(C#N)CCCCC1 ZINC000610505518 460168527 /nfs/dbraw/zinc/16/85/27/460168527.db2.gz NENDZMDBQIFXJN-KRWDZBQOSA-N 1 2 329.419 3.257 20 30 EGEDLO COC(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000602881520 460169838 /nfs/dbraw/zinc/16/98/38/460169838.db2.gz JUPWZACHOCDDFD-LJQANCHMSA-N 1 2 336.435 3.362 20 30 EGEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000594286283 460181071 /nfs/dbraw/zinc/18/10/71/460181071.db2.gz RGAHFKHYXFWHOV-TVQRCGJNSA-N 1 2 337.210 3.276 20 30 EGEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000594286283 460181073 /nfs/dbraw/zinc/18/10/73/460181073.db2.gz RGAHFKHYXFWHOV-TVQRCGJNSA-N 1 2 337.210 3.276 20 30 EGEDLO CC(=O)c1c(C)cc(C)c(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)c1C ZINC000599181669 460189952 /nfs/dbraw/zinc/18/99/52/460189952.db2.gz QPKWVMYKUQPYFT-HXUWFJFHSA-N 1 2 341.499 3.480 20 30 EGEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000594346068 460192950 /nfs/dbraw/zinc/19/29/50/460192950.db2.gz CJDFEHCNIDIQEF-CYBMUJFWSA-N 1 2 347.422 3.318 20 30 EGEDLO CC(C)(C#N)CCCN(CC[NH+]1CCOCC1)c1ccccc1F ZINC000599615311 460288514 /nfs/dbraw/zinc/28/85/14/460288514.db2.gz XFQUKKLLZUNYIK-UHFFFAOYSA-N 1 2 333.451 3.294 20 30 EGEDLO N#C[C@H]1C[N@H+](C[C@@H]2CCOc3ccccc32)CCN1Cc1ccccc1 ZINC000611249332 460316467 /nfs/dbraw/zinc/31/64/67/460316467.db2.gz GNZJIFMZXUXPTB-PMACEKPBSA-N 1 2 347.462 3.263 20 30 EGEDLO N#C[C@H]1C[N@@H+](C[C@@H]2CCOc3ccccc32)CCN1Cc1ccccc1 ZINC000611249332 460316471 /nfs/dbraw/zinc/31/64/71/460316471.db2.gz GNZJIFMZXUXPTB-PMACEKPBSA-N 1 2 347.462 3.263 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCS[C@H](C)[C@H]2C)c1C#N ZINC000611348545 460342336 /nfs/dbraw/zinc/34/23/36/460342336.db2.gz ZYGUTTHIIZTWEG-HUUCEWRRSA-N 1 2 326.469 3.378 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCS[C@H](C)[C@H]2C)c1C#N ZINC000611348545 460342337 /nfs/dbraw/zinc/34/23/37/460342337.db2.gz ZYGUTTHIIZTWEG-HUUCEWRRSA-N 1 2 326.469 3.378 20 30 EGEDLO Cc1ccc(C#N)nc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000611399200 460356271 /nfs/dbraw/zinc/35/62/71/460356271.db2.gz YXXYFAUOAPXJBL-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO CC(C)c1cc(N2CCN([C@H](C#N)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000611412630 460358958 /nfs/dbraw/zinc/35/89/58/460358958.db2.gz DZPCNLXFTGYTRY-QGZVFWFLSA-N 1 2 329.492 3.394 20 30 EGEDLO CCC[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccccc1F ZINC000604493297 460434608 /nfs/dbraw/zinc/43/46/08/460434608.db2.gz GGMVLZATGRAZTE-UHFFFAOYSA-N 1 2 339.414 3.226 20 30 EGEDLO CCC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccccc1F ZINC000604493297 460434615 /nfs/dbraw/zinc/43/46/15/460434615.db2.gz GGMVLZATGRAZTE-UHFFFAOYSA-N 1 2 339.414 3.226 20 30 EGEDLO C=CCC(C)(C)CNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000633262576 461028134 /nfs/dbraw/zinc/02/81/34/461028134.db2.gz QZCQZYILRUCTAM-UHFFFAOYSA-N 1 2 348.516 3.036 20 30 EGEDLO C=CC[C@@H]1CCCN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000665797356 461273474 /nfs/dbraw/zinc/27/34/74/461273474.db2.gz BARIVOVZKJCOGV-QGZVFWFLSA-N 1 2 343.471 3.339 20 30 EGEDLO C=CCCn1cc(C[N@H+](C)Cc2cc(Br)cs2)nn1 ZINC000653494954 461673399 /nfs/dbraw/zinc/67/33/99/461673399.db2.gz QIWOPZVLWRJSEJ-UHFFFAOYSA-N 1 2 341.278 3.310 20 30 EGEDLO C=CCCn1cc(C[N@@H+](C)Cc2cc(Br)cs2)nn1 ZINC000653494954 461673405 /nfs/dbraw/zinc/67/34/05/461673405.db2.gz QIWOPZVLWRJSEJ-UHFFFAOYSA-N 1 2 341.278 3.310 20 30 EGEDLO CC(=O)c1ccccc1NC(=O)CCC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000653612900 461759949 /nfs/dbraw/zinc/75/99/49/461759949.db2.gz LMPCCFWTNUYNQF-LJQANCHMSA-N 1 2 327.428 3.234 20 30 EGEDLO CC(=O)c1ccccc1NC(=O)CCC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000653612900 461759960 /nfs/dbraw/zinc/75/99/60/461759960.db2.gz LMPCCFWTNUYNQF-LJQANCHMSA-N 1 2 327.428 3.234 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000644549114 461981289 /nfs/dbraw/zinc/98/12/89/461981289.db2.gz VLIRZZCTYCYLNW-UHFFFAOYSA-N 1 2 330.472 3.250 20 30 EGEDLO C=CCCn1cc(C[NH2+]Cc2cccc(C)c2Br)nn1 ZINC000657444569 462127732 /nfs/dbraw/zinc/12/77/32/462127732.db2.gz DXNBWGWPDBEQQC-UHFFFAOYSA-N 1 2 335.249 3.215 20 30 EGEDLO N#Cc1sccc1N1CC[NH+](CCC(=O)c2ccc(F)cc2)CC1 ZINC000661195805 462145899 /nfs/dbraw/zinc/14/58/99/462145899.db2.gz NBZUQUBAMKXRRI-UHFFFAOYSA-N 1 2 343.427 3.154 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3ncc(C)o3)C2)CCCC1 ZINC000649192080 462434852 /nfs/dbraw/zinc/43/48/52/462434852.db2.gz XKUIVQJTQHSILZ-MRXNPFEDSA-N 1 2 331.460 3.152 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ncc(C)o3)C2)CCCC1 ZINC000649192080 462434858 /nfs/dbraw/zinc/43/48/58/462434858.db2.gz XKUIVQJTQHSILZ-MRXNPFEDSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C(C)[C@@H](NC(=O)NCCCn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000187357885 526754736 /nfs/dbraw/zinc/75/47/36/526754736.db2.gz WYJUDCSHDQQICE-MRXNPFEDSA-N 1 2 334.370 3.168 20 30 EGEDLO C=CC[C@@H](C(=O)N1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000187824920 527014611 /nfs/dbraw/zinc/01/46/11/527014611.db2.gz KDZUSDJSJWEORG-HXUWFJFHSA-N 1 2 335.451 3.086 20 30 EGEDLO CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000172169292 535504295 /nfs/dbraw/zinc/50/42/95/535504295.db2.gz XEKMIKYXLREHGR-OAHLLOKOSA-N 1 2 337.423 3.416 20 30 EGEDLO CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000172169292 535504299 /nfs/dbraw/zinc/50/42/99/535504299.db2.gz XEKMIKYXLREHGR-OAHLLOKOSA-N 1 2 337.423 3.416 20 30 EGEDLO CCc1c[nH+]ccc1NC(=O)CCCOc1ccc(C#N)cc1OC ZINC000265046615 536088691 /nfs/dbraw/zinc/08/86/91/536088691.db2.gz XSYIYNPGVURZNJ-UHFFFAOYSA-N 1 2 339.395 3.322 20 30 EGEDLO C[C@H](CNC(=O)c1ccccc1NC1CCCCC1)[NH+]1CCOCC1 ZINC000329209955 547491323 /nfs/dbraw/zinc/49/13/23/547491323.db2.gz CJLWNPBOTAUMFI-MRXNPFEDSA-N 1 2 345.487 3.457 20 30 EGEDLO O=C(C[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1)NC(=O)NC1CC1 ZINC000329996736 547511610 /nfs/dbraw/zinc/51/16/10/547511610.db2.gz PJEVZBKDEWTUAP-AWEZNQCLSA-N 1 2 342.399 3.388 20 30 EGEDLO O=C(C[N@H+]1CCCC[C@H]1c1nc2ccccc2o1)NC(=O)NC1CC1 ZINC000329996736 547511614 /nfs/dbraw/zinc/51/16/14/547511614.db2.gz PJEVZBKDEWTUAP-AWEZNQCLSA-N 1 2 342.399 3.388 20 30 EGEDLO O=C(NC[C@H]1CCC2(CCCCC2)O1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330106712 547513182 /nfs/dbraw/zinc/51/31/82/547513182.db2.gz LEBIIMWZPMVGCX-MRXNPFEDSA-N 1 2 346.475 3.385 20 30 EGEDLO N#Cc1cccc(C[NH+]2CCN(c3cc(F)ccc3F)CC2)c1F ZINC000352882571 547689429 /nfs/dbraw/zinc/68/94/29/547689429.db2.gz HZTHUWYUQPXADX-UHFFFAOYSA-N 1 2 331.341 3.298 20 30 EGEDLO C#CC[C@@H](NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000365573164 547777182 /nfs/dbraw/zinc/77/71/82/547777182.db2.gz GVMMANYGLFFSIS-QZTJIDSGSA-N 1 2 336.439 3.074 20 30 EGEDLO C=CCOc1cccc(C[N@H+](C)CC(=O)Nc2cc(C)ccn2)c1 ZINC000678224365 549429752 /nfs/dbraw/zinc/42/97/52/549429752.db2.gz BWKSIHMIJWMRJK-UHFFFAOYSA-N 1 2 325.412 3.025 20 30 EGEDLO C=CCOc1cccc(C[N@@H+](C)CC(=O)Nc2cc(C)ccn2)c1 ZINC000678224365 549429754 /nfs/dbraw/zinc/42/97/54/549429754.db2.gz BWKSIHMIJWMRJK-UHFFFAOYSA-N 1 2 325.412 3.025 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000730095523 574919281 /nfs/dbraw/zinc/91/92/81/574919281.db2.gz JFABVBUUVGQQRI-ZDUSSCGKSA-N 1 2 330.737 3.395 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000730095523 574919283 /nfs/dbraw/zinc/91/92/83/574919283.db2.gz JFABVBUUVGQQRI-ZDUSSCGKSA-N 1 2 330.737 3.395 20 30 EGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cccc(N2CCOC2=O)c1 ZINC000730147410 574925209 /nfs/dbraw/zinc/92/52/09/574925209.db2.gz DQINXGSKBVQFPJ-UHFFFAOYSA-N 1 2 346.390 3.449 20 30 EGEDLO CC(C)N1c2ccccc2C(=NNc2cc[nH+]c3ccccc23)C1=O ZINC000730147150 574925236 /nfs/dbraw/zinc/92/52/36/574925236.db2.gz LBZMDLVKAFULRK-UHFFFAOYSA-N 1 2 330.391 3.228 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000730275299 574965211 /nfs/dbraw/zinc/96/52/11/574965211.db2.gz YUMNLGQNLCTNDS-KRWDZBQOSA-N 1 2 325.437 3.155 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000730275299 574965212 /nfs/dbraw/zinc/96/52/12/574965212.db2.gz YUMNLGQNLCTNDS-KRWDZBQOSA-N 1 2 325.437 3.155 20 30 EGEDLO C[C@H]1CC[C@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CC1 ZINC000731063400 575048308 /nfs/dbraw/zinc/04/83/08/575048308.db2.gz LYMOUYVVHXNJCB-HDJSIYSDSA-N 1 2 338.455 3.225 20 30 EGEDLO C=CC[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccncc1 ZINC000734666195 575534487 /nfs/dbraw/zinc/53/44/87/575534487.db2.gz VSZLXSWCNSWSTD-LJQANCHMSA-N 1 2 347.422 3.384 20 30 EGEDLO C#CCC[NH+]1CCN(C(=O)C2(Sc3ccccc3)CCCC2)CC1 ZINC000735040546 575590397 /nfs/dbraw/zinc/59/03/97/575590397.db2.gz XIRJGOIESGUZFJ-UHFFFAOYSA-N 1 2 342.508 3.259 20 30 EGEDLO C=CC[N@@H+](CCc1ccccc1)CN1C(=O)C[C@](C)(C(C)C)C1=O ZINC000735070944 575596177 /nfs/dbraw/zinc/59/61/77/575596177.db2.gz VACRWHUZAKDHMW-HXUWFJFHSA-N 1 2 328.456 3.096 20 30 EGEDLO C=CC[N@H+](CCc1ccccc1)CN1C(=O)C[C@](C)(C(C)C)C1=O ZINC000735070944 575596180 /nfs/dbraw/zinc/59/61/80/575596180.db2.gz VACRWHUZAKDHMW-HXUWFJFHSA-N 1 2 328.456 3.096 20 30 EGEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(F)cc1C#N ZINC000735426744 575659988 /nfs/dbraw/zinc/65/99/88/575659988.db2.gz VKQFXFVSXPNNJE-UHFFFAOYSA-N 1 2 348.385 3.066 20 30 EGEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(F)cc1C#N ZINC000735426744 575659991 /nfs/dbraw/zinc/65/99/91/575659991.db2.gz VKQFXFVSXPNNJE-UHFFFAOYSA-N 1 2 348.385 3.066 20 30 EGEDLO C[C@H](C(=O)OCc1cc(C#N)ccc1F)[N@@H+]1CCc2ccccc2C1 ZINC000740986268 576643731 /nfs/dbraw/zinc/64/37/31/576643731.db2.gz BRQLVABPQNJMMU-CQSZACIVSA-N 1 2 338.382 3.187 20 30 EGEDLO C[C@H](C(=O)OCc1cc(C#N)ccc1F)[N@H+]1CCc2ccccc2C1 ZINC000740986268 576643732 /nfs/dbraw/zinc/64/37/32/576643732.db2.gz BRQLVABPQNJMMU-CQSZACIVSA-N 1 2 338.382 3.187 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2C[C@H](C)C[C@@H]2c2ccccc2F)c1=S ZINC000743375166 576807478 /nfs/dbraw/zinc/80/74/78/576807478.db2.gz TWFBDNAANCXTSI-IUODEOHRSA-N 1 2 333.436 3.175 20 30 EGEDLO C=CCn1nnn(C[N@H+]2C[C@H](C)C[C@@H]2c2ccccc2F)c1=S ZINC000743375166 576807479 /nfs/dbraw/zinc/80/74/79/576807479.db2.gz TWFBDNAANCXTSI-IUODEOHRSA-N 1 2 333.436 3.175 20 30 EGEDLO C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1cccc(C#N)c1 ZINC000743564706 576812169 /nfs/dbraw/zinc/81/21/69/576812169.db2.gz HHYDBBRXPNOLKN-HNNXBMFYSA-N 1 2 345.406 3.304 20 30 EGEDLO CC[N@H+](C)[C@@H](C(=O)OCc1cc(C#N)ccc1F)c1ccccc1 ZINC000745101681 576841169 /nfs/dbraw/zinc/84/11/69/576841169.db2.gz RYKXXVPYNQXYPS-GOSISDBHSA-N 1 2 326.371 3.434 20 30 EGEDLO CC[N@@H+](C)[C@@H](C(=O)OCc1cc(C#N)ccc1F)c1ccccc1 ZINC000745101681 576841170 /nfs/dbraw/zinc/84/11/70/576841170.db2.gz RYKXXVPYNQXYPS-GOSISDBHSA-N 1 2 326.371 3.434 20 30 EGEDLO CCc1cc2c(C[N@H+](CCC#N)CC3CC3)cc(=O)oc2cc1O ZINC000081044424 1292634508 /nfs/dbraw/zinc/63/45/08/1292634508.db2.gz XHPKQORLWUFNCB-UHFFFAOYSA-N 1 2 326.396 3.187 20 30 EGEDLO CCc1cc2c(C[N@@H+](CCC#N)CC3CC3)cc(=O)oc2cc1O ZINC000081044424 1292634513 /nfs/dbraw/zinc/63/45/13/1292634513.db2.gz XHPKQORLWUFNCB-UHFFFAOYSA-N 1 2 326.396 3.187 20 30 EGEDLO Cc1ccccc1[C@@H]1CC(=O)N(C[N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC000102885001 1292984168 /nfs/dbraw/zinc/98/41/68/1292984168.db2.gz XBSUXVXLKMAUSK-LJQANCHMSA-N 1 2 333.435 3.272 20 30 EGEDLO Cc1ccccc1[C@@H]1CC(=O)N(C[N@H+](C)Cc2cccc(C#N)c2)C1 ZINC000102885001 1292984177 /nfs/dbraw/zinc/98/41/77/1292984177.db2.gz XBSUXVXLKMAUSK-LJQANCHMSA-N 1 2 333.435 3.272 20 30 EGEDLO Cc1ccc(C[N@@H+](C)Cc2nc3ccccc3c(=O)n2CC#N)cc1C ZINC000832633779 1293028707 /nfs/dbraw/zinc/02/87/07/1293028707.db2.gz GXWAKTOUDPPQIY-UHFFFAOYSA-N 1 2 346.434 3.169 20 30 EGEDLO Cc1ccc(C[N@H+](C)Cc2nc3ccccc3c(=O)n2CC#N)cc1C ZINC000832633779 1293028717 /nfs/dbraw/zinc/02/87/17/1293028717.db2.gz GXWAKTOUDPPQIY-UHFFFAOYSA-N 1 2 346.434 3.169 20 30 EGEDLO NC(=[NH+]OCc1ccccn1)c1ccc(OCc2ccccc2)cc1 ZINC000120199804 1293310383 /nfs/dbraw/zinc/31/03/83/1293310383.db2.gz POAMCAMOBRWFRH-UHFFFAOYSA-N 1 2 333.391 3.498 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000154221049 1294046371 /nfs/dbraw/zinc/04/63/71/1294046371.db2.gz FTNDEBVGUOWNGC-VBZSBEMESA-N 1 2 339.395 3.240 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000154221049 1294046376 /nfs/dbraw/zinc/04/63/76/1294046376.db2.gz FTNDEBVGUOWNGC-VBZSBEMESA-N 1 2 339.395 3.240 20 30 EGEDLO COc1ccc(C[NH2+]Cc2nc(C(F)(F)F)cs2)cc1C#N ZINC000174422010 1294500132 /nfs/dbraw/zinc/50/01/32/1294500132.db2.gz BFXADKOYTSQZBM-UHFFFAOYSA-N 1 2 327.331 3.332 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2CC[C@@H](C)[C@H]2CC)c1=S ZINC000184990096 1295233789 /nfs/dbraw/zinc/23/37/89/1295233789.db2.gz FNAVBTKYPNVYMK-UKRRQHHQSA-N 1 2 344.488 3.135 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2CC[C@@H](C)[C@H]2CC)c1=S ZINC000184990096 1295233799 /nfs/dbraw/zinc/23/37/99/1295233799.db2.gz FNAVBTKYPNVYMK-UKRRQHHQSA-N 1 2 344.488 3.135 20 30 EGEDLO C#CCOc1ccccc1CNc1[nH+]c2ccccc2n1CCOC ZINC000185844463 1295289520 /nfs/dbraw/zinc/28/95/20/1295289520.db2.gz CIIFBKPNJRIRQG-UHFFFAOYSA-N 1 2 335.407 3.307 20 30 EGEDLO O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000190792928 1295613285 /nfs/dbraw/zinc/61/32/85/1295613285.db2.gz MKHBHVVIHIGLMS-UHFFFAOYSA-N 1 2 347.340 3.117 20 30 EGEDLO COc1cccc([C@H]2CN(C(=O)CC3(C#N)CCCCC3)CC[NH2+]2)c1 ZINC000870154208 1295706378 /nfs/dbraw/zinc/70/63/78/1295706378.db2.gz GZMDQQDHOQZZCH-GOSISDBHSA-N 1 2 341.455 3.032 20 30 EGEDLO Cc1cccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC000586066189 1298049158 /nfs/dbraw/zinc/04/91/58/1298049158.db2.gz RIZIAXMWUZZWQF-FQEVSTJZSA-N 1 2 333.435 3.261 20 30 EGEDLO Cc1cccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC000586066189 1298049170 /nfs/dbraw/zinc/04/91/70/1298049170.db2.gz RIZIAXMWUZZWQF-FQEVSTJZSA-N 1 2 333.435 3.261 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)O[NH+]=C(N)Cc1ccccc1Cl ZINC000748776239 1299077260 /nfs/dbraw/zinc/07/72/60/1299077260.db2.gz CNGRCMRBEURXTJ-ZDUSSCGKSA-N 1 2 337.851 3.194 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000750186557 1299355482 /nfs/dbraw/zinc/35/54/82/1299355482.db2.gz QBMRKNJRVCHOMV-OLZOCXBDSA-N 1 2 345.281 3.369 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000750186557 1299355491 /nfs/dbraw/zinc/35/54/91/1299355491.db2.gz QBMRKNJRVCHOMV-OLZOCXBDSA-N 1 2 345.281 3.369 20 30 EGEDLO COc1ccc(O)c(/C=[NH+]/C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000750949987 1299485018 /nfs/dbraw/zinc/48/50/18/1299485018.db2.gz LVMUHPAKWOLVNN-PVGUKEHMSA-N 1 2 348.443 3.467 20 30 EGEDLO NC(=[NH+]OCc1cc(-c2ccccc2)no1)c1ccc2c(c1)CCO2 ZINC000753830460 1300026181 /nfs/dbraw/zinc/02/61/81/1300026181.db2.gz SANHAPWUVKTFCF-UHFFFAOYSA-N 1 2 335.363 3.114 20 30 EGEDLO Fc1cccc(Cl)c1C[NH+]1CCC(=NNC2CCOCC2)CC1 ZINC000757594162 1300689581 /nfs/dbraw/zinc/68/95/81/1300689581.db2.gz WCMASMBMNWZHAN-UHFFFAOYSA-N 1 2 339.842 3.200 20 30 EGEDLO Cc1ccn(C[N@@H+]2C[C@@H](C)C[C@H]2c2ccccc2F)c(=O)c1C#N ZINC000758222629 1300820659 /nfs/dbraw/zinc/82/06/59/1300820659.db2.gz GEPATGBWPHGBBR-UGSOOPFHSA-N 1 2 325.387 3.208 20 30 EGEDLO Cc1ccn(C[N@H+]2C[C@@H](C)C[C@H]2c2ccccc2F)c(=O)c1C#N ZINC000758222629 1300820675 /nfs/dbraw/zinc/82/06/75/1300820675.db2.gz GEPATGBWPHGBBR-UGSOOPFHSA-N 1 2 325.387 3.208 20 30 EGEDLO N#Cc1cccn(C[N@@H+]2Cc3ccccc3C[C@@H]2c2ccccc2)c1=O ZINC000758222680 1300820703 /nfs/dbraw/zinc/82/07/03/1300820703.db2.gz HHDCNPLQKQAUFA-OAQYLSRUSA-N 1 2 341.414 3.477 20 30 EGEDLO N#Cc1cccn(C[N@H+]2Cc3ccccc3C[C@@H]2c2ccccc2)c1=O ZINC000758222680 1300820720 /nfs/dbraw/zinc/82/07/20/1300820720.db2.gz HHDCNPLQKQAUFA-OAQYLSRUSA-N 1 2 341.414 3.477 20 30 EGEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@@H]2C2CC2)nc1-c1ccccn1 ZINC000764971975 1302178619 /nfs/dbraw/zinc/17/86/19/1302178619.db2.gz QAVBYVFRWQFIGM-MRXNPFEDSA-N 1 2 341.484 3.494 20 30 EGEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@@H]2C2CC2)nc1-c1ccccn1 ZINC000764971975 1302178621 /nfs/dbraw/zinc/17/86/21/1302178621.db2.gz QAVBYVFRWQFIGM-MRXNPFEDSA-N 1 2 341.484 3.494 20 30 EGEDLO C#CCOc1ccccc1C[N@H+](C)Cc1c(C)nc2sccn12 ZINC000769307414 1303089954 /nfs/dbraw/zinc/08/99/54/1303089954.db2.gz HXKOMVSKRFUENE-UHFFFAOYSA-N 1 2 325.437 3.348 20 30 EGEDLO C#CCOc1ccccc1C[N@@H+](C)Cc1c(C)nc2sccn12 ZINC000769307414 1303089959 /nfs/dbraw/zinc/08/99/59/1303089959.db2.gz HXKOMVSKRFUENE-UHFFFAOYSA-N 1 2 325.437 3.348 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000772328463 1303520213 /nfs/dbraw/zinc/52/02/13/1303520213.db2.gz DRRRQNVUUKMVOP-LSDHHAIUSA-N 1 2 329.444 3.388 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000772328463 1303520218 /nfs/dbraw/zinc/52/02/18/1303520218.db2.gz DRRRQNVUUKMVOP-LSDHHAIUSA-N 1 2 329.444 3.388 20 30 EGEDLO COc1ccc(N2CC[NH+](Cc3cccc(C#N)c3F)CC2)cc1F ZINC000774660612 1303843209 /nfs/dbraw/zinc/84/32/09/1303843209.db2.gz VNGGCZPULMCMDO-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO CN(CCC#N)c1ccc(C[NH2+]Cc2nnc(-c3ccccc3)[nH]2)cc1 ZINC000774814851 1303862696 /nfs/dbraw/zinc/86/26/96/1303862696.db2.gz ODRQTUGQXRIKQF-UHFFFAOYSA-N 1 2 346.438 3.111 20 30 EGEDLO COC[C@@H](C)NN=C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000777891287 1304361711 /nfs/dbraw/zinc/36/17/11/1304361711.db2.gz NTZLMFPBUITXDP-GFCCVEGCSA-N 1 2 327.831 3.055 20 30 EGEDLO C=CC[N@@H+](C)CC(=O)c1cc(C)n(Cc2ccc3c(c2)OCO3)c1C ZINC000778167940 1304409134 /nfs/dbraw/zinc/40/91/34/1304409134.db2.gz VIGWYXXWFIIGCC-UHFFFAOYSA-N 1 2 340.423 3.182 20 30 EGEDLO C=CC[N@H+](C)CC(=O)c1cc(C)n(Cc2ccc3c(c2)OCO3)c1C ZINC000778167940 1304409137 /nfs/dbraw/zinc/40/91/37/1304409137.db2.gz VIGWYXXWFIIGCC-UHFFFAOYSA-N 1 2 340.423 3.182 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000779397401 1304566529 /nfs/dbraw/zinc/56/65/29/1304566529.db2.gz WBKZHZFAGMMSST-WMLDXEAASA-N 1 2 340.427 3.017 20 30 EGEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1C[C@](C)(C2CCCC2)CC1=O ZINC000780424421 1304690043 /nfs/dbraw/zinc/69/00/43/1304690043.db2.gz CBVQSXDTXXNNCO-HXUWFJFHSA-N 1 2 325.456 3.376 20 30 EGEDLO C[N@H+](Cc1cccc(C#N)c1)CN1C[C@](C)(C2CCCC2)CC1=O ZINC000780424421 1304690048 /nfs/dbraw/zinc/69/00/48/1304690048.db2.gz CBVQSXDTXXNNCO-HXUWFJFHSA-N 1 2 325.456 3.376 20 30 EGEDLO C=CCn1nnn(C[N@H+]2C[C@H](C)C[C@@H]2c2cccc(OC)c2)c1=S ZINC000784009130 1305175393 /nfs/dbraw/zinc/17/53/93/1305175393.db2.gz KHBMTDPSPFTEDW-CZUORRHYSA-N 1 2 345.472 3.044 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccc(OC)c2)c1=S ZINC000784009130 1305175396 /nfs/dbraw/zinc/17/53/96/1305175396.db2.gz KHBMTDPSPFTEDW-CZUORRHYSA-N 1 2 345.472 3.044 20 30 EGEDLO C[C@H]1Cc2cc(C[N@@H+]3CCO[C@H](c4cccc(C#N)c4)C3)ccc2O1 ZINC000892245003 1305292155 /nfs/dbraw/zinc/29/21/55/1305292155.db2.gz OKIPLZVIZCUQEG-BTYIYWSLSA-N 1 2 334.419 3.455 20 30 EGEDLO C[C@H]1Cc2cc(C[N@H+]3CCO[C@H](c4cccc(C#N)c4)C3)ccc2O1 ZINC000892245003 1305292158 /nfs/dbraw/zinc/29/21/58/1305292158.db2.gz OKIPLZVIZCUQEG-BTYIYWSLSA-N 1 2 334.419 3.455 20 30 EGEDLO NC(=[NH+]OCC[C@H]1CCCO1)c1ccc(OCc2ccccc2)cc1 ZINC000786741166 1305621912 /nfs/dbraw/zinc/62/19/12/1305621912.db2.gz AQZUAZOIXJVHAR-GOSISDBHSA-N 1 2 340.423 3.472 20 30 EGEDLO CCN(C)c1ccc(C=[NH+]Nc2ccc(Br)nc2)cn1 ZINC000790164697 1306270480 /nfs/dbraw/zinc/27/04/80/1306270480.db2.gz VKJSCTAIRPQPOU-UHFFFAOYSA-N 1 2 334.221 3.141 20 30 EGEDLO CC(C)CC[N@H+](CCC#N)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000790294388 1306291783 /nfs/dbraw/zinc/29/17/83/1306291783.db2.gz MZZLRRJBRCYVNY-IBGZPJMESA-N 1 2 327.472 3.439 20 30 EGEDLO CC(C)CC[N@@H+](CCC#N)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000790294388 1306291792 /nfs/dbraw/zinc/29/17/92/1306291792.db2.gz MZZLRRJBRCYVNY-IBGZPJMESA-N 1 2 327.472 3.439 20 30 EGEDLO C[C@H](C#N)Oc1ccc(C[N@H+](CCO)Cc2cccnc2Cl)cc1 ZINC000793365838 1309355333 /nfs/dbraw/zinc/35/53/33/1309355333.db2.gz KZODJUALHVLFAD-CQSZACIVSA-N 1 2 345.830 3.020 20 30 EGEDLO C[C@H](C#N)Oc1ccc(C[N@@H+](CCO)Cc2cccnc2Cl)cc1 ZINC000793365838 1309355338 /nfs/dbraw/zinc/35/53/38/1309355338.db2.gz KZODJUALHVLFAD-CQSZACIVSA-N 1 2 345.830 3.020 20 30 EGEDLO N#Cc1c(=O)n(C[N@@H+]2CCC[C@H]2c2ccsc2)cc2c1CCCC2 ZINC000793485971 1309382158 /nfs/dbraw/zinc/38/21/58/1309382158.db2.gz GUIYQBWCNUWTKZ-SFHVURJKSA-N 1 2 339.464 3.455 20 30 EGEDLO N#Cc1c(=O)n(C[N@H+]2CCC[C@H]2c2ccsc2)cc2c1CCCC2 ZINC000793485971 1309382167 /nfs/dbraw/zinc/38/21/67/1309382167.db2.gz GUIYQBWCNUWTKZ-SFHVURJKSA-N 1 2 339.464 3.455 20 30 EGEDLO Cc1cc(F)ccc1C1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000793548349 1309402154 /nfs/dbraw/zinc/40/21/54/1309402154.db2.gz XFGGODIWEYATFH-UHFFFAOYSA-N 1 2 325.387 3.005 20 30 EGEDLO Cn1c(CC#N)nn(C[N@@H+]2CCC[C@](C)(c3ccccc3)C2)c1=S ZINC000794628147 1309559758 /nfs/dbraw/zinc/55/97/58/1309559758.db2.gz ILVUDBZOSWKNJF-SFHVURJKSA-N 1 2 341.484 3.028 20 30 EGEDLO Cn1c(CC#N)nn(C[N@H+]2CCC[C@](C)(c3ccccc3)C2)c1=S ZINC000794628147 1309559763 /nfs/dbraw/zinc/55/97/63/1309559763.db2.gz ILVUDBZOSWKNJF-SFHVURJKSA-N 1 2 341.484 3.028 20 30 EGEDLO Cn1c(CC#N)nn(C[N@@H+]2CCCC3(C2)CCCCCC3)c1=S ZINC000794636298 1309562303 /nfs/dbraw/zinc/56/23/03/1309562303.db2.gz HCOQBYRYQRZVFD-UHFFFAOYSA-N 1 2 333.505 3.411 20 30 EGEDLO Cn1c(CC#N)nn(C[N@H+]2CCCC3(C2)CCCCCC3)c1=S ZINC000794636298 1309562311 /nfs/dbraw/zinc/56/23/11/1309562311.db2.gz HCOQBYRYQRZVFD-UHFFFAOYSA-N 1 2 333.505 3.411 20 30 EGEDLO C[NH+](C)c1ccc(N2CCC(N=Nc3cccc(F)n3)CC2)cc1 ZINC000795010016 1309649163 /nfs/dbraw/zinc/64/91/63/1309649163.db2.gz SVGKYYDVLQENPN-UHFFFAOYSA-N 1 2 327.407 3.355 20 30 EGEDLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(F)c(C#N)c2)n1 ZINC000795471411 1309760455 /nfs/dbraw/zinc/76/04/55/1309760455.db2.gz BEDDHMCIBMNYDI-UHFFFAOYSA-N 1 2 332.404 3.248 20 30 EGEDLO Cc1cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(C)s1 ZINC000798274640 1310332718 /nfs/dbraw/zinc/33/27/18/1310332718.db2.gz HVIBFWUUGFVGFB-LSDHHAIUSA-N 1 2 335.473 3.214 20 30 EGEDLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(C)c(C#N)c2)n1 ZINC000799575318 1310578849 /nfs/dbraw/zinc/57/88/49/1310578849.db2.gz YXHLNAHNFOXZGB-UHFFFAOYSA-N 1 2 328.441 3.417 20 30 EGEDLO CCCCCCCS(=O)(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000799778924 1310614467 /nfs/dbraw/zinc/61/44/67/1310614467.db2.gz KIIPTDIKFZBRKI-UHFFFAOYSA-N 1 2 337.489 3.075 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NCCCNC(=O)c1occc1C ZINC000820665228 1319932063 /nfs/dbraw/zinc/93/20/63/1319932063.db2.gz VZVLGFQDBOLTCR-UHFFFAOYSA-N 1 2 341.411 3.007 20 30 EGEDLO C#C[C@H](C)[N@H+](C)Cc1cc(Br)c(O)c(Br)c1 ZINC000825710458 1320357781 /nfs/dbraw/zinc/35/77/81/1320357781.db2.gz QEYLIWFISZQJMS-QMMMGPOBSA-N 1 2 347.050 3.371 20 30 EGEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(Br)c(O)c(Br)c1 ZINC000825710458 1320357787 /nfs/dbraw/zinc/35/77/87/1320357787.db2.gz QEYLIWFISZQJMS-QMMMGPOBSA-N 1 2 347.050 3.371 20 30 EGEDLO O=C(C#CC1CC1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000837342111 1320600433 /nfs/dbraw/zinc/60/04/33/1320600433.db2.gz PMEDPKZNEVSBDF-INIZCTEOSA-N 1 2 334.822 3.146 20 30 EGEDLO C[C@@H](CCc1ccc2c(c1)OCO2)NN=Cc1cccc2[nH+]ccn21 ZINC000802714337 1317028417 /nfs/dbraw/zinc/02/84/17/1317028417.db2.gz KRKGLIHTHLCGLS-AWEZNQCLSA-N 1 2 336.395 3.008 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000957311232 1317275319 /nfs/dbraw/zinc/27/53/19/1317275319.db2.gz DKUHRHILJZRPML-UHFFFAOYSA-N 1 2 326.362 3.428 20 30 EGEDLO OC1CCN(c2ccc(C=[NH+]Nc3cc(F)ccc3F)cc2)CC1 ZINC000901319641 1317404840 /nfs/dbraw/zinc/40/48/40/1317404840.db2.gz BTDIIMJSZQUXRY-UHFFFAOYSA-N 1 2 331.366 3.372 20 30 EGEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1ccc(N2CCOCC2)cc1 ZINC000901417232 1317423247 /nfs/dbraw/zinc/42/32/47/1317423247.db2.gz IVPLEQOEWGJNME-FPLPWBNLSA-N 1 2 325.412 3.197 20 30 EGEDLO C=CCCCCCCNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000806358112 1317483330 /nfs/dbraw/zinc/48/33/30/1317483330.db2.gz NXIXGEWJABHFSF-UHFFFAOYSA-N 1 2 346.475 3.485 20 30 EGEDLO C#CC[N@H+](Cc1cnnn1-c1ccccc1)[C@H]1CCc2ccccc21 ZINC000808711619 1317720653 /nfs/dbraw/zinc/72/06/53/1317720653.db2.gz MVWSKQPDJPWPBC-NRFANRHFSA-N 1 2 328.419 3.390 20 30 EGEDLO C#CC[N@@H+](Cc1cnnn1-c1ccccc1)[C@H]1CCc2ccccc21 ZINC000808711619 1317720658 /nfs/dbraw/zinc/72/06/58/1317720658.db2.gz MVWSKQPDJPWPBC-NRFANRHFSA-N 1 2 328.419 3.390 20 30 EGEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2ccccc2F)cc1 ZINC000905490642 1317962775 /nfs/dbraw/zinc/96/27/75/1317962775.db2.gz JZLJHVVHJOEIIM-INIZCTEOSA-N 1 2 343.402 3.236 20 30 EGEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2ccccc2F)cc1 ZINC000905490642 1317962782 /nfs/dbraw/zinc/96/27/82/1317962782.db2.gz JZLJHVVHJOEIIM-INIZCTEOSA-N 1 2 343.402 3.236 20 30 EGEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2ccc(F)cc2)cc1 ZINC000905557896 1317967773 /nfs/dbraw/zinc/96/77/73/1317967773.db2.gz QXLYBPVQPFDTON-KRWDZBQOSA-N 1 2 343.402 3.236 20 30 EGEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2ccc(F)cc2)cc1 ZINC000905557896 1317967781 /nfs/dbraw/zinc/96/77/81/1317967781.db2.gz QXLYBPVQPFDTON-KRWDZBQOSA-N 1 2 343.402 3.236 20 30 EGEDLO CC1CC(C#N)(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)C1 ZINC000907816508 1318265139 /nfs/dbraw/zinc/26/51/39/1318265139.db2.gz VFNKAMKWLGREFA-LXDLAPCHSA-N 1 2 340.471 3.371 20 30 EGEDLO CC1CC(C#N)(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)C1 ZINC000907816508 1318265146 /nfs/dbraw/zinc/26/51/46/1318265146.db2.gz VFNKAMKWLGREFA-LXDLAPCHSA-N 1 2 340.471 3.371 20 30 EGEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1c(C)cc(C)[nH+]c1C ZINC000908146017 1318305386 /nfs/dbraw/zinc/30/53/86/1318305386.db2.gz BNBSAYZNKGCBLN-UHFFFAOYSA-N 1 2 328.412 3.311 20 30 EGEDLO CC(N=Nc1ccccc1F)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000812460562 1318397048 /nfs/dbraw/zinc/39/70/48/1318397048.db2.gz UFZTWYZUSXACDL-UHFFFAOYSA-N 1 2 343.402 3.200 20 30 EGEDLO CC(=NNc1ccccc1F)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000812460562 1318397054 /nfs/dbraw/zinc/39/70/54/1318397054.db2.gz UFZTWYZUSXACDL-UHFFFAOYSA-N 1 2 343.402 3.200 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCN1C(=O)/C=C\C1CC1 ZINC000960510180 1318623009 /nfs/dbraw/zinc/62/30/09/1318623009.db2.gz UPDAHZJANRLIRQ-WMHRWZGDSA-N 1 2 341.430 3.086 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCN1C(=O)/C=C\C1CC1 ZINC000960510180 1318623020 /nfs/dbraw/zinc/62/30/20/1318623020.db2.gz UPDAHZJANRLIRQ-WMHRWZGDSA-N 1 2 341.430 3.086 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nccs1 ZINC000960649683 1318769919 /nfs/dbraw/zinc/76/99/19/1318769919.db2.gz OCBQTTGCHCWJEN-CYBMUJFWSA-N 1 2 341.908 3.345 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nccs1 ZINC000960649683 1318769927 /nfs/dbraw/zinc/76/99/27/1318769927.db2.gz OCBQTTGCHCWJEN-CYBMUJFWSA-N 1 2 341.908 3.345 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)[C@H](C)c1ncccn1 ZINC000960786842 1318888146 /nfs/dbraw/zinc/88/81/46/1318888146.db2.gz LWXVHTQMOJSLES-CVEARBPZSA-N 1 2 330.476 3.063 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)[C@H](C)c1ncccn1 ZINC000960786842 1318888156 /nfs/dbraw/zinc/88/81/56/1318888156.db2.gz LWXVHTQMOJSLES-CVEARBPZSA-N 1 2 330.476 3.063 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)[C@H](C)c2ncccn2)CC1 ZINC000960835642 1318964680 /nfs/dbraw/zinc/96/46/80/1318964680.db2.gz ZFFFPGSJLMHPGA-SJLPKXTDSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)[C@H](C)c2ncccn2)CC1 ZINC000960835642 1318964684 /nfs/dbraw/zinc/96/46/84/1318964684.db2.gz ZFFFPGSJLMHPGA-SJLPKXTDSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)[C@@H](C)c2nc(C)no2)CC1 ZINC000960834724 1318965013 /nfs/dbraw/zinc/96/50/13/1318965013.db2.gz VZVQQCBWOBROEN-WMLDXEAASA-N 1 2 346.475 3.108 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)[C@@H](C)c2nc(C)no2)CC1 ZINC000960834724 1318965026 /nfs/dbraw/zinc/96/50/26/1318965026.db2.gz VZVQQCBWOBROEN-WMLDXEAASA-N 1 2 346.475 3.108 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC000960848244 1318986235 /nfs/dbraw/zinc/98/62/35/1318986235.db2.gz TZSOCXTUIMTZSN-INIZCTEOSA-N 1 2 343.471 3.331 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC000960848244 1318986243 /nfs/dbraw/zinc/98/62/43/1318986243.db2.gz TZSOCXTUIMTZSN-INIZCTEOSA-N 1 2 343.471 3.331 20 30 EGEDLO N#Cc1cccc(COc2cccc(NC(=O)Cc3[nH]cc[nH+]3)c2)c1 ZINC000816870689 1319237714 /nfs/dbraw/zinc/23/77/14/1319237714.db2.gz KNUQNQKFFHFFMU-UHFFFAOYSA-N 1 2 332.363 3.042 20 30 EGEDLO C=C1CCN(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000930227607 1328816354 /nfs/dbraw/zinc/81/63/54/1328816354.db2.gz JWVDHXSUYSGOOU-INIZCTEOSA-N 1 2 329.444 3.264 20 30 EGEDLO C#CCCCCCC(=O)OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000817186450 1319290295 /nfs/dbraw/zinc/29/02/95/1319290295.db2.gz WXWLDENQUINJQZ-UHFFFAOYSA-N 1 2 329.440 3.146 20 30 EGEDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)s1 ZINC000818232073 1319524262 /nfs/dbraw/zinc/52/42/62/1319524262.db2.gz PURIQBVEUJTZQY-VXGBXAGGSA-N 1 2 345.424 3.071 20 30 EGEDLO FC(F)(F)c1ccc(CN[NH+]=Cc2cnc(N3CCCC3)nc2)cc1 ZINC000915972081 1319575354 /nfs/dbraw/zinc/57/53/54/1319575354.db2.gz HLQAHXDUPGBAQO-UHFFFAOYSA-N 1 2 349.360 3.219 20 30 EGEDLO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000916622792 1319685885 /nfs/dbraw/zinc/68/58/85/1319685885.db2.gz LOCDRXJCGRMXGH-MJBXVCDLSA-N 1 2 327.453 3.450 20 30 EGEDLO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000916622792 1319685894 /nfs/dbraw/zinc/68/58/94/1319685894.db2.gz LOCDRXJCGRMXGH-MJBXVCDLSA-N 1 2 327.453 3.450 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@](C)(O)c1cc(C)oc1C ZINC000820663626 1319930762 /nfs/dbraw/zinc/93/07/62/1319930762.db2.gz BPVFMLGXXVFIMU-IBGZPJMESA-N 1 2 328.412 3.403 20 30 EGEDLO CN(CCC#N)c1ccc(C[NH2+]Cc2nnc(C3CC3)s2)cc1 ZINC000840973340 1321191092 /nfs/dbraw/zinc/19/10/92/1321191092.db2.gz JWFSGBADEZFJHR-UHFFFAOYSA-N 1 2 327.457 3.055 20 30 EGEDLO C[C@@H]1C[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)CC2(CCCC2)O1 ZINC000842644848 1321412097 /nfs/dbraw/zinc/41/20/97/1321412097.db2.gz IMTOGCQAUKCNSX-MRXNPFEDSA-N 1 2 336.439 3.413 20 30 EGEDLO C[C@@H]1C[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)CC2(CCCC2)O1 ZINC000842644848 1321412099 /nfs/dbraw/zinc/41/20/99/1321412099.db2.gz IMTOGCQAUKCNSX-MRXNPFEDSA-N 1 2 336.439 3.413 20 30 EGEDLO Cc1nn2c([nH]c3ccccc3c2=O)c1C=[NH+]N[C@@H](C)c1ccccc1 ZINC000920382788 1322170066 /nfs/dbraw/zinc/17/00/66/1322170066.db2.gz OOYBSAZCRQEBNA-ZDUSSCGKSA-N 1 2 345.406 3.169 20 30 EGEDLO Cc1cc(-n2c(C)cc(C(=O)C[N@@H+]3CCC[C@@H](CC#N)C3)c2C)no1 ZINC000852319542 1323179081 /nfs/dbraw/zinc/17/90/81/1323179081.db2.gz OOGNYCJLYKGNDA-INIZCTEOSA-N 1 2 340.427 3.199 20 30 EGEDLO Cc1cc(-n2c(C)cc(C(=O)C[N@H+]3CCC[C@@H](CC#N)C3)c2C)no1 ZINC000852319542 1323179085 /nfs/dbraw/zinc/17/90/85/1323179085.db2.gz OOGNYCJLYKGNDA-INIZCTEOSA-N 1 2 340.427 3.199 20 30 EGEDLO C#CCC[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Cl ZINC000852752613 1323236253 /nfs/dbraw/zinc/23/62/53/1323236253.db2.gz FBAXUJLZNCEWPE-UHFFFAOYSA-N 1 2 331.847 3.306 20 30 EGEDLO C#CCC[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Cl ZINC000852752613 1323236261 /nfs/dbraw/zinc/23/62/61/1323236261.db2.gz FBAXUJLZNCEWPE-UHFFFAOYSA-N 1 2 331.847 3.306 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ncsc1C1CC1 ZINC001024650740 1323573587 /nfs/dbraw/zinc/57/35/87/1323573587.db2.gz KHCMSVZJJPMLRN-ZDUSSCGKSA-N 1 2 339.892 3.357 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ncsc1C1CC1 ZINC001024650740 1323573592 /nfs/dbraw/zinc/57/35/92/1323573592.db2.gz KHCMSVZJJPMLRN-ZDUSSCGKSA-N 1 2 339.892 3.357 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cn(C(C)C)nc1C ZINC001024755288 1323656639 /nfs/dbraw/zinc/65/66/39/1323656639.db2.gz GIJMMPQADRGZHX-OAHLLOKOSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn(C(C)C)nc1C ZINC001024755288 1323656648 /nfs/dbraw/zinc/65/66/48/1323656648.db2.gz GIJMMPQADRGZHX-OAHLLOKOSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nc(C(C)C)no1 ZINC001025037766 1323840401 /nfs/dbraw/zinc/84/04/01/1323840401.db2.gz ARNNXZDUWROPHV-OAHLLOKOSA-N 1 2 348.491 3.266 20 30 EGEDLO CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC001025274155 1324091770 /nfs/dbraw/zinc/09/17/70/1324091770.db2.gz UPJLJNZIRKJUEZ-RTBURBONSA-N 1 2 342.487 3.016 20 30 EGEDLO CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC001025274155 1324091775 /nfs/dbraw/zinc/09/17/75/1324091775.db2.gz UPJLJNZIRKJUEZ-RTBURBONSA-N 1 2 342.487 3.016 20 30 EGEDLO CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC001025274154 1324091899 /nfs/dbraw/zinc/09/18/99/1324091899.db2.gz UPJLJNZIRKJUEZ-RBUKOAKNSA-N 1 2 342.487 3.016 20 30 EGEDLO CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC001025274154 1324091907 /nfs/dbraw/zinc/09/19/07/1324091907.db2.gz UPJLJNZIRKJUEZ-RBUKOAKNSA-N 1 2 342.487 3.016 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@](C)(O)c1ccc(F)cc1F ZINC000853335965 1325083177 /nfs/dbraw/zinc/08/31/77/1325083177.db2.gz LHFZHULEAOWZFJ-LJQANCHMSA-N 1 2 346.377 3.472 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](CN2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000853523827 1325114029 /nfs/dbraw/zinc/11/40/29/1325114029.db2.gz HATMZXNYPRQZOY-CQSZACIVSA-N 1 2 332.835 3.165 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](CN2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000853523827 1325114038 /nfs/dbraw/zinc/11/40/38/1325114038.db2.gz HATMZXNYPRQZOY-CQSZACIVSA-N 1 2 332.835 3.165 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)CC2CCCC2)C1 ZINC001034088971 1342226089 /nfs/dbraw/zinc/22/60/89/1342226089.db2.gz DVPBUCZWCHKINE-OAHLLOKOSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)CC2CCCC2)C1 ZINC001034088971 1342226091 /nfs/dbraw/zinc/22/60/91/1342226091.db2.gz DVPBUCZWCHKINE-OAHLLOKOSA-N 1 2 343.309 3.446 20 30 EGEDLO Cc1ccc(C(=O)/C=C/C(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000927074358 1327844860 /nfs/dbraw/zinc/84/48/60/1327844860.db2.gz LCGVYFVLAKWHSN-MDZDMXLPSA-N 1 2 349.434 3.232 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@@H+](C)[C@H](C)c3ncccn3)C2)CC1 ZINC001027559338 1327871006 /nfs/dbraw/zinc/87/10/06/1327871006.db2.gz VLQNGTWDSIGQCL-AEFFLSMTSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@H+](C)[C@H](C)c3ncccn3)C2)CC1 ZINC001027559338 1327871011 /nfs/dbraw/zinc/87/10/11/1327871011.db2.gz VLQNGTWDSIGQCL-AEFFLSMTSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]([N@H+](C)Cc2csc(C)n2)C1 ZINC001027560010 1327875796 /nfs/dbraw/zinc/87/57/96/1327875796.db2.gz NIFOTGOPXQNFER-AEFFLSMTSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2csc(C)n2)C1 ZINC001027560010 1327875803 /nfs/dbraw/zinc/87/58/03/1327875803.db2.gz NIFOTGOPXQNFER-AEFFLSMTSA-N 1 2 335.517 3.477 20 30 EGEDLO C[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)C1(C)CC1 ZINC000966301577 1328261321 /nfs/dbraw/zinc/26/13/21/1328261321.db2.gz UYETZSJHUQLJOE-MAUKXSAKSA-N 1 2 344.886 3.318 20 30 EGEDLO C[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)C1(C)CC1 ZINC000966301577 1328261324 /nfs/dbraw/zinc/26/13/24/1328261324.db2.gz UYETZSJHUQLJOE-MAUKXSAKSA-N 1 2 344.886 3.318 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1CNC(=O)c1occ2c1CCC2 ZINC001028051526 1328518157 /nfs/dbraw/zinc/51/81/57/1328518157.db2.gz OSTJFBHIJWNAAI-GOSISDBHSA-N 1 2 349.434 3.034 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1CNC(=O)c1occ2c1CCC2 ZINC001028051526 1328518162 /nfs/dbraw/zinc/51/81/62/1328518162.db2.gz OSTJFBHIJWNAAI-GOSISDBHSA-N 1 2 349.434 3.034 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)C2CCC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC000946972070 1332949928 /nfs/dbraw/zinc/94/99/28/1332949928.db2.gz VXFOPYWOUOFIPV-QAPCUYQASA-N 1 2 344.886 3.461 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)C2CCC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC000946972070 1332949931 /nfs/dbraw/zinc/94/99/31/1332949931.db2.gz VXFOPYWOUOFIPV-QAPCUYQASA-N 1 2 344.886 3.461 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccsc2)C[C@@H]1C ZINC000947000055 1332963769 /nfs/dbraw/zinc/96/37/69/1332963769.db2.gz FPGHYKNVHRMUQC-AAEUAGOBSA-N 1 2 343.290 3.239 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccsc2)C[C@@H]1C ZINC000947000055 1332963770 /nfs/dbraw/zinc/96/37/70/1332963770.db2.gz FPGHYKNVHRMUQC-AAEUAGOBSA-N 1 2 343.290 3.239 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C2(C3CC3)CC2)C[C@H]1C ZINC000947425346 1333122840 /nfs/dbraw/zinc/12/28/40/1333122840.db2.gz IKSYINAEDLWCAA-TZMCWYRMSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C2(C3CC3)CC2)C[C@H]1C ZINC000947425346 1333122842 /nfs/dbraw/zinc/12/28/42/1333122842.db2.gz IKSYINAEDLWCAA-TZMCWYRMSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2n[nH]c3ccc(C)cc32)C[C@@H]1C ZINC000947493228 1333146269 /nfs/dbraw/zinc/14/62/69/1333146269.db2.gz QUYCCBSTINIQGN-LSDHHAIUSA-N 1 2 326.444 3.030 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2n[nH]c3ccc(C)cc32)C[C@@H]1C ZINC000947493228 1333146271 /nfs/dbraw/zinc/14/62/71/1333146271.db2.gz QUYCCBSTINIQGN-LSDHHAIUSA-N 1 2 326.444 3.030 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[C@H](Nc3cc[nH+]c(C)n3)CC2)CC1 ZINC001063399310 1351848967 /nfs/dbraw/zinc/84/89/67/1351848967.db2.gz PWTLTMFVMRWJCA-QAQDUYKDSA-N 1 2 328.460 3.371 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C)oc1C ZINC000948894484 1333722693 /nfs/dbraw/zinc/72/26/93/1333722693.db2.gz LOVIHWRTXMJWOF-HXUWFJFHSA-N 1 2 336.435 3.249 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C)oc1C ZINC000948894484 1333722698 /nfs/dbraw/zinc/72/26/98/1333722698.db2.gz LOVIHWRTXMJWOF-HXUWFJFHSA-N 1 2 336.435 3.249 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C)nc(C)c1 ZINC000948919473 1333733707 /nfs/dbraw/zinc/73/37/07/1333733707.db2.gz IMJARRBBAMNQPW-OAQYLSRUSA-N 1 2 347.462 3.051 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C)nc(C)c1 ZINC000948919473 1333733710 /nfs/dbraw/zinc/73/37/10/1333733710.db2.gz IMJARRBBAMNQPW-OAQYLSRUSA-N 1 2 347.462 3.051 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2c3ccccc3CC[N@H+]2CCF)CC1 ZINC000948954670 1333746504 /nfs/dbraw/zinc/74/65/04/1333746504.db2.gz OIHBAGLAZQRZIM-LJQANCHMSA-N 1 2 330.447 3.418 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2c3ccccc3CC[N@@H+]2CCF)CC1 ZINC000948954670 1333746506 /nfs/dbraw/zinc/74/65/06/1333746506.db2.gz OIHBAGLAZQRZIM-LJQANCHMSA-N 1 2 330.447 3.418 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1c(C)cccc1F ZINC000948989958 1333762302 /nfs/dbraw/zinc/76/23/02/1333762302.db2.gz VDJSRFMXCCZYCD-LJQANCHMSA-N 1 2 336.410 3.097 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1c(C)cccc1F ZINC000948989958 1333762306 /nfs/dbraw/zinc/76/23/06/1333762306.db2.gz VDJSRFMXCCZYCD-LJQANCHMSA-N 1 2 336.410 3.097 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCc3c2cccc3Cl)C1 ZINC000950894384 1334148351 /nfs/dbraw/zinc/14/83/51/1334148351.db2.gz OHTVKTLWEYZVIO-QGZVFWFLSA-N 1 2 332.875 3.479 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]2CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001063556604 1351918142 /nfs/dbraw/zinc/91/81/42/1351918142.db2.gz SSQYZRFJGHAGBE-MRXNPFEDSA-N 1 2 340.471 3.422 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC2(CCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001063599792 1351934939 /nfs/dbraw/zinc/93/49/39/1351934939.db2.gz FKTCXVJOLOCXEB-IBGZPJMESA-N 1 2 342.487 3.206 20 30 EGEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)C1(C)CCC1 ZINC000967750572 1335811799 /nfs/dbraw/zinc/81/17/99/1335811799.db2.gz SQIJKLGZMGKKSV-KDOFPFPSSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)C1(C)CCC1 ZINC000967750572 1335811801 /nfs/dbraw/zinc/81/18/01/1335811801.db2.gz SQIJKLGZMGKKSV-KDOFPFPSSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2nccc3ccccc32)C1 ZINC000968076645 1335853638 /nfs/dbraw/zinc/85/36/38/1335853638.db2.gz DOJKQJRETYPZRI-DYVFJYSZSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2nccc3ccccc32)C1 ZINC000968076645 1335853639 /nfs/dbraw/zinc/85/36/39/1335853639.db2.gz DOJKQJRETYPZRI-DYVFJYSZSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3csc(C)n3)CC[C@@H]2C)C1 ZINC000968272048 1335881664 /nfs/dbraw/zinc/88/16/64/1335881664.db2.gz DMBDKQRMKQDBCL-XJKSGUPXSA-N 1 2 333.501 3.134 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3csc(C)n3)CC[C@@H]2C)C1 ZINC000968272048 1335881665 /nfs/dbraw/zinc/88/16/65/1335881665.db2.gz DMBDKQRMKQDBCL-XJKSGUPXSA-N 1 2 333.501 3.134 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](Cc3ncc(C)s3)CC[C@H]2C)C1 ZINC000968276291 1335883118 /nfs/dbraw/zinc/88/31/18/1335883118.db2.gz VWFQQCNOWKSLIY-HIFRSBDPSA-N 1 2 333.501 3.134 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](Cc3ncc(C)s3)CC[C@H]2C)C1 ZINC000968276291 1335883121 /nfs/dbraw/zinc/88/31/21/1335883121.db2.gz VWFQQCNOWKSLIY-HIFRSBDPSA-N 1 2 333.501 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC000968344800 1335895375 /nfs/dbraw/zinc/89/53/75/1335895375.db2.gz FGUSHHINXLSTDM-WBMJQRKESA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC000968344800 1335895376 /nfs/dbraw/zinc/89/53/76/1335895376.db2.gz FGUSHHINXLSTDM-WBMJQRKESA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(OC)c2C)C1 ZINC000968366552 1335905441 /nfs/dbraw/zinc/90/54/41/1335905441.db2.gz ZKPOWKVIXAOZPY-BLLLJJGKSA-N 1 2 336.863 3.196 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(OC)c2C)C1 ZINC000968366552 1335905445 /nfs/dbraw/zinc/90/54/45/1335905445.db2.gz ZKPOWKVIXAOZPY-BLLLJJGKSA-N 1 2 336.863 3.196 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2OCC)C1 ZINC000968599558 1335979644 /nfs/dbraw/zinc/97/96/44/1335979644.db2.gz YTUKTBOXACLMQB-CJNGLKHVSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2OCC)C1 ZINC000968599558 1335979647 /nfs/dbraw/zinc/97/96/47/1335979647.db2.gz YTUKTBOXACLMQB-CJNGLKHVSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccoc1 ZINC000968754211 1336039167 /nfs/dbraw/zinc/03/91/67/1336039167.db2.gz YQRAHTZPRSOGQK-CQSZACIVSA-N 1 2 341.249 3.163 20 30 EGEDLO C=C(Br)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccoc1 ZINC000968754211 1336039170 /nfs/dbraw/zinc/03/91/70/1336039170.db2.gz YQRAHTZPRSOGQK-CQSZACIVSA-N 1 2 341.249 3.163 20 30 EGEDLO C[C@H](NC(=O)C1=CCCC1)C1C[NH+](CC#Cc2ccccc2Cl)C1 ZINC000969489658 1336218460 /nfs/dbraw/zinc/21/84/60/1336218460.db2.gz BNAIHBKWOIMPTI-HNNXBMFYSA-N 1 2 342.870 3.238 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cccc3cccnc32)C1 ZINC000970072478 1336276311 /nfs/dbraw/zinc/27/63/11/1336276311.db2.gz VTSYKSMCGXBPPO-ZDUSSCGKSA-N 1 2 329.831 3.037 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(-c3ccco3)o2)C1 ZINC000970127992 1336282565 /nfs/dbraw/zinc/28/25/65/1336282565.db2.gz SHBIOGNLKUFLAS-LBPRGKRZSA-N 1 2 334.803 3.342 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccccc3F)C2)s1 ZINC001006592259 1336533320 /nfs/dbraw/zinc/53/33/20/1336533320.db2.gz UWHJEHVBKYQLIL-CYBMUJFWSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccc3F)C2)s1 ZINC001006592259 1336533322 /nfs/dbraw/zinc/53/33/22/1336533322.db2.gz UWHJEHVBKYQLIL-CYBMUJFWSA-N 1 2 343.427 3.153 20 30 EGEDLO CC1CC(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC001007074632 1336639010 /nfs/dbraw/zinc/63/90/10/1336639010.db2.gz XFXNFJSRXGDCKQ-GXOAENINSA-N 1 2 344.886 3.318 20 30 EGEDLO CC1CC(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC001007074632 1336639011 /nfs/dbraw/zinc/63/90/11/1336639011.db2.gz XFXNFJSRXGDCKQ-GXOAENINSA-N 1 2 344.886 3.318 20 30 EGEDLO CCc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)o1 ZINC001007667469 1336686496 /nfs/dbraw/zinc/68/64/96/1336686496.db2.gz UADHGIGPXPSKOI-GOSISDBHSA-N 1 2 336.435 3.088 20 30 EGEDLO CCc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)o1 ZINC001007667469 1336686499 /nfs/dbraw/zinc/68/64/99/1336686499.db2.gz UADHGIGPXPSKOI-GOSISDBHSA-N 1 2 336.435 3.088 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001007860279 1336719951 /nfs/dbraw/zinc/71/99/51/1336719951.db2.gz SQPCXLWJECQLJR-CQSZACIVSA-N 1 2 331.847 3.423 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001007860279 1336719953 /nfs/dbraw/zinc/71/99/53/1336719953.db2.gz SQPCXLWJECQLJR-CQSZACIVSA-N 1 2 331.847 3.423 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)c2c(F)cccc2F)C1 ZINC001007945605 1336737038 /nfs/dbraw/zinc/73/70/38/1336737038.db2.gz YFIZFTGGWHYRGF-QWHCGFSZSA-N 1 2 342.817 3.401 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)c2c(F)cccc2F)C1 ZINC001007945605 1336737041 /nfs/dbraw/zinc/73/70/41/1336737041.db2.gz YFIZFTGGWHYRGF-QWHCGFSZSA-N 1 2 342.817 3.401 20 30 EGEDLO C[C@]1(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)C=CCC1 ZINC001008232075 1336800193 /nfs/dbraw/zinc/80/01/93/1336800193.db2.gz SHJNSJMLYKTMBL-CTNGQTDRSA-N 1 2 340.442 3.114 20 30 EGEDLO C[C@]1(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)C=CCC1 ZINC001008232075 1336800196 /nfs/dbraw/zinc/80/01/96/1336800196.db2.gz SHJNSJMLYKTMBL-CTNGQTDRSA-N 1 2 340.442 3.114 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001008247249 1336803188 /nfs/dbraw/zinc/80/31/88/1336803188.db2.gz BDGSCZUUJWVWOI-ROUUACIJSA-N 1 2 325.456 3.075 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001008247249 1336803191 /nfs/dbraw/zinc/80/31/91/1336803191.db2.gz BDGSCZUUJWVWOI-ROUUACIJSA-N 1 2 325.456 3.075 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2cn(C)c3ccccc23)C1 ZINC001008355379 1336832486 /nfs/dbraw/zinc/83/24/86/1336832486.db2.gz IERDEGRUROIENE-MRXNPFEDSA-N 1 2 345.874 3.054 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cn(C)c3ccccc23)C1 ZINC001008355379 1336832490 /nfs/dbraw/zinc/83/24/90/1336832490.db2.gz IERDEGRUROIENE-MRXNPFEDSA-N 1 2 345.874 3.054 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cccc(Cl)c2)C1 ZINC001008374089 1336837262 /nfs/dbraw/zinc/83/72/62/1336837262.db2.gz BSKMFDUWDVSDOI-OAHLLOKOSA-N 1 2 327.255 3.216 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2cccc(Cl)c2)C1 ZINC001008374089 1336837263 /nfs/dbraw/zinc/83/72/63/1336837263.db2.gz BSKMFDUWDVSDOI-OAHLLOKOSA-N 1 2 327.255 3.216 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001008438473 1336853347 /nfs/dbraw/zinc/85/33/47/1336853347.db2.gz ZJUXCKFWSNBSLM-QGZVFWFLSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001008438473 1336853349 /nfs/dbraw/zinc/85/33/49/1336853349.db2.gz ZJUXCKFWSNBSLM-QGZVFWFLSA-N 1 2 341.430 3.134 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1)c1ccco1 ZINC001008512068 1336873638 /nfs/dbraw/zinc/87/36/38/1336873638.db2.gz OWHAHPTUQDMBKO-MAUKXSAKSA-N 1 2 337.423 3.036 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1)c1ccco1 ZINC001008512068 1336873641 /nfs/dbraw/zinc/87/36/41/1336873641.db2.gz OWHAHPTUQDMBKO-MAUKXSAKSA-N 1 2 337.423 3.036 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3cccc(OC)c32)C1 ZINC001008803031 1336928369 /nfs/dbraw/zinc/92/83/69/1336928369.db2.gz XLZOZUXMCSUSPS-HZPDHXFCSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3cccc(OC)c32)C1 ZINC001008803031 1336928370 /nfs/dbraw/zinc/92/83/70/1336928370.db2.gz XLZOZUXMCSUSPS-HZPDHXFCSA-N 1 2 348.874 3.058 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001008833625 1336932406 /nfs/dbraw/zinc/93/24/06/1336932406.db2.gz JTLVAHNREBEMIZ-SLFFLAALSA-N 1 2 337.467 3.075 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001008833625 1336932408 /nfs/dbraw/zinc/93/24/08/1336932408.db2.gz JTLVAHNREBEMIZ-SLFFLAALSA-N 1 2 337.467 3.075 20 30 EGEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-c3ccco3)s2)C1 ZINC001009043472 1336959772 /nfs/dbraw/zinc/95/97/72/1336959772.db2.gz BNWILZZMUAXZFX-CQSZACIVSA-N 1 2 328.437 3.226 20 30 EGEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-c3ccco3)s2)C1 ZINC001009043472 1336959773 /nfs/dbraw/zinc/95/97/73/1336959773.db2.gz BNWILZZMUAXZFX-CQSZACIVSA-N 1 2 328.437 3.226 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc3c(c2)CCCC3)C1 ZINC001009471406 1337028784 /nfs/dbraw/zinc/02/87/84/1337028784.db2.gz PEDRDIJLQPRDFT-LJQANCHMSA-N 1 2 346.902 3.441 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2ccc3c(c2)CCCC3)C1 ZINC001009471406 1337028786 /nfs/dbraw/zinc/02/87/86/1337028786.db2.gz PEDRDIJLQPRDFT-LJQANCHMSA-N 1 2 346.902 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cncc3ccccc32)C1 ZINC001009606401 1337045491 /nfs/dbraw/zinc/04/54/91/1337045491.db2.gz XKXPHXOWXYSPJV-HNNXBMFYSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cncc3ccccc32)C1 ZINC001009606401 1337045494 /nfs/dbraw/zinc/04/54/94/1337045494.db2.gz XKXPHXOWXYSPJV-HNNXBMFYSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2(c3ccccc3OC)CC2)C1 ZINC001009721786 1337065801 /nfs/dbraw/zinc/06/58/01/1337065801.db2.gz DMCRYZHTRDDCKA-HNNXBMFYSA-N 1 2 348.874 3.060 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2(c3ccccc3OC)CC2)C1 ZINC001009721786 1337065804 /nfs/dbraw/zinc/06/58/04/1337065804.db2.gz DMCRYZHTRDDCKA-HNNXBMFYSA-N 1 2 348.874 3.060 20 30 EGEDLO Cc1ccccc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001009982032 1337132174 /nfs/dbraw/zinc/13/21/74/1337132174.db2.gz VIOWPEJFQRMUJR-KRWDZBQOSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1ccccc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001009982032 1337132175 /nfs/dbraw/zinc/13/21/75/1337132175.db2.gz VIOWPEJFQRMUJR-KRWDZBQOSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1ccoc1C(=O)N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001010218683 1337160713 /nfs/dbraw/zinc/16/07/13/1337160713.db2.gz GKBLTNWPDQAYCW-KRWDZBQOSA-N 1 2 342.826 3.097 20 30 EGEDLO Cc1ccoc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001010218683 1337160716 /nfs/dbraw/zinc/16/07/16/1337160716.db2.gz GKBLTNWPDQAYCW-KRWDZBQOSA-N 1 2 342.826 3.097 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)C2CCCCCC2)C1 ZINC001010367048 1337183087 /nfs/dbraw/zinc/18/30/87/1337183087.db2.gz PMZNBNGHLXJBFI-LJQANCHMSA-N 1 2 325.456 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)C2CCCCCC2)C1 ZINC001010367048 1337183088 /nfs/dbraw/zinc/18/30/88/1337183088.db2.gz PMZNBNGHLXJBFI-LJQANCHMSA-N 1 2 325.456 3.219 20 30 EGEDLO CC(C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1)=C1CCCC1 ZINC001010513483 1337213579 /nfs/dbraw/zinc/21/35/79/1337213579.db2.gz SEFAESOWMMPHGS-GOSISDBHSA-N 1 2 341.430 3.278 20 30 EGEDLO CC(C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1)=C1CCCC1 ZINC001010513483 1337213586 /nfs/dbraw/zinc/21/35/86/1337213586.db2.gz SEFAESOWMMPHGS-GOSISDBHSA-N 1 2 341.430 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(F)c(C(F)F)c2)C1 ZINC001014478284 1337791825 /nfs/dbraw/zinc/79/18/25/1337791825.db2.gz NMNMSMAPRPLBGA-NSHDSACASA-N 1 2 332.753 3.320 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)c(C(F)F)c2)C1 ZINC001014478284 1337791828 /nfs/dbraw/zinc/79/18/28/1337791828.db2.gz NMNMSMAPRPLBGA-NSHDSACASA-N 1 2 332.753 3.320 20 30 EGEDLO CC(C)c1cccc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)n1 ZINC001015135662 1338028390 /nfs/dbraw/zinc/02/83/90/1338028390.db2.gz FRZLQEHEVVCEBW-IBGZPJMESA-N 1 2 347.462 3.061 20 30 EGEDLO CC(C)c1cccc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)n1 ZINC001015135662 1338028393 /nfs/dbraw/zinc/02/83/93/1338028393.db2.gz FRZLQEHEVVCEBW-IBGZPJMESA-N 1 2 347.462 3.061 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccc(C(F)F)cc2)C1 ZINC001015246415 1338070802 /nfs/dbraw/zinc/07/08/02/1338070802.db2.gz JMUCFQLYJGAGIZ-AWEZNQCLSA-N 1 2 328.790 3.110 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(C(F)F)cc2)C1 ZINC001015246415 1338070808 /nfs/dbraw/zinc/07/08/08/1338070808.db2.gz JMUCFQLYJGAGIZ-AWEZNQCLSA-N 1 2 328.790 3.110 20 30 EGEDLO Cc1coc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)c1 ZINC001015577294 1338189885 /nfs/dbraw/zinc/18/98/85/1338189885.db2.gz OAQGWGSARQVVHK-KRWDZBQOSA-N 1 2 342.826 3.097 20 30 EGEDLO Cc1coc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)c1 ZINC001015577294 1338189888 /nfs/dbraw/zinc/18/98/88/1338189888.db2.gz OAQGWGSARQVVHK-KRWDZBQOSA-N 1 2 342.826 3.097 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccoc3C3CC3)C2)s1 ZINC001015610997 1338207611 /nfs/dbraw/zinc/20/76/11/1338207611.db2.gz CKSUECMNQSUVIE-ZDUSSCGKSA-N 1 2 341.436 3.094 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccoc3C3CC3)C2)s1 ZINC001015610997 1338207614 /nfs/dbraw/zinc/20/76/14/1338207614.db2.gz CKSUECMNQSUVIE-ZDUSSCGKSA-N 1 2 341.436 3.094 20 30 EGEDLO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1)c1cccs1 ZINC001015691201 1338262194 /nfs/dbraw/zinc/26/21/94/1338262194.db2.gz ZPYMLVKMFQVOJB-YOEHRIQHSA-N 1 2 339.464 3.114 20 30 EGEDLO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1)c1cccs1 ZINC001015691201 1338262197 /nfs/dbraw/zinc/26/21/97/1338262197.db2.gz ZPYMLVKMFQVOJB-YOEHRIQHSA-N 1 2 339.464 3.114 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001015807129 1338319228 /nfs/dbraw/zinc/31/92/28/1338319228.db2.gz PTGNQGLNYHDOOR-NJYVYQBISA-N 1 2 345.446 3.052 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001015807129 1338319230 /nfs/dbraw/zinc/31/92/30/1338319230.db2.gz PTGNQGLNYHDOOR-NJYVYQBISA-N 1 2 345.446 3.052 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@]2(C)CCCc3ccccc32)C1 ZINC001015854455 1338334506 /nfs/dbraw/zinc/33/45/06/1338334506.db2.gz FBVAUHFNANUHIE-APWZRJJASA-N 1 2 332.875 3.224 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C)CCCc3ccccc32)C1 ZINC001015854455 1338334509 /nfs/dbraw/zinc/33/45/09/1338334509.db2.gz FBVAUHFNANUHIE-APWZRJJASA-N 1 2 332.875 3.224 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)c2ccc(Cl)s2)C1 ZINC001015963797 1338381193 /nfs/dbraw/zinc/38/11/93/1338381193.db2.gz RJSYPYCELPGRAG-MNOVXSKESA-N 1 2 333.284 3.448 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2ccc(Cl)s2)C1 ZINC001015963797 1338381194 /nfs/dbraw/zinc/38/11/94/1338381194.db2.gz RJSYPYCELPGRAG-MNOVXSKESA-N 1 2 333.284 3.448 20 30 EGEDLO CCc1cc(C)c(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)o1 ZINC001015999445 1338399787 /nfs/dbraw/zinc/39/97/87/1338399787.db2.gz OWWFZYZRUNPMDQ-ZDUSSCGKSA-N 1 2 343.452 3.088 20 30 EGEDLO CCc1cc(C)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)o1 ZINC001015999445 1338399791 /nfs/dbraw/zinc/39/97/91/1338399791.db2.gz OWWFZYZRUNPMDQ-ZDUSSCGKSA-N 1 2 343.452 3.088 20 30 EGEDLO CCc1cc(C)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)o1 ZINC001015998646 1338400361 /nfs/dbraw/zinc/40/03/61/1338400361.db2.gz FHZNQRJMYCJZCP-QGZVFWFLSA-N 1 2 337.423 3.026 20 30 EGEDLO CCc1cc(C)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)o1 ZINC001015998646 1338400365 /nfs/dbraw/zinc/40/03/65/1338400365.db2.gz FHZNQRJMYCJZCP-QGZVFWFLSA-N 1 2 337.423 3.026 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC001016035200 1338419750 /nfs/dbraw/zinc/41/97/50/1338419750.db2.gz RZYNFUNRCYNRMM-BXWFABGCSA-N 1 2 325.456 3.075 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC001016035200 1338419751 /nfs/dbraw/zinc/41/97/51/1338419751.db2.gz RZYNFUNRCYNRMM-BXWFABGCSA-N 1 2 325.456 3.075 20 30 EGEDLO CC(C)(C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1)c1ccccc1 ZINC001016206025 1338507222 /nfs/dbraw/zinc/50/72/22/1338507222.db2.gz VWKWXKXLCIBJKZ-FQEVSTJZSA-N 1 2 347.462 3.227 20 30 EGEDLO CC(C)(C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1)c1ccccc1 ZINC001016206025 1338507225 /nfs/dbraw/zinc/50/72/25/1338507225.db2.gz VWKWXKXLCIBJKZ-FQEVSTJZSA-N 1 2 347.462 3.227 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C3CCC=CCC3)C2)c(F)c1 ZINC001016289429 1338536951 /nfs/dbraw/zinc/53/69/51/1338536951.db2.gz YSZXPKAANCLGND-SFHVURJKSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C3CCC=CCC3)C2)c(F)c1 ZINC001016289429 1338536957 /nfs/dbraw/zinc/53/69/57/1338536957.db2.gz YSZXPKAANCLGND-SFHVURJKSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccc(F)cc2F)C1 ZINC001016305256 1338540311 /nfs/dbraw/zinc/54/03/11/1338540311.db2.gz JTPACGJXHWISOT-AAEUAGOBSA-N 1 2 328.790 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccc(F)cc2F)C1 ZINC001016305256 1338540315 /nfs/dbraw/zinc/54/03/15/1338540315.db2.gz JTPACGJXHWISOT-AAEUAGOBSA-N 1 2 328.790 3.011 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)c2ccc(F)cc2F)C1 ZINC001016305259 1338540681 /nfs/dbraw/zinc/54/06/81/1338540681.db2.gz JTPACGJXHWISOT-YPMHNXCESA-N 1 2 328.790 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2ccc(F)cc2F)C1 ZINC001016305259 1338540684 /nfs/dbraw/zinc/54/06/84/1338540684.db2.gz JTPACGJXHWISOT-YPMHNXCESA-N 1 2 328.790 3.011 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(c3ccc(C)cc3)CCC2)C1 ZINC001016373982 1338576611 /nfs/dbraw/zinc/57/66/11/1338576611.db2.gz SOXYYHKZDVFRNV-KRWDZBQOSA-N 1 2 332.875 3.360 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(c3ccc(C)cc3)CCC2)C1 ZINC001016373982 1338576613 /nfs/dbraw/zinc/57/66/13/1338576613.db2.gz SOXYYHKZDVFRNV-KRWDZBQOSA-N 1 2 332.875 3.360 20 30 EGEDLO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2cccs2)cc1 ZINC001017314633 1339326999 /nfs/dbraw/zinc/32/69/99/1339326999.db2.gz CLGGLLYESKOVGZ-CALCHBBNSA-N 1 2 337.448 3.109 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2cccs2)cc1 ZINC001017314633 1339327002 /nfs/dbraw/zinc/32/70/02/1339327002.db2.gz CLGGLLYESKOVGZ-CALCHBBNSA-N 1 2 337.448 3.109 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001017654512 1339384151 /nfs/dbraw/zinc/38/41/51/1339384151.db2.gz DUMFHGDHYGPJSV-NCYKPQTJSA-N 1 2 336.479 3.269 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001017654512 1339384156 /nfs/dbraw/zinc/38/41/56/1339384156.db2.gz DUMFHGDHYGPJSV-NCYKPQTJSA-N 1 2 336.479 3.269 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCCC23CC3)c1 ZINC001017659301 1339385722 /nfs/dbraw/zinc/38/57/22/1339385722.db2.gz QWBBWQXBPJCMTE-HSALFYBXSA-N 1 2 349.478 3.314 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCCC23CC3)c1 ZINC001017659301 1339385726 /nfs/dbraw/zinc/38/57/26/1339385726.db2.gz QWBBWQXBPJCMTE-HSALFYBXSA-N 1 2 349.478 3.314 20 30 EGEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)occ1C(F)(F)F ZINC001017741573 1339408602 /nfs/dbraw/zinc/40/86/02/1339408602.db2.gz ZLNIDGXHNPRLFG-TXEJJXNPSA-N 1 2 328.334 3.082 20 30 EGEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)occ1C(F)(F)F ZINC001017741573 1339408605 /nfs/dbraw/zinc/40/86/05/1339408605.db2.gz ZLNIDGXHNPRLFG-TXEJJXNPSA-N 1 2 328.334 3.082 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1cc2ccccc2o1 ZINC001018159552 1339518798 /nfs/dbraw/zinc/51/87/98/1339518798.db2.gz RYSQSBFPHMFXCV-NXHRZFHOSA-N 1 2 336.435 3.235 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1cc2ccccc2o1 ZINC001018159552 1339518800 /nfs/dbraw/zinc/51/88/00/1339518800.db2.gz RYSQSBFPHMFXCV-NXHRZFHOSA-N 1 2 336.435 3.235 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001028080127 1340412448 /nfs/dbraw/zinc/41/24/48/1340412448.db2.gz UASYYXRZQLQJJI-MSOLQXFVSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001028080127 1340412452 /nfs/dbraw/zinc/41/24/52/1340412452.db2.gz UASYYXRZQLQJJI-MSOLQXFVSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1c(F)cc(F)cc1F ZINC001028106053 1340429458 /nfs/dbraw/zinc/42/94/58/1340429458.db2.gz SVGBLBHNWRINDG-NSHDSACASA-N 1 2 332.753 3.051 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1c(F)cc(F)cc1F ZINC001028106053 1340429459 /nfs/dbraw/zinc/42/94/59/1340429459.db2.gz SVGBLBHNWRINDG-NSHDSACASA-N 1 2 332.753 3.051 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2ccccc2C1 ZINC001028164109 1340461468 /nfs/dbraw/zinc/46/14/68/1340461468.db2.gz HXHUYXSVQSQSNR-QZTJIDSGSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2ccccc2C1 ZINC001028164109 1340461472 /nfs/dbraw/zinc/46/14/72/1340461472.db2.gz HXHUYXSVQSQSNR-QZTJIDSGSA-N 1 2 332.875 3.125 20 30 EGEDLO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1Cl)[C@@H]1CC12CC2 ZINC001028168756 1340464353 /nfs/dbraw/zinc/46/43/53/1340464353.db2.gz ZHFMCDOAENFIDG-SJORKVTESA-N 1 2 342.870 3.072 20 30 EGEDLO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl)[C@@H]1CC12CC2 ZINC001028168756 1340464355 /nfs/dbraw/zinc/46/43/55/1340464355.db2.gz ZHFMCDOAENFIDG-SJORKVTESA-N 1 2 342.870 3.072 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+](C/C(Cl)=C\Cl)C2)CC1 ZINC001028779949 1340811452 /nfs/dbraw/zinc/81/14/52/1340811452.db2.gz CDJMMWIZUHZHMR-LIOBOASVSA-N 1 2 331.287 3.490 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+](C/C(Cl)=C\Cl)C2)CC1 ZINC001028779949 1340811456 /nfs/dbraw/zinc/81/14/56/1340811456.db2.gz CDJMMWIZUHZHMR-LIOBOASVSA-N 1 2 331.287 3.490 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+](C/C(Cl)=C/Cl)C2)CC1 ZINC001028779953 1340811801 /nfs/dbraw/zinc/81/18/01/1340811801.db2.gz CDJMMWIZUHZHMR-PBTLCFMXSA-N 1 2 331.287 3.490 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+](C/C(Cl)=C/Cl)C2)CC1 ZINC001028779953 1340811807 /nfs/dbraw/zinc/81/18/07/1340811807.db2.gz CDJMMWIZUHZHMR-PBTLCFMXSA-N 1 2 331.287 3.490 20 30 EGEDLO CC(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N)=C1CCC1 ZINC001029302102 1340969199 /nfs/dbraw/zinc/96/91/99/1340969199.db2.gz SCRQDEDWUSDQQV-BGYRXZFFSA-N 1 2 335.451 3.234 20 30 EGEDLO CC(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N)=C1CCC1 ZINC001029302102 1340969200 /nfs/dbraw/zinc/96/92/00/1340969200.db2.gz SCRQDEDWUSDQQV-BGYRXZFFSA-N 1 2 335.451 3.234 20 30 EGEDLO C=CCOc1ccccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/Cl ZINC001029364555 1340978169 /nfs/dbraw/zinc/97/81/69/1340978169.db2.gz DDTBWOFUNZHSSV-KEDOYRBPSA-N 1 2 346.858 3.293 20 30 EGEDLO C=CCOc1ccccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C/Cl ZINC001029364555 1340978170 /nfs/dbraw/zinc/97/81/70/1340978170.db2.gz DDTBWOFUNZHSSV-KEDOYRBPSA-N 1 2 346.858 3.293 20 30 EGEDLO CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C#N)s2)CCC1 ZINC001029432401 1340989288 /nfs/dbraw/zinc/98/92/88/1340989288.db2.gz ZLIWSHDVMYDIKW-GASCZTMLSA-N 1 2 343.496 3.375 20 30 EGEDLO CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)s2)CCC1 ZINC001029432401 1340989289 /nfs/dbraw/zinc/98/92/89/1340989289.db2.gz ZLIWSHDVMYDIKW-GASCZTMLSA-N 1 2 343.496 3.375 20 30 EGEDLO C#Cc1cncc(C(=O)NC2C[NH+]([C@H](C)c3ccc(C(C)C)cc3)C2)c1 ZINC001030928252 1341251461 /nfs/dbraw/zinc/25/14/61/1341251461.db2.gz KQUUCOHVSBELBE-MRXNPFEDSA-N 1 2 347.462 3.362 20 30 EGEDLO C#Cc1ccc(C(=O)NC2C[NH+]([C@H](C)c3ccc(C(C)C)cc3)C2)cn1 ZINC001031278651 1341309408 /nfs/dbraw/zinc/30/94/08/1341309408.db2.gz VBCTWFBCFYBSFD-MRXNPFEDSA-N 1 2 347.462 3.362 20 30 EGEDLO CC[C@H]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031953036 1341430721 /nfs/dbraw/zinc/43/07/21/1341430721.db2.gz DOXYMPBDOYOWBJ-WMZOPIPTSA-N 1 2 343.446 3.072 20 30 EGEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cc(Cl)cs2)C1 ZINC001032025085 1341441527 /nfs/dbraw/zinc/44/15/27/1341441527.db2.gz PMASAVTUEWWQGC-UHFFFAOYSA-N 1 2 345.855 3.135 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C)nc1C ZINC001032423324 1341509134 /nfs/dbraw/zinc/50/91/34/1341509134.db2.gz HUGBKCLGCMSVFD-IRXDYDNUSA-N 1 2 347.890 3.262 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C)nc1C ZINC001032423324 1341509135 /nfs/dbraw/zinc/50/91/35/1341509135.db2.gz HUGBKCLGCMSVFD-IRXDYDNUSA-N 1 2 347.890 3.262 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c(C)nsc1C ZINC001032605963 1341555833 /nfs/dbraw/zinc/55/58/33/1341555833.db2.gz LIEZSTCBALFBPL-RLFYNMQTSA-N 1 2 333.501 3.147 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1c(C)nsc1C ZINC001032605963 1341555834 /nfs/dbraw/zinc/55/58/34/1341555834.db2.gz LIEZSTCBALFBPL-RLFYNMQTSA-N 1 2 333.501 3.147 20 30 EGEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Cl)c2occc21 ZINC001032727404 1341593482 /nfs/dbraw/zinc/59/34/82/1341593482.db2.gz LZZCSDKIKDAMBZ-STQMWFEESA-N 1 2 328.799 3.008 20 30 EGEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Cl)c2occc21 ZINC001032727404 1341593483 /nfs/dbraw/zinc/59/34/83/1341593483.db2.gz LZZCSDKIKDAMBZ-STQMWFEESA-N 1 2 328.799 3.008 20 30 EGEDLO CCc1occc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033043394 1341706066 /nfs/dbraw/zinc/70/60/66/1341706066.db2.gz KUAWJZSCVFRREZ-QGZVFWFLSA-N 1 2 337.423 3.060 20 30 EGEDLO CCc1occc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033043394 1341706067 /nfs/dbraw/zinc/70/60/67/1341706067.db2.gz KUAWJZSCVFRREZ-QGZVFWFLSA-N 1 2 337.423 3.060 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001033112174 1341729100 /nfs/dbraw/zinc/72/91/00/1341729100.db2.gz RKBNUMDTIKDNSU-MRXNPFEDSA-N 1 2 336.863 3.211 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001033112174 1341729102 /nfs/dbraw/zinc/72/91/02/1341729102.db2.gz RKBNUMDTIKDNSU-MRXNPFEDSA-N 1 2 336.863 3.211 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-c3ccncc3)o2)C1 ZINC001033144255 1341738779 /nfs/dbraw/zinc/73/87/79/1341738779.db2.gz ULXLNNBCSZFMPI-HNNXBMFYSA-N 1 2 345.830 3.240 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-c3ccncc3)o2)C1 ZINC001033144255 1341738780 /nfs/dbraw/zinc/73/87/80/1341738780.db2.gz ULXLNNBCSZFMPI-HNNXBMFYSA-N 1 2 345.830 3.240 20 30 EGEDLO C=CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CC(=C)Cl)C2)cc1 ZINC001033201938 1341751423 /nfs/dbraw/zinc/75/14/23/1341751423.db2.gz BTNOZNBUMXIYGW-MRXNPFEDSA-N 1 2 334.847 3.150 20 30 EGEDLO C=CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CC(=C)Cl)C2)cc1 ZINC001033201938 1341751426 /nfs/dbraw/zinc/75/14/26/1341751426.db2.gz BTNOZNBUMXIYGW-MRXNPFEDSA-N 1 2 334.847 3.150 20 30 EGEDLO CN(C(=O)C1(F)CCCC1)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033214040 1341754292 /nfs/dbraw/zinc/75/42/92/1341754292.db2.gz KLYRAARUISBIMI-MRXNPFEDSA-N 1 2 347.409 3.012 20 30 EGEDLO CN(C(=O)C1(F)CCCC1)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033214040 1341754293 /nfs/dbraw/zinc/75/42/93/1341754293.db2.gz KLYRAARUISBIMI-MRXNPFEDSA-N 1 2 347.409 3.012 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccc3cnccc3c2)C1 ZINC001033261032 1341762159 /nfs/dbraw/zinc/76/21/59/1341762159.db2.gz CUWPNTWFTMIRQC-GOSISDBHSA-N 1 2 343.858 3.063 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc3cnccc3c2)C1 ZINC001033261032 1341762160 /nfs/dbraw/zinc/76/21/60/1341762160.db2.gz CUWPNTWFTMIRQC-GOSISDBHSA-N 1 2 343.858 3.063 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001033283554 1341766894 /nfs/dbraw/zinc/76/68/94/1341766894.db2.gz MYZBVIQGMGHGQX-ZIFCJYIRSA-N 1 2 332.875 3.249 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001033283554 1341766895 /nfs/dbraw/zinc/76/68/95/1341766895.db2.gz MYZBVIQGMGHGQX-ZIFCJYIRSA-N 1 2 332.875 3.249 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001033318152 1341779405 /nfs/dbraw/zinc/77/94/05/1341779405.db2.gz PAYXWIYQXWPZNU-CQSZACIVSA-N 1 2 335.810 3.206 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001033318152 1341779406 /nfs/dbraw/zinc/77/94/06/1341779406.db2.gz PAYXWIYQXWPZNU-CQSZACIVSA-N 1 2 335.810 3.206 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnoc2-c2ccccc2)C1 ZINC001033537487 1341862711 /nfs/dbraw/zinc/86/27/11/1341862711.db2.gz SBVDWXQBKNPFQN-HNNXBMFYSA-N 1 2 345.830 3.240 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnoc2-c2ccccc2)C1 ZINC001033537487 1341862712 /nfs/dbraw/zinc/86/27/12/1341862712.db2.gz SBVDWXQBKNPFQN-HNNXBMFYSA-N 1 2 345.830 3.240 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)C2CCCC2)C1 ZINC001033574045 1341879819 /nfs/dbraw/zinc/87/98/19/1341879819.db2.gz LGHJDRRDLPXLJI-UKRRQHHQSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)C2CCCC2)C1 ZINC001033574045 1341879821 /nfs/dbraw/zinc/87/98/21/1341879821.db2.gz LGHJDRRDLPXLJI-UKRRQHHQSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2sc(C)cc2C)C1 ZINC001033624572 1341908353 /nfs/dbraw/zinc/90/83/53/1341908353.db2.gz NOZBTAOLVWUXKC-AWEZNQCLSA-N 1 2 326.893 3.193 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2sc(C)cc2C)C1 ZINC001033624572 1341908358 /nfs/dbraw/zinc/90/83/58/1341908358.db2.gz NOZBTAOLVWUXKC-AWEZNQCLSA-N 1 2 326.893 3.193 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001033678869 1341945531 /nfs/dbraw/zinc/94/55/31/1341945531.db2.gz IRPIPAMSJYHTSS-OCCSQVGLSA-N 1 2 342.817 3.354 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001033678869 1341945534 /nfs/dbraw/zinc/94/55/34/1341945534.db2.gz IRPIPAMSJYHTSS-OCCSQVGLSA-N 1 2 342.817 3.354 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001033700038 1341966840 /nfs/dbraw/zinc/96/68/40/1341966840.db2.gz SVOJCLHBEIBRJZ-LPHOPBHVSA-N 1 2 332.875 3.176 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001033700038 1341966841 /nfs/dbraw/zinc/96/68/41/1341966841.db2.gz SVOJCLHBEIBRJZ-LPHOPBHVSA-N 1 2 332.875 3.176 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@]2(C)CCc3ccccc32)C1 ZINC001033700039 1341967068 /nfs/dbraw/zinc/96/70/68/1341967068.db2.gz SVOJCLHBEIBRJZ-QFBILLFUSA-N 1 2 332.875 3.176 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(C)CCc3ccccc32)C1 ZINC001033700039 1341967069 /nfs/dbraw/zinc/96/70/69/1341967069.db2.gz SVOJCLHBEIBRJZ-QFBILLFUSA-N 1 2 332.875 3.176 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2csc(CC(C)C)n2)C1 ZINC001033703484 1341968364 /nfs/dbraw/zinc/96/83/64/1341968364.db2.gz ARVPIEUXQDPOKD-CYBMUJFWSA-N 1 2 341.908 3.240 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2csc(CC(C)C)n2)C1 ZINC001033703484 1341968365 /nfs/dbraw/zinc/96/83/65/1341968365.db2.gz ARVPIEUXQDPOKD-CYBMUJFWSA-N 1 2 341.908 3.240 20 30 EGEDLO CCN(C(=O)C1CCCC1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033725196 1341977711 /nfs/dbraw/zinc/97/77/11/1341977711.db2.gz DNTAHZVQGAUTMY-LJQANCHMSA-N 1 2 343.446 3.310 20 30 EGEDLO CCN(C(=O)C1CCCC1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033725196 1341977712 /nfs/dbraw/zinc/97/77/12/1341977712.db2.gz DNTAHZVQGAUTMY-LJQANCHMSA-N 1 2 343.446 3.310 20 30 EGEDLO CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2snc(Cl)c2Cl)C1 ZINC001033841632 1342037474 /nfs/dbraw/zinc/03/74/74/1342037474.db2.gz AXNKFQGQQMVBLD-SNVBAGLBSA-N 1 2 346.283 3.010 20 30 EGEDLO CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2snc(Cl)c2Cl)C1 ZINC001033841632 1342037477 /nfs/dbraw/zinc/03/74/77/1342037477.db2.gz AXNKFQGQQMVBLD-SNVBAGLBSA-N 1 2 346.283 3.010 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001033931639 1342095904 /nfs/dbraw/zinc/09/59/04/1342095904.db2.gz PDJGJENRBRENTM-CJNGLKHVSA-N 1 2 348.874 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001033931639 1342095907 /nfs/dbraw/zinc/09/59/07/1342095907.db2.gz PDJGJENRBRENTM-CJNGLKHVSA-N 1 2 348.874 3.471 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](Cc3nccs3)C2)CC1 ZINC001033945551 1342106780 /nfs/dbraw/zinc/10/67/80/1342106780.db2.gz NPOMBYVVBZVBCC-MRXNPFEDSA-N 1 2 333.501 3.312 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](Cc3nccs3)C2)CC1 ZINC001033945551 1342106784 /nfs/dbraw/zinc/10/67/84/1342106784.db2.gz NPOMBYVVBZVBCC-MRXNPFEDSA-N 1 2 333.501 3.312 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@H+](Cc3nocc3C)C2)CC1 ZINC001033948965 1342108827 /nfs/dbraw/zinc/10/88/27/1342108827.db2.gz DJAOGPBLZAGVKL-KRWDZBQOSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](Cc3nocc3C)C2)CC1 ZINC001033948965 1342108828 /nfs/dbraw/zinc/10/88/28/1342108828.db2.gz DJAOGPBLZAGVKL-KRWDZBQOSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)C2CCC(F)(F)CC2)C1 ZINC001033974194 1342123513 /nfs/dbraw/zinc/12/35/13/1342123513.db2.gz ZZYXGBGQGOIJFP-AWEZNQCLSA-N 1 2 334.838 3.487 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)C2CCC(F)(F)CC2)C1 ZINC001033974194 1342123515 /nfs/dbraw/zinc/12/35/15/1342123515.db2.gz ZZYXGBGQGOIJFP-AWEZNQCLSA-N 1 2 334.838 3.487 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCOc3ccccc32)C1 ZINC001033991068 1342134033 /nfs/dbraw/zinc/13/40/33/1342134033.db2.gz FPUNXJLMGQWBFM-WBVHZDCISA-N 1 2 348.874 3.228 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCOc3ccccc32)C1 ZINC001033991068 1342134035 /nfs/dbraw/zinc/13/40/35/1342134035.db2.gz FPUNXJLMGQWBFM-WBVHZDCISA-N 1 2 348.874 3.228 20 30 EGEDLO CC1(C)C[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001034162440 1342286438 /nfs/dbraw/zinc/28/64/38/1342286438.db2.gz SMUQCPYUKSHGHS-QZTJIDSGSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)C[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001034162440 1342286442 /nfs/dbraw/zinc/28/64/42/1342286442.db2.gz SMUQCPYUKSHGHS-QZTJIDSGSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2c(C)noc2C(C)C)C1 ZINC001034254763 1342349554 /nfs/dbraw/zinc/34/95/54/1342349554.db2.gz WYBGCHYAHAOODU-CQSZACIVSA-N 1 2 339.867 3.443 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2c(C)noc2C(C)C)C1 ZINC001034254763 1342349557 /nfs/dbraw/zinc/34/95/57/1342349557.db2.gz WYBGCHYAHAOODU-CQSZACIVSA-N 1 2 339.867 3.443 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccsc2COC)C1 ZINC001034272115 1342363391 /nfs/dbraw/zinc/36/33/91/1342363391.db2.gz RUHBKFKNXCXMOE-CYBMUJFWSA-N 1 2 342.892 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccsc2COC)C1 ZINC001034272115 1342363394 /nfs/dbraw/zinc/36/33/94/1342363394.db2.gz RUHBKFKNXCXMOE-CYBMUJFWSA-N 1 2 342.892 3.231 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)c2cc(C)ccn2)C1 ZINC001034272602 1342363747 /nfs/dbraw/zinc/36/37/47/1342363747.db2.gz NAUYMBQJSAXVIB-MRXNPFEDSA-N 1 2 349.906 3.391 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)c2cc(C)ccn2)C1 ZINC001034272602 1342363753 /nfs/dbraw/zinc/36/37/53/1342363753.db2.gz NAUYMBQJSAXVIB-MRXNPFEDSA-N 1 2 349.906 3.391 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cc(-c3ccco3)on2)C1 ZINC001034337758 1342411882 /nfs/dbraw/zinc/41/18/82/1342411882.db2.gz QGAZSIYSEPJJLF-ZDUSSCGKSA-N 1 2 349.818 3.271 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cc(-c3ccco3)on2)C1 ZINC001034337758 1342411885 /nfs/dbraw/zinc/41/18/85/1342411885.db2.gz QGAZSIYSEPJJLF-ZDUSSCGKSA-N 1 2 349.818 3.271 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(OC)cs2)C1 ZINC001034343200 1342415731 /nfs/dbraw/zinc/41/57/31/1342415731.db2.gz XHTSWVHVEGHGGL-GFCCVEGCSA-N 1 2 328.865 3.094 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(OC)cs2)C1 ZINC001034343200 1342415734 /nfs/dbraw/zinc/41/57/34/1342415734.db2.gz XHTSWVHVEGHGGL-GFCCVEGCSA-N 1 2 328.865 3.094 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccncc2Cl)C1 ZINC001034410873 1342472771 /nfs/dbraw/zinc/47/27/71/1342472771.db2.gz JDSDBECBYFVJEA-LBPRGKRZSA-N 1 2 328.243 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccncc2Cl)C1 ZINC001034410873 1342472773 /nfs/dbraw/zinc/47/27/73/1342472773.db2.gz JDSDBECBYFVJEA-LBPRGKRZSA-N 1 2 328.243 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001034417199 1342478256 /nfs/dbraw/zinc/47/82/56/1342478256.db2.gz FULRXWSQSBPCBU-LBPRGKRZSA-N 1 2 346.780 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001034417199 1342478259 /nfs/dbraw/zinc/47/82/59/1342478259.db2.gz FULRXWSQSBPCBU-LBPRGKRZSA-N 1 2 346.780 3.441 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cnn(C(C)C)c2C)C1 ZINC001034479987 1342536810 /nfs/dbraw/zinc/53/68/10/1342536810.db2.gz DFSZGANPVMTMFB-HNNXBMFYSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cnn(C(C)C)c2C)C1 ZINC001034479987 1342536814 /nfs/dbraw/zinc/53/68/14/1342536814.db2.gz DFSZGANPVMTMFB-HNNXBMFYSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(Cl)c3occc32)C1 ZINC001035572859 1343093556 /nfs/dbraw/zinc/09/35/56/1343093556.db2.gz GRJKKNHKJVALTM-ZDUSSCGKSA-N 1 2 348.830 3.093 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(Cl)c3occc32)C1 ZINC001035572859 1343093557 /nfs/dbraw/zinc/09/35/57/1343093557.db2.gz GRJKKNHKJVALTM-ZDUSSCGKSA-N 1 2 348.830 3.093 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc3c(s2)CCCCC3)C1 ZINC001035598027 1343097890 /nfs/dbraw/zinc/09/78/90/1343097890.db2.gz QLOBSKOOYXQGKK-MRXNPFEDSA-N 1 2 348.512 3.024 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc3c(s2)CCCCC3)C1 ZINC001035598027 1343097895 /nfs/dbraw/zinc/09/78/95/1343097895.db2.gz QLOBSKOOYXQGKK-MRXNPFEDSA-N 1 2 348.512 3.024 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2CCC(CCCC)CC2)C1 ZINC001035597868 1343097911 /nfs/dbraw/zinc/09/79/11/1343097911.db2.gz PMFBNZWQRLLEJQ-ACBHZAAOSA-N 1 2 336.520 3.376 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C2CCC(CCCC)CC2)C1 ZINC001035597868 1343097917 /nfs/dbraw/zinc/09/79/17/1343097917.db2.gz PMFBNZWQRLLEJQ-ACBHZAAOSA-N 1 2 336.520 3.376 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C(C)(C)C(=C)Cl)CC2 ZINC001035712907 1343147205 /nfs/dbraw/zinc/14/72/05/1343147205.db2.gz QVBJAUIESPBDNY-UHFFFAOYSA-N 1 2 331.287 3.442 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CCC(F)(F)C1)CC2 ZINC001035718615 1343150194 /nfs/dbraw/zinc/15/01/94/1343150194.db2.gz OHYOOCKNYATWQU-AWEZNQCLSA-N 1 2 346.849 3.489 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)Cc1ccc(C)cc1)CC2 ZINC001035744821 1343165605 /nfs/dbraw/zinc/16/56/05/1343165605.db2.gz SAJUMYWDSRPHAZ-UHFFFAOYSA-N 1 2 332.875 3.214 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cc(OC)cs1)CC2 ZINC001035764703 1343177466 /nfs/dbraw/zinc/17/74/66/1343177466.db2.gz UQJNWDFXWVTZMD-UHFFFAOYSA-N 1 2 340.876 3.047 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC2(C[NH+](Cc3nc(C)sc3C)C2)CC1 ZINC001035765694 1343178282 /nfs/dbraw/zinc/17/82/82/1343178282.db2.gz CSMARYZXEBWAPH-UHFFFAOYSA-N 1 2 347.528 3.397 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cc3c([nH]1)CCCC3)CC2 ZINC001035831957 1343219902 /nfs/dbraw/zinc/21/99/02/1343219902.db2.gz VFLUJDAVVLYQQO-UHFFFAOYSA-N 1 2 347.890 3.184 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[C@H](C)n1cccc1)CC2 ZINC001035839722 1343222541 /nfs/dbraw/zinc/22/25/41/1343222541.db2.gz XFYMZJBRADCKNE-INIZCTEOSA-N 1 2 335.879 3.116 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccccc1N(C)C)CC2 ZINC001035860676 1343236362 /nfs/dbraw/zinc/23/63/62/1343236362.db2.gz CYHVRSMISJITAI-UHFFFAOYSA-N 1 2 347.890 3.043 20 30 EGEDLO C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038164884 1344306557 /nfs/dbraw/zinc/30/65/57/1344306557.db2.gz XCCGPPZORPYWSJ-WBMJQRKESA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038164884 1344306560 /nfs/dbraw/zinc/30/65/60/1344306560.db2.gz XCCGPPZORPYWSJ-WBMJQRKESA-N 1 2 342.830 3.105 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)C2=CCCCCC2)cc1F ZINC001038195795 1344318986 /nfs/dbraw/zinc/31/89/86/1344318986.db2.gz UTVUSRPWYWOCCU-GOSISDBHSA-N 1 2 341.430 3.278 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)C2=CCCCCC2)cc1F ZINC001038195795 1344318991 /nfs/dbraw/zinc/31/89/91/1344318991.db2.gz UTVUSRPWYWOCCU-GOSISDBHSA-N 1 2 341.430 3.278 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C)c(F)c1 ZINC001038344197 1344388501 /nfs/dbraw/zinc/38/85/01/1344388501.db2.gz FPLPHUMRHRVDAD-KRWDZBQOSA-N 1 2 341.430 3.126 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C)c(F)c1 ZINC001038344197 1344388503 /nfs/dbraw/zinc/38/85/03/1344388503.db2.gz FPLPHUMRHRVDAD-KRWDZBQOSA-N 1 2 341.430 3.126 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cc(C)ccc2F)cc1 ZINC001038583812 1344494167 /nfs/dbraw/zinc/49/41/67/1344494167.db2.gz ZJKQHSLFRNUVBQ-IBGZPJMESA-N 1 2 336.410 3.120 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cc(C)ccc2F)cc1 ZINC001038583812 1344494170 /nfs/dbraw/zinc/49/41/70/1344494170.db2.gz ZJKQHSLFRNUVBQ-IBGZPJMESA-N 1 2 336.410 3.120 20 30 EGEDLO CC(C)c1ccoc1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038628466 1344511424 /nfs/dbraw/zinc/51/14/24/1344511424.db2.gz RFHNHAYNJSTYGA-QGZVFWFLSA-N 1 2 337.423 3.279 20 30 EGEDLO CC(C)c1ccoc1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038628466 1344511427 /nfs/dbraw/zinc/51/14/27/1344511427.db2.gz RFHNHAYNJSTYGA-QGZVFWFLSA-N 1 2 337.423 3.279 20 30 EGEDLO CCc1ccccc1C(=O)NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001038647220 1344521338 /nfs/dbraw/zinc/52/13/38/1344521338.db2.gz VRMXMGOAHLBETR-HXUWFJFHSA-N 1 2 332.447 3.105 20 30 EGEDLO CCc1ccccc1C(=O)NC[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001038647220 1344521340 /nfs/dbraw/zinc/52/13/40/1344521340.db2.gz VRMXMGOAHLBETR-HXUWFJFHSA-N 1 2 332.447 3.105 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2occ3c2CCCC3)cc1 ZINC001038956247 1344680397 /nfs/dbraw/zinc/68/03/97/1344680397.db2.gz BMYFMCCOAOWCRW-GOSISDBHSA-N 1 2 349.434 3.034 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2occ3c2CCCC3)cc1 ZINC001038956247 1344680401 /nfs/dbraw/zinc/68/04/01/1344680401.db2.gz BMYFMCCOAOWCRW-GOSISDBHSA-N 1 2 349.434 3.034 20 30 EGEDLO CC(C)(C)C1CC(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)C1 ZINC001039078328 1344757487 /nfs/dbraw/zinc/75/74/87/1344757487.db2.gz LMLJLAFABKGPLS-NRXISQOPSA-N 1 2 345.512 3.383 20 30 EGEDLO CC(C)(C)C1CC(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)C1 ZINC001039078328 1344757490 /nfs/dbraw/zinc/75/74/90/1344757490.db2.gz LMLJLAFABKGPLS-NRXISQOPSA-N 1 2 345.512 3.383 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C(F)F)CCC1 ZINC001039423770 1345061375 /nfs/dbraw/zinc/06/13/75/1345061375.db2.gz LBALOWJDTFQJHM-OLZOCXBDSA-N 1 2 332.822 3.240 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C(F)F)CCC1 ZINC001039423770 1345061376 /nfs/dbraw/zinc/06/13/76/1345061376.db2.gz LBALOWJDTFQJHM-OLZOCXBDSA-N 1 2 332.822 3.240 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCC(F)CC1 ZINC001039430593 1345064523 /nfs/dbraw/zinc/06/45/23/1345064523.db2.gz MHWVKYGMAAQKJF-FJBKBRRZSA-N 1 2 328.859 3.333 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCC(F)CC1 ZINC001039430593 1345064526 /nfs/dbraw/zinc/06/45/26/1345064526.db2.gz MHWVKYGMAAQKJF-FJBKBRRZSA-N 1 2 328.859 3.333 20 30 EGEDLO CC(C)[C@H](F)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001039849548 1345210150 /nfs/dbraw/zinc/21/01/50/1345210150.db2.gz OFIQIIJNQPJXRZ-OTWHNJEPSA-N 1 2 343.446 3.118 20 30 EGEDLO CC(C)[C@H](F)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001039849548 1345210154 /nfs/dbraw/zinc/21/01/54/1345210154.db2.gz OFIQIIJNQPJXRZ-OTWHNJEPSA-N 1 2 343.446 3.118 20 30 EGEDLO C=C1CCC(C(=O)N(C)C2C[NH+](CCOc3cccc(F)c3)C2)CC1 ZINC001043759456 1346205047 /nfs/dbraw/zinc/20/50/47/1346205047.db2.gz IHYOBCGKTWVAIZ-UHFFFAOYSA-N 1 2 346.446 3.094 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](CCO[C@@H]3CCCC[C@H]3C)C2)C1 ZINC001043794140 1346210278 /nfs/dbraw/zinc/21/02/78/1346210278.db2.gz FFCCZXPHEADNND-SJLPKXTDSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]1C[NH2+]Cc1nc(C2CCC2)no1 ZINC001045185745 1346521828 /nfs/dbraw/zinc/52/18/28/1346521828.db2.gz KYMZGAFOYREYCU-HNAYVOBHSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)C2CCCCCC2)C1 ZINC001046176545 1346878769 /nfs/dbraw/zinc/87/87/69/1346878769.db2.gz ATPZHIGHELGTLM-INIZCTEOSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)c2cccc(C)c2)C1 ZINC001046110323 1346850320 /nfs/dbraw/zinc/85/03/20/1346850320.db2.gz BQORDVQHXHICTD-MRXNPFEDSA-N 1 2 337.261 3.098 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(C)c2)C1 ZINC001046110323 1346850323 /nfs/dbraw/zinc/85/03/23/1346850323.db2.gz BQORDVQHXHICTD-MRXNPFEDSA-N 1 2 337.261 3.098 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)C2CCCCCC2)C1 ZINC001046176545 1346878768 /nfs/dbraw/zinc/87/87/68/1346878768.db2.gz ATPZHIGHELGTLM-INIZCTEOSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cccc3cccnc32)C1 ZINC001046458453 1346980802 /nfs/dbraw/zinc/98/08/02/1346980802.db2.gz PYTDXCBKJGUUQC-GOSISDBHSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cccc3cccnc32)C1 ZINC001046458453 1346980803 /nfs/dbraw/zinc/98/08/03/1346980803.db2.gz PYTDXCBKJGUUQC-GOSISDBHSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC001046458931 1346981095 /nfs/dbraw/zinc/98/10/95/1346981095.db2.gz SUKFZGPTLNGUGK-LJQANCHMSA-N 1 2 343.858 3.424 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC001046458931 1346981096 /nfs/dbraw/zinc/98/10/96/1346981096.db2.gz SUKFZGPTLNGUGK-LJQANCHMSA-N 1 2 343.858 3.424 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2nc3ccccc3cc2C)C1 ZINC001046496104 1346994940 /nfs/dbraw/zinc/99/49/40/1346994940.db2.gz NQNUALALRCKSGK-LJQANCHMSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2nc3ccccc3cc2C)C1 ZINC001046496104 1346994946 /nfs/dbraw/zinc/99/49/46/1346994946.db2.gz NQNUALALRCKSGK-LJQANCHMSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001046501746 1346995909 /nfs/dbraw/zinc/99/59/09/1346995909.db2.gz XWFXZIVOVCJBQJ-YTQUADARSA-N 1 2 332.875 3.297 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001046501746 1346995911 /nfs/dbraw/zinc/99/59/11/1346995911.db2.gz XWFXZIVOVCJBQJ-YTQUADARSA-N 1 2 332.875 3.297 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc3cc(OC)ccc3[nH]2)C1 ZINC001046586271 1347027166 /nfs/dbraw/zinc/02/71/66/1347027166.db2.gz PGVAZLNPSRPVNV-GOSISDBHSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc3cc(OC)ccc3[nH]2)C1 ZINC001046586271 1347027168 /nfs/dbraw/zinc/02/71/68/1347027168.db2.gz PGVAZLNPSRPVNV-GOSISDBHSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2=CCCCCC2)C1 ZINC001079621603 1357329967 /nfs/dbraw/zinc/32/99/67/1357329967.db2.gz FOHHQTGAPTUCJY-IUODEOHRSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2=CCCCCC2)C1 ZINC001079621603 1357329968 /nfs/dbraw/zinc/32/99/68/1357329968.db2.gz FOHHQTGAPTUCJY-IUODEOHRSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C)c(OCC)c2)C1 ZINC001046670063 1347057437 /nfs/dbraw/zinc/05/74/37/1347057437.db2.gz BETFHDNJWQPZIE-GOSISDBHSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C)c(OCC)c2)C1 ZINC001046670063 1347057438 /nfs/dbraw/zinc/05/74/38/1347057438.db2.gz BETFHDNJWQPZIE-GOSISDBHSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cccc(C(F)(F)F)n2)C1 ZINC001046724663 1347073076 /nfs/dbraw/zinc/07/30/76/1347073076.db2.gz NYEMQAGNEQVFAM-CQSZACIVSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(C(F)(F)F)n2)C1 ZINC001046724663 1347073079 /nfs/dbraw/zinc/07/30/79/1347073079.db2.gz NYEMQAGNEQVFAM-CQSZACIVSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(N(C)CCC)cc2)C1 ZINC001046878327 1347142521 /nfs/dbraw/zinc/14/25/21/1347142521.db2.gz ZKNJAHZHBOKTCM-IBGZPJMESA-N 1 2 349.906 3.480 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(N(C)CCC)cc2)C1 ZINC001046878327 1347142522 /nfs/dbraw/zinc/14/25/22/1347142522.db2.gz ZKNJAHZHBOKTCM-IBGZPJMESA-N 1 2 349.906 3.480 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC1(C)C ZINC001049416117 1347838650 /nfs/dbraw/zinc/83/86/50/1347838650.db2.gz QMYLOJMCCCTAIC-HZSPNIEDSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC1(C)C ZINC001049416117 1347838654 /nfs/dbraw/zinc/83/86/54/1347838654.db2.gz QMYLOJMCCCTAIC-HZSPNIEDSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccon1 ZINC001049505176 1347882261 /nfs/dbraw/zinc/88/22/61/1347882261.db2.gz OPXUJZZJHMGVQT-CABCVRRESA-N 1 2 337.851 3.019 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccon1 ZINC001049505176 1347882266 /nfs/dbraw/zinc/88/22/66/1347882266.db2.gz OPXUJZZJHMGVQT-CABCVRRESA-N 1 2 337.851 3.019 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1coc(C)n1 ZINC001049632744 1347944299 /nfs/dbraw/zinc/94/42/99/1347944299.db2.gz AXEOQRAWBYCQCW-SJORKVTESA-N 1 2 331.460 3.151 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1coc(C)n1 ZINC001049632744 1347944301 /nfs/dbraw/zinc/94/43/01/1347944301.db2.gz AXEOQRAWBYCQCW-SJORKVTESA-N 1 2 331.460 3.151 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1nc(C2CC2)oc1C ZINC001049829346 1348043838 /nfs/dbraw/zinc/04/38/38/1348043838.db2.gz SPKZGWUCWFFUIC-HUUCEWRRSA-N 1 2 349.862 3.292 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1nc(C2CC2)oc1C ZINC001049829346 1348043841 /nfs/dbraw/zinc/04/38/41/1348043841.db2.gz SPKZGWUCWFFUIC-HUUCEWRRSA-N 1 2 349.862 3.292 20 30 EGEDLO CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001049855053 1348061969 /nfs/dbraw/zinc/06/19/69/1348061969.db2.gz AOQHCVUVEWTNTR-QZTJIDSGSA-N 1 2 343.446 3.309 20 30 EGEDLO CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001049855053 1348061971 /nfs/dbraw/zinc/06/19/71/1348061971.db2.gz AOQHCVUVEWTNTR-QZTJIDSGSA-N 1 2 343.446 3.309 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(C)c(CC)o3)[C@@H]2C1 ZINC001050180747 1348203449 /nfs/dbraw/zinc/20/34/49/1348203449.db2.gz LZFNQXDBELSQTN-LSDHHAIUSA-N 1 2 336.863 3.439 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(C)c(CC)o3)[C@@H]2C1 ZINC001050180747 1348203451 /nfs/dbraw/zinc/20/34/51/1348203451.db2.gz LZFNQXDBELSQTN-LSDHHAIUSA-N 1 2 336.863 3.439 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3occ4c3CCCC4)[C@@H]2C1 ZINC001050191551 1348207331 /nfs/dbraw/zinc/20/73/31/1348207331.db2.gz AZAMTNRCNJVWJT-WMLDXEAASA-N 1 2 348.874 3.447 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)c3occ4c3CCCC4)[C@@H]2C1 ZINC001050191551 1348207333 /nfs/dbraw/zinc/20/73/33/1348207333.db2.gz AZAMTNRCNJVWJT-WMLDXEAASA-N 1 2 348.874 3.447 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1coc2cc(C)c(C)cc21 ZINC001051046278 1348386979 /nfs/dbraw/zinc/38/69/79/1348386979.db2.gz LQZJNMJQIXEVOX-MRXNPFEDSA-N 1 2 342.439 3.056 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1coc2cc(C)c(C)cc21 ZINC001051046278 1348386982 /nfs/dbraw/zinc/38/69/82/1348386982.db2.gz LQZJNMJQIXEVOX-MRXNPFEDSA-N 1 2 342.439 3.056 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1c(Cl)cccc1Cl ZINC001051224711 1348406073 /nfs/dbraw/zinc/40/60/73/1348406073.db2.gz ZLLGNDNMRLYUDP-LBPRGKRZSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c(Cl)cccc1Cl ZINC001051224711 1348406075 /nfs/dbraw/zinc/40/60/75/1348406075.db2.gz ZLLGNDNMRLYUDP-LBPRGKRZSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1oc2c(cccc2C)c1C ZINC001051255972 1348409675 /nfs/dbraw/zinc/40/96/75/1348409675.db2.gz SLZBOYYOIKNANL-INIZCTEOSA-N 1 2 342.439 3.056 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1oc2c(cccc2C)c1C ZINC001051255972 1348409677 /nfs/dbraw/zinc/40/96/77/1348409677.db2.gz SLZBOYYOIKNANL-INIZCTEOSA-N 1 2 342.439 3.056 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)c3ccncc3)cccc2C1 ZINC001051275778 1348414315 /nfs/dbraw/zinc/41/43/15/1348414315.db2.gz WGIRPJBJUDXTRJ-UHFFFAOYSA-N 1 2 341.842 3.122 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)c3ccncc3)cccc2C1 ZINC001051275778 1348414316 /nfs/dbraw/zinc/41/43/16/1348414316.db2.gz WGIRPJBJUDXTRJ-UHFFFAOYSA-N 1 2 341.842 3.122 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)C3CC(C)C3)cccc2C1 ZINC001051284246 1348417781 /nfs/dbraw/zinc/41/77/81/1348417781.db2.gz MLUVLKXIUOYNOW-UHFFFAOYSA-N 1 2 332.875 3.460 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)C3CC(C)C3)cccc2C1 ZINC001051284246 1348417784 /nfs/dbraw/zinc/41/77/84/1348417784.db2.gz MLUVLKXIUOYNOW-UHFFFAOYSA-N 1 2 332.875 3.460 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)c3ccsn3)cccc2C1 ZINC001051293270 1348422327 /nfs/dbraw/zinc/42/23/27/1348422327.db2.gz PYCGRGUXDODCNF-UHFFFAOYSA-N 1 2 347.871 3.184 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)c3ccsn3)cccc2C1 ZINC001051293270 1348422328 /nfs/dbraw/zinc/42/23/28/1348422328.db2.gz PYCGRGUXDODCNF-UHFFFAOYSA-N 1 2 347.871 3.184 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+]([C@@H](C)c3csnn3)CC2)CC1 ZINC001052681940 1348628674 /nfs/dbraw/zinc/62/86/74/1348628674.db2.gz KBLSBRLFHKIRLN-HOCLYGCPSA-N 1 2 348.516 3.316 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)c3csnn3)CC2)CC1 ZINC001052681940 1348628675 /nfs/dbraw/zinc/62/86/75/1348628675.db2.gz KBLSBRLFHKIRLN-HOCLYGCPSA-N 1 2 348.516 3.316 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1)CCO2 ZINC001053473012 1349040091 /nfs/dbraw/zinc/04/00/91/1349040091.db2.gz UESQLRVXYXYIOJ-QZTJIDSGSA-N 1 2 348.531 3.328 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1)CCO2 ZINC001053473013 1349040235 /nfs/dbraw/zinc/04/02/35/1349040235.db2.gz UESQLRVXYXYIOJ-ROUUACIJSA-N 1 2 348.531 3.328 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C)c(CC)s1)O2 ZINC001053696332 1349096205 /nfs/dbraw/zinc/09/62/05/1349096205.db2.gz GGPDNMNXFVADRP-OAHLLOKOSA-N 1 2 348.512 3.158 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(C(C)C)s1)O2 ZINC001053701831 1349098563 /nfs/dbraw/zinc/09/85/63/1349098563.db2.gz GZMNHGPBWJRDNB-HNNXBMFYSA-N 1 2 348.512 3.411 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3sccc3c1)CO2 ZINC001053970023 1349126898 /nfs/dbraw/zinc/12/68/98/1349126898.db2.gz DGIVCWJKIPGAAI-INIZCTEOSA-N 1 2 342.464 3.051 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001054041191 1349136570 /nfs/dbraw/zinc/13/65/70/1349136570.db2.gz JEKKCMOMYNIGEH-PZJWPPBQSA-N 1 2 336.479 3.299 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001054041191 1349136572 /nfs/dbraw/zinc/13/65/72/1349136572.db2.gz JEKKCMOMYNIGEH-PZJWPPBQSA-N 1 2 336.479 3.299 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccoc3C(F)(F)F)cc2C1 ZINC001054266823 1349263788 /nfs/dbraw/zinc/26/37/88/1349263788.db2.gz NHIWWQZQVLJFAP-UHFFFAOYSA-N 1 2 348.324 3.177 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccoc3C(F)(F)F)cc2C1 ZINC001054266823 1349263791 /nfs/dbraw/zinc/26/37/91/1349263791.db2.gz NHIWWQZQVLJFAP-UHFFFAOYSA-N 1 2 348.324 3.177 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[C@@H]3C3CC3)cc2C1 ZINC001054275435 1349275860 /nfs/dbraw/zinc/27/58/60/1349275860.db2.gz QIDUNCZVLMHQDI-NHCUHLMSSA-N 1 2 336.479 3.468 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[C@@H]3C3CC3)cc2C1 ZINC001054275435 1349275862 /nfs/dbraw/zinc/27/58/62/1349275862.db2.gz QIDUNCZVLMHQDI-NHCUHLMSSA-N 1 2 336.479 3.468 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc(C4CC4)cc3)cc2C1 ZINC001054291669 1349297160 /nfs/dbraw/zinc/29/71/60/1349297160.db2.gz BLAYGRSDCBHXHK-UHFFFAOYSA-N 1 2 330.431 3.443 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc(C4CC4)cc3)cc2C1 ZINC001054291669 1349297165 /nfs/dbraw/zinc/29/71/65/1349297165.db2.gz BLAYGRSDCBHXHK-UHFFFAOYSA-N 1 2 330.431 3.443 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)cc2C1 ZINC001054293006 1349299113 /nfs/dbraw/zinc/29/91/13/1349299113.db2.gz IWZUYHFXZGYNEM-LEWJYISDSA-N 1 2 348.421 3.194 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)cc2C1 ZINC001054293006 1349299116 /nfs/dbraw/zinc/29/91/16/1349299116.db2.gz IWZUYHFXZGYNEM-LEWJYISDSA-N 1 2 348.421 3.194 20 30 EGEDLO C=C1CCC(C(=O)NC2CC3(C2)CC(Nc2cc[nH+]c(C)n2)C3)CC1 ZINC001056536587 1349847449 /nfs/dbraw/zinc/84/74/49/1349847449.db2.gz XZGNTBKVLWYKIG-UHFFFAOYSA-N 1 2 340.471 3.371 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H](CN(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001062159329 1351468619 /nfs/dbraw/zinc/46/86/19/1351468619.db2.gz VQADFKRFQNUIOP-OAHLLOKOSA-N 1 2 342.487 3.159 20 30 EGEDLO C#Cc1ccc(C(=O)N2CC[C@H](Nc3cc[nH+]c(C)n3)[C@@H](CC)C2)cc1 ZINC001064407647 1352567861 /nfs/dbraw/zinc/56/78/61/1352567861.db2.gz KBJLEYUHXOEHBD-HKUYNNGSSA-N 1 2 348.450 3.119 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@@H](Nc3cc[nH+]c(C)n3)[C@H](CC)C2)C1 ZINC001064415658 1352574102 /nfs/dbraw/zinc/57/41/02/1352574102.db2.gz XXKSDLHCTMXTCZ-HZPDHXFCSA-N 1 2 328.460 3.180 20 30 EGEDLO C=C1CCC(C(=O)N[C@@]2(C)CCN(c3nc(C)[nH+]c(C)c3C)C2)CC1 ZINC001065325776 1352769532 /nfs/dbraw/zinc/76/95/32/1352769532.db2.gz IADNZPIDJVNGPU-FQEVSTJZSA-N 1 2 342.487 3.233 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(c3nc(C)[nH+]c(C)c3C)C[C@H]2C)C1 ZINC001067435046 1353395602 /nfs/dbraw/zinc/39/56/02/1353395602.db2.gz HAJRLIUXVQZCFI-CXAGYDPISA-N 1 2 342.487 3.089 20 30 EGEDLO C=C(C)CCC(=O)N(C)CCCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001067567208 1353439721 /nfs/dbraw/zinc/43/97/21/1353439721.db2.gz AHPPTLSVVDAYOG-UHFFFAOYSA-N 1 2 345.487 3.284 20 30 EGEDLO C=CCCCC(=O)N(C)CCCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001067913547 1353581193 /nfs/dbraw/zinc/58/11/93/1353581193.db2.gz KAZAXKGAGPHWFV-UHFFFAOYSA-N 1 2 345.487 3.284 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@]2(C)CN(c3cc[nH+]c(C)n3)C[C@@]2(C)C1 ZINC001068426644 1353713417 /nfs/dbraw/zinc/71/34/17/1353713417.db2.gz DORULQOCKOMEJI-SLFFLAALSA-N 1 2 342.487 3.062 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccn2C2CCCC2)C1 ZINC001080677517 1357720973 /nfs/dbraw/zinc/72/09/73/1357720973.db2.gz VCOXGVJSSAIUFQ-CZUORRHYSA-N 1 2 335.879 3.406 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccn2C2CCCC2)C1 ZINC001080677517 1357720976 /nfs/dbraw/zinc/72/09/76/1357720976.db2.gz VCOXGVJSSAIUFQ-CZUORRHYSA-N 1 2 335.879 3.406 20 30 EGEDLO Cc1occc1C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001071340276 1354606119 /nfs/dbraw/zinc/60/61/19/1354606119.db2.gz MGYHDXKJAPZKCM-RDTXWAMCSA-N 1 2 337.423 3.243 20 30 EGEDLO Cc1occc1C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001071340276 1354606123 /nfs/dbraw/zinc/60/61/23/1354606123.db2.gz MGYHDXKJAPZKCM-RDTXWAMCSA-N 1 2 337.423 3.243 20 30 EGEDLO Cc1cnccc1C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001071494740 1354727335 /nfs/dbraw/zinc/72/73/35/1354727335.db2.gz XFNXUKQDOIPYOV-LPHOPBHVSA-N 1 2 348.450 3.045 20 30 EGEDLO Cc1cnccc1C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001071494740 1354727339 /nfs/dbraw/zinc/72/73/39/1354727339.db2.gz XFNXUKQDOIPYOV-LPHOPBHVSA-N 1 2 348.450 3.045 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2ccc(F)cc2F)CC[C@H]1C ZINC001071523328 1354744464 /nfs/dbraw/zinc/74/44/64/1354744464.db2.gz XYRYMNUXWGLNTB-IUODEOHRSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2ccc(F)cc2F)CC[C@H]1C ZINC001071523328 1354744469 /nfs/dbraw/zinc/74/44/69/1354744469.db2.gz XYRYMNUXWGLNTB-IUODEOHRSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cccc3c2COCC3)CC[C@@H]1C ZINC001071564105 1354765874 /nfs/dbraw/zinc/76/58/74/1354765874.db2.gz AAIQCCXFHSHCHC-HOCLYGCPSA-N 1 2 348.874 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cccc3c2COCC3)CC[C@@H]1C ZINC001071564105 1354765876 /nfs/dbraw/zinc/76/58/76/1354765876.db2.gz AAIQCCXFHSHCHC-HOCLYGCPSA-N 1 2 348.874 3.095 20 30 EGEDLO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2n[nH]c3ccc(C)cc32)CC[C@@H]1C ZINC001071642392 1354822075 /nfs/dbraw/zinc/82/20/75/1354822075.db2.gz PGKQYEHLFCEFEP-HOTGVXAUSA-N 1 2 340.471 3.420 20 30 EGEDLO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2n[nH]c3ccc(C)cc32)CC[C@@H]1C ZINC001071642392 1354822076 /nfs/dbraw/zinc/82/20/76/1354822076.db2.gz PGKQYEHLFCEFEP-HOTGVXAUSA-N 1 2 340.471 3.420 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc(OC)cc2F)CC[C@@H]1C ZINC001071647733 1354825805 /nfs/dbraw/zinc/82/58/05/1354825805.db2.gz JIYXCSNGSJTZJN-QWHCGFSZSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc(OC)cc2F)CC[C@@H]1C ZINC001071647733 1354825810 /nfs/dbraw/zinc/82/58/10/1354825810.db2.gz JIYXCSNGSJTZJN-QWHCGFSZSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2sc(C)nc2C)CC[C@H]1C ZINC001071697841 1354858628 /nfs/dbraw/zinc/85/86/28/1354858628.db2.gz GQOQZKFRBWIRQG-RISCZKNCSA-N 1 2 341.908 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2sc(C)nc2C)CC[C@H]1C ZINC001071697841 1354858636 /nfs/dbraw/zinc/85/86/36/1354858636.db2.gz GQOQZKFRBWIRQG-RISCZKNCSA-N 1 2 341.908 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc(C(C)C)on2)CC[C@H]1C ZINC001071705263 1354863924 /nfs/dbraw/zinc/86/39/24/1354863924.db2.gz MSQVQGPJXXHXRI-CHWSQXEVSA-N 1 2 325.840 3.133 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc(C(C)C)on2)CC[C@H]1C ZINC001071705263 1354863929 /nfs/dbraw/zinc/86/39/29/1354863929.db2.gz MSQVQGPJXXHXRI-CHWSQXEVSA-N 1 2 325.840 3.133 20 30 EGEDLO Cc1cocc1C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001071743533 1354895498 /nfs/dbraw/zinc/89/54/98/1354895498.db2.gz ACNAUUPJYYBVBA-QAPCUYQASA-N 1 2 337.423 3.243 20 30 EGEDLO Cc1cocc1C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001071743533 1354895501 /nfs/dbraw/zinc/89/55/01/1354895501.db2.gz ACNAUUPJYYBVBA-QAPCUYQASA-N 1 2 337.423 3.243 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc(OC)cc2C)CC[C@H]1C ZINC001071779581 1354927629 /nfs/dbraw/zinc/92/76/29/1354927629.db2.gz LVHFBXAPNKQZDO-HUUCEWRRSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc(OC)cc2C)CC[C@H]1C ZINC001071779581 1354927632 /nfs/dbraw/zinc/92/76/32/1354927632.db2.gz LVHFBXAPNKQZDO-HUUCEWRRSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3ccn(CC)n3)C2)CC1 ZINC001071794480 1354939015 /nfs/dbraw/zinc/93/90/15/1354939015.db2.gz CGLLJAWVPMQPEN-AEFFLSMTSA-N 1 2 344.503 3.119 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3ccn(CC)n3)C2)CC1 ZINC001071794480 1354939018 /nfs/dbraw/zinc/93/90/18/1354939018.db2.gz CGLLJAWVPMQPEN-AEFFLSMTSA-N 1 2 344.503 3.119 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3nc(C)cs3)C2)C1 ZINC001071802677 1354945163 /nfs/dbraw/zinc/94/51/63/1354945163.db2.gz ALSJNXBGTBFCNN-HUUCEWRRSA-N 1 2 333.501 3.277 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3nc(C)cs3)C2)C1 ZINC001071802677 1354945169 /nfs/dbraw/zinc/94/51/69/1354945169.db2.gz ALSJNXBGTBFCNN-HUUCEWRRSA-N 1 2 333.501 3.277 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3ccn(C(C)C)n3)C2)C1 ZINC001071804293 1354947694 /nfs/dbraw/zinc/94/76/94/1354947694.db2.gz ZRGCPFFPDHQSQX-IRXDYDNUSA-N 1 2 344.503 3.289 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3ccn(C(C)C)n3)C2)C1 ZINC001071804293 1354947701 /nfs/dbraw/zinc/94/77/01/1354947701.db2.gz ZRGCPFFPDHQSQX-IRXDYDNUSA-N 1 2 344.503 3.289 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2cccc(F)c2F)CC[C@H]1C ZINC001071852029 1354980656 /nfs/dbraw/zinc/98/06/56/1354980656.db2.gz UHZHQYQBRMWICM-OCCSQVGLSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2cccc(F)c2F)CC[C@H]1C ZINC001071852029 1354980662 /nfs/dbraw/zinc/98/06/62/1354980662.db2.gz UHZHQYQBRMWICM-OCCSQVGLSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2cccc(F)c2F)CC[C@@H]1C ZINC001071852028 1354981238 /nfs/dbraw/zinc/98/12/38/1354981238.db2.gz UHZHQYQBRMWICM-JSGCOSHPSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2cccc(F)c2F)CC[C@@H]1C ZINC001071852028 1354981246 /nfs/dbraw/zinc/98/12/46/1354981246.db2.gz UHZHQYQBRMWICM-JSGCOSHPSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc(C3CC3)cn2)CC[C@@H]1C ZINC001072037074 1355093721 /nfs/dbraw/zinc/09/37/21/1355093721.db2.gz JFOGQPPMOGCSCK-XJKSGUPXSA-N 1 2 333.863 3.294 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc(C3CC3)cn2)CC[C@@H]1C ZINC001072037074 1355093722 /nfs/dbraw/zinc/09/37/22/1355093722.db2.gz JFOGQPPMOGCSCK-XJKSGUPXSA-N 1 2 333.863 3.294 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cccc(C3CC3)c2)C1 ZINC001073904649 1355947791 /nfs/dbraw/zinc/94/77/91/1355947791.db2.gz KOJTWIHSDROQML-SFHVURJKSA-N 1 2 348.874 3.137 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(C3CC3)c2)C1 ZINC001073904649 1355947796 /nfs/dbraw/zinc/94/77/96/1355947796.db2.gz KOJTWIHSDROQML-SFHVURJKSA-N 1 2 348.874 3.137 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCC[N@@H+](Cc3cccc(C)c3)[C@@H]2C1 ZINC001074312885 1356163577 /nfs/dbraw/zinc/16/35/77/1356163577.db2.gz UHUZYLDEGOAVRZ-RTBURBONSA-N 1 2 342.483 3.009 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCC[N@H+](Cc3cccc(C)c3)[C@@H]2C1 ZINC001074312885 1356163581 /nfs/dbraw/zinc/16/35/81/1356163581.db2.gz UHUZYLDEGOAVRZ-RTBURBONSA-N 1 2 342.483 3.009 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3c(C)cccc3Cl)C[C@@H]21 ZINC001074329805 1356171688 /nfs/dbraw/zinc/17/16/88/1356171688.db2.gz QLRPPENACZABME-IRXDYDNUSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3c(C)cccc3Cl)C[C@@H]21 ZINC001074329805 1356171691 /nfs/dbraw/zinc/17/16/91/1356171691.db2.gz QLRPPENACZABME-IRXDYDNUSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)C3CCCCC3)C[C@H]21 ZINC001074354894 1356180290 /nfs/dbraw/zinc/18/02/90/1356180290.db2.gz XTCYYWYCARMENP-RTBURBONSA-N 1 2 348.531 3.471 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)C3CCCCC3)C[C@H]21 ZINC001074354894 1356180292 /nfs/dbraw/zinc/18/02/92/1356180292.db2.gz XTCYYWYCARMENP-RTBURBONSA-N 1 2 348.531 3.471 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc(C(C)C)c3)C[C@@H]21 ZINC001074377736 1356189036 /nfs/dbraw/zinc/18/90/36/1356189036.db2.gz QCGNSSJRIYKEIG-PMACEKPBSA-N 1 2 342.483 3.301 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc(C(C)C)c3)C[C@@H]21 ZINC001074377736 1356189039 /nfs/dbraw/zinc/18/90/39/1356189039.db2.gz QCGNSSJRIYKEIG-PMACEKPBSA-N 1 2 342.483 3.301 20 30 EGEDLO 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C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)[C@H](C)CO4)[C@@H]2C1 ZINC001076159155 1356509748 /nfs/dbraw/zinc/50/97/48/1356509748.db2.gz URLQKJPWRKHEQH-ISTRZQFTSA-N 1 2 346.858 3.081 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Oc3cccc(C)c3)[C@@H]2C1 ZINC001076540229 1356612385 /nfs/dbraw/zinc/61/23/85/1356612385.db2.gz DIRZQNWLNGZAAY-XYJFISCASA-N 1 2 348.874 3.048 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Oc3cccc(C)c3)[C@@H]2C1 ZINC001076540229 1356612388 /nfs/dbraw/zinc/61/23/88/1356612388.db2.gz DIRZQNWLNGZAAY-XYJFISCASA-N 1 2 348.874 3.048 20 30 EGEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1ccc(N2CCOC2=O)cc1 ZINC001323088802 1387286399 /nfs/dbraw/zinc/28/63/99/1387286399.db2.gz SXLYNMCJZGCYJT-JXMROGBWSA-N 1 2 337.379 3.000 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C4CC4)no3)C[C@H]21 ZINC001084574182 1358241638 /nfs/dbraw/zinc/24/16/38/1358241638.db2.gz UNVMHQZEQYFOEP-CRAIPNDOSA-N 1 2 343.471 3.187 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C4CC4)no3)C[C@H]21 ZINC001084574182 1358241643 /nfs/dbraw/zinc/24/16/43/1358241643.db2.gz UNVMHQZEQYFOEP-CRAIPNDOSA-N 1 2 343.471 3.187 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)cc3F)C[C@H]21 ZINC001084578273 1358242248 /nfs/dbraw/zinc/24/22/48/1358242248.db2.gz SNRQCMRGMSXLHP-RHSMWYFYSA-N 1 2 334.410 3.210 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)cc3F)C[C@H]21 ZINC001084578273 1358242253 /nfs/dbraw/zinc/24/22/53/1358242253.db2.gz SNRQCMRGMSXLHP-RHSMWYFYSA-N 1 2 334.410 3.210 20 30 EGEDLO CC(C)(C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C1CCC1 ZINC001323272582 1387320802 /nfs/dbraw/zinc/32/08/02/1387320802.db2.gz KSWJALRVEIMKKQ-AWEZNQCLSA-N 1 2 331.485 3.137 20 30 EGEDLO CC(C)(C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C1CCC1 ZINC001323272582 1387320804 /nfs/dbraw/zinc/32/08/04/1387320804.db2.gz KSWJALRVEIMKKQ-AWEZNQCLSA-N 1 2 331.485 3.137 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@@H+](Cc4nc(C)sc4C)C[C@H]32)C1 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/nfs/dbraw/zinc/50/95/74/1358509574.db2.gz OEBYDBSDBVSJPC-CYBMUJFWSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)c1ccccc1F ZINC001085456613 1358509577 /nfs/dbraw/zinc/50/95/77/1358509577.db2.gz OEBYDBSDBVSJPC-CYBMUJFWSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)C1C(C)(C)C1(C)C ZINC001085537148 1358574612 /nfs/dbraw/zinc/57/46/12/1358574612.db2.gz RKSSSRBGLIKUMY-CYBMUJFWSA-N 1 2 345.512 3.335 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)C1C(C)(C)C1(C)C ZINC001085537148 1358574616 /nfs/dbraw/zinc/57/46/16/1358574616.db2.gz RKSSSRBGLIKUMY-CYBMUJFWSA-N 1 2 345.512 3.335 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1)C(=O)C1=CCCC1 ZINC001085547233 1358583908 /nfs/dbraw/zinc/58/39/08/1358583908.db2.gz QZFJFJMXQCCKKI-LJQANCHMSA-N 1 2 342.870 3.335 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1)C(=O)C1=CCCC1 ZINC001085547233 1358583911 /nfs/dbraw/zinc/58/39/11/1358583911.db2.gz QZFJFJMXQCCKKI-LJQANCHMSA-N 1 2 342.870 3.335 20 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ZINC001085806652 1358783929 /nfs/dbraw/zinc/78/39/29/1358783929.db2.gz MZGGWYHJBMDRLG-BPQIPLTHSA-N 1 2 343.446 3.166 20 30 EGEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c(s1)CCCCC2 ZINC001085957927 1358914966 /nfs/dbraw/zinc/91/49/66/1358914966.db2.gz NUGHNWXKWHXJMB-MRXNPFEDSA-N 1 2 330.497 3.187 20 30 EGEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c(s1)CCCCC2 ZINC001085957927 1358914969 /nfs/dbraw/zinc/91/49/69/1358914969.db2.gz NUGHNWXKWHXJMB-MRXNPFEDSA-N 1 2 330.497 3.187 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001086581636 1359154884 /nfs/dbraw/zinc/15/48/84/1359154884.db2.gz HEBOEJONRIVJAA-ZWJWXYIHSA-N 1 2 344.886 3.369 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001086581636 1359154886 /nfs/dbraw/zinc/15/48/86/1359154886.db2.gz HEBOEJONRIVJAA-ZWJWXYIHSA-N 1 2 344.886 3.369 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)C2(C)CC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001087581391 1359540540 /nfs/dbraw/zinc/54/05/40/1359540540.db2.gz FYNJYWCYDNAPHP-ZWKOTPCHSA-N 1 2 344.886 3.461 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)C2(C)CC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001087581391 1359540541 /nfs/dbraw/zinc/54/05/41/1359540541.db2.gz FYNJYWCYDNAPHP-ZWKOTPCHSA-N 1 2 344.886 3.461 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2occ3c2CCCC3)[C@H]1CC ZINC001087809945 1359659048 /nfs/dbraw/zinc/65/90/48/1359659048.db2.gz TTXMQFSSPNBKNH-JKSUJKDBSA-N 1 2 336.863 3.494 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2occ3c2CCCC3)[C@H]1CC ZINC001087809945 1359659049 /nfs/dbraw/zinc/65/90/49/1359659049.db2.gz TTXMQFSSPNBKNH-JKSUJKDBSA-N 1 2 336.863 3.494 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+](C/C(Cl)=C\Cl)CC[C@@H]3C2)C1 ZINC001088098348 1359756082 /nfs/dbraw/zinc/75/60/82/1359756082.db2.gz FPIMGFRWTXIPNA-MFCMZOHRSA-N 1 2 343.298 3.442 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@H+](C/C(Cl)=C\Cl)CC[C@@H]3C2)C1 ZINC001088098348 1359756085 /nfs/dbraw/zinc/75/60/85/1359756085.db2.gz FPIMGFRWTXIPNA-MFCMZOHRSA-N 1 2 343.298 3.442 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C(C)(C)F)CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC001088444260 1359908725 /nfs/dbraw/zinc/90/87/25/1359908725.db2.gz SNVIOFGEWKNSEG-CJNGLKHVSA-N 1 2 336.838 3.019 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C(C)(C)F)CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001088444260 1359908731 /nfs/dbraw/zinc/90/87/31/1359908731.db2.gz SNVIOFGEWKNSEG-CJNGLKHVSA-N 1 2 336.838 3.019 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC=CCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088465390 1359925986 /nfs/dbraw/zinc/92/59/86/1359925986.db2.gz NMMBAPOCXCWCJK-CLCXKQKWSA-N 1 2 341.430 3.133 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC=CCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001088465390 1359925989 /nfs/dbraw/zinc/92/59/89/1359925989.db2.gz NMMBAPOCXCWCJK-CLCXKQKWSA-N 1 2 341.430 3.133 20 30 EGEDLO CCc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)o1 ZINC001088670584 1360009875 /nfs/dbraw/zinc/00/98/75/1360009875.db2.gz NRSZKTVCDIESJU-KDOFPFPSSA-N 1 2 337.423 3.106 20 30 EGEDLO CCc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)o1 ZINC001088670584 1360009878 /nfs/dbraw/zinc/00/98/78/1360009878.db2.gz NRSZKTVCDIESJU-KDOFPFPSSA-N 1 2 337.423 3.106 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2c(F)cccc2F)[C@H]1C ZINC001088748404 1360029651 /nfs/dbraw/zinc/02/96/51/1360029651.db2.gz DDWLNTZCQBBEKB-ZOWXZIJZSA-N 1 2 342.817 3.400 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2c(F)cccc2F)[C@H]1C ZINC001088748404 1360029654 /nfs/dbraw/zinc/02/96/54/1360029654.db2.gz DDWLNTZCQBBEKB-ZOWXZIJZSA-N 1 2 342.817 3.400 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3ccncc3Cl)[C@@H]2C)C1 ZINC001088839781 1360073689 /nfs/dbraw/zinc/07/36/89/1360073689.db2.gz DSTKGJLSAUSAOD-CJNGLKHVSA-N 1 2 333.863 3.170 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3ccncc3Cl)[C@@H]2C)C1 ZINC001088839781 1360073693 /nfs/dbraw/zinc/07/36/93/1360073693.db2.gz DSTKGJLSAUSAOD-CJNGLKHVSA-N 1 2 333.863 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(-c3cn[nH]c3)cc2)[C@H]1C ZINC001088916106 1360102609 /nfs/dbraw/zinc/10/26/09/1360102609.db2.gz GSRFQJUULAUKKO-DYVFJYSZSA-N 1 2 344.846 3.022 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3cn[nH]c3)cc2)[C@H]1C ZINC001088916106 1360102612 /nfs/dbraw/zinc/10/26/12/1360102612.db2.gz GSRFQJUULAUKKO-DYVFJYSZSA-N 1 2 344.846 3.022 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@]2(c3ccccc3)CCCO2)[C@H]1C ZINC001089003872 1360133633 /nfs/dbraw/zinc/13/36/33/1360133633.db2.gz NABXYRFZSKXROE-AYBZRNKSSA-N 1 2 348.874 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(c3ccccc3)CCCO2)[C@H]1C ZINC001089003872 1360133638 /nfs/dbraw/zinc/13/36/38/1360133638.db2.gz NABXYRFZSKXROE-AYBZRNKSSA-N 1 2 348.874 3.024 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CCC(C(F)F)CC2)[C@H]1C ZINC001089012927 1360136501 /nfs/dbraw/zinc/13/65/01/1360136501.db2.gz UNMGIUFUSRZPND-RYSNWHEDSA-N 1 2 334.838 3.389 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CCC(C(F)F)CC2)[C@H]1C ZINC001089012927 1360136502 /nfs/dbraw/zinc/13/65/02/1360136502.db2.gz UNMGIUFUSRZPND-RYSNWHEDSA-N 1 2 334.838 3.389 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2cccc(OC)c2)[C@H]1C ZINC001089062452 1360153288 /nfs/dbraw/zinc/15/32/88/1360153288.db2.gz KOFQLKAQGPHLLH-VBQJREDUSA-N 1 2 336.863 3.130 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2cccc(OC)c2)[C@H]1C ZINC001089062452 1360153289 /nfs/dbraw/zinc/15/32/89/1360153289.db2.gz KOFQLKAQGPHLLH-VBQJREDUSA-N 1 2 336.863 3.130 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc3c2OCC3(C)C)[C@H]1C ZINC001089084330 1360162492 /nfs/dbraw/zinc/16/24/92/1360162492.db2.gz DXUJVXZDZCGSFH-CJNGLKHVSA-N 1 2 348.874 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc3c2OCC3(C)C)[C@H]1C ZINC001089084330 1360162495 /nfs/dbraw/zinc/16/24/95/1360162495.db2.gz DXUJVXZDZCGSFH-CJNGLKHVSA-N 1 2 348.874 3.302 20 30 EGEDLO C#CCCCC(=O)N[C@H](C)C[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001089298920 1360318127 /nfs/dbraw/zinc/31/81/27/1360318127.db2.gz RNKBNMTVHMXNOP-ZIAGYGMSSA-N 1 2 328.460 3.161 20 30 EGEDLO C#CCCCC(=O)N[C@H](C)C[C@@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001089299337 1360318194 /nfs/dbraw/zinc/31/81/94/1360318194.db2.gz TXXZRGXLQGVNRZ-HUUCEWRRSA-N 1 2 330.476 3.407 20 30 EGEDLO Cc1cc(N[C@H](C)C[C@H](C)NC(=O)C#CC(C)C)nc(C(C)C)[nH+]1 ZINC001089308064 1360327280 /nfs/dbraw/zinc/32/72/80/1360327280.db2.gz DQYIFOQXPPDTRI-CABCVRRESA-N 1 2 330.476 3.263 20 30 EGEDLO Cc1cc(N[C@@H](C)C[C@@H](C)NC(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001089313579 1360331991 /nfs/dbraw/zinc/33/19/91/1360331991.db2.gz PFIGIGMTXUMOND-UONOGXRCSA-N 1 2 328.460 3.017 20 30 EGEDLO C=C(Br)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CCC1 ZINC001089601417 1360524460 /nfs/dbraw/zinc/52/44/60/1360524460.db2.gz WWZWAALIBMRSSQ-CQSZACIVSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CCC1 ZINC001089601417 1360524464 /nfs/dbraw/zinc/52/44/64/1360524464.db2.gz WWZWAALIBMRSSQ-CQSZACIVSA-N 1 2 343.309 3.302 20 30 EGEDLO Cc1cc(NCC2(CCNC(=O)C#CC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001089934090 1360751183 /nfs/dbraw/zinc/75/11/83/1360751183.db2.gz AOOGSERVNZBNSD-UHFFFAOYSA-N 1 2 342.487 3.266 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@@H](C)CCCCNc2cc[nH+]c(C)n2)cc1 ZINC001090132016 1360840964 /nfs/dbraw/zinc/84/09/64/1360840964.db2.gz OUFRNQKNJNODSQ-HNNXBMFYSA-N 1 2 336.439 3.167 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C12CCC2 ZINC001090619268 1360915173 /nfs/dbraw/zinc/91/51/73/1360915173.db2.gz WYKKTNLOXQHUHU-HUUCEWRRSA-N 1 2 328.460 3.227 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CN(c3cc[nH+]c(C)n3)C[C@H]2C)CCCCC1 ZINC001090721424 1360928424 /nfs/dbraw/zinc/92/84/24/1360928424.db2.gz OFJLFXWQTKWZPE-NVXWUHKLSA-N 1 2 342.487 3.253 20 30 EGEDLO Cc1cc(N[C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC001090971483 1360965159 /nfs/dbraw/zinc/96/51/59/1360965159.db2.gz VBHVFUNKHIKVOG-GDBMZVCRSA-N 1 2 342.487 3.217 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001092440732 1361385074 /nfs/dbraw/zinc/38/50/74/1361385074.db2.gz LQAWPQOBKVSMJE-YXKFXFPPSA-N 1 2 344.503 3.193 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001092623158 1361424476 /nfs/dbraw/zinc/42/44/76/1361424476.db2.gz GKIYZUVNHPFKSM-GDBMZVCRSA-N 1 2 330.476 3.284 20 30 EGEDLO C=CCCC(=O)N[C@]12CCC[C@H]1CN(c1cc(C)[nH+]c(C(C)C)n1)C2 ZINC001093072829 1361520487 /nfs/dbraw/zinc/52/04/87/1361520487.db2.gz YVHCDFGXXXODAH-JXFKEZNVSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC1CC2(C1)CC(Nc1cc[nH+]c(C)n1)C2 ZINC001093444232 1361625361 /nfs/dbraw/zinc/62/53/61/1361625361.db2.gz CFSHEYPXGJVUTH-XHVMPKOQSA-N 1 2 328.460 3.227 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3cc(C)sc3C)CC2)C1 ZINC001093550663 1361640256 /nfs/dbraw/zinc/64/02/56/1361640256.db2.gz SURVOBAJRNVVJJ-UHFFFAOYSA-N 1 2 348.512 3.246 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC(OC2C[NH+](Cc3ccccc3)C2)CC1 ZINC001093559512 1361642216 /nfs/dbraw/zinc/64/22/16/1361642216.db2.gz RHXHINNGCCCSOC-UHFFFAOYSA-N 1 2 342.483 3.091 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCCCC1)C2 ZINC001095119557 1362020309 /nfs/dbraw/zinc/02/03/09/1362020309.db2.gz JWRUEHRIDGGBTK-AABGKKOBSA-N 1 2 337.467 3.360 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCCCC1)C2 ZINC001095119557 1362020310 /nfs/dbraw/zinc/02/03/10/1362020310.db2.gz JWRUEHRIDGGBTK-AABGKKOBSA-N 1 2 337.467 3.360 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H](N(C)c2nc(C)[nH+]c3c2CCCC3)C1 ZINC001095151242 1362033830 /nfs/dbraw/zinc/03/38/30/1362033830.db2.gz IGWNAXGVDRNSEA-MRXNPFEDSA-N 1 2 342.487 3.057 20 30 EGEDLO C=CCCCC(=O)N1CCC(Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095247754 1362067661 /nfs/dbraw/zinc/06/76/61/1362067661.db2.gz YSXBWJAUSUUQJB-UHFFFAOYSA-N 1 2 328.460 3.422 20 30 EGEDLO C=CCCC1(C(=O)N2CCC(CNc3cc[nH+]c(C)n3)CC2)CC1 ZINC001095270819 1362077943 /nfs/dbraw/zinc/07/79/43/1362077943.db2.gz HWADPGCGUAQIME-UHFFFAOYSA-N 1 2 328.460 3.182 20 30 EGEDLO C=CC1(CC(=O)NCCCN(C)c2cc[nH+]c(C)n2)CCCCC1 ZINC001095589086 1362177828 /nfs/dbraw/zinc/17/78/28/1362177828.db2.gz TYDXKPXVBSHNDC-UHFFFAOYSA-N 1 2 330.476 3.254 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC(CC1)C3)C2 ZINC001095627537 1362190554 /nfs/dbraw/zinc/19/05/54/1362190554.db2.gz IHNBUMPZJVFYHK-ONSXQOKFSA-N 1 2 349.478 3.360 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC(CC1)C3)C2 ZINC001095627537 1362190558 /nfs/dbraw/zinc/19/05/58/1362190558.db2.gz IHNBUMPZJVFYHK-ONSXQOKFSA-N 1 2 349.478 3.360 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3cccnc31)C2 ZINC001095702901 1362205293 /nfs/dbraw/zinc/20/52/93/1362205293.db2.gz GECPDDNMILTMNR-PVAVHDDUSA-N 1 2 341.842 3.322 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3cccnc31)C2 ZINC001095702901 1362205296 /nfs/dbraw/zinc/20/52/96/1362205296.db2.gz GECPDDNMILTMNR-PVAVHDDUSA-N 1 2 341.842 3.322 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H](C)c2ncc(C)o2)cc1 ZINC001095854026 1362256519 /nfs/dbraw/zinc/25/65/19/1362256519.db2.gz IBOKSGDURDXQTE-OAOYMFHYSA-N 1 2 349.434 3.061 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H](C)c2ncc(C)o2)cc1 ZINC001095854026 1362256521 /nfs/dbraw/zinc/25/65/21/1362256521.db2.gz IBOKSGDURDXQTE-OAOYMFHYSA-N 1 2 349.434 3.061 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCCN(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001095947390 1362300351 /nfs/dbraw/zinc/30/03/51/1362300351.db2.gz LDZRCBFOATXFIB-ZBFHGGJFSA-N 1 2 344.503 3.453 20 30 EGEDLO C=C1CC(C)(C(=O)NCCCN(CC)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095962355 1362310710 /nfs/dbraw/zinc/31/07/10/1362310710.db2.gz LLRSJLVXVDRCNG-UHFFFAOYSA-N 1 2 342.487 3.351 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCCN(c1nc(C)[nH+]c(C)c1C)C1CC1 ZINC001096066015 1362362485 /nfs/dbraw/zinc/36/24/85/1362362485.db2.gz QBFHRWZTJCTIBO-ZIAGYGMSSA-N 1 2 344.503 3.335 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCCN(c1nc(C)[nH+]c(C)c1C)C1CC1 ZINC001096072347 1362368939 /nfs/dbraw/zinc/36/89/39/1362368939.db2.gz MYWXHVHAAYDIEA-AWEZNQCLSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ccccn3c1)C2 ZINC001096099197 1362382062 /nfs/dbraw/zinc/38/20/62/1362382062.db2.gz ZAGNMGHHKFGIAF-IKGGRYGDSA-N 1 2 329.831 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ccccn3c1)C2 ZINC001096099197 1362382068 /nfs/dbraw/zinc/38/20/68/1362382068.db2.gz ZAGNMGHHKFGIAF-IKGGRYGDSA-N 1 2 329.831 3.027 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N(C)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001096124160 1362394529 /nfs/dbraw/zinc/39/45/29/1362394529.db2.gz XDRVDMBOOAXPHP-CQSZACIVSA-N 1 2 344.503 3.431 20 30 EGEDLO CC#CCCCC(=O)N(C)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001096128523 1362397595 /nfs/dbraw/zinc/39/75/95/1362397595.db2.gz QOPJPENLNIUEKL-UHFFFAOYSA-N 1 2 342.487 3.023 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096479636 1362529556 /nfs/dbraw/zinc/52/95/56/1362529556.db2.gz GXJZQBPLENIZLN-KXBFYZLASA-N 1 2 330.476 3.206 20 30 EGEDLO Cc1ccc(NC(=O)Nc2ccc(OCC#N)cc2)c(N(C)C)[nH+]1 ZINC001324314574 1387589948 /nfs/dbraw/zinc/58/99/48/1387589948.db2.gz NAPFRWASMZHDSK-UHFFFAOYSA-N 1 2 325.372 3.002 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N[C@H]1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001097094257 1362840289 /nfs/dbraw/zinc/84/02/89/1362840289.db2.gz MGKQMRYBVCSQGS-SDADXPQNSA-N 1 2 342.487 3.181 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001097334830 1362938868 /nfs/dbraw/zinc/93/88/68/1362938868.db2.gz FTIRABSTVFXNOA-INIZCTEOSA-N 1 2 344.503 3.453 20 30 EGEDLO C#CCCCC(=O)NC[C@@H]1CCCCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC001097420360 1362980966 /nfs/dbraw/zinc/98/09/66/1362980966.db2.gz YCKHJHPAXVZQIQ-KRWDZBQOSA-N 1 2 342.487 3.187 20 30 EGEDLO C=CCCC(=O)N1C[C@@H]2CC[C@H](Nc3cc(C)[nH+]c(C4CC4)n3)[C@H]2C1 ZINC001097593444 1363063382 /nfs/dbraw/zinc/06/33/82/1363063382.db2.gz MXSBSACTLXTATC-ULQDDVLXSA-N 1 2 340.471 3.278 20 30 EGEDLO Cc1cocc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001097658132 1363092253 /nfs/dbraw/zinc/09/22/53/1363092253.db2.gz UTUFIIZVKQXIMQ-JLZZUVOBSA-N 1 2 341.436 3.057 20 30 EGEDLO Cc1cocc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001097658132 1363092256 /nfs/dbraw/zinc/09/22/56/1363092256.db2.gz UTUFIIZVKQXIMQ-JLZZUVOBSA-N 1 2 341.436 3.057 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]13C[C@H]1CCCC3)C2 ZINC001097808882 1363127099 /nfs/dbraw/zinc/12/70/99/1363127099.db2.gz FZRKQSVBMDORLE-MMXRJIGESA-N 1 2 349.478 3.360 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]13C[C@H]1CCCC3)C2 ZINC001097808882 1363127102 /nfs/dbraw/zinc/12/71/02/1363127102.db2.gz FZRKQSVBMDORLE-MMXRJIGESA-N 1 2 349.478 3.360 20 30 EGEDLO C=CCCOCC(=O)NC[C@H](C)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001097920211 1363166645 /nfs/dbraw/zinc/16/66/45/1363166645.db2.gz TXXXNGPYFPAXEN-HNNXBMFYSA-N 1 2 348.491 3.233 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](C)Nc2cc(C)[nH+]c(C(C)C)n2)CCC1 ZINC001098092151 1363220734 /nfs/dbraw/zinc/22/07/34/1363220734.db2.gz NWPWDVPHCACOFW-OAHLLOKOSA-N 1 2 328.460 3.019 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3ccccc3[nH]1)C2 ZINC001098346854 1363304501 /nfs/dbraw/zinc/30/45/01/1363304501.db2.gz DAOAADWJIWWWNY-UNEWFSDZSA-N 1 2 329.831 3.256 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3ccccc3[nH]1)C2 ZINC001098346854 1363304504 /nfs/dbraw/zinc/30/45/04/1363304504.db2.gz DAOAADWJIWWWNY-UNEWFSDZSA-N 1 2 329.831 3.256 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H](N(C)c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001098676500 1363430947 /nfs/dbraw/zinc/43/09/47/1363430947.db2.gz ZVLSLBZHWUIWMR-INIZCTEOSA-N 1 2 330.476 3.302 20 30 EGEDLO C=CCCO[C@H](C)C(=O)NCC[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001098904856 1363513572 /nfs/dbraw/zinc/51/35/72/1363513572.db2.gz GDILJEBOVKRSFZ-GOEBONIOSA-N 1 2 348.491 3.196 20 30 EGEDLO CC(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC001098906296 1363514587 /nfs/dbraw/zinc/51/45/87/1363514587.db2.gz WFBBMFIZSNMQLZ-SFHVURJKSA-N 1 2 345.462 3.460 20 30 EGEDLO CC(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1cc(F)ccc1C#N ZINC001098906296 1363514590 /nfs/dbraw/zinc/51/45/90/1363514590.db2.gz WFBBMFIZSNMQLZ-SFHVURJKSA-N 1 2 345.462 3.460 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccncc1Cl ZINC001098975058 1363549340 /nfs/dbraw/zinc/54/93/40/1363549340.db2.gz CIRUNRNRIVQCSE-UKRRQHHQSA-N 1 2 348.878 3.001 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccncc1Cl ZINC001098975058 1363549343 /nfs/dbraw/zinc/54/93/43/1363549343.db2.gz CIRUNRNRIVQCSE-UKRRQHHQSA-N 1 2 348.878 3.001 20 30 EGEDLO Cc1nc(C[N@H+]2CC(C)(C)CC[C@@H]2CNC(=O)[C@@H](C)C#N)c(C)s1 ZINC001098981880 1363554592 /nfs/dbraw/zinc/55/45/92/1363554592.db2.gz GNMUHPMOZIMIGL-SWLSCSKDSA-N 1 2 348.516 3.026 20 30 EGEDLO Cc1nc(C[N@@H+]2CC(C)(C)CC[C@@H]2CNC(=O)[C@@H](C)C#N)c(C)s1 ZINC001098981880 1363554594 /nfs/dbraw/zinc/55/45/94/1363554594.db2.gz GNMUHPMOZIMIGL-SWLSCSKDSA-N 1 2 348.516 3.026 20 30 EGEDLO CC1(C)CC[C@H](CNC(=O)C#CC2CC2)[N@H+](CC=C(Cl)Cl)C1 ZINC001099070542 1363607157 /nfs/dbraw/zinc/60/71/57/1363607157.db2.gz ZEJVEGRHZYCDBZ-CQSZACIVSA-N 1 2 343.298 3.326 20 30 EGEDLO CC1(C)CC[C@H](CNC(=O)C#CC2CC2)[N@@H+](CC=C(Cl)Cl)C1 ZINC001099070542 1363607161 /nfs/dbraw/zinc/60/71/61/1363607161.db2.gz ZEJVEGRHZYCDBZ-CQSZACIVSA-N 1 2 343.298 3.326 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](OCC)C(C)C ZINC001099074672 1363609529 /nfs/dbraw/zinc/60/95/29/1363609529.db2.gz PTIMOXHCMYFSGZ-CVEARBPZSA-N 1 2 344.927 3.407 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](OCC)C(C)C ZINC001099074672 1363609531 /nfs/dbraw/zinc/60/95/31/1363609531.db2.gz PTIMOXHCMYFSGZ-CVEARBPZSA-N 1 2 344.927 3.407 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nonc1C ZINC001099194827 1363686565 /nfs/dbraw/zinc/68/65/65/1363686565.db2.gz STCUBNMYGBMIJK-HZPDHXFCSA-N 1 2 348.491 3.087 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nonc1C ZINC001099194827 1363686569 /nfs/dbraw/zinc/68/65/69/1363686569.db2.gz STCUBNMYGBMIJK-HZPDHXFCSA-N 1 2 348.491 3.087 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2Cc2ccon2)C1 ZINC001099230825 1363703900 /nfs/dbraw/zinc/70/39/00/1363703900.db2.gz XMDWJNZYFRISOJ-INIZCTEOSA-N 1 2 331.460 3.138 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2Cc2ccon2)C1 ZINC001099230825 1363703902 /nfs/dbraw/zinc/70/39/02/1363703902.db2.gz XMDWJNZYFRISOJ-INIZCTEOSA-N 1 2 331.460 3.138 20 30 EGEDLO C=CCC1(C(=O)NCC2CC([NH2+]CC(F)(F)C(F)F)C2)CCC1 ZINC001100647481 1364203753 /nfs/dbraw/zinc/20/37/53/1364203753.db2.gz XRYPFNHRFUCXRN-UHFFFAOYSA-N 1 2 336.373 3.118 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCN(CC)c1nc(C)[nH+]c2c1CCCC2 ZINC001100704944 1364227959 /nfs/dbraw/zinc/22/79/59/1364227959.db2.gz IAXAIVLGEQXTAM-FQEVSTJZSA-N 1 2 344.503 3.209 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCCN1c1nc(C)[nH+]c2c1CCCC2 ZINC001100872480 1364305247 /nfs/dbraw/zinc/30/52/47/1364305247.db2.gz YHHUHMNKEVLSGP-INIZCTEOSA-N 1 2 342.487 3.105 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H]1CCCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC001100889492 1364314123 /nfs/dbraw/zinc/31/41/23/1364314123.db2.gz SCCMXIOISDMFJC-KRWDZBQOSA-N 1 2 342.487 3.187 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001100900333 1364321849 /nfs/dbraw/zinc/32/18/49/1364321849.db2.gz ADVAWYNUNFRNSF-QFBILLFUSA-N 1 2 330.476 3.089 20 30 EGEDLO C=CCCC1(C(=O)NC[C@H]2CCCN2c2nc(C)[nH+]c(C)c2C)CC1 ZINC001100900740 1364322305 /nfs/dbraw/zinc/32/23/05/1364322305.db2.gz IVSNWLRFXCUJPD-QGZVFWFLSA-N 1 2 342.487 3.233 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001101041774 1364386557 /nfs/dbraw/zinc/38/65/57/1364386557.db2.gz MJMIPZNHRYUFNU-KRWDZBQOSA-N 1 2 342.487 3.045 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001101056626 1364394968 /nfs/dbraw/zinc/39/49/68/1364394968.db2.gz VMINMGSHOIEGPE-FOIQADDNSA-N 1 2 342.487 3.207 20 30 EGEDLO C=CC(C)(C)C(=O)NCCN(CCC)c1nc(C)[nH+]c2c1CCCC2 ZINC001101220376 1364470400 /nfs/dbraw/zinc/47/04/00/1364470400.db2.gz CWESDNQYEKLENA-UHFFFAOYSA-N 1 2 344.503 3.209 20 30 EGEDLO C#CCCCCC(=O)N1CCC([C@H](C)Nc2cc[nH+]c(C)n2)CC1 ZINC001102062529 1364829363 /nfs/dbraw/zinc/82/93/63/1364829363.db2.gz OBVSPAKURNOJJN-HNNXBMFYSA-N 1 2 328.460 3.018 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC([C@@H](C)Nc2cc[nH+]c(C)n2)CC1 ZINC001102067134 1364832803 /nfs/dbraw/zinc/83/28/03/1364832803.db2.gz PCWMAIRYVTYBCD-LSDHHAIUSA-N 1 2 330.476 3.426 20 30 EGEDLO Cc1nc(N[C@H](CNC(=O)C#CC(C)(C)C)c2ccccc2)cc[nH+]1 ZINC001102170216 1364910380 /nfs/dbraw/zinc/91/03/80/1364910380.db2.gz DADOCSDVERHORY-QGZVFWFLSA-N 1 2 336.439 3.104 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCC[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102378123 1365031403 /nfs/dbraw/zinc/03/14/03/1365031403.db2.gz NSDANOVGRITHQC-KBXCAEBGSA-N 1 2 344.503 3.337 20 30 EGEDLO C=C(C)CCC(=O)N(C)[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001102736533 1365196052 /nfs/dbraw/zinc/19/60/52/1365196052.db2.gz LINGRDASXNBZEJ-INIZCTEOSA-N 1 2 330.476 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1366138237 /nfs/dbraw/zinc/13/82/37/1366138237.db2.gz VRWDSPNWCWATSO-CQSZACIVSA-N 1 2 330.476 3.279 20 30 EGEDLO Cc1nc(NCC[C@H]2CCCCN2C(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001105065709 1366303517 /nfs/dbraw/zinc/30/35/17/1366303517.db2.gz ZZGMUPSRWUEFIX-MRXNPFEDSA-N 1 2 328.460 3.018 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H]([C@@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001105083328 1366316040 /nfs/dbraw/zinc/31/60/40/1366316040.db2.gz FUFPFFCWGKIHOO-GDBMZVCRSA-N 1 2 330.476 3.426 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2[C@H](CCN2c2nc(C)[nH+]c(C)c2C)C1 ZINC001105630412 1366552465 /nfs/dbraw/zinc/55/24/65/1366552465.db2.gz MJBCXSFTVLYFBG-MSOLQXFVSA-N 1 2 342.487 3.185 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCC[C@H]1CNc1nc(C)[nH+]c2c1CCCC2 ZINC001105646929 1366558126 /nfs/dbraw/zinc/55/81/26/1366558126.db2.gz MFALNQMWYYMVOF-RDJZCZTQSA-N 1 2 342.487 3.327 20 30 EGEDLO Cc1cc(NC[C@H]2CCC[C@@H]2NC(=O)C#CC(C)C)nc(C2CC2)[nH+]1 ZINC001105662872 1366563277 /nfs/dbraw/zinc/56/32/77/1366563277.db2.gz LFVQAOXZJPAMKC-SJORKVTESA-N 1 2 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/nfs/dbraw/zinc/05/62/67/1367056267.db2.gz KLSJJTPLUGGZOJ-QYZOEREBSA-N 1 2 343.446 3.211 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC001109346838 1367074931 /nfs/dbraw/zinc/07/49/31/1367074931.db2.gz NVWJCOFACPMJTG-JKSUJKDBSA-N 1 2 330.476 3.474 20 30 EGEDLO C[N@H+](Cc1ncc(C(C)(C)C)o1)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190084826 1367168510 /nfs/dbraw/zinc/16/85/10/1367168510.db2.gz SMAPFCMBBXUQGK-HNNXBMFYSA-N 1 2 345.487 3.054 20 30 EGEDLO C[N@@H+](Cc1ncc(C(C)(C)C)o1)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190084826 1367168512 /nfs/dbraw/zinc/16/85/12/1367168512.db2.gz SMAPFCMBBXUQGK-HNNXBMFYSA-N 1 2 345.487 3.054 20 30 EGEDLO C=C(C)[C@H](CC(=O)N[C@H](C)CNc1cc(C)[nH+]c(C(C)C)n1)OCC ZINC001107965902 1367221411 /nfs/dbraw/zinc/22/14/11/1367221411.db2.gz RWOVDIPOECLLEG-CVEARBPZSA-N 1 2 348.491 3.196 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001190345545 1367233415 /nfs/dbraw/zinc/23/34/15/1367233415.db2.gz VAGRIBJNALCUFV-KRWDZBQOSA-N 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C=C(C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C(C)(C)C)o2)C1 ZINC001190435257 1367263845 /nfs/dbraw/zinc/26/38/45/1367263845.db2.gz DUDVMISYQMFVOR-OAHLLOKOSA-N 1 2 333.476 3.361 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C(C)(C)C)o2)C1 ZINC001190435257 1367263849 /nfs/dbraw/zinc/26/38/49/1367263849.db2.gz DUDVMISYQMFVOR-OAHLLOKOSA-N 1 2 333.476 3.361 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2nnc(CC(C)C)o2)C1 ZINC001190435655 1367265576 /nfs/dbraw/zinc/26/55/76/1367265576.db2.gz IKTKDKUPILVUAL-JKSUJKDBSA-N 1 2 348.491 3.218 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2nnc(CC(C)C)o2)C1 ZINC001190435655 1367265581 /nfs/dbraw/zinc/26/55/81/1367265581.db2.gz IKTKDKUPILVUAL-JKSUJKDBSA-N 1 2 348.491 3.218 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001108072685 1367267561 /nfs/dbraw/zinc/26/75/61/1367267561.db2.gz PFXBRHKGTWPLQB-UONOGXRCSA-N 1 2 330.476 3.183 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)CCCCCC)C1 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VEFYUDWOEMSBRZ-OAHLLOKOSA-N 1 2 346.421 3.191 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc3cc(C)c(C)cc3o2)C1 ZINC001108343870 1367401668 /nfs/dbraw/zinc/40/16/68/1367401668.db2.gz BYNBQODBRHEJAE-HXUWFJFHSA-N 1 2 342.439 3.056 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc3cc(C)c(C)cc3o2)C1 ZINC001108343870 1367401670 /nfs/dbraw/zinc/40/16/70/1367401670.db2.gz BYNBQODBRHEJAE-HXUWFJFHSA-N 1 2 342.439 3.056 20 30 EGEDLO C=CCCCC(=O)N[C@@H](CNc1nc(C)[nH+]c2c1CCCC2)C1CC1 ZINC001109961610 1367429102 /nfs/dbraw/zinc/42/91/02/1367429102.db2.gz GVWNPKAISBPUMY-SFHVURJKSA-N 1 2 342.487 3.327 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001108423868 1367447598 /nfs/dbraw/zinc/44/75/98/1367447598.db2.gz BQWCEBHSPLSTAW-UTKZUKDTSA-N 1 2 342.483 3.044 20 30 EGEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001108423868 1367447601 /nfs/dbraw/zinc/44/76/01/1367447601.db2.gz BQWCEBHSPLSTAW-UTKZUKDTSA-N 1 2 342.483 3.044 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001108423870 1367447843 /nfs/dbraw/zinc/44/78/43/1367447843.db2.gz BQWCEBHSPLSTAW-UWJYYQICSA-N 1 2 342.483 3.044 20 30 EGEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001108423870 1367447845 /nfs/dbraw/zinc/44/78/45/1367447845.db2.gz BQWCEBHSPLSTAW-UWJYYQICSA-N 1 2 342.483 3.044 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H](C)CNc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001108675495 1367525794 /nfs/dbraw/zinc/52/57/94/1367525794.db2.gz CDNIEDNUGXKQAY-AWEZNQCLSA-N 1 2 342.487 3.327 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001191753352 1367576360 /nfs/dbraw/zinc/57/63/60/1367576360.db2.gz AUEOSOBJHFIRIR-KRWDZBQOSA-N 1 2 343.471 3.168 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001191753352 1367576362 /nfs/dbraw/zinc/57/63/62/1367576362.db2.gz AUEOSOBJHFIRIR-KRWDZBQOSA-N 1 2 343.471 3.168 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2nc(C)c(C)s2)C1 ZINC001191868626 1367621749 /nfs/dbraw/zinc/62/17/49/1367621749.db2.gz XBCFFACFPGHSBR-BBRMVZONSA-N 1 2 335.517 3.395 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2nc(C)c(C)s2)C1 ZINC001191868626 1367621754 /nfs/dbraw/zinc/62/17/54/1367621754.db2.gz XBCFFACFPGHSBR-BBRMVZONSA-N 1 2 335.517 3.395 20 30 EGEDLO CCC(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110307764 1367629264 /nfs/dbraw/zinc/62/92/64/1367629264.db2.gz RBPUIPWZDOEAKO-QRQLOZEOSA-N 1 2 343.446 3.355 20 30 EGEDLO CCC(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110307764 1367629271 /nfs/dbraw/zinc/62/92/71/1367629271.db2.gz RBPUIPWZDOEAKO-QRQLOZEOSA-N 1 2 343.446 3.355 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001191911726 1367635408 /nfs/dbraw/zinc/63/54/08/1367635408.db2.gz JJRULKYYQAKMQB-YOEHRIQHSA-N 1 2 331.460 3.187 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001191911726 1367635414 /nfs/dbraw/zinc/63/54/14/1367635414.db2.gz JJRULKYYQAKMQB-YOEHRIQHSA-N 1 2 331.460 3.187 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]([N@H+](C)CC(=C)Br)C1 ZINC001191912402 1367636998 /nfs/dbraw/zinc/63/69/98/1367636998.db2.gz OKIMEVXYGYJWIK-KBPBESRZSA-N 1 2 329.282 3.030 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)CC(=C)Br)C1 ZINC001191912402 1367637004 /nfs/dbraw/zinc/63/70/04/1367637004.db2.gz OKIMEVXYGYJWIK-KBPBESRZSA-N 1 2 329.282 3.030 20 30 EGEDLO C#CCCCCC(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001108943336 1367674390 /nfs/dbraw/zinc/67/43/90/1367674390.db2.gz QHRJSQBQIJWGRK-INIZCTEOSA-N 1 2 330.476 3.043 20 30 EGEDLO CCC(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001108959468 1367686859 /nfs/dbraw/zinc/68/68/59/1367686859.db2.gz VWCUESQZVJRQAS-QYZOEREBSA-N 1 2 325.456 3.216 20 30 EGEDLO CCC(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001108959468 1367686867 /nfs/dbraw/zinc/68/68/67/1367686867.db2.gz VWCUESQZVJRQAS-QYZOEREBSA-N 1 2 325.456 3.216 20 30 EGEDLO C=C[C@H](CC(=O)N[C@H](C)CN(C)c1cc[nH+]c(C)n1)c1ccccc1 ZINC001108982270 1367700113 /nfs/dbraw/zinc/70/01/13/1367700113.db2.gz YTCFKLPLEFHMDT-NVXWUHKLSA-N 1 2 338.455 3.086 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(Cl)n1 ZINC001110459583 1367749150 /nfs/dbraw/zinc/74/91/50/1367749150.db2.gz RITDKWVZIXPDAV-ZACQAIPSSA-N 1 2 345.874 3.150 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(Cl)n1 ZINC001110459583 1367749154 /nfs/dbraw/zinc/74/91/54/1367749154.db2.gz RITDKWVZIXPDAV-ZACQAIPSSA-N 1 2 345.874 3.150 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1ccc(F)cc1F ZINC001110539110 1367818556 /nfs/dbraw/zinc/81/85/56/1367818556.db2.gz FJEOEIDHVHXDRW-LRHNDGHRSA-N 1 2 346.421 3.407 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1ccc(F)cc1F ZINC001110539110 1367818563 /nfs/dbraw/zinc/81/85/63/1367818563.db2.gz FJEOEIDHVHXDRW-LRHNDGHRSA-N 1 2 346.421 3.407 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccncc2Cl)C1 ZINC001192586802 1367827064 /nfs/dbraw/zinc/82/70/64/1367827064.db2.gz WDCJKSXLLNVUIL-OAHLLOKOSA-N 1 2 335.879 3.370 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccncc2Cl)C1 ZINC001192586802 1367827068 /nfs/dbraw/zinc/82/70/68/1367827068.db2.gz WDCJKSXLLNVUIL-OAHLLOKOSA-N 1 2 335.879 3.370 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)sc1C ZINC001110608209 1367870504 /nfs/dbraw/zinc/87/05/04/1367870504.db2.gz CTJSELCULNWHFI-INMHGKMJSA-N 1 2 333.501 3.338 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)sc1C ZINC001110608209 1367870508 /nfs/dbraw/zinc/87/05/08/1367870508.db2.gz CTJSELCULNWHFI-INMHGKMJSA-N 1 2 333.501 3.338 20 30 EGEDLO C#CCN(C(=O)C[C@H](C)CCC)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110619726 1367873460 /nfs/dbraw/zinc/87/34/60/1367873460.db2.gz XQRXRKNFGBASSW-MRXNPFEDSA-N 1 2 342.487 3.042 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H](CNc1cc[nH+]c(C)n1)C1CCCC1 ZINC001110676024 1367917708 /nfs/dbraw/zinc/91/77/08/1367917708.db2.gz NOQZMEQCHOQLPJ-RHSMWYFYSA-N 1 2 330.476 3.474 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@]2(CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001110698334 1367935820 /nfs/dbraw/zinc/93/58/20/1367935820.db2.gz GEXDJJSIOXMJFR-FQEVSTJZSA-N 1 2 342.487 3.350 20 30 EGEDLO Cc1cc(N2CC[C@@](C)(NC(=O)C#CC(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC001110753964 1367962031 /nfs/dbraw/zinc/96/20/31/1367962031.db2.gz SXQHOJPGOCQGOG-HXUWFJFHSA-N 1 2 342.487 3.043 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@]1(C)CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001110809537 1368005076 /nfs/dbraw/zinc/00/50/76/1368005076.db2.gz QAQVSTMZCSTEFM-MGPUTAFESA-N 1 2 342.487 3.350 20 30 EGEDLO C=CC1(CC(=O)N2CC[C@@H]([NH2+][C@H](C)c3nnc(C)o3)C2)CCCCC1 ZINC001186280607 1387914763 /nfs/dbraw/zinc/91/47/63/1387914763.db2.gz FSEDFWQPWJTREW-GDBMZVCRSA-N 1 2 346.475 3.156 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1F ZINC001110897151 1368071345 /nfs/dbraw/zinc/07/13/45/1368071345.db2.gz CROBYROXAMEWDN-OIISXLGYSA-N 1 2 334.410 3.399 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1F ZINC001110897151 1368071351 /nfs/dbraw/zinc/07/13/51/1368071351.db2.gz CROBYROXAMEWDN-OIISXLGYSA-N 1 2 334.410 3.399 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC001110952307 1368119475 /nfs/dbraw/zinc/11/94/75/1368119475.db2.gz JSMGICBFMIQOJA-HXUWFJFHSA-N 1 2 342.487 3.091 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C2CC2)no1 ZINC001110984636 1368133461 /nfs/dbraw/zinc/13/34/61/1368133461.db2.gz KHBAAUURJAJHTB-XUMLPFHTSA-N 1 2 343.471 3.376 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C2CC2)no1 ZINC001110984636 1368133464 /nfs/dbraw/zinc/13/34/64/1368133464.db2.gz KHBAAUURJAJHTB-XUMLPFHTSA-N 1 2 343.471 3.376 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CC[C@H](CNc2cc[nH+]c(C)n2)CC1 ZINC001111276600 1368243250 /nfs/dbraw/zinc/24/32/50/1368243250.db2.gz BSKFWICJJFYZQL-WKILWMFISA-N 1 2 330.476 3.332 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCCCCCC)C2 ZINC001111320009 1368265013 /nfs/dbraw/zinc/26/50/13/1368265013.db2.gz RRYSMTALNDVURN-OAGGEKHMSA-N 1 2 328.884 3.057 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCCCCCC)C2 ZINC001111320009 1368265018 /nfs/dbraw/zinc/26/50/18/1368265018.db2.gz RRYSMTALNDVURN-OAGGEKHMSA-N 1 2 328.884 3.057 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)[C@@H](C)c3nnc(C)o3)C2)CCCC1 ZINC001194569407 1368288744 /nfs/dbraw/zinc/28/87/44/1368288744.db2.gz ZJUZIXGQNSLYIK-HOCLYGCPSA-N 1 2 346.475 3.108 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)[C@@H](C)c3nnc(C)o3)C2)CCCC1 ZINC001194569407 1368288747 /nfs/dbraw/zinc/28/87/47/1368288747.db2.gz ZJUZIXGQNSLYIK-HOCLYGCPSA-N 1 2 346.475 3.108 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nc(C)[nH+]c(C)c1C ZINC001111398464 1368295126 /nfs/dbraw/zinc/29/51/26/1368295126.db2.gz YUPJFOOBBICDBU-MSOLQXFVSA-N 1 2 342.487 3.328 20 30 EGEDLO CC(C)CCC(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001194787506 1368324310 /nfs/dbraw/zinc/32/43/10/1368324310.db2.gz TTWXHLPNSMMAPN-UHFFFAOYSA-N 1 2 330.447 3.148 20 30 EGEDLO CC(C)CCC(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001194787506 1368324316 /nfs/dbraw/zinc/32/43/16/1368324316.db2.gz TTWXHLPNSMMAPN-UHFFFAOYSA-N 1 2 330.447 3.148 20 30 EGEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C(C)C)s1)C2 ZINC001111650448 1368410997 /nfs/dbraw/zinc/41/09/97/1368410997.db2.gz RVEKGDWIKPTEBK-KSSFIOAISA-N 1 2 348.516 3.098 20 30 EGEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C(C)C)s1)C2 ZINC001111650448 1368410999 /nfs/dbraw/zinc/41/09/99/1368410999.db2.gz RVEKGDWIKPTEBK-KSSFIOAISA-N 1 2 348.516 3.098 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@@H+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC001195645729 1368464661 /nfs/dbraw/zinc/46/46/61/1368464661.db2.gz YOKROTSIKSPEOQ-HNNXBMFYSA-N 1 2 334.410 3.364 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@H+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC001195645729 1368464664 /nfs/dbraw/zinc/46/46/64/1368464664.db2.gz YOKROTSIKSPEOQ-HNNXBMFYSA-N 1 2 334.410 3.364 20 30 EGEDLO COc1ccc(Cl)c(C[N@@H+]2CCCN(C(=O)C#CC(C)C)CC2)c1 ZINC001195775201 1368487594 /nfs/dbraw/zinc/48/75/94/1368487594.db2.gz QIEOFOIAFPLTCN-UHFFFAOYSA-N 1 2 348.874 3.042 20 30 EGEDLO COc1ccc(Cl)c(C[N@H+]2CCCN(C(=O)C#CC(C)C)CC2)c1 ZINC001195775201 1368487598 /nfs/dbraw/zinc/48/75/98/1368487598.db2.gz QIEOFOIAFPLTCN-UHFFFAOYSA-N 1 2 348.874 3.042 20 30 EGEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](C/C(Cl)=C\Cl)C2 ZINC001111845863 1368500358 /nfs/dbraw/zinc/50/03/58/1368500358.db2.gz DKZIVNJGOYQGPL-QIXNYHOWSA-N 1 2 343.298 3.470 20 30 EGEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C/C(Cl)=C\Cl)C2 ZINC001111845863 1368500360 /nfs/dbraw/zinc/50/03/60/1368500360.db2.gz DKZIVNJGOYQGPL-QIXNYHOWSA-N 1 2 343.298 3.470 20 30 EGEDLO C=CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C/C(Cl)=C\Cl)C1 ZINC001112068308 1368642630 /nfs/dbraw/zinc/64/26/30/1368642630.db2.gz RUTFFCREOHKWIF-UJQHZETGSA-N 1 2 345.192 3.251 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N(C)CCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001112155237 1368686799 /nfs/dbraw/zinc/68/67/99/1368686799.db2.gz OQBLTLYFLBSBJM-GOEBONIOSA-N 1 2 344.503 3.405 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@H+](Cc2nc(C)sc2C)CC1 ZINC001196902319 1368710991 /nfs/dbraw/zinc/71/09/91/1368710991.db2.gz XOGJTBKFZCTVOT-INIZCTEOSA-N 1 2 335.517 3.397 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@@H+](Cc2nc(C)sc2C)CC1 ZINC001196902319 1368710995 /nfs/dbraw/zinc/71/09/95/1368710995.db2.gz XOGJTBKFZCTVOT-INIZCTEOSA-N 1 2 335.517 3.397 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@H+](Cc3cc(C4CC4)no3)CC2)CCC1 ZINC001197076321 1368741337 /nfs/dbraw/zinc/74/13/37/1368741337.db2.gz FGELHAASCJJTIB-UHFFFAOYSA-N 1 2 343.471 3.333 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@@H+](Cc3cc(C4CC4)no3)CC2)CCC1 ZINC001197076321 1368741340 /nfs/dbraw/zinc/74/13/40/1368741340.db2.gz FGELHAASCJJTIB-UHFFFAOYSA-N 1 2 343.471 3.333 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001112377864 1368804496 /nfs/dbraw/zinc/80/44/96/1368804496.db2.gz GVTZVLFWVCFNCY-QGZVFWFLSA-N 1 2 342.487 3.275 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001112381831 1368809643 /nfs/dbraw/zinc/80/96/43/1368809643.db2.gz VLDWSEJLMVMYJR-GOEBONIOSA-N 1 2 330.476 3.108 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001112398511 1368823456 /nfs/dbraw/zinc/82/34/56/1368823456.db2.gz RSPRUQDHLNEDOF-GDBMZVCRSA-N 1 2 330.476 3.206 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001112428229 1368842563 /nfs/dbraw/zinc/84/25/63/1368842563.db2.gz DDGUYKCAAGILSQ-CXAGYDPISA-N 1 2 344.503 3.335 20 30 EGEDLO CC[C@@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001197586832 1368845585 /nfs/dbraw/zinc/84/55/85/1368845585.db2.gz MYIVOPUHQCJPHW-SJORKVTESA-N 1 2 327.472 3.275 20 30 EGEDLO CC[C@@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001197586832 1368845593 /nfs/dbraw/zinc/84/55/93/1368845593.db2.gz MYIVOPUHQCJPHW-SJORKVTESA-N 1 2 327.472 3.275 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@H](C)C1 ZINC001112486833 1368884287 /nfs/dbraw/zinc/88/42/87/1368884287.db2.gz DXVKGQSYRQVYDG-CXAGYDPISA-N 1 2 330.476 3.232 20 30 EGEDLO CCCCCCCCC(=O)N1CCC[N@H+](Cc2cncn2C)CC1 ZINC001197913862 1368923593 /nfs/dbraw/zinc/92/35/93/1368923593.db2.gz GTYGIDISIFTPRO-UHFFFAOYSA-N 1 2 334.508 3.205 20 30 EGEDLO CCCCCCCCC(=O)N1CCC[N@@H+](Cc2cncn2C)CC1 ZINC001197913862 1368923596 /nfs/dbraw/zinc/92/35/96/1368923596.db2.gz GTYGIDISIFTPRO-UHFFFAOYSA-N 1 2 334.508 3.205 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+]([C@@H](CC)c2ccc(F)cc2)CC1 ZINC001112671893 1368975720 /nfs/dbraw/zinc/97/57/20/1368975720.db2.gz VKXXIROQZCLEPG-APWZRJJASA-N 1 2 348.462 3.402 20 30 EGEDLO C#CCCCCC(=O)N1CC[NH+](CCOc2c(C)cccc2C)CC1 ZINC001112776183 1368996993 /nfs/dbraw/zinc/99/69/93/1368996993.db2.gz OUCDMKKDRMRORI-UHFFFAOYSA-N 1 2 342.483 3.020 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001112806983 1369018073 /nfs/dbraw/zinc/01/80/73/1369018073.db2.gz ZTNXHDJOHCAAQQ-QGZVFWFLSA-N 1 2 330.476 3.185 20 30 EGEDLO C=CCCCC(=O)NC1CC(CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001112865514 1369056815 /nfs/dbraw/zinc/05/68/15/1369056815.db2.gz LZGJPXCAFYYGRR-UHFFFAOYSA-N 1 2 342.487 3.327 20 30 EGEDLO C#CCC1(C(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)CCC1 ZINC001112950746 1369105392 /nfs/dbraw/zinc/10/53/92/1369105392.db2.gz DLHALJLDJFXIDK-KRWDZBQOSA-N 1 2 340.467 3.094 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)CC(C)(F)F)c1ccccc1OC ZINC001198885769 1369140026 /nfs/dbraw/zinc/14/00/26/1369140026.db2.gz RVGBRZQARFGMFJ-CYBMUJFWSA-N 1 2 346.805 3.240 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001113194364 1369256817 /nfs/dbraw/zinc/25/68/17/1369256817.db2.gz QPDRFFKELBJDKE-UONOGXRCSA-N 1 2 330.476 3.325 20 30 EGEDLO CC#CCCCC(=O)N1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC001113232085 1369279762 /nfs/dbraw/zinc/27/97/62/1369279762.db2.gz CUEKYBZVGJIHIE-LJQANCHMSA-N 1 2 328.431 3.151 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC001113246137 1369289189 /nfs/dbraw/zinc/28/91/89/1369289189.db2.gz HYUOHMGTVDCJPF-HNNXBMFYSA-N 1 2 336.426 3.254 20 30 EGEDLO CC#CCCCC(=O)N[C@H](C)[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001113262765 1369298807 /nfs/dbraw/zinc/29/88/07/1369298807.db2.gz XYJGBZCFJZJJSZ-CABCVRRESA-N 1 2 342.487 3.163 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@H](C)[C@@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC001113269343 1369305361 /nfs/dbraw/zinc/30/53/61/1369305361.db2.gz OGMPESVSZLSQIH-HUUCEWRRSA-N 1 2 348.450 3.263 20 30 EGEDLO C=CCCCC(=O)N1CC[NH+](Cc2cccc(OCCC)c2)CC1 ZINC001113282294 1369316077 /nfs/dbraw/zinc/31/60/77/1369316077.db2.gz VKDMZMGYEMQNFI-UHFFFAOYSA-N 1 2 330.472 3.476 20 30 EGEDLO C=CCCCC(=O)N[C@@H](C)[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001113296357 1369328845 /nfs/dbraw/zinc/32/88/45/1369328845.db2.gz KWEUOEXWBDSYRG-KBPBESRZSA-N 1 2 330.476 3.325 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](CCc3ccc(F)c(F)c3)CC2)CCC1 ZINC001113312592 1369339519 /nfs/dbraw/zinc/33/95/19/1369339519.db2.gz DDBRVBZFECCJQZ-UHFFFAOYSA-N 1 2 348.437 3.398 20 30 EGEDLO CCC[C@H](CC)C(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001113470040 1369454280 /nfs/dbraw/zinc/45/42/80/1369454280.db2.gz GBPXBILJBQLMEB-SFHVURJKSA-N 1 2 343.471 3.059 20 30 EGEDLO C[C@@H]1CN(c2ccc(Nc3ccc(C#N)cc3F)c[nH+]2)C[C@H](C)O1 ZINC001201555742 1369574293 /nfs/dbraw/zinc/57/42/93/1369574293.db2.gz LRWSYSUXKXJLDB-BETUJISGSA-N 1 2 326.375 3.450 20 30 EGEDLO C=CCCOCC(=O)N1CC[NH+]([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC001113708943 1369579547 /nfs/dbraw/zinc/57/95/47/1369579547.db2.gz FJNAXLHJTDUDAM-SFHVURJKSA-N 1 2 348.874 3.064 20 30 EGEDLO C=CCCOCC(=O)N1CC[NH+](C/C=C\c2ccc(Cl)cc2)CC1 ZINC001113709681 1369580076 /nfs/dbraw/zinc/58/00/76/1369580076.db2.gz YHAUEGCJUWKNQL-PLNGDYQASA-N 1 2 348.874 3.090 20 30 EGEDLO C[N@@H+]1CCc2c(C#N)c(NC(=O)NCC3CCCCC3)sc2C1 ZINC001186847876 1388013729 /nfs/dbraw/zinc/01/37/29/1388013729.db2.gz QKYVQMFEWWRGIY-UHFFFAOYSA-N 1 2 332.473 3.309 20 30 EGEDLO C[N@H+]1CCc2c(C#N)c(NC(=O)NCC3CCCCC3)sc2C1 ZINC001186847876 1388013735 /nfs/dbraw/zinc/01/37/35/1388013735.db2.gz QKYVQMFEWWRGIY-UHFFFAOYSA-N 1 2 332.473 3.309 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(F)(F)C(F)F)C12CCC2 ZINC001202985071 1369946251 /nfs/dbraw/zinc/94/62/51/1369946251.db2.gz ARBIVGKKIPTLMC-NEPJUHHUSA-N 1 2 336.373 3.260 20 30 EGEDLO C=CCC1(C(=O)NC2[C@H]3C[N@@H+](C/C(Cl)=C\Cl)C[C@@H]23)CCC1 ZINC001114785422 1370079396 /nfs/dbraw/zinc/07/93/96/1370079396.db2.gz OCUZQACITFPQOE-KZKWKOHOSA-N 1 2 329.271 3.098 20 30 EGEDLO C=CCC1(C(=O)NC2[C@H]3C[N@H+](C/C(Cl)=C\Cl)C[C@@H]23)CCC1 ZINC001114785422 1370079401 /nfs/dbraw/zinc/07/94/01/1370079401.db2.gz OCUZQACITFPQOE-KZKWKOHOSA-N 1 2 329.271 3.098 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(C#N)cc2)C2(CC2)C1 ZINC001203900113 1370305182 /nfs/dbraw/zinc/30/51/82/1370305182.db2.gz SDELPRRJSOHPDA-UHFFFAOYSA-N 1 2 327.428 3.144 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(C#N)cc2)C2(CC2)C1 ZINC001203900113 1370305185 /nfs/dbraw/zinc/30/51/85/1370305185.db2.gz SDELPRRJSOHPDA-UHFFFAOYSA-N 1 2 327.428 3.144 20 30 EGEDLO C=CCC1(C(=O)N2CCC(N(C)c3cc[nH+]c(C)n3)CC2)CCCC1 ZINC001115143275 1370307076 /nfs/dbraw/zinc/30/70/76/1370307076.db2.gz ZFBQXVXAYXXDIJ-UHFFFAOYSA-N 1 2 342.487 3.349 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC(N(C)c2nc(C)[nH+]c(C)c2C)CC1 ZINC001115155339 1370316858 /nfs/dbraw/zinc/31/68/58/1370316858.db2.gz DERFKVMWGQGXHA-UHFFFAOYSA-N 1 2 344.503 3.431 20 30 EGEDLO COc1cc(C[N@@H+]2CCC[C@@H](C#N)CC2)cc(Br)c1O ZINC001204105759 1370379050 /nfs/dbraw/zinc/37/90/50/1370379050.db2.gz YIQMRAJKXWOXLE-LLVKDONJSA-N 1 2 339.233 3.289 20 30 EGEDLO COc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)cc(Br)c1O ZINC001204105759 1370379060 /nfs/dbraw/zinc/37/90/60/1370379060.db2.gz YIQMRAJKXWOXLE-LLVKDONJSA-N 1 2 339.233 3.289 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)CCC)[C@@H]2C1 ZINC001187199428 1388069350 /nfs/dbraw/zinc/06/93/50/1388069350.db2.gz MHDVRTLUUOXWIQ-VHDGCEQUSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)CCC)[C@@H]2C1 ZINC001187199428 1388069357 /nfs/dbraw/zinc/06/93/57/1388069357.db2.gz MHDVRTLUUOXWIQ-VHDGCEQUSA-N 1 2 343.309 3.254 20 30 EGEDLO C=CCOc1ccc(C[NH+]2CC(N3Cc4ccccc4NC3=O)C2)cc1 ZINC001204302751 1370437335 /nfs/dbraw/zinc/43/73/35/1370437335.db2.gz RHNASAAPKOSXOR-UHFFFAOYSA-N 1 2 349.434 3.483 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N(C)[C@H](CNc1cc[nH+]c(C)n1)C1CC1 ZINC001115542743 1370539515 /nfs/dbraw/zinc/53/95/15/1370539515.db2.gz LTXMZSPHNHSNDJ-CQSZACIVSA-N 1 2 336.867 3.213 20 30 EGEDLO CCOC[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)Cc2cnn(CC)c21 ZINC001205467688 1370764714 /nfs/dbraw/zinc/76/47/14/1370764714.db2.gz WJNCUTLNJMUXFW-KRWDZBQOSA-N 1 2 342.418 3.050 20 30 EGEDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)Cc2cnn(CC)c21 ZINC001205467688 1370764716 /nfs/dbraw/zinc/76/47/16/1370764716.db2.gz WJNCUTLNJMUXFW-KRWDZBQOSA-N 1 2 342.418 3.050 20 30 EGEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc(F)c(C#N)c1F ZINC001206533074 1371084922 /nfs/dbraw/zinc/08/49/22/1371084922.db2.gz RJMIQCYMSJQGER-UHFFFAOYSA-N 1 2 344.361 3.344 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CCC[N@H+](Cc3ncc4ccccn43)C2)cc1 ZINC001207055993 1371280397 /nfs/dbraw/zinc/28/03/97/1371280397.db2.gz MQXNXWBYNMCFRN-LJQANCHMSA-N 1 2 332.407 3.249 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3ncc4ccccn43)C2)cc1 ZINC001207055993 1371280398 /nfs/dbraw/zinc/28/03/98/1371280398.db2.gz MQXNXWBYNMCFRN-LJQANCHMSA-N 1 2 332.407 3.249 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc(C(C)C)no2)C[C@H]1C ZINC001207158264 1371315904 /nfs/dbraw/zinc/31/59/04/1371315904.db2.gz NOSDAFHCKAHDCK-QLFBSQMISA-N 1 2 348.491 3.293 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc(C(C)C)no2)C[C@H]1C ZINC001207158264 1371315906 /nfs/dbraw/zinc/31/59/06/1371315906.db2.gz NOSDAFHCKAHDCK-QLFBSQMISA-N 1 2 348.491 3.293 20 30 EGEDLO C=CCN(CC[N@@H+]1CCC(=O)[C@H]2CCCC[C@H]21)C(=O)OC(C)(C)C ZINC001207199684 1371327281 /nfs/dbraw/zinc/32/72/81/1371327281.db2.gz PYGAAXONXRLJLR-JKSUJKDBSA-N 1 2 336.476 3.243 20 30 EGEDLO C=CCN(CC[N@H+]1CCC(=O)[C@H]2CCCC[C@H]21)C(=O)OC(C)(C)C ZINC001207199684 1371327285 /nfs/dbraw/zinc/32/72/85/1371327285.db2.gz PYGAAXONXRLJLR-JKSUJKDBSA-N 1 2 336.476 3.243 20 30 EGEDLO C[NH+](C)Cc1cc(C(=O)Nc2scc(C(C)(C)C)c2C#N)no1 ZINC001120277378 1371520640 /nfs/dbraw/zinc/52/06/40/1371520640.db2.gz HDVKOBRFLLEERC-UHFFFAOYSA-N 1 2 332.429 3.219 20 30 EGEDLO CCCCCCC/C=C/C[NH+]1CCN(c2nccnc2C#N)CC1 ZINC001208118483 1371602419 /nfs/dbraw/zinc/60/24/19/1371602419.db2.gz JBXWHHRMVUVNCK-CMDGGOBGSA-N 1 2 327.476 3.387 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2nc(C3CC3)no2)C1 ZINC001208244524 1371677427 /nfs/dbraw/zinc/67/74/27/1371677427.db2.gz AXCBEMVDAKOEOB-DZGCQCFKSA-N 1 2 346.475 3.191 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001208388909 1371747559 /nfs/dbraw/zinc/74/75/59/1371747559.db2.gz SDLWCEKZDRZYKI-YRGRVCCFSA-N 1 2 341.908 3.335 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001208388909 1371747566 /nfs/dbraw/zinc/74/75/66/1371747566.db2.gz SDLWCEKZDRZYKI-YRGRVCCFSA-N 1 2 341.908 3.335 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001208393020 1371750882 /nfs/dbraw/zinc/75/08/82/1371750882.db2.gz IPEZFZRUTLMZID-JKIFEVAISA-N 1 2 331.460 3.091 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001208393020 1371750886 /nfs/dbraw/zinc/75/08/86/1371750886.db2.gz IPEZFZRUTLMZID-JKIFEVAISA-N 1 2 331.460 3.091 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2noc3c2CCCC3)C[C@H]1C ZINC001208393595 1371751777 /nfs/dbraw/zinc/75/17/77/1371751777.db2.gz UBAHIQYYHDMLKL-BFYDXBDKSA-N 1 2 345.487 3.092 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2noc3c2CCCC3)C[C@H]1C ZINC001208393595 1371751800 /nfs/dbraw/zinc/75/18/00/1371751800.db2.gz UBAHIQYYHDMLKL-BFYDXBDKSA-N 1 2 345.487 3.092 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nnc(CC(C)C)o2)C[C@H]1C ZINC001208458702 1371774655 /nfs/dbraw/zinc/77/46/55/1371774655.db2.gz UHGMJSHXNANVNV-BZUAXINKSA-N 1 2 348.491 3.122 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nnc(CC(C)C)o2)C[C@H]1C ZINC001208458702 1371774659 /nfs/dbraw/zinc/77/46/59/1371774659.db2.gz UHGMJSHXNANVNV-BZUAXINKSA-N 1 2 348.491 3.122 20 30 EGEDLO N#Cc1cccc(CCCN2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC001208852884 1371918230 /nfs/dbraw/zinc/91/82/30/1371918230.db2.gz VQNJMGPKINRIBK-UHFFFAOYSA-N 1 2 349.478 3.187 20 30 EGEDLO CC#CCCCC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nc(C(C)C)no2)C1 ZINC001209110510 1372000341 /nfs/dbraw/zinc/00/03/41/1372000341.db2.gz ATGZISUUKOCPPU-HOTGVXAUSA-N 1 2 346.475 3.028 20 30 EGEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)CCC1CCCCC1 ZINC001121620421 1372028006 /nfs/dbraw/zinc/02/80/06/1372028006.db2.gz NVVUWBIIDFEKAW-UHFFFAOYSA-N 1 2 342.491 3.195 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@H]([NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC001209184121 1372028918 /nfs/dbraw/zinc/02/89/18/1372028918.db2.gz QUFUCVKTTOUNAZ-GJZGRUSLSA-N 1 2 348.491 3.050 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2nc(C3CCC3)no2)C1 ZINC001209183565 1372028977 /nfs/dbraw/zinc/02/89/77/1372028977.db2.gz OPYUKDSNQHBKCT-GOEBONIOSA-N 1 2 346.475 3.020 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2nc(CCCC)no2)C1 ZINC001209346983 1372073468 /nfs/dbraw/zinc/07/34/68/1372073468.db2.gz YITSVQBAIAOFFZ-HZPDHXFCSA-N 1 2 348.491 3.410 20 30 EGEDLO C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCC[N@@H+]2C)n1CC ZINC001121797154 1372084212 /nfs/dbraw/zinc/08/42/12/1372084212.db2.gz KDAVKTKKTOSDTO-KRWDZBQOSA-N 1 2 343.475 3.283 20 30 EGEDLO C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCC[N@H+]2C)n1CC ZINC001121797154 1372084217 /nfs/dbraw/zinc/08/42/17/1372084217.db2.gz KDAVKTKKTOSDTO-KRWDZBQOSA-N 1 2 343.475 3.283 20 30 EGEDLO C=CCCC1(C(=O)N2CCC[C@H]([NH2+]Cc3nnc(C(C)C)o3)C2)CC1 ZINC001209465935 1372112597 /nfs/dbraw/zinc/11/25/97/1372112597.db2.gz XBERNUXZNBOYPD-HNNXBMFYSA-N 1 2 346.475 3.020 20 30 EGEDLO N#Cc1ccc(Nc2cc[nH+]c3ccc(Br)cc23)cn1 ZINC001209545808 1372132769 /nfs/dbraw/zinc/13/27/69/1372132769.db2.gz VHHXDTNFAZECJL-UHFFFAOYSA-N 1 2 325.169 3.429 20 30 EGEDLO N#C[C@@H]1C[NH2+]CCN1Cc1c[nH]c2cccc(OCc3ccccc3)c12 ZINC001210122939 1372275180 /nfs/dbraw/zinc/27/51/80/1372275180.db2.gz VWFHAXHHFGTEMN-GOSISDBHSA-N 1 2 346.434 3.044 20 30 EGEDLO CC1(C)CC(=O)C=C(Nc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001210151582 1372282875 /nfs/dbraw/zinc/28/28/75/1372282875.db2.gz MAJTZDOOIPZWKV-UHFFFAOYSA-N 1 2 344.455 3.083 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001210547596 1372376298 /nfs/dbraw/zinc/37/62/98/1372376298.db2.gz PMUOPHKJRJINGB-SJLPKXTDSA-N 1 2 334.508 3.107 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001210547596 1372376300 /nfs/dbraw/zinc/37/63/00/1372376300.db2.gz PMUOPHKJRJINGB-SJLPKXTDSA-N 1 2 334.508 3.107 20 30 EGEDLO Cn1c[nH+]cc1C1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC001123386009 1372450210 /nfs/dbraw/zinc/45/02/10/1372450210.db2.gz XXMLTASYAZWKNV-UHFFFAOYSA-N 1 2 343.818 3.357 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@@H]([NH2+]Cc3csnn3)C2)CCCCC1 ZINC001211212771 1372503785 /nfs/dbraw/zinc/50/37/85/1372503785.db2.gz GSWWDMIXUUPDTB-OAHLLOKOSA-N 1 2 348.516 3.145 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@H]1C ZINC001123626031 1372529491 /nfs/dbraw/zinc/52/94/91/1372529491.db2.gz ASAFGLQCENFZGV-RDJZCZTQSA-N 1 2 344.503 3.478 20 30 EGEDLO CCCCN(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC1CC1 ZINC001123633484 1372532270 /nfs/dbraw/zinc/53/22/70/1372532270.db2.gz RMELBUDFTHLCEQ-UHFFFAOYSA-N 1 2 344.507 3.017 20 30 EGEDLO Cc1cc(NC[C@@H]2CC[C@@H](NC(=O)C#CC(C)C)C2)nc(C(C)C)[nH+]1 ZINC001123784852 1372587863 /nfs/dbraw/zinc/58/78/63/1372587863.db2.gz MZHSZXFOPVUMCF-IAGOWNOFSA-N 1 2 342.487 3.265 20 30 EGEDLO C=CCC1(C(=O)N2C[C@H](Nc3cc[nH+]c(C)n3)C(C)(C)C2)CCC1 ZINC001124011851 1372656971 /nfs/dbraw/zinc/65/69/71/1372656971.db2.gz QLMXUJUSYQLZLJ-HNNXBMFYSA-N 1 2 328.460 3.180 20 30 EGEDLO Nc1ccccc1C(NO)=[NH+]c1cccc(OCC(F)(F)F)c1 ZINC001212170805 1372666819 /nfs/dbraw/zinc/66/68/19/1372666819.db2.gz IZVTXFZDTPFNRP-UHFFFAOYSA-N 1 2 325.290 3.267 20 30 EGEDLO C=CCOCC(=O)N[C@@H](CNc1cc(C)[nH+]c(C(C)C)n1)C(C)(C)C ZINC001125828207 1372865900 /nfs/dbraw/zinc/86/59/00/1372865900.db2.gz OLEMYPGMQKKACB-HNNXBMFYSA-N 1 2 348.491 3.054 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3csnn3)C2)CCCCC1 ZINC001188053568 1388230487 /nfs/dbraw/zinc/23/04/87/1388230487.db2.gz USXOHQNRRVDNQK-HUUCEWRRSA-N 1 2 348.516 3.316 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@H](CNc2cc[nH+]c(C)n2)C(C)(C)C)cc1 ZINC001126074723 1372927441 /nfs/dbraw/zinc/92/74/41/1372927441.db2.gz SLAYQHVVVFGWHR-QGZVFWFLSA-N 1 2 336.439 3.023 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H](C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001126771972 1373018824 /nfs/dbraw/zinc/01/88/24/1373018824.db2.gz DZPCARIXVKMRNX-LIRRHRJNSA-N 1 2 330.476 3.108 20 30 EGEDLO Cc1cc(NC2CC(N(C)C(=O)C#CC(C)(C)C)C2)nc(C2CC2)[nH+]1 ZINC001126935497 1373053710 /nfs/dbraw/zinc/05/37/10/1373053710.db2.gz GGMLIUJRZNFVDY-UHFFFAOYSA-N 1 2 340.471 3.113 20 30 EGEDLO C=CCCCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC001215427978 1373206281 /nfs/dbraw/zinc/20/62/81/1373206281.db2.gz SMAXUUYYSCEHPN-QLFBSQMISA-N 1 2 348.491 3.221 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)CCCF)c2C1 ZINC001128443077 1373268523 /nfs/dbraw/zinc/26/85/23/1373268523.db2.gz LFLKVESMTWAVJL-UHFFFAOYSA-N 1 2 338.471 3.035 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)CCCF)c2C1 ZINC001128443077 1373268527 /nfs/dbraw/zinc/26/85/27/1373268527.db2.gz LFLKVESMTWAVJL-UHFFFAOYSA-N 1 2 338.471 3.035 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)C(C)(C)C=C)c2C1 ZINC001128452787 1373270122 /nfs/dbraw/zinc/27/01/22/1373270122.db2.gz BAOMQAYYSRUQEB-UHFFFAOYSA-N 1 2 344.503 3.274 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)C(C)(C)C=C)c2C1 ZINC001128452787 1373270126 /nfs/dbraw/zinc/27/01/26/1373270126.db2.gz BAOMQAYYSRUQEB-UHFFFAOYSA-N 1 2 344.503 3.274 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3C[C@H]3CC)c2C1 ZINC001128504554 1373279172 /nfs/dbraw/zinc/27/91/72/1373279172.db2.gz XADBCQIBYFCHBL-SJLPKXTDSA-N 1 2 346.519 3.331 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3C[C@H]3CC)c2C1 ZINC001128504554 1373279177 /nfs/dbraw/zinc/27/91/77/1373279177.db2.gz XADBCQIBYFCHBL-SJLPKXTDSA-N 1 2 346.519 3.331 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H](CC)CCCCC)c2C1 ZINC001128587421 1373294788 /nfs/dbraw/zinc/29/47/88/1373294788.db2.gz ZWSVMEQOVYYZPR-QGZVFWFLSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H](CC)CCCCC)c2C1 ZINC001128587421 1373294790 /nfs/dbraw/zinc/29/47/90/1373294790.db2.gz ZWSVMEQOVYYZPR-QGZVFWFLSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCC1(C(=O)NCc2cnn3c2C[N@H+](CCC)CC3)CCCCC1 ZINC001128587349 1373295034 /nfs/dbraw/zinc/29/50/34/1373295034.db2.gz XJXQTVZABOFUSH-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO C=CCC1(C(=O)NCc2cnn3c2C[N@@H+](CCC)CC3)CCCCC1 ZINC001128587349 1373295036 /nfs/dbraw/zinc/29/50/36/1373295036.db2.gz XJXQTVZABOFUSH-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CCC(C)(C)C)C[C@H](C)O2 ZINC001131688830 1373763996 /nfs/dbraw/zinc/76/39/96/1373763996.db2.gz SAKWEOMZHYGFIJ-MAUKXSAKSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCC(C)(C)C)C[C@H](C)O2 ZINC001131688830 1373763999 /nfs/dbraw/zinc/76/39/99/1373763999.db2.gz SAKWEOMZHYGFIJ-MAUKXSAKSA-N 1 2 342.911 3.257 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2nc3ccc(F)cc3o2)C1 ZINC001131896716 1375033927 /nfs/dbraw/zinc/03/39/27/1375033927.db2.gz VESBJPWJPGRPSB-DZGCQCFKSA-N 1 2 345.418 3.402 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2nc3ccc(F)cc3o2)C1 ZINC001131896716 1375033931 /nfs/dbraw/zinc/03/39/31/1375033931.db2.gz VESBJPWJPGRPSB-DZGCQCFKSA-N 1 2 345.418 3.402 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC001131900135 1375035741 /nfs/dbraw/zinc/03/57/41/1375035741.db2.gz UDCDDXWTSOSYHY-CABCVRRESA-N 1 2 343.427 3.370 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc(-c3ccco3)on2)C1 ZINC001131900135 1375035748 /nfs/dbraw/zinc/03/57/48/1375035748.db2.gz UDCDDXWTSOSYHY-CABCVRRESA-N 1 2 343.427 3.370 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001131959410 1375070962 /nfs/dbraw/zinc/07/09/62/1375070962.db2.gz FEYMPMUDRWDNJR-BBRMVZONSA-N 1 2 347.409 3.430 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001131959410 1375070968 /nfs/dbraw/zinc/07/09/68/1375070968.db2.gz FEYMPMUDRWDNJR-BBRMVZONSA-N 1 2 347.409 3.430 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001131959443 1375071140 /nfs/dbraw/zinc/07/11/40/1375071140.db2.gz FORUTYREIYFNFC-MAUKXSAKSA-N 1 2 346.421 3.410 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001131959443 1375071146 /nfs/dbraw/zinc/07/11/46/1375071146.db2.gz FORUTYREIYFNFC-MAUKXSAKSA-N 1 2 346.421 3.410 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001131972045 1375077296 /nfs/dbraw/zinc/07/72/96/1375077296.db2.gz PBRBCLFQGKWUNV-WBVHZDCISA-N 1 2 347.890 3.398 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001131972045 1375077300 /nfs/dbraw/zinc/07/73/00/1375077300.db2.gz PBRBCLFQGKWUNV-WBVHZDCISA-N 1 2 347.890 3.398 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)cs2)C1 ZINC001131971336 1375077617 /nfs/dbraw/zinc/07/76/17/1375077617.db2.gz GQGLLLVRFDXQFQ-HZPDHXFCSA-N 1 2 333.501 3.114 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2nc(C)cs2)C1 ZINC001131971336 1375077620 /nfs/dbraw/zinc/07/76/20/1375077620.db2.gz GQGLLLVRFDXQFQ-HZPDHXFCSA-N 1 2 333.501 3.114 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ncoc2C(C)C)C1 ZINC001131973173 1375078859 /nfs/dbraw/zinc/07/88/59/1375078859.db2.gz YTNRWSXJGSJDAL-DLBZAZTESA-N 1 2 345.487 3.461 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001131973173 1375078864 /nfs/dbraw/zinc/07/88/64/1375078864.db2.gz YTNRWSXJGSJDAL-DLBZAZTESA-N 1 2 345.487 3.461 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)sc2C)C1 ZINC001132002769 1375093696 /nfs/dbraw/zinc/09/36/96/1375093696.db2.gz NWFNWDOXBAKHOP-CZUORRHYSA-N 1 2 333.501 3.033 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2nc(C)sc2C)C1 ZINC001132002769 1375093700 /nfs/dbraw/zinc/09/37/00/1375093700.db2.gz NWFNWDOXBAKHOP-CZUORRHYSA-N 1 2 333.501 3.033 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2ccc3c(c2)CCC3=O)C1 ZINC001225362356 1375106497 /nfs/dbraw/zinc/10/64/97/1375106497.db2.gz IFZYCCCGVMNUKS-IBGZPJMESA-N 1 2 332.403 3.340 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2ccc3c(c2)CCC3=O)C1 ZINC001225362356 1375106502 /nfs/dbraw/zinc/10/65/02/1375106502.db2.gz IFZYCCCGVMNUKS-IBGZPJMESA-N 1 2 332.403 3.340 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1ccc(F)c(F)c1 ZINC001132034721 1375109998 /nfs/dbraw/zinc/10/99/98/1375109998.db2.gz UQQVFXFDZBXQDZ-GDBMZVCRSA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1ccc(F)c(F)c1 ZINC001132034721 1375110003 /nfs/dbraw/zinc/11/00/03/1375110003.db2.gz UQQVFXFDZBXQDZ-GDBMZVCRSA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1cc(F)ccc1Cl ZINC001132047013 1375115713 /nfs/dbraw/zinc/11/57/13/1375115713.db2.gz SMQZWLBFWAXHRB-SUMWQHHRSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1cc(F)ccc1Cl ZINC001132047013 1375115715 /nfs/dbraw/zinc/11/57/15/1375115715.db2.gz SMQZWLBFWAXHRB-SUMWQHHRSA-N 1 2 348.849 3.362 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2nocc2C)C1 ZINC001132057298 1375123384 /nfs/dbraw/zinc/12/33/84/1375123384.db2.gz MOYCNRGMAKSAII-NVXWUHKLSA-N 1 2 331.460 3.221 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2nocc2C)C1 ZINC001132057298 1375123385 /nfs/dbraw/zinc/12/33/85/1375123385.db2.gz MOYCNRGMAKSAII-NVXWUHKLSA-N 1 2 331.460 3.221 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001132064015 1375127091 /nfs/dbraw/zinc/12/70/91/1375127091.db2.gz CNSZEBVQJWHMDC-HOTGVXAUSA-N 1 2 345.487 3.379 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2noc3c2CCCC3)C1 ZINC001132064015 1375127100 /nfs/dbraw/zinc/12/71/00/1375127100.db2.gz CNSZEBVQJWHMDC-HOTGVXAUSA-N 1 2 345.487 3.379 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)on2)C1 ZINC001132077156 1375134786 /nfs/dbraw/zinc/13/47/86/1375134786.db2.gz GJQBSDAMSIQBAH-BXUZGUMPSA-N 1 2 339.867 3.231 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(C)on2)C1 ZINC001132077156 1375134787 /nfs/dbraw/zinc/13/47/87/1375134787.db2.gz GJQBSDAMSIQBAH-BXUZGUMPSA-N 1 2 339.867 3.231 20 30 EGEDLO C#CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3nc(C)cs3)C2)CCC1 ZINC001132101113 1375148804 /nfs/dbraw/zinc/14/88/04/1375148804.db2.gz HPKRKABZEOBETD-HZPDHXFCSA-N 1 2 345.512 3.114 20 30 EGEDLO C#CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3nc(C)cs3)C2)CCC1 ZINC001132101113 1375148809 /nfs/dbraw/zinc/14/88/09/1375148809.db2.gz HPKRKABZEOBETD-HZPDHXFCSA-N 1 2 345.512 3.114 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)c2ccc(-c3ccc(C#N)c(F)c3)cc2)CC1 ZINC001188701596 1388363580 /nfs/dbraw/zinc/36/35/80/1388363580.db2.gz NOQKAJWFCNUSSI-UHFFFAOYSA-N 1 2 349.409 3.308 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001132218268 1375216247 /nfs/dbraw/zinc/21/62/47/1375216247.db2.gz OHMZESGKBVOKBW-YOEHRIQHSA-N 1 2 343.446 3.379 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001132218268 1375216252 /nfs/dbraw/zinc/21/62/52/1375216252.db2.gz OHMZESGKBVOKBW-YOEHRIQHSA-N 1 2 343.446 3.379 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001132257550 1375251872 /nfs/dbraw/zinc/25/18/72/1375251872.db2.gz XOBYWTTURHKHJP-SJORKVTESA-N 1 2 332.492 3.289 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001132257550 1375251874 /nfs/dbraw/zinc/25/18/74/1375251874.db2.gz XOBYWTTURHKHJP-SJORKVTESA-N 1 2 332.492 3.289 20 30 EGEDLO C=CCCC(=O)NC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC001226527738 1375276265 /nfs/dbraw/zinc/27/62/65/1375276265.db2.gz MVQRPKUBVUOXNM-UHFFFAOYSA-N 1 2 330.859 3.238 20 30 EGEDLO CC(C)(C)/C=C/C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001226633522 1375297175 /nfs/dbraw/zinc/29/71/75/1375297175.db2.gz UCSIIFNBJHXONP-RMKNXTFCSA-N 1 2 343.446 3.380 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(F)cn2)C1 ZINC001132330515 1375309551 /nfs/dbraw/zinc/30/95/51/1375309551.db2.gz IRPNNYVIMNKPDA-PBHICJAKSA-N 1 2 333.451 3.292 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(F)cn2)C1 ZINC001132330515 1375309562 /nfs/dbraw/zinc/30/95/62/1375309562.db2.gz IRPNNYVIMNKPDA-PBHICJAKSA-N 1 2 333.451 3.292 20 30 EGEDLO C/C=C(/C)C(=O)NC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC001226818743 1375342110 /nfs/dbraw/zinc/34/21/10/1375342110.db2.gz NYCJXLDMTHDCKL-CQPUUCJISA-N 1 2 330.859 3.238 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(=C)Cl)C2)CCOCC1 ZINC001132453143 1375395756 /nfs/dbraw/zinc/39/57/56/1375395756.db2.gz JXMWMRWRORTOAB-JKSUJKDBSA-N 1 2 340.895 3.081 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(=C)Cl)C2)CCOCC1 ZINC001132453143 1375395761 /nfs/dbraw/zinc/39/57/61/1375395761.db2.gz JXMWMRWRORTOAB-JKSUJKDBSA-N 1 2 340.895 3.081 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC1CC[NH+](Cc2ncc(C(C)C)o2)CC1 ZINC001228597752 1375610509 /nfs/dbraw/zinc/61/05/09/1375610509.db2.gz WHILTRVTQIAVCC-UHFFFAOYSA-N 1 2 333.476 3.481 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC001228747578 1375660750 /nfs/dbraw/zinc/66/07/50/1375660750.db2.gz CRBPXODSJGFHGP-KGLIPLIRSA-N 1 2 331.460 3.091 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccn(C(C)C)n2)CC1 ZINC001228749655 1375661503 /nfs/dbraw/zinc/66/15/03/1375661503.db2.gz UQSAOMVFDRWREQ-CVEARBPZSA-N 1 2 332.492 3.003 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)C2(CC)CCC2)CC1 ZINC001228759856 1375668225 /nfs/dbraw/zinc/66/82/25/1375668225.db2.gz FEQKDYFYFOMYQX-UHFFFAOYSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001228786487 1375674681 /nfs/dbraw/zinc/67/46/81/1375674681.db2.gz KKNBXYZUMBJMDP-OAHLLOKOSA-N 1 2 343.446 3.380 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001228786485 1375675275 /nfs/dbraw/zinc/67/52/75/1375675275.db2.gz KKNBXYZUMBJMDP-HNNXBMFYSA-N 1 2 343.446 3.380 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)C2(CCCC)CC2)CC1 ZINC001229016484 1375738327 /nfs/dbraw/zinc/73/83/27/1375738327.db2.gz JCBDVAFYCUEENK-UHFFFAOYSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC1CC[NH+](Cc2ccn(C(C)C)n2)CC1 ZINC001229017454 1375740583 /nfs/dbraw/zinc/74/05/83/1375740583.db2.gz SQOPMKIXFJSTEV-IBGZPJMESA-N 1 2 332.492 3.147 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001188886205 1388401021 /nfs/dbraw/zinc/40/10/21/1388401021.db2.gz URMYCPYAKOOZBT-NJCOGDKZSA-N 1 2 331.287 3.440 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001188886205 1388401025 /nfs/dbraw/zinc/40/10/25/1388401025.db2.gz URMYCPYAKOOZBT-NJCOGDKZSA-N 1 2 331.287 3.440 20 30 EGEDLO C=CC1(CC(=O)NC2CC[NH+](Cc3nccn3C)CC2)CCCCC1 ZINC001229592396 1375861800 /nfs/dbraw/zinc/86/18/00/1375861800.db2.gz CFWJEZXZHGSHBR-UHFFFAOYSA-N 1 2 344.503 3.027 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001188908790 1388406403 /nfs/dbraw/zinc/40/64/03/1388406403.db2.gz IXRUUGDAZFKMMB-HYVNUMGLSA-N 1 2 343.471 3.187 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001188908790 1388406405 /nfs/dbraw/zinc/40/64/05/1388406405.db2.gz IXRUUGDAZFKMMB-HYVNUMGLSA-N 1 2 343.471 3.187 20 30 EGEDLO C#CCC1(C(=O)NC2CC[NH+](Cc3nccs3)CC2)CCCCC1 ZINC001230404191 1376021761 /nfs/dbraw/zinc/02/17/61/1376021761.db2.gz FAIQAIMKQAYGEM-UHFFFAOYSA-N 1 2 345.512 3.198 20 30 EGEDLO CCC#C[C@@H](C)Oc1ccc2c(c1)[C@H]1OCC[N@@H+](CCC)[C@@H]1CO2 ZINC001230427395 1376027721 /nfs/dbraw/zinc/02/77/21/1376027721.db2.gz OJAUMPWRKHBMTO-XFQXTVEOSA-N 1 2 329.440 3.412 20 30 EGEDLO CCC#C[C@@H](C)Oc1ccc2c(c1)[C@H]1OCC[N@H+](CCC)[C@@H]1CO2 ZINC001230427395 1376027730 /nfs/dbraw/zinc/02/77/30/1376027730.db2.gz OJAUMPWRKHBMTO-XFQXTVEOSA-N 1 2 329.440 3.412 20 30 EGEDLO C=CCC1(C(=O)NC2CC[NH+]([C@@H](C)c3nnc(C)o3)CC2)CCCC1 ZINC001230475311 1376033665 /nfs/dbraw/zinc/03/36/65/1376033665.db2.gz GBMBLSPNJLOODE-AWEZNQCLSA-N 1 2 346.475 3.156 20 30 EGEDLO CCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC001230773096 1376147922 /nfs/dbraw/zinc/14/79/22/1376147922.db2.gz PKBASNQLIPTCJT-SFHVURJKSA-N 1 2 343.471 3.180 20 30 EGEDLO CCCCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(C#N)ccc1OC ZINC001230773096 1376147924 /nfs/dbraw/zinc/14/79/24/1376147924.db2.gz PKBASNQLIPTCJT-SFHVURJKSA-N 1 2 343.471 3.180 20 30 EGEDLO C=C(Cl)C[N@@H+](CCCNC(=O)[C@@]1(C)C=CCC1)Cc1cccnc1 ZINC001230818242 1376158285 /nfs/dbraw/zinc/15/82/85/1376158285.db2.gz DTTKVHGBMALLDR-IBGZPJMESA-N 1 2 347.890 3.499 20 30 EGEDLO C=C(Cl)C[N@H+](CCCNC(=O)[C@@]1(C)C=CCC1)Cc1cccnc1 ZINC001230818242 1376158287 /nfs/dbraw/zinc/15/82/87/1376158287.db2.gz DTTKVHGBMALLDR-IBGZPJMESA-N 1 2 347.890 3.499 20 30 EGEDLO C=CCOCC(COCC=C)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231082975 1376200145 /nfs/dbraw/zinc/20/01/45/1376200145.db2.gz YTBRXTPWNZAFRO-UHFFFAOYSA-N 1 2 328.412 3.240 20 30 EGEDLO C[C@H](C[C@H](C)[NH2+]CC(F)(F)C(F)F)NC(=O)CCC(F)(F)F ZINC001134004663 1376306745 /nfs/dbraw/zinc/30/67/45/1376306745.db2.gz SDXRSDONZLEYLU-JGVFFNPUSA-N 1 2 340.283 3.102 20 30 EGEDLO COc1ncc(F)cc1C[N@@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001231746516 1376314660 /nfs/dbraw/zinc/31/46/60/1376314660.db2.gz HGPWWHSLEKIKIN-KRWDZBQOSA-N 1 2 341.386 3.144 20 30 EGEDLO COc1ncc(F)cc1C[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001231746516 1376314666 /nfs/dbraw/zinc/31/46/66/1376314666.db2.gz HGPWWHSLEKIKIN-KRWDZBQOSA-N 1 2 341.386 3.144 20 30 EGEDLO CCCOc1ncccc1C[NH+]1CCN(c2cccc(C#N)c2)CC1 ZINC001231866204 1376328981 /nfs/dbraw/zinc/32/89/81/1376328981.db2.gz HRHMCFKEUJFGFZ-UHFFFAOYSA-N 1 2 336.439 3.064 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1nc(Cl)ccc1F)C2 ZINC001232158634 1376411044 /nfs/dbraw/zinc/41/10/44/1376411044.db2.gz LSNJLZUYIZBPSQ-CXAGYDPISA-N 1 2 340.826 3.200 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1nc(Cl)ccc1F)C2 ZINC001232158634 1376411047 /nfs/dbraw/zinc/41/10/47/1376411047.db2.gz LSNJLZUYIZBPSQ-CXAGYDPISA-N 1 2 340.826 3.200 20 30 EGEDLO CC(=O)OC[C@H]1CCC2(C1)CC[NH+](Cc1cc(C#N)ccc1O)CC2 ZINC001232678375 1376499916 /nfs/dbraw/zinc/49/99/16/1376499916.db2.gz XABIAUCBWMTOKS-KRWDZBQOSA-N 1 2 342.439 3.209 20 30 EGEDLO N#Cc1ccc(O)c(C[NH+]2CCC(C(=O)c3ccccc3F)CC2)c1 ZINC001232680574 1376501019 /nfs/dbraw/zinc/50/10/19/1376501019.db2.gz FBYLXDFEZGALGE-UHFFFAOYSA-N 1 2 338.382 3.498 20 30 EGEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cccc(C#N)n1 ZINC001232926608 1376538627 /nfs/dbraw/zinc/53/86/27/1376538627.db2.gz VUYVCQSVOOOLGZ-QGTPRVQTSA-N 1 2 341.455 3.428 20 30 EGEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cccc(C#N)n1 ZINC001232926608 1376538632 /nfs/dbraw/zinc/53/86/32/1376538632.db2.gz VUYVCQSVOOOLGZ-QGTPRVQTSA-N 1 2 341.455 3.428 20 30 EGEDLO Cc1ccc(C[N@@H+]2CC3CC2(CNC(=O)OC(C)(C)C)C3)c(C#N)c1 ZINC001232963547 1376548452 /nfs/dbraw/zinc/54/84/52/1376548452.db2.gz IZYXUCBWZCKFHA-UHFFFAOYSA-N 1 2 341.455 3.356 20 30 EGEDLO Cc1ccc(C[N@H+]2CC3CC2(CNC(=O)OC(C)(C)C)C3)c(C#N)c1 ZINC001232963547 1376548456 /nfs/dbraw/zinc/54/84/56/1376548456.db2.gz IZYXUCBWZCKFHA-UHFFFAOYSA-N 1 2 341.455 3.356 20 30 EGEDLO CC(C)(C)OC(=O)N1CCC[C@]12CCC[N@H+](Cc1[nH]ccc1C#N)C2 ZINC001233046360 1376560459 /nfs/dbraw/zinc/56/04/59/1376560459.db2.gz UTQQXKUITRIYSJ-IBGZPJMESA-N 1 2 344.459 3.252 20 30 EGEDLO CC(C)(C)OC(=O)N1CCC[C@]12CCC[N@@H+](Cc1[nH]ccc1C#N)C2 ZINC001233046360 1376560464 /nfs/dbraw/zinc/56/04/64/1376560464.db2.gz UTQQXKUITRIYSJ-IBGZPJMESA-N 1 2 344.459 3.252 20 30 EGEDLO CC/C(C)=C/C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001234142081 1376776716 /nfs/dbraw/zinc/77/67/16/1376776716.db2.gz SBSBVQVJMIHNRM-RKCSUWQLSA-N 1 2 329.419 3.086 20 30 EGEDLO CC/C(C)=C/C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001234142081 1376776720 /nfs/dbraw/zinc/77/67/20/1376776720.db2.gz SBSBVQVJMIHNRM-RKCSUWQLSA-N 1 2 329.419 3.086 20 30 EGEDLO C=CC1(CC(=O)NCC[NH2+]Cc2ncc(C3CC3)o2)CCCCC1 ZINC001135187274 1376961347 /nfs/dbraw/zinc/96/13/47/1376961347.db2.gz SBGGVPZTNBMFNV-UHFFFAOYSA-N 1 2 331.460 3.284 20 30 EGEDLO C=CC1(CC(=O)NCC[NH2+]Cc2nc3c(o2)CCCC3)CCCCC1 ZINC001135197006 1376967974 /nfs/dbraw/zinc/96/79/74/1376967974.db2.gz SNAVGLKFZXNNIS-UHFFFAOYSA-N 1 2 345.487 3.286 20 30 EGEDLO CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@H+](Cc1ccc(C#N)cc1Cl)C2 ZINC001238083726 1376993172 /nfs/dbraw/zinc/99/31/72/1376993172.db2.gz WCUVMFPZCPLHDJ-KSSFIOAISA-N 1 2 347.846 3.311 20 30 EGEDLO CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@@H+](Cc1ccc(C#N)cc1Cl)C2 ZINC001238083726 1376993182 /nfs/dbraw/zinc/99/31/82/1376993182.db2.gz WCUVMFPZCPLHDJ-KSSFIOAISA-N 1 2 347.846 3.311 20 30 EGEDLO Cc1ccc(N2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)nc1 ZINC001238085827 1376995154 /nfs/dbraw/zinc/99/51/54/1376995154.db2.gz NMOIQNXPDGXHFP-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCc2cc(F)ccc2F)C1 ZINC001266251388 1377247994 /nfs/dbraw/zinc/24/79/94/1377247994.db2.gz CHOKSRRCJPKUNL-OAHLLOKOSA-N 1 2 342.817 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCc2cc(F)ccc2F)C1 ZINC001266251388 1377247996 /nfs/dbraw/zinc/24/79/96/1377247996.db2.gz CHOKSRRCJPKUNL-OAHLLOKOSA-N 1 2 342.817 3.231 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)Cc2c[nH]c3ccccc23)C1 ZINC001267789625 1377468868 /nfs/dbraw/zinc/46/88/68/1377468868.db2.gz JIVSIKNOKQJEQV-MRXNPFEDSA-N 1 2 345.874 3.386 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)Cc2c[nH]c3ccccc23)C1 ZINC001267789625 1377468870 /nfs/dbraw/zinc/46/88/70/1377468870.db2.gz JIVSIKNOKQJEQV-MRXNPFEDSA-N 1 2 345.874 3.386 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2csc(CCCC)n2)C1 ZINC001189269029 1388502245 /nfs/dbraw/zinc/50/22/45/1388502245.db2.gz FNGCQKSYJWVRFF-MRXNPFEDSA-N 1 2 335.517 3.485 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]([N@H+](C)Cc2csc(CCCC)n2)C1 ZINC001189269029 1388502250 /nfs/dbraw/zinc/50/22/50/1388502250.db2.gz FNGCQKSYJWVRFF-MRXNPFEDSA-N 1 2 335.517 3.485 20 30 EGEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2scc(C)c2Cl)CC1 ZINC001137292511 1377511303 /nfs/dbraw/zinc/51/13/03/1377511303.db2.gz CURHFSRBRFABFS-UHFFFAOYSA-N 1 2 326.849 3.379 20 30 EGEDLO C=C(C)c1cccc(C(C)(C)NC(=O)N2CCc3[nH+]ccn3CC2)c1 ZINC001189267929 1388502899 /nfs/dbraw/zinc/50/28/99/1388502899.db2.gz MJFNYTKPEPOJHB-UHFFFAOYSA-N 1 2 338.455 3.419 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1scnc1Cl)C2 ZINC001137820963 1377622215 /nfs/dbraw/zinc/62/22/15/1377622215.db2.gz BGUZSOUOFCJURE-SWLSCSKDSA-N 1 2 328.865 3.123 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1scnc1Cl)C2 ZINC001137820963 1377622217 /nfs/dbraw/zinc/62/22/17/1377622217.db2.gz BGUZSOUOFCJURE-SWLSCSKDSA-N 1 2 328.865 3.123 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cc(F)ccc1OC)CCO2 ZINC001138371952 1377711783 /nfs/dbraw/zinc/71/17/83/1377711783.db2.gz HKVYPKYPBQTZBB-YLJYHZDGSA-N 1 2 349.446 3.408 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1cc(F)ccc1OC)CCO2 ZINC001138371952 1377711784 /nfs/dbraw/zinc/71/17/84/1377711784.db2.gz HKVYPKYPBQTZBB-YLJYHZDGSA-N 1 2 349.446 3.408 20 30 EGEDLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001139646694 1377925382 /nfs/dbraw/zinc/92/53/82/1377925382.db2.gz FGPVZZZPWJZCRU-CQSZACIVSA-N 1 2 347.434 3.386 20 30 EGEDLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001139646694 1377925385 /nfs/dbraw/zinc/92/53/85/1377925385.db2.gz FGPVZZZPWJZCRU-CQSZACIVSA-N 1 2 347.434 3.386 20 30 EGEDLO Cc1cc[nH+]c(N2CCN(Cc3cccc(Cl)c3C#N)CC2)c1 ZINC001139692276 1377936370 /nfs/dbraw/zinc/93/63/70/1377936370.db2.gz UUDDYEOYZQHWAW-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO COc1ccc(O[C@@H]2CC[N@H+](Cc3cccc(Cl)c3C#N)C2)nc1 ZINC001139692521 1377936434 /nfs/dbraw/zinc/93/64/34/1377936434.db2.gz BJMNLLLGZYDAFT-OAHLLOKOSA-N 1 2 343.814 3.269 20 30 EGEDLO COc1ccc(O[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3C#N)C2)nc1 ZINC001139692521 1377936435 /nfs/dbraw/zinc/93/64/35/1377936435.db2.gz BJMNLLLGZYDAFT-OAHLLOKOSA-N 1 2 343.814 3.269 20 30 EGEDLO Cc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)cc1C#N ZINC001139726319 1377941966 /nfs/dbraw/zinc/94/19/66/1377941966.db2.gz IBVWODRLUVRJKN-UHFFFAOYSA-N 1 2 341.455 3.452 20 30 EGEDLO Cc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)cc1C#N ZINC001139726319 1377941967 /nfs/dbraw/zinc/94/19/67/1377941967.db2.gz IBVWODRLUVRJKN-UHFFFAOYSA-N 1 2 341.455 3.452 20 30 EGEDLO Cc1ccc2[nH]nc(C[NH+]3CCN(c4ccc(C#N)cc4)CC3)c2c1 ZINC001140330510 1378047042 /nfs/dbraw/zinc/04/70/42/1378047042.db2.gz CXIUFORKORPUPH-UHFFFAOYSA-N 1 2 331.423 3.065 20 30 EGEDLO N#Cc1c(F)cc(C[N@@H+]2CCC[C@@H](Oc3ccncc3)C2)cc1F ZINC001140755883 1378130504 /nfs/dbraw/zinc/13/05/04/1378130504.db2.gz XHALYHIWHYGTAW-OAHLLOKOSA-N 1 2 329.350 3.275 20 30 EGEDLO N#Cc1c(F)cc(C[N@H+]2CCC[C@@H](Oc3ccncc3)C2)cc1F ZINC001140755883 1378130508 /nfs/dbraw/zinc/13/05/08/1378130508.db2.gz XHALYHIWHYGTAW-OAHLLOKOSA-N 1 2 329.350 3.275 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1C#N)C2 ZINC001141164888 1378255810 /nfs/dbraw/zinc/25/58/10/1378255810.db2.gz MHXLBRULWKGKEV-RBUKOAKNSA-N 1 2 330.403 3.023 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(F)cc1C#N)C2 ZINC001141164888 1378255814 /nfs/dbraw/zinc/25/58/14/1378255814.db2.gz MHXLBRULWKGKEV-RBUKOAKNSA-N 1 2 330.403 3.023 20 30 EGEDLO N#Cc1ccc(Br)cc1C[N@@H+]1CC[C@]2(C1)CCCCO2 ZINC001141897047 1378391498 /nfs/dbraw/zinc/39/14/98/1378391498.db2.gz FYTCPNAADIHZOH-INIZCTEOSA-N 1 2 335.245 3.466 20 30 EGEDLO N#Cc1ccc(Br)cc1C[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001141897047 1378391500 /nfs/dbraw/zinc/39/15/00/1378391500.db2.gz FYTCPNAADIHZOH-INIZCTEOSA-N 1 2 335.245 3.466 20 30 EGEDLO N#Cc1ccc(Br)cc1C[N@@H+]1C[C@H]2CCCC(=O)[C@@H]2C1 ZINC001141907553 1378392772 /nfs/dbraw/zinc/39/27/72/1378392772.db2.gz GGIWNGQJZVHEIL-IUODEOHRSA-N 1 2 333.229 3.122 20 30 EGEDLO N#Cc1ccc(Br)cc1C[N@H+]1C[C@H]2CCCC(=O)[C@@H]2C1 ZINC001141907553 1378392773 /nfs/dbraw/zinc/39/27/73/1378392773.db2.gz GGIWNGQJZVHEIL-IUODEOHRSA-N 1 2 333.229 3.122 20 30 EGEDLO N#Cc1ccc(Br)cc1C[N@@H+]1C[C@@H]2CCCC(=O)[C@@H]2C1 ZINC001141907554 1378392885 /nfs/dbraw/zinc/39/28/85/1378392885.db2.gz GGIWNGQJZVHEIL-SWLSCSKDSA-N 1 2 333.229 3.122 20 30 EGEDLO N#Cc1ccc(Br)cc1C[N@H+]1C[C@@H]2CCCC(=O)[C@@H]2C1 ZINC001141907554 1378392888 /nfs/dbraw/zinc/39/28/88/1378392888.db2.gz GGIWNGQJZVHEIL-SWLSCSKDSA-N 1 2 333.229 3.122 20 30 EGEDLO CCC(=O)N(CC)C1CC[NH+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143732951 1378640242 /nfs/dbraw/zinc/64/02/42/1378640242.db2.gz ZDIFLNIYEJMCCP-UHFFFAOYSA-N 1 2 333.863 3.435 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3ccccc3C(F)(F)F)CC2)nc1 ZINC001144166835 1378690682 /nfs/dbraw/zinc/69/06/82/1378690682.db2.gz YJHGVKBOKRMWLI-UHFFFAOYSA-N 1 2 346.356 3.294 20 30 EGEDLO C#Cc1ccc(C[N@@H+]2Cc3ncn(CC4CC4)c3[C@@H](COCC)C2)cc1 ZINC001144569483 1378746003 /nfs/dbraw/zinc/74/60/03/1378746003.db2.gz RYJFWWQNNNHBLH-HXUWFJFHSA-N 1 2 349.478 3.410 20 30 EGEDLO C#Cc1ccc(C[N@H+]2Cc3ncn(CC4CC4)c3[C@@H](COCC)C2)cc1 ZINC001144569483 1378746006 /nfs/dbraw/zinc/74/60/06/1378746006.db2.gz RYJFWWQNNNHBLH-HXUWFJFHSA-N 1 2 349.478 3.410 20 30 EGEDLO C#Cc1ccc(C[N@@H+]2Cc3nn(CC4CC4)cc3[C@@H](COCC)C2)cc1 ZINC001144568890 1378746126 /nfs/dbraw/zinc/74/61/26/1378746126.db2.gz HJIFYUHJYHUJFY-HXUWFJFHSA-N 1 2 349.478 3.410 20 30 EGEDLO C#Cc1ccc(C[N@H+]2Cc3nn(CC4CC4)cc3[C@@H](COCC)C2)cc1 ZINC001144568890 1378746127 /nfs/dbraw/zinc/74/61/27/1378746127.db2.gz HJIFYUHJYHUJFY-HXUWFJFHSA-N 1 2 349.478 3.410 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nnc(C)s1)C2 ZINC001148124774 1379121077 /nfs/dbraw/zinc/12/10/77/1379121077.db2.gz HMHFFPSUZDAWMF-DZGCQCFKSA-N 1 2 348.516 3.044 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nnc(C)s1)C2 ZINC001148124774 1379121078 /nfs/dbraw/zinc/12/10/78/1379121078.db2.gz HMHFFPSUZDAWMF-DZGCQCFKSA-N 1 2 348.516 3.044 20 30 EGEDLO CCCCCCCCC(=O)NCC[NH2+]Cc1nc(C2CCC2)no1 ZINC001148721637 1379251802 /nfs/dbraw/zinc/25/18/02/1379251802.db2.gz IIGWLPZIGNFZBT-UHFFFAOYSA-N 1 2 336.480 3.294 20 30 EGEDLO CCCCCCCCCC(=O)NCC[NH2+]Cc1nc(C(F)F)no1 ZINC001148820691 1379275611 /nfs/dbraw/zinc/27/56/11/1379275611.db2.gz LFIFCSRGZDDHLG-UHFFFAOYSA-N 1 2 346.422 3.354 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)CCCC(C)(C)C)C1 ZINC001149433222 1379382327 /nfs/dbraw/zinc/38/23/27/1379382327.db2.gz YGPPFQXXMPQUIE-OAHLLOKOSA-N 1 2 330.900 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)CCCC(C)(C)C)C1 ZINC001149433222 1379382330 /nfs/dbraw/zinc/38/23/30/1379382330.db2.gz YGPPFQXXMPQUIE-OAHLLOKOSA-N 1 2 330.900 3.162 20 30 EGEDLO C=CCC1(C(=O)NCC[NH2+]Cc2nc(C(C)(C)C)no2)CCCCC1 ZINC001152010936 1379838601 /nfs/dbraw/zinc/83/86/01/1379838601.db2.gz VFWRKWLIAQZWSK-UHFFFAOYSA-N 1 2 348.491 3.100 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(Cl)n1C ZINC001153608181 1380101551 /nfs/dbraw/zinc/10/15/51/1380101551.db2.gz APVUZKAKFALIEX-CYBMUJFWSA-N 1 2 340.899 3.002 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(Cl)n1C ZINC001153608181 1380101555 /nfs/dbraw/zinc/10/15/55/1380101555.db2.gz APVUZKAKFALIEX-CYBMUJFWSA-N 1 2 340.899 3.002 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CC(F)F ZINC001154359833 1380264658 /nfs/dbraw/zinc/26/46/58/1380264658.db2.gz LTMGUSXQQRHZAK-GXSJLCMTSA-N 1 2 341.240 3.013 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CC(F)F ZINC001154359833 1380264659 /nfs/dbraw/zinc/26/46/59/1380264659.db2.gz LTMGUSXQQRHZAK-GXSJLCMTSA-N 1 2 341.240 3.013 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H](C)[N@H+](CC)CC(=C)Br ZINC001154605377 1380315347 /nfs/dbraw/zinc/31/53/47/1380315347.db2.gz HJYKRQQGHRUVKV-OAHLLOKOSA-N 1 2 343.309 3.305 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)Br ZINC001154605377 1380315348 /nfs/dbraw/zinc/31/53/48/1380315348.db2.gz HJYKRQQGHRUVKV-OAHLLOKOSA-N 1 2 343.309 3.305 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1csnc1OC ZINC001154756773 1380346480 /nfs/dbraw/zinc/34/64/80/1380346480.db2.gz FVBCRMNRJDHDDQ-ZIAGYGMSSA-N 1 2 339.505 3.081 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1csnc1OC ZINC001154756773 1380346482 /nfs/dbraw/zinc/34/64/82/1380346482.db2.gz FVBCRMNRJDHDDQ-ZIAGYGMSSA-N 1 2 339.505 3.081 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1coc(C2CC2)n1 ZINC001154757306 1380346757 /nfs/dbraw/zinc/34/67/57/1380346757.db2.gz OGTHYBAQKOLKEO-CABCVRRESA-N 1 2 333.476 3.481 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1coc(C2CC2)n1 ZINC001154757306 1380346758 /nfs/dbraw/zinc/34/67/58/1380346758.db2.gz OGTHYBAQKOLKEO-CABCVRRESA-N 1 2 333.476 3.481 20 30 EGEDLO N#CCc1cnc(N2CC[N@@H+]3CCc4ccccc4[C@@H]3C2)c(Cl)c1 ZINC001155102623 1380408990 /nfs/dbraw/zinc/40/89/90/1380408990.db2.gz AFCGGBRGOHBSDL-SFHVURJKSA-N 1 2 338.842 3.220 20 30 EGEDLO N#CCc1cnc(N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)c(Cl)c1 ZINC001155102623 1380408991 /nfs/dbraw/zinc/40/89/91/1380408991.db2.gz AFCGGBRGOHBSDL-SFHVURJKSA-N 1 2 338.842 3.220 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2nocc2C)CCCCC1 ZINC001157236239 1380821074 /nfs/dbraw/zinc/82/10/74/1380821074.db2.gz UIKJHLXRRDTGSM-QGZVFWFLSA-N 1 2 345.487 3.283 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2nocc2C)CCCCC1 ZINC001157236239 1380821077 /nfs/dbraw/zinc/82/10/77/1380821077.db2.gz UIKJHLXRRDTGSM-QGZVFWFLSA-N 1 2 345.487 3.283 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC1(C)C ZINC001157818233 1381042587 /nfs/dbraw/zinc/04/25/87/1381042587.db2.gz HUSIMUXRCLEKKU-KGLIPLIRSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC1(C)C ZINC001157818233 1381042590 /nfs/dbraw/zinc/04/25/90/1381042590.db2.gz HUSIMUXRCLEKKU-KGLIPLIRSA-N 1 2 343.309 3.254 20 30 EGEDLO C#CCCCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nocc1C ZINC001158316211 1381197274 /nfs/dbraw/zinc/19/72/74/1381197274.db2.gz CUDUWENQTOIZLE-GOSISDBHSA-N 1 2 345.487 3.380 20 30 EGEDLO C#CCCCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nocc1C ZINC001158316211 1381197279 /nfs/dbraw/zinc/19/72/79/1381197279.db2.gz CUDUWENQTOIZLE-GOSISDBHSA-N 1 2 345.487 3.380 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nocc1C ZINC001158370675 1381222228 /nfs/dbraw/zinc/22/22/28/1381222228.db2.gz YHXZDVSJPRMDLG-DOTOQJQBSA-N 1 2 333.476 3.398 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nocc1C ZINC001158370675 1381222245 /nfs/dbraw/zinc/22/22/45/1381222245.db2.gz YHXZDVSJPRMDLG-DOTOQJQBSA-N 1 2 333.476 3.398 20 30 EGEDLO Cc1ccc(CC#N)c(N2CCC[C@H](C(=O)OCc3ccccc3)C2)[nH+]1 ZINC001158418702 1381240191 /nfs/dbraw/zinc/24/01/91/1381240191.db2.gz UCNBMWCGJCBYLH-IBGZPJMESA-N 1 2 349.434 3.416 20 30 EGEDLO Cc1nc(NC(=N)c2ccc3cc(O)ccc3c2)cc(N2CCCC2)[nH+]1 ZINC001160019095 1381969238 /nfs/dbraw/zinc/96/92/38/1381969238.db2.gz VOKIAIIGMSXUOF-UHFFFAOYSA-N 1 2 347.422 3.281 20 30 EGEDLO CC(C)C#CC(=O)NCCC1=CC[N@H+](C/C(Cl)=C\Cl)CC1 ZINC001160055294 1381983025 /nfs/dbraw/zinc/98/30/25/1381983025.db2.gz YETLDYOSKJBNSZ-RVDMUPIBSA-N 1 2 329.271 3.103 20 30 EGEDLO CC(C)C#CC(=O)NCCC1=CC[N@@H+](C/C(Cl)=C\Cl)CC1 ZINC001160055294 1381983030 /nfs/dbraw/zinc/98/30/30/1381983030.db2.gz YETLDYOSKJBNSZ-RVDMUPIBSA-N 1 2 329.271 3.103 20 30 EGEDLO CN(Cc1c2ccccc2cc2ccccc21)C(=O)C[NH2+]CCC#N ZINC001160739217 1382182871 /nfs/dbraw/zinc/18/28/71/1382182871.db2.gz UMTMPEKCKJQDKD-UHFFFAOYSA-N 1 2 331.419 3.455 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@H+](Cc2nccs2)CC1 ZINC001160856450 1382216885 /nfs/dbraw/zinc/21/68/85/1382216885.db2.gz LXMJTLXUZYLFKL-UHFFFAOYSA-N 1 2 333.501 3.384 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2nccs2)CC1 ZINC001160856450 1382216891 /nfs/dbraw/zinc/21/68/91/1382216891.db2.gz LXMJTLXUZYLFKL-UHFFFAOYSA-N 1 2 333.501 3.384 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2nccs2)CC1 ZINC001160940832 1382243560 /nfs/dbraw/zinc/24/35/60/1382243560.db2.gz GOGSICLNTUITNR-CABCVRRESA-N 1 2 333.501 3.240 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2nccs2)CC1 ZINC001160940832 1382243565 /nfs/dbraw/zinc/24/35/65/1382243565.db2.gz GOGSICLNTUITNR-CABCVRRESA-N 1 2 333.501 3.240 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2cc(C)on2)CC1 ZINC001160942130 1382246107 /nfs/dbraw/zinc/24/61/07/1382246107.db2.gz WHHMPDFQJHOXOW-ZBFHGGJFSA-N 1 2 331.460 3.080 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2cc(C)on2)CC1 ZINC001160942130 1382246113 /nfs/dbraw/zinc/24/61/13/1382246113.db2.gz WHHMPDFQJHOXOW-ZBFHGGJFSA-N 1 2 331.460 3.080 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2nccc(C)n2)CC1 ZINC001160961193 1382251922 /nfs/dbraw/zinc/25/19/22/1382251922.db2.gz MFDPPBIHPMXPFF-INIZCTEOSA-N 1 2 342.487 3.026 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2nccc(C)n2)CC1 ZINC001160961193 1382251926 /nfs/dbraw/zinc/25/19/26/1382251926.db2.gz MFDPPBIHPMXPFF-INIZCTEOSA-N 1 2 342.487 3.026 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@H+](Cc2nccs2)CC1 ZINC001160990482 1382263685 /nfs/dbraw/zinc/26/36/85/1382263685.db2.gz BGTKUSBTPCHKLA-HNNXBMFYSA-N 1 2 333.501 3.384 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@@H+](Cc2nccs2)CC1 ZINC001160990482 1382263686 /nfs/dbraw/zinc/26/36/86/1382263686.db2.gz BGTKUSBTPCHKLA-HNNXBMFYSA-N 1 2 333.501 3.384 20 30 EGEDLO C=CCCCC(=O)NCCC1=CC[N@H+]([C@@H](C)c2ncccn2)CC1 ZINC001161056650 1382285601 /nfs/dbraw/zinc/28/56/01/1382285601.db2.gz MVWBGWULDZRKHW-INIZCTEOSA-N 1 2 328.460 3.032 20 30 EGEDLO C=CCCCC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2ncccn2)CC1 ZINC001161056650 1382285607 /nfs/dbraw/zinc/28/56/07/1382285607.db2.gz MVWBGWULDZRKHW-INIZCTEOSA-N 1 2 328.460 3.032 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@H+](Cc2cc(C)on2)CC1 ZINC001161116656 1382304481 /nfs/dbraw/zinc/30/44/81/1382304481.db2.gz MZZYNZHOBQVDTI-LJQANCHMSA-N 1 2 331.460 3.224 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@@H+](Cc2cc(C)on2)CC1 ZINC001161116656 1382304484 /nfs/dbraw/zinc/30/44/84/1382304484.db2.gz MZZYNZHOBQVDTI-LJQANCHMSA-N 1 2 331.460 3.224 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@H+](Cc2ncc(CC)o2)CC1 ZINC001161116444 1382304637 /nfs/dbraw/zinc/30/46/37/1382304637.db2.gz IWWAXRSVOOFHPZ-HXUWFJFHSA-N 1 2 345.487 3.478 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@@H+](Cc2ncc(CC)o2)CC1 ZINC001161116444 1382304641 /nfs/dbraw/zinc/30/46/41/1382304641.db2.gz IWWAXRSVOOFHPZ-HXUWFJFHSA-N 1 2 345.487 3.478 20 30 EGEDLO C=C1CC(C)(C(=O)NCCC2=CC[N@H+](Cc3cscn3)CC2)C1 ZINC001161173534 1382324320 /nfs/dbraw/zinc/32/43/20/1382324320.db2.gz QAKWQAZIPZRTGS-UHFFFAOYSA-N 1 2 331.485 3.138 20 30 EGEDLO C=C1CC(C)(C(=O)NCCC2=CC[N@@H+](Cc3cscn3)CC2)C1 ZINC001161173534 1382324324 /nfs/dbraw/zinc/32/43/24/1382324324.db2.gz QAKWQAZIPZRTGS-UHFFFAOYSA-N 1 2 331.485 3.138 20 30 EGEDLO CCOc1ccccc1N1CCN(c2[nH+]ccc3[nH]cc(C#N)c32)CC1 ZINC001163862363 1383130477 /nfs/dbraw/zinc/13/04/77/1383130477.db2.gz BIPMXXGQYMHVPH-UHFFFAOYSA-N 1 2 347.422 3.160 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnc(C(C)(C)C)s1 ZINC001329623320 1389188705 /nfs/dbraw/zinc/18/87/05/1389188705.db2.gz JVQXSFXRAZBOKU-NSHDSACASA-N 1 2 329.897 3.243 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnc(C(C)(C)C)s1 ZINC001329623320 1389188709 /nfs/dbraw/zinc/18/87/09/1389188709.db2.gz JVQXSFXRAZBOKU-NSHDSACASA-N 1 2 329.897 3.243 20 30 EGEDLO C#C[C@](C)(CC)Nc1c2[nH+]ccn2ccc1I ZINC001169697175 1384174688 /nfs/dbraw/zinc/17/46/88/1384174688.db2.gz HRZWMQRSBZMAHO-CYBMUJFWSA-N 1 2 339.180 3.153 20 30 EGEDLO CCOC(=O)CCc1ccc[nH+]c1NCc1ccc(C#N)c(F)c1 ZINC001170090717 1384234514 /nfs/dbraw/zinc/23/45/14/1384234514.db2.gz NATKOKGPTNIWNT-UHFFFAOYSA-N 1 2 327.359 3.200 20 30 EGEDLO COC(=O)c1cc2[nH+]c[nH]c2c(N[C@@H]2CCc3c2cccc3C#N)c1 ZINC001171062499 1384439719 /nfs/dbraw/zinc/43/97/19/1384439719.db2.gz FAYVVPLGWOZJGJ-OAHLLOKOSA-N 1 2 332.363 3.321 20 30 EGEDLO CC(=O)CC(C)(C)Nc1cc(/C=N/[S@](=O)C(C)(C)C)cc(C)[nH+]1 ZINC001171499598 1384542831 /nfs/dbraw/zinc/54/28/31/1384542831.db2.gz UNURPVBVQMILJJ-JBSURENYSA-N 1 2 337.489 3.441 20 30 EGEDLO O=C1C=C2C[N@H+]([C@@H]3CCc4cc(F)c(F)c(F)c4C3)CC[C@H]2S1 ZINC001171534057 1384554777 /nfs/dbraw/zinc/55/47/77/1384554777.db2.gz DKMSDVYRQYSBLU-BXUZGUMPSA-N 1 2 339.382 3.235 20 30 EGEDLO O=C1C=C2C[N@@H+]([C@@H]3CCc4cc(F)c(F)c(F)c4C3)CC[C@H]2S1 ZINC001171534057 1384554781 /nfs/dbraw/zinc/55/47/81/1384554781.db2.gz DKMSDVYRQYSBLU-BXUZGUMPSA-N 1 2 339.382 3.235 20 30 EGEDLO CCCC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001316947877 1384719976 /nfs/dbraw/zinc/71/99/76/1384719976.db2.gz OTSSUAGPWNCSBK-SFHVURJKSA-N 1 2 327.472 3.465 20 30 EGEDLO CCCC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001316947877 1384719981 /nfs/dbraw/zinc/71/99/81/1384719981.db2.gz OTSSUAGPWNCSBK-SFHVURJKSA-N 1 2 327.472 3.465 20 30 EGEDLO C[C@H](Cc1ccc(C#N)cc1)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001172313218 1384767192 /nfs/dbraw/zinc/76/71/92/1384767192.db2.gz RWJNXECGISJFRW-CRAIPNDOSA-N 1 2 333.426 3.295 20 30 EGEDLO C=CCOC1CCC([NH2+][C@H](Cc2ccccc2)C(=O)OCC)CC1 ZINC001173312916 1384956199 /nfs/dbraw/zinc/95/61/99/1384956199.db2.gz NCMXWNVDARJVBN-CTWPCTMYSA-N 1 2 331.456 3.264 20 30 EGEDLO CC1(C#N)CCC([N@@H+]2CCN(c3cccc(Cl)c3)C(=O)C2)CC1 ZINC001173598943 1384985198 /nfs/dbraw/zinc/98/51/98/1384985198.db2.gz WURYWFOTLHVMEH-UHFFFAOYSA-N 1 2 331.847 3.461 20 30 EGEDLO CC1(C#N)CCC([N@H+]2CCN(c3cccc(Cl)c3)C(=O)C2)CC1 ZINC001173598943 1384985200 /nfs/dbraw/zinc/98/52/00/1384985200.db2.gz WURYWFOTLHVMEH-UHFFFAOYSA-N 1 2 331.847 3.461 20 30 EGEDLO CC(=O)Nc1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1C#N ZINC001175717392 1385383646 /nfs/dbraw/zinc/38/36/46/1385383646.db2.gz JENRNKCVCHGZRL-UHFFFAOYSA-N 1 2 335.289 3.256 20 30 EGEDLO CCC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001317981903 1385598538 /nfs/dbraw/zinc/59/85/38/1385598538.db2.gz WKFTVPQMQMBOTA-INIZCTEOSA-N 1 2 331.435 3.214 20 30 EGEDLO CCC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001317981903 1385598540 /nfs/dbraw/zinc/59/85/40/1385598540.db2.gz WKFTVPQMQMBOTA-INIZCTEOSA-N 1 2 331.435 3.214 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)n1cc[nH+]c1 ZINC001318012811 1385608220 /nfs/dbraw/zinc/60/82/20/1385608220.db2.gz LHISZEIHNRDQRH-CYBMUJFWSA-N 1 2 333.351 3.142 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C3(CC(C)C)CCC3)C[C@@H]21 ZINC001177047390 1385784256 /nfs/dbraw/zinc/78/42/56/1385784256.db2.gz DSLRVWPGZFGRSM-ROUUACIJSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C3(CC(C)C)CCC3)C[C@@H]21 ZINC001177047390 1385784260 /nfs/dbraw/zinc/78/42/60/1385784260.db2.gz DSLRVWPGZFGRSM-ROUUACIJSA-N 1 2 334.504 3.081 20 30 EGEDLO C=CCn1cnn(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c1=S ZINC001319098370 1385960412 /nfs/dbraw/zinc/96/04/12/1385960412.db2.gz IRWYJPOSJIEHOI-QGZVFWFLSA-N 1 2 344.484 3.096 20 30 EGEDLO C=CCn1cnn(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c1=S ZINC001319098370 1385960415 /nfs/dbraw/zinc/96/04/15/1385960415.db2.gz IRWYJPOSJIEHOI-QGZVFWFLSA-N 1 2 344.484 3.096 20 30 EGEDLO Cc1cc(C#N)c(F)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177622620 1386009232 /nfs/dbraw/zinc/00/92/32/1386009232.db2.gz OZUXTDDXQZPFRP-KRWDZBQOSA-N 1 2 327.359 3.202 20 30 EGEDLO Cc1cc(C#N)c(F)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC001177622620 1386009235 /nfs/dbraw/zinc/00/92/35/1386009235.db2.gz OZUXTDDXQZPFRP-KRWDZBQOSA-N 1 2 327.359 3.202 20 30 EGEDLO Cc1cc(C)c(C(=O)N(C)CC[N@H+](C)Cc2ccccc2C#N)s1 ZINC001320007274 1386448000 /nfs/dbraw/zinc/44/80/00/1386448000.db2.gz LUDVJRBJAZFKAG-UHFFFAOYSA-N 1 2 341.480 3.441 20 30 EGEDLO Cc1cc(C)c(C(=O)N(C)CC[N@@H+](C)Cc2ccccc2C#N)s1 ZINC001320007274 1386448007 /nfs/dbraw/zinc/44/80/07/1386448007.db2.gz LUDVJRBJAZFKAG-UHFFFAOYSA-N 1 2 341.480 3.441 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2nc(C(C)(C)C)no2)[C@@H]1C ZINC001179452269 1386484963 /nfs/dbraw/zinc/48/49/63/1386484963.db2.gz QBYAWXYBRDQSDL-KKUMJFAQSA-N 1 2 348.491 3.363 20 30 EGEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC001320281889 1386568074 /nfs/dbraw/zinc/56/80/74/1386568074.db2.gz NGZWDZILJPAMDL-UHFFFAOYSA-N 1 2 349.645 3.167 20 30 EGEDLO C#CCOCC[N@H+](C)CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC001320281889 1386568078 /nfs/dbraw/zinc/56/80/78/1386568078.db2.gz NGZWDZILJPAMDL-UHFFFAOYSA-N 1 2 349.645 3.167 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC001181824984 1387061482 /nfs/dbraw/zinc/06/14/82/1387061482.db2.gz IQZYZDKXLIWGHX-OAQYLSRUSA-N 1 2 334.463 3.343 20 30 EGEDLO CC[NH+](CC)[C@H](C(=O)N1CCC[C@H](C#N)C1)c1ccccc1Cl ZINC001182220787 1387123906 /nfs/dbraw/zinc/12/39/06/1387123906.db2.gz NOGWQEXMJGUEDW-PBHICJAKSA-N 1 2 333.863 3.485 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C(C)(C)c2ccccc2C)C1 ZINC001330086592 1389305468 /nfs/dbraw/zinc/30/54/68/1389305468.db2.gz SQZZOLOFDPUCNP-OAHLLOKOSA-N 1 2 334.891 3.462 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001338749721 1389751723 /nfs/dbraw/zinc/75/17/23/1389751723.db2.gz SMUKNOVGTRWCKI-HOTGVXAUSA-N 1 2 331.508 3.493 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001338749721 1389751725 /nfs/dbraw/zinc/75/17/25/1389751725.db2.gz SMUKNOVGTRWCKI-HOTGVXAUSA-N 1 2 331.508 3.493 20 30 EGEDLO C=CCC[C@H]1CCCN1c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1CC ZINC001340442429 1390289981 /nfs/dbraw/zinc/28/99/81/1390289981.db2.gz OIJHCZAMHDKLDZ-IRXDYDNUSA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCC[C@H]1CCCN1c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1CC ZINC001340442429 1390289984 /nfs/dbraw/zinc/28/99/84/1390289984.db2.gz OIJHCZAMHDKLDZ-IRXDYDNUSA-N 1 2 347.507 3.015 20 30 EGEDLO C=C(C)CN(C)c1nnc([C@@H]2CCC[N@@H+]2C)n1Cc1ccccc1 ZINC001342266130 1390593206 /nfs/dbraw/zinc/59/32/06/1390593206.db2.gz UORQUIKSSIGUJI-KRWDZBQOSA-N 1 2 325.460 3.105 20 30 EGEDLO C=C(C)CN(C)c1nnc([C@@H]2CCC[N@H+]2C)n1Cc1ccccc1 ZINC001342266130 1390593210 /nfs/dbraw/zinc/59/32/10/1390593210.db2.gz UORQUIKSSIGUJI-KRWDZBQOSA-N 1 2 325.460 3.105 20 30 EGEDLO CC(C)[N@@H+]1CCC[C@H]1C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc21 ZINC001342716891 1390645039 /nfs/dbraw/zinc/64/50/39/1390645039.db2.gz JOMRUONIKCNUNP-MJGOQNOKSA-N 1 2 349.434 3.360 20 30 EGEDLO CC(C)[N@H+]1CCC[C@H]1C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc21 ZINC001342716891 1390645040 /nfs/dbraw/zinc/64/50/40/1390645040.db2.gz JOMRUONIKCNUNP-MJGOQNOKSA-N 1 2 349.434 3.360 20 30 EGEDLO N#CCC[C@H](C#N)C[NH2+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC001335366239 1390676427 /nfs/dbraw/zinc/67/64/27/1390676427.db2.gz LUVBCBGGMKPMSG-UYAOXDASSA-N 1 2 346.434 3.270 20 30 EGEDLO COC(=O)c1cnc([C@H](C)[NH2+]C2CC(C#N)(c3ccccc3)C2)s1 ZINC001345660127 1390873043 /nfs/dbraw/zinc/87/30/43/1390873043.db2.gz KESFPJNFJUPIJA-DTVQEZCTSA-N 1 2 341.436 3.204 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc(OCC2CC2)cc1 ZINC001485387610 1395875896 /nfs/dbraw/zinc/87/58/96/1395875896.db2.gz MCCNTTRVEFGSFX-CQSZACIVSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccc(OCC2CC2)cc1 ZINC001485387610 1395875902 /nfs/dbraw/zinc/87/59/02/1395875902.db2.gz MCCNTTRVEFGSFX-CQSZACIVSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](C)OC1CCCCCC1 ZINC001698996764 1406795145 /nfs/dbraw/zinc/79/51/45/1406795145.db2.gz MBKPAZUYEXIRAD-HNNXBMFYSA-N 1 2 330.900 3.257 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](C)OC1CCCCCC1 ZINC001698996764 1406795149 /nfs/dbraw/zinc/79/51/49/1406795149.db2.gz MBKPAZUYEXIRAD-HNNXBMFYSA-N 1 2 330.900 3.257 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2ccc(C)c(Cl)c2)C1 ZINC001485511695 1395991647 /nfs/dbraw/zinc/99/16/47/1395991647.db2.gz KVNHOUZZJZNSIA-CYBMUJFWSA-N 1 2 341.282 3.380 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)[C@H]1CC12CCCC2 ZINC001699001390 1406812174 /nfs/dbraw/zinc/81/21/74/1406812174.db2.gz STEGRISCGBLOHS-GOSISDBHSA-N 1 2 325.456 3.029 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)[C@H]1CC12CCCC2 ZINC001699001390 1406812180 /nfs/dbraw/zinc/81/21/80/1406812180.db2.gz STEGRISCGBLOHS-GOSISDBHSA-N 1 2 325.456 3.029 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)CCc1cncc(C)c1 ZINC001690450144 1404574546 /nfs/dbraw/zinc/57/45/46/1404574546.db2.gz AUPDGXMPAIMCII-KRWDZBQOSA-N 1 2 335.879 3.046 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)CCc1cncc(C)c1 ZINC001690450144 1404574549 /nfs/dbraw/zinc/57/45/49/1404574549.db2.gz AUPDGXMPAIMCII-KRWDZBQOSA-N 1 2 335.879 3.046 20 30 EGEDLO C[N@H+](CCNC(=O)CC1CCCCC1)Cc1ccc(C#N)cc1F ZINC001690922390 1404832032 /nfs/dbraw/zinc/83/20/32/1404832032.db2.gz KBKFFQDMTAEGOQ-UHFFFAOYSA-N 1 2 331.435 3.216 20 30 EGEDLO C[N@@H+](CCNC(=O)CC1CCCCC1)Cc1ccc(C#N)cc1F ZINC001690922390 1404832036 /nfs/dbraw/zinc/83/20/36/1404832036.db2.gz KBKFFQDMTAEGOQ-UHFFFAOYSA-N 1 2 331.435 3.216 20 30 EGEDLO Cc1ccc(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)c(C2CC2)n1 ZINC001690966813 1404874412 /nfs/dbraw/zinc/87/44/12/1404874412.db2.gz VKWROFIFSJGNFX-UHFFFAOYSA-N 1 2 348.450 3.001 20 30 EGEDLO Cc1ccc(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)c(C2CC2)n1 ZINC001690966813 1404874422 /nfs/dbraw/zinc/87/44/22/1404874422.db2.gz VKWROFIFSJGNFX-UHFFFAOYSA-N 1 2 348.450 3.001 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc2cccc(OC)c2o1)C1CC1 ZINC001691222617 1405164056 /nfs/dbraw/zinc/16/40/56/1405164056.db2.gz BOMCDYUWCDYJGA-UHFFFAOYSA-N 1 2 348.830 3.388 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc2cccc(OC)c2o1)C1CC1 ZINC001691222617 1405164058 /nfs/dbraw/zinc/16/40/58/1405164058.db2.gz BOMCDYUWCDYJGA-UHFFFAOYSA-N 1 2 348.830 3.388 20 30 EGEDLO CCCN(C(=O)c1ccoc1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001732033907 1428252642 /nfs/dbraw/zinc/25/26/42/1428252642.db2.gz NLXAPWHOMOJLOU-LJQANCHMSA-N 1 2 337.423 3.278 20 30 EGEDLO CCCN(C(=O)c1ccoc1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001732033907 1428252645 /nfs/dbraw/zinc/25/26/45/1428252645.db2.gz NLXAPWHOMOJLOU-LJQANCHMSA-N 1 2 337.423 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)Cc2noc3ccccc23)C1 ZINC001732183212 1428430848 /nfs/dbraw/zinc/43/08/48/1428430848.db2.gz VFZDLKVQEHCDON-AWEZNQCLSA-N 1 2 347.846 3.046 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)Cc2noc3ccccc23)C1 ZINC001732183212 1428430849 /nfs/dbraw/zinc/43/08/49/1428430849.db2.gz VFZDLKVQEHCDON-AWEZNQCLSA-N 1 2 347.846 3.046 20 30 EGEDLO C=CC1(CC(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)cn3)C2)CCCCC1 ZINC001713959105 1418740553 /nfs/dbraw/zinc/74/05/53/1418740553.db2.gz CCDPKXHWOVJNGR-SFHVURJKSA-N 1 2 345.462 3.438 20 30 EGEDLO C=CC1(CC(=O)N[C@H]2CC[N@H+](Cc3ccc(F)cn3)C2)CCCCC1 ZINC001713959105 1418740554 /nfs/dbraw/zinc/74/05/54/1418740554.db2.gz CCDPKXHWOVJNGR-SFHVURJKSA-N 1 2 345.462 3.438 20 30 EGEDLO Cc1ccc2oc(C(=O)NCC[N@@H+](C)Cc3ccccc3C#N)cc2c1 ZINC001714573211 1419306939 /nfs/dbraw/zinc/30/69/39/1419306939.db2.gz WJAFYGFWPYMVOD-UHFFFAOYSA-N 1 2 347.418 3.475 20 30 EGEDLO Cc1ccc2oc(C(=O)NCC[N@H+](C)Cc3ccccc3C#N)cc2c1 ZINC001714573211 1419306942 /nfs/dbraw/zinc/30/69/42/1419306942.db2.gz WJAFYGFWPYMVOD-UHFFFAOYSA-N 1 2 347.418 3.475 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc(-c2ccccc2)n[nH]1)C1CC1 ZINC001714669464 1419459214 /nfs/dbraw/zinc/45/92/14/1419459214.db2.gz WZPMBDXILRSEIW-UHFFFAOYSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc(-c2ccccc2)n[nH]1)C1CC1 ZINC001714669464 1419459215 /nfs/dbraw/zinc/45/92/15/1419459215.db2.gz WZPMBDXILRSEIW-UHFFFAOYSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(CCC)C(=O)CC2(C)CC2)C1 ZINC001714856091 1419572204 /nfs/dbraw/zinc/57/22/04/1419572204.db2.gz OCWLJSVLISCULN-AWEZNQCLSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CCC)C(=O)CC2(C)CC2)C1 ZINC001714856091 1419572206 /nfs/dbraw/zinc/57/22/06/1419572206.db2.gz OCWLJSVLISCULN-AWEZNQCLSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2ccc(OC)cc2)C1 ZINC001714862664 1419586679 /nfs/dbraw/zinc/58/66/79/1419586679.db2.gz RSYYAFNYFZCZMY-MRXNPFEDSA-N 1 2 336.863 3.374 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccc(OC)cc2)C1 ZINC001714862664 1419586682 /nfs/dbraw/zinc/58/66/82/1419586682.db2.gz RSYYAFNYFZCZMY-MRXNPFEDSA-N 1 2 336.863 3.374 20 30 EGEDLO CC[C@@H](CC(C)C)C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001714976322 1419710705 /nfs/dbraw/zinc/71/07/05/1419710705.db2.gz LDOIWZIFNXUEMH-KRWDZBQOSA-N 1 2 345.462 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CCc2cccc(F)c2F)C1 ZINC001715029815 1419762388 /nfs/dbraw/zinc/76/23/88/1419762388.db2.gz GNXCNJYVGORWNL-CQSZACIVSA-N 1 2 342.817 3.183 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CCc2cccc(F)c2F)C1 ZINC001715029815 1419762390 /nfs/dbraw/zinc/76/23/90/1419762390.db2.gz GNXCNJYVGORWNL-CQSZACIVSA-N 1 2 342.817 3.183 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)CCC1CCC1 ZINC001715793700 1420346113 /nfs/dbraw/zinc/34/61/13/1420346113.db2.gz PVTUDSDGYVWFEX-UHFFFAOYSA-N 1 2 331.435 3.168 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)CCC1CCC1 ZINC001715793700 1420346116 /nfs/dbraw/zinc/34/61/16/1420346116.db2.gz PVTUDSDGYVWFEX-UHFFFAOYSA-N 1 2 331.435 3.168 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]c2cccc(C)c12 ZINC001722906998 1424238801 /nfs/dbraw/zinc/23/88/01/1424238801.db2.gz UFTZCTQMKNEWJU-CQSZACIVSA-N 1 2 333.863 3.208 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]c2cccc(C)c12 ZINC001722906998 1424238808 /nfs/dbraw/zinc/23/88/08/1424238808.db2.gz UFTZCTQMKNEWJU-CQSZACIVSA-N 1 2 333.863 3.208 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)C[C@H](C)C1CC1 ZINC001724861426 1425244019 /nfs/dbraw/zinc/24/40/19/1425244019.db2.gz VRNRAHQDDFMWHG-LBPRGKRZSA-N 1 2 331.298 3.112 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)C[C@H](C)C1CC1 ZINC001724861426 1425244022 /nfs/dbraw/zinc/24/40/22/1425244022.db2.gz VRNRAHQDDFMWHG-LBPRGKRZSA-N 1 2 331.298 3.112 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CCC2CCC2)C[C@@H]1C ZINC001724993821 1425397376 /nfs/dbraw/zinc/39/73/76/1425397376.db2.gz LIIJHQPVJOQHEO-ZFWWWQNUSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CCC2CCC2)C[C@@H]1C ZINC001724993821 1425397378 /nfs/dbraw/zinc/39/73/78/1425397378.db2.gz LIIJHQPVJOQHEO-ZFWWWQNUSA-N 1 2 343.309 3.444 20 30 EGEDLO C[N@H+](CCNC(=O)[C@]1(C)CCc2ccccc21)Cc1ccccc1C#N ZINC001731797901 1427955531 /nfs/dbraw/zinc/95/55/31/1427955531.db2.gz ZIIYGEASIBHJHB-JOCHJYFZSA-N 1 2 347.462 3.010 20 30 EGEDLO C[N@@H+](CCNC(=O)[C@]1(C)CCc2ccccc21)Cc1ccccc1C#N ZINC001731797901 1427955533 /nfs/dbraw/zinc/95/55/33/1427955533.db2.gz ZIIYGEASIBHJHB-JOCHJYFZSA-N 1 2 347.462 3.010 20 30 EGEDLO C=CCC1(C(=O)NCCC[N@@H+](C)Cc2ncc(Cl)s2)CCC1 ZINC001752057800 1440136826 /nfs/dbraw/zinc/13/68/26/1440136826.db2.gz BSZHJQVNLYXBKB-UHFFFAOYSA-N 1 2 341.908 3.481 20 30 EGEDLO C=CCC1(C(=O)NCCC[N@H+](C)Cc2ncc(Cl)s2)CCC1 ZINC001752057800 1440136827 /nfs/dbraw/zinc/13/68/27/1440136827.db2.gz BSZHJQVNLYXBKB-UHFFFAOYSA-N 1 2 341.908 3.481 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)c2cncs2)CC1 ZINC001752431677 1440178519 /nfs/dbraw/zinc/17/85/19/1440178519.db2.gz LKAYHJRUQKKFCL-UHFFFAOYSA-N 1 2 327.881 3.212 20 30 EGEDLO C=CCCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2csc(CCC)n2)C1 ZINC001752987535 1440258458 /nfs/dbraw/zinc/25/84/58/1440258458.db2.gz BTPIDSFLWMBDHJ-MRXNPFEDSA-N 1 2 335.517 3.485 20 30 EGEDLO C=CCCC(=O)N1CCC[C@@H]([N@H+](C)Cc2csc(CCC)n2)C1 ZINC001752987535 1440258459 /nfs/dbraw/zinc/25/84/59/1440258459.db2.gz BTPIDSFLWMBDHJ-MRXNPFEDSA-N 1 2 335.517 3.485 20 30 EGEDLO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1C(C)(C)C)Cc1cc(F)ccc1C#N ZINC001753085318 1440295915 /nfs/dbraw/zinc/29/59/15/1440295915.db2.gz AIIGKWUIFXGUNP-QZTJIDSGSA-N 1 2 345.462 3.318 20 30 EGEDLO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1C(C)(C)C)Cc1cc(F)ccc1C#N ZINC001753085318 1440295916 /nfs/dbraw/zinc/29/59/16/1440295916.db2.gz AIIGKWUIFXGUNP-QZTJIDSGSA-N 1 2 345.462 3.318 20 30 EGEDLO C=CCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1nc(C(C)(C)C)cs1 ZINC001753097893 1440303250 /nfs/dbraw/zinc/30/32/50/1440303250.db2.gz RUHSGFJHWXTFFH-AWEZNQCLSA-N 1 2 335.517 3.487 20 30 EGEDLO C=CCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1nc(C(C)(C)C)cs1 ZINC001753097893 1440303251 /nfs/dbraw/zinc/30/32/51/1440303251.db2.gz RUHSGFJHWXTFFH-AWEZNQCLSA-N 1 2 335.517 3.487 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H](C)OC1CCCCCC1)C1CC1 ZINC001753158628 1440332460 /nfs/dbraw/zinc/33/24/60/1440332460.db2.gz ANGFZWIQTZBXBS-OAHLLOKOSA-N 1 2 342.911 3.447 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H](C)OC1CCCCCC1)C1CC1 ZINC001753158628 1440332461 /nfs/dbraw/zinc/33/24/61/1440332461.db2.gz ANGFZWIQTZBXBS-OAHLLOKOSA-N 1 2 342.911 3.447 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccc(-c2c[nH]cn2)cc1)C1CC1 ZINC001753161465 1440334155 /nfs/dbraw/zinc/33/41/55/1440334155.db2.gz GEBSXJKNCBCBNF-UHFFFAOYSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccc(-c2c[nH]cn2)cc1)C1CC1 ZINC001753161465 1440334156 /nfs/dbraw/zinc/33/41/56/1440334156.db2.gz GEBSXJKNCBCBNF-UHFFFAOYSA-N 1 2 344.846 3.023 20 30 EGEDLO N#Cc1ccc(F)cc1C[NH2+][C@H](CNC(=O)C1CC1)c1ccccc1 ZINC001753294885 1440351960 /nfs/dbraw/zinc/35/19/60/1440351960.db2.gz XANKELNBBDAEPJ-LJQANCHMSA-N 1 2 337.398 3.054 20 30 EGEDLO CCC(CC)[C@H](C)C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001753405794 1440391879 /nfs/dbraw/zinc/39/18/79/1440391879.db2.gz SSCIVSXGGIGLSH-AWEZNQCLSA-N 1 2 345.462 3.318 20 30 EGEDLO C[C@H]1CCCC[C@@H]1CC(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001753415681 1440394308 /nfs/dbraw/zinc/39/43/08/1440394308.db2.gz JUUAUMNUBAZMBX-FUHWJXTLSA-N 1 2 339.483 3.323 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CN(CC)c2ccccc2)C1 ZINC001753461250 1440410728 /nfs/dbraw/zinc/41/07/28/1440410728.db2.gz HFNAKNFWUGFYSN-GOSISDBHSA-N 1 2 349.906 3.188 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CN(CC)c2ccccc2)C1 ZINC001753461250 1440410729 /nfs/dbraw/zinc/41/07/29/1440410729.db2.gz HFNAKNFWUGFYSN-GOSISDBHSA-N 1 2 349.906 3.188 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CC(F)(F)C(F)(F)F)C1 ZINC001753463247 1440411919 /nfs/dbraw/zinc/41/19/19/1440411919.db2.gz FKJKOYVUJNJDPY-SNVBAGLBSA-N 1 2 348.743 3.249 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CC(F)(F)C(F)(F)F)C1 ZINC001753463247 1440411920 /nfs/dbraw/zinc/41/19/20/1440411920.db2.gz FKJKOYVUJNJDPY-SNVBAGLBSA-N 1 2 348.743 3.249 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H](CC)[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC001753490296 1440419328 /nfs/dbraw/zinc/41/93/28/1440419328.db2.gz SKORHJFOGKHMPX-KBPBESRZSA-N 1 2 348.491 3.269 20 30 EGEDLO C=C(Cl)C[NH2+]CCN(CC)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC001754050096 1440535617 /nfs/dbraw/zinc/53/56/17/1440535617.db2.gz JBBUIEHWMYDZIN-UHFFFAOYSA-N 1 2 338.883 3.262 20 30 EGEDLO C=CC(C)(C)CC(=O)NC/C=C/C[NH2+]Cc1cc(C(C)(C)C)on1 ZINC001754125996 1440543251 /nfs/dbraw/zinc/54/32/51/1440543251.db2.gz TZNLZYYFTYPZEK-CMDGGOBGSA-N 1 2 333.476 3.336 20 30 EGEDLO C=C[C@H](C(=O)NC/C=C/C[NH2+][C@@H](C)c1ncc(C)o1)c1ccccc1 ZINC001754208720 1440550821 /nfs/dbraw/zinc/55/08/21/1440550821.db2.gz AMRQQRWUJYKSNX-LFGVRAQPSA-N 1 2 339.439 3.276 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cc(Cl)cc(OC)c1 ZINC001754329324 1440582462 /nfs/dbraw/zinc/58/24/62/1440582462.db2.gz ZJLZPHHXIIPSRS-NSHDSACASA-N 1 2 331.243 3.151 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cc(Cl)cc(OC)c1 ZINC001754329324 1440582463 /nfs/dbraw/zinc/58/24/63/1440582463.db2.gz ZJLZPHHXIIPSRS-NSHDSACASA-N 1 2 331.243 3.151 20 30 EGEDLO CC(C)c1ncc(C(=O)N2CCC([N@H+](CC#N)CC3CC3)CC2)s1 ZINC001754549350 1440629349 /nfs/dbraw/zinc/62/93/49/1440629349.db2.gz CAOVYMFRTUBPCQ-UHFFFAOYSA-N 1 2 346.500 3.107 20 30 EGEDLO CC(C)c1ncc(C(=O)N2CCC([N@@H+](CC#N)CC3CC3)CC2)s1 ZINC001754549350 1440629350 /nfs/dbraw/zinc/62/93/50/1440629350.db2.gz CAOVYMFRTUBPCQ-UHFFFAOYSA-N 1 2 346.500 3.107 20 30 EGEDLO CC#CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cncc(C)c1 ZINC001754552776 1440630479 /nfs/dbraw/zinc/63/04/79/1440630479.db2.gz LTNAZYASVIUREM-BGYRXZFFSA-N 1 2 339.483 3.149 20 30 EGEDLO CC#CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cncc(C)c1 ZINC001754552776 1440630480 /nfs/dbraw/zinc/63/04/80/1440630480.db2.gz LTNAZYASVIUREM-BGYRXZFFSA-N 1 2 339.483 3.149 20 30 EGEDLO CC(C(=O)N[C@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1)=C1CCC1 ZINC001754669355 1440657577 /nfs/dbraw/zinc/65/75/77/1440657577.db2.gz AAQMKLBXJMFDPZ-HXUWFJFHSA-N 1 2 341.430 3.278 20 30 EGEDLO CC(C(=O)N[C@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1)=C1CCC1 ZINC001754669355 1440657578 /nfs/dbraw/zinc/65/75/78/1440657578.db2.gz AAQMKLBXJMFDPZ-HXUWFJFHSA-N 1 2 341.430 3.278 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1COCC[N@@H+]1CC/C=C\c1ccccc1 ZINC001754967154 1440718379 /nfs/dbraw/zinc/71/83/79/1440718379.db2.gz BMUKFEUNPAYOMT-GFWYJJLOSA-N 1 2 342.483 3.263 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1COCC[N@H+]1CC/C=C\c1ccccc1 ZINC001754967154 1440718380 /nfs/dbraw/zinc/71/83/80/1440718380.db2.gz BMUKFEUNPAYOMT-GFWYJJLOSA-N 1 2 342.483 3.263 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)CCC[N@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001755042091 1440737894 /nfs/dbraw/zinc/73/78/94/1440737894.db2.gz TYEPDZAZJAHTBA-UHFFFAOYSA-N 1 2 331.460 3.189 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)CCC[N@@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001755042091 1440737895 /nfs/dbraw/zinc/73/78/95/1440737895.db2.gz TYEPDZAZJAHTBA-UHFFFAOYSA-N 1 2 331.460 3.189 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1(CC#C)CCCCC1 ZINC001755075153 1440748198 /nfs/dbraw/zinc/74/81/98/1440748198.db2.gz ABTJAOWGENGIMW-NRFANRHFSA-N 1 2 348.490 3.137 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1(CC#C)CCCCC1 ZINC001755075153 1440748199 /nfs/dbraw/zinc/74/81/99/1440748199.db2.gz ABTJAOWGENGIMW-NRFANRHFSA-N 1 2 348.490 3.137 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CC[N@H+](Cc2nccc(C)n2)CC1(C)C ZINC001755140633 1440760012 /nfs/dbraw/zinc/76/00/12/1440760012.db2.gz BLTIRUDGTRZYHL-DLBZAZTESA-N 1 2 344.503 3.104 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CC[N@@H+](Cc2nccc(C)n2)CC1(C)C ZINC001755140633 1440760013 /nfs/dbraw/zinc/76/00/13/1440760013.db2.gz BLTIRUDGTRZYHL-DLBZAZTESA-N 1 2 344.503 3.104 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)/C(C)=C/CC)C[C@@H]1C ZINC001755158584 1440763950 /nfs/dbraw/zinc/76/39/50/1440763950.db2.gz XEQBIASOHKBMGM-IOMPXFEGSA-N 1 2 329.282 3.220 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)/C(C)=C/CC)C[C@@H]1C ZINC001755158584 1440763951 /nfs/dbraw/zinc/76/39/51/1440763951.db2.gz XEQBIASOHKBMGM-IOMPXFEGSA-N 1 2 329.282 3.220 20 30 EGEDLO C=C(C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nc(C2CCCC2)no1 ZINC001755238390 1440788870 /nfs/dbraw/zinc/78/88/70/1440788870.db2.gz VRMUOCNBIZEVGG-UONOGXRCSA-N 1 2 334.464 3.066 20 30 EGEDLO C#CCCCC(=O)N[C@H](C)C1C[NH+](Cc2cc(F)ccc2Cl)C1 ZINC001755373924 1440837703 /nfs/dbraw/zinc/83/77/03/1440837703.db2.gz NMVPAXXPTSEOJT-CYBMUJFWSA-N 1 2 336.838 3.219 20 30 EGEDLO C#CCCCCCC(=O)N[C@H](C)C1C[NH+](Cc2ccc(Cl)nc2)C1 ZINC001755384649 1440840279 /nfs/dbraw/zinc/84/02/79/1440840279.db2.gz SIZFXHCVQXETNW-OAHLLOKOSA-N 1 2 347.890 3.255 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2nsc3ccccc23)C1 ZINC001755391881 1440842376 /nfs/dbraw/zinc/84/23/76/1440842376.db2.gz OHXNNCWXOUPPHN-GFCCVEGCSA-N 1 2 349.887 3.028 20 30 EGEDLO CCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)CC1(C)C ZINC001755404015 1440843602 /nfs/dbraw/zinc/84/36/02/1440843602.db2.gz ZEXGNRVTXFYNSG-QGZVFWFLSA-N 1 2 332.875 3.318 20 30 EGEDLO CCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)CC1(C)C ZINC001755404015 1440843603 /nfs/dbraw/zinc/84/36/03/1440843603.db2.gz ZEXGNRVTXFYNSG-QGZVFWFLSA-N 1 2 332.875 3.318 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1ncc(C)cn1)CC2 ZINC001755701193 1440900208 /nfs/dbraw/zinc/90/02/08/1440900208.db2.gz JCRIHLMBQKOCAZ-OXJNMPFZSA-N 1 2 342.487 3.001 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@]12CCC[C@@H]1[N@@H+](Cc1ncc(C)cn1)CC2 ZINC001755701193 1440900209 /nfs/dbraw/zinc/90/02/09/1440900209.db2.gz JCRIHLMBQKOCAZ-OXJNMPFZSA-N 1 2 342.487 3.001 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CCC[N@H+](Cc2cc3n(n2)CCCC3)[C@H]1C ZINC001755723132 1440908411 /nfs/dbraw/zinc/90/84/11/1440908411.db2.gz QCUWSKWGLMLTIM-LPHOPBHVSA-N 1 2 344.503 3.045 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc3n(n2)CCCC3)[C@H]1C ZINC001755723132 1440908412 /nfs/dbraw/zinc/90/84/12/1440908412.db2.gz QCUWSKWGLMLTIM-LPHOPBHVSA-N 1 2 344.503 3.045 20 30 EGEDLO C=CCC[C@H](C)[NH2+]C[C@H](NC(=O)c1cc2cccn2cn1)C(C)(C)C ZINC001755826714 1440927522 /nfs/dbraw/zinc/92/75/22/1440927522.db2.gz WYIMQCAQGQKQEP-YJBOKZPZSA-N 1 2 342.487 3.423 20 30 EGEDLO C=CCC[NH2+]C[C@@H](NC(=O)Cc1ccc2cccnc2c1)C(C)(C)C ZINC001755826710 1440927530 /nfs/dbraw/zinc/92/75/30/1440927530.db2.gz WWAWCFDWBPDJFM-LJQANCHMSA-N 1 2 339.483 3.474 20 30 EGEDLO C=CC[NH+]1CCN(c2cnc(Cl)nc2Oc2cccc(F)c2)CC1 ZINC001165034039 721873080 /nfs/dbraw/zinc/87/30/80/721873080.db2.gz DFLBRELVAXILHY-UHFFFAOYSA-N 1 2 348.809 3.369 20 30 EGEDLO N#Cc1cccc(NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000178587694 232277276 /nfs/dbraw/zinc/27/72/76/232277276.db2.gz QAXPNAJUUCEDMS-UHFFFAOYSA-N 1 2 338.386 3.047 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)ccc1F ZINC000179512722 233119317 /nfs/dbraw/zinc/11/93/17/233119317.db2.gz PHUZXUSUXHLTGP-CQSZACIVSA-N 1 2 325.391 3.072 20 30 EGEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)ccc1F ZINC000179512722 233119322 /nfs/dbraw/zinc/11/93/22/233119322.db2.gz PHUZXUSUXHLTGP-CQSZACIVSA-N 1 2 325.391 3.072 20 30 EGEDLO COCCOc1ccc(C#N)cc1NCc1cn2cccc(C)c2[nH+]1 ZINC000181909297 234376478 /nfs/dbraw/zinc/37/64/78/234376478.db2.gz FCFSIQIGUSQOMX-UHFFFAOYSA-N 1 2 336.395 3.152 20 30 EGEDLO CC(C)[C@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CCS1 ZINC000072836237 216314214 /nfs/dbraw/zinc/31/42/14/216314214.db2.gz OBIWNDSJYDBSFH-OAHLLOKOSA-N 1 2 337.876 3.224 20 30 EGEDLO CC(C)[C@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CCS1 ZINC000072836237 216314215 /nfs/dbraw/zinc/31/42/15/216314215.db2.gz OBIWNDSJYDBSFH-OAHLLOKOSA-N 1 2 337.876 3.224 20 30 EGEDLO Cn1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)cc1C#N ZINC000191450352 239122008 /nfs/dbraw/zinc/12/20/08/239122008.db2.gz BSYSOJRHWYYWEG-DLBZAZTESA-N 1 2 349.356 3.223 20 30 EGEDLO Cn1cc(C[N@H+]2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)cc1C#N ZINC000191450352 239122014 /nfs/dbraw/zinc/12/20/14/239122014.db2.gz BSYSOJRHWYYWEG-DLBZAZTESA-N 1 2 349.356 3.223 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000095431561 218373475 /nfs/dbraw/zinc/37/34/75/218373475.db2.gz UKIKFJQGWHJXKQ-UHFFFAOYSA-N 1 2 329.282 3.056 20 30 EGEDLO C[C@H](c1ccco1)[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C1CC1 ZINC000119163143 221257302 /nfs/dbraw/zinc/25/73/02/221257302.db2.gz YGRHOAPMBAHFQA-CQSZACIVSA-N 1 2 344.436 3.151 20 30 EGEDLO C[C@H](c1ccco1)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C1CC1 ZINC000119163143 221257304 /nfs/dbraw/zinc/25/73/04/221257304.db2.gz YGRHOAPMBAHFQA-CQSZACIVSA-N 1 2 344.436 3.151 20 30 EGEDLO CNC(=O)c1ccc([C@H]2CCCC[N@@H+]2Cc2cc(C#N)cs2)n1C ZINC000328648082 258021127 /nfs/dbraw/zinc/02/11/27/258021127.db2.gz UKFYYFMCQZFHQL-MRXNPFEDSA-N 1 2 342.468 3.045 20 30 EGEDLO CNC(=O)c1ccc([C@H]2CCCC[N@H+]2Cc2cc(C#N)cs2)n1C ZINC000328648082 258021128 /nfs/dbraw/zinc/02/11/28/258021128.db2.gz UKFYYFMCQZFHQL-MRXNPFEDSA-N 1 2 342.468 3.045 20 30 EGEDLO COc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2OC)c(OC)c1 ZINC000179654597 533541176 /nfs/dbraw/zinc/54/11/76/533541176.db2.gz VFVSATBQWDWVPQ-UHFFFAOYSA-N 1 2 326.396 3.216 20 30 EGEDLO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2OC)c(OC)c1 ZINC000179654597 533541178 /nfs/dbraw/zinc/54/11/78/533541178.db2.gz VFVSATBQWDWVPQ-UHFFFAOYSA-N 1 2 326.396 3.216 20 30 EGEDLO C[C@@H](c1nccs1)N1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000192190064 144171837 /nfs/dbraw/zinc/17/18/37/144171837.db2.gz HIIAQZOVEYZEHF-ZDUSSCGKSA-N 1 2 330.432 3.033 20 30 EGEDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cn3ccccc3c1C#N)CC2 ZINC000357023128 144326319 /nfs/dbraw/zinc/32/63/19/144326319.db2.gz KVCRQMPARRJRHX-UHFFFAOYSA-N 1 2 345.402 3.156 20 30 EGEDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cn3ccccc3c1C#N)CC2 ZINC000357023128 144326321 /nfs/dbraw/zinc/32/63/21/144326321.db2.gz KVCRQMPARRJRHX-UHFFFAOYSA-N 1 2 345.402 3.156 20 30 EGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)Cc1ccc(C#N)c(F)c1 ZINC000361702603 144351654 /nfs/dbraw/zinc/35/16/54/144351654.db2.gz NOFOHPDGAUUMBD-UHFFFAOYSA-N 1 2 326.297 3.088 20 30 EGEDLO COC(=O)c1ccc([C@H](C)[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)o1 ZINC000341120848 155171887 /nfs/dbraw/zinc/17/18/87/155171887.db2.gz IQZWMNWRNAMOQP-UGSOOPFHSA-N 1 2 340.379 3.072 20 30 EGEDLO COC(=O)c1ccc([C@H](C)[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)o1 ZINC000341120848 155171890 /nfs/dbraw/zinc/17/18/90/155171890.db2.gz IQZWMNWRNAMOQP-UGSOOPFHSA-N 1 2 340.379 3.072 20 30 EGEDLO N#Cc1ccc([C@@H]([NH2+][C@H]2CCSc3c(F)cccc32)C(N)=O)cc1 ZINC000115595924 152020453 /nfs/dbraw/zinc/02/04/53/152020453.db2.gz CDYJGXBFCXDHNY-JKSUJKDBSA-N 1 2 341.411 3.050 20 30 EGEDLO C[C@H](c1ccccc1Cl)N1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191229091 153182602 /nfs/dbraw/zinc/18/26/02/153182602.db2.gz KMLCBMHLULLHGI-OAHLLOKOSA-N 1 2 342.874 3.429 20 30 EGEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000338890256 163376601 /nfs/dbraw/zinc/37/66/01/163376601.db2.gz OWYJODNURJAIGU-UHFFFAOYSA-N 1 2 346.434 3.433 20 30 EGEDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1C(F)(F)F ZINC000341990464 163756359 /nfs/dbraw/zinc/75/63/59/163756359.db2.gz CMMXNLPPVKVMBN-MEDUHNTESA-N 1 2 347.340 3.454 20 30 EGEDLO CN(C)c1ccc(CNc2c(C#N)cnc3c(F)cc(F)cc32)c[nH+]1 ZINC000352328097 165346028 /nfs/dbraw/zinc/34/60/28/165346028.db2.gz AWTXYPKJVICJJA-UHFFFAOYSA-N 1 2 339.349 3.458 20 30 EGEDLO CC1(C)CC[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000359035055 167044851 /nfs/dbraw/zinc/04/48/51/167044851.db2.gz AQTJNPPVRLYTDD-SFHVURJKSA-N 1 2 325.456 3.029 20 30 EGEDLO COC(=O)[C@@H](C)[N@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000361175134 167546374 /nfs/dbraw/zinc/54/63/74/167546374.db2.gz LGOJXUMTFHIASH-OAHLLOKOSA-N 1 2 338.407 3.131 20 30 EGEDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000361175134 167546375 /nfs/dbraw/zinc/54/63/75/167546375.db2.gz LGOJXUMTFHIASH-OAHLLOKOSA-N 1 2 338.407 3.131 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+](Cc2ccncc2)C2CC2)cc1Cl ZINC000122336849 222065953 /nfs/dbraw/zinc/06/59/53/222065953.db2.gz WJNRPTRHZHODRO-UHFFFAOYSA-N 1 2 340.814 3.210 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+](Cc2ccncc2)C2CC2)cc1Cl ZINC000122336849 222065956 /nfs/dbraw/zinc/06/59/56/222065956.db2.gz WJNRPTRHZHODRO-UHFFFAOYSA-N 1 2 340.814 3.210 20 30 EGEDLO N#Cc1cccc(-c2cc(C(=O)Nc3cccc4[nH+]ccn43)on2)c1 ZINC000448149165 269970376 /nfs/dbraw/zinc/97/03/76/269970376.db2.gz VBTCFMJJLIZBRD-UHFFFAOYSA-N 1 2 329.319 3.113 20 30 EGEDLO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCO[C@@H](CF)C2)c1 ZINC000414467771 270047281 /nfs/dbraw/zinc/04/72/81/270047281.db2.gz DRERXRMOJQRDMM-FQEVSTJZSA-N 1 2 340.398 3.308 20 30 EGEDLO N#Cc1ccccc1COc1cccc(C[N@H+]2CCO[C@@H](CF)C2)c1 ZINC000414467771 270047283 /nfs/dbraw/zinc/04/72/83/270047283.db2.gz DRERXRMOJQRDMM-FQEVSTJZSA-N 1 2 340.398 3.308 20 30 EGEDLO Cc1nc(NCC2([NH+]3CCOCC3)CCCCC2)c(Cl)cc1C#N ZINC000461730801 270054845 /nfs/dbraw/zinc/05/48/45/270054845.db2.gz SFHONSVDQNRCIG-UHFFFAOYSA-N 1 2 348.878 3.362 20 30 EGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000488979786 270056368 /nfs/dbraw/zinc/05/63/68/270056368.db2.gz KSACKGIBLQBZDY-INIZCTEOSA-N 1 2 329.350 3.275 20 30 EGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000488979786 270056369 /nfs/dbraw/zinc/05/63/69/270056369.db2.gz KSACKGIBLQBZDY-INIZCTEOSA-N 1 2 329.350 3.275 20 30 EGEDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1cc(C#N)cs1 ZINC000179575980 266107049 /nfs/dbraw/zinc/10/70/49/266107049.db2.gz OSAVYEMXVBKQRP-UHFFFAOYSA-N 1 2 335.379 3.359 20 30 EGEDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1cc(C#N)cs1 ZINC000179575980 266107052 /nfs/dbraw/zinc/10/70/52/266107052.db2.gz OSAVYEMXVBKQRP-UHFFFAOYSA-N 1 2 335.379 3.359 20 30 EGEDLO CCN(CC)c1ccc(CNC(=O)Nc2cccc(C#N)c2C)c[nH+]1 ZINC000178561955 266121424 /nfs/dbraw/zinc/12/14/24/266121424.db2.gz SYOAFDXRQUZMPH-UHFFFAOYSA-N 1 2 337.427 3.430 20 30 EGEDLO CCC[C@](C)(CC)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000474189744 267039388 /nfs/dbraw/zinc/03/93/88/267039388.db2.gz OGVIYQKLXWYQFL-FQEVSTJZSA-N 1 2 327.472 3.419 20 30 EGEDLO CCOC[C@H]1CCCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000459703581 267139621 /nfs/dbraw/zinc/13/96/21/267139621.db2.gz GCZCOQFCXLZFGF-CQSZACIVSA-N 1 2 335.473 3.066 20 30 EGEDLO CCOC[C@H]1CCCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000459703581 267139622 /nfs/dbraw/zinc/13/96/22/267139622.db2.gz GCZCOQFCXLZFGF-CQSZACIVSA-N 1 2 335.473 3.066 20 30 EGEDLO C[C@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)Cc2ccccc2O1 ZINC000292422127 267233642 /nfs/dbraw/zinc/23/36/42/267233642.db2.gz MWEFTGNLQHVPKL-AWEZNQCLSA-N 1 2 346.390 3.391 20 30 EGEDLO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)Cc2ccccc2O1 ZINC000292422127 267233646 /nfs/dbraw/zinc/23/36/46/267233646.db2.gz MWEFTGNLQHVPKL-AWEZNQCLSA-N 1 2 346.390 3.391 20 30 EGEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000454308556 267258158 /nfs/dbraw/zinc/25/81/58/267258158.db2.gz AQQUIKMVJCDEOV-GFCCVEGCSA-N 1 2 328.420 3.214 20 30 EGEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000454724729 267259223 /nfs/dbraw/zinc/25/92/23/267259223.db2.gz UIYVSZYVBIDTFC-JTQLQIEISA-N 1 2 349.341 3.259 20 30 EGEDLO CN(Cc1cccc(C#N)c1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431897670 267318357 /nfs/dbraw/zinc/31/83/57/267318357.db2.gz DXXWDBUWRDGAIY-UHFFFAOYSA-N 1 2 344.418 3.004 20 30 EGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1 ZINC000437669115 267325239 /nfs/dbraw/zinc/32/52/39/267325239.db2.gz RXLLINOKMMHNKE-UHFFFAOYSA-N 1 2 345.406 3.467 20 30 EGEDLO Cc1ccn2cc(CNC(=O)Nc3ccc(C#N)cc3Cl)[nH+]c2c1 ZINC000426139842 268062806 /nfs/dbraw/zinc/06/28/06/268062806.db2.gz PQZFBBWYZVXBIH-UHFFFAOYSA-N 1 2 339.786 3.490 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCCNc1ncc2c(c1C#N)CCC2 ZINC000425199603 268081031 /nfs/dbraw/zinc/08/10/31/268081031.db2.gz IHXVYLGMAVZAOE-UHFFFAOYSA-N 1 2 331.423 3.024 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)ccc1F ZINC000411974578 268180161 /nfs/dbraw/zinc/18/01/61/268180161.db2.gz APEIFWRUGTVUKW-HXUWFJFHSA-N 1 2 336.366 3.307 20 30 EGEDLO N#Cc1cc(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)ccc1F ZINC000411974578 268180162 /nfs/dbraw/zinc/18/01/62/268180162.db2.gz APEIFWRUGTVUKW-HXUWFJFHSA-N 1 2 336.366 3.307 20 30 EGEDLO N#Cc1cc(NC(=O)NCc2[nH]cc[nH+]2)ccc1Oc1ccccc1 ZINC000432616949 268188891 /nfs/dbraw/zinc/18/88/91/268188891.db2.gz NBXPBVIRAWPZHE-UHFFFAOYSA-N 1 2 333.351 3.395 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c(F)c1 ZINC000411976658 268222267 /nfs/dbraw/zinc/22/22/67/268222267.db2.gz DSJXMYGQASRCAM-FQEVSTJZSA-N 1 2 336.366 3.307 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c(F)c1 ZINC000411976658 268222269 /nfs/dbraw/zinc/22/22/69/268222269.db2.gz DSJXMYGQASRCAM-FQEVSTJZSA-N 1 2 336.366 3.307 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c(F)c1 ZINC000411976659 268224003 /nfs/dbraw/zinc/22/40/03/268224003.db2.gz DSJXMYGQASRCAM-HXUWFJFHSA-N 1 2 336.366 3.307 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c(F)c1 ZINC000411976659 268224005 /nfs/dbraw/zinc/22/40/05/268224005.db2.gz DSJXMYGQASRCAM-HXUWFJFHSA-N 1 2 336.366 3.307 20 30 EGEDLO N#Cc1ccc(NC(=O)NCc2ccn3cc[nH+]c3c2)c(Cl)c1 ZINC000426153055 268245677 /nfs/dbraw/zinc/24/56/77/268245677.db2.gz LDQRAZQDRXJOET-UHFFFAOYSA-N 1 2 325.759 3.181 20 30 EGEDLO N#Cc1cccc(/C=C\C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000490857962 268268779 /nfs/dbraw/zinc/26/87/79/268268779.db2.gz WRRKIYMCNSQBAU-ALCCZGGFSA-N 1 2 346.365 3.213 20 30 EGEDLO CCOc1c(Cl)cc(CNc2cc(C)[nH+]cc2C#N)cc1OC ZINC000425211498 269671900 /nfs/dbraw/zinc/67/19/00/269671900.db2.gz XCCGXIIUKPZIGP-UHFFFAOYSA-N 1 2 331.803 3.356 20 30 EGEDLO N#Cc1ccc(NC(=O)c2ccc3[nH+]ccn3c2)cc1C(F)(F)F ZINC000072499126 307379395 /nfs/dbraw/zinc/37/93/95/307379395.db2.gz JVPNRIGSYXHXQK-UHFFFAOYSA-N 1 2 330.269 3.477 20 30 EGEDLO CCc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000511269467 312157828 /nfs/dbraw/zinc/15/78/28/312157828.db2.gz VTNUYKGPBQXYGB-UHFFFAOYSA-N 1 2 348.450 3.470 20 30 EGEDLO CC[C@H](C)[C@H]([NH2+]CCOc1ccccc1C#N)C(=O)OC(C)(C)C ZINC000539493335 314317501 /nfs/dbraw/zinc/31/75/01/314317501.db2.gz MCXTYTYTPAOYRH-YOEHRIQHSA-N 1 2 332.444 3.283 20 30 EGEDLO COc1ccc(C2([NH2+]Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)cc1 ZINC000540360479 314377534 /nfs/dbraw/zinc/37/75/34/314377534.db2.gz RSWJEOZEPQQUPM-UHFFFAOYSA-N 1 2 346.390 3.396 20 30 EGEDLO C=C(C)C[N@H+](CC)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000048617311 454503260 /nfs/dbraw/zinc/50/32/60/454503260.db2.gz CLMYFSUKYWWDHF-UHFFFAOYSA-N 1 2 346.290 3.121 20 30 EGEDLO C=C(C)C[N@@H+](CC)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000048617311 454503265 /nfs/dbraw/zinc/50/32/65/454503265.db2.gz CLMYFSUKYWWDHF-UHFFFAOYSA-N 1 2 346.290 3.121 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000570665855 317089803 /nfs/dbraw/zinc/08/98/03/317089803.db2.gz FEWYVSVSAOYSNK-RTBURBONSA-N 1 2 329.407 3.433 20 30 EGEDLO Cc1cc(Br)cn2c(CN(CCC#N)CCC#N)c[nH+]c12 ZINC000274819409 456265819 /nfs/dbraw/zinc/26/58/19/456265819.db2.gz GQMPZYPGQHEQAB-UHFFFAOYSA-N 1 2 346.232 3.035 20 30 EGEDLO C[C@@H]1C[NH+](CCSc2nc3c(cc2C#N)CCCC3)C[C@@H](C)O1 ZINC000578669393 325002586 /nfs/dbraw/zinc/00/25/86/325002586.db2.gz KNICKRHJORAPLA-ZIAGYGMSSA-N 1 2 331.485 3.033 20 30 EGEDLO Cc1[nH+]c2cc(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)ccc2n1C ZINC000580998517 325319132 /nfs/dbraw/zinc/31/91/32/325319132.db2.gz KNKSSNJVYFTZEU-DLBZAZTESA-N 1 2 330.391 3.496 20 30 EGEDLO Cn1cc[nH+]c1[C@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000582639279 325457138 /nfs/dbraw/zinc/45/71/38/325457138.db2.gz RTUBCLCDONXGDC-QGZVFWFLSA-N 1 2 333.351 3.401 20 30 EGEDLO CC1(C#N)CC[NH+](Cc2ccc(I)s2)CC1 ZINC000602607687 460020393 /nfs/dbraw/zinc/02/03/93/460020393.db2.gz SHYPYQSEIWNDCI-UHFFFAOYSA-N 1 2 346.237 3.478 20 30 EGEDLO N#CC1(C(=O)N2CCc3c([nH+]cn3CCc3ccccc3)C2)CCCC1 ZINC000181131554 455292494 /nfs/dbraw/zinc/29/24/94/455292494.db2.gz HGYRCMKGUDDTMD-UHFFFAOYSA-N 1 2 348.450 3.094 20 30 EGEDLO C[C@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000007922718 453133904 /nfs/dbraw/zinc/13/39/04/453133904.db2.gz DTPFZTMAZHCWOX-XIKOKIGWSA-N 1 2 342.468 3.098 20 30 EGEDLO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000007922718 453133913 /nfs/dbraw/zinc/13/39/13/453133913.db2.gz DTPFZTMAZHCWOX-XIKOKIGWSA-N 1 2 342.468 3.098 20 30 EGEDLO N#Cc1c(C[NH+]2CCN(c3ccccc3F)CC2)cn2ccccc12 ZINC000012989938 453435219 /nfs/dbraw/zinc/43/52/19/453435219.db2.gz FYPHIGWUMGFQEK-UHFFFAOYSA-N 1 2 334.398 3.272 20 30 EGEDLO C=CC[N@@H+](CC(=O)c1[nH]c(C)c(C(=O)OC)c1C)Cc1ccccc1 ZINC000027775985 453820503 /nfs/dbraw/zinc/82/05/03/453820503.db2.gz WDXULKADDYOSOB-UHFFFAOYSA-N 1 2 340.423 3.289 20 30 EGEDLO C=CC[N@H+](CC(=O)c1[nH]c(C)c(C(=O)OC)c1C)Cc1ccccc1 ZINC000027775985 453820504 /nfs/dbraw/zinc/82/05/04/453820504.db2.gz WDXULKADDYOSOB-UHFFFAOYSA-N 1 2 340.423 3.289 20 30 EGEDLO CCc1[nH+]c2ccccc2n1CC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000032616131 453879921 /nfs/dbraw/zinc/87/99/21/453879921.db2.gz AOAZBEOXLSRCNX-UHFFFAOYSA-N 1 2 332.407 3.129 20 30 EGEDLO FC(F)(F)c1ccc(C#CC[NH+]2CCC(c3nc[nH]n3)CC2)cc1 ZINC000083444399 453949021 /nfs/dbraw/zinc/94/90/21/453949021.db2.gz TWFOMHFEDDIOBC-UHFFFAOYSA-N 1 2 334.345 3.055 20 30 EGEDLO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1 ZINC000076152635 453972632 /nfs/dbraw/zinc/97/26/32/453972632.db2.gz XZLQEBVYELUEIF-NZSAHSFTSA-N 1 2 325.456 3.017 20 30 EGEDLO C[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1 ZINC000076152635 453972634 /nfs/dbraw/zinc/97/26/34/453972634.db2.gz XZLQEBVYELUEIF-NZSAHSFTSA-N 1 2 325.456 3.017 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000084290438 453982315 /nfs/dbraw/zinc/98/23/15/453982315.db2.gz SUELMRPSINGFIP-UHFFFAOYSA-N 1 2 335.411 3.412 20 30 EGEDLO C=CC[N@H+](Cc1nc(-c2ccccn2)no1)Cc1cccc(C#N)c1 ZINC000068855452 454060165 /nfs/dbraw/zinc/06/01/65/454060165.db2.gz ILPXCWAHBUOZSE-UHFFFAOYSA-N 1 2 331.379 3.191 20 30 EGEDLO C=CC[N@@H+](Cc1nc(-c2ccccn2)no1)Cc1cccc(C#N)c1 ZINC000068855452 454060166 /nfs/dbraw/zinc/06/01/66/454060166.db2.gz ILPXCWAHBUOZSE-UHFFFAOYSA-N 1 2 331.379 3.191 20 30 EGEDLO N#Cc1cccc(/C=C\C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000056688359 454074716 /nfs/dbraw/zinc/07/47/16/454074716.db2.gz YZCVZXZBFSLZLV-DAXSKMNVSA-N 1 2 336.782 3.189 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438197 454101691 /nfs/dbraw/zinc/10/16/91/454101691.db2.gz YIMCTOOSTGDEJA-LBPRGKRZSA-N 1 2 329.350 3.295 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438197 454101694 /nfs/dbraw/zinc/10/16/94/454101694.db2.gz YIMCTOOSTGDEJA-LBPRGKRZSA-N 1 2 329.350 3.295 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(C#N)CC1 ZINC000057880578 454154457 /nfs/dbraw/zinc/15/44/57/454154457.db2.gz MOQLDECRJQQMLA-NSHDSACASA-N 1 2 336.233 3.012 20 30 EGEDLO N#Cc1cc([N+](=O)[O-])ccc1Nc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000057929627 454157367 /nfs/dbraw/zinc/15/73/67/454157367.db2.gz BMMGMOZJSDQMSI-UHFFFAOYSA-N 1 2 338.367 3.171 20 30 EGEDLO CC[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000130240507 454183249 /nfs/dbraw/zinc/18/32/49/454183249.db2.gz VRKBZMABNRDMJM-MRXNPFEDSA-N 1 2 326.400 3.185 20 30 EGEDLO CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000130240507 454183252 /nfs/dbraw/zinc/18/32/52/454183252.db2.gz VRKBZMABNRDMJM-MRXNPFEDSA-N 1 2 326.400 3.185 20 30 EGEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000045860159 454191264 /nfs/dbraw/zinc/19/12/64/454191264.db2.gz DHXRMFUILHXFIL-CQSZACIVSA-N 1 2 332.363 3.150 20 30 EGEDLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2)c1C ZINC000046528272 454259763 /nfs/dbraw/zinc/25/97/63/454259763.db2.gz VXGLKHFAWOQLQF-CQSZACIVSA-N 1 2 337.423 3.409 20 30 EGEDLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)c1C ZINC000046528272 454259768 /nfs/dbraw/zinc/25/97/68/454259768.db2.gz VXGLKHFAWOQLQF-CQSZACIVSA-N 1 2 337.423 3.409 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000090615824 454328309 /nfs/dbraw/zinc/32/83/09/454328309.db2.gz NLXMANYYRCUFCA-AWEZNQCLSA-N 1 2 345.874 3.429 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000090615824 454328319 /nfs/dbraw/zinc/32/83/19/454328319.db2.gz NLXMANYYRCUFCA-AWEZNQCLSA-N 1 2 345.874 3.429 20 30 EGEDLO CC(C)CC[N@@H+](CCC#N)CCCS(=O)(=O)c1ccc(F)cc1 ZINC000072691468 454328550 /nfs/dbraw/zinc/32/85/50/454328550.db2.gz FTZVCBCUGFVLRI-UHFFFAOYSA-N 1 2 340.464 3.251 20 30 EGEDLO CC(C)CC[N@H+](CCC#N)CCCS(=O)(=O)c1ccc(F)cc1 ZINC000072691468 454328555 /nfs/dbraw/zinc/32/85/55/454328555.db2.gz FTZVCBCUGFVLRI-UHFFFAOYSA-N 1 2 340.464 3.251 20 30 EGEDLO CC(C)[C@@H]1C[N@H+](CC(=O)Nc2ccccc2SCC#N)CCS1 ZINC000072837010 454349354 /nfs/dbraw/zinc/34/93/54/454349354.db2.gz GDIKVTHMYVYQBG-INIZCTEOSA-N 1 2 349.525 3.314 20 30 EGEDLO CC(C)[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2SCC#N)CCS1 ZINC000072837010 454349359 /nfs/dbraw/zinc/34/93/59/454349359.db2.gz GDIKVTHMYVYQBG-INIZCTEOSA-N 1 2 349.525 3.314 20 30 EGEDLO N#Cc1cc([N+](=O)[O-])ccc1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000073138978 454398862 /nfs/dbraw/zinc/39/88/62/454398862.db2.gz XEIAQPUSKQLNJH-UHFFFAOYSA-N 1 2 333.351 3.323 20 30 EGEDLO C=CC[N@@H+](CC(=O)N(CC(C)C)C1CC1)Cc1cccc(C#N)c1 ZINC000063299801 454403811 /nfs/dbraw/zinc/40/38/11/454403811.db2.gz BOTMNIKPFKHVQL-UHFFFAOYSA-N 1 2 325.456 3.193 20 30 EGEDLO C=CC[N@H+](CC(=O)N(CC(C)C)C1CC1)Cc1cccc(C#N)c1 ZINC000063299801 454403814 /nfs/dbraw/zinc/40/38/14/454403814.db2.gz BOTMNIKPFKHVQL-UHFFFAOYSA-N 1 2 325.456 3.193 20 30 EGEDLO CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+](CC)C[C@@H](C)C#N ZINC000098134529 454459895 /nfs/dbraw/zinc/45/98/95/454459895.db2.gz FZYWMAYKBKMQHP-RDJZCZTQSA-N 1 2 331.460 3.134 20 30 EGEDLO CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+](CC)C[C@@H](C)C#N ZINC000098134529 454459902 /nfs/dbraw/zinc/45/99/02/454459902.db2.gz FZYWMAYKBKMQHP-RDJZCZTQSA-N 1 2 331.460 3.134 20 30 EGEDLO N#CCSc1cccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000079804400 454481013 /nfs/dbraw/zinc/48/10/13/454481013.db2.gz YRVLIGRXVVUEHY-AWEZNQCLSA-N 1 2 326.425 3.045 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(OCCCC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000092361418 454555942 /nfs/dbraw/zinc/55/59/42/454555942.db2.gz WNJKDKVVRJXLKH-KRWDZBQOSA-N 1 2 337.485 3.041 20 30 EGEDLO C=CC[N@H+](Cc1ccc(OCCCC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000092361418 454555947 /nfs/dbraw/zinc/55/59/47/454555947.db2.gz WNJKDKVVRJXLKH-KRWDZBQOSA-N 1 2 337.485 3.041 20 30 EGEDLO C=CC[N@H+](Cc1cccc(OC2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361097 454556017 /nfs/dbraw/zinc/55/60/17/454556017.db2.gz GAESFRHMVIMGSP-QGZVFWFLSA-N 1 2 349.496 3.183 20 30 EGEDLO C=CC[N@@H+](Cc1cccc(OC2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361097 454556023 /nfs/dbraw/zinc/55/60/23/454556023.db2.gz GAESFRHMVIMGSP-QGZVFWFLSA-N 1 2 349.496 3.183 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(OC)c2ccccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000092361688 454556218 /nfs/dbraw/zinc/55/62/18/454556218.db2.gz MCKSSXGBHQJESS-MRXNPFEDSA-N 1 2 345.464 3.024 20 30 EGEDLO C=CC[N@H+](Cc1ccc(OC)c2ccccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000092361688 454556221 /nfs/dbraw/zinc/55/62/21/454556221.db2.gz MCKSSXGBHQJESS-MRXNPFEDSA-N 1 2 345.464 3.024 20 30 EGEDLO CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081062946 454679034 /nfs/dbraw/zinc/67/90/34/454679034.db2.gz WUGZVHDBSUUYSQ-UHFFFAOYSA-N 1 2 327.472 3.439 20 30 EGEDLO CC(C)(C)N(Cc1ccccc1)C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081062946 454679038 /nfs/dbraw/zinc/67/90/38/454679038.db2.gz WUGZVHDBSUUYSQ-UHFFFAOYSA-N 1 2 327.472 3.439 20 30 EGEDLO CC[C@@]1(C)C[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000135636932 454695945 /nfs/dbraw/zinc/69/59/45/454695945.db2.gz VKNCDGWSYUAIHZ-FQEVSTJZSA-N 1 2 343.471 3.051 20 30 EGEDLO CC[C@@]1(C)C[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000135636932 454695947 /nfs/dbraw/zinc/69/59/47/454695947.db2.gz VKNCDGWSYUAIHZ-FQEVSTJZSA-N 1 2 343.471 3.051 20 30 EGEDLO Oc1ccccc1N1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000176979231 454807035 /nfs/dbraw/zinc/80/70/35/454807035.db2.gz HYTCUVACIVTWFV-UHFFFAOYSA-N 1 2 326.827 3.219 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c(C#N)c1C ZINC000177021302 454812562 /nfs/dbraw/zinc/81/25/62/454812562.db2.gz WQNRBKQLRNTKHL-UHFFFAOYSA-N 1 2 338.436 3.179 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)c(C#N)c1C ZINC000177021302 454812567 /nfs/dbraw/zinc/81/25/67/454812567.db2.gz WQNRBKQLRNTKHL-UHFFFAOYSA-N 1 2 338.436 3.179 20 30 EGEDLO COCCN(C)c1ccc(/C=C2/CCc3c(O)cccc3C2=O)c[nH+]1 ZINC000191310865 455476286 /nfs/dbraw/zinc/47/62/86/455476286.db2.gz QVDLSXVFYNDUHE-QINSGFPZSA-N 1 2 338.407 3.082 20 30 EGEDLO COCCN(C)c1ccc(/C=C/C(=O)c2ccc(OC)c(F)c2)c[nH+]1 ZINC000191250079 455471577 /nfs/dbraw/zinc/47/15/77/455471577.db2.gz XOBZWCFPURTMRY-QPJJXVBHSA-N 1 2 344.386 3.208 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000112544844 454890336 /nfs/dbraw/zinc/89/03/36/454890336.db2.gz ULNIBNJHEYSYTG-QWHCGFSZSA-N 1 2 335.498 3.459 20 30 EGEDLO CCOCCC1(C[NH2+][C@H](C(=O)OC)c2cccc(C#N)c2)CCCC1 ZINC000151025693 454927239 /nfs/dbraw/zinc/92/72/39/454927239.db2.gz DYLCIYCLUPVYKI-SFHVURJKSA-N 1 2 344.455 3.349 20 30 EGEDLO CCc1[nH+]c2ccccc2n1CC(=O)N(CCC#N)CC(C)(C)C ZINC000170898496 454997165 /nfs/dbraw/zinc/99/71/65/454997165.db2.gz GHYFWRBLBWYTQW-UHFFFAOYSA-N 1 2 326.444 3.387 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117353753 455084555 /nfs/dbraw/zinc/08/45/55/455084555.db2.gz GFPJCLNSHVUOQU-UHFFFAOYSA-N 1 2 346.315 3.228 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117353753 455084560 /nfs/dbraw/zinc/08/45/60/455084560.db2.gz GFPJCLNSHVUOQU-UHFFFAOYSA-N 1 2 346.315 3.228 20 30 EGEDLO N#C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)c(Cl)c1 ZINC000152411638 455115566 /nfs/dbraw/zinc/11/55/66/455115566.db2.gz GWIHPOLIBQURTK-NHYWBVRUSA-N 1 2 349.221 3.133 20 30 EGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000180051229 455123611 /nfs/dbraw/zinc/12/36/11/455123611.db2.gz XCMXFFKDAFVSTP-ZFWWWQNUSA-N 1 2 339.399 3.460 20 30 EGEDLO C=CC[N@@H+](CCn1cnc2ccccc2c1=O)Cc1ccccc1F ZINC000172245112 455138806 /nfs/dbraw/zinc/13/88/06/455138806.db2.gz CAOPCEBKZAXMJR-UHFFFAOYSA-N 1 2 337.398 3.224 20 30 EGEDLO C=CC[N@H+](CCn1cnc2ccccc2c1=O)Cc1ccccc1F ZINC000172245112 455138808 /nfs/dbraw/zinc/13/88/08/455138808.db2.gz CAOPCEBKZAXMJR-UHFFFAOYSA-N 1 2 337.398 3.224 20 30 EGEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CC(F)F)sc2C1 ZINC000156660017 455142252 /nfs/dbraw/zinc/14/22/52/455142252.db2.gz AOBVNPGAZVCTAL-JTQLQIEISA-N 1 2 341.427 3.270 20 30 EGEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)CC(F)F)sc2C1 ZINC000156660017 455142255 /nfs/dbraw/zinc/14/22/55/455142255.db2.gz AOBVNPGAZVCTAL-JTQLQIEISA-N 1 2 341.427 3.270 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCSC[C@H]1C ZINC000172587579 455163090 /nfs/dbraw/zinc/16/30/90/455163090.db2.gz PNEAGJIJFAPVCR-KGLIPLIRSA-N 1 2 349.525 3.457 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCSC[C@H]1C ZINC000172587579 455163092 /nfs/dbraw/zinc/16/30/92/455163092.db2.gz PNEAGJIJFAPVCR-KGLIPLIRSA-N 1 2 349.525 3.457 20 30 EGEDLO O[C@H](C[C@H]1COCC[N@@H+]1CC#Cc1ccc(F)cc1)c1ccccc1 ZINC000157069860 455163507 /nfs/dbraw/zinc/16/35/07/455163507.db2.gz KOEXDECSLAJORU-LEWJYISDSA-N 1 2 339.410 3.002 20 30 EGEDLO O[C@H](C[C@H]1COCC[N@H+]1CC#Cc1ccc(F)cc1)c1ccccc1 ZINC000157069860 455163509 /nfs/dbraw/zinc/16/35/09/455163509.db2.gz KOEXDECSLAJORU-LEWJYISDSA-N 1 2 339.410 3.002 20 30 EGEDLO N#Cc1c(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)nc2ccccn21 ZINC000263969591 455174451 /nfs/dbraw/zinc/17/44/51/455174451.db2.gz LRESAHVNSOYZHG-UHFFFAOYSA-N 1 2 342.406 3.466 20 30 EGEDLO C=CCCC[C@H](C)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000180540367 455192162 /nfs/dbraw/zinc/19/21/62/455192162.db2.gz SYFFATJBVDXMMK-INIZCTEOSA-N 1 2 326.444 3.475 20 30 EGEDLO C[C@@H](c1cccc(NC(=O)C2(C#N)CCCC2)c1)[NH+]1CCOCC1 ZINC000264154386 455193177 /nfs/dbraw/zinc/19/31/77/455193177.db2.gz AOAUPGNGTNLORK-HNNXBMFYSA-N 1 2 327.428 3.102 20 30 EGEDLO C[C@@H](C#N)C[N@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000264762612 455278378 /nfs/dbraw/zinc/27/83/78/455278378.db2.gz ZGHNAJCWWGQUPQ-NEPJUHHUSA-N 1 2 343.500 3.032 20 30 EGEDLO C[C@@H](C#N)C[N@@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000264762612 455278384 /nfs/dbraw/zinc/27/83/84/455278384.db2.gz ZGHNAJCWWGQUPQ-NEPJUHHUSA-N 1 2 343.500 3.032 20 30 EGEDLO C[C@H](C#N)C[N@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000264762615 455278437 /nfs/dbraw/zinc/27/84/37/455278437.db2.gz ZGHNAJCWWGQUPQ-NWDGAFQWSA-N 1 2 343.500 3.032 20 30 EGEDLO C[C@H](C#N)C[N@@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000264762615 455278441 /nfs/dbraw/zinc/27/84/41/455278441.db2.gz ZGHNAJCWWGQUPQ-NWDGAFQWSA-N 1 2 343.500 3.032 20 30 EGEDLO COc1ccccc1-c1nnc(C[N@H+](C)Cc2cccc(C#N)c2)o1 ZINC000159064365 455348634 /nfs/dbraw/zinc/34/86/34/455348634.db2.gz LQPBAGLTPJANGF-UHFFFAOYSA-N 1 2 334.379 3.249 20 30 EGEDLO COc1ccccc1-c1nnc(C[N@@H+](C)Cc2cccc(C#N)c2)o1 ZINC000159064365 455348638 /nfs/dbraw/zinc/34/86/38/455348638.db2.gz LQPBAGLTPJANGF-UHFFFAOYSA-N 1 2 334.379 3.249 20 30 EGEDLO N#CCC[N@@H+](Cc1cccc(C(=O)N2CCCCC2)c1)CC1CC1 ZINC000174696050 455412190 /nfs/dbraw/zinc/41/21/90/455412190.db2.gz CJOKSKPNTROWLQ-UHFFFAOYSA-N 1 2 325.456 3.438 20 30 EGEDLO N#CCC[N@H+](Cc1cccc(C(=O)N2CCCCC2)c1)CC1CC1 ZINC000174696050 455412195 /nfs/dbraw/zinc/41/21/95/455412195.db2.gz CJOKSKPNTROWLQ-UHFFFAOYSA-N 1 2 325.456 3.438 20 30 EGEDLO C=CC[N@@H+](CCOC)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000191762791 455517393 /nfs/dbraw/zinc/51/73/93/455517393.db2.gz PSGDTAWVHMFOMW-UHFFFAOYSA-N 1 2 332.425 3.173 20 30 EGEDLO C=CC[N@H+](CCOC)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000191762791 455517396 /nfs/dbraw/zinc/51/73/96/455517396.db2.gz PSGDTAWVHMFOMW-UHFFFAOYSA-N 1 2 332.425 3.173 20 30 EGEDLO N#Cc1ccc(NC[C@@H](c2cccc(Cl)c2)[NH+]2CCOCC2)cn1 ZINC000267371814 455548872 /nfs/dbraw/zinc/54/88/72/455548872.db2.gz JYMGDVZSSFZJLG-SFHVURJKSA-N 1 2 342.830 3.092 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(c2ncccc2Cl)CC1 ZINC000182737942 455578916 /nfs/dbraw/zinc/57/89/16/455578916.db2.gz XXHSRSRNBNARFC-CQSZACIVSA-N 1 2 326.831 3.490 20 30 EGEDLO N#CCC[C@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1ccccc1 ZINC000277673916 455631068 /nfs/dbraw/zinc/63/10/68/455631068.db2.gz DTVDBOXGIXXZPW-INIZCTEOSA-N 1 2 339.468 3.487 20 30 EGEDLO N#CCC[C@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1ccccc1 ZINC000277673916 455631071 /nfs/dbraw/zinc/63/10/71/455631071.db2.gz DTVDBOXGIXXZPW-INIZCTEOSA-N 1 2 339.468 3.487 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000192558507 455640922 /nfs/dbraw/zinc/64/09/22/455640922.db2.gz DPLURENOZRCELU-UHFFFAOYSA-N 1 2 337.398 3.045 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000192558507 455640928 /nfs/dbraw/zinc/64/09/28/455640928.db2.gz DPLURENOZRCELU-UHFFFAOYSA-N 1 2 337.398 3.045 20 30 EGEDLO CCCCCC(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000268293842 455642414 /nfs/dbraw/zinc/64/24/14/455642414.db2.gz KFVHHFHWPIBNSV-UHFFFAOYSA-N 1 2 331.435 3.358 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H]1CCCS(=O)(=O)C1 ZINC000284217556 455652955 /nfs/dbraw/zinc/65/29/55/455652955.db2.gz UEWOASIRIJXWDO-GFCCVEGCSA-N 1 2 333.906 3.214 20 30 EGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H]1CCCS(=O)(=O)C1 ZINC000284217556 455652959 /nfs/dbraw/zinc/65/29/59/455652959.db2.gz UEWOASIRIJXWDO-GFCCVEGCSA-N 1 2 333.906 3.214 20 30 EGEDLO C=CCC[C@@H]([NH2+]Cc1noc(CCCC(=O)OC)n1)c1ccccc1 ZINC000271725665 455735666 /nfs/dbraw/zinc/73/56/66/455735666.db2.gz MLOKHUHWGMIREY-MRXNPFEDSA-N 1 2 343.427 3.362 20 30 EGEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cccc3nsnc32)CC1 ZINC000268956187 455744245 /nfs/dbraw/zinc/74/42/45/455744245.db2.gz UZGMEZQDLHSRDY-GOSISDBHSA-N 1 2 349.463 3.074 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@H](COC)C2)cc1Cl ZINC000249244781 455747108 /nfs/dbraw/zinc/74/71/08/455747108.db2.gz XASMLNNEQCLRCO-ZFWWWQNUSA-N 1 2 325.836 3.141 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2C[C@H](C)O[C@H](COC)C2)cc1Cl ZINC000249244781 455747109 /nfs/dbraw/zinc/74/71/09/455747109.db2.gz XASMLNNEQCLRCO-ZFWWWQNUSA-N 1 2 325.836 3.141 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000249707916 455769470 /nfs/dbraw/zinc/76/94/70/455769470.db2.gz BVHRDAKNICTGOU-MAUKXSAKSA-N 1 2 348.874 3.302 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000249707916 455769473 /nfs/dbraw/zinc/76/94/73/455769473.db2.gz BVHRDAKNICTGOU-MAUKXSAKSA-N 1 2 348.874 3.302 20 30 EGEDLO C=C(C)[C@H](CC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1)OCC ZINC000294190880 455807879 /nfs/dbraw/zinc/80/78/79/455807879.db2.gz OENRLMXUVSOVBZ-WMZOPIPTSA-N 1 2 327.428 3.329 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000294447223 455816185 /nfs/dbraw/zinc/81/61/85/455816185.db2.gz KZQJSLUDBIHLSX-HXUWFJFHSA-N 1 2 336.439 3.325 20 30 EGEDLO N#CCC[N@@H+](Cc1c(Cl)cccc1N1CCOCC1)CC1CC1 ZINC000295015872 455835532 /nfs/dbraw/zinc/83/55/32/455835532.db2.gz ZQCBAFYQMBYDLX-UHFFFAOYSA-N 1 2 333.863 3.302 20 30 EGEDLO N#CCC[N@H+](Cc1c(Cl)cccc1N1CCOCC1)CC1CC1 ZINC000295015872 455835536 /nfs/dbraw/zinc/83/55/36/455835536.db2.gz ZQCBAFYQMBYDLX-UHFFFAOYSA-N 1 2 333.863 3.302 20 30 EGEDLO C=C[C@@](C)(O)CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000279137584 455858800 /nfs/dbraw/zinc/85/88/00/455858800.db2.gz CQHFZJKZFBYTOZ-LJQANCHMSA-N 1 2 325.412 3.152 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(OC)c(COCC)c2)n1 ZINC000279362604 455863121 /nfs/dbraw/zinc/86/31/21/455863121.db2.gz HNVXLSCLLIGFBW-UHFFFAOYSA-N 1 2 341.455 3.084 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(OC)c(COCC)c2)n1 ZINC000279362604 455863124 /nfs/dbraw/zinc/86/31/24/455863124.db2.gz HNVXLSCLLIGFBW-UHFFFAOYSA-N 1 2 341.455 3.084 20 30 EGEDLO CC(C)n1nccc1C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000279576908 455868316 /nfs/dbraw/zinc/86/83/16/455868316.db2.gz GLMZZDDCISROTN-UHFFFAOYSA-N 1 2 337.471 3.044 20 30 EGEDLO CC(C)n1nccc1C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000279576908 455868321 /nfs/dbraw/zinc/86/83/21/455868321.db2.gz GLMZZDDCISROTN-UHFFFAOYSA-N 1 2 337.471 3.044 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)Nc2ccc(Cl)cc2)n1 ZINC000279662489 455869968 /nfs/dbraw/zinc/86/99/68/455869968.db2.gz CZYAKNNZCRIFNL-CQSZACIVSA-N 1 2 344.846 3.019 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)Nc2ccc(Cl)cc2)n1 ZINC000279662489 455869973 /nfs/dbraw/zinc/86/99/73/455869973.db2.gz CZYAKNNZCRIFNL-CQSZACIVSA-N 1 2 344.846 3.019 20 30 EGEDLO C=C(C)[C@@H](CC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C)OCC ZINC000270073211 455872335 /nfs/dbraw/zinc/87/23/35/455872335.db2.gz SIBTUBLAWHBIBU-JKSUJKDBSA-N 1 2 340.414 3.055 20 30 EGEDLO Cc1nc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cs1 ZINC000272276146 455899381 /nfs/dbraw/zinc/89/93/81/455899381.db2.gz ZCBQKWKQKANYTC-WBMJQRKESA-N 1 2 340.452 3.169 20 30 EGEDLO C=C1CC[NH+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC1 ZINC000272294693 455904975 /nfs/dbraw/zinc/90/49/75/455904975.db2.gz OSMRRQKFXFCQAT-UHFFFAOYSA-N 1 2 342.342 3.399 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000195065896 455919193 /nfs/dbraw/zinc/91/91/93/455919193.db2.gz WBIYRXQKPKXBRX-WBVHZDCISA-N 1 2 341.480 3.411 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1ccc(F)c(C#N)c1 ZINC000285888621 455936232 /nfs/dbraw/zinc/93/62/32/455936232.db2.gz IXSMBQHIBJKIFQ-INIZCTEOSA-N 1 2 326.375 3.281 20 30 EGEDLO CCOc1cc2c(cc1[NH2+]CCCC1(C#N)CCOCC1)OCCO2 ZINC000280917605 456081703 /nfs/dbraw/zinc/08/17/03/456081703.db2.gz CWWOIAFWVWLMFE-UHFFFAOYSA-N 1 2 346.427 3.369 20 30 EGEDLO C#Cc1ccccc1CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000289488573 456127493 /nfs/dbraw/zinc/12/74/93/456127493.db2.gz YTCGDCMFDAXMPC-UHFFFAOYSA-N 1 2 339.464 3.292 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000333025403 456148544 /nfs/dbraw/zinc/14/85/44/456148544.db2.gz HTQYEVUGPNYLMU-JKSUJKDBSA-N 1 2 341.455 3.001 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000333025403 456148550 /nfs/dbraw/zinc/14/85/50/456148550.db2.gz HTQYEVUGPNYLMU-JKSUJKDBSA-N 1 2 341.455 3.001 20 30 EGEDLO C[NH+](C)[C@@H](CNC(=O)c1cccc(F)c1C#N)c1c(F)cccc1F ZINC000189180098 456247888 /nfs/dbraw/zinc/24/78/88/456247888.db2.gz YPCBASPSEZSJQZ-INIZCTEOSA-N 1 2 347.340 3.008 20 30 EGEDLO CC#CCCCC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000274291561 456255220 /nfs/dbraw/zinc/25/52/20/456255220.db2.gz ONTRJFZUCWRSSR-KRWDZBQOSA-N 1 2 329.831 3.473 20 30 EGEDLO CCCCCCCS(=O)(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000281677898 456291166 /nfs/dbraw/zinc/29/11/66/456291166.db2.gz DYWWXEUYMKXQSW-UHFFFAOYSA-N 1 2 349.500 3.321 20 30 EGEDLO CC(C)(C)C1=CC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000340189965 456302924 /nfs/dbraw/zinc/30/29/24/456302924.db2.gz BCQDNUCYIAWSPO-HNNXBMFYSA-N 1 2 329.469 3.403 20 30 EGEDLO CC(C)(C)C1=CC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000340189965 456302927 /nfs/dbraw/zinc/30/29/27/456302927.db2.gz BCQDNUCYIAWSPO-HNNXBMFYSA-N 1 2 329.469 3.403 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000352793005 456313429 /nfs/dbraw/zinc/31/34/29/456313429.db2.gz OKWAGNUSAGDFLF-BRWVUGGUSA-N 1 2 348.487 3.328 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000352793005 456313430 /nfs/dbraw/zinc/31/34/30/456313430.db2.gz OKWAGNUSAGDFLF-BRWVUGGUSA-N 1 2 348.487 3.328 20 30 EGEDLO COc1cc(CNc2ccc([NH+]3CCC(O)CC3)cc2)ccc1C#N ZINC000281819527 456331193 /nfs/dbraw/zinc/33/11/93/456331193.db2.gz WSMTUCCKPKXNBQ-UHFFFAOYSA-N 1 2 337.423 3.140 20 30 EGEDLO C=CCN1CC[C@@H]([NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)C1=O ZINC000281876053 456346462 /nfs/dbraw/zinc/34/64/62/456346462.db2.gz COVYQVLVLHJGIN-QZTJIDSGSA-N 1 2 341.842 3.201 20 30 EGEDLO CC(=O)NCC[N@H+](CCCC#N)Cc1ccc(Cl)cc1Cl ZINC000337503745 456357755 /nfs/dbraw/zinc/35/77/55/456357755.db2.gz DDPGKHSTHLXQMG-UHFFFAOYSA-N 1 2 328.243 3.235 20 30 EGEDLO CC(=O)NCC[N@@H+](CCCC#N)Cc1ccc(Cl)cc1Cl ZINC000337503745 456357763 /nfs/dbraw/zinc/35/77/63/456357763.db2.gz DDPGKHSTHLXQMG-UHFFFAOYSA-N 1 2 328.243 3.235 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[N@H+](CCCCC#N)[C@@H](c2cccnc2)C1 ZINC000282069509 456404484 /nfs/dbraw/zinc/40/44/84/456404484.db2.gz NDAOXFZFHYCATL-QGZVFWFLSA-N 1 2 344.459 3.369 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[N@@H+](CCCCC#N)[C@@H](c2cccnc2)C1 ZINC000282069509 456404490 /nfs/dbraw/zinc/40/44/90/456404490.db2.gz NDAOXFZFHYCATL-QGZVFWFLSA-N 1 2 344.459 3.369 20 30 EGEDLO CC[C@H](C#N)Oc1cccc(CNc2cc(N3CCCC3)nc[nH+]2)c1 ZINC000302920725 456436672 /nfs/dbraw/zinc/43/66/72/456436672.db2.gz ZMUVNHYQEDGUGK-MRXNPFEDSA-N 1 2 337.427 3.370 20 30 EGEDLO CC[C@H](C#N)Oc1cccc(CNc2cc(N3CCCC3)[nH+]cn2)c1 ZINC000302920725 456436678 /nfs/dbraw/zinc/43/66/78/456436678.db2.gz ZMUVNHYQEDGUGK-MRXNPFEDSA-N 1 2 337.427 3.370 20 30 EGEDLO C=CCOCCC[NH2+][C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000348048010 456444614 /nfs/dbraw/zinc/44/46/14/456444614.db2.gz GXHNGUWOGSKCQI-CQSZACIVSA-N 1 2 340.349 3.095 20 30 EGEDLO CO[C@@H](CO[NH+]=C(N)Cc1csc(C)n1)c1ccc(Cl)cc1 ZINC000282230432 456450004 /nfs/dbraw/zinc/45/00/04/456450004.db2.gz LBNRRFJEOALNQZ-AWEZNQCLSA-N 1 2 339.848 3.324 20 30 EGEDLO N#Cc1cc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)ccc1F ZINC000343170652 456451716 /nfs/dbraw/zinc/45/17/16/456451716.db2.gz MUBIRIHRFUSWIB-UHFFFAOYSA-N 1 2 344.415 3.109 20 30 EGEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000343265655 456494400 /nfs/dbraw/zinc/49/44/00/456494400.db2.gz DMMSUFYNVHWMRN-OAHLLOKOSA-N 1 2 346.390 3.366 20 30 EGEDLO COc1cc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000282407097 456504232 /nfs/dbraw/zinc/50/42/32/456504232.db2.gz SAIZOVUYDZHQBK-LJQANCHMSA-N 1 2 326.371 3.279 20 30 EGEDLO COc1cc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000282407097 456504238 /nfs/dbraw/zinc/50/42/38/456504238.db2.gz SAIZOVUYDZHQBK-LJQANCHMSA-N 1 2 326.371 3.279 20 30 EGEDLO C=CCC[C@H](O)C[N@@H+]1CCO[C@H](c2ccccc2Br)C1 ZINC000305080089 456523920 /nfs/dbraw/zinc/52/39/20/456523920.db2.gz MDVONXUUPICETJ-BBRMVZONSA-N 1 2 340.261 3.150 20 30 EGEDLO C=CCC[C@H](O)C[N@H+]1CCO[C@H](c2ccccc2Br)C1 ZINC000305080089 456523926 /nfs/dbraw/zinc/52/39/26/456523926.db2.gz MDVONXUUPICETJ-BBRMVZONSA-N 1 2 340.261 3.150 20 30 EGEDLO CC(C)[N@H+](CC(=O)N1CCCCCC1)Cc1ccc(F)cc1C#N ZINC000353220479 456569131 /nfs/dbraw/zinc/56/91/31/456569131.db2.gz PEBKDQMRGUGMCR-UHFFFAOYSA-N 1 2 331.435 3.310 20 30 EGEDLO CC(C)[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc(F)cc1C#N ZINC000353220479 456569135 /nfs/dbraw/zinc/56/91/35/456569135.db2.gz PEBKDQMRGUGMCR-UHFFFAOYSA-N 1 2 331.435 3.310 20 30 EGEDLO N#Cc1ccccc1C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000348341019 456636121 /nfs/dbraw/zinc/63/61/21/456636121.db2.gz CUJVXNYEBGMLCG-MRXNPFEDSA-N 1 2 331.213 3.144 20 30 EGEDLO C=CCCCCCCCCNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000299348586 456663849 /nfs/dbraw/zinc/66/38/49/456663849.db2.gz PCZHVYWQVQPSMR-UHFFFAOYSA-N 1 2 342.443 3.306 20 30 EGEDLO Cc1nn(C)c(N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)c1C#N ZINC000348434775 456685968 /nfs/dbraw/zinc/68/59/68/456685968.db2.gz JHXCCNCMSPYVNA-CQSZACIVSA-N 1 2 343.862 3.137 20 30 EGEDLO Cc1c(Cl)cnc(NCCc2[nH]c3ccc(F)cc3[nH+]2)c1C#N ZINC000343536908 456692884 /nfs/dbraw/zinc/69/28/84/456692884.db2.gz TYVCXXVUQKOTGS-UHFFFAOYSA-N 1 2 329.766 3.007 20 30 EGEDLO C=CC[N@H+](Cc1nc2ccc(OC)nc2[nH]1)Cc1ccc(OC)cc1 ZINC000353472106 456700783 /nfs/dbraw/zinc/70/07/83/456700783.db2.gz AZQJIJRMLFSDLP-UHFFFAOYSA-N 1 2 338.411 3.163 20 30 EGEDLO C=CC[N@@H+](Cc1nc2ccc(OC)nc2[nH]1)Cc1ccc(OC)cc1 ZINC000353472106 456700789 /nfs/dbraw/zinc/70/07/89/456700789.db2.gz AZQJIJRMLFSDLP-UHFFFAOYSA-N 1 2 338.411 3.163 20 30 EGEDLO O=C(Nc1cccc(O)c1F)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000328587203 456714750 /nfs/dbraw/zinc/71/47/50/456714750.db2.gz HIVBJFGQGVJKTI-GOSISDBHSA-N 1 2 344.386 3.317 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)[C@@H](C)c1ccccn1)CCC2 ZINC000328648903 456726738 /nfs/dbraw/zinc/72/67/38/456726738.db2.gz IIVQOKYUBWDHJH-GJZGRUSLSA-N 1 2 327.432 3.071 20 30 EGEDLO CC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000328827042 456770106 /nfs/dbraw/zinc/77/01/06/456770106.db2.gz IGTYZIBBGHHNRA-QGZVFWFLSA-N 1 2 340.427 3.440 20 30 EGEDLO C[C@H](NC(=O)Nc1cccc2ccsc21)[C@H](C)[NH+]1CCOCC1 ZINC000328837271 456772684 /nfs/dbraw/zinc/77/26/84/456772684.db2.gz SXFXRNFQTBVSAQ-STQMWFEESA-N 1 2 333.457 3.336 20 30 EGEDLO C=CCn1c(SCc2c[nH+]ccc2OC)nnc1-c1cccnc1 ZINC000343846592 456776766 /nfs/dbraw/zinc/77/67/66/456776766.db2.gz VPIKBULDJHXARF-UHFFFAOYSA-N 1 2 339.424 3.222 20 30 EGEDLO O=C(NC1C2CC3CC(C2)CC1C3)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000328888338 456784726 /nfs/dbraw/zinc/78/47/26/456784726.db2.gz QBDOVLKFMXSLJW-GSVLIZDISA-N 1 2 328.460 3.328 20 30 EGEDLO C=C(C)Cn1c([C@@H](C)CC)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000283501791 456792757 /nfs/dbraw/zinc/79/27/57/456792757.db2.gz DRPJSMAELRWJIF-INIZCTEOSA-N 1 2 343.475 3.283 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCC2C3CC4CC(C3)CC2C4)C1 ZINC000328946416 456797902 /nfs/dbraw/zinc/79/79/02/456797902.db2.gz VJJROZHBLIKZEG-NGBNYADNSA-N 1 2 342.487 3.196 20 30 EGEDLO CC(C)[C@H](C(=O)Nc1ccc2[nH]cnc2c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000329057951 456824277 /nfs/dbraw/zinc/82/42/77/456824277.db2.gz ISEPTHIUWWOZAR-IIYDPXPESA-N 1 2 330.432 3.285 20 30 EGEDLO CC(C)[C@H](C(=O)Nc1ccc2[nH]cnc2c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000329057951 456824286 /nfs/dbraw/zinc/82/42/86/456824286.db2.gz ISEPTHIUWWOZAR-IIYDPXPESA-N 1 2 330.432 3.285 20 30 EGEDLO CC(C)[C@H](C(=O)Nc1ccc2nc[nH]c2c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000329057951 456824294 /nfs/dbraw/zinc/82/42/94/456824294.db2.gz ISEPTHIUWWOZAR-IIYDPXPESA-N 1 2 330.432 3.285 20 30 EGEDLO CC(C)[C@H](C(=O)Nc1ccc2nc[nH]c2c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000329057951 456824301 /nfs/dbraw/zinc/82/43/01/456824301.db2.gz ISEPTHIUWWOZAR-IIYDPXPESA-N 1 2 330.432 3.285 20 30 EGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H]1CCO[C@H](C(C)C)C1)C2 ZINC000329092474 456832497 /nfs/dbraw/zinc/83/24/97/456832497.db2.gz AQVQBJVIGOPAMO-PBHICJAKSA-N 1 2 348.491 3.019 20 30 EGEDLO O=C(Nc1nc(C2CCOCC2)cs1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000329172991 456847968 /nfs/dbraw/zinc/84/79/68/456847968.db2.gz AKTOXYFXBUGYIT-GFCCVEGCSA-N 1 2 332.429 3.084 20 30 EGEDLO O=C(NCCc1ncc[nH]1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329361035 456878733 /nfs/dbraw/zinc/87/87/33/456878733.db2.gz IIEHAEPADFQUHB-OAHLLOKOSA-N 1 2 341.459 3.416 20 30 EGEDLO Cc1ccc([C@@H]2CCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)C2)c(C)c1 ZINC000329959014 456967104 /nfs/dbraw/zinc/96/71/04/456967104.db2.gz QXTSTWZRSMHXBC-IAGOWNOFSA-N 1 2 338.455 3.218 20 30 EGEDLO Cc1cc(C)c(CCNC(=O)C[N@@H+]2CCCNC(=O)[C@@H]2C)c(C)c1 ZINC000329962123 456967361 /nfs/dbraw/zinc/96/73/61/456967361.db2.gz SOGXFAHKODHYDK-INIZCTEOSA-N 1 2 331.460 3.162 20 30 EGEDLO Cc1cc(C)c(CCNC(=O)C[N@H+]2CCCNC(=O)[C@@H]2C)c(C)c1 ZINC000329962123 456967365 /nfs/dbraw/zinc/96/73/65/456967365.db2.gz SOGXFAHKODHYDK-INIZCTEOSA-N 1 2 331.460 3.162 20 30 EGEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)C[C@@H]1C=CCCC1 ZINC000329994969 456971448 /nfs/dbraw/zinc/97/14/48/456971448.db2.gz ZSYQTIAQPPEMFL-PMPSAXMXSA-N 1 2 334.439 3.035 20 30 EGEDLO CCN1CCN(C(=O)Nc2cc(Cl)ccc2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000330059236 456979929 /nfs/dbraw/zinc/97/99/29/456979929.db2.gz KPVIOCVAPABDDU-HNNXBMFYSA-N 1 2 347.850 3.296 20 30 EGEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1 ZINC000330075862 456981154 /nfs/dbraw/zinc/98/11/54/456981154.db2.gz DJXJYVVHIWQCGL-LJQANCHMSA-N 1 2 340.427 3.117 20 30 EGEDLO CCC[C@H](NC(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCOC2)C1)c1ccccc1 ZINC000330101622 456984623 /nfs/dbraw/zinc/98/46/23/456984623.db2.gz FJHITTSOWOEFNM-XKGZKEIXSA-N 1 2 346.471 3.364 20 30 EGEDLO CCC[C@H](NC(=O)C[N@H+]1C[C@H](C)O[C@]2(CCOC2)C1)c1ccccc1 ZINC000330101622 456984626 /nfs/dbraw/zinc/98/46/26/456984626.db2.gz FJHITTSOWOEFNM-XKGZKEIXSA-N 1 2 346.471 3.364 20 30 EGEDLO Cc1[nH]nc(-c2ccccc2)c1NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000330097172 456984767 /nfs/dbraw/zinc/98/47/67/456984767.db2.gz AKPBIKYEVAFWCB-CYBMUJFWSA-N 1 2 330.457 3.410 20 30 EGEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000356473467 457007826 /nfs/dbraw/zinc/00/78/26/457007826.db2.gz KDAVHEJFWBVZCB-NWDGAFQWSA-N 1 2 325.359 3.097 20 30 EGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000356473467 457007833 /nfs/dbraw/zinc/00/78/33/457007833.db2.gz KDAVHEJFWBVZCB-NWDGAFQWSA-N 1 2 325.359 3.097 20 30 EGEDLO C[C@@H]1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC12CCCCC2 ZINC000330267199 457017552 /nfs/dbraw/zinc/01/75/52/457017552.db2.gz IAFXKDMKJPMCKP-CVEARBPZSA-N 1 2 330.476 3.404 20 30 EGEDLO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nnc(C(C)C)[nH]3)C2)nc1 ZINC000330317913 457026113 /nfs/dbraw/zinc/02/61/13/457026113.db2.gz QPNYBJOBLCXFFC-AWEZNQCLSA-N 1 2 342.447 3.132 20 30 EGEDLO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3nnc(C(C)C)[nH]3)C2)nc1 ZINC000330317913 457026118 /nfs/dbraw/zinc/02/61/18/457026118.db2.gz QPNYBJOBLCXFFC-AWEZNQCLSA-N 1 2 342.447 3.132 20 30 EGEDLO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330326325 457027647 /nfs/dbraw/zinc/02/76/47/457027647.db2.gz JZTBOKIZWYKFRX-AIANPOQGSA-N 1 2 348.491 3.359 20 30 EGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NC2CCC(C)(C)CC2)CCO1 ZINC000330324087 457027732 /nfs/dbraw/zinc/02/77/32/457027732.db2.gz ICXBKKUFTFVEFN-ZBFHGGJFSA-N 1 2 334.464 3.113 20 30 EGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@H]2CCc3ccccc32)CCO1 ZINC000330329571 457029222 /nfs/dbraw/zinc/02/92/22/457029222.db2.gz MQFTXDKWXSKSFL-KYJSFNMBSA-N 1 2 325.412 3.327 20 30 EGEDLO C=CCN(Cc1ccccc1F)C(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000339266713 457029365 /nfs/dbraw/zinc/02/93/65/457029365.db2.gz YUMCCOOBNYWUER-MJGOQNOKSA-N 1 2 348.462 3.230 20 30 EGEDLO C=CCN(Cc1ccccc1F)C(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000339266713 457029371 /nfs/dbraw/zinc/02/93/71/457029371.db2.gz YUMCCOOBNYWUER-MJGOQNOKSA-N 1 2 348.462 3.230 20 30 EGEDLO CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330332727 457029677 /nfs/dbraw/zinc/02/96/77/457029677.db2.gz PEOOOVMXEYLGRX-AIANPOQGSA-N 1 2 334.464 3.113 20 30 EGEDLO Cc1ccc(NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)c(F)c1 ZINC000330350009 457032961 /nfs/dbraw/zinc/03/29/61/457032961.db2.gz KOVAHBKHVLRSPO-WBMJQRKESA-N 1 2 332.379 3.114 20 30 EGEDLO CC(=O)c1c(C)[nH]c(C(=O)NCC[N@@H+]2CCOCC2(C)C)c1C(C)C ZINC000330393950 457038080 /nfs/dbraw/zinc/03/80/80/457038080.db2.gz LBDRHJIHMNFXKC-UHFFFAOYSA-N 1 2 349.475 3.065 20 30 EGEDLO CC(=O)c1c(C)[nH]c(C(=O)NCC[N@H+]2CCOCC2(C)C)c1C(C)C ZINC000330393950 457038088 /nfs/dbraw/zinc/03/80/88/457038088.db2.gz LBDRHJIHMNFXKC-UHFFFAOYSA-N 1 2 349.475 3.065 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000341982343 457039599 /nfs/dbraw/zinc/03/95/99/457039599.db2.gz RODSSJANEHRTPP-UHFFFAOYSA-N 1 2 329.375 3.233 20 30 EGEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(CC(F)(F)F)CC2)c1 ZINC000341987034 457042720 /nfs/dbraw/zinc/04/27/20/457042720.db2.gz ILOPXPBJYULHPG-UHFFFAOYSA-N 1 2 325.334 3.161 20 30 EGEDLO C=CC[C@@H](CC)NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000346423017 457042889 /nfs/dbraw/zinc/04/28/89/457042889.db2.gz YODCPZMHMIZQAG-MOPGFXCFSA-N 1 2 345.487 3.022 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2nnc(-c3ccccc3Cl)o2)CC1 ZINC000341988550 457044306 /nfs/dbraw/zinc/04/43/06/457044306.db2.gz IUCGPYIBABWESA-UHFFFAOYSA-N 1 2 346.818 3.142 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2csc(-c3ccc(C)o3)n2)CC1 ZINC000341993222 457048763 /nfs/dbraw/zinc/04/87/63/457048763.db2.gz PDYWGYGMBVBTHP-UHFFFAOYSA-N 1 2 331.441 3.464 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2cc(F)ccc2Br)CC1 ZINC000342002871 457053754 /nfs/dbraw/zinc/05/37/54/457053754.db2.gz XWJCMUXQAURICD-UHFFFAOYSA-N 1 2 341.224 3.340 20 30 EGEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000330578514 457057904 /nfs/dbraw/zinc/05/79/04/457057904.db2.gz HSOMHAYJMFVFIH-QZTJIDSGSA-N 1 2 343.471 3.049 20 30 EGEDLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000330578514 457057908 /nfs/dbraw/zinc/05/79/08/457057908.db2.gz HSOMHAYJMFVFIH-QZTJIDSGSA-N 1 2 343.471 3.049 20 30 EGEDLO CC(C)[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccccc1F ZINC000346601702 457071016 /nfs/dbraw/zinc/07/10/16/457071016.db2.gz JHTOLXWIAKQGEL-UHFFFAOYSA-N 1 2 339.414 3.224 20 30 EGEDLO CC(C)[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccccc1F ZINC000346601702 457071022 /nfs/dbraw/zinc/07/10/22/457071022.db2.gz JHTOLXWIAKQGEL-UHFFFAOYSA-N 1 2 339.414 3.224 20 30 EGEDLO C=CCN(CCC#N)C(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000359382197 457078422 /nfs/dbraw/zinc/07/84/22/457078422.db2.gz GMLTYYNLFLXQCK-UHFFFAOYSA-N 1 2 348.450 3.155 20 30 EGEDLO C=CCN(CCC#N)C(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000359382197 457078428 /nfs/dbraw/zinc/07/84/28/457078428.db2.gz GMLTYYNLFLXQCK-UHFFFAOYSA-N 1 2 348.450 3.155 20 30 EGEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccc(C4(C#N)CC4)cc3)n2)C1 ZINC000349851269 457078965 /nfs/dbraw/zinc/07/89/65/457078965.db2.gz MZHUCYVVUQGABG-INIZCTEOSA-N 1 2 338.411 3.073 20 30 EGEDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccc(C4(C#N)CC4)cc3)n2)C1 ZINC000349851269 457078971 /nfs/dbraw/zinc/07/89/71/457078971.db2.gz MZHUCYVVUQGABG-INIZCTEOSA-N 1 2 338.411 3.073 20 30 EGEDLO COCCCN(C)C(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000330779175 457084418 /nfs/dbraw/zinc/08/44/18/457084418.db2.gz MGTJFJIUNFOVIS-HNNXBMFYSA-N 1 2 334.464 3.283 20 30 EGEDLO CC1CCN(c2ccc(CNC(=O)NCCC(F)(F)F)c[nH+]2)CC1 ZINC000330933321 457106680 /nfs/dbraw/zinc/10/66/80/457106680.db2.gz CHDZLXZRRBOHDD-UHFFFAOYSA-N 1 2 344.381 3.274 20 30 EGEDLO COc1cc[nH+]cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000346704666 457122172 /nfs/dbraw/zinc/12/21/72/457122172.db2.gz HWLYRWCMIQRFME-UHFFFAOYSA-N 1 2 349.346 3.386 20 30 EGEDLO N#Cc1ccc(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)s1 ZINC000362942761 457166422 /nfs/dbraw/zinc/16/64/22/457166422.db2.gz VLSNJCQNANDHIP-UHFFFAOYSA-N 1 2 340.452 3.325 20 30 EGEDLO Cc1cc(NC(=O)NCC(C)(C)C#N)c[nH+]c1N1CCCC[C@H]1C ZINC000350784111 457206057 /nfs/dbraw/zinc/20/60/57/457206057.db2.gz CMWYYESBNYQTBV-CQSZACIVSA-N 1 2 329.448 3.440 20 30 EGEDLO C[C@@H](C(=O)NCc1ccc(N2CCCCC2)[nH+]c1)c1cccc(C#N)c1 ZINC000360019529 457206943 /nfs/dbraw/zinc/20/69/43/457206943.db2.gz XVPDOXVMZGAAEY-MRXNPFEDSA-N 1 2 348.450 3.363 20 30 EGEDLO C=CCC[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)c1ccccc1 ZINC000342283641 457212015 /nfs/dbraw/zinc/21/20/15/457212015.db2.gz KNNRPCHMUIJYDG-RLLQIKCJSA-N 1 2 342.483 3.058 20 30 EGEDLO C=C(C)[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC000360618330 457321881 /nfs/dbraw/zinc/32/18/81/457321881.db2.gz IJCSSWSDNBPKGR-ZWKOTPCHSA-N 1 2 341.361 3.270 20 30 EGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000351979719 457327408 /nfs/dbraw/zinc/32/74/08/457327408.db2.gz VTXFPHLPXDXLKW-UHFFFAOYSA-N 1 2 331.341 3.298 20 30 EGEDLO C[C@H](C#N)CN(C(=O)CCn1c2ccccc2[nH+]c1C1CC1)C1CC1 ZINC000354899191 457328042 /nfs/dbraw/zinc/32/80/42/457328042.db2.gz SSQDEEIMQNEJDX-CQSZACIVSA-N 1 2 336.439 3.454 20 30 EGEDLO N#C[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1c1ccccc1 ZINC000355876965 457425415 /nfs/dbraw/zinc/42/54/15/457425415.db2.gz BXECGJDWYVZGAE-UYAOXDASSA-N 1 2 342.402 3.252 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000425111106 457439736 /nfs/dbraw/zinc/43/97/36/457439736.db2.gz OAOIYLRPUAZXEP-CYBMUJFWSA-N 1 2 335.398 3.055 20 30 EGEDLO Cc1cc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C#N)c[nH+]1 ZINC000425228630 457467032 /nfs/dbraw/zinc/46/70/32/457467032.db2.gz KORYOFHYYBUCJZ-UHFFFAOYSA-N 1 2 338.367 3.218 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(OCC2CC2)CC1 ZINC000374082902 457471662 /nfs/dbraw/zinc/47/16/62/457471662.db2.gz OGYBGAYSAXIIQT-UHFFFAOYSA-N 1 2 347.846 3.041 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(OCC3CC3)CC2)c1C ZINC000374097277 457475536 /nfs/dbraw/zinc/47/55/36/457475536.db2.gz OEBFWIISUIRIPZ-UHFFFAOYSA-N 1 2 330.472 3.365 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000364197303 457521317 /nfs/dbraw/zinc/52/13/17/457521317.db2.gz SRYIGOIQMWFWBS-IBGZPJMESA-N 1 2 347.409 3.108 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000364197303 457521326 /nfs/dbraw/zinc/52/13/26/457521326.db2.gz SRYIGOIQMWFWBS-IBGZPJMESA-N 1 2 347.409 3.108 20 30 EGEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000425515901 457583582 /nfs/dbraw/zinc/58/35/82/457583582.db2.gz XOWBIGLLDHLBPI-MZPVMMEZSA-N 1 2 342.345 3.422 20 30 EGEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000425515901 457583587 /nfs/dbraw/zinc/58/35/87/457583587.db2.gz XOWBIGLLDHLBPI-MZPVMMEZSA-N 1 2 342.345 3.422 20 30 EGEDLO C=CCOC[C@@H]([NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)C(=O)OC ZINC000361109954 457586947 /nfs/dbraw/zinc/58/69/47/457586947.db2.gz OKLKOIGIHSZKMJ-ZWKOTPCHSA-N 1 2 333.403 3.095 20 30 EGEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1cc(COC)[nH+]c2ccc(F)cc12 ZINC000357677790 457651690 /nfs/dbraw/zinc/65/16/90/457651690.db2.gz AOWQNSWXEGIDDL-BFUOFWGJSA-N 1 2 330.403 3.335 20 30 EGEDLO C=CCC[C@H](NC(=O)NCC[N@@H+]1CCO[C@H](CC)C1)c1ccccc1 ZINC000425934185 457654141 /nfs/dbraw/zinc/65/41/41/457654141.db2.gz ZSWVKVHTSRJWIY-MOPGFXCFSA-N 1 2 345.487 3.104 20 30 EGEDLO C=CCC[C@H](NC(=O)NCC[N@H+]1CCO[C@H](CC)C1)c1ccccc1 ZINC000425934185 457654145 /nfs/dbraw/zinc/65/41/45/457654145.db2.gz ZSWVKVHTSRJWIY-MOPGFXCFSA-N 1 2 345.487 3.104 20 30 EGEDLO C=CCOc1cccc(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000364713170 457678470 /nfs/dbraw/zinc/67/84/70/457678470.db2.gz URXAEGNIHAJKEQ-CQSZACIVSA-N 1 2 326.400 3.006 20 30 EGEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000370603381 457680395 /nfs/dbraw/zinc/68/03/95/457680395.db2.gz USLCKWLKKPJNCZ-CQSZACIVSA-N 1 2 347.340 3.016 20 30 EGEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000370603381 457680398 /nfs/dbraw/zinc/68/03/98/457680398.db2.gz USLCKWLKKPJNCZ-CQSZACIVSA-N 1 2 347.340 3.016 20 30 EGEDLO N#CC1(c2ccccc2)CC([NH2+][C@@H](CO)c2c(F)cccc2F)C1 ZINC000364863375 457708111 /nfs/dbraw/zinc/70/81/11/457708111.db2.gz KHBJYLFGACVAFE-KGYZHSKHSA-N 1 2 328.362 3.212 20 30 EGEDLO N#Cc1csc(C(=O)N2CC[NH2+][C@H](c3ccccc3Cl)C2)c1 ZINC000374883100 457727568 /nfs/dbraw/zinc/72/75/68/457727568.db2.gz WAQXYDUFQMKHDW-AWEZNQCLSA-N 1 2 331.828 3.060 20 30 EGEDLO C[N@H+](CC(=O)NCCc1cccc(Cl)c1Cl)CC(C)(C)C#N ZINC000433295764 457801543 /nfs/dbraw/zinc/80/15/43/457801543.db2.gz FMYSPUSSOGEADO-UHFFFAOYSA-N 1 2 342.270 3.134 20 30 EGEDLO C[N@@H+](CC(=O)NCCc1cccc(Cl)c1Cl)CC(C)(C)C#N ZINC000433295764 457801548 /nfs/dbraw/zinc/80/15/48/457801548.db2.gz FMYSPUSSOGEADO-UHFFFAOYSA-N 1 2 342.270 3.134 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411153919 457815470 /nfs/dbraw/zinc/81/54/70/457815470.db2.gz KWBSGKNDWQOJJJ-UHFFFAOYSA-N 1 2 343.452 3.222 20 30 EGEDLO CCc1nc([C@@H]2CCCC[N@@H+]2CCCC2(C#N)CCOCC2)no1 ZINC000366898711 457907507 /nfs/dbraw/zinc/90/75/07/457907507.db2.gz YIVJDCSNVVTOKL-HNNXBMFYSA-N 1 2 332.448 3.260 20 30 EGEDLO CCc1nc([C@@H]2CCCC[N@H+]2CCCC2(C#N)CCOCC2)no1 ZINC000366898711 457907512 /nfs/dbraw/zinc/90/75/12/457907512.db2.gz YIVJDCSNVVTOKL-HNNXBMFYSA-N 1 2 332.448 3.260 20 30 EGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2ccc(Br)o2)CC1 ZINC000367232122 457935249 /nfs/dbraw/zinc/93/52/49/457935249.db2.gz SKCOISYKRAJLHV-UHFFFAOYSA-N 1 2 346.228 3.494 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[NH2+][C@H]3CCCc4c(O)cccc43)o2)c1 ZINC000361923184 457957717 /nfs/dbraw/zinc/95/77/17/457957717.db2.gz BGEGFYQWAGEINA-KRWDZBQOSA-N 1 2 346.390 3.481 20 30 EGEDLO N#Cc1cccc(OCCCCC(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000371524258 457974016 /nfs/dbraw/zinc/97/40/16/457974016.db2.gz GYCJSVZDSUJZDA-KRWDZBQOSA-N 1 2 338.411 3.194 20 30 EGEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cc(C#N)ccc1Cl ZINC000376023663 458167175 /nfs/dbraw/zinc/16/71/75/458167175.db2.gz KPIKLEJQLITQOY-UHFFFAOYSA-N 1 2 328.803 3.017 20 30 EGEDLO CC(C)(CC#N)CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000459227755 458296161 /nfs/dbraw/zinc/29/61/61/458296161.db2.gz BVWYQVDVDLUMDO-UHFFFAOYSA-N 1 2 343.475 3.048 20 30 EGEDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@H+]1Cc1cccc(C#N)c1F ZINC000429394320 458327827 /nfs/dbraw/zinc/32/78/27/458327827.db2.gz PEYJBJQEDWASFT-OKILXGFUSA-N 1 2 331.435 3.165 20 30 EGEDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@@H+]1Cc1cccc(C#N)c1F ZINC000429394320 458327831 /nfs/dbraw/zinc/32/78/31/458327831.db2.gz PEYJBJQEDWASFT-OKILXGFUSA-N 1 2 331.435 3.165 20 30 EGEDLO N#C[C@H](C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1nc2ccccc2[nH]1 ZINC000436700179 458363217 /nfs/dbraw/zinc/36/32/17/458363217.db2.gz YHKJTLCMPXOXSV-MRXNPFEDSA-N 1 2 341.374 3.298 20 30 EGEDLO COc1cc(-c2nc(C[NH+]3CCC(F)(C#N)CC3)cs2)ccc1O ZINC000436708853 458364326 /nfs/dbraw/zinc/36/43/26/458364326.db2.gz VZZZUSVQNLORAW-UHFFFAOYSA-N 1 2 347.415 3.352 20 30 EGEDLO COc1cc(Br)c(C[NH2+]CC2(C#N)CCC2)c(OC)c1 ZINC000418135610 458371553 /nfs/dbraw/zinc/37/15/53/458371553.db2.gz BCNNDPPTGINCAW-UHFFFAOYSA-N 1 2 339.233 3.250 20 30 EGEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@]2(C#N)C[C@H]2C)CC1 ZINC000448647902 458404249 /nfs/dbraw/zinc/40/42/49/458404249.db2.gz ADIHLYKKLQBZOK-LBTNJELSSA-N 1 2 331.847 3.095 20 30 EGEDLO CC(C)(C)OC(=O)CCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000376857805 458408079 /nfs/dbraw/zinc/40/80/79/458408079.db2.gz MWXFRXUBYZNSHG-QGZVFWFLSA-N 1 2 330.428 3.053 20 30 EGEDLO CC(C)(C)OC(=O)CCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000376857805 458408084 /nfs/dbraw/zinc/40/80/84/458408084.db2.gz MWXFRXUBYZNSHG-QGZVFWFLSA-N 1 2 330.428 3.053 20 30 EGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(Cl)sc1Cl ZINC000448999123 458418383 /nfs/dbraw/zinc/41/83/83/458418383.db2.gz XZHIKGDCCGPPOG-UHFFFAOYSA-N 1 2 348.299 3.103 20 30 EGEDLO C=CC[N@@H+](Cc1cc2ccccc2c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000449015642 458418732 /nfs/dbraw/zinc/41/87/32/458418732.db2.gz LGHPFUJKGITHTO-QGZVFWFLSA-N 1 2 345.464 3.024 20 30 EGEDLO C=CC[N@H+](Cc1cc2ccccc2c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000449015642 458418737 /nfs/dbraw/zinc/41/87/37/458418737.db2.gz LGHPFUJKGITHTO-QGZVFWFLSA-N 1 2 345.464 3.024 20 30 EGEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@]2(C#N)C[C@@H]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450408269 458447610 /nfs/dbraw/zinc/44/76/10/458447610.db2.gz SMXJGLHSIOENBU-QXHJTNOSSA-N 1 2 349.837 3.280 20 30 EGEDLO CC[N@H+]1CC[C@H](NC(=O)[C@]2(C#N)C[C@@H]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450408269 458447614 /nfs/dbraw/zinc/44/76/14/458447614.db2.gz SMXJGLHSIOENBU-QXHJTNOSSA-N 1 2 349.837 3.280 20 30 EGEDLO COc1cccc([C@@H](Nc2nccc(C)c2C#N)c2[nH+]ccn2C)c1 ZINC000373281269 458451275 /nfs/dbraw/zinc/45/12/75/458451275.db2.gz PUJCUNQNOXRNFI-QGZVFWFLSA-N 1 2 333.395 3.205 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC(C)(C)[C@H]2COC[C@H]21 ZINC000452110998 458495159 /nfs/dbraw/zinc/49/51/59/458495159.db2.gz SIZIODBDVLPTSD-GOEBONIOSA-N 1 2 346.496 3.260 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC(C)(C)[C@H]2COC[C@H]21 ZINC000452110998 458495161 /nfs/dbraw/zinc/49/51/61/458495161.db2.gz SIZIODBDVLPTSD-GOEBONIOSA-N 1 2 346.496 3.260 20 30 EGEDLO C=CCCCC(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000373588071 458542709 /nfs/dbraw/zinc/54/27/09/458542709.db2.gz JISSGAROZSAUOP-UHFFFAOYSA-N 1 2 327.350 3.105 20 30 EGEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000494413081 458671937 /nfs/dbraw/zinc/67/19/37/458671937.db2.gz CVZATPYCHPOMJO-QGZVFWFLSA-N 1 2 338.480 3.403 20 30 EGEDLO N#Cc1ccc(C[N@@H+](CCC2CCCCC2)CC(N)=O)c(Cl)c1 ZINC000439461059 458705603 /nfs/dbraw/zinc/70/56/03/458705603.db2.gz YTQHNBKXWFNWID-UHFFFAOYSA-N 1 2 333.863 3.469 20 30 EGEDLO N#Cc1ccc(C[N@H+](CCC2CCCCC2)CC(N)=O)c(Cl)c1 ZINC000439461059 458705608 /nfs/dbraw/zinc/70/56/08/458705608.db2.gz YTQHNBKXWFNWID-UHFFFAOYSA-N 1 2 333.863 3.469 20 30 EGEDLO C[C@H]1CN(c2ccc(Nc3cccc(F)c3C#N)c[nH+]2)C[C@H](C)O1 ZINC000506859969 458752107 /nfs/dbraw/zinc/75/21/07/458752107.db2.gz YAUCROAQBOLIIG-STQMWFEESA-N 1 2 326.375 3.450 20 30 EGEDLO C=CCn1cccc1C(=O)Nc1ccc2c(c1)[nH+]c(C)n2[C@@H](C)CO ZINC000456694873 458754189 /nfs/dbraw/zinc/75/41/89/458754189.db2.gz BXVNRBIJAWPOFR-ZDUSSCGKSA-N 1 2 338.411 3.138 20 30 EGEDLO CC#CCCCC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000508318547 458758115 /nfs/dbraw/zinc/75/81/15/458758115.db2.gz MGJKPNCVPRWAFQ-SFHVURJKSA-N 1 2 342.483 3.312 20 30 EGEDLO CC#CCCCC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000508318547 458758122 /nfs/dbraw/zinc/75/81/22/458758122.db2.gz MGJKPNCVPRWAFQ-SFHVURJKSA-N 1 2 342.483 3.312 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000439966656 458771697 /nfs/dbraw/zinc/77/16/97/458771697.db2.gz KUTHJZLWRDAENE-KBPBESRZSA-N 1 2 340.452 3.478 20 30 EGEDLO CCCCCN(C)c1ccc(F)cc1C[NH+]1CCN(CC#N)CC1 ZINC000513145602 458789999 /nfs/dbraw/zinc/78/99/99/458789999.db2.gz VQUKRKSFICKBPD-UHFFFAOYSA-N 1 2 332.467 3.093 20 30 EGEDLO COc1ccccc1C[N@@H+](Cc1ccc(C#N)cn1)C[C@H]1CCCO1 ZINC000516528832 458818672 /nfs/dbraw/zinc/81/86/72/458818672.db2.gz UAVLYYLOGKXZNK-LJQANCHMSA-N 1 2 337.423 3.143 20 30 EGEDLO COc1ccccc1C[N@H+](Cc1ccc(C#N)cn1)C[C@H]1CCCO1 ZINC000516528832 458818677 /nfs/dbraw/zinc/81/86/77/458818677.db2.gz UAVLYYLOGKXZNK-LJQANCHMSA-N 1 2 337.423 3.143 20 30 EGEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccc(C#Cc2ccccc2)cc1 ZINC000548311882 458862759 /nfs/dbraw/zinc/86/27/59/458862759.db2.gz PFDGOQNTLOKFOX-FQEVSTJZSA-N 1 2 341.414 3.028 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC)c(OC)c1Br ZINC000566429953 458930001 /nfs/dbraw/zinc/93/00/01/458930001.db2.gz ZWMYDPQUAZDSRX-NSHDSACASA-N 1 2 327.222 3.248 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](CC2(C#N)CC2)C[C@H]1c1ccccc1 ZINC000495777307 458949726 /nfs/dbraw/zinc/94/97/26/458949726.db2.gz KKNURHHAVACGMM-DLBZAZTESA-N 1 2 341.455 3.283 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](CC2(C#N)CC2)C[C@H]1c1ccccc1 ZINC000495777307 458949732 /nfs/dbraw/zinc/94/97/32/458949732.db2.gz KKNURHHAVACGMM-DLBZAZTESA-N 1 2 341.455 3.283 20 30 EGEDLO Cc1ccc(C[NH2+]C[C@@H](C#N)CCC#N)c(OC[C@@H]2CCCO2)c1 ZINC000567207657 459063371 /nfs/dbraw/zinc/06/33/71/459063371.db2.gz NNOAHTQMBPWGLD-AEFFLSMTSA-N 1 2 327.428 3.086 20 30 EGEDLO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1nc([C@H]2CCCO2)n[nH]1 ZINC000594511421 459069860 /nfs/dbraw/zinc/06/98/60/459069860.db2.gz NAJCBHIIRIVINC-IAGOWNOFSA-N 1 2 337.427 3.085 20 30 EGEDLO C=CCC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)c1ccccc1 ZINC000532516153 459104566 /nfs/dbraw/zinc/10/45/66/459104566.db2.gz ILJHERWWAYXBSP-INIZCTEOSA-N 1 2 333.395 3.100 20 30 EGEDLO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@H](C)C#N ZINC000594612966 459113936 /nfs/dbraw/zinc/11/39/36/459113936.db2.gz RIDSOGYYTWNORE-LLVKDONJSA-N 1 2 333.233 3.193 20 30 EGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000590649096 459171409 /nfs/dbraw/zinc/17/14/09/459171409.db2.gz ROVXISGGFAGUAW-SFHVURJKSA-N 1 2 333.863 3.302 20 30 EGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000590649096 459171413 /nfs/dbraw/zinc/17/14/13/459171413.db2.gz ROVXISGGFAGUAW-SFHVURJKSA-N 1 2 333.863 3.302 20 30 EGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000590671388 459177871 /nfs/dbraw/zinc/17/78/71/459177871.db2.gz AKBYEZCKTQNSHI-NRFANRHFSA-N 1 2 348.450 3.364 20 30 EGEDLO CC(C)CCn1cccc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000578397488 459194932 /nfs/dbraw/zinc/19/49/32/459194932.db2.gz NVKLLDCGHVKKPU-UHFFFAOYSA-N 1 2 337.471 3.123 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000558867141 459218489 /nfs/dbraw/zinc/21/84/89/459218489.db2.gz UHGXDYLEXSZVRT-KXBFYZLASA-N 1 2 334.410 3.285 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000558867141 459218492 /nfs/dbraw/zinc/21/84/92/459218492.db2.gz UHGXDYLEXSZVRT-KXBFYZLASA-N 1 2 334.410 3.285 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000579975092 459254865 /nfs/dbraw/zinc/25/48/65/459254865.db2.gz HMSDFJMJQWZRKB-WCQYABFASA-N 1 2 343.349 3.044 20 30 EGEDLO C[C@H]1C[N@H+](Cc2ccc(F)cc2C#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000496674748 459281002 /nfs/dbraw/zinc/28/10/02/459281002.db2.gz WGMZFVHEBUFSIR-GUYCJALGSA-N 1 2 347.434 3.432 20 30 EGEDLO C[C@H]1C[N@@H+](Cc2ccc(F)cc2C#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000496674748 459281007 /nfs/dbraw/zinc/28/10/07/459281007.db2.gz WGMZFVHEBUFSIR-GUYCJALGSA-N 1 2 347.434 3.432 20 30 EGEDLO CCOC(=O)[C@]1([NH2+]CCc2ccc(C#N)cc2)CCc2ccccc21 ZINC000595370884 459285919 /nfs/dbraw/zinc/28/59/19/459285919.db2.gz KYLLIMGNXXEZNH-NRFANRHFSA-N 1 2 334.419 3.095 20 30 EGEDLO N#CCCN1CC[NH+](Cc2oc3ccccc3c2Br)CC1 ZINC000595393380 459288896 /nfs/dbraw/zinc/28/88/96/459288896.db2.gz ZWOKLEOFONKUAU-UHFFFAOYSA-N 1 2 348.244 3.227 20 30 EGEDLO N#CCCCOc1cccc(C[NH2+]Cc2n[nH]cc2Br)c1 ZINC000523391774 459297076 /nfs/dbraw/zinc/29/70/76/459297076.db2.gz JMHYOKVZHYLNGB-UHFFFAOYSA-N 1 2 349.232 3.145 20 30 EGEDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000591028156 459298060 /nfs/dbraw/zinc/29/80/60/459298060.db2.gz MKFTWPKQPMRERT-GOSISDBHSA-N 1 2 325.456 3.332 20 30 EGEDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000591028156 459298070 /nfs/dbraw/zinc/29/80/70/459298070.db2.gz MKFTWPKQPMRERT-GOSISDBHSA-N 1 2 325.456 3.332 20 30 EGEDLO N#Cc1ccc(CC[N@@H+]2CCO[C@H](c3ccc(F)cc3F)C2)cc1 ZINC000595451520 459306911 /nfs/dbraw/zinc/30/69/11/459306911.db2.gz ZPYSGQPPLVGUCF-IBGZPJMESA-N 1 2 328.362 3.452 20 30 EGEDLO N#Cc1ccc(CC[N@H+]2CCO[C@H](c3ccc(F)cc3F)C2)cc1 ZINC000595451520 459306913 /nfs/dbraw/zinc/30/69/13/459306913.db2.gz ZPYSGQPPLVGUCF-IBGZPJMESA-N 1 2 328.362 3.452 20 30 EGEDLO C=CCc1ccccc1OC[C@H](O)CN(C)c1[nH]c2ccccc2[nH+]1 ZINC000534397946 459323652 /nfs/dbraw/zinc/32/36/52/459323652.db2.gz OSSBXOHJSSUDIL-MRXNPFEDSA-N 1 2 337.423 3.168 20 30 EGEDLO CCOc1ccc(-c2noc(C[N@@H+]3CCC[C@H](CC#N)C3)n2)cc1 ZINC000595609042 459363615 /nfs/dbraw/zinc/36/36/15/459363615.db2.gz FLDDDGTTWSQOHE-CQSZACIVSA-N 1 2 326.400 3.261 20 30 EGEDLO CCOc1ccc(-c2noc(C[N@H+]3CCC[C@H](CC#N)C3)n2)cc1 ZINC000595609042 459363618 /nfs/dbraw/zinc/36/36/18/459363618.db2.gz FLDDDGTTWSQOHE-CQSZACIVSA-N 1 2 326.400 3.261 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000595608883 459363988 /nfs/dbraw/zinc/36/39/88/459363988.db2.gz AYGIIHYMIODKEI-LLVKDONJSA-N 1 2 337.217 3.303 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000595608883 459363995 /nfs/dbraw/zinc/36/39/95/459363995.db2.gz AYGIIHYMIODKEI-LLVKDONJSA-N 1 2 337.217 3.303 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000537683817 459367385 /nfs/dbraw/zinc/36/73/85/459367385.db2.gz POZIGBLHUGJAIF-PJIJBLCYSA-N 1 2 331.435 3.188 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000537683817 459367389 /nfs/dbraw/zinc/36/73/89/459367389.db2.gz POZIGBLHUGJAIF-PJIJBLCYSA-N 1 2 331.435 3.188 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595617147 459370134 /nfs/dbraw/zinc/37/01/34/459370134.db2.gz VFYNCGLGOUMSCF-CHWSQXEVSA-N 1 2 330.819 3.164 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595617147 459370137 /nfs/dbraw/zinc/37/01/37/459370137.db2.gz VFYNCGLGOUMSCF-CHWSQXEVSA-N 1 2 330.819 3.164 20 30 EGEDLO CC(C)(C)c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595617439 459370144 /nfs/dbraw/zinc/37/01/44/459370144.db2.gz ZTSCXEWGCGFHAF-INIZCTEOSA-N 1 2 348.512 3.383 20 30 EGEDLO CC(C)(C)c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595617439 459370149 /nfs/dbraw/zinc/37/01/49/459370149.db2.gz ZTSCXEWGCGFHAF-INIZCTEOSA-N 1 2 348.512 3.383 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](Cc2nc3sc4c(c3c(N)n2)CCCC4)C1 ZINC000595617492 459370485 /nfs/dbraw/zinc/37/04/85/459370485.db2.gz WNZAKCLGXZOFAX-GFCCVEGCSA-N 1 2 341.484 3.278 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](Cc2nc3sc4c(c3c(N)n2)CCCC4)C1 ZINC000595617492 459370488 /nfs/dbraw/zinc/37/04/88/459370488.db2.gz WNZAKCLGXZOFAX-GFCCVEGCSA-N 1 2 341.484 3.278 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000582535869 459381951 /nfs/dbraw/zinc/38/19/51/459381951.db2.gz YOZHTXVEAQFSIA-NVXWUHKLSA-N 1 2 335.436 3.494 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCc3ccc(C)cc3C2)c(C#N)c1C ZINC000595659209 459387887 /nfs/dbraw/zinc/38/78/87/459387887.db2.gz XVSDTCFEHQOPQU-AWEZNQCLSA-N 1 2 337.423 3.462 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCc3ccc(C)cc3C2)c(C#N)c1C ZINC000595659209 459387892 /nfs/dbraw/zinc/38/78/92/459387892.db2.gz XVSDTCFEHQOPQU-AWEZNQCLSA-N 1 2 337.423 3.462 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000582639276 459399002 /nfs/dbraw/zinc/39/90/02/459399002.db2.gz RTUBCLCDONXGDC-KRWDZBQOSA-N 1 2 333.351 3.401 20 30 EGEDLO COc1ccc2c(c1)CC[N@@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)C2 ZINC000595759195 459428172 /nfs/dbraw/zinc/42/81/72/459428172.db2.gz JITRNNZHHDYVII-UHFFFAOYSA-N 1 2 346.390 3.175 20 30 EGEDLO COc1ccc2c(c1)CC[N@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)C2 ZINC000595759195 459428178 /nfs/dbraw/zinc/42/81/78/459428178.db2.gz JITRNNZHHDYVII-UHFFFAOYSA-N 1 2 346.390 3.175 20 30 EGEDLO CC(=O)c1ccc(C#N)c(N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000541576582 459469403 /nfs/dbraw/zinc/46/94/03/459469403.db2.gz MZSCHMGTGHUTFU-UHFFFAOYSA-N 1 2 325.437 3.145 20 30 EGEDLO CC[C@@H](CC#N)[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000583573286 459561367 /nfs/dbraw/zinc/56/13/67/459561367.db2.gz PJEIUCBDIYVLDI-WCQYABFASA-N 1 2 325.334 3.093 20 30 EGEDLO CC[C@H](CC#N)[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000583573285 459561463 /nfs/dbraw/zinc/56/14/63/459561463.db2.gz PJEIUCBDIYVLDI-DGCLKSJQSA-N 1 2 325.334 3.093 20 30 EGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000489404854 459562782 /nfs/dbraw/zinc/56/27/82/459562782.db2.gz PRIFQCNBMUVAFS-OAHLLOKOSA-N 1 2 344.484 3.061 20 30 EGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000489404854 459562788 /nfs/dbraw/zinc/56/27/88/459562788.db2.gz PRIFQCNBMUVAFS-OAHLLOKOSA-N 1 2 344.484 3.061 20 30 EGEDLO Cc1csc(NC(=O)NCCn2c(C)[nH+]c3ccccc32)c1C#N ZINC000562444111 459563299 /nfs/dbraw/zinc/56/32/99/459563299.db2.gz PFOSRAMRIQGVCX-UHFFFAOYSA-N 1 2 339.424 3.408 20 30 EGEDLO CC[C@H](CC#N)[NH2+]Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000571697432 459571704 /nfs/dbraw/zinc/57/17/04/459571704.db2.gz HCIVAERMORCXLG-SNVBAGLBSA-N 1 2 328.397 3.439 20 30 EGEDLO C#C[C@@H](CCC)NC(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000490740298 459586460 /nfs/dbraw/zinc/58/64/60/459586460.db2.gz NZRUTPSXWFDWGV-INIZCTEOSA-N 1 2 338.455 3.493 20 30 EGEDLO N#C[C@]1(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC12CCCC2 ZINC000583792807 459596753 /nfs/dbraw/zinc/59/67/53/459596753.db2.gz VRBYWBYTNRTXBZ-FQEVSTJZSA-N 1 2 334.423 3.022 20 30 EGEDLO C#C[C@H](CCC)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000491193282 459604235 /nfs/dbraw/zinc/60/42/35/459604235.db2.gz XNJVZSDJALLQAN-JFIYKMOQSA-N 1 2 343.471 3.219 20 30 EGEDLO CCOc1cc2c(cc1OCC)C[N@H+](Cc1ccc(C#N)cn1)CC2 ZINC000572981749 459606861 /nfs/dbraw/zinc/60/68/61/459606861.db2.gz ASCQNDAWWNZEGW-UHFFFAOYSA-N 1 2 337.423 3.309 20 30 EGEDLO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1ccc(C#N)cn1)CC2 ZINC000572981749 459606870 /nfs/dbraw/zinc/60/68/70/459606870.db2.gz ASCQNDAWWNZEGW-UHFFFAOYSA-N 1 2 337.423 3.309 20 30 EGEDLO C#C[C@H]([NH2+][C@H](C(=O)N(C)C)c1ccccc1)c1ccc(Cl)cc1 ZINC000491305352 459614865 /nfs/dbraw/zinc/61/48/65/459614865.db2.gz IPVGUXJOMXDZNV-ROUUACIJSA-N 1 2 326.827 3.433 20 30 EGEDLO COC(=O)Nc1ccc(CC[NH+]=Cc2cccc(OC)c2O)cc1 ZINC000491467016 459629689 /nfs/dbraw/zinc/62/96/89/459629689.db2.gz ZVKJMWLWRKMTSQ-XDHOZWIPSA-N 1 2 328.368 3.241 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc3nc(C)ccc3c2)n1 ZINC000491514920 459632900 /nfs/dbraw/zinc/63/29/00/459632900.db2.gz KQKZJGOTOGJJMN-UHFFFAOYSA-N 1 2 348.450 3.022 20 30 EGEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc3nc(C)ccc3c2)n1 ZINC000491514920 459632905 /nfs/dbraw/zinc/63/29/05/459632905.db2.gz KQKZJGOTOGJJMN-UHFFFAOYSA-N 1 2 348.450 3.022 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@H](C)c2cccc(Cl)c2)n1 ZINC000491508208 459632930 /nfs/dbraw/zinc/63/29/30/459632930.db2.gz YWMSQSCUXMYCFU-OAHLLOKOSA-N 1 2 331.847 3.379 20 30 EGEDLO C#CCn1ccc(C[N@H+](CCOC)[C@H](C)c2cccc(Cl)c2)n1 ZINC000491508208 459632933 /nfs/dbraw/zinc/63/29/33/459632933.db2.gz YWMSQSCUXMYCFU-OAHLLOKOSA-N 1 2 331.847 3.379 20 30 EGEDLO N#Cc1ccc(Br)c(C[NH2+][C@H](CO)c2ccc(F)cc2)c1 ZINC000491605873 459639341 /nfs/dbraw/zinc/63/93/41/459639341.db2.gz ZOPWDMWNQXPLFY-MRXNPFEDSA-N 1 2 349.203 3.283 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@@H]2CCCc3ccc(F)cc32)n1 ZINC000491620047 459640052 /nfs/dbraw/zinc/64/00/52/459640052.db2.gz FCCSMQPRLVKOIV-HXUWFJFHSA-N 1 2 341.430 3.181 20 30 EGEDLO C#CCn1ccc(C[N@H+](CCOC)[C@@H]2CCCc3ccc(F)cc32)n1 ZINC000491620047 459640053 /nfs/dbraw/zinc/64/00/53/459640053.db2.gz FCCSMQPRLVKOIV-HXUWFJFHSA-N 1 2 341.430 3.181 20 30 EGEDLO C#C[C@@H](NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1)c1ccc(Cl)cc1 ZINC000491654694 459646925 /nfs/dbraw/zinc/64/69/25/459646925.db2.gz GKDVAFCNZZSECA-CVEARBPZSA-N 1 2 342.830 3.198 20 30 EGEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000491705836 459658417 /nfs/dbraw/zinc/65/84/17/459658417.db2.gz KZNBXDLLJLBMCL-CQSZACIVSA-N 1 2 327.453 3.086 20 30 EGEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000491705836 459658422 /nfs/dbraw/zinc/65/84/22/459658422.db2.gz KZNBXDLLJLBMCL-CQSZACIVSA-N 1 2 327.453 3.086 20 30 EGEDLO C#C[C@H](C)N(C)C(=O)c1ccccc1OCc1cn2cccc(C)c2[nH+]1 ZINC000491710381 459658691 /nfs/dbraw/zinc/65/86/91/459658691.db2.gz YFYVFPKXHVFPKU-INIZCTEOSA-N 1 2 347.418 3.315 20 30 EGEDLO C#C[C@H](NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1ccc(F)cc1 ZINC000491818434 459679503 /nfs/dbraw/zinc/67/95/03/459679503.db2.gz YUOIXZQBSQKBQZ-HOCLYGCPSA-N 1 2 339.414 3.268 20 30 EGEDLO C#C[C@H](NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1ccc(F)cc1 ZINC000491818434 459679508 /nfs/dbraw/zinc/67/95/08/459679508.db2.gz YUOIXZQBSQKBQZ-HOCLYGCPSA-N 1 2 339.414 3.268 20 30 EGEDLO CN(C(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1)C1(C#N)CCCCC1 ZINC000596593778 459689110 /nfs/dbraw/zinc/68/91/10/459689110.db2.gz RRDIRWHQMZPYLM-SFHVURJKSA-N 1 2 340.471 3.149 20 30 EGEDLO CN(C(=O)C[N@H+]1CC(C)(C)[C@@H]1c1cccnc1)C1(C#N)CCCCC1 ZINC000596593778 459689117 /nfs/dbraw/zinc/68/91/17/459689117.db2.gz RRDIRWHQMZPYLM-SFHVURJKSA-N 1 2 340.471 3.149 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc2ccccc2cc1OC(F)F ZINC000584414520 459733039 /nfs/dbraw/zinc/73/30/39/459733039.db2.gz WRQSAIFLNBBIQY-SFHVURJKSA-N 1 2 347.365 3.015 20 30 EGEDLO C=CCCSCCNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000596721295 459740451 /nfs/dbraw/zinc/74/04/51/459740451.db2.gz GVQDKBFDMCMLAD-UHFFFAOYSA-N 1 2 337.489 3.158 20 30 EGEDLO CC[C@@H](CC#N)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000563547708 459766452 /nfs/dbraw/zinc/76/64/52/459766452.db2.gz XSMVZEVLSYQSPI-WFASDCNBSA-N 1 2 337.370 3.065 20 30 EGEDLO CC#CCCNC(=O)c1ccccc1OCc1cn2cc(C)ccc2[nH+]1 ZINC000544580893 459769938 /nfs/dbraw/zinc/76/99/38/459769938.db2.gz DGEXTFFDJFPHNP-UHFFFAOYSA-N 1 2 347.418 3.365 20 30 EGEDLO Cc1nc(-c2ccccc2C)sc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000566013272 459793898 /nfs/dbraw/zinc/79/38/98/459793898.db2.gz LBIULTIADKXOLK-GOSISDBHSA-N 1 2 342.468 3.001 20 30 EGEDLO CCC(C#N)(CC)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000528022325 459797810 /nfs/dbraw/zinc/79/78/10/459797810.db2.gz XNZCYCDJFBRGBL-UHFFFAOYSA-N 1 2 328.460 3.408 20 30 EGEDLO N#CCc1cccc(NC(=O)NCc2ccc[nH+]c2N2CCCC2)c1 ZINC000596929568 459798255 /nfs/dbraw/zinc/79/82/55/459798255.db2.gz UZWLSEHQSGNZJR-UHFFFAOYSA-N 1 2 335.411 3.070 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000574274704 459800482 /nfs/dbraw/zinc/80/04/82/459800482.db2.gz PHLKQOHPLATKJV-OLZOCXBDSA-N 1 2 347.846 3.182 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000574274704 459800484 /nfs/dbraw/zinc/80/04/84/459800484.db2.gz PHLKQOHPLATKJV-OLZOCXBDSA-N 1 2 347.846 3.182 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@@H]3C3CCCC3)CC2)cc1 ZINC000593389115 459875262 /nfs/dbraw/zinc/87/52/62/459875262.db2.gz OABDBWLDVNFXGT-WOJBJXKFSA-N 1 2 337.467 3.029 20 30 EGEDLO CC1CCN(c2ccc(CNC(=O)CCCCCC#N)c[nH+]2)CC1 ZINC000588151728 459920774 /nfs/dbraw/zinc/92/07/74/459920774.db2.gz OFODNQHDTDPDPB-UHFFFAOYSA-N 1 2 328.460 3.408 20 30 EGEDLO N#Cc1cccc(C[NH+]2CCN(Cc3c(F)cccc3Cl)CC2)n1 ZINC000602432818 459934502 /nfs/dbraw/zinc/93/45/02/459934502.db2.gz ISZGAUAXHVNYDW-UHFFFAOYSA-N 1 2 344.821 3.064 20 30 EGEDLO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)n1C ZINC000602481150 459958901 /nfs/dbraw/zinc/95/89/01/459958901.db2.gz FOUDOHVEVAGULB-MSOLQXFVSA-N 1 2 337.423 3.083 20 30 EGEDLO COC(=O)c1ccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)n1C ZINC000602481150 459958908 /nfs/dbraw/zinc/95/89/08/459958908.db2.gz FOUDOHVEVAGULB-MSOLQXFVSA-N 1 2 337.423 3.083 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000613978967 459982696 /nfs/dbraw/zinc/98/26/96/459982696.db2.gz AIOZCXZWBSPPNU-AWEZNQCLSA-N 1 2 332.407 3.484 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C(=O)OC)n1C ZINC000602656036 460046615 /nfs/dbraw/zinc/04/66/15/460046615.db2.gz RDIVMMQQLSGYBG-UHFFFAOYSA-N 1 2 344.459 3.167 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C(=O)OC)n1C ZINC000602656036 460046631 /nfs/dbraw/zinc/04/66/31/460046631.db2.gz RDIVMMQQLSGYBG-UHFFFAOYSA-N 1 2 344.459 3.167 20 30 EGEDLO Cc1cc(C)c(C#N)c(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC000598857726 460070420 /nfs/dbraw/zinc/07/04/20/460070420.db2.gz SEKOHEIQYASKDY-MRXNPFEDSA-N 1 2 342.830 3.465 20 30 EGEDLO COc1cc(C[NH2+]CC2(C#N)CCC2)c(F)cc1Br ZINC000602700477 460072097 /nfs/dbraw/zinc/07/20/97/460072097.db2.gz WQSLXGRMPMJGCY-UHFFFAOYSA-N 1 2 327.197 3.380 20 30 EGEDLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@@H](CC#N)C3)cn2c1 ZINC000597913834 460108314 /nfs/dbraw/zinc/10/83/14/460108314.db2.gz BTDRUNKSCHZIHO-HNNXBMFYSA-N 1 2 342.468 3.028 20 30 EGEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(=Cc2cccc(F)c2)CC1)C1CC1 ZINC000610432476 460149606 /nfs/dbraw/zinc/14/96/06/460149606.db2.gz GCSMDWQHZHVYQS-FQEVSTJZSA-N 1 2 341.430 3.113 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000602839141 460152991 /nfs/dbraw/zinc/15/29/91/460152991.db2.gz IBSRLUOZUIJCGR-GFCCVEGCSA-N 1 2 329.429 3.468 20 30 EGEDLO Cc1ccc2[nH+]c(CNC(=O)[C@@H](C)Cc3ccc(C#N)cc3)cn2c1 ZINC000594247865 460171944 /nfs/dbraw/zinc/17/19/44/460171944.db2.gz GHSDJIOGBFYHNH-HNNXBMFYSA-N 1 2 332.407 3.009 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000602927507 460190833 /nfs/dbraw/zinc/19/08/33/460190833.db2.gz TUVFJQMUXISNNF-HOCLYGCPSA-N 1 2 329.444 3.394 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000602927507 460190840 /nfs/dbraw/zinc/19/08/40/460190840.db2.gz TUVFJQMUXISNNF-HOCLYGCPSA-N 1 2 329.444 3.394 20 30 EGEDLO N#CC[C@@H](CC(=O)NCC1CC[NH+](CC(F)F)CC1)c1ccccc1 ZINC000594360961 460195465 /nfs/dbraw/zinc/19/54/65/460195465.db2.gz DIEJPNWMUGCEJM-KRWDZBQOSA-N 1 2 349.425 3.167 20 30 EGEDLO N#Cc1ccc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000610877065 460254549 /nfs/dbraw/zinc/25/45/49/460254549.db2.gz WLKSVMTUAQIFRT-CYBMUJFWSA-N 1 2 329.791 3.277 20 30 EGEDLO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611174679 460301446 /nfs/dbraw/zinc/30/14/46/460301446.db2.gz ONEVKFKFAHRHFG-IRXDYDNUSA-N 1 2 342.487 3.058 20 30 EGEDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000611280647 460327762 /nfs/dbraw/zinc/32/77/62/460327762.db2.gz QJVBNYSCVLOEPY-AWEZNQCLSA-N 1 2 349.463 3.446 20 30 EGEDLO C[NH+](C)Cc1cc(NC(=O)c2cc(O)cc(C#N)c2)ccc1Cl ZINC000619618443 460398129 /nfs/dbraw/zinc/39/81/29/460398129.db2.gz XGPJCHGCCPNESG-UHFFFAOYSA-N 1 2 329.787 3.231 20 30 EGEDLO C=C[C@H]([NH2+][C@H](C)CCc1ccc(Br)cc1)C(=O)OC ZINC000619700728 460418258 /nfs/dbraw/zinc/41/82/58/460418258.db2.gz JIEYQJRDFDRUSZ-RISCZKNCSA-N 1 2 326.234 3.087 20 30 EGEDLO N#CCc1ccccc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000601427150 460809617 /nfs/dbraw/zinc/80/96/17/460809617.db2.gz WJEYGNVZFULPII-UHFFFAOYSA-N 1 2 336.439 3.282 20 30 EGEDLO Cn1c2ccc(CNC(=O)c3ccccc3CC#N)cc2[nH+]c1C1CC1 ZINC000601558100 460832594 /nfs/dbraw/zinc/83/25/94/460832594.db2.gz HZNRUEXXFQZMOX-UHFFFAOYSA-N 1 2 344.418 3.447 20 30 EGEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000613655116 461027833 /nfs/dbraw/zinc/02/78/33/461027833.db2.gz ASPAGKRGLDVXER-QGZVFWFLSA-N 1 2 329.403 3.101 20 30 EGEDLO CC#CC[NH2+]Cc1cn([C@@H](CC)c2ccc(Br)cc2)nn1 ZINC000641134240 461136945 /nfs/dbraw/zinc/13/69/45/461136945.db2.gz JKVDQIYTKXACPC-INIZCTEOSA-N 1 2 347.260 3.153 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(C)cn1 ZINC000649902122 461439503 /nfs/dbraw/zinc/43/95/03/461439503.db2.gz UZJFEIUZVSPPGJ-MRXNPFEDSA-N 1 2 343.496 3.487 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C)cn1 ZINC000649902122 461439514 /nfs/dbraw/zinc/43/95/14/461439514.db2.gz UZJFEIUZVSPPGJ-MRXNPFEDSA-N 1 2 343.496 3.487 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(-c2ccc(F)cc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000179528341 526331997 /nfs/dbraw/zinc/33/19/97/526331997.db2.gz LFZPIHFIBQGQMA-MRXNPFEDSA-N 1 2 349.427 3.261 20 30 EGEDLO C=CC[N@H+](Cc1ccc(-c2ccc(F)cc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000179528341 526332001 /nfs/dbraw/zinc/33/20/01/526332001.db2.gz LFZPIHFIBQGQMA-MRXNPFEDSA-N 1 2 349.427 3.261 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)CCC1 ZINC000188643445 527054002 /nfs/dbraw/zinc/05/40/02/527054002.db2.gz MVLNJZJZLPXOBM-IBGZPJMESA-N 1 2 342.483 3.231 20 30 EGEDLO C#CCOc1cccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000130027378 527121789 /nfs/dbraw/zinc/12/17/89/527121789.db2.gz YXINXAQORYRFJJ-QAPCUYQASA-N 1 2 338.411 3.010 20 30 EGEDLO C#CCOc1cccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000130027772 527122127 /nfs/dbraw/zinc/12/21/27/527122127.db2.gz YXINXAQORYRFJJ-CRAIPNDOSA-N 1 2 338.411 3.010 20 30 EGEDLO C[C@@H]1CCN(C([O-])=[NH+]CC2(C(F)(F)F)CC2)C[C@H]1n1cc[nH+]c1 ZINC000329317523 547495355 /nfs/dbraw/zinc/49/53/55/547495355.db2.gz HWXYWHHVQDJPLS-VXGBXAGGSA-N 1 2 330.354 3.023 20 30 EGEDLO C[C@@H](NC(=O)N1CCn2cc[nH+]c2C1)C12CC3CC(CC(C3)C1)C2 ZINC000329430728 547497275 /nfs/dbraw/zinc/49/72/75/547497275.db2.gz KHFBFERWECFIPU-PGBRGIIUSA-N 1 2 328.460 3.218 20 30 EGEDLO Cc1cccc2c1OCC[C@H]2NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000330018853 547511721 /nfs/dbraw/zinc/51/17/21/547511721.db2.gz UEOHRDPJJZHEEJ-MRXNPFEDSA-N 1 2 330.428 3.030 20 30 EGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NCCC2CCCCC2)CCO1 ZINC000330339325 547520584 /nfs/dbraw/zinc/52/05/84/547520584.db2.gz WNKZPSQBHRSSLI-WBVHZDCISA-N 1 2 334.464 3.114 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000682367529 550090217 /nfs/dbraw/zinc/09/02/17/550090217.db2.gz QIFULCYEJHVIAF-FQEVSTJZSA-N 1 2 330.472 3.250 20 30 EGEDLO C[C@H]1CN(c2ccccc2C=[NH+]Nc2ccnc3ccccc32)CCO1 ZINC000730146369 574925406 /nfs/dbraw/zinc/92/54/06/574925406.db2.gz SQXGDJUWDJFYNS-INIZCTEOSA-N 1 2 346.434 3.328 20 30 EGEDLO C=C(Br)C[N@H+](CCOC)CCOc1ccc(F)cc1 ZINC000731279750 575063882 /nfs/dbraw/zinc/06/38/82/575063882.db2.gz CVJMRZGUWQXNHO-UHFFFAOYSA-N 1 2 332.213 3.062 20 30 EGEDLO C=C(Br)C[N@@H+](CCOC)CCOc1ccc(F)cc1 ZINC000731279750 575063883 /nfs/dbraw/zinc/06/38/83/575063883.db2.gz CVJMRZGUWQXNHO-UHFFFAOYSA-N 1 2 332.213 3.062 20 30 EGEDLO C#CCOc1ccc(C[NH2+][C@H](c2nccn2C)c2ccc(F)cc2)cc1 ZINC000733324466 575327707 /nfs/dbraw/zinc/32/77/07/575327707.db2.gz ZVVWMKQHTNVTSW-FQEVSTJZSA-N 1 2 349.409 3.450 20 30 EGEDLO CC(=[NH+]Nc1cnnc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000733750235 575388215 /nfs/dbraw/zinc/38/82/15/575388215.db2.gz QRICLVPXGDLWJB-UHFFFAOYSA-N 1 2 347.422 3.303 20 30 EGEDLO CC1CCC(=CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000734119822 575443302 /nfs/dbraw/zinc/44/33/02/575443302.db2.gz HIKPXXUTCCSGLF-UHFFFAOYSA-N 1 2 337.467 3.339 20 30 EGEDLO COc1ccc(C=NNc2[nH]c3cc(F)c(F)cc3[nH+]2)cc1C#N ZINC000741763093 576718233 /nfs/dbraw/zinc/71/82/33/576718233.db2.gz WUVPUPCFHCRQTG-UHFFFAOYSA-N 1 2 327.294 3.167 20 30 EGEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cccc(-c2nn[nH]n2)c1F ZINC000823915077 608646875 /nfs/dbraw/zinc/64/68/75/608646875.db2.gz RUCBAAUHMJYKCZ-UHFFFAOYSA-N 1 2 348.385 3.066 20 30 EGEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(-c2nn[nH]n2)c1F ZINC000823915077 608646876 /nfs/dbraw/zinc/64/68/76/608646876.db2.gz RUCBAAUHMJYKCZ-UHFFFAOYSA-N 1 2 348.385 3.066 20 30 EGEDLO C#CCOc1ccc(Br)cc1C[NH2+]Cc1cnc(C)o1 ZINC000397938151 1297706793 /nfs/dbraw/zinc/70/67/93/1297706793.db2.gz IOXAVTXKZSVMBU-UHFFFAOYSA-N 1 2 335.201 3.047 20 30 EGEDLO NC(=[NH+]OCc1ccccc1)c1ccc(OCc2cccnc2)cc1 ZINC000060197223 1291918858 /nfs/dbraw/zinc/91/88/58/1291918858.db2.gz GJVMWTZNSAYMRW-UHFFFAOYSA-N 1 2 333.391 3.498 20 30 EGEDLO CCO[C@H](C)c1nc(CO[NH+]=C(N)Cc2ccc(OC)cc2)cs1 ZINC000076696403 1292437934 /nfs/dbraw/zinc/43/79/34/1292437934.db2.gz XXDQHDMWTGHCSD-GFCCVEGCSA-N 1 2 349.456 3.281 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CC2=Cc3ccccc3OC2)c1 ZINC000092143470 1292856167 /nfs/dbraw/zinc/85/61/67/1292856167.db2.gz GSZIAQOZGRUJDH-UHFFFAOYSA-N 1 2 332.403 3.014 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CC2=Cc3ccccc3OC2)c1 ZINC000092143470 1292856183 /nfs/dbraw/zinc/85/61/83/1292856183.db2.gz GSZIAQOZGRUJDH-UHFFFAOYSA-N 1 2 332.403 3.014 20 30 EGEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000093102532 1292907841 /nfs/dbraw/zinc/90/78/41/1292907841.db2.gz SFSBEUGXDMZWGJ-YOEHRIQHSA-N 1 2 330.428 3.284 20 30 EGEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000093102532 1292907845 /nfs/dbraw/zinc/90/78/45/1292907845.db2.gz SFSBEUGXDMZWGJ-YOEHRIQHSA-N 1 2 330.428 3.284 20 30 EGEDLO NC(Cc1cccnc1)=[NH+]OCc1csc(Cc2ccccc2)n1 ZINC000137659895 1293831242 /nfs/dbraw/zinc/83/12/42/1293831242.db2.gz KCEBZNDBVNJCCR-UHFFFAOYSA-N 1 2 338.436 3.160 20 30 EGEDLO COc1ccc(C(N)=[NH+]OCc2nc(C(F)(F)F)cs2)cc1 ZINC000154243957 1294047821 /nfs/dbraw/zinc/04/78/21/1294047821.db2.gz ULHLBVXAXJZTAC-UHFFFAOYSA-N 1 2 331.319 3.008 20 30 EGEDLO CCN(C(=O)CO[NH+]=C(N)c1ccccc1)[C@H](C)c1ccc(F)cc1 ZINC000178150811 1294719365 /nfs/dbraw/zinc/71/93/65/1294719365.db2.gz AJBMLKZMCSPMEQ-CQSZACIVSA-N 1 2 343.402 3.072 20 30 EGEDLO C#C[C@H](CC)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000310039262 1297083963 /nfs/dbraw/zinc/08/39/63/1297083963.db2.gz WWCACQWFPAWFLT-SNVBAGLBSA-N 1 2 347.050 3.419 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1nc(C)sc1C ZINC001024503867 1323450984 /nfs/dbraw/zinc/45/09/84/1323450984.db2.gz FEGUUZRIIFDNKK-ZDUSSCGKSA-N 1 2 327.881 3.097 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1nc(C)sc1C ZINC001024503867 1323450989 /nfs/dbraw/zinc/45/09/89/1323450989.db2.gz FEGUUZRIIFDNKK-ZDUSSCGKSA-N 1 2 327.881 3.097 20 30 EGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCOC[C@H](C)C1 ZINC000328673135 1297258162 /nfs/dbraw/zinc/25/81/62/1297258162.db2.gz ITIUEMYRNSPYJT-NEPJUHHUSA-N 1 2 333.457 3.053 20 30 EGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCOC[C@H](C)C1 ZINC000328673135 1297258169 /nfs/dbraw/zinc/25/81/69/1297258169.db2.gz ITIUEMYRNSPYJT-NEPJUHHUSA-N 1 2 333.457 3.053 20 30 EGEDLO C=CCOc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000444657479 1297860428 /nfs/dbraw/zinc/86/04/28/1297860428.db2.gz KUSPEVCLWXAHJN-INIZCTEOSA-N 1 2 325.412 3.005 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)CC(C)(C)C)C1 ZINC001027302457 1325444472 /nfs/dbraw/zinc/44/44/72/1325444472.db2.gz HCDBMEJHERMTLM-CYBMUJFWSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)CC(C)(C)C)C1 ZINC001027302457 1325444476 /nfs/dbraw/zinc/44/44/76/1325444476.db2.gz HCDBMEJHERMTLM-CYBMUJFWSA-N 1 2 331.298 3.254 20 30 EGEDLO C[C@@H](O[NH+]=C(N)c1ccc(F)cc1)c1nnc(-c2cccs2)o1 ZINC000747864954 1298874373 /nfs/dbraw/zinc/87/43/73/1298874373.db2.gz VCYFJZASHORMOO-SECBINFHSA-N 1 2 332.360 3.335 20 30 EGEDLO COc1ccc(C(N)=[NH+]O[C@H](C)c2nnc(-c3cccs3)o2)cc1 ZINC000747864263 1298875095 /nfs/dbraw/zinc/87/50/95/1298875095.db2.gz MNOOXKDGDIHNJN-SNVBAGLBSA-N 1 2 344.396 3.205 20 30 EGEDLO C#CCNC(=O)C[NH2+][C@@H](c1ccc(F)c(C)c1)c1ccccc1Cl ZINC000749275327 1299184036 /nfs/dbraw/zinc/18/40/36/1299184036.db2.gz BWLLTHAIRLUGJG-IBGZPJMESA-N 1 2 344.817 3.216 20 30 EGEDLO Cc1nn(C)c2nc(Cl)c(C[N@H+](C)Cc3ccc(C#N)cc3)cc12 ZINC000749902179 1299297702 /nfs/dbraw/zinc/29/77/02/1299297702.db2.gz KMGYXPRIBIOQQH-UHFFFAOYSA-N 1 2 339.830 3.434 20 30 EGEDLO Cc1nn(C)c2nc(Cl)c(C[N@@H+](C)Cc3ccc(C#N)cc3)cc12 ZINC000749902179 1299297713 /nfs/dbraw/zinc/29/77/13/1299297713.db2.gz KMGYXPRIBIOQQH-UHFFFAOYSA-N 1 2 339.830 3.434 20 30 EGEDLO C=C(C)C[N@H+](Cc1cn(C[C@H]2CCCO2)nn1)Cc1ccccc1 ZINC000877486788 1299338666 /nfs/dbraw/zinc/33/86/66/1299338666.db2.gz NLLYTKGNMJOHGB-LJQANCHMSA-N 1 2 326.444 3.035 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cn(C[C@H]2CCCO2)nn1)Cc1ccccc1 ZINC000877486788 1299338679 /nfs/dbraw/zinc/33/86/79/1299338679.db2.gz NLLYTKGNMJOHGB-LJQANCHMSA-N 1 2 326.444 3.035 20 30 EGEDLO Fc1cccc(F)c1-c1ccc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)o1 ZINC000753935372 1300044008 /nfs/dbraw/zinc/04/40/08/1300044008.db2.gz NZGCYFBOEJKXIG-HUUCEWRRSA-N 1 2 344.365 3.419 20 30 EGEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@H](C3CCOCC3)C2)nc1C1CC1 ZINC000754793201 1300216528 /nfs/dbraw/zinc/21/65/28/1300216528.db2.gz DSYUXRAVJMCBPZ-INIZCTEOSA-N 1 2 348.516 3.183 20 30 EGEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@H](C3CCOCC3)C2)nc1C1CC1 ZINC000754793201 1300216537 /nfs/dbraw/zinc/21/65/37/1300216537.db2.gz DSYUXRAVJMCBPZ-INIZCTEOSA-N 1 2 348.516 3.183 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2cccc(C)c2)CC1 ZINC000879350201 1300496451 /nfs/dbraw/zinc/49/64/51/1300496451.db2.gz YAANFABEPABBJZ-UHFFFAOYSA-N 1 2 337.261 3.098 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2cccc3[nH]ccc32)[C@@H](C#N)C1 ZINC000758034388 1300775940 /nfs/dbraw/zinc/77/59/40/1300775940.db2.gz GBTROPSNWGFHMK-YOEHRIQHSA-N 1 2 340.427 3.017 20 30 EGEDLO C[N@H+](CC(=O)Nc1ccccc1Cl)Cc1ccc(F)c(C#N)c1 ZINC000758689707 1300936623 /nfs/dbraw/zinc/93/66/23/1300936623.db2.gz RLAGXXRMIBQBHT-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO C[N@@H+](CC(=O)Nc1ccccc1Cl)Cc1ccc(F)c(C#N)c1 ZINC000758689707 1300936627 /nfs/dbraw/zinc/93/66/27/1300936627.db2.gz RLAGXXRMIBQBHT-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(F)CC1 ZINC000880241046 1300998093 /nfs/dbraw/zinc/99/80/93/1300998093.db2.gz QJRDGWKBKSTUCC-CYBMUJFWSA-N 1 2 335.448 3.311 20 30 EGEDLO Cc1nn2c(nc3ccccc3c2=O)c1=C[NH2+]Nc1cc(C)ccc1F ZINC000759665371 1301137922 /nfs/dbraw/zinc/13/79/22/1301137922.db2.gz ONUJQTFVQGEAIE-UHFFFAOYSA-N 1 2 349.369 3.378 20 30 EGEDLO Cc1ccc(NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c(C#N)n1 ZINC000882024730 1301792230 /nfs/dbraw/zinc/79/22/30/1301792230.db2.gz ZFBDNCGOOGCSMV-UHFFFAOYSA-N 1 2 335.455 3.409 20 30 EGEDLO C#CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000763960380 1301990491 /nfs/dbraw/zinc/99/04/91/1301990491.db2.gz NQUJPHOGWYJEFX-NSHDSACASA-N 1 2 325.239 3.268 20 30 EGEDLO C#CC[N@H+](CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000763960380 1301990499 /nfs/dbraw/zinc/99/04/99/1301990499.db2.gz NQUJPHOGWYJEFX-NSHDSACASA-N 1 2 325.239 3.268 20 30 EGEDLO N#Cc1c2c(cn(C[N@@H+]3CCC[C@H]3c3ccsc3)c1=O)CCC2 ZINC000766612804 1302487944 /nfs/dbraw/zinc/48/79/44/1302487944.db2.gz QLPCWTXQWBYLSH-KRWDZBQOSA-N 1 2 325.437 3.065 20 30 EGEDLO N#Cc1c2c(cn(C[N@H+]3CCC[C@H]3c3ccsc3)c1=O)CCC2 ZINC000766612804 1302487947 /nfs/dbraw/zinc/48/79/47/1302487947.db2.gz QLPCWTXQWBYLSH-KRWDZBQOSA-N 1 2 325.437 3.065 20 30 EGEDLO C#C[C@@H](C)N(C)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000767244028 1302616750 /nfs/dbraw/zinc/61/67/50/1302616750.db2.gz KNWPQQDMLWTEEF-CZUORRHYSA-N 1 2 349.272 3.066 20 30 EGEDLO CC(C)(C#N)CCCCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000768723169 1302967071 /nfs/dbraw/zinc/96/70/71/1302967071.db2.gz XKRBWRPBKGJISC-SFHVURJKSA-N 1 2 344.455 3.151 20 30 EGEDLO CC(C)(C#N)CCCCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000768723169 1302967075 /nfs/dbraw/zinc/96/70/75/1302967075.db2.gz XKRBWRPBKGJISC-SFHVURJKSA-N 1 2 344.455 3.151 20 30 EGEDLO C#CCOc1ccccc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000771934970 1303463084 /nfs/dbraw/zinc/46/30/84/1303463084.db2.gz GATQJVAXIYLMMX-OAQYLSRUSA-N 1 2 345.446 3.081 20 30 EGEDLO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1=S ZINC000773268860 1303652706 /nfs/dbraw/zinc/65/27/06/1303652706.db2.gz XBGMWXGYKXCOQV-HZPDHXFCSA-N 1 2 336.505 3.005 20 30 EGEDLO C=CCn1c(C)nn(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1=S ZINC000773268860 1303652708 /nfs/dbraw/zinc/65/27/08/1303652708.db2.gz XBGMWXGYKXCOQV-HZPDHXFCSA-N 1 2 336.505 3.005 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1csc(-c2ccccc2OC)n1)[C@@H]1CCCO1 ZINC000775801597 1304040834 /nfs/dbraw/zinc/04/08/34/1304040834.db2.gz VOBUPQQEPLXWHZ-WBVHZDCISA-N 1 2 328.437 3.089 20 30 EGEDLO C#CCOc1cccc(COC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000776087020 1304092521 /nfs/dbraw/zinc/09/25/21/1304092521.db2.gz QHJUVBJPHACLGW-UHFFFAOYSA-N 1 2 332.359 3.241 20 30 EGEDLO N#Cc1ccc(F)c(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000888354412 1304128675 /nfs/dbraw/zinc/12/86/75/1304128675.db2.gz YJRYCMPJBKXKTQ-UHFFFAOYSA-N 1 2 339.374 3.014 20 30 EGEDLO N#Cc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1Cl ZINC000777860758 1304357190 /nfs/dbraw/zinc/35/71/90/1304357190.db2.gz PQDWKKSFPXJVDU-UHFFFAOYSA-N 1 2 336.782 3.327 20 30 EGEDLO C#CCCCCCC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000779752006 1304601142 /nfs/dbraw/zinc/60/11/42/1304601142.db2.gz BIVNBESIQOLVBA-UHFFFAOYSA-N 1 2 342.483 3.232 20 30 EGEDLO Cc1ccc2[nH+]cc(C=CC(=O)c3ccc(N4CCNC4=O)cc3)n2c1 ZINC000782367310 1304963259 /nfs/dbraw/zinc/96/32/59/1304963259.db2.gz YMDRXCKKTFCZEO-FPLPWBNLSA-N 1 2 346.390 3.068 20 30 EGEDLO C=C(Br)C[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000801971856 1316973979 /nfs/dbraw/zinc/97/39/79/1316973979.db2.gz SZJUVKLNHMOKHI-UHFFFAOYSA-N 1 2 333.233 3.140 20 30 EGEDLO C=C(Br)C[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000801971856 1316973985 /nfs/dbraw/zinc/97/39/85/1316973985.db2.gz SZJUVKLNHMOKHI-UHFFFAOYSA-N 1 2 333.233 3.140 20 30 EGEDLO Cn1c(CC#N)nn(C[N@@H+]2CCCC[C@@H]2c2ccccc2)c1=S ZINC000794641829 1309562123 /nfs/dbraw/zinc/56/21/23/1309562123.db2.gz XVZTXHDADCLAMX-OAHLLOKOSA-N 1 2 327.457 3.202 20 30 EGEDLO Cn1c(CC#N)nn(C[N@H+]2CCCC[C@@H]2c2ccccc2)c1=S ZINC000794641829 1309562126 /nfs/dbraw/zinc/56/21/26/1309562126.db2.gz XVZTXHDADCLAMX-OAHLLOKOSA-N 1 2 327.457 3.202 20 30 EGEDLO COc1ccc2c(c1)CC/C(=C/c1ncc(C[NH+](C)C)s1)C2=O ZINC000794695452 1309576473 /nfs/dbraw/zinc/57/64/73/1309576473.db2.gz ONNYXWXSZBUSMK-LCYFTJDESA-N 1 2 328.437 3.426 20 30 EGEDLO COc1ccc2c(c1)C(=O)/C(=C\c1ncc(C[NH+](C)C)s1)CC2 ZINC000794698737 1309577746 /nfs/dbraw/zinc/57/77/46/1309577746.db2.gz BHHVBCSGLHNQLD-JYRVWZFOSA-N 1 2 328.437 3.426 20 30 EGEDLO O=C(/C=C/c1c[nH+]c2ccc(Cl)cn12)c1ccccc1-n1ccnn1 ZINC000794731363 1309585182 /nfs/dbraw/zinc/58/51/82/1309585182.db2.gz JLJBAGYNBPKIBT-VOTSOKGWSA-N 1 2 349.781 3.465 20 30 EGEDLO C#Cc1ccc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)cc1 ZINC000896175911 1309731960 /nfs/dbraw/zinc/73/19/60/1309731960.db2.gz XFTWSVMWTNVYBT-INIZCTEOSA-N 1 2 334.419 3.313 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@@H]3CCC4(CCCC4)O3)CCO2)c1 ZINC000801525831 1310955330 /nfs/dbraw/zinc/95/53/30/1310955330.db2.gz OYBMHLBDWADTJS-RBUKOAKNSA-N 1 2 326.440 3.423 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@@H]3CCC4(CCCC4)O3)CCO2)c1 ZINC000801525831 1310955341 /nfs/dbraw/zinc/95/53/41/1310955341.db2.gz OYBMHLBDWADTJS-RBUKOAKNSA-N 1 2 326.440 3.423 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(OC)c(C3CC3)c2)C1 ZINC000957056258 1317152418 /nfs/dbraw/zinc/15/24/18/1317152418.db2.gz MZFRHRQCGDIRFC-UHFFFAOYSA-N 1 2 328.456 3.295 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H]([NH2+]Cc3ncc(C(C)(C)C)o3)C2)CC1 ZINC001019327449 1317170549 /nfs/dbraw/zinc/17/05/49/1317170549.db2.gz DKBHBVFWPLKKFL-INIZCTEOSA-N 1 2 345.487 3.409 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc3nc(C)sc3c2)C1 ZINC000957095820 1317185255 /nfs/dbraw/zinc/18/52/55/1317185255.db2.gz RJUWHSYRIRGKCU-UHFFFAOYSA-N 1 2 329.469 3.327 20 30 EGEDLO Fc1ccc(N[NH+]=Cc2cnc(N3CCOCC3)s2)c(Cl)c1 ZINC000901320388 1317404356 /nfs/dbraw/zinc/40/43/56/1317404356.db2.gz NZQCSNRDPIINDT-UHFFFAOYSA-N 1 2 340.811 3.218 20 30 EGEDLO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000805763043 1317419025 /nfs/dbraw/zinc/41/90/25/1317419025.db2.gz WFIPAIDIGWHCEB-MRXNPFEDSA-N 1 2 333.407 3.140 20 30 EGEDLO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000805763043 1317419031 /nfs/dbraw/zinc/41/90/31/1317419031.db2.gz WFIPAIDIGWHCEB-MRXNPFEDSA-N 1 2 333.407 3.140 20 30 EGEDLO Cc1[nH]c(/C=C\C(=O)c2ccc(NC(=O)NC(C)C)cc2)[nH+]c1C ZINC000901457432 1317429503 /nfs/dbraw/zinc/42/95/03/1317429503.db2.gz LFFHWMXOSXEVEV-KTKRTIGZSA-N 1 2 326.400 3.453 20 30 EGEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3cccc(-n4ccnn4)c3)n21 ZINC000806576246 1317505213 /nfs/dbraw/zinc/50/52/13/1317505213.db2.gz XWSJJZOLNNMTDL-CMDGGOBGSA-N 1 2 329.363 3.120 20 30 EGEDLO COc1ccc2c(c1F)C/C(=C\c1ncc(C[NH+](C)C)s1)C2=O ZINC000809157188 1317776807 /nfs/dbraw/zinc/77/68/07/1317776807.db2.gz QZPJMZFRVCXAQK-JXMROGBWSA-N 1 2 332.400 3.175 20 30 EGEDLO Cn1c[nH+]cc1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000809872580 1317911593 /nfs/dbraw/zinc/91/15/93/1317911593.db2.gz HYKMLHBETUEHOW-IBGZPJMESA-N 1 2 345.406 3.397 20 30 EGEDLO CCOc1cc(CO[NH+]=C(N)c2ccc(F)c(C)c2)ccc1[N+](=O)[O-] ZINC000809995278 1317933961 /nfs/dbraw/zinc/93/39/61/1317933961.db2.gz OOZQHJKQYJTWBF-UHFFFAOYSA-N 1 2 347.346 3.278 20 30 EGEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccn3cc[nH+]c3c2)c1 ZINC000810231448 1317980862 /nfs/dbraw/zinc/98/08/62/1317980862.db2.gz BSTPPPKKAXIHKX-INIZCTEOSA-N 1 2 349.394 3.337 20 30 EGEDLO N#Cc1cccc(COC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000810576697 1318025765 /nfs/dbraw/zinc/02/57/65/1318025765.db2.gz RELRKTQQNXAIKQ-UHFFFAOYSA-N 1 2 331.375 3.089 20 30 EGEDLO C[C@H](c1cccc(NC(=O)c2ccsc2C#N)c1)[NH+]1CCOCC1 ZINC000906576796 1318119680 /nfs/dbraw/zinc/11/96/80/1318119680.db2.gz VHHPNWSKCGDNNX-CYBMUJFWSA-N 1 2 341.436 3.265 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)cn1 ZINC000907815201 1318263898 /nfs/dbraw/zinc/26/38/98/1318263898.db2.gz JEFXIZBZTJQGQG-KRWDZBQOSA-N 1 2 348.450 3.121 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)cn1 ZINC000907815201 1318263905 /nfs/dbraw/zinc/26/39/05/1318263905.db2.gz JEFXIZBZTJQGQG-KRWDZBQOSA-N 1 2 348.450 3.121 20 30 EGEDLO CC(=[NH+]Nc1ccc2c(cc[nH]c2=O)c1)c1cc(F)c(N)c(F)c1 ZINC000814924719 1318850377 /nfs/dbraw/zinc/85/03/77/1318850377.db2.gz YZOSXWMQWXDTGR-UHFFFAOYSA-N 1 2 328.322 3.225 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1csc(C)n1 ZINC000960785418 1318886075 /nfs/dbraw/zinc/88/60/75/1318886075.db2.gz FYMWZXWPBBPLRP-INIZCTEOSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1csc(C)n1 ZINC000960785418 1318886080 /nfs/dbraw/zinc/88/60/80/1318886080.db2.gz FYMWZXWPBBPLRP-INIZCTEOSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccon1)c1ccccc1 ZINC000961036029 1319160329 /nfs/dbraw/zinc/16/03/29/1319160329.db2.gz WKQXGFUTSGTLPS-MOPGFXCFSA-N 1 2 339.439 3.067 20 30 EGEDLO C=C[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccon1)c1ccccc1 ZINC000961036029 1319160333 /nfs/dbraw/zinc/16/03/33/1319160333.db2.gz WKQXGFUTSGTLPS-MOPGFXCFSA-N 1 2 339.439 3.067 20 30 EGEDLO CC(C)CC[C@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000914596208 1319352335 /nfs/dbraw/zinc/35/23/35/1319352335.db2.gz FORKZWSEDTUCBC-AWEZNQCLSA-N 1 2 340.471 3.471 20 30 EGEDLO Fc1cc2nc(N=NC3CCN(c4cccc[nH+]4)CC3)[nH]c2cc1F ZINC000915958874 1319571519 /nfs/dbraw/zinc/57/15/19/1319571519.db2.gz AXUIXLVEDQRDKC-UHFFFAOYSA-N 1 2 342.353 3.304 20 30 EGEDLO COc1cc(C#N)ccc1OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000916369932 1319647691 /nfs/dbraw/zinc/64/76/91/1319647691.db2.gz RMFHMNFNVGYUJB-UHFFFAOYSA-N 1 2 333.347 3.031 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NCCOc1ccc2c(c1)OCO2 ZINC000820630099 1319925321 /nfs/dbraw/zinc/92/53/21/1319925321.db2.gz RQSZXAMHOWKSMK-UHFFFAOYSA-N 1 2 340.379 3.093 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H]1COC2(CCCCC2)O1 ZINC000820681342 1319932841 /nfs/dbraw/zinc/93/28/41/1319932841.db2.gz IJHFLTRWKSSQFN-MRXNPFEDSA-N 1 2 330.428 3.362 20 30 EGEDLO CCOc1cc(-c2noc([C@@H]([NH3+])CCCC#N)n2)cc(Cl)c1O ZINC000823052821 1320150043 /nfs/dbraw/zinc/15/00/43/1320150043.db2.gz XKCRWMTZWCDWRB-NSHDSACASA-N 1 2 336.779 3.188 20 30 EGEDLO O=C(C#Cc1cccs1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000825390010 1320333739 /nfs/dbraw/zinc/33/37/39/1320333739.db2.gz XFXMXFCSZPMHNP-UHFFFAOYSA-N 1 2 331.466 3.181 20 30 EGEDLO C[C@@]1(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1(Cl)Cl ZINC000827374634 1320448748 /nfs/dbraw/zinc/44/87/48/1320448748.db2.gz ZPOIOMGULMXPHX-INIZCTEOSA-N 1 2 338.282 3.260 20 30 EGEDLO C=CCN1CCN(C[NH+]2CCC(=Cc3cccc(OC)c3)CC2)C1=O ZINC000840025020 1321014510 /nfs/dbraw/zinc/01/45/10/1321014510.db2.gz HUZLIIMGRLPUNP-UHFFFAOYSA-N 1 2 341.455 3.056 20 30 EGEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1C[C@](C)(Cc2ccccc2)CC1=O ZINC000842596678 1321405573 /nfs/dbraw/zinc/40/55/73/1321405573.db2.gz PUNHNFUHOCQWRQ-JOCHJYFZSA-N 1 2 347.462 3.429 20 30 EGEDLO C[N@H+](Cc1cccc(C#N)c1)CN1C[C@](C)(Cc2ccccc2)CC1=O ZINC000842596678 1321405577 /nfs/dbraw/zinc/40/55/77/1321405577.db2.gz PUNHNFUHOCQWRQ-JOCHJYFZSA-N 1 2 347.462 3.429 20 30 EGEDLO CC(C)(C#N)c1ccc(C(=O)OCC2CN(c3cccc[nH+]3)C2)cc1 ZINC000842886463 1321443715 /nfs/dbraw/zinc/44/37/15/1321443715.db2.gz IJUAGBJQGBUQBD-UHFFFAOYSA-N 1 2 335.407 3.176 20 30 EGEDLO C[C@H](CC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)n1cc[nH+]c1 ZINC000845463069 1321710342 /nfs/dbraw/zinc/71/03/42/1321710342.db2.gz QWQUWFMOSLGVTG-PWSUYJOCSA-N 1 2 328.372 3.459 20 30 EGEDLO C=CCCn1cc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)nn1 ZINC000846765964 1321806422 /nfs/dbraw/zinc/80/64/22/1321806422.db2.gz GUUOJCIBJRQBPZ-UHFFFAOYSA-N 1 2 339.487 3.477 20 30 EGEDLO C=CCCn1cc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)nn1 ZINC000846765964 1321806424 /nfs/dbraw/zinc/80/64/24/1321806424.db2.gz GUUOJCIBJRQBPZ-UHFFFAOYSA-N 1 2 339.487 3.477 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930923771 1329008954 /nfs/dbraw/zinc/00/89/54/1329008954.db2.gz QPPXEGANYZCMTF-LLVKDONJSA-N 1 2 338.205 3.483 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930923771 1329008958 /nfs/dbraw/zinc/00/89/58/1329008958.db2.gz QPPXEGANYZCMTF-LLVKDONJSA-N 1 2 338.205 3.483 20 30 EGEDLO C#CC[C@@H](NC(=O)N1CCC(Nc2cccc[nH+]2)CC1)c1ccccc1 ZINC000921665904 1322374129 /nfs/dbraw/zinc/37/41/29/1322374129.db2.gz KPBNOXUTDZAETD-LJQANCHMSA-N 1 2 348.450 3.432 20 30 EGEDLO COc1ccccc1[C@H]([NH2+][C@@H](C)CC(C)(C)C#N)c1nccn1C ZINC000924624161 1323080937 /nfs/dbraw/zinc/08/09/37/1323080937.db2.gz QVKFAFFZURHZMZ-YOEHRIQHSA-N 1 2 326.444 3.436 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccco2)cc1F ZINC001024303410 1323286792 /nfs/dbraw/zinc/28/67/92/1323286792.db2.gz LOXONZIUECDKLS-MRXNPFEDSA-N 1 2 341.386 3.075 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccco2)cc1F ZINC001024303410 1323286801 /nfs/dbraw/zinc/28/68/01/1323286801.db2.gz LOXONZIUECDKLS-MRXNPFEDSA-N 1 2 341.386 3.075 20 30 EGEDLO O=C(NC[C@@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1)c1ccoc1 ZINC001024331565 1323318382 /nfs/dbraw/zinc/31/83/82/1323318382.db2.gz KXAMOUNMOJKRLA-IBGZPJMESA-N 1 2 340.398 3.055 20 30 EGEDLO O=C(NC[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(F)cc1)c1ccoc1 ZINC001024331565 1323318386 /nfs/dbraw/zinc/31/83/86/1323318386.db2.gz KXAMOUNMOJKRLA-IBGZPJMESA-N 1 2 340.398 3.055 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2nc(C)oc2c1 ZINC001024491948 1323443469 /nfs/dbraw/zinc/44/34/69/1323443469.db2.gz IGZZOZZVVXSWHI-HNNXBMFYSA-N 1 2 347.846 3.473 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2nc(C)oc2c1 ZINC001024491948 1323443481 /nfs/dbraw/zinc/44/34/81/1323443481.db2.gz IGZZOZZVVXSWHI-HNNXBMFYSA-N 1 2 347.846 3.473 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc2c1O[C@@H](C)C2 ZINC001024561157 1323500655 /nfs/dbraw/zinc/50/06/55/1323500655.db2.gz LJAJWUSARWOQJJ-GOEBONIOSA-N 1 2 348.874 3.347 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc2c1O[C@@H](C)C2 ZINC001024561157 1323500662 /nfs/dbraw/zinc/50/06/62/1323500662.db2.gz LJAJWUSARWOQJJ-GOEBONIOSA-N 1 2 348.874 3.347 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc2c1O[C@H](C)C2 ZINC001024561163 1323501359 /nfs/dbraw/zinc/50/13/59/1323501359.db2.gz LJAJWUSARWOQJJ-ZBFHGGJFSA-N 1 2 348.874 3.347 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc2c1O[C@H](C)C2 ZINC001024561163 1323501363 /nfs/dbraw/zinc/50/13/63/1323501363.db2.gz LJAJWUSARWOQJJ-ZBFHGGJFSA-N 1 2 348.874 3.347 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001024640926 1323566341 /nfs/dbraw/zinc/56/63/41/1323566341.db2.gz CISPKMNJAANBIM-QLFBSQMISA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001024640926 1323566345 /nfs/dbraw/zinc/56/63/45/1323566345.db2.gz CISPKMNJAANBIM-QLFBSQMISA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccncc1Cl ZINC001024679010 1323591540 /nfs/dbraw/zinc/59/15/40/1323591540.db2.gz RNRQVNDTVBOJSV-LBPRGKRZSA-N 1 2 328.243 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccncc1Cl ZINC001024679010 1323591544 /nfs/dbraw/zinc/59/15/44/1323591544.db2.gz RNRQVNDTVBOJSV-LBPRGKRZSA-N 1 2 328.243 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1nc(C2CC2)oc1C ZINC001024737423 1323637783 /nfs/dbraw/zinc/63/77/83/1323637783.db2.gz IQCSHABFEHWQFV-CQSZACIVSA-N 1 2 337.851 3.197 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1nc(C2CC2)oc1C ZINC001024737423 1323637789 /nfs/dbraw/zinc/63/77/89/1323637789.db2.gz IQCSHABFEHWQFV-CQSZACIVSA-N 1 2 337.851 3.197 20 30 EGEDLO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnc(-c2ccco2)s1 ZINC001024769667 1323669436 /nfs/dbraw/zinc/66/94/36/1323669436.db2.gz KQPIADFJKUVRKQ-CQSZACIVSA-N 1 2 343.452 3.011 20 30 EGEDLO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cnc(-c2ccco2)s1 ZINC001024769667 1323669445 /nfs/dbraw/zinc/66/94/45/1323669445.db2.gz KQPIADFJKUVRKQ-CQSZACIVSA-N 1 2 343.452 3.011 20 30 EGEDLO Cc1ccc(F)cc1N[NH+]=Cc1c(Cl)nc(N)nc1N1CCCC1 ZINC000853393915 1325088141 /nfs/dbraw/zinc/08/81/41/1325088141.db2.gz UZEIPYMHICOVIG-UHFFFAOYSA-N 1 2 348.813 3.206 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NCc1c(CC)nn(C)c1CC ZINC000853456816 1325095775 /nfs/dbraw/zinc/09/57/75/1325095775.db2.gz CVOSQHPPJCKMTG-UHFFFAOYSA-N 1 2 326.444 3.344 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)CN1Cc2cc(F)c(F)cc2C1=O ZINC000853506093 1325106524 /nfs/dbraw/zinc/10/65/24/1325106524.db2.gz GOWSHWMFAULKGT-UHFFFAOYSA-N 1 2 332.350 3.202 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)CN1Cc2cc(F)c(F)cc2C1=O ZINC000853506093 1325106531 /nfs/dbraw/zinc/10/65/31/1325106531.db2.gz GOWSHWMFAULKGT-UHFFFAOYSA-N 1 2 332.350 3.202 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ncc(C)s2)C1 ZINC001027519847 1327791866 /nfs/dbraw/zinc/79/18/66/1327791866.db2.gz XPPGMITZLSOMRL-OAHLLOKOSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ncc(C)s2)C1 ZINC001027519847 1327791875 /nfs/dbraw/zinc/79/18/75/1327791875.db2.gz XPPGMITZLSOMRL-OAHLLOKOSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2nsc3ccccc32)C1 ZINC000966296966 1328258299 /nfs/dbraw/zinc/25/82/99/1328258299.db2.gz KQWVSBTYDNFYBV-FZMZJTMJSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2nsc3ccccc32)C1 ZINC000966296966 1328258306 /nfs/dbraw/zinc/25/83/06/1328258306.db2.gz KQWVSBTYDNFYBV-FZMZJTMJSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(OCCC)c1 ZINC001027916598 1328395153 /nfs/dbraw/zinc/39/51/53/1328395153.db2.gz PPVCKHUHWNKEJM-MRXNPFEDSA-N 1 2 336.863 3.422 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(OCCC)c1 ZINC001027916598 1328395162 /nfs/dbraw/zinc/39/51/62/1328395162.db2.gz PPVCKHUHWNKEJM-MRXNPFEDSA-N 1 2 336.863 3.422 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)c(F)cc1F ZINC001027960691 1328430642 /nfs/dbraw/zinc/43/06/42/1328430642.db2.gz GRVGKUFCDWRVHO-GFCCVEGCSA-N 1 2 328.790 3.220 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)c(F)cc1F ZINC001027960691 1328430644 /nfs/dbraw/zinc/43/06/44/1328430644.db2.gz GRVGKUFCDWRVHO-GFCCVEGCSA-N 1 2 328.790 3.220 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2cc(C)ccc2O1 ZINC001028025372 1328489981 /nfs/dbraw/zinc/48/99/81/1328489981.db2.gz ITXRIVKEBBSYAZ-SJLPKXTDSA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2cc(C)ccc2O1 ZINC001028025372 1328489984 /nfs/dbraw/zinc/48/99/84/1328489984.db2.gz ITXRIVKEBBSYAZ-SJLPKXTDSA-N 1 2 348.874 3.022 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000862324434 1329475559 /nfs/dbraw/zinc/47/55/59/1329475559.db2.gz MMAKQYSCFXUIEW-DOTOQJQBSA-N 1 2 340.427 3.017 20 30 EGEDLO C=CCOc1c(Cl)cc(C[NH+]2CC(c3nc(C)no3)C2)cc1OC ZINC000862388635 1329481703 /nfs/dbraw/zinc/48/17/03/1329481703.db2.gz FTDFFQJBGDGUKC-UHFFFAOYSA-N 1 2 349.818 3.204 20 30 EGEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000862506521 1329491702 /nfs/dbraw/zinc/49/17/02/1329491702.db2.gz AWQJELRHVQHTRQ-AWEZNQCLSA-N 1 2 334.423 3.203 20 30 EGEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000862506521 1329491704 /nfs/dbraw/zinc/49/17/04/1329491704.db2.gz AWQJELRHVQHTRQ-AWEZNQCLSA-N 1 2 334.423 3.203 20 30 EGEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](C#N)C2)sc2c1CCCC2 ZINC000932159937 1329789812 /nfs/dbraw/zinc/78/98/12/1329789812.db2.gz BCTKRUNQXKXOFO-ZDUSSCGKSA-N 1 2 342.468 3.063 20 30 EGEDLO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](C#N)C2)sc2c1CCCC2 ZINC000932159937 1329789813 /nfs/dbraw/zinc/78/98/13/1329789813.db2.gz BCTKRUNQXKXOFO-ZDUSSCGKSA-N 1 2 342.468 3.063 20 30 EGEDLO CSCC1CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000932590871 1329825346 /nfs/dbraw/zinc/82/53/46/1329825346.db2.gz SBSWESZHHOYYTM-GFCCVEGCSA-N 1 2 335.473 3.170 20 30 EGEDLO C#Cc1ccc(C(=O)N2CCC[C@H](CCNc3cc[nH+]c(C)n3)C2)cc1 ZINC001063290659 1351797815 /nfs/dbraw/zinc/79/78/15/1351797815.db2.gz ITTCAERUSGGXSS-GOSISDBHSA-N 1 2 348.450 3.121 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001063294468 1351799933 /nfs/dbraw/zinc/79/99/33/1351799933.db2.gz CTIKZPDMEHRYNK-QFBILLFUSA-N 1 2 330.476 3.428 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CC2CCC2)C[C@@H]1C ZINC000947162902 1333030815 /nfs/dbraw/zinc/03/08/15/1333030815.db2.gz NKQCFUNFZAKLBA-JSGCOSHPSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CC2CCC2)C[C@@H]1C ZINC000947162902 1333030820 /nfs/dbraw/zinc/03/08/20/1333030820.db2.gz NKQCFUNFZAKLBA-JSGCOSHPSA-N 1 2 329.282 3.054 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)C2=CCCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947185438 1333041304 /nfs/dbraw/zinc/04/13/04/1333041304.db2.gz MJNDVCORWYLMDT-LIRRHRJNSA-N 1 2 341.430 3.277 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)C2=CCCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947185438 1333041305 /nfs/dbraw/zinc/04/13/05/1333041305.db2.gz MJNDVCORWYLMDT-LIRRHRJNSA-N 1 2 341.430 3.277 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1c(C)coc1C ZINC000948916584 1333732979 /nfs/dbraw/zinc/73/29/79/1333732979.db2.gz ZUHGYCDYQNAILV-LJQANCHMSA-N 1 2 336.435 3.249 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1c(C)coc1C ZINC000948916584 1333732983 /nfs/dbraw/zinc/73/29/83/1333732983.db2.gz ZUHGYCDYQNAILV-LJQANCHMSA-N 1 2 336.435 3.249 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cccc(F)c1C ZINC000948919392 1333733518 /nfs/dbraw/zinc/73/35/18/1333733518.db2.gz GIPRJJOUSSYPFP-FQEVSTJZSA-N 1 2 336.410 3.097 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cccc(F)c1C ZINC000948919392 1333733520 /nfs/dbraw/zinc/73/35/20/1333733520.db2.gz GIPRJJOUSSYPFP-FQEVSTJZSA-N 1 2 336.410 3.097 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1c(C)cncc1C ZINC000948936202 1333740868 /nfs/dbraw/zinc/74/08/68/1333740868.db2.gz MSEQDRKGEOGGMP-FQEVSTJZSA-N 1 2 347.462 3.051 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1c(C)cncc1C ZINC000948936202 1333740869 /nfs/dbraw/zinc/74/08/69/1333740869.db2.gz MSEQDRKGEOGGMP-FQEVSTJZSA-N 1 2 347.462 3.051 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1c(C)oc(C)c1C ZINC000948936694 1333741301 /nfs/dbraw/zinc/74/13/01/1333741301.db2.gz XWRGETUCSRSNCF-IBGZPJMESA-N 1 2 336.435 3.167 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1c(C)oc(C)c1C ZINC000948936694 1333741302 /nfs/dbraw/zinc/74/13/02/1333741302.db2.gz XWRGETUCSRSNCF-IBGZPJMESA-N 1 2 336.435 3.167 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc2ncccc2o1 ZINC000948936799 1333741418 /nfs/dbraw/zinc/74/14/18/1333741418.db2.gz ZJMCFVDFOURTKS-SFHVURJKSA-N 1 2 347.418 3.343 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc2ncccc2o1 ZINC000948936799 1333741421 /nfs/dbraw/zinc/74/14/21/1333741421.db2.gz ZJMCFVDFOURTKS-SFHVURJKSA-N 1 2 347.418 3.343 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc[nH]c1C1CCC1 ZINC000948959210 1333748793 /nfs/dbraw/zinc/74/87/93/1333748793.db2.gz VIRMVRCGZJKVMD-HXUWFJFHSA-N 1 2 347.462 3.245 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc[nH]c1C1CCC1 ZINC000948959210 1333748795 /nfs/dbraw/zinc/74/87/95/1333748795.db2.gz VIRMVRCGZJKVMD-HXUWFJFHSA-N 1 2 347.462 3.245 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC2(CC1)C[N@H+](C[C@H](F)CC)CCO2 ZINC000949463476 1333854232 /nfs/dbraw/zinc/85/42/32/1333854232.db2.gz NUJJHZASPHYZHH-SJLPKXTDSA-N 1 2 340.483 3.030 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC2(CC1)C[N@@H+](C[C@H](F)CC)CCO2 ZINC000949463476 1333854233 /nfs/dbraw/zinc/85/42/33/1333854233.db2.gz NUJJHZASPHYZHH-SJLPKXTDSA-N 1 2 340.483 3.030 20 30 EGEDLO C=C1CCC(C(=O)N2CC[NH+](Cc3ccc(OC)c(C)c3)CC2)CC1 ZINC000950047451 1334001607 /nfs/dbraw/zinc/00/16/07/1334001607.db2.gz XENDZWFNKHRYNW-UHFFFAOYSA-N 1 2 342.483 3.394 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[NH+](CC[C@H]3CC3(Cl)Cl)CC2)C1 ZINC000950383459 1334056736 /nfs/dbraw/zinc/05/67/36/1334056736.db2.gz YVDLLTFTRAWKMX-ZDUSSCGKSA-N 1 2 331.287 3.071 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC000951716093 1334307064 /nfs/dbraw/zinc/30/70/64/1334307064.db2.gz RXAPQZZBSGRONF-HUUCEWRRSA-N 1 2 334.410 3.177 20 30 EGEDLO C=C(C)CC[NH+]1CC(N(CC)C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000952378162 1334440755 /nfs/dbraw/zinc/44/07/55/1334440755.db2.gz CBFUPCZXJVHCTG-UHFFFAOYSA-N 1 2 338.455 3.189 20 30 EGEDLO Cc1coc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@@H]2C)c1 ZINC000967892807 1335825348 /nfs/dbraw/zinc/82/53/48/1335825348.db2.gz DFFGKAKFRUCULY-YJBOKZPZSA-N 1 2 337.423 3.100 20 30 EGEDLO Cc1coc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3C#N)CC[C@@H]2C)c1 ZINC000967892807 1335825351 /nfs/dbraw/zinc/82/53/51/1335825351.db2.gz DFFGKAKFRUCULY-YJBOKZPZSA-N 1 2 337.423 3.100 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(OC)cc2C)C1 ZINC000968133958 1335860137 /nfs/dbraw/zinc/86/01/37/1335860137.db2.gz WCDMRJKICDUGAD-PXAZEXFGSA-N 1 2 336.863 3.196 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(OC)cc2C)C1 ZINC000968133958 1335860141 /nfs/dbraw/zinc/86/01/41/1335860141.db2.gz WCDMRJKICDUGAD-PXAZEXFGSA-N 1 2 336.863 3.196 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](CC=C(Cl)Cl)CC[C@H]2C)C1 ZINC000968275855 1335882599 /nfs/dbraw/zinc/88/25/99/1335882599.db2.gz TUTBTPZPPAEFKG-OLZOCXBDSA-N 1 2 331.287 3.488 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](CC=C(Cl)Cl)CC[C@H]2C)C1 ZINC000968275855 1335882604 /nfs/dbraw/zinc/88/26/04/1335882604.db2.gz TUTBTPZPPAEFKG-OLZOCXBDSA-N 1 2 331.287 3.488 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](Cc3csc(C)n3)CC[C@@H]2C)C1 ZINC000968272045 1335881675 /nfs/dbraw/zinc/88/16/75/1335881675.db2.gz DMBDKQRMKQDBCL-BBRMVZONSA-N 1 2 333.501 3.134 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](Cc3csc(C)n3)CC[C@@H]2C)C1 ZINC000968272045 1335881676 /nfs/dbraw/zinc/88/16/76/1335881676.db2.gz DMBDKQRMKQDBCL-BBRMVZONSA-N 1 2 333.501 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C)c(F)c2F)C1 ZINC000968346393 1335896312 /nfs/dbraw/zinc/89/63/12/1335896312.db2.gz URCDYGVWEOVSRS-QMTHXVAHSA-N 1 2 342.817 3.466 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C)c(F)c2F)C1 ZINC000968346393 1335896314 /nfs/dbraw/zinc/89/63/14/1335896314.db2.gz URCDYGVWEOVSRS-QMTHXVAHSA-N 1 2 342.817 3.466 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc3c2ccn3C)C1 ZINC000968423190 1335925838 /nfs/dbraw/zinc/92/58/38/1335925838.db2.gz PGEAAMBVJLANAA-GUYCJALGSA-N 1 2 345.874 3.371 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc3c2ccn3C)C1 ZINC000968423190 1335925841 /nfs/dbraw/zinc/92/58/41/1335925841.db2.gz PGEAAMBVJLANAA-GUYCJALGSA-N 1 2 345.874 3.371 20 30 EGEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C(C)(C)C ZINC000968574869 1335967512 /nfs/dbraw/zinc/96/75/12/1335967512.db2.gz OLCLUJDJFJBRMA-CXAGYDPISA-N 1 2 331.435 3.070 20 30 EGEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C(C)(C)C ZINC000968574869 1335967515 /nfs/dbraw/zinc/96/75/15/1335967515.db2.gz OLCLUJDJFJBRMA-CXAGYDPISA-N 1 2 331.435 3.070 20 30 EGEDLO C[C@H](NC(=O)C1CCCCC1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969218656 1336179928 /nfs/dbraw/zinc/17/99/28/1336179928.db2.gz AVYPLQWSCDYIMI-AWEZNQCLSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC000970078847 1336276997 /nfs/dbraw/zinc/27/69/97/1336276997.db2.gz HSRMKTHBLBMINZ-HNNXBMFYSA-N 1 2 343.858 3.280 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC000970162790 1336286578 /nfs/dbraw/zinc/28/65/78/1336286578.db2.gz YTOQQNXTKMMJFO-LBPRGKRZSA-N 1 2 327.255 3.451 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(F)c(Cl)cc2F)C1 ZINC000970347861 1336296169 /nfs/dbraw/zinc/29/61/69/1336296169.db2.gz DMNPDWCPIFTIJO-VIFPVBQESA-N 1 2 349.208 3.421 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnoc2-c2ccccc2)C1 ZINC000970668395 1336331458 /nfs/dbraw/zinc/33/14/58/1336331458.db2.gz NVXBMCSQOUMBHT-ZDUSSCGKSA-N 1 2 345.830 3.144 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)C1CC1 ZINC001007038826 1336630450 /nfs/dbraw/zinc/63/04/50/1336630450.db2.gz XFPGSJYBTIYHCX-BEFAXECRSA-N 1 2 344.886 3.318 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)C1CC1 ZINC001007038826 1336630454 /nfs/dbraw/zinc/63/04/54/1336630454.db2.gz XFPGSJYBTIYHCX-BEFAXECRSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3cc(OC)ccc32)C1 ZINC001007458003 1336651202 /nfs/dbraw/zinc/65/12/02/1336651202.db2.gz CZSDPFQAKZNCKX-QAPCUYQASA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3cc(OC)ccc32)C1 ZINC001007458003 1336651205 /nfs/dbraw/zinc/65/12/05/1336651205.db2.gz CZSDPFQAKZNCKX-QAPCUYQASA-N 1 2 348.874 3.058 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001007467927 1336653065 /nfs/dbraw/zinc/65/30/65/1336653065.db2.gz CFZINUXNUZDPBE-RHSMWYFYSA-N 1 2 347.409 3.074 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001007467927 1336653068 /nfs/dbraw/zinc/65/30/68/1336653068.db2.gz CFZINUXNUZDPBE-RHSMWYFYSA-N 1 2 347.409 3.074 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cccc3cnccc32)C1 ZINC001007652372 1336684435 /nfs/dbraw/zinc/68/44/35/1336684435.db2.gz WSINNFFLVILGFC-QGZVFWFLSA-N 1 2 343.858 3.110 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2cccc3cnccc32)C1 ZINC001007652372 1336684436 /nfs/dbraw/zinc/68/44/36/1336684436.db2.gz WSINNFFLVILGFC-QGZVFWFLSA-N 1 2 343.858 3.110 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cccc([C@@H]3CCOC3)c2)C1 ZINC001007701025 1336689098 /nfs/dbraw/zinc/68/90/98/1336689098.db2.gz XJSWNYGQEIBFFE-MSOLQXFVSA-N 1 2 348.874 3.137 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cccc([C@@H]3CCOC3)c2)C1 ZINC001007701025 1336689100 /nfs/dbraw/zinc/68/91/00/1336689100.db2.gz XJSWNYGQEIBFFE-MSOLQXFVSA-N 1 2 348.874 3.137 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001008221712 1336796286 /nfs/dbraw/zinc/79/62/86/1336796286.db2.gz ZYRDOYDXIBYMDS-LJQANCHMSA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001008221712 1336796292 /nfs/dbraw/zinc/79/62/92/1336796292.db2.gz ZYRDOYDXIBYMDS-LJQANCHMSA-N 1 2 337.467 3.219 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3nc(C)c(C)s3)C2)C1 ZINC001008438251 1336853316 /nfs/dbraw/zinc/85/33/16/1336853316.db2.gz VDZUKTYAXFPMFU-HNNXBMFYSA-N 1 2 333.501 3.197 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3nc(C)c(C)s3)C2)C1 ZINC001008438251 1336853317 /nfs/dbraw/zinc/85/33/17/1336853317.db2.gz VDZUKTYAXFPMFU-HNNXBMFYSA-N 1 2 333.501 3.197 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(N3CC=CC3)c2)C1 ZINC001008701478 1336913724 /nfs/dbraw/zinc/91/37/24/1336913724.db2.gz AREUZKGDSDYNRJ-QGZVFWFLSA-N 1 2 345.874 3.010 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(N3CC=CC3)c2)C1 ZINC001008701478 1336913726 /nfs/dbraw/zinc/91/37/26/1336913726.db2.gz AREUZKGDSDYNRJ-QGZVFWFLSA-N 1 2 345.874 3.010 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H](C)c2ccc(F)cc2F)C1 ZINC001009586363 1337041863 /nfs/dbraw/zinc/04/18/63/1337041863.db2.gz KAWNWIKDYULAQA-OCCSQVGLSA-N 1 2 342.817 3.401 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)c2ccc(F)cc2F)C1 ZINC001009586363 1337041867 /nfs/dbraw/zinc/04/18/67/1337041867.db2.gz KAWNWIKDYULAQA-OCCSQVGLSA-N 1 2 342.817 3.401 20 30 EGEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)c1ccccc1 ZINC001009967775 1337126142 /nfs/dbraw/zinc/12/61/42/1337126142.db2.gz VWDZWTNVMHSQBP-LJQANCHMSA-N 1 2 338.838 3.196 20 30 EGEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)c1ccccc1 ZINC001009967775 1337126145 /nfs/dbraw/zinc/12/61/45/1337126145.db2.gz VWDZWTNVMHSQBP-LJQANCHMSA-N 1 2 338.838 3.196 20 30 EGEDLO Cc1cscc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010472498 1337202799 /nfs/dbraw/zinc/20/27/99/1337202799.db2.gz PUWKRADIIRGPBX-QGZVFWFLSA-N 1 2 342.439 3.051 20 30 EGEDLO Cc1cscc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010472498 1337202802 /nfs/dbraw/zinc/20/28/02/1337202802.db2.gz PUWKRADIIRGPBX-QGZVFWFLSA-N 1 2 342.439 3.051 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2coc3ccc(C)cc23)C1 ZINC001014604707 1337844768 /nfs/dbraw/zinc/84/47/68/1337844768.db2.gz QRRHULXPMIGTKI-HNNXBMFYSA-N 1 2 332.831 3.227 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2coc3ccc(C)cc23)C1 ZINC001014604707 1337844772 /nfs/dbraw/zinc/84/47/72/1337844772.db2.gz QRRHULXPMIGTKI-HNNXBMFYSA-N 1 2 332.831 3.227 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC001014945322 1337962234 /nfs/dbraw/zinc/96/22/34/1337962234.db2.gz ILZGRZZBPFZTPT-UPJWGTAASA-N 1 2 338.801 3.298 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC001014945322 1337962238 /nfs/dbraw/zinc/96/22/38/1337962238.db2.gz ILZGRZZBPFZTPT-UPJWGTAASA-N 1 2 338.801 3.298 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC001014948707 1337963409 /nfs/dbraw/zinc/96/34/09/1337963409.db2.gz TYVSUCXTWIFOKX-YNEHKIRRSA-N 1 2 336.785 3.074 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC001014948707 1337963412 /nfs/dbraw/zinc/96/34/12/1337963412.db2.gz TYVSUCXTWIFOKX-YNEHKIRRSA-N 1 2 336.785 3.074 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cccc(C(F)F)c2)C1 ZINC001015244885 1338070419 /nfs/dbraw/zinc/07/04/19/1338070419.db2.gz DHXFFSXXLPIFRG-AWEZNQCLSA-N 1 2 328.790 3.110 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cccc(C(F)F)c2)C1 ZINC001015244885 1338070423 /nfs/dbraw/zinc/07/04/23/1338070423.db2.gz DHXFFSXXLPIFRG-AWEZNQCLSA-N 1 2 328.790 3.110 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c2cccc3Cl)C1 ZINC001015301251 1338090494 /nfs/dbraw/zinc/09/04/94/1338090494.db2.gz SVBRUKSZCVZOID-DOMZBBRYSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c2cccc3Cl)C1 ZINC001015301251 1338090498 /nfs/dbraw/zinc/09/04/98/1338090498.db2.gz SVBRUKSZCVZOID-DOMZBBRYSA-N 1 2 339.266 3.313 20 30 EGEDLO Cc1ccc(F)cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001015440005 1338142790 /nfs/dbraw/zinc/14/27/90/1338142790.db2.gz DWRYKOXBJRFRFS-GOSISDBHSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1ccc(F)cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001015440005 1338142793 /nfs/dbraw/zinc/14/27/93/1338142793.db2.gz DWRYKOXBJRFRFS-GOSISDBHSA-N 1 2 337.398 3.010 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(C)C)nc2CC)C1 ZINC001015718975 1338272140 /nfs/dbraw/zinc/27/21/40/1338272140.db2.gz DOVNQVSYXPXSNS-CQSZACIVSA-N 1 2 335.879 3.324 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(C)C)nc2CC)C1 ZINC001015718975 1338272143 /nfs/dbraw/zinc/27/21/43/1338272143.db2.gz DOVNQVSYXPXSNS-CQSZACIVSA-N 1 2 335.879 3.324 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H](F)c3ccccc3)C2)s1 ZINC001015768912 1338301965 /nfs/dbraw/zinc/30/19/65/1338301965.db2.gz IETUDJWJMAEZON-YOEHRIQHSA-N 1 2 343.427 3.021 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](F)c3ccccc3)C2)s1 ZINC001015768912 1338301967 /nfs/dbraw/zinc/30/19/67/1338301967.db2.gz IETUDJWJMAEZON-YOEHRIQHSA-N 1 2 343.427 3.021 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)cs1 ZINC001015849446 1338333715 /nfs/dbraw/zinc/33/37/15/1338333715.db2.gz DQNYTHSQYZDWQD-MRXNPFEDSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)cs1 ZINC001015849446 1338333717 /nfs/dbraw/zinc/33/37/17/1338333717.db2.gz DQNYTHSQYZDWQD-MRXNPFEDSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c(C)c1 ZINC001016163442 1338485848 /nfs/dbraw/zinc/48/58/48/1338485848.db2.gz GUFVBRNQYBPNBJ-LJQANCHMSA-N 1 2 333.435 3.179 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c(C)c1 ZINC001016163442 1338485849 /nfs/dbraw/zinc/48/58/49/1338485849.db2.gz GUFVBRNQYBPNBJ-LJQANCHMSA-N 1 2 333.435 3.179 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2OCC2CC2)C1 ZINC001016328643 1338551955 /nfs/dbraw/zinc/55/19/55/1338551955.db2.gz XCCXINQPLWFOBY-OAHLLOKOSA-N 1 2 334.847 3.032 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2OCC2CC2)C1 ZINC001016328643 1338551958 /nfs/dbraw/zinc/55/19/58/1338551958.db2.gz XCCXINQPLWFOBY-OAHLLOKOSA-N 1 2 334.847 3.032 20 30 EGEDLO C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001017535644 1339363413 /nfs/dbraw/zinc/36/34/13/1339363413.db2.gz MMUKXODSKDNZNJ-ZMYBRWDISA-N 1 2 342.870 3.490 20 30 EGEDLO C[C@H](c1cccc(Cl)c1)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001017535644 1339363415 /nfs/dbraw/zinc/36/34/15/1339363415.db2.gz MMUKXODSKDNZNJ-ZMYBRWDISA-N 1 2 342.870 3.490 20 30 EGEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccsc1C(F)(F)F ZINC001018216320 1339536425 /nfs/dbraw/zinc/53/64/25/1339536425.db2.gz UHPOGMYKBBMCSC-PHIMTYICSA-N 1 2 330.375 3.242 20 30 EGEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccsc1C(F)(F)F ZINC001018216320 1339536426 /nfs/dbraw/zinc/53/64/26/1339536426.db2.gz UHPOGMYKBBMCSC-PHIMTYICSA-N 1 2 330.375 3.242 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc2ccc(OC)cc2[nH]1 ZINC001028064538 1340405326 /nfs/dbraw/zinc/40/53/26/1340405326.db2.gz LHGGNDOKAORCHX-CQSZACIVSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2ccc(OC)cc2[nH]1 ZINC001028064538 1340405330 /nfs/dbraw/zinc/40/53/30/1340405330.db2.gz LHGGNDOKAORCHX-CQSZACIVSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001028081796 1340414051 /nfs/dbraw/zinc/41/40/51/1340414051.db2.gz ZMDNASYTLJNLKF-KBPBESRZSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001028081796 1340414054 /nfs/dbraw/zinc/41/40/54/1340414054.db2.gz ZMDNASYTLJNLKF-KBPBESRZSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(F)cc(Cl)c1 ZINC001028159578 1340458749 /nfs/dbraw/zinc/45/87/49/1340458749.db2.gz IFNJTMMPLCEMEW-AWEZNQCLSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(F)cc(Cl)c1 ZINC001028159578 1340458751 /nfs/dbraw/zinc/45/87/51/1340458751.db2.gz IFNJTMMPLCEMEW-AWEZNQCLSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC001028190398 1340475689 /nfs/dbraw/zinc/47/56/89/1340475689.db2.gz SYHFHFKYKDZGTA-HYVNUMGLSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC001028190398 1340475692 /nfs/dbraw/zinc/47/56/92/1340475692.db2.gz SYHFHFKYKDZGTA-HYVNUMGLSA-N 1 2 348.874 3.132 20 30 EGEDLO CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccc(F)cc2)CC1 ZINC001029458375 1340994932 /nfs/dbraw/zinc/99/49/32/1340994932.db2.gz NJMICTHGOQFZEM-KDURUIRLSA-N 1 2 340.442 3.043 20 30 EGEDLO CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccc(F)cc2)CC1 ZINC001029458375 1340994934 /nfs/dbraw/zinc/99/49/34/1340994934.db2.gz NJMICTHGOQFZEM-KDURUIRLSA-N 1 2 340.442 3.043 20 30 EGEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)c1cccs1 ZINC001031526580 1341362976 /nfs/dbraw/zinc/36/29/76/1341362976.db2.gz XQZVXZLFROANKQ-UHFFFAOYSA-N 1 2 344.867 3.115 20 30 EGEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)C3=CCCCCC3)C2)cc1F ZINC001031631177 1341378321 /nfs/dbraw/zinc/37/83/21/1341378321.db2.gz JCJMKSPKRSHOJX-UHFFFAOYSA-N 1 2 341.430 3.136 20 30 EGEDLO CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031683592 1341387477 /nfs/dbraw/zinc/38/74/77/1341387477.db2.gz HARVENBBVMEGBI-RBUKOAKNSA-N 1 2 339.483 3.179 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCc3c2cccc3Cl)C1 ZINC001031850845 1341411715 /nfs/dbraw/zinc/41/17/15/1341411715.db2.gz SXOHKAASVAODJU-OAHLLOKOSA-N 1 2 339.266 3.170 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)C1 ZINC001031874247 1341415053 /nfs/dbraw/zinc/41/50/53/1341415053.db2.gz PKVILZZZRDLRAU-IAGOWNOFSA-N 1 2 336.838 3.120 20 30 EGEDLO CC[C@@H]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031953500 1341431004 /nfs/dbraw/zinc/43/10/04/1341431004.db2.gz LHZAHWORFUHBPV-SJLPKXTDSA-N 1 2 343.446 3.072 20 30 EGEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2ccsc2Cl)C1 ZINC001032030040 1341442764 /nfs/dbraw/zinc/44/27/64/1341442764.db2.gz SOIMMGANSCOEDL-UHFFFAOYSA-N 1 2 345.855 3.135 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cccc(OCC(C)C)c2)C1 ZINC001032176642 1341469016 /nfs/dbraw/zinc/46/90/16/1341469016.db2.gz NNWOFMZYYZNZLX-UHFFFAOYSA-N 1 2 336.863 3.136 20 30 EGEDLO CN(C(=O)C1=CCCC1)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033005640 1341693836 /nfs/dbraw/zinc/69/38/36/1341693836.db2.gz SBVZBQBNBGFLRW-SFHVURJKSA-N 1 2 342.870 3.335 20 30 EGEDLO CN(C(=O)C1=CCCC1)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033005640 1341693838 /nfs/dbraw/zinc/69/38/38/1341693838.db2.gz SBVZBQBNBGFLRW-SFHVURJKSA-N 1 2 342.870 3.335 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)cc2F)C1 ZINC001033249346 1341757357 /nfs/dbraw/zinc/75/73/57/1341757357.db2.gz SEKYETRQYXOARH-LBPRGKRZSA-N 1 2 331.218 3.378 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)cc2F)C1 ZINC001033249346 1341757358 /nfs/dbraw/zinc/75/73/58/1341757358.db2.gz SEKYETRQYXOARH-LBPRGKRZSA-N 1 2 331.218 3.378 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)nc2C2CC2)C1 ZINC001033313794 1341778112 /nfs/dbraw/zinc/77/81/12/1341778112.db2.gz ZNGGJVJNLSDCPC-OAHLLOKOSA-N 1 2 333.863 3.166 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)nc2C2CC2)C1 ZINC001033313794 1341778114 /nfs/dbraw/zinc/77/81/14/1341778114.db2.gz ZNGGJVJNLSDCPC-OAHLLOKOSA-N 1 2 333.863 3.166 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001033343982 1341788676 /nfs/dbraw/zinc/78/86/76/1341788676.db2.gz OQMCFBOWZVBWRL-DOMZBBRYSA-N 1 2 334.847 3.081 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001033343982 1341788681 /nfs/dbraw/zinc/78/86/81/1341788681.db2.gz OQMCFBOWZVBWRL-DOMZBBRYSA-N 1 2 334.847 3.081 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc3cccc(OC)c3o2)C1 ZINC001033382832 1341804523 /nfs/dbraw/zinc/80/45/23/1341804523.db2.gz GRYUSOGLBFOXFU-CQSZACIVSA-N 1 2 348.830 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3cccc(OC)c3o2)C1 ZINC001033382832 1341804526 /nfs/dbraw/zinc/80/45/26/1341804526.db2.gz GRYUSOGLBFOXFU-CQSZACIVSA-N 1 2 348.830 3.340 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001033394510 1341811309 /nfs/dbraw/zinc/81/13/09/1341811309.db2.gz VZYCOVKDFJCUCZ-ZIAGYGMSSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001033394510 1341811310 /nfs/dbraw/zinc/81/13/10/1341811310.db2.gz VZYCOVKDFJCUCZ-ZIAGYGMSSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC001033446792 1341827399 /nfs/dbraw/zinc/82/73/99/1341827399.db2.gz BRCFWPDQLCZBFN-CYBMUJFWSA-N 1 2 345.245 3.307 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC001033446792 1341827400 /nfs/dbraw/zinc/82/74/00/1341827400.db2.gz BRCFWPDQLCZBFN-CYBMUJFWSA-N 1 2 345.245 3.307 20 30 EGEDLO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)cs1 ZINC001033500897 1341848347 /nfs/dbraw/zinc/84/83/47/1341848347.db2.gz PVQXSIVHOJRMEC-SFHVURJKSA-N 1 2 339.464 3.275 20 30 EGEDLO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cs1 ZINC001033500897 1341848348 /nfs/dbraw/zinc/84/83/48/1341848348.db2.gz PVQXSIVHOJRMEC-SFHVURJKSA-N 1 2 339.464 3.275 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(F)cc2Cl)C1 ZINC001033634751 1341917103 /nfs/dbraw/zinc/91/71/03/1341917103.db2.gz XKYJWCSURYHMFX-GFCCVEGCSA-N 1 2 331.218 3.378 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(F)cc2Cl)C1 ZINC001033634751 1341917106 /nfs/dbraw/zinc/91/71/06/1341917106.db2.gz XKYJWCSURYHMFX-GFCCVEGCSA-N 1 2 331.218 3.378 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(F)c3occc32)C1 ZINC001033671193 1341938119 /nfs/dbraw/zinc/93/81/19/1341938119.db2.gz GBPHFEIZEPSCRY-LBPRGKRZSA-N 1 2 336.794 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(F)c3occc32)C1 ZINC001033671193 1341938122 /nfs/dbraw/zinc/93/81/22/1341938122.db2.gz GBPHFEIZEPSCRY-LBPRGKRZSA-N 1 2 336.794 3.471 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2OCC2CC2)C1 ZINC001033683944 1341949895 /nfs/dbraw/zinc/94/98/95/1341949895.db2.gz JVTPXZKHPNKOIB-INIZCTEOSA-N 1 2 348.874 3.374 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2OCC2CC2)C1 ZINC001033683944 1341949899 /nfs/dbraw/zinc/94/98/99/1341949899.db2.gz JVTPXZKHPNKOIB-INIZCTEOSA-N 1 2 348.874 3.374 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C23CC(c4ccccc4)(C2)C3)C1 ZINC001033696637 1341962728 /nfs/dbraw/zinc/96/27/28/1341962728.db2.gz OFJSKCXCWRFELW-KKXNLOMOSA-N 1 2 344.886 3.394 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C23CC(c4ccccc4)(C2)C3)C1 ZINC001033696637 1341962729 /nfs/dbraw/zinc/96/27/29/1341962729.db2.gz OFJSKCXCWRFELW-KKXNLOMOSA-N 1 2 344.886 3.394 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(N(C)CCC)cc2)C1 ZINC001033708666 1341969750 /nfs/dbraw/zinc/96/97/50/1341969750.db2.gz AISCILDUPYLMQE-SFHVURJKSA-N 1 2 349.906 3.432 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(N(C)CCC)cc2)C1 ZINC001033708666 1341969752 /nfs/dbraw/zinc/96/97/52/1341969752.db2.gz AISCILDUPYLMQE-SFHVURJKSA-N 1 2 349.906 3.432 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCCC2(F)F)C1 ZINC001033907779 1342078992 /nfs/dbraw/zinc/07/89/92/1342078992.db2.gz JOHOGPOWRFHRGC-ZIAGYGMSSA-N 1 2 334.838 3.487 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCCC2(F)F)C1 ZINC001033907779 1342078997 /nfs/dbraw/zinc/07/89/97/1342078997.db2.gz JOHOGPOWRFHRGC-ZIAGYGMSSA-N 1 2 334.838 3.487 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C(C)C)cn2)C1 ZINC001033958468 1342113042 /nfs/dbraw/zinc/11/30/42/1342113042.db2.gz PIHDZRDUWLAYGK-MRXNPFEDSA-N 1 2 335.879 3.494 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C(C)C)cn2)C1 ZINC001033958468 1342113043 /nfs/dbraw/zinc/11/30/43/1342113043.db2.gz PIHDZRDUWLAYGK-MRXNPFEDSA-N 1 2 335.879 3.494 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2oc(C3CC3)nc2C)C1 ZINC001033983420 1342129456 /nfs/dbraw/zinc/12/94/56/1342129456.db2.gz CYJITVGAZQPZQH-CQSZACIVSA-N 1 2 337.851 3.149 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2oc(C3CC3)nc2C)C1 ZINC001033983420 1342129458 /nfs/dbraw/zinc/12/94/58/1342129458.db2.gz CYJITVGAZQPZQH-CQSZACIVSA-N 1 2 337.851 3.149 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3ccccc3O2)C1 ZINC001033991751 1342134073 /nfs/dbraw/zinc/13/40/73/1342134073.db2.gz LMVWLNFFNRDIKG-WMZOPIPTSA-N 1 2 348.874 3.056 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3ccccc3O2)C1 ZINC001033991751 1342134075 /nfs/dbraw/zinc/13/40/75/1342134075.db2.gz LMVWLNFFNRDIKG-WMZOPIPTSA-N 1 2 348.874 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(Cl)cn2)C1 ZINC001034020135 1342156729 /nfs/dbraw/zinc/15/67/29/1342156729.db2.gz GEHIVUVOHCLZCK-ZDUSSCGKSA-N 1 2 328.243 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(Cl)cn2)C1 ZINC001034020135 1342156730 /nfs/dbraw/zinc/15/67/30/1342156730.db2.gz GEHIVUVOHCLZCK-ZDUSSCGKSA-N 1 2 328.243 3.024 20 30 EGEDLO O=C(CC1CC1)N[C@@H]1CCCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001034065452 1342204186 /nfs/dbraw/zinc/20/41/86/1342204186.db2.gz QJBHYLHPYTYLHU-GOSISDBHSA-N 1 2 344.886 3.462 20 30 EGEDLO O=C(CC1CC1)N[C@@H]1CCCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001034065452 1342204189 /nfs/dbraw/zinc/20/41/89/1342204189.db2.gz QJBHYLHPYTYLHU-GOSISDBHSA-N 1 2 344.886 3.462 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2c(C)noc2C(F)F)C1 ZINC001034257982 1342351645 /nfs/dbraw/zinc/35/16/45/1342351645.db2.gz OUUDOCCUXAWLRU-NSHDSACASA-N 1 2 347.793 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2c(C)noc2C(F)F)C1 ZINC001034257982 1342351652 /nfs/dbraw/zinc/35/16/52/1342351652.db2.gz OUUDOCCUXAWLRU-NSHDSACASA-N 1 2 347.793 3.257 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2c(C)noc2C(F)F)C1 ZINC001034257980 1342351779 /nfs/dbraw/zinc/35/17/79/1342351779.db2.gz OUUDOCCUXAWLRU-LLVKDONJSA-N 1 2 347.793 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2c(C)noc2C(F)F)C1 ZINC001034257980 1342351780 /nfs/dbraw/zinc/35/17/80/1342351780.db2.gz OUUDOCCUXAWLRU-LLVKDONJSA-N 1 2 347.793 3.257 20 30 EGEDLO C=CCC[N@H+]1CCCC[C@@H](NC(=O)c2n[nH]c3ccc(C)cc32)C1 ZINC001034287724 1342374362 /nfs/dbraw/zinc/37/43/62/1342374362.db2.gz YAMKUOITVASHJE-OAHLLOKOSA-N 1 2 326.444 3.032 20 30 EGEDLO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2n[nH]c3ccc(C)cc32)C1 ZINC001034287724 1342374364 /nfs/dbraw/zinc/37/43/64/1342374364.db2.gz YAMKUOITVASHJE-OAHLLOKOSA-N 1 2 326.444 3.032 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cccnc2C(F)F)C1 ZINC001034296597 1342380869 /nfs/dbraw/zinc/38/08/69/1342380869.db2.gz QZJODRCACKPEGX-GFCCVEGCSA-N 1 2 343.805 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cccnc2C(F)F)C1 ZINC001034296597 1342380871 /nfs/dbraw/zinc/38/08/71/1342380871.db2.gz QZJODRCACKPEGX-GFCCVEGCSA-N 1 2 343.805 3.356 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2c(C)noc2C2CC2)C1 ZINC001034313981 1342394098 /nfs/dbraw/zinc/39/40/98/1342394098.db2.gz GMDXQTYVACEAMX-CQSZACIVSA-N 1 2 337.851 3.197 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2c(C)noc2C2CC2)C1 ZINC001034313981 1342394103 /nfs/dbraw/zinc/39/41/03/1342394103.db2.gz GMDXQTYVACEAMX-CQSZACIVSA-N 1 2 337.851 3.197 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001034385885 1342454520 /nfs/dbraw/zinc/45/45/20/1342454520.db2.gz VNMHICKYHYDWDU-AWEZNQCLSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001034385885 1342454522 /nfs/dbraw/zinc/45/45/22/1342454522.db2.gz VNMHICKYHYDWDU-AWEZNQCLSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2OCC)C1 ZINC001034513422 1342572078 /nfs/dbraw/zinc/57/20/78/1342572078.db2.gz YYTKAUWFEPYGDR-OAHLLOKOSA-N 1 2 336.863 3.422 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2OCC)C1 ZINC001034513422 1342572082 /nfs/dbraw/zinc/57/20/82/1342572082.db2.gz YYTKAUWFEPYGDR-OAHLLOKOSA-N 1 2 336.863 3.422 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C3=CCCC3)cc2)C1 ZINC001035620232 1343103641 /nfs/dbraw/zinc/10/36/41/1343103641.db2.gz ANIHNWFFYQCTHZ-FQEVSTJZSA-N 1 2 340.467 3.261 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C3=CCCC3)cc2)C1 ZINC001035620232 1343103642 /nfs/dbraw/zinc/10/36/42/1343103642.db2.gz ANIHNWFFYQCTHZ-FQEVSTJZSA-N 1 2 340.467 3.261 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC2(C[NH+](Cc3nccs3)C2)CC1 ZINC001035761824 1343175453 /nfs/dbraw/zinc/17/54/53/1343175453.db2.gz DEXMNQBHQQDLDL-UHFFFAOYSA-N 1 2 333.501 3.170 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1scnc1Cl)CC2 ZINC001035852506 1343230894 /nfs/dbraw/zinc/23/08/94/1343230894.db2.gz LHTHOMVRLSPBOX-UHFFFAOYSA-N 1 2 346.283 3.087 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)n1c(C)ccc1C)CC2 ZINC001035857609 1343233819 /nfs/dbraw/zinc/23/38/19/1343233819.db2.gz XVKZIPQMTYUPLS-QGZVFWFLSA-N 1 2 349.906 3.343 20 30 EGEDLO C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038169220 1344308881 /nfs/dbraw/zinc/30/88/81/1344308881.db2.gz SLNRBBSZYRRDPD-DOMZBBRYSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@H](c1ccccc1Cl)[N@H+]1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038169220 1344308885 /nfs/dbraw/zinc/30/88/85/1344308885.db2.gz SLNRBBSZYRRDPD-DOMZBBRYSA-N 1 2 342.830 3.105 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)C2=CCCCCC2)cc1F ZINC001038195797 1344318597 /nfs/dbraw/zinc/31/85/97/1344318597.db2.gz UTVUSRPWYWOCCU-SFHVURJKSA-N 1 2 341.430 3.278 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)C2=CCCCCC2)cc1F ZINC001038195797 1344318601 /nfs/dbraw/zinc/31/86/01/1344318601.db2.gz UTVUSRPWYWOCCU-SFHVURJKSA-N 1 2 341.430 3.278 20 30 EGEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1CCCCC1(F)F ZINC001038551704 1344480620 /nfs/dbraw/zinc/48/06/20/1344480620.db2.gz BNPFINPZMCUPGD-ZWKOTPCHSA-N 1 2 346.421 3.054 20 30 EGEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1CCCCC1(F)F ZINC001038551704 1344480623 /nfs/dbraw/zinc/48/06/23/1344480623.db2.gz BNPFINPZMCUPGD-ZWKOTPCHSA-N 1 2 346.421 3.054 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2Cl)cc1 ZINC001038581529 1344493539 /nfs/dbraw/zinc/49/35/39/1344493539.db2.gz JVHXNMAIQJLPQD-GOSISDBHSA-N 1 2 338.838 3.326 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2Cl)cc1 ZINC001038581529 1344493543 /nfs/dbraw/zinc/49/35/43/1344493543.db2.gz JVHXNMAIQJLPQD-GOSISDBHSA-N 1 2 338.838 3.326 20 30 EGEDLO CC1(C)CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)C1 ZINC001038674042 1344536151 /nfs/dbraw/zinc/53/61/51/1344536151.db2.gz MJCRIPCDGWIGBJ-ZIAGYGMSSA-N 1 2 331.485 3.137 20 30 EGEDLO CC1(C)CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)C1 ZINC001038674042 1344536153 /nfs/dbraw/zinc/53/61/53/1344536153.db2.gz MJCRIPCDGWIGBJ-ZIAGYGMSSA-N 1 2 331.485 3.137 20 30 EGEDLO CC(C)c1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)nc1 ZINC001038689511 1344544033 /nfs/dbraw/zinc/54/40/33/1344544033.db2.gz SFZCUTNOEMHUFP-IBGZPJMESA-N 1 2 348.450 3.081 20 30 EGEDLO CC(C)c1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)nc1 ZINC001038689511 1344544037 /nfs/dbraw/zinc/54/40/37/1344544037.db2.gz SFZCUTNOEMHUFP-IBGZPJMESA-N 1 2 348.450 3.081 20 30 EGEDLO Cc1ccc(F)c(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)c1 ZINC001038752808 1344567790 /nfs/dbraw/zinc/56/77/90/1344567790.db2.gz DYFJBGBHLMQZJC-QGZVFWFLSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1ccc(F)c(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)c1 ZINC001038752808 1344567793 /nfs/dbraw/zinc/56/77/93/1344567793.db2.gz DYFJBGBHLMQZJC-QGZVFWFLSA-N 1 2 337.398 3.010 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)C2CCC=CCC2)s1 ZINC001039020022 1344718297 /nfs/dbraw/zinc/71/82/97/1344718297.db2.gz VKCCAJWBTHQDBX-HNNXBMFYSA-N 1 2 329.469 3.057 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)C2CCC=CCC2)s1 ZINC001039020022 1344718300 /nfs/dbraw/zinc/71/83/00/1344718300.db2.gz VKCCAJWBTHQDBX-HNNXBMFYSA-N 1 2 329.469 3.057 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2CC3CCC2CC3)s1 ZINC001039048469 1344734459 /nfs/dbraw/zinc/73/44/59/1344734459.db2.gz IGNWAPIAHJMEEF-PPPKJHQXSA-N 1 2 343.496 3.137 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2CC3CCC2CC3)s1 ZINC001039048469 1344734461 /nfs/dbraw/zinc/73/44/61/1344734461.db2.gz IGNWAPIAHJMEEF-PPPKJHQXSA-N 1 2 343.496 3.137 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(F)(F)F ZINC001039460854 1345079890 /nfs/dbraw/zinc/07/98/90/1345079890.db2.gz JTVBROGDVJXDSX-NEPJUHHUSA-N 1 2 338.801 3.393 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(F)(F)F ZINC001039460854 1345079891 /nfs/dbraw/zinc/07/98/91/1345079891.db2.gz JTVBROGDVJXDSX-NEPJUHHUSA-N 1 2 338.801 3.393 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OC)C1CCCC1 ZINC001039463959 1345081862 /nfs/dbraw/zinc/08/18/62/1345081862.db2.gz MYTXRTJPWLXNOU-IXDOHACOSA-N 1 2 340.895 3.009 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OC)C1CCCC1 ZINC001039463959 1345081865 /nfs/dbraw/zinc/08/18/65/1345081865.db2.gz MYTXRTJPWLXNOU-IXDOHACOSA-N 1 2 340.895 3.009 20 30 EGEDLO Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccc(C#N)cc2)o1 ZINC001039507405 1345120372 /nfs/dbraw/zinc/12/03/72/1345120372.db2.gz MLWQLXNUTPNDFB-KDURUIRLSA-N 1 2 349.434 3.339 20 30 EGEDLO Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)cc2)o1 ZINC001039507405 1345120375 /nfs/dbraw/zinc/12/03/75/1345120375.db2.gz MLWQLXNUTPNDFB-KDURUIRLSA-N 1 2 349.434 3.339 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cnccc2C)C1 ZINC001039906745 1345243679 /nfs/dbraw/zinc/24/36/79/1345243679.db2.gz WAWNNZBABJXHCG-KDURUIRLSA-N 1 2 339.483 3.312 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cnccc2C)C1 ZINC001039906745 1345243682 /nfs/dbraw/zinc/24/36/82/1345243682.db2.gz WAWNNZBABJXHCG-KDURUIRLSA-N 1 2 339.483 3.312 20 30 EGEDLO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1nc2cccc(Br)c2[nH]1 ZINC001218455477 1373617361 /nfs/dbraw/zinc/61/73/61/1373617361.db2.gz MZZXSZINFJCLQR-DGCLKSJQSA-N 1 2 336.233 3.401 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(OC)cs3)C[C@@H]21 ZINC001042180973 1345969549 /nfs/dbraw/zinc/96/95/49/1345969549.db2.gz BGJOGAGYPQMNAG-JSGCOSHPSA-N 1 2 340.876 3.046 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(OC)cs3)C[C@@H]21 ZINC001042180973 1345969551 /nfs/dbraw/zinc/96/95/51/1345969551.db2.gz BGJOGAGYPQMNAG-JSGCOSHPSA-N 1 2 340.876 3.046 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@@H]3CC[N@H+](Cc4cscn4)[C@@H]3C2)CC1 ZINC001042213202 1345988097 /nfs/dbraw/zinc/98/80/97/1345988097.db2.gz DSMWFNSRTJJFLJ-MAUKXSAKSA-N 1 2 345.512 3.312 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4cscn4)[C@@H]3C2)CC1 ZINC001042213202 1345988100 /nfs/dbraw/zinc/98/81/00/1345988100.db2.gz DSMWFNSRTJJFLJ-MAUKXSAKSA-N 1 2 345.512 3.312 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@H]2C)CC1 ZINC001042470886 1346080115 /nfs/dbraw/zinc/08/01/15/1346080115.db2.gz OSYFICMMTLPHFO-FZKQIMNGSA-N 1 2 342.487 3.089 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](CCO[C@H]3CCCC[C@@H]3C)C2)C1 ZINC001043794141 1346210066 /nfs/dbraw/zinc/21/00/66/1346210066.db2.gz FFCCZXPHEADNND-WMZOPIPTSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@H]2C[C@@]2(C)CC)CC1 ZINC001045607417 1346644404 /nfs/dbraw/zinc/64/44/04/1346644404.db2.gz VSOZPVPUWFIZPU-UKRRQHHQSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[C@H]2Nc2cc[nH+]c(C)n2)CC1 ZINC001045737205 1346683609 /nfs/dbraw/zinc/68/36/09/1346683609.db2.gz NVFZXNMTEQBROR-IAGOWNOFSA-N 1 2 328.460 3.371 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cscn2)C1 ZINC001045843738 1346718309 /nfs/dbraw/zinc/71/83/09/1346718309.db2.gz QUJPWWPLJOSJJO-CVEARBPZSA-N 1 2 331.485 3.065 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2cscn2)C1 ZINC001045843738 1346718311 /nfs/dbraw/zinc/71/83/11/1346718311.db2.gz QUJPWWPLJOSJJO-CVEARBPZSA-N 1 2 331.485 3.065 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC2(C(F)(F)F)CC2)CC[C@@H]1C ZINC001132094760 1375143061 /nfs/dbraw/zinc/14/30/61/1375143061.db2.gz PEUWKQAPDIQZQT-NWDGAFQWSA-N 1 2 338.801 3.441 20 30 EGEDLO CC1(C)CC(C(=O)N[C@]2(C)CC[N@H+](Cc3cc(F)ccc3C#N)C2)C1 ZINC001046290369 1346923474 /nfs/dbraw/zinc/92/34/74/1346923474.db2.gz BVKMQOBROFAEOC-HXUWFJFHSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC(C(=O)N[C@]2(C)CC[N@@H+](Cc3cc(F)ccc3C#N)C2)C1 ZINC001046290369 1346923475 /nfs/dbraw/zinc/92/34/75/1346923475.db2.gz BVKMQOBROFAEOC-HXUWFJFHSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(-c3ccccc3)on2)C1 ZINC001046460457 1346981437 /nfs/dbraw/zinc/98/14/37/1346981437.db2.gz FMJSBORQHHYSAC-GOSISDBHSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(-c3ccccc3)on2)C1 ZINC001046460457 1346981439 /nfs/dbraw/zinc/98/14/39/1346981439.db2.gz FMJSBORQHHYSAC-GOSISDBHSA-N 1 2 345.830 3.288 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046551651 1347012831 /nfs/dbraw/zinc/01/28/31/1347012831.db2.gz WJQQCZNVLDUJPW-FXAWDEMLSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046551651 1347012832 /nfs/dbraw/zinc/01/28/32/1347012832.db2.gz WJQQCZNVLDUJPW-FXAWDEMLSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001046551937 1347012942 /nfs/dbraw/zinc/01/29/42/1347012942.db2.gz QDDWHCPMQKSEON-BBRMVZONSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001046551937 1347012944 /nfs/dbraw/zinc/01/29/44/1347012944.db2.gz QDDWHCPMQKSEON-BBRMVZONSA-N 1 2 343.309 3.302 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046551653 1347013024 /nfs/dbraw/zinc/01/30/24/1347013024.db2.gz WJQQCZNVLDUJPW-PXNSSMCTSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046551653 1347013026 /nfs/dbraw/zinc/01/30/26/1347013026.db2.gz WJQQCZNVLDUJPW-PXNSSMCTSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)C2CC3(CCC3)C2)C1 ZINC001046553186 1347013606 /nfs/dbraw/zinc/01/36/06/1347013606.db2.gz FUSVSIKPEXBRMX-OAHLLOKOSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)C2CC3(CCC3)C2)C1 ZINC001046553186 1347013607 /nfs/dbraw/zinc/01/36/07/1347013607.db2.gz FUSVSIKPEXBRMX-OAHLLOKOSA-N 1 2 341.293 3.056 20 30 EGEDLO C[C@@]1(NC(=O)c2occc2Cl)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046598561 1347033241 /nfs/dbraw/zinc/03/32/41/1347033241.db2.gz OVWFQSRGJWINSS-GOSISDBHSA-N 1 2 343.814 3.199 20 30 EGEDLO C[C@@]1(NC(=O)c2occc2Cl)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046598561 1347033246 /nfs/dbraw/zinc/03/32/46/1347033246.db2.gz OVWFQSRGJWINSS-GOSISDBHSA-N 1 2 343.814 3.199 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccn(C(CC)CC)n2)C1 ZINC001046674034 1347058695 /nfs/dbraw/zinc/05/86/95/1347058695.db2.gz SFMOIUPXJAVMBJ-KRWDZBQOSA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccn(C(CC)CC)n2)C1 ZINC001046674034 1347058696 /nfs/dbraw/zinc/05/86/96/1347058696.db2.gz SFMOIUPXJAVMBJ-KRWDZBQOSA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001046968620 1347170442 /nfs/dbraw/zinc/17/04/42/1347170442.db2.gz KTFOCSMKRHJMSU-LZWOXQAQSA-N 1 2 346.849 3.393 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001046968620 1347170443 /nfs/dbraw/zinc/17/04/43/1347170443.db2.gz KTFOCSMKRHJMSU-LZWOXQAQSA-N 1 2 346.849 3.393 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1c(C)onc1C1CC1 ZINC001049598223 1347929969 /nfs/dbraw/zinc/92/99/69/1347929969.db2.gz LKPAMQFTHCTSGG-HUUCEWRRSA-N 1 2 349.862 3.292 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1c(C)onc1C1CC1 ZINC001049598223 1347929972 /nfs/dbraw/zinc/92/99/72/1347929972.db2.gz LKPAMQFTHCTSGG-HUUCEWRRSA-N 1 2 349.862 3.292 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(C)CCC1 ZINC001049643822 1347951120 /nfs/dbraw/zinc/95/11/20/1347951120.db2.gz GMKHHLNOZFBRSQ-KGLIPLIRSA-N 1 2 341.293 3.151 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(C)CCC1 ZINC001049643822 1347951123 /nfs/dbraw/zinc/95/11/23/1347951123.db2.gz GMKHHLNOZFBRSQ-KGLIPLIRSA-N 1 2 341.293 3.151 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1nccn1CC ZINC001049689827 1347973399 /nfs/dbraw/zinc/97/33/99/1347973399.db2.gz BMFHSNUVHLMQJU-SQGPQFPESA-N 1 2 344.503 3.071 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1nccn1CC ZINC001049689827 1347973400 /nfs/dbraw/zinc/97/34/00/1347973400.db2.gz BMFHSNUVHLMQJU-SQGPQFPESA-N 1 2 344.503 3.071 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H]2CCCN(C(=O)C(F)=C(C)C)[C@@H]2C1 ZINC001050018914 1348156881 /nfs/dbraw/zinc/15/68/81/1348156881.db2.gz ZFPVVZPGRXXRKR-QWHCGFSZSA-N 1 2 345.256 3.081 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCCN(C(=O)C(F)=C(C)C)[C@@H]2C1 ZINC001050018914 1348156883 /nfs/dbraw/zinc/15/68/83/1348156883.db2.gz ZFPVVZPGRXXRKR-QWHCGFSZSA-N 1 2 345.256 3.081 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1sccc1C(F)F ZINC001051228131 1348406390 /nfs/dbraw/zinc/40/63/90/1348406390.db2.gz ARGGGIAIRVQAFX-LBPRGKRZSA-N 1 2 344.427 3.083 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1sccc1C(F)F ZINC001051228131 1348406394 /nfs/dbraw/zinc/40/63/94/1348406394.db2.gz ARGGGIAIRVQAFX-LBPRGKRZSA-N 1 2 344.427 3.083 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)c3cc[nH]c3C)cccc2C1 ZINC001051284368 1348418067 /nfs/dbraw/zinc/41/80/67/1348418067.db2.gz QGPBMCJBFDUKHX-UHFFFAOYSA-N 1 2 343.858 3.364 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)c3cc[nH]c3C)cccc2C1 ZINC001051284368 1348418068 /nfs/dbraw/zinc/41/80/68/1348418068.db2.gz QGPBMCJBFDUKHX-UHFFFAOYSA-N 1 2 343.858 3.364 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)[C@H]3CC3(F)F)cccc2C1 ZINC001051288654 1348419419 /nfs/dbraw/zinc/41/94/19/1348419419.db2.gz SDUZHTPWIGPJJE-OAHLLOKOSA-N 1 2 340.801 3.069 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)[C@H]3CC3(F)F)cccc2C1 ZINC001051288654 1348419422 /nfs/dbraw/zinc/41/94/22/1348419422.db2.gz SDUZHTPWIGPJJE-OAHLLOKOSA-N 1 2 340.801 3.069 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(c3cc[nH+]c(C)n3)CC(C)(C)C2)C1 ZINC001051384719 1348450137 /nfs/dbraw/zinc/45/01/37/1348450137.db2.gz QDNJEOJXBIHOOQ-MRXNPFEDSA-N 1 2 342.487 3.253 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc3sccc3c1)CCO2 ZINC001053492017 1349045493 /nfs/dbraw/zinc/04/54/93/1349045493.db2.gz MTKIFRHUTGVHSU-UHFFFAOYSA-N 1 2 342.464 3.004 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCC(C)=C(C)C1)O2 ZINC001053605132 1349074471 /nfs/dbraw/zinc/07/44/71/1349074471.db2.gz YPNATICTOSKARB-QZTJIDSGSA-N 1 2 332.488 3.049 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccccc1C1CCC1)O2 ZINC001053693590 1349095151 /nfs/dbraw/zinc/09/51/51/1349095151.db2.gz GNYYJDFNICMODX-QGZVFWFLSA-N 1 2 340.467 3.103 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(CCC)c(C)s1)O2 ZINC001053696435 1349096172 /nfs/dbraw/zinc/09/61/72/1349096172.db2.gz IVHIDVSMEQSLQX-INIZCTEOSA-N 1 2 348.512 3.158 20 30 EGEDLO C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(OC)cs1 ZINC001054048718 1349138674 /nfs/dbraw/zinc/13/86/74/1349138674.db2.gz HCDMHONPQJONCW-INIZCTEOSA-N 1 2 342.464 3.099 20 30 EGEDLO C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(OC)cs1 ZINC001054048718 1349138678 /nfs/dbraw/zinc/13/86/78/1349138678.db2.gz HCDMHONPQJONCW-INIZCTEOSA-N 1 2 342.464 3.099 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@]2(CC[N@@H+]([C@H](C)c3csnn3)C2)C1 ZINC001054174802 1349176184 /nfs/dbraw/zinc/17/61/84/1349176184.db2.gz AGBHROANQOCIPM-KDOFPFPSSA-N 1 2 348.516 3.126 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@]2(CC[N@H+]([C@H](C)c3csnn3)C2)C1 ZINC001054174802 1349176188 /nfs/dbraw/zinc/17/61/88/1349176188.db2.gz AGBHROANQOCIPM-KDOFPFPSSA-N 1 2 348.516 3.126 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc4cccc(F)c4o3)cc2C1 ZINC001054292216 1349297905 /nfs/dbraw/zinc/29/79/05/1349297905.db2.gz VTAAOONTYHXUIT-UHFFFAOYSA-N 1 2 348.377 3.451 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc4cccc(F)c4o3)cc2C1 ZINC001054292216 1349297907 /nfs/dbraw/zinc/29/79/07/1349297907.db2.gz VTAAOONTYHXUIT-UHFFFAOYSA-N 1 2 348.377 3.451 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3coc4ccccc34)cc2C1 ZINC001054293021 1349299434 /nfs/dbraw/zinc/29/94/34/1349299434.db2.gz JXGDBQQDXQOCBL-UHFFFAOYSA-N 1 2 330.387 3.312 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3coc4ccccc34)cc2C1 ZINC001054293021 1349299436 /nfs/dbraw/zinc/29/94/36/1349299436.db2.gz JXGDBQQDXQOCBL-UHFFFAOYSA-N 1 2 330.387 3.312 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001057726706 1350119724 /nfs/dbraw/zinc/11/97/24/1350119724.db2.gz POOQWFCSQCVDKZ-OAHLLOKOSA-N 1 2 328.460 3.278 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H](Nc3cc(C)[nH+]c(C4CC4)n3)C2)C1 ZINC001057755700 1350129695 /nfs/dbraw/zinc/12/96/95/1350129695.db2.gz WMRJXLXZNAVMLV-INIZCTEOSA-N 1 2 340.471 3.422 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(F)c(Cl)c2F)C1 ZINC001080385832 1357598451 /nfs/dbraw/zinc/59/84/51/1357598451.db2.gz NGCPKHGQYYZQJK-PRHODGIISA-N 1 2 349.208 3.421 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(F)c(Cl)c2F)C1 ZINC001080385832 1357598455 /nfs/dbraw/zinc/59/84/55/1357598455.db2.gz NGCPKHGQYYZQJK-PRHODGIISA-N 1 2 349.208 3.421 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@]2(C1)CCCN(c1cc[nH+]c(C)n1)C2 ZINC001064567768 1352628457 /nfs/dbraw/zinc/62/84/57/1352628457.db2.gz WWWJNLJQFRKZFZ-VQTJNVASSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CCN(c3nc(C)[nH+]c(C)c3C)[C@H]2C1 ZINC001064695696 1352668155 /nfs/dbraw/zinc/66/81/55/1352668155.db2.gz SFYMZXHHWQRCDJ-SJORKVTESA-N 1 2 342.487 3.041 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[C@@H](CNc3cc[nH+]c(C)n3)C2)CC1 ZINC001069505651 1354101237 /nfs/dbraw/zinc/10/12/37/1354101237.db2.gz PKONJIJJWWZFPK-WBVHZDCISA-N 1 2 328.460 3.228 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccccc1C)C[C@@H](C)O2 ZINC001071129770 1354468718 /nfs/dbraw/zinc/46/87/18/1354468718.db2.gz QXJOAFQIDDURAR-VQIMIIECSA-N 1 2 348.874 3.053 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccccc1C)C[C@@H](C)O2 ZINC001071129770 1354468722 /nfs/dbraw/zinc/46/87/22/1354468722.db2.gz QXJOAFQIDDURAR-VQIMIIECSA-N 1 2 348.874 3.053 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)c2cccs2)C[N@@H+]1CC#Cc1ccccc1 ZINC001071327069 1354591559 /nfs/dbraw/zinc/59/15/59/1354591559.db2.gz JTOVEUIAXRYOQD-WMZOPIPTSA-N 1 2 338.476 3.383 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)c2cccs2)C[N@H+]1CC#Cc1ccccc1 ZINC001071327069 1354591560 /nfs/dbraw/zinc/59/15/60/1354591560.db2.gz JTOVEUIAXRYOQD-WMZOPIPTSA-N 1 2 338.476 3.383 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)c2cccs2)C[N@@H+]1Cc1ccccc1C#N ZINC001071328860 1354593048 /nfs/dbraw/zinc/59/30/48/1354593048.db2.gz FEXNIHBSIBQQNH-PBHICJAKSA-N 1 2 339.464 3.403 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)c2cccs2)C[N@H+]1Cc1ccccc1C#N ZINC001071328860 1354593051 /nfs/dbraw/zinc/59/30/51/1354593051.db2.gz FEXNIHBSIBQQNH-PBHICJAKSA-N 1 2 339.464 3.403 20 30 EGEDLO Cc1ccoc1C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001071351879 1354620887 /nfs/dbraw/zinc/62/08/87/1354620887.db2.gz JLPSJSKJIMRNAQ-MAUKXSAKSA-N 1 2 337.423 3.243 20 30 EGEDLO Cc1ccoc1C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001071351879 1354620891 /nfs/dbraw/zinc/62/08/91/1354620891.db2.gz JLPSJSKJIMRNAQ-MAUKXSAKSA-N 1 2 337.423 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc(C(F)F)nc2)CC[C@H]1C ZINC001071550286 1354761630 /nfs/dbraw/zinc/76/16/30/1354761630.db2.gz ZTTUYGGLANHBSZ-YPMHNXCESA-N 1 2 343.805 3.354 20 30 EGEDLO 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CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)c1ccsc1 ZINC001085474373 1358525732 /nfs/dbraw/zinc/52/57/32/1358525732.db2.gz AFTDWHUNIMCSIN-CYBMUJFWSA-N 1 2 331.466 3.028 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F)C(=O)[C@H]1CC=CCC1 ZINC001085480218 1358531720 /nfs/dbraw/zinc/53/17/20/1358531720.db2.gz IIWXATRRSQLNNR-FUHWJXTLSA-N 1 2 341.430 3.086 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1F)C(=O)[C@H]1CC=CCC1 ZINC001085480218 1358531724 /nfs/dbraw/zinc/53/17/24/1358531724.db2.gz IIWXATRRSQLNNR-FUHWJXTLSA-N 1 2 341.430 3.086 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1)C(=O)C1CC(C)(C)C1 ZINC001085578741 1358609801 /nfs/dbraw/zinc/60/98/01/1358609801.db2.gz VTIDVAXKVJPQEF-QGZVFWFLSA-N 1 2 343.446 3.166 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1)C(=O)C1CC(C)(C)C1 ZINC001085578741 1358609805 /nfs/dbraw/zinc/60/98/05/1358609805.db2.gz VTIDVAXKVJPQEF-QGZVFWFLSA-N 1 2 343.446 3.166 20 30 EGEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1oc2c(cccc2F)c1C ZINC001085641844 1358655392 /nfs/dbraw/zinc/65/53/92/1358655392.db2.gz XYPDCSMNIYALAJ-CQSZACIVSA-N 1 2 328.387 3.050 20 30 EGEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1oc2c(cccc2F)c1C ZINC001085641844 1358655394 /nfs/dbraw/zinc/65/53/94/1358655394.db2.gz XYPDCSMNIYALAJ-CQSZACIVSA-N 1 2 328.387 3.050 20 30 EGEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2cccc(C)c2s1 ZINC001085679313 1358683180 /nfs/dbraw/zinc/68/31/80/1358683180.db2.gz GHIWNQBWPPNQRM-INIZCTEOSA-N 1 2 326.465 3.379 20 30 EGEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2cccc(C)c2s1 ZINC001085679313 1358683183 /nfs/dbraw/zinc/68/31/83/1358683183.db2.gz GHIWNQBWPPNQRM-INIZCTEOSA-N 1 2 326.465 3.379 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001085719154 1358709996 /nfs/dbraw/zinc/70/99/96/1358709996.db2.gz MBSIWNSTAPWYRT-KBRIMQKVSA-N 1 2 345.512 3.335 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001085719154 1358710000 /nfs/dbraw/zinc/71/00/00/1358710000.db2.gz MBSIWNSTAPWYRT-KBRIMQKVSA-N 1 2 345.512 3.335 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)CC1 ZINC001085797876 1358772491 /nfs/dbraw/zinc/77/24/91/1358772491.db2.gz CMSHWDHSLCLZKM-NRFANRHFSA-N 1 2 336.479 3.317 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CC#Cc2ccccc2)CC1 ZINC001085797876 1358772493 /nfs/dbraw/zinc/77/24/93/1358772493.db2.gz CMSHWDHSLCLZKM-NRFANRHFSA-N 1 2 336.479 3.317 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC001086599933 1359160339 /nfs/dbraw/zinc/16/03/39/1359160339.db2.gz QTYBECRXXBQIBL-DOTOQJQBSA-N 1 2 347.821 3.104 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC001086599933 1359160340 /nfs/dbraw/zinc/16/03/40/1359160340.db2.gz QTYBECRXXBQIBL-DOTOQJQBSA-N 1 2 347.821 3.104 20 30 EGEDLO C=C(Cl)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C(=O)C(C)(C)C)C2)CC1 ZINC001086909698 1359237604 /nfs/dbraw/zinc/23/76/04/1359237604.db2.gz BDVIETBTOVZZCB-CQSZACIVSA-N 1 2 340.895 3.057 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2occc2C)[C@H]1CC ZINC001087503082 1359501248 /nfs/dbraw/zinc/50/12/48/1359501248.db2.gz OTYHKBDOAJBFPN-QWHCGFSZSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2occc2C)[C@H]1CC ZINC001087503082 1359501249 /nfs/dbraw/zinc/50/12/49/1359501249.db2.gz OTYHKBDOAJBFPN-QWHCGFSZSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CCF)CC[C@@H]2c2cccc(F)c2)C1 ZINC001087458216 1359475922 /nfs/dbraw/zinc/47/59/22/1359475922.db2.gz PWJMXDHQIDNNNH-QZTJIDSGSA-N 1 2 348.437 3.426 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CCF)CC[C@@H]2c2cccc(F)c2)C1 ZINC001087458216 1359475925 /nfs/dbraw/zinc/47/59/25/1359475925.db2.gz PWJMXDHQIDNNNH-QZTJIDSGSA-N 1 2 348.437 3.426 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCCCC[C@@H]([NH2+][C@@H](C)c2noc(C)n2)C1 ZINC001088360259 1359843789 /nfs/dbraw/zinc/84/37/89/1359843789.db2.gz UUUFSVYUCQGXJV-DZGCQCFKSA-N 1 2 334.464 3.012 20 30 EGEDLO CCCC#CC(=O)N1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1 ZINC001184271201 1387421942 /nfs/dbraw/zinc/42/19/42/1387421942.db2.gz PQJCVZGUCLFYMH-UHFFFAOYSA-N 1 2 326.484 3.432 20 30 EGEDLO Cc1csc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)c1 ZINC001088557220 1359972147 /nfs/dbraw/zinc/97/21/47/1359972147.db2.gz BEJZPTMWEHINAC-PBHICJAKSA-N 1 2 339.464 3.321 20 30 EGEDLO Cc1csc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)c1 ZINC001088557220 1359972148 /nfs/dbraw/zinc/97/21/48/1359972148.db2.gz BEJZPTMWEHINAC-PBHICJAKSA-N 1 2 339.464 3.321 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(c3ccc(F)cc3)CC2)[C@H]1C ZINC001088606489 1359989367 /nfs/dbraw/zinc/98/93/67/1359989367.db2.gz WBAINEKDWBABQU-CJNGLKHVSA-N 1 2 336.838 3.189 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(c3ccc(F)cc3)CC2)[C@H]1C ZINC001088606489 1359989370 /nfs/dbraw/zinc/98/93/70/1359989370.db2.gz WBAINEKDWBABQU-CJNGLKHVSA-N 1 2 336.838 3.189 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)ccc2F)[C@H]1C ZINC001088722320 1360020804 /nfs/dbraw/zinc/02/08/04/1360020804.db2.gz WHFFLDPNZNFQMX-YGRLFVJLSA-N 1 2 331.218 3.424 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(Cl)ccc2F)[C@H]1C ZINC001088722320 1360020802 /nfs/dbraw/zinc/02/08/02/1360020802.db2.gz WHFFLDPNZNFQMX-YGRLFVJLSA-N 1 2 331.218 3.424 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2OC)[C@H]1C ZINC001088824118 1360064894 /nfs/dbraw/zinc/06/48/94/1360064894.db2.gz QMZUIYDCBMOSPD-RISCZKNCSA-N 1 2 343.254 3.294 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2OC)[C@H]1C ZINC001088824118 1360064896 /nfs/dbraw/zinc/06/48/96/1360064896.db2.gz QMZUIYDCBMOSPD-RISCZKNCSA-N 1 2 343.254 3.294 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnc3ccccc3c2)[C@H]1C ZINC001088883905 1360090123 /nfs/dbraw/zinc/09/01/23/1360090123.db2.gz QRWJENDLDQXERE-CJNGLKHVSA-N 1 2 329.831 3.180 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnc3ccccc3c2)[C@H]1C ZINC001088883905 1360090124 /nfs/dbraw/zinc/09/01/24/1360090124.db2.gz QRWJENDLDQXERE-CJNGLKHVSA-N 1 2 329.831 3.180 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(C(F)(F)F)n2)[C@H]1C ZINC001088937272 1360107747 /nfs/dbraw/zinc/10/77/47/1360107747.db2.gz CWQYZMQEHCUSAD-MNOVXSKESA-N 1 2 347.768 3.046 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C(F)(F)F)n2)[C@H]1C ZINC001088937272 1360107748 /nfs/dbraw/zinc/10/77/48/1360107748.db2.gz CWQYZMQEHCUSAD-MNOVXSKESA-N 1 2 347.768 3.046 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H](C)C2CCCC2)[C@H]1C ZINC001088970539 1360119345 /nfs/dbraw/zinc/11/93/45/1360119345.db2.gz DWHHQZYPHDXHHW-NFAWXSAZSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)C2CCCC2)[C@H]1C ZINC001088970539 1360119346 /nfs/dbraw/zinc/11/93/46/1360119346.db2.gz DWHHQZYPHDXHHW-NFAWXSAZSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2nsc3ccccc23)[C@H]1C ZINC001089055036 1360150431 /nfs/dbraw/zinc/15/04/31/1360150431.db2.gz SBBLYWBMSMFTSQ-OCCSQVGLSA-N 1 2 349.887 3.170 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2nsc3ccccc23)[C@H]1C ZINC001089055036 1360150433 /nfs/dbraw/zinc/15/04/33/1360150433.db2.gz SBBLYWBMSMFTSQ-OCCSQVGLSA-N 1 2 349.887 3.170 20 30 EGEDLO CCCc1nc(C[N@H+](C)C[C@@H]2CCCCN2C(=O)[C@H](C)C#N)cs1 ZINC001089139863 1360196948 /nfs/dbraw/zinc/19/69/48/1360196948.db2.gz PZYYGWLZDUJAIH-ZBFHGGJFSA-N 1 2 348.516 3.068 20 30 EGEDLO CCCc1nc(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)[C@H](C)C#N)cs1 ZINC001089139863 1360196951 /nfs/dbraw/zinc/19/69/51/1360196951.db2.gz PZYYGWLZDUJAIH-ZBFHGGJFSA-N 1 2 348.516 3.068 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccsn1 ZINC001089659072 1360570380 /nfs/dbraw/zinc/57/03/80/1360570380.db2.gz RZSRKFYSCODPDE-GFCCVEGCSA-N 1 2 327.881 3.116 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccsn1 ZINC001089659072 1360570382 /nfs/dbraw/zinc/57/03/82/1360570382.db2.gz RZSRKFYSCODPDE-GFCCVEGCSA-N 1 2 327.881 3.116 20 30 EGEDLO C=CCCCC(=O)NC[C@@H](C)N(CC)c1nc(C)[nH+]c2c1CCCC2 ZINC001089733059 1360636612 /nfs/dbraw/zinc/63/66/12/1360636612.db2.gz MFCLALGHTCRHFG-OAHLLOKOSA-N 1 2 344.503 3.351 20 30 EGEDLO C=CCCC1(C(=O)NC[C@@H](C)N(CC)c2nc(C)[nH+]c(C)c2C)CC1 ZINC001089740887 1360645096 /nfs/dbraw/zinc/64/50/96/1360645096.db2.gz HQQICXDWGIGBTQ-CQSZACIVSA-N 1 2 344.503 3.479 20 30 EGEDLO C=CCCC(=O)NCCC1=CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001089817672 1360677029 /nfs/dbraw/zinc/67/70/29/1360677029.db2.gz RWRKJWKTVUTART-UHFFFAOYSA-N 1 2 340.471 3.271 20 30 EGEDLO C#CCCCCC(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001090972452 1360965003 /nfs/dbraw/zinc/96/50/03/1360965003.db2.gz VHSUPQLNCUTSBH-RHSMWYFYSA-N 1 2 340.471 3.115 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H]2C[C@@H](Nc3cc(C)[nH+]c(C4CC4)n3)C2)C1 ZINC001091405310 1361083184 /nfs/dbraw/zinc/08/31/84/1361083184.db2.gz ZWHFTCKEYMVSSN-FZNQNYSPSA-N 1 2 340.471 3.325 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001091484419 1361116558 /nfs/dbraw/zinc/11/65/58/1361116558.db2.gz HJHYBPKZXDOLFH-WKILWMFISA-N 1 2 342.487 3.327 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)CC(C)(C)C1 ZINC001092089912 1361299338 /nfs/dbraw/zinc/29/93/38/1361299338.db2.gz VLACZUXMOVXKHJ-MRXNPFEDSA-N 1 2 344.503 3.499 20 30 EGEDLO C=CCCC(=O)NC[C@@H]1CCC(C)(C)CN1c1nc(C)[nH+]c(C)c1C ZINC001092114355 1361305973 /nfs/dbraw/zinc/30/59/73/1361305973.db2.gz HVRCMFQODROCIU-KRWDZBQOSA-N 1 2 344.503 3.479 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001092435917 1361382472 /nfs/dbraw/zinc/38/24/72/1361382472.db2.gz PUPVFOKGRVPVQS-RHSMWYFYSA-N 1 2 342.487 3.207 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001092435783 1361382648 /nfs/dbraw/zinc/38/26/48/1361382648.db2.gz JOLMACMXCMBSFR-NVXWUHKLSA-N 1 2 344.503 3.453 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(C2CC2)n1 ZINC001092907632 1361484001 /nfs/dbraw/zinc/48/40/01/1361484001.db2.gz GERHHUZIJJWWCM-PMPSAXMXSA-N 1 2 340.471 3.101 20 30 EGEDLO C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001093371103 1361580638 /nfs/dbraw/zinc/58/06/38/1361580638.db2.gz JLRNHWFSRLYRPP-ZIAGYGMSSA-N 1 2 348.384 3.166 20 30 EGEDLO C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001093371103 1361580641 /nfs/dbraw/zinc/58/06/41/1361580641.db2.gz JLRNHWFSRLYRPP-ZIAGYGMSSA-N 1 2 348.384 3.166 20 30 EGEDLO C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001093371103 1361580645 /nfs/dbraw/zinc/58/06/45/1361580645.db2.gz JLRNHWFSRLYRPP-ZIAGYGMSSA-N 1 2 348.384 3.166 20 30 EGEDLO C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001093371103 1361580649 /nfs/dbraw/zinc/58/06/49/1361580649.db2.gz JLRNHWFSRLYRPP-ZIAGYGMSSA-N 1 2 348.384 3.166 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C=C3CCCCC3)CC2)C1 ZINC001093515238 1361633024 /nfs/dbraw/zinc/63/30/24/1361633024.db2.gz SAPLFSPFAKFVGO-UHFFFAOYSA-N 1 2 332.488 3.145 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CC3CCCCCC3)CC2)C1 ZINC001093579638 1361647969 /nfs/dbraw/zinc/64/79/69/1361647969.db2.gz FYFKNBFXCDCRIT-UHFFFAOYSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H](C)CC3CCCC3)CC2)C1 ZINC001093578628 1361648119 /nfs/dbraw/zinc/64/81/19/1361648119.db2.gz DLBPSUGIRMEXNY-KRWDZBQOSA-N 1 2 348.531 3.471 20 30 EGEDLO N#Cc1ccc(NC(=O)NCc2c[nH+]cn2Cc2ccccc2F)cc1 ZINC001184774693 1387535419 /nfs/dbraw/zinc/53/54/19/1387535419.db2.gz UPRALNKGQSSWBM-UHFFFAOYSA-N 1 2 349.369 3.264 20 30 EGEDLO CCCCCCCCOCC(=O)NCCCNc1cc[nH+]c(C)n1 ZINC001094851678 1361925888 /nfs/dbraw/zinc/92/58/88/1361925888.db2.gz FFYAFFHVKCBLHR-UHFFFAOYSA-N 1 2 336.480 3.080 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001095066784 1362002924 /nfs/dbraw/zinc/00/29/24/1362002924.db2.gz OCWPILNOCQJBNO-OAHLLOKOSA-N 1 2 328.460 3.033 20 30 EGEDLO Cc1cc(N[C@@H]2CCCN(C(=O)C#CC(C)(C)C)C2)nc(C2CC2)[nH+]1 ZINC001095294725 1362087241 /nfs/dbraw/zinc/08/72/41/1362087241.db2.gz VJOZLADILXRBOA-MRXNPFEDSA-N 1 2 340.471 3.115 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001095711260 1362208892 /nfs/dbraw/zinc/20/88/92/1362208892.db2.gz UYHUNOKQJSRNGQ-AWEZNQCLSA-N 1 2 330.476 3.207 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCCN(CC)c1nc(C)[nH+]c(C)c1C ZINC001095946784 1362299480 /nfs/dbraw/zinc/29/94/80/1362299480.db2.gz LVRIWIKLRSSGGE-KRWDZBQOSA-N 1 2 332.492 3.337 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ncc(C)s2)CC1 ZINC001095971904 1362316224 /nfs/dbraw/zinc/31/62/24/1362316224.db2.gz NJFIMPQPZFNMBF-IKGGRYGDSA-N 1 2 345.512 3.419 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ncc(C)s2)CC1 ZINC001095971904 1362316231 /nfs/dbraw/zinc/31/62/31/1362316231.db2.gz NJFIMPQPZFNMBF-IKGGRYGDSA-N 1 2 345.512 3.419 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)c(C)[nH]1 ZINC001096077191 1362371611 /nfs/dbraw/zinc/37/16/11/1362371611.db2.gz FCOMQHAGYKXPTL-HOJAQTOUSA-N 1 2 348.450 3.039 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)c(C)[nH]1 ZINC001096077191 1362371617 /nfs/dbraw/zinc/37/16/17/1362371617.db2.gz FCOMQHAGYKXPTL-HOJAQTOUSA-N 1 2 348.450 3.039 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)c1ccccc1F)C2 ZINC001096194747 1362424775 /nfs/dbraw/zinc/42/47/75/1362424775.db2.gz CYOXFPQCOYHMIF-RMHZUWNSSA-N 1 2 336.838 3.403 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)c1ccccc1F)C2 ZINC001096194747 1362424776 /nfs/dbraw/zinc/42/47/76/1362424776.db2.gz CYOXFPQCOYHMIF-RMHZUWNSSA-N 1 2 336.838 3.403 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001096220855 1362438437 /nfs/dbraw/zinc/43/84/37/1362438437.db2.gz JWOBKPOZZBFZET-IAGOWNOFSA-N 1 2 330.476 3.089 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096487980 1362533380 /nfs/dbraw/zinc/53/33/80/1362533380.db2.gz FSLDAPIKGMWDBU-OAHLLOKOSA-N 1 2 330.476 3.206 20 30 EGEDLO C=C[C@@H](C(=O)NC[C@@H](Nc1cc[nH+]c(C)n1)C1CC1)c1ccccc1 ZINC001096673809 1362626489 /nfs/dbraw/zinc/62/64/89/1362626489.db2.gz IPHGGIHQSFDYBM-QZTJIDSGSA-N 1 2 336.439 3.062 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(F)c1)C2 ZINC001096754201 1362688998 /nfs/dbraw/zinc/68/89/98/1362688998.db2.gz GIBOWUDITGBGLJ-AQNXPRMDSA-N 1 2 349.409 3.233 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(F)c1)C2 ZINC001096754201 1362689000 /nfs/dbraw/zinc/68/90/00/1362689000.db2.gz GIBOWUDITGBGLJ-AQNXPRMDSA-N 1 2 349.409 3.233 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccsc1)C2 ZINC001096774274 1362698979 /nfs/dbraw/zinc/69/89/79/1362698979.db2.gz XDTMVVGBOJLHKU-KURKYZTESA-N 1 2 337.448 3.155 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccsc1)C2 ZINC001096774274 1362698983 /nfs/dbraw/zinc/69/89/83/1362698983.db2.gz XDTMVVGBOJLHKU-KURKYZTESA-N 1 2 337.448 3.155 20 30 EGEDLO C#CCC1(C(=O)N[C@H]2C[C@H](Nc3cc(C)[nH+]c(C(C)C)n3)C2)CCC1 ZINC001097076274 1362834264 /nfs/dbraw/zinc/83/42/64/1362834264.db2.gz ZZYWHEZSNYLCCC-WKILWMFISA-N 1 2 340.471 3.161 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2C[C@H](Nc3cc(C)[nH+]c(C4CC4)n3)C2)CCC1 ZINC001097097977 1362842107 /nfs/dbraw/zinc/84/21/07/1362842107.db2.gz BREXIGLSHIJQTF-WKILWMFISA-N 1 2 340.471 3.468 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001097105033 1362845292 /nfs/dbraw/zinc/84/52/92/1362845292.db2.gz LAOKEQVUADHCGX-SHTZXODSSA-N 1 2 342.487 3.325 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(F)c(F)c1)C2 ZINC001097220314 1362890678 /nfs/dbraw/zinc/89/06/78/1362890678.db2.gz XNVPNWKRHUTDOI-DFBGVHRSSA-N 1 2 326.774 3.052 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(F)c(F)c1)C2 ZINC001097220314 1362890680 /nfs/dbraw/zinc/89/06/80/1362890680.db2.gz XNVPNWKRHUTDOI-DFBGVHRSSA-N 1 2 326.774 3.052 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097243959 1362899748 /nfs/dbraw/zinc/89/97/48/1362899748.db2.gz USQBMZJAMMMRAP-CUBALJKWSA-N 1 2 328.460 3.180 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc(CCC)c1)C2 ZINC001097267597 1362906982 /nfs/dbraw/zinc/90/69/82/1362906982.db2.gz NKJFZLYKJXRYFJ-ZACQAIPSSA-N 1 2 333.863 3.122 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc(CCC)c1)C2 ZINC001097267597 1362906988 /nfs/dbraw/zinc/90/69/88/1362906988.db2.gz NKJFZLYKJXRYFJ-ZACQAIPSSA-N 1 2 333.863 3.122 20 30 EGEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3sccc3s1)C2 ZINC001097339225 1362941497 /nfs/dbraw/zinc/94/14/97/1362941497.db2.gz BXJLIOAKCKKTEA-UPJWGTAASA-N 1 2 330.478 3.321 20 30 EGEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3sccc3s1)C2 ZINC001097339225 1362941504 /nfs/dbraw/zinc/94/15/04/1362941504.db2.gz BXJLIOAKCKKTEA-UPJWGTAASA-N 1 2 330.478 3.321 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCCCN1c1nc(C)[nH+]c(C)c1C ZINC001097452461 1362998428 /nfs/dbraw/zinc/99/84/28/1362998428.db2.gz VQKIDJACUMQLLF-KDOFPFPSSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCCN1c1nc(C)[nH+]c(C)c1C ZINC001097458652 1363002623 /nfs/dbraw/zinc/00/26/23/1363002623.db2.gz NBTPBTLKKDLZJM-PXNSSMCTSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H]2CCCCN2c2nc(C)[nH+]c(C)c2C)C1 ZINC001097464679 1363006400 /nfs/dbraw/zinc/00/64/00/1363006400.db2.gz XGFYUCIALVCMAS-QGZVFWFLSA-N 1 2 342.487 3.233 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cc(C)ccc1OC)C2 ZINC001097465486 1363006736 /nfs/dbraw/zinc/00/67/36/1363006736.db2.gz JVJXTQBIPAEMGE-ZACQAIPSSA-N 1 2 348.874 3.020 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cc(C)ccc1OC)C2 ZINC001097465486 1363006740 /nfs/dbraw/zinc/00/67/40/1363006740.db2.gz JVJXTQBIPAEMGE-ZACQAIPSSA-N 1 2 348.874 3.020 20 30 EGEDLO C=CCC1(C(=O)N[C@@H](C)[C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)CCC1 ZINC001097542984 1363050836 /nfs/dbraw/zinc/05/08/36/1363050836.db2.gz NIFYEFUOCBYULL-DOTOQJQBSA-N 1 2 342.487 3.253 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc(C)cs2)CC1 ZINC001097790055 1363121884 /nfs/dbraw/zinc/12/18/84/1363121884.db2.gz ZTDUMPXOPINUHU-ZACQAIPSSA-N 1 2 345.512 3.419 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc(C)cs2)CC1 ZINC001097790055 1363121886 /nfs/dbraw/zinc/12/18/86/1363121886.db2.gz ZTDUMPXOPINUHU-ZACQAIPSSA-N 1 2 345.512 3.419 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCOc3ccccc31)C2 ZINC001098041771 1363205489 /nfs/dbraw/zinc/20/54/89/1363205489.db2.gz FRPFEJPWDLJSSF-XBVQOTNRSA-N 1 2 346.858 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCOc3ccccc31)C2 ZINC001098041771 1363205490 /nfs/dbraw/zinc/20/54/90/1363205490.db2.gz FRPFEJPWDLJSSF-XBVQOTNRSA-N 1 2 346.858 3.027 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001098295372 1363287799 /nfs/dbraw/zinc/28/77/99/1363287799.db2.gz FACBQIIPEKPYDE-ZDUSSCGKSA-N 1 2 330.476 3.183 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1OCc3ccccc31)C2 ZINC001098299695 1363289779 /nfs/dbraw/zinc/28/97/79/1363289779.db2.gz UDGGQDUUHJVVQJ-BGTYHANMSA-N 1 2 346.858 3.122 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1OCc3ccccc31)C2 ZINC001098299695 1363289781 /nfs/dbraw/zinc/28/97/81/1363289781.db2.gz UDGGQDUUHJVVQJ-BGTYHANMSA-N 1 2 346.858 3.122 20 30 EGEDLO Cc1cc(N[C@H]2CCC[C@@H](NC(=O)C#CC3CC3)C2)nc(C(C)C)[nH+]1 ZINC001098621756 1363403080 /nfs/dbraw/zinc/40/30/80/1363403080.db2.gz VQKKFSAVKRJTIA-DLBZAZTESA-N 1 2 340.471 3.161 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccc(Cl)nc1 ZINC001098976049 1363550473 /nfs/dbraw/zinc/55/04/73/1363550473.db2.gz PTJJHXBFSBEGAL-UKRRQHHQSA-N 1 2 348.878 3.001 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccc(Cl)nc1 ZINC001098976049 1363550474 /nfs/dbraw/zinc/55/04/74/1363550474.db2.gz PTJJHXBFSBEGAL-UKRRQHHQSA-N 1 2 348.878 3.001 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccc(Cl)nc1 ZINC001098976047 1363550804 /nfs/dbraw/zinc/55/08/04/1363550804.db2.gz PTJJHXBFSBEGAL-DZGCQCFKSA-N 1 2 348.878 3.001 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccc(Cl)nc1 ZINC001098976047 1363550807 /nfs/dbraw/zinc/55/08/07/1363550807.db2.gz PTJJHXBFSBEGAL-DZGCQCFKSA-N 1 2 348.878 3.001 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1cc(F)ccc1F ZINC001098976684 1363551162 /nfs/dbraw/zinc/55/11/62/1363551162.db2.gz XCOWQBVQLLAHGV-CJNGLKHVSA-N 1 2 349.425 3.231 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1cc(F)ccc1F ZINC001098976684 1363551164 /nfs/dbraw/zinc/55/11/64/1363551164.db2.gz XCOWQBVQLLAHGV-CJNGLKHVSA-N 1 2 349.425 3.231 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(C(F)F)CC1 ZINC001099070362 1363606886 /nfs/dbraw/zinc/60/68/86/1363606886.db2.gz WSLZPFJABSBPOG-LBPRGKRZSA-N 1 2 334.838 3.391 20 30 EGEDLO Cc1cnc(C[N@@H+]2CC(C)(C)CC[C@@H]2CNC(=O)C#CC(C)(C)C)o1 ZINC001099069590 1363606079 /nfs/dbraw/zinc/60/60/79/1363606079.db2.gz JNRBNGXFODCIGW-MRXNPFEDSA-N 1 2 345.487 3.139 20 30 EGEDLO Cc1cnc(C[N@H+]2CC(C)(C)CC[C@@H]2CNC(=O)C#CC(C)(C)C)o1 ZINC001099069590 1363606082 /nfs/dbraw/zinc/60/60/82/1363606082.db2.gz JNRBNGXFODCIGW-MRXNPFEDSA-N 1 2 345.487 3.139 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(C(F)F)CC1 ZINC001099070362 1363606884 /nfs/dbraw/zinc/60/68/84/1363606884.db2.gz WSLZPFJABSBPOG-LBPRGKRZSA-N 1 2 334.838 3.391 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nonc1C ZINC001099188981 1363681999 /nfs/dbraw/zinc/68/19/99/1363681999.db2.gz LXUOTTWHSRHJOC-ZBFHGGJFSA-N 1 2 348.491 3.087 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nonc1C ZINC001099188981 1363682000 /nfs/dbraw/zinc/68/20/00/1363682000.db2.gz LXUOTTWHSRHJOC-ZBFHGGJFSA-N 1 2 348.491 3.087 20 30 EGEDLO C=C[C@H](CC(=O)NCC[C@H](C)Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC001099202809 1363689998 /nfs/dbraw/zinc/68/99/98/1363689998.db2.gz JZJUEUPFHDIILB-DOTOQJQBSA-N 1 2 338.455 3.452 20 30 EGEDLO C=C[C@H](CC(=O)NCC[C@@H](C)Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC001099202811 1363690270 /nfs/dbraw/zinc/69/02/70/1363690270.db2.gz JZJUEUPFHDIILB-NVXWUHKLSA-N 1 2 338.455 3.452 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCC2CCCCCC2)[C@H](O)C1 ZINC001099926311 1363987087 /nfs/dbraw/zinc/98/70/87/1363987087.db2.gz OJWHJGYHQXDGKZ-DLBZAZTESA-N 1 2 342.911 3.041 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCC2CCCCCC2)[C@H](O)C1 ZINC001099926311 1363987088 /nfs/dbraw/zinc/98/70/88/1363987088.db2.gz OJWHJGYHQXDGKZ-DLBZAZTESA-N 1 2 342.911 3.041 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCC2CCCCCC2)[C@H](O)C1 ZINC001099926313 1363987106 /nfs/dbraw/zinc/98/71/06/1363987106.db2.gz OJWHJGYHQXDGKZ-IAGOWNOFSA-N 1 2 342.911 3.041 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCC2CCCCCC2)[C@H](O)C1 ZINC001099926313 1363987107 /nfs/dbraw/zinc/98/71/07/1363987107.db2.gz OJWHJGYHQXDGKZ-IAGOWNOFSA-N 1 2 342.911 3.041 20 30 EGEDLO CC#CCCCC(=O)NCCN(CCC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001101223349 1364471660 /nfs/dbraw/zinc/47/16/60/1364471660.db2.gz BOJLNXNIVITAHU-UHFFFAOYSA-N 1 2 342.487 3.189 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCN(CCC)c1nc(C)[nH+]c(C)c1C ZINC001101224057 1364472644 /nfs/dbraw/zinc/47/26/44/1364472644.db2.gz UFOGKRTVKSBLKQ-UONOGXRCSA-N 1 2 332.492 3.193 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)CCC(C)(C)C)c1nccn12 ZINC001101649671 1364671845 /nfs/dbraw/zinc/67/18/45/1364671845.db2.gz RZAYSZDZNWIPLZ-HOTGVXAUSA-N 1 2 344.503 3.103 20 30 EGEDLO C=CC(C)(C)CC(=O)N(C)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001101810252 1364735898 /nfs/dbraw/zinc/73/58/98/1364735898.db2.gz WJEDRSRFMOHPLT-UHFFFAOYSA-N 1 2 330.476 3.136 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)Cn2c(C)cc3ccccc32)C1 ZINC001324628490 1387706747 /nfs/dbraw/zinc/70/67/47/1387706747.db2.gz LXGXXTHVCORJSA-IBGZPJMESA-N 1 2 345.874 3.283 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)Cn2c(C)cc3ccccc32)C1 ZINC001324628490 1387706749 /nfs/dbraw/zinc/70/67/49/1387706749.db2.gz LXGXXTHVCORJSA-IBGZPJMESA-N 1 2 345.874 3.283 20 30 EGEDLO C=CC(C)(C)CC(=O)N(CCC)[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102251416 1364965597 /nfs/dbraw/zinc/96/55/97/1364965597.db2.gz DDZHYJUTZAWYBZ-MRXNPFEDSA-N 1 2 330.476 3.205 20 30 EGEDLO C=CC(C)(C)CC(=O)N(C)[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102734633 1365194718 /nfs/dbraw/zinc/19/47/18/1365194718.db2.gz FMERQVGPGCYYFJ-MRXNPFEDSA-N 1 2 342.487 3.302 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCCCN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC001102858691 1365256340 /nfs/dbraw/zinc/25/63/40/1365256340.db2.gz SWKPZPUNVXHIRR-INIZCTEOSA-N 1 2 342.487 3.105 20 30 EGEDLO C=CCCC1(C(=O)NCC[C@H]2CCCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001102941451 1365306369 /nfs/dbraw/zinc/30/63/69/1365306369.db2.gz IRTQDTRNRDPSEG-QGZVFWFLSA-N 1 2 342.487 3.254 20 30 EGEDLO C=CCCC(=O)NC1(CNc2cc(C)[nH+]c(C3CC3)n2)CCCC1 ZINC001103407073 1365542243 /nfs/dbraw/zinc/54/22/43/1365542243.db2.gz KSAHLPQSCTVLSR-UHFFFAOYSA-N 1 2 328.460 3.470 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001103616330 1365679525 /nfs/dbraw/zinc/67/95/25/1365679525.db2.gz OCOZAJQKGSTPTQ-IAGOWNOFSA-N 1 2 330.476 3.428 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001104161810 1365932278 /nfs/dbraw/zinc/93/22/78/1365932278.db2.gz WNGMGDILZAWUFT-KBPBESRZSA-N 1 2 330.476 3.429 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001104163265 1365932866 /nfs/dbraw/zinc/93/28/66/1365932866.db2.gz HYBOYTBALTYIDM-HIFRSBDPSA-N 1 2 330.476 3.429 20 30 EGEDLO CC#CCCCC(=O)N(C)[C@@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104771425 1366164885 /nfs/dbraw/zinc/16/48/85/1366164885.db2.gz LYBAUMIBKJXZMQ-HNNXBMFYSA-N 1 2 342.487 3.116 20 30 EGEDLO Cc1nc(NCC[C@@H]2CCCCN2C(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001105065708 1366303303 /nfs/dbraw/zinc/30/33/03/1366303303.db2.gz ZZGMUPSRWUEFIX-INIZCTEOSA-N 1 2 328.460 3.018 20 30 EGEDLO Cc1cc(N[C@@H](CNC(=O)C#CC(C)C)C(C)C)nc(C(C)C)[nH+]1 ZINC001105180139 1366359081 /nfs/dbraw/zinc/35/90/81/1366359081.db2.gz BCCZTTZRBLPYNZ-INIZCTEOSA-N 1 2 330.476 3.121 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H](Nc1nc(C)[nH+]c2c1CCCC2)C(C)C ZINC001105255851 1366392497 /nfs/dbraw/zinc/39/24/97/1366392497.db2.gz JZAVFXVQHMQSLR-KRWDZBQOSA-N 1 2 344.503 3.429 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N(C)CCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001105536258 1366515963 /nfs/dbraw/zinc/51/59/63/1366515963.db2.gz TYQPRAJAEWOCGU-OAHLLOKOSA-N 1 2 344.503 3.161 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H](C)CCC(C)(C)C)CC2)C1 ZINC001105730922 1366588397 /nfs/dbraw/zinc/58/83/97/1366588397.db2.gz CNLLTOGPQLQECT-INIZCTEOSA-N 1 2 336.520 3.327 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C(C)(C)CC(C)(C)C)CC2)C1 ZINC001105734579 1366589395 /nfs/dbraw/zinc/58/93/95/1366589395.db2.gz YNTCHYREUVWELG-UHFFFAOYSA-N 1 2 336.520 3.327 20 30 EGEDLO CCN(CCNc1cc(C)[nH+]c(C(C)C)n1)C(=O)C#CC(C)(C)C ZINC001106751774 1366788551 /nfs/dbraw/zinc/78/85/51/1366788551.db2.gz KBETYPAEVPRWBI-UHFFFAOYSA-N 1 2 330.476 3.218 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccncc1Cl ZINC001109166482 1366984850 /nfs/dbraw/zinc/98/48/50/1366984850.db2.gz SRWNIDSLPONJFD-NJAFHUGGSA-N 1 2 345.874 3.150 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccncc1Cl ZINC001109166482 1366984852 /nfs/dbraw/zinc/98/48/52/1366984852.db2.gz SRWNIDSLPONJFD-NJAFHUGGSA-N 1 2 345.874 3.150 20 30 EGEDLO CC(C)[C@@H](C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001189325892 1366990390 /nfs/dbraw/zinc/99/03/90/1366990390.db2.gz BJTLCHLAUGHCMH-HNAYVOBHSA-N 1 2 345.462 3.412 20 30 EGEDLO CC(C)[C@@H](C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001189325892 1366990397 /nfs/dbraw/zinc/99/03/97/1366990397.db2.gz BJTLCHLAUGHCMH-HNAYVOBHSA-N 1 2 345.462 3.412 20 30 EGEDLO CC(C)[C@H](C)CC(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001189325888 1366990428 /nfs/dbraw/zinc/99/04/28/1366990428.db2.gz BJTLCHLAUGHCMH-BEFAXECRSA-N 1 2 345.462 3.412 20 30 EGEDLO CC(C)[C@H](C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001189325888 1366990433 /nfs/dbraw/zinc/99/04/33/1366990433.db2.gz BJTLCHLAUGHCMH-BEFAXECRSA-N 1 2 345.462 3.412 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nncs1)CC2 ZINC001107515532 1367013744 /nfs/dbraw/zinc/01/37/44/1367013744.db2.gz WCRXZCLPIMLANI-HDMKZQKVSA-N 1 2 348.516 3.001 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nncs1)CC2 ZINC001107515532 1367013749 /nfs/dbraw/zinc/01/37/49/1367013749.db2.gz WCRXZCLPIMLANI-HDMKZQKVSA-N 1 2 348.516 3.001 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)s1 ZINC001109245841 1367024125 /nfs/dbraw/zinc/02/41/25/1367024125.db2.gz CHKSLZPRZGQVDW-SNPRPXQTSA-N 1 2 336.888 3.282 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)s1 ZINC001109245841 1367024131 /nfs/dbraw/zinc/02/41/31/1367024131.db2.gz CHKSLZPRZGQVDW-SNPRPXQTSA-N 1 2 336.888 3.282 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H](C)CN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001109265534 1367033745 /nfs/dbraw/zinc/03/37/45/1367033745.db2.gz SCXVIXRNSANRHD-AWEZNQCLSA-N 1 2 344.503 3.207 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)C=C(CC)CC)C1 ZINC001189631781 1367073762 /nfs/dbraw/zinc/07/37/62/1367073762.db2.gz IWQWTHMXKXUDDD-CQSZACIVSA-N 1 2 329.282 3.174 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)C=C(CC)CC)C1 ZINC001189631781 1367073763 /nfs/dbraw/zinc/07/37/63/1367073763.db2.gz IWQWTHMXKXUDDD-CQSZACIVSA-N 1 2 329.282 3.174 20 30 EGEDLO C#CCC1(C(=O)N(C)CCCNc2cc[nH+]c(C)n2)CCCCC1 ZINC001109469098 1367142168 /nfs/dbraw/zinc/14/21/68/1367142168.db2.gz CTYDURQZLXMPLW-UHFFFAOYSA-N 1 2 328.460 3.019 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)CCCC)C1 ZINC001189973859 1367143764 /nfs/dbraw/zinc/14/37/64/1367143764.db2.gz RRGZSGNCYQIFDF-OCCSQVGLSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)CCCC)C1 ZINC001189973859 1367143768 /nfs/dbraw/zinc/14/37/68/1367143768.db2.gz RRGZSGNCYQIFDF-OCCSQVGLSA-N 1 2 331.298 3.254 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC001190053040 1367161463 /nfs/dbraw/zinc/16/14/63/1367161463.db2.gz CSTUNNNONMBUSZ-HZPDHXFCSA-N 1 2 345.487 3.225 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC001190053040 1367161465 /nfs/dbraw/zinc/16/14/65/1367161465.db2.gz CSTUNNNONMBUSZ-HZPDHXFCSA-N 1 2 345.487 3.225 20 30 EGEDLO CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001190271428 1367213827 /nfs/dbraw/zinc/21/38/27/1367213827.db2.gz YGFALZNYRBPQFM-QWHCGFSZSA-N 1 2 326.378 3.390 20 30 EGEDLO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001190271428 1367213831 /nfs/dbraw/zinc/21/38/31/1367213831.db2.gz YGFALZNYRBPQFM-QWHCGFSZSA-N 1 2 326.378 3.390 20 30 EGEDLO CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001190271428 1367213835 /nfs/dbraw/zinc/21/38/35/1367213835.db2.gz YGFALZNYRBPQFM-QWHCGFSZSA-N 1 2 326.378 3.390 20 30 EGEDLO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001190271428 1367213841 /nfs/dbraw/zinc/21/38/41/1367213841.db2.gz YGFALZNYRBPQFM-QWHCGFSZSA-N 1 2 326.378 3.390 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N[C@H](C)CNc1cc(C)[nH+]c(C(C)C)n1)OCC ZINC001107965903 1367220384 /nfs/dbraw/zinc/22/03/84/1367220384.db2.gz RWOVDIPOECLLEG-HZPDHXFCSA-N 1 2 348.491 3.196 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001190355440 1367238351 /nfs/dbraw/zinc/23/83/51/1367238351.db2.gz ZWIWZSIHGOOUNA-GOSISDBHSA-N 1 2 343.471 3.353 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001190355440 1367238355 /nfs/dbraw/zinc/23/83/55/1367238355.db2.gz ZWIWZSIHGOOUNA-GOSISDBHSA-N 1 2 343.471 3.353 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)c(C)s1 ZINC001109627276 1367245485 /nfs/dbraw/zinc/24/54/85/1367245485.db2.gz JTEFVQSWRFYBMR-IKGGRYGDSA-N 1 2 345.512 3.175 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)c(C)s1 ZINC001109627276 1367245490 /nfs/dbraw/zinc/24/54/90/1367245490.db2.gz JTEFVQSWRFYBMR-IKGGRYGDSA-N 1 2 345.512 3.175 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001109634424 1367253304 /nfs/dbraw/zinc/25/33/04/1367253304.db2.gz MDUGGAAUVYFVST-ZSGPHXLJSA-N 1 2 331.435 3.045 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1 ZINC001109634424 1367253309 /nfs/dbraw/zinc/25/33/09/1367253309.db2.gz MDUGGAAUVYFVST-ZSGPHXLJSA-N 1 2 331.435 3.045 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001109634775 1367254000 /nfs/dbraw/zinc/25/40/00/1367254000.db2.gz XCDMIPSEZDOUSX-NBMRYCAZSA-N 1 2 331.435 3.045 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001109634775 1367254005 /nfs/dbraw/zinc/25/40/05/1367254005.db2.gz XCDMIPSEZDOUSX-NBMRYCAZSA-N 1 2 331.435 3.045 20 30 EGEDLO CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(C#N)c2)CC1 ZINC001109677563 1367276831 /nfs/dbraw/zinc/27/68/31/1367276831.db2.gz ZOMSDISLANNQRT-NJAFHUGGSA-N 1 2 341.430 3.109 20 30 EGEDLO CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(C#N)c2)CC1 ZINC001109677563 1367276833 /nfs/dbraw/zinc/27/68/33/1367276833.db2.gz ZOMSDISLANNQRT-NJAFHUGGSA-N 1 2 341.430 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ZINC001190595971 1367302192 /nfs/dbraw/zinc/30/21/92/1367302192.db2.gz VEFYUDWOEMSBRZ-HNNXBMFYSA-N 1 2 346.421 3.191 20 30 EGEDLO C#CCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3c(F)cccc3F)C2)CCC1 ZINC001190595971 1367302197 /nfs/dbraw/zinc/30/21/97/1367302197.db2.gz VEFYUDWOEMSBRZ-HNNXBMFYSA-N 1 2 346.421 3.191 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@]1(C)C[N@H+](Cc2ccsc2)CCO1 ZINC001108148834 1367310322 /nfs/dbraw/zinc/31/03/22/1367310322.db2.gz OTMJZUKFPHYTEI-YJBOKZPZSA-N 1 2 336.501 3.058 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@]1(C)C[N@@H+](Cc2ccsc2)CCO1 ZINC001108148834 1367310328 /nfs/dbraw/zinc/31/03/28/1367310328.db2.gz OTMJZUKFPHYTEI-YJBOKZPZSA-N 1 2 336.501 3.058 20 30 EGEDLO CC(C)[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109784409 1367323126 /nfs/dbraw/zinc/32/31/26/1367323126.db2.gz RWDSCVPMLXWVPY-VLQPXKRTSA-N 1 2 325.456 3.072 20 30 EGEDLO CC(C)[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109784409 1367323129 /nfs/dbraw/zinc/32/31/29/1367323129.db2.gz RWDSCVPMLXWVPY-VLQPXKRTSA-N 1 2 325.456 3.072 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@](C)(F)CCCC)C1 ZINC001191038637 1367406001 /nfs/dbraw/zinc/40/60/01/1367406001.db2.gz AOQWTDPBPQHQNF-DZGCQCFKSA-N 1 2 349.288 3.346 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@](C)(F)CCCC)C1 ZINC001191038637 1367406005 /nfs/dbraw/zinc/40/60/05/1367406005.db2.gz AOQWTDPBPQHQNF-DZGCQCFKSA-N 1 2 349.288 3.346 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001108363037 1367412152 /nfs/dbraw/zinc/41/21/52/1367412152.db2.gz UQRZRGRHXUHBNQ-INIZCTEOSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001108363037 1367412154 /nfs/dbraw/zinc/41/21/54/1367412154.db2.gz UQRZRGRHXUHBNQ-INIZCTEOSA-N 1 2 343.254 3.000 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001191753353 1367576758 /nfs/dbraw/zinc/57/67/58/1367576758.db2.gz AUEOSOBJHFIRIR-QGZVFWFLSA-N 1 2 343.471 3.168 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001191753353 1367576763 /nfs/dbraw/zinc/57/67/63/1367576763.db2.gz AUEOSOBJHFIRIR-QGZVFWFLSA-N 1 2 343.471 3.168 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)CC(C)=C(C)C)C1 ZINC001191764129 1367580638 /nfs/dbraw/zinc/58/06/38/1367580638.db2.gz RJHLXIRFQBGIOD-CQSZACIVSA-N 1 2 329.282 3.174 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)CC(C)=C(C)C)C1 ZINC001191764129 1367580646 /nfs/dbraw/zinc/58/06/46/1367580646.db2.gz RJHLXIRFQBGIOD-CQSZACIVSA-N 1 2 329.282 3.174 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001191912854 1367636750 /nfs/dbraw/zinc/63/67/50/1367636750.db2.gz RGLGLHHAGFSRCK-GOEBONIOSA-N 1 2 331.460 3.187 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001191912854 1367636754 /nfs/dbraw/zinc/63/67/54/1367636754.db2.gz RGLGLHHAGFSRCK-GOEBONIOSA-N 1 2 331.460 3.187 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2csc(CCC)n2)C1 ZINC001192072568 1367681101 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CCC[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001195374537 1368430161 /nfs/dbraw/zinc/43/01/61/1368430161.db2.gz WQRLECDPEHAWES-HNNXBMFYSA-N 1 2 331.435 3.168 20 30 EGEDLO CCC[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001195374537 1368430163 /nfs/dbraw/zinc/43/01/63/1368430163.db2.gz WQRLECDPEHAWES-HNNXBMFYSA-N 1 2 331.435 3.168 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cscn1)C2 ZINC001111759955 1368448020 /nfs/dbraw/zinc/44/80/20/1368448020.db2.gz RLAFIUMEPNUTQW-LPHOPBHVSA-N 1 2 345.512 3.382 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cscn1)C2 ZINC001111759955 1368448022 /nfs/dbraw/zinc/44/80/22/1368448022.db2.gz RLAFIUMEPNUTQW-LPHOPBHVSA-N 1 2 345.512 3.382 20 30 EGEDLO C#CCC1(C(=O)N2CCC[N@@H+](Cc3ccc(F)c(F)c3)CC2)CCC1 ZINC001196139248 1368556460 /nfs/dbraw/zinc/55/64/60/1368556460.db2.gz VHHKZBLRFWBMDR-UHFFFAOYSA-N 1 2 346.421 3.193 20 30 EGEDLO C#CCC1(C(=O)N2CCC[N@H+](Cc3ccc(F)c(F)c3)CC2)CCC1 ZINC001196139248 1368556464 /nfs/dbraw/zinc/55/64/64/1368556464.db2.gz VHHKZBLRFWBMDR-UHFFFAOYSA-N 1 2 346.421 3.193 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001112011901 1368615407 /nfs/dbraw/zinc/61/54/07/1368615407.db2.gz IGPYLKZOXVIHII-INIZCTEOSA-N 1 2 330.476 3.089 20 30 EGEDLO C=CCC1(C(=O)N2C[C@H](Nc3cc[nH+]c(C)n3)[C@@H](C)C2)CCCC1 ZINC001112318424 1368763169 /nfs/dbraw/zinc/76/31/69/1368763169.db2.gz PGIKAPGDVWECQY-HOCLYGCPSA-N 1 2 328.460 3.180 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[N@H+](Cc2nc3ccccc3o2)CC1 ZINC001197291595 1368781346 /nfs/dbraw/zinc/78/13/46/1368781346.db2.gz HMGABMVALHRYNN-UHFFFAOYSA-N 1 2 341.455 3.464 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[N@@H+](Cc2nc3ccccc3o2)CC1 ZINC001197291595 1368781349 /nfs/dbraw/zinc/78/13/49/1368781349.db2.gz HMGABMVALHRYNN-UHFFFAOYSA-N 1 2 341.455 3.464 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001197292264 1368782058 /nfs/dbraw/zinc/78/20/58/1368782058.db2.gz UQUSAIYZXOCWAZ-UHFFFAOYSA-N 1 2 331.485 3.256 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001197292264 1368782059 /nfs/dbraw/zinc/78/20/59/1368782059.db2.gz UQUSAIYZXOCWAZ-UHFFFAOYSA-N 1 2 331.485 3.256 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001112367903 1368796545 /nfs/dbraw/zinc/79/65/45/1368796545.db2.gz SHGFRSBZBXMUSP-MRXNPFEDSA-N 1 2 330.476 3.089 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001112379907 1368807388 /nfs/dbraw/zinc/80/73/88/1368807388.db2.gz PQPNUFRONNSSCG-KRWDZBQOSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001112383489 1368811795 /nfs/dbraw/zinc/81/17/95/1368811795.db2.gz ZLSOJVQLCWLEBW-HOTGVXAUSA-N 1 2 330.476 3.108 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001112386102 1368815284 /nfs/dbraw/zinc/81/52/84/1368815284.db2.gz PAVKDLXNGVJFSV-HNNXBMFYSA-N 1 2 330.476 3.108 20 30 EGEDLO C=CCCC(=O)N(C)[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001112618873 1368950352 /nfs/dbraw/zinc/95/03/52/1368950352.db2.gz UJBCTODPRKXWIE-QGZVFWFLSA-N 1 2 342.487 3.446 20 30 EGEDLO CC(C)(C)C#CC(=O)N1CC[NH+](CCc2ccccc2Cl)CC1 ZINC001112837157 1369036575 /nfs/dbraw/zinc/03/65/75/1369036575.db2.gz UUXWACKZPMLGTL-UHFFFAOYSA-N 1 2 332.875 3.076 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[NH+](Cc2sc(C)nc2C)CC1 ZINC001112880838 1369064713 /nfs/dbraw/zinc/06/47/13/1369064713.db2.gz RRCZBRUCMCXCSX-UHFFFAOYSA-N 1 2 333.501 3.173 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1)OCC ZINC001112909785 1369086110 /nfs/dbraw/zinc/08/61/10/1369086110.db2.gz ZCVAJTBFJFXWHN-QFBILLFUSA-N 1 2 348.462 3.402 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H]([NH2+]CC(=C)Cl)c1ccccc1OC ZINC001198677164 1369089352 /nfs/dbraw/zinc/08/93/52/1369089352.db2.gz IMQXQUSQBIUFBV-QGZVFWFLSA-N 1 2 348.874 3.388 20 30 EGEDLO C#CCCCCC(=O)N[C@@H](C)[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001112973055 1369117871 /nfs/dbraw/zinc/11/78/71/1369117871.db2.gz DXHNUYSHPDXWDH-CABCVRRESA-N 1 2 328.460 3.161 20 30 EGEDLO Cc1cc(N[C@H](C)[C@H](C)NC(=O)C#CC(C)(C)C)nc(C2CC2)[nH+]1 ZINC001113003633 1369131246 /nfs/dbraw/zinc/13/12/46/1369131246.db2.gz DUQVXAPKBVUFKZ-KGLIPLIRSA-N 1 2 328.460 3.017 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)C1CC2(CC2)C1)c1ccccc1OC ZINC001198902137 1369144232 /nfs/dbraw/zinc/14/42/32/1369144232.db2.gz GIVNULNZIYJRIV-INIZCTEOSA-N 1 2 348.874 3.385 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC[NH+](CCOC2CCCCCC2)CC1 ZINC001113228931 1369276989 /nfs/dbraw/zinc/27/69/89/1369276989.db2.gz AAIXIZHORWSUBT-MSOLQXFVSA-N 1 2 336.520 3.328 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](CCOc2cc(C)cc(C)c2)CC1 ZINC001113246508 1369290071 /nfs/dbraw/zinc/29/00/71/1369290071.db2.gz PAQVREJCCSQYDZ-LJQANCHMSA-N 1 2 344.499 3.429 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC001113248403 1369290238 /nfs/dbraw/zinc/29/02/38/1369290238.db2.gz YKILGBJNGZQFEB-KGLIPLIRSA-N 1 2 333.303 3.317 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3cccc(N(C)C)c3)CC2)CCC1 ZINC001113312598 1369339821 /nfs/dbraw/zinc/33/98/21/1369339821.db2.gz DKBQULGYFFYBBD-UHFFFAOYSA-N 1 2 341.499 3.143 20 30 EGEDLO CC(C)CCC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001186794813 1388009512 /nfs/dbraw/zinc/00/95/12/1388009512.db2.gz GTZVZKYYYTVAIE-QFBILLFUSA-N 1 2 343.446 3.166 20 30 EGEDLO CC(C)CCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001186794813 1388009513 /nfs/dbraw/zinc/00/95/13/1388009513.db2.gz GTZVZKYYYTVAIE-QFBILLFUSA-N 1 2 343.446 3.166 20 30 EGEDLO O=C(CC#Cc1ccccc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001113668484 1369556207 /nfs/dbraw/zinc/55/62/07/1369556207.db2.gz KMTYSOYPNIDGJO-ZSOIEALJSA-N 1 2 344.458 3.286 20 30 EGEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc([C@@H](C)CC)cc2)CC1 ZINC001113691150 1369567856 /nfs/dbraw/zinc/56/78/56/1369567856.db2.gz KFKCXEXXIDDDLY-KRWDZBQOSA-N 1 2 330.472 3.161 20 30 EGEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC001113713026 1369581489 /nfs/dbraw/zinc/58/14/89/1369581489.db2.gz JWQIYISYIXBRQS-KBXCAEBGSA-N 1 2 348.874 3.063 20 30 EGEDLO CCCCCCC[NH+]1CC2(C1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001201761746 1369618449 /nfs/dbraw/zinc/61/84/49/1369618449.db2.gz QQRTZJUKDJACFG-UHFFFAOYSA-N 1 2 326.481 3.279 20 30 EGEDLO CCCC[C@@H](CNc1cc(C)[nH+]c(C2CC2)n1)NC(=O)C#CC1CC1 ZINC001114254430 1369830674 /nfs/dbraw/zinc/83/06/74/1369830674.db2.gz JXKHLXNWUSLVAL-KRWDZBQOSA-N 1 2 340.471 3.163 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]([NH2+]CC(F)(F)C(F)F)C12CCC2 ZINC001202796652 1369896055 /nfs/dbraw/zinc/89/60/55/1369896055.db2.gz YYFQATFDUVYEQW-QWHCGFSZSA-N 1 2 348.384 3.097 20 30 EGEDLO C=CCCC(=O)NC[C@H]1CCCCCN1c1nc(C)[nH+]c(C)c1C ZINC001114349734 1369906150 /nfs/dbraw/zinc/90/61/50/1369906150.db2.gz NHNQUTKFODKXDI-QGZVFWFLSA-N 1 2 330.476 3.233 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)CC1(C)C ZINC001114476497 1369966342 /nfs/dbraw/zinc/96/63/42/1369966342.db2.gz IPNSRHHKHMYYKL-HNNXBMFYSA-N 1 2 342.487 3.206 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC001114679387 1370021153 /nfs/dbraw/zinc/02/11/53/1370021153.db2.gz XLQHDFGONCDFKB-ZSHCYNCHSA-N 1 2 345.512 3.169 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC001114679387 1370021155 /nfs/dbraw/zinc/02/11/55/1370021155.db2.gz XLQHDFGONCDFKB-ZSHCYNCHSA-N 1 2 345.512 3.169 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccn(C(CC)CC)n3)C[C@H]21 ZINC001114683483 1370023847 /nfs/dbraw/zinc/02/38/47/1370023847.db2.gz PYHNRUGQYHUYAM-PIIMJCKOSA-N 1 2 344.503 3.003 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccn(C(CC)CC)n3)C[C@H]21 ZINC001114683483 1370023851 /nfs/dbraw/zinc/02/38/51/1370023851.db2.gz PYHNRUGQYHUYAM-PIIMJCKOSA-N 1 2 344.503 3.003 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC001114723059 1370045565 /nfs/dbraw/zinc/04/55/65/1370045565.db2.gz RTRMRXBXARYFLU-KMANFZQXSA-N 1 2 347.528 3.244 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC001114723059 1370045568 /nfs/dbraw/zinc/04/55/68/1370045568.db2.gz RTRMRXBXARYFLU-KMANFZQXSA-N 1 2 347.528 3.244 20 30 EGEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1ccc(C)o1)CC2 ZINC001203292117 1370065135 /nfs/dbraw/zinc/06/51/35/1370065135.db2.gz LIFRHRAJWJNGBG-UHFFFAOYSA-N 1 2 341.455 3.455 20 30 EGEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1ccc(C)o1)CC2 ZINC001203292117 1370065138 /nfs/dbraw/zinc/06/51/38/1370065138.db2.gz LIFRHRAJWJNGBG-UHFFFAOYSA-N 1 2 341.455 3.455 20 30 EGEDLO Cc1cc(NC[C@H]2C[C@H](NC(=O)C#CC(C)(C)C)C2)nc(C2CC2)[nH+]1 ZINC001114766851 1370069536 /nfs/dbraw/zinc/06/95/36/1370069536.db2.gz QALPCHLIKYBJMS-KOMQPUFPSA-N 1 2 340.471 3.019 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1C[C@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001114807202 1370090586 /nfs/dbraw/zinc/09/05/86/1370090586.db2.gz QUYLUSDNJXSYBX-QAQDUYKDSA-N 1 2 342.487 3.409 20 30 EGEDLO CC[C@@H](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001115008314 1370208335 /nfs/dbraw/zinc/20/83/35/1370208335.db2.gz YQIPDGALSKZCOS-ULLKRIBWSA-N 1 2 343.446 3.070 20 30 EGEDLO CC[C@@H](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001115008314 1370208339 /nfs/dbraw/zinc/20/83/39/1370208339.db2.gz YQIPDGALSKZCOS-ULLKRIBWSA-N 1 2 343.446 3.070 20 30 EGEDLO CN1CC[NH+](Cc2ccccc2Nc2cc(F)c(C#N)c(F)c2)CC1 ZINC001203675471 1370212392 /nfs/dbraw/zinc/21/23/92/1370212392.db2.gz KHYGKIPMLJJIIK-UHFFFAOYSA-N 1 2 342.393 3.327 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc4c(c3)CCC4=O)CC2)cc1 ZINC001203907191 1370310052 /nfs/dbraw/zinc/31/00/52/1370310052.db2.gz QRIQYOSYXADMLM-UHFFFAOYSA-N 1 2 331.419 3.009 20 30 EGEDLO CC(C)(C)OC(=O)NC1CC2(C1)C[NH+](Cc1ccccc1C#N)C2 ZINC001204371963 1370457536 /nfs/dbraw/zinc/45/75/36/1370457536.db2.gz RKXAQOMYBPMEJA-UHFFFAOYSA-N 1 2 327.428 3.047 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001204446965 1370479212 /nfs/dbraw/zinc/47/92/12/1370479212.db2.gz YJAYMEXJNFVUES-SFHVURJKSA-N 1 2 339.464 3.263 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001204446965 1370479213 /nfs/dbraw/zinc/47/92/13/1370479213.db2.gz YJAYMEXJNFVUES-SFHVURJKSA-N 1 2 339.464 3.263 20 30 EGEDLO C=CC[C@@H](C(=O)N(C)C[C@@H](C)Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC001115742681 1370722285 /nfs/dbraw/zinc/72/22/85/1370722285.db2.gz ITLQZMGCFMZBHN-CRAIPNDOSA-N 1 2 338.455 3.404 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC001187341368 1388097189 /nfs/dbraw/zinc/09/71/89/1388097189.db2.gz TWFBIRYUHNMXTR-OAHLLOKOSA-N 1 2 336.480 3.073 20 30 EGEDLO C#CC[N@@H+](CC)CC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC001116209095 1370860123 /nfs/dbraw/zinc/86/01/23/1370860123.db2.gz IATCWDZNSSYVHQ-UHFFFAOYSA-N 1 2 332.753 3.190 20 30 EGEDLO C#CC[N@H+](CC)CC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC001116209095 1370860129 /nfs/dbraw/zinc/86/01/29/1370860129.db2.gz IATCWDZNSSYVHQ-UHFFFAOYSA-N 1 2 332.753 3.190 20 30 EGEDLO COc1cccc(-c2cc(C[NH+]3CCOCC3)ccc2OC)c1C#N ZINC001206519549 1371081553 /nfs/dbraw/zinc/08/15/53/1371081553.db2.gz HSPHQGQXKZOVED-UHFFFAOYSA-N 1 2 338.407 3.075 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)OC2CCCCC2)C1 ZINC001206971711 1371252421 /nfs/dbraw/zinc/25/24/21/1371252421.db2.gz YKEKHRMMLHBQJE-XYPHTWIQSA-N 1 2 342.911 3.303 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)OC2CCCCC2)C1 ZINC001206971711 1371252426 /nfs/dbraw/zinc/25/24/26/1371252426.db2.gz YKEKHRMMLHBQJE-XYPHTWIQSA-N 1 2 342.911 3.303 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc(CCCC)no2)C[C@H]1C ZINC001207200737 1371327355 /nfs/dbraw/zinc/32/73/55/1371327355.db2.gz PFEYLBUPEWQBNF-BZUAXINKSA-N 1 2 348.491 3.266 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc(CCCC)no2)C[C@H]1C ZINC001207200737 1371327359 /nfs/dbraw/zinc/32/73/59/1371327359.db2.gz PFEYLBUPEWQBNF-BZUAXINKSA-N 1 2 348.491 3.266 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC[C@H]([NH2+]Cc2nc(C(C)C)no2)C1 ZINC001208195207 1371634840 /nfs/dbraw/zinc/63/48/40/1371634840.db2.gz YIPNXOIAAMGIQB-INIZCTEOSA-N 1 2 346.475 3.042 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC001208261889 1371688547 /nfs/dbraw/zinc/68/85/47/1371688547.db2.gz UITJPBZXFGYQSY-GJZGRUSLSA-N 1 2 348.491 3.365 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(Cl)n3)C[C@H]2C)CCC1 ZINC001208498128 1371788278 /nfs/dbraw/zinc/78/82/78/1371788278.db2.gz LITNEAFTSGSEDN-GDBMZVCRSA-N 1 2 347.890 3.418 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cccc(Cl)n3)C[C@H]2C)CCC1 ZINC001208498128 1371788282 /nfs/dbraw/zinc/78/82/82/1371788282.db2.gz LITNEAFTSGSEDN-GDBMZVCRSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001208509245 1371793605 /nfs/dbraw/zinc/79/36/05/1371793605.db2.gz XMFKMVHQDKQJKG-DDUZABMNSA-N 1 2 335.879 3.274 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001208509245 1371793608 /nfs/dbraw/zinc/79/36/08/1371793608.db2.gz XMFKMVHQDKQJKG-DDUZABMNSA-N 1 2 335.879 3.274 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2ccccc2F)C1 ZINC001208597334 1371835306 /nfs/dbraw/zinc/83/53/06/1371835306.db2.gz MSKCQUHCSSOKQY-OGHNNQOOSA-N 1 2 338.854 3.193 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2ccccc2F)C1 ZINC001208597334 1371835308 /nfs/dbraw/zinc/83/53/08/1371835308.db2.gz MSKCQUHCSSOKQY-OGHNNQOOSA-N 1 2 338.854 3.193 20 30 EGEDLO N#Cc1cccc(CCC[N@@H+]2Cc3cnn(C4CCOCC4)c3C2)c1 ZINC001208853960 1371919179 /nfs/dbraw/zinc/91/91/79/1371919179.db2.gz DMNGCEVGHATPBP-UHFFFAOYSA-N 1 2 336.439 3.055 20 30 EGEDLO N#Cc1cccc(CCC[N@H+]2Cc3cnn(C4CCOCC4)c3C2)c1 ZINC001208853960 1371919182 /nfs/dbraw/zinc/91/91/82/1371919182.db2.gz DMNGCEVGHATPBP-UHFFFAOYSA-N 1 2 336.439 3.055 20 30 EGEDLO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1CCCc1ccc(C#N)cc1 ZINC001208862894 1371923287 /nfs/dbraw/zinc/92/32/87/1371923287.db2.gz RGUPFWHKPDPZGD-HXUWFJFHSA-N 1 2 334.419 3.091 20 30 EGEDLO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1CCCc1ccc(C#N)cc1 ZINC001208862894 1371923295 /nfs/dbraw/zinc/92/32/95/1371923295.db2.gz RGUPFWHKPDPZGD-HXUWFJFHSA-N 1 2 334.419 3.091 20 30 EGEDLO N#Cc1ccc(CCC[N@@H+]2Cc3cnn(C4CCOCC4)c3C2)cc1 ZINC001208863760 1371923563 /nfs/dbraw/zinc/92/35/63/1371923563.db2.gz DJPLPQOEVYQYJS-UHFFFAOYSA-N 1 2 336.439 3.055 20 30 EGEDLO N#Cc1ccc(CCC[N@H+]2Cc3cnn(C4CCOCC4)c3C2)cc1 ZINC001208863760 1371923564 /nfs/dbraw/zinc/92/35/64/1371923564.db2.gz DJPLPQOEVYQYJS-UHFFFAOYSA-N 1 2 336.439 3.055 20 30 EGEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@](C)(CCC)C1 ZINC001121714922 1372057435 /nfs/dbraw/zinc/05/74/35/1372057435.db2.gz JFTDXVBFTULKHQ-LJQANCHMSA-N 1 2 342.491 3.195 20 30 EGEDLO N#Cc1ccc(C[NH+](Cc2ccc(C#N)cc2)Cc2cnccn2)cc1 ZINC001209788318 1372197512 /nfs/dbraw/zinc/19/75/12/1372197512.db2.gz LDLXOCMTPVNASX-UHFFFAOYSA-N 1 2 339.402 3.422 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2nc(C(C)C)no2)C1 ZINC001209874199 1372219832 /nfs/dbraw/zinc/21/98/32/1372219832.db2.gz HHQVXZGUTFCPPX-LSDHHAIUSA-N 1 2 348.491 3.437 20 30 EGEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(CC)C[C@@H](C)CC ZINC001122490748 1372257747 /nfs/dbraw/zinc/25/77/47/1372257747.db2.gz STIZNECTNADLIH-HNNXBMFYSA-N 1 2 330.480 3.051 20 30 EGEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)CCC(C)C ZINC001122628646 1372287214 /nfs/dbraw/zinc/28/72/14/1372287214.db2.gz ASAZSSQPTROBJT-KRWDZBQOSA-N 1 2 349.523 3.118 20 30 EGEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)CCC(C)C ZINC001122628646 1372287216 /nfs/dbraw/zinc/28/72/16/1372287216.db2.gz ASAZSSQPTROBJT-KRWDZBQOSA-N 1 2 349.523 3.118 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001123289242 1372415436 /nfs/dbraw/zinc/41/54/36/1372415436.db2.gz KSKRFGUMMBJJOE-ZBFHGGJFSA-N 1 2 328.460 3.420 20 30 EGEDLO C=CCCCC(=O)N1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C[C@@H]1C ZINC001123308895 1372420847 /nfs/dbraw/zinc/42/08/47/1372420847.db2.gz HRLMHVFUGJYJLM-GOEBONIOSA-N 1 2 342.487 3.421 20 30 EGEDLO CCCCCCCCC(=O)N1CCC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001210804772 1372430032 /nfs/dbraw/zinc/43/00/32/1372430032.db2.gz MNVMEWNRIZSXES-INIZCTEOSA-N 1 2 336.480 3.209 20 30 EGEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2CCC[C@H](Nc3cc[nH+]c(C)n3)[C@H]2C1 ZINC001123499219 1372490522 /nfs/dbraw/zinc/49/05/22/1372490522.db2.gz YIIFOWUBRDZOIQ-ULQDDVLXSA-N 1 2 342.487 3.426 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@@H]([NH2+]Cc3cnsn3)C2)CCCCC1 ZINC001211214177 1372504194 /nfs/dbraw/zinc/50/41/94/1372504194.db2.gz XYLLHVWKVOONFH-OAHLLOKOSA-N 1 2 348.516 3.145 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001123660838 1372546192 /nfs/dbraw/zinc/54/61/92/1372546192.db2.gz HHYXFKBPOPQOIE-AEFFLSMTSA-N 1 2 342.487 3.069 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3nocc3C)C[C@H]2C)CCCC1 ZINC001211495618 1372568489 /nfs/dbraw/zinc/56/84/89/1372568489.db2.gz QIZNUQZDWWZSGY-GDBMZVCRSA-N 1 2 331.460 3.056 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3nocc3C)C[C@H]2C)CCCC1 ZINC001211495618 1372568493 /nfs/dbraw/zinc/56/84/93/1372568493.db2.gz QIZNUQZDWWZSGY-GDBMZVCRSA-N 1 2 331.460 3.056 20 30 EGEDLO N#Cc1ccc(-c2noc([C@H]3CC[NH2+]CC3(F)F)n2)c2ccccc12 ZINC001211579848 1372584726 /nfs/dbraw/zinc/58/47/26/1372584726.db2.gz KCPRISKXJFTSHW-OAHLLOKOSA-N 1 2 340.333 3.474 20 30 EGEDLO C=CCC(CC=C)C(=O)N1C[C@@H](Nc2cc[nH+]c(C)n2)C(C)(C)C1 ZINC001123979361 1372645124 /nfs/dbraw/zinc/64/51/24/1372645124.db2.gz IOEUOWFVBAEWNC-MRXNPFEDSA-N 1 2 328.460 3.202 20 30 EGEDLO N#Cc1cc(Nc2cc(Br)cn3cc[nH+]c23)ccc1N ZINC001213429555 1372905573 /nfs/dbraw/zinc/90/55/73/1372905573.db2.gz ODUTXGACDBVJDH-UHFFFAOYSA-N 1 2 328.173 3.294 20 30 EGEDLO N#Cc1cnccc1Nc1cc[nH+]c2ccc(Br)cc12 ZINC001214004816 1372992856 /nfs/dbraw/zinc/99/28/56/1372992856.db2.gz UMCSMCTVQMDYLL-UHFFFAOYSA-N 1 2 325.169 3.429 20 30 EGEDLO C=C(C)CCC(=O)N(CC)[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001126819513 1373034692 /nfs/dbraw/zinc/03/46/92/1373034692.db2.gz UTVRGTADQRJLQZ-QGZVFWFLSA-N 1 2 330.476 3.349 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC001214746036 1373114264 /nfs/dbraw/zinc/11/42/64/1373114264.db2.gz TVWYCSXBCILVQZ-RBSFLKMASA-N 1 2 348.491 3.221 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)c3ccoc3)c2C1 ZINC001128187803 1373231841 /nfs/dbraw/zinc/23/18/41/1373231841.db2.gz VAQZWWWVRVLGRU-UHFFFAOYSA-N 1 2 344.459 3.192 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)c3ccoc3)c2C1 ZINC001128187803 1373231846 /nfs/dbraw/zinc/23/18/46/1373231846.db2.gz VAQZWWWVRVLGRU-UHFFFAOYSA-N 1 2 344.459 3.192 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@H](C)CCC)c2C1 ZINC001128264205 1373243323 /nfs/dbraw/zinc/24/33/23/1373243323.db2.gz KQRNFZQDQVEQKQ-QGZVFWFLSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@H](C)CCC)c2C1 ZINC001128264205 1373243329 /nfs/dbraw/zinc/24/33/29/1373243329.db2.gz KQRNFZQDQVEQKQ-QGZVFWFLSA-N 1 2 346.519 3.498 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)C3CC(C)C3)c2C1 ZINC001128301487 1373249222 /nfs/dbraw/zinc/24/92/22/1373249222.db2.gz SMQCXYHHUOVSOY-UHFFFAOYSA-N 1 2 346.519 3.331 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)C3CC(C)C3)c2C1 ZINC001128301487 1373249224 /nfs/dbraw/zinc/24/92/24/1373249224.db2.gz SMQCXYHHUOVSOY-UHFFFAOYSA-N 1 2 346.519 3.331 20 30 EGEDLO C=C(C)CCC(=O)NCc1cnn2c1C[N@H+](CC/C=C/CC)CC2 ZINC001128371665 1373258714 /nfs/dbraw/zinc/25/87/14/1373258714.db2.gz ASQSFSSJWVWNHQ-AATRIKPKSA-N 1 2 330.476 3.028 20 30 EGEDLO C=C(C)CCC(=O)NCc1cnn2c1C[N@@H+](CC/C=C/CC)CC2 ZINC001128371665 1373258716 /nfs/dbraw/zinc/25/87/16/1373258716.db2.gz ASQSFSSJWVWNHQ-AATRIKPKSA-N 1 2 330.476 3.028 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C(CCC)CCC)c2C1 ZINC001128463591 1373272640 /nfs/dbraw/zinc/27/26/40/1373272640.db2.gz MQAHEYFPRVZXRE-UHFFFAOYSA-N 1 2 332.492 3.107 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C(CCC)CCC)c2C1 ZINC001128463591 1373272644 /nfs/dbraw/zinc/27/26/44/1373272644.db2.gz MQAHEYFPRVZXRE-UHFFFAOYSA-N 1 2 332.492 3.107 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCc1cnn2c1C[N@H+](CCCCCC)CC2 ZINC001128481085 1373275148 /nfs/dbraw/zinc/27/51/48/1373275148.db2.gz JWLHRYVZJUSUJL-FQEVSTJZSA-N 1 2 346.519 3.498 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCc1cnn2c1C[N@@H+](CCCCCC)CC2 ZINC001128481085 1373275152 /nfs/dbraw/zinc/27/51/52/1373275152.db2.gz JWLHRYVZJUSUJL-FQEVSTJZSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H](C)C(C)C)c2C1 ZINC001128513109 1373280768 /nfs/dbraw/zinc/28/07/68/1373280768.db2.gz VGSKMEAHXGDXBX-KRWDZBQOSA-N 1 2 346.519 3.353 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@@H](C)C(C)C)c2C1 ZINC001128513109 1373280770 /nfs/dbraw/zinc/28/07/70/1373280770.db2.gz VGSKMEAHXGDXBX-KRWDZBQOSA-N 1 2 346.519 3.353 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H](CCC)CC(C)C)c2C1 ZINC001128598706 1373296593 /nfs/dbraw/zinc/29/65/93/1373296593.db2.gz IHBZJLZDRFICLV-KRWDZBQOSA-N 1 2 346.519 3.353 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H](CCC)CC(C)C)c2C1 ZINC001128598706 1373296597 /nfs/dbraw/zinc/29/65/97/1373296597.db2.gz IHBZJLZDRFICLV-KRWDZBQOSA-N 1 2 346.519 3.353 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C[C@@H]3CCCC[C@H]3C)c2C1 ZINC001128612835 1373297782 /nfs/dbraw/zinc/29/77/82/1373297782.db2.gz VIEPRSJODZFXEC-SJORKVTESA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C[C@@H]3CCCC[C@H]3C)c2C1 ZINC001128612835 1373297784 /nfs/dbraw/zinc/29/77/84/1373297784.db2.gz VIEPRSJODZFXEC-SJORKVTESA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCCCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001218566841 1373633797 /nfs/dbraw/zinc/63/37/97/1373633797.db2.gz WUNSECYWPINTBU-ZWKOTPCHSA-N 1 2 348.874 3.108 20 30 EGEDLO C=CCCCC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001218566841 1373633803 /nfs/dbraw/zinc/63/38/03/1373633803.db2.gz WUNSECYWPINTBU-ZWKOTPCHSA-N 1 2 348.874 3.108 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)CC(C)=C(C)C)C[C@@H](C)O2 ZINC001131673252 1373755787 /nfs/dbraw/zinc/75/57/87/1373755787.db2.gz ITMYHBNIKVVGKI-AEFFLSMTSA-N 1 2 340.895 3.177 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CC(C)=C(C)C)C[C@@H](C)O2 ZINC001131673252 1373755794 /nfs/dbraw/zinc/75/57/94/1373755794.db2.gz ITMYHBNIKVVGKI-AEFFLSMTSA-N 1 2 340.895 3.177 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CCCCCC)C[C@@H](C)O2 ZINC001131696871 1373768786 /nfs/dbraw/zinc/76/87/86/1373768786.db2.gz CBQRZRVEJREKHF-SJLPKXTDSA-N 1 2 342.911 3.401 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCCCCC)C[C@@H](C)O2 ZINC001131696871 1373768791 /nfs/dbraw/zinc/76/87/91/1373768791.db2.gz CBQRZRVEJREKHF-SJLPKXTDSA-N 1 2 342.911 3.401 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)CC(C)(C)C)CC[C@@H]1C ZINC001131817750 1373821223 /nfs/dbraw/zinc/82/12/23/1373821223.db2.gz QPRYIZQXNADGAW-QWHCGFSZSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)CC(C)(C)C)CC[C@@H]1C ZINC001131817750 1373821235 /nfs/dbraw/zinc/82/12/35/1373821235.db2.gz QPRYIZQXNADGAW-QWHCGFSZSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)CCC2CC2)CC[C@H]1C ZINC001131921338 1375046646 /nfs/dbraw/zinc/04/66/46/1375046646.db2.gz ALRWMKGCDLEAPV-OCCSQVGLSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)CCC2CC2)CC[C@H]1C ZINC001131921338 1375046650 /nfs/dbraw/zinc/04/66/50/1375046650.db2.gz ALRWMKGCDLEAPV-OCCSQVGLSA-N 1 2 329.282 3.054 20 30 EGEDLO CC(=O)c1ccc(O)cc1O[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001225617892 1375132556 /nfs/dbraw/zinc/13/25/56/1375132556.db2.gz ALQCEHVRQTYJPU-GOSISDBHSA-N 1 2 336.391 3.120 20 30 EGEDLO CC(=O)c1ccc(O)cc1O[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001225617892 1375132558 /nfs/dbraw/zinc/13/25/58/1375132558.db2.gz ALQCEHVRQTYJPU-GOSISDBHSA-N 1 2 336.391 3.120 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC2(C(F)(F)F)CC2)CC[C@@H]1C ZINC001132094760 1375143060 /nfs/dbraw/zinc/14/30/60/1375143060.db2.gz PEUWKQAPDIQZQT-NWDGAFQWSA-N 1 2 338.801 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2(COC)CCCCC2)CC[C@H]1C ZINC001132101757 1375148439 /nfs/dbraw/zinc/14/84/39/1375148439.db2.gz ODOICLMJAXBJPU-HZPDHXFCSA-N 1 2 342.911 3.305 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2(COC)CCCCC2)CC[C@H]1C ZINC001132101757 1375148444 /nfs/dbraw/zinc/14/84/44/1375148444.db2.gz ODOICLMJAXBJPU-HZPDHXFCSA-N 1 2 342.911 3.305 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001132218063 1375216432 /nfs/dbraw/zinc/21/64/32/1375216432.db2.gz LURABIBGOXJFTR-UKRRQHHQSA-N 1 2 335.879 3.416 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001132218063 1375216434 /nfs/dbraw/zinc/21/64/34/1375216434.db2.gz LURABIBGOXJFTR-UKRRQHHQSA-N 1 2 335.879 3.416 20 30 EGEDLO Cc1cc(C)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c(Br)c1 ZINC001226293337 1375234415 /nfs/dbraw/zinc/23/44/15/1375234415.db2.gz VHXYTWSMNQLHCQ-UCHAVSLVSA-N 1 2 338.245 3.057 20 30 EGEDLO Cc1cc(C)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c(Br)c1 ZINC001226293337 1375234421 /nfs/dbraw/zinc/23/44/21/1375234421.db2.gz VHXYTWSMNQLHCQ-UCHAVSLVSA-N 1 2 338.245 3.057 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2nocc2C)C1 ZINC001132242134 1375238616 /nfs/dbraw/zinc/23/86/16/1375238616.db2.gz ZZKUXNJDWXRWBM-SJORKVTESA-N 1 2 331.460 3.036 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2nocc2C)C1 ZINC001132242134 1375238621 /nfs/dbraw/zinc/23/86/21/1375238621.db2.gz ZZKUXNJDWXRWBM-SJORKVTESA-N 1 2 331.460 3.036 20 30 EGEDLO Cc1c[nH]c(CCNC(=O)c2ccc(-c3ccc(C#N)c(F)c3)cc2)[nH+]1 ZINC001188710610 1388365398 /nfs/dbraw/zinc/36/53/98/1388365398.db2.gz TWMFOCCJYNRQTD-UHFFFAOYSA-N 1 2 348.381 3.368 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc3n(n2)CCCC3)C1 ZINC001132255657 1375249180 /nfs/dbraw/zinc/24/91/80/1375249180.db2.gz CTUZZCJHQZVCGI-IAGOWNOFSA-N 1 2 344.503 3.045 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc3n(n2)CCCC3)C1 ZINC001132255657 1375249185 /nfs/dbraw/zinc/24/91/85/1375249185.db2.gz CTUZZCJHQZVCGI-IAGOWNOFSA-N 1 2 344.503 3.045 20 30 EGEDLO C=CCCC(=O)NC1CC[NH+](Cc2ccn(C(CC)CC)n2)CC1 ZINC001226527494 1375275961 /nfs/dbraw/zinc/27/59/61/1375275961.db2.gz KONMQCDTJJEBEL-UHFFFAOYSA-N 1 2 332.492 3.291 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2nc(C)oc2C)C1 ZINC001132332467 1375311868 /nfs/dbraw/zinc/31/18/68/1375311868.db2.gz UTBUIOOTXNTKSX-BBRMVZONSA-N 1 2 333.476 3.363 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2nc(C)oc2C)C1 ZINC001132332467 1375311875 /nfs/dbraw/zinc/31/18/75/1375311875.db2.gz UTBUIOOTXNTKSX-BBRMVZONSA-N 1 2 333.476 3.363 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCc2cccnc2)CC[C@@H]1C ZINC001132384698 1375343577 /nfs/dbraw/zinc/34/35/77/1375343577.db2.gz QXGTXMVCWLVXKT-RDJZCZTQSA-N 1 2 335.879 3.126 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCc2cccnc2)CC[C@@H]1C ZINC001132384698 1375343578 /nfs/dbraw/zinc/34/35/78/1375343578.db2.gz QXGTXMVCWLVXKT-RDJZCZTQSA-N 1 2 335.879 3.126 20 30 EGEDLO CC[C@@H](C)CC(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001227068383 1375383842 /nfs/dbraw/zinc/38/38/42/1375383842.db2.gz BDHBJNXOIICVCR-CQSZACIVSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2(CCOC)CCCC2)CC[C@@H]1C ZINC001132525764 1375441309 /nfs/dbraw/zinc/44/13/09/1375441309.db2.gz VLPSAYDYZSDNRA-JKSUJKDBSA-N 1 2 342.911 3.305 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2(CCOC)CCCC2)CC[C@@H]1C ZINC001132525764 1375441313 /nfs/dbraw/zinc/44/13/13/1375441313.db2.gz VLPSAYDYZSDNRA-JKSUJKDBSA-N 1 2 342.911 3.305 20 30 EGEDLO C=C(C)CCC(=O)NC1CC[NH+](Cc2cc(C(C)(C)C)on2)CC1 ZINC001227588113 1375448150 /nfs/dbraw/zinc/44/81/50/1375448150.db2.gz GCYZZHUAMJYZLZ-UHFFFAOYSA-N 1 2 333.476 3.409 20 30 EGEDLO CCOC(=O)[C@H](C#C[Si](C)(C)C)Oc1ccc2[nH]c(C)[nH+]c2c1 ZINC001228330065 1375549770 /nfs/dbraw/zinc/54/97/70/1375549770.db2.gz SYXREPYWTYZPOX-INIZCTEOSA-N 1 2 330.460 3.063 20 30 EGEDLO C=CC(C)(C)C(=O)NC1CC[NH+]([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC001228631454 1375621788 /nfs/dbraw/zinc/62/17/88/1375621788.db2.gz MCDSKENQCYFDHY-ZDUSSCGKSA-N 1 2 334.464 3.047 20 30 EGEDLO C=CC(C)(C)C(=O)NC1CC[NH+]([C@@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC001228631249 1375622689 /nfs/dbraw/zinc/62/26/89/1375622689.db2.gz ITPQUHIKNVTNRV-ZDUSSCGKSA-N 1 2 348.491 3.221 20 30 EGEDLO C=CCCC1(C(=O)NC2CC[NH+]([C@H](C)c3nnc(C)s3)CC2)CC1 ZINC001229036853 1375748236 /nfs/dbraw/zinc/74/82/36/1375748236.db2.gz ANVWOTBBFFYDAK-CYBMUJFWSA-N 1 2 348.516 3.235 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001188886689 1388401267 /nfs/dbraw/zinc/40/12/67/1388401267.db2.gz XJMHCRIFYQHRDM-HYVNUMGLSA-N 1 2 343.471 3.187 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001188886689 1388401268 /nfs/dbraw/zinc/40/12/68/1388401268.db2.gz XJMHCRIFYQHRDM-HYVNUMGLSA-N 1 2 343.471 3.187 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3coc(C4CC4)n3)C[C@H]21 ZINC001188897916 1388403721 /nfs/dbraw/zinc/40/37/21/1388403721.db2.gz ZSPQNJOTOWBRDB-QILLFSRXSA-N 1 2 343.471 3.187 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](Cc3coc(C4CC4)n3)C[C@H]21 ZINC001188897916 1388403725 /nfs/dbraw/zinc/40/37/25/1388403725.db2.gz ZSPQNJOTOWBRDB-QILLFSRXSA-N 1 2 343.471 3.187 20 30 EGEDLO CO[C@H](C)CCOc1nc(C)c(-c2ccc3[nH+]ccn3c2)cc1C#N ZINC001229768108 1375889871 /nfs/dbraw/zinc/88/98/71/1375889871.db2.gz JLWSLQSVGKIEKI-CYBMUJFWSA-N 1 2 336.395 3.380 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H](C)CC(C)C)CC1 ZINC001229769369 1375890099 /nfs/dbraw/zinc/89/00/99/1375890099.db2.gz JDILBRXVZGWBBJ-LBPRGKRZSA-N 1 2 331.298 3.158 20 30 EGEDLO C=CCCC1(C(=O)NCC[NH2+][C@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC001133373617 1375954011 /nfs/dbraw/zinc/95/40/11/1375954011.db2.gz DTGWGHJIHQMYGJ-CQSZACIVSA-N 1 2 333.476 3.485 20 30 EGEDLO C=C(Cl)C[N@@H+](CCCNC(=O)[C@H](C)C1CC1)Cc1cccnc1 ZINC001230722241 1376132823 /nfs/dbraw/zinc/13/28/23/1376132823.db2.gz FZXXKFYMVKQSSP-OAHLLOKOSA-N 1 2 335.879 3.189 20 30 EGEDLO C=C(Cl)C[N@H+](CCCNC(=O)[C@H](C)C1CC1)Cc1cccnc1 ZINC001230722241 1376132828 /nfs/dbraw/zinc/13/28/28/1376132828.db2.gz FZXXKFYMVKQSSP-OAHLLOKOSA-N 1 2 335.879 3.189 20 30 EGEDLO C/C(=C/C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F)C1CC1 ZINC001230947913 1376186549 /nfs/dbraw/zinc/18/65/49/1376186549.db2.gz ILRDBVWKYWWKMP-WAFIBAPDSA-N 1 2 341.430 3.086 20 30 EGEDLO C/C(=C/C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1F)C1CC1 ZINC001230947913 1376186554 /nfs/dbraw/zinc/18/65/54/1376186554.db2.gz ILRDBVWKYWWKMP-WAFIBAPDSA-N 1 2 341.430 3.086 20 30 EGEDLO CCC[C@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001231311295 1376225305 /nfs/dbraw/zinc/22/53/05/1376225305.db2.gz IBNOBASQQKXECJ-YOEHRIQHSA-N 1 2 331.435 3.166 20 30 EGEDLO CCC[C@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001231311295 1376225309 /nfs/dbraw/zinc/22/53/09/1376225309.db2.gz IBNOBASQQKXECJ-YOEHRIQHSA-N 1 2 331.435 3.166 20 30 EGEDLO CCC[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001231311288 1376225456 /nfs/dbraw/zinc/22/54/56/1376225456.db2.gz IBNOBASQQKXECJ-PBHICJAKSA-N 1 2 331.435 3.166 20 30 EGEDLO CCC[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001231311288 1376225474 /nfs/dbraw/zinc/22/54/74/1376225474.db2.gz IBNOBASQQKXECJ-PBHICJAKSA-N 1 2 331.435 3.166 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(F)cc1OC)CCO2 ZINC001231602158 1376277876 /nfs/dbraw/zinc/27/78/76/1376277876.db2.gz NVRNPNUKHGEMLD-FXAWDEMLSA-N 1 2 349.446 3.408 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccc(F)cc1OC)CCO2 ZINC001231602158 1376277886 /nfs/dbraw/zinc/27/78/86/1376277886.db2.gz NVRNPNUKHGEMLD-FXAWDEMLSA-N 1 2 349.446 3.408 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)cc1Cl ZINC001232119421 1376403627 /nfs/dbraw/zinc/40/36/27/1376403627.db2.gz YCNHWSHEPFOLST-MRXNPFEDSA-N 1 2 331.847 3.092 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)cc1Cl ZINC001232119421 1376403628 /nfs/dbraw/zinc/40/36/28/1376403628.db2.gz YCNHWSHEPFOLST-MRXNPFEDSA-N 1 2 331.847 3.092 20 30 EGEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1c(Cl)ccnc1F)CC2 ZINC001232612027 1376488997 /nfs/dbraw/zinc/48/89/97/1376488997.db2.gz CMZOLCNVHUGFME-UHFFFAOYSA-N 1 2 337.826 3.017 20 30 EGEDLO C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232680658 1376501317 /nfs/dbraw/zinc/50/13/17/1376501317.db2.gz GALBUTXDRJIJKR-HNNXBMFYSA-N 1 2 339.414 3.282 20 30 EGEDLO CC(C)(C)OC(=O)N1CC([N@H+](Cc2ccc(C#N)s2)C2CC2)C1 ZINC001232847056 1376523681 /nfs/dbraw/zinc/52/36/81/1376523681.db2.gz RPOULWRRBCFXAD-UHFFFAOYSA-N 1 2 333.457 3.203 20 30 EGEDLO CC(C)(C)OC(=O)N1CC([N@@H+](Cc2ccc(C#N)s2)C2CC2)C1 ZINC001232847056 1376523686 /nfs/dbraw/zinc/52/36/86/1376523686.db2.gz RPOULWRRBCFXAD-UHFFFAOYSA-N 1 2 333.457 3.203 20 30 EGEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cccc(C#N)n1 ZINC001232926609 1376539487 /nfs/dbraw/zinc/53/94/87/1376539487.db2.gz VUYVCQSVOOOLGZ-WBAXXEDZSA-N 1 2 341.455 3.428 20 30 EGEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cccc(C#N)n1 ZINC001232926609 1376539494 /nfs/dbraw/zinc/53/94/94/1376539494.db2.gz VUYVCQSVOOOLGZ-WBAXXEDZSA-N 1 2 341.455 3.428 20 30 EGEDLO CN(C)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)c(F)c1C#N ZINC001233095924 1376569573 /nfs/dbraw/zinc/56/95/73/1376569573.db2.gz CJZHFVUDYRTLLC-UHFFFAOYSA-N 1 2 338.430 3.086 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)c1ccc(F)c(F)c1 ZINC001233916235 1376736977 /nfs/dbraw/zinc/73/69/77/1376736977.db2.gz VEQTWSCEGPGWKR-HOCLYGCPSA-N 1 2 334.410 3.362 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)c1ccc(F)c(F)c1 ZINC001233916235 1376736987 /nfs/dbraw/zinc/73/69/87/1376736987.db2.gz VEQTWSCEGPGWKR-HOCLYGCPSA-N 1 2 334.410 3.362 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H]1CCc2c1cc(F)cc2F ZINC001233965673 1376745884 /nfs/dbraw/zinc/74/58/84/1376745884.db2.gz CXSGHZNXLWVWJL-HNAYVOBHSA-N 1 2 346.421 3.288 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H]1CCc2c1cc(F)cc2F ZINC001233965673 1376745892 /nfs/dbraw/zinc/74/58/92/1376745892.db2.gz CXSGHZNXLWVWJL-HNAYVOBHSA-N 1 2 346.421 3.288 20 30 EGEDLO CC/C(C)=C/C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001234130566 1376773440 /nfs/dbraw/zinc/77/34/40/1376773440.db2.gz NHNWSDSVQZGKNQ-JRJUITNWSA-N 1 2 328.431 3.066 20 30 EGEDLO CC/C(C)=C/C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001234130566 1376773443 /nfs/dbraw/zinc/77/34/43/1376773443.db2.gz NHNWSDSVQZGKNQ-JRJUITNWSA-N 1 2 328.431 3.066 20 30 EGEDLO CC(C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F)=C1CCC1 ZINC001234151305 1376778802 /nfs/dbraw/zinc/77/88/02/1376778802.db2.gz NNEJOOJCRYHCNY-SFHVURJKSA-N 1 2 341.430 3.230 20 30 EGEDLO CC(C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1F)=C1CCC1 ZINC001234151305 1376778808 /nfs/dbraw/zinc/77/88/08/1376778808.db2.gz NNEJOOJCRYHCNY-SFHVURJKSA-N 1 2 341.430 3.230 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)cc3Cl)C[C@@H]21 ZINC001238084293 1376994113 /nfs/dbraw/zinc/99/41/13/1376994113.db2.gz GAIBQMIOTQFVDI-ZBFHGGJFSA-N 1 2 347.846 3.263 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(C#N)cc3Cl)C[C@@H]21 ZINC001238084293 1376994118 /nfs/dbraw/zinc/99/41/18/1376994118.db2.gz GAIBQMIOTQFVDI-ZBFHGGJFSA-N 1 2 347.846 3.263 20 30 EGEDLO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1=S ZINC001261656065 1377125397 /nfs/dbraw/zinc/12/53/97/1377125397.db2.gz OERSZRWBTYOHLT-HOTGVXAUSA-N 1 2 336.505 3.147 20 30 EGEDLO C=CCn1c(C)nn(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1=S ZINC001261656065 1377125401 /nfs/dbraw/zinc/12/54/01/1377125401.db2.gz OERSZRWBTYOHLT-HOTGVXAUSA-N 1 2 336.505 3.147 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCc2ccc(Cl)cc2)C1 ZINC001266332841 1377278432 /nfs/dbraw/zinc/27/84/32/1377278432.db2.gz BCWMVBPOXAGGEL-OAHLLOKOSA-N 1 2 327.255 3.216 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCc2ccc(Cl)cc2)C1 ZINC001266332841 1377278434 /nfs/dbraw/zinc/27/84/34/1377278434.db2.gz BCWMVBPOXAGGEL-OAHLLOKOSA-N 1 2 327.255 3.216 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(F)c(F)c3)CC2)cc1F ZINC001139525757 1377896912 /nfs/dbraw/zinc/89/69/12/1377896912.db2.gz MEUIMTAXDQDQDK-UHFFFAOYSA-N 1 2 331.341 3.298 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@@H]21 ZINC001139646463 1377925201 /nfs/dbraw/zinc/92/52/01/1377925201.db2.gz UHJBTYQAHPPKPV-YOEHRIQHSA-N 1 2 345.418 3.139 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@@H]21 ZINC001139646463 1377925203 /nfs/dbraw/zinc/92/52/03/1377925203.db2.gz UHJBTYQAHPPKPV-YOEHRIQHSA-N 1 2 345.418 3.139 20 30 EGEDLO CCOCc1noc2c1C[N@H+](Cc1c[nH]c3c1cccc3C#N)CC2 ZINC001139702636 1377937301 /nfs/dbraw/zinc/93/73/01/1377937301.db2.gz CUNWUCIXNNDFMD-UHFFFAOYSA-N 1 2 336.395 3.122 20 30 EGEDLO CCOCc1noc2c1C[N@@H+](Cc1c[nH]c3c1cccc3C#N)CC2 ZINC001139702636 1377937305 /nfs/dbraw/zinc/93/73/05/1377937305.db2.gz CUNWUCIXNNDFMD-UHFFFAOYSA-N 1 2 336.395 3.122 20 30 EGEDLO N#Cc1cccc2c(C[N@@H+]3CCO[C@@H](COc4ccccc4)C3)c[nH]c21 ZINC001139706517 1377938239 /nfs/dbraw/zinc/93/82/39/1377938239.db2.gz XIBKOBJKZBCHJM-LJQANCHMSA-N 1 2 347.418 3.319 20 30 EGEDLO N#Cc1cccc2c(C[N@H+]3CCO[C@@H](COc4ccccc4)C3)c[nH]c21 ZINC001139706517 1377938240 /nfs/dbraw/zinc/93/82/40/1377938240.db2.gz XIBKOBJKZBCHJM-LJQANCHMSA-N 1 2 347.418 3.319 20 30 EGEDLO CCOC[C@@H]1C[N@H+](Cc2ccc(C)c(C#N)c2)Cc2c1cnn2CC ZINC001139725018 1377941993 /nfs/dbraw/zinc/94/19/93/1377941993.db2.gz ZGTZOKOATBYATE-SFHVURJKSA-N 1 2 338.455 3.219 20 30 EGEDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C)c(C#N)c2)Cc2c1cnn2CC ZINC001139725018 1377941994 /nfs/dbraw/zinc/94/19/94/1377941994.db2.gz ZGTZOKOATBYATE-SFHVURJKSA-N 1 2 338.455 3.219 20 30 EGEDLO CCOc1ccccc1N1CC[NH+](Cc2cc(F)cc(C#N)c2)CC1 ZINC001139873277 1377969012 /nfs/dbraw/zinc/96/90/12/1377969012.db2.gz ICKPOKQMKSHXPM-UHFFFAOYSA-N 1 2 339.414 3.418 20 30 EGEDLO COc1cc(Br)c(C[N@H+]2CCC[C@H](C#N)CC2)cc1O ZINC001140123010 1378012965 /nfs/dbraw/zinc/01/29/65/1378012965.db2.gz IARIUYXCLUAAFW-NSHDSACASA-N 1 2 339.233 3.289 20 30 EGEDLO COc1cc(Br)c(C[N@@H+]2CCC[C@H](C#N)CC2)cc1O ZINC001140123010 1378012963 /nfs/dbraw/zinc/01/29/63/1378012963.db2.gz IARIUYXCLUAAFW-NSHDSACASA-N 1 2 339.233 3.289 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccc(O)cc1F)CCO2 ZINC001140127558 1378013434 /nfs/dbraw/zinc/01/34/34/1378013434.db2.gz ZAWZKFNUZIFDKH-VQIMIIECSA-N 1 2 335.419 3.105 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1ccc(O)cc1F)CCO2 ZINC001140127558 1378013436 /nfs/dbraw/zinc/01/34/36/1378013436.db2.gz ZAWZKFNUZIFDKH-VQIMIIECSA-N 1 2 335.419 3.105 20 30 EGEDLO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(C#N)nc1 ZINC001140546670 1378082706 /nfs/dbraw/zinc/08/27/06/1378082706.db2.gz PRQJBEXRVMSJLI-QGZVFWFLSA-N 1 2 344.459 3.175 20 30 EGEDLO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(C#N)nc1 ZINC001140546670 1378082709 /nfs/dbraw/zinc/08/27/09/1378082709.db2.gz PRQJBEXRVMSJLI-QGZVFWFLSA-N 1 2 344.459 3.175 20 30 EGEDLO N#Cc1c(N)sc(C[N@@H+]2CCOC3(CCCCC3)C2)c1Cl ZINC001141112663 1378242499 /nfs/dbraw/zinc/24/24/99/1378242499.db2.gz IOQPAQOYOIMVJN-UHFFFAOYSA-N 1 2 325.865 3.390 20 30 EGEDLO N#Cc1c(N)sc(C[N@H+]2CCOC3(CCCCC3)C2)c1Cl ZINC001141112663 1378242502 /nfs/dbraw/zinc/24/25/02/1378242502.db2.gz IOQPAQOYOIMVJN-UHFFFAOYSA-N 1 2 325.865 3.390 20 30 EGEDLO Cc1cccnc1O[C@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC001141167701 1378257445 /nfs/dbraw/zinc/25/74/45/1378257445.db2.gz VQGLDRMWAGFAAR-SFHVURJKSA-N 1 2 325.387 3.444 20 30 EGEDLO Cc1cccnc1O[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC001141167701 1378257449 /nfs/dbraw/zinc/25/74/49/1378257449.db2.gz VQGLDRMWAGFAAR-SFHVURJKSA-N 1 2 325.387 3.444 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CCc2cc(F)ccc2F)C1 ZINC001282739520 1378590526 /nfs/dbraw/zinc/59/05/26/1378590526.db2.gz LKXABEPCLORQQJ-LBPRGKRZSA-N 1 2 342.817 3.086 20 30 EGEDLO CC(C)CC(=O)NC1CC[NH+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143726329 1378639308 /nfs/dbraw/zinc/63/93/08/1378639308.db2.gz MOPAKOKXGGVVEF-UHFFFAOYSA-N 1 2 333.863 3.338 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)C[C@H](C)CCC)C2)C1 ZINC001147166245 1378981557 /nfs/dbraw/zinc/98/15/57/1378981557.db2.gz TYQQZUMOJOHHER-CYBMUJFWSA-N 1 2 343.309 3.256 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)C[C@H](C)CCC)C2)C1 ZINC001147166245 1378981558 /nfs/dbraw/zinc/98/15/58/1378981558.db2.gz TYQQZUMOJOHHER-CYBMUJFWSA-N 1 2 343.309 3.256 20 30 EGEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001147639924 1379054403 /nfs/dbraw/zinc/05/44/03/1379054403.db2.gz HPWFZQIPFMUYOC-UHFFFAOYSA-N 1 2 341.430 3.088 20 30 EGEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001147639924 1379054406 /nfs/dbraw/zinc/05/44/06/1379054406.db2.gz HPWFZQIPFMUYOC-UHFFFAOYSA-N 1 2 341.430 3.088 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1csc(CC)n1)C2 ZINC001148096225 1379118204 /nfs/dbraw/zinc/11/82/04/1379118204.db2.gz YCEQIYFVMPDVFS-GJZGRUSLSA-N 1 2 347.528 3.198 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1csc(CC)n1)C2 ZINC001148096225 1379118207 /nfs/dbraw/zinc/11/82/07/1379118207.db2.gz YCEQIYFVMPDVFS-GJZGRUSLSA-N 1 2 347.528 3.198 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C\Cl)C2 ZINC001148146765 1379124541 /nfs/dbraw/zinc/12/45/41/1379124541.db2.gz ITBPMKYNHKUZQI-PFLCFFIHSA-N 1 2 331.287 3.442 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](C/C(Cl)=C\Cl)C2 ZINC001148146765 1379124542 /nfs/dbraw/zinc/12/45/42/1379124542.db2.gz ITBPMKYNHKUZQI-PFLCFFIHSA-N 1 2 331.287 3.442 20 30 EGEDLO CCCCCCCCC(=O)NCC[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001148728038 1379255205 /nfs/dbraw/zinc/25/52/05/1379255205.db2.gz SLKXOBNQDSRMEU-UHFFFAOYSA-N 1 2 338.496 3.324 20 30 EGEDLO C=CCC1(C(=O)N2CC3(C2)CC[N@@H+](Cc2cc(C)on2)C3)CCCC1 ZINC001148933667 1379299643 /nfs/dbraw/zinc/29/96/43/1379299643.db2.gz BQEXORJQJOYDLT-UHFFFAOYSA-N 1 2 343.471 3.154 20 30 EGEDLO C=CCC1(C(=O)N2CC3(C2)CC[N@H+](Cc2cc(C)on2)C3)CCCC1 ZINC001148933667 1379299648 /nfs/dbraw/zinc/29/96/48/1379299648.db2.gz BQEXORJQJOYDLT-UHFFFAOYSA-N 1 2 343.471 3.154 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCCC2CCOCC2)[C@H]1C ZINC001284129542 1379507769 /nfs/dbraw/zinc/50/77/69/1379507769.db2.gz RQOWWHUUOCEPFE-NVXWUHKLSA-N 1 2 342.911 3.305 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCCC2CCOCC2)[C@H]1C ZINC001284129542 1379507773 /nfs/dbraw/zinc/50/77/73/1379507773.db2.gz RQOWWHUUOCEPFE-NVXWUHKLSA-N 1 2 342.911 3.305 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C[C@H](C)C(C)(C)C)C1 ZINC001150640237 1379585757 /nfs/dbraw/zinc/58/57/57/1379585757.db2.gz NGVZTNOASPZSET-ZFWWWQNUSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C[C@H](C)C(C)(C)C)C1 ZINC001150640237 1379585758 /nfs/dbraw/zinc/58/57/58/1379585758.db2.gz NGVZTNOASPZSET-ZFWWWQNUSA-N 1 2 330.900 3.018 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1ccsc1 ZINC001151784460 1379780032 /nfs/dbraw/zinc/78/00/32/1379780032.db2.gz SRVMUPPIWSQICX-CYBMUJFWSA-N 1 2 345.443 3.399 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1ccsc1 ZINC001151784460 1379780036 /nfs/dbraw/zinc/78/00/36/1379780036.db2.gz SRVMUPPIWSQICX-CYBMUJFWSA-N 1 2 345.443 3.399 20 30 EGEDLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC(C#Cc2ccccc2)CC1 ZINC001151972376 1379828101 /nfs/dbraw/zinc/82/81/01/1379828101.db2.gz WFTYUXPUAPWGFL-UHFFFAOYSA-N 1 2 329.403 3.467 20 30 EGEDLO C=CCC1(C(=O)NCC[NH2+]Cc2nc(C3CCC3)no2)CCCCC1 ZINC001151997763 1379835109 /nfs/dbraw/zinc/83/51/09/1379835109.db2.gz KJNLMMCETSCLBB-UHFFFAOYSA-N 1 2 346.475 3.070 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153281214 1380047949 /nfs/dbraw/zinc/04/79/49/1380047949.db2.gz HIYNYRKMCSMMNH-OAHLLOKOSA-N 1 2 343.446 3.073 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153281214 1380047954 /nfs/dbraw/zinc/04/79/54/1380047954.db2.gz HIYNYRKMCSMMNH-OAHLLOKOSA-N 1 2 343.446 3.073 20 30 EGEDLO CC[N@H+](Cc1csc(C(C)(C)C)n1)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153281396 1380048326 /nfs/dbraw/zinc/04/83/26/1380048326.db2.gz NNGJVYNQVJXGEM-CQSZACIVSA-N 1 2 347.528 3.181 20 30 EGEDLO CC[N@@H+](Cc1csc(C(C)(C)C)n1)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153281396 1380048334 /nfs/dbraw/zinc/04/83/34/1380048334.db2.gz NNGJVYNQVJXGEM-CQSZACIVSA-N 1 2 347.528 3.181 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2ncoc2C(C)C)CCC1 ZINC001153776950 1380127579 /nfs/dbraw/zinc/12/75/79/1380127579.db2.gz VCPOEWMJAWWLFX-MRXNPFEDSA-N 1 2 345.487 3.318 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2ncoc2C(C)C)CCC1 ZINC001153776950 1380127581 /nfs/dbraw/zinc/12/75/81/1380127581.db2.gz VCPOEWMJAWWLFX-MRXNPFEDSA-N 1 2 345.487 3.318 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C1(F)CCCC1 ZINC001154099100 1380207225 /nfs/dbraw/zinc/20/72/25/1380207225.db2.gz ARVPHBQXQZDHHN-CQSZACIVSA-N 1 2 349.425 3.306 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C1(F)CCCC1 ZINC001154099100 1380207229 /nfs/dbraw/zinc/20/72/29/1380207229.db2.gz ARVPHBQXQZDHHN-CQSZACIVSA-N 1 2 349.425 3.306 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(CC)o1 ZINC001154605313 1380315399 /nfs/dbraw/zinc/31/53/99/1380315399.db2.gz DMOLBPCNIZNEGY-MRXNPFEDSA-N 1 2 333.476 3.147 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(CC)o1 ZINC001154605313 1380315400 /nfs/dbraw/zinc/31/54/00/1380315400.db2.gz DMOLBPCNIZNEGY-MRXNPFEDSA-N 1 2 333.476 3.147 20 30 EGEDLO C=CCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1nc2c(o1)CCCC2 ZINC001154928330 1380377991 /nfs/dbraw/zinc/37/79/91/1380377991.db2.gz YBBSREMYBGPLET-OAHLLOKOSA-N 1 2 333.476 3.236 20 30 EGEDLO C=CCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc2c(o1)CCCC2 ZINC001154928330 1380377993 /nfs/dbraw/zinc/37/79/93/1380377993.db2.gz YBBSREMYBGPLET-OAHLLOKOSA-N 1 2 333.476 3.236 20 30 EGEDLO C=CCCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2nc(C)c(C)o2)CC1 ZINC001155036698 1380395947 /nfs/dbraw/zinc/39/59/47/1380395947.db2.gz DQINGXKWJWWDJK-CQSZACIVSA-N 1 2 333.476 3.364 20 30 EGEDLO C=CCCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2nc(C)c(C)o2)CC1 ZINC001155036698 1380395949 /nfs/dbraw/zinc/39/59/49/1380395949.db2.gz DQINGXKWJWWDJK-CQSZACIVSA-N 1 2 333.476 3.364 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)C1CCCC1 ZINC001157416076 1380875880 /nfs/dbraw/zinc/87/58/80/1380875880.db2.gz BWIBYOXYHZYJHM-OAHLLOKOSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CCCC1 ZINC001157416076 1380875885 /nfs/dbraw/zinc/87/58/85/1380875885.db2.gz BWIBYOXYHZYJHM-OAHLLOKOSA-N 1 2 343.309 3.398 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncccn1 ZINC001157993877 1381095077 /nfs/dbraw/zinc/09/50/77/1381095077.db2.gz CLNLSFCQGVRVOP-GOSISDBHSA-N 1 2 342.487 3.058 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncccn1 ZINC001157993877 1381095080 /nfs/dbraw/zinc/09/50/80/1381095080.db2.gz CLNLSFCQGVRVOP-GOSISDBHSA-N 1 2 342.487 3.058 20 30 EGEDLO CC#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nc(C)c(C)o1 ZINC001158350468 1381212789 /nfs/dbraw/zinc/21/27/89/1381212789.db2.gz RPDWPPHIDMZOOU-GOSISDBHSA-N 1 2 345.487 3.298 20 30 EGEDLO CC#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nc(C)c(C)o1 ZINC001158350468 1381212792 /nfs/dbraw/zinc/21/27/92/1381212792.db2.gz RPDWPPHIDMZOOU-GOSISDBHSA-N 1 2 345.487 3.298 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nccc(C)n1 ZINC001158370312 1381221017 /nfs/dbraw/zinc/22/10/17/1381221017.db2.gz UMKYAGUXDWIWMY-ZWKOTPCHSA-N 1 2 344.503 3.200 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nccc(C)n1 ZINC001158370312 1381221023 /nfs/dbraw/zinc/22/10/23/1381221023.db2.gz UMKYAGUXDWIWMY-ZWKOTPCHSA-N 1 2 344.503 3.200 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nocc1C ZINC001158370676 1381222063 /nfs/dbraw/zinc/22/20/63/1381222063.db2.gz YHXZDVSJPRMDLG-NVXWUHKLSA-N 1 2 333.476 3.398 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nocc1C ZINC001158370676 1381222068 /nfs/dbraw/zinc/22/20/68/1381222068.db2.gz YHXZDVSJPRMDLG-NVXWUHKLSA-N 1 2 333.476 3.398 20 30 EGEDLO CC(C)(C)C#CC(=O)NCCC1=CC[N@H+](C/C(Cl)=C\Cl)CC1 ZINC001160084934 1381993232 /nfs/dbraw/zinc/99/32/32/1381993232.db2.gz YTSLLBKOJUCMEY-NTCAYCPXSA-N 1 2 343.298 3.493 20 30 EGEDLO CC(C)(C)C#CC(=O)NCCC1=CC[N@@H+](C/C(Cl)=C\Cl)CC1 ZINC001160084934 1381993236 /nfs/dbraw/zinc/99/32/36/1381993236.db2.gz YTSLLBKOJUCMEY-NTCAYCPXSA-N 1 2 343.298 3.493 20 30 EGEDLO C=C(C)CCC(=O)NCCC1=CC[N@H+](Cc2nc(C)c(C)o2)CC1 ZINC001160269483 1382057035 /nfs/dbraw/zinc/05/70/35/1382057035.db2.gz XCVKIEHRYCXDSE-UHFFFAOYSA-N 1 2 331.460 3.286 20 30 EGEDLO C=C(C)CCC(=O)NCCC1=CC[N@@H+](Cc2nc(C)c(C)o2)CC1 ZINC001160269483 1382057041 /nfs/dbraw/zinc/05/70/41/1382057041.db2.gz XCVKIEHRYCXDSE-UHFFFAOYSA-N 1 2 331.460 3.286 20 30 EGEDLO Cc1cccn2c([C@H](C)Nc3nc4c(cc3C#N)COCC4)c[nH+]c12 ZINC001160688619 1382171773 /nfs/dbraw/zinc/17/17/73/1382171773.db2.gz RJXOXXKCBNJZOH-ZDUSSCGKSA-N 1 2 333.395 3.155 20 30 EGEDLO COC(=O)C[C@H](c1cc[nH+]c(NCc2ncc(C#N)s2)c1)C1CC1 ZINC001161003717 1382268216 /nfs/dbraw/zinc/26/82/16/1382268216.db2.gz UOOMVIGUGOWCGY-AWEZNQCLSA-N 1 2 342.424 3.079 20 30 EGEDLO Cc1ccc(NC2CC[NH+](CC(=O)c3ccccc3)CC2)nc1C#N ZINC001161143493 1382316604 /nfs/dbraw/zinc/31/66/04/1382316604.db2.gz TXUFRMAPIAWURS-UHFFFAOYSA-N 1 2 334.423 3.021 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1=CC[N@H+](Cc2ncc(C)o2)CC1 ZINC001161335930 1382373887 /nfs/dbraw/zinc/37/38/87/1382373887.db2.gz LKNWUFIWLNAREL-UHFFFAOYSA-N 1 2 331.460 3.224 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2ncc(C)o2)CC1 ZINC001161335930 1382373890 /nfs/dbraw/zinc/37/38/90/1382373890.db2.gz LKNWUFIWLNAREL-UHFFFAOYSA-N 1 2 331.460 3.224 20 30 EGEDLO N#Cc1ccc2cc[nH+]c(NCc3nccn3CC(F)(F)F)c2c1 ZINC001161538110 1382433817 /nfs/dbraw/zinc/43/38/17/1382433817.db2.gz WCVJYFMMABIBQK-UHFFFAOYSA-N 1 2 331.301 3.477 20 30 EGEDLO N#Cc1cc(Cl)c(C(=O)NCc2ccn3cc[nH+]c3c2)c(Cl)c1 ZINC001294904445 1382520142 /nfs/dbraw/zinc/52/01/42/1382520142.db2.gz DWQBCUPEZSTXBF-UHFFFAOYSA-N 1 2 345.189 3.443 20 30 EGEDLO C=CCO[C@@H](C)C(=O)NCCC1=CC[N@H+](C/C(Cl)=C/Cl)CC1 ZINC001161972592 1382579070 /nfs/dbraw/zinc/57/90/70/1382579070.db2.gz GOUANPXUVGZDCL-WZMONFQBSA-N 1 2 347.286 3.035 20 30 EGEDLO C=CCO[C@@H](C)C(=O)NCCC1=CC[N@@H+](C/C(Cl)=C/Cl)CC1 ZINC001161972592 1382579075 /nfs/dbraw/zinc/57/90/75/1382579075.db2.gz GOUANPXUVGZDCL-WZMONFQBSA-N 1 2 347.286 3.035 20 30 EGEDLO N#Cc1ccc2cc[nH+]c(NCc3ccn(CC(F)(F)F)n3)c2c1 ZINC001162024467 1382605765 /nfs/dbraw/zinc/60/57/65/1382605765.db2.gz YJOQRRDFAVQJPQ-UHFFFAOYSA-N 1 2 331.301 3.477 20 30 EGEDLO C[N@@H+]1CCO[C@@H](CNc2c(F)c(F)c(C(F)(F)F)c(F)c2F)C1 ZINC001162690642 1382834449 /nfs/dbraw/zinc/83/44/49/1382834449.db2.gz ZJZPPOSRTJWWBS-LURJTMIESA-N 1 2 346.246 3.004 20 30 EGEDLO C[N@H+]1CCO[C@@H](CNc2c(F)c(F)c(C(F)(F)F)c(F)c2F)C1 ZINC001162690642 1382834453 /nfs/dbraw/zinc/83/44/53/1382834453.db2.gz ZJZPPOSRTJWWBS-LURJTMIESA-N 1 2 346.246 3.004 20 30 EGEDLO C[C@H]1CCCN(c2cc(N3CCc4cc(C#N)ccc4C3)nc[nH+]2)C1 ZINC001164484635 1383191819 /nfs/dbraw/zinc/19/18/19/1383191819.db2.gz LBZGVTQTXZWRFM-HNNXBMFYSA-N 1 2 333.439 3.147 20 30 EGEDLO C[C@H]1CCCN(c2cc(N3CCc4cc(C#N)ccc4C3)[nH+]cn2)C1 ZINC001164484635 1383191820 /nfs/dbraw/zinc/19/18/20/1383191820.db2.gz LBZGVTQTXZWRFM-HNNXBMFYSA-N 1 2 333.439 3.147 20 30 EGEDLO C=CCC(CC=C)C(=O)NCCC1(C[NH2+][C@@H](C)c2noc(C)n2)CC1 ZINC001164647059 1383213438 /nfs/dbraw/zinc/21/34/38/1383213438.db2.gz AMZFRJBDZMLSIT-AWEZNQCLSA-N 1 2 346.475 3.084 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCC1(C[NH2+]Cc2noc(C(C)C)n2)CC1 ZINC001166695601 1383462043 /nfs/dbraw/zinc/46/20/43/1383462043.db2.gz SEURJLTWFKMFPN-LSDHHAIUSA-N 1 2 348.491 3.027 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCC1(C[NH2+]Cc2noc(C(C)C)n2)CC1 ZINC001166695600 1383462206 /nfs/dbraw/zinc/46/22/06/1383462206.db2.gz SEURJLTWFKMFPN-HUUCEWRRSA-N 1 2 348.491 3.027 20 30 EGEDLO CC#Cc1cncc(NCCSCc2csc(C[NH+](C)C)n2)c1 ZINC001168108147 1383818185 /nfs/dbraw/zinc/81/81/85/1383818185.db2.gz BTSOFBJYKIGFFX-UHFFFAOYSA-N 1 2 346.525 3.316 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(CCC)C(=O)[C@@H](F)CC)CC1 ZINC001317005622 1384766990 /nfs/dbraw/zinc/76/69/90/1384766990.db2.gz KNDGFYUBJOQOPQ-AWEZNQCLSA-N 1 2 349.288 3.346 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)c2ccns2)CC1 ZINC001317007658 1384771250 /nfs/dbraw/zinc/77/12/50/1384771250.db2.gz XKDSFFLWVRCQHB-UHFFFAOYSA-N 1 2 327.881 3.212 20 30 EGEDLO C=CCOC(=O)CC[C@H]([NH2+][C@H](CC)CC(C)C)C(=O)OCC=C ZINC001172393194 1384783075 /nfs/dbraw/zinc/78/30/75/1384783075.db2.gz IOTXHXXVVGEZEL-CVEARBPZSA-N 1 2 325.449 3.008 20 30 EGEDLO C=C[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1nc(C)oc1C)c1ccccc1 ZINC001317415531 1385125529 /nfs/dbraw/zinc/12/55/29/1385125529.db2.gz LPFDJTRKLXYVAT-KSSFIOAISA-N 1 2 341.455 3.246 20 30 EGEDLO Cc1ccc(C(=O)NCC[N@@H+](C)Cc2ccc(C#N)cc2F)c(C)c1 ZINC001317469010 1385163174 /nfs/dbraw/zinc/16/31/74/1385163174.db2.gz JANGDTOLORJMHF-UHFFFAOYSA-N 1 2 339.414 3.176 20 30 EGEDLO Cc1ccc(C(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2F)c(C)c1 ZINC001317469010 1385163176 /nfs/dbraw/zinc/16/31/76/1385163176.db2.gz JANGDTOLORJMHF-UHFFFAOYSA-N 1 2 339.414 3.176 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1csc2c1CC[C@H](C)C2 ZINC001317469700 1385163791 /nfs/dbraw/zinc/16/37/91/1385163791.db2.gz OEDGALZUXHCHBJ-NSHDSACASA-N 1 2 326.893 3.287 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1csc2c1CC[C@H](C)C2 ZINC001317469700 1385163795 /nfs/dbraw/zinc/16/37/95/1385163795.db2.gz OEDGALZUXHCHBJ-NSHDSACASA-N 1 2 326.893 3.287 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc2cc(F)ccc2s1 ZINC001317470932 1385165326 /nfs/dbraw/zinc/16/53/26/1385165326.db2.gz YCYGAGAIXYBGKT-UHFFFAOYSA-N 1 2 326.824 3.455 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc2cc(F)ccc2s1 ZINC001317470932 1385165330 /nfs/dbraw/zinc/16/53/30/1385165330.db2.gz YCYGAGAIXYBGKT-UHFFFAOYSA-N 1 2 326.824 3.455 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H](C)OC1CCCCCC1 ZINC001317487278 1385185125 /nfs/dbraw/zinc/18/51/25/1385185125.db2.gz JIWCKKHLBAQPJF-HNNXBMFYSA-N 1 2 330.900 3.305 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H](C)OC1CCCCCC1 ZINC001317487278 1385185127 /nfs/dbraw/zinc/18/51/27/1385185127.db2.gz JIWCKKHLBAQPJF-HNNXBMFYSA-N 1 2 330.900 3.305 20 30 EGEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)CCC1CCC1)C1CC1 ZINC001317550877 1385308764 /nfs/dbraw/zinc/30/87/64/1385308764.db2.gz QTUCKPJFLAQXDO-UHFFFAOYSA-N 1 2 325.456 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@H+](CCNC(=O)CCC1CCC1)C1CC1 ZINC001317550877 1385308767 /nfs/dbraw/zinc/30/87/67/1385308767.db2.gz QTUCKPJFLAQXDO-UHFFFAOYSA-N 1 2 325.456 3.219 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)C[C@@H]1OCCc2ccccc21)C1CC1 ZINC001317558467 1385331383 /nfs/dbraw/zinc/33/13/83/1385331383.db2.gz JAYMNIAIBKQLLV-SFHVURJKSA-N 1 2 348.874 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)C[C@@H]1OCCc2ccccc21)C1CC1 ZINC001317558467 1385331389 /nfs/dbraw/zinc/33/13/89/1385331389.db2.gz JAYMNIAIBKQLLV-SFHVURJKSA-N 1 2 348.874 3.024 20 30 EGEDLO Cc1[nH]nc2cc(Nc3ccc(N4CC[NH+](C)CC4)c(C#N)c3)ccc12 ZINC001175662372 1385366999 /nfs/dbraw/zinc/36/69/99/1385366999.db2.gz JJCQDJHDBGDKJC-UHFFFAOYSA-N 1 2 346.438 3.238 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2ncc3ccccn32)C1 ZINC001317760985 1385450403 /nfs/dbraw/zinc/45/04/03/1385450403.db2.gz BRJKEMXCDWUOKL-INIZCTEOSA-N 1 2 346.862 3.013 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2ncc3ccccn32)C1 ZINC001317760985 1385450405 /nfs/dbraw/zinc/45/04/05/1385450405.db2.gz BRJKEMXCDWUOKL-INIZCTEOSA-N 1 2 346.862 3.013 20 30 EGEDLO C=CC[C@H](C(=O)NCCC[NH2+]CC(F)(F)C(F)F)c1ccccc1 ZINC001176698673 1385663214 /nfs/dbraw/zinc/66/32/14/1385663214.db2.gz WFLWLMHIMYKJIP-AWEZNQCLSA-N 1 2 346.368 3.343 20 30 EGEDLO N#Cc1c[nH]c2cc(NC(=O)[C@H]3CCCN(c4cccc[nH+]4)C3)ccc12 ZINC001176967781 1385757564 /nfs/dbraw/zinc/75/75/64/1385757564.db2.gz WMEZMOVKYZBORX-AWEZNQCLSA-N 1 2 345.406 3.290 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C3(CC(C)C)CCC3)C[C@@H]21 ZINC001177047391 1385784363 /nfs/dbraw/zinc/78/43/63/1385784363.db2.gz DSLRVWPGZFGRSM-ZWKOTPCHSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(CC(C)C)CCC3)C[C@@H]21 ZINC001177047391 1385784369 /nfs/dbraw/zinc/78/43/69/1385784369.db2.gz DSLRVWPGZFGRSM-ZWKOTPCHSA-N 1 2 334.504 3.081 20 30 EGEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCCCCCCC)C[C@@H]21 ZINC001177140286 1385830080 /nfs/dbraw/zinc/83/00/80/1385830080.db2.gz XWYDDJBPPOTHSZ-RBUKOAKNSA-N 1 2 334.504 3.062 20 30 EGEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCCCCCC)C[C@@H]21 ZINC001177140286 1385830086 /nfs/dbraw/zinc/83/00/86/1385830086.db2.gz XWYDDJBPPOTHSZ-RBUKOAKNSA-N 1 2 334.504 3.062 20 30 EGEDLO C=CCn1cnn(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)c1=S ZINC001319098369 1385960384 /nfs/dbraw/zinc/96/03/84/1385960384.db2.gz IRWYJPOSJIEHOI-KRWDZBQOSA-N 1 2 344.484 3.096 20 30 EGEDLO C=CCn1cnn(C[N@H+]2CC[C@H](COCc3ccccc3)C2)c1=S ZINC001319098369 1385960388 /nfs/dbraw/zinc/96/03/88/1385960388.db2.gz IRWYJPOSJIEHOI-KRWDZBQOSA-N 1 2 344.484 3.096 20 30 EGEDLO Cc1cc(C#N)c(F)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177622621 1386009637 /nfs/dbraw/zinc/00/96/37/1386009637.db2.gz OZUXTDDXQZPFRP-QGZVFWFLSA-N 1 2 327.359 3.202 20 30 EGEDLO Cc1cc(C#N)c(F)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccco1 ZINC001177622621 1386009656 /nfs/dbraw/zinc/00/96/56/1386009656.db2.gz OZUXTDDXQZPFRP-QGZVFWFLSA-N 1 2 327.359 3.202 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](C)Cc1ccccc1F ZINC001320041798 1386470135 /nfs/dbraw/zinc/47/01/35/1386470135.db2.gz JWXITQXLRDRCLX-CYBMUJFWSA-N 1 2 326.843 3.147 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](C)Cc1ccccc1F ZINC001320041798 1386470140 /nfs/dbraw/zinc/47/01/40/1386470140.db2.gz JWXITQXLRDRCLX-CYBMUJFWSA-N 1 2 326.843 3.147 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)C2(c3ccc(Cl)cc3Cl)CC2)CC1 ZINC001180855958 1386884948 /nfs/dbraw/zinc/88/49/48/1386884948.db2.gz HKRXHXAPNTXUOE-UHFFFAOYSA-N 1 2 339.266 3.355 20 30 EGEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)c3cc(C[NH+](C)C)on3)sc2C1 ZINC001336230044 1389041815 /nfs/dbraw/zinc/04/18/15/1389041815.db2.gz ISKGRRRSYVURKN-SNVBAGLBSA-N 1 2 344.440 3.046 20 30 EGEDLO N#Cc1cc(Cl)nc(N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC001336575772 1389122194 /nfs/dbraw/zinc/12/21/94/1389122194.db2.gz BWFDSUUTKZIRIG-UHFFFAOYSA-N 1 2 329.835 3.500 20 30 EGEDLO COC(=O)[C@@H](C)Oc1ccccc1C[N@H+](CCC#N)CC(C)(C)C ZINC001336685380 1389134911 /nfs/dbraw/zinc/13/49/11/1389134911.db2.gz FGLVYJLPWPWLSI-OAHLLOKOSA-N 1 2 332.444 3.389 20 30 EGEDLO COC(=O)[C@@H](C)Oc1ccccc1C[N@@H+](CCC#N)CC(C)(C)C ZINC001336685380 1389134912 /nfs/dbraw/zinc/13/49/12/1389134912.db2.gz FGLVYJLPWPWLSI-OAHLLOKOSA-N 1 2 332.444 3.389 20 30 EGEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(CC)C1CCCC1 ZINC001338694036 1389734593 /nfs/dbraw/zinc/73/45/93/1389734593.db2.gz UGKWAEXSBZWZSW-KRWDZBQOSA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(CC)C1CCCC1 ZINC001338694036 1389734597 /nfs/dbraw/zinc/73/45/97/1389734597.db2.gz UGKWAEXSBZWZSW-KRWDZBQOSA-N 1 2 347.507 3.015 20 30 EGEDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Cl)c(F)c1 ZINC001341457744 1390489557 /nfs/dbraw/zinc/48/95/57/1390489557.db2.gz XXOHGKQQXFGVRH-HWPZZCPQSA-N 1 2 331.778 3.228 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N(CCOC)CC(C)C ZINC001342328196 1390601285 /nfs/dbraw/zinc/60/12/85/1390601285.db2.gz INTXGDKCOCXTLM-QGZVFWFLSA-N 1 2 349.523 3.120 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N(CCOC)CC(C)C ZINC001342328196 1390601289 /nfs/dbraw/zinc/60/12/89/1390601289.db2.gz INTXGDKCOCXTLM-QGZVFWFLSA-N 1 2 349.523 3.120 20 30 EGEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H](CCC)C1 ZINC001342542969 1390624453 /nfs/dbraw/zinc/62/44/53/1390624453.db2.gz RJZDHUHKQQZVCK-INIZCTEOSA-N 1 2 342.491 3.195 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)CC(F)(F)F ZINC001342977909 1390679959 /nfs/dbraw/zinc/67/99/59/1390679959.db2.gz GMVAQOLRQGBOBV-LBPRGKRZSA-N 1 2 331.386 3.010 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)CC(F)(F)F ZINC001342977909 1390679961 /nfs/dbraw/zinc/67/99/61/1390679961.db2.gz GMVAQOLRQGBOBV-LBPRGKRZSA-N 1 2 331.386 3.010 20 30 EGEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)C[C@H](C)CC ZINC001343007740 1390683260 /nfs/dbraw/zinc/68/32/60/1390683260.db2.gz SBSVYCYLOCDGHG-IAGOWNOFSA-N 1 2 349.523 3.118 20 30 EGEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)C[C@H](C)CC ZINC001343007740 1390683262 /nfs/dbraw/zinc/68/32/62/1390683262.db2.gz SBSVYCYLOCDGHG-IAGOWNOFSA-N 1 2 349.523 3.118 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](CC#N)C1 ZINC001343927137 1390744809 /nfs/dbraw/zinc/74/48/09/1390744809.db2.gz GRKTVUZKUSZBQY-IRXDYDNUSA-N 1 2 342.491 3.141 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](CC#N)C1 ZINC001343927137 1390744811 /nfs/dbraw/zinc/74/48/11/1390744811.db2.gz GRKTVUZKUSZBQY-IRXDYDNUSA-N 1 2 342.491 3.141 20 30 EGEDLO CC[N@H+](C)[C@H](C(=O)O[C@@H](C)CC#Cc1cccnc1)c1ccccc1 ZINC001345044048 1390832744 /nfs/dbraw/zinc/83/27/44/1390832744.db2.gz AFHHYABRMACZPO-PXNSSMCTSA-N 1 2 336.435 3.448 20 30 EGEDLO CC[N@@H+](C)[C@H](C(=O)O[C@@H](C)CC#Cc1cccnc1)c1ccccc1 ZINC001345044048 1390832747 /nfs/dbraw/zinc/83/27/47/1390832747.db2.gz AFHHYABRMACZPO-PXNSSMCTSA-N 1 2 336.435 3.448 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCc2cc(Cl)cs2)C1 ZINC001479964491 1392499928 /nfs/dbraw/zinc/49/99/28/1392499928.db2.gz MNAXYROJPLFDRG-LBPRGKRZSA-N 1 2 333.284 3.277 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCc2cc(Cl)cs2)C1 ZINC001479964491 1392499931 /nfs/dbraw/zinc/49/99/31/1392499931.db2.gz MNAXYROJPLFDRG-LBPRGKRZSA-N 1 2 333.284 3.277 20 30 EGEDLO CCCC1(C(=O)NCC[N@H+](Cc2ccccc2C#N)C2CC2)CC1 ZINC001481184201 1393144360 /nfs/dbraw/zinc/14/43/60/1393144360.db2.gz BITKNCABDNUEAW-UHFFFAOYSA-N 1 2 325.456 3.219 20 30 EGEDLO CCCC1(C(=O)NCC[N@@H+](Cc2ccccc2C#N)C2CC2)CC1 ZINC001481184201 1393144361 /nfs/dbraw/zinc/14/43/61/1393144361.db2.gz BITKNCABDNUEAW-UHFFFAOYSA-N 1 2 325.456 3.219 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1scnc1C(C)C)C1CC1 ZINC001481189778 1393145893 /nfs/dbraw/zinc/14/58/93/1393145893.db2.gz ZCDNBJKJPZWYKM-UHFFFAOYSA-N 1 2 327.881 3.213 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1scnc1C(C)C)C1CC1 ZINC001481189778 1393145894 /nfs/dbraw/zinc/14/58/94/1393145894.db2.gz ZCDNBJKJPZWYKM-UHFFFAOYSA-N 1 2 327.881 3.213 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2nc(-c3ccco3)oc2C)C1 ZINC001481524284 1394375562 /nfs/dbraw/zinc/37/55/62/1394375562.db2.gz HORGWNCLVURDBS-OAHLLOKOSA-N 1 2 343.427 3.290 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCC[N@H+](Cc2nc(-c3ccco3)oc2C)C1 ZINC001481524284 1394375565 /nfs/dbraw/zinc/37/55/65/1394375565.db2.gz HORGWNCLVURDBS-OAHLLOKOSA-N 1 2 343.427 3.290 20 30 EGEDLO CC(C)C[C@H](C)CC(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001481654030 1394433673 /nfs/dbraw/zinc/43/36/73/1394433673.db2.gz GLPKRSCPPNDZPK-HNNXBMFYSA-N 1 2 345.462 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CCOc2ccccc2C)C1 ZINC001481751733 1394495898 /nfs/dbraw/zinc/49/58/98/1394495898.db2.gz ODOADLMASYWAGK-MRXNPFEDSA-N 1 2 336.863 3.049 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CCOc2ccccc2C)C1 ZINC001481751733 1394495899 /nfs/dbraw/zinc/49/58/99/1394495899.db2.gz ODOADLMASYWAGK-MRXNPFEDSA-N 1 2 336.863 3.049 20 30 EGEDLO CC(C)C(C)(C)C(=O)N(C)CC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001698987580 1406773439 /nfs/dbraw/zinc/77/34/39/1406773439.db2.gz ADGXPXMQFWBCSY-UHFFFAOYSA-N 1 2 333.451 3.270 20 30 EGEDLO CC(C)C(C)(C)C(=O)N(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001698987580 1406773441 /nfs/dbraw/zinc/77/34/41/1406773441.db2.gz ADGXPXMQFWBCSY-UHFFFAOYSA-N 1 2 333.451 3.270 20 30 EGEDLO CCC(CC)(CC)C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001692342203 1405961351 /nfs/dbraw/zinc/96/13/51/1405961351.db2.gz JKBOKTDLKSOOBF-UHFFFAOYSA-N 1 2 327.472 3.323 20 30 EGEDLO C[C@@H](C#N)C(=O)NCC[N@H+](Cc1cc(Cl)ccc1Cl)C1CC1 ZINC001731874267 1428136189 /nfs/dbraw/zinc/13/61/89/1428136189.db2.gz LSZKJIQGZLQOCC-NSHDSACASA-N 1 2 340.254 3.234 20 30 EGEDLO C[C@@H](C#N)C(=O)NCC[N@@H+](Cc1cc(Cl)ccc1Cl)C1CC1 ZINC001731874267 1428136192 /nfs/dbraw/zinc/13/61/92/1428136192.db2.gz LSZKJIQGZLQOCC-NSHDSACASA-N 1 2 340.254 3.234 20 30 EGEDLO CCCN(C(=O)c1ccccn1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001732035222 1428254939 /nfs/dbraw/zinc/25/49/39/1428254939.db2.gz VEZOHFVNGAVVGI-IBGZPJMESA-N 1 2 348.450 3.080 20 30 EGEDLO CCCN(C(=O)c1ccccn1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001732035222 1428254942 /nfs/dbraw/zinc/25/49/42/1428254942.db2.gz VEZOHFVNGAVVGI-IBGZPJMESA-N 1 2 348.450 3.080 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2ncc(C)cc2C)C1 ZINC001732039794 1428266612 /nfs/dbraw/zinc/26/66/12/1428266612.db2.gz VJNHOFCBSVLALV-INIZCTEOSA-N 1 2 335.879 3.377 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2ncc(C)cc2C)C1 ZINC001732039794 1428266617 /nfs/dbraw/zinc/26/66/17/1428266617.db2.gz VJNHOFCBSVLALV-INIZCTEOSA-N 1 2 335.879 3.377 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)CCC(C)C)C1 ZINC001732179360 1428425717 /nfs/dbraw/zinc/42/57/17/1428425717.db2.gz XLOLAHOEJKHKMT-AWEZNQCLSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)CCC(C)C)C1 ZINC001732179360 1428425720 /nfs/dbraw/zinc/42/57/20/1428425720.db2.gz XLOLAHOEJKHKMT-AWEZNQCLSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCOc1ccc(C)cc1C ZINC001699443604 1412775506 /nfs/dbraw/zinc/77/55/06/1412775506.db2.gz FKJBJUKTIRGOQG-INIZCTEOSA-N 1 2 338.879 3.261 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCOc1ccc(C)cc1C ZINC001699443604 1412775509 /nfs/dbraw/zinc/77/55/09/1412775509.db2.gz FKJBJUKTIRGOQG-INIZCTEOSA-N 1 2 338.879 3.261 20 30 EGEDLO C[C@@H](C#N)C(=O)NCc1ccc2c(c1)C[N@@H+](Cc1ccccc1F)C2 ZINC001700254057 1413704022 /nfs/dbraw/zinc/70/40/22/1413704022.db2.gz VGQQKFCWASVBTP-AWEZNQCLSA-N 1 2 337.398 3.117 20 30 EGEDLO C[C@@H](C#N)C(=O)NCc1ccc2c(c1)C[N@H+](Cc1ccccc1F)C2 ZINC001700254057 1413704026 /nfs/dbraw/zinc/70/40/26/1413704026.db2.gz VGQQKFCWASVBTP-AWEZNQCLSA-N 1 2 337.398 3.117 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)[C@@H]1CCCC1(C)C ZINC001732589249 1428809147 /nfs/dbraw/zinc/80/91/47/1428809147.db2.gz HSXLAYFHYHCDRU-SFHVURJKSA-N 1 2 327.472 3.275 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)[C@@H]1CCCC1(C)C ZINC001732589249 1428809151 /nfs/dbraw/zinc/80/91/51/1428809151.db2.gz HSXLAYFHYHCDRU-SFHVURJKSA-N 1 2 327.472 3.275 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccnc(O[C@H](C)CC)c1 ZINC001732594709 1428826595 /nfs/dbraw/zinc/82/65/95/1428826595.db2.gz LTXKHRPGIRCEPI-CQSZACIVSA-N 1 2 339.867 3.015 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccnc(O[C@H](C)CC)c1 ZINC001732594709 1428826604 /nfs/dbraw/zinc/82/66/04/1428826604.db2.gz LTXKHRPGIRCEPI-CQSZACIVSA-N 1 2 339.867 3.015 20 30 EGEDLO CC[C@H](C)CC(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001713556026 1418348114 /nfs/dbraw/zinc/34/81/14/1418348114.db2.gz YKAPMYOWKWAIGK-AWEZNQCLSA-N 1 2 331.435 3.214 20 30 EGEDLO CC[C@H](C)CC(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001713556026 1418348117 /nfs/dbraw/zinc/34/81/17/1418348117.db2.gz YKAPMYOWKWAIGK-AWEZNQCLSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1sccc1C)C1CC1 ZINC001713557139 1418350029 /nfs/dbraw/zinc/35/00/29/1418350029.db2.gz JRFSNNZSJAMYHR-HUUCEWRRSA-N 1 2 338.904 3.493 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1sccc1C)C1CC1 ZINC001713557139 1418350032 /nfs/dbraw/zinc/35/00/32/1418350032.db2.gz JRFSNNZSJAMYHR-HUUCEWRRSA-N 1 2 338.904 3.493 20 30 EGEDLO C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001713822361 1418623968 /nfs/dbraw/zinc/62/39/68/1418623968.db2.gz OMDGSHSHONDZRZ-DZGCQCFKSA-N 1 2 334.410 3.266 20 30 EGEDLO C[C@@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001713822361 1418623969 /nfs/dbraw/zinc/62/39/69/1418623969.db2.gz OMDGSHSHONDZRZ-DZGCQCFKSA-N 1 2 334.410 3.266 20 30 EGEDLO C=C(Cl)C[NH2+]C[C@](C)(NC(=O)c1cccc2nc(C)[nH]c21)C1CC1 ZINC001715117105 1419861419 /nfs/dbraw/zinc/86/14/19/1419861419.db2.gz AMICJVKQRNAVQC-SFHVURJKSA-N 1 2 346.862 3.112 20 30 EGEDLO CCC(C)(CC)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001723484724 1424437198 /nfs/dbraw/zinc/43/71/98/1424437198.db2.gz ZUSYQGJREQADMC-QGZVFWFLSA-N 1 2 343.471 3.084 20 30 EGEDLO CCC(C)(CC)C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001723484724 1424437202 /nfs/dbraw/zinc/43/72/02/1424437202.db2.gz ZUSYQGJREQADMC-QGZVFWFLSA-N 1 2 343.471 3.084 20 30 EGEDLO CCCCc1nc(C[NH+]2CCC(N(C)C(=O)[C@@H](C)C#N)CC2)cs1 ZINC001731346683 1427284797 /nfs/dbraw/zinc/28/47/97/1427284797.db2.gz OSUKWJSKRXFPQY-AWEZNQCLSA-N 1 2 348.516 3.068 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2ccc(Cl)cc2)C1 ZINC001734129137 1437906730 /nfs/dbraw/zinc/90/67/30/1437906730.db2.gz PAMBZFTZLZDYQY-LBPRGKRZSA-N 1 2 327.255 3.072 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001752326934 1440170858 /nfs/dbraw/zinc/17/08/58/1440170858.db2.gz NRNAZBBAOGHNJQ-HOCLYGCPSA-N 1 2 335.879 3.418 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001752326934 1440170860 /nfs/dbraw/zinc/17/08/60/1440170860.db2.gz NRNAZBBAOGHNJQ-HOCLYGCPSA-N 1 2 335.879 3.418 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1sc(C)nc1CC(C)C ZINC001753055735 1440281220 /nfs/dbraw/zinc/28/12/20/1440281220.db2.gz NHBLQLNIAJBRPD-UHFFFAOYSA-N 1 2 329.897 3.064 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1sc(C)nc1CC(C)C ZINC001753055735 1440281221 /nfs/dbraw/zinc/28/12/21/1440281221.db2.gz NHBLQLNIAJBRPD-UHFFFAOYSA-N 1 2 329.897 3.064 20 30 EGEDLO C[N@H+](CCNC(=O)CCCc1cccs1)Cc1ccccc1C#N ZINC001753071819 1440288622 /nfs/dbraw/zinc/28/86/22/1440288622.db2.gz AGQMPBITSPFFDF-UHFFFAOYSA-N 1 2 341.480 3.191 20 30 EGEDLO C[N@@H+](CCNC(=O)CCCc1cccs1)Cc1ccccc1C#N ZINC001753071819 1440288623 /nfs/dbraw/zinc/28/86/23/1440288623.db2.gz AGQMPBITSPFFDF-UHFFFAOYSA-N 1 2 341.480 3.191 20 30 EGEDLO C[N@H+](CCNC(=O)c1ccccc1Cl)Cc1ccccc1C#N ZINC001753071583 1440288677 /nfs/dbraw/zinc/28/86/77/1440288677.db2.gz UIZMYPSHLWCBST-UHFFFAOYSA-N 1 2 327.815 3.073 20 30 EGEDLO C[N@@H+](CCNC(=O)c1ccccc1Cl)Cc1ccccc1C#N ZINC001753071583 1440288678 /nfs/dbraw/zinc/28/86/78/1440288678.db2.gz UIZMYPSHLWCBST-UHFFFAOYSA-N 1 2 327.815 3.073 20 30 EGEDLO Cc1cccc(F)c1C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001753074571 1440290590 /nfs/dbraw/zinc/29/05/90/1440290590.db2.gz BKGOWFYGJLROEE-UHFFFAOYSA-N 1 2 343.377 3.007 20 30 EGEDLO Cc1cccc(F)c1C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001753074571 1440290591 /nfs/dbraw/zinc/29/05/91/1440290591.db2.gz BKGOWFYGJLROEE-UHFFFAOYSA-N 1 2 343.377 3.007 20 30 EGEDLO CC1CCC(C)(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)CC1 ZINC001753075280 1440291077 /nfs/dbraw/zinc/29/10/77/1440291077.db2.gz RIGDROQSWZFMGI-UHFFFAOYSA-N 1 2 327.472 3.323 20 30 EGEDLO CC1CCC(C)(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)CC1 ZINC001753075280 1440291078 /nfs/dbraw/zinc/29/10/78/1440291078.db2.gz RIGDROQSWZFMGI-UHFFFAOYSA-N 1 2 327.472 3.323 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cccc2ccc(C)nc21)C1CC1 ZINC001753156147 1440330865 /nfs/dbraw/zinc/33/08/65/1440330865.db2.gz XKJDYQOABGEQQK-UHFFFAOYSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cccc2ccc(C)nc21)C1CC1 ZINC001753156147 1440330866 /nfs/dbraw/zinc/33/08/66/1440330866.db2.gz XKJDYQOABGEQQK-UHFFFAOYSA-N 1 2 343.858 3.490 20 30 EGEDLO C=CCC1(C(=O)N(C)CC[NH2+][C@@H](C)c2csnn2)CCCCC1 ZINC001753264070 1440344522 /nfs/dbraw/zinc/34/45/22/1440344522.db2.gz GSYGOUGCQFZSEF-AWEZNQCLSA-N 1 2 336.505 3.174 20 30 EGEDLO CC1(C(=O)NC[C@H]([NH2+]Cc2ccccc2C#N)c2ccccc2)CC1 ZINC001753299427 1440353367 /nfs/dbraw/zinc/35/33/67/1440353367.db2.gz WJVKEYGMSKVQAK-IBGZPJMESA-N 1 2 333.435 3.305 20 30 EGEDLO CCCN(C(=O)c1ccco1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001753312667 1440357314 /nfs/dbraw/zinc/35/73/14/1440357314.db2.gz BTHGPRKVKMQJHK-SFHVURJKSA-N 1 2 337.423 3.278 20 30 EGEDLO CCCN(C(=O)c1ccco1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001753312667 1440357315 /nfs/dbraw/zinc/35/73/15/1440357315.db2.gz BTHGPRKVKMQJHK-SFHVURJKSA-N 1 2 337.423 3.278 20 30 EGEDLO CC#CCCCC(=O)N(CCC)[C@@H]1CC[N@@H+]([C@@H](C)c2ncccn2)C1 ZINC001753318899 1440361728 /nfs/dbraw/zinc/36/17/28/1440361728.db2.gz SGVRWIBUFQLRHS-ZWKOTPCHSA-N 1 2 342.487 3.044 20 30 EGEDLO CC#CCCCC(=O)N(CCC)[C@@H]1CC[N@H+]([C@@H](C)c2ncccn2)C1 ZINC001753318899 1440361729 /nfs/dbraw/zinc/36/17/29/1440361729.db2.gz SGVRWIBUFQLRHS-ZWKOTPCHSA-N 1 2 342.487 3.044 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)CC(F)(F)F)C1 ZINC001753448125 1440404839 /nfs/dbraw/zinc/40/48/39/1440404839.db2.gz NGNSMBIYLXAVIW-VXGBXAGGSA-N 1 2 326.790 3.250 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)CC(F)(F)F)C1 ZINC001753448125 1440404840 /nfs/dbraw/zinc/40/48/40/1440404840.db2.gz NGNSMBIYLXAVIW-VXGBXAGGSA-N 1 2 326.790 3.250 20 30 EGEDLO C=CCC1(C(=O)N(C)[C@H]2CC[N@@H+]([C@H](C)c3ncccn3)C2)CCCC1 ZINC001753450783 1440405842 /nfs/dbraw/zinc/40/58/42/1440405842.db2.gz UBGSKWQUWQIJFQ-SJORKVTESA-N 1 2 342.487 3.207 20 30 EGEDLO C=CCC1(C(=O)N(C)[C@H]2CC[N@H+]([C@H](C)c3ncccn3)C2)CCCC1 ZINC001753450783 1440405843 /nfs/dbraw/zinc/40/58/43/1440405843.db2.gz UBGSKWQUWQIJFQ-SJORKVTESA-N 1 2 342.487 3.207 20 30 EGEDLO CC#CCCCC(=O)N(CC)[C@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001753458064 1440409325 /nfs/dbraw/zinc/40/93/25/1440409325.db2.gz BGVQCZXJNPSPIB-KRWDZBQOSA-N 1 2 347.890 3.351 20 30 EGEDLO CC#CCCCC(=O)N(CC)[C@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001753458064 1440409326 /nfs/dbraw/zinc/40/93/26/1440409326.db2.gz BGVQCZXJNPSPIB-KRWDZBQOSA-N 1 2 347.890 3.351 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H](CC)OC2CCCC2)C1 ZINC001753460206 1440410276 /nfs/dbraw/zinc/41/02/76/1440410276.db2.gz ZAEBVYMEHVDYIQ-DOTOQJQBSA-N 1 2 342.911 3.400 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](CC)OC2CCCC2)C1 ZINC001753460206 1440410277 /nfs/dbraw/zinc/41/02/77/1440410277.db2.gz ZAEBVYMEHVDYIQ-DOTOQJQBSA-N 1 2 342.911 3.400 20 30 EGEDLO C=C(C)CCC(=O)N1CCC2(CC[N@@H+]([C@@H](C)c3noc(C)n3)C2)CC1 ZINC001753604156 1440447646 /nfs/dbraw/zinc/44/76/46/1440447646.db2.gz WUSINBMUPMJLDD-HNNXBMFYSA-N 1 2 346.475 3.110 20 30 EGEDLO C=C(C)CCC(=O)N1CCC2(CC[N@H+]([C@@H](C)c3noc(C)n3)C2)CC1 ZINC001753604156 1440447647 /nfs/dbraw/zinc/44/76/47/1440447647.db2.gz WUSINBMUPMJLDD-HNNXBMFYSA-N 1 2 346.475 3.110 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc(-c2ccccc2)no1 ZINC001753856868 1440509238 /nfs/dbraw/zinc/50/92/38/1440509238.db2.gz YKLPEMWEWRVGRS-UHFFFAOYSA-N 1 2 333.819 3.098 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc(-c2ccccc2)no1 ZINC001753856868 1440509239 /nfs/dbraw/zinc/50/92/39/1440509239.db2.gz YKLPEMWEWRVGRS-UHFFFAOYSA-N 1 2 333.819 3.098 20 30 EGEDLO N#CC[N@H+](CC1CC1)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC001754548892 1440629096 /nfs/dbraw/zinc/62/90/96/1440629096.db2.gz JTNCBTZRWIMOKN-UHFFFAOYSA-N 1 2 331.847 3.180 20 30 EGEDLO N#CC[N@@H+](CC1CC1)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC001754548892 1440629097 /nfs/dbraw/zinc/62/90/97/1440629097.db2.gz JTNCBTZRWIMOKN-UHFFFAOYSA-N 1 2 331.847 3.180 20 30 EGEDLO C#CCN(C(=O)C1CC(C)C1)C1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC001754636351 1440648563 /nfs/dbraw/zinc/64/85/63/1440648563.db2.gz JIUNRKINUBWMSE-RVDMUPIBSA-N 1 2 343.298 3.278 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)CCCCCC)C1 ZINC001754684266 1440664052 /nfs/dbraw/zinc/66/40/52/1440664052.db2.gz OTECHXIDKVVXEZ-OAHLLOKOSA-N 1 2 331.298 3.446 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)CCCCCC)C1 ZINC001754684266 1440664053 /nfs/dbraw/zinc/66/40/53/1440664053.db2.gz OTECHXIDKVVXEZ-OAHLLOKOSA-N 1 2 331.298 3.446 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@]2(C)CCC[N@H+](Cc3cnns3)C2)CC1 ZINC001754731289 1440679399 /nfs/dbraw/zinc/67/93/99/1440679399.db2.gz QTKUHSNIOZDOKO-GOSISDBHSA-N 1 2 348.516 3.003 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@]2(C)CCC[N@@H+](Cc3cnns3)C2)CC1 ZINC001754731289 1440679400 /nfs/dbraw/zinc/67/94/00/1440679400.db2.gz QTKUHSNIOZDOKO-GOSISDBHSA-N 1 2 348.516 3.003 20 30 EGEDLO C=C(Cl)C[N@@H+](C)Cc1ccccc1CNC(=O)c1c(C)noc1C ZINC001754944194 1440712398 /nfs/dbraw/zinc/71/23/98/1440712398.db2.gz VKIHRESSQWYTQG-UHFFFAOYSA-N 1 2 347.846 3.406 20 30 EGEDLO C=C(Cl)C[N@H+](C)Cc1ccccc1CNC(=O)c1c(C)noc1C ZINC001754944194 1440712399 /nfs/dbraw/zinc/71/23/99/1440712399.db2.gz VKIHRESSQWYTQG-UHFFFAOYSA-N 1 2 347.846 3.406 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)CC1CCCC1 ZINC001755032263 1440732158 /nfs/dbraw/zinc/73/21/58/1440732158.db2.gz DMBOHMITSVCVJW-UHFFFAOYSA-N 1 2 331.298 3.256 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)CC1CCCC1 ZINC001755032263 1440732159 /nfs/dbraw/zinc/73/21/59/1440732159.db2.gz DMBOHMITSVCVJW-UHFFFAOYSA-N 1 2 331.298 3.256 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@](C)(CC)CCCCC)CCO2 ZINC001755050722 1440742876 /nfs/dbraw/zinc/74/28/76/1440742876.db2.gz ABGNCWXHZNQKRR-LJQANCHMSA-N 1 2 336.520 3.472 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H](C)c1ccccc1C)O2 ZINC001755057426 1440744109 /nfs/dbraw/zinc/74/41/09/1440744109.db2.gz WPASGJCJFXEYIO-ZWKOTPCHSA-N 1 2 342.483 3.024 20 30 EGEDLO C=CCCC[N@H+]1Cc2ccc(CNC(=O)C(F)C(F)(F)F)cc2C1 ZINC001755102053 1440753095 /nfs/dbraw/zinc/75/30/95/1440753095.db2.gz GIKQDELQDQCLMN-HNNXBMFYSA-N 1 2 344.352 3.485 20 30 EGEDLO C=CCCC[N@@H+]1Cc2ccc(CNC(=O)C(F)C(F)(F)F)cc2C1 ZINC001755102053 1440753096 /nfs/dbraw/zinc/75/30/96/1440753096.db2.gz GIKQDELQDQCLMN-HNNXBMFYSA-N 1 2 344.352 3.485 20 30 EGEDLO C=CCCC[N@H+]1Cc2ccc(CNC(=O)[C@H](F)C(F)(F)F)cc2C1 ZINC001755102053 1440753097 /nfs/dbraw/zinc/75/30/97/1440753097.db2.gz GIKQDELQDQCLMN-HNNXBMFYSA-N 1 2 344.352 3.485 20 30 EGEDLO C=CCCC[N@@H+]1Cc2ccc(CNC(=O)[C@H](F)C(F)(F)F)cc2C1 ZINC001755102053 1440753098 /nfs/dbraw/zinc/75/30/98/1440753098.db2.gz GIKQDELQDQCLMN-HNNXBMFYSA-N 1 2 344.352 3.485 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CC(C)(C)C)C[C@H]1C ZINC001755158506 1440763925 /nfs/dbraw/zinc/76/39/25/1440763925.db2.gz VZJGUSLJCDUHAK-OLZOCXBDSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CC(C)(C)C)C[C@H]1C ZINC001755158506 1440763926 /nfs/dbraw/zinc/76/39/26/1440763926.db2.gz VZJGUSLJCDUHAK-OLZOCXBDSA-N 1 2 331.298 3.300 20 30 EGEDLO C=CCCC(=O)N1CCC[C@@H]1C[N@@H+](C)[C@@H](C)c1nnc(CC(C)C)o1 ZINC001755188655 1440774032 /nfs/dbraw/zinc/77/40/32/1440774032.db2.gz IGPPSHQCNNNYRG-JKSUJKDBSA-N 1 2 348.491 3.218 20 30 EGEDLO C=CCCC(=O)N1CCC[C@@H]1C[N@H+](C)[C@@H](C)c1nnc(CC(C)C)o1 ZINC001755188655 1440774033 /nfs/dbraw/zinc/77/40/33/1440774033.db2.gz IGPPSHQCNNNYRG-JKSUJKDBSA-N 1 2 348.491 3.218 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)C1(C)CC=CC1 ZINC001755198193 1440777979 /nfs/dbraw/zinc/77/79/79/1440777979.db2.gz VZUADOVDCIXODY-CQSZACIVSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)C1(C)CC=CC1 ZINC001755198193 1440777980 /nfs/dbraw/zinc/77/79/80/1440777980.db2.gz VZUADOVDCIXODY-CQSZACIVSA-N 1 2 341.293 3.174 20 30 EGEDLO C=CCC1(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2nc(C3CCC3)no2)CCC1 ZINC001755253654 1440792643 /nfs/dbraw/zinc/79/26/43/1440792643.db2.gz URFOESSWPRCCDX-UONOGXRCSA-N 1 2 346.475 3.066 20 30 EGEDLO C=CCC1(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2nc(C3CCC3)no2)CCC1 ZINC001755253653 1440792714 /nfs/dbraw/zinc/79/27/14/1440792714.db2.gz URFOESSWPRCCDX-KGLIPLIRSA-N 1 2 346.475 3.066 20 30 EGEDLO CCC(CC)CC(=O)NC[C@H](C)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001755320961 1440818378 /nfs/dbraw/zinc/81/83/78/1440818378.db2.gz CIFRMYHHVKQZBL-AWEZNQCLSA-N 1 2 333.451 3.460 20 30 EGEDLO CCC(CC)CC(=O)NC[C@H](C)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001755320961 1440818379 /nfs/dbraw/zinc/81/83/79/1440818379.db2.gz CIFRMYHHVKQZBL-AWEZNQCLSA-N 1 2 333.451 3.460 20 30 EGEDLO CCC(CC)CC(=O)NC[C@@H](C)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001755320962 1440818540 /nfs/dbraw/zinc/81/85/40/1440818540.db2.gz CIFRMYHHVKQZBL-CQSZACIVSA-N 1 2 333.451 3.460 20 30 EGEDLO CCC(CC)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001755320962 1440818541 /nfs/dbraw/zinc/81/85/41/1440818541.db2.gz CIFRMYHHVKQZBL-CQSZACIVSA-N 1 2 333.451 3.460 20 30 EGEDLO C#CCCCC(=O)N[C@@H](C)C1C[NH+](Cc2cc(F)ccc2Cl)C1 ZINC001755373925 1440837809 /nfs/dbraw/zinc/83/78/09/1440837809.db2.gz NMVPAXXPTSEOJT-ZDUSSCGKSA-N 1 2 336.838 3.219 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001755381652 1440839413 /nfs/dbraw/zinc/83/94/13/1440839413.db2.gz KCWDGQOYKNLLBM-JLTOFOAXSA-N 1 2 343.446 3.236 20 30 EGEDLO CCCC(=O)N[C@H]1C[N@H+](CC#Cc2ccccc2Cl)CC1(C)C ZINC001755404014 1440843712 /nfs/dbraw/zinc/84/37/12/1440843712.db2.gz ZEXGNRVTXFYNSG-KRWDZBQOSA-N 1 2 332.875 3.318 20 30 EGEDLO CCCC(=O)N[C@H]1C[N@@H+](CC#Cc2ccccc2Cl)CC1(C)C ZINC001755404014 1440843713 /nfs/dbraw/zinc/84/37/13/1440843713.db2.gz ZEXGNRVTXFYNSG-KRWDZBQOSA-N 1 2 332.875 3.318 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[N@@H+]([C@H](C)c2ncc(C)o2)CC1(C)C ZINC001755410360 1440846037 /nfs/dbraw/zinc/84/60/37/1440846037.db2.gz PQUNPKSCVDECOM-CABCVRRESA-N 1 2 333.476 3.473 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[N@H+]([C@H](C)c2ncc(C)o2)CC1(C)C ZINC001755410360 1440846038 /nfs/dbraw/zinc/84/60/38/1440846038.db2.gz PQUNPKSCVDECOM-CABCVRRESA-N 1 2 333.476 3.473 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CCC[N@H+](Cc1nccs1)C2 ZINC001755456165 1440855605 /nfs/dbraw/zinc/85/56/05/1440855605.db2.gz LWZLOZPYRNXOEM-UHFFFAOYSA-N 1 2 333.501 3.170 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CCC[N@@H+](Cc1nccs1)C2 ZINC001755456165 1440855606 /nfs/dbraw/zinc/85/56/06/1440855606.db2.gz LWZLOZPYRNXOEM-UHFFFAOYSA-N 1 2 333.501 3.170 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CCC[N@H+](Cc2nocc2C)[C@@H]1C ZINC001755717218 1440905514 /nfs/dbraw/zinc/90/55/14/1440905514.db2.gz QSINIOXHLBYBRZ-SJORKVTESA-N 1 2 331.460 3.036 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CCC[N@@H+](Cc2nocc2C)[C@@H]1C ZINC001755717218 1440905515 /nfs/dbraw/zinc/90/55/15/1440905515.db2.gz QSINIOXHLBYBRZ-SJORKVTESA-N 1 2 331.460 3.036 20 30 EGEDLO CC(C)N(CC[N@H+](C)[C@H](C)c1ncc(C(C)(C)C)o1)C(=O)[C@@H](C)C#N ZINC001755810631 1440920170 /nfs/dbraw/zinc/92/01/70/1440920170.db2.gz GUUBCROCHHEQJY-LSDHHAIUSA-N 1 2 348.491 3.362 20 30 EGEDLO CC(C)N(CC[N@@H+](C)[C@H](C)c1ncc(C(C)(C)C)o1)C(=O)[C@@H](C)C#N ZINC001755810631 1440920171 /nfs/dbraw/zinc/92/01/71/1440920171.db2.gz GUUBCROCHHEQJY-LSDHHAIUSA-N 1 2 348.491 3.362 20 30 EGEDLO CC(C)c1noc([C@H](C)[N@@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000052801459 214146645 /nfs/dbraw/zinc/14/66/45/214146645.db2.gz AIEBQVLOTSQQGN-HNNXBMFYSA-N 1 2 339.443 3.338 20 30 EGEDLO CC(C)c1noc([C@H](C)[N@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000052801459 214146647 /nfs/dbraw/zinc/14/66/47/214146647.db2.gz AIEBQVLOTSQQGN-HNNXBMFYSA-N 1 2 339.443 3.338 20 30 EGEDLO Cc1cc(N2CCN(c3ccc(C#N)cn3)CC2)c2cccc(F)c2[nH+]1 ZINC000178182092 232102595 /nfs/dbraw/zinc/10/25/95/232102595.db2.gz YUMCJGAWZWIRIR-UHFFFAOYSA-N 1 2 347.397 3.276 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(OC(C)(C)C)CC1 ZINC000162429499 291276138 /nfs/dbraw/zinc/27/61/38/291276138.db2.gz DWRXXJLOUBISTC-QGZVFWFLSA-N 1 2 330.428 3.052 20 30 EGEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2cnc(Cl)s2)CC1 ZINC000078688465 217103136 /nfs/dbraw/zinc/10/31/36/217103136.db2.gz KISDGGGOATVYRX-UHFFFAOYSA-N 1 2 332.860 3.380 20 30 EGEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2cnc(Cl)s2)CC1 ZINC000078688465 217103140 /nfs/dbraw/zinc/10/31/40/217103140.db2.gz KISDGGGOATVYRX-UHFFFAOYSA-N 1 2 332.860 3.380 20 30 EGEDLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)cs1 ZINC000111376261 220148837 /nfs/dbraw/zinc/14/88/37/220148837.db2.gz YLFRNYMGCFWJLP-RYUDHWBXSA-N 1 2 328.441 3.255 20 30 EGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)Cc1ccc(C#N)cc1F ZINC000264056044 246022859 /nfs/dbraw/zinc/02/28/59/246022859.db2.gz JMCYQBWILWLPIZ-UHFFFAOYSA-N 1 2 326.297 3.088 20 30 EGEDLO C#CCC1(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CCCCC1 ZINC000276480390 533000686 /nfs/dbraw/zinc/00/06/86/533000686.db2.gz RZXOCQOMXLVMBY-UHFFFAOYSA-N 1 2 341.455 3.139 20 30 EGEDLO COc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000179655392 533497276 /nfs/dbraw/zinc/49/72/76/533497276.db2.gz RCLQSABDLTZUPF-LJQANCHMSA-N 1 2 326.371 3.279 20 30 EGEDLO COc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000179655392 533497282 /nfs/dbraw/zinc/49/72/82/533497282.db2.gz RCLQSABDLTZUPF-LJQANCHMSA-N 1 2 326.371 3.279 20 30 EGEDLO CC[N@H+](CCCNC(=O)c1ccc(F)c(C#N)c1)c1ccccc1 ZINC000341191622 141134874 /nfs/dbraw/zinc/13/48/74/141134874.db2.gz OLSJHYLAXOQQCP-UHFFFAOYSA-N 1 2 325.387 3.344 20 30 EGEDLO CC[N@@H+](CCCNC(=O)c1ccc(F)c(C#N)c1)c1ccccc1 ZINC000341191622 141134876 /nfs/dbraw/zinc/13/48/76/141134876.db2.gz OLSJHYLAXOQQCP-UHFFFAOYSA-N 1 2 325.387 3.344 20 30 EGEDLO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000348012689 141232390 /nfs/dbraw/zinc/23/23/90/141232390.db2.gz UKDPZBDRKXVJNY-FZKQIMNGSA-N 1 2 333.391 3.490 20 30 EGEDLO N#Cc1ccc(F)c(CNc2ccccc2C[NH+]2CCOCC2)c1 ZINC000178315635 144069165 /nfs/dbraw/zinc/06/91/65/144069165.db2.gz YUOBJPAWMWZEEZ-UHFFFAOYSA-N 1 2 325.387 3.142 20 30 EGEDLO N#Cc1ccc([C@H]([NH2+][C@@H]2CCSc3c(F)cccc32)C(N)=O)cc1 ZINC000115595922 152020438 /nfs/dbraw/zinc/02/04/38/152020438.db2.gz CDYJGXBFCXDHNY-CVEARBPZSA-N 1 2 341.411 3.050 20 30 EGEDLO N#Cc1ccc(CSCC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000120751704 152298737 /nfs/dbraw/zinc/29/87/37/152298737.db2.gz KYECPLJFXVXMKE-INIZCTEOSA-N 1 2 340.452 3.268 20 30 EGEDLO Cc1cc(F)cc2c1C[N@H+]([C@@H](C)C(=O)Nc1ccccc1C#N)CC2 ZINC000337471784 154370001 /nfs/dbraw/zinc/37/00/01/154370001.db2.gz VYBHVISYNYVEBS-AWEZNQCLSA-N 1 2 337.398 3.391 20 30 EGEDLO Cc1cc(F)cc2c1C[N@@H+]([C@@H](C)C(=O)Nc1ccccc1C#N)CC2 ZINC000337471784 154370005 /nfs/dbraw/zinc/37/00/05/154370005.db2.gz VYBHVISYNYVEBS-AWEZNQCLSA-N 1 2 337.398 3.391 20 30 EGEDLO CCNc1ccc(C#N)cc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000354077274 165961375 /nfs/dbraw/zinc/96/13/75/165961375.db2.gz CVGUGGBYWUUETH-UHFFFAOYSA-N 1 2 345.406 3.487 20 30 EGEDLO N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc[nH+]cc2O)o1 ZINC000109889705 162114194 /nfs/dbraw/zinc/11/41/94/162114194.db2.gz ZLMTTZSSCJXQCN-UHFFFAOYSA-N 1 2 335.319 3.083 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)cc1Cl ZINC000125343818 162269301 /nfs/dbraw/zinc/26/93/01/162269301.db2.gz FZJRZLILQSVTIK-MRXNPFEDSA-N 1 2 328.803 3.315 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc1Cl ZINC000125343818 162269304 /nfs/dbraw/zinc/26/93/04/162269304.db2.gz FZJRZLILQSVTIK-MRXNPFEDSA-N 1 2 328.803 3.315 20 30 EGEDLO N#Cc1cc(N(C#N)Cc2cn3cc(Cl)ccc3[nH+]2)ccc1F ZINC000343868692 164053817 /nfs/dbraw/zinc/05/38/17/164053817.db2.gz GMHYMLFBBUJJHJ-UHFFFAOYSA-N 1 2 325.734 3.486 20 30 EGEDLO C[C@H]1CCC[C@@H](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000346062172 164328225 /nfs/dbraw/zinc/32/82/25/164328225.db2.gz XOKZHXTXLIAAPR-FXAWDEMLSA-N 1 2 339.483 3.419 20 30 EGEDLO Cc1nsc(N2CC[NH+](Cc3sccc3Cl)CC2)c1C#N ZINC000352192398 165277273 /nfs/dbraw/zinc/27/72/73/165277273.db2.gz UVOGQJBBKCCKEB-UHFFFAOYSA-N 1 2 338.889 3.360 20 30 EGEDLO N#Cc1ccccc1C[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000352344529 165355215 /nfs/dbraw/zinc/35/52/15/165355215.db2.gz FTQZZBNOBNAXSX-UHFFFAOYSA-N 1 2 328.419 3.429 20 30 EGEDLO C[N@H+](Cc1nc(-c2cccs2)no1)Cc1ccc(C#N)c(F)c1 ZINC000352375505 165369610 /nfs/dbraw/zinc/36/96/10/165369610.db2.gz AEDMBLOSFVUTLM-UHFFFAOYSA-N 1 2 328.372 3.441 20 30 EGEDLO C[N@@H+](Cc1nc(-c2cccs2)no1)Cc1ccc(C#N)c(F)c1 ZINC000352375505 165369612 /nfs/dbraw/zinc/36/96/12/165369612.db2.gz AEDMBLOSFVUTLM-UHFFFAOYSA-N 1 2 328.372 3.441 20 30 EGEDLO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)CC2OCCO2)cc1 ZINC000122218030 222038886 /nfs/dbraw/zinc/03/88/86/222038886.db2.gz VQTSVHHHNXTJFJ-UHFFFAOYSA-N 1 2 326.371 3.072 20 30 EGEDLO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)CC2OCCO2)cc1 ZINC000122218030 222038888 /nfs/dbraw/zinc/03/88/88/222038888.db2.gz VQTSVHHHNXTJFJ-UHFFFAOYSA-N 1 2 326.371 3.072 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c1 ZINC000411989144 270046927 /nfs/dbraw/zinc/04/69/27/270046927.db2.gz RCIZBDGYKPXJET-HXUWFJFHSA-N 1 2 336.366 3.307 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c1 ZINC000411989144 270046928 /nfs/dbraw/zinc/04/69/28/270046928.db2.gz RCIZBDGYKPXJET-HXUWFJFHSA-N 1 2 336.366 3.307 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3ccncc3)o2)c1 ZINC000534316424 270061042 /nfs/dbraw/zinc/06/10/42/270061042.db2.gz YOKZDIXWDBTUGD-KRWDZBQOSA-N 1 2 331.379 3.340 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H]3c3ccncc3)o2)c1 ZINC000534316424 270061043 /nfs/dbraw/zinc/06/10/43/270061043.db2.gz YOKZDIXWDBTUGD-KRWDZBQOSA-N 1 2 331.379 3.340 20 30 EGEDLO CC[C@]1(CO)CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287593072 266433425 /nfs/dbraw/zinc/43/34/25/266433425.db2.gz CWACILBEPRXKQN-INIZCTEOSA-N 1 2 337.261 3.305 20 30 EGEDLO CC[C@]1(CO)CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287593072 266433428 /nfs/dbraw/zinc/43/34/28/266433428.db2.gz CWACILBEPRXKQN-INIZCTEOSA-N 1 2 337.261 3.305 20 30 EGEDLO C[NH+](C)[C@@H](CNc1nc2ccccn2c1C#N)c1c(F)cccc1F ZINC000302095400 266510217 /nfs/dbraw/zinc/51/02/17/266510217.db2.gz NWENZUMGHBAIHC-HNNXBMFYSA-N 1 2 341.365 3.199 20 30 EGEDLO COc1cc(C[NH2+]C(C)(C)c2cn(-c3ccccc3)nn2)ccc1C#N ZINC000281832275 266824017 /nfs/dbraw/zinc/82/40/17/266824017.db2.gz XVIGOTGZSDJGIR-UHFFFAOYSA-N 1 2 347.422 3.172 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000493271336 266864530 /nfs/dbraw/zinc/86/45/30/266864530.db2.gz WYRLQYXCVDVARZ-AWEZNQCLSA-N 1 2 347.434 3.434 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000493271336 266864531 /nfs/dbraw/zinc/86/45/31/266864531.db2.gz WYRLQYXCVDVARZ-AWEZNQCLSA-N 1 2 347.434 3.434 20 30 EGEDLO CCCC(CCC)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000509665236 267000500 /nfs/dbraw/zinc/00/05/00/267000500.db2.gz QWDCAPJNARLAQO-UHFFFAOYSA-N 1 2 327.472 3.419 20 30 EGEDLO CCCC[N@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000439441308 267005740 /nfs/dbraw/zinc/00/57/40/267005740.db2.gz PZHUQAYJEKBTRA-OAHLLOKOSA-N 1 2 340.876 3.001 20 30 EGEDLO CCCC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000439441308 267005742 /nfs/dbraw/zinc/00/57/42/267005742.db2.gz PZHUQAYJEKBTRA-OAHLLOKOSA-N 1 2 340.876 3.001 20 30 EGEDLO C[C@H]1CN(c2ccc(CNc3c(C#N)cccc3C#N)c[nH+]2)C[C@H](C)O1 ZINC000302843244 267239542 /nfs/dbraw/zinc/23/95/42/267239542.db2.gz MWEWZYJMDVUVBB-GJZGRUSLSA-N 1 2 347.422 3.051 20 30 EGEDLO CCn1cc[nH+]c1/C=C/C(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000493147600 267256454 /nfs/dbraw/zinc/25/64/54/267256454.db2.gz IFSAURWMKZGVPO-MDZDMXLPSA-N 1 2 336.439 3.473 20 30 EGEDLO CN(C)c1cc(C#N)cc(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)c1 ZINC000432672865 267293120 /nfs/dbraw/zinc/29/31/20/267293120.db2.gz ZVNZFRKHLKLTTM-UHFFFAOYSA-N 1 2 345.406 3.277 20 30 EGEDLO Cc1cc2[nH+]cn(C[C@H](O)COc3cccc(F)c3C#N)c2cc1C ZINC000270191961 267367098 /nfs/dbraw/zinc/36/70/98/267367098.db2.gz YDEMNUMKTHTVBM-AWEZNQCLSA-N 1 2 339.370 3.104 20 30 EGEDLO Cc1cc2[nH+]cn(C[C@H](O)COc3ccc(C#N)c(F)c3)c2cc1C ZINC000270106425 267368367 /nfs/dbraw/zinc/36/83/67/267368367.db2.gz KKHCICCFTGLYJM-HNNXBMFYSA-N 1 2 339.370 3.104 20 30 EGEDLO N#Cc1cc2c(nc1NCc1ccc(N3CCCCC3)[nH+]c1)CCC2 ZINC000298731252 268026289 /nfs/dbraw/zinc/02/62/89/268026289.db2.gz SLZPLFYMSGHNEC-UHFFFAOYSA-N 1 2 333.439 3.439 20 30 EGEDLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000425595928 268062104 /nfs/dbraw/zinc/06/21/04/268062104.db2.gz KQCJPDIESNNDNC-OAHLLOKOSA-N 1 2 338.386 3.174 20 30 EGEDLO Cc1ccn2cc(CNc3c(C#N)cnc4ccc(C)cc43)[nH+]c2c1 ZINC000488055868 268062132 /nfs/dbraw/zinc/06/21/32/268062132.db2.gz XNQPDTHYWNOLQN-UHFFFAOYSA-N 1 2 327.391 3.405 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c(C#N)c1C ZINC000425531828 268104244 /nfs/dbraw/zinc/10/42/44/268104244.db2.gz IERDALCGLTVAMX-ZDUSSCGKSA-N 1 2 336.395 3.271 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c(C#N)c1C ZINC000425531828 268104245 /nfs/dbraw/zinc/10/42/45/268104245.db2.gz IERDALCGLTVAMX-ZDUSSCGKSA-N 1 2 336.395 3.271 20 30 EGEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3Cc4cccc(Cl)c4C3)C2=O)cc1 ZINC000287579034 268123897 /nfs/dbraw/zinc/12/38/97/268123897.db2.gz XTFLXFGQISCZKL-GOSISDBHSA-N 1 2 337.810 3.333 20 30 EGEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3Cc4cccc(Cl)c4C3)C2=O)cc1 ZINC000287579034 268123900 /nfs/dbraw/zinc/12/39/00/268123900.db2.gz XTFLXFGQISCZKL-GOSISDBHSA-N 1 2 337.810 3.333 20 30 EGEDLO N#Cc1ccc(NC(=O)NCCNc2cccc[nH+]2)cc1C(F)(F)F ZINC000438638279 268244935 /nfs/dbraw/zinc/24/49/35/268244935.db2.gz XAMZLQBQFMZMPL-UHFFFAOYSA-N 1 2 349.316 3.206 20 30 EGEDLO N#Cc1cccc(/C=C/C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000491120004 268266330 /nfs/dbraw/zinc/26/63/30/268266330.db2.gz PVTCMIWRDNQAJE-BQYQJAHWSA-N 1 2 346.434 3.273 20 30 EGEDLO N#Cc1ccnc(N2CC[NH+](Cc3cc(Cl)ccc3F)CC2)c1 ZINC000271044450 268293388 /nfs/dbraw/zinc/29/33/88/268293388.db2.gz PKQRHJBNAWYWTF-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO N#Cc1nccnc1N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000301265380 268332558 /nfs/dbraw/zinc/33/25/58/268332558.db2.gz PLRZFTRDBZVAIM-CQSZACIVSA-N 1 2 345.809 3.217 20 30 EGEDLO N#Cc1nccnc1N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000301265380 268332560 /nfs/dbraw/zinc/33/25/60/268332560.db2.gz PLRZFTRDBZVAIM-CQSZACIVSA-N 1 2 345.809 3.217 20 30 EGEDLO CCC(CC)[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000535589239 314055167 /nfs/dbraw/zinc/05/51/67/314055167.db2.gz FPKFJDXDVXCJSP-MRXNPFEDSA-N 1 2 327.472 3.275 20 30 EGEDLO Cn1cc[nH+]c1[C@H](Nc1nc2ccccn2c1C#N)c1ccccc1 ZINC000541114373 314436552 /nfs/dbraw/zinc/43/65/52/314436552.db2.gz OGLZDOMRTHQJGG-QGZVFWFLSA-N 1 2 328.379 3.141 20 30 EGEDLO Cn1cc[nH+]c1[C@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1ccccc1 ZINC000545915394 314791273 /nfs/dbraw/zinc/79/12/73/314791273.db2.gz FLOQUFHTHJEIGL-QGZVFWFLSA-N 1 2 333.351 3.401 20 30 EGEDLO CCc1cnc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)o1 ZINC000552182687 315204408 /nfs/dbraw/zinc/20/44/08/315204408.db2.gz VLSGPSMKJLQKRF-UHFFFAOYSA-N 1 2 329.375 3.291 20 30 EGEDLO N#Cc1ccncc1N1CC[NH+](C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000555685953 315397879 /nfs/dbraw/zinc/39/78/79/315397879.db2.gz LLDJBMKERMXLMZ-UPHRSURJSA-N 1 2 340.377 3.067 20 30 EGEDLO C=CC[N@@H+](CCC#N)CCC(=O)Nc1ccccc1C(F)(F)F ZINC000292212621 455597276 /nfs/dbraw/zinc/59/72/76/455597276.db2.gz ONEHGUMKSJYKLI-UHFFFAOYSA-N 1 2 325.334 3.436 20 30 EGEDLO C=CC[N@H+](CCC#N)CCC(=O)Nc1ccccc1C(F)(F)F ZINC000292212621 455597283 /nfs/dbraw/zinc/59/72/83/455597283.db2.gz ONEHGUMKSJYKLI-UHFFFAOYSA-N 1 2 325.334 3.436 20 30 EGEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000171590047 533704693 /nfs/dbraw/zinc/70/46/93/533704693.db2.gz SRVQCRJWVCGBKZ-MRXNPFEDSA-N 1 2 349.434 3.086 20 30 EGEDLO CC(C)c1cnc(C[NH+]2CCN(c3ccccc3C#N)CC2)s1 ZINC000182978441 323586876 /nfs/dbraw/zinc/58/68/76/323586876.db2.gz BEFGFGNSQLMSDT-UHFFFAOYSA-N 1 2 326.469 3.460 20 30 EGEDLO C=CCn1c(SCc2[nH+]ccn2C)nnc1-c1ccccc1C ZINC000158112947 455270296 /nfs/dbraw/zinc/27/02/96/455270296.db2.gz ZRKCYKCRCVHOIS-UHFFFAOYSA-N 1 2 325.441 3.465 20 30 EGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccco2)cc1 ZINC000009961490 453268330 /nfs/dbraw/zinc/26/83/30/453268330.db2.gz MTRJEQOBONPPRS-UHFFFAOYSA-N 1 2 341.411 3.057 20 30 EGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccco2)cc1 ZINC000009961490 453268340 /nfs/dbraw/zinc/26/83/40/453268340.db2.gz MTRJEQOBONPPRS-UHFFFAOYSA-N 1 2 341.411 3.057 20 30 EGEDLO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2sccc2C#N)c1 ZINC000010226577 453282164 /nfs/dbraw/zinc/28/21/64/453282164.db2.gz UGLXRYYRQVZHPJ-MRXNPFEDSA-N 1 2 341.436 3.404 20 30 EGEDLO COc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2sccc2C#N)c1 ZINC000010226577 453282170 /nfs/dbraw/zinc/28/21/70/453282170.db2.gz UGLXRYYRQVZHPJ-MRXNPFEDSA-N 1 2 341.436 3.404 20 30 EGEDLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@](C)(C#N)C3)cn2c1 ZINC000612371219 460609072 /nfs/dbraw/zinc/60/90/72/460609072.db2.gz ZIGOQTWTSNFBIP-GOSISDBHSA-N 1 2 342.468 3.028 20 30 EGEDLO CCCc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000023387436 453710181 /nfs/dbraw/zinc/71/01/81/453710181.db2.gz SDLJDDXDOFJMPP-MRXNPFEDSA-N 1 2 335.407 3.300 20 30 EGEDLO C[N@H+](Cc1ccc(F)cc1F)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000025067824 453757428 /nfs/dbraw/zinc/75/74/28/453757428.db2.gz LLXPFVOVXZHQRP-SFHVURJKSA-N 1 2 341.361 3.074 20 30 EGEDLO C[N@@H+](Cc1ccc(F)cc1F)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000025067824 453757429 /nfs/dbraw/zinc/75/74/29/453757429.db2.gz LLXPFVOVXZHQRP-SFHVURJKSA-N 1 2 341.361 3.074 20 30 EGEDLO Cc1ccc([C@H]2COCC[N@H+]2Cc2ccc(O[C@H](C)C#N)cc2)o1 ZINC000245734547 455368037 /nfs/dbraw/zinc/36/80/37/455368037.db2.gz KLZQSHCKOPVMND-CRAIPNDOSA-N 1 2 326.396 3.452 20 30 EGEDLO Cc1ccc([C@H]2COCC[N@@H+]2Cc2ccc(O[C@H](C)C#N)cc2)o1 ZINC000245734547 455368040 /nfs/dbraw/zinc/36/80/40/455368040.db2.gz KLZQSHCKOPVMND-CRAIPNDOSA-N 1 2 326.396 3.452 20 30 EGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000029225107 453827417 /nfs/dbraw/zinc/82/74/17/453827417.db2.gz OQUNRHNDODFYJW-UHFFFAOYSA-N 1 2 342.830 3.399 20 30 EGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000029225124 453827485 /nfs/dbraw/zinc/82/74/85/453827485.db2.gz ADPZIEBKCWDFDJ-UHFFFAOYSA-N 1 2 342.830 3.399 20 30 EGEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(F)cc3Cl)CC2)c1 ZINC000029444908 453828938 /nfs/dbraw/zinc/82/89/38/453828938.db2.gz ZXPSEKWKKAQWRQ-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO N#Cc1cc([N+](=O)[O-])ccc1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000030587532 453836869 /nfs/dbraw/zinc/83/68/69/453836869.db2.gz HEXRKFQDWNPOSO-UHFFFAOYSA-N 1 2 333.351 3.323 20 30 EGEDLO Cc1c[nH+]ccc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000066638830 453858732 /nfs/dbraw/zinc/85/87/32/453858732.db2.gz PKGGAYCFYADBCG-UHFFFAOYSA-N 1 2 336.395 3.056 20 30 EGEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000081512566 453879979 /nfs/dbraw/zinc/87/99/79/453879979.db2.gz DEQWIRTWANWXAJ-KRWDZBQOSA-N 1 2 346.477 3.231 20 30 EGEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000081512566 453879981 /nfs/dbraw/zinc/87/99/81/453879981.db2.gz DEQWIRTWANWXAJ-KRWDZBQOSA-N 1 2 346.477 3.231 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000190794496 455383244 /nfs/dbraw/zinc/38/32/44/455383244.db2.gz AJIFJZXLGAWBNC-UYAOXDASSA-N 1 2 330.472 3.087 20 30 EGEDLO CC(C)[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccn1 ZINC000075642850 453913957 /nfs/dbraw/zinc/91/39/57/453913957.db2.gz PXAXWPREXDOFIC-UHFFFAOYSA-N 1 2 333.395 3.414 20 30 EGEDLO CC(C)[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccn1 ZINC000075642850 453913961 /nfs/dbraw/zinc/91/39/61/453913961.db2.gz PXAXWPREXDOFIC-UHFFFAOYSA-N 1 2 333.395 3.414 20 30 EGEDLO N#Cc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000067657879 453953955 /nfs/dbraw/zinc/95/39/55/453953955.db2.gz MVGLHJXHALMDHM-GOSISDBHSA-N 1 2 337.448 3.287 20 30 EGEDLO C=CC[C@@H](C)NC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000083654072 453955023 /nfs/dbraw/zinc/95/50/23/453955023.db2.gz CUMWZXDGEIETFX-MRXNPFEDSA-N 1 2 326.444 3.280 20 30 EGEDLO Cc1ccc2[nH+]c(CSCC(=O)Nc3cccc(C#N)c3)cn2c1 ZINC000042403348 454009940 /nfs/dbraw/zinc/00/99/40/454009940.db2.gz ZMNABUWQTBEOHE-UHFFFAOYSA-N 1 2 336.420 3.386 20 30 EGEDLO Cn1c2cc(F)ccc2[nH+]c1CCNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000077209616 454075537 /nfs/dbraw/zinc/07/55/37/454075537.db2.gz ZNPAOPRMNUSPLP-UHFFFAOYSA-N 1 2 339.330 3.147 20 30 EGEDLO O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc2[nH+]ccn2c1 ZINC000057828030 454149421 /nfs/dbraw/zinc/14/94/21/454149421.db2.gz GYCTZJLLLQIGBS-UHFFFAOYSA-N 1 2 338.370 3.381 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(C#N)CC1 ZINC000057880642 454154799 /nfs/dbraw/zinc/15/47/99/454154799.db2.gz ULVJYIOIXQTBAH-NSHDSACASA-N 1 2 325.334 3.268 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000119439149 454195661 /nfs/dbraw/zinc/19/56/61/454195661.db2.gz DFTCVEZDURPFNM-KRWDZBQOSA-N 1 2 347.503 3.143 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCOC2(C1)CCCCCC2 ZINC000119439149 454195665 /nfs/dbraw/zinc/19/56/65/454195665.db2.gz DFTCVEZDURPFNM-KRWDZBQOSA-N 1 2 347.503 3.143 20 30 EGEDLO CC1CCN(c2ccc(CNC(=O)c3ccc(C#N)cc3)c[nH+]2)CC1 ZINC000059117741 454252947 /nfs/dbraw/zinc/25/29/47/454252947.db2.gz FNZLILGMWWMWQL-UHFFFAOYSA-N 1 2 334.423 3.120 20 30 EGEDLO N#Cc1ccc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c(Br)c1 ZINC000120157629 454265499 /nfs/dbraw/zinc/26/54/99/454265499.db2.gz KKJNWTSSVOEGPK-AWEZNQCLSA-N 1 2 344.212 3.373 20 30 EGEDLO N#CCCN(Cc1ccco1)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000096258895 454313035 /nfs/dbraw/zinc/31/30/35/454313035.db2.gz YLUQQYYLQDCYJH-TWGQIWQCSA-N 1 2 346.390 3.421 20 30 EGEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OC/C=C\c3ccccc3)cn2)n1 ZINC000096298118 454316976 /nfs/dbraw/zinc/31/69/76/454316976.db2.gz AIGDMTGQYLRLOP-TWGQIWQCSA-N 1 2 347.422 3.234 20 30 EGEDLO C#CCOc1cc(F)ccc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000133014682 454385142 /nfs/dbraw/zinc/38/51/42/454385142.db2.gz PXGFPUYKDHCLFY-UHFFFAOYSA-N 1 2 325.387 3.445 20 30 EGEDLO C=C(C)C[N@H+](CC)CCS(=O)(=O)c1cccc(Br)c1 ZINC000079384866 454405692 /nfs/dbraw/zinc/40/56/92/454405692.db2.gz AYCDOKOXYDVFMH-UHFFFAOYSA-N 1 2 346.290 3.121 20 30 EGEDLO C=C(C)C[N@@H+](CC)CCS(=O)(=O)c1cccc(Br)c1 ZINC000079384866 454405694 /nfs/dbraw/zinc/40/56/94/454405694.db2.gz AYCDOKOXYDVFMH-UHFFFAOYSA-N 1 2 346.290 3.121 20 30 EGEDLO COc1cc(C#N)ccc1C[N@H+](C)Cc1cc(Br)cn1C ZINC000121211150 454406146 /nfs/dbraw/zinc/40/61/46/454406146.db2.gz CQXOSXSZHXHTEG-UHFFFAOYSA-N 1 2 348.244 3.300 20 30 EGEDLO COc1cc(C#N)ccc1C[N@@H+](C)Cc1cc(Br)cn1C ZINC000121211150 454406150 /nfs/dbraw/zinc/40/61/50/454406150.db2.gz CQXOSXSZHXHTEG-UHFFFAOYSA-N 1 2 348.244 3.300 20 30 EGEDLO Cc1ccc(S(=O)(=O)CCC[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000091517284 454443902 /nfs/dbraw/zinc/44/39/02/454443902.db2.gz LINDIFCFRXGBLN-UHFFFAOYSA-N 1 2 342.464 3.163 20 30 EGEDLO Cc1ccc(S(=O)(=O)CCC[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000091517284 454443905 /nfs/dbraw/zinc/44/39/05/454443905.db2.gz LINDIFCFRXGBLN-UHFFFAOYSA-N 1 2 342.464 3.163 20 30 EGEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000079594113 454446934 /nfs/dbraw/zinc/44/69/34/454446934.db2.gz ZIVSEHNZNDZSES-CQSZACIVSA-N 1 2 346.390 3.365 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000073614319 454458003 /nfs/dbraw/zinc/45/80/03/454458003.db2.gz NXCVMUYIMFIZEW-NRFANRHFSA-N 1 2 335.451 3.094 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000073614319 454458008 /nfs/dbraw/zinc/45/80/08/454458008.db2.gz NXCVMUYIMFIZEW-NRFANRHFSA-N 1 2 335.451 3.094 20 30 EGEDLO N#CCSc1cccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000079804405 454480788 /nfs/dbraw/zinc/48/07/88/454480788.db2.gz YRVLIGRXVVUEHY-CQSZACIVSA-N 1 2 326.425 3.045 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CCOC3(CCOCC3)C2)cc1Cl ZINC000091894661 454485874 /nfs/dbraw/zinc/48/58/74/454485874.db2.gz LPJHQBCRHWMOMY-UHFFFAOYSA-N 1 2 337.847 3.286 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CCOC3(CCOCC3)C2)cc1Cl ZINC000091894661 454485878 /nfs/dbraw/zinc/48/58/78/454485878.db2.gz LPJHQBCRHWMOMY-UHFFFAOYSA-N 1 2 337.847 3.286 20 30 EGEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000103967205 454571681 /nfs/dbraw/zinc/57/16/81/454571681.db2.gz IZXNKUNJQYAEAQ-CYBMUJFWSA-N 1 2 332.363 3.354 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000065575277 454595175 /nfs/dbraw/zinc/59/51/75/454595175.db2.gz NWPGKYIATPSFIS-UHFFFAOYSA-N 1 2 339.420 3.053 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000065575277 454595177 /nfs/dbraw/zinc/59/51/77/454595177.db2.gz NWPGKYIATPSFIS-UHFFFAOYSA-N 1 2 339.420 3.053 20 30 EGEDLO Cc1nc(CC(N)=[NH+]OCc2cccc(OC(F)F)c2)cs1 ZINC000050957224 454602522 /nfs/dbraw/zinc/60/25/22/454602522.db2.gz TZFKHBXXMGAVIG-UHFFFAOYSA-N 1 2 327.356 3.084 20 30 EGEDLO C[C@H](c1cc(F)ccc1F)[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000052074690 454653640 /nfs/dbraw/zinc/65/36/40/454653640.db2.gz IJRZFXIQPSGTCQ-CYBMUJFWSA-N 1 2 335.398 3.300 20 30 EGEDLO C[C@H](c1cc(F)ccc1F)[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000052074690 454653642 /nfs/dbraw/zinc/65/36/42/454653642.db2.gz IJRZFXIQPSGTCQ-CYBMUJFWSA-N 1 2 335.398 3.300 20 30 EGEDLO C=C[C@H](C)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000136786320 454756245 /nfs/dbraw/zinc/75/62/45/454756245.db2.gz KROHIULVXDEAMK-SWLSCSKDSA-N 1 2 337.261 3.277 20 30 EGEDLO C=CCCCCCN(C)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000162427989 454774949 /nfs/dbraw/zinc/77/49/49/454774949.db2.gz GUHJWQOJGHZEQE-UHFFFAOYSA-N 1 2 346.475 3.437 20 30 EGEDLO C=CC[N@H+](CC(=O)NCC1CCCCC1)Cc1ccc(OC)cc1 ZINC000108239309 454790128 /nfs/dbraw/zinc/79/01/28/454790128.db2.gz JAQQPFKEJWWWEM-UHFFFAOYSA-N 1 2 330.472 3.380 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCC1CCCCC1)Cc1ccc(OC)cc1 ZINC000108239309 454790133 /nfs/dbraw/zinc/79/01/33/454790133.db2.gz JAQQPFKEJWWWEM-UHFFFAOYSA-N 1 2 330.472 3.380 20 30 EGEDLO CCOc1ccc(O)c(/C=[NH+]/CCc2cccc(C(=O)N(C)C)c2)c1 ZINC000125170434 454802374 /nfs/dbraw/zinc/80/23/74/454802374.db2.gz UEWJDMOYFGTIGG-KGENOOAVSA-N 1 2 340.423 3.154 20 30 EGEDLO COCCN(C)c1ccc(/C=C2/CCOc3ccccc3C2=O)c[nH+]1 ZINC000191296697 455475023 /nfs/dbraw/zinc/47/50/23/455475023.db2.gz ZCPPVPZQAOTZMW-SSZFMOIBSA-N 1 2 338.407 3.213 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000111276209 454860663 /nfs/dbraw/zinc/86/06/63/454860663.db2.gz AJJHTAZGFFZGSX-JYJNAYRXSA-N 1 2 336.501 3.151 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000111276209 454860668 /nfs/dbraw/zinc/86/06/68/454860668.db2.gz AJJHTAZGFFZGSX-JYJNAYRXSA-N 1 2 336.501 3.151 20 30 EGEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1ncc(-c2ccccc2F)o1 ZINC000154610016 454912067 /nfs/dbraw/zinc/91/20/67/454912067.db2.gz IVLMPUCCOHNGAE-GFCCVEGCSA-N 1 2 335.379 3.331 20 30 EGEDLO N#CC1CC[NH+]([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC000113252570 454919347 /nfs/dbraw/zinc/91/93/47/454919347.db2.gz YCOHOMMPNSHIRQ-OAHLLOKOSA-N 1 2 337.345 3.046 20 30 EGEDLO N#Cc1cc(F)ccc1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000177929586 454920831 /nfs/dbraw/zinc/92/08/31/454920831.db2.gz FVKVGMXSHHNLLA-UHFFFAOYSA-N 1 2 327.363 3.106 20 30 EGEDLO C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(N2CCCC2)[nH+]c1 ZINC000127104718 454938495 /nfs/dbraw/zinc/93/84/95/454938495.db2.gz FKZQNZFQLIUQAI-IBGZPJMESA-N 1 2 334.423 3.434 20 30 EGEDLO CC(C)(C#N)c1ccccc1C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000178511695 454958563 /nfs/dbraw/zinc/95/85/63/454958563.db2.gz IDPFGHIWRTYEGN-UHFFFAOYSA-N 1 2 325.378 3.168 20 30 EGEDLO Cc1nc(CN2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)cs1 ZINC000178671119 454967202 /nfs/dbraw/zinc/96/72/02/454967202.db2.gz KZLQDJOKKURXSL-UHFFFAOYSA-N 1 2 345.899 3.274 20 30 EGEDLO C[N@H+](Cc1ccc(C(F)(F)F)cc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115531515 455019753 /nfs/dbraw/zinc/01/97/53/455019753.db2.gz GOTDAOYBSRXENR-MRXNPFEDSA-N 1 2 347.340 3.235 20 30 EGEDLO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115531515 455019756 /nfs/dbraw/zinc/01/97/56/455019756.db2.gz GOTDAOYBSRXENR-MRXNPFEDSA-N 1 2 347.340 3.235 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@H](C#N)c1ccccc1Cl ZINC000172029694 455110674 /nfs/dbraw/zinc/11/06/74/455110674.db2.gz AFOHYHSPKJQCPB-MRXNPFEDSA-N 1 2 338.798 3.379 20 30 EGEDLO Cc1ccc2[nH+]cc(CN3CCN([C@@H](C#N)c4ccccc4)CC3)n2c1 ZINC000156487851 455124487 /nfs/dbraw/zinc/12/44/87/455124487.db2.gz NZNYYJJKWLRLRF-FQEVSTJZSA-N 1 2 345.450 3.025 20 30 EGEDLO Cn1cc(Br)cc1C[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000156901290 455156139 /nfs/dbraw/zinc/15/61/39/455156139.db2.gz INDVRUCRIKWIRV-UHFFFAOYSA-N 1 2 335.220 3.410 20 30 EGEDLO Cn1cc(Br)cc1C[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000156901290 455156140 /nfs/dbraw/zinc/15/61/40/455156140.db2.gz INDVRUCRIKWIRV-UHFFFAOYSA-N 1 2 335.220 3.410 20 30 EGEDLO N#CCCCOc1ccc[nH+]c1NCc1cccc2c1OCCO2 ZINC000184288999 455368609 /nfs/dbraw/zinc/36/86/09/455368609.db2.gz MBDPKTOHGDJIKZ-UHFFFAOYSA-N 1 2 325.368 3.147 20 30 EGEDLO COC[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)c1ccco1 ZINC000184630978 455416740 /nfs/dbraw/zinc/41/67/40/455416740.db2.gz SVXOCSKXMIHXJU-CQSZACIVSA-N 1 2 335.201 3.391 20 30 EGEDLO COc1cccc(N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)c1 ZINC000160523323 455470060 /nfs/dbraw/zinc/47/00/60/455470060.db2.gz LIZPLNOERLSEHH-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3cc(F)ccc3F)CC2)cc1F ZINC000192061739 455551108 /nfs/dbraw/zinc/55/11/08/455551108.db2.gz UTZSHHKMJAUPBH-UHFFFAOYSA-N 1 2 331.341 3.298 20 30 EGEDLO CC(C)c1cccc(C(C)C)c1NC(=O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000283969387 455618160 /nfs/dbraw/zinc/61/81/60/455618160.db2.gz GIIKCIFIWWAFGW-MRXNPFEDSA-N 1 2 347.459 3.340 20 30 EGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)Cc1ccc(F)c(C#N)c1 ZINC000268221074 455623085 /nfs/dbraw/zinc/62/30/85/455623085.db2.gz MEKWFDCCYLIXGQ-UHFFFAOYSA-N 1 2 326.297 3.088 20 30 EGEDLO CCN(C(=O)Cc1cn2ccccc2[nH+]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000192465947 455623712 /nfs/dbraw/zinc/62/37/12/455623712.db2.gz ZSFOTWDSFGSECK-HNNXBMFYSA-N 1 2 332.407 3.358 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000292306031 455625047 /nfs/dbraw/zinc/62/50/47/455625047.db2.gz QGZROLODPCTZHX-GOSISDBHSA-N 1 2 330.472 3.087 20 30 EGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)Cc1cc(F)ccc1C#N ZINC000268326104 455652084 /nfs/dbraw/zinc/65/20/84/455652084.db2.gz VTZTZAYURPNKPQ-UHFFFAOYSA-N 1 2 326.297 3.088 20 30 EGEDLO C=CCN(C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F)C1CC1 ZINC000271482273 455654146 /nfs/dbraw/zinc/65/41/46/455654146.db2.gz SQXHURFDIXKONG-INIZCTEOSA-N 1 2 328.391 3.009 20 30 EGEDLO CC#CCCCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000186109315 455695057 /nfs/dbraw/zinc/69/50/57/455695057.db2.gz MGOHWSBHJZMMDQ-MJGOQNOKSA-N 1 2 348.874 3.022 20 30 EGEDLO CC#CCCCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000186109315 455695064 /nfs/dbraw/zinc/69/50/64/455695064.db2.gz MGOHWSBHJZMMDQ-MJGOQNOKSA-N 1 2 348.874 3.022 20 30 EGEDLO C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000248356516 455706545 /nfs/dbraw/zinc/70/65/45/455706545.db2.gz OKPYGSSXLCLZCE-DNVCBOLYSA-N 1 2 340.448 3.025 20 30 EGEDLO C[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000248356516 455706549 /nfs/dbraw/zinc/70/65/49/455706549.db2.gz OKPYGSSXLCLZCE-DNVCBOLYSA-N 1 2 340.448 3.025 20 30 EGEDLO CC[N@@H+](CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2)C[C@H](C)C#N ZINC000249920428 455782227 /nfs/dbraw/zinc/78/22/27/455782227.db2.gz APGIQOOUGCZHGL-HZPDHXFCSA-N 1 2 327.472 3.224 20 30 EGEDLO CC[N@H+](CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2)C[C@H](C)C#N ZINC000249920428 455782231 /nfs/dbraw/zinc/78/22/31/455782231.db2.gz APGIQOOUGCZHGL-HZPDHXFCSA-N 1 2 327.472 3.224 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000294160846 455806774 /nfs/dbraw/zinc/80/67/74/455806774.db2.gz BUARNWFQTNDVNA-ZDUSSCGKSA-N 1 2 333.819 3.123 20 30 EGEDLO C#C[C@@H](NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000294207266 455808621 /nfs/dbraw/zinc/80/86/21/455808621.db2.gz LWLUMJCDCRZVTJ-SOLBZPMBSA-N 1 2 343.471 3.075 20 30 EGEDLO C#C[C@@H](NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000294207266 455808626 /nfs/dbraw/zinc/80/86/26/455808626.db2.gz LWLUMJCDCRZVTJ-SOLBZPMBSA-N 1 2 343.471 3.075 20 30 EGEDLO N#C[C@@]1(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC12CCCC2 ZINC000294346218 455813017 /nfs/dbraw/zinc/81/30/17/455813017.db2.gz HXPRUCUFSPXVMS-HXUWFJFHSA-N 1 2 334.423 3.022 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000253356552 455834010 /nfs/dbraw/zinc/83/40/10/455834010.db2.gz VGNUIUBMGLCLLZ-AOIWGVFYSA-N 1 2 328.456 3.038 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000253356552 455834012 /nfs/dbraw/zinc/83/40/12/455834012.db2.gz VGNUIUBMGLCLLZ-AOIWGVFYSA-N 1 2 328.456 3.038 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2ccccc2C)CC1 ZINC000269635701 455851418 /nfs/dbraw/zinc/85/14/18/455851418.db2.gz QULASHPAJAJPIQ-UHFFFAOYSA-N 1 2 337.261 3.098 20 30 EGEDLO C[C@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC(C)(C)O1 ZINC000194512256 455853239 /nfs/dbraw/zinc/85/32/39/455853239.db2.gz YUSVAJXIVYPXDJ-AWEZNQCLSA-N 1 2 349.862 3.086 20 30 EGEDLO C[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC(C)(C)O1 ZINC000194512256 455853241 /nfs/dbraw/zinc/85/32/41/455853241.db2.gz YUSVAJXIVYPXDJ-AWEZNQCLSA-N 1 2 349.862 3.086 20 30 EGEDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1ccc(C#N)s1 ZINC000279323303 455862496 /nfs/dbraw/zinc/86/24/96/455862496.db2.gz CIWZTISBFGAGOR-IRXDYDNUSA-N 1 2 326.421 3.498 20 30 EGEDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1ccc(C#N)s1 ZINC000279323303 455862498 /nfs/dbraw/zinc/86/24/98/455862498.db2.gz CIWZTISBFGAGOR-IRXDYDNUSA-N 1 2 326.421 3.498 20 30 EGEDLO N#C[C@]1(C(=O)NCCNc2ccc3ccccc3[nH+]2)CC12CCCC2 ZINC000295923840 455863663 /nfs/dbraw/zinc/86/36/63/455863663.db2.gz RYQDDAQIHIJDMG-FQEVSTJZSA-N 1 2 334.423 3.237 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1)OCC ZINC000270069708 455870785 /nfs/dbraw/zinc/87/07/85/455870785.db2.gz XCCCAZAVKVUXPM-SJLPKXTDSA-N 1 2 345.418 3.136 20 30 EGEDLO CC(=O)c1ccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000194964992 455906981 /nfs/dbraw/zinc/90/69/81/455906981.db2.gz BNXYDPUIBDYFEZ-UHFFFAOYSA-N 1 2 347.418 3.364 20 30 EGEDLO CC(=O)c1ccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000194964992 455906985 /nfs/dbraw/zinc/90/69/85/455906985.db2.gz BNXYDPUIBDYFEZ-UHFFFAOYSA-N 1 2 347.418 3.364 20 30 EGEDLO C#CC[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1 ZINC000270224595 455907145 /nfs/dbraw/zinc/90/71/45/455907145.db2.gz PZPUEKWYLREDTE-LJQANCHMSA-N 1 2 348.450 3.246 20 30 EGEDLO CC(=O)c1ccc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000296457995 455944572 /nfs/dbraw/zinc/94/45/72/455944572.db2.gz JDDDHKOILYQFNV-UHFFFAOYSA-N 1 2 333.435 3.079 20 30 EGEDLO CC(=O)c1ccc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000296457995 455944576 /nfs/dbraw/zinc/94/45/76/455944576.db2.gz JDDDHKOILYQFNV-UHFFFAOYSA-N 1 2 333.435 3.079 20 30 EGEDLO C#CCCCCNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000296503025 455957209 /nfs/dbraw/zinc/95/72/09/455957209.db2.gz QDPZDHYSCGBVIH-UHFFFAOYSA-N 1 2 330.819 3.128 20 30 EGEDLO C=CCOc1ccc(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000287893084 456081923 /nfs/dbraw/zinc/08/19/23/456081923.db2.gz HAEBBFWWIABVGK-MRXNPFEDSA-N 1 2 340.427 3.064 20 30 EGEDLO C=C(Br)C[NH2+][C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000273424163 456230799 /nfs/dbraw/zinc/23/07/99/456230799.db2.gz WADMTHRVKGLOFW-SNVBAGLBSA-N 1 2 338.205 3.304 20 30 EGEDLO Cn1c(Cl)cnc1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000281683530 456292953 /nfs/dbraw/zinc/29/29/53/456292953.db2.gz MKJAKJLWAGVIMA-UHFFFAOYSA-N 1 2 327.737 3.234 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)N(C1CC1)C1CCCC1)Cc1ccc(CO)o1 ZINC000352805518 456325687 /nfs/dbraw/zinc/32/56/87/456325687.db2.gz SLSAFBYCOZGXBW-UHFFFAOYSA-N 1 2 346.471 3.084 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)N(C1CC1)C1CCCC1)Cc1ccc(CO)o1 ZINC000352805518 456325691 /nfs/dbraw/zinc/32/56/91/456325691.db2.gz SLSAFBYCOZGXBW-UHFFFAOYSA-N 1 2 346.471 3.084 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+]2CCc3c(Br)cccc3[C@H]2C)C1=O ZINC000337167284 456331837 /nfs/dbraw/zinc/33/18/37/456331837.db2.gz AUBITMVDDZCQNB-MLGOLLRUSA-N 1 2 349.272 3.155 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+]2CCc3c(Br)cccc3[C@H]2C)C1=O ZINC000337167284 456331842 /nfs/dbraw/zinc/33/18/42/456331842.db2.gz AUBITMVDDZCQNB-MLGOLLRUSA-N 1 2 349.272 3.155 20 30 EGEDLO Cc1cc(F)cc2c1C[N@H+]([C@H](C)C(=O)NC1(C#N)CCCCC1)CC2 ZINC000337428580 456352442 /nfs/dbraw/zinc/35/24/42/456352442.db2.gz XVJVTLVVAIDROZ-OAHLLOKOSA-N 1 2 343.446 3.223 20 30 EGEDLO Cc1cc(F)cc2c1C[N@@H+]([C@H](C)C(=O)NC1(C#N)CCCCC1)CC2 ZINC000337428580 456352451 /nfs/dbraw/zinc/35/24/51/456352451.db2.gz XVJVTLVVAIDROZ-OAHLLOKOSA-N 1 2 343.446 3.223 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)Nc1ccc(C)cc1)Cc1ccc(CO)o1 ZINC000352889048 456392374 /nfs/dbraw/zinc/39/23/74/456392374.db2.gz WVKOKASPTAUINI-UHFFFAOYSA-N 1 2 328.412 3.097 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccc(C)cc1)Cc1ccc(CO)o1 ZINC000352889048 456392378 /nfs/dbraw/zinc/39/23/78/456392378.db2.gz WVKOKASPTAUINI-UHFFFAOYSA-N 1 2 328.412 3.097 20 30 EGEDLO CCc1ccc([C@@H]2COCC[N@@H+]2CCCC2(C#N)CCOCC2)o1 ZINC000282145837 456426065 /nfs/dbraw/zinc/42/60/65/456426065.db2.gz ZYIWFOSVMGPIJS-KRWDZBQOSA-N 1 2 332.444 3.316 20 30 EGEDLO CCc1ccc([C@@H]2COCC[N@H+]2CCCC2(C#N)CCOCC2)o1 ZINC000282145837 456426071 /nfs/dbraw/zinc/42/60/71/456426071.db2.gz ZYIWFOSVMGPIJS-KRWDZBQOSA-N 1 2 332.444 3.316 20 30 EGEDLO CC[C@@H](C#N)Oc1cc(CNc2nc[nH+]c(N)c2Cl)ccc1OC ZINC000302891211 456428420 /nfs/dbraw/zinc/42/84/20/456428420.db2.gz NSNMERWRAXSPDS-NSHDSACASA-N 1 2 347.806 3.014 20 30 EGEDLO CC[C@@H](C#N)Oc1cc(CNc2[nH+]cnc(N)c2Cl)ccc1OC ZINC000302891211 456428425 /nfs/dbraw/zinc/42/84/25/456428425.db2.gz NSNMERWRAXSPDS-NSHDSACASA-N 1 2 347.806 3.014 20 30 EGEDLO C=CCOc1ccccc1CNc1cc(N2CCSCC2)nc[nH+]1 ZINC000302904089 456431454 /nfs/dbraw/zinc/43/14/54/456431454.db2.gz RRIGSMWQXNDMSC-UHFFFAOYSA-N 1 2 342.468 3.207 20 30 EGEDLO C=CCOc1ccccc1CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000302904089 456431460 /nfs/dbraw/zinc/43/14/60/456431460.db2.gz RRIGSMWQXNDMSC-UHFFFAOYSA-N 1 2 342.468 3.207 20 30 EGEDLO COc1cc(C(N)=[NH+]OCCSC(C)C)cc(Cl)c1OC ZINC000282284600 456466844 /nfs/dbraw/zinc/46/68/44/456466844.db2.gz PYNOSKGQGOUNOA-UHFFFAOYSA-N 1 2 332.853 3.136 20 30 EGEDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000298719069 456524629 /nfs/dbraw/zinc/52/46/29/456524629.db2.gz NHVSBISATQUNJX-WMZOPIPTSA-N 1 2 343.471 3.049 20 30 EGEDLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000298719069 456524634 /nfs/dbraw/zinc/52/46/34/456524634.db2.gz NHVSBISATQUNJX-WMZOPIPTSA-N 1 2 343.471 3.049 20 30 EGEDLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc2n[nH]cc2c1 ZINC000353183232 456545807 /nfs/dbraw/zinc/54/58/07/456545807.db2.gz PIFKFPMMGUSKQL-GFCCVEGCSA-N 1 2 344.378 3.335 20 30 EGEDLO N#CC[C@H](CC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1 ZINC000343349119 456549696 /nfs/dbraw/zinc/54/96/96/456549696.db2.gz ZSUMVMLHMPBHPR-GOSISDBHSA-N 1 2 345.406 3.352 20 30 EGEDLO Cc1cc(Br)cn2cc(CNc3cnccc3C#N)[nH+]c12 ZINC000353278713 456606213 /nfs/dbraw/zinc/60/62/13/456606213.db2.gz XBMMGMPCABICTG-UHFFFAOYSA-N 1 2 342.200 3.284 20 30 EGEDLO CSc1ccccc1C[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000348324157 456623418 /nfs/dbraw/zinc/62/34/18/456623418.db2.gz QUWFHLFSNUEISF-UHFFFAOYSA-N 1 2 325.437 3.351 20 30 EGEDLO CSc1ccccc1C[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000348324157 456623423 /nfs/dbraw/zinc/62/34/23/456623423.db2.gz QUWFHLFSNUEISF-UHFFFAOYSA-N 1 2 325.437 3.351 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000299305682 456652807 /nfs/dbraw/zinc/65/28/07/456652807.db2.gz DHNKIMHUSPRLSJ-FZKQIMNGSA-N 1 2 344.484 3.344 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000299305682 456652817 /nfs/dbraw/zinc/65/28/17/456652817.db2.gz DHNKIMHUSPRLSJ-FZKQIMNGSA-N 1 2 344.484 3.344 20 30 EGEDLO Cc1ccnc(N2CC[NH+]([C@@H](C)c3ccc(F)cc3F)CC2)c1C#N ZINC000343513029 456672089 /nfs/dbraw/zinc/67/20/89/456672089.db2.gz PYCKSKZMWAYCPP-AWEZNQCLSA-N 1 2 342.393 3.423 20 30 EGEDLO N#CC1CC[NH+]([C@@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC000299390143 456677529 /nfs/dbraw/zinc/67/75/29/456677529.db2.gz GFICKEMMVCELOC-HXUWFJFHSA-N 1 2 333.435 3.280 20 30 EGEDLO Cc1ccnc(NCc2cn3cc(Br)ccc3[nH+]2)c1C#N ZINC000343539771 456693860 /nfs/dbraw/zinc/69/38/60/456693860.db2.gz WTKKDTJHBYQNIB-UHFFFAOYSA-N 1 2 342.200 3.284 20 30 EGEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@H]1CCOC2(CCCCC2)C1 ZINC000328619627 456720239 /nfs/dbraw/zinc/72/02/39/456720239.db2.gz WCKCOHUQXDQSFF-HOTGVXAUSA-N 1 2 346.475 3.146 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000338258739 456735766 /nfs/dbraw/zinc/73/57/66/456735766.db2.gz PNXBCCLKJBEYAF-GOSISDBHSA-N 1 2 339.826 3.307 20 30 EGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCc3c1cc(F)cc3F)CCC2 ZINC000328704066 456741042 /nfs/dbraw/zinc/74/10/42/456741042.db2.gz KKHYMCCERMINBR-GFCCVEGCSA-N 1 2 346.381 3.324 20 30 EGEDLO CC[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)C[C@@H](C)[S@@]1=O ZINC000348542845 456752144 /nfs/dbraw/zinc/75/21/44/456752144.db2.gz DWHOQEIUTYQTAA-YLEKAMJDSA-N 1 2 334.485 3.101 20 30 EGEDLO CC[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)C[C@@H](C)[S@@]1=O ZINC000348542845 456752149 /nfs/dbraw/zinc/75/21/49/456752149.db2.gz DWHOQEIUTYQTAA-YLEKAMJDSA-N 1 2 334.485 3.101 20 30 EGEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1coc(C2CCCC2)n1 ZINC000328829987 456771044 /nfs/dbraw/zinc/77/10/44/456771044.db2.gz UTSRPGZITOHSKA-CQSZACIVSA-N 1 2 326.400 3.311 20 30 EGEDLO C=C(C[NH2+]Cc1csc(N(C(C)=O)C2CC2)n1)c1ccccc1 ZINC000343805776 456775409 /nfs/dbraw/zinc/77/54/09/456775409.db2.gz IBLISIPVFNARMN-UHFFFAOYSA-N 1 2 327.453 3.461 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(C(=O)OC)c(CC)o1 ZINC000348653032 456802359 /nfs/dbraw/zinc/80/23/59/456802359.db2.gz WAKPKJFJSVRWMR-UHFFFAOYSA-N 1 2 347.411 3.292 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(C(=O)OC)c(CC)o1 ZINC000348653032 456802368 /nfs/dbraw/zinc/80/23/68/456802368.db2.gz WAKPKJFJSVRWMR-UHFFFAOYSA-N 1 2 347.411 3.292 20 30 EGEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1c(C(C)C)nc2sc(C)nn12 ZINC000329020214 456815046 /nfs/dbraw/zinc/81/50/46/456815046.db2.gz SHEVBWTYGXDYTN-LBPRGKRZSA-N 1 2 335.477 3.163 20 30 EGEDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1c(C(C)C)nc2sc(C)nn12 ZINC000329020214 456815051 /nfs/dbraw/zinc/81/50/51/456815051.db2.gz SHEVBWTYGXDYTN-LBPRGKRZSA-N 1 2 335.477 3.163 20 30 EGEDLO O=C(N[C@@H]1CCCOc2ccccc21)C1([NH+]2CCOCC2)CCC1 ZINC000329085702 456830787 /nfs/dbraw/zinc/83/07/87/456830787.db2.gz GLADQFIRMIMAIK-MRXNPFEDSA-N 1 2 330.428 3.112 20 30 EGEDLO CC1(C)CC[C@H](CNC(=O)N2CCn3cc[nH+]c3C2)c2ccccc21 ZINC000329127762 456839315 /nfs/dbraw/zinc/83/93/15/456839315.db2.gz ZFGPQKTYQSLIAM-OAHLLOKOSA-N 1 2 338.455 3.468 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CCCC(C)(C)C1)C1CCOCC1 ZINC000329196529 456852464 /nfs/dbraw/zinc/85/24/64/456852464.db2.gz TUIYXQSUKVZJFY-JKSUJKDBSA-N 1 2 348.491 3.360 20 30 EGEDLO CC[C@@H]1CCCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CC1 ZINC000329335746 456874588 /nfs/dbraw/zinc/87/45/88/456874588.db2.gz LJOIMLFBMAAPSN-WBVHZDCISA-N 1 2 348.491 3.314 20 30 EGEDLO CC[C@@H]1C[C@@H](C(=O)Nc2ccccc2C[NH+]2CCOCC2)CC(=O)N1 ZINC000329372388 456880183 /nfs/dbraw/zinc/88/01/83/456880183.db2.gz BBZCWWWEOPRREQ-HZPDHXFCSA-N 1 2 345.443 3.252 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)C2)[nH]1 ZINC000329413466 456886641 /nfs/dbraw/zinc/88/66/41/456886641.db2.gz CIAFQGDRBCEMTI-SJXGUFTOSA-N 1 2 333.480 3.074 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)C2)[nH]1 ZINC000329413466 456886644 /nfs/dbraw/zinc/88/66/44/456886644.db2.gz CIAFQGDRBCEMTI-SJXGUFTOSA-N 1 2 333.480 3.074 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)C2)n1 ZINC000329413466 456886646 /nfs/dbraw/zinc/88/66/46/456886646.db2.gz CIAFQGDRBCEMTI-SJXGUFTOSA-N 1 2 333.480 3.074 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)C2)n1 ZINC000329413466 456886649 /nfs/dbraw/zinc/88/66/49/456886649.db2.gz CIAFQGDRBCEMTI-SJXGUFTOSA-N 1 2 333.480 3.074 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)C2)n[nH]1 ZINC000329413466 456886651 /nfs/dbraw/zinc/88/66/51/456886651.db2.gz CIAFQGDRBCEMTI-SJXGUFTOSA-N 1 2 333.480 3.074 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)C2)n[nH]1 ZINC000329413466 456886653 /nfs/dbraw/zinc/88/66/53/456886653.db2.gz CIAFQGDRBCEMTI-SJXGUFTOSA-N 1 2 333.480 3.074 20 30 EGEDLO CC1CCN(c2ccc(CNc3nccc(C#N)c3Cl)c[nH+]2)CC1 ZINC000341721181 456914529 /nfs/dbraw/zinc/91/45/29/456914529.db2.gz JSOPWBGHDFUJCP-UHFFFAOYSA-N 1 2 341.846 3.272 20 30 EGEDLO O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329607838 456914718 /nfs/dbraw/zinc/91/47/18/456914718.db2.gz IMRRCENLXTXDSK-JZXOWHBKSA-N 1 2 325.412 3.322 20 30 EGEDLO CC[C@@H]1c2ccsc2CCN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329749936 456935845 /nfs/dbraw/zinc/93/58/45/456935845.db2.gz URJJVWDCRKTLCP-IAQYHMDHSA-N 1 2 330.457 3.252 20 30 EGEDLO CC[C@@H]1c2ccsc2CCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329749936 456935848 /nfs/dbraw/zinc/93/58/48/456935848.db2.gz URJJVWDCRKTLCP-IAQYHMDHSA-N 1 2 330.457 3.252 20 30 EGEDLO CC1(C)C[N@H+](CC(=O)Nc2nc3c(s2)CCC3)[C@H]1[C@@H]1CCCO1 ZINC000329808165 456943751 /nfs/dbraw/zinc/94/37/51/456943751.db2.gz BPLNMZYQWHIUSG-WFASDCNBSA-N 1 2 335.473 3.109 20 30 EGEDLO CC1(C)C[N@@H+](CC(=O)Nc2nc3c(s2)CCC3)[C@H]1[C@@H]1CCCO1 ZINC000329808165 456943754 /nfs/dbraw/zinc/94/37/54/456943754.db2.gz BPLNMZYQWHIUSG-WFASDCNBSA-N 1 2 335.473 3.109 20 30 EGEDLO C[N@@H+]1CCO[C@@H]([C@H](Nc2cccc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000345167265 456950157 /nfs/dbraw/zinc/95/01/57/456950157.db2.gz YDLVUUKQZLBJOV-SJLPKXTDSA-N 1 2 342.830 3.090 20 30 EGEDLO C[N@H+]1CCO[C@@H]([C@H](Nc2cccc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000345167265 456950161 /nfs/dbraw/zinc/95/01/61/456950161.db2.gz YDLVUUKQZLBJOV-SJLPKXTDSA-N 1 2 342.830 3.090 20 30 EGEDLO Cc1cccc(C)c1[C@H](C)NC([O-])=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329873915 456954618 /nfs/dbraw/zinc/95/46/18/456954618.db2.gz CMDDWRDPFCXTCZ-HOTGVXAUSA-N 1 2 326.444 3.327 20 30 EGEDLO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329915299 456960190 /nfs/dbraw/zinc/96/01/90/456960190.db2.gz PORYBCPIAKTITD-GPMSIDNRSA-N 1 2 336.476 3.102 20 30 EGEDLO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329915299 456960195 /nfs/dbraw/zinc/96/01/95/456960195.db2.gz PORYBCPIAKTITD-GPMSIDNRSA-N 1 2 336.476 3.102 20 30 EGEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](C#N)c1ccc(F)cc1)C2 ZINC000353917942 456964509 /nfs/dbraw/zinc/96/45/09/456964509.db2.gz XWKQTJHBOZMALL-SUMWQHHRSA-N 1 2 340.402 3.158 20 30 EGEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](C#N)c1ccc(F)cc1)CC2 ZINC000353917942 456964512 /nfs/dbraw/zinc/96/45/12/456964512.db2.gz XWKQTJHBOZMALL-SUMWQHHRSA-N 1 2 340.402 3.158 20 30 EGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NCC1C(C)(C)C1(C)C)C2 ZINC000330038131 456977839 /nfs/dbraw/zinc/97/78/39/456977839.db2.gz ZRHYDJTXKLNKRM-UHFFFAOYSA-N 1 2 332.492 3.498 20 30 EGEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C[C@]2(CCOC2)O1 ZINC000330083282 456982956 /nfs/dbraw/zinc/98/29/56/456982956.db2.gz QKEGDEGQIUTZSJ-NRUGXNMXSA-N 1 2 338.492 3.038 20 30 EGEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C[C@]2(CCOC2)O1 ZINC000330083282 456982958 /nfs/dbraw/zinc/98/29/58/456982958.db2.gz QKEGDEGQIUTZSJ-NRUGXNMXSA-N 1 2 338.492 3.038 20 30 EGEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1Cc2ccccc2C2(CC2)C1 ZINC000330097121 456984581 /nfs/dbraw/zinc/98/45/81/456984581.db2.gz YFLIIOILEVRXFM-UHFFFAOYSA-N 1 2 336.439 3.181 20 30 EGEDLO C[C@@H](C#N)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000345802416 456996595 /nfs/dbraw/zinc/99/65/95/456996595.db2.gz NGJKGIOQCQZHKJ-INIZCTEOSA-N 1 2 344.418 3.374 20 30 EGEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)NC[C@@H]1CCCCC(F)(F)C1 ZINC000330207746 457002944 /nfs/dbraw/zinc/00/29/44/457002944.db2.gz GFHPSLOCRIBCJN-KGLIPLIRSA-N 1 2 340.418 3.480 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@@H]2CCCCC(F)(F)C2)C1 ZINC000330210413 457004023 /nfs/dbraw/zinc/00/40/23/457004023.db2.gz IIQXNRQOUDHTJK-ZIAGYGMSSA-N 1 2 340.418 3.339 20 30 EGEDLO CC(C)c1nnc(NC(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)s1 ZINC000330256868 457014706 /nfs/dbraw/zinc/01/47/06/457014706.db2.gz QJIRZTJGEIYBJI-RNCFNFMXSA-N 1 2 330.404 3.227 20 30 EGEDLO CC(C)c1nnc(NC(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)s1 ZINC000330256868 457014709 /nfs/dbraw/zinc/01/47/09/457014709.db2.gz QJIRZTJGEIYBJI-RNCFNFMXSA-N 1 2 330.404 3.227 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCC[C@@H]1CCCCO1 ZINC000330279094 457019809 /nfs/dbraw/zinc/01/98/09/457019809.db2.gz QMXABPQUWGYMKT-HOTGVXAUSA-N 1 2 334.464 3.303 20 30 EGEDLO O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000330282345 457020584 /nfs/dbraw/zinc/02/05/84/457020584.db2.gz VHBLUPGBEYACIV-JFIYKMOQSA-N 1 2 325.412 3.180 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCCOC1CCCC1 ZINC000330313654 457024996 /nfs/dbraw/zinc/02/49/96/457024996.db2.gz XKWPUYZDYOGAID-INIZCTEOSA-N 1 2 334.464 3.303 20 30 EGEDLO Cn1c(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)nc2cc(Cl)ccc21 ZINC000330333956 457028832 /nfs/dbraw/zinc/02/88/32/457028832.db2.gz YMNZWINPDTVXMU-NSHDSACASA-N 1 2 343.818 3.142 20 30 EGEDLO C=CCOc1ccc(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000359064705 457049874 /nfs/dbraw/zinc/04/98/74/457049874.db2.gz WTMJVKAEOAKISB-UHFFFAOYSA-N 1 2 333.391 3.367 20 30 EGEDLO N#CCc1ccc(Oc2ccc(C(=O)NCc3c[nH+]c[nH]3)cc2)cc1 ZINC000359126026 457059874 /nfs/dbraw/zinc/05/98/74/457059874.db2.gz VWEFXHCKOPXMDT-UHFFFAOYSA-N 1 2 332.363 3.198 20 30 EGEDLO N#CCc1ccc(Oc2ccc(C(=O)NCc3c[nH]c[nH+]3)cc2)cc1 ZINC000359126026 457059878 /nfs/dbraw/zinc/05/98/78/457059878.db2.gz VWEFXHCKOPXMDT-UHFFFAOYSA-N 1 2 332.363 3.198 20 30 EGEDLO CC[C@](C)(O)CNC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000330769355 457083078 /nfs/dbraw/zinc/08/30/78/457083078.db2.gz AGBMYAMEYNLNHF-KSSFIOAISA-N 1 2 334.464 3.256 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C#N)s1)c1ccc(F)cc1 ZINC000362896674 457145496 /nfs/dbraw/zinc/14/54/96/457145496.db2.gz RDLYMENOOPRGDL-OAHLLOKOSA-N 1 2 340.383 3.012 20 30 EGEDLO C[C@@H]1CCC[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000356769648 457159756 /nfs/dbraw/zinc/15/97/56/457159756.db2.gz KJGYOUZQVSPSNS-VQIMIIECSA-N 1 2 325.456 3.029 20 30 EGEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(C[C@@H](CC#N)c3ccccc3)n2)C1 ZINC000346802347 457177477 /nfs/dbraw/zinc/17/74/77/457177477.db2.gz ZIEUAOXQWAQBFZ-SJORKVTESA-N 1 2 340.427 3.091 20 30 EGEDLO CC(C)[N@H+]1CCO[C@H](c2noc(C[C@@H](CC#N)c3ccccc3)n2)C1 ZINC000346802347 457177482 /nfs/dbraw/zinc/17/74/82/457177482.db2.gz ZIEUAOXQWAQBFZ-SJORKVTESA-N 1 2 340.427 3.091 20 30 EGEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000339757419 457251859 /nfs/dbraw/zinc/25/18/59/457251859.db2.gz RECNYRADOFTRDP-GFCCVEGCSA-N 1 2 331.416 3.231 20 30 EGEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000339757419 457251861 /nfs/dbraw/zinc/25/18/61/457251861.db2.gz RECNYRADOFTRDP-GFCCVEGCSA-N 1 2 331.416 3.231 20 30 EGEDLO C=CCOc1ccccc1CNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000347156734 457260690 /nfs/dbraw/zinc/26/06/90/457260690.db2.gz NVWJIVNEKGJUAB-UHFFFAOYSA-N 1 2 347.418 3.426 20 30 EGEDLO C=CCCC1(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)CC1 ZINC000354598442 457291213 /nfs/dbraw/zinc/29/12/13/457291213.db2.gz KKNVYYWPLYTUEK-HZPDHXFCSA-N 1 2 343.471 3.058 20 30 EGEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)CCCC#N)CC1 ZINC000360345530 457304552 /nfs/dbraw/zinc/30/45/52/457304552.db2.gz NYKZHJITRXIDRC-KRWDZBQOSA-N 1 2 335.398 3.254 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000351928747 457323292 /nfs/dbraw/zinc/32/32/92/457323292.db2.gz VNAPBPWDZCFOQX-HNNXBMFYSA-N 1 2 345.874 3.437 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000351928747 457323293 /nfs/dbraw/zinc/32/32/93/457323293.db2.gz VNAPBPWDZCFOQX-HNNXBMFYSA-N 1 2 345.874 3.437 20 30 EGEDLO Cc1nsc(N2CC[NH+]([C@@H](C)c3ccc(F)c(F)c3)CC2)c1C#N ZINC000352167628 457343545 /nfs/dbraw/zinc/34/35/45/457343545.db2.gz MWZKUSXSPRVMDM-LBPRGKRZSA-N 1 2 348.422 3.485 20 30 EGEDLO CCCCNc1cc(N2CC=C(c3ccc(C#N)cc3)CC2)nc(N)[nH+]1 ZINC000342533588 457353336 /nfs/dbraw/zinc/35/33/36/457353336.db2.gz CBRCGJMBDFTTCD-UHFFFAOYSA-N 1 2 348.454 3.267 20 30 EGEDLO CCCCNc1cc(N2CC=C(c3ccc(C#N)cc3)CC2)[nH+]c(N)n1 ZINC000342533588 457353341 /nfs/dbraw/zinc/35/33/41/457353341.db2.gz CBRCGJMBDFTTCD-UHFFFAOYSA-N 1 2 348.454 3.267 20 30 EGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CCC(F)(F)F ZINC000355431883 457373132 /nfs/dbraw/zinc/37/31/32/457373132.db2.gz CCHAONAFCALUPZ-ZDUSSCGKSA-N 1 2 327.350 3.206 20 30 EGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CCC(F)(F)F ZINC000355431883 457373134 /nfs/dbraw/zinc/37/31/34/457373134.db2.gz CCHAONAFCALUPZ-ZDUSSCGKSA-N 1 2 327.350 3.206 20 30 EGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CCC(F)(F)F ZINC000355446360 457374452 /nfs/dbraw/zinc/37/44/52/457374452.db2.gz YLRCJBOYAKVOSK-GFCCVEGCSA-N 1 2 345.340 3.345 20 30 EGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CCC(F)(F)F ZINC000355446360 457374460 /nfs/dbraw/zinc/37/44/60/457374460.db2.gz YLRCJBOYAKVOSK-GFCCVEGCSA-N 1 2 345.340 3.345 20 30 EGEDLO CC[C@H](NC(=O)C[NH+]1CCC(F)(C#N)CC1)c1ccc(Cl)cc1 ZINC000352448579 457376604 /nfs/dbraw/zinc/37/66/04/457376604.db2.gz IDAWBBUZFIRSRG-HNNXBMFYSA-N 1 2 337.826 3.235 20 30 EGEDLO C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)[NH+]1CCC(F)(C#N)CC1 ZINC000352458723 457385055 /nfs/dbraw/zinc/38/50/55/457385055.db2.gz OEDXUQPFPMCUHQ-CABCVRRESA-N 1 2 329.419 3.070 20 30 EGEDLO C=CCOc1cccc(C[N@H+]2CCOC[C@@H]2c2c(C)n[nH]c2C)c1 ZINC000378366625 457393528 /nfs/dbraw/zinc/39/35/28/457393528.db2.gz BILGDUDLMXSHCD-GOSISDBHSA-N 1 2 327.428 3.165 20 30 EGEDLO C=CCOc1cccc(C[N@@H+]2CCOC[C@@H]2c2c(C)n[nH]c2C)c1 ZINC000378366625 457393534 /nfs/dbraw/zinc/39/35/34/457393534.db2.gz BILGDUDLMXSHCD-GOSISDBHSA-N 1 2 327.428 3.165 20 30 EGEDLO C=CCOc1ccc(CNC(=O)c2ccc3[nH+]c(C)n(C)c3c2)cc1 ZINC000355706415 457404712 /nfs/dbraw/zinc/40/47/12/457404712.db2.gz QFVKRAWOHBZCCY-UHFFFAOYSA-N 1 2 335.407 3.377 20 30 EGEDLO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1)c1ccc(Cl)cc1 ZINC000352483258 457404861 /nfs/dbraw/zinc/40/48/61/457404861.db2.gz HWEBUVDZLKSHEB-STQMWFEESA-N 1 2 337.826 3.233 20 30 EGEDLO C=CCC(C)(C)CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000352496696 457415184 /nfs/dbraw/zinc/41/51/84/457415184.db2.gz YLADMAGWXKVMPB-QGZVFWFLSA-N 1 2 332.513 3.495 20 30 EGEDLO Cc1cccc2[nH+]c(CNC(=O)C[C@@H](CC#N)c3ccccc3)cn21 ZINC000355830124 457421399 /nfs/dbraw/zinc/42/13/99/457421399.db2.gz KLQSNTJHMPKOLT-QGZVFWFLSA-N 1 2 332.407 3.347 20 30 EGEDLO CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC000370415928 457643251 /nfs/dbraw/zinc/64/32/51/457643251.db2.gz PSPFQAUUJUQFEW-MAUKXSAKSA-N 1 2 343.446 3.166 20 30 EGEDLO CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC000370415928 457643258 /nfs/dbraw/zinc/64/32/58/457643258.db2.gz PSPFQAUUJUQFEW-MAUKXSAKSA-N 1 2 343.446 3.166 20 30 EGEDLO Cc1c(F)cccc1NC(=O)CC[N@H+](CCC#N)Cc1ccco1 ZINC000357930608 457732980 /nfs/dbraw/zinc/73/29/80/457732980.db2.gz OOHGUEIALOZVFW-UHFFFAOYSA-N 1 2 329.375 3.472 20 30 EGEDLO Cc1c(F)cccc1NC(=O)CC[N@@H+](CCC#N)Cc1ccco1 ZINC000357930608 457732985 /nfs/dbraw/zinc/73/29/85/457732985.db2.gz OOHGUEIALOZVFW-UHFFFAOYSA-N 1 2 329.375 3.472 20 30 EGEDLO C=C(Br)C[NH+]1CCC(O)(Cc2ccccc2F)CC1 ZINC000365854715 457779522 /nfs/dbraw/zinc/77/95/22/457779522.db2.gz FGSXLMYGJYRGCQ-UHFFFAOYSA-N 1 2 328.225 3.104 20 30 EGEDLO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+](C)CC(C)(C)C#N ZINC000433305713 457805373 /nfs/dbraw/zinc/80/53/73/457805373.db2.gz QRSWBXXKNITTMX-CYBMUJFWSA-N 1 2 344.484 3.125 20 30 EGEDLO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+](C)CC(C)(C)C#N ZINC000433305713 457805381 /nfs/dbraw/zinc/80/53/81/457805381.db2.gz QRSWBXXKNITTMX-CYBMUJFWSA-N 1 2 344.484 3.125 20 30 EGEDLO Cc1nnc(SCc2[nH+]ccn2CC(F)(F)F)c(C#N)c1C ZINC000358264717 457896901 /nfs/dbraw/zinc/89/69/01/457896901.db2.gz KOKVGFHUDLKVHZ-UHFFFAOYSA-N 1 2 327.335 3.016 20 30 EGEDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)Cc2ccccc21 ZINC000361862947 457915823 /nfs/dbraw/zinc/91/58/23/457915823.db2.gz RXPNXRQRQQRHFQ-GOSISDBHSA-N 1 2 338.382 3.360 20 30 EGEDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)Cc2ccccc21 ZINC000361862947 457915827 /nfs/dbraw/zinc/91/58/27/457915827.db2.gz RXPNXRQRQQRHFQ-GOSISDBHSA-N 1 2 338.382 3.360 20 30 EGEDLO COc1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1OC ZINC000371463243 457944534 /nfs/dbraw/zinc/94/45/34/457944534.db2.gz HQJGVGKVFPSRPS-FQEVSTJZSA-N 1 2 338.407 3.149 20 30 EGEDLO COc1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1OC ZINC000371463243 457944538 /nfs/dbraw/zinc/94/45/38/457944538.db2.gz HQJGVGKVFPSRPS-FQEVSTJZSA-N 1 2 338.407 3.149 20 30 EGEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000369148398 458100978 /nfs/dbraw/zinc/10/09/78/458100978.db2.gz STBRHBDNYBOWRN-UHFFFAOYSA-N 1 2 336.439 3.293 20 30 EGEDLO C=C(C)COc1cc(C[N@@H+]2CCN(CC)C(=O)[C@H]2CC)ccc1OC ZINC000428436202 458141803 /nfs/dbraw/zinc/14/18/03/458141803.db2.gz HTMMEOWHKHTEAD-QGZVFWFLSA-N 1 2 346.471 3.093 20 30 EGEDLO C=C(C)COc1cc(C[N@H+]2CCN(CC)C(=O)[C@H]2CC)ccc1OC ZINC000428436202 458141808 /nfs/dbraw/zinc/14/18/08/458141808.db2.gz HTMMEOWHKHTEAD-QGZVFWFLSA-N 1 2 346.471 3.093 20 30 EGEDLO Cc1cccnc1OC1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000428996592 458250358 /nfs/dbraw/zinc/25/03/58/458250358.db2.gz SBHMLGNAGQESJD-UHFFFAOYSA-N 1 2 325.387 3.444 20 30 EGEDLO C[N@H+](CCC#N)C[C@H](O)CSCc1ccc(C(F)(F)F)cc1 ZINC000414123102 458315440 /nfs/dbraw/zinc/31/54/40/458315440.db2.gz JENMXWIBTBVKPP-AWEZNQCLSA-N 1 2 332.391 3.145 20 30 EGEDLO C[N@@H+](CCC#N)C[C@H](O)CSCc1ccc(C(F)(F)F)cc1 ZINC000414123102 458315445 /nfs/dbraw/zinc/31/54/45/458315445.db2.gz JENMXWIBTBVKPP-AWEZNQCLSA-N 1 2 332.391 3.145 20 30 EGEDLO C#CCC1(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CCCCC1 ZINC000372693267 458320018 /nfs/dbraw/zinc/32/00/18/458320018.db2.gz VXDXBQOBRKNZST-KRWDZBQOSA-N 1 2 327.472 3.175 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447830485 458349578 /nfs/dbraw/zinc/34/95/78/458349578.db2.gz VHZDGJNVDGORFP-BLLLJJGKSA-N 1 2 349.862 3.286 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447830485 458349592 /nfs/dbraw/zinc/34/95/92/458349592.db2.gz VHZDGJNVDGORFP-BLLLJJGKSA-N 1 2 349.862 3.286 20 30 EGEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(c2ccc(Cl)cc2C#N)C1 ZINC000418940542 458377673 /nfs/dbraw/zinc/37/76/73/458377673.db2.gz GXISNVVUECOIHL-SFHVURJKSA-N 1 2 349.862 3.112 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000419638701 458390419 /nfs/dbraw/zinc/39/04/19/458390419.db2.gz KZNXPDHXRDGLMN-LJQANCHMSA-N 1 2 349.438 3.179 20 30 EGEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2ccnn2C2CCCC2)CC1 ZINC000448996632 458418366 /nfs/dbraw/zinc/41/83/66/458418366.db2.gz SSMAHBRSMFLSNF-OAQYLSRUSA-N 1 2 349.482 3.381 20 30 EGEDLO C=CCC[C@@H](NCc1c[nH+]c(C)n1-c1ccccc1)C(=O)OCC ZINC000449658869 458428351 /nfs/dbraw/zinc/42/83/51/458428351.db2.gz UWPWFLLFCROBPL-GOSISDBHSA-N 1 2 327.428 3.168 20 30 EGEDLO CC(C)(C)Oc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1C#N ZINC000452685144 458506610 /nfs/dbraw/zinc/50/66/10/458506610.db2.gz PUPIXJMUVMNQBL-CYBMUJFWSA-N 1 2 338.411 3.133 20 30 EGEDLO C=C(C)CCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000455313979 458593192 /nfs/dbraw/zinc/59/31/92/458593192.db2.gz RLXIUDUIRYQIPZ-HNNXBMFYSA-N 1 2 332.835 3.428 20 30 EGEDLO CS(=O)(=O)C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccccc1 ZINC000439439975 458701952 /nfs/dbraw/zinc/70/19/52/458701952.db2.gz OVAGVHDWLFHJHR-KRWDZBQOSA-N 1 2 348.855 3.087 20 30 EGEDLO COc1cc(C#N)ccc1NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000547416638 458735048 /nfs/dbraw/zinc/73/50/48/458735048.db2.gz KPCMTRMRPTXVDS-KRWDZBQOSA-N 1 2 343.814 3.462 20 30 EGEDLO Cn1c2ccccc2[nH+]c1CCn1cc(C#N)c(=O)c2ccccc21 ZINC000432525130 458751342 /nfs/dbraw/zinc/75/13/42/458751342.db2.gz GIDRWQUCLSEBPN-UHFFFAOYSA-N 1 2 328.375 3.003 20 30 EGEDLO C=CC[C@H](CC)NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000466366652 458896223 /nfs/dbraw/zinc/89/62/23/458896223.db2.gz KFJPALWTKOJPHT-BEBFYNPSSA-N 1 2 327.472 3.382 20 30 EGEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc(COC2CCCCC2)c1 ZINC000577275531 459009051 /nfs/dbraw/zinc/00/90/51/459009051.db2.gz CZHXTTBBNXAOSF-LJQANCHMSA-N 1 2 345.487 3.154 20 30 EGEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(COC2CCCCC2)c1 ZINC000577275531 459009053 /nfs/dbraw/zinc/00/90/53/459009053.db2.gz CZHXTTBBNXAOSF-LJQANCHMSA-N 1 2 345.487 3.154 20 30 EGEDLO CC#CC[N@H+](C)CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000557054215 459045816 /nfs/dbraw/zinc/04/58/16/459045816.db2.gz ZIXOHHPHHQIZKN-UHFFFAOYSA-N 1 2 334.463 3.280 20 30 EGEDLO CC#CC[N@@H+](C)CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000557054215 459045822 /nfs/dbraw/zinc/04/58/22/459045822.db2.gz ZIXOHHPHHQIZKN-UHFFFAOYSA-N 1 2 334.463 3.280 20 30 EGEDLO Cn1cc[nH+]c1NN=Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000496337736 459156354 /nfs/dbraw/zinc/15/63/54/459156354.db2.gz DSFLQZJQLUHYHW-UHFFFAOYSA-N 1 2 341.415 3.164 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCCOc1cccc(F)c1)Cc1cccs1 ZINC000559067426 459234919 /nfs/dbraw/zinc/23/49/19/459234919.db2.gz QWYRCONPXQBPNL-UHFFFAOYSA-N 1 2 348.443 3.070 20 30 EGEDLO C=CC[N@H+](CC(=O)NCCOc1cccc(F)c1)Cc1cccs1 ZINC000559067426 459234925 /nfs/dbraw/zinc/23/49/25/459234925.db2.gz QWYRCONPXQBPNL-UHFFFAOYSA-N 1 2 348.443 3.070 20 30 EGEDLO C=CCCCCCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000579022104 459242375 /nfs/dbraw/zinc/24/23/75/459242375.db2.gz PENKNPKWIJUBSE-UHFFFAOYSA-N 1 2 326.444 3.477 20 30 EGEDLO C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000580524890 459260104 /nfs/dbraw/zinc/26/01/04/459260104.db2.gz ZMMOECAIKZUYGR-CZUORRHYSA-N 1 2 328.391 3.426 20 30 EGEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000580723340 459263679 /nfs/dbraw/zinc/26/36/79/459263679.db2.gz WTBWXTWXGYNKGG-MNOVXSKESA-N 1 2 329.322 3.194 20 30 EGEDLO C=CCOC[C@H]([NH2+][C@@H]1CCC[C@@H]1c1ccccc1Cl)C(=O)OC ZINC000482439911 459308714 /nfs/dbraw/zinc/30/87/14/459308714.db2.gz PSLHUXWRQYMUKA-OIISXLGYSA-N 1 2 337.847 3.310 20 30 EGEDLO COCCOc1ccc(C#N)cc1N[C@H]1CCc2ccc[nH+]c2CC1 ZINC000582295176 459341810 /nfs/dbraw/zinc/34/18/10/459341810.db2.gz YOLFAJWVZHYISM-KRWDZBQOSA-N 1 2 337.423 3.338 20 30 EGEDLO N#CC1(C[NH2+]Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000582397089 459357213 /nfs/dbraw/zinc/35/72/13/459357213.db2.gz JBLWENDCAORIPH-UHFFFAOYSA-N 1 2 331.160 3.444 20 30 EGEDLO CC[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000582488412 459373895 /nfs/dbraw/zinc/37/38/95/459373895.db2.gz DUZYGZVTXRWPPC-GDBMZVCRSA-N 1 2 341.377 3.159 20 30 EGEDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)cc1F ZINC000595747181 459424724 /nfs/dbraw/zinc/42/47/24/459424724.db2.gz HKXDOGNGCVAXEM-APWZRJJASA-N 1 2 347.434 3.026 20 30 EGEDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)cc1F ZINC000595747181 459424729 /nfs/dbraw/zinc/42/47/29/459424729.db2.gz HKXDOGNGCVAXEM-APWZRJJASA-N 1 2 347.434 3.026 20 30 EGEDLO CCc1nnc(NCCc2cn3c(cccc3C)[nH+]2)c(C#N)c1CC ZINC000592007008 459510245 /nfs/dbraw/zinc/51/02/45/459510245.db2.gz VZDODVIYCJAZBN-UHFFFAOYSA-N 1 2 334.427 3.084 20 30 EGEDLO Cc1ccc2[nH+]c(CNC(=O)[C@H](C#N)CCc3ccccc3)cn2c1 ZINC000487976663 459537118 /nfs/dbraw/zinc/53/71/18/459537118.db2.gz ZOMTWQPFNKBFFV-KRWDZBQOSA-N 1 2 332.407 3.032 20 30 EGEDLO N#CC1(C[NH2+]Cc2cccc(Br)c2OC(F)F)CC1 ZINC000562392174 459552904 /nfs/dbraw/zinc/55/29/04/459552904.db2.gz SMRKPLUIEQOVRY-UHFFFAOYSA-N 1 2 331.160 3.444 20 30 EGEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000570675795 459559601 /nfs/dbraw/zinc/55/96/01/459559601.db2.gz UXXILKZDRKUPIT-AEFFLSMTSA-N 1 2 339.439 3.154 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)/C=C\c1cccc(C#N)c1)c1ccccc1 ZINC000490640362 459583024 /nfs/dbraw/zinc/58/30/24/459583024.db2.gz SOFZKWWGNYUELI-PISNEZEASA-N 1 2 342.402 3.211 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000490982379 459592287 /nfs/dbraw/zinc/59/22/87/459592287.db2.gz LRIMZUDGQXHDFG-UHFFFAOYSA-N 1 2 333.270 3.226 20 30 EGEDLO N#Cc1cnc2ccccc2c1NCc1ccc[nH+]c1N1CCCC1 ZINC000596357891 459606521 /nfs/dbraw/zinc/60/65/21/459606521.db2.gz SSWMPNXQZXQGHJ-UHFFFAOYSA-N 1 2 329.407 3.136 20 30 EGEDLO C#C[C@H](C)N(C)C(=O)c1cccc(OCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000491325980 459617291 /nfs/dbraw/zinc/61/72/91/459617291.db2.gz IWFIATYWJJRWMK-INIZCTEOSA-N 1 2 347.418 3.315 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)/C=C\c1cccc(C#N)c1)C2 ZINC000491400945 459622975 /nfs/dbraw/zinc/62/29/75/459622975.db2.gz LEFPIFDPKSPPJX-CGQZWFTASA-N 1 2 348.450 3.197 20 30 EGEDLO C=CCOc1ccc(/C=C\C(=O)Nc2c[nH+]ccc2OC)cc1OC ZINC000491417967 459625172 /nfs/dbraw/zinc/62/51/72/459625172.db2.gz OFJQRHARRZGSLV-VURMDHGXSA-N 1 2 340.379 3.316 20 30 EGEDLO N#CCCC1CCN(C(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000493101038 459733748 /nfs/dbraw/zinc/73/37/48/459733748.db2.gz XQXCZEWUSJQBBV-YVMONPNESA-N 1 2 334.423 3.428 20 30 EGEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3cccc(N4CCOC4=O)c3)n21 ZINC000493179058 459735755 /nfs/dbraw/zinc/73/57/55/459735755.db2.gz VRMUJOKINLIPKF-CMDGGOBGSA-N 1 2 347.374 3.495 20 30 EGEDLO N#CC1(CC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CCCCC1 ZINC000596775986 459759600 /nfs/dbraw/zinc/75/96/00/459759600.db2.gz XGJQWQCSWRVKOO-UHFFFAOYSA-N 1 2 336.439 3.412 20 30 EGEDLO CC[C@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)[C@H](C)CO1 ZINC000593064897 459762146 /nfs/dbraw/zinc/76/21/46/459762146.db2.gz WKXPXKIUKUFKRB-AEFFLSMTSA-N 1 2 343.471 3.049 20 30 EGEDLO CC[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)[C@H](C)CO1 ZINC000593064897 459762152 /nfs/dbraw/zinc/76/21/52/459762152.db2.gz WKXPXKIUKUFKRB-AEFFLSMTSA-N 1 2 343.471 3.049 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000564802008 459776595 /nfs/dbraw/zinc/77/65/95/459776595.db2.gz JEHWWVWAZJPYSK-IFXJQAMLSA-N 1 2 347.528 3.473 20 30 EGEDLO CN(Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000596927318 459797592 /nfs/dbraw/zinc/79/75/92/459797592.db2.gz IUDLRRYNXQCENB-UHFFFAOYSA-N 1 2 327.388 3.123 20 30 EGEDLO CN(Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000596927318 459797594 /nfs/dbraw/zinc/79/75/94/459797594.db2.gz IUDLRRYNXQCENB-UHFFFAOYSA-N 1 2 327.388 3.123 20 30 EGEDLO N#C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1cccc(Cl)c1Cl ZINC000597181593 459865016 /nfs/dbraw/zinc/86/50/16/459865016.db2.gz BVXRAOPMNUTHSC-YGRLFVJLSA-N 1 2 349.221 3.133 20 30 EGEDLO CCOc1cc(C[NH+]2CCN(c3ccsc3C#N)CC2)ccc1O ZINC000597184442 459867200 /nfs/dbraw/zinc/86/72/00/459867200.db2.gz WWBLUYVDMKVQOL-UHFFFAOYSA-N 1 2 343.452 3.046 20 30 EGEDLO C[C@](O)(C1CC[NH+](Cc2ccc(C#N)cc2F)CC1)C(F)(F)F ZINC000545932565 459874382 /nfs/dbraw/zinc/87/43/82/459874382.db2.gz OMXTWYVBYACPIP-HNNXBMFYSA-N 1 2 330.325 3.223 20 30 EGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cc3cnccc3o2)CC1 ZINC000593565512 459924206 /nfs/dbraw/zinc/92/42/06/459924206.db2.gz KSVOOFCEWIERCL-IBGZPJMESA-N 1 2 332.407 3.210 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CCCCCC#N)c1cccc(F)c1 ZINC000588273994 459940755 /nfs/dbraw/zinc/94/07/55/459940755.db2.gz MUEIQFCUXCOMFT-KRWDZBQOSA-N 1 2 328.391 3.239 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000575186030 459943250 /nfs/dbraw/zinc/94/32/50/459943250.db2.gz RLWCNLNBBNQCGX-IBGZPJMESA-N 1 2 339.464 3.087 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+]2CCCc3sccc3C2)c(C#N)c1C ZINC000609323503 459945387 /nfs/dbraw/zinc/94/53/87/459945387.db2.gz YSTTVSHNYWMSSK-UHFFFAOYSA-N 1 2 329.425 3.217 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+]2CCCc3sccc3C2)c(C#N)c1C ZINC000609323503 459945390 /nfs/dbraw/zinc/94/53/90/459945390.db2.gz YSTTVSHNYWMSSK-UHFFFAOYSA-N 1 2 329.425 3.217 20 30 EGEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000598609698 459963436 /nfs/dbraw/zinc/96/34/36/459963436.db2.gz UQINVUBDOTWDIS-CZUORRHYSA-N 1 2 340.826 3.153 20 30 EGEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000598609698 459963439 /nfs/dbraw/zinc/96/34/39/459963439.db2.gz UQINVUBDOTWDIS-CZUORRHYSA-N 1 2 340.826 3.153 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000613978968 459982741 /nfs/dbraw/zinc/98/27/41/459982741.db2.gz AIOZCXZWBSPPNU-CQSZACIVSA-N 1 2 332.407 3.484 20 30 EGEDLO N#Cc1ccc([C@@H]([NH2+]Cc2cccc(Cl)c2Cl)C(N)=O)cc1 ZINC000609676494 460007172 /nfs/dbraw/zinc/00/71/72/460007172.db2.gz IFOKYMAKEGJXAF-OAHLLOKOSA-N 1 2 334.206 3.181 20 30 EGEDLO CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000609676568 460008076 /nfs/dbraw/zinc/00/80/76/460008076.db2.gz PQWFQOUALLAZTB-LIRRHRJNSA-N 1 2 337.423 3.223 20 30 EGEDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000609890534 460036041 /nfs/dbraw/zinc/03/60/41/460036041.db2.gz DPUFSLAUTRRPSA-CQSZACIVSA-N 1 2 349.463 3.446 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](OC3CCC3)C2)c(C#N)c1C ZINC000594026901 460062494 /nfs/dbraw/zinc/06/24/94/460062494.db2.gz PRDVIMBRZFHNCQ-CZUORRHYSA-N 1 2 345.443 3.129 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](OC3CCC3)C2)c(C#N)c1C ZINC000594026901 460062499 /nfs/dbraw/zinc/06/24/99/460062499.db2.gz PRDVIMBRZFHNCQ-CZUORRHYSA-N 1 2 345.443 3.129 20 30 EGEDLO OCc1ccc(F)c(C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1 ZINC000625210789 460071476 /nfs/dbraw/zinc/07/14/76/460071476.db2.gz XICXEEKPQNUKDG-GHMZBOCLSA-N 1 2 345.258 3.491 20 30 EGEDLO COc1cc(C#N)ccc1C[N@H+](CC(=O)OC(C)(C)C)C1CCC1 ZINC000594055198 460077499 /nfs/dbraw/zinc/07/74/99/460077499.db2.gz JLSPTNIZMUAMIQ-UHFFFAOYSA-N 1 2 330.428 3.263 20 30 EGEDLO COc1cc(C#N)ccc1C[N@@H+](CC(=O)OC(C)(C)C)C1CCC1 ZINC000594055198 460077506 /nfs/dbraw/zinc/07/75/06/460077506.db2.gz JLSPTNIZMUAMIQ-UHFFFAOYSA-N 1 2 330.428 3.263 20 30 EGEDLO C[C@@H](c1nnc(-c2ccc3ccccc3c2)o1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000602850367 460158303 /nfs/dbraw/zinc/15/83/03/460158303.db2.gz GBCANBDQBINJTH-XOBRGWDASA-N 1 2 348.406 3.301 20 30 EGEDLO C[C@@H](c1nnc(-c2ccc3ccccc3c2)o1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000602850367 460158309 /nfs/dbraw/zinc/15/83/09/460158309.db2.gz GBCANBDQBINJTH-XOBRGWDASA-N 1 2 348.406 3.301 20 30 EGEDLO Cc1ccc(S(=O)(=O)c2ccc(C[NH2+][C@H](C)CC#N)cc2)cc1 ZINC000602868202 460164806 /nfs/dbraw/zinc/16/48/06/460164806.db2.gz HUVNGQNRBNZOQX-OAHLLOKOSA-N 1 2 328.437 3.220 20 30 EGEDLO C[C@@H](CC#N)[NH2+]Cc1cc2c(cc1Br)OCCCO2 ZINC000602869480 460166034 /nfs/dbraw/zinc/16/60/34/460166034.db2.gz OHUUGOVJJGMCEE-JTQLQIEISA-N 1 2 325.206 3.002 20 30 EGEDLO Cc1ccn2cc(CNC(=O)[C@H](C)Cc3ccc(C#N)cc3)[nH+]c2c1 ZINC000594243505 460168548 /nfs/dbraw/zinc/16/85/48/460168548.db2.gz IPNNRQKWINSJLC-OAHLLOKOSA-N 1 2 332.407 3.009 20 30 EGEDLO CC(C)(C)c1nc(NCCSCc2ccccc2C#N)cc[nH+]1 ZINC000610514399 460172128 /nfs/dbraw/zinc/17/21/28/460172128.db2.gz NSWIWTJALCJZSJ-UHFFFAOYSA-N 1 2 326.469 3.413 20 30 EGEDLO CC1(C)C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@H]1c1ccco1 ZINC000602925711 460189724 /nfs/dbraw/zinc/18/97/24/460189724.db2.gz LGUJENLYNDAYSA-AEFFLSMTSA-N 1 2 335.407 3.340 20 30 EGEDLO CC1(C)C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@H]1c1ccco1 ZINC000602925711 460189728 /nfs/dbraw/zinc/18/97/28/460189728.db2.gz LGUJENLYNDAYSA-AEFFLSMTSA-N 1 2 335.407 3.340 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC2(CCSCC2)CC1 ZINC000602953153 460199875 /nfs/dbraw/zinc/19/98/75/460199875.db2.gz WVJJXLIRJZFODX-KRWDZBQOSA-N 1 2 344.480 3.382 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618893060 460210977 /nfs/dbraw/zinc/21/09/77/460210977.db2.gz WANBIUTVOZKSII-GOSISDBHSA-N 1 2 344.418 3.410 20 30 EGEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(C#N)c1 ZINC000611386866 460350642 /nfs/dbraw/zinc/35/06/42/460350642.db2.gz WVQSLFRVPOQXGZ-CYBMUJFWSA-N 1 2 329.363 3.331 20 30 EGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2nc3c(s2)CCCC3)CC1 ZINC000619726208 460424107 /nfs/dbraw/zinc/42/41/07/460424107.db2.gz XNSUOYUQMUSFCP-UHFFFAOYSA-N 1 2 338.480 3.474 20 30 EGEDLO C=CCCOCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000626274130 460458726 /nfs/dbraw/zinc/45/87/26/460458726.db2.gz XLDBNJOJXKMLLV-QGZVFWFLSA-N 1 2 336.863 3.013 20 30 EGEDLO C=CCCOCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000626274130 460458730 /nfs/dbraw/zinc/45/87/30/460458730.db2.gz XLDBNJOJXKMLLV-QGZVFWFLSA-N 1 2 336.863 3.013 20 30 EGEDLO C=CCC[NH+]1CCN(S(=O)(=O)c2ccc([C@H](C)CC)cc2)CC1 ZINC000606896340 460755855 /nfs/dbraw/zinc/75/58/55/460755855.db2.gz IQPLETZUOVZFPG-MRXNPFEDSA-N 1 2 336.501 3.083 20 30 EGEDLO CCC(CC)CN(CCC#N)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000602093370 461008356 /nfs/dbraw/zinc/00/83/56/461008356.db2.gz AJHHOOVIRFICQJ-UHFFFAOYSA-N 1 2 340.427 3.370 20 30 EGEDLO C=CCC1(C(=O)N2CCN(Cc3[nH+]ccn3CC)CC2)CCCCC1 ZINC000648307676 462054999 /nfs/dbraw/zinc/05/49/99/462054999.db2.gz KPSBOAYESDOBFF-UHFFFAOYSA-N 1 2 344.503 3.074 20 30 EGEDLO C=CCCOCC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000644965529 462144174 /nfs/dbraw/zinc/14/41/74/462144174.db2.gz LYUSJKPPZGRATR-UHFFFAOYSA-N 1 2 325.412 3.418 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)[C@H](C)COC ZINC000661244450 462168588 /nfs/dbraw/zinc/16/85/88/462168588.db2.gz UPNSJFPLQVWWGH-LLVKDONJSA-N 1 2 331.243 3.455 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)[C@H](C)COC ZINC000661244450 462168592 /nfs/dbraw/zinc/16/85/92/462168592.db2.gz UPNSJFPLQVWWGH-LLVKDONJSA-N 1 2 331.243 3.455 20 30 EGEDLO CC(=O)Nc1ccc(O)c(C(C)=NNc2cc[nH+]c3ccccc23)c1 ZINC000730148396 574925878 /nfs/dbraw/zinc/92/58/78/574925878.db2.gz SUBXQWZXDYAAGR-UHFFFAOYSA-N 1 2 334.379 3.157 20 30 EGEDLO C#CCOc1ccc(NC(=O)Cn2c(CC)[nH+]c3ccccc32)cc1 ZINC000730979014 575041990 /nfs/dbraw/zinc/04/19/90/575041990.db2.gz IQJANJHNHHSLLS-UHFFFAOYSA-N 1 2 333.391 3.249 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000732058417 575235343 /nfs/dbraw/zinc/23/53/43/575235343.db2.gz YTZFVWXYFYXZDI-KRWDZBQOSA-N 1 2 335.407 3.255 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000732058417 575235345 /nfs/dbraw/zinc/23/53/45/575235345.db2.gz YTZFVWXYFYXZDI-KRWDZBQOSA-N 1 2 335.407 3.255 20 30 EGEDLO Cc1[nH]c[nH+]c1C=NNC(=S)Nc1ccccc1C(F)(F)F ZINC000755500700 575420991 /nfs/dbraw/zinc/42/09/91/575420991.db2.gz ZWQFVAOETNREOE-UHFFFAOYSA-N 1 2 327.335 3.057 20 30 EGEDLO CCC(CC)N[NH+]=Cc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O ZINC000734365108 575474209 /nfs/dbraw/zinc/47/42/09/575474209.db2.gz RMCXQGZRXKKPFA-UHFFFAOYSA-N 1 2 335.411 3.073 20 30 EGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](CCC#N)CC(C)C)c1C ZINC000740423941 576582551 /nfs/dbraw/zinc/58/25/51/576582551.db2.gz XFOBCKUBYWIFIW-UHFFFAOYSA-N 1 2 340.471 3.422 20 30 EGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](CCC#N)CC(C)C)c1C ZINC000740423941 576582552 /nfs/dbraw/zinc/58/25/52/576582552.db2.gz XFOBCKUBYWIFIW-UHFFFAOYSA-N 1 2 340.471 3.422 20 30 EGEDLO C=CC[N@H+](Cc1ccccc1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000744386653 576826850 /nfs/dbraw/zinc/82/68/50/576826850.db2.gz DESMYNBANGWCAM-UHFFFAOYSA-N 1 2 344.418 3.108 20 30 EGEDLO C=CC[N@@H+](Cc1ccccc1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000744386653 576826851 /nfs/dbraw/zinc/82/68/51/576826851.db2.gz DESMYNBANGWCAM-UHFFFAOYSA-N 1 2 344.418 3.108 20 30 EGEDLO CC(N=Nc1nc2ccccc2[nH]1)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000744664858 576832602 /nfs/dbraw/zinc/83/26/02/576832602.db2.gz BQIQIJOSTCIEBU-IBGZPJMESA-N 1 2 349.438 3.424 20 30 EGEDLO CC#CCOC(=O)c1ccccc1OCc1cn2cc(C)ccc2[nH+]1 ZINC000745101265 576841240 /nfs/dbraw/zinc/84/12/40/576841240.db2.gz SJARZGGDQUJDIT-UHFFFAOYSA-N 1 2 334.375 3.402 20 30 EGEDLO CC(=NN=C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1cnccn1 ZINC000745206949 576843628 /nfs/dbraw/zinc/84/36/28/576843628.db2.gz SYRXOHMZURRWNW-UHFFFAOYSA-N 1 2 336.443 3.008 20 30 EGEDLO COCCn1c(C)c(C)n(C[N@H+](C)Cc2ccc(C#N)cc2)c1=S ZINC000054462119 1291752504 /nfs/dbraw/zinc/75/25/04/1291752504.db2.gz IAXXODDBHRRUEK-UHFFFAOYSA-N 1 2 344.484 3.244 20 30 EGEDLO COCCn1c(C)c(C)n(C[N@@H+](C)Cc2ccc(C#N)cc2)c1=S ZINC000054462119 1291752507 /nfs/dbraw/zinc/75/25/07/1291752507.db2.gz IAXXODDBHRRUEK-UHFFFAOYSA-N 1 2 344.484 3.244 20 30 EGEDLO Fc1cccc(N2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)n1 ZINC000831478105 1292870293 /nfs/dbraw/zinc/87/02/93/1292870293.db2.gz XMSFSFOUWYPREL-UHFFFAOYSA-N 1 2 329.806 3.048 20 30 EGEDLO Cc1ccccc1CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000119253340 1293261889 /nfs/dbraw/zinc/26/18/89/1293261889.db2.gz XUXOFNXTJKXJDF-UHFFFAOYSA-N 1 2 346.434 3.155 20 30 EGEDLO Oc1ccc(Br)cc1/C=N/[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000133114110 1293737224 /nfs/dbraw/zinc/73/72/24/1293737224.db2.gz UWDCXNHRXVLFDH-LEBHLANCSA-N 1 2 346.228 3.248 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](CC)CC2CC2)c1=S ZINC000159376292 1294234128 /nfs/dbraw/zinc/23/41/28/1294234128.db2.gz IAGKXTDTLGTATH-UHFFFAOYSA-N 1 2 329.473 3.351 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](CC)CC2CC2)c1=S ZINC000159376292 1294234136 /nfs/dbraw/zinc/23/41/36/1294234136.db2.gz IAGKXTDTLGTATH-UHFFFAOYSA-N 1 2 329.473 3.351 20 30 EGEDLO Cc1ccc([C@@H]2COCC[N@@H+]2CCCOc2ccc(C#N)cc2)o1 ZINC000172026152 1294426251 /nfs/dbraw/zinc/42/62/51/1294426251.db2.gz ZGQLWRVIFLPFHK-SFHVURJKSA-N 1 2 326.396 3.302 20 30 EGEDLO Cc1ccc([C@@H]2COCC[N@H+]2CCCOc2ccc(C#N)cc2)o1 ZINC000172026152 1294426254 /nfs/dbraw/zinc/42/62/54/1294426254.db2.gz ZGQLWRVIFLPFHK-SFHVURJKSA-N 1 2 326.396 3.302 20 30 EGEDLO C=C(C)C[N@H+](C)CN1C(=O)NC2(CCC(c3ccccc3)CC2)C1=O ZINC000182625716 1295064610 /nfs/dbraw/zinc/06/46/10/1295064610.db2.gz SMGBAYHMTBSODY-UHFFFAOYSA-N 1 2 341.455 3.100 20 30 EGEDLO C=C(C)C[N@@H+](C)CN1C(=O)NC2(CCC(c3ccccc3)CC2)C1=O ZINC000182625716 1295064622 /nfs/dbraw/zinc/06/46/22/1295064622.db2.gz SMGBAYHMTBSODY-UHFFFAOYSA-N 1 2 341.455 3.100 20 30 EGEDLO C#C[C@@H](CC)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000229899877 1296159259 /nfs/dbraw/zinc/15/92/59/1296159259.db2.gz YZEAIAICZBCDTM-VIFPVBQESA-N 1 2 347.050 3.419 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+]2CC[C@H](C)[C@@H]2C)c1=S ZINC000246881775 1296374164 /nfs/dbraw/zinc/37/41/64/1296374164.db2.gz MSXTZBUUCGIPNH-KBPBESRZSA-N 1 2 329.473 3.350 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2CC[C@H](C)[C@@H]2C)c1=S ZINC000246881775 1296374180 /nfs/dbraw/zinc/37/41/80/1296374180.db2.gz MSXTZBUUCGIPNH-KBPBESRZSA-N 1 2 329.473 3.350 20 30 EGEDLO O=[N+]([O-])c1ccc(O)c(/C=N\C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000255908464 1296579117 /nfs/dbraw/zinc/57/91/17/1296579117.db2.gz WXLOHQFNPLLVFV-MOSHPQCFSA-N 1 2 339.395 3.384 20 30 EGEDLO C#CC[N@@H+](CC)CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 ZINC000746456803 1298590513 /nfs/dbraw/zinc/59/05/13/1298590513.db2.gz KIECDRGJNYKXKN-LJQANCHMSA-N 1 2 349.434 3.221 20 30 EGEDLO C#CC[N@H+](CC)CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 ZINC000746456803 1298590521 /nfs/dbraw/zinc/59/05/21/1298590521.db2.gz KIECDRGJNYKXKN-LJQANCHMSA-N 1 2 349.434 3.221 20 30 EGEDLO Clc1cccc(N2CCOCC2)c1C=[NH+]OCc1cccnc1 ZINC000746587144 1298619521 /nfs/dbraw/zinc/61/95/21/1298619521.db2.gz GHUWRQVABVCEGT-UHFFFAOYSA-N 1 2 331.803 3.122 20 30 EGEDLO C[C@H]1CC(=NN2C(=S)N=NC2c2ccccc2Cl)C[N@@H+]1C1CC1 ZINC000753956594 1300053265 /nfs/dbraw/zinc/05/32/65/1300053265.db2.gz YUUMWNQPYZMQFC-JTQLQIEISA-N 1 2 347.875 3.348 20 30 EGEDLO C[C@H]1CC(=NN2C(=S)N=NC2c2ccccc2Cl)C[N@H+]1C1CC1 ZINC000753956594 1300053280 /nfs/dbraw/zinc/05/32/80/1300053280.db2.gz YUUMWNQPYZMQFC-JTQLQIEISA-N 1 2 347.875 3.348 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2ccc(C)cc2)CC1 ZINC000879170011 1300411632 /nfs/dbraw/zinc/41/16/32/1300411632.db2.gz QAMSHJCWQCAUPU-UHFFFAOYSA-N 1 2 337.261 3.098 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC000879223547 1300436114 /nfs/dbraw/zinc/43/61/14/1300436114.db2.gz TYOQCZKKDWQDFP-SWLSCSKDSA-N 1 2 333.407 3.185 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(C#N)ccc1F ZINC000879223547 1300436117 /nfs/dbraw/zinc/43/61/17/1300436117.db2.gz TYOQCZKKDWQDFP-SWLSCSKDSA-N 1 2 333.407 3.185 20 30 EGEDLO COc1cccc(C#CCOC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000760991951 1301378523 /nfs/dbraw/zinc/37/85/23/1301378523.db2.gz CZVJSAZVFWNDFF-QGZVFWFLSA-N 1 2 349.430 3.037 20 30 EGEDLO COc1cccc(C#CCOC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000760991951 1301378530 /nfs/dbraw/zinc/37/85/30/1301378530.db2.gz CZVJSAZVFWNDFF-QGZVFWFLSA-N 1 2 349.430 3.037 20 30 EGEDLO C#CC[N@@H+](CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1)C1CC1 ZINC000763960490 1301990564 /nfs/dbraw/zinc/99/05/64/1301990564.db2.gz PZGWEBAJPKPQJH-HXUWFJFHSA-N 1 2 340.467 3.237 20 30 EGEDLO C#CC[N@H+](CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1)C1CC1 ZINC000763960490 1301990571 /nfs/dbraw/zinc/99/05/71/1301990571.db2.gz PZGWEBAJPKPQJH-HXUWFJFHSA-N 1 2 340.467 3.237 20 30 EGEDLO Cc1cc(Br)cn2c(/C=C/C(=O)c3ccnn3C)c[nH+]c12 ZINC000766036245 1302373814 /nfs/dbraw/zinc/37/38/14/1302373814.db2.gz GYVCXYJFVJZYKK-ONEGZZNKSA-N 1 2 345.200 3.035 20 30 EGEDLO Cc1cc(C(N)=[NH+]OCc2ccc(C(F)(F)F)cn2)ccc1F ZINC000766712775 1302505749 /nfs/dbraw/zinc/50/57/49/1302505749.db2.gz WUOPMOFWDAVMEJ-UHFFFAOYSA-N 1 2 327.281 3.385 20 30 EGEDLO Cc1nn(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(C)c1[N+](=O)[O-] ZINC000767986231 1302798908 /nfs/dbraw/zinc/79/89/08/1302798908.db2.gz FWPYVQDJVKCYHL-UHFFFAOYSA-N 1 2 337.383 3.027 20 30 EGEDLO Cc1nn(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(C)c1[N+](=O)[O-] ZINC000767986231 1302798918 /nfs/dbraw/zinc/79/89/18/1302798918.db2.gz FWPYVQDJVKCYHL-UHFFFAOYSA-N 1 2 337.383 3.027 20 30 EGEDLO CCC(CC)C(=O)N1CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000768337895 1302881795 /nfs/dbraw/zinc/88/17/95/1302881795.db2.gz IXJAIBHWYPNJNC-INIZCTEOSA-N 1 2 343.471 3.058 20 30 EGEDLO COc1cc(F)c(C(=O)/C=C\c2cccc3[nH+]ccn32)cc1OC ZINC000769611328 1303147494 /nfs/dbraw/zinc/14/74/94/1303147494.db2.gz YBRWHGLFVJURNI-SREVYHEPSA-N 1 2 326.327 3.387 20 30 EGEDLO O=[N+]([O-])c1cc(N=NC2CCN(c3cccc[nH+]3)CC2)ccc1F ZINC000769822842 1303180805 /nfs/dbraw/zinc/18/08/05/1303180805.db2.gz NADFOPBQVFKHCA-UHFFFAOYSA-N 1 2 329.335 3.197 20 30 EGEDLO C=CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000886761890 1303587893 /nfs/dbraw/zinc/58/78/93/1303587893.db2.gz MTCQJUPUCLGLBK-LBPRGKRZSA-N 1 2 340.826 3.209 20 30 EGEDLO C#C[C@H]([NH2+][C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C)[C@@H]1CCCO1 ZINC000775572539 1303987486 /nfs/dbraw/zinc/98/74/86/1303987486.db2.gz BLNIZURWNOMICE-ZLIFDBKOSA-N 1 2 344.846 3.061 20 30 EGEDLO C#C[C@H]([NH2+]Cc1csc(-c2cccc(OC)c2)n1)[C@@H]1CCCO1 ZINC000775789123 1304038623 /nfs/dbraw/zinc/03/86/23/1304038623.db2.gz AUMDIJPQBJYOQZ-IRXDYDNUSA-N 1 2 328.437 3.089 20 30 EGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC000777603916 1304324393 /nfs/dbraw/zinc/32/43/93/1304324393.db2.gz ABWSKPFZOLUQOP-UHFFFAOYSA-N 1 2 340.402 3.215 20 30 EGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000780156008 1304645704 /nfs/dbraw/zinc/64/57/04/1304645704.db2.gz CGHVFUGVUKXZHN-HNNXBMFYSA-N 1 2 346.390 3.475 20 30 EGEDLO CC(C)OCCO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000782320411 1304952824 /nfs/dbraw/zinc/95/28/24/1304952824.db2.gz FTFWWRCEIBGWPN-UHFFFAOYSA-N 1 2 328.412 3.328 20 30 EGEDLO Cc1ncsc1CCO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782950360 1305027187 /nfs/dbraw/zinc/02/71/87/1305027187.db2.gz WPEOKNOUYFJJEQ-UHFFFAOYSA-N 1 2 340.246 3.094 20 30 EGEDLO C[C@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1nnnn1C1CC1 ZINC000790533952 1306346252 /nfs/dbraw/zinc/34/62/52/1306346252.db2.gz IKEGWVMTEMSYJR-AWEZNQCLSA-N 1 2 344.422 3.397 20 30 EGEDLO C=C[C@H]1CCCC[N@H+]1Cc1sc(N2CCOCC2)nc1Cl ZINC000894584563 1308966608 /nfs/dbraw/zinc/96/66/08/1308966608.db2.gz WEPVNHPRUHNAKE-LBPRGKRZSA-N 1 2 327.881 3.174 20 30 EGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1sc(N2CCOCC2)nc1Cl ZINC000894584563 1308966616 /nfs/dbraw/zinc/96/66/16/1308966616.db2.gz WEPVNHPRUHNAKE-LBPRGKRZSA-N 1 2 327.881 3.174 20 30 EGEDLO N#Cc1ccc(OCc2ccc(C(=O)OCc3cc[nH+]c(N)c3)o2)cc1 ZINC000791838975 1309074658 /nfs/dbraw/zinc/07/46/58/1309074658.db2.gz PIGKTHMEDZXPFU-UHFFFAOYSA-N 1 2 349.346 3.064 20 30 EGEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3ccccc3-n3ccnn3)n21 ZINC000794731476 1309586194 /nfs/dbraw/zinc/58/61/94/1309586194.db2.gz JUMCSUFLWYHZLA-MDZDMXLPSA-N 1 2 329.363 3.120 20 30 EGEDLO Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(F)(F)CC2)cc1C ZINC000796553557 1310030246 /nfs/dbraw/zinc/03/02/46/1310030246.db2.gz WWUASFSATAVTLR-UHFFFAOYSA-N 1 2 335.398 3.281 20 30 EGEDLO COC(=O)c1cnc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)s1 ZINC000897589032 1310397745 /nfs/dbraw/zinc/39/77/45/1310397745.db2.gz QSDOONZNNOXKMX-UHFFFAOYSA-N 1 2 341.436 3.181 20 30 EGEDLO O=C1C=C([NH2+]Nc2ccc(Br)c(F)c2)[C@@H]2CCCCN12 ZINC000799485088 1310559341 /nfs/dbraw/zinc/55/93/41/1310559341.db2.gz NNCIRLMWWXZXAT-ZDUSSCGKSA-N 1 2 340.196 3.141 20 30 EGEDLO Cc1[nH+]c(C(C)N=Nc2nc(-c3ccc(Cl)cc3)no2)cn1C ZINC000800813077 1310810963 /nfs/dbraw/zinc/81/09/63/1310810963.db2.gz RMVUBRZHBLKEOR-UHFFFAOYSA-N 1 2 330.779 3.268 20 30 EGEDLO CC[C@@]1(C(C)C)C[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000956980053 1317116705 /nfs/dbraw/zinc/11/67/05/1317116705.db2.gz VBAOCQGOANYICR-CTNGQTDRSA-N 1 2 339.483 3.275 20 30 EGEDLO Cc1nc(/C=C2/CSC/C(=C/c3[nH]c(C)c(C)[nH+]3)C2=O)[nH]c1C ZINC000901440477 1317426716 /nfs/dbraw/zinc/42/67/16/1317426716.db2.gz VISPRDAEQZGEMR-GFIWHYBVSA-N 1 2 328.441 3.149 20 30 EGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@@H](C#N)C3)n2)C1 ZINC000902916760 1317630467 /nfs/dbraw/zinc/63/04/67/1317630467.db2.gz BXZMTOFAVLXCRW-KBPBESRZSA-N 1 2 347.488 3.142 20 30 EGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@@H](C#N)C3)n2)C1 ZINC000902916760 1317630470 /nfs/dbraw/zinc/63/04/70/1317630470.db2.gz BXZMTOFAVLXCRW-KBPBESRZSA-N 1 2 347.488 3.142 20 30 EGEDLO COc1ccc2c(c1F)C/C(=C/c1ncc(C[NH+](C)C)s1)C2=O ZINC000809157190 1317777179 /nfs/dbraw/zinc/77/71/79/1317777179.db2.gz QZPJMZFRVCXAQK-YFHOEESVSA-N 1 2 332.400 3.175 20 30 EGEDLO Cn1c[nH+]cc1CCC(=O)N(O)Cc1cc(Cl)cc(Cl)c1 ZINC000904180678 1317805594 /nfs/dbraw/zinc/80/55/94/1317805594.db2.gz NGDUFQDRPBIQJW-UHFFFAOYSA-N 1 2 328.199 3.078 20 30 EGEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)N(C)Cc3ccccc3)CC2)cc1 ZINC000809548938 1317828089 /nfs/dbraw/zinc/82/80/89/1317828089.db2.gz CGOHIFMJCCZOLQ-UHFFFAOYSA-N 1 2 347.462 3.038 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@H+]1CCCN(CC(F)F)CC1 ZINC000809756145 1317892769 /nfs/dbraw/zinc/89/27/69/1317892769.db2.gz DKXQKOODEMCYIB-UHFFFAOYSA-N 1 2 342.817 3.125 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000809756145 1317892776 /nfs/dbraw/zinc/89/27/76/1317892776.db2.gz DKXQKOODEMCYIB-UHFFFAOYSA-N 1 2 342.817 3.125 20 30 EGEDLO C=CCCOCC(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907815826 1318264215 /nfs/dbraw/zinc/26/42/15/1318264215.db2.gz MWIPWGZFOOCSDY-HNNXBMFYSA-N 1 2 331.460 3.024 20 30 EGEDLO C=CCCOCC(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907815826 1318264225 /nfs/dbraw/zinc/26/42/25/1318264225.db2.gz MWIPWGZFOOCSDY-HNNXBMFYSA-N 1 2 331.460 3.024 20 30 EGEDLO N#Cc1cccc(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)n1 ZINC000907815916 1318264325 /nfs/dbraw/zinc/26/43/25/1318264325.db2.gz OOFYGTBOSHNEGJ-CQSZACIVSA-N 1 2 349.438 3.011 20 30 EGEDLO N#Cc1cccc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)n1 ZINC000907815916 1318264334 /nfs/dbraw/zinc/26/43/34/1318264334.db2.gz OOFYGTBOSHNEGJ-CQSZACIVSA-N 1 2 349.438 3.011 20 30 EGEDLO C=C1CCC(C(=O)N2CCCC[C@H]2C[NH2+][C@@H](C)c2noc(C)n2)CC1 ZINC000960111439 1318363174 /nfs/dbraw/zinc/36/31/74/1318363174.db2.gz LCAIVQWXSFZEGF-YOEHRIQHSA-N 1 2 346.475 3.156 20 30 EGEDLO CC(C)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccccc1C#N ZINC000960250545 1318431066 /nfs/dbraw/zinc/43/10/66/1318431066.db2.gz RWQDSJYYTFHKQC-WOJBJXKFSA-N 1 2 333.435 3.086 20 30 EGEDLO C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1cccc2nc[nH]c21 ZINC000960322167 1318459938 /nfs/dbraw/zinc/45/99/38/1318459938.db2.gz ZDTOUHPBVWETEE-RTBURBONSA-N 1 2 346.434 3.124 20 30 EGEDLO C=CCn1nnn(C[N@H+]2CC[C@H](c3ccc(CC)cc3)C2)c1=S ZINC000814224547 1318704091 /nfs/dbraw/zinc/70/40/91/1318704091.db2.gz JIOUTLDCVRWVLR-INIZCTEOSA-N 1 2 329.473 3.004 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2CC[C@H](c3ccc(CC)cc3)C2)c1=S ZINC000814224547 1318704098 /nfs/dbraw/zinc/70/40/98/1318704098.db2.gz JIOUTLDCVRWVLR-INIZCTEOSA-N 1 2 329.473 3.004 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)[C@@H](C)c1ncccn1 ZINC000960786847 1318887974 /nfs/dbraw/zinc/88/79/74/1318887974.db2.gz LWXVHTQMOJSLES-HOTGVXAUSA-N 1 2 330.476 3.063 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)[C@@H](C)c1ncccn1 ZINC000960786847 1318887983 /nfs/dbraw/zinc/88/79/83/1318887983.db2.gz LWXVHTQMOJSLES-HOTGVXAUSA-N 1 2 330.476 3.063 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2nccs2)CC1 ZINC000960835846 1318967941 /nfs/dbraw/zinc/96/79/41/1318967941.db2.gz DLXMQQDIWYSNPT-INIZCTEOSA-N 1 2 333.501 3.312 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2nccs2)CC1 ZINC000960835846 1318967946 /nfs/dbraw/zinc/96/79/46/1318967946.db2.gz DLXMQQDIWYSNPT-INIZCTEOSA-N 1 2 333.501 3.312 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2cc(C)on2)CC1 ZINC000960839673 1318972027 /nfs/dbraw/zinc/97/20/27/1318972027.db2.gz SFTRALFOCROWAU-GOSISDBHSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2cc(C)on2)CC1 ZINC000960839673 1318972033 /nfs/dbraw/zinc/97/20/33/1318972033.db2.gz SFTRALFOCROWAU-GOSISDBHSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccon1)c1ccccc1 ZINC000961036030 1319160756 /nfs/dbraw/zinc/16/07/56/1319160756.db2.gz WKQXGFUTSGTLPS-OALUTQOASA-N 1 2 339.439 3.067 20 30 EGEDLO C=C[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccon1)c1ccccc1 ZINC000961036030 1319160760 /nfs/dbraw/zinc/16/07/60/1319160760.db2.gz WKQXGFUTSGTLPS-OALUTQOASA-N 1 2 339.439 3.067 20 30 EGEDLO C=CC[N@@H+](CN1C(=O)N[C@](CC)(c2ccc(Cl)cc2)C1=O)C(C)C ZINC000917481500 1319819691 /nfs/dbraw/zinc/81/96/91/1319819691.db2.gz MAFCMDXERNLPHR-GOSISDBHSA-N 1 2 349.862 3.351 20 30 EGEDLO C=CC[N@H+](CN1C(=O)N[C@](CC)(c2ccc(Cl)cc2)C1=O)C(C)C ZINC000917481500 1319819714 /nfs/dbraw/zinc/81/97/14/1319819714.db2.gz MAFCMDXERNLPHR-GOSISDBHSA-N 1 2 349.862 3.351 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cn(Cc2ccccc2)nn1 ZINC000823619156 1320192761 /nfs/dbraw/zinc/19/27/61/1320192761.db2.gz YOEWQXPROJGNLM-MRXNPFEDSA-N 1 2 331.423 3.391 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cn(Cc2ccccc2)nn1 ZINC000823619156 1320192762 /nfs/dbraw/zinc/19/27/62/1320192762.db2.gz YOEWQXPROJGNLM-MRXNPFEDSA-N 1 2 331.423 3.391 20 30 EGEDLO C#C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1 ZINC000825668008 1320353703 /nfs/dbraw/zinc/35/37/03/1320353703.db2.gz KEZYBSKFENCUDJ-LJQANCHMSA-N 1 2 348.450 3.246 20 30 EGEDLO Cc1cc(C#N)cc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000836772807 1320532718 /nfs/dbraw/zinc/53/27/18/1320532718.db2.gz AMVMUDNBYTUWEQ-INIZCTEOSA-N 1 2 325.416 3.300 20 30 EGEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nc(-c2ccccc2)cs1 ZINC000840739011 1321138590 /nfs/dbraw/zinc/13/85/90/1321138590.db2.gz ZXEZKLPGGVRWAJ-AWEZNQCLSA-N 1 2 333.482 3.109 20 30 EGEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nc(-c2ccccc2)cs1 ZINC000840739011 1321138594 /nfs/dbraw/zinc/13/85/94/1321138594.db2.gz ZXEZKLPGGVRWAJ-AWEZNQCLSA-N 1 2 333.482 3.109 20 30 EGEDLO C#CC[N@H+](Cc1ccccc1)Cc1ccc(OCC(F)(F)F)nn1 ZINC000846903734 1321822017 /nfs/dbraw/zinc/82/20/17/1321822017.db2.gz PKVSENVQVUMNLJ-UHFFFAOYSA-N 1 2 335.329 3.053 20 30 EGEDLO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(OCC(F)(F)F)nn1 ZINC000846903734 1321822020 /nfs/dbraw/zinc/82/20/20/1321822020.db2.gz PKVSENVQVUMNLJ-UHFFFAOYSA-N 1 2 335.329 3.053 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(/C=C\C(=O)OC)o1)Cc1ccc(CO)o1 ZINC000848911732 1322042723 /nfs/dbraw/zinc/04/27/23/1322042723.db2.gz XSRBCRJZKHXOQY-HJWRWDBZSA-N 1 2 345.395 3.129 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(/C=C\C(=O)OC)o1)Cc1ccc(CO)o1 ZINC000848911732 1322042728 /nfs/dbraw/zinc/04/27/28/1322042728.db2.gz XSRBCRJZKHXOQY-HJWRWDBZSA-N 1 2 345.395 3.129 20 30 EGEDLO COc1cc([N+](=O)[O-])ccc1C(=O)/C=C\c1ncc(C[NH+](C)C)s1 ZINC000849252569 1322102396 /nfs/dbraw/zinc/10/23/96/1322102396.db2.gz XCERIGYYCFOEJN-SREVYHEPSA-N 1 2 347.396 3.018 20 30 EGEDLO N#Cc1ccccc1NC(=S)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921143558 1322262900 /nfs/dbraw/zinc/26/29/00/1322262900.db2.gz PCWBQUGECODCFL-UHFFFAOYSA-N 1 2 333.420 3.231 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C(F)F)nc1 ZINC001024469073 1323424581 /nfs/dbraw/zinc/42/45/81/1323424581.db2.gz PHHQJJWOLBHPKF-ZDUSSCGKSA-N 1 2 343.805 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C(F)F)nc1 ZINC001024469073 1323424584 /nfs/dbraw/zinc/42/45/84/1323424584.db2.gz PHHQJJWOLBHPKF-ZDUSSCGKSA-N 1 2 343.805 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc2c1COCC2 ZINC001024478620 1323431887 /nfs/dbraw/zinc/43/18/87/1323431887.db2.gz UOKIWOYIHCIFID-INIZCTEOSA-N 1 2 348.874 3.096 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc2c1COCC2 ZINC001024478620 1323431890 /nfs/dbraw/zinc/43/18/90/1323431890.db2.gz UOKIWOYIHCIFID-INIZCTEOSA-N 1 2 348.874 3.096 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccc(F)cn2)CC1 ZINC001024634722 1323560961 /nfs/dbraw/zinc/56/09/61/1323560961.db2.gz WKYIFKCOAJNZSW-LJQANCHMSA-N 1 2 345.462 3.438 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccc(F)cn2)CC1 ZINC001024634722 1323560965 /nfs/dbraw/zinc/56/09/65/1323560965.db2.gz WKYIFKCOAJNZSW-LJQANCHMSA-N 1 2 345.462 3.438 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc2[nH]c(C)nc21 ZINC001024748621 1323651661 /nfs/dbraw/zinc/65/16/61/1323651661.db2.gz LGQFAYLIVUDJLU-CQSZACIVSA-N 1 2 346.862 3.208 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc2[nH]c(C)nc21 ZINC001024748621 1323651667 /nfs/dbraw/zinc/65/16/67/1323651667.db2.gz LGQFAYLIVUDJLU-CQSZACIVSA-N 1 2 346.862 3.208 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000853450600 1325094555 /nfs/dbraw/zinc/09/45/55/1325094555.db2.gz FBCMKFULWWEPRB-QAPCUYQASA-N 1 2 332.469 3.340 20 30 EGEDLO C=CC[N@H+](CN1C(=O)C2(CCC2)[C@@H]1c1ccccc1)[C@H](C)COC ZINC000853535002 1325116503 /nfs/dbraw/zinc/11/65/03/1325116503.db2.gz OJIHEDCHYWUKFU-AEFFLSMTSA-N 1 2 328.456 3.221 20 30 EGEDLO C=CC[N@@H+](CN1C(=O)C2(CCC2)[C@@H]1c1ccccc1)[C@H](C)COC ZINC000853535002 1325116509 /nfs/dbraw/zinc/11/65/09/1325116509.db2.gz OJIHEDCHYWUKFU-AEFFLSMTSA-N 1 2 328.456 3.221 20 30 EGEDLO C=CC[C@@H]1CCC[N@H+](Cn2ncn(CCc3ccccn3)c2=S)C1 ZINC000853537010 1325117498 /nfs/dbraw/zinc/11/74/98/1325117498.db2.gz MIIVQRCJAWCVTE-MRXNPFEDSA-N 1 2 343.500 3.297 20 30 EGEDLO C=CC[C@@H]1CCC[N@@H+](Cn2ncn(CCc3ccccn3)c2=S)C1 ZINC000853537010 1325117518 /nfs/dbraw/zinc/11/75/18/1325117518.db2.gz MIIVQRCJAWCVTE-MRXNPFEDSA-N 1 2 343.500 3.297 20 30 EGEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCC3(CC#N)CC3)c2)n1 ZINC000853658670 1325142132 /nfs/dbraw/zinc/14/21/32/1325142132.db2.gz SEHJQSOCICIIBK-UHFFFAOYSA-N 1 2 337.427 3.089 20 30 EGEDLO CC[C@@H]([NH2+]CCc1nn(C)c2ccccc12)c1cccc(C#N)c1O ZINC000926208075 1325471198 /nfs/dbraw/zinc/47/11/98/1325471198.db2.gz YSJLWTWYEKVMIR-QGZVFWFLSA-N 1 2 334.423 3.434 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)CC2CCC2)C1 ZINC001027350003 1325515195 /nfs/dbraw/zinc/51/51/95/1325515195.db2.gz FKXVTSBTIIPRQC-AWEZNQCLSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)CC2CCC2)C1 ZINC001027350003 1325515202 /nfs/dbraw/zinc/51/52/02/1325515202.db2.gz FKXVTSBTIIPRQC-AWEZNQCLSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)CC2CCC2)C1 ZINC001027350004 1325515667 /nfs/dbraw/zinc/51/56/67/1325515667.db2.gz FKXVTSBTIIPRQC-CQSZACIVSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)CC2CCC2)C1 ZINC001027350004 1325515672 /nfs/dbraw/zinc/51/56/72/1325515672.db2.gz FKXVTSBTIIPRQC-CQSZACIVSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(F)cc(Cl)c2)C1 ZINC001033446218 1341827224 /nfs/dbraw/zinc/82/72/24/1341827224.db2.gz DSAFUZMPUXSXGA-CQSZACIVSA-N 1 2 331.218 3.378 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(F)cc(Cl)c2)C1 ZINC001033446218 1341827225 /nfs/dbraw/zinc/82/72/25/1341827225.db2.gz DSAFUZMPUXSXGA-CQSZACIVSA-N 1 2 331.218 3.378 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC001027521926 1327794201 /nfs/dbraw/zinc/79/42/01/1327794201.db2.gz NUFIUWZHMDPTKS-OAHLLOKOSA-N 1 2 345.487 3.188 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC001027521926 1327794211 /nfs/dbraw/zinc/79/42/11/1327794211.db2.gz NUFIUWZHMDPTKS-OAHLLOKOSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)C[C@@H](C)C2CC2)C1 ZINC001027695981 1328104755 /nfs/dbraw/zinc/10/47/55/1328104755.db2.gz KPIKWNHTKHVRHY-DOMZBBRYSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H](C)C2CC2)C1 ZINC001027695981 1328104758 /nfs/dbraw/zinc/10/47/58/1328104758.db2.gz KPIKWNHTKHVRHY-DOMZBBRYSA-N 1 2 343.309 3.254 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001027749495 1328182825 /nfs/dbraw/zinc/18/28/25/1328182825.db2.gz XFKDDXQNBNMZNM-BEFAXECRSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001027749495 1328182830 /nfs/dbraw/zinc/18/28/30/1328182830.db2.gz XFKDDXQNBNMZNM-BEFAXECRSA-N 1 2 341.430 3.134 20 30 EGEDLO C[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)C1(C)CC1 ZINC000966301574 1328261479 /nfs/dbraw/zinc/26/14/79/1328261479.db2.gz UYETZSJHUQLJOE-CRAIPNDOSA-N 1 2 344.886 3.318 20 30 EGEDLO C[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)C1(C)CC1 ZINC000966301574 1328261490 /nfs/dbraw/zinc/26/14/90/1328261490.db2.gz UYETZSJHUQLJOE-CRAIPNDOSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(C)(C)C)cn1 ZINC001027889575 1328355898 /nfs/dbraw/zinc/35/58/98/1328355898.db2.gz CLBZMIOGHBKCRO-OAHLLOKOSA-N 1 2 335.879 3.326 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(C)(C)C)cn1 ZINC001027889575 1328355908 /nfs/dbraw/zinc/35/59/08/1328355908.db2.gz CLBZMIOGHBKCRO-OAHLLOKOSA-N 1 2 335.879 3.326 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2nc(C)oc2c1 ZINC001027949068 1328420836 /nfs/dbraw/zinc/42/08/36/1328420836.db2.gz OBLNKQYMKGKQAH-AWEZNQCLSA-N 1 2 333.819 3.083 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2nc(C)oc2c1 ZINC001027949068 1328420839 /nfs/dbraw/zinc/42/08/39/1328420839.db2.gz OBLNKQYMKGKQAH-AWEZNQCLSA-N 1 2 333.819 3.083 20 30 EGEDLO CCc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2C#N)o1 ZINC001027973469 1328449305 /nfs/dbraw/zinc/44/93/05/1328449305.db2.gz RUKCRNJQIJHPLQ-KRWDZBQOSA-N 1 2 337.423 3.108 20 30 EGEDLO CCc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2C#N)o1 ZINC001027973469 1328449310 /nfs/dbraw/zinc/44/93/10/1328449310.db2.gz RUKCRNJQIJHPLQ-KRWDZBQOSA-N 1 2 337.423 3.108 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2ccccc2CC)C1 ZINC000966903072 1328463611 /nfs/dbraw/zinc/46/36/11/1328463611.db2.gz ARRXMJQJUUECJV-KSSFIOAISA-N 1 2 334.891 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2ccccc2CC)C1 ZINC000966903072 1328463616 /nfs/dbraw/zinc/46/36/16/1328463616.db2.gz ARRXMJQJUUECJV-KSSFIOAISA-N 1 2 334.891 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)cc1F ZINC001028010208 1328471239 /nfs/dbraw/zinc/47/12/39/1328471239.db2.gz UBTCBBVLFPXDDV-GFCCVEGCSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)cc1F ZINC001028010208 1328471243 /nfs/dbraw/zinc/47/12/43/1328471243.db2.gz UBTCBBVLFPXDDV-GFCCVEGCSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CCN(c3cc(C)[nH+]c(C4CC4)n3)C2)C1 ZINC001063028395 1351705236 /nfs/dbraw/zinc/70/52/36/1351705236.db2.gz LPQSHHBNXFPKRT-INIZCTEOSA-N 1 2 340.471 3.056 20 30 EGEDLO C#CCCOc1ccc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000862506854 1329491722 /nfs/dbraw/zinc/49/17/22/1329491722.db2.gz LWYBGYOSKMFEHG-UHFFFAOYSA-N 1 2 333.435 3.314 20 30 EGEDLO C#CCCOc1ccc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000862506854 1329491723 /nfs/dbraw/zinc/49/17/23/1329491723.db2.gz LWYBGYOSKMFEHG-UHFFFAOYSA-N 1 2 333.435 3.314 20 30 EGEDLO N#Cc1cc([N+](=O)[O-])c(NCc2cc[nH+]c(N3CCCC3)c2)cc1F ZINC000865426612 1329695831 /nfs/dbraw/zinc/69/58/31/1329695831.db2.gz BNMKTWNIGYJQIY-UHFFFAOYSA-N 1 2 341.346 3.213 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C)C(C)(C)C1 ZINC000941178029 1331372043 /nfs/dbraw/zinc/37/20/43/1331372043.db2.gz SIYULCIENSCAQB-LBPRGKRZSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C)C(C)(C)C1 ZINC000941178029 1331372047 /nfs/dbraw/zinc/37/20/47/1331372047.db2.gz SIYULCIENSCAQB-LBPRGKRZSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3coc(C4CC4)n3)C[C@H]2C)C1 ZINC000942608710 1332004240 /nfs/dbraw/zinc/00/42/40/1332004240.db2.gz YZIDJUYCSDDMPG-RHSMWYFYSA-N 1 2 343.471 3.235 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3coc(C4CC4)n3)C[C@H]2C)C1 ZINC000942608710 1332004244 /nfs/dbraw/zinc/00/42/44/1332004244.db2.gz YZIDJUYCSDDMPG-RHSMWYFYSA-N 1 2 343.471 3.235 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C2CCCCC2)C[C@H]1C ZINC000946997263 1332962301 /nfs/dbraw/zinc/96/23/01/1332962301.db2.gz UILCXXWXIIRKNX-UKRRQHHQSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C2CCCCC2)C[C@H]1C ZINC000946997263 1332962304 /nfs/dbraw/zinc/96/23/04/1332962304.db2.gz UILCXXWXIIRKNX-UKRRQHHQSA-N 1 2 343.309 3.444 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)C2CC=CC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947152981 1333024913 /nfs/dbraw/zinc/02/49/13/1333024913.db2.gz PMNDFOUKBCWYRU-LIRRHRJNSA-N 1 2 341.430 3.133 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)C2CC=CC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947152981 1333024915 /nfs/dbraw/zinc/02/49/15/1333024915.db2.gz PMNDFOUKBCWYRU-LIRRHRJNSA-N 1 2 341.430 3.133 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)nc(C)c1 ZINC000948919472 1333733785 /nfs/dbraw/zinc/73/37/85/1333733785.db2.gz IMJARRBBAMNQPW-NRFANRHFSA-N 1 2 347.462 3.051 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)nc(C)c1 ZINC000948919472 1333733788 /nfs/dbraw/zinc/73/37/88/1333733788.db2.gz IMJARRBBAMNQPW-NRFANRHFSA-N 1 2 347.462 3.051 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc2c(o1)CCCC2 ZINC000948923875 1333736490 /nfs/dbraw/zinc/73/64/90/1333736490.db2.gz WKECFEGDBRYOOK-LJQANCHMSA-N 1 2 348.446 3.121 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc2c(o1)CCCC2 ZINC000948923875 1333736493 /nfs/dbraw/zinc/73/64/93/1333736493.db2.gz WKECFEGDBRYOOK-LJQANCHMSA-N 1 2 348.446 3.121 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC000948983067 1333758439 /nfs/dbraw/zinc/75/84/39/1333758439.db2.gz VSRWCUAKFAQGQR-OAQYLSRUSA-N 1 2 332.447 3.266 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC000948983067 1333758443 /nfs/dbraw/zinc/75/84/43/1333758443.db2.gz VSRWCUAKFAQGQR-OAQYLSRUSA-N 1 2 332.447 3.266 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC000948982835 1333758586 /nfs/dbraw/zinc/75/85/86/1333758586.db2.gz QYXHBNQJGWKBPB-OAQYLSRUSA-N 1 2 332.447 3.266 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC000948982835 1333758589 /nfs/dbraw/zinc/75/85/89/1333758589.db2.gz QYXHBNQJGWKBPB-OAQYLSRUSA-N 1 2 332.447 3.266 20 30 EGEDLO C=C1CCC(C(=O)N2CC[NH+](CCOc3cccc(F)c3)CC2)CC1 ZINC000950046694 1334001152 /nfs/dbraw/zinc/00/11/52/1334001152.db2.gz IIGYWAORZRPTSK-UHFFFAOYSA-N 1 2 346.446 3.095 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)C1 ZINC000950372944 1334053070 /nfs/dbraw/zinc/05/30/70/1334053070.db2.gz AVXZBGRCZPYZTQ-UHFFFAOYSA-N 1 2 348.874 3.219 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[NH+](CCOc3cccc(CC)c3)CC2)C1 ZINC000950373126 1334053078 /nfs/dbraw/zinc/05/30/78/1334053078.db2.gz HGTQQZFNEDOFHM-UHFFFAOYSA-N 1 2 342.483 3.128 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC001112896485 1369077802 /nfs/dbraw/zinc/07/78/02/1369077802.db2.gz ZQGPIONCQMUBOX-ZDUSSCGKSA-N 1 2 333.303 3.317 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(C3CCCCC3)n[nH]2)C1 ZINC000950522654 1334085175 /nfs/dbraw/zinc/08/51/75/1334085175.db2.gz TUAQOCIHAMMCIF-UHFFFAOYSA-N 1 2 330.476 3.180 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc3c([nH]2)c(F)ccc3C)C1 ZINC000950680795 1334114882 /nfs/dbraw/zinc/11/48/82/1334114882.db2.gz GASXUKJOHSYRCJ-UHFFFAOYSA-N 1 2 329.419 3.338 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2csc(C(F)(F)F)c2)C1 ZINC000950721033 1334122418 /nfs/dbraw/zinc/12/24/18/1334122418.db2.gz OMXZAYZCYDZQDB-UHFFFAOYSA-N 1 2 332.391 3.489 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC000951785606 1334314012 /nfs/dbraw/zinc/31/40/12/1334314012.db2.gz VOBADRWKYDPIKB-ZMYBRWDISA-N 1 2 346.446 3.011 20 30 EGEDLO C=CCOc1ccccc1C(=O)N[C@H]1C[N@@H+](CC(=C)Cl)CC[C@H]1C ZINC000967010407 1335641666 /nfs/dbraw/zinc/64/16/66/1335641666.db2.gz VKWMHKQDYPYGGC-PBHICJAKSA-N 1 2 348.874 3.444 20 30 EGEDLO C=CCOc1ccccc1C(=O)N[C@H]1C[N@H+](CC(=C)Cl)CC[C@H]1C ZINC000967010407 1335641668 /nfs/dbraw/zinc/64/16/68/1335641668.db2.gz VKWMHKQDYPYGGC-PBHICJAKSA-N 1 2 348.874 3.444 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3c(C)cccn3c2)C1 ZINC000968540486 1335956933 /nfs/dbraw/zinc/95/69/33/1335956933.db2.gz VOBHDDPBWLVUDO-DYVFJYSZSA-N 1 2 345.874 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3c(C)cccn3c2)C1 ZINC000968540486 1335956936 /nfs/dbraw/zinc/95/69/36/1335956936.db2.gz VOBHDDPBWLVUDO-DYVFJYSZSA-N 1 2 345.874 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3ncsc3c2)C1 ZINC000968613228 1335984035 /nfs/dbraw/zinc/98/40/35/1335984035.db2.gz BLNNBPCGLHAGLI-XHDPSFHLSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3ncsc3c2)C1 ZINC000968613228 1335984042 /nfs/dbraw/zinc/98/40/42/1335984042.db2.gz BLNNBPCGLHAGLI-XHDPSFHLSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC000968635643 1335991062 /nfs/dbraw/zinc/99/10/62/1335991062.db2.gz NUOPIPYTRZYZQI-UGSOOPFHSA-N 1 2 332.875 3.368 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC000968635643 1335991066 /nfs/dbraw/zinc/99/10/66/1335991066.db2.gz NUOPIPYTRZYZQI-UGSOOPFHSA-N 1 2 332.875 3.368 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCCC[C@H]1CNC(=O)C1CCCC1 ZINC000968730801 1336029687 /nfs/dbraw/zinc/02/96/87/1336029687.db2.gz ZQJQQVQXHIXIIY-HNNXBMFYSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Br)C[N@H+]1CCCCC[C@H]1CNC(=O)C1CCCC1 ZINC000968730801 1336029691 /nfs/dbraw/zinc/02/96/91/1336029691.db2.gz ZQJQQVQXHIXIIY-HNNXBMFYSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1cc(CCC)on1 ZINC000969096669 1336140765 /nfs/dbraw/zinc/14/07/65/1336140765.db2.gz BITKDFNNVXBHEM-CQSZACIVSA-N 1 2 339.867 3.354 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cc(CCC)on1 ZINC000969096669 1336140766 /nfs/dbraw/zinc/14/07/66/1336140766.db2.gz BITKDFNNVXBHEM-CQSZACIVSA-N 1 2 339.867 3.354 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000969676557 1336236143 /nfs/dbraw/zinc/23/61/43/1336236143.db2.gz GCSJGABHTLWURU-QGTPRVQTSA-N 1 2 348.874 3.096 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC000970372131 1336298848 /nfs/dbraw/zinc/29/88/48/1336298848.db2.gz MQHXQAQPEJLXGQ-LBPRGKRZSA-N 1 2 327.255 3.451 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)C2(C)CC=CC2)CC1 ZINC001005937670 1336426520 /nfs/dbraw/zinc/42/65/20/1336426520.db2.gz PFNJBIQBGJIASC-UHFFFAOYSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@H](C)C2)CC1 ZINC001006081764 1336448794 /nfs/dbraw/zinc/44/87/94/1336448794.db2.gz GZNLZHFLNGQDDH-JSGCOSHPSA-N 1 2 343.309 3.254 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccccc3)C2)cc1F ZINC001006617028 1336540203 /nfs/dbraw/zinc/54/02/03/1336540203.db2.gz VGEGDORLRLCQMD-SFHVURJKSA-N 1 2 337.398 3.092 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3ccccc3)C2)cc1F ZINC001006617028 1336540206 /nfs/dbraw/zinc/54/02/06/1336540206.db2.gz VGEGDORLRLCQMD-SFHVURJKSA-N 1 2 337.398 3.092 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)s1 ZINC001006634338 1336543945 /nfs/dbraw/zinc/54/39/45/1336543945.db2.gz ADIGQQNNPFMWMW-OAHLLOKOSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)s1 ZINC001006634338 1336543948 /nfs/dbraw/zinc/54/39/48/1336543948.db2.gz ADIGQQNNPFMWMW-OAHLLOKOSA-N 1 2 343.427 3.153 20 30 EGEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)c1ccoc1 ZINC001006735065 1336567339 /nfs/dbraw/zinc/56/73/39/1336567339.db2.gz GCPJARVTKQDBEG-GOSISDBHSA-N 1 2 342.826 3.179 20 30 EGEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)c1ccoc1 ZINC001006735065 1336567341 /nfs/dbraw/zinc/56/73/41/1336567341.db2.gz GCPJARVTKQDBEG-GOSISDBHSA-N 1 2 342.826 3.179 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([C@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001063900213 1352076078 /nfs/dbraw/zinc/07/60/78/1352076078.db2.gz PBXDVMNBWCSHIU-GOEBONIOSA-N 1 2 330.476 3.426 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001007467922 1336653113 /nfs/dbraw/zinc/65/31/13/1336653113.db2.gz CFZINUXNUZDPBE-PBHICJAKSA-N 1 2 347.409 3.074 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001007467922 1336653115 /nfs/dbraw/zinc/65/31/15/1336653115.db2.gz CFZINUXNUZDPBE-PBHICJAKSA-N 1 2 347.409 3.074 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2nccc3ccsc32)C1 ZINC001007536014 1336666098 /nfs/dbraw/zinc/66/60/98/1336666098.db2.gz ZNFWYFVIHRDUSV-ZDUSSCGKSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2nccc3ccsc32)C1 ZINC001007536014 1336666101 /nfs/dbraw/zinc/66/61/01/1336666101.db2.gz ZNFWYFVIHRDUSV-ZDUSSCGKSA-N 1 2 335.860 3.243 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1)C1CCC1 ZINC001007594010 1336672750 /nfs/dbraw/zinc/67/27/50/1336672750.db2.gz GPVHJUTVKYGVGK-KDOFPFPSSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1)C1CCC1 ZINC001007594010 1336672753 /nfs/dbraw/zinc/67/27/53/1336672753.db2.gz GPVHJUTVKYGVGK-KDOFPFPSSA-N 1 2 343.446 3.214 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001007635868 1336681674 /nfs/dbraw/zinc/68/16/74/1336681674.db2.gz JOEXETVPVRDWEL-OALUTQOASA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001007635868 1336681677 /nfs/dbraw/zinc/68/16/77/1336681677.db2.gz JOEXETVPVRDWEL-OALUTQOASA-N 1 2 337.467 3.219 20 30 EGEDLO CC1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)CCCC1 ZINC001008103589 1336769959 /nfs/dbraw/zinc/76/99/59/1336769959.db2.gz OFRNRKLUIKULIH-QGZVFWFLSA-N 1 2 343.446 3.358 20 30 EGEDLO CC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)CCCC1 ZINC001008103589 1336769961 /nfs/dbraw/zinc/76/99/61/1336769961.db2.gz OFRNRKLUIKULIH-QGZVFWFLSA-N 1 2 343.446 3.358 20 30 EGEDLO CC1(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccc(Cl)cc3)C2)CCC1 ZINC001008195095 1336789135 /nfs/dbraw/zinc/78/91/35/1336789135.db2.gz FHQOBQOUAGCEBS-SFHVURJKSA-N 1 2 344.886 3.462 20 30 EGEDLO CC1(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)CCC1 ZINC001008195095 1336789139 /nfs/dbraw/zinc/78/91/39/1336789139.db2.gz FHQOBQOUAGCEBS-SFHVURJKSA-N 1 2 344.886 3.462 20 30 EGEDLO CC1(C)CC[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001008450991 1336857410 /nfs/dbraw/zinc/85/74/10/1336857410.db2.gz SAYUZGOPPTXAMZ-QFBILLFUSA-N 1 2 339.483 3.465 20 30 EGEDLO CC1(C)CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001008450991 1336857411 /nfs/dbraw/zinc/85/74/11/1336857411.db2.gz SAYUZGOPPTXAMZ-QFBILLFUSA-N 1 2 339.483 3.465 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001008835803 1336931855 /nfs/dbraw/zinc/93/18/55/1336931855.db2.gz RAVPWQTZMLAFPH-FGTMMUONSA-N 1 2 332.875 3.432 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001008835803 1336931864 /nfs/dbraw/zinc/93/18/64/1336931864.db2.gz RAVPWQTZMLAFPH-FGTMMUONSA-N 1 2 332.875 3.432 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)C2CCC=CCC2)C1 ZINC001009558680 1337037973 /nfs/dbraw/zinc/03/79/73/1337037973.db2.gz INQRDPXVFWBNDQ-HXUWFJFHSA-N 1 2 337.467 3.385 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)C2CCC=CCC2)C1 ZINC001009558680 1337037976 /nfs/dbraw/zinc/03/79/76/1337037976.db2.gz INQRDPXVFWBNDQ-HXUWFJFHSA-N 1 2 337.467 3.385 20 30 EGEDLO Cc1ccsc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001009946357 1337118563 /nfs/dbraw/zinc/11/85/63/1337118563.db2.gz XIAQJHVEXGOTJQ-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1ccsc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001009946357 1337118565 /nfs/dbraw/zinc/11/85/65/1337118565.db2.gz XIAQJHVEXGOTJQ-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)c1cccs1 ZINC001010009952 1337139749 /nfs/dbraw/zinc/13/97/49/1337139749.db2.gz GBVLPWPHPIMZFF-MRXNPFEDSA-N 1 2 344.867 3.257 20 30 EGEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)c1cccs1 ZINC001010009952 1337139751 /nfs/dbraw/zinc/13/97/51/1337139751.db2.gz GBVLPWPHPIMZFF-MRXNPFEDSA-N 1 2 344.867 3.257 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2cc3c(o2)CCCC3)C1 ZINC001014683089 1337869314 /nfs/dbraw/zinc/86/93/14/1337869314.db2.gz RXAZAMFTKBLEGY-SFHVURJKSA-N 1 2 349.434 3.034 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2cc3c(o2)CCCC3)C1 ZINC001014683089 1337869315 /nfs/dbraw/zinc/86/93/15/1337869315.db2.gz RXAZAMFTKBLEGY-SFHVURJKSA-N 1 2 349.434 3.034 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC001015370719 1338114353 /nfs/dbraw/zinc/11/43/53/1338114353.db2.gz KHJGSOAYGYCPTK-AEGPPILISA-N 1 2 340.801 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC001015370719 1338114354 /nfs/dbraw/zinc/11/43/54/1338114354.db2.gz KHJGSOAYGYCPTK-AEGPPILISA-N 1 2 340.801 3.011 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(c3ccc(F)cc3)CCC2)C1 ZINC001015463071 1338149311 /nfs/dbraw/zinc/14/93/11/1338149311.db2.gz VCRZCAFZTYNHKU-MRXNPFEDSA-N 1 2 336.838 3.190 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(c3ccc(F)cc3)CCC2)C1 ZINC001015463071 1338149313 /nfs/dbraw/zinc/14/93/13/1338149313.db2.gz VCRZCAFZTYNHKU-MRXNPFEDSA-N 1 2 336.838 3.190 20 30 EGEDLO CC1(C)CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001015555684 1338178872 /nfs/dbraw/zinc/17/88/72/1338178872.db2.gz DNRDGSSRKLSMHZ-MSOLQXFVSA-N 1 2 325.456 3.075 20 30 EGEDLO CC1(C)CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001015555684 1338178873 /nfs/dbraw/zinc/17/88/73/1338178873.db2.gz DNRDGSSRKLSMHZ-MSOLQXFVSA-N 1 2 325.456 3.075 20 30 EGEDLO CC(C)c1[nH]ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001015585744 1338195000 /nfs/dbraw/zinc/19/50/00/1338195000.db2.gz CHJDCPSLJHCQBG-KRWDZBQOSA-N 1 2 336.439 3.014 20 30 EGEDLO CC(C)c1[nH]ccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001015585744 1338195003 /nfs/dbraw/zinc/19/50/03/1338195003.db2.gz CHJDCPSLJHCQBG-KRWDZBQOSA-N 1 2 336.439 3.014 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2-n2cccc2)C1 ZINC001015651483 1338231309 /nfs/dbraw/zinc/23/13/09/1338231309.db2.gz JMINWIWZPFBGFZ-OAHLLOKOSA-N 1 2 329.831 3.034 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2-n2cccc2)C1 ZINC001015651483 1338231310 /nfs/dbraw/zinc/23/13/10/1338231310.db2.gz JMINWIWZPFBGFZ-OAHLLOKOSA-N 1 2 329.831 3.034 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)CC1 ZINC001015659655 1338238563 /nfs/dbraw/zinc/23/85/63/1338238563.db2.gz GVPXDIDYYLDQNB-INIZCTEOSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cccc(F)c3F)C2)CC1 ZINC001015659655 1338238567 /nfs/dbraw/zinc/23/85/67/1338238567.db2.gz GVPXDIDYYLDQNB-INIZCTEOSA-N 1 2 334.410 3.402 20 30 EGEDLO CC1(C)CC[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)C1 ZINC001015669521 1338246463 /nfs/dbraw/zinc/24/64/63/1338246463.db2.gz CGFRNYAFNIHTGD-NVXWUHKLSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)C1 ZINC001015669521 1338246465 /nfs/dbraw/zinc/24/64/65/1338246465.db2.gz CGFRNYAFNIHTGD-NVXWUHKLSA-N 1 2 343.446 3.214 20 30 EGEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cc(Cl)cs1 ZINC001015787964 1338309339 /nfs/dbraw/zinc/30/93/39/1338309339.db2.gz HYRROLNBQFLSIT-INIZCTEOSA-N 1 2 344.867 3.257 20 30 EGEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cc(Cl)cs1 ZINC001015787964 1338309342 /nfs/dbraw/zinc/30/93/42/1338309342.db2.gz HYRROLNBQFLSIT-INIZCTEOSA-N 1 2 344.867 3.257 20 30 EGEDLO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1)c1ccccc1 ZINC001016008681 1338404144 /nfs/dbraw/zinc/40/41/44/1338404144.db2.gz ALFVPLAZPHBLOE-JXFKEZNVSA-N 1 2 333.435 3.052 20 30 EGEDLO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1)c1ccccc1 ZINC001016008681 1338404148 /nfs/dbraw/zinc/40/41/48/1338404148.db2.gz ALFVPLAZPHBLOE-JXFKEZNVSA-N 1 2 333.435 3.052 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001016034303 1338419382 /nfs/dbraw/zinc/41/93/82/1338419382.db2.gz OOSADRYMOCZFNC-ZVZYQTTQSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001016034303 1338419383 /nfs/dbraw/zinc/41/93/83/1338419383.db2.gz OOSADRYMOCZFNC-ZVZYQTTQSA-N 1 2 343.446 3.214 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)sc1C ZINC001016209528 1338510140 /nfs/dbraw/zinc/51/01/40/1338510140.db2.gz CBDBZQREOPFKMY-CYBMUJFWSA-N 1 2 345.493 3.302 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)sc1C ZINC001016209528 1338510144 /nfs/dbraw/zinc/51/01/44/1338510144.db2.gz CBDBZQREOPFKMY-CYBMUJFWSA-N 1 2 345.493 3.302 20 30 EGEDLO CC1(C)CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001016375728 1338578626 /nfs/dbraw/zinc/57/86/26/1338578626.db2.gz YGEDRHTXSQSOIV-RTBURBONSA-N 1 2 339.483 3.465 20 30 EGEDLO CC1(C)CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001016375728 1338578627 /nfs/dbraw/zinc/57/86/27/1338578627.db2.gz YGEDRHTXSQSOIV-RTBURBONSA-N 1 2 339.483 3.465 20 30 EGEDLO CC(C)c1occc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001016378080 1338581111 /nfs/dbraw/zinc/58/11/11/1338581111.db2.gz MPRVKGDTPHAIEF-KRWDZBQOSA-N 1 2 337.423 3.279 20 30 EGEDLO CC(C)c1occc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001016378080 1338581113 /nfs/dbraw/zinc/58/11/13/1338581113.db2.gz MPRVKGDTPHAIEF-KRWDZBQOSA-N 1 2 337.423 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(C)(F)F)cc2)C1 ZINC001016439951 1338602333 /nfs/dbraw/zinc/60/23/33/1338602333.db2.gz DITFOVDWSNEPTJ-CQSZACIVSA-N 1 2 328.790 3.355 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(C)(F)F)cc2)C1 ZINC001016439951 1338602334 /nfs/dbraw/zinc/60/23/34/1338602334.db2.gz DITFOVDWSNEPTJ-CQSZACIVSA-N 1 2 328.790 3.355 20 30 EGEDLO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2F)cc1 ZINC001017308979 1339325551 /nfs/dbraw/zinc/32/55/51/1339325551.db2.gz WUJZVWHBWZGJHD-HDICACEKSA-N 1 2 349.409 3.186 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2F)cc1 ZINC001017308979 1339325553 /nfs/dbraw/zinc/32/55/53/1339325553.db2.gz WUJZVWHBWZGJHD-HDICACEKSA-N 1 2 349.409 3.186 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2ccccc2cc1F ZINC001017726634 1339404706 /nfs/dbraw/zinc/40/47/06/1339404706.db2.gz NJIHVTATFLCMOP-HDICACEKSA-N 1 2 336.410 3.291 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2ccccc2cc1F ZINC001017726634 1339404707 /nfs/dbraw/zinc/40/47/07/1339404707.db2.gz NJIHVTATFLCMOP-HDICACEKSA-N 1 2 336.410 3.291 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(CC)(CC)c1ccccc1 ZINC001018294052 1339565770 /nfs/dbraw/zinc/56/57/70/1339565770.db2.gz BELXGLVKQQVZGX-BGYRXZFFSA-N 1 2 338.495 3.443 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(CC)(CC)c1ccccc1 ZINC001018294052 1339565773 /nfs/dbraw/zinc/56/57/73/1339565773.db2.gz BELXGLVKQQVZGX-BGYRXZFFSA-N 1 2 338.495 3.443 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001028117553 1340438444 /nfs/dbraw/zinc/43/84/44/1340438444.db2.gz QSZNTAPOSQFXIB-QGZVFWFLSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001028117553 1340438445 /nfs/dbraw/zinc/43/84/45/1340438445.db2.gz QSZNTAPOSQFXIB-QGZVFWFLSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(C)C)nc1C ZINC001028141816 1340450300 /nfs/dbraw/zinc/45/03/00/1340450300.db2.gz RKAPDAUUTFDHFY-OAHLLOKOSA-N 1 2 335.879 3.460 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(C)C)nc1C ZINC001028141816 1340450302 /nfs/dbraw/zinc/45/03/02/1340450302.db2.gz RKAPDAUUTFDHFY-OAHLLOKOSA-N 1 2 335.879 3.460 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cccnc1C(F)(F)F ZINC001028165519 1340462100 /nfs/dbraw/zinc/46/21/00/1340462100.db2.gz XKRAYDPHZATMJU-NSHDSACASA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccnc1C(F)(F)F ZINC001028165519 1340462101 /nfs/dbraw/zinc/46/21/01/1340462101.db2.gz XKRAYDPHZATMJU-NSHDSACASA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1csc(C(C)(C)C)n1 ZINC001028203005 1340482358 /nfs/dbraw/zinc/48/23/58/1340482358.db2.gz MRFGCAQDICTUMD-GFCCVEGCSA-N 1 2 341.908 3.387 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1csc(C(C)(C)C)n1 ZINC001028203005 1340482361 /nfs/dbraw/zinc/48/23/61/1340482361.db2.gz MRFGCAQDICTUMD-GFCCVEGCSA-N 1 2 341.908 3.387 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2nc(C)ccc2c1 ZINC001028212831 1340487497 /nfs/dbraw/zinc/48/74/97/1340487497.db2.gz HLAQQOQYURCUFZ-QGZVFWFLSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2nc(C)ccc2c1 ZINC001028212831 1340487498 /nfs/dbraw/zinc/48/74/98/1340487498.db2.gz HLAQQOQYURCUFZ-QGZVFWFLSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)cn1CC ZINC001028321411 1340562800 /nfs/dbraw/zinc/56/28/00/1340562800.db2.gz ILDYRWFDRBYZAD-ZDUSSCGKSA-N 1 2 330.259 3.108 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)cn1CC ZINC001028321411 1340562804 /nfs/dbraw/zinc/56/28/04/1340562804.db2.gz ILDYRWFDRBYZAD-ZDUSSCGKSA-N 1 2 330.259 3.108 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(N(C)C(C)C)cc1 ZINC001028346576 1340585613 /nfs/dbraw/zinc/58/56/13/1340585613.db2.gz AFQUBENUTUUZFC-SFHVURJKSA-N 1 2 349.906 3.478 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N(C)C(C)C)cc1 ZINC001028346576 1340585615 /nfs/dbraw/zinc/58/56/15/1340585615.db2.gz AFQUBENUTUUZFC-SFHVURJKSA-N 1 2 349.906 3.478 20 30 EGEDLO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1)c1ccc(F)s1 ZINC001028346865 1340586277 /nfs/dbraw/zinc/58/62/77/1340586277.db2.gz IYTQBFCJQNXCSU-INIZCTEOSA-N 1 2 342.439 3.133 20 30 EGEDLO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1)c1ccc(F)s1 ZINC001028346865 1340586281 /nfs/dbraw/zinc/58/62/81/1340586281.db2.gz IYTQBFCJQNXCSU-INIZCTEOSA-N 1 2 342.439 3.133 20 30 EGEDLO CC(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001029216208 1340956482 /nfs/dbraw/zinc/95/64/82/1340956482.db2.gz WYYUYGVDOYHIPW-HDICACEKSA-N 1 2 330.859 3.023 20 30 EGEDLO CC(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001029216208 1340956484 /nfs/dbraw/zinc/95/64/84/1340956484.db2.gz WYYUYGVDOYHIPW-HDICACEKSA-N 1 2 330.859 3.023 20 30 EGEDLO C/C(=C\C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1)C1CC1 ZINC001029231601 1340958872 /nfs/dbraw/zinc/95/88/72/1340958872.db2.gz FBVWBLQDHUROFM-SQKXRSFGSA-N 1 2 334.463 3.070 20 30 EGEDLO C/C(=C\C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1)C1CC1 ZINC001029231601 1340958873 /nfs/dbraw/zinc/95/88/73/1340958873.db2.gz FBVWBLQDHUROFM-SQKXRSFGSA-N 1 2 334.463 3.070 20 30 EGEDLO C/C(=C/C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N)C1CC1 ZINC001029231371 1340958966 /nfs/dbraw/zinc/95/89/66/1340958966.db2.gz BIDUIBPAQBBXGR-LUBKBXRRSA-N 1 2 335.451 3.090 20 30 EGEDLO C/C(=C/C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N)C1CC1 ZINC001029231371 1340958967 /nfs/dbraw/zinc/95/89/67/1340958967.db2.gz BIDUIBPAQBBXGR-LUBKBXRRSA-N 1 2 335.451 3.090 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1oc(CCC)nc1C ZINC001029423365 1340986605 /nfs/dbraw/zinc/98/66/05/1340986605.db2.gz YIPUGJSVTOQHIO-IYBDPMFKSA-N 1 2 345.487 3.323 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1oc(CCC)nc1C ZINC001029423365 1340986606 /nfs/dbraw/zinc/98/66/06/1340986606.db2.gz YIPUGJSVTOQHIO-IYBDPMFKSA-N 1 2 345.487 3.323 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1conc1CC ZINC001029453136 1340993466 /nfs/dbraw/zinc/99/34/66/1340993466.db2.gz KJKYFCZIUJYRMR-JTDSTZFVSA-N 1 2 331.460 3.015 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1conc1CC ZINC001029453136 1340993467 /nfs/dbraw/zinc/99/34/67/1340993467.db2.gz KJKYFCZIUJYRMR-JTDSTZFVSA-N 1 2 331.460 3.015 20 30 EGEDLO O=C(N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1)[C@@]12C[C@@H]1CCCC2 ZINC001029465302 1340996632 /nfs/dbraw/zinc/99/66/32/1340996632.db2.gz NVDVLDSIWRXZMF-QXUYBEEESA-N 1 2 348.490 3.294 20 30 EGEDLO O=C(N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1)[C@@]12C[C@@H]1CCCC2 ZINC001029465302 1340996633 /nfs/dbraw/zinc/99/66/33/1340996633.db2.gz NVDVLDSIWRXZMF-QXUYBEEESA-N 1 2 348.490 3.294 20 30 EGEDLO C[C@@H]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C#N)s2)C1 ZINC001029500198 1341001625 /nfs/dbraw/zinc/00/16/25/1341001625.db2.gz AKLZFKRUZFMINJ-QXSJWSMHSA-N 1 2 343.496 3.231 20 30 EGEDLO C[C@@H]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)s2)C1 ZINC001029500198 1341001626 /nfs/dbraw/zinc/00/16/26/1341001626.db2.gz AKLZFKRUZFMINJ-QXSJWSMHSA-N 1 2 343.496 3.231 20 30 EGEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1CC=CCC1 ZINC001031545670 1341367744 /nfs/dbraw/zinc/36/77/44/1341367744.db2.gz QYDCRJIERJUHPF-GOSISDBHSA-N 1 2 342.870 3.096 20 30 EGEDLO C=Cc1ccc(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)cc1 ZINC001031998988 1341437157 /nfs/dbraw/zinc/43/71/57/1341437157.db2.gz CBKWNJQMTCQIHN-UHFFFAOYSA-N 1 2 349.409 3.202 20 30 EGEDLO C[C@@H]1CC[C@@H](C(=O)NCC2C[NH+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC001032025581 1341441522 /nfs/dbraw/zinc/44/15/22/1341441522.db2.gz VFLMVCPAZXVMLC-CRAIPNDOSA-N 1 2 344.886 3.176 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2[nH]ccc2-c2ccccc2)C1 ZINC001032122193 1341458903 /nfs/dbraw/zinc/45/89/03/1341458903.db2.gz BCRFIDQUFOODII-UHFFFAOYSA-N 1 2 329.831 3.096 20 30 EGEDLO CCc1ccc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)cc1 ZINC001032165719 1341467002 /nfs/dbraw/zinc/46/70/02/1341467002.db2.gz USDIRUVLCOVCLN-UHFFFAOYSA-N 1 2 339.464 3.044 20 30 EGEDLO Cc1csc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)c1 ZINC001032392761 1341506239 /nfs/dbraw/zinc/50/62/39/1341506239.db2.gz POQARBQGDDNYPA-IRXDYDNUSA-N 1 2 337.448 3.027 20 30 EGEDLO Cc1csc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)c1 ZINC001032392761 1341506241 /nfs/dbraw/zinc/50/62/41/1341506241.db2.gz POQARBQGDDNYPA-IRXDYDNUSA-N 1 2 337.448 3.027 20 30 EGEDLO Cc1ccc(C)c(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)c1 ZINC001032753455 1341602913 /nfs/dbraw/zinc/60/29/13/1341602913.db2.gz UCVGNLYGYWTZGP-PMACEKPBSA-N 1 2 345.446 3.274 20 30 EGEDLO Cc1ccc(C)c(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)c1 ZINC001032753455 1341602914 /nfs/dbraw/zinc/60/29/14/1341602914.db2.gz UCVGNLYGYWTZGP-PMACEKPBSA-N 1 2 345.446 3.274 20 30 EGEDLO CC1=CC[C@@](C)(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)CC1 ZINC001032793440 1341615257 /nfs/dbraw/zinc/61/52/57/1341615257.db2.gz CZCQOOLZNPIFCF-JAXLGGSGSA-N 1 2 349.478 3.480 20 30 EGEDLO CC1=CC[C@@](C)(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)CC1 ZINC001032793440 1341615259 /nfs/dbraw/zinc/61/52/59/1341615259.db2.gz CZCQOOLZNPIFCF-JAXLGGSGSA-N 1 2 349.478 3.480 20 30 EGEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)c1ccc(Cl)cc1 ZINC001032797214 1341616777 /nfs/dbraw/zinc/61/67/77/1341616777.db2.gz NDVASMSVYHTOKU-BZSNNMDCSA-N 1 2 330.859 3.142 20 30 EGEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)c1ccc(Cl)cc1 ZINC001032797214 1341616778 /nfs/dbraw/zinc/61/67/78/1341616778.db2.gz NDVASMSVYHTOKU-BZSNNMDCSA-N 1 2 330.859 3.142 20 30 EGEDLO C=C[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cncc(C)c1)c1ccccc1 ZINC001032797421 1341617324 /nfs/dbraw/zinc/61/73/24/1341617324.db2.gz SECRBKOUOLHOGJ-PCCBWWKXSA-N 1 2 347.462 3.145 20 30 EGEDLO C=C[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cncc(C)c1)c1ccccc1 ZINC001032797421 1341617325 /nfs/dbraw/zinc/61/73/25/1341617325.db2.gz SECRBKOUOLHOGJ-PCCBWWKXSA-N 1 2 347.462 3.145 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)CC2CCCC2)C1 ZINC001032877346 1341647509 /nfs/dbraw/zinc/64/75/09/1341647509.db2.gz PRTICFXSJBDMRP-AWEZNQCLSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)CC2CCCC2)C1 ZINC001032877346 1341647510 /nfs/dbraw/zinc/64/75/10/1341647510.db2.gz PRTICFXSJBDMRP-AWEZNQCLSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001032986995 1341686174 /nfs/dbraw/zinc/68/61/74/1341686174.db2.gz JTOFZSNMUMZVQD-LBPRGKRZSA-N 1 2 343.309 3.110 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001032986995 1341686175 /nfs/dbraw/zinc/68/61/75/1341686175.db2.gz JTOFZSNMUMZVQD-LBPRGKRZSA-N 1 2 343.309 3.110 20 30 EGEDLO Cc1csc(C(=O)N(C)[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)c1 ZINC001033057153 1341710724 /nfs/dbraw/zinc/71/07/24/1341710724.db2.gz KXOFEABOKFMVOM-GOSISDBHSA-N 1 2 338.476 3.255 20 30 EGEDLO Cc1csc(C(=O)N(C)[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c1 ZINC001033057153 1341710728 /nfs/dbraw/zinc/71/07/28/1341710728.db2.gz KXOFEABOKFMVOM-GOSISDBHSA-N 1 2 338.476 3.255 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc3scnc32)C1 ZINC001033074564 1341716832 /nfs/dbraw/zinc/71/68/32/1341716832.db2.gz BHAFYJXVMVDAJH-LBPRGKRZSA-N 1 2 335.860 3.195 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3scnc32)C1 ZINC001033074564 1341716833 /nfs/dbraw/zinc/71/68/33/1341716833.db2.gz BHAFYJXVMVDAJH-LBPRGKRZSA-N 1 2 335.860 3.195 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2cncc3ccccc32)C1 ZINC001033166450 1341743305 /nfs/dbraw/zinc/74/33/05/1341743305.db2.gz UPJDNLWDMKDYCP-KRWDZBQOSA-N 1 2 343.858 3.063 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2cncc3ccccc32)C1 ZINC001033166450 1341743306 /nfs/dbraw/zinc/74/33/06/1341743306.db2.gz UPJDNLWDMKDYCP-KRWDZBQOSA-N 1 2 343.858 3.063 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C2(C)CCCC2)C1 ZINC001033300994 1341772741 /nfs/dbraw/zinc/77/27/41/1341772741.db2.gz RXGFPQIZCCEJKK-ZDUSSCGKSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C2(C)CCCC2)C1 ZINC001033300994 1341772742 /nfs/dbraw/zinc/77/27/42/1341772742.db2.gz RXGFPQIZCCEJKK-ZDUSSCGKSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@H]2CC[N@H+](Cc3nc(C)cs3)C2)CC1 ZINC001033389109 1341808127 /nfs/dbraw/zinc/80/81/27/1341808127.db2.gz IYSSBCRVJIZLPW-INIZCTEOSA-N 1 2 333.501 3.231 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@H]2CC[N@@H+](Cc3nc(C)cs3)C2)CC1 ZINC001033389109 1341808130 /nfs/dbraw/zinc/80/81/30/1341808130.db2.gz IYSSBCRVJIZLPW-INIZCTEOSA-N 1 2 333.501 3.231 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@H]2CC[N@H+](Cc3ncc(C)s3)C2)CC1 ZINC001033388924 1341808357 /nfs/dbraw/zinc/80/83/57/1341808357.db2.gz GSZYTCAPRODTLK-INIZCTEOSA-N 1 2 333.501 3.231 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ncc(C)s3)C2)CC1 ZINC001033388924 1341808358 /nfs/dbraw/zinc/80/83/58/1341808358.db2.gz GSZYTCAPRODTLK-INIZCTEOSA-N 1 2 333.501 3.231 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@H+](Cc3nc(C)oc3C)C2)CC1 ZINC001033390087 1341809221 /nfs/dbraw/zinc/80/92/21/1341809221.db2.gz ZTEAMFLESZAUHC-QGZVFWFLSA-N 1 2 331.460 3.071 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3nc(C)oc3C)C2)CC1 ZINC001033390087 1341809223 /nfs/dbraw/zinc/80/92/23/1341809223.db2.gz ZTEAMFLESZAUHC-QGZVFWFLSA-N 1 2 331.460 3.071 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001033394506 1341811346 /nfs/dbraw/zinc/81/13/46/1341811346.db2.gz VZYCOVKDFJCUCZ-KGLIPLIRSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001033394506 1341811347 /nfs/dbraw/zinc/81/13/47/1341811347.db2.gz VZYCOVKDFJCUCZ-KGLIPLIRSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001033403816 1341815866 /nfs/dbraw/zinc/81/58/66/1341815866.db2.gz YLJDRXDXTSOTEH-DZKIICNBSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001033403816 1341815867 /nfs/dbraw/zinc/81/58/67/1341815867.db2.gz YLJDRXDXTSOTEH-DZKIICNBSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3cccc(OC)c32)C1 ZINC001033487478 1341843579 /nfs/dbraw/zinc/84/35/79/1341843579.db2.gz HGYFYYGJSVEGTE-CVEARBPZSA-N 1 2 348.874 3.010 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3cccc(OC)c32)C1 ZINC001033487478 1341843580 /nfs/dbraw/zinc/84/35/80/1341843580.db2.gz HGYFYYGJSVEGTE-CVEARBPZSA-N 1 2 348.874 3.010 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccnc(C3CCCC3)n2)C1 ZINC001033537066 1341862807 /nfs/dbraw/zinc/86/28/07/1341862807.db2.gz PEBBVPNVNLCIJG-OAHLLOKOSA-N 1 2 348.878 3.033 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccnc(C3CCCC3)n2)C1 ZINC001033537066 1341862811 /nfs/dbraw/zinc/86/28/11/1341862811.db2.gz PEBBVPNVNLCIJG-OAHLLOKOSA-N 1 2 348.878 3.033 20 30 EGEDLO CN(C(=O)c1ccc(F)s1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033700603 1341967079 /nfs/dbraw/zinc/96/70/79/1341967079.db2.gz BKPFYZBYWMPOLQ-HNNXBMFYSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C(=O)c1ccc(F)s1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033700603 1341967080 /nfs/dbraw/zinc/96/70/80/1341967080.db2.gz BKPFYZBYWMPOLQ-HNNXBMFYSA-N 1 2 343.427 3.105 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)C2CCCC2)C1 ZINC001033728990 1341980258 /nfs/dbraw/zinc/98/02/58/1341980258.db2.gz YMJPILXYELEFEN-CQSZACIVSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)C2CCCC2)C1 ZINC001033728990 1341980249 /nfs/dbraw/zinc/98/02/49/1341980249.db2.gz YMJPILXYELEFEN-CQSZACIVSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc(COC)c2)C1 ZINC001033887884 1342060760 /nfs/dbraw/zinc/06/07/60/1342060760.db2.gz MOLYKLFRLDFUCS-QGZVFWFLSA-N 1 2 336.863 3.122 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(COC)c2)C1 ZINC001033887884 1342060764 /nfs/dbraw/zinc/06/07/64/1342060764.db2.gz MOLYKLFRLDFUCS-QGZVFWFLSA-N 1 2 336.863 3.122 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc(C)n(CC)c2C)C1 ZINC001033889107 1342061424 /nfs/dbraw/zinc/06/14/24/1342061424.db2.gz VLZVLKMKINGWBW-INIZCTEOSA-N 1 2 337.895 3.414 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C)n(CC)c2C)C1 ZINC001033889107 1342061428 /nfs/dbraw/zinc/06/14/28/1342061428.db2.gz VLZVLKMKINGWBW-INIZCTEOSA-N 1 2 337.895 3.414 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cn(C)c3ccccc23)C1 ZINC001033894490 1342067117 /nfs/dbraw/zinc/06/71/17/1342067117.db2.gz YEXPQVREHXOVMN-OAHLLOKOSA-N 1 2 345.874 3.467 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cn(C)c3ccccc23)C1 ZINC001033894490 1342067120 /nfs/dbraw/zinc/06/71/20/1342067120.db2.gz YEXPQVREHXOVMN-OAHLLOKOSA-N 1 2 345.874 3.467 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2nccc3occc32)C1 ZINC001033904552 1342077220 /nfs/dbraw/zinc/07/72/20/1342077220.db2.gz VBEKDOVIMRPXQH-CYBMUJFWSA-N 1 2 333.819 3.117 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2nccc3occc32)C1 ZINC001033904552 1342077224 /nfs/dbraw/zinc/07/72/24/1342077224.db2.gz VBEKDOVIMRPXQH-CYBMUJFWSA-N 1 2 333.819 3.117 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)CC2CCC2)C1 ZINC001034140885 1342266966 /nfs/dbraw/zinc/26/69/66/1342266966.db2.gz BZZSYBVPIJXQFV-CQSZACIVSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)CC2CCC2)C1 ZINC001034140885 1342266969 /nfs/dbraw/zinc/26/69/69/1342266969.db2.gz BZZSYBVPIJXQFV-CQSZACIVSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001034325145 1342400675 /nfs/dbraw/zinc/40/06/75/1342400675.db2.gz SJBOCHWLFQJLQM-IIAWOOMASA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001034325145 1342400676 /nfs/dbraw/zinc/40/06/76/1342400676.db2.gz SJBOCHWLFQJLQM-IIAWOOMASA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001034356215 1342427462 /nfs/dbraw/zinc/42/74/62/1342427462.db2.gz QRMZLOAIUZUAFB-AWEZNQCLSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001034356215 1342427464 /nfs/dbraw/zinc/42/74/64/1342427464.db2.gz QRMZLOAIUZUAFB-AWEZNQCLSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@@H+](Cc3coc(C)n3)C2)CC1 ZINC001034381667 1342450463 /nfs/dbraw/zinc/45/04/63/1342450463.db2.gz OTOJUBIHOHGJIG-QGZVFWFLSA-N 1 2 331.460 3.200 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@H+](Cc3coc(C)n3)C2)CC1 ZINC001034381667 1342450466 /nfs/dbraw/zinc/45/04/66/1342450466.db2.gz OTOJUBIHOHGJIG-QGZVFWFLSA-N 1 2 331.460 3.200 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC001034436767 1342498814 /nfs/dbraw/zinc/49/88/14/1342498814.db2.gz CDGFXPNOACYKCE-ZDUSSCGKSA-N 1 2 325.840 3.135 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC001034436767 1342498815 /nfs/dbraw/zinc/49/88/15/1342498815.db2.gz CDGFXPNOACYKCE-ZDUSSCGKSA-N 1 2 325.840 3.135 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCCC1(F)F)CC2 ZINC001035757983 1343173792 /nfs/dbraw/zinc/17/37/92/1343173792.db2.gz RXHCQHVJLSOFHR-AWEZNQCLSA-N 1 2 346.849 3.489 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C1(C(F)(F)F)CC1)CC2 ZINC001035806119 1343207693 /nfs/dbraw/zinc/20/76/93/1343207693.db2.gz UDVQHEHEQGUYAP-UHFFFAOYSA-N 1 2 336.785 3.006 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)COc1ccccc1C)CC2 ZINC001035846118 1343227056 /nfs/dbraw/zinc/22/70/56/1343227056.db2.gz ZWSHCHCLJSZVFB-UHFFFAOYSA-N 1 2 348.874 3.051 20 30 EGEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C1CCC2(CC2)CC1 ZINC001038518508 1344462922 /nfs/dbraw/zinc/46/29/22/1344462922.db2.gz RGNLNSAMANGEDG-FQEVSTJZSA-N 1 2 336.479 3.199 20 30 EGEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C1CCC2(CC2)CC1 ZINC001038518508 1344462926 /nfs/dbraw/zinc/46/29/26/1344462926.db2.gz RGNLNSAMANGEDG-FQEVSTJZSA-N 1 2 336.479 3.199 20 30 EGEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1CCCCC1(F)F ZINC001038551701 1344480692 /nfs/dbraw/zinc/48/06/92/1344480692.db2.gz BNPFINPZMCUPGD-MSOLQXFVSA-N 1 2 346.421 3.054 20 30 EGEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1CCCCC1(F)F ZINC001038551701 1344480695 /nfs/dbraw/zinc/48/06/95/1344480695.db2.gz BNPFINPZMCUPGD-MSOLQXFVSA-N 1 2 346.421 3.054 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+]2Cc2cc(F)ccc2OC)CC1 ZINC001038665613 1344530431 /nfs/dbraw/zinc/53/04/31/1344530431.db2.gz FKOCWWUOUYYDRT-SFHVURJKSA-N 1 2 346.446 3.271 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cc(F)ccc2OC)CC1 ZINC001038665613 1344530433 /nfs/dbraw/zinc/53/04/33/1344530433.db2.gz FKOCWWUOUYYDRT-SFHVURJKSA-N 1 2 346.446 3.271 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]2Cc2cnn(C(C)(C)C)c2)CC1 ZINC001038669099 1344533092 /nfs/dbraw/zinc/53/30/92/1344533092.db2.gz ZJKYYUUAEHALJJ-GOSISDBHSA-N 1 2 344.503 3.075 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2Cc2cnn(C(C)(C)C)c2)CC1 ZINC001038669099 1344533095 /nfs/dbraw/zinc/53/30/95/1344533095.db2.gz ZJKYYUUAEHALJJ-GOSISDBHSA-N 1 2 344.503 3.075 20 30 EGEDLO Cc1ccc(F)c(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)c1 ZINC001038748052 1344565384 /nfs/dbraw/zinc/56/53/84/1344565384.db2.gz DSCNPGHJTRFRML-QGZVFWFLSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1ccc(F)c(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)c1 ZINC001038748052 1344565387 /nfs/dbraw/zinc/56/53/87/1344565387.db2.gz DSCNPGHJTRFRML-QGZVFWFLSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cccc(C(=O)NC[C@H]2CC[N@@H+]2CC#Cc2ccccc2)c1C ZINC001038972871 1344689470 /nfs/dbraw/zinc/68/94/70/1344689470.db2.gz MKHMYUJFNUCHAI-HXUWFJFHSA-N 1 2 332.447 3.159 20 30 EGEDLO Cc1cccc(C(=O)NC[C@H]2CC[N@H+]2CC#Cc2ccccc2)c1C ZINC001038972871 1344689472 /nfs/dbraw/zinc/68/94/72/1344689472.db2.gz MKHMYUJFNUCHAI-HXUWFJFHSA-N 1 2 332.447 3.159 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccc(C(F)F)o2)c1 ZINC001038980343 1344694896 /nfs/dbraw/zinc/69/48/96/1344694896.db2.gz YNRNMEDUPLLXEA-CQSZACIVSA-N 1 2 345.349 3.093 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccc(C(F)F)o2)c1 ZINC001038980343 1344694899 /nfs/dbraw/zinc/69/48/99/1344694899.db2.gz YNRNMEDUPLLXEA-CQSZACIVSA-N 1 2 345.349 3.093 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1Cl ZINC001039460964 1345079586 /nfs/dbraw/zinc/07/95/86/1345079586.db2.gz PPBUKQUQUPZQGR-OLZOCXBDSA-N 1 2 340.254 3.166 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1Cl ZINC001039460964 1345079590 /nfs/dbraw/zinc/07/95/90/1345079590.db2.gz PPBUKQUQUPZQGR-OLZOCXBDSA-N 1 2 340.254 3.166 20 30 EGEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(Cl)c1 ZINC001039532109 1345132277 /nfs/dbraw/zinc/13/22/77/1345132277.db2.gz HMPRCGAFEIVGDW-RRQGHBQHSA-N 1 2 331.847 3.065 20 30 EGEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(Cl)c1 ZINC001039532109 1345132282 /nfs/dbraw/zinc/13/22/82/1345132282.db2.gz HMPRCGAFEIVGDW-RRQGHBQHSA-N 1 2 331.847 3.065 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](C/C(Cl)=C\Cl)[C@H]2C1 ZINC001042181181 1345969411 /nfs/dbraw/zinc/96/94/11/1345969411.db2.gz DQJBIVOMVHGCDM-GANVNIMBSA-N 1 2 331.287 3.440 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](C/C(Cl)=C\Cl)[C@H]2C1 ZINC001042181181 1345969413 /nfs/dbraw/zinc/96/94/13/1345969413.db2.gz DQJBIVOMVHGCDM-GANVNIMBSA-N 1 2 331.287 3.440 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3ncc(C(C)C)o3)[C@H]2C1 ZINC001042181081 1345969853 /nfs/dbraw/zinc/96/98/53/1345969853.db2.gz CTYOHBHSXMASGK-HOTGVXAUSA-N 1 2 345.487 3.433 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3ncc(C(C)C)o3)[C@H]2C1 ZINC001042181081 1345969857 /nfs/dbraw/zinc/96/98/57/1345969857.db2.gz CTYOHBHSXMASGK-HOTGVXAUSA-N 1 2 345.487 3.433 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3scnc3Cl)C[C@H]21 ZINC001042360230 1346054599 /nfs/dbraw/zinc/05/45/99/1346054599.db2.gz PRFSBCGTCCWUKT-GHMZBOCLSA-N 1 2 346.283 3.085 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3scnc3Cl)C[C@H]21 ZINC001042360230 1346054601 /nfs/dbraw/zinc/05/46/01/1346054601.db2.gz PRFSBCGTCCWUKT-GHMZBOCLSA-N 1 2 346.283 3.085 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](CCOc3ccc(Cl)cc3)C2)C1 ZINC001043796764 1346210824 /nfs/dbraw/zinc/21/08/24/1346210824.db2.gz SHECDIVTFDVNOS-UHFFFAOYSA-N 1 2 348.874 3.218 20 30 EGEDLO O=C(C1CC1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1Cl ZINC001045692713 1346667659 /nfs/dbraw/zinc/66/76/59/1346667659.db2.gz ZLCFRGYVQYRBJK-MSOLQXFVSA-N 1 2 342.870 3.167 20 30 EGEDLO O=C(C1CC1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1Cl ZINC001045692713 1346667661 /nfs/dbraw/zinc/66/76/61/1346667661.db2.gz ZLCFRGYVQYRBJK-MSOLQXFVSA-N 1 2 342.870 3.167 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)on1 ZINC001045824347 1346709108 /nfs/dbraw/zinc/70/91/08/1346709108.db2.gz HDGKOAYKMZEKJO-SJORKVTESA-N 1 2 331.460 3.151 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)on1 ZINC001045824347 1346709109 /nfs/dbraw/zinc/70/91/09/1346709109.db2.gz HDGKOAYKMZEKJO-SJORKVTESA-N 1 2 331.460 3.151 20 30 EGEDLO C[C@]1(NC(=O)[C@@H]2CC=CCC2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046137799 1346865024 /nfs/dbraw/zinc/86/50/24/1346865024.db2.gz OPPGWQMROMDEAR-QRWLVFNGSA-N 1 2 341.430 3.134 20 30 EGEDLO C[C@]1(NC(=O)[C@@H]2CC=CCC2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046137799 1346865027 /nfs/dbraw/zinc/86/50/27/1346865027.db2.gz OPPGWQMROMDEAR-QRWLVFNGSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC001046378410 1346955582 /nfs/dbraw/zinc/95/55/82/1346955582.db2.gz OERUCCSZVMXDER-PWKXAEOISA-N 1 2 336.907 3.392 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC001046378410 1346955583 /nfs/dbraw/zinc/95/55/83/1346955583.db2.gz OERUCCSZVMXDER-PWKXAEOISA-N 1 2 336.907 3.392 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(-c3ccccc3)on2)C1 ZINC001046460460 1346981758 /nfs/dbraw/zinc/98/17/58/1346981758.db2.gz FMJSBORQHHYSAC-SFHVURJKSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(-c3ccccc3)on2)C1 ZINC001046460460 1346981761 /nfs/dbraw/zinc/98/17/61/1346981761.db2.gz FMJSBORQHHYSAC-SFHVURJKSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cncc3sccc32)C1 ZINC001046570952 1347022052 /nfs/dbraw/zinc/02/20/52/1347022052.db2.gz IHCZKSJLEJZMBZ-MRXNPFEDSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cncc3sccc32)C1 ZINC001046570952 1347022055 /nfs/dbraw/zinc/02/20/55/1347022055.db2.gz IHCZKSJLEJZMBZ-MRXNPFEDSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C1CCC(C(=O)N[C@@]2(C)CC[N@@H+](Cc3nc(C)oc3C)C2)CC1 ZINC001046594375 1347030643 /nfs/dbraw/zinc/03/06/43/1347030643.db2.gz HCXGQCHAQHFANO-IBGZPJMESA-N 1 2 331.460 3.118 20 30 EGEDLO C=C1CCC(C(=O)N[C@@]2(C)CC[N@H+](Cc3nc(C)oc3C)C2)CC1 ZINC001046594375 1347030646 /nfs/dbraw/zinc/03/06/46/1347030646.db2.gz HCXGQCHAQHFANO-IBGZPJMESA-N 1 2 331.460 3.118 20 30 EGEDLO CCc1ccoc1C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046595314 1347031378 /nfs/dbraw/zinc/03/13/78/1347031378.db2.gz DUCUACJOJZKQRB-HXUWFJFHSA-N 1 2 337.423 3.108 20 30 EGEDLO CCc1ccoc1C(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046595314 1347031381 /nfs/dbraw/zinc/03/13/81/1347031381.db2.gz DUCUACJOJZKQRB-HXUWFJFHSA-N 1 2 337.423 3.108 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2oc(CC(C)C)nc2C)C1 ZINC001046688027 1347062453 /nfs/dbraw/zinc/06/24/53/1347062453.db2.gz MLGYHKOWAYVKOG-QGZVFWFLSA-N 1 2 339.867 3.128 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2oc(CC(C)C)nc2C)C1 ZINC001046688027 1347062455 /nfs/dbraw/zinc/06/24/55/1347062455.db2.gz MLGYHKOWAYVKOG-QGZVFWFLSA-N 1 2 339.867 3.128 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC23CCCC3)C1 ZINC001046754250 1347085088 /nfs/dbraw/zinc/08/50/88/1347085088.db2.gz OUMYWTDYZISRLR-HIFRSBDPSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC23CCCC3)C1 ZINC001046754250 1347085089 /nfs/dbraw/zinc/08/50/89/1347085089.db2.gz OUMYWTDYZISRLR-HIFRSBDPSA-N 1 2 341.293 3.056 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1ccoc1Cl ZINC001079632001 1357333173 /nfs/dbraw/zinc/33/31/73/1357333173.db2.gz GJOASTQISZXFNV-MLGOLLRUSA-N 1 2 343.814 3.055 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1ccoc1Cl ZINC001079632001 1357333176 /nfs/dbraw/zinc/33/31/76/1357333176.db2.gz GJOASTQISZXFNV-MLGOLLRUSA-N 1 2 343.814 3.055 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(Cl)cn2CC)C1 ZINC001046843036 1347127249 /nfs/dbraw/zinc/12/72/49/1347127249.db2.gz PZYINHGBMWTQAP-OAHLLOKOSA-N 1 2 330.259 3.108 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(Cl)cn2CC)C1 ZINC001046843036 1347127252 /nfs/dbraw/zinc/12/72/52/1347127252.db2.gz PZYINHGBMWTQAP-OAHLLOKOSA-N 1 2 330.259 3.108 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccoc2C(F)(F)F)C1 ZINC001079766109 1357374573 /nfs/dbraw/zinc/37/45/73/1357374573.db2.gz RJXJXSHXHFNANM-LDYMZIIASA-N 1 2 336.741 3.101 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccoc2C(F)(F)F)C1 ZINC001079766109 1357374578 /nfs/dbraw/zinc/37/45/78/1357374578.db2.gz RJXJXSHXHFNANM-LDYMZIIASA-N 1 2 336.741 3.101 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(F)=C(C)C ZINC001049413846 1347836916 /nfs/dbraw/zinc/83/69/16/1347836916.db2.gz AVGHXMWKFZAPMY-CHWSQXEVSA-N 1 2 345.256 3.224 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(F)=C(C)C ZINC001049413846 1347836919 /nfs/dbraw/zinc/83/69/19/1347836919.db2.gz AVGHXMWKFZAPMY-CHWSQXEVSA-N 1 2 345.256 3.224 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1nccs1 ZINC001049632941 1347944539 /nfs/dbraw/zinc/94/45/39/1347944539.db2.gz CTHAQMBRIGCQTA-HUUCEWRRSA-N 1 2 333.501 3.311 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1nccs1 ZINC001049632941 1347944540 /nfs/dbraw/zinc/94/45/40/1347944540.db2.gz CTHAQMBRIGCQTA-HUUCEWRRSA-N 1 2 333.501 3.311 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)C ZINC001049856261 1348063047 /nfs/dbraw/zinc/06/30/47/1348063047.db2.gz DIYVCIAOJLJYHM-CHWSQXEVSA-N 1 2 329.282 3.006 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)C ZINC001049856261 1348063051 /nfs/dbraw/zinc/06/30/51/1348063051.db2.gz DIYVCIAOJLJYHM-CHWSQXEVSA-N 1 2 329.282 3.006 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(F)s1 ZINC001049926897 1348117818 /nfs/dbraw/zinc/11/78/18/1348117818.db2.gz SJHKOCJGZDRTOR-VXGBXAGGSA-N 1 2 328.840 3.319 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(F)s1 ZINC001049926897 1348117819 /nfs/dbraw/zinc/11/78/19/1348117819.db2.gz SJHKOCJGZDRTOR-VXGBXAGGSA-N 1 2 328.840 3.319 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C(C)C)oc1C ZINC001051187528 1348400667 /nfs/dbraw/zinc/40/06/67/1348400667.db2.gz YNHNUFTZLYNACP-INIZCTEOSA-N 1 2 334.460 3.108 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C(C)C)oc1C ZINC001051187528 1348400668 /nfs/dbraw/zinc/40/06/68/1348400668.db2.gz YNHNUFTZLYNACP-INIZCTEOSA-N 1 2 334.460 3.108 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(C2=CCCC2)cc1 ZINC001051275780 1348414228 /nfs/dbraw/zinc/41/42/28/1348414228.db2.gz WKAWQFLZRFLHFU-HXUWFJFHSA-N 1 2 340.467 3.261 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(C2=CCCC2)cc1 ZINC001051275780 1348414231 /nfs/dbraw/zinc/41/42/31/1348414231.db2.gz WKAWQFLZRFLHFU-HXUWFJFHSA-N 1 2 340.467 3.261 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)C1CCCCCCC1)O2 ZINC001053625615 1349080425 /nfs/dbraw/zinc/08/04/25/1349080425.db2.gz AOMHJUMKRXRXAQ-GOSISDBHSA-N 1 2 334.504 3.273 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc3ccccc3s1)CO2 ZINC001053860067 1349118380 /nfs/dbraw/zinc/11/83/80/1349118380.db2.gz UFPPQGDMSGLVDZ-HNNXBMFYSA-N 1 2 342.464 3.051 20 30 EGEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C)cs1 ZINC001054040652 1349135661 /nfs/dbraw/zinc/13/56/61/1349135661.db2.gz ZOEGDAUYNBLUAX-GOSISDBHSA-N 1 2 338.476 3.237 20 30 EGEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C)cs1 ZINC001054040652 1349135662 /nfs/dbraw/zinc/13/56/62/1349135662.db2.gz ZOEGDAUYNBLUAX-GOSISDBHSA-N 1 2 338.476 3.237 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001054041189 1349136191 /nfs/dbraw/zinc/13/61/91/1349136191.db2.gz JEKKCMOMYNIGEH-CTNGQTDRSA-N 1 2 336.479 3.299 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001054041189 1349136196 /nfs/dbraw/zinc/13/61/96/1349136196.db2.gz JEKKCMOMYNIGEH-CTNGQTDRSA-N 1 2 336.479 3.299 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1c(C)cccc1C ZINC001054053070 1349140105 /nfs/dbraw/zinc/14/01/05/1349140105.db2.gz LKSWZLUKPANFDR-HXUWFJFHSA-N 1 2 332.447 3.093 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1c(C)cccc1C ZINC001054053070 1349140111 /nfs/dbraw/zinc/14/01/11/1349140111.db2.gz LKSWZLUKPANFDR-HXUWFJFHSA-N 1 2 332.447 3.093 20 30 EGEDLO C[C@H]1C[C@H]1C(=O)NCc1ccc2c(c1)C[N@@H+](CC#Cc1ccccc1)C2 ZINC001054253887 1349248672 /nfs/dbraw/zinc/24/86/72/1349248672.db2.gz KCOHYGAXIGGFLV-HTAPYJJXSA-N 1 2 344.458 3.326 20 30 EGEDLO C[C@H]1C[C@H]1C(=O)NCc1ccc2c(c1)C[N@H+](CC#Cc1ccccc1)C2 ZINC001054253887 1349248675 /nfs/dbraw/zinc/24/86/75/1349248675.db2.gz KCOHYGAXIGGFLV-HTAPYJJXSA-N 1 2 344.458 3.326 20 30 EGEDLO C[C@H]1C[C@@H]1C(=O)NCc1ccc2c(c1)C[N@@H+](CC#Cc1ccccc1)C2 ZINC001054253888 1349248925 /nfs/dbraw/zinc/24/89/25/1349248925.db2.gz KCOHYGAXIGGFLV-JTSKRJEESA-N 1 2 344.458 3.326 20 30 EGEDLO C[C@H]1C[C@@H]1C(=O)NCc1ccc2c(c1)C[N@H+](CC#Cc1ccccc1)C2 ZINC001054253888 1349248929 /nfs/dbraw/zinc/24/89/29/1349248929.db2.gz KCOHYGAXIGGFLV-JTSKRJEESA-N 1 2 344.458 3.326 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3sccc3Cl)cc2C1 ZINC001054266203 1349263986 /nfs/dbraw/zinc/26/39/86/1349263986.db2.gz QIHPPEGTWNGZFR-UHFFFAOYSA-N 1 2 330.840 3.280 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3sccc3Cl)cc2C1 ZINC001054266203 1349263989 /nfs/dbraw/zinc/26/39/89/1349263989.db2.gz QIHPPEGTWNGZFR-UHFFFAOYSA-N 1 2 330.840 3.280 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc4c(c3)CCC4)cc2C1 ZINC001054291554 1349297284 /nfs/dbraw/zinc/29/72/84/1349297284.db2.gz VOFDFMSGRVNJMZ-UHFFFAOYSA-N 1 2 330.431 3.054 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc4c(c3)CCC4)cc2C1 ZINC001054291554 1349297288 /nfs/dbraw/zinc/29/72/88/1349297288.db2.gz VOFDFMSGRVNJMZ-UHFFFAOYSA-N 1 2 330.431 3.054 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)cc(OC)c2C)C1 ZINC001080048872 1357467297 /nfs/dbraw/zinc/46/72/97/1357467297.db2.gz VJCVPWMREUOQHA-MLGOLLRUSA-N 1 2 336.863 3.115 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)cc(OC)c2C)C1 ZINC001080048872 1357467298 /nfs/dbraw/zinc/46/72/98/1357467298.db2.gz VJCVPWMREUOQHA-MLGOLLRUSA-N 1 2 336.863 3.115 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001055916865 1349707213 /nfs/dbraw/zinc/70/72/13/1349707213.db2.gz HYJIRFBZMNUUJF-UHFFFAOYSA-N 1 2 348.878 3.090 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@@H](N(C)c3cc(C)[nH+]c(C4CC4)n3)C2)C1 ZINC001057024185 1349977423 /nfs/dbraw/zinc/97/74/23/1349977423.db2.gz RVICVYZHHNHHQR-MRXNPFEDSA-N 1 2 340.471 3.056 20 30 EGEDLO C=C1CCC(C(=O)N2CCC(CNc3cc[nH+]c(C)n3)CC2)CC1 ZINC001057536584 1350070942 /nfs/dbraw/zinc/07/09/42/1350070942.db2.gz CAAYAQYKOKPOAW-UHFFFAOYSA-N 1 2 328.460 3.182 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(Cl)n3)C[C@H]2C)C1 ZINC001080404686 1357608422 /nfs/dbraw/zinc/60/84/22/1357608422.db2.gz UTMYXKZLNZSHAM-UKRRQHHQSA-N 1 2 333.863 3.028 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3cccc(Cl)n3)C[C@H]2C)C1 ZINC001080404686 1357608424 /nfs/dbraw/zinc/60/84/24/1357608424.db2.gz UTMYXKZLNZSHAM-UKRRQHHQSA-N 1 2 333.863 3.028 20 30 EGEDLO C=C1CCC(C(=O)N[C@]2(C)CCN(c3nc(C)[nH+]c(C)c3C)C2)CC1 ZINC001065325777 1352769680 /nfs/dbraw/zinc/76/96/80/1352769680.db2.gz IADNZPIDJVNGPU-HXUWFJFHSA-N 1 2 342.487 3.233 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CCCC[C@H]3CC)c2C1 ZINC001069879827 1354292473 /nfs/dbraw/zinc/29/24/73/1354292473.db2.gz VIWZKJRKCRZNQV-AEFFLSMTSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CCCC[C@H]3CC)c2C1 ZINC001069879827 1354292477 /nfs/dbraw/zinc/29/24/77/1354292477.db2.gz VIWZKJRKCRZNQV-AEFFLSMTSA-N 1 2 344.503 3.107 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)CC2CC2)C[N@@H+]1CC#Cc1ccccc1Cl ZINC001071308355 1354566146 /nfs/dbraw/zinc/56/61/46/1354566146.db2.gz SNBZFLONWYLYSK-CRAIPNDOSA-N 1 2 344.886 3.461 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)CC2CC2)C[N@H+]1CC#Cc1ccccc1Cl ZINC001071308355 1354566148 /nfs/dbraw/zinc/56/61/48/1354566148.db2.gz SNBZFLONWYLYSK-CRAIPNDOSA-N 1 2 344.886 3.461 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)c2cccs2)C[N@@H+]1Cc1ccc(C#N)s1 ZINC001071329282 1354593955 /nfs/dbraw/zinc/59/39/55/1354593955.db2.gz JJEJEEHBILWIOC-QWHCGFSZSA-N 1 2 345.493 3.464 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)c2cccs2)C[N@H+]1Cc1ccc(C#N)s1 ZINC001071329282 1354593958 /nfs/dbraw/zinc/59/39/58/1354593958.db2.gz JJEJEEHBILWIOC-QWHCGFSZSA-N 1 2 345.493 3.464 20 30 EGEDLO Cc1ccoc1C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001071352963 1354622783 /nfs/dbraw/zinc/62/27/83/1354622783.db2.gz YQNUDSAIRBECOB-KGLIPLIRSA-N 1 2 343.452 3.304 20 30 EGEDLO Cc1ccoc1C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C#N)s2)C1 ZINC001071352963 1354622789 /nfs/dbraw/zinc/62/27/89/1354622789.db2.gz YQNUDSAIRBECOB-KGLIPLIRSA-N 1 2 343.452 3.304 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2coc(-c3ccccc3)n2)C1 ZINC001080798483 1357739098 /nfs/dbraw/zinc/73/90/98/1357739098.db2.gz JVSVPQXKEGOAJC-IUODEOHRSA-N 1 2 345.830 3.144 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2coc(-c3ccccc3)n2)C1 ZINC001080798483 1357739102 /nfs/dbraw/zinc/73/91/02/1357739102.db2.gz JVSVPQXKEGOAJC-IUODEOHRSA-N 1 2 345.830 3.144 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccc3c2COCC3)CC[C@@H]1C ZINC001071564104 1354765824 /nfs/dbraw/zinc/76/58/24/1354765824.db2.gz AAIQCCXFHSHCHC-GOEBONIOSA-N 1 2 348.874 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cccc3c2COCC3)CC[C@@H]1C ZINC001071564104 1354765827 /nfs/dbraw/zinc/76/58/27/1354765827.db2.gz AAIQCCXFHSHCHC-GOEBONIOSA-N 1 2 348.874 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc(C(C)C)on2)CC[C@@H]1C ZINC001071705266 1354863592 /nfs/dbraw/zinc/86/35/92/1354863592.db2.gz MSQVQGPJXXHXRI-STQMWFEESA-N 1 2 325.840 3.133 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc(C(C)C)on2)CC[C@@H]1C ZINC001071705266 1354863597 /nfs/dbraw/zinc/86/35/97/1354863597.db2.gz MSQVQGPJXXHXRI-STQMWFEESA-N 1 2 325.840 3.133 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3cc(C)on3)C2)CC1 ZINC001071789892 1354935969 /nfs/dbraw/zinc/93/59/69/1354935969.db2.gz ZWTUTFJWWTWFCY-RHSMWYFYSA-N 1 2 331.460 3.199 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3cc(C)on3)C2)CC1 ZINC001071789892 1354935971 /nfs/dbraw/zinc/93/59/71/1354935971.db2.gz ZWTUTFJWWTWFCY-RHSMWYFYSA-N 1 2 331.460 3.199 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2nc(C3CC3)oc2C)CC[C@@H]1C ZINC001071947140 1355037183 /nfs/dbraw/zinc/03/71/83/1355037183.db2.gz NRRGUXWJCREHRP-FZMZJTMJSA-N 1 2 337.851 3.196 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2nc(C3CC3)oc2C)CC[C@@H]1C ZINC001071947140 1355037185 /nfs/dbraw/zinc/03/71/85/1355037185.db2.gz NRRGUXWJCREHRP-FZMZJTMJSA-N 1 2 337.851 3.196 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc(C)cc2OC)CC[C@H]1C ZINC001072003533 1355068091 /nfs/dbraw/zinc/06/80/91/1355068091.db2.gz VBDDHMIIPNVFJM-HUUCEWRRSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc(C)cc2OC)CC[C@H]1C ZINC001072003533 1355068093 /nfs/dbraw/zinc/06/80/93/1355068093.db2.gz VBDDHMIIPNVFJM-HUUCEWRRSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccccc2N(C)C)CC[C@@H]1C ZINC001072116208 1355140833 /nfs/dbraw/zinc/14/08/33/1355140833.db2.gz JJMFHWCQCYYVGU-GJZGRUSLSA-N 1 2 335.879 3.088 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccccc2N(C)C)CC[C@@H]1C ZINC001072116208 1355140834 /nfs/dbraw/zinc/14/08/34/1355140834.db2.gz JJMFHWCQCYYVGU-GJZGRUSLSA-N 1 2 335.879 3.088 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2cccc(C3CC3)c2)C1 ZINC001073904648 1355948644 /nfs/dbraw/zinc/94/86/44/1355948644.db2.gz KOJTWIHSDROQML-GOSISDBHSA-N 1 2 348.874 3.137 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2cccc(C3CC3)c2)C1 ZINC001073904648 1355948649 /nfs/dbraw/zinc/94/86/49/1355948649.db2.gz KOJTWIHSDROQML-GOSISDBHSA-N 1 2 348.874 3.137 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4ncc(CC)o4)C[C@H]32)CC1 ZINC001076208580 1356519694 /nfs/dbraw/zinc/51/96/94/1356519694.db2.gz AIJCHHYZGBZYNT-FUHWJXTLSA-N 1 2 343.471 3.016 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4ncc(CC)o4)C[C@H]32)CC1 ZINC001076208580 1356519699 /nfs/dbraw/zinc/51/96/99/1356519699.db2.gz AIJCHHYZGBZYNT-FUHWJXTLSA-N 1 2 343.471 3.016 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3coc4ccccc34)[C@@H]2C1 ZINC001076636404 1356639228 /nfs/dbraw/zinc/63/92/28/1356639228.db2.gz CXAHXXFPRASHJM-XJKSGUPXSA-N 1 2 330.815 3.332 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3coc4ccccc34)[C@@H]2C1 ZINC001076636404 1356639230 /nfs/dbraw/zinc/63/92/30/1356639230.db2.gz CXAHXXFPRASHJM-XJKSGUPXSA-N 1 2 330.815 3.332 20 30 EGEDLO C=CC(C)(C)CC(=O)NCC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001076688670 1356652701 /nfs/dbraw/zinc/65/27/01/1356652701.db2.gz VRTGBRDZTLSCQJ-AWEZNQCLSA-N 1 2 345.487 3.234 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001080754157 1357732725 /nfs/dbraw/zinc/73/27/25/1357732725.db2.gz BIAFEXVTRUFZDR-UXIGCNINSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001080754157 1357732722 /nfs/dbraw/zinc/73/27/22/1357732722.db2.gz BIAFEXVTRUFZDR-UXIGCNINSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](Cc3ncoc3C(C)C)C[C@H]21 ZINC001084634884 1358263028 /nfs/dbraw/zinc/26/30/28/1358263028.db2.gz ILRHCWBIIQQUJC-MDYRTPRTSA-N 1 2 345.487 3.433 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](Cc3ncoc3C(C)C)C[C@H]21 ZINC001084634884 1358263032 /nfs/dbraw/zinc/26/30/32/1358263032.db2.gz ILRHCWBIIQQUJC-MDYRTPRTSA-N 1 2 345.487 3.433 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(CC(C)C)c[nH]3)[C@@H]2C1 ZINC001084778380 1358307030 /nfs/dbraw/zinc/30/70/30/1358307030.db2.gz UWAWWKANSURQIR-NVXWUHKLSA-N 1 2 335.879 3.112 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(CC(C)C)c[nH]3)[C@@H]2C1 ZINC001084778380 1358307032 /nfs/dbraw/zinc/30/70/32/1358307032.db2.gz UWAWWKANSURQIR-NVXWUHKLSA-N 1 2 335.879 3.112 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)c1ccsc1 ZINC001085474748 1358525452 /nfs/dbraw/zinc/52/54/52/1358525452.db2.gz KJGKXERLTCIRMF-MRXNPFEDSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)c1ccsc1 ZINC001085474748 1358525455 /nfs/dbraw/zinc/52/54/55/1358525455.db2.gz KJGKXERLTCIRMF-MRXNPFEDSA-N 1 2 343.427 3.105 20 30 EGEDLO Cc1cc(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)c(C)o1 ZINC001085477937 1358530427 /nfs/dbraw/zinc/53/04/27/1358530427.db2.gz LEWLDPOUWQSNCD-IBGZPJMESA-N 1 2 336.435 3.094 20 30 EGEDLO Cc1cc(C(=O)N(C)C[C@@H]2CC[N@H+]2CC#Cc2ccccc2)c(C)o1 ZINC001085477937 1358530431 /nfs/dbraw/zinc/53/04/31/1358530431.db2.gz LEWLDPOUWQSNCD-IBGZPJMESA-N 1 2 336.435 3.094 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@H]1CC=CCC1 ZINC001085479680 1358531757 /nfs/dbraw/zinc/53/17/57/1358531757.db2.gz XWKVYVDAMVFEIQ-ICSRJNTNSA-N 1 2 340.442 3.066 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@H]1CC=CCC1 ZINC001085479680 1358531760 /nfs/dbraw/zinc/53/17/60/1358531760.db2.gz XWKVYVDAMVFEIQ-ICSRJNTNSA-N 1 2 340.442 3.066 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1)C(=O)c1ccoc1Cl ZINC001085568979 1358602799 /nfs/dbraw/zinc/60/27/99/1358602799.db2.gz XGTXRGUEIVBSCP-OAHLLOKOSA-N 1 2 343.814 3.151 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1cccc(C#N)c1)C(=O)c1ccoc1Cl ZINC001085568979 1358602803 /nfs/dbraw/zinc/60/28/03/1358602803.db2.gz XGTXRGUEIVBSCP-OAHLLOKOSA-N 1 2 343.814 3.151 20 30 EGEDLO CCc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)o1 ZINC001085673678 1358677334 /nfs/dbraw/zinc/67/73/34/1358677334.db2.gz BVMVHLHRFAGYDW-KRWDZBQOSA-N 1 2 337.423 3.060 20 30 EGEDLO CCc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)o1 ZINC001085673678 1358677335 /nfs/dbraw/zinc/67/73/35/1358677335.db2.gz BVMVHLHRFAGYDW-KRWDZBQOSA-N 1 2 337.423 3.060 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)C12CCC(CC1)C2 ZINC001085675154 1358679564 /nfs/dbraw/zinc/67/95/64/1358679564.db2.gz MFJJMJNPOSPVJT-HVEKOLDVSA-N 1 2 343.496 3.233 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)C12CCC(CC1)C2 ZINC001085675154 1358679568 /nfs/dbraw/zinc/67/95/68/1358679568.db2.gz MFJJMJNPOSPVJT-HVEKOLDVSA-N 1 2 343.496 3.233 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001085718949 1358709882 /nfs/dbraw/zinc/70/98/82/1358709882.db2.gz FODAYDVTUNGFMI-VAMGGRTRSA-N 1 2 338.495 3.253 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001085718949 1358709885 /nfs/dbraw/zinc/70/98/85/1358709885.db2.gz FODAYDVTUNGFMI-VAMGGRTRSA-N 1 2 338.495 3.253 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2cc(C3CC3)no2)CC1 ZINC001085801398 1358777059 /nfs/dbraw/zinc/77/70/59/1358777059.db2.gz QZLKKHYGXRVHRM-KRWDZBQOSA-N 1 2 343.471 3.331 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2cc(C3CC3)no2)CC1 ZINC001085801398 1358777062 /nfs/dbraw/zinc/77/70/62/1358777062.db2.gz QZLKKHYGXRVHRM-KRWDZBQOSA-N 1 2 343.471 3.331 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001085867059 1358833033 /nfs/dbraw/zinc/83/30/33/1358833033.db2.gz AXTSSZSZCJADKB-JCGIZDLHSA-N 1 2 343.496 3.089 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001085867059 1358833037 /nfs/dbraw/zinc/83/30/37/1358833037.db2.gz AXTSSZSZCJADKB-JCGIZDLHSA-N 1 2 343.496 3.089 20 30 EGEDLO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001086612985 1359164568 /nfs/dbraw/zinc/16/45/68/1359164568.db2.gz UFUPELLYDHEZMY-JKSUJKDBSA-N 1 2 344.867 3.233 20 30 EGEDLO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001086612985 1359164570 /nfs/dbraw/zinc/16/45/70/1359164570.db2.gz UFUPELLYDHEZMY-JKSUJKDBSA-N 1 2 344.867 3.233 20 30 EGEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cccs2)C1 ZINC001087451617 1359472665 /nfs/dbraw/zinc/47/26/65/1359472665.db2.gz ATHTZMQDTXOVIB-IAGOWNOFSA-N 1 2 342.439 3.108 20 30 EGEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cccs2)C1 ZINC001087451617 1359472670 /nfs/dbraw/zinc/47/26/70/1359472670.db2.gz ATHTZMQDTXOVIB-IAGOWNOFSA-N 1 2 342.439 3.108 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](C/C(Cl)=C\Cl)CC[C@@H]2C1 ZINC001088067204 1359741048 /nfs/dbraw/zinc/74/10/48/1359741048.db2.gz SMCWLVRBMSNVMH-DNLHMGNTSA-N 1 2 331.287 3.298 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](C/C(Cl)=C\Cl)CC[C@@H]2C1 ZINC001088067204 1359741049 /nfs/dbraw/zinc/74/10/49/1359741049.db2.gz SMCWLVRBMSNVMH-DNLHMGNTSA-N 1 2 331.287 3.298 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccc2-n2cccc2)[C@H]1C ZINC001088834339 1360068918 /nfs/dbraw/zinc/06/89/18/1360068918.db2.gz NOWIYLTWCHYFOT-WBVHZDCISA-N 1 2 343.858 3.422 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2-n2cccc2)[C@H]1C ZINC001088834339 1360068921 /nfs/dbraw/zinc/06/89/21/1360068921.db2.gz NOWIYLTWCHYFOT-WBVHZDCISA-N 1 2 343.858 3.422 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)[C@H]1C ZINC001088843712 1360077248 /nfs/dbraw/zinc/07/72/48/1360077248.db2.gz NXUIGPWUAGFTFE-HOSILWTGSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)[C@H]1C ZINC001088843712 1360077251 /nfs/dbraw/zinc/07/72/51/1360077251.db2.gz NXUIGPWUAGFTFE-HOSILWTGSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cncc(C(F)(F)F)c2)[C@H]1C ZINC001088956440 1360113683 /nfs/dbraw/zinc/11/36/83/1360113683.db2.gz QZDCWJCLNPBARS-MFKMUULPSA-N 1 2 347.768 3.046 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cncc(C(F)(F)F)c2)[C@H]1C ZINC001088956440 1360113684 /nfs/dbraw/zinc/11/36/84/1360113684.db2.gz QZDCWJCLNPBARS-MFKMUULPSA-N 1 2 347.768 3.046 20 30 EGEDLO Cc1nc(N[C@H](C)C[C@H](C)NC(=O)C#CC(C)C)c2c([nH+]1)CCCC2 ZINC001089309656 1360328555 /nfs/dbraw/zinc/32/85/55/1360328555.db2.gz RBXWJNPHGRDHGU-LSDHHAIUSA-N 1 2 342.487 3.018 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3csnn3)CC(C)(C)C2)C1 ZINC001089486157 1360466988 /nfs/dbraw/zinc/46/69/88/1360466988.db2.gz VBZPAMLHIZPKTH-CQSZACIVSA-N 1 2 348.516 3.001 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3csnn3)CC(C)(C)C2)C1 ZINC001089486157 1360466991 /nfs/dbraw/zinc/46/69/91/1360466991.db2.gz VBZPAMLHIZPKTH-CQSZACIVSA-N 1 2 348.516 3.001 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(OC)o1 ZINC001089716657 1360618693 /nfs/dbraw/zinc/61/86/93/1360618693.db2.gz NPZHZOFWXDVXRM-ZDUSSCGKSA-N 1 2 340.851 3.261 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(OC)o1 ZINC001089716657 1360618695 /nfs/dbraw/zinc/61/86/95/1360618695.db2.gz NPZHZOFWXDVXRM-ZDUSSCGKSA-N 1 2 340.851 3.261 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2CN(c3cc(C)[nH+]c(C4CC4)n3)C[C@H]21 ZINC001090352142 1360894735 /nfs/dbraw/zinc/89/47/35/1360894735.db2.gz WCFSXRXAECJVFE-DLBZAZTESA-N 1 2 340.471 3.056 20 30 EGEDLO C#CCCCCC(=O)NC[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001091340183 1361051269 /nfs/dbraw/zinc/05/12/69/1361051269.db2.gz IYTNYRAEYVLJFZ-WOVMCDHWSA-N 1 2 340.471 3.163 20 30 EGEDLO Cc1cc(N[C@H]2C[C@@H](CNC(=O)C#CC(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC001091342367 1361052340 /nfs/dbraw/zinc/05/23/40/1361052340.db2.gz QNDWOZVJZTUVBT-IYBDPMFKSA-N 1 2 342.487 3.265 20 30 EGEDLO Cc1nsc(N2CC[NH+]([C@@H]3CCc4c3cccc4F)CC2)c1C#N ZINC001323922772 1387497617 /nfs/dbraw/zinc/49/76/17/1387497617.db2.gz GCKHZCRJMJQTHP-QGZVFWFLSA-N 1 2 342.443 3.272 20 30 EGEDLO C=CCCC1(C(=O)NC[C@H]2CC[C@@H](Nc3cc[nH+]c(C)n3)C2)CC1 ZINC001091632153 1361164850 /nfs/dbraw/zinc/16/48/50/1361164850.db2.gz ILAAZHBXMDWNTN-JKSUJKDBSA-N 1 2 328.460 3.228 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNc1cc[nH+]c(C)n1 ZINC001091692645 1361181537 /nfs/dbraw/zinc/18/15/37/1361181537.db2.gz JTTXNIQMFZSLKF-VYDXJSESSA-N 1 2 330.476 3.426 20 30 EGEDLO Cc1nc(NCCC[C@@H]2[C@H](C)CCCN2C(=O)C#CC2CC2)cc[nH+]1 ZINC001091704204 1361186803 /nfs/dbraw/zinc/18/68/03/1361186803.db2.gz PLVUOCRLOOBYET-CRAIPNDOSA-N 1 2 340.471 3.018 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001092055019 1361284837 /nfs/dbraw/zinc/28/48/37/1361284837.db2.gz OGNXBOZVONSDOK-ZBFHGGJFSA-N 1 2 330.476 3.088 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)CC(C)(C)C1 ZINC001092079377 1361291969 /nfs/dbraw/zinc/29/19/69/1361291969.db2.gz CQCYISCMLXDAHQ-KRWDZBQOSA-N 1 2 344.503 3.479 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)CC(C)(C)C1 ZINC001092084092 1361296141 /nfs/dbraw/zinc/29/61/41/1361296141.db2.gz MSHKKKCEMBYGGL-QGZVFWFLSA-N 1 2 342.487 3.090 20 30 EGEDLO C#CCCCC(=O)NCC1CC(Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001092212461 1361324681 /nfs/dbraw/zinc/32/46/81/1361324681.db2.gz RFMOVEMKCYGVKE-UHFFFAOYSA-N 1 2 328.460 3.019 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001092411411 1361375119 /nfs/dbraw/zinc/37/51/19/1361375119.db2.gz FJIVLWGMXHCFKK-CXAGYDPISA-N 1 2 344.503 3.193 20 30 EGEDLO Cc1cc(NC[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC001092650896 1361433202 /nfs/dbraw/zinc/43/32/02/1361433202.db2.gz YYUNCMGSALUIHI-NVXWUHKLSA-N 1 2 342.487 3.074 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(C2CC2)n1 ZINC001093034319 1361512213 /nfs/dbraw/zinc/51/22/13/1361512213.db2.gz GERHHUZIJJWWCM-OAGGEKHMSA-N 1 2 340.471 3.101 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CCC[C@@H]3CCC)CC2)C1 ZINC001093548637 1361639066 /nfs/dbraw/zinc/63/90/66/1361639066.db2.gz JLLDPUGJMUQDSW-PXNSSMCTSA-N 1 2 348.531 3.471 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](C)CC3CCCCC3)CC2)C1 ZINC001093579552 1361648002 /nfs/dbraw/zinc/64/80/02/1361648002.db2.gz WWUYWHBFSBQNIL-QGZVFWFLSA-N 1 2 348.531 3.471 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](CC)CC3CCCC3)CC2)C1 ZINC001093579002 1361648205 /nfs/dbraw/zinc/64/82/05/1361648205.db2.gz LKKAPTXVICDWDY-GOSISDBHSA-N 1 2 348.531 3.471 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C34CCC(CC3)C4(C)C)CC2)C1 ZINC001093581626 1361648457 /nfs/dbraw/zinc/64/84/57/1361648457.db2.gz SFLOIGCPUIJBMI-UHFFFAOYSA-N 1 2 346.515 3.081 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[C@H]3CCCC[C@H]3C)CC2)C1 ZINC001093600125 1361654171 /nfs/dbraw/zinc/65/41/71/1361654171.db2.gz OQWYDWSZUGPFBO-QZTJIDSGSA-N 1 2 348.531 3.471 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CCCC(C)(C)C3)CC2)C1 ZINC001093600505 1361655196 /nfs/dbraw/zinc/65/51/96/1361655196.db2.gz ZJCCAJBPDZVHNR-KRWDZBQOSA-N 1 2 348.531 3.471 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H](N(C)c2nc(C)[nH+]c3c2CCCC3)C1 ZINC001095137024 1362028703 /nfs/dbraw/zinc/02/87/03/1362028703.db2.gz PWMZMIIXWLLEKK-INIZCTEOSA-N 1 2 342.487 3.057 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095151885 1362034186 /nfs/dbraw/zinc/03/41/86/1362034186.db2.gz QGXLFZXLKRCJRL-MRXNPFEDSA-N 1 2 328.460 3.056 20 30 EGEDLO C=CCCC(=O)NC[C@H](Nc1cc[nH+]c(C)n1)c1ccccc1OC ZINC001095209597 1362053501 /nfs/dbraw/zinc/05/35/01/1362053501.db2.gz MQQXIYOAJNTYSI-INIZCTEOSA-N 1 2 340.427 3.029 20 30 EGEDLO C=CCCC(=O)N1CCC(CNc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095254033 1362069658 /nfs/dbraw/zinc/06/96/58/1362069658.db2.gz FTGUTRSPURPECS-UHFFFAOYSA-N 1 2 328.460 3.279 20 30 EGEDLO CC#CCCCC(=O)N1CCC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095323731 1362100823 /nfs/dbraw/zinc/10/08/23/1362100823.db2.gz ZOMMILHFLKOUHP-QGZVFWFLSA-N 1 2 340.471 3.259 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NC1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001095442886 1362142602 /nfs/dbraw/zinc/14/26/02/1362142602.db2.gz PYPFNQQCASRFPF-GDBMZVCRSA-N 1 2 344.503 3.452 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001095710961 1362208366 /nfs/dbraw/zinc/20/83/66/1362208366.db2.gz JIKGOMMCTCSWQF-OAHLLOKOSA-N 1 2 330.476 3.207 20 30 EGEDLO C#CCCCC(=O)NCC1(Nc2cc[nH+]c(C)n2)CCCCCC1 ZINC001095809339 1362239616 /nfs/dbraw/zinc/23/96/16/1362239616.db2.gz ATQSHJCBKYQQFR-UHFFFAOYSA-N 1 2 328.460 3.210 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCCC1(F)F)C2 ZINC001095919994 1362287783 /nfs/dbraw/zinc/28/77/83/1362287783.db2.gz BAHSFVGCJASUQE-CRWXNKLISA-N 1 2 332.822 3.286 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCCC1(F)F)C2 ZINC001095919994 1362287787 /nfs/dbraw/zinc/28/77/87/1362287787.db2.gz BAHSFVGCJASUQE-CRWXNKLISA-N 1 2 332.822 3.286 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cc(C)ccc1C)C2 ZINC001095963161 1362311642 /nfs/dbraw/zinc/31/16/42/1362311642.db2.gz XTNSPRLITSVWFE-SQNIBIBYSA-N 1 2 332.875 3.320 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cc(C)ccc1C)C2 ZINC001095963161 1362311643 /nfs/dbraw/zinc/31/16/43/1362311643.db2.gz XTNSPRLITSVWFE-SQNIBIBYSA-N 1 2 332.875 3.320 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ncoc2C(C)C)C1 ZINC001095982919 1362321963 /nfs/dbraw/zinc/32/19/63/1362321963.db2.gz MMTFAMAFXCKRAF-VYDXJSESSA-N 1 2 343.471 3.376 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ncoc2C(C)C)C1 ZINC001095982919 1362321966 /nfs/dbraw/zinc/32/19/66/1362321966.db2.gz MMTFAMAFXCKRAF-VYDXJSESSA-N 1 2 343.471 3.376 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096221311 1362438363 /nfs/dbraw/zinc/43/83/63/1362438363.db2.gz NHJPJDHESVHKNL-WMLDXEAASA-N 1 2 342.487 3.350 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC23CCN(c2cc[nH+]c(C)n2)CC3)CCC1 ZINC001096536542 1362562896 /nfs/dbraw/zinc/56/28/96/1362562896.db2.gz OJPJTTAEMXOPIK-MRXNPFEDSA-N 1 2 340.471 3.007 20 30 EGEDLO C=CCCC1(C(=O)N2CCC[C@@H](CN(C)c3cc[nH+]c(C)n3)C2)CC1 ZINC001096877740 1362764841 /nfs/dbraw/zinc/76/48/41/1362764841.db2.gz AVCLUEUQWXAGDT-KRWDZBQOSA-N 1 2 342.487 3.206 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2=CCCC2)C3)c(F)c1 ZINC001096949168 1362789764 /nfs/dbraw/zinc/78/97/64/1362789764.db2.gz PFMKIDMEQQKBJT-QRQLOZEOSA-N 1 2 339.414 3.029 20 30 EGEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2=CCCC2)C3)c(F)c1 ZINC001096949168 1362789767 /nfs/dbraw/zinc/78/97/67/1362789767.db2.gz PFMKIDMEQQKBJT-QRQLOZEOSA-N 1 2 339.414 3.029 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H](Nc3cc(C)[nH+]c(C4CC4)n3)C2)CCC1 ZINC001096972887 1362799889 /nfs/dbraw/zinc/79/98/89/1362799889.db2.gz BOZQFLQFWHENKC-INIZCTEOSA-N 1 2 340.471 3.422 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097105505 1362845077 /nfs/dbraw/zinc/84/50/77/1362845077.db2.gz XNXFCOJWWBPMNY-SHTZXODSSA-N 1 2 328.460 3.324 20 30 EGEDLO CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2cccc(Cl)c2)CC1 ZINC001097117030 1362848251 /nfs/dbraw/zinc/84/82/51/1362848251.db2.gz RBZKUHUWOGBAID-KURKYZTESA-N 1 2 342.870 3.213 20 30 EGEDLO CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2cccc(Cl)c2)CC1 ZINC001097117030 1362848255 /nfs/dbraw/zinc/84/82/55/1362848255.db2.gz RBZKUHUWOGBAID-KURKYZTESA-N 1 2 342.870 3.213 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]2CN(c3cc[nH+]c(C)n3)CC[C@@H]21 ZINC001097141510 1362864146 /nfs/dbraw/zinc/86/41/46/1362864146.db2.gz ZOMXJHKJTVMGQR-IRXDYDNUSA-N 1 2 342.487 3.205 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097320981 1362931240 /nfs/dbraw/zinc/93/12/40/1362931240.db2.gz AHBITOOLKXOYHO-MRXNPFEDSA-N 1 2 342.487 3.351 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097338596 1362940734 /nfs/dbraw/zinc/94/07/34/1362940734.db2.gz CJGQWEVTCNYSBO-FXAWDEMLSA-N 1 2 344.503 3.337 20 30 EGEDLO Cc1cc(NC[C@@H]2CCCN(C(=O)C#CC(C)C)C2)nc(C(C)C)[nH+]1 ZINC001097366981 1362954721 /nfs/dbraw/zinc/95/47/21/1362954721.db2.gz GZELMVCGGWZDRI-KRWDZBQOSA-N 1 2 342.487 3.218 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H](C)[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001097545432 1363053294 /nfs/dbraw/zinc/05/32/94/1363053294.db2.gz LVDLVROTETYRHL-FUHWJXTLSA-N 1 2 342.487 3.090 20 30 EGEDLO C#CCCCCCC(=O)N1C[C@@H]2CC[C@@H](Nc3cc[nH+]c(C)n3)[C@H]2C1 ZINC001097604768 1363069372 /nfs/dbraw/zinc/06/93/72/1363069372.db2.gz QCDQSCAHQGZAMN-OKZBNKHCSA-N 1 2 340.471 3.018 20 30 EGEDLO C#CCCCC(=O)NC[C@H](C)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001097782165 1363120701 /nfs/dbraw/zinc/12/07/01/1363120701.db2.gz IGFNLOTXANHEGI-HNNXBMFYSA-N 1 2 330.476 3.444 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001098524258 1363353438 /nfs/dbraw/zinc/35/34/38/1363353438.db2.gz RLUPCZRYIBBJRG-INIZCTEOSA-N 1 2 340.471 3.116 20 30 EGEDLO CC(C)c1cc(N[C@@H](C)CCNC(=O)[C@@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001098948077 1363535316 /nfs/dbraw/zinc/53/53/16/1363535316.db2.gz VUISNTMCVHTDIP-KBPBESRZSA-N 1 2 331.464 3.190 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ncccn1 ZINC001099170091 1363667657 /nfs/dbraw/zinc/66/76/57/1363667657.db2.gz CMHHZHHVQZCCDO-INIZCTEOSA-N 1 2 344.503 3.186 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ncccn1 ZINC001099170091 1363667659 /nfs/dbraw/zinc/66/76/59/1363667659.db2.gz CMHHZHHVQZCCDO-INIZCTEOSA-N 1 2 344.503 3.186 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ncc(C)cn1 ZINC001099170560 1363668471 /nfs/dbraw/zinc/66/84/71/1363668471.db2.gz IESAQMYOHKWMCM-INIZCTEOSA-N 1 2 344.503 3.104 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ncc(C)cn1 ZINC001099170560 1363668472 /nfs/dbraw/zinc/66/84/72/1363668472.db2.gz IESAQMYOHKWMCM-INIZCTEOSA-N 1 2 344.503 3.104 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1coc(C)n1 ZINC001099203364 1363690601 /nfs/dbraw/zinc/69/06/01/1363690601.db2.gz LTYGWCCXFUXWCT-KRWDZBQOSA-N 1 2 333.476 3.446 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1coc(C)n1 ZINC001099203364 1363690605 /nfs/dbraw/zinc/69/06/05/1363690605.db2.gz LTYGWCCXFUXWCT-KRWDZBQOSA-N 1 2 333.476 3.446 20 30 EGEDLO C=C[C@H](CC(=O)NCCN(CC)c1cc[nH+]c(C)n1)c1ccccc1 ZINC001100543285 1364153724 /nfs/dbraw/zinc/15/37/24/1364153724.db2.gz ZIFNDXQIJKTVHJ-QGZVFWFLSA-N 1 2 338.455 3.087 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001101038363 1364384402 /nfs/dbraw/zinc/38/44/02/1364384402.db2.gz LFFHYNVWYGOEFV-IRXDYDNUSA-N 1 2 344.503 3.453 20 30 EGEDLO CCCN(CCNC(=O)C#CC(C)(C)C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001101143499 1364430261 /nfs/dbraw/zinc/43/02/61/1364430261.db2.gz OCXMSHWTQFSYTA-UHFFFAOYSA-N 1 2 342.487 3.045 20 30 EGEDLO C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001101542779 1364607941 /nfs/dbraw/zinc/60/79/41/1364607941.db2.gz HFVAQZCRCDRKSU-CYBMUJFWSA-N 1 2 338.389 3.317 20 30 EGEDLO C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001101542779 1364607943 /nfs/dbraw/zinc/60/79/43/1364607943.db2.gz HFVAQZCRCDRKSU-CYBMUJFWSA-N 1 2 338.389 3.317 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCC[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102383109 1365033995 /nfs/dbraw/zinc/03/39/95/1365033995.db2.gz RKLIBJLKSRKULP-QZTJIDSGSA-N 1 2 344.503 3.337 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCC[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102383111 1365034282 /nfs/dbraw/zinc/03/42/82/1365034282.db2.gz RKLIBJLKSRKULP-ZWKOTPCHSA-N 1 2 344.503 3.337 20 30 EGEDLO C=CCCC1(C(=O)N2CCC(CN(C)c3cc[nH+]c(C)n3)CC2)CC1 ZINC001102468143 1365072922 /nfs/dbraw/zinc/07/29/22/1365072922.db2.gz LUJSLKJDROHZML-UHFFFAOYSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CCCCN(c2cc[nH+]c(C)n2)C1 ZINC001102876579 1365266938 /nfs/dbraw/zinc/26/69/38/1365266938.db2.gz YABFZNIPXKXXDN-KRWDZBQOSA-N 1 2 328.460 3.029 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCC[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001102942846 1365307395 /nfs/dbraw/zinc/30/73/95/1365307395.db2.gz GNZZBQLEYWKOKF-DLBZAZTESA-N 1 2 330.476 3.110 20 30 EGEDLO C#CCC1(C(=O)N2CCC[C@@H]2CNc2cc[nH+]c(C)n2)CCCCC1 ZINC001103807700 1365790493 /nfs/dbraw/zinc/79/04/93/1365790493.db2.gz RNWZVNSMYOBJLL-QGZVFWFLSA-N 1 2 340.471 3.162 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC2(CCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001103829971 1365802871 /nfs/dbraw/zinc/80/28/71/1365802871.db2.gz IJTAIKOCLOPLLJ-HZPDHXFCSA-N 1 2 342.487 3.062 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001103884681 1365823711 /nfs/dbraw/zinc/82/37/11/1365823711.db2.gz JUHACJQWQSZJOV-HOCLYGCPSA-N 1 2 348.491 3.054 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001104234352 1365963170 /nfs/dbraw/zinc/96/31/70/1365963170.db2.gz VNHFRUKJUYDZFT-ZDUSSCGKSA-N 1 2 330.476 3.429 20 30 EGEDLO C=CCCC(=O)NCC1(Nc2cc(C)[nH+]c(C3CC3)n2)CCCC1 ZINC001104372882 1365992549 /nfs/dbraw/zinc/99/25/49/1365992549.db2.gz PXSBLZBEICIHBR-UHFFFAOYSA-N 1 2 328.460 3.470 20 30 EGEDLO C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C(F)C(F)(F)F)CCC1 ZINC001105539718 1366518969 /nfs/dbraw/zinc/51/89/69/1366518969.db2.gz NYSDHCOCSKHTSO-ZIAGYGMSSA-N 1 2 348.384 3.051 20 30 EGEDLO C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H](F)C(F)(F)F)CCC1 ZINC001105539718 1366518971 /nfs/dbraw/zinc/51/89/71/1366518971.db2.gz NYSDHCOCSKHTSO-ZIAGYGMSSA-N 1 2 348.384 3.051 20 30 EGEDLO C=CCC1(C(=O)N(C)CCN(C)c2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001105546988 1366523522 /nfs/dbraw/zinc/52/35/22/1366523522.db2.gz ASFSXGSLNBAPMM-UHFFFAOYSA-N 1 2 342.487 3.303 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CCC[C@@H](C)CCC)CC2)C1 ZINC001105709860 1366581850 /nfs/dbraw/zinc/58/18/50/1366581850.db2.gz YLSIIZHXSXEPRQ-KRWDZBQOSA-N 1 2 336.520 3.471 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C(CCC)CCC)CC2)C1 ZINC001105721706 1366584852 /nfs/dbraw/zinc/58/48/52/1366584852.db2.gz IVXLKMKJPPJNJR-UHFFFAOYSA-N 1 2 336.520 3.471 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([NH2+][C@H](C)c2nc(C(C)C)no2)C1 ZINC001185932364 1387830539 /nfs/dbraw/zinc/83/05/39/1387830539.db2.gz NAODURYODSCJEN-ZIAGYGMSSA-N 1 2 334.464 3.047 20 30 EGEDLO C=C[C@@H](CC(=O)N(CC)CCNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001106774952 1366794279 /nfs/dbraw/zinc/79/42/79/1366794279.db2.gz HGBSQUXOYOVHAE-KRWDZBQOSA-N 1 2 338.455 3.405 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC/C=C/CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107495341 1366993979 /nfs/dbraw/zinc/99/39/79/1366993979.db2.gz GTWCJYKNKGSXBG-IHHMQQGQSA-N 1 2 328.460 3.349 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nncs1)CC2 ZINC001107496837 1366995613 /nfs/dbraw/zinc/99/56/13/1366995613.db2.gz LBNOGRNQCWDQLQ-RDTXWAMCSA-N 1 2 348.516 3.001 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nncs1)CC2 ZINC001107496837 1366995617 /nfs/dbraw/zinc/99/56/17/1366995617.db2.gz LBNOGRNQCWDQLQ-RDTXWAMCSA-N 1 2 348.516 3.001 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H](C)CN(C)c2nc(C)[nH+]c(C)c2C)CC1 ZINC001109220194 1367010796 /nfs/dbraw/zinc/01/07/96/1367010796.db2.gz UFXVMKKIDJEESG-ZDUSSCGKSA-N 1 2 330.476 3.089 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1c(F)cccc1F ZINC001109252017 1367026764 /nfs/dbraw/zinc/02/67/64/1367026764.db2.gz VMYFHPWPWKNPRT-KNCCTNLNSA-N 1 2 346.421 3.407 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1c(F)cccc1F ZINC001109252017 1367026768 /nfs/dbraw/zinc/02/67/68/1367026768.db2.gz VMYFHPWPWKNPRT-KNCCTNLNSA-N 1 2 346.421 3.407 20 30 EGEDLO C[C@@H](c1c(F)cccc1F)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109259918 1367030929 /nfs/dbraw/zinc/03/09/29/1367030929.db2.gz YUOMXUDBJMFKLW-YENGBRFLSA-N 1 2 344.405 3.161 20 30 EGEDLO C[C@@H](c1c(F)cccc1F)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109259918 1367030935 /nfs/dbraw/zinc/03/09/35/1367030935.db2.gz YUOMXUDBJMFKLW-YENGBRFLSA-N 1 2 344.405 3.161 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1ncc(C)o1 ZINC001109343014 1367069600 /nfs/dbraw/zinc/06/96/00/1367069600.db2.gz GGZIUGNTTINFBV-WCVJEAGWSA-N 1 2 331.460 3.368 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1ncc(C)o1 ZINC001109343014 1367069606 /nfs/dbraw/zinc/06/96/06/1367069606.db2.gz GGZIUGNTTINFBV-WCVJEAGWSA-N 1 2 331.460 3.368 20 30 EGEDLO CC[C@@H](C)CC(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001189882435 1367122738 /nfs/dbraw/zinc/12/27/38/1367122738.db2.gz IFFMDOQAIXTOFJ-KDOFPFPSSA-N 1 2 331.435 3.166 20 30 EGEDLO CC[C@@H](C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001189882435 1367122741 /nfs/dbraw/zinc/12/27/41/1367122741.db2.gz IFFMDOQAIXTOFJ-KDOFPFPSSA-N 1 2 331.435 3.166 20 30 EGEDLO C=CC[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001107779944 1367142871 /nfs/dbraw/zinc/14/28/71/1367142871.db2.gz DGRYXVFQYNGRQW-QAPCUYQASA-N 1 2 338.455 3.137 20 30 EGEDLO C=CCCC(=O)NC[C@]1(C)C[N@H+]([C@H](C)c2cccc(F)c2)CCO1 ZINC001107805235 1367154405 /nfs/dbraw/zinc/15/44/05/1367154405.db2.gz VAAFMIXKNDMFBZ-DNVCBOLYSA-N 1 2 334.435 3.060 20 30 EGEDLO C=CCCC(=O)NC[C@]1(C)C[N@@H+]([C@H](C)c2cccc(F)c2)CCO1 ZINC001107805235 1367154409 /nfs/dbraw/zinc/15/44/09/1367154409.db2.gz VAAFMIXKNDMFBZ-DNVCBOLYSA-N 1 2 334.435 3.060 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001109591254 1367216095 /nfs/dbraw/zinc/21/60/95/1367216095.db2.gz YIGMDLUTEGTARP-IKGGRYGDSA-N 1 2 331.435 3.045 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1 ZINC001109591254 1367216098 /nfs/dbraw/zinc/21/60/98/1367216098.db2.gz YIGMDLUTEGTARP-IKGGRYGDSA-N 1 2 331.435 3.045 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncoc1C(C)C ZINC001109601527 1367224861 /nfs/dbraw/zinc/22/48/61/1367224861.db2.gz CRJCAPBOFVKPAM-YCPHGPKFSA-N 1 2 331.460 3.232 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncoc1C(C)C ZINC001109601527 1367224864 /nfs/dbraw/zinc/22/48/64/1367224864.db2.gz CRJCAPBOFVKPAM-YCPHGPKFSA-N 1 2 331.460 3.232 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)CCCNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001109610787 1367233238 /nfs/dbraw/zinc/23/32/38/1367233238.db2.gz NTBVOOHMJQFOLL-UHFFFAOYSA-N 1 2 328.460 3.279 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc3cc(Cl)ccc3o2)C1 ZINC001108060439 1367262955 /nfs/dbraw/zinc/26/29/55/1367262955.db2.gz XWFJDCADMMVUKI-SFHVURJKSA-N 1 2 348.830 3.093 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc3cc(Cl)ccc3o2)C1 ZINC001108060439 1367262959 /nfs/dbraw/zinc/26/29/59/1367262959.db2.gz XWFJDCADMMVUKI-SFHVURJKSA-N 1 2 348.830 3.093 20 30 EGEDLO C=CCCC1(C(=O)N[C@H](C)CNc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001108084617 1367275313 /nfs/dbraw/zinc/27/53/13/1367275313.db2.gz PVJLCVFYBACWAW-CQSZACIVSA-N 1 2 328.460 3.325 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ncc(C)s2)CCC1 ZINC001109683643 1367280719 /nfs/dbraw/zinc/28/07/19/1367280719.db2.gz VVDHYPLIFIWDJD-PMPSAXMXSA-N 1 2 345.512 3.419 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ncc(C)s2)CCC1 ZINC001109683643 1367280724 /nfs/dbraw/zinc/28/07/24/1367280724.db2.gz VVDHYPLIFIWDJD-PMPSAXMXSA-N 1 2 345.512 3.419 20 30 EGEDLO Cc1cc(NC[C@H](NC(=O)C#CC(C)(C)C)C2CC2)nc(C2CC2)[nH+]1 ZINC001109843952 1367353382 /nfs/dbraw/zinc/35/33/82/1367353382.db2.gz FUEODJQVLGDPIH-INIZCTEOSA-N 1 2 340.471 3.019 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C)c3ccccc23)C1 ZINC001108246290 1367360291 /nfs/dbraw/zinc/36/02/91/1367360291.db2.gz IKLMNBKQQQREGD-NRFANRHFSA-N 1 2 338.451 3.155 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C)c3ccccc23)C1 ZINC001108246290 1367360296 /nfs/dbraw/zinc/36/02/96/1367360296.db2.gz IKLMNBKQQQREGD-NRFANRHFSA-N 1 2 338.451 3.155 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC2CCCC2)C(C)C)C1 ZINC001108257138 1367366490 /nfs/dbraw/zinc/36/64/90/1367366490.db2.gz HHNSSWLTXOKPAN-CTNGQTDRSA-N 1 2 348.531 3.069 20 30 EGEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC2CCCC2)C(C)C)C1 ZINC001108257138 1367366495 /nfs/dbraw/zinc/36/64/95/1367366495.db2.gz HHNSSWLTXOKPAN-CTNGQTDRSA-N 1 2 348.531 3.069 20 30 EGEDLO CCCCCCCNC(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001191104480 1367424461 /nfs/dbraw/zinc/42/44/61/1367424461.db2.gz HICIOAWDCLGXNB-OAHLLOKOSA-N 1 2 331.451 3.472 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@H](CC)C1 ZINC001110035331 1367473830 /nfs/dbraw/zinc/47/38/30/1367473830.db2.gz FEYUPMDJQRYQFT-HZPDHXFCSA-N 1 2 330.476 3.426 20 30 EGEDLO C#CCC1(C(=O)N2CC[C@@H](Nc3cc[nH+]c(C)n3)[C@@H](CC)C2)CCC1 ZINC001110036494 1367475789 /nfs/dbraw/zinc/47/57/89/1367475789.db2.gz VUDZSYGFUXIKCR-DLBZAZTESA-N 1 2 340.471 3.018 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2nc(C)sc2C)C1 ZINC001191868717 1367621473 /nfs/dbraw/zinc/62/14/73/1367621473.db2.gz YOUVYYWVHMBOOF-XJKSGUPXSA-N 1 2 335.517 3.395 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(C)sc2C)C1 ZINC001191868717 1367621479 /nfs/dbraw/zinc/62/14/79/1367621479.db2.gz YOUVYYWVHMBOOF-XJKSGUPXSA-N 1 2 335.517 3.395 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCC1(Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001110327152 1367643755 /nfs/dbraw/zinc/64/37/55/1367643755.db2.gz AJLPHOXBCVIVLP-SFHVURJKSA-N 1 2 328.460 3.325 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3coc(C4CC4)n3)C2)CCC1 ZINC001192226621 1367724299 /nfs/dbraw/zinc/72/42/99/1367724299.db2.gz KSJOGWHBCUKMJR-KRWDZBQOSA-N 1 2 343.471 3.331 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3coc(C4CC4)n3)C2)CCC1 ZINC001192226621 1367724305 /nfs/dbraw/zinc/72/43/05/1367724305.db2.gz KSJOGWHBCUKMJR-KRWDZBQOSA-N 1 2 343.471 3.331 20 30 EGEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc2ccc(F)cc2o1 ZINC001109057089 1367742772 /nfs/dbraw/zinc/74/27/72/1367742772.db2.gz CFUBISBWJKZIGF-KBMXLJTQSA-N 1 2 343.402 3.155 20 30 EGEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc2ccc(F)cc2o1 ZINC001109057089 1367742775 /nfs/dbraw/zinc/74/27/75/1367742775.db2.gz CFUBISBWJKZIGF-KBMXLJTQSA-N 1 2 343.402 3.155 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@@]2(C1)CCCN(c1cc[nH+]c(C)n1)C2 ZINC001110459007 1367747958 /nfs/dbraw/zinc/74/79/58/1367747958.db2.gz VKFWOKLNYONSDV-XLIONFOSSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ncoc2C(C)C)C1 ZINC001192586570 1367826903 /nfs/dbraw/zinc/82/69/03/1367826903.db2.gz QEFFWBRJSGNXCW-HNNXBMFYSA-N 1 2 333.476 3.433 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2ncoc2C(C)C)C1 ZINC001192586570 1367826908 /nfs/dbraw/zinc/82/69/08/1367826908.db2.gz QEFFWBRJSGNXCW-HNNXBMFYSA-N 1 2 333.476 3.433 20 30 EGEDLO C#CCC1(C(=O)N[C@H](CNc2cc[nH+]c(C)n2)C2CCCC2)CCC1 ZINC001110669925 1367908711 /nfs/dbraw/zinc/90/87/11/1367908711.db2.gz FGHFCZLIURLTBQ-QGZVFWFLSA-N 1 2 340.471 3.066 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C1CCCC1 ZINC001110676023 1367917648 /nfs/dbraw/zinc/91/76/48/1367917648.db2.gz NOQZMEQCHOQLPJ-PBHICJAKSA-N 1 2 330.476 3.474 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cccc(OC)c1)C2 ZINC001110804577 1368001393 /nfs/dbraw/zinc/00/13/93/1368001393.db2.gz FILXBDLAZLXZMR-NXHRZFHOSA-N 1 2 348.874 3.102 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cccc(OC)c1)C2 ZINC001110804577 1368001399 /nfs/dbraw/zinc/00/13/99/1368001399.db2.gz FILXBDLAZLXZMR-NXHRZFHOSA-N 1 2 348.874 3.102 20 30 EGEDLO Cc1cc(NC[C@@]2(C)CCN(C(=O)C#CC(C)C)C2)nc(C(C)C)[nH+]1 ZINC001110840042 1368022071 /nfs/dbraw/zinc/02/20/71/1368022071.db2.gz FVXDYDAWGVBJIU-HXUWFJFHSA-N 1 2 342.487 3.218 20 30 EGEDLO CCCCCCCOC(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC001194005703 1368166002 /nfs/dbraw/zinc/16/60/02/1368166002.db2.gz XVNWYDFJAVZAML-UHFFFAOYSA-N 1 2 333.476 3.349 20 30 EGEDLO C=CCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cc(CC)[nH+]c(C)n1 ZINC001111265221 1368230956 /nfs/dbraw/zinc/23/09/56/1368230956.db2.gz YBURYHLMAHJQEJ-VBUUOAMHSA-N 1 2 342.487 3.177 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H]2[C@H]1CCN2c1cc(C)[nH+]c(C(C)C)n1 ZINC001111381163 1368277040 /nfs/dbraw/zinc/27/70/40/1368277040.db2.gz DFWAFGFSYGKLOA-DLBZAZTESA-N 1 2 342.487 3.444 20 30 EGEDLO C#CCC1(C(=O)N[C@H]2CC[C@H](CNc3cc[nH+]c(C)n3)CC2)CCC1 ZINC001111644793 1368407413 /nfs/dbraw/zinc/40/74/13/1368407413.db2.gz KAPDXZOYUQLEGQ-QAQDUYKDSA-N 1 2 340.471 3.066 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](CNc2cc[nH+]c(C)n2)CC1 ZINC001111646814 1368410065 /nfs/dbraw/zinc/41/00/65/1368410065.db2.gz QYHNDBQNKMYOBL-QAQDUYKDSA-N 1 2 328.460 3.066 20 30 EGEDLO CC(C)(C)/C=C/C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001195355786 1368427046 /nfs/dbraw/zinc/42/70/46/1368427046.db2.gz DFNDZVKLVREYEI-MDZDMXLPSA-N 1 2 325.456 3.195 20 30 EGEDLO CC(C)(C)/C=C/C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001195355786 1368427049 /nfs/dbraw/zinc/42/70/49/1368427049.db2.gz DFNDZVKLVREYEI-MDZDMXLPSA-N 1 2 325.456 3.195 20 30 EGEDLO CC#CCCCC(=O)N1CCC[N@H+](Cc2nc3ccccc3o2)CC1 ZINC001196846816 1368697077 /nfs/dbraw/zinc/69/70/77/1368697077.db2.gz KAFABMJGCCTKQA-UHFFFAOYSA-N 1 2 339.439 3.056 20 30 EGEDLO CC#CCCCC(=O)N1CCC[N@@H+](Cc2nc3ccccc3o2)CC1 ZINC001196846816 1368697080 /nfs/dbraw/zinc/69/70/80/1368697080.db2.gz KAFABMJGCCTKQA-UHFFFAOYSA-N 1 2 339.439 3.056 20 30 EGEDLO C=CCCC(=O)N1CCCC[C@@H]1[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001112203050 1368712212 /nfs/dbraw/zinc/71/22/12/1368712212.db2.gz BTNQEAHSFJHDOC-ZWKOTPCHSA-N 1 2 342.487 3.349 20 30 EGEDLO C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(F)C(F)(F)F)C2 ZINC001112360969 1368791742 /nfs/dbraw/zinc/79/17/42/1368791742.db2.gz VINWYGRXDPWXBO-YDHLFZDLSA-N 1 2 336.373 3.071 20 30 EGEDLO C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](F)C(F)(F)F)C2 ZINC001112360969 1368791744 /nfs/dbraw/zinc/79/17/44/1368791744.db2.gz VINWYGRXDPWXBO-YDHLFZDLSA-N 1 2 336.373 3.071 20 30 EGEDLO N#Cc1ccc(-c2ccc(C(=O)Nc3cc[nH+]c4c3CCC4)o2)cc1 ZINC001197386865 1368803845 /nfs/dbraw/zinc/80/38/45/1368803845.db2.gz BPDBSODXPYELOO-UHFFFAOYSA-N 1 2 329.359 3.376 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C[C@@H]1C ZINC001112430067 1368844296 /nfs/dbraw/zinc/84/42/96/1368844296.db2.gz ZVKDKZLQZWXTRQ-HOCLYGCPSA-N 1 2 344.503 3.452 20 30 EGEDLO CC(C)C[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001197605895 1368852668 /nfs/dbraw/zinc/85/26/68/1368852668.db2.gz KGSQSIXUQFHOJC-QGZVFWFLSA-N 1 2 327.472 3.275 20 30 EGEDLO CC(C)C[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001197605895 1368852669 /nfs/dbraw/zinc/85/26/69/1368852669.db2.gz KGSQSIXUQFHOJC-QGZVFWFLSA-N 1 2 327.472 3.275 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H](C)C1 ZINC001112502885 1368902601 /nfs/dbraw/zinc/90/26/01/1368902601.db2.gz VVPAPZCQDUPPIW-GOEBONIOSA-N 1 2 342.487 3.348 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC001112671435 1368974577 /nfs/dbraw/zinc/97/45/77/1368974577.db2.gz IUDDCMIHURGJDG-HZPDHXFCSA-N 1 2 334.435 3.012 20 30 EGEDLO CCC[C@@H](C)CC(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001112683660 1368979204 /nfs/dbraw/zinc/97/92/04/1368979204.db2.gz NALCBBYEYBMFDF-QGZVFWFLSA-N 1 2 343.471 3.059 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@H]1CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001112806762 1369017613 /nfs/dbraw/zinc/01/76/13/1369017613.db2.gz XJNYLSDDGCAIFK-KRWDZBQOSA-N 1 2 342.487 3.446 20 30 EGEDLO CCCC[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001112819711 1369027808 /nfs/dbraw/zinc/02/78/08/1369027808.db2.gz GPQDJPRQVCKJMV-QGZVFWFLSA-N 1 2 343.471 3.059 20 30 EGEDLO CC(C)(C)C#CC(=O)N1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC001112837122 1369037087 /nfs/dbraw/zinc/03/70/87/1369037087.db2.gz SRDPJFSDRDXHER-LJQANCHMSA-N 1 2 342.458 3.397 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[NH+](CCOc2cccc(C)c2)CC1 ZINC001112886035 1369069201 /nfs/dbraw/zinc/06/92/01/1369069201.db2.gz XTZMIUNZGUEPEG-UHFFFAOYSA-N 1 2 342.483 3.286 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)C1CC(C)C1)c1ccccc1OC ZINC001198655885 1369084311 /nfs/dbraw/zinc/08/43/11/1369084311.db2.gz IAQLCURKHKYNBY-LDZOIKDWSA-N 1 2 336.863 3.241 20 30 EGEDLO C=C(C)[C@H](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2F)CC1)OCC ZINC001112909327 1369086221 /nfs/dbraw/zinc/08/62/21/1369086221.db2.gz OJNDTNVXWQJFKX-LPHOPBHVSA-N 1 2 348.462 3.402 20 30 EGEDLO C=CCC[C@H](C)[NH+]1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 ZINC001113081145 1369187900 /nfs/dbraw/zinc/18/79/00/1369187900.db2.gz RRRAAJSFXVZBQK-INIZCTEOSA-N 1 2 338.455 3.189 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H](C)[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001113194362 1369256799 /nfs/dbraw/zinc/25/67/99/1369256799.db2.gz QPDRFFKELBJDKE-KBPBESRZSA-N 1 2 330.476 3.325 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC[NH+](CCOc2cc(C)ccc2C)CC1 ZINC001113229284 1369276954 /nfs/dbraw/zinc/27/69/54/1369276954.db2.gz GSMIRJRNDYUIHA-HKUYNNGSSA-N 1 2 344.499 3.285 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](CCOC2CCCCCC2)CC1 ZINC001113243467 1369288375 /nfs/dbraw/zinc/28/83/75/1369288375.db2.gz IPVPCLQHSSLENI-GOSISDBHSA-N 1 2 336.520 3.472 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC001113248404 1369290613 /nfs/dbraw/zinc/29/06/13/1369290613.db2.gz YKILGBJNGZQFEB-UONOGXRCSA-N 1 2 333.303 3.317 20 30 EGEDLO C=CCCC1(C(=O)N2CC[NH+](CCOc3cccc(F)c3)CC2)CC1 ZINC001113305418 1369334279 /nfs/dbraw/zinc/33/42/79/1369334279.db2.gz PDIHOLWFKJAYNC-UHFFFAOYSA-N 1 2 346.446 3.095 20 30 EGEDLO C=C[C@H](CC(=O)NC[C@@H](C)N(C)c1cc[nH+]c(C)n1)c1ccccc1 ZINC001113624415 1369526176 /nfs/dbraw/zinc/52/61/76/1369526176.db2.gz RTTAZGVPGQGJPK-NVXWUHKLSA-N 1 2 338.455 3.086 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](C)N(C)c2cc(C)[nH+]c(C(C)C)n2)CCC1 ZINC001113738306 1369596571 /nfs/dbraw/zinc/59/65/71/1369596571.db2.gz QPRRVRQZFJNUBS-MRXNPFEDSA-N 1 2 342.487 3.043 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@H](C)N(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001113818168 1369621315 /nfs/dbraw/zinc/62/13/15/1369621315.db2.gz YEQCAQMYNQAFQD-AWEZNQCLSA-N 1 2 344.503 3.207 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)CC[C@@H]1C ZINC001114002030 1369681142 /nfs/dbraw/zinc/68/11/42/1369681142.db2.gz UIKOCSGHTOXWJD-GOEBONIOSA-N 1 2 330.476 3.206 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)CC[C@@H]1C ZINC001114040176 1369698479 /nfs/dbraw/zinc/69/84/79/1369698479.db2.gz SRAWPJJINWVECC-SUMWQHHRSA-N 1 2 330.476 3.089 20 30 EGEDLO Cc1cc(N[C@H](CCN(C)C(=O)[C@H](C)C#N)C(C)C)nc(C(C)C)[nH+]1 ZINC001114084173 1369724701 /nfs/dbraw/zinc/72/47/01/1369724701.db2.gz HPKYEXWUOOYONG-GDBMZVCRSA-N 1 2 345.491 3.353 20 30 EGEDLO Cc1cc(N[C@H](CCN(C)C(=O)[C@@H](C)C#N)C(C)C)nc(C(C)C)[nH+]1 ZINC001114084174 1369724917 /nfs/dbraw/zinc/72/49/17/1369724917.db2.gz HPKYEXWUOOYONG-GOEBONIOSA-N 1 2 345.491 3.353 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(C(C)(C)C)n3)C[C@H]21 ZINC001114353318 1369908109 /nfs/dbraw/zinc/90/81/09/1369908109.db2.gz PTEATYDLNQPOCN-QLPKVWCKSA-N 1 2 347.528 3.343 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(C(C)(C)C)n3)C[C@H]21 ZINC001114353318 1369908113 /nfs/dbraw/zinc/90/81/13/1369908113.db2.gz PTEATYDLNQPOCN-QLPKVWCKSA-N 1 2 347.528 3.343 20 30 EGEDLO C#CCCCC(=O)N[C@H]1C[C@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001114764769 1370068233 /nfs/dbraw/zinc/06/82/33/1370068233.db2.gz FTXQXZQTCBWQQC-WKILWMFISA-N 1 2 328.460 3.019 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]([NH2+]CC(F)(F)C(F)F)C23CCC3)C1 ZINC001203376638 1370106037 /nfs/dbraw/zinc/10/60/37/1370106037.db2.gz XVXOZZDEFGNTOF-NWDGAFQWSA-N 1 2 348.384 3.260 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[N@@H+]2Cc1cccc(C#N)c1 ZINC001203758215 1370252369 /nfs/dbraw/zinc/25/23/69/1370252369.db2.gz ULSOSUTUQXUOMW-DLBZAZTESA-N 1 2 327.428 3.142 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[N@H+]2Cc1cccc(C#N)c1 ZINC001203758215 1370252371 /nfs/dbraw/zinc/25/23/71/1370252371.db2.gz ULSOSUTUQXUOMW-DLBZAZTESA-N 1 2 327.428 3.142 20 30 EGEDLO C=CCOC(=O)N1CC[NH+](Cc2ccc(OCCCC)cc2)CC1 ZINC001203971835 1370335936 /nfs/dbraw/zinc/33/59/36/1370335936.db2.gz JVIUBVJHJJQQCU-UHFFFAOYSA-N 1 2 332.444 3.306 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)CCC)[C@@H]2C1 ZINC001187199426 1388069104 /nfs/dbraw/zinc/06/91/04/1388069104.db2.gz MHDVRTLUUOXWIQ-AEGPPILISA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)CCC)[C@@H]2C1 ZINC001187199426 1388069109 /nfs/dbraw/zinc/06/91/09/1388069109.db2.gz MHDVRTLUUOXWIQ-AEGPPILISA-N 1 2 343.309 3.254 20 30 EGEDLO C=CCCCC(=O)NCCOCCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001115441195 1370454184 /nfs/dbraw/zinc/45/41/84/1370454184.db2.gz WZBJNDFQHQDQMX-UHFFFAOYSA-N 1 2 348.491 3.200 20 30 EGEDLO C=CC(C)(C)C(=O)NCC1([NH2+]Cc2noc(C(C)C)n2)CCCCC1 ZINC001115667020 1370647752 /nfs/dbraw/zinc/64/77/52/1370647752.db2.gz MJVFRBGQEQUGBM-UHFFFAOYSA-N 1 2 348.491 3.314 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCC1([NH2+]Cc2noc(CC)n2)CCCCC1 ZINC001115684803 1370667746 /nfs/dbraw/zinc/66/77/46/1370667746.db2.gz IZEGBQJGOTVPTH-OAHLLOKOSA-N 1 2 348.491 3.143 20 30 EGEDLO Cc1cc(N[C@H](C)CN(C)C(=O)C#CC(C)(C)C)nc(C(C)C)[nH+]1 ZINC001115714552 1370693739 /nfs/dbraw/zinc/69/37/39/1370693739.db2.gz LDESEPRVSBTQQZ-OAHLLOKOSA-N 1 2 330.476 3.217 20 30 EGEDLO CCCCCCCCCC(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC001187366944 1388099998 /nfs/dbraw/zinc/09/99/98/1388099998.db2.gz GDRCGJVLTHFXBP-OAHLLOKOSA-N 1 2 338.521 3.369 20 30 EGEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1ccccc1OCC#N ZINC001206520076 1371081938 /nfs/dbraw/zinc/08/19/38/1371081938.db2.gz NCMJZXOTKLXRLC-UHFFFAOYSA-N 1 2 338.407 3.097 20 30 EGEDLO N#Cc1c[nH]c2cc(-c3ccc(C[NH+]4CCOCC4)cc3F)cnc12 ZINC001206720093 1371144786 /nfs/dbraw/zinc/14/47/86/1371144786.db2.gz XWUHVAAPWRKBSH-UHFFFAOYSA-N 1 2 336.370 3.073 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)on2)C[C@H]1C ZINC001207190502 1371325253 /nfs/dbraw/zinc/32/52/53/1371325253.db2.gz QXLPCUJHDBRJPR-GDBMZVCRSA-N 1 2 333.476 3.265 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)on2)C[C@H]1C ZINC001207190502 1371325259 /nfs/dbraw/zinc/32/52/59/1371325259.db2.gz QXLPCUJHDBRJPR-GDBMZVCRSA-N 1 2 333.476 3.265 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(Cc3ccccc3)CC2)C1 ZINC001207586992 1371444000 /nfs/dbraw/zinc/44/40/00/1371444000.db2.gz FWKSKFHDIHLOHD-RHSMWYFYSA-N 1 2 332.875 3.198 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(Cc3ccccc3)CC2)C1 ZINC001207586992 1371444003 /nfs/dbraw/zinc/44/40/03/1371444003.db2.gz FWKSKFHDIHLOHD-RHSMWYFYSA-N 1 2 332.875 3.198 20 30 EGEDLO CC(C)(C)OC(=O)N1CCC2(CC(C[NH+]3CC(C)(C#N)C3)C2)CC1 ZINC001207802913 1371508523 /nfs/dbraw/zinc/50/85/23/1371508523.db2.gz HBBHUNWBGAPNII-UHFFFAOYSA-N 1 2 333.476 3.259 20 30 EGEDLO C=CC(C)(C)C(=O)N(C)C[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001120408264 1371563362 /nfs/dbraw/zinc/56/33/62/1371563362.db2.gz MGZZBJXRUIHRHS-ZDUSSCGKSA-N 1 2 330.476 3.135 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001208298497 1371705635 /nfs/dbraw/zinc/70/56/35/1371705635.db2.gz PVIYQAKVHWEBPE-CZUORRHYSA-N 1 2 331.460 3.091 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001208298497 1371705637 /nfs/dbraw/zinc/70/56/37/1371705637.db2.gz PVIYQAKVHWEBPE-CZUORRHYSA-N 1 2 331.460 3.091 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001120768435 1371751843 /nfs/dbraw/zinc/75/18/43/1371751843.db2.gz XFWGUAXWUYGTHH-FUHWJXTLSA-N 1 2 336.863 3.042 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccncc3Cl)C[C@H]2C)CC1 ZINC001208500879 1371789703 /nfs/dbraw/zinc/78/97/03/1371789703.db2.gz YBQQBMWRJVYHBC-RHSMWYFYSA-N 1 2 347.890 3.418 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccncc3Cl)C[C@H]2C)CC1 ZINC001208500879 1371789708 /nfs/dbraw/zinc/78/97/08/1371789708.db2.gz YBQQBMWRJVYHBC-RHSMWYFYSA-N 1 2 347.890 3.418 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3csc(C)n3)C[C@H]2C)CCC1 ZINC001208506469 1371791279 /nfs/dbraw/zinc/79/12/79/1371791279.db2.gz HKDHXXNLXDGFSF-CZUORRHYSA-N 1 2 333.501 3.134 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3csc(C)n3)C[C@H]2C)CCC1 ZINC001208506469 1371791284 /nfs/dbraw/zinc/79/12/84/1371791284.db2.gz HKDHXXNLXDGFSF-CZUORRHYSA-N 1 2 333.501 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2cccs2)C1 ZINC001209014161 1371974940 /nfs/dbraw/zinc/97/49/40/1371974940.db2.gz DJASOEVMQXUKDX-YWPYICTPSA-N 1 2 326.893 3.116 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2cccs2)C1 ZINC001209014161 1371974942 /nfs/dbraw/zinc/97/49/42/1371974942.db2.gz DJASOEVMQXUKDX-YWPYICTPSA-N 1 2 326.893 3.116 20 30 EGEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCCC[C@H]1CC ZINC001121495195 1371992193 /nfs/dbraw/zinc/99/21/93/1371992193.db2.gz DHKLJXJUVFCOMO-SJORKVTESA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCCC[C@H]1CC ZINC001121495195 1371992198 /nfs/dbraw/zinc/99/21/98/1371992198.db2.gz DHKLJXJUVFCOMO-SJORKVTESA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(CC(F)F)C1CCC1 ZINC001121510408 1371995214 /nfs/dbraw/zinc/99/52/14/1371995214.db2.gz VLCVIAOCXOYJGZ-AWEZNQCLSA-N 1 2 339.434 3.245 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(CC(F)F)C1CCC1 ZINC001121510408 1371995217 /nfs/dbraw/zinc/99/52/17/1371995217.db2.gz VLCVIAOCXOYJGZ-AWEZNQCLSA-N 1 2 339.434 3.245 20 30 EGEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC001121519196 1371997187 /nfs/dbraw/zinc/99/71/87/1371997187.db2.gz IQIOVFXIYYORRT-CALCHBBNSA-N 1 2 329.492 3.076 20 30 EGEDLO C=CCCC1(C(=O)N2CCC[C@@H]([NH2+]Cc3nnc(C(C)C)o3)C2)CC1 ZINC001209465937 1372112583 /nfs/dbraw/zinc/11/25/83/1372112583.db2.gz XBERNUXZNBOYPD-OAHLLOKOSA-N 1 2 346.475 3.020 20 30 EGEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2cc3cc(Cl)ccc3[nH]2)CC1 ZINC001209725018 1372178126 /nfs/dbraw/zinc/17/81/26/1372178126.db2.gz JUESNWTVTJLWRZ-UHFFFAOYSA-N 1 2 345.830 3.490 20 30 EGEDLO C=CCN(CC=C)c1nnc([C@H]2CCC[N@H+]2C)n1Cc1ccccc1 ZINC001122155405 1372189789 /nfs/dbraw/zinc/18/97/89/1372189789.db2.gz IUWZXYVPJHWKSE-GOSISDBHSA-N 1 2 337.471 3.272 20 30 EGEDLO C=CCN(CC=C)c1nnc([C@H]2CCC[N@@H+]2C)n1Cc1ccccc1 ZINC001122155405 1372189798 /nfs/dbraw/zinc/18/97/98/1372189798.db2.gz IUWZXYVPJHWKSE-GOSISDBHSA-N 1 2 337.471 3.272 20 30 EGEDLO CC(C)[N@@H+]1CCC[C@H]1C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 ZINC001122567813 1372276436 /nfs/dbraw/zinc/27/64/36/1372276436.db2.gz GSDWGWWXEJDPPS-ZBFHGGJFSA-N 1 2 340.452 3.254 20 30 EGEDLO CC(C)[N@H+]1CCC[C@H]1C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 ZINC001122567813 1372276442 /nfs/dbraw/zinc/27/64/42/1372276442.db2.gz GSDWGWWXEJDPPS-ZBFHGGJFSA-N 1 2 340.452 3.254 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)CC2CCCCC2)C1 ZINC001210337712 1372327142 /nfs/dbraw/zinc/32/71/42/1372327142.db2.gz UNLWCEPBKAZKDL-DAXOMENPSA-N 1 2 330.875 3.484 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)CC2CCCCC2)C1 ZINC001210337712 1372327147 /nfs/dbraw/zinc/32/71/47/1372327147.db2.gz UNLWCEPBKAZKDL-DAXOMENPSA-N 1 2 330.875 3.484 20 30 EGEDLO Cc1cc(C#N)ccc1Nc1cc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c(C)n1 ZINC001210375271 1372336737 /nfs/dbraw/zinc/33/67/37/1372336737.db2.gz PDXKRUVTGRYMPC-OKILXGFUSA-N 1 2 337.427 3.322 20 30 EGEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2nccn2C)C[C@H]1C ZINC001210560456 1372379474 /nfs/dbraw/zinc/37/94/74/1372379474.db2.gz MCXAIOFUKQEZNV-QZTJIDSGSA-N 1 2 348.535 3.497 20 30 EGEDLO CCCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2nccn2C)C[C@H]1C ZINC001210560456 1372379478 /nfs/dbraw/zinc/37/94/78/1372379478.db2.gz MCXAIOFUKQEZNV-QZTJIDSGSA-N 1 2 348.535 3.497 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C[C@H]1C ZINC001123291006 1372416278 /nfs/dbraw/zinc/41/62/78/1372416278.db2.gz SCRFGFYZQSTQJZ-ZBFHGGJFSA-N 1 2 342.487 3.421 20 30 EGEDLO CC#CCCCC(=O)N1C[C@@H]2CCC[C@H](Nc3cc[nH+]c(C)n3)[C@@H]2C1 ZINC001123487261 1372487291 /nfs/dbraw/zinc/48/72/91/1372487291.db2.gz NHEBBXRYIMUIBA-KSZLIROESA-N 1 2 340.471 3.018 20 30 EGEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2CCC[C@@H](Nc3cc[nH+]c(C)n3)[C@@H]2C1 ZINC001123499217 1372490568 /nfs/dbraw/zinc/49/05/68/1372490568.db2.gz YIIFOWUBRDZOIQ-GVDBMIGSSA-N 1 2 342.487 3.426 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001123554928 1372505247 /nfs/dbraw/zinc/50/52/47/1372505247.db2.gz PUSBAKPSSILBBE-AEFFLSMTSA-N 1 2 342.487 3.069 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001123626030 1372529281 /nfs/dbraw/zinc/52/92/81/1372529281.db2.gz ASAFGLQCENFZGV-NVXWUHKLSA-N 1 2 344.503 3.478 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001123762146 1372580756 /nfs/dbraw/zinc/58/07/56/1372580756.db2.gz RMWJDEXWJGNZOD-GDBMZVCRSA-N 1 2 328.460 3.325 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1CC[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001123827694 1372600560 /nfs/dbraw/zinc/60/05/60/1372600560.db2.gz FYFUJGKWCNPUSP-KGLIPLIRSA-N 1 2 336.867 3.261 20 30 EGEDLO CCOC(=O)c1ccc2[nH+]ccc(Nc3ccc(OCC#N)cc3)c2c1 ZINC001212607343 1372737057 /nfs/dbraw/zinc/73/70/57/1372737057.db2.gz YFPXKSXSOGCDDT-UHFFFAOYSA-N 1 2 347.374 3.479 20 30 EGEDLO N#Cc1ccc(C(F)(F)F)cc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212670163 1372749211 /nfs/dbraw/zinc/74/92/11/1372749211.db2.gz JPANQDDQZFLTOP-UHFFFAOYSA-N 1 2 347.340 3.497 20 30 EGEDLO Cc1ccc2c(Nc3c(C#N)cnn3-c3ncccn3)cccc2[nH+]1 ZINC001212794899 1372773446 /nfs/dbraw/zinc/77/34/46/1372773446.db2.gz CAPREHLUFMVCDD-UHFFFAOYSA-N 1 2 327.351 3.134 20 30 EGEDLO C=CCC(CC=C)C(=O)N(CCN(C)c1cc[nH+]c(C)n1)C(C)C ZINC001125588636 1372813461 /nfs/dbraw/zinc/81/34/61/1372813461.db2.gz AZWYQZXQNCJTML-UHFFFAOYSA-N 1 2 330.476 3.227 20 30 EGEDLO Cc1cc(NC[C@@H](NC(=O)[C@H](C)C#N)C(C)(C)C)nc(C(C)C)[nH+]1 ZINC001125822798 1372864543 /nfs/dbraw/zinc/86/45/43/1372864543.db2.gz UGBYYRHWWOOFCY-TZMCWYRMSA-N 1 2 331.464 3.011 20 30 EGEDLO N#Cc1ccc(Nc2cc(Br)cn3cc[nH+]c23)c(N)c1 ZINC001213349607 1372889064 /nfs/dbraw/zinc/88/90/64/1372889064.db2.gz HBUPOIJTIDFGFP-UHFFFAOYSA-N 1 2 328.173 3.294 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1OC ZINC001213770631 1372959190 /nfs/dbraw/zinc/95/91/90/1372959190.db2.gz CRJIAUKXHSHNAC-BVPRHBRVSA-N 1 2 330.900 3.305 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1OC ZINC001213770631 1372959195 /nfs/dbraw/zinc/95/91/95/1372959195.db2.gz CRJIAUKXHSHNAC-BVPRHBRVSA-N 1 2 330.900 3.305 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001126654551 1372992023 /nfs/dbraw/zinc/99/20/23/1372992023.db2.gz GWOQVSRSNNEORX-CQSZACIVSA-N 1 2 330.476 3.108 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H](C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001126763050 1373016979 /nfs/dbraw/zinc/01/69/79/1373016979.db2.gz YGXRXAHROMCMBA-GOEBONIOSA-N 1 2 330.476 3.108 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@@H+](Cc3csc(CC)n3)C[C@H]21 ZINC001188086967 1388239944 /nfs/dbraw/zinc/23/99/44/1388239944.db2.gz IVQZRQWLQIJEIN-GOEBONIOSA-N 1 2 333.501 3.095 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@H+](Cc3csc(CC)n3)C[C@H]21 ZINC001188086967 1388239948 /nfs/dbraw/zinc/23/99/48/1388239948.db2.gz IVQZRQWLQIJEIN-GOEBONIOSA-N 1 2 333.501 3.095 20 30 EGEDLO C=CCCCC(=O)N(C)C1CC(Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001127066997 1373079681 /nfs/dbraw/zinc/07/96/81/1373079681.db2.gz MFGTVBSFKUUMRW-UHFFFAOYSA-N 1 2 342.487 3.421 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)C[C@@H]3C[C@@H]3C)c2C1 ZINC001128470159 1373273289 /nfs/dbraw/zinc/27/32/89/1373273289.db2.gz CNCKKSUTMLLHRG-IRXDYDNUSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)C[C@@H]3C[C@@H]3C)c2C1 ZINC001128470159 1373273291 /nfs/dbraw/zinc/27/32/91/1373273291.db2.gz CNCKKSUTMLLHRG-IRXDYDNUSA-N 1 2 344.503 3.107 20 30 EGEDLO COc1cc(-c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)ccc1C#N ZINC001216968733 1373372522 /nfs/dbraw/zinc/37/25/22/1373372522.db2.gz CCGAVUGLUNLOQQ-UHFFFAOYSA-N 1 2 343.346 3.470 20 30 EGEDLO C[C@H](CC(=O)Nc1ccc(Br)c(C#N)c1)n1cc[nH+]c1 ZINC001129359095 1373374925 /nfs/dbraw/zinc/37/49/25/1373374925.db2.gz OGOCMFDLKXLNBX-SNVBAGLBSA-N 1 2 333.189 3.107 20 30 EGEDLO C=CCCC[N@@H+]1Cc2cnn(C3CCN(C(=O)C(C)(C)C)CC3)c2C1 ZINC001130168899 1373468442 /nfs/dbraw/zinc/46/84/42/1373468442.db2.gz IFYYADNEVMNXRK-UHFFFAOYSA-N 1 2 344.503 3.375 20 30 EGEDLO C=CCCC[N@H+]1Cc2cnn(C3CCN(C(=O)C(C)(C)C)CC3)c2C1 ZINC001130168899 1373468444 /nfs/dbraw/zinc/46/84/44/1373468444.db2.gz IFYYADNEVMNXRK-UHFFFAOYSA-N 1 2 344.503 3.375 20 30 EGEDLO C[Si](C)(C)C#Cc1cccc(NC(=O)[C@H]2C[NH2+]CC(F)(F)C2)c1 ZINC001219309427 1373699154 /nfs/dbraw/zinc/69/91/54/1373699154.db2.gz ZMRNMTVVFVIIAD-CQSZACIVSA-N 1 2 336.458 3.099 20 30 EGEDLO C=CCC(C)(C)C(=O)N1C[C@@H](C)O[C@]2(CC[N@H+](CC(=C)Cl)C2)C1 ZINC001131683549 1373762214 /nfs/dbraw/zinc/76/22/14/1373762214.db2.gz ZCNBLWZTUUYLPZ-QAPCUYQASA-N 1 2 340.895 3.033 20 30 EGEDLO C=CCC(C)(C)C(=O)N1C[C@@H](C)O[C@]2(CC[N@@H+](CC(=C)Cl)C2)C1 ZINC001131683549 1373762216 /nfs/dbraw/zinc/76/22/16/1373762216.db2.gz ZCNBLWZTUUYLPZ-QAPCUYQASA-N 1 2 340.895 3.033 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CCC1(C)CC1)C[C@@H](C)O2 ZINC001131692508 1373767046 /nfs/dbraw/zinc/76/70/46/1373767046.db2.gz HUYIZMVFHMXNKT-CRAIPNDOSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCC1(C)CC1)C[C@@H](C)O2 ZINC001131692508 1373767050 /nfs/dbraw/zinc/76/70/50/1373767050.db2.gz HUYIZMVFHMXNKT-CRAIPNDOSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)OCCCCCC)[C@@H]2C1 ZINC001221546492 1373778899 /nfs/dbraw/zinc/77/88/99/1373778899.db2.gz WLQPPGPQYSXUPJ-BRWVUGGUSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)OCCCCCC)[C@@H]2C1 ZINC001221546492 1373778901 /nfs/dbraw/zinc/77/89/01/1373778901.db2.gz WLQPPGPQYSXUPJ-BRWVUGGUSA-N 1 2 342.911 3.257 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC001131900394 1375037192 /nfs/dbraw/zinc/03/71/92/1375037192.db2.gz XOSJRLKGKRIAFZ-SJORKVTESA-N 1 2 344.503 3.434 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC001131900394 1375037196 /nfs/dbraw/zinc/03/71/96/1375037196.db2.gz XOSJRLKGKRIAFZ-SJORKVTESA-N 1 2 344.503 3.434 20 30 EGEDLO C=CCOCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC=C(Cl)Cl)C1 ZINC001131939873 1375058903 /nfs/dbraw/zinc/05/89/03/1375058903.db2.gz WPYLJAUGWSTEOZ-UONOGXRCSA-N 1 2 349.302 3.257 20 30 EGEDLO C=CCOCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC=C(Cl)Cl)C1 ZINC001131939873 1375058909 /nfs/dbraw/zinc/05/89/09/1375058909.db2.gz WPYLJAUGWSTEOZ-UONOGXRCSA-N 1 2 349.302 3.257 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2c(F)cccc2F)C1 ZINC001132003616 1375095192 /nfs/dbraw/zinc/09/51/92/1375095192.db2.gz XYKHCKLEAFWIPZ-GJZGRUSLSA-N 1 2 334.410 3.237 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2c(F)cccc2F)C1 ZINC001132003616 1375095198 /nfs/dbraw/zinc/09/51/98/1375095198.db2.gz XYKHCKLEAFWIPZ-GJZGRUSLSA-N 1 2 334.410 3.237 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1c(F)cccc1Cl ZINC001132033692 1375108292 /nfs/dbraw/zinc/10/82/92/1375108292.db2.gz JVPQIINWVSMFAT-UKRRQHHQSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1c(F)cccc1Cl ZINC001132033692 1375108294 /nfs/dbraw/zinc/10/82/94/1375108294.db2.gz JVPQIINWVSMFAT-UKRRQHHQSA-N 1 2 348.849 3.362 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ncoc2C(C)C)C1 ZINC001132217702 1375214436 /nfs/dbraw/zinc/21/44/36/1375214436.db2.gz GAWKHMJPBJPFLO-GJZGRUSLSA-N 1 2 333.476 3.479 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001132217702 1375214438 /nfs/dbraw/zinc/21/44/38/1375214438.db2.gz GAWKHMJPBJPFLO-GJZGRUSLSA-N 1 2 333.476 3.479 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2nc(C)oc2C)C1 ZINC001132241105 1375236724 /nfs/dbraw/zinc/23/67/24/1375236724.db2.gz QREAYTUGARUSCI-MAUKXSAKSA-N 1 2 345.487 3.344 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2nc(C)oc2C)C1 ZINC001132241105 1375236729 /nfs/dbraw/zinc/23/67/29/1375236729.db2.gz QREAYTUGARUSCI-MAUKXSAKSA-N 1 2 345.487 3.344 20 30 EGEDLO N#Cc1cncc(O[C@H]2CCC[N@@H+](Cc3cnc(Cl)s3)C2)c1 ZINC001226685623 1375308518 /nfs/dbraw/zinc/30/85/18/1375308518.db2.gz FBNQZFOZTCMRAE-LBPRGKRZSA-N 1 2 334.832 3.107 20 30 EGEDLO N#Cc1cncc(O[C@H]2CCC[N@H+](Cc3cnc(Cl)s3)C2)c1 ZINC001226685623 1375308521 /nfs/dbraw/zinc/30/85/21/1375308521.db2.gz FBNQZFOZTCMRAE-LBPRGKRZSA-N 1 2 334.832 3.107 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCCc2cccnc2)CC[C@H]1C ZINC001132384697 1375343819 /nfs/dbraw/zinc/34/38/19/1375343819.db2.gz QXGTXMVCWLVXKT-NVXWUHKLSA-N 1 2 335.879 3.126 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCCc2cccnc2)CC[C@H]1C ZINC001132384697 1375343826 /nfs/dbraw/zinc/34/38/26/1375343826.db2.gz QXGTXMVCWLVXKT-NVXWUHKLSA-N 1 2 335.879 3.126 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC1CC[NH+]([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC001228810580 1375685415 /nfs/dbraw/zinc/68/54/15/1375685415.db2.gz XKUTVQDWXYRJAA-KGLIPLIRSA-N 1 2 346.475 3.191 20 30 EGEDLO C=CCCCC(=O)NC1CC[NH+](Cc2ccn(C3CCCC3)n2)CC1 ZINC001228928042 1375717501 /nfs/dbraw/zinc/71/75/01/1375717501.db2.gz UIBWXPXXSJAWQT-UHFFFAOYSA-N 1 2 344.503 3.435 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC001229016926 1375738846 /nfs/dbraw/zinc/73/88/46/1375738846.db2.gz NVJMPGCHAHPGNM-SFHVURJKSA-N 1 2 335.517 3.388 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC1CC[NH+](Cc2nc3c(o2)CCCC3)CC1 ZINC001229016581 1375739014 /nfs/dbraw/zinc/73/90/14/1375739014.db2.gz LHLBXTYSISTSQD-HXUWFJFHSA-N 1 2 345.487 3.236 20 30 EGEDLO C=CCC1(C(=O)NC2CC[NH+](Cc3coc(C4CC4)n3)CC2)CCC1 ZINC001229029575 1375744785 /nfs/dbraw/zinc/74/47/85/1375744785.db2.gz GDGTZIRVOCAJRT-UHFFFAOYSA-N 1 2 343.471 3.379 20 30 EGEDLO C=C[C@@H](C(=O)NC1CC[NH+](Cc2ncc(C)o2)CC1)c1ccccc1 ZINC001230332154 1375999805 /nfs/dbraw/zinc/99/98/05/1375999805.db2.gz VQURUCPAKOGBGL-GOSISDBHSA-N 1 2 339.439 3.033 20 30 EGEDLO CCC[C@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001231313114 1376227463 /nfs/dbraw/zinc/22/74/63/1376227463.db2.gz VPXODQCITOLWGC-YJBOKZPZSA-N 1 2 343.471 3.036 20 30 EGEDLO CCC[C@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001231313114 1376227474 /nfs/dbraw/zinc/22/74/74/1376227474.db2.gz VPXODQCITOLWGC-YJBOKZPZSA-N 1 2 343.471 3.036 20 30 EGEDLO Cn1ncc2c1C[N@H+](Cc1ccccc1C#Cc1ccccc1)CC2 ZINC001231579018 1376269821 /nfs/dbraw/zinc/26/98/21/1376269821.db2.gz WNWYFDDJWTYPAT-UHFFFAOYSA-N 1 2 327.431 3.378 20 30 EGEDLO Cn1ncc2c1C[N@@H+](Cc1ccccc1C#Cc1ccccc1)CC2 ZINC001231579018 1376269825 /nfs/dbraw/zinc/26/98/25/1376269825.db2.gz WNWYFDDJWTYPAT-UHFFFAOYSA-N 1 2 327.431 3.378 20 30 EGEDLO CC[N@H+](Cc1cc(C#N)ccc1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232678930 1376499798 /nfs/dbraw/zinc/49/97/98/1376499798.db2.gz VDXASDLNNUAURF-MRXNPFEDSA-N 1 2 345.443 3.095 20 30 EGEDLO CC[N@@H+](Cc1cc(C#N)ccc1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232678930 1376499801 /nfs/dbraw/zinc/49/98/01/1376499801.db2.gz VDXASDLNNUAURF-MRXNPFEDSA-N 1 2 345.443 3.095 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232678991 1376499867 /nfs/dbraw/zinc/49/98/67/1376499867.db2.gz XJZFALWQFFUXSQ-CZUORRHYSA-N 1 2 345.443 3.141 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(C#N)ccc1O ZINC001232678991 1376499868 /nfs/dbraw/zinc/49/98/68/1376499868.db2.gz XJZFALWQFFUXSQ-CZUORRHYSA-N 1 2 345.443 3.141 20 30 EGEDLO N#Cc1ccc(O)c(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)c1 ZINC001232678616 1376500117 /nfs/dbraw/zinc/50/01/17/1376500117.db2.gz KGWBOSTVGJXNFD-UHFFFAOYSA-N 1 2 344.418 3.134 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001232889444 1376532456 /nfs/dbraw/zinc/53/24/56/1376532456.db2.gz ILLXKXNYNWJLSM-DLBZAZTESA-N 1 2 345.418 3.281 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001232889444 1376532463 /nfs/dbraw/zinc/53/24/63/1376532463.db2.gz ILLXKXNYNWJLSM-DLBZAZTESA-N 1 2 345.418 3.281 20 30 EGEDLO CCOC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C)Cc2nn(CC)cc21 ZINC001233081295 1376567761 /nfs/dbraw/zinc/56/77/61/1376567761.db2.gz BWSRXYXWYZPFEX-SFHVURJKSA-N 1 2 338.455 3.219 20 30 EGEDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C)Cc2nn(CC)cc21 ZINC001233081295 1376567769 /nfs/dbraw/zinc/56/77/69/1376567769.db2.gz BWSRXYXWYZPFEX-SFHVURJKSA-N 1 2 338.455 3.219 20 30 EGEDLO COC(=O)C1(C#N)CC[NH+](Cc2c(Cl)cccc2SC)CC1 ZINC001233353843 1376627189 /nfs/dbraw/zinc/62/71/89/1376627189.db2.gz LUURDNYMHZXPRQ-UHFFFAOYSA-N 1 2 338.860 3.341 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)c(O)c1 ZINC001233383803 1376633762 /nfs/dbraw/zinc/63/37/62/1376633762.db2.gz WRKLHJJIQIMFHP-QPJJXVBHSA-N 1 2 333.435 3.095 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)c(O)c1 ZINC001233386422 1376633922 /nfs/dbraw/zinc/63/39/22/1376633922.db2.gz SWLJAONYRSNXQV-UHFFFAOYSA-N 1 2 330.391 3.008 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)c(O)c1 ZINC001233386422 1376633926 /nfs/dbraw/zinc/63/39/26/1376633926.db2.gz SWLJAONYRSNXQV-UHFFFAOYSA-N 1 2 330.391 3.008 20 30 EGEDLO C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1)C1CC1 ZINC001233530504 1376661609 /nfs/dbraw/zinc/66/16/09/1376661609.db2.gz UPPOXUBEJWPRCA-HNAYVOBHSA-N 1 2 344.886 3.270 20 30 EGEDLO C[C@H](C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1)C1CC1 ZINC001233530504 1376661629 /nfs/dbraw/zinc/66/16/29/1376661629.db2.gz UPPOXUBEJWPRCA-HNAYVOBHSA-N 1 2 344.886 3.270 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)c1cc(F)ccc1F ZINC001233915317 1376737038 /nfs/dbraw/zinc/73/70/38/1376737038.db2.gz MYZSMIRFVPNADD-HOCLYGCPSA-N 1 2 334.410 3.362 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)c1cc(F)ccc1F ZINC001233915317 1376737040 /nfs/dbraw/zinc/73/70/40/1376737040.db2.gz MYZSMIRFVPNADD-HOCLYGCPSA-N 1 2 334.410 3.362 20 30 EGEDLO Cc1cccc(N2CCC[N@H+](Cc3c(F)cc(C#N)cc3F)CC2)n1 ZINC001235665233 1376882933 /nfs/dbraw/zinc/88/29/33/1376882933.db2.gz TZKXUJHJYZBYEW-UHFFFAOYSA-N 1 2 342.393 3.252 20 30 EGEDLO Cc1cccc(N2CCC[N@@H+](Cc3c(F)cc(C#N)cc3F)CC2)n1 ZINC001235665233 1376882940 /nfs/dbraw/zinc/88/29/40/1376882940.db2.gz TZKXUJHJYZBYEW-UHFFFAOYSA-N 1 2 342.393 3.252 20 30 EGEDLO CCc1noc([C@@H]2CCC[N@H+](Cc3c(F)cc(C#N)cc3F)C2)n1 ZINC001235665875 1376883670 /nfs/dbraw/zinc/88/36/70/1376883670.db2.gz YXYPJLIJUNXURA-GFCCVEGCSA-N 1 2 332.354 3.161 20 30 EGEDLO CCc1noc([C@@H]2CCC[N@@H+](Cc3c(F)cc(C#N)cc3F)C2)n1 ZINC001235665875 1376883675 /nfs/dbraw/zinc/88/36/75/1376883675.db2.gz YXYPJLIJUNXURA-GFCCVEGCSA-N 1 2 332.354 3.161 20 30 EGEDLO COc1cc(C[NH+]2CCOCC2)ccc1-c1ccc(F)c(C#N)c1 ZINC001235897581 1376914051 /nfs/dbraw/zinc/91/40/51/1376914051.db2.gz CKTQXACTGMJASF-UHFFFAOYSA-N 1 2 326.371 3.205 20 30 EGEDLO CC[C@H](CC(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1)C(C)C ZINC001268896199 1377530811 /nfs/dbraw/zinc/53/08/11/1377530811.db2.gz LXBHSCRULSTYLE-QGZVFWFLSA-N 1 2 345.462 3.318 20 30 EGEDLO C=CCOc1ccccc1C[N@@H+]1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC001139028997 1377819914 /nfs/dbraw/zinc/81/99/14/1377819914.db2.gz MLXBCLXDDXHFLX-LJQANCHMSA-N 1 2 334.419 3.264 20 30 EGEDLO C=CCOc1ccccc1C[N@H+]1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC001139028997 1377819917 /nfs/dbraw/zinc/81/99/17/1377819917.db2.gz MLXBCLXDDXHFLX-LJQANCHMSA-N 1 2 334.419 3.264 20 30 EGEDLO Cc1cc(F)ccc1N1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC001139650229 1377926557 /nfs/dbraw/zinc/92/65/57/1377926557.db2.gz WCNIJDVNLNMRHF-UHFFFAOYSA-N 1 2 327.378 3.467 20 30 EGEDLO Cc1ccc2[nH]nc(C[NH+]3CCN(c4cccc(C#N)c4)CC3)c2c1 ZINC001140333754 1378047860 /nfs/dbraw/zinc/04/78/60/1378047860.db2.gz PLQSLTMGQFHNSY-UHFFFAOYSA-N 1 2 331.423 3.065 20 30 EGEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cccc(Cl)c1F ZINC001273284083 1378094625 /nfs/dbraw/zinc/09/46/25/1378094625.db2.gz DZQJNRSMLIMSHN-SFHVURJKSA-N 1 2 334.822 3.069 20 30 EGEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(Cl)c1F ZINC001273284083 1378094627 /nfs/dbraw/zinc/09/46/27/1378094627.db2.gz DZQJNRSMLIMSHN-SFHVURJKSA-N 1 2 334.822 3.069 20 30 EGEDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(C#N)ccc2Cl)Cc2ccccc21 ZINC001140604260 1378096365 /nfs/dbraw/zinc/09/63/65/1378096365.db2.gz XJXUMNNHNIEZDD-QGZVFWFLSA-N 1 2 340.810 3.484 20 30 EGEDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Cl)Cc2ccccc21 ZINC001140604260 1378096366 /nfs/dbraw/zinc/09/63/66/1378096366.db2.gz XJXUMNNHNIEZDD-QGZVFWFLSA-N 1 2 340.810 3.484 20 30 EGEDLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141290068 1378293207 /nfs/dbraw/zinc/29/32/07/1378293207.db2.gz ZPCGPVLQPKEAPN-LJQANCHMSA-N 1 2 336.391 3.488 20 30 EGEDLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141290068 1378293211 /nfs/dbraw/zinc/29/32/11/1378293211.db2.gz ZPCGPVLQPKEAPN-LJQANCHMSA-N 1 2 336.391 3.488 20 30 EGEDLO COC(=O)[C@]1(F)CC[N@H+](Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001141972076 1378400368 /nfs/dbraw/zinc/40/03/68/1378400368.db2.gz AXWTURNNTFTINM-IBGZPJMESA-N 1 2 343.423 3.235 20 30 EGEDLO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001141972076 1378400369 /nfs/dbraw/zinc/40/03/69/1378400369.db2.gz AXWTURNNTFTINM-IBGZPJMESA-N 1 2 343.423 3.235 20 30 EGEDLO COC(=O)c1ccc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)o1 ZINC001142643161 1378467938 /nfs/dbraw/zinc/46/79/38/1378467938.db2.gz IPZYVDDUTRAHPN-UHFFFAOYSA-N 1 2 342.370 3.263 20 30 EGEDLO CC(C)(C)OC(=O)C[C@H]1CC[N@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143175996 1378554903 /nfs/dbraw/zinc/55/49/03/1378554903.db2.gz MYDGIMHXEPPVHM-GFCCVEGCSA-N 1 2 336.382 3.390 20 30 EGEDLO CC(C)(C)OC(=O)C[C@H]1CC[N@@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143175996 1378554905 /nfs/dbraw/zinc/55/49/05/1378554905.db2.gz MYDGIMHXEPPVHM-GFCCVEGCSA-N 1 2 336.382 3.390 20 30 EGEDLO COc1c(F)cccc1C[NH+]1CCN(c2cccc(C#N)c2)CC1 ZINC001143537028 1378612328 /nfs/dbraw/zinc/61/23/28/1378612328.db2.gz NMXIYOFHXYVGNU-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO COc1cccc(C(=O)C2CC[NH+](Cc3ccc(C#N)cn3)CC2)c1 ZINC001144154106 1378688813 /nfs/dbraw/zinc/68/88/13/1378688813.db2.gz ZVFKWHRVDAHCAE-UHFFFAOYSA-N 1 2 335.407 3.057 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1coc(C3CC3)n1)C2 ZINC001148129757 1379122799 /nfs/dbraw/zinc/12/27/99/1379122799.db2.gz INSTZYHPESYVEY-HNNXBMFYSA-N 1 2 343.471 3.189 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1coc(C3CC3)n1)C2 ZINC001148129757 1379122801 /nfs/dbraw/zinc/12/28/01/1379122801.db2.gz INSTZYHPESYVEY-HNNXBMFYSA-N 1 2 343.471 3.189 20 30 EGEDLO N#Cc1ccccc1Oc1ccc(NC(=O)Cc2c[nH]c[nH+]2)cc1F ZINC001148216231 1379134999 /nfs/dbraw/zinc/13/49/99/1379134999.db2.gz HYAODBYCSOXIQI-UHFFFAOYSA-N 1 2 336.326 3.394 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](CC)CCCC)C1 ZINC001149263943 1379356206 /nfs/dbraw/zinc/35/62/06/1379356206.db2.gz PNKWAAPGURUILI-HOTGVXAUSA-N 1 2 330.900 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](CC)CCCC)C1 ZINC001149263943 1379356213 /nfs/dbraw/zinc/35/62/13/1379356213.db2.gz PNKWAAPGURUILI-HOTGVXAUSA-N 1 2 330.900 3.162 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@H]1C[N@H+](CC=C(Cl)Cl)CCCO1 ZINC001150165017 1379506356 /nfs/dbraw/zinc/50/63/56/1379506356.db2.gz FQIZLTDHSAPABR-KGLIPLIRSA-N 1 2 349.302 3.115 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@H]1C[N@@H+](CC=C(Cl)Cl)CCCO1 ZINC001150165017 1379506364 /nfs/dbraw/zinc/50/63/64/1379506364.db2.gz FQIZLTDHSAPABR-KGLIPLIRSA-N 1 2 349.302 3.115 20 30 EGEDLO CC[N@H+](Cc1ncc(C(C)C)o1)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153266698 1380046630 /nfs/dbraw/zinc/04/66/30/1380046630.db2.gz ZRTVSJDSJCWHBU-OAHLLOKOSA-N 1 2 333.476 3.174 20 30 EGEDLO CC[N@@H+](Cc1ncc(C(C)C)o1)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153266698 1380046632 /nfs/dbraw/zinc/04/66/32/1380046632.db2.gz ZRTVSJDSJCWHBU-OAHLLOKOSA-N 1 2 333.476 3.174 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1nc(C)oc1C ZINC001153569966 1380096218 /nfs/dbraw/zinc/09/62/18/1380096218.db2.gz FTCFAYOBSLRKKS-CQSZACIVSA-N 1 2 333.476 3.386 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc(C)oc1C ZINC001153569966 1380096227 /nfs/dbraw/zinc/09/62/27/1380096227.db2.gz FTCFAYOBSLRKKS-CQSZACIVSA-N 1 2 333.476 3.386 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1nccs1 ZINC001153587833 1380098985 /nfs/dbraw/zinc/09/89/85/1380098985.db2.gz ACLHPWOBAIYYQC-LLVKDONJSA-N 1 2 329.897 3.248 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nccs1 ZINC001153587833 1380098987 /nfs/dbraw/zinc/09/89/87/1380098987.db2.gz ACLHPWOBAIYYQC-LLVKDONJSA-N 1 2 329.897 3.248 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2ncc(C(C)C)o2)CCC1 ZINC001153783453 1380128495 /nfs/dbraw/zinc/12/84/95/1380128495.db2.gz HXDALTKLFDOLAT-MRXNPFEDSA-N 1 2 345.487 3.318 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2ncc(C(C)C)o2)CCC1 ZINC001153783453 1380128496 /nfs/dbraw/zinc/12/84/96/1380128496.db2.gz HXDALTKLFDOLAT-MRXNPFEDSA-N 1 2 345.487 3.318 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@@H](C)[N@H+](CC)Cc1nc(C)cs1 ZINC001153830735 1380139064 /nfs/dbraw/zinc/13/90/64/1380139064.db2.gz GHQMVVFZJTVOPB-OAHLLOKOSA-N 1 2 346.500 3.079 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc(C)cs1 ZINC001153830735 1380139066 /nfs/dbraw/zinc/13/90/66/1380139066.db2.gz GHQMVVFZJTVOPB-OAHLLOKOSA-N 1 2 346.500 3.079 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C1(CCF)CC1 ZINC001154443979 1380278755 /nfs/dbraw/zinc/27/87/55/1380278755.db2.gz NWPPLWVFFCGKJS-CQSZACIVSA-N 1 2 349.425 3.164 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C1(CCF)CC1 ZINC001154443979 1380278756 /nfs/dbraw/zinc/27/87/56/1380278756.db2.gz NWPPLWVFFCGKJS-CQSZACIVSA-N 1 2 349.425 3.164 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@H]1CCC1(C)C ZINC001154737495 1380343604 /nfs/dbraw/zinc/34/36/04/1380343604.db2.gz YCCDIUVLUQLUMN-RDTXWAMCSA-N 1 2 345.462 3.460 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@H]1CCC1(C)C ZINC001154737495 1380343606 /nfs/dbraw/zinc/34/36/06/1380343606.db2.gz YCCDIUVLUQLUMN-RDTXWAMCSA-N 1 2 345.462 3.460 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1nccn1C(F)F ZINC001154742310 1380343954 /nfs/dbraw/zinc/34/39/54/1380343954.db2.gz CJAQITCYNZSEOM-UONOGXRCSA-N 1 2 342.434 3.207 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nccn1C(F)F ZINC001154742310 1380343955 /nfs/dbraw/zinc/34/39/55/1380343955.db2.gz CJAQITCYNZSEOM-UONOGXRCSA-N 1 2 342.434 3.207 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1noc2c1CCCC2 ZINC001154750979 1380345907 /nfs/dbraw/zinc/34/59/07/1380345907.db2.gz HVKCQPUZTBLXLQ-HZPDHXFCSA-N 1 2 347.503 3.482 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1noc2c1CCCC2 ZINC001154750979 1380345910 /nfs/dbraw/zinc/34/59/10/1380345910.db2.gz HVKCQPUZTBLXLQ-HZPDHXFCSA-N 1 2 347.503 3.482 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(Cl)n1C ZINC001154751152 1380346060 /nfs/dbraw/zinc/34/60/60/1380346060.db2.gz OPLLRWMMKHFLSP-KGLIPLIRSA-N 1 2 340.899 3.002 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(Cl)n1C ZINC001154751152 1380346062 /nfs/dbraw/zinc/34/60/62/1380346062.db2.gz OPLLRWMMKHFLSP-KGLIPLIRSA-N 1 2 340.899 3.002 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(Cl)[nH]1 ZINC001155088785 1380406499 /nfs/dbraw/zinc/40/64/99/1380406499.db2.gz LNHCARDVMIUOSF-SNVBAGLBSA-N 1 2 348.672 3.017 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(Cl)[nH]1 ZINC001155088785 1380406501 /nfs/dbraw/zinc/40/65/01/1380406501.db2.gz LNHCARDVMIUOSF-SNVBAGLBSA-N 1 2 348.672 3.017 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]c3cccc(C(F)(F)F)c32)CC1 ZINC001155311119 1380435618 /nfs/dbraw/zinc/43/56/18/1380435618.db2.gz BZVSERYGCCVDKO-UHFFFAOYSA-N 1 2 337.345 3.131 20 30 EGEDLO CCOc1ccc([C@@H](CO)Nc2[nH+]ccc3ccc(C#N)cc32)cn1 ZINC001155411220 1380448625 /nfs/dbraw/zinc/44/86/25/1380448625.db2.gz FINGQZDXOBRAIF-QGZVFWFLSA-N 1 2 334.379 3.046 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001155744344 1380488767 /nfs/dbraw/zinc/48/87/67/1380488767.db2.gz SUGPUDIZLHKFPY-ZNZDAUKMSA-N 1 2 343.446 3.070 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001155744344 1380488768 /nfs/dbraw/zinc/48/87/68/1380488768.db2.gz SUGPUDIZLHKFPY-ZNZDAUKMSA-N 1 2 343.446 3.070 20 30 EGEDLO COc1cc2[nH+]c(C)nc(NCCc3ccc(C#N)cc3)c2cc1OC ZINC001156835172 1380677658 /nfs/dbraw/zinc/67/76/58/1380677658.db2.gz CURHEYRQPKPOFP-UHFFFAOYSA-N 1 2 348.406 3.482 20 30 EGEDLO C#CCCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(C)s1 ZINC001157849960 1381051356 /nfs/dbraw/zinc/05/13/56/1381051356.db2.gz NBIGIUMLDXGMQM-QGZVFWFLSA-N 1 2 347.528 3.458 20 30 EGEDLO C#CCCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(C)s1 ZINC001157849960 1381051361 /nfs/dbraw/zinc/05/13/61/1381051361.db2.gz NBIGIUMLDXGMQM-QGZVFWFLSA-N 1 2 347.528 3.458 20 30 EGEDLO Cc1cnc([C@@H](C)[N@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)(C)C)o1 ZINC001157965252 1381085188 /nfs/dbraw/zinc/08/51/88/1381085188.db2.gz VXTQNFWUOCBRCT-IAGOWNOFSA-N 1 2 345.487 3.406 20 30 EGEDLO Cc1cnc([C@@H](C)[N@@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)(C)C)o1 ZINC001157965252 1381085192 /nfs/dbraw/zinc/08/51/92/1381085192.db2.gz VXTQNFWUOCBRCT-IAGOWNOFSA-N 1 2 345.487 3.406 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CCC2(C)CC2)C[C@H]1C ZINC001328280777 1388711618 /nfs/dbraw/zinc/71/16/18/1388711618.db2.gz VAQKQOHIGNCKHK-KGLIPLIRSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CCC2(C)CC2)C[C@H]1C ZINC001328280777 1388711622 /nfs/dbraw/zinc/71/16/22/1388711622.db2.gz VAQKQOHIGNCKHK-KGLIPLIRSA-N 1 2 343.309 3.444 20 30 EGEDLO Cc1nc(N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c(Cl)cc1C#N ZINC001158628434 1381331092 /nfs/dbraw/zinc/33/10/92/1381331092.db2.gz KWOXEBVRJFGMHW-AWEZNQCLSA-N 1 2 340.805 3.225 20 30 EGEDLO N#Cc1ncccc1Nc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001160351120 1382080260 /nfs/dbraw/zinc/08/02/60/1382080260.db2.gz ZXQRGTJBBHHGQZ-INIZCTEOSA-N 1 2 330.338 3.073 20 30 EGEDLO CCCc1cc(C#N)c(N[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)nc1Cl ZINC001160726927 1382179836 /nfs/dbraw/zinc/17/98/36/1382179836.db2.gz WHXOTWSLCAFOLI-CVEARBPZSA-N 1 2 348.878 3.224 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@H+](Cc2cc(C)on2)CC1 ZINC001160856815 1382217140 /nfs/dbraw/zinc/21/71/40/1382217140.db2.gz RLTDDURYQGTULI-UHFFFAOYSA-N 1 2 331.460 3.224 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2cc(C)on2)CC1 ZINC001160856815 1382217142 /nfs/dbraw/zinc/21/71/42/1382217142.db2.gz RLTDDURYQGTULI-UHFFFAOYSA-N 1 2 331.460 3.224 20 30 EGEDLO C=C1CCC(C(=O)NCCC2=CC[N@H+](Cc3cc(C)on3)CC2)CC1 ZINC001161121852 1382307856 /nfs/dbraw/zinc/30/78/56/1382307856.db2.gz VGRPQIRTBMCDJJ-UHFFFAOYSA-N 1 2 343.471 3.368 20 30 EGEDLO C=C1CCC(C(=O)NCCC2=CC[N@@H+](Cc3cc(C)on3)CC2)CC1 ZINC001161121852 1382307862 /nfs/dbraw/zinc/30/78/62/1382307862.db2.gz VGRPQIRTBMCDJJ-UHFFFAOYSA-N 1 2 343.471 3.368 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)[C@H](C)C(C)C)CC1 ZINC001161368370 1382386530 /nfs/dbraw/zinc/38/65/30/1382386530.db2.gz DFAMNSSDTXNARM-CQSZACIVSA-N 1 2 343.309 3.326 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)[C@H](C)C(C)C)CC1 ZINC001161368370 1382386533 /nfs/dbraw/zinc/38/65/33/1382386533.db2.gz DFAMNSSDTXNARM-CQSZACIVSA-N 1 2 343.309 3.326 20 30 EGEDLO N#CC1(c2cc[nH+]c(NCc3ccc(Br)nc3)c2)CC1 ZINC001162014323 1382601554 /nfs/dbraw/zinc/60/15/54/1382601554.db2.gz WWXBYXXWSFACER-UHFFFAOYSA-N 1 2 329.201 3.406 20 30 EGEDLO C=C(C)CCC(=O)NCCC1(C[NH2+]Cc2noc(CCCC)n2)CC1 ZINC001165258657 1383259142 /nfs/dbraw/zinc/25/91/42/1383259142.db2.gz KHEXKBORDQSSKF-UHFFFAOYSA-N 1 2 348.491 3.145 20 30 EGEDLO CC(C)C(=O)N1CC[C@@H]2CN(c3[nH+]ccc4ccc(C#N)cc43)CC[C@H]21 ZINC001166083960 1383388108 /nfs/dbraw/zinc/38/81/08/1383388108.db2.gz ZJDJUXDLAKXKDO-IEBWSBKVSA-N 1 2 348.450 3.190 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC1(C[NH2+]Cc2noc(C(C)C)n2)CC1 ZINC001166545893 1383436703 /nfs/dbraw/zinc/43/67/03/1383436703.db2.gz SQWVIJXYUUISKD-UHFFFAOYSA-N 1 2 348.491 3.171 20 30 EGEDLO C=C[C@H]1C[C@]1([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(=O)OCC ZINC001170364633 1384301407 /nfs/dbraw/zinc/30/14/07/1384301407.db2.gz BMVOBYQAUOLUDE-CTHNVIJVSA-N 1 2 338.451 3.488 20 30 EGEDLO C[C@@H]1c2cccn2CC[N@@H+]1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172989542 1384895070 /nfs/dbraw/zinc/89/50/70/1384895070.db2.gz ITERPVWMADDLFY-PMPSAXMXSA-N 1 2 344.459 3.156 20 30 EGEDLO C[C@@H]1c2cccn2CC[N@H+]1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172989542 1384895077 /nfs/dbraw/zinc/89/50/77/1384895077.db2.gz ITERPVWMADDLFY-PMPSAXMXSA-N 1 2 344.459 3.156 20 30 EGEDLO FC(F)(F)C(F)(F)C(F)(F)C[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173121306 1384918683 /nfs/dbraw/zinc/91/86/83/1384918683.db2.gz NIDBRILKNIJRFL-ZCFIWIBFSA-N 1 2 336.276 3.423 20 30 EGEDLO C=C[C@H]1C[C@]1([NH2+]C1CCC(Oc2ccccc2)CC1)C(=O)OCC ZINC001173200323 1384934652 /nfs/dbraw/zinc/93/46/52/1384934652.db2.gz MBCSIFDZSFVDOQ-XXCQWMQFSA-N 1 2 329.440 3.474 20 30 EGEDLO N#Cc1ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)s1 ZINC001174433272 1385108077 /nfs/dbraw/zinc/10/80/77/1385108077.db2.gz SAGJWUJZONBAQV-UHFFFAOYSA-N 1 2 329.425 3.074 20 30 EGEDLO Cc1cc(C#N)cc(Cl)c1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174976743 1385177264 /nfs/dbraw/zinc/17/72/64/1385177264.db2.gz FYKJINYTOHOPMO-UHFFFAOYSA-N 1 2 328.803 3.495 20 30 EGEDLO CC1(CCC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC001317949063 1385581555 /nfs/dbraw/zinc/58/15/55/1385581555.db2.gz DIFJTYUCLLBYHG-GOSISDBHSA-N 1 2 325.456 3.219 20 30 EGEDLO CC1(CCC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC001317949063 1385581559 /nfs/dbraw/zinc/58/15/59/1385581559.db2.gz DIFJTYUCLLBYHG-GOSISDBHSA-N 1 2 325.456 3.219 20 30 EGEDLO N#Cc1ccc(Nc2ccc[nH+]c2N2CCCC2)c(Br)n1 ZINC001176743746 1385679742 /nfs/dbraw/zinc/67/97/42/1385679742.db2.gz LGCPPGPNGKCOJB-UHFFFAOYSA-N 1 2 344.216 3.455 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2OCC[N@@H+](CC=C(C)C)[C@@H]2C1 ZINC001177020415 1385775567 /nfs/dbraw/zinc/77/55/67/1385775567.db2.gz ZDLDIUQOJAOLLK-RTBURBONSA-N 1 2 332.488 3.023 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2OCC[N@H+](CC=C(C)C)[C@@H]2C1 ZINC001177020415 1385775569 /nfs/dbraw/zinc/77/55/69/1385775569.db2.gz ZDLDIUQOJAOLLK-RTBURBONSA-N 1 2 332.488 3.023 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]3OCC[N@@H+](CC(=C)C)[C@@H]3C2)CCCCC1 ZINC001177150972 1385835074 /nfs/dbraw/zinc/83/50/74/1385835074.db2.gz RSFZGHUUJLOBBH-RTBURBONSA-N 1 2 346.515 3.391 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]3OCC[N@H+](CC(=C)C)[C@@H]3C2)CCCCC1 ZINC001177150972 1385835076 /nfs/dbraw/zinc/83/50/76/1385835076.db2.gz RSFZGHUUJLOBBH-RTBURBONSA-N 1 2 346.515 3.391 20 30 EGEDLO C=CCC1(C(=O)NCCC[NH2+]Cc2noc(CC(C)C)n2)CCCC1 ZINC001177548263 1385993313 /nfs/dbraw/zinc/99/33/13/1385993313.db2.gz SXABGXGLVAOSGH-UHFFFAOYSA-N 1 2 348.491 3.001 20 30 EGEDLO Cc1cccc(CCC(=O)N(C)CC[N@H+](C)Cc2ccccc2C#N)c1 ZINC001320028787 1386461524 /nfs/dbraw/zinc/46/15/24/1386461524.db2.gz BSUNSXYDSHJTLR-UHFFFAOYSA-N 1 2 349.478 3.390 20 30 EGEDLO Cc1cccc(CCC(=O)N(C)CC[N@@H+](C)Cc2ccccc2C#N)c1 ZINC001320028787 1386461527 /nfs/dbraw/zinc/46/15/27/1386461527.db2.gz BSUNSXYDSHJTLR-UHFFFAOYSA-N 1 2 349.478 3.390 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cccc(OCC(C)C)c1 ZINC001320081455 1386499225 /nfs/dbraw/zinc/49/92/25/1386499225.db2.gz XUHGWTBUOPKKDL-UHFFFAOYSA-N 1 2 338.879 3.478 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cccc(OCC(C)C)c1 ZINC001320081455 1386499230 /nfs/dbraw/zinc/49/92/30/1386499230.db2.gz XUHGWTBUOPKKDL-UHFFFAOYSA-N 1 2 338.879 3.478 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2cccc(C#N)n2)CC1 ZINC001179877761 1386616255 /nfs/dbraw/zinc/61/62/55/1386616255.db2.gz JEITYIUGHSTAGP-HNNXBMFYSA-N 1 2 340.858 3.485 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@H]([NH2+]Cc2csnn2)[C@@H]1C ZINC001179994293 1386662368 /nfs/dbraw/zinc/66/23/68/1386662368.db2.gz MAAWSQOTKGQUAZ-HOCLYGCPSA-N 1 2 338.521 3.368 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC001181696117 1387040677 /nfs/dbraw/zinc/04/06/77/1387040677.db2.gz IXXIHWARYHXVPQ-UHFFFAOYSA-N 1 2 346.780 3.232 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nc(CCCC)no2)C1 ZINC001182894266 1387240923 /nfs/dbraw/zinc/24/09/23/1387240923.db2.gz SLBPOEASVZDVLZ-LSDHHAIUSA-N 1 2 348.491 3.266 20 30 EGEDLO CCOc1ccc(C(=O)/C=C/c2ccc[nH+]c2N(C)C)cc1[N+](=O)[O-] ZINC001322820244 1387242669 /nfs/dbraw/zinc/24/26/69/1387242669.db2.gz QMWIIOIINQEETF-VQHVLOKHSA-N 1 2 341.367 3.351 20 30 EGEDLO C=C(Br)C[N@H+]1CCCCC[C@@H]1CNC(=O)C1(CC)CC1 ZINC001329935844 1389264196 /nfs/dbraw/zinc/26/41/96/1389264196.db2.gz GDBFRXQCEDDQEL-CQSZACIVSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C1(CC)CC1 ZINC001329935844 1389264198 /nfs/dbraw/zinc/26/41/98/1389264198.db2.gz GDBFRXQCEDDQEL-CQSZACIVSA-N 1 2 343.309 3.446 20 30 EGEDLO C=CCN(C)c1nnc([C@H]2CCCC[N@@H+]2Cc2ccccc2)n1C ZINC001338396304 1389668979 /nfs/dbraw/zinc/66/89/79/1389668979.db2.gz YWOYCVDTKAYOIQ-QGZVFWFLSA-N 1 2 325.460 3.165 20 30 EGEDLO C=CCN(C)c1nnc([C@H]2CCCC[N@H+]2Cc2ccccc2)n1C ZINC001338396304 1389668985 /nfs/dbraw/zinc/66/89/85/1389668985.db2.gz YWOYCVDTKAYOIQ-QGZVFWFLSA-N 1 2 325.460 3.165 20 30 EGEDLO N#CC1(c2ccccc2)CC([NH2+]Cc2nnc(-c3ccccc3)[nH]2)C1 ZINC001338632920 1389719328 /nfs/dbraw/zinc/71/93/28/1389719328.db2.gz ZBBZOARXHVMZFI-UHFFFAOYSA-N 1 2 329.407 3.185 20 30 EGEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001340297098 1390267164 /nfs/dbraw/zinc/26/71/64/1390267164.db2.gz JISGBOJISYFDOT-QGZVFWFLSA-N 1 2 329.492 3.219 20 30 EGEDLO CCO[C@@H]1C[C@]([NH2+]CCCCC2(C#N)CCC2)(C(=O)OC)C1(C)C ZINC001333438851 1390304308 /nfs/dbraw/zinc/30/43/08/1390304308.db2.gz FIUXPBAZDCZLQN-BEFAXECRSA-N 1 2 336.476 3.187 20 30 EGEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)CCC(C)C ZINC001340626816 1390331063 /nfs/dbraw/zinc/33/10/63/1390331063.db2.gz DDKLPOSKCKWERU-UHFFFAOYSA-N 1 2 344.507 3.039 20 30 EGEDLO CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)C[C@H](C)C#N ZINC001341021824 1390426850 /nfs/dbraw/zinc/42/68/50/1390426850.db2.gz MVHVOELGHPXVBG-CVEARBPZSA-N 1 2 340.475 3.087 20 30 EGEDLO CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)C[C@H](C)C#N ZINC001341021824 1390426851 /nfs/dbraw/zinc/42/68/51/1390426851.db2.gz MVHVOELGHPXVBG-CVEARBPZSA-N 1 2 340.475 3.087 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)CCC(F)(F)F ZINC001342676758 1390640274 /nfs/dbraw/zinc/64/02/74/1390640274.db2.gz YPLZUFAROASSRT-GFCCVEGCSA-N 1 2 331.386 3.010 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N(C)CCC(F)(F)F ZINC001342676758 1390640278 /nfs/dbraw/zinc/64/02/78/1390640278.db2.gz YPLZUFAROASSRT-GFCCVEGCSA-N 1 2 331.386 3.010 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCCC[C@H](SC)C1 ZINC001343457733 1390715333 /nfs/dbraw/zinc/71/53/33/1390715333.db2.gz QUWQTNIWYYFUOJ-HOTGVXAUSA-N 1 2 349.548 3.343 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCCC[C@H](SC)C1 ZINC001343457733 1390715334 /nfs/dbraw/zinc/71/53/34/1390715334.db2.gz QUWQTNIWYYFUOJ-HOTGVXAUSA-N 1 2 349.548 3.343 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001343553371 1390722264 /nfs/dbraw/zinc/72/22/64/1390722264.db2.gz HCHXROJJIWLKGN-CVEARBPZSA-N 1 2 341.459 3.208 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001343553371 1390722265 /nfs/dbraw/zinc/72/22/65/1390722265.db2.gz HCHXROJJIWLKGN-CVEARBPZSA-N 1 2 341.459 3.208 20 30 EGEDLO C=CC[C@@H]1CCCN(c2nnc([C@@H]3CCC[N@@H+]3C)n2CC(C)C)C1 ZINC001344489576 1390794890 /nfs/dbraw/zinc/79/48/90/1390794890.db2.gz KYTHTWWOAAQTQN-SJORKVTESA-N 1 2 331.508 3.493 20 30 EGEDLO C=CC[C@@H]1CCCN(c2nnc([C@@H]3CCC[N@H+]3C)n2CC(C)C)C1 ZINC001344489576 1390794891 /nfs/dbraw/zinc/79/48/91/1390794891.db2.gz KYTHTWWOAAQTQN-SJORKVTESA-N 1 2 331.508 3.493 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)C[C@H]1CCCCO1 ZINC001346627312 1390962865 /nfs/dbraw/zinc/96/28/65/1390962865.db2.gz KYFZYUQNCKTING-IAGOWNOFSA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)C[C@H]1CCCCO1 ZINC001346627312 1390962866 /nfs/dbraw/zinc/96/28/66/1390962866.db2.gz KYFZYUQNCKTING-IAGOWNOFSA-N 1 2 347.507 3.016 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@@H](CC)O[C@@H](CC)C1 ZINC001351615505 1391657980 /nfs/dbraw/zinc/65/79/80/1391657980.db2.gz JQJGRROUIHIVMG-BBWFWOEESA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@@H](CC)O[C@@H](CC)C1 ZINC001351615505 1391657982 /nfs/dbraw/zinc/65/79/82/1391657982.db2.gz JQJGRROUIHIVMG-BBWFWOEESA-N 1 2 347.507 3.015 20 30 EGEDLO N#CC[C@H](C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC001352915581 1391880101 /nfs/dbraw/zinc/88/01/01/1391880101.db2.gz UJAZAKVIGHPYFR-FQEVSTJZSA-N 1 2 349.434 3.155 20 30 EGEDLO C=C(C)CCC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC001353565900 1392040778 /nfs/dbraw/zinc/04/07/78/1392040778.db2.gz VRNFCBODDLRBED-GOSISDBHSA-N 1 2 330.472 3.092 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(Cc3ccccc3)CCC2)C1 ZINC001479954887 1392492143 /nfs/dbraw/zinc/49/21/43/1392492143.db2.gz GMODUTFJGSHWGD-KRWDZBQOSA-N 1 2 332.875 3.342 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(Cc3ccccc3)CCC2)C1 ZINC001479954887 1392492144 /nfs/dbraw/zinc/49/21/44/1392492144.db2.gz GMODUTFJGSHWGD-KRWDZBQOSA-N 1 2 332.875 3.342 20 30 EGEDLO CCC1(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cc(C#N)ccc2F)CC1 ZINC001480325080 1392685121 /nfs/dbraw/zinc/68/51/21/1392685121.db2.gz TZZFKJQBSXRZFY-QGZVFWFLSA-N 1 2 343.446 3.358 20 30 EGEDLO CCC1(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cc(C#N)ccc2F)CC1 ZINC001480325080 1392685122 /nfs/dbraw/zinc/68/51/22/1392685122.db2.gz TZZFKJQBSXRZFY-QGZVFWFLSA-N 1 2 343.446 3.358 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)c2cccc3[nH]c(C)nc32)C1 ZINC001481503495 1394350123 /nfs/dbraw/zinc/35/01/23/1394350123.db2.gz FGUICZBNDSYBKA-CQSZACIVSA-N 1 2 346.862 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc3[nH]c(C)nc32)C1 ZINC001481503495 1394350127 /nfs/dbraw/zinc/35/01/27/1394350127.db2.gz FGUICZBNDSYBKA-CQSZACIVSA-N 1 2 346.862 3.018 20 30 EGEDLO CC(C)CCCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001481706761 1394465064 /nfs/dbraw/zinc/46/50/64/1394465064.db2.gz PXSVHCMJKZUDRH-QGZVFWFLSA-N 1 2 331.435 3.214 20 30 EGEDLO CC(C)CCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001481706761 1394465071 /nfs/dbraw/zinc/46/50/71/1394465071.db2.gz PXSVHCMJKZUDRH-QGZVFWFLSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001482061502 1394722633 /nfs/dbraw/zinc/72/26/33/1394722633.db2.gz HIDIOQONVBRPOM-LSDHHAIUSA-N 1 2 348.491 3.050 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@H]1CCCC1(C)C ZINC001698993500 1406788098 /nfs/dbraw/zinc/78/80/98/1406788098.db2.gz JDAIRPLIRPBUQZ-QGZVFWFLSA-N 1 2 345.462 3.414 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@H]1CCCC1(C)C ZINC001698993500 1406788099 /nfs/dbraw/zinc/78/80/99/1406788099.db2.gz JDAIRPLIRPBUQZ-QGZVFWFLSA-N 1 2 345.462 3.414 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](CC)Cc2cccc(C)c2)C1 ZINC001494598724 1396483395 /nfs/dbraw/zinc/48/33/95/1396483395.db2.gz LVAOCWJEPNCPOS-GOSISDBHSA-N 1 2 334.891 3.364 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1csc(CC(C)C)n1 ZINC001498466526 1397019161 /nfs/dbraw/zinc/01/91/61/1397019161.db2.gz UWXFZWFJTMMCBG-LBPRGKRZSA-N 1 2 329.897 3.144 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1csc(CC(C)C)n1 ZINC001498466526 1397019188 /nfs/dbraw/zinc/01/91/88/1397019188.db2.gz UWXFZWFJTMMCBG-LBPRGKRZSA-N 1 2 329.897 3.144 20 30 EGEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)c1ccoc1C1CC1)C1CC1 ZINC001691223010 1405164480 /nfs/dbraw/zinc/16/44/80/1405164480.db2.gz QOWAZSXRXSHPGD-UHFFFAOYSA-N 1 2 349.434 3.423 20 30 EGEDLO N#Cc1ccccc1C[N@H+](CCNC(=O)c1ccoc1C1CC1)C1CC1 ZINC001691223010 1405164482 /nfs/dbraw/zinc/16/44/82/1405164482.db2.gz QOWAZSXRXSHPGD-UHFFFAOYSA-N 1 2 349.434 3.423 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cnoc1-c1ccccc1)C1CC1 ZINC001691232629 1405171074 /nfs/dbraw/zinc/17/10/74/1405171074.db2.gz HGZINSPYRTYUPF-UHFFFAOYSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cnoc1-c1ccccc1)C1CC1 ZINC001691232629 1405171075 /nfs/dbraw/zinc/17/10/75/1405171075.db2.gz HGZINSPYRTYUPF-UHFFFAOYSA-N 1 2 345.830 3.288 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)C(C)(C)C1CC1 ZINC001691653425 1405386065 /nfs/dbraw/zinc/38/60/65/1405386065.db2.gz WFLHXIPKHZRABO-GOSISDBHSA-N 1 2 325.456 3.027 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)C(C)(C)C1CC1 ZINC001691653425 1405386066 /nfs/dbraw/zinc/38/60/66/1405386066.db2.gz WFLHXIPKHZRABO-GOSISDBHSA-N 1 2 325.456 3.027 20 30 EGEDLO Cc1nnc(N(CCC#N)CC2CC2)n1CCCc1cccc(C)[nH+]1 ZINC001693203374 1406009591 /nfs/dbraw/zinc/00/95/91/1406009591.db2.gz PSVGQGUSBLVBAP-UHFFFAOYSA-N 1 2 338.459 3.053 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001732090674 1428356229 /nfs/dbraw/zinc/35/62/29/1428356229.db2.gz BIPLXWOKOHGFQJ-OAHLLOKOSA-N 1 2 331.460 3.235 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC001732090674 1428356235 /nfs/dbraw/zinc/35/62/35/1428356235.db2.gz BIPLXWOKOHGFQJ-OAHLLOKOSA-N 1 2 331.460 3.235 20 30 EGEDLO CC1(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)CCCCC1 ZINC001699632516 1413003879 /nfs/dbraw/zinc/00/38/79/1413003879.db2.gz JWDLHVLLEAGKCX-AWEZNQCLSA-N 1 2 331.485 3.281 20 30 EGEDLO CC1(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)CCCCC1 ZINC001699632516 1413003889 /nfs/dbraw/zinc/00/38/89/1413003889.db2.gz JWDLHVLLEAGKCX-AWEZNQCLSA-N 1 2 331.485 3.281 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@H](C)CCC)CC1 ZINC001699771927 1413179563 /nfs/dbraw/zinc/17/95/63/1413179563.db2.gz QREDTOZQUJQPFL-GFCCVEGCSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCc2ccccc2F)[C@@H]1C ZINC001700890424 1414549490 /nfs/dbraw/zinc/54/94/90/1414549490.db2.gz WDRUUXFGLSHPNM-WMLDXEAASA-N 1 2 338.854 3.480 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCc2ccccc2F)[C@@H]1C ZINC001700890424 1414549492 /nfs/dbraw/zinc/54/94/92/1414549492.db2.gz WDRUUXFGLSHPNM-WMLDXEAASA-N 1 2 338.854 3.480 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCOc1cc(C)ccc1C ZINC001732597134 1428837540 /nfs/dbraw/zinc/83/75/40/1428837540.db2.gz AYKMWPQVILTZPJ-UHFFFAOYSA-N 1 2 338.879 3.215 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCOc1cc(C)ccc1C ZINC001732597134 1428837551 /nfs/dbraw/zinc/83/75/51/1428837551.db2.gz AYKMWPQVILTZPJ-UHFFFAOYSA-N 1 2 338.879 3.215 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CCc2cc(F)ccc2F)C1 ZINC001714024746 1418808634 /nfs/dbraw/zinc/80/86/34/1418808634.db2.gz INEMAXJEPVEQPK-OAHLLOKOSA-N 1 2 342.817 3.183 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CCc2cc(F)ccc2F)C1 ZINC001714024746 1418808638 /nfs/dbraw/zinc/80/86/38/1418808638.db2.gz INEMAXJEPVEQPK-OAHLLOKOSA-N 1 2 342.817 3.183 20 30 EGEDLO CC(C)CCC(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001714922598 1419676066 /nfs/dbraw/zinc/67/60/66/1419676066.db2.gz UPEPTIJCKOVBAV-KRWDZBQOSA-N 1 2 331.435 3.214 20 30 EGEDLO CC(C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001714922598 1419676068 /nfs/dbraw/zinc/67/60/68/1419676068.db2.gz UPEPTIJCKOVBAV-KRWDZBQOSA-N 1 2 331.435 3.214 20 30 EGEDLO CCC1(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)CCCC1 ZINC001733230202 1429362532 /nfs/dbraw/zinc/36/25/32/1429362532.db2.gz QLXHSYHVEGSFQY-CQSZACIVSA-N 1 2 331.485 3.281 20 30 EGEDLO CCC1(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)CCCC1 ZINC001733230202 1429362536 /nfs/dbraw/zinc/36/25/36/1429362536.db2.gz QLXHSYHVEGSFQY-CQSZACIVSA-N 1 2 331.485 3.281 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C(C)(C)c2ccc(C)cc2)C1 ZINC001717559224 1421495322 /nfs/dbraw/zinc/49/53/22/1421495322.db2.gz FMBOJMUREGUHBR-HNNXBMFYSA-N 1 2 334.891 3.462 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C2)CCC1 ZINC001731374133 1427304710 /nfs/dbraw/zinc/30/47/10/1427304710.db2.gz HBZSBDRLGWVTSP-OAHLLOKOSA-N 1 2 334.410 3.402 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C2)CCC1 ZINC001731374133 1427304715 /nfs/dbraw/zinc/30/47/15/1427304715.db2.gz HBZSBDRLGWVTSP-OAHLLOKOSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@]1(C)CCc2ccccc2C1 ZINC001731816429 1428012405 /nfs/dbraw/zinc/01/24/05/1428012405.db2.gz KSYZCZSZGVQQRH-IBGZPJMESA-N 1 2 334.891 3.372 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@]1(C)CCc2ccccc2C1 ZINC001731816429 1428012410 /nfs/dbraw/zinc/01/24/10/1428012410.db2.gz KSYZCZSZGVQQRH-IBGZPJMESA-N 1 2 334.891 3.372 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCNC(=O)c1c(C)cccc1C ZINC001752071239 1440137718 /nfs/dbraw/zinc/13/77/18/1440137718.db2.gz UUTCISQYAIPQSU-UHFFFAOYSA-N 1 2 339.277 3.264 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCNC(=O)c1c(C)cccc1C ZINC001752071239 1440137719 /nfs/dbraw/zinc/13/77/19/1440137719.db2.gz UUTCISQYAIPQSU-UHFFFAOYSA-N 1 2 339.277 3.264 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(C)s2)C1 ZINC001752783876 1440210191 /nfs/dbraw/zinc/21/01/91/1440210191.db2.gz QRXVDHDQWXGCLB-HIFRSBDPSA-N 1 2 336.505 3.092 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)c2nnc(C)s2)C1 ZINC001752783876 1440210192 /nfs/dbraw/zinc/21/01/92/1440210192.db2.gz QRXVDHDQWXGCLB-HIFRSBDPSA-N 1 2 336.505 3.092 20 30 EGEDLO CC(C)(C)C#CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1F ZINC001752818536 1440219122 /nfs/dbraw/zinc/21/91/22/1440219122.db2.gz DZSYVJIQDFVABB-KRWDZBQOSA-N 1 2 348.437 3.485 20 30 EGEDLO CC(C)(C)C#CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1F ZINC001752818536 1440219123 /nfs/dbraw/zinc/21/91/23/1440219123.db2.gz DZSYVJIQDFVABB-KRWDZBQOSA-N 1 2 348.437 3.485 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCCCO1 ZINC001752822567 1440221460 /nfs/dbraw/zinc/22/14/60/1440221460.db2.gz KBKJLAQHJSKASN-JKSUJKDBSA-N 1 2 328.884 3.059 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCCCO1 ZINC001752822567 1440221461 /nfs/dbraw/zinc/22/14/61/1440221461.db2.gz KBKJLAQHJSKASN-JKSUJKDBSA-N 1 2 328.884 3.059 20 30 EGEDLO C[N@H+](CCNC(=O)[C@H]1CCCc2ccccc21)Cc1ccccc1C#N ZINC001753056643 1440281887 /nfs/dbraw/zinc/28/18/87/1440281887.db2.gz WIBPMOCDWADBJV-NRFANRHFSA-N 1 2 347.462 3.226 20 30 EGEDLO C[N@@H+](CCNC(=O)[C@H]1CCCc2ccccc21)Cc1ccccc1C#N ZINC001753056643 1440281888 /nfs/dbraw/zinc/28/18/88/1440281888.db2.gz WIBPMOCDWADBJV-NRFANRHFSA-N 1 2 347.462 3.226 20 30 EGEDLO C[N@H+](CCNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)Cc1cc(C#N)ccc1F ZINC001753058169 1440282318 /nfs/dbraw/zinc/28/23/18/1440282318.db2.gz MASHCQKPYUKKAD-BJWYYQGGSA-N 1 2 343.446 3.072 20 30 EGEDLO C[N@@H+](CCNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)Cc1cc(C#N)ccc1F ZINC001753058169 1440282319 /nfs/dbraw/zinc/28/23/19/1440282319.db2.gz MASHCQKPYUKKAD-BJWYYQGGSA-N 1 2 343.446 3.072 20 30 EGEDLO C[C@H](c1c(F)cccc1F)[N@@H+]1CCC[C@H]1CNC(=O)C#CC1CC1 ZINC001753102020 1440304772 /nfs/dbraw/zinc/30/47/72/1440304772.db2.gz BXSQPRYGTPYVOQ-HIFRSBDPSA-N 1 2 332.394 3.020 20 30 EGEDLO C[C@H](c1c(F)cccc1F)[N@H+]1CCC[C@H]1CNC(=O)C#CC1CC1 ZINC001753102020 1440304773 /nfs/dbraw/zinc/30/47/73/1440304773.db2.gz BXSQPRYGTPYVOQ-HIFRSBDPSA-N 1 2 332.394 3.020 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(c2ccccc2)CCCO1 ZINC001753115015 1440310709 /nfs/dbraw/zinc/31/07/09/1440310709.db2.gz AXQNNSGSKTUAFT-PKOBYXMFSA-N 1 2 348.874 3.025 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@]1(c2ccccc2)CCCO1 ZINC001753115015 1440310710 /nfs/dbraw/zinc/31/07/10/1440310710.db2.gz AXQNNSGSKTUAFT-PKOBYXMFSA-N 1 2 348.874 3.025 20 30 EGEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)Cc1cccs1 ZINC001753140503 1440320963 /nfs/dbraw/zinc/32/09/63/1440320963.db2.gz MADVJLQFVIXMIC-UHFFFAOYSA-N 1 2 345.306 3.027 20 30 EGEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)Cc1cccs1 ZINC001753140503 1440320964 /nfs/dbraw/zinc/32/09/64/1440320964.db2.gz MADVJLQFVIXMIC-UHFFFAOYSA-N 1 2 345.306 3.027 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1sc(Cl)nc1C)C1CC1 ZINC001753156564 1440331089 /nfs/dbraw/zinc/33/10/89/1440331089.db2.gz WFALLKHIMONMMV-UHFFFAOYSA-N 1 2 334.272 3.052 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1sc(Cl)nc1C)C1CC1 ZINC001753156564 1440331090 /nfs/dbraw/zinc/33/10/90/1440331090.db2.gz WFALLKHIMONMMV-UHFFFAOYSA-N 1 2 334.272 3.052 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H]([NH2+]Cc2cnc(C)o2)c2ccccc2)C1 ZINC001753301886 1440354232 /nfs/dbraw/zinc/35/42/32/1440354232.db2.gz QBKWHNWMPOBRFD-GOSISDBHSA-N 1 2 339.439 3.286 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)CC2(OC)CCC2)C1 ZINC001753315542 1440359277 /nfs/dbraw/zinc/35/92/77/1440359277.db2.gz BCWRNZQWEWDZBY-HNNXBMFYSA-N 1 2 328.884 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)CC2(OC)CCC2)C1 ZINC001753315542 1440359278 /nfs/dbraw/zinc/35/92/78/1440359278.db2.gz BCWRNZQWEWDZBY-HNNXBMFYSA-N 1 2 328.884 3.011 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cccn3nccc23)C1 ZINC001753316982 1440360312 /nfs/dbraw/zinc/36/03/12/1440360312.db2.gz FKBNWUCNZULHEX-HNNXBMFYSA-N 1 2 346.862 3.013 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cccn3nccc23)C1 ZINC001753316982 1440360313 /nfs/dbraw/zinc/36/03/13/1440360313.db2.gz FKBNWUCNZULHEX-HNNXBMFYSA-N 1 2 346.862 3.013 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cnc3cc[nH]c3c2)C1 ZINC001753317766 1440360891 /nfs/dbraw/zinc/36/08/91/1440360891.db2.gz VQJUMZNSGREMAI-HNNXBMFYSA-N 1 2 346.862 3.242 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cnc3cc[nH]c3c2)C1 ZINC001753317766 1440360892 /nfs/dbraw/zinc/36/08/92/1440360892.db2.gz VQJUMZNSGREMAI-HNNXBMFYSA-N 1 2 346.862 3.242 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCc2cc(Cl)cs2)C1 ZINC001753411403 1440393189 /nfs/dbraw/zinc/39/31/89/1440393189.db2.gz MUIKIYVEEALTOM-UHFFFAOYSA-N 1 2 333.284 3.135 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)/C=C\C(C)(C)C)C1 ZINC001753430861 1440398346 /nfs/dbraw/zinc/39/83/46/1440398346.db2.gz CYAIRQYGWGRSNI-FWPCIQOSSA-N 1 2 329.282 3.030 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)/C=C\C(C)(C)C)C1 ZINC001753430861 1440398347 /nfs/dbraw/zinc/39/83/47/1440398347.db2.gz CYAIRQYGWGRSNI-FWPCIQOSSA-N 1 2 329.282 3.030 20 30 EGEDLO C=CC1(CC(=O)NC[C@H](CC)[NH2+][C@@H](C)c2nc(C)no2)CCCCC1 ZINC001753488698 1440418716 /nfs/dbraw/zinc/41/87/16/1440418716.db2.gz RJGNQEOWKUHWKF-HOCLYGCPSA-N 1 2 348.491 3.450 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H](CC)[NH2+][C@@H](C)c2nc(C(C)C)no2)CC1 ZINC001753490036 1440419149 /nfs/dbraw/zinc/41/91/49/1440419149.db2.gz ORCDKMIITVXIIL-HOCLYGCPSA-N 1 2 348.491 3.485 20 30 EGEDLO CC(C(=O)N(C)CC[N@H+](C)Cc1cc(F)ccc1C#N)=C1CCCC1 ZINC001753850700 1440506765 /nfs/dbraw/zinc/50/67/65/1440506765.db2.gz DAGAGMLKGKJPDP-UHFFFAOYSA-N 1 2 343.446 3.478 20 30 EGEDLO CC(C(=O)N(C)CC[N@@H+](C)Cc1cc(F)ccc1C#N)=C1CCCC1 ZINC001753850700 1440506766 /nfs/dbraw/zinc/50/67/66/1440506766.db2.gz DAGAGMLKGKJPDP-UHFFFAOYSA-N 1 2 343.446 3.478 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc2nc(C)sc2c1 ZINC001754331264 1440583823 /nfs/dbraw/zinc/58/38/23/1440583823.db2.gz RWWGSRCPLPXCCB-NSHDSACASA-N 1 2 337.876 3.407 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccc2nc(C)sc2c1 ZINC001754331264 1440583824 /nfs/dbraw/zinc/58/38/24/1440583824.db2.gz RWWGSRCPLPXCCB-NSHDSACASA-N 1 2 337.876 3.407 20 30 EGEDLO N#CC[N@H+](CC1CC1)C1CCN(C(=O)c2csc(Cl)c2)CC1 ZINC001754549097 1440629089 /nfs/dbraw/zinc/62/90/89/1440629089.db2.gz QVPVHIQRRUZHHT-UHFFFAOYSA-N 1 2 337.876 3.242 20 30 EGEDLO N#CC[N@@H+](CC1CC1)C1CCN(C(=O)c2csc(Cl)c2)CC1 ZINC001754549097 1440629090 /nfs/dbraw/zinc/62/90/90/1440629090.db2.gz QVPVHIQRRUZHHT-UHFFFAOYSA-N 1 2 337.876 3.242 20 30 EGEDLO N#CC[N@H+](CC1CC1)C1CCN(C(=O)c2ccc3ccccc3n2)CC1 ZINC001754549285 1440629441 /nfs/dbraw/zinc/62/94/41/1440629441.db2.gz ZFFKKLIYTXXSIY-UHFFFAOYSA-N 1 2 348.450 3.075 20 30 EGEDLO N#CC[N@@H+](CC1CC1)C1CCN(C(=O)c2ccc3ccccc3n2)CC1 ZINC001754549285 1440629442 /nfs/dbraw/zinc/62/94/42/1440629442.db2.gz ZFFKKLIYTXXSIY-UHFFFAOYSA-N 1 2 348.450 3.075 20 30 EGEDLO CC(C)C#CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(F)cc1 ZINC001754552537 1440630313 /nfs/dbraw/zinc/63/03/13/1440630313.db2.gz JYDIXRQWRWLTTJ-KDURUIRLSA-N 1 2 328.431 3.050 20 30 EGEDLO CC(C)C#CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1 ZINC001754552537 1440630314 /nfs/dbraw/zinc/63/03/14/1440630314.db2.gz JYDIXRQWRWLTTJ-KDURUIRLSA-N 1 2 328.431 3.050 20 30 EGEDLO C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)c2cn(CC)nc2C)CC1 ZINC001754720426 1440672951 /nfs/dbraw/zinc/67/29/51/1440672951.db2.gz MEWULQYUROCOCF-INIZCTEOSA-N 1 2 346.519 3.398 20 30 EGEDLO C=CC(C)(C)C(=O)NCc1ccc([C@H](C)[NH2+]Cc2nonc2C)cc1 ZINC001754949131 1440714542 /nfs/dbraw/zinc/71/45/42/1440714542.db2.gz WPHHPZMLOIWJLG-ZDUSSCGKSA-N 1 2 342.443 3.057 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[NH+]([C@@H](C)c1csnn1)CC2 ZINC001754960869 1440717485 /nfs/dbraw/zinc/71/74/85/1440717485.db2.gz ZJLLCHYCDBFIOT-GJZGRUSLSA-N 1 2 348.516 3.126 20 30 EGEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)CCCC[C@H](C)CC)C2)CC1 ZINC001755019999 1440726566 /nfs/dbraw/zinc/72/65/66/1440726566.db2.gz WENWFICJAYAPQC-UXHICEINSA-N 1 2 349.563 3.388 20 30 EGEDLO C=CCCC(=O)N[C@H]1COC2(C[NH+](Cc3ccc(CCC)cc3)C2)C1 ZINC001755057670 1440743945 /nfs/dbraw/zinc/74/39/45/1440743945.db2.gz BDTYBCHKHKAJFL-LJQANCHMSA-N 1 2 342.483 3.065 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)/C(C)=C\CC)C[C@@H]1C ZINC001755158581 1440763911 /nfs/dbraw/zinc/76/39/11/1440763911.db2.gz XEQBIASOHKBMGM-BJLYVFBQSA-N 1 2 329.282 3.220 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)/C(C)=C\CC)C[C@@H]1C ZINC001755158581 1440763912 /nfs/dbraw/zinc/76/39/12/1440763912.db2.gz XEQBIASOHKBMGM-BJLYVFBQSA-N 1 2 329.282 3.220 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2nc(C)oc2C)CCC1 ZINC001755198514 1440778328 /nfs/dbraw/zinc/77/83/28/1440778328.db2.gz BGSMVSJTKDLJJW-KRWDZBQOSA-N 1 2 345.487 3.461 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2nc(C)oc2C)CCC1 ZINC001755198514 1440778329 /nfs/dbraw/zinc/77/83/29/1440778329.db2.gz BGSMVSJTKDLJJW-KRWDZBQOSA-N 1 2 345.487 3.461 20 30 EGEDLO C[C@H](CNC(=O)C1(C)CCCC1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001755310378 1440813338 /nfs/dbraw/zinc/81/33/38/1440813338.db2.gz UKXBNULJPJEJTM-CQSZACIVSA-N 1 2 331.435 3.214 20 30 EGEDLO C[C@H](CNC(=O)C1(C)CCCC1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001755310378 1440813339 /nfs/dbraw/zinc/81/33/39/1440813339.db2.gz UKXBNULJPJEJTM-CQSZACIVSA-N 1 2 331.435 3.214 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2nc3c(o2)CCCC3)[C@H]1C ZINC001755718400 1440906428 /nfs/dbraw/zinc/90/64/28/1440906428.db2.gz ZORWKHPDRAPFAO-GJZGRUSLSA-N 1 2 345.487 3.235 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2nc3c(o2)CCCC3)[C@H]1C ZINC001755718400 1440906429 /nfs/dbraw/zinc/90/64/29/1440906429.db2.gz ZORWKHPDRAPFAO-GJZGRUSLSA-N 1 2 345.487 3.235 20 30 EGEDLO C=CC[NH+]1CCN(C(F)(F)c2cc(Cl)nc3c2CCC3)CC1 ZINC001165034225 721874089 /nfs/dbraw/zinc/87/40/89/721874089.db2.gz HIPXJBVJNVDRKO-UHFFFAOYSA-N 1 2 327.806 3.077 20 30 EGEDLO C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000175118008 231388650 /nfs/dbraw/zinc/38/86/50/231388650.db2.gz ZAXVJMAAUAYSSG-AWEZNQCLSA-N 1 2 339.443 3.122 20 30 EGEDLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)o1 ZINC000184853587 529711366 /nfs/dbraw/zinc/71/13/66/529711366.db2.gz YVLPQDKYGMICDZ-SUMWQHHRSA-N 1 2 341.411 3.018 20 30 EGEDLO COCCOc1ccc(C#N)cc1NCc1c[nH+]c2ccc(C)cn12 ZINC000184325407 235367955 /nfs/dbraw/zinc/36/79/55/235367955.db2.gz FCIRDOBYBXZFQM-UHFFFAOYSA-N 1 2 336.395 3.152 20 30 EGEDLO Cc1nc2c(s1)[C@H]([N@H+](C)CC(=O)Nc1sccc1C#N)CCC2 ZINC000111313358 220136463 /nfs/dbraw/zinc/13/64/63/220136463.db2.gz DPONUEWDIKXBCX-CYBMUJFWSA-N 1 2 346.481 3.333 20 30 EGEDLO Cc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)Nc1sccc1C#N)CCC2 ZINC000111313358 220136464 /nfs/dbraw/zinc/13/64/64/220136464.db2.gz DPONUEWDIKXBCX-CYBMUJFWSA-N 1 2 346.481 3.333 20 30 EGEDLO COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(C#N)cc1F ZINC000111692335 220182067 /nfs/dbraw/zinc/18/20/67/220182067.db2.gz QFFSMKJKTLVXND-UHFFFAOYSA-N 1 2 342.370 3.075 20 30 EGEDLO COCC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(C#N)cc1F ZINC000111692335 220182069 /nfs/dbraw/zinc/18/20/69/220182069.db2.gz QFFSMKJKTLVXND-UHFFFAOYSA-N 1 2 342.370 3.075 20 30 EGEDLO Cc1noc(C)c1C[NH+]1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000264178890 246146422 /nfs/dbraw/zinc/14/64/22/246146422.db2.gz YKUWPBCFPQWHMN-UHFFFAOYSA-N 1 2 330.819 3.139 20 30 EGEDLO C[C@@H](c1ccco1)[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C1CC1 ZINC000119163019 221256583 /nfs/dbraw/zinc/25/65/83/221256583.db2.gz YGRHOAPMBAHFQA-AWEZNQCLSA-N 1 2 344.436 3.151 20 30 EGEDLO C[C@@H](c1ccco1)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C1CC1 ZINC000119163019 221256586 /nfs/dbraw/zinc/25/65/86/221256586.db2.gz YGRHOAPMBAHFQA-AWEZNQCLSA-N 1 2 344.436 3.151 20 30 EGEDLO COc1cccc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000183967690 533400154 /nfs/dbraw/zinc/40/01/54/533400154.db2.gz YCBCVMIZMISFMJ-INIZCTEOSA-N 1 2 349.434 3.086 20 30 EGEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000339489687 141122198 /nfs/dbraw/zinc/12/21/98/141122198.db2.gz DUFBBDREMMBGPP-UHFFFAOYSA-N 1 2 339.443 3.013 20 30 EGEDLO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000192666381 144177404 /nfs/dbraw/zinc/17/74/04/144177404.db2.gz RTWPKVDCLZSVGC-UHFFFAOYSA-N 1 2 347.378 3.348 20 30 EGEDLO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000192666381 144177406 /nfs/dbraw/zinc/17/74/06/144177406.db2.gz RTWPKVDCLZSVGC-UHFFFAOYSA-N 1 2 347.378 3.348 20 30 EGEDLO N#Cc1cccc(OCC[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)c1 ZINC000351097836 144254965 /nfs/dbraw/zinc/25/49/65/144254965.db2.gz JHHJDECJRODHDQ-UHFFFAOYSA-N 1 2 344.418 3.181 20 30 EGEDLO N#Cc1cccc(OCC[N@H+]2CCc3c(ncn3-c3ccccc3)C2)c1 ZINC000351097836 144254967 /nfs/dbraw/zinc/25/49/67/144254967.db2.gz JHHJDECJRODHDQ-UHFFFAOYSA-N 1 2 344.418 3.181 20 30 EGEDLO N#Cc1ccc([C@@H]([NH2+][C@@H]2CCSc3c(F)cccc32)C(N)=O)cc1 ZINC000115595926 152020709 /nfs/dbraw/zinc/02/07/09/152020709.db2.gz CDYJGXBFCXDHNY-HZPDHXFCSA-N 1 2 341.411 3.050 20 30 EGEDLO Cc1nc(N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)sc1C ZINC000192128846 153242514 /nfs/dbraw/zinc/24/25/14/153242514.db2.gz LVIBUBSFRJIXHA-UHFFFAOYSA-N 1 2 330.432 3.093 20 30 EGEDLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192163320 153245246 /nfs/dbraw/zinc/24/52/46/153245246.db2.gz PTYRDIUHEMKBFY-UHFFFAOYSA-N 1 2 329.341 3.156 20 30 EGEDLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192163320 153245250 /nfs/dbraw/zinc/24/52/50/153245250.db2.gz PTYRDIUHEMKBFY-UHFFFAOYSA-N 1 2 329.341 3.156 20 30 EGEDLO N#Cc1ccccc1C[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000337281521 154258005 /nfs/dbraw/zinc/25/80/05/154258005.db2.gz HVXWHTWFLSUGDN-FQEVSTJZSA-N 1 2 329.403 3.251 20 30 EGEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000337467007 154368390 /nfs/dbraw/zinc/36/83/90/154368390.db2.gz UHSOTNOFRQFEMA-HNNXBMFYSA-N 1 2 339.414 3.349 20 30 EGEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000337467007 154368394 /nfs/dbraw/zinc/36/83/94/154368394.db2.gz UHSOTNOFRQFEMA-HNNXBMFYSA-N 1 2 339.414 3.349 20 30 EGEDLO Cc1cc(F)cc2c1C[N@H+]([C@H](C)C(=O)Nc1ccccc1C#N)CC2 ZINC000337471785 154370974 /nfs/dbraw/zinc/37/09/74/154370974.db2.gz VYBHVISYNYVEBS-CQSZACIVSA-N 1 2 337.398 3.391 20 30 EGEDLO Cc1cc(F)cc2c1C[N@@H+]([C@H](C)C(=O)Nc1ccccc1C#N)CC2 ZINC000337471785 154370977 /nfs/dbraw/zinc/37/09/77/154370977.db2.gz VYBHVISYNYVEBS-CQSZACIVSA-N 1 2 337.398 3.391 20 30 EGEDLO COc1cc(N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)ccc1F ZINC000338633174 163298763 /nfs/dbraw/zinc/29/87/63/163298763.db2.gz OGXZZJVGQYVFAS-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO C[C@@H](c1nc(C2CC2)no1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344106638 164103868 /nfs/dbraw/zinc/10/38/68/164103868.db2.gz HHXNANFVGFQJFQ-ZDUSSCGKSA-N 1 2 326.400 3.028 20 30 EGEDLO C[C@@H](c1nc(C2CC2)no1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344106638 164103871 /nfs/dbraw/zinc/10/38/71/164103871.db2.gz HHXNANFVGFQJFQ-ZDUSSCGKSA-N 1 2 326.400 3.028 20 30 EGEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000347269776 164471101 /nfs/dbraw/zinc/47/11/01/164471101.db2.gz VHEHSOBRGLQXLB-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCc4cc(F)ccc4C3)o2)c1 ZINC000351937355 165156609 /nfs/dbraw/zinc/15/66/09/165156609.db2.gz SWIAMEDJTHXDSQ-UHFFFAOYSA-N 1 2 334.354 3.306 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCc4cc(F)ccc4C3)o2)c1 ZINC000351937355 165156614 /nfs/dbraw/zinc/15/66/14/165156614.db2.gz SWIAMEDJTHXDSQ-UHFFFAOYSA-N 1 2 334.354 3.306 20 30 EGEDLO N#Cc1cccc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c1F ZINC000352895480 165556985 /nfs/dbraw/zinc/55/69/85/165556985.db2.gz XCGXIVCTPVBYJX-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO COC(=O)C[N@H+](Cc1ccc(C#N)cc1OC(F)F)C1CCCC1 ZINC000353563761 165807675 /nfs/dbraw/zinc/80/76/75/165807675.db2.gz XWZSAYPMKVWLMS-UHFFFAOYSA-N 1 2 338.354 3.077 20 30 EGEDLO COC(=O)C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C1CCCC1 ZINC000353563761 165807676 /nfs/dbraw/zinc/80/76/76/165807676.db2.gz XWZSAYPMKVWLMS-UHFFFAOYSA-N 1 2 338.354 3.077 20 30 EGEDLO N#Cc1cnc2ccc(Cl)cc2c1NCc1cn2ccccc2[nH+]1 ZINC000359092734 167064880 /nfs/dbraw/zinc/06/48/80/167064880.db2.gz JAFUTAYZMWQBJR-UHFFFAOYSA-N 1 2 333.782 3.442 20 30 EGEDLO Cc1nc(N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)sc1C ZINC000157529543 224842878 /nfs/dbraw/zinc/84/28/78/224842878.db2.gz XCLNBOZKTCGYLJ-UHFFFAOYSA-N 1 2 330.432 3.093 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)CCCCOc2cccc(C#N)c2)c2[nH+]ccn21 ZINC000456360077 269895102 /nfs/dbraw/zinc/89/51/02/269895102.db2.gz DCFDHUVRMFKPQO-YOEHRIQHSA-N 1 2 338.411 3.126 20 30 EGEDLO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1ccc(C#N)cc1OC ZINC000444780488 270052327 /nfs/dbraw/zinc/05/23/27/270052327.db2.gz FKYZOCZZXSLXBS-IBGZPJMESA-N 1 2 330.428 3.265 20 30 EGEDLO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1Cc1ccc(C#N)cc1OC ZINC000444780488 270052328 /nfs/dbraw/zinc/05/23/28/270052328.db2.gz FKYZOCZZXSLXBS-IBGZPJMESA-N 1 2 330.428 3.265 20 30 EGEDLO CCC[C@@H]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000448578041 270052649 /nfs/dbraw/zinc/05/26/49/270052649.db2.gz MLYGYLYNRZAAEW-WOJBJXKFSA-N 1 2 339.483 3.419 20 30 EGEDLO Cc1sc(NC(=O)C[NH+]2CCC(OC(C)C)CC2)c(C#N)c1C ZINC000533338767 270060903 /nfs/dbraw/zinc/06/09/03/270060903.db2.gz MZWAUSQPQCNLPL-UHFFFAOYSA-N 1 2 335.473 3.065 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3ccncc3)o2)c1 ZINC000534316425 270061121 /nfs/dbraw/zinc/06/11/21/270061121.db2.gz YOKZDIXWDBTUGD-QGZVFWFLSA-N 1 2 331.379 3.340 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3ccncc3)o2)c1 ZINC000534316425 270061122 /nfs/dbraw/zinc/06/11/22/270061122.db2.gz YOKZDIXWDBTUGD-QGZVFWFLSA-N 1 2 331.379 3.340 20 30 EGEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cccc(C(=O)OC)c1C#N ZINC000533774966 270061374 /nfs/dbraw/zinc/06/13/74/270061374.db2.gz GHENLSBLQWZBMP-UHFFFAOYSA-N 1 2 345.402 3.405 20 30 EGEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(C(=O)OC)c1C#N ZINC000533774966 270061376 /nfs/dbraw/zinc/06/13/76/270061376.db2.gz GHENLSBLQWZBMP-UHFFFAOYSA-N 1 2 345.402 3.405 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000292543356 267141934 /nfs/dbraw/zinc/14/19/34/267141934.db2.gz XXWRKWSGVLBOQL-HUUCEWRRSA-N 1 2 335.407 3.168 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000292543356 267141936 /nfs/dbraw/zinc/14/19/36/267141936.db2.gz XXWRKWSGVLBOQL-HUUCEWRRSA-N 1 2 335.407 3.168 20 30 EGEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425588885 267256769 /nfs/dbraw/zinc/25/67/69/267256769.db2.gz PAACCUDDPDSREH-KGLIPLIRSA-N 1 2 325.416 3.238 20 30 EGEDLO CN(Cc1[nH+]ccn1C)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000455776693 267325472 /nfs/dbraw/zinc/32/54/72/267325472.db2.gz SEMWHFKRAWRBDG-UHFFFAOYSA-N 1 2 341.415 3.133 20 30 EGEDLO Cc1ccc(CNc2cc(C)[nH+]cc2C#N)c(OC[C@H]2CCCO2)c1 ZINC000425237244 268036516 /nfs/dbraw/zinc/03/65/16/268036516.db2.gz LHFSQGGZHATVQQ-GOSISDBHSA-N 1 2 337.423 3.162 20 30 EGEDLO Cc1cccc2c1C[N@@H+]([C@H]1CCN(c3sccc3C#N)C1=O)CC2 ZINC000429560539 268058407 /nfs/dbraw/zinc/05/84/07/268058407.db2.gz NRUNAYBKJVHCML-KRWDZBQOSA-N 1 2 337.448 3.092 20 30 EGEDLO Cc1cccc2c1C[N@H+]([C@H]1CCN(c3sccc3C#N)C1=O)CC2 ZINC000429560539 268058410 /nfs/dbraw/zinc/05/84/10/268058410.db2.gz NRUNAYBKJVHCML-KRWDZBQOSA-N 1 2 337.448 3.092 20 30 EGEDLO Cc1nc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c(C)s1 ZINC000443639526 268077041 /nfs/dbraw/zinc/07/70/41/268077041.db2.gz ORYZRBMDMSHBDV-UHFFFAOYSA-N 1 2 330.432 3.093 20 30 EGEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc(C4CC4)no3)CC2)c(F)c1 ZINC000285556553 268166567 /nfs/dbraw/zinc/16/65/67/268166567.db2.gz RZXMUIUDJRHTPP-UHFFFAOYSA-N 1 2 342.374 3.001 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)c1 ZINC000278906921 275286402 /nfs/dbraw/zinc/28/64/02/275286402.db2.gz SHYFTCRJDONZJH-OAHLLOKOSA-N 1 2 329.350 3.275 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)c1 ZINC000278906921 275286403 /nfs/dbraw/zinc/28/64/03/275286403.db2.gz SHYFTCRJDONZJH-OAHLLOKOSA-N 1 2 329.350 3.275 20 30 EGEDLO N#Cc1ccc(F)cc1CN(CC[NH+]1CCOCC1)c1ccccc1 ZINC000160555537 307891546 /nfs/dbraw/zinc/89/15/46/307891546.db2.gz ZLAZRNUIFVOCJB-UHFFFAOYSA-N 1 2 339.414 3.036 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000084138036 453972613 /nfs/dbraw/zinc/97/26/13/453972613.db2.gz HWDCZMMZDGTAGJ-UHFFFAOYSA-N 1 2 331.363 3.223 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000084138036 453972617 /nfs/dbraw/zinc/97/26/17/453972617.db2.gz HWDCZMMZDGTAGJ-UHFFFAOYSA-N 1 2 331.363 3.223 20 30 EGEDLO Cc1cc(C(=O)C[NH+]2CCC(C#N)CC2)c(C)n1CC(F)(F)F ZINC000057880279 454154386 /nfs/dbraw/zinc/15/43/86/454154386.db2.gz QWGKXERSTDURPR-UHFFFAOYSA-N 1 2 327.350 3.086 20 30 EGEDLO Cc1cccn2cc(Cc3noc(COc4ccccc4C#N)n3)[nH+]c12 ZINC000547100041 314874146 /nfs/dbraw/zinc/87/41/46/314874146.db2.gz GFEKEWBGTJRQNZ-UHFFFAOYSA-N 1 2 345.362 3.067 20 30 EGEDLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N(CC)C[C@@H](C)C#N)s1 ZINC000122204062 454515011 /nfs/dbraw/zinc/51/50/11/454515011.db2.gz SVNOITYXSXBTMI-JSGCOSHPSA-N 1 2 336.505 3.015 20 30 EGEDLO N#Cc1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1Cl ZINC000553297257 315256128 /nfs/dbraw/zinc/25/61/28/315256128.db2.gz MTAIMBXNQXFZFK-UHFFFAOYSA-N 1 2 337.770 3.104 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](c3ccncc3)C2)c(C#N)c1C ZINC000564629227 316177183 /nfs/dbraw/zinc/17/71/83/316177183.db2.gz WIHFLUQLKMJKQM-HNNXBMFYSA-N 1 2 340.452 3.060 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](c3ccncc3)C2)c(C#N)c1C ZINC000564629227 316177188 /nfs/dbraw/zinc/17/71/88/316177188.db2.gz WIHFLUQLKMJKQM-HNNXBMFYSA-N 1 2 340.452 3.060 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000570665853 317089820 /nfs/dbraw/zinc/08/98/20/317089820.db2.gz FEWYVSVSAOYSNK-OALUTQOASA-N 1 2 329.407 3.433 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N[C@H]1CCCc2cc(C#N)ccc21)C1CC1 ZINC000572616669 317365744 /nfs/dbraw/zinc/36/57/44/317365744.db2.gz XHVLWJBYXMZZPU-ROUUACIJSA-N 1 2 349.438 3.120 20 30 EGEDLO COc1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1C#N ZINC000179233067 323375841 /nfs/dbraw/zinc/37/58/41/323375841.db2.gz UTHFWWBMQXNSMO-UHFFFAOYSA-N 1 2 339.414 3.024 20 30 EGEDLO COc1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1C#N ZINC000179233067 323375847 /nfs/dbraw/zinc/37/58/47/323375847.db2.gz UTHFWWBMQXNSMO-UHFFFAOYSA-N 1 2 339.414 3.024 20 30 EGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NC(=O)NC(C)C ZINC000355700230 457404245 /nfs/dbraw/zinc/40/42/45/457404245.db2.gz AVPPUUFENNAVPJ-LLVKDONJSA-N 1 2 343.880 3.012 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NC(=O)NC(C)C ZINC000355700230 457404255 /nfs/dbraw/zinc/40/42/55/457404255.db2.gz AVPPUUFENNAVPJ-LLVKDONJSA-N 1 2 343.880 3.012 20 30 EGEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000556057004 458925370 /nfs/dbraw/zinc/92/53/70/458925370.db2.gz WHNKGERUEITPEQ-JTQLQIEISA-N 1 2 326.278 3.147 20 30 EGEDLO Cc1noc(C)c1C[NH+]1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000264686942 455262136 /nfs/dbraw/zinc/26/21/36/455262136.db2.gz YHIWCSQSLGJMDS-UHFFFAOYSA-N 1 2 330.819 3.139 20 30 EGEDLO C=CCN(CC1CCCCC1)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000264752115 455276019 /nfs/dbraw/zinc/27/60/19/455276019.db2.gz GTJABXHDOURDJP-UHFFFAOYSA-N 1 2 330.476 3.497 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161502 460556236 /nfs/dbraw/zinc/55/62/36/460556236.db2.gz CDONZGJTASNJMQ-QAPCUYQASA-N 1 2 331.485 3.277 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161502 460556243 /nfs/dbraw/zinc/55/62/43/460556243.db2.gz CDONZGJTASNJMQ-QAPCUYQASA-N 1 2 331.485 3.277 20 30 EGEDLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612167296 460558839 /nfs/dbraw/zinc/55/88/39/460558839.db2.gz KUHYQKKUQJUBMW-FQEVSTJZSA-N 1 2 327.472 3.359 20 30 EGEDLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612167296 460558843 /nfs/dbraw/zinc/55/88/43/460558843.db2.gz KUHYQKKUQJUBMW-FQEVSTJZSA-N 1 2 327.472 3.359 20 30 EGEDLO CCOc1ccc(C[N@H+](C)CC(=O)Nc2sccc2C#N)cc1 ZINC000007687173 453104517 /nfs/dbraw/zinc/10/45/17/453104517.db2.gz QHOULUSHHHRNQI-UHFFFAOYSA-N 1 2 329.425 3.089 20 30 EGEDLO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2sccc2C#N)cc1 ZINC000007687173 453104531 /nfs/dbraw/zinc/10/45/31/453104531.db2.gz QHOULUSHHHRNQI-UHFFFAOYSA-N 1 2 329.425 3.089 20 30 EGEDLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000008092870 453161670 /nfs/dbraw/zinc/16/16/70/453161670.db2.gz VBQZZXYBYJZCCT-UHFFFAOYSA-N 1 2 343.814 3.291 20 30 EGEDLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000008092870 453161678 /nfs/dbraw/zinc/16/16/78/453161678.db2.gz VBQZZXYBYJZCCT-UHFFFAOYSA-N 1 2 343.814 3.291 20 30 EGEDLO COc1ccccc1N1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000012549223 453372299 /nfs/dbraw/zinc/37/22/99/453372299.db2.gz YLDWRQRBZZZTPM-UHFFFAOYSA-N 1 2 346.434 3.142 20 30 EGEDLO N#Cc1ccc(CN2CCC[N@H+](Cc3nc4ccccc4o3)CC2)cc1 ZINC000021405439 453675977 /nfs/dbraw/zinc/67/59/77/453675977.db2.gz JSMUUFRPKJLQDI-UHFFFAOYSA-N 1 2 346.434 3.407 20 30 EGEDLO N#Cc1ccc(CN2CCC[N@@H+](Cc3nc4ccccc4o3)CC2)cc1 ZINC000021405439 453675980 /nfs/dbraw/zinc/67/59/80/453675980.db2.gz JSMUUFRPKJLQDI-UHFFFAOYSA-N 1 2 346.434 3.407 20 30 EGEDLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000026190218 453794297 /nfs/dbraw/zinc/79/42/97/453794297.db2.gz PJUNOYUQLXBRLL-CYBMUJFWSA-N 1 2 341.411 3.236 20 30 EGEDLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000026190218 453794300 /nfs/dbraw/zinc/79/43/00/453794300.db2.gz PJUNOYUQLXBRLL-CYBMUJFWSA-N 1 2 341.411 3.236 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC[C@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000028656450 453824222 /nfs/dbraw/zinc/82/42/22/453824222.db2.gz KTQMVXUGTVKERL-BBRMVZONSA-N 1 2 327.819 3.196 20 30 EGEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccccc1-c1ccccc1C#N ZINC000052749875 453843300 /nfs/dbraw/zinc/84/33/00/453843300.db2.gz UAWULQYETWFRBJ-OAHLLOKOSA-N 1 2 330.391 3.240 20 30 EGEDLO CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(Cl)s1 ZINC000032512447 453877043 /nfs/dbraw/zinc/87/70/43/453877043.db2.gz MBUDCJVNSPPSTM-HNNXBMFYSA-N 1 2 325.865 3.032 20 30 EGEDLO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(Cl)s1 ZINC000032512447 453877047 /nfs/dbraw/zinc/87/70/47/453877047.db2.gz MBUDCJVNSPPSTM-HNNXBMFYSA-N 1 2 325.865 3.032 20 30 EGEDLO C[C@H](c1ccc(F)cc1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512389 453879755 /nfs/dbraw/zinc/87/97/55/453879755.db2.gz GIJZHWVJRZPJDY-CQSZACIVSA-N 1 2 346.427 3.164 20 30 EGEDLO C[C@H](c1ccc(F)cc1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512389 453879758 /nfs/dbraw/zinc/87/97/58/453879758.db2.gz GIJZHWVJRZPJDY-CQSZACIVSA-N 1 2 346.427 3.164 20 30 EGEDLO N#CCc1cccc(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)c1 ZINC000053633643 453891172 /nfs/dbraw/zinc/89/11/72/453891172.db2.gz UIQGKNGLMYWXRQ-UHFFFAOYSA-N 1 2 348.450 3.458 20 30 EGEDLO C=CCN(CC=C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000054008459 453905043 /nfs/dbraw/zinc/90/50/43/453905043.db2.gz WKJHISZPWFGBIR-INIZCTEOSA-N 1 2 328.391 3.032 20 30 EGEDLO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc(C#N)cc1 ZINC000075596304 453909091 /nfs/dbraw/zinc/90/90/91/453909091.db2.gz RRYAMQIQOPPBHE-UHFFFAOYSA-N 1 2 329.363 3.112 20 30 EGEDLO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc(C#N)cc1 ZINC000075596304 453909097 /nfs/dbraw/zinc/90/90/97/453909097.db2.gz RRYAMQIQOPPBHE-UHFFFAOYSA-N 1 2 329.363 3.112 20 30 EGEDLO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1cccc(C#N)c1 ZINC000075596151 453909415 /nfs/dbraw/zinc/90/94/15/453909415.db2.gz OHTBNUZKGDNBQE-UHFFFAOYSA-N 1 2 329.363 3.112 20 30 EGEDLO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1cccc(C#N)c1 ZINC000075596151 453909418 /nfs/dbraw/zinc/90/94/18/453909418.db2.gz OHTBNUZKGDNBQE-UHFFFAOYSA-N 1 2 329.363 3.112 20 30 EGEDLO N#Cc1ccc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c([N+](=O)[O-])c1 ZINC000067904895 453979284 /nfs/dbraw/zinc/97/92/84/453979284.db2.gz KHJCSBNYMRDQPG-UHFFFAOYSA-N 1 2 337.314 3.403 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000068475610 454029500 /nfs/dbraw/zinc/02/95/00/454029500.db2.gz YMNMNGROGJNXNB-CABCVRRESA-N 1 2 336.501 3.151 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000068475610 454029504 /nfs/dbraw/zinc/02/95/04/454029504.db2.gz YMNMNGROGJNXNB-CABCVRRESA-N 1 2 336.501 3.151 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCc1ccccc1F)Cc1ccccc1F ZINC000056312404 454050133 /nfs/dbraw/zinc/05/01/33/454050133.db2.gz ATRLYTNDLDRNLN-UHFFFAOYSA-N 1 2 330.378 3.269 20 30 EGEDLO C=CC[N@H+](CC(=O)NCc1ccccc1F)Cc1ccccc1F ZINC000056312404 454050138 /nfs/dbraw/zinc/05/01/38/454050138.db2.gz ATRLYTNDLDRNLN-UHFFFAOYSA-N 1 2 330.378 3.269 20 30 EGEDLO N#Cc1ccc2[nH+]cc(CNc3cccc(C(=O)N4CCCC4)c3)n2c1 ZINC000160104020 455428682 /nfs/dbraw/zinc/42/86/82/455428682.db2.gz PLXOVTMLNILSGT-UHFFFAOYSA-N 1 2 345.406 3.054 20 30 EGEDLO N#Cc1ccc(NC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000045878362 454191993 /nfs/dbraw/zinc/19/19/93/454191993.db2.gz LUBZBQAIGDPVCE-UHFFFAOYSA-N 1 2 335.411 3.265 20 30 EGEDLO CCc1nc([C@@H](C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)cs1 ZINC000184683937 455427193 /nfs/dbraw/zinc/42/71/93/455427193.db2.gz VJTYSWFBXWYKNB-CYBMUJFWSA-N 1 2 334.489 3.041 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2cc(Cl)cn2C)c(C#N)c1C ZINC000120026684 454249642 /nfs/dbraw/zinc/24/96/42/454249642.db2.gz XALZRMWAGVCZQP-NSHDSACASA-N 1 2 348.834 3.219 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(Cl)cn2C)c(C#N)c1C ZINC000120026684 454249649 /nfs/dbraw/zinc/24/96/49/454249649.db2.gz XALZRMWAGVCZQP-NSHDSACASA-N 1 2 348.834 3.219 20 30 EGEDLO N#C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1cccc(Cl)c1Cl ZINC000132274276 454325740 /nfs/dbraw/zinc/32/57/40/454325740.db2.gz XRHFBIIZBJKHCD-IINYFYTJSA-N 1 2 349.221 3.133 20 30 EGEDLO CC(C)CC[N@H+](CCC#N)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000072692255 454327808 /nfs/dbraw/zinc/32/78/08/454327808.db2.gz QQAHWCLGQSTJQK-UHFFFAOYSA-N 1 2 332.835 3.110 20 30 EGEDLO CC(C)CC[N@@H+](CCC#N)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000072692255 454327809 /nfs/dbraw/zinc/32/78/09/454327809.db2.gz QQAHWCLGQSTJQK-UHFFFAOYSA-N 1 2 332.835 3.110 20 30 EGEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000096966298 454384120 /nfs/dbraw/zinc/38/41/20/454384120.db2.gz IKDGKVKHFCQGQO-DZGCQCFKSA-N 1 2 342.468 3.194 20 30 EGEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000096966298 454384126 /nfs/dbraw/zinc/38/41/26/454384126.db2.gz IKDGKVKHFCQGQO-DZGCQCFKSA-N 1 2 342.468 3.194 20 30 EGEDLO C=C(Br)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000121048021 454384239 /nfs/dbraw/zinc/38/42/39/454384239.db2.gz LRWAXAGLWROMHD-CQSZACIVSA-N 1 2 326.234 3.282 20 30 EGEDLO C=C(Br)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000121048021 454384241 /nfs/dbraw/zinc/38/42/41/454384241.db2.gz LRWAXAGLWROMHD-CQSZACIVSA-N 1 2 326.234 3.282 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCCc1ccccc1C)Cc1cccc(C#N)c1 ZINC000063300541 454403377 /nfs/dbraw/zinc/40/33/77/454403377.db2.gz BCMREPUUXWDVTK-UHFFFAOYSA-N 1 2 347.462 3.214 20 30 EGEDLO C=CC[N@H+](CC(=O)NCCc1ccccc1C)Cc1cccc(C#N)c1 ZINC000063300541 454403382 /nfs/dbraw/zinc/40/33/82/454403382.db2.gz BCMREPUUXWDVTK-UHFFFAOYSA-N 1 2 347.462 3.214 20 30 EGEDLO C=CC[N@H+](CC(=O)N1CCc2ccccc2C1)Cc1cccc(C#N)c1 ZINC000063300705 454403453 /nfs/dbraw/zinc/40/34/53/454403453.db2.gz FBUOWNVQLLZRRY-UHFFFAOYSA-N 1 2 345.446 3.131 20 30 EGEDLO C=CC[N@@H+](CC(=O)N1CCc2ccccc2C1)Cc1cccc(C#N)c1 ZINC000063300705 454403460 /nfs/dbraw/zinc/40/34/60/454403460.db2.gz FBUOWNVQLLZRRY-UHFFFAOYSA-N 1 2 345.446 3.131 20 30 EGEDLO Cc1ccn2cc(CNC(=O)c3cccc(SCC#N)c3)[nH+]c2c1 ZINC000079536030 454432998 /nfs/dbraw/zinc/43/29/98/454432998.db2.gz TZSNIFMVHWUXNI-UHFFFAOYSA-N 1 2 336.420 3.188 20 30 EGEDLO N#Cc1ccc(N2CCN(c3cccc[nH+]3)CC2)c(Br)c1 ZINC000121656179 454462393 /nfs/dbraw/zinc/46/23/93/454462393.db2.gz URXKGKWTLWNGIU-UHFFFAOYSA-N 1 2 343.228 3.042 20 30 EGEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC=C(c2ccccc2Cl)CC1)C1CC1 ZINC000091843734 454480946 /nfs/dbraw/zinc/48/09/46/454480946.db2.gz QYBMPXDDGGTVEE-LJQANCHMSA-N 1 2 343.858 3.238 20 30 EGEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC=C(c2ccccc2Cl)CC1)C1CC1 ZINC000091843734 454480952 /nfs/dbraw/zinc/48/09/52/454480952.db2.gz QYBMPXDDGGTVEE-LJQANCHMSA-N 1 2 343.858 3.238 20 30 EGEDLO C=C(C)COc1cc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)ccc1OC ZINC000091928831 454491596 /nfs/dbraw/zinc/49/15/96/454491596.db2.gz HDUZWESDJANPFR-AZUAARDMSA-N 1 2 347.455 3.030 20 30 EGEDLO C=C(C)COc1cc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)ccc1OC ZINC000091928831 454491602 /nfs/dbraw/zinc/49/16/02/454491602.db2.gz HDUZWESDJANPFR-AZUAARDMSA-N 1 2 347.455 3.030 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)o1 ZINC000073872341 454494784 /nfs/dbraw/zinc/49/47/84/454494784.db2.gz PRXLBIZUSOPIGW-LBPRGKRZSA-N 1 2 341.249 3.063 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)o1 ZINC000073872341 454494787 /nfs/dbraw/zinc/49/47/87/454494787.db2.gz PRXLBIZUSOPIGW-LBPRGKRZSA-N 1 2 341.249 3.063 20 30 EGEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000064795553 454505569 /nfs/dbraw/zinc/50/55/69/454505569.db2.gz ISQHXJMHMFTMSP-PMPSAXMXSA-N 1 2 327.472 3.223 20 30 EGEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000064795553 454505573 /nfs/dbraw/zinc/50/55/73/454505573.db2.gz ISQHXJMHMFTMSP-PMPSAXMXSA-N 1 2 327.472 3.223 20 30 EGEDLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N(CC)C[C@@H](C)C#N)s1 ZINC000122204062 454515007 /nfs/dbraw/zinc/51/50/07/454515007.db2.gz SVNOITYXSXBTMI-JSGCOSHPSA-N 1 2 336.505 3.015 20 30 EGEDLO C=CC[N@@H+](Cc1cc2cc(C)c(C)cc2o1)[C@H]1CCS(=O)(=O)C1 ZINC000092361425 454556534 /nfs/dbraw/zinc/55/65/34/454556534.db2.gz BIOKDGFPFDXPOB-INIZCTEOSA-N 1 2 333.453 3.225 20 30 EGEDLO C=CC[N@H+](Cc1cc2cc(C)c(C)cc2o1)[C@H]1CCS(=O)(=O)C1 ZINC000092361425 454556539 /nfs/dbraw/zinc/55/65/39/454556539.db2.gz BIOKDGFPFDXPOB-INIZCTEOSA-N 1 2 333.453 3.225 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)CCC(F)(F)F ZINC000104678174 454594868 /nfs/dbraw/zinc/59/48/68/454594868.db2.gz WEEWYBRQMPPOHS-SECBINFHSA-N 1 2 333.741 3.423 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)CCC(F)(F)F ZINC000104678174 454594872 /nfs/dbraw/zinc/59/48/72/454594872.db2.gz WEEWYBRQMPPOHS-SECBINFHSA-N 1 2 333.741 3.423 20 30 EGEDLO CCCCc1noc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000104713197 454598296 /nfs/dbraw/zinc/59/82/96/454598296.db2.gz MBWZKVSTYAMSIJ-UHFFFAOYSA-N 1 2 340.427 3.327 20 30 EGEDLO Cc1cccn2cc(COc3ccc(C(=O)NC(C)(C)C#N)cc3)[nH+]c12 ZINC000124399232 454728447 /nfs/dbraw/zinc/72/84/47/454728447.db2.gz LZKXUDUOQFPMCF-UHFFFAOYSA-N 1 2 348.406 3.254 20 30 EGEDLO CCN(CCC#N)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000138366575 454791705 /nfs/dbraw/zinc/79/17/05/454791705.db2.gz HNMBJMLBCNDCKD-CYBMUJFWSA-N 1 2 335.477 3.142 20 30 EGEDLO CCN(CCC#N)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000138366575 454791707 /nfs/dbraw/zinc/79/17/07/454791707.db2.gz HNMBJMLBCNDCKD-CYBMUJFWSA-N 1 2 335.477 3.142 20 30 EGEDLO CCCc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000140202228 454818151 /nfs/dbraw/zinc/81/81/51/454818151.db2.gz LKILYHBEBKTZMG-UHFFFAOYSA-N 1 2 347.462 3.469 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3ccncc3)o2)cc1 ZINC000125570490 454832540 /nfs/dbraw/zinc/83/25/40/454832540.db2.gz VRPALWLNCWMCBT-KRWDZBQOSA-N 1 2 331.379 3.340 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3c3ccncc3)o2)cc1 ZINC000125570490 454832542 /nfs/dbraw/zinc/83/25/42/454832542.db2.gz VRPALWLNCWMCBT-KRWDZBQOSA-N 1 2 331.379 3.340 20 30 EGEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NCC1(c2ccccc2)CC1 ZINC000109812528 454837918 /nfs/dbraw/zinc/83/79/18/454837918.db2.gz BZFWNADBJHCDFN-UHFFFAOYSA-N 1 2 327.472 3.096 20 30 EGEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NCC1(c2ccccc2)CC1 ZINC000109812528 454837922 /nfs/dbraw/zinc/83/79/22/454837922.db2.gz BZFWNADBJHCDFN-UHFFFAOYSA-N 1 2 327.472 3.096 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3cc(F)ccc3F)CC2)c(F)c1 ZINC000177634194 454886732 /nfs/dbraw/zinc/88/67/32/454886732.db2.gz ZKQHOTWOTMYXIC-UHFFFAOYSA-N 1 2 331.341 3.298 20 30 EGEDLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000266957980 455483263 /nfs/dbraw/zinc/48/32/63/455483263.db2.gz KSHHMLIHVKNVBU-CVEARBPZSA-N 1 2 339.439 3.237 20 30 EGEDLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000266957980 455483268 /nfs/dbraw/zinc/48/32/68/455483268.db2.gz KSHHMLIHVKNVBU-CVEARBPZSA-N 1 2 339.439 3.237 20 30 EGEDLO Cc1cnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)s1 ZINC000184995170 455483893 /nfs/dbraw/zinc/48/38/93/455483893.db2.gz QIAHBQDTVYCVPX-MNOVXSKESA-N 1 2 332.429 3.211 20 30 EGEDLO CC[C@@H](C#N)NC(=O)c1ccccc1OCc1cn2cc(C)ccc2[nH+]1 ZINC000113448535 454926273 /nfs/dbraw/zinc/92/62/73/454926273.db2.gz IWUDHQSYQYGCJR-HNNXBMFYSA-N 1 2 348.406 3.254 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCO[C@H](C)C1 ZINC000170986175 455010641 /nfs/dbraw/zinc/01/06/41/455010641.db2.gz AFSNAKAPXHHREJ-CABCVRRESA-N 1 2 347.484 3.130 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCO[C@H](C)C1 ZINC000170986175 455010644 /nfs/dbraw/zinc/01/06/44/455010644.db2.gz AFSNAKAPXHHREJ-CABCVRRESA-N 1 2 347.484 3.130 20 30 EGEDLO N#Cc1cccc(/C=C/C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000116644013 455064174 /nfs/dbraw/zinc/06/41/74/455064174.db2.gz OOACUJATQLQDNK-RMKNXTFCSA-N 1 2 347.418 3.042 20 30 EGEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCCCCC#N)c2C1 ZINC000171501549 455074357 /nfs/dbraw/zinc/07/43/57/455074357.db2.gz HXJLQMUQFONDFH-UHFFFAOYSA-N 1 2 336.439 3.036 20 30 EGEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCCCCC#N)c2C1 ZINC000171501549 455074361 /nfs/dbraw/zinc/07/43/61/455074361.db2.gz HXJLQMUQFONDFH-UHFFFAOYSA-N 1 2 336.439 3.036 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1nc2ccccc2o1 ZINC000156247418 455097153 /nfs/dbraw/zinc/09/71/53/455097153.db2.gz WKFOXBZYNQXLSJ-CYBMUJFWSA-N 1 2 334.379 3.158 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1nc2ccccc2o1 ZINC000156247418 455097155 /nfs/dbraw/zinc/09/71/55/455097155.db2.gz WKFOXBZYNQXLSJ-CYBMUJFWSA-N 1 2 334.379 3.158 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000152396736 455112562 /nfs/dbraw/zinc/11/25/62/455112562.db2.gz UQWPXVOHUXKGOG-KGLIPLIRSA-N 1 2 349.525 3.457 20 30 EGEDLO CCOc1ccc(C#N)cc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000172510184 455158993 /nfs/dbraw/zinc/15/89/93/455158993.db2.gz MGUMFNFIDFQZSG-OAHLLOKOSA-N 1 2 349.434 3.342 20 30 EGEDLO CCOc1ccc(C#N)cc1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000172510184 455158995 /nfs/dbraw/zinc/15/89/95/455158995.db2.gz MGUMFNFIDFQZSG-OAHLLOKOSA-N 1 2 349.434 3.342 20 30 EGEDLO C=CCCC[C@H](C)NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000180432856 455169039 /nfs/dbraw/zinc/16/90/39/455169039.db2.gz KBERQKCVGTYJTJ-HKUYNNGSSA-N 1 2 345.487 3.104 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000190794480 455383678 /nfs/dbraw/zinc/38/36/78/455383678.db2.gz AJIFJZXLGAWBNC-ICSRJNTNSA-N 1 2 330.472 3.087 20 30 EGEDLO C#CC[N@H+](CC)Cc1nc(-c2ccc(Br)s2)no1 ZINC000266951791 455482252 /nfs/dbraw/zinc/48/22/52/455482252.db2.gz URAYJIRPMIEFRS-UHFFFAOYSA-N 1 2 326.219 3.016 20 30 EGEDLO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C[C@H]1CCCCO1 ZINC000266775825 455451469 /nfs/dbraw/zinc/45/14/69/455451469.db2.gz ZGYNVVKBNOMRDB-MRXNPFEDSA-N 1 2 339.439 3.239 20 30 EGEDLO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C[C@H]1CCCCO1 ZINC000266775825 455451474 /nfs/dbraw/zinc/45/14/74/455451474.db2.gz ZGYNVVKBNOMRDB-MRXNPFEDSA-N 1 2 339.439 3.239 20 30 EGEDLO C=CC1CCN(C(=O)NCc2[nH+]ccn2CCc2ccccc2)CC1 ZINC000175507609 455455424 /nfs/dbraw/zinc/45/54/24/455455424.db2.gz IXLFFKKXTVHAJX-UHFFFAOYSA-N 1 2 338.455 3.233 20 30 EGEDLO C#CC[N@@H+](CC)Cc1nc(-c2ccc(Br)s2)no1 ZINC000266951791 455482247 /nfs/dbraw/zinc/48/22/47/455482247.db2.gz URAYJIRPMIEFRS-UHFFFAOYSA-N 1 2 326.219 3.016 20 30 EGEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000182668625 455564796 /nfs/dbraw/zinc/56/47/96/455564796.db2.gz YGYGPRPYCFICSB-HXUWFJFHSA-N 1 2 333.435 3.142 20 30 EGEDLO N#CCSCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277668395 455628971 /nfs/dbraw/zinc/62/89/71/455628971.db2.gz KIBHLNUTYNJZQT-UHFFFAOYSA-N 1 2 326.425 3.082 20 30 EGEDLO Cc1nc(CO[NH+]=C(N)[C@H]2CCCO2)oc1-c1ccc(Cl)cc1 ZINC000284560289 455706282 /nfs/dbraw/zinc/70/62/82/455706282.db2.gz WHNOWEJRUJGQBF-CYBMUJFWSA-N 1 2 335.791 3.271 20 30 EGEDLO C=CCN(CCC#N)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000292848123 455763962 /nfs/dbraw/zinc/76/39/62/455763962.db2.gz FUFMGMOGEXHQQV-MRXNPFEDSA-N 1 2 342.443 3.013 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000249722992 455769247 /nfs/dbraw/zinc/76/92/47/455769247.db2.gz NWLRSAPBJRNEGL-RKVPGOIHSA-N 1 2 343.471 3.376 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000249722992 455769251 /nfs/dbraw/zinc/76/92/51/455769251.db2.gz NWLRSAPBJRNEGL-RKVPGOIHSA-N 1 2 343.471 3.376 20 30 EGEDLO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(F)c(O)c(F)c1)C(C)C ZINC000186809944 455839315 /nfs/dbraw/zinc/83/93/15/455839315.db2.gz MIPYMUOIOBYWHW-INIZCTEOSA-N 1 2 338.398 3.099 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2nc(-c3ccc(C)cc3)cs2)C1=O ZINC000285448306 455847491 /nfs/dbraw/zinc/84/74/91/455847491.db2.gz XWHDTGKJWUUHPL-QGZVFWFLSA-N 1 2 341.480 3.337 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2nc(-c3ccc(C)cc3)cs2)C1=O ZINC000285448306 455847495 /nfs/dbraw/zinc/84/74/95/455847495.db2.gz XWHDTGKJWUUHPL-QGZVFWFLSA-N 1 2 341.480 3.337 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000295540342 455852380 /nfs/dbraw/zinc/85/23/80/455852380.db2.gz COAQXMKTIKKHNB-GOSISDBHSA-N 1 2 347.846 3.371 20 30 EGEDLO C[C@@H]([NH2+]CCC(C#N)(c1ccccc1)c1ccccc1)c1ncn(C)n1 ZINC000278948710 455854345 /nfs/dbraw/zinc/85/43/45/455854345.db2.gz YRNOORZSCJVDKK-QGZVFWFLSA-N 1 2 345.450 3.366 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2c[nH]nc2-c2cccc(C)c2)n1 ZINC000279449893 455865801 /nfs/dbraw/zinc/86/58/01/455865801.db2.gz SOSHXQJEQWVCIY-UHFFFAOYSA-N 1 2 333.439 3.237 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2c[nH]nc2-c2cccc(C)c2)n1 ZINC000279449893 455865805 /nfs/dbraw/zinc/86/58/05/455865805.db2.gz SOSHXQJEQWVCIY-UHFFFAOYSA-N 1 2 333.439 3.237 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)cc1Cl ZINC000279736160 455872080 /nfs/dbraw/zinc/87/20/80/455872080.db2.gz WRDNYUXZCDXTES-KSSFIOAISA-N 1 2 337.847 3.285 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@]3(CCO[C@H]3C)C2)cc1Cl ZINC000279736160 455872089 /nfs/dbraw/zinc/87/20/89/455872089.db2.gz WRDNYUXZCDXTES-KSSFIOAISA-N 1 2 337.847 3.285 20 30 EGEDLO CC(=O)c1ccccc1NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194966269 455907391 /nfs/dbraw/zinc/90/73/91/455907391.db2.gz WPIZWNRXJMTUBY-UHFFFAOYSA-N 1 2 347.418 3.364 20 30 EGEDLO CC(=O)c1ccccc1NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194966269 455907393 /nfs/dbraw/zinc/90/73/93/455907393.db2.gz WPIZWNRXJMTUBY-UHFFFAOYSA-N 1 2 347.418 3.364 20 30 EGEDLO C=CCC[C@@H](C(=O)N1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000187594800 455929282 /nfs/dbraw/zinc/92/92/82/455929282.db2.gz KCDPSGNJTVXNED-OAQYLSRUSA-N 1 2 349.478 3.476 20 30 EGEDLO CC(C)[C@@H](NC(=O)C[NH+]1CCC(C)(C#N)CC1)c1ccc(F)cc1 ZINC000272608329 456012808 /nfs/dbraw/zinc/01/28/08/456012808.db2.gz RWTMIXDHGIBAEZ-GOSISDBHSA-N 1 2 331.435 3.265 20 30 EGEDLO CCOc1cc(C[N@H+](C)C[C@H](C)C#N)cc(Br)c1OC ZINC000271113688 456130640 /nfs/dbraw/zinc/13/06/40/456130640.db2.gz DHTOBEADYZKTRL-LLVKDONJSA-N 1 2 341.249 3.448 20 30 EGEDLO CCOc1cc(C[N@@H+](C)C[C@H](C)C#N)cc(Br)c1OC ZINC000271113688 456130647 /nfs/dbraw/zinc/13/06/47/456130647.db2.gz DHTOBEADYZKTRL-LLVKDONJSA-N 1 2 341.249 3.448 20 30 EGEDLO N#Cc1c(C[N@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)cn2ccccc12 ZINC000340201112 456311182 /nfs/dbraw/zinc/31/11/82/456311182.db2.gz IPGOAOUKGSDAJN-HZPDHXFCSA-N 1 2 337.345 3.089 20 30 EGEDLO N#Cc1c(C[N@@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)cn2ccccc12 ZINC000340201112 456311193 /nfs/dbraw/zinc/31/11/93/456311193.db2.gz IPGOAOUKGSDAJN-HZPDHXFCSA-N 1 2 337.345 3.089 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(F)cc2c1OCOC2 ZINC000352793842 456315087 /nfs/dbraw/zinc/31/50/87/456315087.db2.gz QDYVIFHIASZCDB-UHFFFAOYSA-N 1 2 347.386 3.356 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(F)cc2c1OCOC2 ZINC000352793842 456315096 /nfs/dbraw/zinc/31/50/96/456315096.db2.gz QDYVIFHIASZCDB-UHFFFAOYSA-N 1 2 347.386 3.356 20 30 EGEDLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000298757506 456533220 /nfs/dbraw/zinc/53/32/20/456533220.db2.gz JOANSONLPJDXTN-CQSZACIVSA-N 1 2 325.387 3.007 20 30 EGEDLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000298757506 456533225 /nfs/dbraw/zinc/53/32/25/456533225.db2.gz JOANSONLPJDXTN-CQSZACIVSA-N 1 2 325.387 3.007 20 30 EGEDLO Cc1cc(-c2noc([C@H](C)[NH2+]Cc3cc(C#N)n(C)c3)n2)ccc1F ZINC000276813874 456588228 /nfs/dbraw/zinc/58/82/28/456588228.db2.gz YCXCOWHGXXFUHQ-LBPRGKRZSA-N 1 2 339.374 3.245 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000337903195 456594100 /nfs/dbraw/zinc/59/41/00/456594100.db2.gz SAVVZKVPHCCOPF-SFHVURJKSA-N 1 2 348.381 3.259 20 30 EGEDLO Cc1oncc1C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348309902 456613862 /nfs/dbraw/zinc/61/38/62/456613862.db2.gz VHBQKKIAWDHXRV-KRWDZBQOSA-N 1 2 330.819 3.019 20 30 EGEDLO C=C(C)[C@H](Nc1cc(NC[C@H](C)O)[nH+]cn1)c1ccc(F)c(F)c1 ZINC000299140453 456617382 /nfs/dbraw/zinc/61/73/82/456617382.db2.gz YEYGIVLXCJPMLE-GTNSWQLSSA-N 1 2 334.370 3.277 20 30 EGEDLO C=C(C)[C@H](Nc1cc(NC[C@H](C)O)nc[nH+]1)c1ccc(F)c(F)c1 ZINC000299140453 456617392 /nfs/dbraw/zinc/61/73/92/456617392.db2.gz YEYGIVLXCJPMLE-GTNSWQLSSA-N 1 2 334.370 3.277 20 30 EGEDLO Cc1cccnc1C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348330015 456627985 /nfs/dbraw/zinc/62/79/85/456627985.db2.gz MAUXSYRIQKPVGI-IBGZPJMESA-N 1 2 340.858 3.426 20 30 EGEDLO O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)Nc1ccc(F)c(Cl)c1 ZINC000328766817 456755630 /nfs/dbraw/zinc/75/56/30/456755630.db2.gz FMDBWKFFCFISNC-ZWNOBZJWSA-N 1 2 325.771 3.118 20 30 EGEDLO O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)Nc1ccc(F)c(Cl)c1 ZINC000328766817 456755636 /nfs/dbraw/zinc/75/56/36/456755636.db2.gz FMDBWKFFCFISNC-ZWNOBZJWSA-N 1 2 325.771 3.118 20 30 EGEDLO CC1CCN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CC1 ZINC000328769392 456757169 /nfs/dbraw/zinc/75/71/69/456757169.db2.gz IKJVWFADSHHYRC-QGZVFWFLSA-N 1 2 346.475 3.116 20 30 EGEDLO CC1CCN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CC1 ZINC000328769392 456757171 /nfs/dbraw/zinc/75/71/71/456757171.db2.gz IKJVWFADSHHYRC-QGZVFWFLSA-N 1 2 346.475 3.116 20 30 EGEDLO C=C(C)CN(Cc1ccc(CO)o1)c1cc(N2CCCCC2)[nH+]cn1 ZINC000343632597 456759551 /nfs/dbraw/zinc/75/95/51/456759551.db2.gz PEEQMLAMZWUKKA-UHFFFAOYSA-N 1 2 342.443 3.135 20 30 EGEDLO C=C(C)CN(Cc1ccc(CO)o1)c1cc(N2CCCCC2)nc[nH+]1 ZINC000343632597 456759555 /nfs/dbraw/zinc/75/95/55/456759555.db2.gz PEEQMLAMZWUKKA-UHFFFAOYSA-N 1 2 342.443 3.135 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1CC(=O)Nc1nc(C)cs1 ZINC000328873222 456781244 /nfs/dbraw/zinc/78/12/44/456781244.db2.gz YUXCQTKPVBOMFO-ZDUSSCGKSA-N 1 2 333.461 3.483 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cnc2c(C)cccn12 ZINC000348641453 456796109 /nfs/dbraw/zinc/79/61/09/456796109.db2.gz JJFKGVQGWVBKDF-UHFFFAOYSA-N 1 2 325.412 3.306 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cnc2c(C)cccn12 ZINC000348641453 456796116 /nfs/dbraw/zinc/79/61/16/456796116.db2.gz JJFKGVQGWVBKDF-UHFFFAOYSA-N 1 2 325.412 3.306 20 30 EGEDLO C=C(C)CN(Cc1ccc(CO)o1)Cc1c[nH+]c2c(C)cccn12 ZINC000348641453 456796124 /nfs/dbraw/zinc/79/61/24/456796124.db2.gz JJFKGVQGWVBKDF-UHFFFAOYSA-N 1 2 325.412 3.306 20 30 EGEDLO N#CCCCOc1cccc(C[NH2+][C@H](CO)c2c(F)cccc2F)c1 ZINC000344322483 456816543 /nfs/dbraw/zinc/81/65/43/456816543.db2.gz XXDFQPIZDYVDIB-GOSISDBHSA-N 1 2 346.377 3.471 20 30 EGEDLO Cc1noc([C@@H]2CC[N@H+](CC(=O)Nc3cc(Cl)ccc3C)C2)n1 ZINC000329039211 456820446 /nfs/dbraw/zinc/82/04/46/456820446.db2.gz NVAIEYBFSPGLII-GFCCVEGCSA-N 1 2 334.807 3.417 20 30 EGEDLO Cc1noc([C@@H]2CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3C)C2)n1 ZINC000329039211 456820452 /nfs/dbraw/zinc/82/04/52/456820452.db2.gz NVAIEYBFSPGLII-GFCCVEGCSA-N 1 2 334.807 3.417 20 30 EGEDLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc1F ZINC000329043772 456821355 /nfs/dbraw/zinc/82/13/55/456821355.db2.gz PBQZWODMQVWCMT-CYBMUJFWSA-N 1 2 344.390 3.472 20 30 EGEDLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc1F ZINC000329043772 456821360 /nfs/dbraw/zinc/82/13/60/456821360.db2.gz PBQZWODMQVWCMT-CYBMUJFWSA-N 1 2 344.390 3.472 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)CCc1ccncc1)C2 ZINC000329096924 456833602 /nfs/dbraw/zinc/83/36/02/456833602.db2.gz LJRFFGPIIHCKLF-OAHLLOKOSA-N 1 2 326.444 3.480 20 30 EGEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCO[C@@H](C(C)C)C2)C1 ZINC000329156586 456845223 /nfs/dbraw/zinc/84/52/23/456845223.db2.gz VUSCEJINVWITMZ-BRWVUGGUSA-N 1 2 348.491 3.200 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc(Cl)cn3)C2)[nH]1 ZINC000329254974 456862596 /nfs/dbraw/zinc/86/25/96/456862596.db2.gz AMABXDXSUFVKTH-CMPLNLGQSA-N 1 2 348.838 3.018 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc(Cl)cn3)C2)[nH]1 ZINC000329254974 456862600 /nfs/dbraw/zinc/86/26/00/456862600.db2.gz AMABXDXSUFVKTH-CMPLNLGQSA-N 1 2 348.838 3.018 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc(Cl)cn3)C2)n1 ZINC000329254974 456862601 /nfs/dbraw/zinc/86/26/01/456862601.db2.gz AMABXDXSUFVKTH-CMPLNLGQSA-N 1 2 348.838 3.018 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc(Cl)cn3)C2)n1 ZINC000329254974 456862602 /nfs/dbraw/zinc/86/26/02/456862602.db2.gz AMABXDXSUFVKTH-CMPLNLGQSA-N 1 2 348.838 3.018 20 30 EGEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000329548130 456907142 /nfs/dbraw/zinc/90/71/42/456907142.db2.gz HPYDVWGETGBNMV-CJNGLKHVSA-N 1 2 330.819 3.281 20 30 EGEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000329548130 456907147 /nfs/dbraw/zinc/90/71/47/456907147.db2.gz HPYDVWGETGBNMV-CJNGLKHVSA-N 1 2 330.819 3.281 20 30 EGEDLO C[C@]1(c2ccccc2)CCCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329631736 456918343 /nfs/dbraw/zinc/91/83/43/456918343.db2.gz VZZVIONADTVLFM-UZLBHIALSA-N 1 2 338.455 3.235 20 30 EGEDLO C[C@]1(c2ccccc2)CCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329631736 456918349 /nfs/dbraw/zinc/91/83/49/456918349.db2.gz VZZVIONADTVLFM-UZLBHIALSA-N 1 2 338.455 3.235 20 30 EGEDLO C[C@@H]1Sc2ccc(C(=O)N[C@H]3CCc4[nH+]c[nH]c4C3)cc2NC1=O ZINC000329736964 456933703 /nfs/dbraw/zinc/93/37/03/456933703.db2.gz SUMNKICNQJXRPG-ONGXEEELSA-N 1 2 342.424 3.354 20 30 EGEDLO C[C@@H]1Sc2ccc(C(=O)N[C@H]3CCc4[nH]c[nH+]c4C3)cc2NC1=O ZINC000329736964 456933714 /nfs/dbraw/zinc/93/37/14/456933714.db2.gz SUMNKICNQJXRPG-ONGXEEELSA-N 1 2 342.424 3.354 20 30 EGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NCC[C@H]1CCO[C@H](C)C1)C2 ZINC000329758650 456936479 /nfs/dbraw/zinc/93/64/79/456936479.db2.gz NWUPNELPNQOZQG-CABCVRRESA-N 1 2 348.491 3.021 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1conc1C1CC1)C2 ZINC000329790942 456941136 /nfs/dbraw/zinc/94/11/36/456941136.db2.gz UGLBRDYNVBOIHO-GFCCVEGCSA-N 1 2 328.416 3.366 20 30 EGEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@H](CC)C2CCOCC2)C1 ZINC000329945846 456964994 /nfs/dbraw/zinc/96/49/94/456964994.db2.gz JGWDRUKKTFPUPT-IAGOWNOFSA-N 1 2 348.491 3.202 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1cccc(C#N)c1 ZINC000341836705 456965423 /nfs/dbraw/zinc/96/54/23/456965423.db2.gz SUBUDJKICBNUAO-UHFFFAOYSA-N 1 2 340.448 3.150 20 30 EGEDLO C=CC[N@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1cccc(C#N)c1 ZINC000341836705 456965427 /nfs/dbraw/zinc/96/54/27/456965427.db2.gz SUBUDJKICBNUAO-UHFFFAOYSA-N 1 2 340.448 3.150 20 30 EGEDLO O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000330093529 456984013 /nfs/dbraw/zinc/98/40/13/456984013.db2.gz ZUINAPJSEGEQHV-VIKVFOODSA-N 1 2 326.400 3.034 20 30 EGEDLO O=C(C[N@@H+]1CCOC[C@@H](C2CCC2)C1)Nc1nc2c(s1)CCCC2 ZINC000330267848 457016836 /nfs/dbraw/zinc/01/68/36/457016836.db2.gz IIFIKAJKGNYUAL-AWEZNQCLSA-N 1 2 349.500 3.358 20 30 EGEDLO O=C(C[N@H+]1CCOC[C@@H](C2CCC2)C1)Nc1nc2c(s1)CCCC2 ZINC000330267848 457016843 /nfs/dbraw/zinc/01/68/43/457016843.db2.gz IIFIKAJKGNYUAL-AWEZNQCLSA-N 1 2 349.500 3.358 20 30 EGEDLO CCC1CCC(CNC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)CC1 ZINC000330319762 457026586 /nfs/dbraw/zinc/02/65/86/457026586.db2.gz DMKSMOKZACICLU-AJTLQJAISA-N 1 2 348.491 3.360 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1cccc(C#N)c1C ZINC000356513955 457030509 /nfs/dbraw/zinc/03/05/09/457030509.db2.gz ZYEBTUIYUMRLRT-UHFFFAOYSA-N 1 2 340.333 3.442 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C[C@H](CC#N)c1ccccc1)CCC2 ZINC000356512597 457030618 /nfs/dbraw/zinc/03/06/18/457030618.db2.gz IUEZJXJRSFZNJY-ROUUACIJSA-N 1 2 336.439 3.273 20 30 EGEDLO N#CCc1cccc(C(=O)N(Cc2[nH]cc[nH+]2)c2cccc(F)c2)c1 ZINC000358951615 457040897 /nfs/dbraw/zinc/04/08/97/457040897.db2.gz KZJBYZZIOUYIDL-UHFFFAOYSA-N 1 2 334.354 3.462 20 30 EGEDLO COCC1(C#N)CC[NH+]([C@H](C)C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000341999855 457052559 /nfs/dbraw/zinc/05/25/59/457052559.db2.gz VNPPUOWFYOTSFB-CQSZACIVSA-N 1 2 349.862 3.228 20 30 EGEDLO C[C@@H](c1ccccc1F)[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000339323276 457056172 /nfs/dbraw/zinc/05/61/72/457056172.db2.gz YGBSGOZCGOVXMG-AWEZNQCLSA-N 1 2 325.387 3.007 20 30 EGEDLO C[C@@H](c1ccccc1F)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000339323276 457056177 /nfs/dbraw/zinc/05/61/77/457056177.db2.gz YGBSGOZCGOVXMG-AWEZNQCLSA-N 1 2 325.387 3.007 20 30 EGEDLO Cc1cc(NC(=O)NC[C@H](O)C(C)C)c[nH+]c1N1CCCC[C@H]1C ZINC000330770093 457082907 /nfs/dbraw/zinc/08/29/07/457082907.db2.gz AUQYOHPGGQWCEJ-ZBFHGGJFSA-N 1 2 334.464 3.112 20 30 EGEDLO C=C(CC)C[N@@H+]1CCOC[C@H]1c1c(C)nn(CC(F)(F)F)c1C ZINC000356616855 457085031 /nfs/dbraw/zinc/08/50/31/457085031.db2.gz WSZNXCHGEMPYGB-AWEZNQCLSA-N 1 2 331.382 3.402 20 30 EGEDLO C=C(CC)C[N@H+]1CCOC[C@H]1c1c(C)nn(CC(F)(F)F)c1C ZINC000356616855 457085034 /nfs/dbraw/zinc/08/50/34/457085034.db2.gz WSZNXCHGEMPYGB-AWEZNQCLSA-N 1 2 331.382 3.402 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000330991089 457115838 /nfs/dbraw/zinc/11/58/38/457115838.db2.gz YGHXMWYSEJPDLE-TYILLQQXSA-N 1 2 349.425 3.197 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000330991089 457115844 /nfs/dbraw/zinc/11/58/44/457115844.db2.gz YGHXMWYSEJPDLE-TYILLQQXSA-N 1 2 349.425 3.197 20 30 EGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCOC(C)(C)[C@H]2C)c1C ZINC000331055086 457125355 /nfs/dbraw/zinc/12/53/55/457125355.db2.gz KGYLFJXHUMIFFC-QGZVFWFLSA-N 1 2 343.471 3.049 20 30 EGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCOC(C)(C)[C@H]2C)c1C ZINC000331055086 457125363 /nfs/dbraw/zinc/12/53/63/457125363.db2.gz KGYLFJXHUMIFFC-QGZVFWFLSA-N 1 2 343.471 3.049 20 30 EGEDLO N#Cc1cccc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)c1 ZINC000349968140 457126171 /nfs/dbraw/zinc/12/61/71/457126171.db2.gz DSINZPRFQFQDCS-NRFANRHFSA-N 1 2 345.446 3.108 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)c1 ZINC000349968140 457126176 /nfs/dbraw/zinc/12/61/76/457126176.db2.gz DSINZPRFQFQDCS-NRFANRHFSA-N 1 2 345.446 3.108 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](C/C=C/c3ccc(F)cc3F)CC2)nc1 ZINC000350006989 457140694 /nfs/dbraw/zinc/14/06/94/457140694.db2.gz GUPSWMZFWWMDLH-OWOJBTEDSA-N 1 2 340.377 3.067 20 30 EGEDLO CCc1ccc(CN(C)C(=O)C[N@H+](CCC#N)CCC(C)C)cc1 ZINC000350116782 457166183 /nfs/dbraw/zinc/16/61/83/457166183.db2.gz PNYJLWPRMMBCOR-UHFFFAOYSA-N 1 2 329.488 3.469 20 30 EGEDLO CCc1ccc(CN(C)C(=O)C[N@@H+](CCC#N)CCC(C)C)cc1 ZINC000350116782 457166184 /nfs/dbraw/zinc/16/61/84/457166184.db2.gz PNYJLWPRMMBCOR-UHFFFAOYSA-N 1 2 329.488 3.469 20 30 EGEDLO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)c(Br)c1OC ZINC000331323213 457166548 /nfs/dbraw/zinc/16/65/48/457166548.db2.gz FPXQTPNUHABIFN-PWSUYJOCSA-N 1 2 339.233 3.248 20 30 EGEDLO C[N@H+](Cc1nc(Cc2cccc(F)c2)no1)Cc1ccc(C#N)cc1 ZINC000362960939 457176672 /nfs/dbraw/zinc/17/66/72/457176672.db2.gz SSTCDAIWYJSIEV-UHFFFAOYSA-N 1 2 336.370 3.303 20 30 EGEDLO C[N@@H+](Cc1nc(Cc2cccc(F)c2)no1)Cc1ccc(C#N)cc1 ZINC000362960939 457176675 /nfs/dbraw/zinc/17/66/75/457176675.db2.gz SSTCDAIWYJSIEV-UHFFFAOYSA-N 1 2 336.370 3.303 20 30 EGEDLO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000347058756 457208880 /nfs/dbraw/zinc/20/88/80/457208880.db2.gz QPQMQUKCJDJPTP-HOTGVXAUSA-N 1 2 337.261 3.446 20 30 EGEDLO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000347058756 457208886 /nfs/dbraw/zinc/20/88/86/457208886.db2.gz QPQMQUKCJDJPTP-HOTGVXAUSA-N 1 2 337.261 3.446 20 30 EGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1nccc(C#N)c1Cl ZINC000342283325 457211911 /nfs/dbraw/zinc/21/19/11/457211911.db2.gz QQKMILPMLPKUGI-UHFFFAOYSA-N 1 2 337.814 3.488 20 30 EGEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000339760057 457252873 /nfs/dbraw/zinc/25/28/73/457252873.db2.gz JEYMRYGCSDCRLU-NSHDSACASA-N 1 2 349.406 3.370 20 30 EGEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000339760057 457252880 /nfs/dbraw/zinc/25/28/80/457252880.db2.gz JEYMRYGCSDCRLU-NSHDSACASA-N 1 2 349.406 3.370 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cnn(CC(F)F)c1 ZINC000351760863 457317232 /nfs/dbraw/zinc/31/72/32/457317232.db2.gz PAFGDJPCCCRYNY-SJORKVTESA-N 1 2 330.382 3.420 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cnn(CC(F)F)c1 ZINC000351760863 457317236 /nfs/dbraw/zinc/31/72/36/457317236.db2.gz PAFGDJPCCCRYNY-SJORKVTESA-N 1 2 330.382 3.420 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN([C@H](C)c2ccsc2)CC1 ZINC000360614964 457321592 /nfs/dbraw/zinc/32/15/92/457321592.db2.gz ZNJYMQNLXYPDAD-SJORKVTESA-N 1 2 349.544 3.240 20 30 EGEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc2c(cc1Br)OCCO2 ZINC000332188521 457323252 /nfs/dbraw/zinc/32/32/52/457323252.db2.gz YNVAKKFKDGKJFM-GXFFZTMASA-N 1 2 337.217 3.002 20 30 EGEDLO C=CCCCCNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000352155513 457341785 /nfs/dbraw/zinc/34/17/85/457341785.db2.gz FJYXPAOECHZFHH-UHFFFAOYSA-N 1 2 339.395 3.285 20 30 EGEDLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)o1 ZINC000355198898 457346471 /nfs/dbraw/zinc/34/64/71/457346471.db2.gz ODDXRBYQMZCVGA-OAJLEGQYSA-N 1 2 347.418 3.248 20 30 EGEDLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)o1 ZINC000355198898 457346477 /nfs/dbraw/zinc/34/64/77/457346477.db2.gz ODDXRBYQMZCVGA-OAJLEGQYSA-N 1 2 347.418 3.248 20 30 EGEDLO C=C(C)C[N@H+]1CCOC[C@H]1c1c(C)nn(-c2cccc(OC)c2)c1C ZINC000355247281 457349701 /nfs/dbraw/zinc/34/97/01/457349701.db2.gz IVHPSKDQXFKVOT-IBGZPJMESA-N 1 2 341.455 3.447 20 30 EGEDLO C=C(C)C[N@@H+]1CCOC[C@H]1c1c(C)nn(-c2cccc(OC)c2)c1C ZINC000355247281 457349704 /nfs/dbraw/zinc/34/97/04/457349704.db2.gz IVHPSKDQXFKVOT-IBGZPJMESA-N 1 2 341.455 3.447 20 30 EGEDLO C=CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000355227347 457350011 /nfs/dbraw/zinc/35/00/11/457350011.db2.gz VHCHDUBQRFYWAH-UHFFFAOYSA-N 1 2 339.395 3.246 20 30 EGEDLO C=CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000355227347 457350018 /nfs/dbraw/zinc/35/00/18/457350018.db2.gz VHCHDUBQRFYWAH-UHFFFAOYSA-N 1 2 339.395 3.246 20 30 EGEDLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1)c1ccc(Cl)cc1 ZINC000352483255 457403734 /nfs/dbraw/zinc/40/37/34/457403734.db2.gz HWEBUVDZLKSHEB-CHWSQXEVSA-N 1 2 337.826 3.233 20 30 EGEDLO C=CCCC1(C(=O)N(C)C[C@@H]2OCC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000347441789 457430987 /nfs/dbraw/zinc/43/09/87/457430987.db2.gz BZXSKFCPPBCBPQ-OALUTQOASA-N 1 2 342.483 3.263 20 30 EGEDLO C=CCCC1(C(=O)N(C)C[C@@H]2OCC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000347441789 457430993 /nfs/dbraw/zinc/43/09/93/457430993.db2.gz BZXSKFCPPBCBPQ-OALUTQOASA-N 1 2 342.483 3.263 20 30 EGEDLO C=CCN(CCc1ccco1)C(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000352571914 457476089 /nfs/dbraw/zinc/47/60/89/457476089.db2.gz AHZKEXDFKZGNBD-UHFFFAOYSA-N 1 2 337.423 3.449 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425306169 457489940 /nfs/dbraw/zinc/48/99/40/457489940.db2.gz RUJLECCSGMJZED-LNLFQRSKSA-N 1 2 339.439 3.029 20 30 EGEDLO COc1cccc(NC2CC[NH+](Cc3nc(C#N)cs3)CC2)c1 ZINC000356214578 457538505 /nfs/dbraw/zinc/53/85/05/457538505.db2.gz ARDTXMGXJHVEOA-UHFFFAOYSA-N 1 2 328.441 3.100 20 30 EGEDLO CC(C)COC[C@H]([NH2+][C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1ccco1 ZINC000347630577 457562785 /nfs/dbraw/zinc/56/27/85/457562785.db2.gz DNHNYDSHOPXKHU-JTDSTZFVSA-N 1 2 349.475 3.026 20 30 EGEDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)c2cnn(C)c2C#N)c1 ZINC000356380020 457595851 /nfs/dbraw/zinc/59/58/51/457595851.db2.gz BPBDAFZJVSIEFC-UHFFFAOYSA-N 1 2 348.410 3.208 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[N@H+](Cc3ccccn3)C3CC3)o2)c1 ZINC000357616272 457624801 /nfs/dbraw/zinc/62/48/01/457624801.db2.gz FJSNVGLERAJDIY-UHFFFAOYSA-N 1 2 331.379 3.168 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[N@@H+](Cc3ccccn3)C3CC3)o2)c1 ZINC000357616272 457624808 /nfs/dbraw/zinc/62/48/08/457624808.db2.gz FJSNVGLERAJDIY-UHFFFAOYSA-N 1 2 331.379 3.168 20 30 EGEDLO N#CCC[C@@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000370873611 457731684 /nfs/dbraw/zinc/73/16/84/457731684.db2.gz SBAOULSYVOFPTN-IAGOWNOFSA-N 1 2 337.427 3.344 20 30 EGEDLO Cn1c2c(cccc2F)[nH+]c1N1CCCN(c2ccccc2C#N)CC1 ZINC000443509146 457772046 /nfs/dbraw/zinc/77/20/46/457772046.db2.gz KCBIIHAGFJJBRZ-UHFFFAOYSA-N 1 2 349.413 3.301 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@H](O)c3ccc(Cl)cc3)CCO2)c1 ZINC000371293134 457852075 /nfs/dbraw/zinc/85/20/75/457852075.db2.gz TZSZSIHTVYMESQ-RBUKOAKNSA-N 1 2 342.826 3.319 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@H](O)c3ccc(Cl)cc3)CCO2)c1 ZINC000371293134 457852081 /nfs/dbraw/zinc/85/20/81/457852081.db2.gz TZSZSIHTVYMESQ-RBUKOAKNSA-N 1 2 342.826 3.319 20 30 EGEDLO C=CCOc1cccc(NC(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000371296020 457852834 /nfs/dbraw/zinc/85/28/34/457852834.db2.gz WLKSRHUGOKZEJB-OAHLLOKOSA-N 1 2 340.427 3.455 20 30 EGEDLO N#CCCn1cc(C[N@@H+]2CCC[C@H]2c2ncon2)c(-c2ccccc2)n1 ZINC000371376767 457892559 /nfs/dbraw/zinc/89/25/59/457892559.db2.gz ZROPSZRZHZWRTA-KRWDZBQOSA-N 1 2 348.410 3.184 20 30 EGEDLO N#CCCn1cc(C[N@H+]2CCC[C@H]2c2ncon2)c(-c2ccccc2)n1 ZINC000371376767 457892567 /nfs/dbraw/zinc/89/25/67/457892567.db2.gz ZROPSZRZHZWRTA-KRWDZBQOSA-N 1 2 348.410 3.184 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCc3cc(C)ccc3C2)c(C#N)c1C ZINC000361844304 457903900 /nfs/dbraw/zinc/90/39/00/457903900.db2.gz VBFGLXGLDXWTDS-CQSZACIVSA-N 1 2 337.423 3.462 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCc3cc(C)ccc3C2)c(C#N)c1C ZINC000361844304 457903905 /nfs/dbraw/zinc/90/39/05/457903905.db2.gz VBFGLXGLDXWTDS-CQSZACIVSA-N 1 2 337.423 3.462 20 30 EGEDLO Cc1cc2[nH+]cn(C[C@@H](O)COc3ccc(C#N)c(C)c3)c2cc1C ZINC000434641800 458026908 /nfs/dbraw/zinc/02/69/08/458026908.db2.gz ZILBWADTRXMZKI-QGZVFWFLSA-N 1 2 335.407 3.273 20 30 EGEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)NCC(C)(C)C#N)CC1 ZINC000358633782 458119856 /nfs/dbraw/zinc/11/98/56/458119856.db2.gz LJBBYCANCGQHIJ-UHFFFAOYSA-N 1 2 339.443 3.241 20 30 EGEDLO COc1ccc(Nc2cc(NCC3(CC#N)CC3)[nH+]cn2)c(OC)c1 ZINC000362365513 458127483 /nfs/dbraw/zinc/12/74/83/458127483.db2.gz NYGBGRQULMLVFR-UHFFFAOYSA-N 1 2 339.399 3.343 20 30 EGEDLO C=C[C@H](C)NC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000362380708 458135494 /nfs/dbraw/zinc/13/54/94/458135494.db2.gz REZBLYBSZFIFFD-WFASDCNBSA-N 1 2 339.842 3.317 20 30 EGEDLO C=C[C@H](C)NC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000362380708 458135501 /nfs/dbraw/zinc/13/55/01/458135501.db2.gz REZBLYBSZFIFFD-WFASDCNBSA-N 1 2 339.842 3.317 20 30 EGEDLO Cn1c2ccc(CNC(=O)c3ccc(C#N)s3)cc2[nH+]c1C1CC1 ZINC000412330858 458170359 /nfs/dbraw/zinc/17/03/59/458170359.db2.gz MTSSSCVPMOXPBT-UHFFFAOYSA-N 1 2 336.420 3.314 20 30 EGEDLO C=CCNC(=O)c1ccc(NCc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000446883897 458241868 /nfs/dbraw/zinc/24/18/68/458241868.db2.gz KUQYCBILVJVJFM-UHFFFAOYSA-N 1 2 336.439 3.210 20 30 EGEDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ncc(C#N)cc2F)CC1 ZINC000413124806 458293641 /nfs/dbraw/zinc/29/36/41/458293641.db2.gz PLTNQOCSVUPEQB-LBPRGKRZSA-N 1 2 346.356 3.254 20 30 EGEDLO C=CCc1cc(C[NH2+]Cc2nnc(C3CC3)s2)cc(OC)c1O ZINC000414561096 458324653 /nfs/dbraw/zinc/32/46/53/458324653.db2.gz YTRSHKZBLAZZPJ-UHFFFAOYSA-N 1 2 331.441 3.148 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000416112280 458340696 /nfs/dbraw/zinc/34/06/96/458340696.db2.gz VOZRNQPMKQDYLD-QGZVFWFLSA-N 1 2 347.409 3.029 20 30 EGEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000418947948 458377061 /nfs/dbraw/zinc/37/70/61/458377061.db2.gz ODYVFSDNNIPIOI-SFHVURJKSA-N 1 2 349.862 3.112 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000419630055 458389465 /nfs/dbraw/zinc/38/94/65/458389465.db2.gz CMLVVPZYQFQIHI-AEFFLSMTSA-N 1 2 349.438 3.248 20 30 EGEDLO C=CCc1cc(C[N@H+](CCOC)Cc2cncs2)cc(OC)c1O ZINC000448368649 458400590 /nfs/dbraw/zinc/40/05/90/458400590.db2.gz WYEJNNMEOLODBJ-UHFFFAOYSA-N 1 2 348.468 3.234 20 30 EGEDLO C=CCc1cc(C[N@@H+](CCOC)Cc2cncs2)cc(OC)c1O ZINC000448368649 458400594 /nfs/dbraw/zinc/40/05/94/458400594.db2.gz WYEJNNMEOLODBJ-UHFFFAOYSA-N 1 2 348.468 3.234 20 30 EGEDLO CC[N@H+](CCCNC(=O)[C@]1(C#N)CC12CCCC2)c1ccccc1 ZINC000448603243 458402590 /nfs/dbraw/zinc/40/25/90/458402590.db2.gz HYFIZWYDZIDYEN-HXUWFJFHSA-N 1 2 325.456 3.493 20 30 EGEDLO CC[N@@H+](CCCNC(=O)[C@]1(C#N)CC12CCCC2)c1ccccc1 ZINC000448603243 458402597 /nfs/dbraw/zinc/40/25/97/458402597.db2.gz HYFIZWYDZIDYEN-HXUWFJFHSA-N 1 2 325.456 3.493 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000448649068 458403884 /nfs/dbraw/zinc/40/38/84/458403884.db2.gz GIMHNOSNHAFJKE-LESCRADOSA-N 1 2 348.874 3.136 20 30 EGEDLO C[C@@H]1CN(c2ccc(NCc3ccc(C#N)c(F)c3)c[nH+]2)C[C@@H](C)O1 ZINC000421340391 458411007 /nfs/dbraw/zinc/41/10/07/458411007.db2.gz ILGGEBRYMZCNSV-ZIAGYGMSSA-N 1 2 340.402 3.318 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cc(C(=O)OCC)c(C)[nH]1)Cc1ccc(CO)o1 ZINC000449321135 458422544 /nfs/dbraw/zinc/42/25/44/458422544.db2.gz KTMZSTXRTZQMDK-UHFFFAOYSA-N 1 2 346.427 3.163 20 30 EGEDLO C=C(C)C[N@H+](Cc1cc(C(=O)OCC)c(C)[nH]1)Cc1ccc(CO)o1 ZINC000449321135 458422547 /nfs/dbraw/zinc/42/25/47/458422547.db2.gz KTMZSTXRTZQMDK-UHFFFAOYSA-N 1 2 346.427 3.163 20 30 EGEDLO C=CCC[C@H]([NH2+]Cc1ccc(C)cc1-c1ccnn1C)C(=O)OCC ZINC000449660878 458428938 /nfs/dbraw/zinc/42/89/38/458428938.db2.gz YMMZCUGCJKHKOK-SFHVURJKSA-N 1 2 341.455 3.383 20 30 EGEDLO N#C[C@H]1CCC[C@H]([NH2+]Cc2nc3cccc(Br)c3[nH]2)C1 ZINC000449770649 458431446 /nfs/dbraw/zinc/43/14/46/458431446.db2.gz DGOCJYXICAEXLG-QWRGUYRKSA-N 1 2 333.233 3.497 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3ncccn3)C2)CCCCC1 ZINC000450914287 458459055 /nfs/dbraw/zinc/45/90/55/458459055.db2.gz PLBSYTJLFXPEPQ-KRWDZBQOSA-N 1 2 342.487 3.036 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3ncccn3)C2)CCCCC1 ZINC000450914287 458459059 /nfs/dbraw/zinc/45/90/59/458459059.db2.gz PLBSYTJLFXPEPQ-KRWDZBQOSA-N 1 2 342.487 3.036 20 30 EGEDLO Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)n1 ZINC000437899503 458509954 /nfs/dbraw/zinc/50/99/54/458509954.db2.gz VGHFMFLHTHIFFO-CMVHYPBASA-N 1 2 342.487 3.141 20 30 EGEDLO Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)n1 ZINC000437899503 458509957 /nfs/dbraw/zinc/50/99/57/458509957.db2.gz VGHFMFLHTHIFFO-CMVHYPBASA-N 1 2 342.487 3.141 20 30 EGEDLO N#C[C@@H]1[N@H+](CCCc2ccc3c(c2)CCO3)CCC[C@@]12CCCCO2 ZINC000373529339 458520448 /nfs/dbraw/zinc/52/04/48/458520448.db2.gz MUTKYHDZBJJXJH-SFTDATJTSA-N 1 2 340.467 3.481 20 30 EGEDLO N#C[C@@H]1[N@@H+](CCCc2ccc3c(c2)CCO3)CCC[C@@]12CCCCO2 ZINC000373529339 458520452 /nfs/dbraw/zinc/52/04/52/458520452.db2.gz MUTKYHDZBJJXJH-SFTDATJTSA-N 1 2 340.467 3.481 20 30 EGEDLO C=C(C)C(C)(C)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000424226166 458588216 /nfs/dbraw/zinc/58/82/16/458588216.db2.gz WWRDVBRDEPSCIN-UHFFFAOYSA-N 1 2 327.428 3.423 20 30 EGEDLO C=CCN(CCc1ccccc1)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000455482206 458601144 /nfs/dbraw/zinc/60/11/44/458601144.db2.gz XSXAFEMYYQXEGP-MRXNPFEDSA-N 1 2 326.444 3.404 20 30 EGEDLO C=CCN(CCc1ccccc1)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000455482205 458601185 /nfs/dbraw/zinc/60/11/85/458601185.db2.gz XSXAFEMYYQXEGP-INIZCTEOSA-N 1 2 326.444 3.404 20 30 EGEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000455963192 458624996 /nfs/dbraw/zinc/62/49/96/458624996.db2.gz WEZAFJFKQCJOBF-UHFFFAOYSA-N 1 2 332.407 3.091 20 30 EGEDLO CC(C)(C)OC(=O)N(CC1CC1)C1CC[NH+](CC2(C#N)CC2)CC1 ZINC000494331801 458658559 /nfs/dbraw/zinc/65/85/59/458658559.db2.gz JXWHNQVRXWJQBX-UHFFFAOYSA-N 1 2 333.476 3.402 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000432029153 458663193 /nfs/dbraw/zinc/66/31/93/458663193.db2.gz BBBWLZVIHAPBHD-KRWDZBQOSA-N 1 2 335.398 3.254 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000432029153 458663200 /nfs/dbraw/zinc/66/32/00/458663200.db2.gz BBBWLZVIHAPBHD-KRWDZBQOSA-N 1 2 335.398 3.254 20 30 EGEDLO Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000464826685 458780047 /nfs/dbraw/zinc/78/00/47/458780047.db2.gz FBBQSJLBNZFBMI-NHCUHLMSSA-N 1 2 347.462 3.383 20 30 EGEDLO Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000464826685 458780057 /nfs/dbraw/zinc/78/00/57/458780057.db2.gz FBBQSJLBNZFBMI-NHCUHLMSSA-N 1 2 347.462 3.383 20 30 EGEDLO C=CCC1(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CCCC1 ZINC000515130584 458805891 /nfs/dbraw/zinc/80/58/91/458805891.db2.gz LOXGQGXCRRLVMO-QGZVFWFLSA-N 1 2 329.444 3.381 20 30 EGEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000516947925 458824074 /nfs/dbraw/zinc/82/40/74/458824074.db2.gz SNVYTXAIGNCBME-OXQOHEQNSA-N 1 2 336.439 3.063 20 30 EGEDLO C[C@@H]1CCCC[C@H]1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000518737743 458888960 /nfs/dbraw/zinc/88/89/60/458888960.db2.gz WUHBHCGGMPDYKV-XLIONFOSSA-N 1 2 339.483 3.419 20 30 EGEDLO C[N@H+](CC#Cc1ccccc1Cl)CC(=O)Nc1cccc(F)c1 ZINC000441145744 458892948 /nfs/dbraw/zinc/89/29/48/458892948.db2.gz IFCIRDWZCYKBEV-UHFFFAOYSA-N 1 2 330.790 3.401 20 30 EGEDLO C[N@@H+](CC#Cc1ccccc1Cl)CC(=O)Nc1cccc(F)c1 ZINC000441145744 458892949 /nfs/dbraw/zinc/89/29/49/458892949.db2.gz IFCIRDWZCYKBEV-UHFFFAOYSA-N 1 2 330.790 3.401 20 30 EGEDLO CC(C)c1cccc2c1CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000475406401 458942045 /nfs/dbraw/zinc/94/20/45/458942045.db2.gz ALRIJUOXLNVRGP-HXUWFJFHSA-N 1 2 327.472 3.223 20 30 EGEDLO CC(C)c1cccc2c1CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000475406401 458942049 /nfs/dbraw/zinc/94/20/49/458942049.db2.gz ALRIJUOXLNVRGP-HXUWFJFHSA-N 1 2 327.472 3.223 20 30 EGEDLO C=C[C@@](C)(CCOC)c1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000566527973 458954081 /nfs/dbraw/zinc/95/40/81/458954081.db2.gz IBECZVJRXOAMQK-SFHVURJKSA-N 1 2 326.400 3.097 20 30 EGEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cc(F)c(F)cc1Br ZINC000556798061 459010878 /nfs/dbraw/zinc/01/08/78/459010878.db2.gz PERIEMWHZQPYON-SECBINFHSA-N 1 2 328.160 3.260 20 30 EGEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000589984944 459060032 /nfs/dbraw/zinc/06/00/32/459060032.db2.gz PKLGTKSCDINGGN-AWEZNQCLSA-N 1 2 326.375 3.337 20 30 EGEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000589984944 459060039 /nfs/dbraw/zinc/06/00/39/459060039.db2.gz PKLGTKSCDINGGN-AWEZNQCLSA-N 1 2 326.375 3.337 20 30 EGEDLO Cc1cc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000496115255 459072636 /nfs/dbraw/zinc/07/26/36/459072636.db2.gz ORNZRWFOXADWST-WFASDCNBSA-N 1 2 330.432 3.001 20 30 EGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000557610707 459090795 /nfs/dbraw/zinc/09/07/95/459090795.db2.gz GEILXLFIAOPVCN-MRXNPFEDSA-N 1 2 341.459 3.212 20 30 EGEDLO Cc1csc(NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c1C#N ZINC000567402009 459100588 /nfs/dbraw/zinc/10/05/88/459100588.db2.gz GLQCUTOOZCCULL-UHFFFAOYSA-N 1 2 329.429 3.125 20 30 EGEDLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nc1 ZINC000590754609 459205582 /nfs/dbraw/zinc/20/55/82/459205582.db2.gz MARYFOKVPQMEKP-CYBMUJFWSA-N 1 2 342.830 3.374 20 30 EGEDLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nc1 ZINC000590754609 459205586 /nfs/dbraw/zinc/20/55/86/459205586.db2.gz MARYFOKVPQMEKP-CYBMUJFWSA-N 1 2 342.830 3.374 20 30 EGEDLO Cn1cc(Br)c(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)n1 ZINC000590779367 459214568 /nfs/dbraw/zinc/21/45/68/459214568.db2.gz DTCGLJORCPGSAF-OAHLLOKOSA-N 1 2 345.244 3.221 20 30 EGEDLO Cn1cc[nH+]c1CNC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000590821897 459233897 /nfs/dbraw/zinc/23/38/97/459233897.db2.gz OVELMRKRZSLDRS-UHFFFAOYSA-N 1 2 336.420 3.203 20 30 EGEDLO N#Cc1c(NCc2ccc(N3CCCC3)[nH+]c2)cccc1-n1cccn1 ZINC000578643400 459236420 /nfs/dbraw/zinc/23/64/20/459236420.db2.gz YGTFMZXQLQTAAH-UHFFFAOYSA-N 1 2 344.422 3.351 20 30 EGEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1(C)C ZINC000590939932 459277160 /nfs/dbraw/zinc/27/71/60/459277160.db2.gz RPOYEONDFJBUEO-DLBZAZTESA-N 1 2 349.438 3.072 20 30 EGEDLO C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595616525 459370877 /nfs/dbraw/zinc/37/08/77/459370877.db2.gz RMRMBGRROZSJIE-RYUDHWBXSA-N 1 2 346.431 3.388 20 30 EGEDLO C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595616525 459370882 /nfs/dbraw/zinc/37/08/82/459370882.db2.gz RMRMBGRROZSJIE-RYUDHWBXSA-N 1 2 346.431 3.388 20 30 EGEDLO CCCc1nc(C)c(C[NH+]2CCN(c3ccsc3C#N)CC2)o1 ZINC000595629509 459374843 /nfs/dbraw/zinc/37/48/43/459374843.db2.gz FBBWENSNTBLNNO-UHFFFAOYSA-N 1 2 330.457 3.191 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCc1cc(F)cc(F)c1)Cc1ccccc1F ZINC000524753899 459387592 /nfs/dbraw/zinc/38/75/92/459387592.db2.gz GDWOLBNRJCGBBD-UHFFFAOYSA-N 1 2 348.368 3.408 20 30 EGEDLO C=CC[N@H+](CC(=O)NCc1cc(F)cc(F)c1)Cc1ccccc1F ZINC000524753899 459387599 /nfs/dbraw/zinc/38/75/99/459387599.db2.gz GDWOLBNRJCGBBD-UHFFFAOYSA-N 1 2 348.368 3.408 20 30 EGEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000595706572 459407023 /nfs/dbraw/zinc/40/70/23/459407023.db2.gz YVVGCBJOZQVGRS-RTBURBONSA-N 1 2 335.382 3.250 20 30 EGEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000595706572 459407031 /nfs/dbraw/zinc/40/70/31/459407031.db2.gz YVVGCBJOZQVGRS-RTBURBONSA-N 1 2 335.382 3.250 20 30 EGEDLO Cc1c(Cl)cnc(N2CC[NH+](Cc3ccsc3)CC2)c1C#N ZINC000541279154 459438713 /nfs/dbraw/zinc/43/87/13/459438713.db2.gz ONDWKUIHSQHXTM-UHFFFAOYSA-N 1 2 332.860 3.299 20 30 EGEDLO C[NH+](C)[C@@H](CNc1ncc2c(c1C#N)CCC2)c1c(F)cccc1F ZINC000591820355 459447412 /nfs/dbraw/zinc/44/74/12/459447412.db2.gz ROLWSDGAHZWAMX-KRWDZBQOSA-N 1 2 342.393 3.435 20 30 EGEDLO Cc1ccc(SCCNC(=O)C[N@H+](CCC#N)CC(C)(C)C)cc1 ZINC000525327698 459448315 /nfs/dbraw/zinc/44/83/15/459448315.db2.gz CYQVAOXETODUDO-UHFFFAOYSA-N 1 2 347.528 3.465 20 30 EGEDLO Cc1ccc(SCCNC(=O)C[N@@H+](CCC#N)CC(C)(C)C)cc1 ZINC000525327698 459448321 /nfs/dbraw/zinc/44/83/21/459448321.db2.gz CYQVAOXETODUDO-UHFFFAOYSA-N 1 2 347.528 3.465 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000591853041 459455582 /nfs/dbraw/zinc/45/55/82/459455582.db2.gz LIOLWSGFGZFJPM-GUYCJALGSA-N 1 2 337.427 3.145 20 30 EGEDLO N#CCc1ccc(NC(=O)NC[C@@H]2CCCn3cc[nH+]c32)c(Cl)c1 ZINC000569561971 459472197 /nfs/dbraw/zinc/47/21/97/459472197.db2.gz JZAWPWSYDBKQTQ-ZDUSSCGKSA-N 1 2 343.818 3.302 20 30 EGEDLO CC(C)n1cc([C@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)cn1 ZINC000541643779 459477663 /nfs/dbraw/zinc/47/76/63/459477663.db2.gz FRUYWYUQZNKSQZ-ZDUSSCGKSA-N 1 2 336.399 3.236 20 30 EGEDLO CC#CCCNC(=O)c1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000541808392 459494153 /nfs/dbraw/zinc/49/41/53/459494153.db2.gz UWVCYDDATIZPEA-UHFFFAOYSA-N 1 2 347.418 3.365 20 30 EGEDLO CC(C)(C)OC(=O)C[N@H+](Cc1ccc(C#N)cc1F)C1CCOCC1 ZINC000569698256 459496841 /nfs/dbraw/zinc/49/68/41/459496841.db2.gz NRPGFHJXRKXMGX-UHFFFAOYSA-N 1 2 348.418 3.020 20 30 EGEDLO CC(C)(C)OC(=O)C[N@@H+](Cc1ccc(C#N)cc1F)C1CCOCC1 ZINC000569698256 459496848 /nfs/dbraw/zinc/49/68/48/459496848.db2.gz NRPGFHJXRKXMGX-UHFFFAOYSA-N 1 2 348.418 3.020 20 30 EGEDLO Cc1cc(C[N@H+](C)CC(=O)Nc2cc(F)cc(F)c2)ccc1C#N ZINC000488247348 459541396 /nfs/dbraw/zinc/54/13/96/459541396.db2.gz VTWCFTANEGUFPF-UHFFFAOYSA-N 1 2 329.350 3.215 20 30 EGEDLO Cc1cc(C[N@@H+](C)CC(=O)Nc2cc(F)cc(F)c2)ccc1C#N ZINC000488247348 459541404 /nfs/dbraw/zinc/54/14/04/459541404.db2.gz VTWCFTANEGUFPF-UHFFFAOYSA-N 1 2 329.350 3.215 20 30 EGEDLO CCc1nc(C#N)cc(N2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)n1 ZINC000596174885 459548232 /nfs/dbraw/zinc/54/82/32/459548232.db2.gz NTIKBLNTLTVDND-INIZCTEOSA-N 1 2 346.438 3.238 20 30 EGEDLO Cc1c(N2CCC(C)(C#N)CC2)nc[nH+]c1N1CCC(C)(C#N)CC1 ZINC000596188074 459554096 /nfs/dbraw/zinc/55/40/96/459554096.db2.gz AAXKLMJWGNWADV-UHFFFAOYSA-N 1 2 338.459 3.045 20 30 EGEDLO Fc1ccc(C#CC[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)cc1 ZINC000489014529 459558364 /nfs/dbraw/zinc/55/83/64/459558364.db2.gz ATMSBPREZKFYJW-QGZVFWFLSA-N 1 2 328.362 3.255 20 30 EGEDLO Fc1ccc(C#CC[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)cc1 ZINC000489014529 459558372 /nfs/dbraw/zinc/55/83/72/459558372.db2.gz ATMSBPREZKFYJW-QGZVFWFLSA-N 1 2 328.362 3.255 20 30 EGEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1 ZINC000489395407 459562882 /nfs/dbraw/zinc/56/28/82/459562882.db2.gz DYZHHQPOHOWEMQ-QGZVFWFLSA-N 1 2 338.455 3.468 20 30 EGEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1 ZINC000489395407 459562888 /nfs/dbraw/zinc/56/28/88/459562888.db2.gz DYZHHQPOHOWEMQ-QGZVFWFLSA-N 1 2 338.455 3.468 20 30 EGEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(C)nn1-c1ccccc1F ZINC000489441264 459564083 /nfs/dbraw/zinc/56/40/83/459564083.db2.gz QSHPCUBNWCVMML-HNNXBMFYSA-N 1 2 342.418 3.299 20 30 EGEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C)nn1-c1ccccc1F ZINC000489441264 459564087 /nfs/dbraw/zinc/56/40/87/459564087.db2.gz QSHPCUBNWCVMML-HNNXBMFYSA-N 1 2 342.418 3.299 20 30 EGEDLO C=C(C)Cn1c(C)nnc1N1CCc2c([nH+]cn2-c2ccc(C)cc2)C1 ZINC000572659212 459582644 /nfs/dbraw/zinc/58/26/44/459582644.db2.gz QEXAUKUDXUJPEY-UHFFFAOYSA-N 1 2 348.454 3.219 20 30 EGEDLO C#C[C@@H](NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000491625115 459641210 /nfs/dbraw/zinc/64/12/10/459641210.db2.gz KAMPDGFCZBMJJL-HZPDHXFCSA-N 1 2 340.402 3.026 20 30 EGEDLO COc1cc(C#N)ccc1C[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000501206636 459716869 /nfs/dbraw/zinc/71/68/69/459716869.db2.gz PUZKNRIQMMDQLU-YVMONPNESA-N 1 2 347.462 3.398 20 30 EGEDLO N#Cc1cnc(C[NH+]2CCC(c3ccnc4ccccc43)CC2)nc1 ZINC000584418602 459733851 /nfs/dbraw/zinc/73/38/51/459733851.db2.gz FYAUBLVAOYWPKM-UHFFFAOYSA-N 1 2 329.407 3.276 20 30 EGEDLO N#CC1(c2ccccn2)CCN(c2nc(C3CC3)[nH+]c3c2CCC3)CC1 ZINC000573902090 459753874 /nfs/dbraw/zinc/75/38/74/459753874.db2.gz RZWHNUJIWLGAAV-UHFFFAOYSA-N 1 2 345.450 3.299 20 30 EGEDLO Cc1cccc2sc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c(Cl)c21 ZINC000593155583 459790417 /nfs/dbraw/zinc/79/04/17/459790417.db2.gz GRFGIPTZXYIAQD-MRXNPFEDSA-N 1 2 335.860 3.437 20 30 EGEDLO N#CC1(CC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCCCC1 ZINC000596922938 459796177 /nfs/dbraw/zinc/79/61/77/459796177.db2.gz CSBXYJTXRVVMPJ-UHFFFAOYSA-N 1 2 340.402 3.492 20 30 EGEDLO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1C[C@@H](O)CC1(C#N)CC1 ZINC000528380209 459804362 /nfs/dbraw/zinc/80/43/62/459804362.db2.gz MOKGESCKWCCXMS-KEYYUXOJSA-N 1 2 334.847 3.157 20 30 EGEDLO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1C[C@@H](O)CC1(C#N)CC1 ZINC000528380209 459804365 /nfs/dbraw/zinc/80/43/65/459804365.db2.gz MOKGESCKWCCXMS-KEYYUXOJSA-N 1 2 334.847 3.157 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000597181041 459864975 /nfs/dbraw/zinc/86/49/75/459864975.db2.gz ZKWMJALUWHLUJD-MGPQQGTHSA-N 1 2 340.452 3.414 20 30 EGEDLO COc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)c(F)c1 ZINC000593567094 459923836 /nfs/dbraw/zinc/92/38/36/459923836.db2.gz MBFIPHSIZAUROK-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO CC[C@H](CC#N)[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000575134740 459935761 /nfs/dbraw/zinc/93/57/61/459935761.db2.gz HOAQNBKGQAHEEY-DGCLKSJQSA-N 1 2 326.227 3.381 20 30 EGEDLO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598608021 459963578 /nfs/dbraw/zinc/96/35/78/459963578.db2.gz PXLPZNYWPPLFLX-KBRIMQKVSA-N 1 2 336.863 3.403 20 30 EGEDLO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598608021 459963583 /nfs/dbraw/zinc/96/35/83/459963583.db2.gz PXLPZNYWPPLFLX-KBRIMQKVSA-N 1 2 336.863 3.403 20 30 EGEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000609485042 459969969 /nfs/dbraw/zinc/96/99/69/459969969.db2.gz IFYIGJSYWLLIKG-INIZCTEOSA-N 1 2 341.377 3.251 20 30 EGEDLO N#CCCCCCC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000588752819 459976865 /nfs/dbraw/zinc/97/68/65/459976865.db2.gz NFFLUSRIBSIFDN-UHFFFAOYSA-N 1 2 326.400 3.375 20 30 EGEDLO CN(C)c1[nH]c2ccc(NC(=O)CC3(C#N)CCCCC3)cc2[nH+]1 ZINC000597584617 460000253 /nfs/dbraw/zinc/00/02/53/460000253.db2.gz RGCBQFQADBJQAO-UHFFFAOYSA-N 1 2 325.416 3.432 20 30 EGEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000593962052 460028790 /nfs/dbraw/zinc/02/87/90/460028790.db2.gz POBMJZGQPRKCIG-INIZCTEOSA-N 1 2 348.450 3.048 20 30 EGEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(C#N)cn3)n2)cc1 ZINC000593969778 460033298 /nfs/dbraw/zinc/03/32/98/460033298.db2.gz FTEXRDHMEYAQJT-CYBMUJFWSA-N 1 2 333.395 3.416 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](OC3CCC3)C2)c(C#N)c1C ZINC000594026124 460061905 /nfs/dbraw/zinc/06/19/05/460061905.db2.gz DCRXTJWLZCDFGQ-HNNXBMFYSA-N 1 2 347.484 3.209 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](OC3CCC3)C2)c(C#N)c1C ZINC000594026124 460061914 /nfs/dbraw/zinc/06/19/14/460061914.db2.gz DCRXTJWLZCDFGQ-HNNXBMFYSA-N 1 2 347.484 3.209 20 30 EGEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000602862845 460163659 /nfs/dbraw/zinc/16/36/59/460163659.db2.gz MHJQJCACGKFAEY-FOIQADDNSA-N 1 2 339.414 3.265 20 30 EGEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000602867115 460164958 /nfs/dbraw/zinc/16/49/58/460164958.db2.gz BKZQMDIAQDPILO-KBPBESRZSA-N 1 2 343.427 3.337 20 30 EGEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@H]3c3cccc(F)c3)C2=O)cc1 ZINC000610505438 460168977 /nfs/dbraw/zinc/16/89/77/460168977.db2.gz LMGWKNXFUXHQBH-MOPGFXCFSA-N 1 2 335.382 3.250 20 30 EGEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@H]3c3cccc(F)c3)C2=O)cc1 ZINC000610505438 460168984 /nfs/dbraw/zinc/16/89/84/460168984.db2.gz LMGWKNXFUXHQBH-MOPGFXCFSA-N 1 2 335.382 3.250 20 30 EGEDLO Cc1ccn2cc(CNC(=O)N[C@@H]3CCc4cc(C#N)ccc43)[nH+]c2c1 ZINC000618807217 460184575 /nfs/dbraw/zinc/18/45/75/460184575.db2.gz WFZYNFFHSXYSIG-GOSISDBHSA-N 1 2 345.406 3.001 20 30 EGEDLO CCN1C[C@@H](C[N@H+](C)Cc2cc(F)ccc2C#N)Oc2ccccc21 ZINC000610728542 460226840 /nfs/dbraw/zinc/22/68/40/460226840.db2.gz RFTLNCLBIKYNDX-GOSISDBHSA-N 1 2 339.414 3.417 20 30 EGEDLO CCN1C[C@@H](C[N@@H+](C)Cc2cc(F)ccc2C#N)Oc2ccccc21 ZINC000610728542 460226843 /nfs/dbraw/zinc/22/68/43/460226843.db2.gz RFTLNCLBIKYNDX-GOSISDBHSA-N 1 2 339.414 3.417 20 30 EGEDLO C=CCCCCn1cc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)nn1 ZINC000603198834 460263376 /nfs/dbraw/zinc/26/33/76/460263376.db2.gz PIRXFBPEQQHRGP-UHFFFAOYSA-N 1 2 348.491 3.188 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c(C#N)c1C ZINC000610967440 460268123 /nfs/dbraw/zinc/26/81/23/460268123.db2.gz YQLDMNQWOBJZFL-KRWDZBQOSA-N 1 2 339.395 3.249 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(O)cc2)c(C#N)c1C ZINC000610967440 460268125 /nfs/dbraw/zinc/26/81/25/460268125.db2.gz YQLDMNQWOBJZFL-KRWDZBQOSA-N 1 2 339.395 3.249 20 30 EGEDLO COCCOCc1cc(C#N)ccc1NCCc1cccc(C)[nH+]1 ZINC000603361825 460289896 /nfs/dbraw/zinc/28/98/96/460289896.db2.gz BNLGBGWUJVRNAY-UHFFFAOYSA-N 1 2 325.412 3.079 20 30 EGEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000619719114 460422541 /nfs/dbraw/zinc/42/25/41/460422541.db2.gz WHPNGNIZQGFHCN-CQSZACIVSA-N 1 2 334.803 3.388 20 30 EGEDLO C=CCCn1cc(C[N@H+]2Cc3ccc(OC)cc3OC(C)(C)C2)nn1 ZINC000653769061 461849746 /nfs/dbraw/zinc/84/97/46/461849746.db2.gz RCOTWXSADJAYSF-UHFFFAOYSA-N 1 2 342.443 3.036 20 30 EGEDLO C=CCCn1cc(C[N@@H+]2Cc3ccc(OC)cc3OC(C)(C)C2)nn1 ZINC000653769061 461849750 /nfs/dbraw/zinc/84/97/50/461849750.db2.gz RCOTWXSADJAYSF-UHFFFAOYSA-N 1 2 342.443 3.036 20 30 EGEDLO C=CC[N@H+](CC(=O)c1cc(C)n(Cc2ccco2)c1C)[C@H](C)COC ZINC000661243937 462167636 /nfs/dbraw/zinc/16/76/36/462167636.db2.gz OFTCAEIZAGZEFD-MRXNPFEDSA-N 1 2 344.455 3.452 20 30 EGEDLO C=CC[N@@H+](CC(=O)c1cc(C)n(Cc2ccco2)c1C)[C@H](C)COC ZINC000661243937 462167644 /nfs/dbraw/zinc/16/76/44/462167644.db2.gz OFTCAEIZAGZEFD-MRXNPFEDSA-N 1 2 344.455 3.452 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H](C)COC ZINC000661244475 462168497 /nfs/dbraw/zinc/16/84/97/462168497.db2.gz UWRFZUPVCXCNRZ-LBPRGKRZSA-N 1 2 330.350 3.167 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H](C)COC ZINC000661244475 462168502 /nfs/dbraw/zinc/16/85/02/462168502.db2.gz UWRFZUPVCXCNRZ-LBPRGKRZSA-N 1 2 330.350 3.167 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)[C@@H](C)COC ZINC000661244671 462168837 /nfs/dbraw/zinc/16/88/37/462168837.db2.gz XGJIRCSTPMRSOC-NSHDSACASA-N 1 2 331.243 3.455 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)[C@@H](C)COC ZINC000661244671 462168840 /nfs/dbraw/zinc/16/88/40/462168840.db2.gz XGJIRCSTPMRSOC-NSHDSACASA-N 1 2 331.243 3.455 20 30 EGEDLO CC#CC[NH2+]Cc1cn(CCCOc2cccc3ccccc32)nn1 ZINC000640990025 462536722 /nfs/dbraw/zinc/53/67/22/462536722.db2.gz TTYHJYGFSSEAFI-UHFFFAOYSA-N 1 2 334.423 3.013 20 30 EGEDLO C[C@@H]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000129818193 533985920 /nfs/dbraw/zinc/98/59/20/533985920.db2.gz OGUVXDUNQMPORW-MLGOLLRUSA-N 1 2 327.363 3.009 20 30 EGEDLO N#Cc1cccc(OCCCCC(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000178367088 534812081 /nfs/dbraw/zinc/81/20/81/534812081.db2.gz IXLJGQNLIGQLQD-UHFFFAOYSA-N 1 2 348.406 3.071 20 30 EGEDLO CC(C)c1noc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000171609934 528498997 /nfs/dbraw/zinc/49/89/97/528498997.db2.gz FGWFTSBOCFFXJX-UHFFFAOYSA-N 1 2 326.400 3.108 20 30 EGEDLO CC1(C)Cc2cc([NH+]=C([O-])N[C@@H]3CCc4[nH]c[nH+]c4C3)ccc2O1 ZINC000329502437 547499532 /nfs/dbraw/zinc/49/95/32/547499532.db2.gz HVKYRGIXAZUQAH-CYBMUJFWSA-N 1 2 326.400 3.007 20 30 EGEDLO CC1(C)Cc2cc([NH+]=C([O-])N[C@@H]3CCc4[nH+]c[nH]c4C3)ccc2O1 ZINC000329502437 547499534 /nfs/dbraw/zinc/49/95/34/547499534.db2.gz HVKYRGIXAZUQAH-CYBMUJFWSA-N 1 2 326.400 3.007 20 30 EGEDLO COc1ccc2c(c1NC(=O)N1CCC(c3c[nH+]c[nH]3)CC1)CCC2 ZINC000330099603 547512885 /nfs/dbraw/zinc/51/28/85/547512885.db2.gz DHSQGQAVHSXAEM-UHFFFAOYSA-N 1 2 340.427 3.332 20 30 EGEDLO COc1ccc2c(c1NC(=O)N1CCC(c3c[nH]c[nH+]3)CC1)CCC2 ZINC000330099603 547512890 /nfs/dbraw/zinc/51/28/90/547512890.db2.gz DHSQGQAVHSXAEM-UHFFFAOYSA-N 1 2 340.427 3.332 20 30 EGEDLO C[C@H](NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)C12CC3CC(CC(C3)C1)C2 ZINC000330185686 547514751 /nfs/dbraw/zinc/51/47/51/547514751.db2.gz RMEQXARZPKWHHQ-JWMYSTGGSA-N 1 2 342.487 3.306 20 30 EGEDLO C[C@H]([NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1)C12CC3CC(CC(C3)C1)C2 ZINC000330185686 547514754 /nfs/dbraw/zinc/51/47/54/547514754.db2.gz RMEQXARZPKWHHQ-JWMYSTGGSA-N 1 2 342.487 3.306 20 30 EGEDLO Cc1cc(C)c(CCNC(=O)C[N@@H+](CCC#N)CC(C)C)c(C)c1 ZINC000739914298 574576398 /nfs/dbraw/zinc/57/63/98/574576398.db2.gz HJUQURONVWLULU-UHFFFAOYSA-N 1 2 329.488 3.142 20 30 EGEDLO Cc1cc(C)c(CCNC(=O)C[N@H+](CCC#N)CC(C)C)c(C)c1 ZINC000739914298 574576399 /nfs/dbraw/zinc/57/63/99/574576399.db2.gz HJUQURONVWLULU-UHFFFAOYSA-N 1 2 329.488 3.142 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000730097260 574919724 /nfs/dbraw/zinc/91/97/24/574919724.db2.gz LBIADPDGDZPUAI-HNNXBMFYSA-N 1 2 325.412 3.161 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000730097260 574919725 /nfs/dbraw/zinc/91/97/25/574919725.db2.gz LBIADPDGDZPUAI-HNNXBMFYSA-N 1 2 325.412 3.161 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000730274999 574965147 /nfs/dbraw/zinc/96/51/47/574965147.db2.gz ODJAJWZLABFGAS-IBGZPJMESA-N 1 2 334.444 3.184 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000730274999 574965150 /nfs/dbraw/zinc/96/51/50/574965150.db2.gz ODJAJWZLABFGAS-IBGZPJMESA-N 1 2 334.444 3.184 20 30 EGEDLO C#CCOc1cccc([C@@H](C)OC(=O)Cc2cn3ccccc3[nH+]2)c1 ZINC000730699701 575011967 /nfs/dbraw/zinc/01/19/67/575011967.db2.gz JZZPBMDLSPKVHS-OAHLLOKOSA-N 1 2 334.375 3.193 20 30 EGEDLO C[N@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccc(OCC#N)cc1 ZINC000731211573 575060603 /nfs/dbraw/zinc/06/06/03/575060603.db2.gz OMDYGJBRMMBNQG-UHFFFAOYSA-N 1 2 332.407 3.407 20 30 EGEDLO C[N@@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccc(OCC#N)cc1 ZINC000731211573 575060604 /nfs/dbraw/zinc/06/06/04/575060604.db2.gz OMDYGJBRMMBNQG-UHFFFAOYSA-N 1 2 332.407 3.407 20 30 EGEDLO Cc1cccn2cc(CC(=O)OCCCOc3ccc(C#N)cc3)[nH+]c12 ZINC000732357160 575261927 /nfs/dbraw/zinc/26/19/27/575261927.db2.gz FALNCLCEMRSRDD-UHFFFAOYSA-N 1 2 349.390 3.069 20 30 EGEDLO C#CCOc1ccc(C[NH2+][C@@H](c2nccn2C)c2ccccc2)cc1 ZINC000733324083 575327494 /nfs/dbraw/zinc/32/74/94/575327494.db2.gz HTDRVNIKVNCNDU-HXUWFJFHSA-N 1 2 331.419 3.311 20 30 EGEDLO COc1cccc(O)c1/C=N\C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000734303477 575463972 /nfs/dbraw/zinc/46/39/72/575463972.db2.gz QYKWRQPRQGCTOV-IZBZYRJBSA-N 1 2 334.366 3.401 20 30 EGEDLO C#CCC[NH+]1CCN(C(=O)c2oc3ccccc3c2CSC)CC1 ZINC000744366200 576826499 /nfs/dbraw/zinc/82/64/99/576826499.db2.gz HLHGIRMIEQKJAJ-UHFFFAOYSA-N 1 2 342.464 3.077 20 30 EGEDLO N#Cc1cc(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1F ZINC000077499029 1292468627 /nfs/dbraw/zinc/46/86/27/1292468627.db2.gz OGHZYNCNWQPZQL-UHFFFAOYSA-N 1 2 335.342 3.205 20 30 EGEDLO COc1ccc(C(N)=[NH+]OCc2nnc(-c3ccccc3)s2)cc1 ZINC000127900950 1293576344 /nfs/dbraw/zinc/57/63/44/1293576344.db2.gz NGNNLSDKQGXJKV-UHFFFAOYSA-N 1 2 340.408 3.051 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000135076730 1293787907 /nfs/dbraw/zinc/78/79/07/1293787907.db2.gz CJMAONZHRUYFPZ-HXUWFJFHSA-N 1 2 329.488 3.440 20 30 EGEDLO C=CCN1C(=O)/C(=C/c2ccc(-n3cc[nH+]c3)cc2)SC1=S ZINC000209721607 1296099845 /nfs/dbraw/zinc/09/98/45/1296099845.db2.gz ZWPSDEQKVLCTJQ-UVTDQMKNSA-N 1 2 327.434 3.260 20 30 EGEDLO C[C@H]1CCc2nc([NH+]=C([O-])N3CCC(n4cc[nH+]c4)CC3)sc2C1 ZINC000328840955 1297259098 /nfs/dbraw/zinc/25/90/98/1297259098.db2.gz OLNCYJOOPATLJI-LBPRGKRZSA-N 1 2 345.472 3.347 20 30 EGEDLO C#CC[N@@H+](Cc1ccc(C(=O)OC)cc1Br)CC1CC1 ZINC000382543029 1297560736 /nfs/dbraw/zinc/56/07/36/1297560736.db2.gz WMQCLRGTIHFQMC-UHFFFAOYSA-N 1 2 336.229 3.081 20 30 EGEDLO C#CC[N@H+](Cc1ccc(C(=O)OC)cc1Br)CC1CC1 ZINC000382543029 1297560749 /nfs/dbraw/zinc/56/07/49/1297560749.db2.gz WMQCLRGTIHFQMC-UHFFFAOYSA-N 1 2 336.229 3.081 20 30 EGEDLO C#C[C@@](C)(CC)[NH2+]Cc1nnc(-c2ccccc2Br)o1 ZINC000384188037 1297576951 /nfs/dbraw/zinc/57/69/51/1297576951.db2.gz UCXKALPILDBKTE-HNNXBMFYSA-N 1 2 334.217 3.391 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)c2ccccc2F)C1 ZINC000586067404 1298048419 /nfs/dbraw/zinc/04/84/19/1298048419.db2.gz WGQWEWXPDCNWNX-KRWDZBQOSA-N 1 2 337.398 3.092 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2F)C1 ZINC000586067404 1298048426 /nfs/dbraw/zinc/04/84/26/1298048426.db2.gz WGQWEWXPDCNWNX-KRWDZBQOSA-N 1 2 337.398 3.092 20 30 EGEDLO C[C@@H](CC1(C#N)CCOCC1)[NH2+]c1ccc(N2CCC(O)CC2)cc1 ZINC000876821406 1299012446 /nfs/dbraw/zinc/01/24/46/1299012446.db2.gz GAFIBWSFTHHOCJ-INIZCTEOSA-N 1 2 343.471 3.159 20 30 EGEDLO C[C@@H](CC1(C#N)CCOCC1)Nc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000876821406 1299012454 /nfs/dbraw/zinc/01/24/54/1299012454.db2.gz GAFIBWSFTHHOCJ-INIZCTEOSA-N 1 2 343.471 3.159 20 30 EGEDLO C#CCNC(=O)C[NH2+][C@H](c1ccc(F)c(C)c1)c1ccccc1Cl ZINC000749275328 1299184317 /nfs/dbraw/zinc/18/43/17/1299184317.db2.gz BWLLTHAIRLUGJG-LJQANCHMSA-N 1 2 344.817 3.216 20 30 EGEDLO CC(C)(CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)CC(F)F ZINC000877895854 1299627073 /nfs/dbraw/zinc/62/70/73/1299627073.db2.gz LMGGNVBZOLQURS-UHFFFAOYSA-N 1 2 349.425 3.274 20 30 EGEDLO NC(=[NH+]OCc1ccn(-c2c(F)cccc2F)n1)c1ccc(F)cc1 ZINC000752762730 1299789329 /nfs/dbraw/zinc/78/93/29/1299789329.db2.gz WWCGESLKBXCDBW-UHFFFAOYSA-N 1 2 346.312 3.127 20 30 EGEDLO N#Cc1ccc(-c2ccn(C[NH+]3CCN(c4cccs4)CC3)n2)cc1 ZINC000757616806 1300695974 /nfs/dbraw/zinc/69/59/74/1300695974.db2.gz YMAKTAFNGQOGMN-UHFFFAOYSA-N 1 2 349.463 3.263 20 30 EGEDLO C[C@H]1CCCC[C@@H]1NC(=S)N[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000758368561 1300863426 /nfs/dbraw/zinc/86/34/26/1300863426.db2.gz YAXAFFAGIMFUSV-HOCLYGCPSA-N 1 2 345.516 3.059 20 30 EGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(F)CC1 ZINC000880241047 1300999133 /nfs/dbraw/zinc/99/91/33/1300999133.db2.gz QJRDGWKBKSTUCC-ZDUSSCGKSA-N 1 2 335.448 3.311 20 30 EGEDLO COc1ccc(C[N@H+](CCO)Cc2ccc(Cl)cc2C#N)cc1 ZINC000880572427 1301168746 /nfs/dbraw/zinc/16/87/46/1301168746.db2.gz RIDPCXDJNRDKLT-UHFFFAOYSA-N 1 2 330.815 3.215 20 30 EGEDLO COc1ccc(C[N@@H+](CCO)Cc2ccc(Cl)cc2C#N)cc1 ZINC000880572427 1301168752 /nfs/dbraw/zinc/16/87/52/1301168752.db2.gz RIDPCXDJNRDKLT-UHFFFAOYSA-N 1 2 330.815 3.215 20 30 EGEDLO COc1cc(F)ccc1N[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000761884514 1301560647 /nfs/dbraw/zinc/56/06/47/1301560647.db2.gz HVHPBGJQKWJFAE-UHFFFAOYSA-N 1 2 329.375 3.117 20 30 EGEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@@H](C3CC3)C2)nc1-c1ccccn1 ZINC000763334763 1301879961 /nfs/dbraw/zinc/87/99/61/1301879961.db2.gz VDJGRPLRARTQNY-OAHLLOKOSA-N 1 2 341.484 3.351 20 30 EGEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@@H](C3CC3)C2)nc1-c1ccccn1 ZINC000763334763 1301879968 /nfs/dbraw/zinc/87/99/68/1301879968.db2.gz VDJGRPLRARTQNY-OAHLLOKOSA-N 1 2 341.484 3.351 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c1=S ZINC000765029401 1302187016 /nfs/dbraw/zinc/18/70/16/1302187016.db2.gz MMYITGCQMLFTMP-KBPBESRZSA-N 1 2 329.473 3.350 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2C[C@@H](C)C[C@@H]2C)c1=S ZINC000765029401 1302187021 /nfs/dbraw/zinc/18/70/21/1302187021.db2.gz MMYITGCQMLFTMP-KBPBESRZSA-N 1 2 329.473 3.350 20 30 EGEDLO COC(=O)c1coc(C(=O)/C=C\c2c[nH+]c3ccc(Cl)cn23)c1 ZINC000766492388 1302462800 /nfs/dbraw/zinc/46/28/00/1302462800.db2.gz XEIAHELFALISJO-ARJAWSKDSA-N 1 2 330.727 3.263 20 30 EGEDLO C=CCOc1cc(OC)ccc1C(=O)OCc1cccc2[nH+]ccn21 ZINC000766881298 1302537643 /nfs/dbraw/zinc/53/76/43/1302537643.db2.gz ARRQNXCSEUHHGU-UHFFFAOYSA-N 1 2 338.363 3.265 20 30 EGEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@@H]2CCC(C)(C)C2)CC1=O ZINC000768321441 1302879085 /nfs/dbraw/zinc/87/90/85/1302879085.db2.gz UUOQQQILTUNAAN-CYBMUJFWSA-N 1 2 338.455 3.225 20 30 EGEDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)C2 ZINC000769371934 1303100042 /nfs/dbraw/zinc/10/00/42/1303100042.db2.gz VCFIHMIJDFYVRT-AWEZNQCLSA-N 1 2 336.391 3.280 20 30 EGEDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)C2 ZINC000769371934 1303100051 /nfs/dbraw/zinc/10/00/51/1303100051.db2.gz VCFIHMIJDFYVRT-AWEZNQCLSA-N 1 2 336.391 3.280 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(O)(CC=C)CC1 ZINC000886759382 1303586162 /nfs/dbraw/zinc/58/61/62/1303586162.db2.gz DSKWRNDJANQUEK-UHFFFAOYSA-N 1 2 346.496 3.306 20 30 EGEDLO Cc1cc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)ccc1C#N ZINC000774911948 1303877010 /nfs/dbraw/zinc/87/70/10/1303877010.db2.gz JHRCCCAQSMCEJI-MSOLQXFVSA-N 1 2 342.464 3.253 20 30 EGEDLO Cc1cc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)ccc1C#N ZINC000774911948 1303877013 /nfs/dbraw/zinc/87/70/13/1303877013.db2.gz JHRCCCAQSMCEJI-MSOLQXFVSA-N 1 2 342.464 3.253 20 30 EGEDLO N#CCC[C@@H]([NH2+]Cc1cn(Cc2ccccc2)nn1)c1ccccc1 ZINC000775655982 1304006217 /nfs/dbraw/zinc/00/62/17/1304006217.db2.gz WAABZTBEEHMZNK-HXUWFJFHSA-N 1 2 331.423 3.461 20 30 EGEDLO N#CCC[C@H]([NH2+]Cc1cn(Cc2ccccc2)nn1)c1ccccc1 ZINC000775655981 1304007049 /nfs/dbraw/zinc/00/70/49/1304007049.db2.gz WAABZTBEEHMZNK-FQEVSTJZSA-N 1 2 331.423 3.461 20 30 EGEDLO C#C[C@H]([NH2+]Cc1c(C)nn(-c2ccccc2)c1Cl)[C@@H]1CCCO1 ZINC000775793131 1304037837 /nfs/dbraw/zinc/03/78/37/1304037837.db2.gz VKOGTILFICAEDE-IRXDYDNUSA-N 1 2 329.831 3.105 20 30 EGEDLO CC(=[NH+]Nc1ccnc(F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000781133856 1304776332 /nfs/dbraw/zinc/77/63/32/1304776332.db2.gz VRHNHHYYSQOGRE-UHFFFAOYSA-N 1 2 332.354 3.033 20 30 EGEDLO Cc1cn(C[NH+]2CCC(CC#N)CC2)c(=O)n1-c1ccccc1Cl ZINC000781572069 1304843938 /nfs/dbraw/zinc/84/39/38/1304843938.db2.gz OXPIMTWFWUKOPQ-UHFFFAOYSA-N 1 2 344.846 3.184 20 30 EGEDLO C=CCn1c(SCc2cc[nH+]c(N(C)C)c2)nnc1-c1ccco1 ZINC000782111213 1304918026 /nfs/dbraw/zinc/91/80/26/1304918026.db2.gz DZTICZOELDNCRO-UHFFFAOYSA-N 1 2 341.440 3.477 20 30 EGEDLO N#Cc1ccc(CO[NH+]=C(N)c2ccc(Br)cc2)c(F)c1 ZINC000782949210 1305027730 /nfs/dbraw/zinc/02/77/30/1305027730.db2.gz RJCFLUOQXXPIOU-UHFFFAOYSA-N 1 2 348.175 3.297 20 30 EGEDLO CCc1nc(CO[NH+]=C(N)c2ccc(Br)cc2)cs1 ZINC000782947615 1305028037 /nfs/dbraw/zinc/02/80/37/1305028037.db2.gz CUWDYZXHCXRKLK-UHFFFAOYSA-N 1 2 340.246 3.305 20 30 EGEDLO N#CCc1ccc(CO[NH+]=C(N)c2ccc(Br)cc2)cc1 ZINC000784058991 1305183952 /nfs/dbraw/zinc/18/39/52/1305183952.db2.gz SHMUWQGLXDLVGK-UHFFFAOYSA-N 1 2 344.212 3.352 20 30 EGEDLO C[C@H](O[NH+]=C(N)c1ccc(F)cc1)c1noc(-c2ccccc2)n1 ZINC000789589263 1306188747 /nfs/dbraw/zinc/18/87/47/1306188747.db2.gz RMJGIMZPNJUFNO-NSHDSACASA-N 1 2 326.331 3.274 20 30 EGEDLO C#CCN(C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)C1CCCCC1 ZINC000793248286 1309329778 /nfs/dbraw/zinc/32/97/78/1309329778.db2.gz BCGUDTHJBQSMCG-UHFFFAOYSA-N 1 2 345.393 3.417 20 30 EGEDLO C[NH+](C)Cc1cnc(/C=C2\COc3c(F)cc(F)cc3C2=O)s1 ZINC000794698281 1309578147 /nfs/dbraw/zinc/57/81/47/1309578147.db2.gz IKJZXCZLIOICPT-YCRREMRBSA-N 1 2 336.363 3.142 20 30 EGEDLO CC(=NNCc1ccccc1N(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000794958715 1309632123 /nfs/dbraw/zinc/63/21/23/1309632123.db2.gz XNBPCIMMLZRASH-UHFFFAOYSA-N 1 2 333.439 3.452 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OCc1cccc(C#N)c1 ZINC000796005987 1309883590 /nfs/dbraw/zinc/88/35/90/1309883590.db2.gz YUSONROKRCKWAS-UHFFFAOYSA-N 1 2 341.317 3.238 20 30 EGEDLO N#CCCN(C(=O)C[NH+]1CCC(F)(F)CC1)c1cccc(Cl)c1 ZINC000796552902 1310030954 /nfs/dbraw/zinc/03/09/54/1310030954.db2.gz VMGCHBNFCAYNHI-UHFFFAOYSA-N 1 2 341.789 3.318 20 30 EGEDLO CCc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 ZINC000798275320 1310333120 /nfs/dbraw/zinc/33/31/20/1310333120.db2.gz PWUIYPICCRGUMG-DLBZAZTESA-N 1 2 329.444 3.098 20 30 EGEDLO N#Cc1ccc(N[NH2+]C2=CC(=O)N3CCCC[C@@H]23)cc1C(F)(F)F ZINC000799479251 1310557909 /nfs/dbraw/zinc/55/79/09/1310557909.db2.gz YGFRYJRMYSEGOA-AWEZNQCLSA-N 1 2 336.317 3.130 20 30 EGEDLO C=CCn1nnn(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c1=S ZINC000800866784 1310821518 /nfs/dbraw/zinc/82/15/18/1310821518.db2.gz SETWYLWBQQSELA-BJWYYQGGSA-N 1 2 341.484 3.363 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c1=S ZINC000800866784 1310821524 /nfs/dbraw/zinc/82/15/24/1310821524.db2.gz SETWYLWBQQSELA-BJWYYQGGSA-N 1 2 341.484 3.363 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2coc3ccc(Cl)cc23)C1 ZINC000957331452 1317289725 /nfs/dbraw/zinc/28/97/25/1317289725.db2.gz MJYWQTGCOGUIRF-UHFFFAOYSA-N 1 2 330.815 3.256 20 30 EGEDLO CCS(=O)(=O)Nc1ccc(C(=O)/C=C\c2c[nH+]cn2C(C)C)cc1 ZINC000901472574 1317433600 /nfs/dbraw/zinc/43/36/00/1317433600.db2.gz LXKXHUSXEBJQOE-KTKRTIGZSA-N 1 2 347.440 3.122 20 30 EGEDLO Cn1c[nH+]cc1/C=C/C(=O)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000901485828 1317434887 /nfs/dbraw/zinc/43/48/87/1317434887.db2.gz QFHHUOVZHVIWEY-FYCOFBDGSA-N 1 2 344.386 3.403 20 30 EGEDLO C=C[C@@H](C(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000957743929 1317607560 /nfs/dbraw/zinc/60/75/60/1317607560.db2.gz DOSHDUSHXIUZAF-OAQYLSRUSA-N 1 2 345.446 3.172 20 30 EGEDLO C[C@H](C[N@H+](C)Cc1ccccc1)/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000809144180 1317774047 /nfs/dbraw/zinc/77/40/47/1317774047.db2.gz GKQXYOQDDLGESL-AXLWCPOOSA-N 1 2 327.384 3.240 20 30 EGEDLO C[C@H](C[N@@H+](C)Cc1ccccc1)/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000809144180 1317774052 /nfs/dbraw/zinc/77/40/52/1317774052.db2.gz GKQXYOQDDLGESL-AXLWCPOOSA-N 1 2 327.384 3.240 20 30 EGEDLO COc1cccc([C@H](C#N)NC(=O)c2c(C)cc(C)[nH+]c2C)c1OC ZINC000904110680 1317791482 /nfs/dbraw/zinc/79/14/82/1317791482.db2.gz FDHOBFHPZGQTJA-HNNXBMFYSA-N 1 2 339.395 3.019 20 30 EGEDLO Cn1c[nH+]cc1CNC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000809871783 1317911829 /nfs/dbraw/zinc/91/18/29/1317911829.db2.gz LWJDZKKHAHGILM-UHFFFAOYSA-N 1 2 336.420 3.203 20 30 EGEDLO N#Cc1ccc(F)c(COC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000810607206 1318031358 /nfs/dbraw/zinc/03/13/58/1318031358.db2.gz FTYJICIHTNRZBA-UHFFFAOYSA-N 1 2 349.365 3.228 20 30 EGEDLO CC(=NNC1=[NH+]C[C@H](C)N1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000811646630 1318219343 /nfs/dbraw/zinc/21/93/43/1318219343.db2.gz GHQDWZGMNFOLSR-NSHDSACASA-N 1 2 328.366 3.293 20 30 EGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccsc2C#N)CC1 ZINC000907410771 1318221852 /nfs/dbraw/zinc/22/18/52/1318221852.db2.gz KTXCEPJYZOLUFT-LBPRGKRZSA-N 1 2 331.466 3.200 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1CC[C@@H](Cc2ccccc2)C1=O ZINC000811732092 1318241802 /nfs/dbraw/zinc/24/18/02/1318241802.db2.gz MQOAINSSHAQHCJ-FQEVSTJZSA-N 1 2 333.435 3.039 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1CC[C@@H](Cc2ccccc2)C1=O ZINC000811732092 1318241808 /nfs/dbraw/zinc/24/18/08/1318241808.db2.gz MQOAINSSHAQHCJ-FQEVSTJZSA-N 1 2 333.435 3.039 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nocc1C ZINC000960647516 1318767903 /nfs/dbraw/zinc/76/79/03/1318767903.db2.gz JATYPVIIRBWVKD-CQSZACIVSA-N 1 2 339.867 3.185 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nocc1C ZINC000960647516 1318767912 /nfs/dbraw/zinc/76/79/12/1318767912.db2.gz JATYPVIIRBWVKD-CQSZACIVSA-N 1 2 339.867 3.185 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000911965255 1318787026 /nfs/dbraw/zinc/78/70/26/1318787026.db2.gz XHJPPEURGZABOV-INIZCTEOSA-N 1 2 325.478 3.152 20 30 EGEDLO CN(C)c1ncc(C=[NH+]Nc2ccnc3cc(Cl)ccc32)cn1 ZINC000814694102 1318800080 /nfs/dbraw/zinc/80/00/80/1318800080.db2.gz VTPLWWYHYQZLJA-UHFFFAOYSA-N 1 2 326.791 3.190 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)[C@H](C)c1nc(CC)no1 ZINC000960789863 1318893892 /nfs/dbraw/zinc/89/38/92/1318893892.db2.gz ZESUWFHYVLAKGV-CABCVRRESA-N 1 2 348.491 3.218 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)[C@H](C)c1nc(CC)no1 ZINC000960789863 1318893900 /nfs/dbraw/zinc/89/39/00/1318893900.db2.gz ZESUWFHYVLAKGV-CABCVRRESA-N 1 2 348.491 3.218 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2cscn2)CC1 ZINC000960832254 1318961313 /nfs/dbraw/zinc/96/13/13/1318961313.db2.gz NIGCOESRGTWDRB-KRWDZBQOSA-N 1 2 333.501 3.312 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2cscn2)CC1 ZINC000960832254 1318961320 /nfs/dbraw/zinc/96/13/20/1318961320.db2.gz NIGCOESRGTWDRB-KRWDZBQOSA-N 1 2 333.501 3.312 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)[C@@H](C)c2ncccn2)CC1 ZINC000960835440 1318964351 /nfs/dbraw/zinc/96/43/51/1318964351.db2.gz ZFFFPGSJLMHPGA-FUHWJXTLSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)[C@@H](C)c2ncccn2)CC1 ZINC000960835440 1318964356 /nfs/dbraw/zinc/96/43/56/1318964356.db2.gz ZFFFPGSJLMHPGA-FUHWJXTLSA-N 1 2 342.487 3.207 20 30 EGEDLO C=CCC[C@H](CC)Nc1ccc(N2CCN(C(=O)OC)CC2)[nH+]c1 ZINC000815656179 1319039133 /nfs/dbraw/zinc/03/91/33/1319039133.db2.gz NDBKTXSENGWVGK-HNNXBMFYSA-N 1 2 332.448 3.127 20 30 EGEDLO CCN(CC)c1ccc(C=[NH+]Nc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000914834407 1319387025 /nfs/dbraw/zinc/38/70/25/1319387025.db2.gz DTJCRDPIGWWXCI-UHFFFAOYSA-N 1 2 345.468 3.382 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cncc(C(=O)OC)c1 ZINC000930461123 1328862483 /nfs/dbraw/zinc/86/24/83/1328862483.db2.gz UOZSETWMDNNOEO-UHFFFAOYSA-N 1 2 342.443 3.224 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cncc(C(=O)OC)c1 ZINC000930461123 1328862490 /nfs/dbraw/zinc/86/24/90/1328862490.db2.gz UOZSETWMDNNOEO-UHFFFAOYSA-N 1 2 342.443 3.224 20 30 EGEDLO Cc1nsc(N2CC[NH+](CC[C@@H]3CC3(Cl)Cl)CC2)c1C#N ZINC000823157519 1320158545 /nfs/dbraw/zinc/15/85/45/1320158545.db2.gz TXYKFXUHIZSFLN-LLVKDONJSA-N 1 2 345.299 3.029 20 30 EGEDLO CCCCOc1ccccc1C[NH+]1CCC(C#N)(C(=O)OC)CC1 ZINC000824871431 1320293457 /nfs/dbraw/zinc/29/34/57/1320293457.db2.gz GPGJGNJRNCGJLK-UHFFFAOYSA-N 1 2 330.428 3.144 20 30 EGEDLO C#CCCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000858971394 1328901759 /nfs/dbraw/zinc/90/17/59/1328901759.db2.gz ARTPHDPXEWMJFW-HNNXBMFYSA-N 1 2 338.810 3.193 20 30 EGEDLO C#CCCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000858971394 1328901764 /nfs/dbraw/zinc/90/17/64/1328901764.db2.gz ARTPHDPXEWMJFW-HNNXBMFYSA-N 1 2 338.810 3.193 20 30 EGEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)NCc1cccs1 ZINC000839470366 1320926782 /nfs/dbraw/zinc/92/67/82/1320926782.db2.gz NQZYYOCYYCJTIA-AWEZNQCLSA-N 1 2 330.428 3.027 20 30 EGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)NCc1cccs1 ZINC000839470366 1320926786 /nfs/dbraw/zinc/92/67/86/1320926786.db2.gz NQZYYOCYYCJTIA-AWEZNQCLSA-N 1 2 330.428 3.027 20 30 EGEDLO C=CCCC(=O)Nc1ccc(COC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000844484550 1321611790 /nfs/dbraw/zinc/61/17/90/1321611790.db2.gz UTUNAWPWYVTXPX-HNNXBMFYSA-N 1 2 341.411 3.482 20 30 EGEDLO C#C[C@H](CC)Oc1ccc(COC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000845533713 1321717161 /nfs/dbraw/zinc/71/71/61/1321717161.db2.gz ZSOHVEHKPSNJQD-NVXWUHKLSA-N 1 2 326.396 3.368 20 30 EGEDLO C[N@H+](CCOc1ccccc1C#N)Cc1ccn(-c2ccccc2)n1 ZINC000918739762 1321988420 /nfs/dbraw/zinc/98/84/20/1321988420.db2.gz TVPYMARCULTCEB-UHFFFAOYSA-N 1 2 332.407 3.255 20 30 EGEDLO C[N@@H+](CCOc1ccccc1C#N)Cc1ccn(-c2ccccc2)n1 ZINC000918739762 1321988428 /nfs/dbraw/zinc/98/84/28/1321988428.db2.gz TVPYMARCULTCEB-UHFFFAOYSA-N 1 2 332.407 3.255 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2CCC[C@H]2CCc2ccccc2)c1=S ZINC000919944046 1322119977 /nfs/dbraw/zinc/11/99/77/1322119977.db2.gz PORMHVWEPHIREA-INIZCTEOSA-N 1 2 329.473 3.050 20 30 EGEDLO C=CCn1nnn(C[N@H+]2CCC[C@H]2CCc2ccccc2)c1=S ZINC000919944046 1322119984 /nfs/dbraw/zinc/11/99/84/1322119984.db2.gz PORMHVWEPHIREA-INIZCTEOSA-N 1 2 329.473 3.050 20 30 EGEDLO C#CCN(C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)C(C)C ZINC000922649985 1322579863 /nfs/dbraw/zinc/57/98/63/1322579863.db2.gz KAPTYQXCBRBYDV-UHFFFAOYSA-N 1 2 330.819 3.079 20 30 EGEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2ccc3c(c2)CCCO3)s1 ZINC000853010711 1323260543 /nfs/dbraw/zinc/26/05/43/1323260543.db2.gz KGQGQABABUHSEA-SOFGYWHQSA-N 1 2 328.437 3.426 20 30 EGEDLO O=C(NC[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1)c1cccs1 ZINC001024315900 1323300435 /nfs/dbraw/zinc/30/04/35/1323300435.db2.gz DDDMENQIHFAHDC-SFHVURJKSA-N 1 2 338.476 3.384 20 30 EGEDLO O=C(NC[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1)c1cccs1 ZINC001024315900 1323300439 /nfs/dbraw/zinc/30/04/39/1323300439.db2.gz DDDMENQIHFAHDC-SFHVURJKSA-N 1 2 338.476 3.384 20 30 EGEDLO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1snc(Cl)c1Cl ZINC001024458843 1323415399 /nfs/dbraw/zinc/41/53/99/1323415399.db2.gz KUHYZMXMVJZJJT-JTQLQIEISA-N 1 2 346.283 3.058 20 30 EGEDLO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1snc(Cl)c1Cl ZINC001024458843 1323415404 /nfs/dbraw/zinc/41/54/04/1323415404.db2.gz KUHYZMXMVJZJJT-JTQLQIEISA-N 1 2 346.283 3.058 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2nc(C)oc2c1 ZINC001024491949 1323443643 /nfs/dbraw/zinc/44/36/43/1323443643.db2.gz IGZZOZZVVXSWHI-OAHLLOKOSA-N 1 2 347.846 3.473 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2nc(C)oc2c1 ZINC001024491949 1323443656 /nfs/dbraw/zinc/44/36/56/1323443656.db2.gz IGZZOZZVVXSWHI-OAHLLOKOSA-N 1 2 347.846 3.473 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cc(C)on2)CC1 ZINC001024634178 1323559952 /nfs/dbraw/zinc/55/99/52/1323559952.db2.gz SCCZZQTUCKBQLG-SFHVURJKSA-N 1 2 331.460 3.200 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cc(C)on2)CC1 ZINC001024634178 1323559957 /nfs/dbraw/zinc/55/99/57/1323559957.db2.gz SCCZZQTUCKBQLG-SFHVURJKSA-N 1 2 331.460 3.200 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(OCC)c1 ZINC001024682781 1323596738 /nfs/dbraw/zinc/59/67/38/1323596738.db2.gz KQAAKUATORLRFT-INIZCTEOSA-N 1 2 336.863 3.422 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(OCC)c1 ZINC001024682781 1323596743 /nfs/dbraw/zinc/59/67/43/1323596743.db2.gz KQAAKUATORLRFT-INIZCTEOSA-N 1 2 336.863 3.422 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2[nH]c(C)nc2c1 ZINC001024734340 1323635779 /nfs/dbraw/zinc/63/57/79/1323635779.db2.gz WHDKDDOAAUCWOW-OAHLLOKOSA-N 1 2 346.862 3.208 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2[nH]c(C)nc2c1 ZINC001024734340 1323635788 /nfs/dbraw/zinc/63/57/88/1323635788.db2.gz WHDKDDOAAUCWOW-OAHLLOKOSA-N 1 2 346.862 3.208 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(N(C)C)cc1 ZINC001024780639 1323682609 /nfs/dbraw/zinc/68/26/09/1323682609.db2.gz ZSDFPUVFIHLUSC-QGZVFWFLSA-N 1 2 335.879 3.089 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(N(C)C)cc1 ZINC001024780639 1323682611 /nfs/dbraw/zinc/68/26/11/1323682611.db2.gz ZSDFPUVFIHLUSC-QGZVFWFLSA-N 1 2 335.879 3.089 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001024781729 1323685689 /nfs/dbraw/zinc/68/56/89/1323685689.db2.gz CJDFDFSLDQEDEE-INIZCTEOSA-N 1 2 333.863 3.296 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001024781729 1323685694 /nfs/dbraw/zinc/68/56/94/1323685694.db2.gz CJDFDFSLDQEDEE-INIZCTEOSA-N 1 2 333.863 3.296 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCCC[C@H]2C[NH2+]Cc2nnc(C(C)C)o2)C1 ZINC001025074521 1323876701 /nfs/dbraw/zinc/87/67/01/1323876701.db2.gz NHZYDTRJYLGSGW-HNNXBMFYSA-N 1 2 346.475 3.020 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](O)COc1cccc(C)c1 ZINC000853230154 1325067637 /nfs/dbraw/zinc/06/76/37/1325067637.db2.gz AWIHHEYGGBVJQK-KRWDZBQOSA-N 1 2 340.423 3.034 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 ZINC001027289964 1325423324 /nfs/dbraw/zinc/42/33/24/1325423324.db2.gz MLCXIFBJZDFMCI-LSDHHAIUSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 ZINC001027289964 1325423327 /nfs/dbraw/zinc/42/33/27/1325423327.db2.gz MLCXIFBJZDFMCI-LSDHHAIUSA-N 1 2 341.293 3.174 20 30 EGEDLO C[C@H]1CC[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cccs1 ZINC000964831862 1327717805 /nfs/dbraw/zinc/71/78/05/1327717805.db2.gz AGWQZBPPBBFZCB-FUHWJXTLSA-N 1 2 338.476 3.240 20 30 EGEDLO C[C@H]1CC[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cccs1 ZINC000964831862 1327717810 /nfs/dbraw/zinc/71/78/10/1327717810.db2.gz AGWQZBPPBBFZCB-FUHWJXTLSA-N 1 2 338.476 3.240 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@]2(C)C=CCC2)C1 ZINC001027531668 1327816468 /nfs/dbraw/zinc/81/64/68/1327816468.db2.gz OVUUAQYSFLUBDF-ZBFHGGJFSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@]2(C)C=CCC2)C1 ZINC001027531668 1327816474 /nfs/dbraw/zinc/81/64/74/1327816474.db2.gz OVUUAQYSFLUBDF-ZBFHGGJFSA-N 1 2 341.293 3.174 20 30 EGEDLO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1)c1ccco1 ZINC001027718928 1328133756 /nfs/dbraw/zinc/13/37/56/1328133756.db2.gz BQBSYQAQWQBIQE-KRWDZBQOSA-N 1 2 342.826 3.179 20 30 EGEDLO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1)c1ccco1 ZINC001027718928 1328133760 /nfs/dbraw/zinc/13/37/60/1328133760.db2.gz BQBSYQAQWQBIQE-KRWDZBQOSA-N 1 2 342.826 3.179 20 30 EGEDLO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1Cl)C1CC=CC1 ZINC001027800992 1328239034 /nfs/dbraw/zinc/23/90/34/1328239034.db2.gz KTUAEJUEHHYTJS-SFHVURJKSA-N 1 2 342.870 3.238 20 30 EGEDLO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl)C1CC=CC1 ZINC001027800992 1328239039 /nfs/dbraw/zinc/23/90/39/1328239039.db2.gz KTUAEJUEHHYTJS-SFHVURJKSA-N 1 2 342.870 3.238 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001027811292 1328257181 /nfs/dbraw/zinc/25/71/81/1328257181.db2.gz DQZXQMDNGDONCB-GFCCVEGCSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001027811292 1328257179 /nfs/dbraw/zinc/25/71/79/1328257179.db2.gz DQZXQMDNGDONCB-GFCCVEGCSA-N 1 2 343.309 3.158 20 30 EGEDLO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1Cl)C1=CCCC1 ZINC001027823415 1328280837 /nfs/dbraw/zinc/28/08/37/1328280837.db2.gz QGWQNAWJDBVTDE-GOSISDBHSA-N 1 2 342.870 3.382 20 30 EGEDLO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl)C1=CCCC1 ZINC001027823415 1328280839 /nfs/dbraw/zinc/28/08/39/1328280839.db2.gz QGWQNAWJDBVTDE-GOSISDBHSA-N 1 2 342.870 3.382 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC000966637739 1328364289 /nfs/dbraw/zinc/36/42/89/1328364289.db2.gz YJFSYGVGVPGXRT-KDOFPFPSSA-N 1 2 345.874 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC000966637739 1328364295 /nfs/dbraw/zinc/36/42/95/1328364295.db2.gz YJFSYGVGVPGXRT-KDOFPFPSSA-N 1 2 345.874 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1nsc2ccccc21 ZINC001027903077 1328372734 /nfs/dbraw/zinc/37/27/34/1328372734.db2.gz ASBBKOZBWVESRW-LBPRGKRZSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1nsc2ccccc21 ZINC001027903077 1328372739 /nfs/dbraw/zinc/37/27/39/1328372739.db2.gz ASBBKOZBWVESRW-LBPRGKRZSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2nccc3ccsc32)C1 ZINC000966839635 1328435028 /nfs/dbraw/zinc/43/50/28/1328435028.db2.gz DGBQXHCMJLHIOA-BXUZGUMPSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2nccc3ccsc32)C1 ZINC000966839635 1328435033 /nfs/dbraw/zinc/43/50/33/1328435033.db2.gz DGBQXHCMJLHIOA-BXUZGUMPSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc2ccc(C)cc2[nH]1 ZINC001028054620 1328520589 /nfs/dbraw/zinc/52/05/89/1328520589.db2.gz ZXVXVCDOPGFLOH-HNNXBMFYSA-N 1 2 331.847 3.423 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc2ccc(C)cc2[nH]1 ZINC001028054620 1328520594 /nfs/dbraw/zinc/52/05/94/1328520594.db2.gz ZXVXVCDOPGFLOH-HNNXBMFYSA-N 1 2 331.847 3.423 20 30 EGEDLO CC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001049855054 1348062526 /nfs/dbraw/zinc/06/25/26/1348062526.db2.gz AOQHCVUVEWTNTR-ROUUACIJSA-N 1 2 343.446 3.309 20 30 EGEDLO CC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001049855054 1348062528 /nfs/dbraw/zinc/06/25/28/1348062528.db2.gz AOQHCVUVEWTNTR-ROUUACIJSA-N 1 2 343.446 3.309 20 30 EGEDLO N#Cc1ccsc1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000931845733 1329765880 /nfs/dbraw/zinc/76/58/80/1329765880.db2.gz LVUBIMBCJRFHKC-UHFFFAOYSA-N 1 2 332.454 3.031 20 30 EGEDLO Cc1cc(NCC[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)nc(C(C)C)[nH+]1 ZINC001063266243 1351784299 /nfs/dbraw/zinc/78/42/99/1351784299.db2.gz WVWZWCDTWADYHR-GDBMZVCRSA-N 1 2 343.475 3.109 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)C2CCC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC000946972069 1332949442 /nfs/dbraw/zinc/94/94/42/1332949442.db2.gz VXFOPYWOUOFIPV-MAUKXSAKSA-N 1 2 344.886 3.461 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)C2CCC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC000946972069 1332949443 /nfs/dbraw/zinc/94/94/43/1332949443.db2.gz VXFOPYWOUOFIPV-MAUKXSAKSA-N 1 2 344.886 3.461 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)CC2CC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC000946984865 1332955782 /nfs/dbraw/zinc/95/57/82/1332955782.db2.gz DMZBISYOJRSKAN-CRAIPNDOSA-N 1 2 344.886 3.461 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)CC2CC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC000946984865 1332955784 /nfs/dbraw/zinc/95/57/84/1332955784.db2.gz DMZBISYOJRSKAN-CRAIPNDOSA-N 1 2 344.886 3.461 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cccs2)C[C@@H]1C ZINC000947018170 1332975603 /nfs/dbraw/zinc/97/56/03/1332975603.db2.gz UNAOLYKFAVLTGW-RYUDHWBXSA-N 1 2 343.290 3.239 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cccs2)C[C@@H]1C ZINC000947018170 1332975607 /nfs/dbraw/zinc/97/56/07/1332975607.db2.gz UNAOLYKFAVLTGW-RYUDHWBXSA-N 1 2 343.290 3.239 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2(C3CC3)CC2)C[C@@H]1C ZINC000947425343 1333122315 /nfs/dbraw/zinc/12/23/15/1333122315.db2.gz IKSYINAEDLWCAA-JSGCOSHPSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2(C3CC3)CC2)C[C@@H]1C ZINC000947425343 1333122312 /nfs/dbraw/zinc/12/23/12/1333122312.db2.gz IKSYINAEDLWCAA-JSGCOSHPSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C2(C)CC(=C)C2)C[C@H]1C ZINC000947702332 1333231522 /nfs/dbraw/zinc/23/15/22/1333231522.db2.gz MNHFJJXAADUVJM-ZIAGYGMSSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CC(=C)C2)C[C@H]1C ZINC000947702332 1333231524 /nfs/dbraw/zinc/23/15/24/1333231524.db2.gz MNHFJJXAADUVJM-ZIAGYGMSSA-N 1 2 341.293 3.220 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1nc(Cl)cs1 ZINC000948950843 1333744811 /nfs/dbraw/zinc/74/48/11/1333744811.db2.gz OOQSXXQNSNMZQU-AWEZNQCLSA-N 1 2 347.871 3.312 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1nc(Cl)cs1 ZINC000948950843 1333744813 /nfs/dbraw/zinc/74/48/13/1333744813.db2.gz OOQSXXQNSNMZQU-AWEZNQCLSA-N 1 2 347.871 3.312 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cccc(OCC)c1 ZINC000948965433 1333749760 /nfs/dbraw/zinc/74/97/60/1333749760.db2.gz LKEZSPYGIBWFAR-OAQYLSRUSA-N 1 2 348.446 3.048 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cccc(OCC)c1 ZINC000948965433 1333749763 /nfs/dbraw/zinc/74/97/63/1333749763.db2.gz LKEZSPYGIBWFAR-OAQYLSRUSA-N 1 2 348.446 3.048 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cccc(OCC)c1 ZINC000948965430 1333750232 /nfs/dbraw/zinc/75/02/32/1333750232.db2.gz LKEZSPYGIBWFAR-NRFANRHFSA-N 1 2 348.446 3.048 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cccc(OCC)c1 ZINC000948965430 1333750233 /nfs/dbraw/zinc/75/02/33/1333750233.db2.gz LKEZSPYGIBWFAR-NRFANRHFSA-N 1 2 348.446 3.048 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1sccc1OC ZINC000948978017 1333754315 /nfs/dbraw/zinc/75/43/15/1333754315.db2.gz GPOXJJZUHYVNSJ-INIZCTEOSA-N 1 2 342.464 3.272 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1sccc1OC ZINC000948978017 1333754317 /nfs/dbraw/zinc/75/43/17/1333754317.db2.gz GPOXJJZUHYVNSJ-INIZCTEOSA-N 1 2 342.464 3.272 20 30 EGEDLO C=C1CCC(C(=O)N2CC[NH+](CC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000950046992 1334001370 /nfs/dbraw/zinc/00/13/70/1334001370.db2.gz NJLUUQBXWFFSAX-HNNXBMFYSA-N 1 2 345.314 3.461 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(F)cc3ccncc32)C1 ZINC000950343551 1334045633 /nfs/dbraw/zinc/04/56/33/1334045633.db2.gz RUZSWXZHLAKGOJ-UHFFFAOYSA-N 1 2 327.403 3.096 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[NH+](CCO[C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000950373158 1334053165 /nfs/dbraw/zinc/05/31/65/1334053165.db2.gz IWRDWZLWECBTKX-ROUUACIJSA-N 1 2 334.504 3.082 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)C1 ZINC000950969918 1334162619 /nfs/dbraw/zinc/16/26/19/1334162619.db2.gz HJRCRGSSPBMARM-RTBURBONSA-N 1 2 330.447 3.428 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001063539374 1351908389 /nfs/dbraw/zinc/90/83/89/1351908389.db2.gz RRXIFSDTOOWHKZ-OAHLLOKOSA-N 1 2 328.460 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC000967274668 1335683802 /nfs/dbraw/zinc/68/38/02/1335683802.db2.gz RMKRTXZFXAVJNS-PXAZEXFGSA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC000967274668 1335683804 /nfs/dbraw/zinc/68/38/04/1335683804.db2.gz RMKRTXZFXAVJNS-PXAZEXFGSA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC000967339573 1335706797 /nfs/dbraw/zinc/70/67/97/1335706797.db2.gz STNCEKYAXXLJQK-GTNSWQLSSA-N 1 2 346.862 3.064 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC000967339573 1335706799 /nfs/dbraw/zinc/70/67/99/1335706799.db2.gz STNCEKYAXXLJQK-GTNSWQLSSA-N 1 2 346.862 3.064 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc3ccccc3n2C)C1 ZINC000968077598 1335854073 /nfs/dbraw/zinc/85/40/73/1335854073.db2.gz IOEPVVQEHQRULX-XJKSGUPXSA-N 1 2 345.874 3.371 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc3ccccc3n2C)C1 ZINC000968077598 1335854075 /nfs/dbraw/zinc/85/40/75/1335854075.db2.gz IOEPVVQEHQRULX-XJKSGUPXSA-N 1 2 345.874 3.371 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C(C)C)cn2)C1 ZINC000968332183 1335892130 /nfs/dbraw/zinc/89/21/30/1335892130.db2.gz VDYCDOJEYPAXBO-CXAGYDPISA-N 1 2 335.879 3.398 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C(C)C)cn2)C1 ZINC000968332183 1335892131 /nfs/dbraw/zinc/89/21/31/1335892131.db2.gz VDYCDOJEYPAXBO-CXAGYDPISA-N 1 2 335.879 3.398 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(F)c(OC)c2)C1 ZINC000968345190 1335895441 /nfs/dbraw/zinc/89/54/41/1335895441.db2.gz IQJVYAACJCICOK-XHDPSFHLSA-N 1 2 340.826 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(F)c(OC)c2)C1 ZINC000968345190 1335895445 /nfs/dbraw/zinc/89/54/45/1335895445.db2.gz IQJVYAACJCICOK-XHDPSFHLSA-N 1 2 340.826 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3cnccc3c2)C1 ZINC000968513751 1335948778 /nfs/dbraw/zinc/94/87/78/1335948778.db2.gz PPIYEWVCKXFRGT-SCLBCKFNSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3cnccc3c2)C1 ZINC000968513751 1335948781 /nfs/dbraw/zinc/94/87/81/1335948781.db2.gz PPIYEWVCKXFRGT-SCLBCKFNSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2ccc3c(c2)CCC3)C1 ZINC000968638573 1335991737 /nfs/dbraw/zinc/99/17/37/1335991737.db2.gz ABECULVKQVWWHP-IFXJQAMLSA-N 1 2 346.902 3.297 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2ccc3c(c2)CCC3)C1 ZINC000968638573 1335991741 /nfs/dbraw/zinc/99/17/41/1335991741.db2.gz ABECULVKQVWWHP-IFXJQAMLSA-N 1 2 346.902 3.297 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1coc(C2CC2)n1 ZINC000969061552 1336134330 /nfs/dbraw/zinc/13/43/30/1336134330.db2.gz BNBJZEONRKADEF-CQSZACIVSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1coc(C2CC2)n1 ZINC000969061552 1336134332 /nfs/dbraw/zinc/13/43/32/1336134332.db2.gz BNBJZEONRKADEF-CQSZACIVSA-N 1 2 337.851 3.279 20 30 EGEDLO Cc1cc(C(=O)N[C@H](C)C2C[NH+](Cc3ccccc3C#N)C2)oc1C ZINC000969502071 1336219107 /nfs/dbraw/zinc/21/91/07/1336219107.db2.gz AKUMWNRYRJFAAC-CQSZACIVSA-N 1 2 337.423 3.018 20 30 EGEDLO Cc1sccc1C(=O)N[C@H](C)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969623268 1336229938 /nfs/dbraw/zinc/22/99/38/1336229938.db2.gz GYZRCEQKBHUNGN-CYBMUJFWSA-N 1 2 339.464 3.179 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccnc3ccccc32)C1 ZINC000970094157 1336279675 /nfs/dbraw/zinc/27/96/75/1336279675.db2.gz SSXRUPBRPVBSBH-CYBMUJFWSA-N 1 2 329.831 3.037 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2nsc3ccc(C)cc32)C1 ZINC000970271653 1336292307 /nfs/dbraw/zinc/29/23/07/1336292307.db2.gz VADFQTCKUREXAS-LBPRGKRZSA-N 1 2 349.887 3.407 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(F)c(Cl)cc2F)C1 ZINC000970347860 1336296132 /nfs/dbraw/zinc/29/61/32/1336296132.db2.gz DMNPDWCPIFTIJO-SECBINFHSA-N 1 2 349.208 3.421 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2c(C)cccc2Cl)C1 ZINC000970374783 1336299539 /nfs/dbraw/zinc/29/95/39/1336299539.db2.gz WOPUEDLEDUWHRM-GFCCVEGCSA-N 1 2 327.255 3.451 20 30 EGEDLO Cc1cc(C(=O)N[C@H](C)C2C[NH+](Cc3ccccc3C#N)C2)cs1 ZINC000970588903 1336324674 /nfs/dbraw/zinc/32/46/74/1336324674.db2.gz ILURXUTWBOMSSA-CQSZACIVSA-N 1 2 339.464 3.179 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cccc3ccncc32)C1 ZINC000970671990 1336331888 /nfs/dbraw/zinc/33/18/88/1336331888.db2.gz AXZLGOXUSAHWTF-CYBMUJFWSA-N 1 2 329.831 3.037 20 30 EGEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)C1CCC1 ZINC001006525742 1336520269 /nfs/dbraw/zinc/52/02/69/1336520269.db2.gz BNHZFSMENMMDQE-SFHVURJKSA-N 1 2 330.859 3.072 20 30 EGEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)C1CCC1 ZINC001006525742 1336520270 /nfs/dbraw/zinc/52/02/70/1336520270.db2.gz BNHZFSMENMMDQE-SFHVURJKSA-N 1 2 330.859 3.072 20 30 EGEDLO C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1)C1CCC1 ZINC001007594012 1336673298 /nfs/dbraw/zinc/67/32/98/1336673298.db2.gz GPVHJUTVKYGVGK-KSSFIOAISA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1)C1CCC1 ZINC001007594012 1336673301 /nfs/dbraw/zinc/67/33/01/1336673301.db2.gz GPVHJUTVKYGVGK-KSSFIOAISA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2cccc(Cl)c2)C1 ZINC001008374086 1336837432 /nfs/dbraw/zinc/83/74/32/1336837432.db2.gz BSKMFDUWDVSDOI-HNNXBMFYSA-N 1 2 327.255 3.216 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2cccc(Cl)c2)C1 ZINC001008374086 1336837433 /nfs/dbraw/zinc/83/74/33/1336837433.db2.gz BSKMFDUWDVSDOI-HNNXBMFYSA-N 1 2 327.255 3.216 20 30 EGEDLO CC1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(C#N)ccc3F)C2)CC=CC1 ZINC001008432458 1336851923 /nfs/dbraw/zinc/85/19/23/1336851923.db2.gz ZWNSKDMYPILPMB-KRWDZBQOSA-N 1 2 341.430 3.134 20 30 EGEDLO CC1(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)CC=CC1 ZINC001008432458 1336851925 /nfs/dbraw/zinc/85/19/25/1336851925.db2.gz ZWNSKDMYPILPMB-KRWDZBQOSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3nc(C)c(C)s3)C2)C1 ZINC001008438252 1336853108 /nfs/dbraw/zinc/85/31/08/1336853108.db2.gz VDZUKTYAXFPMFU-OAHLLOKOSA-N 1 2 333.501 3.197 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3nc(C)c(C)s3)C2)C1 ZINC001008438252 1336853113 /nfs/dbraw/zinc/85/31/13/1336853113.db2.gz VDZUKTYAXFPMFU-OAHLLOKOSA-N 1 2 333.501 3.197 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001008459100 1336860789 /nfs/dbraw/zinc/86/07/89/1336860789.db2.gz ORCMQUPWDKCEDM-KBAYOESNSA-N 1 2 343.446 3.214 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001008459100 1336860790 /nfs/dbraw/zinc/86/07/90/1336860790.db2.gz ORCMQUPWDKCEDM-KBAYOESNSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N3CC=CC3)cc2)C1 ZINC001008518370 1336875145 /nfs/dbraw/zinc/87/51/45/1336875145.db2.gz OPQLWVCBDJLLOF-QGZVFWFLSA-N 1 2 345.874 3.010 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(N3CC=CC3)cc2)C1 ZINC001008518370 1336875147 /nfs/dbraw/zinc/87/51/47/1336875147.db2.gz OPQLWVCBDJLLOF-QGZVFWFLSA-N 1 2 345.874 3.010 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001008585783 1336888611 /nfs/dbraw/zinc/88/86/11/1336888611.db2.gz FLMLOJJRSXIPPQ-NZSAHSFTSA-N 1 2 344.886 3.318 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001008585783 1336888614 /nfs/dbraw/zinc/88/86/14/1336888614.db2.gz FLMLOJJRSXIPPQ-NZSAHSFTSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC001008653211 1336903478 /nfs/dbraw/zinc/90/34/78/1336903478.db2.gz PCHJVECTNBOWLZ-ZDUSSCGKSA-N 1 2 345.245 3.355 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC001008653211 1336903480 /nfs/dbraw/zinc/90/34/80/1336903480.db2.gz PCHJVECTNBOWLZ-ZDUSSCGKSA-N 1 2 345.245 3.355 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC001008825962 1336931054 /nfs/dbraw/zinc/93/10/54/1336931054.db2.gz RQCARLYBGAASCK-RRFJBIMHSA-N 1 2 338.904 3.493 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC001008825962 1336931056 /nfs/dbraw/zinc/93/10/56/1336931056.db2.gz RQCARLYBGAASCK-RRFJBIMHSA-N 1 2 338.904 3.493 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC001008837516 1336933066 /nfs/dbraw/zinc/93/30/66/1336933066.db2.gz CCINBKUIYRXBJE-KSZLIROESA-N 1 2 348.874 3.097 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC001008837516 1336933070 /nfs/dbraw/zinc/93/30/70/1336933070.db2.gz CCINBKUIYRXBJE-KSZLIROESA-N 1 2 348.874 3.097 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3cccnc3c2)C1 ZINC001008914668 1336942158 /nfs/dbraw/zinc/94/21/58/1336942158.db2.gz QRTODHJZMAFXFU-INIZCTEOSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc3cccnc3c2)C1 ZINC001008914668 1336942175 /nfs/dbraw/zinc/94/21/75/1336942175.db2.gz QRTODHJZMAFXFU-INIZCTEOSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001008927529 1336944210 /nfs/dbraw/zinc/94/42/10/1336944210.db2.gz SOYIMBNTAREFRF-DLBZAZTESA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001008927529 1336944212 /nfs/dbraw/zinc/94/42/12/1336944212.db2.gz SOYIMBNTAREFRF-DLBZAZTESA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC3(CCC3)CO2)C1 ZINC001009295666 1336999932 /nfs/dbraw/zinc/99/99/32/1336999932.db2.gz LOAHEBJMSJXVQG-CVEARBPZSA-N 1 2 340.895 3.059 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC3(CCC3)CO2)C1 ZINC001009295666 1336999935 /nfs/dbraw/zinc/99/99/35/1336999935.db2.gz LOAHEBJMSJXVQG-CVEARBPZSA-N 1 2 340.895 3.059 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001009681084 1337059240 /nfs/dbraw/zinc/05/92/40/1337059240.db2.gz KHYOWANLBBEZTK-IUODEOHRSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001009681084 1337059244 /nfs/dbraw/zinc/05/92/44/1337059244.db2.gz KHYOWANLBBEZTK-IUODEOHRSA-N 1 2 339.266 3.313 20 30 EGEDLO Cc1csc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)c1 ZINC001014373521 1337756922 /nfs/dbraw/zinc/75/69/22/1337756922.db2.gz CSUQPFNLMDVYDK-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1csc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)c1 ZINC001014373521 1337756926 /nfs/dbraw/zinc/75/69/26/1337756926.db2.gz CSUQPFNLMDVYDK-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1F ZINC001014536413 1337812911 /nfs/dbraw/zinc/81/29/11/1337812911.db2.gz ZUWIUYBKQSRZHA-QGZVFWFLSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1F ZINC001014536413 1337812915 /nfs/dbraw/zinc/81/29/15/1337812915.db2.gz ZUWIUYBKQSRZHA-QGZVFWFLSA-N 1 2 337.398 3.010 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cccc3)c2)C1 ZINC001015140174 1338029922 /nfs/dbraw/zinc/02/99/22/1338029922.db2.gz QKAVXUGSCHMGBT-INIZCTEOSA-N 1 2 329.831 3.034 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cccc3)c2)C1 ZINC001015140174 1338029925 /nfs/dbraw/zinc/02/99/25/1338029925.db2.gz QKAVXUGSCHMGBT-INIZCTEOSA-N 1 2 329.831 3.034 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1F ZINC001015166402 1338039694 /nfs/dbraw/zinc/03/96/94/1338039694.db2.gz JVBDTSMWOIMKHY-SFHVURJKSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cc1F ZINC001015166402 1338039696 /nfs/dbraw/zinc/03/96/96/1338039696.db2.gz JVBDTSMWOIMKHY-SFHVURJKSA-N 1 2 337.398 3.010 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001015359811 1338111485 /nfs/dbraw/zinc/11/14/85/1338111485.db2.gz GMKBFFWESPFBCU-CLWJZODNSA-N 1 2 337.467 3.075 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001015359811 1338111489 /nfs/dbraw/zinc/11/14/89/1338111489.db2.gz GMKBFFWESPFBCU-CLWJZODNSA-N 1 2 337.467 3.075 20 30 EGEDLO CC(C)c1ccoc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001015602152 1338203572 /nfs/dbraw/zinc/20/35/72/1338203572.db2.gz YORDRLZUKJLOQI-QGZVFWFLSA-N 1 2 337.423 3.279 20 30 EGEDLO CC(C)c1ccoc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001015602152 1338203574 /nfs/dbraw/zinc/20/35/74/1338203574.db2.gz YORDRLZUKJLOQI-QGZVFWFLSA-N 1 2 337.423 3.279 20 30 EGEDLO CC1(C)CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001015671306 1338247892 /nfs/dbraw/zinc/24/78/92/1338247892.db2.gz VTCNTNVUZVKALF-RDJZCZTQSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001015671306 1338247897 /nfs/dbraw/zinc/24/78/97/1338247897.db2.gz VTCNTNVUZVKALF-RDJZCZTQSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(F)F)c(F)c2)C1 ZINC001015699592 1338267034 /nfs/dbraw/zinc/26/70/34/1338267034.db2.gz QJKZULCWGJGIJG-NSHDSACASA-N 1 2 332.753 3.320 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(F)F)c(F)c2)C1 ZINC001015699592 1338267037 /nfs/dbraw/zinc/26/70/37/1338267037.db2.gz QJKZULCWGJGIJG-NSHDSACASA-N 1 2 332.753 3.320 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1)C1CCCC1 ZINC001015973625 1338386539 /nfs/dbraw/zinc/38/65/39/1338386539.db2.gz PNUUXKZAAJWOCU-KDOFPFPSSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1)C1CCCC1 ZINC001015973625 1338386544 /nfs/dbraw/zinc/38/65/44/1338386544.db2.gz PNUUXKZAAJWOCU-KDOFPFPSSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)n(CC3CC3)c2C)C1 ZINC001016009902 1338404772 /nfs/dbraw/zinc/40/47/72/1338404772.db2.gz OPWILXGUYDBYNQ-INIZCTEOSA-N 1 2 335.879 3.072 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)n(CC3CC3)c2C)C1 ZINC001016009902 1338404776 /nfs/dbraw/zinc/40/47/76/1338404776.db2.gz OPWILXGUYDBYNQ-INIZCTEOSA-N 1 2 335.879 3.072 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]cc2-c2ccccc2)C1 ZINC001016250632 1338524687 /nfs/dbraw/zinc/52/46/87/1338524687.db2.gz PSENNXQWDVQTGW-HNNXBMFYSA-N 1 2 329.831 3.238 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c[nH]cc2-c2ccccc2)C1 ZINC001016250632 1338524692 /nfs/dbraw/zinc/52/46/92/1338524692.db2.gz PSENNXQWDVQTGW-HNNXBMFYSA-N 1 2 329.831 3.238 20 30 EGEDLO CC1(C)CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001016375727 1338578588 /nfs/dbraw/zinc/57/85/88/1338578588.db2.gz YGEDRHTXSQSOIV-RBUKOAKNSA-N 1 2 339.483 3.465 20 30 EGEDLO CC1(C)CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001016375727 1338578593 /nfs/dbraw/zinc/57/85/93/1338578593.db2.gz YGEDRHTXSQSOIV-RBUKOAKNSA-N 1 2 339.483 3.465 20 30 EGEDLO CC(C)c1occc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001016378155 1338580690 /nfs/dbraw/zinc/58/06/90/1338580690.db2.gz NITQYECBJIAKLB-GOSISDBHSA-N 1 2 336.435 3.259 20 30 EGEDLO CC(C)c1occc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001016378155 1338580692 /nfs/dbraw/zinc/58/06/92/1338580692.db2.gz NITQYECBJIAKLB-GOSISDBHSA-N 1 2 336.435 3.259 20 30 EGEDLO CC1(C)C(C)(C)C1(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001016432669 1338599548 /nfs/dbraw/zinc/59/95/48/1338599548.db2.gz WLVYPTDNARUVQH-KRWDZBQOSA-N 1 2 339.483 3.321 20 30 EGEDLO CC1(C)C(C)(C)C1(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001016432669 1338599551 /nfs/dbraw/zinc/59/95/51/1338599551.db2.gz WLVYPTDNARUVQH-KRWDZBQOSA-N 1 2 339.483 3.321 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC=CCC2)c1 ZINC001017342891 1339330307 /nfs/dbraw/zinc/33/03/07/1339330307.db2.gz DVLISYUWMZOSOU-AQNXPRMDSA-N 1 2 335.451 3.090 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC=CCC2)c1 ZINC001017342891 1339330311 /nfs/dbraw/zinc/33/03/11/1339330311.db2.gz DVLISYUWMZOSOU-AQNXPRMDSA-N 1 2 335.451 3.090 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2(F)CCCC2)c1 ZINC001017689550 1339391631 /nfs/dbraw/zinc/39/16/31/1339391631.db2.gz QSLJRLHUEFZIIQ-HDICACEKSA-N 1 2 341.430 3.016 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2(F)CCCC2)c1 ZINC001017689550 1339391633 /nfs/dbraw/zinc/39/16/33/1339391633.db2.gz QSLJRLHUEFZIIQ-HDICACEKSA-N 1 2 341.430 3.016 20 30 EGEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(-c2ccoc2)s1 ZINC001018038158 1339488387 /nfs/dbraw/zinc/48/83/87/1339488387.db2.gz RFNPPVLGKKVPLM-GASCZTMLSA-N 1 2 343.452 3.268 20 30 EGEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(-c2ccoc2)s1 ZINC001018038158 1339488390 /nfs/dbraw/zinc/48/83/90/1339488390.db2.gz RFNPPVLGKKVPLM-GASCZTMLSA-N 1 2 343.452 3.268 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C2CC2)nc1C ZINC001028143373 1340450943 /nfs/dbraw/zinc/45/09/43/1340450943.db2.gz FICFJFNJVMKVGB-OAHLLOKOSA-N 1 2 333.863 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C2CC2)nc1C ZINC001028143373 1340450946 /nfs/dbraw/zinc/45/09/46/1340450946.db2.gz FICFJFNJVMKVGB-OAHLLOKOSA-N 1 2 333.863 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1sc(C)cc1OC ZINC001028181877 1340471977 /nfs/dbraw/zinc/47/19/77/1340471977.db2.gz ISZUPWUEMUDHBB-GFCCVEGCSA-N 1 2 328.865 3.012 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1sc(C)cc1OC ZINC001028181877 1340471979 /nfs/dbraw/zinc/47/19/79/1340471979.db2.gz ISZUPWUEMUDHBB-GFCCVEGCSA-N 1 2 328.865 3.012 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnn([C@H](C)CC)c1C ZINC001028253315 1340514389 /nfs/dbraw/zinc/51/43/89/1340514389.db2.gz UJWSTWZVTDZTLS-HIFRSBDPSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnn([C@H](C)CC)c1C ZINC001028253315 1340514394 /nfs/dbraw/zinc/51/43/94/1340514394.db2.gz UJWSTWZVTDZTLS-HIFRSBDPSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1OC(C)C ZINC001028276576 1340529235 /nfs/dbraw/zinc/52/92/35/1340529235.db2.gz KRLUQRPQQLVNPI-HNNXBMFYSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1OC(C)C ZINC001028276576 1340529237 /nfs/dbraw/zinc/52/92/37/1340529237.db2.gz KRLUQRPQQLVNPI-HNNXBMFYSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+](C/C(Cl)=C/Cl)C2)CC1 ZINC001028779947 1340811246 /nfs/dbraw/zinc/81/12/46/1340811246.db2.gz CDJMMWIZUHZHMR-ATDKOCKZSA-N 1 2 331.287 3.490 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+](C/C(Cl)=C/Cl)C2)CC1 ZINC001028779947 1340811251 /nfs/dbraw/zinc/81/12/51/1340811251.db2.gz CDJMMWIZUHZHMR-ATDKOCKZSA-N 1 2 331.287 3.490 20 30 EGEDLO C[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001029199326 1340953415 /nfs/dbraw/zinc/95/34/15/1340953415.db2.gz IFXCPGXFXXGQRZ-OAOYMFHYSA-N 1 2 342.870 3.023 20 30 EGEDLO C[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001029199326 1340953416 /nfs/dbraw/zinc/95/34/16/1340953416.db2.gz IFXCPGXFXXGQRZ-OAOYMFHYSA-N 1 2 342.870 3.023 20 30 EGEDLO CC[C@@]1(C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029537793 1341008105 /nfs/dbraw/zinc/00/81/05/1341008105.db2.gz PCBOCCGZCAYANS-AHMDFLBRSA-N 1 2 343.496 3.231 20 30 EGEDLO CC[C@@]1(C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029537793 1341008106 /nfs/dbraw/zinc/00/81/06/1341008106.db2.gz PCBOCCGZCAYANS-AHMDFLBRSA-N 1 2 343.496 3.231 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2csc(Cl)n2)C1 ZINC001029800959 1341077001 /nfs/dbraw/zinc/07/70/01/1341077001.db2.gz CZAWKQUWKJDHRO-LBPRGKRZSA-N 1 2 341.908 3.289 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2csc(Cl)n2)C1 ZINC001029800959 1341077003 /nfs/dbraw/zinc/07/70/03/1341077003.db2.gz CZAWKQUWKJDHRO-LBPRGKRZSA-N 1 2 341.908 3.289 20 30 EGEDLO CC(C)c1ccc([C@@H](C)[NH+]2CC(NC(=O)c3ccc(C#N)[nH]3)C2)cc1 ZINC001030225818 1341173201 /nfs/dbraw/zinc/17/32/01/1341173201.db2.gz HSRHWPYFGPWFTN-CQSZACIVSA-N 1 2 336.439 3.185 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](Cc2ccc(C(C)C)cc2)C1 ZINC001031088399 1341276450 /nfs/dbraw/zinc/27/64/50/1341276450.db2.gz UHXOCRCQZKYQPB-PMACEKPBSA-N 1 2 342.483 3.092 20 30 EGEDLO CCc1ccc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)s1 ZINC001031823835 1341406991 /nfs/dbraw/zinc/40/69/91/1341406991.db2.gz PFPPJEMWNAEOHA-UHFFFAOYSA-N 1 2 345.493 3.105 20 30 EGEDLO C[C@H]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031942024 1341428152 /nfs/dbraw/zinc/42/81/52/1341428152.db2.gz VBFHCXGTRYFBOF-KSSFIOAISA-N 1 2 343.446 3.072 20 30 EGEDLO Cc1ccc(C)c(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)c1 ZINC001032151529 1341464988 /nfs/dbraw/zinc/46/49/88/1341464988.db2.gz LBDLXPSCPZQJFD-UHFFFAOYSA-N 1 2 339.464 3.098 20 30 EGEDLO Cc1ccc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)c(C)c1 ZINC001032166220 1341467384 /nfs/dbraw/zinc/46/73/84/1341467384.db2.gz NGHSFQWVRCHNCQ-UHFFFAOYSA-N 1 2 333.435 3.037 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2c[nH]c3c2cccc3CC)C1 ZINC001032206602 1341472879 /nfs/dbraw/zinc/47/28/79/1341472879.db2.gz GBDCKLISTSKZIA-UHFFFAOYSA-N 1 2 331.847 3.144 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(OC)c(F)c1 ZINC001032606211 1341556506 /nfs/dbraw/zinc/55/65/06/1341556506.db2.gz PNIAJDNATBEYMI-TWOQFEAHSA-N 1 2 346.446 3.222 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(OC)c(F)c1 ZINC001032606211 1341556508 /nfs/dbraw/zinc/55/65/08/1341556508.db2.gz PNIAJDNATBEYMI-TWOQFEAHSA-N 1 2 346.446 3.222 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2Cl)C1 ZINC001032614358 1341559848 /nfs/dbraw/zinc/55/98/48/1341559848.db2.gz NPEDRUCWWWJYRC-HOTGVXAUSA-N 1 2 330.859 3.481 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2Cl)C1 ZINC001032614358 1341559849 /nfs/dbraw/zinc/55/98/49/1341559849.db2.gz NPEDRUCWWWJYRC-HOTGVXAUSA-N 1 2 330.859 3.481 20 30 EGEDLO Cc1cc(F)ccc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032745299 1341599511 /nfs/dbraw/zinc/59/95/11/1341599511.db2.gz VSGROWHBHFHBCG-OALUTQOASA-N 1 2 349.409 3.105 20 30 EGEDLO Cc1cc(F)ccc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032745299 1341599513 /nfs/dbraw/zinc/59/95/13/1341599513.db2.gz VSGROWHBHFHBCG-OALUTQOASA-N 1 2 349.409 3.105 20 30 EGEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(C)C)c(Cl)c1 ZINC001032811361 1341623448 /nfs/dbraw/zinc/62/34/48/1341623448.db2.gz YSGUUZSDGQHCLK-HOTGVXAUSA-N 1 2 330.859 3.385 20 30 EGEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(C)C)c(Cl)c1 ZINC001032811361 1341623449 /nfs/dbraw/zinc/62/34/49/1341623449.db2.gz YSGUUZSDGQHCLK-HOTGVXAUSA-N 1 2 330.859 3.385 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C2CCCCC2)C1 ZINC001032869294 1341642090 /nfs/dbraw/zinc/64/20/90/1341642090.db2.gz HYKHMGKLJMBYTE-CQSZACIVSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CCCCC2)C1 ZINC001032869294 1341642091 /nfs/dbraw/zinc/64/20/91/1341642091.db2.gz HYKHMGKLJMBYTE-CQSZACIVSA-N 1 2 329.282 3.008 20 30 EGEDLO CN(C(=O)CC1CCCC1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032877097 1341647050 /nfs/dbraw/zinc/64/70/50/1341647050.db2.gz ONSUMOVXEFRLSA-LJQANCHMSA-N 1 2 343.446 3.310 20 30 EGEDLO CN(C(=O)CC1CCCC1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032877097 1341647051 /nfs/dbraw/zinc/64/70/51/1341647051.db2.gz ONSUMOVXEFRLSA-LJQANCHMSA-N 1 2 343.446 3.310 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3cc(C)cn3c2)C1 ZINC001033137719 1341737719 /nfs/dbraw/zinc/73/77/19/1341737719.db2.gz ZEKBETAXFCBYTO-QGZVFWFLSA-N 1 2 331.847 3.147 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3cc(C)cn3c2)C1 ZINC001033137719 1341737720 /nfs/dbraw/zinc/73/77/20/1341737720.db2.gz ZEKBETAXFCBYTO-QGZVFWFLSA-N 1 2 331.847 3.147 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccnc3ccccc32)C1 ZINC001033239707 1341756625 /nfs/dbraw/zinc/75/66/25/1341756625.db2.gz DDKVMJQZRXXFMD-AWEZNQCLSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccnc3ccccc32)C1 ZINC001033239707 1341756626 /nfs/dbraw/zinc/75/66/26/1341756626.db2.gz DDKVMJQZRXXFMD-AWEZNQCLSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC001033272258 1341765069 /nfs/dbraw/zinc/76/50/69/1341765069.db2.gz PKMNWJXXJCPMIY-ROUUACIJSA-N 1 2 332.875 3.465 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC001033272258 1341765072 /nfs/dbraw/zinc/76/50/72/1341765072.db2.gz PKMNWJXXJCPMIY-ROUUACIJSA-N 1 2 332.875 3.465 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2sccc2-n2cccc2)C1 ZINC001033308420 1341776281 /nfs/dbraw/zinc/77/62/81/1341776281.db2.gz KSJNPGDAKMNYSD-AWEZNQCLSA-N 1 2 349.887 3.438 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2sccc2-n2cccc2)C1 ZINC001033308420 1341776282 /nfs/dbraw/zinc/77/62/82/1341776282.db2.gz KSJNPGDAKMNYSD-AWEZNQCLSA-N 1 2 349.887 3.438 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ncc(CC)o3)C2)CC1 ZINC001033389175 1341807848 /nfs/dbraw/zinc/80/78/48/1341807848.db2.gz JTBJBTJKNCGTPV-INIZCTEOSA-N 1 2 331.460 3.016 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@H]2CC[N@H+](Cc3ncc(CC)o3)C2)CC1 ZINC001033389175 1341807853 /nfs/dbraw/zinc/80/78/53/1341807853.db2.gz JTBJBTJKNCGTPV-INIZCTEOSA-N 1 2 331.460 3.016 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ncc(CC)o3)C2)CC1 ZINC001033389177 1341808343 /nfs/dbraw/zinc/80/83/43/1341808343.db2.gz JTBJBTJKNCGTPV-MRXNPFEDSA-N 1 2 331.460 3.016 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ncc(CC)o3)C2)CC1 ZINC001033389177 1341808344 /nfs/dbraw/zinc/80/83/44/1341808344.db2.gz JTBJBTJKNCGTPV-MRXNPFEDSA-N 1 2 331.460 3.016 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC001033446793 1341827547 /nfs/dbraw/zinc/82/75/47/1341827547.db2.gz BRCFWPDQLCZBFN-ZDUSSCGKSA-N 1 2 345.245 3.307 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC001033446793 1341827549 /nfs/dbraw/zinc/82/75/49/1341827549.db2.gz BRCFWPDQLCZBFN-ZDUSSCGKSA-N 1 2 345.245 3.307 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(OC)cc2Cl)C1 ZINC001033510502 1341852844 /nfs/dbraw/zinc/85/28/44/1341852844.db2.gz RXKXMTHWTGRHGE-GFCCVEGCSA-N 1 2 343.254 3.247 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(OC)cc2Cl)C1 ZINC001033510502 1341852845 /nfs/dbraw/zinc/85/28/45/1341852845.db2.gz RXKXMTHWTGRHGE-GFCCVEGCSA-N 1 2 343.254 3.247 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3ccn(C)c3c2)C1 ZINC001033554888 1341869910 /nfs/dbraw/zinc/86/99/10/1341869910.db2.gz JXMUDVFRQUGLKD-INIZCTEOSA-N 1 2 331.847 3.077 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3ccn(C)c3c2)C1 ZINC001033554888 1341869913 /nfs/dbraw/zinc/86/99/13/1341869913.db2.gz JXMUDVFRQUGLKD-INIZCTEOSA-N 1 2 331.847 3.077 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCc3ccccc3C2)C1 ZINC001033616676 1341904187 /nfs/dbraw/zinc/90/41/87/1341904187.db2.gz JJLNQMMWFOGDRE-QFBILLFUSA-N 1 2 346.902 3.467 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCc3ccccc3C2)C1 ZINC001033616676 1341904189 /nfs/dbraw/zinc/90/41/89/1341904189.db2.gz JJLNQMMWFOGDRE-QFBILLFUSA-N 1 2 346.902 3.467 20 30 EGEDLO CCN(C(=O)C1CCC1)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033724020 1341977019 /nfs/dbraw/zinc/97/70/19/1341977019.db2.gz XWPVYDMDNXTJSC-SFHVURJKSA-N 1 2 344.886 3.414 20 30 EGEDLO CCN(C(=O)C1CCC1)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033724020 1341977020 /nfs/dbraw/zinc/97/70/20/1341977020.db2.gz XWPVYDMDNXTJSC-SFHVURJKSA-N 1 2 344.886 3.414 20 30 EGEDLO CCN(C(=O)C1CC=CC1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033779527 1341999847 /nfs/dbraw/zinc/99/98/47/1341999847.db2.gz CMDZNNKFQVWPIV-LJQANCHMSA-N 1 2 341.430 3.086 20 30 EGEDLO CCN(C(=O)C1CC=CC1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033779527 1341999848 /nfs/dbraw/zinc/99/98/48/1341999848.db2.gz CMDZNNKFQVWPIV-LJQANCHMSA-N 1 2 341.430 3.086 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(C(C)C)on2)C1 ZINC001033915556 1342085218 /nfs/dbraw/zinc/08/52/18/1342085218.db2.gz GJACOOSWNFMUDH-CYBMUJFWSA-N 1 2 325.840 3.087 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C(C)C)on2)C1 ZINC001033915556 1342085220 /nfs/dbraw/zinc/08/52/20/1342085220.db2.gz GJACOOSWNFMUDH-CYBMUJFWSA-N 1 2 325.840 3.087 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc3cc[nH]c32)C1 ZINC001033964382 1342116846 /nfs/dbraw/zinc/11/68/46/1342116846.db2.gz SRQCVCDLTMRNCD-OAHLLOKOSA-N 1 2 331.847 3.457 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc3cc[nH]c32)C1 ZINC001033964382 1342116848 /nfs/dbraw/zinc/11/68/48/1342116848.db2.gz SRQCVCDLTMRNCD-OAHLLOKOSA-N 1 2 331.847 3.457 20 30 EGEDLO O=C(N[C@H]1CCCC[N@@H+](CC#Cc2ccccc2Cl)C1)C1CCC1 ZINC001034069619 1342207539 /nfs/dbraw/zinc/20/75/39/1342207539.db2.gz KVPUSXUYRBQXES-SFHVURJKSA-N 1 2 344.886 3.462 20 30 EGEDLO O=C(N[C@H]1CCCC[N@H+](CC#Cc2ccccc2Cl)C1)C1CCC1 ZINC001034069619 1342207541 /nfs/dbraw/zinc/20/75/41/1342207541.db2.gz KVPUSXUYRBQXES-SFHVURJKSA-N 1 2 344.886 3.462 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2c(C)noc2CCC)C1 ZINC001034199412 1342309881 /nfs/dbraw/zinc/30/98/81/1342309881.db2.gz IPUWMEXVQIGDJJ-AWEZNQCLSA-N 1 2 339.867 3.272 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2c(C)noc2CCC)C1 ZINC001034199412 1342309886 /nfs/dbraw/zinc/30/98/86/1342309886.db2.gz IPUWMEXVQIGDJJ-AWEZNQCLSA-N 1 2 339.867 3.272 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cccc3c2O[C@H](C)C3)C1 ZINC001034314543 1342394395 /nfs/dbraw/zinc/39/43/95/1342394395.db2.gz UKQIZSMCOIOVBU-GDBMZVCRSA-N 1 2 348.874 3.347 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cccc3c2O[C@H](C)C3)C1 ZINC001034314543 1342394399 /nfs/dbraw/zinc/39/43/99/1342394399.db2.gz UKQIZSMCOIOVBU-GDBMZVCRSA-N 1 2 348.874 3.347 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ncoc2C(C)C)C1 ZINC001034476236 1342531821 /nfs/dbraw/zinc/53/18/21/1342531821.db2.gz HRBOJNXEKBATJU-ZDUSSCGKSA-N 1 2 325.840 3.135 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ncoc2C(C)C)C1 ZINC001034476236 1342531828 /nfs/dbraw/zinc/53/18/28/1342531828.db2.gz HRBOJNXEKBATJU-ZDUSSCGKSA-N 1 2 325.840 3.135 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2sc(C)nc2C)C1 ZINC001034521165 1342579375 /nfs/dbraw/zinc/57/93/75/1342579375.db2.gz CLMRXJNBBNYQLH-ZDUSSCGKSA-N 1 2 327.881 3.097 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2sc(C)nc2C)C1 ZINC001034521165 1342579376 /nfs/dbraw/zinc/57/93/76/1342579376.db2.gz CLMRXJNBBNYQLH-ZDUSSCGKSA-N 1 2 327.881 3.097 20 30 EGEDLO C[C@H](C#N)C(=O)N1CCC2(C[NH+](Cc3c(F)cccc3Cl)C2)CC1 ZINC001035668611 1343129047 /nfs/dbraw/zinc/12/90/47/1343129047.db2.gz IMICSXIYWWUTNW-CYBMUJFWSA-N 1 2 349.837 3.063 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC2(C[NH+](Cc3ncc(C)s3)C2)CC1 ZINC001035766402 1343177962 /nfs/dbraw/zinc/17/79/62/1343177962.db2.gz HSPPNAHPVJUBDO-UHFFFAOYSA-N 1 2 333.501 3.088 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccc(OC)c(C)c1)CC2 ZINC001035816906 1343213251 /nfs/dbraw/zinc/21/32/51/1343213251.db2.gz XLFDPUOSLFVVIO-UHFFFAOYSA-N 1 2 348.874 3.294 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ncccc1Cl)CC2 ZINC001035841725 1343223780 /nfs/dbraw/zinc/22/37/80/1343223780.db2.gz SKNKOMWWGAVTJB-UHFFFAOYSA-N 1 2 340.254 3.026 20 30 EGEDLO CC1(C)CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)c(F)c2)C1 ZINC001038674997 1344537500 /nfs/dbraw/zinc/53/75/00/1344537500.db2.gz VCPOIVMWAAENSO-RDJZCZTQSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)c(F)c2)C1 ZINC001038674997 1344537501 /nfs/dbraw/zinc/53/75/01/1344537501.db2.gz VCPOIVMWAAENSO-RDJZCZTQSA-N 1 2 343.446 3.214 20 30 EGEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C1CCC(F)(F)CC1 ZINC001038739352 1344562053 /nfs/dbraw/zinc/56/20/53/1344562053.db2.gz KPQZCCJOILJDLJ-GOSISDBHSA-N 1 2 346.421 3.054 20 30 EGEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)C1CCC(F)(F)CC1 ZINC001038739352 1344562055 /nfs/dbraw/zinc/56/20/55/1344562055.db2.gz KPQZCCJOILJDLJ-GOSISDBHSA-N 1 2 346.421 3.054 20 30 EGEDLO CCCc1occc1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038925185 1344655532 /nfs/dbraw/zinc/65/55/32/1344655532.db2.gz FOJOBOQWXQCYHB-QGZVFWFLSA-N 1 2 337.423 3.108 20 30 EGEDLO CCCc1occc1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038925185 1344655535 /nfs/dbraw/zinc/65/55/35/1344655535.db2.gz FOJOBOQWXQCYHB-QGZVFWFLSA-N 1 2 337.423 3.108 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)CC1 ZINC001038928888 1344657065 /nfs/dbraw/zinc/65/70/65/1344657065.db2.gz FUSOXFBLUDODDF-RBSFLKMASA-N 1 2 331.485 3.137 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)CC1 ZINC001038928888 1344657068 /nfs/dbraw/zinc/65/70/68/1344657068.db2.gz FUSOXFBLUDODDF-RBSFLKMASA-N 1 2 331.485 3.137 20 30 EGEDLO Cc1cc(C)cc(C(=O)NC[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)c1 ZINC001038962562 1344685369 /nfs/dbraw/zinc/68/53/69/1344685369.db2.gz YYWSDUOUEVJGBV-NRFANRHFSA-N 1 2 332.447 3.159 20 30 EGEDLO Cc1cc(C)cc(C(=O)NC[C@@H]2CC[N@H+]2CC#Cc2ccccc2)c1 ZINC001038962562 1344685372 /nfs/dbraw/zinc/68/53/72/1344685372.db2.gz YYWSDUOUEVJGBV-NRFANRHFSA-N 1 2 332.447 3.159 20 30 EGEDLO CC(C)c1occc1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001039059733 1344741778 /nfs/dbraw/zinc/74/17/78/1344741778.db2.gz HNFQHDDQOKGDQH-QGZVFWFLSA-N 1 2 337.423 3.279 20 30 EGEDLO CC(C)c1occc1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001039059733 1344741784 /nfs/dbraw/zinc/74/17/84/1344741784.db2.gz HNFQHDDQOKGDQH-QGZVFWFLSA-N 1 2 337.423 3.279 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CC1 ZINC001039362094 1345028659 /nfs/dbraw/zinc/02/86/59/1345028659.db2.gz JUGRNRYFVMXVEI-YUELXQCFSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CC1 ZINC001039362094 1345028662 /nfs/dbraw/zinc/02/86/62/1345028662.db2.gz JUGRNRYFVMXVEI-YUELXQCFSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1cncc(C)c1 ZINC001039403094 1345048962 /nfs/dbraw/zinc/04/89/62/1345048962.db2.gz HDXHXZRMYGBCFJ-MSOLQXFVSA-N 1 2 347.890 3.140 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1cncc(C)c1 ZINC001039403094 1345048965 /nfs/dbraw/zinc/04/89/65/1345048965.db2.gz HDXHXZRMYGBCFJ-MSOLQXFVSA-N 1 2 347.890 3.140 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N(C)C)cc1 ZINC001039464444 1345082364 /nfs/dbraw/zinc/08/23/64/1345082364.db2.gz KKBBIMQBDTUWNP-MSOLQXFVSA-N 1 2 347.890 3.184 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N(C)C)cc1 ZINC001039464444 1345082366 /nfs/dbraw/zinc/08/23/66/1345082366.db2.gz KKBBIMQBDTUWNP-MSOLQXFVSA-N 1 2 347.890 3.184 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccnc1C ZINC001039826840 1345201012 /nfs/dbraw/zinc/20/10/12/1345201012.db2.gz FHNHPXHVACONFG-HDICACEKSA-N 1 2 327.472 3.168 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccnc1C ZINC001039826840 1345201014 /nfs/dbraw/zinc/20/10/14/1345201014.db2.gz FHNHPXHVACONFG-HDICACEKSA-N 1 2 327.472 3.168 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H](C)[C@@H](CNc3cc[nH+]c(C)n3)C2)CC1 ZINC001039890828 1345233535 /nfs/dbraw/zinc/23/35/35/1345233535.db2.gz OVLCLNIHVJWLBZ-YJBOKZPZSA-N 1 2 342.487 3.428 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3sccc3F)C[C@H]21 ZINC001042038383 1345929299 /nfs/dbraw/zinc/92/92/99/1345929299.db2.gz MNLVVEHWVDZGEP-DGCLKSJQSA-N 1 2 328.840 3.176 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3sccc3F)C[C@H]21 ZINC001042038383 1345929301 /nfs/dbraw/zinc/92/93/01/1345929301.db2.gz MNLVVEHWVDZGEP-DGCLKSJQSA-N 1 2 328.840 3.176 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3cscn3)[C@@H]2C1 ZINC001042185488 1345972759 /nfs/dbraw/zinc/97/27/59/1345972759.db2.gz SZXXNMDCFQMMTO-GDBMZVCRSA-N 1 2 333.501 3.168 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cscn3)[C@@H]2C1 ZINC001042185488 1345972761 /nfs/dbraw/zinc/97/27/61/1345972761.db2.gz SZXXNMDCFQMMTO-GDBMZVCRSA-N 1 2 333.501 3.168 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@@H]3CC[N@H+](Cc4cscn4)[C@H]3C2)CC1 ZINC001042213204 1345988362 /nfs/dbraw/zinc/98/83/62/1345988362.db2.gz DSMWFNSRTJJFLJ-YJBOKZPZSA-N 1 2 345.512 3.312 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4cscn4)[C@H]3C2)CC1 ZINC001042213204 1345988366 /nfs/dbraw/zinc/98/83/66/1345988366.db2.gz DSMWFNSRTJJFLJ-YJBOKZPZSA-N 1 2 345.512 3.312 20 30 EGEDLO C=CCn1cccc1C(=O)N(C)C1C[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001042931173 1346126383 /nfs/dbraw/zinc/12/63/83/1346126383.db2.gz WFOPQPUCZHJLPJ-UHFFFAOYSA-N 1 2 337.467 3.247 20 30 EGEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+]([C@H](C)c3cccc(OC)c3)C2)cc1 ZINC001043505662 1346184393 /nfs/dbraw/zinc/18/43/93/1346184393.db2.gz AETGBUDTHFDLLX-MRXNPFEDSA-N 1 2 348.446 3.194 20 30 EGEDLO C#Cc1ccccc1CC(=O)N(C)C1C[NH+](C/C=C/c2ccccc2)C1 ZINC001044233524 1346281143 /nfs/dbraw/zinc/28/11/43/1346281143.db2.gz BMJBIZUTWXKUOM-FMIVXFBMSA-N 1 2 344.458 3.066 20 30 EGEDLO CC(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1Cl ZINC001045715668 1346677592 /nfs/dbraw/zinc/67/75/92/1346677592.db2.gz WYJFKLPOMJRSJO-MSOLQXFVSA-N 1 2 344.886 3.413 20 30 EGEDLO CC(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1Cl ZINC001045715668 1346677595 /nfs/dbraw/zinc/67/75/95/1346677595.db2.gz WYJFKLPOMJRSJO-MSOLQXFVSA-N 1 2 344.886 3.413 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nccn1CC ZINC001045840025 1346715779 /nfs/dbraw/zinc/71/57/79/1346715779.db2.gz BOFYIALRRACWKH-FUHIMQAGSA-N 1 2 344.503 3.071 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1nccn1CC ZINC001045840025 1346715780 /nfs/dbraw/zinc/71/57/80/1346715780.db2.gz BOFYIALRRACWKH-FUHIMQAGSA-N 1 2 344.503 3.071 20 30 EGEDLO C[C@]1(NC(=O)c2ccsc2)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046128068 1346859136 /nfs/dbraw/zinc/85/91/36/1346859136.db2.gz USPOALMMJCQPHE-SFHVURJKSA-N 1 2 343.427 3.153 20 30 EGEDLO C[C@]1(NC(=O)c2ccsc2)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046128068 1346859137 /nfs/dbraw/zinc/85/91/37/1346859137.db2.gz USPOALMMJCQPHE-SFHVURJKSA-N 1 2 343.427 3.153 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(F)cc3ccncc32)C1 ZINC001046319274 1346933401 /nfs/dbraw/zinc/93/34/01/1346933401.db2.gz LBPSMLDUYGHKGP-SFHVURJKSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(F)cc3ccncc32)C1 ZINC001046319274 1346933406 /nfs/dbraw/zinc/93/34/06/1346933406.db2.gz LBPSMLDUYGHKGP-SFHVURJKSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC001046524847 1347004492 /nfs/dbraw/zinc/00/44/92/1347004492.db2.gz DFHVMKVQWIGAAU-CQSZACIVSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC001046524847 1347004495 /nfs/dbraw/zinc/00/44/95/1347004495.db2.gz DFHVMKVQWIGAAU-CQSZACIVSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC001046524846 1347004559 /nfs/dbraw/zinc/00/45/59/1347004559.db2.gz DFHVMKVQWIGAAU-AWEZNQCLSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC001046524846 1347004563 /nfs/dbraw/zinc/00/45/63/1347004563.db2.gz DFHVMKVQWIGAAU-AWEZNQCLSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnc3ccsc3c2)C1 ZINC001046536848 1347007418 /nfs/dbraw/zinc/00/74/18/1347007418.db2.gz AFHAFGKDIMORDE-INIZCTEOSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnc3ccsc3c2)C1 ZINC001046536848 1347007419 /nfs/dbraw/zinc/00/74/19/1347007419.db2.gz AFHAFGKDIMORDE-INIZCTEOSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(F)ccc2Cl)C1 ZINC001046647106 1347047696 /nfs/dbraw/zinc/04/76/96/1347047696.db2.gz RXKORSREXODPQU-HNNXBMFYSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(F)ccc2Cl)C1 ZINC001046647106 1347047699 /nfs/dbraw/zinc/04/76/99/1347047699.db2.gz RXKORSREXODPQU-HNNXBMFYSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnc3ccccc3c2)C1 ZINC001046662059 1347054586 /nfs/dbraw/zinc/05/45/86/1347054586.db2.gz CUMITIHOKHUSEY-SFHVURJKSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnc3ccccc3c2)C1 ZINC001046662059 1347054593 /nfs/dbraw/zinc/05/45/93/1347054593.db2.gz CUMITIHOKHUSEY-SFHVURJKSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ncc(Cl)s1 ZINC001049589617 1347924976 /nfs/dbraw/zinc/92/49/76/1347924976.db2.gz OMYROPRHSGHUMJ-MNOVXSKESA-N 1 2 346.283 3.228 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ncc(Cl)s1 ZINC001049589617 1347924978 /nfs/dbraw/zinc/92/49/78/1347924978.db2.gz OMYROPRHSGHUMJ-MNOVXSKESA-N 1 2 346.283 3.228 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1coc(C)n1 ZINC001049700584 1347979660 /nfs/dbraw/zinc/97/96/60/1347979660.db2.gz XJLHRNKYFBMNCA-ZHALLVOQSA-N 1 2 331.460 3.151 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1coc(C)n1 ZINC001049700584 1347979663 /nfs/dbraw/zinc/97/96/63/1347979663.db2.gz XJLHRNKYFBMNCA-ZHALLVOQSA-N 1 2 331.460 3.151 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1csc(Cl)n1 ZINC001049826000 1348042319 /nfs/dbraw/zinc/04/23/19/1348042319.db2.gz PQPDFBVRZLARDW-NEPJUHHUSA-N 1 2 346.283 3.228 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1csc(Cl)n1 ZINC001049826000 1348042322 /nfs/dbraw/zinc/04/23/22/1348042322.db2.gz PQPDFBVRZLARDW-NEPJUHHUSA-N 1 2 346.283 3.228 20 30 EGEDLO C#Cc1ccc(C(=O)N2CCCCC[C@@H](Nc3cc[nH+]c(C)n3)C2)cc1 ZINC001049957185 1348131862 /nfs/dbraw/zinc/13/18/62/1348131862.db2.gz WLUYXWROMJFRSE-LJQANCHMSA-N 1 2 348.450 3.263 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc2c(s1)CCCC2 ZINC001051233980 1348406897 /nfs/dbraw/zinc/40/68/97/1348406897.db2.gz BQQOKMIKPBQVSD-INIZCTEOSA-N 1 2 348.512 3.024 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc2c(s1)CCCC2 ZINC001051233980 1348406898 /nfs/dbraw/zinc/40/68/98/1348406898.db2.gz BQQOKMIKPBQVSD-INIZCTEOSA-N 1 2 348.512 3.024 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc2cccc(C)c2o1 ZINC001051254572 1348409613 /nfs/dbraw/zinc/40/96/13/1348409613.db2.gz KAIICYGMYKPGLQ-QGZVFWFLSA-N 1 2 342.439 3.138 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cc2cccc(C)c2o1 ZINC001051254572 1348409615 /nfs/dbraw/zinc/40/96/15/1348409615.db2.gz KAIICYGMYKPGLQ-QGZVFWFLSA-N 1 2 342.439 3.138 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](CC)C1CCC(C)CC1)CCO2 ZINC001053281508 1348990616 /nfs/dbraw/zinc/99/06/16/1348990616.db2.gz NHGOHIOYEXFYNE-ACBHZAAOSA-N 1 2 348.531 3.328 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H](CCNc3cc[nH+]c(C)n3)C2)C1 ZINC001053514940 1349052253 /nfs/dbraw/zinc/05/22/53/1349052253.db2.gz UVEYEYHHKUJUSH-GDBMZVCRSA-N 1 2 328.460 3.038 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCC(C)=C(C)C1)O2 ZINC001053605133 1349074514 /nfs/dbraw/zinc/07/45/14/1349074514.db2.gz YPNATICTOSKARB-ROUUACIJSA-N 1 2 332.488 3.049 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccccc1C(C)C)O2 ZINC001053608526 1349075629 /nfs/dbraw/zinc/07/56/29/1349075629.db2.gz DHEYUMSHBUTYJL-QGZVFWFLSA-N 1 2 342.483 3.349 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCC=CCCC1)O2 ZINC001053614272 1349078270 /nfs/dbraw/zinc/07/82/70/1349078270.db2.gz IBYMJNISHSQHKM-ZWKOTPCHSA-N 1 2 332.488 3.049 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C)c(C)cc1Cl)O2 ZINC001053633828 1349081883 /nfs/dbraw/zinc/08/18/83/1349081883.db2.gz BSPLNVUIWJGCHW-HNNXBMFYSA-N 1 2 348.874 3.106 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)C1CCCCC1)CO2 ZINC001053950130 1349126114 /nfs/dbraw/zinc/12/61/14/1349126114.db2.gz VKEONEYWEDKAOD-QGZVFWFLSA-N 1 2 334.504 3.129 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc3ccsc31)CO2 ZINC001053974960 1349126884 /nfs/dbraw/zinc/12/68/84/1349126884.db2.gz WXFBOTZYBRMNMS-HNNXBMFYSA-N 1 2 342.464 3.051 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(CC(C)C)cc1)CO2 ZINC001054004245 1349130560 /nfs/dbraw/zinc/13/05/60/1349130560.db2.gz KAHJNOMMCOZZAM-LJQANCHMSA-N 1 2 342.483 3.034 20 30 EGEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001054037090 1349133035 /nfs/dbraw/zinc/13/30/35/1349133035.db2.gz WTRAJRIWHXVEFK-IBGZPJMESA-N 1 2 336.435 3.076 20 30 EGEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001054037090 1349133040 /nfs/dbraw/zinc/13/30/40/1349133040.db2.gz WTRAJRIWHXVEFK-IBGZPJMESA-N 1 2 336.435 3.076 20 30 EGEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccsc1C ZINC001054040779 1349135703 /nfs/dbraw/zinc/13/57/03/1349135703.db2.gz FVGAZOUYMCYNCV-GOSISDBHSA-N 1 2 338.476 3.237 20 30 EGEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccsc1C ZINC001054040779 1349135705 /nfs/dbraw/zinc/13/57/05/1349135705.db2.gz FVGAZOUYMCYNCV-GOSISDBHSA-N 1 2 338.476 3.237 20 30 EGEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1occc1CC ZINC001054052399 1349139869 /nfs/dbraw/zinc/13/98/69/1349139869.db2.gz WJKOWSICLPCZTM-IBGZPJMESA-N 1 2 336.435 3.022 20 30 EGEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1occc1CC ZINC001054052399 1349139873 /nfs/dbraw/zinc/13/98/73/1349139873.db2.gz WJKOWSICLPCZTM-IBGZPJMESA-N 1 2 336.435 3.022 20 30 EGEDLO C[C@@H]1C[C@H]1C(=O)NCc1ccc2c(c1)C[N@@H+](Cc1cccc(C#N)c1)C2 ZINC001054254508 1349249957 /nfs/dbraw/zinc/24/99/57/1349249957.db2.gz YXGRRBHTBOLLQP-QVKFZJNVSA-N 1 2 345.446 3.346 20 30 EGEDLO C[C@@H]1C[C@H]1C(=O)NCc1ccc2c(c1)C[N@H+](Cc1cccc(C#N)c1)C2 ZINC001054254508 1349249958 /nfs/dbraw/zinc/24/99/58/1349249958.db2.gz YXGRRBHTBOLLQP-QVKFZJNVSA-N 1 2 345.446 3.346 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc4cc(F)ccc4[nH]3)cc2C1 ZINC001054276734 1349276969 /nfs/dbraw/zinc/27/69/69/1349276969.db2.gz SUXDPNPGEADJRB-UHFFFAOYSA-N 1 2 347.393 3.186 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc4cc(F)ccc4[nH]3)cc2C1 ZINC001054276734 1349276970 /nfs/dbraw/zinc/27/69/70/1349276970.db2.gz SUXDPNPGEADJRB-UHFFFAOYSA-N 1 2 347.393 3.186 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3coc(C(F)F)c3)cc2C1 ZINC001054279305 1349280406 /nfs/dbraw/zinc/28/04/06/1349280406.db2.gz ZUPMOFGJTBJQFO-UHFFFAOYSA-N 1 2 330.334 3.096 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3coc(C(F)F)c3)cc2C1 ZINC001054279305 1349280408 /nfs/dbraw/zinc/28/04/08/1349280408.db2.gz ZUPMOFGJTBJQFO-UHFFFAOYSA-N 1 2 330.334 3.096 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc([C@H](C)CC)no3)cc2C1 ZINC001054284679 1349286533 /nfs/dbraw/zinc/28/65/33/1349286533.db2.gz CABZJEMBUHBKBL-CQSZACIVSA-N 1 2 337.423 3.067 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc([C@H](C)CC)no3)cc2C1 ZINC001054284679 1349286534 /nfs/dbraw/zinc/28/65/34/1349286534.db2.gz CABZJEMBUHBKBL-CQSZACIVSA-N 1 2 337.423 3.067 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cccc4ccncc43)cc2C1 ZINC001054288476 1349292476 /nfs/dbraw/zinc/29/24/76/1349292476.db2.gz YAORNHBPDCLRAX-UHFFFAOYSA-N 1 2 341.414 3.114 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cccc4ccncc43)cc2C1 ZINC001054288476 1349292481 /nfs/dbraw/zinc/29/24/81/1349292481.db2.gz YAORNHBPDCLRAX-UHFFFAOYSA-N 1 2 341.414 3.114 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2coc3cc(F)ccc23)C1 ZINC001080008678 1357457634 /nfs/dbraw/zinc/45/76/34/1357457634.db2.gz ZAHJBRWFIQAAED-MEBBXXQBSA-N 1 2 336.794 3.375 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2coc3cc(F)ccc23)C1 ZINC001080008678 1357457637 /nfs/dbraw/zinc/45/76/37/1357457637.db2.gz ZAHJBRWFIQAAED-MEBBXXQBSA-N 1 2 336.794 3.375 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001057014312 1349974585 /nfs/dbraw/zinc/97/45/85/1349974585.db2.gz LLQATHBVHWLGEM-APWZRJJASA-N 1 2 330.476 3.041 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)C1 ZINC001057231376 1350002973 /nfs/dbraw/zinc/00/29/73/1350002973.db2.gz SPFOOKKHRRWODC-UHFFFAOYSA-N 1 2 342.487 3.303 20 30 EGEDLO C=C1CCC(C(=O)NC2CCN(c3nc(C)[nH+]c(C)c3C)CC2)CC1 ZINC001057935700 1350162636 /nfs/dbraw/zinc/16/26/36/1350162636.db2.gz NSZMHSOHPDBYLD-UHFFFAOYSA-N 1 2 342.487 3.233 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H](N(C)c3nc(C)[nH+]c(C)c3C)C2)C1 ZINC001061262885 1351332673 /nfs/dbraw/zinc/33/26/73/1351332673.db2.gz DARMTZPFUDGRDJ-KRWDZBQOSA-N 1 2 342.487 3.185 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3csc(C)n3)C[C@H]2C)CC1 ZINC001080385013 1357597248 /nfs/dbraw/zinc/59/72/48/1357597248.db2.gz VJXIGHLAIAAIQW-CXAGYDPISA-N 1 2 333.501 3.134 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3csc(C)n3)C[C@H]2C)CC1 ZINC001080385013 1357597254 /nfs/dbraw/zinc/59/72/54/1357597254.db2.gz VJXIGHLAIAAIQW-CXAGYDPISA-N 1 2 333.501 3.134 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3csc(CCC)n3)C[C@H]2C)C1 ZINC001080404307 1357608669 /nfs/dbraw/zinc/60/86/69/1357608669.db2.gz BUJPSYBCZUBMGA-GDBMZVCRSA-N 1 2 347.528 3.388 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3csc(CCC)n3)C[C@H]2C)C1 ZINC001080404307 1357608673 /nfs/dbraw/zinc/60/86/73/1357608673.db2.gz BUJPSYBCZUBMGA-GDBMZVCRSA-N 1 2 347.528 3.388 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)C[C@H]2C)C1 ZINC001067435047 1353395965 /nfs/dbraw/zinc/39/59/65/1353395965.db2.gz HAJRLIUXVQZCFI-DYVFJYSZSA-N 1 2 342.487 3.089 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC(CN(CC)c2cc[nH+]c(C)n2)CC1 ZINC001067637105 1353476606 /nfs/dbraw/zinc/47/66/06/1353476606.db2.gz UXDBSUPUWOSSGU-UHFFFAOYSA-N 1 2 344.503 3.452 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C2CCC2)C[N@@H+]1CC#Cc1ccccc1Cl ZINC001071302242 1354557539 /nfs/dbraw/zinc/55/75/39/1354557539.db2.gz GOWQCINDQYFECZ-CRAIPNDOSA-N 1 2 344.886 3.461 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C2CCC2)C[N@H+]1CC#Cc1ccccc1Cl ZINC001071302242 1354557542 /nfs/dbraw/zinc/55/75/42/1354557542.db2.gz GOWQCINDQYFECZ-CRAIPNDOSA-N 1 2 344.886 3.461 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)c2ccco2)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC001071312612 1354571727 /nfs/dbraw/zinc/57/17/27/1354571727.db2.gz MVNSXCGLCVHQIH-CJNGLKHVSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)c2ccco2)C[N@H+]1Cc1cc(C#N)ccc1F ZINC001071312612 1354571735 /nfs/dbraw/zinc/57/17/35/1354571735.db2.gz MVNSXCGLCVHQIH-CJNGLKHVSA-N 1 2 341.386 3.073 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3ccccc3C#N)C2)cn1 ZINC001071344410 1354611272 /nfs/dbraw/zinc/61/12/72/1354611272.db2.gz BJHUJJSQYHVONO-UZLBHIALSA-N 1 2 348.450 3.045 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3ccccc3C#N)C2)cn1 ZINC001071344410 1354611279 /nfs/dbraw/zinc/61/12/79/1354611279.db2.gz BJHUJJSQYHVONO-UZLBHIALSA-N 1 2 348.450 3.045 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)CC2CCC2)CC[C@@H]1C ZINC001071398833 1354660681 /nfs/dbraw/zinc/66/06/81/1354660681.db2.gz KFLQLHQXZCGPKD-JSGCOSHPSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)CC2CCC2)CC[C@@H]1C ZINC001071398833 1354660686 /nfs/dbraw/zinc/66/06/86/1354660686.db2.gz KFLQLHQXZCGPKD-JSGCOSHPSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2c3c[nH]nc3ccc2C)CC[C@H]1C ZINC001071625564 1354809223 /nfs/dbraw/zinc/80/92/23/1354809223.db2.gz POYKESULTBGSFD-KGLIPLIRSA-N 1 2 346.862 3.207 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2c3c[nH]nc3ccc2C)CC[C@H]1C ZINC001071625564 1354809228 /nfs/dbraw/zinc/80/92/28/1354809228.db2.gz POYKESULTBGSFD-KGLIPLIRSA-N 1 2 346.862 3.207 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccn3ccccc23)CC[C@@H]1C ZINC001071679796 1354846970 /nfs/dbraw/zinc/84/69/70/1354846970.db2.gz ORKOGHGUKTXHBQ-GJZGRUSLSA-N 1 2 331.847 3.275 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccn3ccccc23)CC[C@@H]1C ZINC001071679796 1354846977 /nfs/dbraw/zinc/84/69/77/1354846977.db2.gz ORKOGHGUKTXHBQ-GJZGRUSLSA-N 1 2 331.847 3.275 20 30 EGEDLO Cc1coc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3ccc(C#N)s3)C2)c1 ZINC001071748718 1354900484 /nfs/dbraw/zinc/90/04/84/1354900484.db2.gz QIXJKGZCVDYEHN-ZIAGYGMSSA-N 1 2 343.452 3.304 20 30 EGEDLO Cc1coc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3ccc(C#N)s3)C2)c1 ZINC001071748718 1354900488 /nfs/dbraw/zinc/90/04/88/1354900488.db2.gz QIXJKGZCVDYEHN-ZIAGYGMSSA-N 1 2 343.452 3.304 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc(F)c(F)cc2F)CC[C@H]1C ZINC001071772452 1354918206 /nfs/dbraw/zinc/91/82/06/1354918206.db2.gz LDLJOUHRLHLVPU-MNOVXSKESA-N 1 2 346.780 3.439 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc(F)c(F)cc2F)CC[C@H]1C ZINC001071772452 1354918210 /nfs/dbraw/zinc/91/82/10/1354918210.db2.gz LDLJOUHRLHLVPU-MNOVXSKESA-N 1 2 346.780 3.439 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2cc(F)ccc2F)CC[C@H]1C ZINC001071776572 1354924719 /nfs/dbraw/zinc/92/47/19/1354924719.db2.gz VOKCANVCXCVTSG-IUODEOHRSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2cc(F)ccc2F)CC[C@H]1C ZINC001071776572 1354924724 /nfs/dbraw/zinc/92/47/24/1354924724.db2.gz VOKCANVCXCVTSG-IUODEOHRSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3ccn(CC)n3)C2)CC1 ZINC001071794487 1354939289 /nfs/dbraw/zinc/93/92/89/1354939289.db2.gz CGLLJAWVPMQPEN-WMZOPIPTSA-N 1 2 344.503 3.119 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3ccn(CC)n3)C2)CC1 ZINC001071794487 1354939296 /nfs/dbraw/zinc/93/92/96/1354939296.db2.gz CGLLJAWVPMQPEN-WMZOPIPTSA-N 1 2 344.503 3.119 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3nc(C)oc3C)C2)C1 ZINC001071807353 1354951780 /nfs/dbraw/zinc/95/17/80/1354951780.db2.gz QYPMZYZBWMTTKL-CZUORRHYSA-N 1 2 331.460 3.117 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3nc(C)oc3C)C2)C1 ZINC001071807353 1354951784 /nfs/dbraw/zinc/95/17/84/1354951784.db2.gz QYPMZYZBWMTTKL-CZUORRHYSA-N 1 2 331.460 3.117 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc(F)c(OC)c2)CC[C@H]1C ZINC001071835426 1354970039 /nfs/dbraw/zinc/97/00/39/1354970039.db2.gz NBMKMDDBNQVVNI-TZMCWYRMSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc(F)c(OC)c2)CC[C@H]1C ZINC001071835426 1354970044 /nfs/dbraw/zinc/97/00/44/1354970044.db2.gz NBMKMDDBNQVVNI-TZMCWYRMSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc3ccccn3c2)CC[C@@H]1C ZINC001071859613 1354987070 /nfs/dbraw/zinc/98/70/70/1354987070.db2.gz AULZHCMYAGSKLL-HOCLYGCPSA-N 1 2 331.847 3.275 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc3ccccn3c2)CC[C@@H]1C ZINC001071859613 1354987074 /nfs/dbraw/zinc/98/70/74/1354987074.db2.gz AULZHCMYAGSKLL-HOCLYGCPSA-N 1 2 331.847 3.275 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cncc(Cl)c2)CC[C@H]1C ZINC001071890635 1355008876 /nfs/dbraw/zinc/00/88/76/1355008876.db2.gz PFHINKSPMXATHV-BXUZGUMPSA-N 1 2 328.243 3.070 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cncc(Cl)c2)CC[C@H]1C ZINC001071890635 1355008879 /nfs/dbraw/zinc/00/88/79/1355008879.db2.gz PFHINKSPMXATHV-BXUZGUMPSA-N 1 2 328.243 3.070 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2c(F)cccc2F)CC[C@@H]1C ZINC001072023189 1355085408 /nfs/dbraw/zinc/08/54/08/1355085408.db2.gz NKDZIMKHFOZVCH-RYUDHWBXSA-N 1 2 328.790 3.300 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2c(F)cccc2F)CC[C@@H]1C ZINC001072023189 1355085411 /nfs/dbraw/zinc/08/54/11/1355085411.db2.gz NKDZIMKHFOZVCH-RYUDHWBXSA-N 1 2 328.790 3.300 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc(F)cc2F)CC[C@@H]1C ZINC001072041343 1355098970 /nfs/dbraw/zinc/09/89/70/1355098970.db2.gz WZJQYWGDFAJFDK-AAEUAGOBSA-N 1 2 328.790 3.300 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc(F)cc2F)CC[C@@H]1C ZINC001072041343 1355098972 /nfs/dbraw/zinc/09/89/72/1355098972.db2.gz WZJQYWGDFAJFDK-AAEUAGOBSA-N 1 2 328.790 3.300 20 30 EGEDLO C=CCOCC(=O)NCCCCCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001094937687 1361951591 /nfs/dbraw/zinc/95/15/91/1361951591.db2.gz PCYXMXZPIHIZKE-UHFFFAOYSA-N 1 2 348.491 3.200 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001073617747 1355846266 /nfs/dbraw/zinc/84/62/66/1355846266.db2.gz LPGTYKYGEXDFOF-IRXDYDNUSA-N 1 2 340.895 3.083 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001073617747 1355846267 /nfs/dbraw/zinc/84/62/67/1355846267.db2.gz LPGTYKYGEXDFOF-IRXDYDNUSA-N 1 2 340.895 3.083 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCCN1C(=O)C1CCC1 ZINC001073928792 1355964580 /nfs/dbraw/zinc/96/45/80/1355964580.db2.gz UDEUIUPHYSJKSZ-LJQANCHMSA-N 1 2 343.446 3.310 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCCN1C(=O)C1CCC1 ZINC001073928792 1355964582 /nfs/dbraw/zinc/96/45/82/1355964582.db2.gz UDEUIUPHYSJKSZ-LJQANCHMSA-N 1 2 343.446 3.310 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(C)CCCCCC3)C[C@@H]21 ZINC001074268657 1356150459 /nfs/dbraw/zinc/15/04/59/1356150459.db2.gz NNUHZQHMOUCDRB-ZWKOTPCHSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C3(C)CCCCCC3)C[C@@H]21 ZINC001074268657 1356150461 /nfs/dbraw/zinc/15/04/61/1356150461.db2.gz NNUHZQHMOUCDRB-ZWKOTPCHSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2OCC[N@H+](CC3=CCCCC3)[C@H]2C1 ZINC001074314837 1356164993 /nfs/dbraw/zinc/16/49/93/1356164993.db2.gz LOWOZNWXPLYBQQ-OALUTQOASA-N 1 2 346.515 3.391 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2OCC[N@@H+](CC3=CCCCC3)[C@H]2C1 ZINC001074314837 1356164995 /nfs/dbraw/zinc/16/49/95/1356164995.db2.gz LOWOZNWXPLYBQQ-OALUTQOASA-N 1 2 346.515 3.391 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001074315574 1356165265 /nfs/dbraw/zinc/16/52/65/1356165265.db2.gz YKALBFRUFFEORW-RBUKOAKNSA-N 1 2 342.483 3.091 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001074315574 1356165268 /nfs/dbraw/zinc/16/52/68/1356165268.db2.gz YKALBFRUFFEORW-RBUKOAKNSA-N 1 2 342.483 3.091 20 30 EGEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(CC)c(C)s3)C[C@@H]21 ZINC001074397338 1356192852 /nfs/dbraw/zinc/19/28/52/1356192852.db2.gz GPCDEHDXUVQMSJ-IRXDYDNUSA-N 1 2 348.512 3.110 20 30 EGEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(CC)c(C)s3)C[C@@H]21 ZINC001074397338 1356192857 /nfs/dbraw/zinc/19/28/57/1356192857.db2.gz GPCDEHDXUVQMSJ-IRXDYDNUSA-N 1 2 348.512 3.110 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCCC1(F)F)C2 ZINC001097718250 1363108123 /nfs/dbraw/zinc/10/81/23/1363108123.db2.gz BAHSFVGCJASUQE-DGAVXFQQSA-N 1 2 332.822 3.286 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCCC1(F)F)C2 ZINC001097718250 1363108124 /nfs/dbraw/zinc/10/81/24/1363108124.db2.gz BAHSFVGCJASUQE-DGAVXFQQSA-N 1 2 332.822 3.286 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccccc3)[C@@H]2C1 ZINC001075499226 1356411317 /nfs/dbraw/zinc/41/13/17/1356411317.db2.gz MJLPIWGFBVRZSO-FXAWDEMLSA-N 1 2 349.409 3.044 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)c3ccccc3)[C@@H]2C1 ZINC001075499226 1356411319 /nfs/dbraw/zinc/41/13/19/1356411319.db2.gz MJLPIWGFBVRZSO-FXAWDEMLSA-N 1 2 349.409 3.044 20 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1361561489 /nfs/dbraw/zinc/56/14/89/1361561489.db2.gz DMVLONHMZNNGJV-JEWRLFTDSA-N 1 2 342.487 3.062 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@]3(C)CCC[C@H]3CC)CC2)C1 ZINC001093547057 1361639695 /nfs/dbraw/zinc/63/96/95/1361639695.db2.gz ZGMPWRZUBRFBKN-UZLBHIALSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)CC3CC(C)(C)C3)CC2)C1 ZINC001093563983 1361644108 /nfs/dbraw/zinc/64/41/08/1361644108.db2.gz ODPDQLHRMLWXHN-UHFFFAOYSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CCC[C@H]3CC)CC2)C1 ZINC001093570999 1361646303 /nfs/dbraw/zinc/64/63/03/1361646303.db2.gz YNGINDIZBRYQGX-APWZRJJASA-N 1 2 334.504 3.081 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CCC3CCCCC3)CC2)C1 ZINC001093595035 1361652267 /nfs/dbraw/zinc/65/22/67/1361652267.db2.gz HEARBMJOQIMCAQ-UHFFFAOYSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C2(CCC)CCC2)C1 ZINC001481737838 1394485405 /nfs/dbraw/zinc/48/54/05/1394485405.db2.gz PDGGUHIQIFNJRJ-AWEZNQCLSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C2(CCC)CCC2)C1 ZINC001481737838 1394485409 /nfs/dbraw/zinc/48/54/09/1394485409.db2.gz PDGGUHIQIFNJRJ-AWEZNQCLSA-N 1 2 343.309 3.398 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095151884 1362034342 /nfs/dbraw/zinc/03/43/42/1362034342.db2.gz QGXLFZXLKRCJRL-INIZCTEOSA-N 1 2 328.460 3.056 20 30 EGEDLO C=CCC1(C(=O)N2CCCN(c3nc(C)[nH+]c(C)c3C)CC2)CCC1 ZINC001095205881 1362052484 /nfs/dbraw/zinc/05/24/84/1362052484.db2.gz MCMVBOYBBGAXLA-UHFFFAOYSA-N 1 2 342.487 3.187 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095285139 1362083565 /nfs/dbraw/zinc/08/35/65/1362083565.db2.gz PUIRYXUIQDMMON-KRWDZBQOSA-N 1 2 340.471 3.259 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095446470 1362143845 /nfs/dbraw/zinc/14/38/45/1362143845.db2.gz UCGRPHKCKNUEHK-LJQANCHMSA-N 1 2 330.476 3.089 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)cc(OC)c1C)C2 ZINC001095692556 1362203141 /nfs/dbraw/zinc/20/31/41/1362203141.db2.gz ZVXUCCPCTRKZMP-PVAVHDDUSA-N 1 2 348.874 3.400 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)cc(OC)c1C)C2 ZINC001095692556 1362203145 /nfs/dbraw/zinc/20/31/45/1362203145.db2.gz ZVXUCCPCTRKZMP-PVAVHDDUSA-N 1 2 348.874 3.400 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)ccc1OC)C2 ZINC001095711565 1362208946 /nfs/dbraw/zinc/20/89/46/1362208946.db2.gz ISFDRKHIAPWBQC-KBMXLJTQSA-N 1 2 334.847 3.091 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)ccc1OC)C2 ZINC001095711565 1362208947 /nfs/dbraw/zinc/20/89/47/1362208947.db2.gz ISFDRKHIAPWBQC-KBMXLJTQSA-N 1 2 334.847 3.091 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c(cn1)CCCC3)C2 ZINC001095729283 1362215307 /nfs/dbraw/zinc/21/53/07/1362215307.db2.gz VMBNYDQUGXGDMA-RYRKJORJSA-N 1 2 345.874 3.048 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c(cn1)CCCC3)C2 ZINC001095729283 1362215308 /nfs/dbraw/zinc/21/53/08/1362215308.db2.gz VMBNYDQUGXGDMA-RYRKJORJSA-N 1 2 345.874 3.048 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3ccccc13)C2 ZINC001095740008 1362218427 /nfs/dbraw/zinc/21/84/27/1362218427.db2.gz SVLSXMNVPSCBOD-KMFMINBZSA-N 1 2 329.831 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3ccccc13)C2 ZINC001095740008 1362218428 /nfs/dbraw/zinc/21/84/28/1362218428.db2.gz SVLSXMNVPSCBOD-KMFMINBZSA-N 1 2 329.831 3.027 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096207465 1362431591 /nfs/dbraw/zinc/43/15/91/1362431591.db2.gz VJLVVQXVLKVYSS-MRXNPFEDSA-N 1 2 342.487 3.350 20 30 EGEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ccccc1F ZINC001096739107 1362680248 /nfs/dbraw/zinc/68/02/48/1362680248.db2.gz LGOVHVSFGSCKLW-UIFIKXQLSA-N 1 2 348.421 3.213 20 30 EGEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ccccc1F ZINC001096739107 1362680255 /nfs/dbraw/zinc/68/02/55/1362680255.db2.gz LGOVHVSFGSCKLW-UIFIKXQLSA-N 1 2 348.421 3.213 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](CN(C)c2cc[nH+]c(C)n2)C1 ZINC001096875096 1362762669 /nfs/dbraw/zinc/76/26/69/1362762669.db2.gz GPFHBYYSENWNGO-RDJZCZTQSA-N 1 2 330.476 3.062 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)o1 ZINC001096932481 1362781353 /nfs/dbraw/zinc/78/13/53/1362781353.db2.gz PPFWNCKNHVAZGZ-QRVBRYPASA-N 1 2 349.434 3.303 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)o1 ZINC001096932481 1362781356 /nfs/dbraw/zinc/78/13/56/1362781356.db2.gz PPFWNCKNHVAZGZ-QRVBRYPASA-N 1 2 349.434 3.303 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001096972223 1362799020 /nfs/dbraw/zinc/79/90/20/1362799020.db2.gz NOKDLYDJKRMWSD-HOTGVXAUSA-N 1 2 342.487 3.279 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001096974543 1362801186 /nfs/dbraw/zinc/80/11/86/1362801186.db2.gz UUNPFLZQGBUPTF-HOCLYGCPSA-N 1 2 342.487 3.279 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097333932 1362938968 /nfs/dbraw/zinc/93/89/68/1362938968.db2.gz XGSLHTCXQRCGRE-KRWDZBQOSA-N 1 2 344.503 3.337 20 30 EGEDLO CCc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)o1 ZINC001097351154 1362947622 /nfs/dbraw/zinc/94/76/22/1362947622.db2.gz NHGDTPZUUYPPON-RLLQIKCJSA-N 1 2 348.446 3.229 20 30 EGEDLO CCc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)o1 ZINC001097351154 1362947625 /nfs/dbraw/zinc/94/76/25/1362947625.db2.gz NHGDTPZUUYPPON-RLLQIKCJSA-N 1 2 348.446 3.229 20 30 EGEDLO Cc1cc(NC[C@@H]2CCCCN2C(=O)C#CC(C)C)nc(C2CC2)[nH+]1 ZINC001097482281 1363013643 /nfs/dbraw/zinc/01/36/43/1363013643.db2.gz AWSSPLCIFHDDDS-KRWDZBQOSA-N 1 2 340.471 3.115 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H](C)[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001097535232 1363044222 /nfs/dbraw/zinc/04/42/22/1363044222.db2.gz PMSIHSADKPYGLC-ZBFHGGJFSA-N 1 2 330.476 3.108 20 30 EGEDLO C=CCCC(=O)NC1CCC(Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001097612822 1363075206 /nfs/dbraw/zinc/07/52/06/1363075206.db2.gz KLTAUHNWFAIVLQ-UHFFFAOYSA-N 1 2 328.460 3.468 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H](C)c2ncc(C)o2)cc1 ZINC001097626476 1363080006 /nfs/dbraw/zinc/08/00/06/1363080006.db2.gz IBOKSGDURDXQTE-AXUOBQJMSA-N 1 2 349.434 3.061 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H](C)c2ncc(C)o2)cc1 ZINC001097626476 1363080011 /nfs/dbraw/zinc/08/00/11/1363080011.db2.gz IBOKSGDURDXQTE-AXUOBQJMSA-N 1 2 349.434 3.061 20 30 EGEDLO C#CCCCCCC(=O)NC1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC001097637294 1363084866 /nfs/dbraw/zinc/08/48/66/1363084866.db2.gz DOPPTSXRKMGGKH-UHFFFAOYSA-N 1 2 328.460 3.208 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)[C@@H](C)CO3)C2 ZINC001097688283 1363101277 /nfs/dbraw/zinc/10/12/77/1363101277.db2.gz ZQQWBMFQOSPPMS-WQFMGJDKSA-N 1 2 346.858 3.270 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)[C@@H](C)CO3)C2 ZINC001097688283 1363101279 /nfs/dbraw/zinc/10/12/79/1363101279.db2.gz ZQQWBMFQOSPPMS-WQFMGJDKSA-N 1 2 346.858 3.270 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC(F)(F)C1)C2 ZINC001097831271 1363134462 /nfs/dbraw/zinc/13/44/62/1363134462.db2.gz OASYUBQNKBWZGA-SYQHCUMBSA-N 1 2 332.822 3.286 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC(F)(F)C1)C2 ZINC001097831271 1363134464 /nfs/dbraw/zinc/13/44/64/1363134464.db2.gz OASYUBQNKBWZGA-SYQHCUMBSA-N 1 2 332.822 3.286 20 30 EGEDLO C=CC[C@H](Cc1ccccc1)C(=O)NC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001097881546 1363148588 /nfs/dbraw/zinc/14/85/88/1363148588.db2.gz KMJVGSRKLIZPOW-CRAIPNDOSA-N 1 2 338.455 3.137 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(Cl)s1)C2 ZINC001097995886 1363192476 /nfs/dbraw/zinc/19/24/76/1363192476.db2.gz KTKHVBASKSOHMV-RTXFEEFZSA-N 1 2 345.295 3.418 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(Cl)s1)C2 ZINC001097995886 1363192478 /nfs/dbraw/zinc/19/24/78/1363192478.db2.gz KTKHVBASKSOHMV-RTXFEEFZSA-N 1 2 345.295 3.418 20 30 EGEDLO CCCCCCCCOCC(=O)NC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001098347658 1363305134 /nfs/dbraw/zinc/30/51/34/1363305134.db2.gz CGSAPZLAHJUMCR-HNNXBMFYSA-N 1 2 336.480 3.079 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CCC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001098617717 1363400712 /nfs/dbraw/zinc/40/07/12/1363400712.db2.gz PSHXSBQYVSIDOK-SJORKVTESA-N 1 2 340.471 3.305 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001098729266 1363452133 /nfs/dbraw/zinc/45/21/33/1363452133.db2.gz NPDBSPFIPWPHFJ-QGZVFWFLSA-N 1 2 344.503 3.431 20 30 EGEDLO C=CCOCC(=O)NCC[C@@H](C)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001098924911 1363522813 /nfs/dbraw/zinc/52/28/13/1363522813.db2.gz IZBXKGUKLYUXKA-OAHLLOKOSA-N 1 2 348.491 3.233 20 30 EGEDLO C#CCCCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1coc(C)n1 ZINC001099029194 1363584231 /nfs/dbraw/zinc/58/42/31/1363584231.db2.gz VTUJAUMGXSMXHO-GOSISDBHSA-N 1 2 345.487 3.283 20 30 EGEDLO C#CCCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1coc(C)n1 ZINC001099029194 1363584233 /nfs/dbraw/zinc/58/42/33/1363584233.db2.gz VTUJAUMGXSMXHO-GOSISDBHSA-N 1 2 345.487 3.283 20 30 EGEDLO C#CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1cscn1 ZINC001099043500 1363590588 /nfs/dbraw/zinc/59/05/88/1363590588.db2.gz ONDJSNKKARDKJT-INIZCTEOSA-N 1 2 333.501 3.053 20 30 EGEDLO C#CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1cscn1 ZINC001099043500 1363590592 /nfs/dbraw/zinc/59/05/92/1363590592.db2.gz ONDJSNKKARDKJT-INIZCTEOSA-N 1 2 333.501 3.053 20 30 EGEDLO Cc1nc(C[N@@H+]2CC(C)(C)CC[C@H]2CNC(=O)C#CC(C)(C)C)co1 ZINC001099069306 1363606044 /nfs/dbraw/zinc/60/60/44/1363606044.db2.gz FIPPMLZUHIYDSS-KRWDZBQOSA-N 1 2 345.487 3.139 20 30 EGEDLO Cc1nc(C[N@H+]2CC(C)(C)CC[C@H]2CNC(=O)C#CC(C)(C)C)co1 ZINC001099069306 1363606046 /nfs/dbraw/zinc/60/60/46/1363606046.db2.gz FIPPMLZUHIYDSS-KRWDZBQOSA-N 1 2 345.487 3.139 20 30 EGEDLO Cc1cc(N[C@@H](C)CCNC(=O)C#CC(C)(C)C)nc(C(C)C)[nH+]1 ZINC001099086907 1363616283 /nfs/dbraw/zinc/61/62/83/1363616283.db2.gz IPCFZGPTNTWVMJ-AWEZNQCLSA-N 1 2 330.476 3.265 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nocc1C ZINC001099171725 1363669351 /nfs/dbraw/zinc/66/93/51/1363669351.db2.gz RKKPGBWRLUZDCE-HNNXBMFYSA-N 1 2 333.476 3.302 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nocc1C ZINC001099171725 1363669353 /nfs/dbraw/zinc/66/93/53/1363669353.db2.gz RKKPGBWRLUZDCE-HNNXBMFYSA-N 1 2 333.476 3.302 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccon1 ZINC001099193416 1363684501 /nfs/dbraw/zinc/68/45/01/1363684501.db2.gz BHVCKXZWXNXUFV-NVXWUHKLSA-N 1 2 333.476 3.384 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccon1 ZINC001099193416 1363684503 /nfs/dbraw/zinc/68/45/03/1363684503.db2.gz BHVCKXZWXNXUFV-NVXWUHKLSA-N 1 2 333.476 3.384 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nccn1CC ZINC001099199570 1363689045 /nfs/dbraw/zinc/68/90/45/1363689045.db2.gz NXHSBZZFXUBFES-KRWDZBQOSA-N 1 2 346.519 3.366 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nccn1CC ZINC001099199570 1363689048 /nfs/dbraw/zinc/68/90/48/1363689048.db2.gz NXHSBZZFXUBFES-KRWDZBQOSA-N 1 2 346.519 3.366 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)CCOC ZINC001099292759 1363736084 /nfs/dbraw/zinc/73/60/84/1363736084.db2.gz XNVGEDTZWADFKY-HNNXBMFYSA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)CCOC ZINC001099292759 1363736087 /nfs/dbraw/zinc/73/60/87/1363736087.db2.gz XNVGEDTZWADFKY-HNNXBMFYSA-N 1 2 344.927 3.408 20 30 EGEDLO C#CCCCCCC(=O)NCCN(CC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001100685332 1364217826 /nfs/dbraw/zinc/21/78/26/1364217826.db2.gz QGFSJQGETPSEGF-UHFFFAOYSA-N 1 2 344.503 3.435 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCN(CC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001100735402 1364241044 /nfs/dbraw/zinc/24/10/44/1364241044.db2.gz DCRQZMCTYXUUDX-UHFFFAOYSA-N 1 2 332.492 3.453 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001100897323 1364319774 /nfs/dbraw/zinc/31/97/74/1364319774.db2.gz FMVDJJNPKGCAHP-INIZCTEOSA-N 1 2 330.476 3.089 20 30 EGEDLO C=CC1(CC(=O)NC[C@@H]2CCN(c3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001100994590 1364361614 /nfs/dbraw/zinc/36/16/14/1364361614.db2.gz XHVOVXRZNGEPKQ-KRWDZBQOSA-N 1 2 342.487 3.254 20 30 EGEDLO C=C1CC(C)(C(=O)NCCN(CCC)c2nc(C)[nH+]c(C)c2C)C1 ZINC001101232850 1364477945 /nfs/dbraw/zinc/47/79/45/1364477945.db2.gz MWORBOFSRHNXES-UHFFFAOYSA-N 1 2 330.476 3.091 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC([C@H](C)Nc2cc[nH+]c(C)n2)CC1 ZINC001102067132 1364832502 /nfs/dbraw/zinc/83/25/02/1364832502.db2.gz PCWMAIRYVTYBCD-GJZGRUSLSA-N 1 2 330.476 3.426 20 30 EGEDLO C=CCCC(=O)N(CCC)[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102214567 1364937802 /nfs/dbraw/zinc/93/78/02/1364937802.db2.gz LORSFKRHKGOBFH-QGZVFWFLSA-N 1 2 342.487 3.446 20 30 EGEDLO C=C(C)CCC(=O)NCC[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102358307 1365021489 /nfs/dbraw/zinc/02/14/89/1365021489.db2.gz CWFIVOCFFJJIAL-MRXNPFEDSA-N 1 2 342.487 3.351 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N(CC)[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102823579 1365237058 /nfs/dbraw/zinc/23/70/58/1365237058.db2.gz PUIVRJYWPCZFFP-KBXCAEBGSA-N 1 2 344.503 3.431 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CCCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102885884 1365274994 /nfs/dbraw/zinc/27/49/94/1365274994.db2.gz ZLIVWWHRCJBIGZ-QGZVFWFLSA-N 1 2 342.487 3.494 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CCCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102889200 1365276374 /nfs/dbraw/zinc/27/63/74/1365276374.db2.gz UDXXNBSORWUZHO-SFHVURJKSA-N 1 2 342.487 3.071 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H](CC)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001103261504 1365461225 /nfs/dbraw/zinc/46/12/25/1365461225.db2.gz OOPSBNWHOZAKOG-AWEZNQCLSA-N 1 2 330.476 3.183 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H](CC)Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001103307283 1365484881 /nfs/dbraw/zinc/48/48/81/1365484881.db2.gz KEJBJQYJCOHYSD-HNNXBMFYSA-N 1 2 328.460 3.325 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001103616502 1365680481 /nfs/dbraw/zinc/68/04/81/1365680481.db2.gz PZNZWSHHEKBNCO-NVXWUHKLSA-N 1 2 330.476 3.428 20 30 EGEDLO C=CCOCCCC(=O)N(C)[C@@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001104539257 1366066459 /nfs/dbraw/zinc/06/64/59/1366066459.db2.gz XENGUGXYAABJRB-INIZCTEOSA-N 1 2 348.491 3.150 20 30 EGEDLO C=C(C)CCC(=O)N(C)[C@@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104707281 1366138332 /nfs/dbraw/zinc/13/83/32/1366138332.db2.gz VRWDSPNWCWATSO-AWEZNQCLSA-N 1 2 330.476 3.279 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@@H](C)C1 ZINC001105038508 1366287963 /nfs/dbraw/zinc/28/79/63/1366287963.db2.gz NVRFXLHTCZZDTJ-XJKSGUPXSA-N 1 2 328.460 3.278 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@H](C)[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001105089786 1366319814 /nfs/dbraw/zinc/31/98/14/1366319814.db2.gz YTRFFJKOAYVBBE-RDJZCZTQSA-N 1 2 328.460 3.018 20 30 EGEDLO C=CCO[C@H](C)C(=O)NC[C@@H](Nc1cc(C)[nH+]c(C(C)C)n1)C(C)C ZINC001105194140 1366365059 /nfs/dbraw/zinc/36/50/59/1366365059.db2.gz SDJOPSLAAVCEOH-HZPDHXFCSA-N 1 2 348.491 3.052 20 30 EGEDLO C=CC[C@H](C(=O)N(C)CCN(C)c1cc[nH+]c(C)n1)c1ccccc1 ZINC001105414400 1366454518 /nfs/dbraw/zinc/45/45/18/1366454518.db2.gz RYUISIVYCLYNBL-SFHVURJKSA-N 1 2 338.455 3.040 20 30 EGEDLO Cc1cc(NC[C@@H]2CCC[C@H]2NC(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001105657844 1366562146 /nfs/dbraw/zinc/56/21/46/1366562146.db2.gz IQNWMOIGPRBION-DLBZAZTESA-N 1 2 340.471 3.019 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@@H](C)CC(C)(C)C)CC2)C1 ZINC001105724448 1366585822 /nfs/dbraw/zinc/58/58/22/1366585822.db2.gz CPAFYVCAJHRPDC-MRXNPFEDSA-N 1 2 336.520 3.327 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[C@H](CC)C(C)C)CC2)C1 ZINC001105731943 1366588712 /nfs/dbraw/zinc/58/87/12/1366588712.db2.gz YCWWRBYBPKZZDE-KRWDZBQOSA-N 1 2 336.520 3.327 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([NH2+][C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC001185933391 1387829750 /nfs/dbraw/zinc/82/97/50/1387829750.db2.gz WRHURBLVTSNFIE-ZIAGYGMSSA-N 1 2 348.491 3.221 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]([N@H+](C)Cc2noc3c2CC(C)(C)CC3)C1 ZINC001189317750 1366987031 /nfs/dbraw/zinc/98/70/31/1366987031.db2.gz CNOUJCRNQSZGTQ-OAHLLOKOSA-N 1 2 345.487 3.188 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2noc3c2CC(C)(C)CC3)C1 ZINC001189317750 1366987036 /nfs/dbraw/zinc/98/70/36/1366987036.db2.gz CNOUJCRNQSZGTQ-OAHLLOKOSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H](C)CN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001109184819 1366992362 /nfs/dbraw/zinc/99/23/62/1366992362.db2.gz IPSQLROOCMPSAN-GJZGRUSLSA-N 1 2 344.503 3.207 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H](C)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001109202602 1366999805 /nfs/dbraw/zinc/99/98/05/1366999805.db2.gz HXNFEMGLRGVGKY-HZPDHXFCSA-N 1 2 332.492 3.452 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1ccc(F)c(F)c1 ZINC001109250755 1367026166 /nfs/dbraw/zinc/02/61/66/1367026166.db2.gz UIZKXQRYXNTRNJ-UAFONNFLSA-N 1 2 346.421 3.407 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1ccc(F)c(F)c1 ZINC001109250755 1367026170 /nfs/dbraw/zinc/02/61/70/1367026170.db2.gz UIZKXQRYXNTRNJ-UAFONNFLSA-N 1 2 346.421 3.407 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CCCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC001109347630 1367076832 /nfs/dbraw/zinc/07/68/32/1367076832.db2.gz ZGKVCCATCCEMHT-IRXDYDNUSA-N 1 2 328.460 3.066 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@H]([N@H+](C)Cc2c(F)cccc2F)C1 ZINC001189704663 1367090952 /nfs/dbraw/zinc/09/09/52/1367090952.db2.gz CSEOLZJOYUJCLO-HNNXBMFYSA-N 1 2 334.410 3.191 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2c(F)cccc2F)C1 ZINC001189704663 1367090956 /nfs/dbraw/zinc/09/09/56/1367090956.db2.gz CSEOLZJOYUJCLO-HNNXBMFYSA-N 1 2 334.410 3.191 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C(F)(F)F)CCC1)C2 ZINC001109453964 1367131596 /nfs/dbraw/zinc/13/15/96/1367131596.db2.gz CQSMONAIMSJKLD-WOPDTQHZSA-N 1 2 336.785 3.193 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C(F)(F)F)CCC1)C2 ZINC001109453964 1367131600 /nfs/dbraw/zinc/13/16/00/1367131600.db2.gz CQSMONAIMSJKLD-WOPDTQHZSA-N 1 2 336.785 3.193 20 30 EGEDLO C=C[C@H](CC(=O)N(C)CCCNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001109459144 1367133532 /nfs/dbraw/zinc/13/35/32/1367133532.db2.gz XNUJBOCMJNYYBU-QGZVFWFLSA-N 1 2 338.455 3.405 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107949605 1367213482 /nfs/dbraw/zinc/21/34/82/1367213482.db2.gz LGXSXDMPPZCWCD-CQSZACIVSA-N 1 2 342.487 3.349 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@]1(C)C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC001107971443 1367224055 /nfs/dbraw/zinc/22/40/55/1367224055.db2.gz SAHJJBXAARIBRP-HXUWFJFHSA-N 1 2 348.462 3.135 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC001107971443 1367224060 /nfs/dbraw/zinc/22/40/60/1367224060.db2.gz SAHJJBXAARIBRP-HXUWFJFHSA-N 1 2 348.462 3.135 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@]1(C)C[N@H+](Cc2cc(F)ccc2C)CCO1 ZINC001107974081 1367225787 /nfs/dbraw/zinc/22/57/87/1367225787.db2.gz JQGKMLCJWBDFMK-FQEVSTJZSA-N 1 2 348.462 3.198 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@]1(C)C[N@@H+](Cc2cc(F)ccc2C)CCO1 ZINC001107974081 1367225792 /nfs/dbraw/zinc/22/57/92/1367225792.db2.gz JQGKMLCJWBDFMK-FQEVSTJZSA-N 1 2 348.462 3.198 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@]1(C)C[N@H+]([C@H](C)c2ccc(F)cc2)CCO1 ZINC001107977987 1367228185 /nfs/dbraw/zinc/22/81/85/1367228185.db2.gz YSIITEZWACNNEC-UZLBHIALSA-N 1 2 348.462 3.450 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@]1(C)C[N@@H+]([C@H](C)c2ccc(F)cc2)CCO1 ZINC001107977987 1367228187 /nfs/dbraw/zinc/22/81/87/1367228187.db2.gz YSIITEZWACNNEC-UZLBHIALSA-N 1 2 348.462 3.450 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001190345548 1367234119 /nfs/dbraw/zinc/23/41/19/1367234119.db2.gz VAGRIBJNALCUFV-QGZVFWFLSA-N 1 2 343.471 3.353 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001190345548 1367234123 /nfs/dbraw/zinc/23/41/23/1367234123.db2.gz VAGRIBJNALCUFV-QGZVFWFLSA-N 1 2 343.471 3.353 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)N[C@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001108025947 1367246351 /nfs/dbraw/zinc/24/63/51/1367246351.db2.gz ZBBNZKTYAVPOIE-DNVCBOLYSA-N 1 2 348.491 3.054 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2csc(CC)n2)C1 ZINC001190391269 1367250434 /nfs/dbraw/zinc/25/04/34/1367250434.db2.gz YDQAZAKGNMENDZ-OAHLLOKOSA-N 1 2 335.517 3.341 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2csc(CC)n2)C1 ZINC001190391269 1367250437 /nfs/dbraw/zinc/25/04/37/1367250437.db2.gz YDQAZAKGNMENDZ-OAHLLOKOSA-N 1 2 335.517 3.341 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2csc(CC)n2)C1 ZINC001190391266 1367250924 /nfs/dbraw/zinc/25/09/24/1367250924.db2.gz YDQAZAKGNMENDZ-HNNXBMFYSA-N 1 2 335.517 3.341 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2csc(CC)n2)C1 ZINC001190391266 1367250927 /nfs/dbraw/zinc/25/09/27/1367250927.db2.gz YDQAZAKGNMENDZ-HNNXBMFYSA-N 1 2 335.517 3.341 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2nc(C)sc2C)C1 ZINC001190398224 1367253793 /nfs/dbraw/zinc/25/37/93/1367253793.db2.gz SMVGJJHUBTYRCI-HNNXBMFYSA-N 1 2 335.517 3.395 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2nc(C)sc2C)C1 ZINC001190398224 1367253796 /nfs/dbraw/zinc/25/37/96/1367253796.db2.gz SMVGJJHUBTYRCI-HNNXBMFYSA-N 1 2 335.517 3.395 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C(F)F)CCCC1)C2 ZINC001109642766 1367259864 /nfs/dbraw/zinc/25/98/64/1367259864.db2.gz VKDMZUASODAXEV-AGIUHOORSA-N 1 2 332.822 3.286 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C(F)F)CCCC1)C2 ZINC001109642766 1367259871 /nfs/dbraw/zinc/25/98/71/1367259871.db2.gz VKDMZUASODAXEV-AGIUHOORSA-N 1 2 332.822 3.286 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCc2ccc(C(C)C)cc2)C1 ZINC001108069028 1367266570 /nfs/dbraw/zinc/26/65/70/1367266570.db2.gz YAIXANJVDLEDKE-NRFANRHFSA-N 1 2 344.499 3.136 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCc2ccc(C(C)C)cc2)C1 ZINC001108069028 1367266576 /nfs/dbraw/zinc/26/65/76/1367266576.db2.gz YAIXANJVDLEDKE-NRFANRHFSA-N 1 2 344.499 3.136 20 30 EGEDLO CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109659916 1367268876 /nfs/dbraw/zinc/26/88/76/1367268876.db2.gz MCYKILRHXFEPJY-NJAFHUGGSA-N 1 2 343.446 3.355 20 30 EGEDLO CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109659916 1367268883 /nfs/dbraw/zinc/26/88/83/1367268883.db2.gz MCYKILRHXFEPJY-NJAFHUGGSA-N 1 2 343.446 3.355 20 30 EGEDLO C=C1CCC(C(=O)N[C@H](C)CNc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001108084798 1367275168 /nfs/dbraw/zinc/27/51/68/1367275168.db2.gz VDYSJFRLQBTGHV-CQSZACIVSA-N 1 2 328.460 3.325 20 30 EGEDLO CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)CC1 ZINC001109677545 1367276958 /nfs/dbraw/zinc/27/69/58/1367276958.db2.gz YYGHNXIALOAMQH-QYZOEREBSA-N 1 2 340.442 3.089 20 30 EGEDLO CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)CC1 ZINC001109677545 1367276964 /nfs/dbraw/zinc/27/69/64/1367276964.db2.gz YYGHNXIALOAMQH-QYZOEREBSA-N 1 2 340.442 3.089 20 30 EGEDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)c1cccc(C#N)c1F ZINC001190545072 1367289902 /nfs/dbraw/zinc/28/99/02/1367289902.db2.gz HBCGYEXRRUBZEE-UHFFFAOYSA-N 1 2 334.354 3.155 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H](CC)c2ccc(C)cc2)C1 ZINC001108211351 1367344165 /nfs/dbraw/zinc/34/41/65/1367344165.db2.gz PTEDEFYXJLNAFX-GHTZIAJQSA-N 1 2 344.499 3.272 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H](CC)c2ccc(C)cc2)C1 ZINC001108211351 1367344169 /nfs/dbraw/zinc/34/41/69/1367344169.db2.gz PTEDEFYXJLNAFX-GHTZIAJQSA-N 1 2 344.499 3.272 20 30 EGEDLO C=C[C@@H](C(=O)N[C@H](CNc1cc[nH+]c(C)n1)C1CC1)c1ccccc1 ZINC001109857441 1367362092 /nfs/dbraw/zinc/36/20/92/1367362092.db2.gz RVNUWIHHVBNDNT-QZTJIDSGSA-N 1 2 336.439 3.062 20 30 EGEDLO C#CCC1(C(=O)N[C@@H](C)CNc2cc(C)[nH+]c(C(C)C)n2)CCC1 ZINC001108556456 1367487507 /nfs/dbraw/zinc/48/75/07/1367487507.db2.gz OWXAXCNFSHGHPJ-HNNXBMFYSA-N 1 2 328.460 3.019 20 30 EGEDLO C=C/C(C)=C/CC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001191788776 1367587767 /nfs/dbraw/zinc/58/77/67/1367587767.db2.gz AJCYXOJAVIABTR-ACADAKADSA-N 1 2 341.430 3.252 20 30 EGEDLO C=C/C(C)=C/CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001191788776 1367587771 /nfs/dbraw/zinc/58/77/71/1367587771.db2.gz AJCYXOJAVIABTR-ACADAKADSA-N 1 2 341.430 3.252 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC001191889245 1367625981 /nfs/dbraw/zinc/62/59/81/1367625981.db2.gz CLYJCYCYHIVXMR-AEFFLSMTSA-N 1 2 332.492 3.099 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC001191889245 1367625983 /nfs/dbraw/zinc/62/59/83/1367625983.db2.gz CLYJCYCYHIVXMR-AEFFLSMTSA-N 1 2 332.492 3.099 20 30 EGEDLO C=C(C)CCC(=O)N1CCC([C@@H]2CCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001110413202 1367702501 /nfs/dbraw/zinc/70/25/01/1367702501.db2.gz IZUOBGQKJYKLIA-GOSISDBHSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CC1(CC(=O)N[C@@H](C)CN(C)c2cc[nH+]c(C)n2)CCCCC1 ZINC001109007782 1367716597 /nfs/dbraw/zinc/71/65/97/1367716597.db2.gz CJJSRWOXMOLPAF-HNNXBMFYSA-N 1 2 330.476 3.253 20 30 EGEDLO CC[C@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110491763 1367779118 /nfs/dbraw/zinc/77/91/18/1367779118.db2.gz XBUDNDJOYUEXHR-QVSURHGTSA-N 1 2 343.446 3.355 20 30 EGEDLO CC[C@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110491763 1367779123 /nfs/dbraw/zinc/77/91/23/1367779123.db2.gz XBUDNDJOYUEXHR-QVSURHGTSA-N 1 2 343.446 3.355 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@@H]1CCCC1(F)F ZINC001110494298 1367782776 /nfs/dbraw/zinc/78/27/76/1367782776.db2.gz LEJWRMQGPNOCCS-HZMVEIRTSA-N 1 2 338.442 3.337 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@@H]1CCCC1(F)F ZINC001110494298 1367782779 /nfs/dbraw/zinc/78/27/79/1367782779.db2.gz LEJWRMQGPNOCCS-HZMVEIRTSA-N 1 2 338.442 3.337 20 30 EGEDLO Cc1cc(N[C@H]2CCN(C(=O)C#CC(C)C)[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC001110512457 1367795068 /nfs/dbraw/zinc/79/50/68/1367795068.db2.gz JLAVVMKDMBANTE-SJORKVTESA-N 1 2 342.487 3.359 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@H]1CNc1nc(C)[nH+]c2c1CCCC2 ZINC001110555710 1367829009 /nfs/dbraw/zinc/82/90/09/1367829009.db2.gz KGVDMRCUDFCDKH-INIZCTEOSA-N 1 2 342.487 3.423 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)OCCCCCC)C2 ZINC001110558533 1367832017 /nfs/dbraw/zinc/83/20/17/1367832017.db2.gz LUGNNEUDHXBGAS-VQHPVUNQSA-N 1 2 342.911 3.446 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)OCCCCCC)C2 ZINC001110558533 1367832022 /nfs/dbraw/zinc/83/20/22/1367832022.db2.gz LUGNNEUDHXBGAS-VQHPVUNQSA-N 1 2 342.911 3.446 20 30 EGEDLO CC#CCCCC(=O)N1CCC[C@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001110561842 1367834191 /nfs/dbraw/zinc/83/41/91/1367834191.db2.gz VTOASVOPTJDYJD-KRWDZBQOSA-N 1 2 340.471 3.259 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CCOCC)CCC1)C2 ZINC001110572458 1367841082 /nfs/dbraw/zinc/84/10/82/1367841082.db2.gz DUPYZSWKQACKEJ-OAGGEKHMSA-N 1 2 340.895 3.057 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CCOCC)CCC1)C2 ZINC001110572458 1367841085 /nfs/dbraw/zinc/84/10/85/1367841085.db2.gz DUPYZSWKQACKEJ-OAGGEKHMSA-N 1 2 340.895 3.057 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110608341 1367870754 /nfs/dbraw/zinc/87/07/54/1367870754.db2.gz JBRHCNUNQYMXFD-QRQLOZEOSA-N 1 2 341.430 3.275 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110608341 1367870757 /nfs/dbraw/zinc/87/07/57/1367870757.db2.gz JBRHCNUNQYMXFD-QRQLOZEOSA-N 1 2 341.430 3.275 20 30 EGEDLO C#CCN(C(=O)[C@H](CC)CCC)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110626041 1367874022 /nfs/dbraw/zinc/87/40/22/1367874022.db2.gz DNHXLRDVOXTQJN-QGZVFWFLSA-N 1 2 342.487 3.042 20 30 EGEDLO C#CCN(C(=O)CC[C@H](C)CC)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110626346 1367874070 /nfs/dbraw/zinc/87/40/70/1367874070.db2.gz WUASPAOPRYRCTL-MRXNPFEDSA-N 1 2 342.487 3.042 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C1CCCC1 ZINC001110669854 1367908858 /nfs/dbraw/zinc/90/88/58/1367908858.db2.gz CRRPANFLSMKRAL-INIZCTEOSA-N 1 2 330.476 3.474 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C1CCCC1 ZINC001110675851 1367917337 /nfs/dbraw/zinc/91/73/37/1367917337.db2.gz ISVLLVWNTRASCE-QFBILLFUSA-N 1 2 330.476 3.474 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)c1ccncc1)C2 ZINC001110713788 1367942743 /nfs/dbraw/zinc/94/27/43/1367942743.db2.gz PDUFPXYNRNMDOZ-YYQUZTFQSA-N 1 2 333.863 3.049 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)c1ccncc1)C2 ZINC001110713788 1367942750 /nfs/dbraw/zinc/94/27/50/1367942750.db2.gz PDUFPXYNRNMDOZ-YYQUZTFQSA-N 1 2 333.863 3.049 20 30 EGEDLO C[C@@H](CC(F)F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110830163 1368014226 /nfs/dbraw/zinc/01/42/26/1368014226.db2.gz XUWORKOAGQINSF-DXEWXGHRSA-N 1 2 347.409 3.071 20 30 EGEDLO C[C@@H](CC(F)F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110830163 1368014228 /nfs/dbraw/zinc/01/42/28/1368014228.db2.gz XUWORKOAGQINSF-DXEWXGHRSA-N 1 2 347.409 3.071 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@](C)(CNc2cc[nH+]c(C)n2)C1 ZINC001110849234 1368029584 /nfs/dbraw/zinc/02/95/84/1368029584.db2.gz YWPKZPNPAJKDJL-IBGZPJMESA-N 1 2 328.460 3.204 20 30 EGEDLO C=CC(C)(C)CC(=O)NCC1(C)CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110885702 1368059588 /nfs/dbraw/zinc/05/95/88/1368059588.db2.gz QYKGQLVGXOVEIG-UHFFFAOYSA-N 1 2 330.476 3.110 20 30 EGEDLO C=CCCC(=O)NC[C@@]1(C)CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001110920630 1368092152 /nfs/dbraw/zinc/09/21/52/1368092152.db2.gz UHBMAQZTPJDPQT-LJQANCHMSA-N 1 2 330.476 3.091 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001110934135 1368103765 /nfs/dbraw/zinc/10/37/65/1368103765.db2.gz ZIPZNIXAWWIQIT-PILAGYSTSA-N 1 2 331.435 3.045 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001110934135 1368103770 /nfs/dbraw/zinc/10/37/70/1368103770.db2.gz ZIPZNIXAWWIQIT-PILAGYSTSA-N 1 2 331.435 3.045 20 30 EGEDLO CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110968149 1368129267 /nfs/dbraw/zinc/12/92/67/1368129267.db2.gz WYNPULWWMIQEBJ-NXHRZFHOSA-N 1 2 343.446 3.355 20 30 EGEDLO CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110968149 1368129274 /nfs/dbraw/zinc/12/92/74/1368129274.db2.gz WYNPULWWMIQEBJ-NXHRZFHOSA-N 1 2 343.446 3.355 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Oc1ccc(C)cc1)C2 ZINC001111368349 1368273366 /nfs/dbraw/zinc/27/33/66/1368273366.db2.gz XHFZQCONPUKPSC-IDCNUPLLSA-N 1 2 348.874 3.236 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Oc1ccc(C)cc1)C2 ZINC001111368349 1368273368 /nfs/dbraw/zinc/27/33/68/1368273368.db2.gz XHFZQCONPUKPSC-IDCNUPLLSA-N 1 2 348.874 3.236 20 30 EGEDLO CCCCCCCCOC(=O)N[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC001194752279 1368316405 /nfs/dbraw/zinc/31/64/05/1368316405.db2.gz HDZUEGZSCITRDH-IAGOWNOFSA-N 1 2 326.481 3.326 20 30 EGEDLO CCC(=CC(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1)CC ZINC001195481452 1368443192 /nfs/dbraw/zinc/44/31/92/1368443192.db2.gz XVOIWVUDOUVCNP-UHFFFAOYSA-N 1 2 342.458 3.458 20 30 EGEDLO CCC(=CC(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1)CC ZINC001195481452 1368443197 /nfs/dbraw/zinc/44/31/97/1368443197.db2.gz XVOIWVUDOUVCNP-UHFFFAOYSA-N 1 2 342.458 3.458 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2nc3ccccc3o2)CC1 ZINC001196853106 1368698789 /nfs/dbraw/zinc/69/87/89/1368698789.db2.gz HCERSYKJZTZWQH-CVEARBPZSA-N 1 2 341.455 3.320 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2nc3ccccc3o2)CC1 ZINC001196853106 1368698792 /nfs/dbraw/zinc/69/87/92/1368698792.db2.gz HCERSYKJZTZWQH-CVEARBPZSA-N 1 2 341.455 3.320 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2nc(C)sc2C)CC1 ZINC001196853132 1368699451 /nfs/dbraw/zinc/69/94/51/1368699451.db2.gz HLTXZRDCSVEITB-UONOGXRCSA-N 1 2 335.517 3.252 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2nc(C)sc2C)CC1 ZINC001196853132 1368699455 /nfs/dbraw/zinc/69/94/55/1368699455.db2.gz HLTXZRDCSVEITB-UONOGXRCSA-N 1 2 335.517 3.252 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccncc2Cl)CC1 ZINC001196880446 1368705661 /nfs/dbraw/zinc/70/56/61/1368705661.db2.gz JXBXTVGNZZNYTJ-OAHLLOKOSA-N 1 2 335.879 3.372 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccncc2Cl)CC1 ZINC001196880446 1368705663 /nfs/dbraw/zinc/70/56/63/1368705663.db2.gz JXBXTVGNZZNYTJ-OAHLLOKOSA-N 1 2 335.879 3.372 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@H+](Cc2ccncc2Cl)CC1 ZINC001196901543 1368710876 /nfs/dbraw/zinc/71/08/76/1368710876.db2.gz ORBGJEIHAZXAFW-HNNXBMFYSA-N 1 2 335.879 3.372 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@@H+](Cc2ccncc2Cl)CC1 ZINC001196901543 1368710878 /nfs/dbraw/zinc/71/08/78/1368710878.db2.gz ORBGJEIHAZXAFW-HNNXBMFYSA-N 1 2 335.879 3.372 20 30 EGEDLO C=CCCC(=O)N1CCc2ccccc2[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001112764715 1368990890 /nfs/dbraw/zinc/99/08/90/1368990890.db2.gz JZYBBXPMDALWHU-SFHVURJKSA-N 1 2 336.439 3.289 20 30 EGEDLO C#CCCCC(=O)N1CCC[C@@H]1CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001112794830 1369007217 /nfs/dbraw/zinc/00/72/17/1369007217.db2.gz SPINHEYRPRVQLU-QGZVFWFLSA-N 1 2 342.487 3.139 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001112807786 1369019289 /nfs/dbraw/zinc/01/92/89/1369019289.db2.gz OOGSHTVWQAYZBG-KDOFPFPSSA-N 1 2 344.503 3.431 20 30 EGEDLO C=CCCC(=O)NC[C@H]([NH2+]Cc1ccccn1)c1ccccc1OC ZINC001198595331 1369068627 /nfs/dbraw/zinc/06/86/27/1369068627.db2.gz KNJRQENQNYUQQI-SFHVURJKSA-N 1 2 339.439 3.004 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[NH+](CCOc2ccc(C)cc2)CC1 ZINC001112885882 1369069225 /nfs/dbraw/zinc/06/92/25/1369069225.db2.gz VVIVWMFZZNKGME-UHFFFAOYSA-N 1 2 342.483 3.286 20 30 EGEDLO CCCCCCC[NH+]1CCN(C(=O)c2snnc2C2CC2)CC1 ZINC001112984786 1369123085 /nfs/dbraw/zinc/12/30/85/1369123085.db2.gz YZOZLECWCMJLIA-UHFFFAOYSA-N 1 2 336.505 3.144 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CC12CCC2)c1ccccc1OC ZINC001198916410 1369148859 /nfs/dbraw/zinc/14/88/59/1369148859.db2.gz NDANWLXVWBJRQG-HZPDHXFCSA-N 1 2 348.874 3.385 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)c1c[nH]cc1C)c1ccccc1OC ZINC001198984303 1369165757 /nfs/dbraw/zinc/16/57/57/1369165757.db2.gz OGXGMFYKTSMVIY-INIZCTEOSA-N 1 2 347.846 3.145 20 30 EGEDLO CC#CCCCC(=O)N1CC[NH+](Cc2ccc(C(C)C)nc2C)CC1 ZINC001113225995 1369275319 /nfs/dbraw/zinc/27/53/19/1369275319.db2.gz GBGAWNRVJGWDJC-UHFFFAOYSA-N 1 2 341.499 3.351 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001113239562 1369285918 /nfs/dbraw/zinc/28/59/18/1369285918.db2.gz HWBYLJSYVVNOGI-KRWDZBQOSA-N 1 2 330.472 3.250 20 30 EGEDLO C=CCCC1(C(=O)N2CC[NH+](Cc3cc(C)ccc3OC)CC2)CC1 ZINC001113305343 1369334121 /nfs/dbraw/zinc/33/41/21/1369334121.db2.gz LVRWAOMEQMZERS-UHFFFAOYSA-N 1 2 342.483 3.394 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[NH+](CCOc2c(C)cccc2C)CC1 ZINC001113390763 1369392276 /nfs/dbraw/zinc/39/22/76/1369392276.db2.gz RXVMQPULNHLARH-UHFFFAOYSA-N 1 2 344.499 3.429 20 30 EGEDLO C=CCCCCC[NH+]1CCN(C(=O)c2cccc3[nH]c(C)nc32)CC1 ZINC001113494353 1369465740 /nfs/dbraw/zinc/46/57/40/1369465740.db2.gz TZJSNGRJIKKXCU-UHFFFAOYSA-N 1 2 340.471 3.376 20 30 EGEDLO CCCCCCCCCC(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001113578635 1369500182 /nfs/dbraw/zinc/50/01/82/1369500182.db2.gz LIHMJSWQYMEJMQ-UHFFFAOYSA-N 1 2 334.508 3.205 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@H](C)N(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001113727957 1369590422 /nfs/dbraw/zinc/59/04/22/1369590422.db2.gz JPMCWXMUDXMYQW-AWEZNQCLSA-N 1 2 344.503 3.207 20 30 EGEDLO CCCCCCCCCCS(=O)(=O)NCCCn1cc[nH+]c1 ZINC001201829472 1369629626 /nfs/dbraw/zinc/62/96/26/1369629626.db2.gz BMSXLVMHSZJZNC-UHFFFAOYSA-N 1 2 329.510 3.333 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)CC[C@@H]1C ZINC001114039064 1369696770 /nfs/dbraw/zinc/69/67/70/1369696770.db2.gz BFWRRSSSQRVZFJ-SUMWQHHRSA-N 1 2 344.503 3.335 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)CC[C@@H]1C ZINC001114052578 1369705960 /nfs/dbraw/zinc/70/59/60/1369705960.db2.gz MZQDOHRRSQNAEA-GOEBONIOSA-N 1 2 344.503 3.452 20 30 EGEDLO CCCC[C@H](CNc1cc(C)[nH+]c(C(C)C)n1)NC(=O)[C@@H](C)C#N ZINC001114219164 1369803211 /nfs/dbraw/zinc/80/32/11/1369803211.db2.gz VYSPZKDWARHSAW-DZGCQCFKSA-N 1 2 331.464 3.155 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H]2CN(c3cc[nH+]c(C)n3)C[C@@H]2C1 ZINC001114660699 1370012945 /nfs/dbraw/zinc/01/29/45/1370012945.db2.gz PTYPKINRXKIIHB-YESZJQIVSA-N 1 2 342.487 3.108 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001114754413 1370062900 /nfs/dbraw/zinc/06/29/00/1370062900.db2.gz BGTZCPRSRDYFAW-YRWFTTLQSA-N 1 2 342.870 3.094 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001114754413 1370062906 /nfs/dbraw/zinc/06/29/06/1370062906.db2.gz BGTZCPRSRDYFAW-YRWFTTLQSA-N 1 2 342.870 3.094 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[C@H]([NH2+]Cc2noc(C(C)C)n2)C12CCC2 ZINC001203340468 1370089628 /nfs/dbraw/zinc/08/96/28/1370089628.db2.gz LPHIRUPBQQWNMV-LSDHHAIUSA-N 1 2 346.475 3.066 20 30 EGEDLO Cc1cc(NCCC[C@@H](C)NC(=O)C#CC(C)(C)C)nc(C2CC2)[nH+]1 ZINC001114924329 1370153254 /nfs/dbraw/zinc/15/32/54/1370153254.db2.gz RFZCLPOWDCTLQD-CQSZACIVSA-N 1 2 342.487 3.409 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001204286793 1370432827 /nfs/dbraw/zinc/43/28/27/1370432827.db2.gz NXZJZLVJKQYVIC-ZDUSSCGKSA-N 1 2 326.799 3.356 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001204286793 1370432832 /nfs/dbraw/zinc/43/28/32/1370432832.db2.gz NXZJZLVJKQYVIC-ZDUSSCGKSA-N 1 2 326.799 3.356 20 30 EGEDLO CC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206076139 1370955810 /nfs/dbraw/zinc/95/58/10/1370955810.db2.gz NTVPGJXZDYSBHK-IIDMSEBBSA-N 1 2 332.875 3.174 20 30 EGEDLO CC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206076139 1370955813 /nfs/dbraw/zinc/95/58/13/1370955813.db2.gz NTVPGJXZDYSBHK-IIDMSEBBSA-N 1 2 332.875 3.174 20 30 EGEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1ccc(N2CCCC2=O)cc1 ZINC001117392460 1371042091 /nfs/dbraw/zinc/04/20/91/1371042091.db2.gz RSKZVCHCTHWASL-XFXZXTDPSA-N 1 2 335.407 3.171 20 30 EGEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1cc(/C=N/O)ccc1F ZINC001206533084 1371085514 /nfs/dbraw/zinc/08/55/14/1371085514.db2.gz RZMRIHCDIVZTHH-CIAFOILYSA-N 1 2 344.386 3.142 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001207093857 1371291542 /nfs/dbraw/zinc/29/15/42/1371291542.db2.gz QIBVLAHOCTVDOQ-RHSMWYFYSA-N 1 2 347.890 3.440 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001207093857 1371291549 /nfs/dbraw/zinc/29/15/49/1371291549.db2.gz QIBVLAHOCTVDOQ-RHSMWYFYSA-N 1 2 347.890 3.440 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc(C3CC3)no2)C[C@H]1C ZINC001207158394 1371315380 /nfs/dbraw/zinc/31/53/80/1371315380.db2.gz PQPFNZUYTFFDTM-VNHYZAJKSA-N 1 2 346.475 3.047 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc(C3CC3)no2)C[C@H]1C ZINC001207158394 1371315385 /nfs/dbraw/zinc/31/53/85/1371315385.db2.gz PQPFNZUYTFFDTM-VNHYZAJKSA-N 1 2 346.475 3.047 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc(C3CC3)no2)C[C@H]1C ZINC001207158393 1371315682 /nfs/dbraw/zinc/31/56/82/1371315682.db2.gz PQPFNZUYTFFDTM-UMVBOHGHSA-N 1 2 346.475 3.047 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc(C3CC3)no2)C[C@H]1C ZINC001207158393 1371315684 /nfs/dbraw/zinc/31/56/84/1371315684.db2.gz PQPFNZUYTFFDTM-UMVBOHGHSA-N 1 2 346.475 3.047 20 30 EGEDLO O=C1C=C2C[N@H+](CCc3cccc(Br)c3)CC[C@@H]2S1 ZINC001207505987 1371419394 /nfs/dbraw/zinc/41/93/94/1371419394.db2.gz BDFLWJUEXRFBLC-AWEZNQCLSA-N 1 2 338.270 3.266 20 30 EGEDLO O=C1C=C2C[N@@H+](CCc3cccc(Br)c3)CC[C@@H]2S1 ZINC001207505987 1371419395 /nfs/dbraw/zinc/41/93/95/1371419395.db2.gz BDFLWJUEXRFBLC-AWEZNQCLSA-N 1 2 338.270 3.266 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC[C@@H]([NH2+][C@H](C)c2nc(CC)no2)C1 ZINC001208180519 1371621556 /nfs/dbraw/zinc/62/15/56/1371621556.db2.gz QYOAOPJRNBGPQG-GDBMZVCRSA-N 1 2 346.475 3.042 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001208292413 1371704110 /nfs/dbraw/zinc/70/41/10/1371704110.db2.gz UWTFXUFJXHPXLO-DGCLKSJQSA-N 1 2 341.908 3.335 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001208292413 1371704116 /nfs/dbraw/zinc/70/41/16/1371704116.db2.gz UWTFXUFJXHPXLO-DGCLKSJQSA-N 1 2 341.908 3.335 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C(C)(C)C)o2)C[C@H]1C ZINC001208318329 1371715472 /nfs/dbraw/zinc/71/54/72/1371715472.db2.gz SWOJICLHSCEYRM-ZIAGYGMSSA-N 1 2 333.476 3.121 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ncc(C(C)(C)C)o2)C[C@H]1C ZINC001208318329 1371715476 /nfs/dbraw/zinc/71/54/76/1371715476.db2.gz SWOJICLHSCEYRM-ZIAGYGMSSA-N 1 2 333.476 3.121 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc(CCCC)no2)C[C@H]1C ZINC001208458442 1371774402 /nfs/dbraw/zinc/77/44/02/1371774402.db2.gz JYCYLDNZQOFWJJ-OWCLPIDISA-N 1 2 348.491 3.266 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc(CCCC)no2)C[C@H]1C ZINC001208458442 1371774412 /nfs/dbraw/zinc/77/44/12/1371774412.db2.gz JYCYLDNZQOFWJJ-OWCLPIDISA-N 1 2 348.491 3.266 20 30 EGEDLO CC(C)Oc1ccc2[nH+]ccc(NCC3(C#N)CCOCC3)c2c1 ZINC001120976959 1371826652 /nfs/dbraw/zinc/82/66/52/1371826652.db2.gz AKVVFJRVNRTVBI-UHFFFAOYSA-N 1 2 325.412 3.176 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(Cl)cc3F)C[C@H]21 ZINC001187813182 1388169570 /nfs/dbraw/zinc/16/95/70/1388169570.db2.gz OPFIEFOYBYAYNF-MAUKXSAKSA-N 1 2 348.849 3.171 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3F)C[C@H]21 ZINC001187813182 1388169574 /nfs/dbraw/zinc/16/95/74/1388169574.db2.gz OPFIEFOYBYAYNF-MAUKXSAKSA-N 1 2 348.849 3.171 20 30 EGEDLO C#CCN(c1nnc([C@@H]2CCCC[N@@H+]2C)n1C)[C@@H]1CCc2ccccc21 ZINC001121500218 1371992601 /nfs/dbraw/zinc/99/26/01/1371992601.db2.gz PHRHNABBQVWBKB-MOPGFXCFSA-N 1 2 349.482 3.099 20 30 EGEDLO C#CCN(c1nnc([C@@H]2CCCC[N@H+]2C)n1C)[C@@H]1CCc2ccccc21 ZINC001121500218 1371992604 /nfs/dbraw/zinc/99/26/04/1371992604.db2.gz PHRHNABBQVWBKB-MOPGFXCFSA-N 1 2 349.482 3.099 20 30 EGEDLO C=CCCCCCCCC[NH+]1CC2(C1)[C@@H](CF)CCS2(=O)=O ZINC001209445079 1372108292 /nfs/dbraw/zinc/10/82/92/1372108292.db2.gz DYNMKEHYCNLCLL-MRXNPFEDSA-N 1 2 331.497 3.362 20 30 EGEDLO N#C[C@@H]1C[NH2+]CCN1Cc1c[nH]c2c1cccc2OCc1ccccc1 ZINC001210122936 1372275657 /nfs/dbraw/zinc/27/56/57/1372275657.db2.gz VURVBMLKJAXLOG-GOSISDBHSA-N 1 2 346.434 3.044 20 30 EGEDLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 ZINC001122567809 1372276372 /nfs/dbraw/zinc/27/63/72/1372276372.db2.gz GSDWGWWXEJDPPS-GOEBONIOSA-N 1 2 340.452 3.254 20 30 EGEDLO CC(C)[N@H+]1CCC[C@@H]1C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 ZINC001122567809 1372276377 /nfs/dbraw/zinc/27/63/77/1372276377.db2.gz GSDWGWWXEJDPPS-GOEBONIOSA-N 1 2 340.452 3.254 20 30 EGEDLO C=C1CCN(c2nnc([C@H]3CCC[N@H+]3C)n2Cc2cccs2)CC1 ZINC001122913913 1372340019 /nfs/dbraw/zinc/34/00/19/1372340019.db2.gz AVLUZCJNYZQGJI-MRXNPFEDSA-N 1 2 343.500 3.311 20 30 EGEDLO C=C1CCN(c2nnc([C@H]3CCC[N@@H+]3C)n2Cc2cccs2)CC1 ZINC001122913913 1372340022 /nfs/dbraw/zinc/34/00/22/1372340022.db2.gz AVLUZCJNYZQGJI-MRXNPFEDSA-N 1 2 343.500 3.311 20 30 EGEDLO C=CCCCC(=O)N[C@@]12CCC[C@@H]1N(c1nc(C)[nH+]c(C)c1C)CC2 ZINC001123459937 1372477452 /nfs/dbraw/zinc/47/74/52/1372477452.db2.gz PIEZIYYXCRCAGO-FXAWDEMLSA-N 1 2 342.487 3.376 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@@H]2CCC[C@H](Nc3cc[nH+]c(C)n3)[C@H]2C1 ZINC001123487465 1372487401 /nfs/dbraw/zinc/48/74/01/1372487401.db2.gz PAAORWQZBVCSER-ULQDDVLXSA-N 1 2 328.460 3.180 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3coc(C)n3)C[C@H]2C)CCCC1 ZINC001211492840 1372568237 /nfs/dbraw/zinc/56/82/37/1372568237.db2.gz MQKIZUZNGNDLMJ-RHSMWYFYSA-N 1 2 331.460 3.056 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3coc(C)n3)C[C@H]2C)CCCC1 ZINC001211492840 1372568244 /nfs/dbraw/zinc/56/82/44/1372568244.db2.gz MQKIZUZNGNDLMJ-RHSMWYFYSA-N 1 2 331.460 3.056 20 30 EGEDLO Cc1cc(NC[C@H]2CC[C@@H](NC(=O)C#CC(C)C)C2)nc(C2CC2)[nH+]1 ZINC001123784895 1372587892 /nfs/dbraw/zinc/58/78/92/1372587892.db2.gz NTVGQFGQOFHGJV-DOTOQJQBSA-N 1 2 340.471 3.019 20 30 EGEDLO CCCCCCCCS(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001188008248 1388212048 /nfs/dbraw/zinc/21/20/48/1388212048.db2.gz FLNZKVYTBVXBOH-QGZVFWFLSA-N 1 2 340.489 3.225 20 30 EGEDLO C#CCCCCCC(=O)N1C[C@@H](Nc2cc[nH+]c(C)n2)C(C)(C)C1 ZINC001123992405 1372650574 /nfs/dbraw/zinc/65/05/74/1372650574.db2.gz AAIIHJYVCBMXDA-MRXNPFEDSA-N 1 2 328.460 3.018 20 30 EGEDLO C#CCCCCCC(=O)N(CCN(C)c1cc[nH+]c(C)n1)C(C)C ZINC001125629176 1372821798 /nfs/dbraw/zinc/82/17/98/1372821798.db2.gz WAJSZNAINUWHGJ-UHFFFAOYSA-N 1 2 330.476 3.042 20 30 EGEDLO C#CCCCC(=O)N[C@@H](CNc1cc(C)[nH+]c(C2CC2)n1)C(C)(C)C ZINC001125874582 1372878891 /nfs/dbraw/zinc/87/88/91/1372878891.db2.gz NQZPNMLWKYJFJJ-INIZCTEOSA-N 1 2 342.487 3.409 20 30 EGEDLO N#Cc1sccc1Nc1ccc(OCC[NH+]2CCOCC2)cc1F ZINC001213480341 1372911283 /nfs/dbraw/zinc/91/12/83/1372911283.db2.gz LYPXGQHERCUBPS-UHFFFAOYSA-N 1 2 347.415 3.213 20 30 EGEDLO N#Cc1ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2F)cc1 ZINC001213483648 1372912090 /nfs/dbraw/zinc/91/20/90/1372912090.db2.gz XMPTVXMXPLAEBD-UHFFFAOYSA-N 1 2 341.386 3.152 20 30 EGEDLO CCCCCCCC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1OC ZINC001213895507 1372976125 /nfs/dbraw/zinc/97/61/25/1372976125.db2.gz FCJHKMIQWZZCTN-BRWVUGGUSA-N 1 2 330.488 3.158 20 30 EGEDLO CCCCCCCC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1OC ZINC001213895507 1372976129 /nfs/dbraw/zinc/97/61/29/1372976129.db2.gz FCJHKMIQWZZCTN-BRWVUGGUSA-N 1 2 330.488 3.158 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001127740579 1373171925 /nfs/dbraw/zinc/17/19/25/1373171925.db2.gz JXIFRAFHFNLSBB-KRWDZBQOSA-N 1 2 342.487 3.257 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@]3(C)CCC[C@H]3CC)c2C1 ZINC001128392801 1373261222 /nfs/dbraw/zinc/26/12/22/1373261222.db2.gz UOPXHDQWSRPJEE-XLIONFOSSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@]3(C)CCC[C@H]3CC)c2C1 ZINC001128392801 1373261224 /nfs/dbraw/zinc/26/12/24/1373261224.db2.gz UOPXHDQWSRPJEE-XLIONFOSSA-N 1 2 344.503 3.107 20 30 EGEDLO C=C1CC(C)(C(=O)NCc2cnn3c2C[N@H+](CC/C=C\CC)CC3)C1 ZINC001128489698 1373276869 /nfs/dbraw/zinc/27/68/69/1373276869.db2.gz RWAPKXDQNFRCFQ-WAYWQWQTSA-N 1 2 342.487 3.028 20 30 EGEDLO C=C1CC(C)(C(=O)NCc2cnn3c2C[N@@H+](CC/C=C\CC)CC3)C1 ZINC001128489698 1373276872 /nfs/dbraw/zinc/27/68/72/1373276872.db2.gz RWAPKXDQNFRCFQ-WAYWQWQTSA-N 1 2 342.487 3.028 20 30 EGEDLO Cc1cc(C#N)cc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC001129269657 1373366671 /nfs/dbraw/zinc/36/66/71/1373366671.db2.gz SLGSMPXCXYGCET-INIZCTEOSA-N 1 2 328.803 3.157 20 30 EGEDLO C=CCCC[N@@H+]1Cc2cnn(C3CCN(C(=O)C4(C)CC4)CC3)c2C1 ZINC001130164440 1373466808 /nfs/dbraw/zinc/46/68/08/1373466808.db2.gz IPCNKXOMTSMVIM-UHFFFAOYSA-N 1 2 342.487 3.129 20 30 EGEDLO C=CCCC[N@H+]1Cc2cnn(C3CCN(C(=O)C4(C)CC4)CC3)c2C1 ZINC001130164440 1373466809 /nfs/dbraw/zinc/46/68/09/1373466809.db2.gz IPCNKXOMTSMVIM-UHFFFAOYSA-N 1 2 342.487 3.129 20 30 EGEDLO N#Cc1ccc(OCc2ccccc2)cc1O[C@H]1C[NH2+]CC1(F)F ZINC001218237160 1373581240 /nfs/dbraw/zinc/58/12/40/1373581240.db2.gz SDPCXZFEQOKOHB-KRWDZBQOSA-N 1 2 330.334 3.123 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CC(C)=C(C)C)C[C@@H](C)O2 ZINC001131673254 1373756246 /nfs/dbraw/zinc/75/62/46/1373756246.db2.gz ITMYHBNIKVVGKI-SJLPKXTDSA-N 1 2 340.895 3.177 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC(C)=C(C)C)C[C@@H](C)O2 ZINC001131673254 1373756248 /nfs/dbraw/zinc/75/62/48/1373756248.db2.gz ITMYHBNIKVVGKI-SJLPKXTDSA-N 1 2 340.895 3.177 20 30 EGEDLO C=CCC(C)(C)C(=O)N1C[C@@H](C)O[C@@]2(CC[N@H+](CC(=C)Cl)C2)C1 ZINC001131683547 1373762467 /nfs/dbraw/zinc/76/24/67/1373762467.db2.gz ZCNBLWZTUUYLPZ-CRAIPNDOSA-N 1 2 340.895 3.033 20 30 EGEDLO C=CCC(C)(C)C(=O)N1C[C@@H](C)O[C@@]2(CC[N@@H+](CC(=C)Cl)C2)C1 ZINC001131683547 1373762472 /nfs/dbraw/zinc/76/24/72/1373762472.db2.gz ZCNBLWZTUUYLPZ-CRAIPNDOSA-N 1 2 340.895 3.033 20 30 EGEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)c3cc(F)ccc3F)C[C@H]21 ZINC001221530701 1373777568 /nfs/dbraw/zinc/77/75/68/1373777568.db2.gz WBVVGPUQYKWTBY-SPYBWZPUSA-N 1 2 346.421 3.218 20 30 EGEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@H+]([C@H](C)c3cc(F)ccc3F)C[C@H]21 ZINC001221530701 1373777569 /nfs/dbraw/zinc/77/75/69/1373777569.db2.gz WBVVGPUQYKWTBY-SPYBWZPUSA-N 1 2 346.421 3.218 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001131959412 1375070685 /nfs/dbraw/zinc/07/06/85/1375070685.db2.gz FEYMPMUDRWDNJR-CZUORRHYSA-N 1 2 347.409 3.430 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001131959412 1375070688 /nfs/dbraw/zinc/07/06/88/1375070688.db2.gz FEYMPMUDRWDNJR-CZUORRHYSA-N 1 2 347.409 3.430 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001131973136 1375078701 /nfs/dbraw/zinc/07/87/01/1375078701.db2.gz YLTHASYIVYPCKD-WBVHZDCISA-N 1 2 347.890 3.398 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001131973136 1375078707 /nfs/dbraw/zinc/07/87/07/1375078707.db2.gz YLTHASYIVYPCKD-WBVHZDCISA-N 1 2 347.890 3.398 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001131977447 1375079748 /nfs/dbraw/zinc/07/97/48/1375079748.db2.gz XKIGYNCUZFFBSX-ROUUACIJSA-N 1 2 344.503 3.127 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001131977447 1375079753 /nfs/dbraw/zinc/07/97/53/1375079753.db2.gz XKIGYNCUZFFBSX-ROUUACIJSA-N 1 2 344.503 3.127 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1ccccc1C#N ZINC001132033794 1375108368 /nfs/dbraw/zinc/10/83/68/1375108368.db2.gz LGADXDYGRHRTQT-APWZRJJASA-N 1 2 337.467 3.077 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1ccccc1C#N ZINC001132033794 1375108369 /nfs/dbraw/zinc/10/83/69/1375108369.db2.gz LGADXDYGRHRTQT-APWZRJJASA-N 1 2 337.467 3.077 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1ccncc1Cl ZINC001132034240 1375109964 /nfs/dbraw/zinc/10/99/64/1375109964.db2.gz PKZLGHOBRHMQHE-ZBFHGGJFSA-N 1 2 347.890 3.254 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1ccncc1Cl ZINC001132034240 1375109969 /nfs/dbraw/zinc/10/99/69/1375109969.db2.gz PKZLGHOBRHMQHE-ZBFHGGJFSA-N 1 2 347.890 3.254 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC001132045693 1375114639 /nfs/dbraw/zinc/11/46/39/1375114639.db2.gz HMWBFOKYOYAPJH-CZUORRHYSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC001132045693 1375114642 /nfs/dbraw/zinc/11/46/42/1375114642.db2.gz HMWBFOKYOYAPJH-CZUORRHYSA-N 1 2 348.849 3.362 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2coc(C)n2)C1 ZINC001132057637 1375124291 /nfs/dbraw/zinc/12/42/91/1375124291.db2.gz RZDUUDMYZBPJSI-PBHICJAKSA-N 1 2 331.460 3.221 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2coc(C)n2)C1 ZINC001132057637 1375124294 /nfs/dbraw/zinc/12/42/94/1375124294.db2.gz RZDUUDMYZBPJSI-PBHICJAKSA-N 1 2 331.460 3.221 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ncc(CC)o2)C1 ZINC001132067974 1375130107 /nfs/dbraw/zinc/13/01/07/1375130107.db2.gz BYXDEHVPTAEMRE-LSDHHAIUSA-N 1 2 333.476 3.308 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ncc(CC)o2)C1 ZINC001132067974 1375130108 /nfs/dbraw/zinc/13/01/08/1375130108.db2.gz BYXDEHVPTAEMRE-LSDHHAIUSA-N 1 2 333.476 3.308 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc(C)on2)C1 ZINC001132077158 1375134595 /nfs/dbraw/zinc/13/45/95/1375134595.db2.gz GJQBSDAMSIQBAH-FZMZJTMJSA-N 1 2 339.867 3.231 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc(C)on2)C1 ZINC001132077158 1375134597 /nfs/dbraw/zinc/13/45/97/1375134597.db2.gz GJQBSDAMSIQBAH-FZMZJTMJSA-N 1 2 339.867 3.231 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCCc2ncc(C)o2)CC[C@@H]1C ZINC001132087287 1375139392 /nfs/dbraw/zinc/13/93/92/1375139392.db2.gz NXCPAJBRSGNMLQ-DZGCQCFKSA-N 1 2 339.867 3.027 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCCc2ncc(C)o2)CC[C@@H]1C ZINC001132087287 1375139396 /nfs/dbraw/zinc/13/93/96/1375139396.db2.gz NXCPAJBRSGNMLQ-DZGCQCFKSA-N 1 2 339.867 3.027 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1noc(C)n1 ZINC001226434175 1375257388 /nfs/dbraw/zinc/25/73/88/1375257388.db2.gz GCGNPJKELMUXBQ-KBRIMQKVSA-N 1 2 346.475 3.224 20 30 EGEDLO CCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001132274553 1375259915 /nfs/dbraw/zinc/25/99/15/1375259915.db2.gz WMAZIDCQCJQANJ-YOEHRIQHSA-N 1 2 343.446 3.357 20 30 EGEDLO CCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001132274553 1375259918 /nfs/dbraw/zinc/25/99/18/1375259918.db2.gz WMAZIDCQCJQANJ-YOEHRIQHSA-N 1 2 343.446 3.357 20 30 EGEDLO C=CCCC(=O)NC1CC[NH+](Cc2ccn(C3CCCC3)n2)CC1 ZINC001226527730 1375275804 /nfs/dbraw/zinc/27/58/04/1375275804.db2.gz MPTIHVRYNSTIGZ-UHFFFAOYSA-N 1 2 330.476 3.045 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCCCOCC)CC[C@H]1C ZINC001132529641 1375443802 /nfs/dbraw/zinc/44/38/02/1375443802.db2.gz PJUUHECHNURCTD-CVEARBPZSA-N 1 2 330.900 3.305 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCCCOCC)CC[C@H]1C ZINC001132529641 1375443805 /nfs/dbraw/zinc/44/38/05/1375443805.db2.gz PJUUHECHNURCTD-CVEARBPZSA-N 1 2 330.900 3.305 20 30 EGEDLO C=C(C)CCC(=O)NC1CC[NH+]([C@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC001227607144 1375452826 /nfs/dbraw/zinc/45/28/26/1375452826.db2.gz LLZKXVKNYKFQOS-CQSZACIVSA-N 1 2 348.491 3.365 20 30 EGEDLO CC1(CC(=O)NC2CC[NH+](CC#Cc3ccccc3Cl)CC2)CC1 ZINC001228379179 1375560590 /nfs/dbraw/zinc/56/05/90/1375560590.db2.gz URKGGMSFPSJEOC-UHFFFAOYSA-N 1 2 344.886 3.462 20 30 EGEDLO CCCCOc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c(F)c1F ZINC001228384769 1375562629 /nfs/dbraw/zinc/56/26/29/1375562629.db2.gz BJIFTDYTJUPUPL-UBUOTEHPSA-N 1 2 339.382 3.135 20 30 EGEDLO CCCCOc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c(F)c1F ZINC001228384769 1375562642 /nfs/dbraw/zinc/56/26/42/1375562642.db2.gz BJIFTDYTJUPUPL-UBUOTEHPSA-N 1 2 339.382 3.135 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2nc3c(o2)CCCC3)CC1 ZINC001228747569 1375660770 /nfs/dbraw/zinc/66/07/70/1375660770.db2.gz CPLAAWPCVREGKF-LSDHHAIUSA-N 1 2 345.487 3.092 20 30 EGEDLO C#CC[C@@H](CC)Oc1ccc2c(c1)[C@H]1OCC[N@@H+](CCC)[C@@H]1CO2 ZINC001230426301 1376026952 /nfs/dbraw/zinc/02/69/52/1376026952.db2.gz FQNXBVPSFZLRAR-XFQXTVEOSA-N 1 2 329.440 3.412 20 30 EGEDLO C#CC[C@@H](CC)Oc1ccc2c(c1)[C@H]1OCC[N@H+](CCC)[C@@H]1CO2 ZINC001230426301 1376026959 /nfs/dbraw/zinc/02/69/59/1376026959.db2.gz FQNXBVPSFZLRAR-XFQXTVEOSA-N 1 2 329.440 3.412 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1)C(=O)CC1CC1 ZINC001230582221 1376084459 /nfs/dbraw/zinc/08/44/59/1376084459.db2.gz AFSPRMFWTUUSFI-SFHVURJKSA-N 1 2 330.859 3.024 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1)C(=O)CC1CC1 ZINC001230582221 1376084462 /nfs/dbraw/zinc/08/44/62/1376084462.db2.gz AFSPRMFWTUUSFI-SFHVURJKSA-N 1 2 330.859 3.024 20 30 EGEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCCc2ccccc2)CC1 ZINC001230591905 1376089948 /nfs/dbraw/zinc/08/99/48/1376089948.db2.gz MHLKCDLLXBNYCA-FQEVSTJZSA-N 1 2 339.483 3.236 20 30 EGEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCCc2ccccc2)CC1 ZINC001230591905 1376089952 /nfs/dbraw/zinc/08/99/52/1376089952.db2.gz MHLKCDLLXBNYCA-FQEVSTJZSA-N 1 2 339.483 3.236 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC001231632617 1376286416 /nfs/dbraw/zinc/28/64/16/1376286416.db2.gz BFOICFGIZYRIHA-INIZCTEOSA-N 1 2 341.411 3.218 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC001231632617 1376286423 /nfs/dbraw/zinc/28/64/23/1376286423.db2.gz BFOICFGIZYRIHA-INIZCTEOSA-N 1 2 341.411 3.218 20 30 EGEDLO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(C#N)c(Cl)c1 ZINC001232117382 1376404153 /nfs/dbraw/zinc/40/41/53/1376404153.db2.gz YOPHNQPMQGHCRQ-ZOBUZTSGSA-N 1 2 332.831 3.375 20 30 EGEDLO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc(C#N)c(Cl)c1 ZINC001232117382 1376404157 /nfs/dbraw/zinc/40/41/57/1376404157.db2.gz YOPHNQPMQGHCRQ-ZOBUZTSGSA-N 1 2 332.831 3.375 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)CC[C@H]21 ZINC001232889144 1376532566 /nfs/dbraw/zinc/53/25/66/1376532566.db2.gz CBHKUMQXMNAIML-NVXWUHKLSA-N 1 2 345.418 3.139 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)CC[C@H]21 ZINC001232889144 1376532570 /nfs/dbraw/zinc/53/25/70/1376532570.db2.gz CBHKUMQXMNAIML-NVXWUHKLSA-N 1 2 345.418 3.139 20 30 EGEDLO COc1cc(OC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)ccn1 ZINC001232892836 1376535480 /nfs/dbraw/zinc/53/54/80/1376535480.db2.gz YLAXIQBUJKOEBJ-UHFFFAOYSA-N 1 2 341.386 3.144 20 30 EGEDLO Cc1ccc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c(C#N)c1 ZINC001232967330 1376550187 /nfs/dbraw/zinc/55/01/87/1376550187.db2.gz ISEPNURYFWCOBW-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1Cc1[nH]ccc1C#N ZINC001233047439 1376560386 /nfs/dbraw/zinc/56/03/86/1376560386.db2.gz ZFPVRZYNZFGZCZ-LESCRADOSA-N 1 2 342.487 3.182 20 30 EGEDLO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1Cc1[nH]ccc1C#N ZINC001233047439 1376560389 /nfs/dbraw/zinc/56/03/89/1376560389.db2.gz ZFPVRZYNZFGZCZ-LESCRADOSA-N 1 2 342.487 3.182 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(C#N)cc2O)CC1(C)C ZINC001233386308 1376634792 /nfs/dbraw/zinc/63/47/92/1376634792.db2.gz OHAJDPJHPIOJEY-UHFFFAOYSA-N 1 2 345.443 3.095 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(C#N)cc2O)CC1(C)C ZINC001233386308 1376634795 /nfs/dbraw/zinc/63/47/95/1376634795.db2.gz OHAJDPJHPIOJEY-UHFFFAOYSA-N 1 2 345.443 3.095 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(F)(F)C(F)F ZINC001134639016 1376637272 /nfs/dbraw/zinc/63/72/72/1376637272.db2.gz WWDDMVWYJCRSMM-NEPJUHHUSA-N 1 2 349.372 3.061 20 30 EGEDLO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3cncc(Cl)n3)C2)cc1 ZINC001233451316 1376649001 /nfs/dbraw/zinc/64/90/01/1376649001.db2.gz GPEKPVDCANQCIZ-INIZCTEOSA-N 1 2 328.803 3.045 20 30 EGEDLO N#Cc1ccc(O[C@H]2CCC[N@H+](Cc3cncc(Cl)n3)C2)cc1 ZINC001233451316 1376649005 /nfs/dbraw/zinc/64/90/05/1376649005.db2.gz GPEKPVDCANQCIZ-INIZCTEOSA-N 1 2 328.803 3.045 20 30 EGEDLO CC[C@H](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001233927613 1376739121 /nfs/dbraw/zinc/73/91/21/1376739121.db2.gz YPZZKRDWVYGDKP-LPHOPBHVSA-N 1 2 330.447 3.146 20 30 EGEDLO CC[C@H](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001233927613 1376739123 /nfs/dbraw/zinc/73/91/23/1376739123.db2.gz YPZZKRDWVYGDKP-LPHOPBHVSA-N 1 2 330.447 3.146 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1cccc(Cl)c1)C(=O)C#CC(C)(C)C ZINC001234196445 1376783738 /nfs/dbraw/zinc/78/37/38/1376783738.db2.gz UASKNWFJRCEDDD-QGZVFWFLSA-N 1 2 332.875 3.422 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1cccc(Cl)c1)C(=O)C#CC(C)(C)C ZINC001234196445 1376783740 /nfs/dbraw/zinc/78/37/40/1376783740.db2.gz UASKNWFJRCEDDD-QGZVFWFLSA-N 1 2 332.875 3.422 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1Cl)C(=O)C#CC(C)(C)C ZINC001234194712 1376784127 /nfs/dbraw/zinc/78/41/27/1376784127.db2.gz GDQYFGGBYUOXNC-INIZCTEOSA-N 1 2 332.875 3.422 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1Cl)C(=O)C#CC(C)(C)C ZINC001234194712 1376784132 /nfs/dbraw/zinc/78/41/32/1376784132.db2.gz GDQYFGGBYUOXNC-INIZCTEOSA-N 1 2 332.875 3.422 20 30 EGEDLO C=CCOC(=O)N1CC[NH+](Cc2c[nH]c(-c3ccccc3F)c2)CC1 ZINC001235049118 1376842788 /nfs/dbraw/zinc/84/27/88/1376842788.db2.gz VFHNGPRERBLHBT-UHFFFAOYSA-N 1 2 343.402 3.261 20 30 EGEDLO Cc1ccnc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)c1Cl ZINC001235587904 1376877308 /nfs/dbraw/zinc/87/73/08/1376877308.db2.gz JEHSZCGQFONCGG-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ncsc1C(C)C)C1CC1 ZINC001267336669 1377442021 /nfs/dbraw/zinc/44/20/21/1377442021.db2.gz VYVZMSWWTUBEEM-UHFFFAOYSA-N 1 2 327.881 3.213 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ncsc1C(C)C)C1CC1 ZINC001267336669 1377442022 /nfs/dbraw/zinc/44/20/22/1377442022.db2.gz VYVZMSWWTUBEEM-UHFFFAOYSA-N 1 2 327.881 3.213 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1cc2ccccc2[nH]1 ZINC001137317544 1377517842 /nfs/dbraw/zinc/51/78/42/1377517842.db2.gz KCIXIJPYVBXLKB-IBGZPJMESA-N 1 2 336.439 3.203 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1cc2ccccc2[nH]1 ZINC001137317544 1377517845 /nfs/dbraw/zinc/51/78/45/1377517845.db2.gz KCIXIJPYVBXLKB-IBGZPJMESA-N 1 2 336.439 3.203 20 30 EGEDLO CCCCCCCC(=O)N1CC2(C1)CC[N@H+](Cc1nccn1CC)C2 ZINC001269075680 1377537445 /nfs/dbraw/zinc/53/74/45/1377537445.db2.gz NUTJUIOQZFWDJA-UHFFFAOYSA-N 1 2 346.519 3.298 20 30 EGEDLO CCCCCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nccn1CC)C2 ZINC001269075680 1377537449 /nfs/dbraw/zinc/53/74/49/1377537449.db2.gz NUTJUIOQZFWDJA-UHFFFAOYSA-N 1 2 346.519 3.298 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(Cl)nc1F)C2 ZINC001137473977 1377554158 /nfs/dbraw/zinc/55/41/58/1377554158.db2.gz CVPFUJIZMZPSJK-RHSMWYFYSA-N 1 2 340.826 3.200 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(Cl)nc1F)C2 ZINC001137473977 1377554159 /nfs/dbraw/zinc/55/41/59/1377554159.db2.gz CVPFUJIZMZPSJK-RHSMWYFYSA-N 1 2 340.826 3.200 20 30 EGEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1Cc1c(C)cccc1C ZINC001137849071 1377629886 /nfs/dbraw/zinc/62/98/86/1377629886.db2.gz CDGSMERCDIFLQL-LJQANCHMSA-N 1 2 340.471 3.217 20 30 EGEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1Cc1c(C)cccc1C ZINC001137849071 1377629891 /nfs/dbraw/zinc/62/98/91/1377629891.db2.gz CDGSMERCDIFLQL-LJQANCHMSA-N 1 2 340.471 3.217 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccnc(Cl)c1)CCO2 ZINC001138818470 1377790814 /nfs/dbraw/zinc/79/08/14/1377790814.db2.gz OTVDLEUPCQVNJF-SJLPKXTDSA-N 1 2 336.863 3.309 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1ccnc(Cl)c1)CCO2 ZINC001138818470 1377790817 /nfs/dbraw/zinc/79/08/17/1377790817.db2.gz OTVDLEUPCQVNJF-SJLPKXTDSA-N 1 2 336.863 3.309 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3c[nH]c(-c4ccccc4)n3)CC2)cc1 ZINC001139554464 1377906116 /nfs/dbraw/zinc/90/61/16/1377906116.db2.gz CANWLKBWOZGNSY-UHFFFAOYSA-N 1 2 343.434 3.271 20 30 EGEDLO COc1cccnc1O[C@@H]1CC[N@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139692822 1377936374 /nfs/dbraw/zinc/93/63/74/1377936374.db2.gz KWLXFLJEYMMVFV-CQSZACIVSA-N 1 2 343.814 3.269 20 30 EGEDLO COc1cccnc1O[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139692822 1377936375 /nfs/dbraw/zinc/93/63/75/1377936375.db2.gz KWLXFLJEYMMVFV-CQSZACIVSA-N 1 2 343.814 3.269 20 30 EGEDLO N#Cc1cc(F)cc(CN2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC001139875057 1377969926 /nfs/dbraw/zinc/96/99/26/1377969926.db2.gz SLPXPVRJLAIMRW-UHFFFAOYSA-N 1 2 327.378 3.154 20 30 EGEDLO CCOc1cccc(N2CC[NH+](Cc3cc(F)cc(C#N)c3)CC2)c1 ZINC001139876166 1377969939 /nfs/dbraw/zinc/96/99/39/1377969939.db2.gz NSCXCTNLCGJGIL-UHFFFAOYSA-N 1 2 339.414 3.418 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)c1Cl ZINC001140810302 1378148138 /nfs/dbraw/zinc/14/81/38/1378148138.db2.gz ABKLUJVFQRZVSY-MRXNPFEDSA-N 1 2 331.847 3.189 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCCC2)c1Cl ZINC001140810302 1378148144 /nfs/dbraw/zinc/14/81/44/1378148144.db2.gz ABKLUJVFQRZVSY-MRXNPFEDSA-N 1 2 331.847 3.189 20 30 EGEDLO CC(C)(C)CC(=O)NC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC001141167651 1378257082 /nfs/dbraw/zinc/25/70/82/1378257082.db2.gz UJJVLGKUFZTXJV-UHFFFAOYSA-N 1 2 331.435 3.214 20 30 EGEDLO N#Cc1ccccc1OC1C[NH+](Cc2ccc(-c3ncccn3)cc2)C1 ZINC001141192278 1378265119 /nfs/dbraw/zinc/26/51/19/1378265119.db2.gz UCBLUDVEVUYHMM-UHFFFAOYSA-N 1 2 342.402 3.278 20 30 EGEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC2(C[C@H]2CCO)CC1 ZINC001141809769 1378381332 /nfs/dbraw/zinc/38/13/32/1378381332.db2.gz BXDLJVXGDFXSFN-OAHLLOKOSA-N 1 2 349.272 3.305 20 30 EGEDLO CSc1nc(C[NH+]2CCC(Oc3ccccn3)CC2)ccc1C#N ZINC001141939184 1378396213 /nfs/dbraw/zinc/39/62/13/1378396213.db2.gz MMDGYRKNPYLQAM-UHFFFAOYSA-N 1 2 340.452 3.114 20 30 EGEDLO CN(C(=O)OC(C)(C)C)C1C[NH+](Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142912030 1378508002 /nfs/dbraw/zinc/50/80/02/1378508002.db2.gz RWZWOGSKCFKQJO-UHFFFAOYSA-N 1 2 340.427 3.091 20 30 EGEDLO CC(=O)N1CCCCC12CC[NH+](Cc1c(F)ccc(C#N)c1F)CC2 ZINC001143170688 1378553101 /nfs/dbraw/zinc/55/31/01/1378553101.db2.gz JOQJCXQMBFNZMF-UHFFFAOYSA-N 1 2 347.409 3.203 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](Oc3cccnc3)C2)c1F ZINC001143172765 1378553371 /nfs/dbraw/zinc/55/33/71/1378553371.db2.gz CUUGJMADGQEFIQ-OAHLLOKOSA-N 1 2 329.350 3.275 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](Oc3cccnc3)C2)c1F ZINC001143172765 1378553374 /nfs/dbraw/zinc/55/33/74/1378553374.db2.gz CUUGJMADGQEFIQ-OAHLLOKOSA-N 1 2 329.350 3.275 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C(C)(C)c2cccc(F)c2)C1 ZINC001282744552 1378595389 /nfs/dbraw/zinc/59/53/89/1378595389.db2.gz PEYLRTCYUFAOEF-CYBMUJFWSA-N 1 2 338.854 3.292 20 30 EGEDLO CCCCC(=O)N1CC2(C1)CC[N@H+](CC#Cc1ccccc1Cl)C2 ZINC001147021922 1378956534 /nfs/dbraw/zinc/95/65/34/1378956534.db2.gz RZEZXQKNXWJRLO-UHFFFAOYSA-N 1 2 344.886 3.416 20 30 EGEDLO CCCCC(=O)N1CC2(C1)CC[N@@H+](CC#Cc1ccccc1Cl)C2 ZINC001147021922 1378956536 /nfs/dbraw/zinc/95/65/36/1378956536.db2.gz RZEZXQKNXWJRLO-UHFFFAOYSA-N 1 2 344.886 3.416 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C3CC3)o1)C2 ZINC001148131321 1379122610 /nfs/dbraw/zinc/12/26/10/1379122610.db2.gz SNLTVVZEOOFKGU-HNNXBMFYSA-N 1 2 343.471 3.189 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C3CC3)o1)C2 ZINC001148131321 1379122611 /nfs/dbraw/zinc/12/26/11/1379122611.db2.gz SNLTVVZEOOFKGU-HNNXBMFYSA-N 1 2 343.471 3.189 20 30 EGEDLO Cc1[nH+]c[nH]c1CSCCNC(=O)c1cccc([C@@H](C)C#N)c1 ZINC001148623578 1379227877 /nfs/dbraw/zinc/22/78/77/1379227877.db2.gz XKJLVQIMYFESFU-LBPRGKRZSA-N 1 2 328.441 3.008 20 30 EGEDLO CCCCCCCCC(=O)N1CC2(C1)CC[N@H+](Cc1ccon1)C2 ZINC001148666442 1379237132 /nfs/dbraw/zinc/23/71/32/1379237132.db2.gz SWWUVOZXKNCUBR-UHFFFAOYSA-N 1 2 333.476 3.460 20 30 EGEDLO CCCCCCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1ccon1)C2 ZINC001148666442 1379237135 /nfs/dbraw/zinc/23/71/35/1379237135.db2.gz SWWUVOZXKNCUBR-UHFFFAOYSA-N 1 2 333.476 3.460 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)c2c3ccccc3nc3c2CCCC3)CC1 ZINC001150699365 1379598486 /nfs/dbraw/zinc/59/84/86/1379598486.db2.gz QGRRZZQMFTVYHF-UHFFFAOYSA-N 1 2 335.451 3.057 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccccc1C ZINC001151637657 1379751932 /nfs/dbraw/zinc/75/19/32/1379751932.db2.gz MASOMTBWPUXVRU-CQSZACIVSA-N 1 2 339.277 3.344 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1C ZINC001151637657 1379751938 /nfs/dbraw/zinc/75/19/38/1379751938.db2.gz MASOMTBWPUXVRU-CQSZACIVSA-N 1 2 339.277 3.344 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1c(C)coc1C ZINC001153171819 1380030468 /nfs/dbraw/zinc/03/04/68/1380030468.db2.gz SAPUYAABGAWXHS-GFCCVEGCSA-N 1 2 343.265 3.245 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1c(C)coc1C ZINC001153171819 1380030471 /nfs/dbraw/zinc/03/04/71/1380030471.db2.gz SAPUYAABGAWXHS-GFCCVEGCSA-N 1 2 343.265 3.245 20 30 EGEDLO CC[N@H+](Cc1nc(C)sc1C)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153281139 1380048725 /nfs/dbraw/zinc/04/87/25/1380048725.db2.gz HBXPKZPCOUWOAT-CYBMUJFWSA-N 1 2 335.517 3.136 20 30 EGEDLO CC[N@@H+](Cc1nc(C)sc1C)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153281139 1380048730 /nfs/dbraw/zinc/04/87/30/1380048730.db2.gz HBXPKZPCOUWOAT-CYBMUJFWSA-N 1 2 335.517 3.136 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1csc(C)n1 ZINC001154609466 1380315683 /nfs/dbraw/zinc/31/56/83/1380315683.db2.gz HEFBGNLWBZVJBC-OAHLLOKOSA-N 1 2 335.517 3.362 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1csc(C)n1 ZINC001154609466 1380315684 /nfs/dbraw/zinc/31/56/84/1380315684.db2.gz HEFBGNLWBZVJBC-OAHLLOKOSA-N 1 2 335.517 3.362 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H](C)[N@H+](CC)Cc2noc3c2CCCC3)C1 ZINC001155132635 1380415152 /nfs/dbraw/zinc/41/51/52/1380415152.db2.gz QSQOKMGPNICIAH-OAHLLOKOSA-N 1 2 345.487 3.236 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2noc3c2CCCC3)C1 ZINC001155132635 1380415153 /nfs/dbraw/zinc/41/51/53/1380415153.db2.gz QSQOKMGPNICIAH-OAHLLOKOSA-N 1 2 345.487 3.236 20 30 EGEDLO COC(=O)[C@H]1CN(c2[nH+]ccc3ccc(C#N)cc32)Cc2ccccc21 ZINC001157170389 1380793745 /nfs/dbraw/zinc/79/37/45/1380793745.db2.gz DOEUXHFRPNVRDK-IBGZPJMESA-N 1 2 343.386 3.383 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)C1=CCCC1 ZINC001157796259 1381035571 /nfs/dbraw/zinc/03/55/71/1381035571.db2.gz DIYIDSBCUSLSGL-OAHLLOKOSA-N 1 2 341.293 3.318 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C1=CCCC1 ZINC001157796259 1381035579 /nfs/dbraw/zinc/03/55/79/1381035579.db2.gz DIYIDSBCUSLSGL-OAHLLOKOSA-N 1 2 341.293 3.318 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@@H](C)c1ncccn1 ZINC001158005228 1381100012 /nfs/dbraw/zinc/10/00/12/1381100012.db2.gz JZNMSPTYENJVDI-DLBZAZTESA-N 1 2 344.503 3.453 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@@H](C)c1ncccn1 ZINC001158005228 1381100017 /nfs/dbraw/zinc/10/00/17/1381100017.db2.gz JZNMSPTYENJVDI-DLBZAZTESA-N 1 2 344.503 3.453 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@@H](C)c1ncccn1 ZINC001158418829 1381239449 /nfs/dbraw/zinc/23/94/49/1381239449.db2.gz AMEKVUUHPGKIJD-DLBZAZTESA-N 1 2 330.476 3.207 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@@H](C)c1ncccn1 ZINC001158418829 1381239455 /nfs/dbraw/zinc/23/94/55/1381239455.db2.gz AMEKVUUHPGKIJD-DLBZAZTESA-N 1 2 330.476 3.207 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@H](C)c1nnc(C)o1 ZINC001158425655 1381241123 /nfs/dbraw/zinc/24/11/23/1381241123.db2.gz AMJLZHMUGAYKED-GDBMZVCRSA-N 1 2 334.464 3.108 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@H](C)c1nnc(C)o1 ZINC001158425655 1381241129 /nfs/dbraw/zinc/24/11/29/1381241129.db2.gz AMJLZHMUGAYKED-GDBMZVCRSA-N 1 2 334.464 3.108 20 30 EGEDLO COc1cc2c[nH+]c(NC=CC(=O)C(F)(F)F)cc2cc1OC ZINC001158558193 1381297985 /nfs/dbraw/zinc/29/79/85/1381297985.db2.gz UQLCAWYNDOIVAC-ONEGZZNKSA-N 1 2 326.274 3.309 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)[C@H](C)C2CC2)CC1 ZINC001159717888 1381878858 /nfs/dbraw/zinc/87/88/58/1381878858.db2.gz WIFWJYRMHCSFNY-CYBMUJFWSA-N 1 2 341.293 3.080 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)[C@H](C)C2CC2)CC1 ZINC001159717888 1381878862 /nfs/dbraw/zinc/87/88/62/1381878862.db2.gz WIFWJYRMHCSFNY-CYBMUJFWSA-N 1 2 341.293 3.080 20 30 EGEDLO C/C=C(\C)C(=O)NCCC1=CC[N@H+](Cc2cc(F)ccc2C#N)CC1 ZINC001159752478 1381889203 /nfs/dbraw/zinc/88/92/03/1381889203.db2.gz IGSGEPCGSUSJSA-CRKCGEKBSA-N 1 2 341.430 3.302 20 30 EGEDLO C/C=C(\C)C(=O)NCCC1=CC[N@@H+](Cc2cc(F)ccc2C#N)CC1 ZINC001159752478 1381889206 /nfs/dbraw/zinc/88/92/06/1381889206.db2.gz IGSGEPCGSUSJSA-CRKCGEKBSA-N 1 2 341.430 3.302 20 30 EGEDLO CC(C)C#CC(=O)NCCC1=CC[N@H+](C/C(Cl)=C/Cl)CC1 ZINC001160055293 1381983054 /nfs/dbraw/zinc/98/30/54/1381983054.db2.gz YETLDYOSKJBNSZ-PTNGSMBKSA-N 1 2 329.271 3.103 20 30 EGEDLO CC(C)C#CC(=O)NCCC1=CC[N@@H+](C/C(Cl)=C/Cl)CC1 ZINC001160055293 1381983057 /nfs/dbraw/zinc/98/30/57/1381983057.db2.gz YETLDYOSKJBNSZ-PTNGSMBKSA-N 1 2 329.271 3.103 20 30 EGEDLO Cc1nc(C[N@H+]2CC=C(CCNC(=O)C#CC(C)(C)C)CC2)cs1 ZINC001160084625 1381992583 /nfs/dbraw/zinc/99/25/83/1381992583.db2.gz UOAGABVMLKXIMH-UHFFFAOYSA-N 1 2 345.512 3.139 20 30 EGEDLO Cc1nc(C[N@@H+]2CC=C(CCNC(=O)C#CC(C)(C)C)CC2)cs1 ZINC001160084625 1381992592 /nfs/dbraw/zinc/99/25/92/1381992592.db2.gz UOAGABVMLKXIMH-UHFFFAOYSA-N 1 2 345.512 3.139 20 30 EGEDLO C=CCC(CC=C)C(=O)NCCC1=CC[N@H+](Cc2cc(C)on2)CC1 ZINC001160229460 1382041494 /nfs/dbraw/zinc/04/14/94/1382041494.db2.gz WDXGKQMZAKAMKT-UHFFFAOYSA-N 1 2 343.471 3.390 20 30 EGEDLO C=CCC(CC=C)C(=O)NCCC1=CC[N@@H+](Cc2cc(C)on2)CC1 ZINC001160229460 1382041498 /nfs/dbraw/zinc/04/14/98/1382041498.db2.gz WDXGKQMZAKAMKT-UHFFFAOYSA-N 1 2 343.471 3.390 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@H+](Cc2ncc(CC)o2)CC1 ZINC001160242444 1382046846 /nfs/dbraw/zinc/04/68/46/1382046846.db2.gz RHNMGMUNGKPXHL-UHFFFAOYSA-N 1 2 345.487 3.478 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@@H+](Cc2ncc(CC)o2)CC1 ZINC001160242444 1382046848 /nfs/dbraw/zinc/04/68/48/1382046848.db2.gz RHNMGMUNGKPXHL-UHFFFAOYSA-N 1 2 345.487 3.478 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@H+](Cc2nccn2CC)CC1 ZINC001160857035 1382217967 /nfs/dbraw/zinc/21/79/67/1382217967.db2.gz USPBMCYHPBZTPS-UHFFFAOYSA-N 1 2 344.503 3.144 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2nccn2CC)CC1 ZINC001160857035 1382217970 /nfs/dbraw/zinc/21/79/70/1382217970.db2.gz USPBMCYHPBZTPS-UHFFFAOYSA-N 1 2 344.503 3.144 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@H+](Cc2cc(C)on2)CC1 ZINC001160962089 1382252471 /nfs/dbraw/zinc/25/24/71/1382252471.db2.gz YYYDIXFYKQVPDU-OAHLLOKOSA-N 1 2 331.460 3.224 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@@H+](Cc2cc(C)on2)CC1 ZINC001160962089 1382252475 /nfs/dbraw/zinc/25/24/75/1382252475.db2.gz YYYDIXFYKQVPDU-OAHLLOKOSA-N 1 2 331.460 3.224 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2cscn2)CC1 ZINC001160990656 1382263147 /nfs/dbraw/zinc/26/31/47/1382263147.db2.gz FIWAIYVXOAUJJU-HNNXBMFYSA-N 1 2 333.501 3.384 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2cscn2)CC1 ZINC001160990656 1382263148 /nfs/dbraw/zinc/26/31/48/1382263148.db2.gz FIWAIYVXOAUJJU-HNNXBMFYSA-N 1 2 333.501 3.384 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@@H+]([C@H](C)c2nc(C)no2)CC1 ZINC001160990465 1382263704 /nfs/dbraw/zinc/26/37/04/1382263704.db2.gz AUADYELFULIXJN-HUUCEWRRSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@H+]([C@H](C)c2nc(C)no2)CC1 ZINC001160990465 1382263708 /nfs/dbraw/zinc/26/37/08/1382263708.db2.gz AUADYELFULIXJN-HUUCEWRRSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nc(C)no2)CC1 ZINC001161121429 1382307903 /nfs/dbraw/zinc/30/79/03/1382307903.db2.gz HSMGRMBKOKNGGF-IFXJQAMLSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@H+]([C@@H](C)c2nc(C)no2)CC1 ZINC001161121429 1382307904 /nfs/dbraw/zinc/30/79/04/1382307904.db2.gz HSMGRMBKOKNGGF-IFXJQAMLSA-N 1 2 346.475 3.180 20 30 EGEDLO N#CCc1cc[nH+]c(NCc2cc(-c3ccc4c(c3)OCO4)no2)c1 ZINC001162621306 1382813054 /nfs/dbraw/zinc/81/30/54/1382813054.db2.gz UXUCVVKMIWANPD-UHFFFAOYSA-N 1 2 334.335 3.143 20 30 EGEDLO N#CCc1cc[nH+]c(NCCc2cc(O)ccc2Br)c1 ZINC001163155920 1382979798 /nfs/dbraw/zinc/97/97/98/1382979798.db2.gz DSMYTISCYGBSIQ-UHFFFAOYSA-N 1 2 332.201 3.270 20 30 EGEDLO ON=C(Nc1ccn2cc[nH+]c2c1)c1ccc(OC(F)(F)F)cc1 ZINC001163765848 1383119993 /nfs/dbraw/zinc/11/99/93/1383119993.db2.gz LJMXJNBIYCOMCM-UHFFFAOYSA-N 1 2 336.273 3.481 20 30 EGEDLO C=CCN1C(=O)CC[C@]12CCCN(c1[nH+]ccc(F)c1C)[C@H]2CC ZINC001165596515 1383314079 /nfs/dbraw/zinc/31/40/79/1383314079.db2.gz MBOYUXFTZITRPT-LPHOPBHVSA-N 1 2 331.435 3.455 20 30 EGEDLO C=C1CC(C)(C(=O)NCCC[NH2+]Cc2noc(C3CCCCC3)n2)C1 ZINC001166248757 1383406760 /nfs/dbraw/zinc/40/67/60/1383406760.db2.gz COKPOTLYOBOJQF-UHFFFAOYSA-N 1 2 346.475 3.070 20 30 EGEDLO CCOC(=O)c1c[nH]c2cc(N(CCC#N)C3CCCC3)[nH+]cc21 ZINC001166534331 1383433611 /nfs/dbraw/zinc/43/36/11/1383433611.db2.gz YZEARHNHDOOHLE-UHFFFAOYSA-N 1 2 326.400 3.402 20 30 EGEDLO CC(C)CC(=O)NC1CCN(c2[nH+]ccc3ccc(C#N)cc32)CC1 ZINC001166647859 1383452706 /nfs/dbraw/zinc/45/27/06/1383452706.db2.gz DLFUFOQNXADDOZ-UHFFFAOYSA-N 1 2 336.439 3.238 20 30 EGEDLO CCCCCCCCC[N@@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC001168370268 1383886807 /nfs/dbraw/zinc/88/68/07/1383886807.db2.gz JAARBCVHEPWKEC-CVEARBPZSA-N 1 2 327.465 3.164 20 30 EGEDLO CCCCCCCCC[N@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC001168370268 1383886810 /nfs/dbraw/zinc/88/68/10/1383886810.db2.gz JAARBCVHEPWKEC-CVEARBPZSA-N 1 2 327.465 3.164 20 30 EGEDLO CO/N=C/c1cc(NCCc2cn3ccccc3[nH+]2)cc(F)c1F ZINC001169009642 1384088185 /nfs/dbraw/zinc/08/81/85/1384088185.db2.gz VOBCKOQBMJINHE-UFFVCSGVSA-N 1 2 330.338 3.247 20 30 EGEDLO N#CCc1ccc[nH+]c1NC1CCN(c2ncccc2Cl)CC1 ZINC001169163403 1384117462 /nfs/dbraw/zinc/11/74/62/1384117462.db2.gz MKISBLKXXRMMEE-UHFFFAOYSA-N 1 2 327.819 3.277 20 30 EGEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(N[C@@H](C)c2cnccn2)[nH+]1 ZINC001169529456 1384156835 /nfs/dbraw/zinc/15/68/35/1384156835.db2.gz KLNLATYUQIBNLR-SWSVCVSMSA-N 1 2 345.472 3.234 20 30 EGEDLO C=C[C@H]1C[C@@]1(Nc1cc2c3c(c1)CCC[NH+]3CCC2)C(=O)OCC ZINC001170921454 1384411431 /nfs/dbraw/zinc/41/14/31/1384411431.db2.gz GEBWBAMUDGDVJX-JXFKEZNVSA-N 1 2 326.440 3.305 20 30 EGEDLO C=C[C@@H]1C[C@]1(Nc1cc2c3c(c1)CCC[NH+]3CCC2)C(=O)OCC ZINC001170921456 1384411480 /nfs/dbraw/zinc/41/14/80/1384411480.db2.gz GEBWBAMUDGDVJX-OXQOHEQNSA-N 1 2 326.440 3.305 20 30 EGEDLO CCCCCCCCC(=O)NCCC[NH2+]Cc1noc(C2CC2)n1 ZINC001171826135 1384652219 /nfs/dbraw/zinc/65/22/19/1384652219.db2.gz NCDAFGFKJVJPPI-UHFFFAOYSA-N 1 2 336.480 3.294 20 30 EGEDLO CCCC[C@](C)(F)C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001316983521 1384741758 /nfs/dbraw/zinc/74/17/58/1384741758.db2.gz XVSCBKXKFSIAPZ-ICSRJNTNSA-N 1 2 348.437 3.286 20 30 EGEDLO CCCC[C@](C)(F)C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001316983521 1384741761 /nfs/dbraw/zinc/74/17/61/1384741761.db2.gz XVSCBKXKFSIAPZ-ICSRJNTNSA-N 1 2 348.437 3.286 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([NH2+][C@@H](C)c2nc(CCCC)no2)C1 ZINC001317063823 1384834408 /nfs/dbraw/zinc/83/44/08/1384834408.db2.gz GPCWCZBMYWICRF-GJZGRUSLSA-N 1 2 348.491 3.266 20 30 EGEDLO C=CCOC1CCC(N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)CC1 ZINC001173326123 1384959270 /nfs/dbraw/zinc/95/92/70/1384959270.db2.gz VLKUJVTULQIMOI-OFLPRAFFSA-N 1 2 328.447 3.306 20 30 EGEDLO C=CCOC1CCC([N@H+]2CC[C@@H](N3CCCC3)C(F)(F)C2)CC1 ZINC001173326123 1384959273 /nfs/dbraw/zinc/95/92/73/1384959273.db2.gz VLKUJVTULQIMOI-OFLPRAFFSA-N 1 2 328.447 3.306 20 30 EGEDLO C=CCOC1CCC([N@@H+]2CC[C@@H](N3CCCC3)C(F)(F)C2)CC1 ZINC001173326123 1384959274 /nfs/dbraw/zinc/95/92/74/1384959274.db2.gz VLKUJVTULQIMOI-OFLPRAFFSA-N 1 2 328.447 3.306 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H](C)OC1CCCCCC1 ZINC001317487279 1385185576 /nfs/dbraw/zinc/18/55/76/1385185576.db2.gz JIWCKKHLBAQPJF-OAHLLOKOSA-N 1 2 330.900 3.305 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H](C)OC1CCCCCC1 ZINC001317487279 1385185577 /nfs/dbraw/zinc/18/55/77/1385185577.db2.gz JIWCKKHLBAQPJF-OAHLLOKOSA-N 1 2 330.900 3.305 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc2ccccc2n1C)C1CC1 ZINC001317556741 1385327036 /nfs/dbraw/zinc/32/70/36/1385327036.db2.gz OEXUCKYXMBFMDR-UHFFFAOYSA-N 1 2 331.847 3.125 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc2ccccc2n1C)C1CC1 ZINC001317556741 1385327040 /nfs/dbraw/zinc/32/70/40/1385327040.db2.gz OEXUCKYXMBFMDR-UHFFFAOYSA-N 1 2 331.847 3.125 20 30 EGEDLO N#Cc1cnn(-c2ccccc2)c1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175707189 1385379900 /nfs/dbraw/zinc/37/99/00/1385379900.db2.gz YZCXVYIYBDBYNF-UHFFFAOYSA-N 1 2 344.300 3.484 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)COc2cc(C)ccc2C)C1 ZINC001317955031 1385584973 /nfs/dbraw/zinc/58/49/73/1385584973.db2.gz BSBLGMRYPAEHHD-MRXNPFEDSA-N 1 2 336.863 3.015 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)COc2cc(C)ccc2C)C1 ZINC001317955031 1385584978 /nfs/dbraw/zinc/58/49/78/1385584978.db2.gz BSBLGMRYPAEHHD-MRXNPFEDSA-N 1 2 336.863 3.015 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccns3)C2)CCCC1 ZINC001317957104 1385587415 /nfs/dbraw/zinc/58/74/15/1385587415.db2.gz RYIIBJFPGHNCBK-OAHLLOKOSA-N 1 2 333.501 3.360 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccns3)C2)CCCC1 ZINC001317957104 1385587417 /nfs/dbraw/zinc/58/74/17/1385587417.db2.gz RYIIBJFPGHNCBK-OAHLLOKOSA-N 1 2 333.501 3.360 20 30 EGEDLO CC(C)(C)c1ccc2c(c1)CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C2 ZINC001318022701 1385609947 /nfs/dbraw/zinc/60/99/47/1385609947.db2.gz HGYMOMFKBKEXOW-NRFANRHFSA-N 1 2 339.483 3.151 20 30 EGEDLO CC(C)(C)c1ccc2c(c1)CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C2 ZINC001318022701 1385609949 /nfs/dbraw/zinc/60/99/49/1385609949.db2.gz HGYMOMFKBKEXOW-NRFANRHFSA-N 1 2 339.483 3.151 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2sccc2Cl)C1 ZINC001318318756 1385650889 /nfs/dbraw/zinc/65/08/89/1385650889.db2.gz AAECBQALEMJKQY-CHWSQXEVSA-N 1 2 342.892 3.073 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2sccc2Cl)C1 ZINC001318318756 1385650894 /nfs/dbraw/zinc/65/08/94/1385650894.db2.gz AAECBQALEMJKQY-CHWSQXEVSA-N 1 2 342.892 3.073 20 30 EGEDLO Cc1cccc(C2=CC[N@@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)c1C ZINC001176856940 1385725482 /nfs/dbraw/zinc/72/54/82/1385725482.db2.gz RXMXQJFMFDXQGP-OAQYLSRUSA-N 1 2 345.446 3.491 20 30 EGEDLO Cc1cccc(C2=CC[N@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)c1C ZINC001176856940 1385725484 /nfs/dbraw/zinc/72/54/84/1385725484.db2.gz RXMXQJFMFDXQGP-OAQYLSRUSA-N 1 2 345.446 3.491 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@@H+](Cc3cc(C)sc3C)[C@@H]2C1 ZINC001176954967 1385754136 /nfs/dbraw/zinc/75/41/36/1385754136.db2.gz LDWLDCHMMYHQED-MSOLQXFVSA-N 1 2 348.512 3.133 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@H+](Cc3cc(C)sc3C)[C@@H]2C1 ZINC001176954967 1385754138 /nfs/dbraw/zinc/75/41/38/1385754138.db2.gz LDWLDCHMMYHQED-MSOLQXFVSA-N 1 2 348.512 3.133 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]2OCC[N@@H+](Cc3cccc(C)c3)[C@@H]2C1 ZINC001177073774 1385796234 /nfs/dbraw/zinc/79/62/34/1385796234.db2.gz SJGGTOAPXGFPLF-UXHICEINSA-N 1 2 342.483 3.153 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]2OCC[N@H+](Cc3cccc(C)c3)[C@@H]2C1 ZINC001177073774 1385796238 /nfs/dbraw/zinc/79/62/38/1385796238.db2.gz SJGGTOAPXGFPLF-UXHICEINSA-N 1 2 342.483 3.153 20 30 EGEDLO C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)C(F)C(F)(F)F ZINC001177323543 1385914439 /nfs/dbraw/zinc/91/44/39/1385914439.db2.gz ARCVFNVGGHEORS-CQSZACIVSA-N 1 2 338.389 3.461 20 30 EGEDLO C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](F)C(F)(F)F ZINC001177323543 1385914447 /nfs/dbraw/zinc/91/44/47/1385914447.db2.gz ARCVFNVGGHEORS-CQSZACIVSA-N 1 2 338.389 3.461 20 30 EGEDLO CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccco2)cn1 ZINC001177616200 1386008209 /nfs/dbraw/zinc/00/82/09/1386008209.db2.gz LZOCLSGPYIYBNN-INIZCTEOSA-N 1 2 338.411 3.079 20 30 EGEDLO CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccco2)cn1 ZINC001177616200 1386008214 /nfs/dbraw/zinc/00/82/14/1386008214.db2.gz LZOCLSGPYIYBNN-INIZCTEOSA-N 1 2 338.411 3.079 20 30 EGEDLO CC[NH+](CC)[C@H](C(=O)N1C[C@@H](F)C[C@H]1C#N)c1ccccc1Cl ZINC001182220166 1387123470 /nfs/dbraw/zinc/12/34/70/1387123470.db2.gz JNLBXCQQYCERPF-XEZPLFJOSA-N 1 2 337.826 3.185 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([NH2+][C@H](C)c2nc(C(C)C)no2)C1 ZINC001182825336 1387230648 /nfs/dbraw/zinc/23/06/48/1387230648.db2.gz QQHBQNDIAAAQGW-GDBMZVCRSA-N 1 2 346.475 3.213 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC001182893877 1387240997 /nfs/dbraw/zinc/24/09/97/1387240997.db2.gz NPHASHOEBNYYGG-ZIAGYGMSSA-N 1 2 348.491 3.221 20 30 EGEDLO Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)cc1C#N ZINC001336597651 1389123968 /nfs/dbraw/zinc/12/39/68/1389123968.db2.gz AFTDGXAJRKDSIP-GOSISDBHSA-N 1 2 339.826 3.307 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C1(c2ccc(F)cc2)CCC1 ZINC001329500900 1389132746 /nfs/dbraw/zinc/13/27/46/1389132746.db2.gz NENIDGTZDRNNTK-CQSZACIVSA-N 1 2 338.854 3.436 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C1(c2ccc(F)cc2)CCC1 ZINC001329500900 1389132748 /nfs/dbraw/zinc/13/27/48/1389132748.db2.gz NENIDGTZDRNNTK-CQSZACIVSA-N 1 2 338.854 3.436 20 30 EGEDLO C=C1CCN(c2nnc([C@@H](C)[N@H+](C)Cc3ccccc3)n2C)CC1 ZINC001338305328 1389627626 /nfs/dbraw/zinc/62/76/26/1389627626.db2.gz VQTCWPQDMVPBAV-MRXNPFEDSA-N 1 2 325.460 3.165 20 30 EGEDLO C=C1CCN(c2nnc([C@@H](C)[N@@H+](C)Cc3ccccc3)n2C)CC1 ZINC001338305328 1389627627 /nfs/dbraw/zinc/62/76/27/1389627627.db2.gz VQTCWPQDMVPBAV-MRXNPFEDSA-N 1 2 325.460 3.165 20 30 EGEDLO N#CCc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)cc1 ZINC001338793618 1389767222 /nfs/dbraw/zinc/76/72/22/1389767222.db2.gz RWZZQRKFBNRMKN-IBGZPJMESA-N 1 2 334.423 3.141 20 30 EGEDLO N#CCc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)cc1 ZINC001338793618 1389767225 /nfs/dbraw/zinc/76/72/25/1389767225.db2.gz RWZZQRKFBNRMKN-IBGZPJMESA-N 1 2 334.423 3.141 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)[C@@H](C)CCSC ZINC001338895726 1389810126 /nfs/dbraw/zinc/81/01/26/1389810126.db2.gz LBHHPOSZFDMTQS-LSDHHAIUSA-N 1 2 337.537 3.199 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)[C@@H](C)CCSC ZINC001338895726 1389810132 /nfs/dbraw/zinc/81/01/32/1389810132.db2.gz LBHHPOSZFDMTQS-LSDHHAIUSA-N 1 2 337.537 3.199 20 30 EGEDLO C=CCCCCCN(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001339750901 1390129594 /nfs/dbraw/zinc/12/95/94/1390129594.db2.gz UHHLQSOWBBQDGJ-UHFFFAOYSA-N 1 2 344.507 3.091 20 30 EGEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@H]1CCC ZINC001340329870 1390271782 /nfs/dbraw/zinc/27/17/82/1390271782.db2.gz LQKQWCUUGMEECC-SJORKVTESA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@H]1CCC ZINC001340329870 1390271785 /nfs/dbraw/zinc/27/17/85/1390271785.db2.gz LQKQWCUUGMEECC-SJORKVTESA-N 1 2 347.507 3.015 20 30 EGEDLO C=C1CCN(c2nnc([C@@H]3CCCC[N@@H+]3C)n2CCCOCC)CC1 ZINC001342360998 1390604812 /nfs/dbraw/zinc/60/48/12/1390604812.db2.gz CKSBKTIXEJTGLW-KRWDZBQOSA-N 1 2 347.507 3.018 20 30 EGEDLO C=C1CCN(c2nnc([C@@H]3CCCC[N@H+]3C)n2CCCOCC)CC1 ZINC001342360998 1390604814 /nfs/dbraw/zinc/60/48/14/1390604814.db2.gz CKSBKTIXEJTGLW-KRWDZBQOSA-N 1 2 347.507 3.018 20 30 EGEDLO CC(C)[N@@H+]1CCC[C@H]1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 ZINC001343273381 1390703964 /nfs/dbraw/zinc/70/39/64/1390703964.db2.gz HIRFRORVMYSUTB-OCCSQVGLSA-N 1 2 331.416 3.484 20 30 EGEDLO CC(C)[N@H+]1CCC[C@H]1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 ZINC001343273381 1390703966 /nfs/dbraw/zinc/70/39/66/1390703966.db2.gz HIRFRORVMYSUTB-OCCSQVGLSA-N 1 2 331.416 3.484 20 30 EGEDLO C=CCC[C@H]1CCCN1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC001345840821 1390888623 /nfs/dbraw/zinc/88/86/23/1390888623.db2.gz IDMXFQSMNJYSCV-INIZCTEOSA-N 1 2 344.459 3.189 20 30 EGEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)c1ccc(C)cc1 ZINC001345994959 1390899517 /nfs/dbraw/zinc/89/95/17/1390899517.db2.gz ZNRHVFLHMXMRHC-UHFFFAOYSA-N 1 2 336.443 3.255 20 30 EGEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)C1CCC(C)CC1 ZINC001345994917 1390899544 /nfs/dbraw/zinc/89/95/44/1390899544.db2.gz YNNWRFIGLYRAKE-UHFFFAOYSA-N 1 2 342.491 3.193 20 30 EGEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)C1CCC1 ZINC001347643513 1391105234 /nfs/dbraw/zinc/10/52/34/1391105234.db2.gz DADWKIMMKLUQFC-UHFFFAOYSA-N 1 2 344.507 3.016 20 30 EGEDLO CC(C)C(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001479904507 1392470956 /nfs/dbraw/zinc/47/09/56/1392470956.db2.gz OIMHPHRTLUEJCU-KRWDZBQOSA-N 1 2 345.462 3.460 20 30 EGEDLO CC(C)C(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001479904507 1392470959 /nfs/dbraw/zinc/47/09/59/1392470959.db2.gz OIMHPHRTLUEJCU-KRWDZBQOSA-N 1 2 345.462 3.460 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001481017579 1393093673 /nfs/dbraw/zinc/09/36/73/1393093673.db2.gz ILUOJPDOWOKEOL-GFCCVEGCSA-N 1 2 330.806 3.259 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001481017579 1393093676 /nfs/dbraw/zinc/09/36/76/1393093676.db2.gz ILUOJPDOWOKEOL-GFCCVEGCSA-N 1 2 330.806 3.259 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)CCc2ccccc2)C1 ZINC001490456796 1394233367 /nfs/dbraw/zinc/23/33/67/1394233367.db2.gz WGOGDDZDMPBPOK-NRFANRHFSA-N 1 2 347.462 3.272 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)CCc2ccccc2)C1 ZINC001490456796 1394233371 /nfs/dbraw/zinc/23/33/71/1394233371.db2.gz WGOGDDZDMPBPOK-NRFANRHFSA-N 1 2 347.462 3.272 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1c[nH]nc1C1CCCCC1 ZINC001485370269 1395848867 /nfs/dbraw/zinc/84/88/67/1395848867.db2.gz LDQXPNDXYNKDPF-CYBMUJFWSA-N 1 2 338.883 3.260 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1c[nH]nc1C1CCCCC1 ZINC001485370269 1395848873 /nfs/dbraw/zinc/84/88/73/1395848873.db2.gz LDQXPNDXYNKDPF-CYBMUJFWSA-N 1 2 338.883 3.260 20 30 EGEDLO C[C@H](NC(=O)CC1CCCC1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001485488013 1395974270 /nfs/dbraw/zinc/97/42/70/1395974270.db2.gz GZLUGJRPUPCFNW-AWEZNQCLSA-N 1 2 343.446 3.214 20 30 EGEDLO CCCC(CCC)C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001692327681 1405946136 /nfs/dbraw/zinc/94/61/36/1405946136.db2.gz HYRCZGSUTOEJPT-UHFFFAOYSA-N 1 2 345.462 3.462 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)CC(C)(C)C)C1 ZINC001698576714 1406185526 /nfs/dbraw/zinc/18/55/26/1406185526.db2.gz MEXTYNUJXNSGSD-CYBMUJFWSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)CC(C)(C)C)C1 ZINC001698576714 1406185530 /nfs/dbraw/zinc/18/55/30/1406185530.db2.gz MEXTYNUJXNSGSD-CYBMUJFWSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)CCC(F)(F)F)C1 ZINC001732037020 1428259533 /nfs/dbraw/zinc/25/95/33/1428259533.db2.gz YZIXVVLHPVUTJT-GFCCVEGCSA-N 1 2 326.790 3.394 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)CCC(F)(F)F)C1 ZINC001732037020 1428259535 /nfs/dbraw/zinc/25/95/35/1428259535.db2.gz YZIXVVLHPVUTJT-GFCCVEGCSA-N 1 2 326.790 3.394 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cc(C)cc(C)n2)C1 ZINC001732038182 1428261726 /nfs/dbraw/zinc/26/17/26/1428261726.db2.gz CGWSNIPXAQCJOR-INIZCTEOSA-N 1 2 335.879 3.377 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cc(C)cc(C)n2)C1 ZINC001732038182 1428261729 /nfs/dbraw/zinc/26/17/29/1428261729.db2.gz CGWSNIPXAQCJOR-INIZCTEOSA-N 1 2 335.879 3.377 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)Cc2ccc(F)cc2)C1 ZINC001732040542 1428268118 /nfs/dbraw/zinc/26/81/18/1428268118.db2.gz FMKGIAVLVRNFTO-KRWDZBQOSA-N 1 2 338.854 3.434 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)Cc2ccc(F)cc2)C1 ZINC001732040542 1428268119 /nfs/dbraw/zinc/26/81/19/1428268119.db2.gz FMKGIAVLVRNFTO-KRWDZBQOSA-N 1 2 338.854 3.434 20 30 EGEDLO CCCC1(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)CCC1 ZINC001732130555 1428378094 /nfs/dbraw/zinc/37/80/94/1428378094.db2.gz DHGOVTDXLFSOHO-UHFFFAOYSA-N 1 2 343.446 3.216 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)CCCc2ccccn2)C1 ZINC001732186262 1428436017 /nfs/dbraw/zinc/43/60/17/1428436017.db2.gz RPOGBSXGMVSLGE-KRWDZBQOSA-N 1 2 335.879 3.080 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)CCCc2ccccn2)C1 ZINC001732186262 1428436018 /nfs/dbraw/zinc/43/60/18/1428436018.db2.gz RPOGBSXGMVSLGE-KRWDZBQOSA-N 1 2 335.879 3.080 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCCc1ccc(F)cc1 ZINC001699461924 1412817232 /nfs/dbraw/zinc/81/72/32/1412817232.db2.gz YVOYBLNLVSCGKP-AWEZNQCLSA-N 1 2 326.843 3.337 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCCc1ccc(F)cc1 ZINC001699461924 1412817235 /nfs/dbraw/zinc/81/72/35/1412817235.db2.gz YVOYBLNLVSCGKP-AWEZNQCLSA-N 1 2 326.843 3.337 20 30 EGEDLO N#Cc1cccc(C[N@H+]2Cc3ccc(CNC(=O)CC4CC4)cc3C2)c1 ZINC001700251837 1413698465 /nfs/dbraw/zinc/69/84/65/1413698465.db2.gz WAGAJJSNLDQDIC-UHFFFAOYSA-N 1 2 345.446 3.490 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2Cc3ccc(CNC(=O)CC4CC4)cc3C2)c1 ZINC001700251837 1413698468 /nfs/dbraw/zinc/69/84/68/1413698468.db2.gz WAGAJJSNLDQDIC-UHFFFAOYSA-N 1 2 345.446 3.490 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)C1C(C)(C)C1(C)C ZINC001732579128 1428782681 /nfs/dbraw/zinc/78/26/81/1428782681.db2.gz YLQWMOQGYHYDCJ-UHFFFAOYSA-N 1 2 345.462 3.270 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)C1C(C)(C)C1(C)C ZINC001732579128 1428782684 /nfs/dbraw/zinc/78/26/84/1428782684.db2.gz YLQWMOQGYHYDCJ-UHFFFAOYSA-N 1 2 345.462 3.270 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)c1ccccc1OC ZINC001700487294 1414134470 /nfs/dbraw/zinc/13/44/70/1414134470.db2.gz PSIBPPNJXDLKPB-CQSZACIVSA-N 1 2 338.879 3.162 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C(C)(C)c1ccccc1OC ZINC001700487294 1414134476 /nfs/dbraw/zinc/13/44/76/1414134476.db2.gz PSIBPPNJXDLKPB-CQSZACIVSA-N 1 2 338.879 3.162 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001732599546 1428846088 /nfs/dbraw/zinc/84/60/88/1428846088.db2.gz ANWKDNYVYFFBKH-CYBMUJFWSA-N 1 2 326.843 3.147 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001732599546 1428846094 /nfs/dbraw/zinc/84/60/94/1428846094.db2.gz ANWKDNYVYFFBKH-CYBMUJFWSA-N 1 2 326.843 3.147 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCOc2ccc(C)c(C)c2)C1 ZINC001713082730 1417628633 /nfs/dbraw/zinc/62/86/33/1417628633.db2.gz ARLRIPLBVSTMPU-MRXNPFEDSA-N 1 2 336.863 3.015 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCOc2ccc(C)c(C)c2)C1 ZINC001713082730 1417628636 /nfs/dbraw/zinc/62/86/36/1417628636.db2.gz ARLRIPLBVSTMPU-MRXNPFEDSA-N 1 2 336.863 3.015 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnc(CC(C)C)s1 ZINC001713498281 1418212958 /nfs/dbraw/zinc/21/29/58/1418212958.db2.gz OSFUUMYNVOSIGY-UHFFFAOYSA-N 1 2 329.897 3.146 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnc(CC(C)C)s1 ZINC001713498281 1418212963 /nfs/dbraw/zinc/21/29/63/1418212963.db2.gz OSFUUMYNVOSIGY-UHFFFAOYSA-N 1 2 329.897 3.146 20 30 EGEDLO C[C@@H](CC(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1)C1CC1 ZINC001713566097 1418378041 /nfs/dbraw/zinc/37/80/41/1418378041.db2.gz MEBJBFFFMSSBFC-HNNXBMFYSA-N 1 2 325.456 3.075 20 30 EGEDLO C[C@@H](CC(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1)C1CC1 ZINC001713566097 1418378046 /nfs/dbraw/zinc/37/80/46/1418378046.db2.gz MEBJBFFFMSSBFC-HNNXBMFYSA-N 1 2 325.456 3.075 20 30 EGEDLO CCC[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001713781683 1418598171 /nfs/dbraw/zinc/59/81/71/1418598171.db2.gz IIGSLMKKCKRNSN-RHSMWYFYSA-N 1 2 331.435 3.214 20 30 EGEDLO CCC[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001713781683 1418598173 /nfs/dbraw/zinc/59/81/73/1418598173.db2.gz IIGSLMKKCKRNSN-RHSMWYFYSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)COc2cccc(Cl)c2)C1 ZINC001713793562 1418612710 /nfs/dbraw/zinc/61/27/10/1418612710.db2.gz NXHFKHIQPFAJJI-AWEZNQCLSA-N 1 2 343.254 3.052 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)COc2cccc(Cl)c2)C1 ZINC001713793562 1418612712 /nfs/dbraw/zinc/61/27/12/1418612712.db2.gz NXHFKHIQPFAJJI-AWEZNQCLSA-N 1 2 343.254 3.052 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@](C)(CNC(=O)CC(C)C)C1 ZINC001716891057 1421016006 /nfs/dbraw/zinc/01/60/06/1421016006.db2.gz HZRCTYZZGZAEDB-HNNXBMFYSA-N 1 2 331.298 3.159 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@](C)(CNC(=O)CC(C)C)C1 ZINC001716891057 1421016008 /nfs/dbraw/zinc/01/60/08/1421016008.db2.gz HZRCTYZZGZAEDB-HNNXBMFYSA-N 1 2 331.298 3.159 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCOc1cc(C)cc(C)c1 ZINC001717474350 1421407963 /nfs/dbraw/zinc/40/79/63/1421407963.db2.gz LBVALQGRTRTGGJ-MRXNPFEDSA-N 1 2 338.879 3.261 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCOc1cc(C)cc(C)c1 ZINC001717474350 1421407964 /nfs/dbraw/zinc/40/79/64/1421407964.db2.gz LBVALQGRTRTGGJ-MRXNPFEDSA-N 1 2 338.879 3.261 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)c1ccc(F)cc1 ZINC001725188267 1425727257 /nfs/dbraw/zinc/72/72/57/1425727257.db2.gz JZRIPRZBKBMACF-CYBMUJFWSA-N 1 2 326.843 3.292 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C(C)(C)c1ccc(F)cc1 ZINC001725188267 1425727260 /nfs/dbraw/zinc/72/72/60/1425727260.db2.gz JZRIPRZBKBMACF-CYBMUJFWSA-N 1 2 326.843 3.292 20 30 EGEDLO Cc1cc(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)cc(C)c1F ZINC001731795850 1427948512 /nfs/dbraw/zinc/94/85/12/1427948512.db2.gz YDURACIJNQVHHA-UHFFFAOYSA-N 1 2 339.414 3.176 20 30 EGEDLO Cc1cc(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)cc(C)c1F ZINC001731795850 1427948517 /nfs/dbraw/zinc/94/85/17/1427948517.db2.gz YDURACIJNQVHHA-UHFFFAOYSA-N 1 2 339.414 3.176 20 30 EGEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)C1(F)CCCCC1 ZINC001731870497 1428125601 /nfs/dbraw/zinc/12/56/01/1428125601.db2.gz DUKWDEIDCUEVPB-UHFFFAOYSA-N 1 2 349.288 3.396 20 30 EGEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)C1(F)CCCCC1 ZINC001731870497 1428125606 /nfs/dbraw/zinc/12/56/06/1428125606.db2.gz DUKWDEIDCUEVPB-UHFFFAOYSA-N 1 2 349.288 3.396 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1CCc2cc(C)ccc2O1)C1CC1 ZINC001731878456 1428145506 /nfs/dbraw/zinc/14/55/06/1428145506.db2.gz KKZMJAODYYWCCM-SFHVURJKSA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1CCc2cc(C)ccc2O1)C1CC1 ZINC001731878456 1428145508 /nfs/dbraw/zinc/14/55/08/1428145508.db2.gz KKZMJAODYYWCCM-SFHVURJKSA-N 1 2 348.874 3.022 20 30 EGEDLO CC#CCCCC(=O)N(C)C1CC[NH+]([C@H](C)c2nnc(C)s2)CC1 ZINC001752304670 1440168645 /nfs/dbraw/zinc/16/86/45/1440168645.db2.gz UPZKQRIVFFQYFF-CQSZACIVSA-N 1 2 348.516 3.024 20 30 EGEDLO CCCN(C(=O)CC)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001752430406 1440177714 /nfs/dbraw/zinc/17/77/14/1440177714.db2.gz CGXAHOPPESUSMX-UHFFFAOYSA-N 1 2 331.435 3.310 20 30 EGEDLO Cc1cccc(Cl)c1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC(C)C ZINC001752535125 1440194219 /nfs/dbraw/zinc/19/42/19/1440194219.db2.gz ZRTRFGQNVLESMQ-CALCHBBNSA-N 1 2 344.886 3.483 20 30 EGEDLO Cc1cccc(Cl)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC(C)C ZINC001752535125 1440194220 /nfs/dbraw/zinc/19/42/20/1440194220.db2.gz ZRTRFGQNVLESMQ-CALCHBBNSA-N 1 2 344.886 3.483 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)[NH2+][C@@H](C)c2nnc(CC)o2)CCCCC1 ZINC001752921555 1440248814 /nfs/dbraw/zinc/24/88/14/1440248814.db2.gz UEHGQMRVQLSZPQ-CABCVRRESA-N 1 2 348.491 3.314 20 30 EGEDLO C=CC(C)(C)C(=O)NCC[N@@H+](C)Cc1coc(-c2ccc(F)cc2)n1 ZINC001753059599 1440282902 /nfs/dbraw/zinc/28/29/02/1440282902.db2.gz OCSPIRPFSILTBJ-UHFFFAOYSA-N 1 2 345.418 3.241 20 30 EGEDLO C=CC(C)(C)C(=O)NCC[N@H+](C)Cc1coc(-c2ccc(F)cc2)n1 ZINC001753059599 1440282903 /nfs/dbraw/zinc/28/29/03/1440282903.db2.gz OCSPIRPFSILTBJ-UHFFFAOYSA-N 1 2 345.418 3.241 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCC[N@H+](C)[C@H](C)c1nc(-c2ccco2)no1 ZINC001753062876 1440284142 /nfs/dbraw/zinc/28/41/42/1440284142.db2.gz AQEITMXHYXHLNU-FZKQIMNGSA-N 1 2 346.431 3.041 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCC[N@@H+](C)[C@H](C)c1nc(-c2ccco2)no1 ZINC001753062876 1440284143 /nfs/dbraw/zinc/28/41/43/1440284143.db2.gz AQEITMXHYXHLNU-FZKQIMNGSA-N 1 2 346.431 3.041 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC[N@@H+]1Cc1nc2c(o1)CCCC2 ZINC001753111377 1440308730 /nfs/dbraw/zinc/30/87/30/1440308730.db2.gz HRMLROJSAVOSAG-FOIQADDNSA-N 1 2 345.487 3.236 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC[N@H+]1Cc1nc2c(o1)CCCC2 ZINC001753111377 1440308731 /nfs/dbraw/zinc/30/87/31/1440308731.db2.gz HRMLROJSAVOSAG-FOIQADDNSA-N 1 2 345.487 3.236 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)CC[C@H](C)CC ZINC001753113029 1440309650 /nfs/dbraw/zinc/30/96/50/1440309650.db2.gz GDXGIDSRMBCTGS-OCCSQVGLSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)CC[C@H](C)CC ZINC001753113029 1440309651 /nfs/dbraw/zinc/30/96/51/1440309651.db2.gz GDXGIDSRMBCTGS-OCCSQVGLSA-N 1 2 331.298 3.302 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@H]1CC[N@H+](Cc2cc(Cl)sc2Cl)C1 ZINC001753124854 1440314783 /nfs/dbraw/zinc/31/47/83/1440314783.db2.gz IJYSLSXFMKSXJR-NXEZZACHSA-N 1 2 346.283 3.153 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@H]1CC[N@@H+](Cc2cc(Cl)sc2Cl)C1 ZINC001753124854 1440314784 /nfs/dbraw/zinc/31/47/84/1440314784.db2.gz IJYSLSXFMKSXJR-NXEZZACHSA-N 1 2 346.283 3.153 20 30 EGEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)[C@@H]1CCC1(C)C ZINC001753147297 1440325367 /nfs/dbraw/zinc/32/53/67/1440325367.db2.gz ZCIRIVOHXKBRIQ-ZDUSSCGKSA-N 1 2 331.298 3.159 20 30 EGEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)[C@@H]1CCC1(C)C ZINC001753147297 1440325366 /nfs/dbraw/zinc/32/53/66/1440325366.db2.gz ZCIRIVOHXKBRIQ-ZDUSSCGKSA-N 1 2 331.298 3.159 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccc(C)c2cccnc12)C1CC1 ZINC001753156449 1440330963 /nfs/dbraw/zinc/33/09/63/1440330963.db2.gz AYNSLRTVFHPILP-UHFFFAOYSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccc(C)c2cccnc12)C1CC1 ZINC001753156449 1440330964 /nfs/dbraw/zinc/33/09/64/1440330964.db2.gz AYNSLRTVFHPILP-UHFFFAOYSA-N 1 2 343.858 3.490 20 30 EGEDLO C[C@H]1CCCC[C@@H]1C(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1 ZINC001753158926 1440332502 /nfs/dbraw/zinc/33/25/02/1440332502.db2.gz AVKMYEWJADUARE-JXFKEZNVSA-N 1 2 339.483 3.465 20 30 EGEDLO C[C@H]1CCCC[C@@H]1C(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1 ZINC001753158926 1440332503 /nfs/dbraw/zinc/33/25/03/1440332503.db2.gz AVKMYEWJADUARE-JXFKEZNVSA-N 1 2 339.483 3.465 20 30 EGEDLO Cc1cnc(C[NH2+][C@H](CNC(=O)C#CC(C)C)c2ccccc2)s1 ZINC001753298348 1440353074 /nfs/dbraw/zinc/35/30/74/1440353074.db2.gz DQFKXYLXCOMPGM-QGZVFWFLSA-N 1 2 341.480 3.058 20 30 EGEDLO CCCN(C(=O)C#CC(C)C)[C@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC001753316672 1440359972 /nfs/dbraw/zinc/35/99/72/1440359972.db2.gz XXVMANBBWJGTLS-KRWDZBQOSA-N 1 2 348.437 3.437 20 30 EGEDLO CCCN(C(=O)C#CC(C)C)[C@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC001753316672 1440359973 /nfs/dbraw/zinc/35/99/73/1440359973.db2.gz XXVMANBBWJGTLS-KRWDZBQOSA-N 1 2 348.437 3.437 20 30 EGEDLO C=CCC[C@H](C)[NH+]1CC(NC(=O)c2sc(Cl)nc2Cl)C1 ZINC001753400429 1440390985 /nfs/dbraw/zinc/39/09/85/1440390985.db2.gz XQKQDDPOKFMXOB-QMMMGPOBSA-N 1 2 334.272 3.219 20 30 EGEDLO C[C@H](C#N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC001753433345 1440399092 /nfs/dbraw/zinc/39/90/92/1440399092.db2.gz GXPGZHVZGMCQPI-DGCLKSJQSA-N 1 2 340.254 3.186 20 30 EGEDLO C[C@H](C#N)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC001753433345 1440399093 /nfs/dbraw/zinc/39/90/93/1440399093.db2.gz GXPGZHVZGMCQPI-DGCLKSJQSA-N 1 2 340.254 3.186 20 30 EGEDLO C[C@@H](C#N)C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC001753433271 1440399268 /nfs/dbraw/zinc/39/92/68/1440399268.db2.gz FPXJUSLADMPNJV-FZMZJTMJSA-N 1 2 340.254 3.186 20 30 EGEDLO C[C@@H](C#N)C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC001753433271 1440399269 /nfs/dbraw/zinc/39/92/69/1440399269.db2.gz FPXJUSLADMPNJV-FZMZJTMJSA-N 1 2 340.254 3.186 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)C(CC)CC)C1 ZINC001753451270 1440406213 /nfs/dbraw/zinc/40/62/13/1440406213.db2.gz ADHIQZVMXPAJPQ-AWEZNQCLSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)C(CC)CC)C1 ZINC001753451270 1440406214 /nfs/dbraw/zinc/40/62/14/1440406214.db2.gz ADHIQZVMXPAJPQ-AWEZNQCLSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)OCc1ccc(C)cc1 ZINC001753858624 1440510356 /nfs/dbraw/zinc/51/03/56/1440510356.db2.gz JFVJUSUCZBIHHH-MRXNPFEDSA-N 1 2 338.879 3.043 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](C)OCc1ccc(C)cc1 ZINC001753858624 1440510357 /nfs/dbraw/zinc/51/03/57/1440510357.db2.gz JFVJUSUCZBIHHH-MRXNPFEDSA-N 1 2 338.879 3.043 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H](C)C[N@H+](C)Cc1cc(-c2ccco2)on1 ZINC001754323335 1440579048 /nfs/dbraw/zinc/57/90/48/1440579048.db2.gz PBUVRKSEKQVPOQ-KUHUBIRLSA-N 1 2 345.443 3.473 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H](C)C[N@@H+](C)Cc1cc(-c2ccco2)on1 ZINC001754323335 1440579049 /nfs/dbraw/zinc/57/90/49/1440579049.db2.gz PBUVRKSEKQVPOQ-KUHUBIRLSA-N 1 2 345.443 3.473 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H](C)C[N@H+](C)Cc1noc2c1CCCC2 ZINC001754324038 1440579484 /nfs/dbraw/zinc/57/94/84/1440579484.db2.gz XSFDHOUVCKMYKH-IFXJQAMLSA-N 1 2 333.476 3.092 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H](C)C[N@@H+](C)Cc1noc2c1CCCC2 ZINC001754324038 1440579485 /nfs/dbraw/zinc/57/94/85/1440579485.db2.gz XSFDHOUVCKMYKH-IFXJQAMLSA-N 1 2 333.476 3.092 20 30 EGEDLO CC(C)CCCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001754495332 1440612066 /nfs/dbraw/zinc/61/20/66/1440612066.db2.gz JGLKHBMESKQNDP-QGZVFWFLSA-N 1 2 331.435 3.214 20 30 EGEDLO CC(C)CCCC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001754495332 1440612067 /nfs/dbraw/zinc/61/20/67/1440612067.db2.gz JGLKHBMESKQNDP-QGZVFWFLSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C1CCC(C(=O)NCC2([NH2+]Cc3ncc(C4CC4)o3)CC2)CC1 ZINC001754523833 1440620415 /nfs/dbraw/zinc/62/04/15/1440620415.db2.gz KBRMZNZQFNLFDG-UHFFFAOYSA-N 1 2 329.444 3.037 20 30 EGEDLO C=CCC1(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccn2)CCC1 ZINC001754553550 1440630554 /nfs/dbraw/zinc/63/05/54/1440630554.db2.gz CYWXDIYAOKEQRJ-KDURUIRLSA-N 1 2 339.483 3.393 20 30 EGEDLO C=CCC1(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccn2)CCC1 ZINC001754553550 1440630555 /nfs/dbraw/zinc/63/05/55/1440630555.db2.gz CYWXDIYAOKEQRJ-KDURUIRLSA-N 1 2 339.483 3.393 20 30 EGEDLO C=CCCCC(=O)NC[C@]1(C)CCC[N@@H+]([C@@H](C)c2nc(CC)no2)C1 ZINC001754729618 1440678334 /nfs/dbraw/zinc/67/83/34/1440678334.db2.gz NQJNCYFCVGBHKG-KXBFYZLASA-N 1 2 348.491 3.268 20 30 EGEDLO C=CCCCC(=O)NC[C@]1(C)CCC[N@H+]([C@@H](C)c2nc(CC)no2)C1 ZINC001754729618 1440678335 /nfs/dbraw/zinc/67/83/35/1440678335.db2.gz NQJNCYFCVGBHKG-KXBFYZLASA-N 1 2 348.491 3.268 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3Cc2cc(C)on2)CCC1 ZINC001754868283 1440703925 /nfs/dbraw/zinc/70/39/25/1440703925.db2.gz KJKQIVJYTOPHHE-ZWKOTPCHSA-N 1 2 343.471 3.295 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3Cc2cc(C)on2)CCC1 ZINC001754868283 1440703926 /nfs/dbraw/zinc/70/39/26/1440703926.db2.gz KJKQIVJYTOPHHE-ZWKOTPCHSA-N 1 2 343.471 3.295 20 30 EGEDLO C=C(Cl)C[N@@H+](C)Cc1ccccc1CNC(=O)Cc1cscn1 ZINC001754946274 1440713065 /nfs/dbraw/zinc/71/30/65/1440713065.db2.gz CKKGDINEVJCBBN-UHFFFAOYSA-N 1 2 349.887 3.186 20 30 EGEDLO C=C(Cl)C[N@H+](C)Cc1ccccc1CNC(=O)Cc1cscn1 ZINC001754946274 1440713066 /nfs/dbraw/zinc/71/30/66/1440713066.db2.gz CKKGDINEVJCBBN-UHFFFAOYSA-N 1 2 349.887 3.186 20 30 EGEDLO CCCCCCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(C)cc1 ZINC001754973628 1440719143 /nfs/dbraw/zinc/71/91/43/1440719143.db2.gz FRIHYOQWYCOTHU-LJQANCHMSA-N 1 2 332.488 3.396 20 30 EGEDLO CCCCCCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(C)cc1 ZINC001754973628 1440719144 /nfs/dbraw/zinc/71/91/44/1440719144.db2.gz FRIHYOQWYCOTHU-LJQANCHMSA-N 1 2 332.488 3.396 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1COC2(C[NH+](CC3=CCCCC3)C2)C1 ZINC001755064676 1440744803 /nfs/dbraw/zinc/74/48/03/1440744803.db2.gz VOZHQWAHVZYKOY-KRWDZBQOSA-N 1 2 332.488 3.049 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@H](C)CC ZINC001755191179 1440774816 /nfs/dbraw/zinc/77/48/16/1440774816.db2.gz GZXQJMAAZDNGMK-TZMCWYRMSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)C[C@H](C)CC ZINC001755191179 1440774817 /nfs/dbraw/zinc/77/48/17/1440774817.db2.gz GZXQJMAAZDNGMK-TZMCWYRMSA-N 1 2 331.298 3.254 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nc(C)oc1C ZINC001755195690 1440776731 /nfs/dbraw/zinc/77/67/31/1440776731.db2.gz WJAMKKJCCUAELE-INIZCTEOSA-N 1 2 333.476 3.317 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1nc(C)oc1C ZINC001755195690 1440776732 /nfs/dbraw/zinc/77/67/32/1440776732.db2.gz WJAMKKJCCUAELE-INIZCTEOSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C1CCC(C(=O)NC2CC(C[NH2+]CC(F)(F)C(F)F)C2)CC1 ZINC001755216792 1440784096 /nfs/dbraw/zinc/78/40/96/1440784096.db2.gz NQIRBVATMTWWEJ-UHFFFAOYSA-N 1 2 336.373 3.118 20 30 EGEDLO C[C@H](CNC(=O)[C@@H]1C[C@H]1C(C)(C)C)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001755307967 1440811977 /nfs/dbraw/zinc/81/19/77/1440811977.db2.gz PONFFURRCGAVSN-FSPWUOQZSA-N 1 2 345.462 3.316 20 30 EGEDLO C[C@H](CNC(=O)[C@@H]1C[C@H]1C(C)(C)C)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001755307967 1440811978 /nfs/dbraw/zinc/81/19/78/1440811978.db2.gz PONFFURRCGAVSN-FSPWUOQZSA-N 1 2 345.462 3.316 20 30 EGEDLO C=CCC1(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccn(CC)n2)CCCCC1 ZINC001755329323 1440823626 /nfs/dbraw/zinc/82/36/26/1440823626.db2.gz YJNUDPHSHHEJBJ-KRWDZBQOSA-N 1 2 346.519 3.366 20 30 EGEDLO C=CCC1(C(=O)NC[C@H](C)[N@H+](C)Cc2ccn(CC)n2)CCCCC1 ZINC001755329323 1440823627 /nfs/dbraw/zinc/82/36/27/1440823627.db2.gz YJNUDPHSHHEJBJ-KRWDZBQOSA-N 1 2 346.519 3.366 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nnc(CC)o2)CC1(C)C ZINC001755408714 1440845261 /nfs/dbraw/zinc/84/52/61/1440845261.db2.gz UNDHGXQGQGCHSQ-UONOGXRCSA-N 1 2 348.491 3.122 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nnc(CC)o2)CC1(C)C ZINC001755408714 1440845262 /nfs/dbraw/zinc/84/52/62/1440845262.db2.gz UNDHGXQGQGCHSQ-UONOGXRCSA-N 1 2 348.491 3.122 20 30 EGEDLO C=CCCC(=O)N[C@]12CCC[C@H]1[N@H+](Cc1coc(C3CC3)n1)CC2 ZINC001755696859 1440898281 /nfs/dbraw/zinc/89/82/81/1440898281.db2.gz POVXQRKCGMEFAL-APWZRJJASA-N 1 2 329.444 3.131 20 30 EGEDLO C=CCCC(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1coc(C3CC3)n1)CC2 ZINC001755696859 1440898282 /nfs/dbraw/zinc/89/82/82/1440898282.db2.gz POVXQRKCGMEFAL-APWZRJJASA-N 1 2 329.444 3.131 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2F)[C@H]1C ZINC001755718215 1440905991 /nfs/dbraw/zinc/90/59/91/1440905991.db2.gz KRXAYAKRLPNSAP-KBXCAEBGSA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2F)[C@H]1C ZINC001755718215 1440905992 /nfs/dbraw/zinc/90/59/92/1440905992.db2.gz KRXAYAKRLPNSAP-KBXCAEBGSA-N 1 2 334.410 3.093 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)c1nccc2cccnc21)C(C)C ZINC001755812938 1440921554 /nfs/dbraw/zinc/92/15/54/1440921554.db2.gz FGQRAXFEWMNBBF-UHFFFAOYSA-N 1 2 346.862 3.165 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)c1nccc2cccnc21)C(C)C ZINC001755812938 1440921555 /nfs/dbraw/zinc/92/15/55/1440921555.db2.gz FGQRAXFEWMNBBF-UHFFFAOYSA-N 1 2 346.862 3.165 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)[C@@H]1CCO[C@@H](CC)C1)C(C)C ZINC001755817710 1440924637 /nfs/dbraw/zinc/92/46/37/1440924637.db2.gz WBGITPBKXFKVMY-CVEARBPZSA-N 1 2 330.900 3.113 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)[C@@H]1CCO[C@@H](CC)C1)C(C)C ZINC001755817710 1440924638 /nfs/dbraw/zinc/92/46/38/1440924638.db2.gz WBGITPBKXFKVMY-CVEARBPZSA-N 1 2 330.900 3.113 20 30 EGEDLO C#CCC[NH2+]C[C@H](NC(=O)Cc1ccc(C)c(Cl)c1)C(C)(C)C ZINC001755826715 1440927481 /nfs/dbraw/zinc/92/74/81/1440927481.db2.gz WYMAVWOAYBZSDU-KRWDZBQOSA-N 1 2 334.891 3.335 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)[C@@H]1C ZINC001756564013 1441028117 /nfs/dbraw/zinc/02/81/17/1441028117.db2.gz PRKPGFUGORWODU-IRXDYDNUSA-N 1 2 343.471 3.082 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNc1c(C#N)cnc3ccc(C)cc31)CCC2 ZINC000368204221 168324046 /nfs/dbraw/zinc/32/40/46/168324046.db2.gz UEQDBCHOUXFJAS-HNNXBMFYSA-N 1 2 331.423 3.331 20 30 EGEDLO C=CC[NH+](CC=C)CC(=O)Nc1sc2c(c1C(=O)OCC)CCC2 ZINC000098071993 219078947 /nfs/dbraw/zinc/07/89/47/219078947.db2.gz VLQRJAHLWXLUEC-UHFFFAOYSA-N 1 2 348.468 3.026 20 30 EGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000184385383 235383913 /nfs/dbraw/zinc/38/39/13/235383913.db2.gz MZJNUVVKJJQQPU-HNNXBMFYSA-N 1 2 339.464 3.068 20 30 EGEDLO CCc1nn(C)c(Cl)c1C[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000092567637 218150256 /nfs/dbraw/zinc/15/02/56/218150256.db2.gz UJQWOXAFBKQPLM-UHFFFAOYSA-N 1 2 346.862 3.156 20 30 EGEDLO CCc1nn(C)c(Cl)c1C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000092567637 218150259 /nfs/dbraw/zinc/15/02/59/218150259.db2.gz UJQWOXAFBKQPLM-UHFFFAOYSA-N 1 2 346.862 3.156 20 30 EGEDLO C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1c(F)cccc1F ZINC000267713658 251278388 /nfs/dbraw/zinc/27/83/88/251278388.db2.gz UACDNCSYWBDINF-IINYFYTJSA-N 1 2 347.390 3.354 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c(F)c1 ZINC000268705639 252156437 /nfs/dbraw/zinc/15/64/37/252156437.db2.gz SFVOBYKHHLZRDI-AZUAARDMSA-N 1 2 340.398 3.022 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c(F)c1 ZINC000268705639 252156439 /nfs/dbraw/zinc/15/64/39/252156439.db2.gz SFVOBYKHHLZRDI-AZUAARDMSA-N 1 2 340.398 3.022 20 30 EGEDLO COc1ccc(OC)c2c1C[N@@H+]([C@@H](C)c1ccc(C#N)cc1)C[C@H]2O ZINC000118392587 221146154 /nfs/dbraw/zinc/14/61/54/221146154.db2.gz AYTJEEXMTDZXGY-SUMWQHHRSA-N 1 2 338.407 3.186 20 30 EGEDLO COc1ccc(OC)c2c1C[N@H+]([C@@H](C)c1ccc(C#N)cc1)C[C@H]2O ZINC000118392587 221146157 /nfs/dbraw/zinc/14/61/57/221146157.db2.gz AYTJEEXMTDZXGY-SUMWQHHRSA-N 1 2 338.407 3.186 20 30 EGEDLO Cc1nc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)ccc1C#N ZINC000338110727 141095138 /nfs/dbraw/zinc/09/51/38/141095138.db2.gz FTEUNVTVTJIZMF-UHFFFAOYSA-N 1 2 337.770 3.353 20 30 EGEDLO N#Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)s1 ZINC000357963129 141368876 /nfs/dbraw/zinc/36/88/76/141368876.db2.gz GVFJHEVEHQZDJR-UHFFFAOYSA-N 1 2 340.452 3.325 20 30 EGEDLO COc1cccc([C@H](C)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000171707242 144009651 /nfs/dbraw/zinc/00/96/51/144009651.db2.gz LHRKKXXGQNAGEI-KRWDZBQOSA-N 1 2 335.451 3.446 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185328618 144111452 /nfs/dbraw/zinc/11/14/52/144111452.db2.gz BKBPHPAEMVHRPL-LBPRGKRZSA-N 1 2 347.390 3.326 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185328618 144111454 /nfs/dbraw/zinc/11/14/54/144111454.db2.gz BKBPHPAEMVHRPL-LBPRGKRZSA-N 1 2 347.390 3.326 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1F ZINC000341136035 155182209 /nfs/dbraw/zinc/18/22/09/155182209.db2.gz ZHMURWRNIJHVRA-OAHLLOKOSA-N 1 2 325.391 3.072 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1F ZINC000341136035 155182211 /nfs/dbraw/zinc/18/22/11/155182211.db2.gz ZHMURWRNIJHVRA-OAHLLOKOSA-N 1 2 325.391 3.072 20 30 EGEDLO Cc1ccc([C@H](CNc2cc(C)nc(C#N)c2)[NH+]2CCOCC2)cc1 ZINC000341556630 155352261 /nfs/dbraw/zinc/35/22/61/155352261.db2.gz MJAWMSPWXVUVSU-FQEVSTJZSA-N 1 2 336.439 3.056 20 30 EGEDLO COc1ccccc1[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccccn1 ZINC000191498344 153201951 /nfs/dbraw/zinc/20/19/51/153201951.db2.gz LVYMQNFTNLJUHH-FQEVSTJZSA-N 1 2 332.407 3.180 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3ncccc3Cl)CC2)cc1F ZINC000192108264 153242859 /nfs/dbraw/zinc/24/28/59/153242859.db2.gz ZUYUGBOLOSAFMY-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1cccc(C#N)c1F ZINC000337467595 154368046 /nfs/dbraw/zinc/36/80/46/154368046.db2.gz UOAOHAGMMYNEKD-HNNXBMFYSA-N 1 2 339.414 3.349 20 30 EGEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1cccc(C#N)c1F ZINC000337467595 154368050 /nfs/dbraw/zinc/36/80/50/154368050.db2.gz UOAOHAGMMYNEKD-HNNXBMFYSA-N 1 2 339.414 3.349 20 30 EGEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1cccc(C#N)c1 ZINC000078519123 161773224 /nfs/dbraw/zinc/77/32/24/161773224.db2.gz XUAJDRAYSQSABC-UHFFFAOYSA-N 1 2 338.798 3.154 20 30 EGEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1cccc(C#N)c1 ZINC000078519123 161773227 /nfs/dbraw/zinc/77/32/27/161773227.db2.gz XUAJDRAYSQSABC-UHFFFAOYSA-N 1 2 338.798 3.154 20 30 EGEDLO CC(C)[N@H+](Cc1nc(CC(F)(F)F)no1)Cc1ccc(C#N)cc1 ZINC000336879082 163085825 /nfs/dbraw/zinc/08/58/25/163085825.db2.gz LCVKOSUZKDBWLO-UHFFFAOYSA-N 1 2 338.333 3.457 20 30 EGEDLO CC(C)[N@@H+](Cc1nc(CC(F)(F)F)no1)Cc1ccc(C#N)cc1 ZINC000336879082 163085827 /nfs/dbraw/zinc/08/58/27/163085827.db2.gz LCVKOSUZKDBWLO-UHFFFAOYSA-N 1 2 338.333 3.457 20 30 EGEDLO Cc1[nH+]c[nH]c1CNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000359518286 167177522 /nfs/dbraw/zinc/17/75/22/167177522.db2.gz YBLVMGGMWHLDRB-UHFFFAOYSA-N 1 2 331.379 3.263 20 30 EGEDLO C[C@@H](C(=O)NCc1cn2cc(Cl)ccc2[nH+]1)c1cccc(C#N)c1 ZINC000359898733 167261678 /nfs/dbraw/zinc/26/16/78/167261678.db2.gz MREVRNSFMWAPAD-GFCCVEGCSA-N 1 2 338.798 3.279 20 30 EGEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ncc(Cl)cc3Cl)C2)nc1 ZINC000366430575 168120072 /nfs/dbraw/zinc/12/00/72/168120072.db2.gz GMXANRZCUFUXBX-ZDUSSCGKSA-N 1 2 349.221 3.308 20 30 EGEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ncc(Cl)cc3Cl)C2)nc1 ZINC000366430575 168120074 /nfs/dbraw/zinc/12/00/74/168120074.db2.gz GMXANRZCUFUXBX-ZDUSSCGKSA-N 1 2 349.221 3.308 20 30 EGEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000158491656 225026915 /nfs/dbraw/zinc/02/69/15/225026915.db2.gz IWDXGGOMBSZFFD-UHFFFAOYSA-N 1 2 339.826 3.170 20 30 EGEDLO N#Cc1ccc(C[N@@H+](Cc2nccn2CC(F)(F)F)C2CC2)cc1 ZINC000171381611 227052316 /nfs/dbraw/zinc/05/23/16/227052316.db2.gz ZIAYAAJYBQIOMV-UHFFFAOYSA-N 1 2 334.345 3.482 20 30 EGEDLO N#Cc1ccc(C[N@H+](Cc2nccn2CC(F)(F)F)C2CC2)cc1 ZINC000171381611 227052320 /nfs/dbraw/zinc/05/23/20/227052320.db2.gz ZIAYAAJYBQIOMV-UHFFFAOYSA-N 1 2 334.345 3.482 20 30 EGEDLO Cc1cc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000497211933 269914444 /nfs/dbraw/zinc/91/44/44/269914444.db2.gz FGGWZQHZAMMWAR-CABCVRRESA-N 1 2 344.459 3.391 20 30 EGEDLO N#Cc1ccccc1N1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000446839142 269975706 /nfs/dbraw/zinc/97/57/06/269975706.db2.gz PSIPOTCCFYJTKO-UHFFFAOYSA-N 1 2 335.838 3.385 20 30 EGEDLO N#Cc1ccc(OCC[N@H+]2CCOC[C@@H]2c2ccc(F)cc2)cc1 ZINC000451786221 270053607 /nfs/dbraw/zinc/05/36/07/270053607.db2.gz JUCSYXLZHGVULK-LJQANCHMSA-N 1 2 326.371 3.150 20 30 EGEDLO N#Cc1ccc(OCC[N@@H+]2CCOC[C@@H]2c2ccc(F)cc2)cc1 ZINC000451786221 270053609 /nfs/dbraw/zinc/05/36/09/270053609.db2.gz JUCSYXLZHGVULK-LJQANCHMSA-N 1 2 326.371 3.150 20 30 EGEDLO Cc1cc(C#N)ccc1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000178575107 265327544 /nfs/dbraw/zinc/32/75/44/265327544.db2.gz UHYCAPUGUYDIDS-UHFFFAOYSA-N 1 2 330.391 3.042 20 30 EGEDLO COC(=O)c1cccc(C[NH2+]C(C)(C)c2nc(C)c(C)s2)c1C#N ZINC000534471623 270061111 /nfs/dbraw/zinc/06/11/11/270061111.db2.gz VPKHPUABCYHMIY-UHFFFAOYSA-N 1 2 343.452 3.443 20 30 EGEDLO COC(=O)c1cccc(C[N@H+](C)Cc2cccc(N(C)C)c2)c1C#N ZINC000534106408 270061134 /nfs/dbraw/zinc/06/11/34/270061134.db2.gz NVLHBNDJPRFNHZ-UHFFFAOYSA-N 1 2 337.423 3.043 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2cccc(N(C)C)c2)c1C#N ZINC000534106408 270061135 /nfs/dbraw/zinc/06/11/35/270061135.db2.gz NVLHBNDJPRFNHZ-UHFFFAOYSA-N 1 2 337.423 3.043 20 30 EGEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1c[nH+]ccc1OC ZINC000293913150 266048773 /nfs/dbraw/zinc/04/87/73/266048773.db2.gz AMHTXEMLAVISQP-UHFFFAOYSA-N 1 2 338.411 3.084 20 30 EGEDLO CC(C)(C)OC(=O)NCC[C@H]([NH2+]Cc1ccc(C#N)s1)C(F)F ZINC000496511958 266863282 /nfs/dbraw/zinc/86/32/82/266863282.db2.gz JCXKGCSYYLZHIP-LBPRGKRZSA-N 1 2 345.415 3.258 20 30 EGEDLO CCCc1c(NC(=O)C=Cc2c[nH]c[nH+]2)cnn1-c1cccc(C#N)c1 ZINC000492904842 267040500 /nfs/dbraw/zinc/04/05/00/267040500.db2.gz XXFQBQZMFLQAFA-BQYQJAHWSA-N 1 2 346.394 3.071 20 30 EGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCc1ccc(C#N)s1 ZINC000422221590 267258883 /nfs/dbraw/zinc/25/88/83/267258883.db2.gz ZRXAZAWWRHQLCG-OAHLLOKOSA-N 1 2 343.456 3.273 20 30 EGEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc(Br)cc1C#N ZINC000456347815 267259290 /nfs/dbraw/zinc/25/92/90/267259290.db2.gz XKJHMKQAQHKESN-JTQLQIEISA-N 1 2 347.216 3.028 20 30 EGEDLO C[N@H+](CC(=O)Nc1ccccc1)Cc1ccc(C#N)cc1OC(F)F ZINC000437412538 267298849 /nfs/dbraw/zinc/29/88/49/267298849.db2.gz QDYOEGSNQKVHKJ-UHFFFAOYSA-N 1 2 345.349 3.230 20 30 EGEDLO C[N@@H+](CC(=O)Nc1ccccc1)Cc1ccc(C#N)cc1OC(F)F ZINC000437412538 267298850 /nfs/dbraw/zinc/29/88/50/267298850.db2.gz QDYOEGSNQKVHKJ-UHFFFAOYSA-N 1 2 345.349 3.230 20 30 EGEDLO Cc1cc(CNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)cc(C)[nH+]1 ZINC000420860338 267995400 /nfs/dbraw/zinc/99/54/00/267995400.db2.gz MLAVJNCLEGLCGS-LJQANCHMSA-N 1 2 334.423 3.447 20 30 EGEDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)on1 ZINC000441241142 268021644 /nfs/dbraw/zinc/02/16/44/268021644.db2.gz YGKXAZKRQSXHBV-OAHLLOKOSA-N 1 2 335.367 3.242 20 30 EGEDLO Cc1cc([C@H]2CCC[N@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)on1 ZINC000441241142 268021648 /nfs/dbraw/zinc/02/16/48/268021648.db2.gz YGKXAZKRQSXHBV-OAHLLOKOSA-N 1 2 335.367 3.242 20 30 EGEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NCc1ccc(C(C)C)[nH+]c1C ZINC000453108339 268068429 /nfs/dbraw/zinc/06/84/29/268068429.db2.gz KRUXECZFZOEHQR-UHFFFAOYSA-N 1 2 346.438 3.308 20 30 EGEDLO Cn1cc(C[N@@H+]2CCc3c(F)ccc(Br)c3C2)cc1C#N ZINC000449347330 268126732 /nfs/dbraw/zinc/12/67/32/268126732.db2.gz BSRQNUUUXUPMAM-UHFFFAOYSA-N 1 2 348.219 3.357 20 30 EGEDLO Cn1cc(C[N@H+]2CCc3c(F)ccc(Br)c3C2)cc1C#N ZINC000449347330 268126734 /nfs/dbraw/zinc/12/67/34/268126734.db2.gz BSRQNUUUXUPMAM-UHFFFAOYSA-N 1 2 348.219 3.357 20 30 EGEDLO N#Cc1c(F)cccc1C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000489557519 268162288 /nfs/dbraw/zinc/16/22/88/268162288.db2.gz MSXQFKDEIPVISM-YVMONPNESA-N 1 2 349.409 3.169 20 30 EGEDLO N#Cc1cccc(C#N)c1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000302865164 268234847 /nfs/dbraw/zinc/23/48/47/268234847.db2.gz XVRBALOMZWMREQ-UHFFFAOYSA-N 1 2 342.855 3.467 20 30 EGEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c1 ZINC000275532260 268293556 /nfs/dbraw/zinc/29/35/56/268293556.db2.gz FSGOBNKBXJBYDN-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO N#Cc1ccccc1OCC[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000066845603 307363459 /nfs/dbraw/zinc/36/34/59/307363459.db2.gz KWHDJFNWGHCBPY-IBGZPJMESA-N 1 2 326.371 3.150 20 30 EGEDLO N#Cc1ccccc1OCC[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000066845603 307363460 /nfs/dbraw/zinc/36/34/60/307363460.db2.gz KWHDJFNWGHCBPY-IBGZPJMESA-N 1 2 326.371 3.150 20 30 EGEDLO COc1ccc(C[NH2+][C@H](c2nc(C3CC3)no2)C(C)C)cc1C#N ZINC000174389778 533700883 /nfs/dbraw/zinc/70/08/83/533700883.db2.gz KYBDMQFDHUJMPG-INIZCTEOSA-N 1 2 326.400 3.314 20 30 EGEDLO CC(C)(C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000535230364 314033483 /nfs/dbraw/zinc/03/34/83/314033483.db2.gz NWNQVLVKJIHFMC-UHFFFAOYSA-N 1 2 339.483 3.419 20 30 EGEDLO C[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1c(F)cccc1Cl ZINC000540477869 314383163 /nfs/dbraw/zinc/38/31/63/314383163.db2.gz XCQSEVMJEAKPFX-GFCCVEGCSA-N 1 2 345.805 3.318 20 30 EGEDLO Cn1c[nH+]cc1CCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000543410820 314626624 /nfs/dbraw/zinc/62/66/24/314626624.db2.gz ADLFHUVFKWBFBL-UHFFFAOYSA-N 1 2 346.390 3.057 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3cccnc3)o2)c1 ZINC000553886616 315287266 /nfs/dbraw/zinc/28/72/66/315287266.db2.gz OCIHBSTUWAOFIL-QGZVFWFLSA-N 1 2 331.379 3.340 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3cccnc3)o2)c1 ZINC000553886616 315287269 /nfs/dbraw/zinc/28/72/69/315287269.db2.gz OCIHBSTUWAOFIL-QGZVFWFLSA-N 1 2 331.379 3.340 20 30 EGEDLO C[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1ccc(C#N)cn1 ZINC000555669793 315397352 /nfs/dbraw/zinc/39/73/52/315397352.db2.gz DEAVTQQPDQUNJJ-UHFFFAOYSA-N 1 2 349.221 3.331 20 30 EGEDLO C[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1ccc(C#N)cn1 ZINC000555669793 315397354 /nfs/dbraw/zinc/39/73/54/315397354.db2.gz DEAVTQQPDQUNJJ-UHFFFAOYSA-N 1 2 349.221 3.331 20 30 EGEDLO Cc1nnc(NCc2ccc3c(c2)[nH+]c(C2CC2)n3C)c(C#N)c1C ZINC000565227150 316295179 /nfs/dbraw/zinc/29/51/79/316295179.db2.gz RTBIRJWVKFYJAK-UHFFFAOYSA-N 1 2 332.411 3.341 20 30 EGEDLO Cc1ccc(C#N)cc1NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000571579040 317218705 /nfs/dbraw/zinc/21/87/05/317218705.db2.gz GQXZCDDLGTZJAT-LBPRGKRZSA-N 1 2 336.317 3.275 20 30 EGEDLO CCO[C@H](C)c1noc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000172320664 323276392 /nfs/dbraw/zinc/27/63/92/323276392.db2.gz LMXCFABPVTWPBK-CYBMUJFWSA-N 1 2 326.400 3.203 20 30 EGEDLO CCO[C@H](C)c1noc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000172320664 323276397 /nfs/dbraw/zinc/27/63/97/323276397.db2.gz LMXCFABPVTWPBK-CYBMUJFWSA-N 1 2 326.400 3.203 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc(C4CC4)c3)CC2)cc1 ZINC000578904937 325035690 /nfs/dbraw/zinc/03/56/90/325035690.db2.gz VJRGLGFEUNLCSU-UHFFFAOYSA-N 1 2 345.446 3.394 20 30 EGEDLO C[N@@H+](Cc1cc(Br)c2c(c1)OCCO2)CC(C)(C)C#N ZINC000354017265 457012945 /nfs/dbraw/zinc/01/29/45/457012945.db2.gz IHZVOCHDLZNLMV-UHFFFAOYSA-N 1 2 339.233 3.202 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C(F)(F)F)CC1 ZINC000173010644 455219772 /nfs/dbraw/zinc/21/97/72/455219772.db2.gz DRHWPWBOOVROJA-NSHDSACASA-N 1 2 325.334 3.160 20 30 EGEDLO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@H](C)C#N ZINC000594611769 459112478 /nfs/dbraw/zinc/11/24/78/459112478.db2.gz KIFWTPJXNKRYJQ-NSHDSACASA-N 1 2 333.233 3.193 20 30 EGEDLO COC(=O)c1ccc(OCC[N@@H+]2CCC[C@@](C)(C#N)C2)c(Cl)c1 ZINC000612160764 460555771 /nfs/dbraw/zinc/55/57/71/460555771.db2.gz LRCJUVAOQPMQGA-KRWDZBQOSA-N 1 2 336.819 3.131 20 30 EGEDLO COC(=O)c1ccc(OCC[N@H+]2CCC[C@@](C)(C#N)C2)c(Cl)c1 ZINC000612160764 460555777 /nfs/dbraw/zinc/55/57/77/460555777.db2.gz LRCJUVAOQPMQGA-KRWDZBQOSA-N 1 2 336.819 3.131 20 30 EGEDLO CCN(C(=O)C[N@@H+]1CCC[C@](C)(C#N)C1)[C@@H](C)c1ccc(F)cc1 ZINC000612162134 460556079 /nfs/dbraw/zinc/55/60/79/460556079.db2.gz KXTSYYUHMOFSGO-HNAYVOBHSA-N 1 2 331.435 3.361 20 30 EGEDLO CCN(C(=O)C[N@H+]1CCC[C@](C)(C#N)C1)[C@@H](C)c1ccc(F)cc1 ZINC000612162134 460556085 /nfs/dbraw/zinc/55/60/85/460556085.db2.gz KXTSYYUHMOFSGO-HNAYVOBHSA-N 1 2 331.435 3.361 20 30 EGEDLO N#CCC[C@H](C#N)C[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000600761521 460593912 /nfs/dbraw/zinc/59/39/12/460593912.db2.gz ROWYCYVDDALWKO-ABAIWWIYSA-N 1 2 326.227 3.450 20 30 EGEDLO C[C@@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000017701940 453637668 /nfs/dbraw/zinc/63/76/68/453637668.db2.gz OZRQQIHPWFQRCX-SFHVURJKSA-N 1 2 347.462 3.396 20 30 EGEDLO COc1ccc(C[NH+]2CCN(Cc3ccccc3C#N)CC2)cc1F ZINC000025797218 453786653 /nfs/dbraw/zinc/78/66/53/453786653.db2.gz KCKDMBKVUWYRRZ-UHFFFAOYSA-N 1 2 339.414 3.024 20 30 EGEDLO CSc1cccc(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000026323546 453796538 /nfs/dbraw/zinc/79/65/38/453796538.db2.gz ISKDXAPZJLONQR-UHFFFAOYSA-N 1 2 325.437 3.351 20 30 EGEDLO CSc1cccc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000026323546 453796540 /nfs/dbraw/zinc/79/65/40/453796540.db2.gz ISKDXAPZJLONQR-UHFFFAOYSA-N 1 2 325.437 3.351 20 30 EGEDLO C[N@H+](Cc1ccccc1Cl)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000028746157 453824535 /nfs/dbraw/zinc/82/45/35/453824535.db2.gz PMJPYERHWLVULM-GOSISDBHSA-N 1 2 339.826 3.449 20 30 EGEDLO C[N@@H+](Cc1ccccc1Cl)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000028746157 453824536 /nfs/dbraw/zinc/82/45/36/453824536.db2.gz PMJPYERHWLVULM-GOSISDBHSA-N 1 2 339.826 3.449 20 30 EGEDLO C[N@H+](Cc1ccccc1Cl)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000028746161 453824590 /nfs/dbraw/zinc/82/45/90/453824590.db2.gz PMJPYERHWLVULM-SFHVURJKSA-N 1 2 339.826 3.449 20 30 EGEDLO C[N@@H+](Cc1ccccc1Cl)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000028746161 453824591 /nfs/dbraw/zinc/82/45/91/453824591.db2.gz PMJPYERHWLVULM-SFHVURJKSA-N 1 2 339.826 3.449 20 30 EGEDLO COc1ccc([C@@H]([NH2+]Cc2cccc(C#N)c2)c2nccn2C)cc1 ZINC000030650190 453837364 /nfs/dbraw/zinc/83/73/64/453837364.db2.gz OPZJUAQCHYQEQF-LJQANCHMSA-N 1 2 332.407 3.180 20 30 EGEDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000031435542 453847505 /nfs/dbraw/zinc/84/75/05/453847505.db2.gz OGAKIQCJKZHULA-AWEZNQCLSA-N 1 2 332.407 3.348 20 30 EGEDLO C=CC[N@@H+](CCSc1ccc(C)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066560576 453851641 /nfs/dbraw/zinc/85/16/41/453851641.db2.gz SIIGOOXMRSFURJ-MRXNPFEDSA-N 1 2 339.526 3.071 20 30 EGEDLO C=CC[N@H+](CCSc1ccc(C)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066560576 453851642 /nfs/dbraw/zinc/85/16/42/453851642.db2.gz SIIGOOXMRSFURJ-MRXNPFEDSA-N 1 2 339.526 3.071 20 30 EGEDLO Cc1ncsc1C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000066565358 453852258 /nfs/dbraw/zinc/85/22/58/453852258.db2.gz OPBPEOYAQJSXKY-OAHLLOKOSA-N 1 2 342.468 3.219 20 30 EGEDLO Cc1ncsc1C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000066565358 453852261 /nfs/dbraw/zinc/85/22/61/453852261.db2.gz OPBPEOYAQJSXKY-OAHLLOKOSA-N 1 2 342.468 3.219 20 30 EGEDLO CC[NH+](CC)[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccco1 ZINC000067005699 453893201 /nfs/dbraw/zinc/89/32/01/453893201.db2.gz YVEKKSNEPSCLAC-LZNAANCOSA-N 1 2 331.372 3.395 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000190780636 455381105 /nfs/dbraw/zinc/38/11/05/455381105.db2.gz YSDWWYGVRXWINE-ZDUSSCGKSA-N 1 2 332.201 3.269 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000190780636 455381110 /nfs/dbraw/zinc/38/11/10/455381110.db2.gz YSDWWYGVRXWINE-ZDUSSCGKSA-N 1 2 332.201 3.269 20 30 EGEDLO C=CCN(CC=C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000054007054 453905082 /nfs/dbraw/zinc/90/50/82/453905082.db2.gz NSENYLCCJNEQSF-INIZCTEOSA-N 1 2 328.391 3.032 20 30 EGEDLO CC[C@H](CC#N)[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000054183560 453915670 /nfs/dbraw/zinc/91/56/70/453915670.db2.gz XWFVQCLFOWPWPQ-LLVKDONJSA-N 1 2 327.222 3.248 20 30 EGEDLO N#CCc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000067561455 453943592 /nfs/dbraw/zinc/94/35/92/453943592.db2.gz FMLKTFGOCSRLPL-UHFFFAOYSA-N 1 2 349.369 3.399 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccccn2)no1 ZINC000076153949 453972055 /nfs/dbraw/zinc/97/20/55/453972055.db2.gz NHHARLNLUQMROR-WMZOPIPTSA-N 1 2 345.406 3.403 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1nc(-c2ccccn2)no1 ZINC000076153949 453972059 /nfs/dbraw/zinc/97/20/59/453972059.db2.gz NHHARLNLUQMROR-WMZOPIPTSA-N 1 2 345.406 3.403 20 30 EGEDLO N#Cc1ccc(NCc2ccc(N3CCOCC3)[nH+]c2)cc1Cl ZINC000068428650 454026216 /nfs/dbraw/zinc/02/62/16/454026216.db2.gz MDAMUHVPFVWUQT-UHFFFAOYSA-N 1 2 328.803 3.055 20 30 EGEDLO COc1cc(CO[NH+]=C(N)Cc2csc(C)n2)ccc1SC ZINC000068775100 454051644 /nfs/dbraw/zinc/05/16/44/454051644.db2.gz SIPDQRYGBQRAPM-UHFFFAOYSA-N 1 2 337.470 3.214 20 30 EGEDLO CCC[N@H+](Cc1csc(NC(C)=O)n1)Cc1ccc(C#N)cc1 ZINC000056493810 454061648 /nfs/dbraw/zinc/06/16/48/454061648.db2.gz WCKICEGOQPLWPO-UHFFFAOYSA-N 1 2 328.441 3.385 20 30 EGEDLO CCC[N@@H+](Cc1csc(NC(C)=O)n1)Cc1ccc(C#N)cc1 ZINC000056493810 454061651 /nfs/dbraw/zinc/06/16/51/454061651.db2.gz WCKICEGOQPLWPO-UHFFFAOYSA-N 1 2 328.441 3.385 20 30 EGEDLO Cc1ncc(C[N@@H+](C)[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)s1 ZINC000077185256 454071565 /nfs/dbraw/zinc/07/15/65/454071565.db2.gz JZJZGEWXOXHEIC-FVRSWCFKSA-N 1 2 348.516 3.203 20 30 EGEDLO Cc1ncc(C[N@H+](C)[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)s1 ZINC000077185256 454071569 /nfs/dbraw/zinc/07/15/69/454071569.db2.gz JZJZGEWXOXHEIC-FVRSWCFKSA-N 1 2 348.516 3.203 20 30 EGEDLO N#Cc1ccc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000045029821 454134573 /nfs/dbraw/zinc/13/45/73/454134573.db2.gz DKITZUWHDKCBIQ-UHFFFAOYSA-N 1 2 331.379 3.125 20 30 EGEDLO N#CCCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000045943834 454199207 /nfs/dbraw/zinc/19/92/07/454199207.db2.gz RARVJAMBNMIAKK-UHFFFAOYSA-N 1 2 326.227 3.055 20 30 EGEDLO N#CC[N@@H+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C1CCCC1 ZINC000130536229 454204199 /nfs/dbraw/zinc/20/41/99/454204199.db2.gz SYBYJLSCVULOOT-MRXNPFEDSA-N 1 2 326.362 3.377 20 30 EGEDLO N#CC[N@H+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C1CCCC1 ZINC000130536229 454204202 /nfs/dbraw/zinc/20/42/02/454204202.db2.gz SYBYJLSCVULOOT-MRXNPFEDSA-N 1 2 326.362 3.377 20 30 EGEDLO N#Cc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1Cl ZINC000160092996 455428421 /nfs/dbraw/zinc/42/84/21/455428421.db2.gz BYUYYAFVLIPSCG-CQSZACIVSA-N 1 2 341.802 3.007 20 30 EGEDLO C=CC[N@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccccc1F ZINC000131213648 454240514 /nfs/dbraw/zinc/24/05/14/454240514.db2.gz UHNAQOUWNSXPPK-UHFFFAOYSA-N 1 2 347.459 3.307 20 30 EGEDLO C=CC[N@@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccccc1F ZINC000131213648 454240517 /nfs/dbraw/zinc/24/05/17/454240517.db2.gz UHNAQOUWNSXPPK-UHFFFAOYSA-N 1 2 347.459 3.307 20 30 EGEDLO N#Cc1c(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn2ccccc12 ZINC000131521281 454261713 /nfs/dbraw/zinc/26/17/13/454261713.db2.gz YZANMIMLKDEUTJ-UHFFFAOYSA-N 1 2 332.363 3.277 20 30 EGEDLO N#Cc1c(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn2ccccc12 ZINC000131521281 454261717 /nfs/dbraw/zinc/26/17/17/454261717.db2.gz YZANMIMLKDEUTJ-UHFFFAOYSA-N 1 2 332.363 3.277 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000078678091 454297819 /nfs/dbraw/zinc/29/78/19/454297819.db2.gz KMPRKCIEYHQXFW-QGZVFWFLSA-N 1 2 340.471 3.117 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000078678091 454297824 /nfs/dbraw/zinc/29/78/24/454297824.db2.gz KMPRKCIEYHQXFW-QGZVFWFLSA-N 1 2 340.471 3.117 20 30 EGEDLO C[C@H]1C[NH+](CC(=O)Nc2ccccc2SCC#N)C[C@H](C)S1 ZINC000072771329 454338951 /nfs/dbraw/zinc/33/89/51/454338951.db2.gz FESNWLDCFBYRPX-STQMWFEESA-N 1 2 335.498 3.067 20 30 EGEDLO Cc1ncc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000047259304 454346749 /nfs/dbraw/zinc/34/67/49/454346749.db2.gz OTUIBNCVCSMQPA-JTQLQIEISA-N 1 2 348.859 3.436 20 30 EGEDLO Cc1ncc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000047259304 454346753 /nfs/dbraw/zinc/34/67/53/454346753.db2.gz OTUIBNCVCSMQPA-JTQLQIEISA-N 1 2 348.859 3.436 20 30 EGEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)c2nc(-c3ccccc3)no2)cs1 ZINC000072920183 454362839 /nfs/dbraw/zinc/36/28/39/454362839.db2.gz RRJURZDTZPNPML-JTQLQIEISA-N 1 2 343.412 3.094 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000065423350 454564571 /nfs/dbraw/zinc/56/45/71/454564571.db2.gz YMNMNGROGJNXNB-LSDHHAIUSA-N 1 2 336.501 3.151 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000065423350 454564574 /nfs/dbraw/zinc/56/45/74/454564574.db2.gz YMNMNGROGJNXNB-LSDHHAIUSA-N 1 2 336.501 3.151 20 30 EGEDLO Cc1ccccc1[C@H](OC[C@H](O)C[N@H+](C)CCC#N)c1ccccc1 ZINC000122786485 454569422 /nfs/dbraw/zinc/56/94/22/454569422.db2.gz VUAUZDCIDPEEGC-TZIWHRDSSA-N 1 2 338.451 3.307 20 30 EGEDLO Cc1ccccc1[C@H](OC[C@H](O)C[N@@H+](C)CCC#N)c1ccccc1 ZINC000122786485 454569428 /nfs/dbraw/zinc/56/94/28/454569428.db2.gz VUAUZDCIDPEEGC-TZIWHRDSSA-N 1 2 338.451 3.307 20 30 EGEDLO C=CCn1c(SCc2[nH+]ccn2C)nnc1-c1ccccc1OC ZINC000074392770 454574474 /nfs/dbraw/zinc/57/44/74/454574474.db2.gz MUKGNGUWFHPYNT-UHFFFAOYSA-N 1 2 341.440 3.166 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000051557813 454631129 /nfs/dbraw/zinc/63/11/29/454631129.db2.gz QLTWSUUXDLYMOB-LJQANCHMSA-N 1 2 348.462 3.231 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000051557813 454631134 /nfs/dbraw/zinc/63/11/34/454631134.db2.gz QLTWSUUXDLYMOB-LJQANCHMSA-N 1 2 348.462 3.231 20 30 EGEDLO CCOC(=O)Nc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1 ZINC000123398903 454633173 /nfs/dbraw/zinc/63/31/73/454633173.db2.gz SVVJMHJPRPFJLQ-UHFFFAOYSA-N 1 2 335.367 3.386 20 30 EGEDLO C=CCCCCCN(C)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000123452270 454639251 /nfs/dbraw/zinc/63/92/51/454639251.db2.gz YRHJFGOTKNSQDZ-UHFFFAOYSA-N 1 2 340.427 3.016 20 30 EGEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1Cl)C1CC1 ZINC000052210980 454660764 /nfs/dbraw/zinc/66/07/64/454660764.db2.gz HECZMVJDVOFEHW-AEFFLSMTSA-N 1 2 331.847 3.285 20 30 EGEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1Cl)C1CC1 ZINC000052210980 454660767 /nfs/dbraw/zinc/66/07/67/454660767.db2.gz HECZMVJDVOFEHW-AEFFLSMTSA-N 1 2 331.847 3.285 20 30 EGEDLO CC#CCSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000123671075 454663202 /nfs/dbraw/zinc/66/32/02/454663202.db2.gz IAIJQGYVKPKSQU-UHFFFAOYSA-N 1 2 326.469 3.038 20 30 EGEDLO CN(C(=O)C[N@H+](CCC#N)CC1CC1)[C@H]1CCCc2ccccc21 ZINC000081060974 454679209 /nfs/dbraw/zinc/67/92/09/454679209.db2.gz ARZMERZPEIVYGT-IBGZPJMESA-N 1 2 325.456 3.148 20 30 EGEDLO CN(C(=O)C[N@@H+](CCC#N)CC1CC1)[C@H]1CCCc2ccccc21 ZINC000081060974 454679212 /nfs/dbraw/zinc/67/92/12/454679212.db2.gz ARZMERZPEIVYGT-IBGZPJMESA-N 1 2 325.456 3.148 20 30 EGEDLO C[C@@H](CC#N)[N@H+](C)CCC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000161991281 454744020 /nfs/dbraw/zinc/74/40/20/454744020.db2.gz MKQQOXUTTAJRAZ-INIZCTEOSA-N 1 2 349.434 3.480 20 30 EGEDLO C[C@@H](CC#N)[N@@H+](C)CCC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000161991281 454744026 /nfs/dbraw/zinc/74/40/26/454744026.db2.gz MKQQOXUTTAJRAZ-INIZCTEOSA-N 1 2 349.434 3.480 20 30 EGEDLO COc1cc(C#N)ccc1OCCCC(=O)Nc1cc[nH+]cc1C ZINC000107291621 454749325 /nfs/dbraw/zinc/74/93/25/454749325.db2.gz PQSRWIVIZWLBPD-UHFFFAOYSA-N 1 2 325.368 3.068 20 30 EGEDLO COc1ccc(C#N)cc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000153626293 454813636 /nfs/dbraw/zinc/81/36/36/454813636.db2.gz KBWKDQLBOXPMOB-UHFFFAOYSA-N 1 2 338.407 3.142 20 30 EGEDLO COc1ccc(C#N)cc1C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000153626293 454813639 /nfs/dbraw/zinc/81/36/39/454813639.db2.gz KBWKDQLBOXPMOB-UHFFFAOYSA-N 1 2 338.407 3.142 20 30 EGEDLO COc1ccc(C[N@H+](C)Cc2cn3ccccc3c2C#N)c(OC)c1 ZINC000141216546 454828108 /nfs/dbraw/zinc/82/81/08/454828108.db2.gz GRGUFFQRIBCLFM-UHFFFAOYSA-N 1 2 335.407 3.460 20 30 EGEDLO COc1ccc(C[N@@H+](C)Cc2cn3ccccc3c2C#N)c(OC)c1 ZINC000141216546 454828111 /nfs/dbraw/zinc/82/81/11/454828111.db2.gz GRGUFFQRIBCLFM-UHFFFAOYSA-N 1 2 335.407 3.460 20 30 EGEDLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000182228781 455466294 /nfs/dbraw/zinc/46/62/94/455466294.db2.gz BMKHBDZMSOCFAX-UHFFFAOYSA-N 1 2 329.341 3.156 20 30 EGEDLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000182228781 455466298 /nfs/dbraw/zinc/46/62/98/455466298.db2.gz BMKHBDZMSOCFAX-UHFFFAOYSA-N 1 2 329.341 3.156 20 30 EGEDLO C#CC[N@H+]1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000111307830 454861413 /nfs/dbraw/zinc/86/14/13/454861413.db2.gz YAWCLOYROPCAIM-CQSZACIVSA-N 1 2 346.228 3.193 20 30 EGEDLO C#CC[N@@H+]1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000111307830 454861416 /nfs/dbraw/zinc/86/14/16/454861416.db2.gz YAWCLOYROPCAIM-CQSZACIVSA-N 1 2 346.228 3.193 20 30 EGEDLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)cs1 ZINC000111376577 454862552 /nfs/dbraw/zinc/86/25/52/454862552.db2.gz IDEHRPLHJDBGIE-OLZOCXBDSA-N 1 2 334.489 3.087 20 30 EGEDLO CO[C@H](C)c1nc(CO[NH+]=C(N)c2cccc(Cl)c2)cs1 ZINC000177546247 454876060 /nfs/dbraw/zinc/87/60/60/454876060.db2.gz DDBBUDAAYOXHAB-SECBINFHSA-N 1 2 325.821 3.341 20 30 EGEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177784951 454905118 /nfs/dbraw/zinc/90/51/18/454905118.db2.gz VAUNRJUKYWOCRP-UHFFFAOYSA-N 1 2 336.399 3.084 20 30 EGEDLO COc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2OC)c(OC)c1 ZINC000178680758 454967234 /nfs/dbraw/zinc/96/72/34/454967234.db2.gz QGUWEPXHWXPYIV-UHFFFAOYSA-N 1 2 326.396 3.216 20 30 EGEDLO COc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2OC)c(OC)c1 ZINC000178680758 454967240 /nfs/dbraw/zinc/96/72/40/454967240.db2.gz QGUWEPXHWXPYIV-UHFFFAOYSA-N 1 2 326.396 3.216 20 30 EGEDLO C=C(C)COc1cc(C[N@H+]2CCCC[C@H]2C(=O)OC)ccc1OC ZINC000179807360 455082135 /nfs/dbraw/zinc/08/21/35/455082135.db2.gz UIRBEEWMSVYAAE-INIZCTEOSA-N 1 2 333.428 3.178 20 30 EGEDLO C=C(C)COc1cc(C[N@@H+]2CCCC[C@H]2C(=O)OC)ccc1OC ZINC000179807360 455082139 /nfs/dbraw/zinc/08/21/39/455082139.db2.gz UIRBEEWMSVYAAE-INIZCTEOSA-N 1 2 333.428 3.178 20 30 EGEDLO N#CC1(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)CCOCC1 ZINC000171761959 455091859 /nfs/dbraw/zinc/09/18/59/455091859.db2.gz VSTBMNBQSMXPQG-UHFFFAOYSA-N 1 2 338.411 3.022 20 30 EGEDLO Cc1cccn2cc(COc3ccc(C(=O)NC[C@@H](C)C#N)cc3)[nH+]c12 ZINC000171838516 455097877 /nfs/dbraw/zinc/09/78/77/455097877.db2.gz UFCXWZDIAOIQJC-AWEZNQCLSA-N 1 2 348.406 3.111 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1S[C@@H](C)CC#N)[NH+]1CCSCC1 ZINC000152396475 455112443 /nfs/dbraw/zinc/11/24/43/455112443.db2.gz UQWPXVOHUXKGOG-UONOGXRCSA-N 1 2 349.525 3.457 20 30 EGEDLO C#CCCCCNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000152416206 455116467 /nfs/dbraw/zinc/11/64/67/455116467.db2.gz OFBDBXLYHAOAFX-IRXDYDNUSA-N 1 2 343.471 3.221 20 30 EGEDLO N#Cc1ccc(OCCn2nc(C(F)(F)F)c3c[nH+]ccc32)cc1 ZINC000156708841 455146142 /nfs/dbraw/zinc/14/61/42/455146142.db2.gz VEWOMRJCOILMAJ-UHFFFAOYSA-N 1 2 332.285 3.401 20 30 EGEDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C[C@H](C#N)CCC#N)CC1 ZINC000264162412 455193217 /nfs/dbraw/zinc/19/32/17/455193217.db2.gz WIMXEAZTQUBYBD-GJZGRUSLSA-N 1 2 332.398 3.087 20 30 EGEDLO CCCOc1ccc(/C=[NH+]/[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c(O)c1 ZINC000265152515 455302298 /nfs/dbraw/zinc/30/22/98/455302298.db2.gz QUIRRSLACLUZMM-IVFDQLTFSA-N 1 2 332.444 3.247 20 30 EGEDLO C[N@H+](CCC#N)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000181473024 455340068 /nfs/dbraw/zinc/34/00/68/455340068.db2.gz OMLSATVPYPOVAY-HNNXBMFYSA-N 1 2 339.361 3.042 20 30 EGEDLO C[N@@H+](CCC#N)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000181473024 455340072 /nfs/dbraw/zinc/34/00/72/455340072.db2.gz OMLSATVPYPOVAY-HNNXBMFYSA-N 1 2 339.361 3.042 20 30 EGEDLO O=C1c2c(F)ccc(F)c2OC/C1=C/c1[nH+]ccn1CC(F)(F)F ZINC000181474015 455340188 /nfs/dbraw/zinc/34/01/88/455340188.db2.gz KNLHRMASOXBNSE-YVMONPNESA-N 1 2 344.239 3.382 20 30 EGEDLO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C[C@@H]1CCCCO1 ZINC000266775821 455451144 /nfs/dbraw/zinc/45/11/44/455451144.db2.gz ZGYNVVKBNOMRDB-INIZCTEOSA-N 1 2 339.439 3.239 20 30 EGEDLO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C[C@@H]1CCCCO1 ZINC000266775821 455451148 /nfs/dbraw/zinc/45/11/48/455451148.db2.gz ZGYNVVKBNOMRDB-INIZCTEOSA-N 1 2 339.439 3.239 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184902601 455469420 /nfs/dbraw/zinc/46/94/20/455469420.db2.gz ZVBZMSHOYLRKPY-GJZGRUSLSA-N 1 2 340.427 3.000 20 30 EGEDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(C#N)s1 ZINC000160649522 455484314 /nfs/dbraw/zinc/48/43/14/455484314.db2.gz MYGMNBHPDUBPEF-UHFFFAOYSA-N 1 2 329.425 3.089 20 30 EGEDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(C#N)s1 ZINC000160649522 455484321 /nfs/dbraw/zinc/48/43/21/455484321.db2.gz MYGMNBHPDUBPEF-UHFFFAOYSA-N 1 2 329.425 3.089 20 30 EGEDLO C=CCN(C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1)C1CC1 ZINC000271455942 455643233 /nfs/dbraw/zinc/64/32/33/455643233.db2.gz OYEVUPCQNPIEHV-MRXNPFEDSA-N 1 2 328.391 3.009 20 30 EGEDLO CC[N@H+](C[C@H](C)C#N)[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000186307473 455740327 /nfs/dbraw/zinc/74/03/27/455740327.db2.gz BIEVNACYDLKTFU-IUODEOHRSA-N 1 2 339.361 3.292 20 30 EGEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000186307473 455740332 /nfs/dbraw/zinc/74/03/32/455740332.db2.gz BIEVNACYDLKTFU-IUODEOHRSA-N 1 2 339.361 3.292 20 30 EGEDLO C[C@@H](c1cc(F)ccc1F)[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000193460955 455760574 /nfs/dbraw/zinc/76/05/74/455760574.db2.gz HLINRYKVOGEWAQ-LBPRGKRZSA-N 1 2 329.350 3.468 20 30 EGEDLO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000193460955 455760577 /nfs/dbraw/zinc/76/05/77/455760577.db2.gz HLINRYKVOGEWAQ-LBPRGKRZSA-N 1 2 329.350 3.468 20 30 EGEDLO N#Cc1ccc(F)c(C[NH+]2CCC(Oc3ncccc3F)CC2)c1 ZINC000278321493 455816534 /nfs/dbraw/zinc/81/65/34/455816534.db2.gz NNLOKILXUBBOFF-UHFFFAOYSA-N 1 2 329.350 3.275 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(Sc3ccccn3)o2)C1=O ZINC000294596828 455821885 /nfs/dbraw/zinc/82/18/85/455821885.db2.gz HTUZVENHEKJVHK-HNNXBMFYSA-N 1 2 343.452 3.045 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(Sc3ccccn3)o2)C1=O ZINC000294596828 455821889 /nfs/dbraw/zinc/82/18/89/455821889.db2.gz HTUZVENHEKJVHK-HNNXBMFYSA-N 1 2 343.452 3.045 20 30 EGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000278744809 455847147 /nfs/dbraw/zinc/84/71/47/455847147.db2.gz RLBRXJNERJAALL-FVQBIDKESA-N 1 2 349.500 3.295 20 30 EGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000278744809 455847152 /nfs/dbraw/zinc/84/71/52/455847152.db2.gz RLBRXJNERJAALL-FVQBIDKESA-N 1 2 349.500 3.295 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000295540345 455852494 /nfs/dbraw/zinc/85/24/94/455852494.db2.gz COAQXMKTIKKHNB-SFHVURJKSA-N 1 2 347.846 3.371 20 30 EGEDLO Cc1cccn2c(/C=C\C(=O)c3cccc(N4CCOC4=O)c3)c[nH+]c12 ZINC000255124100 455860953 /nfs/dbraw/zinc/86/09/53/455860953.db2.gz PZMSQBCCAZPJBD-FPLPWBNLSA-N 1 2 347.374 3.495 20 30 EGEDLO C=CCC[C@@H](NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000279492700 455865206 /nfs/dbraw/zinc/86/52/06/455865206.db2.gz NKFQNOVZGNZCOS-IEBWSBKVSA-N 1 2 345.487 3.056 20 30 EGEDLO C=C(Br)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285542976 455866667 /nfs/dbraw/zinc/86/66/67/455866667.db2.gz QQZDMEBCOYVFSS-UHFFFAOYSA-N 1 2 339.208 3.449 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000279802320 455873284 /nfs/dbraw/zinc/87/32/84/455873284.db2.gz WULRRQCOFTYNBM-UHFFFAOYSA-N 1 2 332.791 3.100 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000279802320 455873287 /nfs/dbraw/zinc/87/32/87/455873287.db2.gz WULRRQCOFTYNBM-UHFFFAOYSA-N 1 2 332.791 3.100 20 30 EGEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CC=C(c2cccc(Cl)c2)CC1)C1CC1 ZINC000280240319 455925447 /nfs/dbraw/zinc/92/54/47/455925447.db2.gz NFQCSMCPWGEBOK-IBGZPJMESA-N 1 2 343.858 3.238 20 30 EGEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CC=C(c2cccc(Cl)c2)CC1)C1CC1 ZINC000280240319 455925453 /nfs/dbraw/zinc/92/54/53/455925453.db2.gz NFQCSMCPWGEBOK-IBGZPJMESA-N 1 2 343.858 3.238 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000187700871 455940909 /nfs/dbraw/zinc/94/09/09/455940909.db2.gz JDBJKWPMVKNRTJ-OAHLLOKOSA-N 1 2 337.398 3.103 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000187700871 455940911 /nfs/dbraw/zinc/94/09/11/455940911.db2.gz JDBJKWPMVKNRTJ-OAHLLOKOSA-N 1 2 337.398 3.103 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000286930799 456057283 /nfs/dbraw/zinc/05/72/83/456057283.db2.gz NJMCVIIFENSCHT-HZPDHXFCSA-N 1 2 335.245 3.464 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000286930799 456057287 /nfs/dbraw/zinc/05/72/87/456057287.db2.gz NJMCVIIFENSCHT-HZPDHXFCSA-N 1 2 335.245 3.464 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000286930804 456057341 /nfs/dbraw/zinc/05/73/41/456057341.db2.gz NJMCVIIFENSCHT-JKSUJKDBSA-N 1 2 335.245 3.464 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000286930804 456057343 /nfs/dbraw/zinc/05/73/43/456057343.db2.gz NJMCVIIFENSCHT-JKSUJKDBSA-N 1 2 335.245 3.464 20 30 EGEDLO C[C@H](C#N)C[N@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000271110106 456128787 /nfs/dbraw/zinc/12/87/87/456128787.db2.gz AQMQQRYJJIFRQC-LLVKDONJSA-N 1 2 339.233 3.202 20 30 EGEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000271110106 456128790 /nfs/dbraw/zinc/12/87/90/456128790.db2.gz AQMQQRYJJIFRQC-LLVKDONJSA-N 1 2 339.233 3.202 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000289729953 456139792 /nfs/dbraw/zinc/13/97/92/456139792.db2.gz VGKUYVUZPPQRBA-CYBMUJFWSA-N 1 2 341.440 3.183 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2coc(-c3cccc(Cl)c3)n2)C1=O ZINC000281210997 456166540 /nfs/dbraw/zinc/16/65/40/456166540.db2.gz DEMORGSNSRWIBW-INIZCTEOSA-N 1 2 345.830 3.214 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2coc(-c3cccc(Cl)c3)n2)C1=O ZINC000281210997 456166542 /nfs/dbraw/zinc/16/65/42/456166542.db2.gz DEMORGSNSRWIBW-INIZCTEOSA-N 1 2 345.830 3.214 20 30 EGEDLO Cn1cc(C[N@@H+]2CCCC[C@@H]2c2nnc(C3CCC3)o2)cc1C#N ZINC000289910587 456178044 /nfs/dbraw/zinc/17/80/44/456178044.db2.gz UYQKBIZDMWBZQG-MRXNPFEDSA-N 1 2 325.416 3.274 20 30 EGEDLO Cn1cc(C[N@H+]2CCCC[C@@H]2c2nnc(C3CCC3)o2)cc1C#N ZINC000289910587 456178050 /nfs/dbraw/zinc/17/80/50/456178050.db2.gz UYQKBIZDMWBZQG-MRXNPFEDSA-N 1 2 325.416 3.274 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)c2nc3ccccc3n2C(F)F)C1=O ZINC000281518964 456256047 /nfs/dbraw/zinc/25/60/47/456256047.db2.gz ZFQBHOHMIXBPBI-WFASDCNBSA-N 1 2 348.397 3.211 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)c2nc3ccccc3n2C(F)F)C1=O ZINC000281518964 456256054 /nfs/dbraw/zinc/25/60/54/456256054.db2.gz ZFQBHOHMIXBPBI-WFASDCNBSA-N 1 2 348.397 3.211 20 30 EGEDLO C=C(C)[C@H](NC(=O)N(C)Cc1[nH+]ccn1C)c1ccc(F)c(F)c1 ZINC000275148717 456270942 /nfs/dbraw/zinc/27/09/42/456270942.db2.gz RNWGLBRYQKSZCA-INIZCTEOSA-N 1 2 334.370 3.157 20 30 EGEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000297768677 456291393 /nfs/dbraw/zinc/29/13/93/456291393.db2.gz FYGUAQDNUFIQTH-QMMMGPOBSA-N 1 2 334.288 3.383 20 30 EGEDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000340187609 456298525 /nfs/dbraw/zinc/29/85/25/456298525.db2.gz SYJQUMJJJURAKT-UHFFFAOYSA-N 1 2 339.439 3.365 20 30 EGEDLO N#Cc1ccc(OC2CC[NH+](Cc3ccn(C(F)F)n3)CC2)cc1 ZINC000347713416 456321061 /nfs/dbraw/zinc/32/10/61/456321061.db2.gz CJYCCVNIAAMWBF-UHFFFAOYSA-N 1 2 332.354 3.193 20 30 EGEDLO N#Cc1ccnc(N2CCc3c([nH+]cn3-c3ccccc3)C2)c1Cl ZINC000342931059 456321903 /nfs/dbraw/zinc/32/19/03/456321903.db2.gz JIVBFLIRNQPFKE-UHFFFAOYSA-N 1 2 335.798 3.355 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000347731407 456335588 /nfs/dbraw/zinc/33/55/88/456335588.db2.gz SLSGGOYGSYEZHU-GOSISDBHSA-N 1 2 340.471 3.433 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000347731407 456335594 /nfs/dbraw/zinc/33/55/94/456335594.db2.gz SLSGGOYGSYEZHU-GOSISDBHSA-N 1 2 340.471 3.433 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000347731407 456335602 /nfs/dbraw/zinc/33/56/02/456335602.db2.gz SLSGGOYGSYEZHU-GOSISDBHSA-N 1 2 340.471 3.433 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000347731407 456335608 /nfs/dbraw/zinc/33/56/08/456335608.db2.gz SLSGGOYGSYEZHU-GOSISDBHSA-N 1 2 340.471 3.433 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000347732944 456337059 /nfs/dbraw/zinc/33/70/59/456337059.db2.gz WXUCNZLPFBGSMH-GOSISDBHSA-N 1 2 338.455 3.209 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000347732944 456337062 /nfs/dbraw/zinc/33/70/62/456337062.db2.gz WXUCNZLPFBGSMH-GOSISDBHSA-N 1 2 338.455 3.209 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000347732944 456337065 /nfs/dbraw/zinc/33/70/65/456337065.db2.gz WXUCNZLPFBGSMH-GOSISDBHSA-N 1 2 338.455 3.209 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000347732944 456337069 /nfs/dbraw/zinc/33/70/69/456337069.db2.gz WXUCNZLPFBGSMH-GOSISDBHSA-N 1 2 338.455 3.209 20 30 EGEDLO N#Cc1ccc(SCC(=O)Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC000343250100 456483738 /nfs/dbraw/zinc/48/37/38/456483738.db2.gz XEZFZNLGQJCUSA-UHFFFAOYSA-N 1 2 334.404 3.475 20 30 EGEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1nnc2ccccn21 ZINC000348197897 456531025 /nfs/dbraw/zinc/53/10/25/456531025.db2.gz GZPSOMTYAONINR-LLVKDONJSA-N 1 2 343.337 3.053 20 30 EGEDLO COc1ccccc1N1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000326844186 456700435 /nfs/dbraw/zinc/70/04/35/456700435.db2.gz PLBBHGSXBATSCX-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000353472553 456701163 /nfs/dbraw/zinc/70/11/63/456701163.db2.gz OSVHRSLUFSXMKH-KBXCAEBGSA-N 1 2 333.863 3.485 20 30 EGEDLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000340892779 456744549 /nfs/dbraw/zinc/74/45/49/456744549.db2.gz BXDGKDGLABHBCR-SFHVURJKSA-N 1 2 349.862 3.088 20 30 EGEDLO CC[C@@]1(C)COCC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000340892779 456744556 /nfs/dbraw/zinc/74/45/56/456744556.db2.gz BXDGKDGLABHBCR-SFHVURJKSA-N 1 2 349.862 3.088 20 30 EGEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CCCC23CCOCC3)C[C@H]1n1cc[nH+]c1 ZINC000328768578 456757406 /nfs/dbraw/zinc/75/74/06/456757406.db2.gz BUJSMBLCFNOPCM-BRWVUGGUSA-N 1 2 346.475 3.029 20 30 EGEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCCC23CCOCC3)C[C@H]1n1cc[nH+]c1 ZINC000328768578 456757411 /nfs/dbraw/zinc/75/74/11/456757411.db2.gz BUJSMBLCFNOPCM-BRWVUGGUSA-N 1 2 346.475 3.029 20 30 EGEDLO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000343747314 456771560 /nfs/dbraw/zinc/77/15/60/456771560.db2.gz KZBYXVVXYOCJFT-OLZOCXBDSA-N 1 2 339.365 3.062 20 30 EGEDLO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000343747314 456771564 /nfs/dbraw/zinc/77/15/64/456771564.db2.gz KZBYXVVXYOCJFT-OLZOCXBDSA-N 1 2 339.365 3.062 20 30 EGEDLO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(C#N)cc1 ZINC000338350179 456781085 /nfs/dbraw/zinc/78/10/85/456781085.db2.gz RZGKSNIQAWSKEF-ZDUSSCGKSA-N 1 2 329.363 3.331 20 30 EGEDLO CCOc1cc2c(cc1NC(=O)[C@@H]1CCn3c[nH+]cc3C1)O[C@@H](C)C2 ZINC000328937599 456794973 /nfs/dbraw/zinc/79/49/73/456794973.db2.gz RIHQPLWUKMXCBU-QWHCGFSZSA-N 1 2 341.411 3.456 20 30 EGEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCOCC12CCCC2 ZINC000328944200 456796300 /nfs/dbraw/zinc/79/63/00/456796300.db2.gz URPGOIWFJCLRNH-CABCVRRESA-N 1 2 337.464 3.081 20 30 EGEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCOCC12CCCC2 ZINC000328944200 456796310 /nfs/dbraw/zinc/79/63/10/456796310.db2.gz URPGOIWFJCLRNH-CABCVRRESA-N 1 2 337.464 3.081 20 30 EGEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1CC(=O)Nc1c(C)cccc1C ZINC000329003760 456810540 /nfs/dbraw/zinc/81/05/40/456810540.db2.gz YCSVJUSDWZQNAP-KZNAEPCWSA-N 1 2 346.471 3.407 20 30 EGEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@H+]1CC(=O)Nc1c(C)cccc1C ZINC000329003760 456810547 /nfs/dbraw/zinc/81/05/47/456810547.db2.gz YCSVJUSDWZQNAP-KZNAEPCWSA-N 1 2 346.471 3.407 20 30 EGEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)CCC2CCC2)CCC(=O)N1C1CC1 ZINC000329041745 456821796 /nfs/dbraw/zinc/82/17/96/456821796.db2.gz SWWFDSCFOZQKNI-DNVCBOLYSA-N 1 2 344.459 3.151 20 30 EGEDLO N#CCC[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)Cc1ccccn1 ZINC000277429747 456823014 /nfs/dbraw/zinc/82/30/14/456823014.db2.gz IESQUHHMPNAJPA-UHFFFAOYSA-N 1 2 342.830 3.479 20 30 EGEDLO N#CCC[N@H+](CCC(=O)Nc1ccc(Cl)cc1)Cc1ccccn1 ZINC000277429747 456823018 /nfs/dbraw/zinc/82/30/18/456823018.db2.gz IESQUHHMPNAJPA-UHFFFAOYSA-N 1 2 342.830 3.479 20 30 EGEDLO C=C(C)[C@H](CC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)OCC ZINC000341244933 456826703 /nfs/dbraw/zinc/82/67/03/456826703.db2.gz YBMACSUNSLHEOW-SFHVURJKSA-N 1 2 333.476 3.273 20 30 EGEDLO C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329074237 456829271 /nfs/dbraw/zinc/82/92/71/456829271.db2.gz PDOOUVUTTOMQOG-UWWQBHOKSA-N 1 2 349.475 3.440 20 30 EGEDLO CC(C)(C)C1=CC[N@H+](CCNC(=O)[C@@H]2CCCc3[nH]ncc32)CC1 ZINC000329095995 456833337 /nfs/dbraw/zinc/83/33/37/456833337.db2.gz LAHDLWNHPLXVOI-OAHLLOKOSA-N 1 2 330.476 3.464 20 30 EGEDLO CC(C)(C)C1=CC[N@@H+](CCNC(=O)[C@@H]2CCCc3[nH]ncc32)CC1 ZINC000329095995 456833340 /nfs/dbraw/zinc/83/33/40/456833340.db2.gz LAHDLWNHPLXVOI-OAHLLOKOSA-N 1 2 330.476 3.464 20 30 EGEDLO C[C@H](C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1)c1ccccn1 ZINC000329151600 456844020 /nfs/dbraw/zinc/84/40/20/456844020.db2.gz AFHJJEJGZVGOTF-BBRMVZONSA-N 1 2 328.416 3.043 20 30 EGEDLO CC[C@@H](C#N)NC(=O)c1ccc(OCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000338666668 456850964 /nfs/dbraw/zinc/85/09/64/456850964.db2.gz RROCOJLVNWBOSH-INIZCTEOSA-N 1 2 348.406 3.254 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)C1 ZINC000329202192 456851972 /nfs/dbraw/zinc/85/19/72/456851972.db2.gz CEFUJTTUJQBMKB-STQMWFEESA-N 1 2 328.416 3.424 20 30 EGEDLO CCc1[nH+]c2cc(CNC(=O)N(C)C[C@@H](C)C#N)ccc2n1C1CC1 ZINC000338757602 456856165 /nfs/dbraw/zinc/85/61/65/456856165.db2.gz UZBZHCXICAEQJI-ZDUSSCGKSA-N 1 2 339.443 3.235 20 30 EGEDLO Cc1cc([NH+]2CCCCCC2)ccc1NC([O-])=[NH+][C@H]1CNC(=O)C1 ZINC000329231526 456858227 /nfs/dbraw/zinc/85/82/27/456858227.db2.gz FGRPOAORYCVKFN-CQSZACIVSA-N 1 2 330.432 3.430 20 30 EGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@H](C1CC1)C(F)(F)F)C2 ZINC000329305863 456869245 /nfs/dbraw/zinc/86/92/45/456869245.db2.gz AYEFIOYAVRJGQB-CYBMUJFWSA-N 1 2 344.381 3.157 20 30 EGEDLO O=C(Nc1cnc2c(c1)CCCC2)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000329326095 456873131 /nfs/dbraw/zinc/87/31/31/456873131.db2.gz JCOWEMLODBNHDM-MRXNPFEDSA-N 1 2 325.416 3.456 20 30 EGEDLO C[C@@H]1CCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CC1(C)C ZINC000329336353 456874441 /nfs/dbraw/zinc/87/44/41/456874441.db2.gz LSFLOCBVMRQAIE-ZBFHGGJFSA-N 1 2 348.491 3.170 20 30 EGEDLO COCC[N@H+](Cc1nc2cccnc2s1)Cc1ccc(C#N)cc1 ZINC000341601054 456879575 /nfs/dbraw/zinc/87/95/75/456879575.db2.gz KRRAPFUPOUOJHU-UHFFFAOYSA-N 1 2 338.436 3.212 20 30 EGEDLO COCC[N@@H+](Cc1nc2cccnc2s1)Cc1ccc(C#N)cc1 ZINC000341601054 456879579 /nfs/dbraw/zinc/87/95/79/456879579.db2.gz KRRAPFUPOUOJHU-UHFFFAOYSA-N 1 2 338.436 3.212 20 30 EGEDLO CC(=O)Nc1cccc2c1CCCN2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329431868 456889220 /nfs/dbraw/zinc/88/92/20/456889220.db2.gz IPPRULAIJXYJJK-AWEZNQCLSA-N 1 2 338.411 3.033 20 30 EGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCOCC2(CC2)C1 ZINC000329492199 456899915 /nfs/dbraw/zinc/89/99/15/456899915.db2.gz ZOSGKCYKRUADOF-LBPRGKRZSA-N 1 2 345.468 3.197 20 30 EGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCOCC2(CC2)C1 ZINC000329492199 456899918 /nfs/dbraw/zinc/89/99/18/456899918.db2.gz ZOSGKCYKRUADOF-LBPRGKRZSA-N 1 2 345.468 3.197 20 30 EGEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000329638731 456919473 /nfs/dbraw/zinc/91/94/73/456919473.db2.gz AUPMBKNNRTWRQQ-HRCADAONSA-N 1 2 330.476 3.234 20 30 EGEDLO CC[C@@H]1c2ccsc2CCN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329749937 456935594 /nfs/dbraw/zinc/93/55/94/456935594.db2.gz URJJVWDCRKTLCP-XHDPSFHLSA-N 1 2 330.457 3.252 20 30 EGEDLO CC[C@@H]1c2ccsc2CCN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329749937 456935600 /nfs/dbraw/zinc/93/56/00/456935600.db2.gz URJJVWDCRKTLCP-XHDPSFHLSA-N 1 2 330.457 3.252 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329909146 456959394 /nfs/dbraw/zinc/95/93/94/456959394.db2.gz MHIXSXJQJMWMRD-IYUJOENBSA-N 1 2 338.492 3.036 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329909146 456959398 /nfs/dbraw/zinc/95/93/98/456959398.db2.gz MHIXSXJQJMWMRD-IYUJOENBSA-N 1 2 338.492 3.036 20 30 EGEDLO O=C(NC[C@@H]1CCC2(CCCCC2)O1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000330079336 456982024 /nfs/dbraw/zinc/98/20/24/456982024.db2.gz FYBNLZVGOLZCHJ-HOTGVXAUSA-N 1 2 346.475 3.385 20 30 EGEDLO O=C(NC[C@@H]1CCC2(CCCCC2)O1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000330103739 456985522 /nfs/dbraw/zinc/98/55/22/456985522.db2.gz ITSOYDWLDZYMFT-IRXDYDNUSA-N 1 2 346.475 3.143 20 30 EGEDLO [O-]C(=[NH+]C[C@@H]1CCC2(CCCCC2)O1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000330103739 456985525 /nfs/dbraw/zinc/98/55/25/456985525.db2.gz ITSOYDWLDZYMFT-IRXDYDNUSA-N 1 2 346.475 3.143 20 30 EGEDLO Cc1ccccc1[C@@H]1C[C@H](C)N(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330199810 457000610 /nfs/dbraw/zinc/00/06/10/457000610.db2.gz VXNSUUSQFVXDFD-GVDBMIGSSA-N 1 2 338.455 3.298 20 30 EGEDLO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330199810 457000616 /nfs/dbraw/zinc/00/06/16/457000616.db2.gz VXNSUUSQFVXDFD-GVDBMIGSSA-N 1 2 338.455 3.298 20 30 EGEDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)NC[C@@H]1CCCCC(F)(F)C1 ZINC000330207747 457002088 /nfs/dbraw/zinc/00/20/88/457002088.db2.gz GFHPSLOCRIBCJN-ZIAGYGMSSA-N 1 2 340.418 3.480 20 30 EGEDLO O=C(N[C@@H]1CCOC2(CCCCC2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330207375 457002994 /nfs/dbraw/zinc/00/29/94/457002994.db2.gz AFDFUMHAGPZGPO-HZPDHXFCSA-N 1 2 346.475 3.385 20 30 EGEDLO CC(C)(CNC(=O)Nc1ccc(C2CCC2)cc1)[NH+]1CCOCC1 ZINC000330213102 457003503 /nfs/dbraw/zinc/00/35/03/457003503.db2.gz KRPHVVWPDRVDIO-UHFFFAOYSA-N 1 2 331.460 3.391 20 30 EGEDLO C[N@H+](Cc1cc(Br)c2c(c1)OCCO2)CC(C)(C)C#N ZINC000354017265 457012940 /nfs/dbraw/zinc/01/29/40/457012940.db2.gz IHZVOCHDLZNLMV-UHFFFAOYSA-N 1 2 339.233 3.202 20 30 EGEDLO CC(C)c1nnc(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)[nH]1 ZINC000330300895 457024398 /nfs/dbraw/zinc/02/43/98/457024398.db2.gz IRQWTKBFPQELAB-UHFFFAOYSA-N 1 2 333.480 3.429 20 30 EGEDLO CC[C@H](NC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC)[C@@H]1CCCO1 ZINC000330312479 457025318 /nfs/dbraw/zinc/02/53/18/457025318.db2.gz WKTMSUNOGQLMDP-XHSDSOJGSA-N 1 2 334.464 3.302 20 30 EGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@H]2CCc3ccccc32)CCO1 ZINC000330329570 457029115 /nfs/dbraw/zinc/02/91/15/457029115.db2.gz MQFTXDKWXSKSFL-HFTRVMKXSA-N 1 2 325.412 3.327 20 30 EGEDLO Cc1noc(C(C)C)c1C(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330331007 457029563 /nfs/dbraw/zinc/02/95/63/457029563.db2.gz NSWTVPHLYJSPNZ-TZMCWYRMSA-N 1 2 332.404 3.065 20 30 EGEDLO CCc1cccc(CC)c1NC(=O)C[NH+]1CCC(C#N)(COC)CC1 ZINC000341978751 457038840 /nfs/dbraw/zinc/03/88/40/457038840.db2.gz BAUGUGRBVMLXGL-UHFFFAOYSA-N 1 2 343.471 3.002 20 30 EGEDLO CCN(CC)c1ccc(CNC(=O)CCc2ccc(C#N)cc2)c[nH+]1 ZINC000339293677 457046201 /nfs/dbraw/zinc/04/62/01/457046201.db2.gz KHVASRNAAYCXJM-UHFFFAOYSA-N 1 2 336.439 3.048 20 30 EGEDLO CC[C@H](CCO)NC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000330782534 457085757 /nfs/dbraw/zinc/08/57/57/457085757.db2.gz PPUVONANZLQTLG-HUUCEWRRSA-N 1 2 334.464 3.256 20 30 EGEDLO N#Cc1nnc2ccccc2c1NCCc1[nH]c2ccc(F)cc2[nH+]1 ZINC000362864820 457132250 /nfs/dbraw/zinc/13/22/50/457132250.db2.gz BFAXHQIDTAJOEK-UHFFFAOYSA-N 1 2 332.342 3.171 20 30 EGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@@H]1CCCC1(C)C ZINC000331150417 457139653 /nfs/dbraw/zinc/13/96/53/457139653.db2.gz BRZSQLQBMBZBFI-LLVKDONJSA-N 1 2 332.370 3.370 20 30 EGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(C2CCC2)cc1 ZINC000350127598 457167507 /nfs/dbraw/zinc/16/75/07/457167507.db2.gz ZVQJUQYKSMGZIV-UHFFFAOYSA-N 1 2 327.472 3.002 20 30 EGEDLO N#CCC[N@H+](CCN1CCOCC1)Cc1ccc(C2CCC2)cc1 ZINC000350127598 457167510 /nfs/dbraw/zinc/16/75/10/457167510.db2.gz ZVQJUQYKSMGZIV-UHFFFAOYSA-N 1 2 327.472 3.002 20 30 EGEDLO N#CCC[N@@H+](CCN1CCOCC1)Cc1ccc(C2CCC2)cc1 ZINC000350127598 457167513 /nfs/dbraw/zinc/16/75/13/457167513.db2.gz ZVQJUQYKSMGZIV-UHFFFAOYSA-N 1 2 327.472 3.002 20 30 EGEDLO CC(=O)c1c(C)[nH]c(C(=O)NC(C)(C)C[NH+]2CCOCC2)c1C(C)C ZINC000331339354 457169135 /nfs/dbraw/zinc/16/91/35/457169135.db2.gz JQOXANDLUWBKKI-UHFFFAOYSA-N 1 2 349.475 3.065 20 30 EGEDLO CCOc1nnc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)s1 ZINC000346787927 457170015 /nfs/dbraw/zinc/17/00/15/457170015.db2.gz BEVCTGUBQIRHMH-UHFFFAOYSA-N 1 2 330.457 3.467 20 30 EGEDLO CCOc1nnc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)s1 ZINC000346787927 457170022 /nfs/dbraw/zinc/17/00/22/457170022.db2.gz BEVCTGUBQIRHMH-UHFFFAOYSA-N 1 2 330.457 3.467 20 30 EGEDLO C[C@H](C#N)C[N@H+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000352098064 457337484 /nfs/dbraw/zinc/33/74/84/457337484.db2.gz ZLPAHTWRNLJAFG-GFCCVEGCSA-N 1 2 333.233 3.226 20 30 EGEDLO C[C@H](C#N)C[N@@H+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000352098064 457337487 /nfs/dbraw/zinc/33/74/87/457337487.db2.gz ZLPAHTWRNLJAFG-GFCCVEGCSA-N 1 2 333.233 3.226 20 30 EGEDLO CCN(C(=O)C[NH+]1CCC(F)(C#N)CC1)[C@H](C)c1ccc(F)cc1 ZINC000352464409 457389190 /nfs/dbraw/zinc/38/91/90/457389190.db2.gz SUTQTIMNGQIPDA-CQSZACIVSA-N 1 2 335.398 3.063 20 30 EGEDLO C=CCCC1(C(=O)N2CC[NH+](Cc3ccccc3OC)CC2)CC1 ZINC000355635141 457395787 /nfs/dbraw/zinc/39/57/87/457395787.db2.gz NFSDNHAFRTYCNC-UHFFFAOYSA-N 1 2 328.456 3.086 20 30 EGEDLO CC1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000369804603 457408718 /nfs/dbraw/zinc/40/87/18/457408718.db2.gz VYTFJKKANWDKQG-RTBURBONSA-N 1 2 325.456 3.017 20 30 EGEDLO CC1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000369804603 457408726 /nfs/dbraw/zinc/40/87/26/457408726.db2.gz VYTFJKKANWDKQG-RTBURBONSA-N 1 2 325.456 3.017 20 30 EGEDLO Cc1cc(NCC2(c3ccc(Cl)cc3)CCOCC2)c(C#N)c[nH+]1 ZINC000425215392 457463115 /nfs/dbraw/zinc/46/31/15/457463115.db2.gz NHRJEJMZTWYQCR-UHFFFAOYSA-N 1 2 341.842 3.497 20 30 EGEDLO Cc1cc(NC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c(C#N)c[nH+]1 ZINC000425252246 457472720 /nfs/dbraw/zinc/47/27/20/457472720.db2.gz AMTKMQMMRWVNBA-UXHICEINSA-N 1 2 339.414 3.009 20 30 EGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000374122156 457484593 /nfs/dbraw/zinc/48/45/93/457484593.db2.gz WMPSEHPBJQCVCF-SFHVURJKSA-N 1 2 338.407 3.019 20 30 EGEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000374122156 457484596 /nfs/dbraw/zinc/48/45/96/457484596.db2.gz WMPSEHPBJQCVCF-SFHVURJKSA-N 1 2 338.407 3.019 20 30 EGEDLO C=CCCC1(C(=O)NC[C@H](c2ccc(C)s2)[NH+]2CCOCC2)CC1 ZINC000356315188 457569569 /nfs/dbraw/zinc/56/95/69/457569569.db2.gz DSSIUTHBHBJAQB-MRXNPFEDSA-N 1 2 348.512 3.292 20 30 EGEDLO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])CC(C)(C)C#N ZINC000425479356 457571518 /nfs/dbraw/zinc/57/15/18/457571518.db2.gz NTBJZLNJFULRME-UHFFFAOYSA-N 1 2 326.194 3.339 20 30 EGEDLO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])CC(C)(C)C#N ZINC000425479356 457571525 /nfs/dbraw/zinc/57/15/25/457571525.db2.gz NTBJZLNJFULRME-UHFFFAOYSA-N 1 2 326.194 3.339 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCS(=O)(=O)c1ccccc1 ZINC000425530401 457587504 /nfs/dbraw/zinc/58/75/04/457587504.db2.gz FHTDXLKDBBECOU-OAHLLOKOSA-N 1 2 328.437 3.025 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCS(=O)(=O)c1ccccc1 ZINC000425530401 457587506 /nfs/dbraw/zinc/58/75/06/457587506.db2.gz FHTDXLKDBBECOU-OAHLLOKOSA-N 1 2 328.437 3.025 20 30 EGEDLO C#CC[N@H+](Cc1ccno1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000365206130 457730204 /nfs/dbraw/zinc/73/02/04/457730204.db2.gz FUHGWAWMPKWXCF-OAHLLOKOSA-N 1 2 347.212 3.396 20 30 EGEDLO C#CC[N@@H+](Cc1ccno1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000365206130 457730205 /nfs/dbraw/zinc/73/02/05/457730205.db2.gz FUHGWAWMPKWXCF-OAHLLOKOSA-N 1 2 347.212 3.396 20 30 EGEDLO C[N@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)CC(C)(C)C#N ZINC000433304875 457804353 /nfs/dbraw/zinc/80/43/53/457804353.db2.gz OEJHSBPHMGJWCB-UHFFFAOYSA-N 1 2 333.451 3.434 20 30 EGEDLO C[N@@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)CC(C)(C)C#N ZINC000433304875 457804360 /nfs/dbraw/zinc/80/43/60/457804360.db2.gz OEJHSBPHMGJWCB-UHFFFAOYSA-N 1 2 333.451 3.434 20 30 EGEDLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433316720 457808674 /nfs/dbraw/zinc/80/86/74/457808674.db2.gz BEYKYKGUWSRHQX-UHFFFAOYSA-N 1 2 342.270 3.433 20 30 EGEDLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433316720 457808680 /nfs/dbraw/zinc/80/86/80/457808680.db2.gz BEYKYKGUWSRHQX-UHFFFAOYSA-N 1 2 342.270 3.433 20 30 EGEDLO N#Cc1cc(N2CCc3c([nH+]cn3-c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000361706530 457828885 /nfs/dbraw/zinc/82/88/85/457828885.db2.gz ZWJHXNOGYAPUBK-UHFFFAOYSA-N 1 2 345.362 3.215 20 30 EGEDLO Cn1cc([C@H]([NH2+]Cc2cccc(C#N)c2F)c2ccc(F)cc2)cn1 ZINC000358178062 457838946 /nfs/dbraw/zinc/83/89/46/457838946.db2.gz CHVXXUHVDXKGNR-LJQANCHMSA-N 1 2 338.361 3.449 20 30 EGEDLO C=C[C@@H](CC(=O)NCc1ccc(-n2cc[nH+]c2)nc1)c1ccccc1 ZINC000366961034 457913366 /nfs/dbraw/zinc/91/33/66/457913366.db2.gz KSEVGOICXYPHJD-KRWDZBQOSA-N 1 2 332.407 3.243 20 30 EGEDLO CC(=O)Nc1ccccc1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000371464057 457944659 /nfs/dbraw/zinc/94/46/59/457944659.db2.gz NZSWKIDMOHWFTE-HXUWFJFHSA-N 1 2 335.407 3.090 20 30 EGEDLO CC(=O)Nc1ccccc1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000371464057 457944662 /nfs/dbraw/zinc/94/46/62/457944662.db2.gz NZSWKIDMOHWFTE-HXUWFJFHSA-N 1 2 335.407 3.090 20 30 EGEDLO C=C(C)[C@H](NC(=O)N1CCn2c[nH+]cc2C1)c1ccc(F)c(F)c1 ZINC000368253428 458021742 /nfs/dbraw/zinc/02/17/42/458021742.db2.gz QMIZBHWKVDXPNF-INIZCTEOSA-N 1 2 332.354 3.004 20 30 EGEDLO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2ccc(C#N)cc2Cl)cn1 ZINC000362126918 458032770 /nfs/dbraw/zinc/03/27/70/458032770.db2.gz WLHFVBYTGMNUDY-INIZCTEOSA-N 1 2 332.860 3.235 20 30 EGEDLO Cn1cc([C@@H]2CSCC[N@H+]2Cc2ccc(C#N)cc2Cl)cn1 ZINC000362126918 458032774 /nfs/dbraw/zinc/03/27/74/458032774.db2.gz WLHFVBYTGMNUDY-INIZCTEOSA-N 1 2 332.860 3.235 20 30 EGEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](c1ccc(C)cc1)c1ccccn1 ZINC000369314008 458168508 /nfs/dbraw/zinc/16/85/08/458168508.db2.gz JDVQTASGXMGRHA-OAQYLSRUSA-N 1 2 335.451 3.270 20 30 EGEDLO Cc1cc(C(F)(F)F)c(C#N)c(SCC[N@H+]2CCOC[C@H]2C)n1 ZINC000412985018 458288761 /nfs/dbraw/zinc/28/87/61/458288761.db2.gz DOBXXWMMXWXNBF-LLVKDONJSA-N 1 2 345.390 3.093 20 30 EGEDLO Cc1cc(C(F)(F)F)c(C#N)c(SCC[N@@H+]2CCOC[C@H]2C)n1 ZINC000412985018 458288768 /nfs/dbraw/zinc/28/87/68/458288768.db2.gz DOBXXWMMXWXNBF-LLVKDONJSA-N 1 2 345.390 3.093 20 30 EGEDLO CC(C)(CC#N)CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000459258088 458304153 /nfs/dbraw/zinc/30/41/53/458304153.db2.gz LCJBSHKMXGVSLF-UHFFFAOYSA-N 1 2 331.464 3.025 20 30 EGEDLO CCOC(=O)CC(C)(C)CC[N@@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000376541197 458332808 /nfs/dbraw/zinc/33/28/08/458332808.db2.gz NHSBHQNAOYPPGJ-VQIMIIECSA-N 1 2 336.476 3.283 20 30 EGEDLO CCOC(=O)CC(C)(C)CC[N@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000376541197 458332809 /nfs/dbraw/zinc/33/28/09/458332809.db2.gz NHSBHQNAOYPPGJ-VQIMIIECSA-N 1 2 336.476 3.283 20 30 EGEDLO COC(=O)c1ccc(C[NH2+]CC2(C#N)CCC2)c(Br)c1 ZINC000418139648 458372556 /nfs/dbraw/zinc/37/25/56/458372556.db2.gz IBLODMMKRNPAEL-UHFFFAOYSA-N 1 2 337.217 3.019 20 30 EGEDLO C=CCN1C(=O)N(Cc2c[nH+]c(C)cc2C)C(=O)[C@@H]1Cc1ccccc1 ZINC000420054438 458396541 /nfs/dbraw/zinc/39/65/41/458396541.db2.gz FQZRDOMOKHNGRM-IBGZPJMESA-N 1 2 349.434 3.260 20 30 EGEDLO N#Cc1ccc(OCc2cccc(C[NH+]3CCOCC3)c2)c(F)c1 ZINC000421218975 458408808 /nfs/dbraw/zinc/40/88/08/458408808.db2.gz TVLHOHLSVOTLSW-UHFFFAOYSA-N 1 2 326.371 3.109 20 30 EGEDLO CC(C)(C)c1nnc(C[NH2+]Cc2cccc(OCCCC#N)c2)[nH]1 ZINC000459666461 458441104 /nfs/dbraw/zinc/44/11/04/458441104.db2.gz BRFDGCBNZOFUDS-UHFFFAOYSA-N 1 2 327.432 3.075 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000459668743 458441340 /nfs/dbraw/zinc/44/13/40/458441340.db2.gz FNROYRQIOKYKRI-FZKQIMNGSA-N 1 2 333.863 3.141 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCc2cccc(Cl)c2C1 ZINC000459668743 458441344 /nfs/dbraw/zinc/44/13/44/458441344.db2.gz FNROYRQIOKYKRI-FZKQIMNGSA-N 1 2 333.863 3.141 20 30 EGEDLO C=CCC1(C(=O)N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)CCCCC1 ZINC000450871484 458458627 /nfs/dbraw/zinc/45/86/27/458458627.db2.gz QUJPWXOFXYRJHW-MRXNPFEDSA-N 1 2 330.476 3.142 20 30 EGEDLO N#C[C@@H]1[N@H+](CCCc2ccc3c(c2)CCO3)CCC[C@]12CCCCO2 ZINC000373529333 458520796 /nfs/dbraw/zinc/52/07/96/458520796.db2.gz MUTKYHDZBJJXJH-LEWJYISDSA-N 1 2 340.467 3.481 20 30 EGEDLO N#C[C@@H]1[N@@H+](CCCc2ccc3c(c2)CCO3)CCC[C@]12CCCCO2 ZINC000373529333 458520802 /nfs/dbraw/zinc/52/08/02/458520802.db2.gz MUTKYHDZBJJXJH-LEWJYISDSA-N 1 2 340.467 3.481 20 30 EGEDLO Cc1[nH+]c2ccc(C(=O)N[C@]3(C#N)CCc4ccccc4C3)cc2n1C ZINC000373587606 458543019 /nfs/dbraw/zinc/54/30/19/458543019.db2.gz GXWYZAFSHBKSIJ-OAQYLSRUSA-N 1 2 344.418 3.063 20 30 EGEDLO C=C(C)CCNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000454514573 458564848 /nfs/dbraw/zinc/56/48/48/458564848.db2.gz RVYSAKGMGHXHQA-HOTGVXAUSA-N 1 2 331.460 3.384 20 30 EGEDLO C=C[C@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000494209977 458640990 /nfs/dbraw/zinc/64/09/90/458640990.db2.gz WAPZQAIWFWBCEX-KRWDZBQOSA-N 1 2 328.460 3.322 20 30 EGEDLO C[C@H](c1ncc(Br)cn1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000439000141 458641189 /nfs/dbraw/zinc/64/11/89/458641189.db2.gz WGYSGMQZTSSWID-LLVKDONJSA-N 1 2 331.217 3.304 20 30 EGEDLO C[C@H](c1ncc(Br)cn1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000439000141 458641194 /nfs/dbraw/zinc/64/11/94/458641194.db2.gz WGYSGMQZTSSWID-LLVKDONJSA-N 1 2 331.217 3.304 20 30 EGEDLO C[C@@H]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000424548323 458658643 /nfs/dbraw/zinc/65/86/43/458658643.db2.gz UAELSQUHIHSQFP-APWZRJJASA-N 1 2 325.456 3.029 20 30 EGEDLO Cc1[nH+]c2cc(NC(=O)c3cccc(CC#N)c3)ccc2n1[C@@H](C)CO ZINC000456723038 458763875 /nfs/dbraw/zinc/76/38/75/458763875.db2.gz REWLCYMSXOVJEE-ZDUSSCGKSA-N 1 2 348.406 3.216 20 30 EGEDLO C=CCCCCNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000472855258 458811148 /nfs/dbraw/zinc/81/11/48/458811148.db2.gz VYZSQWRKMILQOE-FMIVXFBMSA-N 1 2 327.472 3.383 20 30 EGEDLO C=CCCCCNC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000474091155 458860447 /nfs/dbraw/zinc/86/04/47/458860447.db2.gz WCAJMEXTEZLHPW-KRWDZBQOSA-N 1 2 345.487 3.440 20 30 EGEDLO C[N@H+](CCOc1ccccc1C#N)Cc1nc(-c2ccccc2)c[nH]1 ZINC000441056891 458880837 /nfs/dbraw/zinc/88/08/37/458880837.db2.gz FZZZGCDNNCUGMD-UHFFFAOYSA-N 1 2 332.407 3.459 20 30 EGEDLO C[N@@H+](CCOc1ccccc1C#N)Cc1nc(-c2ccccc2)c[nH]1 ZINC000441056891 458880841 /nfs/dbraw/zinc/88/08/41/458880841.db2.gz FZZZGCDNNCUGMD-UHFFFAOYSA-N 1 2 332.407 3.459 20 30 EGEDLO N#C[C@@H]1CC[C@H]([NH2+][C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)C1 ZINC000549553918 458881182 /nfs/dbraw/zinc/88/11/82/458881182.db2.gz JESSPZOIVAQMFD-DDTOSNHZSA-N 1 2 335.333 3.195 20 30 EGEDLO Cn1cc[nH+]c1[C@H](CC(=O)Nc1cccc(CC#N)c1)C(F)(F)F ZINC000519605240 458971915 /nfs/dbraw/zinc/97/19/15/458971915.db2.gz FRUYORKCCWYENH-ZDUSSCGKSA-N 1 2 336.317 3.161 20 30 EGEDLO N#CCCCN1C(=O)CCc2cc(N[C@@H]3CCCn4cc[nH+]c43)ccc21 ZINC000594502140 459064868 /nfs/dbraw/zinc/06/48/68/459064868.db2.gz XQFMNPGQCXZRAJ-QGZVFWFLSA-N 1 2 349.438 3.413 20 30 EGEDLO N#Cc1ccnc(N2CC[NH+](C/C=C\c3ccccc3)CC2)c1Cl ZINC000557466813 459075113 /nfs/dbraw/zinc/07/51/13/459075113.db2.gz LGCBDFSMKWAQDW-DAXSKMNVSA-N 1 2 338.842 3.442 20 30 EGEDLO C=CC[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(Cl)cc2C)CC1 ZINC000557869193 459115318 /nfs/dbraw/zinc/11/53/18/459115318.db2.gz KKEHQDRPYFTKIC-HNNXBMFYSA-N 1 2 335.879 3.440 20 30 EGEDLO CCn1cc(C[N@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)cn1 ZINC000532632253 459120789 /nfs/dbraw/zinc/12/07/89/459120789.db2.gz QVYMFGOMMDFTPC-UHFFFAOYSA-N 1 2 337.345 3.285 20 30 EGEDLO CCn1cc(C[N@@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)cn1 ZINC000532632253 459120793 /nfs/dbraw/zinc/12/07/93/459120793.db2.gz QVYMFGOMMDFTPC-UHFFFAOYSA-N 1 2 337.345 3.285 20 30 EGEDLO N#CC1CCC(CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000567722006 459152682 /nfs/dbraw/zinc/15/26/82/459152682.db2.gz HSFNXUGSZBBSEW-LEOMRAHMSA-N 1 2 336.439 3.378 20 30 EGEDLO CCN(Cc1cncc(C[N@H+](CC)C[C@@H](C)C#N)c1)C[C@@H](C)C#N ZINC000590689798 459184271 /nfs/dbraw/zinc/18/42/71/459184271.db2.gz HKBCXOCPBWMOBH-IRXDYDNUSA-N 1 2 327.476 3.045 20 30 EGEDLO CCN(Cc1cncc(C[N@@H+](CC)C[C@@H](C)C#N)c1)C[C@@H](C)C#N ZINC000590689798 459184275 /nfs/dbraw/zinc/18/42/75/459184275.db2.gz HKBCXOCPBWMOBH-IRXDYDNUSA-N 1 2 327.476 3.045 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000533081213 459186559 /nfs/dbraw/zinc/18/65/59/459186559.db2.gz ZMUTWOUTTUDVLF-HXUWFJFHSA-N 1 2 343.446 3.359 20 30 EGEDLO N#CCCC1CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000579715676 459250295 /nfs/dbraw/zinc/25/02/95/459250295.db2.gz FZDBWRFFXNVONR-UHFFFAOYSA-N 1 2 336.439 3.016 20 30 EGEDLO Cc1cc2[nH+]cn(C[C@@H](O)COc3ccc(C#N)cc3C)c2cc1C ZINC000559298139 459250758 /nfs/dbraw/zinc/25/07/58/459250758.db2.gz VOABHVBUTUOUEX-QGZVFWFLSA-N 1 2 335.407 3.273 20 30 EGEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000590946356 459279198 /nfs/dbraw/zinc/27/91/98/459279198.db2.gz IFLCGVYQMLXDLI-PBHICJAKSA-N 1 2 337.427 3.381 20 30 EGEDLO COC(=O)C[C@@](C)([NH2+]Cc1ccc(Cl)cc1C#N)c1ccncc1 ZINC000595488738 459322065 /nfs/dbraw/zinc/32/20/65/459322065.db2.gz ZKZBGVIQAXNJKB-GOSISDBHSA-N 1 2 343.814 3.175 20 30 EGEDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)s1 ZINC000591241463 459339268 /nfs/dbraw/zinc/33/92/68/459339268.db2.gz VLBOAKBEDWJWHT-QMTHXVAHSA-N 1 2 327.409 3.139 20 30 EGEDLO C=CC[N@@H+](CCS(=O)(=O)c1cc(Cl)ccc1Cl)C1CC1 ZINC000536743157 459361088 /nfs/dbraw/zinc/36/10/88/459361088.db2.gz PJONKPKNTDKXLP-UHFFFAOYSA-N 1 2 334.268 3.418 20 30 EGEDLO C=CC[N@H+](CCS(=O)(=O)c1cc(Cl)ccc1Cl)C1CC1 ZINC000536743157 459361093 /nfs/dbraw/zinc/36/10/93/459361093.db2.gz PJONKPKNTDKXLP-UHFFFAOYSA-N 1 2 334.268 3.418 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000595615151 459367983 /nfs/dbraw/zinc/36/79/83/459367983.db2.gz PMBQOTKSMUDTIT-NSHDSACASA-N 1 2 337.217 3.303 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000595615151 459367991 /nfs/dbraw/zinc/36/79/91/459367991.db2.gz PMBQOTKSMUDTIT-NSHDSACASA-N 1 2 337.217 3.303 20 30 EGEDLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595614484 459368286 /nfs/dbraw/zinc/36/82/86/459368286.db2.gz IJGPBAMJHVULRA-CHWSQXEVSA-N 1 2 335.835 3.301 20 30 EGEDLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595614484 459368290 /nfs/dbraw/zinc/36/82/90/459368290.db2.gz IJGPBAMJHVULRA-CHWSQXEVSA-N 1 2 335.835 3.301 20 30 EGEDLO COc1cc(-c2noc(C[N@@H+]3CCC[C@@H](CC#N)C3)n2)ccc1C ZINC000595619436 459371647 /nfs/dbraw/zinc/37/16/47/459371647.db2.gz BAGUVPAAXXJQPQ-AWEZNQCLSA-N 1 2 326.400 3.179 20 30 EGEDLO COc1cc(-c2noc(C[N@H+]3CCC[C@@H](CC#N)C3)n2)ccc1C ZINC000595619436 459371652 /nfs/dbraw/zinc/37/16/52/459371652.db2.gz BAGUVPAAXXJQPQ-AWEZNQCLSA-N 1 2 326.400 3.179 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000595620337 459372547 /nfs/dbraw/zinc/37/25/47/459372547.db2.gz LVTWFUGWSQTNDM-ZDUSSCGKSA-N 1 2 340.452 3.035 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000595620337 459372554 /nfs/dbraw/zinc/37/25/54/459372554.db2.gz LVTWFUGWSQTNDM-ZDUSSCGKSA-N 1 2 340.452 3.035 20 30 EGEDLO Cc1cc(C)cc(OCc2noc(C[N@@H+]3CCC[C@H](CC#N)C3)n2)c1 ZINC000595620821 459372620 /nfs/dbraw/zinc/37/26/20/459372620.db2.gz RDWGFECMWLFWSV-MRXNPFEDSA-N 1 2 340.427 3.391 20 30 EGEDLO Cc1cc(C)cc(OCc2noc(C[N@H+]3CCC[C@H](CC#N)C3)n2)c1 ZINC000595620821 459372625 /nfs/dbraw/zinc/37/26/25/459372625.db2.gz RDWGFECMWLFWSV-MRXNPFEDSA-N 1 2 340.427 3.391 20 30 EGEDLO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1OC)c1nnc2n1CCCCC2 ZINC000595800265 459445910 /nfs/dbraw/zinc/44/59/10/459445910.db2.gz QRJXKNZYMXXQEE-MRXNPFEDSA-N 1 2 339.443 3.126 20 30 EGEDLO N#Cc1c(NC(=O)C[N@@H+]2CC[C@H]3C[C@H]3C2)sc2c1CCCCC2 ZINC000595812313 459450304 /nfs/dbraw/zinc/45/03/04/459450304.db2.gz XXPRLYVOCSGSES-STQMWFEESA-N 1 2 329.469 3.169 20 30 EGEDLO N#Cc1c(NC(=O)C[N@H+]2CC[C@H]3C[C@H]3C2)sc2c1CCCCC2 ZINC000595812313 459450306 /nfs/dbraw/zinc/45/03/06/459450306.db2.gz XXPRLYVOCSGSES-STQMWFEESA-N 1 2 329.469 3.169 20 30 EGEDLO COc1ccc2ncc(C#N)c(NCCCCNc3cccc[nH+]3)c2c1 ZINC000591907239 459477149 /nfs/dbraw/zinc/47/71/49/459477149.db2.gz AIPRIRPHJRPSRF-UHFFFAOYSA-N 1 2 347.422 3.236 20 30 EGEDLO CC[C@H](C(=O)Nc1ccc(Cl)cc1CC#N)[N@@H+]1CCO[C@H](CC)C1 ZINC000583094906 459482707 /nfs/dbraw/zinc/48/27/07/459482707.db2.gz YJBVCLUYXOOKHH-NVXWUHKLSA-N 1 2 349.862 3.234 20 30 EGEDLO CC[C@H](C(=O)Nc1ccc(Cl)cc1CC#N)[N@H+]1CCO[C@H](CC)C1 ZINC000583094906 459482714 /nfs/dbraw/zinc/48/27/14/459482714.db2.gz YJBVCLUYXOOKHH-NVXWUHKLSA-N 1 2 349.862 3.234 20 30 EGEDLO Cc1nc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)ccc1C#N ZINC000487948132 459535732 /nfs/dbraw/zinc/53/57/32/459535732.db2.gz ZHWWOYGOAQXBAC-UHFFFAOYSA-N 1 2 332.860 3.299 20 30 EGEDLO CCOc1ccc(-c2nc(C[N@@H+]3CC[C@@](O)(CC#N)C3)cs2)cc1 ZINC000592147021 459535981 /nfs/dbraw/zinc/53/59/81/459535981.db2.gz HOKJYZVXBVGNJJ-SFHVURJKSA-N 1 2 343.452 3.059 20 30 EGEDLO CCOc1ccc(-c2nc(C[N@H+]3CC[C@@](O)(CC#N)C3)cs2)cc1 ZINC000592147021 459535989 /nfs/dbraw/zinc/53/59/89/459535989.db2.gz HOKJYZVXBVGNJJ-SFHVURJKSA-N 1 2 343.452 3.059 20 30 EGEDLO Cc1nc(N2CC[NH+](Cc3ccccc3Cl)CC2)ccc1C#N ZINC000488089357 459538093 /nfs/dbraw/zinc/53/80/93/459538093.db2.gz ZLWDNYVISPDONO-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(C)c(C(=O)OCC)s1 ZINC000489502717 459565559 /nfs/dbraw/zinc/56/55/59/459565559.db2.gz VPJUJVIOVISQCD-CYBMUJFWSA-N 1 2 336.457 3.212 20 30 EGEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C)c(C(=O)OCC)s1 ZINC000489502717 459565564 /nfs/dbraw/zinc/56/55/64/459565564.db2.gz VPJUJVIOVISQCD-CYBMUJFWSA-N 1 2 336.457 3.212 20 30 EGEDLO N#CC1(c2ccccn2)CCN(c2[nH+]ccc3c(N)cccc32)CC1 ZINC000596226456 459567165 /nfs/dbraw/zinc/56/71/65/459567165.db2.gz KFYXEVHOOOKHMA-UHFFFAOYSA-N 1 2 329.407 3.274 20 30 EGEDLO C#CCN(CC#N)C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000490960851 459591059 /nfs/dbraw/zinc/59/10/59/459591059.db2.gz DTXQXWBIDHADOS-UHFFFAOYSA-N 1 2 325.755 3.126 20 30 EGEDLO Cc1cc(N2CCC[C@H](CC#N)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596332223 459598987 /nfs/dbraw/zinc/59/89/87/459598987.db2.gz XUNYLBGQCULKPC-CQSZACIVSA-N 1 2 337.383 3.490 20 30 EGEDLO Cc1cccc2c1ncc(C#N)c2NCc1ccc[nH+]c1N1CCCC1 ZINC000596357949 459606195 /nfs/dbraw/zinc/60/61/95/459606195.db2.gz UPUFFSVCWWDEGQ-UHFFFAOYSA-N 1 2 343.434 3.444 20 30 EGEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000491298754 459615307 /nfs/dbraw/zinc/61/53/07/459615307.db2.gz XGKZQEGRIYLMIH-GOSISDBHSA-N 1 2 334.419 3.016 20 30 EGEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000491298754 459615315 /nfs/dbraw/zinc/61/53/15/459615315.db2.gz XGKZQEGRIYLMIH-GOSISDBHSA-N 1 2 334.419 3.016 20 30 EGEDLO C#C[C@@H](NC(=O)N[C@@H](C)c1[nH+]ccn1CC)c1ccc(Cl)cc1F ZINC000491327378 459617136 /nfs/dbraw/zinc/61/71/36/459617136.db2.gz VAKHPKOULHISMP-XHDPSFHLSA-N 1 2 348.809 3.430 20 30 EGEDLO C=CC[C@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000596426776 459633234 /nfs/dbraw/zinc/63/32/34/459633234.db2.gz DUVUJSJYBRMYLO-INIZCTEOSA-N 1 2 345.443 3.220 20 30 EGEDLO C#C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000491555860 459637237 /nfs/dbraw/zinc/63/72/37/459637237.db2.gz ULJKYHOZQANASE-LJQANCHMSA-N 1 2 333.366 3.175 20 30 EGEDLO C#C[C@H](NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000491625109 459640972 /nfs/dbraw/zinc/64/09/72/459640972.db2.gz KAMPDGFCZBMJJL-HOTGVXAUSA-N 1 2 340.402 3.026 20 30 EGEDLO C#CCN(Cc1ccc(F)cc1)C(=O)NCc1c[nH+]c(C)cc1C ZINC000491699332 459655940 /nfs/dbraw/zinc/65/59/40/459655940.db2.gz CMDDLTRLKQGBOF-UHFFFAOYSA-N 1 2 325.387 3.183 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc3ccccc3c2)n1 ZINC000491769372 459670133 /nfs/dbraw/zinc/67/01/33/459670133.db2.gz NAPDXRKEBNOHCQ-UHFFFAOYSA-N 1 2 333.435 3.318 20 30 EGEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc3ccccc3c2)n1 ZINC000491769372 459670141 /nfs/dbraw/zinc/67/01/41/459670141.db2.gz NAPDXRKEBNOHCQ-UHFFFAOYSA-N 1 2 333.435 3.318 20 30 EGEDLO C#C[C@@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1ccc(Cl)cc1F ZINC000491784962 459673082 /nfs/dbraw/zinc/67/30/82/459673082.db2.gz RMJAVAZVGAGRNK-MRXNPFEDSA-N 1 2 341.773 3.160 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CSc1ccc(C(C)(C)C)cc1 ZINC000584175756 459673653 /nfs/dbraw/zinc/67/36/53/459673653.db2.gz KIEMMAKVPSCPNA-SFHVURJKSA-N 1 2 333.501 3.036 20 30 EGEDLO CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000592747106 459683016 /nfs/dbraw/zinc/68/30/16/459683016.db2.gz JLYLBJMZLVWUIP-RBUKOAKNSA-N 1 2 339.483 3.275 20 30 EGEDLO CC1(C)C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@@H]1c1ccncc1 ZINC000596593086 459689092 /nfs/dbraw/zinc/68/90/92/459689092.db2.gz QFRJBULRBMLZTR-RBUKOAKNSA-N 1 2 346.434 3.142 20 30 EGEDLO CC1(C)C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@@H]1c1ccncc1 ZINC000596593086 459689097 /nfs/dbraw/zinc/68/90/97/459689097.db2.gz QFRJBULRBMLZTR-RBUKOAKNSA-N 1 2 346.434 3.142 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000563031473 459700948 /nfs/dbraw/zinc/70/09/48/459700948.db2.gz YLWKJTFSPRUTQQ-AEFFLSMTSA-N 1 2 337.423 3.416 20 30 EGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)/C=C/c1[nH+]ccn1CC ZINC000492917681 459725899 /nfs/dbraw/zinc/72/58/99/459725899.db2.gz DHWQNUOZAPGEQZ-BQYQJAHWSA-N 1 2 341.459 3.299 20 30 EGEDLO N#Cc1cc(NC(=O)NCc2ccc[nH+]c2N2CCCC2)ccc1F ZINC000596728474 459743083 /nfs/dbraw/zinc/74/30/83/459743083.db2.gz ZJWZVIXJNLIVEU-UHFFFAOYSA-N 1 2 339.374 3.014 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC3(CC3(F)F)CC2)c(C#N)c1C ZINC000593072721 459764909 /nfs/dbraw/zinc/76/49/09/459764909.db2.gz LOVBBVXUXHAMAW-LLVKDONJSA-N 1 2 337.370 3.216 20 30 EGEDLO C=CCCCCSCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000565471725 459784563 /nfs/dbraw/zinc/78/45/63/459784563.db2.gz ARHOAPDHZRNOOO-UHFFFAOYSA-N 1 2 333.501 3.210 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000593155688 459790365 /nfs/dbraw/zinc/79/03/65/459790365.db2.gz SKDHBMDRPLGFCA-QGZVFWFLSA-N 1 2 331.416 3.128 20 30 EGEDLO Cc1nc(-c2ccccc2C)sc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000566013273 459793691 /nfs/dbraw/zinc/79/36/91/459793691.db2.gz LBIULTIADKXOLK-SFHVURJKSA-N 1 2 342.468 3.001 20 30 EGEDLO C[C@H](C#N)C[N@H+](C)Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000529524908 459830789 /nfs/dbraw/zinc/83/07/89/459830789.db2.gz LGQNURDVMNAMDN-SECBINFHSA-N 1 2 339.262 3.492 20 30 EGEDLO C[C@H](C#N)C[N@@H+](C)Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000529524908 459830795 /nfs/dbraw/zinc/83/07/95/459830795.db2.gz LGQNURDVMNAMDN-SECBINFHSA-N 1 2 339.262 3.492 20 30 EGEDLO N#CC1(C[NH2+]Cc2cc(Cl)ccc2I)CC1 ZINC000597121096 459842306 /nfs/dbraw/zinc/84/23/06/459842306.db2.gz LKSLHOKWAQHGQI-UHFFFAOYSA-N 1 2 346.599 3.338 20 30 EGEDLO Cc1cccn2cc(Cc3noc(COc4ccc(C#N)cc4)n3)[nH+]c12 ZINC000545674262 459845714 /nfs/dbraw/zinc/84/57/14/459845714.db2.gz FSTYTFPBKUUPRY-UHFFFAOYSA-N 1 2 345.362 3.067 20 30 EGEDLO C=CCOc1cccc(C[NH2+][C@H](C(=O)OC)[C@@H]2CCC[C@@H](OC)C2)c1 ZINC000566352600 459848879 /nfs/dbraw/zinc/84/88/79/459848879.db2.gz UKIHGNUCTQCRBS-LMMKCTJWSA-N 1 2 347.455 3.088 20 30 EGEDLO N#C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1c(Cl)cccc1Cl ZINC000597164859 459859216 /nfs/dbraw/zinc/85/92/16/459859216.db2.gz DQHGZTKOLIEHCK-HZMBPMFUSA-N 1 2 349.221 3.133 20 30 EGEDLO COc1cc(Br)c(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1O ZINC000597176273 459862894 /nfs/dbraw/zinc/86/28/94/459862894.db2.gz HAPOQMIIKRDEAM-NSHDSACASA-N 1 2 339.233 3.289 20 30 EGEDLO COc1cc(Br)c(C[N@H+]2CCC[C@@H](CC#N)C2)cc1O ZINC000597176273 459862900 /nfs/dbraw/zinc/86/29/00/459862900.db2.gz HAPOQMIIKRDEAM-NSHDSACASA-N 1 2 339.233 3.289 20 30 EGEDLO COc1cc(Br)c(C[N@@H+]2CCC[C@H](CC#N)C2)cc1O ZINC000597176262 459863450 /nfs/dbraw/zinc/86/34/50/459863450.db2.gz HAPOQMIIKRDEAM-LLVKDONJSA-N 1 2 339.233 3.289 20 30 EGEDLO COc1cc(Br)c(C[N@H+]2CCC[C@H](CC#N)C2)cc1O ZINC000597176262 459863456 /nfs/dbraw/zinc/86/34/56/459863456.db2.gz HAPOQMIIKRDEAM-LLVKDONJSA-N 1 2 339.233 3.289 20 30 EGEDLO Cc1cccn2cc(CC(=O)N(Cc3ccc(C#N)cc3)C(C)C)[nH+]c12 ZINC000608846465 459889579 /nfs/dbraw/zinc/88/95/79/459889579.db2.gz DBCASRXBVZXYSV-UHFFFAOYSA-N 1 2 346.434 3.494 20 30 EGEDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000587024623 459890539 /nfs/dbraw/zinc/89/05/39/459890539.db2.gz DURHPSMUBNBHJN-CQSZACIVSA-N 1 2 349.463 3.446 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609234120 459928375 /nfs/dbraw/zinc/92/83/75/459928375.db2.gz QKIINFYNEDZPBA-JXFKEZNVSA-N 1 2 349.434 3.349 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609234120 459928378 /nfs/dbraw/zinc/92/83/78/459928378.db2.gz QKIINFYNEDZPBA-JXFKEZNVSA-N 1 2 349.434 3.349 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609234122 459929564 /nfs/dbraw/zinc/92/95/64/459929564.db2.gz QKIINFYNEDZPBA-OXQOHEQNSA-N 1 2 349.434 3.349 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609234122 459929571 /nfs/dbraw/zinc/92/95/71/459929571.db2.gz QKIINFYNEDZPBA-OXQOHEQNSA-N 1 2 349.434 3.349 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(OCC2CCCCC2)cc1 ZINC000575186246 459945224 /nfs/dbraw/zinc/94/52/24/459945224.db2.gz ZBPUXCBXNGRTDH-FQEVSTJZSA-N 1 2 343.471 3.219 20 30 EGEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCc2sc(Br)cc2C1 ZINC000598596580 459957751 /nfs/dbraw/zinc/95/77/51/459957751.db2.gz LSTAAIAIZNDMGN-LLVKDONJSA-N 1 2 343.290 3.169 20 30 EGEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCc2sc(Br)cc2C1 ZINC000598596580 459957757 /nfs/dbraw/zinc/95/77/57/459957757.db2.gz LSTAAIAIZNDMGN-LLVKDONJSA-N 1 2 343.290 3.169 20 30 EGEDLO N#C[C@H](NC(=O)CCCn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000609460807 459966215 /nfs/dbraw/zinc/96/62/15/459966215.db2.gz QTLHCDISUCEYDA-AWEZNQCLSA-N 1 2 337.210 3.351 20 30 EGEDLO Cc1ccc(-c2cc(C[NH+]3CCN([C@H](C#N)C(C)C)CC3)on2)cc1 ZINC000609538224 459976834 /nfs/dbraw/zinc/97/68/34/459976834.db2.gz OHIDOMQEKWXPRD-HXUWFJFHSA-N 1 2 338.455 3.316 20 30 EGEDLO Cc1cccn2cc(CC(=O)N[C@@H](C#N)c3ccccc3Cl)[nH+]c12 ZINC000609594268 459990755 /nfs/dbraw/zinc/99/07/55/459990755.db2.gz QGGHNUXJCJBILK-INIZCTEOSA-N 1 2 338.798 3.220 20 30 EGEDLO CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000609676567 460007740 /nfs/dbraw/zinc/00/77/40/460007740.db2.gz PQWFQOUALLAZTB-KUHUBIRLSA-N 1 2 337.423 3.223 20 30 EGEDLO COCC[N@H+](Cc1ccc(F)c(Cl)c1)Cc1cccc(C#N)n1 ZINC000602682923 460063758 /nfs/dbraw/zinc/06/37/58/460063758.db2.gz UWXIFYXJQNMLRS-UHFFFAOYSA-N 1 2 333.794 3.394 20 30 EGEDLO COCC[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1cccc(C#N)n1 ZINC000602682923 460063763 /nfs/dbraw/zinc/06/37/63/460063763.db2.gz UWXIFYXJQNMLRS-UHFFFAOYSA-N 1 2 333.794 3.394 20 30 EGEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000594035337 460066200 /nfs/dbraw/zinc/06/62/00/460066200.db2.gz GGBQWXLNUDRSDW-RHSMWYFYSA-N 1 2 336.439 3.080 20 30 EGEDLO Cc1cccc2c1ncc(C#N)c2NCc1cc[nH+]c(N2CCCC2)c1 ZINC000610246028 460096154 /nfs/dbraw/zinc/09/61/54/460096154.db2.gz PFAOMFLEQZCXHO-UHFFFAOYSA-N 1 2 343.434 3.444 20 30 EGEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)CC2CCCCC2)CC1 ZINC000614397225 460128547 /nfs/dbraw/zinc/12/85/47/460128547.db2.gz DQWYBMOYAGFDLG-UHFFFAOYSA-N 1 2 339.483 3.481 20 30 EGEDLO C[C@@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1cccc(C#N)c1 ZINC000610349126 460130299 /nfs/dbraw/zinc/13/02/99/460130299.db2.gz MDPWSMSHOHLLCH-OAHLLOKOSA-N 1 2 345.406 3.304 20 30 EGEDLO N#Cc1cccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)n1 ZINC000589753605 460136097 /nfs/dbraw/zinc/13/60/97/460136097.db2.gz VQLZHIOQIMNDQG-UHFFFAOYSA-N 1 2 343.390 3.405 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCOc4ccccc4C3)o2)c1 ZINC000610367879 460136347 /nfs/dbraw/zinc/13/63/47/460136347.db2.gz DWIFQLLLIXMVHW-UHFFFAOYSA-N 1 2 332.363 3.003 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCOc4ccccc4C3)o2)c1 ZINC000610367879 460136351 /nfs/dbraw/zinc/13/63/51/460136351.db2.gz DWIFQLLLIXMVHW-UHFFFAOYSA-N 1 2 332.363 3.003 20 30 EGEDLO C[C@H](CC#N)[NH2+]CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000602863100 460163671 /nfs/dbraw/zinc/16/36/71/460163671.db2.gz NTZUPOUFPOQUBH-GFCCVEGCSA-N 1 2 339.361 3.088 20 30 EGEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000602867127 460165332 /nfs/dbraw/zinc/16/53/32/460165332.db2.gz BKZQMDIAQDPILO-UONOGXRCSA-N 1 2 343.427 3.337 20 30 EGEDLO CC1(C)C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@@H]1c1ccco1 ZINC000602925713 460189840 /nfs/dbraw/zinc/18/98/40/460189840.db2.gz LGUJENLYNDAYSA-FUHWJXTLSA-N 1 2 335.407 3.340 20 30 EGEDLO CC1(C)C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@@H]1c1ccco1 ZINC000602925713 460189842 /nfs/dbraw/zinc/18/98/42/460189842.db2.gz LGUJENLYNDAYSA-FUHWJXTLSA-N 1 2 335.407 3.340 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000602927508 460191149 /nfs/dbraw/zinc/19/11/49/460191149.db2.gz TUVFJQMUXISNNF-ZBFHGGJFSA-N 1 2 329.444 3.394 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000602927508 460191155 /nfs/dbraw/zinc/19/11/55/460191155.db2.gz TUVFJQMUXISNNF-ZBFHGGJFSA-N 1 2 329.444 3.394 20 30 EGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccccc2CC#N)CC1 ZINC000601449645 460814315 /nfs/dbraw/zinc/81/43/15/460814315.db2.gz UIOCSPJCMWMQKB-HNNXBMFYSA-N 1 2 339.464 3.333 20 30 EGEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1nc(C)[nH+]c(C)c1Br ZINC000663870014 461848453 /nfs/dbraw/zinc/84/84/53/461848453.db2.gz LGPVUIPBTVYGPB-DGCLKSJQSA-N 1 2 326.238 3.249 20 30 EGEDLO COCC#CC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000644713785 462047675 /nfs/dbraw/zinc/04/76/75/462047675.db2.gz KHTZUCZXFRLHFK-CJNGLKHVSA-N 1 2 327.346 3.117 20 30 EGEDLO COCC#CC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000644713785 462047681 /nfs/dbraw/zinc/04/76/81/462047681.db2.gz KHTZUCZXFRLHFK-CJNGLKHVSA-N 1 2 327.346 3.117 20 30 EGEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000639724576 462077708 /nfs/dbraw/zinc/07/77/08/462077708.db2.gz ALGRAURPLYWPIE-HUUCEWRRSA-N 1 2 335.407 3.136 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H](C)COC ZINC000661244525 462168932 /nfs/dbraw/zinc/16/89/32/462168932.db2.gz UJACQZNLPQKSHB-LBPRGKRZSA-N 1 2 330.350 3.167 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H](C)COC ZINC000661244525 462168938 /nfs/dbraw/zinc/16/89/38/462168938.db2.gz UJACQZNLPQKSHB-LBPRGKRZSA-N 1 2 330.350 3.167 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)Cc1c[nH]nc1C ZINC000639967544 462196262 /nfs/dbraw/zinc/19/62/62/462196262.db2.gz KWLKLZDHMMGVAG-UHFFFAOYSA-N 1 2 330.457 3.067 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)Cc1c[nH]nc1C ZINC000639967544 462196265 /nfs/dbraw/zinc/19/62/65/462196265.db2.gz KWLKLZDHMMGVAG-UHFFFAOYSA-N 1 2 330.457 3.067 20 30 EGEDLO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CCC#N)CC2)cc1 ZINC000645951604 462476639 /nfs/dbraw/zinc/47/66/39/462476639.db2.gz BSQCLVANALIBDN-CQSZACIVSA-N 1 2 327.428 3.232 20 30 EGEDLO C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C1 ZINC000329055871 547489974 /nfs/dbraw/zinc/48/99/74/547489974.db2.gz XVHXEYQPZUEBHH-HOPMXRPOSA-N 1 2 344.459 3.007 20 30 EGEDLO C[C@H](NC(=O)N1CCn2cc[nH+]c2C1)C12CC3CC(CC(C3)C1)C2 ZINC000329430725 547497221 /nfs/dbraw/zinc/49/72/21/547497221.db2.gz KHFBFERWECFIPU-IWUURBKTSA-N 1 2 328.460 3.218 20 30 EGEDLO COc1ccc2c(c1NC(=O)N1CCC[C@H](c3[nH]cc[nH+]3)C1)CCC2 ZINC000330128053 547513599 /nfs/dbraw/zinc/51/35/99/547513599.db2.gz NICONINKALEORW-AWEZNQCLSA-N 1 2 340.427 3.332 20 30 EGEDLO COCC#CC[N@@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000681032471 549944343 /nfs/dbraw/zinc/94/43/43/549944343.db2.gz XQANDVFDQRYILQ-HNNXBMFYSA-N 1 2 326.209 3.375 20 30 EGEDLO COCC#CC[N@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000681032471 549944344 /nfs/dbraw/zinc/94/43/44/549944344.db2.gz XQANDVFDQRYILQ-HNNXBMFYSA-N 1 2 326.209 3.375 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)Cc1cccs1 ZINC000727241168 574655844 /nfs/dbraw/zinc/65/58/44/574655844.db2.gz FLDRULUPCIPQAL-UHFFFAOYSA-N 1 2 343.496 3.119 20 30 EGEDLO C=CC[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)Cc1cccs1 ZINC000727241168 574655846 /nfs/dbraw/zinc/65/58/46/574655846.db2.gz FLDRULUPCIPQAL-UHFFFAOYSA-N 1 2 343.496 3.119 20 30 EGEDLO CCCCCCCCCC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000729974995 574900410 /nfs/dbraw/zinc/90/04/10/574900410.db2.gz LDUIHEZDTVFLOF-UHFFFAOYSA-N 1 2 334.508 3.205 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc2c(s1)C[C@H](CCC)CC2 ZINC000730284148 574966119 /nfs/dbraw/zinc/96/61/19/574966119.db2.gz KWAGCMICDJOIMI-HIFRSBDPSA-N 1 2 331.485 3.084 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc2c(s1)C[C@H](CCC)CC2 ZINC000730284148 574966120 /nfs/dbraw/zinc/96/61/20/574966120.db2.gz KWAGCMICDJOIMI-HIFRSBDPSA-N 1 2 331.485 3.084 20 30 EGEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c1=S ZINC000730456117 574989229 /nfs/dbraw/zinc/98/92/29/574989229.db2.gz YCAPKDDQDCQFCU-CQSZACIVSA-N 1 2 332.448 3.495 20 30 EGEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@@H](c3ccccc3F)C2)c1=S ZINC000730456117 574989231 /nfs/dbraw/zinc/98/92/31/574989231.db2.gz YCAPKDDQDCQFCU-CQSZACIVSA-N 1 2 332.448 3.495 20 30 EGEDLO C#CCOc1cccc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000731111470 575055087 /nfs/dbraw/zinc/05/50/87/575055087.db2.gz QODXJMMUFRETCA-QGZVFWFLSA-N 1 2 340.427 3.132 20 30 EGEDLO CCCC[N@H+](CCOC)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000731667596 575195349 /nfs/dbraw/zinc/19/53/49/575195349.db2.gz SDDBZQLOZDZCEF-CQSZACIVSA-N 1 2 345.468 3.221 20 30 EGEDLO CCCC[N@@H+](CCOC)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000731667596 575195350 /nfs/dbraw/zinc/19/53/50/575195350.db2.gz SDDBZQLOZDZCEF-CQSZACIVSA-N 1 2 345.468 3.221 20 30 EGEDLO CCCC[N@H+](CCOC)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000731667595 575195355 /nfs/dbraw/zinc/19/53/55/575195355.db2.gz SDDBZQLOZDZCEF-AWEZNQCLSA-N 1 2 345.468 3.221 20 30 EGEDLO CCCC[N@@H+](CCOC)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000731667595 575195356 /nfs/dbraw/zinc/19/53/56/575195356.db2.gz SDDBZQLOZDZCEF-AWEZNQCLSA-N 1 2 345.468 3.221 20 30 EGEDLO N#Cc1ccc(F)c(COC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000732357309 575262237 /nfs/dbraw/zinc/26/22/37/575262237.db2.gz UCALBMBXPPLJCK-IBGZPJMESA-N 1 2 338.382 3.405 20 30 EGEDLO N#Cc1ccc(F)c(COC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000732357309 575262239 /nfs/dbraw/zinc/26/22/39/575262239.db2.gz UCALBMBXPPLJCK-IBGZPJMESA-N 1 2 338.382 3.405 20 30 EGEDLO C=CC[C@H](NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)c1ccncc1 ZINC000734679971 575541028 /nfs/dbraw/zinc/54/10/28/575541028.db2.gz LKHJBGUBVJCUAS-HOTGVXAUSA-N 1 2 325.416 3.359 20 30 EGEDLO C=CCN1C(=O)/C(=C\c2c[nH+]c3ccc(Cl)cn23)SC1=S ZINC000737445110 576230520 /nfs/dbraw/zinc/23/05/20/576230520.db2.gz YDLGVDCVXABXCO-IZZDOVSWSA-N 1 2 335.841 3.375 20 30 EGEDLO CCOC(=O)Cc1ccc(C(=O)/C=C/c2c[nH+]c3ccccn23)cc1 ZINC000740765076 576624166 /nfs/dbraw/zinc/62/41/66/576624166.db2.gz OVCBJAWBFNNHDO-ZHACJKMWSA-N 1 2 334.375 3.336 20 30 EGEDLO Cc1c(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)nnn1-c1ccccc1 ZINC000741467153 576688720 /nfs/dbraw/zinc/68/87/20/576688720.db2.gz IBOKGLVOBYOLQW-KHPPLWFESA-N 1 2 343.390 3.428 20 30 EGEDLO Oc1cccc(/C=[NH+]/CCc2ccn(-c3ccc(F)cc3)n2)c1O ZINC000743043369 576800682 /nfs/dbraw/zinc/80/06/82/576800682.db2.gz VOXIKNBXPVAFQN-UDWIEESQSA-N 1 2 325.343 3.084 20 30 EGEDLO Cc1ccc(NC(=O)CO[NH+]=C(N)c2ccc(F)cc2)cc1Cl ZINC000029464282 1291330609 /nfs/dbraw/zinc/33/06/09/1291330609.db2.gz NVRCPFDAQAGGEE-UHFFFAOYSA-N 1 2 335.766 3.063 20 30 EGEDLO COc1ccc(CC(N)=[NH+]OCc2ccc(SC)c(OC)c2)cc1 ZINC000068775134 1292215282 /nfs/dbraw/zinc/21/52/82/1292215282.db2.gz KOTLVJQRZVCYNH-UHFFFAOYSA-N 1 2 346.452 3.457 20 30 EGEDLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000831872995 1292930975 /nfs/dbraw/zinc/93/09/75/1292930975.db2.gz HYCXWTYDEKRTCD-QGZVFWFLSA-N 1 2 329.419 3.115 20 30 EGEDLO Cc1ccccc1NC(=O)CO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000106067347 1293047624 /nfs/dbraw/zinc/04/76/24/1293047624.db2.gz DZEXIZDKAZESKH-UHFFFAOYSA-N 1 2 331.803 3.118 20 30 EGEDLO CCn1c(N[NH+]=C2CCCc3cc(N)ccc32)nc2ccccc2c1=O ZINC000834936311 1293178057 /nfs/dbraw/zinc/17/80/57/1293178057.db2.gz WVWMCIBOAXPFOG-UHFFFAOYSA-N 1 2 347.422 3.151 20 30 EGEDLO C=CCONC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000834935768 1293178083 /nfs/dbraw/zinc/17/80/83/1293178083.db2.gz PVZPEFLEXZJWNP-AWEZNQCLSA-N 1 2 341.814 3.033 20 30 EGEDLO C#CCOc1ccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000130032417 1293642662 /nfs/dbraw/zinc/64/26/62/1293642662.db2.gz ZNRBGMHVEXKQAS-YJBOKZPZSA-N 1 2 338.411 3.010 20 30 EGEDLO NC(Cc1cccnc1)=[NH+]OCc1ccc(F)c(Br)c1 ZINC000137647806 1293830537 /nfs/dbraw/zinc/83/05/37/1293830537.db2.gz CPTJJKOWGQKRCP-UHFFFAOYSA-N 1 2 338.180 3.015 20 30 EGEDLO C=CCn1c(C)nn(C[N@H+]2CCCC[C@@H](SCC)C2)c1=S ZINC000153099872 1293998800 /nfs/dbraw/zinc/99/88/00/1293998800.db2.gz JLZOJPOCNKBTES-CQSZACIVSA-N 1 2 326.535 3.474 20 30 EGEDLO C=CCn1c(C)nn(C[N@@H+]2CCCC[C@@H](SCC)C2)c1=S ZINC000153099872 1293998803 /nfs/dbraw/zinc/99/88/03/1293998803.db2.gz JLZOJPOCNKBTES-CQSZACIVSA-N 1 2 326.535 3.474 20 30 EGEDLO CCCCCCCCOCC(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000161280820 1294288288 /nfs/dbraw/zinc/28/82/88/1294288288.db2.gz BFEPACGRNAHFFI-UHFFFAOYSA-N 1 2 339.505 3.447 20 30 EGEDLO CCCCCCCCOCC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000161280820 1294288295 /nfs/dbraw/zinc/28/82/95/1294288295.db2.gz BFEPACGRNAHFFI-UHFFFAOYSA-N 1 2 339.505 3.447 20 30 EGEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ncc(Br)s1 ZINC000180319666 1294879746 /nfs/dbraw/zinc/87/97/46/1294879746.db2.gz YIPPNCYUHXUILO-SNAWJCMRSA-N 1 2 334.198 3.449 20 30 EGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000182031809 1295014063 /nfs/dbraw/zinc/01/40/63/1295014063.db2.gz UDGMFDPPJXFYAD-CQSZACIVSA-N 1 2 332.363 3.415 20 30 EGEDLO CCOc1ccc(C(C)=O)cc1CO[NH+]=C(N)c1ccc(OC)cc1 ZINC000194261488 1295963137 /nfs/dbraw/zinc/96/31/37/1295963137.db2.gz AYLIZGWOMQDWJM-UHFFFAOYSA-N 1 2 342.395 3.134 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](C)C2CCCC2)c1=S ZINC000194571285 1295988000 /nfs/dbraw/zinc/98/80/00/1295988000.db2.gz OYOLJBOKGJNNIH-UHFFFAOYSA-N 1 2 329.473 3.494 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](C)C2CCCC2)c1=S ZINC000194571285 1295988010 /nfs/dbraw/zinc/98/80/10/1295988010.db2.gz OYOLJBOKGJNNIH-UHFFFAOYSA-N 1 2 329.473 3.494 20 30 EGEDLO CN1C(=O)CCc2cc(C(=O)/C=C\c3cccc4[nH+]ccn43)ccc21 ZINC000255125571 1296501311 /nfs/dbraw/zinc/50/13/11/1296501311.db2.gz GSUSALGQBUERMB-CLFYSBASSA-N 1 2 331.375 3.139 20 30 EGEDLO COc1cccc(/C=[NH+]\C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1O ZINC000255888014 1296575627 /nfs/dbraw/zinc/57/56/27/1296575627.db2.gz QUJYZMMEFFDTSS-GQFJFNLSSA-N 1 2 348.443 3.467 20 30 EGEDLO COC[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(Br)c1 ZINC000871924081 1296611662 /nfs/dbraw/zinc/61/16/62/1296611662.db2.gz CIVIOUXUDKCLSN-SWLSCSKDSA-N 1 2 336.233 3.170 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000397618063 1297700662 /nfs/dbraw/zinc/70/06/62/1297700662.db2.gz QYXSJWXKJHBADI-NSHDSACASA-N 1 2 338.205 3.483 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000397618063 1297700669 /nfs/dbraw/zinc/70/06/69/1297700669.db2.gz QYXSJWXKJHBADI-NSHDSACASA-N 1 2 338.205 3.483 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC000586067405 1298049539 /nfs/dbraw/zinc/04/95/39/1298049539.db2.gz WGQWEWXPDCNWNX-QGZVFWFLSA-N 1 2 337.398 3.092 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC000586067405 1298049550 /nfs/dbraw/zinc/04/95/50/1298049550.db2.gz WGQWEWXPDCNWNX-QGZVFWFLSA-N 1 2 337.398 3.092 20 30 EGEDLO CCn1c(N[NH+]=C(C)c2ccc(N(C)C)cc2)nc2ccccc2c1=O ZINC000725843100 1298371811 /nfs/dbraw/zinc/37/18/11/1298371811.db2.gz RBSVCRXNUPJLOH-UHFFFAOYSA-N 1 2 349.438 3.319 20 30 EGEDLO C=CCn1nnn(C[N@H+](Cc2cccc(OC)c2)CC(C)C)c1=S ZINC000746054421 1298518899 /nfs/dbraw/zinc/51/88/99/1298518899.db2.gz STKMJJDQHHWQKB-UHFFFAOYSA-N 1 2 347.488 3.119 20 30 EGEDLO C=CCn1nnn(C[N@@H+](Cc2cccc(OC)c2)CC(C)C)c1=S ZINC000746054421 1298518903 /nfs/dbraw/zinc/51/89/03/1298518903.db2.gz STKMJJDQHHWQKB-UHFFFAOYSA-N 1 2 347.488 3.119 20 30 EGEDLO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000746456722 1298589816 /nfs/dbraw/zinc/58/98/16/1298589816.db2.gz GMYAGMOUCQHOQH-NSHDSACASA-N 1 2 349.406 3.370 20 30 EGEDLO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000746456722 1298589831 /nfs/dbraw/zinc/58/98/31/1298589831.db2.gz GMYAGMOUCQHOQH-NSHDSACASA-N 1 2 349.406 3.370 20 30 EGEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000748499217 1299025061 /nfs/dbraw/zinc/02/50/61/1299025061.db2.gz VOPFKLNYFFUGIW-HNNXBMFYSA-N 1 2 347.374 3.255 20 30 EGEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3ccc4c(c3)CCC(=O)N4)n21 ZINC000748997117 1299122357 /nfs/dbraw/zinc/12/23/57/1299122357.db2.gz FNURQQRIZSENKS-CLFYSBASSA-N 1 2 331.375 3.424 20 30 EGEDLO Cc1cc(CO[NH+]=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)on1 ZINC000749355237 1299200495 /nfs/dbraw/zinc/20/04/95/1299200495.db2.gz LLCDJAOVPRHJNM-UHFFFAOYSA-N 1 2 330.344 3.042 20 30 EGEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@@H](c3ccc(OC)cc3)C2)c1=S ZINC000749888914 1299293251 /nfs/dbraw/zinc/29/32/51/1299293251.db2.gz ZAHRBCCXUQFLQT-MRXNPFEDSA-N 1 2 344.484 3.364 20 30 EGEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@@H](c3ccc(OC)cc3)C2)c1=S ZINC000749888914 1299293260 /nfs/dbraw/zinc/29/32/60/1299293260.db2.gz ZAHRBCCXUQFLQT-MRXNPFEDSA-N 1 2 344.484 3.364 20 30 EGEDLO C#CCNC(=O)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2F)CC1 ZINC000878019642 1299710185 /nfs/dbraw/zinc/71/01/85/1299710185.db2.gz XXGNRVVRGUCJSU-UHFFFAOYSA-N 1 2 343.229 3.094 20 30 EGEDLO C#C[C@@H](NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)C(C)(C)C ZINC000878626710 1300115154 /nfs/dbraw/zinc/11/51/54/1300115154.db2.gz GPEDVSWDQAYMJZ-CRAIPNDOSA-N 1 2 343.471 3.249 20 30 EGEDLO CN(C)c1ncc(C=[NH+]Nc2ccccc2Br)s1 ZINC000755628725 1300369613 /nfs/dbraw/zinc/36/96/13/1300369613.db2.gz KNBAUCNRUIKQIJ-UHFFFAOYSA-N 1 2 325.235 3.418 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC000879223546 1300435255 /nfs/dbraw/zinc/43/52/55/1300435255.db2.gz TYOQCZKKDWQDFP-IUODEOHRSA-N 1 2 333.407 3.185 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(C#N)ccc1F ZINC000879223546 1300435262 /nfs/dbraw/zinc/43/52/62/1300435262.db2.gz TYOQCZKKDWQDFP-IUODEOHRSA-N 1 2 333.407 3.185 20 30 EGEDLO C=CCCc1ccccc1NC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000879495873 1300564709 /nfs/dbraw/zinc/56/47/09/1300564709.db2.gz YRVXWLVZQKUGEB-KRWDZBQOSA-N 1 2 331.460 3.038 20 30 EGEDLO C=CCCc1ccccc1NC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000879495873 1300564712 /nfs/dbraw/zinc/56/47/12/1300564712.db2.gz YRVXWLVZQKUGEB-KRWDZBQOSA-N 1 2 331.460 3.038 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2CCC[C@@H]2CC)c1=S ZINC000764972588 1302178715 /nfs/dbraw/zinc/17/87/15/1302178715.db2.gz NKIRCOFHPNEZLO-AWEZNQCLSA-N 1 2 329.473 3.494 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2CCC[C@@H]2CC)c1=S ZINC000764972588 1302178718 /nfs/dbraw/zinc/17/87/18/1302178718.db2.gz NKIRCOFHPNEZLO-AWEZNQCLSA-N 1 2 329.473 3.494 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2C[C@@H](C)C[C@H]2CC)c1=S ZINC000765059061 1302191513 /nfs/dbraw/zinc/19/15/13/1302191513.db2.gz YOZZZGMIPXFIGK-UONOGXRCSA-N 1 2 344.488 3.135 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2C[C@@H](C)C[C@H]2CC)c1=S ZINC000765059061 1302191518 /nfs/dbraw/zinc/19/15/18/1302191518.db2.gz YOZZZGMIPXFIGK-UONOGXRCSA-N 1 2 344.488 3.135 20 30 EGEDLO C/C(=C\c1ccccc1)C[N@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766632661 1302491921 /nfs/dbraw/zinc/49/19/21/1302491921.db2.gz BRIQKWCIXHRTBJ-LFIBNONCSA-N 1 2 333.435 3.201 20 30 EGEDLO C/C(=C\c1ccccc1)C[N@@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766632661 1302491925 /nfs/dbraw/zinc/49/19/25/1302491925.db2.gz BRIQKWCIXHRTBJ-LFIBNONCSA-N 1 2 333.435 3.201 20 30 EGEDLO C[C@H]1CC(=NNc2cnnc(O)c2Cl)C[N@@H+](Cc2ccccc2)C1 ZINC000767362359 1302649984 /nfs/dbraw/zinc/64/99/84/1302649984.db2.gz WEPHTLNHRZRYFQ-LBPRGKRZSA-N 1 2 345.834 3.146 20 30 EGEDLO C[C@H]1CC(=NNc2cnnc(O)c2Cl)C[N@H+](Cc2ccccc2)C1 ZINC000767362359 1302649990 /nfs/dbraw/zinc/64/99/90/1302649990.db2.gz WEPHTLNHRZRYFQ-LBPRGKRZSA-N 1 2 345.834 3.146 20 30 EGEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000769960664 1303198917 /nfs/dbraw/zinc/19/89/17/1303198917.db2.gz GDFZOTCTAIUIHF-CQSZACIVSA-N 1 2 340.471 3.374 20 30 EGEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000769960664 1303198920 /nfs/dbraw/zinc/19/89/20/1303198920.db2.gz GDFZOTCTAIUIHF-CQSZACIVSA-N 1 2 340.471 3.374 20 30 EGEDLO C[NH+]1CCN(c2ccc(/C=C/C(=O)c3cc(F)ccc3O)cc2)CC1 ZINC000771525252 1303417706 /nfs/dbraw/zinc/41/77/06/1303417706.db2.gz PJCHSQOBBUNGIB-XBXARRHUSA-N 1 2 340.398 3.179 20 30 EGEDLO C#CC[N@@H+](CN1Cc2ccc(F)cc2C1=O)[C@H]1CCc2ccccc21 ZINC000771623464 1303426082 /nfs/dbraw/zinc/42/60/82/1303426082.db2.gz OGVBGWXZBRLJBS-FQEVSTJZSA-N 1 2 334.394 3.362 20 30 EGEDLO C#CC[N@H+](CN1Cc2ccc(F)cc2C1=O)[C@H]1CCc2ccccc21 ZINC000771623464 1303426085 /nfs/dbraw/zinc/42/60/85/1303426085.db2.gz OGVBGWXZBRLJBS-FQEVSTJZSA-N 1 2 334.394 3.362 20 30 EGEDLO C#CCOc1ccccc1NC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000776087673 1304093203 /nfs/dbraw/zinc/09/32/03/1304093203.db2.gz QGSSEANUEZUFGK-QGZVFWFLSA-N 1 2 340.427 3.132 20 30 EGEDLO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccoc2C(=O)OC)c1 ZINC000776185484 1304108262 /nfs/dbraw/zinc/10/82/62/1304108262.db2.gz LUMDIHPOEJFMMX-OAHLLOKOSA-N 1 2 328.368 3.037 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C2=NCC(C)(C)S2)CC1 ZINC000777834066 1304352713 /nfs/dbraw/zinc/35/27/13/1304352713.db2.gz POSCNPUGJIBNDY-AWEZNQCLSA-N 1 2 328.485 3.118 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@@](C)(C2CCCC2)CC1=O ZINC000780426305 1304689616 /nfs/dbraw/zinc/68/96/16/1304689616.db2.gz PWMBZZXBKPLCBK-FQEVSTJZSA-N 1 2 325.456 3.376 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C[C@@](C)(C2CCCC2)CC1=O ZINC000780426305 1304689622 /nfs/dbraw/zinc/68/96/22/1304689622.db2.gz PWMBZZXBKPLCBK-FQEVSTJZSA-N 1 2 325.456 3.376 20 30 EGEDLO CC(=[NH+]Nc1ccnc(F)c1)c1c(F)cccc1N1CCOCC1 ZINC000781134113 1304776620 /nfs/dbraw/zinc/77/66/20/1304776620.db2.gz RMXBNRZCRFEBEX-UHFFFAOYSA-N 1 2 332.354 3.033 20 30 EGEDLO Cc1nc(CO[NH+]=C(N)c2ccc(Br)cc2)sc1C ZINC000782949564 1305027809 /nfs/dbraw/zinc/02/78/09/1305027809.db2.gz JEVCEJYOGHZEEN-UHFFFAOYSA-N 1 2 340.246 3.360 20 30 EGEDLO C[C@@H]1Cc2cc(C[N@@H+]3CCO[C@H](c4cccc(C#N)c4)C3)ccc2O1 ZINC000892245006 1305293501 /nfs/dbraw/zinc/29/35/01/1305293501.db2.gz OKIPLZVIZCUQEG-VFNWGFHPSA-N 1 2 334.419 3.455 20 30 EGEDLO C[C@@H]1Cc2cc(C[N@H+]3CCO[C@H](c4cccc(C#N)c4)C3)ccc2O1 ZINC000892245006 1305293505 /nfs/dbraw/zinc/29/35/05/1305293505.db2.gz OKIPLZVIZCUQEG-VFNWGFHPSA-N 1 2 334.419 3.455 20 30 EGEDLO N#Cc1ncc(Br)cc1NCCc1cn2ccccc2[nH+]1 ZINC000787894862 1305819802 /nfs/dbraw/zinc/81/98/02/1305819802.db2.gz QARVWUNQGQMWJD-UHFFFAOYSA-N 1 2 342.200 3.018 20 30 EGEDLO C[C@@H]1C[N@H+](Cn2nc(CC#N)n(C)c2=S)CC[C@@H]1c1ccccc1 ZINC000794632582 1309559846 /nfs/dbraw/zinc/55/98/46/1309559846.db2.gz KNYJUSDZNGWETI-ZBFHGGJFSA-N 1 2 341.484 3.100 20 30 EGEDLO C[C@@H]1C[N@@H+](Cn2nc(CC#N)n(C)c2=S)CC[C@@H]1c1ccccc1 ZINC000794632582 1309559855 /nfs/dbraw/zinc/55/98/55/1309559855.db2.gz KNYJUSDZNGWETI-ZBFHGGJFSA-N 1 2 341.484 3.100 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccccc1)CN1C(=O)N[C@H](CCCC)C1=O ZINC000794650042 1309564083 /nfs/dbraw/zinc/56/40/83/1309564083.db2.gz GQBSAEFFXNVUHC-QGZVFWFLSA-N 1 2 329.444 3.133 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccccc1)CN1C(=O)N[C@H](CCCC)C1=O ZINC000794650042 1309564085 /nfs/dbraw/zinc/56/40/85/1309564085.db2.gz GQBSAEFFXNVUHC-QGZVFWFLSA-N 1 2 329.444 3.133 20 30 EGEDLO C#Cc1ccc(C(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000896755565 1309999235 /nfs/dbraw/zinc/99/92/35/1309999235.db2.gz CGQLFJUXSXIWAI-UHFFFAOYSA-N 1 2 347.462 3.442 20 30 EGEDLO C=C(C)CNC(=S)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000797411137 1310186292 /nfs/dbraw/zinc/18/62/92/1310186292.db2.gz MXYRWTSAEVSGQK-UHFFFAOYSA-N 1 2 348.903 3.489 20 30 EGEDLO C#C[C@@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)C(C)C ZINC000799182445 1310502612 /nfs/dbraw/zinc/50/26/12/1310502612.db2.gz RHRUNFXSZNBISS-UKRRQHHQSA-N 1 2 334.489 3.154 20 30 EGEDLO C#C[C@@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)C(C)C ZINC000799182445 1310502617 /nfs/dbraw/zinc/50/26/17/1310502617.db2.gz RHRUNFXSZNBISS-UKRRQHHQSA-N 1 2 334.489 3.154 20 30 EGEDLO Cc1ccc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)cc1C#N ZINC000799339357 1310529656 /nfs/dbraw/zinc/52/96/56/1310529656.db2.gz MMVSOPOHVSAELO-UHFFFAOYSA-N 1 2 349.434 3.260 20 30 EGEDLO COc1ccc(C(N)=[NH+]OC[C@@H](OC)c2ccc(Cl)cc2)cc1 ZINC000800867435 1310821029 /nfs/dbraw/zinc/82/10/29/1310821029.db2.gz CCPCJOYSTQYKBE-MRXNPFEDSA-N 1 2 334.803 3.373 20 30 EGEDLO C=C1C[NH+](C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000899899711 1317198484 /nfs/dbraw/zinc/19/84/84/1317198484.db2.gz ANBGVCLTJNEREG-IBGZPJMESA-N 1 2 345.389 3.304 20 30 EGEDLO C#Cc1ccc(C(=O)N(CC)C2C[NH+](Cc3cc(C)cc(C)c3)C2)nc1 ZINC000957290371 1317263763 /nfs/dbraw/zinc/26/37/63/1317263763.db2.gz VOIQEJLLQYEZFL-UHFFFAOYSA-N 1 2 347.462 3.026 20 30 EGEDLO Cc1ccc([C@H](C)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000957373515 1317320308 /nfs/dbraw/zinc/32/03/08/1317320308.db2.gz QWHFQGXMZQLVMF-SFHVURJKSA-N 1 2 347.462 3.315 20 30 EGEDLO N#CC(C(=O)C1CC[NH+](C2CC2)CC1)c1nc2cc(F)ccc2s1 ZINC000805877442 1317433621 /nfs/dbraw/zinc/43/36/21/1317433621.db2.gz HSEUKAJPSDJBRJ-AWEZNQCLSA-N 1 2 343.427 3.486 20 30 EGEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1ccc(N2CCC(O)CC2)cc1 ZINC000901474388 1317433794 /nfs/dbraw/zinc/43/37/94/1317433794.db2.gz YRSMULMXFGLKOS-FPLPWBNLSA-N 1 2 339.439 3.321 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(Cl)cc1F ZINC000809698802 1317868520 /nfs/dbraw/zinc/86/85/20/1317868520.db2.gz GEZYSCSEEGWKGT-CQSZACIVSA-N 1 2 333.746 3.378 20 30 EGEDLO Cc1ncccc1CO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000809994969 1317933777 /nfs/dbraw/zinc/93/37/77/1317933777.db2.gz JHYIEEUVZOQNHW-UHFFFAOYSA-N 1 2 348.406 3.201 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000810034272 1317940157 /nfs/dbraw/zinc/94/01/57/1317940157.db2.gz SMHJLRKVIAHJLW-CQSZACIVSA-N 1 2 345.281 3.418 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000810034272 1317940159 /nfs/dbraw/zinc/94/01/59/1317940159.db2.gz SMHJLRKVIAHJLW-CQSZACIVSA-N 1 2 345.281 3.418 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000911965256 1318786910 /nfs/dbraw/zinc/78/69/10/1318786910.db2.gz XHJPPEURGZABOV-MRXNPFEDSA-N 1 2 325.478 3.152 20 30 EGEDLO CCC(=[NH+]NC(=S)NCCc1cccs1)c1cccc(N)c1 ZINC000814793169 1318819188 /nfs/dbraw/zinc/81/91/88/1318819188.db2.gz PFWFYUVHAVLVPM-UHFFFAOYSA-N 1 2 332.498 3.151 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2nocc2C)CC1 ZINC000960831627 1318960303 /nfs/dbraw/zinc/96/03/03/1318960303.db2.gz LWXARARKLDKABO-QGZVFWFLSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2nocc2C)CC1 ZINC000960831627 1318960315 /nfs/dbraw/zinc/96/03/15/1318960315.db2.gz LWXARARKLDKABO-QGZVFWFLSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]2C[N@@H+](C)[C@@H](C)c2ncc(C)o2)C1 ZINC000960846486 1318984860 /nfs/dbraw/zinc/98/48/60/1318984860.db2.gz LKFSUCMYHYIKTD-HOTGVXAUSA-N 1 2 331.460 3.323 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]2C[N@H+](C)[C@@H](C)c2ncc(C)o2)C1 ZINC000960846486 1318984868 /nfs/dbraw/zinc/98/48/68/1318984868.db2.gz LKFSUCMYHYIKTD-HOTGVXAUSA-N 1 2 331.460 3.323 20 30 EGEDLO C[C@@H]1CCCC[C@H]1N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000914596191 1319352777 /nfs/dbraw/zinc/35/27/77/1319352777.db2.gz CXLYSDXTQOZKIL-ZIAGYGMSSA-N 1 2 338.455 3.225 20 30 EGEDLO NC(=[NH2+])NN=Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 ZINC000915050936 1319414905 /nfs/dbraw/zinc/41/49/05/1319414905.db2.gz PAJKGLKLFIOEHS-UHFFFAOYSA-N 1 2 338.802 3.010 20 30 EGEDLO CCCCCCCCC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000915088415 1319419680 /nfs/dbraw/zinc/41/96/80/1319419680.db2.gz QAJDWOLOGSOBRR-SFHVURJKSA-N 1 2 342.549 3.061 20 30 EGEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000821481219 1320016738 /nfs/dbraw/zinc/01/67/38/1320016738.db2.gz HUTPOJKFMGESJY-NSHDSACASA-N 1 2 331.445 3.324 20 30 EGEDLO C=CCOc1ccc(-c2nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no2)cc1 ZINC000823397543 1320175921 /nfs/dbraw/zinc/17/59/21/1320175921.db2.gz MPBKJQXLCONKEG-AWEZNQCLSA-N 1 2 345.399 3.033 20 30 EGEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000824861306 1320292634 /nfs/dbraw/zinc/29/26/34/1320292634.db2.gz KNYIFDYQOJCUBE-UHFFFAOYSA-N 1 2 342.370 3.364 20 30 EGEDLO N#Cc1ccc(C2=CC[N@H+](CN3C(=O)[C@H](C4CC4)[C@@H]3C3CC3)CC2)cc1 ZINC000840036338 1321017737 /nfs/dbraw/zinc/01/77/37/1321017737.db2.gz GIXIBIJHADHUFW-RTWAWAEBSA-N 1 2 347.462 3.252 20 30 EGEDLO N#Cc1ccc(C2=CC[N@@H+](CN3C(=O)[C@H](C4CC4)[C@@H]3C3CC3)CC2)cc1 ZINC000840036338 1321017741 /nfs/dbraw/zinc/01/77/41/1321017741.db2.gz GIXIBIJHADHUFW-RTWAWAEBSA-N 1 2 347.462 3.252 20 30 EGEDLO CN(C)c1ccc([NH+]2CCC(Nc3ncc(C#N)cc3F)CC2)cc1 ZINC000840269415 1321063124 /nfs/dbraw/zinc/06/31/24/1321063124.db2.gz RZRHBDMVXPLDNC-UHFFFAOYSA-N 1 2 339.418 3.239 20 30 EGEDLO Cc1cc(C(N)=[NH+]OCc2cnc3c(cnn3C(C)C)c2)ccc1F ZINC000842023775 1321336470 /nfs/dbraw/zinc/33/64/70/1321336470.db2.gz YXZUFAORYYAQEE-UHFFFAOYSA-N 1 2 341.390 3.297 20 30 EGEDLO C#CC1CC[NH+](Cn2c3c(sc2=O)C[C@H](C(C)(C)C)CC3)CC1 ZINC000842634120 1321410573 /nfs/dbraw/zinc/41/05/73/1321410573.db2.gz OTWVTNCRNHLYEN-OAHLLOKOSA-N 1 2 332.513 3.364 20 30 EGEDLO COc1c(C)c[nH+]c(CNC(=O)[C@H](C)Cc2ccc(C#N)cc2)c1C ZINC000846843766 1321815879 /nfs/dbraw/zinc/81/58/79/1321815879.db2.gz CBMPAXIOJLBUPJ-CYBMUJFWSA-N 1 2 337.423 3.074 20 30 EGEDLO Cc1csc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1C#N ZINC000847189081 1321850107 /nfs/dbraw/zinc/85/01/07/1321850107.db2.gz YMPCZDZPGABKOZ-ZDUSSCGKSA-N 1 2 331.445 3.361 20 30 EGEDLO N#Cc1csc(C(=O)OCC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000851399741 1323030645 /nfs/dbraw/zinc/03/06/45/1323030645.db2.gz GGXPMZMTLFEYIZ-UHFFFAOYSA-N 1 2 327.409 3.088 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccc(SC(F)F)cc1)[C@@H](C)COC ZINC000852358203 1323183121 /nfs/dbraw/zinc/18/31/21/1323183121.db2.gz OSOAKSDVMYAKRP-LBPRGKRZSA-N 1 2 344.427 3.463 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(SC(F)F)cc1)[C@@H](C)COC ZINC000852358203 1323183126 /nfs/dbraw/zinc/18/31/26/1323183126.db2.gz OSOAKSDVMYAKRP-LBPRGKRZSA-N 1 2 344.427 3.463 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1CNC(=O)c1cccs1 ZINC001024316030 1323300613 /nfs/dbraw/zinc/30/06/13/1323300613.db2.gz GNNXCSGILFPUTL-KRWDZBQOSA-N 1 2 339.464 3.404 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccs1 ZINC001024316030 1323300617 /nfs/dbraw/zinc/30/06/17/1323300617.db2.gz GNNXCSGILFPUTL-KRWDZBQOSA-N 1 2 339.464 3.404 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cncc(Cl)c1C ZINC001024491851 1323441147 /nfs/dbraw/zinc/44/11/47/1323441147.db2.gz GTAQJZFUCTXCEG-CYBMUJFWSA-N 1 2 342.270 3.380 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cncc(Cl)c1C ZINC001024491851 1323441156 /nfs/dbraw/zinc/44/11/56/1323441156.db2.gz GTAQJZFUCTXCEG-CYBMUJFWSA-N 1 2 342.270 3.380 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(OC)c(F)c1 ZINC001024488948 1323441577 /nfs/dbraw/zinc/44/15/77/1323441577.db2.gz YJNUNKOVKIYKHF-CQSZACIVSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(OC)c(F)c1 ZINC001024488948 1323441582 /nfs/dbraw/zinc/44/15/82/1323441582.db2.gz YJNUNKOVKIYKHF-CQSZACIVSA-N 1 2 340.826 3.171 20 30 EGEDLO Cc1coc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)c1 ZINC001024612488 1323539206 /nfs/dbraw/zinc/53/92/06/1323539206.db2.gz OJTDTGHBLRZORQ-GOSISDBHSA-N 1 2 337.423 3.244 20 30 EGEDLO Cc1coc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)c1 ZINC001024612488 1323539209 /nfs/dbraw/zinc/53/92/09/1323539209.db2.gz OJTDTGHBLRZORQ-GOSISDBHSA-N 1 2 337.423 3.244 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001024620417 1323549282 /nfs/dbraw/zinc/54/92/82/1323549282.db2.gz UHKUVWPWPHJCKP-WBVHZDCISA-N 1 2 336.838 3.189 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001024620417 1323549288 /nfs/dbraw/zinc/54/92/88/1323549288.db2.gz UHKUVWPWPHJCKP-WBVHZDCISA-N 1 2 336.838 3.189 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ncccc1Cl ZINC001024768487 1323667244 /nfs/dbraw/zinc/66/72/44/1323667244.db2.gz ROVOVCAULRTMSS-LBPRGKRZSA-N 1 2 328.243 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ncccc1Cl ZINC001024768487 1323667251 /nfs/dbraw/zinc/66/72/51/1323667251.db2.gz ROVOVCAULRTMSS-LBPRGKRZSA-N 1 2 328.243 3.072 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](O)c1c(F)cccc1F ZINC000853367675 1325085885 /nfs/dbraw/zinc/08/58/85/1325085885.db2.gz QQDOZLUZBUAGQE-OAHLLOKOSA-N 1 2 332.350 3.298 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1N[C@H](C)CNC(=O)OC(C)(C)C ZINC000853481980 1325101343 /nfs/dbraw/zinc/10/13/43/1325101343.db2.gz OWVGHYSPMPGHPD-CQSZACIVSA-N 1 2 333.432 3.199 20 30 EGEDLO C=CC[C@@H]1CCC[N@@H+](Cn2nc(-c3ccccn3)n(C)c2=S)C1 ZINC000853537125 1325119096 /nfs/dbraw/zinc/11/90/96/1325119096.db2.gz PNGFHBCXGYVXRB-CQSZACIVSA-N 1 2 329.473 3.259 20 30 EGEDLO C=CC[C@@H]1CCC[N@H+](Cn2nc(-c3ccccn3)n(C)c2=S)C1 ZINC000853537125 1325119099 /nfs/dbraw/zinc/11/90/99/1325119099.db2.gz PNGFHBCXGYVXRB-CQSZACIVSA-N 1 2 329.473 3.259 20 30 EGEDLO CCc1nc(C)c(CO[NH+]=C(N)c2ccc(Br)cc2)o1 ZINC000853685537 1325147184 /nfs/dbraw/zinc/14/71/84/1325147184.db2.gz WUHOTJPJBKHJGM-UHFFFAOYSA-N 1 2 338.205 3.145 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](CO)c1ccc(F)cc1 ZINC000853691263 1325149058 /nfs/dbraw/zinc/14/90/58/1325149058.db2.gz YSMPRXGHFODNPU-MRXNPFEDSA-N 1 2 328.387 3.201 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2cscn2)C1 ZINC001027426208 1327661421 /nfs/dbraw/zinc/66/14/21/1327661421.db2.gz RHHGDUUBBAORKW-AWEZNQCLSA-N 1 2 341.908 3.345 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]([N@H+](C)Cc2cscn2)C1 ZINC001027426208 1327661416 /nfs/dbraw/zinc/66/14/16/1327661416.db2.gz RHHGDUUBBAORKW-AWEZNQCLSA-N 1 2 341.908 3.345 20 30 EGEDLO N#C[C@H](CCc1ccccc1)C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927077297 1327845926 /nfs/dbraw/zinc/84/59/26/1327845926.db2.gz KEUODDKSSFNXJO-SFHVURJKSA-N 1 2 348.450 3.257 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@H+](C)Cc3ncc(C)o3)C2)CC1 ZINC001027559076 1327867624 /nfs/dbraw/zinc/86/76/24/1327867624.db2.gz NUQRGKLXRGGRDG-QGZVFWFLSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3ncc(C)o3)C2)CC1 ZINC001027559076 1327867629 /nfs/dbraw/zinc/86/76/29/1327867629.db2.gz NUQRGKLXRGGRDG-QGZVFWFLSA-N 1 2 331.460 3.152 20 30 EGEDLO CC[C@H]([NH2+]CCNc1ccc(C#N)cn1)c1cccc(Cl)c1O ZINC000927167300 1327904757 /nfs/dbraw/zinc/90/47/57/1327904757.db2.gz IOFBWVJMGMRNKP-HNNXBMFYSA-N 1 2 330.819 3.465 20 30 EGEDLO Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@@H]1C ZINC000965172786 1327905934 /nfs/dbraw/zinc/90/59/34/1327905934.db2.gz CKUTUIICYSYCGX-QFBILLFUSA-N 1 2 336.435 3.080 20 30 EGEDLO Cc1ccoc1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)CC[C@@H]1C ZINC000965172786 1327905938 /nfs/dbraw/zinc/90/59/38/1327905938.db2.gz CKUTUIICYSYCGX-QFBILLFUSA-N 1 2 336.435 3.080 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(Cl)o1 ZINC001049322583 1347789777 /nfs/dbraw/zinc/78/97/77/1347789777.db2.gz NHLJBKXRJZPKKJ-RYUDHWBXSA-N 1 2 329.227 3.364 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(Cl)o1 ZINC001049322583 1347789778 /nfs/dbraw/zinc/78/97/78/1347789778.db2.gz NHLJBKXRJZPKKJ-RYUDHWBXSA-N 1 2 329.227 3.364 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2ccc(F)cc2F)C1 ZINC000966239629 1328234459 /nfs/dbraw/zinc/23/44/59/1328234459.db2.gz WOWUBJULUWNVHW-MEDUHNTESA-N 1 2 342.817 3.086 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2ccc(F)cc2F)C1 ZINC000966239629 1328234464 /nfs/dbraw/zinc/23/44/64/1328234464.db2.gz WOWUBJULUWNVHW-MEDUHNTESA-N 1 2 342.817 3.086 20 30 EGEDLO Cc1cc(C)c(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2C#N)o1 ZINC001027806497 1328250117 /nfs/dbraw/zinc/25/01/17/1328250117.db2.gz IJUPJTIUOAJMLG-GOSISDBHSA-N 1 2 337.423 3.163 20 30 EGEDLO Cc1cc(C)c(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2C#N)o1 ZINC001027806497 1328250125 /nfs/dbraw/zinc/25/01/25/1328250125.db2.gz IJUPJTIUOAJMLG-GOSISDBHSA-N 1 2 337.423 3.163 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H]1CNC(=O)c1sccc1F ZINC001027862664 1328322804 /nfs/dbraw/zinc/32/28/04/1328322804.db2.gz UFNGAKKBHGDJAO-HNNXBMFYSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1CNC(=O)c1sccc1F ZINC001027862664 1328322807 /nfs/dbraw/zinc/32/28/07/1328322807.db2.gz UFNGAKKBHGDJAO-HNNXBMFYSA-N 1 2 343.427 3.153 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000934629016 1329994317 /nfs/dbraw/zinc/99/43/17/1329994317.db2.gz LXPQEDLLHOMULH-HOTGVXAUSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000934629016 1329994319 /nfs/dbraw/zinc/99/43/19/1329994319.db2.gz LXPQEDLLHOMULH-HOTGVXAUSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2CC(C)(C)C2)C[C@@H]1C ZINC000947271887 1333072992 /nfs/dbraw/zinc/07/29/92/1333072992.db2.gz OUUMSATZKYQHHQ-JSGCOSHPSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2CC(C)(C)C2)C[C@@H]1C ZINC000947271887 1333072994 /nfs/dbraw/zinc/07/29/94/1333072994.db2.gz OUUMSATZKYQHHQ-JSGCOSHPSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cc(C)co2)C[C@H]1C ZINC000947617192 1333193654 /nfs/dbraw/zinc/19/36/54/1333193654.db2.gz WRXLVOOWTLJGAM-OLZOCXBDSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)co2)C[C@H]1C ZINC000947617192 1333193657 /nfs/dbraw/zinc/19/36/57/1333193657.db2.gz WRXLVOOWTLJGAM-OLZOCXBDSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CCC[N@@H+]([C@@H](C)c3csnn3)CC2)C1 ZINC000948752758 1333661855 /nfs/dbraw/zinc/66/18/55/1333661855.db2.gz CDUOBXGEJNKUKI-GJZGRUSLSA-N 1 2 348.516 3.268 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CCC[N@H+]([C@@H](C)c3csnn3)CC2)C1 ZINC000948752758 1333661858 /nfs/dbraw/zinc/66/18/58/1333661858.db2.gz CDUOBXGEJNKUKI-GJZGRUSLSA-N 1 2 348.516 3.268 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccoc1CC ZINC000948913804 1333732260 /nfs/dbraw/zinc/73/22/60/1333732260.db2.gz YQVVHRCWDDCPJU-LJQANCHMSA-N 1 2 336.435 3.195 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccoc1CC ZINC000948913804 1333732262 /nfs/dbraw/zinc/73/22/62/1333732262.db2.gz YQVVHRCWDDCPJU-LJQANCHMSA-N 1 2 336.435 3.195 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(F)ccc1C ZINC000948945982 1333743579 /nfs/dbraw/zinc/74/35/79/1333743579.db2.gz GDSBBEKSAUNDIN-HXUWFJFHSA-N 1 2 336.410 3.097 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(F)ccc1C ZINC000948945982 1333743582 /nfs/dbraw/zinc/74/35/82/1333743582.db2.gz GDSBBEKSAUNDIN-HXUWFJFHSA-N 1 2 336.410 3.097 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](C[C@@H](O)c2ccc(CC)cc2)CC1 ZINC000949627603 1333885214 /nfs/dbraw/zinc/88/52/14/1333885214.db2.gz KEHPUIUHVSBGEF-LJQANCHMSA-N 1 2 344.499 3.029 20 30 EGEDLO C=C1CCC(C(=O)N2CC[NH+](Cc3cc(C)ccc3OC)CC2)CC1 ZINC000950046489 1334000626 /nfs/dbraw/zinc/00/06/26/1334000626.db2.gz BSQWORHCVKCAOY-UHFFFAOYSA-N 1 2 342.483 3.394 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[NH+](CCO[C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000950373157 1334053394 /nfs/dbraw/zinc/05/33/94/1334053394.db2.gz IWRDWZLWECBTKX-QZTJIDSGSA-N 1 2 334.504 3.082 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC001112896484 1369077292 /nfs/dbraw/zinc/07/72/92/1369077292.db2.gz ZQGPIONCQMUBOX-CYBMUJFWSA-N 1 2 333.303 3.317 20 30 EGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](Cc2csc(C)c2)CC1 ZINC000951594943 1334276372 /nfs/dbraw/zinc/27/63/72/1334276372.db2.gz PPVCAJNPVJEPQR-ROUUACIJSA-N 1 2 348.512 3.072 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@H](C)C1 ZINC001063770075 1351997400 /nfs/dbraw/zinc/99/74/00/1351997400.db2.gz OHBKGAOBAYVSHQ-RISCZKNCSA-N 1 2 336.867 3.213 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](Cc3nc(C)c(C)s3)CC[C@H]2C)C1 ZINC000968212613 1335873100 /nfs/dbraw/zinc/87/31/00/1335873100.db2.gz NPIAENTWONIKPW-CJNGLKHVSA-N 1 2 347.528 3.443 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](Cc3nc(C)c(C)s3)CC[C@H]2C)C1 ZINC000968212613 1335873102 /nfs/dbraw/zinc/87/31/02/1335873102.db2.gz NPIAENTWONIKPW-CJNGLKHVSA-N 1 2 347.528 3.443 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC000968622974 1335987078 /nfs/dbraw/zinc/98/70/78/1335987078.db2.gz DBWCEYOFMBDAIZ-MEBBXXQBSA-N 1 2 328.790 3.158 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC000968622974 1335987081 /nfs/dbraw/zinc/98/70/81/1335987081.db2.gz DBWCEYOFMBDAIZ-MEBBXXQBSA-N 1 2 328.790 3.158 20 30 EGEDLO C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)c1n[nH]c2ccc(C)cc21 ZINC000968931524 1336094263 /nfs/dbraw/zinc/09/42/63/1336094263.db2.gz RANHYZSXXUQAAN-INIZCTEOSA-N 1 2 340.471 3.422 20 30 EGEDLO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1n[nH]c2ccc(C)cc21 ZINC000968931524 1336094267 /nfs/dbraw/zinc/09/42/67/1336094267.db2.gz RANHYZSXXUQAAN-INIZCTEOSA-N 1 2 340.471 3.422 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1nc(CC)oc1C ZINC000969064073 1336136305 /nfs/dbraw/zinc/13/63/05/1336136305.db2.gz BLKQIEJIPPCQOZ-AWEZNQCLSA-N 1 2 339.867 3.272 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1nc(CC)oc1C ZINC000969064073 1336136306 /nfs/dbraw/zinc/13/63/06/1336136306.db2.gz BLKQIEJIPPCQOZ-AWEZNQCLSA-N 1 2 339.867 3.272 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1c(C)onc1CC ZINC000969141615 1336159452 /nfs/dbraw/zinc/15/94/52/1336159452.db2.gz HKNWMYBLCMFFFB-AWEZNQCLSA-N 1 2 339.867 3.272 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1c(C)onc1CC ZINC000969141615 1336159453 /nfs/dbraw/zinc/15/94/53/1336159453.db2.gz HKNWMYBLCMFFFB-AWEZNQCLSA-N 1 2 339.867 3.272 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1cnc(CC)s1 ZINC000969164835 1336169595 /nfs/dbraw/zinc/16/95/95/1336169595.db2.gz OQRVMALFUOXQLJ-ZDUSSCGKSA-N 1 2 341.908 3.432 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1cnc(CC)s1 ZINC000969164835 1336169598 /nfs/dbraw/zinc/16/95/98/1336169598.db2.gz OQRVMALFUOXQLJ-ZDUSSCGKSA-N 1 2 341.908 3.432 20 30 EGEDLO Cc1cc(C(=O)N[C@@H](C)C2C[NH+](Cc3ccccc3C#N)C2)c(C)o1 ZINC000969285215 1336192935 /nfs/dbraw/zinc/19/29/35/1336192935.db2.gz LLJWACMACQNLJV-AWEZNQCLSA-N 1 2 337.423 3.018 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(-c3cnco3)cc2)C1 ZINC000969968649 1336267564 /nfs/dbraw/zinc/26/75/64/1336267564.db2.gz KJNOOHRQYCUVFB-CYBMUJFWSA-N 1 2 345.830 3.144 20 30 EGEDLO C=C1CCC(C(=O)N[C@H](C)C2C[NH+](Cc3ccnc(Cl)c3)C2)CC1 ZINC000970375629 1336300144 /nfs/dbraw/zinc/30/01/44/1336300144.db2.gz GQYQRDMHFZVMHE-CQSZACIVSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(C(F)F)cc2)C1 ZINC000970593670 1336325785 /nfs/dbraw/zinc/32/57/85/1336325785.db2.gz OQSMUWABKFFAKY-LLVKDONJSA-N 1 2 328.790 3.427 20 30 EGEDLO C=C1CCC(C(=O)N(C)C2CC[NH+](Cc3coc(C)n3)CC2)CC1 ZINC001005938611 1336426502 /nfs/dbraw/zinc/42/65/02/1336426502.db2.gz TWUGMPDMYSFITL-UHFFFAOYSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2cc(C(C)C)no2)CC1 ZINC001006089842 1336450804 /nfs/dbraw/zinc/45/08/04/1336450804.db2.gz ZRTOPONMALAQOQ-UHFFFAOYSA-N 1 2 325.840 3.087 20 30 EGEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1cccs1 ZINC001006625428 1336541493 /nfs/dbraw/zinc/54/14/93/1336541493.db2.gz NKBQETIJOQKJTD-KRWDZBQOSA-N 1 2 342.439 3.133 20 30 EGEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)c1cccs1 ZINC001006625428 1336541496 /nfs/dbraw/zinc/54/14/96/1336541496.db2.gz NKBQETIJOQKJTD-KRWDZBQOSA-N 1 2 342.439 3.133 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)C1CC1 ZINC001007038829 1336630491 /nfs/dbraw/zinc/63/04/91/1336630491.db2.gz XFPGSJYBTIYHCX-DNVCBOLYSA-N 1 2 344.886 3.318 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)C1CC1 ZINC001007038829 1336630495 /nfs/dbraw/zinc/63/04/95/1336630495.db2.gz XFPGSJYBTIYHCX-DNVCBOLYSA-N 1 2 344.886 3.318 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)oc1C ZINC001007115105 1336645513 /nfs/dbraw/zinc/64/55/13/1336645513.db2.gz WMNISGFVRGGFEI-AWEZNQCLSA-N 1 2 343.452 3.224 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)oc1C ZINC001007115105 1336645515 /nfs/dbraw/zinc/64/55/15/1336645515.db2.gz WMNISGFVRGGFEI-AWEZNQCLSA-N 1 2 343.452 3.224 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)C1CCC1 ZINC001007594267 1336673409 /nfs/dbraw/zinc/67/34/09/1336673409.db2.gz HISKYISPVDGYNJ-UZLBHIALSA-N 1 2 342.458 3.194 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)C1CCC1 ZINC001007594267 1336673410 /nfs/dbraw/zinc/67/34/10/1336673410.db2.gz HISKYISPVDGYNJ-UZLBHIALSA-N 1 2 342.458 3.194 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C)c3cccnc23)C1 ZINC001007969088 1336740586 /nfs/dbraw/zinc/74/05/86/1336740586.db2.gz AJLRMHOQXZRMKI-OAHLLOKOSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)c3cccnc23)C1 ZINC001007969088 1336740587 /nfs/dbraw/zinc/74/05/87/1336740587.db2.gz AJLRMHOQXZRMKI-OAHLLOKOSA-N 1 2 343.858 3.490 20 30 EGEDLO C[C@@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(C#N)ccc3F)C2)C=CCC1 ZINC001008228940 1336798420 /nfs/dbraw/zinc/79/84/20/1336798420.db2.gz GPOITHXIDNJDGB-YLJYHZDGSA-N 1 2 341.430 3.134 20 30 EGEDLO C[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)C=CCC1 ZINC001008228940 1336798421 /nfs/dbraw/zinc/79/84/21/1336798421.db2.gz GPOITHXIDNJDGB-YLJYHZDGSA-N 1 2 341.430 3.134 20 30 EGEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)c1ccoc1C1CC1 ZINC001008318294 1336821384 /nfs/dbraw/zinc/82/13/84/1336821384.db2.gz WDXWSSGBLZUHNC-LJQANCHMSA-N 1 2 348.446 3.403 20 30 EGEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1ccoc1C1CC1 ZINC001008318294 1336821386 /nfs/dbraw/zinc/82/13/86/1336821386.db2.gz WDXWSSGBLZUHNC-LJQANCHMSA-N 1 2 348.446 3.403 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cc3cc(OC)ccc3[nH]2)C1 ZINC001008365443 1336835163 /nfs/dbraw/zinc/83/51/63/1336835163.db2.gz MYQKLHPRAXWXJX-AWEZNQCLSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cc3cc(OC)ccc3[nH]2)C1 ZINC001008365443 1336835166 /nfs/dbraw/zinc/83/51/66/1336835166.db2.gz MYQKLHPRAXWXJX-AWEZNQCLSA-N 1 2 347.846 3.123 20 30 EGEDLO Cc1cccc(CC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001008379261 1336837956 /nfs/dbraw/zinc/83/79/56/1336837956.db2.gz BDLAAGFYJIJQNY-OAQYLSRUSA-N 1 2 347.462 3.190 20 30 EGEDLO Cc1cccc(CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001008379261 1336837959 /nfs/dbraw/zinc/83/79/59/1336837959.db2.gz BDLAAGFYJIJQNY-OAQYLSRUSA-N 1 2 347.462 3.190 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3ncccc3c2)C1 ZINC001008387595 1336839725 /nfs/dbraw/zinc/83/97/25/1336839725.db2.gz SWHZTESVFATHFP-MRXNPFEDSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3ncccc3c2)C1 ZINC001008387595 1336839727 /nfs/dbraw/zinc/83/97/27/1336839727.db2.gz SWHZTESVFATHFP-MRXNPFEDSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)c2cccc(F)c2)C1 ZINC001008510593 1336872704 /nfs/dbraw/zinc/87/27/04/1336872704.db2.gz IMLFDDNDZAKJOE-INIZCTEOSA-N 1 2 338.854 3.436 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)c2cccc(F)c2)C1 ZINC001008510593 1336872706 /nfs/dbraw/zinc/87/27/06/1336872706.db2.gz IMLFDDNDZAKJOE-INIZCTEOSA-N 1 2 338.854 3.436 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)C1 ZINC001008657663 1336905203 /nfs/dbraw/zinc/90/52/03/1336905203.db2.gz IJZDWEHRMNNKTK-OAHLLOKOSA-N 1 2 349.837 3.183 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)C1 ZINC001008657663 1336905207 /nfs/dbraw/zinc/90/52/07/1336905207.db2.gz IJZDWEHRMNNKTK-OAHLLOKOSA-N 1 2 349.837 3.183 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2cc(C)c3ccccc32)C1 ZINC001008834765 1336932249 /nfs/dbraw/zinc/93/22/49/1336932249.db2.gz NAIOQRPNLYGUNY-INIZCTEOSA-N 1 2 345.874 3.283 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2cc(C)c3ccccc32)C1 ZINC001008834765 1336932251 /nfs/dbraw/zinc/93/22/51/1336932251.db2.gz NAIOQRPNLYGUNY-INIZCTEOSA-N 1 2 345.874 3.283 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)cs1 ZINC001008875523 1336936194 /nfs/dbraw/zinc/93/61/94/1336936194.db2.gz MUBXSFQHYZETHT-IBGZPJMESA-N 1 2 338.476 3.302 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)cs1 ZINC001008875523 1336936195 /nfs/dbraw/zinc/93/61/95/1336936195.db2.gz MUBXSFQHYZETHT-IBGZPJMESA-N 1 2 338.476 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H](C)c2cccc(OC)c2)C1 ZINC001009645966 1337052465 /nfs/dbraw/zinc/05/24/65/1337052465.db2.gz ZZNATOIUNRDENL-ZBFHGGJFSA-N 1 2 336.863 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)c2cccc(OC)c2)C1 ZINC001009645966 1337052468 /nfs/dbraw/zinc/05/24/68/1337052468.db2.gz ZZNATOIUNRDENL-ZBFHGGJFSA-N 1 2 336.863 3.132 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2cc3ccccc3n2C)C1 ZINC001009672373 1337057647 /nfs/dbraw/zinc/05/76/47/1337057647.db2.gz LANLIKJBOXSPEU-INIZCTEOSA-N 1 2 345.874 3.054 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2cc3ccccc3n2C)C1 ZINC001009672373 1337057649 /nfs/dbraw/zinc/05/76/49/1337057649.db2.gz LANLIKJBOXSPEU-INIZCTEOSA-N 1 2 345.874 3.054 20 30 EGEDLO Cc1cscc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010472496 1337202918 /nfs/dbraw/zinc/20/29/18/1337202918.db2.gz PUWKRADIIRGPBX-KRWDZBQOSA-N 1 2 342.439 3.051 20 30 EGEDLO Cc1cscc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010472496 1337202921 /nfs/dbraw/zinc/20/29/21/1337202921.db2.gz PUWKRADIIRGPBX-KRWDZBQOSA-N 1 2 342.439 3.051 20 30 EGEDLO Cc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)c1F ZINC001014530242 1337810489 /nfs/dbraw/zinc/81/04/89/1337810489.db2.gz IFTXEJZDIAWPHA-ZDUSSCGKSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)c1F ZINC001014530242 1337810495 /nfs/dbraw/zinc/81/04/95/1337810495.db2.gz IFTXEJZDIAWPHA-ZDUSSCGKSA-N 1 2 343.427 3.072 20 30 EGEDLO C[C@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CC=CCC1 ZINC001014550948 1337820614 /nfs/dbraw/zinc/82/06/14/1337820614.db2.gz PIQIEGSPVGNVSW-XLIONFOSSA-N 1 2 341.430 3.134 20 30 EGEDLO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CC=CCC1 ZINC001014550948 1337820618 /nfs/dbraw/zinc/82/06/18/1337820618.db2.gz PIQIEGSPVGNVSW-XLIONFOSSA-N 1 2 341.430 3.134 20 30 EGEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)C1(C2CC2)CC1 ZINC001014846663 1337922680 /nfs/dbraw/zinc/92/26/80/1337922680.db2.gz BYZIGAHOTBCPHN-SFHVURJKSA-N 1 2 342.870 3.072 20 30 EGEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)C1(C2CC2)CC1 ZINC001014846663 1337922693 /nfs/dbraw/zinc/92/26/93/1337922693.db2.gz BYZIGAHOTBCPHN-SFHVURJKSA-N 1 2 342.870 3.072 20 30 EGEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@]12C[C@H]1CCC2 ZINC001015340153 1338105724 /nfs/dbraw/zinc/10/57/24/1338105724.db2.gz DBWQSHMULRFVQA-YVWKXTFCSA-N 1 2 342.870 3.072 20 30 EGEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@]12C[C@H]1CCC2 ZINC001015340153 1338105726 /nfs/dbraw/zinc/10/57/26/1338105726.db2.gz DBWQSHMULRFVQA-YVWKXTFCSA-N 1 2 342.870 3.072 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001015394101 1338122664 /nfs/dbraw/zinc/12/26/64/1338122664.db2.gz WXGQEMDAEVZLAO-IAGOWNOFSA-N 1 2 347.409 3.074 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001015394101 1338122666 /nfs/dbraw/zinc/12/26/66/1338122666.db2.gz WXGQEMDAEVZLAO-IAGOWNOFSA-N 1 2 347.409 3.074 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nsc3ccc(C)cc32)C1 ZINC001015513080 1338164618 /nfs/dbraw/zinc/16/46/18/1338164618.db2.gz ZHUSRZATHPUFNW-LBPRGKRZSA-N 1 2 335.860 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nsc3ccc(C)cc32)C1 ZINC001015513080 1338164620 /nfs/dbraw/zinc/16/46/20/1338164620.db2.gz ZHUSRZATHPUFNW-LBPRGKRZSA-N 1 2 335.860 3.161 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC001015738460 1338278930 /nfs/dbraw/zinc/27/89/30/1338278930.db2.gz DKBYQZQNUYWMNG-QGZVFWFLSA-N 1 2 344.418 3.044 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC001015738460 1338278934 /nfs/dbraw/zinc/27/89/34/1338278934.db2.gz DKBYQZQNUYWMNG-QGZVFWFLSA-N 1 2 344.418 3.044 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccc(C(C)(C)C)cc2)C1 ZINC001015763309 1338297059 /nfs/dbraw/zinc/29/70/59/1338297059.db2.gz UZQKSUVJFODEDA-KRWDZBQOSA-N 1 2 334.891 3.470 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(C(C)(C)C)cc2)C1 ZINC001015763309 1338297064 /nfs/dbraw/zinc/29/70/64/1338297064.db2.gz UZQKSUVJFODEDA-KRWDZBQOSA-N 1 2 334.891 3.470 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3ccccc3)nc2)C1 ZINC001015893319 1338350640 /nfs/dbraw/zinc/35/06/40/1338350640.db2.gz JZLHMEPSISBFSB-KRWDZBQOSA-N 1 2 341.842 3.305 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(-c3ccccc3)nc2)C1 ZINC001015893319 1338350643 /nfs/dbraw/zinc/35/06/43/1338350643.db2.gz JZLHMEPSISBFSB-KRWDZBQOSA-N 1 2 341.842 3.305 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc3[nH]c(C)c(C)c3c2)C1 ZINC001016225549 1338516344 /nfs/dbraw/zinc/51/63/44/1338516344.db2.gz JXZMNMGCEJDVMJ-OAHLLOKOSA-N 1 2 331.847 3.341 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3[nH]c(C)c(C)c3c2)C1 ZINC001016225549 1338516347 /nfs/dbraw/zinc/51/63/47/1338516347.db2.gz JXZMNMGCEJDVMJ-OAHLLOKOSA-N 1 2 331.847 3.341 20 30 EGEDLO Cc1ccccc1[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001016322000 1338548763 /nfs/dbraw/zinc/54/87/63/1338548763.db2.gz WKLFEJSRJYUQAO-FXAWDEMLSA-N 1 2 347.462 3.361 20 30 EGEDLO Cc1ccccc1[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001016322000 1338548767 /nfs/dbraw/zinc/54/87/67/1338548767.db2.gz WKLFEJSRJYUQAO-FXAWDEMLSA-N 1 2 347.462 3.361 20 30 EGEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc(C(F)(F)F)c1 ZINC001017704604 1339395966 /nfs/dbraw/zinc/39/59/66/1339395966.db2.gz ZQPBLCNPWHVLGH-TXEJJXNPSA-N 1 2 330.375 3.242 20 30 EGEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc(C(F)(F)F)c1 ZINC001017704604 1339395969 /nfs/dbraw/zinc/39/59/69/1339395969.db2.gz ZQPBLCNPWHVLGH-TXEJJXNPSA-N 1 2 330.375 3.242 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC001017760697 1339413224 /nfs/dbraw/zinc/41/32/24/1339413224.db2.gz HRSJWSHHNSYHGN-ZGXWSNOMSA-N 1 2 340.442 3.018 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC001017760697 1339413230 /nfs/dbraw/zinc/41/32/30/1339413230.db2.gz HRSJWSHHNSYHGN-ZGXWSNOMSA-N 1 2 340.442 3.018 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1OCC(C)C ZINC001018068877 1339495105 /nfs/dbraw/zinc/49/51/05/1339495105.db2.gz KKWUHELSWZUSTG-HDICACEKSA-N 1 2 340.467 3.034 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1OCC(C)C ZINC001018068877 1339495107 /nfs/dbraw/zinc/49/51/07/1339495107.db2.gz KKWUHELSWZUSTG-HDICACEKSA-N 1 2 340.467 3.034 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(c2ccccc2)CCCC1 ZINC001018241725 1339545996 /nfs/dbraw/zinc/54/59/96/1339545996.db2.gz ISDPLSOGICNDID-BGYRXZFFSA-N 1 2 336.479 3.197 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(c2ccccc2)CCCC1 ZINC001018241725 1339545999 /nfs/dbraw/zinc/54/59/99/1339545999.db2.gz ISDPLSOGICNDID-BGYRXZFFSA-N 1 2 336.479 3.197 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C(F)(F)F)nc1 ZINC001028060497 1340404412 /nfs/dbraw/zinc/40/44/12/1340404412.db2.gz CLXHZDBCQLVREE-LBPRGKRZSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C(F)(F)F)nc1 ZINC001028060497 1340404414 /nfs/dbraw/zinc/40/44/14/1340404414.db2.gz CLXHZDBCQLVREE-LBPRGKRZSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1oc2ccccc2c1OC ZINC001028071094 1340407761 /nfs/dbraw/zinc/40/77/61/1340407761.db2.gz PSNPISZBIYDTAW-ZDUSSCGKSA-N 1 2 348.830 3.388 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1oc2ccccc2c1OC ZINC001028071094 1340407772 /nfs/dbraw/zinc/40/77/72/1340407772.db2.gz PSNPISZBIYDTAW-ZDUSSCGKSA-N 1 2 348.830 3.388 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1nccc2ccccc21 ZINC001028105513 1340429520 /nfs/dbraw/zinc/42/95/20/1340429520.db2.gz VUDRHWLIOHLMSX-HNNXBMFYSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1nccc2ccccc21 ZINC001028105513 1340429522 /nfs/dbraw/zinc/42/95/22/1340429522.db2.gz VUDRHWLIOHLMSX-HNNXBMFYSA-N 1 2 329.831 3.182 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl ZINC001028147855 1340452626 /nfs/dbraw/zinc/45/26/26/1340452626.db2.gz PMTWRBSWKHXCCU-BPQIPLTHSA-N 1 2 344.886 3.318 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1Cl ZINC001028147855 1340452627 /nfs/dbraw/zinc/45/26/27/1340452627.db2.gz PMTWRBSWKHXCCU-BPQIPLTHSA-N 1 2 344.886 3.318 20 30 EGEDLO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1Cl)[C@@H]1CC12CC2 ZINC001028168755 1340464256 /nfs/dbraw/zinc/46/42/56/1340464256.db2.gz ZHFMCDOAENFIDG-IRXDYDNUSA-N 1 2 342.870 3.072 20 30 EGEDLO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl)[C@@H]1CC12CC2 ZINC001028168755 1340464259 /nfs/dbraw/zinc/46/42/59/1340464259.db2.gz ZHFMCDOAENFIDG-IRXDYDNUSA-N 1 2 342.870 3.072 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001028270492 1340524431 /nfs/dbraw/zinc/52/44/31/1340524431.db2.gz LFVKUCBWKOUVFT-QEJZJMRPSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001028270492 1340524434 /nfs/dbraw/zinc/52/44/34/1340524434.db2.gz LFVKUCBWKOUVFT-QEJZJMRPSA-N 1 2 343.309 3.302 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)c2ccc(F)s2)s1 ZINC001028346825 1340585973 /nfs/dbraw/zinc/58/59/73/1340585973.db2.gz HZTHBXHJYGHPOU-LLVKDONJSA-N 1 2 349.456 3.215 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2ccc(F)s2)s1 ZINC001028346825 1340585977 /nfs/dbraw/zinc/58/59/77/1340585977.db2.gz HZTHBXHJYGHPOU-LLVKDONJSA-N 1 2 349.456 3.215 20 30 EGEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)[C@H]1CC=CCC1 ZINC001031545671 1341367370 /nfs/dbraw/zinc/36/73/70/1341367370.db2.gz QYDCRJIERJUHPF-SFHVURJKSA-N 1 2 342.870 3.096 20 30 EGEDLO C[C@H]1C[C@@H]1c1ccc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)o1 ZINC001031665342 1341385081 /nfs/dbraw/zinc/38/50/81/1341385081.db2.gz YCJFORHSTXACJF-KSSFIOAISA-N 1 2 349.434 3.136 20 30 EGEDLO C=C1CCC(C(=O)NCC2C[NH+](Cc3ccnc(Cl)c3)C2)CC1 ZINC001031952053 1341430048 /nfs/dbraw/zinc/43/00/48/1341430048.db2.gz WSICTCHJESRSCY-UHFFFAOYSA-N 1 2 333.863 3.029 20 30 EGEDLO C=C1CCC(C(=O)NCC2C[NH+](Cc3cccc(Cl)n3)C2)CC1 ZINC001031951450 1341430218 /nfs/dbraw/zinc/43/02/18/1341430218.db2.gz IDWMZHNGEOTKIY-UHFFFAOYSA-N 1 2 333.863 3.029 20 30 EGEDLO CC[C@@H]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031953035 1341430601 /nfs/dbraw/zinc/43/06/01/1341430601.db2.gz DOXYMPBDOYOWBJ-SJLPKXTDSA-N 1 2 343.446 3.072 20 30 EGEDLO Cc1ccc(F)c(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)c1 ZINC001032648990 1341570142 /nfs/dbraw/zinc/57/01/42/1341570142.db2.gz ZJJYTGHCXJORMI-ROUUACIJSA-N 1 2 349.409 3.105 20 30 EGEDLO Cc1ccc(F)c(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)c1 ZINC001032648990 1341570144 /nfs/dbraw/zinc/57/01/44/1341570144.db2.gz ZJJYTGHCXJORMI-ROUUACIJSA-N 1 2 349.409 3.105 20 30 EGEDLO Cc1cc(C)cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)c1 ZINC001032750889 1341602311 /nfs/dbraw/zinc/60/23/11/1341602311.db2.gz BBCDOIVXMKNRMA-SFTDATJTSA-N 1 2 345.446 3.274 20 30 EGEDLO Cc1cc(C)cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)c1 ZINC001032750889 1341602314 /nfs/dbraw/zinc/60/23/14/1341602314.db2.gz BBCDOIVXMKNRMA-SFTDATJTSA-N 1 2 345.446 3.274 20 30 EGEDLO Cc1csc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001033063679 1341712193 /nfs/dbraw/zinc/71/21/93/1341712193.db2.gz FUQUAEMMEJMJKI-QGZVFWFLSA-N 1 2 339.464 3.275 20 30 EGEDLO Cc1csc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001033063679 1341712195 /nfs/dbraw/zinc/71/21/95/1341712195.db2.gz FUQUAEMMEJMJKI-QGZVFWFLSA-N 1 2 339.464 3.275 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3nc(C)oc3c2)C1 ZINC001033159481 1341741443 /nfs/dbraw/zinc/74/14/43/1341741443.db2.gz CCHVDEGLGRYQIR-CQSZACIVSA-N 1 2 333.819 3.035 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3nc(C)oc3c2)C1 ZINC001033159481 1341741444 /nfs/dbraw/zinc/74/14/44/1341741444.db2.gz CCHVDEGLGRYQIR-CQSZACIVSA-N 1 2 333.819 3.035 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001033272255 1341765209 /nfs/dbraw/zinc/76/52/09/1341765209.db2.gz PKMNWJXXJCPMIY-QZTJIDSGSA-N 1 2 332.875 3.465 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001033272255 1341765210 /nfs/dbraw/zinc/76/52/10/1341765210.db2.gz PKMNWJXXJCPMIY-QZTJIDSGSA-N 1 2 332.875 3.465 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2cc3ccccc3o2)C1 ZINC001033314776 1341777869 /nfs/dbraw/zinc/77/78/69/1341777869.db2.gz FONCZZUHARYGRN-HNNXBMFYSA-N 1 2 332.831 3.261 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2cc3ccccc3o2)C1 ZINC001033314776 1341777870 /nfs/dbraw/zinc/77/78/70/1341777870.db2.gz FONCZZUHARYGRN-HNNXBMFYSA-N 1 2 332.831 3.261 20 30 EGEDLO CN(C(=O)[C@@H]1CCC1(C)C)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033349311 1341791606 /nfs/dbraw/zinc/79/16/06/1341791606.db2.gz IDTXKCHCZLQYDJ-ROUUACIJSA-N 1 2 343.446 3.166 20 30 EGEDLO CN(C(=O)[C@@H]1CCC1(C)C)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033349311 1341791607 /nfs/dbraw/zinc/79/16/07/1341791607.db2.gz IDTXKCHCZLQYDJ-ROUUACIJSA-N 1 2 343.446 3.166 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2-n2cccc2)C1 ZINC001033390660 1341809409 /nfs/dbraw/zinc/80/94/09/1341809409.db2.gz LQLPVVYCAKJJHU-MRXNPFEDSA-N 1 2 343.858 3.376 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2-n2cccc2)C1 ZINC001033390660 1341809410 /nfs/dbraw/zinc/80/94/10/1341809410.db2.gz LQLPVVYCAKJJHU-MRXNPFEDSA-N 1 2 343.858 3.376 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001033460780 1341834372 /nfs/dbraw/zinc/83/43/72/1341834372.db2.gz UDMNMRDOSBCRRE-ZWKOTPCHSA-N 1 2 332.875 3.077 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001033460780 1341834374 /nfs/dbraw/zinc/83/43/74/1341834374.db2.gz UDMNMRDOSBCRRE-ZWKOTPCHSA-N 1 2 332.875 3.077 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001033696138 1341961478 /nfs/dbraw/zinc/96/14/78/1341961478.db2.gz QRHGWNUJAYKSAG-YESZJQIVSA-N 1 2 336.838 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001033696138 1341961482 /nfs/dbraw/zinc/96/14/82/1341961482.db2.gz QRHGWNUJAYKSAG-YESZJQIVSA-N 1 2 336.838 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@]2(C)CCc3ccccc3C2)C1 ZINC001033714325 1341972732 /nfs/dbraw/zinc/97/27/32/1341972732.db2.gz PKWCKYVRJVGILV-UYAOXDASSA-N 1 2 346.902 3.467 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(C)CCc3ccccc3C2)C1 ZINC001033714325 1341972733 /nfs/dbraw/zinc/97/27/33/1341972733.db2.gz PKWCKYVRJVGILV-UYAOXDASSA-N 1 2 346.902 3.467 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](Cc3nocc3C)C2)CC1 ZINC001033948966 1342108903 /nfs/dbraw/zinc/10/89/03/1342108903.db2.gz DJAOGPBLZAGVKL-QGZVFWFLSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](Cc3nocc3C)C2)CC1 ZINC001033948966 1342108905 /nfs/dbraw/zinc/10/89/05/1342108905.db2.gz DJAOGPBLZAGVKL-QGZVFWFLSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc(OC)c2C)C1 ZINC001033969151 1342120130 /nfs/dbraw/zinc/12/01/30/1342120130.db2.gz UEOLZQOUNOGIMF-OAHLLOKOSA-N 1 2 336.863 3.293 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(OC)c2C)C1 ZINC001033969151 1342120131 /nfs/dbraw/zinc/12/01/31/1342120131.db2.gz UEOLZQOUNOGIMF-OAHLLOKOSA-N 1 2 336.863 3.293 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)C2CCC(F)(F)CC2)C1 ZINC001033974197 1342123505 /nfs/dbraw/zinc/12/35/05/1342123505.db2.gz ZZYXGBGQGOIJFP-CQSZACIVSA-N 1 2 334.838 3.487 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)C2CCC(F)(F)CC2)C1 ZINC001033974197 1342123508 /nfs/dbraw/zinc/12/35/08/1342123508.db2.gz ZZYXGBGQGOIJFP-CQSZACIVSA-N 1 2 334.838 3.487 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)C2CCCCC2)C1 ZINC001034079836 1342217148 /nfs/dbraw/zinc/21/71/48/1342217148.db2.gz BCXBIBBRBQZLBU-HNNXBMFYSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)C2CCCCC2)C1 ZINC001034079836 1342217149 /nfs/dbraw/zinc/21/71/49/1342217149.db2.gz BCXBIBBRBQZLBU-HNNXBMFYSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc3c(o2)CCCC3)C1 ZINC001034238921 1342340285 /nfs/dbraw/zinc/34/02/85/1342340285.db2.gz OQAQENJANNFIGN-OAHLLOKOSA-N 1 2 336.863 3.495 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cc3c(o2)CCCC3)C1 ZINC001034238921 1342340289 /nfs/dbraw/zinc/34/02/89/1342340289.db2.gz OQAQENJANNFIGN-OAHLLOKOSA-N 1 2 336.863 3.495 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@@H+](Cc3ncc(C)o3)C2)CC1 ZINC001034375802 1342445027 /nfs/dbraw/zinc/44/50/27/1342445027.db2.gz GIQHSNHKLHRFHU-KRWDZBQOSA-N 1 2 331.460 3.200 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@H+](Cc3ncc(C)o3)C2)CC1 ZINC001034375802 1342445029 /nfs/dbraw/zinc/44/50/29/1342445029.db2.gz GIQHSNHKLHRFHU-KRWDZBQOSA-N 1 2 331.460 3.200 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@H+](Cc3nccs3)C2)CC1 ZINC001034375797 1342445481 /nfs/dbraw/zinc/44/54/81/1342445481.db2.gz GGUXXIKYVMDZMR-MRXNPFEDSA-N 1 2 333.501 3.360 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@@H+](Cc3nccs3)C2)CC1 ZINC001034375797 1342445484 /nfs/dbraw/zinc/44/54/84/1342445484.db2.gz GGUXXIKYVMDZMR-MRXNPFEDSA-N 1 2 333.501 3.360 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@@H+](Cc3ncc(CC)o3)C2)CC1 ZINC001034378044 1342447781 /nfs/dbraw/zinc/44/77/81/1342447781.db2.gz OKRDBKYGGQPBEP-KRWDZBQOSA-N 1 2 345.487 3.454 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@H+](Cc3ncc(CC)o3)C2)CC1 ZINC001034378044 1342447783 /nfs/dbraw/zinc/44/77/83/1342447783.db2.gz OKRDBKYGGQPBEP-KRWDZBQOSA-N 1 2 345.487 3.454 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@@H+]([C@H](C)c3nnc(C)s3)C2)C1 ZINC001034388010 1342457361 /nfs/dbraw/zinc/45/73/61/1342457361.db2.gz AROMEWIRDSTESL-HIFRSBDPSA-N 1 2 348.516 3.235 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@H+]([C@H](C)c3nnc(C)s3)C2)C1 ZINC001034388010 1342457364 /nfs/dbraw/zinc/45/73/64/1342457364.db2.gz AROMEWIRDSTESL-HIFRSBDPSA-N 1 2 348.516 3.235 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@@H+](Cc3ncc(CC)o3)C2)C1 ZINC001034389918 1342459619 /nfs/dbraw/zinc/45/96/19/1342459619.db2.gz WPROSOAGJYDFHG-HNNXBMFYSA-N 1 2 331.460 3.064 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@H+](Cc3ncc(CC)o3)C2)C1 ZINC001034389918 1342459622 /nfs/dbraw/zinc/45/96/22/1342459622.db2.gz WPROSOAGJYDFHG-HNNXBMFYSA-N 1 2 331.460 3.064 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001034417197 1342478428 /nfs/dbraw/zinc/47/84/28/1342478428.db2.gz FULRXWSQSBPCBU-GFCCVEGCSA-N 1 2 346.780 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001034417197 1342478430 /nfs/dbraw/zinc/47/84/30/1342478430.db2.gz FULRXWSQSBPCBU-GFCCVEGCSA-N 1 2 346.780 3.441 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cnc(Cl)s1)C2 ZINC001209470217 1372114334 /nfs/dbraw/zinc/11/43/34/1372114334.db2.gz AOIZVYMOEVZUDR-IUODEOHRSA-N 1 2 328.865 3.123 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cnc(Cl)s1)C2 ZINC001209470217 1372114336 /nfs/dbraw/zinc/11/43/36/1372114336.db2.gz AOIZVYMOEVZUDR-IUODEOHRSA-N 1 2 328.865 3.123 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC2(CC[N@@H+]([C@@H](C)c3csnn3)C2)CC1 ZINC001035212592 1343031901 /nfs/dbraw/zinc/03/19/01/1343031901.db2.gz UYUSEZWUVRXXRZ-AWEZNQCLSA-N 1 2 348.516 3.126 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC2(CC[N@H+]([C@@H](C)c3csnn3)C2)CC1 ZINC001035212592 1343031907 /nfs/dbraw/zinc/03/19/07/1343031907.db2.gz UYUSEZWUVRXXRZ-AWEZNQCLSA-N 1 2 348.516 3.126 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2coc3ccc(Cl)cc32)C1 ZINC001035590978 1343095182 /nfs/dbraw/zinc/09/51/82/1343095182.db2.gz ZPHJJYYRFHASDH-CQSZACIVSA-N 1 2 348.830 3.093 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2coc3ccc(Cl)cc32)C1 ZINC001035590978 1343095190 /nfs/dbraw/zinc/09/51/90/1343095190.db2.gz ZPHJJYYRFHASDH-CQSZACIVSA-N 1 2 348.830 3.093 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc3cc(F)ccc3s2)C1 ZINC001035603211 1343099391 /nfs/dbraw/zinc/09/93/91/1343099391.db2.gz SEKSDSFPOCTVOU-HNNXBMFYSA-N 1 2 348.443 3.047 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc3cc(F)ccc3s2)C1 ZINC001035603211 1343099395 /nfs/dbraw/zinc/09/93/95/1343099395.db2.gz SEKSDSFPOCTVOU-HNNXBMFYSA-N 1 2 348.443 3.047 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccccc1COC)CC2 ZINC001035739306 1343162637 /nfs/dbraw/zinc/16/26/37/1343162637.db2.gz WITSIZUPOGGOCZ-UHFFFAOYSA-N 1 2 348.874 3.124 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC2(C[NH+](Cc3cncc(F)c3)C2)CC1 ZINC001035782196 1343192686 /nfs/dbraw/zinc/19/26/86/1343192686.db2.gz JAIYDXQSQPGOHY-LJQANCHMSA-N 1 2 345.462 3.247 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cc(C(C)C)no1)CC2 ZINC001035810419 1343210271 /nfs/dbraw/zinc/21/02/71/1343210271.db2.gz KQWBVXPOIBJGMY-UHFFFAOYSA-N 1 2 337.851 3.089 20 30 EGEDLO Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)c1F ZINC001038290354 1344362278 /nfs/dbraw/zinc/36/22/78/1344362278.db2.gz YNKFNCAWHBXXHI-KRWDZBQOSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)c1F ZINC001038290354 1344362281 /nfs/dbraw/zinc/36/22/81/1344362281.db2.gz YNKFNCAWHBXXHI-KRWDZBQOSA-N 1 2 337.398 3.010 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@H+]1[C@@H](C)c1ccccc1F ZINC001038344179 1344388725 /nfs/dbraw/zinc/38/87/25/1344388725.db2.gz FKKBSTAGSQRWMD-JKSUJKDBSA-N 1 2 341.430 3.379 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)c1ccccc1F ZINC001038344179 1344388729 /nfs/dbraw/zinc/38/87/29/1344388729.db2.gz FKKBSTAGSQRWMD-JKSUJKDBSA-N 1 2 341.430 3.379 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(Cl)c1 ZINC001038353677 1344394799 /nfs/dbraw/zinc/39/47/99/1344394799.db2.gz OHEOVUHJFGRIDU-KRWDZBQOSA-N 1 2 343.858 3.332 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(Cl)c1 ZINC001038353677 1344394801 /nfs/dbraw/zinc/39/48/01/1344394801.db2.gz OHEOVUHJFGRIDU-KRWDZBQOSA-N 1 2 343.858 3.332 20 30 EGEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1CCC=CCCC1 ZINC001038403880 1344413463 /nfs/dbraw/zinc/41/34/63/1344413463.db2.gz WFWQGZVODCUQJW-RTWAWAEBSA-N 1 2 336.479 3.365 20 30 EGEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1CCC=CCCC1 ZINC001038403880 1344413468 /nfs/dbraw/zinc/41/34/68/1344413468.db2.gz WFWQGZVODCUQJW-RTWAWAEBSA-N 1 2 336.479 3.365 20 30 EGEDLO CC1(C)CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001038602930 1344498835 /nfs/dbraw/zinc/49/88/35/1344498835.db2.gz FYECAPFIAQPVOT-CZUORRHYSA-N 1 2 331.485 3.137 20 30 EGEDLO CC1(C)CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001038602930 1344498836 /nfs/dbraw/zinc/49/88/36/1344498836.db2.gz FYECAPFIAQPVOT-CZUORRHYSA-N 1 2 331.485 3.137 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+]2Cc2oc(CCC)nc2C)CC1 ZINC001038661647 1344526701 /nfs/dbraw/zinc/52/67/01/1344526701.db2.gz LZRZVFVYHBGNMZ-KRWDZBQOSA-N 1 2 345.487 3.372 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+]2Cc2oc(CCC)nc2C)CC1 ZINC001038661647 1344526706 /nfs/dbraw/zinc/52/67/06/1344526706.db2.gz LZRZVFVYHBGNMZ-KRWDZBQOSA-N 1 2 345.487 3.372 20 30 EGEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)c1cccc2cc[nH]c21 ZINC001038727860 1344553739 /nfs/dbraw/zinc/55/37/39/1344553739.db2.gz UKZMZUBOOPUCOD-IBGZPJMESA-N 1 2 343.430 3.024 20 30 EGEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)c1cccc2cc[nH]c21 ZINC001038727860 1344553742 /nfs/dbraw/zinc/55/37/42/1344553742.db2.gz UKZMZUBOOPUCOD-IBGZPJMESA-N 1 2 343.430 3.024 20 30 EGEDLO Cc1cc(F)cc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)c1 ZINC001038728311 1344554920 /nfs/dbraw/zinc/55/49/20/1344554920.db2.gz GULJJLKGIDSBFZ-LJQANCHMSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cc(F)cc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)c1 ZINC001038728311 1344554924 /nfs/dbraw/zinc/55/49/24/1344554924.db2.gz GULJJLKGIDSBFZ-LJQANCHMSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cccc(C)c1C(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001038728898 1344555896 /nfs/dbraw/zinc/55/58/96/1344555896.db2.gz WCFAILBERJSAKV-FQEVSTJZSA-N 1 2 332.447 3.159 20 30 EGEDLO Cc1cccc(C)c1C(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001038728898 1344555897 /nfs/dbraw/zinc/55/58/97/1344555897.db2.gz WCFAILBERJSAKV-FQEVSTJZSA-N 1 2 332.447 3.159 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cccc(Cl)c2)c1 ZINC001038945141 1344669161 /nfs/dbraw/zinc/66/91/61/1344669161.db2.gz MDMKNTWITQHLSF-SFHVURJKSA-N 1 2 339.826 3.216 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cccc(Cl)c2)c1 ZINC001038945141 1344669165 /nfs/dbraw/zinc/66/91/65/1344669165.db2.gz MDMKNTWITQHLSF-SFHVURJKSA-N 1 2 339.826 3.216 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1Cc2ccccc21 ZINC001039427912 1345063586 /nfs/dbraw/zinc/06/35/86/1345063586.db2.gz OWWMQQFBUZADKJ-RYRKJORJSA-N 1 2 330.859 3.144 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1Cc2ccccc21 ZINC001039427912 1345063589 /nfs/dbraw/zinc/06/35/89/1345063589.db2.gz OWWMQQFBUZADKJ-RYRKJORJSA-N 1 2 330.859 3.144 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001039441815 1345068119 /nfs/dbraw/zinc/06/81/19/1345068119.db2.gz YSYXDSGYRPXNSD-VSZNYVQBSA-N 1 2 345.874 3.003 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001039441815 1345068121 /nfs/dbraw/zinc/06/81/21/1345068121.db2.gz YSYXDSGYRPXNSD-VSZNYVQBSA-N 1 2 345.874 3.003 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccncc1Cl ZINC001039442082 1345068411 /nfs/dbraw/zinc/06/84/11/1345068411.db2.gz LNFJMLMOQNCARM-OLZOCXBDSA-N 1 2 340.254 3.166 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccncc1Cl ZINC001039442082 1345068412 /nfs/dbraw/zinc/06/84/12/1345068412.db2.gz LNFJMLMOQNCARM-OLZOCXBDSA-N 1 2 340.254 3.166 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)cc1OC ZINC001039461535 1345080426 /nfs/dbraw/zinc/08/04/26/1345080426.db2.gz WMQNBOATTMFNCS-CVEARBPZSA-N 1 2 348.874 3.435 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)cc1OC ZINC001039461535 1345080428 /nfs/dbraw/zinc/08/04/28/1345080428.db2.gz WMQNBOATTMFNCS-CVEARBPZSA-N 1 2 348.874 3.435 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Oc1ccccc1 ZINC001039466304 1345084220 /nfs/dbraw/zinc/08/42/20/1345084220.db2.gz CTEKHHIBGKSIDG-BBWFWOEESA-N 1 2 348.874 3.272 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Oc1ccccc1 ZINC001039466304 1345084225 /nfs/dbraw/zinc/08/42/25/1345084225.db2.gz CTEKHHIBGKSIDG-BBWFWOEESA-N 1 2 348.874 3.272 20 30 EGEDLO C[C@H](c1ccc(F)cc1)[N@H+]1[C@@H]2CCC[C@H]1CN(C(=O)[C@@H](C)C#N)C2 ZINC001039528340 1345131339 /nfs/dbraw/zinc/13/13/39/1345131339.db2.gz MRJWPMFROUHKBG-IHETXDGRSA-N 1 2 329.419 3.112 20 30 EGEDLO C[C@H](c1ccc(F)cc1)[N@@H+]1[C@@H]2CCC[C@H]1CN(C(=O)[C@@H](C)C#N)C2 ZINC001039528340 1345131341 /nfs/dbraw/zinc/13/13/41/1345131341.db2.gz MRJWPMFROUHKBG-IHETXDGRSA-N 1 2 329.419 3.112 20 30 EGEDLO C=C1CCC(C(=O)N2CCCC[C@@H]2CN(C)c2cc[nH+]c(C)n2)CC1 ZINC001039976386 1345275083 /nfs/dbraw/zinc/27/50/83/1345275083.db2.gz OBNYXOKNIWVMOC-GOSISDBHSA-N 1 2 342.487 3.349 20 30 EGEDLO O=C(C#CC1CC1)N1CC[C@]2(C1)CCC[N@@H+](C/C(Cl)=C\Cl)C2 ZINC001040199047 1345372793 /nfs/dbraw/zinc/37/27/93/1345372793.db2.gz YLBYQTBDCULANC-IUYQLWOBSA-N 1 2 341.282 3.033 20 30 EGEDLO O=C(C#CC1CC1)N1CC[C@]2(C1)CCC[N@H+](C/C(Cl)=C\Cl)C2 ZINC001040199047 1345372795 /nfs/dbraw/zinc/37/27/95/1345372795.db2.gz YLBYQTBDCULANC-IUYQLWOBSA-N 1 2 341.282 3.033 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@H](CNc3cc[nH+]c(C)n3)[C@H](C)C2)C1 ZINC001040449140 1345506577 /nfs/dbraw/zinc/50/65/77/1345506577.db2.gz WDWCHLSTAZRYAY-GDBMZVCRSA-N 1 2 328.460 3.038 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@]2(CC[N@H+](C/C(Cl)=C\Cl)C2)C1 ZINC001041544506 1345758946 /nfs/dbraw/zinc/75/89/46/1345758946.db2.gz OEAIFTSLTIEJPR-WQMJKPAKSA-N 1 2 331.287 3.442 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@]2(CC[N@@H+](C/C(Cl)=C\Cl)C2)C1 ZINC001041544506 1345758950 /nfs/dbraw/zinc/75/89/50/1345758950.db2.gz OEAIFTSLTIEJPR-WQMJKPAKSA-N 1 2 331.287 3.442 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc4cnccc4o3)C[C@H]21 ZINC001042135028 1345952658 /nfs/dbraw/zinc/95/26/58/1345952658.db2.gz SLIXRBNMWRKANE-DZGCQCFKSA-N 1 2 345.830 3.117 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3cc4cnccc4o3)C[C@H]21 ZINC001042135028 1345952659 /nfs/dbraw/zinc/95/26/59/1345952659.db2.gz SLIXRBNMWRKANE-DZGCQCFKSA-N 1 2 345.830 3.117 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)CC)C[C@H]21 ZINC001042207162 1345985313 /nfs/dbraw/zinc/98/53/13/1345985313.db2.gz MSIKOILPMNDTMS-UONOGXRCSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)CC)C[C@H]21 ZINC001042207162 1345985314 /nfs/dbraw/zinc/98/53/14/1345985314.db2.gz MSIKOILPMNDTMS-UONOGXRCSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C1CCC(C(=O)NC2(C)CC[NH+](Cc3cc(C)on3)CC2)CC1 ZINC001045545962 1346626054 /nfs/dbraw/zinc/62/60/54/1346626054.db2.gz OJKBWJUDCHEQFO-UHFFFAOYSA-N 1 2 331.460 3.200 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1nnc(C)s1 ZINC001045827556 1346710650 /nfs/dbraw/zinc/71/06/50/1346710650.db2.gz OBDFGHQBJMQUJO-YUELXQCFSA-N 1 2 348.516 3.185 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1nnc(C)s1 ZINC001045827556 1346710652 /nfs/dbraw/zinc/71/06/52/1346710652.db2.gz OBDFGHQBJMQUJO-YUELXQCFSA-N 1 2 348.516 3.185 20 30 EGEDLO C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C(F)C(F)(F)F)C2 ZINC001045939703 1346775499 /nfs/dbraw/zinc/77/54/99/1346775499.db2.gz GQXYLCFELBHNAA-HIFRSBDPSA-N 1 2 336.373 3.168 20 30 EGEDLO C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(F)C(F)(F)F)C2 ZINC001045939703 1346775505 /nfs/dbraw/zinc/77/55/05/1346775505.db2.gz GQXYLCFELBHNAA-HIFRSBDPSA-N 1 2 336.373 3.168 20 30 EGEDLO C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](F)C(F)(F)F)C2 ZINC001045939703 1346775508 /nfs/dbraw/zinc/77/55/08/1346775508.db2.gz GQXYLCFELBHNAA-HIFRSBDPSA-N 1 2 336.373 3.168 20 30 EGEDLO C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](F)C(F)(F)F)C2 ZINC001045939703 1346775509 /nfs/dbraw/zinc/77/55/09/1346775509.db2.gz GQXYLCFELBHNAA-HIFRSBDPSA-N 1 2 336.373 3.168 20 30 EGEDLO C[C@@]1(NC(=O)c2ccc(Cl)o2)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046145354 1346869672 /nfs/dbraw/zinc/86/96/72/1346869672.db2.gz YIGFNOCRAMDWSI-GOSISDBHSA-N 1 2 343.814 3.199 20 30 EGEDLO C[C@@]1(NC(=O)c2ccc(Cl)o2)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046145354 1346869676 /nfs/dbraw/zinc/86/96/76/1346869676.db2.gz YIGFNOCRAMDWSI-GOSISDBHSA-N 1 2 343.814 3.199 20 30 EGEDLO CC1(C)CC(C(=O)N[C@@]2(C)CC[N@H+](Cc3cc(F)ccc3C#N)C2)C1 ZINC001046290368 1346922348 /nfs/dbraw/zinc/92/23/48/1346922348.db2.gz BVKMQOBROFAEOC-FQEVSTJZSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC(C(=O)N[C@@]2(C)CC[N@@H+](Cc3cc(F)ccc3C#N)C2)C1 ZINC001046290368 1346922352 /nfs/dbraw/zinc/92/23/52/1346922352.db2.gz BVKMQOBROFAEOC-FQEVSTJZSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C1CCC(C(=O)N[C@@]2(C)CC[N@@H+]([C@H](C)c3nc(CC)no3)C2)CC1 ZINC001046599726 1347032833 /nfs/dbraw/zinc/03/28/33/1347032833.db2.gz YLXXVOCIOKSIBV-KUHUBIRLSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CCC(C(=O)N[C@@]2(C)CC[N@H+]([C@H](C)c3nc(CC)no3)C2)CC1 ZINC001046599726 1347032839 /nfs/dbraw/zinc/03/28/39/1347032839.db2.gz YLXXVOCIOKSIBV-KUHUBIRLSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001046655751 1347051250 /nfs/dbraw/zinc/05/12/50/1347051250.db2.gz AGJYYMIIXZMIAA-MJGOQNOKSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001046655751 1347051252 /nfs/dbraw/zinc/05/12/52/1347051252.db2.gz AGJYYMIIXZMIAA-MJGOQNOKSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC001046660921 1347054381 /nfs/dbraw/zinc/05/43/81/1347054381.db2.gz DCRMEZAIVBAIKI-GOSISDBHSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC001046660921 1347054385 /nfs/dbraw/zinc/05/43/85/1347054385.db2.gz DCRMEZAIVBAIKI-GOSISDBHSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1 ZINC001046690692 1347064166 /nfs/dbraw/zinc/06/41/66/1347064166.db2.gz QIMHNDMUGAVIEB-FCEWJHQRSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1 ZINC001046690692 1347064167 /nfs/dbraw/zinc/06/41/67/1347064167.db2.gz QIMHNDMUGAVIEB-FCEWJHQRSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc3nc(C)ccc3c2)C1 ZINC001046715535 1347070629 /nfs/dbraw/zinc/07/06/29/1347070629.db2.gz QGANVFPOFZNFHX-LJQANCHMSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3nc(C)ccc3c2)C1 ZINC001046715535 1347070633 /nfs/dbraw/zinc/07/06/33/1347070633.db2.gz QGANVFPOFZNFHX-LJQANCHMSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc3scnc3c2)C1 ZINC001046740556 1347078308 /nfs/dbraw/zinc/07/83/08/1347078308.db2.gz AOSJUAUUSIAZBN-MRXNPFEDSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3scnc3c2)C1 ZINC001046740556 1347078311 /nfs/dbraw/zinc/07/83/11/1347078311.db2.gz AOSJUAUUSIAZBN-MRXNPFEDSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc3c(cccc3OC)[nH]2)C1 ZINC001046833764 1347123002 /nfs/dbraw/zinc/12/30/02/1347123002.db2.gz IMZZJDLRCLCCDP-GOSISDBHSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc3c(cccc3OC)[nH]2)C1 ZINC001046833764 1347123004 /nfs/dbraw/zinc/12/30/04/1347123004.db2.gz IMZZJDLRCLCCDP-GOSISDBHSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccccc2)C1 ZINC001046908673 1347148456 /nfs/dbraw/zinc/14/84/56/1347148456.db2.gz MHDFQJHTGLMPIP-CQSZACIVSA-N 1 2 328.790 3.126 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccccc2)C1 ZINC001046908673 1347148459 /nfs/dbraw/zinc/14/84/59/1347148459.db2.gz MHDFQJHTGLMPIP-CQSZACIVSA-N 1 2 328.790 3.126 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cccc(F)c2)C1 ZINC001046912828 1347151308 /nfs/dbraw/zinc/15/13/08/1347151308.db2.gz PYEIMCHIKBZOND-CYBMUJFWSA-N 1 2 346.780 3.265 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cccc(F)c2)C1 ZINC001046912828 1347151309 /nfs/dbraw/zinc/15/13/09/1347151309.db2.gz PYEIMCHIKBZOND-CYBMUJFWSA-N 1 2 346.780 3.265 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cscc2C(F)F)C1 ZINC001079710510 1357353570 /nfs/dbraw/zinc/35/35/70/1357353570.db2.gz LPBRZTIPPIBQHT-PRHODGIISA-N 1 2 334.819 3.488 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cscc2C(F)F)C1 ZINC001079710510 1357353572 /nfs/dbraw/zinc/35/35/72/1357353572.db2.gz LPBRZTIPPIBQHT-PRHODGIISA-N 1 2 334.819 3.488 20 30 EGEDLO CC(C)CC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001049290477 1347772765 /nfs/dbraw/zinc/77/27/65/1347772765.db2.gz DNQNKMZLXMNLGC-OALUTQOASA-N 1 2 343.446 3.309 20 30 EGEDLO CC(C)CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001049290477 1347772770 /nfs/dbraw/zinc/77/27/70/1347772770.db2.gz DNQNKMZLXMNLGC-OALUTQOASA-N 1 2 343.446 3.309 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(CC)CC ZINC001049322968 1347790103 /nfs/dbraw/zinc/79/01/03/1347790103.db2.gz QQSCBPJJQAVTNR-LSDHHAIUSA-N 1 2 343.309 3.397 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(CC)CC ZINC001049322968 1347790106 /nfs/dbraw/zinc/79/01/06/1347790106.db2.gz QQSCBPJJQAVTNR-LSDHHAIUSA-N 1 2 343.309 3.397 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1c(C)noc1C1CC1 ZINC001049597931 1347929707 /nfs/dbraw/zinc/92/97/07/1347929707.db2.gz HMOSVUOHSWIABZ-GJZGRUSLSA-N 1 2 349.862 3.292 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1c(C)noc1C1CC1 ZINC001049597931 1347929708 /nfs/dbraw/zinc/92/97/08/1347929708.db2.gz HMOSVUOHSWIABZ-GJZGRUSLSA-N 1 2 349.862 3.292 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1nccn1CC ZINC001049633317 1347945101 /nfs/dbraw/zinc/94/51/01/1347945101.db2.gz JFYZUNBODOPVOE-DLBZAZTESA-N 1 2 344.503 3.071 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1nccn1CC ZINC001049633317 1347945103 /nfs/dbraw/zinc/94/51/03/1347945103.db2.gz JFYZUNBODOPVOE-DLBZAZTESA-N 1 2 344.503 3.071 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1oc(C2CC2)nc1C ZINC001049783613 1348020098 /nfs/dbraw/zinc/02/00/98/1348020098.db2.gz UQNOHUFDVCSWSJ-LSDHHAIUSA-N 1 2 349.862 3.292 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1oc(C2CC2)nc1C ZINC001049783613 1348020102 /nfs/dbraw/zinc/02/01/02/1348020102.db2.gz UQNOHUFDVCSWSJ-LSDHHAIUSA-N 1 2 349.862 3.292 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ncc(Cl)s3)[C@@H]2C1 ZINC001050094625 1348181075 /nfs/dbraw/zinc/18/10/75/1348181075.db2.gz IDIRTXBJYJVWPY-WDEREUQCSA-N 1 2 346.283 3.085 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)c3ncc(Cl)s3)[C@@H]2C1 ZINC001050094625 1348181077 /nfs/dbraw/zinc/18/10/77/1348181077.db2.gz IDIRTXBJYJVWPY-WDEREUQCSA-N 1 2 346.283 3.085 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(C(C)C)on3)[C@@H]2C1 ZINC001050104185 1348184149 /nfs/dbraw/zinc/18/41/49/1348184149.db2.gz JDMUZWVYZTYNKI-DZGCQCFKSA-N 1 2 337.851 3.087 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(C(C)C)on3)[C@@H]2C1 ZINC001050104185 1348184151 /nfs/dbraw/zinc/18/41/51/1348184151.db2.gz JDMUZWVYZTYNKI-DZGCQCFKSA-N 1 2 337.851 3.087 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1coc2ccc(CC)cc21 ZINC001050920038 1348373181 /nfs/dbraw/zinc/37/31/81/1348373181.db2.gz VQFBBRHCBHYJTM-INIZCTEOSA-N 1 2 342.439 3.002 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1coc2ccc(CC)cc21 ZINC001050920038 1348373184 /nfs/dbraw/zinc/37/31/84/1348373184.db2.gz VQFBBRHCBHYJTM-INIZCTEOSA-N 1 2 342.439 3.002 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc3ccccc3s1)O2 ZINC001053624610 1349080035 /nfs/dbraw/zinc/08/00/35/1349080035.db2.gz XQCJSSHRAPAFDN-OAHLLOKOSA-N 1 2 342.464 3.051 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(C(C)C)s1)O2 ZINC001053701472 1349098523 /nfs/dbraw/zinc/09/85/23/1349098523.db2.gz WGFGGHAIZTUPEU-AWEZNQCLSA-N 1 2 334.485 3.021 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCC(C)(C)C1)O2 ZINC001053701769 1349099015 /nfs/dbraw/zinc/09/90/15/1349099015.db2.gz FKYZQGVLXABJOR-DLBZAZTESA-N 1 2 334.504 3.129 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C1CC(C)(C)CC(C)(C)C1)CO2 ZINC001053882433 1349121090 /nfs/dbraw/zinc/12/10/90/1349121090.db2.gz ZNXKFWISCBKVEK-KRWDZBQOSA-N 1 2 348.531 3.375 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC(F)(F)C3)cc2C1 ZINC001054280803 1349281782 /nfs/dbraw/zinc/28/17/82/1349281782.db2.gz SNDZYZBTAOMXES-HNNXBMFYSA-N 1 2 332.394 3.077 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC(F)(F)C3)cc2C1 ZINC001054280803 1349281785 /nfs/dbraw/zinc/28/17/85/1349281785.db2.gz SNDZYZBTAOMXES-HNNXBMFYSA-N 1 2 332.394 3.077 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc4scnc4c3)cc2C1 ZINC001054288006 1349291201 /nfs/dbraw/zinc/29/12/01/1349291201.db2.gz GWRKCOOROGAASW-UHFFFAOYSA-N 1 2 347.443 3.175 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc4scnc4c3)cc2C1 ZINC001054288006 1349291205 /nfs/dbraw/zinc/29/12/05/1349291205.db2.gz GWRKCOOROGAASW-UHFFFAOYSA-N 1 2 347.443 3.175 20 30 EGEDLO CC(C)c1cc(N[C@@H]2CCN(C(=O)C#CC3CC3)C2)nc(C(C)C)[nH+]1 ZINC001056629070 1349882933 /nfs/dbraw/zinc/88/29/33/1349882933.db2.gz SDLKWBLCGZJWRL-MRXNPFEDSA-N 1 2 340.471 3.150 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@@H](Nc3cc(C)[nH+]c(C4CC4)n3)C2)CC1 ZINC001056767168 1349934289 /nfs/dbraw/zinc/93/42/89/1349934289.db2.gz ZUBWYQARJWTOBN-QGZVFWFLSA-N 1 2 340.471 3.422 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001057013963 1349974770 /nfs/dbraw/zinc/97/47/70/1349974770.db2.gz DDVYKKVBXFDHSW-UZLBHIALSA-N 1 2 342.487 3.302 20 30 EGEDLO COc1cc(Br)cc(F)c1C[NH+]1CCC(S)CC1 ZINC001233066749 1376561931 /nfs/dbraw/zinc/56/19/31/1376561931.db2.gz KKEQWSMAZLIKFU-UHFFFAOYSA-N 1 2 334.254 3.491 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001057726705 1350119718 /nfs/dbraw/zinc/11/97/18/1350119718.db2.gz POOQWFCSQCVDKZ-HNNXBMFYSA-N 1 2 328.460 3.278 20 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C=CC(C)(C)C(=O)N1CC[C@@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001060957554 1351191836 /nfs/dbraw/zinc/19/18/36/1351191836.db2.gz QAVMTJIFTJQPRB-HNNXBMFYSA-N 1 2 330.476 3.381 20 30 EGEDLO C=C1CCC(C(=O)N2CCC(CN(C)c3cc[nH+]c(C)n3)CC2)CC1 ZINC001062229015 1351492376 /nfs/dbraw/zinc/49/23/76/1351492376.db2.gz WJXYPRUYLZHGIQ-UHFFFAOYSA-N 1 2 342.487 3.206 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001080395815 1357604922 /nfs/dbraw/zinc/60/49/22/1357604922.db2.gz NWHDYPXJTPXSNN-MRVWCRGKSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001080395815 1357604924 /nfs/dbraw/zinc/60/49/24/1357604924.db2.gz NWHDYPXJTPXSNN-MRVWCRGKSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]c(C(C)C)n1 ZINC001062552499 1351590521 /nfs/dbraw/zinc/59/05/21/1351590521.db2.gz IUJOQJJCSKVSNX-HOTGVXAUSA-N 1 2 342.487 3.300 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3csc(C4CC4)n3)C[C@H]2C)C1 ZINC001080404391 1357608631 /nfs/dbraw/zinc/60/86/31/1357608631.db2.gz FZVRWGCENQQACY-CZUORRHYSA-N 1 2 345.512 3.313 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3csc(C4CC4)n3)C[C@H]2C)C1 ZINC001080404391 1357608635 /nfs/dbraw/zinc/60/86/35/1357608635.db2.gz FZVRWGCENQQACY-CZUORRHYSA-N 1 2 345.512 3.313 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@]2(C1)CCCN(c1cc[nH+]c(C)n1)C2 ZINC001064564143 1352626854 /nfs/dbraw/zinc/62/68/54/1352626854.db2.gz OVKRFNXICWRNSS-HXUWFJFHSA-N 1 2 342.487 3.206 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC001066782757 1353216876 /nfs/dbraw/zinc/21/68/76/1353216876.db2.gz POJGHWBIVGFGPM-KRWDZBQOSA-N 1 2 328.460 3.007 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CN(c3nc(C)[nH+]c(C)c3C)CC[C@@H]2C)C1 ZINC001067990701 1353609143 /nfs/dbraw/zinc/60/91/43/1353609143.db2.gz ZFAUEKYRLNAENV-GUYCJALGSA-N 1 2 342.487 3.089 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@H](Nc3cc[nH+]c(C)n3)[C@@H]2C1 ZINC001069316405 1354000192 /nfs/dbraw/zinc/00/01/92/1354000192.db2.gz SFBCCOPYMOCRGD-XHSDSOJGSA-N 1 2 328.460 3.036 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@@H]3CCC[C@@H](Nc4cc[nH+]c(C)n4)[C@H]3C2)C1 ZINC001069318500 1354001269 /nfs/dbraw/zinc/00/12/69/1354001269.db2.gz GZQOOWHVYWIJTK-YESZJQIVSA-N 1 2 340.471 3.180 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CCC=CCCC3)c2C1 ZINC001069863666 1354290236 /nfs/dbraw/zinc/29/02/36/1354290236.db2.gz DSRFVHHJCWRULT-KRWDZBQOSA-N 1 2 342.487 3.028 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CCC=CCCC3)c2C1 ZINC001069863666 1354290238 /nfs/dbraw/zinc/29/02/38/1354290238.db2.gz DSRFVHHJCWRULT-KRWDZBQOSA-N 1 2 342.487 3.028 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1)C(=O)[C@H]1CC1(C)C ZINC001085551784 1358588421 /nfs/dbraw/zinc/58/84/21/1358588421.db2.gz JFNRGAMFHYZDBD-QZTJIDSGSA-N 1 2 344.886 3.270 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1)C(=O)[C@H]1CC1(C)C ZINC001085551784 1358588423 /nfs/dbraw/zinc/58/84/23/1358588423.db2.gz JFNRGAMFHYZDBD-QZTJIDSGSA-N 1 2 344.886 3.270 20 30 EGEDLO Cc1coc(C)c1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001085579786 1358611128 /nfs/dbraw/zinc/61/11/28/1358611128.db2.gz VVEJLBGQEQYYQN-AWEZNQCLSA-N 1 2 343.452 3.176 20 30 EGEDLO Cc1coc(C)c1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001085579786 1358611131 /nfs/dbraw/zinc/61/11/31/1358611131.db2.gz VVEJLBGQEQYYQN-AWEZNQCLSA-N 1 2 343.452 3.176 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)c2ccco2)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001071312521 1354572484 /nfs/dbraw/zinc/57/24/84/1354572484.db2.gz LSLJMEATHMQJDS-CZUORRHYSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)c2ccco2)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001071312521 1354572491 /nfs/dbraw/zinc/57/24/91/1354572491.db2.gz LSLJMEATHMQJDS-CZUORRHYSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)c2cccs2)C[N@@H+]1Cc1ccc(C#N)s1 ZINC001071329281 1354593441 /nfs/dbraw/zinc/59/34/41/1354593441.db2.gz JJEJEEHBILWIOC-OLZOCXBDSA-N 1 2 345.493 3.464 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)c2cccs2)C[N@H+]1Cc1ccc(C#N)s1 ZINC001071329281 1354593446 /nfs/dbraw/zinc/59/34/46/1354593446.db2.gz JJEJEEHBILWIOC-OLZOCXBDSA-N 1 2 345.493 3.464 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C2(C)CC2)C[N@@H+]1CC#Cc1ccccc1Cl ZINC001071522418 1354743388 /nfs/dbraw/zinc/74/33/88/1354743388.db2.gz RHERZBCLLNLBJG-WBVHZDCISA-N 1 2 344.886 3.461 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C2(C)CC2)C[N@H+]1CC#Cc1ccccc1Cl ZINC001071522418 1354743390 /nfs/dbraw/zinc/74/33/90/1354743390.db2.gz RHERZBCLLNLBJG-WBVHZDCISA-N 1 2 344.886 3.461 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C2(C)CC2)C[N@@H+]1CC#Cc1ccccc1Cl ZINC001071522415 1354743764 /nfs/dbraw/zinc/74/37/64/1354743764.db2.gz RHERZBCLLNLBJG-DOTOQJQBSA-N 1 2 344.886 3.461 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C2(C)CC2)C[N@H+]1CC#Cc1ccccc1Cl ZINC001071522415 1354743768 /nfs/dbraw/zinc/74/37/68/1354743768.db2.gz RHERZBCLLNLBJG-DOTOQJQBSA-N 1 2 344.886 3.461 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc3c(o2)CCCC3)CC[C@H]1C ZINC001071561821 1354765168 /nfs/dbraw/zinc/76/51/68/1354765168.db2.gz VOFQMADFTXOBFC-UKRRQHHQSA-N 1 2 336.863 3.494 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc3c(o2)CCCC3)CC[C@H]1C ZINC001071561821 1354765171 /nfs/dbraw/zinc/76/51/71/1354765171.db2.gz VOFQMADFTXOBFC-UKRRQHHQSA-N 1 2 336.863 3.494 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccccc2COC)CC[C@@H]1C ZINC001071642312 1354821441 /nfs/dbraw/zinc/82/14/41/1354821441.db2.gz NZOJAUQMSGTKAJ-GOEBONIOSA-N 1 2 336.863 3.168 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccccc2COC)CC[C@@H]1C ZINC001071642312 1354821445 /nfs/dbraw/zinc/82/14/45/1354821445.db2.gz NZOJAUQMSGTKAJ-GOEBONIOSA-N 1 2 336.863 3.168 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)cn2CC)CC[C@H]1C ZINC001072072765 1355112874 /nfs/dbraw/zinc/11/28/74/1355112874.db2.gz OXFDHXSZGAXZPC-OCCSQVGLSA-N 1 2 344.286 3.497 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc(Cl)cn2CC)CC[C@H]1C ZINC001072072765 1355112878 /nfs/dbraw/zinc/11/28/78/1355112878.db2.gz OXFDHXSZGAXZPC-OCCSQVGLSA-N 1 2 344.286 3.497 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2c(C)nsc2C)CC[C@@H]1C ZINC001072105967 1355134278 /nfs/dbraw/zinc/13/42/78/1355134278.db2.gz NFQVVMIEBXRYGM-GWCFXTLKSA-N 1 2 327.881 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2c(C)nsc2C)CC[C@@H]1C ZINC001072105967 1355134284 /nfs/dbraw/zinc/13/42/84/1355134284.db2.gz NFQVVMIEBXRYGM-GWCFXTLKSA-N 1 2 327.881 3.095 20 30 EGEDLO CC(C)CC(=O)N1CC2(C1)CC[N@H+](CC#Cc1ccccc1Cl)C2 ZINC001072411064 1355277543 /nfs/dbraw/zinc/27/75/43/1355277543.db2.gz QDEYPJFMUQQTPK-UHFFFAOYSA-N 1 2 344.886 3.272 20 30 EGEDLO CC(C)CC(=O)N1CC2(C1)CC[N@@H+](CC#Cc1ccccc1Cl)C2 ZINC001072411064 1355277547 /nfs/dbraw/zinc/27/75/47/1355277547.db2.gz QDEYPJFMUQQTPK-UHFFFAOYSA-N 1 2 344.886 3.272 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001094712913 1361898253 /nfs/dbraw/zinc/89/82/53/1361898253.db2.gz NONIOOZVMBWTGW-KBPBESRZSA-N 1 2 330.476 3.040 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccccc3C(C)C)C[C@@H]21 ZINC001074255971 1356145239 /nfs/dbraw/zinc/14/52/39/1356145239.db2.gz MCANAQDXOFZYEL-PMACEKPBSA-N 1 2 342.483 3.301 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccccc3C(C)C)C[C@@H]21 ZINC001074255971 1356145240 /nfs/dbraw/zinc/14/52/40/1356145240.db2.gz MCANAQDXOFZYEL-PMACEKPBSA-N 1 2 342.483 3.301 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cccs2)C3)s1 ZINC001096753034 1362687727 /nfs/dbraw/zinc/68/77/27/1362687727.db2.gz IJOBERVIKPQABE-DFBGVHRSSA-N 1 2 343.477 3.217 20 30 EGEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cccs2)C3)s1 ZINC001096753034 1362687731 /nfs/dbraw/zinc/68/77/31/1362687731.db2.gz IJOBERVIKPQABE-DFBGVHRSSA-N 1 2 343.477 3.217 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCC[N@H+](CC3=CCCCC3)[C@H]2C1 ZINC001074312637 1356163531 /nfs/dbraw/zinc/16/35/31/1356163531.db2.gz QAKRAJYUWZSUHP-ZWKOTPCHSA-N 1 2 332.488 3.001 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCC[N@@H+](CC3=CCCCC3)[C@H]2C1 ZINC001074312637 1356163534 /nfs/dbraw/zinc/16/35/34/1356163534.db2.gz QAKRAJYUWZSUHP-ZWKOTPCHSA-N 1 2 332.488 3.001 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc(C)c3Cl)C[C@@H]21 ZINC001074360491 1356184427 /nfs/dbraw/zinc/18/44/27/1356184427.db2.gz NCRAJJXITAFPDN-IRXDYDNUSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc(C)c3Cl)C[C@@H]21 ZINC001074360491 1356184428 /nfs/dbraw/zinc/18/44/28/1356184428.db2.gz NCRAJJXITAFPDN-IRXDYDNUSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C34CC(C(C)(C)C)(C3)C4)C[C@@H]21 ZINC001074415264 1356197135 /nfs/dbraw/zinc/19/71/35/1356197135.db2.gz NNNVRHALSHVSPE-AMZMEHNNSA-N 1 2 346.515 3.081 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C34CC(C(C)(C)C)(C3)C4)C[C@@H]21 ZINC001074415264 1356197136 /nfs/dbraw/zinc/19/71/36/1356197136.db2.gz NNNVRHALSHVSPE-AMZMEHNNSA-N 1 2 346.515 3.081 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3ccccc13)C2 ZINC001097510245 1363029921 /nfs/dbraw/zinc/02/99/21/1363029921.db2.gz SVLSXMNVPSCBOD-UNEWFSDZSA-N 1 2 329.831 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3ccccc13)C2 ZINC001097510245 1363029922 /nfs/dbraw/zinc/02/99/22/1363029922.db2.gz SVLSXMNVPSCBOD-UNEWFSDZSA-N 1 2 329.831 3.027 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-c4ccco4)o3)[C@@H]2C1 ZINC001076026582 1356469395 /nfs/dbraw/zinc/46/93/95/1356469395.db2.gz GXLCUYBXHPSINR-UONOGXRCSA-N 1 2 346.814 3.438 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(-c4ccco4)o3)[C@@H]2C1 ZINC001076026582 1356469396 /nfs/dbraw/zinc/46/93/96/1356469396.db2.gz GXLCUYBXHPSINR-UONOGXRCSA-N 1 2 346.814 3.438 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C(F)F)o3)[C@@H]2C1 ZINC001076512802 1356599924 /nfs/dbraw/zinc/59/99/24/1356599924.db2.gz PLRZPBDBWXCSFR-WDEREUQCSA-N 1 2 330.762 3.116 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C(F)F)o3)[C@@H]2C1 ZINC001076512802 1356599927 /nfs/dbraw/zinc/59/99/27/1356599927.db2.gz PLRZPBDBWXCSFR-WDEREUQCSA-N 1 2 330.762 3.116 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4oc(C)nc4c3)[C@@H]2C1 ZINC001084440112 1358213019 /nfs/dbraw/zinc/21/30/19/1358213019.db2.gz BHHWTCQAEYTADX-GDBMZVCRSA-N 1 2 345.830 3.035 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4oc(C)nc4c3)[C@@H]2C1 ZINC001084440112 1358213021 /nfs/dbraw/zinc/21/30/21/1358213021.db2.gz BHHWTCQAEYTADX-GDBMZVCRSA-N 1 2 345.830 3.035 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)C3(C4CC4)CCC3)[C@@H]2C1 ZINC001084551378 1358235543 /nfs/dbraw/zinc/23/55/43/1358235543.db2.gz PAWAOIMVAUZHQT-UYAOXDASSA-N 1 2 349.478 3.171 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C4CC4)CCC3)[C@@H]2C1 ZINC001084551378 1358235548 /nfs/dbraw/zinc/23/55/48/1358235548.db2.gz PAWAOIMVAUZHQT-UYAOXDASSA-N 1 2 349.478 3.171 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c(C)cccn4c3)[C@@H]2C1 ZINC001084772138 1358306107 /nfs/dbraw/zinc/30/61/07/1358306107.db2.gz RJFVBPPYMSDBEY-CRAIPNDOSA-N 1 2 343.858 3.147 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c(C)cccn4c3)[C@@H]2C1 ZINC001084772138 1358306112 /nfs/dbraw/zinc/30/61/12/1358306112.db2.gz RJFVBPPYMSDBEY-CRAIPNDOSA-N 1 2 343.858 3.147 20 30 EGEDLO C=C[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=C)Cl)C[C@H]21)c1ccccc1 ZINC001084845961 1358327442 /nfs/dbraw/zinc/32/74/42/1358327442.db2.gz NJJKYPPMWQQWMJ-KZNAEPCWSA-N 1 2 330.859 3.241 20 30 EGEDLO C=C[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC(=C)Cl)C[C@H]21)c1ccccc1 ZINC001084845961 1358327448 /nfs/dbraw/zinc/32/74/48/1358327448.db2.gz NJJKYPPMWQQWMJ-KZNAEPCWSA-N 1 2 330.859 3.241 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C34CC(C(F)(F)F)(C3)C4)[C@@H]2C1 ZINC001084855313 1358329861 /nfs/dbraw/zinc/32/98/61/1358329861.db2.gz PIVSGURTLCBWDK-HGWMRPEMSA-N 1 2 348.796 3.004 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC(C(F)(F)F)(C3)C4)[C@@H]2C1 ZINC001084855313 1358329864 /nfs/dbraw/zinc/32/98/64/1358329864.db2.gz PIVSGURTLCBWDK-HGWMRPEMSA-N 1 2 348.796 3.004 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](Cc3cscn3)[C@H]2C1 ZINC001085024177 1358370825 /nfs/dbraw/zinc/37/08/25/1358370825.db2.gz AUCPBNDFSOITTB-UWWQBHOKSA-N 1 2 333.501 3.168 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cscn3)[C@H]2C1 ZINC001085024177 1358370827 /nfs/dbraw/zinc/37/08/27/1358370827.db2.gz AUCPBNDFSOITTB-UWWQBHOKSA-N 1 2 333.501 3.168 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@H]1CCCC12CC2 ZINC001085667432 1358671282 /nfs/dbraw/zinc/67/12/82/1358671282.db2.gz HWGJPDSVMJCXHV-WMLDXEAASA-N 1 2 343.496 3.233 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@H]1CCCC12CC2 ZINC001085667432 1358671285 /nfs/dbraw/zinc/67/12/85/1358671285.db2.gz HWGJPDSVMJCXHV-WMLDXEAASA-N 1 2 343.496 3.233 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@H]1CCCC12CC2 ZINC001085668185 1358673012 /nfs/dbraw/zinc/67/30/12/1358673012.db2.gz XFOHMXTZWIVHCX-WOJBJXKFSA-N 1 2 336.479 3.151 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@H]1CCCC12CC2 ZINC001085668185 1358673017 /nfs/dbraw/zinc/67/30/17/1358673017.db2.gz XFOHMXTZWIVHCX-WOJBJXKFSA-N 1 2 336.479 3.151 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001085719159 1358709942 /nfs/dbraw/zinc/70/99/42/1358709942.db2.gz MCUHOVGUIKALPO-GUDVDZBRSA-N 1 2 339.483 3.273 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001085719159 1358709945 /nfs/dbraw/zinc/70/99/45/1358709945.db2.gz MCUHOVGUIKALPO-GUDVDZBRSA-N 1 2 339.483 3.273 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1)C(=O)[C@@H]1CCC1(C)C ZINC001085775570 1358748666 /nfs/dbraw/zinc/74/86/66/1358748666.db2.gz XTMZDDVYORYESM-IRXDYDNUSA-N 1 2 343.446 3.166 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1)C(=O)[C@@H]1CCC1(C)C ZINC001085775570 1358748671 /nfs/dbraw/zinc/74/86/71/1358748671.db2.gz XTMZDDVYORYESM-IRXDYDNUSA-N 1 2 343.446 3.166 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccccc2C#N)CC1 ZINC001085798151 1358772820 /nfs/dbraw/zinc/77/28/20/1358772820.db2.gz KJYWMAOHLXUXHF-HXUWFJFHSA-N 1 2 337.467 3.337 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccccc2C#N)CC1 ZINC001085798151 1358772823 /nfs/dbraw/zinc/77/28/23/1358772823.db2.gz KJYWMAOHLXUXHF-HXUWFJFHSA-N 1 2 337.467 3.337 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2[C@H](C)c2cnc(C)cn2)CC1 ZINC001085800924 1358775934 /nfs/dbraw/zinc/77/59/34/1358775934.db2.gz FXYRDIYCHMJGJC-AEFFLSMTSA-N 1 2 342.487 3.125 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2[C@H](C)c2cnc(C)cn2)CC1 ZINC001085800924 1358775938 /nfs/dbraw/zinc/77/59/38/1358775938.db2.gz FXYRDIYCHMJGJC-AEFFLSMTSA-N 1 2 342.487 3.125 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1CC12CCCC2 ZINC001085909152 1358867989 /nfs/dbraw/zinc/86/79/89/1358867989.db2.gz BSIDUFPGEPTUHH-OALUTQOASA-N 1 2 337.467 3.171 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1CC12CCCC2 ZINC001085909152 1358867995 /nfs/dbraw/zinc/86/79/95/1358867995.db2.gz BSIDUFPGEPTUHH-OALUTQOASA-N 1 2 337.467 3.171 20 30 EGEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC001085966094 1358923384 /nfs/dbraw/zinc/92/33/84/1358923384.db2.gz ANZLEYPJIRERQB-GDBMZVCRSA-N 1 2 330.497 3.043 20 30 EGEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC001085966094 1358923385 /nfs/dbraw/zinc/92/33/85/1358923385.db2.gz ANZLEYPJIRERQB-GDBMZVCRSA-N 1 2 330.497 3.043 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CC(C)C2)C1 ZINC001086582302 1359155171 /nfs/dbraw/zinc/15/51/71/1359155171.db2.gz JKGCTZIOUHJHSA-GGXGYQBMSA-N 1 2 332.875 3.369 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CC(C)C2)C1 ZINC001086582302 1359155175 /nfs/dbraw/zinc/15/51/75/1359155175.db2.gz JKGCTZIOUHJHSA-GGXGYQBMSA-N 1 2 332.875 3.369 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2conc2C(C)C)[C@H]1CC ZINC001087599785 1359549629 /nfs/dbraw/zinc/54/96/29/1359549629.db2.gz WSORFQPIXZEZDU-UONOGXRCSA-N 1 2 325.840 3.133 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2conc2C(C)C)[C@H]1CC ZINC001087599785 1359549630 /nfs/dbraw/zinc/54/96/30/1359549630.db2.gz WSORFQPIXZEZDU-UONOGXRCSA-N 1 2 325.840 3.133 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2cccs2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088453624 1359918689 /nfs/dbraw/zinc/91/86/89/1359918689.db2.gz XAJSRUXZJAIRKF-WBMJQRKESA-N 1 2 343.427 3.152 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2cccs2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088453624 1359918690 /nfs/dbraw/zinc/91/86/90/1359918690.db2.gz XAJSRUXZJAIRKF-WBMJQRKESA-N 1 2 343.427 3.152 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2ccoc2Cl)CC[N@@H+]1Cc1ccccc1C#N ZINC001088543069 1359964764 /nfs/dbraw/zinc/96/47/64/1359964764.db2.gz IVSOAWWFPDDMEF-WBMJQRKESA-N 1 2 343.814 3.197 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2ccoc2Cl)CC[N@H+]1Cc1ccccc1C#N ZINC001088543069 1359964769 /nfs/dbraw/zinc/96/47/69/1359964769.db2.gz IVSOAWWFPDDMEF-WBMJQRKESA-N 1 2 343.814 3.197 20 30 EGEDLO C=CCOc1ccccc1C(=O)N[C@H]1CC[N@H+](CC(=C)Cl)[C@@H]1C ZINC001088672238 1360010034 /nfs/dbraw/zinc/01/00/34/1360010034.db2.gz RSRWFSMFNNDQOL-ZBFHGGJFSA-N 1 2 334.847 3.197 20 30 EGEDLO C=CCOc1ccccc1C(=O)N[C@H]1CC[N@@H+](CC(=C)Cl)[C@@H]1C ZINC001088672238 1360010037 /nfs/dbraw/zinc/01/00/37/1360010037.db2.gz RSRWFSMFNNDQOL-ZBFHGGJFSA-N 1 2 334.847 3.197 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C2(C)CCC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088796627 1360048782 /nfs/dbraw/zinc/04/87/82/1360048782.db2.gz UPIGEWTYXUQTPL-QAPCUYQASA-N 1 2 344.886 3.461 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C2(C)CCC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088796627 1360048787 /nfs/dbraw/zinc/04/87/87/1360048787.db2.gz UPIGEWTYXUQTPL-QAPCUYQASA-N 1 2 344.886 3.461 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3nc(C)ccc3c2)[C@H]1C ZINC001088933313 1360106993 /nfs/dbraw/zinc/10/69/93/1360106993.db2.gz XFSWPCGTVSJJSC-PBHICJAKSA-N 1 2 343.858 3.488 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3nc(C)ccc3c2)[C@H]1C ZINC001088933313 1360106995 /nfs/dbraw/zinc/10/69/95/1360106995.db2.gz XFSWPCGTVSJJSC-PBHICJAKSA-N 1 2 343.858 3.488 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@H](C)N(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001089129103 1360190701 /nfs/dbraw/zinc/19/07/01/1360190701.db2.gz LQHRPTFAAVDZLW-JKSUJKDBSA-N 1 2 330.476 3.348 20 30 EGEDLO C#CCCCC(=O)N[C@H](C)C[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001089300094 1360319551 /nfs/dbraw/zinc/31/95/51/1360319551.db2.gz ZYYQEYZQZMINBB-HUUCEWRRSA-N 1 2 342.487 3.163 20 30 EGEDLO C=CCCOCC(=O)N[C@@H](C)C[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001089341961 1360354817 /nfs/dbraw/zinc/35/48/17/1360354817.db2.gz JECSFLHUUVJQJQ-GJZGRUSLSA-N 1 2 348.491 3.196 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1csc(C)n1 ZINC001089683269 1360588848 /nfs/dbraw/zinc/58/88/48/1360588848.db2.gz PXJUXUSLTZQTHK-CYBMUJFWSA-N 1 2 341.908 3.424 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1csc(C)n1 ZINC001089683269 1360588852 /nfs/dbraw/zinc/58/88/52/1360588852.db2.gz PXJUXUSLTZQTHK-CYBMUJFWSA-N 1 2 341.908 3.424 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H](C)N(CC)c1nc(C)[nH+]c(C)c1C ZINC001089720827 1360623358 /nfs/dbraw/zinc/62/33/58/1360623358.db2.gz ZLZVFFZDKBXSTE-OAHLLOKOSA-N 1 2 344.503 3.317 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cccn1CC ZINC001089732050 1360635962 /nfs/dbraw/zinc/63/59/62/1360635962.db2.gz KOWZHPWUPJHLPS-OAHLLOKOSA-N 1 2 337.895 3.481 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cccn1CC ZINC001089732050 1360635966 /nfs/dbraw/zinc/63/59/66/1360635966.db2.gz KOWZHPWUPJHLPS-OAHLLOKOSA-N 1 2 337.895 3.481 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H](C)N(CC)c2nc(C)[nH+]c(C)c2C)C1 ZINC001089743999 1360646552 /nfs/dbraw/zinc/64/65/52/1360646552.db2.gz MSBZSJLAEOTJHM-CYBMUJFWSA-N 1 2 330.476 3.089 20 30 EGEDLO Cc1cc(NCCCC[C@H](C)NC(=O)C#CC2CC2)nc(C2CC2)[nH+]1 ZINC001090086115 1360817984 /nfs/dbraw/zinc/81/79/84/1360817984.db2.gz DZCVYRUAXSHQKI-AWEZNQCLSA-N 1 2 340.471 3.163 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001090804854 1360938283 /nfs/dbraw/zinc/93/82/83/1360938283.db2.gz GQAHPHHZYDHIGI-JJRVBVJISA-N 1 2 342.487 3.206 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001090810038 1360939038 /nfs/dbraw/zinc/93/90/38/1360939038.db2.gz RJKCIJAPFOECSY-UKRRQHHQSA-N 1 2 330.476 3.062 20 30 EGEDLO CC#CCCCC(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001091019959 1360980572 /nfs/dbraw/zinc/98/05/72/1360980572.db2.gz LDIMGHXVMZMUKZ-RHSMWYFYSA-N 1 2 340.471 3.115 20 30 EGEDLO CC(C)c1cc(N[C@H]2C[C@@H](CNC(=O)[C@H](C)C#N)C2)nc(C(C)C)[nH+]1 ZINC001091323644 1361044089 /nfs/dbraw/zinc/04/40/89/1361044089.db2.gz LDCOVRAYLCBVJP-KFWWJZLASA-N 1 2 343.475 3.190 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1C[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001091397589 1361079803 /nfs/dbraw/zinc/07/98/03/1361079803.db2.gz JIFVXEPTAUBAGN-IYBDPMFKSA-N 1 2 342.487 3.327 20 30 EGEDLO CC#CCCCC(=O)N1CCC[C@@H](C)[C@@H]1CCNc1cc[nH+]c(C)n1 ZINC001091660114 1361174489 /nfs/dbraw/zinc/17/44/89/1361174489.db2.gz NYZRQUQJEAXBKN-AEFFLSMTSA-N 1 2 342.487 3.408 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001092046734 1361281948 /nfs/dbraw/zinc/28/19/48/1361281948.db2.gz QQAOGLULHCLYQA-ALKREAHSSA-N 1 2 330.476 3.088 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)CC(C)(C)C1 ZINC001092086731 1361297442 /nfs/dbraw/zinc/29/74/42/1361297442.db2.gz RWAWFDUOWGMGFQ-OXJNMPFZSA-N 1 2 344.503 3.499 20 30 EGEDLO C=CCCC(=O)N1CCC(C(C)(C)CNc2cc[nH+]c(C)n2)CC1 ZINC001092309014 1361361461 /nfs/dbraw/zinc/36/14/61/1361361461.db2.gz MFOMAILGHQVAED-UHFFFAOYSA-N 1 2 330.476 3.428 20 30 EGEDLO C=CCC(CC=C)C(=O)N1C[C@@H](CNc2cc[nH+]c(C)n2)[C@H](C)C1 ZINC001092662640 1361435511 /nfs/dbraw/zinc/43/55/11/1361435511.db2.gz VJBGHNNXBLYVMC-RHSMWYFYSA-N 1 2 328.460 3.060 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(C2CC2)n1 ZINC001093017661 1361509076 /nfs/dbraw/zinc/50/90/76/1361509076.db2.gz NSVUIVYQVIKBBA-ZACQAIPSSA-N 1 2 340.471 3.245 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3[C@H](C=C(C)C)C3(C)C)CC2)C1 ZINC001093554035 1361640792 /nfs/dbraw/zinc/64/07/92/1361640792.db2.gz MQRBCIXDQJLHDU-OALUTQOASA-N 1 2 346.515 3.103 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C3(C4CCC4)CCC3)CC2)C1 ZINC001093557359 1361641789 /nfs/dbraw/zinc/64/17/89/1361641789.db2.gz URWTZRVZTONHKY-UHFFFAOYSA-N 1 2 346.515 3.225 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H](C)CC3CCCC3)CC2)C1 ZINC001093578693 1361648111 /nfs/dbraw/zinc/64/81/11/1361648111.db2.gz DLBPSUGIRMEXNY-QGZVFWFLSA-N 1 2 348.531 3.471 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3C[C@H]3C3CCCC3)CC2)C1 ZINC001093587014 1361649370 /nfs/dbraw/zinc/64/93/70/1361649370.db2.gz MKOSRLHTCIKVIU-PMACEKPBSA-N 1 2 346.515 3.081 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CC[C@H](CC)CC3)CC2)C1 ZINC001093593590 1361651600 /nfs/dbraw/zinc/65/16/00/1361651600.db2.gz KIXKLZOIBBCHIN-IYARVYRRSA-N 1 2 348.531 3.471 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@H](C)c3ccccc3)CC2)C1 ZINC001093595456 1361652203 /nfs/dbraw/zinc/65/22/03/1361652203.db2.gz FJWZCZWMFKZXJB-KRWDZBQOSA-N 1 2 342.483 3.058 20 30 EGEDLO N#Cc1ccc(NC(=O)NCc2c[nH+]cn2Cc2cccc(F)c2)cc1 ZINC001184774422 1387535460 /nfs/dbraw/zinc/53/54/60/1387535460.db2.gz FCSCYYXQZVQUQS-UHFFFAOYSA-N 1 2 349.369 3.264 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H](N(C)c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001095136571 1362028730 /nfs/dbraw/zinc/02/87/30/1362028730.db2.gz LGZMUZVJXNWZFI-INIZCTEOSA-N 1 2 330.476 3.302 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001095136572 1362028776 /nfs/dbraw/zinc/02/87/76/1362028776.db2.gz LGZMUZVJXNWZFI-MRXNPFEDSA-N 1 2 330.476 3.302 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095149831 1362032590 /nfs/dbraw/zinc/03/25/90/1362032590.db2.gz IEYHVHFHBXKXKI-RHSMWYFYSA-N 1 2 342.487 3.302 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095149830 1362032774 /nfs/dbraw/zinc/03/27/74/1362032774.db2.gz IEYHVHFHBXKXKI-PBHICJAKSA-N 1 2 342.487 3.302 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001095157581 1362036064 /nfs/dbraw/zinc/03/60/64/1362036064.db2.gz WEMCIALXJPTLMN-MRXNPFEDSA-N 1 2 330.476 3.041 20 30 EGEDLO C=CC(C)(C)C(=O)NCC1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001095373942 1362119083 /nfs/dbraw/zinc/11/90/83/1362119083.db2.gz WGJTXJRTICYXBE-UHFFFAOYSA-N 1 2 344.503 3.453 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095446179 1362143352 /nfs/dbraw/zinc/14/33/52/1362143352.db2.gz FOJLOROIRCKZRW-HXUWFJFHSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nccc3ccsc31)C2 ZINC001095568789 1362171556 /nfs/dbraw/zinc/17/15/56/1362171556.db2.gz SSYFBIHLIZZTAM-RDBSUJKOSA-N 1 2 347.871 3.384 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nccc3ccsc31)C2 ZINC001095568789 1362171558 /nfs/dbraw/zinc/17/15/58/1362171558.db2.gz SSYFBIHLIZZTAM-RDBSUJKOSA-N 1 2 347.871 3.384 20 30 EGEDLO C=CCCCC(=O)NCCCN(CC)c1nc(C)[nH+]c2c1CCCC2 ZINC001095964598 1362312061 /nfs/dbraw/zinc/31/20/61/1362312061.db2.gz SQSDGSCJYALBBS-UHFFFAOYSA-N 1 2 344.503 3.353 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)c1ccco1 ZINC001096000959 1362328929 /nfs/dbraw/zinc/32/89/29/1362328929.db2.gz JVSLFXOBIIASQE-OAOYMFHYSA-N 1 2 349.434 3.176 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)c1ccco1 ZINC001096000959 1362328933 /nfs/dbraw/zinc/32/89/33/1362328933.db2.gz JVSLFXOBIIASQE-OAOYMFHYSA-N 1 2 349.434 3.176 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)C[C@@H](C)O3)C2 ZINC001096174385 1362414746 /nfs/dbraw/zinc/41/47/46/1362414746.db2.gz SZAITWCJZMMLAC-VZEFYGNVSA-N 1 2 346.858 3.098 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)C[C@@H](C)O3)C2 ZINC001096174385 1362414750 /nfs/dbraw/zinc/41/47/50/1362414750.db2.gz SZAITWCJZMMLAC-VZEFYGNVSA-N 1 2 346.858 3.098 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC001096354042 1362472328 /nfs/dbraw/zinc/47/23/28/1362472328.db2.gz XUOXZSZKSPFKDJ-HNNXBMFYSA-N 1 2 330.476 3.385 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC001096365482 1362474859 /nfs/dbraw/zinc/47/48/59/1362474859.db2.gz YWRCAKLEEPEKCV-INIZCTEOSA-N 1 2 342.487 3.222 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096487979 1362533402 /nfs/dbraw/zinc/53/34/02/1362533402.db2.gz FSLDAPIKGMWDBU-HNNXBMFYSA-N 1 2 330.476 3.206 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CC12CCN(c1nc(C)[nH+]c(C)c1C)CC2 ZINC001096527769 1362556055 /nfs/dbraw/zinc/55/60/55/1362556055.db2.gz NPCOREHKESJUMU-QGZVFWFLSA-N 1 2 342.487 3.233 20 30 EGEDLO C=CCCCC(=O)N(CCC)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001096548314 1362573967 /nfs/dbraw/zinc/57/39/67/1362573967.db2.gz YAAIOUZZSKCUBE-UHFFFAOYSA-N 1 2 330.476 3.349 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)c1cccc(F)c1)C2 ZINC001096579665 1362586526 /nfs/dbraw/zinc/58/65/26/1362586526.db2.gz XNWIEAWDNNWPGL-IEAZIUSSSA-N 1 2 336.838 3.403 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)c1cccc(F)c1)C2 ZINC001096579665 1362586529 /nfs/dbraw/zinc/58/65/29/1362586529.db2.gz XNWIEAWDNNWPGL-IEAZIUSSSA-N 1 2 336.838 3.403 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C2CC2)C1 ZINC001096811506 1362729977 /nfs/dbraw/zinc/72/99/77/1362729977.db2.gz PMPZBGNNGHAXRY-MRXNPFEDSA-N 1 2 340.471 3.325 20 30 EGEDLO C=CC1(CC(=O)N[C@H]2C[C@H](Nc3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001097046511 1362822628 /nfs/dbraw/zinc/82/26/28/1362822628.db2.gz GMYMFBSYMQLZCH-WKILWMFISA-N 1 2 328.460 3.371 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)c1cc(C)ccn1)C2 ZINC001097323712 1362932672 /nfs/dbraw/zinc/93/26/72/1362932672.db2.gz INHPJULZZZPGQT-OAGGEKHMSA-N 1 2 347.890 3.142 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)c1cc(C)ccn1)C2 ZINC001097323712 1362932675 /nfs/dbraw/zinc/93/26/75/1362932675.db2.gz INHPJULZZZPGQT-OAGGEKHMSA-N 1 2 347.890 3.142 20 30 EGEDLO 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1366957558 /nfs/dbraw/zinc/95/75/58/1366957558.db2.gz RZNKWAOIDAFYSV-VNHYZAJKSA-N 1 2 336.373 3.214 20 30 EGEDLO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)C(F)C(F)(F)F)CCC[C@@H]12 ZINC001107414763 1366957561 /nfs/dbraw/zinc/95/75/61/1366957561.db2.gz RZNKWAOIDAFYSV-VNHYZAJKSA-N 1 2 336.373 3.214 20 30 EGEDLO C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](F)C(F)(F)F)CCC[C@@H]12 ZINC001107414763 1366957563 /nfs/dbraw/zinc/95/75/63/1366957563.db2.gz RZNKWAOIDAFYSV-VNHYZAJKSA-N 1 2 336.373 3.214 20 30 EGEDLO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](F)C(F)(F)F)CCC[C@@H]12 ZINC001107414763 1366957566 /nfs/dbraw/zinc/95/75/66/1366957566.db2.gz RZNKWAOIDAFYSV-VNHYZAJKSA-N 1 2 336.373 3.214 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC/C=C/CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107464123 1366973767 /nfs/dbraw/zinc/97/37/67/1366973767.db2.gz QLMANXDRIYVFBM-ROJDOSBLSA-N 1 2 342.487 3.350 20 30 EGEDLO C#CCCCCCC(=O)N[C@H](C)CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001109195194 1366995546 /nfs/dbraw/zinc/99/55/46/1366995546.db2.gz GQPPNWGUSYDKAH-MRXNPFEDSA-N 1 2 342.487 3.187 20 30 EGEDLO CC[C@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109206628 1367002391 /nfs/dbraw/zinc/00/23/91/1367002391.db2.gz RMJNIIVQHMOACN-BIGGFVEDSA-N 1 2 343.446 3.355 20 30 EGEDLO CC[C@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109206628 1367002397 /nfs/dbraw/zinc/00/23/97/1367002397.db2.gz RMJNIIVQHMOACN-BIGGFVEDSA-N 1 2 343.446 3.355 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1c(F)cccc1F ZINC001109252016 1367027378 /nfs/dbraw/zinc/02/73/78/1367027378.db2.gz VMYFHPWPWKNPRT-DACLVMHWSA-N 1 2 346.421 3.407 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1c(F)cccc1F ZINC001109252016 1367027384 /nfs/dbraw/zinc/02/73/84/1367027384.db2.gz VMYFHPWPWKNPRT-DACLVMHWSA-N 1 2 346.421 3.407 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncoc2C(C)C)C1 ZINC001189744792 1367100754 /nfs/dbraw/zinc/10/07/54/1367100754.db2.gz ZLTWKCFJXVTBPU-MRXNPFEDSA-N 1 2 331.460 3.024 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ncoc2C(C)C)C1 ZINC001189744792 1367100758 /nfs/dbraw/zinc/10/07/58/1367100758.db2.gz ZLTWKCFJXVTBPU-MRXNPFEDSA-N 1 2 331.460 3.024 20 30 EGEDLO C=C[C@@H](CC(=O)N(C)CCCNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001109459143 1367133970 /nfs/dbraw/zinc/13/39/70/1367133970.db2.gz XNUJBOCMJNYYBU-KRWDZBQOSA-N 1 2 338.455 3.405 20 30 EGEDLO C=CCCC(=O)NC[C@]1(C)C[N@H+]([C@@H](C)c2ccc(F)cc2)CCO1 ZINC001107805019 1367154354 /nfs/dbraw/zinc/15/43/54/1367154354.db2.gz RSLNCVOGCORFKE-HNAYVOBHSA-N 1 2 334.435 3.060 20 30 EGEDLO C=CCCC(=O)NC[C@]1(C)C[N@@H+]([C@@H](C)c2ccc(F)cc2)CCO1 ZINC001107805019 1367154357 /nfs/dbraw/zinc/15/43/57/1367154357.db2.gz RSLNCVOGCORFKE-HNAYVOBHSA-N 1 2 334.435 3.060 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(CC)o2)C1 ZINC001190327172 1367227585 /nfs/dbraw/zinc/22/75/85/1367227585.db2.gz BYVUKKQACJWZDS-MRXNPFEDSA-N 1 2 331.460 3.038 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(CC)o2)C1 ZINC001190327172 1367227592 /nfs/dbraw/zinc/22/75/92/1367227592.db2.gz BYVUKKQACJWZDS-MRXNPFEDSA-N 1 2 331.460 3.038 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001109635438 1367255651 /nfs/dbraw/zinc/25/56/51/1367255651.db2.gz BZENGHAULBKSLV-FZKCQIBNSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001109635438 1367255655 /nfs/dbraw/zinc/25/56/55/1367255655.db2.gz BZENGHAULBKSLV-FZKCQIBNSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2nc(C(C)C)no2)C1 ZINC001190435087 1367263742 /nfs/dbraw/zinc/26/37/42/1367263742.db2.gz CHQXPTYZLURMHZ-LSDHHAIUSA-N 1 2 334.464 3.143 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2nc(C(C)C)no2)C1 ZINC001190435087 1367263746 /nfs/dbraw/zinc/26/37/46/1367263746.db2.gz CHQXPTYZLURMHZ-LSDHHAIUSA-N 1 2 334.464 3.143 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)C[N@H+]([C@@H](C)c2cccc(F)c2)CCO1 ZINC001108122154 1367292068 /nfs/dbraw/zinc/29/20/68/1367292068.db2.gz OBNZYVZXLMIAMK-YWZLYKJASA-N 1 2 348.462 3.306 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)C[N@@H+]([C@@H](C)c2cccc(F)c2)CCO1 ZINC001108122154 1367292073 /nfs/dbraw/zinc/29/20/73/1367292073.db2.gz OBNZYVZXLMIAMK-YWZLYKJASA-N 1 2 348.462 3.306 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001108179765 1367326274 /nfs/dbraw/zinc/32/62/74/1367326274.db2.gz RFEHNJXHHIPUHA-OAHLLOKOSA-N 1 2 341.459 3.126 20 30 EGEDLO C#CCCCCC(=O)N[C@@H](CNc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001109813634 1367337975 /nfs/dbraw/zinc/33/79/75/1367337975.db2.gz SDCPYPMDMQUJRW-KRWDZBQOSA-N 1 2 342.487 3.409 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H](C)CNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001108343014 1367400846 /nfs/dbraw/zinc/40/08/46/1367400846.db2.gz SMTNOGUXHBLCRC-HNNXBMFYSA-N 1 2 330.476 3.299 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C2CC2)C1 ZINC001109969545 1367435442 /nfs/dbraw/zinc/43/54/42/1367435442.db2.gz YQBNUVCSEYZKJF-MRXNPFEDSA-N 1 2 340.471 3.325 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001108425098 1367448510 /nfs/dbraw/zinc/44/85/10/1367448510.db2.gz XZDAWURXXMCDDU-JXFKEZNVSA-N 1 2 330.472 3.207 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001108425098 1367448514 /nfs/dbraw/zinc/44/85/14/1367448514.db2.gz XZDAWURXXMCDDU-JXFKEZNVSA-N 1 2 330.472 3.207 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCC(C)(C)c2ccccc2)C1 ZINC001108434828 1367456841 /nfs/dbraw/zinc/45/68/41/1367456841.db2.gz YBSKCEWDIUSXKW-OAQYLSRUSA-N 1 2 344.499 3.138 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCC(C)(C)c2ccccc2)C1 ZINC001108434828 1367456843 /nfs/dbraw/zinc/45/68/43/1367456843.db2.gz YBSKCEWDIUSXKW-OAQYLSRUSA-N 1 2 344.499 3.138 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@@H](CC)C1 ZINC001110029595 1367466507 /nfs/dbraw/zinc/46/65/07/1367466507.db2.gz IPCYTNWTZJBSBI-DLBZAZTESA-N 1 2 328.460 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccc(C)s1)C2 ZINC001110207582 1367564486 /nfs/dbraw/zinc/56/44/86/1367564486.db2.gz IKHXITPUHGOYLO-KBMXLJTQSA-N 1 2 338.904 3.463 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccc(C)s1)C2 ZINC001110207582 1367564491 /nfs/dbraw/zinc/56/44/91/1367564491.db2.gz IKHXITPUHGOYLO-KBMXLJTQSA-N 1 2 338.904 3.463 20 30 EGEDLO C=C/C(C)=C\CC(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001191788785 1367587646 /nfs/dbraw/zinc/58/76/46/1367587646.db2.gz AJCYXOJAVIABTR-JLIAUEDWSA-N 1 2 341.430 3.252 20 30 EGEDLO C=C/C(C)=C\CC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001191788785 1367587650 /nfs/dbraw/zinc/58/76/50/1367587650.db2.gz AJCYXOJAVIABTR-JLIAUEDWSA-N 1 2 341.430 3.252 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C(C)(C)C)o2)C1 ZINC001191829333 1367605491 /nfs/dbraw/zinc/60/54/91/1367605491.db2.gz PIJXSCHSIKOFLV-INIZCTEOSA-N 1 2 345.487 3.198 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C(C)(C)C)o2)C1 ZINC001191829333 1367605494 /nfs/dbraw/zinc/60/54/94/1367605494.db2.gz PIJXSCHSIKOFLV-INIZCTEOSA-N 1 2 345.487 3.198 20 30 EGEDLO CC#CCCCC(=O)NCC1(Nc2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001110305569 1367626862 /nfs/dbraw/zinc/62/68/62/1367626862.db2.gz COBHFYFWGAVIHD-UHFFFAOYSA-N 1 2 328.460 3.163 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3coc(C4CC4)n3)C2)CCC1 ZINC001192226623 1367725097 /nfs/dbraw/zinc/72/50/97/1367725097.db2.gz KSJOGWHBCUKMJR-QGZVFWFLSA-N 1 2 343.471 3.331 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3coc(C4CC4)n3)C2)CCC1 ZINC001192226623 1367725100 /nfs/dbraw/zinc/72/51/00/1367725100.db2.gz KSJOGWHBCUKMJR-QGZVFWFLSA-N 1 2 343.471 3.331 20 30 EGEDLO CC[C@@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110491762 1367779334 /nfs/dbraw/zinc/77/93/34/1367779334.db2.gz XBUDNDJOYUEXHR-AZFSHXRASA-N 1 2 343.446 3.355 20 30 EGEDLO CC[C@@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110491762 1367779345 /nfs/dbraw/zinc/77/93/45/1367779345.db2.gz XBUDNDJOYUEXHR-AZFSHXRASA-N 1 2 343.446 3.355 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C[C@@H]1C ZINC001110501933 1367789562 /nfs/dbraw/zinc/78/95/62/1367789562.db2.gz LZFZQNWMNDMFIT-GOEBONIOSA-N 1 2 328.460 3.420 20 30 EGEDLO C=CCCC(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001110501936 1367789898 /nfs/dbraw/zinc/78/98/98/1367789898.db2.gz LZFZQNWMNDMFIT-ZBFHGGJFSA-N 1 2 328.460 3.420 20 30 EGEDLO C#CCCCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C[C@@H]1C ZINC001110513430 1367796567 /nfs/dbraw/zinc/79/65/67/1367796567.db2.gz WXOMZPZJKBFFIA-DOTOQJQBSA-N 1 2 340.471 3.257 20 30 EGEDLO C[C@@H](c1nc2ccccc2o1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110539331 1367819095 /nfs/dbraw/zinc/81/90/95/1367819095.db2.gz OJKAWDJOTMCWMM-NZPGVSJUSA-N 1 2 349.434 3.024 20 30 EGEDLO C[C@@H](c1nc2ccccc2o1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110539331 1367819100 /nfs/dbraw/zinc/81/91/00/1367819100.db2.gz OJKAWDJOTMCWMM-NZPGVSJUSA-N 1 2 349.434 3.024 20 30 EGEDLO Cc1nc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC(C)(C)C)C3)sc1C ZINC001110542806 1367820863 /nfs/dbraw/zinc/82/08/63/1367820863.db2.gz APBHDDWVYHVMEJ-OAGGEKHMSA-N 1 2 345.512 3.031 20 30 EGEDLO Cc1nc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC(C)(C)C)C3)sc1C ZINC001110542806 1367820869 /nfs/dbraw/zinc/82/08/69/1367820869.db2.gz APBHDDWVYHVMEJ-OAGGEKHMSA-N 1 2 345.512 3.031 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H](CNc2cc[nH+]c(C)n2)C2CCCC2)C1 ZINC001110677736 1367920524 /nfs/dbraw/zinc/92/05/24/1367920524.db2.gz URMHTSMACDOTOK-MRXNPFEDSA-N 1 2 328.460 3.228 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccc(F)cc1)C2 ZINC001110775798 1367976014 /nfs/dbraw/zinc/97/60/14/1367976014.db2.gz UAUUNFGMNAPIEK-ZACQAIPSSA-N 1 2 336.838 3.232 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccc(F)cc1)C2 ZINC001110775798 1367976021 /nfs/dbraw/zinc/97/60/21/1367976021.db2.gz UAUUNFGMNAPIEK-ZACQAIPSSA-N 1 2 336.838 3.232 20 30 EGEDLO C=CCCCC(=O)NC[C@]1(C)CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001110960245 1368124971 /nfs/dbraw/zinc/12/49/71/1368124971.db2.gz NRAXFHXLVWDFTF-FQEVSTJZSA-N 1 2 344.503 3.481 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ncc(C)s2)CCC1 ZINC001110987593 1368135040 /nfs/dbraw/zinc/13/50/40/1368135040.db2.gz VVDHYPLIFIWDJD-OAGGEKHMSA-N 1 2 345.512 3.419 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ncc(C)s2)CCC1 ZINC001110987593 1368135045 /nfs/dbraw/zinc/13/50/45/1368135045.db2.gz VVDHYPLIFIWDJD-OAGGEKHMSA-N 1 2 345.512 3.419 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)c1cccnc1)C2 ZINC001111102852 1368159767 /nfs/dbraw/zinc/15/97/67/1368159767.db2.gz YIUSNXRMSNVYNC-DXEWXGHRSA-N 1 2 333.863 3.049 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)c1cccnc1)C2 ZINC001111102852 1368159772 /nfs/dbraw/zinc/15/97/72/1368159772.db2.gz YIUSNXRMSNVYNC-DXEWXGHRSA-N 1 2 333.863 3.049 20 30 EGEDLO C=CCCC(=O)N1C[C@H](C)[C@H](CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001111236841 1368211061 /nfs/dbraw/zinc/21/10/61/1368211061.db2.gz FWTNBRPNAHEXMC-GOEBONIOSA-N 1 2 342.487 3.136 20 30 EGEDLO C=CCCC(=O)N1C[C@@H](C)[C@@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001111237122 1368211490 /nfs/dbraw/zinc/21/14/90/1368211490.db2.gz LXYFOSBYMURERV-ZBFHGGJFSA-N 1 2 330.476 3.381 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@H]21 ZINC001111405323 1368299976 /nfs/dbraw/zinc/29/99/76/1368299976.db2.gz GZWSKDBPUROJGL-ZWKOTPCHSA-N 1 2 342.487 3.185 20 30 EGEDLO CC/C=C(\C)C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001195079239 1368372427 /nfs/dbraw/zinc/37/24/27/1368372427.db2.gz LFPAQMFIBVLQDD-UBKPWBPPSA-N 1 2 328.431 3.068 20 30 EGEDLO CC/C=C(\C)C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001195079239 1368372430 /nfs/dbraw/zinc/37/24/30/1368372430.db2.gz LFPAQMFIBVLQDD-UBKPWBPPSA-N 1 2 328.431 3.068 20 30 EGEDLO CC(C)(C)/C=C/C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001195356367 1368427766 /nfs/dbraw/zinc/42/77/66/1368427766.db2.gz RDRYFXOFBDDPLV-BQYQJAHWSA-N 1 2 343.446 3.334 20 30 EGEDLO CC(C)(C)/C=C/C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001195356367 1368427769 /nfs/dbraw/zinc/42/77/69/1368427769.db2.gz RDRYFXOFBDDPLV-BQYQJAHWSA-N 1 2 343.446 3.334 20 30 EGEDLO CCC[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001195383908 1368431183 /nfs/dbraw/zinc/43/11/83/1368431183.db2.gz RVVBVIVVNVYYKL-HNNXBMFYSA-N 1 2 331.435 3.168 20 30 EGEDLO CCC[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001195383908 1368431185 /nfs/dbraw/zinc/43/11/85/1368431185.db2.gz RVVBVIVVNVYYKL-HNNXBMFYSA-N 1 2 331.435 3.168 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001195989664 1368529747 /nfs/dbraw/zinc/52/97/47/1368529747.db2.gz DDUZEDCBCDHCKT-UHFFFAOYSA-N 1 2 343.446 3.334 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001195989664 1368529750 /nfs/dbraw/zinc/52/97/50/1368529750.db2.gz DDUZEDCBCDHCKT-UHFFFAOYSA-N 1 2 343.446 3.334 20 30 EGEDLO CC[C@H](CC(F)F)C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC001196123898 1368552215 /nfs/dbraw/zinc/55/22/15/1368552215.db2.gz DZFDFNGCTWNFDE-GOSISDBHSA-N 1 2 348.437 3.254 20 30 EGEDLO CC[C@H](CC(F)F)C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001196123898 1368552218 /nfs/dbraw/zinc/55/22/18/1368552218.db2.gz DZFDFNGCTWNFDE-GOSISDBHSA-N 1 2 348.437 3.254 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001196853114 1368699142 /nfs/dbraw/zinc/69/91/42/1368699142.db2.gz HDRJRIQPBJRUOE-LSDHHAIUSA-N 1 2 331.485 3.112 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001196853114 1368699148 /nfs/dbraw/zinc/69/91/48/1368699148.db2.gz HDRJRIQPBJRUOE-LSDHHAIUSA-N 1 2 331.485 3.112 20 30 EGEDLO CC#CCCCC(=O)N1C[C@H](C)[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001112333432 1368771712 /nfs/dbraw/zinc/77/17/12/1368771712.db2.gz FRUJLSAYNIHUEB-DOTOQJQBSA-N 1 2 342.487 3.361 20 30 EGEDLO CC#CCCCC(=O)N1C[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)[C@@H](C)C1 ZINC001112333433 1368772085 /nfs/dbraw/zinc/77/20/85/1368772085.db2.gz FRUJLSAYNIHUEB-RDJZCZTQSA-N 1 2 342.487 3.361 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001112383490 1368812122 /nfs/dbraw/zinc/81/21/22/1368812122.db2.gz ZLSOJVQLCWLEBW-HZPDHXFCSA-N 1 2 330.476 3.108 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001112384258 1368812812 /nfs/dbraw/zinc/81/28/12/1368812812.db2.gz IOVXJOIDICDWRF-BEFAXECRSA-N 1 2 330.476 3.108 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C[C@@H]1C ZINC001112424825 1368840486 /nfs/dbraw/zinc/84/04/86/1368840486.db2.gz UFEKCGVDHXQULC-YOEHRIQHSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C[C@@H]1C ZINC001112438534 1368853857 /nfs/dbraw/zinc/85/38/57/1368853857.db2.gz SJHULZWHJQKFGH-SUMWQHHRSA-N 1 2 344.503 3.335 20 30 EGEDLO CCCCCCCCC(=O)N1CCC[N@H+](Cc2cnnn2CC)CC1 ZINC001197913619 1368923347 /nfs/dbraw/zinc/92/33/47/1368923347.db2.gz BBUPMBNQHMSORF-UHFFFAOYSA-N 1 2 349.523 3.083 20 30 EGEDLO CCCCCCCCC(=O)N1CCC[N@@H+](Cc2cnnn2CC)CC1 ZINC001197913619 1368923350 /nfs/dbraw/zinc/92/33/50/1368923350.db2.gz BBUPMBNQHMSORF-UHFFFAOYSA-N 1 2 349.523 3.083 20 30 EGEDLO C=CCCC1(C(=O)N(C)[C@@H]2CCCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC001112631433 1368960537 /nfs/dbraw/zinc/96/05/37/1368960537.db2.gz CKXULUMGUFOKPK-QGZVFWFLSA-N 1 2 342.487 3.349 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC(CN(CC)c2cc[nH+]c(C)n2)CC1 ZINC001112687013 1368980973 /nfs/dbraw/zinc/98/09/73/1368980973.db2.gz NUTJESZJQTZMNI-JKSUJKDBSA-N 1 2 344.503 3.308 20 30 EGEDLO C=C(C)CCC(=O)N1CCC(CN(CC)c2cc[nH+]c(C)n2)CC1 ZINC001112687099 1368981427 /nfs/dbraw/zinc/98/14/27/1368981427.db2.gz PUZIZWJWRYCSNV-UHFFFAOYSA-N 1 2 330.476 3.206 20 30 EGEDLO C#CCCCCC(=O)N1CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC001112775407 1368996268 /nfs/dbraw/zinc/99/62/68/1368996268.db2.gz UQBCXDHAHFXQFI-UHFFFAOYSA-N 1 2 348.874 3.057 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@@H]2CN(C)c2cc[nH+]c(C)n2)CCCC1 ZINC001112794954 1369007198 /nfs/dbraw/zinc/00/71/98/1369007198.db2.gz WEZATNQBTIDYGW-QGZVFWFLSA-N 1 2 342.487 3.349 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@H]2CN(C)c2cc[nH+]c(C)n2)CCCC1 ZINC001112794953 1369007284 /nfs/dbraw/zinc/00/72/84/1369007284.db2.gz WEZATNQBTIDYGW-KRWDZBQOSA-N 1 2 342.487 3.349 20 30 EGEDLO CCCC[C@H](C)C(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001112819710 1369027360 /nfs/dbraw/zinc/02/73/60/1369027360.db2.gz GPQDJPRQVCKJMV-KRWDZBQOSA-N 1 2 343.471 3.059 20 30 EGEDLO CC#CCCCC(=O)NC1CC(CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001112868364 1369058131 /nfs/dbraw/zinc/05/81/31/1369058131.db2.gz QUYLUSDNJXSYBX-UHFFFAOYSA-N 1 2 342.487 3.409 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[NH+](CCO[C@H]2CCCC[C@H]2C)CC1 ZINC001112888124 1369071503 /nfs/dbraw/zinc/07/15/03/1369071503.db2.gz NXOGUSPPRDXGNY-MSOLQXFVSA-N 1 2 336.520 3.328 20 30 EGEDLO C=CCCC[NH+]1CCN(C(=O)c2snc(Cl)c2Cl)CC1 ZINC001112891266 1369073511 /nfs/dbraw/zinc/07/35/11/1369073511.db2.gz MNJPYAIEOBHIDO-UHFFFAOYSA-N 1 2 334.272 3.174 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)CCC(F)F)c1ccccc1OC ZINC001198797168 1369116521 /nfs/dbraw/zinc/11/65/21/1369116521.db2.gz QOQBWIIVZAQJCR-ZDUSSCGKSA-N 1 2 346.805 3.240 20 30 EGEDLO C#CCCCCC(=O)N[C@H](C)[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001112973534 1369118662 /nfs/dbraw/zinc/11/86/62/1369118662.db2.gz LPSHSCOSIYGDKC-JKSUJKDBSA-N 1 2 330.476 3.407 20 30 EGEDLO C=CCCC1(C(=O)NC[C@@H]([NH2+]CCF)c2ccccc2OC)CC1 ZINC001198885586 1369140568 /nfs/dbraw/zinc/14/05/68/1369140568.db2.gz MBGUILDBKFMWRZ-MRXNPFEDSA-N 1 2 334.435 3.158 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](CCOc2cccc(CC)c2)CC1 ZINC001113244150 1369288554 /nfs/dbraw/zinc/28/85/54/1369288554.db2.gz UZPJLKNMSPIWEO-GOSISDBHSA-N 1 2 344.499 3.374 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](CCOc2ccc(C)cc2)CC1 ZINC001113246185 1369289148 /nfs/dbraw/zinc/28/91/48/1369289148.db2.gz IXHCXKKFKGYWSC-GOSISDBHSA-N 1 2 330.472 3.120 20 30 EGEDLO C=CCCC1(C(=O)N2CC[NH+](Cc3ccc(COC)cc3)CC2)CC1 ZINC001113310761 1369337522 /nfs/dbraw/zinc/33/75/22/1369337522.db2.gz PDQCXOTUXZPCSZ-UHFFFAOYSA-N 1 2 342.483 3.224 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccc(OC)cc3)CC2)CCC1 ZINC001113312670 1369339716 /nfs/dbraw/zinc/33/97/16/1369339716.db2.gz IPBPQUNCRIECEK-UHFFFAOYSA-N 1 2 328.456 3.086 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[NH+](C[C@@H](O)c2ccc(CC)cc2)CC1 ZINC001113388932 1369390259 /nfs/dbraw/zinc/39/02/59/1369390259.db2.gz ZJJHGWMHCXFAIG-LJQANCHMSA-N 1 2 344.499 3.029 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[NH+](CCOc2cccc(CC)c2)CC1 ZINC001113390416 1369392193 /nfs/dbraw/zinc/39/21/93/1369392193.db2.gz APSLDMQVJIVXKK-UHFFFAOYSA-N 1 2 344.499 3.374 20 30 EGEDLO C=CC1(CC(=O)NC[C@@H](C)N(C)c2cc[nH+]c(C)n2)CCCCC1 ZINC001113649393 1369542848 /nfs/dbraw/zinc/54/28/48/1369542848.db2.gz WFPXUMZNMOLHDH-OAHLLOKOSA-N 1 2 330.476 3.253 20 30 EGEDLO C=CCO[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001113713259 1369581588 /nfs/dbraw/zinc/58/15/88/1369581588.db2.gz NDNQWHFIBWEDOC-QGZVFWFLSA-N 1 2 330.472 3.045 20 30 EGEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc3cccc(Cl)c3o2)CC1 ZINC001113743783 1369598589 /nfs/dbraw/zinc/59/85/89/1369598589.db2.gz YIOOKXWPGUPCPO-UHFFFAOYSA-N 1 2 348.830 3.047 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001113852128 1369634247 /nfs/dbraw/zinc/63/42/47/1369634247.db2.gz WSHXZVQUASSOAA-AUUYWEPGSA-N 1 2 330.476 3.206 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(C(C)(C)C)on3)C[C@H]21 ZINC001114328008 1369888805 /nfs/dbraw/zinc/88/88/05/1369888805.db2.gz GZYDGTNDLDQGOL-HWWDLCQESA-N 1 2 345.487 3.121 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(C(C)(C)C)on3)C[C@H]21 ZINC001114328008 1369888810 /nfs/dbraw/zinc/88/88/10/1369888810.db2.gz GZYDGTNDLDQGOL-HWWDLCQESA-N 1 2 345.487 3.121 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CC(F)(F)C(F)F)C12CCC2 ZINC001202985074 1369945944 /nfs/dbraw/zinc/94/59/44/1369945944.db2.gz ARBIVGKKIPTLMC-VXGBXAGGSA-N 1 2 336.373 3.260 20 30 EGEDLO C=CCCC(=O)N1C[C@@H](CNc2cc(C)[nH+]c(C3CC3)n2)C[C@@H]1C ZINC001114673493 1370018795 /nfs/dbraw/zinc/01/87/95/1370018795.db2.gz BGIMVRZGESHTLP-LSDHHAIUSA-N 1 2 328.460 3.278 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(C(C)(C)C)cs3)C[C@H]21 ZINC001114686322 1370024626 /nfs/dbraw/zinc/02/46/26/1370024626.db2.gz KASTWTNXGNKSEY-VIKVFOODSA-N 1 2 347.528 3.199 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(C(C)(C)C)cs3)C[C@H]21 ZINC001114686322 1370024632 /nfs/dbraw/zinc/02/46/32/1370024632.db2.gz KASTWTNXGNKSEY-VIKVFOODSA-N 1 2 347.528 3.199 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1C[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001114808923 1370091929 /nfs/dbraw/zinc/09/19/29/1370091929.db2.gz CSJCEFHKZXPNGI-JCNLHEQBSA-N 1 2 340.471 3.163 20 30 EGEDLO CC(C)CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114870490 1370120976 /nfs/dbraw/zinc/12/09/76/1370120976.db2.gz UGSSWQBKXVJGOR-RUYXUALKSA-N 1 2 343.446 3.070 20 30 EGEDLO CC(C)CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114870490 1370120977 /nfs/dbraw/zinc/12/09/77/1370120977.db2.gz UGSSWQBKXVJGOR-RUYXUALKSA-N 1 2 343.446 3.070 20 30 EGEDLO C=CCCC(=O)N1CCC(N(C)c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001115133603 1370300402 /nfs/dbraw/zinc/30/04/02/1370300402.db2.gz UQWZUMMEILUCNZ-UHFFFAOYSA-N 1 2 328.460 3.056 20 30 EGEDLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)c(F)c(F)c2)CC[C@H]1F ZINC001204523591 1370503029 /nfs/dbraw/zinc/50/30/29/1370503029.db2.gz CUMWSAZBSFSSHN-DGCLKSJQSA-N 1 2 345.258 3.331 20 30 EGEDLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)c(F)c(F)c2)CC[C@H]1F ZINC001204523591 1370503030 /nfs/dbraw/zinc/50/30/30/1370503030.db2.gz CUMWSAZBSFSSHN-DGCLKSJQSA-N 1 2 345.258 3.331 20 30 EGEDLO C#CCCCC(=O)N(C)[C@@H](CNc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001115511617 1370510357 /nfs/dbraw/zinc/51/03/57/1370510357.db2.gz KAVAQKKGMSKWBG-KRWDZBQOSA-N 1 2 340.471 3.115 20 30 EGEDLO C=CCCCC(=O)NCC1([NH2+]Cc2noc(CCC)n2)CCCCC1 ZINC001115701600 1370683098 /nfs/dbraw/zinc/68/30/98/1370683098.db2.gz WOXQINUSKCWFCO-UHFFFAOYSA-N 1 2 348.491 3.287 20 30 EGEDLO N#Cc1ccc(OCc2nnc(-c3ccc(-n4cc[nH+]c4)cc3)o2)cc1 ZINC001326081781 1388109944 /nfs/dbraw/zinc/10/99/44/1388109944.db2.gz AXEYHMIBAUVLRN-UHFFFAOYSA-N 1 2 343.346 3.373 20 30 EGEDLO N#Cc1c(F)cc(-c2ccc(C[NH+]3CCOCC3)cc2F)cc1F ZINC001206712568 1371142515 /nfs/dbraw/zinc/14/25/15/1371142515.db2.gz UKDMOASQTBLRHY-UHFFFAOYSA-N 1 2 332.325 3.475 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(C)cc1OC ZINC001206762639 1371156629 /nfs/dbraw/zinc/15/66/29/1371156629.db2.gz NSQJQBPXGDINNW-GOSISDBHSA-N 1 2 341.455 3.039 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(C)cc1OC ZINC001206762639 1371156630 /nfs/dbraw/zinc/15/66/30/1371156630.db2.gz NSQJQBPXGDINNW-GOSISDBHSA-N 1 2 341.455 3.039 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2F)C[C@H]1C ZINC001206912682 1371221378 /nfs/dbraw/zinc/22/13/78/1371221378.db2.gz XNLHBNUZJXFUCF-CXAGYDPISA-N 1 2 336.838 3.219 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(Cl)ccc2F)C[C@H]1C ZINC001206912682 1371221381 /nfs/dbraw/zinc/22/13/81/1371221381.db2.gz XNLHBNUZJXFUCF-CXAGYDPISA-N 1 2 336.838 3.219 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](CC(=C)Br)C[C@H]1C ZINC001207094384 1371291412 /nfs/dbraw/zinc/29/14/12/1371291412.db2.gz ZMONDAQHEJJYQE-IUODEOHRSA-N 1 2 341.293 3.100 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](CC(=C)Br)C[C@H]1C ZINC001207094384 1371291414 /nfs/dbraw/zinc/29/14/14/1371291414.db2.gz ZMONDAQHEJJYQE-IUODEOHRSA-N 1 2 341.293 3.100 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001207158487 1371315413 /nfs/dbraw/zinc/31/54/13/1371315413.db2.gz SKVOIRZNFXJMPO-RDTXWAMCSA-N 1 2 343.446 3.236 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001207158487 1371315417 /nfs/dbraw/zinc/31/54/17/1371315417.db2.gz SKVOIRZNFXJMPO-RDTXWAMCSA-N 1 2 343.446 3.236 20 30 EGEDLO O=C1C=C2C[N@H+](CCc3ccccc3Br)CC[C@H]2S1 ZINC001207528842 1371425378 /nfs/dbraw/zinc/42/53/78/1371425378.db2.gz NSUGMGCTSIJFLN-CQSZACIVSA-N 1 2 338.270 3.266 20 30 EGEDLO O=C1C=C2C[N@@H+](CCc3ccccc3Br)CC[C@H]2S1 ZINC001207528842 1371425380 /nfs/dbraw/zinc/42/53/80/1371425380.db2.gz NSUGMGCTSIJFLN-CQSZACIVSA-N 1 2 338.270 3.266 20 30 EGEDLO C=CC(C)(C)C(=O)N(C)C[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001120408263 1371563757 /nfs/dbraw/zinc/56/37/57/1371563757.db2.gz MGZZBJXRUIHRHS-CYBMUJFWSA-N 1 2 330.476 3.135 20 30 EGEDLO CCCCCCC/C=C/C[N@@H+]1CCn2c(nnc2C(=O)OCC)C1 ZINC001208118947 1371602283 /nfs/dbraw/zinc/60/22/83/1371602283.db2.gz SYXQGNOQUQIUEP-ZHACJKMWSA-N 1 2 334.464 3.187 20 30 EGEDLO CCCCCCC/C=C/C[N@H+]1CCn2c(nnc2C(=O)OCC)C1 ZINC001208118947 1371602287 /nfs/dbraw/zinc/60/22/87/1371602287.db2.gz SYXQGNOQUQIUEP-ZHACJKMWSA-N 1 2 334.464 3.187 20 30 EGEDLO C=C(C)[C@@H]1CC=C(C[N@H+]2CCc3c(nnn3CC)[C@H]2COC)CC1 ZINC001208170850 1371616694 /nfs/dbraw/zinc/61/66/94/1371616694.db2.gz MLARHDRIFSMAKV-SJLPKXTDSA-N 1 2 330.476 3.146 20 30 EGEDLO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCc3c(nnn3CC)[C@H]2COC)CC1 ZINC001208170850 1371616699 /nfs/dbraw/zinc/61/66/99/1371616699.db2.gz MLARHDRIFSMAKV-SJLPKXTDSA-N 1 2 330.476 3.146 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001208294665 1371705095 /nfs/dbraw/zinc/70/50/95/1371705095.db2.gz MOFVGOBZISGSED-UKRRQHHQSA-N 1 2 331.460 3.091 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001208294665 1371705099 /nfs/dbraw/zinc/70/50/99/1371705099.db2.gz MOFVGOBZISGSED-UKRRQHHQSA-N 1 2 331.460 3.091 20 30 EGEDLO CC(C)=C(C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208332538 1371721265 /nfs/dbraw/zinc/72/12/65/1371721265.db2.gz JJEDIWJZSYXAMV-DNVCBOLYSA-N 1 2 343.446 3.380 20 30 EGEDLO CC(C)=C(C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208332538 1371721270 /nfs/dbraw/zinc/72/12/70/1371721270.db2.gz JJEDIWJZSYXAMV-DNVCBOLYSA-N 1 2 343.446 3.380 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208387740 1371747526 /nfs/dbraw/zinc/74/75/26/1371747526.db2.gz ATVMJYBXEFXDRK-SPYBWZPUSA-N 1 2 343.446 3.236 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208387740 1371747533 /nfs/dbraw/zinc/74/75/33/1371747533.db2.gz ATVMJYBXEFXDRK-SPYBWZPUSA-N 1 2 343.446 3.236 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001121037576 1371839273 /nfs/dbraw/zinc/83/92/73/1371839273.db2.gz MSPIJVFLNXBNBE-AEFFLSMTSA-N 1 2 336.863 3.184 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001121037576 1371839276 /nfs/dbraw/zinc/83/92/76/1371839276.db2.gz MSPIJVFLNXBNBE-AEFFLSMTSA-N 1 2 336.863 3.184 20 30 EGEDLO C=CC1(CC(=O)N[C@@H]2C[N@@H+](Cc3ncc(C)o3)C[C@H]2C)CCCCC1 ZINC001209406829 1372097065 /nfs/dbraw/zinc/09/70/65/1372097065.db2.gz VWADTPPUXWTABN-NVXWUHKLSA-N 1 2 345.487 3.446 20 30 EGEDLO C=CC1(CC(=O)N[C@@H]2C[N@H+](Cc3ncc(C)o3)C[C@H]2C)CCCCC1 ZINC001209406829 1372097070 /nfs/dbraw/zinc/09/70/70/1372097070.db2.gz VWADTPPUXWTABN-NVXWUHKLSA-N 1 2 345.487 3.446 20 30 EGEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2cc3cc(OC)ccc3o2)CC1 ZINC001209772327 1372190576 /nfs/dbraw/zinc/19/05/76/1372190576.db2.gz CQCZPKCETIZXJC-UHFFFAOYSA-N 1 2 342.395 3.110 20 30 EGEDLO N#Cc1cc(F)c(F)cc1Nc1ccccc1C[NH+]1CCOCC1 ZINC001209933182 1372235777 /nfs/dbraw/zinc/23/57/77/1372235777.db2.gz WIDCUSNFOLLBFL-UHFFFAOYSA-N 1 2 329.350 3.412 20 30 EGEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCCC(C)(C)CC1 ZINC001122399870 1372241848 /nfs/dbraw/zinc/24/18/48/1372241848.db2.gz HOCLGQRQODMYBB-UHFFFAOYSA-N 1 2 342.491 3.195 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)OCCCCCC)[C@@H]2C1 ZINC001187919571 1388190070 /nfs/dbraw/zinc/19/00/70/1388190070.db2.gz LUERINDDDJVIHK-IXDOHACOSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)OCCCCCC)[C@@H]2C1 ZINC001187919571 1388190075 /nfs/dbraw/zinc/19/00/75/1388190075.db2.gz LUERINDDDJVIHK-IXDOHACOSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C[C@@H]1C ZINC001123289240 1372415782 /nfs/dbraw/zinc/41/57/82/1372415782.db2.gz KSKRFGUMMBJJOE-HOCLYGCPSA-N 1 2 328.460 3.420 20 30 EGEDLO CC#CCCCC(=O)N1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C[C@@H]1C ZINC001123309850 1372421071 /nfs/dbraw/zinc/42/10/71/1372421071.db2.gz QTMULWSWEKEULV-DOTOQJQBSA-N 1 2 340.471 3.257 20 30 EGEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1N(c1cc(C)[nH+]c(CC)n1)CC2 ZINC001123451294 1372473872 /nfs/dbraw/zinc/47/38/72/1372473872.db2.gz JZJGBWKRXCVCKA-UZLBHIALSA-N 1 2 342.487 3.321 20 30 EGEDLO C#CCCCCCC(=O)N1C[C@H](Nc2cc[nH+]c(C)n2)C(C)(C)C1 ZINC001123992404 1372650156 /nfs/dbraw/zinc/65/01/56/1372650156.db2.gz AAIIHJYVCBMXDA-INIZCTEOSA-N 1 2 328.460 3.018 20 30 EGEDLO C=C(C)CCC(=O)N(C)C1CC(Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001127009387 1373067901 /nfs/dbraw/zinc/06/79/01/1373067901.db2.gz CCNPATSOJGLXBI-UHFFFAOYSA-N 1 2 328.460 3.420 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)c3ccco3)c2C1 ZINC001128160507 1373226751 /nfs/dbraw/zinc/22/67/51/1373226751.db2.gz VGAYJZKQWZGDNI-UHFFFAOYSA-N 1 2 344.459 3.192 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)c3ccco3)c2C1 ZINC001128160507 1373226754 /nfs/dbraw/zinc/22/67/54/1373226754.db2.gz VGAYJZKQWZGDNI-UHFFFAOYSA-N 1 2 344.459 3.192 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)CC(C)C)c2C1 ZINC001128182534 1373231489 /nfs/dbraw/zinc/23/14/89/1373231489.db2.gz BZCJXQPWNAAASU-UHFFFAOYSA-N 1 2 334.508 3.331 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)CC(C)C)c2C1 ZINC001128182534 1373231492 /nfs/dbraw/zinc/23/14/92/1373231492.db2.gz BZCJXQPWNAAASU-UHFFFAOYSA-N 1 2 334.508 3.331 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@]3(C)CCC[C@@H]3CC)c2C1 ZINC001128392800 1373260735 /nfs/dbraw/zinc/26/07/35/1373260735.db2.gz UOPXHDQWSRPJEE-PXNSSMCTSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@]3(C)CCC[C@@H]3CC)c2C1 ZINC001128392800 1373260739 /nfs/dbraw/zinc/26/07/39/1373260739.db2.gz UOPXHDQWSRPJEE-PXNSSMCTSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H](C)[C@H](C)C(C)(C)C)c2C1 ZINC001128517279 1373281564 /nfs/dbraw/zinc/28/15/64/1373281564.db2.gz FFVGXAHKCQQVSK-CVEARBPZSA-N 1 2 346.519 3.209 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H](C)[C@H](C)C(C)(C)C)c2C1 ZINC001128517279 1373281566 /nfs/dbraw/zinc/28/15/66/1373281566.db2.gz FFVGXAHKCQQVSK-CVEARBPZSA-N 1 2 346.519 3.209 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)CCCCC)C[C@H](C)O2 ZINC001131634115 1373739494 /nfs/dbraw/zinc/73/94/94/1373739494.db2.gz UPGHVHJBFUVWEP-RDJZCZTQSA-N 1 2 328.884 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CCCCC)C[C@H](C)O2 ZINC001131634115 1373739500 /nfs/dbraw/zinc/73/95/00/1373739500.db2.gz UPGHVHJBFUVWEP-RDJZCZTQSA-N 1 2 328.884 3.011 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)CCCCC)C[C@@H](C)O2 ZINC001131634116 1373739153 /nfs/dbraw/zinc/73/91/53/1373739153.db2.gz UPGHVHJBFUVWEP-WBVHZDCISA-N 1 2 328.884 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CCCCC)C[C@@H](C)O2 ZINC001131634116 1373739156 /nfs/dbraw/zinc/73/91/56/1373739156.db2.gz UPGHVHJBFUVWEP-WBVHZDCISA-N 1 2 328.884 3.011 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@H](C)O[C@]2(CC[N@H+](CC(=C)Cl)C2)C1 ZINC001131660974 1373748786 /nfs/dbraw/zinc/74/87/86/1373748786.db2.gz IDJQUGKGUDCECG-YJBOKZPZSA-N 1 2 340.895 3.033 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@H](C)O[C@]2(CC[N@@H+](CC(=C)Cl)C2)C1 ZINC001131660974 1373748789 /nfs/dbraw/zinc/74/87/89/1373748789.db2.gz IDJQUGKGUDCECG-YJBOKZPZSA-N 1 2 340.895 3.033 20 30 EGEDLO CC(C)SCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001131860963 1373847459 /nfs/dbraw/zinc/84/74/59/1373847459.db2.gz FJRMKHMUAZPKCW-CRAIPNDOSA-N 1 2 345.512 3.169 20 30 EGEDLO CC(C)SCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001131860963 1373847464 /nfs/dbraw/zinc/84/74/64/1373847464.db2.gz FJRMKHMUAZPKCW-CRAIPNDOSA-N 1 2 345.512 3.169 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(C(C)C)o3)C2)CCCC1 ZINC001188490741 1388317935 /nfs/dbraw/zinc/31/79/35/1388317935.db2.gz ZCVLYDBRSXYUIA-OAHLLOKOSA-N 1 2 346.475 3.020 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3coc(C)n3)[C@H]2C1 ZINC001223586773 1375038938 /nfs/dbraw/zinc/03/89/38/1375038938.db2.gz GTIIRLZUWVIYPQ-WBVHZDCISA-N 1 2 331.460 3.008 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3coc(C)n3)[C@H]2C1 ZINC001223586773 1375038940 /nfs/dbraw/zinc/03/89/40/1375038940.db2.gz GTIIRLZUWVIYPQ-WBVHZDCISA-N 1 2 331.460 3.008 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)CCC2CC2)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC001131921846 1375047479 /nfs/dbraw/zinc/04/74/79/1375047479.db2.gz DNIDOUSEZNPVOD-AUUYWEPGSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)CCC2CC2)C[N@H+]1Cc1cc(F)ccc1C#N ZINC001131921846 1375047483 /nfs/dbraw/zinc/04/74/83/1375047483.db2.gz DNIDOUSEZNPVOD-AUUYWEPGSA-N 1 2 343.446 3.357 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2c(F)cccc2F)C1 ZINC001132003617 1375095021 /nfs/dbraw/zinc/09/50/21/1375095021.db2.gz XYKHCKLEAFWIPZ-HUUCEWRRSA-N 1 2 334.410 3.237 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2c(F)cccc2F)C1 ZINC001132003617 1375095027 /nfs/dbraw/zinc/09/50/27/1375095027.db2.gz XYKHCKLEAFWIPZ-HUUCEWRRSA-N 1 2 334.410 3.237 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC001132021066 1375102121 /nfs/dbraw/zinc/10/21/21/1375102121.db2.gz KQTAINARCCQCMP-HOCLYGCPSA-N 1 2 348.874 3.174 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001132021066 1375102122 /nfs/dbraw/zinc/10/21/22/1375102122.db2.gz KQTAINARCCQCMP-HOCLYGCPSA-N 1 2 348.874 3.174 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC001132021068 1375102243 /nfs/dbraw/zinc/10/22/43/1375102243.db2.gz KQTAINARCCQCMP-ZBFHGGJFSA-N 1 2 348.874 3.174 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001132021068 1375102245 /nfs/dbraw/zinc/10/22/45/1375102245.db2.gz KQTAINARCCQCMP-ZBFHGGJFSA-N 1 2 348.874 3.174 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1cccc(F)c1F ZINC001132034878 1375109360 /nfs/dbraw/zinc/10/93/60/1375109360.db2.gz VZHFWXRBJFHQLG-GDBMZVCRSA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1cccc(F)c1F ZINC001132034878 1375109362 /nfs/dbraw/zinc/10/93/62/1375109362.db2.gz VZHFWXRBJFHQLG-GDBMZVCRSA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1c(F)cccc1F ZINC001132035192 1375109525 /nfs/dbraw/zinc/10/95/25/1375109525.db2.gz YPTSSALKXGGYRF-HUUCEWRRSA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1c(F)cccc1F ZINC001132035192 1375109528 /nfs/dbraw/zinc/10/95/28/1375109528.db2.gz YPTSSALKXGGYRF-HUUCEWRRSA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1cccc(Cl)n1 ZINC001132034489 1375109715 /nfs/dbraw/zinc/10/97/15/1375109715.db2.gz RWVQDYWABUTCRX-ZBFHGGJFSA-N 1 2 347.890 3.254 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1cccc(Cl)n1 ZINC001132034489 1375109716 /nfs/dbraw/zinc/10/97/16/1375109716.db2.gz RWVQDYWABUTCRX-ZBFHGGJFSA-N 1 2 347.890 3.254 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1c(F)cccc1F ZINC001132035190 1375109828 /nfs/dbraw/zinc/10/98/28/1375109828.db2.gz YPTSSALKXGGYRF-CABCVRRESA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1c(F)cccc1F ZINC001132035190 1375109830 /nfs/dbraw/zinc/10/98/30/1375109830.db2.gz YPTSSALKXGGYRF-CABCVRRESA-N 1 2 348.437 3.483 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2snnc2C)C1 ZINC001132057252 1375122973 /nfs/dbraw/zinc/12/29/73/1375122973.db2.gz LZPOGKCQCHBPKW-XJKSGUPXSA-N 1 2 348.516 3.084 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2snnc2C)C1 ZINC001132057252 1375122978 /nfs/dbraw/zinc/12/29/78/1375122978.db2.gz LZPOGKCQCHBPKW-XJKSGUPXSA-N 1 2 348.516 3.084 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(F)cn2)C1 ZINC001132057391 1375123015 /nfs/dbraw/zinc/12/30/15/1375123015.db2.gz OOWIKSYDUAHLEM-HNAYVOBHSA-N 1 2 345.462 3.458 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(F)cn2)C1 ZINC001132057391 1375123016 /nfs/dbraw/zinc/12/30/16/1375123016.db2.gz OOWIKSYDUAHLEM-HNAYVOBHSA-N 1 2 345.462 3.458 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2nocc2C)C1 ZINC001132057299 1375123136 /nfs/dbraw/zinc/12/31/36/1375123136.db2.gz MOYCNRGMAKSAII-RDJZCZTQSA-N 1 2 331.460 3.221 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2nocc2C)C1 ZINC001132057299 1375123140 /nfs/dbraw/zinc/12/31/40/1375123140.db2.gz MOYCNRGMAKSAII-RDJZCZTQSA-N 1 2 331.460 3.221 20 30 EGEDLO CCN(C(=O)c1ccc(-c2ccc(C#N)c(F)c2)cc1)C1C[NH+](C)C1 ZINC001188700938 1388362941 /nfs/dbraw/zinc/36/29/41/1388362941.db2.gz PABSHRMMXVSNMV-UHFFFAOYSA-N 1 2 337.398 3.140 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001132218062 1375215599 /nfs/dbraw/zinc/21/55/99/1375215599.db2.gz LURABIBGOXJFTR-HIFRSBDPSA-N 1 2 335.879 3.416 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001132218062 1375215604 /nfs/dbraw/zinc/21/56/04/1375215604.db2.gz LURABIBGOXJFTR-HIFRSBDPSA-N 1 2 335.879 3.416 20 30 EGEDLO N#Cc1ccc(C2CC2)nc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226262970 1375229659 /nfs/dbraw/zinc/22/96/59/1375229659.db2.gz YAEBCCJYUIULGL-IBGZPJMESA-N 1 2 349.434 3.110 20 30 EGEDLO N#Cc1ccc(C2CC2)nc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226262970 1375229663 /nfs/dbraw/zinc/22/96/63/1375229663.db2.gz YAEBCCJYUIULGL-IBGZPJMESA-N 1 2 349.434 3.110 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(C(C)(C)C)n1 ZINC001226523180 1375275110 /nfs/dbraw/zinc/27/51/10/1375275110.db2.gz QQELCYFKEZCKSD-HUUCEWRRSA-N 1 2 348.491 3.240 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)C(C)(C)C(=C)C)CC1 ZINC001228580256 1375605042 /nfs/dbraw/zinc/60/50/42/1375605042.db2.gz SRUFVAUVSFHIGH-UHFFFAOYSA-N 1 2 329.282 3.078 20 30 EGEDLO CC#CCCCC(=O)NC1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC001228717092 1375650292 /nfs/dbraw/zinc/65/02/92/1375650292.db2.gz DKUQYCRUFJBEGA-UHFFFAOYSA-N 1 2 334.410 3.239 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC001228748895 1375661969 /nfs/dbraw/zinc/66/19/69/1375661969.db2.gz OFXLFJDQOZRBAC-KGLIPLIRSA-N 1 2 335.517 3.244 20 30 EGEDLO CCC1(C(=O)NC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)CCC1 ZINC001228760161 1375668356 /nfs/dbraw/zinc/66/83/56/1375668356.db2.gz IOMYNASBVLSTKG-UHFFFAOYSA-N 1 2 343.446 3.358 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001228810628 1375685235 /nfs/dbraw/zinc/68/52/35/1375685235.db2.gz YQPOGIQJRCGESP-CQSZACIVSA-N 1 2 331.460 3.235 20 30 EGEDLO C=CCCCC(=O)NC1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC001228927802 1375718156 /nfs/dbraw/zinc/71/81/56/1375718156.db2.gz KZWASOWVSUMEJX-UHFFFAOYSA-N 1 2 333.501 3.457 20 30 EGEDLO C=CCC(C)(C)C(=O)NC1CC[NH+]([C@@H](C)c2nnc(C)s2)CC1 ZINC001229376641 1375821860 /nfs/dbraw/zinc/82/18/60/1375821860.db2.gz FNVVYIVRAIAXQY-LBPRGKRZSA-N 1 2 336.505 3.090 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(C(C)C)n3)C[C@H]21 ZINC001188908814 1388406448 /nfs/dbraw/zinc/40/64/48/1388406448.db2.gz JUUXXBLZEUDLII-JENIJYKNSA-N 1 2 344.503 3.099 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccn(C(C)C)n3)C[C@H]21 ZINC001188908814 1388406452 /nfs/dbraw/zinc/40/64/52/1388406452.db2.gz JUUXXBLZEUDLII-JENIJYKNSA-N 1 2 344.503 3.099 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@H+](CC(=C)Br)C[C@H]21 ZINC001188909529 1388407463 /nfs/dbraw/zinc/40/74/63/1388407463.db2.gz UGFCRCGVKDYPSI-QLFBSQMISA-N 1 2 341.293 3.030 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](CC(=C)Br)C[C@H]21 ZINC001188909529 1388407464 /nfs/dbraw/zinc/40/74/64/1388407464.db2.gz UGFCRCGVKDYPSI-QLFBSQMISA-N 1 2 341.293 3.030 20 30 EGEDLO Cc1cc(Br)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cc1C ZINC001229799299 1375895692 /nfs/dbraw/zinc/89/56/92/1375895692.db2.gz JDBKWVVEPLVSJH-UCHAVSLVSA-N 1 2 338.245 3.057 20 30 EGEDLO Cc1cc(Br)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cc1C ZINC001229799299 1375895697 /nfs/dbraw/zinc/89/56/97/1375895697.db2.gz JDBKWVVEPLVSJH-UCHAVSLVSA-N 1 2 338.245 3.057 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3csc(C)n3)C[C@H]21 ZINC001188909791 1388407716 /nfs/dbraw/zinc/40/77/16/1388407716.db2.gz ZQDJTXRNBUKKKX-JLJPHGGASA-N 1 2 333.501 3.087 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3csc(C)n3)C[C@H]21 ZINC001188909791 1388407719 /nfs/dbraw/zinc/40/77/19/1388407719.db2.gz ZQDJTXRNBUKKKX-JLJPHGGASA-N 1 2 333.501 3.087 20 30 EGEDLO C=C1CCC(C(=O)NCCC[N@@H+](CCF)Cc2cccnc2)CC1 ZINC001230838987 1376163503 /nfs/dbraw/zinc/16/35/03/1376163503.db2.gz YDVNKDCCHHBNSI-UHFFFAOYSA-N 1 2 333.451 3.106 20 30 EGEDLO C=C1CCC(C(=O)NCCC[N@H+](CCF)Cc2cccnc2)CC1 ZINC001230838987 1376163509 /nfs/dbraw/zinc/16/35/09/1376163509.db2.gz YDVNKDCCHHBNSI-UHFFFAOYSA-N 1 2 333.451 3.106 20 30 EGEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cccc(Cl)c1O)CC2 ZINC001231909845 1376347725 /nfs/dbraw/zinc/34/77/25/1376347725.db2.gz GEBFVIHKTRLCHC-UHFFFAOYSA-N 1 2 347.846 3.040 20 30 EGEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cccc(Cl)c1O)CC2 ZINC001231909845 1376347735 /nfs/dbraw/zinc/34/77/35/1376347735.db2.gz GEBFVIHKTRLCHC-UHFFFAOYSA-N 1 2 347.846 3.040 20 30 EGEDLO Cc1ccc(Cl)cc1N1CC[NH+](Cc2cc(C#N)ccn2)CC1 ZINC001232475606 1376466205 /nfs/dbraw/zinc/46/62/05/1376466205.db2.gz QWVPSIHYOUXEEZ-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1CCCC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232674134 1376499344 /nfs/dbraw/zinc/49/93/44/1376499344.db2.gz RLYKABKRZMARGP-MRXNPFEDSA-N 1 2 345.443 3.143 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1CCCC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232674134 1376499355 /nfs/dbraw/zinc/49/93/55/1376499355.db2.gz RLYKABKRZMARGP-MRXNPFEDSA-N 1 2 345.443 3.143 20 30 EGEDLO Cc1cccnc1O[C@@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001232892227 1376535578 /nfs/dbraw/zinc/53/55/78/1376535578.db2.gz DOWIMOYUXKXBHA-GOSISDBHSA-N 1 2 325.387 3.444 20 30 EGEDLO Cc1cccnc1O[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001232892227 1376535581 /nfs/dbraw/zinc/53/55/81/1376535581.db2.gz DOWIMOYUXKXBHA-GOSISDBHSA-N 1 2 325.387 3.444 20 30 EGEDLO COc1ccc(O[C@H]2CCC[N@H+](Cc3cc(F)ccc3C#N)C2)nc1 ZINC001232892850 1376535940 /nfs/dbraw/zinc/53/59/40/1376535940.db2.gz ZGLRNSFBUIDQNU-SFHVURJKSA-N 1 2 341.386 3.144 20 30 EGEDLO COc1ccc(O[C@H]2CCC[N@@H+](Cc3cc(F)ccc3C#N)C2)nc1 ZINC001232892850 1376535941 /nfs/dbraw/zinc/53/59/41/1376535941.db2.gz ZGLRNSFBUIDQNU-SFHVURJKSA-N 1 2 341.386 3.144 20 30 EGEDLO COc1cccc2c1C[N@H+](Cc1ccc(N(C)C)c(C#N)c1F)CC2 ZINC001233097115 1376569328 /nfs/dbraw/zinc/56/93/28/1376569328.db2.gz PLKMBYAVVAHKMP-UHFFFAOYSA-N 1 2 339.414 3.330 20 30 EGEDLO COc1cccc2c1C[N@@H+](Cc1ccc(N(C)C)c(C#N)c1F)CC2 ZINC001233097115 1376569337 /nfs/dbraw/zinc/56/93/37/1376569337.db2.gz PLKMBYAVVAHKMP-UHFFFAOYSA-N 1 2 339.414 3.330 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(O)c1 ZINC001233387019 1376634288 /nfs/dbraw/zinc/63/42/88/1376634288.db2.gz QQNHDPLHYQJOCM-QFIPXVFZSA-N 1 2 347.462 3.362 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c([O-])c1 ZINC001233387019 1376634318 /nfs/dbraw/zinc/63/43/18/1376634318.db2.gz QQNHDPLHYQJOCM-QFIPXVFZSA-N 1 2 347.462 3.362 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c([O-])c1 ZINC001233387019 1376634321 /nfs/dbraw/zinc/63/43/21/1376634321.db2.gz QQNHDPLHYQJOCM-QFIPXVFZSA-N 1 2 347.462 3.362 20 30 EGEDLO N#Cc1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c([O-])c1 ZINC001233387019 1376634324 /nfs/dbraw/zinc/63/43/24/1376634324.db2.gz QQNHDPLHYQJOCM-QFIPXVFZSA-N 1 2 347.462 3.362 20 30 EGEDLO N#Cc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c([O-])c1 ZINC001233387019 1376634327 /nfs/dbraw/zinc/63/43/27/1376634327.db2.gz QQNHDPLHYQJOCM-QFIPXVFZSA-N 1 2 347.462 3.362 20 30 EGEDLO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3cncc(Cl)n3)C2)c1 ZINC001233450248 1376649340 /nfs/dbraw/zinc/64/93/40/1376649340.db2.gz MDUABPYERLOOQX-MRXNPFEDSA-N 1 2 328.803 3.045 20 30 EGEDLO N#Cc1cccc(O[C@@H]2CCC[N@H+](Cc3cncc(Cl)n3)C2)c1 ZINC001233450248 1376649350 /nfs/dbraw/zinc/64/93/50/1376649350.db2.gz MDUABPYERLOOQX-MRXNPFEDSA-N 1 2 328.803 3.045 20 30 EGEDLO N#CCC(=O)c1ccccc1O[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001233525316 1376660710 /nfs/dbraw/zinc/66/07/10/1376660710.db2.gz ULDKJEFFUIUVFE-GOSISDBHSA-N 1 2 345.402 3.308 20 30 EGEDLO N#CCC(=O)c1ccccc1O[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001233525316 1376660711 /nfs/dbraw/zinc/66/07/11/1376660711.db2.gz ULDKJEFFUIUVFE-GOSISDBHSA-N 1 2 345.402 3.308 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H]1CCc2c1cc(F)cc2F ZINC001233965668 1376745573 /nfs/dbraw/zinc/74/55/73/1376745573.db2.gz CXSGHZNXLWVWJL-BEFAXECRSA-N 1 2 346.421 3.288 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H]1CCc2c1cc(F)cc2F ZINC001233965668 1376745576 /nfs/dbraw/zinc/74/55/76/1376745576.db2.gz CXSGHZNXLWVWJL-BEFAXECRSA-N 1 2 346.421 3.288 20 30 EGEDLO COc1ccc(-c2ccc(OC)c(C[NH+]3CCOCC3)c2)cc1C#N ZINC001244710831 1377039781 /nfs/dbraw/zinc/03/97/81/1377039781.db2.gz OJBZXLYVVSOFLK-UHFFFAOYSA-N 1 2 338.407 3.075 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)CCC ZINC001266480029 1377318395 /nfs/dbraw/zinc/31/83/95/1377318395.db2.gz IKTJPYHDKVRTTN-ZDUSSCGKSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)CCC ZINC001266480029 1377318400 /nfs/dbraw/zinc/31/84/00/1377318400.db2.gz IKTJPYHDKVRTTN-ZDUSSCGKSA-N 1 2 331.298 3.302 20 30 EGEDLO COc1ccc(C#N)cc1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC001136453784 1377394981 /nfs/dbraw/zinc/39/49/81/1377394981.db2.gz WECPFMJOTAPGHA-INIZCTEOSA-N 1 2 346.390 3.451 20 30 EGEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ccccc2OC(C)C)CC1 ZINC001137139568 1377484946 /nfs/dbraw/zinc/48/49/46/1377484946.db2.gz IGPIEXWWPSBGCL-UHFFFAOYSA-N 1 2 330.428 3.143 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(OC)ccc2Cl)C1 ZINC001137266946 1377507266 /nfs/dbraw/zinc/50/72/66/1377507266.db2.gz GNYRNQNXYCYAQX-CQSZACIVSA-N 1 2 338.835 3.225 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2Cl)C1 ZINC001137266946 1377507268 /nfs/dbraw/zinc/50/72/68/1377507268.db2.gz GNYRNQNXYCYAQX-CQSZACIVSA-N 1 2 338.835 3.225 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1F)C2 ZINC001137938540 1377649068 /nfs/dbraw/zinc/64/90/68/1377649068.db2.gz MBJBCQSMBSQFRE-KDOFPFPSSA-N 1 2 341.373 3.430 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1F)C2 ZINC001137938540 1377649069 /nfs/dbraw/zinc/64/90/69/1377649069.db2.gz MBJBCQSMBSQFRE-KDOFPFPSSA-N 1 2 341.373 3.430 20 30 EGEDLO OC[C@H]1C[N@H+](Cc2cc(F)ccc2C(F)(F)F)C[C@@H]1C(F)(F)F ZINC001138088186 1377675291 /nfs/dbraw/zinc/67/52/91/1377675291.db2.gz SMBKSRVAOPNMMO-SKDRFNHKSA-N 1 2 345.258 3.447 20 30 EGEDLO OC[C@H]1C[N@@H+](Cc2cc(F)ccc2C(F)(F)F)C[C@@H]1C(F)(F)F ZINC001138088186 1377675296 /nfs/dbraw/zinc/67/52/96/1377675296.db2.gz SMBKSRVAOPNMMO-SKDRFNHKSA-N 1 2 345.258 3.447 20 30 EGEDLO Cn1c[nH+]c2c1CCN(Cc1ccc(C#Cc3ccccc3)cc1)C2 ZINC001138336680 1377704836 /nfs/dbraw/zinc/70/48/36/1377704836.db2.gz VQJAKZVUBCGVKS-UHFFFAOYSA-N 1 2 327.431 3.378 20 30 EGEDLO Cn1cnc2c1CC[N@H+](Cc1ccc(C#Cc3ccccc3)cc1)C2 ZINC001138336680 1377704839 /nfs/dbraw/zinc/70/48/39/1377704839.db2.gz VQJAKZVUBCGVKS-UHFFFAOYSA-N 1 2 327.431 3.378 20 30 EGEDLO Cn1cnc2c1CC[N@@H+](Cc1ccc(C#Cc3ccccc3)cc1)C2 ZINC001138336680 1377704842 /nfs/dbraw/zinc/70/48/42/1377704842.db2.gz VQJAKZVUBCGVKS-UHFFFAOYSA-N 1 2 327.431 3.378 20 30 EGEDLO C#CCOc1ccc(C[N@H+]2CCN(C(=O)c3ccccc3)C[C@H]2C)cc1 ZINC001138561071 1377743207 /nfs/dbraw/zinc/74/32/07/1377743207.db2.gz YIXVCWANJFYOSR-GOSISDBHSA-N 1 2 348.446 3.045 20 30 EGEDLO C#CCOc1ccc(C[N@@H+]2CCN(C(=O)c3ccccc3)C[C@H]2C)cc1 ZINC001138561071 1377743209 /nfs/dbraw/zinc/74/32/09/1377743209.db2.gz YIXVCWANJFYOSR-GOSISDBHSA-N 1 2 348.446 3.045 20 30 EGEDLO N#Cc1ccccc1OC1C[NH+](Cc2ccccc2N2CCCC2)C1 ZINC001138616519 1377753418 /nfs/dbraw/zinc/75/34/18/1377753418.db2.gz WCPBHOVFGICMIZ-UHFFFAOYSA-N 1 2 333.435 3.422 20 30 EGEDLO C=CCc1cccc(C[N@@H+]2CCN(c3ccc(F)cc3)C(=O)C2)c1O ZINC001138629955 1377756726 /nfs/dbraw/zinc/75/67/26/1377756726.db2.gz LLOZFVUMEWFWHN-UHFFFAOYSA-N 1 2 340.398 3.109 20 30 EGEDLO C=CCc1cccc(C[N@H+]2CCN(c3ccc(F)cc3)C(=O)C2)c1O ZINC001138629955 1377756729 /nfs/dbraw/zinc/75/67/29/1377756729.db2.gz LLOZFVUMEWFWHN-UHFFFAOYSA-N 1 2 340.398 3.109 20 30 EGEDLO CCOc1ccc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)cc1OCC ZINC001138972695 1377811275 /nfs/dbraw/zinc/81/12/75/1377811275.db2.gz WYFLBTVPOJEIQR-QGZVFWFLSA-N 1 2 333.453 3.258 20 30 EGEDLO CCOc1ccc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)cc1OCC ZINC001138972695 1377811278 /nfs/dbraw/zinc/81/12/78/1377811278.db2.gz WYFLBTVPOJEIQR-QGZVFWFLSA-N 1 2 333.453 3.258 20 30 EGEDLO COC(C[N@H+](Cc1ccccc1)Cc1cc(C#N)ccc1F)OC ZINC001139646732 1377924933 /nfs/dbraw/zinc/92/49/33/1377924933.db2.gz HRNHSYHTTGPQNV-UHFFFAOYSA-N 1 2 328.387 3.318 20 30 EGEDLO COC(C[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccc1F)OC ZINC001139646732 1377924934 /nfs/dbraw/zinc/92/49/34/1377924934.db2.gz HRNHSYHTTGPQNV-UHFFFAOYSA-N 1 2 328.387 3.318 20 30 EGEDLO C=CCn1cc(C[N@H+]2CCCCC23CN(C(=O)OC(C)(C)C)C3)cn1 ZINC001139768987 1377948239 /nfs/dbraw/zinc/94/82/39/1377948239.db2.gz YGHWTJZBRFYPSR-UHFFFAOYSA-N 1 2 346.475 3.045 20 30 EGEDLO C=CCn1cc(C[N@@H+]2CCCCC23CN(C(=O)OC(C)(C)C)C3)cn1 ZINC001139768987 1377948240 /nfs/dbraw/zinc/94/82/40/1377948240.db2.gz YGHWTJZBRFYPSR-UHFFFAOYSA-N 1 2 346.475 3.045 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(C#N)cc1F)CCO2 ZINC001140138851 1378018585 /nfs/dbraw/zinc/01/85/85/1378018585.db2.gz UCFOKEBILOOCSR-AZUAARDMSA-N 1 2 344.430 3.271 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccc(C#N)cc1F)CCO2 ZINC001140138851 1378018588 /nfs/dbraw/zinc/01/85/88/1378018588.db2.gz UCFOKEBILOOCSR-AZUAARDMSA-N 1 2 344.430 3.271 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3cc(C#N)ccc3Cl)C[C@@H]21 ZINC001140604003 1378096310 /nfs/dbraw/zinc/09/63/10/1378096310.db2.gz MRLCCGZJSVVWSC-HOCLYGCPSA-N 1 2 347.846 3.263 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3Cl)C[C@@H]21 ZINC001140604003 1378096311 /nfs/dbraw/zinc/09/63/11/1378096311.db2.gz MRLCCGZJSVVWSC-HOCLYGCPSA-N 1 2 347.846 3.263 20 30 EGEDLO N#Cc1ccc(CN2CCC[C@@]3(CC[N@@H+](C4CCCC4)C3)C2)c(O)c1 ZINC001276494229 1378176292 /nfs/dbraw/zinc/17/62/92/1378176292.db2.gz QREIVUAZOLRKDZ-OAQYLSRUSA-N 1 2 339.483 3.494 20 30 EGEDLO N#Cc1ccc(CN2CCC[C@@]3(CC[N@H+](C4CCCC4)C3)C2)c(O)c1 ZINC001276494229 1378176293 /nfs/dbraw/zinc/17/62/93/1378176293.db2.gz QREIVUAZOLRKDZ-OAQYLSRUSA-N 1 2 339.483 3.494 20 30 EGEDLO C#CC[NH+]1CCN(Cc2cc3cccc(Cl)c3nc2Cl)CC1 ZINC001141550306 1378343228 /nfs/dbraw/zinc/34/32/28/1378343228.db2.gz VOZGTDKTIYYZMU-UHFFFAOYSA-N 1 2 334.250 3.292 20 30 EGEDLO COc1ccc(C[N@H+](C)Cc2ccc(C#N)c(SC)n2)c(OC)c1 ZINC001141941811 1378396583 /nfs/dbraw/zinc/39/65/83/1378396583.db2.gz YXQUVAFPOBBJLB-UHFFFAOYSA-N 1 2 343.452 3.324 20 30 EGEDLO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)c(SC)n2)c(OC)c1 ZINC001141941811 1378396584 /nfs/dbraw/zinc/39/65/84/1378396584.db2.gz YXQUVAFPOBBJLB-UHFFFAOYSA-N 1 2 343.452 3.324 20 30 EGEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143171246 1378553354 /nfs/dbraw/zinc/55/33/54/1378553354.db2.gz UZSNJFUNYPSEDF-ZDUSSCGKSA-N 1 2 336.382 3.390 20 30 EGEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143171246 1378553360 /nfs/dbraw/zinc/55/33/60/1378553360.db2.gz UZSNJFUNYPSEDF-ZDUSSCGKSA-N 1 2 336.382 3.390 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2ccccc2Cl)C1 ZINC001282745640 1378597461 /nfs/dbraw/zinc/59/74/61/1378597461.db2.gz VRSOPMFODCGVHZ-GFCCVEGCSA-N 1 2 327.255 3.072 20 30 EGEDLO C#Cc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@H](COCC(C)C)C2)cc1 ZINC001144569673 1378746137 /nfs/dbraw/zinc/74/61/37/1378746137.db2.gz WLMYJDCLLYGFCF-IBGZPJMESA-N 1 2 337.467 3.173 20 30 EGEDLO C#Cc1ccc(C[N@H+]2Cc3ncn(C)c3[C@H](COCC(C)C)C2)cc1 ZINC001144569673 1378746138 /nfs/dbraw/zinc/74/61/38/1378746138.db2.gz WLMYJDCLLYGFCF-IBGZPJMESA-N 1 2 337.467 3.173 20 30 EGEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@@H+](Cc1csc(CC)n1)C2 ZINC001147658719 1379056865 /nfs/dbraw/zinc/05/68/65/1379056865.db2.gz YMEQXEXVFHABNM-UHFFFAOYSA-N 1 2 333.501 3.096 20 30 EGEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@H+](Cc1csc(CC)n1)C2 ZINC001147658719 1379056869 /nfs/dbraw/zinc/05/68/69/1379056869.db2.gz YMEQXEXVFHABNM-UHFFFAOYSA-N 1 2 333.501 3.096 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1csc(C)n1)C2 ZINC001148129689 1379121820 /nfs/dbraw/zinc/12/18/20/1379121820.db2.gz HNFHSWQWIFJEPC-AWEZNQCLSA-N 1 2 333.501 3.088 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1csc(C)n1)C2 ZINC001148129689 1379121823 /nfs/dbraw/zinc/12/18/23/1379121823.db2.gz HNFHSWQWIFJEPC-AWEZNQCLSA-N 1 2 333.501 3.088 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@H+](Cc1csc(CC)n1)C2 ZINC001148126453 1379122240 /nfs/dbraw/zinc/12/22/40/1379122240.db2.gz XTLFABDYQOBPMY-OAHLLOKOSA-N 1 2 347.528 3.342 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](Cc1csc(CC)n1)C2 ZINC001148126453 1379122242 /nfs/dbraw/zinc/12/22/42/1379122242.db2.gz XTLFABDYQOBPMY-OAHLLOKOSA-N 1 2 347.528 3.342 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@H]1C[N@H+](CC=C(Cl)Cl)CCCO1 ZINC001149772087 1379442925 /nfs/dbraw/zinc/44/29/25/1379442925.db2.gz NFOVFWUGWRJGPZ-ZDUSSCGKSA-N 1 2 349.302 3.115 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@H]1C[N@@H+](CC=C(Cl)Cl)CCCO1 ZINC001149772087 1379442928 /nfs/dbraw/zinc/44/29/28/1379442928.db2.gz NFOVFWUGWRJGPZ-ZDUSSCGKSA-N 1 2 349.302 3.115 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001150796280 1379617237 /nfs/dbraw/zinc/61/72/37/1379617237.db2.gz SPVFSKVZJAJZCB-IRXDYDNUSA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001150796280 1379617240 /nfs/dbraw/zinc/61/72/40/1379617240.db2.gz SPVFSKVZJAJZCB-IRXDYDNUSA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccsc1 ZINC001151778740 1379778903 /nfs/dbraw/zinc/77/89/03/1379778903.db2.gz ZXKYHCQTNQUGOC-LLVKDONJSA-N 1 2 331.279 3.097 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1ccsc1 ZINC001151778740 1379778904 /nfs/dbraw/zinc/77/89/04/1379778904.db2.gz ZXKYHCQTNQUGOC-LLVKDONJSA-N 1 2 331.279 3.097 20 30 EGEDLO C=C[C@@H](CC(=O)NCC[NH2+]Cc1ncc(C2CC2)o1)c1ccccc1 ZINC001151943345 1379821247 /nfs/dbraw/zinc/82/12/47/1379821247.db2.gz WZPUFUQKPJNEAS-HNNXBMFYSA-N 1 2 339.439 3.118 20 30 EGEDLO C=C[C@@H](CC(=O)NCC[NH2+]Cc1ncc(C(C)C)o1)c1ccccc1 ZINC001151946943 1379823157 /nfs/dbraw/zinc/82/31/57/1379823157.db2.gz ORCWCDCPIVPDJB-INIZCTEOSA-N 1 2 341.455 3.364 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@H](C)C1CCC1 ZINC001153975260 1380166883 /nfs/dbraw/zinc/16/68/83/1380166883.db2.gz VKHQUIFCPZNZBD-HUUCEWRRSA-N 1 2 345.462 3.460 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@H](C)C1CCC1 ZINC001153975260 1380166887 /nfs/dbraw/zinc/16/68/87/1380166887.db2.gz VKHQUIFCPZNZBD-HUUCEWRRSA-N 1 2 345.462 3.460 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)C(=C)C ZINC001154584487 1380310703 /nfs/dbraw/zinc/31/07/03/1380310703.db2.gz JSWJYXSBUBAAMU-CYBMUJFWSA-N 1 2 331.298 3.324 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C(=C)C ZINC001154584487 1380310704 /nfs/dbraw/zinc/31/07/04/1380310704.db2.gz JSWJYXSBUBAAMU-CYBMUJFWSA-N 1 2 331.298 3.324 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@@H](F)C(C)C ZINC001154705130 1380335136 /nfs/dbraw/zinc/33/51/36/1380335136.db2.gz FCPUWESDXXUZTH-DYVFJYSZSA-N 1 2 337.414 3.018 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@@H](F)C(C)C ZINC001154705130 1380335139 /nfs/dbraw/zinc/33/51/39/1380335139.db2.gz FCPUWESDXXUZTH-DYVFJYSZSA-N 1 2 337.414 3.018 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1csnc1OC ZINC001154742446 1380343875 /nfs/dbraw/zinc/34/38/75/1380343875.db2.gz GUJHVBNFLVGAEB-ZIAGYGMSSA-N 1 2 339.505 3.081 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1csnc1OC ZINC001154742446 1380343876 /nfs/dbraw/zinc/34/38/76/1380343876.db2.gz GUJHVBNFLVGAEB-ZIAGYGMSSA-N 1 2 339.505 3.081 20 30 EGEDLO C=C[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(C)on1)c1ccccc1 ZINC001157047475 1380759795 /nfs/dbraw/zinc/75/97/95/1380759795.db2.gz SVOVCBGJRBSQTC-BEFAXECRSA-N 1 2 341.455 3.279 20 30 EGEDLO C=C[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(C)on1)c1ccccc1 ZINC001157047475 1380759801 /nfs/dbraw/zinc/75/98/01/1380759801.db2.gz SVOVCBGJRBSQTC-BEFAXECRSA-N 1 2 341.455 3.279 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2cc(C)on2)CCCCC1 ZINC001157236055 1380820991 /nfs/dbraw/zinc/82/09/91/1380820991.db2.gz KHJRGVOIFXGKAW-MRXNPFEDSA-N 1 2 345.487 3.283 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2cc(C)on2)CCCCC1 ZINC001157236055 1380820997 /nfs/dbraw/zinc/82/09/97/1380820997.db2.gz KHJRGVOIFXGKAW-MRXNPFEDSA-N 1 2 345.487 3.283 20 30 EGEDLO C[N@@H+](Cc1cscn1)C[C@H]1CCCCN1C(=O)C#CC(C)(C)C ZINC001157919793 1381071527 /nfs/dbraw/zinc/07/15/27/1381071527.db2.gz NXBZMCPDPJJXQD-MRXNPFEDSA-N 1 2 333.501 3.006 20 30 EGEDLO C[N@H+](Cc1cscn1)C[C@H]1CCCCN1C(=O)C#CC(C)(C)C ZINC001157919793 1381071529 /nfs/dbraw/zinc/07/15/29/1381071529.db2.gz NXBZMCPDPJJXQD-MRXNPFEDSA-N 1 2 333.501 3.006 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(C)cn1 ZINC001158377826 1381224944 /nfs/dbraw/zinc/22/49/44/1381224944.db2.gz QMJQKBNFLHIETF-ZWKOTPCHSA-N 1 2 344.503 3.200 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(C)cn1 ZINC001158377826 1381224949 /nfs/dbraw/zinc/22/49/49/1381224949.db2.gz QMJQKBNFLHIETF-ZWKOTPCHSA-N 1 2 344.503 3.200 20 30 EGEDLO CCCC(=O)NCCC1=CC[N@H+](Cc2cc(F)ccc2C#N)CC1 ZINC001159080363 1381566709 /nfs/dbraw/zinc/56/67/09/1381566709.db2.gz VPKTWNTUZIVIMQ-UHFFFAOYSA-N 1 2 329.419 3.136 20 30 EGEDLO CCCC(=O)NCCC1=CC[N@@H+](Cc2cc(F)ccc2C#N)CC1 ZINC001159080363 1381566728 /nfs/dbraw/zinc/56/67/28/1381566728.db2.gz VPKTWNTUZIVIMQ-UHFFFAOYSA-N 1 2 329.419 3.136 20 30 EGEDLO Nc1cc(F)c(Cl)nc1NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001160025600 1381972403 /nfs/dbraw/zinc/97/24/03/1381972403.db2.gz AOAMWDMCIBCJIA-UHFFFAOYSA-N 1 2 330.750 3.352 20 30 EGEDLO C=CCOc1ccccc1[C@H](C)Nc1ccc(Cn2cncn2)c[nH+]1 ZINC001160182529 1382027280 /nfs/dbraw/zinc/02/72/80/1382027280.db2.gz FZHLEFPGJHVSQH-HNNXBMFYSA-N 1 2 335.411 3.459 20 30 EGEDLO N#Cc1cncc(Nc2ccc(O[C@H]3CC[NH2+]CC3(F)F)cc2)c1 ZINC001160348731 1382079506 /nfs/dbraw/zinc/07/95/06/1382079506.db2.gz BQHPSZKZOLNAJI-INIZCTEOSA-N 1 2 330.338 3.073 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2nccs2)CC1 ZINC001160961086 1382251701 /nfs/dbraw/zinc/25/17/01/1382251701.db2.gz IWVPIGHNTQGYFP-HNNXBMFYSA-N 1 2 333.501 3.384 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2nccs2)CC1 ZINC001160961086 1382251708 /nfs/dbraw/zinc/25/17/08/1382251708.db2.gz IWVPIGHNTQGYFP-HNNXBMFYSA-N 1 2 333.501 3.384 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@@H+]([C@H](C)c2ncccn2)CC1 ZINC001160967050 1382254041 /nfs/dbraw/zinc/25/40/41/1382254041.db2.gz AKGBKMQIWLKTFL-IAGOWNOFSA-N 1 2 342.487 3.278 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@H+]([C@H](C)c2ncccn2)CC1 ZINC001160967050 1382254043 /nfs/dbraw/zinc/25/40/43/1382254043.db2.gz AKGBKMQIWLKTFL-IAGOWNOFSA-N 1 2 342.487 3.278 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001160967376 1382254435 /nfs/dbraw/zinc/25/44/35/1382254435.db2.gz HUYXDUHWTNLFOH-CABCVRRESA-N 1 2 346.475 3.180 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@H+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001160967376 1382254440 /nfs/dbraw/zinc/25/44/40/1382254440.db2.gz HUYXDUHWTNLFOH-CABCVRRESA-N 1 2 346.475 3.180 20 30 EGEDLO C=CCCC1(C(=O)NCCC2=CC[N@H+](Cc3cc(C)on3)CC2)CC1 ZINC001161113038 1382301796 /nfs/dbraw/zinc/30/17/96/1382301796.db2.gz NIYYFVOIOKQVJD-UHFFFAOYSA-N 1 2 343.471 3.368 20 30 EGEDLO C=CCCC1(C(=O)NCCC2=CC[N@@H+](Cc3cc(C)on3)CC2)CC1 ZINC001161113038 1382301801 /nfs/dbraw/zinc/30/18/01/1382301801.db2.gz NIYYFVOIOKQVJD-UHFFFAOYSA-N 1 2 343.471 3.368 20 30 EGEDLO C=CCCC(=O)NCC1(COC)CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC001162150842 1382640893 /nfs/dbraw/zinc/64/08/93/1382640893.db2.gz GGLYNNGOQAXQLG-GXDHUFHOSA-N 1 2 349.302 3.116 20 30 EGEDLO CC(C)(C)[NH+]1CC(NC(F)(F)c2cc(Cl)nc(Cl)c2C#N)C1 ZINC001162219720 1382659569 /nfs/dbraw/zinc/65/95/69/1382659569.db2.gz BWZTUFLOODBXIF-UHFFFAOYSA-N 1 2 349.212 3.382 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC[NH2+]Cc1noc(C2CCCCC2)n1 ZINC001164324093 1383177670 /nfs/dbraw/zinc/17/76/70/1383177670.db2.gz OZBSLKLOGYHMQH-HNNXBMFYSA-N 1 2 348.491 3.316 20 30 EGEDLO COc1cc(C[NH+]2CCOCC2)ccc1NCc1ccccc1C#N ZINC001167637390 1383694674 /nfs/dbraw/zinc/69/46/74/1383694674.db2.gz WEAJTWDVYTYLGF-UHFFFAOYSA-N 1 2 337.423 3.011 20 30 EGEDLO C=CC1(CC(=O)NCCC[NH2+]Cc2noc(C(C)C)n2)CCCCC1 ZINC001168182855 1383836377 /nfs/dbraw/zinc/83/63/77/1383836377.db2.gz PYTDINMMZOHHMI-UHFFFAOYSA-N 1 2 348.491 3.316 20 30 EGEDLO COc1cccc(C[NH+]2CCN([C@@H](C)Cc3cccc(C#N)c3)CC2)c1 ZINC001171222106 1384472532 /nfs/dbraw/zinc/47/25/32/1384472532.db2.gz DBENIWROTBIXQJ-SFHVURJKSA-N 1 2 349.478 3.316 20 30 EGEDLO CC(C)[C@](C)(C#N)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171240322 1384477139 /nfs/dbraw/zinc/47/71/39/1384477139.db2.gz YYGJQERSANMIEV-DLZDZTESSA-N 1 2 325.456 3.350 20 30 EGEDLO N#Cc1ccccc1OC1C[NH+]([C@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171496565 1384542182 /nfs/dbraw/zinc/54/21/82/1384542182.db2.gz DPPLODVVGCKGAP-INIZCTEOSA-N 1 2 340.373 3.457 20 30 EGEDLO COC(=O)[C@@](C)(Cc1ccccc1)[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172295139 1384762698 /nfs/dbraw/zinc/76/26/98/1384762698.db2.gz AYADBKNQAOIRHV-IIBYNOLFSA-N 1 2 336.435 3.253 20 30 EGEDLO CCCN(C(=O)[C@@H](C)C#N)C1CC[NH+](Cc2ncc(C(C)C)o2)CC1 ZINC001317004276 1384763316 /nfs/dbraw/zinc/76/33/16/1384763316.db2.gz RKGJVHBOPVWABK-HNNXBMFYSA-N 1 2 346.475 3.161 20 30 EGEDLO CCOC(=O)[C@@H]1c2ccc(OC)cc2CC[N@@H+]1[C@@H](C)CCCC#N ZINC001172506078 1384806316 /nfs/dbraw/zinc/80/63/16/1384806316.db2.gz NBZWLMGUXJYJAQ-KSSFIOAISA-N 1 2 330.428 3.240 20 30 EGEDLO CCOC(=O)[C@@H]1c2ccc(OC)cc2CC[N@H+]1[C@@H](C)CCCC#N ZINC001172506078 1384806321 /nfs/dbraw/zinc/80/63/21/1384806321.db2.gz NBZWLMGUXJYJAQ-KSSFIOAISA-N 1 2 330.428 3.240 20 30 EGEDLO CC[C@@H](C#N)[NH2+][C@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172520984 1384808371 /nfs/dbraw/zinc/80/83/71/1384808371.db2.gz SHKANBPAEMPZFL-VJANTYMQSA-N 1 2 325.456 3.209 20 30 EGEDLO FC(F)(F)C(F)(F)C(F)(F)C[NH2+][C@H]1CCc2ncsc2C1 ZINC001173121302 1384918256 /nfs/dbraw/zinc/91/82/56/1384918256.db2.gz NIDBRILKNIJRFL-LURJTMIESA-N 1 2 336.276 3.423 20 30 EGEDLO C=CCOC(=O)[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)CC ZINC001173214270 1384937032 /nfs/dbraw/zinc/93/70/32/1384937032.db2.gz AFMCOKAOJQIMOH-ZQIUZPCESA-N 1 2 334.416 3.259 20 30 EGEDLO CNC(=O)c1cc(C#N)cc(C)c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174523871 1385116382 /nfs/dbraw/zinc/11/63/82/1385116382.db2.gz WKNLOQJOXCWZIQ-UHFFFAOYSA-N 1 2 349.438 3.355 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccc2nc(C)ccc2c1 ZINC001317488884 1385187690 /nfs/dbraw/zinc/18/76/90/1385187690.db2.gz ZBPAPNZIOCKSRN-UHFFFAOYSA-N 1 2 331.847 3.347 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccc2nc(C)ccc2c1 ZINC001317488884 1385187691 /nfs/dbraw/zinc/18/76/91/1385187691.db2.gz ZBPAPNZIOCKSRN-UHFFFAOYSA-N 1 2 331.847 3.347 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnc2ccc(F)cc2c1 ZINC001317488929 1385187976 /nfs/dbraw/zinc/18/79/76/1385187976.db2.gz NFIDLNUOVMLNNX-UHFFFAOYSA-N 1 2 335.810 3.178 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnc2ccc(F)cc2c1 ZINC001317488929 1385187978 /nfs/dbraw/zinc/18/79/78/1385187978.db2.gz NFIDLNUOVMLNNX-UHFFFAOYSA-N 1 2 335.810 3.178 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C3(CC(C)C)CCC3)C[C@H]21 ZINC001177047386 1385784269 /nfs/dbraw/zinc/78/42/69/1385784269.db2.gz DSLRVWPGZFGRSM-MSOLQXFVSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C3(CC(C)C)CCC3)C[C@H]21 ZINC001177047386 1385784271 /nfs/dbraw/zinc/78/42/71/1385784271.db2.gz DSLRVWPGZFGRSM-MSOLQXFVSA-N 1 2 334.504 3.081 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]3OCC[N@@H+](CC=C(C)C)[C@H]3C2)CCC1 ZINC001177101315 1385812588 /nfs/dbraw/zinc/81/25/88/1385812588.db2.gz LFAFLDQGNIVIGE-ZWKOTPCHSA-N 1 2 332.488 3.001 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]3OCC[N@H+](CC=C(C)C)[C@H]3C2)CCC1 ZINC001177101315 1385812591 /nfs/dbraw/zinc/81/25/91/1385812591.db2.gz LFAFLDQGNIVIGE-ZWKOTPCHSA-N 1 2 332.488 3.001 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCCC3CCCC3)C[C@@H]21 ZINC001177158241 1385838323 /nfs/dbraw/zinc/83/83/23/1385838323.db2.gz WNMYXGGBYNFPEJ-OALUTQOASA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCCC3CCCC3)C[C@@H]21 ZINC001177158241 1385838332 /nfs/dbraw/zinc/83/83/32/1385838332.db2.gz WNMYXGGBYNFPEJ-OALUTQOASA-N 1 2 334.504 3.225 20 30 EGEDLO CC[C@](C)(C#N)C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001321836772 1386994244 /nfs/dbraw/zinc/99/42/44/1386994244.db2.gz QJTLUMULUMFKPE-LJQANCHMSA-N 1 2 339.443 3.427 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C1(c2ccc(F)cc2)CCC1 ZINC001322217424 1387106718 /nfs/dbraw/zinc/10/67/18/1387106718.db2.gz FWQXIRBTHWODTD-CQSZACIVSA-N 1 2 338.854 3.436 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C1(c2ccc(F)cc2)CCC1 ZINC001322217424 1387106721 /nfs/dbraw/zinc/10/67/21/1387106721.db2.gz FWQXIRBTHWODTD-CQSZACIVSA-N 1 2 338.854 3.436 20 30 EGEDLO CC(=O)/C=C(/C)NC(=O)[C@H](c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC001182243364 1387130258 /nfs/dbraw/zinc/13/02/58/1387130258.db2.gz DIDQNEQCZPUCHF-HZMYXVCSSA-N 1 2 336.435 3.469 20 30 EGEDLO CC(=O)/C=C(/C)NC(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC001182243364 1387130260 /nfs/dbraw/zinc/13/02/60/1387130260.db2.gz DIDQNEQCZPUCHF-HZMYXVCSSA-N 1 2 336.435 3.469 20 30 EGEDLO Cc1ccc(C(=O)N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)cc1C#N ZINC001336597652 1389123749 /nfs/dbraw/zinc/12/37/49/1389123749.db2.gz AFTDGXAJRKDSIP-SFHVURJKSA-N 1 2 339.826 3.307 20 30 EGEDLO C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC2(CC2)c2ccccc21 ZINC001340627845 1390331501 /nfs/dbraw/zinc/33/15/01/1390331501.db2.gz QQRFNGZIMWVMOB-KRWDZBQOSA-N 1 2 335.455 3.414 20 30 EGEDLO C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC2(CC2)c2ccccc21 ZINC001340627845 1390331506 /nfs/dbraw/zinc/33/15/06/1390331506.db2.gz QQRFNGZIMWVMOB-KRWDZBQOSA-N 1 2 335.455 3.414 20 30 EGEDLO Cc1ccc(N[NH+]=Cc2cnc(N3CCOCC3)s2)cc1Cl ZINC001341143740 1390447512 /nfs/dbraw/zinc/44/75/12/1390447512.db2.gz CPUWXYGXBFSHSW-UHFFFAOYSA-N 1 2 336.848 3.388 20 30 EGEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(CC)C[C@H](C)CC ZINC001342022032 1390562553 /nfs/dbraw/zinc/56/25/53/1390562553.db2.gz XDUJEIXGBFUHLL-IAGOWNOFSA-N 1 2 349.523 3.118 20 30 EGEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(CC)C[C@H](C)CC ZINC001342022032 1390562555 /nfs/dbraw/zinc/56/25/55/1390562555.db2.gz XDUJEIXGBFUHLL-IAGOWNOFSA-N 1 2 349.523 3.118 20 30 EGEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCCC(F)(F)CC1 ZINC001342099212 1390571785 /nfs/dbraw/zinc/57/17/85/1390571785.db2.gz FLFVUDAJDIJWAG-UHFFFAOYSA-N 1 2 339.434 3.076 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC2(CCC2)C1 ZINC001342327357 1390601185 /nfs/dbraw/zinc/60/11/85/1390601185.db2.gz AVDFBHGWIRXDCR-INIZCTEOSA-N 1 2 329.492 3.391 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC2(CCC2)C1 ZINC001342327357 1390601188 /nfs/dbraw/zinc/60/11/88/1390601188.db2.gz AVDFBHGWIRXDCR-INIZCTEOSA-N 1 2 329.492 3.391 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC(OC(C)C)CC1 ZINC001343555179 1390722405 /nfs/dbraw/zinc/72/24/05/1390722405.db2.gz WPUNFLCVKZBELU-QGZVFWFLSA-N 1 2 347.507 3.015 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC(OC(C)C)CC1 ZINC001343555179 1390722407 /nfs/dbraw/zinc/72/24/07/1390722407.db2.gz WPUNFLCVKZBELU-QGZVFWFLSA-N 1 2 347.507 3.015 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@@H](CCC)C1 ZINC001343926993 1390744846 /nfs/dbraw/zinc/74/48/46/1390744846.db2.gz FKRCSNCCEVQAMB-IRXDYDNUSA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCO[C@@H](CCC)C1 ZINC001343926993 1390744847 /nfs/dbraw/zinc/74/48/47/1390744847.db2.gz FKRCSNCCEVQAMB-IRXDYDNUSA-N 1 2 347.507 3.016 20 30 EGEDLO CCn1ccnc1C(C#N)=C(O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001345646673 1390871863 /nfs/dbraw/zinc/87/18/63/1390871863.db2.gz MNTOWPXKCJHLNY-SFHVURJKSA-N 1 2 336.439 3.379 20 30 EGEDLO C=CCC[C@@H]1CCCN1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC001347216482 1391029710 /nfs/dbraw/zinc/02/97/10/1391029710.db2.gz OLEDDSRJCWKSTG-QGZVFWFLSA-N 1 2 326.444 3.325 20 30 EGEDLO CC(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](CC#N)C1 ZINC001347415088 1391072072 /nfs/dbraw/zinc/07/20/72/1391072072.db2.gz ZPQJCARGJGTZCY-IRXDYDNUSA-N 1 2 344.507 3.221 20 30 EGEDLO CC(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](CC#N)C1 ZINC001347415088 1391072077 /nfs/dbraw/zinc/07/20/77/1391072077.db2.gz ZPQJCARGJGTZCY-IRXDYDNUSA-N 1 2 344.507 3.221 20 30 EGEDLO CC[NH+](CC)Cc1csc(NC(=O)CCc2ccc(C#N)cc2)n1 ZINC001350431906 1391463774 /nfs/dbraw/zinc/46/37/74/1391463774.db2.gz LGQYIJPLAPTNEU-UHFFFAOYSA-N 1 2 342.468 3.428 20 30 EGEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(CC(C)C)C(C)C ZINC001351545969 1391650708 /nfs/dbraw/zinc/65/07/08/1391650708.db2.gz YOUZQDKUIVMDDH-KRWDZBQOSA-N 1 2 349.523 3.117 20 30 EGEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(CC(C)C)C(C)C ZINC001351545969 1391650710 /nfs/dbraw/zinc/65/07/10/1391650710.db2.gz YOUZQDKUIVMDDH-KRWDZBQOSA-N 1 2 349.523 3.117 20 30 EGEDLO N#Cc1csc(C(=O)N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)c1 ZINC001353765740 1392083833 /nfs/dbraw/zinc/08/38/33/1392083833.db2.gz HLBJWZHDWAENQJ-CQSZACIVSA-N 1 2 331.828 3.060 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001479902264 1392469782 /nfs/dbraw/zinc/46/97/82/1392469782.db2.gz FGECIUYDZDXBTB-OAHLLOKOSA-N 1 2 336.838 3.363 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001479902264 1392469783 /nfs/dbraw/zinc/46/97/83/1392469783.db2.gz FGECIUYDZDXBTB-OAHLLOKOSA-N 1 2 336.838 3.363 20 30 EGEDLO C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)c1cccc2nc(C)[nH]c21 ZINC001698873349 1406594559 /nfs/dbraw/zinc/59/45/59/1406594559.db2.gz CQIMIGBSXZRBST-CQSZACIVSA-N 1 2 348.878 3.358 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H](CC)SC)CC1 ZINC001483964654 1395165697 /nfs/dbraw/zinc/16/56/97/1395165697.db2.gz JXKFOGAZYUOEEV-GFCCVEGCSA-N 1 2 349.338 3.007 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)CCCC1CC1 ZINC001493129316 1396336776 /nfs/dbraw/zinc/33/67/76/1396336776.db2.gz LFKNIHIHKVFYIZ-CQSZACIVSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)CCCC1CC1 ZINC001493129316 1396336777 /nfs/dbraw/zinc/33/67/77/1396336777.db2.gz LFKNIHIHKVFYIZ-CQSZACIVSA-N 1 2 329.282 3.056 20 30 EGEDLO Cc1cccc(C(=O)N(C)CC[N@H+](C)Cc2ccccc2C#N)c1C ZINC001699002970 1406819219 /nfs/dbraw/zinc/81/92/19/1406819219.db2.gz OYXFCEOLFPLKHG-UHFFFAOYSA-N 1 2 335.451 3.379 20 30 EGEDLO Cc1cccc(C(=O)N(C)CC[N@@H+](C)Cc2ccccc2C#N)c1C ZINC001699002970 1406819225 /nfs/dbraw/zinc/81/92/25/1406819225.db2.gz OYXFCEOLFPLKHG-UHFFFAOYSA-N 1 2 335.451 3.379 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1cccc(OC(C)C)c1 ZINC001498467450 1397017727 /nfs/dbraw/zinc/01/77/27/1397017727.db2.gz YSLQDLHQMVRQAH-HNNXBMFYSA-N 1 2 338.879 3.205 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1cccc(OC(C)C)c1 ZINC001498467450 1397017729 /nfs/dbraw/zinc/01/77/29/1397017729.db2.gz YSLQDLHQMVRQAH-HNNXBMFYSA-N 1 2 338.879 3.205 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1csc(CC(C)C)n1 ZINC001498466524 1397019218 /nfs/dbraw/zinc/01/92/18/1397019218.db2.gz UWXFZWFJTMMCBG-GFCCVEGCSA-N 1 2 329.897 3.144 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1csc(CC(C)C)n1 ZINC001498466524 1397019221 /nfs/dbraw/zinc/01/92/21/1397019221.db2.gz UWXFZWFJTMMCBG-GFCCVEGCSA-N 1 2 329.897 3.144 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC001690968335 1404875124 /nfs/dbraw/zinc/87/51/24/1404875124.db2.gz SEUUMQUFVRIAIX-UHFFFAOYSA-N 1 2 326.227 3.235 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC001690968335 1404875130 /nfs/dbraw/zinc/87/51/30/1404875130.db2.gz SEUUMQUFVRIAIX-UHFFFAOYSA-N 1 2 326.227 3.235 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)CCCC1CC1 ZINC001691396033 1405233711 /nfs/dbraw/zinc/23/37/11/1405233711.db2.gz SYJXPCBPNSLBAF-LJQANCHMSA-N 1 2 325.456 3.171 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)CCCC1CC1 ZINC001691396033 1405233715 /nfs/dbraw/zinc/23/37/15/1405233715.db2.gz SYJXPCBPNSLBAF-LJQANCHMSA-N 1 2 325.456 3.171 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2ccc3nccn3c2)C1 ZINC001691867363 1405588792 /nfs/dbraw/zinc/58/87/92/1405588792.db2.gz SFKNIADTYHSGHT-MRXNPFEDSA-N 1 2 346.862 3.013 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccc3nccn3c2)C1 ZINC001691867363 1405588795 /nfs/dbraw/zinc/58/87/95/1405588795.db2.gz SFKNIADTYHSGHT-MRXNPFEDSA-N 1 2 346.862 3.013 20 30 EGEDLO C[C@H](C#N)C(=O)NCC1C[NH+]([C@@H](C)c2cc(Cl)ccc2Cl)C1 ZINC001692290743 1405922520 /nfs/dbraw/zinc/92/25/20/1405922520.db2.gz HCQASCUURDQTQT-MNOVXSKESA-N 1 2 340.254 3.262 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cc3occc3[nH]2)C1 ZINC001732040438 1428268527 /nfs/dbraw/zinc/26/85/27/1428268527.db2.gz YLLMXUUXZXIYIL-CYBMUJFWSA-N 1 2 335.835 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cc3occc3[nH]2)C1 ZINC001732040438 1428268530 /nfs/dbraw/zinc/26/85/30/1428268530.db2.gz YLLMXUUXZXIYIL-CYBMUJFWSA-N 1 2 335.835 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2ccnc(C3CC3)n2)C1 ZINC001732074777 1428325730 /nfs/dbraw/zinc/32/57/30/1428325730.db2.gz KZFLDUQYJJNTEW-OAHLLOKOSA-N 1 2 348.878 3.033 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccnc(C3CC3)n2)C1 ZINC001732074777 1428325733 /nfs/dbraw/zinc/32/57/33/1428325733.db2.gz KZFLDUQYJJNTEW-OAHLLOKOSA-N 1 2 348.878 3.033 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccc(F)cc1Cl)C1CC1 ZINC001714677640 1419470047 /nfs/dbraw/zinc/47/00/47/1419470047.db2.gz ZRORUCJRVGAZLI-UHFFFAOYSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccc(F)cc1Cl)C1CC1 ZINC001714677640 1419470049 /nfs/dbraw/zinc/47/00/49/1419470049.db2.gz ZRORUCJRVGAZLI-UHFFFAOYSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)Cc2cccs2)C1 ZINC001714852841 1419565634 /nfs/dbraw/zinc/56/56/34/1419565634.db2.gz KZAVCBQJNSVHPE-AWEZNQCLSA-N 1 2 326.893 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)Cc2cccs2)C1 ZINC001714852841 1419565635 /nfs/dbraw/zinc/56/56/35/1419565635.db2.gz KZAVCBQJNSVHPE-AWEZNQCLSA-N 1 2 326.893 3.356 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)Cc2cccs2)C1 ZINC001714852842 1419565824 /nfs/dbraw/zinc/56/58/24/1419565824.db2.gz KZAVCBQJNSVHPE-CQSZACIVSA-N 1 2 326.893 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)Cc2cccs2)C1 ZINC001714852842 1419565828 /nfs/dbraw/zinc/56/58/28/1419565828.db2.gz KZAVCBQJNSVHPE-CQSZACIVSA-N 1 2 326.893 3.356 20 30 EGEDLO C[C@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F)C(C)(C)C ZINC001715520712 1420206935 /nfs/dbraw/zinc/20/69/35/1420206935.db2.gz BLGITRHECFIULL-CQSZACIVSA-N 1 2 333.451 3.270 20 30 EGEDLO C[C@H](C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(C)(C)C ZINC001715520712 1420206939 /nfs/dbraw/zinc/20/69/39/1420206939.db2.gz BLGITRHECFIULL-CQSZACIVSA-N 1 2 333.451 3.270 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C2(CC)CC2)C[C@@H]1C ZINC001724995049 1425400143 /nfs/dbraw/zinc/40/01/43/1425400143.db2.gz JFKFICQOAGPRNQ-QWHCGFSZSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C2(CC)CC2)C[C@@H]1C ZINC001724995049 1425400145 /nfs/dbraw/zinc/40/01/45/1425400145.db2.gz JFKFICQOAGPRNQ-QWHCGFSZSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cc1csc(C(C)(C)C)n1 ZINC001731810740 1427992001 /nfs/dbraw/zinc/99/20/01/1427992001.db2.gz AKRGKVFBHCEUKB-UHFFFAOYSA-N 1 2 343.924 3.174 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cc1csc(C(C)(C)C)n1 ZINC001731810740 1427992004 /nfs/dbraw/zinc/99/20/04/1427992004.db2.gz AKRGKVFBHCEUKB-UHFFFAOYSA-N 1 2 343.924 3.174 20 30 EGEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)CC1CCCC1 ZINC001731862882 1428105456 /nfs/dbraw/zinc/10/54/56/1428105456.db2.gz UGQVOCDKLCDTHH-UHFFFAOYSA-N 1 2 331.298 3.304 20 30 EGEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)CC1CCCC1 ZINC001731862882 1428105459 /nfs/dbraw/zinc/10/54/59/1428105459.db2.gz UGQVOCDKLCDTHH-UHFFFAOYSA-N 1 2 331.298 3.304 20 30 EGEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)c1ccc(Cl)o1)C1CC1 ZINC001731871582 1428129393 /nfs/dbraw/zinc/12/93/93/1428129393.db2.gz CEWMZOCJECKNBU-UHFFFAOYSA-N 1 2 343.814 3.199 20 30 EGEDLO N#Cc1ccccc1C[N@H+](CCNC(=O)c1ccc(Cl)o1)C1CC1 ZINC001731871582 1428129394 /nfs/dbraw/zinc/12/93/94/1428129394.db2.gz CEWMZOCJECKNBU-UHFFFAOYSA-N 1 2 343.814 3.199 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1F ZINC001752816083 1440218228 /nfs/dbraw/zinc/21/82/28/1440218228.db2.gz KYAMJELDAZGGCA-WFASDCNBSA-N 1 2 337.826 3.109 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1F ZINC001752816083 1440218229 /nfs/dbraw/zinc/21/82/29/1440218229.db2.gz KYAMJELDAZGGCA-WFASDCNBSA-N 1 2 337.826 3.109 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@H](C)[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC001752906303 1440244260 /nfs/dbraw/zinc/24/42/60/1440244260.db2.gz JWOFVWQNPVEJHC-STQMWFEESA-N 1 2 336.480 3.125 20 30 EGEDLO C=CCC1(C(=O)NC[C@H](C)[NH2+][C@H](C)c2nnc(CC)o2)CCCCC1 ZINC001752921558 1440248789 /nfs/dbraw/zinc/24/87/89/1440248789.db2.gz UEHGQMRVQLSZPQ-LSDHHAIUSA-N 1 2 348.491 3.314 20 30 EGEDLO C[N@H+](CCNC(=O)[C@H]1CCC=CCCC1)Cc1ccccc1C#N ZINC001753053751 1440280406 /nfs/dbraw/zinc/28/04/06/1440280406.db2.gz RWRRUJPHOACTAY-KRWDZBQOSA-N 1 2 325.456 3.243 20 30 EGEDLO C[N@@H+](CCNC(=O)[C@H]1CCC=CCCC1)Cc1ccccc1C#N ZINC001753053751 1440280407 /nfs/dbraw/zinc/28/04/07/1440280407.db2.gz RWRRUJPHOACTAY-KRWDZBQOSA-N 1 2 325.456 3.243 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1csc(CCC)n1 ZINC001753108084 1440307091 /nfs/dbraw/zinc/30/70/91/1440307091.db2.gz HYVIYEPSVJYRJF-KRWDZBQOSA-N 1 2 347.528 3.370 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1csc(CCC)n1 ZINC001753108084 1440307092 /nfs/dbraw/zinc/30/70/92/1440307092.db2.gz HYVIYEPSVJYRJF-KRWDZBQOSA-N 1 2 347.528 3.370 20 30 EGEDLO C=CCC1(C(=O)NCC[N@H+](Cc2ccns2)C2CC2)CCCC1 ZINC001753164658 1440335454 /nfs/dbraw/zinc/33/54/54/1440335454.db2.gz CAZUZCUPQDNONN-UHFFFAOYSA-N 1 2 333.501 3.360 20 30 EGEDLO C=CCC1(C(=O)NCC[N@@H+](Cc2ccns2)C2CC2)CCCC1 ZINC001753164658 1440335455 /nfs/dbraw/zinc/33/54/55/1440335455.db2.gz CAZUZCUPQDNONN-UHFFFAOYSA-N 1 2 333.501 3.360 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC1C[NH+](CCCOc2ccc(C)c(C)c2)C1 ZINC001753386927 1440388555 /nfs/dbraw/zinc/38/85/55/1440388555.db2.gz MRDZNZILLPFCPD-NRFANRHFSA-N 1 2 344.499 3.475 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CC[C@H]2CC(C)(C)CO2)C1 ZINC001753461976 1440411291 /nfs/dbraw/zinc/41/12/91/1440411291.db2.gz PZIQNFVFWLSJLW-CVEARBPZSA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CC[C@H]2CC(C)(C)CO2)C1 ZINC001753461976 1440411292 /nfs/dbraw/zinc/41/12/92/1440411292.db2.gz PZIQNFVFWLSJLW-CVEARBPZSA-N 1 2 342.911 3.257 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](CC)[NH2+][C@H](C)c2nc(C)no2)CCCC1 ZINC001753497676 1440422303 /nfs/dbraw/zinc/42/23/03/1440422303.db2.gz JCLMPLVHWDOWFS-UKRRQHHQSA-N 1 2 334.464 3.060 20 30 EGEDLO Cc1ccccc1C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001753847773 1440505309 /nfs/dbraw/zinc/50/53/09/1440505309.db2.gz GIOAGYRDWXQOJV-UHFFFAOYSA-N 1 2 339.414 3.210 20 30 EGEDLO Cc1ccccc1C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001753847773 1440505310 /nfs/dbraw/zinc/50/53/10/1440505310.db2.gz GIOAGYRDWXQOJV-UHFFFAOYSA-N 1 2 339.414 3.210 20 30 EGEDLO C[C@H](C(=O)N(C)CC[N@H+](C)Cc1cc(F)ccc1C#N)C(C)(C)C ZINC001753857412 1440509609 /nfs/dbraw/zinc/50/96/09/1440509609.db2.gz OFDIPUHHSWCQBQ-CQSZACIVSA-N 1 2 333.451 3.270 20 30 EGEDLO C[C@H](C(=O)N(C)CC[N@@H+](C)Cc1cc(F)ccc1C#N)C(C)(C)C ZINC001753857412 1440509610 /nfs/dbraw/zinc/50/96/10/1440509610.db2.gz OFDIPUHHSWCQBQ-CQSZACIVSA-N 1 2 333.451 3.270 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)C1(C2CCC2)CCC1 ZINC001753858621 1440510223 /nfs/dbraw/zinc/51/02/23/1440510223.db2.gz JEUDOTMKCKMHTE-UHFFFAOYSA-N 1 2 339.483 3.419 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)C1(C2CCC2)CCC1 ZINC001753858621 1440510224 /nfs/dbraw/zinc/51/02/24/1440510224.db2.gz JEUDOTMKCKMHTE-UHFFFAOYSA-N 1 2 339.483 3.419 20 30 EGEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@H]1CCC1(C)C ZINC001753861096 1440511448 /nfs/dbraw/zinc/51/14/48/1440511448.db2.gz TWJYPLPETKKCQM-MRXNPFEDSA-N 1 2 331.435 3.024 20 30 EGEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@H]1CCC1(C)C ZINC001753861096 1440511449 /nfs/dbraw/zinc/51/14/49/1440511449.db2.gz TWJYPLPETKKCQM-MRXNPFEDSA-N 1 2 331.435 3.024 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N(C)C1C[NH+](CCOc2cc(C)ccc2C)C1 ZINC001754580939 1440638642 /nfs/dbraw/zinc/63/86/42/1440638642.db2.gz SJMPIRPOQWCWPX-OAQYLSRUSA-N 1 2 344.499 3.427 20 30 EGEDLO CC#CCCCC(=O)N[C@@]1(C)CC[N@H+](Cc2ncoc2C(C)C)C1 ZINC001754678953 1440661428 /nfs/dbraw/zinc/66/14/28/1440661428.db2.gz XASHWRZSIYYWGN-IBGZPJMESA-N 1 2 331.460 3.072 20 30 EGEDLO CC#CCCCC(=O)N[C@@]1(C)CC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001754678953 1440661429 /nfs/dbraw/zinc/66/14/29/1440661429.db2.gz XASHWRZSIYYWGN-IBGZPJMESA-N 1 2 331.460 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001754682951 1440663416 /nfs/dbraw/zinc/66/34/16/1440663416.db2.gz PTXMZDXJQMCWJK-SJKOYZFVSA-N 1 2 342.817 3.401 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001754682951 1440663417 /nfs/dbraw/zinc/66/34/17/1440663417.db2.gz PTXMZDXJQMCWJK-SJKOYZFVSA-N 1 2 342.817 3.401 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](C)CC)C1 ZINC001754723175 1440674295 /nfs/dbraw/zinc/67/42/95/1440674295.db2.gz HQMOBGSEAIKLGP-SWLSCSKDSA-N 1 2 331.298 3.159 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C)CC)C1 ZINC001754723175 1440674296 /nfs/dbraw/zinc/67/42/96/1440674296.db2.gz HQMOBGSEAIKLGP-SWLSCSKDSA-N 1 2 331.298 3.159 20 30 EGEDLO C=CCCCC(=O)NC[C@@]1(C)CCC[N@@H+]([C@H](C)c2nc(CC)no2)C1 ZINC001754729616 1440678434 /nfs/dbraw/zinc/67/84/34/1440678434.db2.gz NQJNCYFCVGBHKG-DNVCBOLYSA-N 1 2 348.491 3.268 20 30 EGEDLO C=CCCCC(=O)NC[C@@]1(C)CCC[N@H+]([C@H](C)c2nc(CC)no2)C1 ZINC001754729616 1440678435 /nfs/dbraw/zinc/67/84/35/1440678435.db2.gz NQJNCYFCVGBHKG-DNVCBOLYSA-N 1 2 348.491 3.268 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H]2C[N@@H+](Cc3nnc(C(C)C)s3)C[C@H]21 ZINC001754871233 1440705073 /nfs/dbraw/zinc/70/50/73/1440705073.db2.gz SBUXASJEIIGNMB-LSDHHAIUSA-N 1 2 348.516 3.051 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H]2C[N@H+](Cc3nnc(C(C)C)s3)C[C@H]21 ZINC001754871233 1440705074 /nfs/dbraw/zinc/70/50/74/1440705074.db2.gz SBUXASJEIIGNMB-LSDHHAIUSA-N 1 2 348.516 3.051 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nc(C)sc1C ZINC001755192000 1440775087 /nfs/dbraw/zinc/77/50/87/1440775087.db2.gz XQABSIZZXCVWJR-KRWDZBQOSA-N 1 2 347.528 3.376 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@H]1C[N@H+](C)Cc1nc(C)sc1C ZINC001755192000 1440775088 /nfs/dbraw/zinc/77/50/88/1440775088.db2.gz XQABSIZZXCVWJR-KRWDZBQOSA-N 1 2 347.528 3.376 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nc(C)sc1C ZINC001755192001 1440775132 /nfs/dbraw/zinc/77/51/32/1440775132.db2.gz XQABSIZZXCVWJR-QGZVFWFLSA-N 1 2 347.528 3.376 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nc(C)sc1C ZINC001755192001 1440775133 /nfs/dbraw/zinc/77/51/33/1440775133.db2.gz XQABSIZZXCVWJR-QGZVFWFLSA-N 1 2 347.528 3.376 20 30 EGEDLO C[C@@H](CNC(=O)[C@@H]1C[C@H]1C(C)(C)C)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001755307968 1440811890 /nfs/dbraw/zinc/81/18/90/1440811890.db2.gz PONFFURRCGAVSN-MORSLUCNSA-N 1 2 345.462 3.316 20 30 EGEDLO C[C@@H](CNC(=O)[C@@H]1C[C@H]1C(C)(C)C)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001755307968 1440811891 /nfs/dbraw/zinc/81/18/91/1440811891.db2.gz PONFFURRCGAVSN-MORSLUCNSA-N 1 2 345.462 3.316 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1sc(CC2CC2)nc1C ZINC001755321722 1440819002 /nfs/dbraw/zinc/81/90/02/1440819002.db2.gz SKAGUUMMXCYLBH-NSHDSACASA-N 1 2 341.908 3.207 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1sc(CC2CC2)nc1C ZINC001755321722 1440819003 /nfs/dbraw/zinc/81/90/03/1440819003.db2.gz SKAGUUMMXCYLBH-NSHDSACASA-N 1 2 341.908 3.207 20 30 EGEDLO CCCCCC(=O)N[C@@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001755371500 1440837277 /nfs/dbraw/zinc/83/72/77/1440837277.db2.gz XQYISARRHGBWDZ-AWEZNQCLSA-N 1 2 331.435 3.214 20 30 EGEDLO CC(C)C(C)(C)C(=O)N[C@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001755377127 1440838497 /nfs/dbraw/zinc/83/84/97/1440838497.db2.gz QDFOVCFNXFUOFC-CQSZACIVSA-N 1 2 345.462 3.316 20 30 EGEDLO C[C@@H](CC(=O)N[C@@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1)C1CC1 ZINC001755390793 1440842066 /nfs/dbraw/zinc/84/20/66/1440842066.db2.gz BGTBFOYTBBABEC-KBPBESRZSA-N 1 2 343.446 3.070 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@]2(C1)C[N@H+](Cc1csc(C)c1)CCO2 ZINC001755402265 1440843170 /nfs/dbraw/zinc/84/31/70/1440843170.db2.gz PAIJNMGNGVMEJP-IBGZPJMESA-N 1 2 348.512 3.216 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1csc(C)c1)CCO2 ZINC001755402265 1440843171 /nfs/dbraw/zinc/84/31/71/1440843171.db2.gz PAIJNMGNGVMEJP-IBGZPJMESA-N 1 2 348.512 3.216 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1cscn1)CC2 ZINC001755700388 1440899744 /nfs/dbraw/zinc/89/97/44/1440899744.db2.gz DTKONZBERJGGSO-MAUKXSAKSA-N 1 2 333.501 3.359 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@]12CCC[C@@H]1[N@@H+](Cc1cscn1)CC2 ZINC001755700388 1440899745 /nfs/dbraw/zinc/89/97/45/1440899745.db2.gz DTKONZBERJGGSO-MAUKXSAKSA-N 1 2 333.501 3.359 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H](C)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001756482265 1441022825 /nfs/dbraw/zinc/02/28/25/1441022825.db2.gz PLIVVTPMRUMVFF-ZBFHGGJFSA-N 1 2 345.487 3.186 20 30 EGEDLO Cc1ccc([C@H](CNc2cccc(F)c2C#N)[NH+]2CCOCC2)cc1 ZINC000052488408 214130651 /nfs/dbraw/zinc/13/06/51/214130651.db2.gz YMZXHFOBYVIPEX-FQEVSTJZSA-N 1 2 339.414 3.491 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000079515734 217236756 /nfs/dbraw/zinc/23/67/56/217236756.db2.gz RSAARQAXVDTGST-UHFFFAOYSA-N 1 2 335.498 3.310 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCSC2(CCCCC2)C1 ZINC000079515734 217236760 /nfs/dbraw/zinc/23/67/60/217236760.db2.gz RSAARQAXVDTGST-UHFFFAOYSA-N 1 2 335.498 3.310 20 30 EGEDLO Cc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)Nc1sccc1C#N)CCC2 ZINC000111313360 220137309 /nfs/dbraw/zinc/13/73/09/220137309.db2.gz DPONUEWDIKXBCX-ZDUSSCGKSA-N 1 2 346.481 3.333 20 30 EGEDLO Cc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)Nc1sccc1C#N)CCC2 ZINC000111313360 220137311 /nfs/dbraw/zinc/13/73/11/220137311.db2.gz DPONUEWDIKXBCX-ZDUSSCGKSA-N 1 2 346.481 3.333 20 30 EGEDLO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1c(F)cccc1F ZINC000265240752 247329545 /nfs/dbraw/zinc/32/95/45/247329545.db2.gz WJMZTQGIYORUEE-SJKOYZFVSA-N 1 2 341.361 3.293 20 30 EGEDLO CC(C)(C)OC(=O)CCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000376857804 168957036 /nfs/dbraw/zinc/95/70/36/168957036.db2.gz MWXFRXUBYZNSHG-KRWDZBQOSA-N 1 2 330.428 3.053 20 30 EGEDLO CC(C)(C)OC(=O)CCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000376857804 168957038 /nfs/dbraw/zinc/95/70/38/168957038.db2.gz MWXFRXUBYZNSHG-KRWDZBQOSA-N 1 2 330.428 3.053 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000268673931 252127159 /nfs/dbraw/zinc/12/71/59/252127159.db2.gz KUEQOKVUYQUGQL-AZUAARDMSA-N 1 2 340.398 3.022 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000268673931 252127162 /nfs/dbraw/zinc/12/71/62/252127162.db2.gz KUEQOKVUYQUGQL-AZUAARDMSA-N 1 2 340.398 3.022 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)c(F)c1 ZINC000268705641 252155769 /nfs/dbraw/zinc/15/57/69/252155769.db2.gz SFVOBYKHHLZRDI-ICSRJNTNSA-N 1 2 340.398 3.022 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)c(F)c1 ZINC000268705641 252155775 /nfs/dbraw/zinc/15/57/75/252155775.db2.gz SFVOBYKHHLZRDI-ICSRJNTNSA-N 1 2 340.398 3.022 20 30 EGEDLO CNC(=O)c1ccc([C@@H]2CCCC[N@@H+]2Cc2cc(C#N)cs2)n1C ZINC000328648081 258021168 /nfs/dbraw/zinc/02/11/68/258021168.db2.gz UKFYYFMCQZFHQL-INIZCTEOSA-N 1 2 342.468 3.045 20 30 EGEDLO CNC(=O)c1ccc([C@@H]2CCCC[N@H+]2Cc2cc(C#N)cs2)n1C ZINC000328648081 258021170 /nfs/dbraw/zinc/02/11/70/258021170.db2.gz UKFYYFMCQZFHQL-INIZCTEOSA-N 1 2 342.468 3.045 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000155071760 533365721 /nfs/dbraw/zinc/36/57/21/533365721.db2.gz UFZJQBRWVKCPAO-PMACEKPBSA-N 1 2 349.434 3.349 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000155071760 533365727 /nfs/dbraw/zinc/36/57/27/533365727.db2.gz UFZJQBRWVKCPAO-PMACEKPBSA-N 1 2 349.434 3.349 20 30 EGEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(C#N)cc1 ZINC000338362595 141107538 /nfs/dbraw/zinc/10/75/38/141107538.db2.gz QTUVTKHOEVLSHV-LBPRGKRZSA-N 1 2 349.350 3.367 20 30 EGEDLO Cn1cc([C@H]([NH2+]Cc2cc(C#N)ccc2F)c2ccc(F)cc2)cn1 ZINC000184593885 144095845 /nfs/dbraw/zinc/09/58/45/144095845.db2.gz MEBNNXODUUYUSU-LJQANCHMSA-N 1 2 338.361 3.449 20 30 EGEDLO N#Cc1ccc(CSCC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000120751561 152298713 /nfs/dbraw/zinc/29/87/13/152298713.db2.gz KYECPLJFXVXMKE-MRXNPFEDSA-N 1 2 340.452 3.268 20 30 EGEDLO CCOc1ccccc1[C@@H](CC)[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000341614208 155384033 /nfs/dbraw/zinc/38/40/33/155384033.db2.gz BBIPRTWOAYBJMX-IEBWSBKVSA-N 1 2 337.423 3.224 20 30 EGEDLO Cc1nsc(NC[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)c1C#N ZINC000339970834 155056728 /nfs/dbraw/zinc/05/67/28/155056728.db2.gz UXDMLSJJUVVLJF-KRWDZBQOSA-N 1 2 342.468 3.117 20 30 EGEDLO C[C@@H](C(=O)Nc1nccs1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000372415192 157325034 /nfs/dbraw/zinc/32/50/34/157325034.db2.gz DNDIGEGDBLBBLV-ZDUSSCGKSA-N 1 2 338.436 3.131 20 30 EGEDLO C[C@@H](C(=O)Nc1nccs1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000372415192 157325038 /nfs/dbraw/zinc/32/50/38/157325038.db2.gz DNDIGEGDBLBBLV-ZDUSSCGKSA-N 1 2 338.436 3.131 20 30 EGEDLO N#Cc1c(F)cccc1Oc1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000114335457 162227907 /nfs/dbraw/zinc/22/79/07/162227907.db2.gz CHINIADDOQWRQQ-UHFFFAOYSA-N 1 2 336.326 3.143 20 30 EGEDLO C[NH+](C)Cc1cc(NS(=O)(=O)c2cccc(C#N)c2)ccc1Cl ZINC000337247611 163179547 /nfs/dbraw/zinc/17/95/47/163179547.db2.gz KMLMFXHQVFFQCN-UHFFFAOYSA-N 1 2 349.843 3.074 20 30 EGEDLO COCCOc1ccc(C#N)cc1NCc1c[nH+]c2cccc(C)n12 ZINC000344311126 164152870 /nfs/dbraw/zinc/15/28/70/164152870.db2.gz WHVYICNHBIZOHX-UHFFFAOYSA-N 1 2 336.395 3.152 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)Cc1c(F)cccc1C#N ZINC000355651001 166273366 /nfs/dbraw/zinc/27/33/66/166273366.db2.gz CKDLAGGWESBWQH-KRWDZBQOSA-N 1 2 340.402 3.210 20 30 EGEDLO C[NH+](C)[C@H](CNc1nc2c(cc1C#N)CCC2)c1c(F)cccc1F ZINC000360266087 167285768 /nfs/dbraw/zinc/28/57/68/167285768.db2.gz OLIUTGQVDVMKKY-QGZVFWFLSA-N 1 2 342.393 3.435 20 30 EGEDLO Cc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)cc1C#N ZINC000366940802 168159452 /nfs/dbraw/zinc/15/94/52/168159452.db2.gz LOQRCSXIDCHOHN-SFHVURJKSA-N 1 2 348.381 3.259 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000416112277 269969314 /nfs/dbraw/zinc/96/93/14/269969314.db2.gz VOZRNQPMKQDYLD-KRWDZBQOSA-N 1 2 347.409 3.029 20 30 EGEDLO N#Cc1cnc2ccc(OC(F)F)cc2c1NCCn1cc[nH+]c1 ZINC000302160065 270044357 /nfs/dbraw/zinc/04/43/57/270044357.db2.gz XWOJUNWXZHJJDR-UHFFFAOYSA-N 1 2 329.310 3.016 20 30 EGEDLO CCC[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000478185864 270055530 /nfs/dbraw/zinc/05/55/30/270055530.db2.gz YRFUGSCVXSIEJP-IBGZPJMESA-N 1 2 327.472 3.275 20 30 EGEDLO CCC[C@@]1(CO)CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000288731657 266074847 /nfs/dbraw/zinc/07/48/47/266074847.db2.gz GQOKEKSFZYQXQX-MRXNPFEDSA-N 1 2 337.261 3.305 20 30 EGEDLO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000288731657 266074852 /nfs/dbraw/zinc/07/48/52/266074852.db2.gz GQOKEKSFZYQXQX-MRXNPFEDSA-N 1 2 337.261 3.305 20 30 EGEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000524014024 267014457 /nfs/dbraw/zinc/01/44/57/267014457.db2.gz DUFYLEPJHPIZCD-UHFFFAOYSA-N 1 2 346.434 3.496 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000329811560 267143736 /nfs/dbraw/zinc/14/37/36/267143736.db2.gz CTDZOYRFYYEUPZ-XYPHTWIQSA-N 1 2 327.428 3.424 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000329811560 267143740 /nfs/dbraw/zinc/14/37/40/267143740.db2.gz CTDZOYRFYYEUPZ-XYPHTWIQSA-N 1 2 327.428 3.424 20 30 EGEDLO C[C@H](O[NH+]=C(N)c1ccc(N2CCCCC2)nc1)c1ccc(C#N)cc1 ZINC000194627867 267195318 /nfs/dbraw/zinc/19/53/18/267195318.db2.gz VOPCCLLZSSWTGK-HNNXBMFYSA-N 1 2 349.438 3.342 20 30 EGEDLO C[C@@H](c1nccs1)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000274332616 267219531 /nfs/dbraw/zinc/21/95/31/267219531.db2.gz WQUGQCMCWQTOBV-AWEZNQCLSA-N 1 2 349.463 3.446 20 30 EGEDLO Cc1cc(NC2CCC(Oc3ccc(C#N)cn3)CC2)nc(C2CC2)[nH+]1 ZINC000328996661 267299710 /nfs/dbraw/zinc/29/97/10/267299710.db2.gz JZUGQELEROGBIE-UHFFFAOYSA-N 1 2 349.438 3.153 20 30 EGEDLO Cc1cc(CNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)cc(C)[nH+]1 ZINC000420860337 267995502 /nfs/dbraw/zinc/99/55/02/267995502.db2.gz MLAVJNCLEGLCGS-IBGZPJMESA-N 1 2 334.423 3.447 20 30 EGEDLO N#Cc1ccc(C[N@H+](Cc2cnc(C3OCCO3)s2)C2CC2)cc1 ZINC000289239429 268064077 /nfs/dbraw/zinc/06/40/77/268064077.db2.gz ZJNXCRNGEYGQPR-UHFFFAOYSA-N 1 2 341.436 3.225 20 30 EGEDLO N#Cc1ccc(C[N@@H+](Cc2cnc(C3OCCO3)s2)C2CC2)cc1 ZINC000289239429 268064081 /nfs/dbraw/zinc/06/40/81/268064081.db2.gz ZJNXCRNGEYGQPR-UHFFFAOYSA-N 1 2 341.436 3.225 20 30 EGEDLO Cc1nn(Cc2ccccc2)c(C)c1CNc1cc(C)[nH+]cc1C#N ZINC000425207076 268093602 /nfs/dbraw/zinc/09/36/02/268093602.db2.gz YRZRAKUXXNXMHS-UHFFFAOYSA-N 1 2 331.423 3.157 20 30 EGEDLO N#Cc1cc(N2CCC[C@@H]2c2[nH]cc[nH+]2)nc2ccc([N+](=O)[O-])cc12 ZINC000443499249 268183869 /nfs/dbraw/zinc/18/38/69/268183869.db2.gz KAJSSYGRXTVNBF-OAHLLOKOSA-N 1 2 334.339 3.079 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](C/C=C/c3ccncc3)CC2)c(Cl)c1 ZINC000425975875 268234893 /nfs/dbraw/zinc/23/48/93/268234893.db2.gz DAUBIXQEKQNBSE-OWOJBTEDSA-N 1 2 338.842 3.442 20 30 EGEDLO CC1(C)C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000347574334 276134944 /nfs/dbraw/zinc/13/49/44/276134944.db2.gz BWRSULIMBUBZTD-JKSUJKDBSA-N 1 2 325.437 3.229 20 30 EGEDLO CC1(C)C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000347574334 276134946 /nfs/dbraw/zinc/13/49/46/276134946.db2.gz BWRSULIMBUBZTD-JKSUJKDBSA-N 1 2 325.437 3.229 20 30 EGEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)c2cnccc2C#N)CC1 ZINC000345426419 282076790 /nfs/dbraw/zinc/07/67/90/282076790.db2.gz GOFRVDBEOTZJIQ-UHFFFAOYSA-N 1 2 345.406 3.089 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ccc(C#N)c(Cl)c1)CCC2 ZINC000548634082 315028952 /nfs/dbraw/zinc/02/89/52/315028952.db2.gz LCPRSSZMPCIWTP-AWEZNQCLSA-N 1 2 328.803 3.024 20 30 EGEDLO N#Cc1cc(C[NH+]2CCN(c3ncccc3Cl)CC2)ccc1F ZINC000176896411 323334098 /nfs/dbraw/zinc/33/40/98/323334098.db2.gz SSLXRMJTKONGSL-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000276362346 456456982 /nfs/dbraw/zinc/45/69/82/456456982.db2.gz ZCLSGJZGLVTRRI-LBPRGKRZSA-N 1 2 340.254 3.443 20 30 EGEDLO Cn1cc[nH+]c1[C@H](Nc1ncc2c(c1C#N)CCC2)c1ccccc1 ZINC000581008023 325320256 /nfs/dbraw/zinc/32/02/56/325320256.db2.gz XXWOHXKMBBYSPY-GOSISDBHSA-N 1 2 329.407 3.377 20 30 EGEDLO Cc1c[nH+]c(C)nc1N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000582430928 325441102 /nfs/dbraw/zinc/44/11/02/325441102.db2.gz MFTXPDXDZUJVIA-OAHLLOKOSA-N 1 2 325.391 3.185 20 30 EGEDLO CC(C)(C#N)CC[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000157714584 455223838 /nfs/dbraw/zinc/22/38/38/455223838.db2.gz BFSNBBHJPDFRBE-UHFFFAOYSA-N 1 2 327.259 3.450 20 30 EGEDLO C=C(C)COc1cc(C[N@H+]2CCC[C@@H]2C(=O)OCC)ccc1OC ZINC000180764274 455241607 /nfs/dbraw/zinc/24/16/07/455241607.db2.gz VYCVPIPECGUXEY-MRXNPFEDSA-N 1 2 333.428 3.178 20 30 EGEDLO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H]2C(=O)OCC)ccc1OC ZINC000180764274 455241610 /nfs/dbraw/zinc/24/16/10/455241610.db2.gz VYCVPIPECGUXEY-MRXNPFEDSA-N 1 2 333.428 3.178 20 30 EGEDLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000008092874 453162040 /nfs/dbraw/zinc/16/20/40/453162040.db2.gz JCNPNECOMDWSDW-UHFFFAOYSA-N 1 2 343.814 3.291 20 30 EGEDLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000008092874 453162043 /nfs/dbraw/zinc/16/20/43/453162043.db2.gz JCNPNECOMDWSDW-UHFFFAOYSA-N 1 2 343.814 3.291 20 30 EGEDLO C[C@@H]([NH2+][C@@H](C)c1nccs1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000174062261 455355493 /nfs/dbraw/zinc/35/54/93/455355493.db2.gz QOFQBCSYNQOWAN-QWHCGFSZSA-N 1 2 346.431 3.268 20 30 EGEDLO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000018175753 453645935 /nfs/dbraw/zinc/64/59/35/453645935.db2.gz HZCHXVRZZRGQKA-UHFFFAOYSA-N 1 2 334.423 3.216 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1cc(OC)ccc1OC)Cc1cccs1 ZINC000019540400 453657888 /nfs/dbraw/zinc/65/78/88/453657888.db2.gz VPDNWSBDULPNCR-UHFFFAOYSA-N 1 2 346.452 3.392 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1cc(OC)ccc1OC)Cc1cccs1 ZINC000019540400 453657891 /nfs/dbraw/zinc/65/78/91/453657891.db2.gz VPDNWSBDULPNCR-UHFFFAOYSA-N 1 2 346.452 3.392 20 30 EGEDLO C=CCNC(=O)C[N@H+](Cc1cccs1)Cc1ccccc1OC ZINC000023992803 453721111 /nfs/dbraw/zinc/72/11/11/453721111.db2.gz PIGBOCYIRLDPKQ-UHFFFAOYSA-N 1 2 330.453 3.061 20 30 EGEDLO C=CCNC(=O)C[N@@H+](Cc1cccs1)Cc1ccccc1OC ZINC000023992803 453721116 /nfs/dbraw/zinc/72/11/16/453721116.db2.gz PIGBOCYIRLDPKQ-UHFFFAOYSA-N 1 2 330.453 3.061 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1cc(OC)ccc1OC)Cc1ccccc1 ZINC000027775146 453820555 /nfs/dbraw/zinc/82/05/55/453820555.db2.gz JKCGYLLLQHKOEX-UHFFFAOYSA-N 1 2 340.423 3.331 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1cc(OC)ccc1OC)Cc1ccccc1 ZINC000027775146 453820556 /nfs/dbraw/zinc/82/05/56/453820556.db2.gz JKCGYLLLQHKOEX-UHFFFAOYSA-N 1 2 340.423 3.331 20 30 EGEDLO COc1cccc(N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)c1 ZINC000030964248 453842195 /nfs/dbraw/zinc/84/21/95/453842195.db2.gz AVULXGAMZBGBAH-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO CC[N@@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)C[C@@H](C)C#N ZINC000066424860 453844156 /nfs/dbraw/zinc/84/41/56/453844156.db2.gz FAMXLMOFPZIWML-HNNXBMFYSA-N 1 2 333.451 3.434 20 30 EGEDLO CC[N@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)C[C@@H](C)C#N ZINC000066424860 453844159 /nfs/dbraw/zinc/84/41/59/453844159.db2.gz FAMXLMOFPZIWML-HNNXBMFYSA-N 1 2 333.451 3.434 20 30 EGEDLO C[C@@H]([NH2+][C@@H](C)c1nccs1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000184397412 455376841 /nfs/dbraw/zinc/37/68/41/455376841.db2.gz ILOWFQLARJTQNL-YRTQGLMCSA-N 1 2 334.489 3.113 20 30 EGEDLO COc1ccc(NC(=O)CC[N@H+](CCC#N)Cc2ccco2)cc1 ZINC000081517339 453881059 /nfs/dbraw/zinc/88/10/59/453881059.db2.gz NAIIDRXJSWLKCU-UHFFFAOYSA-N 1 2 327.384 3.033 20 30 EGEDLO COc1ccc(NC(=O)CC[N@@H+](CCC#N)Cc2ccco2)cc1 ZINC000081517339 453881064 /nfs/dbraw/zinc/88/10/64/453881064.db2.gz NAIIDRXJSWLKCU-UHFFFAOYSA-N 1 2 327.384 3.033 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCc1cccc(OC)c1)Cc1cccs1 ZINC000032775523 453889882 /nfs/dbraw/zinc/88/98/82/453889882.db2.gz RSFQQPKQHIPYMV-UHFFFAOYSA-N 1 2 330.453 3.061 20 30 EGEDLO C=CC[N@H+](CC(=O)NCc1cccc(OC)c1)Cc1cccs1 ZINC000032775523 453889886 /nfs/dbraw/zinc/88/98/86/453889886.db2.gz RSFQQPKQHIPYMV-UHFFFAOYSA-N 1 2 330.453 3.061 20 30 EGEDLO COc1ccc(C[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000075618145 453912157 /nfs/dbraw/zinc/91/21/57/453912157.db2.gz PBIBPXFIJFBYAN-UHFFFAOYSA-N 1 2 334.379 3.249 20 30 EGEDLO COc1ccc(C[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000075618145 453912159 /nfs/dbraw/zinc/91/21/59/453912159.db2.gz PBIBPXFIJFBYAN-UHFFFAOYSA-N 1 2 334.379 3.249 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000054183559 453915469 /nfs/dbraw/zinc/91/54/69/453915469.db2.gz XWFVQCLFOWPWPQ-NSHDSACASA-N 1 2 327.222 3.248 20 30 EGEDLO C=CC[N@H+](CC(=O)NCc1ccccc1C)Cc1ccc(OC)cc1 ZINC000054272223 453919799 /nfs/dbraw/zinc/91/97/99/453919799.db2.gz GIADFLBGRVDPQS-UHFFFAOYSA-N 1 2 338.451 3.308 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCc1ccccc1C)Cc1ccc(OC)cc1 ZINC000054272223 453919800 /nfs/dbraw/zinc/91/98/00/453919800.db2.gz GIADFLBGRVDPQS-UHFFFAOYSA-N 1 2 338.451 3.308 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](OCCC(C)C)C2)c(C#N)c1C ZINC000083247016 453946779 /nfs/dbraw/zinc/94/67/79/453946779.db2.gz JUOYEHDCWUAFNL-OAHLLOKOSA-N 1 2 349.500 3.312 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](OCCC(C)C)C2)c(C#N)c1C ZINC000083247016 453946783 /nfs/dbraw/zinc/94/67/83/453946783.db2.gz JUOYEHDCWUAFNL-OAHLLOKOSA-N 1 2 349.500 3.312 20 30 EGEDLO N#CCCCCNC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000083650380 453955155 /nfs/dbraw/zinc/95/51/55/453955155.db2.gz CIYJOGNIFKEQTM-UHFFFAOYSA-N 1 2 339.443 3.009 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184506835 455392153 /nfs/dbraw/zinc/39/21/53/455392153.db2.gz KZRLRWZJWUXTRF-OLZOCXBDSA-N 1 2 336.505 3.099 20 30 EGEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000245889298 455392956 /nfs/dbraw/zinc/39/29/56/455392956.db2.gz RJPWCRAEHPFKRT-QZTJIDSGSA-N 1 2 340.471 3.420 20 30 EGEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000245889298 455392960 /nfs/dbraw/zinc/39/29/60/455392960.db2.gz RJPWCRAEHPFKRT-QZTJIDSGSA-N 1 2 340.471 3.420 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000042251182 454003320 /nfs/dbraw/zinc/00/33/20/454003320.db2.gz BIKKHHDMWPECGH-INIZCTEOSA-N 1 2 349.906 3.275 20 30 EGEDLO N#Cc1ccc(NC(=O)NCC[NH+]2Cc3ccccc3C2)cc1Cl ZINC000068526531 454034119 /nfs/dbraw/zinc/03/41/19/454034119.db2.gz DAUULBGQRIRBOK-UHFFFAOYSA-N 1 2 340.814 3.349 20 30 EGEDLO C=CC[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(OC)cc1 ZINC000056291282 454049250 /nfs/dbraw/zinc/04/92/50/454049250.db2.gz MSDKIIGMTVGGNR-UHFFFAOYSA-N 1 2 341.455 3.026 20 30 EGEDLO C=CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(OC)cc1 ZINC000056291282 454049253 /nfs/dbraw/zinc/04/92/53/454049253.db2.gz MSDKIIGMTVGGNR-UHFFFAOYSA-N 1 2 341.455 3.026 20 30 EGEDLO CN(Cc1cccc(C#N)c1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056895264 454089343 /nfs/dbraw/zinc/08/93/43/454089343.db2.gz RRRYGJPDHPZJPD-UHFFFAOYSA-N 1 2 345.406 3.086 20 30 EGEDLO C=CCn1c(SCCn2cc[nH+]c2)nnc1-c1ccc(F)cc1 ZINC000159707551 455397357 /nfs/dbraw/zinc/39/73/57/455397357.db2.gz WIUHEBOOEKSUEP-UHFFFAOYSA-N 1 2 329.404 3.259 20 30 EGEDLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000184534875 455397978 /nfs/dbraw/zinc/39/79/78/455397978.db2.gz LUAMQGJDXHZEHV-ABAIWWIYSA-N 1 2 347.802 3.109 20 30 EGEDLO N#CCSCC(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000057358066 454121591 /nfs/dbraw/zinc/12/15/91/454121591.db2.gz JTRGOZDPDCTQPY-UHFFFAOYSA-N 1 2 326.425 3.082 20 30 EGEDLO N#CC1CC[NH+](CC(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000057906987 454156332 /nfs/dbraw/zinc/15/63/32/454156332.db2.gz SKRXKJGYUFQRHT-UHFFFAOYSA-N 1 2 333.435 3.451 20 30 EGEDLO N#CC[N@@H+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C1CCCC1 ZINC000130536019 454203593 /nfs/dbraw/zinc/20/35/93/454203593.db2.gz SYBYJLSCVULOOT-INIZCTEOSA-N 1 2 326.362 3.377 20 30 EGEDLO N#CC[N@H+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C1CCCC1 ZINC000130536019 454203595 /nfs/dbraw/zinc/20/35/95/454203595.db2.gz SYBYJLSCVULOOT-INIZCTEOSA-N 1 2 326.362 3.377 20 30 EGEDLO CC[N@@H+](Cc1c(F)cccc1F)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000059409887 454259637 /nfs/dbraw/zinc/25/96/37/454259637.db2.gz CNDVCHFAEZBMES-OAHLLOKOSA-N 1 2 346.377 3.098 20 30 EGEDLO CC[N@H+](Cc1c(F)cccc1F)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000059409887 454259638 /nfs/dbraw/zinc/25/96/38/454259638.db2.gz CNDVCHFAEZBMES-OAHLLOKOSA-N 1 2 346.377 3.098 20 30 EGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000078503376 454265450 /nfs/dbraw/zinc/26/54/50/454265450.db2.gz RQNWDVLIBPICMA-UHFFFAOYSA-N 1 2 347.378 3.348 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC(C#N)CC1 ZINC000060893479 454319580 /nfs/dbraw/zinc/31/95/80/454319580.db2.gz FPVPOZQVABKANJ-LLVKDONJSA-N 1 2 325.334 3.268 20 30 EGEDLO COc1ccccc1[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1nccn1C ZINC000073123455 454396945 /nfs/dbraw/zinc/39/69/45/454396945.db2.gz AKNBUUHARRPGMK-LJQANCHMSA-N 1 2 332.407 3.180 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCc1ccccc1C)Cc1cccc(C#N)c1 ZINC000063300542 454403204 /nfs/dbraw/zinc/40/32/04/454403204.db2.gz ZDIQWXVTYVDZOH-UHFFFAOYSA-N 1 2 333.435 3.171 20 30 EGEDLO C=CC[N@H+](CC(=O)NCc1ccccc1C)Cc1cccc(C#N)c1 ZINC000063300542 454403207 /nfs/dbraw/zinc/40/32/07/454403207.db2.gz ZDIQWXVTYVDZOH-UHFFFAOYSA-N 1 2 333.435 3.171 20 30 EGEDLO C=CC[N@H+](CC(=O)N1CCc2ccccc21)Cc1cccc(C#N)c1 ZINC000063300738 454403958 /nfs/dbraw/zinc/40/39/58/454403958.db2.gz UWDJOSQZJONQGQ-UHFFFAOYSA-N 1 2 331.419 3.136 20 30 EGEDLO C=CC[N@@H+](CC(=O)N1CCc2ccccc21)Cc1cccc(C#N)c1 ZINC000063300738 454403963 /nfs/dbraw/zinc/40/39/63/454403963.db2.gz UWDJOSQZJONQGQ-UHFFFAOYSA-N 1 2 331.419 3.136 20 30 EGEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NCCCNc1cccc[nH+]1 ZINC000063402261 454410057 /nfs/dbraw/zinc/41/00/57/454410057.db2.gz CZEPKMGIUSSDCI-UHFFFAOYSA-N 1 2 349.438 3.153 20 30 EGEDLO COCC[N@H+](Cc1cn2c(cccc2C)n1)Cc1ccc(C#N)cc1 ZINC000063753781 454444074 /nfs/dbraw/zinc/44/40/74/454444074.db2.gz KNHMUCIBSAOQSU-UHFFFAOYSA-N 1 2 334.423 3.163 20 30 EGEDLO COCC[N@@H+](Cc1cn2c(cccc2C)n1)Cc1ccc(C#N)cc1 ZINC000063753781 454444078 /nfs/dbraw/zinc/44/40/78/454444078.db2.gz KNHMUCIBSAOQSU-UHFFFAOYSA-N 1 2 334.423 3.163 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121683780 454465684 /nfs/dbraw/zinc/46/56/84/454465684.db2.gz ZQFPLHVFIZIEBR-HRAATJIYSA-N 1 2 349.434 3.133 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121683780 454465689 /nfs/dbraw/zinc/46/56/89/454465689.db2.gz ZQFPLHVFIZIEBR-HRAATJIYSA-N 1 2 349.434 3.133 20 30 EGEDLO C=CCn1c(SCCn2cc[nH+]c2)nnc1-c1cccc(C)c1 ZINC000121857098 454486009 /nfs/dbraw/zinc/48/60/09/454486009.db2.gz FGURFBMYHYRZQZ-UHFFFAOYSA-N 1 2 325.441 3.428 20 30 EGEDLO COc1ccc(C#N)cc1NC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000064743558 454502691 /nfs/dbraw/zinc/50/26/91/454502691.db2.gz PULXMTUBDRFAMO-UHFFFAOYSA-N 1 2 349.394 3.047 20 30 EGEDLO C#Cc1cccc(NC(=O)N2CC[NH+](Cc3ccccc3OC)CC2)c1 ZINC000102794853 454520814 /nfs/dbraw/zinc/52/08/14/454520814.db2.gz FVBSRDUITUOKHN-UHFFFAOYSA-N 1 2 349.434 3.026 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000051428066 454625114 /nfs/dbraw/zinc/62/51/14/454625114.db2.gz AHMZGOYQELJYAN-OAHLLOKOSA-N 1 2 342.468 3.195 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000051428066 454625118 /nfs/dbraw/zinc/62/51/18/454625118.db2.gz AHMZGOYQELJYAN-OAHLLOKOSA-N 1 2 342.468 3.195 20 30 EGEDLO COc1cc(OC)c(C[NH2+]Cc2ccc(C#N)cc2F)c(OC)c1 ZINC000105642930 454648663 /nfs/dbraw/zinc/64/86/63/454648663.db2.gz WACDILKTCREGHM-UHFFFAOYSA-N 1 2 330.359 3.013 20 30 EGEDLO Cc1nnc(NCc2[nH+]ccn2CCCc2ccccc2)c(C#N)c1C ZINC000081033262 454675317 /nfs/dbraw/zinc/67/53/17/454675317.db2.gz UPDWRQQLKHLPLV-UHFFFAOYSA-N 1 2 346.438 3.407 20 30 EGEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000093090417 454679698 /nfs/dbraw/zinc/67/96/98/454679698.db2.gz WEPUSQFYMPCCLN-NSHDSACASA-N 1 2 339.233 3.344 20 30 EGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000093090417 454679700 /nfs/dbraw/zinc/67/97/00/454679700.db2.gz WEPUSQFYMPCCLN-NSHDSACASA-N 1 2 339.233 3.344 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)Cc1cccnc1 ZINC000123992312 454693047 /nfs/dbraw/zinc/69/30/47/454693047.db2.gz MSTMLBAPIOLKJI-UHFFFAOYSA-N 1 2 327.453 3.430 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)Cc1cccnc1 ZINC000123992312 454693048 /nfs/dbraw/zinc/69/30/48/454693048.db2.gz MSTMLBAPIOLKJI-UHFFFAOYSA-N 1 2 327.453 3.430 20 30 EGEDLO N#Cc1c(NC(=O)CC[N@@H+](CC(F)F)C2CC2)sc2c1CCC2 ZINC000106873192 454726703 /nfs/dbraw/zinc/72/67/03/454726703.db2.gz CUIDVQIHWNCKLA-UHFFFAOYSA-N 1 2 339.411 3.167 20 30 EGEDLO N#Cc1c(NC(=O)CC[N@H+](CC(F)F)C2CC2)sc2c1CCC2 ZINC000106873192 454726708 /nfs/dbraw/zinc/72/67/08/454726708.db2.gz CUIDVQIHWNCKLA-UHFFFAOYSA-N 1 2 339.411 3.167 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[N@H+](Cc3cccnc3)C3CC3)o2)cc1 ZINC000124758027 454767254 /nfs/dbraw/zinc/76/72/54/454767254.db2.gz LCRJBAKPHGTHBB-UHFFFAOYSA-N 1 2 331.379 3.168 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[N@@H+](Cc3cccnc3)C3CC3)o2)cc1 ZINC000124758027 454767258 /nfs/dbraw/zinc/76/72/58/454767258.db2.gz LCRJBAKPHGTHBB-UHFFFAOYSA-N 1 2 331.379 3.168 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccncc2)cc1Cl ZINC000125510048 454828547 /nfs/dbraw/zinc/82/85/47/454828547.db2.gz UYJCVQMOKRRUFQ-QGZVFWFLSA-N 1 2 340.814 3.382 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccncc2)cc1Cl ZINC000125510048 454828549 /nfs/dbraw/zinc/82/85/49/454828549.db2.gz UYJCVQMOKRRUFQ-QGZVFWFLSA-N 1 2 340.814 3.382 20 30 EGEDLO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC(C#N)CC1 ZINC000141942477 454833292 /nfs/dbraw/zinc/83/32/92/454833292.db2.gz DATUNQIMOUFNLZ-CQSZACIVSA-N 1 2 325.412 3.188 20 30 EGEDLO N#Cc1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000267034938 455495298 /nfs/dbraw/zinc/49/52/98/455495298.db2.gz LXYOZHJCHDAYQT-UHFFFAOYSA-N 1 2 346.356 3.294 20 30 EGEDLO C=CCNc1ncc(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)s1 ZINC000178537385 454960145 /nfs/dbraw/zinc/96/01/45/454960145.db2.gz MRGILVCGXCMXFL-UHFFFAOYSA-N 1 2 346.456 3.034 20 30 EGEDLO C[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000127452808 454966643 /nfs/dbraw/zinc/96/66/43/454966643.db2.gz KDSGEMCHBHCFGA-LBPRGKRZSA-N 1 2 328.803 3.238 20 30 EGEDLO C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000127452808 454966645 /nfs/dbraw/zinc/96/66/45/454966645.db2.gz KDSGEMCHBHCFGA-LBPRGKRZSA-N 1 2 328.803 3.238 20 30 EGEDLO COc1ccc([C@@H]2CC[N@H+](CC(=O)Nc3sccc3C#N)C2)cc1 ZINC000155256666 454979783 /nfs/dbraw/zinc/97/97/83/454979783.db2.gz AKVPAIDLFPDWTF-OAHLLOKOSA-N 1 2 341.436 3.056 20 30 EGEDLO COc1ccc([C@@H]2CC[N@@H+](CC(=O)Nc3sccc3C#N)C2)cc1 ZINC000155256666 454979785 /nfs/dbraw/zinc/97/97/85/454979785.db2.gz AKVPAIDLFPDWTF-OAHLLOKOSA-N 1 2 341.436 3.056 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)s1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000128308767 455044133 /nfs/dbraw/zinc/04/41/33/455044133.db2.gz HPZTWKKGRFRAKC-QGZVFWFLSA-N 1 2 325.437 3.247 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000128308767 455044135 /nfs/dbraw/zinc/04/41/35/455044135.db2.gz HPZTWKKGRFRAKC-QGZVFWFLSA-N 1 2 325.437 3.247 20 30 EGEDLO C=CC[C@@H](C)NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000116987510 455076831 /nfs/dbraw/zinc/07/68/31/455076831.db2.gz HGKNHFDYGAFFPM-CQSZACIVSA-N 1 2 339.439 3.238 20 30 EGEDLO COc1cc(C#N)ccc1C[NH2+][C@H](c1nc(C2CC2)no1)C(C)C ZINC000179819744 455083770 /nfs/dbraw/zinc/08/37/70/455083770.db2.gz VEYBOJOYDAVJMQ-INIZCTEOSA-N 1 2 326.400 3.314 20 30 EGEDLO C=CCC[C@H](NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000158692031 455322723 /nfs/dbraw/zinc/32/27/23/455322723.db2.gz KLYBGBMUCUQUKP-SCTDSRPQSA-N 1 2 345.487 3.102 20 30 EGEDLO N#Cc1ccc(Cl)cc1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000265560009 455343188 /nfs/dbraw/zinc/34/31/88/455343188.db2.gz SJYXJIBUTBDXDY-UHFFFAOYSA-N 1 2 328.803 3.055 20 30 EGEDLO N#Cc1cccc(OCCn2nc(C(F)(F)F)c3c[nH+]ccc32)c1 ZINC000181722278 455376234 /nfs/dbraw/zinc/37/62/34/455376234.db2.gz XRFQAQXRJMMSCC-UHFFFAOYSA-N 1 2 332.285 3.401 20 30 EGEDLO COc1ccc([C@H](C)CC/[NH+]=C/c2c(O)c(C)ncc2CO)cc1 ZINC000265934864 455410322 /nfs/dbraw/zinc/41/03/22/455410322.db2.gz GSJRTWWSZNGGGK-AYPRBGQRSA-N 1 2 328.412 3.209 20 30 EGEDLO C[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CCN1C(=O)OC(C)(C)C ZINC000265995725 455421013 /nfs/dbraw/zinc/42/10/13/455421013.db2.gz HPBRORAJQDQGNN-HNNXBMFYSA-N 1 2 345.443 3.030 20 30 EGEDLO C[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCN1C(=O)OC(C)(C)C ZINC000265995725 455421017 /nfs/dbraw/zinc/42/10/17/455421017.db2.gz HPBRORAJQDQGNN-HNNXBMFYSA-N 1 2 345.443 3.030 20 30 EGEDLO C=CC[N@@H+](CCOC)Cc1csc(-c2ccc(OC)cc2OC)n1 ZINC000191107814 455444411 /nfs/dbraw/zinc/44/44/11/455444411.db2.gz WVKSRMCCEDBOEV-UHFFFAOYSA-N 1 2 348.468 3.462 20 30 EGEDLO C=CC[N@H+](CCOC)Cc1csc(-c2ccc(OC)cc2OC)n1 ZINC000191107814 455444415 /nfs/dbraw/zinc/44/44/15/455444415.db2.gz WVKSRMCCEDBOEV-UHFFFAOYSA-N 1 2 348.468 3.462 20 30 EGEDLO C=CC[N@@H+](CCOC)Cc1csc(-c2cccc(C(=O)OC)c2)n1 ZINC000191146062 455452690 /nfs/dbraw/zinc/45/26/90/455452690.db2.gz VLQRNJZOGWNOOA-UHFFFAOYSA-N 1 2 346.452 3.231 20 30 EGEDLO C=CC[N@H+](CCOC)Cc1csc(-c2cccc(C(=O)OC)c2)n1 ZINC000191146062 455452695 /nfs/dbraw/zinc/45/26/95/455452695.db2.gz VLQRNJZOGWNOOA-UHFFFAOYSA-N 1 2 346.452 3.231 20 30 EGEDLO CC1CCN(C(=O)C2CC[NH+](Cc3cc(F)ccc3C#N)CC2)CC1 ZINC000160429908 455457805 /nfs/dbraw/zinc/45/78/05/455457805.db2.gz IGCMDLHFGDFCTD-UHFFFAOYSA-N 1 2 343.446 3.168 20 30 EGEDLO C=CC[N@@H+](CCC#N)CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000292202746 455595165 /nfs/dbraw/zinc/59/51/65/455595165.db2.gz NWHJFJRBYARYDM-UHFFFAOYSA-N 1 2 325.334 3.436 20 30 EGEDLO C=CC[N@H+](CCC#N)CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000292202746 455595169 /nfs/dbraw/zinc/59/51/69/455595169.db2.gz NWHJFJRBYARYDM-UHFFFAOYSA-N 1 2 325.334 3.436 20 30 EGEDLO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](CO)c2c(F)cccc2F)cc1 ZINC000271466596 455647828 /nfs/dbraw/zinc/64/78/28/455647828.db2.gz LCVZTFMTJKAOJE-ACJLOTCBSA-N 1 2 331.362 3.361 20 30 EGEDLO C[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(C#N)cc1 ZINC000268437407 455682136 /nfs/dbraw/zinc/68/21/36/455682136.db2.gz XYANNARLUQWACU-MPGHIAIKSA-N 1 2 337.427 3.108 20 30 EGEDLO CC#CC[N@H+](C)Cc1nc(-c2ccc(Br)s2)no1 ZINC000293040627 455772790 /nfs/dbraw/zinc/77/27/90/455772790.db2.gz GZVNBTKWWMNCLM-UHFFFAOYSA-N 1 2 326.219 3.016 20 30 EGEDLO CC#CC[N@@H+](C)Cc1nc(-c2ccc(Br)s2)no1 ZINC000293040627 455772795 /nfs/dbraw/zinc/77/27/95/455772795.db2.gz GZVNBTKWWMNCLM-UHFFFAOYSA-N 1 2 326.219 3.016 20 30 EGEDLO N#C[C@@]1(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC12CCCC2 ZINC000294385899 455813245 /nfs/dbraw/zinc/81/32/45/455813245.db2.gz HOQDMALLBNGKKO-HXUWFJFHSA-N 1 2 338.455 3.162 20 30 EGEDLO C=C(C)[C@@H](CC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)OCC ZINC000270015929 455857867 /nfs/dbraw/zinc/85/78/67/455857867.db2.gz CCHWXCVTVHTNRK-GOSISDBHSA-N 1 2 345.487 3.450 20 30 EGEDLO C[C@@H](O[NH+]=C(N)c1ccc(N2CCCCC2)nc1)c1ccc(C#N)cc1 ZINC000194627878 455866067 /nfs/dbraw/zinc/86/60/67/455866067.db2.gz VOPCCLLZSSWTGK-OAHLLOKOSA-N 1 2 349.438 3.342 20 30 EGEDLO CN(C)c1ccc2cc(NC(=O)Cc3ccc(C#N)cc3)ccc2[nH+]1 ZINC000194759379 455880187 /nfs/dbraw/zinc/88/01/87/455880187.db2.gz FMGOLMWUZNKZCK-UHFFFAOYSA-N 1 2 330.391 3.354 20 30 EGEDLO CC(C)c1nnc([C@H]2C[N@@H+]([C@H](C)c3ccc(C#N)cc3)CCO2)o1 ZINC000280130066 455899597 /nfs/dbraw/zinc/89/95/97/455899597.db2.gz QMNJLDJTOZJPJN-CZUORRHYSA-N 1 2 326.400 3.199 20 30 EGEDLO CC(C)c1nnc([C@H]2C[N@H+]([C@H](C)c3ccc(C#N)cc3)CCO2)o1 ZINC000280130066 455899603 /nfs/dbraw/zinc/89/96/03/455899603.db2.gz QMNJLDJTOZJPJN-CZUORRHYSA-N 1 2 326.400 3.199 20 30 EGEDLO C=C(C)Cn1c(SCc2cc[nH+]c(N)c2)nnc1-c1ccncc1 ZINC000195501575 455969989 /nfs/dbraw/zinc/96/99/89/455969989.db2.gz PQPVBVNRUZCFMS-UHFFFAOYSA-N 1 2 338.440 3.186 20 30 EGEDLO COC(=O)c1nc([C@@H]2CCC[N@@H+]2Cc2cccc(C#N)c2)sc1C ZINC000280449755 455974723 /nfs/dbraw/zinc/97/47/23/455974723.db2.gz NNXCRXAMKLPHGY-HNNXBMFYSA-N 1 2 341.436 3.447 20 30 EGEDLO COC(=O)c1nc([C@@H]2CCC[N@H+]2Cc2cccc(C#N)c2)sc1C ZINC000280449755 455974726 /nfs/dbraw/zinc/97/47/26/455974726.db2.gz NNXCRXAMKLPHGY-HNNXBMFYSA-N 1 2 341.436 3.447 20 30 EGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC000272597824 456008049 /nfs/dbraw/zinc/00/80/49/456008049.db2.gz QKWSOJBQHZERJA-OAHLLOKOSA-N 1 2 342.418 3.087 20 30 EGEDLO C=CC[C@@H](CC)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000280908987 456079040 /nfs/dbraw/zinc/07/90/40/456079040.db2.gz DEMONGRASODFSE-HZPDHXFCSA-N 1 2 330.407 3.303 20 30 EGEDLO C#C[C@H](CC)[NH2+]Cc1ncc(Br)cc1Br ZINC000229899513 456130255 /nfs/dbraw/zinc/13/02/55/456130255.db2.gz KOZOKVZVHPICBB-SECBINFHSA-N 1 2 332.039 3.108 20 30 EGEDLO C#C[C@@H](NC(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1)C(C)C ZINC000281151365 456148518 /nfs/dbraw/zinc/14/85/18/456148518.db2.gz VYMZSHPJZWKNDB-QGZVFWFLSA-N 1 2 338.455 3.349 20 30 EGEDLO CCc1nnc(NCc2ccc(-n3cc[nH+]c3)cc2)c(C#N)c1CC ZINC000301613395 456161760 /nfs/dbraw/zinc/16/17/60/456161760.db2.gz HEYPSNKNWIIHBR-UHFFFAOYSA-N 1 2 332.411 3.271 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCO[C@H](CC)C1 ZINC000281334543 456204126 /nfs/dbraw/zinc/20/41/26/456204126.db2.gz JPZRPPJZXRXZCR-OAHLLOKOSA-N 1 2 334.485 3.404 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCCO[C@H](CC)C1 ZINC000281334543 456204132 /nfs/dbraw/zinc/20/41/32/456204132.db2.gz JPZRPPJZXRXZCR-OAHLLOKOSA-N 1 2 334.485 3.404 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCO[C@@H](CC)C1 ZINC000281334537 456204428 /nfs/dbraw/zinc/20/44/28/456204428.db2.gz JPZRPPJZXRXZCR-HNNXBMFYSA-N 1 2 334.485 3.404 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCCO[C@@H](CC)C1 ZINC000281334537 456204432 /nfs/dbraw/zinc/20/44/32/456204432.db2.gz JPZRPPJZXRXZCR-HNNXBMFYSA-N 1 2 334.485 3.404 20 30 EGEDLO Cc1cc(O[C@H]2CCN(C)C2=O)ccc1[NH2+]CCCC(C)(C)C#N ZINC000281396135 456222309 /nfs/dbraw/zinc/22/23/09/456222309.db2.gz ZTUMTANVMLCTBU-KRWDZBQOSA-N 1 2 329.444 3.346 20 30 EGEDLO C=CCNc1ncc(C(=O)N2CCCC[C@@H]2c2[nH+]ccn2CC)s1 ZINC000281452926 456238995 /nfs/dbraw/zinc/23/89/95/456238995.db2.gz GBBLZBKERZJEHO-CYBMUJFWSA-N 1 2 345.472 3.325 20 30 EGEDLO C=CCNc1ncc(C(=O)N2CCCC[C@H]2c2[nH+]ccn2CC)s1 ZINC000281452928 456239368 /nfs/dbraw/zinc/23/93/68/456239368.db2.gz GBBLZBKERZJEHO-ZDUSSCGKSA-N 1 2 345.472 3.325 20 30 EGEDLO Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000281652097 456283633 /nfs/dbraw/zinc/28/36/33/456283633.db2.gz PTESHXXUZDWZGG-RVKKMQEKSA-N 1 2 327.428 3.099 20 30 EGEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000297822299 456302280 /nfs/dbraw/zinc/30/22/80/456302280.db2.gz JIKOSWJWRFIHIG-INIZCTEOSA-N 1 2 343.471 3.170 20 30 EGEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000297826322 456303896 /nfs/dbraw/zinc/30/38/96/456303896.db2.gz JQBBIAFKNCTAPE-MRXNPFEDSA-N 1 2 327.428 3.004 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)N(C)[C@H]1CCCC[C@@H]1C)Cc1ccc(CO)o1 ZINC000352817710 456333423 /nfs/dbraw/zinc/33/34/23/456333423.db2.gz RNILQYSNPMQDAN-LPHOPBHVSA-N 1 2 348.487 3.187 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)N(C)[C@H]1CCCC[C@@H]1C)Cc1ccc(CO)o1 ZINC000352817710 456333425 /nfs/dbraw/zinc/33/34/25/456333425.db2.gz RNILQYSNPMQDAN-LPHOPBHVSA-N 1 2 348.487 3.187 20 30 EGEDLO C=CCOCCC[NH2+][C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000348048009 456443903 /nfs/dbraw/zinc/44/39/03/456443903.db2.gz GXHNGUWOGSKCQI-AWEZNQCLSA-N 1 2 340.349 3.095 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000343283641 456506360 /nfs/dbraw/zinc/50/63/60/456506360.db2.gz DGICFHSDPWBPNP-DOTOQJQBSA-N 1 2 341.480 3.430 20 30 EGEDLO CC(C)(C#N)c1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000343352584 456552483 /nfs/dbraw/zinc/55/24/83/456552483.db2.gz HOCJMUKZWNIQLH-UHFFFAOYSA-N 1 2 345.406 3.380 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)c1C#N ZINC000305819083 456562080 /nfs/dbraw/zinc/56/20/80/456562080.db2.gz PLLCKJGVVLEEOC-OXJNMPFZSA-N 1 2 338.455 3.035 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)c1C#N ZINC000305819083 456562082 /nfs/dbraw/zinc/56/20/82/456562082.db2.gz PLLCKJGVVLEEOC-OXJNMPFZSA-N 1 2 338.455 3.035 20 30 EGEDLO C[C@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)c1ncnn1C ZINC000353236271 456578394 /nfs/dbraw/zinc/57/83/94/456578394.db2.gz LNBQCVBXMDFMMH-HNNXBMFYSA-N 1 2 347.422 3.117 20 30 EGEDLO CC(C)(C)C(=O)N1CC[N@H+](Cc2cccc(C#N)c2F)C(C)(C)C1 ZINC000343407309 456598872 /nfs/dbraw/zinc/59/88/72/456598872.db2.gz WZCXYHSMUDJFTO-UHFFFAOYSA-N 1 2 331.435 3.166 20 30 EGEDLO CC(C)(C)C(=O)N1CC[N@@H+](Cc2cccc(C#N)c2F)C(C)(C)C1 ZINC000343407309 456598879 /nfs/dbraw/zinc/59/88/79/456598879.db2.gz WZCXYHSMUDJFTO-UHFFFAOYSA-N 1 2 331.435 3.166 20 30 EGEDLO Cc1ccc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)nc1 ZINC000348316384 456618121 /nfs/dbraw/zinc/61/81/21/456618121.db2.gz JQSDIMDIIBHKMU-LJQANCHMSA-N 1 2 340.858 3.426 20 30 EGEDLO Cc1cncc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC000348320458 456620441 /nfs/dbraw/zinc/62/04/41/456620441.db2.gz MVMIJIQFRRLERV-LJQANCHMSA-N 1 2 340.858 3.426 20 30 EGEDLO Cc1ncc(CO)c(/C=[NH+]/C[C@@H]2CCCO[C@H]2c2ccccc2)c1O ZINC000299204491 456632185 /nfs/dbraw/zinc/63/21/85/456632185.db2.gz CCOHIQOSOZVTPU-XAGCGQPSSA-N 1 2 340.423 3.175 20 30 EGEDLO Cc1nsc(N2CC[NH+](Cc3cccc(Cl)c3O)CC2)c1C#N ZINC000291477870 456656108 /nfs/dbraw/zinc/65/61/08/456656108.db2.gz FNYYUZDYJSJPNW-UHFFFAOYSA-N 1 2 348.859 3.004 20 30 EGEDLO CC#CC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000283068920 456703894 /nfs/dbraw/zinc/70/38/94/456703894.db2.gz CXOBBVOOAYZBEX-UHFFFAOYSA-N 1 2 325.239 3.097 20 30 EGEDLO [O-]C(=[NH+]C[C@@H]1CCCn2cc[nH+]c21)N1CCc2c(F)ccc(F)c2C1 ZINC000328605575 456717624 /nfs/dbraw/zinc/71/76/24/456717624.db2.gz JSOBUPPOXFVGPX-LBPRGKRZSA-N 1 2 346.381 3.011 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC[C@H](C(F)(F)F)C1)CCC2 ZINC000328666313 456731933 /nfs/dbraw/zinc/73/19/33/456731933.db2.gz ZVCJCJJAMQOSNQ-STQMWFEESA-N 1 2 344.381 3.257 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1cn3c(n1)CCCC3)C2 ZINC000328703080 456741136 /nfs/dbraw/zinc/74/11/36/456741136.db2.gz JYFCZGHXZGZPGF-CYBMUJFWSA-N 1 2 341.459 3.033 20 30 EGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)c2coc(C3CCCC3)n2)CCO1 ZINC000328745066 456751690 /nfs/dbraw/zinc/75/16/90/456751690.db2.gz KSBCQACCQIGFRF-CJNGLKHVSA-N 1 2 344.415 3.291 20 30 EGEDLO Cn1cc[nH+]c1CNC(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000344147944 456801642 /nfs/dbraw/zinc/80/16/42/456801642.db2.gz GTTDIKHXQOIMKR-UHFFFAOYSA-N 1 2 330.391 3.142 20 30 EGEDLO Cc1cc(NC(=O)N2CCC(=O)[C@H](C)C2)c[nH+]c1N1CCCC[C@H]1C ZINC000328966032 456802318 /nfs/dbraw/zinc/80/23/18/456802318.db2.gz MQAINAYKTNYORV-HUUCEWRRSA-N 1 2 344.459 3.225 20 30 EGEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CCC(=O)[C@H](C)C1 ZINC000328978265 456806042 /nfs/dbraw/zinc/80/60/42/456806042.db2.gz WZCIFCMLYOOTSG-NVXWUHKLSA-N 1 2 344.455 3.421 20 30 EGEDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1c(C(C)C)nc2sc(C)nn12 ZINC000329020213 456815667 /nfs/dbraw/zinc/81/56/67/456815667.db2.gz SHEVBWTYGXDYTN-GFCCVEGCSA-N 1 2 335.477 3.163 20 30 EGEDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1c(C(C)C)nc2sc(C)nn12 ZINC000329020213 456815673 /nfs/dbraw/zinc/81/56/73/456815673.db2.gz SHEVBWTYGXDYTN-GFCCVEGCSA-N 1 2 335.477 3.163 20 30 EGEDLO Cc1noc([C@H]2CC[N@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C2)n1 ZINC000329031537 456818487 /nfs/dbraw/zinc/81/84/87/456818487.db2.gz LLNZRMAWTZYFFJ-LBPRGKRZSA-N 1 2 345.428 3.006 20 30 EGEDLO Cc1noc([C@H]2CC[N@@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C2)n1 ZINC000329031537 456818493 /nfs/dbraw/zinc/81/84/93/456818493.db2.gz LLNZRMAWTZYFFJ-LBPRGKRZSA-N 1 2 345.428 3.006 20 30 EGEDLO O=C(N[C@H]1CCCOc2ccccc21)C1([NH+]2CCOCC2)CCC1 ZINC000329085701 456830195 /nfs/dbraw/zinc/83/01/95/456830195.db2.gz GLADQFIRMIMAIK-INIZCTEOSA-N 1 2 330.428 3.112 20 30 EGEDLO COc1cccc(C(F)(F)C[NH2+][C@H]2CCc3ccc(C#N)cc32)n1 ZINC000353656858 456835776 /nfs/dbraw/zinc/83/57/76/456835776.db2.gz JCHOKNPYCLBACQ-HNNXBMFYSA-N 1 2 329.350 3.331 20 30 EGEDLO CCc1cc(=O)c2cc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)ccc2[nH]1 ZINC000329261799 456863258 /nfs/dbraw/zinc/86/32/58/456863258.db2.gz AZLNLZGWFIOELK-GFCCVEGCSA-N 1 2 336.395 3.138 20 30 EGEDLO CC(C)C[C@@H]1C[C@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CCO1 ZINC000329319455 456871607 /nfs/dbraw/zinc/87/16/07/456871607.db2.gz DQMFCUHWUTUJIW-NXHRZFHOSA-N 1 2 338.492 3.180 20 30 EGEDLO CC(C)C[C@@H]1C[C@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CCO1 ZINC000329319455 456871611 /nfs/dbraw/zinc/87/16/11/456871611.db2.gz DQMFCUHWUTUJIW-NXHRZFHOSA-N 1 2 338.492 3.180 20 30 EGEDLO CCc1cccc2c1OCC[C@@H]2NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000329329949 456873825 /nfs/dbraw/zinc/87/38/25/456873825.db2.gz LHMYGUMLKFDMNX-KRWDZBQOSA-N 1 2 344.455 3.284 20 30 EGEDLO CC[C@@H]1CCCCN1C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329356677 456878697 /nfs/dbraw/zinc/87/86/97/456878697.db2.gz WIWGJBIOUULFLF-HZPDHXFCSA-N 1 2 334.464 3.066 20 30 EGEDLO CC[C@H]1C[C@H](C(=O)Nc2ccccc2C[NH+]2CCOCC2)CC(=O)N1 ZINC000329372387 456880252 /nfs/dbraw/zinc/88/02/52/456880252.db2.gz BBZCWWWEOPRREQ-HOTGVXAUSA-N 1 2 345.443 3.252 20 30 EGEDLO CC(C)C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CCO1 ZINC000329418948 456887465 /nfs/dbraw/zinc/88/74/65/456887465.db2.gz DWCFOHLZYPGCTC-MLHJIOFPSA-N 1 2 348.491 3.274 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]([NH+]=C([O-])N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CCO1 ZINC000329418948 456887467 /nfs/dbraw/zinc/88/74/67/456887467.db2.gz DWCFOHLZYPGCTC-MLHJIOFPSA-N 1 2 348.491 3.274 20 30 EGEDLO C[C@@H]1CCN(C(=O)N[C@H](C2CC2)C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000329554645 456908076 /nfs/dbraw/zinc/90/80/76/456908076.db2.gz KKJPVCFYSVRTJG-RAIGVLPGSA-N 1 2 330.354 3.021 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@H]1CCCSC1 ZINC000329703222 456929887 /nfs/dbraw/zinc/92/98/87/456929887.db2.gz IPYKSADICMTMIP-CABCVRRESA-N 1 2 336.505 3.487 20 30 EGEDLO CC1(C)C[N@H+](CC(=O)N[C@@H]2CCOc3ccccc32)[C@@H]1[C@@H]1CCCO1 ZINC000329827163 456946582 /nfs/dbraw/zinc/94/65/82/456946582.db2.gz ISDYYOIKLBKRQN-HHXXYDBFSA-N 1 2 344.455 3.356 20 30 EGEDLO CC1(C)C[N@@H+](CC(=O)N[C@@H]2CCOc3ccccc32)[C@@H]1[C@@H]1CCCO1 ZINC000329827163 456946585 /nfs/dbraw/zinc/94/65/85/456946585.db2.gz ISDYYOIKLBKRQN-HHXXYDBFSA-N 1 2 344.455 3.356 20 30 EGEDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)c1 ZINC000329830117 456948025 /nfs/dbraw/zinc/94/80/25/456948025.db2.gz JYYPOYUJUSLLKX-SOUVJXGZSA-N 1 2 331.416 3.057 20 30 EGEDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)c1 ZINC000329830117 456948028 /nfs/dbraw/zinc/94/80/28/456948028.db2.gz JYYPOYUJUSLLKX-SOUVJXGZSA-N 1 2 331.416 3.057 20 30 EGEDLO CC1(C)[C@H](C(F)(F)F)CCN1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000329868920 456953235 /nfs/dbraw/zinc/95/32/35/456953235.db2.gz YBBZOACKDXYEOB-VXGBXAGGSA-N 1 2 344.381 3.337 20 30 EGEDLO Cc1nc([C@H]2CCCN2C(=O)NC[C@H]2CCCn3cc[nH+]c32)cs1 ZINC000330074462 456981136 /nfs/dbraw/zinc/98/11/36/456981136.db2.gz FQTQYJRUJUVSDN-UKRRQHHQSA-N 1 2 345.472 3.277 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NCc1ccc(C#N)cc1F)c1ccccc1F ZINC000341875782 456981608 /nfs/dbraw/zinc/98/16/08/456981608.db2.gz KFPCYVPDLZWMIU-SFHVURJKSA-N 1 2 338.361 3.449 20 30 EGEDLO Cc1cccc(C)c1NC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000330100523 456984948 /nfs/dbraw/zinc/98/49/48/456984948.db2.gz DXCPLBSNZDBSDJ-LPHOPBHVSA-N 1 2 332.444 3.161 20 30 EGEDLO Cc1cccc(C)c1NC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000330100523 456984952 /nfs/dbraw/zinc/98/49/52/456984952.db2.gz DXCPLBSNZDBSDJ-LPHOPBHVSA-N 1 2 332.444 3.161 20 30 EGEDLO C[C@H](C#N)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000345802417 456996050 /nfs/dbraw/zinc/99/60/50/456996050.db2.gz NGJKGIOQCQZHKJ-MRXNPFEDSA-N 1 2 344.418 3.374 20 30 EGEDLO [O-]C(NCCC12CC3CC(CC(C3)C1)C2)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330187329 456998153 /nfs/dbraw/zinc/99/81/53/456998153.db2.gz SXSATCXLPHGYSW-VQBCORBOSA-N 1 2 342.487 3.308 20 30 EGEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]CCC12CC3CC(CC(C3)C1)C2 ZINC000330187329 456998157 /nfs/dbraw/zinc/99/81/57/456998157.db2.gz SXSATCXLPHGYSW-VQBCORBOSA-N 1 2 342.487 3.308 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@H]1c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000345984314 457009551 /nfs/dbraw/zinc/00/95/51/457009551.db2.gz BAUJTKTUODJBPJ-SJORKVTESA-N 1 2 336.395 3.430 20 30 EGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC3CC(F)(F)C3)n2)C1 ZINC000330244601 457010120 /nfs/dbraw/zinc/01/01/20/457010120.db2.gz DGLSNWAHBQSTJM-JTQLQIEISA-N 1 2 344.431 3.499 20 30 EGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3CC(F)(F)C3)n2)C1 ZINC000330244601 457010122 /nfs/dbraw/zinc/01/01/22/457010122.db2.gz DGLSNWAHBQSTJM-JTQLQIEISA-N 1 2 344.431 3.499 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000330249764 457011027 /nfs/dbraw/zinc/01/10/27/457011027.db2.gz GUCLARQSIBYJAD-YVSFHVDLSA-N 1 2 346.475 3.302 20 30 EGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCc1cncc(C)c1 ZINC000330275663 457018790 /nfs/dbraw/zinc/01/87/90/457018790.db2.gz LVCMMQGREORLRW-MRXNPFEDSA-N 1 2 327.432 3.248 20 30 EGEDLO CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330332728 457029474 /nfs/dbraw/zinc/02/94/74/457029474.db2.gz PEOOOVMXEYLGRX-PNBKFKSVSA-N 1 2 334.464 3.113 20 30 EGEDLO CCc1ccc(NC(=O)N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000330331000 457029590 /nfs/dbraw/zinc/02/95/90/457029590.db2.gz NSSGPCNDXOOQJA-MRXNPFEDSA-N 1 2 345.422 3.036 20 30 EGEDLO COCC1(C#N)CC[NH+](CC(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000341987359 457044783 /nfs/dbraw/zinc/04/47/83/457044783.db2.gz GMGFYIPGUUISRQ-UHFFFAOYSA-N 1 2 343.471 3.309 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2nc3ccc(OC)cc3s2)CC1 ZINC000341991446 457046565 /nfs/dbraw/zinc/04/65/65/457046565.db2.gz NRQXQKWAIPLRCK-UHFFFAOYSA-N 1 2 331.441 3.057 20 30 EGEDLO C=CCOc1ccc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000359064284 457050200 /nfs/dbraw/zinc/05/02/00/457050200.db2.gz UZCVHDFPHPTIAJ-UHFFFAOYSA-N 1 2 347.418 3.426 20 30 EGEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000342029578 457067728 /nfs/dbraw/zinc/06/77/28/457067728.db2.gz SPFBXEMZHAKMMA-CQSZACIVSA-N 1 2 346.390 3.032 20 30 EGEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)Nc1cccc(Br)c1 ZINC000330834398 457091849 /nfs/dbraw/zinc/09/18/49/457091849.db2.gz KVVPSXOAZUMTMN-WDMOLILDSA-N 1 2 336.233 3.058 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000330991088 457115603 /nfs/dbraw/zinc/11/56/03/457115603.db2.gz YGHXMWYSEJPDLE-PJIJBLCYSA-N 1 2 349.425 3.197 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000330991088 457115612 /nfs/dbraw/zinc/11/56/12/457115612.db2.gz YGHXMWYSEJPDLE-PJIJBLCYSA-N 1 2 349.425 3.197 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC(C)(C)OC[C@@H]2C)c1 ZINC000331163811 457141311 /nfs/dbraw/zinc/14/13/11/457141311.db2.gz RSAMUTQREWAKFM-KRWDZBQOSA-N 1 2 343.471 3.049 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC(C)(C)OC[C@@H]2C)c1 ZINC000331163811 457141317 /nfs/dbraw/zinc/14/13/17/457141317.db2.gz RSAMUTQREWAKFM-KRWDZBQOSA-N 1 2 343.471 3.049 20 30 EGEDLO Cc1cc(C)c(NC(=O)NC(C)(C)C(=O)NCC(C)(C)C)c(C)[nH+]1 ZINC000331233566 457150738 /nfs/dbraw/zinc/15/07/38/457150738.db2.gz JVXZFFLQLPWPHM-UHFFFAOYSA-N 1 2 334.464 3.083 20 30 EGEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000331359658 457172072 /nfs/dbraw/zinc/17/20/72/457172072.db2.gz WUUPLVZIJBVNFO-SGMGOOAPSA-N 1 2 335.835 3.266 20 30 EGEDLO N#CC1(NC(=O)C[NH+](Cc2cccs2)Cc2cccs2)CCC1 ZINC000346874369 457186340 /nfs/dbraw/zinc/18/63/40/457186340.db2.gz UCISFLHOOOPFGK-UHFFFAOYSA-N 1 2 345.493 3.374 20 30 EGEDLO Cc1onc(CC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)c1C#N ZINC000354422099 457211530 /nfs/dbraw/zinc/21/15/30/457211530.db2.gz NWNNSBRARXOBJL-UHFFFAOYSA-N 1 2 334.335 3.223 20 30 EGEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccc(-c3ccccc3)o2)C(N)=O)cc1 ZINC000360068391 457236075 /nfs/dbraw/zinc/23/60/75/457236075.db2.gz IGAQNZGUCVYHOH-LJQANCHMSA-N 1 2 331.375 3.134 20 30 EGEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cc(C#N)oc3C)CC2)s1 ZINC000332094440 457302731 /nfs/dbraw/zinc/30/27/31/457302731.db2.gz NGFTWDFVRVTDAD-UHFFFAOYSA-N 1 2 343.452 3.042 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN([C@@H](C)c2ccsc2)CC1 ZINC000360614961 457321192 /nfs/dbraw/zinc/32/11/92/457321192.db2.gz ZNJYMQNLXYPDAD-DLBZAZTESA-N 1 2 349.544 3.240 20 30 EGEDLO Cc1ccn2cc(CNC(=O)C[C@@H](CC#N)c3ccccc3)[nH+]c2c1 ZINC000355032196 457338720 /nfs/dbraw/zinc/33/87/20/457338720.db2.gz ABROTJXYKDPZSW-QGZVFWFLSA-N 1 2 332.407 3.347 20 30 EGEDLO N#Cc1ccc(C2(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)CC2)cc1 ZINC000352458065 457383002 /nfs/dbraw/zinc/38/30/02/457383002.db2.gz ZLEOUTFWGLUOPW-UHFFFAOYSA-N 1 2 342.402 3.092 20 30 EGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1ccoc1 ZINC000342646169 457425613 /nfs/dbraw/zinc/42/56/13/457425613.db2.gz TVEHIGPZFZVITH-NSHDSACASA-N 1 2 329.425 3.160 20 30 EGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1ccoc1 ZINC000342646169 457425615 /nfs/dbraw/zinc/42/56/15/457425615.db2.gz TVEHIGPZFZVITH-NSHDSACASA-N 1 2 329.425 3.160 20 30 EGEDLO C=CCCC1(C(=O)NC[C@H]2C[C@H](F)C[N@H+]2Cc2c(C)noc2C)CC1 ZINC000356084583 457447239 /nfs/dbraw/zinc/44/72/39/457447239.db2.gz DNGFGZBRGNHEKO-JKSUJKDBSA-N 1 2 349.450 3.066 20 30 EGEDLO C=CCCC1(C(=O)NC[C@H]2C[C@H](F)C[N@@H+]2Cc2c(C)noc2C)CC1 ZINC000356084583 457447246 /nfs/dbraw/zinc/44/72/46/457447246.db2.gz DNGFGZBRGNHEKO-JKSUJKDBSA-N 1 2 349.450 3.066 20 30 EGEDLO CCCN(C(=O)c1cccs1)C1CC[NH+](CC2(C#N)CC2)CC1 ZINC000347480448 457455553 /nfs/dbraw/zinc/45/55/53/457455553.db2.gz NNQTTYFOEQUAGE-UHFFFAOYSA-N 1 2 331.485 3.368 20 30 EGEDLO CC1(C)C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000347574331 457519433 /nfs/dbraw/zinc/51/94/33/457519433.db2.gz BWRSULIMBUBZTD-HZPDHXFCSA-N 1 2 325.437 3.229 20 30 EGEDLO CC1(C)C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000347574331 457519443 /nfs/dbraw/zinc/51/94/43/457519443.db2.gz BWRSULIMBUBZTD-HZPDHXFCSA-N 1 2 325.437 3.229 20 30 EGEDLO CCC[C@@H]([NH2+]Cc1ccc(C#N)cc1OC)c1nnc2ccccn21 ZINC000347632808 457563794 /nfs/dbraw/zinc/56/37/94/457563794.db2.gz HAHSVJXQECEMKL-MRXNPFEDSA-N 1 2 335.411 3.241 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000370439386 457647885 /nfs/dbraw/zinc/64/78/85/457647885.db2.gz ANHATYRTPLYHLD-SFHVURJKSA-N 1 2 339.439 3.403 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc(COC)[nH+]c2ccc(F)cc12 ZINC000357677792 457652297 /nfs/dbraw/zinc/65/22/97/457652297.db2.gz AOWQNSWXEGIDDL-DJJJIMSYSA-N 1 2 330.403 3.335 20 30 EGEDLO COCCCn1nccc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000374993548 457748008 /nfs/dbraw/zinc/74/80/08/457748008.db2.gz GWSKKZSMZKMQSE-PMACEKPBSA-N 1 2 338.455 3.191 20 30 EGEDLO COCCCn1nccc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000374993548 457748012 /nfs/dbraw/zinc/74/80/12/457748012.db2.gz GWSKKZSMZKMQSE-PMACEKPBSA-N 1 2 338.455 3.191 20 30 EGEDLO C[N@H+](CCc1nc2sc3c(c2c(N)n1)CCCC3)CC(C)(C)C#N ZINC000433304262 457803493 /nfs/dbraw/zinc/80/34/93/457803493.db2.gz MRALDELXUAYXTN-UHFFFAOYSA-N 1 2 343.500 3.176 20 30 EGEDLO C[N@@H+](CCc1nc2sc3c(c2c(N)n1)CCCC3)CC(C)(C)C#N ZINC000433304262 457803499 /nfs/dbraw/zinc/80/34/99/457803499.db2.gz MRALDELXUAYXTN-UHFFFAOYSA-N 1 2 343.500 3.176 20 30 EGEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411172835 457820425 /nfs/dbraw/zinc/82/04/25/457820425.db2.gz JHBAEANBCLBMMQ-UHFFFAOYSA-N 1 2 337.423 3.160 20 30 EGEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000362129585 458032475 /nfs/dbraw/zinc/03/24/75/458032475.db2.gz LKVJWTOSHIYZBX-AWEZNQCLSA-N 1 2 337.427 3.243 20 30 EGEDLO C[C@@H]([NH2+]Cc1nccc(N)n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000371705563 458041666 /nfs/dbraw/zinc/04/16/66/458041666.db2.gz DRMSTJMVMBTWPU-CQSZACIVSA-N 1 2 329.407 3.279 20 30 EGEDLO COc1ccc(C#N)cc1C[NH2+][C@@H](c1cnn(C)c1)c1ccccc1 ZINC000371708363 458043642 /nfs/dbraw/zinc/04/36/42/458043642.db2.gz GDZNAFLNJQYQSR-HXUWFJFHSA-N 1 2 332.407 3.180 20 30 EGEDLO N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428003391 458065063 /nfs/dbraw/zinc/06/50/63/458065063.db2.gz BPEXXANXFXNJKK-MRXNPFEDSA-N 1 2 342.402 3.167 20 30 EGEDLO C=C[C@H]1CCCCN1C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000428040517 458070809 /nfs/dbraw/zinc/07/08/09/458070809.db2.gz KSZRCWXOGHBPNU-INIZCTEOSA-N 1 2 329.469 3.443 20 30 EGEDLO C[C@H]([C@H](C)Nc1nc2c(cc1C#N)CCCC2(C)C)[NH+]1CCOCC1 ZINC000428100334 458080267 /nfs/dbraw/zinc/08/02/67/458080267.db2.gz GKTHDVOCYGUCBU-LSDHHAIUSA-N 1 2 342.487 3.088 20 30 EGEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(=Cc3ccccc3F)CC2)cc1 ZINC000362482787 458208375 /nfs/dbraw/zinc/20/83/75/458208375.db2.gz FFSMOPSEOWUODZ-HXUWFJFHSA-N 1 2 349.409 3.403 20 30 EGEDLO C=CCC1(CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)CCCC1 ZINC000459115987 458269163 /nfs/dbraw/zinc/26/91/63/458269163.db2.gz XJBDBNXKMYOREB-UHFFFAOYSA-N 1 2 330.476 3.497 20 30 EGEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000459130033 458272419 /nfs/dbraw/zinc/27/24/19/458272419.db2.gz ZNUGAZRVGYWABI-HNNXBMFYSA-N 1 2 337.427 3.233 20 30 EGEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000459130034 458272486 /nfs/dbraw/zinc/27/24/86/458272486.db2.gz ZNUGAZRVGYWABI-OAHLLOKOSA-N 1 2 337.427 3.233 20 30 EGEDLO COc1cccc(OCC[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000372345475 458284142 /nfs/dbraw/zinc/28/41/42/458284142.db2.gz KJJVEHMKLHNAPC-HXUWFJFHSA-N 1 2 338.407 3.019 20 30 EGEDLO COc1cccc(OCC[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000372345475 458284148 /nfs/dbraw/zinc/28/41/48/458284148.db2.gz KJJVEHMKLHNAPC-HXUWFJFHSA-N 1 2 338.407 3.019 20 30 EGEDLO CCc1cc(Cl)c(Cl)cc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414129582 458315493 /nfs/dbraw/zinc/31/54/93/458315493.db2.gz VFCPLCXIAJUEBP-GFCCVEGCSA-N 1 2 331.243 3.141 20 30 EGEDLO CCc1cc(Cl)c(Cl)cc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414129582 458315501 /nfs/dbraw/zinc/31/55/01/458315501.db2.gz VFCPLCXIAJUEBP-GFCCVEGCSA-N 1 2 331.243 3.141 20 30 EGEDLO COc1cc(C[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C2CC2)ccc1C#N ZINC000414480493 458319925 /nfs/dbraw/zinc/31/99/25/458319925.db2.gz BBJSMBUUSYTFRX-ZDUSSCGKSA-N 1 2 330.428 3.261 20 30 EGEDLO COc1cc(C[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C2CC2)ccc1C#N ZINC000414480493 458319927 /nfs/dbraw/zinc/31/99/27/458319927.db2.gz BBJSMBUUSYTFRX-ZDUSSCGKSA-N 1 2 330.428 3.261 20 30 EGEDLO C=CCCCS(=O)(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000416478764 458348076 /nfs/dbraw/zinc/34/80/76/458348076.db2.gz DMRBQEATUDTYQL-UHFFFAOYSA-N 1 2 333.457 3.065 20 30 EGEDLO COC(=O)[C@H](c1ccccc1C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376596658 458349561 /nfs/dbraw/zinc/34/95/61/458349561.db2.gz WHSSMFSZOVSIKD-IBGZPJMESA-N 1 2 349.434 3.162 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000419400065 458381935 /nfs/dbraw/zinc/38/19/35/458381935.db2.gz JXSASDUPFAGIPK-SFHVURJKSA-N 1 2 345.406 3.083 20 30 EGEDLO Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCC[N@@H+]1CCCC#N ZINC000373129077 458405023 /nfs/dbraw/zinc/40/50/23/458405023.db2.gz XCUNCPFHHJALCM-LJQANCHMSA-N 1 2 338.455 3.225 20 30 EGEDLO Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCC[N@H+]1CCCC#N ZINC000373129077 458405025 /nfs/dbraw/zinc/40/50/25/458405025.db2.gz XCUNCPFHHJALCM-LJQANCHMSA-N 1 2 338.455 3.225 20 30 EGEDLO Cc1cc(CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc(C)[nH+]1 ZINC000422216640 458426126 /nfs/dbraw/zinc/42/61/26/458426126.db2.gz VPWRKBYYFPDPAF-UHFFFAOYSA-N 1 2 334.423 3.444 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000437647357 458478427 /nfs/dbraw/zinc/47/84/27/458478427.db2.gz CJCCJZHUQSHRIF-OMCJBDSBSA-N 1 2 342.483 3.073 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+](C)Cc2cccc(C)n2)c(C#N)c1C ZINC000437901756 458509538 /nfs/dbraw/zinc/50/95/38/458509538.db2.gz MMJCNYBXMMAKQM-UHFFFAOYSA-N 1 2 328.441 3.011 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+](C)Cc2cccc(C)n2)c(C#N)c1C ZINC000437901756 458509543 /nfs/dbraw/zinc/50/95/43/458509543.db2.gz MMJCNYBXMMAKQM-UHFFFAOYSA-N 1 2 328.441 3.011 20 30 EGEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000373619652 458555399 /nfs/dbraw/zinc/55/53/99/458555399.db2.gz UFOLYHIWUYHODZ-UHFFFAOYSA-N 1 2 346.390 3.469 20 30 EGEDLO C=CCn1cc(C[NH2+]Cc2cc(Br)c(Cl)s2)nn1 ZINC000424171594 458576032 /nfs/dbraw/zinc/57/60/32/458576032.db2.gz LZJZXFTYJGBWMI-UHFFFAOYSA-N 1 2 347.669 3.231 20 30 EGEDLO C[C@@H]1[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCOC1(C)C ZINC000438594101 458604304 /nfs/dbraw/zinc/60/43/04/458604304.db2.gz FAVIXJLXHXMDTI-ZDUSSCGKSA-N 1 2 327.346 3.436 20 30 EGEDLO C[C@@H]1[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCOC1(C)C ZINC000438594101 458604310 /nfs/dbraw/zinc/60/43/10/458604310.db2.gz FAVIXJLXHXMDTI-ZDUSSCGKSA-N 1 2 327.346 3.436 20 30 EGEDLO C=CCn1cc(C[NH2+][C@H]2CCc3sc(Br)cc32)nn1 ZINC000424299468 458609307 /nfs/dbraw/zinc/60/93/07/458609307.db2.gz VGULZRJYKUQAJM-NSHDSACASA-N 1 2 339.262 3.065 20 30 EGEDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)s1 ZINC000424336663 458619429 /nfs/dbraw/zinc/61/94/29/458619429.db2.gz YDCQFKDBVZBLJY-VHSXEESVSA-N 1 2 333.388 3.352 20 30 EGEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000456005386 458626967 /nfs/dbraw/zinc/62/69/67/458626967.db2.gz YFFRXCKWXYMVEW-KRWDZBQOSA-N 1 2 336.439 3.017 20 30 EGEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000456262077 458635199 /nfs/dbraw/zinc/63/51/99/458635199.db2.gz KPSHPNHTRDFVST-SJORKVTESA-N 1 2 336.863 3.012 20 30 EGEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000456262077 458635206 /nfs/dbraw/zinc/63/52/06/458635206.db2.gz KPSHPNHTRDFVST-SJORKVTESA-N 1 2 336.863 3.012 20 30 EGEDLO C[C@@H](NC(=O)C[NH+]1CCC(F)(C#N)CC1)c1ccc2ccccc2c1 ZINC000510922177 458776224 /nfs/dbraw/zinc/77/62/24/458776224.db2.gz SUFDKPZDYHKJJW-OAHLLOKOSA-N 1 2 339.414 3.345 20 30 EGEDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)Cc2ccccc21 ZINC000441118552 458891301 /nfs/dbraw/zinc/89/13/01/458891301.db2.gz CDEZHOHFDXOVQJ-LJQANCHMSA-N 1 2 338.382 3.360 20 30 EGEDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)Cc2ccccc21 ZINC000441118552 458891306 /nfs/dbraw/zinc/89/13/06/458891306.db2.gz CDEZHOHFDXOVQJ-LJQANCHMSA-N 1 2 338.382 3.360 20 30 EGEDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)Cc2ccccc21 ZINC000441129080 458892304 /nfs/dbraw/zinc/89/23/04/458892304.db2.gz GAMBNRIZDSFDLD-GOSISDBHSA-N 1 2 338.382 3.360 20 30 EGEDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)Cc2ccccc21 ZINC000441129080 458892306 /nfs/dbraw/zinc/89/23/06/458892306.db2.gz GAMBNRIZDSFDLD-GOSISDBHSA-N 1 2 338.382 3.360 20 30 EGEDLO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000554565256 458899672 /nfs/dbraw/zinc/89/96/72/458899672.db2.gz ILMMIWDDXSMVHO-QGZVFWFLSA-N 1 2 348.450 3.274 20 30 EGEDLO C[NH+](C)Cc1csc(NC(=O)c2ccc(C(C)(C)C#N)cc2)n1 ZINC000457313880 458919601 /nfs/dbraw/zinc/91/96/01/458919601.db2.gz MILXOINJDVIHPO-UHFFFAOYSA-N 1 2 328.441 3.258 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000566428245 458929653 /nfs/dbraw/zinc/92/96/53/458929653.db2.gz CNZFBSMFETUJSE-UONOGXRCSA-N 1 2 330.457 3.301 20 30 EGEDLO Cn1cc[nH+]c1NN=C1C[C@@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000495956049 459018424 /nfs/dbraw/zinc/01/84/24/459018424.db2.gz ALFHZIQXONPBIE-CQSZACIVSA-N 1 2 341.415 3.206 20 30 EGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)NCCCCn1cc[nH+]c1 ZINC000566960657 459028414 /nfs/dbraw/zinc/02/84/14/459028414.db2.gz JYXNBNRFNYKEEI-GOSISDBHSA-N 1 2 326.444 3.150 20 30 EGEDLO CC[C@@]1(C)C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000442885337 459053824 /nfs/dbraw/zinc/05/38/24/459053824.db2.gz WJOZRBRETVQQEB-INIZCTEOSA-N 1 2 327.346 3.438 20 30 EGEDLO CC[C@@]1(C)C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000442885337 459053831 /nfs/dbraw/zinc/05/38/31/459053831.db2.gz WJOZRBRETVQQEB-INIZCTEOSA-N 1 2 327.346 3.438 20 30 EGEDLO CC(C)(CCC#N)CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000478771690 459108928 /nfs/dbraw/zinc/10/89/28/459108928.db2.gz PQXQSIXYVHMCOI-UHFFFAOYSA-N 1 2 339.443 3.061 20 30 EGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](Cc1ccc(C#N)cn1)C1CC1 ZINC000578334420 459184627 /nfs/dbraw/zinc/18/46/27/459184627.db2.gz NSCPFFKPEKQKHQ-HXUWFJFHSA-N 1 2 349.434 3.092 20 30 EGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](Cc1ccc(C#N)cn1)C1CC1 ZINC000578334420 459184633 /nfs/dbraw/zinc/18/46/33/459184633.db2.gz NSCPFFKPEKQKHQ-HXUWFJFHSA-N 1 2 349.434 3.092 20 30 EGEDLO C=CCC1(CNc2[nH+]cnc3c2cnn3-c2ncccn2)CCCC1 ZINC000578605190 459228349 /nfs/dbraw/zinc/22/83/49/459228349.db2.gz NGAMIMJGNVUNDQ-UHFFFAOYSA-N 1 2 335.415 3.154 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000481763620 459272424 /nfs/dbraw/zinc/27/24/24/459272424.db2.gz FHSAYSJNZQLFPD-IBGZPJMESA-N 1 2 345.874 3.484 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000481763620 459272427 /nfs/dbraw/zinc/27/24/27/459272427.db2.gz FHSAYSJNZQLFPD-IBGZPJMESA-N 1 2 345.874 3.484 20 30 EGEDLO C[C@@H]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@@H]2C#N)c2ccccc2S1 ZINC000590958838 459282745 /nfs/dbraw/zinc/28/27/45/459282745.db2.gz KPZFVILSDQTRAF-RBSFLKMASA-N 1 2 329.469 3.186 20 30 EGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cnc3ccccc3n2)CC1 ZINC000595375212 459287064 /nfs/dbraw/zinc/28/70/64/459287064.db2.gz AIFDFOWQJQIFSS-NRFANRHFSA-N 1 2 343.434 3.012 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+]2CCSC3(CCC3)CC2)c(C#N)c1C ZINC000591041780 459299017 /nfs/dbraw/zinc/29/90/17/459299017.db2.gz QYQPFYQQVJFKIK-UHFFFAOYSA-N 1 2 333.457 3.068 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+]2CCSC3(CCC3)CC2)c(C#N)c1C ZINC000591041780 459299021 /nfs/dbraw/zinc/29/90/21/459299021.db2.gz QYQPFYQQVJFKIK-UHFFFAOYSA-N 1 2 333.457 3.068 20 30 EGEDLO C=CCOC[C@H]([NH2+][C@@H]1C[C@H](C)C[C@H](c2ccccc2)C1)C(=O)OC ZINC000482459035 459310174 /nfs/dbraw/zinc/31/01/74/459310174.db2.gz YQQQOJMBGZESBY-LULLPPNCSA-N 1 2 331.456 3.293 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1(C)C ZINC000591083934 459310725 /nfs/dbraw/zinc/31/07/25/459310725.db2.gz XLIIILVCHKKADE-BBWFWOEESA-N 1 2 334.423 3.005 20 30 EGEDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cccc(F)c1C#N ZINC000496761808 459314957 /nfs/dbraw/zinc/31/49/57/459314957.db2.gz YDMMYMNRETVBEA-LRDDRELGSA-N 1 2 333.407 3.185 20 30 EGEDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cccc(F)c1C#N ZINC000496761808 459314960 /nfs/dbraw/zinc/31/49/60/459314960.db2.gz YDMMYMNRETVBEA-LRDDRELGSA-N 1 2 333.407 3.185 20 30 EGEDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@](C)(C#N)C(C)C)cc1F ZINC000595747188 459424630 /nfs/dbraw/zinc/42/46/30/459424630.db2.gz HKXDOGNGCVAXEM-VQIMIIECSA-N 1 2 347.434 3.026 20 30 EGEDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N[C@](C)(C#N)C(C)C)cc1F ZINC000595747188 459424637 /nfs/dbraw/zinc/42/46/37/459424637.db2.gz HKXDOGNGCVAXEM-VQIMIIECSA-N 1 2 347.434 3.026 20 30 EGEDLO Cc1nsc(Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)c1C#N ZINC000583343406 459524440 /nfs/dbraw/zinc/52/44/40/459524440.db2.gz VZEOMMLCLRDPNH-GHMZBOCLSA-N 1 2 329.429 3.075 20 30 EGEDLO Cc1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)ccc1Cl ZINC000562375667 459548550 /nfs/dbraw/zinc/54/85/50/459548550.db2.gz ZEQOKVAXOHOUPT-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO COC(=O)[C@H]([NH2+]CCC1(C#N)CCCCC1)[C@H]1CCC[C@H](OC)C1 ZINC000570165995 459553822 /nfs/dbraw/zinc/55/38/22/459553822.db2.gz HNEXORZRPDZNQT-YESZJQIVSA-N 1 2 336.476 3.187 20 30 EGEDLO C[NH+](C)[C@@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)c1c(F)cccc1F ZINC000571867173 459573842 /nfs/dbraw/zinc/57/38/42/459573842.db2.gz DNMJNHDUBXXDON-KXBFYZLASA-N 1 2 347.409 3.158 20 30 EGEDLO C#C[C@H](CC)[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000491348687 459619291 /nfs/dbraw/zinc/61/92/91/459619291.db2.gz DXDSRLBEFWMZNB-CQSZACIVSA-N 1 2 331.416 3.468 20 30 EGEDLO C#C[C@H](C)[N@H+](C)Cc1nc(-c2ccc(Br)s2)no1 ZINC000491682264 459653575 /nfs/dbraw/zinc/65/35/75/459653575.db2.gz QYQBKZQYVIMYNG-QMMMGPOBSA-N 1 2 326.219 3.014 20 30 EGEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(-c2ccc(Br)s2)no1 ZINC000491682264 459653579 /nfs/dbraw/zinc/65/35/79/459653579.db2.gz QYQBKZQYVIMYNG-QMMMGPOBSA-N 1 2 326.219 3.014 20 30 EGEDLO C#CCN(C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C1CC1 ZINC000491715214 459660040 /nfs/dbraw/zinc/66/00/40/459660040.db2.gz OURDAYMOZPGBDT-LJQANCHMSA-N 1 2 336.439 3.048 20 30 EGEDLO Cc1cccc2[nH+]c(CCNC(=O)C[C@H](CC#N)c3ccccc3)cn21 ZINC000592745545 459682439 /nfs/dbraw/zinc/68/24/39/459682439.db2.gz ISCONIIHQSKROE-SFHVURJKSA-N 1 2 346.434 3.389 20 30 EGEDLO Cc1cc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)ccc1C#N ZINC000593040596 459752274 /nfs/dbraw/zinc/75/22/74/459752274.db2.gz KFXOAJARAVWZCO-OAQYLSRUSA-N 1 2 345.446 3.072 20 30 EGEDLO Cc1cc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)ccc1C#N ZINC000593040596 459752276 /nfs/dbraw/zinc/75/22/76/459752276.db2.gz KFXOAJARAVWZCO-OAQYLSRUSA-N 1 2 345.446 3.072 20 30 EGEDLO COC(=O)c1cccc(C[NH2+][C@@H](c2nc(C)cs2)C2CC2)c1C#N ZINC000544438196 459760676 /nfs/dbraw/zinc/76/06/76/459760676.db2.gz FUNYFKWXBLGVED-MRXNPFEDSA-N 1 2 341.436 3.351 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cn(-c3ccc(F)cc3Cl)nn2)C1 ZINC000597178496 459863574 /nfs/dbraw/zinc/86/35/74/459863574.db2.gz YSCSDJAEQDXQSS-GFCCVEGCSA-N 1 2 333.798 3.185 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](Cc2cn(-c3ccc(F)cc3Cl)nn2)C1 ZINC000597178496 459863579 /nfs/dbraw/zinc/86/35/79/459863579.db2.gz YSCSDJAEQDXQSS-GFCCVEGCSA-N 1 2 333.798 3.185 20 30 EGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](c1nccn1C)C1CC1 ZINC000602451621 459945564 /nfs/dbraw/zinc/94/55/64/459945564.db2.gz BTBRANVVNVDEET-KRWDZBQOSA-N 1 2 326.400 3.468 20 30 EGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](c1nccn1C)C1CC1 ZINC000602451621 459945565 /nfs/dbraw/zinc/94/55/65/459945565.db2.gz BTBRANVVNVDEET-KRWDZBQOSA-N 1 2 326.400 3.468 20 30 EGEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCc2sc(Br)cc2C1 ZINC000598596582 459958213 /nfs/dbraw/zinc/95/82/13/459958213.db2.gz LSTAAIAIZNDMGN-NSHDSACASA-N 1 2 343.290 3.169 20 30 EGEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCc2sc(Br)cc2C1 ZINC000598596582 459958220 /nfs/dbraw/zinc/95/82/20/459958220.db2.gz LSTAAIAIZNDMGN-NSHDSACASA-N 1 2 343.290 3.169 20 30 EGEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000609485636 459969698 /nfs/dbraw/zinc/96/96/98/459969698.db2.gz UIJGWKQNWKUVQU-INIZCTEOSA-N 1 2 325.378 3.371 20 30 EGEDLO COC(=O)c1cc(C[N@H+](CCC#N)CCC(C)C)n2c1CCCC2 ZINC000598671212 459986910 /nfs/dbraw/zinc/98/69/10/459986910.db2.gz UXFIDAFHALXHDL-UHFFFAOYSA-N 1 2 331.460 3.373 20 30 EGEDLO COC(=O)c1cc(C[N@@H+](CCC#N)CCC(C)C)n2c1CCCC2 ZINC000598671212 459986914 /nfs/dbraw/zinc/98/69/14/459986914.db2.gz UXFIDAFHALXHDL-UHFFFAOYSA-N 1 2 331.460 3.373 20 30 EGEDLO CC(C)C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccc(Cl)cc1 ZINC000598836569 460058982 /nfs/dbraw/zinc/05/89/82/460058982.db2.gz NCDYZUSRLSOMQM-AEFFLSMTSA-N 1 2 335.879 3.430 20 30 EGEDLO C=CCC[C@@H]([NH2+][C@H]1CCc2cc(OC)c(OC)cc21)C(=O)OCC ZINC000602681329 460063005 /nfs/dbraw/zinc/06/30/05/460063005.db2.gz OLMCTMSQXBPWRZ-JKSUJKDBSA-N 1 2 333.428 3.179 20 30 EGEDLO C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1cccc(C#N)c1 ZINC000610347264 460128249 /nfs/dbraw/zinc/12/82/49/460128249.db2.gz HTSMPHUAUADNQR-HNNXBMFYSA-N 1 2 349.438 3.114 20 30 EGEDLO N#CCC1(C[NH+]2CCN(C(=O)c3cc4ccccc4s3)CC2)CC1 ZINC000602819459 460143160 /nfs/dbraw/zinc/14/31/60/460143160.db2.gz CDWXHKPXXOLSSD-UHFFFAOYSA-N 1 2 339.464 3.353 20 30 EGEDLO C[C@H](CC#N)[NH2+]CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000602867476 460165521 /nfs/dbraw/zinc/16/55/21/460165521.db2.gz CLCYIQMGFKGHBD-OXQOHEQNSA-N 1 2 333.435 3.052 20 30 EGEDLO C[C@@H](CC#N)[NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000602867104 460165548 /nfs/dbraw/zinc/16/55/48/460165548.db2.gz BJMKRGPRPFNYSE-NSHDSACASA-N 1 2 331.217 3.298 20 30 EGEDLO CC1(C)C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@H]1c1ccco1 ZINC000602925717 460189516 /nfs/dbraw/zinc/18/95/16/460189516.db2.gz LGUJENLYNDAYSA-WMZOPIPTSA-N 1 2 335.407 3.340 20 30 EGEDLO CC1(C)C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@H]1c1ccco1 ZINC000602925717 460189520 /nfs/dbraw/zinc/18/95/20/460189520.db2.gz LGUJENLYNDAYSA-WMZOPIPTSA-N 1 2 335.407 3.340 20 30 EGEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cc(O)ccc2Cl)CC1 ZINC000599330061 460230365 /nfs/dbraw/zinc/23/03/65/460230365.db2.gz USVZKEHVNGIZCV-LJQANCHMSA-N 1 2 341.842 3.428 20 30 EGEDLO N#C[C@]1(F)CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000615535903 460343197 /nfs/dbraw/zinc/34/31/97/460343197.db2.gz ZIPUNFYSNDCUHR-QGZVFWFLSA-N 1 2 326.331 3.343 20 30 EGEDLO C=CCC[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000615535447 460343408 /nfs/dbraw/zinc/34/34/08/460343408.db2.gz BRQMSKWRSDNFAZ-WOJBJXKFSA-N 1 2 342.483 3.060 20 30 EGEDLO N#Cc1cccc(Oc2ccc(NC(=O)CCc3c[nH+]c[nH]3)cn2)c1 ZINC000619428180 460353651 /nfs/dbraw/zinc/35/36/51/460353651.db2.gz JNTGBUYVBQBDHA-UHFFFAOYSA-N 1 2 333.351 3.040 20 30 EGEDLO N#Cc1cccc(Oc2ccc(NC(=O)CCc3c[nH]c[nH+]3)cn2)c1 ZINC000619428180 460353659 /nfs/dbraw/zinc/35/36/59/460353659.db2.gz JNTGBUYVBQBDHA-UHFFFAOYSA-N 1 2 333.351 3.040 20 30 EGEDLO CC(C)(CC#N)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000600000520 460368628 /nfs/dbraw/zinc/36/86/28/460368628.db2.gz BUWXITSOTALPSP-INIZCTEOSA-N 1 2 333.863 3.360 20 30 EGEDLO CC(C)(CC#N)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000600000520 460368631 /nfs/dbraw/zinc/36/86/31/460368631.db2.gz BUWXITSOTALPSP-INIZCTEOSA-N 1 2 333.863 3.360 20 30 EGEDLO CC(C)(CC#N)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000600000521 460369051 /nfs/dbraw/zinc/36/90/51/460369051.db2.gz BUWXITSOTALPSP-MRXNPFEDSA-N 1 2 333.863 3.360 20 30 EGEDLO CC(C)(CC#N)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000600000521 460369053 /nfs/dbraw/zinc/36/90/53/460369053.db2.gz BUWXITSOTALPSP-MRXNPFEDSA-N 1 2 333.863 3.360 20 30 EGEDLO N#CCCN1CC[NH+](Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000619511152 460372459 /nfs/dbraw/zinc/37/24/59/460372459.db2.gz RAKNTGDTVQWHIE-UHFFFAOYSA-N 1 2 333.863 3.160 20 30 EGEDLO CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000615759741 460386852 /nfs/dbraw/zinc/38/68/52/460386852.db2.gz SYNWMCSBTNWBIF-WBVHZDCISA-N 1 2 336.439 3.124 20 30 EGEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000611550401 460396071 /nfs/dbraw/zinc/39/60/71/460396071.db2.gz DUXXEGMKJKEXJI-LJQANCHMSA-N 1 2 345.368 3.486 20 30 EGEDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000611554070 460397340 /nfs/dbraw/zinc/39/73/40/460397340.db2.gz CXOKXRNLVJCZIM-DGCLKSJQSA-N 1 2 325.334 3.160 20 30 EGEDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000611554070 460397342 /nfs/dbraw/zinc/39/73/42/460397342.db2.gz CXOKXRNLVJCZIM-DGCLKSJQSA-N 1 2 325.334 3.160 20 30 EGEDLO Cc1[nH+]c2cc(NC(=O)c3ccccc3CC#N)ccc2n1[C@H](C)CO ZINC000601623334 460849570 /nfs/dbraw/zinc/84/95/70/460849570.db2.gz JURHAELXSIBXBL-CYBMUJFWSA-N 1 2 348.406 3.216 20 30 EGEDLO C=CCC1(NC(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CCOCC1 ZINC000665975067 461384042 /nfs/dbraw/zinc/38/40/42/461384042.db2.gz CMJSTBPBVGFMDF-UHFFFAOYSA-N 1 2 340.427 3.334 20 30 EGEDLO C=CCOc1ccc(C[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cc1Cl ZINC000655820192 461475801 /nfs/dbraw/zinc/47/58/01/461475801.db2.gz SFNCQDFDRLVPCF-HNNXBMFYSA-N 1 2 348.834 3.164 20 30 EGEDLO C=CCCn1cc(C[N@@H+](C)Cc2cccc(Br)c2)nn1 ZINC000653504495 461679585 /nfs/dbraw/zinc/67/95/85/461679585.db2.gz XMENYFBSEDCRKP-UHFFFAOYSA-N 1 2 335.249 3.249 20 30 EGEDLO C=CCCn1cc(C[N@H+](C)Cc2cccc(Br)c2)nn1 ZINC000653504495 461679594 /nfs/dbraw/zinc/67/95/94/461679594.db2.gz XMENYFBSEDCRKP-UHFFFAOYSA-N 1 2 335.249 3.249 20 30 EGEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)nn1 ZINC000653566807 461725278 /nfs/dbraw/zinc/72/52/78/461725278.db2.gz KYVRSNVBVCILHH-HXUWFJFHSA-N 1 2 340.471 3.078 20 30 EGEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)nn1 ZINC000653566807 461725288 /nfs/dbraw/zinc/72/52/88/461725288.db2.gz KYVRSNVBVCILHH-HXUWFJFHSA-N 1 2 340.471 3.078 20 30 EGEDLO C=CCCn1cc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)nn1 ZINC000653762072 461846778 /nfs/dbraw/zinc/84/67/78/461846778.db2.gz SFHIMLSXTMPUHK-IBGZPJMESA-N 1 2 338.455 3.208 20 30 EGEDLO C=CCCn1cc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)nn1 ZINC000653762072 461846784 /nfs/dbraw/zinc/84/67/84/461846784.db2.gz SFHIMLSXTMPUHK-IBGZPJMESA-N 1 2 338.455 3.208 20 30 EGEDLO C=CCCn1cc(C[NH2+]Cc2ccc(OC)cc2C(F)(F)F)nn1 ZINC000657343189 462059426 /nfs/dbraw/zinc/05/94/26/462059426.db2.gz XICZMJSHUKHPGT-UHFFFAOYSA-N 1 2 340.349 3.171 20 30 EGEDLO COc1cc(C[N@H+](C)Cc2cccc(C#N)c2)c([N+](=O)[O-])cc1OC ZINC000130763420 533788194 /nfs/dbraw/zinc/78/81/94/533788194.db2.gz DIALRICFZQKRHN-UHFFFAOYSA-N 1 2 341.367 3.116 20 30 EGEDLO COc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)c([N+](=O)[O-])cc1OC ZINC000130763420 533788203 /nfs/dbraw/zinc/78/82/03/533788203.db2.gz DIALRICFZQKRHN-UHFFFAOYSA-N 1 2 341.367 3.116 20 30 EGEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000170707771 526911021 /nfs/dbraw/zinc/91/10/21/526911021.db2.gz APPNLGPWUXZTCR-UHFFFAOYSA-N 1 2 340.431 3.180 20 30 EGEDLO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000186924296 527934729 /nfs/dbraw/zinc/93/47/29/527934729.db2.gz FNXTUZKRVXIATM-CQSZACIVSA-N 1 2 333.863 3.340 20 30 EGEDLO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000186924296 527934734 /nfs/dbraw/zinc/93/47/34/527934734.db2.gz FNXTUZKRVXIATM-CQSZACIVSA-N 1 2 333.863 3.340 20 30 EGEDLO COc1ccccc1-c1noc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)n1 ZINC000364303788 536974309 /nfs/dbraw/zinc/97/43/09/536974309.db2.gz ORRYTKZDGDUQEW-CYBMUJFWSA-N 1 2 334.379 3.468 20 30 EGEDLO CO[C@H]1C[C@@H](C(=O)NCc2nc3cc(Cl)ccc3s2)[N@H+](C)C1 ZINC000328977817 547488790 /nfs/dbraw/zinc/48/87/90/547488790.db2.gz WVKPFBMYJGZMKP-JQWIXIFHSA-N 1 2 339.848 3.125 20 30 EGEDLO CO[C@H]1C[C@@H](C(=O)NCc2nc3cc(Cl)ccc3s2)[N@@H+](C)C1 ZINC000328977817 547488795 /nfs/dbraw/zinc/48/87/95/547488795.db2.gz WVKPFBMYJGZMKP-JQWIXIFHSA-N 1 2 339.848 3.125 20 30 EGEDLO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000333617172 547539089 /nfs/dbraw/zinc/53/90/89/547539089.db2.gz PBIIUYXPNUKJKU-NZVBXONLSA-N 1 2 338.238 3.381 20 30 EGEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)N(c1nccs1)C1CCCCC1 ZINC000333628558 547539686 /nfs/dbraw/zinc/53/96/86/547539686.db2.gz QRRJKYFOTJIAKB-SQWLQELKSA-N 1 2 346.500 3.479 20 30 EGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)c1cc(-n2cc[nH+]c2)ncn1 ZINC000672328751 548424266 /nfs/dbraw/zinc/42/42/66/548424266.db2.gz MYDFWFLCWPLQSQ-UHFFFAOYSA-N 1 2 337.431 3.022 20 30 EGEDLO C=C(C)C[N@@H+](CC)Cc1cn(-c2ccccc2Br)nn1 ZINC000685832717 550445990 /nfs/dbraw/zinc/44/59/90/550445990.db2.gz WHJSWKMSBWXZFO-UHFFFAOYSA-N 1 2 335.249 3.428 20 30 EGEDLO C=C(C)C[N@H+](CC)Cc1cn(-c2ccccc2Br)nn1 ZINC000685832717 550445991 /nfs/dbraw/zinc/44/59/91/550445991.db2.gz WHJSWKMSBWXZFO-UHFFFAOYSA-N 1 2 335.249 3.428 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2)c1=S ZINC000726181234 574544153 /nfs/dbraw/zinc/54/41/53/574544153.db2.gz JQLJKIUKDVXBPU-MRXNPFEDSA-N 1 2 329.473 3.050 20 30 EGEDLO C=CCn1nnn(C[N@H+]2CCCC[C@@H]2Cc2ccccc2)c1=S ZINC000726181234 574544154 /nfs/dbraw/zinc/54/41/54/574544154.db2.gz JQLJKIUKDVXBPU-MRXNPFEDSA-N 1 2 329.473 3.050 20 30 EGEDLO Fc1ccc(N[NH+]=Cc2ccc(N3CCOCC3)c(F)c2)c(F)c1 ZINC000727252353 574655791 /nfs/dbraw/zinc/65/57/91/574655791.db2.gz VIIWEZXKCYJUPC-UHFFFAOYSA-N 1 2 335.329 3.387 20 30 EGEDLO Fc1cc(C=[NH+]Nc2ncccc2Cl)ccc1N1CCOCC1 ZINC000727255165 574655971 /nfs/dbraw/zinc/65/59/71/574655971.db2.gz JQETWIJSEDMFPP-UHFFFAOYSA-N 1 2 334.782 3.157 20 30 EGEDLO CCN1c2ccc(C)cc2C(=NNc2cc[nH+]c3ccccc23)C1=O ZINC000730147413 574925358 /nfs/dbraw/zinc/92/53/58/574925358.db2.gz DYBDJZAOQYSGFN-UHFFFAOYSA-N 1 2 330.391 3.148 20 30 EGEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c1=S ZINC000730456115 574989259 /nfs/dbraw/zinc/98/92/59/574989259.db2.gz YCAPKDDQDCQFCU-AWEZNQCLSA-N 1 2 332.448 3.495 20 30 EGEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@H](c3ccccc3F)C2)c1=S ZINC000730456115 574989260 /nfs/dbraw/zinc/98/92/60/574989260.db2.gz YCAPKDDQDCQFCU-AWEZNQCLSA-N 1 2 332.448 3.495 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000732055508 575234611 /nfs/dbraw/zinc/23/46/11/575234611.db2.gz PNNWCPJNYCBTRY-NRFANRHFSA-N 1 2 328.415 3.123 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000732055508 575234614 /nfs/dbraw/zinc/23/46/14/575234614.db2.gz PNNWCPJNYCBTRY-NRFANRHFSA-N 1 2 328.415 3.123 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(Nc2nc(C)cs2)c1 ZINC000732061542 575235562 /nfs/dbraw/zinc/23/55/62/575235562.db2.gz OEKGCKZBBVNASP-INIZCTEOSA-N 1 2 340.452 3.231 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(Nc2nc(C)cs2)c1 ZINC000732061542 575235564 /nfs/dbraw/zinc/23/55/64/575235564.db2.gz OEKGCKZBBVNASP-INIZCTEOSA-N 1 2 340.452 3.231 20 30 EGEDLO C=CC1CC[NH+](Cn2nnn(-c3ccc(Cl)cc3)c2=S)CC1 ZINC000732180823 575241708 /nfs/dbraw/zinc/24/17/08/575241708.db2.gz DKIIGBOIKDQUME-UHFFFAOYSA-N 1 2 335.864 3.307 20 30 EGEDLO C=CC[C@H](NC(=O)NCc1cn2cc(C)ccc2[nH+]1)c1ccncc1 ZINC000734661778 575533561 /nfs/dbraw/zinc/53/35/61/575533561.db2.gz QIMFURJFGVLSRY-KRWDZBQOSA-N 1 2 335.411 3.154 20 30 EGEDLO Cc1ccc(-c2noc(CO[NH+]=C(N)c3ccc(F)c(C)c3)n2)cc1 ZINC000063457724 1292009754 /nfs/dbraw/zinc/00/97/54/1292009754.db2.gz SLSRSOWQBDFLLJ-UHFFFAOYSA-N 1 2 340.358 3.330 20 30 EGEDLO C#CCC[C@@H](O)CNc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000828081239 1292427908 /nfs/dbraw/zinc/42/79/08/1292427908.db2.gz REZMAKFBXMCRCX-SNVBAGLBSA-N 1 2 337.192 3.323 20 30 EGEDLO C#CC1CC[NH+]([C@H](C)C(=O)Nc2c3ccccc3oc2C(C)=O)CC1 ZINC000830334152 1292707113 /nfs/dbraw/zinc/70/71/13/1292707113.db2.gz ZUCOAHKPIXGOJT-CYBMUJFWSA-N 1 2 338.407 3.308 20 30 EGEDLO C#CC1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000831103911 1292809560 /nfs/dbraw/zinc/80/95/60/1292809560.db2.gz JQGSBTDPCDLJBJ-CQSZACIVSA-N 1 2 346.500 3.252 20 30 EGEDLO C#CC1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000831103911 1292809571 /nfs/dbraw/zinc/80/95/71/1292809571.db2.gz JQGSBTDPCDLJBJ-CQSZACIVSA-N 1 2 346.500 3.252 20 30 EGEDLO Fc1ccccc1-c1ncc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)s1 ZINC000834966744 1293181843 /nfs/dbraw/zinc/18/18/43/1293181843.db2.gz RYIZYUBAWDPGKP-GASCZTMLSA-N 1 2 343.431 3.143 20 30 EGEDLO CC(=[NH+]NCc1ccccc1F)c1c(F)cccc1N1CCOCC1 ZINC000835012550 1293187676 /nfs/dbraw/zinc/18/76/76/1293187676.db2.gz ZCCOIHMJJJLZTO-UHFFFAOYSA-N 1 2 345.393 3.315 20 30 EGEDLO CCSCCO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000155082288 1294083214 /nfs/dbraw/zinc/08/32/14/1294083214.db2.gz NRUXVZCKNGAJRK-UHFFFAOYSA-N 1 2 331.441 3.051 20 30 EGEDLO C=CCn1c(C)nn(C[N@@H+](C)[C@@H]2CC[C@@H](SCC)C2)c1=S ZINC000173486656 1294464062 /nfs/dbraw/zinc/46/40/62/1294464062.db2.gz FKMKEXYDJIKYBM-ZIAGYGMSSA-N 1 2 326.535 3.472 20 30 EGEDLO C=CCn1c(C)nn(C[N@H+](C)[C@@H]2CC[C@@H](SCC)C2)c1=S ZINC000173486656 1294464064 /nfs/dbraw/zinc/46/40/64/1294464064.db2.gz FKMKEXYDJIKYBM-ZIAGYGMSSA-N 1 2 326.535 3.472 20 30 EGEDLO N#Cc1ccccc1N1CC[NH+](C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000174776178 1294522763 /nfs/dbraw/zinc/52/27/63/1294522763.db2.gz XWCAVVIPICCUBT-LJQANCHMSA-N 1 2 341.842 3.067 20 30 EGEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2C[C@@H](C)OC(C)(C)C2)cc1 ZINC000250117027 1296455200 /nfs/dbraw/zinc/45/52/00/1296455200.db2.gz QWFAZCPOLIQINS-IAGOWNOFSA-N 1 2 343.471 3.130 20 30 EGEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2C[C@@H](C)OC(C)(C)C2)cc1 ZINC000250117027 1296455202 /nfs/dbraw/zinc/45/52/02/1296455202.db2.gz QWFAZCPOLIQINS-IAGOWNOFSA-N 1 2 343.471 3.130 20 30 EGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)/C=C\c2ccccc2C#N)c1C ZINC000255416191 1296530759 /nfs/dbraw/zinc/53/07/59/1296530759.db2.gz JMCSMZKEIUKHDL-KTKRTIGZSA-N 1 2 335.407 3.251 20 30 EGEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CC[C@H](C)C2)c1=S ZINC000725779589 1298358957 /nfs/dbraw/zinc/35/89/57/1298358957.db2.gz SMRWQLCEJGSLIT-HNNXBMFYSA-N 1 2 328.485 3.490 20 30 EGEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CC[C@H](C)C2)c1=S ZINC000725779589 1298358968 /nfs/dbraw/zinc/35/89/68/1298358968.db2.gz SMRWQLCEJGSLIT-HNNXBMFYSA-N 1 2 328.485 3.490 20 30 EGEDLO C[C@H](O[NH+]=C(N)c1ccc(F)cc1)c1nnc(-c2cccs2)o1 ZINC000747864957 1298873472 /nfs/dbraw/zinc/87/34/72/1298873472.db2.gz VCYFJZASHORMOO-VIFPVBQESA-N 1 2 332.360 3.335 20 30 EGEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3ccc(N4CCOC4=O)cc3)n21 ZINC000748999351 1299122669 /nfs/dbraw/zinc/12/26/69/1299122669.db2.gz VXEHHNDHZXVIGU-KTKRTIGZSA-N 1 2 347.374 3.495 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000749942597 1299306759 /nfs/dbraw/zinc/30/67/59/1299306759.db2.gz BRRWIELYKNEJMG-RBUKOAKNSA-N 1 2 328.456 3.432 20 30 EGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000749942597 1299306768 /nfs/dbraw/zinc/30/67/68/1299306768.db2.gz BRRWIELYKNEJMG-RBUKOAKNSA-N 1 2 328.456 3.432 20 30 EGEDLO Fc1cccc(F)c1-c1ccc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)o1 ZINC000753935371 1300046093 /nfs/dbraw/zinc/04/60/93/1300046093.db2.gz NZGCYFBOEJKXIG-GJZGRUSLSA-N 1 2 344.365 3.419 20 30 EGEDLO C#C[C@H](NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C(C)(C)C ZINC000878626713 1300114804 /nfs/dbraw/zinc/11/48/04/1300114804.db2.gz GPEDVSWDQAYMJZ-YJBOKZPZSA-N 1 2 343.471 3.249 20 30 EGEDLO CC(=[NH+]Nc1ccncc1Cl)c1ccc(N2CCCC2)cc1O ZINC000756837812 1300573802 /nfs/dbraw/zinc/57/38/02/1300573802.db2.gz DONRHGZLHFTKKA-UHFFFAOYSA-N 1 2 330.819 3.299 20 30 EGEDLO Cc1cccc(Cl)c1NC(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000756914363 1300588582 /nfs/dbraw/zinc/58/85/82/1300588582.db2.gz JWHPPFRRVOHJCG-UHFFFAOYSA-N 1 2 335.766 3.063 20 30 EGEDLO N#CCCNC(=O)C[NH2+][C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000759770805 1301159794 /nfs/dbraw/zinc/15/97/94/1301159794.db2.gz SQSWMCKMBNWHMN-GOSISDBHSA-N 1 2 345.805 3.188 20 30 EGEDLO COc1cc(F)c(C(=O)/C=C/c2c[nH+]c3ccccn23)cc1OC ZINC000760264770 1301242430 /nfs/dbraw/zinc/24/24/30/1301242430.db2.gz MRVQQSOGXXKXRY-VOTSOKGWSA-N 1 2 326.327 3.387 20 30 EGEDLO C#CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1 ZINC000760856733 1301351503 /nfs/dbraw/zinc/35/15/03/1301351503.db2.gz MCLRGGFBRJQCDM-UHFFFAOYSA-N 1 2 327.815 3.199 20 30 EGEDLO C#CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1 ZINC000760856733 1301351511 /nfs/dbraw/zinc/35/15/11/1301351511.db2.gz MCLRGGFBRJQCDM-UHFFFAOYSA-N 1 2 327.815 3.199 20 30 EGEDLO N#Cc1cnc(NCCCCNc2cccc[nH+]2)c(Br)c1 ZINC000881907535 1301754315 /nfs/dbraw/zinc/75/43/15/1301754315.db2.gz PNPOMKPNFUWIKY-UHFFFAOYSA-N 1 2 346.232 3.415 20 30 EGEDLO C#CC[N@@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)C1CC1 ZINC000763949267 1301986932 /nfs/dbraw/zinc/98/69/32/1301986932.db2.gz JEAYKZZYTLWGCV-UHFFFAOYSA-N 1 2 340.423 3.154 20 30 EGEDLO C#CC[N@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)C1CC1 ZINC000763949267 1301986936 /nfs/dbraw/zinc/98/69/36/1301986936.db2.gz JEAYKZZYTLWGCV-UHFFFAOYSA-N 1 2 340.423 3.154 20 30 EGEDLO C[C@@H]1CC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C[C@@H]1C ZINC000766984820 1302558009 /nfs/dbraw/zinc/55/80/09/1302558009.db2.gz MTZYHFVTYOSSKP-HZSPNIEDSA-N 1 2 327.453 3.450 20 30 EGEDLO C[C@@H]1CC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C[C@@H]1C ZINC000766984820 1302558017 /nfs/dbraw/zinc/55/80/17/1302558017.db2.gz MTZYHFVTYOSSKP-HZSPNIEDSA-N 1 2 327.453 3.450 20 30 EGEDLO N#Cc1ccc(C2=CC[N@H+](CN3C(=O)[C@@H]4CCCCC[C@H]43)CC2)cc1 ZINC000767987348 1302798678 /nfs/dbraw/zinc/79/86/78/1302798678.db2.gz PYOGLMWWMIZGDG-WOJBJXKFSA-N 1 2 335.451 3.396 20 30 EGEDLO N#Cc1ccc(C2=CC[N@@H+](CN3C(=O)[C@@H]4CCCCC[C@H]43)CC2)cc1 ZINC000767987348 1302798679 /nfs/dbraw/zinc/79/86/79/1302798679.db2.gz PYOGLMWWMIZGDG-WOJBJXKFSA-N 1 2 335.451 3.396 20 30 EGEDLO C#CCCOc1ccc(C[NH+]2CCN(C(=O)C(CC)CC)CC2)cc1 ZINC000768333692 1302882770 /nfs/dbraw/zinc/88/27/70/1302882770.db2.gz GONVKTRFFUBOAR-UHFFFAOYSA-N 1 2 342.483 3.169 20 30 EGEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cc(OC)c(OC)cc1OC ZINC000769146309 1303055954 /nfs/dbraw/zinc/05/59/54/1303055954.db2.gz SHYRRIWWTPOCKK-UHFFFAOYSA-N 1 2 343.398 3.487 20 30 EGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(OC)c(OC)cc1OC ZINC000769146309 1303055961 /nfs/dbraw/zinc/05/59/61/1303055961.db2.gz SHYRRIWWTPOCKK-UHFFFAOYSA-N 1 2 343.398 3.487 20 30 EGEDLO C=CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2c(C)cccc2Cl)CC1 ZINC000886780739 1303596820 /nfs/dbraw/zinc/59/68/20/1303596820.db2.gz YGWBGZBGEWLUOQ-CQSZACIVSA-N 1 2 336.863 3.378 20 30 EGEDLO C#CC[C@H]([NH2+]Cc1csc(CC(=O)OC(C)C)n1)c1ccccc1 ZINC000775399517 1303956228 /nfs/dbraw/zinc/95/62/28/1303956228.db2.gz IGGWMJYWIPEKDU-KRWDZBQOSA-N 1 2 342.464 3.491 20 30 EGEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(C#N)ccc1F ZINC000888355971 1304129029 /nfs/dbraw/zinc/12/90/29/1304129029.db2.gz ZLYZVKIPJRJXLO-OAHLLOKOSA-N 1 2 329.379 3.130 20 30 EGEDLO C=CC(C)(C)CC(=O)NC1(c2noc(C[NH+](CC)CC)n2)CCCC1 ZINC000889381344 1304463045 /nfs/dbraw/zinc/46/30/45/1304463045.db2.gz UGEHEXHGCWWFNL-UHFFFAOYSA-N 1 2 348.491 3.399 20 30 EGEDLO Oc1ccc(Br)cc1/C=N/Cc1c[nH+]c2n1CCCC2 ZINC000790576326 1306354913 /nfs/dbraw/zinc/35/49/13/1306354913.db2.gz XLJFYOMJHUPJIS-CAOOACKPSA-N 1 2 334.217 3.307 20 30 EGEDLO C#C[C@H](CCC)NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000791742553 1309054756 /nfs/dbraw/zinc/05/47/56/1309054756.db2.gz ICJTTWNTQNPYLN-OAHLLOKOSA-N 1 2 335.451 3.145 20 30 EGEDLO C#C[C@H](CCC)NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000791742553 1309054763 /nfs/dbraw/zinc/05/47/63/1309054763.db2.gz ICJTTWNTQNPYLN-OAHLLOKOSA-N 1 2 335.451 3.145 20 30 EGEDLO C#CC[N@@H+](C)CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000792305254 1309157728 /nfs/dbraw/zinc/15/77/28/1309157728.db2.gz GLHDQSXFEUQING-LJQANCHMSA-N 1 2 326.827 3.111 20 30 EGEDLO C#CC[N@H+](C)CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000792305254 1309157734 /nfs/dbraw/zinc/15/77/34/1309157734.db2.gz GLHDQSXFEUQING-LJQANCHMSA-N 1 2 326.827 3.111 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895227959 1309247048 /nfs/dbraw/zinc/24/70/48/1309247048.db2.gz HBMLFDLLMOWOHE-SNVBAGLBSA-N 1 2 327.197 3.419 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895227959 1309247056 /nfs/dbraw/zinc/24/70/56/1309247056.db2.gz HBMLFDLLMOWOHE-SNVBAGLBSA-N 1 2 327.197 3.419 20 30 EGEDLO N#Cc1cnn(-c2ccccc2)c1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895346113 1309291429 /nfs/dbraw/zinc/29/14/29/1309291429.db2.gz DAMSAVFSKLUIQD-UHFFFAOYSA-N 1 2 344.422 3.220 20 30 EGEDLO C#Cc1ccc(C(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)nc1 ZINC000794426663 1309524569 /nfs/dbraw/zinc/52/45/69/1309524569.db2.gz GGSDQRMKHUVTHA-UHFFFAOYSA-N 1 2 343.386 3.482 20 30 EGEDLO Cn1c(CC#N)nn(C[N@@H+]2CCC[C@@](C)(c3ccccc3)C2)c1=S ZINC000794628146 1309561205 /nfs/dbraw/zinc/56/12/05/1309561205.db2.gz ILVUDBZOSWKNJF-GOSISDBHSA-N 1 2 341.484 3.028 20 30 EGEDLO Cn1c(CC#N)nn(C[N@H+]2CCC[C@@](C)(c3ccccc3)C2)c1=S ZINC000794628146 1309561213 /nfs/dbraw/zinc/56/12/13/1309561213.db2.gz ILVUDBZOSWKNJF-GOSISDBHSA-N 1 2 341.484 3.028 20 30 EGEDLO COc1ccc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)cc1OC ZINC000794691309 1309576091 /nfs/dbraw/zinc/57/60/91/1309576091.db2.gz OLPSKHNQYWAHBX-VURMDHGXSA-N 1 2 332.425 3.118 20 30 EGEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2ccc(-n3cccn3)cc2)s1 ZINC000794699469 1309578184 /nfs/dbraw/zinc/57/81/84/1309578184.db2.gz MQNRODUJXMLLHC-CMDGGOBGSA-N 1 2 338.436 3.287 20 30 EGEDLO COc1cc(C)c(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)cc1OC ZINC000794707837 1309579916 /nfs/dbraw/zinc/57/99/16/1309579916.db2.gz NSDGRBOYSLGCHR-VOTSOKGWSA-N 1 2 346.452 3.426 20 30 EGEDLO CC1(C)C[N@H+](CCCOc2ccc(C#N)cc2)C[C@H](C(F)(F)F)O1 ZINC000795063130 1309660681 /nfs/dbraw/zinc/66/06/81/1309660681.db2.gz TVTTZPPWUKPZNR-OAHLLOKOSA-N 1 2 342.361 3.369 20 30 EGEDLO CC1(C)C[N@@H+](CCCOc2ccc(C#N)cc2)C[C@H](C(F)(F)F)O1 ZINC000795063130 1309660684 /nfs/dbraw/zinc/66/06/84/1309660684.db2.gz TVTTZPPWUKPZNR-OAHLLOKOSA-N 1 2 342.361 3.369 20 30 EGEDLO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(C)c1 ZINC000798275691 1310333517 /nfs/dbraw/zinc/33/35/17/1310333517.db2.gz TXZKQACSXJAOCM-IAGOWNOFSA-N 1 2 329.444 3.152 20 30 EGEDLO Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1C#N ZINC000799366670 1310537421 /nfs/dbraw/zinc/53/74/21/1310537421.db2.gz PDKZSLSZOKKYBD-OAHLLOKOSA-N 1 2 339.464 3.447 20 30 EGEDLO C#CCC(C)(C)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000799424986 1310547024 /nfs/dbraw/zinc/54/70/24/1310547024.db2.gz FSCQXVCODSNEEY-QGZVFWFLSA-N 1 2 342.483 3.168 20 30 EGEDLO C#CCC(C)(C)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000799424986 1310547031 /nfs/dbraw/zinc/54/70/31/1310547031.db2.gz FSCQXVCODSNEEY-QGZVFWFLSA-N 1 2 342.483 3.168 20 30 EGEDLO COc1cc(C[N@H+](C)CC(=O)Nc2ccccc2Cl)ccc1C#N ZINC000799728497 1310605813 /nfs/dbraw/zinc/60/58/13/1310605813.db2.gz AOPHMSCPERCLPZ-UHFFFAOYSA-N 1 2 343.814 3.291 20 30 EGEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2Cl)ccc1C#N ZINC000799728497 1310605821 /nfs/dbraw/zinc/60/58/21/1310605821.db2.gz AOPHMSCPERCLPZ-UHFFFAOYSA-N 1 2 343.814 3.291 20 30 EGEDLO N#CCc1ccc(NC(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000929428992 1328595292 /nfs/dbraw/zinc/59/52/92/1328595292.db2.gz HJKANXZOXIUZAW-UHFFFAOYSA-N 1 2 335.411 3.256 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000929554874 1328633667 /nfs/dbraw/zinc/63/36/67/1328633667.db2.gz HGJDKOIWINRBCS-INIZCTEOSA-N 1 2 330.476 3.159 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2nc(C3CCCC3)no2)C1 ZINC001019233169 1317115368 /nfs/dbraw/zinc/11/53/68/1317115368.db2.gz GWKLEADDYFVVJI-HNNXBMFYSA-N 1 2 346.475 3.020 20 30 EGEDLO O=C(/C=C\c1c[nH+]c2ccc(Cl)cn12)c1cccc(-n2ccnn2)c1 ZINC000806575434 1317505574 /nfs/dbraw/zinc/50/55/74/1317505574.db2.gz CCHRLYNDQFINTI-WAYWQWQTSA-N 1 2 349.781 3.465 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)CN1CCN(c2ccccc2)C1=O ZINC000808177771 1317640016 /nfs/dbraw/zinc/64/00/16/1317640016.db2.gz XHDDOQPYSNQPKA-UHFFFAOYSA-N 1 2 325.412 3.210 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)CN1CCN(c2ccccc2)C1=O ZINC000808177771 1317640023 /nfs/dbraw/zinc/64/00/23/1317640023.db2.gz XHDDOQPYSNQPKA-UHFFFAOYSA-N 1 2 325.412 3.210 20 30 EGEDLO C#C[C@@H](NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)C(C)(C)C ZINC000808314057 1317659953 /nfs/dbraw/zinc/65/99/53/1317659953.db2.gz LPKMQEMBQGQCGG-DLBZAZTESA-N 1 2 338.455 3.051 20 30 EGEDLO COc1cccc([C@@H](C#N)NC(=O)c2c(C)cc(C)[nH+]c2C)c1OC ZINC000904110681 1317791697 /nfs/dbraw/zinc/79/16/97/1317791697.db2.gz FDHOBFHPZGQTJA-OAHLLOKOSA-N 1 2 339.395 3.019 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000906376914 1318089534 /nfs/dbraw/zinc/08/95/34/1318089534.db2.gz RSOHSHXXFGKARH-GJZGRUSLSA-N 1 2 335.473 3.049 20 30 EGEDLO N#Cc1ccc(COC(=O)Cc2c[nH+]cn2Cc2ccccc2)c(F)c1 ZINC000811325034 1318154954 /nfs/dbraw/zinc/15/49/54/1318154954.db2.gz FWUINPPAXAKKEP-UHFFFAOYSA-N 1 2 349.365 3.228 20 30 EGEDLO C=C1CC(C)(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](C)c2csnn2)C1 ZINC001021373108 1318217707 /nfs/dbraw/zinc/21/77/07/1318217707.db2.gz DKLZZOJKDPMQNQ-AVOUXACISA-N 1 2 346.500 3.067 20 30 EGEDLO C=C1CC(C)(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)c2csnn2)C1 ZINC001021373108 1318217718 /nfs/dbraw/zinc/21/77/18/1318217718.db2.gz DKLZZOJKDPMQNQ-AVOUXACISA-N 1 2 346.500 3.067 20 30 EGEDLO C=CCCCCCCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000811927040 1318290873 /nfs/dbraw/zinc/29/08/73/1318290873.db2.gz IRHKBULEFBOXNU-MSOLQXFVSA-N 1 2 337.508 3.018 20 30 EGEDLO O=C(C#CC1CC1)N1CCC[C@@H]2C[N@H+](C/C(Cl)=C/Cl)CC[C@@H]21 ZINC001021581993 1318425329 /nfs/dbraw/zinc/42/53/29/1318425329.db2.gz SPCCBQNSYTYVRY-NCIRPWHGSA-N 1 2 341.282 3.032 20 30 EGEDLO O=C(C#CC1CC1)N1CCC[C@@H]2C[N@@H+](C/C(Cl)=C/Cl)CC[C@@H]21 ZINC001021581993 1318425336 /nfs/dbraw/zinc/42/53/36/1318425336.db2.gz SPCCBQNSYTYVRY-NCIRPWHGSA-N 1 2 341.282 3.032 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)c1ccco1 ZINC000960376836 1318499666 /nfs/dbraw/zinc/49/96/66/1318499666.db2.gz ZSCGKGZOBBHIHP-KRWDZBQOSA-N 1 2 341.386 3.027 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)c1ccco1 ZINC000960376836 1318499667 /nfs/dbraw/zinc/49/96/67/1318499667.db2.gz ZSCGKGZOBBHIHP-KRWDZBQOSA-N 1 2 341.386 3.027 20 30 EGEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1csc(C(C)(C)C)n1 ZINC000960504330 1318613255 /nfs/dbraw/zinc/61/32/55/1318613255.db2.gz WEUJELODMIKOKL-ZFWWWQNUSA-N 1 2 348.516 3.023 20 30 EGEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1csc(C(C)(C)C)n1 ZINC000960504330 1318613262 /nfs/dbraw/zinc/61/32/62/1318613262.db2.gz WEUJELODMIKOKL-ZFWWWQNUSA-N 1 2 348.516 3.023 20 30 EGEDLO C=C(C)C[N@@H+](C)CN1C(=O)C[C@](C)(c2ccc(C(C)C)cc2)C1=O ZINC000814219996 1318702865 /nfs/dbraw/zinc/70/28/65/1318702865.db2.gz UQCRTRXNPWUIDF-HXUWFJFHSA-N 1 2 328.456 3.292 20 30 EGEDLO C=C(C)C[N@H+](C)CN1C(=O)C[C@](C)(c2ccc(C(C)C)cc2)C1=O ZINC000814219996 1318702870 /nfs/dbraw/zinc/70/28/70/1318702870.db2.gz UQCRTRXNPWUIDF-HXUWFJFHSA-N 1 2 328.456 3.292 20 30 EGEDLO Cn1c(N)nc(Cl)c1C=[NH+]Nc1ccnc2cc(Cl)ccc21 ZINC000814694196 1318800373 /nfs/dbraw/zinc/80/03/73/1318800373.db2.gz ZPHIBWYHPJKBBG-UHFFFAOYSA-N 1 2 335.198 3.303 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nc(C)oc1C ZINC000960785693 1318887488 /nfs/dbraw/zinc/88/74/88/1318887488.db2.gz HRAHGMODLOSMMN-MRXNPFEDSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nc(C)oc1C ZINC000960785693 1318887496 /nfs/dbraw/zinc/88/74/96/1318887496.db2.gz HRAHGMODLOSMMN-MRXNPFEDSA-N 1 2 333.476 3.317 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1noc2c1CCCC2 ZINC000960793080 1318902264 /nfs/dbraw/zinc/90/22/64/1318902264.db2.gz XVSMSLXWIPNVAE-HNNXBMFYSA-N 1 2 345.487 3.188 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1noc2c1CCCC2 ZINC000960793080 1318902274 /nfs/dbraw/zinc/90/22/74/1318902274.db2.gz XVSMSLXWIPNVAE-HNNXBMFYSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ncc(C)s1 ZINC000960824862 1318951037 /nfs/dbraw/zinc/95/10/37/1318951037.db2.gz CXTFHXIILJQVHC-MAUKXSAKSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ncc(C)s1 ZINC000960824862 1318951045 /nfs/dbraw/zinc/95/10/45/1318951045.db2.gz CXTFHXIILJQVHC-MAUKXSAKSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)[C@H](C)c2nnc(C)o2)CC1 ZINC000960832746 1318961853 /nfs/dbraw/zinc/96/18/53/1318961853.db2.gz OVPYBGKRBKWELL-PBHICJAKSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)[C@H](C)c2nnc(C)o2)CC1 ZINC000960832746 1318961862 /nfs/dbraw/zinc/96/18/62/1318961862.db2.gz OVPYBGKRBKWELL-PBHICJAKSA-N 1 2 346.475 3.108 20 30 EGEDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ncc(C#N)cc1C ZINC000815340786 1318967378 /nfs/dbraw/zinc/96/73/78/1318967378.db2.gz OCVVALAVSUUXTJ-UHFFFAOYSA-N 1 2 332.363 3.113 20 30 EGEDLO CCN(CCO)c1ccc(C=[NH+]Nc2nc3ccccc3[nH]2)c(C)c1 ZINC000915915809 1319560889 /nfs/dbraw/zinc/56/08/89/1319560889.db2.gz OIVUWOSAEBEWFH-UHFFFAOYSA-N 1 2 337.427 3.136 20 30 EGEDLO COc1cccc(NC(=S)N[NH+]=C(C)c2ccc(N(C)C)cc2)c1 ZINC000916298213 1319633877 /nfs/dbraw/zinc/63/38/77/1319633877.db2.gz GSBVGYPXQJKEID-UHFFFAOYSA-N 1 2 342.468 3.472 20 30 EGEDLO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000916622789 1319686273 /nfs/dbraw/zinc/68/62/73/1319686273.db2.gz LOCDRXJCGRMXGH-HZSPNIEDSA-N 1 2 327.453 3.450 20 30 EGEDLO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000916622789 1319686283 /nfs/dbraw/zinc/68/62/83/1319686283.db2.gz LOCDRXJCGRMXGH-HZSPNIEDSA-N 1 2 327.453 3.450 20 30 EGEDLO C[C@H]1CCCC[C@@H]1NC(=S)NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000917025607 1319740449 /nfs/dbraw/zinc/74/04/49/1319740449.db2.gz AUUXSJLMKBRJPI-YOEHRIQHSA-N 1 2 341.484 3.249 20 30 EGEDLO C=C[C@@H](Cc1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1)c1ccccc1 ZINC000823394373 1320174907 /nfs/dbraw/zinc/17/49/07/1320174907.db2.gz YBXDIZBPMUNGLR-ZFWWWQNUSA-N 1 2 343.427 3.314 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)CN1C(=O)[C@H](C2CC2)[C@@H]1C1CC1 ZINC000839971194 1321006276 /nfs/dbraw/zinc/00/62/76/1321006276.db2.gz USBZOXHAXNIHAY-UXHICEINSA-N 1 2 340.467 3.288 20 30 EGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)CN1C(=O)[C@H](C2CC2)[C@@H]1C1CC1 ZINC000839971194 1321006282 /nfs/dbraw/zinc/00/62/82/1321006282.db2.gz USBZOXHAXNIHAY-UXHICEINSA-N 1 2 340.467 3.288 20 30 EGEDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)s1 ZINC000840724937 1321136018 /nfs/dbraw/zinc/13/60/18/1321136018.db2.gz CSAYRFMEMPHVJN-NWDGAFQWSA-N 1 2 345.424 3.244 20 30 EGEDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)s1 ZINC000840724953 1321136053 /nfs/dbraw/zinc/13/60/53/1321136053.db2.gz CSAYRFMEMPHVJN-VXGBXAGGSA-N 1 2 345.424 3.244 20 30 EGEDLO N#Cc1cnn2cc(C[N@H+]3CCC[C@H]3c3ccc(F)c(F)c3)cnc12 ZINC000843395390 1321511038 /nfs/dbraw/zinc/51/10/38/1321511038.db2.gz VYLRCGKXOQDDIS-KRWDZBQOSA-N 1 2 339.349 3.216 20 30 EGEDLO N#Cc1cnn2cc(C[N@@H+]3CCC[C@H]3c3ccc(F)c(F)c3)cnc12 ZINC000843395390 1321511040 /nfs/dbraw/zinc/51/10/40/1321511040.db2.gz VYLRCGKXOQDDIS-KRWDZBQOSA-N 1 2 339.349 3.216 20 30 EGEDLO C[C@@H](CC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)n1cc[nH+]c1 ZINC000845463068 1321710124 /nfs/dbraw/zinc/71/01/24/1321710124.db2.gz QWQUWFMOSLGVTG-JQWIXIFHSA-N 1 2 328.372 3.459 20 30 EGEDLO C=CCCn1cc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)nn1 ZINC000846776698 1321807376 /nfs/dbraw/zinc/80/73/76/1321807376.db2.gz VPDLMHAEKDKRAU-UHFFFAOYSA-N 1 2 325.460 3.085 20 30 EGEDLO C=CCCn1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)nn1 ZINC000846776698 1321807380 /nfs/dbraw/zinc/80/73/80/1321807380.db2.gz VPDLMHAEKDKRAU-UHFFFAOYSA-N 1 2 325.460 3.085 20 30 EGEDLO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@H](C)[N@@H+]1Cc1ccc(C#N)cn1 ZINC000847007241 1321833093 /nfs/dbraw/zinc/83/30/93/1321833093.db2.gz AGKXVNVKLZTQJM-QLFBSQMISA-N 1 2 344.459 3.171 20 30 EGEDLO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@H](C)[N@H+]1Cc1ccc(C#N)cn1 ZINC000847007241 1321833096 /nfs/dbraw/zinc/83/30/96/1321833096.db2.gz AGKXVNVKLZTQJM-QLFBSQMISA-N 1 2 344.459 3.171 20 30 EGEDLO Cc1nn2c(nc3ccccc3c2=O)c1=C[NH2+]Nc1ccccc1F ZINC000918711142 1321980892 /nfs/dbraw/zinc/98/08/92/1321980892.db2.gz QHDMCPGVLWXKFO-UHFFFAOYSA-N 1 2 335.342 3.069 20 30 EGEDLO N#Cc1ccc(Br)c(C[NH2+][C@@H]2CCCc3cn[nH]c32)c1 ZINC000921858772 1322414187 /nfs/dbraw/zinc/41/41/87/1322414187.db2.gz AYBBICRYQWTOFN-CQSZACIVSA-N 1 2 331.217 3.211 20 30 EGEDLO N#Cc1ccc(Br)c(C[NH2+][C@@H]2CCCc3c[nH]nc32)c1 ZINC000921858772 1322414192 /nfs/dbraw/zinc/41/41/92/1322414192.db2.gz AYBBICRYQWTOFN-CQSZACIVSA-N 1 2 331.217 3.211 20 30 EGEDLO CCc1nc(C)c(C[NH2+]Cc2cc(C#N)ccc2Br)o1 ZINC000922143250 1322465632 /nfs/dbraw/zinc/46/56/32/1322465632.db2.gz IWHVIGJCTRTRGR-UHFFFAOYSA-N 1 2 334.217 3.469 20 30 EGEDLO COc1ccccc1[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)c1nccn1C ZINC000924624159 1323080736 /nfs/dbraw/zinc/08/07/36/1323080736.db2.gz QVKFAFFZURHZMZ-WMLDXEAASA-N 1 2 326.444 3.436 20 30 EGEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc(Cc2cccc(Br)c2)no1 ZINC000852103004 1323147198 /nfs/dbraw/zinc/14/71/98/1323147198.db2.gz VVPAWZPGBLADFJ-INIZCTEOSA-N 1 2 348.244 3.314 20 30 EGEDLO C=CCCCCCCCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852339242 1323180320 /nfs/dbraw/zinc/18/03/20/1323180320.db2.gz HVWNGKVTKCGFJM-SFHVURJKSA-N 1 2 337.508 3.019 20 30 EGEDLO C#CCC[N@@H+](CCOC)Cc1c(C)nn(Cc2ccccc2)c1Cl ZINC000852751772 1323236219 /nfs/dbraw/zinc/23/62/19/1323236219.db2.gz MVYBXQAHORIMDC-UHFFFAOYSA-N 1 2 345.874 3.365 20 30 EGEDLO C#CCC[N@H+](CCOC)Cc1c(C)nn(Cc2ccccc2)c1Cl ZINC000852751772 1323236227 /nfs/dbraw/zinc/23/62/27/1323236227.db2.gz MVYBXQAHORIMDC-UHFFFAOYSA-N 1 2 345.874 3.365 20 30 EGEDLO Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)cn1 ZINC001024332898 1323320306 /nfs/dbraw/zinc/32/03/06/1323320306.db2.gz JBQYWOVXWJMNNX-FQEVSTJZSA-N 1 2 348.450 3.046 20 30 EGEDLO Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)cn1 ZINC001024332898 1323320311 /nfs/dbraw/zinc/32/03/11/1323320311.db2.gz JBQYWOVXWJMNNX-FQEVSTJZSA-N 1 2 348.450 3.046 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C(C)(C)C)on1 ZINC001024549952 1323491100 /nfs/dbraw/zinc/49/11/00/1323491100.db2.gz ALTCJUBHIVDSLF-CYBMUJFWSA-N 1 2 339.867 3.309 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C(C)(C)C)on1 ZINC001024549952 1323491103 /nfs/dbraw/zinc/49/11/03/1323491103.db2.gz ALTCJUBHIVDSLF-CYBMUJFWSA-N 1 2 339.867 3.309 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]nc1-c1ccoc1 ZINC001024570722 1323508444 /nfs/dbraw/zinc/50/84/44/1323508444.db2.gz NQWCWPUIWPIAFZ-CQSZACIVSA-N 1 2 348.834 3.007 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]nc1-c1ccoc1 ZINC001024570722 1323508447 /nfs/dbraw/zinc/50/84/47/1323508447.db2.gz NQWCWPUIWPIAFZ-CQSZACIVSA-N 1 2 348.834 3.007 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCOc2ccccc21 ZINC001024712405 1323621321 /nfs/dbraw/zinc/62/13/21/1323621321.db2.gz WXMKQPQXNZMUMA-WBVHZDCISA-N 1 2 348.874 3.276 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCOc2ccccc21 ZINC001024712405 1323621325 /nfs/dbraw/zinc/62/13/25/1323621325.db2.gz WXMKQPQXNZMUMA-WBVHZDCISA-N 1 2 348.874 3.276 20 30 EGEDLO C=CCc1cc(C[NH2+][C@@H](C)c2cn(C(C)C)nn2)cc(OC)c1OC ZINC000925357141 1325128039 /nfs/dbraw/zinc/12/80/39/1325128039.db2.gz QOXAEBZASDVSPN-AWEZNQCLSA-N 1 2 344.459 3.456 20 30 EGEDLO C=CCc1cc(C[NH2+][C@H](C)c2cn(C(C)C)nn2)cc(OC)c1OC ZINC000925357142 1325128288 /nfs/dbraw/zinc/12/82/88/1325128288.db2.gz QOXAEBZASDVSPN-CQSZACIVSA-N 1 2 344.459 3.456 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC001027281551 1325406763 /nfs/dbraw/zinc/40/67/63/1325406763.db2.gz VDUUHUZRRPQVBG-LBPRGKRZSA-N 1 2 343.290 3.193 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC001027281551 1325406766 /nfs/dbraw/zinc/40/67/66/1325406766.db2.gz VDUUHUZRRPQVBG-LBPRGKRZSA-N 1 2 343.290 3.193 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC001027281550 1325407120 /nfs/dbraw/zinc/40/71/20/1325407120.db2.gz VDUUHUZRRPQVBG-GFCCVEGCSA-N 1 2 343.290 3.193 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC001027281550 1325407122 /nfs/dbraw/zinc/40/71/22/1325407122.db2.gz VDUUHUZRRPQVBG-GFCCVEGCSA-N 1 2 343.290 3.193 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 ZINC001027289962 1325423356 /nfs/dbraw/zinc/42/33/56/1325423356.db2.gz MLCXIFBJZDFMCI-GJZGRUSLSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 ZINC001027289962 1325423359 /nfs/dbraw/zinc/42/33/59/1325423359.db2.gz MLCXIFBJZDFMCI-GJZGRUSLSA-N 1 2 341.293 3.174 20 30 EGEDLO C[C@H](C#N)C(=O)N1CCC[C@H]([N@H+](C)Cc2c(F)cccc2Cl)C1 ZINC001027330214 1325485467 /nfs/dbraw/zinc/48/54/67/1325485467.db2.gz LKCWEOJWMLKTAV-OLZOCXBDSA-N 1 2 337.826 3.062 20 30 EGEDLO C[C@H](C#N)C(=O)N1CCC[C@H]([N@@H+](C)Cc2c(F)cccc2Cl)C1 ZINC001027330214 1325485473 /nfs/dbraw/zinc/48/54/73/1325485473.db2.gz LKCWEOJWMLKTAV-OLZOCXBDSA-N 1 2 337.826 3.062 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C)C2CCC2)C1 ZINC001027460929 1327708408 /nfs/dbraw/zinc/70/84/08/1327708408.db2.gz RRVNJQYHAKOHDZ-HIFRSBDPSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)C2CCC2)C1 ZINC001027460929 1327708413 /nfs/dbraw/zinc/70/84/13/1327708413.db2.gz RRVNJQYHAKOHDZ-HIFRSBDPSA-N 1 2 343.309 3.254 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@@H]2C)o1 ZINC000964900991 1327759184 /nfs/dbraw/zinc/75/91/84/1327759184.db2.gz GEJXPQYJNJXALP-KSSFIOAISA-N 1 2 337.423 3.100 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3C#N)CC[C@@H]2C)o1 ZINC000964900991 1327759191 /nfs/dbraw/zinc/75/91/91/1327759191.db2.gz GEJXPQYJNJXALP-KSSFIOAISA-N 1 2 337.423 3.100 20 30 EGEDLO C#CCCOc1ccc(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000927079321 1327848825 /nfs/dbraw/zinc/84/88/25/1327848825.db2.gz MRMLHQIIXCGHLN-UHFFFAOYSA-N 1 2 349.434 3.200 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CCC[C@H]2CNC(=O)c2cccs2)ccc1F ZINC001027734370 1328159816 /nfs/dbraw/zinc/15/98/16/1328159816.db2.gz WYIVQYMAILEZQU-HNNXBMFYSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1cc(C[N@H+]2CCC[C@H]2CNC(=O)c2cccs2)ccc1F ZINC001027734370 1328159822 /nfs/dbraw/zinc/15/98/22/1328159822.db2.gz WYIVQYMAILEZQU-HNNXBMFYSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001027749497 1328182265 /nfs/dbraw/zinc/18/22/65/1328182265.db2.gz XFKDDXQNBNMZNM-HNAYVOBHSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001027749497 1328182271 /nfs/dbraw/zinc/18/22/71/1328182271.db2.gz XFKDDXQNBNMZNM-HNAYVOBHSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C(C)C)nc2)C1 ZINC000966727064 1328394831 /nfs/dbraw/zinc/39/48/31/1328394831.db2.gz XIADJCFKARRMSY-SUMWQHHRSA-N 1 2 335.879 3.398 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C(C)C)nc2)C1 ZINC000966727064 1328394835 /nfs/dbraw/zinc/39/48/35/1328394835.db2.gz XIADJCFKARRMSY-SUMWQHHRSA-N 1 2 335.879 3.398 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccnc(-c2ccco2)c1 ZINC001027956743 1328426688 /nfs/dbraw/zinc/42/66/88/1328426688.db2.gz NTVVJDNIQMGFQD-HNNXBMFYSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccnc(-c2ccco2)c1 ZINC001027956743 1328426691 /nfs/dbraw/zinc/42/66/91/1328426691.db2.gz NTVVJDNIQMGFQD-HNNXBMFYSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnc2ccccc2c1C ZINC001028035578 1328499314 /nfs/dbraw/zinc/49/93/14/1328499314.db2.gz DDBKDPWQHLPDGC-HNNXBMFYSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnc2ccccc2c1C ZINC001028035578 1328499319 /nfs/dbraw/zinc/49/93/19/1328499319.db2.gz DDBKDPWQHLPDGC-HNNXBMFYSA-N 1 2 343.858 3.490 20 30 EGEDLO C=CCOc1ccc(C(=O)N[C@H]2C[N@@H+](CC(=C)Cl)CC[C@@H]2C)cc1 ZINC000966973327 1328506834 /nfs/dbraw/zinc/50/68/34/1328506834.db2.gz DWQXZKZJWUWYMD-KSSFIOAISA-N 1 2 348.874 3.444 20 30 EGEDLO C=CCOc1ccc(C(=O)N[C@H]2C[N@H+](CC(=C)Cl)CC[C@@H]2C)cc1 ZINC000966973327 1328506841 /nfs/dbraw/zinc/50/68/41/1328506841.db2.gz DWQXZKZJWUWYMD-KSSFIOAISA-N 1 2 348.874 3.444 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C)nc1C1CC1 ZINC001028053754 1328519916 /nfs/dbraw/zinc/51/99/16/1328519916.db2.gz JHUIADQTCHEEAI-HNNXBMFYSA-N 1 2 333.863 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C)nc1C1CC1 ZINC001028053754 1328519922 /nfs/dbraw/zinc/51/99/22/1328519922.db2.gz JHUIADQTCHEEAI-HNNXBMFYSA-N 1 2 333.863 3.214 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)CN1C[C@H](c2ccccc2)OC1=O ZINC000863263852 1329541339 /nfs/dbraw/zinc/54/13/39/1329541339.db2.gz VRDDTNXRPUEKNV-GOSISDBHSA-N 1 2 326.396 3.461 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)CN1C[C@H](c2ccccc2)OC1=O ZINC000863263852 1329541341 /nfs/dbraw/zinc/54/13/41/1329541341.db2.gz VRDDTNXRPUEKNV-GOSISDBHSA-N 1 2 326.396 3.461 20 30 EGEDLO S=C(NN=C1C[NH+]2CCC1CC2)Nc1ccc(Cl)cc1Cl ZINC000864094826 1329597233 /nfs/dbraw/zinc/59/72/33/1329597233.db2.gz GNYJLXBRODCLQR-UHFFFAOYSA-N 1 2 343.283 3.361 20 30 EGEDLO Cc1ccc(C#N)cc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000935337272 1330045288 /nfs/dbraw/zinc/04/52/88/1330045288.db2.gz WGVAVLALZMGODM-UHFFFAOYSA-N 1 2 336.439 3.396 20 30 EGEDLO Cc1ccc(C#N)cc1C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000935409475 1330050934 /nfs/dbraw/zinc/05/09/34/1330050934.db2.gz FBPOGOIZMNONIS-HNNXBMFYSA-N 1 2 339.464 3.447 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)C2CC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC000946958076 1332943751 /nfs/dbraw/zinc/94/37/51/1332943751.db2.gz VOXYOPRCWKGNBW-YOEHRIQHSA-N 1 2 330.859 3.071 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)C2CC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC000946958076 1332943752 /nfs/dbraw/zinc/94/37/52/1332943752.db2.gz VOXYOPRCWKGNBW-YOEHRIQHSA-N 1 2 330.859 3.071 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccc(C)o2)C[C@@H]1C ZINC000947026410 1332978905 /nfs/dbraw/zinc/97/89/05/1332978905.db2.gz LPZOCBAWYVZJHF-AAEUAGOBSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)o2)C[C@@H]1C ZINC000947026410 1332978908 /nfs/dbraw/zinc/97/89/08/1332978908.db2.gz LPZOCBAWYVZJHF-AAEUAGOBSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2(C)CC=CC2)C[C@H]1C ZINC000947693443 1333226773 /nfs/dbraw/zinc/22/67/73/1333226773.db2.gz MZESGFZIAVXTAW-KGLIPLIRSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2(C)CC=CC2)C[C@H]1C ZINC000947693443 1333226775 /nfs/dbraw/zinc/22/67/75/1333226775.db2.gz MZESGFZIAVXTAW-KGLIPLIRSA-N 1 2 341.293 3.220 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)C(C)(C)C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947961345 1333322199 /nfs/dbraw/zinc/32/21/99/1333322199.db2.gz AXRYHSWESCDOPD-DYVFJYSZSA-N 1 2 331.435 3.213 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)C(C)(C)C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947961345 1333322201 /nfs/dbraw/zinc/32/22/01/1333322201.db2.gz AXRYHSWESCDOPD-DYVFJYSZSA-N 1 2 331.435 3.213 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC000948920130 1333734539 /nfs/dbraw/zinc/73/45/39/1333734539.db2.gz XJOIIJJPLDVION-CTNGQTDRSA-N 1 2 336.479 3.472 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC000948920130 1333734541 /nfs/dbraw/zinc/73/45/41/1333734541.db2.gz XJOIIJJPLDVION-CTNGQTDRSA-N 1 2 336.479 3.472 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC000948920255 1333734658 /nfs/dbraw/zinc/73/46/58/1333734658.db2.gz ZRFWQHMGCHCIFE-ICSRJNTNSA-N 1 2 336.479 3.306 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC000948920255 1333734659 /nfs/dbraw/zinc/73/46/59/1333734659.db2.gz ZRFWQHMGCHCIFE-ICSRJNTNSA-N 1 2 336.479 3.306 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1nc(Cl)cs1 ZINC000948950844 1333744541 /nfs/dbraw/zinc/74/45/41/1333744541.db2.gz OOQSXXQNSNMZQU-CQSZACIVSA-N 1 2 347.871 3.312 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1nc(Cl)cs1 ZINC000948950844 1333744545 /nfs/dbraw/zinc/74/45/45/1333744545.db2.gz OOQSXXQNSNMZQU-CQSZACIVSA-N 1 2 347.871 3.312 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc2[nH]ccc2c1 ZINC000948955627 1333747001 /nfs/dbraw/zinc/74/70/01/1333747001.db2.gz YKXPXKNUQKACJW-NRFANRHFSA-N 1 2 343.430 3.130 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc2[nH]ccc2c1 ZINC000948955627 1333747004 /nfs/dbraw/zinc/74/70/04/1333747004.db2.gz YKXPXKNUQKACJW-NRFANRHFSA-N 1 2 343.430 3.130 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C(C)C)no1 ZINC000948966253 1333749821 /nfs/dbraw/zinc/74/98/21/1333749821.db2.gz XBYUVYCSBBFAKA-SFHVURJKSA-N 1 2 339.439 3.313 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C(C)C)no1 ZINC000948966253 1333749822 /nfs/dbraw/zinc/74/98/22/1333749822.db2.gz XBYUVYCSBBFAKA-SFHVURJKSA-N 1 2 339.439 3.313 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc2cc[nH]c2c1 ZINC000948965128 1333750366 /nfs/dbraw/zinc/75/03/66/1333750366.db2.gz GCYNZMJKKGKIBN-NRFANRHFSA-N 1 2 343.430 3.130 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc2cc[nH]c2c1 ZINC000948965128 1333750369 /nfs/dbraw/zinc/75/03/69/1333750369.db2.gz GCYNZMJKKGKIBN-NRFANRHFSA-N 1 2 343.430 3.130 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)c(CC)o1 ZINC000948978698 1333754995 /nfs/dbraw/zinc/75/49/95/1333754995.db2.gz OBIPYPOASYKZHK-SFHVURJKSA-N 1 2 336.435 3.113 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)c(CC)o1 ZINC000948978698 1333754997 /nfs/dbraw/zinc/75/49/97/1333754997.db2.gz OBIPYPOASYKZHK-SFHVURJKSA-N 1 2 336.435 3.113 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(C(F)F)o1 ZINC000948981762 1333757051 /nfs/dbraw/zinc/75/70/51/1333757051.db2.gz DZXLDEFXXJFWSZ-OAHLLOKOSA-N 1 2 344.361 3.180 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(C(F)F)o1 ZINC000948981762 1333757053 /nfs/dbraw/zinc/75/70/53/1333757053.db2.gz DZXLDEFXXJFWSZ-OAHLLOKOSA-N 1 2 344.361 3.180 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C)c(C)s1 ZINC000948982624 1333757853 /nfs/dbraw/zinc/75/78/53/1333757853.db2.gz NVXASDJSPJBEAD-GOSISDBHSA-N 1 2 338.476 3.327 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C)c(C)s1 ZINC000948982624 1333757856 /nfs/dbraw/zinc/75/78/56/1333757856.db2.gz NVXASDJSPJBEAD-GOSISDBHSA-N 1 2 338.476 3.327 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cccc(Cl)c1 ZINC000948983284 1333758645 /nfs/dbraw/zinc/75/86/45/1333758645.db2.gz YCRYHGOBZFTUHT-LJQANCHMSA-N 1 2 338.838 3.302 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cccc(Cl)c1 ZINC000948983284 1333758649 /nfs/dbraw/zinc/75/86/49/1333758649.db2.gz YCRYHGOBZFTUHT-LJQANCHMSA-N 1 2 338.838 3.302 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC000948984993 1333759838 /nfs/dbraw/zinc/75/98/38/1333759838.db2.gz BBFFHOSZEYZANZ-QLOJAFMTSA-N 1 2 338.495 3.408 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC000948984993 1333759839 /nfs/dbraw/zinc/75/98/39/1333759839.db2.gz BBFFHOSZEYZANZ-QLOJAFMTSA-N 1 2 338.495 3.408 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC2CCC1CC2 ZINC000948987323 1333761220 /nfs/dbraw/zinc/76/12/20/1333761220.db2.gz XNZYQSBAXICIMG-LNHIOMRXSA-N 1 2 336.479 3.162 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC2CCC1CC2 ZINC000948987323 1333761225 /nfs/dbraw/zinc/76/12/25/1333761225.db2.gz XNZYQSBAXICIMG-LNHIOMRXSA-N 1 2 336.479 3.162 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC2CCC1CC2 ZINC000948987321 1333761417 /nfs/dbraw/zinc/76/14/17/1333761417.db2.gz XNZYQSBAXICIMG-JBBFKITRSA-N 1 2 336.479 3.162 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC2CCC1CC2 ZINC000948987321 1333761420 /nfs/dbraw/zinc/76/14/20/1333761420.db2.gz XNZYQSBAXICIMG-JBBFKITRSA-N 1 2 336.479 3.162 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](Cc2ccc(COC)cc2)CC1 ZINC000950039164 1333998474 /nfs/dbraw/zinc/99/84/74/1333998474.db2.gz QSESXYKNBSWVRA-HXUWFJFHSA-N 1 2 330.472 3.080 20 30 EGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1C[NH+](Cc2csc(C)c2)C1 ZINC000950353458 1334047848 /nfs/dbraw/zinc/04/78/48/1334047848.db2.gz XSIGSZOQDGVIGO-MSOLQXFVSA-N 1 2 348.512 3.070 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc3cccc(C)c3s2)C1 ZINC000950658595 1334106698 /nfs/dbraw/zinc/10/66/98/1334106698.db2.gz RFOXYEFUTVTFMH-UHFFFAOYSA-N 1 2 326.465 3.379 20 30 EGEDLO C=C(C)CC[NH+]1CC(N(CC)C(=O)c2scnc2C(F)F)C1 ZINC000950849759 1334141675 /nfs/dbraw/zinc/14/16/75/1334141675.db2.gz AGFXUTRNNSQDSD-UHFFFAOYSA-N 1 2 329.416 3.193 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000951710521 1334305261 /nfs/dbraw/zinc/30/52/61/1334305261.db2.gz PIBXYBAQZNCDFN-SNRMKQJTSA-N 1 2 346.446 3.012 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000951785605 1334314022 /nfs/dbraw/zinc/31/40/22/1334314022.db2.gz VOBADRWKYDPIKB-KYNGSXCRSA-N 1 2 346.446 3.011 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cn(C)c3ccccc23)C1 ZINC000967272522 1335681934 /nfs/dbraw/zinc/68/19/34/1335681934.db2.gz BVVPXSYDBPNMON-DYVFJYSZSA-N 1 2 345.874 3.371 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cn(C)c3ccccc23)C1 ZINC000967272522 1335681937 /nfs/dbraw/zinc/68/19/37/1335681937.db2.gz BVVPXSYDBPNMON-DYVFJYSZSA-N 1 2 345.874 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccnc3ccccc32)C1 ZINC000967279864 1335686881 /nfs/dbraw/zinc/68/68/81/1335686881.db2.gz SPWASCPPQWWCFH-ACJLOTCBSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccnc3ccccc32)C1 ZINC000967279864 1335686884 /nfs/dbraw/zinc/68/68/84/1335686884.db2.gz SPWASCPPQWWCFH-ACJLOTCBSA-N 1 2 343.858 3.428 20 30 EGEDLO Cc1coc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)CC[C@H]2C)c1 ZINC000967894232 1335825817 /nfs/dbraw/zinc/82/58/17/1335825817.db2.gz IJHOBBWNWUCTHC-CZUORRHYSA-N 1 2 343.452 3.162 20 30 EGEDLO Cc1coc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)CC[C@H]2C)c1 ZINC000967894232 1335825819 /nfs/dbraw/zinc/82/58/19/1335825819.db2.gz IJHOBBWNWUCTHC-CZUORRHYSA-N 1 2 343.452 3.162 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](Cc3nc(C)c(C)s3)CC[C@@H]2C)C1 ZINC000968212610 1335873007 /nfs/dbraw/zinc/87/30/07/1335873007.db2.gz NPIAENTWONIKPW-BBRMVZONSA-N 1 2 347.528 3.443 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](Cc3nc(C)c(C)s3)CC[C@@H]2C)C1 ZINC000968212610 1335873008 /nfs/dbraw/zinc/87/30/08/1335873008.db2.gz NPIAENTWONIKPW-BBRMVZONSA-N 1 2 347.528 3.443 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](Cc3ccnc(Cl)c3)CC[C@@H]2C)C1 ZINC000968211916 1335873145 /nfs/dbraw/zinc/87/31/45/1335873145.db2.gz MCXUPQJVPQOVNT-HOCLYGCPSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](Cc3ccnc(Cl)c3)CC[C@@H]2C)C1 ZINC000968211916 1335873147 /nfs/dbraw/zinc/87/31/47/1335873147.db2.gz MCXUPQJVPQOVNT-HOCLYGCPSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1ncc(F)cc1F ZINC000968917075 1336088259 /nfs/dbraw/zinc/08/82/59/1336088259.db2.gz NCNOHAXIQHJROB-CYBMUJFWSA-N 1 2 343.805 3.087 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ncc(F)cc1F ZINC000968917075 1336088263 /nfs/dbraw/zinc/08/82/63/1336088263.db2.gz NCNOHAXIQHJROB-CYBMUJFWSA-N 1 2 343.805 3.087 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1c(C)onc1CC ZINC000969141616 1336159687 /nfs/dbraw/zinc/15/96/87/1336159687.db2.gz HKNWMYBLCMFFFB-CQSZACIVSA-N 1 2 339.867 3.272 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1c(C)onc1CC ZINC000969141616 1336159690 /nfs/dbraw/zinc/15/96/90/1336159690.db2.gz HKNWMYBLCMFFFB-CQSZACIVSA-N 1 2 339.867 3.272 20 30 EGEDLO Cc1cc(C(=O)N[C@@H](C)C2C[NH+](Cc3ccccc3C#N)C2)oc1C ZINC000969502069 1336219282 /nfs/dbraw/zinc/21/92/82/1336219282.db2.gz AKUMWNRYRJFAAC-AWEZNQCLSA-N 1 2 337.423 3.018 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2scnc2C(C)C)C1 ZINC000970543803 1336319955 /nfs/dbraw/zinc/31/99/55/1336319955.db2.gz BAXYPIUVZZAVIC-LLVKDONJSA-N 1 2 327.881 3.069 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2csc(C(C)C)n2)C1 ZINC000970590042 1336324603 /nfs/dbraw/zinc/32/46/03/1336324603.db2.gz ORBHQDAVPNVYQF-LLVKDONJSA-N 1 2 327.881 3.069 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3cccs3)C2)s1 ZINC001006624287 1336541740 /nfs/dbraw/zinc/54/17/40/1336541740.db2.gz KQWPYQAQVROJPU-GFCCVEGCSA-N 1 2 331.466 3.076 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3cccs3)C2)s1 ZINC001006624287 1336541743 /nfs/dbraw/zinc/54/17/43/1336541743.db2.gz KQWPYQAQVROJPU-GFCCVEGCSA-N 1 2 331.466 3.076 20 30 EGEDLO Cc1cscc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001007057365 1336635502 /nfs/dbraw/zinc/63/55/02/1336635502.db2.gz NUBNNZPMWUBDPC-ZDUSSCGKSA-N 1 2 345.493 3.384 20 30 EGEDLO Cc1cscc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001007057365 1336635504 /nfs/dbraw/zinc/63/55/04/1336635504.db2.gz NUBNNZPMWUBDPC-ZDUSSCGKSA-N 1 2 345.493 3.384 20 30 EGEDLO CC1CC(C(=O)N[C@H]2CCC[N@H+](CC#Cc3cccc(Cl)c3)C2)C1 ZINC001007065363 1336637230 /nfs/dbraw/zinc/63/72/30/1336637230.db2.gz PTQKSKIAZHQMSR-KVWWFHCMSA-N 1 2 344.886 3.318 20 30 EGEDLO CC1CC(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3cccc(Cl)c3)C2)C1 ZINC001007065363 1336637235 /nfs/dbraw/zinc/63/72/35/1336637235.db2.gz PTQKSKIAZHQMSR-KVWWFHCMSA-N 1 2 344.886 3.318 20 30 EGEDLO CCc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)o1 ZINC001007664208 1336685833 /nfs/dbraw/zinc/68/58/33/1336685833.db2.gz GLROJCVHXXBKTO-QGZVFWFLSA-N 1 2 337.423 3.108 20 30 EGEDLO CCc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)o1 ZINC001007664208 1336685834 /nfs/dbraw/zinc/68/58/34/1336685834.db2.gz GLROJCVHXXBKTO-QGZVFWFLSA-N 1 2 337.423 3.108 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc3cccnc32)C1 ZINC001007818381 1336707317 /nfs/dbraw/zinc/70/73/17/1336707317.db2.gz REYJLSDFKKZCLV-OAHLLOKOSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccc3cccnc32)C1 ZINC001007818381 1336707320 /nfs/dbraw/zinc/70/73/20/1336707320.db2.gz REYJLSDFKKZCLV-OAHLLOKOSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2c[nH]nc2-c2ccccc2)C1 ZINC001008107189 1336771072 /nfs/dbraw/zinc/77/10/72/1336771072.db2.gz GFGXIIIDAJKBMM-HNNXBMFYSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2c[nH]nc2-c2ccccc2)C1 ZINC001008107189 1336771075 /nfs/dbraw/zinc/77/10/75/1336771075.db2.gz GFGXIIIDAJKBMM-HNNXBMFYSA-N 1 2 344.846 3.023 20 30 EGEDLO CC1(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)CC=CC1 ZINC001008414897 1336846467 /nfs/dbraw/zinc/84/64/67/1336846467.db2.gz BHCROGOVIVDOQH-KRWDZBQOSA-N 1 2 341.430 3.134 20 30 EGEDLO CC1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)CC=CC1 ZINC001008414897 1336846470 /nfs/dbraw/zinc/84/64/70/1336846470.db2.gz BHCROGOVIVDOQH-KRWDZBQOSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](Cc3nc(C)oc3C)C2)CC1 ZINC001008417047 1336846825 /nfs/dbraw/zinc/84/68/25/1336846825.db2.gz HFFYPZVEHQPQQM-KRWDZBQOSA-N 1 2 331.460 3.118 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](Cc3nc(C)oc3C)C2)CC1 ZINC001008417047 1336846828 /nfs/dbraw/zinc/84/68/28/1336846828.db2.gz HFFYPZVEHQPQQM-KRWDZBQOSA-N 1 2 331.460 3.118 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(F)ccc3F)C2)C1 ZINC001008438286 1336853397 /nfs/dbraw/zinc/85/33/97/1336853397.db2.gz WINRRWGEELIGDC-MRXNPFEDSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(F)ccc3F)C2)C1 ZINC001008438286 1336853400 /nfs/dbraw/zinc/85/34/00/1336853400.db2.gz WINRRWGEELIGDC-MRXNPFEDSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001008462480 1336862342 /nfs/dbraw/zinc/86/23/42/1336862342.db2.gz CRGLGOXJAHQIJZ-KRWDZBQOSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001008462480 1336862344 /nfs/dbraw/zinc/86/23/44/1336862344.db2.gz CRGLGOXJAHQIJZ-KRWDZBQOSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(N3CCCC3)c2)C1 ZINC001008974272 1336950467 /nfs/dbraw/zinc/95/04/67/1336950467.db2.gz AMZOPQAPOMZISY-KRWDZBQOSA-N 1 2 347.890 3.234 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cccc(N3CCCC3)c2)C1 ZINC001008974272 1336950471 /nfs/dbraw/zinc/95/04/71/1336950471.db2.gz AMZOPQAPOMZISY-KRWDZBQOSA-N 1 2 347.890 3.234 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc3ccn(C)c3c2)C1 ZINC001009095146 1336968394 /nfs/dbraw/zinc/96/83/94/1336968394.db2.gz MUARTMHJGAUWHO-INIZCTEOSA-N 1 2 331.847 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3ccn(C)c3c2)C1 ZINC001009095146 1336968397 /nfs/dbraw/zinc/96/83/97/1336968397.db2.gz MUARTMHJGAUWHO-INIZCTEOSA-N 1 2 331.847 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc3cnccc32)C1 ZINC001009529653 1337033806 /nfs/dbraw/zinc/03/38/06/1337033806.db2.gz OKSUHXPTNOBFLO-OAHLLOKOSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccc3cnccc32)C1 ZINC001009529653 1337033809 /nfs/dbraw/zinc/03/38/09/1337033809.db2.gz OKSUHXPTNOBFLO-OAHLLOKOSA-N 1 2 329.831 3.182 20 30 EGEDLO C#Cc1ccc(C(=O)N2CCC[C@H](C)[C@H]2CNc2cc[nH+]c(C)n2)cc1 ZINC001063955602 1352109348 /nfs/dbraw/zinc/10/93/48/1352109348.db2.gz FFGQIKNKOCRPOB-HNAYVOBHSA-N 1 2 348.450 3.119 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)C=C3CCCCC3)C2)c1 ZINC001010356991 1337181514 /nfs/dbraw/zinc/18/15/14/1337181514.db2.gz WVSARPXCOSEHQB-GOSISDBHSA-N 1 2 341.430 3.278 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)C=C3CCCCC3)C2)c1 ZINC001010356991 1337181517 /nfs/dbraw/zinc/18/15/17/1337181517.db2.gz WVSARPXCOSEHQB-GOSISDBHSA-N 1 2 341.430 3.278 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CC3=CCCCC3)C2)c(F)c1 ZINC001010383753 1337186787 /nfs/dbraw/zinc/18/67/87/1337186787.db2.gz YNRFMBIMEDWRNS-GOSISDBHSA-N 1 2 341.430 3.278 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CC3=CCCCC3)C2)c(F)c1 ZINC001010383753 1337186788 /nfs/dbraw/zinc/18/67/88/1337186788.db2.gz YNRFMBIMEDWRNS-GOSISDBHSA-N 1 2 341.430 3.278 20 30 EGEDLO Cc1cscc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001010482071 1337204749 /nfs/dbraw/zinc/20/47/49/1337204749.db2.gz JPORDEFLELMGNS-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1cscc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001010482071 1337204753 /nfs/dbraw/zinc/20/47/53/1337204753.db2.gz JPORDEFLELMGNS-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)co1 ZINC001010760786 1337254457 /nfs/dbraw/zinc/25/44/57/1337254457.db2.gz RMJNTLUEPSCYAM-GOSISDBHSA-N 1 2 342.826 3.097 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)co1 ZINC001010760786 1337254458 /nfs/dbraw/zinc/25/44/58/1337254458.db2.gz RMJNTLUEPSCYAM-GOSISDBHSA-N 1 2 342.826 3.097 20 30 EGEDLO CC(C)c1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)cn1 ZINC001014713297 1337878682 /nfs/dbraw/zinc/87/86/82/1337878682.db2.gz KDMMEPBUSMPDCS-LJQANCHMSA-N 1 2 348.450 3.081 20 30 EGEDLO CC(C)c1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cn1 ZINC001014713297 1337878685 /nfs/dbraw/zinc/87/86/85/1337878685.db2.gz KDMMEPBUSMPDCS-LJQANCHMSA-N 1 2 348.450 3.081 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(C)c(Cl)c2)C1 ZINC001014915315 1337950283 /nfs/dbraw/zinc/95/02/83/1337950283.db2.gz JRQKHAINTURCMY-CQSZACIVSA-N 1 2 327.255 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(C)c(Cl)c2)C1 ZINC001014915315 1337950287 /nfs/dbraw/zinc/95/02/87/1337950287.db2.gz JRQKHAINTURCMY-CQSZACIVSA-N 1 2 327.255 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC001015138583 1338028830 /nfs/dbraw/zinc/02/88/30/1338028830.db2.gz ZLGUVJDELJTGQZ-MRXNPFEDSA-N 1 2 329.831 3.034 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC001015138583 1338028832 /nfs/dbraw/zinc/02/88/32/1338028832.db2.gz ZLGUVJDELJTGQZ-MRXNPFEDSA-N 1 2 329.831 3.034 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)c(C)s1 ZINC001015153958 1338037542 /nfs/dbraw/zinc/03/75/42/1338037542.db2.gz VWLUDGZRWDDTDJ-ZDUSSCGKSA-N 1 2 345.493 3.302 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)c(C)s1 ZINC001015153958 1338037545 /nfs/dbraw/zinc/03/75/45/1338037545.db2.gz VWLUDGZRWDDTDJ-ZDUSSCGKSA-N 1 2 345.493 3.302 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)C[C@H]3CC=CCC3)C2)c1 ZINC001015525813 1338167315 /nfs/dbraw/zinc/16/73/15/1338167315.db2.gz BNLLAUCZCGDOOL-YJBOKZPZSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)C[C@H]3CC=CCC3)C2)c1 ZINC001015525813 1338167318 /nfs/dbraw/zinc/16/73/18/1338167318.db2.gz BNLLAUCZCGDOOL-YJBOKZPZSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(F)ccc3F)C2)CC1 ZINC001015659674 1338238790 /nfs/dbraw/zinc/23/87/90/1338238790.db2.gz HPDZLLMCSMQGEG-QGZVFWFLSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cc(F)ccc3F)C2)CC1 ZINC001015659674 1338238794 /nfs/dbraw/zinc/23/87/94/1338238794.db2.gz HPDZLLMCSMQGEG-QGZVFWFLSA-N 1 2 334.410 3.402 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C3(F)CCCCC3)C2)c(F)c1 ZINC001015944429 1338370053 /nfs/dbraw/zinc/37/00/53/1338370053.db2.gz KQZJFGWVNBDWJT-MRXNPFEDSA-N 1 2 347.409 3.060 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C3(F)CCCCC3)C2)c(F)c1 ZINC001015944429 1338370054 /nfs/dbraw/zinc/37/00/54/1338370054.db2.gz KQZJFGWVNBDWJT-MRXNPFEDSA-N 1 2 347.409 3.060 20 30 EGEDLO CCc1cc(C)c(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)o1 ZINC001015999419 1338399773 /nfs/dbraw/zinc/39/97/73/1338399773.db2.gz OKJRONPCFCHTGH-SFHVURJKSA-N 1 2 336.435 3.006 20 30 EGEDLO CCc1cc(C)c(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)o1 ZINC001015999419 1338399777 /nfs/dbraw/zinc/39/97/77/1338399777.db2.gz OKJRONPCFCHTGH-SFHVURJKSA-N 1 2 336.435 3.006 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(OC3CCC3)cc2)C1 ZINC001016300342 1338539503 /nfs/dbraw/zinc/53/95/03/1338539503.db2.gz IZDOSXIPZULQFY-HNNXBMFYSA-N 1 2 334.847 3.175 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(OC3CCC3)cc2)C1 ZINC001016300342 1338539508 /nfs/dbraw/zinc/53/95/08/1338539508.db2.gz IZDOSXIPZULQFY-HNNXBMFYSA-N 1 2 334.847 3.175 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2cccs2)c1 ZINC001017315645 1339326904 /nfs/dbraw/zinc/32/69/04/1339326904.db2.gz UUTSKPSABAJWPC-CALCHBBNSA-N 1 2 337.448 3.109 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2cccs2)c1 ZINC001017315645 1339326906 /nfs/dbraw/zinc/32/69/06/1339326906.db2.gz UUTSKPSABAJWPC-CALCHBBNSA-N 1 2 337.448 3.109 20 30 EGEDLO C[C@H](c1ccccc1Cl)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001017535798 1339363484 /nfs/dbraw/zinc/36/34/84/1339363484.db2.gz OZQBGFKVGCXTFM-OIISXLGYSA-N 1 2 342.870 3.490 20 30 EGEDLO C[C@H](c1ccccc1Cl)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001017535798 1339363486 /nfs/dbraw/zinc/36/34/86/1339363486.db2.gz OZQBGFKVGCXTFM-OIISXLGYSA-N 1 2 342.870 3.490 20 30 EGEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1oc2ccc(F)cc2c1C ZINC001017621665 1339378247 /nfs/dbraw/zinc/37/82/47/1339378247.db2.gz VFSJEKCIRMHMHP-GASCZTMLSA-N 1 2 328.387 3.355 20 30 EGEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1oc2ccc(F)cc2c1C ZINC001017621665 1339378248 /nfs/dbraw/zinc/37/82/48/1339378248.db2.gz VFSJEKCIRMHMHP-GASCZTMLSA-N 1 2 328.387 3.355 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(Cl)c1Cl ZINC001018211322 1339534652 /nfs/dbraw/zinc/53/46/52/1339534652.db2.gz AMJSCKNCSFTZSS-BETUJISGSA-N 1 2 337.250 3.306 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(Cl)c1Cl ZINC001018211322 1339534654 /nfs/dbraw/zinc/53/46/54/1339534654.db2.gz AMJSCKNCSFTZSS-BETUJISGSA-N 1 2 337.250 3.306 20 30 EGEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2cccs2)o1 ZINC001018226643 1339540258 /nfs/dbraw/zinc/54/02/58/1339540258.db2.gz ORKXBMKJNGKFBT-OKILXGFUSA-N 1 2 328.437 3.483 20 30 EGEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2cccs2)o1 ZINC001018226643 1339540262 /nfs/dbraw/zinc/54/02/62/1339540262.db2.gz ORKXBMKJNGKFBT-OKILXGFUSA-N 1 2 328.437 3.483 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(F)c(F)cc1F ZINC001028104658 1340428567 /nfs/dbraw/zinc/42/85/67/1340428567.db2.gz DTFDISAUDBATSH-JTQLQIEISA-N 1 2 332.753 3.051 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(F)c(F)cc1F ZINC001028104658 1340428570 /nfs/dbraw/zinc/42/85/70/1340428570.db2.gz DTFDISAUDBATSH-JTQLQIEISA-N 1 2 332.753 3.051 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1c(F)ccc(F)c1F ZINC001028104662 1340428621 /nfs/dbraw/zinc/42/86/21/1340428621.db2.gz DXHRTZLFFOQXDW-JTQLQIEISA-N 1 2 332.753 3.051 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1c(F)ccc(F)c1F ZINC001028104662 1340428623 /nfs/dbraw/zinc/42/86/23/1340428623.db2.gz DXHRTZLFFOQXDW-JTQLQIEISA-N 1 2 332.753 3.051 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@H+]2Cc2nc(C)c(C)o2)CC1 ZINC001028114262 1340435405 /nfs/dbraw/zinc/43/54/05/1340435405.db2.gz GDZOALSRDGFLTJ-QGZVFWFLSA-N 1 2 331.460 3.118 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+]2Cc2nc(C)c(C)o2)CC1 ZINC001028114262 1340435407 /nfs/dbraw/zinc/43/54/07/1340435407.db2.gz GDZOALSRDGFLTJ-QGZVFWFLSA-N 1 2 331.460 3.118 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(F)cc2cccnc21 ZINC001028177553 1340469597 /nfs/dbraw/zinc/46/95/97/1340469597.db2.gz GESCEGBZIUCJCM-OAHLLOKOSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)cc2cccnc21 ZINC001028177553 1340469599 /nfs/dbraw/zinc/46/95/99/1340469599.db2.gz GESCEGBZIUCJCM-OAHLLOKOSA-N 1 2 347.821 3.321 20 30 EGEDLO O=C(/C=C/c1ccco1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029192991 1340952126 /nfs/dbraw/zinc/95/21/26/1340952126.db2.gz ZAIKBBRQODSFER-VOJLHISBSA-N 1 2 346.430 3.020 20 30 EGEDLO O=C(/C=C/c1ccco1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029192991 1340952127 /nfs/dbraw/zinc/95/21/27/1340952127.db2.gz ZAIKBBRQODSFER-VOJLHISBSA-N 1 2 346.430 3.020 20 30 EGEDLO CC(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029216549 1340956585 /nfs/dbraw/zinc/95/65/85/1340956585.db2.gz OAIRIMNVPKPMKV-HDICACEKSA-N 1 2 330.859 3.023 20 30 EGEDLO CC(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029216549 1340956588 /nfs/dbraw/zinc/95/65/88/1340956588.db2.gz OAIRIMNVPKPMKV-HDICACEKSA-N 1 2 330.859 3.023 20 30 EGEDLO O=C(CCC1CCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029261537 1340963041 /nfs/dbraw/zinc/96/30/41/1340963041.db2.gz PYZQHSDUKUIJDL-OYRHEFFESA-N 1 2 336.479 3.294 20 30 EGEDLO O=C(CCC1CCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029261537 1340963042 /nfs/dbraw/zinc/96/30/42/1340963042.db2.gz PYZQHSDUKUIJDL-OYRHEFFESA-N 1 2 336.479 3.294 20 30 EGEDLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C#N)s2)CCCC1 ZINC001029412308 1340985178 /nfs/dbraw/zinc/98/51/78/1340985178.db2.gz AHESPRQDSOQROX-GASCZTMLSA-N 1 2 343.496 3.375 20 30 EGEDLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)s2)CCCC1 ZINC001029412308 1340985180 /nfs/dbraw/zinc/98/51/80/1340985180.db2.gz AHESPRQDSOQROX-GASCZTMLSA-N 1 2 343.496 3.375 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029499279 1341001120 /nfs/dbraw/zinc/00/11/20/1341001120.db2.gz FFNQJHUYKVXWGD-KFWWJZLASA-N 1 2 331.485 3.087 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029499279 1341001122 /nfs/dbraw/zinc/00/11/22/1341001122.db2.gz FFNQJHUYKVXWGD-KFWWJZLASA-N 1 2 331.485 3.087 20 30 EGEDLO C[C@@H]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2C#N)C1 ZINC001029500459 1341001565 /nfs/dbraw/zinc/00/15/65/1341001565.db2.gz DRMDCEWQRSIICJ-SMOSDQRPSA-N 1 2 337.467 3.170 20 30 EGEDLO C[C@@H]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2C#N)C1 ZINC001029500459 1341001566 /nfs/dbraw/zinc/00/15/66/1341001566.db2.gz DRMDCEWQRSIICJ-SMOSDQRPSA-N 1 2 337.467 3.170 20 30 EGEDLO CC(C)[C@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029533844 1341006585 /nfs/dbraw/zinc/00/65/85/1341006585.db2.gz CZSXYSJUFJSUKS-PLACYPQZSA-N 1 2 336.479 3.005 20 30 EGEDLO CC(C)[C@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029533844 1341006587 /nfs/dbraw/zinc/00/65/87/1341006587.db2.gz CZSXYSJUFJSUKS-PLACYPQZSA-N 1 2 336.479 3.005 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@@H](C[N@@H+](C)[C@@H](C)c3csnn3)C2)CC1 ZINC001029826756 1341087591 /nfs/dbraw/zinc/08/75/91/1341087591.db2.gz VISGFMOIRSQSBC-GJZGRUSLSA-N 1 2 348.516 3.126 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@@H](C[N@H+](C)[C@@H](C)c3csnn3)C2)CC1 ZINC001029826756 1341087592 /nfs/dbraw/zinc/08/75/92/1341087592.db2.gz VISGFMOIRSQSBC-GJZGRUSLSA-N 1 2 348.516 3.126 20 30 EGEDLO C=C1CC(C)(C(=O)NC2C[NH+]([C@H]3CCCc4ccc(F)cc43)C2)C1 ZINC001030924724 1341250887 /nfs/dbraw/zinc/25/08/87/1341250887.db2.gz XOIPTDMPRRSMEH-SFHVURJKSA-N 1 2 328.431 3.360 20 30 EGEDLO C[C@@H]1C[C@@H]1c1ccc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)o1 ZINC001031665341 1341385249 /nfs/dbraw/zinc/38/52/49/1341385249.db2.gz YCJFORHSTXACJF-KDOFPFPSSA-N 1 2 349.434 3.136 20 30 EGEDLO C[C@@H]1CCC[C@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001031937810 1341426286 /nfs/dbraw/zinc/42/62/86/1341426286.db2.gz GWGMZMONVISDPD-PBHICJAKSA-N 1 2 343.446 3.072 20 30 EGEDLO C=C1CCC(C(=O)NCC2C[NH+](Cc3cc(F)ccc3OC)C2)CC1 ZINC001031950245 1341429530 /nfs/dbraw/zinc/42/95/30/1341429530.db2.gz YUIKWBWVWMVLHT-UHFFFAOYSA-N 1 2 346.446 3.129 20 30 EGEDLO Cc1cc(C)cc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)c1 ZINC001032151213 1341464876 /nfs/dbraw/zinc/46/48/76/1341464876.db2.gz CRQYNMSFJIMMHF-UHFFFAOYSA-N 1 2 333.435 3.037 20 30 EGEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032515455 1341528309 /nfs/dbraw/zinc/52/83/09/1341528309.db2.gz ZNHSELSWEDYCAG-INDMIFKZSA-N 1 2 337.467 3.026 20 30 EGEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032515455 1341528310 /nfs/dbraw/zinc/52/83/10/1341528310.db2.gz ZNHSELSWEDYCAG-INDMIFKZSA-N 1 2 337.467 3.026 20 30 EGEDLO C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1)c1ccccc1 ZINC001032737437 1341595878 /nfs/dbraw/zinc/59/58/78/1341595878.db2.gz QJOPVPBCZVMNTR-NDXORKPFSA-N 1 2 345.446 3.147 20 30 EGEDLO C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1)c1ccccc1 ZINC001032737437 1341595879 /nfs/dbraw/zinc/59/58/79/1341595879.db2.gz QJOPVPBCZVMNTR-NDXORKPFSA-N 1 2 345.446 3.147 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C)C1 ZINC001032882125 1341650263 /nfs/dbraw/zinc/65/02/63/1341650263.db2.gz YYWYWCHKPIAWCY-CQSZACIVSA-N 1 2 337.261 3.050 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C)C1 ZINC001032882125 1341650264 /nfs/dbraw/zinc/65/02/64/1341650264.db2.gz YYWYWCHKPIAWCY-CQSZACIVSA-N 1 2 337.261 3.050 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3cc(OC)ccc32)C1 ZINC001033133177 1341736557 /nfs/dbraw/zinc/73/65/57/1341736557.db2.gz BVWJURKEDGCSCP-MAUKXSAKSA-N 1 2 348.874 3.010 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3cc(OC)ccc32)C1 ZINC001033133177 1341736559 /nfs/dbraw/zinc/73/65/59/1341736559.db2.gz BVWJURKEDGCSCP-MAUKXSAKSA-N 1 2 348.874 3.010 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccnc(-c3ccco3)c2)C1 ZINC001033177079 1341746489 /nfs/dbraw/zinc/74/64/89/1341746489.db2.gz MCAQQUJJZZMKPW-HNNXBMFYSA-N 1 2 345.830 3.240 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccnc(-c3ccco3)c2)C1 ZINC001033177079 1341746490 /nfs/dbraw/zinc/74/64/90/1341746490.db2.gz MCAQQUJJZZMKPW-HNNXBMFYSA-N 1 2 345.830 3.240 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@H]2CC[N@@H+]([C@H](C)c3ncc(C)o3)C2)CC1 ZINC001033389322 1341808204 /nfs/dbraw/zinc/80/82/04/1341808204.db2.gz MZBQLYNAVQFYHO-WBVHZDCISA-N 1 2 331.460 3.323 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@H]2CC[N@H+]([C@H](C)c3ncc(C)o3)C2)CC1 ZINC001033389322 1341808205 /nfs/dbraw/zinc/80/82/05/1341808205.db2.gz MZBQLYNAVQFYHO-WBVHZDCISA-N 1 2 331.460 3.323 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001033442931 1341825725 /nfs/dbraw/zinc/82/57/25/1341825725.db2.gz KIZWSWPKGLVCLY-LLVKDONJSA-N 1 2 332.753 3.003 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001033442931 1341825728 /nfs/dbraw/zinc/82/57/28/1341825728.db2.gz KIZWSWPKGLVCLY-LLVKDONJSA-N 1 2 332.753 3.003 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnc3ccccc3c2)C1 ZINC001033451011 1341829493 /nfs/dbraw/zinc/82/94/93/1341829493.db2.gz AEZWDENENVKDHH-MRXNPFEDSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc3ccccc3c2)C1 ZINC001033451011 1341829494 /nfs/dbraw/zinc/82/94/94/1341829494.db2.gz AEZWDENENVKDHH-MRXNPFEDSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2coc3ccccc23)C1 ZINC001033529534 1341859612 /nfs/dbraw/zinc/85/96/12/1341859612.db2.gz NTOYHUWLXSHPIV-OAHLLOKOSA-N 1 2 332.831 3.261 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2coc3ccccc23)C1 ZINC001033529534 1341859616 /nfs/dbraw/zinc/85/96/16/1341859616.db2.gz NTOYHUWLXSHPIV-OAHLLOKOSA-N 1 2 332.831 3.261 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2c(F)cccc2Cl)C1 ZINC001033611145 1341901508 /nfs/dbraw/zinc/90/15/08/1341901508.db2.gz LMOAKHMVNGCKLT-LBPRGKRZSA-N 1 2 345.245 3.307 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c(F)cccc2Cl)C1 ZINC001033611145 1341901510 /nfs/dbraw/zinc/90/15/10/1341901510.db2.gz LMOAKHMVNGCKLT-LBPRGKRZSA-N 1 2 345.245 3.307 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001033695299 1341960878 /nfs/dbraw/zinc/96/08/78/1341960878.db2.gz HWNOGZMSBGRSHK-IUODEOHRSA-N 1 2 339.266 3.265 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001033695299 1341960880 /nfs/dbraw/zinc/96/08/80/1341960880.db2.gz HWNOGZMSBGRSHK-IUODEOHRSA-N 1 2 339.266 3.265 20 30 EGEDLO CCN(C(=O)[C@H]1C[C@@H]1C)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033925807 1342091796 /nfs/dbraw/zinc/09/17/96/1342091796.db2.gz XJFJWZKQZQKFNA-SZMVWBNQSA-N 1 2 344.886 3.270 20 30 EGEDLO CCN(C(=O)[C@H]1C[C@@H]1C)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033925807 1342091798 /nfs/dbraw/zinc/09/17/98/1342091798.db2.gz XJFJWZKQZQKFNA-SZMVWBNQSA-N 1 2 344.886 3.270 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)C2CC3(CC3)C2)C1 ZINC001033955122 1342111929 /nfs/dbraw/zinc/11/19/29/1342111929.db2.gz IYPAWLDQVPGBMJ-CQSZACIVSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC3(CC3)C2)C1 ZINC001033955122 1342111930 /nfs/dbraw/zinc/11/19/30/1342111930.db2.gz IYPAWLDQVPGBMJ-CQSZACIVSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001033961154 1342114102 /nfs/dbraw/zinc/11/41/02/1342114102.db2.gz FDORPMYYNPCPSE-GFCCVEGCSA-N 1 2 346.780 3.393 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001033961154 1342114109 /nfs/dbraw/zinc/11/41/09/1342114109.db2.gz FDORPMYYNPCPSE-GFCCVEGCSA-N 1 2 346.780 3.393 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ncccc2Cl)C1 ZINC001034020792 1342158043 /nfs/dbraw/zinc/15/80/43/1342158043.db2.gz NHQVZBJPNTXNGP-LBPRGKRZSA-N 1 2 328.243 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ncccc2Cl)C1 ZINC001034020792 1342158044 /nfs/dbraw/zinc/15/80/44/1342158044.db2.gz NHQVZBJPNTXNGP-LBPRGKRZSA-N 1 2 328.243 3.024 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@@H](NC(=O)C2CC=CC2)C1 ZINC001034146117 1342270583 /nfs/dbraw/zinc/27/05/83/1342270583.db2.gz UFGWIYWXQDGIBZ-LJQANCHMSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H](NC(=O)C2CC=CC2)C1 ZINC001034146117 1342270587 /nfs/dbraw/zinc/27/05/87/1342270587.db2.gz UFGWIYWXQDGIBZ-LJQANCHMSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001034286449 1342374143 /nfs/dbraw/zinc/37/41/43/1342374143.db2.gz QLMPYHGMOHLFBA-CYBMUJFWSA-N 1 2 338.883 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001034286449 1342374145 /nfs/dbraw/zinc/37/41/45/1342374145.db2.gz QLMPYHGMOHLFBA-CYBMUJFWSA-N 1 2 338.883 3.044 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2c(C)cc(C)nc2C)C1 ZINC001034321604 1342397980 /nfs/dbraw/zinc/39/79/80/1342397980.db2.gz WDYQJEIMQZBDJH-MRXNPFEDSA-N 1 2 335.879 3.344 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2c(C)cc(C)nc2C)C1 ZINC001034321604 1342397984 /nfs/dbraw/zinc/39/79/84/1342397984.db2.gz WDYQJEIMQZBDJH-MRXNPFEDSA-N 1 2 335.879 3.344 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@@H+]([C@H](C)c3nc(CC)no3)C2)C1 ZINC001034387785 1342456220 /nfs/dbraw/zinc/45/62/20/1342456220.db2.gz VUYMAOTXTHUULH-CABCVRRESA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@H+]([C@H](C)c3nc(CC)no3)C2)C1 ZINC001034387785 1342456224 /nfs/dbraw/zinc/45/62/24/1342456224.db2.gz VUYMAOTXTHUULH-CABCVRRESA-N 1 2 346.475 3.020 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001034409284 1342471168 /nfs/dbraw/zinc/47/11/68/1342471168.db2.gz QVNWQRIEFMDLOJ-MDASCCDHSA-N 1 2 343.446 3.214 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001034409284 1342471172 /nfs/dbraw/zinc/47/11/72/1342471172.db2.gz QVNWQRIEFMDLOJ-MDASCCDHSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(CCCC)no1 ZINC001035011732 1342874996 /nfs/dbraw/zinc/87/49/96/1342874996.db2.gz IDSDWMZSBBMKSM-OAHLLOKOSA-N 1 2 348.491 3.095 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC001035591957 1343095708 /nfs/dbraw/zinc/09/57/08/1343095708.db2.gz ZEIZCVKIBPTOIL-OAHLLOKOSA-N 1 2 343.254 3.000 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC001035591957 1343095714 /nfs/dbraw/zinc/09/57/14/1343095714.db2.gz ZEIZCVKIBPTOIL-OAHLLOKOSA-N 1 2 343.254 3.000 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CCC(F)(F)C1)CC2 ZINC001035718616 1343150653 /nfs/dbraw/zinc/15/06/53/1343150653.db2.gz OHYOOCKNYATWQU-CQSZACIVSA-N 1 2 346.849 3.489 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cc(C)ccc1OC)CC2 ZINC001035744352 1343165122 /nfs/dbraw/zinc/16/51/22/1343165122.db2.gz HQWROXSMENKKPI-UHFFFAOYSA-N 1 2 348.874 3.294 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cccc3cc[nH]c31)CC2 ZINC001035802286 1343204989 /nfs/dbraw/zinc/20/49/89/1343204989.db2.gz JEBSJZSYODVRNS-UHFFFAOYSA-N 1 2 343.858 3.458 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C(C)(C)C(C)(F)F)CC2 ZINC001035842946 1343224949 /nfs/dbraw/zinc/22/49/49/1343224949.db2.gz INSAIGMJKQZOAR-UHFFFAOYSA-N 1 2 334.838 3.345 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)CC[C@@H]1CC[C@@H](C)O1)CC2 ZINC001035854473 1343231619 /nfs/dbraw/zinc/23/16/19/1343231619.db2.gz ZUWZIHIRCBDRAU-CVEARBPZSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC3CCC1CC3)CC2 ZINC001035858309 1343234712 /nfs/dbraw/zinc/23/47/12/1343234712.db2.gz UAMRPGFKJZJYGN-OFLPRAFFSA-N 1 2 336.907 3.490 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc3c(o2)CCCC3)c1 ZINC001038329283 1344382529 /nfs/dbraw/zinc/38/25/29/1344382529.db2.gz BRIAXQGVSOADMA-SFHVURJKSA-N 1 2 349.434 3.034 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc3c(o2)CCCC3)c1 ZINC001038329283 1344382531 /nfs/dbraw/zinc/38/25/31/1344382531.db2.gz BRIAXQGVSOADMA-SFHVURJKSA-N 1 2 349.434 3.034 20 30 EGEDLO C=CCOc1ccccc1C(=O)NC[C@H]1CC[N@H+]1CCC(F)(F)F ZINC001038427154 1344423903 /nfs/dbraw/zinc/42/39/03/1344423903.db2.gz FMAYRLRZDJVXKL-CYBMUJFWSA-N 1 2 342.361 3.008 20 30 EGEDLO C=CCOc1ccccc1C(=O)NC[C@H]1CC[N@@H+]1CCC(F)(F)F ZINC001038427154 1344423905 /nfs/dbraw/zinc/42/39/05/1344423905.db2.gz FMAYRLRZDJVXKL-CYBMUJFWSA-N 1 2 342.361 3.008 20 30 EGEDLO CC(C)c1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)nc1 ZINC001038708968 1344549652 /nfs/dbraw/zinc/54/96/52/1344549652.db2.gz VOAMACLBENIDFE-IBGZPJMESA-N 1 2 348.450 3.081 20 30 EGEDLO CC(C)c1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)nc1 ZINC001038708968 1344549655 /nfs/dbraw/zinc/54/96/55/1344549655.db2.gz VOAMACLBENIDFE-IBGZPJMESA-N 1 2 348.450 3.081 20 30 EGEDLO CC(C)(C)C1CC(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)C1 ZINC001039078334 1344757259 /nfs/dbraw/zinc/75/72/59/1344757259.db2.gz LMLJLAFABKGPLS-YMAMQOFZSA-N 1 2 345.512 3.383 20 30 EGEDLO CC(C)(C)C1CC(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)C1 ZINC001039078334 1344757276 /nfs/dbraw/zinc/75/72/76/1344757276.db2.gz LMLJLAFABKGPLS-YMAMQOFZSA-N 1 2 345.512 3.383 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001039131210 1344809437 /nfs/dbraw/zinc/80/94/37/1344809437.db2.gz HDIBFVOZAIPCCQ-KBPBESRZSA-N 1 2 336.373 3.023 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001039131210 1344809440 /nfs/dbraw/zinc/80/94/40/1344809440.db2.gz HDIBFVOZAIPCCQ-KBPBESRZSA-N 1 2 336.373 3.023 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](F)C(F)(F)F)CC2)C1 ZINC001039131210 1344809443 /nfs/dbraw/zinc/80/94/43/1344809443.db2.gz HDIBFVOZAIPCCQ-KBPBESRZSA-N 1 2 336.373 3.023 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](F)C(F)(F)F)CC2)C1 ZINC001039131210 1344809446 /nfs/dbraw/zinc/80/94/46/1344809446.db2.gz HDIBFVOZAIPCCQ-KBPBESRZSA-N 1 2 336.373 3.023 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(F)c1F ZINC001039424103 1345061539 /nfs/dbraw/zinc/06/15/39/1345061539.db2.gz AXMRFZUGHUWFQK-OLZOCXBDSA-N 1 2 340.801 3.396 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(F)c1F ZINC001039424103 1345061540 /nfs/dbraw/zinc/06/15/40/1345061540.db2.gz AXMRFZUGHUWFQK-OLZOCXBDSA-N 1 2 340.801 3.396 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(N(C)C)c1 ZINC001039464567 1345082119 /nfs/dbraw/zinc/08/21/19/1345082119.db2.gz NQQPXUDOKWHTEV-AEFFLSMTSA-N 1 2 347.890 3.184 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(N(C)C)c1 ZINC001039464567 1345082123 /nfs/dbraw/zinc/08/21/23/1345082123.db2.gz NQQPXUDOKWHTEV-AEFFLSMTSA-N 1 2 347.890 3.184 20 30 EGEDLO C=CCn1cccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C/C=C\Cl ZINC001039644687 1345152740 /nfs/dbraw/zinc/15/27/40/1345152740.db2.gz QCJPUHMOXFOCRS-FGPQALJGSA-N 1 2 333.863 3.106 20 30 EGEDLO C=CCn1cccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C/C=C\Cl ZINC001039644687 1345152744 /nfs/dbraw/zinc/15/27/44/1345152744.db2.gz QCJPUHMOXFOCRS-FGPQALJGSA-N 1 2 333.863 3.106 20 30 EGEDLO CC1(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cccc(C#N)c2)CCC1 ZINC001039840299 1345207126 /nfs/dbraw/zinc/20/71/26/1345207126.db2.gz XRBLWMMIPUKVEX-KDURUIRLSA-N 1 2 337.467 3.314 20 30 EGEDLO CC1(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cccc(C#N)c2)CCC1 ZINC001039840299 1345207129 /nfs/dbraw/zinc/20/71/29/1345207129.db2.gz XRBLWMMIPUKVEX-KDURUIRLSA-N 1 2 337.467 3.314 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ocnc1C ZINC001039897110 1345239722 /nfs/dbraw/zinc/23/97/22/1345239722.db2.gz UQEPYVXVXUXEBG-FCEWJHQRSA-N 1 2 331.460 3.151 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ocnc1C ZINC001039897110 1345239724 /nfs/dbraw/zinc/23/97/24/1345239724.db2.gz UQEPYVXVXUXEBG-FCEWJHQRSA-N 1 2 331.460 3.151 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccn2)C1 ZINC001039906336 1345243497 /nfs/dbraw/zinc/24/34/97/1345243497.db2.gz LFLDRPDHLUCYPN-HDICACEKSA-N 1 2 325.456 3.003 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccn2)C1 ZINC001039906336 1345243500 /nfs/dbraw/zinc/24/35/00/1345243500.db2.gz LFLDRPDHLUCYPN-HDICACEKSA-N 1 2 325.456 3.003 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3sccc3F)C[C@H]21 ZINC001042038384 1345929304 /nfs/dbraw/zinc/92/93/04/1345929304.db2.gz MNLVVEHWVDZGEP-WCQYABFASA-N 1 2 328.840 3.176 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3sccc3F)C[C@H]21 ZINC001042038384 1345929306 /nfs/dbraw/zinc/92/93/06/1345929306.db2.gz MNLVVEHWVDZGEP-WCQYABFASA-N 1 2 328.840 3.176 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(F)s3)C[C@@H]21 ZINC001042373453 1346062074 /nfs/dbraw/zinc/06/20/74/1346062074.db2.gz GLMLNSWNWRBHMX-NEPJUHHUSA-N 1 2 328.840 3.176 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(F)s3)C[C@@H]21 ZINC001042373453 1346062077 /nfs/dbraw/zinc/06/20/77/1346062077.db2.gz GLMLNSWNWRBHMX-NEPJUHHUSA-N 1 2 328.840 3.176 20 30 EGEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1C[NH+](Cc2ccc(C3CCC3)cc2)C1 ZINC001042638470 1346100178 /nfs/dbraw/zinc/10/01/78/1346100178.db2.gz JOZRANLMWRZYGA-UHFFFAOYSA-N 1 2 348.450 3.110 20 30 EGEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](Cc3cc4ccccc4o3)C2)cc1 ZINC001043505549 1346184469 /nfs/dbraw/zinc/18/44/69/1346184469.db2.gz VGZGQGMHUZEBFD-UHFFFAOYSA-N 1 2 344.414 3.371 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)c2ccc(C)o2)CC1 ZINC001045357741 1346572386 /nfs/dbraw/zinc/57/23/86/1346572386.db2.gz WXHQCGXKYSRFMR-UHFFFAOYSA-N 1 2 341.249 3.081 20 30 EGEDLO C=C1CCC(C(=O)NC2(C)CC[NH+]([C@H](C)c3nnc(C)o3)CC2)CC1 ZINC001045544312 1346624917 /nfs/dbraw/zinc/62/49/17/1346624917.db2.gz BRRXUGNRWZLBQL-CQSZACIVSA-N 1 2 346.475 3.156 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(C)s1 ZINC001045840596 1346716245 /nfs/dbraw/zinc/71/62/45/1346716245.db2.gz FNQFTVMUAIBHKK-RVKKMQEKSA-N 1 2 348.516 3.014 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(C)s1 ZINC001045840596 1346716246 /nfs/dbraw/zinc/71/62/46/1346716246.db2.gz FNQFTVMUAIBHKK-RVKKMQEKSA-N 1 2 348.516 3.014 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(-c3ccco3)o2)C1 ZINC001046474210 1346987178 /nfs/dbraw/zinc/98/71/78/1346987178.db2.gz RXMDTYHBLUBMBP-KRWDZBQOSA-N 1 2 334.803 3.486 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(-c3ccco3)o2)C1 ZINC001046474210 1346987179 /nfs/dbraw/zinc/98/71/79/1346987179.db2.gz RXMDTYHBLUBMBP-KRWDZBQOSA-N 1 2 334.803 3.486 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc3ncccc3c2)C1 ZINC001046587137 1347027586 /nfs/dbraw/zinc/02/75/86/1347027586.db2.gz AMYYYXFPCKMWEZ-GOSISDBHSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3ncccc3c2)C1 ZINC001046587137 1347027587 /nfs/dbraw/zinc/02/75/87/1347027587.db2.gz AMYYYXFPCKMWEZ-GOSISDBHSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)C2CCC(=C)CC2)C1 ZINC001046594868 1347031072 /nfs/dbraw/zinc/03/10/72/1347031072.db2.gz QRUJZVPMEPTZSE-INIZCTEOSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)C2CCC(=C)CC2)C1 ZINC001046594868 1347031076 /nfs/dbraw/zinc/03/10/76/1347031076.db2.gz QRUJZVPMEPTZSE-INIZCTEOSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2coc(C3CCCC3)n2)C1 ZINC001046740352 1347078508 /nfs/dbraw/zinc/07/85/08/1347078508.db2.gz RYRIPGPJAACTTC-KRWDZBQOSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2coc(C3CCCC3)n2)C1 ZINC001046740352 1347078510 /nfs/dbraw/zinc/07/85/10/1347078510.db2.gz RYRIPGPJAACTTC-KRWDZBQOSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccccc2F)C1 ZINC001046909506 1347149171 /nfs/dbraw/zinc/14/91/71/1347149171.db2.gz YQVHBHZNXLKCSL-GFCCVEGCSA-N 1 2 346.780 3.265 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccccc2F)C1 ZINC001046909506 1347149172 /nfs/dbraw/zinc/14/91/72/1347149172.db2.gz YQVHBHZNXLKCSL-GFCCVEGCSA-N 1 2 346.780 3.265 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC23CCC3)C1 ZINC001046979720 1347175293 /nfs/dbraw/zinc/17/52/93/1347175293.db2.gz FMEYFDMHOANFHL-OLZOCXBDSA-N 1 2 332.822 3.003 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC23CCC3)C1 ZINC001046979720 1347175296 /nfs/dbraw/zinc/17/52/96/1347175296.db2.gz FMEYFDMHOANFHL-OLZOCXBDSA-N 1 2 332.822 3.003 20 30 EGEDLO Cc1cc(NC[C@@H]2C[C@H](C)CCN2C(=O)[C@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001048061448 1347455642 /nfs/dbraw/zinc/45/56/42/1347455642.db2.gz QBYSWXQQYNGIPP-FMKPAKJESA-N 1 2 343.475 3.107 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC(C)C1 ZINC001049405120 1347828570 /nfs/dbraw/zinc/82/85/70/1347828570.db2.gz GTXHCDVYDXJYDV-RIXNLZLZSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC(C)C1 ZINC001049405120 1347828573 /nfs/dbraw/zinc/82/85/73/1347828573.db2.gz GTXHCDVYDXJYDV-RIXNLZLZSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3Cc2cscn2)CC1 ZINC001049691686 1347974254 /nfs/dbraw/zinc/97/42/54/1347974254.db2.gz YUSIMAJPHBJWHF-ROUUACIJSA-N 1 2 345.512 3.455 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3Cc2cscn2)CC1 ZINC001049691686 1347974255 /nfs/dbraw/zinc/97/42/55/1347974255.db2.gz YUSIMAJPHBJWHF-ROUUACIJSA-N 1 2 345.512 3.455 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3Cc2cscn2)CC1 ZINC001049691688 1347974639 /nfs/dbraw/zinc/97/46/39/1347974639.db2.gz YUSIMAJPHBJWHF-ZWKOTPCHSA-N 1 2 345.512 3.455 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3Cc2cscn2)CC1 ZINC001049691688 1347974641 /nfs/dbraw/zinc/97/46/41/1347974641.db2.gz YUSIMAJPHBJWHF-ZWKOTPCHSA-N 1 2 345.512 3.455 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(C(C)(C)CC)cc1 ZINC001050973983 1348378963 /nfs/dbraw/zinc/37/89/63/1348378963.db2.gz LIBSZQIYZXBFGL-LJQANCHMSA-N 1 2 344.499 3.381 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(C(C)(C)CC)cc1 ZINC001050973983 1348378967 /nfs/dbraw/zinc/37/89/67/1348378967.db2.gz LIBSZQIYZXBFGL-LJQANCHMSA-N 1 2 344.499 3.381 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c(C)csc1Cl ZINC001051226858 1348405844 /nfs/dbraw/zinc/40/58/44/1348405844.db2.gz SFKSGVNCGAHLCR-ZDUSSCGKSA-N 1 2 342.892 3.107 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1c(C)csc1Cl ZINC001051226858 1348405847 /nfs/dbraw/zinc/40/58/47/1348405847.db2.gz SFKSGVNCGAHLCR-ZDUSSCGKSA-N 1 2 342.892 3.107 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C1CCC(C(C)(C)C)CC1 ZINC001051231984 1348406781 /nfs/dbraw/zinc/40/67/81/1348406781.db2.gz KRFVXWYEKKDLKS-DAWZGUTISA-N 1 2 336.520 3.232 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C1CCC(C(C)(C)C)CC1 ZINC001051231984 1348406782 /nfs/dbraw/zinc/40/67/82/1348406782.db2.gz KRFVXWYEKKDLKS-DAWZGUTISA-N 1 2 336.520 3.232 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1oc2ccccc2c1CC ZINC001051263526 1348411608 /nfs/dbraw/zinc/41/16/08/1348411608.db2.gz DFFUXKMTDMYYSL-OAHLLOKOSA-N 1 2 342.439 3.002 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1oc2ccccc2c1CC ZINC001051263526 1348411611 /nfs/dbraw/zinc/41/16/11/1348411611.db2.gz DFFUXKMTDMYYSL-OAHLLOKOSA-N 1 2 342.439 3.002 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)c3ccn(C)c3)cccc2C1 ZINC001051284669 1348417932 /nfs/dbraw/zinc/41/79/32/1348417932.db2.gz AKUFUUSMIBWCBC-UHFFFAOYSA-N 1 2 343.858 3.066 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)c3ccn(C)c3)cccc2C1 ZINC001051284669 1348417933 /nfs/dbraw/zinc/41/79/33/1348417933.db2.gz AKUFUUSMIBWCBC-UHFFFAOYSA-N 1 2 343.858 3.066 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](CC)C1CCC(C)CC1)CCO2 ZINC001053281509 1348990667 /nfs/dbraw/zinc/99/06/67/1348990667.db2.gz NHGOHIOYEXFYNE-CTWPCTMYSA-N 1 2 348.531 3.328 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(CCC)s1)O2 ZINC001053605840 1349074842 /nfs/dbraw/zinc/07/48/42/1349074842.db2.gz MWAPZRXFZWDIMM-HNNXBMFYSA-N 1 2 348.512 3.240 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc2occc2c1 ZINC001054041607 1349136480 /nfs/dbraw/zinc/13/64/80/1349136480.db2.gz ORDABQNPOZCCNO-HXUWFJFHSA-N 1 2 344.414 3.223 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc2occc2c1 ZINC001054041607 1349136483 /nfs/dbraw/zinc/13/64/83/1349136483.db2.gz ORDABQNPOZCCNO-HXUWFJFHSA-N 1 2 344.414 3.223 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001054041190 1349136618 /nfs/dbraw/zinc/13/66/18/1349136618.db2.gz JEKKCMOMYNIGEH-FPOVZHCZSA-N 1 2 336.479 3.299 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001054041190 1349136620 /nfs/dbraw/zinc/13/66/20/1349136620.db2.gz JEKKCMOMYNIGEH-FPOVZHCZSA-N 1 2 336.479 3.299 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc4ccccc4o3)cc2C1 ZINC001054291611 1349296881 /nfs/dbraw/zinc/29/68/81/1349296881.db2.gz YIJZSAOUDAEIEP-UHFFFAOYSA-N 1 2 330.387 3.312 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc4ccccc4o3)cc2C1 ZINC001054291611 1349296885 /nfs/dbraw/zinc/29/68/85/1349296885.db2.gz YIJZSAOUDAEIEP-UHFFFAOYSA-N 1 2 330.387 3.312 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc(OC(C)C)cc3)cc2C1 ZINC001054291566 1349297059 /nfs/dbraw/zinc/29/70/59/1349297059.db2.gz WDUWFCSYRNQXCF-UHFFFAOYSA-N 1 2 348.446 3.353 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc(OC(C)C)cc3)cc2C1 ZINC001054291566 1349297060 /nfs/dbraw/zinc/29/70/60/1349297060.db2.gz WDUWFCSYRNQXCF-UHFFFAOYSA-N 1 2 348.446 3.353 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001056767707 1349934272 /nfs/dbraw/zinc/93/42/72/1349934272.db2.gz KEAFSWANIQGCKS-QRWLVFNGSA-N 1 2 342.487 3.279 20 30 EGEDLO CC(C)c1cc(N[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)nc(C(C)C)[nH+]1 ZINC001057594552 1350085686 /nfs/dbraw/zinc/08/56/86/1350085686.db2.gz SXHLDOQMMBTOGD-CABCVRRESA-N 1 2 343.475 3.286 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(Cl)n3)C[C@H]2C)CC1 ZINC001080383681 1357597586 /nfs/dbraw/zinc/59/75/86/1357597586.db2.gz QTNKPMSMBFZBSQ-RHSMWYFYSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cccc(Cl)n3)C[C@H]2C)CC1 ZINC001080383681 1357597590 /nfs/dbraw/zinc/59/75/90/1357597590.db2.gz QTNKPMSMBFZBSQ-RHSMWYFYSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3csc(CC)n3)C[C@H]2C)CC1 ZINC001080384511 1357597741 /nfs/dbraw/zinc/59/77/41/1357597741.db2.gz BAIAEWDINRUVAV-RHSMWYFYSA-N 1 2 347.528 3.388 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3csc(CC)n3)C[C@H]2C)CC1 ZINC001080384511 1357597745 /nfs/dbraw/zinc/59/77/45/1357597745.db2.gz BAIAEWDINRUVAV-RHSMWYFYSA-N 1 2 347.528 3.388 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ncc(C)o3)C[C@H]2C)CC1 ZINC001080391475 1357601406 /nfs/dbraw/zinc/60/14/06/1357601406.db2.gz IEPLEQXMZKURKI-UKPHBRMFSA-N 1 2 331.460 3.227 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3ncc(C)o3)C[C@H]2C)CC1 ZINC001080391475 1357601413 /nfs/dbraw/zinc/60/14/13/1357601413.db2.gz IEPLEQXMZKURKI-UKPHBRMFSA-N 1 2 331.460 3.227 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3ncc(C(C)C)o3)C[C@H]2C)C1 ZINC001080404636 1357608303 /nfs/dbraw/zinc/60/83/03/1357608303.db2.gz RGRFSUHEEBSOQH-HUUCEWRRSA-N 1 2 331.460 3.091 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3ncc(C(C)C)o3)C[C@H]2C)C1 ZINC001080404636 1357608309 /nfs/dbraw/zinc/60/83/09/1357608309.db2.gz RGRFSUHEEBSOQH-HUUCEWRRSA-N 1 2 331.460 3.091 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2CNc2cc[nH+]c(C)n2)cc1 ZINC001064185780 1352512674 /nfs/dbraw/zinc/51/26/74/1352512674.db2.gz FBQYVOGVKQKERR-MOPGFXCFSA-N 1 2 348.450 3.167 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC2(C1)CCN(c1cc[nH+]c(C)n1)CC2 ZINC001064587835 1352634812 /nfs/dbraw/zinc/63/48/12/1352634812.db2.gz LVRCYRZBONFCKW-IBGZPJMESA-N 1 2 342.487 3.206 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@](C)(CNc3cc[nH+]c(C)n3)C2)CC1 ZINC001065480991 1352806949 /nfs/dbraw/zinc/80/69/49/1352806949.db2.gz ZCUNLAGBFORWNN-LJQANCHMSA-N 1 2 328.460 3.182 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@]2(CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001066872594 1353260946 /nfs/dbraw/zinc/26/09/46/1353260946.db2.gz SIVFUAFIEUGLQE-UXHICEINSA-N 1 2 342.487 3.206 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)[C@H](C)C2)C1 ZINC001067572503 1353443163 /nfs/dbraw/zinc/44/31/63/1353443163.db2.gz FMUJZUOKCJTMLR-DYVFJYSZSA-N 1 2 342.487 3.232 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2Cc3ccccc3[C@H]2Nc2cc[nH+]c(C)n2)C1 ZINC001067721300 1353492293 /nfs/dbraw/zinc/49/22/93/1353492293.db2.gz YAXHOHRZJPINPC-IEBWSBKVSA-N 1 2 348.450 3.335 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001067786178 1353521788 /nfs/dbraw/zinc/52/17/88/1353521788.db2.gz WINFWZPNGWYHJT-MRXNPFEDSA-N 1 2 330.476 3.041 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CCCc3ccccc32)C1 ZINC001080622267 1357702862 /nfs/dbraw/zinc/70/28/62/1357702862.db2.gz LSDBKZUNSIRQMT-LXGCGDOSSA-N 1 2 346.902 3.470 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CCCc3ccccc32)C1 ZINC001080622267 1357702870 /nfs/dbraw/zinc/70/28/70/1357702870.db2.gz LSDBKZUNSIRQMT-LXGCGDOSSA-N 1 2 346.902 3.470 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC(N(C)c2nc(C)[nH+]c(C)c2C)CC1 ZINC001068714469 1353764257 /nfs/dbraw/zinc/76/42/57/1353764257.db2.gz UVYNQJHEUAMXHP-UHFFFAOYSA-N 1 2 344.503 3.431 20 30 EGEDLO C=C1CCC(C(=O)N[C@H](C)C2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC001069652507 1354192411 /nfs/dbraw/zinc/19/24/11/1354192411.db2.gz YJBVKKHNGXBVOV-OAHLLOKOSA-N 1 2 342.487 3.253 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)C1CCCCC1)C[C@H](C)O2 ZINC001071131222 1354469424 /nfs/dbraw/zinc/46/94/24/1354469424.db2.gz BXPBJQHOCARHGE-YJBOKZPZSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C1CCCCC1)C[C@H](C)O2 ZINC001071131222 1354469427 /nfs/dbraw/zinc/46/94/27/1354469427.db2.gz BXPBJQHOCARHGE-YJBOKZPZSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)C2CCCCC2)CC[C@H]1C ZINC001071312080 1354571405 /nfs/dbraw/zinc/57/14/05/1354571405.db2.gz GJCITIHNDWDJSN-HIFRSBDPSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)C2CCCCC2)CC[C@H]1C ZINC001071312080 1354571407 /nfs/dbraw/zinc/57/14/07/1354571407.db2.gz GJCITIHNDWDJSN-HIFRSBDPSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C(F)C(F)(F)F)C2)CC1 ZINC001086924363 1359249825 /nfs/dbraw/zinc/24/98/25/1359249825.db2.gz QGKJGMUZDOYQQC-CHWSQXEVSA-N 1 2 336.373 3.166 20 30 EGEDLO C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](F)C(F)(F)F)C2)CC1 ZINC001086924363 1359249826 /nfs/dbraw/zinc/24/98/26/1359249826.db2.gz QGKJGMUZDOYQQC-CHWSQXEVSA-N 1 2 336.373 3.166 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)c2ccoc2)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001071349739 1354616512 /nfs/dbraw/zinc/61/65/12/1354616512.db2.gz LIMLFBBUDCWKAW-DYVFJYSZSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)c2ccoc2)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001071349739 1354616520 /nfs/dbraw/zinc/61/65/20/1354616520.db2.gz LIMLFBBUDCWKAW-DYVFJYSZSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C2CC=CC2)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC001071405114 1354668146 /nfs/dbraw/zinc/66/81/46/1354668146.db2.gz YVDZFNZVORKSLQ-RDTXWAMCSA-N 1 2 341.430 3.133 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C2CC=CC2)C[N@H+]1Cc1cc(C#N)ccc1F ZINC001071405114 1354668149 /nfs/dbraw/zinc/66/81/49/1354668149.db2.gz YVDZFNZVORKSLQ-RDTXWAMCSA-N 1 2 341.430 3.133 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cncc(Cl)c2C)CC[C@H]1C ZINC001071585062 1354779157 /nfs/dbraw/zinc/77/91/57/1354779157.db2.gz VLQSKIDTDPWKGE-YPMHNXCESA-N 1 2 342.270 3.379 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cncc(Cl)c2C)CC[C@H]1C ZINC001071585062 1354779160 /nfs/dbraw/zinc/77/91/60/1354779160.db2.gz VLQSKIDTDPWKGE-YPMHNXCESA-N 1 2 342.270 3.379 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc3c(cn2)CCCC3)CC[C@@H]1C ZINC001071665737 1354837360 /nfs/dbraw/zinc/83/73/60/1354837360.db2.gz HMJSLZNQZHPVCV-WMLDXEAASA-N 1 2 347.890 3.296 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc3c(cn2)CCCC3)CC[C@@H]1C ZINC001071665737 1354837363 /nfs/dbraw/zinc/83/73/63/1354837363.db2.gz HMJSLZNQZHPVCV-WMLDXEAASA-N 1 2 347.890 3.296 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccc3c2CCOC3)CC[C@H]1C ZINC001071678715 1354846122 /nfs/dbraw/zinc/84/61/22/1354846122.db2.gz GCIARJARDOPWRO-GDBMZVCRSA-N 1 2 348.874 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cccc3c2CCOC3)CC[C@H]1C ZINC001071678715 1354846126 /nfs/dbraw/zinc/84/61/26/1354846126.db2.gz GCIARJARDOPWRO-GDBMZVCRSA-N 1 2 348.874 3.095 20 30 EGEDLO Cc1coc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC#Cc3ccccc3)C2)c1 ZINC001071747988 1354899152 /nfs/dbraw/zinc/89/91/52/1354899152.db2.gz KXUKCTUTOKZXND-IEBWSBKVSA-N 1 2 336.435 3.222 20 30 EGEDLO Cc1coc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC#Cc3ccccc3)C2)c1 ZINC001071747988 1354899155 /nfs/dbraw/zinc/89/91/55/1354899155.db2.gz KXUKCTUTOKZXND-IEBWSBKVSA-N 1 2 336.435 3.222 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ncsc2C2CC2)CC[C@@H]1C ZINC001071821389 1354961510 /nfs/dbraw/zinc/96/15/10/1354961510.db2.gz NVZOYHKIWCXQBJ-WCQYABFASA-N 1 2 339.892 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ncsc2C2CC2)CC[C@@H]1C ZINC001071821389 1354961514 /nfs/dbraw/zinc/96/15/14/1354961514.db2.gz NVZOYHKIWCXQBJ-WCQYABFASA-N 1 2 339.892 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cccc(OC)c2C)CC[C@H]1C ZINC001071855460 1354983628 /nfs/dbraw/zinc/98/36/28/1354983628.db2.gz PZPPKNNICUHQPB-HIFRSBDPSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cccc(OC)c2C)CC[C@H]1C ZINC001071855460 1354983632 /nfs/dbraw/zinc/98/36/32/1354983632.db2.gz PZPPKNNICUHQPB-HIFRSBDPSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cccc(OC)c2F)CC[C@H]1C ZINC001071923592 1355026467 /nfs/dbraw/zinc/02/64/67/1355026467.db2.gz KVXXTBPJLKCGIV-OLZOCXBDSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cccc(OC)c2F)CC[C@H]1C ZINC001071923592 1355026468 /nfs/dbraw/zinc/02/64/68/1355026468.db2.gz KVXXTBPJLKCGIV-OLZOCXBDSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc(C)n(C(C)C)n2)CC[C@@H]1C ZINC001072127340 1355143494 /nfs/dbraw/zinc/14/34/94/1355143494.db2.gz RIFRJIKLTJXTSN-ZFWWWQNUSA-N 1 2 338.883 3.108 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc(C)n(C(C)C)n2)CC[C@@H]1C ZINC001072127340 1355143496 /nfs/dbraw/zinc/14/34/96/1355143496.db2.gz RIFRJIKLTJXTSN-ZFWWWQNUSA-N 1 2 338.883 3.108 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)[C@H](C)C(C)(C)C)C2)C1 ZINC001072856013 1355467303 /nfs/dbraw/zinc/46/73/03/1355467303.db2.gz RHBMRGMAYXMKNX-ZDUSSCGKSA-N 1 2 343.309 3.112 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)[C@H](C)C(C)(C)C)C2)C1 ZINC001072856013 1355467307 /nfs/dbraw/zinc/46/73/07/1355467307.db2.gz RHBMRGMAYXMKNX-ZDUSSCGKSA-N 1 2 343.309 3.112 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@H+](CC(=C)Br)C2 ZINC001072944791 1355512397 /nfs/dbraw/zinc/51/23/97/1355512397.db2.gz LEARTDZEYXHWTO-OAHLLOKOSA-N 1 2 341.293 3.032 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+](CC(=C)Br)C2 ZINC001072944791 1355512406 /nfs/dbraw/zinc/51/24/06/1355512406.db2.gz LEARTDZEYXHWTO-OAHLLOKOSA-N 1 2 341.293 3.032 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001094710283 1361897773 /nfs/dbraw/zinc/89/77/73/1361897773.db2.gz JWPDGDYZZFIFIU-CQSZACIVSA-N 1 2 330.476 3.184 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccccc3CCC)C[C@H]21 ZINC001074293993 1356157879 /nfs/dbraw/zinc/15/78/79/1356157879.db2.gz HCCOXMCWVDEOOV-UXHICEINSA-N 1 2 342.483 3.131 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccccc3CCC)C[C@H]21 ZINC001074293993 1356157880 /nfs/dbraw/zinc/15/78/80/1356157880.db2.gz HCCOXMCWVDEOOV-UXHICEINSA-N 1 2 342.483 3.131 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@H]3OCC[N@H+](CC4=CCCCC4)[C@@H]3C2)C1 ZINC001074333675 1356173239 /nfs/dbraw/zinc/17/32/39/1356173239.db2.gz GIRCDFAZTOTQNI-RTBURBONSA-N 1 2 344.499 3.145 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@H]3OCC[N@@H+](CC4=CCCCC4)[C@@H]3C2)C1 ZINC001074333675 1356173242 /nfs/dbraw/zinc/17/32/42/1356173242.db2.gz GIRCDFAZTOTQNI-RTBURBONSA-N 1 2 344.499 3.145 20 30 EGEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3sccc3C3CC3)C[C@H]21 ZINC001074398217 1356193780 /nfs/dbraw/zinc/19/37/80/1356193780.db2.gz UPZPWUGDZVOFNW-IAGOWNOFSA-N 1 2 346.496 3.117 20 30 EGEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3sccc3C3CC3)C[C@H]21 ZINC001074398217 1356193783 /nfs/dbraw/zinc/19/37/83/1356193783.db2.gz UPZPWUGDZVOFNW-IAGOWNOFSA-N 1 2 346.496 3.117 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc([C@@H](C)CC)no3)[C@@H]2C1 ZINC001076337595 1356551097 /nfs/dbraw/zinc/55/10/97/1356551097.db2.gz HVQHMFVYFRXTJH-CORIIIEPSA-N 1 2 337.851 3.087 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc([C@@H](C)CC)no3)[C@@H]2C1 ZINC001076337595 1356551102 /nfs/dbraw/zinc/55/11/02/1356551102.db2.gz HVQHMFVYFRXTJH-CORIIIEPSA-N 1 2 337.851 3.087 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ncc(C)o1 ZINC001099098677 1363620899 /nfs/dbraw/zinc/62/08/99/1363620899.db2.gz URVHQYZULILHAI-MRXNPFEDSA-N 1 2 333.476 3.446 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ncc(C)o1 ZINC001099098677 1363620903 /nfs/dbraw/zinc/62/09/03/1363620903.db2.gz URVHQYZULILHAI-MRXNPFEDSA-N 1 2 333.476 3.446 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2nc(C3CC3)no2)C1 ZINC001082682215 1358071562 /nfs/dbraw/zinc/07/15/62/1358071562.db2.gz DTHQCKQKTIDCSA-UMVBOHGHSA-N 1 2 346.475 3.047 20 30 EGEDLO O=C(c1ccccc1)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084161354 1358148093 /nfs/dbraw/zinc/14/80/93/1358148093.db2.gz VDNKLMICDPQBGU-TZIWHRDSSA-N 1 2 348.421 3.024 20 30 EGEDLO O=C(c1ccccc1)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084161354 1358148098 /nfs/dbraw/zinc/14/80/98/1358148098.db2.gz VDNKLMICDPQBGU-TZIWHRDSSA-N 1 2 348.421 3.024 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4nc(C)oc4c3)[C@@H]2C1 ZINC001084426638 1358210889 /nfs/dbraw/zinc/21/08/89/1358210889.db2.gz INOQAVCYJDAFIS-GDBMZVCRSA-N 1 2 345.830 3.035 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4nc(C)oc4c3)[C@@H]2C1 ZINC001084426638 1358210894 /nfs/dbraw/zinc/21/08/94/1358210894.db2.gz INOQAVCYJDAFIS-GDBMZVCRSA-N 1 2 345.830 3.035 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)C3CC3)[C@@H]2C1 ZINC001084518030 1358229786 /nfs/dbraw/zinc/22/97/86/1358229786.db2.gz IDFBBOUAKTZVMA-QRVBRYPASA-N 1 2 344.886 3.465 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)C3CC3)[C@@H]2C1 ZINC001084518030 1358229788 /nfs/dbraw/zinc/22/97/88/1358229788.db2.gz IDFBBOUAKTZVMA-QRVBRYPASA-N 1 2 344.886 3.465 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cncc4sccc43)[C@@H]2C1 ZINC001084603280 1358254769 /nfs/dbraw/zinc/25/47/69/1358254769.db2.gz SCMYOXXEEZBUML-IUODEOHRSA-N 1 2 347.871 3.195 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cncc4sccc43)[C@@H]2C1 ZINC001084603280 1358254773 /nfs/dbraw/zinc/25/47/73/1358254773.db2.gz SCMYOXXEEZBUML-IUODEOHRSA-N 1 2 347.871 3.195 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(F)cc4F)C[C@H]32)C1 ZINC001084645358 1358268415 /nfs/dbraw/zinc/26/84/15/1358268415.db2.gz PTZBWKCYDXRYLV-CRAIPNDOSA-N 1 2 346.421 3.354 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(F)cc4F)C[C@H]32)C1 ZINC001084645358 1358268418 /nfs/dbraw/zinc/26/84/18/1358268418.db2.gz PTZBWKCYDXRYLV-CRAIPNDOSA-N 1 2 346.421 3.354 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)c3ccc(C)s3)[C@@H]2C1 ZINC001084774466 1358307076 /nfs/dbraw/zinc/30/70/76/1358307076.db2.gz NRVUEWZHJAVKPX-RBSFLKMASA-N 1 2 338.904 3.445 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)c3ccc(C)s3)[C@@H]2C1 ZINC001084774466 1358307077 /nfs/dbraw/zinc/30/70/77/1358307077.db2.gz NRVUEWZHJAVKPX-RBSFLKMASA-N 1 2 338.904 3.445 20 30 EGEDLO CCC(C)(CC)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084841567 1358325463 /nfs/dbraw/zinc/32/54/63/1358325463.db2.gz AXVXBTYZGAWFBU-RTBURBONSA-N 1 2 339.483 3.417 20 30 EGEDLO CCC(C)(CC)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084841567 1358325468 /nfs/dbraw/zinc/32/54/68/1358325468.db2.gz AXVXBTYZGAWFBU-RTBURBONSA-N 1 2 339.483 3.417 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1)C(=O)C1CCC1 ZINC001085449993 1358503840 /nfs/dbraw/zinc/50/38/40/1358503840.db2.gz IPJWCVLZFXPUTD-GOSISDBHSA-N 1 2 330.859 3.024 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1)C(=O)C1CCC1 ZINC001085449993 1358503842 /nfs/dbraw/zinc/50/38/42/1358503842.db2.gz IPJWCVLZFXPUTD-GOSISDBHSA-N 1 2 330.859 3.024 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)c1ccccc1F ZINC001085456066 1358508420 /nfs/dbraw/zinc/50/84/20/1358508420.db2.gz ALYPDUJKNSXMHO-SFHVURJKSA-N 1 2 336.410 3.024 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)c1ccccc1F ZINC001085456066 1358508424 /nfs/dbraw/zinc/50/84/24/1358508424.db2.gz ALYPDUJKNSXMHO-SFHVURJKSA-N 1 2 336.410 3.024 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)c1ccc(F)cc1 ZINC001085456998 1358510702 /nfs/dbraw/zinc/51/07/02/1358510702.db2.gz YJAMLKDMYOCMJI-HXUWFJFHSA-N 1 2 336.410 3.024 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)c1ccc(F)cc1 ZINC001085456998 1358510703 /nfs/dbraw/zinc/51/07/03/1358510703.db2.gz YJAMLKDMYOCMJI-HXUWFJFHSA-N 1 2 336.410 3.024 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1)C(=O)c1ccsc1 ZINC001085475279 1358526516 /nfs/dbraw/zinc/52/65/16/1358526516.db2.gz XXBLLJYFLOMHBE-INIZCTEOSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1)C(=O)c1ccsc1 ZINC001085475279 1358526517 /nfs/dbraw/zinc/52/65/17/1358526517.db2.gz XXBLLJYFLOMHBE-INIZCTEOSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1)C(=O)c1ccsc1 ZINC001085475280 1358526673 /nfs/dbraw/zinc/52/66/73/1358526673.db2.gz XXBLLJYFLOMHBE-MRXNPFEDSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1)C(=O)c1ccsc1 ZINC001085475280 1358526677 /nfs/dbraw/zinc/52/66/77/1358526677.db2.gz XXBLLJYFLOMHBE-MRXNPFEDSA-N 1 2 343.427 3.105 20 30 EGEDLO Cc1cc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)oc1C ZINC001085542455 1358583009 /nfs/dbraw/zinc/58/30/09/1358583009.db2.gz YKJCALGSWAZMJK-SFHVURJKSA-N 1 2 337.423 3.115 20 30 EGEDLO Cc1cc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)oc1C ZINC001085542455 1358583010 /nfs/dbraw/zinc/58/30/10/1358583010.db2.gz YKJCALGSWAZMJK-SFHVURJKSA-N 1 2 337.423 3.115 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(=O)C1CC(C)(C)C1 ZINC001085578439 1358608386 /nfs/dbraw/zinc/60/83/86/1358608386.db2.gz NQLZZVJDSVNXJH-LJQANCHMSA-N 1 2 342.458 3.146 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(=O)C1CC(C)(C)C1 ZINC001085578439 1358608388 /nfs/dbraw/zinc/60/83/88/1358608388.db2.gz NQLZZVJDSVNXJH-LJQANCHMSA-N 1 2 342.458 3.146 20 30 EGEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2ccc(F)cc2s1 ZINC001085706411 1358698375 /nfs/dbraw/zinc/69/83/75/1358698375.db2.gz OJJVQMKYLJVOTN-OAHLLOKOSA-N 1 2 330.428 3.210 20 30 EGEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2ccc(F)cc2s1 ZINC001085706411 1358698379 /nfs/dbraw/zinc/69/83/79/1358698379.db2.gz OJJVQMKYLJVOTN-OAHLLOKOSA-N 1 2 330.428 3.210 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@@]12C[C@@H]1CCCC2 ZINC001085807287 1358784680 /nfs/dbraw/zinc/78/46/80/1358784680.db2.gz CRGMOPBATMGTBK-ZJOUEHCJSA-N 1 2 337.467 3.171 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@@]12C[C@@H]1CCCC2 ZINC001085807287 1358784684 /nfs/dbraw/zinc/78/46/84/1358784684.db2.gz CRGMOPBATMGTBK-ZJOUEHCJSA-N 1 2 337.467 3.171 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001085827970 1358795819 /nfs/dbraw/zinc/79/58/19/1358795819.db2.gz HWCLLKMOWNYSMV-NJDAHSKKSA-N 1 2 338.495 3.253 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001085827970 1358795834 /nfs/dbraw/zinc/79/58/34/1358795834.db2.gz HWCLLKMOWNYSMV-NJDAHSKKSA-N 1 2 338.495 3.253 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)NC1(CC2CC2)CC1 ZINC001183840930 1387357544 /nfs/dbraw/zinc/35/75/44/1387357544.db2.gz JZRKROPJKNVTTM-IBGZPJMESA-N 1 2 337.467 3.362 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)NC1(CC2CC2)CC1 ZINC001183840930 1387357548 /nfs/dbraw/zinc/35/75/48/1387357548.db2.gz JZRKROPJKNVTTM-IBGZPJMESA-N 1 2 337.467 3.362 20 30 EGEDLO CCc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2CC#Cc2ccccc2)cc1 ZINC001085955858 1358911972 /nfs/dbraw/zinc/91/19/72/1358911972.db2.gz MGKZDLVIYZSXPB-JOCHJYFZSA-N 1 2 346.474 3.447 20 30 EGEDLO CCc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2CC#Cc2ccccc2)cc1 ZINC001085955858 1358911975 /nfs/dbraw/zinc/91/19/75/1358911975.db2.gz MGKZDLVIYZSXPB-JOCHJYFZSA-N 1 2 346.474 3.447 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(C)noc2C(F)F)[C@H]1CC ZINC001087619000 1359556353 /nfs/dbraw/zinc/55/63/53/1359556353.db2.gz RJCRFZLFBUMDJQ-WDEREUQCSA-N 1 2 347.793 3.256 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(C)noc2C(F)F)[C@H]1CC ZINC001087619000 1359556357 /nfs/dbraw/zinc/55/63/57/1359556357.db2.gz RJCRFZLFBUMDJQ-WDEREUQCSA-N 1 2 347.793 3.256 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3csc(C)n3)[C@@H]2CC)C1 ZINC001087718304 1359609540 /nfs/dbraw/zinc/60/95/40/1359609540.db2.gz HKAKDCXFFZRRSN-JKSUJKDBSA-N 1 2 333.501 3.277 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3csc(C)n3)[C@@H]2CC)C1 ZINC001087718304 1359609544 /nfs/dbraw/zinc/60/95/44/1359609544.db2.gz HKAKDCXFFZRRSN-JKSUJKDBSA-N 1 2 333.501 3.277 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2csc(Cl)n2)[C@H]1CC ZINC001087786297 1359643864 /nfs/dbraw/zinc/64/38/64/1359643864.db2.gz VIKKKPRCMUYIIC-GXSJLCMTSA-N 1 2 334.272 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2csc(Cl)n2)[C@H]1CC ZINC001087786297 1359643866 /nfs/dbraw/zinc/64/38/66/1359643866.db2.gz VIKKKPRCMUYIIC-GXSJLCMTSA-N 1 2 334.272 3.132 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nsc3ccccc32)[C@H]1C ZINC001088587371 1359983659 /nfs/dbraw/zinc/98/36/59/1359983659.db2.gz JZAFUHJAUUXPKF-YPMHNXCESA-N 1 2 335.860 3.241 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nsc3ccccc32)[C@H]1C ZINC001088587371 1359983661 /nfs/dbraw/zinc/98/36/61/1359983661.db2.gz JZAFUHJAUUXPKF-YPMHNXCESA-N 1 2 335.860 3.241 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC23CCCC3)[C@H]1C ZINC001088957899 1360115146 /nfs/dbraw/zinc/11/51/46/1360115146.db2.gz CJMZROHEMBVINJ-MCIONIFRSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC23CCCC3)[C@H]1C ZINC001088957899 1360115150 /nfs/dbraw/zinc/11/51/50/1360115150.db2.gz CJMZROHEMBVINJ-MCIONIFRSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2Cc3ccc(Cl)cc32)[C@H]1C ZINC001089014003 1360136003 /nfs/dbraw/zinc/13/60/03/1360136003.db2.gz XIXSSWULBPJVCO-RLCCDNCMSA-N 1 2 339.266 3.311 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2Cc3ccc(Cl)cc32)[C@H]1C ZINC001089014003 1360136008 /nfs/dbraw/zinc/13/60/08/1360136008.db2.gz XIXSSWULBPJVCO-RLCCDNCMSA-N 1 2 339.266 3.311 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2[nH]c3ccccc3c2OC)[C@H]1C ZINC001089066683 1360156813 /nfs/dbraw/zinc/15/68/13/1360156813.db2.gz ULPFMRARPRIHBF-OCCSQVGLSA-N 1 2 347.846 3.122 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2[nH]c3ccccc3c2OC)[C@H]1C ZINC001089066683 1360156815 /nfs/dbraw/zinc/15/68/15/1360156815.db2.gz ULPFMRARPRIHBF-OCCSQVGLSA-N 1 2 347.846 3.122 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H](C)[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001089184552 1360234777 /nfs/dbraw/zinc/23/47/77/1360234777.db2.gz SJIHKXIDNCYJAW-YJBOKZPZSA-N 1 2 342.487 3.450 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccccc1O ZINC001089610562 1360532930 /nfs/dbraw/zinc/53/29/30/1360532930.db2.gz UEZGHOUIFXQHMX-AWEZNQCLSA-N 1 2 336.863 3.365 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccccc1O ZINC001089610562 1360532931 /nfs/dbraw/zinc/53/29/31/1360532931.db2.gz UEZGHOUIFXQHMX-AWEZNQCLSA-N 1 2 336.863 3.365 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccncc1F ZINC001089621312 1360539257 /nfs/dbraw/zinc/53/92/57/1360539257.db2.gz QQHMWVVUOUQAMV-ZDUSSCGKSA-N 1 2 339.842 3.194 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccncc1F ZINC001089621312 1360539260 /nfs/dbraw/zinc/53/92/60/1360539260.db2.gz QQHMWVVUOUQAMV-ZDUSSCGKSA-N 1 2 339.842 3.194 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc(F)c[nH]1 ZINC001089671398 1360581318 /nfs/dbraw/zinc/58/13/18/1360581318.db2.gz QRMSLOJZEDKMGS-ZDUSSCGKSA-N 1 2 327.831 3.127 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc(F)c[nH]1 ZINC001089671398 1360581321 /nfs/dbraw/zinc/58/13/21/1360581321.db2.gz QRMSLOJZEDKMGS-ZDUSSCGKSA-N 1 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ZINC001091258538 1361025115 /nfs/dbraw/zinc/02/51/15/1361025115.db2.gz ZXUFNXKASMKAHV-IAGOWNOFSA-N 1 2 340.471 3.161 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001091504604 1361128517 /nfs/dbraw/zinc/12/85/17/1361128517.db2.gz JUPOYNVGUULEBG-KOMQPUFPSA-N 1 2 328.460 3.325 20 30 EGEDLO C#CCCCC(=O)NC[C@H]1CC[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001091563363 1361146089 /nfs/dbraw/zinc/14/60/89/1361146089.db2.gz AMHLBGQDNIOQMI-DLBZAZTESA-N 1 2 342.487 3.409 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCCC[C@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001092075966 1361290585 /nfs/dbraw/zinc/29/05/85/1361290585.db2.gz XIYSDDZMQYIVCL-SFHVURJKSA-N 1 2 342.487 3.371 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001092904634 1361483518 /nfs/dbraw/zinc/48/35/18/1361483518.db2.gz ITWAVCPRLXFBLR-LSZYVWPRSA-N 1 2 342.487 3.230 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001093044602 1361515294 /nfs/dbraw/zinc/51/52/94/1361515294.db2.gz HPVHQPBEYXXPQC-WWNBULGVSA-N 1 2 342.487 3.230 20 30 EGEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1CN(c1nc(C)[nH+]c(C)c1C)C2 ZINC001093101935 1361527668 /nfs/dbraw/zinc/52/76/68/1361527668.db2.gz WTDUKLWAWRMBRB-PXNSSMCTSA-N 1 2 342.487 3.233 20 30 EGEDLO Cc1cc(NC2(CNC(=O)[C@@H](C)C#N)CCCCC2)nc(C(C)C)[nH+]1 ZINC001093389063 1361598963 /nfs/dbraw/zinc/59/89/63/1361598963.db2.gz WWWRKEQOHMDSJF-AWEZNQCLSA-N 1 2 343.475 3.299 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC1(Nc2cc[nH+]c(C)n2)CCCCC1 ZINC001093402898 1361607579 /nfs/dbraw/zinc/60/75/79/1361607579.db2.gz UKBQUUPYHCYDFT-CABCVRRESA-N 1 2 330.476 3.474 20 30 EGEDLO C=CCCC1(C(=O)NC2CC3(C2)CC(Nc2cc[nH+]c(C)n2)C3)CC1 ZINC001093444397 1361625248 /nfs/dbraw/zinc/62/52/48/1361625248.db2.gz HPDSEVJFEXYDHY-UHFFFAOYSA-N 1 2 340.471 3.371 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CC3(C)CCCCC3)CC2)C1 ZINC001093554506 1361640839 /nfs/dbraw/zinc/64/08/39/1361640839.db2.gz XVQGOSAWQVXMEL-UHFFFAOYSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3C[C@]3(CC)C(C)C)CC2)C1 ZINC001093587292 1361649310 /nfs/dbraw/zinc/64/93/10/1361649310.db2.gz QOHQCPHMMVBPBE-PZJWPPBQSA-N 1 2 348.531 3.327 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@H]3CCCC[C@@H]3C)CC2)C1 ZINC001093600020 1361654464 /nfs/dbraw/zinc/65/44/64/1361654464.db2.gz LMGKRDLCQJSYGT-DLBZAZTESA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001095151568 1362033509 /nfs/dbraw/zinc/03/35/09/1362033509.db2.gz WGRSTTYTFYXZCG-CXAGYDPISA-N 1 2 330.476 3.041 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095157566 1362036242 /nfs/dbraw/zinc/03/62/42/1362036242.db2.gz VWCZJLWNSBFWIW-INIZCTEOSA-N 1 2 342.487 3.302 20 30 EGEDLO C=C(C)CCC(=O)NC1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095431449 1362138925 /nfs/dbraw/zinc/13/89/25/1362138925.db2.gz KUOHRIRRYBIOAM-UHFFFAOYSA-N 1 2 328.460 3.104 20 30 EGEDLO C=C[C@@H](CC(=O)NCCCN(C)c1cc[nH+]c(C)n1)c1ccccc1 ZINC001095571885 1362172639 /nfs/dbraw/zinc/17/26/39/1362172639.db2.gz YCPGYBFTRZZNDC-KRWDZBQOSA-N 1 2 338.455 3.087 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCCCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001095712005 1362209026 /nfs/dbraw/zinc/20/90/26/1362209026.db2.gz BPBGMMHRSMTTOQ-GJZGRUSLSA-N 1 2 344.503 3.065 20 30 EGEDLO C=CCCC(=O)NCCCN(c1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001096021814 1362338003 /nfs/dbraw/zinc/33/80/03/1362338003.db2.gz JMTJLAJQWRPVKQ-UHFFFAOYSA-N 1 2 330.476 3.350 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)C2 ZINC001096120218 1362392766 /nfs/dbraw/zinc/39/27/66/1362392766.db2.gz BPHIBJCARRHOJU-ZBRFXRBCSA-N 1 2 330.859 3.264 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)C2 ZINC001096120218 1362392767 /nfs/dbraw/zinc/39/27/67/1362392767.db2.gz BPHIBJCARRHOJU-ZBRFXRBCSA-N 1 2 330.859 3.264 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC001096208815 1362432571 /nfs/dbraw/zinc/43/25/71/1362432571.db2.gz PVDDVVUZZGHVKO-MRXNPFEDSA-N 1 2 342.487 3.105 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3ccncc3c1)C2 ZINC001096291634 1362455824 /nfs/dbraw/zinc/45/58/24/1362455824.db2.gz MPPXUBSQNBLYFW-SQNIBIBYSA-N 1 2 341.842 3.322 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3ccncc3c1)C2 ZINC001096291634 1362455828 /nfs/dbraw/zinc/45/58/28/1362455828.db2.gz MPPXUBSQNBLYFW-SQNIBIBYSA-N 1 2 341.842 3.322 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](Nc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001096654746 1362618467 /nfs/dbraw/zinc/61/84/67/1362618467.db2.gz VDXHUWWPLYJOIR-QGZVFWFLSA-N 1 2 340.471 3.163 20 30 EGEDLO C=C[C@@H](CC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001096942407 1362785740 /nfs/dbraw/zinc/78/57/40/1362785740.db2.gz ZKSLSAXIEYRYJS-WMZOPIPTSA-N 1 2 336.439 3.158 20 30 EGEDLO C=CC1(CC(=O)N2CC[C@H](Nc3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001096945281 1362787360 /nfs/dbraw/zinc/78/73/60/1362787360.db2.gz MESWGWKLFJHCMV-INIZCTEOSA-N 1 2 328.460 3.324 20 30 EGEDLO C=C[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001097186800 1362878999 /nfs/dbraw/zinc/87/89/99/1362878999.db2.gz RWIGFHWJCZPQMS-RYQLBKOJSA-N 1 2 336.439 3.204 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097244781 1362899972 /nfs/dbraw/zinc/89/99/72/1362899972.db2.gz PYOVRCFQFXANET-WQVCFCJDSA-N 1 2 328.460 3.324 20 30 EGEDLO CCc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)o1 ZINC001097351169 1362947596 /nfs/dbraw/zinc/94/75/96/1362947596.db2.gz OAOPMXKPUKCJOS-QRQLOZEOSA-N 1 2 349.434 3.249 20 30 EGEDLO CCc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)o1 ZINC001097351169 1362947600 /nfs/dbraw/zinc/94/76/00/1362947600.db2.gz OAOPMXKPUKCJOS-QRQLOZEOSA-N 1 2 349.434 3.249 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCCCN1c1nc(C)[nH+]c(C)c1C ZINC001097449815 1362996163 /nfs/dbraw/zinc/99/61/63/1362996163.db2.gz KGHIOAJXTBHNGO-INIZCTEOSA-N 1 2 330.476 3.089 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CCCCN1c1nc(C)[nH+]c(C)c1C ZINC001097465697 1363006853 /nfs/dbraw/zinc/00/68/53/1363006853.db2.gz AURXNRNIYWXREM-KRWDZBQOSA-N 1 2 344.503 3.479 20 30 EGEDLO C=CCCC1(C(=O)N2C[C@@H]3CC[C@@H](Nc4cc[nH+]c(C)n4)[C@H]3C2)CC1 ZINC001097608544 1363073154 /nfs/dbraw/zinc/07/31/54/1363073154.db2.gz IBBOGXUEVLSEOQ-YESZJQIVSA-N 1 2 340.471 3.180 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccnc(Cl)c2)C1 ZINC001097806068 1363126004 /nfs/dbraw/zinc/12/60/04/1363126004.db2.gz VVJWVFLYZOVMMP-OAGGEKHMSA-N 1 2 345.874 3.313 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccnc(Cl)c2)C1 ZINC001097806068 1363126006 /nfs/dbraw/zinc/12/60/06/1363126006.db2.gz VVJWVFLYZOVMMP-OAGGEKHMSA-N 1 2 345.874 3.313 20 30 EGEDLO C=C(C)[C@H](CC(=O)NC[C@@H](C)Nc1cc(C)[nH+]c(C(C)C)n1)OCC ZINC001098088114 1363218611 /nfs/dbraw/zinc/21/86/11/1363218611.db2.gz RZIFKOWPAADGQW-CVEARBPZSA-N 1 2 348.491 3.196 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001098348761 1363305429 /nfs/dbraw/zinc/30/54/29/1363305429.db2.gz RXVJNEILNAMWFP-OAHLLOKOSA-N 1 2 341.459 3.126 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CCC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001098617716 1363400693 /nfs/dbraw/zinc/40/06/93/1363400693.db2.gz PSHXSBQYVSIDOK-IRXDYDNUSA-N 1 2 340.471 3.305 20 30 EGEDLO Cc1cc(N[C@H]2CCC[C@H](NC(=O)C#CC(C)C)C2)nc(C(C)C)[nH+]1 ZINC001098621634 1363403226 /nfs/dbraw/zinc/40/32/26/1363403226.db2.gz UIQCZTGSWLOEGH-IRXDYDNUSA-N 1 2 342.487 3.407 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@H](N(C)c3cc[nH+]c(C)n3)C2)CCCC1 ZINC001098695117 1363437460 /nfs/dbraw/zinc/43/74/60/1363437460.db2.gz BPLVJFNVTMYLSO-KRWDZBQOSA-N 1 2 342.487 3.349 20 30 EGEDLO C=CCOCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC=C(Cl)Cl ZINC001098966722 1363545453 /nfs/dbraw/zinc/54/54/53/1363545453.db2.gz UNVCQGFBHALBLG-CYBMUJFWSA-N 1 2 349.302 3.115 20 30 EGEDLO C=CCOCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC=C(Cl)Cl ZINC001098966722 1363545456 /nfs/dbraw/zinc/54/54/56/1363545456.db2.gz UNVCQGFBHALBLG-CYBMUJFWSA-N 1 2 349.302 3.115 20 30 EGEDLO C#CCCCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1cscn1 ZINC001099029131 1363583887 /nfs/dbraw/zinc/58/38/87/1363583887.db2.gz TULFUZRPIVPJQB-QGZVFWFLSA-N 1 2 347.528 3.444 20 30 EGEDLO C#CCCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1cscn1 ZINC001099029131 1363583890 /nfs/dbraw/zinc/58/38/90/1363583890.db2.gz TULFUZRPIVPJQB-QGZVFWFLSA-N 1 2 347.528 3.444 20 30 EGEDLO Cc1nc(C[N@H+]2CC(C)(C)CC[C@@H]2CNC(=O)C#CC(C)C)cs1 ZINC001099065399 1363604182 /nfs/dbraw/zinc/60/41/82/1363604182.db2.gz RTUCYWUYGIHKNT-QGZVFWFLSA-N 1 2 347.528 3.218 20 30 EGEDLO Cc1nc(C[N@@H+]2CC(C)(C)CC[C@@H]2CNC(=O)C#CC(C)C)cs1 ZINC001099065399 1363604184 /nfs/dbraw/zinc/60/41/84/1363604184.db2.gz RTUCYWUYGIHKNT-QGZVFWFLSA-N 1 2 347.528 3.218 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](OCC)C(C)C ZINC001099074676 1363609658 /nfs/dbraw/zinc/60/96/58/1363609658.db2.gz PTIMOXHCMYFSGZ-JKSUJKDBSA-N 1 2 344.927 3.407 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](OCC)C(C)C ZINC001099074676 1363609661 /nfs/dbraw/zinc/60/96/61/1363609661.db2.gz PTIMOXHCMYFSGZ-JKSUJKDBSA-N 1 2 344.927 3.407 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1cc(C)on1 ZINC001099097633 1363619898 /nfs/dbraw/zinc/61/98/98/1363619898.db2.gz AXMJSNSVVJWKDV-QGZVFWFLSA-N 1 2 333.476 3.446 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1cc(C)on1 ZINC001099097633 1363619899 /nfs/dbraw/zinc/61/98/99/1363619899.db2.gz AXMJSNSVVJWKDV-QGZVFWFLSA-N 1 2 333.476 3.446 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1coc(C)n1 ZINC001099169970 1363667534 /nfs/dbraw/zinc/66/75/34/1363667534.db2.gz BMUAHDSEKMGHMM-MRXNPFEDSA-N 1 2 333.476 3.302 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1coc(C)n1 ZINC001099169970 1363667537 /nfs/dbraw/zinc/66/75/37/1363667537.db2.gz BMUAHDSEKMGHMM-MRXNPFEDSA-N 1 2 333.476 3.302 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccon1 ZINC001099189037 1363681647 /nfs/dbraw/zinc/68/16/47/1363681647.db2.gz NVEVEFZUPLFGTH-NVXWUHKLSA-N 1 2 333.476 3.384 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccon1 ZINC001099189037 1363681649 /nfs/dbraw/zinc/68/16/49/1363681649.db2.gz NVEVEFZUPLFGTH-NVXWUHKLSA-N 1 2 333.476 3.384 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nonc1C ZINC001099252515 1363715177 /nfs/dbraw/zinc/71/51/77/1363715177.db2.gz WWLAZBMASUFACP-OAHLLOKOSA-N 1 2 348.491 3.087 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nonc1C ZINC001099252515 1363715179 /nfs/dbraw/zinc/71/51/79/1363715179.db2.gz WWLAZBMASUFACP-OAHLLOKOSA-N 1 2 348.491 3.087 20 30 EGEDLO C=CCC1(C(=O)NCCN(C)c2cc(C)[nH+]c(C(C)C)n2)CCC1 ZINC001100303103 1364072825 /nfs/dbraw/zinc/07/28/25/1364072825.db2.gz KLQNLXCMCFAXNZ-UHFFFAOYSA-N 1 2 330.476 3.207 20 30 EGEDLO C#CCCCCCC(=O)NC[C@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001100894131 1364317265 /nfs/dbraw/zinc/31/72/65/1364317265.db2.gz PZOUYVTWIJUHJR-GOSISDBHSA-N 1 2 342.487 3.071 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001100896157 1364319344 /nfs/dbraw/zinc/31/93/44/1364319344.db2.gz WFQISNHIPHOAJU-DYVFJYSZSA-N 1 2 330.476 3.089 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001100970077 1364352459 /nfs/dbraw/zinc/35/24/59/1364352459.db2.gz JPLDXIKOWLJUDW-KRWDZBQOSA-N 1 2 342.487 3.045 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001101017407 1364375666 /nfs/dbraw/zinc/37/56/66/1364375666.db2.gz FIQGCNLNBPREHD-INIZCTEOSA-N 1 2 344.503 3.453 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001101042292 1364387303 /nfs/dbraw/zinc/38/73/03/1364387303.db2.gz YGAHLXYVLNOHOA-DOTOQJQBSA-N 1 2 344.503 3.453 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001101056627 1364395150 /nfs/dbraw/zinc/39/51/50/1364395150.db2.gz VMINMGSHOIEGPE-MGPUTAFESA-N 1 2 342.487 3.207 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCN(c1nc(C)[nH+]c(C)c1C)C1CC1 ZINC001101425834 1364557544 /nfs/dbraw/zinc/55/75/44/1364557544.db2.gz FWLOFAPALZFJJP-CYBMUJFWSA-N 1 2 330.476 3.089 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCN(c1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001101427268 1364558702 /nfs/dbraw/zinc/55/87/02/1364558702.db2.gz RYENSVLEONYRAD-DZGCQCFKSA-N 1 2 342.487 3.206 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC001102168869 1364908707 /nfs/dbraw/zinc/90/87/07/1364908707.db2.gz DNPDCVDASYMSSY-GOSISDBHSA-N 1 2 336.439 3.248 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]c(C2CC2)n1 ZINC001102569931 1365119385 /nfs/dbraw/zinc/11/93/85/1365119385.db2.gz JMDFAAJNPCQMLB-COXVUDFISA-N 1 2 340.471 3.054 20 30 EGEDLO C=CC(C)(C)CC(=O)N(C)[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102734773 1365194419 /nfs/dbraw/zinc/19/44/19/1365194419.db2.gz IKTRJZOVCSLNDC-MRXNPFEDSA-N 1 2 330.476 3.041 20 30 EGEDLO C#CCCCCCC(=O)N(C)[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102754822 1365203427 /nfs/dbraw/zinc/20/34/27/1365203427.db2.gz WFAUHHLTFNXQHK-SFHVURJKSA-N 1 2 342.487 3.023 20 30 EGEDLO C=CCC(C)(C)C(=O)N(C)[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102767152 1365209585 /nfs/dbraw/zinc/20/95/85/1365209585.db2.gz SPAIGQRIUZQFIL-INIZCTEOSA-N 1 2 330.476 3.041 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N(CC)[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102825237 1365238837 /nfs/dbraw/zinc/23/88/37/1365238837.db2.gz LBAUMHVSBWLWQT-ZWKOTPCHSA-N 1 2 344.503 3.431 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102885666 1365274267 /nfs/dbraw/zinc/27/42/67/1365274267.db2.gz WIDGVAINWRVEJG-MRXNPFEDSA-N 1 2 330.476 3.089 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCC[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001102943582 1365307970 /nfs/dbraw/zinc/30/79/70/1365307970.db2.gz ZCBVQPINRJLZMJ-RDJZCZTQSA-N 1 2 330.476 3.110 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](CC)Nc2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001103204734 1365434378 /nfs/dbraw/zinc/43/43/78/1365434378.db2.gz IAJLDBGJLMBVGA-MRXNPFEDSA-N 1 2 340.471 3.163 20 30 EGEDLO CC#CCCCC(=O)N[C@]1(CNc2cc[nH+]c(C)n2)CCCC[C@@H]1C ZINC001103603363 1365668733 /nfs/dbraw/zinc/66/87/33/1365668733.db2.gz DEWYKFFDXZAWTE-JXFKEZNVSA-N 1 2 342.487 3.456 20 30 EGEDLO C#CCCCCC(=O)NCC[C@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001103729188 1365752866 /nfs/dbraw/zinc/75/28/66/1365752866.db2.gz PWMCXNCOEXDZRQ-GOSISDBHSA-N 1 2 342.487 3.071 20 30 EGEDLO C=CC1(CC(=O)NC[C@@H](C)CNc2cc[nH+]c(C)n2)CCCCC1 ZINC001104018003 1365876990 /nfs/dbraw/zinc/87/69/90/1365876990.db2.gz ZNOAWMRYUXCSHU-HNNXBMFYSA-N 1 2 330.476 3.476 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](C)CNc2cc(C)[nH+]c(C(C)C)n2)CCC1 ZINC001104101193 1365911374 /nfs/dbraw/zinc/91/13/74/1365911374.db2.gz LRIROUVJMKVSFO-HNNXBMFYSA-N 1 2 342.487 3.266 20 30 EGEDLO Cc1cc(NC[C@H](C)N(C)C(=O)C#CC(C)(C)C)nc(C(C)C)[nH+]1 ZINC001104556741 1366074053 /nfs/dbraw/zinc/07/40/53/1366074053.db2.gz QSLUORXBTCJPFK-HNNXBMFYSA-N 1 2 330.476 3.217 20 30 EGEDLO Cc1cc(NC[C@@H](CC(C)C)NC(=O)[C@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001104935955 1366230609 /nfs/dbraw/zinc/23/06/09/1366230609.db2.gz ZBTQQTNHXVZNEV-UKRRQHHQSA-N 1 2 331.464 3.011 20 30 EGEDLO Cc1cc(NC[C@@H](CC(C)C)NC(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001104947273 1366236861 /nfs/dbraw/zinc/23/68/61/1366236861.db2.gz WJFUJYVOKUYPMR-QGZVFWFLSA-N 1 2 342.487 3.265 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@@H](CNc2cc[nH+]c(C)n2)CC(C)C)cc1 ZINC001104976050 1366251972 /nfs/dbraw/zinc/25/19/72/1366251972.db2.gz SEPUIBILGKCSAA-GOSISDBHSA-N 1 2 336.439 3.023 20 30 EGEDLO C=CCCC(=O)N1CC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001105037993 1366287402 /nfs/dbraw/zinc/28/74/02/1366287402.db2.gz GFKUGNDCWWKGAU-PBHICJAKSA-N 1 2 342.487 3.279 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@@H](C)C1 ZINC001105055756 1366296987 /nfs/dbraw/zinc/29/69/87/1366296987.db2.gz QVZCLJUGRYGCJY-RDJZCZTQSA-N 1 2 328.460 3.018 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H]([C@@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001105081320 1366313909 /nfs/dbraw/zinc/31/39/09/1366313909.db2.gz JICNFAHVNYUCGJ-GDBMZVCRSA-N 1 2 330.476 3.426 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC(CCN(C)c2cc[nH+]c(C)n2)CC1 ZINC001105100674 1366327949 /nfs/dbraw/zinc/32/79/49/1366327949.db2.gz FUHCQVZXLXJIIT-UHFFFAOYSA-N 1 2 344.503 3.452 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H](CC)CCCC)CC2)C1 ZINC001105690092 1366575078 /nfs/dbraw/zinc/57/50/78/1366575078.db2.gz DOPRBXZGZFCPNZ-QGZVFWFLSA-N 1 2 336.520 3.471 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N[C@@H](C)CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001106246435 1366632850 /nfs/dbraw/zinc/63/28/50/1366632850.db2.gz PEUCHQFYGWTHJG-HOCLYGCPSA-N 1 2 348.491 3.196 20 30 EGEDLO C#CCCCCC(=O)N[C@H](C)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001106278457 1366641620 /nfs/dbraw/zinc/64/16/20/1366641620.db2.gz VXJNXPOSYQNAAN-OAHLLOKOSA-N 1 2 342.487 3.164 20 30 EGEDLO Cc1cc(NCC[C@H](C)NC(=O)C#CC(C)(C)C)nc(C2CC2)[nH+]1 ZINC001106303402 1366648065 /nfs/dbraw/zinc/64/80/65/1366648065.db2.gz RKTQVYSSTZUGJD-ZDUSSCGKSA-N 1 2 328.460 3.019 20 30 EGEDLO C#CCC1(C(=O)N[C@@H](C)CCNc2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001106476056 1366707043 /nfs/dbraw/zinc/70/70/43/1366707043.db2.gz TVSBLHXMRASSQH-AWEZNQCLSA-N 1 2 340.471 3.163 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC001109345905 1367073161 /nfs/dbraw/zinc/07/31/61/1367073161.db2.gz CJGGQGKYLMRULE-JKSUJKDBSA-N 1 2 330.476 3.474 20 30 EGEDLO CC[C@H](C)CC(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001189882436 1367122009 /nfs/dbraw/zinc/12/20/09/1367122009.db2.gz IFFMDOQAIXTOFJ-KSSFIOAISA-N 1 2 331.435 3.166 20 30 EGEDLO CC[C@H](C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001189882436 1367122015 /nfs/dbraw/zinc/12/20/15/1367122015.db2.gz IFFMDOQAIXTOFJ-KSSFIOAISA-N 1 2 331.435 3.166 20 30 EGEDLO C#CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2nc(C(C)(C)C)cs2)C1 ZINC001189925812 1367132740 /nfs/dbraw/zinc/13/27/40/1367132740.db2.gz FTXUUFMHCCOIEF-OAHLLOKOSA-N 1 2 347.528 3.277 20 30 EGEDLO C#CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(C(C)(C)C)cs2)C1 ZINC001189925812 1367132743 /nfs/dbraw/zinc/13/27/43/1367132743.db2.gz FTXUUFMHCCOIEF-OAHLLOKOSA-N 1 2 347.528 3.277 20 30 EGEDLO Cc1cc(NC[C@@H](C)NC(=O)CC#Cc2ccccc2)nc(C2CC2)[nH+]1 ZINC001107776650 1367141273 /nfs/dbraw/zinc/14/12/73/1367141273.db2.gz QVAWXJFREBDYAF-MRXNPFEDSA-N 1 2 348.450 3.021 20 30 EGEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)nc1 ZINC001109656346 1367266615 /nfs/dbraw/zinc/26/66/15/1367266615.db2.gz PDJLFNULELOARD-PMPSAXMXSA-N 1 2 333.863 3.313 20 30 EGEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)nc1 ZINC001109656346 1367266621 /nfs/dbraw/zinc/26/66/21/1367266621.db2.gz PDJLFNULELOARD-PMPSAXMXSA-N 1 2 333.863 3.313 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@]1(C)C[N@H+](C/C=C\c2ccccc2)CCO1 ZINC001108118903 1367290051 /nfs/dbraw/zinc/29/00/51/1367290051.db2.gz DZOHATLUFRQRJJ-ZDKIGPTLSA-N 1 2 342.483 3.119 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@]1(C)C[N@@H+](C/C=C\c2ccccc2)CCO1 ZINC001108118903 1367290059 /nfs/dbraw/zinc/29/00/59/1367290059.db2.gz DZOHATLUFRQRJJ-ZDKIGPTLSA-N 1 2 342.483 3.119 20 30 EGEDLO C=CCCCC(=O)NC[C@@]1(C)C[N@H+](Cc2cc(F)ccc2C)CCO1 ZINC001108169355 1367320066 /nfs/dbraw/zinc/32/00/66/1367320066.db2.gz OZBGLGFHDYFXJA-FQEVSTJZSA-N 1 2 348.462 3.198 20 30 EGEDLO C=CCCCC(=O)NC[C@@]1(C)C[N@@H+](Cc2cc(F)ccc2C)CCO1 ZINC001108169355 1367320071 /nfs/dbraw/zinc/32/00/71/1367320071.db2.gz OZBGLGFHDYFXJA-FQEVSTJZSA-N 1 2 348.462 3.198 20 30 EGEDLO C=CCCCC(=O)NC[C@]1(C)C[N@H+](C/C=C\c2ccccc2)CCO1 ZINC001108168481 1367320349 /nfs/dbraw/zinc/32/03/49/1367320349.db2.gz BENRMGCBILRJAU-ZDKIGPTLSA-N 1 2 342.483 3.263 20 30 EGEDLO C=CCCCC(=O)NC[C@]1(C)C[N@@H+](C/C=C\c2ccccc2)CCO1 ZINC001108168481 1367320352 /nfs/dbraw/zinc/32/03/52/1367320352.db2.gz BENRMGCBILRJAU-ZDKIGPTLSA-N 1 2 342.483 3.263 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@]1(C)C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC001108186065 1367329065 /nfs/dbraw/zinc/32/90/65/1367329065.db2.gz IZLGPBXINVCIBO-WOJBJXKFSA-N 1 2 348.462 3.135 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC001108186065 1367329070 /nfs/dbraw/zinc/32/90/70/1367329070.db2.gz IZLGPBXINVCIBO-WOJBJXKFSA-N 1 2 348.462 3.135 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cccc(Cl)c2Cl)C1 ZINC001108363729 1367413508 /nfs/dbraw/zinc/41/35/08/1367413508.db2.gz BCTMAJTYFDVOGV-INIZCTEOSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cccc(Cl)c2Cl)C1 ZINC001108363729 1367413511 /nfs/dbraw/zinc/41/35/11/1367413511.db2.gz BCTMAJTYFDVOGV-INIZCTEOSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2CCC(C(C)(C)C)CC2)C1 ZINC001108376907 1367423410 /nfs/dbraw/zinc/42/34/10/1367423410.db2.gz VAVOAWNYOFVFQB-UHYCVJNDSA-N 1 2 336.520 3.232 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2CCC(C(C)(C)C)CC2)C1 ZINC001108376907 1367423411 /nfs/dbraw/zinc/42/34/11/1367423411.db2.gz VAVOAWNYOFVFQB-UHYCVJNDSA-N 1 2 336.520 3.232 20 30 EGEDLO C#Cc1ccccc1C(=O)Nc1ccc(OC)nc1-n1cc[nH+]c1CC ZINC001191108225 1367425043 /nfs/dbraw/zinc/42/50/43/1367425043.db2.gz MEEIKNIIZVDJPP-UHFFFAOYSA-N 1 2 346.390 3.072 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1cc(C)ccc1C)C2 ZINC001110095543 1367501316 /nfs/dbraw/zinc/50/13/16/1367501316.db2.gz MIEWCNDQIOVAPL-IKGGRYGDSA-N 1 2 348.874 3.156 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1cc(C)ccc1C)C2 ZINC001110095543 1367501318 /nfs/dbraw/zinc/50/13/18/1367501318.db2.gz MIEWCNDQIOVAPL-IKGGRYGDSA-N 1 2 348.874 3.156 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccc(C)c(C)c1)C2 ZINC001110096566 1367502697 /nfs/dbraw/zinc/50/26/97/1367502697.db2.gz SHCCTRLOTJBVMI-NJAFHUGGSA-N 1 2 348.874 3.156 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccc(C)c(C)c1)C2 ZINC001110096566 1367502699 /nfs/dbraw/zinc/50/26/99/1367502699.db2.gz SHCCTRLOTJBVMI-NJAFHUGGSA-N 1 2 348.874 3.156 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)N1CC[C@@H]([N@@H+](C)CC=C(Cl)Cl)C1 ZINC001191575791 1367531164 /nfs/dbraw/zinc/53/11/64/1367531164.db2.gz DKRDFZAHVHXBIW-CZUORRHYSA-N 1 2 349.302 3.067 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)N1CC[C@@H]([N@H+](C)CC=C(Cl)Cl)C1 ZINC001191575791 1367531161 /nfs/dbraw/zinc/53/11/61/1367531161.db2.gz DKRDFZAHVHXBIW-CZUORRHYSA-N 1 2 349.302 3.067 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)CCCC2CC2)C1 ZINC001191858889 1367615326 /nfs/dbraw/zinc/61/53/26/1367615326.db2.gz DMOAUAPZLFRBEU-AWEZNQCLSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)CCCC2CC2)C1 ZINC001191858889 1367615332 /nfs/dbraw/zinc/61/53/32/1367615332.db2.gz DMOAUAPZLFRBEU-AWEZNQCLSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCC1(Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001110303209 1367624376 /nfs/dbraw/zinc/62/43/76/1367624376.db2.gz GDAHXMWWMQEMTH-JSGCOSHPSA-N 1 2 328.460 3.181 20 30 EGEDLO CC/C=C(\C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110345538 1367657314 /nfs/dbraw/zinc/65/73/14/1367657314.db2.gz VBHRORFMWDWKTM-XFKGBKCJSA-N 1 2 341.430 3.275 20 30 EGEDLO CC/C=C(\C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110345538 1367657321 /nfs/dbraw/zinc/65/73/21/1367657321.db2.gz VBHRORFMWDWKTM-XFKGBKCJSA-N 1 2 341.430 3.275 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ncc(C)s3)C2)CC1 ZINC001192207130 1367718539 /nfs/dbraw/zinc/71/85/39/1367718539.db2.gz VEAGJZWCYFUOKE-OAHLLOKOSA-N 1 2 333.501 3.231 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3ncc(C)s3)C2)CC1 ZINC001192207130 1367718535 /nfs/dbraw/zinc/71/85/35/1367718535.db2.gz VEAGJZWCYFUOKE-OAHLLOKOSA-N 1 2 333.501 3.231 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@]2(C1)CCCN(c1cc[nH+]c(C)n1)C2 ZINC001110458375 1367745196 /nfs/dbraw/zinc/74/51/96/1367745196.db2.gz CGDFFISEWPZZKV-OXJNMPFZSA-N 1 2 342.487 3.206 20 30 EGEDLO Cc1nc(N[C@H]2CCN(C(=O)CC#Cc3ccccc3)[C@H](C)C2)cc[nH+]1 ZINC001110514585 1367796004 /nfs/dbraw/zinc/79/60/04/1367796004.db2.gz GZQKSZCAMNYZIO-APWZRJJASA-N 1 2 348.450 3.018 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]c(C(C)C)n1 ZINC001110692028 1367930837 /nfs/dbraw/zinc/93/08/37/1367930837.db2.gz GSBGAWDAUOKVKK-SJORKVTESA-N 1 2 342.487 3.444 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](CC)CCC)C1 ZINC001193108852 1367946514 /nfs/dbraw/zinc/94/65/14/1367946514.db2.gz BXBXEAYUNWYZEQ-KGLIPLIRSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC)CCC)C1 ZINC001193108852 1367946517 /nfs/dbraw/zinc/94/65/17/1367946517.db2.gz BXBXEAYUNWYZEQ-KGLIPLIRSA-N 1 2 331.298 3.254 20 30 EGEDLO C#CCCCCC(=O)N[C@]1(C)CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001110741854 1367956815 /nfs/dbraw/zinc/95/68/15/1367956815.db2.gz PFTIKMWTBLBDOL-HXUWFJFHSA-N 1 2 342.487 3.187 20 30 EGEDLO C=CC1(CC(=O)N[C@@]2(C)CCN(c3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001110772274 1367971523 /nfs/dbraw/zinc/97/15/23/1367971523.db2.gz SQRUYYQYPBNOID-IBGZPJMESA-N 1 2 342.487 3.397 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@]1(C)CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001110789812 1367989152 /nfs/dbraw/zinc/98/91/52/1367989152.db2.gz KGEMFNYJCOKFIF-IBGZPJMESA-N 1 2 330.476 3.089 20 30 EGEDLO CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110967827 1368128607 /nfs/dbraw/zinc/12/86/07/1368128607.db2.gz GKYFDLAJDXPJFK-NXHRZFHOSA-N 1 2 343.446 3.355 20 30 EGEDLO CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110967827 1368128609 /nfs/dbraw/zinc/12/86/09/1368128609.db2.gz GKYFDLAJDXPJFK-NXHRZFHOSA-N 1 2 343.446 3.355 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc(C)cs2)CC1 ZINC001110982079 1368132836 /nfs/dbraw/zinc/13/28/36/1368132836.db2.gz HAQDVXMAYRTDAO-OAGGEKHMSA-N 1 2 345.512 3.419 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc(C)cs2)CC1 ZINC001110982079 1368132838 /nfs/dbraw/zinc/13/28/38/1368132838.db2.gz HAQDVXMAYRTDAO-OAGGEKHMSA-N 1 2 345.512 3.419 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001110989728 1368136839 /nfs/dbraw/zinc/13/68/39/1368136839.db2.gz UEQZNJLLFNMBFE-VXIBKDFQSA-N 1 2 331.435 3.045 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1 ZINC001110989728 1368136847 /nfs/dbraw/zinc/13/68/47/1368136847.db2.gz UEQZNJLLFNMBFE-VXIBKDFQSA-N 1 2 331.435 3.045 20 30 EGEDLO C=CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1nc(C)[nH+]c(C)c1C)C2 ZINC001111165189 1368174992 /nfs/dbraw/zinc/17/49/92/1368174992.db2.gz XOYIFPKGXBCMCL-BZSNNMDCSA-N 1 2 342.487 3.232 20 30 EGEDLO C=CCCC1(C(=O)N2C[C@H](C)[C@@H](CNc3cc[nH+]c(C)n3)C2)CC1 ZINC001111256494 1368223107 /nfs/dbraw/zinc/22/31/07/1368223107.db2.gz DWPGRGIOULVZSH-HOCLYGCPSA-N 1 2 328.460 3.038 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(C)(C)C(F)(F)F)C2 ZINC001111337073 1368267291 /nfs/dbraw/zinc/26/72/91/1368267291.db2.gz KQZSHSMLTRDXSI-UTUOFQBUSA-N 1 2 338.801 3.439 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(C)(C)C(F)(F)F)C2 ZINC001111337073 1368267299 /nfs/dbraw/zinc/26/72/99/1368267299.db2.gz KQZSHSMLTRDXSI-UTUOFQBUSA-N 1 2 338.801 3.439 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccn(CC)n3)C2)CCCC1 ZINC001194554472 1368284559 /nfs/dbraw/zinc/28/45/59/1368284559.db2.gz AGKMRJPAJJKDRE-GOSISDBHSA-N 1 2 344.503 3.072 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccn(CC)n3)C2)CCCC1 ZINC001194554472 1368284563 /nfs/dbraw/zinc/28/45/63/1368284563.db2.gz AGKMRJPAJJKDRE-GOSISDBHSA-N 1 2 344.503 3.072 20 30 EGEDLO CCCCCC(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001194875955 1368340342 /nfs/dbraw/zinc/34/03/42/1368340342.db2.gz DLSZXYGJWNUCKC-UHFFFAOYSA-N 1 2 331.435 3.312 20 30 EGEDLO CCCCCC(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001194875955 1368340349 /nfs/dbraw/zinc/34/03/49/1368340349.db2.gz DLSZXYGJWNUCKC-UHFFFAOYSA-N 1 2 331.435 3.312 20 30 EGEDLO C=CCCC(=O)N1CCC[N@H+](Cc2cc(-c3ccccc3)on2)CC1 ZINC001195181703 1368396235 /nfs/dbraw/zinc/39/62/35/1368396235.db2.gz FBSWTXFWVVQPJB-UHFFFAOYSA-N 1 2 339.439 3.342 20 30 EGEDLO C=CCCC(=O)N1CCC[N@@H+](Cc2cc(-c3ccccc3)on2)CC1 ZINC001195181703 1368396236 /nfs/dbraw/zinc/39/62/36/1368396236.db2.gz FBSWTXFWVVQPJB-UHFFFAOYSA-N 1 2 339.439 3.342 20 30 EGEDLO CC(C)[C@H](C)CC(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001195191613 1368397489 /nfs/dbraw/zinc/39/74/89/1368397489.db2.gz MWSIBCUZYCXUAX-GOSISDBHSA-N 1 2 344.474 3.394 20 30 EGEDLO CC(C)[C@H](C)CC(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001195191613 1368397495 /nfs/dbraw/zinc/39/74/95/1368397495.db2.gz MWSIBCUZYCXUAX-GOSISDBHSA-N 1 2 344.474 3.394 20 30 EGEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cc(C(C)(C)C)on1)C2 ZINC001111648858 1368411735 /nfs/dbraw/zinc/41/17/35/1368411735.db2.gz RXJLDKVPKXGKGU-YWZLYKJASA-N 1 2 345.487 3.409 20 30 EGEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cc(C(C)(C)C)on1)C2 ZINC001111648858 1368411739 /nfs/dbraw/zinc/41/17/39/1368411739.db2.gz RXJLDKVPKXGKGU-YWZLYKJASA-N 1 2 345.487 3.409 20 30 EGEDLO C#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C/C(Cl)=C\Cl)C2 ZINC001111729352 1368432473 /nfs/dbraw/zinc/43/24/73/1368432473.db2.gz LGXMWAMDZPDQFZ-XDVHSGBSSA-N 1 2 329.271 3.080 20 30 EGEDLO C#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](C/C(Cl)=C\Cl)C2 ZINC001111729352 1368432475 /nfs/dbraw/zinc/43/24/75/1368432475.db2.gz LGXMWAMDZPDQFZ-XDVHSGBSSA-N 1 2 329.271 3.080 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[N@@H+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC001195755070 1368482700 /nfs/dbraw/zinc/48/27/00/1368482700.db2.gz WRJXODOIHIOAMG-OAHLLOKOSA-N 1 2 334.410 3.220 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[N@H+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC001195755070 1368482702 /nfs/dbraw/zinc/48/27/02/1368482702.db2.gz WRJXODOIHIOAMG-OAHLLOKOSA-N 1 2 334.410 3.220 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001112000080 1368603575 /nfs/dbraw/zinc/60/35/75/1368603575.db2.gz HOIJFKWQOSUEMU-QGZVFWFLSA-N 1 2 342.487 3.494 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001112009340 1368613059 /nfs/dbraw/zinc/61/30/59/1368613059.db2.gz YXUMMUJNABCVRB-KSSFIOAISA-N 1 2 344.503 3.479 20 30 EGEDLO C=C[C@@H](C(=O)N(C)CCCN(C)c1cc[nH+]c(C)n1)c1ccccc1 ZINC001112097232 1368657626 /nfs/dbraw/zinc/65/76/26/1368657626.db2.gz ZNLZMOICMUFYJE-GOSISDBHSA-N 1 2 338.455 3.040 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[N@@H+]([C@H](C)c2ncc(C)o2)CC1 ZINC001196770770 1368680792 /nfs/dbraw/zinc/68/07/92/1368680792.db2.gz RSUTVSSYMXXYNR-QGZVFWFLSA-N 1 2 331.460 3.162 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[N@H+]([C@H](C)c2ncc(C)o2)CC1 ZINC001196770770 1368680800 /nfs/dbraw/zinc/68/08/00/1368680800.db2.gz RSUTVSSYMXXYNR-QGZVFWFLSA-N 1 2 331.460 3.162 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001196881524 1368705423 /nfs/dbraw/zinc/70/54/23/1368705423.db2.gz SPKMJPIUOZDVTK-INIZCTEOSA-N 1 2 343.446 3.334 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001196881524 1368705429 /nfs/dbraw/zinc/70/54/29/1368705429.db2.gz SPKMJPIUOZDVTK-INIZCTEOSA-N 1 2 343.446 3.334 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC001196880937 1368705496 /nfs/dbraw/zinc/70/54/96/1368705496.db2.gz NIBFGVRLEHARFF-KRWDZBQOSA-N 1 2 346.519 3.275 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC001196880937 1368705498 /nfs/dbraw/zinc/70/54/98/1368705498.db2.gz NIBFGVRLEHARFF-KRWDZBQOSA-N 1 2 346.519 3.275 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001112381210 1368808914 /nfs/dbraw/zinc/80/89/14/1368808914.db2.gz ITZFVZITYDLYQW-KRWDZBQOSA-N 1 2 342.487 3.090 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001112420987 1368836167 /nfs/dbraw/zinc/83/61/67/1368836167.db2.gz CQLJWZRSVFBKBF-CXAGYDPISA-N 1 2 344.503 3.335 20 30 EGEDLO CC[C@@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001197586830 1368845285 /nfs/dbraw/zinc/84/52/85/1368845285.db2.gz MYIVOPUHQCJPHW-IAGOWNOFSA-N 1 2 327.472 3.275 20 30 EGEDLO CC[C@@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001197586830 1368845290 /nfs/dbraw/zinc/84/52/90/1368845290.db2.gz MYIVOPUHQCJPHW-IAGOWNOFSA-N 1 2 327.472 3.275 20 30 EGEDLO CC(C)C[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001197598169 1368851263 /nfs/dbraw/zinc/85/12/63/1368851263.db2.gz ZJIOHYKZCQXHJJ-INIZCTEOSA-N 1 2 345.462 3.414 20 30 EGEDLO CC(C)C[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001197598169 1368851267 /nfs/dbraw/zinc/85/12/67/1368851267.db2.gz ZJIOHYKZCQXHJJ-INIZCTEOSA-N 1 2 345.462 3.414 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N(C)[C@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001112633401 1368963525 /nfs/dbraw/zinc/96/35/25/1368963525.db2.gz KFLZQNFUWIULIF-IRXDYDNUSA-N 1 2 330.476 3.205 20 30 EGEDLO C#CCCCCC(=O)N1CC[NH+](CCCc2c(F)cccc2F)CC1 ZINC001112775288 1368995488 /nfs/dbraw/zinc/99/54/88/1368995488.db2.gz NVTURJLTGJIFBR-UHFFFAOYSA-N 1 2 348.437 3.235 20 30 EGEDLO C#CCCCC(=O)N1CC[NH+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC001112809781 1369021028 /nfs/dbraw/zinc/02/10/28/1369021028.db2.gz QKLFDEVLJODTAO-AATRIKPKSA-N 1 2 330.859 3.301 20 30 EGEDLO C=CC(C)(C)C(=O)NC1CC(CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001112863806 1369054691 /nfs/dbraw/zinc/05/46/91/1369054691.db2.gz BYUQATQXRMETEW-UHFFFAOYSA-N 1 2 328.460 3.181 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)/C=C/C1CC1)c1ccccc1OC ZINC001198634910 1369078516 /nfs/dbraw/zinc/07/85/16/1369078516.db2.gz AQVGCABRMFLSIT-SCOAYWHSSA-N 1 2 334.847 3.161 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CC1(C)C)c1ccccc1OC ZINC001198669299 1369087119 /nfs/dbraw/zinc/08/71/19/1369087119.db2.gz YXSBOEDMIBKAMI-HUUCEWRRSA-N 1 2 336.863 3.241 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NC[C@H]([NH2+]CCF)c1ccccc1OC ZINC001198742398 1369103098 /nfs/dbraw/zinc/10/30/98/1369103098.db2.gz PSRHLEFTGRHCMD-AWEZNQCLSA-N 1 2 342.842 3.190 20 30 EGEDLO C#CCC1(C(=O)N[C@H](C)[C@H](C)Nc2cc(C)[nH+]c(C(C)C)n2)CCC1 ZINC001113181141 1369249496 /nfs/dbraw/zinc/24/94/96/1369249496.db2.gz RUQLEEJKIYZHCK-JKSUJKDBSA-N 1 2 342.487 3.407 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC[NH+](CCc2ccccc2Cl)CC1 ZINC001113229796 1369277479 /nfs/dbraw/zinc/27/74/79/1369277479.db2.gz RHCAMHFRCJGPBP-HZPDHXFCSA-N 1 2 334.891 3.485 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H](C)[C@@H](C)Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001113286458 1369319490 /nfs/dbraw/zinc/31/94/90/1369319490.db2.gz LCXITWCIUCMWMA-ZIAGYGMSSA-N 1 2 342.487 3.325 20 30 EGEDLO Cc1ccc(S(=O)(=O)Nc2cc[nH+]c(C3CCC3)c2)cc1C#N ZINC001201294865 1369512728 /nfs/dbraw/zinc/51/27/28/1369512728.db2.gz FUPMHEXHMPHIBB-UHFFFAOYSA-N 1 2 327.409 3.330 20 30 EGEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001113713257 1369581597 /nfs/dbraw/zinc/58/15/97/1369581597.db2.gz NDNQWHFIBWEDOC-KRWDZBQOSA-N 1 2 330.472 3.045 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@H](C)N(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001113850925 1369632904 /nfs/dbraw/zinc/63/29/04/1369632904.db2.gz CNDFYLIEBSYZMY-VBKZILBWSA-N 1 2 344.503 3.207 20 30 EGEDLO Cc1cc(NCC2(NC(=O)[C@H](C)C#N)CCCCC2)nc(C2CC2)[nH+]1 ZINC001114150628 1369764423 /nfs/dbraw/zinc/76/44/23/1369764423.db2.gz OUPOJSBCHIJKTI-CYBMUJFWSA-N 1 2 341.459 3.053 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NC1(CNc2cc[nH+]c(C)n2)CCCCC1 ZINC001114176392 1369777270 /nfs/dbraw/zinc/77/72/70/1369777270.db2.gz GNBFAHBKHBBUTR-GJZGRUSLSA-N 1 2 330.476 3.474 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001114476227 1369966271 /nfs/dbraw/zinc/96/62/71/1369966271.db2.gz CHSHQGQHYBQMKN-IRXDYDNUSA-N 1 2 344.503 3.335 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(CCC)CCC ZINC001114748069 1370059833 /nfs/dbraw/zinc/05/98/33/1370059833.db2.gz MNFQZUYTFMIBPL-FICVDOATSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(CCC)CCC ZINC001114748069 1370059836 /nfs/dbraw/zinc/05/98/36/1370059836.db2.gz MNFQZUYTFMIBPL-FICVDOATSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(C)CCC(=O)N1CCC(N(C)c2nc(C)[nH+]c(C)c2C)CC1 ZINC001115148202 1370311958 /nfs/dbraw/zinc/31/19/58/1370311958.db2.gz YWWRMHLXICSLEK-UHFFFAOYSA-N 1 2 330.476 3.185 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nccn3CC)C[C@H]21 ZINC001115162986 1370321777 /nfs/dbraw/zinc/32/17/77/1370321777.db2.gz ACOPVGRFTVVLTO-YRWFTTLQSA-N 1 2 346.519 3.200 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nccn3CC)C[C@H]21 ZINC001115162986 1370321782 /nfs/dbraw/zinc/32/17/82/1370321782.db2.gz ACOPVGRFTVVLTO-YRWFTTLQSA-N 1 2 346.519 3.200 20 30 EGEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1ccc2ccccc2c1 ZINC001203998438 1370343547 /nfs/dbraw/zinc/34/35/47/1370343547.db2.gz LWKGUVCEPCNZKC-FQEVSTJZSA-N 1 2 348.450 3.270 20 30 EGEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1ccc2ccccc2c1 ZINC001203998438 1370343550 /nfs/dbraw/zinc/34/35/50/1370343550.db2.gz LWKGUVCEPCNZKC-FQEVSTJZSA-N 1 2 348.450 3.270 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CCc3onc(COCC)c3C2)cc1 ZINC001204300438 1370435931 /nfs/dbraw/zinc/43/59/31/1370435931.db2.gz NQSFGSSVGUMFQZ-UHFFFAOYSA-N 1 2 328.412 3.334 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CCc3onc(COCC)c3C2)cc1 ZINC001204300438 1370435933 /nfs/dbraw/zinc/43/59/33/1370435933.db2.gz NQSFGSSVGUMFQZ-UHFFFAOYSA-N 1 2 328.412 3.334 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)CC12CC2 ZINC001204366850 1370454809 /nfs/dbraw/zinc/45/48/09/1370454809.db2.gz XOXPSQURBYSFBO-MRXNPFEDSA-N 1 2 327.428 3.047 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC12CC2 ZINC001204366850 1370454812 /nfs/dbraw/zinc/45/48/12/1370454812.db2.gz XOXPSQURBYSFBO-MRXNPFEDSA-N 1 2 327.428 3.047 20 30 EGEDLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC001204462939 1370483758 /nfs/dbraw/zinc/48/37/58/1370483758.db2.gz BJDIOMAVBYJIHI-LLVKDONJSA-N 1 2 331.231 3.344 20 30 EGEDLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC001204462939 1370483762 /nfs/dbraw/zinc/48/37/62/1370483762.db2.gz BJDIOMAVBYJIHI-LLVKDONJSA-N 1 2 331.231 3.344 20 30 EGEDLO C=CCCC(=O)N(C)[C@@H](CNc1nc(C)[nH+]c2c1CCCC2)C1CC1 ZINC001115490010 1370492912 /nfs/dbraw/zinc/49/29/12/1370492912.db2.gz LXWOGGQKYWMUNG-SFHVURJKSA-N 1 2 342.487 3.279 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(F)c(F)c(F)c1)C2 ZINC001204527203 1370504688 /nfs/dbraw/zinc/50/46/88/1370504688.db2.gz RXUVABOABKMPLD-RDTXWAMCSA-N 1 2 341.373 3.430 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(F)c(F)c(F)c1)C2 ZINC001204527203 1370504690 /nfs/dbraw/zinc/50/46/90/1370504690.db2.gz RXUVABOABKMPLD-RDTXWAMCSA-N 1 2 341.373 3.430 20 30 EGEDLO COc1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)ccc1F ZINC001204555659 1370513788 /nfs/dbraw/zinc/51/37/88/1370513788.db2.gz PGDUQNUXMIUILO-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CCCn3cnc(Cn4cccc4)c3C2)ccc1F ZINC001205472978 1370766188 /nfs/dbraw/zinc/76/61/88/1370766188.db2.gz NESQUZUPNBJIAJ-UHFFFAOYSA-N 1 2 349.413 3.150 20 30 EGEDLO N#Cc1cc(C[N@H+]2CCCn3cnc(Cn4cccc4)c3C2)ccc1F ZINC001205472978 1370766190 /nfs/dbraw/zinc/76/61/90/1370766190.db2.gz NESQUZUPNBJIAJ-UHFFFAOYSA-N 1 2 349.413 3.150 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2csc(C3CC3)n2)C[C@H]1C ZINC001206884685 1371205776 /nfs/dbraw/zinc/20/57/76/1371205776.db2.gz ABOJXSCYYOPAEL-RHSMWYFYSA-N 1 2 345.512 3.151 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](Cc2csc(C3CC3)n2)C[C@H]1C ZINC001206884685 1371205782 /nfs/dbraw/zinc/20/57/82/1371205782.db2.gz ABOJXSCYYOPAEL-RHSMWYFYSA-N 1 2 345.512 3.151 20 30 EGEDLO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3ncc(F)cc3F)C2)c1 ZINC001207098009 1371293049 /nfs/dbraw/zinc/29/30/49/1371293049.db2.gz DPZYXXPIMIPFDV-INIZCTEOSA-N 1 2 329.350 3.275 20 30 EGEDLO N#Cc1cccc(O[C@H]2CCC[N@H+](Cc3ncc(F)cc3F)C2)c1 ZINC001207098009 1371293054 /nfs/dbraw/zinc/29/30/54/1371293054.db2.gz DPZYXXPIMIPFDV-INIZCTEOSA-N 1 2 329.350 3.275 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2ncoc2C(C)C)C[C@H]1C ZINC001207165653 1371316353 /nfs/dbraw/zinc/31/63/53/1371316353.db2.gz YPTNQOFABFDKFN-HUUCEWRRSA-N 1 2 333.476 3.337 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2ncoc2C(C)C)C[C@H]1C ZINC001207165653 1371316357 /nfs/dbraw/zinc/31/63/57/1371316357.db2.gz YPTNQOFABFDKFN-HUUCEWRRSA-N 1 2 333.476 3.337 20 30 EGEDLO CC[C@@H](CO)Nc1cc(N[C@@H]2CCCc3cc(C#N)ccc32)nc[nH+]1 ZINC001119968517 1371435636 /nfs/dbraw/zinc/43/56/36/1371435636.db2.gz ZKDKHVCGUZOMDN-DOTOQJQBSA-N 1 2 337.427 3.021 20 30 EGEDLO CC[C@@H](CO)Nc1cc(N[C@@H]2CCCc3cc(C#N)ccc32)[nH+]cn1 ZINC001119968517 1371435637 /nfs/dbraw/zinc/43/56/37/1371435637.db2.gz ZKDKHVCGUZOMDN-DOTOQJQBSA-N 1 2 337.427 3.021 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)C(C)(C)C ZINC001207713327 1371483251 /nfs/dbraw/zinc/48/32/51/1371483251.db2.gz OIXTXOFMXYRSKA-HBUWYVDXSA-N 1 2 345.462 3.316 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)C(C)(C)C ZINC001207713327 1371483256 /nfs/dbraw/zinc/48/32/56/1371483256.db2.gz OIXTXOFMXYRSKA-HBUWYVDXSA-N 1 2 345.462 3.316 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C(C)(C)C)C1 ZINC001208321299 1371716815 /nfs/dbraw/zinc/71/68/15/1371716815.db2.gz RHOROFZYLXVNRE-DGCLKSJQSA-N 1 2 345.325 3.404 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C(C)(C)C)C1 ZINC001208321299 1371716818 /nfs/dbraw/zinc/71/68/18/1371716818.db2.gz RHOROFZYLXVNRE-DGCLKSJQSA-N 1 2 345.325 3.404 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2nc3c(o2)CCCC3)C[C@H]1C ZINC001208393239 1371751222 /nfs/dbraw/zinc/75/12/22/1371751222.db2.gz LSVUOPUVERNOPZ-HLLBOEOZSA-N 1 2 345.487 3.092 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2nc3c(o2)CCCC3)C[C@H]1C ZINC001208393239 1371751226 /nfs/dbraw/zinc/75/12/26/1371751226.db2.gz LSVUOPUVERNOPZ-HLLBOEOZSA-N 1 2 345.487 3.092 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001208511996 1371794778 /nfs/dbraw/zinc/79/47/78/1371794778.db2.gz QXQXHMKLXBZXCH-VVFCZOMOSA-N 1 2 331.460 3.091 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001208511996 1371794784 /nfs/dbraw/zinc/79/47/84/1371794784.db2.gz QXQXHMKLXBZXCH-VVFCZOMOSA-N 1 2 331.460 3.091 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccn(C(C)C)n3)C[C@H]2C)CC1 ZINC001208515030 1371796484 /nfs/dbraw/zinc/79/64/84/1371796484.db2.gz BQCPXLMGFKYYSH-SJLPKXTDSA-N 1 2 344.503 3.147 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccn(C(C)C)n3)C[C@H]2C)CC1 ZINC001208515030 1371796491 /nfs/dbraw/zinc/79/64/91/1371796491.db2.gz BQCPXLMGFKYYSH-SJLPKXTDSA-N 1 2 344.503 3.147 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2ccccc2F)C1 ZINC001208597335 1371834665 /nfs/dbraw/zinc/83/46/65/1371834665.db2.gz MSKCQUHCSSOKQY-PBFPGSCMSA-N 1 2 338.854 3.193 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2ccccc2F)C1 ZINC001208597335 1371834667 /nfs/dbraw/zinc/83/46/67/1371834667.db2.gz MSKCQUHCSSOKQY-PBFPGSCMSA-N 1 2 338.854 3.193 20 30 EGEDLO C=C(C)CCC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001121037578 1371839558 /nfs/dbraw/zinc/83/95/58/1371839558.db2.gz MSPIJVFLNXBNBE-SJLPKXTDSA-N 1 2 336.863 3.184 20 30 EGEDLO C=C(C)CCC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001121037578 1371839561 /nfs/dbraw/zinc/83/95/61/1371839561.db2.gz MSPIJVFLNXBNBE-SJLPKXTDSA-N 1 2 336.863 3.184 20 30 EGEDLO CCOC(=O)C1(C#N)CC[NH+](CCc2ccc(F)cc2Cl)CC1 ZINC001209114512 1372001350 /nfs/dbraw/zinc/00/13/50/1372001350.db2.gz OBWQFDWEYJWHEW-UHFFFAOYSA-N 1 2 338.810 3.190 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2nc(CCCC)no2)C1 ZINC001209146756 1372014070 /nfs/dbraw/zinc/01/40/70/1372014070.db2.gz QJDKHJRXYJVGCR-HOTGVXAUSA-N 1 2 348.491 3.095 20 30 EGEDLO CCC[C@H](CC)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001209800219 1372202337 /nfs/dbraw/zinc/20/23/37/1372202337.db2.gz RRSDAYHBJHRTMX-ZRGWGRIASA-N 1 2 345.462 3.460 20 30 EGEDLO CCC[C@H](CC)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001209800219 1372202340 /nfs/dbraw/zinc/20/23/40/1372202340.db2.gz RRSDAYHBJHRTMX-ZRGWGRIASA-N 1 2 345.462 3.460 20 30 EGEDLO Cc1cc(C#N)ccc1Nc1ccc(N2CC[NH+](C3COC3)CC2)cc1 ZINC001210377088 1372336937 /nfs/dbraw/zinc/33/69/37/1372336937.db2.gz ZBNGIYNVFBWROH-UHFFFAOYSA-N 1 2 348.450 3.131 20 30 EGEDLO Cc1ccc(Nc2cccc(OCC[NH+]3CCOCC3)c2)c(C#N)c1 ZINC001210567123 1372380438 /nfs/dbraw/zinc/38/04/38/1372380438.db2.gz ZHHOQBWXRHJOBK-UHFFFAOYSA-N 1 2 337.423 3.321 20 30 EGEDLO Cc1cc(N[C@H]2C[C@@H](C)N(C(=O)C#CC(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC001123201856 1372396004 /nfs/dbraw/zinc/39/60/04/1372396004.db2.gz GNMZHYSPQKTAIR-CVEARBPZSA-N 1 2 342.487 3.359 20 30 EGEDLO CCCCCCCCC(=O)N1CCC[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001210803988 1372430091 /nfs/dbraw/zinc/43/00/91/1372430091.db2.gz DDLCDLICTHCNSG-INIZCTEOSA-N 1 2 336.480 3.209 20 30 EGEDLO Cc1cc(N2CCC[C@H](NC(=O)C#CC(C)C)[C@@H]2C)nc(C(C)C)[nH+]1 ZINC001123568512 1372509718 /nfs/dbraw/zinc/50/97/18/1372509718.db2.gz DTQYRAVDCQBEKK-IRXDYDNUSA-N 1 2 342.487 3.041 20 30 EGEDLO C=C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2nccs2)C[C@H]1C)c1ccccc1 ZINC001211241618 1372510151 /nfs/dbraw/zinc/51/01/51/1372510151.db2.gz NPJYZFAQGNPTJH-HYVNUMGLSA-N 1 2 341.480 3.049 20 30 EGEDLO C=C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2nccs2)C[C@H]1C)c1ccccc1 ZINC001211241618 1372510156 /nfs/dbraw/zinc/51/01/56/1372510156.db2.gz NPJYZFAQGNPTJH-HYVNUMGLSA-N 1 2 341.480 3.049 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001123636773 1372534623 /nfs/dbraw/zinc/53/46/23/1372534623.db2.gz OZFZCRMWZTVFMY-WBVHZDCISA-N 1 2 342.487 3.492 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2ccc(F)cc2)C1 ZINC001211438728 1372558767 /nfs/dbraw/zinc/55/87/67/1372558767.db2.gz XTEXIEFQUDVZPP-PBFPGSCMSA-N 1 2 338.854 3.193 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2ccc(F)cc2)C1 ZINC001211438728 1372558778 /nfs/dbraw/zinc/55/87/78/1372558778.db2.gz XTEXIEFQUDVZPP-PBFPGSCMSA-N 1 2 338.854 3.193 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3nccs3)C[C@H]2C)CCCC1 ZINC001211492751 1372568750 /nfs/dbraw/zinc/56/87/50/1372568750.db2.gz KKHWWRNJOIJUFO-HUUCEWRRSA-N 1 2 333.501 3.216 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3nccs3)C[C@H]2C)CCCC1 ZINC001211492751 1372568753 /nfs/dbraw/zinc/56/87/53/1372568753.db2.gz KKHWWRNJOIJUFO-HUUCEWRRSA-N 1 2 333.501 3.216 20 30 EGEDLO CCCCCCCCS(=O)(=O)NCc1c[nH+]c2c(C)cccn12 ZINC001188020795 1388217308 /nfs/dbraw/zinc/21/73/08/1388217308.db2.gz GTVAGVNTFVUJEU-UHFFFAOYSA-N 1 2 337.489 3.423 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3nc(C)no3)C2)CCCCC1 ZINC001188045846 1388228206 /nfs/dbraw/zinc/22/82/06/1388228206.db2.gz BRIVHGMQQCBUCX-GDBMZVCRSA-N 1 2 346.475 3.156 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([NH2+]Cc3ncc(CC)o3)C2)CCCCC1 ZINC001188052543 1388229152 /nfs/dbraw/zinc/22/91/52/1388229152.db2.gz HANVBDGUCZELHO-MRXNPFEDSA-N 1 2 345.487 3.454 20 30 EGEDLO C=CCCC1(C(=O)N[C@H](CNc2cc[nH+]c(C)n2)C(C)(C)C)CC1 ZINC001126092488 1372932554 /nfs/dbraw/zinc/93/25/54/1372932554.db2.gz YDDVLBSMFHXKCM-OAHLLOKOSA-N 1 2 330.476 3.474 20 30 EGEDLO C=CCCCC(=O)NCC1=CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001127741062 1373172487 /nfs/dbraw/zinc/17/24/87/1373172487.db2.gz ZYFJZPBJEMDZLN-UHFFFAOYSA-N 1 2 340.471 3.271 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CC3(C)C)c2C1 ZINC001128295621 1373247886 /nfs/dbraw/zinc/24/78/86/1373247886.db2.gz RYFUSIOWKOJQBT-QGZVFWFLSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CC3(C)C)c2C1 ZINC001128295621 1373247891 /nfs/dbraw/zinc/24/78/91/1373247891.db2.gz RYFUSIOWKOJQBT-QGZVFWFLSA-N 1 2 344.503 3.107 20 30 EGEDLO C=C(C)CCC(=O)NCc1cnn2c1C[N@H+](CC/C=C\CCC)CC2 ZINC001128372076 1373258330 /nfs/dbraw/zinc/25/83/30/1373258330.db2.gz JQMIFVGNIICXJE-SREVYHEPSA-N 1 2 344.503 3.418 20 30 EGEDLO C=C(C)CCC(=O)NCc1cnn2c1C[N@@H+](CC/C=C\CCC)CC2 ZINC001128372076 1373258335 /nfs/dbraw/zinc/25/83/35/1373258335.db2.gz JQMIFVGNIICXJE-SREVYHEPSA-N 1 2 344.503 3.418 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCc1cnn2c1C[N@H+](CCCCCC)CC2 ZINC001128453380 1373270463 /nfs/dbraw/zinc/27/04/63/1373270463.db2.gz GXIMJLAGFZLZJF-QGZVFWFLSA-N 1 2 346.519 3.498 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCc1cnn2c1C[N@@H+](CCCCCC)CC2 ZINC001128453380 1373270467 /nfs/dbraw/zinc/27/04/67/1373270467.db2.gz GXIMJLAGFZLZJF-QGZVFWFLSA-N 1 2 346.519 3.498 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCc1cnn2c1C[N@H+](CCCCCC)CC2 ZINC001128463511 1373272984 /nfs/dbraw/zinc/27/29/84/1373272984.db2.gz LIALHZDDJYRYCE-KRWDZBQOSA-N 1 2 346.519 3.498 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCc1cnn2c1C[N@@H+](CCCCCC)CC2 ZINC001128463511 1373272986 /nfs/dbraw/zinc/27/29/86/1373272986.db2.gz LIALHZDDJYRYCE-KRWDZBQOSA-N 1 2 346.519 3.498 20 30 EGEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(Cl)c3)C[C@H]21 ZINC001221530137 1373777815 /nfs/dbraw/zinc/77/78/15/1373777815.db2.gz WRDHZXAYMYAABU-CRAIPNDOSA-N 1 2 348.849 3.171 20 30 EGEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(Cl)c3)C[C@H]21 ZINC001221530137 1373777822 /nfs/dbraw/zinc/77/78/22/1373777822.db2.gz WRDHZXAYMYAABU-CRAIPNDOSA-N 1 2 348.849 3.171 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131899866 1375036213 /nfs/dbraw/zinc/03/62/13/1375036213.db2.gz QYOSVSHYFPWOAS-KSSFIOAISA-N 1 2 329.419 3.133 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131899866 1375036214 /nfs/dbraw/zinc/03/62/14/1375036214.db2.gz QYOSVSHYFPWOAS-KSSFIOAISA-N 1 2 329.419 3.133 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)CCC2CC2)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC001131921849 1375047731 /nfs/dbraw/zinc/04/77/31/1375047731.db2.gz DNIDOUSEZNPVOD-LIRRHRJNSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)CCC2CC2)C[N@H+]1Cc1cc(F)ccc1C#N ZINC001131921849 1375047735 /nfs/dbraw/zinc/04/77/35/1375047735.db2.gz DNIDOUSEZNPVOD-LIRRHRJNSA-N 1 2 343.446 3.357 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2csc(C)n2)C1 ZINC001131976191 1375079607 /nfs/dbraw/zinc/07/96/07/1375079607.db2.gz IFGGKEYMRAPPIS-HOCLYGCPSA-N 1 2 333.501 3.114 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2csc(C)n2)C1 ZINC001131976191 1375079612 /nfs/dbraw/zinc/07/96/12/1375079612.db2.gz IFGGKEYMRAPPIS-HOCLYGCPSA-N 1 2 333.501 3.114 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ncoc2C(C)C)C1 ZINC001132003361 1375093300 /nfs/dbraw/zinc/09/33/00/1375093300.db2.gz UIJDRAHHAWZJQT-HZPDHXFCSA-N 1 2 331.460 3.071 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001132003361 1375093307 /nfs/dbraw/zinc/09/33/07/1375093307.db2.gz UIJDRAHHAWZJQT-HZPDHXFCSA-N 1 2 331.460 3.071 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001132002667 1375093430 /nfs/dbraw/zinc/09/34/30/1375093430.db2.gz MFQLAVCCCLHGDF-GDBMZVCRSA-N 1 2 333.863 3.008 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001132002667 1375093436 /nfs/dbraw/zinc/09/34/36/1375093436.db2.gz MFQLAVCCCLHGDF-GDBMZVCRSA-N 1 2 333.863 3.008 20 30 EGEDLO Cc1nc(C[N@H+]2C[C@H](NC(=O)C#CC(C)(C)C)CC[C@@H]2C)c(C)s1 ZINC001132033457 1375108246 /nfs/dbraw/zinc/10/82/46/1375108246.db2.gz GPCBUIWMAAFECB-XJKSGUPXSA-N 1 2 347.528 3.279 20 30 EGEDLO Cc1nc(C[N@@H+]2C[C@H](NC(=O)C#CC(C)(C)C)CC[C@@H]2C)c(C)s1 ZINC001132033457 1375108248 /nfs/dbraw/zinc/10/82/48/1375108248.db2.gz GPCBUIWMAAFECB-XJKSGUPXSA-N 1 2 347.528 3.279 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1cccc(Cl)n1 ZINC001132034488 1375109619 /nfs/dbraw/zinc/10/96/19/1375109619.db2.gz RWVQDYWABUTCRX-HOCLYGCPSA-N 1 2 347.890 3.254 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1cccc(Cl)n1 ZINC001132034488 1375109622 /nfs/dbraw/zinc/10/96/22/1375109622.db2.gz RWVQDYWABUTCRX-HOCLYGCPSA-N 1 2 347.890 3.254 20 30 EGEDLO Cc1nc(C[N@H+]2C[C@H](NC(=O)C#CC(C)(C)C)CC[C@H]2C)sc1C ZINC001132034900 1375110032 /nfs/dbraw/zinc/11/00/32/1375110032.db2.gz WGWPHNAVIONZMU-CZUORRHYSA-N 1 2 347.528 3.279 20 30 EGEDLO Cc1nc(C[N@@H+]2C[C@H](NC(=O)C#CC(C)(C)C)CC[C@H]2C)sc1C ZINC001132034900 1375110034 /nfs/dbraw/zinc/11/00/34/1375110034.db2.gz WGWPHNAVIONZMU-CZUORRHYSA-N 1 2 347.528 3.279 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2(CCOCC)CCC2)CC[C@H]1C ZINC001132050870 1375118952 /nfs/dbraw/zinc/11/89/52/1375118952.db2.gz VCVGCQZASKRBLW-HZPDHXFCSA-N 1 2 342.911 3.305 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2(CCOCC)CCC2)CC[C@H]1C ZINC001132050870 1375118959 /nfs/dbraw/zinc/11/89/59/1375118959.db2.gz VCVGCQZASKRBLW-HZPDHXFCSA-N 1 2 342.911 3.305 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(F)cn2)C1 ZINC001132057392 1375123114 /nfs/dbraw/zinc/12/31/14/1375123114.db2.gz OOWIKSYDUAHLEM-KXBFYZLASA-N 1 2 345.462 3.458 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccc(F)cn2)C1 ZINC001132057392 1375123118 /nfs/dbraw/zinc/12/31/18/1375123118.db2.gz OOWIKSYDUAHLEM-KXBFYZLASA-N 1 2 345.462 3.458 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(C)on2)C1 ZINC001132077161 1375134670 /nfs/dbraw/zinc/13/46/70/1375134670.db2.gz GJQBSDAMSIQBAH-SMDDNHRTSA-N 1 2 339.867 3.231 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cc(C)on2)C1 ZINC001132077161 1375134672 /nfs/dbraw/zinc/13/46/72/1375134672.db2.gz GJQBSDAMSIQBAH-SMDDNHRTSA-N 1 2 339.867 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2(COC)CCCCC2)CC[C@H]1C ZINC001132101755 1375148846 /nfs/dbraw/zinc/14/88/46/1375148846.db2.gz ODOICLMJAXBJPU-CVEARBPZSA-N 1 2 342.911 3.305 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2(COC)CCCCC2)CC[C@H]1C ZINC001132101755 1375148849 /nfs/dbraw/zinc/14/88/49/1375148849.db2.gz ODOICLMJAXBJPU-CVEARBPZSA-N 1 2 342.911 3.305 20 30 EGEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccc(C(F)(F)F)c3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225889184 1375169403 /nfs/dbraw/zinc/16/94/03/1375169403.db2.gz SCBJTHGFWCEGLQ-LEGMNPEXSA-N 1 2 333.737 3.350 20 30 EGEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc(C(F)(F)F)c3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225889184 1375169405 /nfs/dbraw/zinc/16/94/05/1375169405.db2.gz SCBJTHGFWCEGLQ-LEGMNPEXSA-N 1 2 333.737 3.350 20 30 EGEDLO C[C@@H](Oc1cccc(/C=N/O)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226114868 1375205652 /nfs/dbraw/zinc/20/56/52/1375205652.db2.gz SKQYHFIOLPAMPI-BTUAIKHXSA-N 1 2 340.423 3.163 20 30 EGEDLO C[C@@H](Oc1cccc(/C=N/O)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226114868 1375205658 /nfs/dbraw/zinc/20/56/58/1375205658.db2.gz SKQYHFIOLPAMPI-BTUAIKHXSA-N 1 2 340.423 3.163 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2csc(C)n2)C1 ZINC001132223617 1375220930 /nfs/dbraw/zinc/22/09/30/1375220930.db2.gz GETSUYVYHRWYQN-GOEBONIOSA-N 1 2 333.501 3.114 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2csc(C)n2)C1 ZINC001132223617 1375220932 /nfs/dbraw/zinc/22/09/32/1375220932.db2.gz GETSUYVYHRWYQN-GOEBONIOSA-N 1 2 333.501 3.114 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001132256724 1375250664 /nfs/dbraw/zinc/25/06/64/1375250664.db2.gz PNSJLCJHBICESV-CVEARBPZSA-N 1 2 345.487 3.379 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2noc3c2CCCC3)C1 ZINC001132256724 1375250667 /nfs/dbraw/zinc/25/06/67/1375250667.db2.gz PNSJLCJHBICESV-CVEARBPZSA-N 1 2 345.487 3.379 20 30 EGEDLO C=CCCC(=O)NC1CC[NH+]([C@H](C)c2nc(CCCC)no2)CC1 ZINC001226518664 1375273445 /nfs/dbraw/zinc/27/34/45/1375273445.db2.gz KGDJDQJPJALVQX-CQSZACIVSA-N 1 2 334.464 3.020 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cnnn2C)C1 ZINC001132437504 1375382059 /nfs/dbraw/zinc/38/20/59/1375382059.db2.gz VNGIYKPOBLOZNI-IAGOWNOFSA-N 1 2 349.523 3.035 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cnnn2C)C1 ZINC001132437504 1375382061 /nfs/dbraw/zinc/38/20/61/1375382061.db2.gz VNGIYKPOBLOZNI-IAGOWNOFSA-N 1 2 349.523 3.035 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(=C)Cl)C2)CCOCC1 ZINC001132453142 1375395677 /nfs/dbraw/zinc/39/56/77/1375395677.db2.gz JXMWMRWRORTOAB-HZPDHXFCSA-N 1 2 340.895 3.081 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(=C)Cl)C2)CCOCC1 ZINC001132453142 1375395681 /nfs/dbraw/zinc/39/56/81/1375395681.db2.gz JXMWMRWRORTOAB-HZPDHXFCSA-N 1 2 340.895 3.081 20 30 EGEDLO C=C(C)CCC(=O)NC1CC[NH+]([C@H](C)c2nc(C(C)C)no2)CC1 ZINC001227606879 1375451955 /nfs/dbraw/zinc/45/19/55/1375451955.db2.gz CEGJQYJEMGZPCM-CQSZACIVSA-N 1 2 334.464 3.191 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(C2CCC2)n1 ZINC001227973559 1375496833 /nfs/dbraw/zinc/49/68/33/1375496833.db2.gz SVFIINVGBGTLFV-HUUCEWRRSA-N 1 2 346.475 3.066 20 30 EGEDLO C=CC(C)(C)C(=O)NC1CC[NH+](Cc2ncc(C(C)(C)C)o2)CC1 ZINC001228631095 1375622520 /nfs/dbraw/zinc/62/25/20/1375622520.db2.gz CFKZEGJYQFNTQR-UHFFFAOYSA-N 1 2 333.476 3.265 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC1CC[NH+](Cc2ncc(C(C)C)o2)CC1 ZINC001228809527 1375683239 /nfs/dbraw/zinc/68/32/39/1375683239.db2.gz JHRVJCDIHCLOOU-OAHLLOKOSA-N 1 2 333.476 3.481 20 30 EGEDLO COc1ccc2nc(O[C@@H]3CC[N@H+](Cc4ccccc4C#N)C3)[nH]c2c1 ZINC001229728882 1375881881 /nfs/dbraw/zinc/88/18/81/1375881881.db2.gz FTZIYMOYPALADG-QGZVFWFLSA-N 1 2 348.406 3.096 20 30 EGEDLO COc1ccc2nc(O[C@@H]3CC[N@@H+](Cc4ccccc4C#N)C3)[nH]c2c1 ZINC001229728882 1375881885 /nfs/dbraw/zinc/88/18/85/1375881885.db2.gz FTZIYMOYPALADG-QGZVFWFLSA-N 1 2 348.406 3.096 20 30 EGEDLO CC[C@@H](COc1nc(C)c(-c2ccc3[nH+]ccn3c2)cc1C#N)OC ZINC001229770179 1375889945 /nfs/dbraw/zinc/88/99/45/1375889945.db2.gz XZPYVDJUAYJZJS-INIZCTEOSA-N 1 2 336.395 3.380 20 30 EGEDLO Cc1nc(O[C@@H]2CCCCC2=O)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229770153 1375889982 /nfs/dbraw/zinc/88/99/82/1375889982.db2.gz XHMRHSZKSHEACM-GOSISDBHSA-N 1 2 346.390 3.467 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3csc(C)n3)C[C@H]21 ZINC001188909792 1388407762 /nfs/dbraw/zinc/40/77/62/1388407762.db2.gz ZQDJTXRNBUKKKX-UKPHBRMFSA-N 1 2 333.501 3.087 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3csc(C)n3)C[C@H]21 ZINC001188909792 1388407765 /nfs/dbraw/zinc/40/77/65/1388407765.db2.gz ZQDJTXRNBUKKKX-UKPHBRMFSA-N 1 2 333.501 3.087 20 30 EGEDLO C[C@H](CC(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1)C1CC1 ZINC001230386933 1376014402 /nfs/dbraw/zinc/01/44/02/1376014402.db2.gz IYIXGUUJRXZAJN-CQSZACIVSA-N 1 2 343.446 3.214 20 30 EGEDLO CC(C)(CC(F)(F)F)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230612691 1376102600 /nfs/dbraw/zinc/10/26/00/1376102600.db2.gz DHWMLHWQKCEKJG-AWEZNQCLSA-N 1 2 345.409 3.192 20 30 EGEDLO CC(C)(CC(F)(F)F)C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001230612691 1376102602 /nfs/dbraw/zinc/10/26/02/1376102602.db2.gz DHWMLHWQKCEKJG-AWEZNQCLSA-N 1 2 345.409 3.192 20 30 EGEDLO C=C(Cl)C[N@@H+](CCCNC(=O)[C@H]1C[C@@H]1C(C)C)Cc1cccnc1 ZINC001230881679 1376176179 /nfs/dbraw/zinc/17/61/79/1376176179.db2.gz JNIAEBRIXWOVEI-MSOLQXFVSA-N 1 2 349.906 3.435 20 30 EGEDLO C=C(Cl)C[N@H+](CCCNC(=O)[C@H]1C[C@@H]1C(C)C)Cc1cccnc1 ZINC001230881679 1376176183 /nfs/dbraw/zinc/17/61/83/1376176183.db2.gz JNIAEBRIXWOVEI-MSOLQXFVSA-N 1 2 349.906 3.435 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001188999390 1388432432 /nfs/dbraw/zinc/43/24/32/1388432432.db2.gz MRHGARIOMBMXTH-QFBILLFUSA-N 1 2 341.430 3.086 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001188999390 1388432434 /nfs/dbraw/zinc/43/24/34/1388432434.db2.gz MRHGARIOMBMXTH-QFBILLFUSA-N 1 2 341.430 3.086 20 30 EGEDLO COc1ncc(F)cc1C[N@@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001231746518 1376314853 /nfs/dbraw/zinc/31/48/53/1376314853.db2.gz HGPWWHSLEKIKIN-QGZVFWFLSA-N 1 2 341.386 3.144 20 30 EGEDLO COc1ncc(F)cc1C[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001231746518 1376314858 /nfs/dbraw/zinc/31/48/58/1376314858.db2.gz HGPWWHSLEKIKIN-QGZVFWFLSA-N 1 2 341.386 3.144 20 30 EGEDLO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232674278 1376499459 /nfs/dbraw/zinc/49/94/59/1376499459.db2.gz VFQJNYCRBNHDQG-AWEZNQCLSA-N 1 2 345.443 3.095 20 30 EGEDLO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232674278 1376499465 /nfs/dbraw/zinc/49/94/65/1376499465.db2.gz VFQJNYCRBNHDQG-AWEZNQCLSA-N 1 2 345.443 3.095 20 30 EGEDLO N#Cc1ccc(O)c(C[NH+]2CCC(n3c(=O)oc4ccccc43)CC2)c1 ZINC001232679435 1376499954 /nfs/dbraw/zinc/49/99/54/1376499954.db2.gz KSNDCAGPMIMJNB-UHFFFAOYSA-N 1 2 349.390 3.009 20 30 EGEDLO C[C@]1(c2ccc(F)cc2)C[N@H+](Cc2cc(C#N)ccc2O)CCO1 ZINC001232678954 1376499991 /nfs/dbraw/zinc/49/99/91/1376499991.db2.gz VPXIAQCPXQDILL-LJQANCHMSA-N 1 2 326.371 3.151 20 30 EGEDLO C[C@]1(c2ccc(F)cc2)C[N@@H+](Cc2cc(C#N)ccc2O)CCO1 ZINC001232678954 1376499992 /nfs/dbraw/zinc/49/99/92/1376499992.db2.gz VPXIAQCPXQDILL-LJQANCHMSA-N 1 2 326.371 3.151 20 30 EGEDLO Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC001233082384 1376568325 /nfs/dbraw/zinc/56/83/25/1376568325.db2.gz KQWGJHZQVFVTMR-UHFFFAOYSA-N 1 2 333.435 3.133 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)c(O)c1 ZINC001233386069 1376633714 /nfs/dbraw/zinc/63/37/14/1376633714.db2.gz FDHZEZFPDZIFGM-UHFFFAOYSA-N 1 2 327.815 3.239 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)CC(C)(C)C1CC1 ZINC001234098586 1376765330 /nfs/dbraw/zinc/76/53/30/1376765330.db2.gz DHLVIZGOAYFZML-HXUWFJFHSA-N 1 2 338.495 3.397 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)CC(C)(C)C1CC1 ZINC001234098586 1376765335 /nfs/dbraw/zinc/76/53/35/1376765335.db2.gz DHLVIZGOAYFZML-HXUWFJFHSA-N 1 2 338.495 3.397 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1sccc1Cl)C(=O)C#CC(C)(C)C ZINC001234196382 1376784331 /nfs/dbraw/zinc/78/43/31/1376784331.db2.gz SLARCZJCPLJNPU-ZDUSSCGKSA-N 1 2 338.904 3.484 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1sccc1Cl)C(=O)C#CC(C)(C)C ZINC001234196382 1376784335 /nfs/dbraw/zinc/78/43/35/1376784335.db2.gz SLARCZJCPLJNPU-ZDUSSCGKSA-N 1 2 338.904 3.484 20 30 EGEDLO CC(C)(C)OC(=O)C[C@@H]1CC[N@H+](Cc2c(F)cc(C#N)cc2F)C1 ZINC001235665074 1376883256 /nfs/dbraw/zinc/88/32/56/1376883256.db2.gz SOSZKOOXALMYMX-LBPRGKRZSA-N 1 2 336.382 3.390 20 30 EGEDLO CC(C)(C)OC(=O)C[C@@H]1CC[N@@H+](Cc2c(F)cc(C#N)cc2F)C1 ZINC001235665074 1376883259 /nfs/dbraw/zinc/88/32/59/1376883259.db2.gz SOSZKOOXALMYMX-LBPRGKRZSA-N 1 2 336.382 3.390 20 30 EGEDLO C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C1CCC1 ZINC001235743299 1376888540 /nfs/dbraw/zinc/88/85/40/1376888540.db2.gz PRJVSNBJVKHXNC-HNAYVOBHSA-N 1 2 325.456 3.027 20 30 EGEDLO C[C@H](C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C1CCC1 ZINC001235743299 1376888544 /nfs/dbraw/zinc/88/85/44/1376888544.db2.gz PRJVSNBJVKHXNC-HNAYVOBHSA-N 1 2 325.456 3.027 20 30 EGEDLO C[N@H+](CCNC(=O)CC1(C)CCCCC1)Cc1ccccc1C#N ZINC001266295777 1377261915 /nfs/dbraw/zinc/26/19/15/1377261915.db2.gz YOJHHNJRMQPNIX-UHFFFAOYSA-N 1 2 327.472 3.467 20 30 EGEDLO C[N@@H+](CCNC(=O)CC1(C)CCCCC1)Cc1ccccc1C#N ZINC001266295777 1377261916 /nfs/dbraw/zinc/26/19/16/1377261916.db2.gz YOJHHNJRMQPNIX-UHFFFAOYSA-N 1 2 327.472 3.467 20 30 EGEDLO CC(C)(C)CC(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001266584176 1377337596 /nfs/dbraw/zinc/33/75/96/1377337596.db2.gz WHADFHDUDPWCCR-UHFFFAOYSA-N 1 2 331.435 3.214 20 30 EGEDLO CC(C)(C)CC(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001266584176 1377337600 /nfs/dbraw/zinc/33/76/00/1377337600.db2.gz WHADFHDUDPWCCR-UHFFFAOYSA-N 1 2 331.435 3.214 20 30 EGEDLO COc1ccc(C[NH+]2CCC(Oc3cc(C)ccn3)CC2)c(C#N)c1 ZINC001137706756 1377600933 /nfs/dbraw/zinc/60/09/33/1377600933.db2.gz PJJFIEMSHAIGOC-UHFFFAOYSA-N 1 2 337.423 3.314 20 30 EGEDLO O=C(C1CC1)N1CC[NH+](Cc2ccc(C#Cc3ccccc3)cc2)CC1 ZINC001138336289 1377704439 /nfs/dbraw/zinc/70/44/39/1377704439.db2.gz NZGBQIVACOKQPX-UHFFFAOYSA-N 1 2 344.458 3.141 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(Cl)c2)C1 ZINC001138473281 1377727692 /nfs/dbraw/zinc/72/76/92/1377727692.db2.gz TUMVYIVQDLJPQO-CQSZACIVSA-N 1 2 338.835 3.225 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(OC)c(Cl)c2)C1 ZINC001138473281 1377727694 /nfs/dbraw/zinc/72/76/94/1377727694.db2.gz TUMVYIVQDLJPQO-CQSZACIVSA-N 1 2 338.835 3.225 20 30 EGEDLO CCOC[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)Cc2cnn(CC)c21 ZINC001139528195 1377897946 /nfs/dbraw/zinc/89/79/46/1377897946.db2.gz NTTRSMNJJWDAFO-QGZVFWFLSA-N 1 2 342.418 3.050 20 30 EGEDLO CCOC[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)Cc2cnn(CC)c21 ZINC001139528195 1377897952 /nfs/dbraw/zinc/89/79/52/1377897952.db2.gz NTTRSMNJJWDAFO-QGZVFWFLSA-N 1 2 342.418 3.050 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3nccc4occc43)CC2)cc1F ZINC001139529531 1377898437 /nfs/dbraw/zinc/89/84/37/1377898437.db2.gz VIZLNCWCSSSPQZ-UHFFFAOYSA-N 1 2 336.370 3.161 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cc(C#N)ccc1F)CCO2 ZINC001139649258 1377926569 /nfs/dbraw/zinc/92/65/69/1377926569.db2.gz WEXDSPXCPGGABG-AZUAARDMSA-N 1 2 344.430 3.271 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cc(C#N)ccc1F)CCO2 ZINC001139649258 1377926570 /nfs/dbraw/zinc/92/65/70/1377926570.db2.gz WEXDSPXCPGGABG-AZUAARDMSA-N 1 2 344.430 3.271 20 30 EGEDLO Cc1nccnc1O[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139692676 1377936305 /nfs/dbraw/zinc/93/63/05/1377936305.db2.gz FKETZQNBAMGDEY-OAHLLOKOSA-N 1 2 342.830 3.354 20 30 EGEDLO Cc1nccnc1O[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139692676 1377936308 /nfs/dbraw/zinc/93/63/08/1377936308.db2.gz FKETZQNBAMGDEY-OAHLLOKOSA-N 1 2 342.830 3.354 20 30 EGEDLO N#Cc1cccc2c(CN3CC[NH+](Cc4ccccc4F)CC3)c[nH]c21 ZINC001139702815 1377937848 /nfs/dbraw/zinc/93/78/48/1377937848.db2.gz BAAYQNYYFBULLP-UHFFFAOYSA-N 1 2 348.425 3.496 20 30 EGEDLO COc1ccccc1CN1CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC001139724485 1377941665 /nfs/dbraw/zinc/94/16/65/1377941665.db2.gz TWIMWIQRIPWLMT-UHFFFAOYSA-N 1 2 335.451 3.193 20 30 EGEDLO Cc1ccc(C[N@@H+]2CCC[C@H]3[C@H]2CN3C(=O)OC(C)(C)C)cc1C#N ZINC001139724970 1377941935 /nfs/dbraw/zinc/94/19/35/1377941935.db2.gz XZGLKHGWWSXXSY-ZWKOTPCHSA-N 1 2 341.455 3.450 20 30 EGEDLO Cc1ccc(C[N@H+]2CCC[C@H]3[C@H]2CN3C(=O)OC(C)(C)C)cc1C#N ZINC001139724970 1377941936 /nfs/dbraw/zinc/94/19/36/1377941936.db2.gz XZGLKHGWWSXXSY-ZWKOTPCHSA-N 1 2 341.455 3.450 20 30 EGEDLO Cc1ccc(C[NH+]2CCN(c3ccc4c(c3)CCC4=O)CC2)cc1C#N ZINC001139727526 1377942578 /nfs/dbraw/zinc/94/25/78/1377942578.db2.gz SSWUPNOSQJPRAV-UHFFFAOYSA-N 1 2 345.446 3.318 20 30 EGEDLO N#Cc1cc(F)cc(C[N@@H+]2CCCn3cnc(Cn4cccc4)c3C2)c1 ZINC001139874627 1377969920 /nfs/dbraw/zinc/96/99/20/1377969920.db2.gz FTOLPSQLMJEOGG-UHFFFAOYSA-N 1 2 349.413 3.150 20 30 EGEDLO N#Cc1cc(F)cc(C[N@H+]2CCCn3cnc(Cn4cccc4)c3C2)c1 ZINC001139874627 1377969921 /nfs/dbraw/zinc/96/99/21/1377969921.db2.gz FTOLPSQLMJEOGG-UHFFFAOYSA-N 1 2 349.413 3.150 20 30 EGEDLO COC(=O)[C@@H]1C[N@H+](Cc2cccc(C#N)c2Cl)Cc2ccccc21 ZINC001140812554 1378148387 /nfs/dbraw/zinc/14/83/87/1378148387.db2.gz AOMYJQCVMNUONK-QGZVFWFLSA-N 1 2 340.810 3.484 20 30 EGEDLO COC(=O)[C@@H]1C[N@@H+](Cc2cccc(C#N)c2Cl)Cc2ccccc21 ZINC001140812554 1378148390 /nfs/dbraw/zinc/14/83/90/1378148390.db2.gz AOMYJQCVMNUONK-QGZVFWFLSA-N 1 2 340.810 3.484 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(F)cc1C#N ZINC001141164329 1378256144 /nfs/dbraw/zinc/25/61/44/1378256144.db2.gz XECPCYLHMOORDC-IRXDYDNUSA-N 1 2 345.418 3.281 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(F)cc1C#N ZINC001141164329 1378256148 /nfs/dbraw/zinc/25/61/48/1378256148.db2.gz XECPCYLHMOORDC-IRXDYDNUSA-N 1 2 345.418 3.281 20 30 EGEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ccc3cc(F)ccc3n2)CC1 ZINC001141651156 1378358217 /nfs/dbraw/zinc/35/82/17/1378358217.db2.gz YNQRLVJPKUEHPB-UHFFFAOYSA-N 1 2 341.386 3.043 20 30 EGEDLO COC(=O)c1cnc(C[N@H+](CCC#N)C2CCCCCCC2)cn1 ZINC001141828130 1378382630 /nfs/dbraw/zinc/38/26/30/1378382630.db2.gz JJYBVUDFAXAEDS-UHFFFAOYSA-N 1 2 330.432 3.092 20 30 EGEDLO COC(=O)c1cnc(C[N@@H+](CCC#N)C2CCCCCCC2)cn1 ZINC001141828130 1378382631 /nfs/dbraw/zinc/38/26/31/1378382631.db2.gz JJYBVUDFAXAEDS-UHFFFAOYSA-N 1 2 330.432 3.092 20 30 EGEDLO N#Cc1ccc(Br)cc1C[N@@H+]1CC[C@@]2(C1)CCCCO2 ZINC001141897048 1378391664 /nfs/dbraw/zinc/39/16/64/1378391664.db2.gz FYTCPNAADIHZOH-MRXNPFEDSA-N 1 2 335.245 3.466 20 30 EGEDLO N#Cc1ccc(Br)cc1C[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001141897048 1378391668 /nfs/dbraw/zinc/39/16/68/1378391668.db2.gz FYTCPNAADIHZOH-MRXNPFEDSA-N 1 2 335.245 3.466 20 30 EGEDLO CSc1nc(C[N@H+](C)Cc2cccc3c2OCO3)ccc1C#N ZINC001141945585 1378396586 /nfs/dbraw/zinc/39/65/86/1378396586.db2.gz FIXPQWIKNIDYCI-UHFFFAOYSA-N 1 2 327.409 3.036 20 30 EGEDLO CSc1nc(C[N@@H+](C)Cc2cccc3c2OCO3)ccc1C#N ZINC001141945585 1378396587 /nfs/dbraw/zinc/39/65/87/1378396587.db2.gz FIXPQWIKNIDYCI-UHFFFAOYSA-N 1 2 327.409 3.036 20 30 EGEDLO N#Cc1ccc(-c2csc(NC(=O)[C@H]3CC4CC[NH+]3CC4)n2)s1 ZINC001142629106 1378465828 /nfs/dbraw/zinc/46/58/28/1378465828.db2.gz OWDPEOYAOFSDLP-CYBMUJFWSA-N 1 2 344.465 3.166 20 30 EGEDLO N#Cc1ccc2c(CN3CC[C@H]([NH+]4CCCC4)C(F)(F)C3)c[nH]c2c1 ZINC001142929929 1378511931 /nfs/dbraw/zinc/51/19/31/1378511931.db2.gz GWLISAPTEZXUCX-SFHVURJKSA-N 1 2 344.409 3.345 20 30 EGEDLO N#Cc1ccc(F)c(CN2CCC(Oc3cc[nH+]cc3)CC2)c1F ZINC001143165249 1378552579 /nfs/dbraw/zinc/55/25/79/1378552579.db2.gz WNQWMDCJSMASHE-UHFFFAOYSA-N 1 2 329.350 3.275 20 30 EGEDLO Cc1cccc(O[C@H]2CC[N@H+](Cc3c(F)ccc(C#N)c3F)C2)n1 ZINC001143178548 1378554813 /nfs/dbraw/zinc/55/48/13/1378554813.db2.gz HKWMAIOFQCRQJL-AWEZNQCLSA-N 1 2 329.350 3.193 20 30 EGEDLO Cc1cccc(O[C@H]2CC[N@@H+](Cc3c(F)ccc(C#N)c3F)C2)n1 ZINC001143178548 1378554814 /nfs/dbraw/zinc/55/48/14/1378554814.db2.gz HKWMAIOFQCRQJL-AWEZNQCLSA-N 1 2 329.350 3.193 20 30 EGEDLO CCC[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001147250371 1378996969 /nfs/dbraw/zinc/99/69/69/1378996969.db2.gz JNVAFMMVZLYHJT-OAHLLOKOSA-N 1 2 343.446 3.168 20 30 EGEDLO CCC[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001147250371 1378996973 /nfs/dbraw/zinc/99/69/73/1378996973.db2.gz JNVAFMMVZLYHJT-OAHLLOKOSA-N 1 2 343.446 3.168 20 30 EGEDLO CCCCCCCCC(=O)NCC[NH2+]Cc1nn(C)cc1Cl ZINC001148721624 1379252302 /nfs/dbraw/zinc/25/23/02/1379252302.db2.gz HRLVYSNMFRYSBX-UHFFFAOYSA-N 1 2 328.888 3.030 20 30 EGEDLO CCCCCCCCCCC(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001148764036 1379264177 /nfs/dbraw/zinc/26/41/77/1379264177.db2.gz OPPRGWWFLJRXEY-UHFFFAOYSA-N 1 2 338.496 3.369 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](CC)CCCC)C1 ZINC001149263945 1379356195 /nfs/dbraw/zinc/35/61/95/1379356195.db2.gz PNKWAAPGURUILI-JKSUJKDBSA-N 1 2 330.900 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H](CC)CCCC)C1 ZINC001149263945 1379356198 /nfs/dbraw/zinc/35/61/98/1379356198.db2.gz PNKWAAPGURUILI-JKSUJKDBSA-N 1 2 330.900 3.162 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H](F)CCCCCC)C1 ZINC001150589025 1379574318 /nfs/dbraw/zinc/57/43/18/1379574318.db2.gz SJCXLMSOXOSYMQ-HZPDHXFCSA-N 1 2 348.890 3.255 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H](F)CCCCCC)C1 ZINC001150589025 1379574320 /nfs/dbraw/zinc/57/43/20/1379574320.db2.gz SJCXLMSOXOSYMQ-HZPDHXFCSA-N 1 2 348.890 3.255 20 30 EGEDLO C=CCCC(=O)NC1(CCOC)CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC001151014686 1379648810 /nfs/dbraw/zinc/64/88/10/1379648810.db2.gz WSHPMGGUQWAAQI-OWBHPGMISA-N 1 2 349.302 3.259 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC=CCC1 ZINC001151830489 1379789779 /nfs/dbraw/zinc/78/97/79/1379789779.db2.gz NKCPTPDPBVCYAI-KGLIPLIRSA-N 1 2 329.282 3.078 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC=CCC1 ZINC001151830489 1379789781 /nfs/dbraw/zinc/78/97/81/1379789781.db2.gz NKCPTPDPBVCYAI-KGLIPLIRSA-N 1 2 329.282 3.078 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@H]1CC=CCC1 ZINC001151829231 1379789860 /nfs/dbraw/zinc/78/98/60/1379789860.db2.gz DYOIIAYVKDITEX-CVEARBPZSA-N 1 2 343.446 3.380 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@H]1CC=CCC1 ZINC001151829231 1379789862 /nfs/dbraw/zinc/78/98/62/1379789862.db2.gz DYOIIAYVKDITEX-CVEARBPZSA-N 1 2 343.446 3.380 20 30 EGEDLO CCCCCCCC[C@@H](C)C(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001151848544 1379798594 /nfs/dbraw/zinc/79/85/94/1379798594.db2.gz PRNSGMUIDIHORI-MRXNPFEDSA-N 1 2 334.508 3.378 20 30 EGEDLO CCCCCCCC[C@H](C)C(=O)NCC[NH2+]Cc1nncs1 ZINC001151848777 1379799164 /nfs/dbraw/zinc/79/91/64/1379799164.db2.gz QNFCOJGTJULXRN-AWEZNQCLSA-N 1 2 326.510 3.131 20 30 EGEDLO C=CCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1nnc(-c2cccs2)o1 ZINC001152313485 1379906276 /nfs/dbraw/zinc/90/62/76/1379906276.db2.gz OBFUDKLSZCTKNB-CYBMUJFWSA-N 1 2 348.472 3.091 20 30 EGEDLO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nnc(-c2cccs2)o1 ZINC001152313485 1379906281 /nfs/dbraw/zinc/90/62/81/1379906281.db2.gz OBFUDKLSZCTKNB-CYBMUJFWSA-N 1 2 348.472 3.091 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1nc(-c2ccoc2)no1 ZINC001153641536 1380108838 /nfs/dbraw/zinc/10/88/38/1380108838.db2.gz ADZDZZMYENZVTF-CQSZACIVSA-N 1 2 346.431 3.013 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc(-c2ccoc2)no1 ZINC001153641536 1380108840 /nfs/dbraw/zinc/10/88/40/1380108840.db2.gz ADZDZZMYENZVTF-CQSZACIVSA-N 1 2 346.431 3.013 20 30 EGEDLO C=CCC1(C(=O)NCC[NH2+]Cc2nc(C3CCCC3)no2)CCCC1 ZINC001153809306 1380133743 /nfs/dbraw/zinc/13/37/43/1380133743.db2.gz IYIXMIAFNKEPFX-UHFFFAOYSA-N 1 2 346.475 3.070 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)C(C)(C)C ZINC001154025039 1380183191 /nfs/dbraw/zinc/18/31/91/1380183191.db2.gz FMCOKELUOICAES-OLZOCXBDSA-N 1 2 333.314 3.404 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)C(C)(C)C ZINC001154025039 1380183193 /nfs/dbraw/zinc/18/31/93/1380183193.db2.gz FMCOKELUOICAES-OLZOCXBDSA-N 1 2 333.314 3.404 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1nc2c(o1)CCCC2 ZINC001154743061 1380343963 /nfs/dbraw/zinc/34/39/63/1380343963.db2.gz RVWKQUQWVMIYIJ-JKSUJKDBSA-N 1 2 347.503 3.482 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc2c(o1)CCCC2 ZINC001154743061 1380343964 /nfs/dbraw/zinc/34/39/64/1380343964.db2.gz RVWKQUQWVMIYIJ-JKSUJKDBSA-N 1 2 347.503 3.482 20 30 EGEDLO C=C[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1nocc1C)c1ccccc1 ZINC001157052929 1380761769 /nfs/dbraw/zinc/76/17/69/1380761769.db2.gz HXGALGMYIKGSDP-AEFFLSMTSA-N 1 2 341.455 3.279 20 30 EGEDLO C=C[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nocc1C)c1ccccc1 ZINC001157052929 1380761773 /nfs/dbraw/zinc/76/17/73/1380761773.db2.gz HXGALGMYIKGSDP-AEFFLSMTSA-N 1 2 341.455 3.279 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2ncccn2)CCCCC1 ZINC001157058181 1380764814 /nfs/dbraw/zinc/76/48/14/1380764814.db2.gz ORGJHUZMIYBSIW-QGZVFWFLSA-N 1 2 344.503 3.330 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2ncccn2)CCCCC1 ZINC001157058181 1380764818 /nfs/dbraw/zinc/76/48/18/1380764818.db2.gz ORGJHUZMIYBSIW-QGZVFWFLSA-N 1 2 344.503 3.330 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2coc(C)n2)CCCCC1 ZINC001157236273 1380820407 /nfs/dbraw/zinc/82/04/07/1380820407.db2.gz WQCCQHFIAKFLMC-MRXNPFEDSA-N 1 2 345.487 3.283 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2coc(C)n2)CCCCC1 ZINC001157236273 1380820412 /nfs/dbraw/zinc/82/04/12/1380820412.db2.gz WQCCQHFIAKFLMC-MRXNPFEDSA-N 1 2 345.487 3.283 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)/C=C/C1CC1 ZINC001157755234 1381022072 /nfs/dbraw/zinc/02/20/72/1381022072.db2.gz OQHJGDDCMFTYJR-XVJNWHFHSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)/C=C/C1CC1 ZINC001157755234 1381022075 /nfs/dbraw/zinc/02/20/75/1381022075.db2.gz OQHJGDDCMFTYJR-XVJNWHFHSA-N 1 2 341.293 3.174 20 30 EGEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@@H](C)c1ncc(C)o1 ZINC001157884793 1381060027 /nfs/dbraw/zinc/06/00/27/1381060027.db2.gz IPTXKWQQHMNPTA-DLBZAZTESA-N 1 2 331.460 3.160 20 30 EGEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@@H](C)c1ncc(C)o1 ZINC001157884793 1381060032 /nfs/dbraw/zinc/06/00/32/1381060032.db2.gz IPTXKWQQHMNPTA-DLBZAZTESA-N 1 2 331.460 3.160 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@@H](C)c1nc(CC)no1 ZINC001158011546 1381102817 /nfs/dbraw/zinc/10/28/17/1381102817.db2.gz CGAKJSVBZIBYTH-JKSUJKDBSA-N 1 2 348.491 3.362 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@@H](C)c1nc(CC)no1 ZINC001158011546 1381102818 /nfs/dbraw/zinc/10/28/18/1381102818.db2.gz CGAKJSVBZIBYTH-JKSUJKDBSA-N 1 2 348.491 3.362 20 30 EGEDLO Cc1cc(O[C@H]2CCCN(c3[nH+]ccc4ccc(C#N)cc43)C2)ncn1 ZINC001158124355 1381134323 /nfs/dbraw/zinc/13/43/23/1381134323.db2.gz IPOVLPHBBHHNGT-KRWDZBQOSA-N 1 2 345.406 3.253 20 30 EGEDLO CC#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nccs1 ZINC001158350201 1381212842 /nfs/dbraw/zinc/21/28/42/1381212842.db2.gz NIJKTDUCUMIKKA-MRXNPFEDSA-N 1 2 333.501 3.150 20 30 EGEDLO CC#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nccs1 ZINC001158350201 1381212844 /nfs/dbraw/zinc/21/28/44/1381212844.db2.gz NIJKTDUCUMIKKA-MRXNPFEDSA-N 1 2 333.501 3.150 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cc(C)n(C)n1 ZINC001158370697 1381220958 /nfs/dbraw/zinc/22/09/58/1381220958.db2.gz ZOFRJAYDORYYOE-VQIMIIECSA-N 1 2 346.519 3.144 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cc(C)n(C)n1 ZINC001158370697 1381220960 /nfs/dbraw/zinc/22/09/60/1381220960.db2.gz ZOFRJAYDORYYOE-VQIMIIECSA-N 1 2 346.519 3.144 20 30 EGEDLO C#CCCCC(=O)NCCC1=CC[N@H+](Cc2csc(CC)n2)CC1 ZINC001159945642 1381945403 /nfs/dbraw/zinc/94/54/03/1381945403.db2.gz TZWPHWRMMIKKDX-UHFFFAOYSA-N 1 2 345.512 3.147 20 30 EGEDLO C#CCCCC(=O)NCCC1=CC[N@@H+](Cc2csc(CC)n2)CC1 ZINC001159945642 1381945405 /nfs/dbraw/zinc/94/54/05/1381945405.db2.gz TZWPHWRMMIKKDX-UHFFFAOYSA-N 1 2 345.512 3.147 20 30 EGEDLO Cc1cc(Nc2ccc(O[C@H]3CC[NH2+]CC3(F)F)cc2)cnc1C#N ZINC001160350718 1382079484 /nfs/dbraw/zinc/07/94/84/1382079484.db2.gz QBAXXZLSYXZILL-KRWDZBQOSA-N 1 2 344.365 3.381 20 30 EGEDLO N#Cc1ncccc1Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC001160351121 1382079757 /nfs/dbraw/zinc/07/97/57/1382079757.db2.gz ZXQRGTJBBHHGQZ-MRXNPFEDSA-N 1 2 330.338 3.073 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@@H+]([C@H](C)c2ncccn2)CC1 ZINC001161116238 1382304004 /nfs/dbraw/zinc/30/40/04/1382304004.db2.gz CCSLCFSSEHOKHV-UZLBHIALSA-N 1 2 342.487 3.278 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@H+]([C@H](C)c2ncccn2)CC1 ZINC001161116238 1382304007 /nfs/dbraw/zinc/30/40/07/1382304007.db2.gz CCSLCFSSEHOKHV-UZLBHIALSA-N 1 2 342.487 3.278 20 30 EGEDLO Cc1nc(NCCCn2cc[nH+]c2)c(C#N)c(C)c1Br ZINC001161684650 1382479738 /nfs/dbraw/zinc/47/97/38/1382479738.db2.gz HVSIRSUSGZRYRQ-UHFFFAOYSA-N 1 2 334.221 3.031 20 30 EGEDLO C=CCOC(=O)N1CCC2(CN(c3cc(C)[nH+]c(C(C)C)n3)C2)CC1 ZINC001163865090 1383131017 /nfs/dbraw/zinc/13/10/17/1383131017.db2.gz CBYHBIKAXWAQIX-UHFFFAOYSA-N 1 2 344.459 3.133 20 30 EGEDLO COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCc2cc(C#N)ccc2C1 ZINC001164485418 1383191893 /nfs/dbraw/zinc/19/18/93/1383191893.db2.gz ZJMKEYXETQXUIT-AATRIKPKSA-N 1 2 333.391 3.011 20 30 EGEDLO Cc1cc(Nc2ccc(N3CCc4sccc4C3)[nH+]c2)c(C#N)cn1 ZINC001306924773 1383921042 /nfs/dbraw/zinc/92/10/42/1383921042.db2.gz JBWFYCMQCWZWBQ-UHFFFAOYSA-N 1 2 347.447 3.446 20 30 EGEDLO COC(=O)c1ccc(C(=[NH2+])Nc2c(C)cc(Cl)cc2OC)cc1 ZINC001170985248 1384424156 /nfs/dbraw/zinc/42/41/56/1384424156.db2.gz OPCQPRCOSKIDQJ-UHFFFAOYSA-N 1 2 332.787 3.481 20 30 EGEDLO CCOCc1cnc2n1CC[N@H+]([C@@H](C)Cc1cccc(C#N)c1)[C@H]2C ZINC001171211596 1384469706 /nfs/dbraw/zinc/46/97/06/1384469706.db2.gz FNMBFBCPIWLUSU-HOTGVXAUSA-N 1 2 338.455 3.299 20 30 EGEDLO CCOCc1cnc2n1CC[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)[C@H]2C ZINC001171211596 1384469709 /nfs/dbraw/zinc/46/97/09/1384469709.db2.gz FNMBFBCPIWLUSU-HOTGVXAUSA-N 1 2 338.455 3.299 20 30 EGEDLO C[C@H](Cc1cccc(C#N)c1)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001171230680 1384474582 /nfs/dbraw/zinc/47/45/82/1384474582.db2.gz GBXRJEWEFMADHP-CRAIPNDOSA-N 1 2 333.426 3.295 20 30 EGEDLO C=CC[C@@](C)([NH2+][C@H]1CCc2c(Cl)ccc(OC)c2C1)C(=O)OC ZINC001171316731 1384493424 /nfs/dbraw/zinc/49/34/24/1384493424.db2.gz PVCJDFQOLMPLDU-KPZWWZAWSA-N 1 2 337.847 3.303 20 30 EGEDLO CC(C)(C)OC(=O)C1CCC([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001171924936 1384684769 /nfs/dbraw/zinc/68/47/69/1384684769.db2.gz XIXGMCYODWZOIT-ZALBZXLWSA-N 1 2 337.485 3.161 20 30 EGEDLO CC(C)(C)OC(=O)C1CCC([N@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001171924936 1384684773 /nfs/dbraw/zinc/68/47/73/1384684773.db2.gz XIXGMCYODWZOIT-ZALBZXLWSA-N 1 2 337.485 3.161 20 30 EGEDLO COC(=O)[C@@H](Cc1cccc(F)c1)[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172296179 1384762673 /nfs/dbraw/zinc/76/26/73/1384762673.db2.gz FYKIFKZDTCNLQT-AUUYWEPGSA-N 1 2 340.398 3.002 20 30 EGEDLO CCOCc1cnc2n1CC[N@H+]([C@@H](C)Cc1ccc(C#N)cc1)[C@@H]2C ZINC001172305806 1384764202 /nfs/dbraw/zinc/76/42/02/1384764202.db2.gz UOUAQWCAQSVHIA-JKSUJKDBSA-N 1 2 338.455 3.299 20 30 EGEDLO CCOCc1cnc2n1CC[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)[C@@H]2C ZINC001172305806 1384764206 /nfs/dbraw/zinc/76/42/06/1384764206.db2.gz UOUAQWCAQSVHIA-JKSUJKDBSA-N 1 2 338.455 3.299 20 30 EGEDLO CCOC(=O)[C@H]1c2ccc(OC)cc2CC[N@@H+]1[C@H](C)CCCC#N ZINC001172506079 1384806251 /nfs/dbraw/zinc/80/62/51/1384806251.db2.gz NBZWLMGUXJYJAQ-RDTXWAMCSA-N 1 2 330.428 3.240 20 30 EGEDLO CCOC(=O)[C@H]1c2ccc(OC)cc2CC[N@H+]1[C@H](C)CCCC#N ZINC001172506079 1384806259 /nfs/dbraw/zinc/80/62/59/1384806259.db2.gz NBZWLMGUXJYJAQ-RDTXWAMCSA-N 1 2 330.428 3.240 20 30 EGEDLO COC(=O)[C@@H]1CCC[C@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)C1 ZINC001172584901 1384815010 /nfs/dbraw/zinc/81/50/10/1384815010.db2.gz BTTQPXCLJXNMBM-SFYZADRCSA-N 1 2 339.251 3.141 20 30 EGEDLO N#Cc1cccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c1F ZINC001174431910 1385108166 /nfs/dbraw/zinc/10/81/66/1385108166.db2.gz GRQPZYWUITXBKN-UHFFFAOYSA-N 1 2 341.386 3.152 20 30 EGEDLO N#Cc1ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c(F)c1 ZINC001174431929 1385108288 /nfs/dbraw/zinc/10/82/88/1385108288.db2.gz HPLDYNFJQHWPLJ-UHFFFAOYSA-N 1 2 341.386 3.152 20 30 EGEDLO COC(=O)c1cc(C#N)ccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174523837 1385116567 /nfs/dbraw/zinc/11/65/67/1385116567.db2.gz UNKVFNTZUZACOR-UHFFFAOYSA-N 1 2 336.395 3.474 20 30 EGEDLO Cc1sccc1C(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1 ZINC001317553540 1385317093 /nfs/dbraw/zinc/31/70/93/1385317093.db2.gz ZSNWIGLAUNJVGM-UHFFFAOYSA-N 1 2 339.464 3.323 20 30 EGEDLO Cc1sccc1C(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1 ZINC001317553540 1385317096 /nfs/dbraw/zinc/31/70/96/1385317096.db2.gz ZSNWIGLAUNJVGM-UHFFFAOYSA-N 1 2 339.464 3.323 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C3(CC(C)C)CCCC3)C[C@@H]21 ZINC001177113316 1385817935 /nfs/dbraw/zinc/81/79/35/1385817935.db2.gz RYFBSPYYHQSPBY-RBUKOAKNSA-N 1 2 348.531 3.471 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(CC(C)C)CCCC3)C[C@@H]21 ZINC001177113316 1385817944 /nfs/dbraw/zinc/81/79/44/1385817944.db2.gz RYFBSPYYHQSPBY-RBUKOAKNSA-N 1 2 348.531 3.471 20 30 EGEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCCCCCCC)C[C@H]21 ZINC001177140288 1385830505 /nfs/dbraw/zinc/83/05/05/1385830505.db2.gz XWYDDJBPPOTHSZ-RTBURBONSA-N 1 2 334.504 3.062 20 30 EGEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCCCCCC)C[C@H]21 ZINC001177140288 1385830507 /nfs/dbraw/zinc/83/05/07/1385830507.db2.gz XWYDDJBPPOTHSZ-RTBURBONSA-N 1 2 334.504 3.062 20 30 EGEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177616508 1386007692 /nfs/dbraw/zinc/00/76/92/1386007692.db2.gz RFZFAIGTWKXVJR-MRXNPFEDSA-N 1 2 340.427 3.311 20 30 EGEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccco1 ZINC001177616508 1386007698 /nfs/dbraw/zinc/00/76/98/1386007698.db2.gz RFZFAIGTWKXVJR-MRXNPFEDSA-N 1 2 340.427 3.311 20 30 EGEDLO N#C[C@@H](Cc1cccs1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001177913062 1386081798 /nfs/dbraw/zinc/08/17/98/1386081798.db2.gz XKNPRAKCKLHWJN-OAHLLOKOSA-N 1 2 336.420 3.314 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[C@H](OCC)C(C)C)CC2 ZINC001319402611 1386105592 /nfs/dbraw/zinc/10/55/92/1386105592.db2.gz LIJXHEMQHTUAOA-INIZCTEOSA-N 1 2 342.911 3.115 20 30 EGEDLO O=C(C#Cc1ccc(F)cc1F)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001178569366 1386251313 /nfs/dbraw/zinc/25/13/13/1386251313.db2.gz YNPQLTHTLIVJQU-UHFFFAOYSA-N 1 2 337.329 3.200 20 30 EGEDLO N#CCCn1cc(CNc2cc3cc[nH]c3c[nH+]2)c(-c2ccncc2)n1 ZINC001179044443 1386387641 /nfs/dbraw/zinc/38/76/41/1386387641.db2.gz DXLGCJHPGWUJQR-UHFFFAOYSA-N 1 2 343.394 3.347 20 30 EGEDLO Cc1ccc(C#N)cc1C(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001336053455 1389001117 /nfs/dbraw/zinc/00/11/17/1389001117.db2.gz KPTALMQQXZZAKL-GOSISDBHSA-N 1 2 339.826 3.307 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C1(c2ccc(F)cc2)CCC1 ZINC001329500899 1389132861 /nfs/dbraw/zinc/13/28/61/1389132861.db2.gz NENIDGTZDRNNTK-AWEZNQCLSA-N 1 2 338.854 3.436 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C1(c2ccc(F)cc2)CCC1 ZINC001329500899 1389132864 /nfs/dbraw/zinc/13/28/64/1389132864.db2.gz NENIDGTZDRNNTK-AWEZNQCLSA-N 1 2 338.854 3.436 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001339530153 1390056969 /nfs/dbraw/zinc/05/69/69/1390056969.db2.gz XTDKKPLFWPPMCH-ZACQAIPSSA-N 1 2 329.492 3.390 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001339530153 1390056972 /nfs/dbraw/zinc/05/69/72/1390056972.db2.gz XTDKKPLFWPPMCH-ZACQAIPSSA-N 1 2 329.492 3.390 20 30 EGEDLO CCC(CC)CN(CC)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001339750555 1390129653 /nfs/dbraw/zinc/12/96/53/1390129653.db2.gz NCRRRHDGJJGUEM-UHFFFAOYSA-N 1 2 346.523 3.171 20 30 EGEDLO C=CCCC[C@@H]([NH3+])C(=O)Nc1ccccc1-c1nnc(C(C)C)[nH]1 ZINC001340604479 1390325824 /nfs/dbraw/zinc/32/58/24/1390325824.db2.gz IOYYCSPZJOPAFV-CQSZACIVSA-N 1 2 327.432 3.217 20 30 EGEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(CC)[C@H](C)CC ZINC001340628201 1390331896 /nfs/dbraw/zinc/33/18/96/1390331896.db2.gz WLYNBURKGGDQGJ-MRXNPFEDSA-N 1 2 344.507 3.182 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)CCC(F)(F)F ZINC001342225411 1390587569 /nfs/dbraw/zinc/58/75/69/1390587569.db2.gz PJMPPPAHSHRCNI-ZDUSSCGKSA-N 1 2 345.413 3.400 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)CCC(F)(F)F ZINC001342225411 1390587570 /nfs/dbraw/zinc/58/75/70/1390587570.db2.gz PJMPPPAHSHRCNI-ZDUSSCGKSA-N 1 2 345.413 3.400 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1ccoc1 ZINC001342330897 1390601846 /nfs/dbraw/zinc/60/18/46/1390601846.db2.gz WWMZAXFSKRKVCB-MRXNPFEDSA-N 1 2 329.448 3.240 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)Cc1ccoc1 ZINC001342330897 1390601848 /nfs/dbraw/zinc/60/18/48/1390601848.db2.gz WWMZAXFSKRKVCB-MRXNPFEDSA-N 1 2 329.448 3.240 20 30 EGEDLO N#Cc1ccc(COC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)nc1 ZINC001343340587 1390708284 /nfs/dbraw/zinc/70/82/84/1390708284.db2.gz YGVCJMWHTVUSNM-IBGZPJMESA-N 1 2 335.407 3.051 20 30 EGEDLO N#Cc1ccc(COC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)nc1 ZINC001343340587 1390708285 /nfs/dbraw/zinc/70/82/85/1390708285.db2.gz YGVCJMWHTVUSNM-IBGZPJMESA-N 1 2 335.407 3.051 20 30 EGEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)C1CCCCC1 ZINC001351543404 1391650380 /nfs/dbraw/zinc/65/03/80/1391650380.db2.gz FLINVTRDODWVRQ-QGZVFWFLSA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)C1CCCCC1 ZINC001351543404 1391650393 /nfs/dbraw/zinc/65/03/93/1391650393.db2.gz FLINVTRDODWVRQ-QGZVFWFLSA-N 1 2 347.507 3.015 20 30 EGEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)C1(CF)CCC1 ZINC001479964207 1392499876 /nfs/dbraw/zinc/49/98/76/1392499876.db2.gz PHUDHAZVMHENET-KRWDZBQOSA-N 1 2 348.849 3.022 20 30 EGEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)C1(CF)CCC1 ZINC001479964207 1392499877 /nfs/dbraw/zinc/49/98/77/1392499877.db2.gz PHUDHAZVMHENET-KRWDZBQOSA-N 1 2 348.849 3.022 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)CCCC2CC2)C1 ZINC001480732088 1392895114 /nfs/dbraw/zinc/89/51/14/1392895114.db2.gz ADVHGPHGNQLIHA-HNNXBMFYSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)CCCC2CC2)C1 ZINC001480732088 1392895118 /nfs/dbraw/zinc/89/51/18/1392895118.db2.gz ADVHGPHGNQLIHA-HNNXBMFYSA-N 1 2 343.309 3.398 20 30 EGEDLO CCc1ccc([C@H](C)C(=O)NCC[N@H+](C)Cc2ccccc2C#N)cc1 ZINC001480924812 1393023159 /nfs/dbraw/zinc/02/31/59/1393023159.db2.gz YYQVUCDDQYUAQL-KRWDZBQOSA-N 1 2 349.478 3.472 20 30 EGEDLO CCc1ccc([C@H](C)C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)cc1 ZINC001480924812 1393023164 /nfs/dbraw/zinc/02/31/64/1393023164.db2.gz YYQVUCDDQYUAQL-KRWDZBQOSA-N 1 2 349.478 3.472 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)CCC)C1 ZINC001481740013 1394486494 /nfs/dbraw/zinc/48/64/94/1394486494.db2.gz JGEKFTFLVQDWIU-ZDUSSCGKSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)CCC)C1 ZINC001481740013 1394486495 /nfs/dbraw/zinc/48/64/95/1394486495.db2.gz JGEKFTFLVQDWIU-ZDUSSCGKSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cnoc1-c1ccccc1 ZINC001485372439 1395850901 /nfs/dbraw/zinc/85/09/01/1395850901.db2.gz VZEDABMCCHCLBE-CYBMUJFWSA-N 1 2 333.819 3.144 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cnoc1-c1ccccc1 ZINC001485372439 1395850904 /nfs/dbraw/zinc/85/09/04/1395850904.db2.gz VZEDABMCCHCLBE-CYBMUJFWSA-N 1 2 333.819 3.144 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCCc2ccccn2)[C@H]1C ZINC001486184569 1396180876 /nfs/dbraw/zinc/18/08/76/1396180876.db2.gz WHXNYBYRGLVWLB-WBVHZDCISA-N 1 2 335.879 3.126 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCCc2ccccn2)[C@H]1C ZINC001486184569 1396180877 /nfs/dbraw/zinc/18/08/77/1396180877.db2.gz WHXNYBYRGLVWLB-WBVHZDCISA-N 1 2 335.879 3.126 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)CCCC2CC2)C1 ZINC001494843511 1396499587 /nfs/dbraw/zinc/49/95/87/1396499587.db2.gz NNQWFKYJFCCBDO-AWEZNQCLSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)CCCC2CC2)C1 ZINC001494843511 1396499591 /nfs/dbraw/zinc/49/95/91/1396499591.db2.gz NNQWFKYJFCCBDO-AWEZNQCLSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)CCc2ccncc2)C1 ZINC001691856104 1405572502 /nfs/dbraw/zinc/57/25/02/1405572502.db2.gz FBUDVCJTVOTISR-KRWDZBQOSA-N 1 2 335.879 3.080 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)CCc2ccncc2)C1 ZINC001691856104 1405572506 /nfs/dbraw/zinc/57/25/06/1405572506.db2.gz FBUDVCJTVOTISR-KRWDZBQOSA-N 1 2 335.879 3.080 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CCCc2ccsc2)C1 ZINC001732162831 1428405264 /nfs/dbraw/zinc/40/52/64/1428405264.db2.gz MNFKXGPYYDOEPT-HNNXBMFYSA-N 1 2 326.893 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CCCc2ccsc2)C1 ZINC001732162831 1428405266 /nfs/dbraw/zinc/40/52/66/1428405266.db2.gz MNFKXGPYYDOEPT-HNNXBMFYSA-N 1 2 326.893 3.356 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)CC2(C)CC2)C1 ZINC001732188454 1428439417 /nfs/dbraw/zinc/43/94/17/1428439417.db2.gz YNORYDLSPUNMIZ-ZDUSSCGKSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)CC2(C)CC2)C1 ZINC001732188454 1428439418 /nfs/dbraw/zinc/43/94/18/1428439418.db2.gz YNORYDLSPUNMIZ-ZDUSSCGKSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCOc1ccc(C)cc1C ZINC001699443605 1412774862 /nfs/dbraw/zinc/77/48/62/1412774862.db2.gz FKJBJUKTIRGOQG-MRXNPFEDSA-N 1 2 338.879 3.261 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCOc1ccc(C)cc1C ZINC001699443605 1412774865 /nfs/dbraw/zinc/77/48/65/1412774865.db2.gz FKJBJUKTIRGOQG-MRXNPFEDSA-N 1 2 338.879 3.261 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(C2CCCCC2)n[nH]1 ZINC001699446153 1412779633 /nfs/dbraw/zinc/77/96/33/1412779633.db2.gz KOYWNQYGYPPLHX-CYBMUJFWSA-N 1 2 338.883 3.260 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(C2CCCCC2)n[nH]1 ZINC001699446153 1412779638 /nfs/dbraw/zinc/77/96/38/1412779638.db2.gz KOYWNQYGYPPLHX-CYBMUJFWSA-N 1 2 338.883 3.260 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cc(C)oc1C(F)(F)F ZINC001699464572 1412827574 /nfs/dbraw/zinc/82/75/74/1412827574.db2.gz SIKKGSZNXGLUNS-VIFPVBQESA-N 1 2 338.757 3.409 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cc(C)oc1C(F)(F)F ZINC001699464572 1412827577 /nfs/dbraw/zinc/82/75/77/1412827577.db2.gz SIKKGSZNXGLUNS-VIFPVBQESA-N 1 2 338.757 3.409 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnc(-c2ccco2)s1 ZINC001700483736 1414125835 /nfs/dbraw/zinc/12/58/35/1414125835.db2.gz SARWOGCADUJSLC-NSHDSACASA-N 1 2 339.848 3.206 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnc(-c2ccco2)s1 ZINC001700483736 1414125839 /nfs/dbraw/zinc/12/58/39/1414125839.db2.gz SARWOGCADUJSLC-NSHDSACASA-N 1 2 339.848 3.206 20 30 EGEDLO CCc1occc1C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001732580336 1428785744 /nfs/dbraw/zinc/78/57/44/1428785744.db2.gz LFKCREYPBREPOK-UHFFFAOYSA-N 1 2 343.402 3.057 20 30 EGEDLO CCc1occc1C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001732580336 1428785745 /nfs/dbraw/zinc/78/57/45/1428785745.db2.gz LFKCREYPBREPOK-UHFFFAOYSA-N 1 2 343.402 3.057 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1cccc2c1CCC2 ZINC001732599858 1428845975 /nfs/dbraw/zinc/84/59/75/1428845975.db2.gz GDOXFGUPTNZBLA-UHFFFAOYSA-N 1 2 347.462 3.251 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1cccc2c1CCC2 ZINC001732599858 1428845977 /nfs/dbraw/zinc/84/59/77/1428845977.db2.gz GDOXFGUPTNZBLA-UHFFFAOYSA-N 1 2 347.462 3.251 20 30 EGEDLO C=C(Cl)C[N@H+](C)CC1CCN(C(=O)c2cccc3n[nH]cc32)CC1 ZINC001713765506 1418578227 /nfs/dbraw/zinc/57/82/27/1418578227.db2.gz RDLYRCWQGCNHBJ-UHFFFAOYSA-N 1 2 346.862 3.099 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)c2cccc3n[nH]cc32)CC1 ZINC001713765506 1418578228 /nfs/dbraw/zinc/57/82/28/1418578228.db2.gz RDLYRCWQGCNHBJ-UHFFFAOYSA-N 1 2 346.862 3.099 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001713792281 1418610333 /nfs/dbraw/zinc/61/03/33/1418610333.db2.gz XFENYJILDZWETP-QGZVFWFLSA-N 1 2 343.446 3.380 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001713792281 1418610334 /nfs/dbraw/zinc/61/03/34/1418610334.db2.gz XFENYJILDZWETP-QGZVFWFLSA-N 1 2 343.446 3.380 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cn(C(C)C)cn2)C1 ZINC001714872627 1419604077 /nfs/dbraw/zinc/60/40/77/1419604077.db2.gz UTUSJPFOJNRPDH-OAHLLOKOSA-N 1 2 338.883 3.143 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cn(C(C)C)cn2)C1 ZINC001714872627 1419604087 /nfs/dbraw/zinc/60/40/87/1419604087.db2.gz UTUSJPFOJNRPDH-OAHLLOKOSA-N 1 2 338.883 3.143 20 30 EGEDLO CCC1(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)CCCC1 ZINC001733230194 1429361788 /nfs/dbraw/zinc/36/17/88/1429361788.db2.gz QLXHSYHVEGSFQY-AWEZNQCLSA-N 1 2 331.485 3.281 20 30 EGEDLO CCC1(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)CCCC1 ZINC001733230194 1429361792 /nfs/dbraw/zinc/36/17/92/1429361792.db2.gz QLXHSYHVEGSFQY-AWEZNQCLSA-N 1 2 331.485 3.281 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cc(-c2ccccc2)no1 ZINC001716027939 1420485137 /nfs/dbraw/zinc/48/51/37/1420485137.db2.gz BOBOWKFLOZHAHZ-ZDUSSCGKSA-N 1 2 333.819 3.144 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cc(-c2ccccc2)no1 ZINC001716027939 1420485140 /nfs/dbraw/zinc/48/51/40/1420485140.db2.gz BOBOWKFLOZHAHZ-ZDUSSCGKSA-N 1 2 333.819 3.144 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1sc(C)nc1CC(C)C ZINC001717479928 1421414880 /nfs/dbraw/zinc/41/48/80/1421414880.db2.gz VJFGZSNSILRYAI-LBPRGKRZSA-N 1 2 343.924 3.453 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1sc(C)nc1CC(C)C ZINC001717479928 1421414882 /nfs/dbraw/zinc/41/48/82/1421414882.db2.gz VJFGZSNSILRYAI-LBPRGKRZSA-N 1 2 343.924 3.453 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCc2cccs2)[C@H]1C ZINC001717860176 1421672617 /nfs/dbraw/zinc/67/26/17/1421672617.db2.gz IBDHCGSZTLGHAC-HIFRSBDPSA-N 1 2 326.893 3.402 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCc2cccs2)[C@H]1C ZINC001717860176 1421672615 /nfs/dbraw/zinc/67/26/15/1421672615.db2.gz IBDHCGSZTLGHAC-HIFRSBDPSA-N 1 2 326.893 3.402 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCc1cccc(F)c1F ZINC001725200304 1425757080 /nfs/dbraw/zinc/75/70/80/1425757080.db2.gz GHYXNPYFPMDHDE-LBPRGKRZSA-N 1 2 330.806 3.086 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCc1cccc(F)c1F ZINC001725200304 1425757082 /nfs/dbraw/zinc/75/70/82/1425757082.db2.gz GHYXNPYFPMDHDE-LBPRGKRZSA-N 1 2 330.806 3.086 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H](NC(=O)CCC2CCC2)[C@@H]1C ZINC001725628149 1426294772 /nfs/dbraw/zinc/29/47/72/1426294772.db2.gz OBUUONZEBVCKKE-ZFWWWQNUSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)CCC2CCC2)[C@@H]1C ZINC001725628149 1426294775 /nfs/dbraw/zinc/29/47/75/1426294775.db2.gz OBUUONZEBVCKKE-ZFWWWQNUSA-N 1 2 343.309 3.444 20 30 EGEDLO C[N@H+](CCNC(=O)CC1CCCCC1)Cc1cc(C#N)ccc1F ZINC001731763635 1427869613 /nfs/dbraw/zinc/86/96/13/1427869613.db2.gz TYNPZWKYEJCRSM-UHFFFAOYSA-N 1 2 331.435 3.216 20 30 EGEDLO C[N@@H+](CCNC(=O)CC1CCCCC1)Cc1cc(C#N)ccc1F ZINC001731763635 1427869619 /nfs/dbraw/zinc/86/96/19/1427869619.db2.gz TYNPZWKYEJCRSM-UHFFFAOYSA-N 1 2 331.435 3.216 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCNC(=O)C[C@@H]1CC=CCC1 ZINC001752044204 1440135136 /nfs/dbraw/zinc/13/51/36/1440135136.db2.gz PAIZGUDZIAEHMF-CQSZACIVSA-N 1 2 329.282 3.080 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCNC(=O)C[C@@H]1CC=CCC1 ZINC001752044204 1440135138 /nfs/dbraw/zinc/13/51/38/1440135138.db2.gz PAIZGUDZIAEHMF-CQSZACIVSA-N 1 2 329.282 3.080 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1CCC[N@H+](Cc2nc(C(C)(C)C)no2)C1 ZINC001752784004 1440210040 /nfs/dbraw/zinc/21/00/40/1440210040.db2.gz TVLOZHLHWWRLRK-OAHLLOKOSA-N 1 2 348.491 3.052 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1CCC[N@@H+](Cc2nc(C(C)(C)C)no2)C1 ZINC001752784004 1440210041 /nfs/dbraw/zinc/21/00/41/1440210041.db2.gz TVLOZHLHWWRLRK-OAHLLOKOSA-N 1 2 348.491 3.052 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)c2nc(C3CC3)no2)C1 ZINC001752784727 1440210500 /nfs/dbraw/zinc/21/05/00/1440210500.db2.gz IHUSSPXKDYEMFF-UONOGXRCSA-N 1 2 346.475 3.048 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@H+]([C@@H](C)c2nc(C3CC3)no2)C1 ZINC001752784727 1440210501 /nfs/dbraw/zinc/21/05/01/1440210501.db2.gz IHUSSPXKDYEMFF-UONOGXRCSA-N 1 2 346.475 3.048 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1cnsn1 ZINC001753033575 1440273704 /nfs/dbraw/zinc/27/37/04/1440273704.db2.gz OVPWPTOFANGHQK-RDJZCZTQSA-N 1 2 336.505 3.001 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC[C@H]1CCC[N@H+]1Cc1cnsn1 ZINC001753033575 1440273705 /nfs/dbraw/zinc/27/37/05/1440273705.db2.gz OVPWPTOFANGHQK-RDJZCZTQSA-N 1 2 336.505 3.001 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(-c2ccccc2)ccn1 ZINC001753068618 1440286658 /nfs/dbraw/zinc/28/66/58/1440286658.db2.gz MCVIVWUMMVOJMF-UHFFFAOYSA-N 1 2 329.831 3.163 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(-c2ccccc2)ccn1 ZINC001753068618 1440286659 /nfs/dbraw/zinc/28/66/59/1440286659.db2.gz MCVIVWUMMVOJMF-UHFFFAOYSA-N 1 2 329.831 3.163 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccc2nccc(C)c2c1 ZINC001753083108 1440294882 /nfs/dbraw/zinc/29/48/82/1440294882.db2.gz XXLDDSKOBHMQHJ-UHFFFAOYSA-N 1 2 331.847 3.347 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccc2nccc(C)c2c1 ZINC001753083108 1440294883 /nfs/dbraw/zinc/29/48/83/1440294883.db2.gz XXLDDSKOBHMQHJ-UHFFFAOYSA-N 1 2 331.847 3.347 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1sc(C)nc1CC(C)C ZINC001753084193 1440295311 /nfs/dbraw/zinc/29/53/11/1440295311.db2.gz GQPQCEXNRZPHIX-UHFFFAOYSA-N 1 2 343.924 3.454 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1sc(C)nc1CC(C)C ZINC001753084193 1440295312 /nfs/dbraw/zinc/29/53/12/1440295312.db2.gz GQPQCEXNRZPHIX-UHFFFAOYSA-N 1 2 343.924 3.454 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CCc1c[nH]c2ccccc12 ZINC001753093590 1440300886 /nfs/dbraw/zinc/30/08/86/1440300886.db2.gz BIQDBJQZFCOQEH-UHFFFAOYSA-N 1 2 333.863 3.291 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CCc1c[nH]c2ccccc12 ZINC001753093590 1440300887 /nfs/dbraw/zinc/30/08/87/1440300887.db2.gz BIQDBJQZFCOQEH-UHFFFAOYSA-N 1 2 333.863 3.291 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1cccc(Cl)n1 ZINC001753108594 1440307299 /nfs/dbraw/zinc/30/72/99/1440307299.db2.gz NPBCVRZNEQHKCM-OAHLLOKOSA-N 1 2 335.879 3.418 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[N@H+]1Cc1cccc(Cl)n1 ZINC001753108594 1440307300 /nfs/dbraw/zinc/30/73/00/1440307300.db2.gz NPBCVRZNEQHKCM-OAHLLOKOSA-N 1 2 335.879 3.418 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1nc2c(o1)CCCC2 ZINC001753111378 1440308772 /nfs/dbraw/zinc/30/87/72/1440308772.db2.gz HRMLROJSAVOSAG-MGPUTAFESA-N 1 2 345.487 3.236 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC[N@H+]1Cc1nc2c(o1)CCCC2 ZINC001753111378 1440308773 /nfs/dbraw/zinc/30/87/73/1440308773.db2.gz HRMLROJSAVOSAG-MGPUTAFESA-N 1 2 345.487 3.236 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)C1(CCC)CC1 ZINC001753111778 1440308869 /nfs/dbraw/zinc/30/88/69/1440308869.db2.gz ORBQXDKYCSMVHD-ZDUSSCGKSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)C1(CCC)CC1 ZINC001753111778 1440308868 /nfs/dbraw/zinc/30/88/68/1440308868.db2.gz ORBQXDKYCSMVHD-ZDUSSCGKSA-N 1 2 329.282 3.056 20 30 EGEDLO CCC1(C(=O)NC[C@H]2CCC[N@@H+]2CC#Cc2ccccc2Cl)CC1 ZINC001753112000 1440309095 /nfs/dbraw/zinc/30/90/95/1440309095.db2.gz UARONMZVINVXBP-QGZVFWFLSA-N 1 2 344.886 3.462 20 30 EGEDLO CCC1(C(=O)NC[C@H]2CCC[N@H+]2CC#Cc2ccccc2Cl)CC1 ZINC001753112000 1440309096 /nfs/dbraw/zinc/30/90/96/1440309096.db2.gz UARONMZVINVXBP-QGZVFWFLSA-N 1 2 344.886 3.462 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@@H]1CC[N@H+](Cc2cc(Cl)sc2Cl)C1 ZINC001753124857 1440314894 /nfs/dbraw/zinc/31/48/94/1440314894.db2.gz IJYSLSXFMKSXJR-ZJUUUORDSA-N 1 2 346.283 3.153 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@@H]1CC[N@@H+](Cc2cc(Cl)sc2Cl)C1 ZINC001753124857 1440314895 /nfs/dbraw/zinc/31/48/95/1440314895.db2.gz IJYSLSXFMKSXJR-ZJUUUORDSA-N 1 2 346.283 3.153 20 30 EGEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)C(C)(C)C1CC1 ZINC001753146630 1440324634 /nfs/dbraw/zinc/32/46/34/1440324634.db2.gz BVCITBUUNIXVJE-UHFFFAOYSA-N 1 2 331.298 3.159 20 30 EGEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)C(C)(C)C1CC1 ZINC001753146630 1440324635 /nfs/dbraw/zinc/32/46/35/1440324635.db2.gz BVCITBUUNIXVJE-UHFFFAOYSA-N 1 2 331.298 3.159 20 30 EGEDLO CC(C)[C@@H]1C[C@H]1C(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001753162179 1440334668 /nfs/dbraw/zinc/33/46/68/1440334668.db2.gz YQNXZUSYJAFWLW-ZWKOTPCHSA-N 1 2 343.446 3.070 20 30 EGEDLO CC(C)[C@@H]1C[C@H]1C(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001753162179 1440334669 /nfs/dbraw/zinc/33/46/69/1440334669.db2.gz YQNXZUSYJAFWLW-ZWKOTPCHSA-N 1 2 343.446 3.070 20 30 EGEDLO CC1(C(=O)NC[C@@H]([NH2+]Cc2ccccc2C#N)c2ccccc2)CC1 ZINC001753299428 1440353433 /nfs/dbraw/zinc/35/34/33/1440353433.db2.gz WJVKEYGMSKVQAK-LJQANCHMSA-N 1 2 333.435 3.305 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)NC1C[NH+](Cc2ccc3ccccc3c2)C1 ZINC001753372095 1440387137 /nfs/dbraw/zinc/38/71/37/1440387137.db2.gz FPZMMIGITCAQPT-INIZCTEOSA-N 1 2 338.451 3.121 20 30 EGEDLO C[C@H]1CCCC[C@H]1CC(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001753415683 1440394206 /nfs/dbraw/zinc/39/42/06/1440394206.db2.gz JUUAUMNUBAZMBX-WMZOPIPTSA-N 1 2 339.483 3.323 20 30 EGEDLO C=CCC1(C(=O)NCC2C[NH+]([C@H](C)c3cnc(C)cn3)C2)CCCC1 ZINC001753415539 1440394236 /nfs/dbraw/zinc/39/42/36/1440394236.db2.gz FLVJGAIMZLUDHJ-MRXNPFEDSA-N 1 2 342.487 3.031 20 30 EGEDLO C[C@H](C#N)C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC001753433272 1440399178 /nfs/dbraw/zinc/39/91/78/1440399178.db2.gz FPXJUSLADMPNJV-RISCZKNCSA-N 1 2 340.254 3.186 20 30 EGEDLO C[C@H](C#N)C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC001753433272 1440399179 /nfs/dbraw/zinc/39/91/79/1440399179.db2.gz FPXJUSLADMPNJV-RISCZKNCSA-N 1 2 340.254 3.186 20 30 EGEDLO CN(C(=O)CCC1(C)CC1)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001753446831 1440404361 /nfs/dbraw/zinc/40/43/61/1440404361.db2.gz NXAJHWBTVVMYEU-SFHVURJKSA-N 1 2 343.446 3.310 20 30 EGEDLO CN(C(=O)CCC1(C)CC1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001753446831 1440404362 /nfs/dbraw/zinc/40/43/62/1440404362.db2.gz NXAJHWBTVVMYEU-SFHVURJKSA-N 1 2 343.446 3.310 20 30 EGEDLO C#CCCCC(=O)N(CC)[C@H]1CC[N@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC001753455298 1440408053 /nfs/dbraw/zinc/40/80/53/1440408053.db2.gz ILDDGMSSJRUJCN-INIZCTEOSA-N 1 2 345.487 3.198 20 30 EGEDLO C#CCCCC(=O)N(CC)[C@H]1CC[N@@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC001753455298 1440408054 /nfs/dbraw/zinc/40/80/54/1440408054.db2.gz ILDDGMSSJRUJCN-INIZCTEOSA-N 1 2 345.487 3.198 20 30 EGEDLO C=CCC1(C(=O)N(C)[C@H](C)C[NH2+][C@H](C)c2nc(C)no2)CCCC1 ZINC001753730603 1440475818 /nfs/dbraw/zinc/47/58/18/1440475818.db2.gz BBYXIPXOCATMCB-ZIAGYGMSSA-N 1 2 334.464 3.012 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc(OC)cc1Cl ZINC001754337986 1440587394 /nfs/dbraw/zinc/58/73/94/1440587394.db2.gz OLHTWACRPDEBIB-NSHDSACASA-N 1 2 331.243 3.151 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(OC)cc1Cl ZINC001754337986 1440587395 /nfs/dbraw/zinc/58/73/95/1440587395.db2.gz OLHTWACRPDEBIB-NSHDSACASA-N 1 2 331.243 3.151 20 30 EGEDLO C#CCN(C(=O)CCCCCC)C1CC[NH+](Cc2cc(C)on2)CC1 ZINC001754642693 1440649263 /nfs/dbraw/zinc/64/92/63/1440649263.db2.gz VJXGOGRFAHIAIE-UHFFFAOYSA-N 1 2 345.487 3.380 20 30 EGEDLO CCC[C@@H](C)C(=O)N[C@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001754668782 1440657424 /nfs/dbraw/zinc/65/74/24/1440657424.db2.gz RZFCAOCUXCMPNY-AUUYWEPGSA-N 1 2 331.435 3.214 20 30 EGEDLO CCC[C@@H](C)C(=O)N[C@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001754668782 1440657425 /nfs/dbraw/zinc/65/74/25/1440657425.db2.gz RZFCAOCUXCMPNY-AUUYWEPGSA-N 1 2 331.435 3.214 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@]1(C)CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC001754669995 1440657735 /nfs/dbraw/zinc/65/77/35/1440657735.db2.gz JTXMKROSPMONJH-LJQANCHMSA-N 1 2 334.410 3.095 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@]1(C)CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001754669995 1440657736 /nfs/dbraw/zinc/65/77/36/1440657736.db2.gz JTXMKROSPMONJH-LJQANCHMSA-N 1 2 334.410 3.095 20 30 EGEDLO C=CCCCC(=O)NC[C@]1(C)CCC[N@@H+]([C@H](C)c2nc(CC)no2)C1 ZINC001754729615 1440678422 /nfs/dbraw/zinc/67/84/22/1440678422.db2.gz NQJNCYFCVGBHKG-BEFAXECRSA-N 1 2 348.491 3.268 20 30 EGEDLO C=CCCCC(=O)NC[C@]1(C)CCC[N@H+]([C@H](C)c2nc(CC)no2)C1 ZINC001754729615 1440678423 /nfs/dbraw/zinc/67/84/23/1440678423.db2.gz NQJNCYFCVGBHKG-BEFAXECRSA-N 1 2 348.491 3.268 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@]2(CC[N@@H+]([C@@H](C)c3csnn3)C2)C1 ZINC001755078004 1440749733 /nfs/dbraw/zinc/74/97/33/1440749733.db2.gz GYCXZCFSOYJOAS-MAUKXSAKSA-N 1 2 348.516 3.270 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@]2(CC[N@H+]([C@@H](C)c3csnn3)C2)C1 ZINC001755078004 1440749734 /nfs/dbraw/zinc/74/97/34/1440749734.db2.gz GYCXZCFSOYJOAS-MAUKXSAKSA-N 1 2 348.516 3.270 20 30 EGEDLO C#CCCCCC(=O)NCc1ccc2c(c1)C[N@@H+](Cc1cccnc1)C2 ZINC001755100665 1440752119 /nfs/dbraw/zinc/75/21/19/1440752119.db2.gz CCBQDOIXYGRFSQ-UHFFFAOYSA-N 1 2 347.462 3.407 20 30 EGEDLO C#CCCCCC(=O)NCc1ccc2c(c1)C[N@H+](Cc1cccnc1)C2 ZINC001755100665 1440752120 /nfs/dbraw/zinc/75/21/20/1440752120.db2.gz CCBQDOIXYGRFSQ-UHFFFAOYSA-N 1 2 347.462 3.407 20 30 EGEDLO CC(C)C(=O)NC[C@H]1c2ccccc2CC[N@H+]1CC#Cc1ccccc1 ZINC001755171735 1440769068 /nfs/dbraw/zinc/76/90/68/1440769068.db2.gz CCHQRUNNKGWEAA-QFIPXVFZSA-N 1 2 346.474 3.410 20 30 EGEDLO CC(C)C(=O)NC[C@H]1c2ccccc2CC[N@@H+]1CC#Cc1ccccc1 ZINC001755171735 1440769069 /nfs/dbraw/zinc/76/90/69/1440769069.db2.gz CCHQRUNNKGWEAA-QFIPXVFZSA-N 1 2 346.474 3.410 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cn(CC)c2ccccc12 ZINC001755307688 1440811824 /nfs/dbraw/zinc/81/18/24/1440811824.db2.gz LGNPJINSJXBUCC-CQSZACIVSA-N 1 2 333.863 3.464 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cn(CC)c2ccccc12 ZINC001755307688 1440811825 /nfs/dbraw/zinc/81/18/25/1440811825.db2.gz LGNPJINSJXBUCC-CQSZACIVSA-N 1 2 333.863 3.464 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H](C)C1C[NH+](Cc2nc(C)sc2C)C1 ZINC001755385833 1440840526 /nfs/dbraw/zinc/84/05/26/1440840526.db2.gz DPUKROVTCQWIHJ-GFCCVEGCSA-N 1 2 335.517 3.299 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2coc3cc(C)ccc23)C1 ZINC001755390140 1440841719 /nfs/dbraw/zinc/84/17/19/1440841719.db2.gz LMCOSBFKWNZEMZ-CQSZACIVSA-N 1 2 346.858 3.473 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[N@H+](Cc2ccc(Cl)nc2)CC1(C)C ZINC001755409838 1440845823 /nfs/dbraw/zinc/84/58/23/1440845823.db2.gz GFUWVINWILCDNJ-AWEZNQCLSA-N 1 2 335.879 3.274 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[N@@H+](Cc2ccc(Cl)nc2)CC1(C)C ZINC001755409838 1440845824 /nfs/dbraw/zinc/84/58/24/1440845824.db2.gz GFUWVINWILCDNJ-AWEZNQCLSA-N 1 2 335.879 3.274 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[N@@H+]([C@@H](C)c2ncc(C)o2)CC1(C)C ZINC001755410361 1440845999 /nfs/dbraw/zinc/84/59/99/1440845999.db2.gz PQUNPKSCVDECOM-GJZGRUSLSA-N 1 2 333.476 3.473 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[N@H+]([C@@H](C)c2ncc(C)o2)CC1(C)C ZINC001755410361 1440846000 /nfs/dbraw/zinc/84/60/00/1440846000.db2.gz PQUNPKSCVDECOM-GJZGRUSLSA-N 1 2 333.476 3.473 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC2(C(F)(F)F)CC2)C(C)(C)C1 ZINC001755412666 1440847148 /nfs/dbraw/zinc/84/71/48/1440847148.db2.gz POATWKMNRSJTFO-LLVKDONJSA-N 1 2 338.801 3.298 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC2(C(F)(F)F)CC2)C(C)(C)C1 ZINC001755412666 1440847149 /nfs/dbraw/zinc/84/71/49/1440847149.db2.gz POATWKMNRSJTFO-LLVKDONJSA-N 1 2 338.801 3.298 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC[C@H]2CC(C)(C)CO2)C(C)(C)C1 ZINC001755417118 1440849348 /nfs/dbraw/zinc/84/93/48/1440849348.db2.gz YZQROWWGYNIUDZ-LSDHHAIUSA-N 1 2 342.911 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CC(C)(C)CO2)C(C)(C)C1 ZINC001755417118 1440849349 /nfs/dbraw/zinc/84/93/49/1440849349.db2.gz YZQROWWGYNIUDZ-LSDHHAIUSA-N 1 2 342.911 3.161 20 30 EGEDLO C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001755456358 1440855592 /nfs/dbraw/zinc/85/55/92/1440855592.db2.gz SYSVSODDIPCAMZ-CHWSQXEVSA-N 1 2 336.373 3.166 20 30 EGEDLO C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001755456358 1440855593 /nfs/dbraw/zinc/85/55/93/1440855593.db2.gz SYSVSODDIPCAMZ-CHWSQXEVSA-N 1 2 336.373 3.166 20 30 EGEDLO C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001755456358 1440855594 /nfs/dbraw/zinc/85/55/94/1440855594.db2.gz SYSVSODDIPCAMZ-CHWSQXEVSA-N 1 2 336.373 3.166 20 30 EGEDLO C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001755456358 1440855595 /nfs/dbraw/zinc/85/55/95/1440855595.db2.gz SYSVSODDIPCAMZ-CHWSQXEVSA-N 1 2 336.373 3.166 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@H]([NH2+]Cc2nnc(C(C)(C)C)o2)C[C@@H]1C ZINC001755674061 1440894267 /nfs/dbraw/zinc/89/42/67/1440894267.db2.gz CRGPNIXKNUMNPZ-UONOGXRCSA-N 1 2 348.491 3.048 20 30 EGEDLO C[C@@H]1[C@H](NC(=O)C#CC(C)(C)C)CCC[N@@H+]1Cc1c(F)cccc1F ZINC001755716922 1440905353 /nfs/dbraw/zinc/90/53/53/1440905353.db2.gz COUXWCYWXJJVJX-RDTXWAMCSA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@@H]1[C@H](NC(=O)C#CC(C)(C)C)CCC[N@H+]1Cc1c(F)cccc1F ZINC001755716922 1440905354 /nfs/dbraw/zinc/90/53/54/1440905354.db2.gz COUXWCYWXJJVJX-RDTXWAMCSA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CCC[N@@H+]1CC=C(Cl)Cl ZINC001755718664 1440906382 /nfs/dbraw/zinc/90/63/82/1440906382.db2.gz OFKPJKOMFQOZRO-OLZOCXBDSA-N 1 2 331.287 3.324 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CCC[N@H+]1CC=C(Cl)Cl ZINC001755718664 1440906383 /nfs/dbraw/zinc/90/63/83/1440906383.db2.gz OFKPJKOMFQOZRO-OLZOCXBDSA-N 1 2 331.287 3.324 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CCC[N@H+](Cc2cccc(F)c2F)[C@@H]1C ZINC001755719211 1440906491 /nfs/dbraw/zinc/90/64/91/1440906491.db2.gz VYHLVSZUAFULOY-PBHICJAKSA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)[C@@H]1C ZINC001755719211 1440906492 /nfs/dbraw/zinc/90/64/92/1440906492.db2.gz VYHLVSZUAFULOY-PBHICJAKSA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)N(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@@H]1C[C@@H]1C ZINC001755809879 1440919521 /nfs/dbraw/zinc/91/95/21/1440919521.db2.gz PCKKWMGIUGCGKY-WMLDXEAASA-N 1 2 331.435 3.022 20 30 EGEDLO CC(C)N(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@@H]1C[C@@H]1C ZINC001755809879 1440919522 /nfs/dbraw/zinc/91/95/22/1440919522.db2.gz PCKKWMGIUGCGKY-WMLDXEAASA-N 1 2 331.435 3.022 20 30 EGEDLO C=C(C)C[NH2+]C[C@H](NC(=O)Cc1cccc2cnccc21)C(C)(C)C ZINC001755826483 1440927525 /nfs/dbraw/zinc/92/75/25/1440927525.db2.gz RCLLPJOTAWYESC-IBGZPJMESA-N 1 2 339.483 3.474 20 30 EGEDLO C=CC[NH+]1CCN(C(F)(F)c2c[nH]c3nc(Cl)ccc23)CC1 ZINC001165031353 721866870 /nfs/dbraw/zinc/86/68/70/721866870.db2.gz FMBVNAFVTAMDJZ-UHFFFAOYSA-N 1 2 326.778 3.069 20 30 EGEDLO C=CC[NH+]1CCN(C(F)(F)c2ccc(SC)c(Cl)n2)CC1 ZINC001165031476 721867803 /nfs/dbraw/zinc/86/78/03/721867803.db2.gz LEWVHQNOJMLWLB-UHFFFAOYSA-N 1 2 333.835 3.310 20 30 EGEDLO CN(C)c1[nH+]cccc1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000171844090 529814945 /nfs/dbraw/zinc/81/49/45/529814945.db2.gz OUYIIRYDXHZLOX-UHFFFAOYSA-N 1 2 338.411 3.207 20 30 EGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCSCC1 ZINC000103468014 219303496 /nfs/dbraw/zinc/30/34/96/219303496.db2.gz INDQFUJBWVVLBB-LBPRGKRZSA-N 1 2 349.525 3.264 20 30 EGEDLO N#Cc1c(Cl)nsc1N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000069622829 215502432 /nfs/dbraw/zinc/50/24/32/215502432.db2.gz QKBVFTOBCHAFPM-CQSZACIVSA-N 1 2 348.859 3.154 20 30 EGEDLO C[C@H]1CCN(C(=O)Nc2ccc(F)cc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000131461053 223234256 /nfs/dbraw/zinc/23/42/56/223234256.db2.gz KPYUZHMWGSLNGH-LRDDRELGSA-N 1 2 327.363 3.009 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCC3CCCC3)CC2)cc1 ZINC000023079569 212347082 /nfs/dbraw/zinc/34/70/82/212347082.db2.gz LAMQLXPPAXAGHW-UHFFFAOYSA-N 1 2 325.456 3.173 20 30 EGEDLO CCc1nc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cs1 ZINC000265207556 247298697 /nfs/dbraw/zinc/29/86/97/247298697.db2.gz QUYQUMDYOPVADE-SWLSCSKDSA-N 1 2 340.452 3.033 20 30 EGEDLO N#Cc1ccc(C2=CCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)cc1 ZINC000377278453 169005856 /nfs/dbraw/zinc/00/58/56/169005856.db2.gz PUODPAQHLLJVAL-UHFFFAOYSA-N 1 2 328.375 3.135 20 30 EGEDLO COc1c(C)c[nH+]c(CN(C)c2ccc([N+](=O)[O-])c(C#N)c2)c1C ZINC000183992342 533412560 /nfs/dbraw/zinc/41/25/60/533412560.db2.gz KOLFUKLKLKFVGE-UHFFFAOYSA-N 1 2 326.356 3.123 20 30 EGEDLO N#Cc1cccc(C2([NH2+]Cc3csc(-c4ncccn4)n3)CC2)c1 ZINC000341236718 141141988 /nfs/dbraw/zinc/14/19/88/141141988.db2.gz JLNVXLIENGQMTE-UHFFFAOYSA-N 1 2 333.420 3.251 20 30 EGEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccccc1Oc1ccccc1C#N ZINC000350558462 141253321 /nfs/dbraw/zinc/25/33/21/141253321.db2.gz BPXMCUPAWJRVGU-OAHLLOKOSA-N 1 2 346.390 3.366 20 30 EGEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCc2c(sc3ncnc(N)c23)C1 ZINC000363833333 144369572 /nfs/dbraw/zinc/36/95/72/144369572.db2.gz XIEFLCKSIRLCEF-NSHDSACASA-N 1 2 335.436 3.264 20 30 EGEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCc2c(sc3ncnc(N)c23)C1 ZINC000363833333 144369574 /nfs/dbraw/zinc/36/95/74/144369574.db2.gz XIEFLCKSIRLCEF-NSHDSACASA-N 1 2 335.436 3.264 20 30 EGEDLO N#Cc1ccccc1OCC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000345215325 156000362 /nfs/dbraw/zinc/00/03/62/156000362.db2.gz RSYUZYSSTFHAMD-IBGZPJMESA-N 1 2 326.371 3.150 20 30 EGEDLO N#Cc1ccccc1OCC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000345215325 156000373 /nfs/dbraw/zinc/00/03/73/156000373.db2.gz RSYUZYSSTFHAMD-IBGZPJMESA-N 1 2 326.371 3.150 20 30 EGEDLO C[C@H](c1cnn(C)c1)[N@H+](C)Cc1ccc(Br)cc1C#N ZINC000346972222 156224892 /nfs/dbraw/zinc/22/48/92/156224892.db2.gz SEUKVAPCLANSLM-LLVKDONJSA-N 1 2 333.233 3.247 20 30 EGEDLO C[C@H](c1cnn(C)c1)[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000346972222 156224896 /nfs/dbraw/zinc/22/48/96/156224896.db2.gz SEUKVAPCLANSLM-LLVKDONJSA-N 1 2 333.233 3.247 20 30 EGEDLO Cc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)Nc1ccc(C#N)cc1)CCC2 ZINC000111311100 162150978 /nfs/dbraw/zinc/15/09/78/162150978.db2.gz LHLFKWAMIUJLMP-INIZCTEOSA-N 1 2 340.452 3.271 20 30 EGEDLO Cc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)Nc1ccc(C#N)cc1)CCC2 ZINC000111311100 162150980 /nfs/dbraw/zinc/15/09/80/162150980.db2.gz LHLFKWAMIUJLMP-INIZCTEOSA-N 1 2 340.452 3.271 20 30 EGEDLO COc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1C#N ZINC000125017238 162261993 /nfs/dbraw/zinc/26/19/93/162261993.db2.gz KDUSSYXEHOGTIW-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO CC(C)[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cccnc1 ZINC000125706723 162285154 /nfs/dbraw/zinc/28/51/54/162285154.db2.gz WMIXPOGQTTWMDS-UHFFFAOYSA-N 1 2 342.830 3.456 20 30 EGEDLO CC(C)[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cccnc1 ZINC000125706723 162285156 /nfs/dbraw/zinc/28/51/56/162285156.db2.gz WMIXPOGQTTWMDS-UHFFFAOYSA-N 1 2 342.830 3.456 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248683536 163027970 /nfs/dbraw/zinc/02/79/70/163027970.db2.gz GLYOXEVFVIXDGF-BTYIYWSLSA-N 1 2 347.418 3.017 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248683536 163027973 /nfs/dbraw/zinc/02/79/73/163027973.db2.gz GLYOXEVFVIXDGF-BTYIYWSLSA-N 1 2 347.418 3.017 20 30 EGEDLO CC[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1c(C)noc1C ZINC000348281232 164693020 /nfs/dbraw/zinc/69/30/20/164693020.db2.gz KURJYKIJPALTRM-HNNXBMFYSA-N 1 2 337.383 3.454 20 30 EGEDLO Cc1cn(-c2cccc(NCc3c[nH+]c4ccc(C#N)cn34)c2)c(=O)[nH]1 ZINC000355569124 166246885 /nfs/dbraw/zinc/24/68/85/166246885.db2.gz QEWMOHJBTIYBLD-UHFFFAOYSA-N 1 2 344.378 3.018 20 30 EGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(Cl)cc1Cl ZINC000157966394 224923369 /nfs/dbraw/zinc/92/33/69/224923369.db2.gz XJXOWPXCTMZPDN-UHFFFAOYSA-N 1 2 342.270 3.041 20 30 EGEDLO Cc1ccnc(-c2noc(C[NH2+]C3(c4cccc(C#N)c4)CC3)n2)c1 ZINC000295093929 270042711 /nfs/dbraw/zinc/04/27/11/270042711.db2.gz ZSESLMSMELKKGB-UHFFFAOYSA-N 1 2 331.379 3.091 20 30 EGEDLO Cc1c(C#N)c(NCc2ccc(N3CCCC3)[nH+]c2)nc2ccccc12 ZINC000450247613 270052751 /nfs/dbraw/zinc/05/27/51/270052751.db2.gz NZDQKMQGFKTSMJ-UHFFFAOYSA-N 1 2 343.434 3.444 20 30 EGEDLO N#Cc1ccc(/C=C\C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000493374669 270058618 /nfs/dbraw/zinc/05/86/18/270058618.db2.gz XIAJBGXBBPJESJ-KTKRTIGZSA-N 1 2 342.402 3.133 20 30 EGEDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1cc(C#N)cs1 ZINC000179603772 266105807 /nfs/dbraw/zinc/10/58/07/266105807.db2.gz LGOPPBXYFXBPQC-UHFFFAOYSA-N 1 2 329.425 3.089 20 30 EGEDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1cc(C#N)cs1 ZINC000179603772 266105809 /nfs/dbraw/zinc/10/58/09/266105809.db2.gz LGOPPBXYFXBPQC-UHFFFAOYSA-N 1 2 329.425 3.089 20 30 EGEDLO C[C@H](c1cccs1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000267049981 266276333 /nfs/dbraw/zinc/27/63/33/266276333.db2.gz FZPLJLBTABGVSR-CYBMUJFWSA-N 1 2 334.466 3.086 20 30 EGEDLO C[C@H](c1cccs1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000267049981 266276336 /nfs/dbraw/zinc/27/63/36/266276336.db2.gz FZPLJLBTABGVSR-CYBMUJFWSA-N 1 2 334.466 3.086 20 30 EGEDLO CCS[C@@H](C)c1noc(C[N@H+](C)CCOc2cccc(C#N)c2)n1 ZINC000178453837 266345835 /nfs/dbraw/zinc/34/58/35/266345835.db2.gz LOXNTTKFFQMTPN-ZDUSSCGKSA-N 1 2 346.456 3.266 20 30 EGEDLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCOc2cccc(C#N)c2)n1 ZINC000178453837 266345840 /nfs/dbraw/zinc/34/58/40/266345840.db2.gz LOXNTTKFFQMTPN-ZDUSSCGKSA-N 1 2 346.456 3.266 20 30 EGEDLO CCS[C@H](C)c1noc(C[N@H+](C)CCOc2ccccc2C#N)n1 ZINC000178449638 266347686 /nfs/dbraw/zinc/34/76/86/266347686.db2.gz YWSNJPKHAUPFDR-CYBMUJFWSA-N 1 2 346.456 3.266 20 30 EGEDLO CCS[C@H](C)c1noc(C[N@@H+](C)CCOc2ccccc2C#N)n1 ZINC000178449638 266347688 /nfs/dbraw/zinc/34/76/88/266347688.db2.gz YWSNJPKHAUPFDR-CYBMUJFWSA-N 1 2 346.456 3.266 20 30 EGEDLO COc1ccccc1C[NH+]1CCN(c2cc(C(C)=O)ccc2C#N)CC1 ZINC000273238662 267003436 /nfs/dbraw/zinc/00/34/36/267003436.db2.gz TUAZBVLQLOIWPL-UHFFFAOYSA-N 1 2 349.434 3.092 20 30 EGEDLO CC[N@H+](Cc1nnnn1Cc1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000516616516 267072247 /nfs/dbraw/zinc/07/22/47/267072247.db2.gz BINZRFMFKFEMIO-INIZCTEOSA-N 1 2 346.438 3.176 20 30 EGEDLO CC[N@@H+](Cc1nnnn1Cc1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000516616516 267072248 /nfs/dbraw/zinc/07/22/48/267072248.db2.gz BINZRFMFKFEMIO-INIZCTEOSA-N 1 2 346.438 3.176 20 30 EGEDLO C[C@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccc(C#N)cc1 ZINC000186435518 267185714 /nfs/dbraw/zinc/18/57/14/267185714.db2.gz CWWKHMHMRQFRBI-AWEZNQCLSA-N 1 2 333.395 3.106 20 30 EGEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000454572691 267258966 /nfs/dbraw/zinc/25/89/66/267258966.db2.gz GIRSTEIOBUTJLO-ZDUSSCGKSA-N 1 2 341.415 3.445 20 30 EGEDLO C[NH+](C)Cc1csc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)n1 ZINC000457319917 267283346 /nfs/dbraw/zinc/28/33/46/267283346.db2.gz YPEXOJNBCZMBHC-UHFFFAOYSA-N 1 2 346.431 3.132 20 30 EGEDLO CN(Cc1ccc(C#N)cc1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431914974 267313690 /nfs/dbraw/zinc/31/36/90/267313690.db2.gz XGSDKEMEQUMDAU-UHFFFAOYSA-N 1 2 344.418 3.004 20 30 EGEDLO N#Cc1ccnc(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1Cl ZINC000450537771 268195725 /nfs/dbraw/zinc/19/57/25/268195725.db2.gz XKGIFHYDCIHOIQ-HDJSIYSDSA-N 1 2 327.819 3.259 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000263744279 289383091 /nfs/dbraw/zinc/38/30/91/289383091.db2.gz RQGDFEJQNVPQIN-FOIQADDNSA-N 1 2 349.434 3.131 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000263744279 289383093 /nfs/dbraw/zinc/38/30/93/289383093.db2.gz RQGDFEJQNVPQIN-FOIQADDNSA-N 1 2 349.434 3.131 20 30 EGEDLO Cn1cc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c(C(C)(C)C)n1 ZINC000371415393 294236916 /nfs/dbraw/zinc/23/69/16/294236916.db2.gz BYRWBNAPNKDDHM-GOSISDBHSA-N 1 2 338.455 3.163 20 30 EGEDLO Cn1cc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c(C(C)(C)C)n1 ZINC000371415393 294236918 /nfs/dbraw/zinc/23/69/18/294236918.db2.gz BYRWBNAPNKDDHM-GOSISDBHSA-N 1 2 338.455 3.163 20 30 EGEDLO C[C@H]([NH2+]CCOc1ccccc1C#N)c1noc(Cc2ccccc2)n1 ZINC000542623185 314563266 /nfs/dbraw/zinc/56/32/66/314563266.db2.gz QHJQYOMVKLDSHY-HNNXBMFYSA-N 1 2 348.406 3.262 20 30 EGEDLO C[C@@](O)(C1CC[NH+](Cc2ccc(C#N)cc2F)CC1)C(F)(F)F ZINC000545932566 314793848 /nfs/dbraw/zinc/79/38/48/314793848.db2.gz OMXTWYVBYACPIP-OAHLLOKOSA-N 1 2 330.325 3.223 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000565695769 316357252 /nfs/dbraw/zinc/35/72/52/316357252.db2.gz XBTCNVFKZRMDRF-OAHLLOKOSA-N 1 2 332.407 3.070 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC=C(c2ccccn2)C1 ZINC000565695769 316357256 /nfs/dbraw/zinc/35/72/56/316357256.db2.gz XBTCNVFKZRMDRF-OAHLLOKOSA-N 1 2 332.407 3.070 20 30 EGEDLO CC[C@@]([NH2+]CCCSCC#N)(C(=O)OC)c1ccc(Cl)cc1 ZINC000285598975 455877895 /nfs/dbraw/zinc/87/78/95/455877895.db2.gz PKKBDIFOUCCAAH-INIZCTEOSA-N 1 2 340.876 3.355 20 30 EGEDLO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000171629387 323243777 /nfs/dbraw/zinc/24/37/77/323243777.db2.gz CEAQBWRZWITTSV-CQSZACIVSA-N 1 2 332.407 3.378 20 30 EGEDLO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000171629387 323243781 /nfs/dbraw/zinc/24/37/81/323243781.db2.gz CEAQBWRZWITTSV-CQSZACIVSA-N 1 2 332.407 3.378 20 30 EGEDLO Cc1cc2ccccc2[nH+]c1N1CCN(c2ccc(C#N)cn2)CC1 ZINC000178433437 323356292 /nfs/dbraw/zinc/35/62/92/323356292.db2.gz HQXPYOIKRPVZJW-UHFFFAOYSA-N 1 2 329.407 3.137 20 30 EGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000355701273 457404188 /nfs/dbraw/zinc/40/41/88/457404188.db2.gz HPEMHXGLKOUBID-STQMWFEESA-N 1 2 342.892 3.073 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000355701273 457404194 /nfs/dbraw/zinc/40/41/94/457404194.db2.gz HPEMHXGLKOUBID-STQMWFEESA-N 1 2 342.892 3.073 20 30 EGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000264544165 455233777 /nfs/dbraw/zinc/23/37/77/455233777.db2.gz NMSYEPPPNVXNFO-KBPBESRZSA-N 1 2 343.456 3.345 20 30 EGEDLO C[C@@H]1CN(c2ccc(CNc3cc(Cl)ccc3C#N)c[nH+]2)CCO1 ZINC000264611283 455248507 /nfs/dbraw/zinc/24/85/07/455248507.db2.gz FOGWFUWNONBEPI-CYBMUJFWSA-N 1 2 342.830 3.444 20 30 EGEDLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162040 460555741 /nfs/dbraw/zinc/55/57/41/460555741.db2.gz JJOLETIEVQGWEU-UGSOOPFHSA-N 1 2 335.398 3.110 20 30 EGEDLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162040 460555747 /nfs/dbraw/zinc/55/57/47/460555747.db2.gz JJOLETIEVQGWEU-UGSOOPFHSA-N 1 2 335.398 3.110 20 30 EGEDLO C[C@@]1(C#N)CCC[N@H+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000612164722 460556962 /nfs/dbraw/zinc/55/69/62/460556962.db2.gz GFNNTXBSYGMJGX-ZBFHGGJFSA-N 1 2 342.361 3.071 20 30 EGEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000612164722 460556969 /nfs/dbraw/zinc/55/69/69/460556969.db2.gz GFNNTXBSYGMJGX-ZBFHGGJFSA-N 1 2 342.361 3.071 20 30 EGEDLO C=CC[NH+](CC=C)CC(=O)Nc1sc(C)c(C)c1C(=O)OCC ZINC000001930763 452681228 /nfs/dbraw/zinc/68/12/28/452681228.db2.gz UITPIAKPNBYBDY-UHFFFAOYSA-N 1 2 336.457 3.154 20 30 EGEDLO C=CC[C@@H](C)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000265416434 455321760 /nfs/dbraw/zinc/32/17/60/455321760.db2.gz INBHAQHLXHTASU-IUODEOHRSA-N 1 2 332.835 3.427 20 30 EGEDLO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000007039214 453021824 /nfs/dbraw/zinc/02/18/24/453021824.db2.gz QBKQRXIEPPHSIF-KRWDZBQOSA-N 1 2 342.830 3.326 20 30 EGEDLO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000007039214 453021835 /nfs/dbraw/zinc/02/18/35/453021835.db2.gz QBKQRXIEPPHSIF-KRWDZBQOSA-N 1 2 342.830 3.326 20 30 EGEDLO N#CCCSc1nnc(C[NH+]2CCCCC2)n1Cc1ccccc1 ZINC000022702511 453697100 /nfs/dbraw/zinc/69/71/00/453697100.db2.gz ZKHKCGWAZMCVSF-UHFFFAOYSA-N 1 2 341.484 3.318 20 30 EGEDLO N#Cc1ccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000024691131 453742472 /nfs/dbraw/zinc/74/24/72/453742472.db2.gz IEFIJQNRWDNKEB-UHFFFAOYSA-N 1 2 345.406 3.167 20 30 EGEDLO C[N@H+](CC(=O)Nc1ccc(F)c(Cl)c1)Cc1cccc(C#N)c1 ZINC000026323139 453796186 /nfs/dbraw/zinc/79/61/86/453796186.db2.gz DAMQVMMZTMHWSL-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO C[N@@H+](CC(=O)Nc1ccc(F)c(Cl)c1)Cc1cccc(C#N)c1 ZINC000026323139 453796187 /nfs/dbraw/zinc/79/61/87/453796187.db2.gz DAMQVMMZTMHWSL-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO C=CCNC(=O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000052798032 453844721 /nfs/dbraw/zinc/84/47/21/453844721.db2.gz LGWBKCXFJFPFIZ-UHFFFAOYSA-N 1 2 337.398 3.002 20 30 EGEDLO C=CCNC(=O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000052798032 453844724 /nfs/dbraw/zinc/84/47/24/453844724.db2.gz LGWBKCXFJFPFIZ-UHFFFAOYSA-N 1 2 337.398 3.002 20 30 EGEDLO N#CCC[N@@H+](CCC(=O)N1CCc2sccc2C1)Cc1ccco1 ZINC000081518108 453880834 /nfs/dbraw/zinc/88/08/34/453880834.db2.gz OXGVSLGYKQKWRW-UHFFFAOYSA-N 1 2 343.452 3.032 20 30 EGEDLO N#CCC[N@H+](CCC(=O)N1CCc2sccc2C1)Cc1ccco1 ZINC000081518108 453880836 /nfs/dbraw/zinc/88/08/36/453880836.db2.gz OXGVSLGYKQKWRW-UHFFFAOYSA-N 1 2 343.452 3.032 20 30 EGEDLO CC(C)c1nc(CO[NH+]=C(N)c2cccc(C(F)(F)F)c2)no1 ZINC000067097916 453902572 /nfs/dbraw/zinc/90/25/72/453902572.db2.gz MTVSLYWEWCEQSG-UHFFFAOYSA-N 1 2 328.294 3.049 20 30 EGEDLO C[N@H+](CCOc1ccc(C#N)cc1)Cc1nccn1Cc1ccccc1 ZINC000075915129 453939140 /nfs/dbraw/zinc/93/91/40/453939140.db2.gz FRUOOBXKOMAVEU-UHFFFAOYSA-N 1 2 346.434 3.314 20 30 EGEDLO C[N@@H+](CCOc1ccc(C#N)cc1)Cc1nccn1Cc1ccccc1 ZINC000075915129 453939141 /nfs/dbraw/zinc/93/91/41/453939141.db2.gz FRUOOBXKOMAVEU-UHFFFAOYSA-N 1 2 346.434 3.314 20 30 EGEDLO C[N@H+](Cc1ccc(F)c(F)c1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000083133815 453939304 /nfs/dbraw/zinc/93/93/04/453939304.db2.gz PPKVSFKLOSOHIG-HNNXBMFYSA-N 1 2 347.390 3.135 20 30 EGEDLO C[N@@H+](Cc1ccc(F)c(F)c1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000083133815 453939307 /nfs/dbraw/zinc/93/93/07/453939307.db2.gz PPKVSFKLOSOHIG-HNNXBMFYSA-N 1 2 347.390 3.135 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000083171042 453941654 /nfs/dbraw/zinc/94/16/54/453941654.db2.gz KGSIEPZSICZZBG-QFBILLFUSA-N 1 2 338.382 3.401 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000083171042 453941657 /nfs/dbraw/zinc/94/16/57/453941657.db2.gz KGSIEPZSICZZBG-QFBILLFUSA-N 1 2 338.382 3.401 20 30 EGEDLO C=C(C)CN(CC)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000083751481 453958993 /nfs/dbraw/zinc/95/89/93/453958993.db2.gz TWFXCNUIFDWKAV-UHFFFAOYSA-N 1 2 326.444 3.233 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(C#N)cs1)c1ccc(F)cc1 ZINC000084072753 453967587 /nfs/dbraw/zinc/96/75/87/453967587.db2.gz ZURYMJPMZMYOJC-HNNXBMFYSA-N 1 2 340.383 3.012 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000084116393 453970767 /nfs/dbraw/zinc/97/07/67/453970767.db2.gz UJAGMHDKSWDNIX-GOSISDBHSA-N 1 2 340.471 3.135 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000084116393 453970772 /nfs/dbraw/zinc/97/07/72/453970772.db2.gz UJAGMHDKSWDNIX-GOSISDBHSA-N 1 2 340.471 3.135 20 30 EGEDLO C=C(Cl)CNC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000077018157 454061057 /nfs/dbraw/zinc/06/10/57/454061057.db2.gz WTJPTHFXXOEDFE-UHFFFAOYSA-N 1 2 345.830 3.026 20 30 EGEDLO N#Cc1nnc2ccccc2c1NCCCc1[nH]c2ccccc2[nH+]1 ZINC000077188152 454072465 /nfs/dbraw/zinc/07/24/65/454072465.db2.gz DDGHSSFZSKJEJG-UHFFFAOYSA-N 1 2 328.379 3.422 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438198 454101131 /nfs/dbraw/zinc/10/11/31/454101131.db2.gz YIMCTOOSTGDEJA-GFCCVEGCSA-N 1 2 329.350 3.295 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438198 454101135 /nfs/dbraw/zinc/10/11/35/454101135.db2.gz YIMCTOOSTGDEJA-GFCCVEGCSA-N 1 2 329.350 3.295 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(C#N)CC1 ZINC000057880583 454154890 /nfs/dbraw/zinc/15/48/90/454154890.db2.gz MOQLDECRJQQMLA-LLVKDONJSA-N 1 2 336.233 3.012 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(C#N)CC1 ZINC000057906942 454156409 /nfs/dbraw/zinc/15/64/09/454156409.db2.gz QLADAEAFTSZDGJ-NSHDSACASA-N 1 2 341.333 3.148 20 30 EGEDLO COCC[N@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000130173454 454178288 /nfs/dbraw/zinc/17/82/88/454178288.db2.gz OEAWQLCTHVVUED-UHFFFAOYSA-N 1 2 346.434 3.393 20 30 EGEDLO COCC[N@@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000130173454 454178295 /nfs/dbraw/zinc/17/82/95/454178295.db2.gz OEAWQLCTHVVUED-UHFFFAOYSA-N 1 2 346.434 3.393 20 30 EGEDLO CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000130240284 454183617 /nfs/dbraw/zinc/18/36/17/454183617.db2.gz VRKBZMABNRDMJM-INIZCTEOSA-N 1 2 326.400 3.185 20 30 EGEDLO CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000130240284 454183621 /nfs/dbraw/zinc/18/36/21/454183621.db2.gz VRKBZMABNRDMJM-INIZCTEOSA-N 1 2 326.400 3.185 20 30 EGEDLO N#CCc1ccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000078248217 454215838 /nfs/dbraw/zinc/21/58/38/454215838.db2.gz QCEXCKQTRWPZBK-UHFFFAOYSA-N 1 2 340.452 3.164 20 30 EGEDLO C=CC1CC[NH+](Cc2nc3cc(S(=O)(=O)CC)ccc3o2)CC1 ZINC000131111181 454235499 /nfs/dbraw/zinc/23/54/99/454235499.db2.gz MYWUJWGDSOXANF-UHFFFAOYSA-N 1 2 334.441 3.019 20 30 EGEDLO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc(C#N)cc1 ZINC000046526403 454260631 /nfs/dbraw/zinc/26/06/31/454260631.db2.gz ASJOPPZABCKVFD-UHFFFAOYSA-N 1 2 349.350 3.148 20 30 EGEDLO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc(C#N)cc1 ZINC000046526403 454260637 /nfs/dbraw/zinc/26/06/37/454260637.db2.gz ASJOPPZABCKVFD-UHFFFAOYSA-N 1 2 349.350 3.148 20 30 EGEDLO CC[C@H](C#N)NC(=O)c1cccc(OCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000060342114 454278752 /nfs/dbraw/zinc/27/87/52/454278752.db2.gz LTXNOTOOQCNUBN-MRXNPFEDSA-N 1 2 348.406 3.254 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(OCC)CC1 ZINC000060493282 454294872 /nfs/dbraw/zinc/29/48/72/454294872.db2.gz FIPKNOGMTHZPMQ-UHFFFAOYSA-N 1 2 334.485 3.404 20 30 EGEDLO COc1cc(C#N)ccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000120567853 454321072 /nfs/dbraw/zinc/32/10/72/454321072.db2.gz UYZXKRKPHQEZDR-UHFFFAOYSA-N 1 2 338.407 3.142 20 30 EGEDLO COc1cc(C#N)ccc1C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000120567853 454321078 /nfs/dbraw/zinc/32/10/78/454321078.db2.gz UYZXKRKPHQEZDR-UHFFFAOYSA-N 1 2 338.407 3.142 20 30 EGEDLO N#C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1Cl ZINC000132273086 454326157 /nfs/dbraw/zinc/32/61/57/454326157.db2.gz RAXJWMKHILTKRN-ZWNOBZJWSA-N 1 2 349.221 3.133 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(=O)n2c(C)csc2n1 ZINC000072692774 454329085 /nfs/dbraw/zinc/32/90/85/454329085.db2.gz DLTQLKBBIHCCHV-UHFFFAOYSA-N 1 2 332.473 3.216 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(=O)n2c(C)csc2n1 ZINC000072692774 454329089 /nfs/dbraw/zinc/32/90/89/454329089.db2.gz DLTQLKBBIHCCHV-UHFFFAOYSA-N 1 2 332.473 3.216 20 30 EGEDLO C=CCOc1ccc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1OC ZINC000120736828 454340687 /nfs/dbraw/zinc/34/06/87/454340687.db2.gz PNECWSFOVHHBMX-OAHLLOKOSA-N 1 2 341.411 3.351 20 30 EGEDLO CCOC(=O)Nc1ccc(NCc2cn3ccccc3[nH+]2)cc1C#N ZINC000097051343 454397043 /nfs/dbraw/zinc/39/70/43/454397043.db2.gz SNZJNJGCDRPZTP-UHFFFAOYSA-N 1 2 335.367 3.386 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCc4cc(F)ccc4C3)o2)cc1 ZINC000091896226 454487187 /nfs/dbraw/zinc/48/71/87/454487187.db2.gz OBWYQYOAWBAVRB-UHFFFAOYSA-N 1 2 334.354 3.306 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCc4cc(F)ccc4C3)o2)cc1 ZINC000091896226 454487190 /nfs/dbraw/zinc/48/71/90/454487190.db2.gz OBWYQYOAWBAVRB-UHFFFAOYSA-N 1 2 334.354 3.306 20 30 EGEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000101919739 454487686 /nfs/dbraw/zinc/48/76/86/454487686.db2.gz TUPJMRCWJLDKCL-MRXNPFEDSA-N 1 2 333.435 3.430 20 30 EGEDLO C[N@H+](CC(=O)Nc1nncs1)Cc1ccc(Br)cc1 ZINC000048552560 454497578 /nfs/dbraw/zinc/49/75/78/454497578.db2.gz QAJPEGLOROYFIK-UHFFFAOYSA-N 1 2 341.234 3.021 20 30 EGEDLO C[N@@H+](CC(=O)Nc1nncs1)Cc1ccc(Br)cc1 ZINC000048552560 454497581 /nfs/dbraw/zinc/49/75/81/454497581.db2.gz QAJPEGLOROYFIK-UHFFFAOYSA-N 1 2 341.234 3.021 20 30 EGEDLO C[C@H](C#N)C[N@H+](C)C[C@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000064796084 454505735 /nfs/dbraw/zinc/50/57/35/454505735.db2.gz ULWNMTFOQDXRIH-SJORKVTESA-N 1 2 340.423 3.310 20 30 EGEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000064796084 454505738 /nfs/dbraw/zinc/50/57/38/454505738.db2.gz ULWNMTFOQDXRIH-SJORKVTESA-N 1 2 340.423 3.310 20 30 EGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1ncc(CC)s1 ZINC000175507409 455455834 /nfs/dbraw/zinc/45/58/34/455455834.db2.gz QBWUVXVUFPRFJQ-INIZCTEOSA-N 1 2 346.496 3.306 20 30 EGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1ncc(CC)s1 ZINC000175507409 455455837 /nfs/dbraw/zinc/45/58/37/455455837.db2.gz QBWUVXVUFPRFJQ-INIZCTEOSA-N 1 2 346.496 3.306 20 30 EGEDLO CCC[N@@H+](CC#N)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000049981003 454567081 /nfs/dbraw/zinc/56/70/81/454567081.db2.gz LQJYUJZSJFDEKH-UHFFFAOYSA-N 1 2 344.484 3.453 20 30 EGEDLO CCC[N@H+](CC#N)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000049981003 454567087 /nfs/dbraw/zinc/56/70/87/454567087.db2.gz LQJYUJZSJFDEKH-UHFFFAOYSA-N 1 2 344.484 3.453 20 30 EGEDLO CCC(CC)[C@@H](CNc1snc(Cl)c1C#N)[NH+]1CCOCC1 ZINC000092584971 454590055 /nfs/dbraw/zinc/59/00/55/454590055.db2.gz FNJUPLBBNWELJH-CYBMUJFWSA-N 1 2 342.896 3.217 20 30 EGEDLO COc1ccsc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000092596879 454592705 /nfs/dbraw/zinc/59/27/05/454592705.db2.gz GVUOHVJBNUSGNF-UHFFFAOYSA-N 1 2 331.416 3.090 20 30 EGEDLO Cn1c2ccccc2[nH+]c1CCCNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000080760469 454629731 /nfs/dbraw/zinc/62/97/31/454629731.db2.gz MSTZBSWUZMJUSD-UHFFFAOYSA-N 1 2 335.367 3.398 20 30 EGEDLO N#Cc1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1Cl ZINC000105351000 454635718 /nfs/dbraw/zinc/63/57/18/454635718.db2.gz CLVGINZGTQEHCU-UHFFFAOYSA-N 1 2 329.791 3.277 20 30 EGEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1)C1CC1 ZINC000052077658 454654618 /nfs/dbraw/zinc/65/46/18/454654618.db2.gz JHMVBNMAERSGEP-AEFFLSMTSA-N 1 2 331.847 3.285 20 30 EGEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1)C1CC1 ZINC000052077658 454654620 /nfs/dbraw/zinc/65/46/20/454654620.db2.gz JHMVBNMAERSGEP-AEFFLSMTSA-N 1 2 331.847 3.285 20 30 EGEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000066187507 454666412 /nfs/dbraw/zinc/66/64/12/454666412.db2.gz KHJUYZQEZQPXLN-UHFFFAOYSA-N 1 2 339.443 3.155 20 30 EGEDLO C[C@@H]([NH2+][C@@H](C)c1nccs1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000106241655 454687880 /nfs/dbraw/zinc/68/78/80/454687880.db2.gz NQXHNHAXTPHWGL-ZJUUUORDSA-N 1 2 334.832 3.346 20 30 EGEDLO CC[C@]1(C)C[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)CCO1 ZINC000135665831 454697116 /nfs/dbraw/zinc/69/71/16/454697116.db2.gz OMQKHIAVTMFADR-HXUWFJFHSA-N 1 2 343.471 3.051 20 30 EGEDLO CC[C@]1(C)C[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)CCO1 ZINC000135665831 454697118 /nfs/dbraw/zinc/69/71/18/454697118.db2.gz OMQKHIAVTMFADR-HXUWFJFHSA-N 1 2 343.471 3.051 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000125347264 454815793 /nfs/dbraw/zinc/81/57/93/454815793.db2.gz ZFSOOGQTXLNILD-QGZVFWFLSA-N 1 2 340.814 3.382 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000125347264 454815800 /nfs/dbraw/zinc/81/58/00/454815800.db2.gz ZFSOOGQTXLNILD-QGZVFWFLSA-N 1 2 340.814 3.382 20 30 EGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000109813733 454837947 /nfs/dbraw/zinc/83/79/47/454837947.db2.gz ALOWLVYCEIELDU-UHFFFAOYSA-N 1 2 333.388 3.223 20 30 EGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000109813733 454837950 /nfs/dbraw/zinc/83/79/50/454837950.db2.gz ALOWLVYCEIELDU-UHFFFAOYSA-N 1 2 333.388 3.223 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c(C#N)c1C ZINC000177251573 454842871 /nfs/dbraw/zinc/84/28/71/454842871.db2.gz IGPHWXCGBZBUSY-UHFFFAOYSA-N 1 2 338.436 3.179 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c(C#N)c1C ZINC000177251573 454842875 /nfs/dbraw/zinc/84/28/75/454842875.db2.gz IGPHWXCGBZBUSY-UHFFFAOYSA-N 1 2 338.436 3.179 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000111307832 454861586 /nfs/dbraw/zinc/86/15/86/454861586.db2.gz YAWCLOYROPCAIM-AWEZNQCLSA-N 1 2 346.228 3.193 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000111307832 454861590 /nfs/dbraw/zinc/86/15/90/454861590.db2.gz YAWCLOYROPCAIM-AWEZNQCLSA-N 1 2 346.228 3.193 20 30 EGEDLO C=CCNC(=O)C[N@@H+]1Cc2cc(OC)ccc2C[C@@H]1c1ccccc1 ZINC000177461521 454866552 /nfs/dbraw/zinc/86/65/52/454866552.db2.gz YSQNNCOUJDMVGI-HXUWFJFHSA-N 1 2 336.435 3.097 20 30 EGEDLO C=CCNC(=O)C[N@H+]1Cc2cc(OC)ccc2C[C@@H]1c1ccccc1 ZINC000177461521 454866553 /nfs/dbraw/zinc/86/65/53/454866553.db2.gz YSQNNCOUJDMVGI-HXUWFJFHSA-N 1 2 336.435 3.097 20 30 EGEDLO CCc1ccc([C@H]2COCC[N@@H+]2CCOc2cccc(C#N)c2)o1 ZINC000126102554 454870455 /nfs/dbraw/zinc/87/04/55/454870455.db2.gz JWBHVKMBJAHBKZ-GOSISDBHSA-N 1 2 326.396 3.166 20 30 EGEDLO CCc1ccc([C@H]2COCC[N@H+]2CCOc2cccc(C#N)c2)o1 ZINC000126102554 454870456 /nfs/dbraw/zinc/87/04/56/454870456.db2.gz JWBHVKMBJAHBKZ-GOSISDBHSA-N 1 2 326.396 3.166 20 30 EGEDLO Cn1ccnc1[C@H]([NH2+]Cc1cc(C#N)cs1)c1cccc(F)c1 ZINC000177683870 454891837 /nfs/dbraw/zinc/89/18/37/454891837.db2.gz VUAYMIJBUVRUIO-MRXNPFEDSA-N 1 2 326.400 3.372 20 30 EGEDLO Cc1nc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)sc1C ZINC000177760447 454900990 /nfs/dbraw/zinc/90/09/90/454900990.db2.gz ZOVXGDPWAYXSIQ-KRWDZBQOSA-N 1 2 326.469 3.142 20 30 EGEDLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cc(C#N)cs1 ZINC000154830961 454933805 /nfs/dbraw/zinc/93/38/05/454933805.db2.gz AXQBPJZMOUCAJP-UHFFFAOYSA-N 1 2 329.425 3.089 20 30 EGEDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cc(C#N)cs1 ZINC000154830961 454933810 /nfs/dbraw/zinc/93/38/10/454933810.db2.gz AXQBPJZMOUCAJP-UHFFFAOYSA-N 1 2 329.425 3.089 20 30 EGEDLO N#CCCN(Cc1cn2cc(Cl)ccc2[nH+]1)Cc1ccccn1 ZINC000178387957 454952821 /nfs/dbraw/zinc/95/28/21/454952821.db2.gz WSTONEIVCPCYKJ-UHFFFAOYSA-N 1 2 325.803 3.299 20 30 EGEDLO CC#CCCCC(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000185083490 455497966 /nfs/dbraw/zinc/49/79/66/455497966.db2.gz RZBRALKRSRUNFD-UHFFFAOYSA-N 1 2 348.874 3.057 20 30 EGEDLO CC[N@H+](CCC#N)Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000127655950 454985299 /nfs/dbraw/zinc/98/52/99/454985299.db2.gz LAZBJWCUCGVBTD-UHFFFAOYSA-N 1 2 325.412 3.405 20 30 EGEDLO CC[N@@H+](CCC#N)Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000127655950 454985300 /nfs/dbraw/zinc/98/53/00/454985300.db2.gz LAZBJWCUCGVBTD-UHFFFAOYSA-N 1 2 325.412 3.405 20 30 EGEDLO CCS[C@H](C)c1noc(C[N@H+](C)CCOc2ccc(C#N)cc2)n1 ZINC000127901424 455007835 /nfs/dbraw/zinc/00/78/35/455007835.db2.gz LDFOJMWWKCEMEL-CYBMUJFWSA-N 1 2 346.456 3.266 20 30 EGEDLO CCS[C@H](C)c1noc(C[N@@H+](C)CCOc2ccc(C#N)cc2)n1 ZINC000127901424 455007838 /nfs/dbraw/zinc/00/78/38/455007838.db2.gz LDFOJMWWKCEMEL-CYBMUJFWSA-N 1 2 346.456 3.266 20 30 EGEDLO COc1ccc(C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1C#N ZINC000179208667 455020856 /nfs/dbraw/zinc/02/08/56/455020856.db2.gz FJRYCYNVIQVQEY-IBGZPJMESA-N 1 2 326.371 3.279 20 30 EGEDLO COc1ccc(C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1C#N ZINC000179208667 455020860 /nfs/dbraw/zinc/02/08/60/455020860.db2.gz FJRYCYNVIQVQEY-IBGZPJMESA-N 1 2 326.371 3.279 20 30 EGEDLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)s1 ZINC000155690276 455032032 /nfs/dbraw/zinc/03/20/32/455032032.db2.gz LBJDAQVYJQXYFJ-NSHDSACASA-N 1 2 346.456 3.473 20 30 EGEDLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)s1 ZINC000155690276 455032034 /nfs/dbraw/zinc/03/20/34/455032034.db2.gz LBJDAQVYJQXYFJ-NSHDSACASA-N 1 2 346.456 3.473 20 30 EGEDLO COc1ccc(C#N)cc1C[NH2+][C@@H](c1nc(C2CC2)no1)C(C)C ZINC000179830394 455085888 /nfs/dbraw/zinc/08/58/88/455085888.db2.gz GKXKNYBXINUQOS-MRXNPFEDSA-N 1 2 326.400 3.314 20 30 EGEDLO N#C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)c(Cl)c1 ZINC000152411572 455115271 /nfs/dbraw/zinc/11/52/71/455115271.db2.gz GWIHPOLIBQURTK-XHDPSFHLSA-N 1 2 349.221 3.133 20 30 EGEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000118861938 455115442 /nfs/dbraw/zinc/11/54/42/455115442.db2.gz DOOYVFYBKZOUPX-MRXNPFEDSA-N 1 2 344.846 3.169 20 30 EGEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000118861938 455115445 /nfs/dbraw/zinc/11/54/45/455115445.db2.gz DOOYVFYBKZOUPX-MRXNPFEDSA-N 1 2 344.846 3.169 20 30 EGEDLO C[C@H]1CSCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000172436057 455154065 /nfs/dbraw/zinc/15/40/65/455154065.db2.gz PDYUQPMMCVDIPP-ZDUSSCGKSA-N 1 2 337.876 3.024 20 30 EGEDLO C[C@H]1CSCC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000172436057 455154067 /nfs/dbraw/zinc/15/40/67/455154067.db2.gz PDYUQPMMCVDIPP-ZDUSSCGKSA-N 1 2 337.876 3.024 20 30 EGEDLO C=C(C)C[N@@H+](C)Cc1nc(Cc2cccc(Br)c2)no1 ZINC000181302847 455314992 /nfs/dbraw/zinc/31/49/92/455314992.db2.gz HXVOZZFOJQRYOE-UHFFFAOYSA-N 1 2 336.233 3.431 20 30 EGEDLO C=C(C)C[N@H+](C)Cc1nc(Cc2cccc(Br)c2)no1 ZINC000181302847 455314998 /nfs/dbraw/zinc/31/49/98/455314998.db2.gz HXVOZZFOJQRYOE-UHFFFAOYSA-N 1 2 336.233 3.431 20 30 EGEDLO COCCCCCO[NH+]=C(N)c1cccc(Cn2nc(C)cc2C)c1 ZINC000174132736 455362873 /nfs/dbraw/zinc/36/28/73/455362873.db2.gz KBRTZZGYWYQUNW-UHFFFAOYSA-N 1 2 344.459 3.002 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)C[C@H](O)COc1cccc(C(C)=O)c1 ZINC000267145645 455507426 /nfs/dbraw/zinc/50/74/26/455507426.db2.gz AYNLDDLFEZPKTL-IBGZPJMESA-N 1 2 346.471 3.281 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)C[C@H](O)COc1cccc(C(C)=O)c1 ZINC000267145645 455507431 /nfs/dbraw/zinc/50/74/31/455507431.db2.gz AYNLDDLFEZPKTL-IBGZPJMESA-N 1 2 346.471 3.281 20 30 EGEDLO N#Cc1cccc(-c2csc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)n2)c1 ZINC000161150160 455539782 /nfs/dbraw/zinc/53/97/82/455539782.db2.gz PEKJPQKSDWHQLI-CQSZACIVSA-N 1 2 349.419 3.079 20 30 EGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)CCc1ccc(C#N)cc1 ZINC000192255556 455582863 /nfs/dbraw/zinc/58/28/63/455582863.db2.gz HRQANKIIEARTNB-UHFFFAOYSA-N 1 2 338.455 3.189 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c(C#N)c1C ZINC000268034413 455583308 /nfs/dbraw/zinc/58/33/08/455583308.db2.gz NHGIEKKETCBGTJ-HNNXBMFYSA-N 1 2 341.386 3.335 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c(C#N)c1C ZINC000268034413 455583311 /nfs/dbraw/zinc/58/33/11/455583311.db2.gz NHGIEKKETCBGTJ-HNNXBMFYSA-N 1 2 341.386 3.335 20 30 EGEDLO Cc1ccncc1C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000277695944 455636595 /nfs/dbraw/zinc/63/65/95/455636595.db2.gz HKJDXDPUTPPBPV-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO CCc1noc(C)c1C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000277699853 455638169 /nfs/dbraw/zinc/63/81/69/455638169.db2.gz HPYWMTJWNZQSJM-UHFFFAOYSA-N 1 2 344.846 3.393 20 30 EGEDLO CC(C)(C)C[N@H+](CCC#N)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192599568 455649280 /nfs/dbraw/zinc/64/92/80/455649280.db2.gz AUHUUFBZBGNXNC-SFHVURJKSA-N 1 2 338.455 3.315 20 30 EGEDLO CC(C)(C)C[N@@H+](CCC#N)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192599568 455649284 /nfs/dbraw/zinc/64/92/84/455649284.db2.gz AUHUUFBZBGNXNC-SFHVURJKSA-N 1 2 338.455 3.315 20 30 EGEDLO N#CCC[N@H+](CC1CC1)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000192610726 455653418 /nfs/dbraw/zinc/65/34/18/455653418.db2.gz JCILYPIQXNQXJT-INIZCTEOSA-N 1 2 335.810 3.210 20 30 EGEDLO N#CCC[N@@H+](CC1CC1)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000192610726 455653422 /nfs/dbraw/zinc/65/34/22/455653422.db2.gz JCILYPIQXNQXJT-INIZCTEOSA-N 1 2 335.810 3.210 20 30 EGEDLO CC(C)CO[C@H](C)C(N)=[NH+]O[C@H](C)c1noc(-c2ccccc2)n1 ZINC000284378191 455677003 /nfs/dbraw/zinc/67/70/03/455677003.db2.gz LVMQZMDBMXCYRO-CHWSQXEVSA-N 1 2 332.404 3.148 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000186282180 455733723 /nfs/dbraw/zinc/73/37/23/455733723.db2.gz WNASHKDHBUCRBI-GFCCVEGCSA-N 1 2 329.341 3.137 20 30 EGEDLO CC#CC[N@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000293079791 455773300 /nfs/dbraw/zinc/77/33/00/455773300.db2.gz JORHNMWUENHGJC-UHFFFAOYSA-N 1 2 326.219 3.016 20 30 EGEDLO CC#CC[N@@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000293079791 455773308 /nfs/dbraw/zinc/77/33/08/455773308.db2.gz JORHNMWUENHGJC-UHFFFAOYSA-N 1 2 326.219 3.016 20 30 EGEDLO CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1N1CCC(C#N)CC1 ZINC000269059329 455778970 /nfs/dbraw/zinc/77/89/70/455778970.db2.gz XHXULBANKITFDE-UHFFFAOYSA-N 1 2 339.395 3.160 20 30 EGEDLO C#CCOc1ccc(C[N@@H+]2CCSC[C@H]2c2nccs2)cc1 ZINC000186630092 455808454 /nfs/dbraw/zinc/80/84/54/455808454.db2.gz IPIAWIBTUJIELP-INIZCTEOSA-N 1 2 330.478 3.445 20 30 EGEDLO C#CCOc1ccc(C[N@H+]2CCSC[C@H]2c2nccs2)cc1 ZINC000186630092 455808459 /nfs/dbraw/zinc/80/84/59/455808459.db2.gz IPIAWIBTUJIELP-INIZCTEOSA-N 1 2 330.478 3.445 20 30 EGEDLO CC[C@@H]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000294283234 455810577 /nfs/dbraw/zinc/81/05/77/455810577.db2.gz HLEURBVJYIHKFR-MOPGFXCFSA-N 1 2 325.456 3.029 20 30 EGEDLO COc1ccc([NH2+]CC(C)(C)CCC#N)cc1-n1nnnc1C1CC1 ZINC000269518545 455848921 /nfs/dbraw/zinc/84/89/21/455848921.db2.gz YHGNBCBWSNILTD-UHFFFAOYSA-N 1 2 340.431 3.290 20 30 EGEDLO CC[C@](C)([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1nccs1 ZINC000269644872 455851807 /nfs/dbraw/zinc/85/18/07/455851807.db2.gz OWXDFIVGTHUIKB-INIZCTEOSA-N 1 2 332.429 3.078 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270049021 455865286 /nfs/dbraw/zinc/86/52/86/455865286.db2.gz DSTHODYEGQDFNR-NVXWUHKLSA-N 1 2 341.455 3.317 20 30 EGEDLO C=C(C)CN(C)C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000194877509 455894638 /nfs/dbraw/zinc/89/46/38/455894638.db2.gz ZWODNQIEXVRQIQ-UHFFFAOYSA-N 1 2 339.395 3.155 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cc(C)ccc1OC ZINC000272269189 455897249 /nfs/dbraw/zinc/89/72/49/455897249.db2.gz LEFSNNHHPBIPOV-UHFFFAOYSA-N 1 2 328.412 3.266 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cc(C)ccc1OC ZINC000272269189 455897252 /nfs/dbraw/zinc/89/72/52/455897252.db2.gz LEFSNNHHPBIPOV-UHFFFAOYSA-N 1 2 328.412 3.266 20 30 EGEDLO Cc1nc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cs1 ZINC000272276143 455899265 /nfs/dbraw/zinc/89/92/65/455899265.db2.gz ZCBQKWKQKANYTC-BLLLJJGKSA-N 1 2 340.452 3.169 20 30 EGEDLO CC(C)c1nnc([C@@H]2C[N@@H+]([C@H](C)c3ccc(C#N)cc3)CCO2)o1 ZINC000280130063 455899319 /nfs/dbraw/zinc/89/93/19/455899319.db2.gz QMNJLDJTOZJPJN-CJNGLKHVSA-N 1 2 326.400 3.199 20 30 EGEDLO CC(C)c1nnc([C@@H]2C[N@H+]([C@H](C)c3ccc(C#N)cc3)CCO2)o1 ZINC000280130063 455899325 /nfs/dbraw/zinc/89/93/25/455899325.db2.gz QMNJLDJTOZJPJN-CJNGLKHVSA-N 1 2 326.400 3.199 20 30 EGEDLO C[C@H](c1cccc(NC(=O)c2ccc(CC#N)cc2)c1)[NH+]1CCOCC1 ZINC000270282953 455920217 /nfs/dbraw/zinc/92/02/17/455920217.db2.gz JQROJNFLCADBRM-MRXNPFEDSA-N 1 2 349.434 3.398 20 30 EGEDLO COC(=O)c1nc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2)sc1C ZINC000280508970 455986716 /nfs/dbraw/zinc/98/67/16/455986716.db2.gz RFDSPPOLRJMXMD-OAHLLOKOSA-N 1 2 341.436 3.447 20 30 EGEDLO COC(=O)c1nc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)sc1C ZINC000280508970 455986718 /nfs/dbraw/zinc/98/67/18/455986718.db2.gz RFDSPPOLRJMXMD-OAHLLOKOSA-N 1 2 341.436 3.447 20 30 EGEDLO C=C[C@H](Cc1nc([C@H]2C[N@H+](C(C)C)CCO2)no1)c1ccccc1 ZINC000272627603 456018172 /nfs/dbraw/zinc/01/81/72/456018172.db2.gz JYJMCAKYOMYNEY-NVXWUHKLSA-N 1 2 327.428 3.364 20 30 EGEDLO C=C[C@H](Cc1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1)c1ccccc1 ZINC000272627603 456018178 /nfs/dbraw/zinc/01/81/78/456018178.db2.gz JYJMCAKYOMYNEY-NVXWUHKLSA-N 1 2 327.428 3.364 20 30 EGEDLO CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000332575882 456093860 /nfs/dbraw/zinc/09/38/60/456093860.db2.gz YJMDGRMDDIGHDK-DOTOQJQBSA-N 1 2 336.439 3.124 20 30 EGEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000281115507 456137593 /nfs/dbraw/zinc/13/75/93/456137593.db2.gz HOEWTIYEWYZKIY-UHFFFAOYSA-N 1 2 349.425 3.274 20 30 EGEDLO Cc1cccn2cc(COc3ccc(C(=O)NCCCC#N)cc3)[nH+]c12 ZINC000273011326 456144989 /nfs/dbraw/zinc/14/49/89/456144989.db2.gz JJEXUHOLDDANHX-UHFFFAOYSA-N 1 2 348.406 3.255 20 30 EGEDLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)NCCCC#N)CC1 ZINC000273639397 456242436 /nfs/dbraw/zinc/24/24/36/456242436.db2.gz XVTOMGKNGRYFIU-UHFFFAOYSA-N 1 2 339.443 3.249 20 30 EGEDLO C#CC[N@@H+](Cc1csc(-c2ccc(OC)cc2OC)n1)C1CC1 ZINC000274190514 456252062 /nfs/dbraw/zinc/25/20/62/456252062.db2.gz QEECINCROZVZAY-UHFFFAOYSA-N 1 2 328.437 3.425 20 30 EGEDLO C#CC[N@H+](Cc1csc(-c2ccc(OC)cc2OC)n1)C1CC1 ZINC000274190514 456252070 /nfs/dbraw/zinc/25/20/70/456252070.db2.gz QEECINCROZVZAY-UHFFFAOYSA-N 1 2 328.437 3.425 20 30 EGEDLO N#CCc1ccccc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000601125778 460721414 /nfs/dbraw/zinc/72/14/14/460721414.db2.gz UUUWDOYLPNVDOR-UHFFFAOYSA-N 1 2 348.450 3.458 20 30 EGEDLO Cc1nn(C(C)C)cc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000281607189 456274350 /nfs/dbraw/zinc/27/43/50/456274350.db2.gz MRNCJYVMKGZJMP-FQEVSTJZSA-N 1 2 337.471 3.155 20 30 EGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1ccc(/C=N/OC)cc1 ZINC000281712305 456300251 /nfs/dbraw/zinc/30/02/51/456300251.db2.gz HVRQRCJZSQKYIG-AQRZYSDFSA-N 1 2 340.427 3.251 20 30 EGEDLO CC(C)(C)C1=CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000340189966 456302445 /nfs/dbraw/zinc/30/24/45/456302445.db2.gz BCQDNUCYIAWSPO-OAHLLOKOSA-N 1 2 329.469 3.403 20 30 EGEDLO CC(C)(C)C1=CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000340189966 456302454 /nfs/dbraw/zinc/30/24/54/456302454.db2.gz BCQDNUCYIAWSPO-OAHLLOKOSA-N 1 2 329.469 3.403 20 30 EGEDLO CC(C)N1CCC[C@H]([N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)C1=O ZINC000336878287 456314473 /nfs/dbraw/zinc/31/44/73/456314473.db2.gz CWLITUGTDMSFTQ-QYZOEREBSA-N 1 2 325.456 3.158 20 30 EGEDLO CC(C)N1CCC[C@H]([N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)C1=O ZINC000336878287 456314478 /nfs/dbraw/zinc/31/44/78/456314478.db2.gz CWLITUGTDMSFTQ-QYZOEREBSA-N 1 2 325.456 3.158 20 30 EGEDLO Cc1ccc2[nH+]c(COc3ccccc3C(=O)N(C)[C@H](C)C#N)cn2c1 ZINC000297870612 456314576 /nfs/dbraw/zinc/31/45/76/456314576.db2.gz UCAUPYSCDGRTDN-OAHLLOKOSA-N 1 2 348.406 3.206 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCC1CCCCC1 ZINC000352801177 456320440 /nfs/dbraw/zinc/32/04/40/456320440.db2.gz RSKOFFXWKYQLJL-INIZCTEOSA-N 1 2 348.487 3.235 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCC1CCCCC1 ZINC000352801177 456320442 /nfs/dbraw/zinc/32/04/42/456320442.db2.gz RSKOFFXWKYQLJL-INIZCTEOSA-N 1 2 348.487 3.235 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000352802089 456321777 /nfs/dbraw/zinc/32/17/77/456321777.db2.gz LIPWUPBXOOMLLP-IXDOHACOSA-N 1 2 348.487 3.043 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000352802089 456321785 /nfs/dbraw/zinc/32/17/85/456321785.db2.gz LIPWUPBXOOMLLP-IXDOHACOSA-N 1 2 348.487 3.043 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(C(=O)OC)c(C)o1 ZINC000352819609 456335158 /nfs/dbraw/zinc/33/51/58/456335158.db2.gz WZSUPCAQPHLYPO-UHFFFAOYSA-N 1 2 333.384 3.038 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(C(=O)OC)c(C)o1 ZINC000352819609 456335164 /nfs/dbraw/zinc/33/51/64/456335164.db2.gz WZSUPCAQPHLYPO-UHFFFAOYSA-N 1 2 333.384 3.038 20 30 EGEDLO C=CCCOCCCCC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000342971989 456338258 /nfs/dbraw/zinc/33/82/58/456338258.db2.gz OGMLZRXINWQXES-UHFFFAOYSA-N 1 2 348.462 3.233 20 30 EGEDLO C#C[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C(C)C ZINC000298148162 456375750 /nfs/dbraw/zinc/37/57/50/456375750.db2.gz ZPVGEHJVLJHAKS-FHWLQOOXSA-N 1 2 336.439 3.069 20 30 EGEDLO C=CC[C@H](CC)NC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000281995944 456385337 /nfs/dbraw/zinc/38/53/37/456385337.db2.gz UZIIIGDZEYWGTQ-KRWDZBQOSA-N 1 2 326.444 3.280 20 30 EGEDLO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000276138301 456396677 /nfs/dbraw/zinc/39/66/77/456396677.db2.gz DOCUZOMSVQVNEZ-SNVBAGLBSA-N 1 2 331.363 3.221 20 30 EGEDLO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000276138301 456396684 /nfs/dbraw/zinc/39/66/84/456396684.db2.gz DOCUZOMSVQVNEZ-SNVBAGLBSA-N 1 2 331.363 3.221 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)N1C[C@@H](C)C[C@H](C)C1)Cc1cnn(C(C)C)c1 ZINC000352924279 456416665 /nfs/dbraw/zinc/41/66/65/456416665.db2.gz YXCJTRDTBXEYMG-ROUUACIJSA-N 1 2 346.519 3.347 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)N1C[C@@H](C)C[C@H](C)C1)Cc1cnn(C(C)C)c1 ZINC000352924279 456416668 /nfs/dbraw/zinc/41/66/68/456416668.db2.gz YXCJTRDTBXEYMG-ROUUACIJSA-N 1 2 346.519 3.347 20 30 EGEDLO COc1cc(C[N@H+](C)Cc2ncc(C)c(OC)c2C)ccc1C#N ZINC000282220471 456446331 /nfs/dbraw/zinc/44/63/31/456446331.db2.gz HXHCQXQQJFMCEA-UHFFFAOYSA-N 1 2 325.412 3.219 20 30 EGEDLO COc1cc(C[N@@H+](C)Cc2ncc(C)c(OC)c2C)ccc1C#N ZINC000282220471 456446335 /nfs/dbraw/zinc/44/63/35/456446335.db2.gz HXHCQXQQJFMCEA-UHFFFAOYSA-N 1 2 325.412 3.219 20 30 EGEDLO Cc1cccc(CCCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[nH+]1 ZINC000343248614 456481754 /nfs/dbraw/zinc/48/17/54/456481754.db2.gz LIRUMNPBALEAKC-UHFFFAOYSA-N 1 2 347.378 3.185 20 30 EGEDLO COc1cc(C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)ccc1C#N ZINC000282367441 456491640 /nfs/dbraw/zinc/49/16/40/456491640.db2.gz PZXFLPWZSVWDEM-IBGZPJMESA-N 1 2 326.371 3.279 20 30 EGEDLO COc1cc(C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)ccc1C#N ZINC000282367441 456491643 /nfs/dbraw/zinc/49/16/43/456491643.db2.gz PZXFLPWZSVWDEM-IBGZPJMESA-N 1 2 326.371 3.279 20 30 EGEDLO C=CCc1cc(C[N@@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)cc(OC)c1O ZINC000353320864 456636185 /nfs/dbraw/zinc/63/61/85/456636185.db2.gz NXVLNXFUCDXMNF-MRXNPFEDSA-N 1 2 347.455 3.435 20 30 EGEDLO C=CCc1cc(C[N@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)cc(OC)c1O ZINC000353320864 456636190 /nfs/dbraw/zinc/63/61/90/456636190.db2.gz NXVLNXFUCDXMNF-MRXNPFEDSA-N 1 2 347.455 3.435 20 30 EGEDLO Cc1ccnc(N2CC[NH+]([C@H](C)c3ccc(F)cc3F)CC2)c1C#N ZINC000343513030 456671873 /nfs/dbraw/zinc/67/18/73/456671873.db2.gz PYCKSKZMWAYCPP-CQSZACIVSA-N 1 2 342.393 3.423 20 30 EGEDLO C=CC[N@@H+](Cc1nc2ccc(OC)nc2[nH]1)Cc1cccc(C#N)c1 ZINC000353502095 456718925 /nfs/dbraw/zinc/71/89/25/456718925.db2.gz OVIAGMQZMUXWOZ-UHFFFAOYSA-N 1 2 333.395 3.026 20 30 EGEDLO C=CC[N@H+](Cc1nc2ccc(OC)nc2[nH]1)Cc1cccc(C#N)c1 ZINC000353502095 456718928 /nfs/dbraw/zinc/71/89/28/456718928.db2.gz OVIAGMQZMUXWOZ-UHFFFAOYSA-N 1 2 333.395 3.026 20 30 EGEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000328619628 456720218 /nfs/dbraw/zinc/72/02/18/456720218.db2.gz WCKCOHUQXDQSFF-JKSUJKDBSA-N 1 2 346.475 3.146 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CCOC3(CCCCC3)C2)C1 ZINC000328771634 456757389 /nfs/dbraw/zinc/75/73/89/456757389.db2.gz ASNCYEJUPLTNQA-CVEARBPZSA-N 1 2 346.475 3.005 20 30 EGEDLO Cc1ncncc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328818097 456768503 /nfs/dbraw/zinc/76/85/03/456768503.db2.gz GZGYQPRJLAFCQN-CVEARBPZSA-N 1 2 348.809 3.328 20 30 EGEDLO Cc1ncncc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328818097 456768505 /nfs/dbraw/zinc/76/85/05/456768505.db2.gz GZGYQPRJLAFCQN-CVEARBPZSA-N 1 2 348.809 3.328 20 30 EGEDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1coc(C2CCCC2)n1 ZINC000328829985 456769812 /nfs/dbraw/zinc/76/98/12/456769812.db2.gz UTSRPGZITOHSKA-AWEZNQCLSA-N 1 2 326.400 3.311 20 30 EGEDLO Cc1c[nH+]ccc1CC[NH+]=C([O-])N1CCC(c2nccs2)CC1 ZINC000328874691 456783027 /nfs/dbraw/zinc/78/30/27/456783027.db2.gz ZEJAPFUEOQHTMA-UHFFFAOYSA-N 1 2 330.457 3.183 20 30 EGEDLO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@@H+]1CC(=O)Nc1c(C)cccc1C ZINC000329003762 456810936 /nfs/dbraw/zinc/81/09/36/456810936.db2.gz YCSVJUSDWZQNAP-RCCFBDPRSA-N 1 2 346.471 3.407 20 30 EGEDLO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@H+]1CC(=O)Nc1c(C)cccc1C ZINC000329003762 456810943 /nfs/dbraw/zinc/81/09/43/456810943.db2.gz YCSVJUSDWZQNAP-RCCFBDPRSA-N 1 2 346.471 3.407 20 30 EGEDLO CC(=O)N1CC[C@@H](C(=O)NCc2ccc3c(c2)[nH+]c(C)n3C2CC2)C1 ZINC000329041691 456821757 /nfs/dbraw/zinc/82/17/57/456821757.db2.gz DPXOMWNWUMSWOJ-OAHLLOKOSA-N 1 2 340.427 3.005 20 30 EGEDLO Cc1noc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3Cl)C2)n1 ZINC000329064094 456826102 /nfs/dbraw/zinc/82/61/02/456826102.db2.gz VPKMAZPSTWTIND-PWSUYJOCSA-N 1 2 334.807 3.497 20 30 EGEDLO Cc1noc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3Cl)C2)n1 ZINC000329064094 456826106 /nfs/dbraw/zinc/82/61/06/456826106.db2.gz VPKMAZPSTWTIND-PWSUYJOCSA-N 1 2 334.807 3.497 20 30 EGEDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@@H]1CC12CCCCC2 ZINC000329094727 456833661 /nfs/dbraw/zinc/83/36/61/456833661.db2.gz BCLDQVMARVEYRW-LLVKDONJSA-N 1 2 330.354 3.172 20 30 EGEDLO C=CCCC1(C(=O)N2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)CC1 ZINC000353675443 456846462 /nfs/dbraw/zinc/84/64/62/456846462.db2.gz KIIRFWJWMDXWID-UHFFFAOYSA-N 1 2 346.446 3.225 20 30 EGEDLO O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000329182743 456850153 /nfs/dbraw/zinc/85/01/53/456850153.db2.gz PCGNGSXHZJKZTD-LZLYRXPVSA-N 1 2 325.412 3.180 20 30 EGEDLO N#CCOc1ccc(C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)cc1 ZINC000292130037 456863510 /nfs/dbraw/zinc/86/35/10/456863510.db2.gz LLCLQHJCTUVLPL-KRWDZBQOSA-N 1 2 325.416 3.118 20 30 EGEDLO Cc1cn2cc(NC(=O)N3CCC[C@@H]3C3CCOCC3)ccc2[nH+]1 ZINC000329385781 456882624 /nfs/dbraw/zinc/88/26/24/456882624.db2.gz SDAXJYRYKBAXCP-MRXNPFEDSA-N 1 2 328.416 3.079 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)N[C@H](C)c3ccc(F)cc3)C2)[nH]1 ZINC000329426570 456888070 /nfs/dbraw/zinc/88/80/70/456888070.db2.gz HBHUMPYBBRZQFO-IUODEOHRSA-N 1 2 345.422 3.149 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)N[C@H](C)c3ccc(F)cc3)C2)[nH]1 ZINC000329426570 456888075 /nfs/dbraw/zinc/88/80/75/456888075.db2.gz HBHUMPYBBRZQFO-IUODEOHRSA-N 1 2 345.422 3.149 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)N[C@H](C)c3ccc(F)cc3)C2)n1 ZINC000329426570 456888080 /nfs/dbraw/zinc/88/80/80/456888080.db2.gz HBHUMPYBBRZQFO-IUODEOHRSA-N 1 2 345.422 3.149 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)N[C@H](C)c3ccc(F)cc3)C2)n1 ZINC000329426570 456888082 /nfs/dbraw/zinc/88/80/82/456888082.db2.gz HBHUMPYBBRZQFO-IUODEOHRSA-N 1 2 345.422 3.149 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)N[C@H](C)c3ccc(F)cc3)C2)n[nH]1 ZINC000329426570 456888088 /nfs/dbraw/zinc/88/80/88/456888088.db2.gz HBHUMPYBBRZQFO-IUODEOHRSA-N 1 2 345.422 3.149 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)N[C@H](C)c3ccc(F)cc3)C2)n[nH]1 ZINC000329426570 456888092 /nfs/dbraw/zinc/88/80/92/456888092.db2.gz HBHUMPYBBRZQFO-IUODEOHRSA-N 1 2 345.422 3.149 20 30 EGEDLO O=C(Nc1cnc2c(c1)CCCC2)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329488215 456898271 /nfs/dbraw/zinc/89/82/71/456898271.db2.gz YAKFCOSMNKXJHK-CQSZACIVSA-N 1 2 325.416 3.109 20 30 EGEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC12CCCCC2 ZINC000329598517 456914412 /nfs/dbraw/zinc/91/44/12/456914412.db2.gz DCNQVBUIQZJKDJ-HUUCEWRRSA-N 1 2 330.476 3.473 20 30 EGEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC12CCCCC2 ZINC000329598517 456914416 /nfs/dbraw/zinc/91/44/16/456914416.db2.gz DCNQVBUIQZJKDJ-HUUCEWRRSA-N 1 2 330.476 3.473 20 30 EGEDLO O=C(C[N@H+]1CCSC[C@H]1CO)N[C@@H](c1ccccc1)C1CCCC1 ZINC000329613605 456915478 /nfs/dbraw/zinc/91/54/78/456915478.db2.gz CTKQRRWUUQJYPX-MJGOQNOKSA-N 1 2 348.512 3.284 20 30 EGEDLO O=C(C[N@@H+]1CCSC[C@H]1CO)N[C@@H](c1ccccc1)C1CCCC1 ZINC000329613605 456915482 /nfs/dbraw/zinc/91/54/82/456915482.db2.gz CTKQRRWUUQJYPX-MJGOQNOKSA-N 1 2 348.512 3.284 20 30 EGEDLO Cc1ccc([C@@H]2C[C@H](C)N(C([O-])=[NH+][C@@H]3CCc4[nH]c[nH+]c4C3)C2)cc1 ZINC000329710146 456930581 /nfs/dbraw/zinc/93/05/81/456930581.db2.gz LZBCJYBGRALBQZ-USXIJHARSA-N 1 2 338.455 3.367 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1C[C@@H]3CCC[C@@H]3C1)C2 ZINC000329788653 456940611 /nfs/dbraw/zinc/94/06/11/456940611.db2.gz ZVWBRZRKKQELKQ-ZNMIVQPWSA-N 1 2 330.476 3.141 20 30 EGEDLO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)c1 ZINC000329830115 456947828 /nfs/dbraw/zinc/94/78/28/456947828.db2.gz JYYPOYUJUSLLKX-KFWWJZLASA-N 1 2 331.416 3.057 20 30 EGEDLO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)c1 ZINC000329830115 456947835 /nfs/dbraw/zinc/94/78/35/456947835.db2.gz JYYPOYUJUSLLKX-KFWWJZLASA-N 1 2 331.416 3.057 20 30 EGEDLO C=CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000339119842 456949565 /nfs/dbraw/zinc/94/95/65/456949565.db2.gz LGAYEOKVTXBHFU-HXUWFJFHSA-N 1 2 338.426 3.097 20 30 EGEDLO C=CC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000339119842 456949569 /nfs/dbraw/zinc/94/95/69/456949569.db2.gz LGAYEOKVTXBHFU-HXUWFJFHSA-N 1 2 338.426 3.097 20 30 EGEDLO CC1(C)C[C@H]([NH+]=C([O-])NC[C@H]2CCc3[nH+]ccn3C2)c2ccccc21 ZINC000329902759 456958339 /nfs/dbraw/zinc/95/83/39/456958339.db2.gz PQYOAJCCLDJZQG-PBHICJAKSA-N 1 2 338.455 3.372 20 30 EGEDLO CS[C@@H]1CCC[C@H](NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000329944966 456965083 /nfs/dbraw/zinc/96/50/83/456965083.db2.gz IRYKZBKZQFWALF-NUEKZKHPSA-N 1 2 335.473 3.123 20 30 EGEDLO C[C@@H]1CCN(C(=O)NCCOC2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000329954864 456966605 /nfs/dbraw/zinc/96/66/05/456966605.db2.gz NZYUNHGATQDQKQ-WBVHZDCISA-N 1 2 334.464 3.029 20 30 EGEDLO C[C@@H]1CCN(C([O-])=[NH+]CCOC2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000329954864 456966610 /nfs/dbraw/zinc/96/66/10/456966610.db2.gz NZYUNHGATQDQKQ-WBVHZDCISA-N 1 2 334.464 3.029 20 30 EGEDLO N#Cc1ccc(SCC(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)cc1 ZINC000349487934 456975796 /nfs/dbraw/zinc/97/57/96/456975796.db2.gz PFOZUBFHUFBBRC-UHFFFAOYSA-N 1 2 348.431 3.357 20 30 EGEDLO C=CCSc1ccccc1C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000345419884 456978928 /nfs/dbraw/zinc/97/89/28/456978928.db2.gz DHEFTHBYDHKRNX-UHFFFAOYSA-N 1 2 348.512 3.148 20 30 EGEDLO C=CCSc1ccccc1C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000345419884 456978932 /nfs/dbraw/zinc/97/89/32/456978932.db2.gz DHEFTHBYDHKRNX-UHFFFAOYSA-N 1 2 348.512 3.148 20 30 EGEDLO C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330103914 456985623 /nfs/dbraw/zinc/98/56/23/456985623.db2.gz HDURNAVEFIKYLB-GPMSIDNRSA-N 1 2 338.492 3.182 20 30 EGEDLO C[C@H](C(=O)NCC1CCCCC1)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330103914 456985627 /nfs/dbraw/zinc/98/56/27/456985627.db2.gz HDURNAVEFIKYLB-GPMSIDNRSA-N 1 2 338.492 3.182 20 30 EGEDLO COc1ccc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000349585397 456991787 /nfs/dbraw/zinc/99/17/87/456991787.db2.gz LIXZDDJIDCVCNU-UHFFFAOYSA-N 1 2 335.451 3.193 20 30 EGEDLO O=C(C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1)NC1CCCCC1 ZINC000330188214 456997923 /nfs/dbraw/zinc/99/79/23/456997923.db2.gz LAFYVBLWVXPDEM-OAHLLOKOSA-N 1 2 335.423 3.353 20 30 EGEDLO O=C(C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1)NC1CCCCC1 ZINC000330188214 456997926 /nfs/dbraw/zinc/99/79/26/456997926.db2.gz LAFYVBLWVXPDEM-OAHLLOKOSA-N 1 2 335.423 3.353 20 30 EGEDLO O=C(N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1)c1ccc2ccccc2c1 ZINC000330288289 457021707 /nfs/dbraw/zinc/02/17/07/457021707.db2.gz CWZOPALHQQMBAF-QZTJIDSGSA-N 1 2 337.423 3.338 20 30 EGEDLO O=C(N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1)c1ccc2ccccc2c1 ZINC000330288289 457021712 /nfs/dbraw/zinc/02/17/12/457021712.db2.gz CWZOPALHQQMBAF-QZTJIDSGSA-N 1 2 337.423 3.338 20 30 EGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)CCC(=O)NC2CCCC2)CCO1 ZINC000330322787 457026852 /nfs/dbraw/zinc/02/68/52/457026852.db2.gz HDXOOELQPWQNFQ-ZBFHGGJFSA-N 1 2 348.447 3.276 20 30 EGEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000346306633 457030370 /nfs/dbraw/zinc/03/03/70/457030370.db2.gz JQMQNIBDCXRTBZ-CYBMUJFWSA-N 1 2 344.436 3.492 20 30 EGEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000346306633 457030372 /nfs/dbraw/zinc/03/03/72/457030372.db2.gz JQMQNIBDCXRTBZ-CYBMUJFWSA-N 1 2 344.436 3.492 20 30 EGEDLO Cc1c(F)cccc1NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330356417 457034191 /nfs/dbraw/zinc/03/41/91/457034191.db2.gz ROGMICKBEFWYSW-WBMJQRKESA-N 1 2 332.379 3.114 20 30 EGEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2ncc(C#N)cc2Cl)c1 ZINC000339276330 457036401 /nfs/dbraw/zinc/03/64/01/457036401.db2.gz PBLVKGYUANQQAM-UHFFFAOYSA-N 1 2 337.770 3.259 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2cc(Br)cs2)CC1 ZINC000341977639 457037674 /nfs/dbraw/zinc/03/76/74/457037674.db2.gz MKJATXGRQGPMLZ-UHFFFAOYSA-N 1 2 329.263 3.263 20 30 EGEDLO COCC1(C#N)CC[NH+](CC(=O)Nc2cccc(C(C)C)c2)CC1 ZINC000341978611 457038290 /nfs/dbraw/zinc/03/82/90/457038290.db2.gz AOSQXOXWODHPGD-UHFFFAOYSA-N 1 2 329.444 3.001 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000339292452 457045020 /nfs/dbraw/zinc/04/50/20/457045020.db2.gz YCPHIIYNVCLUCU-ZDUSSCGKSA-N 1 2 327.428 3.048 20 30 EGEDLO COCC1(C#N)CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000341992533 457047146 /nfs/dbraw/zinc/04/71/46/457047146.db2.gz NALOFVTUDGGTEH-CQSZACIVSA-N 1 2 349.862 3.228 20 30 EGEDLO COCC1(C#N)CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2C)CC1 ZINC000341996146 457050432 /nfs/dbraw/zinc/05/04/32/457050432.db2.gz VMJBWXDBTNJSFX-CQSZACIVSA-N 1 2 349.862 3.228 20 30 EGEDLO COc1cc(C#N)ccc1C[N@@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000330699948 457071953 /nfs/dbraw/zinc/07/19/53/457071953.db2.gz YACOGKZKLLUIBN-UHFFFAOYSA-N 1 2 343.471 3.036 20 30 EGEDLO COc1cc(C#N)ccc1C[N@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000330699948 457071958 /nfs/dbraw/zinc/07/19/58/457071958.db2.gz YACOGKZKLLUIBN-UHFFFAOYSA-N 1 2 343.471 3.036 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000354121160 457078207 /nfs/dbraw/zinc/07/82/07/457078207.db2.gz QZFCOGFVOKCRQG-HZPDHXFCSA-N 1 2 334.435 3.012 20 30 EGEDLO O=C(NCCC(F)(F)F)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000330933817 457106407 /nfs/dbraw/zinc/10/64/07/457106407.db2.gz FQROSCFDVKLGOY-UHFFFAOYSA-N 1 2 330.354 3.028 20 30 EGEDLO C=C[C@@H](CO)NC(=O)Nc1cccc(-c2[nH+]ccn2CCCC)c1 ZINC000350176052 457168770 /nfs/dbraw/zinc/16/87/70/457168770.db2.gz RFDYXYMMCSMGDM-HNNXBMFYSA-N 1 2 328.416 3.019 20 30 EGEDLO CC(C)(CCC#N)CNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000350313184 457175277 /nfs/dbraw/zinc/17/52/77/457175277.db2.gz YGNOVCUFZGSDMS-UHFFFAOYSA-N 1 2 343.475 3.201 20 30 EGEDLO C=C(C)[C@H]1OCC[C@@H]1c1nc(Cn2c(CC)[nH+]c3ccccc32)no1 ZINC000347040832 457199077 /nfs/dbraw/zinc/19/90/77/457199077.db2.gz BHNPYECHOYHUCE-SCLBCKFNSA-N 1 2 338.411 3.479 20 30 EGEDLO CCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NC2(C#N)CCCCC2)o1 ZINC000331530980 457202578 /nfs/dbraw/zinc/20/25/78/457202578.db2.gz AYVLXTPMOYMJAO-INIZCTEOSA-N 1 2 329.444 3.322 20 30 EGEDLO CCc1ccc([C@@H]2CCC[N@H+]2CC(=O)NC2(C#N)CCCCC2)o1 ZINC000331530980 457202581 /nfs/dbraw/zinc/20/25/81/457202581.db2.gz AYVLXTPMOYMJAO-INIZCTEOSA-N 1 2 329.444 3.322 20 30 EGEDLO Cn1cc(Cl)cc1C[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000342353691 457252991 /nfs/dbraw/zinc/25/29/91/457252991.db2.gz DWUWDYIPVRYMDY-UHFFFAOYSA-N 1 2 341.802 3.232 20 30 EGEDLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000342353691 457252998 /nfs/dbraw/zinc/25/29/98/457252998.db2.gz DWUWDYIPVRYMDY-UHFFFAOYSA-N 1 2 341.802 3.232 20 30 EGEDLO C[N@@H+]1CC[C@H](Nc2nccc(C#N)c2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000342509095 457341760 /nfs/dbraw/zinc/34/17/60/457341760.db2.gz UUEVSLGRDMISIV-HOCLYGCPSA-N 1 2 348.784 3.164 20 30 EGEDLO C[N@H+]1CC[C@H](Nc2nccc(C#N)c2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000342509095 457341766 /nfs/dbraw/zinc/34/17/66/457341766.db2.gz UUEVSLGRDMISIV-HOCLYGCPSA-N 1 2 348.784 3.164 20 30 EGEDLO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352458311 457385035 /nfs/dbraw/zinc/38/50/35/457385035.db2.gz JAUWRNBQOUKATL-AWEZNQCLSA-N 1 2 343.402 3.280 20 30 EGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NCC(F)(F)F ZINC000355700932 457404095 /nfs/dbraw/zinc/40/40/95/457404095.db2.gz HCGIGXBUFUZNMP-SECBINFHSA-N 1 2 340.798 3.457 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NCC(F)(F)F ZINC000355700932 457404105 /nfs/dbraw/zinc/40/41/05/457404105.db2.gz HCGIGXBUFUZNMP-SECBINFHSA-N 1 2 340.798 3.457 20 30 EGEDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1cc2cccc(F)c2o1 ZINC000355731804 457409642 /nfs/dbraw/zinc/40/96/42/457409642.db2.gz QRQMFSOUCMXQIY-PIGZYNQJSA-N 1 2 337.354 3.321 20 30 EGEDLO Cc1[nH+]cn(-c2ccc(NC(=O)c3ccc(C#N)c(O)c3)cc2)c1C ZINC000360941100 457450119 /nfs/dbraw/zinc/45/01/19/457450119.db2.gz DTQLBXOZDTVQIH-UHFFFAOYSA-N 1 2 332.363 3.319 20 30 EGEDLO N#CC1(NC(=O)C[N@H+]2CCCC[C@H]2c2ccc(F)cc2F)CCC1 ZINC000363892503 457461477 /nfs/dbraw/zinc/46/14/77/457461477.db2.gz LZCSEBYOUHTGQU-INIZCTEOSA-N 1 2 333.382 3.054 20 30 EGEDLO N#CC1(NC(=O)C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2F)CCC1 ZINC000363892503 457461483 /nfs/dbraw/zinc/46/14/83/457461483.db2.gz LZCSEBYOUHTGQU-INIZCTEOSA-N 1 2 333.382 3.054 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000363954239 457467798 /nfs/dbraw/zinc/46/77/98/457467798.db2.gz VYUBWXBCVRBGDW-MOPGFXCFSA-N 1 2 344.418 3.175 20 30 EGEDLO Cc1cc(N2CCC3(CC2)OCCc2ccsc23)c(C#N)c[nH+]1 ZINC000425244947 457469949 /nfs/dbraw/zinc/46/99/49/457469949.db2.gz IDLDOQLAFQKULE-UHFFFAOYSA-N 1 2 325.437 3.392 20 30 EGEDLO Cc1cc(N2CCC(Oc3ccc(C#N)cc3F)CC2)c(C#N)c[nH+]1 ZINC000425256558 457472899 /nfs/dbraw/zinc/47/28/99/457472899.db2.gz RRBFUFYHUCESMG-UHFFFAOYSA-N 1 2 336.370 3.320 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425306170 457489603 /nfs/dbraw/zinc/48/96/03/457489603.db2.gz RUJLECCSGMJZED-SCTDSRPQSA-N 1 2 339.439 3.029 20 30 EGEDLO C=CCc1cc(C(=O)Nc2cccc3[nH+]ccn32)cc(OC)c1OC ZINC000357444792 457530674 /nfs/dbraw/zinc/53/06/74/457530674.db2.gz YQUIRDIEEAVKOC-UHFFFAOYSA-N 1 2 337.379 3.332 20 30 EGEDLO Cc1cc(NC(=O)C2(C#N)CCOCC2)c[nH+]c1N1CCCC[C@@H]1C ZINC000408158311 457561245 /nfs/dbraw/zinc/56/12/45/457561245.db2.gz NFGUUXCTPARCHW-HNNXBMFYSA-N 1 2 342.443 3.028 20 30 EGEDLO COC(=O)c1cnc([C@@H](C)[NH2+]CC#Cc2ccc(Cl)cc2)s1 ZINC000425493716 457575903 /nfs/dbraw/zinc/57/59/03/457575903.db2.gz WGVAMWMPTKFVNQ-LLVKDONJSA-N 1 2 334.828 3.285 20 30 EGEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000425515900 457582944 /nfs/dbraw/zinc/58/29/44/457582944.db2.gz XOWBIGLLDHLBPI-LQAWEQHXSA-N 1 2 342.345 3.422 20 30 EGEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000425515900 457582951 /nfs/dbraw/zinc/58/29/51/457582951.db2.gz XOWBIGLLDHLBPI-LQAWEQHXSA-N 1 2 342.345 3.422 20 30 EGEDLO COc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000370367786 457632468 /nfs/dbraw/zinc/63/24/68/457632468.db2.gz QMFJNRZLWDEBMA-ZDUSSCGKSA-N 1 2 334.379 3.468 20 30 EGEDLO Cc1ccccc1NC(=O)CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000361180539 457633002 /nfs/dbraw/zinc/63/30/02/457633002.db2.gz VUEWCODBHCRVTM-HXUWFJFHSA-N 1 2 349.434 3.269 20 30 EGEDLO Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000361180539 457633009 /nfs/dbraw/zinc/63/30/09/457633009.db2.gz VUEWCODBHCRVTM-HXUWFJFHSA-N 1 2 349.434 3.269 20 30 EGEDLO CC(C)(C#N)CC[N@@H+]1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000365186318 457729766 /nfs/dbraw/zinc/72/97/66/457729766.db2.gz XFLCQAYOURSMSA-HNNXBMFYSA-N 1 2 332.448 3.430 20 30 EGEDLO CC(C)(C#N)CC[N@H+]1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000365186318 457729768 /nfs/dbraw/zinc/72/97/68/457729768.db2.gz XFLCQAYOURSMSA-HNNXBMFYSA-N 1 2 332.448 3.430 20 30 EGEDLO CC[N@H+](CCC#N)C[C@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000357963714 457733995 /nfs/dbraw/zinc/73/39/95/457733995.db2.gz QOLVWPXRVGQXLO-KRWDZBQOSA-N 1 2 340.423 3.454 20 30 EGEDLO CC[N@@H+](CCC#N)C[C@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000357963714 457733998 /nfs/dbraw/zinc/73/39/98/457733998.db2.gz QOLVWPXRVGQXLO-KRWDZBQOSA-N 1 2 340.423 3.454 20 30 EGEDLO C=C[C@@H]1CCCCN1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000426078350 457770828 /nfs/dbraw/zinc/77/08/28/457770828.db2.gz RDQGSDUHUDCIIC-GOSISDBHSA-N 1 2 338.455 3.376 20 30 EGEDLO C=CC[N@H+](Cc1ccccc1F)[C@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000411190170 457825039 /nfs/dbraw/zinc/82/50/39/457825039.db2.gz UILFUBSSDGSNJG-OAHLLOKOSA-N 1 2 344.434 3.191 20 30 EGEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000411190170 457825047 /nfs/dbraw/zinc/82/50/47/457825047.db2.gz UILFUBSSDGSNJG-OAHLLOKOSA-N 1 2 344.434 3.191 20 30 EGEDLO C=CCC1(NC(=O)NCCc2cn3c([nH+]2)CCCC3)CCCCC1 ZINC000457804543 457834779 /nfs/dbraw/zinc/83/47/79/457834779.db2.gz WQWIAJFXHYIKHG-UHFFFAOYSA-N 1 2 330.476 3.340 20 30 EGEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000411353490 457863539 /nfs/dbraw/zinc/86/35/39/457863539.db2.gz WRLFGVQAXJXWCG-LBPRGKRZSA-N 1 2 333.482 3.413 20 30 EGEDLO COc1cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc(OC)c1 ZINC000371462298 457942367 /nfs/dbraw/zinc/94/23/67/457942367.db2.gz CARULKYHEDXQIP-FQEVSTJZSA-N 1 2 338.407 3.149 20 30 EGEDLO COc1cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc(OC)c1 ZINC000371462298 457942374 /nfs/dbraw/zinc/94/23/74/457942374.db2.gz CARULKYHEDXQIP-FQEVSTJZSA-N 1 2 338.407 3.149 20 30 EGEDLO Cc1cccn2c(CN3CCO[C@H](c4cccc(C#N)c4)C3)c[nH+]c12 ZINC000371461998 457943054 /nfs/dbraw/zinc/94/30/54/457943054.db2.gz AUNFTFBAMUDPPH-IBGZPJMESA-N 1 2 332.407 3.088 20 30 EGEDLO C=CC[N@@H+](CCOC)Cc1c(C(=O)OC)sc2cccc(F)c21 ZINC000362051115 458027118 /nfs/dbraw/zinc/02/71/18/458027118.db2.gz YJHMZGYYACUQTL-UHFFFAOYSA-N 1 2 337.416 3.461 20 30 EGEDLO C=CC[N@H+](CCOC)Cc1c(C(=O)OC)sc2cccc(F)c21 ZINC000362051115 458027121 /nfs/dbraw/zinc/02/71/21/458027121.db2.gz YJHMZGYYACUQTL-UHFFFAOYSA-N 1 2 337.416 3.461 20 30 EGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411978610 458031831 /nfs/dbraw/zinc/03/18/31/458031831.db2.gz HHVHOOWXXPRJDN-FQEVSTJZSA-N 1 2 336.366 3.307 20 30 EGEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411978610 458031835 /nfs/dbraw/zinc/03/18/35/458031835.db2.gz HHVHOOWXXPRJDN-FQEVSTJZSA-N 1 2 336.366 3.307 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)NCc1ccccc1 ZINC000371781501 458071597 /nfs/dbraw/zinc/07/15/97/458071597.db2.gz KYJXJCZRZWANHQ-UXHICEINSA-N 1 2 333.435 3.075 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccccc1 ZINC000371781501 458071600 /nfs/dbraw/zinc/07/16/00/458071600.db2.gz KYJXJCZRZWANHQ-UXHICEINSA-N 1 2 333.435 3.075 20 30 EGEDLO C=C[C@H](C)NC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000362370701 458131305 /nfs/dbraw/zinc/13/13/05/458131305.db2.gz MSFYEDWMZLJMQW-HNNXBMFYSA-N 1 2 336.439 3.018 20 30 EGEDLO C=CCOc1ccccc1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000369293991 458160671 /nfs/dbraw/zinc/16/06/71/458160671.db2.gz ODAQIXRRPSXZGE-UHFFFAOYSA-N 1 2 325.412 3.056 20 30 EGEDLO C=C(C)CCNC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000458995470 458239326 /nfs/dbraw/zinc/23/93/26/458239326.db2.gz GWIBOATYBJBQEM-MRXNPFEDSA-N 1 2 331.460 3.050 20 30 EGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000413583596 458304377 /nfs/dbraw/zinc/30/43/77/458304377.db2.gz BCNYILBAINUZHZ-DOTOQJQBSA-N 1 2 326.444 3.451 20 30 EGEDLO C#CCC1(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CCCCC1 ZINC000372693269 458320011 /nfs/dbraw/zinc/32/00/11/458320011.db2.gz VXDXBQOBRKNZST-QGZVFWFLSA-N 1 2 327.472 3.175 20 30 EGEDLO COc1ccc(C#N)cc1C[N@H+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429393255 458327602 /nfs/dbraw/zinc/32/76/02/458327602.db2.gz KXBIPHKFFPMEIE-GASCZTMLSA-N 1 2 343.471 3.034 20 30 EGEDLO COc1ccc(C#N)cc1C[N@@H+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429393255 458327605 /nfs/dbraw/zinc/32/76/05/458327605.db2.gz KXBIPHKFFPMEIE-GASCZTMLSA-N 1 2 343.471 3.034 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000376523681 458328114 /nfs/dbraw/zinc/32/81/14/458328114.db2.gz CFIGQCWMKSLATB-XJKSGUPXSA-N 1 2 335.245 3.322 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000376523681 458328118 /nfs/dbraw/zinc/32/81/18/458328118.db2.gz CFIGQCWMKSLATB-XJKSGUPXSA-N 1 2 335.245 3.322 20 30 EGEDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000429408519 458331049 /nfs/dbraw/zinc/33/10/49/458331049.db2.gz POWMSVRWYBUWPP-OKILXGFUSA-N 1 2 331.435 3.165 20 30 EGEDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000429408519 458331054 /nfs/dbraw/zinc/33/10/54/458331054.db2.gz POWMSVRWYBUWPP-OKILXGFUSA-N 1 2 331.435 3.165 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459360532 458343986 /nfs/dbraw/zinc/34/39/86/458343986.db2.gz OQCNXEQJRHJQEC-ROUUACIJSA-N 1 2 334.423 3.331 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459360532 458343990 /nfs/dbraw/zinc/34/39/90/458343990.db2.gz OQCNXEQJRHJQEC-ROUUACIJSA-N 1 2 334.423 3.331 20 30 EGEDLO CC(C)c1noc([C@@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)n1 ZINC000376594338 458348029 /nfs/dbraw/zinc/34/80/29/458348029.db2.gz DIBZKBAOJQGVRT-CQSZACIVSA-N 1 2 325.416 3.206 20 30 EGEDLO C=CCC[C@@H]([NH2+]Cc1ccc(C)cc1-c1cnn(C)c1)C(=O)OCC ZINC000449656932 458428364 /nfs/dbraw/zinc/42/83/64/458428364.db2.gz NBCIVJMOOOGKFH-LJQANCHMSA-N 1 2 341.455 3.383 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000459668744 458441498 /nfs/dbraw/zinc/44/14/98/458441498.db2.gz FNROYRQIOKYKRI-SCLBCKFNSA-N 1 2 333.863 3.141 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCc2cccc(Cl)c2C1 ZINC000459668744 458441502 /nfs/dbraw/zinc/44/15/02/458441502.db2.gz FNROYRQIOKYKRI-SCLBCKFNSA-N 1 2 333.863 3.141 20 30 EGEDLO N#Cc1ccc(N(CC[NH+]2CCOCC2)Cc2ccco2)cc1Cl ZINC000450943920 458460288 /nfs/dbraw/zinc/46/02/88/458460288.db2.gz UDAIOOLIOPLVNJ-UHFFFAOYSA-N 1 2 345.830 3.143 20 30 EGEDLO Cn1c2cc(F)ccc2[nH+]c1N1CCCN(c2ccccc2C#N)CC1 ZINC000431046269 458521348 /nfs/dbraw/zinc/52/13/48/458521348.db2.gz UIKRXYMZXUKBMX-UHFFFAOYSA-N 1 2 349.413 3.301 20 30 EGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373568437 458536005 /nfs/dbraw/zinc/53/60/05/458536005.db2.gz MYHOXLWGCMZUEE-UONOGXRCSA-N 1 2 340.452 3.336 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2sc(C)cc2Br)C1=O ZINC000453601481 458537592 /nfs/dbraw/zinc/53/75/92/458537592.db2.gz RRQVJVRYYNUJNF-GFCCVEGCSA-N 1 2 343.290 3.038 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2sc(C)cc2Br)C1=O ZINC000453601481 458537596 /nfs/dbraw/zinc/53/75/96/458537596.db2.gz RRQVJVRYYNUJNF-GFCCVEGCSA-N 1 2 343.290 3.038 20 30 EGEDLO CCOC(=O)C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C(C)C ZINC000469756413 458589694 /nfs/dbraw/zinc/58/96/94/458589694.db2.gz MFNKUEXANMQHQN-UHFFFAOYSA-N 1 2 327.346 3.330 20 30 EGEDLO CCOC(=O)C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C(C)C ZINC000469756413 458589701 /nfs/dbraw/zinc/58/97/01/458589701.db2.gz MFNKUEXANMQHQN-UHFFFAOYSA-N 1 2 327.346 3.330 20 30 EGEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000455807709 458616723 /nfs/dbraw/zinc/61/67/23/458616723.db2.gz ZGURNLILHCCRNC-CYBMUJFWSA-N 1 2 341.415 3.142 20 30 EGEDLO C[C@@]([NH2+]Cc1ccc(C#N)cc1Cl)(C(N)=O)c1cccc(Cl)c1 ZINC000439433228 458702247 /nfs/dbraw/zinc/70/22/47/458702247.db2.gz YYFRYKIGBIEEQN-KRWDZBQOSA-N 1 2 348.233 3.355 20 30 EGEDLO C=CCn1c(SCc2c[nH+]cn2C)nnc1-c1ccc(F)cc1 ZINC000439546451 458723967 /nfs/dbraw/zinc/72/39/67/458723967.db2.gz IYHSLCKYTBAUEG-UHFFFAOYSA-N 1 2 329.404 3.296 20 30 EGEDLO CC#CCCCC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000508318546 458757775 /nfs/dbraw/zinc/75/77/75/458757775.db2.gz MGJKPNCVPRWAFQ-GOSISDBHSA-N 1 2 342.483 3.312 20 30 EGEDLO CC#CCCCC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000508318546 458757781 /nfs/dbraw/zinc/75/77/81/458757781.db2.gz MGJKPNCVPRWAFQ-GOSISDBHSA-N 1 2 342.483 3.312 20 30 EGEDLO CC(C)(C)CCNC(=O)C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000464819874 458778554 /nfs/dbraw/zinc/77/85/54/458778554.db2.gz CYWGMYCBQRISGL-QZTJIDSGSA-N 1 2 327.472 3.311 20 30 EGEDLO CC(C)(C)CCNC(=O)C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000464819874 458778561 /nfs/dbraw/zinc/77/85/61/458778561.db2.gz CYWGMYCBQRISGL-QZTJIDSGSA-N 1 2 327.472 3.311 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)NCCC(C)(C)C)Cc1cnn(C(C)C)c1 ZINC000512522481 458785866 /nfs/dbraw/zinc/78/58/66/458785866.db2.gz UZLYWJXRBTXISG-UHFFFAOYSA-N 1 2 334.508 3.395 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)NCCC(C)(C)C)Cc1cnn(C(C)C)c1 ZINC000512522481 458785872 /nfs/dbraw/zinc/78/58/72/458785872.db2.gz UZLYWJXRBTXISG-UHFFFAOYSA-N 1 2 334.508 3.395 20 30 EGEDLO C=C(CC)CNC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000456813041 458789311 /nfs/dbraw/zinc/78/93/11/458789311.db2.gz OWYMDWWHTKMZNU-UHFFFAOYSA-N 1 2 339.439 3.239 20 30 EGEDLO CC[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)C[C@H](C)C#N ZINC000513376844 458793733 /nfs/dbraw/zinc/79/37/33/458793733.db2.gz QJWHUFWALHXUAR-DNVCBOLYSA-N 1 2 341.480 3.435 20 30 EGEDLO CC[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)C[C@H](C)C#N ZINC000513376844 458793740 /nfs/dbraw/zinc/79/37/40/458793740.db2.gz QJWHUFWALHXUAR-DNVCBOLYSA-N 1 2 341.480 3.435 20 30 EGEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000517070739 458825197 /nfs/dbraw/zinc/82/51/97/458825197.db2.gz SMEMDVHVPWWTMF-HNNXBMFYSA-N 1 2 344.352 3.367 20 30 EGEDLO C=CC[N@H+](Cc1ccccc1F)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000517070739 458825200 /nfs/dbraw/zinc/82/52/00/458825200.db2.gz SMEMDVHVPWWTMF-HNNXBMFYSA-N 1 2 344.352 3.367 20 30 EGEDLO N#CC1(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CCC1 ZINC000518500745 458872038 /nfs/dbraw/zinc/87/20/38/458872038.db2.gz YDDIXXOHXHDQCB-ZWKOTPCHSA-N 1 2 349.438 3.105 20 30 EGEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000550128447 458884818 /nfs/dbraw/zinc/88/48/18/458884818.db2.gz DIIZYISDFOQWJK-OAHLLOKOSA-N 1 2 342.439 3.400 20 30 EGEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000550128447 458884820 /nfs/dbraw/zinc/88/48/20/458884820.db2.gz DIIZYISDFOQWJK-OAHLLOKOSA-N 1 2 342.439 3.400 20 30 EGEDLO CC#CC[N@@H+](C)CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000555750948 458909602 /nfs/dbraw/zinc/90/96/02/458909602.db2.gz LGNMDBCOKZUCIZ-LJQANCHMSA-N 1 2 328.456 3.094 20 30 EGEDLO CC#CC[N@H+](C)CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000555750948 458909607 /nfs/dbraw/zinc/90/96/07/458909607.db2.gz LGNMDBCOKZUCIZ-LJQANCHMSA-N 1 2 328.456 3.094 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCCCC1 ZINC000466635381 458910393 /nfs/dbraw/zinc/91/03/93/458910393.db2.gz WTPRYIJJXCMOEQ-HNNXBMFYSA-N 1 2 348.491 3.399 20 30 EGEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000519059707 458911410 /nfs/dbraw/zinc/91/14/10/458911410.db2.gz MXVYHMVLRXAWEU-CYBMUJFWSA-N 1 2 332.363 3.354 20 30 EGEDLO Cc1cccc([C@H]2C(=O)NCC[N@H+]2Cc2ccccc2C(C)(C)C#N)c1 ZINC000576838841 458932199 /nfs/dbraw/zinc/93/21/99/458932199.db2.gz VNIOGCOXSINNOU-FQEVSTJZSA-N 1 2 347.462 3.469 20 30 EGEDLO Cc1cccc([C@H]2C(=O)NCC[N@@H+]2Cc2ccccc2C(C)(C)C#N)c1 ZINC000576838841 458932203 /nfs/dbraw/zinc/93/22/03/458932203.db2.gz VNIOGCOXSINNOU-FQEVSTJZSA-N 1 2 347.462 3.469 20 30 EGEDLO CCN1CCN(c2cccc(C(F)F)c2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000566927160 459022145 /nfs/dbraw/zinc/02/21/45/459022145.db2.gz VQCHYLYRDMCTOV-HNNXBMFYSA-N 1 2 331.370 3.102 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](Cc2ccccn2)Cc2ccccc2C)C1=O ZINC000577735051 459085739 /nfs/dbraw/zinc/08/57/39/459085739.db2.gz UBAXTYSFZNGBAK-HXUWFJFHSA-N 1 2 335.451 3.179 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](Cc2ccccn2)Cc2ccccc2C)C1=O ZINC000577735051 459085744 /nfs/dbraw/zinc/08/57/44/459085744.db2.gz UBAXTYSFZNGBAK-HXUWFJFHSA-N 1 2 335.451 3.179 20 30 EGEDLO N#C[C@H]1CC[C@@H](NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000567741534 459157964 /nfs/dbraw/zinc/15/79/64/459157964.db2.gz CTPUCVXRDJGZSB-QNDJGXFYSA-N 1 2 349.438 3.103 20 30 EGEDLO CC[C@H](C)[N@@H+](Cc1ccc(C#N)cn1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000567747849 459160611 /nfs/dbraw/zinc/16/06/11/459160611.db2.gz BLLHKYCFUCLJKL-AWEZNQCLSA-N 1 2 347.422 3.403 20 30 EGEDLO CC[C@H](C)[N@H+](Cc1ccc(C#N)cn1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000567747849 459160616 /nfs/dbraw/zinc/16/06/16/459160616.db2.gz BLLHKYCFUCLJKL-AWEZNQCLSA-N 1 2 347.422 3.403 20 30 EGEDLO N#C[C@@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CCCCC1 ZINC000579974216 459254968 /nfs/dbraw/zinc/25/49/68/459254968.db2.gz MEOUDPUTIFRTGK-LJQANCHMSA-N 1 2 336.439 3.063 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1csc(-c2ccccc2Cl)n1 ZINC000580836994 459265260 /nfs/dbraw/zinc/26/52/60/459265260.db2.gz NIWJCCSZKRCGBW-INIZCTEOSA-N 1 2 348.859 3.037 20 30 EGEDLO CC[C@@]1(C)COCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000534119141 459291013 /nfs/dbraw/zinc/29/10/13/459291013.db2.gz ZESVOYXFWFJGPR-INIZCTEOSA-N 1 2 327.346 3.438 20 30 EGEDLO CC[C@@]1(C)COCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000534119141 459291016 /nfs/dbraw/zinc/29/10/16/459291016.db2.gz ZESVOYXFWFJGPR-INIZCTEOSA-N 1 2 327.346 3.438 20 30 EGEDLO CC1(C)C[N@H+](CC#Cc2ccccc2Cl)C[C@]2(CCCOC2)O1 ZINC000483349091 459362105 /nfs/dbraw/zinc/36/21/05/459362105.db2.gz XCLWPTOOFMBQAE-IBGZPJMESA-N 1 2 333.859 3.352 20 30 EGEDLO CC1(C)C[N@@H+](CC#Cc2ccccc2Cl)C[C@]2(CCCOC2)O1 ZINC000483349091 459362109 /nfs/dbraw/zinc/36/21/09/459362109.db2.gz XCLWPTOOFMBQAE-IBGZPJMESA-N 1 2 333.859 3.352 20 30 EGEDLO CC#CCCNC(=O)N1CC[NH+]([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000483424732 459368366 /nfs/dbraw/zinc/36/83/66/459368366.db2.gz WDCWALZAMPOVSD-GOSISDBHSA-N 1 2 349.425 3.157 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C1 ZINC000595617121 459370365 /nfs/dbraw/zinc/37/03/65/459370365.db2.gz USXNDEUEEORFAL-SNVBAGLBSA-N 1 2 336.317 3.280 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C1 ZINC000595617121 459370370 /nfs/dbraw/zinc/37/03/70/459370370.db2.gz USXNDEUEEORFAL-SNVBAGLBSA-N 1 2 336.317 3.280 20 30 EGEDLO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595616515 459370833 /nfs/dbraw/zinc/37/08/33/459370833.db2.gz RMRMBGRROZSJIE-NEPJUHHUSA-N 1 2 346.431 3.388 20 30 EGEDLO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595616515 459370840 /nfs/dbraw/zinc/37/08/40/459370840.db2.gz RMRMBGRROZSJIE-NEPJUHHUSA-N 1 2 346.431 3.388 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCSc1ccc(Cl)cc1 ZINC000582608131 459395258 /nfs/dbraw/zinc/39/52/58/459395258.db2.gz BPAHXXPJQVEPSU-INIZCTEOSA-N 1 2 339.892 3.172 20 30 EGEDLO CN(C(=O)C[N@@H+]1CC[C@@H]1c1ccc(F)cc1)C1(C#N)CCCCC1 ZINC000595700635 459403686 /nfs/dbraw/zinc/40/36/86/459403686.db2.gz CTADSPYFYOBFOA-QGZVFWFLSA-N 1 2 329.419 3.257 20 30 EGEDLO CN(C(=O)C[N@H+]1CC[C@@H]1c1ccc(F)cc1)C1(C#N)CCCCC1 ZINC000595700635 459403693 /nfs/dbraw/zinc/40/36/93/459403693.db2.gz CTADSPYFYOBFOA-QGZVFWFLSA-N 1 2 329.419 3.257 20 30 EGEDLO CC(C)(C)C(C)(C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000561044015 459414603 /nfs/dbraw/zinc/41/46/03/459414603.db2.gz SWGDQJPEWLNAGR-UHFFFAOYSA-N 1 2 327.472 3.275 20 30 EGEDLO COC[C@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(C(F)(F)F)c1 ZINC000591740818 459428505 /nfs/dbraw/zinc/42/85/05/459428505.db2.gz NKVLQZHUJAYIEY-WFASDCNBSA-N 1 2 325.334 3.426 20 30 EGEDLO Cc1cc(Oc2ccccc2)ccc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000591773918 459432544 /nfs/dbraw/zinc/43/25/44/459432544.db2.gz CNPGKGZLADMRSE-KRWDZBQOSA-N 1 2 339.439 3.406 20 30 EGEDLO Cc1cc(Oc2ccccc2)ccc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000591773918 459432551 /nfs/dbraw/zinc/43/25/51/459432551.db2.gz CNPGKGZLADMRSE-KRWDZBQOSA-N 1 2 339.439 3.406 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](CC(=O)Nc1ccc(F)c(C#N)c1)C(F)(F)F ZINC000561226347 459433613 /nfs/dbraw/zinc/43/36/13/459433613.db2.gz ZMIUBVIMBDTSDD-LLVKDONJSA-N 1 2 340.280 3.106 20 30 EGEDLO Cc1cc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000497201619 459483531 /nfs/dbraw/zinc/48/35/31/459483531.db2.gz KTRUWFMGABVQIY-OAHLLOKOSA-N 1 2 330.432 3.097 20 30 EGEDLO Cc1cc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000497211934 459489044 /nfs/dbraw/zinc/48/90/44/459489044.db2.gz FGGWZQHZAMMWAR-GJZGRUSLSA-N 1 2 344.459 3.391 20 30 EGEDLO N#CCCC1CC[NH+](Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)CC1 ZINC000592135503 459531962 /nfs/dbraw/zinc/53/19/62/459531962.db2.gz IUBFEBMVRSHPGD-UHFFFAOYSA-N 1 2 342.468 3.401 20 30 EGEDLO Cc1ccccc1Nc1nc(C[N@@H+]2CC[C@@](O)(CC#N)C2)cs1 ZINC000592145924 459536796 /nfs/dbraw/zinc/53/67/96/459536796.db2.gz BHPUYQDTXGSLEB-KRWDZBQOSA-N 1 2 328.441 3.046 20 30 EGEDLO Cc1ccccc1Nc1nc(C[N@H+]2CC[C@@](O)(CC#N)C2)cs1 ZINC000592145924 459536800 /nfs/dbraw/zinc/53/68/00/459536800.db2.gz BHPUYQDTXGSLEB-KRWDZBQOSA-N 1 2 328.441 3.046 20 30 EGEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1nnc(-c2sccc2C)o1 ZINC000489485808 459564894 /nfs/dbraw/zinc/56/48/94/459564894.db2.gz RCFUBHICULMMBY-GFCCVEGCSA-N 1 2 332.429 3.086 20 30 EGEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1nnc(-c2sccc2C)o1 ZINC000489485808 459564899 /nfs/dbraw/zinc/56/48/99/459564899.db2.gz RCFUBHICULMMBY-GFCCVEGCSA-N 1 2 332.429 3.086 20 30 EGEDLO C[NH+](C)[C@H](CNC(=O)[C@]1(C#N)CC12CCCC2)c1c(F)cccc1F ZINC000571867171 459574153 /nfs/dbraw/zinc/57/41/53/459574153.db2.gz DNMJNHDUBXXDON-DNVCBOLYSA-N 1 2 347.409 3.158 20 30 EGEDLO C#CCN(CC)C(=O)c1cccc(OCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000490556824 459579053 /nfs/dbraw/zinc/57/90/53/459579053.db2.gz YOGJTWYDMCJJMW-UHFFFAOYSA-N 1 2 347.418 3.317 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1OC)c1ccc(F)cc1 ZINC000491474996 459629356 /nfs/dbraw/zinc/62/93/56/459629356.db2.gz RRIFASYTEXLOHV-MRXNPFEDSA-N 1 2 329.371 3.316 20 30 EGEDLO N#C[C@H](NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000491520960 459633765 /nfs/dbraw/zinc/63/37/65/459633765.db2.gz QXEIEFUVSBXFOT-OHSBUDFJSA-N 1 2 346.365 3.406 20 30 EGEDLO C#C[C@H](CCC)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000491778353 459672535 /nfs/dbraw/zinc/67/25/35/459672535.db2.gz IRPPMPGOFMAIPB-HZPDHXFCSA-N 1 2 344.846 3.264 20 30 EGEDLO Cc1c(CSC(C)C)cccc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000563005668 459693327 /nfs/dbraw/zinc/69/33/27/459693327.db2.gz UHURBHFYNOGGSO-QGZVFWFLSA-N 1 2 335.517 3.255 20 30 EGEDLO Cc1c(CSC(C)C)cccc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000563005668 459693333 /nfs/dbraw/zinc/69/33/33/459693333.db2.gz UHURBHFYNOGGSO-QGZVFWFLSA-N 1 2 335.517 3.255 20 30 EGEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000492485903 459706811 /nfs/dbraw/zinc/70/68/11/459706811.db2.gz ARAYTGVXZWIJSO-UZYOAWRESA-N 1 2 348.328 3.316 20 30 EGEDLO N#CC1(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCCCC1 ZINC000596664963 459720981 /nfs/dbraw/zinc/72/09/81/459720981.db2.gz UXOBEPGMAMASBU-UHFFFAOYSA-N 1 2 341.455 3.321 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000592945232 459722041 /nfs/dbraw/zinc/72/20/41/459722041.db2.gz GRASMCOVBYOOTP-UONOGXRCSA-N 1 2 340.452 3.478 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ncc(Cc2cccc(C)c2)s1 ZINC000563365393 459764155 /nfs/dbraw/zinc/76/41/55/459764155.db2.gz CGHCQLHEJVLCRW-OAHLLOKOSA-N 1 2 342.468 3.263 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000574274705 459800534 /nfs/dbraw/zinc/80/05/34/459800534.db2.gz PHLKQOHPLATKJV-QWHCGFSZSA-N 1 2 347.846 3.182 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000574274705 459800538 /nfs/dbraw/zinc/80/05/38/459800538.db2.gz PHLKQOHPLATKJV-QWHCGFSZSA-N 1 2 347.846 3.182 20 30 EGEDLO C[C@@](O)(C1CC[NH+](Cc2cccc(C#N)c2F)CC1)C(F)(F)F ZINC000545225647 459812966 /nfs/dbraw/zinc/81/29/66/459812966.db2.gz WWXKGERVTNXEIU-OAHLLOKOSA-N 1 2 330.325 3.223 20 30 EGEDLO CC(C)Oc1cccc([C@H]([NH2+]C2CCN(CC#N)CC2)C(F)F)c1 ZINC000585725247 459837600 /nfs/dbraw/zinc/83/76/00/459837600.db2.gz KNAABFQRYBQMQA-KRWDZBQOSA-N 1 2 337.414 3.358 20 30 EGEDLO COc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c(Br)c1O ZINC000597178062 459863060 /nfs/dbraw/zinc/86/30/60/459863060.db2.gz UZHZUKPAILOJGC-NSHDSACASA-N 1 2 339.233 3.289 20 30 EGEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000598588485 459956227 /nfs/dbraw/zinc/95/62/27/459956227.db2.gz APMARMPQTZGSQZ-CZUORRHYSA-N 1 2 340.826 3.153 20 30 EGEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000598588485 459956232 /nfs/dbraw/zinc/95/62/32/459956232.db2.gz APMARMPQTZGSQZ-CZUORRHYSA-N 1 2 340.826 3.153 20 30 EGEDLO C=CC1CC[NH+](CC(=O)Nc2cc(C)c(C(=O)OCC)s2)CC1 ZINC000609540601 459979185 /nfs/dbraw/zinc/97/91/85/459979185.db2.gz QMMOBWGKPZWGCI-UHFFFAOYSA-N 1 2 336.457 3.070 20 30 EGEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCS[C@@H](c3ccccc3)C2)c1 ZINC000609800319 460021634 /nfs/dbraw/zinc/02/16/34/460021634.db2.gz AVVVTXTWKIQYSG-GOSISDBHSA-N 1 2 337.448 3.287 20 30 EGEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCS[C@@H](c3ccccc3)C2)c1 ZINC000609800319 460021639 /nfs/dbraw/zinc/02/16/39/460021639.db2.gz AVVVTXTWKIQYSG-GOSISDBHSA-N 1 2 337.448 3.287 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(CCc3noc4ccccc43)CC2)cc1 ZINC000593943267 460021653 /nfs/dbraw/zinc/02/16/53/460021653.db2.gz LMOQQECEAUXREL-UHFFFAOYSA-N 1 2 346.434 3.060 20 30 EGEDLO CC(C)C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccc(Cl)cc1 ZINC000598836571 460058792 /nfs/dbraw/zinc/05/87/92/460058792.db2.gz NCDYZUSRLSOMQM-SJLPKXTDSA-N 1 2 335.879 3.430 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](OC3CCC3)C2)c(C#N)c1C ZINC000594026125 460062460 /nfs/dbraw/zinc/06/24/60/460062460.db2.gz DCRXTJWLZCDFGQ-OAHLLOKOSA-N 1 2 347.484 3.209 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](OC3CCC3)C2)c(C#N)c1C ZINC000594026125 460062463 /nfs/dbraw/zinc/06/24/63/460062463.db2.gz DCRXTJWLZCDFGQ-OAHLLOKOSA-N 1 2 347.484 3.209 20 30 EGEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cccc(C#N)n3)CC2)cc1 ZINC000589256394 460062972 /nfs/dbraw/zinc/06/29/72/460062972.db2.gz AEYREYMGSVFCHO-UHFFFAOYSA-N 1 2 348.450 3.035 20 30 EGEDLO Cc1cc(N2CCN([C@@H](C#N)c3ccccc3)CC2)nc(C(C)C)[nH+]1 ZINC000610339893 460125330 /nfs/dbraw/zinc/12/53/30/460125330.db2.gz HZVGBJJBUFUVOW-SFHVURJKSA-N 1 2 335.455 3.295 20 30 EGEDLO CCc1nnc(N(C)CCc2[nH]c3ccccc3[nH+]2)c(C#N)c1CC ZINC000599091654 460158143 /nfs/dbraw/zinc/15/81/43/460158143.db2.gz KZWLGRJSYICKSV-UHFFFAOYSA-N 1 2 334.427 3.028 20 30 EGEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000602868238 460164975 /nfs/dbraw/zinc/16/49/75/460164975.db2.gz IKDJVDNCLMQFOY-CQSZACIVSA-N 1 2 340.452 3.204 20 30 EGEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000602868237 460165295 /nfs/dbraw/zinc/16/52/95/460165295.db2.gz IKDJVDNCLMQFOY-AWEZNQCLSA-N 1 2 340.452 3.204 20 30 EGEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCCCCNc1cccc[nH+]1 ZINC000618853299 460198451 /nfs/dbraw/zinc/19/84/51/460198451.db2.gz JEXNREIKQDVPQA-SFHVURJKSA-N 1 2 349.438 3.132 20 30 EGEDLO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000614924875 460247179 /nfs/dbraw/zinc/24/71/79/460247179.db2.gz OMHLMEUAFJSVQI-MRXNPFEDSA-N 1 2 337.345 3.354 20 30 EGEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000614924875 460247186 /nfs/dbraw/zinc/24/71/86/460247186.db2.gz OMHLMEUAFJSVQI-MRXNPFEDSA-N 1 2 337.345 3.354 20 30 EGEDLO Cc1ccc(C[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C2CC2)o1 ZINC000610927206 460262257 /nfs/dbraw/zinc/26/22/57/460262257.db2.gz GABGAMMACSQUME-UHFFFAOYSA-N 1 2 327.384 3.273 20 30 EGEDLO Cc1ccc(C[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C2CC2)o1 ZINC000610927206 460262262 /nfs/dbraw/zinc/26/22/62/460262262.db2.gz GABGAMMACSQUME-UHFFFAOYSA-N 1 2 327.384 3.273 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000611177139 460301145 /nfs/dbraw/zinc/30/11/45/460301145.db2.gz ZAPYYMYFSONESP-GXSJLCMTSA-N 1 2 345.752 3.423 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000611177139 460301150 /nfs/dbraw/zinc/30/11/50/460301150.db2.gz ZAPYYMYFSONESP-GXSJLCMTSA-N 1 2 345.752 3.423 20 30 EGEDLO N#Cc1ccc(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000619827400 460452177 /nfs/dbraw/zinc/45/21/77/460452177.db2.gz ITKCADORGFMMOW-CQSZACIVSA-N 1 2 343.818 3.024 20 30 EGEDLO CC#CC[NH2+]Cc1cn(CCCc2ccc(C(F)(F)F)cc2)nn1 ZINC000641126645 461129576 /nfs/dbraw/zinc/12/95/76/461129576.db2.gz KRGIBROQJPGYEA-UHFFFAOYSA-N 1 2 336.361 3.043 20 30 EGEDLO C=CCCC(C)(C)NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000663485121 461668652 /nfs/dbraw/zinc/66/86/52/461668652.db2.gz YUDFFNOEHUXEHD-UHFFFAOYSA-N 1 2 345.487 3.063 20 30 EGEDLO C=CCCn1cc(C[N@H+](C)CCCOc2cccc(Cl)c2)nn1 ZINC000653502549 461678324 /nfs/dbraw/zinc/67/83/24/461678324.db2.gz HTAAZYHJOVIMIA-UHFFFAOYSA-N 1 2 334.851 3.409 20 30 EGEDLO C=CCCn1cc(C[N@@H+](C)CCCOc2cccc(Cl)c2)nn1 ZINC000653502549 461678334 /nfs/dbraw/zinc/67/83/34/461678334.db2.gz HTAAZYHJOVIMIA-UHFFFAOYSA-N 1 2 334.851 3.409 20 30 EGEDLO C=CCCn1cc(C[N@@H+](C)[C@H](COC)c2ccc(Cl)cc2)nn1 ZINC000653649311 461784391 /nfs/dbraw/zinc/78/43/91/461784391.db2.gz YWRCWJZLFHTADF-QGZVFWFLSA-N 1 2 334.851 3.327 20 30 EGEDLO C=CCCn1cc(C[N@H+](C)[C@H](COC)c2ccc(Cl)cc2)nn1 ZINC000653649311 461784397 /nfs/dbraw/zinc/78/43/97/461784397.db2.gz YWRCWJZLFHTADF-QGZVFWFLSA-N 1 2 334.851 3.327 20 30 EGEDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000660749506 461951825 /nfs/dbraw/zinc/95/18/25/461951825.db2.gz XJEYIZISDPYLGP-UHFFFAOYSA-N 1 2 349.356 3.386 20 30 EGEDLO COCC#CC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000644713784 462047875 /nfs/dbraw/zinc/04/78/75/462047875.db2.gz KHTZUCZXFRLHFK-BBRMVZONSA-N 1 2 327.346 3.117 20 30 EGEDLO COCC#CC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000644713784 462047879 /nfs/dbraw/zinc/04/78/79/462047879.db2.gz KHTZUCZXFRLHFK-BBRMVZONSA-N 1 2 327.346 3.117 20 30 EGEDLO C=CCOCC[N@H+]1CCOC[C@H]1c1c(C)nn(-c2ccccc2)c1C ZINC000645112286 462183609 /nfs/dbraw/zinc/18/36/09/462183609.db2.gz IAPLYEYCECTZDV-IBGZPJMESA-N 1 2 341.455 3.065 20 30 EGEDLO C=CCOCC[N@@H+]1CCOC[C@H]1c1c(C)nn(-c2ccccc2)c1C ZINC000645112286 462183614 /nfs/dbraw/zinc/18/36/14/462183614.db2.gz IAPLYEYCECTZDV-IBGZPJMESA-N 1 2 341.455 3.065 20 30 EGEDLO C=CC[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000661380679 462225576 /nfs/dbraw/zinc/22/55/76/462225576.db2.gz IKSZMDPJQXGHGK-SWLSCSKDSA-N 1 2 337.261 3.264 20 30 EGEDLO C=CC[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000661380679 462225582 /nfs/dbraw/zinc/22/55/82/462225582.db2.gz IKSZMDPJQXGHGK-SWLSCSKDSA-N 1 2 337.261 3.264 20 30 EGEDLO C=C[C@H](CO)[NH2+]Cc1csc(N(C(C)=O)c2ccccc2CC)n1 ZINC000662165730 462533526 /nfs/dbraw/zinc/53/35/26/462533526.db2.gz NIHZXFUGNGZIJF-OAHLLOKOSA-N 1 2 345.468 3.027 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000187195907 527532965 /nfs/dbraw/zinc/53/29/65/527532965.db2.gz UKVRXOVIAZNIQZ-FQEVSTJZSA-N 1 2 345.487 3.307 20 30 EGEDLO Cn1c[nH+]cc1CNC(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000350174688 547655871 /nfs/dbraw/zinc/65/58/71/547655871.db2.gz LMBPGCBBRBTAEO-UHFFFAOYSA-N 1 2 330.391 3.142 20 30 EGEDLO CC(=[NH+]Nc1ccc(C#N)c(C(F)(F)F)c1)c1csc(N)n1 ZINC000726425745 574553727 /nfs/dbraw/zinc/55/37/27/574553727.db2.gz FCYQODHQKZSCHC-UHFFFAOYSA-N 1 2 325.319 3.452 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+]2CCC[C@H]2CC)c1=S ZINC000727824479 574692064 /nfs/dbraw/zinc/69/20/64/574692064.db2.gz QBVNHQJVOOCGCM-OAHLLOKOSA-N 1 2 329.473 3.494 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+]2CCC[C@H]2CC)c1=S ZINC000727824479 574692066 /nfs/dbraw/zinc/69/20/66/574692066.db2.gz QBVNHQJVOOCGCM-OAHLLOKOSA-N 1 2 329.473 3.494 20 30 EGEDLO Cc1ccc(Cl)c2c1NC(=O)C2=NNc1cc[nH+]c2ccccc12 ZINC000730148274 574925862 /nfs/dbraw/zinc/92/58/62/574925862.db2.gz PEGYCWPVZYQFHT-UHFFFAOYSA-N 1 2 336.782 3.387 20 30 EGEDLO C#CCOc1cccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000731011572 575044261 /nfs/dbraw/zinc/04/42/61/575044261.db2.gz VSLGLXYMVFCAAK-UHFFFAOYSA-N 1 2 331.375 3.196 20 30 EGEDLO C#CCOc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000731111835 575055356 /nfs/dbraw/zinc/05/53/56/575055356.db2.gz LDPBCULWKCTFDB-UHFFFAOYSA-N 1 2 346.390 3.206 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)c1=S ZINC000742165877 576754128 /nfs/dbraw/zinc/75/41/28/576754128.db2.gz LWUDNZHNCBOSKP-ZBFHGGJFSA-N 1 2 329.473 3.078 20 30 EGEDLO C=CCn1nnn(C[N@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)c1=S ZINC000742165877 576754129 /nfs/dbraw/zinc/75/41/29/576754129.db2.gz LWUDNZHNCBOSKP-ZBFHGGJFSA-N 1 2 329.473 3.078 20 30 EGEDLO C#CC[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)Cc1ccc(F)cc1 ZINC000744208709 576823089 /nfs/dbraw/zinc/82/30/89/576823089.db2.gz DGIRSKCFSURCRK-AZUAARDMSA-N 1 2 342.458 3.442 20 30 EGEDLO C#CC[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)Cc1ccc(F)cc1 ZINC000744208709 576823090 /nfs/dbraw/zinc/82/30/90/576823090.db2.gz DGIRSKCFSURCRK-AZUAARDMSA-N 1 2 342.458 3.442 20 30 EGEDLO C#CC[N@@H+](CC(=O)Nc1ccc(C)cc1F)Cc1ccc(F)cc1 ZINC000744209095 576823175 /nfs/dbraw/zinc/82/31/75/576823175.db2.gz TUVUQRGNXOCNHB-UHFFFAOYSA-N 1 2 328.362 3.347 20 30 EGEDLO C#CC[N@H+](CC(=O)Nc1ccc(C)cc1F)Cc1ccc(F)cc1 ZINC000744209095 576823176 /nfs/dbraw/zinc/82/31/76/576823176.db2.gz TUVUQRGNXOCNHB-UHFFFAOYSA-N 1 2 328.362 3.347 20 30 EGEDLO C[N@@H+](Cc1cccc(C#N)c1)Cn1c2ccc(Cl)cc2oc1=O ZINC000025478199 1291257347 /nfs/dbraw/zinc/25/73/47/1291257347.db2.gz GMHADQBYWCHGNE-UHFFFAOYSA-N 1 2 327.771 3.209 20 30 EGEDLO C[N@H+](Cc1cccc(C#N)c1)Cn1c2ccc(Cl)cc2oc1=O ZINC000025478199 1291257351 /nfs/dbraw/zinc/25/73/51/1291257351.db2.gz GMHADQBYWCHGNE-UHFFFAOYSA-N 1 2 327.771 3.209 20 30 EGEDLO Cc1cccc(C)c1NC(=O)[C@H](C)O[NH+]=C(N)Cc1ccccc1 ZINC000047255942 1291569871 /nfs/dbraw/zinc/56/98/71/1291569871.db2.gz XWRAAJWLCTVJTE-HNNXBMFYSA-N 1 2 325.412 3.162 20 30 EGEDLO N#Cc1ccc(OCCO[NH+]=C(N)Cc2ccccc2Cl)cc1 ZINC000072035580 1292274100 /nfs/dbraw/zinc/27/41/00/1292274100.db2.gz BNKGDKGCOFDTEP-UHFFFAOYSA-N 1 2 329.787 3.122 20 30 EGEDLO C[N@H+](CC(F)F)C1CCN(C(=O)CC2(C#N)CCCCC2)CC1 ZINC000829047276 1292532002 /nfs/dbraw/zinc/53/20/02/1292532002.db2.gz FIZNRWZEBHHYKJ-UHFFFAOYSA-N 1 2 327.419 3.038 20 30 EGEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)CC2(C#N)CCCCC2)CC1 ZINC000829047276 1292532010 /nfs/dbraw/zinc/53/20/10/1292532010.db2.gz FIZNRWZEBHHYKJ-UHFFFAOYSA-N 1 2 327.419 3.038 20 30 EGEDLO C[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000089964426 1292781624 /nfs/dbraw/zinc/78/16/24/1292781624.db2.gz JZKAHYLQINAAFR-RHSMWYFYSA-N 1 2 344.418 3.186 20 30 EGEDLO C[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1)[N@H+]1CCc2ccccc2C1 ZINC000089964426 1292781630 /nfs/dbraw/zinc/78/16/30/1292781630.db2.gz JZKAHYLQINAAFR-RHSMWYFYSA-N 1 2 344.418 3.186 20 30 EGEDLO Fc1cc(N2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)ccn1 ZINC000831455409 1292866000 /nfs/dbraw/zinc/86/60/00/1292866000.db2.gz SWHATJYSQLTDCV-UHFFFAOYSA-N 1 2 329.806 3.048 20 30 EGEDLO C[C@@H](O[NH+]=C(N)Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1 ZINC000106067320 1293047179 /nfs/dbraw/zinc/04/71/79/1293047179.db2.gz NGHHQJOHCDWCKZ-GFCCVEGCSA-N 1 2 331.803 3.199 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000834889680 1293164680 /nfs/dbraw/zinc/16/46/80/1293164680.db2.gz WNVOVGABJQTJAH-WQHBLYJGSA-N 1 2 330.197 3.288 20 30 EGEDLO O=[N+]([O-])c1ccc(O)c(/C=N/C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000114630797 1293174108 /nfs/dbraw/zinc/17/41/08/1293174108.db2.gz JQGWARMPLBYIDM-TYJAPOHBSA-N 1 2 339.395 3.384 20 30 EGEDLO O=[N+]([O-])c1ccc(O)c(/C=N/C[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000114630797 1293174112 /nfs/dbraw/zinc/17/41/12/1293174112.db2.gz JQGWARMPLBYIDM-TYJAPOHBSA-N 1 2 339.395 3.384 20 30 EGEDLO COC(=O)c1ccc(N=NC(C)C[NH+]2Cc3ccccc3C2)c(F)c1 ZINC000835024116 1293190041 /nfs/dbraw/zinc/19/00/41/1293190041.db2.gz YTELLZCVYMGJLF-UHFFFAOYSA-N 1 2 341.386 3.416 20 30 EGEDLO COc1ccc(C(N)=[NH+]OCc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000136639356 1293819604 /nfs/dbraw/zinc/81/96/04/1293819604.db2.gz CEJCSCOUWKEJSJ-UHFFFAOYSA-N 1 2 335.747 3.094 20 30 EGEDLO CC[C@@H](C)c1ccc(NC(=O)CO[NH+]=C(N)Cc2cccnc2)cc1 ZINC000137646595 1293830292 /nfs/dbraw/zinc/83/02/92/1293830292.db2.gz WYBSAVQXLUJGJF-CQSZACIVSA-N 1 2 340.427 3.065 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1=S ZINC000172944546 1294451263 /nfs/dbraw/zinc/45/12/63/1294451263.db2.gz BDTPXLZYIZIJGO-GASCZTMLSA-N 1 2 341.484 3.207 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1=S ZINC000172944546 1294451268 /nfs/dbraw/zinc/45/12/68/1294451268.db2.gz BDTPXLZYIZIJGO-GASCZTMLSA-N 1 2 341.484 3.207 20 30 EGEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc(N2CCCC2=O)cc1 ZINC000178944128 1294764651 /nfs/dbraw/zinc/76/46/51/1294764651.db2.gz COUCYABBUIAPBC-ZHACJKMWSA-N 1 2 331.375 3.357 20 30 EGEDLO Fc1cc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)cc(F)c1F ZINC000747642611 1298815520 /nfs/dbraw/zinc/81/55/20/1298815520.db2.gz QWWPZVHDMAKIOJ-UHFFFAOYSA-N 1 2 335.329 3.387 20 30 EGEDLO C[C@@H](CC1(C#N)CCOCC1)[NH2+]c1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000876866811 1299041396 /nfs/dbraw/zinc/04/13/96/1299041396.db2.gz XQYSCMXFWJVCBC-IRXDYDNUSA-N 1 2 343.471 3.423 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)O[NH+]=C(N)Cc1ccccc1Cl ZINC000748776237 1299076555 /nfs/dbraw/zinc/07/65/55/1299076555.db2.gz CNGRCMRBEURXTJ-CYBMUJFWSA-N 1 2 337.851 3.194 20 30 EGEDLO N#CCSc1ccccc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000751410716 1299547731 /nfs/dbraw/zinc/54/77/31/1299547731.db2.gz LAPISBXYLRSEDW-UHFFFAOYSA-N 1 2 326.425 3.045 20 30 EGEDLO C=CC[C@H](CO)C[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756785080 1300565616 /nfs/dbraw/zinc/56/56/16/1300565616.db2.gz AGTXCCFNSGPERH-ZJUUUORDSA-N 1 2 332.213 3.129 20 30 EGEDLO C#CC[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000757597115 1300691060 /nfs/dbraw/zinc/69/10/60/1300691060.db2.gz KGRUVCHLYPVYKQ-HXUWFJFHSA-N 1 2 329.403 3.426 20 30 EGEDLO Cc1ccn(C[N@@H+]2C[C@@H](C)C[C@@H]2c2ccccc2F)c(=O)c1C#N ZINC000758222628 1300822043 /nfs/dbraw/zinc/82/20/43/1300822043.db2.gz GEPATGBWPHGBBR-SCLBCKFNSA-N 1 2 325.387 3.208 20 30 EGEDLO Cc1ccn(C[N@H+]2C[C@@H](C)C[C@@H]2c2ccccc2F)c(=O)c1C#N ZINC000758222628 1300822049 /nfs/dbraw/zinc/82/20/49/1300822049.db2.gz GEPATGBWPHGBBR-SCLBCKFNSA-N 1 2 325.387 3.208 20 30 EGEDLO C#CC[N@@H+](CC(=O)N(C)C(c1ccccc1)c1ccccc1)C1CC1 ZINC000763949155 1301987341 /nfs/dbraw/zinc/98/73/41/1301987341.db2.gz HKWAXAFMAHMBHF-UHFFFAOYSA-N 1 2 332.447 3.332 20 30 EGEDLO C#CC[N@H+](CC(=O)N(C)C(c1ccccc1)c1ccccc1)C1CC1 ZINC000763949155 1301987344 /nfs/dbraw/zinc/98/73/44/1301987344.db2.gz HKWAXAFMAHMBHF-UHFFFAOYSA-N 1 2 332.447 3.332 20 30 EGEDLO C=CCOc1cc(OC)ccc1C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000766895929 1302541392 /nfs/dbraw/zinc/54/13/92/1302541392.db2.gz YNNVBMKGVJLCGO-UHFFFAOYSA-N 1 2 342.395 3.078 20 30 EGEDLO C#CCC(C)(C)C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000767086155 1302579352 /nfs/dbraw/zinc/57/93/52/1302579352.db2.gz NYBKVKJBVDEOOH-UHFFFAOYSA-N 1 2 349.438 3.311 20 30 EGEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccccc2SCC#N)C1 ZINC000768129172 1302829462 /nfs/dbraw/zinc/82/94/62/1302829462.db2.gz OCTLUDWLOJPJKK-AWEZNQCLSA-N 1 2 340.452 3.056 20 30 EGEDLO C#CC[N@@H+](CC#CC)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000769452297 1303116018 /nfs/dbraw/zinc/11/60/18/1303116018.db2.gz VRQTZYFSIMGJON-UHFFFAOYSA-N 1 2 340.430 3.393 20 30 EGEDLO C#CC[N@H+](CC#CC)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000769452297 1303116024 /nfs/dbraw/zinc/11/60/24/1303116024.db2.gz VRQTZYFSIMGJON-UHFFFAOYSA-N 1 2 340.430 3.393 20 30 EGEDLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000769789111 1303174961 /nfs/dbraw/zinc/17/49/61/1303174961.db2.gz HEKQPIXVIMGSKR-GOSISDBHSA-N 1 2 347.462 3.049 20 30 EGEDLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000769789111 1303174962 /nfs/dbraw/zinc/17/49/62/1303174962.db2.gz HEKQPIXVIMGSKR-GOSISDBHSA-N 1 2 347.462 3.049 20 30 EGEDLO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2nnnn2CC2CC2)cc1 ZINC000769984021 1303202373 /nfs/dbraw/zinc/20/23/73/1303202373.db2.gz CGMUJZWVDFKBJC-CYBMUJFWSA-N 1 2 347.850 3.065 20 30 EGEDLO c1cn2c(cccc2CN=Nc2ncnc3sc4c(c32)CCC4)[nH+]1 ZINC000771087697 1303358346 /nfs/dbraw/zinc/35/83/46/1303358346.db2.gz GYGANCFDNBVIKV-UHFFFAOYSA-N 1 2 334.408 3.274 20 30 EGEDLO CN1C(=O)CCc2cc(C=NNc3cc[nH+]c4ccccc34)ccc21 ZINC000774385245 1303804338 /nfs/dbraw/zinc/80/43/38/1303804338.db2.gz OLIAOONRZSISJQ-UHFFFAOYSA-N 1 2 330.391 3.012 20 30 EGEDLO Cc1cc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)ccc1C#N ZINC000774911949 1303876955 /nfs/dbraw/zinc/87/69/55/1303876955.db2.gz JHRCCCAQSMCEJI-QZTJIDSGSA-N 1 2 342.464 3.253 20 30 EGEDLO Cc1cc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)ccc1C#N ZINC000774911949 1303876960 /nfs/dbraw/zinc/87/69/60/1303876960.db2.gz JHRCCCAQSMCEJI-QZTJIDSGSA-N 1 2 342.464 3.253 20 30 EGEDLO C#C[C@H]([NH2+][C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C)[C@H]1CCCO1 ZINC000775572534 1303987379 /nfs/dbraw/zinc/98/73/79/1303987379.db2.gz BLNIZURWNOMICE-AFAVFJNCSA-N 1 2 344.846 3.061 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1csc(Nc2ccc(C)cc2)n1)[C@@H]1CCCO1 ZINC000775790678 1304038666 /nfs/dbraw/zinc/03/86/66/1304038666.db2.gz HXMYWKPZCZRUDH-SJORKVTESA-N 1 2 327.453 3.466 20 30 EGEDLO C#C[C@H]([NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1)[C@H]1CCCO1 ZINC000775791533 1304038765 /nfs/dbraw/zinc/03/87/65/1304038765.db2.gz VWTQHYYSKUAHTF-ZCNNSNEGSA-N 1 2 334.419 3.137 20 30 EGEDLO CC(=NOCCC(F)(F)F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000777459526 1304300588 /nfs/dbraw/zinc/30/05/88/1304300588.db2.gz IYIOODAYUQBSRA-HNNXBMFYSA-N 1 2 330.350 3.232 20 30 EGEDLO CC(=NOCCC(F)(F)F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000777459526 1304300592 /nfs/dbraw/zinc/30/05/92/1304300592.db2.gz IYIOODAYUQBSRA-HNNXBMFYSA-N 1 2 330.350 3.232 20 30 EGEDLO C=CCC[C@H](C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000778559036 1304465726 /nfs/dbraw/zinc/46/57/26/1304465726.db2.gz JHKCEQPXKXPMLR-OTWHNJEPSA-N 1 2 329.440 3.143 20 30 EGEDLO C=CCC[C@H](C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000778559036 1304465732 /nfs/dbraw/zinc/46/57/32/1304465732.db2.gz JHKCEQPXKXPMLR-OTWHNJEPSA-N 1 2 329.440 3.143 20 30 EGEDLO CC(=NNC1=[NH+]C[C@@H](C)N1)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000779794774 1304606637 /nfs/dbraw/zinc/60/66/37/1304606637.db2.gz NELIWBJIRUMIEL-SECBINFHSA-N 1 2 347.875 3.433 20 30 EGEDLO Cc1cccn2cc(CC(=O)Nc3ccccc3O[C@H](C)C#N)[nH+]c12 ZINC000780150346 1304645265 /nfs/dbraw/zinc/64/52/65/1304645265.db2.gz LJXKLMQYYXGCOB-CQSZACIVSA-N 1 2 334.379 3.115 20 30 EGEDLO CCN(CCCO[NH+]=C(N)c1ccc(F)c(C)c1)CC(F)(F)F ZINC000786112388 1305517263 /nfs/dbraw/zinc/51/72/63/1305517263.db2.gz RLJIIWDYDIWOTD-UHFFFAOYSA-N 1 2 335.345 3.045 20 30 EGEDLO Fc1cccc(-c2ccc(C=NNC3=[NH+][C@@H]4CCCC[C@@H]4N3)o2)c1F ZINC000790170326 1306270610 /nfs/dbraw/zinc/27/06/10/1306270610.db2.gz AAATUKZLKZPPLX-GASCZTMLSA-N 1 2 344.365 3.419 20 30 EGEDLO Fc1cccc(-c2ccc(C=NNC3=[NH+][C@@H]4CCCC[C@H]4N3)o2)c1F ZINC000790170350 1306271766 /nfs/dbraw/zinc/27/17/66/1306271766.db2.gz AAATUKZLKZPPLX-HUUCEWRRSA-N 1 2 344.365 3.419 20 30 EGEDLO N#Cc1cc(Br)cc(COC(=O)CCCn2cc[nH+]c2)c1 ZINC000791111894 1308924056 /nfs/dbraw/zinc/92/40/56/1308924056.db2.gz LODQSOUVXSWASF-UHFFFAOYSA-N 1 2 348.200 3.041 20 30 EGEDLO COc1ccc(C[N@H+](C)Cc2ccns2)cc1OCCCC#N ZINC000895453849 1309345330 /nfs/dbraw/zinc/34/53/30/1309345330.db2.gz QSVQKHHWKGBNSA-UHFFFAOYSA-N 1 2 331.441 3.466 20 30 EGEDLO COc1ccc(C[N@@H+](C)Cc2ccns2)cc1OCCCC#N ZINC000895453849 1309345340 /nfs/dbraw/zinc/34/53/40/1309345340.db2.gz QSVQKHHWKGBNSA-UHFFFAOYSA-N 1 2 331.441 3.466 20 30 EGEDLO C=CC[N@@H+](Cc1ccccc1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793484003 1309382631 /nfs/dbraw/zinc/38/26/31/1309382631.db2.gz QFINBGBBQCQZJL-UHFFFAOYSA-N 1 2 333.435 3.244 20 30 EGEDLO C=CC[N@H+](Cc1ccccc1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793484003 1309382638 /nfs/dbraw/zinc/38/26/38/1309382638.db2.gz QFINBGBBQCQZJL-UHFFFAOYSA-N 1 2 333.435 3.244 20 30 EGEDLO N#Cc1c(=O)n(C[N@@H+]2CCC[C@@H]2c2ccsc2)cc2c1CCCC2 ZINC000793485970 1309382752 /nfs/dbraw/zinc/38/27/52/1309382752.db2.gz GUIYQBWCNUWTKZ-GOSISDBHSA-N 1 2 339.464 3.455 20 30 EGEDLO N#Cc1c(=O)n(C[N@H+]2CCC[C@@H]2c2ccsc2)cc2c1CCCC2 ZINC000793485970 1309382757 /nfs/dbraw/zinc/38/27/57/1309382757.db2.gz GUIYQBWCNUWTKZ-GOSISDBHSA-N 1 2 339.464 3.455 20 30 EGEDLO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]Nc1ccc(Cl)nc1 ZINC000794916035 1309621659 /nfs/dbraw/zinc/62/16/59/1309621659.db2.gz WLADKHSJIZLFCA-UHFFFAOYSA-N 1 2 326.791 3.257 20 30 EGEDLO CCn1c[nH+]c2c1CCN(c1c(C#N)cnc3c(F)ccc(F)c31)C2 ZINC000896659982 1309962441 /nfs/dbraw/zinc/96/24/41/1309962441.db2.gz QDVUNBHNOYVUMX-UHFFFAOYSA-N 1 2 339.349 3.164 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(F)(F)CC2)c1 ZINC000796548319 1310028946 /nfs/dbraw/zinc/02/89/46/1310028946.db2.gz CVXCLBWMRGQMJN-UHFFFAOYSA-N 1 2 335.398 3.281 20 30 EGEDLO C#CC[N@@H+](CC(=O)N(Cc1ccc(C)o1)C1CC1)Cc1ccccc1 ZINC000796639998 1310054434 /nfs/dbraw/zinc/05/44/34/1310054434.db2.gz SKDXTOCHNBOSSU-UHFFFAOYSA-N 1 2 336.435 3.214 20 30 EGEDLO C#CC[N@H+](CC(=O)N(Cc1ccc(C)o1)C1CC1)Cc1ccccc1 ZINC000796639998 1310054444 /nfs/dbraw/zinc/05/44/44/1310054444.db2.gz SKDXTOCHNBOSSU-UHFFFAOYSA-N 1 2 336.435 3.214 20 30 EGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000897979778 1310538463 /nfs/dbraw/zinc/53/84/63/1310538463.db2.gz KGCWVSJCYODUFD-APWZRJJASA-N 1 2 338.455 3.094 20 30 EGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897979778 1310538468 /nfs/dbraw/zinc/53/84/68/1310538468.db2.gz KGCWVSJCYODUFD-APWZRJJASA-N 1 2 338.455 3.094 20 30 EGEDLO C=C(C)CNC(=S)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000799509946 1310565649 /nfs/dbraw/zinc/56/56/49/1310565649.db2.gz ZDBXMPQWVLUULD-MRXNPFEDSA-N 1 2 347.528 3.042 20 30 EGEDLO C=C(C)CNC(=S)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000799509946 1310565655 /nfs/dbraw/zinc/56/56/55/1310565655.db2.gz ZDBXMPQWVLUULD-MRXNPFEDSA-N 1 2 347.528 3.042 20 30 EGEDLO N#C[C@H]1CCC[C@@H](OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000839040710 1320855351 /nfs/dbraw/zinc/85/53/51/1320855351.db2.gz AVMIRUSZYPRORX-GXTWGEPZSA-N 1 2 340.339 3.020 20 30 EGEDLO CC(C)OCc1noc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000929379397 1328583909 /nfs/dbraw/zinc/58/39/09/1328583909.db2.gz CPBYHISJNQDYKD-UHFFFAOYSA-N 1 2 328.416 3.277 20 30 EGEDLO CC(C)OCc1noc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000929379397 1328583912 /nfs/dbraw/zinc/58/39/12/1328583912.db2.gz CPBYHISJNQDYKD-UHFFFAOYSA-N 1 2 328.416 3.277 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ncoc2-c2cccs2)C1 ZINC000956969161 1317106966 /nfs/dbraw/zinc/10/69/66/1317106966.db2.gz IQNQMERGFZCVNN-UHFFFAOYSA-N 1 2 331.441 3.126 20 30 EGEDLO C#Cc1ccc(C(=O)N(CC)C2C[NH+](Cc3ccc(C)c(C)c3)C2)cn1 ZINC000957289683 1317262524 /nfs/dbraw/zinc/26/25/24/1317262524.db2.gz DFOQBXMJOJFWFX-UHFFFAOYSA-N 1 2 347.462 3.026 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccccc2C(F)(F)F)C1 ZINC000957311979 1317276521 /nfs/dbraw/zinc/27/65/21/1317276521.db2.gz UABIIDUASYRCRK-UHFFFAOYSA-N 1 2 326.362 3.428 20 30 EGEDLO Cc1ccc(C(=O)/C=C/C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000901038588 1317374771 /nfs/dbraw/zinc/37/47/71/1317374771.db2.gz DJSYCJPQTRGETO-RUEXWFJESA-N 1 2 337.423 3.040 20 30 EGEDLO C=C(C)C[NH+]1CCC2(CCN(C(=O)C(F)C(F)(F)F)CC2)CC1 ZINC000957552468 1317449292 /nfs/dbraw/zinc/44/92/92/1317449292.db2.gz QQXKBMUGBLXGGF-ZDUSSCGKSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H](F)C(F)(F)F)CC2)CC1 ZINC000957552468 1317449298 /nfs/dbraw/zinc/44/92/98/1317449298.db2.gz QQXKBMUGBLXGGF-ZDUSSCGKSA-N 1 2 336.373 3.168 20 30 EGEDLO Cn1c[nH+]cc1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000806450880 1317492017 /nfs/dbraw/zinc/49/20/17/1317492017.db2.gz ZQHYAUAZIVBONM-IBGZPJMESA-N 1 2 330.391 3.257 20 30 EGEDLO C=C(CNC(=O)NCc1[nH+]cc(C)c(OC)c1C)c1ccccc1 ZINC000806641208 1317515486 /nfs/dbraw/zinc/51/54/86/1317515486.db2.gz IOFLKEAXPRPECP-UHFFFAOYSA-N 1 2 325.412 3.220 20 30 EGEDLO O=[N+]([O-])c1cc(C=[NH+]OCc2ccns2)ccc1N1CCCC1 ZINC000902687333 1317605629 /nfs/dbraw/zinc/60/56/29/1317605629.db2.gz CKBKPPNMGNDQGC-UHFFFAOYSA-N 1 2 332.385 3.202 20 30 EGEDLO CC(=NNC1=[NH+]C[C@@H](C)N1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000811646629 1318219203 /nfs/dbraw/zinc/21/92/03/1318219203.db2.gz GHQDWZGMNFOLSR-LLVKDONJSA-N 1 2 328.366 3.293 20 30 EGEDLO C=CCC(F)(F)C(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000814858953 1318833239 /nfs/dbraw/zinc/83/32/39/1318833239.db2.gz JRWBUIYWTBLQHC-UHFFFAOYSA-N 1 2 345.393 3.090 20 30 EGEDLO Fc1ccc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)c(F)c1F ZINC000814945352 1318856682 /nfs/dbraw/zinc/85/66/82/1318856682.db2.gz WCNAKEPVBYNLMU-UHFFFAOYSA-N 1 2 335.329 3.387 20 30 EGEDLO CC(C)[C@H](C/N=C\c1cc([N+](=O)[O-])ccc1O)[NH+]1CCC(C)CC1 ZINC000915113260 1319423781 /nfs/dbraw/zinc/42/37/81/1319423781.db2.gz SMCAQQGHJLCFAS-BEWREHSGSA-N 1 2 333.432 3.476 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NCCNc1ccccc1[N+](=O)[O-] ZINC000820611506 1319921871 /nfs/dbraw/zinc/92/18/71/1319921871.db2.gz XBXMNBZFHGPZDN-UHFFFAOYSA-N 1 2 340.383 3.306 20 30 EGEDLO NC(=[NH+]OCc1cc(Cl)c2c(c1)OCCO2)c1ccc(F)cc1 ZINC000836841417 1320540861 /nfs/dbraw/zinc/54/08/61/1320540861.db2.gz BIWAWHQDKXISDC-UHFFFAOYSA-N 1 2 336.750 3.087 20 30 EGEDLO C=CCc1cc(C(=O)NCc2c[nH+]c(C)cc2C)cc(OC)c1OC ZINC000837104407 1320573037 /nfs/dbraw/zinc/57/30/37/1320573037.db2.gz WUNCMAHIVGEXBE-UHFFFAOYSA-N 1 2 340.423 3.374 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)CN1C(=O)[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000839971193 1321006487 /nfs/dbraw/zinc/00/64/87/1321006487.db2.gz USBZOXHAXNIHAY-PMACEKPBSA-N 1 2 340.467 3.288 20 30 EGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)CN1C(=O)[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000839971193 1321006492 /nfs/dbraw/zinc/00/64/92/1321006492.db2.gz USBZOXHAXNIHAY-PMACEKPBSA-N 1 2 340.467 3.288 20 30 EGEDLO C=CCCC(=O)Nc1ccc(COC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000844484551 1321611695 /nfs/dbraw/zinc/61/16/95/1321611695.db2.gz UTUNAWPWYVTXPX-OAHLLOKOSA-N 1 2 341.411 3.482 20 30 EGEDLO CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000859478783 1328996572 /nfs/dbraw/zinc/99/65/72/1328996572.db2.gz AVICHKQVQOENQL-KRWDZBQOSA-N 1 2 344.459 3.031 20 30 EGEDLO CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000859478783 1328996574 /nfs/dbraw/zinc/99/65/74/1328996574.db2.gz AVICHKQVQOENQL-KRWDZBQOSA-N 1 2 344.459 3.031 20 30 EGEDLO C[C@H](CC(C)(C)C#N)OC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000851203825 1322353445 /nfs/dbraw/zinc/35/34/45/1322353445.db2.gz GFPJJWRAIVFLKV-OAHLLOKOSA-N 1 2 325.412 3.345 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1c(F)cccc1OC ZINC001024454264 1323412878 /nfs/dbraw/zinc/41/28/78/1323412878.db2.gz DFLDZUXGSWXRJU-ZDUSSCGKSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1c(F)cccc1OC ZINC001024454264 1323412885 /nfs/dbraw/zinc/41/28/85/1323412885.db2.gz DFLDZUXGSWXRJU-ZDUSSCGKSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cncc(F)c2)CC1 ZINC001024634029 1323560609 /nfs/dbraw/zinc/56/06/09/1323560609.db2.gz QLKGPMUKPPEDRH-IBGZPJMESA-N 1 2 345.462 3.438 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cncc(F)c2)CC1 ZINC001024634029 1323560612 /nfs/dbraw/zinc/56/06/12/1323560612.db2.gz QLKGPMUKPPEDRH-IBGZPJMESA-N 1 2 345.462 3.438 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)N(C)CC2 ZINC001024781870 1323685209 /nfs/dbraw/zinc/68/52/09/1323685209.db2.gz CYACWGGPMFNSET-QGZVFWFLSA-N 1 2 347.890 3.016 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)N(C)CC2 ZINC001024781870 1323685213 /nfs/dbraw/zinc/68/52/13/1323685213.db2.gz CYACWGGPMFNSET-QGZVFWFLSA-N 1 2 347.890 3.016 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CCOC2(CCOCC2)C1 ZINC000853450905 1325094316 /nfs/dbraw/zinc/09/43/16/1325094316.db2.gz QQDVGJSLWFPJBV-MRXNPFEDSA-N 1 2 330.428 3.014 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(C[S@@](C)=O)cc1 ZINC000853621372 1325134512 /nfs/dbraw/zinc/13/45/12/1325134512.db2.gz BGLFXOXBDPIMQF-XMMPIXPASA-N 1 2 342.464 3.364 20 30 EGEDLO CC[C@H]([NH2+]CCc1nn(C)c2ccccc12)c1cccc(C#N)c1O ZINC000926208074 1325470840 /nfs/dbraw/zinc/47/08/40/1325470840.db2.gz YSJLWTWYEKVMIR-KRWDZBQOSA-N 1 2 334.423 3.434 20 30 EGEDLO C[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)CC1CC1 ZINC000964628113 1325587119 /nfs/dbraw/zinc/58/71/19/1325587119.db2.gz LTYBZCXTORUUJX-DNVCBOLYSA-N 1 2 344.886 3.318 20 30 EGEDLO C[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)CC1CC1 ZINC000964628113 1325587125 /nfs/dbraw/zinc/58/71/25/1325587125.db2.gz LTYBZCXTORUUJX-DNVCBOLYSA-N 1 2 344.886 3.318 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@H]2C)o1 ZINC000964903578 1327761520 /nfs/dbraw/zinc/76/15/20/1327761520.db2.gz JOVWOYXAIAZBLA-APWZRJJASA-N 1 2 336.435 3.080 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2C[N@H+](CC#Cc3ccccc3)CC[C@H]2C)o1 ZINC000964903578 1327761526 /nfs/dbraw/zinc/76/15/26/1327761526.db2.gz JOVWOYXAIAZBLA-APWZRJJASA-N 1 2 336.435 3.080 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2csc(C)n2)C1 ZINC001027519069 1327789693 /nfs/dbraw/zinc/78/96/93/1327789693.db2.gz DLTIERPWQRNVRE-MRXNPFEDSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2csc(C)n2)C1 ZINC001027519069 1327789696 /nfs/dbraw/zinc/78/96/96/1327789696.db2.gz DLTIERPWQRNVRE-MRXNPFEDSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC2(C)C)C1 ZINC001027536273 1327828588 /nfs/dbraw/zinc/82/85/88/1327828588.db2.gz PPXGUQDXIDBZDQ-KGLIPLIRSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC2(C)C)C1 ZINC001027536273 1327828594 /nfs/dbraw/zinc/82/85/94/1327828594.db2.gz PPXGUQDXIDBZDQ-KGLIPLIRSA-N 1 2 343.309 3.254 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2cccs2)ccc1F ZINC001027734371 1328159638 /nfs/dbraw/zinc/15/96/38/1328159638.db2.gz WYIVQYMAILEZQU-OAHLLOKOSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1cc(C[N@H+]2CCC[C@@H]2CNC(=O)c2cccs2)ccc1F ZINC001027734371 1328159641 /nfs/dbraw/zinc/15/96/41/1328159641.db2.gz WYIVQYMAILEZQU-OAHLLOKOSA-N 1 2 343.427 3.153 20 30 EGEDLO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1)c1sccc1F ZINC001027862825 1328322786 /nfs/dbraw/zinc/32/27/86/1328322786.db2.gz XLWDTYLUIYHYBH-MRXNPFEDSA-N 1 2 342.439 3.133 20 30 EGEDLO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1)c1sccc1F ZINC001027862825 1328322793 /nfs/dbraw/zinc/32/27/93/1328322793.db2.gz XLWDTYLUIYHYBH-MRXNPFEDSA-N 1 2 342.439 3.133 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1oc(C(F)F)cc1C ZINC001027943443 1328416445 /nfs/dbraw/zinc/41/64/45/1328416445.db2.gz SCXMJAHFWPDUAX-NSHDSACASA-N 1 2 332.778 3.472 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1oc(C(F)F)cc1C ZINC001027943443 1328416452 /nfs/dbraw/zinc/41/64/52/1328416452.db2.gz SCXMJAHFWPDUAX-NSHDSACASA-N 1 2 332.778 3.472 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001027965220 1328438842 /nfs/dbraw/zinc/43/88/42/1328438842.db2.gz UEUBIABZOATEHT-UONOGXRCSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001027965220 1328438848 /nfs/dbraw/zinc/43/88/48/1328438848.db2.gz UEUBIABZOATEHT-UONOGXRCSA-N 1 2 341.293 3.056 20 30 EGEDLO C=CCOc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(=C)Cl)cc1 ZINC001027975113 1328451212 /nfs/dbraw/zinc/45/12/12/1328451212.db2.gz OTIBCNNQGAHGGS-MRXNPFEDSA-N 1 2 334.847 3.198 20 30 EGEDLO C=CCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=C)Cl)cc1 ZINC001027975113 1328451218 /nfs/dbraw/zinc/45/12/18/1328451218.db2.gz OTIBCNNQGAHGGS-MRXNPFEDSA-N 1 2 334.847 3.198 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1c(F)cc(C)cc1F ZINC001028018452 1328481749 /nfs/dbraw/zinc/48/17/49/1328481749.db2.gz UODDXHKBUDUQMV-LBPRGKRZSA-N 1 2 328.790 3.220 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1c(F)cc(C)cc1F ZINC001028018452 1328481754 /nfs/dbraw/zinc/48/17/54/1328481754.db2.gz UODDXHKBUDUQMV-LBPRGKRZSA-N 1 2 328.790 3.220 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](C/C=C/c3ccc(F)cc3F)CC2)cn1 ZINC000862422027 1329485251 /nfs/dbraw/zinc/48/52/51/1329485251.db2.gz OPLAQUJEBDHJEX-OWOJBTEDSA-N 1 2 340.377 3.067 20 30 EGEDLO C[N@H+](CC(=O)NCCC1=CCCCC1)Cc1ccc(F)c(C#N)c1 ZINC000933363378 1329882732 /nfs/dbraw/zinc/88/27/32/1329882732.db2.gz IRSCTDCSXDVWKM-UHFFFAOYSA-N 1 2 329.419 3.136 20 30 EGEDLO C[N@@H+](CC(=O)NCCC1=CCCCC1)Cc1ccc(F)c(C#N)c1 ZINC000933363378 1329882733 /nfs/dbraw/zinc/88/27/33/1329882733.db2.gz IRSCTDCSXDVWKM-UHFFFAOYSA-N 1 2 329.419 3.136 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001063225396 1351763640 /nfs/dbraw/zinc/76/36/40/1351763640.db2.gz VEDQAHSPUAFQGU-QGZVFWFLSA-N 1 2 328.460 3.007 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)CC2CC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC000946984866 1332955627 /nfs/dbraw/zinc/95/56/27/1332955627.db2.gz DMZBISYOJRSKAN-MAUKXSAKSA-N 1 2 344.886 3.461 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)CC2CC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC000946984866 1332955630 /nfs/dbraw/zinc/95/56/30/1332955630.db2.gz DMZBISYOJRSKAN-MAUKXSAKSA-N 1 2 344.886 3.461 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)CC2CCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947161366 1333029088 /nfs/dbraw/zinc/02/90/88/1333029088.db2.gz DRTOSOIWNNDQRQ-LIRRHRJNSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)CC2CCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947161366 1333029090 /nfs/dbraw/zinc/02/90/90/1333029090.db2.gz DRTOSOIWNNDQRQ-LIRRHRJNSA-N 1 2 343.446 3.357 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(C(C)C)nc1 ZINC000948923616 1333736341 /nfs/dbraw/zinc/73/63/41/1333736341.db2.gz NMMXCCDAISKLOB-NRFANRHFSA-N 1 2 347.462 3.167 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(C(C)C)nc1 ZINC000948923616 1333736343 /nfs/dbraw/zinc/73/63/43/1333736343.db2.gz NMMXCCDAISKLOB-NRFANRHFSA-N 1 2 347.462 3.167 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1conc1C1CC1 ZINC000948957788 1333747737 /nfs/dbraw/zinc/74/77/37/1333747737.db2.gz IRSBFWSROMEAFA-SFHVURJKSA-N 1 2 337.423 3.067 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1conc1C1CC1 ZINC000948957788 1333747740 /nfs/dbraw/zinc/74/77/40/1333747740.db2.gz IRSBFWSROMEAFA-SFHVURJKSA-N 1 2 337.423 3.067 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1scnc1Cl ZINC000948987244 1333761295 /nfs/dbraw/zinc/76/12/95/1333761295.db2.gz VFECIFJAROJDSD-CQSZACIVSA-N 1 2 347.871 3.312 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1scnc1Cl ZINC000948987244 1333761298 /nfs/dbraw/zinc/76/12/98/1333761298.db2.gz VFECIFJAROJDSD-CQSZACIVSA-N 1 2 347.871 3.312 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccoc1C(C)C ZINC000948989709 1333761777 /nfs/dbraw/zinc/76/17/77/1333761777.db2.gz KMXZSNRJCMKQRO-LJQANCHMSA-N 1 2 336.435 3.365 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccoc1C(C)C ZINC000948989709 1333761780 /nfs/dbraw/zinc/76/17/80/1333761780.db2.gz KMXZSNRJCMKQRO-LJQANCHMSA-N 1 2 336.435 3.365 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](CCO[C@H]2CCCC[C@@H]2C)CC1 ZINC000949635799 1333886906 /nfs/dbraw/zinc/88/69/06/1333886906.db2.gz RHMZOJWJMWLKBR-ROUUACIJSA-N 1 2 336.520 3.328 20 30 EGEDLO C=C1CCC(C(=O)N2CC[NH+](CCc3ccccc3F)CC2)CC1 ZINC000950047606 1334001982 /nfs/dbraw/zinc/00/19/82/1334001982.db2.gz ZIAHGUZFYMIVLX-UHFFFAOYSA-N 1 2 330.447 3.259 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](CCOc2cccc(CC)c2)CC1 ZINC000950051497 1334002989 /nfs/dbraw/zinc/00/29/89/1334002989.db2.gz NSFNIWXATPPWRC-OAQYLSRUSA-N 1 2 344.499 3.374 20 30 EGEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)C1 ZINC000950340771 1334045149 /nfs/dbraw/zinc/04/51/49/1334045149.db2.gz KVZFYZKKCGQIKX-BGHVQYPCSA-N 1 2 344.421 3.320 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[NH+](CCOc3c(C)cccc3C)CC2)C1 ZINC000950373392 1334053195 /nfs/dbraw/zinc/05/31/95/1334053195.db2.gz WLZJLXVPGHEIMD-UHFFFAOYSA-N 1 2 342.483 3.183 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2nsc3ccc(C)cc32)C1 ZINC000951125954 1334187024 /nfs/dbraw/zinc/18/70/24/1334187024.db2.gz JCNIKAXHPBERAX-UHFFFAOYSA-N 1 2 329.469 3.327 20 30 EGEDLO C=C(C)CC[NH+]1CC(N(CC)C(=O)c2cnc([C@H]3CCCO3)s2)C1 ZINC000952426950 1334455322 /nfs/dbraw/zinc/45/53/22/1334455322.db2.gz GZMLBUIEYQYJCR-OAHLLOKOSA-N 1 2 349.500 3.107 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(C)ccc2OC)C1 ZINC000967279619 1335686766 /nfs/dbraw/zinc/68/67/66/1335686766.db2.gz OKFCJKCWHOPFRI-XJKSGUPXSA-N 1 2 336.863 3.196 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(C)ccc2OC)C1 ZINC000967279619 1335686767 /nfs/dbraw/zinc/68/67/67/1335686767.db2.gz OKFCJKCWHOPFRI-XJKSGUPXSA-N 1 2 336.863 3.196 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc3ncccc32)C1 ZINC000967601343 1335787212 /nfs/dbraw/zinc/78/72/12/1335787212.db2.gz YXFPJZGRUQWEOR-SCLBCKFNSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc3ncccc32)C1 ZINC000967601343 1335787214 /nfs/dbraw/zinc/78/72/14/1335787214.db2.gz YXFPJZGRUQWEOR-SCLBCKFNSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cncc3sccc32)C1 ZINC000967995895 1335842216 /nfs/dbraw/zinc/84/22/16/1335842216.db2.gz PQZHTDBOLMJFDY-ABAIWWIYSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cncc3sccc32)C1 ZINC000967995895 1335842218 /nfs/dbraw/zinc/84/22/18/1335842218.db2.gz PQZHTDBOLMJFDY-ABAIWWIYSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2c(F)cccc2F)C1 ZINC000968034125 1335846392 /nfs/dbraw/zinc/84/63/92/1335846392.db2.gz HDHYHRRATOHNKS-ZBEGNZNMSA-N 1 2 342.817 3.086 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2c(F)cccc2F)C1 ZINC000968034125 1335846395 /nfs/dbraw/zinc/84/63/95/1335846395.db2.gz HDHYHRRATOHNKS-ZBEGNZNMSA-N 1 2 342.817 3.086 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3ccccc3n2C)C1 ZINC000968077594 1335854123 /nfs/dbraw/zinc/85/41/23/1335854123.db2.gz IOEPVVQEHQRULX-CJNGLKHVSA-N 1 2 345.874 3.371 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3ccccc3n2C)C1 ZINC000968077594 1335854125 /nfs/dbraw/zinc/85/41/25/1335854125.db2.gz IOEPVVQEHQRULX-CJNGLKHVSA-N 1 2 345.874 3.371 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2C[N@@H+](Cc3nocc3C)CC[C@@H]2C)CC1 ZINC000968211784 1335873141 /nfs/dbraw/zinc/87/31/41/1335873141.db2.gz LKKLQLLKVAXPLL-YOEHRIQHSA-N 1 2 331.460 3.056 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2C[N@H+](Cc3nocc3C)CC[C@@H]2C)CC1 ZINC000968211784 1335873142 /nfs/dbraw/zinc/87/31/42/1335873142.db2.gz LKKLQLLKVAXPLL-YOEHRIQHSA-N 1 2 331.460 3.056 20 30 EGEDLO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(-c3ccco3)s2)C1 ZINC000968488860 1335938625 /nfs/dbraw/zinc/93/86/25/1335938625.db2.gz MLKZAUUHIICIGL-KGLIPLIRSA-N 1 2 328.437 3.082 20 30 EGEDLO C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(-c3ccco3)s2)C1 ZINC000968488860 1335938628 /nfs/dbraw/zinc/93/86/28/1335938628.db2.gz MLKZAUUHIICIGL-KGLIPLIRSA-N 1 2 328.437 3.082 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc3ccncc32)C1 ZINC000968493155 1335941135 /nfs/dbraw/zinc/94/11/35/1335941135.db2.gz PKEGPDIDJXUNPP-ACJLOTCBSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc3ccncc32)C1 ZINC000968493155 1335941136 /nfs/dbraw/zinc/94/11/36/1335941136.db2.gz PKEGPDIDJXUNPP-ACJLOTCBSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3cnccc3c2)C1 ZINC000968513750 1335948550 /nfs/dbraw/zinc/94/85/50/1335948550.db2.gz PPIYEWVCKXFRGT-FZKQIMNGSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3cnccc3c2)C1 ZINC000968513750 1335948552 /nfs/dbraw/zinc/94/85/52/1335948552.db2.gz PPIYEWVCKXFRGT-FZKQIMNGSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC000968635641 1335991138 /nfs/dbraw/zinc/99/11/38/1335991138.db2.gz NUOPIPYTRZYZQI-FZKQIMNGSA-N 1 2 332.875 3.368 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC000968635641 1335991142 /nfs/dbraw/zinc/99/11/42/1335991142.db2.gz NUOPIPYTRZYZQI-FZKQIMNGSA-N 1 2 332.875 3.368 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1c(C)noc1CC ZINC000969141709 1336159571 /nfs/dbraw/zinc/15/95/71/1336159571.db2.gz JUXGBBHSIKAEOP-AWEZNQCLSA-N 1 2 339.867 3.272 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1c(C)noc1CC ZINC000969141709 1336159568 /nfs/dbraw/zinc/15/95/68/1336159568.db2.gz JUXGBBHSIKAEOP-AWEZNQCLSA-N 1 2 339.867 3.272 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccsc3)C2)s1 ZINC001006674810 1336553927 /nfs/dbraw/zinc/55/39/27/1336553927.db2.gz BXTVYBWQFNTPRG-CYBMUJFWSA-N 1 2 331.466 3.076 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccsc3)C2)s1 ZINC001006674810 1336553930 /nfs/dbraw/zinc/55/39/30/1336553930.db2.gz BXTVYBWQFNTPRG-CYBMUJFWSA-N 1 2 331.466 3.076 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001007006979 1336624451 /nfs/dbraw/zinc/62/44/51/1336624451.db2.gz SXFJVTYYSJTCNI-VNTMZGSJSA-N 1 2 337.467 3.075 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001007006979 1336624454 /nfs/dbraw/zinc/62/44/54/1336624454.db2.gz SXFJVTYYSJTCNI-VNTMZGSJSA-N 1 2 337.467 3.075 20 30 EGEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)C(F)=C1CCCC1 ZINC001007088493 1336641248 /nfs/dbraw/zinc/64/12/48/1336641248.db2.gz YCQSABAKJRKUPG-LJQANCHMSA-N 1 2 340.442 3.416 20 30 EGEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)C(F)=C1CCCC1 ZINC001007088493 1336641252 /nfs/dbraw/zinc/64/12/52/1336641252.db2.gz YCQSABAKJRKUPG-LJQANCHMSA-N 1 2 340.442 3.416 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3ccc(OC)cc32)C1 ZINC001007514702 1336662190 /nfs/dbraw/zinc/66/21/90/1336662190.db2.gz MSSSTLZNRRAQDJ-NVXWUHKLSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3ccc(OC)cc32)C1 ZINC001007514702 1336662193 /nfs/dbraw/zinc/66/21/93/1336662193.db2.gz MSSSTLZNRRAQDJ-NVXWUHKLSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001007645585 1336683082 /nfs/dbraw/zinc/68/30/82/1336683082.db2.gz VQYKBIKQDZIMBT-SJLPKXTDSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001007645585 1336683084 /nfs/dbraw/zinc/68/30/84/1336683084.db2.gz VQYKBIKQDZIMBT-SJLPKXTDSA-N 1 2 332.875 3.440 20 30 EGEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3cccc(C)c3s2)C1 ZINC001007691911 1336688456 /nfs/dbraw/zinc/68/84/56/1336688456.db2.gz JNQTULXAAXYCHG-MRXNPFEDSA-N 1 2 326.465 3.427 20 30 EGEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3cccc(C)c3s2)C1 ZINC001007691911 1336688458 /nfs/dbraw/zinc/68/84/58/1336688458.db2.gz JNQTULXAAXYCHG-MRXNPFEDSA-N 1 2 326.465 3.427 20 30 EGEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)c1occ2c1CCC2 ZINC001008075834 1336763202 /nfs/dbraw/zinc/76/32/02/1336763202.db2.gz KLCGOPFWWOYLDY-IBGZPJMESA-N 1 2 348.446 3.014 20 30 EGEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1occ2c1CCC2 ZINC001008075834 1336763205 /nfs/dbraw/zinc/76/32/05/1336763205.db2.gz KLCGOPFWWOYLDY-IBGZPJMESA-N 1 2 348.446 3.014 20 30 EGEDLO CC1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)CC=CC1 ZINC001008426055 1336849657 /nfs/dbraw/zinc/84/96/57/1336849657.db2.gz DWRNEDOBGWHHPZ-QGZVFWFLSA-N 1 2 341.430 3.134 20 30 EGEDLO CC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)CC=CC1 ZINC001008426055 1336849658 /nfs/dbraw/zinc/84/96/58/1336849658.db2.gz DWRNEDOBGWHHPZ-QGZVFWFLSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC001008837526 1336933037 /nfs/dbraw/zinc/93/30/37/1336933037.db2.gz CCINBKUIYRXBJE-KURKYZTESA-N 1 2 348.874 3.097 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC001008837526 1336933038 /nfs/dbraw/zinc/93/30/38/1336933038.db2.gz CCINBKUIYRXBJE-KURKYZTESA-N 1 2 348.874 3.097 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001009079308 1336965014 /nfs/dbraw/zinc/96/50/14/1336965014.db2.gz LFLWGJXOOZDFCS-OALUTQOASA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001009079308 1336965017 /nfs/dbraw/zinc/96/50/17/1336965017.db2.gz LFLWGJXOOZDFCS-OALUTQOASA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc(F)s3)C2)s1 ZINC001009702206 1337062867 /nfs/dbraw/zinc/06/28/67/1337062867.db2.gz JWZRMUZUZFZUQC-LLVKDONJSA-N 1 2 349.456 3.215 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(F)s3)C2)s1 ZINC001009702206 1337062871 /nfs/dbraw/zinc/06/28/71/1337062871.db2.gz JWZRMUZUZFZUQC-LLVKDONJSA-N 1 2 349.456 3.215 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)s1 ZINC001009950318 1337119492 /nfs/dbraw/zinc/11/94/92/1337119492.db2.gz KQVOFLDXHRKOEC-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)s1 ZINC001009950318 1337119493 /nfs/dbraw/zinc/11/94/93/1337119493.db2.gz KQVOFLDXHRKOEC-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1ccccc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001009980437 1337131778 /nfs/dbraw/zinc/13/17/78/1337131778.db2.gz PEZHOEBKHSVDKL-KRWDZBQOSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1ccccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001009980437 1337131779 /nfs/dbraw/zinc/13/17/79/1337131779.db2.gz PEZHOEBKHSVDKL-KRWDZBQOSA-N 1 2 337.398 3.010 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)cc3F)C2)CC1 ZINC001015659690 1338238245 /nfs/dbraw/zinc/23/82/45/1338238245.db2.gz IDFBSNOOBJNMGX-QGZVFWFLSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)cc3F)C2)CC1 ZINC001015659690 1338238247 /nfs/dbraw/zinc/23/82/47/1338238247.db2.gz IDFBSNOOBJNMGX-QGZVFWFLSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3OC)C2)C1 ZINC001015676175 1338252337 /nfs/dbraw/zinc/25/23/37/1338252337.db2.gz INBLXZBYTUVRBB-INIZCTEOSA-N 1 2 348.874 3.395 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3ccc(Cl)cc3OC)C2)C1 ZINC001015676175 1338252339 /nfs/dbraw/zinc/25/23/39/1338252339.db2.gz INBLXZBYTUVRBB-INIZCTEOSA-N 1 2 348.874 3.395 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2csc(Cl)c2)C1 ZINC001015793009 1338312472 /nfs/dbraw/zinc/31/24/72/1338312472.db2.gz KAPLHGPFBANGFA-HNNXBMFYSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2csc(Cl)c2)C1 ZINC001015793009 1338312474 /nfs/dbraw/zinc/31/24/74/1338312474.db2.gz KAPLHGPFBANGFA-HNNXBMFYSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C3(F)CCCCC3)C2)cc1F ZINC001015944718 1338371356 /nfs/dbraw/zinc/37/13/56/1338371356.db2.gz OSVLYCWYTWNOCR-INIZCTEOSA-N 1 2 347.409 3.060 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C3(F)CCCCC3)C2)cc1F ZINC001015944718 1338371361 /nfs/dbraw/zinc/37/13/61/1338371361.db2.gz OSVLYCWYTWNOCR-INIZCTEOSA-N 1 2 347.409 3.060 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC001016185439 1338495532 /nfs/dbraw/zinc/49/55/32/1338495532.db2.gz RZJRDQFCZYRCBW-HNNXBMFYSA-N 1 2 339.266 3.315 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC001016185439 1338495534 /nfs/dbraw/zinc/49/55/34/1338495534.db2.gz RZJRDQFCZYRCBW-HNNXBMFYSA-N 1 2 339.266 3.315 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C23CC(c4ccccc4)(C2)C3)C1 ZINC001016361030 1338565807 /nfs/dbraw/zinc/56/58/07/1338565807.db2.gz WMLHMMMUXNLKRN-IPJUCJBFSA-N 1 2 330.859 3.051 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C23CC(c4ccccc4)(C2)C3)C1 ZINC001016361030 1338565810 /nfs/dbraw/zinc/56/58/10/1338565810.db2.gz WMLHMMMUXNLKRN-IPJUCJBFSA-N 1 2 330.859 3.051 20 30 EGEDLO CC1(C)CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC001016363673 1338568253 /nfs/dbraw/zinc/56/82/53/1338568253.db2.gz RJTWFNDJQMXKTO-LJQANCHMSA-N 1 2 339.483 3.465 20 30 EGEDLO CC1(C)CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC001016363673 1338568256 /nfs/dbraw/zinc/56/82/56/1338568256.db2.gz RJTWFNDJQMXKTO-LJQANCHMSA-N 1 2 339.483 3.465 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(N(C)C(C)C)cc2)C1 ZINC001016390839 1338587117 /nfs/dbraw/zinc/58/71/17/1338587117.db2.gz DBWDSBWJDWSSJD-INIZCTEOSA-N 1 2 335.879 3.088 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(N(C)C(C)C)cc2)C1 ZINC001016390839 1338587122 /nfs/dbraw/zinc/58/71/22/1338587122.db2.gz DBWDSBWJDWSSJD-INIZCTEOSA-N 1 2 335.879 3.088 20 30 EGEDLO C[C@@H](c1ccccc1Cl)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001017535794 1339363382 /nfs/dbraw/zinc/36/33/82/1339363382.db2.gz OZQBGFKVGCXTFM-BHYGNILZSA-N 1 2 342.870 3.490 20 30 EGEDLO C[C@@H](c1ccccc1Cl)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001017535794 1339363387 /nfs/dbraw/zinc/36/33/87/1339363387.db2.gz OZQBGFKVGCXTFM-BHYGNILZSA-N 1 2 342.870 3.490 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)c(C(C)C)c1 ZINC001017706229 1339395887 /nfs/dbraw/zinc/39/58/87/1339395887.db2.gz KPQAHIJXQNKPJH-HDICACEKSA-N 1 2 340.467 3.131 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)c(C(C)C)c1 ZINC001017706229 1339395889 /nfs/dbraw/zinc/39/58/89/1339395889.db2.gz KPQAHIJXQNKPJH-HDICACEKSA-N 1 2 340.467 3.131 20 30 EGEDLO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1scnc1C1CCCC1 ZINC001017709395 1339397120 /nfs/dbraw/zinc/39/71/20/1339397120.db2.gz NARRUMLJHKQVPD-IYBDPMFKSA-N 1 2 343.496 3.113 20 30 EGEDLO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1scnc1C1CCCC1 ZINC001017709395 1339397122 /nfs/dbraw/zinc/39/71/22/1339397122.db2.gz NARRUMLJHKQVPD-IYBDPMFKSA-N 1 2 343.496 3.113 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2ccccc2)o1 ZINC001017985910 1339475226 /nfs/dbraw/zinc/47/52/26/1339475226.db2.gz MOICTVTXXRZDFB-HDICACEKSA-N 1 2 334.419 3.259 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2ccccc2)o1 ZINC001017985910 1339475228 /nfs/dbraw/zinc/47/52/28/1339475228.db2.gz MOICTVTXXRZDFB-HDICACEKSA-N 1 2 334.419 3.259 20 30 EGEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(C)C)c(Cl)c1 ZINC001018331269 1339580479 /nfs/dbraw/zinc/58/04/79/1339580479.db2.gz UXUJJFAGGFTRJM-IYBDPMFKSA-N 1 2 330.859 3.385 20 30 EGEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(C)C)c(Cl)c1 ZINC001018331269 1339580482 /nfs/dbraw/zinc/58/04/82/1339580482.db2.gz UXUJJFAGGFTRJM-IYBDPMFKSA-N 1 2 330.859 3.385 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(F)c(Cl)c1 ZINC001028108796 1340432370 /nfs/dbraw/zinc/43/23/70/1340432370.db2.gz XJHSRTRSUGWWFW-LBPRGKRZSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(F)c(Cl)c1 ZINC001028108796 1340432373 /nfs/dbraw/zinc/43/23/73/1340432373.db2.gz XJHSRTRSUGWWFW-LBPRGKRZSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001028127958 1340446813 /nfs/dbraw/zinc/44/68/13/1340446813.db2.gz ZBRAHGMEVGWYGR-LZWOXQAQSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001028127958 1340446815 /nfs/dbraw/zinc/44/68/15/1340446815.db2.gz ZBRAHGMEVGWYGR-LZWOXQAQSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnc2ccccc2c1 ZINC001028167286 1340463532 /nfs/dbraw/zinc/46/35/32/1340463532.db2.gz WFKZFTMBDLBRDH-INIZCTEOSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnc2ccccc2c1 ZINC001028167286 1340463533 /nfs/dbraw/zinc/46/35/33/1340463533.db2.gz WFKZFTMBDLBRDH-INIZCTEOSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC001028189506 1340475639 /nfs/dbraw/zinc/47/56/39/1340475639.db2.gz BOHCEPMTWWGAEY-RYQLBKOJSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC001028189506 1340475642 /nfs/dbraw/zinc/47/56/42/1340475642.db2.gz BOHCEPMTWWGAEY-RYQLBKOJSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1OCC1CC1 ZINC001028332487 1340570038 /nfs/dbraw/zinc/57/00/38/1340570038.db2.gz VVCHDKKBMXXIEI-INIZCTEOSA-N 1 2 348.874 3.422 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1OCC1CC1 ZINC001028332487 1340570043 /nfs/dbraw/zinc/57/00/43/1340570043.db2.gz VVCHDKKBMXXIEI-INIZCTEOSA-N 1 2 348.874 3.422 20 30 EGEDLO CC1(C)CC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2C#N)C1 ZINC001029294485 1340968052 /nfs/dbraw/zinc/96/80/52/1340968052.db2.gz XHCUURCZUNQOJW-KDURUIRLSA-N 1 2 337.467 3.170 20 30 EGEDLO CC1(C)CC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2C#N)C1 ZINC001029294485 1340968053 /nfs/dbraw/zinc/96/80/53/1340968053.db2.gz XHCUURCZUNQOJW-KDURUIRLSA-N 1 2 337.467 3.170 20 30 EGEDLO C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)CC=CCC1 ZINC001029321791 1340971562 /nfs/dbraw/zinc/97/15/62/1340971562.db2.gz SGRRHWAKNZDPQK-FUPPJEDESA-N 1 2 348.490 3.460 20 30 EGEDLO C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)CC=CCC1 ZINC001029321791 1340971563 /nfs/dbraw/zinc/97/15/63/1340971563.db2.gz SGRRHWAKNZDPQK-FUPPJEDESA-N 1 2 348.490 3.460 20 30 EGEDLO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N)C(C)(C)C ZINC001029361138 1340977440 /nfs/dbraw/zinc/97/74/40/1340977440.db2.gz QOFKAOADGDWLET-ZYSHUDEJSA-N 1 2 339.483 3.416 20 30 EGEDLO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N)C(C)(C)C ZINC001029361138 1340977441 /nfs/dbraw/zinc/97/74/41/1340977441.db2.gz QOFKAOADGDWLET-ZYSHUDEJSA-N 1 2 339.483 3.416 20 30 EGEDLO C=CCOc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C/C=C/Cl)cc1 ZINC001029364808 1340978089 /nfs/dbraw/zinc/97/80/89/1340978089.db2.gz LJDFQSLHIVCXBP-WZFUWRJCSA-N 1 2 346.858 3.293 20 30 EGEDLO C=CCOc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C/C=C/Cl)cc1 ZINC001029364808 1340978090 /nfs/dbraw/zinc/97/80/90/1340978090.db2.gz LJDFQSLHIVCXBP-WZFUWRJCSA-N 1 2 346.858 3.293 20 30 EGEDLO CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001029450297 1340992633 /nfs/dbraw/zinc/99/26/33/1340992633.db2.gz CHQDTWAZRLRSMA-HDICACEKSA-N 1 2 325.456 3.170 20 30 EGEDLO CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001029450297 1340992634 /nfs/dbraw/zinc/99/26/34/1340992634.db2.gz CHQDTWAZRLRSMA-HDICACEKSA-N 1 2 325.456 3.170 20 30 EGEDLO CC(C)[C@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001029534641 1341006760 /nfs/dbraw/zinc/00/67/60/1341006760.db2.gz ODJLZXDVZLYGTF-IYWMVGAKSA-N 1 2 337.467 3.026 20 30 EGEDLO CC(C)[C@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001029534641 1341006761 /nfs/dbraw/zinc/00/67/61/1341006761.db2.gz ODJLZXDVZLYGTF-IYWMVGAKSA-N 1 2 337.467 3.026 20 30 EGEDLO CC(C)[C@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029535498 1341007453 /nfs/dbraw/zinc/00/74/53/1341007453.db2.gz XEZYUGYKFBIRRZ-LTCOOKNTSA-N 1 2 343.496 3.087 20 30 EGEDLO CC(C)[C@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029535498 1341007454 /nfs/dbraw/zinc/00/74/54/1341007454.db2.gz XEZYUGYKFBIRRZ-LTCOOKNTSA-N 1 2 343.496 3.087 20 30 EGEDLO C=CCn1cccc1C(=O)NC1C[NH+]([C@H](CC)c2ccc(F)cc2)C1 ZINC001030446430 1341188353 /nfs/dbraw/zinc/18/83/53/1341188353.db2.gz ABYIOZFWPUABDL-GOSISDBHSA-N 1 2 341.430 3.379 20 30 EGEDLO Cc1cc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)c(C)s1 ZINC001031822510 1341406329 /nfs/dbraw/zinc/40/63/29/1341406329.db2.gz NYTGGGGKSFAYOD-UHFFFAOYSA-N 1 2 338.476 3.078 20 30 EGEDLO CC1(C)CCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031906137 1341418952 /nfs/dbraw/zinc/41/89/52/1341418952.db2.gz FWLHPAYILFGQQY-KRWDZBQOSA-N 1 2 343.446 3.072 20 30 EGEDLO C[C@@H]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001031937811 1341426427 /nfs/dbraw/zinc/42/64/27/1341426427.db2.gz GWGMZMONVISDPD-RHSMWYFYSA-N 1 2 343.446 3.072 20 30 EGEDLO C[C@H]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)C1 ZINC001031938764 1341426792 /nfs/dbraw/zinc/42/67/92/1341426792.db2.gz NNUVXYZENHCVOV-WMLDXEAASA-N 1 2 343.446 3.072 20 30 EGEDLO C[C@H]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001031939477 1341426918 /nfs/dbraw/zinc/42/69/18/1341426918.db2.gz UMKXTJWYVNNJNR-WMLDXEAASA-N 1 2 343.446 3.072 20 30 EGEDLO C=C1CCC(C(=O)NCC2C[NH+](Cc3ccncc3Cl)C2)CC1 ZINC001031951338 1341430309 /nfs/dbraw/zinc/43/03/09/1341430309.db2.gz FWAWYBBJCFHPDU-UHFFFAOYSA-N 1 2 333.863 3.029 20 30 EGEDLO C=C1CCC(C(=O)NCC2C[NH+](Cc3cccc(F)c3F)C2)CC1 ZINC001031951221 1341430373 /nfs/dbraw/zinc/43/03/73/1341430373.db2.gz DYFFBFCDWGCUQK-UHFFFAOYSA-N 1 2 334.410 3.259 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)CC1 ZINC001032141355 1341461857 /nfs/dbraw/zinc/46/18/57/1341461857.db2.gz OYUSDFYDROULMS-CZIWCDLHSA-N 1 2 343.446 3.072 20 30 EGEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3ccccc3Cl)C2)s1 ZINC001032145113 1341462943 /nfs/dbraw/zinc/46/29/43/1341462943.db2.gz QDGILJCVVREUCE-UHFFFAOYSA-N 1 2 345.855 3.135 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c(C)nsc1C ZINC001032558009 1341539546 /nfs/dbraw/zinc/53/95/46/1341539546.db2.gz BQZXYHWWJMPPCO-GJZGRUSLSA-N 1 2 333.501 3.147 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1c(C)nsc1C ZINC001032558009 1341539547 /nfs/dbraw/zinc/53/95/47/1341539547.db2.gz BQZXYHWWJMPPCO-GJZGRUSLSA-N 1 2 333.501 3.147 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(OC)c(F)c1 ZINC001032606210 1341556624 /nfs/dbraw/zinc/55/66/24/1341556624.db2.gz PNIAJDNATBEYMI-FTRWYGJKSA-N 1 2 346.446 3.222 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(OC)c(F)c1 ZINC001032606210 1341556625 /nfs/dbraw/zinc/55/66/25/1341556625.db2.gz PNIAJDNATBEYMI-FTRWYGJKSA-N 1 2 346.446 3.222 20 30 EGEDLO CC(C)c1occc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032809212 1341622235 /nfs/dbraw/zinc/62/22/35/1341622235.db2.gz GLPVPDWURPLXGQ-ROUUACIJSA-N 1 2 349.434 3.374 20 30 EGEDLO CC(C)c1occc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032809212 1341622237 /nfs/dbraw/zinc/62/22/37/1341622237.db2.gz GLPVPDWURPLXGQ-ROUUACIJSA-N 1 2 349.434 3.374 20 30 EGEDLO CN(C(=O)CC1CC1)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001032863081 1341638024 /nfs/dbraw/zinc/63/80/24/1341638024.db2.gz WYQVOVWAABQWMU-QGZVFWFLSA-N 1 2 330.859 3.024 20 30 EGEDLO CN(C(=O)CC1CC1)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001032863081 1341638026 /nfs/dbraw/zinc/63/80/26/1341638026.db2.gz WYQVOVWAABQWMU-QGZVFWFLSA-N 1 2 330.859 3.024 20 30 EGEDLO CN(C(=O)C[C@@H]1C=CCC1)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032897991 1341655587 /nfs/dbraw/zinc/65/55/87/1341655587.db2.gz BMRRWSZKURXHET-BEFAXECRSA-N 1 2 341.430 3.086 20 30 EGEDLO CN(C(=O)C[C@@H]1C=CCC1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032897991 1341655588 /nfs/dbraw/zinc/65/55/88/1341655588.db2.gz BMRRWSZKURXHET-BEFAXECRSA-N 1 2 341.430 3.086 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc3ccccc3nc2C)C1 ZINC001033124134 1341732748 /nfs/dbraw/zinc/73/27/48/1341732748.db2.gz VHJDWRZFTGKLBZ-INIZCTEOSA-N 1 2 343.858 3.442 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc3ccccc3nc2C)C1 ZINC001033124134 1341732750 /nfs/dbraw/zinc/73/27/50/1341732750.db2.gz VHJDWRZFTGKLBZ-INIZCTEOSA-N 1 2 343.858 3.442 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C23CCC(CC2)C3)C1 ZINC001033193391 1341749187 /nfs/dbraw/zinc/74/91/87/1341749187.db2.gz GOIHODDQDGOPSV-NPCAHTBFSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C23CCC(CC2)C3)C1 ZINC001033193391 1341749189 /nfs/dbraw/zinc/74/91/89/1341749189.db2.gz GOIHODDQDGOPSV-NPCAHTBFSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-c3cnco3)cc2)C1 ZINC001033193572 1341749278 /nfs/dbraw/zinc/74/92/78/1341749278.db2.gz IAUHKFLKNDZIOZ-INIZCTEOSA-N 1 2 345.830 3.240 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-c3cnco3)cc2)C1 ZINC001033193572 1341749279 /nfs/dbraw/zinc/74/92/79/1341749279.db2.gz IAUHKFLKNDZIOZ-INIZCTEOSA-N 1 2 345.830 3.240 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC=CCC2)C1 ZINC001033327067 1341782462 /nfs/dbraw/zinc/78/24/62/1341782462.db2.gz BTWAZRBUKGEJTM-HUUCEWRRSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC=CCC2)C1 ZINC001033327067 1341782463 /nfs/dbraw/zinc/78/24/63/1341782463.db2.gz BTWAZRBUKGEJTM-HUUCEWRRSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(Cl)c2F)C1 ZINC001033386202 1341806412 /nfs/dbraw/zinc/80/64/12/1341806412.db2.gz TYKBGLZELNVOFZ-LLVKDONJSA-N 1 2 331.218 3.378 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(Cl)c2F)C1 ZINC001033386202 1341806413 /nfs/dbraw/zinc/80/64/13/1341806413.db2.gz TYKBGLZELNVOFZ-LLVKDONJSA-N 1 2 331.218 3.378 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2(c3cccc(OC)c3)CC2)C1 ZINC001033464183 1341836394 /nfs/dbraw/zinc/83/63/94/1341836394.db2.gz YBSGPFUHDQAXAW-INIZCTEOSA-N 1 2 348.874 3.012 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2(c3cccc(OC)c3)CC2)C1 ZINC001033464183 1341836395 /nfs/dbraw/zinc/83/63/95/1341836395.db2.gz YBSGPFUHDQAXAW-INIZCTEOSA-N 1 2 348.874 3.012 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)C2CCCCC2)C1 ZINC001033736214 1341986548 /nfs/dbraw/zinc/98/65/48/1341986548.db2.gz JWPPTRCJDLPIOE-HNNXBMFYSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)C2CCCCC2)C1 ZINC001033736214 1341986549 /nfs/dbraw/zinc/98/65/49/1341986549.db2.gz JWPPTRCJDLPIOE-HNNXBMFYSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccnc(CCC)c2)C1 ZINC001033862966 1342050431 /nfs/dbraw/zinc/05/04/31/1342050431.db2.gz QDLZOHPOLRFAGL-KRWDZBQOSA-N 1 2 335.879 3.323 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccnc(CCC)c2)C1 ZINC001033862966 1342050433 /nfs/dbraw/zinc/05/04/33/1342050433.db2.gz QDLZOHPOLRFAGL-KRWDZBQOSA-N 1 2 335.879 3.323 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)C2CCCC2)C1 ZINC001034065346 1342204613 /nfs/dbraw/zinc/20/46/13/1342204613.db2.gz PKRYEMPGFNCWIH-AWEZNQCLSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)C2CCCC2)C1 ZINC001034065346 1342204621 /nfs/dbraw/zinc/20/46/21/1342204621.db2.gz PKRYEMPGFNCWIH-AWEZNQCLSA-N 1 2 329.282 3.056 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@H](NC(=O)CC2CCC2)C1 ZINC001034145190 1342270889 /nfs/dbraw/zinc/27/08/89/1342270889.db2.gz OMXNCTFJLPIFQF-IBGZPJMESA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@H](NC(=O)CC2CCC2)C1 ZINC001034145190 1342270890 /nfs/dbraw/zinc/27/08/90/1342270890.db2.gz OMXNCTFJLPIFQF-IBGZPJMESA-N 1 2 343.446 3.358 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4sccc4[nH]3)[C@@H]2C1 ZINC001076426142 1356575005 /nfs/dbraw/zinc/57/50/05/1356575005.db2.gz NULJKKGHINETQR-SMDDNHRTSA-N 1 2 335.860 3.128 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4sccc4[nH]3)[C@@H]2C1 ZINC001076426142 1356575008 /nfs/dbraw/zinc/57/50/08/1356575008.db2.gz NULJKKGHINETQR-SMDDNHRTSA-N 1 2 335.860 3.128 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2OCCc3ccccc32)C1 ZINC001034338966 1342412654 /nfs/dbraw/zinc/41/26/54/1342412654.db2.gz HNBVEZZYGQPEPE-FUHWJXTLSA-N 1 2 348.874 3.024 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2OCCc3ccccc32)C1 ZINC001034338966 1342412656 /nfs/dbraw/zinc/41/26/56/1342412656.db2.gz HNBVEZZYGQPEPE-FUHWJXTLSA-N 1 2 348.874 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2OCCc3ccccc32)C1 ZINC001034338968 1342412864 /nfs/dbraw/zinc/41/28/64/1342412864.db2.gz HNBVEZZYGQPEPE-SJLPKXTDSA-N 1 2 348.874 3.024 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2OCCc3ccccc32)C1 ZINC001034338968 1342412867 /nfs/dbraw/zinc/41/28/67/1342412867.db2.gz HNBVEZZYGQPEPE-SJLPKXTDSA-N 1 2 348.874 3.024 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2c(F)cc(F)cc2F)C1 ZINC001034375280 1342444213 /nfs/dbraw/zinc/44/42/13/1342444213.db2.gz NUPRRRNWWKBLRR-LBPRGKRZSA-N 1 2 346.780 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2c(F)cc(F)cc2F)C1 ZINC001034375280 1342444216 /nfs/dbraw/zinc/44/42/16/1342444216.db2.gz NUPRRRNWWKBLRR-LBPRGKRZSA-N 1 2 346.780 3.441 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@@H+](Cc3cc(C)on3)C2)CC1 ZINC001034375339 1342444802 /nfs/dbraw/zinc/44/48/02/1342444802.db2.gz ARDBCCHALIGKDK-QGZVFWFLSA-N 1 2 331.460 3.200 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@H+](Cc3cc(C)on3)C2)CC1 ZINC001034375339 1342444805 /nfs/dbraw/zinc/44/48/05/1342444805.db2.gz ARDBCCHALIGKDK-QGZVFWFLSA-N 1 2 331.460 3.200 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3ccccc3O2)C1 ZINC001034446604 1342507066 /nfs/dbraw/zinc/50/70/66/1342507066.db2.gz UXXMAOJQKLFBJL-SJLPKXTDSA-N 1 2 348.874 3.103 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3ccccc3O2)C1 ZINC001034446604 1342507070 /nfs/dbraw/zinc/50/70/70/1342507070.db2.gz UXXMAOJQKLFBJL-SJLPKXTDSA-N 1 2 348.874 3.103 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccncc1Cl)CC2 ZINC001035806155 1343207522 /nfs/dbraw/zinc/20/75/22/1343207522.db2.gz VPJIAXQZANPIFL-UHFFFAOYSA-N 1 2 340.254 3.026 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H](C)n1c(C)ccc1C)CC2 ZINC001035857606 1343233598 /nfs/dbraw/zinc/23/35/98/1343233598.db2.gz XVKZIPQMTYUPLS-KRWDZBQOSA-N 1 2 349.906 3.343 20 30 EGEDLO Cc1scc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)c1C ZINC001038299390 1344368860 /nfs/dbraw/zinc/36/88/60/1344368860.db2.gz GPLDQFWNKMPFNS-QGZVFWFLSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1scc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)c1C ZINC001038299390 1344368869 /nfs/dbraw/zinc/36/88/69/1344368869.db2.gz GPLDQFWNKMPFNS-QGZVFWFLSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1scc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)c1C ZINC001038299387 1344369110 /nfs/dbraw/zinc/36/91/10/1344369110.db2.gz GPLDQFWNKMPFNS-KRWDZBQOSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1scc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)c1C ZINC001038299387 1344369115 /nfs/dbraw/zinc/36/91/15/1344369115.db2.gz GPLDQFWNKMPFNS-KRWDZBQOSA-N 1 2 339.464 3.241 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C)c(F)c1 ZINC001038344198 1344387922 /nfs/dbraw/zinc/38/79/22/1344387922.db2.gz FPLPHUMRHRVDAD-QGZVFWFLSA-N 1 2 341.430 3.126 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C)c(F)c1 ZINC001038344198 1344387925 /nfs/dbraw/zinc/38/79/25/1344387925.db2.gz FPLPHUMRHRVDAD-QGZVFWFLSA-N 1 2 341.430 3.126 20 30 EGEDLO CCc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)s1 ZINC001038479714 1344443942 /nfs/dbraw/zinc/44/39/42/1344443942.db2.gz QHSKRXSEABGXLO-INIZCTEOSA-N 1 2 339.464 3.186 20 30 EGEDLO CCc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)s1 ZINC001038479714 1344443943 /nfs/dbraw/zinc/44/39/43/1344443943.db2.gz QHSKRXSEABGXLO-INIZCTEOSA-N 1 2 339.464 3.186 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)s1 ZINC001038541811 1344476051 /nfs/dbraw/zinc/47/60/51/1344476051.db2.gz XAWAWBKJHNJKEM-QKPAOTATSA-N 1 2 343.496 3.137 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)s1 ZINC001038541811 1344476054 /nfs/dbraw/zinc/47/60/54/1344476054.db2.gz XAWAWBKJHNJKEM-QKPAOTATSA-N 1 2 343.496 3.137 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccccc1 ZINC001039461990 1345080731 /nfs/dbraw/zinc/08/07/31/1345080731.db2.gz UOKRRTOFRZAQFP-MSOLQXFVSA-N 1 2 332.875 3.437 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccccc1 ZINC001039461990 1345080733 /nfs/dbraw/zinc/08/07/33/1345080733.db2.gz UOKRRTOFRZAQFP-MSOLQXFVSA-N 1 2 332.875 3.437 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C ZINC001039462573 1345081298 /nfs/dbraw/zinc/08/12/98/1345081298.db2.gz STHYATQNQZMFOK-OLZOCXBDSA-N 1 2 329.282 3.006 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C ZINC001039462573 1345081299 /nfs/dbraw/zinc/08/12/99/1345081299.db2.gz STHYATQNQZMFOK-OLZOCXBDSA-N 1 2 329.282 3.006 20 30 EGEDLO CC1(CC(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)CC1 ZINC001039772022 1345184625 /nfs/dbraw/zinc/18/46/25/1345184625.db2.gz LYWCBLARSPPECF-BGYRXZFFSA-N 1 2 336.479 3.294 20 30 EGEDLO CC1(CC(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)CC1 ZINC001039772022 1345184629 /nfs/dbraw/zinc/18/46/29/1345184629.db2.gz LYWCBLARSPPECF-BGYRXZFFSA-N 1 2 336.479 3.294 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)s1 ZINC001079368157 1357236084 /nfs/dbraw/zinc/23/60/84/1357236084.db2.gz GGIGTZDDJPRZBE-CXAGYDPISA-N 1 2 339.464 3.179 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)s1 ZINC001079368157 1357236087 /nfs/dbraw/zinc/23/60/87/1357236087.db2.gz GGIGTZDDJPRZBE-CXAGYDPISA-N 1 2 339.464 3.179 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CCN(C(=O)C3(C)CCC3)C[C@@H]21 ZINC001042182269 1345970366 /nfs/dbraw/zinc/97/03/66/1345970366.db2.gz DKPADWRGJXZCKZ-KBPBESRZSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2CCN(C(=O)C3(C)CCC3)C[C@@H]21 ZINC001042182269 1345970365 /nfs/dbraw/zinc/97/03/65/1345970365.db2.gz DKPADWRGJXZCKZ-KBPBESRZSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3cnoc3C(C)C)C[C@H]21 ZINC001042296652 1346021133 /nfs/dbraw/zinc/02/11/33/1346021133.db2.gz DITKDTSWBBITLX-DZGCQCFKSA-N 1 2 337.851 3.087 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cnoc3C(C)C)C[C@H]21 ZINC001042296652 1346021135 /nfs/dbraw/zinc/02/11/35/1346021135.db2.gz DITKDTSWBBITLX-DZGCQCFKSA-N 1 2 337.851 3.087 20 30 EGEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](Cc3ccc(C)c(C)c3)C2)cc1 ZINC001043505502 1346184178 /nfs/dbraw/zinc/18/41/78/1346184178.db2.gz SFLOMWVKZAONFR-UHFFFAOYSA-N 1 2 332.447 3.241 20 30 EGEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+]([C@H]3CCc4c3cccc4F)C2)cc1 ZINC001043505821 1346184655 /nfs/dbraw/zinc/18/46/55/1346184655.db2.gz HBFQAWSYJWZKNR-NRFANRHFSA-N 1 2 348.421 3.251 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(C)s1 ZINC001045840598 1346716434 /nfs/dbraw/zinc/71/64/34/1346716434.db2.gz FNQFTVMUAIBHKK-VKJFTORMSA-N 1 2 348.516 3.014 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(C)s1 ZINC001045840598 1346716435 /nfs/dbraw/zinc/71/64/35/1346716435.db2.gz FNQFTVMUAIBHKK-VKJFTORMSA-N 1 2 348.516 3.014 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2nccs2)C1 ZINC001045844165 1346718756 /nfs/dbraw/zinc/71/87/56/1346718756.db2.gz ITSJKAKPBWEANR-CABCVRRESA-N 1 2 331.485 3.065 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2nccs2)C1 ZINC001045844165 1346718758 /nfs/dbraw/zinc/71/87/58/1346718758.db2.gz ITSJKAKPBWEANR-CABCVRRESA-N 1 2 331.485 3.065 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@@]1(C)CC[N@H+](CC=C(Cl)Cl)C1 ZINC001046375055 1346954592 /nfs/dbraw/zinc/95/45/92/1346954592.db2.gz TUWLBOKNILXRQF-INIZCTEOSA-N 1 2 342.270 3.187 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@@]1(C)CC[N@@H+](CC=C(Cl)Cl)C1 ZINC001046375055 1346954593 /nfs/dbraw/zinc/95/45/93/1346954593.db2.gz TUWLBOKNILXRQF-INIZCTEOSA-N 1 2 342.270 3.187 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@]1(C)CC[N@H+](CC=C(Cl)Cl)C1 ZINC001046375056 1346954671 /nfs/dbraw/zinc/95/46/71/1346954671.db2.gz TUWLBOKNILXRQF-MRXNPFEDSA-N 1 2 342.270 3.187 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@]1(C)CC[N@@H+](CC=C(Cl)Cl)C1 ZINC001046375056 1346954672 /nfs/dbraw/zinc/95/46/72/1346954672.db2.gz TUWLBOKNILXRQF-MRXNPFEDSA-N 1 2 342.270 3.187 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001046426946 1346973806 /nfs/dbraw/zinc/97/38/06/1346973806.db2.gz ZURSAXRKZXUTBE-PKOBYXMFSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001046426946 1346973808 /nfs/dbraw/zinc/97/38/08/1346973808.db2.gz ZURSAXRKZXUTBE-PKOBYXMFSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001046645183 1347047202 /nfs/dbraw/zinc/04/72/02/1347047202.db2.gz XLYFRGPDQZNULL-HNNXBMFYSA-N 1 2 332.753 3.051 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001046645183 1347047203 /nfs/dbraw/zinc/04/72/03/1347047203.db2.gz XLYFRGPDQZNULL-HNNXBMFYSA-N 1 2 332.753 3.051 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cccc3oc(C)nc32)C1 ZINC001046867285 1347138989 /nfs/dbraw/zinc/13/89/89/1347138989.db2.gz YLKNRVKATRKCTB-KRWDZBQOSA-N 1 2 333.819 3.083 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cccc3oc(C)nc32)C1 ZINC001046867285 1347138990 /nfs/dbraw/zinc/13/89/90/1347138990.db2.gz YLKNRVKATRKCTB-KRWDZBQOSA-N 1 2 333.819 3.083 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccccc2C)C1 ZINC001046910965 1347150042 /nfs/dbraw/zinc/15/00/42/1347150042.db2.gz VKUJNXGOGZMBJT-AWEZNQCLSA-N 1 2 342.817 3.435 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccccc2C)C1 ZINC001046910965 1347150044 /nfs/dbraw/zinc/15/00/44/1347150044.db2.gz VKUJNXGOGZMBJT-AWEZNQCLSA-N 1 2 342.817 3.435 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(Cl)c2C)C1 ZINC001079738777 1357362506 /nfs/dbraw/zinc/36/25/06/1357362506.db2.gz POAANWFLHXBNLV-MEBBXXQBSA-N 1 2 327.255 3.451 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(Cl)c2C)C1 ZINC001079738777 1357362510 /nfs/dbraw/zinc/36/25/10/1357362510.db2.gz POAANWFLHXBNLV-MEBBXXQBSA-N 1 2 327.255 3.451 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1 ZINC001049297436 1347777866 /nfs/dbraw/zinc/77/78/66/1347777866.db2.gz KGQGJZVEOBQAFV-HZPDHXFCSA-N 1 2 349.272 3.274 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1 ZINC001049297436 1347777869 /nfs/dbraw/zinc/77/78/69/1347777869.db2.gz KGQGJZVEOBQAFV-HZPDHXFCSA-N 1 2 349.272 3.274 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)C1CC1 ZINC001049404507 1347827084 /nfs/dbraw/zinc/82/70/84/1347827084.db2.gz RTRGDYYMCDPMLW-NWANDNLSSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)C1CC1 ZINC001049404507 1347827087 /nfs/dbraw/zinc/82/70/87/1347827087.db2.gz RTRGDYYMCDPMLW-NWANDNLSSA-N 1 2 341.293 3.006 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1coc(C2CC2)n1 ZINC001049646034 1347952361 /nfs/dbraw/zinc/95/23/61/1347952361.db2.gz ORVXUFDEWWHPBS-SJORKVTESA-N 1 2 343.471 3.330 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1coc(C2CC2)n1 ZINC001049646034 1347952363 /nfs/dbraw/zinc/95/23/63/1347952363.db2.gz ORVXUFDEWWHPBS-SJORKVTESA-N 1 2 343.471 3.330 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)C(C)C ZINC001049769148 1348011806 /nfs/dbraw/zinc/01/18/06/1348011806.db2.gz NQOSCAHCRLGFCE-RBSFLKMASA-N 1 2 343.309 3.252 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)C(C)C ZINC001049769148 1348011809 /nfs/dbraw/zinc/01/18/09/1348011809.db2.gz NQOSCAHCRLGFCE-RBSFLKMASA-N 1 2 343.309 3.252 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1coc(CC2CC2)n1 ZINC001049825864 1348042164 /nfs/dbraw/zinc/04/21/64/1348042164.db2.gz GEWLQMMIKVNUCV-CVEARBPZSA-N 1 2 349.862 3.059 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1coc(CC2CC2)n1 ZINC001049825864 1348042166 /nfs/dbraw/zinc/04/21/66/1348042166.db2.gz GEWLQMMIKVNUCV-CVEARBPZSA-N 1 2 349.862 3.059 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc([C@H](C)CC)cc1)O2 ZINC001053701253 1349098674 /nfs/dbraw/zinc/09/86/74/1349098674.db2.gz QDGMGQYCIODZDV-VQIMIIECSA-N 1 2 342.483 3.349 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC001054048300 1349138356 /nfs/dbraw/zinc/13/83/56/1349138356.db2.gz YEDDEWMPMPCNCG-FQEVSTJZSA-N 1 2 336.479 3.133 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC001054048300 1349138358 /nfs/dbraw/zinc/13/83/58/1349138358.db2.gz YEDDEWMPMPCNCG-FQEVSTJZSA-N 1 2 336.479 3.133 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc([C@H]4C[C@H]4C)o3)cc2C1 ZINC001054264627 1349262877 /nfs/dbraw/zinc/26/28/77/1349262877.db2.gz NHPKYBDMBTZPDT-KDOFPFPSSA-N 1 2 334.419 3.282 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc([C@H]4C[C@H]4C)o3)cc2C1 ZINC001054264627 1349262880 /nfs/dbraw/zinc/26/28/80/1349262880.db2.gz NHPKYBDMBTZPDT-KDOFPFPSSA-N 1 2 334.419 3.282 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc(F)ccc3CC)cc2C1 ZINC001054272890 1349271891 /nfs/dbraw/zinc/27/18/91/1349271891.db2.gz JWJFSNJQDKKTRB-UHFFFAOYSA-N 1 2 336.410 3.267 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc(F)ccc3CC)cc2C1 ZINC001054272890 1349271893 /nfs/dbraw/zinc/27/18/93/1349271893.db2.gz JWJFSNJQDKKTRB-UHFFFAOYSA-N 1 2 336.410 3.267 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccccc3C)cc2C1 ZINC001054285618 1349287934 /nfs/dbraw/zinc/28/79/34/1349287934.db2.gz QWWDJYHAOZAUPZ-FCHUYYIVSA-N 1 2 344.458 3.364 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccccc3C)cc2C1 ZINC001054285618 1349287936 /nfs/dbraw/zinc/28/79/36/1349287936.db2.gz QWWDJYHAOZAUPZ-FCHUYYIVSA-N 1 2 344.458 3.364 20 30 EGEDLO C=CCCCC(=O)N1CC(N(CC)C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001080236231 1357533517 /nfs/dbraw/zinc/53/35/17/1357533517.db2.gz JTIHWDOZXYHMBP-UHFFFAOYSA-N 1 2 343.471 3.036 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C(C)(C)C1CC1 ZINC001080297820 1357561246 /nfs/dbraw/zinc/56/12/46/1357561246.db2.gz OPLJOFUWOMHLKV-FZKQIMNGSA-N 1 2 343.446 3.070 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C(C)(C)C1CC1 ZINC001080297820 1357561249 /nfs/dbraw/zinc/56/12/49/1357561249.db2.gz OPLJOFUWOMHLKV-FZKQIMNGSA-N 1 2 343.446 3.070 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001061259443 1351330986 /nfs/dbraw/zinc/33/09/86/1351330986.db2.gz OUYRBIYFEFDPPA-YLJYHZDGSA-N 1 2 344.503 3.431 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ncoc3C(C)C)C[C@H]2C)CC1 ZINC001080391421 1357601169 /nfs/dbraw/zinc/60/11/69/1357601169.db2.gz DSYZCQGIJJKFIE-NVXWUHKLSA-N 1 2 345.487 3.481 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ncoc3C(C)C)C[C@H]2C)CC1 ZINC001080391421 1357601172 /nfs/dbraw/zinc/60/11/72/1357601172.db2.gz DSYZCQGIJJKFIE-NVXWUHKLSA-N 1 2 345.487 3.481 20 30 EGEDLO C#Cc1ccc(C(=O)N2CC[C@H](Nc3cc[nH+]c(C)n3)[C@H](CC)C2)cc1 ZINC001064407649 1352568008 /nfs/dbraw/zinc/56/80/08/1352568008.db2.gz KBJLEYUHXOEHBD-MJGOQNOKSA-N 1 2 348.450 3.119 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CCN(c3nc(C)[nH+]c(C)c3C)[C@@H]2C1 ZINC001064695695 1352668059 /nfs/dbraw/zinc/66/80/59/1352668059.db2.gz SFYMZXHHWQRCDJ-IAGOWNOFSA-N 1 2 342.487 3.041 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@@H](Nc3cc[nH+]c(C)n3)C(C)(C)C2)CC1 ZINC001069611765 1354169002 /nfs/dbraw/zinc/16/90/02/1354169002.db2.gz NOROSYVWYVLWAS-MRXNPFEDSA-N 1 2 328.460 3.180 20 30 EGEDLO Cc1ccccc1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001085464969 1358519780 /nfs/dbraw/zinc/51/97/80/1358519780.db2.gz QKXPBAORQVONLY-HNNXBMFYSA-N 1 2 339.464 3.275 20 30 EGEDLO Cc1ccccc1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001085464969 1358519784 /nfs/dbraw/zinc/51/97/84/1358519784.db2.gz QKXPBAORQVONLY-HNNXBMFYSA-N 1 2 339.464 3.275 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)c2ccoc2)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001071350137 1354618865 /nfs/dbraw/zinc/61/88/65/1354618865.db2.gz QWJVJVJDXMPPNK-SUMWQHHRSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)c2ccoc2)C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001071350137 1354618871 /nfs/dbraw/zinc/61/88/71/1354618871.db2.gz QWJVJVJDXMPPNK-SUMWQHHRSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)CC2CCC2)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC001071399269 1354660734 /nfs/dbraw/zinc/66/07/34/1354660734.db2.gz QFCKQPXJRTXDAU-IFXJQAMLSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)CC2CCC2)C[N@H+]1Cc1cc(F)ccc1C#N ZINC001071399269 1354660740 /nfs/dbraw/zinc/66/07/40/1354660740.db2.gz QFCKQPXJRTXDAU-IFXJQAMLSA-N 1 2 343.446 3.357 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccc3c2CCOC3)CC[C@@H]1C ZINC001071678716 1354846021 /nfs/dbraw/zinc/84/60/21/1354846021.db2.gz GCIARJARDOPWRO-GOEBONIOSA-N 1 2 348.874 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cccc3c2CCOC3)CC[C@@H]1C ZINC001071678716 1354846026 /nfs/dbraw/zinc/84/60/26/1354846026.db2.gz GCIARJARDOPWRO-GOEBONIOSA-N 1 2 348.874 3.095 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2nccc3occc32)CC[C@@H]1C ZINC001071702129 1354861299 /nfs/dbraw/zinc/86/12/99/1354861299.db2.gz UMKWSTJLUQWXBD-QWHCGFSZSA-N 1 2 333.819 3.163 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2nccc3occc32)CC[C@@H]1C ZINC001071702129 1354861308 /nfs/dbraw/zinc/86/13/08/1354861308.db2.gz UMKWSTJLUQWXBD-QWHCGFSZSA-N 1 2 333.819 3.163 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C2(C)CCC2)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC001071741305 1354891736 /nfs/dbraw/zinc/89/17/36/1354891736.db2.gz FWABGRAHSLHWBZ-RHSMWYFYSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C2(C)CCC2)C[N@H+]1Cc1cc(C#N)ccc1F ZINC001071741305 1354891738 /nfs/dbraw/zinc/89/17/38/1354891738.db2.gz FWABGRAHSLHWBZ-RHSMWYFYSA-N 1 2 343.446 3.357 20 30 EGEDLO C=C1CCC(C(=O)N2CCCC[C@H]2C[N@@H+](C)Cc2ncccn2)CC1 ZINC001089220482 1360263664 /nfs/dbraw/zinc/26/36/64/1360263664.db2.gz NGPJMRGQETZSPK-SFHVURJKSA-N 1 2 342.487 3.036 20 30 EGEDLO C=C1CCC(C(=O)N2CCCC[C@H]2C[N@H+](C)Cc2ncccn2)CC1 ZINC001089220482 1360263669 /nfs/dbraw/zinc/26/36/69/1360263669.db2.gz NGPJMRGQETZSPK-SFHVURJKSA-N 1 2 342.487 3.036 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3cncc(F)c3)C2)CC1 ZINC001071796725 1354941198 /nfs/dbraw/zinc/94/11/98/1354941198.db2.gz WMMPQAGDSWPALG-HNAYVOBHSA-N 1 2 345.462 3.436 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3cncc(F)c3)C2)CC1 ZINC001071796725 1354941199 /nfs/dbraw/zinc/94/11/99/1354941199.db2.gz WMMPQAGDSWPALG-HNAYVOBHSA-N 1 2 345.462 3.436 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3cncc(F)c3)C2)CC1 ZINC001071796726 1354941500 /nfs/dbraw/zinc/94/15/00/1354941500.db2.gz WMMPQAGDSWPALG-KXBFYZLASA-N 1 2 345.462 3.436 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3cncc(F)c3)C2)CC1 ZINC001071796726 1354941503 /nfs/dbraw/zinc/94/15/03/1354941503.db2.gz WMMPQAGDSWPALG-KXBFYZLASA-N 1 2 345.462 3.436 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3snnc3C)C2)CC1 ZINC001071796195 1354941733 /nfs/dbraw/zinc/94/17/33/1354941733.db2.gz QJOMRDNELNFPTO-BBRMVZONSA-N 1 2 348.516 3.062 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3snnc3C)C2)CC1 ZINC001071796195 1354941738 /nfs/dbraw/zinc/94/17/38/1354941738.db2.gz QJOMRDNELNFPTO-BBRMVZONSA-N 1 2 348.516 3.062 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2Cc3ccccc3C2)CC[C@H]1C ZINC001071847576 1354977067 /nfs/dbraw/zinc/97/70/67/1354977067.db2.gz LSNFSSJLOGBGFQ-RDTXWAMCSA-N 1 2 332.875 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2Cc3ccccc3C2)CC[C@H]1C ZINC001071847576 1354977075 /nfs/dbraw/zinc/97/70/75/1354977075.db2.gz LSNFSSJLOGBGFQ-RDTXWAMCSA-N 1 2 332.875 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cccc(OCC)c2)CC[C@H]1C ZINC001071854451 1354982825 /nfs/dbraw/zinc/98/28/25/1354982825.db2.gz ADEWSOGCIMMJLF-GDBMZVCRSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccc(OCC)c2)CC[C@H]1C ZINC001071854451 1354982830 /nfs/dbraw/zinc/98/28/30/1354982830.db2.gz ADEWSOGCIMMJLF-GDBMZVCRSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc3c(c2)CCN3C)CC[C@@H]1C ZINC001071967757 1355049285 /nfs/dbraw/zinc/04/92/85/1355049285.db2.gz PBAJBOWPVKXDEY-WMLDXEAASA-N 1 2 347.890 3.014 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc3c(c2)CCN3C)CC[C@@H]1C ZINC001071967757 1355049289 /nfs/dbraw/zinc/04/92/89/1355049289.db2.gz PBAJBOWPVKXDEY-WMLDXEAASA-N 1 2 347.890 3.014 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc(Cl)cn2)CC[C@H]1C ZINC001072009314 1355073279 /nfs/dbraw/zinc/07/32/79/1355073279.db2.gz UOXDRTBRWZPBQW-YPMHNXCESA-N 1 2 328.243 3.070 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc(Cl)cn2)CC[C@H]1C ZINC001072009314 1355073280 /nfs/dbraw/zinc/07/32/80/1355073280.db2.gz UOXDRTBRWZPBQW-YPMHNXCESA-N 1 2 328.243 3.070 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(F)cn1 ZINC001089630451 1360547892 /nfs/dbraw/zinc/54/78/92/1360547892.db2.gz JONDTQCAQUUTLI-CQSZACIVSA-N 1 2 339.842 3.194 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(F)cn1 ZINC001089630451 1360547895 /nfs/dbraw/zinc/54/78/95/1360547895.db2.gz JONDTQCAQUUTLI-CQSZACIVSA-N 1 2 339.842 3.194 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc(N(C)CC)cc2)CC[C@@H]1C ZINC001072116007 1355140276 /nfs/dbraw/zinc/14/02/76/1355140276.db2.gz GFVCKKJRBUKFFX-DOTOQJQBSA-N 1 2 349.906 3.478 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc(N(C)CC)cc2)CC[C@@H]1C ZINC001072116007 1355140279 /nfs/dbraw/zinc/14/02/79/1355140279.db2.gz GFVCKKJRBUKFFX-DOTOQJQBSA-N 1 2 349.906 3.478 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001094712916 1361898170 /nfs/dbraw/zinc/89/81/70/1361898170.db2.gz NONIOOZVMBWTGW-ZIAGYGMSSA-N 1 2 330.476 3.040 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)C3CCCC3)C[C@H]21 ZINC001074267024 1356149825 /nfs/dbraw/zinc/14/98/25/1356149825.db2.gz VVGFDCAMGWJFLF-MSOLQXFVSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)C3CCCC3)C[C@H]21 ZINC001074267024 1356149827 /nfs/dbraw/zinc/14/98/27/1356149827.db2.gz VVGFDCAMGWJFLF-MSOLQXFVSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4ncsc4c3)[C@@H]2C1 ZINC001076530409 1356605801 /nfs/dbraw/zinc/60/58/01/1356605801.db2.gz MOUUCDIIKDXXAZ-DZGCQCFKSA-N 1 2 347.871 3.195 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4ncsc4c3)[C@@H]2C1 ZINC001076530409 1356605808 /nfs/dbraw/zinc/60/58/08/1356605808.db2.gz MOUUCDIIKDXXAZ-DZGCQCFKSA-N 1 2 347.871 3.195 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3ccncc3c2)C1 ZINC001080727106 1357728809 /nfs/dbraw/zinc/72/88/09/1357728809.db2.gz GSZJIIWRJQRDOE-SJKOYZFVSA-N 1 2 329.831 3.037 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3ccncc3c2)C1 ZINC001080727106 1357728814 /nfs/dbraw/zinc/72/88/14/1357728814.db2.gz GSZJIIWRJQRDOE-SJKOYZFVSA-N 1 2 329.831 3.037 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001077775847 1356839743 /nfs/dbraw/zinc/83/97/43/1356839743.db2.gz QUDPURXKSJSVLJ-VBKZILBWSA-N 1 2 345.487 3.234 20 30 EGEDLO C[C@@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)CC=CCC1 ZINC001084368550 1358201195 /nfs/dbraw/zinc/20/11/95/1358201195.db2.gz GOCMIYRFDTVMHU-KCZVDYSFSA-N 1 2 349.478 3.337 20 30 EGEDLO C[C@@]1(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)CC=CCC1 ZINC001084368550 1358201197 /nfs/dbraw/zinc/20/11/97/1358201197.db2.gz GOCMIYRFDTVMHU-KCZVDYSFSA-N 1 2 349.478 3.337 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C(C)C)nc3)[C@@H]2C1 ZINC001084405256 1358207947 /nfs/dbraw/zinc/20/79/47/1358207947.db2.gz FFNCDPKTYVDGOF-NVXWUHKLSA-N 1 2 333.863 3.104 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C(C)C)nc3)[C@@H]2C1 ZINC001084405256 1358207952 /nfs/dbraw/zinc/20/79/52/1358207952.db2.gz FFNCDPKTYVDGOF-NVXWUHKLSA-N 1 2 333.863 3.104 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3cccc(C)c3)[C@@H]2C1 ZINC001084553644 1358236572 /nfs/dbraw/zinc/23/65/72/1358236572.db2.gz SSYRARXZHAUCPE-QZTJIDSGSA-N 1 2 332.875 3.213 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3cccc(C)c3)[C@@H]2C1 ZINC001084553644 1358236579 /nfs/dbraw/zinc/23/65/79/1358236579.db2.gz SSYRARXZHAUCPE-QZTJIDSGSA-N 1 2 332.875 3.213 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccncc3)C(C)C)[C@@H]2C1 ZINC001084609084 1358254879 /nfs/dbraw/zinc/25/48/79/1358254879.db2.gz VFALHHZHMCJSAZ-KZNAEPCWSA-N 1 2 347.890 3.106 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccncc3)C(C)C)[C@@H]2C1 ZINC001084609084 1358254883 /nfs/dbraw/zinc/25/48/83/1358254883.db2.gz VFALHHZHMCJSAZ-KZNAEPCWSA-N 1 2 347.890 3.106 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3[C@@H]4CCCCCC[C@@H]34)[C@@H]2C1 ZINC001084680636 1358277198 /nfs/dbraw/zinc/27/71/98/1358277198.db2.gz WJQGKIMMRAPYDF-QBPKDAKJSA-N 1 2 336.907 3.488 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3[C@@H]4CCCCCC[C@@H]34)[C@@H]2C1 ZINC001084680636 1358277205 /nfs/dbraw/zinc/27/72/05/1358277205.db2.gz WJQGKIMMRAPYDF-QBPKDAKJSA-N 1 2 336.907 3.488 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3coc4ccc(F)cc34)[C@@H]2C1 ZINC001084801168 1358313816 /nfs/dbraw/zinc/31/38/16/1358313816.db2.gz NZITZIATHRVKRA-MLGOLLRUSA-N 1 2 348.805 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3coc4ccc(F)cc34)[C@@H]2C1 ZINC001084801168 1358313818 /nfs/dbraw/zinc/31/38/18/1358313818.db2.gz NZITZIATHRVKRA-MLGOLLRUSA-N 1 2 348.805 3.471 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)c1cccc(F)c1 ZINC001085464093 1358519208 /nfs/dbraw/zinc/51/92/08/1358519208.db2.gz UOMLYIRDBHOZLK-FQEVSTJZSA-N 1 2 336.410 3.024 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)c1cccc(F)c1 ZINC001085464093 1358519211 /nfs/dbraw/zinc/51/92/11/1358519211.db2.gz UOMLYIRDBHOZLK-FQEVSTJZSA-N 1 2 336.410 3.024 20 30 EGEDLO N#Cc1c[nH]c2cc(NC(=O)[C@@H]3CC[N@@H+]3Cc3ccccc3)ccc12 ZINC001183750141 1387342354 /nfs/dbraw/zinc/34/23/54/1387342354.db2.gz DVNUDXPJVKQBOR-IBGZPJMESA-N 1 2 330.391 3.253 20 30 EGEDLO N#Cc1c[nH]c2cc(NC(=O)[C@@H]3CC[N@H+]3Cc3ccccc3)ccc12 ZINC001183750141 1387342361 /nfs/dbraw/zinc/34/23/61/1387342361.db2.gz DVNUDXPJVKQBOR-IBGZPJMESA-N 1 2 330.391 3.253 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)C1C(C)(C)C1(C)C ZINC001085536895 1358574575 /nfs/dbraw/zinc/57/45/75/1358574575.db2.gz LVAJLGUWIYOXOB-SFHVURJKSA-N 1 2 338.495 3.253 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)C1C(C)(C)C1(C)C ZINC001085536895 1358574580 /nfs/dbraw/zinc/57/45/80/1358574580.db2.gz LVAJLGUWIYOXOB-SFHVURJKSA-N 1 2 338.495 3.253 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)C1=CCCCCC1 ZINC001085564431 1358597912 /nfs/dbraw/zinc/59/79/12/1358597912.db2.gz MOJYGZYXBAHEJT-HXUWFJFHSA-N 1 2 337.467 3.481 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)C1=CCCCCC1 ZINC001085564431 1358597914 /nfs/dbraw/zinc/59/79/14/1358597914.db2.gz MOJYGZYXBAHEJT-HXUWFJFHSA-N 1 2 337.467 3.481 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001085606974 1358629406 /nfs/dbraw/zinc/62/94/06/1358629406.db2.gz DBUDUYYSCFHCPV-CIAFKFPVSA-N 1 2 348.490 3.173 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001085606974 1358629409 /nfs/dbraw/zinc/62/94/09/1358629409.db2.gz DBUDUYYSCFHCPV-CIAFKFPVSA-N 1 2 348.490 3.173 20 30 EGEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C2CC2)oc1C1CC1 ZINC001085730950 1358719516 /nfs/dbraw/zinc/71/95/16/1358719516.db2.gz NBCCUUHYRSNCCL-MRXNPFEDSA-N 1 2 326.440 3.204 20 30 EGEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C2CC2)oc1C1CC1 ZINC001085730950 1358719517 /nfs/dbraw/zinc/71/95/17/1358719517.db2.gz NBCCUUHYRSNCCL-MRXNPFEDSA-N 1 2 326.440 3.204 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1CCC(C)(C)C1 ZINC001085802891 1358778808 /nfs/dbraw/zinc/77/88/08/1358778808.db2.gz DNQNYYSPGLIQMU-VQIMIIECSA-N 1 2 339.483 3.417 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1CCC(C)(C)C1 ZINC001085802891 1358778812 /nfs/dbraw/zinc/77/88/12/1358778812.db2.gz DNQNYYSPGLIQMU-VQIMIIECSA-N 1 2 339.483 3.417 20 30 EGEDLO C=C(Cl)C[NH+]1CCC2(C[C@H](C)N(C(=O)C(=O)C(C)(C)C)C2)CC1 ZINC001086909697 1359237491 /nfs/dbraw/zinc/23/74/91/1359237491.db2.gz BDVIETBTOVZZCB-AWEZNQCLSA-N 1 2 340.895 3.057 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001087434454 1359464208 /nfs/dbraw/zinc/46/42/08/1359464208.db2.gz NDNJADNUWWEVLJ-BNEJOLLZSA-N 1 2 332.875 3.369 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001087434454 1359464209 /nfs/dbraw/zinc/46/42/09/1359464209.db2.gz NDNJADNUWWEVLJ-BNEJOLLZSA-N 1 2 332.875 3.369 20 30 EGEDLO C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cncs2)C1 ZINC001087453354 1359473459 /nfs/dbraw/zinc/47/34/59/1359473459.db2.gz OMVTVOGNEWVJLP-HZPDHXFCSA-N 1 2 345.443 3.056 20 30 EGEDLO C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cncs2)C1 ZINC001087453354 1359473463 /nfs/dbraw/zinc/47/34/63/1359473463.db2.gz OMVTVOGNEWVJLP-HZPDHXFCSA-N 1 2 345.443 3.056 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2cccs2)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088452874 1359917849 /nfs/dbraw/zinc/91/78/49/1359917849.db2.gz JCVTWABTHDIACX-WBMJQRKESA-N 1 2 343.427 3.152 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2cccs2)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088452874 1359917851 /nfs/dbraw/zinc/91/78/51/1359917851.db2.gz JCVTWABTHDIACX-WBMJQRKESA-N 1 2 343.427 3.152 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(Cl)o2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088471549 1359932088 /nfs/dbraw/zinc/93/20/88/1359932088.db2.gz RUOSGDHVAVCULH-DOMZBBRYSA-N 1 2 343.814 3.197 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(Cl)o2)CC[N@H+]1Cc1ccccc1C#N ZINC001088471549 1359932090 /nfs/dbraw/zinc/93/20/90/1359932090.db2.gz RUOSGDHVAVCULH-DOMZBBRYSA-N 1 2 343.814 3.197 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2coc3c2cccc3OC)[C@H]1C ZINC001088570419 1359976125 /nfs/dbraw/zinc/97/61/25/1359976125.db2.gz UDBYZGKQOHKRJR-DOMZBBRYSA-N 1 2 348.830 3.387 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2coc3c2cccc3OC)[C@H]1C ZINC001088570419 1359976128 /nfs/dbraw/zinc/97/61/28/1359976128.db2.gz UDBYZGKQOHKRJR-DOMZBBRYSA-N 1 2 348.830 3.387 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CC=CCC2)[C@H]1C ZINC001088588792 1359982967 /nfs/dbraw/zinc/98/29/67/1359982967.db2.gz BFNKDSWBBKZBDA-YCPHGPKFSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CC=CCC2)[C@H]1C ZINC001088588792 1359982970 /nfs/dbraw/zinc/98/29/70/1359982970.db2.gz BFNKDSWBBKZBDA-YCPHGPKFSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3cc(C)cn3c2)[C@H]1C ZINC001088610899 1359990806 /nfs/dbraw/zinc/99/08/06/1359990806.db2.gz QRLJDLCVTHRIAL-PBHICJAKSA-N 1 2 331.847 3.193 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3cc(C)cn3c2)[C@H]1C ZINC001088610899 1359990808 /nfs/dbraw/zinc/99/08/08/1359990808.db2.gz QRLJDLCVTHRIAL-PBHICJAKSA-N 1 2 331.847 3.193 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC2(C)C)[C@H]1C ZINC001088801768 1360053347 /nfs/dbraw/zinc/05/33/47/1360053347.db2.gz PGAAVJPZBOPZKD-RDBSUJKOSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC2(C)C)[C@H]1C ZINC001088801768 1360053352 /nfs/dbraw/zinc/05/33/52/1360053352.db2.gz PGAAVJPZBOPZKD-RDBSUJKOSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc3cnccc32)[C@H]1C ZINC001089039701 1360144171 /nfs/dbraw/zinc/14/41/71/1360144171.db2.gz BAUQNVXPZULOAP-DYVFJYSZSA-N 1 2 329.831 3.180 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc3cnccc32)[C@H]1C ZINC001089039701 1360144174 /nfs/dbraw/zinc/14/41/74/1360144174.db2.gz BAUQNVXPZULOAP-DYVFJYSZSA-N 1 2 329.831 3.180 20 30 EGEDLO CC(C)=CC(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001089108388 1360173284 /nfs/dbraw/zinc/17/32/84/1360173284.db2.gz KYWUZJXAWGEQDN-IBGZPJMESA-N 1 2 343.446 3.476 20 30 EGEDLO CC(C)=CC(=O)N1CCCC[C@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC001089108388 1360173287 /nfs/dbraw/zinc/17/32/87/1360173287.db2.gz KYWUZJXAWGEQDN-IBGZPJMESA-N 1 2 343.446 3.476 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CC[C@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089163057 1360220220 /nfs/dbraw/zinc/22/02/20/1360220220.db2.gz XDPDJUGEMPXBBV-SUMWQHHRSA-N 1 2 330.476 3.232 20 30 EGEDLO C[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC001089208588 1360254310 /nfs/dbraw/zinc/25/43/10/1360254310.db2.gz VMTNLDFSBHTHIU-MDASCCDHSA-N 1 2 343.446 3.166 20 30 EGEDLO C[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001089208588 1360254319 /nfs/dbraw/zinc/25/43/19/1360254319.db2.gz VMTNLDFSBHTHIU-MDASCCDHSA-N 1 2 343.446 3.166 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(OC)o1 ZINC001089716656 1360618592 /nfs/dbraw/zinc/61/85/92/1360618592.db2.gz NPZHZOFWXDVXRM-CYBMUJFWSA-N 1 2 340.851 3.261 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(OC)o1 ZINC001089716656 1360618595 /nfs/dbraw/zinc/61/85/95/1360618595.db2.gz NPZHZOFWXDVXRM-CYBMUJFWSA-N 1 2 340.851 3.261 20 30 EGEDLO C=CCCCC(=O)NC[C@@H](C)N(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001089732836 1360636970 /nfs/dbraw/zinc/63/69/70/1360636970.db2.gz FHYLQBLWHVTYCQ-OAHLLOKOSA-N 1 2 330.476 3.350 20 30 EGEDLO C=CCCC1(C(=O)NCCC2(CNc3cc[nH+]c(C)n3)CC2)CC1 ZINC001089993932 1360783397 /nfs/dbraw/zinc/78/33/97/1360783397.db2.gz FFLHXSNBPVFFIP-UHFFFAOYSA-N 1 2 328.460 3.230 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H]2C[C@H](Nc3cc(C)[nH+]c(C4CC4)n3)C2)C1 ZINC001091510257 1361131525 /nfs/dbraw/zinc/13/15/25/1361131525.db2.gz ZWHFTCKEYMVSSN-KOMQPUFPSA-N 1 2 340.471 3.325 20 30 EGEDLO Cc1cc(N[C@@H]2CC[C@H](CNC(=O)C#CC3CC3)C2)nc(C(C)C)[nH+]1 ZINC001091572012 1361147953 /nfs/dbraw/zinc/14/79/53/1361147953.db2.gz YISBUJSADMLRCC-DLBZAZTESA-N 1 2 340.471 3.019 20 30 EGEDLO Cc1nc(NCC[C@@H]2[C@@H](C)CCCN2C(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001091657901 1361172634 /nfs/dbraw/zinc/17/26/34/1361172634.db2.gz HXWVNMCGTISYKX-DOTOQJQBSA-N 1 2 342.487 3.264 20 30 EGEDLO C=CCCC(=O)N1CCCC[C@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001092072023 1361288990 /nfs/dbraw/zinc/28/89/90/1361288990.db2.gz PJFCXNXMERVWHR-KRWDZBQOSA-N 1 2 330.476 3.185 20 30 EGEDLO C#CCCCCCC(=O)N1CCCC[C@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001092075204 1361290262 /nfs/dbraw/zinc/29/02/62/1361290262.db2.gz DIKNXTWYXLACOS-SFHVURJKSA-N 1 2 342.487 3.186 20 30 EGEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(C(C)C)n1 ZINC001092908669 1361485044 /nfs/dbraw/zinc/48/50/44/1361485044.db2.gz JXSIBTNOQXFVAY-IKGGRYGDSA-N 1 2 342.487 3.491 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001093044802 1361515365 /nfs/dbraw/zinc/51/53/65/1361515365.db2.gz MPRGDLRJVUETQN-DICRZQGBSA-N 1 2 342.487 3.176 20 30 EGEDLO Cc1cc(NC2(CNC(=O)[C@H](C)C#N)CCCCC2)nc(C(C)C)[nH+]1 ZINC001093389064 1361598908 /nfs/dbraw/zinc/59/89/08/1361598908.db2.gz WWWRKEQOHMDSJF-CQSZACIVSA-N 1 2 343.475 3.299 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3CCCC[C@H]3CC)CC2)C1 ZINC001093587588 1361650316 /nfs/dbraw/zinc/65/03/16/1361650316.db2.gz WCOXQMMDKUITJJ-APWZRJJASA-N 1 2 334.504 3.081 20 30 EGEDLO Cc1cc(NCCCCCCNC(=O)[C@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001094931460 1361949246 /nfs/dbraw/zinc/94/92/46/1361949246.db2.gz KOWRRPUMCUHIQG-CQSZACIVSA-N 1 2 331.464 3.157 20 30 EGEDLO C=C(C)CCC(=O)N1CCC(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001095239471 1362064035 /nfs/dbraw/zinc/06/40/35/1362064035.db2.gz ROGLHPYSJLWSHK-UHFFFAOYSA-N 1 2 342.487 3.423 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)o1 ZINC001095286344 1362083921 /nfs/dbraw/zinc/08/39/21/1362083921.db2.gz PPFWNCKNHVAZGZ-QYZOEREBSA-N 1 2 349.434 3.303 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)o1 ZINC001095286344 1362083922 /nfs/dbraw/zinc/08/39/22/1362083922.db2.gz PPFWNCKNHVAZGZ-QYZOEREBSA-N 1 2 349.434 3.303 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C=C2CCC2)C3)c1 ZINC001095299219 1362089574 /nfs/dbraw/zinc/08/95/74/1362089574.db2.gz RCTUJHWOPHGIHQ-NEWSRXKRSA-N 1 2 339.414 3.029 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C=C2CCC2)C3)c1 ZINC001095299219 1362089580 /nfs/dbraw/zinc/08/95/80/1362089580.db2.gz RCTUJHWOPHGIHQ-NEWSRXKRSA-N 1 2 339.414 3.029 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095376143 1362120123 /nfs/dbraw/zinc/12/01/23/1362120123.db2.gz OAOWGAHVFXHVAL-UONOGXRCSA-N 1 2 344.503 3.193 20 30 EGEDLO C#CCCCCCC(=O)NCCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001095703395 1362205793 /nfs/dbraw/zinc/20/57/93/1362205793.db2.gz NSLKINYMSURNOB-UHFFFAOYSA-N 1 2 342.487 3.189 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001095727937 1362214805 /nfs/dbraw/zinc/21/48/05/1362214805.db2.gz JAWYKUYRRADQCE-IBGZPJMESA-N 1 2 332.492 3.453 20 30 EGEDLO C#CCCCCC(=O)NCCCN(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001095858473 1362257889 /nfs/dbraw/zinc/25/78/89/1362257889.db2.gz VXSFVKDLNIPEDL-UHFFFAOYSA-N 1 2 342.487 3.189 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC3(CCC3)C1)C2 ZINC001095884436 1362268896 /nfs/dbraw/zinc/26/88/96/1362268896.db2.gz COGMWIIIRWMEIW-AABGKKOBSA-N 1 2 349.478 3.360 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC3(CCC3)C1)C2 ZINC001095884436 1362268898 /nfs/dbraw/zinc/26/88/98/1362268898.db2.gz COGMWIIIRWMEIW-AABGKKOBSA-N 1 2 349.478 3.360 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)c(OCC)c1)C2 ZINC001096097848 1362381277 /nfs/dbraw/zinc/38/12/77/1362381277.db2.gz MVDRSGOQPCKSKM-IKGGRYGDSA-N 1 2 348.874 3.481 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)c(OCC)c1)C2 ZINC001096097848 1362381286 /nfs/dbraw/zinc/38/12/86/1362381286.db2.gz MVDRSGOQPCKSKM-IKGGRYGDSA-N 1 2 348.874 3.481 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096208467 1362432452 /nfs/dbraw/zinc/43/24/52/1362432452.db2.gz KQKHAMXVUIMALY-MRXNPFEDSA-N 1 2 328.460 3.104 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001096209158 1362432916 /nfs/dbraw/zinc/43/29/16/1362432916.db2.gz VJUMFKZYDBIQQS-GOSISDBHSA-N 1 2 342.487 3.255 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096221310 1362438343 /nfs/dbraw/zinc/43/83/43/1362438343.db2.gz NHJPJDHESVHKNL-RHSMWYFYSA-N 1 2 342.487 3.350 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096224257 1362440985 /nfs/dbraw/zinc/44/09/85/1362440985.db2.gz ZIBLSVRXIKBBFT-QGZVFWFLSA-N 1 2 342.487 3.187 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CCCN(c3nc(C)[nH+]c(C)c3C)C2)CCC1 ZINC001096229897 1362444587 /nfs/dbraw/zinc/44/45/87/1362444587.db2.gz ZXLGEIYOTGCODY-KRWDZBQOSA-N 1 2 342.487 3.233 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096471693 1362524996 /nfs/dbraw/zinc/52/49/96/1362524996.db2.gz NUEWVXJXPHMAFZ-HOCLYGCPSA-N 1 2 330.476 3.206 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)c1cccc(OC)c1)C2 ZINC001096616273 1362598205 /nfs/dbraw/zinc/59/82/05/1362598205.db2.gz UNAVLBYIHGPJLR-DHXZDTOLSA-N 1 2 348.874 3.273 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)c1cccc(OC)c1)C2 ZINC001096616273 1362598207 /nfs/dbraw/zinc/59/82/07/1362598207.db2.gz UNAVLBYIHGPJLR-DHXZDTOLSA-N 1 2 348.874 3.273 20 30 EGEDLO Cc1cc(N[C@H](CNC(=O)C#CC(C)(C)C)C2CC2)nc(C(C)C)[nH+]1 ZINC001096654546 1362618313 /nfs/dbraw/zinc/61/83/13/1362618313.db2.gz QEEGYHVJBQKMDJ-MRXNPFEDSA-N 1 2 342.487 3.265 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C2CC2)C1 ZINC001096811505 1362729715 /nfs/dbraw/zinc/72/97/15/1362729715.db2.gz PMPZBGNNGHAXRY-INIZCTEOSA-N 1 2 340.471 3.325 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](CN(C)c2cc[nH+]c(C)n2)C1 ZINC001096875097 1362762812 /nfs/dbraw/zinc/76/28/12/1362762812.db2.gz GPFHBYYSENWNGO-WBVHZDCISA-N 1 2 330.476 3.062 20 30 EGEDLO C=CC[C@H](C(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001097036892 1362818641 /nfs/dbraw/zinc/81/86/41/1362818641.db2.gz GRPZWXOIRSLIOH-BZSNNMDCSA-N 1 2 336.439 3.204 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[C@H]1CCCCO1)C2 ZINC001097087715 1362837630 /nfs/dbraw/zinc/83/76/30/1362837630.db2.gz WWXBPZNBCMBTNU-LVQVYYBASA-N 1 2 340.895 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[C@H]1CCCCO1)C2 ZINC001097087715 1362837632 /nfs/dbraw/zinc/83/76/32/1362837632.db2.gz WWXBPZNBCMBTNU-LVQVYYBASA-N 1 2 340.895 3.056 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001097094259 1362840320 /nfs/dbraw/zinc/84/03/20/1362840320.db2.gz MGKQMRYBVCSQGS-XRGAULLZSA-N 1 2 342.487 3.181 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097094959 1362840897 /nfs/dbraw/zinc/84/08/97/1362840897.db2.gz USQBMZJAMMMRAP-YOENINGUSA-N 1 2 328.460 3.180 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097098136 1362842063 /nfs/dbraw/zinc/84/20/63/1362842063.db2.gz HICNWBFSPLYVLE-DOXZYTNZSA-N 1 2 328.460 3.324 20 30 EGEDLO C#CCCCC(=O)N1CCC[C@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001097366742 1362953956 /nfs/dbraw/zinc/95/39/56/1362953956.db2.gz VYYUMGDSKHXZNC-QGZVFWFLSA-N 1 2 342.487 3.362 20 30 EGEDLO CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C#N)ccc2F)CCC1 ZINC001097653087 1363090378 /nfs/dbraw/zinc/09/03/78/1363090378.db2.gz CJNALJCCHJSFBF-NXHRZFHOSA-N 1 2 341.430 3.109 20 30 EGEDLO CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C#N)ccc2F)CCC1 ZINC001097653087 1363090382 /nfs/dbraw/zinc/09/03/82/1363090382.db2.gz CJNALJCCHJSFBF-NXHRZFHOSA-N 1 2 341.430 3.109 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)C1 ZINC001097806177 1363126012 /nfs/dbraw/zinc/12/60/12/1363126012.db2.gz YRHXHQSIGOKVIR-QRVBRYPASA-N 1 2 335.451 3.136 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)C1 ZINC001097806177 1363126014 /nfs/dbraw/zinc/12/60/14/1363126014.db2.gz YRHXHQSIGOKVIR-QRVBRYPASA-N 1 2 335.451 3.136 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001098068915 1363213753 /nfs/dbraw/zinc/21/37/53/1363213753.db2.gz BNPWWANLIOUQQM-CQSZACIVSA-N 1 2 328.460 3.347 20 30 EGEDLO C=CCCC1(C(=O)NC[C@H](C)Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001098244583 1363267949 /nfs/dbraw/zinc/26/79/49/1363267949.db2.gz SIXLYBAOYAKXAG-AWEZNQCLSA-N 1 2 342.487 3.327 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001098523964 1363353349 /nfs/dbraw/zinc/35/33/49/1363353349.db2.gz MYJLMSVBCQKNIM-KRWDZBQOSA-N 1 2 342.487 3.362 20 30 EGEDLO C=C(Br)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C=C(C)C ZINC001098888576 1363506547 /nfs/dbraw/zinc/50/65/47/1363506547.db2.gz NYAJWCFADACHMB-AWEZNQCLSA-N 1 2 343.309 3.468 20 30 EGEDLO C=C(Br)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C=C(C)C ZINC001098888576 1363506548 /nfs/dbraw/zinc/50/65/48/1363506548.db2.gz NYAJWCFADACHMB-AWEZNQCLSA-N 1 2 343.309 3.468 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)OCC(C)C ZINC001098943983 1363532455 /nfs/dbraw/zinc/53/24/55/1363532455.db2.gz GRXKKVIPMAHGQG-JKSUJKDBSA-N 1 2 344.927 3.407 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)OCC(C)C ZINC001098943983 1363532451 /nfs/dbraw/zinc/53/24/51/1363532451.db2.gz GRXKKVIPMAHGQG-JKSUJKDBSA-N 1 2 344.927 3.407 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)OCC ZINC001098949210 1363535988 /nfs/dbraw/zinc/53/59/88/1363535988.db2.gz PWIHZJDLPHMYKG-HUUCEWRRSA-N 1 2 330.900 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)OCC ZINC001098949210 1363535996 /nfs/dbraw/zinc/53/59/96/1363535996.db2.gz PWIHZJDLPHMYKG-HUUCEWRRSA-N 1 2 330.900 3.161 20 30 EGEDLO C#CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ncc(CC)o1 ZINC001099049464 1363594119 /nfs/dbraw/zinc/59/41/19/1363594119.db2.gz UHNIYFXDOGLBMT-INIZCTEOSA-N 1 2 345.487 3.147 20 30 EGEDLO C#CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ncc(CC)o1 ZINC001099049464 1363594121 /nfs/dbraw/zinc/59/41/21/1363594121.db2.gz UHNIYFXDOGLBMT-INIZCTEOSA-N 1 2 345.487 3.147 20 30 EGEDLO C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC001099084903 1363614856 /nfs/dbraw/zinc/61/48/56/1363614856.db2.gz HKYRSKMZTIOMKE-CHWSQXEVSA-N 1 2 338.389 3.460 20 30 EGEDLO C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC001099084903 1363614845 /nfs/dbraw/zinc/61/48/45/1363614845.db2.gz HKYRSKMZTIOMKE-CHWSQXEVSA-N 1 2 338.389 3.460 20 30 EGEDLO C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC001099084903 1363614849 /nfs/dbraw/zinc/61/48/49/1363614849.db2.gz HKYRSKMZTIOMKE-CHWSQXEVSA-N 1 2 338.389 3.460 20 30 EGEDLO C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC001099084903 1363614853 /nfs/dbraw/zinc/61/48/53/1363614853.db2.gz HKYRSKMZTIOMKE-CHWSQXEVSA-N 1 2 338.389 3.460 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nccn1CC ZINC001099097662 1363620063 /nfs/dbraw/zinc/62/00/63/1363620063.db2.gz CBRFWXQCUWTHRM-KRWDZBQOSA-N 1 2 346.519 3.366 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nccn1CC ZINC001099097662 1363620065 /nfs/dbraw/zinc/62/00/65/1363620065.db2.gz CBRFWXQCUWTHRM-KRWDZBQOSA-N 1 2 346.519 3.366 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nccc(C)n1 ZINC001099097821 1363620236 /nfs/dbraw/zinc/62/02/36/1363620236.db2.gz DTEPLDHVUGVGEK-QGZVFWFLSA-N 1 2 344.503 3.248 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nccc(C)n1 ZINC001099097821 1363620242 /nfs/dbraw/zinc/62/02/42/1363620242.db2.gz DTEPLDHVUGVGEK-QGZVFWFLSA-N 1 2 344.503 3.248 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1cnns1 ZINC001099098224 1363620332 /nfs/dbraw/zinc/62/03/32/1363620332.db2.gz MHVJWZDBZRLDGI-AWEZNQCLSA-N 1 2 336.505 3.001 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1cnns1 ZINC001099098224 1363620335 /nfs/dbraw/zinc/62/03/35/1363620335.db2.gz MHVJWZDBZRLDGI-AWEZNQCLSA-N 1 2 336.505 3.001 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccn(CC)n1 ZINC001099170619 1363668265 /nfs/dbraw/zinc/66/82/65/1363668265.db2.gz JHUQAYZMVPPJMZ-QGZVFWFLSA-N 1 2 346.519 3.222 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccn(CC)n1 ZINC001099170619 1363668269 /nfs/dbraw/zinc/66/82/69/1363668269.db2.gz JHUQAYZMVPPJMZ-QGZVFWFLSA-N 1 2 346.519 3.222 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ccon1 ZINC001099189039 1363681724 /nfs/dbraw/zinc/68/17/24/1363681724.db2.gz NVEVEFZUPLFGTH-WBVHZDCISA-N 1 2 333.476 3.384 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ccon1 ZINC001099189039 1363681727 /nfs/dbraw/zinc/68/17/27/1363681727.db2.gz NVEVEFZUPLFGTH-WBVHZDCISA-N 1 2 333.476 3.384 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nonc1C ZINC001099188980 1363682029 /nfs/dbraw/zinc/68/20/29/1363682029.db2.gz LXUOTTWHSRHJOC-HOCLYGCPSA-N 1 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ZINC001100901193 1364322640 /nfs/dbraw/zinc/32/26/40/1364322640.db2.gz UBXUSDJEMBRPSU-OXQOHEQNSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001101038569 1364384967 /nfs/dbraw/zinc/38/49/67/1364384967.db2.gz ONAZSQKZDPJOOY-HZPDHXFCSA-N 1 2 342.487 3.207 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001101045826 1364389468 /nfs/dbraw/zinc/38/94/68/1364389468.db2.gz VKIOEHNGDHEKLG-MRXNPFEDSA-N 1 2 330.476 3.207 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCN(CCC)c1nc(C)[nH+]c(C)c1C ZINC001101222150 1364471175 /nfs/dbraw/zinc/47/11/75/1364471175.db2.gz AAFHFLIAWCMRPF-QGZVFWFLSA-N 1 2 332.492 3.337 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)CC(C)(C)C)c1nccn12 ZINC001101652996 1364674972 /nfs/dbraw/zinc/67/49/72/1364674972.db2.gz XSUMXILSXDGQAH-OAHLLOKOSA-N 1 2 344.503 3.103 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1C[N@@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001102011863 1364811186 /nfs/dbraw/zinc/81/11/86/1364811186.db2.gz UPPCKEKRXYOWOS-CHWSQXEVSA-N 1 2 341.908 3.337 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1C[N@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001102011863 1364811189 /nfs/dbraw/zinc/81/11/89/1364811189.db2.gz UPPCKEKRXYOWOS-CHWSQXEVSA-N 1 2 341.908 3.337 20 30 EGEDLO C=C1CCC(C(=O)N(CCC)[C@H]2CCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001102260344 1364973401 /nfs/dbraw/zinc/97/34/01/1364973401.db2.gz OTLRBAKHEUMLPX-SFHVURJKSA-N 1 2 342.487 3.349 20 30 EGEDLO C=CCC1(C(=O)NCC[C@H]2CCN(c3cc[nH+]c(C)n3)C2)CCCC1 ZINC001102341193 1365010992 /nfs/dbraw/zinc/01/09/92/1365010992.db2.gz VDRQSQBSUIEHKQ-KRWDZBQOSA-N 1 2 342.487 3.254 20 30 EGEDLO C=CCC(C)(C)C(=O)NCC[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102398202 1365039020 /nfs/dbraw/zinc/03/90/20/1365039020.db2.gz LPTMIWLLIHUQTD-KRWDZBQOSA-N 1 2 344.503 3.337 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CCCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001102865304 1365259473 /nfs/dbraw/zinc/25/94/73/1365259473.db2.gz KOFQPMCIYMWDJH-KRWDZBQOSA-N 1 2 342.487 3.187 20 30 EGEDLO 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/nfs/dbraw/zinc/51/89/47/1366518947.db2.gz JOAXNUOZYYKCPH-KBPBESRZSA-N 1 2 348.384 3.051 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC(OC2C[NH+](CC=C(C)C)C2)CC1 ZINC001105709240 1366580903 /nfs/dbraw/zinc/58/09/03/1366580903.db2.gz BKGXIOXKPAJHII-UHFFFAOYSA-N 1 2 346.515 3.413 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CCCC[C@H](C)CC)CC2)C1 ZINC001105709589 1366581818 /nfs/dbraw/zinc/58/18/18/1366581818.db2.gz PRAIFLDQKRMONO-QGZVFWFLSA-N 1 2 336.520 3.471 20 30 EGEDLO C=CC(C)(C)C(=O)N(CC)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001106906966 1366829795 /nfs/dbraw/zinc/82/97/95/1366829795.db2.gz NVTATMHTSPELDL-UHFFFAOYSA-N 1 2 330.476 3.136 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]([N@H+](C)Cc2nc(C(C)(C)C)cs2)C1 ZINC001189317788 1366987052 /nfs/dbraw/zinc/98/70/52/1366987052.db2.gz DVZGRJIWSRZXMU-CQSZACIVSA-N 1 2 335.517 3.440 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(C(C)(C)C)cs2)C1 ZINC001189317788 1366987056 /nfs/dbraw/zinc/98/70/56/1366987056.db2.gz DVZGRJIWSRZXMU-CQSZACIVSA-N 1 2 335.517 3.440 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H](C)CN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001109203775 1367000432 /nfs/dbraw/zinc/00/04/32/1367000432.db2.gz VUDXTLUCNGJCKB-GDBMZVCRSA-N 1 2 344.503 3.207 20 30 EGEDLO CC[C@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109207021 1367002688 /nfs/dbraw/zinc/00/26/88/1367002688.db2.gz XBUDNDJOYUEXHR-BIGGFVEDSA-N 1 2 343.446 3.355 20 30 EGEDLO CC[C@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109207021 1367002693 /nfs/dbraw/zinc/00/26/93/1367002693.db2.gz XBUDNDJOYUEXHR-BIGGFVEDSA-N 1 2 343.446 3.355 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H](C)CN(C)c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001109220197 1367010859 /nfs/dbraw/zinc/01/08/59/1367010859.db2.gz UIHRUMLESWXSRU-HNNXBMFYSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CCOCC)CCC1)C2 ZINC001109295998 1367044115 /nfs/dbraw/zinc/04/41/15/1367044115.db2.gz DUPYZSWKQACKEJ-PMPSAXMXSA-N 1 2 340.895 3.057 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CCOCC)CCC1)C2 ZINC001109295998 1367044122 /nfs/dbraw/zinc/04/41/22/1367044122.db2.gz DUPYZSWKQACKEJ-PMPSAXMXSA-N 1 2 340.895 3.057 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)CC(CC)CC)[C@@H]2C1 ZINC001189552367 1367052218 /nfs/dbraw/zinc/05/22/18/1367052218.db2.gz SVLTUOSAKBYRKJ-LSDHHAIUSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)CC(CC)CC)[C@@H]2C1 ZINC001189552367 1367052221 /nfs/dbraw/zinc/05/22/21/1367052221.db2.gz SVLTUOSAKBYRKJ-LSDHHAIUSA-N 1 2 343.309 3.254 20 30 EGEDLO C=CCO[C@@H](C)C(=O)N[C@H](C)CNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001107805304 1367154255 /nfs/dbraw/zinc/15/42/55/1367154255.db2.gz VVJUPUFBHKNKBB-CABCVRRESA-N 1 2 348.491 3.231 20 30 EGEDLO CC(C)(C#N)c1ccc(NC(=O)c2ccccc2-n2cc[nH+]c2)cn1 ZINC001190075321 1367166337 /nfs/dbraw/zinc/16/63/37/1367166337.db2.gz PFIJAWPXWWLDGZ-UHFFFAOYSA-N 1 2 331.379 3.321 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)cs1 ZINC001109591162 1367215965 /nfs/dbraw/zinc/21/59/65/1367215965.db2.gz TXMSQVGHERGZOM-ILXRZTDVSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001109591162 1367215970 /nfs/dbraw/zinc/21/59/70/1367215970.db2.gz TXMSQVGHERGZOM-ILXRZTDVSA-N 1 2 333.501 3.275 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@]1(C)C[N@H+](Cc2cc(F)ccc2C)CCO1 ZINC001108118990 1367291606 /nfs/dbraw/zinc/29/16/06/1367291606.db2.gz HDXVAYALGIGUIE-HXUWFJFHSA-N 1 2 348.462 3.053 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@]1(C)C[N@@H+](Cc2cc(F)ccc2C)CCO1 ZINC001108118990 1367291607 /nfs/dbraw/zinc/29/16/07/1367291607.db2.gz HDXVAYALGIGUIE-HXUWFJFHSA-N 1 2 348.462 3.053 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)C[N@H+]([C@@H](C)c2ccccc2F)CCO1 ZINC001108121894 1367292548 /nfs/dbraw/zinc/29/25/48/1367292548.db2.gz IKTUJIOTADLPOX-YWZLYKJASA-N 1 2 348.462 3.306 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)C[N@@H+]([C@@H](C)c2ccccc2F)CCO1 ZINC001108121894 1367292549 /nfs/dbraw/zinc/29/25/49/1367292549.db2.gz IKTUJIOTADLPOX-YWZLYKJASA-N 1 2 348.462 3.306 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@]1(C)C[N@H+](Cc2ccsc2)CCO1 ZINC001108151068 1367311385 /nfs/dbraw/zinc/31/13/85/1367311385.db2.gz LUQZAMSDRHLLHR-YJBOKZPZSA-N 1 2 336.501 3.058 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@]1(C)C[N@@H+](Cc2ccsc2)CCO1 ZINC001108151068 1367311388 /nfs/dbraw/zinc/31/13/88/1367311388.db2.gz LUQZAMSDRHLLHR-YJBOKZPZSA-N 1 2 336.501 3.058 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C2CC2)no1 ZINC001109771122 1367314195 /nfs/dbraw/zinc/31/41/95/1367314195.db2.gz ODRWMLRNNROFLK-JLSDUUJJSA-N 1 2 343.471 3.376 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C2CC2)no1 ZINC001109771122 1367314200 /nfs/dbraw/zinc/31/42/00/1367314200.db2.gz ODRWMLRNNROFLK-JLSDUUJJSA-N 1 2 343.471 3.376 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)CC2CCCCC2)C1 ZINC001108255662 1367365132 /nfs/dbraw/zinc/36/51/32/1367365132.db2.gz IZIXPVPNQSEYEU-UYAOXDASSA-N 1 2 336.520 3.376 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)CC2CCCCC2)C1 ZINC001108255662 1367365136 /nfs/dbraw/zinc/36/51/36/1367365136.db2.gz IZIXPVPNQSEYEU-UYAOXDASSA-N 1 2 336.520 3.376 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H](CNc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001109948052 1367419309 /nfs/dbraw/zinc/41/93/09/1367419309.db2.gz YXYWFJFTQYZRJM-HNNXBMFYSA-N 1 2 330.476 3.427 20 30 EGEDLO C=CCC[C@@H](C(=O)NC[C@]1(C)C[N@H+](CC=C)CCO1)c1ccccc1 ZINC001108444926 1367460452 /nfs/dbraw/zinc/46/04/52/1367460452.db2.gz NLDYJNPMAQMESY-TZIWHRDSSA-N 1 2 342.483 3.130 20 30 EGEDLO C=CCC[C@@H](C(=O)NC[C@]1(C)C[N@@H+](CC=C)CCO1)c1ccccc1 ZINC001108444926 1367460453 /nfs/dbraw/zinc/46/04/53/1367460453.db2.gz NLDYJNPMAQMESY-TZIWHRDSSA-N 1 2 342.483 3.130 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@H](CC)C1 ZINC001110035329 1367473748 /nfs/dbraw/zinc/47/37/48/1367473748.db2.gz FEYUPMDJQRYQFT-CVEARBPZSA-N 1 2 330.476 3.426 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001108546914 1367485929 /nfs/dbraw/zinc/48/59/29/1367485929.db2.gz LGXSXDMPPZCWCD-AWEZNQCLSA-N 1 2 342.487 3.349 20 30 EGEDLO C=CCC1(C(=O)N[C@@H](C)CNc2nc(C)[nH+]c3c2CCCC3)CCC1 ZINC001108672337 1367524978 /nfs/dbraw/zinc/52/49/78/1367524978.db2.gz VCVDQHDQBDDAQF-AWEZNQCLSA-N 1 2 342.487 3.327 20 30 EGEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=C)Cl)CCCCC1 ZINC001110177060 1367546443 /nfs/dbraw/zinc/54/64/43/1367546443.db2.gz FYFQZZGXKYFCND-IKGGRYGDSA-N 1 2 334.891 3.434 20 30 EGEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=C)Cl)CCCCC1 ZINC001110177060 1367546447 /nfs/dbraw/zinc/54/64/47/1367546447.db2.gz FYFQZZGXKYFCND-IKGGRYGDSA-N 1 2 334.891 3.434 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]([N@H+](C)Cc2csc(C)n2)C1 ZINC001191764474 1367579878 /nfs/dbraw/zinc/57/98/78/1367579878.db2.gz UHLYHNRLTRGWPQ-KRWDZBQOSA-N 1 2 333.501 3.068 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2csc(C)n2)C1 ZINC001191764474 1367579884 /nfs/dbraw/zinc/57/98/84/1367579884.db2.gz UHLYHNRLTRGWPQ-KRWDZBQOSA-N 1 2 333.501 3.068 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H]([N@H+](C)CC=C(Cl)Cl)C1 ZINC001191763015 1367580462 /nfs/dbraw/zinc/58/04/62/1367580462.db2.gz HVSMBWNLHYDDIG-CQSZACIVSA-N 1 2 331.287 3.422 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H]([N@@H+](C)CC=C(Cl)Cl)C1 ZINC001191763015 1367580468 /nfs/dbraw/zinc/58/04/68/1367580468.db2.gz HVSMBWNLHYDDIG-CQSZACIVSA-N 1 2 331.287 3.422 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2nc(C)sc2C)C1 ZINC001191868716 1367622142 /nfs/dbraw/zinc/62/21/42/1367622142.db2.gz YOUVYYWVHMBOOF-CZUORRHYSA-N 1 2 335.517 3.395 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(C)sc2C)C1 ZINC001191868716 1367622146 /nfs/dbraw/zinc/62/21/46/1367622146.db2.gz YOUVYYWVHMBOOF-CZUORRHYSA-N 1 2 335.517 3.395 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001191868763 1367622420 /nfs/dbraw/zinc/62/24/20/1367622420.db2.gz ZICNMIVNHACRBT-ZBFHGGJFSA-N 1 2 331.460 3.187 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001191868763 1367622423 /nfs/dbraw/zinc/62/24/23/1367622423.db2.gz ZICNMIVNHACRBT-ZBFHGGJFSA-N 1 2 331.460 3.187 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001191890686 1367627899 /nfs/dbraw/zinc/62/78/99/1367627899.db2.gz TWTJMDXSCUDUAG-RHSMWYFYSA-N 1 2 331.460 3.187 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001191890686 1367627901 /nfs/dbraw/zinc/62/79/01/1367627901.db2.gz TWTJMDXSCUDUAG-RHSMWYFYSA-N 1 2 331.460 3.187 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2csc(CC)n2)C1 ZINC001191911403 1367634522 /nfs/dbraw/zinc/63/45/22/1367634522.db2.gz FPNUNVBGSLMDCY-ZBFHGGJFSA-N 1 2 335.517 3.341 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2csc(CC)n2)C1 ZINC001191911403 1367634527 /nfs/dbraw/zinc/63/45/27/1367634527.db2.gz FPNUNVBGSLMDCY-ZBFHGGJFSA-N 1 2 335.517 3.341 20 30 EGEDLO CCC[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110405793 1367695996 /nfs/dbraw/zinc/69/59/96/1367695996.db2.gz NBZNXFFTYZAAJX-AZFSHXRASA-N 1 2 343.446 3.355 20 30 EGEDLO CCC[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110405793 1367696002 /nfs/dbraw/zinc/69/60/02/1367696002.db2.gz NBZNXFFTYZAAJX-AZFSHXRASA-N 1 2 343.446 3.355 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@H]([N@@H+](C)[C@@H](C)c3ncc(C)o3)C2)CC1 ZINC001192205381 1367717472 /nfs/dbraw/zinc/71/74/72/1367717472.db2.gz FIVVWSSTHXTHPS-HOTGVXAUSA-N 1 2 331.460 3.323 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@H]([N@H+](C)[C@@H](C)c3ncc(C)o3)C2)CC1 ZINC001192205381 1367717474 /nfs/dbraw/zinc/71/74/74/1367717474.db2.gz FIVVWSSTHXTHPS-HOTGVXAUSA-N 1 2 331.460 3.323 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3ncc(C)s3)C2)CCC1 ZINC001192218887 1367721678 /nfs/dbraw/zinc/72/16/78/1367721678.db2.gz XUXIIBGNTPWGMC-HNNXBMFYSA-N 1 2 333.501 3.231 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3ncc(C)s3)C2)CCC1 ZINC001192218887 1367721683 /nfs/dbraw/zinc/72/16/83/1367721683.db2.gz XUXIIBGNTPWGMC-HNNXBMFYSA-N 1 2 333.501 3.231 20 30 EGEDLO C=CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cc(CC)[nH+]c(C)n1 ZINC001110451767 1367736570 /nfs/dbraw/zinc/73/65/70/1367736570.db2.gz UMSPXEQQLWHXGN-HDICACEKSA-N 1 2 342.487 3.273 20 30 EGEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(O)ccc1Cl ZINC001109055270 1367741184 /nfs/dbraw/zinc/74/11/84/1367741184.db2.gz WHBACUGLEKDEKW-COXVUDFISA-N 1 2 334.847 3.233 20 30 EGEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(O)ccc1Cl ZINC001109055270 1367741190 /nfs/dbraw/zinc/74/11/90/1367741190.db2.gz WHBACUGLEKDEKW-COXVUDFISA-N 1 2 334.847 3.233 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC001192303390 1367743500 /nfs/dbraw/zinc/74/35/00/1367743500.db2.gz MXAIWWQUGOSOOO-UHFFFAOYSA-N 1 2 345.777 3.277 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C[C@H]1C ZINC001110525164 1367805692 /nfs/dbraw/zinc/80/56/92/1367805692.db2.gz JUEIWKCRRHMFLE-NVXWUHKLSA-N 1 2 328.460 3.160 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccns1 ZINC001110595132 1367854819 /nfs/dbraw/zinc/85/48/19/1367854819.db2.gz BBNNJYRRATZEAN-OIISXLGYSA-N 1 2 331.485 3.133 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccns1 ZINC001110595132 1367854824 /nfs/dbraw/zinc/85/48/24/1367854824.db2.gz BBNNJYRRATZEAN-OIISXLGYSA-N 1 2 331.485 3.133 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(Cc3ccccc3)CC1)C2 ZINC001110676465 1367918582 /nfs/dbraw/zinc/91/85/82/1367918582.db2.gz ALPDLZFQVYBDRQ-KURKYZTESA-N 1 2 344.886 3.483 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(Cc3ccccc3)CC1)C2 ZINC001110676465 1367918585 /nfs/dbraw/zinc/91/85/85/1367918585.db2.gz ALPDLZFQVYBDRQ-KURKYZTESA-N 1 2 344.886 3.483 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cc(CC)[nH+]c(C)n1 ZINC001110696363 1367934183 /nfs/dbraw/zinc/93/41/83/1367934183.db2.gz NVFAGJFQJKYZDZ-MSOLQXFVSA-N 1 2 342.487 3.273 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110932988 1368102971 /nfs/dbraw/zinc/10/29/71/1368102971.db2.gz DTFLLDGIGUXBRR-OBZTUIKSSA-N 1 2 337.467 3.382 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110932988 1368102976 /nfs/dbraw/zinc/10/29/76/1368102976.db2.gz DTFLLDGIGUXBRR-OBZTUIKSSA-N 1 2 337.467 3.382 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001110933386 1368103330 /nfs/dbraw/zinc/10/33/30/1368103330.db2.gz LEFAXOIABPNMKZ-LIRZEXBASA-N 1 2 331.435 3.045 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1 ZINC001110933386 1368103332 /nfs/dbraw/zinc/10/33/32/1368103332.db2.gz LEFAXOIABPNMKZ-LIRZEXBASA-N 1 2 331.435 3.045 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001110933423 1368103367 /nfs/dbraw/zinc/10/33/67/1368103367.db2.gz LUCBPHRGVXNPPJ-KONPQCLYSA-N 1 2 331.460 3.115 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001110933423 1368103369 /nfs/dbraw/zinc/10/33/69/1368103369.db2.gz LUCBPHRGVXNPPJ-KONPQCLYSA-N 1 2 331.460 3.115 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC001110954381 1368121166 /nfs/dbraw/zinc/12/11/66/1368121166.db2.gz VATHCIMYVXIHQZ-KXBFYZLASA-N 1 2 330.476 3.110 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC001110957378 1368123170 /nfs/dbraw/zinc/12/31/70/1368123170.db2.gz PFLQXTUTZAGBGT-MOPGFXCFSA-N 1 2 330.476 3.110 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001110984444 1368132976 /nfs/dbraw/zinc/13/29/76/1368132976.db2.gz HPSINNXIOWWYOS-RRIFGTCXSA-N 1 2 331.460 3.115 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001110984444 1368132979 /nfs/dbraw/zinc/13/29/79/1368132979.db2.gz HPSINNXIOWWYOS-RRIFGTCXSA-N 1 2 331.460 3.115 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1CC[C@H](CNc2cc[nH+]c(C)n2)CC1 ZINC001111276789 1368243524 /nfs/dbraw/zinc/24/35/24/1368243524.db2.gz MAIUNWWDSIFVHS-QAQDUYKDSA-N 1 2 330.476 3.476 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H]2[C@H]1CCN2c1cc(C)[nH+]c(C2CC2)n1 ZINC001111382528 1368278770 /nfs/dbraw/zinc/27/87/70/1368278770.db2.gz VDRFCPQLDZWYKI-DLBZAZTESA-N 1 2 340.471 3.198 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](OCC)c1ccccc1)C2 ZINC001111496030 1368321607 /nfs/dbraw/zinc/32/16/07/1368321607.db2.gz KFXFBASJSYJVAH-ZJPYXAASSA-N 1 2 348.874 3.238 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](OCC)c1ccccc1)C2 ZINC001111496030 1368321613 /nfs/dbraw/zinc/32/16/13/1368321613.db2.gz KFXFBASJSYJVAH-ZJPYXAASSA-N 1 2 348.874 3.238 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(F)(F)C(F)(F)F)C2 ZINC001111521508 1368324604 /nfs/dbraw/zinc/32/46/04/1368324604.db2.gz ZYOWTPPBGVORIM-BBBLOLIVSA-N 1 2 346.727 3.048 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(F)(F)C(F)(F)F)C2 ZINC001111521508 1368324608 /nfs/dbraw/zinc/32/46/08/1368324608.db2.gz ZYOWTPPBGVORIM-BBBLOLIVSA-N 1 2 346.727 3.048 20 30 EGEDLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccc(C#CBr)cc1 ZINC001194797703 1368327082 /nfs/dbraw/zinc/32/70/82/1368327082.db2.gz SJCYRHRZHGOMCJ-UHFFFAOYSA-N 1 2 340.180 3.291 20 30 EGEDLO Cn1c[nH+]cc1-c1cccc(C(=O)N2CCc3cc(C#N)ccc3C2)c1 ZINC001194885651 1368341113 /nfs/dbraw/zinc/34/11/13/1368341113.db2.gz GVFFOTZSCTZSTH-UHFFFAOYSA-N 1 2 342.402 3.157 20 30 EGEDLO C=CCCOc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC001195130555 1368384579 /nfs/dbraw/zinc/38/45/79/1368384579.db2.gz AXIHHQCLAREGPL-UHFFFAOYSA-N 1 2 325.412 3.384 20 30 EGEDLO C=CCCOc1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC001195130555 1368384581 /nfs/dbraw/zinc/38/45/81/1368384581.db2.gz AXIHHQCLAREGPL-UHFFFAOYSA-N 1 2 325.412 3.384 20 30 EGEDLO CC(C)(C)/C=C\C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001195356498 1368427774 /nfs/dbraw/zinc/42/77/74/1368427774.db2.gz RDRYFXOFBDDPLV-FPLPWBNLSA-N 1 2 343.446 3.334 20 30 EGEDLO CC(C)(C)/C=C\C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001195356498 1368427776 /nfs/dbraw/zinc/42/77/76/1368427776.db2.gz RDRYFXOFBDDPLV-FPLPWBNLSA-N 1 2 343.446 3.334 20 30 EGEDLO CC(C)(C)C#CC(=O)N1CCC[N@H+](Cc2sccc2Cl)CC1 ZINC001195785271 1368489798 /nfs/dbraw/zinc/48/97/98/1368489798.db2.gz IZBXJMNTDZTGKD-UHFFFAOYSA-N 1 2 338.904 3.485 20 30 EGEDLO CC(C)(C)C#CC(=O)N1CCC[N@@H+](Cc2sccc2Cl)CC1 ZINC001195785271 1368489801 /nfs/dbraw/zinc/48/98/01/1368489801.db2.gz IZBXJMNTDZTGKD-UHFFFAOYSA-N 1 2 338.904 3.485 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[N@H+](Cc2nc3ccc(F)cc3o2)CC1 ZINC001196017983 1368535956 /nfs/dbraw/zinc/53/59/56/1368535956.db2.gz FYOBNYGTXZGHLL-UHFFFAOYSA-N 1 2 345.418 3.358 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[N@@H+](Cc2nc3ccc(F)cc3o2)CC1 ZINC001196017983 1368535958 /nfs/dbraw/zinc/53/59/58/1368535958.db2.gz FYOBNYGTXZGHLL-UHFFFAOYSA-N 1 2 345.418 3.358 20 30 EGEDLO C#CCC1(C(=O)N2CCC[N@@H+](Cc3cccc(F)c3F)CC2)CCC1 ZINC001196137750 1368556148 /nfs/dbraw/zinc/55/61/48/1368556148.db2.gz GJFQHKYBRMIZBL-UHFFFAOYSA-N 1 2 346.421 3.193 20 30 EGEDLO C#CCC1(C(=O)N2CCC[N@H+](Cc3cccc(F)c3F)CC2)CCC1 ZINC001196137750 1368556151 /nfs/dbraw/zinc/55/61/51/1368556151.db2.gz GJFQHKYBRMIZBL-UHFFFAOYSA-N 1 2 346.421 3.193 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001112001569 1368606160 /nfs/dbraw/zinc/60/61/60/1368606160.db2.gz BHZNDVFLXWVXAZ-KRWDZBQOSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001112010886 1368614507 /nfs/dbraw/zinc/61/45/07/1368614507.db2.gz WASSRHXGHWCVJM-PXNSSMCTSA-N 1 2 344.503 3.479 20 30 EGEDLO CC#CCCCC(=O)N(C)CCCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001112157685 1368688785 /nfs/dbraw/zinc/68/87/85/1368688785.db2.gz XNGNTSDDLPSOPV-UHFFFAOYSA-N 1 2 344.503 3.387 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2cccc(F)c2F)CC1 ZINC001196853212 1368698763 /nfs/dbraw/zinc/69/87/63/1368698763.db2.gz HSKGDKFRSNNIQP-LSDHHAIUSA-N 1 2 336.426 3.457 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2cccc(F)c2F)CC1 ZINC001196853212 1368698767 /nfs/dbraw/zinc/69/87/67/1368698767.db2.gz HSKGDKFRSNNIQP-LSDHHAIUSA-N 1 2 336.426 3.457 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2nc(C)c(C)s2)CC1 ZINC001196852841 1368699192 /nfs/dbraw/zinc/69/91/92/1368699192.db2.gz DVXPRROLCGUIMI-KBPBESRZSA-N 1 2 335.517 3.252 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2nc(C)c(C)s2)CC1 ZINC001196852841 1368699198 /nfs/dbraw/zinc/69/91/98/1368699198.db2.gz DVXPRROLCGUIMI-KBPBESRZSA-N 1 2 335.517 3.252 20 30 EGEDLO C#CCC1(C(=O)N2C[C@H](Nc3cc[nH+]c(C)n3)[C@@H](C)C2)CCCCC1 ZINC001112319569 1368762996 /nfs/dbraw/zinc/76/29/96/1368762996.db2.gz CMSDTUASZBQUFI-RDJZCZTQSA-N 1 2 340.471 3.018 20 30 EGEDLO Cc1cc(NC2(C)CCN(C(=O)C#CC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001112349474 1368782842 /nfs/dbraw/zinc/78/28/42/1368782842.db2.gz IKFNZBMMVLPFGP-UHFFFAOYSA-N 1 2 342.487 3.361 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001112429490 1368844132 /nfs/dbraw/zinc/84/41/32/1368844132.db2.gz QHDJETDOZPAKIT-CJNGLKHVSA-N 1 2 342.487 3.206 20 30 EGEDLO CC[C@@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001197587430 1368847316 /nfs/dbraw/zinc/84/73/16/1368847316.db2.gz QVQSEGIFAWHDKQ-CVEARBPZSA-N 1 2 345.462 3.414 20 30 EGEDLO CC[C@@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001197587430 1368847320 /nfs/dbraw/zinc/84/73/20/1368847320.db2.gz QVQSEGIFAWHDKQ-CVEARBPZSA-N 1 2 345.462 3.414 20 30 EGEDLO CC(C)C[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001197605709 1368852575 /nfs/dbraw/zinc/85/25/75/1368852575.db2.gz CQVOQLANZGNEAX-MRXNPFEDSA-N 1 2 345.462 3.414 20 30 EGEDLO CC(C)C[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001197605709 1368852577 /nfs/dbraw/zinc/85/25/77/1368852577.db2.gz CQVOQLANZGNEAX-MRXNPFEDSA-N 1 2 345.462 3.414 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H](C)C1 ZINC001112476861 1368875523 /nfs/dbraw/zinc/87/55/23/1368875523.db2.gz OCKQSGXUXUOUJQ-HOCLYGCPSA-N 1 2 328.460 3.102 20 30 EGEDLO C=CC[NH+]1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC001198046588 1368949891 /nfs/dbraw/zinc/94/98/91/1368949891.db2.gz HXAZUSMARMHUNR-UHFFFAOYSA-N 1 2 329.391 3.206 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N(C)[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001112631640 1368961689 /nfs/dbraw/zinc/96/16/89/1368961689.db2.gz HNYLLHSBYPPCNB-DOTOQJQBSA-N 1 2 330.476 3.205 20 30 EGEDLO C#CCCCCC(=O)N1CC[NH+](Cc2c(C)cccc2Cl)CC1 ZINC001112774310 1368994985 /nfs/dbraw/zinc/99/49/85/1368994985.db2.gz QLIMNKDRQFKMCF-UHFFFAOYSA-N 1 2 332.875 3.486 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H](C)C1CC1)c1ccccc1OC ZINC001198648136 1369081726 /nfs/dbraw/zinc/08/17/26/1369081726.db2.gz RZTYFWYDRZBEBH-CZUORRHYSA-N 1 2 336.863 3.241 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N1CC[NH+](Cc2cc(F)ccc2C)CC1)OCC ZINC001112907091 1369084774 /nfs/dbraw/zinc/08/47/74/1369084774.db2.gz YMLBLLLJQLKHJP-LJQANCHMSA-N 1 2 348.462 3.150 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1CC)c1ccccc1OC ZINC001198908402 1369145757 /nfs/dbraw/zinc/14/57/57/1369145757.db2.gz FFMFBRFQZPMAHD-FVQBIDKESA-N 1 2 336.863 3.241 20 30 EGEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1 ZINC001113078677 1369185090 /nfs/dbraw/zinc/18/50/90/1369185090.db2.gz UVBFXYQMSHZFGP-UHFFFAOYSA-N 1 2 348.830 3.047 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC[NH+](CCOC2CCCCCC2)CC1 ZINC001113228934 1369276627 /nfs/dbraw/zinc/27/66/27/1369276627.db2.gz AAIXIZHORWSUBT-ZWKOTPCHSA-N 1 2 336.520 3.328 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC001113229767 1369277625 /nfs/dbraw/zinc/27/76/25/1369277625.db2.gz QRHSFTKMJAUMHA-CABCVRRESA-N 1 2 336.426 3.110 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC[NH+](CCOc2cc(C)cc(C)c2)CC1 ZINC001113229584 1369277676 /nfs/dbraw/zinc/27/76/76/1369277676.db2.gz MQFKJLMCDPJRQM-OALUTQOASA-N 1 2 344.499 3.285 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[NH+](CCOc2ccccc2C)CC1 ZINC001113247860 1369290673 /nfs/dbraw/zinc/29/06/73/1369290673.db2.gz JCXDHTBLELLFOI-GOSISDBHSA-N 1 2 330.472 3.120 20 30 EGEDLO CCOC(=O)c1sc(SC)c(C#N)c1Nc1ccc(N)[nH+]c1 ZINC001201273050 1369508232 /nfs/dbraw/zinc/50/82/32/1369508232.db2.gz ZVSLAZLUJMIMLE-UHFFFAOYSA-N 1 2 334.426 3.239 20 30 EGEDLO C=C[C@H](CC(=O)N1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC001113667029 1369553733 /nfs/dbraw/zinc/55/37/33/1369553733.db2.gz LDSFEXGUDJQJBH-OAHLLOKOSA-N 1 2 340.389 3.443 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H](C)N(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001113895714 1369650170 /nfs/dbraw/zinc/65/01/70/1369650170.db2.gz JRZSSSRWFZOADG-CQSZACIVSA-N 1 2 344.503 3.207 20 30 EGEDLO CCC[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001114080943 1369722890 /nfs/dbraw/zinc/72/28/90/1369722890.db2.gz VNMOGOSSBRMDPW-ITQYTPKQSA-N 1 2 344.886 3.174 20 30 EGEDLO CCC[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001114080943 1369722894 /nfs/dbraw/zinc/72/28/94/1369722894.db2.gz VNMOGOSSBRMDPW-ITQYTPKQSA-N 1 2 344.886 3.174 20 30 EGEDLO CCCC[C@H](CNc1cc(C)[nH+]c(C(C)C)n1)NC(=O)C#CC1CC1 ZINC001114254255 1369830584 /nfs/dbraw/zinc/83/05/84/1369830584.db2.gz DXZLNQINOZLPRV-QGZVFWFLSA-N 1 2 342.487 3.409 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001114481557 1369969190 /nfs/dbraw/zinc/96/91/90/1369969190.db2.gz NJRARIGQJQOXPW-OXQOHEQNSA-N 1 2 344.503 3.335 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001114760014 1370065171 /nfs/dbraw/zinc/06/51/71/1370065171.db2.gz SEEMKVCSVSEWJJ-BSXFFOKHSA-N 1 2 345.487 3.436 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001114760014 1370065173 /nfs/dbraw/zinc/06/51/73/1370065173.db2.gz SEEMKVCSVSEWJJ-BSXFFOKHSA-N 1 2 345.487 3.436 20 30 EGEDLO CC/C=C(/C)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187093489 1388049257 /nfs/dbraw/zinc/04/92/57/1388049257.db2.gz UDLGTEGIWRWHTH-YRLIMYHHSA-N 1 2 341.430 3.086 20 30 EGEDLO CC/C=C(/C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187093489 1388049262 /nfs/dbraw/zinc/04/92/62/1388049262.db2.gz UDLGTEGIWRWHTH-YRLIMYHHSA-N 1 2 341.430 3.086 20 30 EGEDLO Cn1cncc1C[NH+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC001204386369 1370462770 /nfs/dbraw/zinc/46/27/70/1370462770.db2.gz VUPAPYFQFPBLTQ-UHFFFAOYSA-N 1 2 341.418 3.366 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nnc(C)o2)C1 ZINC001187341263 1388096888 /nfs/dbraw/zinc/09/68/88/1388096888.db2.gz PYAQRHRBTNLTPK-GDBMZVCRSA-N 1 2 336.480 3.380 20 30 EGEDLO N[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001206238885 1371001249 /nfs/dbraw/zinc/00/12/49/1371001249.db2.gz VUJNKZFDAOVQSK-LLVKDONJSA-N 1 2 346.246 3.190 20 30 EGEDLO N[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001206238885 1371001252 /nfs/dbraw/zinc/00/12/52/1371001252.db2.gz VUJNKZFDAOVQSK-LLVKDONJSA-N 1 2 346.246 3.190 20 30 EGEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1ccc(N2CCCC2=O)cc1 ZINC001117392458 1371041791 /nfs/dbraw/zinc/04/17/91/1371041791.db2.gz RSKZVCHCTHWASL-FMIVXFBMSA-N 1 2 335.407 3.171 20 30 EGEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc(/C(C)=N/O)cc1 ZINC001206539236 1371087233 /nfs/dbraw/zinc/08/72/33/1371087233.db2.gz GPITVWVNELGTFR-RCCKNPSSSA-N 1 2 340.423 3.393 20 30 EGEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1cccc(F)c1CC#N ZINC001206539558 1371087828 /nfs/dbraw/zinc/08/78/28/1371087828.db2.gz MGKBRTXEJUIXMM-UHFFFAOYSA-N 1 2 340.398 3.400 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2cc(O)ccc2Cl)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001206951752 1371243125 /nfs/dbraw/zinc/24/31/25/1371243125.db2.gz HUPGQKBWGHUQKK-CXAGYDPISA-N 1 2 348.874 3.032 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2Cl)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001206951752 1371243126 /nfs/dbraw/zinc/24/31/26/1371243126.db2.gz HUPGQKBWGHUQKK-CXAGYDPISA-N 1 2 348.874 3.032 20 30 EGEDLO C=CCCC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2nc(CCCC)no2)C1 ZINC001207629503 1371458415 /nfs/dbraw/zinc/45/84/15/1371458415.db2.gz SHKUJUOVWCZWCQ-LSDHHAIUSA-N 1 2 334.464 3.020 20 30 EGEDLO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCn3c(COC(C)C)nnc3C2)CC1 ZINC001208175662 1371617759 /nfs/dbraw/zinc/61/77/59/1371617759.db2.gz YHKHWHDYUOCMLW-QGZVFWFLSA-N 1 2 330.476 3.321 20 30 EGEDLO C=C(C)[C@@H]1CC=C(C[N@H+]2CCn3c(COC(C)C)nnc3C2)CC1 ZINC001208175662 1371617761 /nfs/dbraw/zinc/61/77/61/1371617761.db2.gz YHKHWHDYUOCMLW-QGZVFWFLSA-N 1 2 330.476 3.321 20 30 EGEDLO C=C(C)[C@@H]1CC=C(C[N@H+]2CCn3cc(C(=O)OCC)nc3C2)CC1 ZINC001208176863 1371619024 /nfs/dbraw/zinc/61/90/24/1371619024.db2.gz JMQKBFBMSQHAQE-MRXNPFEDSA-N 1 2 329.444 3.178 20 30 EGEDLO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCn3cc(C(=O)OCC)nc3C2)CC1 ZINC001208176863 1371619028 /nfs/dbraw/zinc/61/90/28/1371619028.db2.gz JMQKBFBMSQHAQE-MRXNPFEDSA-N 1 2 329.444 3.178 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@H]([NH2+][C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC001208261888 1371688802 /nfs/dbraw/zinc/68/88/02/1371688802.db2.gz UITJPBZXFGYQSY-CABCVRRESA-N 1 2 348.491 3.365 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001208291867 1371703995 /nfs/dbraw/zinc/70/39/95/1371703995.db2.gz AGAYKMHNSQWJDV-UKRRQHHQSA-N 1 2 335.879 3.274 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001208291867 1371704004 /nfs/dbraw/zinc/70/40/04/1371704004.db2.gz AGAYKMHNSQWJDV-UKRRQHHQSA-N 1 2 335.879 3.274 20 30 EGEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+]1CCCc1ccc(C#N)cc1 ZINC001208864773 1371924504 /nfs/dbraw/zinc/92/45/04/1371924504.db2.gz SUXHKPCMUTVVSV-KRWDZBQOSA-N 1 2 329.444 3.390 20 30 EGEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+]1CCCc1ccc(C#N)cc1 ZINC001208864773 1371924505 /nfs/dbraw/zinc/92/45/05/1371924505.db2.gz SUXHKPCMUTVVSV-KRWDZBQOSA-N 1 2 329.444 3.390 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3Cl)C[C@H]21 ZINC001187811722 1388168133 /nfs/dbraw/zinc/16/81/33/1388168133.db2.gz DZOXFTCGXUMLIN-KBXCAEBGSA-N 1 2 348.849 3.171 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3Cl)C[C@H]21 ZINC001187811722 1388168137 /nfs/dbraw/zinc/16/81/37/1388168137.db2.gz DZOXFTCGXUMLIN-KBXCAEBGSA-N 1 2 348.849 3.171 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC001187814271 1388169365 /nfs/dbraw/zinc/16/93/65/1388169365.db2.gz YITUVOCXLCHCNU-MAUKXSAKSA-N 1 2 348.849 3.171 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC001187814271 1388169372 /nfs/dbraw/zinc/16/93/72/1388169372.db2.gz YITUVOCXLCHCNU-MAUKXSAKSA-N 1 2 348.849 3.171 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ncoc2C(C)C)C[C@H]1C ZINC001208953941 1371960872 /nfs/dbraw/zinc/96/08/72/1371960872.db2.gz CAMZFPUXWYOEMM-HUUCEWRRSA-N 1 2 333.476 3.337 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ncoc2C(C)C)C[C@H]1C ZINC001208953941 1371960879 /nfs/dbraw/zinc/96/08/79/1371960879.db2.gz CAMZFPUXWYOEMM-HUUCEWRRSA-N 1 2 333.476 3.337 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC001209146080 1372013876 /nfs/dbraw/zinc/01/38/76/1372013876.db2.gz KJLMCGKUPRHMHT-GJZGRUSLSA-N 1 2 348.491 3.050 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nc(C(C)C)no2)C1 ZINC001209346970 1372073246 /nfs/dbraw/zinc/07/32/46/1372073246.db2.gz XXFVTNBYHPHORR-GJZGRUSLSA-N 1 2 334.464 3.191 20 30 EGEDLO C=CC1(CC(=O)N[C@@H]2C[N@@H+](Cc3cc(C)on3)C[C@H]2C)CCCCC1 ZINC001209406845 1372096783 /nfs/dbraw/zinc/09/67/83/1372096783.db2.gz WNIJVVYQDIOSAP-CRAIPNDOSA-N 1 2 345.487 3.446 20 30 EGEDLO C=CC1(CC(=O)N[C@@H]2C[N@H+](Cc3cc(C)on3)C[C@H]2C)CCCCC1 ZINC001209406845 1372096784 /nfs/dbraw/zinc/09/67/84/1372096784.db2.gz WNIJVVYQDIOSAP-CRAIPNDOSA-N 1 2 345.487 3.446 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)CC(F)(F)F)C1 ZINC001210049703 1372262351 /nfs/dbraw/zinc/26/23/51/1372262351.db2.gz DNNPATUROQZXOK-MWLCHTKSSA-N 1 2 326.790 3.154 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)CC(F)(F)F)C1 ZINC001210049703 1372262353 /nfs/dbraw/zinc/26/23/53/1372262353.db2.gz DNNPATUROQZXOK-MWLCHTKSSA-N 1 2 326.790 3.154 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001122529329 1372267946 /nfs/dbraw/zinc/26/79/46/1372267946.db2.gz ACIAZBOEVOSUHT-HZPDHXFCSA-N 1 2 331.508 3.493 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001122529329 1372267947 /nfs/dbraw/zinc/26/79/47/1372267947.db2.gz ACIAZBOEVOSUHT-HZPDHXFCSA-N 1 2 331.508 3.493 20 30 EGEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001122536772 1372268278 /nfs/dbraw/zinc/26/82/78/1372268278.db2.gz MVTZPUQSJGJOJU-HOTGVXAUSA-N 1 2 349.548 3.170 20 30 EGEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@@H]1CC ZINC001122544674 1372271006 /nfs/dbraw/zinc/27/10/06/1372271006.db2.gz ZHPDRMCAOMPNQY-DLBZAZTESA-N 1 2 347.507 3.015 20 30 EGEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@@H]1CC ZINC001122544674 1372271007 /nfs/dbraw/zinc/27/10/07/1372271007.db2.gz ZHPDRMCAOMPNQY-DLBZAZTESA-N 1 2 347.507 3.015 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)CC(C)C)C1 ZINC001210112516 1372274402 /nfs/dbraw/zinc/27/44/02/1372274402.db2.gz WYHBYCXPYPRZBF-BPLDGKMQSA-N 1 2 345.325 3.404 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)CC(C)C)C1 ZINC001210112516 1372274405 /nfs/dbraw/zinc/27/44/05/1372274405.db2.gz WYHBYCXPYPRZBF-BPLDGKMQSA-N 1 2 345.325 3.404 20 30 EGEDLO N#C[C@H]1C[NH2+]CCN1Cc1ccc(C(F)(F)F)cc1C(F)(F)F ZINC001210121024 1372275502 /nfs/dbraw/zinc/27/55/02/1372275502.db2.gz JCQPBIBTWFIYHP-NSHDSACASA-N 1 2 337.267 3.022 20 30 EGEDLO N#C[C@H]1C[NH2+]CCN1Cc1c[nH]c2cc(OCc3ccccc3)ccc12 ZINC001210121469 1372275536 /nfs/dbraw/zinc/27/55/36/1372275536.db2.gz LVSZQJZCBLTXAG-SFHVURJKSA-N 1 2 346.434 3.044 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC(C)(C#N)CC1 ZINC001122622941 1372285493 /nfs/dbraw/zinc/28/54/93/1372285493.db2.gz LYOWVHIGRPFFMQ-MRXNPFEDSA-N 1 2 342.491 3.141 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC(C)(C#N)CC1 ZINC001122622941 1372285495 /nfs/dbraw/zinc/28/54/95/1372285495.db2.gz LYOWVHIGRPFFMQ-MRXNPFEDSA-N 1 2 342.491 3.141 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)CC(C)C)C1 ZINC001210219242 1372296929 /nfs/dbraw/zinc/29/69/29/1372296929.db2.gz MWPQTAVKMUHBHV-UMVBOHGHSA-N 1 2 345.325 3.404 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)CC(C)C)C1 ZINC001210219242 1372296944 /nfs/dbraw/zinc/29/69/44/1372296944.db2.gz MWPQTAVKMUHBHV-UMVBOHGHSA-N 1 2 345.325 3.404 20 30 EGEDLO N#Cc1cc(Nc2cc(Br)c3[nH+]ccn3c2)ccc1O ZINC001210526388 1372371749 /nfs/dbraw/zinc/37/17/49/1372371749.db2.gz DYFXZQWHZPGOAB-UHFFFAOYSA-N 1 2 329.157 3.418 20 30 EGEDLO C#CCCCC(=O)N1C[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C[C@@H]1C ZINC001123225007 1372401051 /nfs/dbraw/zinc/40/10/51/1372401051.db2.gz UVSDQNMKBFCOOB-JKSUJKDBSA-N 1 2 328.460 3.113 20 30 EGEDLO C=CCCCC(=O)N[C@]12CCC[C@@H]1N(c1cc(C)[nH+]c(CC)n1)CC2 ZINC001123460558 1372477957 /nfs/dbraw/zinc/47/79/57/1372477957.db2.gz YDSVIGNKMZGUQZ-JXFKEZNVSA-N 1 2 342.487 3.321 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001123577658 1372513720 /nfs/dbraw/zinc/51/37/20/1372513720.db2.gz PESKWIYVFPIPTM-GDBMZVCRSA-N 1 2 328.460 3.102 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2ccc(C)cc2)C1 ZINC001211395537 1372549709 /nfs/dbraw/zinc/54/97/09/1372549709.db2.gz YSWOWZDTZGYOMD-IIDMSEBBSA-N 1 2 334.891 3.363 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2ccc(C)cc2)C1 ZINC001211395537 1372549712 /nfs/dbraw/zinc/54/97/12/1372549712.db2.gz YSWOWZDTZGYOMD-IIDMSEBBSA-N 1 2 334.891 3.363 20 30 EGEDLO C=CCCC(=O)NCC[C@@H](Cc1ccccc1)Nc1cc[nH+]c(C)n1 ZINC001123694678 1372561548 /nfs/dbraw/zinc/56/15/48/1372561548.db2.gz ZGJRZDQYROTUSC-SFHVURJKSA-N 1 2 338.455 3.281 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3nc(C)no3)C[C@H]2C)CCCC1 ZINC001211495371 1372568377 /nfs/dbraw/zinc/56/83/77/1372568377.db2.gz KSPOWRWVIRBSIS-IIAWOOMASA-N 1 2 346.475 3.012 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3nc(C)no3)C[C@H]2C)CCCC1 ZINC001211495371 1372568382 /nfs/dbraw/zinc/56/83/82/1372568382.db2.gz KSPOWRWVIRBSIS-IIAWOOMASA-N 1 2 346.475 3.012 20 30 EGEDLO Cc1cc(NC[C@@H]2CC[C@@H](NC(=O)C#CC3CC3)C2)nc(C(C)C)[nH+]1 ZINC001123793082 1372590193 /nfs/dbraw/zinc/59/01/93/1372590193.db2.gz AYZGBAVOBMWZAP-IAGOWNOFSA-N 1 2 340.471 3.019 20 30 EGEDLO CCOC(=O)c1ccc2[nH+]ccc(Nc3ccccc3OCC#N)c2c1 ZINC001212598418 1372734897 /nfs/dbraw/zinc/73/48/97/1372734897.db2.gz UGSDCEPELQWBBB-UHFFFAOYSA-N 1 2 347.374 3.479 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@H]2OC)CCCCC1 ZINC001213903377 1372978608 /nfs/dbraw/zinc/97/86/08/1372978608.db2.gz SQWRVDQVUWUDIG-MOJJGNAPSA-N 1 2 340.895 3.081 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@H]2OC)CCCCC1 ZINC001213903377 1372978610 /nfs/dbraw/zinc/97/86/10/1372978610.db2.gz SQWRVDQVUWUDIG-MOJJGNAPSA-N 1 2 340.895 3.081 20 30 EGEDLO CC#CCCCC(=O)N(C)C1CC(Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001127063077 1373078941 /nfs/dbraw/zinc/07/89/41/1373078941.db2.gz OEEZQRPHLQMYGG-UHFFFAOYSA-N 1 2 340.471 3.257 20 30 EGEDLO C=CCCC(=O)NCC1=CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001127598283 1373145452 /nfs/dbraw/zinc/14/54/52/1373145452.db2.gz PNLBXXIGBUDJJR-UHFFFAOYSA-N 1 2 328.460 3.127 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001127756274 1373174772 /nfs/dbraw/zinc/17/47/72/1373174772.db2.gz HLYBGPNIZDMKLX-KGLIPLIRSA-N 1 2 342.487 3.113 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCc1cnn2c1C[N@H+](CC/C=C/CC)CC2 ZINC001128463099 1373271643 /nfs/dbraw/zinc/27/16/43/1373271643.db2.gz ANHSEVROERYNIK-DKRLNXSXSA-N 1 2 344.503 3.274 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCc1cnn2c1C[N@@H+](CC/C=C/CC)CC2 ZINC001128463099 1373271648 /nfs/dbraw/zinc/27/16/48/1373271648.db2.gz ANHSEVROERYNIK-DKRLNXSXSA-N 1 2 344.503 3.274 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C(CC)(CC)CC)c2C1 ZINC001128531138 1373285130 /nfs/dbraw/zinc/28/51/30/1373285130.db2.gz YTNSAKVVWBPTJI-UHFFFAOYSA-N 1 2 332.492 3.107 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C(CC)(CC)CC)c2C1 ZINC001128531138 1373285133 /nfs/dbraw/zinc/28/51/33/1373285133.db2.gz YTNSAKVVWBPTJI-UHFFFAOYSA-N 1 2 332.492 3.107 20 30 EGEDLO COc1ccc(C#N)c(-c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)c1 ZINC001216663975 1373328329 /nfs/dbraw/zinc/32/83/29/1373328329.db2.gz FRUFWYFCRGUQER-UHFFFAOYSA-N 1 2 343.346 3.470 20 30 EGEDLO Cc1cc(C#N)cc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC001129269659 1373366709 /nfs/dbraw/zinc/36/67/09/1373366709.db2.gz SLGSMPXCXYGCET-MRXNPFEDSA-N 1 2 328.803 3.157 20 30 EGEDLO C=CCC[C@H](C)[N@H+]1Cc2cnn(C3CCN(C(=O)CC)CC3)c2C1 ZINC001130161144 1373465775 /nfs/dbraw/zinc/46/57/75/1373465775.db2.gz OZBLTGHHXJFCMO-HNNXBMFYSA-N 1 2 330.476 3.127 20 30 EGEDLO C=CCC[C@H](C)[N@@H+]1Cc2cnn(C3CCN(C(=O)CC)CC3)c2C1 ZINC001130161144 1373465776 /nfs/dbraw/zinc/46/57/76/1373465776.db2.gz OZBLTGHHXJFCMO-HNNXBMFYSA-N 1 2 330.476 3.127 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)CCSCC)CC[C@@H]1C ZINC001131847258 1373834428 /nfs/dbraw/zinc/83/44/28/1373834428.db2.gz AJTOLCASRKMMNW-STQMWFEESA-N 1 2 349.338 3.007 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)CCSCC)CC[C@@H]1C ZINC001131847258 1373834432 /nfs/dbraw/zinc/83/44/32/1373834432.db2.gz AJTOLCASRKMMNW-STQMWFEESA-N 1 2 349.338 3.007 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2nc3ccccc3n2C)C1 ZINC001131899052 1375034262 /nfs/dbraw/zinc/03/42/62/1375034262.db2.gz HUCIQGAVHOPXOB-CVEARBPZSA-N 1 2 340.471 3.009 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2nc3ccccc3n2C)C1 ZINC001131899052 1375034268 /nfs/dbraw/zinc/03/42/68/1375034268.db2.gz HUCIQGAVHOPXOB-CVEARBPZSA-N 1 2 340.471 3.009 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC=C(Cl)Cl)C1 ZINC001131976668 1375079976 /nfs/dbraw/zinc/07/99/76/1375079976.db2.gz NNILYTYHIVXBAR-KGLIPLIRSA-N 1 2 331.287 3.468 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC=C(Cl)Cl)C1 ZINC001131976668 1375079981 /nfs/dbraw/zinc/07/99/81/1375079981.db2.gz NNILYTYHIVXBAR-KGLIPLIRSA-N 1 2 331.287 3.468 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1c(F)cccc1Cl ZINC001132033691 1375108386 /nfs/dbraw/zinc/10/83/86/1375108386.db2.gz JVPQIINWVSMFAT-HIFRSBDPSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1c(F)cccc1Cl ZINC001132033691 1375108393 /nfs/dbraw/zinc/10/83/93/1375108393.db2.gz JVPQIINWVSMFAT-HIFRSBDPSA-N 1 2 348.849 3.362 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccn(CC)n2)C1 ZINC001132056981 1375123494 /nfs/dbraw/zinc/12/34/94/1375123494.db2.gz ICESWAAWJDPCRO-AEFFLSMTSA-N 1 2 344.503 3.141 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccn(CC)n2)C1 ZINC001132056981 1375123496 /nfs/dbraw/zinc/12/34/96/1375123496.db2.gz ICESWAAWJDPCRO-AEFFLSMTSA-N 1 2 344.503 3.141 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ncc(CC)o2)C1 ZINC001132057514 1375124254 /nfs/dbraw/zinc/12/42/54/1375124254.db2.gz QFDHYRRLRFOUDQ-NVXWUHKLSA-N 1 2 345.487 3.475 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ncc(CC)o2)C1 ZINC001132057514 1375124257 /nfs/dbraw/zinc/12/42/57/1375124257.db2.gz QFDHYRRLRFOUDQ-NVXWUHKLSA-N 1 2 345.487 3.475 20 30 EGEDLO C=CCCC[N@H+]1C[C@@H](NC(=O)c2n[nH]c3ccc(C)cc32)CC[C@H]1C ZINC001132153052 1375172549 /nfs/dbraw/zinc/17/25/49/1375172549.db2.gz MTYCIZOGWONAJR-CVEARBPZSA-N 1 2 340.471 3.420 20 30 EGEDLO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2n[nH]c3ccc(C)cc32)CC[C@H]1C ZINC001132153052 1375172551 /nfs/dbraw/zinc/17/25/51/1375172551.db2.gz MTYCIZOGWONAJR-CVEARBPZSA-N 1 2 340.471 3.420 20 30 EGEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3c(Cl)c(F)cc(F)c3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226000054 1375188154 /nfs/dbraw/zinc/18/81/54/1375188154.db2.gz JXHWKZYSVWKPLG-CGTJWMLJSA-N 1 2 336.165 3.263 20 30 EGEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3c(Cl)c(F)cc(F)c3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226000054 1375188155 /nfs/dbraw/zinc/18/81/55/1375188155.db2.gz JXHWKZYSVWKPLG-CGTJWMLJSA-N 1 2 336.165 3.263 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2c(F)cccc2[N+](=O)[O-])C1 ZINC001226009659 1375190045 /nfs/dbraw/zinc/19/00/45/1375190045.db2.gz NNSBZSYYJQWTDV-HNNXBMFYSA-N 1 2 341.342 3.259 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2c(F)cccc2[N+](=O)[O-])C1 ZINC001226009659 1375190047 /nfs/dbraw/zinc/19/00/47/1375190047.db2.gz NNSBZSYYJQWTDV-HNNXBMFYSA-N 1 2 341.342 3.259 20 30 EGEDLO CCC(CC)C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001226169294 1375213863 /nfs/dbraw/zinc/21/38/63/1375213863.db2.gz FZGONWHXRPNWAC-UHFFFAOYSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001132215414 1375215315 /nfs/dbraw/zinc/21/53/15/1375215315.db2.gz XFXUECSWKXEAKJ-XJKSGUPXSA-N 1 2 333.476 3.363 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001132215414 1375215321 /nfs/dbraw/zinc/21/53/21/1375215321.db2.gz XFXUECSWKXEAKJ-XJKSGUPXSA-N 1 2 333.476 3.363 20 30 EGEDLO N#Cc1ccc(C2CC2)nc1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226262971 1375229513 /nfs/dbraw/zinc/22/95/13/1375229513.db2.gz YAEBCCJYUIULGL-LJQANCHMSA-N 1 2 349.434 3.110 20 30 EGEDLO N#Cc1ccc(C2CC2)nc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226262971 1375229517 /nfs/dbraw/zinc/22/95/17/1375229517.db2.gz YAEBCCJYUIULGL-LJQANCHMSA-N 1 2 349.434 3.110 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)C[C@H](C)CCC)CC1 ZINC001226493990 1375268738 /nfs/dbraw/zinc/26/87/38/1375268738.db2.gz OFDLMEHPQGMZSN-GFCCVEGCSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(CC(C)C)n1 ZINC001226523516 1375275103 /nfs/dbraw/zinc/27/51/03/1375275103.db2.gz YQYYMZAXXLAHJZ-HZPDHXFCSA-N 1 2 348.491 3.141 20 30 EGEDLO CCC[C@@H](C)C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001226663319 1375302598 /nfs/dbraw/zinc/30/25/98/1375302598.db2.gz DUCXVIKFOHFPHG-CQSZACIVSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C(C)(C)C(F)(F)F)CC[C@H]1C ZINC001132446483 1375391590 /nfs/dbraw/zinc/39/15/90/1375391590.db2.gz YYFKCKLZWKOOMS-GHMZBOCLSA-N 1 2 326.790 3.297 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C(C)(C)C(F)(F)F)CC[C@H]1C ZINC001132446483 1375391593 /nfs/dbraw/zinc/39/15/93/1375391593.db2.gz YYFKCKLZWKOOMS-GHMZBOCLSA-N 1 2 326.790 3.297 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(CCCC)n1 ZINC001228269302 1375538553 /nfs/dbraw/zinc/53/85/53/1375538553.db2.gz DYBWUTDEACUAST-HZPDHXFCSA-N 1 2 348.491 3.286 20 30 EGEDLO N#CCc1cccc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001132815050 1375579578 /nfs/dbraw/zinc/57/95/78/1375579578.db2.gz GLLWIUICEGMYDI-IBGZPJMESA-N 1 2 330.391 3.120 20 30 EGEDLO CC#CCCCC(=O)NC1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC001228717070 1375650550 /nfs/dbraw/zinc/65/05/50/1375650550.db2.gz DCRIBVNYFARCHT-UHFFFAOYSA-N 1 2 345.512 3.295 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001228748959 1375661925 /nfs/dbraw/zinc/66/19/25/1375661925.db2.gz OTMQKBZEIVXYSY-UONOGXRCSA-N 1 2 331.460 3.091 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccn(C(C)C)n2)CC1 ZINC001228749656 1375662539 /nfs/dbraw/zinc/66/25/39/1375662539.db2.gz UQSAOMVFDRWREQ-HOTGVXAUSA-N 1 2 332.492 3.003 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)C2(CCC)CCC2)CC1 ZINC001228760607 1375667752 /nfs/dbraw/zinc/66/77/52/1375667752.db2.gz NQHCCFLKNNIKCT-UHFFFAOYSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC1CC[NH+](Cc2ncc(C(C)C)o2)CC1 ZINC001228795526 1375678809 /nfs/dbraw/zinc/67/88/09/1375678809.db2.gz YJSZSBQPCLOFFO-HNNXBMFYSA-N 1 2 333.476 3.481 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC1CC[NH+]([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC001228794811 1375679399 /nfs/dbraw/zinc/67/93/99/1375679399.db2.gz NBVCQEDZLYTDEF-LSDHHAIUSA-N 1 2 348.491 3.437 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC1CC[NH+](Cc2ccn(C(C)C)n2)CC1 ZINC001229017455 1375740344 /nfs/dbraw/zinc/74/03/44/1375740344.db2.gz SQOPMKIXFJSTEV-LJQANCHMSA-N 1 2 332.492 3.147 20 30 EGEDLO CCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001230772280 1376148492 /nfs/dbraw/zinc/14/84/92/1376148492.db2.gz DXEXHVXWXFBYFG-KRWDZBQOSA-N 1 2 331.435 3.310 20 30 EGEDLO CCCCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001230772280 1376148494 /nfs/dbraw/zinc/14/84/94/1376148494.db2.gz DXEXHVXWXFBYFG-KRWDZBQOSA-N 1 2 331.435 3.310 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)/C=C/C(C)(C)C ZINC001231285292 1376220928 /nfs/dbraw/zinc/22/09/28/1376220928.db2.gz ZXJUNQYJTVJXHV-UGAXZCSASA-N 1 2 343.446 3.332 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)/C=C/C(C)(C)C ZINC001231285292 1376220930 /nfs/dbraw/zinc/22/09/30/1376220930.db2.gz ZXJUNQYJTVJXHV-UGAXZCSASA-N 1 2 343.446 3.332 20 30 EGEDLO Cn1c[nH+]c2c1CCN(Cc1ccccc1C#Cc1ccccc1)C2 ZINC001231578391 1376267945 /nfs/dbraw/zinc/26/79/45/1376267945.db2.gz LZUVNMCNBOGPDW-UHFFFAOYSA-N 1 2 327.431 3.378 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)c(Cl)c3)C[C@H]21 ZINC001232119455 1376403462 /nfs/dbraw/zinc/40/34/62/1376403462.db2.gz ZGDXRCFDWNOLIT-GDBMZVCRSA-N 1 2 347.846 3.263 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(C#N)c(Cl)c3)C[C@H]21 ZINC001232119455 1376403466 /nfs/dbraw/zinc/40/34/66/1376403466.db2.gz ZGDXRCFDWNOLIT-GDBMZVCRSA-N 1 2 347.846 3.263 20 30 EGEDLO CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232679789 1376500353 /nfs/dbraw/zinc/50/03/53/1376500353.db2.gz SBSUTBAUEYQFAI-ZVZYQTTQSA-N 1 2 342.439 3.206 20 30 EGEDLO CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc(C#N)ccc1O ZINC001232679789 1376500357 /nfs/dbraw/zinc/50/03/57/1376500357.db2.gz SBSUTBAUEYQFAI-ZVZYQTTQSA-N 1 2 342.439 3.206 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(C#N)cc2O)C(C)(C)C1 ZINC001233386101 1376633296 /nfs/dbraw/zinc/63/32/96/1376633296.db2.gz GMLKRBGZGHSLMO-UHFFFAOYSA-N 1 2 345.443 3.095 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(C#N)cc2O)C(C)(C)C1 ZINC001233386101 1376633300 /nfs/dbraw/zinc/63/33/00/1376633300.db2.gz GMLKRBGZGHSLMO-UHFFFAOYSA-N 1 2 345.443 3.095 20 30 EGEDLO COc1ccc(C#N)c(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001189084518 1388454278 /nfs/dbraw/zinc/45/42/78/1388454278.db2.gz QKOZUKOLCMCPHW-UHFFFAOYSA-N 1 2 332.363 3.064 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)c1ccc(F)c(F)c1 ZINC001233916234 1376736833 /nfs/dbraw/zinc/73/68/33/1376736833.db2.gz VEQTWSCEGPGWKR-GOEBONIOSA-N 1 2 334.410 3.362 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)c1ccc(F)c(F)c1 ZINC001233916234 1376736845 /nfs/dbraw/zinc/73/68/45/1376736845.db2.gz VEQTWSCEGPGWKR-GOEBONIOSA-N 1 2 334.410 3.362 20 30 EGEDLO CC/C(C)=C\C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001234132743 1376774537 /nfs/dbraw/zinc/77/45/37/1376774537.db2.gz WLWZKVZILGDEOB-CRPZLVSXSA-N 1 2 329.419 3.086 20 30 EGEDLO CC/C(C)=C\C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001234132743 1376774541 /nfs/dbraw/zinc/77/45/41/1376774541.db2.gz WLWZKVZILGDEOB-CRPZLVSXSA-N 1 2 329.419 3.086 20 30 EGEDLO CC/C(C)=C\C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001234142078 1376776913 /nfs/dbraw/zinc/77/69/13/1376776913.db2.gz SBSBVQVJMIHNRM-CRPZLVSXSA-N 1 2 329.419 3.086 20 30 EGEDLO CC/C(C)=C\C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001234142078 1376776931 /nfs/dbraw/zinc/77/69/31/1376776931.db2.gz SBSBVQVJMIHNRM-CRPZLVSXSA-N 1 2 329.419 3.086 20 30 EGEDLO C=CCCOCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1C/C=C/Cl ZINC001234275056 1376797978 /nfs/dbraw/zinc/79/79/78/1376797978.db2.gz ASRRIPGOCPNLJH-OJXHRBAXSA-N 1 2 328.884 3.035 20 30 EGEDLO C=CCCOCCCCC(=O)N(C)C[C@H]1CC[N@H+]1C/C=C/Cl ZINC001234275056 1376797986 /nfs/dbraw/zinc/79/79/86/1376797986.db2.gz ASRRIPGOCPNLJH-OJXHRBAXSA-N 1 2 328.884 3.035 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C#N)cc3Cl)C[C@H]21 ZINC001238084290 1376994410 /nfs/dbraw/zinc/99/44/10/1376994410.db2.gz GAIBQMIOTQFVDI-GOEBONIOSA-N 1 2 347.846 3.263 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3Cl)C[C@H]21 ZINC001238084290 1376994413 /nfs/dbraw/zinc/99/44/13/1376994413.db2.gz GAIBQMIOTQFVDI-GOEBONIOSA-N 1 2 347.846 3.263 20 30 EGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2c(c(Br)c1)OCO2 ZINC001136846855 1377429805 /nfs/dbraw/zinc/42/98/05/1377429805.db2.gz GFYPUVJHQRLTKE-UOJUARBOSA-N 1 2 349.228 3.444 20 30 EGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2c(c(Br)c1)OCO2 ZINC001136846855 1377429806 /nfs/dbraw/zinc/42/98/06/1377429806.db2.gz GFYPUVJHQRLTKE-UOJUARBOSA-N 1 2 349.228 3.444 20 30 EGEDLO N#CCOc1ccc(C[NH+]2CCN(C3(c4ccccc4)CC3)CC2)cc1 ZINC001137122586 1377482395 /nfs/dbraw/zinc/48/23/95/1377482395.db2.gz JFEVKDVUGSAULI-UHFFFAOYSA-N 1 2 347.462 3.396 20 30 EGEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ccc3cc(C)ccc3n2)CC1 ZINC001137217255 1377498591 /nfs/dbraw/zinc/49/85/91/1377498591.db2.gz PQFKQFBSRNCMKR-UHFFFAOYSA-N 1 2 337.423 3.212 20 30 EGEDLO COc1ccc2[nH]cc(C[NH+]3CC(Oc4ccccc4C#N)C3)c2c1 ZINC001138514245 1377735452 /nfs/dbraw/zinc/73/54/52/1377735452.db2.gz MPGDTLXGAUOZRY-UHFFFAOYSA-N 1 2 333.391 3.311 20 30 EGEDLO C=C(C)COc1ccccc1CN1CC[NH+](Cc2ccncc2)CC1 ZINC001138664364 1377765017 /nfs/dbraw/zinc/76/50/17/1377765017.db2.gz OOUGHQBWJBJFDE-UHFFFAOYSA-N 1 2 337.467 3.354 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001139649523 1377926165 /nfs/dbraw/zinc/92/61/65/1377926165.db2.gz MNIDONVNDIOZAZ-BBRMVZONSA-N 1 2 347.434 3.432 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001139649523 1377926169 /nfs/dbraw/zinc/92/61/69/1377926169.db2.gz MNIDONVNDIOZAZ-BBRMVZONSA-N 1 2 347.434 3.432 20 30 EGEDLO CC(C)(C)OC(=O)N1CCc2sc(C[N@@H+]3CC[C@H](C#N)C3)cc2C1 ZINC001139653736 1377927659 /nfs/dbraw/zinc/92/76/59/1377927659.db2.gz IEVSVABNDVZFPF-CYBMUJFWSA-N 1 2 347.484 3.387 20 30 EGEDLO CC(C)(C)OC(=O)N1CCc2sc(C[N@H+]3CC[C@H](C#N)C3)cc2C1 ZINC001139653736 1377927662 /nfs/dbraw/zinc/92/76/62/1377927662.db2.gz IEVSVABNDVZFPF-CYBMUJFWSA-N 1 2 347.484 3.387 20 30 EGEDLO N#Cc1c(Cl)cccc1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC001139686985 1377934741 /nfs/dbraw/zinc/93/47/41/1377934741.db2.gz JGNIDWBNJJUICP-CQSZACIVSA-N 1 2 332.753 3.491 20 30 EGEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC001139686985 1377934744 /nfs/dbraw/zinc/93/47/44/1377934744.db2.gz JGNIDWBNJJUICP-CQSZACIVSA-N 1 2 332.753 3.491 20 30 EGEDLO N#Cc1cccc2c(C[N@@H+]3CCN4CCc5ccccc5[C@H]4C3)c[nH]c21 ZINC001139706585 1377938129 /nfs/dbraw/zinc/93/81/29/1377938129.db2.gz ZELQMOZFNJXXMF-OAQYLSRUSA-N 1 2 342.446 3.455 20 30 EGEDLO N#Cc1cccc2c(C[N@H+]3CCN4CCc5ccccc5[C@H]4C3)c[nH]c21 ZINC001139706585 1377938130 /nfs/dbraw/zinc/93/81/30/1377938130.db2.gz ZELQMOZFNJXXMF-OAQYLSRUSA-N 1 2 342.446 3.455 20 30 EGEDLO C=CCn1cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)cn1 ZINC001139770959 1377949162 /nfs/dbraw/zinc/94/91/62/1377949162.db2.gz IURSQNHGYCWGER-CALCHBBNSA-N 1 2 346.475 3.043 20 30 EGEDLO C=CCn1cc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)cn1 ZINC001139770959 1377949165 /nfs/dbraw/zinc/94/91/65/1377949165.db2.gz IURSQNHGYCWGER-CALCHBBNSA-N 1 2 346.475 3.043 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2cc(F)cc(C#N)c2)C1 ZINC001139873371 1377968366 /nfs/dbraw/zinc/96/83/66/1377968366.db2.gz MLPJNAWFALRLDF-INIZCTEOSA-N 1 2 333.407 3.186 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)cc(C#N)c2)C1 ZINC001139873371 1377968370 /nfs/dbraw/zinc/96/83/70/1377968370.db2.gz MLPJNAWFALRLDF-INIZCTEOSA-N 1 2 333.407 3.186 20 30 EGEDLO N#Cc1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)c(F)c1 ZINC001140141393 1378019514 /nfs/dbraw/zinc/01/95/14/1378019514.db2.gz VRFSQRZVAYNLEL-QGZVFWFLSA-N 1 2 337.389 3.393 20 30 EGEDLO C=C(C)CN1CC2(CCC1=O)CC[NH+](Cc1c(F)cncc1F)CC2 ZINC001272780516 1378081274 /nfs/dbraw/zinc/08/12/74/1378081274.db2.gz KNDMKQUNHMLFTG-UHFFFAOYSA-N 1 2 349.425 3.141 20 30 EGEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccnc1Cl ZINC001273192468 1378092591 /nfs/dbraw/zinc/09/25/91/1378092591.db2.gz FFVSWGXDFRJEKZ-GOSISDBHSA-N 1 2 333.863 3.268 20 30 EGEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cccnc1Cl ZINC001273192468 1378092595 /nfs/dbraw/zinc/09/25/95/1378092595.db2.gz FFVSWGXDFRJEKZ-GOSISDBHSA-N 1 2 333.863 3.268 20 30 EGEDLO Cn1nc2ccc(Br)cc2c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001140670922 1378110072 /nfs/dbraw/zinc/11/00/72/1378110072.db2.gz OLKAFVBHHUMBIH-LBPRGKRZSA-N 1 2 347.260 3.461 20 30 EGEDLO Cn1nc2ccc(Br)cc2c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001140670922 1378110074 /nfs/dbraw/zinc/11/00/74/1378110074.db2.gz OLKAFVBHHUMBIH-LBPRGKRZSA-N 1 2 347.260 3.461 20 30 EGEDLO Cn1nc2ccc(Br)cc2c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001140670921 1378110188 /nfs/dbraw/zinc/11/01/88/1378110188.db2.gz OLKAFVBHHUMBIH-GFCCVEGCSA-N 1 2 347.260 3.461 20 30 EGEDLO Cn1nc2ccc(Br)cc2c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001140670921 1378110190 /nfs/dbraw/zinc/11/01/90/1378110190.db2.gz OLKAFVBHHUMBIH-GFCCVEGCSA-N 1 2 347.260 3.461 20 30 EGEDLO COc1cccc2c1CC[N@H+](Cc1sc(N)c(C#N)c1Cl)C2 ZINC001141113947 1378242771 /nfs/dbraw/zinc/24/27/71/1378242771.db2.gz WOBPNUDCJIBNGS-UHFFFAOYSA-N 1 2 333.844 3.422 20 30 EGEDLO COc1cccc2c1CC[N@@H+](Cc1sc(N)c(C#N)c1Cl)C2 ZINC001141113947 1378242774 /nfs/dbraw/zinc/24/27/74/1378242774.db2.gz WOBPNUDCJIBNGS-UHFFFAOYSA-N 1 2 333.844 3.422 20 30 EGEDLO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(F)cc2C#N)O1 ZINC001141165930 1378257403 /nfs/dbraw/zinc/25/74/03/1378257403.db2.gz PTHYYPDKUCLHIE-VAMGGRTRSA-N 1 2 346.446 3.492 20 30 EGEDLO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(F)cc2C#N)O1 ZINC001141165930 1378257410 /nfs/dbraw/zinc/25/74/10/1378257410.db2.gz PTHYYPDKUCLHIE-VAMGGRTRSA-N 1 2 346.446 3.492 20 30 EGEDLO N#Cc1ccc(Oc2ccc(C[N@H+]3CC[C@@H](O)[C@H](F)C3)cc2)cc1 ZINC001141289327 1378292518 /nfs/dbraw/zinc/29/25/18/1378292518.db2.gz GOARLIZZXMWHAG-RTBURBONSA-N 1 2 326.371 3.255 20 30 EGEDLO N#Cc1ccc(Oc2ccc(C[N@@H+]3CC[C@@H](O)[C@H](F)C3)cc2)cc1 ZINC001141289327 1378292524 /nfs/dbraw/zinc/29/25/24/1378292524.db2.gz GOARLIZZXMWHAG-RTBURBONSA-N 1 2 326.371 3.255 20 30 EGEDLO N#Cc1ccc(Oc2ccc(C[N@H+]3CC(=O)N4CCC[C@H]4C3)cc2)cc1 ZINC001141296245 1378294272 /nfs/dbraw/zinc/29/42/72/1378294272.db2.gz YPQSPJIGJZQDSU-SFHVURJKSA-N 1 2 347.418 3.157 20 30 EGEDLO N#Cc1ccc(Oc2ccc(C[N@@H+]3CC(=O)N4CCC[C@H]4C3)cc2)cc1 ZINC001141296245 1378294278 /nfs/dbraw/zinc/29/42/78/1378294278.db2.gz YPQSPJIGJZQDSU-SFHVURJKSA-N 1 2 347.418 3.157 20 30 EGEDLO Cc1noc([C@@H]2CC[N@H+](Cc3cc(Br)ccc3C#N)C2)n1 ZINC001141905021 1378392443 /nfs/dbraw/zinc/39/24/43/1378392443.db2.gz MSFABADQRDPPEN-GFCCVEGCSA-N 1 2 347.216 3.002 20 30 EGEDLO Cc1noc([C@@H]2CC[N@@H+](Cc3cc(Br)ccc3C#N)C2)n1 ZINC001141905021 1378392446 /nfs/dbraw/zinc/39/24/46/1378392446.db2.gz MSFABADQRDPPEN-GFCCVEGCSA-N 1 2 347.216 3.002 20 30 EGEDLO Cn1cnc2c1C[N@H+](Cc1ccc(C#Cc3ccccc3)s1)CC2 ZINC001141977660 1378400275 /nfs/dbraw/zinc/40/02/75/1378400275.db2.gz MIFPBOFVQIOANH-UHFFFAOYSA-N 1 2 333.460 3.440 20 30 EGEDLO Cn1cnc2c1C[N@@H+](Cc1ccc(C#Cc3ccccc3)s1)CC2 ZINC001141977660 1378400277 /nfs/dbraw/zinc/40/02/77/1378400277.db2.gz MIFPBOFVQIOANH-UHFFFAOYSA-N 1 2 333.460 3.440 20 30 EGEDLO OC[C@H]1C[C@@H](F)C[N@H+](Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001141972351 1378400353 /nfs/dbraw/zinc/40/03/53/1378400353.db2.gz HZWIKEIMVIISLQ-DLBZAZTESA-N 1 2 329.440 3.300 20 30 EGEDLO OC[C@H]1C[C@@H](F)C[N@@H+](Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001141972351 1378400354 /nfs/dbraw/zinc/40/03/54/1378400354.db2.gz HZWIKEIMVIISLQ-DLBZAZTESA-N 1 2 329.440 3.300 20 30 EGEDLO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc(Cl)nn2)C1 ZINC001142073698 1378410797 /nfs/dbraw/zinc/41/07/97/1378410797.db2.gz ZLPMUSOKTXPSSL-OAHLLOKOSA-N 1 2 328.803 3.045 20 30 EGEDLO N#Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2ccc(Cl)nn2)C1 ZINC001142073698 1378410799 /nfs/dbraw/zinc/41/07/99/1378410799.db2.gz ZLPMUSOKTXPSSL-OAHLLOKOSA-N 1 2 328.803 3.045 20 30 EGEDLO N#Cc1ccc(F)c(C[NH+]2CCC3(CC(F)(F)CO3)CC2)c1F ZINC001143165461 1378552441 /nfs/dbraw/zinc/55/24/41/1378552441.db2.gz ZYKGMXNTUMJGNP-UHFFFAOYSA-N 1 2 328.309 3.227 20 30 EGEDLO Cc1cccnc1O[C@@H]1CC[N@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143179260 1378554687 /nfs/dbraw/zinc/55/46/87/1378554687.db2.gz WHYMIYRLURDPCU-CQSZACIVSA-N 1 2 329.350 3.193 20 30 EGEDLO Cc1cccnc1O[C@@H]1CC[N@@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143179260 1378554692 /nfs/dbraw/zinc/55/46/92/1378554692.db2.gz WHYMIYRLURDPCU-CQSZACIVSA-N 1 2 329.350 3.193 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1cc(C)cc(F)c1 ZINC001143586415 1378621450 /nfs/dbraw/zinc/62/14/50/1378621450.db2.gz LTZBYNKOSHFREH-GOSISDBHSA-N 1 2 329.419 3.170 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1cc(C)cc(F)c1 ZINC001143586415 1378621452 /nfs/dbraw/zinc/62/14/52/1378621452.db2.gz LTZBYNKOSHFREH-GOSISDBHSA-N 1 2 329.419 3.170 20 30 EGEDLO Cc1cc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)cc(F)c1F ZINC001143609873 1378623977 /nfs/dbraw/zinc/62/39/77/1378623977.db2.gz MKTXOIKKVRFFQD-UHFFFAOYSA-N 1 2 327.378 3.467 20 30 EGEDLO Cc1csc([C@H]2C[C@@H]3CC[N@H+](Cc4ccc(C#N)cn4)C[C@H]3O2)n1 ZINC001144157496 1378689712 /nfs/dbraw/zinc/68/97/12/1378689712.db2.gz LGZNOBMZZIMOIR-USXIJHARSA-N 1 2 340.452 3.070 20 30 EGEDLO Cc1csc([C@H]2C[C@@H]3CC[N@@H+](Cc4ccc(C#N)cn4)C[C@H]3O2)n1 ZINC001144157496 1378689716 /nfs/dbraw/zinc/68/97/16/1378689716.db2.gz LGZNOBMZZIMOIR-USXIJHARSA-N 1 2 340.452 3.070 20 30 EGEDLO CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001147598434 1379048458 /nfs/dbraw/zinc/04/84/58/1379048458.db2.gz UKUVPFLGNABDND-ZDUSSCGKSA-N 1 2 338.389 3.392 20 30 EGEDLO CCCCCCC[N@H+]1CCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001147598434 1379048449 /nfs/dbraw/zinc/04/84/49/1379048449.db2.gz UKUVPFLGNABDND-ZDUSSCGKSA-N 1 2 338.389 3.392 20 30 EGEDLO CCCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001147598434 1379048453 /nfs/dbraw/zinc/04/84/53/1379048453.db2.gz UKUVPFLGNABDND-ZDUSSCGKSA-N 1 2 338.389 3.392 20 30 EGEDLO CCCCCCC[N@@H+]1CCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001147598434 1379048444 /nfs/dbraw/zinc/04/84/44/1379048444.db2.gz UKUVPFLGNABDND-ZDUSSCGKSA-N 1 2 338.389 3.392 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C(C)C)o1)C2 ZINC001148126663 1379121860 /nfs/dbraw/zinc/12/18/60/1379121860.db2.gz ZUUGYBVOJDJCTH-INIZCTEOSA-N 1 2 345.487 3.435 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C(C)C)o1)C2 ZINC001148126663 1379121864 /nfs/dbraw/zinc/12/18/64/1379121864.db2.gz ZUUGYBVOJDJCTH-INIZCTEOSA-N 1 2 345.487 3.435 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@H+](CC(=C)Br)C2 ZINC001148128995 1379121961 /nfs/dbraw/zinc/12/19/61/1379121961.db2.gz CXQAWZZBMICKNB-CQSZACIVSA-N 1 2 341.293 3.032 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](CC(=C)Br)C2 ZINC001148128995 1379121963 /nfs/dbraw/zinc/12/19/63/1379121963.db2.gz CXQAWZZBMICKNB-CQSZACIVSA-N 1 2 341.293 3.032 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1cc(Cl)c[nH]1 ZINC001151841494 1379796195 /nfs/dbraw/zinc/79/61/95/1379796195.db2.gz LVHOYEOGDCGBLC-SNVBAGLBSA-N 1 2 348.672 3.017 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1cc(Cl)c[nH]1 ZINC001151841494 1379796197 /nfs/dbraw/zinc/79/61/97/1379796197.db2.gz LVHOYEOGDCGBLC-SNVBAGLBSA-N 1 2 348.672 3.017 20 30 EGEDLO C=CCC1(C(=O)NCC[NH2+][C@H](C)c2nc(C3CC3)no2)CCCCC1 ZINC001152003607 1379836841 /nfs/dbraw/zinc/83/68/41/1379836841.db2.gz NLEDQOBOFBLPAZ-CQSZACIVSA-N 1 2 346.475 3.240 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@@H]1CC1(C)C ZINC001152801707 1379982269 /nfs/dbraw/zinc/98/22/69/1379982269.db2.gz BOVZLFAGPOTBNQ-DYVFJYSZSA-N 1 2 331.435 3.070 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@@H]1CC1(C)C ZINC001152801707 1379982271 /nfs/dbraw/zinc/98/22/71/1379982271.db2.gz BOVZLFAGPOTBNQ-DYVFJYSZSA-N 1 2 331.435 3.070 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1nc(C)sc1C ZINC001152867439 1379988241 /nfs/dbraw/zinc/98/82/41/1379988241.db2.gz SNWXQQZQOFLLKN-CQSZACIVSA-N 1 2 335.517 3.280 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc(C)sc1C ZINC001152867439 1379988243 /nfs/dbraw/zinc/98/82/43/1379988243.db2.gz SNWXQQZQOFLLKN-CQSZACIVSA-N 1 2 335.517 3.280 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H](C)[N@H+](CC)CC=C(Cl)Cl)cc1 ZINC001154578526 1380309260 /nfs/dbraw/zinc/30/92/60/1380309260.db2.gz WXCVAIRBODDZPA-CYBMUJFWSA-N 1 2 339.266 3.427 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@@H](C)[N@@H+](CC)CC=C(Cl)Cl)cc1 ZINC001154578526 1380309264 /nfs/dbraw/zinc/30/92/64/1380309264.db2.gz WXCVAIRBODDZPA-CYBMUJFWSA-N 1 2 339.266 3.427 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001154767730 1380347378 /nfs/dbraw/zinc/34/73/78/1380347378.db2.gz BEPPQARWXALQLL-SIXLDLHFSA-N 1 2 343.446 3.070 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001154767730 1380347379 /nfs/dbraw/zinc/34/73/79/1380347379.db2.gz BEPPQARWXALQLL-SIXLDLHFSA-N 1 2 343.446 3.070 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@H+](CC)Cc1nccn1C(F)F ZINC001155067091 1380402570 /nfs/dbraw/zinc/40/25/70/1380402570.db2.gz RIZLJCJVFUVPCW-CXAGYDPISA-N 1 2 342.434 3.207 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nccn1C(F)F ZINC001155067091 1380402571 /nfs/dbraw/zinc/40/25/71/1380402571.db2.gz RIZLJCJVFUVPCW-CXAGYDPISA-N 1 2 342.434 3.207 20 30 EGEDLO CSc1nc(-c2ccccc2)nc(NCc2cc[nH+]c(N)c2)c1C#N ZINC001156756640 1380627304 /nfs/dbraw/zinc/62/73/04/1380627304.db2.gz BYGYXHPKTIFCRY-UHFFFAOYSA-N 1 2 348.435 3.326 20 30 EGEDLO C=C(C)C(=O)NCCCNc1[nH+]cccc1OCc1ccc(F)cc1 ZINC001156826205 1380660728 /nfs/dbraw/zinc/66/07/28/1380660728.db2.gz OASFTOWGWFQASY-UHFFFAOYSA-N 1 2 343.402 3.294 20 30 EGEDLO C=C[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1coc(C)n1)c1ccccc1 ZINC001157053814 1380763026 /nfs/dbraw/zinc/76/30/26/1380763026.db2.gz WWQLBFJXXHYQBA-DNVCBOLYSA-N 1 2 341.455 3.279 20 30 EGEDLO C=C[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1coc(C)n1)c1ccccc1 ZINC001157053814 1380763029 /nfs/dbraw/zinc/76/30/29/1380763029.db2.gz WWQLBFJXXHYQBA-DNVCBOLYSA-N 1 2 341.455 3.279 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2ncc(C)o2)CCCC1 ZINC001157364311 1380853838 /nfs/dbraw/zinc/85/38/38/1380853838.db2.gz NPUJEKIIAMYGFC-OAHLLOKOSA-N 1 2 333.476 3.446 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2ncc(C)o2)CCCC1 ZINC001157364311 1380853845 /nfs/dbraw/zinc/85/38/45/1380853845.db2.gz NPUJEKIIAMYGFC-OAHLLOKOSA-N 1 2 333.476 3.446 20 30 EGEDLO CCN(CCn1cc[nH+]c1)c1ncc(C)cc1C#C[Si](C)(C)C ZINC001157462595 1380914756 /nfs/dbraw/zinc/91/47/56/1380914756.db2.gz PHGVPEPZDIFSPI-UHFFFAOYSA-N 1 2 326.520 3.342 20 30 EGEDLO CCN(CCn1cc[nH+]c1)c1cc(C#N)c2cc(Cl)ccc2n1 ZINC001157467466 1380916647 /nfs/dbraw/zinc/91/66/47/1380916647.db2.gz VIDXJMVLRYASMA-UHFFFAOYSA-N 1 2 325.803 3.483 20 30 EGEDLO CC#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(C)s1 ZINC001158358029 1381217082 /nfs/dbraw/zinc/21/70/82/1381217082.db2.gz UXSOGGHBWWQLOQ-QGZVFWFLSA-N 1 2 347.528 3.458 20 30 EGEDLO CC#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(C)s1 ZINC001158358029 1381217084 /nfs/dbraw/zinc/21/70/84/1381217084.db2.gz UXSOGGHBWWQLOQ-QGZVFWFLSA-N 1 2 347.528 3.458 20 30 EGEDLO Cc1cccn2c([C@H](C)Nc3nc(C#N)c(C#N)nc3Cl)c[nH+]c12 ZINC001160683732 1382169913 /nfs/dbraw/zinc/16/99/13/1382169913.db2.gz QOXAUQDDRMPJRN-JTQLQIEISA-N 1 2 337.774 3.003 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2ncc(CC)o2)CC1 ZINC001160960883 1382251743 /nfs/dbraw/zinc/25/17/43/1382251743.db2.gz AVBZQGPAIXOZTA-INIZCTEOSA-N 1 2 345.487 3.478 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2ncc(CC)o2)CC1 ZINC001160960883 1382251750 /nfs/dbraw/zinc/25/17/50/1382251750.db2.gz AVBZQGPAIXOZTA-INIZCTEOSA-N 1 2 345.487 3.478 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@H+](Cc2nccs2)CC1 ZINC001161116658 1382305851 /nfs/dbraw/zinc/30/58/51/1382305851.db2.gz NCPUQRGNTOBLLA-GOSISDBHSA-N 1 2 333.501 3.384 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@@H+](Cc2nccs2)CC1 ZINC001161116658 1382305858 /nfs/dbraw/zinc/30/58/58/1382305858.db2.gz NCPUQRGNTOBLLA-GOSISDBHSA-N 1 2 333.501 3.384 20 30 EGEDLO N#Cc1cc(C#N)c(NCc2c[nH+]cn2CC2CCC2)nc1Cl ZINC001161531410 1382432022 /nfs/dbraw/zinc/43/20/22/1382432022.db2.gz NVTFHOCIXDGMKZ-UHFFFAOYSA-N 1 2 326.791 3.087 20 30 EGEDLO N#Cc1ccc2cc[nH+]c(NCc3ccc(-n4ccnn4)cc3)c2c1 ZINC001162820522 1382885417 /nfs/dbraw/zinc/88/54/17/1382885417.db2.gz GXYCQLBOVCAASY-UHFFFAOYSA-N 1 2 326.363 3.299 20 30 EGEDLO N#C[C@@H]1C[NH2+]CCN1c1nc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC001164641879 1383212633 /nfs/dbraw/zinc/21/26/33/1383212633.db2.gz OFWLNAVEXUAGQN-OAHLLOKOSA-N 1 2 349.825 3.252 20 30 EGEDLO COC[C@]12CCCO[C@@H]1CCN(c1[nH+]ccc3ccc(C#N)cc31)C2 ZINC001165954412 1383370364 /nfs/dbraw/zinc/37/03/64/1383370364.db2.gz RUPPFTHNUYIRCG-UYAOXDASSA-N 1 2 337.423 3.128 20 30 EGEDLO N#Cc1ccc2cc[nH+]c(N3CCc4ncnc(C5CC5)c4CC3)c2c1 ZINC001166157199 1383396282 /nfs/dbraw/zinc/39/62/82/1383396282.db2.gz PKXPCBFXPYFNEY-UHFFFAOYSA-N 1 2 341.418 3.379 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1(C[NH2+]Cc2noc(C(C)C)n2)CC1 ZINC001166746176 1383470317 /nfs/dbraw/zinc/47/03/17/1383470317.db2.gz CZHQNKWQOXYXCG-OAHLLOKOSA-N 1 2 348.491 3.171 20 30 EGEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(N[C@@H](C)c2cnccn2)[nH+]1 ZINC001169529454 1384156871 /nfs/dbraw/zinc/15/68/71/1384156871.db2.gz KLNLATYUQIBNLR-CWLQQOIZSA-N 1 2 345.472 3.234 20 30 EGEDLO C=CCCCNc1cc(N2CCN(c3ccc(F)cc3)CC2)nc[nH+]1 ZINC001170298665 1384284957 /nfs/dbraw/zinc/28/49/57/1384284957.db2.gz ILIDEIHFPFABNZ-UHFFFAOYSA-N 1 2 341.434 3.320 20 30 EGEDLO C=CCCCNc1cc(N2CCN(c3ccc(F)cc3)CC2)[nH+]cn1 ZINC001170298665 1384284968 /nfs/dbraw/zinc/28/49/68/1384284968.db2.gz ILIDEIHFPFABNZ-UHFFFAOYSA-N 1 2 341.434 3.320 20 30 EGEDLO CCOCc1cnc2n1CC[N@H+]([C@@H](C)Cc1cccc(C#N)c1)[C@@H]2C ZINC001171211598 1384469636 /nfs/dbraw/zinc/46/96/36/1384469636.db2.gz FNMBFBCPIWLUSU-JKSUJKDBSA-N 1 2 338.455 3.299 20 30 EGEDLO CCOCc1cnc2n1CC[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)[C@@H]2C ZINC001171211598 1384469638 /nfs/dbraw/zinc/46/96/38/1384469638.db2.gz FNMBFBCPIWLUSU-JKSUJKDBSA-N 1 2 338.455 3.299 20 30 EGEDLO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1[C@@H](C)Cc1cccc(C#N)c1 ZINC001171223340 1384472456 /nfs/dbraw/zinc/47/24/56/1384472456.db2.gz MZDCYCPDGKHGSO-MGPUTAFESA-N 1 2 334.419 3.089 20 30 EGEDLO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1[C@@H](C)Cc1cccc(C#N)c1 ZINC001171223340 1384472459 /nfs/dbraw/zinc/47/24/59/1384472459.db2.gz MZDCYCPDGKHGSO-MGPUTAFESA-N 1 2 334.419 3.089 20 30 EGEDLO N#C[C@H]1C[NH2+]CCN1C1CCC(c2ccc(Br)cc2)CC1 ZINC001171650594 1384592800 /nfs/dbraw/zinc/59/28/00/1384592800.db2.gz WEXGZKQMPVQAHR-PREGVCBESA-N 1 2 348.288 3.273 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([NH2+][C@H](C)c2nc(CCCC)no2)C1 ZINC001317063822 1384834566 /nfs/dbraw/zinc/83/45/66/1384834566.db2.gz GPCWCZBMYWICRF-CABCVRRESA-N 1 2 348.491 3.266 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCCCC2(F)F)C[C@H]1C#N ZINC001172976949 1384894707 /nfs/dbraw/zinc/89/47/07/1384894707.db2.gz XTONNLMBRSYFOE-MELADBBJSA-N 1 2 343.418 3.446 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@@](C)(F)[C@H](F)C2)C[C@H]1C#N ZINC001172981609 1384895293 /nfs/dbraw/zinc/89/52/93/1384895293.db2.gz XNZROXJDQHQKSD-SZOQZIPDSA-N 1 2 343.418 3.050 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@@](C)(F)[C@H](F)C2)C[C@H]1C#N ZINC001172981609 1384895298 /nfs/dbraw/zinc/89/52/98/1384895298.db2.gz XNZROXJDQHQKSD-SZOQZIPDSA-N 1 2 343.418 3.050 20 30 EGEDLO Cc1cc(C#N)ccc1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001174432022 1385108211 /nfs/dbraw/zinc/10/82/11/1385108211.db2.gz HWNSDBJDXAJPOV-UHFFFAOYSA-N 1 2 337.423 3.321 20 30 EGEDLO C=C1CCC(C(=O)NCC[C@H](C)[NH2+]Cc2noc(C(C)(C)C)n2)CC1 ZINC001317405349 1385118440 /nfs/dbraw/zinc/11/84/40/1385118440.db2.gz JCTXJMWAIZUSCV-AWEZNQCLSA-N 1 2 348.491 3.098 20 30 EGEDLO N#Cc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)c(F)c1Cl ZINC001174980183 1385178163 /nfs/dbraw/zinc/17/81/63/1385178163.db2.gz XLRYQIQTSWOBIN-UHFFFAOYSA-N 1 2 332.766 3.326 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccc(Cl)cc1OC ZINC001317483449 1385180118 /nfs/dbraw/zinc/18/01/18/1385180118.db2.gz FIEHISXYHKNCHH-UHFFFAOYSA-N 1 2 331.243 3.153 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccc(Cl)cc1OC ZINC001317483449 1385180119 /nfs/dbraw/zinc/18/01/19/1385180119.db2.gz FIEHISXYHKNCHH-UHFFFAOYSA-N 1 2 331.243 3.153 20 30 EGEDLO C[N@@H+]1CCc2c(C#N)c(Nc3ccccc3[S@@](C)=O)sc2C1 ZINC001175309218 1385247908 /nfs/dbraw/zinc/24/79/08/1385247908.db2.gz YNHBNBVVQWXVAB-JOCHJYFZSA-N 1 2 331.466 3.089 20 30 EGEDLO C[N@H+]1CCc2c(C#N)c(Nc3ccccc3[S@@](C)=O)sc2C1 ZINC001175309218 1385247914 /nfs/dbraw/zinc/24/79/14/1385247914.db2.gz YNHBNBVVQWXVAB-JOCHJYFZSA-N 1 2 331.466 3.089 20 30 EGEDLO Cc1cc(C[N@@H+]2CCCN(c3ccc(Cl)cc3C#N)CC2)no1 ZINC001318305705 1385647886 /nfs/dbraw/zinc/64/78/86/1385647886.db2.gz RIMCNRRVEZUOKJ-UHFFFAOYSA-N 1 2 330.819 3.220 20 30 EGEDLO Cc1cc(C[N@H+]2CCCN(c3ccc(Cl)cc3C#N)CC2)no1 ZINC001318305705 1385647888 /nfs/dbraw/zinc/64/78/88/1385647888.db2.gz RIMCNRRVEZUOKJ-UHFFFAOYSA-N 1 2 330.819 3.220 20 30 EGEDLO COC(=O)c1scc(C#N)c1Nc1ccc[nH+]c1N1CCCC1 ZINC001176750434 1385682404 /nfs/dbraw/zinc/68/24/04/1385682404.db2.gz SINKLEWVJZTHJU-UHFFFAOYSA-N 1 2 328.397 3.145 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CCCc2ccc(F)cc2)C1 ZINC001318430200 1385687162 /nfs/dbraw/zinc/68/71/62/1385687162.db2.gz XDILQRJEVGYSLP-QGZVFWFLSA-N 1 2 338.854 3.434 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CCCc2ccc(F)cc2)C1 ZINC001318430200 1385687166 /nfs/dbraw/zinc/68/71/66/1385687166.db2.gz XDILQRJEVGYSLP-QGZVFWFLSA-N 1 2 338.854 3.434 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)CC(CC)CC)C1 ZINC001318442984 1385693627 /nfs/dbraw/zinc/69/36/27/1385693627.db2.gz ORGMYULBXCQBIA-CQSZACIVSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)CC(CC)CC)C1 ZINC001318442984 1385693634 /nfs/dbraw/zinc/69/36/34/1385693634.db2.gz ORGMYULBXCQBIA-CQSZACIVSA-N 1 2 331.298 3.254 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@@H+](Cc3ccc(CC)cc3)[C@H]2C1 ZINC001176955485 1385755505 /nfs/dbraw/zinc/75/55/05/1385755505.db2.gz UIAYEZHRARRUGZ-VQTJNVASSA-N 1 2 342.483 3.017 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@H+](Cc3ccc(CC)cc3)[C@H]2C1 ZINC001176955485 1385755510 /nfs/dbraw/zinc/75/55/10/1385755510.db2.gz UIAYEZHRARRUGZ-VQTJNVASSA-N 1 2 342.483 3.017 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]2OCC[N@H+](Cc3cccc(C)c3)[C@@H]2C1 ZINC001177025428 1385777271 /nfs/dbraw/zinc/77/72/71/1385777271.db2.gz QKLFXPSIHAFIJL-UXHICEINSA-N 1 2 342.483 3.153 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]2OCC[N@@H+](Cc3cccc(C)c3)[C@@H]2C1 ZINC001177025428 1385777273 /nfs/dbraw/zinc/77/72/73/1385777273.db2.gz QKLFXPSIHAFIJL-UXHICEINSA-N 1 2 342.483 3.153 20 30 EGEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C(CC(C)C)CC(C)C)C[C@H]21 ZINC001177157582 1385837976 /nfs/dbraw/zinc/83/79/76/1385837976.db2.gz SVZIRXADEYMQBG-WOJBJXKFSA-N 1 2 348.531 3.020 20 30 EGEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(CC(C)C)CC(C)C)C[C@H]21 ZINC001177157582 1385837978 /nfs/dbraw/zinc/83/79/78/1385837978.db2.gz SVZIRXADEYMQBG-WOJBJXKFSA-N 1 2 348.531 3.020 20 30 EGEDLO C=CCN(C)c1nnc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)n1C ZINC001338396300 1389668826 /nfs/dbraw/zinc/66/88/26/1389668826.db2.gz YWOYCVDTKAYOIQ-KRWDZBQOSA-N 1 2 325.460 3.165 20 30 EGEDLO C=CCN(C)c1nnc([C@@H]2CCCC[N@H+]2Cc2ccccc2)n1C ZINC001338396300 1389668830 /nfs/dbraw/zinc/66/88/30/1389668830.db2.gz YWOYCVDTKAYOIQ-KRWDZBQOSA-N 1 2 325.460 3.165 20 30 EGEDLO C=C(C)CCC(=O)NC1(c2noc(C[NH+](CC)CC)n2)CCCC1 ZINC001338805399 1389772910 /nfs/dbraw/zinc/77/29/10/1389772910.db2.gz SJCBWLWZKDKCPK-UHFFFAOYSA-N 1 2 334.464 3.153 20 30 EGEDLO C=CCn1c(Nc2cnn(C3CCC3)c2)nnc1[C@H]1CCCC[N@H+]1C ZINC001340263130 1390260864 /nfs/dbraw/zinc/26/08/64/1390260864.db2.gz BCQHIHAULZIIHX-MRXNPFEDSA-N 1 2 341.463 3.286 20 30 EGEDLO C=CCn1c(Nc2cnn(C3CCC3)c2)nnc1[C@H]1CCCC[N@@H+]1C ZINC001340263130 1390260867 /nfs/dbraw/zinc/26/08/67/1390260867.db2.gz BCQHIHAULZIIHX-MRXNPFEDSA-N 1 2 341.463 3.286 20 30 EGEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1Cc2ccccc2[C@H]1CC ZINC001340593997 1390323825 /nfs/dbraw/zinc/32/38/25/1390323825.db2.gz OMIKMWFMCRXBAS-QGZVFWFLSA-N 1 2 348.454 3.260 20 30 EGEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@@H](C)c1cccs1 ZINC001340595375 1390324421 /nfs/dbraw/zinc/32/44/21/1390324421.db2.gz YJNZUYYTJCZSNN-ZDUSSCGKSA-N 1 2 342.472 3.047 20 30 EGEDLO CCOc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)Nc1cccc(C#N)c1)CC2 ZINC001340788698 1390367550 /nfs/dbraw/zinc/36/75/50/1390367550.db2.gz ZTRDGOUOYYZFJK-OAHLLOKOSA-N 1 2 349.434 3.342 20 30 EGEDLO CCOc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)Nc1cccc(C#N)c1)CC2 ZINC001340788698 1390367553 /nfs/dbraw/zinc/36/75/53/1390367553.db2.gz ZTRDGOUOYYZFJK-OAHLLOKOSA-N 1 2 349.434 3.342 20 30 EGEDLO C=CC[C@H]1CCCN(c2nnc([C@@H]3CCC[N@H+]3C)n2CC(=C)C)C1 ZINC001341902737 1390547430 /nfs/dbraw/zinc/54/74/30/1390547430.db2.gz JYCMIYYTKXIAIN-IRXDYDNUSA-N 1 2 329.492 3.413 20 30 EGEDLO C=CC[C@H]1CCCN(c2nnc([C@@H]3CCC[N@@H+]3C)n2CC(=C)C)C1 ZINC001341902737 1390547432 /nfs/dbraw/zinc/54/74/32/1390547432.db2.gz JYCMIYYTKXIAIN-IRXDYDNUSA-N 1 2 329.492 3.413 20 30 EGEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H]1[C@@H](C)CCC ZINC001342415448 1390610600 /nfs/dbraw/zinc/61/06/00/1390610600.db2.gz KOGQASPOZMWROY-HOTGVXAUSA-N 1 2 342.491 3.193 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCCC[C@H](SC)C1 ZINC001343457735 1390715319 /nfs/dbraw/zinc/71/53/19/1390715319.db2.gz QUWQTNIWYYFUOJ-JKSUJKDBSA-N 1 2 349.548 3.343 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCCC[C@H](SC)C1 ZINC001343457735 1390715320 /nfs/dbraw/zinc/71/53/20/1390715320.db2.gz QUWQTNIWYYFUOJ-JKSUJKDBSA-N 1 2 349.548 3.343 20 30 EGEDLO C=CCN(CC=C)c1nnc([C@H]2CCC[N@H+]2C)n1Cc1cccs1 ZINC001344653197 1390805697 /nfs/dbraw/zinc/80/56/97/1390805697.db2.gz GDULKHMYYOQADD-MRXNPFEDSA-N 1 2 343.500 3.333 20 30 EGEDLO C=CCN(CC=C)c1nnc([C@H]2CCC[N@@H+]2C)n1Cc1cccs1 ZINC001344653197 1390805699 /nfs/dbraw/zinc/80/56/99/1390805699.db2.gz GDULKHMYYOQADD-MRXNPFEDSA-N 1 2 343.500 3.333 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC(F)(F)C[C@H]1C ZINC001346187786 1390914007 /nfs/dbraw/zinc/91/40/07/1390914007.db2.gz HMEXSOSXNMUABI-ZIAGYGMSSA-N 1 2 339.434 3.245 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC(F)(F)C[C@H]1C ZINC001346187786 1390914008 /nfs/dbraw/zinc/91/40/08/1390914008.db2.gz HMEXSOSXNMUABI-ZIAGYGMSSA-N 1 2 339.434 3.245 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccs1 ZINC001700349070 1413838677 /nfs/dbraw/zinc/83/86/77/1413838677.db2.gz IUUXVQSTACNSRJ-LBPRGKRZSA-N 1 2 343.290 3.193 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cccs1 ZINC001700349070 1413838684 /nfs/dbraw/zinc/83/86/84/1413838684.db2.gz IUUXVQSTACNSRJ-LBPRGKRZSA-N 1 2 343.290 3.193 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)[C@@H]1CCC(C)(C)C1 ZINC001698993797 1406787918 /nfs/dbraw/zinc/78/79/18/1406787918.db2.gz DETASXGFWJGGNE-MRXNPFEDSA-N 1 2 327.472 3.275 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)[C@@H]1CCC(C)(C)C1 ZINC001698993797 1406787923 /nfs/dbraw/zinc/78/79/23/1406787923.db2.gz DETASXGFWJGGNE-MRXNPFEDSA-N 1 2 327.472 3.275 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C(C)(C)c2ccc(F)cc2)C1 ZINC001485532316 1396003134 /nfs/dbraw/zinc/00/31/34/1396003134.db2.gz GAEKPHHVHQSTCC-ZDUSSCGKSA-N 1 2 338.854 3.292 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cccc2c1OCC2(C)C)C1CC1 ZINC001493455175 1396340242 /nfs/dbraw/zinc/34/02/42/1396340242.db2.gz WZWQEDKBBPNKTJ-UHFFFAOYSA-N 1 2 348.874 3.303 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cccc2c1OCC2(C)C)C1CC1 ZINC001493455175 1396340243 /nfs/dbraw/zinc/34/02/43/1396340243.db2.gz WZWQEDKBBPNKTJ-UHFFFAOYSA-N 1 2 348.874 3.303 20 30 EGEDLO CCC[C@H](C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1)C(C)C ZINC001494599968 1396484137 /nfs/dbraw/zinc/48/41/37/1396484137.db2.gz XHTSHGLLXYRHIH-SFHVURJKSA-N 1 2 345.462 3.318 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1ccc2cc[nH]c2c1 ZINC001496791354 1396728073 /nfs/dbraw/zinc/72/80/73/1396728073.db2.gz FIAZVVGCTXCTLF-UHFFFAOYSA-N 1 2 346.434 3.244 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1ccc2cc[nH]c2c1 ZINC001496791354 1396728078 /nfs/dbraw/zinc/72/80/78/1396728078.db2.gz FIAZVVGCTXCTLF-UHFFFAOYSA-N 1 2 346.434 3.244 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)CCC2CCC2)C1 ZINC001690036742 1404274455 /nfs/dbraw/zinc/27/44/55/1404274455.db2.gz ZFDCBNXSIACUNB-LJQANCHMSA-N 1 2 325.456 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)CCC2CCC2)C1 ZINC001690036742 1404274458 /nfs/dbraw/zinc/27/44/58/1404274458.db2.gz ZFDCBNXSIACUNB-LJQANCHMSA-N 1 2 325.456 3.219 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC001691019522 1404933137 /nfs/dbraw/zinc/93/31/37/1404933137.db2.gz AXIIIPBIQQLRFM-ZIAGYGMSSA-N 1 2 326.893 3.351 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC001691019522 1404933139 /nfs/dbraw/zinc/93/31/39/1404933139.db2.gz AXIIIPBIQQLRFM-ZIAGYGMSSA-N 1 2 326.893 3.351 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C1(c2cccc(F)c2)CCC1 ZINC001691034263 1404942866 /nfs/dbraw/zinc/94/28/66/1404942866.db2.gz KGFXXUOKFANRJI-UHFFFAOYSA-N 1 2 338.854 3.438 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C1(c2cccc(F)c2)CCC1 ZINC001691034263 1404942867 /nfs/dbraw/zinc/94/28/67/1404942867.db2.gz KGFXXUOKFANRJI-UHFFFAOYSA-N 1 2 338.854 3.438 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@@H+](Cc2nc(C)c(C)s2)C1 ZINC001692138270 1405793140 /nfs/dbraw/zinc/79/31/40/1405793140.db2.gz IIVAONYOQLHDAX-HNNXBMFYSA-N 1 2 335.517 3.443 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@H+](Cc2nc(C)c(C)s2)C1 ZINC001692138270 1405793141 /nfs/dbraw/zinc/79/31/41/1405793141.db2.gz IIVAONYOQLHDAX-HNNXBMFYSA-N 1 2 335.517 3.443 20 30 EGEDLO CCCC1(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)CCC1 ZINC001692324561 1405942802 /nfs/dbraw/zinc/94/28/02/1405942802.db2.gz CBYOSXITYSCZER-UHFFFAOYSA-N 1 2 343.446 3.216 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH]c3ccccc23)C1 ZINC001698572204 1406177170 /nfs/dbraw/zinc/17/71/70/1406177170.db2.gz BSZZWQCFQALBRM-MRXNPFEDSA-N 1 2 345.874 3.386 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH]c3ccccc23)C1 ZINC001698572204 1406177172 /nfs/dbraw/zinc/17/71/72/1406177172.db2.gz BSZZWQCFQALBRM-MRXNPFEDSA-N 1 2 345.874 3.386 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2ncc(C)cc2C)C1 ZINC001732039795 1428266673 /nfs/dbraw/zinc/26/66/73/1428266673.db2.gz VJNHOFCBSVLALV-MRXNPFEDSA-N 1 2 335.879 3.377 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ncc(C)cc2C)C1 ZINC001732039795 1428266674 /nfs/dbraw/zinc/26/66/74/1428266674.db2.gz VJNHOFCBSVLALV-MRXNPFEDSA-N 1 2 335.879 3.377 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1c(C)oc2ccccc21 ZINC001699475369 1412867737 /nfs/dbraw/zinc/86/77/37/1412867737.db2.gz CURWFMWFJFVELX-ZDUSSCGKSA-N 1 2 334.847 3.473 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1c(C)oc2ccccc21 ZINC001699475369 1412867739 /nfs/dbraw/zinc/86/77/39/1412867739.db2.gz CURWFMWFJFVELX-ZDUSSCGKSA-N 1 2 334.847 3.473 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)CCc1ccc(F)cc1 ZINC001713253328 1417848336 /nfs/dbraw/zinc/84/83/36/1417848336.db2.gz QBGABXHZUBPUAY-KRWDZBQOSA-N 1 2 338.854 3.482 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)CCc1ccc(F)cc1 ZINC001713253328 1417848341 /nfs/dbraw/zinc/84/83/41/1417848341.db2.gz QBGABXHZUBPUAY-KRWDZBQOSA-N 1 2 338.854 3.482 20 30 EGEDLO Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001713470407 1418137333 /nfs/dbraw/zinc/13/73/33/1418137333.db2.gz YBVZKIONANMSKN-LEWJYISDSA-N 1 2 347.462 3.218 20 30 EGEDLO Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001713470407 1418137338 /nfs/dbraw/zinc/13/73/38/1418137338.db2.gz YBVZKIONANMSKN-LEWJYISDSA-N 1 2 347.462 3.218 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc(F)ccc1Cl)C1CC1 ZINC001713562960 1418366265 /nfs/dbraw/zinc/36/62/65/1418366265.db2.gz TWYVBUOWWNSWSX-UHFFFAOYSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc(F)ccc1Cl)C1CC1 ZINC001713562960 1418366269 /nfs/dbraw/zinc/36/62/69/1418366269.db2.gz TWYVBUOWWNSWSX-UHFFFAOYSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)c2cc(C)no2)CC1 ZINC001713852865 1418649355 /nfs/dbraw/zinc/64/93/55/1418649355.db2.gz AAHVZNRZTFQPSN-UHFFFAOYSA-N 1 2 325.840 3.052 20 30 EGEDLO CCCC(CCC)C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001713916030 1418711300 /nfs/dbraw/zinc/71/13/00/1418711300.db2.gz BXHITGJCQALYHC-UHFFFAOYSA-N 1 2 327.472 3.323 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H](C)Oc1ccc(C)cc1)C1CC1 ZINC001714677460 1419470220 /nfs/dbraw/zinc/47/02/20/1419470220.db2.gz VLYBIKJAPDWDHU-HNNXBMFYSA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H](C)Oc1ccc(C)cc1)C1CC1 ZINC001714677460 1419470222 /nfs/dbraw/zinc/47/02/22/1419470222.db2.gz VLYBIKJAPDWDHU-HNNXBMFYSA-N 1 2 336.863 3.095 20 30 EGEDLO Cc1cc(C(=O)N(C)CC[N@H+](C)Cc2ccc(C#N)cc2F)oc1C ZINC001715801914 1420349543 /nfs/dbraw/zinc/34/95/43/1420349543.db2.gz NBFPLMFBBWFIJJ-UHFFFAOYSA-N 1 2 343.402 3.111 20 30 EGEDLO Cc1cc(C(=O)N(C)CC[N@@H+](C)Cc2ccc(C#N)cc2F)oc1C ZINC001715801914 1420349546 /nfs/dbraw/zinc/34/95/46/1420349546.db2.gz NBFPLMFBBWFIJJ-UHFFFAOYSA-N 1 2 343.402 3.111 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CCCc2ccsc2)C1 ZINC001717552385 1421489599 /nfs/dbraw/zinc/48/95/99/1421489599.db2.gz HWHDLRHRPYKMHV-CYBMUJFWSA-N 1 2 326.893 3.260 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2c[nH]c3c2cccc3C)C1 ZINC001717560058 1421496105 /nfs/dbraw/zinc/49/61/05/1421496105.db2.gz XQXGSFDVTFTVLI-CQSZACIVSA-N 1 2 345.874 3.208 20 30 EGEDLO C[N@H+](CCNC(=O)C1(C)CCCCCC1)Cc1ccccc1C#N ZINC001731773772 1427888227 /nfs/dbraw/zinc/88/82/27/1427888227.db2.gz HWHPMFZXPCAAQU-UHFFFAOYSA-N 1 2 327.472 3.467 20 30 EGEDLO C[N@@H+](CCNC(=O)C1(C)CCCCCC1)Cc1ccccc1C#N ZINC001731773772 1427888233 /nfs/dbraw/zinc/88/82/33/1427888233.db2.gz HWHPMFZXPCAAQU-UHFFFAOYSA-N 1 2 327.472 3.467 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccc(C)c2cccnc12 ZINC001731806451 1427978433 /nfs/dbraw/zinc/97/84/33/1427978433.db2.gz IZOSFTZWIDFHNI-UHFFFAOYSA-N 1 2 331.847 3.347 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccc(C)c2cccnc12 ZINC001731806451 1427978435 /nfs/dbraw/zinc/97/84/35/1427978435.db2.gz IZOSFTZWIDFHNI-UHFFFAOYSA-N 1 2 331.847 3.347 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C1(c2cccnc2)CCCC1 ZINC001734051557 1437841597 /nfs/dbraw/zinc/84/15/97/1437841597.db2.gz NTRVYRBYNUFIOG-OAHLLOKOSA-N 1 2 335.879 3.082 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C1(c2cccnc2)CCCC1 ZINC001734051557 1437841600 /nfs/dbraw/zinc/84/16/00/1437841600.db2.gz NTRVYRBYNUFIOG-OAHLLOKOSA-N 1 2 335.879 3.082 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001752844448 1440231948 /nfs/dbraw/zinc/23/19/48/1440231948.db2.gz UQHGATDGKTWOEI-ZUOVELAISA-N 1 2 329.271 3.120 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001752844448 1440231949 /nfs/dbraw/zinc/23/19/49/1440231949.db2.gz UQHGATDGKTWOEI-ZUOVELAISA-N 1 2 329.271 3.120 20 30 EGEDLO C=C[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ncc(C(C)C)o1)c1ccccc1 ZINC001752920334 1440248502 /nfs/dbraw/zinc/24/85/02/1440248502.db2.gz BHZGAZXAAHQBGO-RDJZCZTQSA-N 1 2 341.455 3.362 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H]([N@@H+](C)Cc2csc(CCC)n2)C1 ZINC001752987534 1440258594 /nfs/dbraw/zinc/25/85/94/1440258594.db2.gz BTPIDSFLWMBDHJ-INIZCTEOSA-N 1 2 335.517 3.485 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H]([N@H+](C)Cc2csc(CCC)n2)C1 ZINC001752987534 1440258595 /nfs/dbraw/zinc/25/85/95/1440258595.db2.gz BTPIDSFLWMBDHJ-INIZCTEOSA-N 1 2 335.517 3.485 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2nc(C)oc2C)C1 ZINC001752995606 1440261772 /nfs/dbraw/zinc/26/17/72/1440261772.db2.gz XUXXPZNLNBOGIK-DLBZAZTESA-N 1 2 333.476 3.317 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2nc(C)oc2C)C1 ZINC001752995606 1440261773 /nfs/dbraw/zinc/26/17/73/1440261773.db2.gz XUXXPZNLNBOGIK-DLBZAZTESA-N 1 2 333.476 3.317 20 30 EGEDLO C[N@H+](CCNC(=O)[C@@H]1CCC=CCCC1)Cc1ccccc1C#N ZINC001753053752 1440280382 /nfs/dbraw/zinc/28/03/82/1440280382.db2.gz RWRRUJPHOACTAY-QGZVFWFLSA-N 1 2 325.456 3.243 20 30 EGEDLO C[N@@H+](CCNC(=O)[C@@H]1CCC=CCCC1)Cc1ccccc1C#N ZINC001753053752 1440280383 /nfs/dbraw/zinc/28/03/83/1440280383.db2.gz RWRRUJPHOACTAY-QGZVFWFLSA-N 1 2 325.456 3.243 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C[C@H]1CCO[C@H](C(C)C)C1 ZINC001753092770 1440300210 /nfs/dbraw/zinc/30/02/10/1440300210.db2.gz NABCLBWKFMJVGF-HOTGVXAUSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C[C@H]1CCO[C@H](C(C)C)C1 ZINC001753092770 1440300211 /nfs/dbraw/zinc/30/02/11/1440300211.db2.gz NABCLBWKFMJVGF-HOTGVXAUSA-N 1 2 330.900 3.018 20 30 EGEDLO C=CCC1(C(=O)NCC[N@@H+](CC)Cc2nocc2C)CCCCC1 ZINC001753095471 1440302352 /nfs/dbraw/zinc/30/23/52/1440302352.db2.gz YQYOLBSJEIUWOT-UHFFFAOYSA-N 1 2 333.476 3.448 20 30 EGEDLO C=CCC1(C(=O)NCC[N@H+](CC)Cc2nocc2C)CCCCC1 ZINC001753095471 1440302353 /nfs/dbraw/zinc/30/23/53/1440302353.db2.gz YQYOLBSJEIUWOT-UHFFFAOYSA-N 1 2 333.476 3.448 20 30 EGEDLO CC(C)C#CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1Cl ZINC001753106140 1440306213 /nfs/dbraw/zinc/30/62/13/1440306213.db2.gz UVAGDQAYKWXDTI-INIZCTEOSA-N 1 2 336.838 3.219 20 30 EGEDLO CC(C)C#CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1Cl ZINC001753106140 1440306214 /nfs/dbraw/zinc/30/62/14/1440306214.db2.gz UVAGDQAYKWXDTI-INIZCTEOSA-N 1 2 336.838 3.219 20 30 EGEDLO C#CCCCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1F ZINC001753105955 1440306373 /nfs/dbraw/zinc/30/63/73/1440306373.db2.gz SQYZDMGWUPJKSN-MRXNPFEDSA-N 1 2 336.838 3.363 20 30 EGEDLO C#CCCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1F ZINC001753105955 1440306374 /nfs/dbraw/zinc/30/63/74/1440306374.db2.gz SQYZDMGWUPJKSN-MRXNPFEDSA-N 1 2 336.838 3.363 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCC1C[NH+](Cc2cc(O)ccc2Cl)C1 ZINC001753410690 1440393049 /nfs/dbraw/zinc/39/30/49/1440393049.db2.gz NFCHSBJKWCKBQG-CYBMUJFWSA-N 1 2 336.863 3.196 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)/C=C\C(C)(C)C)C1 ZINC001753430863 1440398450 /nfs/dbraw/zinc/39/84/50/1440398450.db2.gz CYAIRQYGWGRSNI-WOLRVDTOSA-N 1 2 329.282 3.030 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)/C=C\C(C)(C)C)C1 ZINC001753430863 1440398451 /nfs/dbraw/zinc/39/84/51/1440398451.db2.gz CYAIRQYGWGRSNI-WOLRVDTOSA-N 1 2 329.282 3.030 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ncc(C(C)C)o2)C1 ZINC001753441029 1440401698 /nfs/dbraw/zinc/40/16/98/1440401698.db2.gz ASRIMXADVSJJJQ-JKSUJKDBSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ncc(C(C)C)o2)C1 ZINC001753441029 1440401699 /nfs/dbraw/zinc/40/16/99/1440401699.db2.gz ASRIMXADVSJJJQ-JKSUJKDBSA-N 1 2 333.476 3.433 20 30 EGEDLO CCN(C(=O)C=C1CCC1)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001753455748 1440408242 /nfs/dbraw/zinc/40/82/42/1440408242.db2.gz WNGPZOCVCJODDT-IBGZPJMESA-N 1 2 341.430 3.230 20 30 EGEDLO CCN(C(=O)C=C1CCC1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001753455748 1440408243 /nfs/dbraw/zinc/40/82/43/1440408243.db2.gz WNGPZOCVCJODDT-IBGZPJMESA-N 1 2 341.430 3.230 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](CC)[NH2+]Cc2csnn2)CCCCC1 ZINC001753496681 1440421818 /nfs/dbraw/zinc/42/18/18/1440421818.db2.gz HBGUHLCDFLKWFD-CQSZACIVSA-N 1 2 336.505 3.049 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1C[N@H+](Cc2ccc(C3CC3)cc2)CCO1 ZINC001753648370 1440456114 /nfs/dbraw/zinc/45/61/14/1440456114.db2.gz FIPNNMWOSCCSFN-FQEVSTJZSA-N 1 2 342.483 3.237 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)CCO1 ZINC001753648370 1440456115 /nfs/dbraw/zinc/45/61/15/1440456115.db2.gz FIPNNMWOSCCSFN-FQEVSTJZSA-N 1 2 342.483 3.237 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](C/C=C/c2ccccc2)CCO1 ZINC001753651621 1440456395 /nfs/dbraw/zinc/45/63/95/1440456395.db2.gz QODLYVVCLQNAKI-UFUQCMIWSA-N 1 2 342.483 3.119 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](C/C=C/c2ccccc2)CCO1 ZINC001753651621 1440456396 /nfs/dbraw/zinc/45/63/96/1440456396.db2.gz QODLYVVCLQNAKI-UFUQCMIWSA-N 1 2 342.483 3.119 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)c(C)c2)CCO1 ZINC001753652387 1440456605 /nfs/dbraw/zinc/45/66/05/1440456605.db2.gz HBQZQTWFZGDVDR-TZIWHRDSSA-N 1 2 344.499 3.223 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)c(C)c2)CCO1 ZINC001753652387 1440456606 /nfs/dbraw/zinc/45/66/06/1440456606.db2.gz HBQZQTWFZGDVDR-TZIWHRDSSA-N 1 2 344.499 3.223 20 30 EGEDLO C=CCC1(C(=O)N(C)[C@@H](C)C[NH2+]Cc2cnsn2)CCCCC1 ZINC001753729254 1440475364 /nfs/dbraw/zinc/47/53/64/1440475364.db2.gz JIMUUNUDCPAWBY-AWEZNQCLSA-N 1 2 336.505 3.001 20 30 EGEDLO C[C@@H]1CC[C@@H](CC(=O)N(C)CC[N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001753861037 1440511479 /nfs/dbraw/zinc/51/14/79/1440511479.db2.gz RTJKXAFTKRFDMH-HZPDHXFCSA-N 1 2 345.462 3.414 20 30 EGEDLO C[C@@H]1CC[C@@H](CC(=O)N(C)CC[N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001753861037 1440511480 /nfs/dbraw/zinc/51/14/80/1440511480.db2.gz RTJKXAFTKRFDMH-HZPDHXFCSA-N 1 2 345.462 3.414 20 30 EGEDLO C=CCC(C)(C)C(=O)N(C)CC[N@H+](C)Cc1cc(-c2ccco2)on1 ZINC001753864508 1440513413 /nfs/dbraw/zinc/51/34/13/1440513413.db2.gz MYRAPZIQIZJWSA-UHFFFAOYSA-N 1 2 345.443 3.427 20 30 EGEDLO C=CCC(C)(C)C(=O)N(C)CC[N@@H+](C)Cc1cc(-c2ccco2)on1 ZINC001753864508 1440513414 /nfs/dbraw/zinc/51/34/14/1440513414.db2.gz MYRAPZIQIZJWSA-UHFFFAOYSA-N 1 2 345.443 3.427 20 30 EGEDLO C=CCC1(C(=O)NC/C=C/C[NH2+]Cc2cc(C(C)(C)C)on2)CCC1 ZINC001754166917 1440546654 /nfs/dbraw/zinc/54/66/54/1440546654.db2.gz TXFDYEGDEYTCKN-VOTSOKGWSA-N 1 2 345.487 3.481 20 30 EGEDLO Cc1nc(C[N@@H+](C)C[C@@H](C)NC(=O)C#CC(C)C)sc1C(C)(C)C ZINC001754309511 1440572683 /nfs/dbraw/zinc/57/26/83/1440572683.db2.gz AYTTUKNXQHGINL-CQSZACIVSA-N 1 2 349.544 3.345 20 30 EGEDLO Cc1nc(C[N@H+](C)C[C@@H](C)NC(=O)C#CC(C)C)sc1C(C)(C)C ZINC001754309511 1440572684 /nfs/dbraw/zinc/57/26/84/1440572684.db2.gz AYTTUKNXQHGINL-CQSZACIVSA-N 1 2 349.544 3.345 20 30 EGEDLO CCC(C)(CC)C(=O)N[C@@H](C)C[N@H+](C)Cc1cc(F)ccc1C#N ZINC001754334097 1440585709 /nfs/dbraw/zinc/58/57/09/1440585709.db2.gz YZECATPPBSZJOK-AWEZNQCLSA-N 1 2 333.451 3.460 20 30 EGEDLO CCC(C)(CC)C(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001754334097 1440585710 /nfs/dbraw/zinc/58/57/10/1440585710.db2.gz YZECATPPBSZJOK-AWEZNQCLSA-N 1 2 333.451 3.460 20 30 EGEDLO C=CCCCCC[N@@H+]1CC[C@@H]1CNC(=O)c1n[nH]c2ccccc21 ZINC001754499659 1440613517 /nfs/dbraw/zinc/61/35/17/1440613517.db2.gz CGSZGFZPKYNIMO-OAHLLOKOSA-N 1 2 326.444 3.113 20 30 EGEDLO C=CCCCCC[N@H+]1CC[C@@H]1CNC(=O)c1n[nH]c2ccccc21 ZINC001754499659 1440613518 /nfs/dbraw/zinc/61/35/18/1440613518.db2.gz CGSZGFZPKYNIMO-OAHLLOKOSA-N 1 2 326.444 3.113 20 30 EGEDLO C=C1CCC(C(=O)NCC2([NH2+]Cc3ncc(Cl)s3)CC2)CC1 ZINC001754524163 1440620486 /nfs/dbraw/zinc/62/04/86/1440620486.db2.gz VYTHCTUHSZFTEM-UHFFFAOYSA-N 1 2 339.892 3.281 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)/C(C)=C\CC)CC1 ZINC001754623369 1440645536 /nfs/dbraw/zinc/64/55/36/1440645536.db2.gz BWHZNMPAQWWRMX-SDQBBNPISA-N 1 2 329.282 3.222 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)/C(C)=C/CC)CC1 ZINC001754623370 1440645819 /nfs/dbraw/zinc/64/58/19/1440645819.db2.gz BWHZNMPAQWWRMX-WUXMJOGZSA-N 1 2 329.282 3.222 20 30 EGEDLO C#CCN(C(=O)C1CCCC1)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC001754634434 1440648394 /nfs/dbraw/zinc/64/83/94/1440648394.db2.gz UJGLSFKLXYOJPG-UHFFFAOYSA-N 1 2 345.512 3.068 20 30 EGEDLO C[C@@]1(NC(=O)CCCC2CC2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001754677500 1440660664 /nfs/dbraw/zinc/66/06/64/1440660664.db2.gz ICODCJQAEPDQBS-HXUWFJFHSA-N 1 2 343.446 3.358 20 30 EGEDLO C[C@@]1(NC(=O)CCCC2CC2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001754677500 1440660665 /nfs/dbraw/zinc/66/06/65/1440660665.db2.gz ICODCJQAEPDQBS-HXUWFJFHSA-N 1 2 343.446 3.358 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCC1(C)CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001754720398 1440672939 /nfs/dbraw/zinc/67/29/39/1440672939.db2.gz OAEWAAKXGPADGE-YLJYHZDGSA-N 1 2 336.520 3.234 20 30 EGEDLO CCCCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C)cc1 ZINC001754973627 1440719164 /nfs/dbraw/zinc/71/91/64/1440719164.db2.gz FRIHYOQWYCOTHU-IBGZPJMESA-N 1 2 332.488 3.396 20 30 EGEDLO CCCCCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C)cc1 ZINC001754973627 1440719165 /nfs/dbraw/zinc/71/91/65/1440719165.db2.gz FRIHYOQWYCOTHU-IBGZPJMESA-N 1 2 332.488 3.396 20 30 EGEDLO C=CC(C)(C)C(=O)N(C)CCC[N@H+](C)Cc1ncc(Cl)s1 ZINC001755041644 1440737610 /nfs/dbraw/zinc/73/76/10/1440737610.db2.gz VFXISVHLZHZYRO-UHFFFAOYSA-N 1 2 329.897 3.289 20 30 EGEDLO C=CC(C)(C)C(=O)N(C)CCC[N@@H+](C)Cc1ncc(Cl)s1 ZINC001755041644 1440737611 /nfs/dbraw/zinc/73/76/11/1440737611.db2.gz VFXISVHLZHZYRO-UHFFFAOYSA-N 1 2 329.897 3.289 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1COC2(C[NH+](Cc3ccc(C)cc3)C2)C1 ZINC001755062633 1440744551 /nfs/dbraw/zinc/74/45/51/1440744551.db2.gz BSUXISSLVMNNDX-UYAOXDASSA-N 1 2 342.483 3.057 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@H+](CC(=C)Br)CC1(C)C ZINC001755138080 1440759139 /nfs/dbraw/zinc/75/91/39/1440759139.db2.gz HUIDLOBQRAZDKD-CQSZACIVSA-N 1 2 343.309 3.468 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=C)Br)CC1(C)C ZINC001755138080 1440759140 /nfs/dbraw/zinc/75/91/40/1440759140.db2.gz HUIDLOBQRAZDKD-CQSZACIVSA-N 1 2 343.309 3.468 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)CC1(C)C ZINC001755138740 1440759371 /nfs/dbraw/zinc/75/93/71/1440759371.db2.gz OSRREARNEIXTDF-QGZVFWFLSA-N 1 2 343.471 3.072 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[N@H+](Cc2ncc(C3CC3)o2)CC1(C)C ZINC001755138740 1440759372 /nfs/dbraw/zinc/75/93/72/1440759372.db2.gz OSRREARNEIXTDF-QGZVFWFLSA-N 1 2 343.471 3.072 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2nnc(C(C)C)o2)CC1(C)C ZINC001755141020 1440760236 /nfs/dbraw/zinc/76/02/36/1440760236.db2.gz KLCNEOLZIAPBPQ-CQSZACIVSA-N 1 2 348.491 3.122 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2nnc(C(C)C)o2)CC1(C)C ZINC001755141020 1440760237 /nfs/dbraw/zinc/76/02/37/1440760237.db2.gz KLCNEOLZIAPBPQ-CQSZACIVSA-N 1 2 348.491 3.122 20 30 EGEDLO C/C=C(/C)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccccc1C#N ZINC001755185995 1440773143 /nfs/dbraw/zinc/77/31/43/1440773143.db2.gz BIHUUKCXKBJQQK-XYJKFPGVSA-N 1 2 345.446 3.396 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC001755307661 1440811581 /nfs/dbraw/zinc/81/15/81/1440811581.db2.gz KUHHJIOTYGGMGS-CYBMUJFWSA-N 1 2 336.863 3.159 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC001755307661 1440811582 /nfs/dbraw/zinc/81/15/82/1440811582.db2.gz KUHHJIOTYGGMGS-CYBMUJFWSA-N 1 2 336.863 3.159 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@]2(C1)C[N@H+](Cc1csc(C)c1)CCO2 ZINC001755402266 1440843203 /nfs/dbraw/zinc/84/32/03/1440843203.db2.gz PAIJNMGNGVMEJP-LJQANCHMSA-N 1 2 348.512 3.216 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@]2(C1)C[N@@H+](Cc1csc(C)c1)CCO2 ZINC001755402266 1440843204 /nfs/dbraw/zinc/84/32/04/1440843204.db2.gz PAIJNMGNGVMEJP-LJQANCHMSA-N 1 2 348.512 3.216 20 30 EGEDLO C=C(C)CCC(=O)N1CC2(C1)CCC[N@@H+](Cc1csc(CC)n1)C2 ZINC001755456041 1440855572 /nfs/dbraw/zinc/85/55/72/1440855572.db2.gz HVQYVOKTHQCFIZ-UHFFFAOYSA-N 1 2 347.528 3.486 20 30 EGEDLO C=C(C)CCC(=O)N1CC2(C1)CCC[N@H+](Cc1csc(CC)n1)C2 ZINC001755456041 1440855573 /nfs/dbraw/zinc/85/55/73/1440855573.db2.gz HVQYVOKTHQCFIZ-UHFFFAOYSA-N 1 2 347.528 3.486 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C[C@H](C)[NH2+][C@@H](C)c2nc(CCCC)no2)C1 ZINC001755603660 1440884842 /nfs/dbraw/zinc/88/48/42/1440884842.db2.gz GLDKMYYQLTVGRN-GJZGRUSLSA-N 1 2 348.491 3.266 20 30 EGEDLO C=CCCCC(=O)N1C[C@H]([NH2+]Cc2nc(C3CCCC3)no2)C[C@H]1C ZINC001755681387 1440895230 /nfs/dbraw/zinc/89/52/30/1440895230.db2.gz LOXOPMMWYAZFSY-GDBMZVCRSA-N 1 2 346.475 3.163 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccn(C(C)C)n2)[C@@H]1C ZINC001755724895 1440909010 /nfs/dbraw/zinc/90/90/10/1440909010.db2.gz ZIKSMIRUJAQXRR-SJLPKXTDSA-N 1 2 332.492 3.289 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccn(C(C)C)n2)[C@@H]1C ZINC001755724895 1440909011 /nfs/dbraw/zinc/90/90/11/1440909011.db2.gz ZIKSMIRUJAQXRR-SJLPKXTDSA-N 1 2 332.492 3.289 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccn(C(C)C)n2)[C@H]1C ZINC001755724896 1440909064 /nfs/dbraw/zinc/90/90/64/1440909064.db2.gz ZIKSMIRUJAQXRR-WMZOPIPTSA-N 1 2 332.492 3.289 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CCC[N@H+](Cc2ccn(C(C)C)n2)[C@H]1C ZINC001755724896 1440909065 /nfs/dbraw/zinc/90/90/65/1440909065.db2.gz ZIKSMIRUJAQXRR-WMZOPIPTSA-N 1 2 332.492 3.289 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000066561306 215054476 /nfs/dbraw/zinc/05/44/76/215054476.db2.gz XSLZEUZVKRDHSI-LBPRGKRZSA-N 1 2 334.268 3.169 20 30 EGEDLO C=CC[N@H+](Cc1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000066561306 215054479 /nfs/dbraw/zinc/05/44/79/215054479.db2.gz XSLZEUZVKRDHSI-LBPRGKRZSA-N 1 2 334.268 3.169 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+](Cc2ccccn2)C2CC2)cc1Cl ZINC000181343381 234157914 /nfs/dbraw/zinc/15/79/14/234157914.db2.gz UXANNLOVGIAOJI-UHFFFAOYSA-N 1 2 340.814 3.210 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+](Cc2ccccn2)C2CC2)cc1Cl ZINC000181343381 234157919 /nfs/dbraw/zinc/15/79/19/234157919.db2.gz UXANNLOVGIAOJI-UHFFFAOYSA-N 1 2 340.814 3.210 20 30 EGEDLO Cn1cc(C[N@@H+]2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)cc1C#N ZINC000191303150 239030070 /nfs/dbraw/zinc/03/00/70/239030070.db2.gz SOVLQDRRAAJTHV-HNNXBMFYSA-N 1 2 344.484 3.224 20 30 EGEDLO Cn1cc(C[N@H+]2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)cc1C#N ZINC000191303150 239030072 /nfs/dbraw/zinc/03/00/72/239030072.db2.gz SOVLQDRRAAJTHV-HNNXBMFYSA-N 1 2 344.484 3.224 20 30 EGEDLO C=CCOCCCC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000079701253 217248866 /nfs/dbraw/zinc/24/88/66/217248866.db2.gz CRNVELQHVDETBV-CQSZACIVSA-N 1 2 337.489 3.296 20 30 EGEDLO C=CCOCCCC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000079701253 217248869 /nfs/dbraw/zinc/24/88/69/217248869.db2.gz CRNVELQHVDETBV-CQSZACIVSA-N 1 2 337.489 3.296 20 30 EGEDLO C[C@H](c1cccc(NC(=O)c2cc(C#N)cs2)c1)[NH+]1CCOCC1 ZINC000267807438 251366212 /nfs/dbraw/zinc/36/62/12/251366212.db2.gz MHNINMQMNWVBML-CYBMUJFWSA-N 1 2 341.436 3.265 20 30 EGEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCO[C@H](c3ccccc3Cl)C2)cc1 ZINC000268620579 252074201 /nfs/dbraw/zinc/07/42/01/252074201.db2.gz AGHMAYMRULDKNJ-MOPGFXCFSA-N 1 2 342.826 3.319 20 30 EGEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCO[C@H](c3ccccc3Cl)C2)cc1 ZINC000268620579 252074205 /nfs/dbraw/zinc/07/42/05/252074205.db2.gz AGHMAYMRULDKNJ-MOPGFXCFSA-N 1 2 342.826 3.319 20 30 EGEDLO CC(C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccc(C#N)c3)c2C1 ZINC000097377798 219018971 /nfs/dbraw/zinc/01/89/71/219018971.db2.gz DJEYUGROKMLFEW-UHFFFAOYSA-N 1 2 341.436 3.083 20 30 EGEDLO CC(C)[N@H+]1Cc2cccc(NS(=O)(=O)c3cccc(C#N)c3)c2C1 ZINC000097377798 219018972 /nfs/dbraw/zinc/01/89/72/219018972.db2.gz DJEYUGROKMLFEW-UHFFFAOYSA-N 1 2 341.436 3.083 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000154841436 224314479 /nfs/dbraw/zinc/31/44/79/224314479.db2.gz ACHXLNDWBUTQPO-INIZCTEOSA-N 1 2 340.452 3.135 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000154841436 224314480 /nfs/dbraw/zinc/31/44/80/224314480.db2.gz ACHXLNDWBUTQPO-INIZCTEOSA-N 1 2 340.452 3.135 20 30 EGEDLO Cc1nsc(N2CC[NH+](Cc3cc(Cl)cs3)CC2)c1C#N ZINC000356293509 141337954 /nfs/dbraw/zinc/33/79/54/141337954.db2.gz LALSHPLNDJUKMA-UHFFFAOYSA-N 1 2 338.889 3.360 20 30 EGEDLO C[C@@H]1C[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CCS1 ZINC000171701649 144009560 /nfs/dbraw/zinc/00/95/60/144009560.db2.gz KOZXHZMIKRYGLZ-GFCCVEGCSA-N 1 2 349.525 3.264 20 30 EGEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CCS1 ZINC000171701649 144009562 /nfs/dbraw/zinc/00/95/62/144009562.db2.gz KOZXHZMIKRYGLZ-GFCCVEGCSA-N 1 2 349.525 3.264 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC000115559296 152018651 /nfs/dbraw/zinc/01/86/51/152018651.db2.gz IUIHPGQIBOAVOC-SFHVURJKSA-N 1 2 337.448 3.287 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC000115559296 152018655 /nfs/dbraw/zinc/01/86/55/152018655.db2.gz IUIHPGQIBOAVOC-SFHVURJKSA-N 1 2 337.448 3.287 20 30 EGEDLO C[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)C[C@H](c2ccsc2)O1 ZINC000120975162 152314987 /nfs/dbraw/zinc/31/49/87/152314987.db2.gz KGBRWLWFLJEDRC-KBXCAEBGSA-N 1 2 328.437 3.461 20 30 EGEDLO C[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2)C[C@H](c2ccsc2)O1 ZINC000120975162 152314989 /nfs/dbraw/zinc/31/49/89/152314989.db2.gz KGBRWLWFLJEDRC-KBXCAEBGSA-N 1 2 328.437 3.461 20 30 EGEDLO Cc1ccc2ncc(C#N)c(N3CCC([C@H](O)c4[nH]cc[nH+]4)CC3)c2c1 ZINC000368646667 157251097 /nfs/dbraw/zinc/25/10/97/157251097.db2.gz JYENQHAGARSEHT-IBGZPJMESA-N 1 2 347.422 3.088 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc[nH]2)cc1Cl ZINC000125343593 162269643 /nfs/dbraw/zinc/26/96/43/162269643.db2.gz FZJRZLILQSVTIK-INIZCTEOSA-N 1 2 328.803 3.315 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1Cl ZINC000125343593 162269645 /nfs/dbraw/zinc/26/96/45/162269645.db2.gz FZJRZLILQSVTIK-INIZCTEOSA-N 1 2 328.803 3.315 20 30 EGEDLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C#N)cc2)o1 ZINC000130892436 162383805 /nfs/dbraw/zinc/38/38/05/162383805.db2.gz NDAJXWYUOQDZNQ-KRWDZBQOSA-N 1 2 339.395 3.073 20 30 EGEDLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(C#N)cc2)o1 ZINC000130892436 162383811 /nfs/dbraw/zinc/38/38/11/162383811.db2.gz NDAJXWYUOQDZNQ-KRWDZBQOSA-N 1 2 339.395 3.073 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCCN(c2ccccc2)C1=O ZINC000345762659 164260854 /nfs/dbraw/zinc/26/08/54/164260854.db2.gz AVRCFIGEILBMBT-IBGZPJMESA-N 1 2 337.398 3.325 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCCN(c2ccccc2)C1=O ZINC000345762659 164260856 /nfs/dbraw/zinc/26/08/56/164260856.db2.gz AVRCFIGEILBMBT-IBGZPJMESA-N 1 2 337.398 3.325 20 30 EGEDLO C[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000349429884 164880752 /nfs/dbraw/zinc/88/07/52/164880752.db2.gz KQFMPTUADYKJHF-SFHVURJKSA-N 1 2 347.462 3.081 20 30 EGEDLO N#Cc1cnc2c(F)cc(F)cc2c1NCCNc1cccc[nH+]1 ZINC000352304976 165335052 /nfs/dbraw/zinc/33/50/52/165335052.db2.gz QWLZKGQVJAZPDC-UHFFFAOYSA-N 1 2 325.322 3.304 20 30 EGEDLO Cc1ncccc1C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000352355576 165359362 /nfs/dbraw/zinc/35/93/62/165359362.db2.gz CWWQHHDNPRTPQL-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO Cc1cc(CNc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)ccc1C#N ZINC000355429153 166196502 /nfs/dbraw/zinc/19/65/02/166196502.db2.gz XXCMYMFIPQXGMB-IYBDPMFKSA-N 1 2 336.439 3.487 20 30 EGEDLO Cn1cc[nH+]c1CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000356018903 166376953 /nfs/dbraw/zinc/37/69/53/166376953.db2.gz ZIFIZSNTATWJAX-UHFFFAOYSA-N 1 2 347.378 3.406 20 30 EGEDLO CCc1[nH+]c2ccccc2n1Cc1noc(-c2ccc(C#N)c(C)n2)n1 ZINC000359085111 167062685 /nfs/dbraw/zinc/06/26/85/167062685.db2.gz CMKQZDUBMLWJJN-UHFFFAOYSA-N 1 2 344.378 3.272 20 30 EGEDLO CC(C)N(C)C(=O)C1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000359842955 167247034 /nfs/dbraw/zinc/24/70/34/167247034.db2.gz IANWMYHLHAWBDE-UHFFFAOYSA-N 1 2 333.863 3.290 20 30 EGEDLO C#CC[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 ZINC000378518970 270046280 /nfs/dbraw/zinc/04/62/80/270046280.db2.gz MMGXMIKVDPFLEN-SFHVURJKSA-N 1 2 328.375 3.462 20 30 EGEDLO C#CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C1CC1 ZINC000491231852 270057784 /nfs/dbraw/zinc/05/77/84/270057784.db2.gz WLNWWINQVZGPNB-UHFFFAOYSA-N 1 2 338.455 3.128 20 30 EGEDLO C#CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C1CC1 ZINC000491231852 270057785 /nfs/dbraw/zinc/05/77/85/270057785.db2.gz WLNWWINQVZGPNB-UHFFFAOYSA-N 1 2 338.455 3.128 20 30 EGEDLO CC(C)(C)OC(=O)C1([NH2+]CCOc2cccc(C#N)c2)CCCC1 ZINC000533515870 270060644 /nfs/dbraw/zinc/06/06/44/270060644.db2.gz QPNZOFKIJDKDLK-UHFFFAOYSA-N 1 2 330.428 3.181 20 30 EGEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(c3ccccc3F)CC2)cc1 ZINC000533438576 270060877 /nfs/dbraw/zinc/06/08/77/270060877.db2.gz KPEJUFUCHKZFMO-LJQANCHMSA-N 1 2 337.398 3.103 20 30 EGEDLO CCCc1nc(C)c(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)o1 ZINC000428467512 267043356 /nfs/dbraw/zinc/04/33/56/267043356.db2.gz YWXYSXRCWZTTFS-UHFFFAOYSA-N 1 2 342.418 3.269 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)OC(C)(C)C ZINC000278914745 267052921 /nfs/dbraw/zinc/05/29/21/267052921.db2.gz WCMGIKCDLIDEOJ-MLGOLLRUSA-N 1 2 333.407 3.042 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)OC(C)(C)C ZINC000278914745 267052923 /nfs/dbraw/zinc/05/29/23/267052923.db2.gz WCMGIKCDLIDEOJ-MLGOLLRUSA-N 1 2 333.407 3.042 20 30 EGEDLO CC[C@H](C[NH2+][C@@H](C(=O)OC)c1cccc(C#N)c1)CC(F)(F)F ZINC000419316090 267212920 /nfs/dbraw/zinc/21/29/20/267212920.db2.gz KSVRVNPWMQIIFG-SMDDNHRTSA-N 1 2 328.334 3.341 20 30 EGEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425588882 267258139 /nfs/dbraw/zinc/25/81/39/267258139.db2.gz PAACCUDDPDSREH-KBPBESRZSA-N 1 2 325.416 3.238 20 30 EGEDLO Cc1c(C#N)c(N2CC[NH+](Cc3cccnc3)CC2)nc2ccccc12 ZINC000296453027 267274498 /nfs/dbraw/zinc/27/44/98/267274498.db2.gz ISYJWKKOYUDTQN-UHFFFAOYSA-N 1 2 343.434 3.132 20 30 EGEDLO N#Cc1cc(Br)ccc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000302079435 267972023 /nfs/dbraw/zinc/97/20/23/267972023.db2.gz KRDSZTWTTMZEFZ-OAHLLOKOSA-N 1 2 344.212 3.373 20 30 EGEDLO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3c(C)cc[nH+]c3C)C2)n1 ZINC000425591435 268027649 /nfs/dbraw/zinc/02/76/49/268027649.db2.gz ZCAJMLZYRRQQDT-QGZVFWFLSA-N 1 2 349.438 3.129 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)nc1 ZINC000366543244 268181484 /nfs/dbraw/zinc/18/14/84/268181484.db2.gz GIUBNCLZBSSGJA-GFCCVEGCSA-N 1 2 347.777 3.105 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)nc1 ZINC000366543244 268181486 /nfs/dbraw/zinc/18/14/86/268181486.db2.gz GIUBNCLZBSSGJA-GFCCVEGCSA-N 1 2 347.777 3.105 20 30 EGEDLO N#Cc1cc(F)ccc1CN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000351058980 279504505 /nfs/dbraw/zinc/50/45/05/279504505.db2.gz ASJGROUMLOFCEG-UHFFFAOYSA-N 1 2 332.382 3.441 20 30 EGEDLO N#Cc1csc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000255174286 308043088 /nfs/dbraw/zinc/04/30/88/308043088.db2.gz QYOPABJWNMBDMA-DAXSKMNVSA-N 1 2 337.448 3.091 20 30 EGEDLO N#Cc1ccc(/C=C/C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000492321884 311237945 /nfs/dbraw/zinc/23/79/45/311237945.db2.gz KUJPBWACMHYSNO-MDZDMXLPSA-N 1 2 328.375 3.074 20 30 EGEDLO C[C@@H]1SCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)[C@H]1C ZINC000072665671 454325195 /nfs/dbraw/zinc/32/51/95/454325195.db2.gz MFOGCGQVPGISNV-STQMWFEESA-N 1 2 335.498 3.067 20 30 EGEDLO N#Cc1cnn2cc(C[NH2+]Cc3csc(-c4ccccc4)n3)cnc12 ZINC000551218929 315145819 /nfs/dbraw/zinc/14/58/19/315145819.db2.gz JRSGZECKUNGCNJ-UHFFFAOYSA-N 1 2 346.419 3.014 20 30 EGEDLO CCc1[nH+]c2cc(CNC(=O)c3ccc(C#N)cn3)ccc2n1C1CC1 ZINC000554984097 315360619 /nfs/dbraw/zinc/36/06/19/315360619.db2.gz SNWCBTGFWJWTSE-UHFFFAOYSA-N 1 2 345.406 3.130 20 30 EGEDLO Cc1cc2ccccc2[nH+]c1N1CCN(c2cnccc2C#N)CC1 ZINC000555552018 315389774 /nfs/dbraw/zinc/38/97/74/315389774.db2.gz PQNOXPXTIHTXJR-UHFFFAOYSA-N 1 2 329.407 3.137 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CCS[C@H](C(C)C)C2)c(C#N)c1C ZINC000177355502 454855520 /nfs/dbraw/zinc/85/55/20/454855520.db2.gz BCPLUSUFDZVLQP-AWEZNQCLSA-N 1 2 337.514 3.249 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CCS[C@H](C(C)C)C2)c(C#N)c1C ZINC000177355502 454855522 /nfs/dbraw/zinc/85/55/22/454855522.db2.gz BCPLUSUFDZVLQP-AWEZNQCLSA-N 1 2 337.514 3.249 20 30 EGEDLO CC(C)c1[nH+]c2c(n1C)CCN(c1ccc(C(F)(F)F)c(C#N)n1)C2 ZINC000568016343 316710460 /nfs/dbraw/zinc/71/04/60/316710460.db2.gz PTSPOOBHLDSXIA-UHFFFAOYSA-N 1 2 349.360 3.392 20 30 EGEDLO N#Cc1c2c(cnc1N1CCC[C@@H]1c1[nH]c3c([nH+]1)CCCC3)CCC2 ZINC000568993718 316851128 /nfs/dbraw/zinc/85/11/28/316851128.db2.gz UQOKYNDEIJCCFK-GOSISDBHSA-N 1 2 333.439 3.385 20 30 EGEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(OC3CCC3)CC2)cc1Cl ZINC000570667469 317090439 /nfs/dbraw/zinc/09/04/39/317090439.db2.gz VBHISTZZYOETMR-UHFFFAOYSA-N 1 2 347.846 3.184 20 30 EGEDLO N#Cc1cnn2cc(C[NH+]3CCC(=Cc4ccccc4F)CC3)cnc12 ZINC000573371487 317475684 /nfs/dbraw/zinc/47/56/84/317475684.db2.gz DAUNHHHDRZDIEE-UHFFFAOYSA-N 1 2 347.397 3.419 20 30 EGEDLO COc1ccc(C#N)cc1C[N@@H+](C)Cc1cc(Br)cn1C ZINC000156902425 455156065 /nfs/dbraw/zinc/15/60/65/455156065.db2.gz ASGVXPCKWAZJGE-UHFFFAOYSA-N 1 2 348.244 3.300 20 30 EGEDLO C[N@H+](CC(=O)Nc1nc2ccccc2s1)Cc1cccc(C#N)c1 ZINC000171669132 323245978 /nfs/dbraw/zinc/24/59/78/323245978.db2.gz XNTLWWRXMQNWOM-UHFFFAOYSA-N 1 2 336.420 3.238 20 30 EGEDLO C[N@@H+](CC(=O)Nc1nc2ccccc2s1)Cc1cccc(C#N)c1 ZINC000171669132 323245981 /nfs/dbraw/zinc/24/59/81/323245981.db2.gz XNTLWWRXMQNWOM-UHFFFAOYSA-N 1 2 336.420 3.238 20 30 EGEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCc3c4ccccc4[nH]c3C2)c1 ZINC000179095062 323368677 /nfs/dbraw/zinc/36/86/77/323368677.db2.gz TUCNYRNXKMHLEB-UHFFFAOYSA-N 1 2 344.418 3.426 20 30 EGEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCc3c4ccccc4[nH]c3C2)c1 ZINC000179095062 323368680 /nfs/dbraw/zinc/36/86/80/323368680.db2.gz TUCNYRNXKMHLEB-UHFFFAOYSA-N 1 2 344.418 3.426 20 30 EGEDLO CC1(C)C[N@H+](Cc2ccc(Br)cc2C#N)[C@@H]2COC[C@@H]21 ZINC000384869952 324261687 /nfs/dbraw/zinc/26/16/87/324261687.db2.gz TULWIZIEDOYFEV-LSDHHAIUSA-N 1 2 335.245 3.178 20 30 EGEDLO CC1(C)C[N@@H+](Cc2ccc(Br)cc2C#N)[C@@H]2COC[C@@H]21 ZINC000384869952 324261692 /nfs/dbraw/zinc/26/16/92/324261692.db2.gz TULWIZIEDOYFEV-LSDHHAIUSA-N 1 2 335.245 3.178 20 30 EGEDLO N#Cc1ccncc1N1CC[NH+](C/C=C\c2ccc(F)cc2F)CC1 ZINC000576773045 324678887 /nfs/dbraw/zinc/67/88/87/324678887.db2.gz VEOYTUHYZDKKLW-UPHRSURJSA-N 1 2 340.377 3.067 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1N(c2ccc(C(F)(F)F)c(C#N)n2)CC1(C)C ZINC000577033531 324727884 /nfs/dbraw/zinc/72/78/84/324727884.db2.gz DJXAPMXGTUZRGW-ZDUSSCGKSA-N 1 2 335.333 3.293 20 30 EGEDLO N#Cc1cccc(C[NH+]2CCC(Oc3ncccc3F)CC2)c1F ZINC000581765607 325389240 /nfs/dbraw/zinc/38/92/40/325389240.db2.gz LHDAXCWKPBXQPN-UHFFFAOYSA-N 1 2 329.350 3.275 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000360129093 457267925 /nfs/dbraw/zinc/26/79/25/457267925.db2.gz CABDWMKJTNDKGV-ZIAGYGMSSA-N 1 2 332.753 3.489 20 30 EGEDLO Cn1c2ccccc2[nH+]c1CCCNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000157744989 455226535 /nfs/dbraw/zinc/22/65/35/455226535.db2.gz PRMBNZOQEXXEJF-UHFFFAOYSA-N 1 2 335.367 3.398 20 30 EGEDLO CCOC(=O)C(C)(C)[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000550524775 458885910 /nfs/dbraw/zinc/88/59/10/458885910.db2.gz GKQLUOVKTKEMNC-UHFFFAOYSA-N 1 2 327.346 3.330 20 30 EGEDLO CCOC(=O)C(C)(C)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000550524775 458885917 /nfs/dbraw/zinc/88/59/17/458885917.db2.gz GKQLUOVKTKEMNC-UHFFFAOYSA-N 1 2 327.346 3.330 20 30 EGEDLO COc1cccc(N2CC[NH+](Cc3cc(F)ccc3C#N)CC2)c1 ZINC000157941452 455251261 /nfs/dbraw/zinc/25/12/61/455251261.db2.gz GNPKJTZLWIYLBI-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000189974778 455263975 /nfs/dbraw/zinc/26/39/75/455263975.db2.gz ZIAHBXYKRWNFJX-FQEVSTJZSA-N 1 2 330.472 3.332 20 30 EGEDLO C=CCOc1ccccc1CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000264735241 455272065 /nfs/dbraw/zinc/27/20/65/455272065.db2.gz HOYXKKSBAXDNNR-INIZCTEOSA-N 1 2 340.427 3.064 20 30 EGEDLO C[C@]1(C#N)CCC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000612167337 460558450 /nfs/dbraw/zinc/55/84/50/460558450.db2.gz MHFUEVVQYYEURL-MLGOLLRUSA-N 1 2 343.254 3.359 20 30 EGEDLO C[C@]1(C#N)CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000612167337 460558457 /nfs/dbraw/zinc/55/84/57/460558457.db2.gz MHFUEVVQYYEURL-MLGOLLRUSA-N 1 2 343.254 3.359 20 30 EGEDLO C[C@]1(C#N)CCC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000612167335 460558680 /nfs/dbraw/zinc/55/86/80/460558680.db2.gz MHFUEVVQYYEURL-BLLLJJGKSA-N 1 2 343.254 3.359 20 30 EGEDLO C[C@]1(C#N)CCC[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000612167335 460558688 /nfs/dbraw/zinc/55/86/88/460558688.db2.gz MHFUEVVQYYEURL-BLLLJJGKSA-N 1 2 343.254 3.359 20 30 EGEDLO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000007922716 453134050 /nfs/dbraw/zinc/13/40/50/453134050.db2.gz DTPFZTMAZHCWOX-SGTLLEGYSA-N 1 2 342.468 3.098 20 30 EGEDLO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000007922716 453134060 /nfs/dbraw/zinc/13/40/60/453134060.db2.gz DTPFZTMAZHCWOX-SGTLLEGYSA-N 1 2 342.468 3.098 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000007922609 453134303 /nfs/dbraw/zinc/13/43/03/453134303.db2.gz DHNKIMHUSPRLSJ-UGSOOPFHSA-N 1 2 344.484 3.344 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000007922609 453134309 /nfs/dbraw/zinc/13/43/09/453134309.db2.gz DHNKIMHUSPRLSJ-UGSOOPFHSA-N 1 2 344.484 3.344 20 30 EGEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000010341519 453287951 /nfs/dbraw/zinc/28/79/51/453287951.db2.gz PRBOOCNZUVZAKS-UHFFFAOYSA-N 1 2 343.477 3.361 20 30 EGEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCc2sccc2C1 ZINC000010341519 453287956 /nfs/dbraw/zinc/28/79/56/453287956.db2.gz PRBOOCNZUVZAKS-UHFFFAOYSA-N 1 2 343.477 3.361 20 30 EGEDLO CN(C(=O)CSc1[nH+]cc2ccccn21)C1(C#N)CCCCC1 ZINC000024851174 453749049 /nfs/dbraw/zinc/74/90/49/453749049.db2.gz PCTKXHYZJBVSAO-UHFFFAOYSA-N 1 2 328.441 3.111 20 30 EGEDLO Cc1nn(-c2ccccc2)c(CSc2nc(N)cc(C)[nH+]2)c1C#N ZINC000027577092 453818875 /nfs/dbraw/zinc/81/88/75/453818875.db2.gz XCJYTYOVKIMDOA-UHFFFAOYSA-N 1 2 336.424 3.025 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccsc1C(=O)OC)Cc1ccccc1 ZINC000027777014 453820560 /nfs/dbraw/zinc/82/05/60/453820560.db2.gz SKAGJMTYVVSGJL-UHFFFAOYSA-N 1 2 344.436 3.161 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccsc1C(=O)OC)Cc1ccccc1 ZINC000027777014 453820561 /nfs/dbraw/zinc/82/05/61/453820561.db2.gz SKAGJMTYVVSGJL-UHFFFAOYSA-N 1 2 344.436 3.161 20 30 EGEDLO N#Cc1cccc(OCC[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1 ZINC000066849597 453879382 /nfs/dbraw/zinc/87/93/82/453879382.db2.gz QJDLIWOJTPEMND-LJQANCHMSA-N 1 2 344.361 3.289 20 30 EGEDLO N#Cc1cccc(OCC[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1 ZINC000066849597 453879385 /nfs/dbraw/zinc/87/93/85/453879385.db2.gz QJDLIWOJTPEMND-LJQANCHMSA-N 1 2 344.361 3.289 20 30 EGEDLO C[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)[N@@H+]1CCc2sccc2C1 ZINC000075533030 453901128 /nfs/dbraw/zinc/90/11/28/453901128.db2.gz ASXACPLOIGGVGU-NNLQFVHNSA-N 1 2 345.424 3.228 20 30 EGEDLO C[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)[N@H+]1CCc2sccc2C1 ZINC000075533030 453901133 /nfs/dbraw/zinc/90/11/33/453901133.db2.gz ASXACPLOIGGVGU-NNLQFVHNSA-N 1 2 345.424 3.228 20 30 EGEDLO C=C(C)CN(CC)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000054019793 453905648 /nfs/dbraw/zinc/90/56/48/453905648.db2.gz YJHUBFZYBHSTDT-QGZVFWFLSA-N 1 2 342.443 3.126 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCOc1ccccc1 ZINC000083168522 453940479 /nfs/dbraw/zinc/94/04/79/453940479.db2.gz KRZNOBUCZCDFRV-LJQANCHMSA-N 1 2 338.407 3.173 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCOc1ccccc1 ZINC000083168522 453940482 /nfs/dbraw/zinc/94/04/82/453940482.db2.gz KRZNOBUCZCDFRV-LJQANCHMSA-N 1 2 338.407 3.173 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCc1cccc(OCC)c1)Cc1cccs1 ZINC000076650754 454022003 /nfs/dbraw/zinc/02/20/03/454022003.db2.gz VEMPEBCUSLWJEK-UHFFFAOYSA-N 1 2 344.480 3.451 20 30 EGEDLO C=CC[N@H+](CC(=O)NCc1cccc(OCC)c1)Cc1cccs1 ZINC000076650754 454022005 /nfs/dbraw/zinc/02/20/05/454022005.db2.gz VEMPEBCUSLWJEK-UHFFFAOYSA-N 1 2 344.480 3.451 20 30 EGEDLO N#Cc1cccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000043329600 454056537 /nfs/dbraw/zinc/05/65/37/454056537.db2.gz COCVXLTTYLDFAZ-UHFFFAOYSA-N 1 2 331.379 3.125 20 30 EGEDLO C#Cc1cccc(NC(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)c1 ZINC000043984784 454085295 /nfs/dbraw/zinc/08/52/95/454085295.db2.gz IDWQYZKVVFYXRZ-GOSISDBHSA-N 1 2 348.381 3.452 20 30 EGEDLO C=CCOc1ccccc1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000045054193 454135545 /nfs/dbraw/zinc/13/55/45/454135545.db2.gz UJDCJWLPQBKPQT-UHFFFAOYSA-N 1 2 342.464 3.271 20 30 EGEDLO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000045753533 454177615 /nfs/dbraw/zinc/17/76/15/454177615.db2.gz IRRWCLHWITUIFK-HKUYNNGSSA-N 1 2 343.471 3.049 20 30 EGEDLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000045753533 454177616 /nfs/dbraw/zinc/17/76/16/454177616.db2.gz IRRWCLHWITUIFK-HKUYNNGSSA-N 1 2 343.471 3.049 20 30 EGEDLO Cc1ccc(C#N)cc1NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000058452982 454205736 /nfs/dbraw/zinc/20/57/36/454205736.db2.gz LDNLSPVUOVDDFL-UHFFFAOYSA-N 1 2 335.411 3.184 20 30 EGEDLO Cc1ccc(C#N)cc1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000058453477 454205981 /nfs/dbraw/zinc/20/59/81/454205981.db2.gz LUPBERXKNPEBNL-UHFFFAOYSA-N 1 2 340.452 3.278 20 30 EGEDLO CN(Cc1cccc(C#N)c1)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000078270185 454221010 /nfs/dbraw/zinc/22/10/10/454221010.db2.gz CSYXNABATPUGQB-JXMROGBWSA-N 1 2 342.402 3.416 20 30 EGEDLO COC(=O)c1ccc(C[N@H+](C)Cc2cn3ccccc3c2C#N)cc1 ZINC000078519099 454268211 /nfs/dbraw/zinc/26/82/11/454268211.db2.gz ZTXIJCMOMXNYTB-UHFFFAOYSA-N 1 2 333.391 3.230 20 30 EGEDLO COC(=O)c1ccc(C[N@@H+](C)Cc2cn3ccccc3c2C#N)cc1 ZINC000078519099 454268215 /nfs/dbraw/zinc/26/82/15/454268215.db2.gz ZTXIJCMOMXNYTB-UHFFFAOYSA-N 1 2 333.391 3.230 20 30 EGEDLO N#Cc1cc(F)ccc1NC[C@H](c1cccc(F)c1)[NH+]1CCOCC1 ZINC000078601810 454284754 /nfs/dbraw/zinc/28/47/54/454284754.db2.gz XHWBPIIWCUUTOL-LJQANCHMSA-N 1 2 343.377 3.322 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCCc1ccc(F)cc1)Cc1cccs1 ZINC000060942725 454321398 /nfs/dbraw/zinc/32/13/98/454321398.db2.gz SYXBNVUJPHNWKQ-UHFFFAOYSA-N 1 2 332.444 3.234 20 30 EGEDLO C=CC[N@H+](CC(=O)NCCc1ccc(F)cc1)Cc1cccs1 ZINC000060942725 454321402 /nfs/dbraw/zinc/32/14/02/454321402.db2.gz SYXBNVUJPHNWKQ-UHFFFAOYSA-N 1 2 332.444 3.234 20 30 EGEDLO C[C@@H]1SCC[N@H+](CC(=O)Nc2ccccc2SCC#N)[C@H]1C ZINC000072665671 454325193 /nfs/dbraw/zinc/32/51/93/454325193.db2.gz MFOGCGQVPGISNV-STQMWFEESA-N 1 2 335.498 3.067 20 30 EGEDLO N#Cc1cccc(NC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000047703730 454402443 /nfs/dbraw/zinc/40/24/43/454402443.db2.gz QRWVLTSCKFBFTB-UHFFFAOYSA-N 1 2 335.411 3.265 20 30 EGEDLO N#Cc1cc([N+](=O)[O-])ccc1NCc1ccccc1Cn1cc[nH+]c1 ZINC000073180725 454404985 /nfs/dbraw/zinc/40/49/85/454404985.db2.gz PGFIUUDYZYXKHA-UHFFFAOYSA-N 1 2 333.351 3.323 20 30 EGEDLO Cc1ccc2[nH+]c(CNC(=O)Nc3ccc(C#N)c(Cl)c3)cn2c1 ZINC000079508132 454428395 /nfs/dbraw/zinc/42/83/95/454428395.db2.gz NHGXTBOYCMJXSE-UHFFFAOYSA-N 1 2 339.786 3.490 20 30 EGEDLO N#CCSc1cccc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000079506902 454428797 /nfs/dbraw/zinc/42/87/97/454428797.db2.gz YLFQMLZLMDYPDL-UHFFFAOYSA-N 1 2 348.431 3.418 20 30 EGEDLO C[N@H+](Cc1cccc(C#N)c1)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000073615441 454458525 /nfs/dbraw/zinc/45/85/25/454458525.db2.gz RAZBQIZEHBBLOH-LJQANCHMSA-N 1 2 337.398 3.149 20 30 EGEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000073615441 454458527 /nfs/dbraw/zinc/45/85/27/454458527.db2.gz RAZBQIZEHBBLOH-LJQANCHMSA-N 1 2 337.398 3.149 20 30 EGEDLO CC[N@@H+](CC(=O)NCC1(c2ccccc2)CCCCC1)C[C@@H](C)C#N ZINC000064249189 454470432 /nfs/dbraw/zinc/47/04/32/454470432.db2.gz LCRWGYNNSQQGOP-SFHVURJKSA-N 1 2 341.499 3.486 20 30 EGEDLO CC[N@H+](CC(=O)NCC1(c2ccccc2)CCCCC1)C[C@@H](C)C#N ZINC000064249189 454470433 /nfs/dbraw/zinc/47/04/33/454470433.db2.gz LCRWGYNNSQQGOP-SFHVURJKSA-N 1 2 341.499 3.486 20 30 EGEDLO Cc1ccc2[nH+]c(COc3cccc(C(=O)N[C@@H](C)CC#N)c3)cn2c1 ZINC000064318258 454472336 /nfs/dbraw/zinc/47/23/36/454472336.db2.gz OHHLUOJOHPXDFJ-HNNXBMFYSA-N 1 2 348.406 3.254 20 30 EGEDLO C[N@H+](Cc1ccc(F)cc1C#N)Cc1ccccc1N1CCOCC1 ZINC000103139233 454540155 /nfs/dbraw/zinc/54/01/55/454540155.db2.gz MCWCYTJMPQSUBE-UHFFFAOYSA-N 1 2 339.414 3.166 20 30 EGEDLO C[N@@H+](Cc1ccc(F)cc1C#N)Cc1ccccc1N1CCOCC1 ZINC000103139233 454540160 /nfs/dbraw/zinc/54/01/60/454540160.db2.gz MCWCYTJMPQSUBE-UHFFFAOYSA-N 1 2 339.414 3.166 20 30 EGEDLO N#Cc1ccc(NCc2ccc[nH+]c2N2CCOCC2)cc1Cl ZINC000065553929 454592214 /nfs/dbraw/zinc/59/22/14/454592214.db2.gz CXPPSFMEEIAGMB-UHFFFAOYSA-N 1 2 328.803 3.055 20 30 EGEDLO Cn1c2ccccc2[nH+]c1CCCNc1c(C#N)nnc2ccccc21 ZINC000080760398 454629415 /nfs/dbraw/zinc/62/94/15/454629415.db2.gz MFHXMHAGTZOUPA-UHFFFAOYSA-N 1 2 342.406 3.433 20 30 EGEDLO C#CC[N@@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)C1CCCCC1 ZINC000065960595 454645589 /nfs/dbraw/zinc/64/55/89/454645589.db2.gz FLZYVQZCTHBOOE-UHFFFAOYSA-N 1 2 335.407 3.437 20 30 EGEDLO C#CC[N@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)C1CCCCC1 ZINC000065960595 454645594 /nfs/dbraw/zinc/64/55/94/454645594.db2.gz FLZYVQZCTHBOOE-UHFFFAOYSA-N 1 2 335.407 3.437 20 30 EGEDLO Cc1nc(C[NH+]2CCN(c3ccc4cc(C#N)ccc4n3)CC2)oc1C ZINC000092894959 454652010 /nfs/dbraw/zinc/65/20/10/454652010.db2.gz RHLADAMWUKEJDJ-UHFFFAOYSA-N 1 2 347.422 3.034 20 30 EGEDLO C[C@H]1CCN(C(=O)c2cccc(SCC#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000124192206 454704836 /nfs/dbraw/zinc/70/48/36/454704836.db2.gz SGMNFVXIGJJOMO-WMLDXEAASA-N 1 2 340.452 3.222 20 30 EGEDLO C[C@H]1CCN(C(=O)c2cccc(SCC#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000124191720 454705387 /nfs/dbraw/zinc/70/53/87/454705387.db2.gz SGMNFVXIGJJOMO-YOEHRIQHSA-N 1 2 340.452 3.222 20 30 EGEDLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2sccc2C#N)s1 ZINC000106877273 454725777 /nfs/dbraw/zinc/72/57/77/454725777.db2.gz BTNNQNJPJPOCPU-JTQLQIEISA-N 1 2 334.470 3.325 20 30 EGEDLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2sccc2C#N)s1 ZINC000106877273 454725780 /nfs/dbraw/zinc/72/57/80/454725780.db2.gz BTNNQNJPJPOCPU-JTQLQIEISA-N 1 2 334.470 3.325 20 30 EGEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000153538909 454804224 /nfs/dbraw/zinc/80/42/24/454804224.db2.gz JJVDRIRRWZMSAN-UHFFFAOYSA-N 1 2 347.422 3.482 20 30 EGEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000153538909 454804226 /nfs/dbraw/zinc/80/42/26/454804226.db2.gz JJVDRIRRWZMSAN-UHFFFAOYSA-N 1 2 347.422 3.482 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000125407420 454819971 /nfs/dbraw/zinc/81/99/71/454819971.db2.gz FSSULYBDEXHXIO-HXUWFJFHSA-N 1 2 342.483 3.253 20 30 EGEDLO N#CC1CC[NH+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)CC1 ZINC000141959593 454832949 /nfs/dbraw/zinc/83/29/49/454832949.db2.gz LLQATNLNEKXWTF-HXUWFJFHSA-N 1 2 325.456 3.270 20 30 EGEDLO Cc1sc(NC(=O)C[NH+]2CCC(C(F)(F)F)CC2)c(C#N)c1C ZINC000177352328 454855019 /nfs/dbraw/zinc/85/50/19/454855019.db2.gz PXZDOACDTZPXOL-UHFFFAOYSA-N 1 2 345.390 3.449 20 30 EGEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NC1(c2ccccc2)CCC1 ZINC000111250305 454859028 /nfs/dbraw/zinc/85/90/28/454859028.db2.gz HNPSMQHPWNZKKS-UHFFFAOYSA-N 1 2 327.472 3.444 20 30 EGEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NC1(c2ccccc2)CCC1 ZINC000111250305 454859029 /nfs/dbraw/zinc/85/90/29/454859029.db2.gz HNPSMQHPWNZKKS-UHFFFAOYSA-N 1 2 327.472 3.444 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000126306270 454884018 /nfs/dbraw/zinc/88/40/18/454884018.db2.gz FRANIOLUURODRA-MJGOQNOKSA-N 1 2 330.472 3.181 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000126306270 454884020 /nfs/dbraw/zinc/88/40/20/454884020.db2.gz FRANIOLUURODRA-MJGOQNOKSA-N 1 2 330.472 3.181 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000185067555 455494899 /nfs/dbraw/zinc/49/48/99/455494899.db2.gz QUIWTMCXLAKFGL-HNNXBMFYSA-N 1 2 330.476 3.159 20 30 EGEDLO Cc1cccc(NC(=O)N2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000170686731 454956601 /nfs/dbraw/zinc/95/66/01/454956601.db2.gz PMXPTSAHUIKIQU-UHFFFAOYSA-N 1 2 334.423 3.216 20 30 EGEDLO Cc1c(C#N)cccc1NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000178544088 454961467 /nfs/dbraw/zinc/96/14/67/454961467.db2.gz QXGGAFSAHNDICQ-MRXNPFEDSA-N 1 2 349.438 3.172 20 30 EGEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000155199369 454973762 /nfs/dbraw/zinc/97/37/62/454973762.db2.gz VTAYAGDJUZSYSL-ILXRZTDVSA-N 1 2 327.428 3.480 20 30 EGEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000155199369 454973765 /nfs/dbraw/zinc/97/37/65/454973765.db2.gz VTAYAGDJUZSYSL-ILXRZTDVSA-N 1 2 327.428 3.480 20 30 EGEDLO C=CC[N@@H+](C/C=C/c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000179526304 455054868 /nfs/dbraw/zinc/05/48/68/455054868.db2.gz VYEAXBHACUTWAE-QDLOVBKTSA-N 1 2 325.861 3.028 20 30 EGEDLO C=CC[N@H+](C/C=C/c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000179526304 455054870 /nfs/dbraw/zinc/05/48/70/455054870.db2.gz VYEAXBHACUTWAE-QDLOVBKTSA-N 1 2 325.861 3.028 20 30 EGEDLO N#Cc1ccccc1/C=C/C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000179584393 455060691 /nfs/dbraw/zinc/06/06/91/455060691.db2.gz LDJZVXMQMCNTKF-MDZDMXLPSA-N 1 2 328.375 3.074 20 30 EGEDLO COc1ccc(OC)c(C(=O)/C=C/c2[nH+]ccn2CC(F)(F)F)c1 ZINC000171536613 455075853 /nfs/dbraw/zinc/07/58/53/455075853.db2.gz KSADALMSMYSYQM-GQCTYLIASA-N 1 2 340.301 3.359 20 30 EGEDLO C=CCOc1ccccc1CNC(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000171888733 455100682 /nfs/dbraw/zinc/10/06/82/455100682.db2.gz JOJZJDLEEAKROL-UHFFFAOYSA-N 1 2 349.434 3.480 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000180125278 455136391 /nfs/dbraw/zinc/13/63/91/455136391.db2.gz GEDZGFZGCVQCOL-HNNXBMFYSA-N 1 2 334.410 3.239 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000180125278 455136395 /nfs/dbraw/zinc/13/63/95/455136395.db2.gz GEDZGFZGCVQCOL-HNNXBMFYSA-N 1 2 334.410 3.239 20 30 EGEDLO COc1ccc(C#N)cc1C[N@H+](C)Cc1cc(Br)cn1C ZINC000156902425 455156063 /nfs/dbraw/zinc/15/60/63/455156063.db2.gz ASGVXPCKWAZJGE-UHFFFAOYSA-N 1 2 348.244 3.300 20 30 EGEDLO Cc1ncc(CO)c(/C=[NH+]/CCc2nc(C(C)(C)C)cs2)c1O ZINC000264371182 455200395 /nfs/dbraw/zinc/20/03/95/455200395.db2.gz DKRVETYGJJCFFU-QGMBQPNBSA-N 1 2 333.457 3.004 20 30 EGEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C(=O)N(CC)CC)c2)CC1 ZINC000264449753 455215091 /nfs/dbraw/zinc/21/50/91/455215091.db2.gz HWPJSMSPYQKCTF-INIZCTEOSA-N 1 2 343.471 3.148 20 30 EGEDLO C=C1CC[NH+](CC(=O)N[C@@H](c2nccs2)c2ccccc2)CC1 ZINC000264455555 455217250 /nfs/dbraw/zinc/21/72/50/455217250.db2.gz JCRMTSYLUJTWOV-QGZVFWFLSA-N 1 2 327.453 3.001 20 30 EGEDLO C=CCCC[C@@H](C)NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000181427741 455333393 /nfs/dbraw/zinc/33/33/93/455333393.db2.gz LYAJEWRZQINCCU-OAHLLOKOSA-N 1 2 336.505 3.105 20 30 EGEDLO C=CCCC[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000181427741 455333395 /nfs/dbraw/zinc/33/33/95/455333395.db2.gz LYAJEWRZQINCCU-OAHLLOKOSA-N 1 2 336.505 3.105 20 30 EGEDLO N#C[C@]1(NC(=O)c2cccc(-n3cc[nH+]c3)c2)CCc2ccccc2C1 ZINC000183928513 455340607 /nfs/dbraw/zinc/34/06/07/455340607.db2.gz JNOXXAUBYCJZSS-NRFANRHFSA-N 1 2 342.402 3.053 20 30 EGEDLO CC[C@H](CC#N)[NH2+]Cc1cc(OC)ccc1OCc1ccccn1 ZINC000184081695 455352309 /nfs/dbraw/zinc/35/23/09/455352309.db2.gz OLMKTYMCHQCOOG-MRXNPFEDSA-N 1 2 325.412 3.451 20 30 EGEDLO CCOC(=O)c1nc(-c2ccccc2)oc1C[NH+]1CCC(C#N)CC1 ZINC000174133046 455362619 /nfs/dbraw/zinc/36/26/19/455362619.db2.gz KGHUGVINCAOYCA-UHFFFAOYSA-N 1 2 339.395 3.254 20 30 EGEDLO CCOC(=O)[C@H]1CCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000182261906 455475861 /nfs/dbraw/zinc/47/58/61/455475861.db2.gz JQEYKNBTIZVWQX-OAHLLOKOSA-N 1 2 325.330 3.084 20 30 EGEDLO CCOC(=O)[C@H]1CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000182261906 455475866 /nfs/dbraw/zinc/47/58/66/455475866.db2.gz JQEYKNBTIZVWQX-OAHLLOKOSA-N 1 2 325.330 3.084 20 30 EGEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000160724831 455491978 /nfs/dbraw/zinc/49/19/78/455491978.db2.gz MIXJMOIFMMSRJY-CYBMUJFWSA-N 1 2 346.427 3.294 20 30 EGEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000160724831 455491983 /nfs/dbraw/zinc/49/19/83/455491983.db2.gz MIXJMOIFMMSRJY-CYBMUJFWSA-N 1 2 346.427 3.294 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000185087254 455498754 /nfs/dbraw/zinc/49/87/54/455498754.db2.gz XTQLOPKIEDTYKY-WMLDXEAASA-N 1 2 327.428 3.237 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000185087273 455498764 /nfs/dbraw/zinc/49/87/64/455498764.db2.gz XTQLOPKIEDTYKY-RHSMWYFYSA-N 1 2 327.428 3.237 20 30 EGEDLO COC(=O)C[N@H+](CCCCC#N)Cc1cccc(Br)c1 ZINC000191613988 455503643 /nfs/dbraw/zinc/50/36/43/455503643.db2.gz IDEANBCMNQALAG-UHFFFAOYSA-N 1 2 339.233 3.118 20 30 EGEDLO COC(=O)C[N@@H+](CCCCC#N)Cc1cccc(Br)c1 ZINC000191613988 455503648 /nfs/dbraw/zinc/50/36/48/455503648.db2.gz IDEANBCMNQALAG-UHFFFAOYSA-N 1 2 339.233 3.118 20 30 EGEDLO C=CCc1cc(C[N@@H+]([C@@H](C)C(=O)OC)C2CCC2)cc(OC)c1O ZINC000191647551 455507532 /nfs/dbraw/zinc/50/75/32/455507532.db2.gz ANGBBRJWFJUEAB-ZDUSSCGKSA-N 1 2 333.428 3.045 20 30 EGEDLO C=CCc1cc(C[N@H+]([C@@H](C)C(=O)OC)C2CCC2)cc(OC)c1O ZINC000191647551 455507536 /nfs/dbraw/zinc/50/75/36/455507536.db2.gz ANGBBRJWFJUEAB-ZDUSSCGKSA-N 1 2 333.428 3.045 20 30 EGEDLO CSc1ccccc1NC(=O)C[N@H+](C)Cc1cc(C#N)cs1 ZINC000160888731 455509320 /nfs/dbraw/zinc/50/93/20/455509320.db2.gz ULUKZVDXALMOMX-UHFFFAOYSA-N 1 2 331.466 3.412 20 30 EGEDLO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000160888731 455509323 /nfs/dbraw/zinc/50/93/23/455509323.db2.gz ULUKZVDXALMOMX-UHFFFAOYSA-N 1 2 331.466 3.412 20 30 EGEDLO C=CC[N@@H+](CCOC)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000191762959 455517316 /nfs/dbraw/zinc/51/73/16/455517316.db2.gz VPDZTYSYRHRBSL-UHFFFAOYSA-N 1 2 333.413 3.353 20 30 EGEDLO C=CC[N@H+](CCOC)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000191762959 455517320 /nfs/dbraw/zinc/51/73/20/455517320.db2.gz VPDZTYSYRHRBSL-UHFFFAOYSA-N 1 2 333.413 3.353 20 30 EGEDLO C[C@@H]1CN(c2ccc(Nc3ccc(Cl)c(C#N)n3)c[nH+]2)C[C@H](C)O1 ZINC000267246026 455523616 /nfs/dbraw/zinc/52/36/16/455523616.db2.gz SWJDLKAOMOHKCV-TXEJJXNPSA-N 1 2 343.818 3.359 20 30 EGEDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000161255006 455552909 /nfs/dbraw/zinc/55/29/09/455552909.db2.gz KKPRDHZPTAVEKX-SFHVURJKSA-N 1 2 330.428 3.287 20 30 EGEDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000161255006 455552915 /nfs/dbraw/zinc/55/29/15/455552915.db2.gz KKPRDHZPTAVEKX-SFHVURJKSA-N 1 2 330.428 3.287 20 30 EGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000182668642 455564483 /nfs/dbraw/zinc/56/44/83/455564483.db2.gz YGYGPRPYCFICSB-FQEVSTJZSA-N 1 2 333.435 3.142 20 30 EGEDLO CCc1nnc(NCc2cc[nH+]c(N3CCCC3)c2)c(C#N)c1CC ZINC000268150610 455602388 /nfs/dbraw/zinc/60/23/88/455602388.db2.gz KNRYSNYBUQIPMP-UHFFFAOYSA-N 1 2 336.443 3.080 20 30 EGEDLO C[C@H]1C[N@H+](Cc2cc(F)ccc2C#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000268270720 455636886 /nfs/dbraw/zinc/63/68/86/455636886.db2.gz CFOGDCRUYHJDMG-SUMWQHHRSA-N 1 2 347.434 3.432 20 30 EGEDLO C[C@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000268270720 455636888 /nfs/dbraw/zinc/63/68/88/455636888.db2.gz CFOGDCRUYHJDMG-SUMWQHHRSA-N 1 2 347.434 3.432 20 30 EGEDLO C=CCC[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000186028397 455678927 /nfs/dbraw/zinc/67/89/27/455678927.db2.gz UYDUXAYLOJXIHY-IBGZPJMESA-N 1 2 335.451 3.480 20 30 EGEDLO Cn1c[nH+]cc1CNc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000192968188 455729004 /nfs/dbraw/zinc/72/90/04/455729004.db2.gz LLBRLZNSYZSLJD-UHFFFAOYSA-N 1 2 342.453 3.048 20 30 EGEDLO COc1cc(CN(C)[C@@H](C)CC#N)cc(C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000292681075 455730776 /nfs/dbraw/zinc/73/07/76/455730776.db2.gz RCEAUNIXZXXCJI-HOTGVXAUSA-N 1 2 328.460 3.163 20 30 EGEDLO COc1cc(CN(C)[C@@H](C)CC#N)cc(C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000292681075 455730781 /nfs/dbraw/zinc/73/07/81/455730781.db2.gz RCEAUNIXZXXCJI-HOTGVXAUSA-N 1 2 328.460 3.163 20 30 EGEDLO CC(C)(C#N)c1ccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000193057826 455739648 /nfs/dbraw/zinc/73/96/48/455739648.db2.gz RUSMCQGRJLBMIA-UHFFFAOYSA-N 1 2 349.438 3.237 20 30 EGEDLO CC(C)(C)c1cnc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)s1 ZINC000292894059 455765678 /nfs/dbraw/zinc/76/56/78/455765678.db2.gz ZJTJBBBNQKGMOA-AWEZNQCLSA-N 1 2 342.468 3.361 20 30 EGEDLO CC(C)(C)c1cnc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)s1 ZINC000292894059 455765682 /nfs/dbraw/zinc/76/56/82/455765682.db2.gz ZJTJBBBNQKGMOA-AWEZNQCLSA-N 1 2 342.468 3.361 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)c(F)c1 ZINC000186506584 455783324 /nfs/dbraw/zinc/78/33/24/455783324.db2.gz REJLENXUGADJQO-UHFFFAOYSA-N 1 2 346.352 3.459 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000193894755 455785248 /nfs/dbraw/zinc/78/52/48/455785248.db2.gz OYIVISJISUBGKT-KRWDZBQOSA-N 1 2 337.489 3.296 20 30 EGEDLO C=CCOc1ccc(CC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000294825943 455828199 /nfs/dbraw/zinc/82/81/99/455828199.db2.gz WTLRCWIDGJWSMX-QGZVFWFLSA-N 1 2 325.412 3.271 20 30 EGEDLO CC(=O)c1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1 ZINC000294900625 455831368 /nfs/dbraw/zinc/83/13/68/455831368.db2.gz IBTOWJCGDIKTCU-OAQYLSRUSA-N 1 2 333.435 3.272 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285390175 455835107 /nfs/dbraw/zinc/83/51/07/455835107.db2.gz BWGFJQLKOLVWOB-CQSZACIVSA-N 1 2 332.753 3.491 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285390175 455835111 /nfs/dbraw/zinc/83/51/11/455835111.db2.gz BWGFJQLKOLVWOB-CQSZACIVSA-N 1 2 332.753 3.491 20 30 EGEDLO N#Cc1c(C#N)c2c(nc1NCCCn1cc[nH+]c1)CCCCCC2 ZINC000280049461 455881271 /nfs/dbraw/zinc/88/12/71/455881271.db2.gz NFLKAVRMFCKKBA-UHFFFAOYSA-N 1 2 334.427 3.183 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1Cl ZINC000280229411 455922300 /nfs/dbraw/zinc/92/23/00/455922300.db2.gz JPVQDBVBLLTZAG-KDOFPFPSSA-N 1 2 337.847 3.285 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1Cl ZINC000280229411 455922303 /nfs/dbraw/zinc/92/23/03/455922303.db2.gz JPVQDBVBLLTZAG-KDOFPFPSSA-N 1 2 337.847 3.285 20 30 EGEDLO Cc1ccc2nc(NC(=O)C[NH+]3CCC(C)(C#N)CC3)sc2c1 ZINC000272588312 456004567 /nfs/dbraw/zinc/00/45/67/456004567.db2.gz PBDIEYHPSRKYCC-UHFFFAOYSA-N 1 2 328.441 3.169 20 30 EGEDLO N#Cc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)cc(N)c1[N+](=O)[O-] ZINC000286250592 456008715 /nfs/dbraw/zinc/00/87/15/456008715.db2.gz VDWQPNATKLVMSX-UHFFFAOYSA-N 1 2 338.371 3.178 20 30 EGEDLO Cc1cc(NC(=O)N(C)C[C@H](C)C#N)c[nH+]c1N1CCCC[C@@H]1C ZINC000272709682 456047843 /nfs/dbraw/zinc/04/78/43/456047843.db2.gz XHIBPPXBKKEZRW-HIFRSBDPSA-N 1 2 329.448 3.392 20 30 EGEDLO C#C[C@H](NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C(C)(C)C ZINC000288688005 456103168 /nfs/dbraw/zinc/10/31/68/456103168.db2.gz VIGXQLQBVDQFSB-WBVHZDCISA-N 1 2 342.487 3.156 20 30 EGEDLO Cc1ccc([C@H](CNc2ccc(F)cc2C#N)[NH+]2CCOCC2)cc1 ZINC000301386745 456103981 /nfs/dbraw/zinc/10/39/81/456103981.db2.gz XNBJCYNTMNULHC-FQEVSTJZSA-N 1 2 339.414 3.491 20 30 EGEDLO N#CC1(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CCCCC1 ZINC000188769097 456131185 /nfs/dbraw/zinc/13/11/85/456131185.db2.gz SQSOSBVRFIKKQN-UHFFFAOYSA-N 1 2 345.874 3.288 20 30 EGEDLO N#CC1(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CCCCC1 ZINC000188769097 456131193 /nfs/dbraw/zinc/13/11/93/456131193.db2.gz SQSOSBVRFIKKQN-UHFFFAOYSA-N 1 2 345.874 3.288 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC(F)(F)[C@H](C)C2)c(C#N)c1C ZINC000289864827 456160763 /nfs/dbraw/zinc/16/07/63/456160763.db2.gz QMWVFBZEXKNFLC-MWLCHTKSSA-N 1 2 325.359 3.072 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC(F)(F)[C@H](C)C2)c(C#N)c1C ZINC000289864827 456160768 /nfs/dbraw/zinc/16/07/68/456160768.db2.gz QMWVFBZEXKNFLC-MWLCHTKSSA-N 1 2 325.359 3.072 20 30 EGEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCc4cc(F)ccc4C3)C2=O)cc1 ZINC000352772136 456293647 /nfs/dbraw/zinc/29/36/47/456293647.db2.gz PDTUONFARWGZHH-HXUWFJFHSA-N 1 2 349.409 3.251 20 30 EGEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCc4cc(F)ccc4C3)C2=O)cc1 ZINC000352772136 456293649 /nfs/dbraw/zinc/29/36/49/456293649.db2.gz PDTUONFARWGZHH-HXUWFJFHSA-N 1 2 349.409 3.251 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000352793004 456313506 /nfs/dbraw/zinc/31/35/06/456313506.db2.gz OKWAGNUSAGDFLF-BBWFWOEESA-N 1 2 348.487 3.328 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000352793004 456313510 /nfs/dbraw/zinc/31/35/10/456313510.db2.gz OKWAGNUSAGDFLF-BBWFWOEESA-N 1 2 348.487 3.328 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)N(C)[C@H]1CCCC[C@H]1C)Cc1ccc(CO)o1 ZINC000352817709 456333254 /nfs/dbraw/zinc/33/32/54/456333254.db2.gz RNILQYSNPMQDAN-APWZRJJASA-N 1 2 348.487 3.187 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)N(C)[C@H]1CCCC[C@H]1C)Cc1ccc(CO)o1 ZINC000352817709 456333255 /nfs/dbraw/zinc/33/32/55/456333255.db2.gz RNILQYSNPMQDAN-APWZRJJASA-N 1 2 348.487 3.187 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)N[C@@H](C)c1cccs1)Cc1ccc(CO)o1 ZINC000352865633 456374390 /nfs/dbraw/zinc/37/43/90/456374390.db2.gz DCXQQZGMDUJZGW-AWEZNQCLSA-N 1 2 348.468 3.089 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)N[C@@H](C)c1cccs1)Cc1ccc(CO)o1 ZINC000352865633 456374394 /nfs/dbraw/zinc/37/43/94/456374394.db2.gz DCXQQZGMDUJZGW-AWEZNQCLSA-N 1 2 348.468 3.089 20 30 EGEDLO N#CC1(CCC[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)CCOCC1 ZINC000282003701 456387755 /nfs/dbraw/zinc/38/77/55/456387755.db2.gz NVVQQIMFMYVMQL-GOSISDBHSA-N 1 2 332.419 3.300 20 30 EGEDLO N#CC1(CCC[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)CCOCC1 ZINC000282003701 456387761 /nfs/dbraw/zinc/38/77/61/456387761.db2.gz NVVQQIMFMYVMQL-GOSISDBHSA-N 1 2 332.419 3.300 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(C(=O)OC)co1 ZINC000352904668 456403627 /nfs/dbraw/zinc/40/36/27/456403627.db2.gz VRMCJSLQLWLNBX-UHFFFAOYSA-N 1 2 331.416 3.422 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(C(=O)OC)co1 ZINC000352904668 456403632 /nfs/dbraw/zinc/40/36/32/456403632.db2.gz VRMCJSLQLWLNBX-UHFFFAOYSA-N 1 2 331.416 3.422 20 30 EGEDLO C=C(C)[C@@H](CC(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C)OCC ZINC000298257945 456407073 /nfs/dbraw/zinc/40/70/73/456407073.db2.gz FYRXWWGFFMOKJY-GOSISDBHSA-N 1 2 341.455 3.438 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000352921959 456415548 /nfs/dbraw/zinc/41/55/48/456415548.db2.gz MQRPZSUKBNHEBZ-HNNXBMFYSA-N 1 2 329.448 3.407 20 30 EGEDLO N#Cc1ccc(Cl)c(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000343346299 456546631 /nfs/dbraw/zinc/54/66/31/456546631.db2.gz IGXJGBKBYBTXDD-UHFFFAOYSA-N 1 2 337.770 3.104 20 30 EGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000340593517 456555080 /nfs/dbraw/zinc/55/50/80/456555080.db2.gz CJEUXMQCVZAZED-GFCCVEGCSA-N 1 2 338.436 3.344 20 30 EGEDLO Cc1noc(C)c1C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348307868 456612302 /nfs/dbraw/zinc/61/23/02/456612302.db2.gz QNTYWWGYDPCTGY-SFHVURJKSA-N 1 2 344.846 3.327 20 30 EGEDLO Cc1ncc(CO)c(/C=[NH+]/C[C@H]2CCCO[C@@H]2c2ccccc2)c1O ZINC000299204487 456631643 /nfs/dbraw/zinc/63/16/43/456631643.db2.gz CCOHIQOSOZVTPU-RHEARINISA-N 1 2 340.423 3.175 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000337982783 456638235 /nfs/dbraw/zinc/63/82/35/456638235.db2.gz WQMSUAGDNMPBER-UHFFFAOYSA-N 1 2 334.423 3.182 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000299290551 456650001 /nfs/dbraw/zinc/65/00/01/456650001.db2.gz GGXMITDZHXJEPY-BBRMVZONSA-N 1 2 347.846 3.260 20 30 EGEDLO C=CC[C@@H](CC)NC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000348410172 456672161 /nfs/dbraw/zinc/67/21/61/456672161.db2.gz PSTYEBBCHNXSCT-RTBURBONSA-N 1 2 345.487 3.022 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)[C@@]1(C)CCC(=O)NC1)C2 ZINC000328637335 456725194 /nfs/dbraw/zinc/72/51/94/456725194.db2.gz CUAUEOOXIPLPDL-XIKOKIGWSA-N 1 2 332.448 3.209 20 30 EGEDLO O=C(NC[C@H]1CCc2[nH+]ccn2C1)N1CCC(CC(F)(F)F)CC1 ZINC000328890438 456785178 /nfs/dbraw/zinc/78/51/78/456785178.db2.gz RQVUKFAAGOMJIU-CYBMUJFWSA-N 1 2 344.381 3.024 20 30 EGEDLO COC[C@@H]1C[N@H+](CC(=O)NC2(c3ccccc3)CCC2)CC(C)(C)O1 ZINC000328893789 456786281 /nfs/dbraw/zinc/78/62/81/456786281.db2.gz ALANEBBHSUCNSZ-KRWDZBQOSA-N 1 2 346.471 3.148 20 30 EGEDLO COC[C@@H]1C[N@@H+](CC(=O)NC2(c3ccccc3)CCC2)CC(C)(C)O1 ZINC000328893789 456786285 /nfs/dbraw/zinc/78/62/85/456786285.db2.gz ALANEBBHSUCNSZ-KRWDZBQOSA-N 1 2 346.471 3.148 20 30 EGEDLO Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000328934370 456794894 /nfs/dbraw/zinc/79/48/94/456794894.db2.gz PZBCYROAAHVSQM-IXDOHACOSA-N 1 2 348.491 3.164 20 30 EGEDLO N#Cc1cc(F)c(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(F)c1 ZINC000301096965 456795519 /nfs/dbraw/zinc/79/55/19/456795519.db2.gz JDFNNKKXVQHNRD-INIZCTEOSA-N 1 2 343.377 3.149 20 30 EGEDLO N#Cc1cc(F)c(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(F)c1 ZINC000301096965 456795526 /nfs/dbraw/zinc/79/55/26/456795526.db2.gz JDFNNKKXVQHNRD-INIZCTEOSA-N 1 2 343.377 3.149 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)OCC ZINC000341244932 456827094 /nfs/dbraw/zinc/82/70/94/456827094.db2.gz YBMACSUNSLHEOW-GOSISDBHSA-N 1 2 333.476 3.273 20 30 EGEDLO Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000329071412 456828797 /nfs/dbraw/zinc/82/87/97/456828797.db2.gz NUKSREGOQJVJIZ-QFBILLFUSA-N 1 2 332.444 3.161 20 30 EGEDLO Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000329071412 456828802 /nfs/dbraw/zinc/82/88/02/456828802.db2.gz NUKSREGOQJVJIZ-QFBILLFUSA-N 1 2 332.444 3.161 20 30 EGEDLO Cc1cc(Cl)c2ncc(C#N)c(NCC[N@H+]3CCOC[C@H]3C)c2c1 ZINC000338488136 456830889 /nfs/dbraw/zinc/83/08/89/456830889.db2.gz VRWICWQLLOBJFG-CYBMUJFWSA-N 1 2 344.846 3.201 20 30 EGEDLO Cc1cc(Cl)c2ncc(C#N)c(NCC[N@@H+]3CCOC[C@H]3C)c2c1 ZINC000338488136 456830892 /nfs/dbraw/zinc/83/08/92/456830892.db2.gz VRWICWQLLOBJFG-CYBMUJFWSA-N 1 2 344.846 3.201 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)CCc1ccncc1)C2 ZINC000329096923 456833735 /nfs/dbraw/zinc/83/37/35/456833735.db2.gz LJRFFGPIIHCKLF-HNNXBMFYSA-N 1 2 326.444 3.480 20 30 EGEDLO Cc1nc(CC(N)=[NH+]OC[C@H](OC(C)C)c2ccccc2)cs1 ZINC000292075709 456848272 /nfs/dbraw/zinc/84/82/72/456848272.db2.gz LWYVRBWTXKWJGM-INIZCTEOSA-N 1 2 333.457 3.449 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1cc(C3CC3)on1)C2 ZINC000329384396 456883300 /nfs/dbraw/zinc/88/33/00/456883300.db2.gz PIQKOCXFJFUOKN-LBPRGKRZSA-N 1 2 328.416 3.366 20 30 EGEDLO C=CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)c1nc2c(s1)CCCC2 ZINC000329423808 456888280 /nfs/dbraw/zinc/88/82/80/456888280.db2.gz GDUDCGZRGYONLM-ZDUSSCGKSA-N 1 2 342.468 3.000 20 30 EGEDLO Cc1nc(C2(NC(=O)[C@H]3CCn4c[nH+]cc4C3)CCCCCC2)no1 ZINC000329476628 456896610 /nfs/dbraw/zinc/89/66/10/456896610.db2.gz PNSOSCLCGFPBRB-AWEZNQCLSA-N 1 2 343.431 3.343 20 30 EGEDLO [O-]C(N[C@H]1CCc2[nH]c[nH+]c2C1)=[NH+]c1nc2c(s1)CCCCCC2 ZINC000329522017 456904385 /nfs/dbraw/zinc/90/43/85/456904385.db2.gz PELVTGBKOARHTB-NSHDSACASA-N 1 2 345.472 3.409 20 30 EGEDLO [O-]C(N[C@H]1CCc2[nH+]c[nH]c2C1)=[NH+]c1nc2c(s1)CCCCCC2 ZINC000329522017 456904389 /nfs/dbraw/zinc/90/43/89/456904389.db2.gz PELVTGBKOARHTB-NSHDSACASA-N 1 2 345.472 3.409 20 30 EGEDLO CC(C)O[C@@H]1C[C@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1(C)C ZINC000329526049 456904558 /nfs/dbraw/zinc/90/45/58/456904558.db2.gz SWNUFHHVPRBXGK-YESZJQIVSA-N 1 2 338.492 3.178 20 30 EGEDLO CC(C)O[C@@H]1C[C@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1(C)C ZINC000329526049 456904563 /nfs/dbraw/zinc/90/45/63/456904563.db2.gz SWNUFHHVPRBXGK-YESZJQIVSA-N 1 2 338.492 3.178 20 30 EGEDLO Cc1cccc2[nH+]c(CNC(=O)N[C@@H](C)c3ccc(C#N)cc3)cn21 ZINC000345088460 456921478 /nfs/dbraw/zinc/92/14/78/456921478.db2.gz FDVQPQGDFXVFET-AWEZNQCLSA-N 1 2 333.395 3.075 20 30 EGEDLO C[C@@H]([NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccon1 ZINC000349249032 456923573 /nfs/dbraw/zinc/92/35/73/456923573.db2.gz WOSKXXSHNFRYKV-QWHCGFSZSA-N 1 2 344.440 3.358 20 30 EGEDLO C[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccon1 ZINC000349254656 456925337 /nfs/dbraw/zinc/92/53/37/456925337.db2.gz ZYJBWZRRGBQNIR-QWHCGFSZSA-N 1 2 344.440 3.216 20 30 EGEDLO C[C@@H]1CCN(C([O-])=[NH+]C2CC(C(F)(F)F)C2)C[C@H]1n1cc[nH+]c1 ZINC000329712912 456931018 /nfs/dbraw/zinc/93/10/18/456931018.db2.gz QSQZFGIAHOSSTD-IKWCTNDRSA-N 1 2 330.354 3.021 20 30 EGEDLO Cn1cc2c(n1)CCC[C@@H]2C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000329847791 456950053 /nfs/dbraw/zinc/95/00/53/456950053.db2.gz RDLOMVCFWZTBPY-ZDUSSCGKSA-N 1 2 343.818 3.298 20 30 EGEDLO Cc1cccc(C)c1NC(=O)C[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330100524 456984480 /nfs/dbraw/zinc/98/44/80/456984480.db2.gz DXCPLBSNZDBSDJ-QFBILLFUSA-N 1 2 332.444 3.161 20 30 EGEDLO Cc1cccc(C)c1NC(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330100524 456984483 /nfs/dbraw/zinc/98/44/83/456984483.db2.gz DXCPLBSNZDBSDJ-QFBILLFUSA-N 1 2 332.444 3.161 20 30 EGEDLO Cc1ccc([C@H](C)NC(=O)C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)cc1C ZINC000330104502 456985534 /nfs/dbraw/zinc/98/55/34/456985534.db2.gz HANSGMBLNXNTBT-ZWOKBUDYSA-N 1 2 346.471 3.201 20 30 EGEDLO Cc1ccc([C@H](C)NC(=O)C[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)cc1C ZINC000330104502 456985538 /nfs/dbraw/zinc/98/55/38/456985538.db2.gz HANSGMBLNXNTBT-ZWOKBUDYSA-N 1 2 346.471 3.201 20 30 EGEDLO CC1(C)C[C@H](NC(=O)N2CCn3cc[nH+]c3C2)c2ccc(F)cc2O1 ZINC000330111408 456986393 /nfs/dbraw/zinc/98/63/93/456986393.db2.gz BAKNMJMZYAUSOJ-AWEZNQCLSA-N 1 2 344.390 3.054 20 30 EGEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000345793795 456993918 /nfs/dbraw/zinc/99/39/18/456993918.db2.gz GOBFWPBSCYGJNK-NEWSRXKRSA-N 1 2 348.450 3.315 20 30 EGEDLO O=C(N[C@H]1CCCc2sc(Cl)cc21)N1CCn2cc[nH+]c2C1 ZINC000330240212 457009904 /nfs/dbraw/zinc/00/99/04/457009904.db2.gz FBOQPLKHLMISBB-NSHDSACASA-N 1 2 336.848 3.405 20 30 EGEDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC2(C1)CCCC2 ZINC000330264468 457015236 /nfs/dbraw/zinc/01/52/36/457015236.db2.gz XZEWNMCKJQYTGA-UHFFFAOYSA-N 1 2 328.391 3.301 20 30 EGEDLO C=CCN(Cc1ccccc1F)C(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339266711 457030068 /nfs/dbraw/zinc/03/00/68/457030068.db2.gz YUMCCOOBNYWUER-HKUYNNGSSA-N 1 2 348.462 3.230 20 30 EGEDLO C=CCN(Cc1ccccc1F)C(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000339266711 457030071 /nfs/dbraw/zinc/03/00/71/457030071.db2.gz YUMCCOOBNYWUER-HKUYNNGSSA-N 1 2 348.462 3.230 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2ccc(F)cc2Br)CC1 ZINC000341968092 457030261 /nfs/dbraw/zinc/03/02/61/457030261.db2.gz AGQLRLCBOOQAMR-UHFFFAOYSA-N 1 2 341.224 3.340 20 30 EGEDLO Cc1sc(NC(=O)C[NH+]2CCC(C(F)F)CC2)c(C#N)c1C ZINC000362727985 457065461 /nfs/dbraw/zinc/06/54/61/457065461.db2.gz KACIHKKQJNCOPQ-UHFFFAOYSA-N 1 2 327.400 3.152 20 30 EGEDLO CSc1cccc(NC(=O)NCC[N@@H+]2CCOCC2(C)C)c1C ZINC000330699175 457071640 /nfs/dbraw/zinc/07/16/40/457071640.db2.gz HCKGUPFCBQKDOF-UHFFFAOYSA-N 1 2 337.489 3.154 20 30 EGEDLO CSc1cccc(NC(=O)NCC[N@H+]2CCOCC2(C)C)c1C ZINC000330699175 457071644 /nfs/dbraw/zinc/07/16/44/457071644.db2.gz HCKGUPFCBQKDOF-UHFFFAOYSA-N 1 2 337.489 3.154 20 30 EGEDLO Cn1c[nH+]cc1CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000350005105 457140046 /nfs/dbraw/zinc/14/00/46/457140046.db2.gz DMTJLYQTSBXSOX-UHFFFAOYSA-N 1 2 347.378 3.406 20 30 EGEDLO Cc1cc(C[NH+]2CCN(C(=O)CCC3CCCC3)CC2)ccc1C#N ZINC000362968156 457179399 /nfs/dbraw/zinc/17/93/99/457179399.db2.gz WEDBWKWPIIMVHZ-UHFFFAOYSA-N 1 2 339.483 3.481 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000351205070 457240437 /nfs/dbraw/zinc/24/04/37/457240437.db2.gz QXDZAIARLVDJPT-DOTOQJQBSA-N 1 2 336.501 3.008 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000351205070 457240439 /nfs/dbraw/zinc/24/04/39/457240439.db2.gz QXDZAIARLVDJPT-DOTOQJQBSA-N 1 2 336.501 3.008 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000360129093 457267919 /nfs/dbraw/zinc/26/79/19/457267919.db2.gz CABDWMKJTNDKGV-ZIAGYGMSSA-N 1 2 332.753 3.489 20 30 EGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](C)c2cccc(C#N)c2)c1C ZINC000360155965 457278888 /nfs/dbraw/zinc/27/88/88/457278888.db2.gz NZKLMERRBKLQAJ-CQSZACIVSA-N 1 2 337.423 3.341 20 30 EGEDLO N#CCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000360198580 457293764 /nfs/dbraw/zinc/29/37/64/457293764.db2.gz MCYTWYPKJBRZHA-OAHLLOKOSA-N 1 2 337.826 3.254 20 30 EGEDLO N#CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000360198580 457293768 /nfs/dbraw/zinc/29/37/68/457293768.db2.gz MCYTWYPKJBRZHA-OAHLLOKOSA-N 1 2 337.826 3.254 20 30 EGEDLO C=CCCCCNC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000351684262 457313447 /nfs/dbraw/zinc/31/34/47/457313447.db2.gz IBYDQBLJJXXRMU-UHFFFAOYSA-N 1 2 330.476 3.473 20 30 EGEDLO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000355274684 457353536 /nfs/dbraw/zinc/35/35/36/457353536.db2.gz YFUOJTMGKMVQSK-MRXNPFEDSA-N 1 2 349.434 3.048 20 30 EGEDLO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000355274684 457353540 /nfs/dbraw/zinc/35/35/40/457353540.db2.gz YFUOJTMGKMVQSK-MRXNPFEDSA-N 1 2 349.434 3.048 20 30 EGEDLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1)c1ccc(Cl)cc1 ZINC000352483256 457405001 /nfs/dbraw/zinc/40/50/01/457405001.db2.gz HWEBUVDZLKSHEB-OLZOCXBDSA-N 1 2 337.826 3.233 20 30 EGEDLO C=CCOc1ccc(CNC(=O)Cn2c(CC)[nH+]c3ccccc32)cc1 ZINC000355734791 457409802 /nfs/dbraw/zinc/40/98/02/457409802.db2.gz WGRUMQWHJQGMPJ-UHFFFAOYSA-N 1 2 349.434 3.480 20 30 EGEDLO CC1(C)C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000347574327 457519628 /nfs/dbraw/zinc/51/96/28/457519628.db2.gz BWRSULIMBUBZTD-HOTGVXAUSA-N 1 2 325.437 3.229 20 30 EGEDLO CC1(C)C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000347574327 457519635 /nfs/dbraw/zinc/51/96/35/457519635.db2.gz BWRSULIMBUBZTD-HOTGVXAUSA-N 1 2 325.437 3.229 20 30 EGEDLO COc1cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)ccc1C#N ZINC000374214284 457524759 /nfs/dbraw/zinc/52/47/59/457524759.db2.gz ZBRAOHHEFWBMED-FQEVSTJZSA-N 1 2 333.391 3.012 20 30 EGEDLO COc1cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)ccc1C#N ZINC000374214284 457524766 /nfs/dbraw/zinc/52/47/66/457524766.db2.gz ZBRAOHHEFWBMED-FQEVSTJZSA-N 1 2 333.391 3.012 20 30 EGEDLO CC[N@@H+](Cc1cc(OC)c(OCC(F)F)c(OC)c1)C[C@H](C)C#N ZINC000347614112 457550600 /nfs/dbraw/zinc/55/06/00/457550600.db2.gz PFEUUTDQHYUZHH-GFCCVEGCSA-N 1 2 342.386 3.329 20 30 EGEDLO CC[N@H+](Cc1cc(OC)c(OCC(F)F)c(OC)c1)C[C@H](C)C#N ZINC000347614112 457550601 /nfs/dbraw/zinc/55/06/01/457550601.db2.gz PFEUUTDQHYUZHH-GFCCVEGCSA-N 1 2 342.386 3.329 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000425451497 457560224 /nfs/dbraw/zinc/56/02/24/457560224.db2.gz MMICMATWRXWPAP-OAHLLOKOSA-N 1 2 337.427 3.158 20 30 EGEDLO C=CCCC1(C(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000356314392 457568966 /nfs/dbraw/zinc/56/89/66/457568966.db2.gz ZNPBUQYSCHXAQF-JKSUJKDBSA-N 1 2 348.512 3.373 20 30 EGEDLO C=CCCC1(C(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000356314392 457568974 /nfs/dbraw/zinc/56/89/74/457568974.db2.gz ZNPBUQYSCHXAQF-JKSUJKDBSA-N 1 2 348.512 3.373 20 30 EGEDLO CC(C)(C#N)c1ccc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000356380908 457595769 /nfs/dbraw/zinc/59/57/69/457595769.db2.gz CMBYEMMHSCGXRE-SFHVURJKSA-N 1 2 335.407 3.176 20 30 EGEDLO COc1cc(C#N)ccc1OCCCC(=O)Nc1c(C)cc[nH+]c1C ZINC000425583446 457605543 /nfs/dbraw/zinc/60/55/43/457605543.db2.gz AAVAKAVHQZDQJY-UHFFFAOYSA-N 1 2 339.395 3.376 20 30 EGEDLO C=CCSc1ccccc1NC(=O)CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000364720433 457679448 /nfs/dbraw/zinc/67/94/48/457679448.db2.gz CZUXJRSYYUOARF-HNNXBMFYSA-N 1 2 342.468 3.463 20 30 EGEDLO N#CC1(c2ccccc2)CC([NH2+][C@H](CO)c2c(F)cccc2F)C1 ZINC000364863376 457708645 /nfs/dbraw/zinc/70/86/45/457708645.db2.gz KHBJYLFGACVAFE-LTCLLZNKSA-N 1 2 328.362 3.212 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N1CC[NH2+][C@H](c2ccccc2Cl)C1)OCC ZINC000374866799 457723365 /nfs/dbraw/zinc/72/33/65/457723365.db2.gz AROZJGUKEZLUTE-DLBZAZTESA-N 1 2 336.863 3.184 20 30 EGEDLO CCc1c[nH+]ccc1NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000358002016 457736106 /nfs/dbraw/zinc/73/61/06/457736106.db2.gz HFYYGIHJHOJNSN-UHFFFAOYSA-N 1 2 347.374 3.362 20 30 EGEDLO CC(C)(CC#N)CNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000457645654 457777860 /nfs/dbraw/zinc/77/78/60/457777860.db2.gz GEBSJJRNHRGUNP-UHFFFAOYSA-N 1 2 343.475 3.201 20 30 EGEDLO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000366190652 457798283 /nfs/dbraw/zinc/79/82/83/457798283.db2.gz SGQUNDVSBTYSOQ-AWEZNQCLSA-N 1 2 347.340 3.016 20 30 EGEDLO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000366190652 457798288 /nfs/dbraw/zinc/79/82/88/457798288.db2.gz SGQUNDVSBTYSOQ-AWEZNQCLSA-N 1 2 347.340 3.016 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)cc1F ZINC000361689220 457821457 /nfs/dbraw/zinc/82/14/57/457821457.db2.gz IBXFDVAHFGIHCV-UHFFFAOYSA-N 1 2 332.382 3.441 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)cc1F ZINC000361689220 457821464 /nfs/dbraw/zinc/82/14/64/457821464.db2.gz IBXFDVAHFGIHCV-UHFFFAOYSA-N 1 2 332.382 3.441 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@H](O)c3cccc(Cl)c3)CCO2)c1 ZINC000371291810 457851649 /nfs/dbraw/zinc/85/16/49/457851649.db2.gz MLEYWSXKSGJCTR-RBUKOAKNSA-N 1 2 342.826 3.319 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@H](O)c3cccc(Cl)c3)CCO2)c1 ZINC000371291810 457851658 /nfs/dbraw/zinc/85/16/58/457851658.db2.gz MLEYWSXKSGJCTR-RBUKOAKNSA-N 1 2 342.826 3.319 20 30 EGEDLO C[C@@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)Cn1cc[nH+]c1 ZINC000444256053 457875299 /nfs/dbraw/zinc/87/52/99/457875299.db2.gz HSBCJKHKWDQUGQ-INIZCTEOSA-N 1 2 349.438 3.208 20 30 EGEDLO N#Cc1ccc(CN2CCc3c([nH+]cn3-c3ccccc3)C2)cc1F ZINC000361860237 457913294 /nfs/dbraw/zinc/91/32/94/457913294.db2.gz KYUJPUIDEINASH-UHFFFAOYSA-N 1 2 332.382 3.441 20 30 EGEDLO C=CC[N@H+](C[C@H]1CCCCO1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000444685436 457939424 /nfs/dbraw/zinc/93/94/24/457939424.db2.gz RPSQDWYBCMLEMN-MOPGFXCFSA-N 1 2 331.456 3.218 20 30 EGEDLO C=CC[N@@H+](C[C@H]1CCCCO1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000444685436 457939428 /nfs/dbraw/zinc/93/94/28/457939428.db2.gz RPSQDWYBCMLEMN-MOPGFXCFSA-N 1 2 331.456 3.218 20 30 EGEDLO N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cc[nH+]cc2O)cc1 ZINC000358341030 457945612 /nfs/dbraw/zinc/94/56/12/457945612.db2.gz QYAXWHQRDBPCKW-UHFFFAOYSA-N 1 2 349.321 3.264 20 30 EGEDLO COc1ccc(F)c(N2CC[NH+](Cc3cccc(C#N)c3F)CC2)c1 ZINC000361927591 457960694 /nfs/dbraw/zinc/96/06/94/457960694.db2.gz QBCZAFNPGYSSQQ-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO C=CCN1CC[C@@H](N(C)c2cc[nH+]c3c(OCCC)cccc23)C1=O ZINC000358655677 458132749 /nfs/dbraw/zinc/13/27/49/458132749.db2.gz ALEXIBJXOXIBEY-QGZVFWFLSA-N 1 2 339.439 3.247 20 30 EGEDLO Cc1ccc2[nH+]c(CNC(=O)C[C@@H](CC#N)c3ccccc3)cn2c1 ZINC000358766854 458203667 /nfs/dbraw/zinc/20/36/67/458203667.db2.gz NIIUDBOGQYBEQC-QGZVFWFLSA-N 1 2 332.407 3.347 20 30 EGEDLO C=CC[C@@H](CC)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000376126342 458205565 /nfs/dbraw/zinc/20/55/65/458205565.db2.gz CCIGNDPEWWRCTI-RHSMWYFYSA-N 1 2 342.443 3.172 20 30 EGEDLO C=CC[C@@H](CC)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000376126341 458205636 /nfs/dbraw/zinc/20/56/36/458205636.db2.gz CCIGNDPEWWRCTI-PBHICJAKSA-N 1 2 342.443 3.172 20 30 EGEDLO N#Cc1ccc(C[N@@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)cc1F ZINC000428775192 458208097 /nfs/dbraw/zinc/20/80/97/458208097.db2.gz YTLBAMJIIIXDHH-UHFFFAOYSA-N 1 2 341.361 3.100 20 30 EGEDLO N#Cc1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)cc1F ZINC000428775192 458208102 /nfs/dbraw/zinc/20/81/02/458208102.db2.gz YTLBAMJIIIXDHH-UHFFFAOYSA-N 1 2 341.361 3.100 20 30 EGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(I)cc1 ZINC000428857420 458224702 /nfs/dbraw/zinc/22/47/02/458224702.db2.gz RKCAGYZJHVVVSA-UHFFFAOYSA-N 1 2 326.181 3.193 20 30 EGEDLO C=CC[N@H+](CCC#N)Cc1ccc(I)cc1 ZINC000428857420 458224711 /nfs/dbraw/zinc/22/47/11/458224711.db2.gz RKCAGYZJHVVVSA-UHFFFAOYSA-N 1 2 326.181 3.193 20 30 EGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)NCC(C)(C)CC#N ZINC000459252791 458303326 /nfs/dbraw/zinc/30/33/26/458303326.db2.gz CTMSWBNNRUHMLP-UHFFFAOYSA-N 1 2 339.443 3.013 20 30 EGEDLO Cc1ccoc1C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000429380629 458327039 /nfs/dbraw/zinc/32/70/39/458327039.db2.gz CGOUXVMOEBLADG-OAHLLOKOSA-N 1 2 343.402 3.494 20 30 EGEDLO Cc1ccoc1C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000429380629 458327043 /nfs/dbraw/zinc/32/70/43/458327043.db2.gz CGOUXVMOEBLADG-OAHLLOKOSA-N 1 2 343.402 3.494 20 30 EGEDLO C#CCN(Cc1ccccc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000376675951 458366942 /nfs/dbraw/zinc/36/69/42/458366942.db2.gz XTNQTOLLCJFCNX-UHFFFAOYSA-N 1 2 344.418 3.217 20 30 EGEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(c2c(Cl)cccc2C#N)C1 ZINC000418952400 458377206 /nfs/dbraw/zinc/37/72/06/458377206.db2.gz SVIIWIRXIOOYAE-GOSISDBHSA-N 1 2 349.862 3.112 20 30 EGEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3Cc4cccc(F)c4C3)C2=O)cc1 ZINC000459768990 458473153 /nfs/dbraw/zinc/47/31/53/458473153.db2.gz YUUKFYFCSGKECP-IBGZPJMESA-N 1 2 335.382 3.209 20 30 EGEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3Cc4cccc(F)c4C3)C2=O)cc1 ZINC000459768990 458473159 /nfs/dbraw/zinc/47/31/59/458473159.db2.gz YUUKFYFCSGKECP-IBGZPJMESA-N 1 2 335.382 3.209 20 30 EGEDLO Cc1[nH]c(C#N)cc1C(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000451336602 458473614 /nfs/dbraw/zinc/47/36/14/458473614.db2.gz FBTOSNADSUCZPN-UHFFFAOYSA-N 1 2 347.422 3.330 20 30 EGEDLO C=C(C)COc1cc(C[N@@H+]2CCO[C@H](COC(C)C)C2)ccc1OC ZINC000373491488 458509203 /nfs/dbraw/zinc/50/92/03/458509203.db2.gz ZSOVKHGCCCPXFV-SFHVURJKSA-N 1 2 349.471 3.276 20 30 EGEDLO C=C(C)COc1cc(C[N@H+]2CCO[C@H](COC(C)C)C2)ccc1OC ZINC000373491488 458509205 /nfs/dbraw/zinc/50/92/05/458509205.db2.gz ZSOVKHGCCCPXFV-SFHVURJKSA-N 1 2 349.471 3.276 20 30 EGEDLO Cn1c2cc(F)ccc2[nH+]c1N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000431420371 458570028 /nfs/dbraw/zinc/57/00/28/458570028.db2.gz JDAYVRWJSACELL-GOSISDBHSA-N 1 2 336.370 3.162 20 30 EGEDLO Cc1cccn2cc(CNC(=O)C(C)(C)Cc3ccc(C#N)cc3)[nH+]c12 ZINC000455511831 458602209 /nfs/dbraw/zinc/60/22/09/458602209.db2.gz IGQGBTNGQAIHJW-UHFFFAOYSA-N 1 2 346.434 3.400 20 30 EGEDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)s1 ZINC000424323307 458615986 /nfs/dbraw/zinc/61/59/86/458615986.db2.gz IYGMQAUXTNLQFI-QMTHXVAHSA-N 1 2 327.409 3.139 20 30 EGEDLO COC(=O)c1cnc([C@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)s1 ZINC000424323298 458616781 /nfs/dbraw/zinc/61/67/81/458616781.db2.gz IYGMQAUXTNLQFI-HZMBPMFUSA-N 1 2 327.409 3.139 20 30 EGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000373857002 458627630 /nfs/dbraw/zinc/62/76/30/458627630.db2.gz ASXBOGRAYGSEHW-UHFFFAOYSA-N 1 2 345.406 3.189 20 30 EGEDLO COC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCc1cccc(C#N)c1 ZINC000503581958 458716198 /nfs/dbraw/zinc/71/61/98/458716198.db2.gz UDSXKWCWOXWNFL-GOSISDBHSA-N 1 2 342.826 3.128 20 30 EGEDLO C=CCC(C)(C)CNC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000432567870 458757304 /nfs/dbraw/zinc/75/73/04/458757304.db2.gz IPFWXUNXELNTSR-UHFFFAOYSA-N 1 2 333.451 3.255 20 30 EGEDLO C=C(CNC(=O)NCCNc1ccc2ccccc2[nH+]1)c1ccccc1 ZINC000512659665 458786859 /nfs/dbraw/zinc/78/68/59/458786859.db2.gz JCJHGRFJEBXNGP-UHFFFAOYSA-N 1 2 346.434 3.081 20 30 EGEDLO C=CCC[C@H](O)C[N@@H+](C)[C@@H](C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000472672035 458805892 /nfs/dbraw/zinc/80/58/92/458805892.db2.gz XYMROUASIPFRJX-SWLSCSKDSA-N 1 2 346.254 3.466 20 30 EGEDLO C=CCC[C@H](O)C[N@H+](C)[C@@H](C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000472672035 458805898 /nfs/dbraw/zinc/80/58/98/458805898.db2.gz XYMROUASIPFRJX-SWLSCSKDSA-N 1 2 346.254 3.466 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000517583025 458830597 /nfs/dbraw/zinc/83/05/97/458830597.db2.gz FVTSZFZPAOZMPK-MAUKXSAKSA-N 1 2 327.453 3.236 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000473631025 458837514 /nfs/dbraw/zinc/83/75/14/458837514.db2.gz KCHWCQIHYPKYOS-OAHLLOKOSA-N 1 2 336.233 3.315 20 30 EGEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(C#Cc2ccccc2)cc1 ZINC000548311883 458862713 /nfs/dbraw/zinc/86/27/13/458862713.db2.gz PFDGOQNTLOKFOX-HXUWFJFHSA-N 1 2 341.414 3.028 20 30 EGEDLO C=CCNC(=O)C[N@H+](Cc1ccccc1Br)C(C)(C)C ZINC000474157022 458865137 /nfs/dbraw/zinc/86/51/37/458865137.db2.gz IIKDBRAFJLDRLM-UHFFFAOYSA-N 1 2 339.277 3.352 20 30 EGEDLO C=CCNC(=O)C[N@@H+](Cc1ccccc1Br)C(C)(C)C ZINC000474157022 458865141 /nfs/dbraw/zinc/86/51/41/458865141.db2.gz IIKDBRAFJLDRLM-UHFFFAOYSA-N 1 2 339.277 3.352 20 30 EGEDLO C#CCCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccnc1 ZINC000495776323 458947853 /nfs/dbraw/zinc/94/78/53/458947853.db2.gz GFDLXWTXGIUYRK-KRWDZBQOSA-N 1 2 329.444 3.089 20 30 EGEDLO C#CCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccnc1 ZINC000495776323 458947859 /nfs/dbraw/zinc/94/78/59/458947859.db2.gz GFDLXWTXGIUYRK-KRWDZBQOSA-N 1 2 329.444 3.089 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2cccc(F)c2C#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000496006717 459034501 /nfs/dbraw/zinc/03/45/01/459034501.db2.gz NMVCDEPQIGFWIH-DYVFJYSZSA-N 1 2 347.434 3.432 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2C#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000496006717 459034506 /nfs/dbraw/zinc/03/45/06/459034506.db2.gz NMVCDEPQIGFWIH-DYVFJYSZSA-N 1 2 347.434 3.432 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(C#N)s3)[C@@H]2C1 ZINC000496055597 459051055 /nfs/dbraw/zinc/05/10/55/459051055.db2.gz YEPZSSHQHXZQIS-IUODEOHRSA-N 1 2 333.457 3.061 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)[C@@H]2C1 ZINC000496055597 459051058 /nfs/dbraw/zinc/05/10/58/459051058.db2.gz YEPZSSHQHXZQIS-IUODEOHRSA-N 1 2 333.457 3.061 20 30 EGEDLO N#CC[C@@]1(O)CC[N@H+](Cc2oc3ccccc3c2Br)C1 ZINC000594607021 459109157 /nfs/dbraw/zinc/10/91/57/459109157.db2.gz QDTVMYICLROVNP-OAHLLOKOSA-N 1 2 335.201 3.046 20 30 EGEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2oc3ccccc3c2Br)C1 ZINC000594607021 459109164 /nfs/dbraw/zinc/10/91/64/459109164.db2.gz QDTVMYICLROVNP-OAHLLOKOSA-N 1 2 335.201 3.046 20 30 EGEDLO CCc1ccc([C@H](C#N)NC(=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000558286260 459144790 /nfs/dbraw/zinc/14/47/90/459144790.db2.gz RJKQBQIMLSMCQV-SFHVURJKSA-N 1 2 332.407 3.129 20 30 EGEDLO N#C[C@H]1CC[C@@H](NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000567741533 459158259 /nfs/dbraw/zinc/15/82/59/459158259.db2.gz CTPUCVXRDJGZSB-FXECBMLZSA-N 1 2 349.438 3.103 20 30 EGEDLO Fc1ccc(C#CCN2CCc3c([nH+]cn3-c3ccccc3)C2)cc1 ZINC000481254137 459242718 /nfs/dbraw/zinc/24/27/18/459242718.db2.gz JFGCXVBVPWBYHS-UHFFFAOYSA-N 1 2 331.394 3.421 20 30 EGEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC(CCC#N)CC1)C2 ZINC000580078604 459255991 /nfs/dbraw/zinc/25/59/91/459255991.db2.gz ILLDAIWYUKLYFD-HNNXBMFYSA-N 1 2 328.460 3.180 20 30 EGEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC(CCC#N)CC1)CC2 ZINC000580078604 459255993 /nfs/dbraw/zinc/25/59/93/459255993.db2.gz ILLDAIWYUKLYFD-HNNXBMFYSA-N 1 2 328.460 3.180 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000580836823 459265525 /nfs/dbraw/zinc/26/55/25/459265525.db2.gz KQNBIDXYIOYHJA-HSMVNMDESA-N 1 2 340.254 3.057 20 30 EGEDLO N#Cc1ccc(CCN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000595290159 459267800 /nfs/dbraw/zinc/26/78/00/459267800.db2.gz IOIAFNLGRHNPRM-QPJJXVBHSA-N 1 2 331.463 3.432 20 30 EGEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1(C)C ZINC000590939933 459277090 /nfs/dbraw/zinc/27/70/90/459277090.db2.gz RPOYEONDFJBUEO-IAGOWNOFSA-N 1 2 349.438 3.072 20 30 EGEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000590946357 459279130 /nfs/dbraw/zinc/27/91/30/459279130.db2.gz IFLCGVYQMLXDLI-RHSMWYFYSA-N 1 2 337.427 3.381 20 30 EGEDLO C=CCCSCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000595444380 459304703 /nfs/dbraw/zinc/30/47/03/459304703.db2.gz YBNVLONMECWTCJ-MRXNPFEDSA-N 1 2 344.484 3.118 20 30 EGEDLO C=CCOC[C@H]([NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1)C(=O)OC ZINC000482440733 459308481 /nfs/dbraw/zinc/30/84/81/459308481.db2.gz RGXYYKOKVPKVDU-ABXWRUBCSA-N 1 2 337.382 3.077 20 30 EGEDLO CC(C)(CO)[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1cccnc1 ZINC000595498121 459324368 /nfs/dbraw/zinc/32/43/68/459324368.db2.gz BYAFZAJKCRMDPY-QGZVFWFLSA-N 1 2 329.831 3.456 20 30 EGEDLO C=C(C)[C@H](CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)OCC ZINC000535156252 459354873 /nfs/dbraw/zinc/35/48/73/459354873.db2.gz NNQMEVTZFUHRBM-ZBWUASRJSA-N 1 2 342.483 3.215 20 30 EGEDLO COC(=O)c1cccc(C[NH2+]C2(c3cccc(OC)c3)CC2)c1C#N ZINC000560473765 459354919 /nfs/dbraw/zinc/35/49/19/459354919.db2.gz NQOAKJIANQTDJY-UHFFFAOYSA-N 1 2 336.391 3.132 20 30 EGEDLO CC1(C)C[N@H+](CC#Cc2ccccc2Cl)C[C@@]2(CCCOC2)O1 ZINC000483349092 459362269 /nfs/dbraw/zinc/36/22/69/459362269.db2.gz XCLWPTOOFMBQAE-LJQANCHMSA-N 1 2 333.859 3.352 20 30 EGEDLO CC1(C)C[N@@H+](CC#Cc2ccccc2Cl)C[C@@]2(CCCOC2)O1 ZINC000483349092 459362274 /nfs/dbraw/zinc/36/22/74/459362274.db2.gz XCLWPTOOFMBQAE-LJQANCHMSA-N 1 2 333.859 3.352 20 30 EGEDLO Cc1ccc2nc(NC(=O)C[N@@H+]3CCC[C@@H](CC#N)C3)sc2c1 ZINC000595613270 459368438 /nfs/dbraw/zinc/36/84/38/459368438.db2.gz BTLMKSMXNYBXQK-ZDUSSCGKSA-N 1 2 328.441 3.169 20 30 EGEDLO Cc1ccc2nc(NC(=O)C[N@H+]3CCC[C@@H](CC#N)C3)sc2c1 ZINC000595613270 459368441 /nfs/dbraw/zinc/36/84/41/459368441.db2.gz BTLMKSMXNYBXQK-ZDUSSCGKSA-N 1 2 328.441 3.169 20 30 EGEDLO C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595616523 459369811 /nfs/dbraw/zinc/36/98/11/459369811.db2.gz RMRMBGRROZSJIE-NWDGAFQWSA-N 1 2 346.431 3.388 20 30 EGEDLO C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595616523 459369817 /nfs/dbraw/zinc/36/98/17/459369817.db2.gz RMRMBGRROZSJIE-NWDGAFQWSA-N 1 2 346.431 3.388 20 30 EGEDLO Cn1c(C[N@@H+]2CCC[C@H](CC#N)C2)nnc1-c1ccc(Cl)cc1 ZINC000595619721 459371597 /nfs/dbraw/zinc/37/15/97/459371597.db2.gz GBGPTCRPIQPWNM-CYBMUJFWSA-N 1 2 329.835 3.261 20 30 EGEDLO Cn1c(C[N@H+]2CCC[C@H](CC#N)C2)nnc1-c1ccc(Cl)cc1 ZINC000595619721 459371600 /nfs/dbraw/zinc/37/16/00/459371600.db2.gz GBGPTCRPIQPWNM-CYBMUJFWSA-N 1 2 329.835 3.261 20 30 EGEDLO C[C@@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000582730176 459418520 /nfs/dbraw/zinc/41/85/20/459418520.db2.gz KFRWMSZQDYZPSV-BLLLJJGKSA-N 1 2 341.377 3.159 20 30 EGEDLO COc1ccc([C@@H](CNC(=O)OC(C)(C)C)C[N@H+](C)CCC#N)cc1 ZINC000497200496 459483721 /nfs/dbraw/zinc/48/37/21/459483721.db2.gz DMJNVARNOXJHQO-INIZCTEOSA-N 1 2 347.459 3.149 20 30 EGEDLO COc1ccc([C@@H](CNC(=O)OC(C)(C)C)C[N@@H+](C)CCC#N)cc1 ZINC000497200496 459483724 /nfs/dbraw/zinc/48/37/24/459483724.db2.gz DMJNVARNOXJHQO-INIZCTEOSA-N 1 2 347.459 3.149 20 30 EGEDLO CC1(C)CN(C(=O)c2ccc(C#N)s2)CC[N@@H+]1Cc1ccccc1 ZINC000487309564 459529035 /nfs/dbraw/zinc/52/90/35/459529035.db2.gz OJDNVANOEDCOCU-UHFFFAOYSA-N 1 2 339.464 3.356 20 30 EGEDLO CC1(C)CN(C(=O)c2ccc(C#N)s2)CC[N@H+]1Cc1ccccc1 ZINC000487309564 459529041 /nfs/dbraw/zinc/52/90/41/459529041.db2.gz OJDNVANOEDCOCU-UHFFFAOYSA-N 1 2 339.464 3.356 20 30 EGEDLO N#CCCC1CC[NH+](CC(=O)Nc2nc3ccccc3s2)CC1 ZINC000592135544 459532907 /nfs/dbraw/zinc/53/29/07/459532907.db2.gz AQNYUEDLKGUDJV-UHFFFAOYSA-N 1 2 328.441 3.251 20 30 EGEDLO Cc1cc(C[N@@H+]2CCN(CC(F)(F)F)CC2(C)C)ccc1C#N ZINC000488140524 459539638 /nfs/dbraw/zinc/53/96/38/459539638.db2.gz OZAOMMJFNVOJHV-UHFFFAOYSA-N 1 2 325.378 3.325 20 30 EGEDLO Cc1cc(C[N@H+]2CCN(CC(F)(F)F)CC2(C)C)ccc1C#N ZINC000488140524 459539645 /nfs/dbraw/zinc/53/96/45/459539645.db2.gz OZAOMMJFNVOJHV-UHFFFAOYSA-N 1 2 325.378 3.325 20 30 EGEDLO CC(C)(C)n1ncc2c1nc(N[C@@H](CCC#N)c1ccccc1)[nH+]c2N ZINC000596172687 459548197 /nfs/dbraw/zinc/54/81/97/459548197.db2.gz XDJBAAHACHMDLU-HNNXBMFYSA-N 1 2 349.442 3.042 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000570462807 459556504 /nfs/dbraw/zinc/55/65/04/459556504.db2.gz WUMTUJYSISKLTI-KBPBESRZSA-N 1 2 330.457 3.159 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000570864127 459561829 /nfs/dbraw/zinc/56/18/29/459561829.db2.gz ONQGFOMAUBZKKD-VQTJNVASSA-N 1 2 335.451 3.368 20 30 EGEDLO C=CCC(C)(C)CNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000489912428 459572622 /nfs/dbraw/zinc/57/26/22/459572622.db2.gz VOVOQJULBFRCEU-MRXNPFEDSA-N 1 2 347.478 3.055 20 30 EGEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000572579438 459581708 /nfs/dbraw/zinc/58/17/08/459581708.db2.gz LVZLJKUKBUDRPE-RHSMWYFYSA-N 1 2 335.411 3.158 20 30 EGEDLO C#C[C@H](NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000491625121 459641216 /nfs/dbraw/zinc/64/12/16/459641216.db2.gz KAMPDGFCZBMJJL-JKSUJKDBSA-N 1 2 340.402 3.026 20 30 EGEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000491657734 459647827 /nfs/dbraw/zinc/64/78/27/459647827.db2.gz KQMXABXIXJOFIN-HNNXBMFYSA-N 1 2 339.464 3.266 20 30 EGEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000491657734 459647834 /nfs/dbraw/zinc/64/78/34/459647834.db2.gz KQMXABXIXJOFIN-HNNXBMFYSA-N 1 2 339.464 3.266 20 30 EGEDLO COc1cc(OC)c2ncc(C#N)c(N[C@H](C)c3[nH+]ccn3C)c2c1 ZINC000596544149 459671269 /nfs/dbraw/zinc/67/12/69/459671269.db2.gz ZXBZWGCRPNFZSM-LLVKDONJSA-N 1 2 337.383 3.030 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cccc(SCC)c2)n1 ZINC000491792392 459675798 /nfs/dbraw/zinc/67/57/98/459675798.db2.gz FQBKWXONRDTTJL-UHFFFAOYSA-N 1 2 343.496 3.277 20 30 EGEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cccc(SCC)c2)n1 ZINC000491792392 459675805 /nfs/dbraw/zinc/67/58/05/459675805.db2.gz FQBKWXONRDTTJL-UHFFFAOYSA-N 1 2 343.496 3.277 20 30 EGEDLO C=CCOc1ccc(/C=C/C(=O)N[C@H](CC)c2[nH]cc[nH+]2)cc1OC ZINC000492620310 459713934 /nfs/dbraw/zinc/71/39/34/459713934.db2.gz JINYGCBGRODQCN-LOWQCSRCSA-N 1 2 341.411 3.264 20 30 EGEDLO N#CC1(CC(=O)NCc2ccccc2Cn2cc[nH+]c2)CCCCC1 ZINC000596700654 459733888 /nfs/dbraw/zinc/73/38/88/459733888.db2.gz IOZWTKJWHLPXPJ-UHFFFAOYSA-N 1 2 336.439 3.412 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000563546842 459766591 /nfs/dbraw/zinc/76/65/91/459766591.db2.gz KMQQJLBLBNGXAQ-CHWSQXEVSA-N 1 2 328.441 3.479 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000563546842 459766598 /nfs/dbraw/zinc/76/65/98/459766598.db2.gz KMQQJLBLBNGXAQ-CHWSQXEVSA-N 1 2 328.441 3.479 20 30 EGEDLO CCCCOc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(Cl)c1 ZINC000565367685 459783784 /nfs/dbraw/zinc/78/37/84/459783784.db2.gz MJTMAUKWKQBSEZ-KRWDZBQOSA-N 1 2 337.851 3.093 20 30 EGEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000565607335 459786637 /nfs/dbraw/zinc/78/66/37/459786637.db2.gz OEERFNTZXXBKQD-RNCFNFMXSA-N 1 2 337.210 3.276 20 30 EGEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000565607335 459786644 /nfs/dbraw/zinc/78/66/44/459786644.db2.gz OEERFNTZXXBKQD-RNCFNFMXSA-N 1 2 337.210 3.276 20 30 EGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000597164323 459858335 /nfs/dbraw/zinc/85/83/35/459858335.db2.gz AGWOPWYWVUCBKE-BREBYQMCSA-N 1 2 349.221 3.211 20 30 EGEDLO N#CC1(CC(=O)NCCNc2ccc3ccccc3[nH+]2)CCCCC1 ZINC000597290701 459905108 /nfs/dbraw/zinc/90/51/08/459905108.db2.gz YDAYKFXJQRLIFA-UHFFFAOYSA-N 1 2 336.439 3.049 20 30 EGEDLO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1C ZINC000602481152 459959069 /nfs/dbraw/zinc/95/90/69/459959069.db2.gz FOUDOHVEVAGULB-ROUUACIJSA-N 1 2 337.423 3.083 20 30 EGEDLO COC(=O)c1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1C ZINC000602481152 459959073 /nfs/dbraw/zinc/95/90/73/459959073.db2.gz FOUDOHVEVAGULB-ROUUACIJSA-N 1 2 337.423 3.083 20 30 EGEDLO CCOc1ccc(N(CCC#N)C(=O)CCCn2cc[nH+]c2)cc1 ZINC000609413832 459959989 /nfs/dbraw/zinc/95/99/89/459959989.db2.gz SXHVGCQMYDXUNI-UHFFFAOYSA-N 1 2 326.400 3.009 20 30 EGEDLO Cc1ccc(C#N)nc1N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000589113085 460032962 /nfs/dbraw/zinc/03/29/62/460032962.db2.gz SQNPFCQWTQOFLM-UHFFFAOYSA-N 1 2 343.434 3.264 20 30 EGEDLO Cc1cc(N2CCN([C@H](C#N)c3ccccc3)CC2)nc(C(C)C)[nH+]1 ZINC000610339892 460125953 /nfs/dbraw/zinc/12/59/53/460125953.db2.gz HZVGBJJBUFUVOW-GOSISDBHSA-N 1 2 335.455 3.295 20 30 EGEDLO N#CCCCC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000589683630 460127592 /nfs/dbraw/zinc/12/75/92/460127592.db2.gz QQQJVWKNHJOMOC-UHFFFAOYSA-N 1 2 339.361 3.043 20 30 EGEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000602867474 460164699 /nfs/dbraw/zinc/16/46/99/460164699.db2.gz CLCYIQMGFKGHBD-OXJNMPFZSA-N 1 2 333.435 3.052 20 30 EGEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000602867122 460165207 /nfs/dbraw/zinc/16/52/07/460165207.db2.gz BKZQMDIAQDPILO-KGLIPLIRSA-N 1 2 343.427 3.337 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000602997586 460216460 /nfs/dbraw/zinc/21/64/60/460216460.db2.gz NGOJABSLLFLJPJ-ULQDDVLXSA-N 1 2 349.272 3.446 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000602997586 460216463 /nfs/dbraw/zinc/21/64/63/460216463.db2.gz NGOJABSLLFLJPJ-ULQDDVLXSA-N 1 2 349.272 3.446 20 30 EGEDLO CN(CCCn1cc[nH+]c1)c1c(C#N)cnc2c(F)ccc(F)c21 ZINC000610856447 460248645 /nfs/dbraw/zinc/24/86/45/460248645.db2.gz PFZPOAWFUWFVJA-UHFFFAOYSA-N 1 2 327.338 3.108 20 30 EGEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCCOC[C@H]2C)ccc1Cl ZINC000610990832 460273524 /nfs/dbraw/zinc/27/35/24/460273524.db2.gz PQVZIRFQKJEKOF-OAHLLOKOSA-N 1 2 349.862 3.006 20 30 EGEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCCOC[C@H]2C)ccc1Cl ZINC000610990832 460273527 /nfs/dbraw/zinc/27/35/27/460273527.db2.gz PQVZIRFQKJEKOF-OAHLLOKOSA-N 1 2 349.862 3.006 20 30 EGEDLO COCC[N@H+](Cc1nc2c(s1)CCC2)Cc1ccc(C#N)cc1 ZINC000611410821 460357722 /nfs/dbraw/zinc/35/77/22/460357722.db2.gz PCPXYNRVKIYWBE-UHFFFAOYSA-N 1 2 327.453 3.152 20 30 EGEDLO COCC[N@@H+](Cc1nc2c(s1)CCC2)Cc1ccc(C#N)cc1 ZINC000611410821 460357726 /nfs/dbraw/zinc/35/77/26/460357726.db2.gz PCPXYNRVKIYWBE-UHFFFAOYSA-N 1 2 327.453 3.152 20 30 EGEDLO CC(C)(C#N)C(=O)Nc1nc2c(s1)CC[N@H+](Cc1ccccc1)C2 ZINC000603961383 460364716 /nfs/dbraw/zinc/36/47/16/460364716.db2.gz WAYLRQRFGIMEHO-UHFFFAOYSA-N 1 2 340.452 3.190 20 30 EGEDLO CC(C)(C#N)C(=O)Nc1nc2c(s1)CC[N@@H+](Cc1ccccc1)C2 ZINC000603961383 460364720 /nfs/dbraw/zinc/36/47/20/460364720.db2.gz WAYLRQRFGIMEHO-UHFFFAOYSA-N 1 2 340.452 3.190 20 30 EGEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000611552456 460395642 /nfs/dbraw/zinc/39/56/42/460395642.db2.gz YRUKOPPZFFWXNX-IBGZPJMESA-N 1 2 327.378 3.347 20 30 EGEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CCCn3cc[nH+]c3)sc2C1 ZINC000604528095 460441365 /nfs/dbraw/zinc/44/13/65/460441365.db2.gz SPIQICJVRCHRIB-GFCCVEGCSA-N 1 2 328.441 3.360 20 30 EGEDLO N#Cc1c(F)cccc1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601240984 460762212 /nfs/dbraw/zinc/76/22/12/460762212.db2.gz TUUGSMDYKBCPCO-UHFFFAOYSA-N 1 2 328.416 3.258 20 30 EGEDLO C[C@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1cccc(C#N)c1 ZINC000617957493 461040373 /nfs/dbraw/zinc/04/03/73/461040373.db2.gz KIGVYDCEKPQDSL-ZDUSSCGKSA-N 1 2 325.441 3.075 20 30 EGEDLO C[C@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1cccc(C#N)c1 ZINC000617957493 461040377 /nfs/dbraw/zinc/04/03/77/461040377.db2.gz KIGVYDCEKPQDSL-ZDUSSCGKSA-N 1 2 325.441 3.075 20 30 EGEDLO C=CCOc1ccccc1C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000642671724 461548749 /nfs/dbraw/zinc/54/87/49/461548749.db2.gz SMZZQWFBOKFPOV-UHFFFAOYSA-N 1 2 339.439 3.423 20 30 EGEDLO C=C(C)C[N@@H+](CCc1nc(C)c(C(C)=O)[nH]1)Cc1cnn(C(C)C)c1 ZINC000660539119 461841881 /nfs/dbraw/zinc/84/18/81/461841881.db2.gz JTJARCCBCNSCAB-UHFFFAOYSA-N 1 2 343.475 3.319 20 30 EGEDLO C=C(C)C[N@H+](CCc1nc(C)c(C(C)=O)[nH]1)Cc1cnn(C(C)C)c1 ZINC000660539119 461841889 /nfs/dbraw/zinc/84/18/89/461841889.db2.gz JTJARCCBCNSCAB-UHFFFAOYSA-N 1 2 343.475 3.319 20 30 EGEDLO C=CCCn1cc(C[NH2+]Cc2ccc(C)cc2OCC2CC2)nn1 ZINC000657395625 462095440 /nfs/dbraw/zinc/09/54/40/462095440.db2.gz BIXDBCRKDOYPER-UHFFFAOYSA-N 1 2 326.444 3.241 20 30 EGEDLO C=CC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)[C@@H](C)COC ZINC000661243327 462167965 /nfs/dbraw/zinc/16/79/65/462167965.db2.gz JKEANHMDPUIUKW-INIZCTEOSA-N 1 2 339.439 3.261 20 30 EGEDLO C=CC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)[C@@H](C)COC ZINC000661243327 462167970 /nfs/dbraw/zinc/16/79/70/462167970.db2.gz JKEANHMDPUIUKW-INIZCTEOSA-N 1 2 339.439 3.261 20 30 EGEDLO C=CCC1(NC(=O)NCCc2cn3c(cccc3C)[nH+]2)CCCC1 ZINC000665216614 462355847 /nfs/dbraw/zinc/35/58/47/462355847.db2.gz JCEQURHPKAEROI-UHFFFAOYSA-N 1 2 326.444 3.373 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000183979592 534083748 /nfs/dbraw/zinc/08/37/48/534083748.db2.gz CRSRVNRNVKZZLB-HNNXBMFYSA-N 1 2 337.398 3.216 20 30 EGEDLO C=CCOc1ccc(C[NH+]2CCN(c3ncccn3)CC2)cc1Cl ZINC000158799151 526869745 /nfs/dbraw/zinc/86/97/45/526869745.db2.gz GAXGVJMVPJOGQL-UHFFFAOYSA-N 1 2 344.846 3.017 20 30 EGEDLO C#CCOc1cccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000130027568 527122292 /nfs/dbraw/zinc/12/22/92/527122292.db2.gz YXINXAQORYRFJJ-YJBOKZPZSA-N 1 2 338.411 3.010 20 30 EGEDLO Cc1noc([C@H]2CC[N@H+](CC(=O)Nc3ccc(C)c(Cl)c3)C2)n1 ZINC000329012295 547489703 /nfs/dbraw/zinc/48/97/03/547489703.db2.gz DYQWJPGTHPKILS-LBPRGKRZSA-N 1 2 334.807 3.417 20 30 EGEDLO Cc1noc([C@H]2CC[N@@H+](CC(=O)Nc3ccc(C)c(Cl)c3)C2)n1 ZINC000329012295 547489708 /nfs/dbraw/zinc/48/97/08/547489708.db2.gz DYQWJPGTHPKILS-LBPRGKRZSA-N 1 2 334.807 3.417 20 30 EGEDLO CCc1ccc([C@H](C)NC(=O)C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cc1 ZINC000330160408 547514813 /nfs/dbraw/zinc/51/48/13/547514813.db2.gz RYSCPJWXAZGWPH-TWOQFEAHSA-N 1 2 346.471 3.146 20 30 EGEDLO CCc1ccc([C@H](C)NC(=O)C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cc1 ZINC000330160408 547514818 /nfs/dbraw/zinc/51/48/18/547514818.db2.gz RYSCPJWXAZGWPH-TWOQFEAHSA-N 1 2 346.471 3.146 20 30 EGEDLO CN(C(=O)C[N@H+](C)CC#Cc1cccc(Cl)c1)C1CCCCC1 ZINC000676557261 549109663 /nfs/dbraw/zinc/10/96/63/549109663.db2.gz OVLQFARFIQJNGH-UHFFFAOYSA-N 1 2 332.875 3.414 20 30 EGEDLO CN(C(=O)C[N@@H+](C)CC#Cc1cccc(Cl)c1)C1CCCCC1 ZINC000676557261 549109669 /nfs/dbraw/zinc/10/96/69/549109669.db2.gz OVLQFARFIQJNGH-UHFFFAOYSA-N 1 2 332.875 3.414 20 30 EGEDLO C=CC[N@H+](CN1C(=O)N[C@](C)(c2ccc(Cl)s2)C1=O)C(C)C ZINC000727420320 574666265 /nfs/dbraw/zinc/66/62/65/574666265.db2.gz KORZESOUKTXELC-OAHLLOKOSA-N 1 2 341.864 3.022 20 30 EGEDLO C=CC[N@@H+](CN1C(=O)N[C@](C)(c2ccc(Cl)s2)C1=O)C(C)C ZINC000727420320 574666267 /nfs/dbraw/zinc/66/62/67/574666267.db2.gz KORZESOUKTXELC-OAHLLOKOSA-N 1 2 341.864 3.022 20 30 EGEDLO C#Cc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cn1 ZINC000728861752 574779743 /nfs/dbraw/zinc/77/97/43/574779743.db2.gz NQNSXKSJCNNJQN-CYBMUJFWSA-N 1 2 340.452 3.004 20 30 EGEDLO C#Cc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cn1 ZINC000728861752 574779745 /nfs/dbraw/zinc/77/97/45/574779745.db2.gz NQNSXKSJCNNJQN-CYBMUJFWSA-N 1 2 340.452 3.004 20 30 EGEDLO C#CCOc1cccc(OC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000730498706 574994520 /nfs/dbraw/zinc/99/45/20/574994520.db2.gz XMSYYKXFFASVLA-UHFFFAOYSA-N 1 2 332.359 3.163 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000732209273 575244830 /nfs/dbraw/zinc/24/48/30/575244830.db2.gz JMTDJIPKMTXAOY-HLIPFELVSA-N 1 2 330.472 3.262 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000732209273 575244832 /nfs/dbraw/zinc/24/48/32/575244832.db2.gz JMTDJIPKMTXAOY-HLIPFELVSA-N 1 2 330.472 3.262 20 30 EGEDLO COc1ccc(CCN[NH+]=Cc2ccc(N3CCCCC3)o2)cc1 ZINC000737439754 576229283 /nfs/dbraw/zinc/22/92/83/576229283.db2.gz GLKUQQFPXXCOBX-UHFFFAOYSA-N 1 2 327.428 3.445 20 30 EGEDLO C=CC[N@@H+](CCc1ccccc1)CN1C(=O)N[C@](CC)(C(C)C)C1=O ZINC000738030124 576281529 /nfs/dbraw/zinc/28/15/29/576281529.db2.gz OGKRJHMAFIICPP-HXUWFJFHSA-N 1 2 343.471 3.031 20 30 EGEDLO C=CC[N@H+](CCc1ccccc1)CN1C(=O)N[C@](CC)(C(C)C)C1=O ZINC000738030124 576281533 /nfs/dbraw/zinc/28/15/33/576281533.db2.gz OGKRJHMAFIICPP-HXUWFJFHSA-N 1 2 343.471 3.031 20 30 EGEDLO CC(C)(C)OC(=O)C1([NH2+]Cc2ccc(OCC#N)cc2)CCCC1 ZINC000740878442 576632892 /nfs/dbraw/zinc/63/28/92/576632892.db2.gz FTTIITSUOZWVIM-UHFFFAOYSA-N 1 2 330.428 3.333 20 30 EGEDLO CC(=[NH+]Nc1ccc(C#N)cc1)c1c(F)cccc1N1CCOCC1 ZINC000741163091 576662526 /nfs/dbraw/zinc/66/25/26/576662526.db2.gz MVFNOXZJDCMSNG-UHFFFAOYSA-N 1 2 338.386 3.370 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2C[C@@H](C)C[C@H]2c2cccc(F)c2)c1=S ZINC000742173560 576755162 /nfs/dbraw/zinc/75/51/62/576755162.db2.gz RBQNFCPAFTYIBG-WFASDCNBSA-N 1 2 333.436 3.175 20 30 EGEDLO C=CCn1nnn(C[N@H+]2C[C@@H](C)C[C@H]2c2cccc(F)c2)c1=S ZINC000742173560 576755164 /nfs/dbraw/zinc/75/51/64/576755164.db2.gz RBQNFCPAFTYIBG-WFASDCNBSA-N 1 2 333.436 3.175 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+]2CCC(C)(C)C2)c1=S ZINC000743389933 576808058 /nfs/dbraw/zinc/80/80/58/576808058.db2.gz FAHVFXIRVUQUNQ-UHFFFAOYSA-N 1 2 329.473 3.351 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+]2CCC(C)(C)C2)c1=S ZINC000743389933 576808059 /nfs/dbraw/zinc/80/80/59/576808059.db2.gz FAHVFXIRVUQUNQ-UHFFFAOYSA-N 1 2 329.473 3.351 20 30 EGEDLO C#CC[N@@H+](Cn1nc(-c2ccncc2)oc1=S)C1CCCCC1 ZINC000744153749 576821596 /nfs/dbraw/zinc/82/15/96/576821596.db2.gz FDSVFHNVIFABPM-UHFFFAOYSA-N 1 2 328.441 3.493 20 30 EGEDLO C#CC[N@H+](Cn1nc(-c2ccncc2)oc1=S)C1CCCCC1 ZINC000744153749 576821597 /nfs/dbraw/zinc/82/15/97/576821597.db2.gz FDSVFHNVIFABPM-UHFFFAOYSA-N 1 2 328.441 3.493 20 30 EGEDLO C#CC[N@@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)Cc1ccc(F)cc1 ZINC000744211273 576823201 /nfs/dbraw/zinc/82/32/01/576823201.db2.gz IZCDANPLNKGXKQ-JTDSTZFVSA-N 1 2 330.447 3.202 20 30 EGEDLO C#CC[N@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)Cc1ccc(F)cc1 ZINC000744211273 576823202 /nfs/dbraw/zinc/82/32/02/576823202.db2.gz IZCDANPLNKGXKQ-JTDSTZFVSA-N 1 2 330.447 3.202 20 30 EGEDLO C#CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)Cc1ccc(F)cc1 ZINC000744211248 576823208 /nfs/dbraw/zinc/82/32/08/576823208.db2.gz GRQSLKNJGSFJCK-KRWDZBQOSA-N 1 2 338.426 3.481 20 30 EGEDLO C#CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)Cc1ccc(F)cc1 ZINC000744211248 576823209 /nfs/dbraw/zinc/82/32/09/576823209.db2.gz GRQSLKNJGSFJCK-KRWDZBQOSA-N 1 2 338.426 3.481 20 30 EGEDLO Brc1cc(N[NH+]=Cc2ccc(N3CCCC3)nc2)ccn1 ZINC000769811825 1303178814 /nfs/dbraw/zinc/17/88/14/1303178814.db2.gz BWEVWLWSWNXHBA-UHFFFAOYSA-N 1 2 346.232 3.285 20 30 EGEDLO C[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000089964427 1292780846 /nfs/dbraw/zinc/78/08/46/1292780846.db2.gz JZKAHYLQINAAFR-YOEHRIQHSA-N 1 2 344.418 3.186 20 30 EGEDLO C[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2[nH]1)[N@H+]1CCc2ccccc2C1 ZINC000089964427 1292780854 /nfs/dbraw/zinc/78/08/54/1292780854.db2.gz JZKAHYLQINAAFR-YOEHRIQHSA-N 1 2 344.418 3.186 20 30 EGEDLO CCCCCCCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000831798766 1292920231 /nfs/dbraw/zinc/92/02/31/1292920231.db2.gz RHGOQXJPNNZPHP-IBGZPJMESA-N 1 2 332.488 3.364 20 30 EGEDLO CCCCCCCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000831798766 1292920242 /nfs/dbraw/zinc/92/02/42/1292920242.db2.gz RHGOQXJPNNZPHP-IBGZPJMESA-N 1 2 332.488 3.364 20 30 EGEDLO CC(=O)Nc1cccc(CO[NH+]=C(N)Cc2ccccc2Cl)c1 ZINC000101540771 1292966954 /nfs/dbraw/zinc/96/69/54/1292966954.db2.gz PZSOWRPWGUESFT-UHFFFAOYSA-N 1 2 331.803 3.330 20 30 EGEDLO Fc1cccc(Cl)c1C[NH+]1CCC(N=Nc2ccncn2)CC1 ZINC000835003599 1293184794 /nfs/dbraw/zinc/18/47/94/1293184794.db2.gz YXJZPHBEYYQANP-UHFFFAOYSA-N 1 2 333.798 3.333 20 30 EGEDLO Cc1ccccc1[C@@H](OC[C@@H](O)C[N@H+](C)CCC#N)c1ccccc1 ZINC000122787133 1293424440 /nfs/dbraw/zinc/42/44/40/1293424440.db2.gz VUAUZDCIDPEEGC-FPOVZHCZSA-N 1 2 338.451 3.307 20 30 EGEDLO Cc1ccccc1[C@@H](OC[C@@H](O)C[N@@H+](C)CCC#N)c1ccccc1 ZINC000122787133 1293424445 /nfs/dbraw/zinc/42/44/45/1293424445.db2.gz VUAUZDCIDPEEGC-FPOVZHCZSA-N 1 2 338.451 3.307 20 30 EGEDLO COc1ccc(CC(N)=[NH+]OCc2ncc(C(C)(C)C)o2)cc1OC ZINC000131333518 1293686727 /nfs/dbraw/zinc/68/67/27/1293686727.db2.gz JXRNYOITAYFHSS-UHFFFAOYSA-N 1 2 347.415 3.021 20 30 EGEDLO C=CCc1cc(C[N@H+](C)Cc2nccn2C(F)F)c(O)c(OC)c1 ZINC000163899704 1294340660 /nfs/dbraw/zinc/34/06/60/1294340660.db2.gz ZOENQFHREHXWHJ-UHFFFAOYSA-N 1 2 337.370 3.353 20 30 EGEDLO C=CCc1cc(C[N@@H+](C)Cc2nccn2C(F)F)c(O)c(OC)c1 ZINC000163899704 1294340667 /nfs/dbraw/zinc/34/06/67/1294340667.db2.gz ZOENQFHREHXWHJ-UHFFFAOYSA-N 1 2 337.370 3.353 20 30 EGEDLO CC(=[NH+]Nc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)cc1 ZINC000254716826 1296476069 /nfs/dbraw/zinc/47/60/69/1296476069.db2.gz UYHOXDZMTYLWHO-UHFFFAOYSA-N 1 2 340.383 3.268 20 30 EGEDLO C=CCC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708078478 1298235366 /nfs/dbraw/zinc/23/53/66/1298235366.db2.gz XUZCKVBLXJFALG-NSHDSACASA-N 1 2 334.641 3.225 20 30 EGEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 ZINC000746456827 1298591213 /nfs/dbraw/zinc/59/12/13/1298591213.db2.gz MFERSDZCDREACJ-UHFFFAOYSA-N 1 2 349.434 3.141 20 30 EGEDLO C#CC[N@H+](CC)CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 ZINC000746456827 1298591221 /nfs/dbraw/zinc/59/12/21/1298591221.db2.gz MFERSDZCDREACJ-UHFFFAOYSA-N 1 2 349.434 3.141 20 30 EGEDLO CCOC(=O)N1CCC(C)(C[N@H+](CCC#N)Cc2cccnc2)CC1 ZINC000876528661 1298808424 /nfs/dbraw/zinc/80/84/24/1298808424.db2.gz UXKUNVXUAHPPHD-UHFFFAOYSA-N 1 2 344.459 3.056 20 30 EGEDLO CCOC(=O)N1CCC(C)(C[N@@H+](CCC#N)Cc2cccnc2)CC1 ZINC000876528661 1298808429 /nfs/dbraw/zinc/80/84/29/1298808429.db2.gz UXKUNVXUAHPPHD-UHFFFAOYSA-N 1 2 344.459 3.056 20 30 EGEDLO C=CC[N@@H+](CCCS(=O)(=O)C(C)(C)C)Cc1cccc(C#N)c1 ZINC000878002047 1299697175 /nfs/dbraw/zinc/69/71/75/1299697175.db2.gz LNRVLPJQCRGAFS-UHFFFAOYSA-N 1 2 334.485 3.150 20 30 EGEDLO C=CC[N@H+](CCCS(=O)(=O)C(C)(C)C)Cc1cccc(C#N)c1 ZINC000878002047 1299697184 /nfs/dbraw/zinc/69/71/84/1299697184.db2.gz LNRVLPJQCRGAFS-UHFFFAOYSA-N 1 2 334.485 3.150 20 30 EGEDLO CC(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1ccc(Cl)c(Cl)c1O ZINC000753937815 1300047389 /nfs/dbraw/zinc/04/73/89/1300047389.db2.gz HNQPMQDGYXPLNO-VXGBXAGGSA-N 1 2 341.242 3.283 20 30 EGEDLO C#C[C@@H](CC)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000754374702 1300131538 /nfs/dbraw/zinc/13/15/38/1300131538.db2.gz PSKURKGEGUEAOI-HOTGVXAUSA-N 1 2 349.272 3.114 20 30 EGEDLO CC(=O)[C@](C#N)(CC[N@H+]1C[C@H](C)OC2(CCC2)C1)c1ccccc1 ZINC000878770858 1300183504 /nfs/dbraw/zinc/18/35/04/1300183504.db2.gz WJQGWCYNSFLFDC-OXJNMPFZSA-N 1 2 326.440 3.070 20 30 EGEDLO CC(=O)[C@](C#N)(CC[N@@H+]1C[C@H](C)OC2(CCC2)C1)c1ccccc1 ZINC000878770858 1300183511 /nfs/dbraw/zinc/18/35/11/1300183511.db2.gz WJQGWCYNSFLFDC-OXJNMPFZSA-N 1 2 326.440 3.070 20 30 EGEDLO C=CCc1cc(OC)cc(C[N@@H+]2C[C@H](C)O[C@H](C(F)(F)F)C2)c1O ZINC000754736400 1300204803 /nfs/dbraw/zinc/20/48/03/1300204803.db2.gz KDHZFVRSXHXIHX-NHYWBVRUSA-N 1 2 345.361 3.281 20 30 EGEDLO C=CCc1cc(OC)cc(C[N@H+]2C[C@H](C)O[C@H](C(F)(F)F)C2)c1O ZINC000754736400 1300204810 /nfs/dbraw/zinc/20/48/10/1300204810.db2.gz KDHZFVRSXHXIHX-NHYWBVRUSA-N 1 2 345.361 3.281 20 30 EGEDLO C[C@@H]1C[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2O)C[N@@H+]1Cc1ccccc1 ZINC000757524664 1300680140 /nfs/dbraw/zinc/68/01/40/1300680140.db2.gz AWSOZIIAOHHKTH-OYXFHCAASA-N 1 2 339.395 3.382 20 30 EGEDLO C[C@@H]1C[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2O)C[N@H+]1Cc1ccccc1 ZINC000757524664 1300680147 /nfs/dbraw/zinc/68/01/47/1300680147.db2.gz AWSOZIIAOHHKTH-OYXFHCAASA-N 1 2 339.395 3.382 20 30 EGEDLO C=CC[N@H+](Cc1ccccc1)CN1C[C@](C)(c2ccccn2)CC1=O ZINC000758202904 1300811704 /nfs/dbraw/zinc/81/17/04/1300811704.db2.gz BFTKHBKXCHBWDL-OAQYLSRUSA-N 1 2 335.451 3.217 20 30 EGEDLO C=CC[N@@H+](Cc1ccccc1)CN1C[C@](C)(c2ccccn2)CC1=O ZINC000758202904 1300811722 /nfs/dbraw/zinc/81/17/22/1300811722.db2.gz BFTKHBKXCHBWDL-OAQYLSRUSA-N 1 2 335.451 3.217 20 30 EGEDLO COc1ccccc1[C@@H]1CCCC[N@@H+]1Cn1ccc(C)c(C#N)c1=O ZINC000758220930 1300819578 /nfs/dbraw/zinc/81/95/78/1300819578.db2.gz UMJQQBWZOYDEMW-SFHVURJKSA-N 1 2 337.423 3.222 20 30 EGEDLO COc1ccccc1[C@@H]1CCCC[N@H+]1Cn1ccc(C)c(C#N)c1=O ZINC000758220930 1300819597 /nfs/dbraw/zinc/81/95/97/1300819597.db2.gz UMJQQBWZOYDEMW-SFHVURJKSA-N 1 2 337.423 3.222 20 30 EGEDLO C#Cc1ccc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)nc1 ZINC000761654295 1301516992 /nfs/dbraw/zinc/51/69/92/1301516992.db2.gz VHGRBCSUYIPEFJ-UHFFFAOYSA-N 1 2 327.347 3.025 20 30 EGEDLO N#Cc1ccc([C@H](O)C[N@@H+]2Cc3ccc(Br)cc3C2)cc1 ZINC000765043025 1302187742 /nfs/dbraw/zinc/18/77/42/1302187742.db2.gz JFXSTQQGNBDZOI-QGZVFWFLSA-N 1 2 343.224 3.370 20 30 EGEDLO N#Cc1ccc([C@H](O)C[N@H+]2Cc3ccc(Br)cc3C2)cc1 ZINC000765043025 1302187752 /nfs/dbraw/zinc/18/77/52/1302187752.db2.gz JFXSTQQGNBDZOI-QGZVFWFLSA-N 1 2 343.224 3.370 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2C[C@H](C)C[C@@H]2CC)c1=S ZINC000765058818 1302192010 /nfs/dbraw/zinc/19/20/10/1302192010.db2.gz YOZZZGMIPXFIGK-KGLIPLIRSA-N 1 2 344.488 3.135 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2C[C@H](C)C[C@@H]2CC)c1=S ZINC000765058818 1302192016 /nfs/dbraw/zinc/19/20/16/1302192016.db2.gz YOZZZGMIPXFIGK-KGLIPLIRSA-N 1 2 344.488 3.135 20 30 EGEDLO CCN(C)c1ccc(C(C)=[NH+]NC(=S)Nc2ccccn2)cc1 ZINC000767803382 1302765595 /nfs/dbraw/zinc/76/55/95/1302765595.db2.gz NRSREAPMHMRXGV-UHFFFAOYSA-N 1 2 327.457 3.248 20 30 EGEDLO N#Cc1ccc(C2=CC[N@H+](CN3C(=O)[C@H]4CCCCC[C@@H]43)CC2)cc1 ZINC000767987342 1302799071 /nfs/dbraw/zinc/79/90/71/1302799071.db2.gz PYOGLMWWMIZGDG-PMACEKPBSA-N 1 2 335.451 3.396 20 30 EGEDLO N#Cc1ccc(C2=CC[N@@H+](CN3C(=O)[C@H]4CCCCC[C@@H]43)CC2)cc1 ZINC000767987342 1302799082 /nfs/dbraw/zinc/79/90/82/1302799082.db2.gz PYOGLMWWMIZGDG-PMACEKPBSA-N 1 2 335.451 3.396 20 30 EGEDLO C[C@@H](CCC1CC1)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000768755099 1302971601 /nfs/dbraw/zinc/97/16/01/1302971601.db2.gz FIZQSBKWGLHDBC-ZDUSSCGKSA-N 1 2 338.455 3.225 20 30 EGEDLO C=CCn1c2ccccc2n(C[N@H+](C)CCc2cnccn2)c1=S ZINC000770667920 1303302476 /nfs/dbraw/zinc/30/24/76/1303302476.db2.gz IRESQOBKAPYVJF-UHFFFAOYSA-N 1 2 339.468 3.280 20 30 EGEDLO C=CCn1c2ccccc2n(C[N@@H+](C)CCc2cnccn2)c1=S ZINC000770667920 1303302479 /nfs/dbraw/zinc/30/24/79/1303302479.db2.gz IRESQOBKAPYVJF-UHFFFAOYSA-N 1 2 339.468 3.280 20 30 EGEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccc(N4CCOCC4)cc3)n2c1 ZINC000771844188 1303449203 /nfs/dbraw/zinc/44/92/03/1303449203.db2.gz GNVBRLGOZYJQPM-FPLPWBNLSA-N 1 2 347.418 3.375 20 30 EGEDLO C=CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000886768453 1303591486 /nfs/dbraw/zinc/59/14/86/1303591486.db2.gz AVRAJXGZRMBJGR-LBPRGKRZSA-N 1 2 340.826 3.209 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000773435066 1303680536 /nfs/dbraw/zinc/68/05/36/1303680536.db2.gz AFXPHFLJSNXNQM-INIZCTEOSA-N 1 2 331.460 3.024 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000773435066 1303680541 /nfs/dbraw/zinc/68/05/41/1303680541.db2.gz AFXPHFLJSNXNQM-INIZCTEOSA-N 1 2 331.460 3.024 20 30 EGEDLO C#CC[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000775398779 1303956261 /nfs/dbraw/zinc/95/62/61/1303956261.db2.gz LTLVUCPULHEASO-KRWDZBQOSA-N 1 2 348.362 3.499 20 30 EGEDLO C#C[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)[C@H]1CCCO1 ZINC000775571342 1303985798 /nfs/dbraw/zinc/98/57/98/1303985798.db2.gz FRQJASLFCPAMHO-QCZZGDTMSA-N 1 2 342.208 3.125 20 30 EGEDLO C#C[C@H]([NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1)[C@@H]1CCCO1 ZINC000775791530 1304038382 /nfs/dbraw/zinc/03/83/82/1304038382.db2.gz VWTQHYYSKUAHTF-SLFFLAALSA-N 1 2 334.419 3.137 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1csc(Nc2ccccc2C)n1)[C@@H]1CCCO1 ZINC000775800824 1304039322 /nfs/dbraw/zinc/03/93/22/1304039322.db2.gz RDLRPBKSTOFSOG-WBVHZDCISA-N 1 2 327.453 3.466 20 30 EGEDLO CC(=NOCCC(F)(F)F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000777459527 1304300600 /nfs/dbraw/zinc/30/06/00/1304300600.db2.gz IYIOODAYUQBSRA-OAHLLOKOSA-N 1 2 330.350 3.232 20 30 EGEDLO CC(=NOCCC(F)(F)F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000777459527 1304300603 /nfs/dbraw/zinc/30/06/03/1304300603.db2.gz IYIOODAYUQBSRA-OAHLLOKOSA-N 1 2 330.350 3.232 20 30 EGEDLO COc1c(C)c[nH+]c(CNC(=O)c2ccc(Cl)c(C#N)c2)c1C ZINC000777799762 1304348813 /nfs/dbraw/zinc/34/88/13/1304348813.db2.gz CXRPTGHHOMUJJE-UHFFFAOYSA-N 1 2 329.787 3.162 20 30 EGEDLO C#CCOc1ccccc1C[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000779103528 1304528518 /nfs/dbraw/zinc/52/85/18/1304528518.db2.gz DEKSXUHHEGHWST-NRFANRHFSA-N 1 2 349.409 3.450 20 30 EGEDLO C=CCN(CCc1ccco1)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000779341497 1304558999 /nfs/dbraw/zinc/55/89/99/1304558999.db2.gz IHKMFQHUNPEEGH-UHFFFAOYSA-N 1 2 343.427 3.240 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000780637705 1304717562 /nfs/dbraw/zinc/71/75/62/1304717562.db2.gz RDCZWEXLKNGWSL-KRWDZBQOSA-N 1 2 345.487 3.414 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000780637705 1304717564 /nfs/dbraw/zinc/71/75/64/1304717564.db2.gz RDCZWEXLKNGWSL-KRWDZBQOSA-N 1 2 345.487 3.414 20 30 EGEDLO C=CCS(=O)(=O)CC[NH2+]Cc1c(Cl)ccc(Cl)c1Cl ZINC000782969161 1305032371 /nfs/dbraw/zinc/03/23/71/1305032371.db2.gz XWXNDKXQRURBOV-UHFFFAOYSA-N 1 2 342.675 3.337 20 30 EGEDLO Oc1ccc(/C=[NH+]\C[C@H]2CCCN(c3ccccc3)C2)c(O)c1O ZINC000788318473 1305920990 /nfs/dbraw/zinc/92/09/90/1305920990.db2.gz DTQAQUMVCKIMQP-FAPYRAKZSA-N 1 2 326.396 3.139 20 30 EGEDLO CC(C)N(C)c1ccc(C=[NH+]Nc2ccc3c(cc[nH]c3=O)c2)cn1 ZINC000789076120 1306084898 /nfs/dbraw/zinc/08/48/98/1306084898.db2.gz GGIJNZLUUGMUCP-UHFFFAOYSA-N 1 2 335.411 3.214 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000790709225 1308854748 /nfs/dbraw/zinc/85/47/48/1308854748.db2.gz AZSPMMGWXWLOPR-ZWKOTPCHSA-N 1 2 341.455 3.413 20 30 EGEDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CNc1ccc(C#N)cc1 ZINC000791341102 1308964450 /nfs/dbraw/zinc/96/44/50/1308964450.db2.gz SWNFITSYVATUPZ-UHFFFAOYSA-N 1 2 346.390 3.208 20 30 EGEDLO C[C@]12CC[N@H+](CC(=O)Nc3ccc(C#N)cc3)C[C@H]1C2(Cl)Cl ZINC000792911975 1309257955 /nfs/dbraw/zinc/25/79/55/1309257955.db2.gz SEYLPRJEMDFDPU-HIFRSBDPSA-N 1 2 338.238 3.012 20 30 EGEDLO C[C@]12CC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)C[C@H]1C2(Cl)Cl ZINC000792911975 1309257962 /nfs/dbraw/zinc/25/79/62/1309257962.db2.gz SEYLPRJEMDFDPU-HIFRSBDPSA-N 1 2 338.238 3.012 20 30 EGEDLO Cn1c[nH+]cc1CCOC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000793236626 1309326178 /nfs/dbraw/zinc/32/61/78/1309326178.db2.gz AQVHRURDJGRXGU-UHFFFAOYSA-N 1 2 336.395 3.078 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccccc1)Cn1cc(C(=O)OCC)c(C)n1 ZINC000794651045 1309564183 /nfs/dbraw/zinc/56/41/83/1309564183.db2.gz QQADJOFSMRJJPH-UHFFFAOYSA-N 1 2 327.428 3.404 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccccc1)Cn1cc(C(=O)OCC)c(C)n1 ZINC000794651045 1309564186 /nfs/dbraw/zinc/56/41/86/1309564186.db2.gz QQADJOFSMRJJPH-UHFFFAOYSA-N 1 2 327.428 3.404 20 30 EGEDLO Cc1ccc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)cc1[N+](=O)[O-] ZINC000794690590 1309576803 /nfs/dbraw/zinc/57/68/03/1309576803.db2.gz JQHGASBCPZXPOB-SREVYHEPSA-N 1 2 331.397 3.317 20 30 EGEDLO C[NH+](C)Cc1cnc(/C=C2/COc3c(F)ccc(F)c3C2=O)s1 ZINC000794710916 1309580633 /nfs/dbraw/zinc/58/06/33/1309580633.db2.gz KSFIRDFDDNZEPT-UITAMQMPSA-N 1 2 336.363 3.142 20 30 EGEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccccc3-n3ccnn3)n2c1 ZINC000794732587 1309586455 /nfs/dbraw/zinc/58/64/55/1309586455.db2.gz RNQKULNDERLLBM-BQYQJAHWSA-N 1 2 329.363 3.120 20 30 EGEDLO COc1cc2c(cc1OC)C(=O)/C(=C/c1c[nH+]c3ccc(C)cn13)C2 ZINC000794960574 1309633419 /nfs/dbraw/zinc/63/34/19/1309633419.db2.gz FDHMOIAUBIKIMQ-VGOFMYFVSA-N 1 2 334.375 3.482 20 30 EGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(F)(F)CC1 ZINC000796542745 1310027427 /nfs/dbraw/zinc/02/74/27/1310027427.db2.gz JAJDGBQIHNUUTH-ZDUSSCGKSA-N 1 2 339.361 3.192 20 30 EGEDLO Cc1ccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1C#N ZINC000799299724 1310520879 /nfs/dbraw/zinc/52/08/79/1310520879.db2.gz OPJMQIHZSANJET-UHFFFAOYSA-N 1 2 330.391 3.042 20 30 EGEDLO COC(=O)c1c(F)cccc1N[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000800817457 1310810391 /nfs/dbraw/zinc/81/03/91/1310810391.db2.gz MWQPTEASNCVKTP-UHFFFAOYSA-N 1 2 342.374 3.054 20 30 EGEDLO N#C[C@@H]1CCC[C@H](OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000839040718 1320855306 /nfs/dbraw/zinc/85/53/06/1320855306.db2.gz AVMIRUSZYPRORX-OCCSQVGLSA-N 1 2 340.339 3.020 20 30 EGEDLO CCn1c[nH+]cc1/C=C\C(=O)c1ccc(NC(=O)NC(C)C)cc1 ZINC000901457837 1317429448 /nfs/dbraw/zinc/42/94/48/1317429448.db2.gz RUBNVHIIFHXGIE-KTKRTIGZSA-N 1 2 326.400 3.329 20 30 EGEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1cccc(N2CCOC2=O)c1 ZINC000901464076 1317431562 /nfs/dbraw/zinc/43/15/62/1317431562.db2.gz FLVVXXSFJBMZFI-VOTSOKGWSA-N 1 2 325.368 3.317 20 30 EGEDLO CCOC(=O)COc1cccc(C(=O)/C=C\c2c[nH+]cn2C(C)C)c1 ZINC000901468128 1317432280 /nfs/dbraw/zinc/43/22/80/1317432280.db2.gz XUZQTTIGKUHDSA-HJWRWDBZSA-N 1 2 342.395 3.302 20 30 EGEDLO C#C[C@@H](NC(=O)Nc1cc(C)[nH+]cc1C)c1ccc(Cl)cc1F ZINC000806380773 1317485040 /nfs/dbraw/zinc/48/50/40/1317485040.db2.gz FEUFJHCMHZIDCF-OAHLLOKOSA-N 1 2 331.778 3.409 20 30 EGEDLO Cn1c[nH+]cc1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000806450881 1317492059 /nfs/dbraw/zinc/49/20/59/1317492059.db2.gz ZQHYAUAZIVBONM-LJQANCHMSA-N 1 2 330.391 3.257 20 30 EGEDLO NC(=[NH+]OCCOC1CCC1)c1ccc(OCc2ccccc2)cc1 ZINC000808254756 1317652598 /nfs/dbraw/zinc/65/25/98/1317652598.db2.gz OBMFNGPQPSZVOY-UHFFFAOYSA-N 1 2 340.423 3.472 20 30 EGEDLO C[C@H]1CCCC[C@@H]1CC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000957872943 1317672175 /nfs/dbraw/zinc/67/21/75/1317672175.db2.gz QHGBEWFRNMKXMX-FXAWDEMLSA-N 1 2 339.483 3.419 20 30 EGEDLO C#C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(Cl)cc1F ZINC000809698800 1317867931 /nfs/dbraw/zinc/86/79/31/1317867931.db2.gz GEZYSCSEEGWKGT-AWEZNQCLSA-N 1 2 333.746 3.378 20 30 EGEDLO C(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1cccc(Oc2ccccn2)c1 ZINC000905457016 1317961253 /nfs/dbraw/zinc/96/12/53/1317961253.db2.gz QZLRWMUYTDXAJJ-IRXDYDNUSA-N 1 2 335.411 3.068 20 30 EGEDLO Cc1cc(C)c(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c(C)[nH+]1 ZINC000905470575 1317962719 /nfs/dbraw/zinc/96/27/19/1317962719.db2.gz CHVSBNVGHCMAIR-IBGZPJMESA-N 1 2 348.450 3.030 20 30 EGEDLO C#Cc1ccccc1CC(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000810190496 1317972976 /nfs/dbraw/zinc/97/29/76/1317972976.db2.gz QWJORQMVTHGRLE-UHFFFAOYSA-N 1 2 327.453 3.147 20 30 EGEDLO N#Cc1ccc(COC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000810575363 1318025697 /nfs/dbraw/zinc/02/56/97/1318025697.db2.gz BLJSDWKSVMXBFP-UHFFFAOYSA-N 1 2 331.375 3.089 20 30 EGEDLO Cc1nc(C[NH+]2CCC(C(=O)OC3(CC#N)CCC3)CC2)cs1 ZINC000810858241 1318068669 /nfs/dbraw/zinc/06/86/69/1318068669.db2.gz RFKNOTXMUFQPAY-UHFFFAOYSA-N 1 2 333.457 3.043 20 30 EGEDLO N#Cc1ccncc1C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907816524 1318264942 /nfs/dbraw/zinc/26/49/42/1318264942.db2.gz UMRNOYKHHVNARS-OAHLLOKOSA-N 1 2 349.438 3.011 20 30 EGEDLO N#Cc1ccncc1C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907816524 1318264949 /nfs/dbraw/zinc/26/49/49/1318264949.db2.gz UMRNOYKHHVNARS-OAHLLOKOSA-N 1 2 349.438 3.011 20 30 EGEDLO N#Cc1ccnc(COC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000909022581 1318427158 /nfs/dbraw/zinc/42/71/58/1318427158.db2.gz JMLMUNAZMNBYRP-LJQANCHMSA-N 1 2 335.407 3.051 20 30 EGEDLO N#Cc1ccnc(COC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000909022581 1318427162 /nfs/dbraw/zinc/42/71/62/1318427162.db2.gz JMLMUNAZMNBYRP-LJQANCHMSA-N 1 2 335.407 3.051 20 30 EGEDLO CCCCc1nc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@@H](C)C#N)cs1 ZINC000960501263 1318609034 /nfs/dbraw/zinc/60/90/34/1318609034.db2.gz KLQDUYHQORJDPM-HOCLYGCPSA-N 1 2 348.516 3.068 20 30 EGEDLO CCCCc1nc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@@H](C)C#N)cs1 ZINC000960501263 1318609038 /nfs/dbraw/zinc/60/90/38/1318609038.db2.gz KLQDUYHQORJDPM-HOCLYGCPSA-N 1 2 348.516 3.068 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cscn1 ZINC000960648098 1318768852 /nfs/dbraw/zinc/76/88/52/1318768852.db2.gz KJNAYICLXGZJJY-CQSZACIVSA-N 1 2 341.908 3.345 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cscn1 ZINC000960648098 1318768855 /nfs/dbraw/zinc/76/88/55/1318768855.db2.gz KJNAYICLXGZJJY-CQSZACIVSA-N 1 2 341.908 3.345 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nc(C)sc1C ZINC000960791199 1318894576 /nfs/dbraw/zinc/89/45/76/1318894576.db2.gz PGDGUFSQRNXWTI-HNNXBMFYSA-N 1 2 335.517 3.395 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1nc(C)sc1C ZINC000960791199 1318894585 /nfs/dbraw/zinc/89/45/85/1318894585.db2.gz PGDGUFSQRNXWTI-HNNXBMFYSA-N 1 2 335.517 3.395 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1coc(C2CC2)n1 ZINC000960792704 1318897460 /nfs/dbraw/zinc/89/74/60/1318897460.db2.gz VOVRMYXDNOZCPJ-INIZCTEOSA-N 1 2 331.460 3.187 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1coc(C2CC2)n1 ZINC000960792704 1318897468 /nfs/dbraw/zinc/89/74/68/1318897468.db2.gz VOVRMYXDNOZCPJ-INIZCTEOSA-N 1 2 331.460 3.187 20 30 EGEDLO CC1(C)C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C[C@@](C)(C(F)(F)F)O1 ZINC000815147867 1318914468 /nfs/dbraw/zinc/91/44/68/1318914468.db2.gz HGRMPRUAANHFBC-ZBFHGGJFSA-N 1 2 342.361 3.023 20 30 EGEDLO CC1(C)C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C[C@@](C)(C(F)(F)F)O1 ZINC000815147867 1318914474 /nfs/dbraw/zinc/91/44/74/1318914474.db2.gz HGRMPRUAANHFBC-ZBFHGGJFSA-N 1 2 342.361 3.023 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)[C@@H](C)c2nnc(C)o2)CC1 ZINC000960832758 1318963414 /nfs/dbraw/zinc/96/34/14/1318963414.db2.gz OVPYBGKRBKWELL-YOEHRIQHSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)[C@@H](C)c2nnc(C)o2)CC1 ZINC000960832758 1318963420 /nfs/dbraw/zinc/96/34/20/1318963420.db2.gz OVPYBGKRBKWELL-YOEHRIQHSA-N 1 2 346.475 3.108 20 30 EGEDLO C=CCC[C@@H](CC)Nc1ccc(N2CCN(C(=O)OC)CC2)[nH+]c1 ZINC000815656180 1319038914 /nfs/dbraw/zinc/03/89/14/1319038914.db2.gz NDBKTXSENGWVGK-OAHLLOKOSA-N 1 2 332.448 3.127 20 30 EGEDLO CCc1ccc(C#CC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000815943093 1319077248 /nfs/dbraw/zinc/07/72/48/1319077248.db2.gz DFXMXEVJAKXQNB-UHFFFAOYSA-N 1 2 329.403 3.103 20 30 EGEDLO C=CCC1(C(=O)OCc2cccc(C[NH+]3CCOCC3)c2)CCC1 ZINC000817187028 1319292228 /nfs/dbraw/zinc/29/22/28/1319292228.db2.gz KEYNIYDNAJAFLL-UHFFFAOYSA-N 1 2 329.440 3.308 20 30 EGEDLO Brc1cccc(N[NH+]=Cc2cnc(N3CCCC3)nc2)c1 ZINC000914773723 1319374917 /nfs/dbraw/zinc/37/49/17/1319374917.db2.gz TUCBFPJWJXRBBJ-UHFFFAOYSA-N 1 2 346.232 3.285 20 30 EGEDLO C[C@@H]1CN(c2ccccc2C=[NH+]Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000915932894 1319566065 /nfs/dbraw/zinc/56/60/65/1319566065.db2.gz DQVMCSAVMYTECJ-CQSZACIVSA-N 1 2 340.383 3.266 20 30 EGEDLO CSc1ccccc1NC(=O)[C@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000818617265 1319571371 /nfs/dbraw/zinc/57/13/71/1319571371.db2.gz ODENHMIKWMGNLE-NSHDSACASA-N 1 2 347.415 3.212 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(N(C)C(C)=O)cc1 ZINC000858723844 1328841556 /nfs/dbraw/zinc/84/15/56/1328841556.db2.gz DIJBHERTUQCAQD-UHFFFAOYSA-N 1 2 337.423 3.469 20 30 EGEDLO C#Cc1cccc(CNC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000838723827 1320808319 /nfs/dbraw/zinc/80/83/19/1320808319.db2.gz UKQHCACOTPMZLK-UHFFFAOYSA-N 1 2 337.423 3.030 20 30 EGEDLO Cc1nc(C[NH+]2CCC(C(=O)O[C@@H]3CCC[C@@H](C#N)C3)CC2)cs1 ZINC000839052253 1320858565 /nfs/dbraw/zinc/85/85/65/1320858565.db2.gz MWVILLGKKGEKMG-RHSMWYFYSA-N 1 2 347.484 3.289 20 30 EGEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000839601747 1320943370 /nfs/dbraw/zinc/94/33/70/1320943370.db2.gz NMLJSONSKKLPTL-HNNXBMFYSA-N 1 2 335.407 3.231 20 30 EGEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000839601747 1320943374 /nfs/dbraw/zinc/94/33/74/1320943374.db2.gz NMLJSONSKKLPTL-HNNXBMFYSA-N 1 2 335.407 3.231 20 30 EGEDLO C=CC[N@@H+](Cc1ccccc1)CN1C(=O)C2(CCOCC2)[C@@H]1C1CC1 ZINC000839961433 1321004196 /nfs/dbraw/zinc/00/41/96/1321004196.db2.gz WCHJOVJSYBHMIE-IBGZPJMESA-N 1 2 340.467 3.050 20 30 EGEDLO C=CC[N@H+](Cc1ccccc1)CN1C(=O)C2(CCOCC2)[C@@H]1C1CC1 ZINC000839961433 1321004199 /nfs/dbraw/zinc/00/41/99/1321004199.db2.gz WCHJOVJSYBHMIE-IBGZPJMESA-N 1 2 340.467 3.050 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)O[C@@H](C)CC(C)(C)C#N ZINC000851203768 1322353857 /nfs/dbraw/zinc/35/38/57/1322353857.db2.gz FAWRNIIHOWXVBV-JTQLQIEISA-N 1 2 335.354 3.495 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccoc2)cc1F ZINC001024331904 1323320076 /nfs/dbraw/zinc/32/00/76/1323320076.db2.gz SDYIXZLDILLNQP-KRWDZBQOSA-N 1 2 341.386 3.075 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)c2ccoc2)cc1F ZINC001024331904 1323320081 /nfs/dbraw/zinc/32/00/81/1323320081.db2.gz SDYIXZLDILLNQP-KRWDZBQOSA-N 1 2 341.386 3.075 20 30 EGEDLO Cc1ncccc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001024629949 1323555826 /nfs/dbraw/zinc/55/58/26/1323555826.db2.gz HOMDBHZOKXIBJJ-LJQANCHMSA-N 1 2 348.450 3.046 20 30 EGEDLO Cc1ncccc1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001024629949 1323555829 /nfs/dbraw/zinc/55/58/29/1323555829.db2.gz HOMDBHZOKXIBJJ-LJQANCHMSA-N 1 2 348.450 3.046 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(OCC)cc1 ZINC001024780654 1323683110 /nfs/dbraw/zinc/68/31/10/1323683110.db2.gz ABWXIBVZDAXNNV-INIZCTEOSA-N 1 2 336.863 3.422 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(OCC)cc1 ZINC001024780654 1323683113 /nfs/dbraw/zinc/68/31/13/1323683113.db2.gz ABWXIBVZDAXNNV-INIZCTEOSA-N 1 2 336.863 3.422 20 30 EGEDLO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1sc(Cl)nc1Cl ZINC001024804490 1323706859 /nfs/dbraw/zinc/70/68/59/1323706859.db2.gz SVPQQGIRMOEZPG-SNVBAGLBSA-N 1 2 346.283 3.058 20 30 EGEDLO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1sc(Cl)nc1Cl ZINC001024804490 1323706856 /nfs/dbraw/zinc/70/68/56/1323706856.db2.gz SVPQQGIRMOEZPG-SNVBAGLBSA-N 1 2 346.283 3.058 20 30 EGEDLO CC(C)CC(=O)N1CCC[N@H+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000931568047 1329146173 /nfs/dbraw/zinc/14/61/73/1329146173.db2.gz PBYZABDZMANFIL-UHFFFAOYSA-N 1 2 333.863 3.292 20 30 EGEDLO CC(C)CC(=O)N1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000931568047 1329146178 /nfs/dbraw/zinc/14/61/78/1329146178.db2.gz PBYZABDZMANFIL-UHFFFAOYSA-N 1 2 333.863 3.292 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc([C@@H](C)O)c(C)n1 ZINC000853466190 1325097446 /nfs/dbraw/zinc/09/74/46/1325097446.db2.gz VQJMTUVMFWAXSI-OAHLLOKOSA-N 1 2 325.412 3.243 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1C[C@H](OCC)[C@@]12CCCO2 ZINC000853479374 1325100849 /nfs/dbraw/zinc/10/08/49/1325100849.db2.gz ZGYORHVDSSRGTH-ZIFCJYIRSA-N 1 2 330.428 3.012 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC001027275584 1325388423 /nfs/dbraw/zinc/38/84/23/1325388423.db2.gz TURXQRUCSCBBLC-OAHLLOKOSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC001027275584 1325388429 /nfs/dbraw/zinc/38/84/29/1325388429.db2.gz TURXQRUCSCBBLC-OAHLLOKOSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)/C=C(\C)C2CC2)C1 ZINC001027313512 1325465914 /nfs/dbraw/zinc/46/59/14/1325465914.db2.gz GMRVQXNPAXSXQB-RZXPCSSPSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)/C=C(\C)C2CC2)C1 ZINC001027313512 1325465917 /nfs/dbraw/zinc/46/59/17/1325465917.db2.gz GMRVQXNPAXSXQB-RZXPCSSPSA-N 1 2 341.293 3.174 20 30 EGEDLO C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)C1CCCC1 ZINC000964624776 1325586173 /nfs/dbraw/zinc/58/61/73/1325586173.db2.gz YOJVASYGIFQOQC-LIRRHRJNSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)C1CCCC1 ZINC000964624776 1325586179 /nfs/dbraw/zinc/58/61/79/1325586179.db2.gz YOJVASYGIFQOQC-LIRRHRJNSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)N1CC[C@H]([N@@H+](C)CC=C(Cl)Cl)C1 ZINC001191575793 1367531179 /nfs/dbraw/zinc/53/11/79/1367531179.db2.gz DKRDFZAHVHXBIW-XJKSGUPXSA-N 1 2 349.302 3.067 20 30 EGEDLO CCCCCCCNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000860799469 1329357030 /nfs/dbraw/zinc/35/70/30/1329357030.db2.gz UUHGEJAIYFDPFU-UHFFFAOYSA-N 1 2 334.464 3.319 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]([N@H+](C)Cc2nocc2C)C1 ZINC001027425951 1327659026 /nfs/dbraw/zinc/65/90/26/1327659026.db2.gz OHIYCRDIHMHUJR-AWEZNQCLSA-N 1 2 339.867 3.185 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2nocc2C)C1 ZINC001027425951 1327659034 /nfs/dbraw/zinc/65/90/34/1327659034.db2.gz OHIYCRDIHMHUJR-AWEZNQCLSA-N 1 2 339.867 3.185 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)[C@@H](C)c2nnc(C)s2)C1 ZINC001027525649 1327799612 /nfs/dbraw/zinc/79/96/12/1327799612.db2.gz XSUKRXFWIGPRDN-GXTWGEPZSA-N 1 2 336.505 3.043 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)[C@@H](C)c2nnc(C)s2)C1 ZINC001027525649 1327799619 /nfs/dbraw/zinc/79/96/19/1327799619.db2.gz XSUKRXFWIGPRDN-GXTWGEPZSA-N 1 2 336.505 3.043 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC2(C)C)C1 ZINC001027536272 1327829419 /nfs/dbraw/zinc/82/94/19/1327829419.db2.gz PPXGUQDXIDBZDQ-KBPBESRZSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC2(C)C)C1 ZINC001027536272 1327829412 /nfs/dbraw/zinc/82/94/12/1327829412.db2.gz PPXGUQDXIDBZDQ-KBPBESRZSA-N 1 2 343.309 3.254 20 30 EGEDLO C[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C=C1CCC1 ZINC000965890181 1328083015 /nfs/dbraw/zinc/08/30/15/1328083015.db2.gz CKNBACCIJPVTIJ-IFXJQAMLSA-N 1 2 341.430 3.134 20 30 EGEDLO C[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C=C1CCC1 ZINC000965890181 1328083022 /nfs/dbraw/zinc/08/30/22/1328083022.db2.gz CKNBACCIJPVTIJ-IFXJQAMLSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1CNC(=O)c1cccs1 ZINC001027734170 1328159206 /nfs/dbraw/zinc/15/92/06/1328159206.db2.gz QUDRLAQHHAQZRO-MRXNPFEDSA-N 1 2 325.437 3.014 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccs1 ZINC001027734170 1328159215 /nfs/dbraw/zinc/15/92/15/1328159215.db2.gz QUDRLAQHHAQZRO-MRXNPFEDSA-N 1 2 325.437 3.014 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2cc(C)ccc2n1 ZINC001028015876 1328478412 /nfs/dbraw/zinc/47/84/12/1328478412.db2.gz MJEFEBOJIOKONT-INIZCTEOSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2cc(C)ccc2n1 ZINC001028015876 1328478416 /nfs/dbraw/zinc/47/84/16/1328478416.db2.gz MJEFEBOJIOKONT-INIZCTEOSA-N 1 2 343.858 3.490 20 30 EGEDLO C=CCC[C@@H](O)C[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000931800005 1329762295 /nfs/dbraw/zinc/76/22/95/1329762295.db2.gz MAQCBJKPNYBPMM-CRAIPNDOSA-N 1 2 331.847 3.338 20 30 EGEDLO C=CCC[C@@H](O)C[N@H+]1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000931800005 1329762297 /nfs/dbraw/zinc/76/22/97/1329762297.db2.gz MAQCBJKPNYBPMM-CRAIPNDOSA-N 1 2 331.847 3.338 20 30 EGEDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C#N)cc1C ZINC000867628289 1330211769 /nfs/dbraw/zinc/21/17/69/1330211769.db2.gz WADFWSKEXHOTFV-UHFFFAOYSA-N 1 2 329.425 3.257 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C(C)C)o3)C[C@H]2C)C1 ZINC000942607703 1332003346 /nfs/dbraw/zinc/00/33/46/1332003346.db2.gz JQLHELAGPIJNEE-CVEARBPZSA-N 1 2 345.487 3.481 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C(C)C)o3)C[C@H]2C)C1 ZINC000942607703 1332003347 /nfs/dbraw/zinc/00/33/47/1332003347.db2.gz JQLHELAGPIJNEE-CVEARBPZSA-N 1 2 345.487 3.481 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)C2CCCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000946972096 1332950207 /nfs/dbraw/zinc/95/02/07/1332950207.db2.gz WIXZLUGZTWYMLN-AUUYWEPGSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)C2CCCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000946972096 1332950209 /nfs/dbraw/zinc/95/02/09/1332950209.db2.gz WIXZLUGZTWYMLN-AUUYWEPGSA-N 1 2 343.446 3.357 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cc(C)co2)C[C@@H]1C ZINC000947617194 1333193904 /nfs/dbraw/zinc/19/39/04/1333193904.db2.gz WRXLVOOWTLJGAM-STQMWFEESA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)co2)C[C@@H]1C ZINC000947617194 1333193905 /nfs/dbraw/zinc/19/39/05/1333193905.db2.gz WRXLVOOWTLJGAM-STQMWFEESA-N 1 2 341.249 3.079 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3coc(C4CC4)n3)[C@H](C)C2)C1 ZINC000947702673 1333232407 /nfs/dbraw/zinc/23/24/07/1333232407.db2.gz QWTYUMPZTUKDTK-GDBMZVCRSA-N 1 2 343.471 3.377 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3coc(C4CC4)n3)[C@H](C)C2)C1 ZINC000947702673 1333232409 /nfs/dbraw/zinc/23/24/09/1333232409.db2.gz QWTYUMPZTUKDTK-GDBMZVCRSA-N 1 2 343.471 3.377 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CCC[N@@H+]([C@@H](C)c3noc(C)n3)CC2)C1 ZINC000948754091 1333662698 /nfs/dbraw/zinc/66/26/98/1333662698.db2.gz SUYAYPBGNIRRQG-GOEBONIOSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CCC[N@H+]([C@@H](C)c3noc(C)n3)CC2)C1 ZINC000948754091 1333662699 /nfs/dbraw/zinc/66/26/99/1333662699.db2.gz SUYAYPBGNIRRQG-GOEBONIOSA-N 1 2 346.475 3.108 20 30 EGEDLO C=CCn1cccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC000948772853 1333673273 /nfs/dbraw/zinc/67/32/73/1333673273.db2.gz LYDPSRPODJZTRE-UHFFFAOYSA-N 1 2 341.430 3.080 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC000948920136 1333734605 /nfs/dbraw/zinc/73/46/05/1333734605.db2.gz XJOIIJJPLDVION-TZIWHRDSSA-N 1 2 336.479 3.472 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC000948920136 1333734609 /nfs/dbraw/zinc/73/46/09/1333734609.db2.gz XJOIIJJPLDVION-TZIWHRDSSA-N 1 2 336.479 3.472 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc2[nH]ccc2s1 ZINC000948979505 1333756104 /nfs/dbraw/zinc/75/61/04/1333756104.db2.gz XNIZWFZNQNHDJW-KRWDZBQOSA-N 1 2 349.459 3.192 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc2[nH]ccc2s1 ZINC000948979505 1333756106 /nfs/dbraw/zinc/75/61/06/1333756106.db2.gz XNIZWFZNQNHDJW-KRWDZBQOSA-N 1 2 349.459 3.192 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc2ccccc2o1 ZINC000948982096 1333757414 /nfs/dbraw/zinc/75/74/14/1333757414.db2.gz HLAOSOGZQIVGSF-LJQANCHMSA-N 1 2 344.414 3.395 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc2ccccc2o1 ZINC000948982096 1333757416 /nfs/dbraw/zinc/75/74/16/1333757416.db2.gz HLAOSOGZQIVGSF-LJQANCHMSA-N 1 2 344.414 3.395 20 30 EGEDLO CCCc1ccccc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000949216473 1333796803 /nfs/dbraw/zinc/79/68/03/1333796803.db2.gz DHPDHZFGUSEWPM-UHFFFAOYSA-N 1 2 347.462 3.469 20 30 EGEDLO C#Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCc4c3cccc4F)CC2)cc1 ZINC000949597192 1333880950 /nfs/dbraw/zinc/88/09/50/1333880950.db2.gz NFWUXHSXTJTOHP-NRFANRHFSA-N 1 2 348.421 3.252 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[NH+](Cc3cccc(OC)c3C)CC2)C1 ZINC000950382630 1334056582 /nfs/dbraw/zinc/05/65/82/1334056582.db2.gz GTWMMZIQWSDJOF-UHFFFAOYSA-N 1 2 328.456 3.004 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC000967208204 1335677054 /nfs/dbraw/zinc/67/70/54/1335677054.db2.gz RJRIICGANNCROA-LRDDRELGSA-N 1 2 346.862 3.064 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC000967208204 1335677056 /nfs/dbraw/zinc/67/70/56/1335677056.db2.gz RJRIICGANNCROA-LRDDRELGSA-N 1 2 346.862 3.064 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(OC)cc2F)C1 ZINC000967255531 1335679269 /nfs/dbraw/zinc/67/92/69/1335679269.db2.gz JSLMJPPUWMFNAR-MEDUHNTESA-N 1 2 340.826 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(OC)cc2F)C1 ZINC000967255531 1335679271 /nfs/dbraw/zinc/67/92/71/1335679271.db2.gz JSLMJPPUWMFNAR-MEDUHNTESA-N 1 2 340.826 3.027 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](Cc3nc(C)cs3)CC[C@H]2C)C1 ZINC000968213625 1335873255 /nfs/dbraw/zinc/87/32/55/1335873255.db2.gz PSDZNVXIWKVDOV-HIFRSBDPSA-N 1 2 333.501 3.134 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](Cc3nc(C)cs3)CC[C@H]2C)C1 ZINC000968213625 1335873257 /nfs/dbraw/zinc/87/32/57/1335873257.db2.gz PSDZNVXIWKVDOV-HIFRSBDPSA-N 1 2 333.501 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000968334115 1335892705 /nfs/dbraw/zinc/89/27/05/1335892705.db2.gz GOITYCJZRFKIPB-OTYXRUKQSA-N 1 2 346.780 3.297 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000968334115 1335892707 /nfs/dbraw/zinc/89/27/07/1335892707.db2.gz GOITYCJZRFKIPB-OTYXRUKQSA-N 1 2 346.780 3.297 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC000968344798 1335895692 /nfs/dbraw/zinc/89/56/92/1335895692.db2.gz FGUSHHINXLSTDM-LRDDRELGSA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC000968344798 1335895693 /nfs/dbraw/zinc/89/56/93/1335895693.db2.gz FGUSHHINXLSTDM-LRDDRELGSA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc3sccc3[nH]2)C1 ZINC000968505816 1335945824 /nfs/dbraw/zinc/94/58/24/1335945824.db2.gz QWGQOSHLXVKSTF-IINYFYTJSA-N 1 2 337.876 3.422 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc3sccc3[nH]2)C1 ZINC000968505816 1335945825 /nfs/dbraw/zinc/94/58/25/1335945825.db2.gz QWGQOSHLXVKSTF-IINYFYTJSA-N 1 2 337.876 3.422 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC000968615625 1335984870 /nfs/dbraw/zinc/98/48/70/1335984870.db2.gz ZXGSWUAMKKDPAK-KBXCAEBGSA-N 1 2 334.891 3.425 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC000968615625 1335984873 /nfs/dbraw/zinc/98/48/73/1335984873.db2.gz ZXGSWUAMKKDPAK-KBXCAEBGSA-N 1 2 334.891 3.425 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2ccc3c(c2)CCC3)C1 ZINC000968638574 1335992326 /nfs/dbraw/zinc/99/23/26/1335992326.db2.gz ABECULVKQVWWHP-KUHUBIRLSA-N 1 2 346.902 3.297 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2ccc3c(c2)CCC3)C1 ZINC000968638574 1335992330 /nfs/dbraw/zinc/99/23/30/1335992330.db2.gz ABECULVKQVWWHP-KUHUBIRLSA-N 1 2 346.902 3.297 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2nc(C(C)(C)C)cs2)C1 ZINC000969890545 1336257572 /nfs/dbraw/zinc/25/75/72/1336257572.db2.gz IWGUSSNPCBIBBP-NSHDSACASA-N 1 2 341.908 3.243 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(Cl)c(F)c2)C1 ZINC000970480147 1336311445 /nfs/dbraw/zinc/31/14/45/1336311445.db2.gz BBYIRKZUGKHJGM-SNVBAGLBSA-N 1 2 331.218 3.282 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC001005958790 1336430088 /nfs/dbraw/zinc/43/00/88/1336430088.db2.gz BDXGKTAUPDDHGX-UKRRQHHQSA-N 1 2 343.309 3.254 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccc3)C2)c(F)c1 ZINC001006613922 1336539575 /nfs/dbraw/zinc/53/95/75/1336539575.db2.gz KDHVUZBGTZSOCJ-GOSISDBHSA-N 1 2 337.398 3.092 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccccc3)C2)c(F)c1 ZINC001006613922 1336539578 /nfs/dbraw/zinc/53/95/78/1336539578.db2.gz KDHVUZBGTZSOCJ-GOSISDBHSA-N 1 2 337.398 3.092 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)c2ccsc2)C1 ZINC001006681035 1336556185 /nfs/dbraw/zinc/55/61/85/1336556185.db2.gz UTMVMYGTWXBGGE-QGZVFWFLSA-N 1 2 325.437 3.014 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)c2ccsc2)C1 ZINC001006681035 1336556189 /nfs/dbraw/zinc/55/61/89/1336556189.db2.gz UTMVMYGTWXBGGE-QGZVFWFLSA-N 1 2 325.437 3.014 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3CC=CCC3)C2)c1 ZINC001006725569 1336564853 /nfs/dbraw/zinc/56/48/53/1336564853.db2.gz XQZRBUXZFABCIA-WMZOPIPTSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](NC(=O)[C@H]3CC=CCC3)C2)c1 ZINC001006725569 1336564855 /nfs/dbraw/zinc/56/48/55/1336564855.db2.gz XQZRBUXZFABCIA-WMZOPIPTSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cn(C)c3ccccc23)C1 ZINC001007821650 1336708131 /nfs/dbraw/zinc/70/81/31/1336708131.db2.gz IYLWHIGYACWXLT-AWEZNQCLSA-N 1 2 331.847 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cn(C)c3ccccc23)C1 ZINC001007821650 1336708136 /nfs/dbraw/zinc/70/81/36/1336708136.db2.gz IYLWHIGYACWXLT-AWEZNQCLSA-N 1 2 331.847 3.125 20 30 EGEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3ccc(F)cc3s2)C1 ZINC001007823418 1336708538 /nfs/dbraw/zinc/70/85/38/1336708538.db2.gz LTIUTTLBLYGDLZ-OAHLLOKOSA-N 1 2 330.428 3.258 20 30 EGEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3ccc(F)cc3s2)C1 ZINC001007823418 1336708540 /nfs/dbraw/zinc/70/85/40/1336708540.db2.gz LTIUTTLBLYGDLZ-OAHLLOKOSA-N 1 2 330.428 3.258 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccnc3ccccc32)C1 ZINC001007843375 1336715244 /nfs/dbraw/zinc/71/52/44/1336715244.db2.gz DVANXKDICGEWHU-AWEZNQCLSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccnc3ccccc32)C1 ZINC001007843375 1336715245 /nfs/dbraw/zinc/71/52/45/1336715245.db2.gz DVANXKDICGEWHU-AWEZNQCLSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)c2c(F)cccc2F)C1 ZINC001007945589 1336736825 /nfs/dbraw/zinc/73/68/25/1336736825.db2.gz YFIZFTGGWHYRGF-CHWSQXEVSA-N 1 2 342.817 3.401 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)c2c(F)cccc2F)C1 ZINC001007945589 1336736826 /nfs/dbraw/zinc/73/68/26/1336736826.db2.gz YFIZFTGGWHYRGF-CHWSQXEVSA-N 1 2 342.817 3.401 20 30 EGEDLO CC1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)CCCC1 ZINC001008109722 1336771508 /nfs/dbraw/zinc/77/15/08/1336771508.db2.gz QAOCXQNYHAGHST-QGZVFWFLSA-N 1 2 343.446 3.358 20 30 EGEDLO CC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)CCCC1 ZINC001008109722 1336771512 /nfs/dbraw/zinc/77/15/12/1336771512.db2.gz QAOCXQNYHAGHST-QGZVFWFLSA-N 1 2 343.446 3.358 20 30 EGEDLO CC(C)(C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)C1CC1 ZINC001008227479 1336797629 /nfs/dbraw/zinc/79/76/29/1336797629.db2.gz WLSNSRWOJCOZHE-IBGZPJMESA-N 1 2 342.458 3.194 20 30 EGEDLO CC(C)(C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)C1CC1 ZINC001008227479 1336797632 /nfs/dbraw/zinc/79/76/32/1336797632.db2.gz WLSNSRWOJCOZHE-IBGZPJMESA-N 1 2 342.458 3.194 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001008260835 1336807581 /nfs/dbraw/zinc/80/75/81/1336807581.db2.gz YOSGTUOJGBOLHK-DLBZAZTESA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001008260835 1336807583 /nfs/dbraw/zinc/80/75/83/1336807583.db2.gz YOSGTUOJGBOLHK-DLBZAZTESA-N 1 2 343.446 3.214 20 30 EGEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1CC12CC2 ZINC001008678003 1336908883 /nfs/dbraw/zinc/90/88/83/1336908883.db2.gz RISMPQKUJYPZOE-ROUUACIJSA-N 1 2 342.870 3.072 20 30 EGEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1CC12CC2 ZINC001008678003 1336908885 /nfs/dbraw/zinc/90/88/85/1336908885.db2.gz RISMPQKUJYPZOE-ROUUACIJSA-N 1 2 342.870 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)c2ccc(F)cc2)C1 ZINC001009258249 1336992106 /nfs/dbraw/zinc/99/21/06/1336992106.db2.gz JAAJKLQERXOPQT-MRXNPFEDSA-N 1 2 338.854 3.436 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)c2ccc(F)cc2)C1 ZINC001009258249 1336992109 /nfs/dbraw/zinc/99/21/09/1336992109.db2.gz JAAJKLQERXOPQT-MRXNPFEDSA-N 1 2 338.854 3.436 20 30 EGEDLO Cc1ccccc1CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001009467589 1337027976 /nfs/dbraw/zinc/02/79/76/1337027976.db2.gz YYEZFHYKASHGEQ-NRFANRHFSA-N 1 2 347.462 3.190 20 30 EGEDLO Cc1ccccc1CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001009467589 1337027979 /nfs/dbraw/zinc/02/79/79/1337027979.db2.gz YYEZFHYKASHGEQ-NRFANRHFSA-N 1 2 347.462 3.190 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2ccc3c(c2)CCCC3)C1 ZINC001009471404 1337028776 /nfs/dbraw/zinc/02/87/76/1337028776.db2.gz PEDRDIJLQPRDFT-IBGZPJMESA-N 1 2 346.902 3.441 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2ccc3c(c2)CCCC3)C1 ZINC001009471404 1337028778 /nfs/dbraw/zinc/02/87/78/1337028778.db2.gz PEDRDIJLQPRDFT-IBGZPJMESA-N 1 2 346.902 3.441 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C)c2cccc(OC)c2)C1 ZINC001009645964 1337052240 /nfs/dbraw/zinc/05/22/40/1337052240.db2.gz ZZNATOIUNRDENL-HOCLYGCPSA-N 1 2 336.863 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)c2cccc(OC)c2)C1 ZINC001009645964 1337052242 /nfs/dbraw/zinc/05/22/42/1337052242.db2.gz ZZNATOIUNRDENL-HOCLYGCPSA-N 1 2 336.863 3.132 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(c3ccccc3C)CC2)C1 ZINC001009726514 1337066364 /nfs/dbraw/zinc/06/63/64/1337066364.db2.gz UTUPBGOGHWVWDH-MRXNPFEDSA-N 1 2 332.875 3.360 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(c3ccccc3C)CC2)C1 ZINC001009726514 1337066368 /nfs/dbraw/zinc/06/63/68/1337066368.db2.gz UTUPBGOGHWVWDH-MRXNPFEDSA-N 1 2 332.875 3.360 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)s1 ZINC001009951865 1337119967 /nfs/dbraw/zinc/11/99/67/1337119967.db2.gz POZDZSMAGQGUAX-QGZVFWFLSA-N 1 2 342.439 3.051 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)s1 ZINC001009951865 1337119970 /nfs/dbraw/zinc/11/99/70/1337119970.db2.gz POZDZSMAGQGUAX-QGZVFWFLSA-N 1 2 342.439 3.051 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)s1 ZINC001014588901 1337838697 /nfs/dbraw/zinc/83/86/97/1337838697.db2.gz KYQKUHLRRKCPMQ-KRWDZBQOSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)s1 ZINC001014588901 1337838698 /nfs/dbraw/zinc/83/86/98/1337838698.db2.gz KYQKUHLRRKCPMQ-KRWDZBQOSA-N 1 2 339.464 3.241 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001014912822 1337948392 /nfs/dbraw/zinc/94/83/92/1337948392.db2.gz ASGHWJGJNYBXEF-XLIONFOSSA-N 1 2 337.467 3.385 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001014912822 1337948394 /nfs/dbraw/zinc/94/83/94/1337948394.db2.gz ASGHWJGJNYBXEF-XLIONFOSSA-N 1 2 337.467 3.385 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3c([nH]2)c(F)ccc3C)C1 ZINC001015012674 1337987750 /nfs/dbraw/zinc/98/77/50/1337987750.db2.gz CIIGKVURHUSKFO-LBPRGKRZSA-N 1 2 335.810 3.172 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3c([nH]2)c(F)ccc3C)C1 ZINC001015012674 1337987753 /nfs/dbraw/zinc/98/77/53/1337987753.db2.gz CIIGKVURHUSKFO-LBPRGKRZSA-N 1 2 335.810 3.172 20 30 EGEDLO Cc1oc(C)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)c1C ZINC001015177893 1338042518 /nfs/dbraw/zinc/04/25/18/1338042518.db2.gz OVOMSSLUPACMHC-CQSZACIVSA-N 1 2 343.452 3.142 20 30 EGEDLO Cc1oc(C)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)c1C ZINC001015177893 1338042524 /nfs/dbraw/zinc/04/25/24/1338042524.db2.gz OVOMSSLUPACMHC-CQSZACIVSA-N 1 2 343.452 3.142 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[C@H]3CC=CCC3)C2)c(F)c1 ZINC001015527108 1338168013 /nfs/dbraw/zinc/16/80/13/1338168013.db2.gz LIMTYEROWOYWFI-YJBOKZPZSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C[C@H]3CC=CCC3)C2)c(F)c1 ZINC001015527108 1338168014 /nfs/dbraw/zinc/16/80/14/1338168014.db2.gz LIMTYEROWOYWFI-YJBOKZPZSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC001015672631 1338250256 /nfs/dbraw/zinc/25/02/56/1338250256.db2.gz DSNNNKNXENZKBQ-GOSISDBHSA-N 1 2 342.870 3.238 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC001015672631 1338250257 /nfs/dbraw/zinc/25/02/57/1338250257.db2.gz DSNNNKNXENZKBQ-GOSISDBHSA-N 1 2 342.870 3.238 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001015687816 1338259950 /nfs/dbraw/zinc/25/99/50/1338259950.db2.gz SFTITHGXEIBXJR-PBHICJAKSA-N 1 2 347.409 3.074 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001015687816 1338259953 /nfs/dbraw/zinc/25/99/53/1338259953.db2.gz SFTITHGXEIBXJR-PBHICJAKSA-N 1 2 347.409 3.074 20 30 EGEDLO Cc1ccc(F)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)c1 ZINC001015758938 1338294369 /nfs/dbraw/zinc/29/43/69/1338294369.db2.gz JCEOJKUFVQZMHL-CYBMUJFWSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1ccc(F)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)c1 ZINC001015758938 1338294372 /nfs/dbraw/zinc/29/43/72/1338294372.db2.gz JCEOJKUFVQZMHL-CYBMUJFWSA-N 1 2 343.427 3.072 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCc3ccccc3C2)C1 ZINC001016101373 1338463000 /nfs/dbraw/zinc/46/30/00/1338463000.db2.gz OOJFPVPIOHPSDM-YJBOKZPZSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCc3ccccc3C2)C1 ZINC001016101373 1338463001 /nfs/dbraw/zinc/46/30/01/1338463001.db2.gz OOJFPVPIOHPSDM-YJBOKZPZSA-N 1 2 332.875 3.125 20 30 EGEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ccc(C(F)F)o1 ZINC001016130648 1338471418 /nfs/dbraw/zinc/47/14/18/1338471418.db2.gz JBUHPXIAOPBRAC-OAHLLOKOSA-N 1 2 344.361 3.073 20 30 EGEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ccc(C(F)F)o1 ZINC001016130648 1338471420 /nfs/dbraw/zinc/47/14/20/1338471420.db2.gz JBUHPXIAOPBRAC-OAHLLOKOSA-N 1 2 344.361 3.073 20 30 EGEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)c(CCC)c1 ZINC001018169445 1339520770 /nfs/dbraw/zinc/52/07/70/1339520770.db2.gz KZEDUHQYPPUHSI-CALCHBBNSA-N 1 2 330.859 3.215 20 30 EGEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)c(CCC)c1 ZINC001018169445 1339520773 /nfs/dbraw/zinc/52/07/73/1339520773.db2.gz KZEDUHQYPPUHSI-CALCHBBNSA-N 1 2 330.859 3.215 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)c1ccc(F)cc1 ZINC001018317818 1339574689 /nfs/dbraw/zinc/57/46/89/1339574689.db2.gz SIYWQHDTMIDYGF-OTWHNJEPSA-N 1 2 328.431 3.018 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)c1ccc(F)cc1 ZINC001018317818 1339574691 /nfs/dbraw/zinc/57/46/91/1339574691.db2.gz SIYWQHDTMIDYGF-OTWHNJEPSA-N 1 2 328.431 3.018 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H](C)c2nnc(CC)o2)CC1 ZINC001028116982 1340438501 /nfs/dbraw/zinc/43/85/01/1340438501.db2.gz LPQJKOLJYDNZLF-HOCLYGCPSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H](C)c2nnc(CC)o2)CC1 ZINC001028116982 1340438502 /nfs/dbraw/zinc/43/85/02/1340438502.db2.gz LPQJKOLJYDNZLF-HOCLYGCPSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC001028242390 1340502666 /nfs/dbraw/zinc/50/26/66/1340502666.db2.gz FVVTZQBPEKQXOE-INIZCTEOSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC001028242390 1340502668 /nfs/dbraw/zinc/50/26/68/1340502668.db2.gz FVVTZQBPEKQXOE-INIZCTEOSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC001028242391 1340503221 /nfs/dbraw/zinc/50/32/21/1340503221.db2.gz FVVTZQBPEKQXOE-MRXNPFEDSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC001028242391 1340503225 /nfs/dbraw/zinc/50/32/25/1340503225.db2.gz FVVTZQBPEKQXOE-MRXNPFEDSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1cnc(C)cn1 ZINC001029420278 1340986374 /nfs/dbraw/zinc/98/63/74/1340986374.db2.gz VNVLRSMVFYLCPX-ZACQAIPSSA-N 1 2 342.487 3.124 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1cnc(C)cn1 ZINC001029420278 1340986375 /nfs/dbraw/zinc/98/63/75/1340986375.db2.gz VNVLRSMVFYLCPX-ZACQAIPSSA-N 1 2 342.487 3.124 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2oc(CC)nc2C)C1 ZINC001029465409 1340996834 /nfs/dbraw/zinc/99/68/34/1340996834.db2.gz WBYGUWQNKATFKH-IYBDPMFKSA-N 1 2 343.471 3.077 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2oc(CC)nc2C)C1 ZINC001029465409 1340996835 /nfs/dbraw/zinc/99/68/35/1340996835.db2.gz WBYGUWQNKATFKH-IYBDPMFKSA-N 1 2 343.471 3.077 20 30 EGEDLO CCc1ccc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)s1 ZINC001031823476 1341406995 /nfs/dbraw/zinc/40/69/95/1341406995.db2.gz GISXEKHIOUUWOB-UHFFFAOYSA-N 1 2 339.464 3.044 20 30 EGEDLO CCCc1ccccc1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031833678 1341408984 /nfs/dbraw/zinc/40/89/84/1341408984.db2.gz AMMHSKDRCMCJEI-UHFFFAOYSA-N 1 2 346.474 3.352 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)C1 ZINC001031890348 1341417533 /nfs/dbraw/zinc/41/75/33/1341417533.db2.gz PKRVMCVPZVAPDX-UHFFFAOYSA-N 1 2 338.238 3.235 20 30 EGEDLO C[C@H]1CCC[C@@H](C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)C1 ZINC001031939907 1341427041 /nfs/dbraw/zinc/42/70/41/1341427041.db2.gz VYQBWHCFQHUYTF-QFBILLFUSA-N 1 2 342.458 3.052 20 30 EGEDLO C=C1CCC(C(=O)NCC2C[NH+](Cc3cc(F)cc(F)c3)C2)CC1 ZINC001031951188 1341430383 /nfs/dbraw/zinc/43/03/83/1341430383.db2.gz CQJYGBOSJFXBEB-UHFFFAOYSA-N 1 2 334.410 3.259 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C(C)C)n1 ZINC001032562656 1341540932 /nfs/dbraw/zinc/54/09/32/1341540932.db2.gz AZRDARMBCWUJGX-IRXDYDNUSA-N 1 2 327.472 3.202 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C(C)C)n1 ZINC001032562656 1341540933 /nfs/dbraw/zinc/54/09/33/1341540933.db2.gz AZRDARMBCWUJGX-IRXDYDNUSA-N 1 2 327.472 3.202 20 30 EGEDLO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2ccco2)s1 ZINC001032710202 1341587022 /nfs/dbraw/zinc/58/70/22/1341587022.db2.gz WRBADNGLJXGCHN-KBPBESRZSA-N 1 2 328.437 3.483 20 30 EGEDLO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2ccco2)s1 ZINC001032710202 1341587023 /nfs/dbraw/zinc/58/70/23/1341587023.db2.gz WRBADNGLJXGCHN-KBPBESRZSA-N 1 2 328.437 3.483 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C2=CCCCCC2)C1 ZINC001033033644 1341702842 /nfs/dbraw/zinc/70/28/42/1341702842.db2.gz SKVBNCNJVHUKRM-HNNXBMFYSA-N 1 2 341.293 3.318 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C2=CCCCCC2)C1 ZINC001033033644 1341702845 /nfs/dbraw/zinc/70/28/45/1341702845.db2.gz SKVBNCNJVHUKRM-HNNXBMFYSA-N 1 2 341.293 3.318 20 30 EGEDLO CN(C(=O)c1sccc1F)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033059842 1341711133 /nfs/dbraw/zinc/71/11/33/1341711133.db2.gz YMYXOMVKIAYUTE-NSHDSACASA-N 1 2 349.456 3.167 20 30 EGEDLO CN(C(=O)c1sccc1F)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033059842 1341711136 /nfs/dbraw/zinc/71/11/36/1341711136.db2.gz YMYXOMVKIAYUTE-NSHDSACASA-N 1 2 349.456 3.167 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3cc(C)ccc3n2)C1 ZINC001033254755 1341760226 /nfs/dbraw/zinc/76/02/26/1341760226.db2.gz PRYBMAFOJPTPNL-INIZCTEOSA-N 1 2 343.858 3.442 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3cc(C)ccc3n2)C1 ZINC001033254755 1341760228 /nfs/dbraw/zinc/76/02/28/1341760228.db2.gz PRYBMAFOJPTPNL-INIZCTEOSA-N 1 2 343.858 3.442 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC001033272252 1341765261 /nfs/dbraw/zinc/76/52/61/1341765261.db2.gz PKMNWJXXJCPMIY-MSOLQXFVSA-N 1 2 332.875 3.465 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC001033272252 1341765262 /nfs/dbraw/zinc/76/52/62/1341765262.db2.gz PKMNWJXXJCPMIY-MSOLQXFVSA-N 1 2 332.875 3.465 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)c3cccnc23)C1 ZINC001033275614 1341765793 /nfs/dbraw/zinc/76/57/93/1341765793.db2.gz OIDQYPJYWUPAAX-OAHLLOKOSA-N 1 2 343.858 3.442 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)c3cccnc23)C1 ZINC001033275614 1341765794 /nfs/dbraw/zinc/76/57/94/1341765794.db2.gz OIDQYPJYWUPAAX-OAHLLOKOSA-N 1 2 343.858 3.442 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2COc3cc(C)c(C)cc32)C1 ZINC001033299888 1341771252 /nfs/dbraw/zinc/77/12/52/1341771252.db2.gz VWLXXWYQMVKWND-DOTOQJQBSA-N 1 2 348.874 3.065 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2COc3cc(C)c(C)cc32)C1 ZINC001033299888 1341771253 /nfs/dbraw/zinc/77/12/53/1341771253.db2.gz VWLXXWYQMVKWND-DOTOQJQBSA-N 1 2 348.874 3.065 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2cccc(Cl)c2)C1 ZINC001033382152 1341804020 /nfs/dbraw/zinc/80/40/20/1341804020.db2.gz ZYETWODYXHLWFI-HNNXBMFYSA-N 1 2 327.255 3.168 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2cccc(Cl)c2)C1 ZINC001033382152 1341804021 /nfs/dbraw/zinc/80/40/21/1341804021.db2.gz ZYETWODYXHLWFI-HNNXBMFYSA-N 1 2 327.255 3.168 20 30 EGEDLO CN(C(=O)c1occc1Cl)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033390153 1341809375 /nfs/dbraw/zinc/80/93/75/1341809375.db2.gz CHFJKKYPWIYEPU-NSHDSACASA-N 1 2 349.843 3.213 20 30 EGEDLO CN(C(=O)c1occc1Cl)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033390153 1341809376 /nfs/dbraw/zinc/80/93/76/1341809376.db2.gz CHFJKKYPWIYEPU-NSHDSACASA-N 1 2 349.843 3.213 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@H+](Cc3cc(O)ccc3Cl)C2)C1 ZINC001033398885 1341813497 /nfs/dbraw/zinc/81/34/97/1341813497.db2.gz LJCVWMLWACIKNB-HNNXBMFYSA-N 1 2 348.874 3.435 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cc(O)ccc3Cl)C2)C1 ZINC001033398885 1341813498 /nfs/dbraw/zinc/81/34/98/1341813498.db2.gz LJCVWMLWACIKNB-HNNXBMFYSA-N 1 2 348.874 3.435 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc(C)c3ccccc32)C1 ZINC001033488861 1341844708 /nfs/dbraw/zinc/84/47/08/1341844708.db2.gz BGISXPOFSAMKAV-MRXNPFEDSA-N 1 2 345.874 3.235 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc(C)c3ccccc32)C1 ZINC001033488861 1341844709 /nfs/dbraw/zinc/84/47/09/1341844709.db2.gz BGISXPOFSAMKAV-MRXNPFEDSA-N 1 2 345.874 3.235 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001033490760 1341844866 /nfs/dbraw/zinc/84/48/66/1341844866.db2.gz WROCATWFOFNHSR-SCTDSRPQSA-N 1 2 332.875 3.465 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001033490760 1341844867 /nfs/dbraw/zinc/84/48/67/1341844867.db2.gz WROCATWFOFNHSR-SCTDSRPQSA-N 1 2 332.875 3.465 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccccc2Cl)C1 ZINC001033639095 1341921800 /nfs/dbraw/zinc/92/18/00/1341921800.db2.gz BFJHWEYLLWZJDI-CQSZACIVSA-N 1 2 327.255 3.168 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccccc2Cl)C1 ZINC001033639095 1341921801 /nfs/dbraw/zinc/92/18/01/1341921801.db2.gz BFJHWEYLLWZJDI-CQSZACIVSA-N 1 2 327.255 3.168 20 30 EGEDLO CCN(C(=O)c1ccco1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033724817 1341977767 /nfs/dbraw/zinc/97/77/67/1341977767.db2.gz FTTYOKMWNHJDCZ-INIZCTEOSA-N 1 2 341.386 3.027 20 30 EGEDLO CCN(C(=O)c1ccco1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033724817 1341977769 /nfs/dbraw/zinc/97/77/69/1341977769.db2.gz FTTYOKMWNHJDCZ-INIZCTEOSA-N 1 2 341.386 3.027 20 30 EGEDLO CCN(C(=O)c1ccco1)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033726210 1341978267 /nfs/dbraw/zinc/97/82/67/1341978267.db2.gz OWIWWWCPGCTVER-MRXNPFEDSA-N 1 2 341.386 3.027 20 30 EGEDLO CCN(C(=O)c1ccco1)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033726210 1341978268 /nfs/dbraw/zinc/97/82/68/1341978268.db2.gz OWIWWWCPGCTVER-MRXNPFEDSA-N 1 2 341.386 3.027 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccccc2)C1 ZINC001033733715 1341983720 /nfs/dbraw/zinc/98/37/20/1341983720.db2.gz GUHNOFGDBLKYAB-HNNXBMFYSA-N 1 2 337.261 3.132 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccccc2)C1 ZINC001033733715 1341983721 /nfs/dbraw/zinc/98/37/21/1341983721.db2.gz GUHNOFGDBLKYAB-HNNXBMFYSA-N 1 2 337.261 3.132 20 30 EGEDLO CCN(C(=O)c1coc(C)c1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033805877 1342022338 /nfs/dbraw/zinc/02/23/38/1342022338.db2.gz YZAAICZWPWZFJC-LJQANCHMSA-N 1 2 337.423 3.196 20 30 EGEDLO CCN(C(=O)c1coc(C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033805877 1342022340 /nfs/dbraw/zinc/02/23/40/1342022340.db2.gz YZAAICZWPWZFJC-LJQANCHMSA-N 1 2 337.423 3.196 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)c2csc([C@H]3CCCO3)n2)C1 ZINC001033828803 1342028946 /nfs/dbraw/zinc/02/89/46/1342028946.db2.gz RMGMVOKLPLPBPB-GDBMZVCRSA-N 1 2 349.500 3.107 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2csc([C@H]3CCCO3)n2)C1 ZINC001033828803 1342028947 /nfs/dbraw/zinc/02/89/47/1342028947.db2.gz RMGMVOKLPLPBPB-GDBMZVCRSA-N 1 2 349.500 3.107 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cccc3c2O[C@@H](C)C3)C1 ZINC001033901391 1342074115 /nfs/dbraw/zinc/07/41/15/1342074115.db2.gz BMBWZHPAWXWSMK-HOCLYGCPSA-N 1 2 348.874 3.299 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc3c2O[C@@H](C)C3)C1 ZINC001033901391 1342074118 /nfs/dbraw/zinc/07/41/18/1342074118.db2.gz BMBWZHPAWXWSMK-HOCLYGCPSA-N 1 2 348.874 3.299 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cccc3[nH]ccc32)C1 ZINC001033962736 1342115406 /nfs/dbraw/zinc/11/54/06/1342115406.db2.gz ZBWPKCOGFGEAJK-AWEZNQCLSA-N 1 2 331.847 3.457 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc3[nH]ccc32)C1 ZINC001033962736 1342115407 /nfs/dbraw/zinc/11/54/07/1342115407.db2.gz ZBWPKCOGFGEAJK-AWEZNQCLSA-N 1 2 331.847 3.457 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc3ccccc3[nH]2)C1 ZINC001034037944 1342178540 /nfs/dbraw/zinc/17/85/40/1342178540.db2.gz CGPJDSBLSCIHSC-HNNXBMFYSA-N 1 2 331.847 3.457 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc3ccccc3[nH]2)C1 ZINC001034037944 1342178545 /nfs/dbraw/zinc/17/85/45/1342178545.db2.gz CGPJDSBLSCIHSC-HNNXBMFYSA-N 1 2 331.847 3.457 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001034267235 1342358300 /nfs/dbraw/zinc/35/83/00/1342358300.db2.gz UCGCHKLWIUVZDF-HIFRSBDPSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001034267235 1342358301 /nfs/dbraw/zinc/35/83/01/1342358301.db2.gz UCGCHKLWIUVZDF-HIFRSBDPSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(-c3ccco3)n[nH]2)C1 ZINC001034419377 1342481251 /nfs/dbraw/zinc/48/12/51/1342481251.db2.gz BNUPLOIUDLTXST-CYBMUJFWSA-N 1 2 348.834 3.007 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(-c3ccco3)n[nH]2)C1 ZINC001034419377 1342481254 /nfs/dbraw/zinc/48/12/54/1342481254.db2.gz BNUPLOIUDLTXST-CYBMUJFWSA-N 1 2 348.834 3.007 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2Cc3c(cccc3C)O2)C1 ZINC001034487610 1342546334 /nfs/dbraw/zinc/54/63/34/1342546334.db2.gz PJLLGAVGTQSDEJ-CRAIPNDOSA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2Cc3c(cccc3C)O2)C1 ZINC001034487610 1342546336 /nfs/dbraw/zinc/54/63/36/1342546336.db2.gz PJLLGAVGTQSDEJ-CRAIPNDOSA-N 1 2 348.874 3.022 20 30 EGEDLO C[C@@H](C#N)C(=O)N1CCC2(C[NH+](Cc3cc(Cl)ccc3F)C2)CC1 ZINC001035673068 1343131304 /nfs/dbraw/zinc/13/13/04/1343131304.db2.gz LSSLIQPGVRUYOW-ZDUSSCGKSA-N 1 2 349.837 3.063 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cc3c(o1)CCCC3)CC2 ZINC001035722913 1343152477 /nfs/dbraw/zinc/15/24/77/1343152477.db2.gz QKMMIORVFNXAHK-UHFFFAOYSA-N 1 2 348.874 3.449 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1c[nH]c3ccccc13)CC2 ZINC001035745023 1343165672 /nfs/dbraw/zinc/16/56/72/1343165672.db2.gz ZZDIXNSMGHDPTQ-UHFFFAOYSA-N 1 2 343.858 3.458 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC2(C[NH+]([C@@H](C)c3ncc(C)o3)C2)CC1 ZINC001035768100 1343180288 /nfs/dbraw/zinc/18/02/88/1343180288.db2.gz ZRIRPUQKXXLYAV-HNNXBMFYSA-N 1 2 331.460 3.181 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC2(C[NH+](Cc3nc(C)oc3C)C2)CC1 ZINC001035786718 1343198592 /nfs/dbraw/zinc/19/85/92/1343198592.db2.gz HZEPVRLRTKBHRF-LJQANCHMSA-N 1 2 345.487 3.318 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)CC[C@H]1CCCCO1)CC2 ZINC001035807180 1343207801 /nfs/dbraw/zinc/20/78/01/1343207801.db2.gz HLYBFAPHPMYIKN-MRXNPFEDSA-N 1 2 340.895 3.013 20 30 EGEDLO C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038164882 1344306999 /nfs/dbraw/zinc/30/69/99/1344306999.db2.gz XCCGPPZORPYWSJ-LRDDRELGSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038164882 1344307000 /nfs/dbraw/zinc/30/70/00/1344307000.db2.gz XCCGPPZORPYWSJ-LRDDRELGSA-N 1 2 342.830 3.105 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCC=CCCC2)s1 ZINC001038404159 1344413897 /nfs/dbraw/zinc/41/38/97/1344413897.db2.gz YFXFKOQOUZFLSX-HZPDHXFCSA-N 1 2 343.496 3.447 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCC=CCCC2)s1 ZINC001038404159 1344413900 /nfs/dbraw/zinc/41/39/00/1344413900.db2.gz YFXFKOQOUZFLSX-HZPDHXFCSA-N 1 2 343.496 3.447 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]2CCc2c(F)cccc2F)CC1 ZINC001038666683 1344530082 /nfs/dbraw/zinc/53/00/82/1344530082.db2.gz IPTPBTFWAYXFMH-MRXNPFEDSA-N 1 2 348.437 3.444 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCc2c(F)cccc2F)CC1 ZINC001038666683 1344530086 /nfs/dbraw/zinc/53/00/86/1344530086.db2.gz IPTPBTFWAYXFMH-MRXNPFEDSA-N 1 2 348.437 3.444 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+]2Cc2cnn(C(C)(C)C)c2)CC1 ZINC001038669100 1344532664 /nfs/dbraw/zinc/53/26/64/1344532664.db2.gz ZJKYYUUAEHALJJ-SFHVURJKSA-N 1 2 344.503 3.075 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cnn(C(C)(C)C)c2)CC1 ZINC001038669100 1344532668 /nfs/dbraw/zinc/53/26/68/1344532668.db2.gz ZJKYYUUAEHALJJ-SFHVURJKSA-N 1 2 344.503 3.075 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccc3cc[nH]c3c2)c1 ZINC001038747346 1344565290 /nfs/dbraw/zinc/56/52/90/1344565290.db2.gz JKZNWXFLJOXWEU-LJQANCHMSA-N 1 2 344.418 3.044 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccc3cc[nH]c3c2)c1 ZINC001038747346 1344565297 /nfs/dbraw/zinc/56/52/97/1344565297.db2.gz JKZNWXFLJOXWEU-LJQANCHMSA-N 1 2 344.418 3.044 20 30 EGEDLO CC[C@H]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2CC#Cc2ccccc2)CC1 ZINC001038943028 1344666057 /nfs/dbraw/zinc/66/60/57/1344666057.db2.gz REIQCFIVBRINKA-HMXCVIKNSA-N 1 2 338.495 3.445 20 30 EGEDLO CC[C@H]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2CC#Cc2ccccc2)CC1 ZINC001038943028 1344666060 /nfs/dbraw/zinc/66/60/60/1344666060.db2.gz REIQCFIVBRINKA-HMXCVIKNSA-N 1 2 338.495 3.445 20 30 EGEDLO CCc1ccc(C(=O)NC[C@H]2CC[N@@H+]2CC#Cc2ccccc2)cc1 ZINC001038974898 1344689892 /nfs/dbraw/zinc/68/98/92/1344689892.db2.gz ZDLGXERJIWGJRG-OAQYLSRUSA-N 1 2 332.447 3.105 20 30 EGEDLO CCc1ccc(C(=O)NC[C@H]2CC[N@H+]2CC#Cc2ccccc2)cc1 ZINC001038974898 1344689896 /nfs/dbraw/zinc/68/98/96/1344689896.db2.gz ZDLGXERJIWGJRG-OAQYLSRUSA-N 1 2 332.447 3.105 20 30 EGEDLO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)c(C)c1 ZINC001038983546 1344696799 /nfs/dbraw/zinc/69/67/99/1344696799.db2.gz ULQFJRZPOQOKSP-OAHLLOKOSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)c(C)c1 ZINC001038983546 1344696805 /nfs/dbraw/zinc/69/68/05/1344696805.db2.gz ULQFJRZPOQOKSP-OAHLLOKOSA-N 1 2 339.464 3.241 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)c[nH]1 ZINC001039333175 1345018563 /nfs/dbraw/zinc/01/85/63/1345018563.db2.gz MPPMYKWFLTWUAX-OLZOCXBDSA-N 1 2 328.243 3.100 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)c[nH]1 ZINC001039333175 1345018568 /nfs/dbraw/zinc/01/85/68/1345018568.db2.gz MPPMYKWFLTWUAX-OLZOCXBDSA-N 1 2 328.243 3.100 20 30 EGEDLO O=C(C[C@@H]1C=CCC1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001039510024 1345122093 /nfs/dbraw/zinc/12/20/93/1345122093.db2.gz NHGAKKCJHJUXCL-VSKRKVRLSA-N 1 2 348.490 3.460 20 30 EGEDLO O=C(C[C@@H]1C=CCC1)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001039510024 1345122094 /nfs/dbraw/zinc/12/20/94/1345122094.db2.gz NHGAKKCJHJUXCL-VSKRKVRLSA-N 1 2 348.490 3.460 20 30 EGEDLO O=C(C=C1CCC1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001039548061 1345140370 /nfs/dbraw/zinc/14/03/70/1345140370.db2.gz DUTVAUTYFKTCAB-OYRHEFFESA-N 1 2 334.463 3.214 20 30 EGEDLO O=C(C=C1CCC1)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001039548061 1345140371 /nfs/dbraw/zinc/14/03/71/1345140371.db2.gz DUTVAUTYFKTCAB-OYRHEFFESA-N 1 2 334.463 3.214 20 30 EGEDLO C=CCn1cccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H](F)CC ZINC001039644562 1345153051 /nfs/dbraw/zinc/15/30/51/1345153051.db2.gz JEPYOGJQDMZCGR-ZACQAIPSSA-N 1 2 333.451 3.101 20 30 EGEDLO C=CCn1cccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H](F)CC ZINC001039644562 1345153052 /nfs/dbraw/zinc/15/30/52/1345153052.db2.gz JEPYOGJQDMZCGR-ZACQAIPSSA-N 1 2 333.451 3.101 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@@H](CNc3cc[nH+]c(C)n3)[C@H](C)C2)CC1 ZINC001040448570 1345505715 /nfs/dbraw/zinc/50/57/15/1345505715.db2.gz RGFUAYFXZYCGOZ-QAPCUYQASA-N 1 2 342.487 3.428 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3c(C)noc3C3CC3)C[C@H]21 ZINC001042156122 1345958707 /nfs/dbraw/zinc/95/87/07/1345958707.db2.gz PZYIYIZJVWVICT-UKRRQHHQSA-N 1 2 349.862 3.149 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c(C)noc3C3CC3)C[C@H]21 ZINC001042156122 1345958708 /nfs/dbraw/zinc/95/87/08/1345958708.db2.gz PZYIYIZJVWVICT-UKRRQHHQSA-N 1 2 349.862 3.149 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)c2ccccc2)CC1 ZINC001045349476 1346569425 /nfs/dbraw/zinc/56/94/25/1346569425.db2.gz KFEISWFAYMRREO-UHFFFAOYSA-N 1 2 337.261 3.180 20 30 EGEDLO C=CCOCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC=C(Cl)Cl)C1 ZINC001131939872 1375058043 /nfs/dbraw/zinc/05/80/43/1375058043.db2.gz WPYLJAUGWSTEOZ-KGLIPLIRSA-N 1 2 349.302 3.257 20 30 EGEDLO C=CCOCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC=C(Cl)Cl)C1 ZINC001131939872 1375058045 /nfs/dbraw/zinc/05/80/45/1375058045.db2.gz WPYLJAUGWSTEOZ-KGLIPLIRSA-N 1 2 349.302 3.257 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2(C(F)(F)F)CCC2)CC[C@H]1C ZINC001132131839 1375162733 /nfs/dbraw/zinc/16/27/33/1375162733.db2.gz KTWPFAVBCPASTH-NEPJUHHUSA-N 1 2 338.801 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2(C(F)(F)F)CCC2)CC[C@H]1C ZINC001132131839 1375162737 /nfs/dbraw/zinc/16/27/37/1375162737.db2.gz KTWPFAVBCPASTH-NEPJUHHUSA-N 1 2 338.801 3.441 20 30 EGEDLO Cc1cc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3C#N)C2)oc1C ZINC001046245085 1346907188 /nfs/dbraw/zinc/90/71/88/1346907188.db2.gz SJRGJTMJTCYHGD-FQEVSTJZSA-N 1 2 337.423 3.163 20 30 EGEDLO Cc1cc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3C#N)C2)oc1C ZINC001046245085 1346907190 /nfs/dbraw/zinc/90/71/90/1346907190.db2.gz SJRGJTMJTCYHGD-FQEVSTJZSA-N 1 2 337.423 3.163 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001046526948 1347004816 /nfs/dbraw/zinc/00/48/16/1347004816.db2.gz FFBDNPBPWNJFMC-GOSISDBHSA-N 1 2 331.847 3.423 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001046526948 1347004817 /nfs/dbraw/zinc/00/48/17/1347004817.db2.gz FFBDNPBPWNJFMC-GOSISDBHSA-N 1 2 331.847 3.423 20 30 EGEDLO C=C1CCC(C(=O)N[C@@]2(C)CC[N@@H+](Cc3nc(C)c(C)o3)C2)CC1 ZINC001046594956 1347031247 /nfs/dbraw/zinc/03/12/47/1347031247.db2.gz SSHQUAWEBYOBJD-IBGZPJMESA-N 1 2 331.460 3.118 20 30 EGEDLO C=C1CCC(C(=O)N[C@@]2(C)CC[N@H+](Cc3nc(C)c(C)o3)C2)CC1 ZINC001046594956 1347031250 /nfs/dbraw/zinc/03/12/50/1347031250.db2.gz SSHQUAWEBYOBJD-IBGZPJMESA-N 1 2 331.460 3.118 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046605916 1347036558 /nfs/dbraw/zinc/03/65/58/1347036558.db2.gz YLPZTMAWJYZLIH-LXGCGDOSSA-N 1 2 343.446 3.214 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046605916 1347036561 /nfs/dbraw/zinc/03/65/61/1347036561.db2.gz YLPZTMAWJYZLIH-LXGCGDOSSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cccc(N3CC=CC3)c2)C1 ZINC001046661977 1347054934 /nfs/dbraw/zinc/05/49/34/1347054934.db2.gz NMCJINDMQHGUOI-IBGZPJMESA-N 1 2 345.874 3.010 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cccc(N3CC=CC3)c2)C1 ZINC001046661977 1347054935 /nfs/dbraw/zinc/05/49/35/1347054935.db2.gz NMCJINDMQHGUOI-IBGZPJMESA-N 1 2 345.874 3.010 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001046693154 1347064529 /nfs/dbraw/zinc/06/45/29/1347064529.db2.gz OZEVMRNCDHDFHX-DAYGRLMNSA-N 1 2 336.838 3.262 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001046693154 1347064530 /nfs/dbraw/zinc/06/45/30/1347064530.db2.gz OZEVMRNCDHDFHX-DAYGRLMNSA-N 1 2 336.838 3.262 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001046811653 1347113251 /nfs/dbraw/zinc/11/32/51/1347113251.db2.gz QKOWSAVUOVGUMU-RDJZCZTQSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001046811653 1347113253 /nfs/dbraw/zinc/11/32/53/1347113253.db2.gz QKOWSAVUOVGUMU-RDJZCZTQSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2csc(CC(C)C)n2)C1 ZINC001046875631 1347141775 /nfs/dbraw/zinc/14/17/75/1347141775.db2.gz CEKACMBDUHRHDM-INIZCTEOSA-N 1 2 341.908 3.288 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2csc(CC(C)C)n2)C1 ZINC001046875631 1347141776 /nfs/dbraw/zinc/14/17/76/1347141776.db2.gz CEKACMBDUHRHDM-INIZCTEOSA-N 1 2 341.908 3.288 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCCCCOCC)CC[C@@H]1C ZINC001132529644 1375443128 /nfs/dbraw/zinc/44/31/28/1375443128.db2.gz PJUUHECHNURCTD-JKSUJKDBSA-N 1 2 330.900 3.305 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCCCCOCC)CC[C@@H]1C ZINC001132529644 1375443130 /nfs/dbraw/zinc/44/31/30/1375443130.db2.gz PJUUHECHNURCTD-JKSUJKDBSA-N 1 2 330.900 3.305 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC23CC3)C1 ZINC001046952380 1347161647 /nfs/dbraw/zinc/16/16/47/1347161647.db2.gz REFYPOWCYAGIPF-ZIAGYGMSSA-N 1 2 346.849 3.393 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC23CC3)C1 ZINC001046952380 1347161648 /nfs/dbraw/zinc/16/16/48/1347161648.db2.gz REFYPOWCYAGIPF-ZIAGYGMSSA-N 1 2 346.849 3.393 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001046958495 1347165292 /nfs/dbraw/zinc/16/52/92/1347165292.db2.gz ZEOUKDLSGWEDHX-MGPQQGTHSA-N 1 2 348.865 3.495 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001046958495 1347165294 /nfs/dbraw/zinc/16/52/94/1347165294.db2.gz ZEOUKDLSGWEDHX-MGPQQGTHSA-N 1 2 348.865 3.495 20 30 EGEDLO C=CCC1(C(=O)NC2CC[NH+](CC(=C)Br)CC2)CCC1 ZINC001229030783 1375746108 /nfs/dbraw/zinc/74/61/08/1375746108.db2.gz QMHZNSVGIAQBNY-UHFFFAOYSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ncc(CC)o1 ZINC001049692837 1347975614 /nfs/dbraw/zinc/97/56/14/1347975614.db2.gz IQSMHRVSRMSEEW-MBOZVWFJSA-N 1 2 345.487 3.405 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ncc(CC)o1 ZINC001049692837 1347975616 /nfs/dbraw/zinc/97/56/16/1347975616.db2.gz IQSMHRVSRMSEEW-MBOZVWFJSA-N 1 2 345.487 3.405 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1coc(C)n1 ZINC001049700585 1347979937 /nfs/dbraw/zinc/97/99/37/1347979937.db2.gz XJLHRNKYFBMNCA-ZIFCJYIRSA-N 1 2 331.460 3.151 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1coc(C)n1 ZINC001049700585 1347979938 /nfs/dbraw/zinc/97/99/38/1347979938.db2.gz XJLHRNKYFBMNCA-ZIFCJYIRSA-N 1 2 331.460 3.151 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3Cc2nccs2)C1 ZINC001049708240 1347984624 /nfs/dbraw/zinc/98/46/24/1347984624.db2.gz OQKUZPBZNRLUHA-HUUCEWRRSA-N 1 2 331.485 3.065 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3Cc2nccs2)C1 ZINC001049708240 1347984627 /nfs/dbraw/zinc/98/46/27/1347984627.db2.gz OQKUZPBZNRLUHA-HUUCEWRRSA-N 1 2 331.485 3.065 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1sccc1OC ZINC001049853355 1348059525 /nfs/dbraw/zinc/05/95/25/1348059525.db2.gz AADZVRDBGKYFBQ-CHWSQXEVSA-N 1 2 340.876 3.188 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1sccc1OC ZINC001049853355 1348059528 /nfs/dbraw/zinc/05/95/28/1348059528.db2.gz AADZVRDBGKYFBQ-CHWSQXEVSA-N 1 2 340.876 3.188 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1sc(C)nc1C ZINC001049887383 1348091276 /nfs/dbraw/zinc/09/12/76/1348091276.db2.gz WLMXOZSUYCVBGM-UONOGXRCSA-N 1 2 339.892 3.191 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1sc(C)nc1C ZINC001049887383 1348091278 /nfs/dbraw/zinc/09/12/78/1348091278.db2.gz WLMXOZSUYCVBGM-UONOGXRCSA-N 1 2 339.892 3.191 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(F)s1 ZINC001049926895 1348118133 /nfs/dbraw/zinc/11/81/33/1348118133.db2.gz SJHKOCJGZDRTOR-NWDGAFQWSA-N 1 2 328.840 3.319 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(F)s1 ZINC001049926895 1348118135 /nfs/dbraw/zinc/11/81/35/1348118135.db2.gz SJHKOCJGZDRTOR-NWDGAFQWSA-N 1 2 328.840 3.319 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccoc3Cl)[C@@H]2C1 ZINC001050032343 1348160359 /nfs/dbraw/zinc/16/03/59/1348160359.db2.gz RPSKVTBHCCZIQH-WCQYABFASA-N 1 2 329.227 3.222 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)c3ccoc3Cl)[C@@H]2C1 ZINC001050032343 1348160361 /nfs/dbraw/zinc/16/03/61/1348160361.db2.gz RPSKVTBHCCZIQH-WCQYABFASA-N 1 2 329.227 3.222 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3occc3Cl)[C@@H]2C1 ZINC001050135508 1348193322 /nfs/dbraw/zinc/19/33/22/1348193322.db2.gz NLOSUZDZBAPLDU-WCQYABFASA-N 1 2 329.227 3.222 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)c3occc3Cl)[C@@H]2C1 ZINC001050135508 1348193323 /nfs/dbraw/zinc/19/33/23/1348193323.db2.gz NLOSUZDZBAPLDU-WCQYABFASA-N 1 2 329.227 3.222 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[NH+]([C@@H](C)c1csnn1)CC2 ZINC001050651916 1348317143 /nfs/dbraw/zinc/31/71/43/1348317143.db2.gz WWSPRMRIDIREEN-YOEHRIQHSA-N 1 2 348.516 3.126 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1C(C)(C)CC ZINC001050971873 1348378377 /nfs/dbraw/zinc/37/83/77/1348378377.db2.gz AOGQMVVBMDJCPD-KRWDZBQOSA-N 1 2 344.499 3.381 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1C(C)(C)CC ZINC001050971873 1348378379 /nfs/dbraw/zinc/37/83/79/1348378379.db2.gz AOGQMVVBMDJCPD-KRWDZBQOSA-N 1 2 344.499 3.381 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(CC)c(C)s1 ZINC001051239030 1348407830 /nfs/dbraw/zinc/40/78/30/1348407830.db2.gz GDZBGXBVDIQLAO-MRXNPFEDSA-N 1 2 336.501 3.016 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(CC)c(C)s1 ZINC001051239030 1348407833 /nfs/dbraw/zinc/40/78/33/1348407833.db2.gz GDZBGXBVDIQLAO-MRXNPFEDSA-N 1 2 336.501 3.016 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc(CC(C)C)s1)CCO2 ZINC001053290637 1348993445 /nfs/dbraw/zinc/99/34/45/1348993445.db2.gz SYHYVIMNRHRTAE-UHFFFAOYSA-N 1 2 348.512 3.050 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc(C)c(Cl)cc1C)CCO2 ZINC001053370607 1349012135 /nfs/dbraw/zinc/01/21/35/1349012135.db2.gz NXWWZPTUJBUVIF-UHFFFAOYSA-N 1 2 348.874 3.060 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CC(C1CCC1)C1CCC1)CCO2 ZINC001053429909 1349030924 /nfs/dbraw/zinc/03/09/24/1349030924.db2.gz CJCYQTWUULWNIQ-UHFFFAOYSA-N 1 2 346.515 3.082 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCC3(C[NH+](CC=C(C)C)C3)O2)CC1 ZINC001053657697 1349087855 /nfs/dbraw/zinc/08/78/55/1349087855.db2.gz LHQXIOMWPXJUDJ-SFHVURJKSA-N 1 2 332.488 3.049 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H]1CCCCC1(C)C)CO2 ZINC001054023988 1349131143 /nfs/dbraw/zinc/13/11/43/1349131143.db2.gz FRWAWMDIMMXCFR-IAGOWNOFSA-N 1 2 334.504 3.129 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(C)ccc1C ZINC001054059093 1349140900 /nfs/dbraw/zinc/14/09/00/1349140900.db2.gz GMPCFOATOMEDTI-FQEVSTJZSA-N 1 2 332.447 3.093 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(C)ccc1C ZINC001054059093 1349140904 /nfs/dbraw/zinc/14/09/04/1349140904.db2.gz GMPCFOATOMEDTI-FQEVSTJZSA-N 1 2 332.447 3.093 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)C3C4CC5CC(C4)CC3C5)cc2C1 ZINC001054268363 1349267229 /nfs/dbraw/zinc/26/72/29/1349267229.db2.gz WBEROPWCIUECDI-UHFFFAOYSA-N 1 2 348.490 3.324 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)C3C4CC5CC(C4)CC3C5)cc2C1 ZINC001054268363 1349267231 /nfs/dbraw/zinc/26/72/31/1349267231.db2.gz WBEROPWCIUECDI-UHFFFAOYSA-N 1 2 348.490 3.324 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc(OCC=C)cc3)cc2C1 ZINC001054271447 1349271103 /nfs/dbraw/zinc/27/11/03/1349271103.db2.gz OSLVQFVWKKQFJC-UHFFFAOYSA-N 1 2 346.430 3.130 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc(OCC=C)cc3)cc2C1 ZINC001054271447 1349271110 /nfs/dbraw/zinc/27/11/10/1349271110.db2.gz OSLVQFVWKKQFJC-UHFFFAOYSA-N 1 2 346.430 3.130 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cccc4ncccc43)cc2C1 ZINC001054276590 1349277255 /nfs/dbraw/zinc/27/72/55/1349277255.db2.gz KPQOUXMTJYGYPL-UHFFFAOYSA-N 1 2 341.414 3.114 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cccc4ncccc43)cc2C1 ZINC001054276590 1349277256 /nfs/dbraw/zinc/27/72/56/1349277256.db2.gz KPQOUXMTJYGYPL-UHFFFAOYSA-N 1 2 341.414 3.114 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc4ncccc4c3)cc2C1 ZINC001054279787 1349281408 /nfs/dbraw/zinc/28/14/08/1349281408.db2.gz NLGBWVUSHYRZMB-UHFFFAOYSA-N 1 2 341.414 3.114 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc4ncccc4c3)cc2C1 ZINC001054279787 1349281414 /nfs/dbraw/zinc/28/14/14/1349281414.db2.gz NLGBWVUSHYRZMB-UHFFFAOYSA-N 1 2 341.414 3.114 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2C1 ZINC001054290763 1349296052 /nfs/dbraw/zinc/29/60/52/1349296052.db2.gz KYVPXQXTUXWLDC-UHFFFAOYSA-N 1 2 348.490 3.468 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2C1 ZINC001054290763 1349296055 /nfs/dbraw/zinc/29/60/55/1349296055.db2.gz KYVPXQXTUXWLDC-UHFFFAOYSA-N 1 2 348.490 3.468 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc4ccccc4[nH]3)cc2C1 ZINC001054291199 1349296119 /nfs/dbraw/zinc/29/61/19/1349296119.db2.gz AQDUAWQTIBIPCM-UHFFFAOYSA-N 1 2 329.403 3.047 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc4ccccc4[nH]3)cc2C1 ZINC001054291199 1349296122 /nfs/dbraw/zinc/29/61/22/1349296122.db2.gz AQDUAWQTIBIPCM-UHFFFAOYSA-N 1 2 329.403 3.047 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc(Cl)s3)cc2C1 ZINC001054291409 1349297247 /nfs/dbraw/zinc/29/72/47/1349297247.db2.gz MOBFYPRUOSEEDV-UHFFFAOYSA-N 1 2 330.840 3.280 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc(Cl)s3)cc2C1 ZINC001054291409 1349297252 /nfs/dbraw/zinc/29/72/52/1349297252.db2.gz MOBFYPRUOSEEDV-UHFFFAOYSA-N 1 2 330.840 3.280 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001056767706 1349934206 /nfs/dbraw/zinc/93/42/06/1349934206.db2.gz KEAFSWANIQGCKS-FOIQADDNSA-N 1 2 342.487 3.279 20 30 EGEDLO C=C[C@@H](C(=O)N1CCC[C@H](Nc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001057654067 1350101777 /nfs/dbraw/zinc/10/17/77/1350101777.db2.gz AGLLTAMXKBWISP-ZWKOTPCHSA-N 1 2 336.439 3.158 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@@H]1CCC1(C)C ZINC001080286179 1357553924 /nfs/dbraw/zinc/55/39/24/1357553924.db2.gz CRGPOFUCFXFSAO-JEBQAFNWSA-N 1 2 343.446 3.070 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@@H]1CCC1(C)C ZINC001080286179 1357553925 /nfs/dbraw/zinc/55/39/25/1357553925.db2.gz CRGPOFUCFXFSAO-JEBQAFNWSA-N 1 2 343.446 3.070 20 30 EGEDLO C=C[C@@H](C(=O)N1CC[C@@H](CNc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001060882499 1351165174 /nfs/dbraw/zinc/16/51/74/1351165174.db2.gz KDAXKZCVEHFCLC-FUHWJXTLSA-N 1 2 336.439 3.015 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@H](Nc3cc[nH+]c(C)n3)[C@H](CC)C2)C1 ZINC001064415656 1352573987 /nfs/dbraw/zinc/57/39/87/1352573987.db2.gz XXKSDLHCTMXTCZ-CVEARBPZSA-N 1 2 328.460 3.180 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(OCC)c(C)c2)C1 ZINC001080545024 1357670465 /nfs/dbraw/zinc/67/04/65/1357670465.db2.gz MBRRNJSMJHQNOD-CZUORRHYSA-N 1 2 336.863 3.196 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(OCC)c(C)c2)C1 ZINC001080545024 1357670469 /nfs/dbraw/zinc/67/04/69/1357670469.db2.gz MBRRNJSMJHQNOD-CZUORRHYSA-N 1 2 336.863 3.196 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(C(CC)CC)n2)C1 ZINC001080555852 1357676564 /nfs/dbraw/zinc/67/65/64/1357676564.db2.gz PSKYASMEKZOCQE-MLGOLLRUSA-N 1 2 338.883 3.047 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(C(CC)CC)n2)C1 ZINC001080555852 1357676566 /nfs/dbraw/zinc/67/65/66/1357676566.db2.gz PSKYASMEKZOCQE-MLGOLLRUSA-N 1 2 338.883 3.047 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(F)c3ncccc3c2)C1 ZINC001080626222 1357706529 /nfs/dbraw/zinc/70/65/29/1357706529.db2.gz GPERJHUKQWYTHP-BDJLRTHQSA-N 1 2 347.821 3.177 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(F)c3ncccc3c2)C1 ZINC001080626222 1357706532 /nfs/dbraw/zinc/70/65/32/1357706532.db2.gz GPERJHUKQWYTHP-BDJLRTHQSA-N 1 2 347.821 3.177 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3scnc3c2)C1 ZINC001080707755 1357723989 /nfs/dbraw/zinc/72/39/89/1357723989.db2.gz YWWJPXAMNKHYLA-QMTHXVAHSA-N 1 2 335.860 3.099 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3scnc3c2)C1 ZINC001080707755 1357723991 /nfs/dbraw/zinc/72/39/91/1357723991.db2.gz YWWJPXAMNKHYLA-QMTHXVAHSA-N 1 2 335.860 3.099 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@@H](Nc3cc[nH+]c(C)n3)[C@@H]2C1 ZINC001069316402 1354000058 /nfs/dbraw/zinc/00/00/58/1354000058.db2.gz SFBCCOPYMOCRGD-ARFHVFGLSA-N 1 2 328.460 3.036 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC(n2ncc3c2C[N@H+](CCCC)C3)CC1 ZINC001070347960 1354326852 /nfs/dbraw/zinc/32/68/52/1354326852.db2.gz XBEINXXOQUPHAW-UHFFFAOYSA-N 1 2 344.503 3.375 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC(n2ncc3c2C[N@@H+](CCCC)C3)CC1 ZINC001070347960 1354326856 /nfs/dbraw/zinc/32/68/56/1354326856.db2.gz XBEINXXOQUPHAW-UHFFFAOYSA-N 1 2 344.503 3.375 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@H]1CCC(F)(F)C1 ZINC001085632735 1358648295 /nfs/dbraw/zinc/64/82/95/1358648295.db2.gz CLOIQGJFVIWUHP-WMLDXEAASA-N 1 2 347.409 3.026 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@H]1CCC(F)(F)C1 ZINC001085632735 1358648296 /nfs/dbraw/zinc/64/82/96/1358648296.db2.gz CLOIQGJFVIWUHP-WMLDXEAASA-N 1 2 347.409 3.026 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)C(C)C)C[C@@H](C)O2 ZINC001071169182 1354486285 /nfs/dbraw/zinc/48/62/85/1354486285.db2.gz NKJGQWLMSIOMTA-CRAIPNDOSA-N 1 2 342.911 3.113 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)C(C)C)C[C@@H](C)O2 ZINC001071169182 1354486288 /nfs/dbraw/zinc/48/62/88/1354486288.db2.gz NKJGQWLMSIOMTA-CRAIPNDOSA-N 1 2 342.911 3.113 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1)C(=O)c1occc1Cl ZINC001085802632 1358778458 /nfs/dbraw/zinc/77/84/58/1358778458.db2.gz YIOXKJPBKBYGIO-HNNXBMFYSA-N 1 2 343.814 3.151 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1)C(=O)c1occc1Cl ZINC001085802632 1358778460 /nfs/dbraw/zinc/77/84/60/1358778460.db2.gz YIOXKJPBKBYGIO-HNNXBMFYSA-N 1 2 343.814 3.151 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)c2ccco2)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001071312522 1354572434 /nfs/dbraw/zinc/57/24/34/1354572434.db2.gz LSLJMEATHMQJDS-XJKSGUPXSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)c2ccco2)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001071312522 1354572437 /nfs/dbraw/zinc/57/24/37/1354572437.db2.gz LSLJMEATHMQJDS-XJKSGUPXSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)c2ccsc2)C[N@@H+]1Cc1ccccc1C#N ZINC001071335027 1354602004 /nfs/dbraw/zinc/60/20/04/1354602004.db2.gz PGVCYCWEKBDTSO-RDTXWAMCSA-N 1 2 339.464 3.403 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)c2ccsc2)C[N@H+]1Cc1ccccc1C#N ZINC001071335027 1354602009 /nfs/dbraw/zinc/60/20/09/1354602009.db2.gz PGVCYCWEKBDTSO-RDTXWAMCSA-N 1 2 339.464 3.403 20 30 EGEDLO Cc1occc1C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001071340275 1354605986 /nfs/dbraw/zinc/60/59/86/1354605986.db2.gz MGYHDXKJAPZKCM-KSSFIOAISA-N 1 2 337.423 3.243 20 30 EGEDLO Cc1occc1C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001071340275 1354605991 /nfs/dbraw/zinc/60/59/91/1354605991.db2.gz MGYHDXKJAPZKCM-KSSFIOAISA-N 1 2 337.423 3.243 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)c2ccoc2)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001071349741 1354616623 /nfs/dbraw/zinc/61/66/23/1354616623.db2.gz LIMLFBBUDCWKAW-SUMWQHHRSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)c2ccoc2)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001071349741 1354616625 /nfs/dbraw/zinc/61/66/25/1354616625.db2.gz LIMLFBBUDCWKAW-SUMWQHHRSA-N 1 2 341.386 3.073 20 30 EGEDLO Cc1cnccc1C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001071494741 1354727221 /nfs/dbraw/zinc/72/72/21/1354727221.db2.gz XFNXUKQDOIPYOV-QFBILLFUSA-N 1 2 348.450 3.045 20 30 EGEDLO Cc1cnccc1C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001071494741 1354727226 /nfs/dbraw/zinc/72/72/26/1354727226.db2.gz XFNXUKQDOIPYOV-QFBILLFUSA-N 1 2 348.450 3.045 20 30 EGEDLO CC#CC[N@H+]1C[C@H](NC(=O)c2snc(Cl)c2Cl)CC[C@H]1C ZINC001071536199 1354752178 /nfs/dbraw/zinc/75/21/78/1354752178.db2.gz DLJFBWPSZAPEBL-NXEZZACHSA-N 1 2 346.283 3.056 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2c(F)cccc2OC)CC[C@@H]1C ZINC001071528006 1354748260 /nfs/dbraw/zinc/74/82/60/1354748260.db2.gz MRYNHCQAOPVBEM-STQMWFEESA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2c(F)cccc2OC)CC[C@@H]1C ZINC001071528006 1354748262 /nfs/dbraw/zinc/74/82/62/1354748262.db2.gz MRYNHCQAOPVBEM-STQMWFEESA-N 1 2 340.826 3.170 20 30 EGEDLO CC#CC[N@@H+]1C[C@H](NC(=O)c2snc(Cl)c2Cl)CC[C@H]1C ZINC001071536199 1354752177 /nfs/dbraw/zinc/75/21/77/1354752177.db2.gz DLJFBWPSZAPEBL-NXEZZACHSA-N 1 2 346.283 3.056 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccsc2COC)CC[C@H]1C ZINC001071608660 1354794368 /nfs/dbraw/zinc/79/43/68/1354794368.db2.gz CKVSLQGEXWCNBX-OLZOCXBDSA-N 1 2 342.892 3.230 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccsc2COC)CC[C@H]1C ZINC001071608660 1354794371 /nfs/dbraw/zinc/79/43/71/1354794371.db2.gz CKVSLQGEXWCNBX-OLZOCXBDSA-N 1 2 342.892 3.230 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccnc(C3CC3)c2)CC[C@@H]1C ZINC001071652904 1354828262 /nfs/dbraw/zinc/82/82/62/1354828262.db2.gz QGNUPGSAPNFZQQ-BBRMVZONSA-N 1 2 333.863 3.294 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccnc(C3CC3)c2)CC[C@@H]1C ZINC001071652904 1354828266 /nfs/dbraw/zinc/82/82/66/1354828266.db2.gz QGNUPGSAPNFZQQ-BBRMVZONSA-N 1 2 333.863 3.294 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cccnc2C(F)F)CC[C@H]1C ZINC001071674123 1354843059 /nfs/dbraw/zinc/84/30/59/1354843059.db2.gz OTTBTXABZXJTIJ-NEPJUHHUSA-N 1 2 343.805 3.354 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cccnc2C(F)F)CC[C@H]1C ZINC001071674123 1354843063 /nfs/dbraw/zinc/84/30/63/1354843063.db2.gz OTTBTXABZXJTIJ-NEPJUHHUSA-N 1 2 343.805 3.354 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2c(F)cccc2F)CC[C@H]1C ZINC001071772596 1354919249 /nfs/dbraw/zinc/91/92/49/1354919249.db2.gz NEXSHJNQDUMQGS-OLZOCXBDSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2c(F)cccc2F)CC[C@H]1C ZINC001071772596 1354919253 /nfs/dbraw/zinc/91/92/53/1354919253.db2.gz NEXSHJNQDUMQGS-OLZOCXBDSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc3n(c2)CCCC3)CC[C@@H]1C ZINC001072130695 1355146025 /nfs/dbraw/zinc/14/60/25/1355146025.db2.gz XNUAOXWOOPSFLQ-HOCLYGCPSA-N 1 2 335.879 3.160 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc3n(c2)CCCC3)CC[C@@H]1C ZINC001072130695 1355146028 /nfs/dbraw/zinc/14/60/28/1355146028.db2.gz XNUAOXWOOPSFLQ-HOCLYGCPSA-N 1 2 335.879 3.160 20 30 EGEDLO C=CCCC(=O)NC1(C)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001073186808 1355643998 /nfs/dbraw/zinc/64/39/98/1355643998.db2.gz BYGSJRKHONNHNA-UHFFFAOYSA-N 1 2 343.471 3.084 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001080815187 1357741706 /nfs/dbraw/zinc/74/17/06/1357741706.db2.gz FTPYSKWHQOCDHH-QHSBEEBCSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001080815187 1357741708 /nfs/dbraw/zinc/74/17/08/1357741708.db2.gz FTPYSKWHQOCDHH-QHSBEEBCSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001073906004 1355950712 /nfs/dbraw/zinc/95/07/12/1355950712.db2.gz QHZUVBCSSIMTDZ-HZPDHXFCSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001073906004 1355950713 /nfs/dbraw/zinc/95/07/13/1355950713.db2.gz QHZUVBCSSIMTDZ-HZPDHXFCSA-N 1 2 342.911 3.162 20 30 EGEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(C)C)s3)C[C@@H]21 ZINC001074415053 1356196132 /nfs/dbraw/zinc/19/61/32/1356196132.db2.gz JSTBYZNVOHMBLQ-HOTGVXAUSA-N 1 2 348.512 3.363 20 30 EGEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(C)C)s3)C[C@@H]21 ZINC001074415053 1356196134 /nfs/dbraw/zinc/19/61/34/1356196134.db2.gz JSTBYZNVOHMBLQ-HOTGVXAUSA-N 1 2 348.512 3.363 20 30 EGEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3sccc3C(C)C)C[C@H]21 ZINC001074413507 1356196278 /nfs/dbraw/zinc/19/62/78/1356196278.db2.gz UYDYKDSTWFEBCS-IAGOWNOFSA-N 1 2 348.512 3.363 20 30 EGEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3sccc3C(C)C)C[C@H]21 ZINC001074413507 1356196280 /nfs/dbraw/zinc/19/62/80/1356196280.db2.gz UYDYKDSTWFEBCS-IAGOWNOFSA-N 1 2 348.512 3.363 20 30 EGEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3sccc3C(C)C)C[C@H]21 ZINC001074413509 1356196602 /nfs/dbraw/zinc/19/66/02/1356196602.db2.gz UYDYKDSTWFEBCS-SJORKVTESA-N 1 2 348.512 3.363 20 30 EGEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3sccc3C(C)C)C[C@H]21 ZINC001074413509 1356196606 /nfs/dbraw/zinc/19/66/06/1356196606.db2.gz UYDYKDSTWFEBCS-SJORKVTESA-N 1 2 348.512 3.363 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c(o3)CCCC4)[C@@H]2C1 ZINC001075871726 1356436153 /nfs/dbraw/zinc/43/61/53/1356436153.db2.gz MAZOIWHDXWVHKJ-LSDHHAIUSA-N 1 2 334.847 3.057 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c(o3)CCCC4)[C@@H]2C1 ZINC001075871726 1356436154 /nfs/dbraw/zinc/43/61/54/1356436154.db2.gz MAZOIWHDXWVHKJ-LSDHHAIUSA-N 1 2 334.847 3.057 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(F)c(Cl)c3)[C@@H]2C1 ZINC001076193745 1356517079 /nfs/dbraw/zinc/51/70/79/1356517079.db2.gz OQEFODPQSGDMFV-SWLSCSKDSA-N 1 2 343.229 3.378 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(F)c(Cl)c3)[C@@H]2C1 ZINC001076193745 1356517080 /nfs/dbraw/zinc/51/70/80/1356517080.db2.gz OQEFODPQSGDMFV-SWLSCSKDSA-N 1 2 343.229 3.378 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)OCC1CC1 ZINC001098952624 1363538107 /nfs/dbraw/zinc/53/81/07/1363538107.db2.gz KERJMVDCNYVNAD-HOCLYGCPSA-N 1 2 342.911 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)OCC1CC1 ZINC001098952624 1363538113 /nfs/dbraw/zinc/53/81/13/1363538113.db2.gz KERJMVDCNYVNAD-HOCLYGCPSA-N 1 2 342.911 3.161 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001077775709 1356839759 /nfs/dbraw/zinc/83/97/59/1356839759.db2.gz KOALLXTYJGLSNJ-AWEZNQCLSA-N 1 2 345.487 3.234 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)c(CC)s2)C1 ZINC001080905773 1357763472 /nfs/dbraw/zinc/76/34/72/1357763472.db2.gz RQOVDZPBQINIJV-DGCLKSJQSA-N 1 2 326.893 3.422 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)c(CC)s2)C1 ZINC001080905773 1357763473 /nfs/dbraw/zinc/76/34/73/1357763473.db2.gz RQOVDZPBQINIJV-DGCLKSJQSA-N 1 2 326.893 3.422 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001080971095 1357772659 /nfs/dbraw/zinc/77/26/59/1357772659.db2.gz IQUZZCSSVPNVLK-RSAASHCRSA-N 1 2 342.817 3.257 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001080971095 1357772671 /nfs/dbraw/zinc/77/26/71/1357772671.db2.gz IQUZZCSSVPNVLK-RSAASHCRSA-N 1 2 342.817 3.257 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC(c4ccccc4)(C2)C3)C1 ZINC001081014218 1357780598 /nfs/dbraw/zinc/78/05/98/1357780598.db2.gz YUUYBUYCOWYLHQ-VTZLJADTSA-N 1 2 344.886 3.297 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC(c4ccccc4)(C2)C3)C1 ZINC001081014218 1357780603 /nfs/dbraw/zinc/78/06/03/1357780603.db2.gz YUUYBUYCOWYLHQ-VTZLJADTSA-N 1 2 344.886 3.297 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001081025012 1357785193 /nfs/dbraw/zinc/78/51/93/1357785193.db2.gz XEEULZSUBKCDMP-XVSDVWIESA-N 1 2 332.875 3.080 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001081025012 1357785197 /nfs/dbraw/zinc/78/51/97/1357785197.db2.gz XEEULZSUBKCDMP-XVSDVWIESA-N 1 2 332.875 3.080 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc3c2OCC3(C)C)C1 ZINC001081057424 1357803761 /nfs/dbraw/zinc/80/37/61/1357803761.db2.gz NGDVJBXOAUVRSP-MLGOLLRUSA-N 1 2 348.874 3.159 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc3c2OCC3(C)C)C1 ZINC001081057424 1357803763 /nfs/dbraw/zinc/80/37/63/1357803763.db2.gz NGDVJBXOAUVRSP-MLGOLLRUSA-N 1 2 348.874 3.159 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@H]3CC[N@@H+]([C@@H](C)c4ncc(C)o4)C[C@H]32)CC1 ZINC001084634395 1358262682 /nfs/dbraw/zinc/26/26/82/1358262682.db2.gz ONANICHSYAJHRM-CGTJXYLNSA-N 1 2 343.471 3.323 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@H]3CC[N@H+]([C@@H](C)c4ncc(C)o4)C[C@H]32)CC1 ZINC001084634395 1358262686 /nfs/dbraw/zinc/26/26/86/1358262686.db2.gz ONANICHSYAJHRM-CGTJXYLNSA-N 1 2 343.471 3.323 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4c3CCC4)[C@@H]2C1 ZINC001084862993 1358334028 /nfs/dbraw/zinc/33/40/28/1358334028.db2.gz OVCBXCVQSDKHEU-CRAIPNDOSA-N 1 2 330.859 3.074 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4c3CCC4)[C@@H]2C1 ZINC001084862993 1358334029 /nfs/dbraw/zinc/33/40/29/1358334029.db2.gz OVCBXCVQSDKHEU-CRAIPNDOSA-N 1 2 330.859 3.074 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F)C(=O)C1CCCCC1 ZINC001085462170 1358516872 /nfs/dbraw/zinc/51/68/72/1358516872.db2.gz YHFUUICCEQKZFY-SFHVURJKSA-N 1 2 343.446 3.310 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1F)C(=O)C1CCCCC1 ZINC001085462170 1358516875 /nfs/dbraw/zinc/51/68/75/1358516875.db2.gz YHFUUICCEQKZFY-SFHVURJKSA-N 1 2 343.446 3.310 20 30 EGEDLO C=CCOc1ccccc1C(=O)N(C)C[C@H]1CC[N@@H+]1C/C=C/Cl ZINC001085678235 1358682172 /nfs/dbraw/zinc/68/21/72/1358682172.db2.gz DUQNWPTYJFUOMW-WCLQSUPFSA-N 1 2 334.847 3.150 20 30 EGEDLO C=CCOc1ccccc1C(=O)N(C)C[C@H]1CC[N@H+]1C/C=C/Cl ZINC001085678235 1358682175 /nfs/dbraw/zinc/68/21/75/1358682175.db2.gz DUQNWPTYJFUOMW-WCLQSUPFSA-N 1 2 334.847 3.150 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CCC2)C1 ZINC001183830324 1387355294 /nfs/dbraw/zinc/35/52/94/1387355294.db2.gz DGFNFALCGNHKPI-LJQANCHMSA-N 1 2 337.467 3.315 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CCC2)C1 ZINC001183830324 1387355299 /nfs/dbraw/zinc/35/52/99/1387355299.db2.gz DGFNFALCGNHKPI-LJQANCHMSA-N 1 2 337.467 3.315 20 30 EGEDLO C#CC1(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)CCCCC1 ZINC001183841631 1387357768 /nfs/dbraw/zinc/35/77/68/1387357768.db2.gz NZAAXDWTQNKZOR-FQEVSTJZSA-N 1 2 349.478 3.365 20 30 EGEDLO C#CC1(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)CCCCC1 ZINC001183841631 1387357774 /nfs/dbraw/zinc/35/77/74/1387357774.db2.gz NZAAXDWTQNKZOR-FQEVSTJZSA-N 1 2 349.478 3.365 20 30 EGEDLO CCc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccccc2C#N)cc1 ZINC001085955866 1358911631 /nfs/dbraw/zinc/91/16/31/1358911631.db2.gz MNCBPSLXXSJBET-NRFANRHFSA-N 1 2 347.462 3.467 20 30 EGEDLO CCc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccccc2C#N)cc1 ZINC001085955866 1358911633 /nfs/dbraw/zinc/91/16/33/1358911633.db2.gz MNCBPSLXXSJBET-NRFANRHFSA-N 1 2 347.462 3.467 20 30 EGEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2cccc(Cl)c2o1 ZINC001086005871 1358959054 /nfs/dbraw/zinc/95/90/54/1358959054.db2.gz QDGAOKHDZOUNNQ-AWEZNQCLSA-N 1 2 330.815 3.256 20 30 EGEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2cccc(Cl)c2o1 ZINC001086005871 1358959057 /nfs/dbraw/zinc/95/90/57/1358959057.db2.gz QDGAOKHDZOUNNQ-AWEZNQCLSA-N 1 2 330.815 3.256 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccnc2)C1 ZINC001086568583 1359150215 /nfs/dbraw/zinc/15/02/15/1359150215.db2.gz KVGCIVDPAFKRPV-ZWKOTPCHSA-N 1 2 341.842 3.032 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccnc2)C1 ZINC001086568583 1359150217 /nfs/dbraw/zinc/15/02/17/1359150217.db2.gz KVGCIVDPAFKRPV-ZWKOTPCHSA-N 1 2 341.842 3.032 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2[nH]ccc2C)C1 ZINC001086586417 1359156478 /nfs/dbraw/zinc/15/64/78/1359156478.db2.gz SCWUZYDXGSBQRI-DLBZAZTESA-N 1 2 343.858 3.273 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2[nH]ccc2C)C1 ZINC001086586417 1359156480 /nfs/dbraw/zinc/15/64/80/1359156480.db2.gz SCWUZYDXGSBQRI-DLBZAZTESA-N 1 2 343.858 3.273 20 30 EGEDLO COc1cc(C(=O)/C=C\c2ccc[nH+]c2N(C)C)cc(OC)c1OC ZINC001323545744 1387385049 /nfs/dbraw/zinc/38/50/49/1387385049.db2.gz QDXKSUAWNLTWFE-HJWRWDBZSA-N 1 2 342.395 3.070 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)C2=CCCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087540180 1359521940 /nfs/dbraw/zinc/52/19/40/1359521940.db2.gz GQZBTGUPDJTCGD-RBUKOAKNSA-N 1 2 341.430 3.277 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)C2=CCCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087540180 1359521941 /nfs/dbraw/zinc/52/19/41/1359521941.db2.gz GQZBTGUPDJTCGD-RBUKOAKNSA-N 1 2 341.430 3.277 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cc(C)on3)[C@@H]2CC)CC1 ZINC001087713843 1359605813 /nfs/dbraw/zinc/60/58/13/1359605813.db2.gz NTBXATAWDXNFEQ-ZWKOTPCHSA-N 1 2 331.460 3.199 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C)on3)[C@@H]2CC)CC1 ZINC001087713843 1359605819 /nfs/dbraw/zinc/60/58/19/1359605819.db2.gz NTBXATAWDXNFEQ-ZWKOTPCHSA-N 1 2 331.460 3.199 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C4CC4)o3)[C@@H]2CC)C1 ZINC001087714388 1359606726 /nfs/dbraw/zinc/60/67/26/1359606726.db2.gz KRZAIIIKGPLDPZ-JKSUJKDBSA-N 1 2 343.471 3.377 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C4CC4)o3)[C@@H]2CC)C1 ZINC001087714388 1359606729 /nfs/dbraw/zinc/60/67/29/1359606729.db2.gz KRZAIIIKGPLDPZ-JKSUJKDBSA-N 1 2 343.471 3.377 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2sccc2OC)[C@H]1CC ZINC001087803850 1359653864 /nfs/dbraw/zinc/65/38/64/1359653864.db2.gz UPFZTEVFBJEFTA-NWDGAFQWSA-N 1 2 328.865 3.092 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2sccc2OC)[C@H]1CC ZINC001087803850 1359653867 /nfs/dbraw/zinc/65/38/67/1359653867.db2.gz UPFZTEVFBJEFTA-NWDGAFQWSA-N 1 2 328.865 3.092 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCCCC[C@@H]([NH2+][C@H](C)c2noc(C)n2)C1 ZINC001088360261 1359844011 /nfs/dbraw/zinc/84/40/11/1359844011.db2.gz UUUFSVYUCQGXJV-UKRRQHHQSA-N 1 2 334.464 3.012 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCCCC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001088374202 1359855714 /nfs/dbraw/zinc/85/57/14/1359855714.db2.gz AZEPVNCBSNSOGB-RHSMWYFYSA-N 1 2 336.505 3.001 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2sccc2C)[C@H]1C ZINC001088563873 1359974364 /nfs/dbraw/zinc/97/43/64/1359974364.db2.gz KSWGYWNBMJSWOF-TUVASFSCSA-N 1 2 338.904 3.492 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2sccc2C)[C@H]1C ZINC001088563873 1359974368 /nfs/dbraw/zinc/97/43/68/1359974368.db2.gz KSWGYWNBMJSWOF-TUVASFSCSA-N 1 2 338.904 3.492 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(C)(C)C)cn2)[C@H]1C ZINC001088575491 1359977743 /nfs/dbraw/zinc/97/77/43/1359977743.db2.gz TVKIYIAUMYNXBK-HIFRSBDPSA-N 1 2 335.879 3.324 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(C)(C)C)cn2)[C@H]1C ZINC001088575491 1359977745 /nfs/dbraw/zinc/97/77/45/1359977745.db2.gz TVKIYIAUMYNXBK-HIFRSBDPSA-N 1 2 335.879 3.324 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ncoc2-c2ccccc2)[C@H]1C ZINC001088605717 1359988953 /nfs/dbraw/zinc/98/89/53/1359988953.db2.gz DCNSSWNBZAPMNT-HIFRSBDPSA-N 1 2 345.830 3.287 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ncoc2-c2ccccc2)[C@H]1C ZINC001088605717 1359988956 /nfs/dbraw/zinc/98/89/56/1359988956.db2.gz DCNSSWNBZAPMNT-HIFRSBDPSA-N 1 2 345.830 3.287 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)c(Cl)[nH]2)[C@H]1C ZINC001088781798 1360042982 /nfs/dbraw/zinc/04/29/82/1360042982.db2.gz ICJJBWBSANINCK-SCZZXKLOSA-N 1 2 336.650 3.267 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2(C)CCCC2)[C@H]1C ZINC001088779387 1360041183 /nfs/dbraw/zinc/04/11/83/1360041183.db2.gz CPXFMTZZUBPUPB-OLZOCXBDSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2(C)CCCC2)[C@H]1C ZINC001088779387 1360041187 /nfs/dbraw/zinc/04/11/87/1360041187.db2.gz CPXFMTZZUBPUPB-OLZOCXBDSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(Cl)c(Cl)[nH]2)[C@H]1C ZINC001088781798 1360042978 /nfs/dbraw/zinc/04/29/78/1360042978.db2.gz ICJJBWBSANINCK-SCZZXKLOSA-N 1 2 336.650 3.267 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3cc(O)ccc3Cl)[C@@H]2C)C1 ZINC001088844546 1360078766 /nfs/dbraw/zinc/07/87/66/1360078766.db2.gz VQNWEAZJJUUHCZ-DYVFJYSZSA-N 1 2 348.874 3.481 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3cc(O)ccc3Cl)[C@@H]2C)C1 ZINC001088844546 1360078772 /nfs/dbraw/zinc/07/87/72/1360078772.db2.gz VQNWEAZJJUUHCZ-DYVFJYSZSA-N 1 2 348.874 3.481 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccc2OC(C)C)[C@H]1C ZINC001088995788 1360128989 /nfs/dbraw/zinc/12/89/89/1360128989.db2.gz LMMOOIRDAXYRPD-ZBFHGGJFSA-N 1 2 336.863 3.419 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2OC(C)C)[C@H]1C ZINC001088995788 1360128993 /nfs/dbraw/zinc/12/89/93/1360128993.db2.gz LMMOOIRDAXYRPD-ZBFHGGJFSA-N 1 2 336.863 3.419 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(N(C)C(C)C)cc2)[C@H]1C ZINC001089073397 1360159545 /nfs/dbraw/zinc/15/95/45/1360159545.db2.gz BSZQQPUYYRXDCI-QAPCUYQASA-N 1 2 349.906 3.476 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(N(C)C(C)C)cc2)[C@H]1C ZINC001089073397 1360159548 /nfs/dbraw/zinc/15/95/48/1360159548.db2.gz BSZQQPUYYRXDCI-QAPCUYQASA-N 1 2 349.906 3.476 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CC[C@@H](C)N(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001089162332 1360218718 /nfs/dbraw/zinc/21/87/18/1360218718.db2.gz OVENPSMWYIVPKP-WBVHZDCISA-N 1 2 342.487 3.492 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089162690 1360219298 /nfs/dbraw/zinc/21/92/98/1360219298.db2.gz SBTQNJLXQGWORZ-KBXCAEBGSA-N 1 2 342.487 3.069 20 30 EGEDLO C=CCCOCCCCC(=O)N[C@@H](C)C[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001089405612 1360404599 /nfs/dbraw/zinc/40/45/99/1360404599.db2.gz RRXVHCCDFHCAID-HOTGVXAUSA-N 1 2 348.491 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1nc(C)oc1C ZINC001089716530 1360617622 /nfs/dbraw/zinc/61/76/22/1360617622.db2.gz KBDOBWQTVWZNAY-CQSZACIVSA-N 1 2 339.867 3.264 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1nc(C)oc1C ZINC001089716530 1360617624 /nfs/dbraw/zinc/61/76/24/1360617624.db2.gz KBDOBWQTVWZNAY-CQSZACIVSA-N 1 2 339.867 3.264 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001089794212 1360667201 /nfs/dbraw/zinc/66/72/01/1360667201.db2.gz CZSHPGLZKXHDEX-NVXWUHKLSA-N 1 2 330.476 3.205 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1Nc1cc[nH+]c(C)n1 ZINC001091278829 1361030143 /nfs/dbraw/zinc/03/01/43/1361030143.db2.gz FIALYOKUXIECKP-ZIAGYGMSSA-N 1 2 336.867 3.403 20 30 EGEDLO Cc1cc(N[C@H]2C[C@H](CNC(=O)C#CC(C)(C)C)C2)nc(C2CC2)[nH+]1 ZINC001091457417 1361105128 /nfs/dbraw/zinc/10/51/28/1361105128.db2.gz DEFRGSBSEARNGP-KOMQPUFPSA-N 1 2 340.471 3.019 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001091495711 1361122980 /nfs/dbraw/zinc/12/29/80/1361122980.db2.gz JKJFBPHDFRKGTM-SHTZXODSSA-N 1 2 342.487 3.183 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)CC(C)(C)C1 ZINC001092086729 1361297253 /nfs/dbraw/zinc/29/72/53/1361297253.db2.gz RWAWFDUOWGMGFQ-JXFKEZNVSA-N 1 2 344.503 3.499 20 30 EGEDLO C=C(C)CCC(=O)NCC1CC(Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001092243270 1361338655 /nfs/dbraw/zinc/33/86/55/1361338655.db2.gz FPLHBDUEZKPRFS-UHFFFAOYSA-N 1 2 328.460 3.325 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001093050964 1361516449 /nfs/dbraw/zinc/51/64/49/1361516449.db2.gz MQFPHIJRGHWAAJ-ZACQAIPSSA-N 1 2 342.487 3.230 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C(C)=C3CCCC3)CC2)C1 ZINC001093524648 1361634944 /nfs/dbraw/zinc/63/49/44/1361634944.db2.gz DVZAGEHQZGEUIR-UHFFFAOYSA-N 1 2 332.488 3.145 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3CCC(C)=C(C)C3)CC2)C1 ZINC001093539452 1361637220 /nfs/dbraw/zinc/63/72/20/1361637220.db2.gz PWUWIHVAQDGAJL-KRWDZBQOSA-N 1 2 332.488 3.001 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCC[C@H]3CCC)CC2)C1 ZINC001093548639 1361639523 /nfs/dbraw/zinc/63/95/23/1361639523.db2.gz JLLDPUGJMUQDSW-YLJYHZDGSA-N 1 2 348.531 3.471 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCCCC3(C)C)CC2)C1 ZINC001093599874 1361654601 /nfs/dbraw/zinc/65/46/01/1361654601.db2.gz GMINHLJOIDNMBK-SFHVURJKSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C1CC(C)(C(=O)Nc2ccc(OC)nc2-n2cc[nH+]c2CC)C1 ZINC001184782587 1387538410 /nfs/dbraw/zinc/53/84/10/1387538410.db2.gz CBOKZPRIEAZICU-UHFFFAOYSA-N 1 2 326.400 3.133 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001095152641 1362034273 /nfs/dbraw/zinc/03/42/73/1362034273.db2.gz ZFGDXECDSCWMBY-MRXNPFEDSA-N 1 2 330.476 3.302 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095440511 1362141945 /nfs/dbraw/zinc/14/19/45/1362141945.db2.gz MYVSMMYKYXYTLA-UHFFFAOYSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc(C3CC3)c1)C2 ZINC001095697474 1362203623 /nfs/dbraw/zinc/20/36/23/1362203623.db2.gz MTQWYYXIXDXFSO-PVAVHDDUSA-N 1 2 331.847 3.047 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc(C3CC3)c1)C2 ZINC001095697474 1362203624 /nfs/dbraw/zinc/20/36/24/1362203624.db2.gz MTQWYYXIXDXFSO-PVAVHDDUSA-N 1 2 331.847 3.047 20 30 EGEDLO C#CCCCCC(=O)N1CCCC[C@H]1[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001095797769 1362232550 /nfs/dbraw/zinc/23/25/50/1362232550.db2.gz KMNLDGNVFBKGAI-RDJZCZTQSA-N 1 2 328.460 3.160 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCCC1(F)F)C2 ZINC001095814752 1362243180 /nfs/dbraw/zinc/24/31/80/1362243180.db2.gz JTTRGPVFZABKMK-MQYQWHSLSA-N 1 2 332.822 3.286 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCCC1(F)F)C2 ZINC001095814752 1362243182 /nfs/dbraw/zinc/24/31/82/1362243182.db2.gz JTTRGPVFZABKMK-MQYQWHSLSA-N 1 2 332.822 3.286 20 30 EGEDLO CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CCCC1 ZINC001095831213 1362248740 /nfs/dbraw/zinc/24/87/40/1362248740.db2.gz YSAQDGPDOJNWKG-QYZOEREBSA-N 1 2 337.467 3.360 20 30 EGEDLO CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CCCC1 ZINC001095831213 1362248743 /nfs/dbraw/zinc/24/87/43/1362248743.db2.gz YSAQDGPDOJNWKG-QYZOEREBSA-N 1 2 337.467 3.360 20 30 EGEDLO C=CC(C)(C)C(=O)NCCCN(CC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001095942984 1362296744 /nfs/dbraw/zinc/29/67/44/1362296744.db2.gz WEDCIAAFROLUGO-UHFFFAOYSA-N 1 2 332.492 3.453 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096219284 1362437861 /nfs/dbraw/zinc/43/78/61/1362437861.db2.gz WFNLKHYTMYSNPZ-MRXNPFEDSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3sccc3[nH]1)C2 ZINC001096281080 1362453997 /nfs/dbraw/zinc/45/39/97/1362453997.db2.gz KGILQYHXZQFWOA-OSMZGAPFSA-N 1 2 335.860 3.317 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3sccc3[nH]1)C2 ZINC001096281080 1362454001 /nfs/dbraw/zinc/45/40/01/1362454001.db2.gz KGILQYHXZQFWOA-OSMZGAPFSA-N 1 2 335.860 3.317 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CCN(c3cc(C)[nH+]c(C(C)C)n3)C2)CCC1 ZINC001096480251 1362530670 /nfs/dbraw/zinc/53/06/70/1362530670.db2.gz RHCLWAPKQOQVGF-INIZCTEOSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(C)c(C)c1)C2 ZINC001096495569 1362536084 /nfs/dbraw/zinc/53/60/84/1362536084.db2.gz VGANCPGLUYLCNS-SQNIBIBYSA-N 1 2 332.875 3.320 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(C)c(C)c1)C2 ZINC001096495569 1362536085 /nfs/dbraw/zinc/53/60/85/1362536085.db2.gz VGANCPGLUYLCNS-SQNIBIBYSA-N 1 2 332.875 3.320 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CC12CCN(c1nc(C)[nH+]c(C)c1C)CC2 ZINC001096532397 1362559868 /nfs/dbraw/zinc/55/98/68/1362559868.db2.gz ZKRICMNSSCQJIL-QGZVFWFLSA-N 1 2 342.487 3.233 20 30 EGEDLO CC(C)c1cc(N[C@@H](CNC(=O)[C@@H](C)C#N)C2CC2)nc(C(C)C)[nH+]1 ZINC001096598396 1362592410 /nfs/dbraw/zinc/59/24/10/1362592410.db2.gz NBEMHUOIWNSNSC-BBRMVZONSA-N 1 2 343.475 3.190 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H](CN(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096865435 1362756176 /nfs/dbraw/zinc/75/61/76/1362756176.db2.gz BXKGZGQXMFGVHI-MRXNPFEDSA-N 1 2 342.487 3.303 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnn1C1CCCC1)C2 ZINC001097161056 1362870345 /nfs/dbraw/zinc/87/03/45/1362870345.db2.gz BXQXKBCFBIXVED-OAGGEKHMSA-N 1 2 348.878 3.086 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnn1C1CCCC1)C2 ZINC001097161056 1362870349 /nfs/dbraw/zinc/87/03/49/1362870349.db2.gz BXQXKBCFBIXVED-OAGGEKHMSA-N 1 2 348.878 3.086 20 30 EGEDLO Cc1cc(N2CCCC[C@@H]2CNC(=O)C#CC(C)C)nc(C(C)C)[nH+]1 ZINC001097415455 1362978865 /nfs/dbraw/zinc/97/88/65/1362978865.db2.gz GLUCTEHXSKRCJU-QGZVFWFLSA-N 1 2 342.487 3.043 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H](C)[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097546025 1363053762 /nfs/dbraw/zinc/05/37/62/1363053762.db2.gz QUQSYONGSHMHNP-NVXWUHKLSA-N 1 2 344.503 3.335 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001098195659 1363251743 /nfs/dbraw/zinc/25/17/43/1363251743.db2.gz KHNLLMLPEHWUPT-ZIAGYGMSSA-N 1 2 330.476 3.183 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001098641249 1363412201 /nfs/dbraw/zinc/41/22/01/1363412201.db2.gz PEJIFZAIONBKNL-DLBZAZTESA-N 1 2 328.460 3.393 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001098704556 1363441058 /nfs/dbraw/zinc/44/10/58/1363441058.db2.gz KTZADKCJHCZEIR-QGZVFWFLSA-N 1 2 344.503 3.431 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001098724163 1363450419 /nfs/dbraw/zinc/45/04/19/1363450419.db2.gz NDYZWKGUBZJRRL-KRWDZBQOSA-N 1 2 342.487 3.446 20 30 EGEDLO Cc1nc(C[N@H+]2CC(C)(C)CC[C@@H]2CNC(=O)[C@H](C)C#N)c(C)s1 ZINC001098981879 1363554201 /nfs/dbraw/zinc/55/42/01/1363554201.db2.gz GNMUHPMOZIMIGL-IUODEOHRSA-N 1 2 348.516 3.026 20 30 EGEDLO Cc1nc(C[N@@H+]2CC(C)(C)CC[C@@H]2CNC(=O)[C@H](C)C#N)c(C)s1 ZINC001098981879 1363554205 /nfs/dbraw/zinc/55/42/05/1363554205.db2.gz GNMUHPMOZIMIGL-IUODEOHRSA-N 1 2 348.516 3.026 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1c(F)cccc1F ZINC001098982565 1363554951 /nfs/dbraw/zinc/55/49/51/1363554951.db2.gz LWWPIFBWSYWOIC-KBPBESRZSA-N 1 2 349.425 3.231 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1c(F)cccc1F ZINC001098982565 1363554953 /nfs/dbraw/zinc/55/49/53/1363554953.db2.gz LWWPIFBWSYWOIC-KBPBESRZSA-N 1 2 349.425 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(C(F)F)CC1 ZINC001099070361 1363606798 /nfs/dbraw/zinc/60/67/98/1363606798.db2.gz WSLZPFJABSBPOG-GFCCVEGCSA-N 1 2 334.838 3.391 20 30 EGEDLO 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/nfs/dbraw/zinc/31/26/43/1367312643.db2.gz WALLTCDOWZMHGH-IKGGRYGDSA-N 1 2 331.435 3.045 20 30 EGEDLO CC(C)[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109783745 1367321737 /nfs/dbraw/zinc/32/17/37/1367321737.db2.gz CBUKVPOJULULFI-BIGGFVEDSA-N 1 2 343.446 3.211 20 30 EGEDLO CC(C)[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109783745 1367321741 /nfs/dbraw/zinc/32/17/41/1367321741.db2.gz CBUKVPOJULULFI-BIGGFVEDSA-N 1 2 343.446 3.211 20 30 EGEDLO C=CCCCC(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(C)c(F)c2)CCO1 ZINC001108171454 1367323190 /nfs/dbraw/zinc/32/31/90/1367323190.db2.gz JCARHYYLTCRKIL-FQEVSTJZSA-N 1 2 348.462 3.198 20 30 EGEDLO C=CCCCC(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(C)c(F)c2)CCO1 ZINC001108171454 1367323196 /nfs/dbraw/zinc/32/31/96/1367323196.db2.gz JCARHYYLTCRKIL-FQEVSTJZSA-N 1 2 348.462 3.198 20 30 EGEDLO C#CCCCCC(=O)N[C@H](CNc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001109813315 1367338047 /nfs/dbraw/zinc/33/80/47/1367338047.db2.gz IBHGYNBGENOWSM-QGZVFWFLSA-N 1 2 340.471 3.163 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H](CC)c2ccc(C)cc2)C1 ZINC001108211354 1367343880 /nfs/dbraw/zinc/34/38/80/1367343880.db2.gz PTEDEFYXJLNAFX-WIYYLYMNSA-N 1 2 344.499 3.272 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H](CC)c2ccc(C)cc2)C1 ZINC001108211354 1367343885 /nfs/dbraw/zinc/34/38/85/1367343885.db2.gz PTEDEFYXJLNAFX-WIYYLYMNSA-N 1 2 344.499 3.272 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C)CCCCCC)C1 ZINC001108336443 1367396306 /nfs/dbraw/zinc/39/63/06/1367396306.db2.gz CYEXUPNPCUYVFY-ICSRJNTNSA-N 1 2 336.520 3.213 20 30 EGEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C)CCCCCC)C1 ZINC001108336443 1367396311 /nfs/dbraw/zinc/39/63/11/1367396311.db2.gz CYEXUPNPCUYVFY-ICSRJNTNSA-N 1 2 336.520 3.213 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H](CNc1nc(C)[nH+]c2c1CCCC2)C1CC1 ZINC001109915540 1367402209 /nfs/dbraw/zinc/40/22/09/1367402209.db2.gz FZVIJRSASIVLOJ-SFHVURJKSA-N 1 2 342.487 3.327 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(Cl)ccc2Cl)C1 ZINC001108364603 1367414803 /nfs/dbraw/zinc/41/48/03/1367414803.db2.gz SBZRLWJAAZTGPX-INIZCTEOSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(Cl)ccc2Cl)C1 ZINC001108364603 1367414805 /nfs/dbraw/zinc/41/48/05/1367414805.db2.gz SBZRLWJAAZTGPX-INIZCTEOSA-N 1 2 343.254 3.000 20 30 EGEDLO CCCCCCCNC(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001191104476 1367424512 /nfs/dbraw/zinc/42/45/12/1367424512.db2.gz HICIOAWDCLGXNB-HNNXBMFYSA-N 1 2 331.451 3.472 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C(C)(C)C)s2)C1 ZINC001108412869 1367440947 /nfs/dbraw/zinc/44/09/47/1367440947.db2.gz NUNCXZNSGPFNLI-SFHVURJKSA-N 1 2 336.501 3.052 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C(C)(C)C)s2)C1 ZINC001108412869 1367440950 /nfs/dbraw/zinc/44/09/50/1367440950.db2.gz NUNCXZNSGPFNLI-SFHVURJKSA-N 1 2 336.501 3.052 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2oc3ccccc3c2CC)C1 ZINC001108432615 1367455767 /nfs/dbraw/zinc/45/57/67/1367455767.db2.gz MQLQXJDKRNHMFR-HXUWFJFHSA-N 1 2 342.439 3.002 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2oc3ccccc3c2CC)C1 ZINC001108432615 1367455772 /nfs/dbraw/zinc/45/57/72/1367455772.db2.gz MQLQXJDKRNHMFR-HXUWFJFHSA-N 1 2 342.439 3.002 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccccc1OC)C2 ZINC001110073441 1367493319 /nfs/dbraw/zinc/49/33/19/1367493319.db2.gz XZQOUVIRRIMKOL-IKGGRYGDSA-N 1 2 348.874 3.102 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccccc1OC)C2 ZINC001110073441 1367493321 /nfs/dbraw/zinc/49/33/21/1367493321.db2.gz XZQOUVIRRIMKOL-IKGGRYGDSA-N 1 2 348.874 3.102 20 30 EGEDLO CC(C)C#CC(=O)NCC1(Nc2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC001110128232 1367513832 /nfs/dbraw/zinc/51/38/32/1367513832.db2.gz UQCPJPDJBGZLKW-UHFFFAOYSA-N 1 2 342.487 3.444 20 30 EGEDLO C=CCC1(C(=O)N[C@@H](C)CNc2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001108672373 1367524931 /nfs/dbraw/zinc/52/49/31/1367524931.db2.gz XAVQRJPGVZFAOG-AWEZNQCLSA-N 1 2 328.460 3.325 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)N1CC[C@H]([N@H+](C)CC=C(Cl)Cl)C1 ZINC001191575793 1367531176 /nfs/dbraw/zinc/53/11/76/1367531176.db2.gz DKRDFZAHVHXBIW-XJKSGUPXSA-N 1 2 349.302 3.067 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)CCCC2CC2)C1 ZINC001191860195 1367616160 /nfs/dbraw/zinc/61/61/60/1367616160.db2.gz YDNOTCDYCSDOPB-IBGZPJMESA-N 1 2 343.446 3.310 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)CCCC2CC2)C1 ZINC001191860195 1367616164 /nfs/dbraw/zinc/61/61/64/1367616164.db2.gz YDNOTCDYCSDOPB-IBGZPJMESA-N 1 2 343.446 3.310 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2noc3c2CCCC3)C1 ZINC001191867664 1367618914 /nfs/dbraw/zinc/61/89/14/1367618914.db2.gz GNOBTGJXPQQFSK-CVEARBPZSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2noc3c2CCCC3)C1 ZINC001191867664 1367618916 /nfs/dbraw/zinc/61/89/16/1367618916.db2.gz GNOBTGJXPQQFSK-CVEARBPZSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2nc(C)sc2C)C1 ZINC001191889768 1367627746 /nfs/dbraw/zinc/62/77/46/1367627746.db2.gz KASYRPQWTPKHCV-JKSUJKDBSA-N 1 2 335.517 3.395 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(C)sc2C)C1 ZINC001191889768 1367627752 /nfs/dbraw/zinc/62/77/52/1367627752.db2.gz KASYRPQWTPKHCV-JKSUJKDBSA-N 1 2 335.517 3.395 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2csc(CC)n2)C1 ZINC001191889605 1367627883 /nfs/dbraw/zinc/62/78/83/1367627883.db2.gz IUQVYMCEYDXKAS-HOCLYGCPSA-N 1 2 335.517 3.341 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2csc(CC)n2)C1 ZINC001191889605 1367627887 /nfs/dbraw/zinc/62/78/87/1367627887.db2.gz IUQVYMCEYDXKAS-HOCLYGCPSA-N 1 2 335.517 3.341 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2noc3c2CCCC3)C1 ZINC001191913602 1367638509 /nfs/dbraw/zinc/63/85/09/1367638509.db2.gz ZMRZZSNOPWIDBU-HZPDHXFCSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2noc3c2CCCC3)C1 ZINC001191913602 1367638514 /nfs/dbraw/zinc/63/85/14/1367638514.db2.gz ZMRZZSNOPWIDBU-HZPDHXFCSA-N 1 2 345.487 3.188 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3ncc(C4CC4)o3)C2)CC1 ZINC001192179815 1367708170 /nfs/dbraw/zinc/70/81/70/1367708170.db2.gz AIAVZDYMHKKMCN-INIZCTEOSA-N 1 2 343.471 3.331 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3ncc(C4CC4)o3)C2)CC1 ZINC001192179815 1367708176 /nfs/dbraw/zinc/70/81/76/1367708176.db2.gz AIAVZDYMHKKMCN-INIZCTEOSA-N 1 2 343.471 3.331 20 30 EGEDLO CC/C=C(/C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109016650 1367719475 /nfs/dbraw/zinc/71/94/75/1367719475.db2.gz XUZNRWFKDNQCTB-MKBPTFEGSA-N 1 2 341.430 3.275 20 30 EGEDLO CC/C=C(/C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109016650 1367719481 /nfs/dbraw/zinc/71/94/81/1367719481.db2.gz XUZNRWFKDNQCTB-MKBPTFEGSA-N 1 2 341.430 3.275 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC=C(Cl)Cl ZINC001109040040 1367735575 /nfs/dbraw/zinc/73/55/75/1367735575.db2.gz MUCLFZGUXVNSJH-CRWXNKLISA-N 1 2 347.286 3.008 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(Cl)Cl ZINC001109040040 1367735577 /nfs/dbraw/zinc/73/55/77/1367735577.db2.gz MUCLFZGUXVNSJH-CRWXNKLISA-N 1 2 347.286 3.008 20 30 EGEDLO O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1Cl ZINC001110531891 1367812695 /nfs/dbraw/zinc/81/26/95/1367812695.db2.gz RBRSCLSHUKBEBU-NXHRZFHOSA-N 1 2 346.833 3.114 20 30 EGEDLO O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1Cl ZINC001110531891 1367812698 /nfs/dbraw/zinc/81/26/98/1367812698.db2.gz RBRSCLSHUKBEBU-NXHRZFHOSA-N 1 2 346.833 3.114 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)CCC(C)(C)C)C1 ZINC001192948839 1367910564 /nfs/dbraw/zinc/91/05/64/1367910564.db2.gz VVQZUJUDWPCXHI-CYBMUJFWSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)CCC(C)(C)C)C1 ZINC001192948839 1367910570 /nfs/dbraw/zinc/91/05/70/1367910570.db2.gz VVQZUJUDWPCXHI-CYBMUJFWSA-N 1 2 331.298 3.254 20 30 EGEDLO C#CC[N@H+](CC1CC1)[C@@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC001325182337 1387911139 /nfs/dbraw/zinc/91/11/39/1387911139.db2.gz TXXPZXNXBUKWGX-ZDUSSCGKSA-N 1 2 338.407 3.308 20 30 EGEDLO C#CC[N@@H+](CC1CC1)[C@@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC001325182337 1387911144 /nfs/dbraw/zinc/91/11/44/1387911144.db2.gz TXXPZXNXBUKWGX-ZDUSSCGKSA-N 1 2 338.407 3.308 20 30 EGEDLO C=CCCC(=O)N1CC[C@@](C)(CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001110831979 1368015217 /nfs/dbraw/zinc/01/52/17/1368015217.db2.gz CDZCKFJVTDLONZ-FQEVSTJZSA-N 1 2 342.487 3.281 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1ncc(C)o1 ZINC001110890949 1368065098 /nfs/dbraw/zinc/06/50/98/1368065098.db2.gz NHTZNLUQXMOTSX-FPCVCCKLSA-N 1 2 331.460 3.368 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1ncc(C)o1 ZINC001110890949 1368065102 /nfs/dbraw/zinc/06/51/02/1368065102.db2.gz NHTZNLUQXMOTSX-FPCVCCKLSA-N 1 2 331.460 3.368 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnc(Cl)c1 ZINC001110897561 1368070691 /nfs/dbraw/zinc/07/06/91/1368070691.db2.gz ONPABRYEIHGQOR-KFWWJZLASA-N 1 2 333.863 3.169 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnc(Cl)c1 ZINC001110897561 1368070695 /nfs/dbraw/zinc/07/06/95/1368070695.db2.gz ONPABRYEIHGQOR-KFWWJZLASA-N 1 2 333.863 3.169 20 30 EGEDLO C=CCCC(=O)NC[C@@]1(C)CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001110920438 1368092544 /nfs/dbraw/zinc/09/25/44/1368092544.db2.gz RHQJQOPRTORGJY-HXUWFJFHSA-N 1 2 342.487 3.351 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(F)cccc1F ZINC001110925152 1368096452 /nfs/dbraw/zinc/09/64/52/1368096452.db2.gz LUIOSIKYNDUHND-ZMYBRWDISA-N 1 2 346.421 3.380 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(F)cccc1F ZINC001110925152 1368096456 /nfs/dbraw/zinc/09/64/56/1368096456.db2.gz LUIOSIKYNDUHND-ZMYBRWDISA-N 1 2 346.421 3.380 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)nc1 ZINC001110964534 1368127152 /nfs/dbraw/zinc/12/71/52/1368127152.db2.gz PDJLFNULELOARD-OAGGEKHMSA-N 1 2 333.863 3.313 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)nc1 ZINC001110964534 1368127157 /nfs/dbraw/zinc/12/71/57/1368127157.db2.gz PDJLFNULELOARD-OAGGEKHMSA-N 1 2 333.863 3.313 20 30 EGEDLO C=CCCC(=O)N1C[C@@H](C)[C@@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001111237778 1368211738 /nfs/dbraw/zinc/21/17/38/1368211738.db2.gz XPIXQHPNRQPXDG-CJNGLKHVSA-N 1 2 328.460 3.135 20 30 EGEDLO C=CCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1nc(C)[nH+]c(C)c1C ZINC001111264782 1368230491 /nfs/dbraw/zinc/23/04/91/1368230491.db2.gz CPCRBCNUTDPNHJ-BCDXTJNWSA-N 1 2 342.487 3.232 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CC(C)(C)CO1)C2 ZINC001111323953 1368267040 /nfs/dbraw/zinc/26/70/40/1368267040.db2.gz GBMAIIHZORIMKM-FPCVCCKLSA-N 1 2 340.895 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CC(C)(C)CO1)C2 ZINC001111323953 1368267043 /nfs/dbraw/zinc/26/70/43/1368267043.db2.gz GBMAIIHZORIMKM-FPCVCCKLSA-N 1 2 340.895 3.056 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3cc(C)on3)C2)CCCC1 ZINC001194532895 1368281752 /nfs/dbraw/zinc/28/17/52/1368281752.db2.gz YUFBAJHOZMPRDH-QGZVFWFLSA-N 1 2 331.460 3.152 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3cc(C)on3)C2)CCCC1 ZINC001194532895 1368281756 /nfs/dbraw/zinc/28/17/56/1368281756.db2.gz YUFBAJHOZMPRDH-QGZVFWFLSA-N 1 2 331.460 3.152 20 30 EGEDLO CCCCCCCCOC(=O)N[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC001194752278 1368316682 /nfs/dbraw/zinc/31/66/82/1368316682.db2.gz HDZUEGZSCITRDH-DLBZAZTESA-N 1 2 326.481 3.326 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCCOCC)C2 ZINC001111481190 1368316938 /nfs/dbraw/zinc/31/69/38/1368316938.db2.gz CDTLTWFDIVMJRX-OAGGEKHMSA-N 1 2 328.884 3.057 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCCOCC)C2 ZINC001111481190 1368316944 /nfs/dbraw/zinc/31/69/44/1368316944.db2.gz CDTLTWFDIVMJRX-OAGGEKHMSA-N 1 2 328.884 3.057 20 30 EGEDLO CCCCCC(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001194855934 1368335553 /nfs/dbraw/zinc/33/55/53/1368335553.db2.gz IRUNSPCJQFSDDD-UHFFFAOYSA-N 1 2 331.435 3.312 20 30 EGEDLO CCCCCC(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001194855934 1368335558 /nfs/dbraw/zinc/33/55/58/1368335558.db2.gz IRUNSPCJQFSDDD-UHFFFAOYSA-N 1 2 331.435 3.312 20 30 EGEDLO Cn1c[nH+]cc1-c1cccc(C(=O)Nc2ccc(F)c(C#N)c2F)c1 ZINC001194909244 1368345151 /nfs/dbraw/zinc/34/51/51/1368345151.db2.gz KEXHDTPFBMOGON-UHFFFAOYSA-N 1 2 338.317 3.489 20 30 EGEDLO COc1ccc(C#N)cc1NC(=O)c1cccc(-c2c[nH+]cn2C)c1 ZINC001194908348 1368345406 /nfs/dbraw/zinc/34/54/06/1368345406.db2.gz WPTKGXKZWCGWHR-UHFFFAOYSA-N 1 2 332.363 3.220 20 30 EGEDLO Cc1cc(NCC[C@H]2CCN(C(=O)C#CC(C)C)C2)nc(C(C)C)[nH+]1 ZINC001111606384 1368367396 /nfs/dbraw/zinc/36/73/96/1368367396.db2.gz BBWGRDJBGGMZEL-KRWDZBQOSA-N 1 2 342.487 3.218 20 30 EGEDLO C=CCCOc1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC001195142688 1368387582 /nfs/dbraw/zinc/38/75/82/1368387582.db2.gz WMROYZFFUAKKHU-QGZVFWFLSA-N 1 2 337.423 3.045 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](CNc2cc[nH+]c(C)n2)CC1 ZINC001111643250 1368405172 /nfs/dbraw/zinc/40/51/72/1368405172.db2.gz BVLZJESVHWSHDE-WKILWMFISA-N 1 2 330.476 3.474 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001195958269 1368522744 /nfs/dbraw/zinc/52/27/44/1368522744.db2.gz SXDJOWYKLJRRKJ-UHFFFAOYSA-N 1 2 337.467 3.361 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001195958269 1368522747 /nfs/dbraw/zinc/52/27/47/1368522747.db2.gz SXDJOWYKLJRRKJ-UHFFFAOYSA-N 1 2 337.467 3.361 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001112004900 1368608344 /nfs/dbraw/zinc/60/83/44/1368608344.db2.gz FBGLNXFNCMCFSU-KRWDZBQOSA-N 1 2 344.503 3.479 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[N@@H+]([C@@H](C)c2ncc(C)o2)CC1 ZINC001196770768 1368680731 /nfs/dbraw/zinc/68/07/31/1368680731.db2.gz RSUTVSSYMXXYNR-KRWDZBQOSA-N 1 2 331.460 3.162 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[N@H+]([C@@H](C)c2ncc(C)o2)CC1 ZINC001196770768 1368680734 /nfs/dbraw/zinc/68/07/34/1368680734.db2.gz RSUTVSSYMXXYNR-KRWDZBQOSA-N 1 2 331.460 3.162 20 30 EGEDLO CC#CCCCC(=O)N1CCC[N@H+](Cc2cc(F)cc(F)c2)CC1 ZINC001196846676 1368697479 /nfs/dbraw/zinc/69/74/79/1368697479.db2.gz HZUSYNMSETVMPW-UHFFFAOYSA-N 1 2 334.410 3.193 20 30 EGEDLO CC#CCCCC(=O)N1CCC[N@@H+](Cc2cc(F)cc(F)c2)CC1 ZINC001196846676 1368697484 /nfs/dbraw/zinc/69/74/84/1368697484.db2.gz HZUSYNMSETVMPW-UHFFFAOYSA-N 1 2 334.410 3.193 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2cc(F)ccc2F)CC1 ZINC001196854116 1368700110 /nfs/dbraw/zinc/70/01/10/1368700110.db2.gz PIWZJGMSBZYEGT-GJZGRUSLSA-N 1 2 336.426 3.457 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2cc(F)ccc2F)CC1 ZINC001196854116 1368700112 /nfs/dbraw/zinc/70/01/12/1368700112.db2.gz PIWZJGMSBZYEGT-GJZGRUSLSA-N 1 2 336.426 3.457 20 30 EGEDLO C#CCCCCC(=O)N1C[C@H](C)[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001112308726 1368758318 /nfs/dbraw/zinc/75/83/18/1368758318.db2.gz MJVXQBWHBIMWOZ-DOTOQJQBSA-N 1 2 342.487 3.361 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001112325817 1368767279 /nfs/dbraw/zinc/76/72/79/1368767279.db2.gz WAJKOHLVECEVKF-KDOFPFPSSA-N 1 2 342.487 3.279 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C[C@@H]1C ZINC001112429492 1368843622 /nfs/dbraw/zinc/84/36/22/1368843622.db2.gz QHDJETDOZPAKIT-XJKSGUPXSA-N 1 2 342.487 3.206 20 30 EGEDLO CC[C@@H](C)[C@H](C)C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC001197586714 1368845616 /nfs/dbraw/zinc/84/56/16/1368845616.db2.gz KJLBOHBQRHJTLD-MOPGFXCFSA-N 1 2 326.484 3.255 20 30 EGEDLO CC[C@@H](C)[C@H](C)C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001197586714 1368845630 /nfs/dbraw/zinc/84/56/30/1368845630.db2.gz KJLBOHBQRHJTLD-MOPGFXCFSA-N 1 2 326.484 3.255 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]2CC1 ZINC001112443916 1368858175 /nfs/dbraw/zinc/85/81/75/1368858175.db2.gz VCOSWCLHWMRUEY-OKZBNKHCSA-N 1 2 342.487 3.062 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCN(c2nc(C)[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001112476562 1368875021 /nfs/dbraw/zinc/87/50/21/1368875021.db2.gz KSTSXQYGSCCDDQ-ZBFHGGJFSA-N 1 2 342.487 3.104 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@H](C)C1 ZINC001112486934 1368884155 /nfs/dbraw/zinc/88/41/55/1368884155.db2.gz FXXIDEKKCRVBRJ-DYVFJYSZSA-N 1 2 344.503 3.478 20 30 EGEDLO C#CCCCCCC(=O)N(C)[C@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001112631793 1368961265 /nfs/dbraw/zinc/96/12/65/1368961265.db2.gz LIVVUTJHFKDVKB-SFHVURJKSA-N 1 2 342.487 3.186 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC(CN(CC)c2cc[nH+]c(C)n2)CC1 ZINC001112687072 1368980828 /nfs/dbraw/zinc/98/08/28/1368980828.db2.gz PEDHMTUFPMJQCH-QGZVFWFLSA-N 1 2 344.503 3.452 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@@H+](Cc3ccc(F)cn3)CC2)CCCC1 ZINC001198417159 1369027254 /nfs/dbraw/zinc/02/72/54/1369027254.db2.gz ADNALNNCDXEJIS-UHFFFAOYSA-N 1 2 345.462 3.392 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@H+](Cc3ccc(F)cn3)CC2)CCCC1 ZINC001198417159 1369027259 /nfs/dbraw/zinc/02/72/59/1369027259.db2.gz ADNALNNCDXEJIS-UHFFFAOYSA-N 1 2 345.462 3.392 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[NH+](CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC001112880778 1369064681 /nfs/dbraw/zinc/06/46/81/1369064681.db2.gz OQEJZGYCZLTGEG-AZUAARDMSA-N 1 2 348.531 3.494 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)C1CC=CC1)c1ccccc1OC ZINC001198637638 1369079382 /nfs/dbraw/zinc/07/93/82/1369079382.db2.gz RTZNTLFXNMRJPH-MRXNPFEDSA-N 1 2 334.847 3.161 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)C=C1CCC1)c1ccccc1OC ZINC001198657243 1369084453 /nfs/dbraw/zinc/08/44/53/1369084453.db2.gz RZDMREVCHFQHEB-INIZCTEOSA-N 1 2 334.847 3.305 20 30 EGEDLO C=C(C)[C@H](CC(=O)N1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1)OCC ZINC001112909784 1369086214 /nfs/dbraw/zinc/08/62/14/1369086214.db2.gz ZCVAJTBFJFXWHN-LPHOPBHVSA-N 1 2 348.462 3.402 20 30 EGEDLO CC#CCCCC(=O)N1CC[NH+]([C@@H]2CCc3c2cccc3F)CC1 ZINC001113232131 1369280621 /nfs/dbraw/zinc/28/06/21/1369280621.db2.gz FDBDBGGVORZDFN-LJQANCHMSA-N 1 2 328.431 3.151 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C)c(OC)c2)CC1 ZINC001113243044 1369288073 /nfs/dbraw/zinc/28/80/73/1369288073.db2.gz CLEPLHJJKMNSSW-KRWDZBQOSA-N 1 2 330.472 3.250 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC001113246362 1369289983 /nfs/dbraw/zinc/28/99/83/1369289983.db2.gz KWRXYIPVFRBNEY-QGZVFWFLSA-N 1 2 342.483 3.474 20 30 EGEDLO C=CCCCC(=O)N1CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC001113282235 1369316480 /nfs/dbraw/zinc/31/64/80/1369316480.db2.gz RUIDNKYZXHEXSV-UHFFFAOYSA-N 1 2 328.456 3.228 20 30 EGEDLO C=CCCC1(C(=O)N2CC[NH+](CCOc3ccc(F)cc3)CC2)CC1 ZINC001113305456 1369334361 /nfs/dbraw/zinc/33/43/61/1369334361.db2.gz QRKZPPQQJHKZJZ-UHFFFAOYSA-N 1 2 346.446 3.095 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccc(C)c(OC)c3)CC2)CCC1 ZINC001113315138 1369342498 /nfs/dbraw/zinc/34/24/98/1369342498.db2.gz WZCYSUVNJJDSEJ-UHFFFAOYSA-N 1 2 342.483 3.394 20 30 EGEDLO Cc1cc(NCC(C)(C)CN(C)C(=O)C#CC(C)C)nc(C(C)C)[nH+]1 ZINC001113422947 1369416929 /nfs/dbraw/zinc/41/69/29/1369416929.db2.gz ABXUGXJEVSHBSS-UHFFFAOYSA-N 1 2 344.503 3.464 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)N(C)c2cc[nH+]c(C)n2)CCCCC1 ZINC001113627676 1369529588 /nfs/dbraw/zinc/52/95/88/1369529588.db2.gz TYDVLHSOSUBLPD-OAHLLOKOSA-N 1 2 330.476 3.253 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](CCc3csc(C)n3)CC2)CCCC1 ZINC001113744837 1369598633 /nfs/dbraw/zinc/59/86/33/1369598633.db2.gz PLRLAXLPHBTBAP-UHFFFAOYSA-N 1 2 347.528 3.275 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001113821420 1369622800 /nfs/dbraw/zinc/62/28/00/1369622800.db2.gz CCYTWVQSICAJNC-ZBFHGGJFSA-N 1 2 332.492 3.452 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)CC[C@H]1C ZINC001114002029 1369681032 /nfs/dbraw/zinc/68/10/32/1369681032.db2.gz UIKOCSGHTOXWJD-GDBMZVCRSA-N 1 2 330.476 3.206 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CN(c2nc(C)[nH+]c(C)c2C)CC[C@H]1C ZINC001114046008 1369700334 /nfs/dbraw/zinc/70/03/34/1369700334.db2.gz IXZPCSJAHSWKOH-DYVFJYSZSA-N 1 2 330.476 3.089 20 30 EGEDLO Cc1cc(N[C@H](CCN(C)C(=O)[C@H](C)C#N)C(C)C)nc(C2CC2)[nH+]1 ZINC001114085265 1369725985 /nfs/dbraw/zinc/72/59/85/1369725985.db2.gz VDAIGLBLYIHUNP-CZUORRHYSA-N 1 2 343.475 3.107 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CCCCCN1c1nc(C)[nH+]c(C)c1C ZINC001114370533 1369921468 /nfs/dbraw/zinc/92/14/68/1369921468.db2.gz IHLVQYZHUNCROG-QGZVFWFLSA-N 1 2 344.503 3.479 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CN(c3cc[nH+]c(C)n3)CC2(C)C)CCCC1 ZINC001114457110 1369951674 /nfs/dbraw/zinc/95/16/74/1369951674.db2.gz KBRCEXJPZPCVFI-INIZCTEOSA-N 1 2 342.487 3.253 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)CC(C)(C)C ZINC001114937856 1370165119 /nfs/dbraw/zinc/16/51/19/1370165119.db2.gz UNTAQZJWJJAHJO-SCUASFONSA-N 1 2 343.309 3.014 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)CC(C)(C)C ZINC001114937856 1370165121 /nfs/dbraw/zinc/16/51/21/1370165121.db2.gz UNTAQZJWJJAHJO-SCUASFONSA-N 1 2 343.309 3.014 20 30 EGEDLO C=CC1(CC(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cscn4)C[C@H]32)CCCCC1 ZINC001114969477 1370184599 /nfs/dbraw/zinc/18/45/99/1370184599.db2.gz WPXKRULGQUIEDG-VQFNDLOPSA-N 1 2 345.512 3.216 20 30 EGEDLO C=CC1(CC(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cscn4)C[C@H]32)CCCCC1 ZINC001114969477 1370184601 /nfs/dbraw/zinc/18/46/01/1370184601.db2.gz WPXKRULGQUIEDG-VQFNDLOPSA-N 1 2 345.512 3.216 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)CC(C)C ZINC001115092405 1370273513 /nfs/dbraw/zinc/27/35/13/1370273513.db2.gz YHWMNOKVKHSIMK-KBXIAJHMSA-N 1 2 343.309 3.014 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)CC(C)C ZINC001115092405 1370273515 /nfs/dbraw/zinc/27/35/15/1370273515.db2.gz YHWMNOKVKHSIMK-KBXIAJHMSA-N 1 2 343.309 3.014 20 30 EGEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccc(Cl)cc1)CC2 ZINC001203920155 1370314608 /nfs/dbraw/zinc/31/46/08/1370314608.db2.gz WSXDKZYKPBUZES-UHFFFAOYSA-N 1 2 331.847 3.334 20 30 EGEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccc(Cl)cc1)CC2 ZINC001203920155 1370314612 /nfs/dbraw/zinc/31/46/12/1370314612.db2.gz WSXDKZYKPBUZES-UHFFFAOYSA-N 1 2 331.847 3.334 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC(N(C)c2nc(C)[nH+]c(C)c2C)CC1 ZINC001115153428 1370315639 /nfs/dbraw/zinc/31/56/39/1370315639.db2.gz GVOMLKOLRAQNFC-UONOGXRCSA-N 1 2 344.503 3.287 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CCC23CN(C(=O)OC(C)(C)C)C3)cc1 ZINC001204297174 1370435103 /nfs/dbraw/zinc/43/51/03/1370435103.db2.gz FFFWPAACTRRDSG-UHFFFAOYSA-N 1 2 344.455 3.447 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CCC23CN(C(=O)OC(C)(C)C)C3)cc1 ZINC001204297174 1370435108 /nfs/dbraw/zinc/43/51/08/1370435108.db2.gz FFFWPAACTRRDSG-UHFFFAOYSA-N 1 2 344.455 3.447 20 30 EGEDLO CC(C)(C)OC(=O)N1CCCC2(C[NH+](Cc3ccccc3C#N)C2)C1 ZINC001204368811 1370456196 /nfs/dbraw/zinc/45/61/96/1370456196.db2.gz ZEHSQVCMDLBZLT-UHFFFAOYSA-N 1 2 341.455 3.391 20 30 EGEDLO C=C[C@H](CC(=O)N(C)C[C@@H](C)Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC001115744222 1370724730 /nfs/dbraw/zinc/72/47/30/1370724730.db2.gz ANIWCWDWDKTWSZ-NVXWUHKLSA-N 1 2 338.455 3.404 20 30 EGEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1cc(CC#N)ccc1F ZINC001206526207 1371084284 /nfs/dbraw/zinc/08/42/84/1371084284.db2.gz KDVZHJQKDZGOBS-UHFFFAOYSA-N 1 2 340.398 3.400 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001207172240 1371320989 /nfs/dbraw/zinc/32/09/89/1371320989.db2.gz SFKGSMWRSLCBCH-CZUORRHYSA-N 1 2 331.460 3.091 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001207172240 1371320992 /nfs/dbraw/zinc/32/09/92/1371320992.db2.gz SFKGSMWRSLCBCH-CZUORRHYSA-N 1 2 331.460 3.091 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc(CCCC)no2)C[C@H]1C ZINC001207200738 1371327333 /nfs/dbraw/zinc/32/73/33/1371327333.db2.gz PFEYLBUPEWQBNF-OWCLPIDISA-N 1 2 348.491 3.266 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc(CCCC)no2)C[C@H]1C ZINC001207200738 1371327336 /nfs/dbraw/zinc/32/73/36/1371327336.db2.gz PFEYLBUPEWQBNF-OWCLPIDISA-N 1 2 348.491 3.266 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001208497859 1371787904 /nfs/dbraw/zinc/78/79/04/1371787904.db2.gz BUHUNJMXHIKWKK-SIIHOXLZSA-N 1 2 335.517 3.244 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001208497859 1371787911 /nfs/dbraw/zinc/78/79/11/1371787911.db2.gz BUHUNJMXHIKWKK-SIIHOXLZSA-N 1 2 335.517 3.244 20 30 EGEDLO CC(C)C1(C(=O)N[C@@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)CC1 ZINC001208548598 1371811367 /nfs/dbraw/zinc/81/13/67/1371811367.db2.gz BREHAQOLQXDFNB-RDTXWAMCSA-N 1 2 343.446 3.070 20 30 EGEDLO CC(C)C1(C(=O)N[C@@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)CC1 ZINC001208548598 1371811373 /nfs/dbraw/zinc/81/13/73/1371811373.db2.gz BREHAQOLQXDFNB-RDTXWAMCSA-N 1 2 343.446 3.070 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2cccs2)C1 ZINC001209014159 1371975000 /nfs/dbraw/zinc/97/50/00/1371975000.db2.gz DJASOEVMQXUKDX-LALPHHSUSA-N 1 2 326.893 3.116 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2cccs2)C1 ZINC001209014159 1371975002 /nfs/dbraw/zinc/97/50/02/1371975002.db2.gz DJASOEVMQXUKDX-LALPHHSUSA-N 1 2 326.893 3.116 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC001209185808 1372030629 /nfs/dbraw/zinc/03/06/29/1372030629.db2.gz XMQACUGLCWWAOR-GJZGRUSLSA-N 1 2 348.491 3.050 20 30 EGEDLO CC(C)(C)C#CC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3F)C[C@H]21 ZINC001187833625 1388174132 /nfs/dbraw/zinc/17/41/32/1388174132.db2.gz SJFLIPVYWAPKFZ-KBXCAEBGSA-N 1 2 346.421 3.047 20 30 EGEDLO CC(C)(C)C#CC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3F)C[C@H]21 ZINC001187833625 1388174135 /nfs/dbraw/zinc/17/41/35/1388174135.db2.gz SJFLIPVYWAPKFZ-KBXCAEBGSA-N 1 2 346.421 3.047 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@@H]([NH2+]Cc3nc(C(C)C)no3)C2)CCC1 ZINC001209505001 1372123447 /nfs/dbraw/zinc/12/34/47/1372123447.db2.gz XQOKXWUOGFQHRI-OAHLLOKOSA-N 1 2 346.475 3.020 20 30 EGEDLO C=CCC[C@@H]1CCCN1c1nnc([C@H]2CCCC[N@@H+]2C)n1CCOC ZINC001122210388 1372202179 /nfs/dbraw/zinc/20/21/79/1372202179.db2.gz JVXFBXVAFJNCAF-IAGOWNOFSA-N 1 2 347.507 3.016 20 30 EGEDLO C=CCC[C@@H]1CCCN1c1nnc([C@H]2CCCC[N@H+]2C)n1CCOC ZINC001122210388 1372202180 /nfs/dbraw/zinc/20/21/80/1372202180.db2.gz JVXFBXVAFJNCAF-IAGOWNOFSA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H](C(C)C)C1 ZINC001122490791 1372257874 /nfs/dbraw/zinc/25/78/74/1372257874.db2.gz URXHHDAMLNJSBX-INIZCTEOSA-N 1 2 342.491 3.051 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001122529327 1372267673 /nfs/dbraw/zinc/26/76/73/1372267673.db2.gz ACIAZBOEVOSUHT-CVEARBPZSA-N 1 2 331.508 3.493 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001122529327 1372267678 /nfs/dbraw/zinc/26/76/78/1372267678.db2.gz ACIAZBOEVOSUHT-CVEARBPZSA-N 1 2 331.508 3.493 20 30 EGEDLO N#C[C@H]1C[NH2+]CCN1Cc1c[nH]c2c1cccc2OCc1ccccc1 ZINC001210122937 1372275121 /nfs/dbraw/zinc/27/51/21/1372275121.db2.gz VURVBMLKJAXLOG-SFHVURJKSA-N 1 2 346.434 3.044 20 30 EGEDLO COc1ccccc1Sc1ccc(CN2CC[NH2+]C[C@H]2C#N)cc1 ZINC001210122979 1372276122 /nfs/dbraw/zinc/27/61/22/1372276122.db2.gz XEWXFOFVSCPNSA-MRXNPFEDSA-N 1 2 339.464 3.144 20 30 EGEDLO N#C[C@H]1C[NH2+]CCN1Cc1ccc(OCc2ccccc2)cc1Cl ZINC001210123145 1372276163 /nfs/dbraw/zinc/27/61/63/1372276163.db2.gz ZGHJQOWJSWEVJZ-KRWDZBQOSA-N 1 2 341.842 3.216 20 30 EGEDLO C[C@@H]1CN(c2ccc(Nc3ccc(F)cc3C#N)c[nH+]2)C[C@H](C)O1 ZINC001210551737 1372376997 /nfs/dbraw/zinc/37/69/97/1372376997.db2.gz RWLPLEHVOCQFFY-BETUJISGSA-N 1 2 326.375 3.450 20 30 EGEDLO Cc1cc(N[C@H]2C[C@H](C)N(C(=O)C#CC(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC001123201857 1372396008 /nfs/dbraw/zinc/39/60/08/1372396008.db2.gz GNMZHYSPQKTAIR-HOTGVXAUSA-N 1 2 342.487 3.359 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@@H]2CCC[C@@H](Nc3cc[nH+]c(C)n3)[C@H]2C1 ZINC001123487466 1372487469 /nfs/dbraw/zinc/48/74/69/1372487469.db2.gz PAAORWQZBVCSER-YESZJQIVSA-N 1 2 328.460 3.180 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)[C@@H]1C ZINC001123578216 1372514266 /nfs/dbraw/zinc/51/42/66/1372514266.db2.gz VKEWFWYDRXVRRN-HZPDHXFCSA-N 1 2 330.476 3.348 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@H]1C ZINC001123652109 1372540962 /nfs/dbraw/zinc/54/09/62/1372540962.db2.gz CRALQILDQRMWOT-HOCLYGCPSA-N 1 2 330.476 3.088 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@H]1C ZINC001123671131 1372552187 /nfs/dbraw/zinc/55/21/87/1372552187.db2.gz UZLXBWFFXOZBCC-DOTOQJQBSA-N 1 2 344.503 3.478 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001123671132 1372552203 /nfs/dbraw/zinc/55/22/03/1372552203.db2.gz UZLXBWFFXOZBCC-NVXWUHKLSA-N 1 2 344.503 3.478 20 30 EGEDLO Cc1cc(NC[C@@H]2CC[C@H](NC(=O)C#CC(C)C)C2)nc(C2CC2)[nH+]1 ZINC001123784898 1372587744 /nfs/dbraw/zinc/58/77/44/1372587744.db2.gz NTVGQFGQOFHGJV-WBVHZDCISA-N 1 2 340.471 3.019 20 30 EGEDLO N#Cc1ccc(Nc2ccc(C[NH+]3CC(O)C3)cc2)c(C(F)(F)F)c1 ZINC001212669064 1372749631 /nfs/dbraw/zinc/74/96/31/1372749631.db2.gz FGKQEXODTUJZPC-UHFFFAOYSA-N 1 2 347.340 3.497 20 30 EGEDLO Cc1cc(NC[C@@H](NC(=O)[C@@H](C)C#N)C(C)(C)C)nc(C(C)C)[nH+]1 ZINC001125822795 1372864734 /nfs/dbraw/zinc/86/47/34/1372864734.db2.gz UGBYYRHWWOOFCY-GXTWGEPZSA-N 1 2 331.464 3.011 20 30 EGEDLO N#Cc1cnccc1Nc1cc[nH+]c2cc(Br)ccc12 ZINC001214007084 1372993030 /nfs/dbraw/zinc/99/30/30/1372993030.db2.gz NKBGZBHZOMDOGD-UHFFFAOYSA-N 1 2 325.169 3.429 20 30 EGEDLO COc1ccc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cc1C#N ZINC001214993754 1373153559 /nfs/dbraw/zinc/15/35/59/1373153559.db2.gz UNQZOPCZMONXSD-OKILXGFUSA-N 1 2 338.411 3.319 20 30 EGEDLO Cc1ccc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)cc1C#N ZINC001216077132 1373258533 /nfs/dbraw/zinc/25/85/33/1373258533.db2.gz ZITXYQYHUDPNFI-UHFFFAOYSA-N 1 2 348.450 3.131 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H](C)[C@@H](C)C(C)(C)C)c2C1 ZINC001128517281 1373281113 /nfs/dbraw/zinc/28/11/13/1373281113.db2.gz FFVGXAHKCQQVSK-HZPDHXFCSA-N 1 2 346.519 3.209 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H](C)[C@@H](C)C(C)(C)C)c2C1 ZINC001128517281 1373281116 /nfs/dbraw/zinc/28/11/16/1373281116.db2.gz FFVGXAHKCQQVSK-HZPDHXFCSA-N 1 2 346.519 3.209 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H](C)CCCCCC)c2C1 ZINC001128521305 1373282388 /nfs/dbraw/zinc/28/23/88/1373282388.db2.gz NUGGKOCBEAQLBY-QGZVFWFLSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H](C)CCCCCC)c2C1 ZINC001128521305 1373282390 /nfs/dbraw/zinc/28/23/90/1373282390.db2.gz NUGGKOCBEAQLBY-QGZVFWFLSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C[C@H](CC)C(C)(C)C)c2C1 ZINC001128544931 1373287529 /nfs/dbraw/zinc/28/75/29/1373287529.db2.gz YTQFNCVPKGTTMN-KRWDZBQOSA-N 1 2 346.519 3.353 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C[C@H](CC)C(C)(C)C)c2C1 ZINC001128544931 1373287533 /nfs/dbraw/zinc/28/75/33/1373287533.db2.gz YTQFNCVPKGTTMN-KRWDZBQOSA-N 1 2 346.519 3.353 20 30 EGEDLO C=CCCC[N@@H+]1Cc2cnn(C3CCN(C(=O)CC4CC4)CC3)c2C1 ZINC001130161347 1373465855 /nfs/dbraw/zinc/46/58/55/1373465855.db2.gz RZUYQLZFUMSZFD-UHFFFAOYSA-N 1 2 342.487 3.129 20 30 EGEDLO C=CCCC[N@H+]1Cc2cnn(C3CCN(C(=O)CC4CC4)CC3)c2C1 ZINC001130161347 1373465856 /nfs/dbraw/zinc/46/58/56/1373465856.db2.gz RZUYQLZFUMSZFD-UHFFFAOYSA-N 1 2 342.487 3.129 20 30 EGEDLO C=CCCC(=O)N1CCC(n2ncc3c2C[N@H+](CCC2CC2)C3)CC1 ZINC001130163930 1373466716 /nfs/dbraw/zinc/46/67/16/1373466716.db2.gz YHKVVSMNTSMNPC-UHFFFAOYSA-N 1 2 342.487 3.129 20 30 EGEDLO C=CCCC(=O)N1CCC(n2ncc3c2C[N@@H+](CCC2CC2)C3)CC1 ZINC001130163930 1373466718 /nfs/dbraw/zinc/46/67/18/1373466718.db2.gz YHKVVSMNTSMNPC-UHFFFAOYSA-N 1 2 342.487 3.129 20 30 EGEDLO C=C1CC(C)(C(=O)Nc2ccc(O[C@@H]3CC[NH2+]CC3(F)F)cc2)C1 ZINC001219456285 1373710091 /nfs/dbraw/zinc/71/00/91/1373710091.db2.gz LMXMSLMPXKJMIH-OAHLLOKOSA-N 1 2 336.382 3.357 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC001131900392 1375037249 /nfs/dbraw/zinc/03/72/49/1375037249.db2.gz XOSJRLKGKRIAFZ-IAGOWNOFSA-N 1 2 344.503 3.434 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC001131900392 1375037255 /nfs/dbraw/zinc/03/72/55/1375037255.db2.gz XOSJRLKGKRIAFZ-IAGOWNOFSA-N 1 2 344.503 3.434 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncc(CC)o3)[C@H]2C1 ZINC001223586837 1375039108 /nfs/dbraw/zinc/03/91/08/1375039108.db2.gz KADPCHHTNJMEHA-WBVHZDCISA-N 1 2 345.487 3.262 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncc(CC)o3)[C@H]2C1 ZINC001223586837 1375039111 /nfs/dbraw/zinc/03/91/11/1375039111.db2.gz KADPCHHTNJMEHA-WBVHZDCISA-N 1 2 345.487 3.262 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ncc(C)s2)C1 ZINC001131971421 1375076558 /nfs/dbraw/zinc/07/65/58/1375076558.db2.gz HUCOBHHHGQOTJD-ZBFHGGJFSA-N 1 2 333.501 3.114 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ncc(C)s2)C1 ZINC001131971421 1375076566 /nfs/dbraw/zinc/07/65/66/1375076566.db2.gz HUCOBHHHGQOTJD-ZBFHGGJFSA-N 1 2 333.501 3.114 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2nc(C)sc2C)C1 ZINC001131972017 1375077157 /nfs/dbraw/zinc/07/71/57/1375077157.db2.gz OPOZVRGKEVQHPV-YOEHRIQHSA-N 1 2 347.528 3.423 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2nc(C)sc2C)C1 ZINC001131972017 1375077163 /nfs/dbraw/zinc/07/71/63/1375077163.db2.gz OPOZVRGKEVQHPV-YOEHRIQHSA-N 1 2 347.528 3.423 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1cc(F)ccc1F ZINC001132033601 1375108630 /nfs/dbraw/zinc/10/86/30/1375108630.db2.gz IMJQFCOOSJXCGM-YOEHRIQHSA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1cc(F)ccc1F ZINC001132033601 1375108632 /nfs/dbraw/zinc/10/86/32/1375108632.db2.gz IMJQFCOOSJXCGM-YOEHRIQHSA-N 1 2 348.437 3.483 20 30 EGEDLO Cc1nc(C[N@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]2C)sc1C ZINC001132034898 1375109689 /nfs/dbraw/zinc/10/96/89/1375109689.db2.gz WGWPHNAVIONZMU-BBRMVZONSA-N 1 2 347.528 3.279 20 30 EGEDLO Cc1nc(C[N@@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]2C)sc1C ZINC001132034898 1375109691 /nfs/dbraw/zinc/10/96/91/1375109691.db2.gz WGWPHNAVIONZMU-BBRMVZONSA-N 1 2 347.528 3.279 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC001132046391 1375116011 /nfs/dbraw/zinc/11/60/11/1375116011.db2.gz OEHKPXPXJQYPKX-BBRMVZONSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC001132046391 1375116012 /nfs/dbraw/zinc/11/60/12/1375116012.db2.gz OEHKPXPXJQYPKX-BBRMVZONSA-N 1 2 348.849 3.362 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ncc(C)o2)C1 ZINC001132057167 1375123461 /nfs/dbraw/zinc/12/34/61/1375123461.db2.gz KMSAADXFVOEHLM-WMLDXEAASA-N 1 2 331.460 3.221 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ncc(C)o2)C1 ZINC001132057167 1375123464 /nfs/dbraw/zinc/12/34/64/1375123464.db2.gz KMSAADXFVOEHLM-WMLDXEAASA-N 1 2 331.460 3.221 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001132067947 1375130301 /nfs/dbraw/zinc/13/03/01/1375130301.db2.gz BSNIWTQPGLOBMT-CJNGLKHVSA-N 1 2 333.476 3.363 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001132067947 1375130303 /nfs/dbraw/zinc/13/03/03/1375130303.db2.gz BSNIWTQPGLOBMT-CJNGLKHVSA-N 1 2 333.476 3.363 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001132223478 1375220641 /nfs/dbraw/zinc/22/06/41/1375220641.db2.gz DUUAONIQLPXREC-ZWKOTPCHSA-N 1 2 344.503 3.127 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001132223478 1375220645 /nfs/dbraw/zinc/22/06/45/1375220645.db2.gz DUUAONIQLPXREC-ZWKOTPCHSA-N 1 2 344.503 3.127 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2csc(CC)n2)C1 ZINC001132223052 1375220917 /nfs/dbraw/zinc/22/09/17/1375220917.db2.gz AZNIOUSOFLSGQO-HOTGVXAUSA-N 1 2 347.528 3.368 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2csc(CC)n2)C1 ZINC001132223052 1375220918 /nfs/dbraw/zinc/22/09/18/1375220918.db2.gz AZNIOUSOFLSGQO-HOTGVXAUSA-N 1 2 347.528 3.368 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccncc2Cl)C1 ZINC001132235412 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N#Cc1ccc(N2CC[NH+](Cc3ccccc3OC(F)F)CC2)cc1 ZINC001138908877 1377801816 /nfs/dbraw/zinc/80/18/16/1377801816.db2.gz SRXCQYMOTFUJEV-UHFFFAOYSA-N 1 2 343.377 3.482 20 30 EGEDLO C=CCOc1ccccc1C[N@@H+]1Cc2ncn(C)c2[C@H](COCC)C1 ZINC001139028133 1377819859 /nfs/dbraw/zinc/81/98/59/1377819859.db2.gz NFTSFRJPXOQWKC-KRWDZBQOSA-N 1 2 341.455 3.121 20 30 EGEDLO C=CCOc1ccccc1C[N@H+]1Cc2ncn(C)c2[C@H](COCC)C1 ZINC001139028133 1377819861 /nfs/dbraw/zinc/81/98/61/1377819861.db2.gz NFTSFRJPXOQWKC-KRWDZBQOSA-N 1 2 341.455 3.121 20 30 EGEDLO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001139527038 1377897393 /nfs/dbraw/zinc/89/73/93/1377897393.db2.gz UCPTUBSKCMDSNR-UHFFFAOYSA-N 1 2 345.418 3.283 20 30 EGEDLO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001139527038 1377897394 /nfs/dbraw/zinc/89/73/94/1377897394.db2.gz UCPTUBSKCMDSNR-UHFFFAOYSA-N 1 2 345.418 3.283 20 30 EGEDLO N#Cc1cccc(N2CC[NH+](Cc3ccc(O)cc3Cl)CC2)c1 ZINC001140083967 1378004274 /nfs/dbraw/zinc/00/42/74/1378004274.db2.gz SRYVVYCACCESFI-UHFFFAOYSA-N 1 2 327.815 3.239 20 30 EGEDLO N#Cc1ccc2[nH]cc(CN3CC[NH+](Cc4ccccc4F)CC3)c2c1 ZINC001140114067 1378010451 /nfs/dbraw/zinc/01/04/51/1378010451.db2.gz JJYROZKAESYAOZ-UHFFFAOYSA-N 1 2 348.425 3.496 20 30 EGEDLO Cc1cc(F)ccc1N1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC001140140438 1378018078 /nfs/dbraw/zinc/01/80/78/1378018078.db2.gz YYYRABBNBBAHHZ-UHFFFAOYSA-N 1 2 327.378 3.467 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2OC)C1 ZINC001140731317 1378126155 /nfs/dbraw/zinc/12/61/55/1378126155.db2.gz SVMCCDXQJXALEV-ZDUSSCGKSA-N 1 2 338.835 3.225 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2c(Cl)cccc2OC)C1 ZINC001140731317 1378126158 /nfs/dbraw/zinc/12/61/58/1378126158.db2.gz SVMCCDXQJXALEV-ZDUSSCGKSA-N 1 2 338.835 3.225 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001140815241 1378148910 /nfs/dbraw/zinc/14/89/10/1378148910.db2.gz KMXMNFWEJUJETE-OAHLLOKOSA-N 1 2 333.819 3.088 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001140815241 1378148913 /nfs/dbraw/zinc/14/89/13/1378148913.db2.gz KMXMNFWEJUJETE-OAHLLOKOSA-N 1 2 333.819 3.088 20 30 EGEDLO O=C1C=C2C[N@H+](Cc3ccc(OC(F)(F)F)c(F)c3)CC[C@H]2S1 ZINC001140886440 1378169893 /nfs/dbraw/zinc/16/98/93/1378169893.db2.gz YSZVLCWAAMMOFZ-CYBMUJFWSA-N 1 2 347.333 3.498 20 30 EGEDLO O=C1C=C2C[N@@H+](Cc3ccc(OC(F)(F)F)c(F)c3)CC[C@H]2S1 ZINC001140886440 1378169894 /nfs/dbraw/zinc/16/98/94/1378169894.db2.gz YSZVLCWAAMMOFZ-CYBMUJFWSA-N 1 2 347.333 3.498 20 30 EGEDLO COc1ccc(O[C@@H]2CCC[N@H+](Cc3ccc(F)cc3C#N)C2)nc1 ZINC001141167891 1378259057 /nfs/dbraw/zinc/25/90/57/1378259057.db2.gz DGIOUULLGMOETC-GOSISDBHSA-N 1 2 341.386 3.144 20 30 EGEDLO COc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3C#N)C2)nc1 ZINC001141167891 1378259064 /nfs/dbraw/zinc/25/90/64/1378259064.db2.gz DGIOUULLGMOETC-GOSISDBHSA-N 1 2 341.386 3.144 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc(I)cs2)C1 ZINC001141865230 1378387888 /nfs/dbraw/zinc/38/78/88/1378387888.db2.gz ZZDRACAOIRQDEX-JTQLQIEISA-N 1 2 346.237 3.478 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(I)cs2)C1 ZINC001141865230 1378387891 /nfs/dbraw/zinc/38/78/91/1378387891.db2.gz ZZDRACAOIRQDEX-JTQLQIEISA-N 1 2 346.237 3.478 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)CCSc2nc3ccccc3s2)CC1 ZINC001142395525 1378439156 /nfs/dbraw/zinc/43/91/56/1378439156.db2.gz KICVJAGKTXKAJP-UHFFFAOYSA-N 1 2 347.509 3.109 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C(CC)CC)C[C@H]1C ZINC001281652496 1378447812 /nfs/dbraw/zinc/44/78/12/1378447812.db2.gz ORJCAJMHROGMGV-TZMCWYRMSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C(CC)CC)C[C@H]1C ZINC001281652496 1378447815 /nfs/dbraw/zinc/44/78/15/1378447815.db2.gz ORJCAJMHROGMGV-TZMCWYRMSA-N 1 2 331.298 3.300 20 30 EGEDLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)cc(OC(F)(F)F)c2)C1 ZINC001143256690 1378570774 /nfs/dbraw/zinc/57/07/74/1378570774.db2.gz RDETXWLQJFFBAF-NSHDSACASA-N 1 2 347.230 3.223 20 30 EGEDLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)cc(OC(F)(F)F)c2)C1 ZINC001143256690 1378570776 /nfs/dbraw/zinc/57/07/76/1378570776.db2.gz RDETXWLQJFFBAF-NSHDSACASA-N 1 2 347.230 3.223 20 30 EGEDLO C#Cc1ccc(C[N@@H+]2Cc3nn(CC4CC4)cc3[C@H](COC)C2)cc1 ZINC001144569422 1378746143 /nfs/dbraw/zinc/74/61/43/1378746143.db2.gz RDDLJUJRLHBWJL-IBGZPJMESA-N 1 2 335.451 3.020 20 30 EGEDLO C#Cc1ccc(C[N@H+]2Cc3nn(CC4CC4)cc3[C@H](COC)C2)cc1 ZINC001144569422 1378746144 /nfs/dbraw/zinc/74/61/44/1378746144.db2.gz RDDLJUJRLHBWJL-IBGZPJMESA-N 1 2 335.451 3.020 20 30 EGEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001146951874 1378947399 /nfs/dbraw/zinc/94/73/99/1378947399.db2.gz XIINKMHTLBUUES-OAHLLOKOSA-N 1 2 334.379 3.174 20 30 EGEDLO CCC[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001147250370 1378997312 /nfs/dbraw/zinc/99/73/12/1378997312.db2.gz JNVAFMMVZLYHJT-HNNXBMFYSA-N 1 2 343.446 3.168 20 30 EGEDLO CCC[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001147250370 1378997315 /nfs/dbraw/zinc/99/73/15/1378997315.db2.gz JNVAFMMVZLYHJT-HNNXBMFYSA-N 1 2 343.446 3.168 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@H+](Cc1coc(C3CC3)n1)C2 ZINC001148371811 1379158073 /nfs/dbraw/zinc/15/80/73/1379158073.db2.gz PORSNQWWDKQVOZ-UHFFFAOYSA-N 1 2 343.471 3.189 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@@H+](Cc1coc(C3CC3)n1)C2 ZINC001148371811 1379158077 /nfs/dbraw/zinc/15/80/77/1379158077.db2.gz PORSNQWWDKQVOZ-UHFFFAOYSA-N 1 2 343.471 3.189 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1ccoc1C ZINC001151792666 1379781367 /nfs/dbraw/zinc/78/13/67/1379781367.db2.gz QVSBCRFQJRXQDN-CYBMUJFWSA-N 1 2 343.402 3.239 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1ccoc1C ZINC001151792666 1379781370 /nfs/dbraw/zinc/78/13/70/1379781370.db2.gz QVSBCRFQJRXQDN-CYBMUJFWSA-N 1 2 343.402 3.239 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@H](C)C(C)C ZINC001152333745 1379912115 /nfs/dbraw/zinc/91/21/15/1379912115.db2.gz PCGPOGZSZRDAJF-GXTWGEPZSA-N 1 2 333.314 3.404 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)C(C)C ZINC001152333745 1379912120 /nfs/dbraw/zinc/91/21/20/1379912120.db2.gz PCGPOGZSZRDAJF-GXTWGEPZSA-N 1 2 333.314 3.404 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2ncc(CC)o2)CCC1 ZINC001155061752 1380400814 /nfs/dbraw/zinc/40/08/14/1380400814.db2.gz GPHMDHPIYRQQMX-OAHLLOKOSA-N 1 2 333.476 3.310 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2ncc(CC)o2)CCC1 ZINC001155061752 1380400816 /nfs/dbraw/zinc/40/08/16/1380400816.db2.gz GPHMDHPIYRQQMX-OAHLLOKOSA-N 1 2 333.476 3.310 20 30 EGEDLO COCOc1ccc(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)nc1 ZINC001155850556 1380498515 /nfs/dbraw/zinc/49/85/15/1380498515.db2.gz PQHOJZXRQAMMEK-UHFFFAOYSA-N 1 2 325.290 3.120 20 30 EGEDLO Nc1[nH]c2cc(C(=O)N3CCC(C#Cc4ccccc4)CC3)ccc2[nH+]1 ZINC001156972381 1380740246 /nfs/dbraw/zinc/74/02/46/1380740246.db2.gz ZENYWIUWGINGJJ-UHFFFAOYSA-N 1 2 344.418 3.049 20 30 EGEDLO C=C[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C)o1)c1ccccc1 ZINC001157046737 1380758789 /nfs/dbraw/zinc/75/87/89/1380758789.db2.gz FDJYJPRDXJPFFP-CRAIPNDOSA-N 1 2 341.455 3.279 20 30 EGEDLO C=C[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C)o1)c1ccccc1 ZINC001157046737 1380758792 /nfs/dbraw/zinc/75/87/92/1380758792.db2.gz FDJYJPRDXJPFFP-CRAIPNDOSA-N 1 2 341.455 3.279 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)CC1CC1 ZINC001157450719 1380905193 /nfs/dbraw/zinc/90/51/93/1380905193.db2.gz UTMMVOYBTJVZFB-CQSZACIVSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CC1CC1 ZINC001157450719 1380905208 /nfs/dbraw/zinc/90/52/08/1380905208.db2.gz UTMMVOYBTJVZFB-CQSZACIVSA-N 1 2 329.282 3.008 20 30 EGEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC=C(Cl)Cl ZINC001157908435 1381067130 /nfs/dbraw/zinc/06/71/30/1381067130.db2.gz UASQDQKLAQWTFJ-CQSZACIVSA-N 1 2 331.287 3.422 20 30 EGEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC=C(Cl)Cl ZINC001157908435 1381067135 /nfs/dbraw/zinc/06/71/35/1381067135.db2.gz UASQDQKLAQWTFJ-CQSZACIVSA-N 1 2 331.287 3.422 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC001158426543 1381241471 /nfs/dbraw/zinc/24/14/71/1381241471.db2.gz NBSBNTQZYMHPGN-GDBMZVCRSA-N 1 2 334.464 3.108 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@H](C)c1nc(C)no1 ZINC001158426543 1381241472 /nfs/dbraw/zinc/24/14/72/1381241472.db2.gz NBSBNTQZYMHPGN-GDBMZVCRSA-N 1 2 334.464 3.108 20 30 EGEDLO N#Cc1ccc(CCC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001288267281 1381757007 /nfs/dbraw/zinc/75/70/07/1381757007.db2.gz PNRQCVFCNPXUSJ-FQEVSTJZSA-N 1 2 344.418 3.245 20 30 EGEDLO C=CCOc1ccccc1[C@@H](C)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC001160178454 1382026160 /nfs/dbraw/zinc/02/61/60/1382026160.db2.gz IUNSSNRAYSOMRO-OAHLLOKOSA-N 1 2 340.427 3.051 20 30 EGEDLO C=CCOc1ccccc1[C@@H](C)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC001160178454 1382026163 /nfs/dbraw/zinc/02/61/63/1382026163.db2.gz IUNSSNRAYSOMRO-OAHLLOKOSA-N 1 2 340.427 3.051 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCC1=CC[N@H+](Cc2cscn2)CC1 ZINC001160940300 1382243877 /nfs/dbraw/zinc/24/38/77/1382243877.db2.gz BHZDDHRAWONZJW-HUUCEWRRSA-N 1 2 333.501 3.240 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCC1=CC[N@@H+](Cc2cscn2)CC1 ZINC001160940300 1382243887 /nfs/dbraw/zinc/24/38/87/1382243887.db2.gz BHZDDHRAWONZJW-HUUCEWRRSA-N 1 2 333.501 3.240 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2nc(C)c(C)o2)CC1 ZINC001160941798 1382244586 /nfs/dbraw/zinc/24/45/86/1382244586.db2.gz QAAIPLJELMNRJJ-CABCVRRESA-N 1 2 345.487 3.388 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2nc(C)c(C)o2)CC1 ZINC001160941798 1382244587 /nfs/dbraw/zinc/24/45/87/1382244587.db2.gz QAAIPLJELMNRJJ-CABCVRRESA-N 1 2 345.487 3.388 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2ncccn2)CC1 ZINC001160990457 1382263170 /nfs/dbraw/zinc/26/31/70/1382263170.db2.gz AQXSVNYDEDBWFB-IRXDYDNUSA-N 1 2 342.487 3.278 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@H+]([C@@H](C)c2ncccn2)CC1 ZINC001160990457 1382263172 /nfs/dbraw/zinc/26/31/72/1382263172.db2.gz AQXSVNYDEDBWFB-IRXDYDNUSA-N 1 2 342.487 3.278 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@@H+]([C@H](C)c2nnc(C)o2)CC1 ZINC001160991146 1382264469 /nfs/dbraw/zinc/26/44/69/1382264469.db2.gz MBQQMAWUFGTNMO-ZBFHGGJFSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@H+]([C@H](C)c2nnc(C)o2)CC1 ZINC001160991146 1382264473 /nfs/dbraw/zinc/26/44/73/1382264473.db2.gz MBQQMAWUFGTNMO-ZBFHGGJFSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)C(C)(C)CC)CC1 ZINC001161063311 1382288336 /nfs/dbraw/zinc/28/83/36/1382288336.db2.gz UQKSMVYYYHTOMV-UHFFFAOYSA-N 1 2 343.309 3.470 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)C(C)(C)CC)CC1 ZINC001161063311 1382288341 /nfs/dbraw/zinc/28/83/41/1382288341.db2.gz UQKSMVYYYHTOMV-UHFFFAOYSA-N 1 2 343.309 3.470 20 30 EGEDLO C=CCCCC(=O)NCCC1=CC[N@H+]([C@@H](C)c2nc(CC)no2)CC1 ZINC001161063236 1382288439 /nfs/dbraw/zinc/28/84/39/1382288439.db2.gz RUMSGWMEIVDOAF-HNNXBMFYSA-N 1 2 346.475 3.188 20 30 EGEDLO C=CCCCC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nc(CC)no2)CC1 ZINC001161063236 1382288447 /nfs/dbraw/zinc/28/84/47/1382288447.db2.gz RUMSGWMEIVDOAF-HNNXBMFYSA-N 1 2 346.475 3.188 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@H+](Cc2ncc(C)o2)CC1 ZINC001161116360 1382304207 /nfs/dbraw/zinc/30/42/07/1382304207.db2.gz FNEURRPDENGHNO-IBGZPJMESA-N 1 2 331.460 3.224 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@@H+](Cc2ncc(C)o2)CC1 ZINC001161116360 1382304212 /nfs/dbraw/zinc/30/42/12/1382304212.db2.gz FNEURRPDENGHNO-IBGZPJMESA-N 1 2 331.460 3.224 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@H+](Cc2nccs2)CC1 ZINC001161116659 1382305342 /nfs/dbraw/zinc/30/53/42/1382305342.db2.gz NCPUQRGNTOBLLA-SFHVURJKSA-N 1 2 333.501 3.384 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@@H+](Cc2nccs2)CC1 ZINC001161116659 1382305345 /nfs/dbraw/zinc/30/53/45/1382305345.db2.gz NCPUQRGNTOBLLA-SFHVURJKSA-N 1 2 333.501 3.384 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1=CC[N@H+]([C@H](C)c2nnc(C)o2)CC1 ZINC001161343408 1382376624 /nfs/dbraw/zinc/37/66/24/1382376624.db2.gz BZNBSXHUOLWGDX-CQSZACIVSA-N 1 2 346.475 3.180 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1=CC[N@@H+]([C@H](C)c2nnc(C)o2)CC1 ZINC001161343408 1382376629 /nfs/dbraw/zinc/37/66/29/1382376629.db2.gz BZNBSXHUOLWGDX-CQSZACIVSA-N 1 2 346.475 3.180 20 30 EGEDLO COc1ccc(Cn2cncc2CNc2cc(CC#N)cc[nH+]2)cc1 ZINC001161510551 1382427314 /nfs/dbraw/zinc/42/73/14/1382427314.db2.gz NYXXTTRKOQRIBT-UHFFFAOYSA-N 1 2 333.395 3.013 20 30 EGEDLO CCCCCCCC(=O)c1ccc(O)c(C(=O)N2C[C@@H]([NH3+])C[C@H]2C)c1 ZINC001161530426 1382431610 /nfs/dbraw/zinc/43/16/10/1382431610.db2.gz ZFEHMQPGPPGBQT-ZBFHGGJFSA-N 1 2 346.471 3.497 20 30 EGEDLO CC(C)n1c[nH+]cc1CNC(F)(F)c1cc(C#N)cc(Cl)n1 ZINC001161565267 1382440213 /nfs/dbraw/zinc/44/02/13/1382440213.db2.gz KGLKHLKWZJUSIF-UHFFFAOYSA-N 1 2 325.750 3.223 20 30 EGEDLO Cc1nc(N[C@H](C[NH+]2CCOCC2)C(C)(C)C)c(Cl)cc1C#N ZINC001162882803 1382904638 /nfs/dbraw/zinc/90/46/38/1382904638.db2.gz RUJTUVVOQNKCOD-OAHLLOKOSA-N 1 2 336.867 3.074 20 30 EGEDLO COC(=O)[C@H](CNc1[nH+]ccc2ccc(C#N)cc21)c1ccccc1 ZINC001162998419 1382942770 /nfs/dbraw/zinc/94/27/70/1382942770.db2.gz KTHXISQYHQAVJP-GOSISDBHSA-N 1 2 331.375 3.475 20 30 EGEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC001168475761 1383917341 /nfs/dbraw/zinc/91/73/41/1383917341.db2.gz PEPLVYLDBYVUCO-KUHUBIRLSA-N 1 2 340.398 3.002 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](C#N)C2)C[C@@H]1C(F)(F)F ZINC001168562099 1383937691 /nfs/dbraw/zinc/93/76/91/1383937691.db2.gz WTVAESKYZQVPCV-RWMBFGLXSA-N 1 2 347.381 3.162 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@@H](C#N)C2)C[C@@H]1C(F)(F)F ZINC001168562099 1383937692 /nfs/dbraw/zinc/93/76/92/1383937692.db2.gz WTVAESKYZQVPCV-RWMBFGLXSA-N 1 2 347.381 3.162 20 30 EGEDLO COc1c(C)c[nH+]c(CNC(=O)Nc2cc(C#N)c(F)cc2F)c1C ZINC001311136899 1384261084 /nfs/dbraw/zinc/26/10/84/1384261084.db2.gz ZBAHCEBALNPHNG-UHFFFAOYSA-N 1 2 346.337 3.179 20 30 EGEDLO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1[C@H](C)Cc1cccc(C#N)c1 ZINC001171223339 1384472711 /nfs/dbraw/zinc/47/27/11/1384472711.db2.gz MZDCYCPDGKHGSO-FOIQADDNSA-N 1 2 334.419 3.089 20 30 EGEDLO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1[C@H](C)Cc1cccc(C#N)c1 ZINC001171223339 1384472713 /nfs/dbraw/zinc/47/27/13/1384472713.db2.gz MZDCYCPDGKHGSO-FOIQADDNSA-N 1 2 334.419 3.089 20 30 EGEDLO COc1cc(Cl)c(Cl)cc1NC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001171259191 1384480204 /nfs/dbraw/zinc/48/02/04/1384480204.db2.gz YAYIZFSVBHEZTO-UHFFFAOYSA-N 1 2 338.194 3.138 20 30 EGEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1[nH+]ccc2cc(-c3ccc(F)cc3)[nH]c21 ZINC001171362396 1384502713 /nfs/dbraw/zinc/50/27/13/1384502713.db2.gz DDZFXNNGZNZCMD-BONVTDFDSA-N 1 2 340.358 3.017 20 30 EGEDLO C[C@H](C#N)C(=O)N(C)C1CC[NH+]([C@@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC001316932295 1384703007 /nfs/dbraw/zinc/70/30/07/1384703007.db2.gz WTXVMZJLDIPIQD-KGLIPLIRSA-N 1 2 346.475 3.116 20 30 EGEDLO C[C@@H](CCCC#N)[N@@H+]1CCn2c(COc3cccnc3)cnc2[C@H]1C ZINC001172499473 1384805825 /nfs/dbraw/zinc/80/58/25/1384805825.db2.gz SCRSJKYYTWSHBR-JKSUJKDBSA-N 1 2 339.443 3.316 20 30 EGEDLO C[C@@H](CCCC#N)[N@H+]1CCn2c(COc3cccnc3)cnc2[C@H]1C ZINC001172499473 1384805830 /nfs/dbraw/zinc/80/58/30/1384805830.db2.gz SCRSJKYYTWSHBR-JKSUJKDBSA-N 1 2 339.443 3.316 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC001317038196 1384810059 /nfs/dbraw/zinc/81/00/59/1384810059.db2.gz BQMXQXFKTWPJRC-AWEZNQCLSA-N 1 2 346.862 3.099 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC001317038196 1384810061 /nfs/dbraw/zinc/81/00/61/1384810061.db2.gz BQMXQXFKTWPJRC-AWEZNQCLSA-N 1 2 346.862 3.099 20 30 EGEDLO CC(C)[C@](C)(C#N)[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173410225 1384968047 /nfs/dbraw/zinc/96/80/47/1384968047.db2.gz BUNSBQLZFANCQH-SFHVURJKSA-N 1 2 333.863 3.472 20 30 EGEDLO CC1(C#N)CCC([N@@H+]2CCN3C[C@H](Oc4ccccc4)C[C@H]3C2)CC1 ZINC001173594696 1384983672 /nfs/dbraw/zinc/98/36/72/1384983672.db2.gz JXVMYUSQZGQKIM-JLMIFGBASA-N 1 2 339.483 3.296 20 30 EGEDLO CC1(C#N)CCC([N@H+]2CCN3C[C@H](Oc4ccccc4)C[C@H]3C2)CC1 ZINC001173594696 1384983679 /nfs/dbraw/zinc/98/36/79/1384983679.db2.gz JXVMYUSQZGQKIM-JLMIFGBASA-N 1 2 339.483 3.296 20 30 EGEDLO C[C@H](C#N)C(=O)NCC[N@H+](Cc1ccc(Cl)cc1Cl)C1CC1 ZINC001317549140 1385304426 /nfs/dbraw/zinc/30/44/26/1385304426.db2.gz LHPPDOVMIRAEGL-LLVKDONJSA-N 1 2 340.254 3.234 20 30 EGEDLO C[C@H](C#N)C(=O)NCC[N@@H+](Cc1ccc(Cl)cc1Cl)C1CC1 ZINC001317549140 1385304430 /nfs/dbraw/zinc/30/44/30/1385304430.db2.gz LHPPDOVMIRAEGL-LLVKDONJSA-N 1 2 340.254 3.234 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)C(C)(C)c1cccc(F)c1)C1CC1 ZINC001317556273 1385325062 /nfs/dbraw/zinc/32/50/62/1385325062.db2.gz BNCLPXAEKYKSTF-UHFFFAOYSA-N 1 2 338.854 3.436 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)C(C)(C)c1cccc(F)c1)C1CC1 ZINC001317556273 1385325066 /nfs/dbraw/zinc/32/50/66/1385325066.db2.gz BNCLPXAEKYKSTF-UHFFFAOYSA-N 1 2 338.854 3.436 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cccc(OC)c2)C1 ZINC001317769473 1385459514 /nfs/dbraw/zinc/45/95/14/1385459514.db2.gz DOMVZYGJVLSVLS-INIZCTEOSA-N 1 2 336.863 3.374 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cccc(OC)c2)C1 ZINC001317769473 1385459517 /nfs/dbraw/zinc/45/95/17/1385459517.db2.gz DOMVZYGJVLSVLS-INIZCTEOSA-N 1 2 336.863 3.374 20 30 EGEDLO C=C[C@H](CC(=O)NCCC[NH2+]CC(F)(F)C(F)F)c1ccccc1 ZINC001176762429 1385687519 /nfs/dbraw/zinc/68/75/19/1385687519.db2.gz BKHTZHZPTILAGE-CYBMUJFWSA-N 1 2 346.368 3.343 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@@H+](Cc3cccc(CC)c3)[C@@H]2C1 ZINC001176955406 1385754408 /nfs/dbraw/zinc/75/44/08/1385754408.db2.gz SNAFTIOWNOKMJS-WOJBJXKFSA-N 1 2 342.483 3.017 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@H+](Cc3cccc(CC)c3)[C@@H]2C1 ZINC001176955406 1385754412 /nfs/dbraw/zinc/75/44/12/1385754412.db2.gz SNAFTIOWNOKMJS-WOJBJXKFSA-N 1 2 342.483 3.017 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@@H+](Cc3ccc(CC)cc3)[C@@H]2C1 ZINC001176955484 1385755283 /nfs/dbraw/zinc/75/52/83/1385755283.db2.gz UIAYEZHRARRUGZ-UXHICEINSA-N 1 2 342.483 3.017 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@H+](Cc3ccc(CC)cc3)[C@@H]2C1 ZINC001176955484 1385755285 /nfs/dbraw/zinc/75/52/85/1385755285.db2.gz UIAYEZHRARRUGZ-UXHICEINSA-N 1 2 342.483 3.017 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]3OCC[N@@H+](CC=C(C)C)[C@H]3C2)CCC1 ZINC001177101313 1385812066 /nfs/dbraw/zinc/81/20/66/1385812066.db2.gz LFAFLDQGNIVIGE-ROUUACIJSA-N 1 2 332.488 3.001 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]3OCC[N@H+](CC=C(C)C)[C@H]3C2)CCC1 ZINC001177101313 1385812073 /nfs/dbraw/zinc/81/20/73/1385812073.db2.gz LFAFLDQGNIVIGE-ROUUACIJSA-N 1 2 332.488 3.001 20 30 EGEDLO O=C(CCc1[nH]cc[nH+]1)NC1=C(c2ccccc2)C(=O)c2ccccc21 ZINC001177998200 1386105561 /nfs/dbraw/zinc/10/55/61/1386105561.db2.gz MUBHTXJDQVUVLF-UHFFFAOYSA-N 1 2 343.386 3.223 20 30 EGEDLO Cc1cc(N2CCN(c3ccc(C#N)cn3)CC2)[nH+]c2ccccc12 ZINC001319518627 1386157903 /nfs/dbraw/zinc/15/79/03/1386157903.db2.gz QMZKDHXFAIOXQY-UHFFFAOYSA-N 1 2 329.407 3.137 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)[C@@](C)(OC)c2cccc3ccccc32)CC1 ZINC001178676616 1386275674 /nfs/dbraw/zinc/27/56/74/1386275674.db2.gz LHJJBICWYUCWOK-NRFANRHFSA-N 1 2 338.451 3.032 20 30 EGEDLO CCCCCCC[NH2+][C@H]1CCN(C(=O)C(F)C(F)(F)F)[C@H]1C ZINC001178746473 1386293912 /nfs/dbraw/zinc/29/39/12/1386293912.db2.gz GACNTAMKGDSBBK-RWMBFGLXSA-N 1 2 326.378 3.436 20 30 EGEDLO CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)[C@H]1C ZINC001178746473 1386293914 /nfs/dbraw/zinc/29/39/14/1386293914.db2.gz GACNTAMKGDSBBK-RWMBFGLXSA-N 1 2 326.378 3.436 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1ccc(CF)cc1 ZINC001320090618 1386504696 /nfs/dbraw/zinc/50/46/96/1386504696.db2.gz NMLUWEHPAILVCJ-UHFFFAOYSA-N 1 2 339.414 3.232 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1ccc(CF)cc1 ZINC001320090618 1386504699 /nfs/dbraw/zinc/50/46/99/1386504699.db2.gz NMLUWEHPAILVCJ-UHFFFAOYSA-N 1 2 339.414 3.232 20 30 EGEDLO Cc1c[nH+]c(CCNc2nc(Br)ccc2C#N)c(C)c1 ZINC001336683118 1389133432 /nfs/dbraw/zinc/13/34/32/1389133432.db2.gz XONRUCZAOJLWPJ-UHFFFAOYSA-N 1 2 331.217 3.382 20 30 EGEDLO C[C@H](CNc1ccc(C#N)c(Br)c1F)Cn1cc[nH+]c1 ZINC001337735133 1389429850 /nfs/dbraw/zinc/42/98/50/1389429850.db2.gz SPZLEKFORFYWBD-SNVBAGLBSA-N 1 2 337.196 3.405 20 30 EGEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1C[C@H](C)c2ccccc21 ZINC001339091552 1389895747 /nfs/dbraw/zinc/89/57/47/1389895747.db2.gz XGYBBXGAPTVLKL-AWEZNQCLSA-N 1 2 334.427 3.044 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC(OC(C)C)CC1 ZINC001339528173 1390056868 /nfs/dbraw/zinc/05/68/68/1390056868.db2.gz FDSSGNDREVJRNY-QGZVFWFLSA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC(OC(C)C)CC1 ZINC001339528173 1390056874 /nfs/dbraw/zinc/05/68/74/1390056874.db2.gz FDSSGNDREVJRNY-QGZVFWFLSA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N(C)OC ZINC001340427851 1390287331 /nfs/dbraw/zinc/28/73/31/1390287331.db2.gz LYZQMAVWAREEPT-QGZVFWFLSA-N 1 2 341.459 3.189 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N(C)OC ZINC001340427851 1390287334 /nfs/dbraw/zinc/28/73/34/1390287334.db2.gz LYZQMAVWAREEPT-QGZVFWFLSA-N 1 2 341.459 3.189 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1cscn1 ZINC001342327511 1390601366 /nfs/dbraw/zinc/60/13/66/1390601366.db2.gz BYCNOQOZWJHIKG-HNNXBMFYSA-N 1 2 346.504 3.104 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)Cc1cscn1 ZINC001342327511 1390601370 /nfs/dbraw/zinc/60/13/70/1390601370.db2.gz BYCNOQOZWJHIKG-HNNXBMFYSA-N 1 2 346.504 3.104 20 30 EGEDLO CCCN(CCC)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC ZINC001342686257 1390641452 /nfs/dbraw/zinc/64/14/52/1390641452.db2.gz QWTNCDQOOYOYRK-UHFFFAOYSA-N 1 2 332.496 3.017 20 30 EGEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)C[C@H](C)CC ZINC001343007742 1390683276 /nfs/dbraw/zinc/68/32/76/1390683276.db2.gz SBSVYCYLOCDGHG-SJORKVTESA-N 1 2 349.523 3.118 20 30 EGEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)C[C@H](C)CC ZINC001343007742 1390683279 /nfs/dbraw/zinc/68/32/79/1390683279.db2.gz SBSVYCYLOCDGHG-SJORKVTESA-N 1 2 349.523 3.118 20 30 EGEDLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 ZINC001343273369 1390704174 /nfs/dbraw/zinc/70/41/74/1390704174.db2.gz HIRFRORVMYSUTB-GXTWGEPZSA-N 1 2 331.416 3.484 20 30 EGEDLO CC(C)[N@H+]1CCC[C@@H]1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 ZINC001343273369 1390704175 /nfs/dbraw/zinc/70/41/75/1390704175.db2.gz HIRFRORVMYSUTB-GXTWGEPZSA-N 1 2 331.416 3.484 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001343456834 1390715304 /nfs/dbraw/zinc/71/53/04/1390715304.db2.gz JECHTRRGCKDSEP-OAHLLOKOSA-N 1 2 347.507 3.015 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001343456834 1390715305 /nfs/dbraw/zinc/71/53/05/1390715305.db2.gz JECHTRRGCKDSEP-OAHLLOKOSA-N 1 2 347.507 3.015 20 30 EGEDLO CC(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC(CC#N)CC1 ZINC001343506300 1390718657 /nfs/dbraw/zinc/71/86/57/1390718657.db2.gz FQCHRWJUTAPTBP-QGZVFWFLSA-N 1 2 344.507 3.221 20 30 EGEDLO CC(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC(CC#N)CC1 ZINC001343506300 1390718658 /nfs/dbraw/zinc/71/86/58/1390718658.db2.gz FQCHRWJUTAPTBP-QGZVFWFLSA-N 1 2 344.507 3.221 20 30 EGEDLO CC(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001343506556 1390718676 /nfs/dbraw/zinc/71/86/76/1390718676.db2.gz GXJNGFGYJRDHJH-APWZRJJASA-N 1 2 344.507 3.221 20 30 EGEDLO CC(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001343506556 1390718677 /nfs/dbraw/zinc/71/86/77/1390718677.db2.gz GXJNGFGYJRDHJH-APWZRJJASA-N 1 2 344.507 3.221 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)Cc1cccc(F)c1 ZINC001343554389 1390722468 /nfs/dbraw/zinc/72/24/68/1390722468.db2.gz RFOGETCFBIOBGO-KRWDZBQOSA-N 1 2 343.450 3.396 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)Cc1cccc(F)c1 ZINC001343554389 1390722469 /nfs/dbraw/zinc/72/24/69/1390722469.db2.gz RFOGETCFBIOBGO-KRWDZBQOSA-N 1 2 343.450 3.396 20 30 EGEDLO C=CC[C@H]1CCCN(c2nnc([C@H]3CCC[N@@H+]3C)n2CC(C)C)C1 ZINC001344489570 1390794679 /nfs/dbraw/zinc/79/46/79/1390794679.db2.gz KYTHTWWOAAQTQN-DLBZAZTESA-N 1 2 331.508 3.493 20 30 EGEDLO C=CC[C@H]1CCCN(c2nnc([C@H]3CCC[N@H+]3C)n2CC(C)C)C1 ZINC001344489570 1390794680 /nfs/dbraw/zinc/79/46/80/1390794680.db2.gz KYTHTWWOAAQTQN-DLBZAZTESA-N 1 2 331.508 3.493 20 30 EGEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)CCC(C)(C)C ZINC001345994083 1390899308 /nfs/dbraw/zinc/89/93/08/1390899308.db2.gz LKVSEUDORSCNMF-UHFFFAOYSA-N 1 2 330.480 3.051 20 30 EGEDLO C[C@@H](CC(=O)[C@@H](C#N)c1nc2c(cccc2Cl)[nH]1)n1cc[nH+]c1 ZINC001347392716 1391067743 /nfs/dbraw/zinc/06/77/43/1391067743.db2.gz XXIKHYIBDQDQIV-WDEREUQCSA-N 1 2 327.775 3.240 20 30 EGEDLO CC(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](CC#N)C1 ZINC001347415078 1391072431 /nfs/dbraw/zinc/07/24/31/1391072431.db2.gz ZPQJCARGJGTZCY-DLBZAZTESA-N 1 2 344.507 3.221 20 30 EGEDLO CC(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](CC#N)C1 ZINC001347415078 1391072434 /nfs/dbraw/zinc/07/24/34/1391072434.db2.gz ZPQJCARGJGTZCY-DLBZAZTESA-N 1 2 344.507 3.221 20 30 EGEDLO C=C(CC)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC001351754477 1391684438 /nfs/dbraw/zinc/68/44/38/1391684438.db2.gz RUVRPXXTAVGYDF-UHFFFAOYSA-N 1 2 336.233 3.030 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C1(c2ccccc2C)CC1 ZINC001481073648 1393113901 /nfs/dbraw/zinc/11/39/01/1393113901.db2.gz QBJIOMMIMDCQQF-MRXNPFEDSA-N 1 2 332.875 3.360 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(c2ccccc2C)CC1 ZINC001481073648 1393113902 /nfs/dbraw/zinc/11/39/02/1393113902.db2.gz QBJIOMMIMDCQQF-MRXNPFEDSA-N 1 2 332.875 3.360 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1ccc(C)cc1Cl ZINC001485321077 1395798054 /nfs/dbraw/zinc/79/80/54/1395798054.db2.gz UMVPCAMTOITZJI-ZDUSSCGKSA-N 1 2 329.271 3.380 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1ccc(C)cc1Cl ZINC001485321077 1395798059 /nfs/dbraw/zinc/79/80/59/1395798059.db2.gz UMVPCAMTOITZJI-ZDUSSCGKSA-N 1 2 329.271 3.380 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCc1ccc(Cl)cc1 ZINC001698992840 1406784935 /nfs/dbraw/zinc/78/49/35/1406784935.db2.gz KABUYHGVGXZCEN-UHFFFAOYSA-N 1 2 329.271 3.415 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCc1ccc(Cl)cc1 ZINC001698992840 1406784940 /nfs/dbraw/zinc/78/49/40/1406784940.db2.gz KABUYHGVGXZCEN-UHFFFAOYSA-N 1 2 329.271 3.415 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H](c2cccnc2)C(C)C)C1 ZINC001690048454 1404282115 /nfs/dbraw/zinc/28/21/15/1404282115.db2.gz SKNYRIIYDFREHR-DLBZAZTESA-N 1 2 335.879 3.154 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](c2cccnc2)C(C)C)C1 ZINC001690048454 1404282120 /nfs/dbraw/zinc/28/21/20/1404282120.db2.gz SKNYRIIYDFREHR-DLBZAZTESA-N 1 2 335.879 3.154 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1ccsc1C ZINC001690455649 1404584452 /nfs/dbraw/zinc/58/44/52/1404584452.db2.gz WCLVDCIQHUBTQR-OAHLLOKOSA-N 1 2 326.893 3.322 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)Cc1ccsc1C ZINC001690455649 1404584449 /nfs/dbraw/zinc/58/44/49/1404584449.db2.gz WCLVDCIQHUBTQR-OAHLLOKOSA-N 1 2 326.893 3.322 20 30 EGEDLO Cc1[nH]c2ccccc2c1C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001690959284 1404867399 /nfs/dbraw/zinc/86/73/99/1404867399.db2.gz LEBZSKDVXYBSFG-UHFFFAOYSA-N 1 2 346.434 3.210 20 30 EGEDLO Cc1[nH]c2ccccc2c1C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001690959284 1404867401 /nfs/dbraw/zinc/86/74/01/1404867401.db2.gz LEBZSKDVXYBSFG-UHFFFAOYSA-N 1 2 346.434 3.210 20 30 EGEDLO C[C@H](C(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1)c1ccccc1 ZINC001691233104 1405173209 /nfs/dbraw/zinc/17/32/09/1405173209.db2.gz YCILPFBYHVFOEL-KRWDZBQOSA-N 1 2 347.462 3.443 20 30 EGEDLO C[C@H](C(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1)c1ccccc1 ZINC001691233104 1405173211 /nfs/dbraw/zinc/17/32/11/1405173211.db2.gz YCILPFBYHVFOEL-KRWDZBQOSA-N 1 2 347.462 3.443 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CCC[N@H+](Cc3ccns3)C2)CCCC1 ZINC001692162380 1405813831 /nfs/dbraw/zinc/81/38/31/1405813831.db2.gz RYIIBJFPGHNCBK-HNNXBMFYSA-N 1 2 333.501 3.360 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccns3)C2)CCCC1 ZINC001692162380 1405813837 /nfs/dbraw/zinc/81/38/37/1405813837.db2.gz RYIIBJFPGHNCBK-HNNXBMFYSA-N 1 2 333.501 3.360 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)CCC(F)(F)F ZINC001700184251 1413601369 /nfs/dbraw/zinc/60/13/69/1413601369.db2.gz SKXJNAHIDRVVIG-UHFFFAOYSA-N 1 2 345.203 3.018 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)CCC(F)(F)F ZINC001700184251 1413601372 /nfs/dbraw/zinc/60/13/72/1413601372.db2.gz SKXJNAHIDRVVIG-UHFFFAOYSA-N 1 2 345.203 3.018 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)c1cccs1 ZINC001700349069 1413839179 /nfs/dbraw/zinc/83/91/79/1413839179.db2.gz IUUXVQSTACNSRJ-GFCCVEGCSA-N 1 2 343.290 3.193 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1cccs1 ZINC001700349069 1413839182 /nfs/dbraw/zinc/83/91/82/1413839182.db2.gz IUUXVQSTACNSRJ-GFCCVEGCSA-N 1 2 343.290 3.193 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]([NH2+]Cc2ncc(C(C)C)o2)C1 ZINC001713149099 1417730007 /nfs/dbraw/zinc/73/00/07/1417730007.db2.gz UORYELOYSIMSKD-INIZCTEOSA-N 1 2 331.460 3.072 20 30 EGEDLO C[N@H+](CCNC(=O)c1csc(Cl)c1)Cc1ccccc1C#N ZINC001713469720 1418136688 /nfs/dbraw/zinc/13/66/88/1418136688.db2.gz WZZDXCPMBDFCGD-UHFFFAOYSA-N 1 2 333.844 3.135 20 30 EGEDLO C[N@@H+](CCNC(=O)c1csc(Cl)c1)Cc1ccccc1C#N ZINC001713469720 1418136691 /nfs/dbraw/zinc/13/66/91/1418136691.db2.gz WZZDXCPMBDFCGD-UHFFFAOYSA-N 1 2 333.844 3.135 20 30 EGEDLO CC(C)C[C@H](C)CC(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001713922406 1418715660 /nfs/dbraw/zinc/71/56/60/1418715660.db2.gz HIAZHHIAEWYYGL-INIZCTEOSA-N 1 2 327.472 3.179 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1c(F)cc(C)cc1F)C1CC1 ZINC001714666123 1419453917 /nfs/dbraw/zinc/45/39/17/1419453917.db2.gz GDSULXXVIZJYKP-UHFFFAOYSA-N 1 2 328.790 3.220 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1c(F)cc(C)cc1F)C1CC1 ZINC001714666123 1419453920 /nfs/dbraw/zinc/45/39/20/1419453920.db2.gz GDSULXXVIZJYKP-UHFFFAOYSA-N 1 2 328.790 3.220 20 30 EGEDLO CCC1(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)CCCC1 ZINC001715001467 1419732349 /nfs/dbraw/zinc/73/23/49/1419732349.db2.gz JYJXZCHPDPLLGT-KRWDZBQOSA-N 1 2 343.446 3.358 20 30 EGEDLO CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)CCCC1 ZINC001715001467 1419732351 /nfs/dbraw/zinc/73/23/51/1419732351.db2.gz JYJXZCHPDPLLGT-KRWDZBQOSA-N 1 2 343.446 3.358 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1c[nH]cc1-c1ccccc1 ZINC001715537709 1420234345 /nfs/dbraw/zinc/23/43/45/1420234345.db2.gz VFUVLAYXCOCUSK-UHFFFAOYSA-N 1 2 331.847 3.438 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1c[nH]cc1-c1ccccc1 ZINC001715537709 1420234346 /nfs/dbraw/zinc/23/43/46/1420234346.db2.gz VFUVLAYXCOCUSK-UHFFFAOYSA-N 1 2 331.847 3.438 20 30 EGEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)c1ccccc1F ZINC001715752514 1420325423 /nfs/dbraw/zinc/32/54/23/1420325423.db2.gz XFSFSRIZHCNONK-UHFFFAOYSA-N 1 2 343.377 3.040 20 30 EGEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)c1ccccc1F ZINC001715752514 1420325425 /nfs/dbraw/zinc/32/54/25/1420325425.db2.gz XFSFSRIZHCNONK-UHFFFAOYSA-N 1 2 343.377 3.040 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)CCc1ccsc1 ZINC001715837809 1420362708 /nfs/dbraw/zinc/36/27/08/1420362708.db2.gz CYRHLKPRKYFLEQ-UHFFFAOYSA-N 1 2 341.480 3.143 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)CCc1ccsc1 ZINC001715837809 1420362710 /nfs/dbraw/zinc/36/27/10/1420362710.db2.gz CYRHLKPRKYFLEQ-UHFFFAOYSA-N 1 2 341.480 3.143 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(Cl)c(OC)c1 ZINC001716497787 1420722715 /nfs/dbraw/zinc/72/27/15/1420722715.db2.gz NVQYWUGCYLSJGK-LLVKDONJSA-N 1 2 331.243 3.151 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(Cl)c(OC)c1 ZINC001716497787 1420722717 /nfs/dbraw/zinc/72/27/17/1420722717.db2.gz NVQYWUGCYLSJGK-LLVKDONJSA-N 1 2 331.243 3.151 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cnn(C2CCCCC2)c1 ZINC001722906350 1424236861 /nfs/dbraw/zinc/23/68/61/1424236861.db2.gz WDOUAFGBXGSNLB-AWEZNQCLSA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cnn(C2CCCCC2)c1 ZINC001722906350 1424236865 /nfs/dbraw/zinc/23/68/65/1424236865.db2.gz WDOUAFGBXGSNLB-AWEZNQCLSA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCc1ccccn1 ZINC001723635008 1424501451 /nfs/dbraw/zinc/50/14/51/1424501451.db2.gz WTQOHSDRUDKEIQ-MSOLQXFVSA-N 1 2 347.890 3.222 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCc1ccccn1 ZINC001723635008 1424501455 /nfs/dbraw/zinc/50/14/55/1424501455.db2.gz WTQOHSDRUDKEIQ-MSOLQXFVSA-N 1 2 347.890 3.222 20 30 EGEDLO CCC(CC)[C@@H](C)C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001731775218 1427891491 /nfs/dbraw/zinc/89/14/91/1427891491.db2.gz KJLHTEZTDPBTLG-CQSZACIVSA-N 1 2 333.451 3.318 20 30 EGEDLO CCC(CC)[C@@H](C)C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001731775218 1427891493 /nfs/dbraw/zinc/89/14/93/1427891493.db2.gz KJLHTEZTDPBTLG-CQSZACIVSA-N 1 2 333.451 3.318 20 30 EGEDLO C[N@H+](CCNC(=O)c1cc(F)ccc1Cl)Cc1ccccc1C#N ZINC001731785309 1427916509 /nfs/dbraw/zinc/91/65/09/1427916509.db2.gz MGPULLYPZCGMTG-UHFFFAOYSA-N 1 2 345.805 3.213 20 30 EGEDLO C[N@@H+](CCNC(=O)c1cc(F)ccc1Cl)Cc1ccccc1C#N ZINC001731785309 1427916512 /nfs/dbraw/zinc/91/65/12/1427916512.db2.gz MGPULLYPZCGMTG-UHFFFAOYSA-N 1 2 345.805 3.213 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cccc2ccncc21)C1CC1 ZINC001731883700 1428156230 /nfs/dbraw/zinc/15/62/30/1428156230.db2.gz KROZZUYGDMPBBE-UHFFFAOYSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cccc2ccncc21)C1CC1 ZINC001731883700 1428156231 /nfs/dbraw/zinc/15/62/31/1428156231.db2.gz KROZZUYGDMPBBE-UHFFFAOYSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccccc1OC1CCC1 ZINC001734054181 1437844667 /nfs/dbraw/zinc/84/46/67/1437844667.db2.gz RHPXFLMGZDXUJD-AWEZNQCLSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccccc1OC1CCC1 ZINC001734054181 1437844669 /nfs/dbraw/zinc/84/46/69/1437844669.db2.gz RHPXFLMGZDXUJD-AWEZNQCLSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCc1c[nH]c2ccccc12 ZINC001734063616 1437858457 /nfs/dbraw/zinc/85/84/57/1437858457.db2.gz ZXFLRQBMFKQNCN-CQSZACIVSA-N 1 2 333.863 3.290 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCc1c[nH]c2ccccc12 ZINC001734063616 1437858460 /nfs/dbraw/zinc/85/84/60/1437858460.db2.gz ZXFLRQBMFKQNCN-CQSZACIVSA-N 1 2 333.863 3.290 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CCc2cccc(Cl)c2)C1 ZINC001734121052 1437901523 /nfs/dbraw/zinc/90/15/23/1437901523.db2.gz ZKJWLCYZCJMNJX-CYBMUJFWSA-N 1 2 341.282 3.462 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CC12CC[NH+]([C@@H](C)c1noc(C)n1)CC2 ZINC001752435865 1440180077 /nfs/dbraw/zinc/18/00/77/1440180077.db2.gz UJUHFNXQTNRXJM-ZFWWWQNUSA-N 1 2 346.475 3.012 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@H]2C[N@H+](Cc3nnc(C)s3)CC[C@H]21 ZINC001752707780 1440203172 /nfs/dbraw/zinc/20/31/72/1440203172.db2.gz PMUBHFQMQQBEHX-JKSUJKDBSA-N 1 2 348.516 3.016 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@H]2C[N@@H+](Cc3nnc(C)s3)CC[C@H]21 ZINC001752707780 1440203173 /nfs/dbraw/zinc/20/31/73/1440203173.db2.gz PMUBHFQMQQBEHX-JKSUJKDBSA-N 1 2 348.516 3.016 20 30 EGEDLO C=C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(F)(F)C(F)F)C1)c1ccccc1 ZINC001752775562 1440206841 /nfs/dbraw/zinc/20/68/41/1440206841.db2.gz NYAQRPKGWJQEHP-MJBXVCDLSA-N 1 2 344.352 3.093 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCCCO1 ZINC001752822564 1440221457 /nfs/dbraw/zinc/22/14/57/1440221457.db2.gz KBKJLAQHJSKASN-CVEARBPZSA-N 1 2 328.884 3.059 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCCCO1 ZINC001752822564 1440221458 /nfs/dbraw/zinc/22/14/58/1440221458.db2.gz KBKJLAQHJSKASN-CVEARBPZSA-N 1 2 328.884 3.059 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1csnn1 ZINC001752833662 1440226424 /nfs/dbraw/zinc/22/64/24/1440226424.db2.gz IIDCIHGAFXGWMC-IAGOWNOFSA-N 1 2 348.516 3.240 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@H+]1Cc1csnn1 ZINC001752833662 1440226425 /nfs/dbraw/zinc/22/64/25/1440226425.db2.gz IIDCIHGAFXGWMC-IAGOWNOFSA-N 1 2 348.516 3.240 20 30 EGEDLO CC(C)CC1(C(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2F)CCC1 ZINC001753054170 1440280600 /nfs/dbraw/zinc/28/06/00/1440280600.db2.gz CZWZRRDMVAMZKM-UHFFFAOYSA-N 1 2 345.462 3.462 20 30 EGEDLO CC(C)CC1(C(=O)NCC[N@@H+](C)Cc2ccc(C#N)cc2F)CCC1 ZINC001753054170 1440280601 /nfs/dbraw/zinc/28/06/01/1440280601.db2.gz CZWZRRDMVAMZKM-UHFFFAOYSA-N 1 2 345.462 3.462 20 30 EGEDLO C=CC(C)(C)C(=O)NCC[N@@H+](C)CC(=O)Nc1cccc(C(C)C)c1 ZINC001753059443 1440282875 /nfs/dbraw/zinc/28/28/75/1440282875.db2.gz INPAHMQXTHIUQX-UHFFFAOYSA-N 1 2 345.487 3.009 20 30 EGEDLO C=CC(C)(C)C(=O)NCC[N@H+](C)CC(=O)Nc1cccc(C(C)C)c1 ZINC001753059443 1440282876 /nfs/dbraw/zinc/28/28/76/1440282876.db2.gz INPAHMQXTHIUQX-UHFFFAOYSA-N 1 2 345.487 3.009 20 30 EGEDLO C=CCC1(C(=O)NCC[N@@H+](C)Cc2cc(O)ccc2Cl)CCC1 ZINC001753063421 1440284595 /nfs/dbraw/zinc/28/45/95/1440284595.db2.gz ROMLVFXNQVSKRQ-UHFFFAOYSA-N 1 2 336.863 3.340 20 30 EGEDLO C=CCC1(C(=O)NCC[N@H+](C)Cc2cc(O)ccc2Cl)CCC1 ZINC001753063421 1440284596 /nfs/dbraw/zinc/28/45/96/1440284596.db2.gz ROMLVFXNQVSKRQ-UHFFFAOYSA-N 1 2 336.863 3.340 20 30 EGEDLO CC[N@H+](CCNC(=O)C(C)(C)C(C)C)Cc1cc(F)ccc1C#N ZINC001753082147 1440294418 /nfs/dbraw/zinc/29/44/18/1440294418.db2.gz DJMHVAAYWQZEIT-UHFFFAOYSA-N 1 2 333.451 3.318 20 30 EGEDLO CC[N@@H+](CCNC(=O)C(C)(C)C(C)C)Cc1cc(F)ccc1C#N ZINC001753082147 1440294419 /nfs/dbraw/zinc/29/44/19/1440294419.db2.gz DJMHVAAYWQZEIT-UHFFFAOYSA-N 1 2 333.451 3.318 20 30 EGEDLO C=CCCC(=O)NC[C@H]1CCC[N@H+]1Cc1nc(C(C)(C)C)cs1 ZINC001753097894 1440303014 /nfs/dbraw/zinc/30/30/14/1440303014.db2.gz RUHSGFJHWXTFFH-CQSZACIVSA-N 1 2 335.517 3.487 20 30 EGEDLO C=CCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1nc(C(C)(C)C)cs1 ZINC001753097894 1440303015 /nfs/dbraw/zinc/30/30/15/1440303015.db2.gz RUHSGFJHWXTFFH-CQSZACIVSA-N 1 2 335.517 3.487 20 30 EGEDLO C=CCCO[C@H](C)C(=O)NC1C[NH+](Cc2ccc3ccccc3c2)C1 ZINC001753372096 1440387018 /nfs/dbraw/zinc/38/70/18/1440387018.db2.gz FPZMMIGITCAQPT-MRXNPFEDSA-N 1 2 338.451 3.121 20 30 EGEDLO C#CCCCC(=O)NCC1C[NH+](Cc2ccc(Cl)cc2Cl)C1 ZINC001753400645 1440391012 /nfs/dbraw/zinc/39/10/12/1440391012.db2.gz FFUWPGRMWCQFBB-UHFFFAOYSA-N 1 2 339.266 3.345 20 30 EGEDLO C[C@@H]1CCC[C@@H]1CC(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001753403064 1440391415 /nfs/dbraw/zinc/39/14/15/1440391415.db2.gz LKOPDBORKDNZIJ-RHSMWYFYSA-N 1 2 343.446 3.072 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)CC(C)=C(C)C)C1 ZINC001753443373 1440402589 /nfs/dbraw/zinc/40/25/89/1440402589.db2.gz VBBANPIQOJJXSL-CQSZACIVSA-N 1 2 329.282 3.174 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)CC(C)=C(C)C)C1 ZINC001753443373 1440402590 /nfs/dbraw/zinc/40/25/90/1440402590.db2.gz VBBANPIQOJJXSL-CQSZACIVSA-N 1 2 329.282 3.174 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CCc2ccc(F)cc2F)C1 ZINC001753446246 1440404024 /nfs/dbraw/zinc/40/40/24/1440404024.db2.gz GTTMKLSEGPPCAM-HNNXBMFYSA-N 1 2 342.817 3.183 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CCc2ccc(F)cc2F)C1 ZINC001753446246 1440404025 /nfs/dbraw/zinc/40/40/25/1440404025.db2.gz GTTMKLSEGPPCAM-HNNXBMFYSA-N 1 2 342.817 3.183 20 30 EGEDLO CCN(C(=O)[C@H](C)C(C)C)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001753458588 1440409353 /nfs/dbraw/zinc/40/93/53/1440409353.db2.gz JAPTZXWOQRJTJN-BEFAXECRSA-N 1 2 345.462 3.412 20 30 EGEDLO CCN(C(=O)[C@H](C)C(C)C)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001753458588 1440409354 /nfs/dbraw/zinc/40/93/54/1440409354.db2.gz JAPTZXWOQRJTJN-BEFAXECRSA-N 1 2 345.462 3.412 20 30 EGEDLO CC#CCCCC(=O)N(CC)[C@@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001753460297 1440410149 /nfs/dbraw/zinc/41/01/49/1440410149.db2.gz VIGSDUXLVZQKRX-MRXNPFEDSA-N 1 2 333.501 3.068 20 30 EGEDLO CC#CCCCC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001753460297 1440410150 /nfs/dbraw/zinc/41/01/50/1440410150.db2.gz VIGSDUXLVZQKRX-MRXNPFEDSA-N 1 2 333.501 3.068 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H](CC[NH2+]Cc2noc(C(C)C)n2)C1 ZINC001753552246 1440435224 /nfs/dbraw/zinc/43/52/24/1440435224.db2.gz VSFHKSHBKGXIOK-HNNXBMFYSA-N 1 2 348.491 3.124 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H](C[NH2+][C@@H](C)c1noc(C)n1)C1CCCCC1 ZINC001753747659 1440481443 /nfs/dbraw/zinc/48/14/43/1440481443.db2.gz WBWRIZIJHRAZTH-XJKSGUPXSA-N 1 2 348.491 3.306 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1noc(C(C)C)n1 ZINC001753776811 1440486599 /nfs/dbraw/zinc/48/65/99/1440486599.db2.gz KGEFTMIZFMGHBE-MRXNPFEDSA-N 1 2 348.491 3.410 20 30 EGEDLO C=CC(C)(C)CC(=O)N(C)CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1 ZINC001753854125 1440508231 /nfs/dbraw/zinc/50/82/31/1440508231.db2.gz XYELSLORTPPPSW-INIZCTEOSA-N 1 2 345.487 3.006 20 30 EGEDLO C=CC(C)(C)CC(=O)N(C)CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1 ZINC001753854125 1440508232 /nfs/dbraw/zinc/50/82/32/1440508232.db2.gz XYELSLORTPPPSW-INIZCTEOSA-N 1 2 345.487 3.006 20 30 EGEDLO C=CC1(CC(=O)N[C@H](C)C[NH2+][C@@H](C)c2nc(CC)no2)CCCCC1 ZINC001754245026 1440556489 /nfs/dbraw/zinc/55/64/89/1440556489.db2.gz MSJWDSRWYHBMCJ-CABCVRRESA-N 1 2 348.491 3.314 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CC[N@H+]1Cc1cc(OC)ccc1Cl ZINC001754485145 1440608275 /nfs/dbraw/zinc/60/82/75/1440608275.db2.gz PMOUNMXGSPXISK-HNNXBMFYSA-N 1 2 336.863 3.395 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CC[N@@H+]1Cc1cc(OC)ccc1Cl ZINC001754485145 1440608276 /nfs/dbraw/zinc/60/82/76/1440608276.db2.gz PMOUNMXGSPXISK-HNNXBMFYSA-N 1 2 336.863 3.395 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H]2CC[N@@H+]2[C@H]2CCc3c2cc(F)cc3F)C1 ZINC001754494118 1440611208 /nfs/dbraw/zinc/61/12/08/1440611208.db2.gz LNELQCUGTWIZJS-KDOFPFPSSA-N 1 2 346.421 3.499 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H]2CC[N@H+]2[C@H]2CCc3c2cc(F)cc3F)C1 ZINC001754494118 1440611209 /nfs/dbraw/zinc/61/12/09/1440611209.db2.gz LNELQCUGTWIZJS-KDOFPFPSSA-N 1 2 346.421 3.499 20 30 EGEDLO C=CC1(CC(=O)NC[C@H]2CC[N@H+]2[C@H](C)c2cnccn2)CCCCC1 ZINC001754497196 1440612732 /nfs/dbraw/zinc/61/27/32/1440612732.db2.gz KQGSAODAQTZGHY-IAGOWNOFSA-N 1 2 342.487 3.255 20 30 EGEDLO C=CC1(CC(=O)NC[C@H]2CC[N@@H+]2[C@H](C)c2cnccn2)CCCCC1 ZINC001754497196 1440612733 /nfs/dbraw/zinc/61/27/33/1440612733.db2.gz KQGSAODAQTZGHY-IAGOWNOFSA-N 1 2 342.487 3.255 20 30 EGEDLO C=C[C@@H](CC(=O)NCC1([NH2+]Cc2coc(C)n2)CC1)c1ccccc1 ZINC001754534059 1440623540 /nfs/dbraw/zinc/62/35/40/1440623540.db2.gz CVDPRROVCHTIKL-INIZCTEOSA-N 1 2 339.439 3.081 20 30 EGEDLO N#CC[N@H+](CC1CC1)C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC001754549026 1440629112 /nfs/dbraw/zinc/62/91/12/1440629112.db2.gz OOMCAGWWWBVDCA-UHFFFAOYSA-N 1 2 345.874 3.109 20 30 EGEDLO N#CC[N@@H+](CC1CC1)C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC001754549026 1440629113 /nfs/dbraw/zinc/62/91/13/1440629113.db2.gz OOMCAGWWWBVDCA-UHFFFAOYSA-N 1 2 345.874 3.109 20 30 EGEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2ccc(C3=CCCC3)cc2)C1 ZINC001754589884 1440640614 /nfs/dbraw/zinc/64/06/14/1440640614.db2.gz JYGWCKBHBCGHLH-UHFFFAOYSA-N 1 2 340.467 3.213 20 30 EGEDLO C=CCCCC(=O)NCC1(C)CC[NH+]([C@@H](C)c2noc(C)n2)CC1 ZINC001754719187 1440672582 /nfs/dbraw/zinc/67/25/82/1440672582.db2.gz YCJXLNXCOMZKSU-AWEZNQCLSA-N 1 2 334.464 3.014 20 30 EGEDLO C=CCCC[NH+]1CCC(C)(CNC(=O)CC(F)(F)C(F)F)CC1 ZINC001754720256 1440672935 /nfs/dbraw/zinc/67/29/35/1440672935.db2.gz JMHVBXNQJUTKAD-UHFFFAOYSA-N 1 2 338.389 3.461 20 30 EGEDLO C=C(C)CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC23CC(OCC)C3)CC1 ZINC001754720410 1440673026 /nfs/dbraw/zinc/67/30/26/1440673026.db2.gz OKVRWVWIWZNDDV-WBTXTPOCSA-N 1 2 348.531 3.376 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@H]21 ZINC001754872964 1440705705 /nfs/dbraw/zinc/70/57/05/1440705705.db2.gz QRFZFCSBQAZJKP-CDSAOTDBSA-N 1 2 343.298 3.422 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@H]21 ZINC001754872964 1440705706 /nfs/dbraw/zinc/70/57/06/1440705706.db2.gz QRFZFCSBQAZJKP-CDSAOTDBSA-N 1 2 343.298 3.422 20 30 EGEDLO C=C(Cl)C[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc(C)n1C ZINC001754943822 1440712326 /nfs/dbraw/zinc/71/23/26/1440712326.db2.gz ONXCIGNMHPAQPF-UHFFFAOYSA-N 1 2 345.874 3.448 20 30 EGEDLO C=C(Cl)C[N@H+](C)Cc1ccccc1CNC(=O)c1ccc(C)n1C ZINC001754943822 1440712327 /nfs/dbraw/zinc/71/23/27/1440712327.db2.gz ONXCIGNMHPAQPF-UHFFFAOYSA-N 1 2 345.874 3.448 20 30 EGEDLO C=CCCC(=O)NCc1ccc([C@@H](C)[NH2+]Cc2ncc(C)o2)cc1 ZINC001754953294 1440715630 /nfs/dbraw/zinc/71/56/30/1440715630.db2.gz IOTZIKBDTLBFDG-OAHLLOKOSA-N 1 2 327.428 3.416 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCC1([NH2+]Cc2nc(C3CCC3)no2)CCC1 ZINC001754986234 1440722811 /nfs/dbraw/zinc/72/28/11/1440722811.db2.gz XNJKVYOWSZOGDL-SFHVURJKSA-N 1 2 346.475 3.068 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2csnn2)CC1 ZINC001755028896 1440730444 /nfs/dbraw/zinc/73/04/44/1440730444.db2.gz JLKLTECWRFBTEO-KGLIPLIRSA-N 1 2 336.505 3.172 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@H+]([C@H](C)c2csnn2)CC1 ZINC001755028896 1440730445 /nfs/dbraw/zinc/73/04/45/1440730445.db2.gz JLKLTECWRFBTEO-KGLIPLIRSA-N 1 2 336.505 3.172 20 30 EGEDLO C=CCCCC(=O)N1CCOC2(C[NH+](Cc3ccccc3CC)C2)C1 ZINC001755050077 1440742714 /nfs/dbraw/zinc/74/27/14/1440742714.db2.gz CPGTZLWCJAMPGT-UHFFFAOYSA-N 1 2 342.483 3.019 20 30 EGEDLO C=CC1(CC(=O)N[C@@H]2COC3(C[NH+](CC(=C)C)C3)C2)CCCCC1 ZINC001755063422 1440744485 /nfs/dbraw/zinc/74/44/85/1440744485.db2.gz KMCMJIPBOORAEG-KRWDZBQOSA-N 1 2 332.488 3.049 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@@]2(CC[N@@H+]([C@@H](C)c3csnn3)C2)C1 ZINC001755078006 1440749631 /nfs/dbraw/zinc/74/96/31/1440749631.db2.gz GYCXZCFSOYJOAS-YJBOKZPZSA-N 1 2 348.516 3.270 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@@]2(CC[N@H+]([C@@H](C)c3csnn3)C2)C1 ZINC001755078006 1440749632 /nfs/dbraw/zinc/74/96/32/1440749632.db2.gz GYCXZCFSOYJOAS-YJBOKZPZSA-N 1 2 348.516 3.270 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)CC1CCC1 ZINC001755189979 1440774412 /nfs/dbraw/zinc/77/44/12/1440774412.db2.gz UYXIHJPVBIXILR-CQSZACIVSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)CC1CCC1 ZINC001755189979 1440774413 /nfs/dbraw/zinc/77/44/13/1440774413.db2.gz UYXIHJPVBIXILR-CQSZACIVSA-N 1 2 329.282 3.008 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1coc(C)n1 ZINC001755192310 1440775281 /nfs/dbraw/zinc/77/52/81/1440775281.db2.gz CREIHTWBMOBPSI-GOSISDBHSA-N 1 2 331.460 3.174 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1coc(C)n1 ZINC001755192310 1440775282 /nfs/dbraw/zinc/77/52/82/1440775282.db2.gz CREIHTWBMOBPSI-GOSISDBHSA-N 1 2 331.460 3.174 20 30 EGEDLO C=CCC1(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2nc(C3CCC3)no2)CCC1 ZINC001755253652 1440792739 /nfs/dbraw/zinc/79/27/39/1440792739.db2.gz URFOESSWPRCCDX-KBPBESRZSA-N 1 2 346.475 3.066 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H](C)[N@H+](C)Cc1nc(C)c2ccccc2n1 ZINC001755310852 1440813387 /nfs/dbraw/zinc/81/33/87/1440813387.db2.gz DTOVRMVCYNPNNN-CQSZACIVSA-N 1 2 340.471 3.087 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1nc(C)c2ccccc2n1 ZINC001755310852 1440813388 /nfs/dbraw/zinc/81/33/88/1440813388.db2.gz DTOVRMVCYNPNNN-CQSZACIVSA-N 1 2 340.471 3.087 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccn(C(C)C)n2)CCC1 ZINC001755315560 1440815568 /nfs/dbraw/zinc/81/55/68/1440815568.db2.gz SAKGPPDBCJESTC-MRXNPFEDSA-N 1 2 332.492 3.147 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccn(C(C)C)n2)CCC1 ZINC001755315560 1440815569 /nfs/dbraw/zinc/81/55/69/1440815569.db2.gz SAKGPPDBCJESTC-MRXNPFEDSA-N 1 2 332.492 3.147 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nnc(CC)o2)CC1(C)C ZINC001755408715 1440845310 /nfs/dbraw/zinc/84/53/10/1440845310.db2.gz UNDHGXQGQGCHSQ-ZIAGYGMSSA-N 1 2 348.491 3.122 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nnc(CC)o2)CC1(C)C ZINC001755408715 1440845311 /nfs/dbraw/zinc/84/53/11/1440845311.db2.gz UNDHGXQGQGCHSQ-ZIAGYGMSSA-N 1 2 348.491 3.122 20 30 EGEDLO C=CCC[C@@H](C)[NH2+]C[C@@H](NC(=O)c1ccc2nc[nH]c2n1)C(C)(C)C ZINC001755826787 1440927505 /nfs/dbraw/zinc/92/75/05/1440927505.db2.gz XURYGWUXUOQOBX-CZUORRHYSA-N 1 2 343.475 3.047 20 30 EGEDLO C=CCC[C@@H](C)[NH2+]C[C@H](NC(=O)c1cc2cccn2cn1)C(C)(C)C ZINC001755826713 1440927554 /nfs/dbraw/zinc/92/75/54/1440927554.db2.gz WYIMQCAQGQKQEP-QAPCUYQASA-N 1 2 342.487 3.423 20 30 EGEDLO C=CCCC(=O)N[C@H](C)C1CC[NH+](Cc2nnc(C(C)(C)C)o2)CC1 ZINC001755842428 1440932121 /nfs/dbraw/zinc/93/21/21/1440932121.db2.gz SDMRKQANUPVFFZ-CQSZACIVSA-N 1 2 348.491 3.050 20 30 EGEDLO N#Cc1ccc(N2CCC[C@@H](Nc3cc[nH+]c(C4CC4)n3)C2)c(F)c1 ZINC000110589992 220046304 /nfs/dbraw/zinc/04/63/04/220046304.db2.gz GUTHFUJPKRBXJF-OAHLLOKOSA-N 1 2 337.402 3.446 20 30 EGEDLO C[C@H](c1cccc(NC(=O)c2cccc(C#N)c2)c1)[NH+]1CCOCC1 ZINC000264227606 246212619 /nfs/dbraw/zinc/21/26/19/246212619.db2.gz LQVYXFVNKWKBGQ-OAHLLOKOSA-N 1 2 335.407 3.204 20 30 EGEDLO C=CCSCCNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000264253957 246246475 /nfs/dbraw/zinc/24/64/75/246246475.db2.gz PUCNLMGACJEULC-OAHLLOKOSA-N 1 2 349.500 3.121 20 30 EGEDLO Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)s1 ZINC000265462571 247525663 /nfs/dbraw/zinc/52/56/63/247525663.db2.gz HAYLLAMAABZQGG-HNNXBMFYSA-N 1 2 339.464 3.447 20 30 EGEDLO N#Cc1ccc(OCCN2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000096781155 218890618 /nfs/dbraw/zinc/89/06/18/218890618.db2.gz CZEXNGFYJWKHLM-DAXSKMNVSA-N 1 2 347.462 3.268 20 30 EGEDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)Cc2ccccc21 ZINC000352948904 141275443 /nfs/dbraw/zinc/27/54/43/141275443.db2.gz VFXFXDYBVNEIGI-GOSISDBHSA-N 1 2 338.382 3.360 20 30 EGEDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)Cc2ccccc21 ZINC000352948904 141275444 /nfs/dbraw/zinc/27/54/44/141275444.db2.gz VFXFXDYBVNEIGI-GOSISDBHSA-N 1 2 338.382 3.360 20 30 EGEDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000172192629 144017666 /nfs/dbraw/zinc/01/76/66/144017666.db2.gz CZPNNHNBMKAXHD-LJQANCHMSA-N 1 2 349.434 3.478 20 30 EGEDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000172192629 144017667 /nfs/dbraw/zinc/01/76/67/144017667.db2.gz CZPNNHNBMKAXHD-LJQANCHMSA-N 1 2 349.434 3.478 20 30 EGEDLO CS(=O)(=O)C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccccc1 ZINC000187442856 144159075 /nfs/dbraw/zinc/15/90/75/144159075.db2.gz PFWSWDHLQFYXLQ-QGZVFWFLSA-N 1 2 348.855 3.087 20 30 EGEDLO C[C@@H]1CC[C@@H](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000345512806 144247384 /nfs/dbraw/zinc/24/73/84/144247384.db2.gz VGZAZXQJLBRRNI-VQIMIIECSA-N 1 2 325.456 3.029 20 30 EGEDLO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1ccccc1C#N ZINC000338316206 163209351 /nfs/dbraw/zinc/20/93/51/163209351.db2.gz JUKRKGZCDZVQIY-UHFFFAOYSA-N 1 2 327.453 3.067 20 30 EGEDLO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1ccccc1C#N ZINC000338316206 163209352 /nfs/dbraw/zinc/20/93/52/163209352.db2.gz JUKRKGZCDZVQIY-UHFFFAOYSA-N 1 2 327.453 3.067 20 30 EGEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ccn(-c2ccccc2)n1 ZINC000344125765 164109300 /nfs/dbraw/zinc/10/93/00/164109300.db2.gz WZZJXXZXTFRCAI-UHFFFAOYSA-N 1 2 346.434 3.393 20 30 EGEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccn(-c2ccccc2)n1 ZINC000344125765 164109303 /nfs/dbraw/zinc/10/93/03/164109303.db2.gz WZZJXXZXTFRCAI-UHFFFAOYSA-N 1 2 346.434 3.393 20 30 EGEDLO Cc1ccnc(OC2CC[NH+](Cc3ccc(F)cc3C#N)CC2)c1 ZINC000360208707 167272360 /nfs/dbraw/zinc/27/23/60/167272360.db2.gz LXOAMGLRBJTIRW-UHFFFAOYSA-N 1 2 325.387 3.444 20 30 EGEDLO CCOC(=O)CC[N@H+](Cc1cccnc1)Cc1cccc(C#N)c1F ZINC000360485367 167339195 /nfs/dbraw/zinc/33/91/95/167339195.db2.gz CAHIBNAOHUHULD-UHFFFAOYSA-N 1 2 341.386 3.048 20 30 EGEDLO CCOC(=O)CC[N@@H+](Cc1cccnc1)Cc1cccc(C#N)c1F ZINC000360485367 167339199 /nfs/dbraw/zinc/33/91/99/167339199.db2.gz CAHIBNAOHUHULD-UHFFFAOYSA-N 1 2 341.386 3.048 20 30 EGEDLO COc1ccccc1-c1nnc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)o1 ZINC000367679551 168258292 /nfs/dbraw/zinc/25/82/92/168258292.db2.gz UROUQXMXWCBACZ-ZDUSSCGKSA-N 1 2 334.379 3.468 20 30 EGEDLO C/C(Cl)=C\C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000528402704 270060001 /nfs/dbraw/zinc/06/00/01/270060001.db2.gz BJRVWLUJHRJHOF-UUILKARUSA-N 1 2 332.791 3.071 20 30 EGEDLO CCOC(=O)Nc1ccc(NC(=O)c2ccc3[nH+]ccn3c2)cc1C#N ZINC000179275239 266267548 /nfs/dbraw/zinc/26/75/48/266267548.db2.gz HNZZUPVEULTOLA-UHFFFAOYSA-N 1 2 349.350 3.027 20 30 EGEDLO N#Cc1ccncc1N1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000269925671 266382981 /nfs/dbraw/zinc/38/29/81/266382981.db2.gz BPOHZOFFGUJJTP-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000273255717 267006994 /nfs/dbraw/zinc/00/69/94/267006994.db2.gz DTIGLHOTTAEWMR-CQSZACIVSA-N 1 2 325.437 3.139 20 30 EGEDLO CCC[N@H+](Cc1ccc(S(C)(=O)=O)s1)Cc1ccc(C#N)cc1 ZINC000414369859 267015751 /nfs/dbraw/zinc/01/57/51/267015751.db2.gz JXOXLQBVWYKWNI-UHFFFAOYSA-N 1 2 348.493 3.435 20 30 EGEDLO CCC[N@@H+](Cc1ccc(S(C)(=O)=O)s1)Cc1ccc(C#N)cc1 ZINC000414369859 267015756 /nfs/dbraw/zinc/01/57/56/267015756.db2.gz JXOXLQBVWYKWNI-UHFFFAOYSA-N 1 2 348.493 3.435 20 30 EGEDLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1Cc1ccc(C#N)cc1OC ZINC000444780489 267039247 /nfs/dbraw/zinc/03/92/47/267039247.db2.gz FKYZOCZZXSLXBS-LJQANCHMSA-N 1 2 330.428 3.265 20 30 EGEDLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1Cc1ccc(C#N)cc1OC ZINC000444780489 267039250 /nfs/dbraw/zinc/03/92/50/267039250.db2.gz FKYZOCZZXSLXBS-LJQANCHMSA-N 1 2 330.428 3.265 20 30 EGEDLO CCCc1c(NC(=O)C=Cc2c[nH]c[nH+]2)cnn1-c1cccc(C#N)c1 ZINC000492904843 267040856 /nfs/dbraw/zinc/04/08/56/267040856.db2.gz XXFQBQZMFLQAFA-FPLPWBNLSA-N 1 2 346.394 3.071 20 30 EGEDLO C[C@@H]1COCC[N@@H+]1CCSc1ccc(C#N)c(C(F)(F)F)c1 ZINC000188329136 267067868 /nfs/dbraw/zinc/06/78/68/267067868.db2.gz DBSVVFQLFUXNKD-LLVKDONJSA-N 1 2 330.375 3.390 20 30 EGEDLO C[C@@H]1COCC[N@H+]1CCSc1ccc(C#N)c(C(F)(F)F)c1 ZINC000188329136 267067870 /nfs/dbraw/zinc/06/78/70/267067870.db2.gz DBSVVFQLFUXNKD-LLVKDONJSA-N 1 2 330.375 3.390 20 30 EGEDLO CCOC(=O)N(C)C1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000496675079 267121179 /nfs/dbraw/zinc/12/11/79/267121179.db2.gz ZJUADVYZLDIIBG-UHFFFAOYSA-N 1 2 335.835 3.264 20 30 EGEDLO CCOc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)Nc1cccc(C#N)c1)C2 ZINC000441075761 267171471 /nfs/dbraw/zinc/17/14/71/267171471.db2.gz PSTNQFYMVVHYNO-OAHLLOKOSA-N 1 2 349.434 3.342 20 30 EGEDLO CCOc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)Nc1cccc(C#N)c1)C2 ZINC000441075761 267171477 /nfs/dbraw/zinc/17/14/77/267171477.db2.gz PSTNQFYMVVHYNO-OAHLLOKOSA-N 1 2 349.434 3.342 20 30 EGEDLO C[C@H](c1c(F)cccc1F)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000299049134 267206991 /nfs/dbraw/zinc/20/69/91/267206991.db2.gz LCPVBDSZPUGMMV-CYBMUJFWSA-N 1 2 328.366 3.115 20 30 EGEDLO CCn1cc[nH+]c1/C=C/C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000492296159 267256313 /nfs/dbraw/zinc/25/63/13/267256313.db2.gz NYOVZQWFAYRYPH-BQYQJAHWSA-N 1 2 332.407 3.104 20 30 EGEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cccc(C#N)c1Br ZINC000456343019 267258973 /nfs/dbraw/zinc/25/89/73/267258973.db2.gz GIIMMIHALRLEIT-JTQLQIEISA-N 1 2 347.216 3.028 20 30 EGEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1cc(C)c(N(C)C)cc1C#N ZINC000417130756 267259380 /nfs/dbraw/zinc/25/93/80/267259380.db2.gz CBZPESZAIUMYOT-ZDUSSCGKSA-N 1 2 340.431 3.032 20 30 EGEDLO CC1(C)CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000274631089 267265113 /nfs/dbraw/zinc/26/51/13/267265113.db2.gz WBWBPBNQEDQIIC-SFHVURJKSA-N 1 2 325.456 3.029 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000274744068 267279685 /nfs/dbraw/zinc/27/96/85/267279685.db2.gz FVIGRXHQSGORRP-UHFFFAOYSA-N 1 2 339.826 3.475 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000274744068 267279688 /nfs/dbraw/zinc/27/96/88/267279688.db2.gz FVIGRXHQSGORRP-UHFFFAOYSA-N 1 2 339.826 3.475 20 30 EGEDLO Cc1c(C#N)cccc1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000178576995 267286200 /nfs/dbraw/zinc/28/62/00/267286200.db2.gz FFOAMNHIGFOLEJ-UHFFFAOYSA-N 1 2 335.411 3.184 20 30 EGEDLO CN(C)c1cc(C#N)cc(C(=O)Nc2ccccc2-n2cc[nH+]c2)c1 ZINC000432497344 267293022 /nfs/dbraw/zinc/29/30/22/267293022.db2.gz ZIZFJVURAYSDKF-UHFFFAOYSA-N 1 2 331.379 3.062 20 30 EGEDLO C[N@H+](Cc1ccc(F)c(Cl)c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000433265465 267317162 /nfs/dbraw/zinc/31/71/62/267317162.db2.gz KMDBJXXHVHGKNY-MRXNPFEDSA-N 1 2 331.778 3.009 20 30 EGEDLO C[N@@H+](Cc1ccc(F)c(Cl)c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000433265465 267317164 /nfs/dbraw/zinc/31/71/64/267317164.db2.gz KMDBJXXHVHGKNY-MRXNPFEDSA-N 1 2 331.778 3.009 20 30 EGEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)c1cc(C#N)oc1C ZINC000281307287 267643627 /nfs/dbraw/zinc/64/36/27/267643627.db2.gz NYXHZJCLKSDIEG-OAHLLOKOSA-N 1 2 348.406 3.423 20 30 EGEDLO Cc1noc(C[C@@H]([NH2+]Cc2ccc(F)cc2C#N)c2ccccc2)n1 ZINC000429538847 268098985 /nfs/dbraw/zinc/09/89/85/268098985.db2.gz UGIQWTRAJTUOHF-GOSISDBHSA-N 1 2 336.370 3.462 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]2Cc2ccccc2)c(C#N)c1C ZINC000437832287 268104469 /nfs/dbraw/zinc/10/44/69/268104469.db2.gz FNWKAGXGTRZTDE-WMLDXEAASA-N 1 2 337.423 3.412 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]2Cc2ccccc2)c(C#N)c1C ZINC000437832287 268104471 /nfs/dbraw/zinc/10/44/71/268104471.db2.gz FNWKAGXGTRZTDE-WMLDXEAASA-N 1 2 337.423 3.412 20 30 EGEDLO N#Cc1cccc(C2([NH2+]Cc3nc(Cc4ccccc4)no3)CC2)c1 ZINC000271834784 268241687 /nfs/dbraw/zinc/24/16/87/268241687.db2.gz VCYQTNGTPFPZQY-UHFFFAOYSA-N 1 2 330.391 3.311 20 30 EGEDLO N#Cc1cnc(Nc2ccc([NH2+]C3CCOCC3)cc2)c([N+](=O)[O-])c1 ZINC000450306214 268313843 /nfs/dbraw/zinc/31/38/43/268313843.db2.gz YSYBQQYPIYCOMZ-UHFFFAOYSA-N 1 2 339.355 3.196 20 30 EGEDLO N#Cc1nccnc1N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000301265379 268332653 /nfs/dbraw/zinc/33/26/53/268332653.db2.gz PLRZFTRDBZVAIM-AWEZNQCLSA-N 1 2 345.809 3.217 20 30 EGEDLO N#Cc1nccnc1N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000301265379 268332655 /nfs/dbraw/zinc/33/26/55/268332655.db2.gz PLRZFTRDBZVAIM-AWEZNQCLSA-N 1 2 345.809 3.217 20 30 EGEDLO C=CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(Cl)s1 ZINC000008164423 453171487 /nfs/dbraw/zinc/17/14/87/453171487.db2.gz LUFQFHJANWEYTD-MRXNPFEDSA-N 1 2 337.876 3.198 20 30 EGEDLO C[C@H](c1cc(F)ccc1F)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060479983 307351133 /nfs/dbraw/zinc/35/11/33/307351133.db2.gz NJWUUBAHGQCHNM-CYBMUJFWSA-N 1 2 328.366 3.115 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)c2[nH+]ccn21 ZINC000557108065 315495830 /nfs/dbraw/zinc/49/58/30/315495830.db2.gz QIENUAUHENUWIH-JLZZUVOBSA-N 1 2 335.411 3.137 20 30 EGEDLO Cc1nsc(N2CC[NH+](Cc3cnc(C(C)C)s3)CC2)c1C#N ZINC000557550485 315518028 /nfs/dbraw/zinc/51/80/28/315518028.db2.gz HDHCSMOBIQFOSJ-UHFFFAOYSA-N 1 2 347.513 3.225 20 30 EGEDLO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1nc(COc3ccccc3)n[nH]1)CC2 ZINC000571573447 317218004 /nfs/dbraw/zinc/21/80/04/317218004.db2.gz SGBLHJAXBPKVCL-GOSISDBHSA-N 1 2 345.406 3.032 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2Br)C[C@H](C2CC2)O1 ZINC000348205136 456536706 /nfs/dbraw/zinc/53/67/06/456536706.db2.gz IXWZYPMIJTVKKU-BDJLRTHQSA-N 1 2 335.245 3.320 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)C[C@H](C2CC2)O1 ZINC000348205136 456536715 /nfs/dbraw/zinc/53/67/15/456536715.db2.gz IXWZYPMIJTVKKU-BDJLRTHQSA-N 1 2 335.245 3.320 20 30 EGEDLO COC(=O)c1cccc(C[NH2+][C@H](C)c2nc3c(s2)CCC3)c1C#N ZINC000576718371 324670383 /nfs/dbraw/zinc/67/03/83/324670383.db2.gz PWCTVHJWCAGCGV-LLVKDONJSA-N 1 2 341.436 3.141 20 30 EGEDLO N#Cc1ccc(-c2nnc(COc3ccccc3-n3cc[nH+]c3)o2)cc1 ZINC000579068277 325055769 /nfs/dbraw/zinc/05/57/69/325055769.db2.gz UEGYVPBHDFSGRK-UHFFFAOYSA-N 1 2 343.346 3.373 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)c1C#N ZINC000580970315 325316183 /nfs/dbraw/zinc/31/61/83/325316183.db2.gz NKMAUICUHKEDEP-IFXJQAMLSA-N 1 2 335.407 3.323 20 30 EGEDLO COC(=O)c1cccc(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)c1C#N ZINC000580970315 325316185 /nfs/dbraw/zinc/31/61/85/325316185.db2.gz NKMAUICUHKEDEP-IFXJQAMLSA-N 1 2 335.407 3.323 20 30 EGEDLO CCN(C(=O)C[N@@H+]1CCC[C@@](C)(C#N)C1)[C@H](C)c1ccc(F)cc1 ZINC000612162132 460555699 /nfs/dbraw/zinc/55/56/99/460555699.db2.gz KXTSYYUHMOFSGO-BEFAXECRSA-N 1 2 331.435 3.361 20 30 EGEDLO CCN(C(=O)C[N@H+]1CCC[C@@](C)(C#N)C1)[C@H](C)c1ccc(F)cc1 ZINC000612162132 460555704 /nfs/dbraw/zinc/55/57/04/460555704.db2.gz KXTSYYUHMOFSGO-BEFAXECRSA-N 1 2 331.435 3.361 20 30 EGEDLO C[C@]1(C#N)CCC[N@H+](C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000612167527 460558766 /nfs/dbraw/zinc/55/87/66/460558766.db2.gz NXDYQGNXBGJSSX-CZUORRHYSA-N 1 2 342.361 3.071 20 30 EGEDLO C[C@]1(C#N)CCC[N@@H+](C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000612167527 460558772 /nfs/dbraw/zinc/55/87/72/460558772.db2.gz NXDYQGNXBGJSSX-CZUORRHYSA-N 1 2 342.361 3.071 20 30 EGEDLO C=CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(Cl)s1 ZINC000008164423 453171483 /nfs/dbraw/zinc/17/14/83/453171483.db2.gz LUFQFHJANWEYTD-MRXNPFEDSA-N 1 2 337.876 3.198 20 30 EGEDLO COc1ccc2c(c1)[nH+]ccc2OCC(=O)Nc1ccc(C#N)cc1 ZINC000174123671 455361975 /nfs/dbraw/zinc/36/19/75/455361975.db2.gz WUQLQPAOOFAOCI-UHFFFAOYSA-N 1 2 333.347 3.133 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(OC)c(OC)c1)Cc1ccccc1 ZINC000027775401 453820477 /nfs/dbraw/zinc/82/04/77/453820477.db2.gz FAWPBMVQMWCARL-UHFFFAOYSA-N 1 2 340.423 3.331 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccc(OC)c(OC)c1)Cc1ccccc1 ZINC000027775401 453820478 /nfs/dbraw/zinc/82/04/78/453820478.db2.gz FAWPBMVQMWCARL-UHFFFAOYSA-N 1 2 340.423 3.331 20 30 EGEDLO CCOc1ccccc1N1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000029593651 453830001 /nfs/dbraw/zinc/83/00/01/453830001.db2.gz HQCVZEQXHIKHMU-UHFFFAOYSA-N 1 2 339.414 3.418 20 30 EGEDLO N#CCC[C@@H](C#N)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000032514434 453877140 /nfs/dbraw/zinc/87/71/40/453877140.db2.gz HLENHQQPESXTDA-AWEZNQCLSA-N 1 2 336.361 3.271 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000075300361 453877798 /nfs/dbraw/zinc/87/77/98/453877798.db2.gz OVIJAUYRMGEXML-ROUUACIJSA-N 1 2 330.391 3.246 20 30 EGEDLO N#CCC[N@@H+](Cc1cccc(C(=O)NCc2ccco2)c1)CC1CC1 ZINC000081514785 453879742 /nfs/dbraw/zinc/87/97/42/453879742.db2.gz CMNWYRFLSGOEAI-UHFFFAOYSA-N 1 2 337.423 3.335 20 30 EGEDLO N#CCC[N@H+](Cc1cccc(C(=O)NCc2ccco2)c1)CC1CC1 ZINC000081514785 453879746 /nfs/dbraw/zinc/87/97/46/453879746.db2.gz CMNWYRFLSGOEAI-UHFFFAOYSA-N 1 2 337.423 3.335 20 30 EGEDLO CC(C)[C@@H](CNC(=O)C[N@H+](CCC#N)CC1CC1)c1ccccc1 ZINC000081514638 453879851 /nfs/dbraw/zinc/87/98/51/453879851.db2.gz GOJLAQKOSSZZGQ-LJQANCHMSA-N 1 2 327.472 3.168 20 30 EGEDLO CC(C)[C@@H](CNC(=O)C[N@@H+](CCC#N)CC1CC1)c1ccccc1 ZINC000081514638 453879854 /nfs/dbraw/zinc/87/98/54/453879854.db2.gz GOJLAQKOSSZZGQ-LJQANCHMSA-N 1 2 327.472 3.168 20 30 EGEDLO CCN(C(=O)C[N@H+](CCC#N)CC1CC1)[C@H](C)c1ccc(F)cc1 ZINC000081515247 453880663 /nfs/dbraw/zinc/88/06/63/453880663.db2.gz NQHPXGRCTGYKFX-OAHLLOKOSA-N 1 2 331.435 3.361 20 30 EGEDLO CCN(C(=O)C[N@@H+](CCC#N)CC1CC1)[C@H](C)c1ccc(F)cc1 ZINC000081515247 453880665 /nfs/dbraw/zinc/88/06/65/453880665.db2.gz NQHPXGRCTGYKFX-OAHLLOKOSA-N 1 2 331.435 3.361 20 30 EGEDLO CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081515330 453881219 /nfs/dbraw/zinc/88/12/19/453881219.db2.gz VDONZMIGISJOKP-UHFFFAOYSA-N 1 2 337.826 3.063 20 30 EGEDLO CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081515330 453881223 /nfs/dbraw/zinc/88/12/23/453881223.db2.gz VDONZMIGISJOKP-UHFFFAOYSA-N 1 2 337.826 3.063 20 30 EGEDLO C[C@H](c1nnc(SCC#N)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000032875927 453894332 /nfs/dbraw/zinc/89/43/32/453894332.db2.gz MNMZKOBDQJOFEY-CQSZACIVSA-N 1 2 327.457 3.430 20 30 EGEDLO COc1cccc(C[N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)c1 ZINC000075615263 453911203 /nfs/dbraw/zinc/91/12/03/453911203.db2.gz GOPTYZTYITUDMC-UHFFFAOYSA-N 1 2 334.379 3.249 20 30 EGEDLO COc1cccc(C[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)c1 ZINC000075615263 453911204 /nfs/dbraw/zinc/91/12/04/453911204.db2.gz GOPTYZTYITUDMC-UHFFFAOYSA-N 1 2 334.379 3.249 20 30 EGEDLO N#CCc1cccc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000067523719 453939074 /nfs/dbraw/zinc/93/90/74/453939074.db2.gz MSZZUPRKSMQCBT-UHFFFAOYSA-N 1 2 334.354 3.007 20 30 EGEDLO C#CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(-n2cc[nH+]c2)cc1 ZINC000054702135 453943459 /nfs/dbraw/zinc/94/34/59/453943459.db2.gz ZKZGHISKQNLZQN-IBGZPJMESA-N 1 2 328.375 3.072 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000083422661 453948532 /nfs/dbraw/zinc/94/85/32/453948532.db2.gz CFSXUZPLBHQANL-IBGZPJMESA-N 1 2 345.874 3.484 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000083422661 453948534 /nfs/dbraw/zinc/94/85/34/453948534.db2.gz CFSXUZPLBHQANL-IBGZPJMESA-N 1 2 345.874 3.484 20 30 EGEDLO N#Cc1ccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000067680702 453955796 /nfs/dbraw/zinc/95/57/96/453955796.db2.gz ZFQXOMHRJOMSLP-UHFFFAOYSA-N 1 2 332.363 3.086 20 30 EGEDLO N#CCc1ccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000076084339 453960856 /nfs/dbraw/zinc/96/08/56/453960856.db2.gz AEZKFALASDFKNA-UHFFFAOYSA-N 1 2 345.406 3.319 20 30 EGEDLO COc1cccc(/C=[NH+]/CCc2ccc(OC)c(OC)c2OC)c1O ZINC000067952217 453983741 /nfs/dbraw/zinc/98/37/41/453983741.db2.gz CBUDJMVQIGBFIA-UDWIEESQSA-N 1 2 345.395 3.088 20 30 EGEDLO COc1ccc(O)c(/C=[NH+]/CCc2ccc(OC)c(OC)c2OC)c1 ZINC000067952218 453983880 /nfs/dbraw/zinc/98/38/80/453983880.db2.gz IHMXCCOUJAQCIS-UDWIEESQSA-N 1 2 345.395 3.088 20 30 EGEDLO C[C@@H]1C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CC(C)(C)O1 ZINC000068476954 454030040 /nfs/dbraw/zinc/03/00/40/454030040.db2.gz PVKDBDZCJVVLHH-OAHLLOKOSA-N 1 2 339.439 3.237 20 30 EGEDLO C[C@@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CC(C)(C)O1 ZINC000068476954 454030044 /nfs/dbraw/zinc/03/00/44/454030044.db2.gz PVKDBDZCJVVLHH-OAHLLOKOSA-N 1 2 339.439 3.237 20 30 EGEDLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)on1 ZINC000076993608 454058399 /nfs/dbraw/zinc/05/83/99/454058399.db2.gz JBPPQXOOKVFIID-HNNXBMFYSA-N 1 2 344.802 3.284 20 30 EGEDLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)on1 ZINC000076993608 454058400 /nfs/dbraw/zinc/05/84/00/454058400.db2.gz JBPPQXOOKVFIID-HNNXBMFYSA-N 1 2 344.802 3.284 20 30 EGEDLO C[C@H](c1cc(F)ccc1F)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000056494039 454061841 /nfs/dbraw/zinc/06/18/41/454061841.db2.gz ICSZYEBCWMXWGS-CYBMUJFWSA-N 1 2 328.366 3.115 20 30 EGEDLO C=CCOc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000045053111 454135579 /nfs/dbraw/zinc/13/55/79/454135579.db2.gz HRYVKHKVVSDIHZ-UHFFFAOYSA-N 1 2 336.435 3.209 20 30 EGEDLO N#CC1CC[NH+](CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000057907067 454156561 /nfs/dbraw/zinc/15/65/61/454156561.db2.gz IDZVINPRTWGULU-NRFANRHFSA-N 1 2 347.462 3.322 20 30 EGEDLO CC[N@H+](CCCNc1ncc([N+](=O)[O-])cc1C#N)c1ccccc1 ZINC000070793855 454176726 /nfs/dbraw/zinc/17/67/26/454176726.db2.gz NHFYMKKSNFDTNF-UHFFFAOYSA-N 1 2 325.372 3.190 20 30 EGEDLO CC[N@@H+](CCCNc1ncc([N+](=O)[O-])cc1C#N)c1ccccc1 ZINC000070793855 454176730 /nfs/dbraw/zinc/17/67/30/454176730.db2.gz NHFYMKKSNFDTNF-UHFFFAOYSA-N 1 2 325.372 3.190 20 30 EGEDLO COc1ccc(CN2CC[NH+](Cc3ccc(C#N)s3)CC2)cc1F ZINC000119920983 454235573 /nfs/dbraw/zinc/23/55/73/454235573.db2.gz XHBXUEKYBXVYSN-UHFFFAOYSA-N 1 2 345.443 3.085 20 30 EGEDLO C=CCSCCNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000120124596 454261298 /nfs/dbraw/zinc/26/12/98/454261298.db2.gz XNSIFTYKMIITAW-CQSZACIVSA-N 1 2 339.530 3.056 20 30 EGEDLO CCN(CCC#N)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000078492380 454263728 /nfs/dbraw/zinc/26/37/28/454263728.db2.gz DQERKGVMAZSSKB-HZPDHXFCSA-N 1 2 344.459 3.063 20 30 EGEDLO Cc1cccc(NC(=O)NC(=O)C[N@@H+](CCC#N)CCC(C)C)c1C ZINC000072690973 454327971 /nfs/dbraw/zinc/32/79/71/454327971.db2.gz CTYWZRBERXWBKL-UHFFFAOYSA-N 1 2 344.459 3.213 20 30 EGEDLO Cc1cccc(NC(=O)NC(=O)C[N@H+](CCC#N)CCC(C)C)c1C ZINC000072690973 454327978 /nfs/dbraw/zinc/32/79/78/454327978.db2.gz CTYWZRBERXWBKL-UHFFFAOYSA-N 1 2 344.459 3.213 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000072692972 454329234 /nfs/dbraw/zinc/32/92/34/454329234.db2.gz LTRKEEQXTMQIMO-UHFFFAOYSA-N 1 2 346.862 3.500 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000072692972 454329238 /nfs/dbraw/zinc/32/92/38/454329238.db2.gz LTRKEEQXTMQIMO-UHFFFAOYSA-N 1 2 346.862 3.500 20 30 EGEDLO CC(C)CN(C(=O)C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C1CC1 ZINC000072898063 454359772 /nfs/dbraw/zinc/35/97/72/454359772.db2.gz MZDVBGZMQAWQHD-VQTJNVASSA-N 1 2 339.483 3.405 20 30 EGEDLO CC(C)CN(C(=O)C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C1CC1 ZINC000072898063 454359775 /nfs/dbraw/zinc/35/97/75/454359775.db2.gz MZDVBGZMQAWQHD-VQTJNVASSA-N 1 2 339.483 3.405 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1C#N ZINC000091073024 454375968 /nfs/dbraw/zinc/37/59/68/454375968.db2.gz JUWXUHJZYNGFKV-MRXNPFEDSA-N 1 2 346.438 3.155 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1C#N ZINC000091073024 454375972 /nfs/dbraw/zinc/37/59/72/454375972.db2.gz JUWXUHJZYNGFKV-MRXNPFEDSA-N 1 2 346.438 3.155 20 30 EGEDLO COc1cc2c(cc1OC)C[N@H+](Cc1cn3ccccc3c1C#N)CC2 ZINC000073342124 454424275 /nfs/dbraw/zinc/42/42/75/454424275.db2.gz FMTKTAWNOWYLBF-UHFFFAOYSA-N 1 2 347.418 3.386 20 30 EGEDLO COc1cc2c(cc1OC)C[N@@H+](Cc1cn3ccccc3c1C#N)CC2 ZINC000073342124 454424278 /nfs/dbraw/zinc/42/42/78/454424278.db2.gz FMTKTAWNOWYLBF-UHFFFAOYSA-N 1 2 347.418 3.386 20 30 EGEDLO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cscn1 ZINC000063591299 454426605 /nfs/dbraw/zinc/42/66/05/454426605.db2.gz LEYMIHOSMTWYTC-UHFFFAOYSA-N 1 2 346.481 3.026 20 30 EGEDLO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cscn1 ZINC000063591299 454426611 /nfs/dbraw/zinc/42/66/11/454426611.db2.gz LEYMIHOSMTWYTC-UHFFFAOYSA-N 1 2 346.481 3.026 20 30 EGEDLO CCCC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1F ZINC000063755446 454444793 /nfs/dbraw/zinc/44/47/93/454444793.db2.gz DTPHBYGTKBDDNW-IBGZPJMESA-N 1 2 331.435 3.236 20 30 EGEDLO CCCC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1F ZINC000063755446 454444799 /nfs/dbraw/zinc/44/47/99/454444799.db2.gz DTPHBYGTKBDDNW-IBGZPJMESA-N 1 2 331.435 3.236 20 30 EGEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000079594109 454447087 /nfs/dbraw/zinc/44/70/87/454447087.db2.gz ZIVSEHNZNDZSES-AWEZNQCLSA-N 1 2 346.390 3.365 20 30 EGEDLO C=CC[N@@H+](Cc1c(OC)ccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000092361044 454556148 /nfs/dbraw/zinc/55/61/48/454556148.db2.gz OAEQPRCNOUJAGB-MRXNPFEDSA-N 1 2 345.464 3.024 20 30 EGEDLO C=CC[N@H+](Cc1c(OC)ccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000092361044 454556152 /nfs/dbraw/zinc/55/61/52/454556152.db2.gz OAEQPRCNOUJAGB-MRXNPFEDSA-N 1 2 345.464 3.024 20 30 EGEDLO Cc1ccc(C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C2CC2)o1 ZINC000051966786 454643512 /nfs/dbraw/zinc/64/35/12/454643512.db2.gz KRMKYYRJTAVIIE-UHFFFAOYSA-N 1 2 329.444 3.237 20 30 EGEDLO Cc1ccc(C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C2CC2)o1 ZINC000051966786 454643520 /nfs/dbraw/zinc/64/35/20/454643520.db2.gz KRMKYYRJTAVIIE-UHFFFAOYSA-N 1 2 329.444 3.237 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1sccc1C#N)c1cccc(F)c1 ZINC000052029429 454649255 /nfs/dbraw/zinc/64/92/55/454649255.db2.gz GRIFLGFJLMLYOK-CQSZACIVSA-N 1 2 340.383 3.012 20 30 EGEDLO N#Cc1cc([N+](=O)[O-])ccc1NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000052314696 454667474 /nfs/dbraw/zinc/66/74/74/454667474.db2.gz LXWNNACADCMOCF-UHFFFAOYSA-N 1 2 337.383 3.464 20 30 EGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccoc2)cc1 ZINC000052442681 454673363 /nfs/dbraw/zinc/67/33/63/454673363.db2.gz WFOIIINHGVHHCA-UHFFFAOYSA-N 1 2 341.411 3.057 20 30 EGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccoc2)cc1 ZINC000052442681 454673368 /nfs/dbraw/zinc/67/33/68/454673368.db2.gz WFOIIINHGVHHCA-UHFFFAOYSA-N 1 2 341.411 3.057 20 30 EGEDLO COC(=O)c1cccc(C#Cc2cccc(NCc3[nH+]ccn3C)c2)c1 ZINC000123923738 454688443 /nfs/dbraw/zinc/68/84/43/454688443.db2.gz GYVGOMDZEODGLF-UHFFFAOYSA-N 1 2 345.402 3.219 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCO[C@@](C)(CC)C1 ZINC000135630925 454695938 /nfs/dbraw/zinc/69/59/38/454695938.db2.gz WKRRSEJUKFLLIZ-YJBOKZPZSA-N 1 2 336.501 3.152 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000135630925 454695941 /nfs/dbraw/zinc/69/59/41/454695941.db2.gz WKRRSEJUKFLLIZ-YJBOKZPZSA-N 1 2 336.501 3.152 20 30 EGEDLO CCc1ccc(C2=CC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)cc1 ZINC000093263717 454697146 /nfs/dbraw/zinc/69/71/46/454697146.db2.gz BXVCCHRSWUQELX-NRFANRHFSA-N 1 2 337.467 3.147 20 30 EGEDLO CCc1ccc(C2=CC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)cc1 ZINC000093263717 454697148 /nfs/dbraw/zinc/69/71/48/454697148.db2.gz BXVCCHRSWUQELX-NRFANRHFSA-N 1 2 337.467 3.147 20 30 EGEDLO C[S@@](=O)c1ccc(CNc2[nH+]cccc2OCCCC#N)cc1 ZINC000162237477 454761695 /nfs/dbraw/zinc/76/16/95/454761695.db2.gz ZDPYHJAMMQCAGS-QHCPKHFHSA-N 1 2 329.425 3.114 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCOC2(CCCC2)C1 ZINC000139765410 454810644 /nfs/dbraw/zinc/81/06/44/454810644.db2.gz PGEMOIWWOAGEML-MRXNPFEDSA-N 1 2 348.512 3.296 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCOC2(CCCC2)C1 ZINC000139765410 454810651 /nfs/dbraw/zinc/81/06/51/454810651.db2.gz PGEMOIWWOAGEML-MRXNPFEDSA-N 1 2 348.512 3.296 20 30 EGEDLO COc1ccc(N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)cc1 ZINC000139924403 454813852 /nfs/dbraw/zinc/81/38/52/454813852.db2.gz IPSZCGYJCOPPHU-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000143244422 454841622 /nfs/dbraw/zinc/84/16/22/454841622.db2.gz NLFWPXWTNPHYQY-IRXDYDNUSA-N 1 2 335.451 3.372 20 30 EGEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000143244422 454841624 /nfs/dbraw/zinc/84/16/24/454841624.db2.gz NLFWPXWTNPHYQY-IRXDYDNUSA-N 1 2 335.451 3.372 20 30 EGEDLO COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000111250441 454859299 /nfs/dbraw/zinc/85/92/99/454859299.db2.gz AQJVVJRBSRKQQP-INIZCTEOSA-N 1 2 345.487 3.476 20 30 EGEDLO COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000111250441 454859302 /nfs/dbraw/zinc/85/93/02/454859302.db2.gz AQJVVJRBSRKQQP-INIZCTEOSA-N 1 2 345.487 3.476 20 30 EGEDLO N#Cc1ccc(C(=O)NCCCCNc2cccc[nH+]2)cc1Cl ZINC000126483282 454897146 /nfs/dbraw/zinc/89/71/46/454897146.db2.gz GROMDOWJVGWLDP-UHFFFAOYSA-N 1 2 328.803 3.229 20 30 EGEDLO CC[C@H](C#N)Sc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000127017373 454932905 /nfs/dbraw/zinc/93/29/05/454932905.db2.gz SCEFKGWBJLRQFA-OAHLLOKOSA-N 1 2 327.457 3.257 20 30 EGEDLO C=CC[NH+](CC=C)CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000114723933 454973099 /nfs/dbraw/zinc/97/30/99/454973099.db2.gz QDKUQGRBOZCGQP-UHFFFAOYSA-N 1 2 336.439 3.362 20 30 EGEDLO C[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000127592115 454980191 /nfs/dbraw/zinc/98/01/91/454980191.db2.gz TVBNSQKJUKCSLW-GFCCVEGCSA-N 1 2 328.803 3.238 20 30 EGEDLO C[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000127592115 454980196 /nfs/dbraw/zinc/98/01/96/454980196.db2.gz TVBNSQKJUKCSLW-GFCCVEGCSA-N 1 2 328.803 3.238 20 30 EGEDLO CC[N@H+](CCC#N)Cc1cc(OC)ccc1OCc1ccccn1 ZINC000127601870 454980936 /nfs/dbraw/zinc/98/09/36/454980936.db2.gz XRSMEOPDEILZLC-UHFFFAOYSA-N 1 2 325.412 3.405 20 30 EGEDLO CC[N@@H+](CCC#N)Cc1cc(OC)ccc1OCc1ccccn1 ZINC000127601870 454980939 /nfs/dbraw/zinc/98/09/39/454980939.db2.gz XRSMEOPDEILZLC-UHFFFAOYSA-N 1 2 325.412 3.405 20 30 EGEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1cccc(N2CCOC2=O)c1 ZINC000178944873 454992133 /nfs/dbraw/zinc/99/21/33/454992133.db2.gz HDWIJEYFCYKSLB-BQYQJAHWSA-N 1 2 333.347 3.187 20 30 EGEDLO COc1cccc(/C=[NH+]/C[C@@H]2CCCN2C(=O)OC(C)(C)C)c1O ZINC000170963934 455006449 /nfs/dbraw/zinc/00/64/49/455006449.db2.gz LLESXSXMBWJZRY-YRIIZNAFSA-N 1 2 334.416 3.219 20 30 EGEDLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)s1 ZINC000155690389 455031859 /nfs/dbraw/zinc/03/18/59/455031859.db2.gz LBJDAQVYJQXYFJ-LLVKDONJSA-N 1 2 346.456 3.473 20 30 EGEDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)s1 ZINC000155690389 455031865 /nfs/dbraw/zinc/03/18/65/455031865.db2.gz LBJDAQVYJQXYFJ-LLVKDONJSA-N 1 2 346.456 3.473 20 30 EGEDLO Cc1occc1C[N@@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000128481594 455060370 /nfs/dbraw/zinc/06/03/70/455060370.db2.gz URHKEBYTVYKVCM-LLVKDONJSA-N 1 2 343.452 3.469 20 30 EGEDLO Cc1occc1C[N@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000128481594 455060373 /nfs/dbraw/zinc/06/03/73/455060373.db2.gz URHKEBYTVYKVCM-LLVKDONJSA-N 1 2 343.452 3.469 20 30 EGEDLO Cc1occc1C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000128494834 455061895 /nfs/dbraw/zinc/06/18/95/455061895.db2.gz TUKJMIIGRRJVOZ-OAHLLOKOSA-N 1 2 325.412 3.355 20 30 EGEDLO Cc1occc1C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000128494834 455061897 /nfs/dbraw/zinc/06/18/97/455061897.db2.gz TUKJMIIGRRJVOZ-OAHLLOKOSA-N 1 2 325.412 3.355 20 30 EGEDLO CCOC(=O)C[N@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000128589298 455070500 /nfs/dbraw/zinc/07/05/00/455070500.db2.gz FFVKOHPCVRIXKU-UHFFFAOYSA-N 1 2 338.407 3.132 20 30 EGEDLO CCOC(=O)C[N@@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000128589298 455070503 /nfs/dbraw/zinc/07/05/03/455070503.db2.gz FFVKOHPCVRIXKU-UHFFFAOYSA-N 1 2 338.407 3.132 20 30 EGEDLO FC(F)(F)CN1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000156095553 455081432 /nfs/dbraw/zinc/08/14/32/455081432.db2.gz WLYLDHPXSGYXRX-UHFFFAOYSA-N 1 2 330.781 3.262 20 30 EGEDLO FC(F)(F)CN1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000156095553 455081433 /nfs/dbraw/zinc/08/14/33/455081433.db2.gz WLYLDHPXSGYXRX-UHFFFAOYSA-N 1 2 330.781 3.262 20 30 EGEDLO Cc1c[nH+]ccc1NC(=O)NCCSCc1ccccc1C#N ZINC000179864003 455090987 /nfs/dbraw/zinc/09/09/87/455090987.db2.gz YNUAXGUAOWILSH-UHFFFAOYSA-N 1 2 326.425 3.317 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000118421121 455105716 /nfs/dbraw/zinc/10/57/16/455105716.db2.gz AOHHXZFVYNRVDE-IPELMVKDSA-N 1 2 345.512 3.219 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000118421121 455105718 /nfs/dbraw/zinc/10/57/18/455105718.db2.gz AOHHXZFVYNRVDE-IPELMVKDSA-N 1 2 345.512 3.219 20 30 EGEDLO Cc1occc1C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000172210155 455134997 /nfs/dbraw/zinc/13/49/97/455134997.db2.gz JQMPOFQYBJXPSK-CQSZACIVSA-N 1 2 343.402 3.494 20 30 EGEDLO Cc1occc1C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000172210155 455135000 /nfs/dbraw/zinc/13/50/00/455135000.db2.gz JQMPOFQYBJXPSK-CQSZACIVSA-N 1 2 343.402 3.494 20 30 EGEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CC(F)F)sc2C1 ZINC000156659890 455142075 /nfs/dbraw/zinc/14/20/75/455142075.db2.gz AOBVNPGAZVCTAL-SNVBAGLBSA-N 1 2 341.427 3.270 20 30 EGEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)CC(F)F)sc2C1 ZINC000156659890 455142079 /nfs/dbraw/zinc/14/20/79/455142079.db2.gz AOBVNPGAZVCTAL-SNVBAGLBSA-N 1 2 341.427 3.270 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180486636 455180361 /nfs/dbraw/zinc/18/03/61/455180361.db2.gz WFPFSLRQWLVQLS-NSHDSACASA-N 1 2 347.340 3.435 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180486636 455180363 /nfs/dbraw/zinc/18/03/63/455180363.db2.gz WFPFSLRQWLVQLS-NSHDSACASA-N 1 2 347.340 3.435 20 30 EGEDLO C=C1CC[NH+](CC(=O)N[C@H](c2nccs2)c2ccccc2)CC1 ZINC000264455552 455217788 /nfs/dbraw/zinc/21/77/88/455217788.db2.gz JCRMTSYLUJTWOV-KRWDZBQOSA-N 1 2 327.453 3.001 20 30 EGEDLO C[C@@H](O[NH+]=C(N)c1ccc(N2CCCCC2)nc1)c1cccc(C#N)c1 ZINC000190091088 455278331 /nfs/dbraw/zinc/27/83/31/455278331.db2.gz FKGFVDCXWIKXDQ-OAHLLOKOSA-N 1 2 349.438 3.342 20 30 EGEDLO CC1(C)C[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC(C)(C)O1 ZINC000190524853 455336812 /nfs/dbraw/zinc/33/68/12/455336812.db2.gz BNDGOOPFEORARM-UHFFFAOYSA-N 1 2 335.835 3.040 20 30 EGEDLO COCCCCCO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000266302373 455427261 /nfs/dbraw/zinc/42/72/61/455427261.db2.gz OCEACACDIOVPLF-UHFFFAOYSA-N 1 2 343.427 3.114 20 30 EGEDLO C=CCn1c(SCc2ccc(-n3cc[nH+]c3)nc2)nnc1C1CC1 ZINC000175232396 455428623 /nfs/dbraw/zinc/42/86/23/455428623.db2.gz ABZDWTIQALIYBS-UHFFFAOYSA-N 1 2 338.440 3.215 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000160971316 455519158 /nfs/dbraw/zinc/51/91/58/455519158.db2.gz GNCSWCGSSABROR-HNNXBMFYSA-N 1 2 333.407 3.186 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000160971316 455519163 /nfs/dbraw/zinc/51/91/63/455519163.db2.gz GNCSWCGSSABROR-HNNXBMFYSA-N 1 2 333.407 3.186 20 30 EGEDLO C#CC[N@@H+](C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000192237384 455579592 /nfs/dbraw/zinc/57/95/92/455579592.db2.gz KEASMGUCVGHABO-AWEZNQCLSA-N 1 2 343.477 3.052 20 30 EGEDLO C#CC[N@H+](C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000192237384 455579594 /nfs/dbraw/zinc/57/95/94/455579594.db2.gz KEASMGUCVGHABO-AWEZNQCLSA-N 1 2 343.477 3.052 20 30 EGEDLO COc1ccc([C@H](CN(C)C)[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000284135136 455641050 /nfs/dbraw/zinc/64/10/50/455641050.db2.gz USRJKITZEPZCEC-IBGZPJMESA-N 1 2 327.403 3.098 20 30 EGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C3(C#N)CCCC3)n2)C1 ZINC000292448907 455666235 /nfs/dbraw/zinc/66/62/35/455666235.db2.gz FUAUJRZXZXJBMX-ZDUSSCGKSA-N 1 2 332.473 3.397 20 30 EGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C3(C#N)CCCC3)n2)C1 ZINC000292448907 455666238 /nfs/dbraw/zinc/66/62/38/455666238.db2.gz FUAUJRZXZXJBMX-ZDUSSCGKSA-N 1 2 332.473 3.397 20 30 EGEDLO CC(C)CO[C@@H](C)C(N)=[NH+]O[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000284378206 455676420 /nfs/dbraw/zinc/67/64/20/455676420.db2.gz LVMQZMDBMXCYRO-STQMWFEESA-N 1 2 332.404 3.148 20 30 EGEDLO CC[C@@H]1C(=O)NCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193056892 455739334 /nfs/dbraw/zinc/73/93/34/455739334.db2.gz PDDOLAURSOGGAD-HXUWFJFHSA-N 1 2 347.462 3.097 20 30 EGEDLO CC[C@@H]1C(=O)NCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193056892 455739338 /nfs/dbraw/zinc/73/93/38/455739338.db2.gz PDDOLAURSOGGAD-HXUWFJFHSA-N 1 2 347.462 3.097 20 30 EGEDLO N#C[C@]1(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC12CCCC2 ZINC000294354018 455812329 /nfs/dbraw/zinc/81/23/29/455812329.db2.gz BGADXPOETGFHEM-IBGZPJMESA-N 1 2 338.386 3.102 20 30 EGEDLO C#CCCOc1ccc(C[NH2+]Cc2ncc(C(F)(F)F)cn2)cc1 ZINC000295066471 455838091 /nfs/dbraw/zinc/83/80/91/455838091.db2.gz QRDDXLLCNYRREO-UHFFFAOYSA-N 1 2 335.329 3.187 20 30 EGEDLO C=C[C@@](C)(O)CC(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000278510418 455839248 /nfs/dbraw/zinc/83/92/48/455839248.db2.gz ANYUYKQAXNMAQX-LJQANCHMSA-N 1 2 325.412 3.152 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1cccc(C#N)c1 ZINC000194534030 455855389 /nfs/dbraw/zinc/85/53/89/455855389.db2.gz POIBAMLWRNERFM-UHFFFAOYSA-N 1 2 330.391 3.057 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1cccc(C#N)c1 ZINC000194534030 455855391 /nfs/dbraw/zinc/85/53/91/455855391.db2.gz POIBAMLWRNERFM-UHFFFAOYSA-N 1 2 330.391 3.057 20 30 EGEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000255684460 455872871 /nfs/dbraw/zinc/87/28/71/455872871.db2.gz IKDGKVKHFCQGQO-HIFRSBDPSA-N 1 2 342.468 3.194 20 30 EGEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000255684460 455872874 /nfs/dbraw/zinc/87/28/74/455872874.db2.gz IKDGKVKHFCQGQO-HIFRSBDPSA-N 1 2 342.468 3.194 20 30 EGEDLO C=CC[N@@H+](CCc1cc(Cl)cc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000194723355 455877461 /nfs/dbraw/zinc/87/74/61/455877461.db2.gz QXODEXHFKXHKJJ-OAHLLOKOSA-N 1 2 348.295 3.211 20 30 EGEDLO C=CC[N@H+](CCc1cc(Cl)cc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000194723355 455877463 /nfs/dbraw/zinc/87/74/63/455877463.db2.gz QXODEXHFKXHKJJ-OAHLLOKOSA-N 1 2 348.295 3.211 20 30 EGEDLO C=CC[C@H](C)NC(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270231155 455907756 /nfs/dbraw/zinc/90/77/56/455907756.db2.gz NXTZSNVTYCMATO-HOCLYGCPSA-N 1 2 326.444 3.483 20 30 EGEDLO C=C(C)[C@H](CC(=O)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1)OCC ZINC000270245703 455911117 /nfs/dbraw/zinc/91/11/17/455911117.db2.gz XKWSPDRTYXMZLL-INIZCTEOSA-N 1 2 331.391 3.453 20 30 EGEDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCc2ccc(C#N)cc21 ZINC000270268014 455915955 /nfs/dbraw/zinc/91/59/55/455915955.db2.gz RNKXITCPADSISA-UHFFFAOYSA-N 1 2 330.391 3.060 20 30 EGEDLO C#CC[C@@H](NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C)c1ccccc1 ZINC000296626235 455993903 /nfs/dbraw/zinc/99/39/03/455993903.db2.gz YNIRVLCTKVWEOB-IAGOWNOFSA-N 1 2 336.439 3.277 20 30 EGEDLO COc1cccc(N2CC[NH+](Cc3cn4ccccc4c3C#N)CC2)c1 ZINC000198406381 456006663 /nfs/dbraw/zinc/00/66/63/456006663.db2.gz XCMFBUMGPWOOGC-UHFFFAOYSA-N 1 2 346.434 3.142 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286258198 456010808 /nfs/dbraw/zinc/01/08/08/456010808.db2.gz AWIRGONDZRLYGB-TZMCWYRMSA-N 1 2 332.753 3.204 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286258198 456010812 /nfs/dbraw/zinc/01/08/12/456010812.db2.gz AWIRGONDZRLYGB-TZMCWYRMSA-N 1 2 332.753 3.204 20 30 EGEDLO C#C[C@@H](NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C(C)(C)C ZINC000288687991 456102416 /nfs/dbraw/zinc/10/24/16/456102416.db2.gz VIGXQLQBVDQFSB-DOTOQJQBSA-N 1 2 342.487 3.156 20 30 EGEDLO C=CCOc1ccccc1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000288970923 456110125 /nfs/dbraw/zinc/11/01/25/456110125.db2.gz BHDQSJFTCLCCLC-WMLDXEAASA-N 1 2 341.411 3.227 20 30 EGEDLO C=CCOc1ccccc1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000288970923 456110133 /nfs/dbraw/zinc/11/01/33/456110133.db2.gz BHDQSJFTCLCCLC-WMLDXEAASA-N 1 2 341.411 3.227 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(-c3ccc(C)cc3)s2)C1=O ZINC000281133607 456141634 /nfs/dbraw/zinc/14/16/34/456141634.db2.gz DEUPEBHXUKJUCE-KRWDZBQOSA-N 1 2 341.480 3.337 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccc(C)cc3)s2)C1=O ZINC000281133607 456141636 /nfs/dbraw/zinc/14/16/36/456141636.db2.gz DEUPEBHXUKJUCE-KRWDZBQOSA-N 1 2 341.480 3.337 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)c2ncc(-c3ccccc3)o2)C1=O ZINC000281375345 456217968 /nfs/dbraw/zinc/21/79/68/456217968.db2.gz OTUYWNKXMPJRJU-ZBFHGGJFSA-N 1 2 325.412 3.121 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)c2ncc(-c3ccccc3)o2)C1=O ZINC000281375345 456217976 /nfs/dbraw/zinc/21/79/76/456217976.db2.gz OTUYWNKXMPJRJU-ZBFHGGJFSA-N 1 2 325.412 3.121 20 30 EGEDLO C=CCCC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273266794 456221379 /nfs/dbraw/zinc/22/13/79/456221379.db2.gz IUBHFVUSAZQDLP-UHFFFAOYSA-N 1 2 336.233 3.030 20 30 EGEDLO C=CCCCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000274613096 456262383 /nfs/dbraw/zinc/26/23/83/456262383.db2.gz UXMSKYFXLXKHRC-MRXNPFEDSA-N 1 2 330.407 3.304 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000275447736 456275210 /nfs/dbraw/zinc/27/52/10/456275210.db2.gz HYKQNAQQEBMNEH-JXFKEZNVSA-N 1 2 346.471 3.247 20 30 EGEDLO N#Cc1cccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1 ZINC000347682267 456304151 /nfs/dbraw/zinc/30/41/51/456304151.db2.gz AQTNWDXUPXDOIR-UHFFFAOYSA-N 1 2 332.363 3.086 20 30 EGEDLO C=CCCN(C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000276017022 456370796 /nfs/dbraw/zinc/37/07/96/456370796.db2.gz AGVMVEKAEOIXEJ-HNNXBMFYSA-N 1 2 332.835 3.380 20 30 EGEDLO N#CCSc1cccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000343337601 456539067 /nfs/dbraw/zinc/53/90/67/456539067.db2.gz ALQUOQKCQPRDME-UHFFFAOYSA-N 1 2 349.419 3.194 20 30 EGEDLO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc2n[nH]cc2c1 ZINC000353183233 456546027 /nfs/dbraw/zinc/54/60/27/456546027.db2.gz PIFKFPMMGUSKQL-LBPRGKRZSA-N 1 2 344.378 3.335 20 30 EGEDLO CC1(C)CCC[N@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)[C@H]1C#N ZINC000282545179 456548175 /nfs/dbraw/zinc/54/81/75/456548175.db2.gz RUTQSQBITZYODA-WMZOPIPTSA-N 1 2 325.456 3.163 20 30 EGEDLO CC1(C)CCC[N@@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)[C@H]1C#N ZINC000282545179 456548180 /nfs/dbraw/zinc/54/81/80/456548180.db2.gz RUTQSQBITZYODA-WMZOPIPTSA-N 1 2 325.456 3.163 20 30 EGEDLO CC1(C)CCC[N@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)[C@@H]1C#N ZINC000282545174 456548923 /nfs/dbraw/zinc/54/89/23/456548923.db2.gz RUTQSQBITZYODA-SJLPKXTDSA-N 1 2 325.456 3.163 20 30 EGEDLO CC1(C)CCC[N@@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)[C@@H]1C#N ZINC000282545174 456548930 /nfs/dbraw/zinc/54/89/30/456548930.db2.gz RUTQSQBITZYODA-SJLPKXTDSA-N 1 2 325.456 3.163 20 30 EGEDLO C=CC[N@@H+](CC(=O)N(C)Cc1ccccc1)Cc1ccccc1F ZINC000340638156 456590128 /nfs/dbraw/zinc/59/01/28/456590128.db2.gz LJIWIHATVKWMJE-UHFFFAOYSA-N 1 2 326.415 3.472 20 30 EGEDLO C=CC[N@H+](CC(=O)N(C)Cc1ccccc1)Cc1ccccc1F ZINC000340638156 456590137 /nfs/dbraw/zinc/59/01/37/456590137.db2.gz LJIWIHATVKWMJE-UHFFFAOYSA-N 1 2 326.415 3.472 20 30 EGEDLO CC1CCN(c2ccc(CNC(=O)C3(C#N)CCCC3)c[nH+]2)CC1 ZINC000299117998 456611228 /nfs/dbraw/zinc/61/12/28/456611228.db2.gz XKOZKDJOKZTPIA-UHFFFAOYSA-N 1 2 326.444 3.018 20 30 EGEDLO N#Cc1cccc(COc2cccc(NC(=O)CCn3cc[nH+]c3)c2)c1 ZINC000338002380 456648944 /nfs/dbraw/zinc/64/89/44/456648944.db2.gz NLRKAHTVLSJKMD-UHFFFAOYSA-N 1 2 346.390 3.363 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000338157496 456670615 /nfs/dbraw/zinc/67/06/15/456670615.db2.gz UVFRGDGIGNKPDL-UHFFFAOYSA-N 1 2 348.450 3.428 20 30 EGEDLO C=CC[C@H](CC)NC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000348410170 456671798 /nfs/dbraw/zinc/67/17/98/456671798.db2.gz PSTYEBBCHNXSCT-RBUKOAKNSA-N 1 2 345.487 3.022 20 30 EGEDLO C=CC[C@@H](CC)NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000348410165 456672252 /nfs/dbraw/zinc/67/22/52/456672252.db2.gz PSTYEBBCHNXSCT-MOPGFXCFSA-N 1 2 345.487 3.022 20 30 EGEDLO CCO[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCOCC2)C12CCCCC2 ZINC000328689721 456738770 /nfs/dbraw/zinc/73/87/70/456738770.db2.gz QMSPACZDODCFJN-HZPDHXFCSA-N 1 2 338.492 3.182 20 30 EGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@H]2CCNC(=O)C2)C[C@@H](C)O1 ZINC000328695603 456739218 /nfs/dbraw/zinc/73/92/18/456739218.db2.gz TWMCBXQLOXFFFQ-KFWWJZLASA-N 1 2 345.443 3.250 20 30 EGEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ncc(C(C)(C)C)s2)C1 ZINC000328777014 456758294 /nfs/dbraw/zinc/75/82/94/456758294.db2.gz CXIBVFMMEVAUQK-NSHDSACASA-N 1 2 333.461 3.209 20 30 EGEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCCC12CCCCC2 ZINC000328894779 456786900 /nfs/dbraw/zinc/78/69/00/456786900.db2.gz VWAVUNRZZHHMAK-UHFFFAOYSA-N 1 2 330.476 3.475 20 30 EGEDLO COc1cccc2c(N3CC[C@H](Oc4ccc(C#N)cn4)C3)cc[nH+]c12 ZINC000291912044 456796868 /nfs/dbraw/zinc/79/68/68/456796868.db2.gz QVSGDLWWKRSYDN-HNNXBMFYSA-N 1 2 346.390 3.168 20 30 EGEDLO CC(C)[C@H](NC(=O)C[N@@H+]1CCO[C@@]2(CCCOC2)C1)c1ccccc1 ZINC000329073187 456829384 /nfs/dbraw/zinc/82/93/84/456829384.db2.gz OSGFSNPOSNPMLI-PMACEKPBSA-N 1 2 346.471 3.222 20 30 EGEDLO CC(C)[C@H](NC(=O)C[N@H+]1CCO[C@@]2(CCCOC2)C1)c1ccccc1 ZINC000329073187 456829389 /nfs/dbraw/zinc/82/93/89/456829389.db2.gz OSGFSNPOSNPMLI-PMACEKPBSA-N 1 2 346.471 3.222 20 30 EGEDLO C=CCOCCSc1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000338540584 456838742 /nfs/dbraw/zinc/83/87/42/456838742.db2.gz RLXGKIQBDLYDKC-UHFFFAOYSA-N 1 2 330.388 3.249 20 30 EGEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCO[C@H](C(C)C)C2)C1 ZINC000329156587 456844894 /nfs/dbraw/zinc/84/48/94/456844894.db2.gz VUSCEJINVWITMZ-ZACQAIPSSA-N 1 2 348.491 3.200 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NC1CCC2(CC2)CC1)C1CCOCC1 ZINC000329195706 456851945 /nfs/dbraw/zinc/85/19/45/456851945.db2.gz SNFITDPEZCXLQR-INIZCTEOSA-N 1 2 346.475 3.114 20 30 EGEDLO C[C@H]1CC[C@@H](C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)C1 ZINC000329202190 456852671 /nfs/dbraw/zinc/85/26/71/456852671.db2.gz CEFUJTTUJQBMKB-QWHCGFSZSA-N 1 2 328.416 3.424 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)N1CCC[C@@H]1C(F)F)C2 ZINC000329407308 456886066 /nfs/dbraw/zinc/88/60/66/456886066.db2.gz CFOGGDHYXVJHHG-VXGBXAGGSA-N 1 2 340.418 3.139 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@@H](C)CC1)C1CCOCC1 ZINC000329475103 456896705 /nfs/dbraw/zinc/89/67/05/456896705.db2.gz BBKAQZFOJAXLEU-NVXWUHKLSA-N 1 2 348.491 3.407 20 30 EGEDLO C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329582160 456911249 /nfs/dbraw/zinc/91/12/49/456911249.db2.gz AHPGVGLVWSMPRK-HEHGZKQESA-N 1 2 326.400 3.025 20 30 EGEDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)[C@@H]1C[C@]12CCOC2 ZINC000329649809 456921570 /nfs/dbraw/zinc/92/15/70/456921570.db2.gz JTGGVCAJYPIYHK-LPHOPBHVSA-N 1 2 329.444 3.345 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1[nH+]ccn1C ZINC000341765742 456933257 /nfs/dbraw/zinc/93/32/57/456933257.db2.gz AJTXQYKIQJNAKX-CYBMUJFWSA-N 1 2 343.456 3.478 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@H]1CCCc3n[nH]cc31)C2 ZINC000329809917 456944161 /nfs/dbraw/zinc/94/41/61/456944161.db2.gz QIDOPHSYQPYHSS-STQMWFEESA-N 1 2 341.459 3.295 20 30 EGEDLO Cc1nc2ccccn2c1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341813462 456955887 /nfs/dbraw/zinc/95/58/87/456955887.db2.gz QYVPYNGYZPHHFS-LJQANCHMSA-N 1 2 332.407 3.088 20 30 EGEDLO Cc1nc2ccccn2c1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341813462 456955893 /nfs/dbraw/zinc/95/58/93/456955893.db2.gz QYVPYNGYZPHHFS-LJQANCHMSA-N 1 2 332.407 3.088 20 30 EGEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)C[C@H]1C=CCCC1 ZINC000329994968 456971869 /nfs/dbraw/zinc/97/18/69/456971869.db2.gz ZSYQTIAQPPEMFL-JYJNAYRXSA-N 1 2 334.439 3.035 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NCc1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000341878729 456983881 /nfs/dbraw/zinc/98/38/81/456983881.db2.gz RXRBQKBGGMGJPW-GOSISDBHSA-N 1 2 338.361 3.449 20 30 EGEDLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000330104372 456985391 /nfs/dbraw/zinc/98/53/91/456985391.db2.gz GXEXRKHQSZMRFC-BOSXTWCSSA-N 1 2 346.471 3.281 20 30 EGEDLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000330104372 456985393 /nfs/dbraw/zinc/98/53/93/456985393.db2.gz GXEXRKHQSZMRFC-BOSXTWCSSA-N 1 2 346.471 3.281 20 30 EGEDLO CC(=O)N[C@@H](C)C1CC[NH+](Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000330167749 456995073 /nfs/dbraw/zinc/99/50/73/456995073.db2.gz VZODBDLXKDGDPN-LBPRGKRZSA-N 1 2 331.464 3.067 20 30 EGEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000345793796 456995225 /nfs/dbraw/zinc/99/52/25/456995225.db2.gz GOBFWPBSCYGJNK-NZSAHSFTSA-N 1 2 348.450 3.315 20 30 EGEDLO C=CCc1cc(CN2CC[NH+](Cc3ccco3)CC2)cc(OC)c1O ZINC000349655874 457007931 /nfs/dbraw/zinc/00/79/31/457007931.db2.gz SPTMNJQUJOCUJN-UHFFFAOYSA-N 1 2 342.439 3.040 20 30 EGEDLO C=CCc1cc(C[NH+]2CCN(Cc3ccco3)CC2)cc(OC)c1O ZINC000349655874 457007939 /nfs/dbraw/zinc/00/79/39/457007939.db2.gz SPTMNJQUJOCUJN-UHFFFAOYSA-N 1 2 342.439 3.040 20 30 EGEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000345945765 457008503 /nfs/dbraw/zinc/00/85/03/457008503.db2.gz GEWOBQPFAXAIBX-IAGOWNOFSA-N 1 2 340.423 3.453 20 30 EGEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000345945765 457008509 /nfs/dbraw/zinc/00/85/09/457008509.db2.gz GEWOBQPFAXAIBX-IAGOWNOFSA-N 1 2 340.423 3.453 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCc1cncc(C)c1 ZINC000330275662 457018412 /nfs/dbraw/zinc/01/84/12/457018412.db2.gz LVCMMQGREORLRW-INIZCTEOSA-N 1 2 327.432 3.248 20 30 EGEDLO COCC1(C#N)CC[NH+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000341969885 457031947 /nfs/dbraw/zinc/03/19/47/457031947.db2.gz CFVFOWLBZCZIDW-QGZVFWFLSA-N 1 2 343.471 3.191 20 30 EGEDLO N#CC1CC[NH+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000330607952 457061122 /nfs/dbraw/zinc/06/11/22/457061122.db2.gz MKEDNTAUPJSNGI-UHFFFAOYSA-N 1 2 336.226 3.310 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000359364470 457077077 /nfs/dbraw/zinc/07/70/77/457077077.db2.gz UYOLMYHYTRFMOY-GFCCVEGCSA-N 1 2 344.440 3.383 20 30 EGEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)Nc1cccc(Br)c1 ZINC000330834397 457092108 /nfs/dbraw/zinc/09/21/08/457092108.db2.gz KVVPSXOAZUMTMN-MJVIPROJSA-N 1 2 336.233 3.058 20 30 EGEDLO C=CC[C@H](CO)CNC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000342165186 457145252 /nfs/dbraw/zinc/14/52/52/457145252.db2.gz QPXRSSUJUAJDPU-ZDUSSCGKSA-N 1 2 346.814 3.442 20 30 EGEDLO C[C@H](C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(C#N)c1 ZINC000359915233 457145731 /nfs/dbraw/zinc/14/57/31/457145731.db2.gz CZTVIEACDXTDSB-INIZCTEOSA-N 1 2 344.418 3.223 20 30 EGEDLO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000350060626 457158898 /nfs/dbraw/zinc/15/88/98/457158898.db2.gz SRDATWAVRMGLBY-NEWSRXKRSA-N 1 2 325.456 3.159 20 30 EGEDLO C[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000350060626 457158905 /nfs/dbraw/zinc/15/89/05/457158905.db2.gz SRDATWAVRMGLBY-NEWSRXKRSA-N 1 2 325.456 3.159 20 30 EGEDLO C=CCC[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000342218371 457175643 /nfs/dbraw/zinc/17/56/43/457175643.db2.gz HJOSKAATJBJQCB-LBPRGKRZSA-N 1 2 326.322 3.326 20 30 EGEDLO C[C@H]1CN(c2ccc(Nc3c(C#N)cccc3C#N)c[nH+]2)C[C@H](C)O1 ZINC000359996649 457194529 /nfs/dbraw/zinc/19/45/29/457194529.db2.gz XTLTURRDDJHGMJ-KBPBESRZSA-N 1 2 333.395 3.182 20 30 EGEDLO Cc1cccc(C[N@H+](CC(=O)NC2(C#N)CCC2)Cc2ccco2)c1 ZINC000346983924 457194633 /nfs/dbraw/zinc/19/46/33/457194633.db2.gz NUSOPISVJGCSIM-UHFFFAOYSA-N 1 2 337.423 3.153 20 30 EGEDLO Cc1cccc(C[N@@H+](CC(=O)NC2(C#N)CCC2)Cc2ccco2)c1 ZINC000346983924 457194637 /nfs/dbraw/zinc/19/46/37/457194637.db2.gz NUSOPISVJGCSIM-UHFFFAOYSA-N 1 2 337.423 3.153 20 30 EGEDLO C=CCOc1ccc(Cc2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)cc1 ZINC000351060347 457216159 /nfs/dbraw/zinc/21/61/59/457216159.db2.gz XATVWWRMTUDQFO-QGZVFWFLSA-N 1 2 343.427 3.007 20 30 EGEDLO C=CCOc1ccc(Cc2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)cc1 ZINC000351060347 457216163 /nfs/dbraw/zinc/21/61/63/457216163.db2.gz XATVWWRMTUDQFO-QGZVFWFLSA-N 1 2 343.427 3.007 20 30 EGEDLO N#Cc1cccc(OCC[N@H+](Cc2cc[nH]n2)Cc2ccccc2)c1 ZINC000354511212 457263323 /nfs/dbraw/zinc/26/33/23/457263323.db2.gz YPJXWFICEPGYBI-UHFFFAOYSA-N 1 2 332.407 3.363 20 30 EGEDLO N#Cc1cccc(OCC[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)c1 ZINC000354511212 457263337 /nfs/dbraw/zinc/26/33/37/457263337.db2.gz YPJXWFICEPGYBI-UHFFFAOYSA-N 1 2 332.407 3.363 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000354831176 457323048 /nfs/dbraw/zinc/32/30/48/457323048.db2.gz OETSESDSDBCCBC-QLFBSQMISA-N 1 2 331.435 3.141 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000354831176 457323050 /nfs/dbraw/zinc/32/30/50/457323050.db2.gz OETSESDSDBCCBC-QLFBSQMISA-N 1 2 331.435 3.141 20 30 EGEDLO N#CCCN(C(=O)C[NH2+]C1(C(F)F)CCCCC1)c1ccccc1 ZINC000352203178 457347289 /nfs/dbraw/zinc/34/72/89/457347289.db2.gz PUCRUSFRDWEJPG-UHFFFAOYSA-N 1 2 335.398 3.491 20 30 EGEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](C#N)c1ccccc1F)C2 ZINC000355606688 457394193 /nfs/dbraw/zinc/39/41/93/457394193.db2.gz LPRBHNYXCVGBTB-YVEFUNNKSA-N 1 2 340.402 3.158 20 30 EGEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](C#N)c1ccccc1F)CC2 ZINC000355606688 457394204 /nfs/dbraw/zinc/39/42/04/457394204.db2.gz LPRBHNYXCVGBTB-YVEFUNNKSA-N 1 2 340.402 3.158 20 30 EGEDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000347525379 457485034 /nfs/dbraw/zinc/48/50/34/457485034.db2.gz UCPCLANPWAAPJO-UHFFFAOYSA-N 1 2 346.390 3.133 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccc(I)cc2)C1 ZINC000397565088 457488954 /nfs/dbraw/zinc/48/89/54/457488954.db2.gz CEFSYZBWTNBPAV-GFCCVEGCSA-N 1 2 340.208 3.417 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](Cc2ccc(I)cc2)C1 ZINC000397565088 457488957 /nfs/dbraw/zinc/48/89/57/457488957.db2.gz CEFSYZBWTNBPAV-GFCCVEGCSA-N 1 2 340.208 3.417 20 30 EGEDLO C[C@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000342782808 457523695 /nfs/dbraw/zinc/52/36/95/457523695.db2.gz SWJUMUDIGLFZNO-MRXNPFEDSA-N 1 2 327.472 3.275 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCC(C(=O)c2cccs2)CC1 ZINC000370078775 457531180 /nfs/dbraw/zinc/53/11/80/457531180.db2.gz WSLHAUZHCJCHNB-UHFFFAOYSA-N 1 2 334.485 3.067 20 30 EGEDLO N#Cc1cccc(C2(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)CC2)c1 ZINC000347594554 457535254 /nfs/dbraw/zinc/53/52/54/457535254.db2.gz YIHUWQMLKNAZJO-UHFFFAOYSA-N 1 2 342.402 3.222 20 30 EGEDLO C=CCOC[C@H]([NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)C(=O)OC ZINC000361109953 457586579 /nfs/dbraw/zinc/58/65/79/457586579.db2.gz OKLKOIGIHSZKMJ-ROUUACIJSA-N 1 2 333.403 3.095 20 30 EGEDLO N#Cc1csc(C[N@H+]2CCC[C@H](OCc3ccccc3F)C2)n1 ZINC000356401519 457607179 /nfs/dbraw/zinc/60/71/79/457607179.db2.gz WUICVVQVZKEKDV-HNNXBMFYSA-N 1 2 331.416 3.335 20 30 EGEDLO N#Cc1csc(C[N@@H+]2CCC[C@H](OCc3ccccc3F)C2)n1 ZINC000356401519 457607185 /nfs/dbraw/zinc/60/71/85/457607185.db2.gz WUICVVQVZKEKDV-HNNXBMFYSA-N 1 2 331.416 3.335 20 30 EGEDLO C=CC[C@H](CO)CNc1cc[nH+]c2c(Br)ccc(F)c12 ZINC000409725800 457614574 /nfs/dbraw/zinc/61/45/74/457614574.db2.gz DRFICMNUHINCOY-JTQLQIEISA-N 1 2 339.208 3.155 20 30 EGEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000411190771 457825663 /nfs/dbraw/zinc/82/56/63/457825663.db2.gz VCZWLUNRCKEAPT-KXBFYZLASA-N 1 2 331.435 3.257 20 30 EGEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000411190771 457825670 /nfs/dbraw/zinc/82/56/70/457825670.db2.gz VCZWLUNRCKEAPT-KXBFYZLASA-N 1 2 331.435 3.257 20 30 EGEDLO Cc1cc(N)nc(SCC#Cc2ccc(OC(F)(F)F)cc2)[nH+]1 ZINC000433392290 457828286 /nfs/dbraw/zinc/82/82/86/457828286.db2.gz VOEYSIQDFBJSTM-UHFFFAOYSA-N 1 2 339.342 3.240 20 30 EGEDLO Cc1ccc2[nH+]c(CN3CCO[C@@H](c4cccc(C#N)c4)C3)cn2c1 ZINC000371291173 457851916 /nfs/dbraw/zinc/85/19/16/457851916.db2.gz IEXFRIFMRRPSCG-LJQANCHMSA-N 1 2 332.407 3.088 20 30 EGEDLO C=CCCC[N@@H+]1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000361964755 457981819 /nfs/dbraw/zinc/98/18/19/457981819.db2.gz BZJMSDJGDWFKJL-AWEZNQCLSA-N 1 2 328.334 3.024 20 30 EGEDLO C=CCCC[N@H+]1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000361964755 457981825 /nfs/dbraw/zinc/98/18/25/457981825.db2.gz BZJMSDJGDWFKJL-AWEZNQCLSA-N 1 2 328.334 3.024 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)NCc1ccccc1 ZINC000371781502 458071687 /nfs/dbraw/zinc/07/16/87/458071687.db2.gz KYJXJCZRZWANHQ-VQTJNVASSA-N 1 2 333.435 3.075 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)NCc1ccccc1 ZINC000371781502 458071690 /nfs/dbraw/zinc/07/16/90/458071690.db2.gz KYJXJCZRZWANHQ-VQTJNVASSA-N 1 2 333.435 3.075 20 30 EGEDLO COc1ccc(C#N)cc1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000372345303 458284590 /nfs/dbraw/zinc/28/45/90/458284590.db2.gz JMGPAYFJXAOLPQ-HXUWFJFHSA-N 1 2 333.391 3.012 20 30 EGEDLO COc1ccc(C#N)cc1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000372345303 458284595 /nfs/dbraw/zinc/28/45/95/458284595.db2.gz JMGPAYFJXAOLPQ-HXUWFJFHSA-N 1 2 333.391 3.012 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447830486 458350133 /nfs/dbraw/zinc/35/01/33/458350133.db2.gz VHZDGJNVDGORFP-LRDDRELGSA-N 1 2 349.862 3.286 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447830486 458350137 /nfs/dbraw/zinc/35/01/37/458350137.db2.gz VHZDGJNVDGORFP-LRDDRELGSA-N 1 2 349.862 3.286 20 30 EGEDLO N#C[C@@H]1C[N@@H+](Cc2cnn(CC(F)(F)F)c2)C[C@H]1c1ccccc1 ZINC000430130086 458406915 /nfs/dbraw/zinc/40/69/15/458406915.db2.gz IJAQYBTXGGYOBD-CVEARBPZSA-N 1 2 334.345 3.185 20 30 EGEDLO N#C[C@@H]1C[N@H+](Cc2cnn(CC(F)(F)F)c2)C[C@H]1c1ccccc1 ZINC000430130086 458406920 /nfs/dbraw/zinc/40/69/20/458406920.db2.gz IJAQYBTXGGYOBD-CVEARBPZSA-N 1 2 334.345 3.185 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+](Cc2csc(CC)n2)CC1 ZINC000376953855 458428716 /nfs/dbraw/zinc/42/87/16/458428716.db2.gz HNMVWFORXBICGC-OAHLLOKOSA-N 1 2 335.517 3.342 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@H+](Cc2csc(CC)n2)CC1 ZINC000376953855 458428718 /nfs/dbraw/zinc/42/87/18/458428718.db2.gz HNMVWFORXBICGC-OAHLLOKOSA-N 1 2 335.517 3.342 20 30 EGEDLO N#C[C@H]1[N@H+](CCCc2ccc3c(c2)CCO3)CCC[C@@]12CCCCO2 ZINC000373529337 458521388 /nfs/dbraw/zinc/52/13/88/458521388.db2.gz MUTKYHDZBJJXJH-RTWAWAEBSA-N 1 2 340.467 3.481 20 30 EGEDLO N#C[C@H]1[N@@H+](CCCc2ccc3c(c2)CCO3)CCC[C@@]12CCCCO2 ZINC000373529337 458521396 /nfs/dbraw/zinc/52/13/96/458521396.db2.gz MUTKYHDZBJJXJH-RTWAWAEBSA-N 1 2 340.467 3.481 20 30 EGEDLO C=CC(C)(C)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000455375548 458595953 /nfs/dbraw/zinc/59/59/53/458595953.db2.gz ZKVXPCQMHOFZIR-OAHLLOKOSA-N 1 2 330.407 3.160 20 30 EGEDLO CC(C)(C)c1ccc2c(c1)C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC2 ZINC000511199735 458777578 /nfs/dbraw/zinc/77/75/78/458777578.db2.gz NNKPOXJRVDBBNW-NRFANRHFSA-N 1 2 339.483 3.151 20 30 EGEDLO CC(C)(C)c1ccc2c(c1)C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC2 ZINC000511199735 458777582 /nfs/dbraw/zinc/77/75/82/458777582.db2.gz NNKPOXJRVDBBNW-NRFANRHFSA-N 1 2 339.483 3.151 20 30 EGEDLO Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000464826086 458780485 /nfs/dbraw/zinc/78/04/85/458780485.db2.gz YROILZRVNQWLKW-RTWAWAEBSA-N 1 2 347.462 3.383 20 30 EGEDLO Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000464826086 458780492 /nfs/dbraw/zinc/78/04/92/458780492.db2.gz YROILZRVNQWLKW-RTWAWAEBSA-N 1 2 347.462 3.383 20 30 EGEDLO COc1ccc(Br)c(C[N@H+](C)Cc2ccc(C#N)cn2)c1 ZINC000514735342 458801248 /nfs/dbraw/zinc/80/12/48/458801248.db2.gz CKJVJGVJMAPOHE-UHFFFAOYSA-N 1 2 346.228 3.356 20 30 EGEDLO COc1ccc(Br)c(C[N@@H+](C)Cc2ccc(C#N)cn2)c1 ZINC000514735342 458801255 /nfs/dbraw/zinc/80/12/55/458801255.db2.gz CKJVJGVJMAPOHE-UHFFFAOYSA-N 1 2 346.228 3.356 20 30 EGEDLO C[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000515547757 458810588 /nfs/dbraw/zinc/81/05/88/458810588.db2.gz SJWUXCWTPHXHJI-AWEZNQCLSA-N 1 2 342.393 3.110 20 30 EGEDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000515547757 458810592 /nfs/dbraw/zinc/81/05/92/458810592.db2.gz SJWUXCWTPHXHJI-AWEZNQCLSA-N 1 2 342.393 3.110 20 30 EGEDLO CC1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000530733062 458819464 /nfs/dbraw/zinc/81/94/64/458819464.db2.gz ZTWVNBWUSSEBIF-PEVDHWGLSA-N 1 2 339.483 3.453 20 30 EGEDLO CC1CCC(NC(=O)C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000530733062 458819472 /nfs/dbraw/zinc/81/94/72/458819472.db2.gz ZTWVNBWUSSEBIF-PEVDHWGLSA-N 1 2 339.483 3.453 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000517583026 458831104 /nfs/dbraw/zinc/83/11/04/458831104.db2.gz FVTSZFZPAOZMPK-QAPCUYQASA-N 1 2 327.453 3.236 20 30 EGEDLO N#C[C@@H]1C[N@H+](CC2Cc3ccccc3C2)CCN1Cc1ccccc1 ZINC000548711798 458873172 /nfs/dbraw/zinc/87/31/72/458873172.db2.gz JORVGOPGRXSJRU-JOCHJYFZSA-N 1 2 331.463 3.111 20 30 EGEDLO N#C[C@@H]1C[N@@H+](CC2Cc3ccccc3C2)CCN1Cc1ccccc1 ZINC000548711798 458873174 /nfs/dbraw/zinc/87/31/74/458873174.db2.gz JORVGOPGRXSJRU-JOCHJYFZSA-N 1 2 331.463 3.111 20 30 EGEDLO COc1cccc(OC(F)(F)F)c1C[NH2+]C[C@H](C#N)CCC#N ZINC000551943261 458890512 /nfs/dbraw/zinc/89/05/12/458890512.db2.gz XZTCAYQTKHUDMD-NSHDSACASA-N 1 2 327.306 3.127 20 30 EGEDLO C#CCCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccnc1 ZINC000495776324 458948742 /nfs/dbraw/zinc/94/87/42/458948742.db2.gz GFDLXWTXGIUYRK-QGZVFWFLSA-N 1 2 329.444 3.089 20 30 EGEDLO C#CCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccnc1 ZINC000495776324 458948748 /nfs/dbraw/zinc/94/87/48/458948748.db2.gz GFDLXWTXGIUYRK-QGZVFWFLSA-N 1 2 329.444 3.089 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)c2[nH+]ccn21 ZINC000577342732 459018481 /nfs/dbraw/zinc/01/84/81/459018481.db2.gz CILIHIWGXXHOGB-JOYOIKCWSA-N 1 2 347.325 3.184 20 30 EGEDLO C=C1CC[NH+](CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)CC1 ZINC000532553199 459109417 /nfs/dbraw/zinc/10/94/17/459109417.db2.gz JRXOMIUKUFQYTJ-UHFFFAOYSA-N 1 2 336.439 3.340 20 30 EGEDLO N#CCC[C@H](NC(=O)NCCCCn1cc[nH+]c1)c1ccccc1 ZINC000532654549 459124652 /nfs/dbraw/zinc/12/46/52/459124652.db2.gz HXFLNKNTUTWHFU-KRWDZBQOSA-N 1 2 325.416 3.008 20 30 EGEDLO COC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CCc1ccc(C#N)cc1 ZINC000594710229 459136305 /nfs/dbraw/zinc/13/63/05/459136305.db2.gz JREUPTVQHWZMKG-SFHVURJKSA-N 1 2 342.826 3.128 20 30 EGEDLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000532999970 459173189 /nfs/dbraw/zinc/17/31/89/459173189.db2.gz NKFRTXCLFKHRJI-HIFRSBDPSA-N 1 2 327.346 3.436 20 30 EGEDLO CC[C@H]1CO[C@H](C)C[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000532999970 459173193 /nfs/dbraw/zinc/17/31/93/459173193.db2.gz NKFRTXCLFKHRJI-HIFRSBDPSA-N 1 2 327.346 3.436 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000533081212 459186392 /nfs/dbraw/zinc/18/63/92/459186392.db2.gz ZMUTWOUTTUDVLF-FQEVSTJZSA-N 1 2 343.446 3.359 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)C[C@H](CC#N)c2ccccc2)CC1(C)C ZINC000580756227 459264438 /nfs/dbraw/zinc/26/44/38/459264438.db2.gz JRSPFNGYUXXQCZ-WMZOPIPTSA-N 1 2 336.439 3.417 20 30 EGEDLO COc1c(C)[nH+]c(C2CC2)nc1N1CCC(C#N)(c2ccccn2)CC1 ZINC000581022110 459267695 /nfs/dbraw/zinc/26/76/95/459267695.db2.gz LJOZOBAYVDQTOR-UHFFFAOYSA-N 1 2 349.438 3.128 20 30 EGEDLO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)Cc1n[nH]c(=O)o1 ZINC000595547405 459343281 /nfs/dbraw/zinc/34/32/81/459343281.db2.gz NSLWEAKHOJNIDQ-UHFFFAOYSA-N 1 2 348.406 3.107 20 30 EGEDLO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)Cc1n[nH]c(=O)o1 ZINC000595547405 459343286 /nfs/dbraw/zinc/34/32/86/459343286.db2.gz NSLWEAKHOJNIDQ-UHFFFAOYSA-N 1 2 348.406 3.107 20 30 EGEDLO CC(C)(C)c1ccc(OC[C@H](O)C[N@H+](CC#N)C2CCCC2)cc1 ZINC000524596610 459373983 /nfs/dbraw/zinc/37/39/83/459373983.db2.gz LTXHHRSTUVOBAI-GOSISDBHSA-N 1 2 330.472 3.492 20 30 EGEDLO CC(C)(C)c1ccc(OC[C@H](O)C[N@@H+](CC#N)C2CCCC2)cc1 ZINC000524596610 459373988 /nfs/dbraw/zinc/37/39/88/459373988.db2.gz LTXHHRSTUVOBAI-GOSISDBHSA-N 1 2 330.472 3.492 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCc1ccc(C)cc1)Cc1ccccc1F ZINC000524590897 459374014 /nfs/dbraw/zinc/37/40/14/459374014.db2.gz VLEIFMXBOVNHQB-UHFFFAOYSA-N 1 2 326.415 3.439 20 30 EGEDLO C=CC[N@H+](CC(=O)NCc1ccc(C)cc1)Cc1ccccc1F ZINC000524590897 459374019 /nfs/dbraw/zinc/37/40/19/459374019.db2.gz VLEIFMXBOVNHQB-UHFFFAOYSA-N 1 2 326.415 3.439 20 30 EGEDLO N#CCCOCC[NH+]1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000595660696 459387483 /nfs/dbraw/zinc/38/74/83/459387483.db2.gz UQVVIMWDDJTXPI-UHFFFAOYSA-N 1 2 328.243 3.046 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000582734042 459419098 /nfs/dbraw/zinc/41/90/98/459419098.db2.gz QQMYFGXYIWXKTI-VIFPVBQESA-N 1 2 331.750 3.162 20 30 EGEDLO Cc1cc(C)cc(OCc2noc(C[NH+]3CCC(CC#N)CC3)n2)c1 ZINC000541021914 459419506 /nfs/dbraw/zinc/41/95/06/459419506.db2.gz UMJYDJGFACWUKL-UHFFFAOYSA-N 1 2 340.427 3.391 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@@H](c2ccc(CC)cc2)C1 ZINC000484577989 459421292 /nfs/dbraw/zinc/42/12/92/459421292.db2.gz VGUVPCPDZGTWRZ-LJQANCHMSA-N 1 2 330.472 3.047 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@@H](c2ccc(CC)cc2)C1 ZINC000484577989 459421295 /nfs/dbraw/zinc/42/12/95/459421295.db2.gz VGUVPCPDZGTWRZ-LJQANCHMSA-N 1 2 330.472 3.047 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000591853042 459455618 /nfs/dbraw/zinc/45/56/18/459455618.db2.gz LIOLWSGFGZFJPM-SUMWQHHRSA-N 1 2 337.427 3.145 20 30 EGEDLO CC[C@@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1nc(C)cs1 ZINC000541626904 459475252 /nfs/dbraw/zinc/47/52/52/459475252.db2.gz IKACBDVBEFCIJD-OAHLLOKOSA-N 1 2 329.425 3.351 20 30 EGEDLO N#Cc1ccccc1OCC[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000541703680 459480872 /nfs/dbraw/zinc/48/08/72/459480872.db2.gz MIPRAKSSUIVSMT-HXUWFJFHSA-N 1 2 336.435 3.271 20 30 EGEDLO N#Cc1ccccc1OCC[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000541703680 459480882 /nfs/dbraw/zinc/48/08/82/459480882.db2.gz MIPRAKSSUIVSMT-HXUWFJFHSA-N 1 2 336.435 3.271 20 30 EGEDLO Cc1ccc([C@H](CNc2nc(C#N)ccc2C)[NH+]2CCOCC2)cc1 ZINC000596085210 459514689 /nfs/dbraw/zinc/51/46/89/459514689.db2.gz JJYZAXBVDLIYMT-IBGZPJMESA-N 1 2 336.439 3.056 20 30 EGEDLO Cn1c[nH+]cc1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000562294206 459532042 /nfs/dbraw/zinc/53/20/42/459532042.db2.gz XGRWPMDUYLTNFJ-UHFFFAOYSA-N 1 2 332.363 3.265 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149638 459537202 /nfs/dbraw/zinc/53/72/02/459537202.db2.gz SPSIJFPYKSKFMM-KKSFZXQISA-N 1 2 349.434 3.031 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149638 459537206 /nfs/dbraw/zinc/53/72/06/459537206.db2.gz SPSIJFPYKSKFMM-KKSFZXQISA-N 1 2 349.434 3.031 20 30 EGEDLO C=CCn1cccc1C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000488549350 459545274 /nfs/dbraw/zinc/54/52/74/459545274.db2.gz NWBLERUVPWZMSM-UHFFFAOYSA-N 1 2 343.858 3.286 20 30 EGEDLO Cc1ccc(C#N)nc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000596169822 459546921 /nfs/dbraw/zinc/54/69/21/459546921.db2.gz WKSHOBFFNPLPJF-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000489412792 459564099 /nfs/dbraw/zinc/56/40/99/459564099.db2.gz XGDYUHGACLCQCT-AEFFLSMTSA-N 1 2 341.480 3.389 20 30 EGEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000489412792 459564103 /nfs/dbraw/zinc/56/41/03/459564103.db2.gz XGDYUHGACLCQCT-AEFFLSMTSA-N 1 2 341.480 3.389 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)nc1 ZINC000562450871 459564681 /nfs/dbraw/zinc/56/46/81/459564681.db2.gz WTKUNKFNCOPDNQ-UHFFFAOYSA-N 1 2 340.858 3.315 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)nc1 ZINC000562450871 459564686 /nfs/dbraw/zinc/56/46/86/459564686.db2.gz WTKUNKFNCOPDNQ-UHFFFAOYSA-N 1 2 340.858 3.315 20 30 EGEDLO C=CCn1c(SCc2c[nH+]cn2C)nnc1-c1ccc(C)cc1 ZINC000489664138 459569512 /nfs/dbraw/zinc/56/95/12/459569512.db2.gz VRMDBUKPDPCMEY-UHFFFAOYSA-N 1 2 325.441 3.465 20 30 EGEDLO C#CC[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)[C@H]1CCc2ccccc21 ZINC000490842008 459588312 /nfs/dbraw/zinc/58/83/12/459588312.db2.gz XUQCIIULEJYNGV-FQEVSTJZSA-N 1 2 339.460 3.213 20 30 EGEDLO C#CC[N@H+](Cc1ccc(S(C)(=O)=O)cc1)[C@H]1CCc2ccccc21 ZINC000490842008 459588315 /nfs/dbraw/zinc/58/83/15/459588315.db2.gz XUQCIIULEJYNGV-FQEVSTJZSA-N 1 2 339.460 3.213 20 30 EGEDLO N#Cc1ccc2nc(NCc3ccc[nH+]c3N3CCCC3)ccc2c1 ZINC000596356544 459606666 /nfs/dbraw/zinc/60/66/66/459606666.db2.gz JIAIGRVMXOLASA-UHFFFAOYSA-N 1 2 329.407 3.136 20 30 EGEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000491465800 459629707 /nfs/dbraw/zinc/62/97/07/459629707.db2.gz YHESZERVTCVHCU-CQSZACIVSA-N 1 2 327.453 3.086 20 30 EGEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000491465800 459629713 /nfs/dbraw/zinc/62/97/13/459629713.db2.gz YHESZERVTCVHCU-CQSZACIVSA-N 1 2 327.453 3.086 20 30 EGEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000491657738 459648404 /nfs/dbraw/zinc/64/84/04/459648404.db2.gz KQMXABXIXJOFIN-OAHLLOKOSA-N 1 2 339.464 3.266 20 30 EGEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000491657738 459648408 /nfs/dbraw/zinc/64/84/08/459648408.db2.gz KQMXABXIXJOFIN-OAHLLOKOSA-N 1 2 339.464 3.266 20 30 EGEDLO C#C[C@@H](NC(=O)NCc1[nH+]ccn1CC(C)C)c1ccc(Cl)cc1 ZINC000491809758 459677571 /nfs/dbraw/zinc/67/75/71/459677571.db2.gz YRZZKIFFPPIXPM-MRXNPFEDSA-N 1 2 344.846 3.366 20 30 EGEDLO C[C@@H](NC(=O)/C=C\c1cn(CCC#N)c2ccccc12)c1[nH]cc[nH+]1 ZINC000492799831 459721635 /nfs/dbraw/zinc/72/16/35/459721635.db2.gz WTPMDVQAPWDQOC-WBTMPAOCSA-N 1 2 333.395 3.169 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000596737497 459746796 /nfs/dbraw/zinc/74/67/96/459746796.db2.gz ZYCAPYMXZRVZTQ-GFCCVEGCSA-N 1 2 329.429 3.325 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000596737497 459746800 /nfs/dbraw/zinc/74/68/00/459746800.db2.gz ZYCAPYMXZRVZTQ-GFCCVEGCSA-N 1 2 329.429 3.325 20 30 EGEDLO COCc1csc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c1 ZINC000596985145 459811776 /nfs/dbraw/zinc/81/17/76/459811776.db2.gz PLLOLSOTTQCWLW-LJQANCHMSA-N 1 2 341.480 3.277 20 30 EGEDLO N#CCCN(Cc1ccco1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000597025168 459820342 /nfs/dbraw/zinc/82/03/42/459820342.db2.gz XVBNXZHZPBVSDU-SFHVURJKSA-N 1 2 348.406 3.467 20 30 EGEDLO C[N@H+](CC(=O)Nc1ccc(Cl)c(F)c1)Cc1cccc(C#N)c1 ZINC000586474769 459859458 /nfs/dbraw/zinc/85/94/58/459859458.db2.gz FDTLQAXWOQMKOH-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO C[N@@H+](CC(=O)Nc1ccc(Cl)c(F)c1)Cc1cccc(C#N)c1 ZINC000586474769 459859468 /nfs/dbraw/zinc/85/94/68/459859468.db2.gz FDTLQAXWOQMKOH-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@H]3C3CCCC3)CC2)cc1 ZINC000593389112 459875389 /nfs/dbraw/zinc/87/53/89/459875389.db2.gz OABDBWLDVNFXGT-PMACEKPBSA-N 1 2 337.467 3.029 20 30 EGEDLO CC[C@@H](C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000593462511 459896612 /nfs/dbraw/zinc/89/66/12/459896612.db2.gz VLUWUBYVFUMJLE-SWLSCSKDSA-N 1 2 337.826 3.109 20 30 EGEDLO CC[C@@H](C#N)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000593462511 459896616 /nfs/dbraw/zinc/89/66/16/459896616.db2.gz VLUWUBYVFUMJLE-SWLSCSKDSA-N 1 2 337.826 3.109 20 30 EGEDLO Cc1cn2ccc(NC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)cc2[nH+]1 ZINC000598468267 459904812 /nfs/dbraw/zinc/90/48/12/459904812.db2.gz FOTFOKIMRBWCMA-SFHVURJKSA-N 1 2 345.406 3.122 20 30 EGEDLO CC(C)[N@@H+](Cc1cccc(C#N)n1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000602444213 459941318 /nfs/dbraw/zinc/94/13/18/459941318.db2.gz ZAOOQWWPYIAMIK-UHFFFAOYSA-N 1 2 333.395 3.013 20 30 EGEDLO CC(C)[N@H+](Cc1cccc(C#N)n1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000602444213 459941323 /nfs/dbraw/zinc/94/13/23/459941323.db2.gz ZAOOQWWPYIAMIK-UHFFFAOYSA-N 1 2 333.395 3.013 20 30 EGEDLO C=C(C)Cn1c(-c2sccc2C)nnc1N1CCn2cc[nH+]c2C1 ZINC000575226623 459952939 /nfs/dbraw/zinc/95/29/39/459952939.db2.gz FAKBULOQLCXQMH-UHFFFAOYSA-N 1 2 340.456 3.108 20 30 EGEDLO COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)[N@H+](C)C[C@H](C)CCC#N ZINC000602482690 459961668 /nfs/dbraw/zinc/96/16/68/459961668.db2.gz PYFKJLHPGVOEGW-MEBBXXQBSA-N 1 2 328.334 3.190 20 30 EGEDLO COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)[N@@H+](C)C[C@H](C)CCC#N ZINC000602482690 459961674 /nfs/dbraw/zinc/96/16/74/459961674.db2.gz PYFKJLHPGVOEGW-MEBBXXQBSA-N 1 2 328.334 3.190 20 30 EGEDLO Cc1cccn2cc(CC(=O)N[C@H](C#N)c3ccccc3Cl)[nH+]c12 ZINC000609594269 459990797 /nfs/dbraw/zinc/99/07/97/459990797.db2.gz QGGHNUXJCJBILK-MRXNPFEDSA-N 1 2 338.798 3.220 20 30 EGEDLO N#Cc1ccc(Cl)c(C(=O)NCc2ccc[nH+]c2N2CCCC2)c1 ZINC000597943400 460121374 /nfs/dbraw/zinc/12/13/74/460121374.db2.gz KLKVTIVVVJUCFV-UHFFFAOYSA-N 1 2 340.814 3.137 20 30 EGEDLO CC(=O)N(c1nc(C[NH2+][C@H](C)c2cccc(C#N)c2)cs1)C1CC1 ZINC000610344859 460127470 /nfs/dbraw/zinc/12/74/70/460127470.db2.gz JKDVRBIFWLIWCD-GFCCVEGCSA-N 1 2 340.452 3.381 20 30 EGEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(C#N)cc1C ZINC000614400664 460128335 /nfs/dbraw/zinc/12/83/35/460128335.db2.gz CFSCHILXBGVGMA-FQEVSTJZSA-N 1 2 336.435 3.473 20 30 EGEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000614400664 460128341 /nfs/dbraw/zinc/12/83/41/460128341.db2.gz CFSCHILXBGVGMA-FQEVSTJZSA-N 1 2 336.435 3.473 20 30 EGEDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1CC1(CC#N)CC1 ZINC000602793727 460128934 /nfs/dbraw/zinc/12/89/34/460128934.db2.gz JXEFLFXXEMRTSM-INIZCTEOSA-N 1 2 327.428 3.100 20 30 EGEDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1CC1(CC#N)CC1 ZINC000602793727 460128937 /nfs/dbraw/zinc/12/89/37/460128937.db2.gz JXEFLFXXEMRTSM-INIZCTEOSA-N 1 2 327.428 3.100 20 30 EGEDLO Cc1nc(NC(=O)C[NH2+][C@@H](C)CC#N)sc1Cc1ccc(C)cc1 ZINC000602869919 460165949 /nfs/dbraw/zinc/16/59/49/460165949.db2.gz QPGMTPBBAUEUKZ-ZDUSSCGKSA-N 1 2 342.468 3.181 20 30 EGEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000602870727 460166546 /nfs/dbraw/zinc/16/65/46/460166546.db2.gz WBVMRQSRYRAPNO-LBPRGKRZSA-N 1 2 331.803 3.108 20 30 EGEDLO Cc1cccc2[nH+]c(CNC(=O)[C@@H](C)Cc3ccc(C#N)cc3)cn21 ZINC000594286786 460180778 /nfs/dbraw/zinc/18/07/78/460180778.db2.gz XALBSNUQIYLHKI-AWEZNQCLSA-N 1 2 332.407 3.009 20 30 EGEDLO Cc1ccn2cc(CNC(=O)N[C@H]3CCc4cc(C#N)ccc43)[nH+]c2c1 ZINC000618807218 460183913 /nfs/dbraw/zinc/18/39/13/460183913.db2.gz WFZYNFFHSXYSIG-SFHVURJKSA-N 1 2 345.406 3.001 20 30 EGEDLO Cc1cccc2[nH+]c(CNC(=O)N[C@@H]3CCc4cc(C#N)ccc43)cn21 ZINC000618812499 460185147 /nfs/dbraw/zinc/18/51/47/460185147.db2.gz QPUYDHIJGQAMTQ-GOSISDBHSA-N 1 2 345.406 3.001 20 30 EGEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)C[C@H]1n1cc[nH+]c1 ZINC000618848641 460196063 /nfs/dbraw/zinc/19/60/63/460196063.db2.gz KTESUAGKSXCRPV-NIKGAXFTSA-N 1 2 349.438 3.035 20 30 EGEDLO Cc1cccn2cc(CN3CCN([C@@H](C#N)c4ccccc4)CC3)[nH+]c12 ZINC000610675763 460213496 /nfs/dbraw/zinc/21/34/96/460213496.db2.gz HJCIXNHPADIJDE-FQEVSTJZSA-N 1 2 345.450 3.025 20 30 EGEDLO COCC[N@H+](CC(=O)OC(C)(C)C)Cc1ccccc1C(C)(C)C#N ZINC000610859419 460249838 /nfs/dbraw/zinc/24/98/38/460249838.db2.gz GDUHUPVXLGBFLX-UHFFFAOYSA-N 1 2 346.471 3.278 20 30 EGEDLO COCC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccccc1C(C)(C)C#N ZINC000610859419 460249846 /nfs/dbraw/zinc/24/98/46/460249846.db2.gz GDUHUPVXLGBFLX-UHFFFAOYSA-N 1 2 346.471 3.278 20 30 EGEDLO Cc1cccn2cc(CCNC(=O)Nc3cccc(C#N)c3C)[nH+]c12 ZINC000610905876 460259142 /nfs/dbraw/zinc/25/91/42/460259142.db2.gz HAPIHNRXYWOCMQ-UHFFFAOYSA-N 1 2 333.395 3.187 20 30 EGEDLO COCc1cc(C#N)ccc1N1CC[NH+]([C@@H](C)c2nccs2)CC1 ZINC000603341511 460287336 /nfs/dbraw/zinc/28/73/36/460287336.db2.gz DZXVUFMCJHLOBQ-AWEZNQCLSA-N 1 2 342.468 3.044 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000611177142 460301648 /nfs/dbraw/zinc/30/16/48/460301648.db2.gz ZAPYYMYFSONESP-ONGXEEELSA-N 1 2 345.752 3.423 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000611177142 460301652 /nfs/dbraw/zinc/30/16/52/460301652.db2.gz ZAPYYMYFSONESP-ONGXEEELSA-N 1 2 345.752 3.423 20 30 EGEDLO Cc1cc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)ccc1F ZINC000611260339 460320778 /nfs/dbraw/zinc/32/07/78/460320778.db2.gz TXMFVLZXAZDOKF-UHFFFAOYSA-N 1 2 340.402 3.193 20 30 EGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611268872 460323038 /nfs/dbraw/zinc/32/30/38/460323038.db2.gz ZAIVPNBLSRFDSR-UHFFFAOYSA-N 1 2 333.388 3.128 20 30 EGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611268872 460323040 /nfs/dbraw/zinc/32/30/40/460323040.db2.gz ZAIVPNBLSRFDSR-UHFFFAOYSA-N 1 2 333.388 3.128 20 30 EGEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1)C1CC1 ZINC000603855242 460349676 /nfs/dbraw/zinc/34/96/76/460349676.db2.gz JHMVBNMAERSGEP-FUHWJXTLSA-N 1 2 331.847 3.285 20 30 EGEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H]1c1cccc(Cl)c1)C1CC1 ZINC000603855242 460349679 /nfs/dbraw/zinc/34/96/79/460349679.db2.gz JHMVBNMAERSGEP-FUHWJXTLSA-N 1 2 331.847 3.285 20 30 EGEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(C#N)c1 ZINC000611386868 460350655 /nfs/dbraw/zinc/35/06/55/460350655.db2.gz WVQSLFRVPOQXGZ-ZDUSSCGKSA-N 1 2 329.363 3.331 20 30 EGEDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000611555322 460397098 /nfs/dbraw/zinc/39/70/98/460397098.db2.gz WWTAORNTHVMTMK-GXSJLCMTSA-N 1 2 331.363 3.221 20 30 EGEDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CC(=O)Nc1sccc1C#N ZINC000611555322 460397104 /nfs/dbraw/zinc/39/71/04/460397104.db2.gz WWTAORNTHVMTMK-GXSJLCMTSA-N 1 2 331.363 3.221 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc(C4CC4)o3)CC2)c(Cl)c1 ZINC000600155160 460410784 /nfs/dbraw/zinc/41/07/84/460410784.db2.gz DMFWYBDMTQYQOM-UHFFFAOYSA-N 1 2 342.830 3.399 20 30 EGEDLO C=C[C@@H]([NH2+][C@@H](C)CCc1ccc(Br)cc1)C(=O)OC ZINC000619700729 460418850 /nfs/dbraw/zinc/41/88/50/460418850.db2.gz JIEYQJRDFDRUSZ-SMDDNHRTSA-N 1 2 326.234 3.087 20 30 EGEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000619721300 460422082 /nfs/dbraw/zinc/42/20/82/460422082.db2.gz SCDPPUPQOWOKHT-HNNXBMFYSA-N 1 2 336.229 3.266 20 30 EGEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000619721300 460422085 /nfs/dbraw/zinc/42/20/85/460422085.db2.gz SCDPPUPQOWOKHT-HNNXBMFYSA-N 1 2 336.229 3.266 20 30 EGEDLO N#Cc1ccc(C[N@H+](Cc2nc(-c3ccccn3)no2)C2CC2)cc1 ZINC000604501239 460435673 /nfs/dbraw/zinc/43/56/73/460435673.db2.gz DWIXIUCCZSBKNH-UHFFFAOYSA-N 1 2 331.379 3.168 20 30 EGEDLO N#Cc1ccc(C[N@@H+](Cc2nc(-c3ccccn3)no2)C2CC2)cc1 ZINC000604501239 460435679 /nfs/dbraw/zinc/43/56/79/460435679.db2.gz DWIXIUCCZSBKNH-UHFFFAOYSA-N 1 2 331.379 3.168 20 30 EGEDLO N#Cc1cccc(Oc2ccc(NC(=O)CCCn3cc[nH+]c3)cn2)c1 ZINC000604528447 460441100 /nfs/dbraw/zinc/44/11/00/460441100.db2.gz MTAIKDNRECCPHQ-UHFFFAOYSA-N 1 2 347.378 3.361 20 30 EGEDLO C=CC[C@@H]1CCCN(C(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)C1 ZINC000617779487 460974554 /nfs/dbraw/zinc/97/45/54/460974554.db2.gz BLUMUGMUWFWLHG-CYBMUJFWSA-N 1 2 333.382 3.438 20 30 EGEDLO C=CCCn1cc(C[N@@H+]2CCc3cc(OCCC)ccc3C2)nn1 ZINC000653586779 461741982 /nfs/dbraw/zinc/74/19/82/461741982.db2.gz ASHQHMBJYLNXOG-UHFFFAOYSA-N 1 2 326.444 3.201 20 30 EGEDLO C=CCCn1cc(C[N@H+]2CCc3cc(OCCC)ccc3C2)nn1 ZINC000653586779 461741990 /nfs/dbraw/zinc/74/19/90/461741990.db2.gz ASHQHMBJYLNXOG-UHFFFAOYSA-N 1 2 326.444 3.201 20 30 EGEDLO C=CCC(C)(C)c1noc(-c2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000645628965 462381982 /nfs/dbraw/zinc/38/19/82/462381982.db2.gz OUEMBVVYLZMFAU-UHFFFAOYSA-N 1 2 327.428 3.423 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000662055864 462514585 /nfs/dbraw/zinc/51/45/85/462514585.db2.gz NVSXDSKENALDEE-AWEZNQCLSA-N 1 2 345.270 3.041 20 30 EGEDLO C#CCCCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000154459990 526703348 /nfs/dbraw/zinc/70/33/48/526703348.db2.gz ZEOZXWQNLWUITG-OALUTQOASA-N 1 2 336.439 3.214 20 30 EGEDLO C=CCC[C@H](C(=O)N1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000187824575 527461796 /nfs/dbraw/zinc/46/17/96/527461796.db2.gz STCYZSTYDGICPH-NRFANRHFSA-N 1 2 349.478 3.476 20 30 EGEDLO CCOCCCn1c2ccccc2[nH+]c1NCc1cc(C#N)n(C)c1 ZINC000191557899 528701717 /nfs/dbraw/zinc/70/17/17/528701717.db2.gz YOWUAVHMUOGYTM-UHFFFAOYSA-N 1 2 337.427 3.285 20 30 EGEDLO CCOc1ccccc1C[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000172169708 535502540 /nfs/dbraw/zinc/50/25/40/535502540.db2.gz IDLKTWLOZONWCH-UHFFFAOYSA-N 1 2 329.425 3.089 20 30 EGEDLO CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000172169708 535502544 /nfs/dbraw/zinc/50/25/44/535502544.db2.gz IDLKTWLOZONWCH-UHFFFAOYSA-N 1 2 329.425 3.089 20 30 EGEDLO COC(=O)C[C@](C)([NH2+]Cc1ccc(Cl)cc1C#N)c1ccccn1 ZINC000351824448 536360171 /nfs/dbraw/zinc/36/01/71/536360171.db2.gz RAQZSXRQKFSWSF-SFHVURJKSA-N 1 2 343.814 3.175 20 30 EGEDLO C=CCN(CCc1ccco1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000679374257 549699388 /nfs/dbraw/zinc/69/93/88/549699388.db2.gz ZBJCLAYQTAQDPA-UHFFFAOYSA-N 1 2 339.439 3.036 20 30 EGEDLO CN(C)c1ccc(CNC(=S)Nc2ccc(C#N)c(Cl)c2)c[nH+]1 ZINC000726457014 574556604 /nfs/dbraw/zinc/55/66/04/574556604.db2.gz NCXYLTMGIHXXNR-UHFFFAOYSA-N 1 2 345.859 3.159 20 30 EGEDLO CN(CCC#N)c1ccc(C=[NH+]Nc2cnc3ccccc3n2)cc1 ZINC000727256851 574655875 /nfs/dbraw/zinc/65/58/75/574655875.db2.gz WSWUISBZYLDNJT-UHFFFAOYSA-N 1 2 330.395 3.426 20 30 EGEDLO C#Cc1cccc(NC(=S)N[NH+]=C(C)c2ccc(N(C)C)cc2)c1 ZINC000727261952 574657011 /nfs/dbraw/zinc/65/70/11/574657011.db2.gz PXXIQNWJTGNYKS-UHFFFAOYSA-N 1 2 336.464 3.445 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+]2CCC[C@H]2CC)c1=S ZINC000727822676 574691898 /nfs/dbraw/zinc/69/18/98/574691898.db2.gz BARPFSKOJBUIRV-OAHLLOKOSA-N 1 2 329.473 3.494 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2CCC[C@H]2CC)c1=S ZINC000727822676 574691901 /nfs/dbraw/zinc/69/19/01/574691901.db2.gz BARPFSKOJBUIRV-OAHLLOKOSA-N 1 2 329.473 3.494 20 30 EGEDLO COc1cc(C=NNc2cc[nH+]c3ccccc23)cc(OC)c1OC ZINC000730148528 574925838 /nfs/dbraw/zinc/92/58/38/574925838.db2.gz WOEIZHHTQNLIBJ-UHFFFAOYSA-N 1 2 337.379 3.129 20 30 EGEDLO C(=NNc1cc[nH+]c2ccccc12)c1cnn(Cc2ccccc2)c1 ZINC000730148508 574925892 /nfs/dbraw/zinc/92/58/92/574925892.db2.gz VTZJKRHFYLZBMP-UHFFFAOYSA-N 1 2 327.391 3.348 20 30 EGEDLO C#CCOc1ccccc1C[N@H+](C)Cc1nc(-c2cccs2)no1 ZINC000730261092 574963895 /nfs/dbraw/zinc/96/38/95/574963895.db2.gz RNMALDBEHSNLIO-UHFFFAOYSA-N 1 2 339.420 3.442 20 30 EGEDLO C#CCOc1ccccc1C[N@@H+](C)Cc1nc(-c2cccs2)no1 ZINC000730261092 574963896 /nfs/dbraw/zinc/96/38/96/574963896.db2.gz RNMALDBEHSNLIO-UHFFFAOYSA-N 1 2 339.420 3.442 20 30 EGEDLO N#Cc1ccccc1N1CC[NH+](Cn2ccc(-c3cccs3)n2)CC1 ZINC000731660416 575197552 /nfs/dbraw/zinc/19/75/52/575197552.db2.gz WHXWQNZUPPZAIQ-UHFFFAOYSA-N 1 2 349.463 3.263 20 30 EGEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)CCCCC1 ZINC000732986789 575299228 /nfs/dbraw/zinc/29/92/28/575299228.db2.gz NFKPNZHWFGBSHV-KRWDZBQOSA-N 1 2 347.409 3.444 20 30 EGEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)CCCCC1 ZINC000732986789 575299230 /nfs/dbraw/zinc/29/92/30/575299230.db2.gz NFKPNZHWFGBSHV-KRWDZBQOSA-N 1 2 347.409 3.444 20 30 EGEDLO C#CC[NH+]1CCN(C(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC1 ZINC000733162531 575311903 /nfs/dbraw/zinc/31/19/03/575311903.db2.gz QJDQCYAXDUWKOM-UHFFFAOYSA-N 1 2 338.382 3.009 20 30 EGEDLO C=CC[C@@H](NC(=O)NCc1cn2ccc(C)cc2[nH+]1)c1ccncc1 ZINC000734661000 575533605 /nfs/dbraw/zinc/53/36/05/575533605.db2.gz IIMKNIWZICFDGZ-QGZVFWFLSA-N 1 2 335.411 3.154 20 30 EGEDLO CC[N@H+](C)[C@@H](C(=O)OCc1ccc(C#N)cc1F)c1ccccc1 ZINC000741151061 576661234 /nfs/dbraw/zinc/66/12/34/576661234.db2.gz UIDYCRVGPSKCBB-GOSISDBHSA-N 1 2 326.371 3.434 20 30 EGEDLO CC[N@@H+](C)[C@@H](C(=O)OCc1ccc(C#N)cc1F)c1ccccc1 ZINC000741151061 576661235 /nfs/dbraw/zinc/66/12/35/576661235.db2.gz UIDYCRVGPSKCBB-GOSISDBHSA-N 1 2 326.371 3.434 20 30 EGEDLO C=C(C)CNC(=S)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000743034810 576800451 /nfs/dbraw/zinc/80/04/51/576800451.db2.gz KMXJXXAFACZYIQ-UHFFFAOYSA-N 1 2 332.517 3.071 20 30 EGEDLO CC[N@H+](C)[C@H](C(=O)OCc1cc(C#N)ccc1F)c1ccccc1 ZINC000745101683 576841255 /nfs/dbraw/zinc/84/12/55/576841255.db2.gz RYKXXVPYNQXYPS-SFHVURJKSA-N 1 2 326.371 3.434 20 30 EGEDLO CC[N@@H+](C)[C@H](C(=O)OCc1cc(C#N)ccc1F)c1ccccc1 ZINC000745101683 576841256 /nfs/dbraw/zinc/84/12/56/576841256.db2.gz RYKXXVPYNQXYPS-SFHVURJKSA-N 1 2 326.371 3.434 20 30 EGEDLO C#CC[N@@H+](CC(=O)Nc1ccc(OC)cc1)[C@@H]1CCc2ccccc21 ZINC000052845750 1291712749 /nfs/dbraw/zinc/71/27/49/1291712749.db2.gz MXAYKNOVQSVICC-HXUWFJFHSA-N 1 2 334.419 3.256 20 30 EGEDLO C#CC[N@H+](CC(=O)Nc1ccc(OC)cc1)[C@@H]1CCc2ccccc21 ZINC000052845750 1291712752 /nfs/dbraw/zinc/71/27/52/1291712752.db2.gz MXAYKNOVQSVICC-HXUWFJFHSA-N 1 2 334.419 3.256 20 30 EGEDLO CSc1ccccc1NC(=O)[C@@H](C)O[NH+]=C(N)Cc1ccccc1 ZINC000072001876 1292272746 /nfs/dbraw/zinc/27/27/46/1292272746.db2.gz IAYIXKKPRKASES-CYBMUJFWSA-N 1 2 343.452 3.267 20 30 EGEDLO Cc1cccc(C)c1NC(=O)CO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000106067402 1293047383 /nfs/dbraw/zinc/04/73/83/1293047383.db2.gz PFHRVHZKVLKKRX-UHFFFAOYSA-N 1 2 345.830 3.427 20 30 EGEDLO C=CC1CC[NH+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000111256793 1293101608 /nfs/dbraw/zinc/10/16/08/1293101608.db2.gz SGSTUEOHOATRAW-NSHDSACASA-N 1 2 337.807 3.473 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](CC)CC2CC2)c1=S ZINC000112200263 1293121641 /nfs/dbraw/zinc/12/16/41/1293121641.db2.gz PDJMXRLHEOJGHA-UHFFFAOYSA-N 1 2 329.473 3.351 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](CC)CC2CC2)c1=S ZINC000112200263 1293121645 /nfs/dbraw/zinc/12/16/45/1293121645.db2.gz PDJMXRLHEOJGHA-UHFFFAOYSA-N 1 2 329.473 3.351 20 30 EGEDLO Nc1ccc2c(c1)CCCC2=[NH+]NC(=S)NCCc1cccs1 ZINC000834937090 1293177925 /nfs/dbraw/zinc/17/79/25/1293177925.db2.gz JFBNTVNUKXTGNR-UHFFFAOYSA-N 1 2 344.509 3.078 20 30 EGEDLO CCOC(=O)C(C)(C)ON=C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000835005323 1293185785 /nfs/dbraw/zinc/18/57/85/1293185785.db2.gz XXSXNLPFPNRTAX-UHFFFAOYSA-N 1 2 347.459 3.067 20 30 EGEDLO CC[N@H+](CCS(C)(=O)=O)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000154357267 1294051898 /nfs/dbraw/zinc/05/18/98/1294051898.db2.gz KVDUKGGTPYBZDV-UHFFFAOYSA-N 1 2 342.464 3.092 20 30 EGEDLO CC[N@@H+](CCS(C)(=O)=O)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000154357267 1294051905 /nfs/dbraw/zinc/05/19/05/1294051905.db2.gz KVDUKGGTPYBZDV-UHFFFAOYSA-N 1 2 342.464 3.092 20 30 EGEDLO C=CCn1c(C)nn(C[N@@H+](C)[C@H]2CC[C@H](SCC)C2)c1=S ZINC000173486647 1294463565 /nfs/dbraw/zinc/46/35/65/1294463565.db2.gz FKMKEXYDJIKYBM-KBPBESRZSA-N 1 2 326.535 3.472 20 30 EGEDLO C=CCn1c(C)nn(C[N@H+](C)[C@H]2CC[C@H](SCC)C2)c1=S ZINC000173486647 1294463566 /nfs/dbraw/zinc/46/35/66/1294463566.db2.gz FKMKEXYDJIKYBM-KBPBESRZSA-N 1 2 326.535 3.472 20 30 EGEDLO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000870125359 1295684240 /nfs/dbraw/zinc/68/42/40/1295684240.db2.gz ZMTHUEIISGEMNZ-CQSZACIVSA-N 1 2 325.437 3.139 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2CC[C@@H](C)[C@@H]2C)c1=S ZINC000247192690 1296383800 /nfs/dbraw/zinc/38/38/00/1296383800.db2.gz VUZYTWJNDWFNBE-KGLIPLIRSA-N 1 2 329.473 3.350 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c1=S ZINC000247192690 1296383814 /nfs/dbraw/zinc/38/38/14/1296383814.db2.gz VUZYTWJNDWFNBE-KGLIPLIRSA-N 1 2 329.473 3.350 20 30 EGEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1C[C@@H](Cc2ccccc2)CC1=O ZINC000872562596 1297004966 /nfs/dbraw/zinc/00/49/66/1297004966.db2.gz VSQQAWTUNXJCCL-FQEVSTJZSA-N 1 2 333.435 3.039 20 30 EGEDLO C[N@H+](Cc1cccc(C#N)c1)CN1C[C@@H](Cc2ccccc2)CC1=O ZINC000872562596 1297004980 /nfs/dbraw/zinc/00/49/80/1297004980.db2.gz VSQQAWTUNXJCCL-FQEVSTJZSA-N 1 2 333.435 3.039 20 30 EGEDLO C=CCC1(CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)CCCC1 ZINC000455479088 1297900893 /nfs/dbraw/zinc/90/08/93/1297900893.db2.gz NIKDEINLJIGHER-MRXNPFEDSA-N 1 2 330.476 3.446 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3scnc3C3CC3)CCO2)c1 ZINC000494965150 1297950499 /nfs/dbraw/zinc/95/04/99/1297950499.db2.gz VYMSQKHPMIXCHT-MRXNPFEDSA-N 1 2 325.437 3.466 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3scnc3C3CC3)CCO2)c1 ZINC000494965150 1297950507 /nfs/dbraw/zinc/95/05/07/1297950507.db2.gz VYMSQKHPMIXCHT-MRXNPFEDSA-N 1 2 325.437 3.466 20 30 EGEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CC[C@@H](C)C2)c1=S ZINC000725779590 1298357809 /nfs/dbraw/zinc/35/78/09/1298357809.db2.gz SMRWQLCEJGSLIT-OAHLLOKOSA-N 1 2 328.485 3.490 20 30 EGEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CC[C@@H](C)C2)c1=S ZINC000725779590 1298357822 /nfs/dbraw/zinc/35/78/22/1298357822.db2.gz SMRWQLCEJGSLIT-OAHLLOKOSA-N 1 2 328.485 3.490 20 30 EGEDLO C[C@H](CC1(C#N)CCOCC1)[NH2+]c1ccc(N2CCC(O)CC2)cc1 ZINC000876821407 1299013848 /nfs/dbraw/zinc/01/38/48/1299013848.db2.gz GAFIBWSFTHHOCJ-MRXNPFEDSA-N 1 2 343.471 3.159 20 30 EGEDLO C[C@H](CC1(C#N)CCOCC1)Nc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000876821407 1299013855 /nfs/dbraw/zinc/01/38/55/1299013855.db2.gz GAFIBWSFTHHOCJ-MRXNPFEDSA-N 1 2 343.471 3.159 20 30 EGEDLO Fc1cccc(F)c1-c1ccc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)o1 ZINC000753935370 1300045052 /nfs/dbraw/zinc/04/50/52/1300045052.db2.gz NZGCYFBOEJKXIG-GASCZTMLSA-N 1 2 344.365 3.419 20 30 EGEDLO N#Cc1cccn(C[N@@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1=O ZINC000758224987 1300822469 /nfs/dbraw/zinc/82/24/69/1300822469.db2.gz MLOHUKFWFNYRMG-LJQANCHMSA-N 1 2 332.407 3.386 20 30 EGEDLO N#Cc1cccn(C[N@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1=O ZINC000758224987 1300822484 /nfs/dbraw/zinc/82/24/84/1300822484.db2.gz MLOHUKFWFNYRMG-LJQANCHMSA-N 1 2 332.407 3.386 20 30 EGEDLO C#CC[N@@H+](Cc1nc2ccc(OC)nc2[nH]1)[C@H]1CCc2ccccc21 ZINC000760855474 1301351740 /nfs/dbraw/zinc/35/17/40/1301351740.db2.gz YOAHVQKOCZZVFW-KRWDZBQOSA-N 1 2 332.407 3.089 20 30 EGEDLO C#CC[N@H+](Cc1nc2ccc(OC)nc2[nH]1)[C@H]1CCc2ccccc21 ZINC000760855474 1301351748 /nfs/dbraw/zinc/35/17/48/1301351748.db2.gz YOAHVQKOCZZVFW-KRWDZBQOSA-N 1 2 332.407 3.089 20 30 EGEDLO CC(C)CC1CC[NH+](Cc2nc3ccccc3c(=O)n2CC#N)CC1 ZINC000760924439 1301363595 /nfs/dbraw/zinc/36/35/95/1301363595.db2.gz FOBRXVVWCKGVKZ-UHFFFAOYSA-N 1 2 338.455 3.178 20 30 EGEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@@H](C3CC3)C2)nc1-c1cccnc1 ZINC000763333348 1301880677 /nfs/dbraw/zinc/88/06/77/1301880677.db2.gz QQSMXDRPUWDXOW-MRXNPFEDSA-N 1 2 341.484 3.351 20 30 EGEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@@H](C3CC3)C2)nc1-c1cccnc1 ZINC000763333348 1301880679 /nfs/dbraw/zinc/88/06/79/1301880679.db2.gz QQSMXDRPUWDXOW-MRXNPFEDSA-N 1 2 341.484 3.351 20 30 EGEDLO C#CC[N@@H+](CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000763958415 1301988855 /nfs/dbraw/zinc/98/88/55/1301988855.db2.gz WLYPJLJRMXUTJX-NRFANRHFSA-N 1 2 332.447 3.184 20 30 EGEDLO C#CC[N@H+](CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000763958415 1301988858 /nfs/dbraw/zinc/98/88/58/1301988858.db2.gz WLYPJLJRMXUTJX-NRFANRHFSA-N 1 2 332.447 3.184 20 30 EGEDLO C#C[C@@H](C)N(C)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000767244027 1302616570 /nfs/dbraw/zinc/61/65/70/1302616570.db2.gz KNWPQQDMLWTEEF-CJNGLKHVSA-N 1 2 349.272 3.066 20 30 EGEDLO COc1cc(F)c(C(=O)/C=C/c2cccc3[nH+]ccn32)cc1OC ZINC000769611330 1303147579 /nfs/dbraw/zinc/14/75/79/1303147579.db2.gz YBRWHGLFVJURNI-VOTSOKGWSA-N 1 2 326.327 3.387 20 30 EGEDLO Cc1ccccc1[C@H](CO)[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000886433191 1303465693 /nfs/dbraw/zinc/46/56/93/1303465693.db2.gz BVPBOHKEVDFVSP-SFHVURJKSA-N 1 2 348.406 3.082 20 30 EGEDLO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000886433191 1303465696 /nfs/dbraw/zinc/46/56/96/1303465696.db2.gz BVPBOHKEVDFVSP-SFHVURJKSA-N 1 2 348.406 3.082 20 30 EGEDLO C=CCC1(O)CC[NH+]([C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)CC1 ZINC000886768871 1303591754 /nfs/dbraw/zinc/59/17/54/1303591754.db2.gz KDHDGWQWFYWYTE-LBPRGKRZSA-N 1 2 347.484 3.478 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1csc(-c2ccc(OCC)cc2)n1)[C@H]1CCCO1 ZINC000775785272 1304037382 /nfs/dbraw/zinc/03/73/82/1304037382.db2.gz MWJQUNZGUGUAEU-QZTJIDSGSA-N 1 2 342.464 3.479 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000775930548 1304063171 /nfs/dbraw/zinc/06/31/71/1304063171.db2.gz TUTZECXEDIXETN-GFCCVEGCSA-N 1 2 333.270 3.130 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000775930548 1304063173 /nfs/dbraw/zinc/06/31/73/1304063173.db2.gz TUTZECXEDIXETN-GFCCVEGCSA-N 1 2 333.270 3.130 20 30 EGEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(-c3ccc(C)o3)s2)CC1 ZINC000781613772 1304848428 /nfs/dbraw/zinc/84/84/28/1304848428.db2.gz DFVRFITXORNWKK-UHFFFAOYSA-N 1 2 328.437 3.098 20 30 EGEDLO Cc1cc(CO[NH+]=C(N)c2ccc(Br)cc2)ccc1C#N ZINC000783041395 1305040933 /nfs/dbraw/zinc/04/09/33/1305040933.db2.gz HGURLNRRWABTHN-UHFFFAOYSA-N 1 2 344.212 3.466 20 30 EGEDLO Cc1cc(C(N)=[NH+]OCc2ccn(-c3ccccc3F)n2)ccc1F ZINC000783552886 1305106195 /nfs/dbraw/zinc/10/61/95/1305106195.db2.gz GXWFQFZNZUQDQX-UHFFFAOYSA-N 1 2 342.349 3.296 20 30 EGEDLO C#CCNC(=O)C[NH2+][C@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000783892691 1305158570 /nfs/dbraw/zinc/15/85/70/1305158570.db2.gz KTEMRKCXVJLYBD-GOSISDBHSA-N 1 2 347.245 3.422 20 30 EGEDLO N#Cc1ncc(Br)cc1NCCCNc1cccc[nH+]1 ZINC000787897800 1305820731 /nfs/dbraw/zinc/82/07/31/1305820731.db2.gz SLKNUZZIFMEXCF-UHFFFAOYSA-N 1 2 332.205 3.025 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788246171 1305906274 /nfs/dbraw/zinc/90/62/74/1305906274.db2.gz PTIDZXKCTSVDJK-GDBMZVCRSA-N 1 2 345.487 3.412 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788246171 1305906281 /nfs/dbraw/zinc/90/62/81/1305906281.db2.gz PTIDZXKCTSVDJK-GDBMZVCRSA-N 1 2 345.487 3.412 20 30 EGEDLO C[C@@H]1Cc2ccccc2C[N@@H+]1Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793504292 1309385621 /nfs/dbraw/zinc/38/56/21/1309385621.db2.gz LXTODIGVDHEUDN-OAHLLOKOSA-N 1 2 333.435 3.003 20 30 EGEDLO C[C@@H]1Cc2ccccc2C[N@H+]1Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793504292 1309385631 /nfs/dbraw/zinc/38/56/31/1309385631.db2.gz LXTODIGVDHEUDN-OAHLLOKOSA-N 1 2 333.435 3.003 20 30 EGEDLO Cn1c(CC#N)nn(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)c1=S ZINC000794622066 1309558464 /nfs/dbraw/zinc/55/84/64/1309558464.db2.gz YHVYTIBHWDUBCC-INIZCTEOSA-N 1 2 339.468 3.127 20 30 EGEDLO Cn1c(CC#N)nn(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)c1=S ZINC000794622066 1309558469 /nfs/dbraw/zinc/55/84/69/1309558469.db2.gz YHVYTIBHWDUBCC-INIZCTEOSA-N 1 2 339.468 3.127 20 30 EGEDLO Cn1c[nH+]cc1CN=Nc1ccc(-c2cccc(C(F)(F)F)c2)nn1 ZINC000794981406 1309641122 /nfs/dbraw/zinc/64/11/22/1309641122.db2.gz MLILVTOIVSOBAU-UHFFFAOYSA-N 1 2 346.316 3.342 20 30 EGEDLO N#CCCn1cc(C[N@@H+]2CCn3cccc3C2)c(-c2ccccc2)n1 ZINC000896762190 1310002640 /nfs/dbraw/zinc/00/26/40/1310002640.db2.gz ZOYMLZMGVVYOPH-UHFFFAOYSA-N 1 2 331.423 3.281 20 30 EGEDLO N#CCCn1cc(C[N@H+]2CCn3cccc3C2)c(-c2ccccc2)n1 ZINC000896762190 1310002650 /nfs/dbraw/zinc/00/26/50/1310002650.db2.gz ZOYMLZMGVVYOPH-UHFFFAOYSA-N 1 2 331.423 3.281 20 30 EGEDLO C#CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)Cc1ccccc1 ZINC000796632837 1310051398 /nfs/dbraw/zinc/05/13/98/1310051398.db2.gz OAFNRXLWVYRYQA-KRWDZBQOSA-N 1 2 338.426 3.481 20 30 EGEDLO C#CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)Cc1ccccc1 ZINC000796632837 1310051407 /nfs/dbraw/zinc/05/14/07/1310051407.db2.gz OAFNRXLWVYRYQA-KRWDZBQOSA-N 1 2 338.426 3.481 20 30 EGEDLO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000796705704 1310069054 /nfs/dbraw/zinc/06/90/54/1310069054.db2.gz GLVCEOCXELMGMW-QGZVFWFLSA-N 1 2 333.407 3.186 20 30 EGEDLO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000796705704 1310069058 /nfs/dbraw/zinc/06/90/58/1310069058.db2.gz GLVCEOCXELMGMW-QGZVFWFLSA-N 1 2 333.407 3.186 20 30 EGEDLO Cc1cccc(C)c1C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000798274731 1310332653 /nfs/dbraw/zinc/33/26/53/1310332653.db2.gz JRCPQIFOTWLQFA-NVXWUHKLSA-N 1 2 329.444 3.152 20 30 EGEDLO Cc1cc(Cl)ccc1C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000798275788 1310332961 /nfs/dbraw/zinc/33/29/61/1310332961.db2.gz URHWZIKGIKKWJB-HOCLYGCPSA-N 1 2 349.862 3.497 20 30 EGEDLO Cc1cc(Cl)ccc1C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000798275789 1310333174 /nfs/dbraw/zinc/33/31/74/1310333174.db2.gz URHWZIKGIKKWJB-ZBFHGGJFSA-N 1 2 349.862 3.497 20 30 EGEDLO O=C1C=C([NH2+]Nc2ccccc2OC(F)(F)F)[C@@H]2CCCCN12 ZINC000799485401 1310558950 /nfs/dbraw/zinc/55/89/50/1310558950.db2.gz RRCUXTCXQSOUNV-LBPRGKRZSA-N 1 2 327.306 3.138 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H]([NH2+][C@H](C)c3nc(C(C)C)no3)C2)CC1 ZINC001019327498 1317170447 /nfs/dbraw/zinc/17/04/47/1317170447.db2.gz GUFBMXPGNGBJDV-ZBFHGGJFSA-N 1 2 346.475 3.191 20 30 EGEDLO Cc1ccc(C(=O)/C=C\C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000901038586 1317375278 /nfs/dbraw/zinc/37/52/78/1317375278.db2.gz DJSYCJPQTRGETO-GVWYBQPMSA-N 1 2 337.423 3.040 20 30 EGEDLO CCCCCCCCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000806332676 1317481484 /nfs/dbraw/zinc/48/14/84/1317481484.db2.gz QCQFSQMPDXMXBU-ROUUACIJSA-N 1 2 339.524 3.242 20 30 EGEDLO C#C[C@H](NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)C(C)(C)C ZINC000808315597 1317660125 /nfs/dbraw/zinc/66/01/25/1317660125.db2.gz JTCFRYYVXGDFCW-ZBFHGGJFSA-N 1 2 333.501 3.184 20 30 EGEDLO C#Cc1ccccc1CC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000809943279 1317922118 /nfs/dbraw/zinc/92/21/18/1317922118.db2.gz BCYQTGVRHUYVQU-FLIBITNWSA-N 1 2 344.458 3.068 20 30 EGEDLO CC[C@H](C#N)Oc1cc(CNc2[nH+]cccc2OC)ccc1OC ZINC000858409362 1328755202 /nfs/dbraw/zinc/75/52/02/1328755202.db2.gz KGPOHSUGMQYZLN-CQSZACIVSA-N 1 2 327.384 3.392 20 30 EGEDLO C=CCCCCCCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000811927042 1318290765 /nfs/dbraw/zinc/29/07/65/1318290765.db2.gz IRHKBULEFBOXNU-QZTJIDSGSA-N 1 2 337.508 3.018 20 30 EGEDLO C[C@H](c1c(F)cccc1F)[N@H+](C)C[C@H]1CCCN1C(=O)C#CC1CC1 ZINC000960626380 1318752750 /nfs/dbraw/zinc/75/27/50/1318752750.db2.gz YIYRTEKWZWIZAY-GDBMZVCRSA-N 1 2 346.421 3.362 20 30 EGEDLO C[C@H](c1c(F)cccc1F)[N@@H+](C)C[C@H]1CCCN1C(=O)C#CC1CC1 ZINC000960626380 1318752760 /nfs/dbraw/zinc/75/27/60/1318752760.db2.gz YIYRTEKWZWIZAY-GDBMZVCRSA-N 1 2 346.421 3.362 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1coc(C)n1 ZINC000960648099 1318769351 /nfs/dbraw/zinc/76/93/51/1318769351.db2.gz KJWDFDMUMAZQGH-HNNXBMFYSA-N 1 2 339.867 3.185 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1coc(C)n1 ZINC000960648099 1318769360 /nfs/dbraw/zinc/76/93/60/1318769360.db2.gz KJWDFDMUMAZQGH-HNNXBMFYSA-N 1 2 339.867 3.185 20 30 EGEDLO CC(=[NH+][N-]c1[nH]c2cc(F)c(F)cc2[nH+]1)c1cc([N+](=O)[O-])ccc1N ZINC000814794363 1318818942 /nfs/dbraw/zinc/81/89/42/1318818942.db2.gz CSUUSNWGYQQESQ-UHFFFAOYSA-N 1 2 346.297 3.168 20 30 EGEDLO Clc1ccc(C=NNc2cc[nH+]c3ccccc23)c(-n2cncn2)c1 ZINC000814841300 1318830112 /nfs/dbraw/zinc/83/01/12/1318830112.db2.gz KQIKUAXBSBLHJG-UHFFFAOYSA-N 1 2 348.797 3.337 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ncc(CC)o1 ZINC000960830385 1318960999 /nfs/dbraw/zinc/96/09/99/1318960999.db2.gz BHFAOFKGWIUXGU-DNVCBOLYSA-N 1 2 333.476 3.262 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ncc(CC)o1 ZINC000960830385 1318961003 /nfs/dbraw/zinc/96/10/03/1318961003.db2.gz BHFAOFKGWIUXGU-DNVCBOLYSA-N 1 2 333.476 3.262 20 30 EGEDLO CCc1ccccc1N[NH+]=Cc1c(Cl)nc(N)nc1N1CCCC1 ZINC000915051799 1319414532 /nfs/dbraw/zinc/41/45/32/1319414532.db2.gz SHDXSJDTGQKVGJ-UHFFFAOYSA-N 1 2 344.850 3.321 20 30 EGEDLO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2cnccc2N)ccc1OC ZINC000817917035 1319459633 /nfs/dbraw/zinc/45/96/33/1319459633.db2.gz DKUCBAGDRHHCOZ-DZGCQCFKSA-N 1 2 340.427 3.035 20 30 EGEDLO CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2c[nH+]ccc2N)ccc1OC ZINC000817917035 1319459642 /nfs/dbraw/zinc/45/96/42/1319459642.db2.gz DKUCBAGDRHHCOZ-DZGCQCFKSA-N 1 2 340.427 3.035 20 30 EGEDLO CC(=NNC(=S)NC1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000915928155 1319564435 /nfs/dbraw/zinc/56/44/35/1319564435.db2.gz RGLHLARIRCDXFX-UHFFFAOYSA-N 1 2 341.484 3.393 20 30 EGEDLO C=C1CCC(C(=O)NC2[C@H]3C[N@@H+](C/C(Cl)=C\Cl)C[C@@H]23)CC1 ZINC000961668136 1319687633 /nfs/dbraw/zinc/68/76/33/1319687633.db2.gz NJLGFGXIFVINRT-HFJCYPSFSA-N 1 2 329.271 3.098 20 30 EGEDLO C=C1CCC(C(=O)NC2[C@H]3C[N@H+](C/C(Cl)=C\Cl)C[C@@H]23)CC1 ZINC000961668136 1319687642 /nfs/dbraw/zinc/68/76/42/1319687642.db2.gz NJLGFGXIFVINRT-HFJCYPSFSA-N 1 2 329.271 3.098 20 30 EGEDLO CCCOc1ccc(OCCO[NH+]=C(N)c2ccc(OC)cc2)cc1 ZINC000917403949 1319800411 /nfs/dbraw/zinc/80/04/11/1319800411.db2.gz ZWLXCKHBUYUMFZ-UHFFFAOYSA-N 1 2 344.411 3.200 20 30 EGEDLO C=C[C@H](Cc1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1)c1ccccc1 ZINC000823394371 1320174842 /nfs/dbraw/zinc/17/48/42/1320174842.db2.gz YBXDIZBPMUNGLR-HIFRSBDPSA-N 1 2 343.427 3.314 20 30 EGEDLO C=CC(C)(C)CNC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000836591947 1320508802 /nfs/dbraw/zinc/50/88/02/1320508802.db2.gz AMVIEIYMLBNKJI-UHFFFAOYSA-N 1 2 344.503 3.233 20 30 EGEDLO N#CC[C@@H](O)C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC000930615408 1328916266 /nfs/dbraw/zinc/91/62/66/1328916266.db2.gz WDLKXVBRLHQDNQ-QGZVFWFLSA-N 1 2 349.356 3.377 20 30 EGEDLO N#CC[C@@H](O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC000930615408 1328916268 /nfs/dbraw/zinc/91/62/68/1328916268.db2.gz WDLKXVBRLHQDNQ-QGZVFWFLSA-N 1 2 349.356 3.377 20 30 EGEDLO C#Cc1ccc([C@@H](OC(=O)CCCn2cc[nH+]c2)C(F)(F)F)cc1 ZINC000839432262 1320919177 /nfs/dbraw/zinc/91/91/77/1320919177.db2.gz KYVFWPAAPVYKIS-MRXNPFEDSA-N 1 2 336.313 3.491 20 30 EGEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000839600702 1320943568 /nfs/dbraw/zinc/94/35/68/1320943568.db2.gz DGVCKLDMYKXEPE-KRWDZBQOSA-N 1 2 336.435 3.466 20 30 EGEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000839600702 1320943572 /nfs/dbraw/zinc/94/35/72/1320943572.db2.gz DGVCKLDMYKXEPE-KRWDZBQOSA-N 1 2 336.435 3.466 20 30 EGEDLO C#CCCCS(=O)(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000840947455 1321183514 /nfs/dbraw/zinc/18/35/14/1321183514.db2.gz JJIFFRUIJOLANV-UHFFFAOYSA-N 1 2 343.452 3.042 20 30 EGEDLO COC(=O)Cc1ccc(N[NH+]=Cc2ccc(N3CCCCC3)o2)cc1 ZINC000844607356 1321625898 /nfs/dbraw/zinc/62/58/98/1321625898.db2.gz VWYWGWZNWGHCKE-UHFFFAOYSA-N 1 2 341.411 3.431 20 30 EGEDLO CC(C)C#CC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000847011819 1321833884 /nfs/dbraw/zinc/83/38/84/1321833884.db2.gz DNRCQRQUYJDBGW-UHFFFAOYSA-N 1 2 329.831 3.225 20 30 EGEDLO CC(C)(C)OC(=O)NCC12CC(C1)C[N@@H+]2Cc1cccc(C#N)c1F ZINC000852529177 1323206018 /nfs/dbraw/zinc/20/60/18/1323206018.db2.gz QQCMAWABEVLGFU-UHFFFAOYSA-N 1 2 345.418 3.186 20 30 EGEDLO CC(C)(C)OC(=O)NCC12CC(C1)C[N@H+]2Cc1cccc(C#N)c1F ZINC000852529177 1323206026 /nfs/dbraw/zinc/20/60/26/1323206026.db2.gz QQCMAWABEVLGFU-UHFFFAOYSA-N 1 2 345.418 3.186 20 30 EGEDLO C=CC[N@H+](Cc1nnnn1-c1ccc(OC(F)F)cc1)C(C)(C)C ZINC000852554943 1323208735 /nfs/dbraw/zinc/20/87/35/1323208735.db2.gz ZCCWWOXOEHBNHM-UHFFFAOYSA-N 1 2 337.374 3.050 20 30 EGEDLO C=CC[N@@H+](Cc1nnnn1-c1ccc(OC(F)F)cc1)C(C)(C)C ZINC000852554943 1323208742 /nfs/dbraw/zinc/20/87/42/1323208742.db2.gz ZCCWWOXOEHBNHM-UHFFFAOYSA-N 1 2 337.374 3.050 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccoc2)c(F)c1 ZINC001024331828 1323319918 /nfs/dbraw/zinc/31/99/18/1323319918.db2.gz QXFXERWWJHLAOF-QGZVFWFLSA-N 1 2 341.386 3.075 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccoc2)c(F)c1 ZINC001024331828 1323319923 /nfs/dbraw/zinc/31/99/23/1323319923.db2.gz QXFXERWWJHLAOF-QGZVFWFLSA-N 1 2 341.386 3.075 20 30 EGEDLO Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)cn1 ZINC001024332905 1323320632 /nfs/dbraw/zinc/32/06/32/1323320632.db2.gz JBQYWOVXWJMNNX-HXUWFJFHSA-N 1 2 348.450 3.046 20 30 EGEDLO Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)cn1 ZINC001024332905 1323320640 /nfs/dbraw/zinc/32/06/40/1323320640.db2.gz JBQYWOVXWJMNNX-HXUWFJFHSA-N 1 2 348.450 3.046 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccnc(C2CC2)c1 ZINC001024535617 1323476415 /nfs/dbraw/zinc/47/64/15/1323476415.db2.gz VCOYHNVYCXCQIG-INIZCTEOSA-N 1 2 333.863 3.296 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccnc(C2CC2)c1 ZINC001024535617 1323476423 /nfs/dbraw/zinc/47/64/23/1323476423.db2.gz VCOYHNVYCXCQIG-INIZCTEOSA-N 1 2 333.863 3.296 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1nccc2occc21 ZINC001024571414 1323508280 /nfs/dbraw/zinc/50/82/80/1323508280.db2.gz CUSSCDJRAJKGNK-CYBMUJFWSA-N 1 2 333.819 3.165 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1nccc2occc21 ZINC001024571414 1323508282 /nfs/dbraw/zinc/50/82/82/1323508282.db2.gz CUSSCDJRAJKGNK-CYBMUJFWSA-N 1 2 333.819 3.165 20 30 EGEDLO C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1Cl ZINC001024598488 1323528198 /nfs/dbraw/zinc/52/81/98/1323528198.db2.gz GCURPXFZWYVXRT-BPQIPLTHSA-N 1 2 344.886 3.318 20 30 EGEDLO C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC001024598488 1323528201 /nfs/dbraw/zinc/52/82/01/1323528201.db2.gz GCURPXFZWYVXRT-BPQIPLTHSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ncc(C)o2)CC1 ZINC001024633933 1323559900 /nfs/dbraw/zinc/55/99/00/1323559900.db2.gz OVTSPPFXZHJBCV-QGZVFWFLSA-N 1 2 331.460 3.200 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ncc(C)o2)CC1 ZINC001024633933 1323559904 /nfs/dbraw/zinc/55/99/04/1323559904.db2.gz OVTSPPFXZHJBCV-QGZVFWFLSA-N 1 2 331.460 3.200 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC001024671670 1323583702 /nfs/dbraw/zinc/58/37/02/1323583702.db2.gz IICADLANBVDWSS-CYBMUJFWSA-N 1 2 348.834 3.007 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC001024671670 1323583706 /nfs/dbraw/zinc/58/37/06/1323583706.db2.gz IICADLANBVDWSS-CYBMUJFWSA-N 1 2 348.834 3.007 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](Cc3nncs3)C2)CC1 ZINC001025520830 1324365866 /nfs/dbraw/zinc/36/58/66/1324365866.db2.gz AXMOOOYBLKYTJT-HOCLYGCPSA-N 1 2 348.516 3.001 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](Cc3nncs3)C2)CC1 ZINC001025520830 1324365870 /nfs/dbraw/zinc/36/58/70/1324365870.db2.gz AXMOOOYBLKYTJT-HOCLYGCPSA-N 1 2 348.516 3.001 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000853447963 1325093390 /nfs/dbraw/zinc/09/33/90/1325093390.db2.gz PFAKIVVOFWGGTR-QGZVFWFLSA-N 1 2 341.455 3.077 20 30 EGEDLO C#CC[C@H](Nc1cc(N2CCC(C)(O)CC2)nc[nH+]1)c1ccccc1 ZINC000853459446 1325096750 /nfs/dbraw/zinc/09/67/50/1325096750.db2.gz NWAZOQKBWXXXEC-KRWDZBQOSA-N 1 2 336.439 3.004 20 30 EGEDLO C#CC[C@H](Nc1cc(N2CCC(C)(O)CC2)[nH+]cn1)c1ccccc1 ZINC000853459446 1325096754 /nfs/dbraw/zinc/09/67/54/1325096754.db2.gz NWAZOQKBWXXXEC-KRWDZBQOSA-N 1 2 336.439 3.004 20 30 EGEDLO C[C@H](C#N)C(=O)N1CCC[C@H]([N@H+](C)Cc2nc(C(C)(C)C)cs2)C1 ZINC001027330082 1325486587 /nfs/dbraw/zinc/48/65/87/1325486587.db2.gz HXXUFYZQMDXCLV-KGLIPLIRSA-N 1 2 348.516 3.023 20 30 EGEDLO C[C@H](C#N)C(=O)N1CCC[C@H]([N@@H+](C)Cc2nc(C(C)(C)C)cs2)C1 ZINC001027330082 1325486599 /nfs/dbraw/zinc/48/65/99/1325486599.db2.gz HXXUFYZQMDXCLV-KGLIPLIRSA-N 1 2 348.516 3.023 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)CCC2CC2)C1 ZINC001027339500 1325498863 /nfs/dbraw/zinc/49/88/63/1325498863.db2.gz XKWXKUGUUGWMDX-AWEZNQCLSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)CCC2CC2)C1 ZINC001027339500 1325498865 /nfs/dbraw/zinc/49/88/65/1325498865.db2.gz XKWXKUGUUGWMDX-AWEZNQCLSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2coc(C)n2)C1 ZINC001027425508 1327660076 /nfs/dbraw/zinc/66/00/76/1327660076.db2.gz JQZMCNINWAVOJP-OAHLLOKOSA-N 1 2 339.867 3.185 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2coc(C)n2)C1 ZINC001027425508 1327660087 /nfs/dbraw/zinc/66/00/87/1327660087.db2.gz JQZMCNINWAVOJP-OAHLLOKOSA-N 1 2 339.867 3.185 20 30 EGEDLO C[C@@H]1CC[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cccs1 ZINC000964831863 1327717636 /nfs/dbraw/zinc/71/76/36/1327717636.db2.gz AGWQZBPPBBFZCB-SJLPKXTDSA-N 1 2 338.476 3.240 20 30 EGEDLO C[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cccs1 ZINC000964831863 1327717642 /nfs/dbraw/zinc/71/76/42/1327717642.db2.gz AGWQZBPPBBFZCB-SJLPKXTDSA-N 1 2 338.476 3.240 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]([N@H+](C)Cc3nc(C)oc3C)C2)C1 ZINC001027566025 1327892912 /nfs/dbraw/zinc/89/29/12/1327892912.db2.gz FAJXYEDIXSBDTI-INIZCTEOSA-N 1 2 331.460 3.071 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]([N@@H+](C)Cc3nc(C)oc3C)C2)C1 ZINC001027566025 1327892916 /nfs/dbraw/zinc/89/29/16/1327892916.db2.gz FAJXYEDIXSBDTI-INIZCTEOSA-N 1 2 331.460 3.071 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@@H]2C)co1 ZINC000965951010 1328126822 /nfs/dbraw/zinc/12/68/22/1328126822.db2.gz AVONNXKXIAGWQV-LIRRHRJNSA-N 1 2 337.423 3.100 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3C#N)CC[C@@H]2C)co1 ZINC000965951010 1328126824 /nfs/dbraw/zinc/12/68/24/1328126824.db2.gz AVONNXKXIAGWQV-LIRRHRJNSA-N 1 2 337.423 3.100 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC000966637741 1328364500 /nfs/dbraw/zinc/36/45/00/1328364500.db2.gz YJFSYGVGVPGXRT-RDTXWAMCSA-N 1 2 345.874 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC000966637741 1328364504 /nfs/dbraw/zinc/36/45/04/1328364504.db2.gz YJFSYGVGVPGXRT-RDTXWAMCSA-N 1 2 345.874 3.440 20 30 EGEDLO Cc1ccc(-c2noc(CCC[N@@H+]3CCC[C@@H](C#N)C3)n2)cc1F ZINC000932158480 1329789608 /nfs/dbraw/zinc/78/96/08/1329789608.db2.gz IVKBQDGJKDTEPM-AWEZNQCLSA-N 1 2 328.391 3.352 20 30 EGEDLO Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@@H](C#N)C3)n2)cc1F ZINC000932158480 1329789609 /nfs/dbraw/zinc/78/96/09/1329789609.db2.gz IVKBQDGJKDTEPM-AWEZNQCLSA-N 1 2 328.391 3.352 20 30 EGEDLO CSCC1CC[NH+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000932590873 1329825456 /nfs/dbraw/zinc/82/54/56/1329825456.db2.gz SBSWESZHHOYYTM-LBPRGKRZSA-N 1 2 335.473 3.170 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000933859181 1329929079 /nfs/dbraw/zinc/92/90/79/1329929079.db2.gz FPQFOJDYDOZMHC-QFBILLFUSA-N 1 2 330.391 3.475 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cscn3)C[C@H]2C)CC1 ZINC000942600590 1331998077 /nfs/dbraw/zinc/99/80/77/1331998077.db2.gz RTQWHRLLHNZZDW-PBHICJAKSA-N 1 2 333.501 3.216 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cscn3)C[C@H]2C)CC1 ZINC000942600590 1331998078 /nfs/dbraw/zinc/99/80/78/1331998078.db2.gz RTQWHRLLHNZZDW-PBHICJAKSA-N 1 2 333.501 3.216 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2occc2C)C[C@@H]1C ZINC000947057806 1332995069 /nfs/dbraw/zinc/99/50/69/1332995069.db2.gz USYDOSQMVNQDIX-STQMWFEESA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2occc2C)C[C@@H]1C ZINC000947057806 1332995071 /nfs/dbraw/zinc/99/50/71/1332995071.db2.gz USYDOSQMVNQDIX-STQMWFEESA-N 1 2 341.249 3.079 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)c2ccoc2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947060880 1332997186 /nfs/dbraw/zinc/99/71/86/1332997186.db2.gz KLPPVCIBMDMGRN-ACJLOTCBSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)c2ccoc2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947060880 1332997189 /nfs/dbraw/zinc/99/71/89/1332997189.db2.gz KLPPVCIBMDMGRN-ACJLOTCBSA-N 1 2 341.386 3.073 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC000948920134 1333734373 /nfs/dbraw/zinc/73/43/73/1333734373.db2.gz XJOIIJJPLDVION-PZJWPPBQSA-N 1 2 336.479 3.472 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC000948920134 1333734376 /nfs/dbraw/zinc/73/43/76/1333734376.db2.gz XJOIIJJPLDVION-PZJWPPBQSA-N 1 2 336.479 3.472 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccsc1Cl ZINC000948966029 1333750103 /nfs/dbraw/zinc/75/01/03/1333750103.db2.gz UJGKLSOIBOZADH-MRXNPFEDSA-N 1 2 344.867 3.364 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccsc1Cl ZINC000948966029 1333750104 /nfs/dbraw/zinc/75/01/04/1333750104.db2.gz UJGKLSOIBOZADH-MRXNPFEDSA-N 1 2 344.867 3.364 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C1CCC(F)(F)CC1 ZINC000948966267 1333750340 /nfs/dbraw/zinc/75/03/40/1333750340.db2.gz XFVZHDSFPMFVFB-GOSISDBHSA-N 1 2 346.421 3.161 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C1CCC(F)(F)CC1 ZINC000948966267 1333750344 /nfs/dbraw/zinc/75/03/44/1333750344.db2.gz XFVZHDSFPMFVFB-GOSISDBHSA-N 1 2 346.421 3.161 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[NH+](CCCc2c(F)cccc2F)CC1 ZINC000949667460 1333892924 /nfs/dbraw/zinc/89/29/24/1333892924.db2.gz XSARQZYDCREJPV-UHFFFAOYSA-N 1 2 336.426 3.254 20 30 EGEDLO Cc1ccc(C)c(CC(=O)N2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000949995571 1333988348 /nfs/dbraw/zinc/98/83/48/1333988348.db2.gz OAZDEGGPIBCWLD-UHFFFAOYSA-N 1 2 347.462 3.062 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[NH+](CCOc3cc(C)cc(C)c3)CC2)C1 ZINC000950373243 1334053270 /nfs/dbraw/zinc/05/32/70/1334053270.db2.gz NNELGHKDOBPGOQ-UHFFFAOYSA-N 1 2 342.483 3.183 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[NH+](Cc3ccc(C)c(OC)c3)CC2)C1 ZINC000950383146 1334056633 /nfs/dbraw/zinc/05/66/33/1334056633.db2.gz UDPVHTLMMLLPDR-UHFFFAOYSA-N 1 2 328.456 3.004 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC000967208203 1335676774 /nfs/dbraw/zinc/67/67/74/1335676774.db2.gz RJRIICGANNCROA-BLLLJJGKSA-N 1 2 346.862 3.064 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC000967208203 1335676776 /nfs/dbraw/zinc/67/67/76/1335676776.db2.gz RJRIICGANNCROA-BLLLJJGKSA-N 1 2 346.862 3.064 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc3ncccc32)C1 ZINC000967601345 1335787369 /nfs/dbraw/zinc/78/73/69/1335787369.db2.gz YXFPJZGRUQWEOR-UGSOOPFHSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc3ncccc32)C1 ZINC000967601345 1335787372 /nfs/dbraw/zinc/78/73/72/1335787372.db2.gz YXFPJZGRUQWEOR-UGSOOPFHSA-N 1 2 343.858 3.428 20 30 EGEDLO Cc1coc(C(=O)N[C@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@H]2C)c1 ZINC000967892214 1335825394 /nfs/dbraw/zinc/82/53/94/1335825394.db2.gz CFYMCGOUCHDNHD-MJGOQNOKSA-N 1 2 336.435 3.080 20 30 EGEDLO Cc1coc(C(=O)N[C@H]2C[N@H+](CC#Cc3ccccc3)CC[C@H]2C)c1 ZINC000967892214 1335825395 /nfs/dbraw/zinc/82/53/95/1335825395.db2.gz CFYMCGOUCHDNHD-MJGOQNOKSA-N 1 2 336.435 3.080 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cncc3sccc32)C1 ZINC000967995904 1335842016 /nfs/dbraw/zinc/84/20/16/1335842016.db2.gz PQZHTDBOLMJFDY-XHDPSFHLSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cncc3sccc32)C1 ZINC000967995904 1335842017 /nfs/dbraw/zinc/84/20/17/1335842017.db2.gz PQZHTDBOLMJFDY-XHDPSFHLSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(OC)cc2C)C1 ZINC000968133960 1335860172 /nfs/dbraw/zinc/86/01/72/1335860172.db2.gz WCDMRJKICDUGAD-SJKOYZFVSA-N 1 2 336.863 3.196 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(OC)cc2C)C1 ZINC000968133960 1335860176 /nfs/dbraw/zinc/86/01/76/1335860176.db2.gz WCDMRJKICDUGAD-SJKOYZFVSA-N 1 2 336.863 3.196 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3nc(C)cs3)CC[C@@H]2C)C1 ZINC000968213621 1335872838 /nfs/dbraw/zinc/87/28/38/1335872838.db2.gz PSDZNVXIWKVDOV-DZGCQCFKSA-N 1 2 333.501 3.134 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3nc(C)cs3)CC[C@@H]2C)C1 ZINC000968213621 1335872839 /nfs/dbraw/zinc/87/28/39/1335872839.db2.gz PSDZNVXIWKVDOV-DZGCQCFKSA-N 1 2 333.501 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(OCC)cc2)C1 ZINC000968598192 1335978114 /nfs/dbraw/zinc/97/81/14/1335978114.db2.gz BKIXEVVTQYFCOG-SUMWQHHRSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(OCC)cc2)C1 ZINC000968598192 1335978116 /nfs/dbraw/zinc/97/81/16/1335978116.db2.gz BKIXEVVTQYFCOG-SUMWQHHRSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(Cl)cn2CC)C1 ZINC000968655170 1335998566 /nfs/dbraw/zinc/99/85/66/1335998566.db2.gz LZPUBZVAIHSFCC-RISCZKNCSA-N 1 2 344.286 3.354 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(Cl)cn2CC)C1 ZINC000968655170 1335998571 /nfs/dbraw/zinc/99/85/71/1335998571.db2.gz LZPUBZVAIHSFCC-RISCZKNCSA-N 1 2 344.286 3.354 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2ccc(C)s2)C1 ZINC000968677604 1336006583 /nfs/dbraw/zinc/00/65/83/1336006583.db2.gz GGJAJNOCECWLQU-IAQYHMDHSA-N 1 2 326.893 3.178 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2ccc(C)s2)C1 ZINC000968677604 1336006585 /nfs/dbraw/zinc/00/65/85/1336006585.db2.gz GGJAJNOCECWLQU-IAQYHMDHSA-N 1 2 326.893 3.178 20 30 EGEDLO C[C@@H](NC(=O)C1CCCCC1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969218853 1336179750 /nfs/dbraw/zinc/17/97/50/1336179750.db2.gz GKKIRDNVBMOCQK-CQSZACIVSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)C2(C)CCCC2)CC1 ZINC001005791581 1336402366 /nfs/dbraw/zinc/40/23/66/1336402366.db2.gz NHSUISXYZBTKPN-UHFFFAOYSA-N 1 2 343.309 3.398 20 30 EGEDLO C[C@H]1C[C@@H]1CC(=O)N(C)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001005932276 1336424147 /nfs/dbraw/zinc/42/41/47/1336424147.db2.gz XCBXECBUNKKBDD-GOEBONIOSA-N 1 2 343.446 3.166 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@H]2C[C@@H]2C(C)C)CC1 ZINC001006221968 1336469882 /nfs/dbraw/zinc/46/98/82/1336469882.db2.gz ZSRJOIZJOAJZHL-CABCVRRESA-N 1 2 343.309 3.110 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)s1 ZINC001006601923 1336536061 /nfs/dbraw/zinc/53/60/61/1336536061.db2.gz JLJKFGBQSVIXTC-KRWDZBQOSA-N 1 2 339.464 3.323 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)s1 ZINC001006601923 1336536065 /nfs/dbraw/zinc/53/60/65/1336536065.db2.gz JLJKFGBQSVIXTC-KRWDZBQOSA-N 1 2 339.464 3.323 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3CC=CCC3)C2)ccc1F ZINC001006720808 1336563786 /nfs/dbraw/zinc/56/37/86/1336563786.db2.gz IRTNXWDIJIPEJI-WMZOPIPTSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1cc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3CC=CCC3)C2)ccc1F ZINC001006720808 1336563789 /nfs/dbraw/zinc/56/37/89/1336563789.db2.gz IRTNXWDIJIPEJI-WMZOPIPTSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001006749643 1336571145 /nfs/dbraw/zinc/57/11/45/1336571145.db2.gz IQZYRPSBNNEPPT-OAHLLOKOSA-N 1 2 343.814 3.199 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001006749643 1336571148 /nfs/dbraw/zinc/57/11/48/1336571148.db2.gz IQZYRPSBNNEPPT-OAHLLOKOSA-N 1 2 343.814 3.199 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cccc([C@H]3CCOC3)c2)C1 ZINC001007701027 1336689230 /nfs/dbraw/zinc/68/92/30/1336689230.db2.gz XJSWNYGQEIBFFE-ROUUACIJSA-N 1 2 348.874 3.137 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cccc([C@H]3CCOC3)c2)C1 ZINC001007701027 1336689232 /nfs/dbraw/zinc/68/92/32/1336689232.db2.gz XJSWNYGQEIBFFE-ROUUACIJSA-N 1 2 348.874 3.137 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cccc3cccnc32)C1 ZINC001007818377 1336707233 /nfs/dbraw/zinc/70/72/33/1336707233.db2.gz REYJLSDFKKZCLV-HNNXBMFYSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cccc3cccnc32)C1 ZINC001007818377 1336707236 /nfs/dbraw/zinc/70/72/36/1336707236.db2.gz REYJLSDFKKZCLV-HNNXBMFYSA-N 1 2 329.831 3.182 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)c2occ3c2CCC3)C1 ZINC001008078356 1336763692 /nfs/dbraw/zinc/76/36/92/1336763692.db2.gz SDWRKZMMJJOGCT-GOSISDBHSA-N 1 2 349.434 3.034 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)c2occ3c2CCC3)C1 ZINC001008078356 1336763694 /nfs/dbraw/zinc/76/36/94/1336763694.db2.gz SDWRKZMMJJOGCT-GOSISDBHSA-N 1 2 349.434 3.034 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](Cc3nc(C)cs3)C2)CC1 ZINC001008413875 1336845890 /nfs/dbraw/zinc/84/58/90/1336845890.db2.gz WGDDKNDEBQFRPB-INIZCTEOSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](Cc3nc(C)cs3)C2)CC1 ZINC001008413875 1336845892 /nfs/dbraw/zinc/84/58/92/1336845892.db2.gz WGDDKNDEBQFRPB-INIZCTEOSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)C1 ZINC001008435898 1336852674 /nfs/dbraw/zinc/85/26/74/1336852674.db2.gz CEQFSEQTRQPFQF-HNNXBMFYSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)C1 ZINC001008435898 1336852675 /nfs/dbraw/zinc/85/26/75/1336852675.db2.gz CEQFSEQTRQPFQF-HNNXBMFYSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001008666051 1336907055 /nfs/dbraw/zinc/90/70/55/1336907055.db2.gz LVAFTPMBSBUOLQ-ROUUACIJSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001008666051 1336907056 /nfs/dbraw/zinc/90/70/56/1336907056.db2.gz LVAFTPMBSBUOLQ-ROUUACIJSA-N 1 2 332.875 3.125 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001008833620 1336931954 /nfs/dbraw/zinc/93/19/54/1336931954.db2.gz JTLVAHNREBEMIZ-HSALFYBXSA-N 1 2 337.467 3.075 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001008833620 1336931956 /nfs/dbraw/zinc/93/19/56/1336931956.db2.gz JTLVAHNREBEMIZ-HSALFYBXSA-N 1 2 337.467 3.075 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)cs1 ZINC001008878304 1336936859 /nfs/dbraw/zinc/93/68/59/1336936859.db2.gz XVBCGJUNSRUBNZ-SFHVURJKSA-N 1 2 339.464 3.323 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)cs1 ZINC001008878304 1336936860 /nfs/dbraw/zinc/93/68/60/1336936860.db2.gz XVBCGJUNSRUBNZ-SFHVURJKSA-N 1 2 339.464 3.323 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001008927533 1336944007 /nfs/dbraw/zinc/94/40/07/1336944007.db2.gz SOYIMBNTAREFRF-IRXDYDNUSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001008927533 1336944010 /nfs/dbraw/zinc/94/40/10/1336944010.db2.gz SOYIMBNTAREFRF-IRXDYDNUSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3ccn(C)c3c2)C1 ZINC001009095149 1336967982 /nfs/dbraw/zinc/96/79/82/1336967982.db2.gz MUARTMHJGAUWHO-MRXNPFEDSA-N 1 2 331.847 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3ccn(C)c3c2)C1 ZINC001009095149 1336967986 /nfs/dbraw/zinc/96/79/86/1336967986.db2.gz MUARTMHJGAUWHO-MRXNPFEDSA-N 1 2 331.847 3.125 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC001009277568 1336995961 /nfs/dbraw/zinc/99/59/61/1336995961.db2.gz YSJFOUMQEJDBGS-MBOZVWFJSA-N 1 2 339.483 3.465 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC001009277568 1336995963 /nfs/dbraw/zinc/99/59/63/1336995963.db2.gz YSJFOUMQEJDBGS-MBOZVWFJSA-N 1 2 339.483 3.465 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2ccccc2Cl)C1 ZINC001009434507 1337022897 /nfs/dbraw/zinc/02/28/97/1337022897.db2.gz LKEHLRIHSCKRCU-AWEZNQCLSA-N 1 2 327.255 3.216 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2ccccc2Cl)C1 ZINC001009434507 1337022900 /nfs/dbraw/zinc/02/29/00/1337022900.db2.gz LKEHLRIHSCKRCU-AWEZNQCLSA-N 1 2 327.255 3.216 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@]2(C)CCc3ccccc32)C1 ZINC001009692864 1337061530 /nfs/dbraw/zinc/06/15/30/1337061530.db2.gz SXVXLRDPSREEJX-VQIMIIECSA-N 1 2 332.875 3.224 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@]2(C)CCc3ccccc32)C1 ZINC001009692864 1337061533 /nfs/dbraw/zinc/06/15/33/1337061533.db2.gz SXVXLRDPSREEJX-VQIMIIECSA-N 1 2 332.875 3.224 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc(N(C)CC)cc2)C1 ZINC001009720396 1337064737 /nfs/dbraw/zinc/06/47/37/1337064737.db2.gz GKTXHCRNOIUVOJ-INIZCTEOSA-N 1 2 335.879 3.089 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(N(C)CC)cc2)C1 ZINC001009720396 1337064742 /nfs/dbraw/zinc/06/47/42/1337064742.db2.gz GKTXHCRNOIUVOJ-INIZCTEOSA-N 1 2 335.879 3.089 20 30 EGEDLO Cc1ccccc1C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001009982033 1337132286 /nfs/dbraw/zinc/13/22/86/1337132286.db2.gz VIOWPEJFQRMUJR-QGZVFWFLSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1ccccc1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001009982033 1337132290 /nfs/dbraw/zinc/13/22/90/1337132290.db2.gz VIOWPEJFQRMUJR-QGZVFWFLSA-N 1 2 337.398 3.010 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)C3CCCCCC3)C2)c1 ZINC001010366347 1337183332 /nfs/dbraw/zinc/18/33/32/1337183332.db2.gz JIKOYOFADGHQPA-GOSISDBHSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)C3CCCCCC3)C2)c1 ZINC001010366347 1337183336 /nfs/dbraw/zinc/18/33/36/1337183336.db2.gz JIKOYOFADGHQPA-GOSISDBHSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001010568195 1337224552 /nfs/dbraw/zinc/22/45/52/1337224552.db2.gz RLUFQJNSURTIMG-QGZVFWFLSA-N 1 2 327.403 3.046 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001010568195 1337224554 /nfs/dbraw/zinc/22/45/54/1337224554.db2.gz RLUFQJNSURTIMG-QGZVFWFLSA-N 1 2 327.403 3.046 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)C3=CCCCCC3)C2)c1 ZINC001010738767 1337250182 /nfs/dbraw/zinc/25/01/82/1337250182.db2.gz CDDXPOIJYGUXRZ-GOSISDBHSA-N 1 2 341.430 3.278 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)C3=CCCCCC3)C2)c1 ZINC001010738767 1337250184 /nfs/dbraw/zinc/25/01/84/1337250184.db2.gz CDDXPOIJYGUXRZ-GOSISDBHSA-N 1 2 341.430 3.278 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2(C)CCCC2)C1 ZINC001206936392 1371232630 /nfs/dbraw/zinc/23/26/30/1371232630.db2.gz TWQIFNNIZRTQJU-TZMCWYRMSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2(C)CCCC2)C1 ZINC001206936392 1371232635 /nfs/dbraw/zinc/23/26/35/1371232635.db2.gz TWQIFNNIZRTQJU-TZMCWYRMSA-N 1 2 343.309 3.302 20 30 EGEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[C@]12C[C@H]1CCC2 ZINC001015343488 1338106563 /nfs/dbraw/zinc/10/65/63/1338106563.db2.gz UCRDEQWSPUWFSL-YVWKXTFCSA-N 1 2 342.870 3.072 20 30 EGEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[C@]12C[C@H]1CCC2 ZINC001015343488 1338106564 /nfs/dbraw/zinc/10/65/64/1338106564.db2.gz UCRDEQWSPUWFSL-YVWKXTFCSA-N 1 2 342.870 3.072 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(C3CCC3)cc2)C1 ZINC001015423476 1338135474 /nfs/dbraw/zinc/13/54/74/1338135474.db2.gz REILVMFQHVTEDR-SFHVURJKSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccc(C3CCC3)cc2)C1 ZINC001015423476 1338135475 /nfs/dbraw/zinc/13/54/75/1338135475.db2.gz REILVMFQHVTEDR-SFHVURJKSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(c3ccc(F)cc3)CCC2)C1 ZINC001015463070 1338148356 /nfs/dbraw/zinc/14/83/56/1338148356.db2.gz VCRZCAFZTYNHKU-INIZCTEOSA-N 1 2 336.838 3.190 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(c3ccc(F)cc3)CCC2)C1 ZINC001015463070 1338148359 /nfs/dbraw/zinc/14/83/59/1338148359.db2.gz VCRZCAFZTYNHKU-INIZCTEOSA-N 1 2 336.838 3.190 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(Cl)s3)C2)cc1 ZINC001015482375 1338155018 /nfs/dbraw/zinc/15/50/18/1338155018.db2.gz NBFFDTJEXDZEIQ-HNNXBMFYSA-N 1 2 344.867 3.387 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(Cl)s3)C2)cc1 ZINC001015482375 1338155023 /nfs/dbraw/zinc/15/50/23/1338155023.db2.gz NBFFDTJEXDZEIQ-HNNXBMFYSA-N 1 2 344.867 3.387 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC001015648723 1338228260 /nfs/dbraw/zinc/22/82/60/1338228260.db2.gz JSYFOPAWOUCCJW-WFASDCNBSA-N 1 2 327.255 3.387 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC001015648723 1338228263 /nfs/dbraw/zinc/22/82/63/1338228263.db2.gz JSYFOPAWOUCCJW-WFASDCNBSA-N 1 2 327.255 3.387 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(C(C)(C)C)cc2)C1 ZINC001015763310 1338297050 /nfs/dbraw/zinc/29/70/50/1338297050.db2.gz UZQKSUVJFODEDA-QGZVFWFLSA-N 1 2 334.891 3.470 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(C(C)(C)C)cc2)C1 ZINC001015763310 1338297052 /nfs/dbraw/zinc/29/70/52/1338297052.db2.gz UZQKSUVJFODEDA-QGZVFWFLSA-N 1 2 334.891 3.470 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1)c1ccccc1 ZINC001016008682 1338404391 /nfs/dbraw/zinc/40/43/91/1338404391.db2.gz ALFVPLAZPHBLOE-OXJNMPFZSA-N 1 2 333.435 3.052 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1)c1ccccc1 ZINC001016008682 1338404392 /nfs/dbraw/zinc/40/43/92/1338404392.db2.gz ALFVPLAZPHBLOE-OXJNMPFZSA-N 1 2 333.435 3.052 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(N(C)CCC)cc2)C1 ZINC001016409040 1338592185 /nfs/dbraw/zinc/59/21/85/1338592185.db2.gz RCQXDATZTRYOJX-MRXNPFEDSA-N 1 2 335.879 3.089 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(N(C)CCC)cc2)C1 ZINC001016409040 1338592192 /nfs/dbraw/zinc/59/21/92/1338592192.db2.gz RCQXDATZTRYOJX-MRXNPFEDSA-N 1 2 335.879 3.089 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1occc1-c1ccccc1 ZINC001017718717 1339400311 /nfs/dbraw/zinc/40/03/11/1339400311.db2.gz FFEYFKLQNOVEOT-HDICACEKSA-N 1 2 334.419 3.259 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1occc1-c1ccccc1 ZINC001017718717 1339400314 /nfs/dbraw/zinc/40/03/14/1339400314.db2.gz FFEYFKLQNOVEOT-HDICACEKSA-N 1 2 334.419 3.259 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(O[C@H](C)CC)cc1 ZINC001018150119 1339515512 /nfs/dbraw/zinc/51/55/12/1339515512.db2.gz OGCNBJWYKCYGOE-QRQLOZEOSA-N 1 2 340.467 3.176 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(O[C@H](C)CC)cc1 ZINC001018150119 1339515513 /nfs/dbraw/zinc/51/55/13/1339515513.db2.gz OGCNBJWYKCYGOE-QRQLOZEOSA-N 1 2 340.467 3.176 20 30 EGEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sc(C(C)C)nc1C ZINC001018263382 1339554344 /nfs/dbraw/zinc/55/43/44/1339554344.db2.gz IHAPALBFOKYFES-GASCZTMLSA-N 1 2 333.501 3.440 20 30 EGEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sc(C(C)C)nc1C ZINC001018263382 1339554347 /nfs/dbraw/zinc/55/43/47/1339554347.db2.gz IHAPALBFOKYFES-GASCZTMLSA-N 1 2 333.501 3.440 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(c2cc(C)cc(C)c2)CC1 ZINC001018281133 1339560280 /nfs/dbraw/zinc/56/02/80/1339560280.db2.gz WPNBXKYRAFTPIO-BGYRXZFFSA-N 1 2 336.479 3.034 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(c2cc(C)cc(C)c2)CC1 ZINC001018281133 1339560281 /nfs/dbraw/zinc/56/02/81/1339560281.db2.gz WPNBXKYRAFTPIO-BGYRXZFFSA-N 1 2 336.479 3.034 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(C)(F)F)cc1 ZINC001018355534 1339588449 /nfs/dbraw/zinc/58/84/49/1339588449.db2.gz QBBJIEPDZKGZDL-CALCHBBNSA-N 1 2 332.394 3.110 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(C)(F)F)cc1 ZINC001018355534 1339588453 /nfs/dbraw/zinc/58/84/53/1339588453.db2.gz QBBJIEPDZKGZDL-CALCHBBNSA-N 1 2 332.394 3.110 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2ncc(C(C)C)o2)C1 ZINC001018909233 1339750363 /nfs/dbraw/zinc/75/03/63/1339750363.db2.gz QPBGNFMGRKVQHR-ZDUSSCGKSA-N 1 2 339.867 3.267 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H]1CNC(=O)c1occc1Cl ZINC001028119117 1340439905 /nfs/dbraw/zinc/43/99/05/1340439905.db2.gz MLHXYTNPFAWTDT-HNNXBMFYSA-N 1 2 343.814 3.199 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1CNC(=O)c1occc1Cl ZINC001028119117 1340439909 /nfs/dbraw/zinc/43/99/09/1340439909.db2.gz MLHXYTNPFAWTDT-HNNXBMFYSA-N 1 2 343.814 3.199 20 30 EGEDLO C=Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(=C)Br)cc1 ZINC001028156629 1340456699 /nfs/dbraw/zinc/45/66/99/1340456699.db2.gz RLUNGOAZJUDAIR-MRXNPFEDSA-N 1 2 349.272 3.432 20 30 EGEDLO C=Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=C)Br)cc1 ZINC001028156629 1340456700 /nfs/dbraw/zinc/45/67/00/1340456700.db2.gz RLUNGOAZJUDAIR-MRXNPFEDSA-N 1 2 349.272 3.432 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(F)ccc1Cl ZINC001028160563 1340459426 /nfs/dbraw/zinc/45/94/26/1340459426.db2.gz XFDRUTYYHOADFE-GFCCVEGCSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)ccc1Cl ZINC001028160563 1340459429 /nfs/dbraw/zinc/45/94/29/1340459429.db2.gz XFDRUTYYHOADFE-GFCCVEGCSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2ccccc2C1 ZINC001028164108 1340461030 /nfs/dbraw/zinc/46/10/30/1340461030.db2.gz HXHUYXSVQSQSNR-MSOLQXFVSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2ccccc2C1 ZINC001028164108 1340461033 /nfs/dbraw/zinc/46/10/33/1340461033.db2.gz HXHUYXSVQSQSNR-MSOLQXFVSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2cccc(OC)c21 ZINC001028184123 1340473367 /nfs/dbraw/zinc/47/33/67/1340473367.db2.gz HSTJCQJUKCUCLZ-JKSUJKDBSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2cccc(OC)c21 ZINC001028184123 1340473368 /nfs/dbraw/zinc/47/33/68/1340473368.db2.gz HSTJCQJUKCUCLZ-JKSUJKDBSA-N 1 2 348.874 3.058 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001029432814 1340989274 /nfs/dbraw/zinc/98/92/74/1340989274.db2.gz MQOLBLSTZLPNBW-CEXWTWQISA-N 1 2 337.467 3.170 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001029432814 1340989275 /nfs/dbraw/zinc/98/92/75/1340989275.db2.gz MQOLBLSTZLPNBW-CEXWTWQISA-N 1 2 337.467 3.170 20 30 EGEDLO N#Cc1ccc(C(=O)NC2C[NH+](Cc3ccc(C4CCCC4)cc3)C2)[nH]1 ZINC001030223799 1341172953 /nfs/dbraw/zinc/17/29/53/1341172953.db2.gz DHVUWIPKCAVRDU-UHFFFAOYSA-N 1 2 348.450 3.158 20 30 EGEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001031667815 1341386085 /nfs/dbraw/zinc/38/60/85/1341386085.db2.gz OLRSROTWFXZZSK-QGZVFWFLSA-N 1 2 337.467 3.077 20 30 EGEDLO C[C@@H]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)C1 ZINC001031938763 1341426705 /nfs/dbraw/zinc/42/67/05/1341426705.db2.gz NNUVXYZENHCVOV-RHSMWYFYSA-N 1 2 343.446 3.072 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOc1ccccc1F ZINC001032559527 1341540216 /nfs/dbraw/zinc/54/02/16/1341540216.db2.gz JGAKFSWOEFYKIY-HOTGVXAUSA-N 1 2 346.446 3.092 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOc1ccccc1F ZINC001032559527 1341540217 /nfs/dbraw/zinc/54/02/17/1341540217.db2.gz JGAKFSWOEFYKIY-HOTGVXAUSA-N 1 2 346.446 3.092 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1OC1CC1 ZINC001032561841 1341540966 /nfs/dbraw/zinc/54/09/66/1341540966.db2.gz DAURALUHRHZQMB-IRXDYDNUSA-N 1 2 340.467 3.225 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1OC1CC1 ZINC001032561841 1341540967 /nfs/dbraw/zinc/54/09/67/1341540967.db2.gz DAURALUHRHZQMB-IRXDYDNUSA-N 1 2 340.467 3.225 20 30 EGEDLO CC(C)c1[nH]ccc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032580008 1341547890 /nfs/dbraw/zinc/54/78/90/1341547890.db2.gz RGUGOMCUUYFDIZ-ROUUACIJSA-N 1 2 348.450 3.109 20 30 EGEDLO CC(C)c1[nH]ccc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032580008 1341547891 /nfs/dbraw/zinc/54/78/91/1341547891.db2.gz RGUGOMCUUYFDIZ-ROUUACIJSA-N 1 2 348.450 3.109 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)CC1 ZINC001032602836 1341555119 /nfs/dbraw/zinc/55/51/19/1341555119.db2.gz DLUVDANVQZRUSQ-PMACEKPBSA-N 1 2 335.451 3.090 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)CC1 ZINC001032602836 1341555122 /nfs/dbraw/zinc/55/51/22/1341555122.db2.gz DLUVDANVQZRUSQ-PMACEKPBSA-N 1 2 335.451 3.090 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](F)c2ccccc2)c1 ZINC001032653565 1341571117 /nfs/dbraw/zinc/57/11/17/1341571117.db2.gz YGFVETUHIHPUIL-UFYCRDLUSA-N 1 2 349.409 3.054 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](F)c2ccccc2)c1 ZINC001032653565 1341571118 /nfs/dbraw/zinc/57/11/18/1341571118.db2.gz YGFVETUHIHPUIL-UFYCRDLUSA-N 1 2 349.409 3.054 20 30 EGEDLO CN(C(=O)C1CCCC1)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001032862162 1341637782 /nfs/dbraw/zinc/63/77/82/1341637782.db2.gz PVYRBOZABZSWNO-SFHVURJKSA-N 1 2 344.886 3.414 20 30 EGEDLO CN(C(=O)C1CCCC1)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001032862162 1341637783 /nfs/dbraw/zinc/63/77/83/1341637783.db2.gz PVYRBOZABZSWNO-SFHVURJKSA-N 1 2 344.886 3.414 20 30 EGEDLO CN(C(=O)[C@@H]1CC1(C)C)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033014283 1341697170 /nfs/dbraw/zinc/69/71/70/1341697170.db2.gz ASDJDQZPDXBIGZ-IRXDYDNUSA-N 1 2 344.886 3.270 20 30 EGEDLO CN(C(=O)[C@@H]1CC1(C)C)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033014283 1341697171 /nfs/dbraw/zinc/69/71/71/1341697171.db2.gz ASDJDQZPDXBIGZ-IRXDYDNUSA-N 1 2 344.886 3.270 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ncc(C)s3)C2)CC1 ZINC001033388926 1341808302 /nfs/dbraw/zinc/80/83/02/1341808302.db2.gz GSZYTCAPRODTLK-MRXNPFEDSA-N 1 2 333.501 3.231 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ncc(C)s3)C2)CC1 ZINC001033388926 1341808303 /nfs/dbraw/zinc/80/83/03/1341808303.db2.gz GSZYTCAPRODTLK-MRXNPFEDSA-N 1 2 333.501 3.231 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@@H+](Cc3csc(CC)n3)C2)C1 ZINC001033393400 1341810566 /nfs/dbraw/zinc/81/05/66/1341810566.db2.gz ISNLJMJIUZWJLR-HNNXBMFYSA-N 1 2 333.501 3.095 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@H+](Cc3csc(CC)n3)C2)C1 ZINC001033393400 1341810568 /nfs/dbraw/zinc/81/05/68/1341810568.db2.gz ISNLJMJIUZWJLR-HNNXBMFYSA-N 1 2 333.501 3.095 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC001033449576 1341829165 /nfs/dbraw/zinc/82/91/65/1341829165.db2.gz NMGCZQYAZTYAOA-ZDUSSCGKSA-N 1 2 345.245 3.307 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC001033449576 1341829166 /nfs/dbraw/zinc/82/91/66/1341829166.db2.gz NMGCZQYAZTYAOA-ZDUSSCGKSA-N 1 2 345.245 3.307 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnc3ccccc3c2)C1 ZINC001033451010 1341829578 /nfs/dbraw/zinc/82/95/78/1341829578.db2.gz AEZWDENENVKDHH-INIZCTEOSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnc3ccccc3c2)C1 ZINC001033451010 1341829579 /nfs/dbraw/zinc/82/95/79/1341829579.db2.gz AEZWDENENVKDHH-INIZCTEOSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC23CCCC3)C1 ZINC001033564853 1341875366 /nfs/dbraw/zinc/87/53/66/1341875366.db2.gz ZXTNTBSFCWCITE-KGLIPLIRSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC23CCCC3)C1 ZINC001033564853 1341875368 /nfs/dbraw/zinc/87/53/68/1341875368.db2.gz ZXTNTBSFCWCITE-KGLIPLIRSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC23CCCC3)C1 ZINC001033564857 1341875407 /nfs/dbraw/zinc/87/54/07/1341875407.db2.gz ZXTNTBSFCWCITE-ZIAGYGMSSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC23CCCC3)C1 ZINC001033564857 1341875409 /nfs/dbraw/zinc/87/54/09/1341875409.db2.gz ZXTNTBSFCWCITE-ZIAGYGMSSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)cc2)C1 ZINC001033610811 1341901376 /nfs/dbraw/zinc/90/13/76/1341901376.db2.gz DFXRXLOEKFAUGZ-OAHLLOKOSA-N 1 2 337.261 3.050 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)cc2)C1 ZINC001033610811 1341901378 /nfs/dbraw/zinc/90/13/78/1341901378.db2.gz DFXRXLOEKFAUGZ-OAHLLOKOSA-N 1 2 337.261 3.050 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2sc(C)cc2C)C1 ZINC001033624573 1341907935 /nfs/dbraw/zinc/90/79/35/1341907935.db2.gz NOZBTAOLVWUXKC-CQSZACIVSA-N 1 2 326.893 3.193 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2sc(C)cc2C)C1 ZINC001033624573 1341907938 /nfs/dbraw/zinc/90/79/38/1341907938.db2.gz NOZBTAOLVWUXKC-CQSZACIVSA-N 1 2 326.893 3.193 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cncc3ccccc32)C1 ZINC001033681629 1341947927 /nfs/dbraw/zinc/94/79/27/1341947927.db2.gz VMPKNMWHICXJSV-OAHLLOKOSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cncc3ccccc32)C1 ZINC001033681629 1341947928 /nfs/dbraw/zinc/94/79/28/1341947928.db2.gz VMPKNMWHICXJSV-OAHLLOKOSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001033687628 1341952574 /nfs/dbraw/zinc/95/25/74/1341952574.db2.gz AVLGNXLBMZDROB-KRWDZBQOSA-N 1 2 332.875 3.312 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001033687628 1341952577 /nfs/dbraw/zinc/95/25/77/1341952577.db2.gz AVLGNXLBMZDROB-KRWDZBQOSA-N 1 2 332.875 3.312 20 30 EGEDLO CCN(C(=O)c1ccc(C)o1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033751236 1341995673 /nfs/dbraw/zinc/99/56/73/1341995673.db2.gz GNXGPXYKLIZTKR-GOSISDBHSA-N 1 2 337.423 3.196 20 30 EGEDLO CCN(C(=O)c1ccc(C)o1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033751236 1341995674 /nfs/dbraw/zinc/99/56/74/1341995674.db2.gz GNXGPXYKLIZTKR-GOSISDBHSA-N 1 2 337.423 3.196 20 30 EGEDLO CCN(C(=O)[C@H]1C[C@@H]1C)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033925806 1342091579 /nfs/dbraw/zinc/09/15/79/1342091579.db2.gz XJFJWZKQZQKFNA-JQHSSLGASA-N 1 2 344.886 3.270 20 30 EGEDLO CCN(C(=O)[C@H]1C[C@@H]1C)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033925806 1342091580 /nfs/dbraw/zinc/09/15/80/1342091580.db2.gz XJFJWZKQZQKFNA-JQHSSLGASA-N 1 2 344.886 3.270 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cccc(OC)c2C)C1 ZINC001033969150 1342120124 /nfs/dbraw/zinc/12/01/24/1342120124.db2.gz UEOLZQOUNOGIMF-HNNXBMFYSA-N 1 2 336.863 3.293 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(OC)c2C)C1 ZINC001033969150 1342120125 /nfs/dbraw/zinc/12/01/25/1342120125.db2.gz UEOLZQOUNOGIMF-HNNXBMFYSA-N 1 2 336.863 3.293 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3ccn(C)c3c2)C1 ZINC001034004302 1342141552 /nfs/dbraw/zinc/14/15/52/1342141552.db2.gz LPDIGHUXVSQVOL-QGZVFWFLSA-N 1 2 345.874 3.467 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3ccn(C)c3c2)C1 ZINC001034004302 1342141553 /nfs/dbraw/zinc/14/15/53/1342141553.db2.gz LPDIGHUXVSQVOL-QGZVFWFLSA-N 1 2 345.874 3.467 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2nc(C3CC3)oc2C)C1 ZINC001034003537 1342141761 /nfs/dbraw/zinc/14/17/61/1342141761.db2.gz DRDAMHAVVZWNCM-AWEZNQCLSA-N 1 2 337.851 3.149 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2nc(C3CC3)oc2C)C1 ZINC001034003537 1342141763 /nfs/dbraw/zinc/14/17/63/1342141763.db2.gz DRDAMHAVVZWNCM-AWEZNQCLSA-N 1 2 337.851 3.149 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC001034004593 1342142520 /nfs/dbraw/zinc/14/25/20/1342142520.db2.gz QSZLCRCXYRHONY-HNNXBMFYSA-N 1 2 346.862 3.160 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC001034004593 1342142521 /nfs/dbraw/zinc/14/25/21/1342142521.db2.gz QSZLCRCXYRHONY-HNNXBMFYSA-N 1 2 346.862 3.160 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cccc(N(C)C)c2)C1 ZINC001034027290 1342166366 /nfs/dbraw/zinc/16/63/66/1342166366.db2.gz YHBCYESGBBQXKF-KRWDZBQOSA-N 1 2 335.879 3.042 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(N(C)C)c2)C1 ZINC001034027290 1342166368 /nfs/dbraw/zinc/16/63/68/1342166368.db2.gz YHBCYESGBBQXKF-KRWDZBQOSA-N 1 2 335.879 3.042 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2c(C)nsc2C)C1 ZINC001034051906 1342193473 /nfs/dbraw/zinc/19/34/73/1342193473.db2.gz DIDKWFBUHJAKGZ-CYBMUJFWSA-N 1 2 327.881 3.049 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2c(C)nsc2C)C1 ZINC001034051906 1342193475 /nfs/dbraw/zinc/19/34/75/1342193475.db2.gz DIDKWFBUHJAKGZ-CYBMUJFWSA-N 1 2 327.881 3.049 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@@H](NC(=O)C2CCCC2)C1 ZINC001034064795 1342203104 /nfs/dbraw/zinc/20/31/04/1342203104.db2.gz MFIHMQVNSJOQKG-LJQANCHMSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H](NC(=O)C2CCCC2)C1 ZINC001034064795 1342203111 /nfs/dbraw/zinc/20/31/11/1342203111.db2.gz MFIHMQVNSJOQKG-LJQANCHMSA-N 1 2 343.446 3.358 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001034267236 1342358411 /nfs/dbraw/zinc/35/84/11/1342358411.db2.gz UCGCHKLWIUVZDF-UKRRQHHQSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001034267236 1342358412 /nfs/dbraw/zinc/35/84/12/1342358412.db2.gz UCGCHKLWIUVZDF-UKRRQHHQSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001034351845 1342421685 /nfs/dbraw/zinc/42/16/85/1342421685.db2.gz UNCVPAGZRXLIEQ-HOCLYGCPSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001034351845 1342421690 /nfs/dbraw/zinc/42/16/90/1342421690.db2.gz UNCVPAGZRXLIEQ-HOCLYGCPSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cccc(F)c2F)C1 ZINC001034368522 1342438625 /nfs/dbraw/zinc/43/86/25/1342438625.db2.gz KWYALGWGAANFTE-GFCCVEGCSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(F)c2F)C1 ZINC001034368522 1342438629 /nfs/dbraw/zinc/43/86/29/1342438629.db2.gz KWYALGWGAANFTE-GFCCVEGCSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2c(F)cc(F)cc2F)C1 ZINC001034375279 1342443998 /nfs/dbraw/zinc/44/39/98/1342443998.db2.gz NUPRRRNWWKBLRR-GFCCVEGCSA-N 1 2 346.780 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2c(F)cc(F)cc2F)C1 ZINC001034375279 1342444001 /nfs/dbraw/zinc/44/40/01/1342444001.db2.gz NUPRRRNWWKBLRR-GFCCVEGCSA-N 1 2 346.780 3.441 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@@H+](Cc3nc(C)oc3C)C2)C1 ZINC001034388006 1342457857 /nfs/dbraw/zinc/45/78/57/1342457857.db2.gz ANEFUSWLKUDOGQ-MRXNPFEDSA-N 1 2 331.460 3.118 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@H+](Cc3nc(C)oc3C)C2)C1 ZINC001034388006 1342457859 /nfs/dbraw/zinc/45/78/59/1342457859.db2.gz ANEFUSWLKUDOGQ-MRXNPFEDSA-N 1 2 331.460 3.118 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cc(Cl)cn2CC)C1 ZINC001034537153 1342593697 /nfs/dbraw/zinc/59/36/97/1342593697.db2.gz GFEITGDNASFZHV-AWEZNQCLSA-N 1 2 344.286 3.498 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cc(Cl)cn2CC)C1 ZINC001034537153 1342593702 /nfs/dbraw/zinc/59/37/02/1342593702.db2.gz GFEITGDNASFZHV-AWEZNQCLSA-N 1 2 344.286 3.498 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC001035584980 1343094727 /nfs/dbraw/zinc/09/47/27/1343094727.db2.gz ARGDAAKDECDVDM-CYBMUJFWSA-N 1 2 343.254 3.000 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC001035584980 1343094733 /nfs/dbraw/zinc/09/47/33/1343094733.db2.gz ARGDAAKDECDVDM-CYBMUJFWSA-N 1 2 343.254 3.000 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cc(F)ccc1F)CC2 ZINC001035723042 1343152356 /nfs/dbraw/zinc/15/23/56/1343152356.db2.gz CYYLOQWZLRJDOA-UHFFFAOYSA-N 1 2 340.801 3.255 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cc(C(C)C)on1)CC2 ZINC001035759246 1343173611 /nfs/dbraw/zinc/17/36/11/1343173611.db2.gz RMPHCXKXFPHEEO-UHFFFAOYSA-N 1 2 337.851 3.089 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC2(C[NH+](Cc3cncc(F)c3)C2)CC1 ZINC001035762998 1343176764 /nfs/dbraw/zinc/17/67/64/1343176764.db2.gz ZDHAOAFQBOLZIZ-UHFFFAOYSA-N 1 2 345.462 3.247 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC2(C[NH+](Cc3nccs3)C2)CC1 ZINC001035781900 1343192792 /nfs/dbraw/zinc/19/27/92/1343192792.db2.gz CDUJNTQHUOAETG-KRWDZBQOSA-N 1 2 333.501 3.170 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC2(C[NH+](Cc3ncc(C)s3)C2)CC1 ZINC001035781837 1343192814 /nfs/dbraw/zinc/19/28/14/1343192814.db2.gz AKFIRRRRKCBJDA-SFHVURJKSA-N 1 2 347.528 3.478 20 30 EGEDLO C=C1CCC(C(=O)N2CCC3(C[NH+](Cc4ncc(C)o4)C3)CC2)CC1 ZINC001035787238 1343198504 /nfs/dbraw/zinc/19/85/04/1343198504.db2.gz NKKMAMPAGHDODV-UHFFFAOYSA-N 1 2 343.471 3.154 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1occc1Cl)CC2 ZINC001035788308 1343200130 /nfs/dbraw/zinc/20/01/30/1343200130.db2.gz XPMKNXKHTJWUJI-UHFFFAOYSA-N 1 2 329.227 3.224 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C1Cc3ccccc3C1)CC2 ZINC001035805939 1343207592 /nfs/dbraw/zinc/20/75/92/1343207592.db2.gz PIOMMDUROHIZBC-UHFFFAOYSA-N 1 2 344.886 3.078 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H](C)Cc1ccco1)CC2 ZINC001035814832 1343212810 /nfs/dbraw/zinc/21/28/10/1343212810.db2.gz UICDZJDHTPLWSS-CQSZACIVSA-N 1 2 336.863 3.135 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)CC2 ZINC001035841924 1343224377 /nfs/dbraw/zinc/22/43/77/1343224377.db2.gz VBGXQBPUFMLAIB-ZWKOTPCHSA-N 1 2 344.886 3.467 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038146266 1344298863 /nfs/dbraw/zinc/29/88/63/1344298863.db2.gz QLDMQWXFPBITNH-WBMJQRKESA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038146266 1344298869 /nfs/dbraw/zinc/29/88/69/1344298869.db2.gz QLDMQWXFPBITNH-WBMJQRKESA-N 1 2 342.830 3.105 20 30 EGEDLO Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)c1F ZINC001038276481 1344352856 /nfs/dbraw/zinc/35/28/56/1344352856.db2.gz OGYVNHOLVQSQED-KRWDZBQOSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)c1F ZINC001038276481 1344352862 /nfs/dbraw/zinc/35/28/62/1344352862.db2.gz OGYVNHOLVQSQED-KRWDZBQOSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)c(C)s1 ZINC001038478663 1344443169 /nfs/dbraw/zinc/44/31/69/1344443169.db2.gz LUFSOFQTHHNFAR-KRWDZBQOSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1cc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)c(C)s1 ZINC001038478663 1344443170 /nfs/dbraw/zinc/44/31/70/1344443170.db2.gz LUFSOFQTHHNFAR-KRWDZBQOSA-N 1 2 339.464 3.241 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)C2CCC3(CC3)CC2)s1 ZINC001038526211 1344467714 /nfs/dbraw/zinc/46/77/14/1344467714.db2.gz HCJLQTJDPBQQIQ-OAHLLOKOSA-N 1 2 343.496 3.281 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)C2CCC3(CC3)CC2)s1 ZINC001038526211 1344467720 /nfs/dbraw/zinc/46/77/20/1344467720.db2.gz HCJLQTJDPBQQIQ-OAHLLOKOSA-N 1 2 343.496 3.281 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2coc(C(F)F)c2)c1 ZINC001038644202 1344519523 /nfs/dbraw/zinc/51/95/23/1344519523.db2.gz JHENSDGNSHQTIS-HNNXBMFYSA-N 1 2 345.349 3.093 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2coc(C(F)F)c2)c1 ZINC001038644202 1344519526 /nfs/dbraw/zinc/51/95/26/1344519526.db2.gz JHENSDGNSHQTIS-HNNXBMFYSA-N 1 2 345.349 3.093 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+]2Cc2cn(C(C)C)nc2C)CC1 ZINC001038669092 1344533142 /nfs/dbraw/zinc/53/31/42/1344533142.db2.gz ZJGDPQLBFJHDRG-IBGZPJMESA-N 1 2 344.503 3.209 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cn(C(C)C)nc2C)CC1 ZINC001038669092 1344533144 /nfs/dbraw/zinc/53/31/44/1344533144.db2.gz ZJGDPQLBFJHDRG-IBGZPJMESA-N 1 2 344.503 3.209 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc(Cl)cs2)c1 ZINC001038767768 1344575539 /nfs/dbraw/zinc/57/55/39/1344575539.db2.gz KUAXKXBZHLWDCD-OAHLLOKOSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc(Cl)cs2)c1 ZINC001038767768 1344575541 /nfs/dbraw/zinc/57/55/41/1344575541.db2.gz KUAXKXBZHLWDCD-OAHLLOKOSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccc(CF)cc2)c1 ZINC001039066401 1344749423 /nfs/dbraw/zinc/74/94/23/1344749423.db2.gz GSGNFTGGTOPIKB-IBGZPJMESA-N 1 2 337.398 3.032 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccc(CF)cc2)c1 ZINC001039066401 1344749427 /nfs/dbraw/zinc/74/94/27/1344749427.db2.gz GSGNFTGGTOPIKB-IBGZPJMESA-N 1 2 337.398 3.032 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1F ZINC001039465765 1345083782 /nfs/dbraw/zinc/08/37/82/1345083782.db2.gz ZBDRDUYTSPCSNM-CVEARBPZSA-N 1 2 336.838 3.186 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1F ZINC001039465765 1345083784 /nfs/dbraw/zinc/08/37/84/1345083784.db2.gz ZBDRDUYTSPCSNM-CVEARBPZSA-N 1 2 336.838 3.186 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)N(c3nc(C)[nH+]c(C)c3C)C2)C1 ZINC001039802519 1345192047 /nfs/dbraw/zinc/19/20/47/1345192047.db2.gz SVJRYLINEPXNIA-CXAGYDPISA-N 1 2 342.487 3.232 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccn2)CC1 ZINC001039892029 1345235194 /nfs/dbraw/zinc/23/51/94/1345235194.db2.gz RXGUDWHZODIXCS-BGYRXZFFSA-N 1 2 339.483 3.393 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccn2)CC1 ZINC001039892029 1345235196 /nfs/dbraw/zinc/23/51/96/1345235196.db2.gz RXGUDWHZODIXCS-BGYRXZFFSA-N 1 2 339.483 3.393 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@@H](C)[C@H](CNc3cc[nH+]c(C)n3)C2)C1 ZINC001039894425 1345237453 /nfs/dbraw/zinc/23/74/53/1345237453.db2.gz YNHPPJUHIKDXSR-GDBMZVCRSA-N 1 2 328.460 3.038 20 30 EGEDLO CCC1(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cccc(C#N)c2)CC1 ZINC001039898355 1345240033 /nfs/dbraw/zinc/24/00/33/1345240033.db2.gz GAEDXAFBOYNANN-KDURUIRLSA-N 1 2 337.467 3.314 20 30 EGEDLO CCC1(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cccc(C#N)c2)CC1 ZINC001039898355 1345240037 /nfs/dbraw/zinc/24/00/37/1345240037.db2.gz GAEDXAFBOYNANN-KDURUIRLSA-N 1 2 337.467 3.314 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cncc(C)c2)C1 ZINC001039906234 1345243654 /nfs/dbraw/zinc/24/36/54/1345243654.db2.gz KFJPHZHABCTESP-KDURUIRLSA-N 1 2 339.483 3.312 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cncc(C)c2)C1 ZINC001039906234 1345243658 /nfs/dbraw/zinc/24/36/58/1345243658.db2.gz KFJPHZHABCTESP-KDURUIRLSA-N 1 2 339.483 3.312 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC2(C1)CC[NH+]([C@H](C)c1csnn1)CC2 ZINC001040801490 1345579508 /nfs/dbraw/zinc/57/95/08/1345579508.db2.gz VJMRLWUZJQNYEY-CQSZACIVSA-N 1 2 348.516 3.126 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(Cl)o3)C[C@H]21 ZINC001041942636 1345904437 /nfs/dbraw/zinc/90/44/37/1345904437.db2.gz OMXHKAMEBRUANB-NWDGAFQWSA-N 1 2 329.227 3.222 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(Cl)o3)C[C@H]21 ZINC001041942636 1345904438 /nfs/dbraw/zinc/90/44/38/1345904438.db2.gz OMXHKAMEBRUANB-NWDGAFQWSA-N 1 2 329.227 3.222 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3coc(C4CC4)n3)[C@H]2C1 ZINC001042184025 1345971696 /nfs/dbraw/zinc/97/16/96/1345971696.db2.gz SMTWKMMTYICYAS-PBHICJAKSA-N 1 2 343.471 3.187 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3coc(C4CC4)n3)[C@H]2C1 ZINC001042184025 1345971697 /nfs/dbraw/zinc/97/16/97/1345971697.db2.gz SMTWKMMTYICYAS-PBHICJAKSA-N 1 2 343.471 3.187 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3coc(C4CC4)n3)[C@@H]2C1 ZINC001042184026 1345972302 /nfs/dbraw/zinc/97/23/02/1345972302.db2.gz SMTWKMMTYICYAS-RHSMWYFYSA-N 1 2 343.471 3.187 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3coc(C4CC4)n3)[C@@H]2C1 ZINC001042184026 1345972303 /nfs/dbraw/zinc/97/23/03/1345972303.db2.gz SMTWKMMTYICYAS-RHSMWYFYSA-N 1 2 343.471 3.187 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4cscn4)[C@@H]3C2)CC1 ZINC001042213201 1345988555 /nfs/dbraw/zinc/98/85/55/1345988555.db2.gz DSMWFNSRTJJFLJ-CRAIPNDOSA-N 1 2 345.512 3.312 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cscn4)[C@@H]3C2)CC1 ZINC001042213201 1345988556 /nfs/dbraw/zinc/98/85/56/1345988556.db2.gz DSMWFNSRTJJFLJ-CRAIPNDOSA-N 1 2 345.512 3.312 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3oc(C4CC4)nc3C)C[C@H]21 ZINC001042265748 1346011988 /nfs/dbraw/zinc/01/19/88/1346011988.db2.gz IYCCUBXBIUZKFG-UKRRQHHQSA-N 1 2 349.862 3.149 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3oc(C4CC4)nc3C)C[C@H]21 ZINC001042265748 1346011991 /nfs/dbraw/zinc/01/19/91/1346011991.db2.gz IYCCUBXBIUZKFG-UKRRQHHQSA-N 1 2 349.862 3.149 20 30 EGEDLO C=C1CCC(C(=O)N(C)C2C[NH+](Cc3ccc(OC)c(C)c3)C2)CC1 ZINC001043759835 1346204782 /nfs/dbraw/zinc/20/47/82/1346204782.db2.gz KYVFPIUFLQDISR-UHFFFAOYSA-N 1 2 342.483 3.393 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C)C1CC1 ZINC001079537895 1357293687 /nfs/dbraw/zinc/29/36/87/1357293687.db2.gz KLTLAYSXKXYJMG-SPYBWZPUSA-N 1 2 344.886 3.174 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C)C1CC1 ZINC001079537895 1357293690 /nfs/dbraw/zinc/29/36/90/1357293690.db2.gz KLTLAYSXKXYJMG-SPYBWZPUSA-N 1 2 344.886 3.174 20 30 EGEDLO CC[C@@H](F)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1C#N ZINC001045827284 1346710464 /nfs/dbraw/zinc/71/04/64/1346710464.db2.gz GQBANZKJWGYNQW-FGTMMUONSA-N 1 2 347.409 3.011 20 30 EGEDLO CC[C@@H](F)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1C#N ZINC001045827284 1346710465 /nfs/dbraw/zinc/71/04/65/1346710465.db2.gz GQBANZKJWGYNQW-FGTMMUONSA-N 1 2 347.409 3.011 20 30 EGEDLO CC1(C)C[C@@H]1C(=O)N[C@@]1(C)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001046237724 1346904448 /nfs/dbraw/zinc/90/44/48/1346904448.db2.gz ARPIJLJOIZGITH-UZLBHIALSA-N 1 2 344.886 3.318 20 30 EGEDLO CC1(C)C[C@@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001046237724 1346904450 /nfs/dbraw/zinc/90/44/50/1346904450.db2.gz ARPIJLJOIZGITH-UZLBHIALSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc3scnc3c2)C1 ZINC001046740555 1347078280 /nfs/dbraw/zinc/07/82/80/1347078280.db2.gz AOSJUAUUSIAZBN-INIZCTEOSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc3scnc3c2)C1 ZINC001046740555 1347078283 /nfs/dbraw/zinc/07/82/83/1347078283.db2.gz AOSJUAUUSIAZBN-INIZCTEOSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc3c(C)cccn3c2)C1 ZINC001046771379 1347092935 /nfs/dbraw/zinc/09/29/35/1347092935.db2.gz MBYXWRHDNMFTPR-GOSISDBHSA-N 1 2 331.847 3.194 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc3c(C)cccn3c2)C1 ZINC001046771379 1347092937 /nfs/dbraw/zinc/09/29/37/1347092937.db2.gz MBYXWRHDNMFTPR-GOSISDBHSA-N 1 2 331.847 3.194 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc3c(cccc3OC)[nH]2)C1 ZINC001046833765 1347123370 /nfs/dbraw/zinc/12/33/70/1347123370.db2.gz IMZZJDLRCLCCDP-SFHVURJKSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc3c(cccc3OC)[nH]2)C1 ZINC001046833765 1347123371 /nfs/dbraw/zinc/12/33/71/1347123371.db2.gz IMZZJDLRCLCCDP-SFHVURJKSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(N(C)CC)cc2)C1 ZINC001046870143 1347140303 /nfs/dbraw/zinc/14/03/03/1347140303.db2.gz IOXJWPYKTHFHOH-SFHVURJKSA-N 1 2 335.879 3.089 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(N(C)CC)cc2)C1 ZINC001046870143 1347140305 /nfs/dbraw/zinc/14/03/05/1347140305.db2.gz IOXJWPYKTHFHOH-SFHVURJKSA-N 1 2 335.879 3.089 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001046925245 1347154316 /nfs/dbraw/zinc/15/43/16/1347154316.db2.gz HMQSWWZOVBYIOW-KBXIAJHMSA-N 1 2 346.849 3.249 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001046925245 1347154318 /nfs/dbraw/zinc/15/43/18/1347154318.db2.gz HMQSWWZOVBYIOW-KBXIAJHMSA-N 1 2 346.849 3.249 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc2cnccc2o1 ZINC001049571033 1347915505 /nfs/dbraw/zinc/91/55/05/1347915505.db2.gz BHXCVBBFPDDJOI-LSDHHAIUSA-N 1 2 345.830 3.259 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc2cnccc2o1 ZINC001049571033 1347915506 /nfs/dbraw/zinc/91/55/06/1347915506.db2.gz 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C=C1CC(C)(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3Cc2nccs2)C1 ZINC001049708212 1347984601 /nfs/dbraw/zinc/98/46/01/1347984601.db2.gz OQKUZPBZNRLUHA-CABCVRRESA-N 1 2 331.485 3.065 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1coc(CC2CC2)n1 ZINC001049825866 1348042005 /nfs/dbraw/zinc/04/20/05/1348042005.db2.gz GEWLQMMIKVNUCV-HZPDHXFCSA-N 1 2 349.862 3.059 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1coc(CC2CC2)n1 ZINC001049825866 1348042008 /nfs/dbraw/zinc/04/20/08/1348042008.db2.gz GEWLQMMIKVNUCV-HZPDHXFCSA-N 1 2 349.862 3.059 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc4ncccc4o3)[C@@H]2C1 ZINC001050098625 1348182887 /nfs/dbraw/zinc/18/28/87/1348182887.db2.gz VNPYTFOLZVQJGI-DZGCQCFKSA-N 1 2 345.830 3.117 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc4ncccc4o3)[C@@H]2C1 ZINC001050098625 1348182888 /nfs/dbraw/zinc/18/28/88/1348182888.db2.gz VNPYTFOLZVQJGI-DZGCQCFKSA-N 1 2 345.830 3.117 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCOC2(C[NH+]([C@H](C)c3cccc(C)c3)C2)C1 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ZINC001060053819 1350704771 /nfs/dbraw/zinc/70/47/71/1350704771.db2.gz AXDPZVYKSCYVLO-AWEZNQCLSA-N 1 2 336.867 3.214 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCC[C@@H](Nc3cc[nH+]c(C)n3)C2)CC1 ZINC001061129714 1351295624 /nfs/dbraw/zinc/29/56/24/1351295624.db2.gz DGUSQYZEFOHYSG-SJORKVTESA-N 1 2 328.460 3.371 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H](CN(C)c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001062158333 1351468146 /nfs/dbraw/zinc/46/81/46/1351468146.db2.gz DBOFIKQBFIABMI-INIZCTEOSA-N 1 2 344.503 3.405 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]c(C(C)C)n1 ZINC001062571673 1351595599 /nfs/dbraw/zinc/59/55/99/1351595599.db2.gz ONAXYRXTXRAPTI-TWOQFEAHSA-N 1 2 342.487 3.300 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]c(C2CC2)n1 ZINC001062571206 1351595691 /nfs/dbraw/zinc/59/56/91/1351595691.db2.gz IEOCBKMAMLYMNL-TWOQFEAHSA-N 1 2 340.471 3.054 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001080473525 1357633464 /nfs/dbraw/zinc/63/34/64/1357633464.db2.gz RRKJTOAECOEUJC-FXRXJOCMSA-N 1 2 344.886 3.174 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001080473525 1357633469 /nfs/dbraw/zinc/63/34/69/1357633469.db2.gz RRKJTOAECOEUJC-FXRXJOCMSA-N 1 2 344.886 3.174 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)[C@@H]2C1 ZINC001064695694 1352668201 /nfs/dbraw/zinc/66/82/01/1352668201.db2.gz SFYMZXHHWQRCDJ-DLBZAZTESA-N 1 2 342.487 3.041 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]c(CC)n1 ZINC001065160166 1352746625 /nfs/dbraw/zinc/74/66/25/1352746625.db2.gz GUXYGHNQEKPWBS-CVEARBPZSA-N 1 2 342.487 3.129 20 30 EGEDLO CCC1(Nc2cc(C)[nH+]c(C(C)C)n2)CCN(C(=O)[C@H](C)C#N)CC1 ZINC001066821266 1353235130 /nfs/dbraw/zinc/23/51/30/1353235130.db2.gz JNRDFBYFKSRTNW-CQSZACIVSA-N 1 2 343.475 3.251 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001067793269 1353526032 /nfs/dbraw/zinc/52/60/32/1353526032.db2.gz IWKFEBGKFRTCRV-XLIONFOSSA-N 1 2 344.503 3.431 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC(N(C)c2nc(C)[nH+]c(C)c2C)CC1 ZINC001068712385 1353763117 /nfs/dbraw/zinc/76/31/17/1353763117.db2.gz JJICMZBQWIFGCF-UHFFFAOYSA-N 1 2 330.476 3.041 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(OC)c(C3CC3)c2)C1 ZINC001080689250 1357722548 /nfs/dbraw/zinc/72/25/48/1357722548.db2.gz SZKZJWOFLMNBES-SJKOYZFVSA-N 1 2 348.874 3.375 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(OC)c(C3CC3)c2)C1 ZINC001080689250 1357722550 /nfs/dbraw/zinc/72/25/50/1357722550.db2.gz SZKZJWOFLMNBES-SJKOYZFVSA-N 1 2 348.874 3.375 20 30 EGEDLO C=C(C)CC[N@@H+]1Cc2cnn(C3CCN(C(=O)/C(C)=C\C)CC3)c2C1 ZINC001070344711 1354325571 /nfs/dbraw/zinc/32/55/71/1354325571.db2.gz YBUVCILZCUVNBE-BNCCVWRVSA-N 1 2 342.487 3.295 20 30 EGEDLO C=C(C)CC[N@H+]1Cc2cnn(C3CCN(C(=O)/C(C)=C\C)CC3)c2C1 ZINC001070344711 1354325573 /nfs/dbraw/zinc/32/55/73/1354325573.db2.gz YBUVCILZCUVNBE-BNCCVWRVSA-N 1 2 342.487 3.295 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1)C(=O)c1occc1Cl ZINC001085802633 1358778468 /nfs/dbraw/zinc/77/84/68/1358778468.db2.gz YIOXKJPBKBYGIO-OAHLLOKOSA-N 1 2 343.814 3.151 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1cccc(C#N)c1)C(=O)c1occc1Cl ZINC001085802633 1358778472 /nfs/dbraw/zinc/77/84/72/1358778472.db2.gz YIOXKJPBKBYGIO-OAHLLOKOSA-N 1 2 343.814 3.151 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2cc(C)ns2)CC1 ZINC001085802523 1358778542 /nfs/dbraw/zinc/77/85/42/1358778542.db2.gz WJXQDHJJHLNGKT-MRXNPFEDSA-N 1 2 333.501 3.231 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2cc(C)ns2)CC1 ZINC001085802523 1358778544 /nfs/dbraw/zinc/77/85/44/1358778544.db2.gz WJXQDHJJHLNGKT-MRXNPFEDSA-N 1 2 333.501 3.231 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C2CC2)C[N@@H+]1CC#Cc1ccccc1Cl ZINC001071296940 1354549613 /nfs/dbraw/zinc/54/96/13/1354549613.db2.gz ORMDGUSPQUTDKQ-PBHICJAKSA-N 1 2 330.859 3.071 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C2CC2)C[N@H+]1CC#Cc1ccccc1Cl ZINC001071296940 1354549615 /nfs/dbraw/zinc/54/96/15/1354549615.db2.gz ORMDGUSPQUTDKQ-PBHICJAKSA-N 1 2 330.859 3.071 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)c2ccco2)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC001071312613 1354572246 /nfs/dbraw/zinc/57/22/46/1354572246.db2.gz MVNSXCGLCVHQIH-CZUORRHYSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)c2ccco2)C[N@H+]1Cc1cc(C#N)ccc1F ZINC001071312613 1354572249 /nfs/dbraw/zinc/57/22/49/1354572249.db2.gz MVNSXCGLCVHQIH-CZUORRHYSA-N 1 2 341.386 3.073 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccsc2COC)CC[C@@H]1C ZINC001071608662 1354794177 /nfs/dbraw/zinc/79/41/77/1354794177.db2.gz CKVSLQGEXWCNBX-STQMWFEESA-N 1 2 342.892 3.230 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccsc2COC)CC[C@@H]1C ZINC001071608662 1354794180 /nfs/dbraw/zinc/79/41/80/1354794180.db2.gz CKVSLQGEXWCNBX-STQMWFEESA-N 1 2 342.892 3.230 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cccnc2C2CC2)CC[C@H]1C ZINC001071647320 1354825403 /nfs/dbraw/zinc/82/54/03/1354825403.db2.gz GSPNMBMWOZIWNK-HIFRSBDPSA-N 1 2 333.863 3.294 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cccnc2C2CC2)CC[C@H]1C ZINC001071647320 1354825407 /nfs/dbraw/zinc/82/54/07/1354825407.db2.gz GSPNMBMWOZIWNK-HIFRSBDPSA-N 1 2 333.863 3.294 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccnc(C3CC3)c2)CC[C@H]1C ZINC001071652908 1354828717 /nfs/dbraw/zinc/82/87/17/1354828717.db2.gz QGNUPGSAPNFZQQ-CZUORRHYSA-N 1 2 333.863 3.294 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccnc(C3CC3)c2)CC[C@H]1C ZINC001071652908 1354828719 /nfs/dbraw/zinc/82/87/19/1354828719.db2.gz QGNUPGSAPNFZQQ-CZUORRHYSA-N 1 2 333.863 3.294 20 30 EGEDLO Cc1coc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3ccc(C#N)s3)C2)c1 ZINC001071748717 1354899261 /nfs/dbraw/zinc/89/92/61/1354899261.db2.gz QIXJKGZCVDYEHN-UONOGXRCSA-N 1 2 343.452 3.304 20 30 EGEDLO Cc1coc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3ccc(C#N)s3)C2)c1 ZINC001071748717 1354899264 /nfs/dbraw/zinc/89/92/64/1354899264.db2.gz QIXJKGZCVDYEHN-UONOGXRCSA-N 1 2 343.452 3.304 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3ccc(F)cn3)C2)CC1 ZINC001071795006 1354940014 /nfs/dbraw/zinc/94/00/14/1354940014.db2.gz HFYNRBBUWPQQFM-KXBFYZLASA-N 1 2 345.462 3.436 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3ccc(F)cn3)C2)CC1 ZINC001071795006 1354940018 /nfs/dbraw/zinc/94/00/18/1354940018.db2.gz HFYNRBBUWPQQFM-KXBFYZLASA-N 1 2 345.462 3.436 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C(C)(C)C)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC001072016158 1355079682 /nfs/dbraw/zinc/07/96/82/1355079682.db2.gz NFJFHFGWZNUXSP-XJKSGUPXSA-N 1 2 331.435 3.213 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C(C)(C)C)C[N@H+]1Cc1cc(C#N)ccc1F ZINC001072016158 1355079684 /nfs/dbraw/zinc/07/96/84/1355079684.db2.gz NFJFHFGWZNUXSP-XJKSGUPXSA-N 1 2 331.435 3.213 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccc(N(C)C)c2)CC[C@@H]1C ZINC001072023044 1355085273 /nfs/dbraw/zinc/08/52/73/1355085273.db2.gz KUDURTWCOITCFA-GOEBONIOSA-N 1 2 335.879 3.088 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cccc(N(C)C)c2)CC[C@@H]1C ZINC001072023044 1355085276 /nfs/dbraw/zinc/08/52/76/1355085276.db2.gz KUDURTWCOITCFA-GOEBONIOSA-N 1 2 335.879 3.088 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(F)cn1 ZINC001089630450 1360547519 /nfs/dbraw/zinc/54/75/19/1360547519.db2.gz JONDTQCAQUUTLI-AWEZNQCLSA-N 1 2 339.842 3.194 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(F)cn1 ZINC001089630450 1360547521 /nfs/dbraw/zinc/54/75/21/1360547521.db2.gz JONDTQCAQUUTLI-AWEZNQCLSA-N 1 2 339.842 3.194 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)CC3CCCC3)C2)C1 ZINC001072416552 1355280084 /nfs/dbraw/zinc/28/00/84/1355280084.db2.gz NEWYMGAAKMHCOE-UHFFFAOYSA-N 1 2 341.293 3.010 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)CC3CCCC3)C2)C1 ZINC001072416552 1355280086 /nfs/dbraw/zinc/28/00/86/1355280086.db2.gz NEWYMGAAKMHCOE-UHFFFAOYSA-N 1 2 341.293 3.010 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001073617746 1355846322 /nfs/dbraw/zinc/84/63/22/1355846322.db2.gz LPGTYKYGEXDFOF-IAGOWNOFSA-N 1 2 340.895 3.083 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001073617746 1355846323 /nfs/dbraw/zinc/84/63/23/1355846323.db2.gz LPGTYKYGEXDFOF-IAGOWNOFSA-N 1 2 340.895 3.083 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)C[C@H]21 ZINC001074370582 1356188276 /nfs/dbraw/zinc/18/82/76/1356188276.db2.gz CHVSCQVQIPDUBE-WTGUMLROSA-N 1 2 348.531 3.327 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)C[C@H]21 ZINC001074370582 1356188280 /nfs/dbraw/zinc/18/82/80/1356188280.db2.gz CHVSCQVQIPDUBE-WTGUMLROSA-N 1 2 348.531 3.327 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C4CC4)cc3)C[C@@H]21 ZINC001074410816 1356195657 /nfs/dbraw/zinc/19/56/57/1356195657.db2.gz YGNDNFNJUMXQQY-VQTJNVASSA-N 1 2 340.467 3.055 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C4CC4)cc3)C[C@@H]21 ZINC001074410816 1356195659 /nfs/dbraw/zinc/19/56/59/1356195659.db2.gz YGNDNFNJUMXQQY-VQTJNVASSA-N 1 2 340.467 3.055 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC2CCC2)C3)c(F)c1 ZINC001096914527 1362773637 /nfs/dbraw/zinc/77/36/37/1362773637.db2.gz XIKDDSGAMWZULD-QRQLOZEOSA-N 1 2 341.430 3.109 20 30 EGEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC2CCC2)C3)c(F)c1 ZINC001096914527 1362773640 /nfs/dbraw/zinc/77/36/40/1362773640.db2.gz XIKDDSGAMWZULD-QRQLOZEOSA-N 1 2 341.430 3.109 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4ncccc4c3)[C@@H]2C1 ZINC001076198518 1356518097 /nfs/dbraw/zinc/51/80/97/1356518097.db2.gz ADYWOSXAZQEXKQ-FUHWJXTLSA-N 1 2 341.842 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4ncccc4c3)[C@@H]2C1 ZINC001076198518 1356518101 /nfs/dbraw/zinc/51/81/01/1356518101.db2.gz ADYWOSXAZQEXKQ-FUHWJXTLSA-N 1 2 341.842 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4ccsc4[nH]3)[C@@H]2C1 ZINC001084561627 1358238429 /nfs/dbraw/zinc/23/84/29/1358238429.db2.gz MRCXBEBBFSVZFH-TZMCWYRMSA-N 1 2 335.860 3.128 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc4ccsc4[nH]3)[C@@H]2C1 ZINC001084561627 1358238431 /nfs/dbraw/zinc/23/84/31/1358238431.db2.gz MRCXBEBBFSVZFH-TZMCWYRMSA-N 1 2 335.860 3.128 20 30 EGEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](CC=C(Cl)Cl)C[C@H]32)cc1 ZINC001084567693 1358239614 /nfs/dbraw/zinc/23/96/14/1358239614.db2.gz DZRNJWZVCFTIHX-HZPDHXFCSA-N 1 2 349.261 3.133 20 30 EGEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](CC=C(Cl)Cl)C[C@H]32)cc1 ZINC001084567693 1358239618 /nfs/dbraw/zinc/23/96/18/1358239618.db2.gz DZRNJWZVCFTIHX-HZPDHXFCSA-N 1 2 349.261 3.133 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(F)c3F)C[C@H]21 ZINC001084578248 1358242807 /nfs/dbraw/zinc/24/28/07/1358242807.db2.gz RVKKJQABVKLMRO-CZUORRHYSA-N 1 2 334.410 3.210 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(F)c3F)C[C@H]21 ZINC001084578248 1358242811 /nfs/dbraw/zinc/24/28/11/1358242811.db2.gz RVKKJQABVKLMRO-CZUORRHYSA-N 1 2 334.410 3.210 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3[C@H]4CCCCCC[C@H]34)[C@@H]2C1 ZINC001084680635 1358277591 /nfs/dbraw/zinc/27/75/91/1358277591.db2.gz WJQGKIMMRAPYDF-LTIDMASMSA-N 1 2 336.907 3.488 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3[C@H]4CCCCCC[C@H]34)[C@@H]2C1 ZINC001084680635 1358277595 /nfs/dbraw/zinc/27/75/95/1358277595.db2.gz WJQGKIMMRAPYDF-LTIDMASMSA-N 1 2 336.907 3.488 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCc4ccccc43)[C@@H]2C1 ZINC001084729904 1358293878 /nfs/dbraw/zinc/29/38/78/1358293878.db2.gz ALDXVOOCVOWQPR-YQVWRLOYSA-N 1 2 344.886 3.392 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCc4ccccc43)[C@@H]2C1 ZINC001084729904 1358293886 /nfs/dbraw/zinc/29/38/86/1358293886.db2.gz ALDXVOOCVOWQPR-YQVWRLOYSA-N 1 2 344.886 3.392 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC001084807222 1358315418 /nfs/dbraw/zinc/31/54/18/1358315418.db2.gz FVOJNWWEJVLOFQ-GDBMZVCRSA-N 1 2 339.266 3.168 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC001084807222 1358315420 /nfs/dbraw/zinc/31/54/20/1358315420.db2.gz FVOJNWWEJVLOFQ-GDBMZVCRSA-N 1 2 339.266 3.168 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)c3cccc(OC)c3)[C@@H]2C1 ZINC001084854758 1358329832 /nfs/dbraw/zinc/32/98/32/1358329832.db2.gz XAJHYGSFTXSKEJ-YXJHDRRASA-N 1 2 348.874 3.084 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)c3cccc(OC)c3)[C@@H]2C1 ZINC001084854758 1358329837 /nfs/dbraw/zinc/32/98/37/1358329837.db2.gz XAJHYGSFTXSKEJ-YXJHDRRASA-N 1 2 348.874 3.084 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2noc(C(C)C)n2)C1 ZINC001085325015 1358467870 /nfs/dbraw/zinc/46/78/70/1358467870.db2.gz UTLDOXUPRXDOOK-HUUCEWRRSA-N 1 2 346.475 3.066 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1)C(=O)c1ccccc1 ZINC001085462437 1358516952 /nfs/dbraw/zinc/51/69/52/1358516952.db2.gz FMRFFHYVJNFQMF-GOSISDBHSA-N 1 2 337.398 3.044 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1)C(=O)c1ccccc1 ZINC001085462437 1358516956 /nfs/dbraw/zinc/51/69/56/1358516956.db2.gz FMRFFHYVJNFQMF-GOSISDBHSA-N 1 2 337.398 3.044 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001085525187 1358562695 /nfs/dbraw/zinc/56/26/95/1358562695.db2.gz DBSSEJYIFZECGA-ZSGPHXLJSA-N 1 2 343.496 3.089 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001085525187 1358562698 /nfs/dbraw/zinc/56/26/98/1358562698.db2.gz DBSSEJYIFZECGA-ZSGPHXLJSA-N 1 2 343.496 3.089 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001085525766 1358564007 /nfs/dbraw/zinc/56/40/07/1358564007.db2.gz OAOJBMNMMRVBIL-UWHLTILDSA-N 1 2 336.479 3.007 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001085525766 1358564037 /nfs/dbraw/zinc/56/40/37/1358564037.db2.gz OAOJBMNMMRVBIL-UWHLTILDSA-N 1 2 336.479 3.007 20 30 EGEDLO CCc1occc1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001085571623 1358603342 /nfs/dbraw/zinc/60/33/42/1358603342.db2.gz HZXJDCSVOHIZHF-SFHVURJKSA-N 1 2 336.435 3.040 20 30 EGEDLO CCc1occc1C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001085571623 1358603347 /nfs/dbraw/zinc/60/33/47/1358603347.db2.gz HZXJDCSVOHIZHF-SFHVURJKSA-N 1 2 336.435 3.040 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1CCC(F)(F)C1 ZINC001085633331 1358650062 /nfs/dbraw/zinc/65/00/62/1358650062.db2.gz PYLHIEQWFFIUFB-MSOLQXFVSA-N 1 2 346.421 3.006 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1CCC(F)(F)C1 ZINC001085633331 1358650066 /nfs/dbraw/zinc/65/00/66/1358650066.db2.gz PYLHIEQWFFIUFB-MSOLQXFVSA-N 1 2 346.421 3.006 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1CCCC1(C)C ZINC001085771831 1358743855 /nfs/dbraw/zinc/74/38/55/1358743855.db2.gz KVSHPZCPKQWRCO-UXHICEINSA-N 1 2 338.495 3.397 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1CCCC1(C)C ZINC001085771831 1358743861 /nfs/dbraw/zinc/74/38/61/1358743861.db2.gz KVSHPZCPKQWRCO-UXHICEINSA-N 1 2 338.495 3.397 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@@H]1CCC1(C)C ZINC001085775072 1358746797 /nfs/dbraw/zinc/74/67/97/1358746797.db2.gz OSHLGHAYVDQKHK-MOPGFXCFSA-N 1 2 342.458 3.146 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@@H]1CCC1(C)C ZINC001085775072 1358746799 /nfs/dbraw/zinc/74/67/99/1358746799.db2.gz OSHLGHAYVDQKHK-MOPGFXCFSA-N 1 2 342.458 3.146 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001085806653 1358783422 /nfs/dbraw/zinc/78/34/22/1358783422.db2.gz MZGGWYHJBMDRLG-KBAYOESNSA-N 1 2 343.446 3.166 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001085806653 1358783425 /nfs/dbraw/zinc/78/34/25/1358783425.db2.gz MZGGWYHJBMDRLG-KBAYOESNSA-N 1 2 343.446 3.166 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001085806891 1358784553 /nfs/dbraw/zinc/78/45/53/1358784553.db2.gz STIHJXBRVVMTRG-JKIFEVAISA-N 1 2 331.485 3.089 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001085806891 1358784555 /nfs/dbraw/zinc/78/45/55/1358784555.db2.gz STIHJXBRVVMTRG-JKIFEVAISA-N 1 2 331.485 3.089 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)c1c[nH]cc1C1CC1 ZINC001085900691 1358859344 /nfs/dbraw/zinc/85/93/44/1358859344.db2.gz NBPAHOBPCOSFCG-IBGZPJMESA-N 1 2 347.462 3.090 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)c1c[nH]cc1C1CC1 ZINC001085900691 1358859349 /nfs/dbraw/zinc/85/93/49/1358859349.db2.gz NBPAHOBPCOSFCG-IBGZPJMESA-N 1 2 347.462 3.090 20 30 EGEDLO COc1cc(F)c(C(=O)/C=C\c2ccc[nH+]c2N(C)C)cc1OC ZINC001323546923 1387385028 /nfs/dbraw/zinc/38/50/28/1387385028.db2.gz ZASKTQHQGNRVSL-FPLPWBNLSA-N 1 2 330.359 3.200 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccsc2)[C@H]1CC ZINC001087492747 1359494468 /nfs/dbraw/zinc/49/44/68/1359494468.db2.gz OINNSTJLGWHLGH-QWHCGFSZSA-N 1 2 343.290 3.239 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccsc2)[C@H]1CC ZINC001087492747 1359494470 /nfs/dbraw/zinc/49/44/70/1359494470.db2.gz OINNSTJLGWHLGH-QWHCGFSZSA-N 1 2 343.290 3.239 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(C)noc2C(C)C)[C@H]1CC ZINC001087611117 1359553783 /nfs/dbraw/zinc/55/37/83/1359553783.db2.gz WSSQZYSSJUAVLN-UONOGXRCSA-N 1 2 339.867 3.442 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(C)noc2C(C)C)[C@H]1CC ZINC001087611117 1359553785 /nfs/dbraw/zinc/55/37/85/1359553785.db2.gz WSSQZYSSJUAVLN-UONOGXRCSA-N 1 2 339.867 3.442 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ncoc2C(C)C)[C@H]1CC ZINC001087787452 1359644988 /nfs/dbraw/zinc/64/49/88/1359644988.db2.gz ZHMQEPLCYKQRDB-QWHCGFSZSA-N 1 2 325.840 3.133 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ncoc2C(C)C)[C@H]1CC ZINC001087787452 1359644990 /nfs/dbraw/zinc/64/49/90/1359644990.db2.gz ZHMQEPLCYKQRDB-QWHCGFSZSA-N 1 2 325.840 3.133 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ncccc2Cl)[C@H]1CC ZINC001087804569 1359654721 /nfs/dbraw/zinc/65/47/21/1359654721.db2.gz JGASPFWWKBXFCN-QWHCGFSZSA-N 1 2 328.243 3.070 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ncccc2Cl)[C@H]1CC ZINC001087804569 1359654722 /nfs/dbraw/zinc/65/47/22/1359654722.db2.gz JGASPFWWKBXFCN-QWHCGFSZSA-N 1 2 328.243 3.070 20 30 EGEDLO C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC001088388213 1359866890 /nfs/dbraw/zinc/86/68/90/1359866890.db2.gz PLYKNHNNHMIEEH-AWEZNQCLSA-N 1 2 336.867 3.014 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2CCCCCC2)[C@H]1C ZINC001088490669 1359939934 /nfs/dbraw/zinc/93/99/34/1359939934.db2.gz MJONAFNXVBRRSI-HIFRSBDPSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2CCCCCC2)[C@H]1C ZINC001088490669 1359939937 /nfs/dbraw/zinc/93/99/37/1359939937.db2.gz MJONAFNXVBRRSI-HIFRSBDPSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CC2=CCCCC2)[C@H]1C ZINC001088496317 1359940849 /nfs/dbraw/zinc/94/08/49/1359940849.db2.gz POUDGWJAYHEMSB-HIFRSBDPSA-N 1 2 341.293 3.365 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CC2=CCCCC2)[C@H]1C ZINC001088496317 1359940851 /nfs/dbraw/zinc/94/08/51/1359940851.db2.gz POUDGWJAYHEMSB-HIFRSBDPSA-N 1 2 341.293 3.365 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC2(C)C)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088527937 1359960071 /nfs/dbraw/zinc/96/00/71/1359960071.db2.gz ISWIVTDKETVOIU-HFTRVMKXSA-N 1 2 344.886 3.317 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC2(C)C)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088527937 1359960077 /nfs/dbraw/zinc/96/00/77/1359960077.db2.gz ISWIVTDKETVOIU-HFTRVMKXSA-N 1 2 344.886 3.317 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2=CCCCCC2)[C@H]1C ZINC001088540031 1359964305 /nfs/dbraw/zinc/96/43/05/1359964305.db2.gz FHOJPFFQUHZGHP-HIFRSBDPSA-N 1 2 341.293 3.365 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2=CCCCCC2)[C@H]1C ZINC001088540031 1359964307 /nfs/dbraw/zinc/96/43/07/1359964307.db2.gz FHOJPFFQUHZGHP-HIFRSBDPSA-N 1 2 341.293 3.365 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](CC=C(Cl)Cl)[C@@H]1C ZINC001088623622 1359995289 /nfs/dbraw/zinc/99/52/89/1359995289.db2.gz KURYBGPNKRQUII-OLZOCXBDSA-N 1 2 342.270 3.186 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](CC=C(Cl)Cl)[C@@H]1C ZINC001088623622 1359995294 /nfs/dbraw/zinc/99/52/94/1359995294.db2.gz KURYBGPNKRQUII-OLZOCXBDSA-N 1 2 342.270 3.186 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3nc(C)oc3c2)[C@H]1C ZINC001088636939 1359998217 /nfs/dbraw/zinc/99/82/17/1359998217.db2.gz GGPJGBLOJFEBTO-RISCZKNCSA-N 1 2 333.819 3.081 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3nc(C)oc3c2)[C@H]1C ZINC001088636939 1359998219 /nfs/dbraw/zinc/99/82/19/1359998219.db2.gz GGPJGBLOJFEBTO-RISCZKNCSA-N 1 2 333.819 3.081 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccn(C(C)C)n3)[C@@H]2C)CC1 ZINC001088838692 1360073030 /nfs/dbraw/zinc/07/30/30/1360073030.db2.gz XFTNYLAOTHMCFO-APWZRJJASA-N 1 2 344.503 3.289 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccn(C(C)C)n3)[C@@H]2C)CC1 ZINC001088838692 1360073033 /nfs/dbraw/zinc/07/30/33/1360073033.db2.gz XFTNYLAOTHMCFO-APWZRJJASA-N 1 2 344.503 3.289 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccnc2C(F)(F)F)[C@H]1C ZINC001088882229 1360088855 /nfs/dbraw/zinc/08/88/55/1360088855.db2.gz FOIULKUWBQULKQ-PWSUYJOCSA-N 1 2 347.768 3.046 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccnc2C(F)(F)F)[C@H]1C ZINC001088882229 1360088857 /nfs/dbraw/zinc/08/88/57/1360088857.db2.gz FOIULKUWBQULKQ-PWSUYJOCSA-N 1 2 347.768 3.046 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccc(Cl)s2)[C@H]1C ZINC001088906618 1360101742 /nfs/dbraw/zinc/10/17/42/1360101742.db2.gz DYSYQKUXXLMUIU-PWSUYJOCSA-N 1 2 333.284 3.276 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(Cl)s2)[C@H]1C ZINC001088906618 1360101744 /nfs/dbraw/zinc/10/17/44/1360101744.db2.gz DYSYQKUXXLMUIU-PWSUYJOCSA-N 1 2 333.284 3.276 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3ccn(C)c3c2)[C@H]1C ZINC001088958309 1360114974 /nfs/dbraw/zinc/11/49/74/1360114974.db2.gz VBWKOIXAJUHPRP-CJNGLKHVSA-N 1 2 331.847 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3ccn(C)c3c2)[C@H]1C ZINC001088958309 1360114978 /nfs/dbraw/zinc/11/49/78/1360114978.db2.gz VBWKOIXAJUHPRP-CJNGLKHVSA-N 1 2 331.847 3.123 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc3oc(C)nc32)[C@H]1C ZINC001089067648 1360156820 /nfs/dbraw/zinc/15/68/20/1360156820.db2.gz QBVFOKPCUAAGHZ-RISCZKNCSA-N 1 2 333.819 3.081 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc3oc(C)nc32)[C@H]1C ZINC001089067648 1360156822 /nfs/dbraw/zinc/15/68/22/1360156822.db2.gz QBVFOKPCUAAGHZ-RISCZKNCSA-N 1 2 333.819 3.081 20 30 EGEDLO C=CCCC(=O)N[C@H](C)C[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001089251059 1360282456 /nfs/dbraw/zinc/28/24/56/1360282456.db2.gz SPIBHCIAJDICGQ-KGLIPLIRSA-N 1 2 330.476 3.325 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3csnn3)CC(C)(C)C2)C1 ZINC001089486154 1360467126 /nfs/dbraw/zinc/46/71/26/1360467126.db2.gz VBZPAMLHIZPKTH-AWEZNQCLSA-N 1 2 348.516 3.001 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3csnn3)CC(C)(C)C2)C1 ZINC001089486154 1360467127 /nfs/dbraw/zinc/46/71/27/1360467127.db2.gz VBZPAMLHIZPKTH-AWEZNQCLSA-N 1 2 348.516 3.001 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ncccc1C ZINC001089622293 1360540381 /nfs/dbraw/zinc/54/03/81/1360540381.db2.gz FWUMHNXFZIPTFZ-HNNXBMFYSA-N 1 2 335.879 3.363 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ncccc1C ZINC001089622293 1360540382 /nfs/dbraw/zinc/54/03/82/1360540382.db2.gz FWUMHNXFZIPTFZ-HNNXBMFYSA-N 1 2 335.879 3.363 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCCC[C@@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001089792501 1360665643 /nfs/dbraw/zinc/66/56/43/1360665643.db2.gz XIYSDDZMQYIVCL-GOSISDBHSA-N 1 2 342.487 3.371 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001089794199 1360667109 /nfs/dbraw/zinc/66/71/09/1360667109.db2.gz CORANNZWZPCCKQ-IAGOWNOFSA-N 1 2 330.476 3.205 20 30 EGEDLO Cc1cc(NCC2(CCNC(=O)C#CC3CC3)CC2)nc(C(C)C)[nH+]1 ZINC001089938108 1360753748 /nfs/dbraw/zinc/75/37/48/1360753748.db2.gz PFHXYLKWWWSMNN-UHFFFAOYSA-N 1 2 340.471 3.020 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001092016668 1361274652 /nfs/dbraw/zinc/27/46/52/1361274652.db2.gz BSMNYHMCSYRFQE-ZBFHGGJFSA-N 1 2 330.476 3.088 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)CC(C)(C)C1 ZINC001092086733 1361297264 /nfs/dbraw/zinc/29/72/64/1361297264.db2.gz RWAWFDUOWGMGFQ-OXQOHEQNSA-N 1 2 344.503 3.499 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@]3(C)CC=CCC3)CC2)C1 ZINC001093539611 1361637470 /nfs/dbraw/zinc/63/74/70/1361637470.db2.gz VRNPCDQLQGMKRH-HXUWFJFHSA-N 1 2 332.488 3.001 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[C@@H]3CC[C@H](C)C3)CC2)C1 ZINC001093562531 1361643322 /nfs/dbraw/zinc/64/33/22/1361643322.db2.gz UUIROKXZEOEPDP-DLBZAZTESA-N 1 2 334.504 3.081 20 30 EGEDLO C=CCOCCCC(=O)NCCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001093570614 1361645971 /nfs/dbraw/zinc/64/59/71/1361645971.db2.gz SPNVCXDTAZENSV-UHFFFAOYSA-N 1 2 348.491 3.234 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3c(C)cc(C)cc3C)CC2)C1 ZINC001093595409 1361652368 /nfs/dbraw/zinc/65/23/68/1361652368.db2.gz BOIDNCMAWKTAMC-UHFFFAOYSA-N 1 2 342.483 3.103 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3sccc3CC)CC2)C1 ZINC001093598801 1361653484 /nfs/dbraw/zinc/65/34/84/1361653484.db2.gz FNNSYXFIUXMPLA-UHFFFAOYSA-N 1 2 348.512 3.192 20 30 EGEDLO C#CCC1(C(=O)NCCNc2cc(C)[nH+]c(C3CC3)n2)CCCCC1 ZINC001093689555 1361676528 /nfs/dbraw/zinc/67/65/28/1361676528.db2.gz PBVFRBFBGPBLDP-UHFFFAOYSA-N 1 2 340.471 3.164 20 30 EGEDLO Cc1cc(N2CCC(NC(=O)C#CC(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001095413041 1362132044 /nfs/dbraw/zinc/13/20/44/1362132044.db2.gz VIVRXWGENALWDJ-UHFFFAOYSA-N 1 2 342.487 3.043 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(F)c(F)c1)C2 ZINC001095531901 1362162960 /nfs/dbraw/zinc/16/29/60/1362162960.db2.gz XNVPNWKRHUTDOI-UGFHNGPFSA-N 1 2 326.774 3.052 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(F)c(F)c1)C2 ZINC001095531901 1362162961 /nfs/dbraw/zinc/16/29/61/1362162961.db2.gz XNVPNWKRHUTDOI-UGFHNGPFSA-N 1 2 326.774 3.052 20 30 EGEDLO CC#CCCCC(=O)NCCCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001095700545 1362204993 /nfs/dbraw/zinc/20/49/93/1362204993.db2.gz SWZWQSXTCQBZDN-UHFFFAOYSA-N 1 2 330.476 3.045 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)c3ccccc13)C2 ZINC001095706629 1362206632 /nfs/dbraw/zinc/20/66/32/1362206632.db2.gz XWVFVXSMXPGRDH-SKDZVZGDSA-N 1 2 343.858 3.266 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)c3ccccc13)C2 ZINC001095706629 1362206637 /nfs/dbraw/zinc/20/66/37/1362206637.db2.gz XWVFVXSMXPGRDH-SKDZVZGDSA-N 1 2 343.858 3.266 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3cc(F)ccc31)C2 ZINC001095770591 1362224227 /nfs/dbraw/zinc/22/42/27/1362224227.db2.gz XHFQANKLRQRBGQ-UBDQQSCGSA-N 1 2 348.849 3.330 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3cc(F)ccc31)C2 ZINC001095770591 1362224231 /nfs/dbraw/zinc/22/42/31/1362224231.db2.gz XHFQANKLRQRBGQ-UBDQQSCGSA-N 1 2 348.849 3.330 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc(C)oc2C)CC1 ZINC001095971766 1362316318 /nfs/dbraw/zinc/31/63/18/1362316318.db2.gz BVPGUCXJSANIDN-AOIWGVFYSA-N 1 2 343.471 3.259 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc(C)oc2C)CC1 ZINC001095971766 1362316323 /nfs/dbraw/zinc/31/63/23/1362316323.db2.gz BVPGUCXJSANIDN-AOIWGVFYSA-N 1 2 343.471 3.259 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc(C)c(C)s2)C1 ZINC001095982942 1362321766 /nfs/dbraw/zinc/32/17/66/1362321766.db2.gz NLQBRNWHYUTJGA-PMPSAXMXSA-N 1 2 345.512 3.338 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc(C)c(C)s2)C1 ZINC001095982942 1362321772 /nfs/dbraw/zinc/32/17/72/1362321772.db2.gz NLQBRNWHYUTJGA-PMPSAXMXSA-N 1 2 345.512 3.338 20 30 EGEDLO C=CCCC(=O)NCCCN(c1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001096021761 1362338023 /nfs/dbraw/zinc/33/80/23/1362338023.db2.gz GQDAJLQIDQAKCT-UHFFFAOYSA-N 1 2 328.460 3.104 20 30 EGEDLO C#CCCCC(=O)NCCCN(c1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001096027752 1362338915 /nfs/dbraw/zinc/33/89/15/1362338915.db2.gz QHRPMYUUBKJNGP-UHFFFAOYSA-N 1 2 342.487 3.187 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096207890 1362431799 /nfs/dbraw/zinc/43/17/99/1362431799.db2.gz DIEKDNJPYMPGSK-INIZCTEOSA-N 1 2 330.476 3.350 20 30 EGEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(CC(C)(C)C)s1)C2 ZINC001096295757 1362457317 /nfs/dbraw/zinc/45/73/17/1362457317.db2.gz OUMGZMWWJCPNMQ-ILXRZTDVSA-N 1 2 345.512 3.090 20 30 EGEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(CC(C)(C)C)s1)C2 ZINC001096295757 1362457318 /nfs/dbraw/zinc/45/73/18/1362457318.db2.gz OUMGZMWWJCPNMQ-ILXRZTDVSA-N 1 2 345.512 3.090 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC001096368170 1362475565 /nfs/dbraw/zinc/47/55/65/1362475565.db2.gz AGNHEHXSOLIYNY-INIZCTEOSA-N 1 2 342.487 3.078 20 30 EGEDLO CC#CCCCC(=O)NC[C@H](Nc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001096776204 1362700971 /nfs/dbraw/zinc/70/09/71/1362700971.db2.gz BJEIHJZAYKUWHT-KRWDZBQOSA-N 1 2 340.471 3.163 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3scnc31)C2 ZINC001097064438 1362830099 /nfs/dbraw/zinc/83/00/99/1362830099.db2.gz 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C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097338597 1362940980 /nfs/dbraw/zinc/94/09/80/1362940980.db2.gz CJGQWEVTCNYSBO-PXNSSMCTSA-N 1 2 344.503 3.337 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCCCN1c1nc(C)[nH+]c(C)c1C ZINC001097452463 1362998210 /nfs/dbraw/zinc/99/82/10/1362998210.db2.gz VQKIDJACUMQLLF-RDTXWAMCSA-N 1 2 344.503 3.479 20 30 EGEDLO C=CCC(CC=C)C(=O)N1C[C@@H]2CC[C@H](Nc3cc[nH+]c(C)n3)[C@@H]2C1 ZINC001097602651 1363067867 /nfs/dbraw/zinc/06/78/67/1363067867.db2.gz WRHVOZIAXSIWIL-KSZLIROESA-N 1 2 340.471 3.202 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(OCC)c1)C2 ZINC001097932981 1363170499 /nfs/dbraw/zinc/17/04/99/1363170499.db2.gz ZEFHCWZDAPSNIJ-OIISXLGYSA-N 1 2 334.847 3.173 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(OCC)c1)C2 ZINC001097932981 1363170500 /nfs/dbraw/zinc/17/05/00/1363170500.db2.gz ZEFHCWZDAPSNIJ-OIISXLGYSA-N 1 2 334.847 3.173 20 30 EGEDLO Cc1nc(C[N@H+]2CC(C)(C)CC[C@H]2CNC(=O)[C@H](C)C#N)c(C)s1 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XBPDMJDJVSLSOQ-KRWDZBQOSA-N 1 2 345.487 3.058 20 30 EGEDLO Cc1cc(C[N@@H+]2CC(C)(C)CC[C@@H]2CNC(=O)C#CC(C)(C)C)no1 ZINC001099069422 1363606031 /nfs/dbraw/zinc/60/60/31/1363606031.db2.gz HKOKGYNNRCIQDR-QGZVFWFLSA-N 1 2 345.487 3.139 20 30 EGEDLO Cc1cc(C[N@H+]2CC(C)(C)CC[C@@H]2CNC(=O)C#CC(C)(C)C)no1 ZINC001099069422 1363606033 /nfs/dbraw/zinc/60/60/33/1363606033.db2.gz HKOKGYNNRCIQDR-QGZVFWFLSA-N 1 2 345.487 3.139 20 30 EGEDLO Cc1cc(N2CCN(c3ccccc3C#N)CC2)nc(C2CCC2)[nH+]1 ZINC001185179526 1387635364 /nfs/dbraw/zinc/63/53/64/1387635364.db2.gz DUOMXZDSVGDJFT-UHFFFAOYSA-N 1 2 333.439 3.251 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nccs1 ZINC001099182273 1363677165 /nfs/dbraw/zinc/67/71/65/1363677165.db2.gz ISJYDRJLYZIHBT-INIZCTEOSA-N 1 2 347.528 3.444 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nccs1 ZINC001099182273 1363677167 /nfs/dbraw/zinc/67/71/67/1363677167.db2.gz ISJYDRJLYZIHBT-INIZCTEOSA-N 1 2 347.528 3.444 20 30 EGEDLO 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ZINC001100691524 1364220357 /nfs/dbraw/zinc/22/03/57/1364220357.db2.gz RWTIQQHAWXHUDR-DZGCQCFKSA-N 1 2 330.476 3.063 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001100895299 1364318030 /nfs/dbraw/zinc/31/80/30/1364318030.db2.gz HGSHOLFSZXXHGR-YOEHRIQHSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001101056583 1364394912 /nfs/dbraw/zinc/39/49/12/1364394912.db2.gz UHSJFIPRNROWTF-OXJNMPFZSA-N 1 2 344.503 3.453 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCN(CCC)c1nc(C)[nH+]c(C)c1C ZINC001101238896 1364480687 /nfs/dbraw/zinc/48/06/87/1364480687.db2.gz BBBUQPWHLWRJFT-LJQANCHMSA-N 1 2 332.492 3.337 20 30 EGEDLO C=C(C)CCC(=O)NCCN(c1nc(C)[nH+]c2c1CCCC2)C1CC1 ZINC001101394548 1364543959 /nfs/dbraw/zinc/54/39/59/1364543959.db2.gz QRONGHUVDUPBDY-UHFFFAOYSA-N 1 2 342.487 3.105 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N(CCC)[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102256659 1364970369 /nfs/dbraw/zinc/97/03/69/1364970369.db2.gz BRMNWWLZQJIIGF-WBVHZDCISA-N 1 2 330.476 3.205 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H](CN(C)c3cc[nH+]c(C)n3)C2)CCCC1 ZINC001102443676 1365057535 /nfs/dbraw/zinc/05/75/35/1365057535.db2.gz PEDZBTKIMPLMGC-QGZVFWFLSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CCCCC(=O)N(C)[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102758193 1365205254 /nfs/dbraw/zinc/20/52/54/1365205254.db2.gz ZVALXZFMMLQAPN-INIZCTEOSA-N 1 2 328.460 3.056 20 30 EGEDLO CC#CCCCC(=O)N(CC)[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102824877 1365238130 /nfs/dbraw/zinc/23/81/30/1365238130.db2.gz FFYJKLQYRRRJIY-SFHVURJKSA-N 1 2 342.487 3.023 20 30 EGEDLO C=CCCC1(C(=O)NCC[C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001102941450 1365306596 /nfs/dbraw/zinc/30/65/96/1365306596.db2.gz IRTQDTRNRDPSEG-KRWDZBQOSA-N 1 2 342.487 3.254 20 30 EGEDLO CC#CCCCC(=O)NC[C@H](CC)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001103265213 1365463514 /nfs/dbraw/zinc/46/35/14/1365463514.db2.gz WOLYXHBTUBDXCM-INIZCTEOSA-N 1 2 330.476 3.409 20 30 EGEDLO 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C=C(C)CCC(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001196009678 1368534614 /nfs/dbraw/zinc/53/46/14/1368534614.db2.gz CZLJMUUYEUPKTO-UHFFFAOYSA-N 1 2 329.419 3.088 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001196009678 1368534617 /nfs/dbraw/zinc/53/46/17/1368534617.db2.gz CZLJMUUYEUPKTO-UHFFFAOYSA-N 1 2 329.419 3.088 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001111987122 1368592800 /nfs/dbraw/zinc/59/28/00/1368592800.db2.gz AECRZPHVORMXDA-KRWDZBQOSA-N 1 2 342.487 3.187 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001111999941 1368603755 /nfs/dbraw/zinc/60/37/55/1368603755.db2.gz DTBYGOCCLZPQCQ-KRWDZBQOSA-N 1 2 330.476 3.233 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N(C)CCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001112155238 1368686738 /nfs/dbraw/zinc/68/67/38/1368686738.db2.gz OQBLTLYFLBSBJM-HOCLYGCPSA-N 1 2 344.503 3.405 20 30 EGEDLO CC#CCCCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2F)CC1 ZINC001196847271 1368697702 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C=C[C@H](CC)CC(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001196902010 1368710845 /nfs/dbraw/zinc/71/08/45/1368710845.db2.gz UENFTKAXOIGUJM-MRXNPFEDSA-N 1 2 343.446 3.334 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001196902010 1368710848 /nfs/dbraw/zinc/71/08/48/1368710848.db2.gz UENFTKAXOIGUJM-MRXNPFEDSA-N 1 2 343.446 3.334 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001196902009 1368711092 /nfs/dbraw/zinc/71/10/92/1368711092.db2.gz UENFTKAXOIGUJM-INIZCTEOSA-N 1 2 343.446 3.334 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001196902009 1368711096 /nfs/dbraw/zinc/71/10/96/1368711096.db2.gz UENFTKAXOIGUJM-INIZCTEOSA-N 1 2 343.446 3.334 20 30 EGEDLO C=CCCCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001196984652 1368725849 /nfs/dbraw/zinc/72/58/49/1368725849.db2.gz JPASZFDKGQZKMN-UHFFFAOYSA-N 1 2 329.419 3.088 20 30 EGEDLO C=CCCCC(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001196984652 1368725852 /nfs/dbraw/zinc/72/58/52/1368725852.db2.gz JPASZFDKGQZKMN-UHFFFAOYSA-N 1 2 329.419 3.088 20 30 EGEDLO CCc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)ccc1C#N ZINC001197292278 1368781676 /nfs/dbraw/zinc/78/16/76/1368781676.db2.gz IJEOLZLSVSXBOM-QGZVFWFLSA-N 1 2 347.409 3.066 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001112631642 1368961306 /nfs/dbraw/zinc/96/13/06/1368961306.db2.gz HNYLLHSBYPPCNB-RDJZCZTQSA-N 1 2 330.476 3.205 20 30 EGEDLO CCC[C@H](C)CC(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001112683659 1368978919 /nfs/dbraw/zinc/97/89/19/1368978919.db2.gz NALCBBYEYBMFDF-KRWDZBQOSA-N 1 2 343.471 3.059 20 30 EGEDLO C=CCCC(=O)N1CC[NH+](CCOc2cccc(C(C)(C)C)c2)CC1 ZINC001112688207 1368981824 /nfs/dbraw/zinc/98/18/24/1368981824.db2.gz HYKKYLRBUNVNBR-UHFFFAOYSA-N 1 2 344.499 3.473 20 30 EGEDLO CC(C)(C)CCCC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001112706250 1368983764 /nfs/dbraw/zinc/98/37/64/1368983764.db2.gz MCTIENKJGYWSTI-UHFFFAOYSA-N 1 2 327.472 3.419 20 30 EGEDLO C=CCOCCCC(=O)N1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC001112744566 1368987961 /nfs/dbraw/zinc/98/79/61/1368987961.db2.gz SPNDIPBLCQJIQW-MRXNPFEDSA-N 1 2 334.435 3.014 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@@H]([C@H]2CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001112811482 1369023476 /nfs/dbraw/zinc/02/34/76/1369023476.db2.gz OSQKWHGFKJFIBQ-MSOLQXFVSA-N 1 2 342.487 3.206 20 30 EGEDLO C=C(C)[C@H](CC(=O)N1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1)OCC ZINC001112909783 1369085779 /nfs/dbraw/zinc/08/57/79/1369085779.db2.gz ZCVAJTBFJFXWHN-APWZRJJASA-N 1 2 348.462 3.402 20 30 EGEDLO C=CCOCCCC(=O)N[C@@H](C)[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001112953681 1369107722 /nfs/dbraw/zinc/10/77/22/1369107722.db2.gz BZZWYQDROSMJLL-HOTGVXAUSA-N 1 2 348.491 3.196 20 30 EGEDLO Cc1cc(N[C@@H](C)[C@@H](C)NC(=O)C#CC(C)(C)C)nc(C2CC2)[nH+]1 ZINC001113003634 1369131288 /nfs/dbraw/zinc/13/12/88/1369131288.db2.gz DUQVXAPKBVUFKZ-UONOGXRCSA-N 1 2 328.460 3.017 20 30 EGEDLO C#CCCCCCC(=O)N1CC[NH+](CCOc2ccc(C)cc2)CC1 ZINC001113205082 1369260706 /nfs/dbraw/zinc/26/07/06/1369260706.db2.gz KPIOUQQKVIWHNT-UHFFFAOYSA-N 1 2 342.483 3.102 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC[NH+](CCOc2c(C)cccc2C)CC1 ZINC001113229318 1369277330 /nfs/dbraw/zinc/27/73/30/1369277330.db2.gz HLDXQFCRBQUJAZ-VQIMIIECSA-N 1 2 344.499 3.285 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[NH+](CCOc2cc(C)cc(C)c2)CC1 ZINC001113239806 1369286575 /nfs/dbraw/zinc/28/65/75/1369286575.db2.gz SBXDSVCYJMNJIZ-IBGZPJMESA-N 1 2 344.499 3.429 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC001113244365 1369288125 /nfs/dbraw/zinc/28/81/25/1369288125.db2.gz YNEVVXIORFDUQN-QGZVFWFLSA-N 1 2 330.472 3.250 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001113728045 1369590269 /nfs/dbraw/zinc/59/02/69/1369590269.db2.gz LMYJUCYGYBPINW-AWEZNQCLSA-N 1 2 330.476 3.206 20 30 EGEDLO C#CCCCCCC(=O)NC[C@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001113802278 1369614073 /nfs/dbraw/zinc/61/40/73/1369614073.db2.gz KUTITGCYSINNJA-KRWDZBQOSA-N 1 2 344.503 3.433 20 30 EGEDLO CCCCCCCCCCS(=O)(=O)Nc1cc[nH+]c(CO)c1 ZINC001201834200 1369630910 /nfs/dbraw/zinc/63/09/10/1369630910.db2.gz KLTGMJGYQCLHLU-UHFFFAOYSA-N 1 2 328.478 3.456 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H](C)N(C)c2nc(C)[nH+]c(C)c2C)CC1 ZINC001113851257 1369633667 /nfs/dbraw/zinc/63/36/67/1369633667.db2.gz IYEQAQGYDDGXBC-ZDUSSCGKSA-N 1 2 330.476 3.089 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001113852131 1369634418 /nfs/dbraw/zinc/63/44/18/1369634418.db2.gz WSHXZVQUASSOAA-LIRRHRJNSA-N 1 2 330.476 3.206 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)N(C)c2nc(C)[nH+]c(C)c2C)CCC1 ZINC001113853566 1369634940 /nfs/dbraw/zinc/63/49/40/1369634940.db2.gz IIHSBBFPPDWRRI-CYBMUJFWSA-N 1 2 330.476 3.089 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)CCCCC)[C@@H]2C1 ZINC001186872119 1388018906 /nfs/dbraw/zinc/01/89/06/1388018906.db2.gz FDQNMACQEZHFNY-UONOGXRCSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCCC)[C@@H]2C1 ZINC001186872119 1388018912 /nfs/dbraw/zinc/01/89/12/1388018912.db2.gz FDQNMACQEZHFNY-UONOGXRCSA-N 1 2 329.282 3.008 20 30 EGEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001114026070 1369690543 /nfs/dbraw/zinc/69/05/43/1369690543.db2.gz VOOQIDKONHQVDS-WVZRYYJFSA-N 1 2 331.460 3.046 20 30 EGEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001114026070 1369690544 /nfs/dbraw/zinc/69/05/44/1369690544.db2.gz VOOQIDKONHQVDS-WVZRYYJFSA-N 1 2 331.460 3.046 20 30 EGEDLO Cc1cc(NC[C@@H]2C[C@@H](C)N(C(=O)C#CC(C)C)C2)nc(C(C)C)[nH+]1 ZINC001114682502 1370023175 /nfs/dbraw/zinc/02/31/75/1370023175.db2.gz YKSNDTUVXLENES-SJORKVTESA-N 1 2 342.487 3.217 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1C[C@@]2(C)CN(c3cc[nH+]c(C)n3)C[C@@]2(C)C1 ZINC001114729050 1370050682 /nfs/dbraw/zinc/05/06/82/1370050682.db2.gz SUEQKPJSZQRCOQ-AHRSYUTCSA-N 1 2 342.487 3.062 20 30 EGEDLO C=CCC(C)(C)C(=O)N1C[C@@]2(C)CN(c3cc[nH+]c(C)n3)C[C@@]2(C)C1 ZINC001114729250 1370051454 /nfs/dbraw/zinc/05/14/54/1370051454.db2.gz YEPKBXZQXSOHPP-BGYRXZFFSA-N 1 2 342.487 3.062 20 30 EGEDLO CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(C#N)cc1 ZINC001203905673 1370310348 /nfs/dbraw/zinc/31/03/48/1370310348.db2.gz ZLONJHRWGVJGJC-FQEVSTJZSA-N 1 2 347.462 3.400 20 30 EGEDLO CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C#N)cc1 ZINC001203905673 1370310354 /nfs/dbraw/zinc/31/03/54/1370310354.db2.gz ZLONJHRWGVJGJC-FQEVSTJZSA-N 1 2 347.462 3.400 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(OCC)cc1 ZINC001203967712 1370335441 /nfs/dbraw/zinc/33/54/41/1370335441.db2.gz QLJQWOKQFCAPKD-LJQANCHMSA-N 1 2 341.455 3.121 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(OCC)cc1 ZINC001203967712 1370335446 /nfs/dbraw/zinc/33/54/46/1370335446.db2.gz QLJQWOKQFCAPKD-LJQANCHMSA-N 1 2 341.455 3.121 20 30 EGEDLO N#Cc1ccccc1C[NH+]1CCN(c2nccc3ccccc32)CC1 ZINC001204371118 1370456961 /nfs/dbraw/zinc/45/69/61/1370456961.db2.gz DMIWEUCWSISVLG-UHFFFAOYSA-N 1 2 328.419 3.429 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCC1([NH2+]Cc2noc(CC)n2)CCCCC1 ZINC001115661966 1370646760 /nfs/dbraw/zinc/64/67/60/1370646760.db2.gz WYGQNIPIDPWUBR-UHFFFAOYSA-N 1 2 348.491 3.143 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](n3cc(Br)cn3)C2)ccc1F ZINC001205502216 1370774581 /nfs/dbraw/zinc/77/45/81/1370774581.db2.gz KZWSNOXMGYQMAC-CQSZACIVSA-N 1 2 349.207 3.103 20 30 EGEDLO N#Cc1cc(C[N@H+]2CC[C@@H](n3cc(Br)cn3)C2)ccc1F ZINC001205502216 1370774589 /nfs/dbraw/zinc/77/45/89/1370774589.db2.gz KZWSNOXMGYQMAC-CQSZACIVSA-N 1 2 349.207 3.103 20 30 EGEDLO C#CCOc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)cc1 ZINC001116038153 1370824889 /nfs/dbraw/zinc/82/48/89/1370824889.db2.gz XVZAURKGQNVVGT-FQEVSTJZSA-N 1 2 349.434 3.087 20 30 EGEDLO C#CCOc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)cc1 ZINC001116038153 1370824898 /nfs/dbraw/zinc/82/48/98/1370824898.db2.gz XVZAURKGQNVVGT-FQEVSTJZSA-N 1 2 349.434 3.087 20 30 EGEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CC#Cc1ccccc1 ZINC001116274115 1370874970 /nfs/dbraw/zinc/87/49/70/1370874970.db2.gz QMKCSEIENREDDE-UHFFFAOYSA-N 1 2 348.446 3.208 20 30 EGEDLO C#CCOCC[N@@H+](C)Cc1csc(-c2ccc(OCC)cc2)n1 ZINC001116400971 1370903867 /nfs/dbraw/zinc/90/38/67/1370903867.db2.gz AOYMPRPRNQAYFF-UHFFFAOYSA-N 1 2 330.453 3.290 20 30 EGEDLO C#CCOCC[N@H+](C)Cc1csc(-c2ccc(OCC)cc2)n1 ZINC001116400971 1370903869 /nfs/dbraw/zinc/90/38/69/1370903869.db2.gz AOYMPRPRNQAYFF-UHFFFAOYSA-N 1 2 330.453 3.290 20 30 EGEDLO CC(C)c1ocnc1CO[NH+]=C(N)c1ccc(Br)cc1 ZINC001116537592 1370932308 /nfs/dbraw/zinc/93/23/08/1370932308.db2.gz LILUPKPSVNEJMT-UHFFFAOYSA-N 1 2 338.205 3.398 20 30 EGEDLO N[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC001206221469 1370995852 /nfs/dbraw/zinc/99/58/52/1370995852.db2.gz HFBQGZLCYHMRJD-NSHDSACASA-N 1 2 330.247 3.310 20 30 EGEDLO N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC001206221469 1370995854 /nfs/dbraw/zinc/99/58/54/1370995854.db2.gz HFBQGZLCYHMRJD-NSHDSACASA-N 1 2 330.247 3.310 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CCCC)C1 ZINC001206926780 1371228822 /nfs/dbraw/zinc/22/88/22/1371228822.db2.gz CSQFMRMVCDGVON-YRGRVCCFSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CCCC)C1 ZINC001206926780 1371228826 /nfs/dbraw/zinc/22/88/26/1371228826.db2.gz CSQFMRMVCDGVON-YRGRVCCFSA-N 1 2 331.298 3.158 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2ncc(C)o2)C[C@H]1C ZINC001207108060 1371295550 /nfs/dbraw/zinc/29/55/50/1371295550.db2.gz VSUBBPKJHJPKLE-FRFSOERESA-N 1 2 331.460 3.249 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ncc(C)o2)C[C@H]1C ZINC001207108060 1371295554 /nfs/dbraw/zinc/29/55/54/1371295554.db2.gz VSUBBPKJHJPKLE-FRFSOERESA-N 1 2 331.460 3.249 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2ncc(C)o2)C[C@H]1C ZINC001207146052 1371309149 /nfs/dbraw/zinc/30/91/49/1371309149.db2.gz SCKWWBDNOGYGEE-MPKXVKKWSA-N 1 2 339.867 3.259 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ncc(C)o2)C[C@H]1C ZINC001207146052 1371309152 /nfs/dbraw/zinc/30/91/52/1371309152.db2.gz SCKWWBDNOGYGEE-MPKXVKKWSA-N 1 2 339.867 3.259 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2noc3c2CCCC3)C[C@H]1C ZINC001207158402 1371315936 /nfs/dbraw/zinc/31/59/36/1371315936.db2.gz PWYNKZHKJPXAPU-GDBMZVCRSA-N 1 2 345.487 3.092 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2noc3c2CCCC3)C[C@H]1C ZINC001207158402 1371315941 /nfs/dbraw/zinc/31/59/41/1371315941.db2.gz PWYNKZHKJPXAPU-GDBMZVCRSA-N 1 2 345.487 3.092 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nc(CC)no2)C1 ZINC001208180521 1371622068 /nfs/dbraw/zinc/62/20/68/1371622068.db2.gz QYOAOPJRNBGPQG-HOCLYGCPSA-N 1 2 346.475 3.042 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2nc3c(o2)CCCC3)C[C@H]1C ZINC001208393238 1371751551 /nfs/dbraw/zinc/75/15/51/1371751551.db2.gz LSVUOPUVERNOPZ-BFYDXBDKSA-N 1 2 345.487 3.092 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2nc3c(o2)CCCC3)C[C@H]1C ZINC001208393238 1371751566 /nfs/dbraw/zinc/75/15/66/1371751566.db2.gz LSVUOPUVERNOPZ-BFYDXBDKSA-N 1 2 345.487 3.092 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001208396278 1371753050 /nfs/dbraw/zinc/75/30/50/1371753050.db2.gz QTCFLEXJWVJYHC-IIAWOOMASA-N 1 2 335.517 3.244 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001208396278 1371753054 /nfs/dbraw/zinc/75/30/54/1371753054.db2.gz QTCFLEXJWVJYHC-IIAWOOMASA-N 1 2 335.517 3.244 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(Cl)c3F)C[C@H]21 ZINC001187814252 1388169585 /nfs/dbraw/zinc/16/95/85/1388169585.db2.gz XVANLWZVFRMLCK-WMLDXEAASA-N 1 2 348.849 3.171 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(Cl)c3F)C[C@H]21 ZINC001187814252 1388169587 /nfs/dbraw/zinc/16/95/87/1388169587.db2.gz XVANLWZVFRMLCK-WMLDXEAASA-N 1 2 348.849 3.171 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CC(C)(C)C)C1 ZINC001209209035 1372039461 /nfs/dbraw/zinc/03/94/61/1372039461.db2.gz QJMJJTQWBYHXSL-YRGRVCCFSA-N 1 2 345.325 3.404 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CC(C)(C)C)C1 ZINC001209209035 1372039463 /nfs/dbraw/zinc/03/94/63/1372039463.db2.gz QJMJJTQWBYHXSL-YRGRVCCFSA-N 1 2 345.325 3.404 20 30 EGEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1C[C@H](CC)CC[C@H]1C ZINC001122399546 1372241279 /nfs/dbraw/zinc/24/12/79/1372241279.db2.gz CWVXVIUYGXPFGS-HZPDHXFCSA-N 1 2 342.491 3.193 20 30 EGEDLO N#C[C@@H]1C[NH2+]CCN1Cc1c(Cl)cc(C(F)(F)F)cc1Cl ZINC001210122881 1372275248 /nfs/dbraw/zinc/27/52/48/1372275248.db2.gz UIGLCHJJKMBXGH-SECBINFHSA-N 1 2 338.160 3.310 20 30 EGEDLO CCCCN(CCCC)c1ccc(CN2CC[NH2+]C[C@H]2C#N)c(O)c1 ZINC001210120857 1372275594 /nfs/dbraw/zinc/27/55/94/1372275594.db2.gz HWYUQENSJNLQHX-LJQANCHMSA-N 1 2 344.503 3.096 20 30 EGEDLO C=CCCC(=O)N1C[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C[C@H]1C ZINC001123179525 1372393230 /nfs/dbraw/zinc/39/32/30/1372393230.db2.gz LKZDLAMZKRECIM-HIFRSBDPSA-N 1 2 328.460 3.031 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001123289237 1372415677 /nfs/dbraw/zinc/41/56/77/1372415677.db2.gz KSKRFGUMMBJJOE-GDBMZVCRSA-N 1 2 328.460 3.420 20 30 EGEDLO Cc1cc(Nc2cc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c(C)n2)ccc1C#N ZINC001210805514 1372429922 /nfs/dbraw/zinc/42/99/22/1372429922.db2.gz CKVOEJKEWVAGRM-OKILXGFUSA-N 1 2 337.427 3.322 20 30 EGEDLO Cc1cc(Nc2cc(N3C[C@@H](C)O[C@@H](C)C3)nc(C)[nH+]2)ccc1C#N ZINC001210805514 1372429924 /nfs/dbraw/zinc/42/99/24/1372429924.db2.gz CKVOEJKEWVAGRM-OKILXGFUSA-N 1 2 337.427 3.322 20 30 EGEDLO Cc1cc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)ccc1C#N ZINC001210809208 1372430427 /nfs/dbraw/zinc/43/04/27/1372430427.db2.gz OKXSUKZKVMDYPD-UHFFFAOYSA-N 1 2 348.450 3.131 20 30 EGEDLO C=CC1CCN(c2nnc([C@@H]3CCCC[N@H+]3C)n2CC2CC2)CC1 ZINC001123485794 1372486110 /nfs/dbraw/zinc/48/61/10/1372486110.db2.gz QITMMMPOJIFPRO-KRWDZBQOSA-N 1 2 329.492 3.247 20 30 EGEDLO C=CC1CCN(c2nnc([C@@H]3CCCC[N@@H+]3C)n2CC2CC2)CC1 ZINC001123485794 1372486111 /nfs/dbraw/zinc/48/61/11/1372486111.db2.gz QITMMMPOJIFPRO-KRWDZBQOSA-N 1 2 329.492 3.247 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)[C@H]1C ZINC001123578215 1372513920 /nfs/dbraw/zinc/51/39/20/1372513920.db2.gz VKEWFWYDRXVRRN-HOTGVXAUSA-N 1 2 330.476 3.348 20 30 EGEDLO C=CC[C@@H]1CCCN(c2nnc([C@H]3CCC[N@H+]3C)n2CC2CC2)C1 ZINC001123728922 1372570552 /nfs/dbraw/zinc/57/05/52/1372570552.db2.gz HICJGMDLOMRVKF-NVXWUHKLSA-N 1 2 329.492 3.247 20 30 EGEDLO C=CC[C@@H]1CCCN(c2nnc([C@H]3CCC[N@@H+]3C)n2CC2CC2)C1 ZINC001123728922 1372570555 /nfs/dbraw/zinc/57/05/55/1372570555.db2.gz HICJGMDLOMRVKF-NVXWUHKLSA-N 1 2 329.492 3.247 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001123867457 1372612017 /nfs/dbraw/zinc/61/20/17/1372612017.db2.gz RIQUJTUYVGQKCD-SJORKVTESA-N 1 2 328.460 3.066 20 30 EGEDLO CC#CCCCC(=O)N(CCN(C)c1nc(C)[nH+]c(C)c1C)C(C)C ZINC001125633409 1372823552 /nfs/dbraw/zinc/82/35/52/1372823552.db2.gz SLLXKRSWQGIMTE-UHFFFAOYSA-N 1 2 344.503 3.269 20 30 EGEDLO N#Cc1ccc(Nc2cc(Br)c3[nH+]ccn3c2)c(N)c1 ZINC001213353875 1372890287 /nfs/dbraw/zinc/89/02/87/1372890287.db2.gz NRWWBYIVMPVQSP-UHFFFAOYSA-N 1 2 328.173 3.294 20 30 EGEDLO C=CCC1(C(=O)N(C)C2CC(Nc3cc[nH+]c(C)n3)C2)CCCC1 ZINC001126971823 1373061075 /nfs/dbraw/zinc/06/10/75/1373061075.db2.gz AXNXRJDIVDMRKN-UHFFFAOYSA-N 1 2 328.460 3.323 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001127756273 1373174785 /nfs/dbraw/zinc/17/47/85/1373174785.db2.gz HLYBGPNIZDMKLX-KBPBESRZSA-N 1 2 342.487 3.113 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)C3CCC3)c2C1 ZINC001128136824 1373222620 /nfs/dbraw/zinc/22/26/20/1373222620.db2.gz VLLUAAGCNDMVTL-UHFFFAOYSA-N 1 2 332.492 3.085 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)C3CCC3)c2C1 ZINC001128136824 1373222622 /nfs/dbraw/zinc/22/26/22/1373222622.db2.gz VLLUAAGCNDMVTL-UHFFFAOYSA-N 1 2 332.492 3.085 20 30 EGEDLO C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2nc(C3CC3)no2)C1 ZINC001215696894 1373233280 /nfs/dbraw/zinc/23/32/80/1373233280.db2.gz MZEPRUDCEGVUOI-VNHYZAJKSA-N 1 2 346.475 3.047 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCc1cnn2c1C[N@H+](CCCCCC)CC2 ZINC001128452768 1373270030 /nfs/dbraw/zinc/27/00/30/1373270030.db2.gz AUUTXAKLQVGBPU-UHFFFAOYSA-N 1 2 346.519 3.498 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCc1cnn2c1C[N@@H+](CCCCCC)CC2 ZINC001128452768 1373270032 /nfs/dbraw/zinc/27/00/32/1373270032.db2.gz AUUTXAKLQVGBPU-UHFFFAOYSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)C3(CC)CC3)c2C1 ZINC001128494693 1373277200 /nfs/dbraw/zinc/27/72/00/1373277200.db2.gz YOIXARCPYNTALE-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)C3(CC)CC3)c2C1 ZINC001128494693 1373277204 /nfs/dbraw/zinc/27/72/04/1373277204.db2.gz YOIXARCPYNTALE-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C3(CC=C)CCCC3)c2C1 ZINC001128608045 1373297468 /nfs/dbraw/zinc/29/74/68/1373297468.db2.gz TVGUKCJLMYJIDI-UHFFFAOYSA-N 1 2 342.487 3.028 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C3(CC=C)CCCC3)c2C1 ZINC001128608045 1373297472 /nfs/dbraw/zinc/29/74/72/1373297472.db2.gz TVGUKCJLMYJIDI-UHFFFAOYSA-N 1 2 342.487 3.028 20 30 EGEDLO CNc1[nH]c2cc(-c3nc(-c4cc(F)cc(C#N)c4)no3)ccc2[nH+]1 ZINC001217625987 1373476081 /nfs/dbraw/zinc/47/60/81/1373476081.db2.gz CCWWJVXOYSDWMT-UHFFFAOYSA-N 1 2 334.314 3.332 20 30 EGEDLO CC(C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131752303 1373786690 /nfs/dbraw/zinc/78/66/90/1373786690.db2.gz PSJKJKBAPBBUIK-KBXCAEBGSA-N 1 2 331.435 3.213 20 30 EGEDLO CC(C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131752303 1373786692 /nfs/dbraw/zinc/78/66/92/1373786692.db2.gz PSJKJKBAPBBUIK-KBXCAEBGSA-N 1 2 331.435 3.213 20 30 EGEDLO CCCSCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001131848925 1373835679 /nfs/dbraw/zinc/83/56/79/1373835679.db2.gz PKDIAJJNCNOIFU-CRAIPNDOSA-N 1 2 345.512 3.171 20 30 EGEDLO CCCSCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001131848925 1373835684 /nfs/dbraw/zinc/83/56/84/1373835684.db2.gz PKDIAJJNCNOIFU-CRAIPNDOSA-N 1 2 345.512 3.171 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3cnc(Cl)s3)[C@H]2C1 ZINC001222401917 1373838721 /nfs/dbraw/zinc/83/87/21/1373838721.db2.gz NMAUIWWPFGEVPA-OCCSQVGLSA-N 1 2 339.892 3.186 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2CC[N@H+](Cc3cnc(Cl)s3)[C@H]2C1 ZINC001222401917 1373838726 /nfs/dbraw/zinc/83/87/26/1373838726.db2.gz NMAUIWWPFGEVPA-OCCSQVGLSA-N 1 2 339.892 3.186 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001131959445 1375071430 /nfs/dbraw/zinc/07/14/30/1375071430.db2.gz FORUTYREIYFNFC-QAPCUYQASA-N 1 2 346.421 3.410 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001131959445 1375071435 /nfs/dbraw/zinc/07/14/35/1375071435.db2.gz FORUTYREIYFNFC-QAPCUYQASA-N 1 2 346.421 3.410 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccncc2Cl)C1 ZINC001132002124 1375092081 /nfs/dbraw/zinc/09/20/81/1375092081.db2.gz HDQFRPOZPDMWKR-GDBMZVCRSA-N 1 2 333.863 3.008 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccncc2Cl)C1 ZINC001132002124 1375092086 /nfs/dbraw/zinc/09/20/86/1375092086.db2.gz HDQFRPOZPDMWKR-GDBMZVCRSA-N 1 2 333.863 3.008 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc(F)ccc2F)C1 ZINC001132018483 1375101607 /nfs/dbraw/zinc/10/16/07/1375101607.db2.gz XOEUJNSJMWTYMJ-PBHICJAKSA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001132018483 1375101609 /nfs/dbraw/zinc/10/16/09/1375101609.db2.gz XOEUJNSJMWTYMJ-PBHICJAKSA-N 1 2 334.410 3.093 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc(C)on2)C1 ZINC001132056644 1375122239 /nfs/dbraw/zinc/12/22/39/1375122239.db2.gz ARSLCSGBYPRVRV-YOEHRIQHSA-N 1 2 331.460 3.221 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc(C)on2)C1 ZINC001132056644 1375122242 /nfs/dbraw/zinc/12/22/42/1375122242.db2.gz ARSLCSGBYPRVRV-YOEHRIQHSA-N 1 2 331.460 3.221 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2nc(C)oc2C)C1 ZINC001132060169 1375125042 /nfs/dbraw/zinc/12/50/42/1375125042.db2.gz ARDDDONPDGIQOM-XJKSGUPXSA-N 1 2 333.476 3.363 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2nc(C)oc2C)C1 ZINC001132060169 1375125045 /nfs/dbraw/zinc/12/50/45/1375125045.db2.gz ARDDDONPDGIQOM-XJKSGUPXSA-N 1 2 333.476 3.363 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2(COC)CCCCC2)CC[C@@H]1C ZINC001132101756 1375148238 /nfs/dbraw/zinc/14/82/38/1375148238.db2.gz ODOICLMJAXBJPU-HOTGVXAUSA-N 1 2 342.911 3.305 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2(COC)CCCCC2)CC[C@@H]1C ZINC001132101756 1375148240 /nfs/dbraw/zinc/14/82/40/1375148240.db2.gz ODOICLMJAXBJPU-HOTGVXAUSA-N 1 2 342.911 3.305 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cncc(F)c2)C1 ZINC001132217260 1375215274 /nfs/dbraw/zinc/21/52/74/1375215274.db2.gz AGVATNYQRWVDPV-WMLDXEAASA-N 1 2 333.451 3.292 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cncc(F)c2)C1 ZINC001132217260 1375215280 /nfs/dbraw/zinc/21/52/80/1375215280.db2.gz AGVATNYQRWVDPV-WMLDXEAASA-N 1 2 333.451 3.292 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(F)cn2)C1 ZINC001132218563 1375217533 /nfs/dbraw/zinc/21/75/33/1375217533.db2.gz RUMNWZXROBHNLG-WMLDXEAASA-N 1 2 333.451 3.292 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(F)cn2)C1 ZINC001132218563 1375217537 /nfs/dbraw/zinc/21/75/37/1375217537.db2.gz RUMNWZXROBHNLG-WMLDXEAASA-N 1 2 333.451 3.292 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001132227808 1375222894 /nfs/dbraw/zinc/22/28/94/1375222894.db2.gz ITHUYKXDCWWMQV-QAPCUYQASA-N 1 2 345.487 3.344 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001132227808 1375222898 /nfs/dbraw/zinc/22/28/98/1375222898.db2.gz ITHUYKXDCWWMQV-QAPCUYQASA-N 1 2 345.487 3.344 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2csc(CC)n2)C1 ZINC001132228194 1375224716 /nfs/dbraw/zinc/22/47/16/1375224716.db2.gz NOUDBKXICSDKOR-ZIAGYGMSSA-N 1 2 335.517 3.387 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2csc(CC)n2)C1 ZINC001132228194 1375224719 /nfs/dbraw/zinc/22/47/19/1375224719.db2.gz NOUDBKXICSDKOR-ZIAGYGMSSA-N 1 2 335.517 3.387 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)/C=C\C(C)(C)C)CC1 ZINC001226633262 1375296711 /nfs/dbraw/zinc/29/67/11/1375296711.db2.gz PUAWRSBZUWUYRA-YVMONPNESA-N 1 2 329.282 3.078 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCc2ccccc2F)CC[C@H]1C ZINC001132481963 1375417864 /nfs/dbraw/zinc/41/78/64/1375417864.db2.gz OYKGKDGAEIBVPG-GDBMZVCRSA-N 1 2 338.854 3.480 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCc2ccccc2F)CC[C@H]1C ZINC001132481963 1375417869 /nfs/dbraw/zinc/41/78/69/1375417869.db2.gz OYKGKDGAEIBVPG-GDBMZVCRSA-N 1 2 338.854 3.480 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCOc2ccccc2)CC[C@@H]1C ZINC001132500276 1375427041 /nfs/dbraw/zinc/42/70/41/1375427041.db2.gz OTCPRJAMYIXZAQ-HOTGVXAUSA-N 1 2 336.863 3.177 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCOc2ccccc2)CC[C@@H]1C ZINC001132500276 1375427044 /nfs/dbraw/zinc/42/70/44/1375427044.db2.gz OTCPRJAMYIXZAQ-HOTGVXAUSA-N 1 2 336.863 3.177 20 30 EGEDLO C=CC(C)(C)CC(=O)NC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001227561691 1375443618 /nfs/dbraw/zinc/44/36/18/1375443618.db2.gz BYXDIIJFRUIUHB-UHFFFAOYSA-N 1 2 331.460 3.235 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2nc(Cl)ccc2F)C1 ZINC001227882068 1375486872 /nfs/dbraw/zinc/48/68/72/1375486872.db2.gz DVIFRMMXLWXGIW-AWEZNQCLSA-N 1 2 331.778 3.399 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2nc(Cl)ccc2F)C1 ZINC001227882068 1375486876 /nfs/dbraw/zinc/48/68/76/1375486876.db2.gz DVIFRMMXLWXGIW-AWEZNQCLSA-N 1 2 331.778 3.399 20 30 EGEDLO CC[C@H](F)C(=O)NC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC001228651344 1375627310 /nfs/dbraw/zinc/62/73/10/1375627310.db2.gz CZNDMWGOYJXDEE-KRWDZBQOSA-N 1 2 336.838 3.020 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ncc(C(C)C)o2)CC1 ZINC001228748909 1375662708 /nfs/dbraw/zinc/66/27/08/1375662708.db2.gz OGPBBSALZWPOQB-HUUCEWRRSA-N 1 2 333.476 3.337 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC1CC[NH+]([C@H](C)c2nc(C3CC3)no2)CC1 ZINC001228810581 1375685314 /nfs/dbraw/zinc/68/53/14/1375685314.db2.gz XKUTVQDWXYRJAA-UONOGXRCSA-N 1 2 346.475 3.191 20 30 EGEDLO C=CCC1(C(=O)NC2CC[NH+](Cc3coc(C)n3)CC2)CCCC1 ZINC001230475343 1376033625 /nfs/dbraw/zinc/03/36/25/1376033625.db2.gz GVJKHHPBMXXDKM-UHFFFAOYSA-N 1 2 331.460 3.200 20 30 EGEDLO CCC[C@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001231313051 1376227261 /nfs/dbraw/zinc/22/72/61/1376227261.db2.gz UUKCQEDXVFEQIE-QFBILLFUSA-N 1 2 330.447 3.146 20 30 EGEDLO CCC[C@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001231313051 1376227267 /nfs/dbraw/zinc/22/72/67/1376227267.db2.gz UUKCQEDXVFEQIE-QFBILLFUSA-N 1 2 330.447 3.146 20 30 EGEDLO COc1ccccc1[C@H](O)C[N@H+](Cc1cc(C#N)ccc1O)C(C)C ZINC001232678966 1376499997 /nfs/dbraw/zinc/49/99/97/1376499997.db2.gz WIHGZUXLZFIHBI-LJQANCHMSA-N 1 2 340.423 3.216 20 30 EGEDLO COc1ccccc1[C@H](O)C[N@@H+](Cc1cc(C#N)ccc1O)C(C)C ZINC001232678966 1376499999 /nfs/dbraw/zinc/49/99/99/1376499999.db2.gz WIHGZUXLZFIHBI-LJQANCHMSA-N 1 2 340.423 3.216 20 30 EGEDLO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+]2Cc1ccc(C#N)s1 ZINC001232844365 1376522716 /nfs/dbraw/zinc/52/27/16/1376522716.db2.gz MKKACUXWEOJSDV-UHFFFAOYSA-N 1 2 333.457 3.205 20 30 EGEDLO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+]2Cc1ccc(C#N)s1 ZINC001232844365 1376522719 /nfs/dbraw/zinc/52/27/19/1376522719.db2.gz MKKACUXWEOJSDV-UHFFFAOYSA-N 1 2 333.457 3.205 20 30 EGEDLO C#CC[NH+]1CCN(Cc2ccc(F)cc2OCc2ccccc2)CC1 ZINC001233246098 1376600556 /nfs/dbraw/zinc/60/05/56/1376600556.db2.gz WVYLNTFQEVVVKX-UHFFFAOYSA-N 1 2 338.426 3.156 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(N)cc3Cl)CC2)c(F)c1 ZINC001233377169 1376630953 /nfs/dbraw/zinc/63/09/53/1376630953.db2.gz RPKFHXIEFXHLNB-UHFFFAOYSA-N 1 2 344.821 3.255 20 30 EGEDLO CC[C@H](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001233927615 1376738673 /nfs/dbraw/zinc/73/86/73/1376738673.db2.gz YPZZKRDWVYGDKP-QFBILLFUSA-N 1 2 330.447 3.146 20 30 EGEDLO CC[C@H](C)CC(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001233927615 1376738675 /nfs/dbraw/zinc/73/86/75/1376738675.db2.gz YPZZKRDWVYGDKP-QFBILLFUSA-N 1 2 330.447 3.146 20 30 EGEDLO CC/C(C)=C\C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001234130568 1376774156 /nfs/dbraw/zinc/77/41/56/1376774156.db2.gz NHNWSDSVQZGKNQ-VDUFWMCCSA-N 1 2 328.431 3.066 20 30 EGEDLO CC/C(C)=C\C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001234130568 1376774163 /nfs/dbraw/zinc/77/41/63/1376774163.db2.gz NHNWSDSVQZGKNQ-VDUFWMCCSA-N 1 2 328.431 3.066 20 30 EGEDLO Cc1ccc(C[N@H+]2CC[C@@H]2CN(C)C(=O)C#CC(C)C)c(Cl)c1 ZINC001234163072 1376781328 /nfs/dbraw/zinc/78/13/28/1376781328.db2.gz XKSRBYZAVDLUMT-QGZVFWFLSA-N 1 2 332.875 3.341 20 30 EGEDLO Cc1ccc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)C#CC(C)C)c(Cl)c1 ZINC001234163072 1376781334 /nfs/dbraw/zinc/78/13/34/1376781334.db2.gz XKSRBYZAVDLUMT-QGZVFWFLSA-N 1 2 332.875 3.341 20 30 EGEDLO COc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)c(C#N)c1 ZINC001137698299 1377596896 /nfs/dbraw/zinc/59/68/96/1377596896.db2.gz RRCSFICAUQBCLW-UHFFFAOYSA-N 1 2 339.414 3.024 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CCC)C(=O)C2CCC2)C1 ZINC001753312474 1440357048 /nfs/dbraw/zinc/35/70/48/1440357048.db2.gz ZXEXWKNLRMECIB-CQSZACIVSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CCC)C(=O)C2CCC2)C1 ZINC001753312474 1440357049 /nfs/dbraw/zinc/35/70/49/1440357049.db2.gz ZXEXWKNLRMECIB-CQSZACIVSA-N 1 2 329.282 3.008 20 30 EGEDLO C#CCOc1ccc(C[N@@H+]2CCCC(F)(F)[C@@H](F)C2)cc1OC ZINC001138343682 1377706479 /nfs/dbraw/zinc/70/64/79/1377706479.db2.gz NWPYIHHPYDYYOF-INIZCTEOSA-N 1 2 327.346 3.276 20 30 EGEDLO C#CCOc1ccc(C[N@H+]2CCCC(F)(F)[C@@H](F)C2)cc1OC ZINC001138343682 1377706482 /nfs/dbraw/zinc/70/64/82/1377706482.db2.gz NWPYIHHPYDYYOF-INIZCTEOSA-N 1 2 327.346 3.276 20 30 EGEDLO COc1ccncc1C[NH+]1CCC(C#N)(c2ccccc2F)CC1 ZINC001139611541 1377918015 /nfs/dbraw/zinc/91/80/15/1377918015.db2.gz WJFJIFZPMJMMMG-UHFFFAOYSA-N 1 2 325.387 3.287 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C[N@@H+]2Cc2cc(C#N)ccc2F)C1 ZINC001139646003 1377925274 /nfs/dbraw/zinc/92/52/74/1377925274.db2.gz IRUNFWSHHQWHDH-WBVHZDCISA-N 1 2 345.418 3.139 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C[N@H+]2Cc2cc(C#N)ccc2F)C1 ZINC001139646003 1377925277 /nfs/dbraw/zinc/92/52/77/1377925277.db2.gz IRUNFWSHHQWHDH-WBVHZDCISA-N 1 2 345.418 3.139 20 30 EGEDLO Cc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1C#N ZINC001139722961 1377941079 /nfs/dbraw/zinc/94/10/79/1377941079.db2.gz MPKNNKQLPZZTDC-HNNXBMFYSA-N 1 2 329.444 3.308 20 30 EGEDLO Cc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1C#N ZINC001139722961 1377941080 /nfs/dbraw/zinc/94/10/80/1377941080.db2.gz MPKNNKQLPZZTDC-HNNXBMFYSA-N 1 2 329.444 3.308 20 30 EGEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C[C@@H]1NC(=O)OC(C)(C)C ZINC001140139344 1378018242 /nfs/dbraw/zinc/01/82/42/1378018242.db2.gz DWHPYBKNONFVDA-DYVFJYSZSA-N 1 2 347.434 3.432 20 30 EGEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H]1NC(=O)OC(C)(C)C ZINC001140139344 1378018246 /nfs/dbraw/zinc/01/82/46/1378018246.db2.gz DWHPYBKNONFVDA-DYVFJYSZSA-N 1 2 347.434 3.432 20 30 EGEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1nc2ccccc2[nH]1 ZINC001272668184 1378078191 /nfs/dbraw/zinc/07/81/91/1378078191.db2.gz IHBWGUMEVSGHKB-FQEVSTJZSA-N 1 2 338.455 3.096 20 30 EGEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1nc2ccccc2[nH]1 ZINC001272668184 1378078192 /nfs/dbraw/zinc/07/81/92/1378078192.db2.gz IHBWGUMEVSGHKB-FQEVSTJZSA-N 1 2 338.455 3.096 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC001140563842 1378085919 /nfs/dbraw/zinc/08/59/19/1378085919.db2.gz HIMIZWHJRMYJIZ-ZDUSSCGKSA-N 1 2 326.799 3.356 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC001140563842 1378085922 /nfs/dbraw/zinc/08/59/22/1378085922.db2.gz HIMIZWHJRMYJIZ-ZDUSSCGKSA-N 1 2 326.799 3.356 20 30 EGEDLO N#Cc1c(F)cc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1F ZINC001140751120 1378129338 /nfs/dbraw/zinc/12/93/38/1378129338.db2.gz KDMQRJYBXOAJRR-CQSZACIVSA-N 1 2 334.288 3.116 20 30 EGEDLO N#Cc1c(F)cc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1F ZINC001140751120 1378129341 /nfs/dbraw/zinc/12/93/41/1378129341.db2.gz KDMQRJYBXOAJRR-CQSZACIVSA-N 1 2 334.288 3.116 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)c1Cl ZINC001140810301 1378148056 /nfs/dbraw/zinc/14/80/56/1378148056.db2.gz ABKLUJVFQRZVSY-INIZCTEOSA-N 1 2 331.847 3.189 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N2CCCC2)c1Cl ZINC001140810301 1378148060 /nfs/dbraw/zinc/14/80/60/1378148060.db2.gz ABKLUJVFQRZVSY-INIZCTEOSA-N 1 2 331.847 3.189 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1sc(CCC)nc1C ZINC001276000856 1378166806 /nfs/dbraw/zinc/16/68/06/1378166806.db2.gz DEBJGGLGYAXWCY-NSHDSACASA-N 1 2 329.897 3.207 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1sc(CCC)nc1C ZINC001276000856 1378166808 /nfs/dbraw/zinc/16/68/08/1378166808.db2.gz DEBJGGLGYAXWCY-NSHDSACASA-N 1 2 329.897 3.207 20 30 EGEDLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(OC(F)(F)F)c(F)c2)C1 ZINC001140886362 1378169591 /nfs/dbraw/zinc/16/95/91/1378169591.db2.gz WKOREBWURCODON-LLVKDONJSA-N 1 2 347.230 3.223 20 30 EGEDLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(OC(F)(F)F)c(F)c2)C1 ZINC001140886362 1378169597 /nfs/dbraw/zinc/16/95/97/1378169597.db2.gz WKOREBWURCODON-LLVKDONJSA-N 1 2 347.230 3.223 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1C#N)C2 ZINC001141164887 1378255655 /nfs/dbraw/zinc/25/56/55/1378255655.db2.gz MHXLBRULWKGKEV-OALUTQOASA-N 1 2 330.403 3.023 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(F)cc1C#N)C2 ZINC001141164887 1378255657 /nfs/dbraw/zinc/25/56/57/1378255657.db2.gz MHXLBRULWKGKEV-OALUTQOASA-N 1 2 330.403 3.023 20 30 EGEDLO COc1cccnc1O[C@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC001141167460 1378257196 /nfs/dbraw/zinc/25/71/96/1378257196.db2.gz KXFCDHXHKRTDCO-KRWDZBQOSA-N 1 2 341.386 3.144 20 30 EGEDLO COc1cccnc1O[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC001141167460 1378257202 /nfs/dbraw/zinc/25/72/02/1378257202.db2.gz KXFCDHXHKRTDCO-KRWDZBQOSA-N 1 2 341.386 3.144 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@](F)(CO)CC1 ZINC001141807361 1378380378 /nfs/dbraw/zinc/38/03/78/1378380378.db2.gz DNOJRUPSZMFIAF-OAHLLOKOSA-N 1 2 341.224 3.007 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@](F)(CO)CC1 ZINC001141807361 1378380385 /nfs/dbraw/zinc/38/03/85/1378380385.db2.gz DNOJRUPSZMFIAF-OAHLLOKOSA-N 1 2 341.224 3.007 20 30 EGEDLO FCCN1CC[NH+](Cc2ccc(C#Cc3ccccc3)s2)CC1 ZINC001141977974 1378400623 /nfs/dbraw/zinc/40/06/23/1378400623.db2.gz VIEFOCJWNYJBLV-UHFFFAOYSA-N 1 2 328.456 3.235 20 30 EGEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC001143716873 1378637735 /nfs/dbraw/zinc/63/77/35/1378637735.db2.gz YIADMDKZQBYKJZ-UHFFFAOYSA-N 1 2 326.831 3.319 20 30 EGEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCCN(c2ccccn2)CC1 ZINC001143716873 1378637736 /nfs/dbraw/zinc/63/77/36/1378637736.db2.gz YIADMDKZQBYKJZ-UHFFFAOYSA-N 1 2 326.831 3.319 20 30 EGEDLO COc1cccc([C@H]2CSCC[N@@H+]2Cc2cncc(C#N)c2)c1 ZINC001144086077 1378681948 /nfs/dbraw/zinc/68/19/48/1378681948.db2.gz LDUMXLKQDAOVFA-GOSISDBHSA-N 1 2 325.437 3.252 20 30 EGEDLO COc1cccc([C@H]2CSCC[N@H+]2Cc2cncc(C#N)c2)c1 ZINC001144086077 1378681952 /nfs/dbraw/zinc/68/19/52/1378681952.db2.gz LDUMXLKQDAOVFA-GOSISDBHSA-N 1 2 325.437 3.252 20 30 EGEDLO CCOC(=O)C1CCN(c2ccccc2C[N@H+](CC)CCC#N)CC1 ZINC001144096408 1378682661 /nfs/dbraw/zinc/68/26/61/1378682661.db2.gz JVGWCRTZTIZUCE-UHFFFAOYSA-N 1 2 343.471 3.202 20 30 EGEDLO CCOC(=O)C1CCN(c2ccccc2C[N@@H+](CC)CCC#N)CC1 ZINC001144096408 1378682663 /nfs/dbraw/zinc/68/26/63/1378682663.db2.gz JVGWCRTZTIZUCE-UHFFFAOYSA-N 1 2 343.471 3.202 20 30 EGEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC001144576195 1378747596 /nfs/dbraw/zinc/74/75/96/1378747596.db2.gz FJAKUOHLOFMVKZ-UHFFFAOYSA-N 1 2 338.838 3.279 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C(C)C)o1)C2 ZINC001148096300 1379118122 /nfs/dbraw/zinc/11/81/22/1379118122.db2.gz YYUAOOKEDIGCOI-JKSUJKDBSA-N 1 2 345.487 3.291 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C(C)C)o1)C2 ZINC001148096300 1379118125 /nfs/dbraw/zinc/11/81/25/1379118125.db2.gz YYUAOOKEDIGCOI-JKSUJKDBSA-N 1 2 345.487 3.291 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)c2ccc(OC(F)(F)F)c(Cl)c2)CC1 ZINC001149033211 1379313112 /nfs/dbraw/zinc/31/31/12/1379313112.db2.gz IWWQYYIQCPUPGS-UHFFFAOYSA-N 1 2 348.752 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](CCC)C(C)C)C1 ZINC001150385473 1379543162 /nfs/dbraw/zinc/54/31/62/1379543162.db2.gz BRGHAAQFBMYVHJ-JKSUJKDBSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H](CCC)C(C)C)C1 ZINC001150385473 1379543169 /nfs/dbraw/zinc/54/31/69/1379543169.db2.gz BRGHAAQFBMYVHJ-JKSUJKDBSA-N 1 2 330.900 3.018 20 30 EGEDLO C=CCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1noc2c1CC(C)(C)CC2 ZINC001152312765 1379905635 /nfs/dbraw/zinc/90/56/35/1379905635.db2.gz AKDJVIZNSJLGNR-OAHLLOKOSA-N 1 2 347.503 3.482 20 30 EGEDLO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1noc2c1CC(C)(C)CC2 ZINC001152312765 1379905641 /nfs/dbraw/zinc/90/56/41/1379905641.db2.gz AKDJVIZNSJLGNR-OAHLLOKOSA-N 1 2 347.503 3.482 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001152604892 1379957206 /nfs/dbraw/zinc/95/72/06/1379957206.db2.gz XSLWHELNIYMDAQ-KBXIAJHMSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001152604892 1379957208 /nfs/dbraw/zinc/95/72/08/1379957208.db2.gz XSLWHELNIYMDAQ-KBXIAJHMSA-N 1 2 343.309 3.158 20 30 EGEDLO C#CCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(C(C)(C)C)on1 ZINC001153024937 1380010457 /nfs/dbraw/zinc/01/04/57/1380010457.db2.gz GRJBGFCPFQPVDK-OAHLLOKOSA-N 1 2 333.476 3.102 20 30 EGEDLO C#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(C(C)(C)C)on1 ZINC001153024937 1380010459 /nfs/dbraw/zinc/01/04/59/1380010459.db2.gz GRJBGFCPFQPVDK-OAHLLOKOSA-N 1 2 333.476 3.102 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C1CC(C)(C)C1 ZINC001153096786 1380019641 /nfs/dbraw/zinc/01/96/41/1380019641.db2.gz TZZYSDDUTDCAIY-GFCCVEGCSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C1CC(C)(C)C1 ZINC001153096786 1380019645 /nfs/dbraw/zinc/01/96/45/1380019645.db2.gz TZZYSDDUTDCAIY-GFCCVEGCSA-N 1 2 331.298 3.158 20 30 EGEDLO C=CCC1(C(=O)NCC[NH2+][C@H](C)c2nc(C(C)C)no2)CCCC1 ZINC001153809054 1380133620 /nfs/dbraw/zinc/13/36/20/1380133620.db2.gz ABEFKWPHPXAQLG-CQSZACIVSA-N 1 2 334.464 3.096 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)CC1(C)CC1 ZINC001154373219 1380266501 /nfs/dbraw/zinc/26/65/01/1380266501.db2.gz ACTXINPMQOZUMU-CQSZACIVSA-N 1 2 331.435 3.214 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)CC1(C)CC1 ZINC001154373219 1380266503 /nfs/dbraw/zinc/26/65/03/1380266503.db2.gz ACTXINPMQOZUMU-CQSZACIVSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C1(C2CC2)CCC1 ZINC001154500885 1380291935 /nfs/dbraw/zinc/29/19/35/1380291935.db2.gz PEPUMIIEKZTRID-CYBMUJFWSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C1(C2CC2)CCC1 ZINC001154500885 1380291937 /nfs/dbraw/zinc/29/19/37/1380291937.db2.gz PEPUMIIEKZTRID-CYBMUJFWSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1coc(C2CC2)n1 ZINC001154584506 1380310861 /nfs/dbraw/zinc/31/08/61/1380310861.db2.gz KQHPYLIJYRWNHC-CQSZACIVSA-N 1 2 333.476 3.481 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1coc(C2CC2)n1 ZINC001154584506 1380310864 /nfs/dbraw/zinc/31/08/64/1380310864.db2.gz KQHPYLIJYRWNHC-CQSZACIVSA-N 1 2 333.476 3.481 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[N@H+](CC)CC(=C)Br ZINC001154742890 1380343910 /nfs/dbraw/zinc/34/39/10/1380343910.db2.gz NZXBAZXOWCNJNR-GXTWGEPZSA-N 1 2 331.298 3.324 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)Br ZINC001154742890 1380343911 /nfs/dbraw/zinc/34/39/11/1380343911.db2.gz NZXBAZXOWCNJNR-GXTWGEPZSA-N 1 2 331.298 3.324 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1nc2c(o1)CCCC2 ZINC001154747257 1380344409 /nfs/dbraw/zinc/34/44/09/1380344409.db2.gz MEFVROORHXLKHO-MRXNPFEDSA-N 1 2 345.487 3.074 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc2c(o1)CCCC2 ZINC001154747257 1380344410 /nfs/dbraw/zinc/34/44/10/1380344410.db2.gz MEFVROORHXLKHO-MRXNPFEDSA-N 1 2 345.487 3.074 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C1(CC)CC1 ZINC001155056408 1380400055 /nfs/dbraw/zinc/40/00/55/1380400055.db2.gz OHTNLBWGDYUCPR-CQSZACIVSA-N 1 2 331.435 3.214 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C1(CC)CC1 ZINC001155056408 1380400059 /nfs/dbraw/zinc/40/00/59/1380400059.db2.gz OHTNLBWGDYUCPR-CQSZACIVSA-N 1 2 331.435 3.214 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@H]1CC12CCC2 ZINC001155504191 1380462200 /nfs/dbraw/zinc/46/22/00/1380462200.db2.gz UKHAXFYGADNNFS-RDTXWAMCSA-N 1 2 343.446 3.214 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@H]1CC12CCC2 ZINC001155504191 1380462201 /nfs/dbraw/zinc/46/22/01/1380462201.db2.gz UKHAXFYGADNNFS-RDTXWAMCSA-N 1 2 343.446 3.214 20 30 EGEDLO Cc1nc(C#Cc2ccnc(NC=[NH2+])c2)c(C)n1-c1ccc(F)cc1 ZINC001157078535 1380769733 /nfs/dbraw/zinc/76/97/33/1380769733.db2.gz OQKPPNWFRZTJCG-UHFFFAOYSA-N 1 2 333.370 3.442 20 30 EGEDLO Cc1[nH+]c(N2CC[C@@]3(c4ccccc4OC3=O)C2(C)C)ccc1CC#N ZINC001157600474 1380977123 /nfs/dbraw/zinc/97/71/23/1380977123.db2.gz JBYRCQDJPSUKPB-NRFANRHFSA-N 1 2 347.418 3.302 20 30 EGEDLO CCCCCCCC(=O)c1ccc(O)c(C(=O)N2CC(C)([NH3+])C2)c1 ZINC001157665111 1380993591 /nfs/dbraw/zinc/99/35/91/1380993591.db2.gz LUZNFUIIQZJIPV-UHFFFAOYSA-N 1 2 332.444 3.109 20 30 EGEDLO C#CCCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@@H](C)c1ncccn1 ZINC001157856801 1381052657 /nfs/dbraw/zinc/05/26/57/1381052657.db2.gz NSLSUXMKZMDJNU-ZWKOTPCHSA-N 1 2 342.487 3.044 20 30 EGEDLO C#CCCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@@H](C)c1ncccn1 ZINC001157856801 1381052661 /nfs/dbraw/zinc/05/26/61/1381052661.db2.gz NSLSUXMKZMDJNU-ZWKOTPCHSA-N 1 2 342.487 3.044 20 30 EGEDLO CC(C)C#CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(C(C)C)o1 ZINC001157939656 1381077014 /nfs/dbraw/zinc/07/70/14/1381077014.db2.gz HRYGFVOMUKTJPD-QGZVFWFLSA-N 1 2 345.487 3.270 20 30 EGEDLO CC(C)C#CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(C(C)C)o1 ZINC001157939656 1381077018 /nfs/dbraw/zinc/07/70/18/1381077018.db2.gz HRYGFVOMUKTJPD-QGZVFWFLSA-N 1 2 345.487 3.270 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@@H](C)c1ncccn1 ZINC001158011839 1381102022 /nfs/dbraw/zinc/10/20/22/1381102022.db2.gz REAGBZCEVDKVNF-DLBZAZTESA-N 1 2 330.476 3.207 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@@H](C)c1ncccn1 ZINC001158011839 1381102024 /nfs/dbraw/zinc/10/20/24/1381102024.db2.gz REAGBZCEVDKVNF-DLBZAZTESA-N 1 2 330.476 3.207 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1coc(C)n1 ZINC001158369171 1381220591 /nfs/dbraw/zinc/22/05/91/1381220591.db2.gz CUHYNROCKXXCQO-CRAIPNDOSA-N 1 2 333.476 3.398 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1coc(C)n1 ZINC001158369171 1381220596 /nfs/dbraw/zinc/22/05/96/1381220596.db2.gz CUHYNROCKXXCQO-CRAIPNDOSA-N 1 2 333.476 3.398 20 30 EGEDLO CC(C)(F)C(=O)NCCC1=CC[N@H+](Cc2cc(F)ccc2C#N)CC1 ZINC001159040844 1381534991 /nfs/dbraw/zinc/53/49/91/1381534991.db2.gz LEDRMXKHVSBYSD-UHFFFAOYSA-N 1 2 347.409 3.084 20 30 EGEDLO CC(C)(F)C(=O)NCCC1=CC[N@@H+](Cc2cc(F)ccc2C#N)CC1 ZINC001159040844 1381534994 /nfs/dbraw/zinc/53/49/94/1381534994.db2.gz LEDRMXKHVSBYSD-UHFFFAOYSA-N 1 2 347.409 3.084 20 30 EGEDLO C=CCCCNc1[nH+]cnc2c1ccn2S(=O)(=O)c1ccccc1 ZINC001159259651 1381744907 /nfs/dbraw/zinc/74/49/07/1381744907.db2.gz OSSDGSFDWITZLX-UHFFFAOYSA-N 1 2 342.424 3.046 20 30 EGEDLO CC(C)C(=O)NCCC1=CC[N@H+](CC#Cc2ccccc2Cl)CC1 ZINC001159293303 1381754130 /nfs/dbraw/zinc/75/41/30/1381754130.db2.gz YWNXJUFTTPMFCC-UHFFFAOYSA-N 1 2 344.886 3.486 20 30 EGEDLO CC(C)C(=O)NCCC1=CC[N@@H+](CC#Cc2ccccc2Cl)CC1 ZINC001159293303 1381754135 /nfs/dbraw/zinc/75/41/35/1381754135.db2.gz YWNXJUFTTPMFCC-UHFFFAOYSA-N 1 2 344.886 3.486 20 30 EGEDLO C=CCn1cc(Nc2ccc(O[C@@H]3CC[NH2+]CC3(F)F)cc2)cn1 ZINC001160349157 1382080197 /nfs/dbraw/zinc/08/01/97/1382080197.db2.gz DCGFDMOPIUHYQY-MRXNPFEDSA-N 1 2 334.370 3.189 20 30 EGEDLO N#Cc1cncc(Nc2ccc(O[C@@H]3CC[NH2+]CC3(F)F)cc2)c1 ZINC001160348732 1382080307 /nfs/dbraw/zinc/08/03/07/1382080307.db2.gz BQHPSZKZOLNAJI-MRXNPFEDSA-N 1 2 330.338 3.073 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2ncc(C)o2)CC1 ZINC001160940803 1382242942 /nfs/dbraw/zinc/24/29/42/1382242942.db2.gz GKOYRYHOGDIFLM-HOCLYGCPSA-N 1 2 331.460 3.080 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2ncc(C)o2)CC1 ZINC001160940803 1382242946 /nfs/dbraw/zinc/24/29/46/1382242946.db2.gz GKOYRYHOGDIFLM-HOCLYGCPSA-N 1 2 331.460 3.080 20 30 EGEDLO CC#CCCCC(=O)NCCC1=CC[N@H+](Cc2nc(C)c(C)o2)CC1 ZINC001160960949 1382251616 /nfs/dbraw/zinc/25/16/16/1382251616.db2.gz CUQBYMOCZAJMAI-UHFFFAOYSA-N 1 2 343.471 3.123 20 30 EGEDLO CC#CCCCC(=O)NCCC1=CC[N@@H+](Cc2nc(C)c(C)o2)CC1 ZINC001160960949 1382251621 /nfs/dbraw/zinc/25/16/21/1382251621.db2.gz CUQBYMOCZAJMAI-UHFFFAOYSA-N 1 2 343.471 3.123 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001160967377 1382254105 /nfs/dbraw/zinc/25/41/05/1382254105.db2.gz HUYXDUHWTNLFOH-GJZGRUSLSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@H+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001160967377 1382254108 /nfs/dbraw/zinc/25/41/08/1382254108.db2.gz HUYXDUHWTNLFOH-GJZGRUSLSA-N 1 2 346.475 3.180 20 30 EGEDLO N#Cc1ccc2cc[nH+]c(NC3CCN(C(=O)C4CCC4)CC3)c2c1 ZINC001161112443 1382300888 /nfs/dbraw/zinc/30/08/88/1382300888.db2.gz ILYUEXUNTOPQPV-UHFFFAOYSA-N 1 2 334.423 3.309 20 30 EGEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCc2cccn2C)[nH+]1 ZINC001162709323 1382843727 /nfs/dbraw/zinc/84/37/27/1382843727.db2.gz CRLMDYQTVKRCEQ-QNJILJPISA-N 1 2 332.473 3.222 20 30 EGEDLO C=CCCC(=O)N(CC[NH2+]Cc1ncc(C)o1)CCc1ccccc1 ZINC001162732307 1382850527 /nfs/dbraw/zinc/85/05/27/1382850527.db2.gz CNPRMSZLFSXVMU-UHFFFAOYSA-N 1 2 341.455 3.110 20 30 EGEDLO [NH2+]=C(Nc1cnc(F)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC001163684528 1383105075 /nfs/dbraw/zinc/10/50/75/1383105075.db2.gz ZYYXHWCVJAJELR-UHFFFAOYSA-N 1 2 328.225 3.185 20 30 EGEDLO [NH2+]=C(Nc1cnc(OCC2CC2)nc1)c1ccc(C(F)(F)F)cc1 ZINC001163685582 1383106014 /nfs/dbraw/zinc/10/60/14/1383106014.db2.gz PMEZVMMJZYUIMP-UHFFFAOYSA-N 1 2 336.317 3.321 20 30 EGEDLO Cc1nc([C@@H]2COCCN2c2[nH+]ccc3ccc(C#N)cc32)cs1 ZINC001165679167 1383324199 /nfs/dbraw/zinc/32/41/99/1383324199.db2.gz NTYAMYKIXVECHY-KRWDZBQOSA-N 1 2 336.420 3.449 20 30 EGEDLO Cc1[nH+]cn(-c2ccc(NC(C)(C)c3ccc(C#N)cc3)nn2)c1C ZINC001165742345 1383337114 /nfs/dbraw/zinc/33/71/14/1383337114.db2.gz BWMDQDJRESSJLO-UHFFFAOYSA-N 1 2 332.411 3.498 20 30 EGEDLO C=CCOCc1nn(C)c2c1CN(c1ccc(C(C)(C)C)c[nH+]1)CC2 ZINC001165787936 1383344579 /nfs/dbraw/zinc/34/45/79/1383344579.db2.gz MPFFPJZBGNTDFI-UHFFFAOYSA-N 1 2 340.471 3.378 20 30 EGEDLO COC(=O)[C@](C)(Cc1ccccc1)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171191884 1384465055 /nfs/dbraw/zinc/46/50/55/1384465055.db2.gz HAKMNNMPPPDXOV-KKSFZXQISA-N 1 2 336.435 3.253 20 30 EGEDLO O=C1C=C2C[N@H+]([C@@H]3CCc4cc(F)c(F)c(F)c4C3)CC[C@@H]2S1 ZINC001171534059 1384554461 /nfs/dbraw/zinc/55/44/61/1384554461.db2.gz DKMSDVYRQYSBLU-RISCZKNCSA-N 1 2 339.382 3.235 20 30 EGEDLO O=C1C=C2C[N@@H+]([C@@H]3CCc4cc(F)c(F)c(F)c4C3)CC[C@@H]2S1 ZINC001171534059 1384554467 /nfs/dbraw/zinc/55/44/67/1384554467.db2.gz DKMSDVYRQYSBLU-RISCZKNCSA-N 1 2 339.382 3.235 20 30 EGEDLO CCOCc1cnc2n1CC[N@H+]([C@H](C)Cc1ccc(C#N)cc1)[C@H]2C ZINC001172305791 1384764338 /nfs/dbraw/zinc/76/43/38/1384764338.db2.gz UOUAQWCAQSVHIA-CVEARBPZSA-N 1 2 338.455 3.299 20 30 EGEDLO CCOCc1cnc2n1CC[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)[C@H]2C ZINC001172305791 1384764340 /nfs/dbraw/zinc/76/43/40/1384764340.db2.gz UOUAQWCAQSVHIA-CVEARBPZSA-N 1 2 338.455 3.299 20 30 EGEDLO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C1 ZINC001172320650 1384769924 /nfs/dbraw/zinc/76/99/24/1384769924.db2.gz XNTSWHIBUNHERU-XOKHGSTOSA-N 1 2 347.434 3.036 20 30 EGEDLO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C1 ZINC001172320650 1384769930 /nfs/dbraw/zinc/76/99/30/1384769930.db2.gz XNTSWHIBUNHERU-XOKHGSTOSA-N 1 2 347.434 3.036 20 30 EGEDLO C=CCOC1CCC([N@H+]2Cc3nnc(C(F)(F)F)n3[C@@H](C)C2)CC1 ZINC001173322338 1384958777 /nfs/dbraw/zinc/95/87/77/1384958777.db2.gz BVYFSZYBYBCQRZ-HIFPTAJRSA-N 1 2 344.381 3.187 20 30 EGEDLO C=CCOC1CCC([N@@H+]2Cc3nnc(C(F)(F)F)n3[C@@H](C)C2)CC1 ZINC001173322338 1384958782 /nfs/dbraw/zinc/95/87/82/1384958782.db2.gz BVYFSZYBYBCQRZ-HIFPTAJRSA-N 1 2 344.381 3.187 20 30 EGEDLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(C#N)cc2F)n1 ZINC001335888401 1388959775 /nfs/dbraw/zinc/95/97/75/1388959775.db2.gz KELWWEQYLDMRMM-UHFFFAOYSA-N 1 2 332.404 3.248 20 30 EGEDLO CCOC(=O)[C@H]1CCCc2sc(NC3=CCC[N@H+](C)C3)c(C#N)c21 ZINC001175574228 1385336441 /nfs/dbraw/zinc/33/64/41/1385336441.db2.gz RBKJNAVIHTZDRD-ZDUSSCGKSA-N 1 2 345.468 3.234 20 30 EGEDLO CCOC(=O)[C@H]1CCCc2sc(NC3=CCC[N@@H+](C)C3)c(C#N)c21 ZINC001175574228 1385336444 /nfs/dbraw/zinc/33/64/44/1385336444.db2.gz RBKJNAVIHTZDRD-ZDUSSCGKSA-N 1 2 345.468 3.234 20 30 EGEDLO CCOC(=O)[C@H]1CCCc2sc(N=C3CCC[N@H+](C)C3)c(C#N)c21 ZINC001175574228 1385336448 /nfs/dbraw/zinc/33/64/48/1385336448.db2.gz RBKJNAVIHTZDRD-ZDUSSCGKSA-N 1 2 345.468 3.234 20 30 EGEDLO CCOC(=O)[C@H]1CCCc2sc(N=C3CCC[N@@H+](C)C3)c(C#N)c21 ZINC001175574228 1385336460 /nfs/dbraw/zinc/33/64/60/1385336460.db2.gz RBKJNAVIHTZDRD-ZDUSSCGKSA-N 1 2 345.468 3.234 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cccc3[nH]ncc32)C1 ZINC001317762969 1385452302 /nfs/dbraw/zinc/45/23/02/1385452302.db2.gz GGKZZMBHGQCQMQ-CQSZACIVSA-N 1 2 346.862 3.242 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cccc3[nH]ncc32)C1 ZINC001317762969 1385452304 /nfs/dbraw/zinc/45/23/04/1385452304.db2.gz GGKZZMBHGQCQMQ-CQSZACIVSA-N 1 2 346.862 3.242 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2ccncc2Cl)C1 ZINC001317767520 1385457389 /nfs/dbraw/zinc/45/73/89/1385457389.db2.gz QINCFALYWDYYNS-ZDUSSCGKSA-N 1 2 342.270 3.414 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccncc2Cl)C1 ZINC001317767520 1385457391 /nfs/dbraw/zinc/45/73/91/1385457391.db2.gz QINCFALYWDYYNS-ZDUSSCGKSA-N 1 2 342.270 3.414 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)CC(CC)CC)C1 ZINC001318442983 1385693109 /nfs/dbraw/zinc/69/31/09/1385693109.db2.gz ORGMYULBXCQBIA-AWEZNQCLSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)CC(CC)CC)C1 ZINC001318442983 1385693115 /nfs/dbraw/zinc/69/31/15/1385693115.db2.gz ORGMYULBXCQBIA-AWEZNQCLSA-N 1 2 331.298 3.254 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2OCC[N@@H+](Cc3ccc(C)cc3)[C@H]2C1 ZINC001177072996 1385795368 /nfs/dbraw/zinc/79/53/68/1385795368.db2.gz MWCZZKBTZIRNRJ-VQTJNVASSA-N 1 2 342.483 3.153 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2OCC[N@H+](Cc3ccc(C)cc3)[C@H]2C1 ZINC001177072996 1385795371 /nfs/dbraw/zinc/79/53/71/1385795371.db2.gz MWCZZKBTZIRNRJ-VQTJNVASSA-N 1 2 342.483 3.153 20 30 EGEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCCCCCCCC)C[C@@H]21 ZINC001177138496 1385829388 /nfs/dbraw/zinc/82/93/88/1385829388.db2.gz LWFBMPQWMHZSKX-VQTJNVASSA-N 1 2 348.531 3.452 20 30 EGEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCCCCCCC)C[C@@H]21 ZINC001177138496 1385829390 /nfs/dbraw/zinc/82/93/90/1385829390.db2.gz LWFBMPQWMHZSKX-VQTJNVASSA-N 1 2 348.531 3.452 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)CC(C)(C)C)C[C@@H]21 ZINC001177150195 1385835403 /nfs/dbraw/zinc/83/54/03/1385835403.db2.gz JEJMMNWKBJSNLY-DLBZAZTESA-N 1 2 336.520 3.327 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)CC(C)(C)C)C[C@@H]21 ZINC001177150195 1385835409 /nfs/dbraw/zinc/83/54/09/1385835409.db2.gz JEJMMNWKBJSNLY-DLBZAZTESA-N 1 2 336.520 3.327 20 30 EGEDLO C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)C(F)C(F)(F)F ZINC001177323542 1385914836 /nfs/dbraw/zinc/91/48/36/1385914836.db2.gz ARCVFNVGGHEORS-AWEZNQCLSA-N 1 2 338.389 3.461 20 30 EGEDLO C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](F)C(F)(F)F ZINC001177323542 1385914839 /nfs/dbraw/zinc/91/48/39/1385914839.db2.gz ARCVFNVGGHEORS-AWEZNQCLSA-N 1 2 338.389 3.461 20 30 EGEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC001319882369 1386359478 /nfs/dbraw/zinc/35/94/78/1386359478.db2.gz WOZUVQMICKZSGS-ZDUSSCGKSA-N 1 2 342.830 3.040 20 30 EGEDLO CN(C)c1cc(CSCCC(=O)Nc2cccc(C#N)c2)cc[nH+]1 ZINC001320279393 1386567489 /nfs/dbraw/zinc/56/74/89/1386567489.db2.gz FUDYHBDKQJEDBH-UHFFFAOYSA-N 1 2 340.452 3.281 20 30 EGEDLO Cn1ccc(N=NC2CC[NH+](Cc3c(F)cccc3Cl)CC2)n1 ZINC001321825362 1386991989 /nfs/dbraw/zinc/99/19/89/1386991989.db2.gz KSEZSTKUARIZRR-UHFFFAOYSA-N 1 2 335.814 3.277 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCc1ccc(F)cc1F ZINC001322274138 1387133442 /nfs/dbraw/zinc/13/34/42/1387133442.db2.gz MBLZSWVSTJSIBE-LBPRGKRZSA-N 1 2 330.806 3.086 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCc1ccc(F)cc1F ZINC001322274138 1387133446 /nfs/dbraw/zinc/13/34/46/1387133446.db2.gz MBLZSWVSTJSIBE-LBPRGKRZSA-N 1 2 330.806 3.086 20 30 EGEDLO Cc1ccc(C#N)cc1C(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001336053457 1389000478 /nfs/dbraw/zinc/00/04/78/1389000478.db2.gz KPTALMQQXZZAKL-SFHVURJKSA-N 1 2 339.826 3.307 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@H](C2CCC2)C1 ZINC001338895669 1389809947 /nfs/dbraw/zinc/80/99/47/1389809947.db2.gz KVIXJFLTXNRFLK-IRXDYDNUSA-N 1 2 329.492 3.247 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H](C2CCC2)C1 ZINC001338895669 1389809954 /nfs/dbraw/zinc/80/99/54/1389809954.db2.gz KVIXJFLTXNRFLK-IRXDYDNUSA-N 1 2 329.492 3.247 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H](C2CCC2)C1 ZINC001338895664 1389810047 /nfs/dbraw/zinc/81/00/47/1389810047.db2.gz KVIXJFLTXNRFLK-IAGOWNOFSA-N 1 2 329.492 3.247 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H](C2CCC2)C1 ZINC001338895664 1389810053 /nfs/dbraw/zinc/81/00/53/1389810053.db2.gz KVIXJFLTXNRFLK-IAGOWNOFSA-N 1 2 329.492 3.247 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H]1C1CCC1 ZINC001339528098 1390056887 /nfs/dbraw/zinc/05/68/87/1390056887.db2.gz CDNQHLZDWDPICP-SJORKVTESA-N 1 2 329.492 3.390 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H]1C1CCC1 ZINC001339528098 1390056891 /nfs/dbraw/zinc/05/68/91/1390056891.db2.gz CDNQHLZDWDPICP-SJORKVTESA-N 1 2 329.492 3.390 20 30 EGEDLO CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)C[C@@H](C)C#N ZINC001341021826 1390426941 /nfs/dbraw/zinc/42/69/41/1390426941.db2.gz MVHVOELGHPXVBG-HOTGVXAUSA-N 1 2 340.475 3.087 20 30 EGEDLO CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)C[C@@H](C)C#N ZINC001341021826 1390426942 /nfs/dbraw/zinc/42/69/42/1390426942.db2.gz MVHVOELGHPXVBG-HOTGVXAUSA-N 1 2 340.475 3.087 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCc2ccsc2C1 ZINC001341903096 1390547385 /nfs/dbraw/zinc/54/73/85/1390547385.db2.gz KVYPMOXYQOTZLL-HNNXBMFYSA-N 1 2 343.500 3.245 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCc2ccsc2C1 ZINC001341903096 1390547388 /nfs/dbraw/zinc/54/73/88/1390547388.db2.gz KVYPMOXYQOTZLL-HNNXBMFYSA-N 1 2 343.500 3.245 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)Cc1ccoc1C ZINC001342002046 1390560423 /nfs/dbraw/zinc/56/04/23/1390560423.db2.gz BGNXRMUCSIDWGK-MRXNPFEDSA-N 1 2 329.448 3.159 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N(C)Cc1ccoc1C ZINC001342002046 1390560425 /nfs/dbraw/zinc/56/04/25/1390560425.db2.gz BGNXRMUCSIDWGK-MRXNPFEDSA-N 1 2 329.448 3.159 20 30 EGEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)C[C@@H](C)CC ZINC001342307234 1390599186 /nfs/dbraw/zinc/59/91/86/1390599186.db2.gz ZWZCAANXRMOCKF-INIZCTEOSA-N 1 2 344.507 3.039 20 30 EGEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(CC)CCCC ZINC001343007526 1390683439 /nfs/dbraw/zinc/68/34/39/1390683439.db2.gz PQLPBRVQTOEYMT-QGZVFWFLSA-N 1 2 349.523 3.262 20 30 EGEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(CC)CCCC ZINC001343007526 1390683441 /nfs/dbraw/zinc/68/34/41/1390683441.db2.gz PQLPBRVQTOEYMT-QGZVFWFLSA-N 1 2 349.523 3.262 20 30 EGEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)C[C@@H](C)CC ZINC001343007741 1390683444 /nfs/dbraw/zinc/68/34/44/1390683444.db2.gz SBSVYCYLOCDGHG-IRXDYDNUSA-N 1 2 349.523 3.118 20 30 EGEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)C[C@@H](C)CC ZINC001343007741 1390683446 /nfs/dbraw/zinc/68/34/46/1390683446.db2.gz SBSVYCYLOCDGHG-IRXDYDNUSA-N 1 2 349.523 3.118 20 30 EGEDLO C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC001345840822 1390888518 /nfs/dbraw/zinc/88/85/18/1390888518.db2.gz IDMXFQSMNJYSCV-MRXNPFEDSA-N 1 2 344.459 3.189 20 30 EGEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@H]1CCC[C@H](C)C1 ZINC001345994692 1390899390 /nfs/dbraw/zinc/89/93/90/1390899390.db2.gz UOQHDZHTIMXOQL-HOTGVXAUSA-N 1 2 342.491 3.193 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)C[C@@H]1CCCCO1 ZINC001346627311 1390962890 /nfs/dbraw/zinc/96/28/90/1390962890.db2.gz KYFZYUQNCKTING-DLBZAZTESA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)C[C@@H]1CCCCO1 ZINC001346627311 1390962891 /nfs/dbraw/zinc/96/28/91/1390962891.db2.gz KYFZYUQNCKTING-DLBZAZTESA-N 1 2 347.507 3.016 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001351614948 1391657639 /nfs/dbraw/zinc/65/76/39/1391657639.db2.gz BPRMZBOXFQAIPF-VQIMIIECSA-N 1 2 347.507 3.016 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001351614948 1391657642 /nfs/dbraw/zinc/65/76/42/1391657642.db2.gz BPRMZBOXFQAIPF-VQIMIIECSA-N 1 2 347.507 3.016 20 30 EGEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC=CCC1 ZINC001351947878 1391721608 /nfs/dbraw/zinc/72/16/08/1391721608.db2.gz BDJWRHINGGKSFG-KRWDZBQOSA-N 1 2 337.471 3.423 20 30 EGEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC=CCC1 ZINC001351947878 1391721612 /nfs/dbraw/zinc/72/16/12/1391721612.db2.gz BDJWRHINGGKSFG-KRWDZBQOSA-N 1 2 337.471 3.423 20 30 EGEDLO N#Cc1ccc(Br)nc1NCCCCNc1cccc[nH+]1 ZINC001354101911 1392120346 /nfs/dbraw/zinc/12/03/46/1392120346.db2.gz IOEKZGJHSZHJHJ-UHFFFAOYSA-N 1 2 346.232 3.415 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)COC1CCCCC1 ZINC001480320468 1392680812 /nfs/dbraw/zinc/68/08/12/1392680812.db2.gz VKIDSIPUPNUTHQ-OAHLLOKOSA-N 1 2 328.884 3.059 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)COC1CCCCC1 ZINC001480320468 1392680813 /nfs/dbraw/zinc/68/08/13/1392680813.db2.gz VKIDSIPUPNUTHQ-OAHLLOKOSA-N 1 2 328.884 3.059 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)Cc1nc(C)sc1C ZINC001491214401 1394474430 /nfs/dbraw/zinc/47/44/30/1394474430.db2.gz PUJNAYUFPZHOLU-CQSZACIVSA-N 1 2 341.908 3.026 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1nc(C)sc1C ZINC001491214401 1394474431 /nfs/dbraw/zinc/47/44/31/1394474431.db2.gz PUJNAYUFPZHOLU-CQSZACIVSA-N 1 2 341.908 3.026 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001482061499 1394722418 /nfs/dbraw/zinc/72/24/18/1394722418.db2.gz HIDIOQONVBRPOM-HUUCEWRRSA-N 1 2 348.491 3.050 20 30 EGEDLO C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)c1cc(C)cc2c[nH]nc21 ZINC001482396461 1394957868 /nfs/dbraw/zinc/95/78/68/1394957868.db2.gz UDXDWAZJEOBYHX-HNNXBMFYSA-N 1 2 348.878 3.358 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccc(OC)c(C2CC2)c1 ZINC001699000205 1406808316 /nfs/dbraw/zinc/80/83/16/1406808316.db2.gz NTYXWQNKNYJMFV-UHFFFAOYSA-N 1 2 336.863 3.329 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccc(OC)c(C2CC2)c1 ZINC001699000205 1406808322 /nfs/dbraw/zinc/80/83/22/1406808322.db2.gz NTYXWQNKNYJMFV-UHFFFAOYSA-N 1 2 336.863 3.329 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1ccc(C)cc1Cl ZINC001498325671 1396965210 /nfs/dbraw/zinc/96/52/10/1396965210.db2.gz XPWVSSVONHZIGI-CYBMUJFWSA-N 1 2 329.271 3.380 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1ccc(C)cc1Cl ZINC001498325671 1396965213 /nfs/dbraw/zinc/96/52/13/1396965213.db2.gz XPWVSSVONHZIGI-CYBMUJFWSA-N 1 2 329.271 3.380 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnc(C(C)(C)C)s1 ZINC001498456779 1397004107 /nfs/dbraw/zinc/00/41/07/1397004107.db2.gz PGOONMKZMBDQLM-LLVKDONJSA-N 1 2 329.897 3.243 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cnc(C(C)(C)C)s1 ZINC001498456779 1397004122 /nfs/dbraw/zinc/00/41/22/1397004122.db2.gz PGOONMKZMBDQLM-LLVKDONJSA-N 1 2 329.897 3.243 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)C(C1CC1)C1CC1 ZINC001691671014 1405405859 /nfs/dbraw/zinc/40/58/59/1405405859.db2.gz YCZGOLWOAITQIA-OAHLLOKOSA-N 1 2 343.496 3.089 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)C(C1CC1)C1CC1 ZINC001691671014 1405405862 /nfs/dbraw/zinc/40/58/62/1405405862.db2.gz YCZGOLWOAITQIA-OAHLLOKOSA-N 1 2 343.496 3.089 20 30 EGEDLO C[C@H](c1cc(Cl)ccc1Cl)[NH+]1CC(CNC(=O)[C@@H](C)C#N)C1 ZINC001692290745 1405922244 /nfs/dbraw/zinc/92/22/44/1405922244.db2.gz HCQASCUURDQTQT-WDEREUQCSA-N 1 2 340.254 3.262 20 30 EGEDLO C[C@H](C#N)C(=O)NCC1C[NH+]([C@H](C)c2cc(Cl)ccc2Cl)C1 ZINC001692290742 1405922284 /nfs/dbraw/zinc/92/22/84/1405922284.db2.gz HCQASCUURDQTQT-GHMZBOCLSA-N 1 2 340.254 3.262 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC001698551460 1406149387 /nfs/dbraw/zinc/14/93/87/1406149387.db2.gz PSGKYSPWRUPMDJ-GOSISDBHSA-N 1 2 334.410 3.424 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC001698551460 1406149388 /nfs/dbraw/zinc/14/93/88/1406149388.db2.gz PSGKYSPWRUPMDJ-GOSISDBHSA-N 1 2 334.410 3.424 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cc3occc3[nH]2)C1 ZINC001732040439 1428268706 /nfs/dbraw/zinc/26/87/06/1428268706.db2.gz YLLMXUUXZXIYIL-ZDUSSCGKSA-N 1 2 335.835 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cc3occc3[nH]2)C1 ZINC001732040439 1428268709 /nfs/dbraw/zinc/26/87/09/1428268709.db2.gz YLLMXUUXZXIYIL-ZDUSSCGKSA-N 1 2 335.835 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)COc2ccc(C)cc2)C1 ZINC001732189613 1428441406 /nfs/dbraw/zinc/44/14/06/1428441406.db2.gz KQLNPFZKOZNTRR-INIZCTEOSA-N 1 2 336.863 3.049 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)COc2ccc(C)cc2)C1 ZINC001732189613 1428441408 /nfs/dbraw/zinc/44/14/08/1428441408.db2.gz KQLNPFZKOZNTRR-INIZCTEOSA-N 1 2 336.863 3.049 20 30 EGEDLO C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)c1n[nH]c2ccccc21 ZINC001732468662 1428597927 /nfs/dbraw/zinc/59/79/27/1428597927.db2.gz SGXSXHXMJCOPOT-ZDUSSCGKSA-N 1 2 334.851 3.050 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1cccc(OC(C)C)c1 ZINC001700488209 1414136706 /nfs/dbraw/zinc/13/67/06/1414136706.db2.gz TYNSFZPDUPTWDI-OAHLLOKOSA-N 1 2 338.879 3.205 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1cccc(OC(C)C)c1 ZINC001700488209 1414136704 /nfs/dbraw/zinc/13/67/04/1414136704.db2.gz TYNSFZPDUPTWDI-OAHLLOKOSA-N 1 2 338.879 3.205 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)CCC(C)(F)F ZINC001707045825 1417156903 /nfs/dbraw/zinc/15/69/03/1417156903.db2.gz JCPLXBBKPOKCNI-INIZCTEOSA-N 1 2 335.398 3.026 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)CCC(C)(F)F ZINC001707045825 1417156906 /nfs/dbraw/zinc/15/69/06/1417156906.db2.gz JCPLXBBKPOKCNI-INIZCTEOSA-N 1 2 335.398 3.026 20 30 EGEDLO Cc1cccc(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)c1Cl ZINC001713470847 1418139225 /nfs/dbraw/zinc/13/92/25/1418139225.db2.gz QCUBSCYIRJXWDI-UHFFFAOYSA-N 1 2 341.842 3.382 20 30 EGEDLO Cc1cccc(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)c1Cl ZINC001713470847 1418139229 /nfs/dbraw/zinc/13/92/29/1418139229.db2.gz QCUBSCYIRJXWDI-UHFFFAOYSA-N 1 2 341.842 3.382 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)CC(C)(C)C1CC1 ZINC001715514376 1420199476 /nfs/dbraw/zinc/19/94/76/1420199476.db2.gz FZYNSGNMQHGPHG-UHFFFAOYSA-N 1 2 327.472 3.275 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)CC(C)(C)C1CC1 ZINC001715514376 1420199477 /nfs/dbraw/zinc/19/94/77/1420199477.db2.gz FZYNSGNMQHGPHG-UHFFFAOYSA-N 1 2 327.472 3.275 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1ccc(Cl)cc1 ZINC001715536972 1420232631 /nfs/dbraw/zinc/23/26/31/1420232631.db2.gz ZUFILEBZWKKWBJ-UHFFFAOYSA-N 1 2 341.842 3.416 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1ccc(Cl)cc1 ZINC001715536972 1420232634 /nfs/dbraw/zinc/23/26/34/1420232634.db2.gz ZUFILEBZWKKWBJ-UHFFFAOYSA-N 1 2 341.842 3.416 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1ccc(Cl)c(F)c1 ZINC001716495763 1420719768 /nfs/dbraw/zinc/71/97/68/1420719768.db2.gz XGKSUZOJAVRJTD-LLVKDONJSA-N 1 2 333.234 3.211 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1ccc(Cl)c(F)c1 ZINC001716495763 1420719769 /nfs/dbraw/zinc/71/97/69/1420719769.db2.gz XGKSUZOJAVRJTD-LLVKDONJSA-N 1 2 333.234 3.211 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cn2cc(C)c3ccccc32)C1 ZINC001717562071 1421497493 /nfs/dbraw/zinc/49/74/93/1421497493.db2.gz YNDLOPKSLPYEDY-HNNXBMFYSA-N 1 2 345.874 3.139 20 30 EGEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)c1ccsc1 ZINC001731863637 1428107863 /nfs/dbraw/zinc/10/78/63/1428107863.db2.gz AZKNURHRMKKMMO-UHFFFAOYSA-N 1 2 331.279 3.099 20 30 EGEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1ccsc1 ZINC001731863637 1428107864 /nfs/dbraw/zinc/10/78/64/1428107864.db2.gz AZKNURHRMKKMMO-UHFFFAOYSA-N 1 2 331.279 3.099 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccccc1 ZINC001733924321 1437737223 /nfs/dbraw/zinc/73/72/23/1437737223.db2.gz DVEHPAHBCLLLLI-HNNXBMFYSA-N 1 2 337.261 3.132 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccccc1 ZINC001733924321 1437737226 /nfs/dbraw/zinc/73/72/26/1437737226.db2.gz DVEHPAHBCLLLLI-HNNXBMFYSA-N 1 2 337.261 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccccc1-n1cccc1 ZINC001734049625 1437839469 /nfs/dbraw/zinc/83/94/69/1437839469.db2.gz WDSMDPNOYXMAQX-OAHLLOKOSA-N 1 2 331.847 3.280 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccccc1-n1cccc1 ZINC001734049625 1437839470 /nfs/dbraw/zinc/83/94/70/1437839470.db2.gz WDSMDPNOYXMAQX-OAHLLOKOSA-N 1 2 331.847 3.280 20 30 EGEDLO C=C(Cl)C[NH2+]C[C@@H](NC(=O)c1cccc2nc[nH]c21)C(C)(C)C ZINC001734572995 1438166673 /nfs/dbraw/zinc/16/66/73/1438166673.db2.gz GGBQQCCPPBPJEV-CQSZACIVSA-N 1 2 334.851 3.050 20 30 EGEDLO C[N@H+](CCNC(=O)[C@H]1CCCC1(C)C)Cc1ccc(C#N)cc1F ZINC001753060021 1440283150 /nfs/dbraw/zinc/28/31/50/1440283150.db2.gz DCYZDUIIRDNMPY-MRXNPFEDSA-N 1 2 331.435 3.072 20 30 EGEDLO C[N@@H+](CCNC(=O)[C@H]1CCCC1(C)C)Cc1ccc(C#N)cc1F ZINC001753060021 1440283151 /nfs/dbraw/zinc/28/31/51/1440283151.db2.gz DCYZDUIIRDNMPY-MRXNPFEDSA-N 1 2 331.435 3.072 20 30 EGEDLO C=C1CCC(C(=O)NCC[N@@H+](CC)Cc2noc3c2CCCC3)CC1 ZINC001753086650 1440296502 /nfs/dbraw/zinc/29/65/02/1440296502.db2.gz BJFWZNIILGVRHK-UHFFFAOYSA-N 1 2 345.487 3.238 20 30 EGEDLO C=C1CCC(C(=O)NCC[N@H+](CC)Cc2noc3c2CCCC3)CC1 ZINC001753086650 1440296503 /nfs/dbraw/zinc/29/65/03/1440296503.db2.gz BJFWZNIILGVRHK-UHFFFAOYSA-N 1 2 345.487 3.238 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccn(C(C)C)n1 ZINC001753109817 1440308077 /nfs/dbraw/zinc/30/80/77/1440308077.db2.gz GQKMHECXZCWQSW-AEFFLSMTSA-N 1 2 332.492 3.147 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccn(C(C)C)n1 ZINC001753109817 1440308078 /nfs/dbraw/zinc/30/80/78/1440308078.db2.gz GQKMHECXZCWQSW-AEFFLSMTSA-N 1 2 332.492 3.147 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccnc2ccccc21)C1CC1 ZINC001753157456 1440331788 /nfs/dbraw/zinc/33/17/88/1440331788.db2.gz KPODIYJPMZCYLU-UHFFFAOYSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccnc2ccccc21)C1CC1 ZINC001753157456 1440331789 /nfs/dbraw/zinc/33/17/89/1440331789.db2.gz KPODIYJPMZCYLU-UHFFFAOYSA-N 1 2 329.831 3.182 20 30 EGEDLO CC(C)[C@@H]1C[C@@H]1C(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001753162178 1440334536 /nfs/dbraw/zinc/33/45/36/1440334536.db2.gz YQNXZUSYJAFWLW-ROUUACIJSA-N 1 2 343.446 3.070 20 30 EGEDLO CC(C)[C@@H]1C[C@@H]1C(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001753162178 1440334537 /nfs/dbraw/zinc/33/45/37/1440334537.db2.gz YQNXZUSYJAFWLW-ROUUACIJSA-N 1 2 343.446 3.070 20 30 EGEDLO C=CCC1(C(=O)N(C)CC[NH2+][C@H](C)c2csnn2)CCCCC1 ZINC001753264071 1440344468 /nfs/dbraw/zinc/34/44/68/1440344468.db2.gz GSYGOUGCQFZSEF-CQSZACIVSA-N 1 2 336.505 3.174 20 30 EGEDLO CCCc1ccc(C[NH+]2CC(NC(=O)CC#Cc3ccccc3)C2)cc1 ZINC001753395465 1440390136 /nfs/dbraw/zinc/39/01/36/1440390136.db2.gz KIVDEOZCWAEOPF-UHFFFAOYSA-N 1 2 346.474 3.381 20 30 EGEDLO C=C[C@@H](CC(=O)NCC1C[NH+](Cc2ccns2)C1)c1ccccc1 ZINC001753418239 1440394744 /nfs/dbraw/zinc/39/47/44/1440394744.db2.gz WSRNTOPEPZEGRB-INIZCTEOSA-N 1 2 341.480 3.051 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001753444185 1440403130 /nfs/dbraw/zinc/40/31/30/1440403130.db2.gz MJFOLYCEMKKVOF-MAUKXSAKSA-N 1 2 335.879 3.370 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N(C)[C@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001753444185 1440403131 /nfs/dbraw/zinc/40/31/31/1440403131.db2.gz MJFOLYCEMKKVOF-MAUKXSAKSA-N 1 2 335.879 3.370 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H](C[NH2+][C@H](C)c1noc(C)n1)C1CCCCC1 ZINC001753747658 1440481471 /nfs/dbraw/zinc/48/14/71/1440481471.db2.gz WBWRIZIJHRAZTH-CZUORRHYSA-N 1 2 348.491 3.306 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1)C(=O)CCC1CCCC1 ZINC001753848198 1440505591 /nfs/dbraw/zinc/50/55/91/1440505591.db2.gz WGDNKHUTUINMJF-UHFFFAOYSA-N 1 2 327.472 3.419 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1)C(=O)CCC1CCCC1 ZINC001753848198 1440505592 /nfs/dbraw/zinc/50/55/92/1440505592.db2.gz WGDNKHUTUINMJF-UHFFFAOYSA-N 1 2 327.472 3.419 20 30 EGEDLO CN(CC[N@H+](C)Cc1cc(F)ccc1C#N)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001753857680 1440509732 /nfs/dbraw/zinc/50/97/32/1440509732.db2.gz XLVKCRXDXDOLCU-ZMYBRWDISA-N 1 2 343.446 3.024 20 30 EGEDLO CN(CC[N@@H+](C)Cc1cc(F)ccc1C#N)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001753857680 1440509733 /nfs/dbraw/zinc/50/97/33/1440509733.db2.gz XLVKCRXDXDOLCU-ZMYBRWDISA-N 1 2 343.446 3.024 20 30 EGEDLO C=C1CC(C)(C(=O)NC/C=C/C[NH2+]Cc2cc(C(C)(C)C)on2)C1 ZINC001754168513 1440546805 /nfs/dbraw/zinc/54/68/05/1440546805.db2.gz MSFIQDWUXXCWJB-VOTSOKGWSA-N 1 2 331.460 3.090 20 30 EGEDLO C=CCC1(C(=O)N[C@@H](C)C[NH2+][C@@H](C)c2nnc(C)o2)CCCCC1 ZINC001754295325 1440566275 /nfs/dbraw/zinc/56/62/75/1440566275.db2.gz USJXOVXZILKJHS-KBPBESRZSA-N 1 2 334.464 3.060 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1CC[N@H+]1Cc1cc(OC)ccc1Cl ZINC001754485146 1440608318 /nfs/dbraw/zinc/60/83/18/1440608318.db2.gz PMOUNMXGSPXISK-OAHLLOKOSA-N 1 2 336.863 3.395 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1CC[N@@H+]1Cc1cc(OC)ccc1Cl ZINC001754485146 1440608319 /nfs/dbraw/zinc/60/83/19/1440608319.db2.gz PMOUNMXGSPXISK-OAHLLOKOSA-N 1 2 336.863 3.395 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1CC[N@@H+]1Cc1cnc(-c2ccccc2)o1 ZINC001754484952 1440608411 /nfs/dbraw/zinc/60/84/11/1440608411.db2.gz LPBQQWATOMOXJB-QGZVFWFLSA-N 1 2 339.439 3.388 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1CC[N@H+]1Cc1cnc(-c2ccccc2)o1 ZINC001754484952 1440608412 /nfs/dbraw/zinc/60/84/12/1440608412.db2.gz LPBQQWATOMOXJB-QGZVFWFLSA-N 1 2 339.439 3.388 20 30 EGEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CNC(=O)CCCC(C)C ZINC001754496008 1440612187 /nfs/dbraw/zinc/61/21/87/1440612187.db2.gz RRJSPVYAFXBFPR-SFHVURJKSA-N 1 2 343.471 3.084 20 30 EGEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CNC(=O)CCCC(C)C ZINC001754496008 1440612188 /nfs/dbraw/zinc/61/21/88/1440612188.db2.gz RRJSPVYAFXBFPR-SFHVURJKSA-N 1 2 343.471 3.084 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@H]2C[NH2+][C@H](C)c2noc(C)n2)CCCC1 ZINC001754623173 1440645587 /nfs/dbraw/zinc/64/55/87/1440645587.db2.gz UMSCRCCZRVYOQA-ZBFHGGJFSA-N 1 2 346.475 3.156 20 30 EGEDLO C#CCN(C(=O)C[C@@H](C=C)CC)C1CC[NH+](Cc2coc(C)n2)CC1 ZINC001754640585 1440649012 /nfs/dbraw/zinc/64/90/12/1440649012.db2.gz XJXLIBQFADKPFU-KRWDZBQOSA-N 1 2 343.471 3.012 20 30 EGEDLO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@@](C)(NC(=O)C#CC2CC2)C1 ZINC001754669926 1440657678 /nfs/dbraw/zinc/65/76/78/1440657678.db2.gz IPRLFDWHDHMNDE-JLTOFOAXSA-N 1 2 343.471 3.027 20 30 EGEDLO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@@](C)(NC(=O)C#CC2CC2)C1 ZINC001754669926 1440657679 /nfs/dbraw/zinc/65/76/79/1440657679.db2.gz IPRLFDWHDHMNDE-JLTOFOAXSA-N 1 2 343.471 3.027 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[NH+]([C@@H](C)c1csnn1)CC2 ZINC001754960871 1440717579 /nfs/dbraw/zinc/71/75/79/1440717579.db2.gz ZJLLCHYCDBFIOT-LSDHHAIUSA-N 1 2 348.516 3.126 20 30 EGEDLO C[C@@H](C#N)C(=O)N(C)CCC[N@H+](C)Cc1c(Cl)cccc1Cl ZINC001755035579 1440733969 /nfs/dbraw/zinc/73/39/69/1440733969.db2.gz XDHBKWBHTORHRP-LBPRGKRZSA-N 1 2 342.270 3.433 20 30 EGEDLO C[C@@H](C#N)C(=O)N(C)CCC[N@@H+](C)Cc1c(Cl)cccc1Cl ZINC001755035579 1440733970 /nfs/dbraw/zinc/73/39/70/1440733970.db2.gz XDHBKWBHTORHRP-LBPRGKRZSA-N 1 2 342.270 3.433 20 30 EGEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C(F)=C1CCCC1 ZINC001755075718 1440748642 /nfs/dbraw/zinc/74/86/42/1440748642.db2.gz MCMMLUYAVAEOQB-LJQANCHMSA-N 1 2 340.442 3.350 20 30 EGEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C(F)=C1CCCC1 ZINC001755075718 1440748643 /nfs/dbraw/zinc/74/86/43/1440748643.db2.gz MCMMLUYAVAEOQB-LJQANCHMSA-N 1 2 340.442 3.350 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@@]2(CC[N@H+](Cc3nnc(C)s3)C2)C1 ZINC001755078220 1440749779 /nfs/dbraw/zinc/74/97/79/1440749779.db2.gz KZQQZJHURPCIKJ-SFHVURJKSA-N 1 2 348.516 3.017 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3nnc(C)s3)C2)C1 ZINC001755078220 1440749780 /nfs/dbraw/zinc/74/97/80/1440749780.db2.gz KZQQZJHURPCIKJ-SFHVURJKSA-N 1 2 348.516 3.017 20 30 EGEDLO CC[C@@H](F)C(=O)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)CC1(C)C ZINC001755140978 1440760267 /nfs/dbraw/zinc/76/02/67/1440760267.db2.gz JZFBFZZQZAVUNP-IAGOWNOFSA-N 1 2 349.425 3.162 20 30 EGEDLO CC[C@@H](F)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)CC1(C)C ZINC001755140978 1440760268 /nfs/dbraw/zinc/76/02/68/1440760268.db2.gz JZFBFZZQZAVUNP-IAGOWNOFSA-N 1 2 349.425 3.162 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)CC(C)(C)C[NH2+]CC(F)(F)C(F)F)C1 ZINC001755286095 1440801997 /nfs/dbraw/zinc/80/19/97/1440801997.db2.gz PWBRZLQGODNURJ-UHFFFAOYSA-N 1 2 338.389 3.317 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CCCCC[N@H+]1Cc1ncc(C)cn1 ZINC001755368081 1440835963 /nfs/dbraw/zinc/83/59/63/1440835963.db2.gz MJPQCPRQZGDRTA-KRWDZBQOSA-N 1 2 330.476 3.002 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1ncc(C)cn1 ZINC001755368081 1440835964 /nfs/dbraw/zinc/83/59/64/1440835964.db2.gz MJPQCPRQZGDRTA-KRWDZBQOSA-N 1 2 330.476 3.002 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CCC[N@H+](Cc2nocc2C)[C@H]1C ZINC001755717215 1440905486 /nfs/dbraw/zinc/90/54/86/1440905486.db2.gz QSINIOXHLBYBRZ-DLBZAZTESA-N 1 2 331.460 3.036 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2nocc2C)[C@H]1C ZINC001755717215 1440905487 /nfs/dbraw/zinc/90/54/87/1440905487.db2.gz QSINIOXHLBYBRZ-DLBZAZTESA-N 1 2 331.460 3.036 20 30 EGEDLO C[C@@H]1[C@H](NC(=O)C#CC(C)(C)C)CCC[N@@H+]1CC=C(Cl)Cl ZINC001755718663 1440906230 /nfs/dbraw/zinc/90/62/30/1440906230.db2.gz OFKPJKOMFQOZRO-CHWSQXEVSA-N 1 2 331.287 3.324 20 30 EGEDLO C[C@@H]1[C@H](NC(=O)C#CC(C)(C)C)CCC[N@H+]1CC=C(Cl)Cl ZINC001755718663 1440906231 /nfs/dbraw/zinc/90/62/31/1440906231.db2.gz OFKPJKOMFQOZRO-CHWSQXEVSA-N 1 2 331.287 3.324 20 30 EGEDLO CC#CC[NH2+]C[C@@H](NC(=O)c1nc(C(C)(C)C)cs1)C(C)(C)C ZINC001755826543 1440927449 /nfs/dbraw/zinc/92/74/49/1440927449.db2.gz SFXNQVRENVZKFB-CYBMUJFWSA-N 1 2 335.517 3.198 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H](C)C1CC[NH+](Cc2nncs2)CC1 ZINC001755848907 1440934206 /nfs/dbraw/zinc/93/42/06/1440934206.db2.gz PUKSMBZWNCQPIK-AWEZNQCLSA-N 1 2 348.516 3.023 20 30 EGEDLO CC#CCCCC(=O)NCC1=CC[N@H+](Cc2csc(CC)n2)CC1 ZINC001755891566 1440941522 /nfs/dbraw/zinc/94/15/22/1440941522.db2.gz HIUUQYWQBAMERF-UHFFFAOYSA-N 1 2 345.512 3.147 20 30 EGEDLO CC#CCCCC(=O)NCC1=CC[N@@H+](Cc2csc(CC)n2)CC1 ZINC001755891566 1440941523 /nfs/dbraw/zinc/94/15/23/1440941523.db2.gz HIUUQYWQBAMERF-UHFFFAOYSA-N 1 2 345.512 3.147 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCC1=CC[N@H+](Cc2ncc(C)s2)CC1 ZINC001755893297 1440941933 /nfs/dbraw/zinc/94/19/33/1440941933.db2.gz OWCZYTJUOKWSHI-HNNXBMFYSA-N 1 2 333.501 3.302 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCC1=CC[N@@H+](Cc2ncc(C)s2)CC1 ZINC001755893297 1440941934 /nfs/dbraw/zinc/94/19/34/1440941934.db2.gz OWCZYTJUOKWSHI-HNNXBMFYSA-N 1 2 333.501 3.302 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]1CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001757296906 1441088488 /nfs/dbraw/zinc/08/84/88/1441088488.db2.gz JVQFMRLYSWJMIU-KRWDZBQOSA-N 1 2 343.471 3.036 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000183937436 235265288 /nfs/dbraw/zinc/26/52/88/235265288.db2.gz ZHIPWBVGAPEQHY-QGZVFWFLSA-N 1 2 333.435 3.006 20 30 EGEDLO Cc1ccccc1Cc1noc(C[N@@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000079399217 217220296 /nfs/dbraw/zinc/22/02/96/217220296.db2.gz CIYPVEWHGSIFJO-UHFFFAOYSA-N 1 2 332.407 3.473 20 30 EGEDLO Cc1ccccc1Cc1noc(C[N@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000079399217 217220299 /nfs/dbraw/zinc/22/02/99/217220299.db2.gz CIYPVEWHGSIFJO-UHFFFAOYSA-N 1 2 332.407 3.473 20 30 EGEDLO N#Cc1cnc2ccccc2c1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000266421150 248292854 /nfs/dbraw/zinc/29/28/54/248292854.db2.gz SCXKFUCDWXKQQI-UHFFFAOYSA-N 1 2 349.463 3.275 20 30 EGEDLO N#Cc1cnc2ccccc2c1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000266421150 248292856 /nfs/dbraw/zinc/29/28/56/248292856.db2.gz SCXKFUCDWXKQQI-UHFFFAOYSA-N 1 2 349.463 3.275 20 30 EGEDLO C#CC[N@@H+](CC)Cc1nc(-c2cc(Br)cs2)no1 ZINC000266941277 248516459 /nfs/dbraw/zinc/51/64/59/248516459.db2.gz REHGDJSKHDRMRM-UHFFFAOYSA-N 1 2 326.219 3.016 20 30 EGEDLO C#CC[N@H+](CC)Cc1nc(-c2cc(Br)cs2)no1 ZINC000266941277 248516461 /nfs/dbraw/zinc/51/64/61/248516461.db2.gz REHGDJSKHDRMRM-UHFFFAOYSA-N 1 2 326.219 3.016 20 30 EGEDLO CC(C)[C@]1(CO)CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000377669765 169057464 /nfs/dbraw/zinc/05/74/64/169057464.db2.gz IEQLIDUQAVKQPF-MRXNPFEDSA-N 1 2 337.261 3.161 20 30 EGEDLO CC(C)[C@]1(CO)CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000377669765 169057468 /nfs/dbraw/zinc/05/74/68/169057468.db2.gz IEQLIDUQAVKQPF-MRXNPFEDSA-N 1 2 337.261 3.161 20 30 EGEDLO Cc1cc(C(=O)N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)c(C)o1 ZINC000118394472 221145852 /nfs/dbraw/zinc/14/58/52/221145852.db2.gz XAKKOIZHQOPSEO-OAHLLOKOSA-N 1 2 337.423 3.287 20 30 EGEDLO C=CC(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000328598918 258041467 /nfs/dbraw/zinc/04/14/67/258041467.db2.gz PAWFBUFJEKDPSL-UHFFFAOYSA-N 1 2 340.402 3.190 20 30 EGEDLO N#Cc1cccc(CN2CCc3c([nH+]cn3-c3ccccc3)C2)c1F ZINC000351107216 144256162 /nfs/dbraw/zinc/25/61/62/144256162.db2.gz YDPZQKZWNKBOAI-UHFFFAOYSA-N 1 2 332.382 3.441 20 30 EGEDLO N#Cc1cc(F)ccc1C[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000337461313 154364428 /nfs/dbraw/zinc/36/44/28/154364428.db2.gz RCGUIWUQMHJPQC-FQEVSTJZSA-N 1 2 347.393 3.390 20 30 EGEDLO CC[C@]1(C)C[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CCO1 ZINC000248877705 163041633 /nfs/dbraw/zinc/04/16/33/163041633.db2.gz CPNVZRNHNBQOLF-SJKOYZFVSA-N 1 2 335.835 3.040 20 30 EGEDLO CC[C@]1(C)C[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CCO1 ZINC000248877705 163041635 /nfs/dbraw/zinc/04/16/35/163041635.db2.gz CPNVZRNHNBQOLF-SJKOYZFVSA-N 1 2 335.835 3.040 20 30 EGEDLO COc1ccc(C[N@H+](C)Cc2nc(-c3cccs3)no2)cc1C#N ZINC000352372236 165368638 /nfs/dbraw/zinc/36/86/38/165368638.db2.gz PLTRFPAHSJJYBK-UHFFFAOYSA-N 1 2 340.408 3.310 20 30 EGEDLO COc1ccc(C[N@@H+](C)Cc2nc(-c3cccs3)no2)cc1C#N ZINC000352372236 165368640 /nfs/dbraw/zinc/36/86/40/165368640.db2.gz PLTRFPAHSJJYBK-UHFFFAOYSA-N 1 2 340.408 3.310 20 30 EGEDLO N#Cc1ccc(Cc2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)cc1 ZINC000356000633 166372052 /nfs/dbraw/zinc/37/20/52/166372052.db2.gz BQKOFKYPHKENMD-UHFFFAOYSA-N 1 2 341.374 3.444 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000359859250 167251198 /nfs/dbraw/zinc/25/11/98/167251198.db2.gz OVIXSDOHMQHGRZ-CQSZACIVSA-N 1 2 332.407 3.136 20 30 EGEDLO Cc1cccc2[nH+]c(CN3CCO[C@@H](c4cccc(C#N)c4)C3)cn21 ZINC000367141146 168184003 /nfs/dbraw/zinc/18/40/03/168184003.db2.gz PAPFWGMTFWGKIQ-LJQANCHMSA-N 1 2 332.407 3.088 20 30 EGEDLO N#Cc1ccc(C2=CC[N@H+](Cc3nnc(-c4ccco4)o3)CC2)cc1 ZINC000367294032 168202561 /nfs/dbraw/zinc/20/25/61/168202561.db2.gz AQYGOPKDDHAYGG-UHFFFAOYSA-N 1 2 332.363 3.491 20 30 EGEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3nnc(-c4ccco4)o3)CC2)cc1 ZINC000367294032 168202562 /nfs/dbraw/zinc/20/25/62/168202562.db2.gz AQYGOPKDDHAYGG-UHFFFAOYSA-N 1 2 332.363 3.491 20 30 EGEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@@H]2Cc2ccccc2)C1=O ZINC000437823512 270051574 /nfs/dbraw/zinc/05/15/74/270051574.db2.gz OWIMGLILSFIUEB-IAGOWNOFSA-N 1 2 337.448 3.042 20 30 EGEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@@H]2Cc2ccccc2)C1=O ZINC000437823512 270051575 /nfs/dbraw/zinc/05/15/75/270051575.db2.gz OWIMGLILSFIUEB-IAGOWNOFSA-N 1 2 337.448 3.042 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000489024278 270056439 /nfs/dbraw/zinc/05/64/39/270056439.db2.gz DJFSUSUTKFJEJB-MRXNPFEDSA-N 1 2 329.350 3.275 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000489024278 270056440 /nfs/dbraw/zinc/05/64/40/270056440.db2.gz DJFSUSUTKFJEJB-MRXNPFEDSA-N 1 2 329.350 3.275 20 30 EGEDLO N#Cc1ccc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)nc1 ZINC000533841257 270061098 /nfs/dbraw/zinc/06/10/98/270061098.db2.gz WFHDBDRIJINUIZ-UHFFFAOYSA-N 1 2 341.374 3.121 20 30 EGEDLO CCN(CC)c1ccc(CNC(=O)/C=C\c2cccc(C#N)c2)c[nH+]1 ZINC000491251278 267061732 /nfs/dbraw/zinc/06/17/32/267061732.db2.gz ZPEWHYKGIMVLST-LUAWRHEFSA-N 1 2 334.423 3.129 20 30 EGEDLO CCOC(=O)[C@H]1C[N@H+](Cc2cccc(F)c2C#N)Cc2ccccc21 ZINC000428376096 267134694 /nfs/dbraw/zinc/13/46/94/267134694.db2.gz DQUIKDVYDCIHHS-SFHVURJKSA-N 1 2 338.382 3.360 20 30 EGEDLO CCOC(=O)[C@H]1C[N@@H+](Cc2cccc(F)c2C#N)Cc2ccccc21 ZINC000428376096 267134697 /nfs/dbraw/zinc/13/46/97/267134697.db2.gz DQUIKDVYDCIHHS-SFHVURJKSA-N 1 2 338.382 3.360 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000329811556 267144169 /nfs/dbraw/zinc/14/41/69/267144169.db2.gz CTDZOYRFYYEUPZ-COXVUDFISA-N 1 2 327.428 3.424 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000329811556 267144170 /nfs/dbraw/zinc/14/41/70/267144170.db2.gz CTDZOYRFYYEUPZ-COXVUDFISA-N 1 2 327.428 3.424 20 30 EGEDLO C[C@]12CC[N@H+](CC(=O)Nc3sccc3C#N)C[C@H]1C2(Cl)Cl ZINC000284983453 267267343 /nfs/dbraw/zinc/26/73/43/267267343.db2.gz YCDBRIMRUVNGIN-MFKMUULPSA-N 1 2 344.267 3.074 20 30 EGEDLO C[C@]12CC[N@@H+](CC(=O)Nc3sccc3C#N)C[C@H]1C2(Cl)Cl ZINC000284983453 267267345 /nfs/dbraw/zinc/26/73/45/267267345.db2.gz YCDBRIMRUVNGIN-MFKMUULPSA-N 1 2 344.267 3.074 20 30 EGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1ccc(Cl)c(C#N)n1 ZINC000486919111 267325462 /nfs/dbraw/zinc/32/54/62/267325462.db2.gz FFGDBTYJCCVUTJ-UHFFFAOYSA-N 1 2 329.713 3.002 20 30 EGEDLO Cc1cc(C)c(CNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)c[nH+]1 ZINC000416718403 267987794 /nfs/dbraw/zinc/98/77/94/267987794.db2.gz ILHAEXMOWHNKFY-LJQANCHMSA-N 1 2 334.423 3.447 20 30 EGEDLO N#Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1O ZINC000187726118 268046762 /nfs/dbraw/zinc/04/67/62/268046762.db2.gz MIRZYWULZVWCHN-UHFFFAOYSA-N 1 2 338.754 3.355 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNc1cc(C)c([N+](=O)[O-])cc1C#N)CCC2 ZINC000413210692 268069487 /nfs/dbraw/zinc/06/94/87/268069487.db2.gz WGHHTIYAITXNKH-ZDUSSCGKSA-N 1 2 325.372 3.269 20 30 EGEDLO N#Cc1ccc(C[S@@](=O)Cc2cn3cc(Cl)ccc3[nH+]2)cc1 ZINC000176530272 268093116 /nfs/dbraw/zinc/09/31/16/268093116.db2.gz QTEZZCYCHQWJOY-JOCHJYFZSA-N 1 2 329.812 3.308 20 30 EGEDLO Cc1oc(NC(=O)C[NH2+][C@H](C)c2nc3c(s2)CCC3)c(C#N)c1C ZINC000459639460 268104329 /nfs/dbraw/zinc/10/43/29/268104329.db2.gz VYQHIXSUCGPDIO-SNVBAGLBSA-N 1 2 344.440 3.003 20 30 EGEDLO N#Cc1ccc(N2CCN(c3[nH]c4ccccc4[nH+]3)CC2)c(Cl)c1 ZINC000443945392 268234405 /nfs/dbraw/zinc/23/44/05/268234405.db2.gz JOVJDHXRTXTJGG-UHFFFAOYSA-N 1 2 337.814 3.415 20 30 EGEDLO N#Cc1cccc(/C=C/C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000492462931 268265157 /nfs/dbraw/zinc/26/51/57/268265157.db2.gz VCYDVDFSSFXINZ-VOTSOKGWSA-N 1 2 348.450 3.487 20 30 EGEDLO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000009726797 288381524 /nfs/dbraw/zinc/38/15/24/288381524.db2.gz ULLBBUNCZFVLPM-HNNXBMFYSA-N 1 2 331.485 3.400 20 30 EGEDLO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000009726797 288381527 /nfs/dbraw/zinc/38/15/27/288381527.db2.gz ULLBBUNCZFVLPM-HNNXBMFYSA-N 1 2 331.485 3.400 20 30 EGEDLO Cc1cccc([C@@H](CNc2nc(C)ccc2C#N)[NH+]2CCOCC2)c1 ZINC000127739954 307589492 /nfs/dbraw/zinc/58/94/92/307589492.db2.gz BRWAUVSGOVZYQO-LJQANCHMSA-N 1 2 336.439 3.056 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c1C#N ZINC000535207149 314033187 /nfs/dbraw/zinc/03/31/87/314033187.db2.gz QFLLYFOIJXBFQJ-LJQANCHMSA-N 1 2 335.407 3.385 20 30 EGEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)c1C#N ZINC000535207149 314033191 /nfs/dbraw/zinc/03/31/91/314033191.db2.gz QFLLYFOIJXBFQJ-LJQANCHMSA-N 1 2 335.407 3.385 20 30 EGEDLO COCC[N@H+](Cc1cccs1)Cc1cccc(C(=O)OC)c1C#N ZINC000535982078 314086480 /nfs/dbraw/zinc/08/64/80/314086480.db2.gz XPIFFAMGKBDOJR-UHFFFAOYSA-N 1 2 344.436 3.055 20 30 EGEDLO COCC[N@@H+](Cc1cccs1)Cc1cccc(C(=O)OC)c1C#N ZINC000535982078 314086483 /nfs/dbraw/zinc/08/64/83/314086483.db2.gz XPIFFAMGKBDOJR-UHFFFAOYSA-N 1 2 344.436 3.055 20 30 EGEDLO CC[C@H](C)[C@H]([NH2+]CCOc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000539492936 314316513 /nfs/dbraw/zinc/31/65/13/314316513.db2.gz CTUYOKPUFKVOAL-YOEHRIQHSA-N 1 2 332.444 3.283 20 30 EGEDLO CC[N@H+](CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)C[C@H](C)C#N ZINC000064249055 454470105 /nfs/dbraw/zinc/47/01/05/454470105.db2.gz OZPXQRUKRVIFTL-GFCCVEGCSA-N 1 2 342.270 3.433 20 30 EGEDLO N#Cc1ccc(S(=O)(=O)Nc2cccc3cc[nH+]cc32)cc1F ZINC000555621691 315394868 /nfs/dbraw/zinc/39/48/68/315394868.db2.gz JOTOSXQOXRNITN-UHFFFAOYSA-N 1 2 327.340 3.046 20 30 EGEDLO C=CCOc1ccc(C[N@@H+](C)[C@H](C)CS(=O)(=O)CC)cc1Cl ZINC000093416740 454714122 /nfs/dbraw/zinc/71/41/22/454714122.db2.gz XJZVKWINQLEZAQ-CYBMUJFWSA-N 1 2 345.892 3.160 20 30 EGEDLO C=CCOc1ccc(C[N@H+](C)[C@H](C)CS(=O)(=O)CC)cc1Cl ZINC000093416740 454714124 /nfs/dbraw/zinc/71/41/24/454714124.db2.gz XJZVKWINQLEZAQ-CYBMUJFWSA-N 1 2 345.892 3.160 20 30 EGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000563687085 316056011 /nfs/dbraw/zinc/05/60/11/316056011.db2.gz LVHQHUKWCOCPGS-ZDUSSCGKSA-N 1 2 336.420 3.023 20 30 EGEDLO COc1cc(C[NH2+][C@@H](c2nccn2C)c2ccccc2)ccc1C#N ZINC000570471839 317060609 /nfs/dbraw/zinc/06/06/09/317060609.db2.gz VHIBLRTUKJXTFZ-LJQANCHMSA-N 1 2 332.407 3.180 20 30 EGEDLO Cc1cnc([C@H]([NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)C2CC2)s1 ZINC000185317965 323697351 /nfs/dbraw/zinc/69/73/51/323697351.db2.gz XDXRSWHIJIRPGA-OAHLLOKOSA-N 1 2 344.440 3.212 20 30 EGEDLO Cc1cn2c([nH+]1)[C@@H](CNc1cccc(-n3cccn3)c1C#N)CCC2 ZINC000579494283 325119000 /nfs/dbraw/zinc/11/90/00/325119000.db2.gz JFNXNJZJFDGUAD-OAHLLOKOSA-N 1 2 332.411 3.238 20 30 EGEDLO COCCOc1ccc(C#N)cc1N[C@@H]1CCc2ccc[nH+]c2CC1 ZINC000582295177 325429814 /nfs/dbraw/zinc/42/98/14/325429814.db2.gz YOLFAJWVZHYISM-QGZVFWFLSA-N 1 2 337.423 3.338 20 30 EGEDLO C=CCOc1ccc(C[NH+]2CCN(c3cnccn3)CC2)cc1Cl ZINC000157879206 455243717 /nfs/dbraw/zinc/24/37/17/455243717.db2.gz DXBNXHRIVRZCAY-UHFFFAOYSA-N 1 2 344.846 3.017 20 30 EGEDLO Cc1ccc([C@@H](CNc2ccc(F)cc2C#N)[NH+]2CCOCC2)o1 ZINC000264627105 455250853 /nfs/dbraw/zinc/25/08/53/455250853.db2.gz JXETUZLZDRCZKI-QGZVFWFLSA-N 1 2 329.375 3.084 20 30 EGEDLO C=CC[N@H+](CC(=O)NCc1cccc(C)c1)Cc1ccc(OC)cc1 ZINC000600625592 460549313 /nfs/dbraw/zinc/54/93/13/460549313.db2.gz HDKNDGTVBJNDDY-UHFFFAOYSA-N 1 2 338.451 3.308 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCc1cccc(C)c1)Cc1ccc(OC)cc1 ZINC000600625592 460549318 /nfs/dbraw/zinc/54/93/18/460549318.db2.gz HDKNDGTVBJNDDY-UHFFFAOYSA-N 1 2 338.451 3.308 20 30 EGEDLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162020 460556168 /nfs/dbraw/zinc/55/61/68/460556168.db2.gz JJOLETIEVQGWEU-ACJLOTCBSA-N 1 2 335.398 3.110 20 30 EGEDLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162020 460556173 /nfs/dbraw/zinc/55/61/73/460556173.db2.gz JJOLETIEVQGWEU-ACJLOTCBSA-N 1 2 335.398 3.110 20 30 EGEDLO CC(C)(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612165641 460557160 /nfs/dbraw/zinc/55/71/60/460557160.db2.gz OTGMEVLIJZWVFU-FQEVSTJZSA-N 1 2 327.472 3.439 20 30 EGEDLO CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612165641 460557166 /nfs/dbraw/zinc/55/71/66/460557166.db2.gz OTGMEVLIJZWVFU-FQEVSTJZSA-N 1 2 327.472 3.439 20 30 EGEDLO Cc1cc2[nH+]cn(C[C@H](O)COc3ccc(CC#N)cc3)c2cc1C ZINC000024097774 453726074 /nfs/dbraw/zinc/72/60/74/453726074.db2.gz WYEGHLXBGQAHOC-KRWDZBQOSA-N 1 2 335.407 3.159 20 30 EGEDLO CC[N@@H+](CC(=O)NCC1(c2ccccc2)CCCC1)C[C@H](C)C#N ZINC000066424139 453844290 /nfs/dbraw/zinc/84/42/90/453844290.db2.gz QJHCDDPKOWJWPE-QGZVFWFLSA-N 1 2 327.472 3.096 20 30 EGEDLO CC[N@H+](CC(=O)NCC1(c2ccccc2)CCCC1)C[C@H](C)C#N ZINC000066424139 453844292 /nfs/dbraw/zinc/84/42/92/453844292.db2.gz QJHCDDPKOWJWPE-QGZVFWFLSA-N 1 2 327.472 3.096 20 30 EGEDLO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000052825608 453846365 /nfs/dbraw/zinc/84/63/65/453846365.db2.gz KUSTVOMHPQZAKW-UHFFFAOYSA-N 1 2 332.407 3.207 20 30 EGEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000052825608 453846366 /nfs/dbraw/zinc/84/63/66/453846366.db2.gz KUSTVOMHPQZAKW-UHFFFAOYSA-N 1 2 332.407 3.207 20 30 EGEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCc2cc(C#N)ccc2F)c1 ZINC000075177694 453868800 /nfs/dbraw/zinc/86/88/00/453868800.db2.gz UJBZFRVXPKWWSC-UHFFFAOYSA-N 1 2 334.354 3.122 20 30 EGEDLO N#Cc1cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)ccc1F ZINC000081660306 453901927 /nfs/dbraw/zinc/90/19/27/453901927.db2.gz JKIHPOYFXNHZSI-GOSISDBHSA-N 1 2 341.361 3.440 20 30 EGEDLO N#Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)ccc1F ZINC000081660306 453901928 /nfs/dbraw/zinc/90/19/28/453901928.db2.gz JKIHPOYFXNHZSI-GOSISDBHSA-N 1 2 341.361 3.440 20 30 EGEDLO C=C(C)CN(CC)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000054008284 453905224 /nfs/dbraw/zinc/90/52/24/453905224.db2.gz PURVCGSIOJSONN-MRXNPFEDSA-N 1 2 330.407 3.256 20 30 EGEDLO Cc1cccn2cc(CC(=O)Nc3cc(C#N)cn3C(C)(C)C)[nH+]c12 ZINC000075607174 453910432 /nfs/dbraw/zinc/91/04/32/453910432.db2.gz WLCRUFSPTXCVMZ-UHFFFAOYSA-N 1 2 335.411 3.252 20 30 EGEDLO C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1nc(C(C)(C)C)cs1 ZINC000184463015 455384428 /nfs/dbraw/zinc/38/44/28/455384428.db2.gz KYWDLRWQOACIGQ-ZDUSSCGKSA-N 1 2 348.516 3.434 20 30 EGEDLO N#Cc1ccsc1N1CC[C@@H](Sc2[nH+]cc3ccccn32)C1=O ZINC000083090840 453938515 /nfs/dbraw/zinc/93/85/15/453938515.db2.gz AFWAVBSRDYXLDC-CYBMUJFWSA-N 1 2 340.433 3.165 20 30 EGEDLO N#Cc1csc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1 ZINC000084085741 453968390 /nfs/dbraw/zinc/96/83/90/453968390.db2.gz NPWIUZMJCWSHDV-UHFFFAOYSA-N 1 2 338.392 3.148 20 30 EGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1ccco1 ZINC000042334486 454007426 /nfs/dbraw/zinc/00/74/26/454007426.db2.gz LJNQIRSHJQBJAU-HNNXBMFYSA-N 1 2 341.411 3.055 20 30 EGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1ccco1 ZINC000042334486 454007428 /nfs/dbraw/zinc/00/74/28/454007428.db2.gz LJNQIRSHJQBJAU-HNNXBMFYSA-N 1 2 341.411 3.055 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000076549002 454014165 /nfs/dbraw/zinc/01/41/65/454014165.db2.gz OLFPWTBOJZIFQB-GFCCVEGCSA-N 1 2 342.270 3.433 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000076549002 454014167 /nfs/dbraw/zinc/01/41/67/454014167.db2.gz OLFPWTBOJZIFQB-GFCCVEGCSA-N 1 2 342.270 3.433 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000076548998 454014253 /nfs/dbraw/zinc/01/42/53/454014253.db2.gz OLFPWTBOJZIFQB-LBPRGKRZSA-N 1 2 342.270 3.433 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000076548998 454014255 /nfs/dbraw/zinc/01/42/55/454014255.db2.gz OLFPWTBOJZIFQB-LBPRGKRZSA-N 1 2 342.270 3.433 20 30 EGEDLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1cn3ccccc3c1C#N)C2 ZINC000070040172 454165798 /nfs/dbraw/zinc/16/57/98/454165798.db2.gz DQWUIYOCIXTQTR-UHFFFAOYSA-N 1 2 344.418 3.328 20 30 EGEDLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1cn3ccccc3c1C#N)C2 ZINC000070040172 454165803 /nfs/dbraw/zinc/16/58/03/454165803.db2.gz DQWUIYOCIXTQTR-UHFFFAOYSA-N 1 2 344.418 3.328 20 30 EGEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000094134096 454189326 /nfs/dbraw/zinc/18/93/26/454189326.db2.gz IQJSNEDMVPTYAN-CQSZACIVSA-N 1 2 326.831 3.490 20 30 EGEDLO CN(Cc1ccc(C#N)cc1)c1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000045933260 454196890 /nfs/dbraw/zinc/19/68/90/454196890.db2.gz OQOLCXKWKLUFMY-UHFFFAOYSA-N 1 2 340.390 3.324 20 30 EGEDLO CCN(CC)c1ccc(CNC(=O)Nc2cc(C#N)ccc2C)c[nH+]1 ZINC000058452230 454205564 /nfs/dbraw/zinc/20/55/64/454205564.db2.gz XUIWINPXDSNJAF-UHFFFAOYSA-N 1 2 337.427 3.430 20 30 EGEDLO C=CCOc1cccc(C[NH+]2CCN(Cc3nc(C)c(C)o3)CC2)c1 ZINC000131471145 454257055 /nfs/dbraw/zinc/25/70/55/454257055.db2.gz LOZVTVXZQHAHOO-UHFFFAOYSA-N 1 2 341.455 3.174 20 30 EGEDLO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccc(C#N)cc1 ZINC000046529275 454261460 /nfs/dbraw/zinc/26/14/60/454261460.db2.gz FSGSOFLBPFCGTF-UHFFFAOYSA-N 1 2 349.350 3.148 20 30 EGEDLO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccc(C#N)cc1 ZINC000046529275 454261464 /nfs/dbraw/zinc/26/14/64/454261464.db2.gz FSGSOFLBPFCGTF-UHFFFAOYSA-N 1 2 349.350 3.148 20 30 EGEDLO N#Cc1cccc(-c2nnc(COc3cccc(-n4cc[nH+]c4)c3)o2)c1 ZINC000072674229 454326244 /nfs/dbraw/zinc/32/62/44/454326244.db2.gz AHONEXJRSLACIG-UHFFFAOYSA-N 1 2 343.346 3.373 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000072692647 454329440 /nfs/dbraw/zinc/32/94/40/454329440.db2.gz FSJQGWXJYYGPDR-UHFFFAOYSA-N 1 2 347.507 3.308 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000072692647 454329447 /nfs/dbraw/zinc/32/94/47/454329447.db2.gz FSJQGWXJYYGPDR-UHFFFAOYSA-N 1 2 347.507 3.308 20 30 EGEDLO C=CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000061226456 454332997 /nfs/dbraw/zinc/33/29/97/454332997.db2.gz LGAYEOKVTXBHFU-FQEVSTJZSA-N 1 2 338.426 3.097 20 30 EGEDLO C=CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000061226456 454333003 /nfs/dbraw/zinc/33/30/03/454333003.db2.gz LGAYEOKVTXBHFU-FQEVSTJZSA-N 1 2 338.426 3.097 20 30 EGEDLO COc1cc(C#N)ccc1C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000120698879 454336281 /nfs/dbraw/zinc/33/62/81/454336281.db2.gz DGGRCCRGIOVVDZ-GOSISDBHSA-N 1 2 326.396 3.341 20 30 EGEDLO COc1cc(C#N)ccc1C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000120698879 454336284 /nfs/dbraw/zinc/33/62/84/454336284.db2.gz DGGRCCRGIOVVDZ-GOSISDBHSA-N 1 2 326.396 3.341 20 30 EGEDLO C#Cc1cccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000079101888 454368061 /nfs/dbraw/zinc/36/80/61/454368061.db2.gz LOSYLFVIUJHHCN-UHFFFAOYSA-N 1 2 334.423 3.375 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000121649027 454462739 /nfs/dbraw/zinc/46/27/39/454462739.db2.gz GHLWVWQRHFTOAO-UHFFFAOYSA-N 1 2 342.483 3.498 20 30 EGEDLO CC[N@@H+](CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)C[C@H](C)C#N ZINC000064249055 454470100 /nfs/dbraw/zinc/47/01/00/454470100.db2.gz OZPXQRUKRVIFTL-GFCCVEGCSA-N 1 2 342.270 3.433 20 30 EGEDLO CC[N@@H+](CC(=O)NCCc1ccc(C(C)(C)C)cc1)C[C@@H](C)C#N ZINC000064249110 454470766 /nfs/dbraw/zinc/47/07/66/454470766.db2.gz XHISWMHCVKJCGI-INIZCTEOSA-N 1 2 329.488 3.124 20 30 EGEDLO CC[N@H+](CC(=O)NCCc1ccc(C(C)(C)C)cc1)C[C@@H](C)C#N ZINC000064249110 454470768 /nfs/dbraw/zinc/47/07/68/454470768.db2.gz XHISWMHCVKJCGI-INIZCTEOSA-N 1 2 329.488 3.124 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(Br)o1 ZINC000073872342 454494941 /nfs/dbraw/zinc/49/49/41/454494941.db2.gz PRXLBIZUSOPIGW-GFCCVEGCSA-N 1 2 341.249 3.063 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Br)o1 ZINC000073872342 454494942 /nfs/dbraw/zinc/49/49/42/454494942.db2.gz PRXLBIZUSOPIGW-GFCCVEGCSA-N 1 2 341.249 3.063 20 30 EGEDLO C=CCn1c(Cc2ccccc2)nnc1SCc1[nH+]ccn1C ZINC000064653424 454497529 /nfs/dbraw/zinc/49/75/29/454497529.db2.gz PISXOUZNMDPXHJ-UHFFFAOYSA-N 1 2 325.441 3.081 20 30 EGEDLO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(F)F ZINC000103489417 454560079 /nfs/dbraw/zinc/56/00/79/454560079.db2.gz LWCHWLUHYTXCPG-UHFFFAOYSA-N 1 2 341.427 3.414 20 30 EGEDLO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(F)F ZINC000103489417 454560084 /nfs/dbraw/zinc/56/00/84/454560084.db2.gz LWCHWLUHYTXCPG-UHFFFAOYSA-N 1 2 341.427 3.414 20 30 EGEDLO N#Cc1c(Cl)nsc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000092624663 454596967 /nfs/dbraw/zinc/59/69/67/454596967.db2.gz KFIJRAJLSASDDE-UHFFFAOYSA-N 1 2 334.832 3.244 20 30 EGEDLO N#CC1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CCC1 ZINC000134903748 454607342 /nfs/dbraw/zinc/60/73/42/454607342.db2.gz OBCAXPJQBPPIHN-HNNXBMFYSA-N 1 2 349.837 3.254 20 30 EGEDLO N#CC1(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CCC1 ZINC000134903748 454607346 /nfs/dbraw/zinc/60/73/46/454607346.db2.gz OBCAXPJQBPPIHN-HNNXBMFYSA-N 1 2 349.837 3.254 20 30 EGEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000051379331 454621580 /nfs/dbraw/zinc/62/15/80/454621580.db2.gz MDAAIXBLPMQTPC-ZDUSSCGKSA-N 1 2 331.366 3.303 20 30 EGEDLO COc1ccc([C@H](NC(=O)C[N@H+](CCC#N)CC2CC2)C(C)C)cc1 ZINC000081044895 454676426 /nfs/dbraw/zinc/67/64/26/454676426.db2.gz IWVKBKSHGPCIAM-HXUWFJFHSA-N 1 2 343.471 3.134 20 30 EGEDLO COc1ccc([C@H](NC(=O)C[N@@H+](CCC#N)CC2CC2)C(C)C)cc1 ZINC000081044895 454676430 /nfs/dbraw/zinc/67/64/30/454676430.db2.gz IWVKBKSHGPCIAM-HXUWFJFHSA-N 1 2 343.471 3.134 20 30 EGEDLO COc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1OCc1cccnc1 ZINC000093090954 454680477 /nfs/dbraw/zinc/68/04/77/454680477.db2.gz POOXVFKADJTFLA-HNNXBMFYSA-N 1 2 325.412 3.403 20 30 EGEDLO COc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1OCc1cccnc1 ZINC000093090954 454680486 /nfs/dbraw/zinc/68/04/86/454680486.db2.gz POOXVFKADJTFLA-HNNXBMFYSA-N 1 2 325.412 3.403 20 30 EGEDLO C[C@H](CNC(=O)c1ccccc1-c1ccccc1C#N)Cn1cc[nH+]c1 ZINC000153547996 454804959 /nfs/dbraw/zinc/80/49/59/454804959.db2.gz MMODFYSCWNBOLU-MRXNPFEDSA-N 1 2 344.418 3.488 20 30 EGEDLO CC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccn1 ZINC000125320569 454814154 /nfs/dbraw/zinc/81/41/54/454814154.db2.gz FICPBRNCOGXKSY-UHFFFAOYSA-N 1 2 328.803 3.067 20 30 EGEDLO CC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccn1 ZINC000125320569 454814158 /nfs/dbraw/zinc/81/41/58/454814158.db2.gz FICPBRNCOGXKSY-UHFFFAOYSA-N 1 2 328.803 3.067 20 30 EGEDLO Cc1ccc([C@H]2CSCC[N@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000112637017 454893654 /nfs/dbraw/zinc/89/36/54/454893654.db2.gz CTBXWWBGQLWTCO-MJGOQNOKSA-N 1 2 345.512 3.139 20 30 EGEDLO Cc1ccc([C@H]2CSCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000112637017 454893656 /nfs/dbraw/zinc/89/36/56/454893656.db2.gz CTBXWWBGQLWTCO-MJGOQNOKSA-N 1 2 345.512 3.139 20 30 EGEDLO COc1ccc(C#N)cc1C[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000126951436 454928389 /nfs/dbraw/zinc/92/83/89/454928389.db2.gz DVRLWGBHXQBIDA-UHFFFAOYSA-N 1 2 332.407 3.385 20 30 EGEDLO COc1ccc(C#N)cc1C[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000126951436 454928392 /nfs/dbraw/zinc/92/83/92/454928392.db2.gz DVRLWGBHXQBIDA-UHFFFAOYSA-N 1 2 332.407 3.385 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[NH+](CCSc2cccc(C#N)c2)CC1 ZINC000170605616 454940647 /nfs/dbraw/zinc/94/06/47/454940647.db2.gz OKSDCPRVHXUMKU-UHFFFAOYSA-N 1 2 347.484 3.203 20 30 EGEDLO CN(CCC#N)c1ccc(C[N@H+](C)Cc2nccn2C(F)F)cc1 ZINC000155010983 454953311 /nfs/dbraw/zinc/95/33/11/454953311.db2.gz ZRLKYFRLWNZGLG-UHFFFAOYSA-N 1 2 333.386 3.260 20 30 EGEDLO CN(CCC#N)c1ccc(C[N@@H+](C)Cc2nccn2C(F)F)cc1 ZINC000155010983 454953316 /nfs/dbraw/zinc/95/33/16/454953316.db2.gz ZRLKYFRLWNZGLG-UHFFFAOYSA-N 1 2 333.386 3.260 20 30 EGEDLO COCC[N@H+](Cc1nc2ccccc2n1C)Cc1ccc(C#N)cc1 ZINC000155021660 454954196 /nfs/dbraw/zinc/95/41/96/454954196.db2.gz OTBCMVMPCRTUKE-UHFFFAOYSA-N 1 2 334.423 3.094 20 30 EGEDLO COCC[N@@H+](Cc1nc2ccccc2n1C)Cc1ccc(C#N)cc1 ZINC000155021660 454954199 /nfs/dbraw/zinc/95/41/99/454954199.db2.gz OTBCMVMPCRTUKE-UHFFFAOYSA-N 1 2 334.423 3.094 20 30 EGEDLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000127681707 454987558 /nfs/dbraw/zinc/98/75/58/454987558.db2.gz FITNMVXVKLQUJU-LBPRGKRZSA-N 1 2 328.803 3.238 20 30 EGEDLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000127681707 454987564 /nfs/dbraw/zinc/98/75/64/454987564.db2.gz FITNMVXVKLQUJU-LBPRGKRZSA-N 1 2 328.803 3.238 20 30 EGEDLO COc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1C#N ZINC000179208680 455020847 /nfs/dbraw/zinc/02/08/47/455020847.db2.gz FJRYCYNVIQVQEY-LJQANCHMSA-N 1 2 326.371 3.279 20 30 EGEDLO COc1ccc(C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1C#N ZINC000179208680 455020849 /nfs/dbraw/zinc/02/08/49/455020849.db2.gz FJRYCYNVIQVQEY-LJQANCHMSA-N 1 2 326.371 3.279 20 30 EGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cccnc2Cl)CC1 ZINC000171077509 455026659 /nfs/dbraw/zinc/02/66/59/455026659.db2.gz IJFBZOXKTOJREY-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO Cc1csc(C(C)(C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)n1 ZINC000118849300 455115096 /nfs/dbraw/zinc/11/50/96/455115096.db2.gz WZQZJSHXMSAKSS-UHFFFAOYSA-N 1 2 348.859 3.440 20 30 EGEDLO COc1cccc(C(=O)N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000172397029 455151070 /nfs/dbraw/zinc/15/10/70/455151070.db2.gz MQXFRQDNXIYESB-MRXNPFEDSA-N 1 2 349.434 3.086 20 30 EGEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000180405969 455164577 /nfs/dbraw/zinc/16/45/77/455164577.db2.gz WCUHBAFZKBAHTA-GFCCVEGCSA-N 1 2 349.350 3.367 20 30 EGEDLO C=C[C@@H](CC(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccccc1 ZINC000157245026 455176652 /nfs/dbraw/zinc/17/66/52/455176652.db2.gz WBMVBBWSSMBNNY-ZDUSSCGKSA-N 1 2 327.453 3.429 20 30 EGEDLO C=C[C@@H](CC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccccc1 ZINC000157245026 455176653 /nfs/dbraw/zinc/17/66/53/455176653.db2.gz WBMVBBWSSMBNNY-ZDUSSCGKSA-N 1 2 327.453 3.429 20 30 EGEDLO Cc1cccc(C(C)C)c1NC(=O)CO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000174222405 455371113 /nfs/dbraw/zinc/37/11/13/455371113.db2.gz VMUJZFIXMHCWCY-OAHLLOKOSA-N 1 2 349.475 3.407 20 30 EGEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000245912093 455396931 /nfs/dbraw/zinc/39/69/31/455396931.db2.gz VTAYAGDJUZSYSL-QLFBSQMISA-N 1 2 327.428 3.480 20 30 EGEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000245912093 455396935 /nfs/dbraw/zinc/39/69/35/455396935.db2.gz VTAYAGDJUZSYSL-QLFBSQMISA-N 1 2 327.428 3.480 20 30 EGEDLO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1nc(Cc2ccccc2)no1 ZINC000266460934 455429976 /nfs/dbraw/zinc/42/99/76/455429976.db2.gz MBBOCGCSQHYGKL-HNNXBMFYSA-N 1 2 348.406 3.414 20 30 EGEDLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cs1 ZINC000184698878 455430283 /nfs/dbraw/zinc/43/02/83/455430283.db2.gz SPMBUEVSJNMMRZ-QWRGUYRKSA-N 1 2 346.456 3.465 20 30 EGEDLO Cc1ccc(C#N)c(NCc2cn3cc(Br)ccc3[nH+]2)n1 ZINC000160760725 455495602 /nfs/dbraw/zinc/49/56/02/455495602.db2.gz QJPSZOGUSWIHRS-UHFFFAOYSA-N 1 2 342.200 3.284 20 30 EGEDLO CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(C#N)s1 ZINC000160887434 455509572 /nfs/dbraw/zinc/50/95/72/455509572.db2.gz KGUYLVMLSLNZQC-UHFFFAOYSA-N 1 2 331.466 3.412 20 30 EGEDLO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)s1 ZINC000160887434 455509579 /nfs/dbraw/zinc/50/95/79/455509579.db2.gz KGUYLVMLSLNZQC-UHFFFAOYSA-N 1 2 331.466 3.412 20 30 EGEDLO CCc1nc(CN2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)cs1 ZINC000161000691 455521986 /nfs/dbraw/zinc/52/19/86/455521986.db2.gz MANYWBXVOIGNCD-UHFFFAOYSA-N 1 2 344.459 3.034 20 30 EGEDLO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1nnc2ccccn21 ZINC000182670529 455565157 /nfs/dbraw/zinc/56/51/57/455565157.db2.gz KDFSPVNFQYAJDP-CYBMUJFWSA-N 1 2 344.340 3.450 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000247237949 455576790 /nfs/dbraw/zinc/57/67/90/455576790.db2.gz AJJHTAZGFFZGSX-PMPSAXMXSA-N 1 2 336.501 3.151 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000247237949 455576791 /nfs/dbraw/zinc/57/67/91/455576791.db2.gz AJJHTAZGFFZGSX-PMPSAXMXSA-N 1 2 336.501 3.151 20 30 EGEDLO C#CC[N@@H+](C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000192237391 455579106 /nfs/dbraw/zinc/57/91/06/455579106.db2.gz KEASMGUCVGHABO-CQSZACIVSA-N 1 2 343.477 3.052 20 30 EGEDLO C#CC[N@H+](C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000192237391 455579109 /nfs/dbraw/zinc/57/91/09/455579109.db2.gz KEASMGUCVGHABO-CQSZACIVSA-N 1 2 343.477 3.052 20 30 EGEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000292231465 455603281 /nfs/dbraw/zinc/60/32/81/455603281.db2.gz PPDHWAACPZFDSS-ZDUSSCGKSA-N 1 2 329.227 3.135 20 30 EGEDLO C=CC[N@H+](CCC#N)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000292231465 455603283 /nfs/dbraw/zinc/60/32/83/455603283.db2.gz PPDHWAACPZFDSS-ZDUSSCGKSA-N 1 2 329.227 3.135 20 30 EGEDLO COc1ccccc1N1CC[C@@H]([N@H+](CCC#N)CCC(C)C)C1=O ZINC000192610856 455653456 /nfs/dbraw/zinc/65/34/56/455653456.db2.gz CVXXKQKCJOSVOT-QGZVFWFLSA-N 1 2 329.444 3.062 20 30 EGEDLO COc1ccccc1N1CC[C@@H]([N@@H+](CCC#N)CCC(C)C)C1=O ZINC000192610856 455653459 /nfs/dbraw/zinc/65/34/59/455653459.db2.gz CVXXKQKCJOSVOT-QGZVFWFLSA-N 1 2 329.444 3.062 20 30 EGEDLO C[C@@H](c1cccc(NC(=O)c2ccccc2CC#N)c1)[NH+]1CCOCC1 ZINC000601041696 460685869 /nfs/dbraw/zinc/68/58/69/460685869.db2.gz LXTUXIGDZPGEGD-INIZCTEOSA-N 1 2 349.434 3.398 20 30 EGEDLO CCc1nocc1C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000293396170 455784888 /nfs/dbraw/zinc/78/48/88/455784888.db2.gz LEBZOHHJYREKOD-OAHLLOKOSA-N 1 2 340.427 3.004 20 30 EGEDLO CCc1nocc1C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000293396170 455784896 /nfs/dbraw/zinc/78/48/96/455784896.db2.gz LEBZOHHJYREKOD-OAHLLOKOSA-N 1 2 340.427 3.004 20 30 EGEDLO N#Cc1ccc(NC(=O)N2CC[NH+](Cc3ccco3)CC2)c(Cl)c1 ZINC000269140619 455796758 /nfs/dbraw/zinc/79/67/58/455796758.db2.gz OCFKECRYYIUDSX-UHFFFAOYSA-N 1 2 344.802 3.154 20 30 EGEDLO C#CCCCCC(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000271968916 455807801 /nfs/dbraw/zinc/80/78/01/455807801.db2.gz WMFKDDRIZZKRAP-UHFFFAOYSA-N 1 2 335.451 3.204 20 30 EGEDLO C=C(C)[C@H](CC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1)OCC ZINC000270069710 455871236 /nfs/dbraw/zinc/87/12/36/455871236.db2.gz XCCCAZAVKVUXPM-WMZOPIPTSA-N 1 2 345.418 3.136 20 30 EGEDLO N#Cc1ccc(OCC[N@@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)cc1 ZINC000187254052 455888116 /nfs/dbraw/zinc/88/81/16/455888116.db2.gz KKVHFEVJELJSIE-LJQANCHMSA-N 1 2 344.361 3.289 20 30 EGEDLO N#Cc1ccc(OCC[N@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)cc1 ZINC000187254052 455888121 /nfs/dbraw/zinc/88/81/21/455888121.db2.gz KKVHFEVJELJSIE-LJQANCHMSA-N 1 2 344.361 3.289 20 30 EGEDLO C=C(C)[C@H](CC(=O)NCCNc1ccc2ccccc2[nH+]1)OCC ZINC000270245715 455910629 /nfs/dbraw/zinc/91/06/29/455910629.db2.gz XMFCJPKJLMIHCK-KRWDZBQOSA-N 1 2 327.428 3.134 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cc1Cl ZINC000280229406 455922069 /nfs/dbraw/zinc/92/20/69/455922069.db2.gz JPVQDBVBLLTZAG-KBXCAEBGSA-N 1 2 337.847 3.285 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cc1Cl ZINC000280229406 455922075 /nfs/dbraw/zinc/92/20/75/455922075.db2.gz JPVQDBVBLLTZAG-KBXCAEBGSA-N 1 2 337.847 3.285 20 30 EGEDLO C[NH+](C)[C@H](CNC(=O)c1ccc(CC#N)cc1)c1c(F)cccc1F ZINC000270345465 455934104 /nfs/dbraw/zinc/93/41/04/455934104.db2.gz RXDFCLSNPQGFBR-QGZVFWFLSA-N 1 2 343.377 3.064 20 30 EGEDLO N#Cc1c(F)cccc1NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000198223268 456001455 /nfs/dbraw/zinc/00/14/55/456001455.db2.gz KFFJKODLZRIJRP-INIZCTEOSA-N 1 2 331.416 3.244 20 30 EGEDLO C[C@H]1COCC[N@@H+]1CCSc1ccc(C#N)c(C(F)(F)F)c1 ZINC000188329156 456044115 /nfs/dbraw/zinc/04/41/15/456044115.db2.gz DBSVVFQLFUXNKD-NSHDSACASA-N 1 2 330.375 3.390 20 30 EGEDLO C[C@H]1COCC[N@H+]1CCSc1ccc(C#N)c(C(F)(F)F)c1 ZINC000188329156 456044121 /nfs/dbraw/zinc/04/41/21/456044121.db2.gz DBSVVFQLFUXNKD-NSHDSACASA-N 1 2 330.375 3.390 20 30 EGEDLO Cc1nsc(N2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)c1C#N ZINC000286736437 456053516 /nfs/dbraw/zinc/05/35/16/456053516.db2.gz FYZOFJSLIGHLFC-AWEZNQCLSA-N 1 2 337.452 3.078 20 30 EGEDLO CC(C)(C#N)c1ccc(NC(=O)C2CC[NH+](CC(F)F)CC2)cc1 ZINC000280825377 456060490 /nfs/dbraw/zinc/06/04/90/456060490.db2.gz SGDFBADZQMYBJE-UHFFFAOYSA-N 1 2 335.398 3.403 20 30 EGEDLO C=CCCCCCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000287515584 456070854 /nfs/dbraw/zinc/07/08/54/456070854.db2.gz WRIBNUBWTPXOBG-UHFFFAOYSA-N 1 2 330.476 3.045 20 30 EGEDLO CC(C)(C)c1nc(NC2CCN(c3ccc(C#N)cn3)CC2)cc[nH+]1 ZINC000301560723 456145910 /nfs/dbraw/zinc/14/59/10/456145910.db2.gz XURVZWGRQJAICK-UHFFFAOYSA-N 1 2 336.443 3.122 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000333025398 456148507 /nfs/dbraw/zinc/14/85/07/456148507.db2.gz HTQYEVUGPNYLMU-HOTGVXAUSA-N 1 2 341.455 3.001 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000333025398 456148510 /nfs/dbraw/zinc/14/85/10/456148510.db2.gz HTQYEVUGPNYLMU-HOTGVXAUSA-N 1 2 341.455 3.001 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ncc(-c3cccc(Cl)c3)o2)C1=O ZINC000281445044 456236141 /nfs/dbraw/zinc/23/61/41/456236141.db2.gz UHRSTMYYHBMFOX-OAHLLOKOSA-N 1 2 345.830 3.214 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ncc(-c3cccc(Cl)c3)o2)C1=O ZINC000281445044 456236145 /nfs/dbraw/zinc/23/61/45/456236145.db2.gz UHRSTMYYHBMFOX-OAHLLOKOSA-N 1 2 345.830 3.214 20 30 EGEDLO Cc1nnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000273722413 456243425 /nfs/dbraw/zinc/24/34/25/456243425.db2.gz RVTGANPKCKADAC-BDAKNGLRSA-N 1 2 349.847 3.049 20 30 EGEDLO COc1ccc2[nH+]c(C)nc(NCCOc3ccc(C#N)cc3)c2c1 ZINC000301938339 456254514 /nfs/dbraw/zinc/25/45/14/456254514.db2.gz ULQLZCXUPVWEDZ-UHFFFAOYSA-N 1 2 334.379 3.309 20 30 EGEDLO C=CCCCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000274613093 456262640 /nfs/dbraw/zinc/26/26/40/456262640.db2.gz UXMSKYFXLXKHRC-INIZCTEOSA-N 1 2 330.407 3.304 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000275447745 456274721 /nfs/dbraw/zinc/27/47/21/456274721.db2.gz HYKQNAQQEBMNEH-UZLBHIALSA-N 1 2 346.471 3.247 20 30 EGEDLO Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000281652093 456282738 /nfs/dbraw/zinc/28/27/38/456282738.db2.gz PTESHXXUZDWZGG-RLFYNMQTSA-N 1 2 327.428 3.099 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000352807184 456325829 /nfs/dbraw/zinc/32/58/29/456325829.db2.gz WLVCPKCGIPCCQQ-MRXNPFEDSA-N 1 2 348.487 3.330 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000352807184 456325833 /nfs/dbraw/zinc/32/58/33/456325833.db2.gz WLVCPKCGIPCCQQ-MRXNPFEDSA-N 1 2 348.487 3.330 20 30 EGEDLO C=C(C)C[N@@H+](CCCS(=O)(=O)C(C)C)Cc1cnn(C(C)C)c1 ZINC000352905008 456403651 /nfs/dbraw/zinc/40/36/51/456403651.db2.gz WZRKOMFJDGJAAR-UHFFFAOYSA-N 1 2 341.521 3.055 20 30 EGEDLO C=C(C)C[N@H+](CCCS(=O)(=O)C(C)C)Cc1cnn(C(C)C)c1 ZINC000352905008 456403656 /nfs/dbraw/zinc/40/36/56/456403656.db2.gz WZRKOMFJDGJAAR-UHFFFAOYSA-N 1 2 341.521 3.055 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1nccs1 ZINC000352915976 456410265 /nfs/dbraw/zinc/41/02/65/456410265.db2.gz QTOPZXRLSPMVIF-AWEZNQCLSA-N 1 2 347.488 3.326 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1nccs1 ZINC000352915976 456410271 /nfs/dbraw/zinc/41/02/71/456410271.db2.gz QTOPZXRLSPMVIF-AWEZNQCLSA-N 1 2 347.488 3.326 20 30 EGEDLO C=CCOc1cccc(CN2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000352980205 456427338 /nfs/dbraw/zinc/42/73/38/456427338.db2.gz AHMJJDIZBKNXOZ-UHFFFAOYSA-N 1 2 338.451 3.275 20 30 EGEDLO CC[C@H](C#N)Oc1cc(CNc2nc[nH+]c(N)c2Cl)ccc1OC ZINC000302891210 456427589 /nfs/dbraw/zinc/42/75/89/456427589.db2.gz NSNMERWRAXSPDS-LLVKDONJSA-N 1 2 347.806 3.014 20 30 EGEDLO CC[C@H](C#N)Oc1cc(CNc2[nH+]cnc(N)c2Cl)ccc1OC ZINC000302891210 456427594 /nfs/dbraw/zinc/42/75/94/456427594.db2.gz NSNMERWRAXSPDS-LLVKDONJSA-N 1 2 347.806 3.014 20 30 EGEDLO CCc1nnc([C@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)o1 ZINC000353028356 456447517 /nfs/dbraw/zinc/44/75/17/456447517.db2.gz ZYFHQZQGLWSQFE-LBPRGKRZSA-N 1 2 344.390 3.247 20 30 EGEDLO Cc1cc(N2CCC(F)(C#N)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000343228096 456467099 /nfs/dbraw/zinc/46/70/99/456467099.db2.gz XSNPNXGQMDHSJM-UHFFFAOYSA-N 1 2 341.346 3.192 20 30 EGEDLO N#Cc1cc(F)ccc1CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000348123062 456499279 /nfs/dbraw/zinc/49/92/79/456499279.db2.gz IUEXLLDEHCTRSC-UHFFFAOYSA-N 1 2 327.378 3.154 20 30 EGEDLO Cc1cc(NC(=O)c2cccc(C#N)c2C)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000337964977 456625290 /nfs/dbraw/zinc/62/52/90/456625290.db2.gz AYTFKGCRWTZCPZ-UHFFFAOYSA-N 1 2 346.394 3.020 20 30 EGEDLO N#Cc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c(Cl)c1 ZINC000338001145 456648363 /nfs/dbraw/zinc/64/83/63/456648363.db2.gz NPERBTXHOJRYNP-ZDUSSCGKSA-N 1 2 341.802 3.007 20 30 EGEDLO Cn1c2ccc(CNC(=O)c3cccc(CC#N)c3)cc2[nH+]c1C1CC1 ZINC000282879889 456653669 /nfs/dbraw/zinc/65/36/69/456653669.db2.gz JLIGNYUNSAKWFG-UHFFFAOYSA-N 1 2 344.418 3.447 20 30 EGEDLO CC(C)[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccco1 ZINC000299394803 456679075 /nfs/dbraw/zinc/67/90/75/456679075.db2.gz SQUCHIUBHJZQLF-UHFFFAOYSA-N 1 2 325.412 3.437 20 30 EGEDLO CC(C)[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccco1 ZINC000299394803 456679079 /nfs/dbraw/zinc/67/90/79/456679079.db2.gz SQUCHIUBHJZQLF-UHFFFAOYSA-N 1 2 325.412 3.437 20 30 EGEDLO [O-]C(=[NH+]CCn1cc[nH+]c1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000328588533 456714561 /nfs/dbraw/zinc/71/45/61/456714561.db2.gz SBNLSTYDAVMKTJ-INIZCTEOSA-N 1 2 334.370 3.303 20 30 EGEDLO C=CCN(CC=C)C(=O)C[NH2+]C(C)(C)c1nc(C(F)(F)F)cs1 ZINC000348514515 456725238 /nfs/dbraw/zinc/72/52/38/456725238.db2.gz LJYQDIIBPFRRAI-UHFFFAOYSA-N 1 2 347.406 3.187 20 30 EGEDLO O=C(NC[C@@H]1CCCC(F)(F)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000328714731 456743987 /nfs/dbraw/zinc/74/39/87/456743987.db2.gz OGWUABIJXUZHOX-GFCCVEGCSA-N 1 2 326.391 3.329 20 30 EGEDLO O=C(NC[C@@H]1CCCC(F)(F)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000328714731 456743996 /nfs/dbraw/zinc/74/39/96/456743996.db2.gz OGWUABIJXUZHOX-GFCCVEGCSA-N 1 2 326.391 3.329 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(Cl)c2Cl)C1=O ZINC000343630006 456758376 /nfs/dbraw/zinc/75/83/76/456758376.db2.gz ZNYLEKAHSQAPOT-GFCCVEGCSA-N 1 2 331.218 3.351 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(F)c(Cl)c2Cl)C1=O ZINC000343630006 456758368 /nfs/dbraw/zinc/75/83/68/456758368.db2.gz ZNYLEKAHSQAPOT-GFCCVEGCSA-N 1 2 331.218 3.351 20 30 EGEDLO CC1(C)CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000328788098 456760985 /nfs/dbraw/zinc/76/09/85/456760985.db2.gz PDZILIZTYCVYRO-INIZCTEOSA-N 1 2 346.475 3.259 20 30 EGEDLO CC1(C)CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000328788098 456760992 /nfs/dbraw/zinc/76/09/92/456760992.db2.gz PDZILIZTYCVYRO-INIZCTEOSA-N 1 2 346.475 3.259 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1)N1CCOCC1 ZINC000328808712 456766047 /nfs/dbraw/zinc/76/60/47/456766047.db2.gz IQTSRTHCALGHTM-AWEZNQCLSA-N 1 2 342.443 3.071 20 30 EGEDLO C=CCCCS(=O)(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000291823738 456768912 /nfs/dbraw/zinc/76/89/12/456768912.db2.gz FGUVQBJKQVCLRZ-UHFFFAOYSA-N 1 2 343.452 3.310 20 30 EGEDLO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000343747312 456771026 /nfs/dbraw/zinc/77/10/26/456771026.db2.gz KZBYXVVXYOCJFT-CHWSQXEVSA-N 1 2 339.365 3.062 20 30 EGEDLO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000343747312 456771031 /nfs/dbraw/zinc/77/10/31/456771031.db2.gz KZBYXVVXYOCJFT-CHWSQXEVSA-N 1 2 339.365 3.062 20 30 EGEDLO C[C@H]([NH+]=C([O-])N1CCC(c2c[nH+]c[nH]2)CC1)[C@H]1COc2ccccc21 ZINC000328844673 456773369 /nfs/dbraw/zinc/77/33/69/456773369.db2.gz PYZARFCVOWPJCW-XJKSGUPXSA-N 1 2 340.427 3.068 20 30 EGEDLO C[C@H]1CCN(C([O-])=[NH+]c2scnc2C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000328908138 456788757 /nfs/dbraw/zinc/78/87/57/456788757.db2.gz CRHHSGKCUGXYEQ-WCQYABFASA-N 1 2 331.445 3.346 20 30 EGEDLO CC(C)(C)[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000328935684 456795396 /nfs/dbraw/zinc/79/53/96/456795396.db2.gz JHLQNTZUVYNVOQ-KFWWJZLASA-N 1 2 334.464 3.097 20 30 EGEDLO O=C(C[N@@H+]1CCOCC12CCCC2)N[C@@H]1CCOc2ccccc21 ZINC000328939650 456796334 /nfs/dbraw/zinc/79/63/34/456796334.db2.gz SANAAVKRDWVXFS-MRXNPFEDSA-N 1 2 330.428 3.112 20 30 EGEDLO O=C(C[N@H+]1CCOCC12CCCC2)N[C@@H]1CCOc2ccccc21 ZINC000328939650 456796340 /nfs/dbraw/zinc/79/63/40/456796340.db2.gz SANAAVKRDWVXFS-MRXNPFEDSA-N 1 2 330.428 3.112 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CC1 ZINC000348648929 456800626 /nfs/dbraw/zinc/80/06/26/456800626.db2.gz XARXDJYIVMESAR-MRXNPFEDSA-N 1 2 337.427 3.494 20 30 EGEDLO C=CC[C@@H](CC)NC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000344287211 456812971 /nfs/dbraw/zinc/81/29/71/456812971.db2.gz UNWPSHNUTOOANC-RTBURBONSA-N 1 2 345.487 3.022 20 30 EGEDLO CC(C)[C@@H](C(=O)Nc1ccc2[nH]cnc2c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000329057950 456824685 /nfs/dbraw/zinc/82/46/85/456824685.db2.gz ISEPTHIUWWOZAR-AHIWAGSCSA-N 1 2 330.432 3.285 20 30 EGEDLO CC(C)[C@@H](C(=O)Nc1ccc2[nH]cnc2c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000329057950 456824688 /nfs/dbraw/zinc/82/46/88/456824688.db2.gz ISEPTHIUWWOZAR-AHIWAGSCSA-N 1 2 330.432 3.285 20 30 EGEDLO CC(C)[C@@H](C(=O)Nc1ccc2nc[nH]c2c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000329057950 456824692 /nfs/dbraw/zinc/82/46/92/456824692.db2.gz ISEPTHIUWWOZAR-AHIWAGSCSA-N 1 2 330.432 3.285 20 30 EGEDLO CC(C)[C@@H](C(=O)Nc1ccc2nc[nH]c2c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000329057950 456824696 /nfs/dbraw/zinc/82/46/96/456824696.db2.gz ISEPTHIUWWOZAR-AHIWAGSCSA-N 1 2 330.432 3.285 20 30 EGEDLO CC1(C)CC[C@@H](CNC(=O)N2CCn3cc[nH+]c3C2)c2ccccc21 ZINC000329127761 456839209 /nfs/dbraw/zinc/83/92/09/456839209.db2.gz ZFGPQKTYQSLIAM-HNNXBMFYSA-N 1 2 338.455 3.468 20 30 EGEDLO C[C@@]1(NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CCCOC1 ZINC000329161511 456845710 /nfs/dbraw/zinc/84/57/10/456845710.db2.gz ZAFULCLNXZHOKK-LJQANCHMSA-N 1 2 346.475 3.035 20 30 EGEDLO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329285813 456867183 /nfs/dbraw/zinc/86/71/83/456867183.db2.gz ONDQGJFYOGCBHA-NJAFHUGGSA-N 1 2 338.492 3.038 20 30 EGEDLO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329285813 456867185 /nfs/dbraw/zinc/86/71/85/456867185.db2.gz ONDQGJFYOGCBHA-NJAFHUGGSA-N 1 2 338.492 3.038 20 30 EGEDLO CC[C@@H]1CCCN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CC1 ZINC000329335745 456874759 /nfs/dbraw/zinc/87/47/59/456874759.db2.gz LJOIMLFBMAAPSN-NVXWUHKLSA-N 1 2 348.491 3.314 20 30 EGEDLO O=C(NCc1cn2c([nH+]1)CCCC2)Nc1cnc2c(c1)CCCC2 ZINC000329462863 456894647 /nfs/dbraw/zinc/89/46/47/456894647.db2.gz QIIHIUXQIAXYTI-UHFFFAOYSA-N 1 2 325.416 3.019 20 30 EGEDLO Cc1cc(NC(=O)N(C)C[C@H]2CCCO2)c[nH+]c1N1CCCC[C@@H]1C ZINC000329589212 456912488 /nfs/dbraw/zinc/91/24/88/456912488.db2.gz SOQMXVZWKJPQCU-DOTOQJQBSA-N 1 2 346.475 3.425 20 30 EGEDLO Cc1ccccc1CCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000349258995 456926454 /nfs/dbraw/zinc/92/64/54/456926454.db2.gz CVTLKVKCNRIEQK-UHFFFAOYSA-N 1 2 347.462 3.144 20 30 EGEDLO Cc1nn(C)c2cc(NC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)ccc12 ZINC000329808500 456943493 /nfs/dbraw/zinc/94/34/93/456943493.db2.gz LYISGKIYDFOLRN-UHFFFAOYSA-N 1 2 338.415 3.030 20 30 EGEDLO Cc1nn(C)c2cc(NC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)ccc12 ZINC000329808500 456943496 /nfs/dbraw/zinc/94/34/96/456943496.db2.gz LYISGKIYDFOLRN-UHFFFAOYSA-N 1 2 338.415 3.030 20 30 EGEDLO CC(C)(C)c1cnc(NC(=O)NC[C@H]2CCc3[nH+]ccn3C2)s1 ZINC000329857663 456952236 /nfs/dbraw/zinc/95/22/36/456952236.db2.gz ZIDIFCKWXJYKCW-LLVKDONJSA-N 1 2 333.461 3.226 20 30 EGEDLO Cc1ccc([C@@H]2CCN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)C2)c(C)c1 ZINC000329959015 456967117 /nfs/dbraw/zinc/96/71/17/456967117.db2.gz QXTSTWZRSMHXBC-SJORKVTESA-N 1 2 338.455 3.218 20 30 EGEDLO C=CCSc1ccccc1C(=O)N(C)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000345390480 456977027 /nfs/dbraw/zinc/97/70/27/456977027.db2.gz COJHYSSDHVUVLL-HOTGVXAUSA-N 1 2 348.512 3.146 20 30 EGEDLO CCN1CCN(C(=O)Nc2cccc3ccccc32)C[C@H]1c1[nH]cc[nH+]1 ZINC000330045273 456978454 /nfs/dbraw/zinc/97/84/54/456978454.db2.gz GIVGXMFHYOPOBS-SFHVURJKSA-N 1 2 349.438 3.487 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000330076802 456981352 /nfs/dbraw/zinc/98/13/52/456981352.db2.gz DWPMDUZHZJKXIS-CVEARBPZSA-N 1 2 346.475 3.005 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330129797 456989118 /nfs/dbraw/zinc/98/91/18/456989118.db2.gz OPHATKKBYKCEPW-SEFVSHJNSA-N 1 2 338.492 3.180 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330129797 456989123 /nfs/dbraw/zinc/98/91/23/456989123.db2.gz OPHATKKBYKCEPW-SEFVSHJNSA-N 1 2 338.492 3.180 20 30 EGEDLO CC(C)[C@H](NC(=O)C[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1)c1ccccc1 ZINC000330155849 456993287 /nfs/dbraw/zinc/99/32/87/456993287.db2.gz OHEBFMVDYXSUHJ-UXPWSPDFSA-N 1 2 346.471 3.220 20 30 EGEDLO CC(C)[C@H](NC(=O)C[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1)c1ccccc1 ZINC000330155849 456993291 /nfs/dbraw/zinc/99/32/91/456993291.db2.gz OHEBFMVDYXSUHJ-UXPWSPDFSA-N 1 2 346.471 3.220 20 30 EGEDLO [O-]C(N[C@@H]1CCSc2c(F)cccc21)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330175412 456996195 /nfs/dbraw/zinc/99/61/95/456996195.db2.gz JCESMAVEUAEXBY-BXUZGUMPSA-N 1 2 346.431 3.078 20 30 EGEDLO [O-]C(NCCC12CC3CC(CC(C3)C1)C2)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330187328 456998180 /nfs/dbraw/zinc/99/81/80/456998180.db2.gz SXSATCXLPHGYSW-FAKMSMKASA-N 1 2 342.487 3.308 20 30 EGEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]CCC12CC3CC(CC(C3)C1)C2 ZINC000330187328 456998182 /nfs/dbraw/zinc/99/81/82/456998182.db2.gz SXSATCXLPHGYSW-FAKMSMKASA-N 1 2 342.487 3.308 20 30 EGEDLO CC[C@@H]1OCCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000330241749 457010676 /nfs/dbraw/zinc/01/06/76/457010676.db2.gz BWIYGQBHWIJIML-OALUTQOASA-N 1 2 346.471 3.181 20 30 EGEDLO C[C@@H](C1CC1)n1cc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cn1 ZINC000330254800 457013250 /nfs/dbraw/zinc/01/32/50/457013250.db2.gz PIUVYHXRGDXNEG-LBPRGKRZSA-N 1 2 328.420 3.002 20 30 EGEDLO C[C@@H](C1CC1)n1cc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cn1 ZINC000330254800 457013253 /nfs/dbraw/zinc/01/32/53/457013253.db2.gz PIUVYHXRGDXNEG-LBPRGKRZSA-N 1 2 328.420 3.002 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000330276833 457019555 /nfs/dbraw/zinc/01/95/55/457019555.db2.gz NMDPZGHUPXTQRY-CVEARBPZSA-N 1 2 346.475 3.446 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCCc1cscn1 ZINC000330279310 457019733 /nfs/dbraw/zinc/01/97/33/457019733.db2.gz QVRWOANLUCUDGQ-AWEZNQCLSA-N 1 2 333.461 3.043 20 30 EGEDLO CC[N@H+](Cc1ccc(F)cc1C#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000346324683 457033694 /nfs/dbraw/zinc/03/36/94/457033694.db2.gz ANCUQPUODOYWMJ-LJQANCHMSA-N 1 2 337.398 3.325 20 30 EGEDLO CC[N@@H+](Cc1ccc(F)cc1C#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000346324683 457033698 /nfs/dbraw/zinc/03/36/98/457033698.db2.gz ANCUQPUODOYWMJ-LJQANCHMSA-N 1 2 337.398 3.325 20 30 EGEDLO CCN1CCN(C(=O)Nc2ccccc2SC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330360540 457035075 /nfs/dbraw/zinc/03/50/75/457035075.db2.gz XFXCGQOEKTYJMQ-CQSZACIVSA-N 1 2 345.472 3.056 20 30 EGEDLO COCC1(C#N)CC[NH+](CC(=O)Nc2cccc3ccccc32)CC1 ZINC000341982565 457039841 /nfs/dbraw/zinc/03/98/41/457039841.db2.gz AYXJLHISYYBVEG-UHFFFAOYSA-N 1 2 337.423 3.030 20 30 EGEDLO CCc1ccc(-c2noc(C[NH+]3CCC(C#N)(COC)CC3)n2)cc1 ZINC000341982074 457040122 /nfs/dbraw/zinc/04/01/22/457040122.db2.gz CYQZJIDTZNXWOG-UHFFFAOYSA-N 1 2 340.427 3.051 20 30 EGEDLO C=CC1CCN(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)CC1 ZINC000349772929 457046411 /nfs/dbraw/zinc/04/64/11/457046411.db2.gz BWDNFOAIBCUHJM-KRWDZBQOSA-N 1 2 342.418 3.256 20 30 EGEDLO CC[C@]1(C)COCC[N@@H+]1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000330516768 457051938 /nfs/dbraw/zinc/05/19/38/457051938.db2.gz MKJCLCRAYDWTRX-HXUWFJFHSA-N 1 2 343.471 3.051 20 30 EGEDLO CC[C@]1(C)COCC[N@H+]1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000330516768 457051942 /nfs/dbraw/zinc/05/19/42/457051942.db2.gz MKJCLCRAYDWTRX-HXUWFJFHSA-N 1 2 343.471 3.051 20 30 EGEDLO C=C1CC[NH+]([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000356568958 457061336 /nfs/dbraw/zinc/06/13/36/457061336.db2.gz XCKPFFQYXGOUPJ-OAHLLOKOSA-N 1 2 340.345 3.343 20 30 EGEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(C(F)F)CC2)cc1Cl ZINC000362725018 457063781 /nfs/dbraw/zinc/06/37/81/457063781.db2.gz COEOXHOBLURDPX-UHFFFAOYSA-N 1 2 327.762 3.127 20 30 EGEDLO C=CCOCCCSC[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000342025906 457066100 /nfs/dbraw/zinc/06/61/00/457066100.db2.gz QSOOWANCXHOGQI-MRXNPFEDSA-N 1 2 334.485 3.340 20 30 EGEDLO COc1ccc(C[N@@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)cc1C#N ZINC000330694304 457071543 /nfs/dbraw/zinc/07/15/43/457071543.db2.gz SUDVNQJNCUIOON-UHFFFAOYSA-N 1 2 343.471 3.036 20 30 EGEDLO COc1ccc(C[N@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)cc1C#N ZINC000330694304 457071548 /nfs/dbraw/zinc/07/15/48/457071548.db2.gz SUDVNQJNCUIOON-UHFFFAOYSA-N 1 2 343.471 3.036 20 30 EGEDLO Cc1cc(OCC(=O)NCc2ccc(C#N)cc2)c2ccccc2[nH+]1 ZINC000362755764 457080342 /nfs/dbraw/zinc/08/03/42/457080342.db2.gz AMTXKMOKIPRJBY-UHFFFAOYSA-N 1 2 331.375 3.110 20 30 EGEDLO C=CC[C@H](CC)NC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000359936943 457157248 /nfs/dbraw/zinc/15/72/48/457157248.db2.gz YYZVAYPVQMPJBJ-SWLSCSKDSA-N 1 2 325.403 3.221 20 30 EGEDLO CCCC(=O)NC[C@H]1CCCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000331341576 457169848 /nfs/dbraw/zinc/16/98/48/457169848.db2.gz SQCBLBXXKCWJEH-MRXNPFEDSA-N 1 2 346.475 3.181 20 30 EGEDLO CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000331350396 457171093 /nfs/dbraw/zinc/17/10/93/457171093.db2.gz YJQLFIPBNXZOBQ-IBGZPJMESA-N 1 2 347.459 3.464 20 30 EGEDLO CCOC(=O)[C@]1(C(C)C)CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000331350397 457171234 /nfs/dbraw/zinc/17/12/34/457171234.db2.gz YJQLFIPBNXZOBQ-LJQANCHMSA-N 1 2 347.459 3.464 20 30 EGEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)Nc1ccccc1Br ZINC000331356465 457172512 /nfs/dbraw/zinc/17/25/12/457172512.db2.gz RYSVHOHPEJOLAN-DMDPSCGWSA-N 1 2 336.233 3.058 20 30 EGEDLO C=C(C)[C@H]1OCC[C@H]1c1nc(CCn2c(C)[nH+]c3ccccc32)no1 ZINC000350293494 457174047 /nfs/dbraw/zinc/17/40/47/457174047.db2.gz JGFZGPJGISTIED-RDTXWAMCSA-N 1 2 338.411 3.419 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(CC#N)cc1)c1ccccc1F ZINC000363159374 457241694 /nfs/dbraw/zinc/24/16/94/457241694.db2.gz NRLKCCSJGMZUFK-GOSISDBHSA-N 1 2 348.381 3.145 20 30 EGEDLO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000331766530 457247615 /nfs/dbraw/zinc/24/76/15/457247615.db2.gz BBEIODGDRFNJLK-FUHWJXTLSA-N 1 2 337.427 3.322 20 30 EGEDLO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000331766530 457247621 /nfs/dbraw/zinc/24/76/21/457247621.db2.gz BBEIODGDRFNJLK-FUHWJXTLSA-N 1 2 337.427 3.322 20 30 EGEDLO N#Cc1ccc(OCC[N@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000354508541 457262528 /nfs/dbraw/zinc/26/25/28/457262528.db2.gz WKJVQHAVGHNNKY-UHFFFAOYSA-N 1 2 332.407 3.363 20 30 EGEDLO N#Cc1ccc(OCC[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000354508541 457262535 /nfs/dbraw/zinc/26/25/35/457262535.db2.gz WKJVQHAVGHNNKY-UHFFFAOYSA-N 1 2 332.407 3.363 20 30 EGEDLO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC(F)(C#N)CC1 ZINC000352441997 457370927 /nfs/dbraw/zinc/37/09/27/457370927.db2.gz IDZLZMBEXBLKDQ-KBPBESRZSA-N 1 2 335.448 3.128 20 30 EGEDLO CC(C)(CC(=O)N(CCC#N)CC[NH+]1CCOCC1)C1CCCCC1 ZINC000355456552 457375545 /nfs/dbraw/zinc/37/55/45/457375545.db2.gz LDVUBILVBFRIGI-UHFFFAOYSA-N 1 2 349.519 3.057 20 30 EGEDLO CN(CCCn1cc[nH+]c1)c1c(C#N)cnc2c(F)c(F)c(F)cc21 ZINC000342631412 457415735 /nfs/dbraw/zinc/41/57/35/457415735.db2.gz FJULIPYYLJCACL-UHFFFAOYSA-N 1 2 345.328 3.247 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000425109649 457439928 /nfs/dbraw/zinc/43/99/28/457439928.db2.gz MKRHQNNIYICKDO-GPMSIDNRSA-N 1 2 348.450 3.245 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000363954242 457467809 /nfs/dbraw/zinc/46/78/09/457467809.db2.gz VYUBWXBCVRBGDW-RTBURBONSA-N 1 2 344.418 3.175 20 30 EGEDLO Cc1cc(N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c(C#N)c[nH+]1 ZINC000425243473 457469433 /nfs/dbraw/zinc/46/94/33/457469433.db2.gz FOMZNWLBPSISJY-NVXWUHKLSA-N 1 2 331.778 3.418 20 30 EGEDLO Cc1c[nH+]ccc1CCNc1c(C#N)cnc2c(F)c(F)c(F)cc21 ZINC000342775568 457515781 /nfs/dbraw/zinc/51/57/81/457515781.db2.gz GWRPTEXKEIIUPJ-UHFFFAOYSA-N 1 2 342.324 3.304 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2c(F)cccc2OC(F)(F)F)CC1 ZINC000342840647 457551020 /nfs/dbraw/zinc/55/10/20/457551020.db2.gz OLOBRBMVAVAOAF-UHFFFAOYSA-N 1 2 346.324 3.476 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000425451496 457559584 /nfs/dbraw/zinc/55/95/84/457559584.db2.gz MMICMATWRXWPAP-HNNXBMFYSA-N 1 2 337.427 3.158 20 30 EGEDLO Cn1c2ccccc2[nH+]c1CCCNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000357490885 457562224 /nfs/dbraw/zinc/56/22/24/457562224.db2.gz SFNWCOQLDBKYBT-UHFFFAOYSA-N 1 2 335.367 3.398 20 30 EGEDLO C=CCOC[C@@H]([NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)C(=O)OC ZINC000361109952 457586752 /nfs/dbraw/zinc/58/67/52/457586752.db2.gz OKLKOIGIHSZKMJ-QZTJIDSGSA-N 1 2 333.403 3.095 20 30 EGEDLO COc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000370367785 457632070 /nfs/dbraw/zinc/63/20/70/457632070.db2.gz QMFJNRZLWDEBMA-CYBMUJFWSA-N 1 2 334.379 3.468 20 30 EGEDLO C[C@@H]1[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CCOC1(C)C ZINC000357656207 457643391 /nfs/dbraw/zinc/64/33/91/457643391.db2.gz IUDFOIHEKMESDU-HNNXBMFYSA-N 1 2 339.439 3.237 20 30 EGEDLO C[C@@H]1[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CCOC1(C)C ZINC000357656207 457643395 /nfs/dbraw/zinc/64/33/95/457643395.db2.gz IUDFOIHEKMESDU-HNNXBMFYSA-N 1 2 339.439 3.237 20 30 EGEDLO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000370456878 457651758 /nfs/dbraw/zinc/65/17/58/457651758.db2.gz KOYGUZHZOAWTHE-SJORKVTESA-N 1 2 329.444 3.283 20 30 EGEDLO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000370456878 457651763 /nfs/dbraw/zinc/65/17/63/457651763.db2.gz KOYGUZHZOAWTHE-SJORKVTESA-N 1 2 329.444 3.283 20 30 EGEDLO COCc1cc(NCCc2cccc(C#N)c2)c2cc(F)ccc2[nH+]1 ZINC000357685470 457655918 /nfs/dbraw/zinc/65/59/18/457655918.db2.gz ZOPRFGAGHGIZHM-UHFFFAOYSA-N 1 2 335.382 3.468 20 30 EGEDLO COC1(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCCCC1 ZINC000361494159 457753230 /nfs/dbraw/zinc/75/32/30/457753230.db2.gz XLZCSMJXQKPWEN-IBGZPJMESA-N 1 2 327.472 3.046 20 30 EGEDLO COC1(C[N@H+]2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCCCC1 ZINC000361494159 457753232 /nfs/dbraw/zinc/75/32/32/457753232.db2.gz XLZCSMJXQKPWEN-IBGZPJMESA-N 1 2 327.472 3.046 20 30 EGEDLO Cc1c[nH]c(-c2ccccc2NC(=O)C#Cc2ccc3c(c2)OCO3)[nH+]1 ZINC000371254612 457840760 /nfs/dbraw/zinc/84/07/60/457840760.db2.gz XUHKJWQIUOQQNA-UHFFFAOYSA-N 1 2 345.358 3.104 20 30 EGEDLO C=CCOCCCC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000361821918 457886243 /nfs/dbraw/zinc/88/62/43/457886243.db2.gz YTLTUKJFJIPJCX-MRXNPFEDSA-N 1 2 332.444 3.001 20 30 EGEDLO Cc1ccc2c(c1)CC[N@@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)C2 ZINC000361842271 457900887 /nfs/dbraw/zinc/90/08/87/457900887.db2.gz KGAMPOOYWFAVGN-UHFFFAOYSA-N 1 2 330.391 3.475 20 30 EGEDLO CC1(C)CCC[N@H+](CCCCN2C(=O)c3ccccc3C2=O)[C@H]1C#N ZINC000444724360 457956298 /nfs/dbraw/zinc/95/62/98/457956298.db2.gz CWPCOOLJEVRLOH-KRWDZBQOSA-N 1 2 339.439 3.077 20 30 EGEDLO CC1(C)CCC[N@@H+](CCCCN2C(=O)c3ccccc3C2=O)[C@H]1C#N ZINC000444724360 457956304 /nfs/dbraw/zinc/95/63/04/457956304.db2.gz CWPCOOLJEVRLOH-KRWDZBQOSA-N 1 2 339.439 3.077 20 30 EGEDLO C=CC[N@@H+](CCOC)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000362046068 458024650 /nfs/dbraw/zinc/02/46/50/458024650.db2.gz GDEVHSFRROJMRS-UHFFFAOYSA-N 1 2 349.862 3.030 20 30 EGEDLO C=CC[N@H+](CCOC)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000362046068 458024655 /nfs/dbraw/zinc/02/46/55/458024655.db2.gz GDEVHSFRROJMRS-UHFFFAOYSA-N 1 2 349.862 3.030 20 30 EGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411978611 458031240 /nfs/dbraw/zinc/03/12/40/458031240.db2.gz HHVHOOWXXPRJDN-HXUWFJFHSA-N 1 2 336.366 3.307 20 30 EGEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411978611 458031245 /nfs/dbraw/zinc/03/12/45/458031245.db2.gz HHVHOOWXXPRJDN-HXUWFJFHSA-N 1 2 336.366 3.307 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCc2ncsc2C1 ZINC000445862090 458103767 /nfs/dbraw/zinc/10/37/67/458103767.db2.gz FPRAKNKHJSGPSX-ZDUSSCGKSA-N 1 2 347.509 3.166 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCc2ncsc2C1 ZINC000445862090 458103772 /nfs/dbraw/zinc/10/37/72/458103772.db2.gz FPRAKNKHJSGPSX-ZDUSSCGKSA-N 1 2 347.509 3.166 20 30 EGEDLO CCCN1CC[N@H+](Cc2cccc(OCCCC#N)c2)C(C)(C)C1=O ZINC000428424697 458139016 /nfs/dbraw/zinc/13/90/16/458139016.db2.gz BPUFNYHVYPBJGW-UHFFFAOYSA-N 1 2 343.471 3.202 20 30 EGEDLO CCCN1CC[N@@H+](Cc2cccc(OCCCC#N)c2)C(C)(C)C1=O ZINC000428424697 458139024 /nfs/dbraw/zinc/13/90/24/458139024.db2.gz BPUFNYHVYPBJGW-UHFFFAOYSA-N 1 2 343.471 3.202 20 30 EGEDLO CC(=O)Oc1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000372344188 458283137 /nfs/dbraw/zinc/28/31/37/458283137.db2.gz FZEDKGHCDMUIJX-FQEVSTJZSA-N 1 2 336.391 3.057 20 30 EGEDLO CC(=O)Oc1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000372344188 458283145 /nfs/dbraw/zinc/28/31/45/458283145.db2.gz FZEDKGHCDMUIJX-FQEVSTJZSA-N 1 2 336.391 3.057 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000362591832 458287215 /nfs/dbraw/zinc/28/72/15/458287215.db2.gz RLBRXJNERJAALL-KBMXLJTQSA-N 1 2 349.500 3.295 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000362591832 458287221 /nfs/dbraw/zinc/28/72/21/458287221.db2.gz RLBRXJNERJAALL-KBMXLJTQSA-N 1 2 349.500 3.295 20 30 EGEDLO Cc1cn2c([nH+]1)[C@@H](CNc1nc3cc(Cl)ccn3c1C#N)CCC2 ZINC000376401812 458290947 /nfs/dbraw/zinc/29/09/47/458290947.db2.gz DETJFEAGBRHYLB-GFCCVEGCSA-N 1 2 340.818 3.354 20 30 EGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000413556218 458302759 /nfs/dbraw/zinc/30/27/59/458302759.db2.gz ZMFLSAZBSRWLNY-QZTJIDSGSA-N 1 2 338.455 3.358 20 30 EGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000413830809 458308288 /nfs/dbraw/zinc/30/82/88/458308288.db2.gz YJRQASRTQGJXEO-ZWKOTPCHSA-N 1 2 338.455 3.486 20 30 EGEDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@H+]1CC#Cc1ccc(F)cc1 ZINC000429354506 458321130 /nfs/dbraw/zinc/32/11/30/458321130.db2.gz OBMSGIMXBWALQQ-IYBDPMFKSA-N 1 2 330.447 3.145 20 30 EGEDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000429354506 458321131 /nfs/dbraw/zinc/32/11/31/458321131.db2.gz OBMSGIMXBWALQQ-IYBDPMFKSA-N 1 2 330.447 3.145 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000372809366 458333518 /nfs/dbraw/zinc/33/35/18/458333518.db2.gz YJSCAYRSFGEMMZ-MRXNPFEDSA-N 1 2 340.427 3.117 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000372809366 458333520 /nfs/dbraw/zinc/33/35/20/458333520.db2.gz YJSCAYRSFGEMMZ-MRXNPFEDSA-N 1 2 340.427 3.117 20 30 EGEDLO C=CCOc1ccccc1CNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420789769 458401617 /nfs/dbraw/zinc/40/16/17/458401617.db2.gz MSFOZRQECIHSQO-UHFFFAOYSA-N 1 2 325.412 3.263 20 30 EGEDLO C[C@H]1CCC[C@@]1(C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000448577591 458402260 /nfs/dbraw/zinc/40/22/60/458402260.db2.gz JZDHEFUOIFCYQS-OXJNMPFZSA-N 1 2 325.456 3.029 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3c(C)noc3C)CC2)CCCCC1 ZINC000448707284 458406642 /nfs/dbraw/zinc/40/66/42/458406642.db2.gz JNUDWRFTNHSSBA-UHFFFAOYSA-N 1 2 345.487 3.462 20 30 EGEDLO C=CCC[C@@H]([NH2+]Cc1c[nH]nc1-c1c(F)cccc1F)C(=O)OCC ZINC000449658561 458428831 /nfs/dbraw/zinc/42/88/31/458428831.db2.gz TVUXUYGTUMNXOJ-OAHLLOKOSA-N 1 2 349.381 3.342 20 30 EGEDLO COc1ccc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)c(C)c1OC ZINC000459616862 458429334 /nfs/dbraw/zinc/42/93/34/458429334.db2.gz QNBLGWBDNBRAOU-UHFFFAOYSA-N 1 2 338.407 3.147 20 30 EGEDLO C=CC[N@H+](CC1CCC(=O)CC1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000450809945 458457340 /nfs/dbraw/zinc/45/73/40/458457340.db2.gz LJRGGBQBONHNAK-HXUWFJFHSA-N 1 2 343.467 3.408 20 30 EGEDLO C=CC[N@@H+](CC1CCC(=O)CC1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000450809945 458457344 /nfs/dbraw/zinc/45/73/44/458457344.db2.gz LJRGGBQBONHNAK-HXUWFJFHSA-N 1 2 343.467 3.408 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000437620528 458475688 /nfs/dbraw/zinc/47/56/88/458475688.db2.gz AYHDQSQKXSNRBU-MJGOQNOKSA-N 1 2 345.487 3.183 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000437620528 458475693 /nfs/dbraw/zinc/47/56/93/458475693.db2.gz AYHDQSQKXSNRBU-MJGOQNOKSA-N 1 2 345.487 3.183 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000451876453 458489026 /nfs/dbraw/zinc/48/90/26/458489026.db2.gz FLRLSDCVZWZDMW-GOSISDBHSA-N 1 2 338.455 3.291 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000451876453 458489033 /nfs/dbraw/zinc/48/90/33/458489033.db2.gz FLRLSDCVZWZDMW-GOSISDBHSA-N 1 2 338.455 3.291 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000373450141 458495354 /nfs/dbraw/zinc/49/53/54/458495354.db2.gz ZEFCZKRBBNRYHR-KRWDZBQOSA-N 1 2 331.847 3.189 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000373450141 458495358 /nfs/dbraw/zinc/49/53/58/458495358.db2.gz ZEFCZKRBBNRYHR-KRWDZBQOSA-N 1 2 331.847 3.189 20 30 EGEDLO CC1(C)CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000468860182 458541210 /nfs/dbraw/zinc/54/12/10/458541210.db2.gz GBHQKRJMNDVIAS-IBGZPJMESA-N 1 2 339.483 3.419 20 30 EGEDLO C=CCOc1ccc(CNC(=O)N[C@@H](C)c2[nH+]ccn2CC)cc1 ZINC000455039293 458583152 /nfs/dbraw/zinc/58/31/52/458583152.db2.gz GTVISCOVBLYKNU-AWEZNQCLSA-N 1 2 328.416 3.028 20 30 EGEDLO N#C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1c(Cl)cccc1Cl ZINC000455538867 458603743 /nfs/dbraw/zinc/60/37/43/458603743.db2.gz HZQRISOPHVKUKK-ZWNOBZJWSA-N 1 2 349.221 3.133 20 30 EGEDLO C[C@H](CC(C)(C)C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000455621002 458604184 /nfs/dbraw/zinc/60/41/84/458604184.db2.gz HIMACOPRTKAZNK-MRXNPFEDSA-N 1 2 342.487 3.210 20 30 EGEDLO N#C[C@H]1N(Cc2cn3cc(Cl)ccc3[nH+]2)CCC[C@@]12CCCCO2 ZINC000373835866 458619479 /nfs/dbraw/zinc/61/94/79/458619479.db2.gz IZNUYTMRGVIALW-AEFFLSMTSA-N 1 2 344.846 3.415 20 30 EGEDLO C[C@]([NH2+]Cc1ccc(C#N)cc1Cl)(C(N)=O)c1cccc(Cl)c1 ZINC000439433232 458701914 /nfs/dbraw/zinc/70/19/14/458701914.db2.gz YYFRYKIGBIEEQN-QGZVFWFLSA-N 1 2 348.233 3.355 20 30 EGEDLO CCCCN(CC)C(=O)C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000464820263 458779159 /nfs/dbraw/zinc/77/91/59/458779159.db2.gz VTNCCNDXPOSALF-MOPGFXCFSA-N 1 2 327.472 3.407 20 30 EGEDLO CCCCN(CC)C(=O)C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000464820263 458779164 /nfs/dbraw/zinc/77/91/64/458779164.db2.gz VTNCCNDXPOSALF-MOPGFXCFSA-N 1 2 327.472 3.407 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)Nc1ccc(C)c(C)c1)Cc1ccc(CO)o1 ZINC000512171578 458783139 /nfs/dbraw/zinc/78/31/39/458783139.db2.gz XLNAJDFJEJKIRO-UHFFFAOYSA-N 1 2 342.439 3.406 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccc(C)c(C)c1)Cc1ccc(CO)o1 ZINC000512171578 458783143 /nfs/dbraw/zinc/78/31/43/458783143.db2.gz XLNAJDFJEJKIRO-UHFFFAOYSA-N 1 2 342.439 3.406 20 30 EGEDLO CC[N@H+](CC#Cc1cccc(Cl)c1)CC(=O)N1CCCCCC1 ZINC000513224358 458792886 /nfs/dbraw/zinc/79/28/86/458792886.db2.gz UJYNIAQHTLJBCF-UHFFFAOYSA-N 1 2 332.875 3.416 20 30 EGEDLO CC[N@@H+](CC#Cc1cccc(Cl)c1)CC(=O)N1CCCCCC1 ZINC000513224358 458792889 /nfs/dbraw/zinc/79/28/89/458792889.db2.gz UJYNIAQHTLJBCF-UHFFFAOYSA-N 1 2 332.875 3.416 20 30 EGEDLO Cc1nc(N2CC[NH+](Cc3ccsc3)CC2)c(Cl)cc1C#N ZINC000517269547 458827235 /nfs/dbraw/zinc/82/72/35/458827235.db2.gz JBPNWEIPEFWVBZ-UHFFFAOYSA-N 1 2 332.860 3.299 20 30 EGEDLO CCC1CCC([NH2+]CCOc2ccccc2C#N)(C(=O)OC)CC1 ZINC000440913159 458864838 /nfs/dbraw/zinc/86/48/38/458864838.db2.gz FGBVOZNOIPUVLS-UHFFFAOYSA-N 1 2 330.428 3.039 20 30 EGEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000441173700 458895545 /nfs/dbraw/zinc/89/55/45/458895545.db2.gz VIEIHFFURIJORP-MRXNPFEDSA-N 1 2 332.875 3.318 20 30 EGEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000441173700 458895550 /nfs/dbraw/zinc/89/55/50/458895550.db2.gz VIEIHFFURIJORP-MRXNPFEDSA-N 1 2 332.875 3.318 20 30 EGEDLO C=CC[C@@H](CC)NC(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000466384680 458896995 /nfs/dbraw/zinc/89/69/95/458896995.db2.gz YVMHEECPXVCVBJ-MRXNPFEDSA-N 1 2 349.450 3.016 20 30 EGEDLO Cc1noc([C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C2CCOCC2)n1 ZINC000556714244 458993533 /nfs/dbraw/zinc/99/35/33/458993533.db2.gz WCHDRVYGBXHHDD-KRWDZBQOSA-N 1 2 345.830 3.140 20 30 EGEDLO Cc1noc([C@H]([NH2+]CC#Cc2cccc(Cl)c2)C2CCOCC2)n1 ZINC000556714245 458993668 /nfs/dbraw/zinc/99/36/68/458993668.db2.gz WCHDRVYGBXHHDD-QGZVFWFLSA-N 1 2 345.830 3.140 20 30 EGEDLO C[NH+](C)[C@@H](C(=O)Nc1cc(CC#N)ccn1)c1cccc(Cl)c1 ZINC000532179652 459042258 /nfs/dbraw/zinc/04/22/58/459042258.db2.gz BWMYOENERLUNEN-MRXNPFEDSA-N 1 2 328.803 3.042 20 30 EGEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000590001796 459064946 /nfs/dbraw/zinc/06/49/46/459064946.db2.gz XEIUJWRGFQJVOV-LBPRGKRZSA-N 1 2 329.227 3.135 20 30 EGEDLO C=CC[N@H+](CCC#N)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000590001796 459064956 /nfs/dbraw/zinc/06/49/56/459064956.db2.gz XEIUJWRGFQJVOV-LBPRGKRZSA-N 1 2 329.227 3.135 20 30 EGEDLO COc1cc(CNc2[nH+]c3c(cccc3Cl)n2C)ccc1C#N ZINC000443058764 459080041 /nfs/dbraw/zinc/08/00/41/459080041.db2.gz LITAZBZDGMJXIJ-UHFFFAOYSA-N 1 2 326.787 3.141 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C1 ZINC000594660881 459123258 /nfs/dbraw/zinc/12/32/58/459123258.db2.gz SGPXMNHXDLHJTA-BEFAXECRSA-N 1 2 347.418 3.097 20 30 EGEDLO N#CC[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C1 ZINC000594660881 459123264 /nfs/dbraw/zinc/12/32/64/459123264.db2.gz SGPXMNHXDLHJTA-BEFAXECRSA-N 1 2 347.418 3.097 20 30 EGEDLO N#Cc1c(F)cccc1N1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000532985189 459169792 /nfs/dbraw/zinc/16/97/92/459169792.db2.gz APKARQACGGTLRW-UHFFFAOYSA-N 1 2 337.373 3.010 20 30 EGEDLO C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CCn2cc[nH+]c2C1 ZINC000558628389 459183669 /nfs/dbraw/zinc/18/36/69/459183669.db2.gz QLQVEKFDNCSBLC-UHFFFAOYSA-N 1 2 340.456 3.108 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000579424267 459246596 /nfs/dbraw/zinc/24/65/96/459246596.db2.gz ABZURNDXUSPUHX-MRXNPFEDSA-N 1 2 348.859 3.037 20 30 EGEDLO CC(C)[C@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000481481703 459256911 /nfs/dbraw/zinc/25/69/11/459256911.db2.gz GZEWVWNOGDHMGC-MRXNPFEDSA-N 1 2 327.346 3.294 20 30 EGEDLO CC(C)[C@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000481481703 459256915 /nfs/dbraw/zinc/25/69/15/459256915.db2.gz GZEWVWNOGDHMGC-MRXNPFEDSA-N 1 2 327.346 3.294 20 30 EGEDLO Cc1c[nH+]c(N2CCC(CC#N)CC2)nc1N1CCC(CC#N)CC1 ZINC000580884792 459265706 /nfs/dbraw/zinc/26/57/06/459265706.db2.gz KDQDVKOCVIPNMT-UHFFFAOYSA-N 1 2 338.459 3.045 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000568633191 459319713 /nfs/dbraw/zinc/31/97/13/459319713.db2.gz CRQWFSNYKWXAMB-WWGRRREGSA-N 1 2 340.254 3.057 20 30 EGEDLO Cc1ccc2[nH+]c(COc3cccc(C(=O)NC(C)(C)C#N)c3)cn2c1 ZINC000540969761 459412448 /nfs/dbraw/zinc/41/24/48/459412448.db2.gz YSRSQMTVWLZQNX-UHFFFAOYSA-N 1 2 348.406 3.254 20 30 EGEDLO CC1(C)Cc2ccsc2C[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000582950295 459457193 /nfs/dbraw/zinc/45/71/93/459457193.db2.gz WOULUGZHLVSBCM-UHFFFAOYSA-N 1 2 331.466 3.457 20 30 EGEDLO CC1(C)Cc2ccsc2C[N@H+]1CC(=O)Nc1sccc1C#N ZINC000582950295 459457195 /nfs/dbraw/zinc/45/71/95/459457195.db2.gz WOULUGZHLVSBCM-UHFFFAOYSA-N 1 2 331.466 3.457 20 30 EGEDLO CC[C@@H](C(=O)Nc1ccc(Cl)cc1CC#N)[N@@H+]1CCO[C@@H](CC)C1 ZINC000583094907 459482872 /nfs/dbraw/zinc/48/28/72/459482872.db2.gz YJBVCLUYXOOKHH-RDJZCZTQSA-N 1 2 349.862 3.234 20 30 EGEDLO CC[C@@H](C(=O)Nc1ccc(Cl)cc1CC#N)[N@H+]1CCO[C@@H](CC)C1 ZINC000583094907 459482877 /nfs/dbraw/zinc/48/28/77/459482877.db2.gz YJBVCLUYXOOKHH-RDJZCZTQSA-N 1 2 349.862 3.234 20 30 EGEDLO Cc1nsc(N2CC[NH+](CCc3ccccc3Cl)CC2)c1C#N ZINC000562052636 459507265 /nfs/dbraw/zinc/50/72/65/459507265.db2.gz NMOFXZFMJPZANK-UHFFFAOYSA-N 1 2 346.887 3.341 20 30 EGEDLO N#Cc1cc(C[NH+]2CCN(c3c(F)cccc3F)CC2)ccc1F ZINC000592132947 459531885 /nfs/dbraw/zinc/53/18/85/459531885.db2.gz QBWCWCPZWRDZDS-UHFFFAOYSA-N 1 2 331.341 3.298 20 30 EGEDLO Cc1nc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)ccc1C#N ZINC000487938531 459536055 /nfs/dbraw/zinc/53/60/55/459536055.db2.gz JFXCKQZVYWCJAX-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)c(C)c3)CC2)cc1 ZINC000488178194 459541293 /nfs/dbraw/zinc/54/12/93/459541293.db2.gz GNYLAAABUMPTBV-UHFFFAOYSA-N 1 2 333.435 3.133 20 30 EGEDLO C=CCn1cccc1C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000488843475 459554362 /nfs/dbraw/zinc/55/43/62/459554362.db2.gz MMHAYTSRQDMFDE-MRXNPFEDSA-N 1 2 341.430 3.332 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000570864126 459561524 /nfs/dbraw/zinc/56/15/24/459561524.db2.gz ONQGFOMAUBZKKD-UXHICEINSA-N 1 2 335.451 3.368 20 30 EGEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000490649582 459582885 /nfs/dbraw/zinc/58/28/85/459582885.db2.gz IFIZKKTWIVQQDT-CQSZACIVSA-N 1 2 336.370 3.467 20 30 EGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000490649582 459582892 /nfs/dbraw/zinc/58/28/92/459582892.db2.gz IFIZKKTWIVQQDT-CQSZACIVSA-N 1 2 336.370 3.467 20 30 EGEDLO Cc1c[nH+]c(N2CCC[C@H](CC#N)C2)nc1N1CCC[C@H](CC#N)C1 ZINC000596330595 459598033 /nfs/dbraw/zinc/59/80/33/459598033.db2.gz UIQSTQVMSHZELX-IAGOWNOFSA-N 1 2 338.459 3.045 20 30 EGEDLO Cc1c(C#N)c(NCc2ccc[nH+]c2N2CCCC2)nc2ccccc12 ZINC000596355539 459606946 /nfs/dbraw/zinc/60/69/46/459606946.db2.gz DWIAHEVTUBBATD-UHFFFAOYSA-N 1 2 343.434 3.444 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@@H]2CCc3ccc(Cl)cc32)n1 ZINC000491284889 459612284 /nfs/dbraw/zinc/61/22/84/459612284.db2.gz ANJOBPXONLGASP-LJQANCHMSA-N 1 2 343.858 3.306 20 30 EGEDLO C#CCn1ccc(C[N@H+](CCOC)[C@@H]2CCc3ccc(Cl)cc32)n1 ZINC000491284889 459612290 /nfs/dbraw/zinc/61/22/90/459612290.db2.gz ANJOBPXONLGASP-LJQANCHMSA-N 1 2 343.858 3.306 20 30 EGEDLO C#C[C@@H](CC)[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000491348686 459618925 /nfs/dbraw/zinc/61/89/25/459618925.db2.gz DXDSRLBEFWMZNB-AWEZNQCLSA-N 1 2 331.416 3.468 20 30 EGEDLO C=CCN(CC(F)(F)F)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000491506167 459632589 /nfs/dbraw/zinc/63/25/89/459632589.db2.gz NEVXZAJNTREALK-VMPITWQZSA-N 1 2 335.329 3.462 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CCSC[C@H]2C2CCC2)c(C#N)c1C ZINC000584043582 459640862 /nfs/dbraw/zinc/64/08/62/459640862.db2.gz RANDGRBOTCLDPQ-HNNXBMFYSA-N 1 2 349.525 3.393 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CCSC[C@H]2C2CCC2)c(C#N)c1C ZINC000584043582 459640866 /nfs/dbraw/zinc/64/08/66/459640866.db2.gz RANDGRBOTCLDPQ-HNNXBMFYSA-N 1 2 349.525 3.393 20 30 EGEDLO C#C[C@H]([NH2+]Cc1cnnn1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000491627554 459642451 /nfs/dbraw/zinc/64/24/51/459642451.db2.gz MLMQMDBVVZFRCG-IBGZPJMESA-N 1 2 336.826 3.444 20 30 EGEDLO C#C[C@@H](NC(=O)NCc1cn2ccccc2[nH+]1)c1ccc(Cl)cc1 ZINC000491694983 459655656 /nfs/dbraw/zinc/65/56/56/459655656.db2.gz WQAUTADOLOTSLZ-MRXNPFEDSA-N 1 2 338.798 3.161 20 30 EGEDLO C#C[C@@H](NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1ccc(F)cc1 ZINC000491818433 459679762 /nfs/dbraw/zinc/67/97/62/459679762.db2.gz YUOIXZQBSQKBQZ-GOEBONIOSA-N 1 2 339.414 3.268 20 30 EGEDLO C#C[C@@H](NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1ccc(F)cc1 ZINC000491818433 459679767 /nfs/dbraw/zinc/67/97/67/459679767.db2.gz YUOIXZQBSQKBQZ-GOEBONIOSA-N 1 2 339.414 3.268 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000596732824 459744017 /nfs/dbraw/zinc/74/40/17/459744017.db2.gz OSEJTIJAYZHOIQ-LBPRGKRZSA-N 1 2 329.429 3.468 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000596732824 459744023 /nfs/dbraw/zinc/74/40/23/459744023.db2.gz OSEJTIJAYZHOIQ-LBPRGKRZSA-N 1 2 329.429 3.468 20 30 EGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000596737498 459746773 /nfs/dbraw/zinc/74/67/73/459746773.db2.gz ZYCAPYMXZRVZTQ-LBPRGKRZSA-N 1 2 329.429 3.325 20 30 EGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000596737498 459746775 /nfs/dbraw/zinc/74/67/75/459746775.db2.gz ZYCAPYMXZRVZTQ-LBPRGKRZSA-N 1 2 329.429 3.325 20 30 EGEDLO C[C@H](CO)C1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000593084527 459768496 /nfs/dbraw/zinc/76/84/96/459768496.db2.gz RFJPUFJUSLZFSK-GFCCVEGCSA-N 1 2 337.261 3.161 20 30 EGEDLO Cc1nsc(N2CC[NH+](C/C=C\c3ccc(F)cc3)CC2)c1C#N ZINC000566002940 459791290 /nfs/dbraw/zinc/79/12/90/459791290.db2.gz MHPLACZSOOZNMW-IHWYPQMZSA-N 1 2 342.443 3.298 20 30 EGEDLO CC(C)C[N@H+](Cc1coc(S(C)(=O)=O)c1)Cc1ccc(C#N)cc1 ZINC000528363870 459804234 /nfs/dbraw/zinc/80/42/34/459804234.db2.gz KVYGMQUUURCZMU-UHFFFAOYSA-N 1 2 346.452 3.213 20 30 EGEDLO CC(C)C[N@@H+](Cc1coc(S(C)(=O)=O)c1)Cc1ccc(C#N)cc1 ZINC000528363870 459804238 /nfs/dbraw/zinc/80/42/38/459804238.db2.gz KVYGMQUUURCZMU-UHFFFAOYSA-N 1 2 346.452 3.213 20 30 EGEDLO COc1cc(CNc2cc(CC#N)cc[nH+]2)c(Br)cc1O ZINC000545221136 459811978 /nfs/dbraw/zinc/81/19/78/459811978.db2.gz YUTXSAMOOAKXLA-UHFFFAOYSA-N 1 2 348.200 3.236 20 30 EGEDLO CC(C)Oc1cccc([C@@H]([NH2+]C2CCN(CC#N)CC2)C(F)F)c1 ZINC000585725250 459837498 /nfs/dbraw/zinc/83/74/98/459837498.db2.gz KNAABFQRYBQMQA-QGZVFWFLSA-N 1 2 337.414 3.358 20 30 EGEDLO N#Cc1sccc1N1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000597182472 459866344 /nfs/dbraw/zinc/86/63/44/459866344.db2.gz BQGVZMRYOZFZLC-UHFFFAOYSA-N 1 2 330.482 3.276 20 30 EGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000597182774 459866483 /nfs/dbraw/zinc/86/64/83/459866483.db2.gz OAYZSMWWYUTGLK-WZRBSPASSA-N 1 2 349.221 3.211 20 30 EGEDLO Cc1[nH]c2ccc(NC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)cc2[nH+]1 ZINC000609101682 459905532 /nfs/dbraw/zinc/90/55/32/459905532.db2.gz XKFZETACLQJVLW-IBGZPJMESA-N 1 2 345.406 3.351 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000609800786 460021447 /nfs/dbraw/zinc/02/14/47/460021447.db2.gz SZHBCRPFESSIIV-HHXXYDBFSA-N 1 2 345.512 3.219 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000609800786 460021452 /nfs/dbraw/zinc/02/14/52/460021452.db2.gz SZHBCRPFESSIIV-HHXXYDBFSA-N 1 2 345.512 3.219 20 30 EGEDLO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602633455 460034480 /nfs/dbraw/zinc/03/44/80/460034480.db2.gz MCQJAWCZFZFLKC-OAQYLSRUSA-N 1 2 349.434 3.094 20 30 EGEDLO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602633455 460034487 /nfs/dbraw/zinc/03/44/87/460034487.db2.gz MCQJAWCZFZFLKC-OAQYLSRUSA-N 1 2 349.434 3.094 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000594008987 460053907 /nfs/dbraw/zinc/05/39/07/460053907.db2.gz SQNKXVBYQWYSHR-AWEZNQCLSA-N 1 2 343.427 3.339 20 30 EGEDLO Cc1cnn([C@H]2CC[N@H+](Cc3c(C#N)c(C)nn3-c3ccccc3)C2)c1 ZINC000589309484 460069728 /nfs/dbraw/zinc/06/97/28/460069728.db2.gz IYDKOONHUHXODP-SFHVURJKSA-N 1 2 346.438 3.004 20 30 EGEDLO Cc1cnn([C@H]2CC[N@@H+](Cc3c(C#N)c(C)nn3-c3ccccc3)C2)c1 ZINC000589309484 460069733 /nfs/dbraw/zinc/06/97/33/460069733.db2.gz IYDKOONHUHXODP-SFHVURJKSA-N 1 2 346.438 3.004 20 30 EGEDLO Cc1ccc(-c2ccc(C)c(NC[C@H](O)C[N@H+](C)CCC#N)c2)o1 ZINC000576151482 460080607 /nfs/dbraw/zinc/08/06/07/460080607.db2.gz YAEWMEGIWHXKGI-KRWDZBQOSA-N 1 2 327.428 3.182 20 30 EGEDLO Cc1ccc(-c2ccc(C)c(NC[C@H](O)C[N@@H+](C)CCC#N)c2)o1 ZINC000576151482 460080611 /nfs/dbraw/zinc/08/06/11/460080611.db2.gz YAEWMEGIWHXKGI-KRWDZBQOSA-N 1 2 327.428 3.182 20 30 EGEDLO Cc1csc(NC(=O)NCC[NH+]2Cc3ccccc3C2)c1C#N ZINC000594109829 460104411 /nfs/dbraw/zinc/10/44/11/460104411.db2.gz LUJCFTMQAWTWGI-UHFFFAOYSA-N 1 2 326.425 3.066 20 30 EGEDLO N#Cc1ccncc1N1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000576288467 460108992 /nfs/dbraw/zinc/10/89/92/460108992.db2.gz ONUNCVDXBBDZQE-UHFFFAOYSA-N 1 2 349.825 3.481 20 30 EGEDLO C[C@H](NC(=O)NCc1ccc(N2CCCC2)[nH+]c1)c1cccc(C#N)c1 ZINC000610347795 460128571 /nfs/dbraw/zinc/12/85/71/460128571.db2.gz YBZNKNZHOXIDKL-HNNXBMFYSA-N 1 2 349.438 3.114 20 30 EGEDLO CC(C)(NC(=O)c1cn(CCCC#N)c2ccccc12)c1[nH]cc[nH+]1 ZINC000576472923 460148743 /nfs/dbraw/zinc/14/87/43/460148743.db2.gz LCHSRHSIAWLMSO-UHFFFAOYSA-N 1 2 335.411 3.333 20 30 EGEDLO Cc1ccc(CCC2CCN(C(=O)C[NH2+][C@H](C)CC#N)CC2)cc1 ZINC000602867995 460165648 /nfs/dbraw/zinc/16/56/48/460165648.db2.gz GPRKDYKWJCNQMD-QGZVFWFLSA-N 1 2 327.472 3.058 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505564 460168804 /nfs/dbraw/zinc/16/88/04/460168804.db2.gz PPEDJKOUTJCILG-PBHICJAKSA-N 1 2 329.419 3.304 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505564 460168810 /nfs/dbraw/zinc/16/88/10/460168810.db2.gz PPEDJKOUTJCILG-PBHICJAKSA-N 1 2 329.419 3.304 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618784852 460172683 /nfs/dbraw/zinc/17/26/83/460172683.db2.gz FJAPSLNLJPNPJZ-KRWDZBQOSA-N 1 2 330.391 3.020 20 30 EGEDLO CC[C@H](CC#N)[NH2+]Cc1csc(-c2ccc(C(=O)OC)cc2)n1 ZINC000576715244 460200571 /nfs/dbraw/zinc/20/05/71/460200571.db2.gz KTYBSCDCEOENHM-CQSZACIVSA-N 1 2 329.425 3.379 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)Nc2cc(F)cc(C#N)c2)CC1(C)C ZINC000603072264 460235663 /nfs/dbraw/zinc/23/56/63/460235663.db2.gz NJSZVHPYAPRDHP-AWEZNQCLSA-N 1 2 327.363 3.046 20 30 EGEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000614924874 460247323 /nfs/dbraw/zinc/24/73/23/460247323.db2.gz OMHLMEUAFJSVQI-INIZCTEOSA-N 1 2 337.345 3.354 20 30 EGEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000614924874 460247328 /nfs/dbraw/zinc/24/73/28/460247328.db2.gz OMHLMEUAFJSVQI-INIZCTEOSA-N 1 2 337.345 3.354 20 30 EGEDLO N#Cc1cnn(-c2ccccc2)c1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000603273804 460275586 /nfs/dbraw/zinc/27/55/86/460275586.db2.gz XXHXKVBSQHPPSU-UHFFFAOYSA-N 1 2 344.422 3.351 20 30 EGEDLO N#CCCn1ncc2c1nc[nH+]c2NC12CC(c3ccccc3)(C1)C2 ZINC000603421194 460301919 /nfs/dbraw/zinc/30/19/19/460301919.db2.gz UROJYSQNOPRJPR-UHFFFAOYSA-N 1 2 330.395 3.026 20 30 EGEDLO CC(C)c1cc(N2CCN([C@@H](C#N)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000611412625 460359329 /nfs/dbraw/zinc/35/93/29/460359329.db2.gz DZPCNLXFTGYTRY-KRWDZBQOSA-N 1 2 329.492 3.394 20 30 EGEDLO Cc1ccc(C(=O)N2CC[C@@](F)(C#N)C2)cc1Oc1cc[nH+]cc1 ZINC000615664656 460369920 /nfs/dbraw/zinc/36/99/20/460369920.db2.gz OMSIKRGHNOUYML-GOSISDBHSA-N 1 2 325.343 3.260 20 30 EGEDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000611555325 460396911 /nfs/dbraw/zinc/39/69/11/460396911.db2.gz WWTAORNTHVMTMK-ONGXEEELSA-N 1 2 331.363 3.221 20 30 EGEDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1CC(=O)Nc1sccc1C#N ZINC000611555325 460396918 /nfs/dbraw/zinc/39/69/18/460396918.db2.gz WWTAORNTHVMTMK-ONGXEEELSA-N 1 2 331.363 3.221 20 30 EGEDLO Cc1[nH]c(CN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)[nH+]c1C ZINC000600156789 460412854 /nfs/dbraw/zinc/41/28/54/460412854.db2.gz VEPBMLCRNXEUIN-QGZVFWFLSA-N 1 2 343.862 3.062 20 30 EGEDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccnc(C#N)c2)CC1 ZINC000604560320 460448261 /nfs/dbraw/zinc/44/82/61/460448261.db2.gz OHVGIMWEAMPINF-CQSZACIVSA-N 1 2 349.463 3.446 20 30 EGEDLO C=CCCOCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000626274129 460458610 /nfs/dbraw/zinc/45/86/10/460458610.db2.gz XLDBNJOJXKMLLV-KRWDZBQOSA-N 1 2 336.863 3.013 20 30 EGEDLO C=CCCOCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000626274129 460458614 /nfs/dbraw/zinc/45/86/14/460458614.db2.gz XLDBNJOJXKMLLV-KRWDZBQOSA-N 1 2 336.863 3.013 20 30 EGEDLO Cc1cn2ccc(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)cc2[nH+]1 ZINC000602053382 461000721 /nfs/dbraw/zinc/00/07/21/461000721.db2.gz UZTCOVGBRIWPDN-UHFFFAOYSA-N 1 2 330.391 3.319 20 30 EGEDLO C=CCn1c(SCc2cn(C)c[nH+]2)nc2sc(C)c(C)c2c1=O ZINC000641412628 461241917 /nfs/dbraw/zinc/24/19/17/461241917.db2.gz QWZUETBEXVCIKX-UHFFFAOYSA-N 1 2 346.481 3.287 20 30 EGEDLO CCCC(=O)c1ncccc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000663336019 461565236 /nfs/dbraw/zinc/56/52/36/461565236.db2.gz YMGPZHNEBIRYMB-UHFFFAOYSA-N 1 2 348.450 3.258 20 30 EGEDLO C=CCCn1cc(C[N@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)nn1 ZINC000653587053 461743204 /nfs/dbraw/zinc/74/32/04/461743204.db2.gz NREXPMCQEUFKLT-SFHVURJKSA-N 1 2 342.418 3.231 20 30 EGEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)nn1 ZINC000653587053 461743212 /nfs/dbraw/zinc/74/32/12/461743212.db2.gz NREXPMCQEUFKLT-SFHVURJKSA-N 1 2 342.418 3.231 20 30 EGEDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c(C)n1-c1nccs1 ZINC000661150592 462124442 /nfs/dbraw/zinc/12/44/42/462124442.db2.gz PBUYTZCOWUNZGO-OAHLLOKOSA-N 1 2 342.468 3.359 20 30 EGEDLO Cc1cc(C(=O)C[N@H+]2CCC[C@H](CC#N)C2)c(C)n1-c1nccs1 ZINC000661150592 462124448 /nfs/dbraw/zinc/12/44/48/462124448.db2.gz PBUYTZCOWUNZGO-OAHLLOKOSA-N 1 2 342.468 3.359 20 30 EGEDLO C=CC[C@H]1CCC[N@@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000661380680 462225190 /nfs/dbraw/zinc/22/51/90/462225190.db2.gz IKSZMDPJQXGHGK-WFASDCNBSA-N 1 2 337.261 3.264 20 30 EGEDLO C=CC[C@H]1CCC[N@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000661380680 462225199 /nfs/dbraw/zinc/22/51/99/462225199.db2.gz IKSZMDPJQXGHGK-WFASDCNBSA-N 1 2 337.261 3.264 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3ncc(C)o3)C2)CCCC1 ZINC000649192079 462434706 /nfs/dbraw/zinc/43/47/06/462434706.db2.gz XKUIVQJTQHSILZ-INIZCTEOSA-N 1 2 331.460 3.152 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3ncc(C)o3)C2)CCCC1 ZINC000649192079 462434712 /nfs/dbraw/zinc/43/47/12/462434712.db2.gz XKUIVQJTQHSILZ-INIZCTEOSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1noc(-c2c(F)cccc2Cl)n1 ZINC000645925269 462470391 /nfs/dbraw/zinc/47/03/91/462470391.db2.gz GWWYXBUQFJLOAT-OLZOCXBDSA-N 1 2 337.782 3.352 20 30 EGEDLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)s1 ZINC000183975154 534537916 /nfs/dbraw/zinc/53/79/16/534537916.db2.gz KUVDZFNQYRCGBA-UHFFFAOYSA-N 1 2 348.497 3.465 20 30 EGEDLO C#CCCSc1nnc(C[NH+]2CCCCC2)n1Cc1ccccc1 ZINC000178159727 526752175 /nfs/dbraw/zinc/75/21/75/526752175.db2.gz DPPIAFAWEJMAIZ-UHFFFAOYSA-N 1 2 340.496 3.428 20 30 EGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(C#N)s1 ZINC000179557673 527789415 /nfs/dbraw/zinc/78/94/15/527789415.db2.gz BWSAMWYBPTYRFY-QGZVFWFLSA-N 1 2 328.437 3.226 20 30 EGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000179557673 527789418 /nfs/dbraw/zinc/78/94/18/527789418.db2.gz BWSAMWYBPTYRFY-QGZVFWFLSA-N 1 2 328.437 3.226 20 30 EGEDLO C=CCNc1ncc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000136127786 546839833 /nfs/dbraw/zinc/83/98/33/546839833.db2.gz BFFXXIUPOZSGHH-UHFFFAOYSA-N 1 2 325.397 3.179 20 30 EGEDLO C=CCN(CC=C)C(=O)COc1cc(C)[nH+]c2ccc(OC)cc21 ZINC000192976945 547209172 /nfs/dbraw/zinc/20/91/72/547209172.db2.gz IKQBGUQNSPIWLR-UHFFFAOYSA-N 1 2 326.396 3.131 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1Cc2ccccc21)C1CCOCC1 ZINC000329073908 547489762 /nfs/dbraw/zinc/48/97/62/547489762.db2.gz BBNUSWVGCNLAPB-IAGOWNOFSA-N 1 2 325.412 3.184 20 30 EGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CCC[C@@H]3C#N)n2)C1 ZINC000329674954 547504965 /nfs/dbraw/zinc/50/49/65/547504965.db2.gz UFUSBKPUWGUJHI-UMVBOHGHSA-N 1 2 347.488 3.393 20 30 EGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CCC[C@@H]3C#N)n2)C1 ZINC000329674954 547504967 /nfs/dbraw/zinc/50/49/67/547504967.db2.gz UFUSBKPUWGUJHI-UMVBOHGHSA-N 1 2 347.488 3.393 20 30 EGEDLO C=CCc1cc(C(=O)Nc2cc(N(C)C)cc[nH+]2)cc(OC)c1OC ZINC000680257706 549840036 /nfs/dbraw/zinc/84/00/36/549840036.db2.gz IDOGNFIXAJBSMR-UHFFFAOYSA-N 1 2 341.411 3.146 20 30 EGEDLO C=CCOc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000729343284 574844155 /nfs/dbraw/zinc/84/41/55/574844155.db2.gz UAHIYJKQMRMPDS-KRWDZBQOSA-N 1 2 327.428 3.293 20 30 EGEDLO C=CCn1nnn(C[N@H+]2CCCC[C@H]2Cc2ccc(F)cc2)c1=S ZINC000729471528 574863527 /nfs/dbraw/zinc/86/35/27/574863527.db2.gz DCYULRNXVNEJAO-INIZCTEOSA-N 1 2 347.463 3.189 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2CCCC[C@H]2Cc2ccc(F)cc2)c1=S ZINC000729471528 574863529 /nfs/dbraw/zinc/86/35/29/574863529.db2.gz DCYULRNXVNEJAO-INIZCTEOSA-N 1 2 347.463 3.189 20 30 EGEDLO COc1cc(OC)c(OC)cc1C=NNc1cc[nH+]c2ccccc12 ZINC000730148382 574925924 /nfs/dbraw/zinc/92/59/24/574925924.db2.gz RYPBXOMPSGUPTF-UHFFFAOYSA-N 1 2 337.379 3.129 20 30 EGEDLO C#CCOc1cccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000731111469 575055099 /nfs/dbraw/zinc/05/50/99/575055099.db2.gz QODXJMMUFRETCA-KRWDZBQOSA-N 1 2 340.427 3.132 20 30 EGEDLO C=C(Br)C[N@@H+](CCC(=O)OC)Cc1ccc(F)c(F)c1 ZINC000732410638 575268135 /nfs/dbraw/zinc/26/81/35/575268135.db2.gz FWJBQRDEKRDQCM-UHFFFAOYSA-N 1 2 348.187 3.239 20 30 EGEDLO C=C(Br)C[N@H+](CCC(=O)OC)Cc1ccc(F)c(F)c1 ZINC000732410638 575268136 /nfs/dbraw/zinc/26/81/36/575268136.db2.gz FWJBQRDEKRDQCM-UHFFFAOYSA-N 1 2 348.187 3.239 20 30 EGEDLO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cn(-c3ccccc3)nn2)c1 ZINC000733800107 575397927 /nfs/dbraw/zinc/39/79/27/575397927.db2.gz HZIYXPUTSIKGKR-LJQANCHMSA-N 1 2 347.422 3.238 20 30 EGEDLO C#CCOc1ccccc1CNc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000734145363 575441789 /nfs/dbraw/zinc/44/17/89/575441789.db2.gz NXTXEGOHBJWTOQ-UHFFFAOYSA-N 1 2 344.418 3.147 20 30 EGEDLO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H](CO)c2c(F)cccc2F)cc1 ZINC000734847644 575560246 /nfs/dbraw/zinc/56/02/46/575560246.db2.gz RZEMLKXJGSVLBW-YVEFUNNKSA-N 1 2 332.350 3.079 20 30 EGEDLO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](CO)c2c(F)cccc2F)cc1 ZINC000734847641 575560270 /nfs/dbraw/zinc/56/02/70/575560270.db2.gz RZEMLKXJGSVLBW-PXAZEXFGSA-N 1 2 332.350 3.079 20 30 EGEDLO Cc1c(C(=O)/C=C/c2c[nH+]c3c(C)cccn23)c(C#N)c2n1CCC2 ZINC000741466685 576688414 /nfs/dbraw/zinc/68/84/14/576688414.db2.gz AWVYDEVDROLQFG-BQYQJAHWSA-N 1 2 330.391 3.467 20 30 EGEDLO C[NH+](C)c1ccc(N2CCC(/N=C\c3cccc(O)c3O)CC2)cc1 ZINC000741755119 576717637 /nfs/dbraw/zinc/71/76/37/576717637.db2.gz QKKCAHOFNGIDTN-STZFKDTASA-N 1 2 339.439 3.252 20 30 EGEDLO C/C(=C/C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000742481793 576786701 /nfs/dbraw/zinc/78/67/01/576786701.db2.gz BTLUFRPUHDIUQF-SSZFMOIBSA-N 1 2 325.456 3.195 20 30 EGEDLO Cc1cccc(C)c1NC(=O)[C@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000031083228 1291361469 /nfs/dbraw/zinc/36/14/69/1291361469.db2.gz HZPPITAGLHYEFX-ZDUSSCGKSA-N 1 2 329.375 3.107 20 30 EGEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000113249055 1293145837 /nfs/dbraw/zinc/14/58/37/1293145837.db2.gz JFGCTWJNIJIDKF-NSHDSACASA-N 1 2 347.802 3.013 20 30 EGEDLO C=CCC[C@@H](CO)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000834903345 1293171300 /nfs/dbraw/zinc/17/13/00/1293171300.db2.gz HTOWHUGSHFKZJT-KOLCDFICSA-N 1 2 332.213 3.272 20 30 EGEDLO NC(Cc1cccnc1)=[NH+]OCc1coc(-c2cccc(Cl)c2)n1 ZINC000137642200 1293831233 /nfs/dbraw/zinc/83/12/33/1293831233.db2.gz ZXHSXQROMNFZPQ-UHFFFAOYSA-N 1 2 342.786 3.422 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2CC[C@@H](C)[C@H]2C)c1=S ZINC000162210627 1294310497 /nfs/dbraw/zinc/31/04/97/1294310497.db2.gz VUZYTWJNDWFNBE-ZIAGYGMSSA-N 1 2 329.473 3.350 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2CC[C@@H](C)[C@H]2C)c1=S ZINC000162210627 1294310503 /nfs/dbraw/zinc/31/05/03/1294310503.db2.gz VUZYTWJNDWFNBE-ZIAGYGMSSA-N 1 2 329.473 3.350 20 30 EGEDLO C=C(C)C[N@H+](C)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC000182620837 1295062130 /nfs/dbraw/zinc/06/21/30/1295062130.db2.gz CEJATILGODXIIG-HXUWFJFHSA-N 1 2 337.423 3.072 20 30 EGEDLO C=C(C)C[N@@H+](C)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC000182620837 1295062143 /nfs/dbraw/zinc/06/21/43/1295062143.db2.gz CEJATILGODXIIG-HXUWFJFHSA-N 1 2 337.423 3.072 20 30 EGEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc(N2CCC(O)CC2)cc1 ZINC000255498524 1296538035 /nfs/dbraw/zinc/53/80/35/1296538035.db2.gz OQYITRGQCCMMGM-HJWRWDBZSA-N 1 2 347.418 3.192 20 30 EGEDLO Cc1ccccc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000586062007 1298047173 /nfs/dbraw/zinc/04/71/73/1298047173.db2.gz CIUBAYSVEBMGBW-LJQANCHMSA-N 1 2 333.435 3.261 20 30 EGEDLO Cc1ccccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000586062007 1298047183 /nfs/dbraw/zinc/04/71/83/1298047183.db2.gz CIUBAYSVEBMGBW-LJQANCHMSA-N 1 2 333.435 3.261 20 30 EGEDLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)NCC(C)(C)C#N)CC1 ZINC000875478741 1298356102 /nfs/dbraw/zinc/35/61/02/1298356102.db2.gz OUNQKJYNPMVJJK-KRWDZBQOSA-N 1 2 346.450 3.154 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2CC[C@@H](c3ccccc3)[C@H](CC)C2)c1=S ZINC000746383825 1298577123 /nfs/dbraw/zinc/57/71/23/1298577123.db2.gz VXPYGEFYBFCSDD-NVXWUHKLSA-N 1 2 343.500 3.468 20 30 EGEDLO C=CCn1nnn(C[N@H+]2CC[C@@H](c3ccccc3)[C@H](CC)C2)c1=S ZINC000746383825 1298577132 /nfs/dbraw/zinc/57/71/32/1298577132.db2.gz VXPYGEFYBFCSDD-NVXWUHKLSA-N 1 2 343.500 3.468 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2cccc(C#N)c2)C(C)(C)C1 ZINC000746479874 1298592969 /nfs/dbraw/zinc/59/29/69/1298592969.db2.gz AMDWFVQAALULIN-UHFFFAOYSA-N 1 2 329.444 3.390 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2cccc(C#N)c2)C(C)(C)C1 ZINC000746479874 1298592979 /nfs/dbraw/zinc/59/29/79/1298592979.db2.gz AMDWFVQAALULIN-UHFFFAOYSA-N 1 2 329.444 3.390 20 30 EGEDLO Cc1cc([NH2+][C@@H](C)CC2(C#N)CCOCC2)ccc1N1CCOCC1 ZINC000877196067 1299202765 /nfs/dbraw/zinc/20/27/65/1299202765.db2.gz SMDMYNQOLKMCKP-KRWDZBQOSA-N 1 2 343.471 3.343 20 30 EGEDLO C#C[C@H](CC)[NH2+]Cc1csc(N(C(C)=O)c2ccc(OC)cc2)n1 ZINC000877513480 1299357113 /nfs/dbraw/zinc/35/71/13/1299357113.db2.gz WVSXKYFNZKVRSK-CQSZACIVSA-N 1 2 343.452 3.338 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)cc1 ZINC000751913996 1299650650 /nfs/dbraw/zinc/65/06/50/1299650650.db2.gz XZUMBBVCMPBVSE-UHFFFAOYSA-N 1 2 334.448 3.490 20 30 EGEDLO C[C@H]1CC(=NN2C(=S)N=NC2c2cccc(Cl)c2)C[N@@H+]1C1CC1 ZINC000753956889 1300052760 /nfs/dbraw/zinc/05/27/60/1300052760.db2.gz YGJTWBXHKKNOTK-JTQLQIEISA-N 1 2 347.875 3.348 20 30 EGEDLO C[C@H]1CC(=NN2C(=S)N=NC2c2cccc(Cl)c2)C[N@H+]1C1CC1 ZINC000753956889 1300052774 /nfs/dbraw/zinc/05/27/74/1300052774.db2.gz YGJTWBXHKKNOTK-JTQLQIEISA-N 1 2 347.875 3.348 20 30 EGEDLO CON=Cc1ccc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000754492605 1300150538 /nfs/dbraw/zinc/15/05/38/1300150538.db2.gz MYNPGXZOYAOEFU-UHFFFAOYSA-N 1 2 335.363 3.210 20 30 EGEDLO Cc1ccnc(CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)n1 ZINC000755813524 1300401038 /nfs/dbraw/zinc/40/10/38/1300401038.db2.gz GDJPKWIWTJYNMU-UHFFFAOYSA-N 1 2 348.406 3.201 20 30 EGEDLO C#CC[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000757016236 1300612574 /nfs/dbraw/zinc/61/25/74/1300612574.db2.gz PACPOXMMPUBUIT-HXUWFJFHSA-N 1 2 344.418 3.436 20 30 EGEDLO Cc1ccn(C[N@@H+]2C[C@H](C)C[C@H]2c2ccccc2F)c(=O)c1C#N ZINC000758222626 1300821546 /nfs/dbraw/zinc/82/15/46/1300821546.db2.gz GEPATGBWPHGBBR-ACJLOTCBSA-N 1 2 325.387 3.208 20 30 EGEDLO Cc1ccn(C[N@H+]2C[C@H](C)C[C@H]2c2ccccc2F)c(=O)c1C#N ZINC000758222626 1300821561 /nfs/dbraw/zinc/82/15/61/1300821561.db2.gz GEPATGBWPHGBBR-ACJLOTCBSA-N 1 2 325.387 3.208 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(F)CC1 ZINC000880240772 1300998976 /nfs/dbraw/zinc/99/89/76/1300998976.db2.gz LIEWDAKQRFQOEJ-CYBMUJFWSA-N 1 2 335.448 3.453 20 30 EGEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(F)cc(C#N)c1 ZINC000880334624 1301069873 /nfs/dbraw/zinc/06/98/73/1301069873.db2.gz QEKHBEPTHIGQJB-OAHLLOKOSA-N 1 2 329.379 3.130 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](CC)CCC2CC2)c1=S ZINC000760539165 1301293015 /nfs/dbraw/zinc/29/30/15/1301293015.db2.gz BVZMRNPXZLSSRN-UHFFFAOYSA-N 1 2 344.488 3.137 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](CC)CCC2CC2)c1=S ZINC000760539165 1301293019 /nfs/dbraw/zinc/29/30/19/1301293019.db2.gz BVZMRNPXZLSSRN-UHFFFAOYSA-N 1 2 344.488 3.137 20 30 EGEDLO C#CC[N@@H+](CC(=O)Nc1cccc(-c2csc(C)n2)c1)C1CC1 ZINC000763958238 1301988776 /nfs/dbraw/zinc/98/87/76/1301988776.db2.gz SPJAIBVVTZJRBE-UHFFFAOYSA-N 1 2 325.437 3.155 20 30 EGEDLO C#CC[N@H+](CC(=O)Nc1cccc(-c2csc(C)n2)c1)C1CC1 ZINC000763958238 1301988781 /nfs/dbraw/zinc/98/87/81/1301988781.db2.gz SPJAIBVVTZJRBE-UHFFFAOYSA-N 1 2 325.437 3.155 20 30 EGEDLO C#CC[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)C1CC1 ZINC000763959341 1301988933 /nfs/dbraw/zinc/98/89/33/1301988933.db2.gz GFFNGDAAMFAHRQ-IBGZPJMESA-N 1 2 342.439 3.190 20 30 EGEDLO C#CC[N@H+](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)C1CC1 ZINC000763959341 1301988940 /nfs/dbraw/zinc/98/89/40/1301988940.db2.gz GFFNGDAAMFAHRQ-IBGZPJMESA-N 1 2 342.439 3.190 20 30 EGEDLO Cc1ccc(C2N=NC(=S)N2N=Cc2cccc3[nH+]ccn32)cc1 ZINC000771089768 1303358240 /nfs/dbraw/zinc/35/82/40/1303358240.db2.gz SXBZLZZTJLAYIK-UHFFFAOYSA-N 1 2 334.408 3.072 20 30 EGEDLO C#C[C@H]([NH2+][C@H](C)c1nnn(-c2cccc(Cl)c2)c1C)[C@@H]1CCCO1 ZINC000775572536 1303987127 /nfs/dbraw/zinc/98/71/27/1303987127.db2.gz BLNIZURWNOMICE-DQYPLSBCSA-N 1 2 344.846 3.061 20 30 EGEDLO C[N@@H+](Cc1cccc(C#N)c1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777955075 1304372471 /nfs/dbraw/zinc/37/24/71/1304372471.db2.gz KWIXTJSLOSKSMK-UHFFFAOYSA-N 1 2 347.378 3.419 20 30 EGEDLO C[N@H+](Cc1cccc(C#N)c1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777955075 1304372478 /nfs/dbraw/zinc/37/24/78/1304372478.db2.gz KWIXTJSLOSKSMK-UHFFFAOYSA-N 1 2 347.378 3.419 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000778162816 1304407266 /nfs/dbraw/zinc/40/72/66/1304407266.db2.gz VUGNWARBRPQYHE-UHFFFAOYSA-N 1 2 346.789 3.219 20 30 EGEDLO Cc1c[nH+]c2cc(C(=O)Nc3nc4c(cc3C#N)CCCC4)ccn12 ZINC000889845287 1304604513 /nfs/dbraw/zinc/60/45/13/1304604513.db2.gz NVXQWRLBJAFBDV-UHFFFAOYSA-N 1 2 331.379 3.041 20 30 EGEDLO C#CCCCCCC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000779859362 1304616011 /nfs/dbraw/zinc/61/60/11/1304616011.db2.gz KNVGFDHMXDEEEU-UHFFFAOYSA-N 1 2 325.412 3.484 20 30 EGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000780161227 1304647302 /nfs/dbraw/zinc/64/73/02/1304647302.db2.gz ILPPEORRGTYOQR-HNNXBMFYSA-N 1 2 346.390 3.475 20 30 EGEDLO Cc1cc(C(=O)OCCCn2cc[nH+]c2)c(C)n1-c1ccc(C#N)cc1 ZINC000783452744 1305094263 /nfs/dbraw/zinc/09/42/63/1305094263.db2.gz QNUJVJPKGMTNQM-UHFFFAOYSA-N 1 2 348.406 3.409 20 30 EGEDLO C[C@H]1Cc2cc(C[N@@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)ccc2O1 ZINC000892245007 1305293416 /nfs/dbraw/zinc/29/34/16/1305293416.db2.gz OKIPLZVIZCUQEG-YCRPNKLZSA-N 1 2 334.419 3.455 20 30 EGEDLO C[C@H]1Cc2cc(C[N@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)ccc2O1 ZINC000892245007 1305293418 /nfs/dbraw/zinc/29/34/18/1305293418.db2.gz OKIPLZVIZCUQEG-YCRPNKLZSA-N 1 2 334.419 3.455 20 30 EGEDLO C#CC[N@@H+](C)CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000792306494 1309158625 /nfs/dbraw/zinc/15/86/25/1309158625.db2.gz SLDSGYYYMSMNTC-UHFFFAOYSA-N 1 2 336.439 3.033 20 30 EGEDLO C#CC[N@H+](C)CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000792306494 1309158627 /nfs/dbraw/zinc/15/86/27/1309158627.db2.gz SLDSGYYYMSMNTC-UHFFFAOYSA-N 1 2 336.439 3.033 20 30 EGEDLO Cc1cccn2c(/C=C/C(=O)c3ccc(C(=O)N(C)C)cc3)c[nH+]c12 ZINC000792924948 1309260758 /nfs/dbraw/zinc/26/07/58/1309260758.db2.gz QHNQJNRUXDRTKW-ZHACJKMWSA-N 1 2 333.391 3.241 20 30 EGEDLO C[C@H]1C[N@H+](Cn2nc(CC#N)n(C)c2=S)CC[C@H]1c1ccccc1 ZINC000794632565 1309560366 /nfs/dbraw/zinc/56/03/66/1309560366.db2.gz KNYJUSDZNGWETI-GOEBONIOSA-N 1 2 341.484 3.100 20 30 EGEDLO C[C@H]1C[N@@H+](Cn2nc(CC#N)n(C)c2=S)CC[C@H]1c1ccccc1 ZINC000794632565 1309560370 /nfs/dbraw/zinc/56/03/70/1309560370.db2.gz KNYJUSDZNGWETI-GOEBONIOSA-N 1 2 341.484 3.100 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1Cc2c(cccc2Cl)C1=O ZINC000795409763 1309744981 /nfs/dbraw/zinc/74/49/81/1309744981.db2.gz YYBNGPMXNGMHAX-UHFFFAOYSA-N 1 2 325.799 3.257 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1Cc2c(cccc2Cl)C1=O ZINC000795409763 1309744987 /nfs/dbraw/zinc/74/49/87/1309744987.db2.gz YYBNGPMXNGMHAX-UHFFFAOYSA-N 1 2 325.799 3.257 20 30 EGEDLO N#Cc1cccn(C[N@H+](Cc2ccccc2Cl)CC2CC2)c1=O ZINC000795677272 1309804942 /nfs/dbraw/zinc/80/49/42/1309804942.db2.gz YHMIATVXOWADKQ-UHFFFAOYSA-N 1 2 327.815 3.243 20 30 EGEDLO N#Cc1cccn(C[N@@H+](Cc2ccccc2Cl)CC2CC2)c1=O ZINC000795677272 1309804954 /nfs/dbraw/zinc/80/49/54/1309804954.db2.gz YHMIATVXOWADKQ-UHFFFAOYSA-N 1 2 327.815 3.243 20 30 EGEDLO CN(c1ccccc1)c1ccc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)cn1 ZINC000797785951 1310246600 /nfs/dbraw/zinc/24/66/00/1310246600.db2.gz AFQJYWUPWROAKC-HDICACEKSA-N 1 2 348.454 3.043 20 30 EGEDLO COc1ccccc1CO[NH+]=Cc1ccc(N2CCOCC2)s1 ZINC000799117878 1310489574 /nfs/dbraw/zinc/48/95/74/1310489574.db2.gz QRHSTSLGHQWCIS-UHFFFAOYSA-N 1 2 332.425 3.144 20 30 EGEDLO N#CC1(c2ccccn2)CC[NH+](Cn2ccc(-c3ccccc3)n2)CC1 ZINC000799943149 1310641946 /nfs/dbraw/zinc/64/19/46/1310641946.db2.gz MHMMKDFKGOEHAY-UHFFFAOYSA-N 1 2 343.434 3.460 20 30 EGEDLO Cc1[nH+]c(C(C)N=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1C ZINC000800805561 1310808869 /nfs/dbraw/zinc/80/88/69/1310808869.db2.gz SGGQCYKUERAXRJ-UHFFFAOYSA-N 1 2 341.293 3.492 20 30 EGEDLO COC(=O)c1c(F)cccc1N[NH+]=Cc1ccc(N(C)C(C)C)nc1 ZINC000800818318 1310812528 /nfs/dbraw/zinc/81/25/28/1310812528.db2.gz RSYGDBPPPXBTMK-UHFFFAOYSA-N 1 2 344.390 3.298 20 30 EGEDLO CCC[N@H+](Cc1nc(COC(C)C)no1)Cc1ccc(C#N)cc1 ZINC000929268625 1328553370 /nfs/dbraw/zinc/55/33/70/1328553370.db2.gz GIIFXHAWBMWLKL-UHFFFAOYSA-N 1 2 328.416 3.278 20 30 EGEDLO CCC[N@@H+](Cc1nc(COC(C)C)no1)Cc1ccc(C#N)cc1 ZINC000929268625 1328553377 /nfs/dbraw/zinc/55/33/77/1328553377.db2.gz GIIFXHAWBMWLKL-UHFFFAOYSA-N 1 2 328.416 3.278 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2csc3c2CC[C@H](C)C3)C1 ZINC000957352053 1317304138 /nfs/dbraw/zinc/30/41/38/1317304138.db2.gz MDIBFWJVLOMBBH-AWEZNQCLSA-N 1 2 330.497 3.043 20 30 EGEDLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000805774629 1317423367 /nfs/dbraw/zinc/42/33/67/1317423367.db2.gz PATPJQWOUPFXQA-KRWDZBQOSA-N 1 2 333.407 3.188 20 30 EGEDLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000805774629 1317423371 /nfs/dbraw/zinc/42/33/71/1317423371.db2.gz PATPJQWOUPFXQA-KRWDZBQOSA-N 1 2 333.407 3.188 20 30 EGEDLO CC(C)n1c[nH+]cc1C=CC(=O)c1ccc(C(F)(F)F)[nH]c1=O ZINC000901457610 1317429121 /nfs/dbraw/zinc/42/91/21/1317429121.db2.gz NKDXYVPVSNEGJN-HYXAFXHYSA-N 1 2 325.290 3.480 20 30 EGEDLO CCCCCCCCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000806332679 1317481728 /nfs/dbraw/zinc/48/17/28/1317481728.db2.gz QCQFSQMPDXMXBU-ZWKOTPCHSA-N 1 2 339.524 3.242 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](CN2CCN(Cc3cccc(Cl)c3)C2=O)C1 ZINC000902310469 1317561656 /nfs/dbraw/zinc/56/16/56/1317561656.db2.gz CZZYSMQSEYAGAX-OAHLLOKOSA-N 1 2 346.862 3.161 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](CN2CCN(Cc3cccc(Cl)c3)C2=O)C1 ZINC000902310469 1317561662 /nfs/dbraw/zinc/56/16/62/1317561662.db2.gz CZZYSMQSEYAGAX-OAHLLOKOSA-N 1 2 346.862 3.161 20 30 EGEDLO C=C[C@H](C(=O)N1CC[NH+](Cc2cccnc2C)CC1)c1ccccc1 ZINC000957744324 1317609291 /nfs/dbraw/zinc/60/92/91/1317609291.db2.gz QXSDZMPLGCCVDL-FQEVSTJZSA-N 1 2 335.451 3.004 20 30 EGEDLO C#CCNC(=O)[C@H](C)[NH+]1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000808780793 1317733108 /nfs/dbraw/zinc/73/31/08/1317733108.db2.gz DBLIVIMBIGYUHY-LBPRGKRZSA-N 1 2 339.266 3.311 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1cc(Br)nn1C)c1ccc(Cl)cc1 ZINC000811516199 1318192104 /nfs/dbraw/zinc/19/21/04/1318192104.db2.gz GQAQMCDHZINDKB-CYBMUJFWSA-N 1 2 338.636 3.300 20 30 EGEDLO C#Cc1ccccc1CC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000811891137 1318286092 /nfs/dbraw/zinc/28/60/92/1318286092.db2.gz MPIPMYFWYIWSHW-UHFFFAOYSA-N 1 2 345.402 3.125 20 30 EGEDLO C=CCn1c(C(C)C)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000908640570 1318377646 /nfs/dbraw/zinc/37/76/46/1318377646.db2.gz NDZMQUSPTAPBNT-UHFFFAOYSA-N 1 2 326.448 3.063 20 30 EGEDLO C=CCn1c(N2CCC(Nc3cccc[nH+]3)CC2)nnc1C(C)(C)C ZINC000908639416 1318378455 /nfs/dbraw/zinc/37/84/55/1318378455.db2.gz DRZMHKMVDZPYSO-UHFFFAOYSA-N 1 2 340.475 3.238 20 30 EGEDLO N#Cc1cncc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000930076326 1328779463 /nfs/dbraw/zinc/77/94/63/1328779463.db2.gz BEFXZEIQPTWBOS-UHFFFAOYSA-N 1 2 346.356 3.294 20 30 EGEDLO C[Si](C)(C)C#CCCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000912328863 1318870703 /nfs/dbraw/zinc/87/07/03/1318870703.db2.gz TWSGPSBXFYSSIV-QGZVFWFLSA-N 1 2 339.515 3.319 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)[C@@H](C)c1ncccn1 ZINC000960786858 1318887651 /nfs/dbraw/zinc/88/76/51/1318887651.db2.gz LWXVHTQMOJSLES-JKSUJKDBSA-N 1 2 330.476 3.063 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)[C@@H](C)c1ncccn1 ZINC000960786858 1318887661 /nfs/dbraw/zinc/88/76/61/1318887661.db2.gz LWXVHTQMOJSLES-JKSUJKDBSA-N 1 2 330.476 3.063 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ncc(C)s1 ZINC000960788782 1318890858 /nfs/dbraw/zinc/89/08/58/1318890858.db2.gz UQCXWFNTXBPFCA-OAHLLOKOSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ncc(C)s1 ZINC000960788782 1318890866 /nfs/dbraw/zinc/89/08/66/1318890866.db2.gz UQCXWFNTXBPFCA-OAHLLOKOSA-N 1 2 335.517 3.477 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ncc(C(C)C)o1 ZINC000960790324 1318891658 /nfs/dbraw/zinc/89/16/58/1318891658.db2.gz LZSDRHWTQGHPBQ-OAHLLOKOSA-N 1 2 333.476 3.433 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ncc(C(C)C)o1 ZINC000960790324 1318891673 /nfs/dbraw/zinc/89/16/73/1318891673.db2.gz LZSDRHWTQGHPBQ-OAHLLOKOSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)[C@@H](C)c1nc(CC)no1 ZINC000960789865 1318892906 /nfs/dbraw/zinc/89/29/06/1318892906.db2.gz ZESUWFHYVLAKGV-GJZGRUSLSA-N 1 2 348.491 3.218 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)[C@@H](C)c1nc(CC)no1 ZINC000960789865 1318892918 /nfs/dbraw/zinc/89/29/18/1318892918.db2.gz ZESUWFHYVLAKGV-GJZGRUSLSA-N 1 2 348.491 3.218 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccncc1Cl ZINC000960792276 1318897284 /nfs/dbraw/zinc/89/72/84/1318897284.db2.gz UUCAJDGPGCSDPP-HNNXBMFYSA-N 1 2 335.879 3.370 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccncc1Cl ZINC000960792276 1318897291 /nfs/dbraw/zinc/89/72/91/1318897291.db2.gz UUCAJDGPGCSDPP-HNNXBMFYSA-N 1 2 335.879 3.370 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2cscn2)CC1 ZINC000960832255 1318960758 /nfs/dbraw/zinc/96/07/58/1318960758.db2.gz NIGCOESRGTWDRB-QGZVFWFLSA-N 1 2 333.501 3.312 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2cscn2)CC1 ZINC000960832255 1318960766 /nfs/dbraw/zinc/96/07/66/1318960766.db2.gz NIGCOESRGTWDRB-QGZVFWFLSA-N 1 2 333.501 3.312 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2ncc(C)s2)C1 ZINC000960848555 1318987825 /nfs/dbraw/zinc/98/78/25/1318987825.db2.gz YVGMDWSZIRMHLZ-HNNXBMFYSA-N 1 2 333.501 3.231 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2ncc(C)s2)C1 ZINC000960848555 1318987834 /nfs/dbraw/zinc/98/78/34/1318987834.db2.gz YVGMDWSZIRMHLZ-HNNXBMFYSA-N 1 2 333.501 3.231 20 30 EGEDLO CCC1(CC)CCN(C[N@H+](CCOC)Cc2ccc(C#N)cc2)C1=O ZINC000817360673 1319338791 /nfs/dbraw/zinc/33/87/91/1319338791.db2.gz UFUJOXMTZMKMKP-UHFFFAOYSA-N 1 2 343.471 3.003 20 30 EGEDLO CCC1(CC)CCN(C[N@@H+](CCOC)Cc2ccc(C#N)cc2)C1=O ZINC000817360673 1319338804 /nfs/dbraw/zinc/33/88/04/1319338804.db2.gz UFUJOXMTZMKMKP-UHFFFAOYSA-N 1 2 343.471 3.003 20 30 EGEDLO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000916622790 1319686594 /nfs/dbraw/zinc/68/65/94/1319686594.db2.gz LOCDRXJCGRMXGH-MCIONIFRSA-N 1 2 327.453 3.450 20 30 EGEDLO Fc1ccccc1NC(=S)NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000917025241 1319740484 /nfs/dbraw/zinc/74/04/84/1319740484.db2.gz IYLAXPFUPXLOSN-UHFFFAOYSA-N 1 2 339.399 3.332 20 30 EGEDLO N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000839057767 1320859984 /nfs/dbraw/zinc/85/99/84/1320859984.db2.gz NJGHGVQCZNTXRM-TZMCWYRMSA-N 1 2 340.339 3.020 20 30 EGEDLO C=c1[nH]c(=O)[nH]c(=O)c1=C(C)[NH2+]Nc1ccccc1C(F)(F)F ZINC000839384081 1320911535 /nfs/dbraw/zinc/91/15/35/1320911535.db2.gz STTYZVXKLHKWGR-UHFFFAOYSA-N 1 2 326.278 3.051 20 30 EGEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)NCCc1cccs1 ZINC000839468931 1320926719 /nfs/dbraw/zinc/92/67/19/1320926719.db2.gz BLMMQPAANZTNFO-HNNXBMFYSA-N 1 2 344.455 3.070 20 30 EGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)NCCc1cccs1 ZINC000839468931 1320926721 /nfs/dbraw/zinc/92/67/21/1320926721.db2.gz BLMMQPAANZTNFO-HNNXBMFYSA-N 1 2 344.455 3.070 20 30 EGEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)NCc1cccs1 ZINC000839470367 1320926754 /nfs/dbraw/zinc/92/67/54/1320926754.db2.gz NQZYYOCYYCJTIA-CQSZACIVSA-N 1 2 330.428 3.027 20 30 EGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)NCc1cccs1 ZINC000839470367 1320926757 /nfs/dbraw/zinc/92/67/57/1320926757.db2.gz NQZYYOCYYCJTIA-CQSZACIVSA-N 1 2 330.428 3.027 20 30 EGEDLO C=CC[N@@H+](Cc1ccccc1)CN1C(=O)C2(CCOCC2)[C@H]1C1CC1 ZINC000839961434 1321003579 /nfs/dbraw/zinc/00/35/79/1321003579.db2.gz WCHJOVJSYBHMIE-LJQANCHMSA-N 1 2 340.467 3.050 20 30 EGEDLO C=CC[N@H+](Cc1ccccc1)CN1C(=O)C2(CCOCC2)[C@H]1C1CC1 ZINC000839961434 1321003588 /nfs/dbraw/zinc/00/35/88/1321003588.db2.gz WCHJOVJSYBHMIE-LJQANCHMSA-N 1 2 340.467 3.050 20 30 EGEDLO C[C@@H](CC(C)(C)C#N)OC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000851203824 1322353540 /nfs/dbraw/zinc/35/35/40/1322353540.db2.gz GFPJJWRAIVFLKV-HNNXBMFYSA-N 1 2 325.412 3.345 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851400590 1323033434 /nfs/dbraw/zinc/03/34/34/1323033434.db2.gz IYWAWPUHXCXIEZ-IBGZPJMESA-N 1 2 332.444 3.070 20 30 EGEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000852319691 1323178330 /nfs/dbraw/zinc/17/83/30/1323178330.db2.gz QWICXJOOAJNJOS-FPXKJXHESA-N 1 2 337.467 3.493 20 30 EGEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000852319691 1323178334 /nfs/dbraw/zinc/17/83/34/1323178334.db2.gz QWICXJOOAJNJOS-FPXKJXHESA-N 1 2 337.467 3.493 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2cccs2)s1 ZINC001024316068 1323299982 /nfs/dbraw/zinc/29/99/82/1323299982.db2.gz HPYOFXWECSEFDH-CYBMUJFWSA-N 1 2 345.493 3.466 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2cccs2)s1 ZINC001024316068 1323299986 /nfs/dbraw/zinc/29/99/86/1323299986.db2.gz HPYOFXWECSEFDH-CYBMUJFWSA-N 1 2 345.493 3.466 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccoc2)c1 ZINC001024330996 1323317167 /nfs/dbraw/zinc/31/71/67/1323317167.db2.gz CDOLDZQBABPING-QGZVFWFLSA-N 1 2 341.386 3.075 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccoc2)c1 ZINC001024330996 1323317173 /nfs/dbraw/zinc/31/71/73/1323317173.db2.gz CDOLDZQBABPING-QGZVFWFLSA-N 1 2 341.386 3.075 20 30 EGEDLO Cc1ccoc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001024331912 1323320521 /nfs/dbraw/zinc/32/05/21/1323320521.db2.gz SJUPIGXEZYTRJA-GOSISDBHSA-N 1 2 337.423 3.244 20 30 EGEDLO Cc1ccoc1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001024331912 1323320525 /nfs/dbraw/zinc/32/05/25/1323320525.db2.gz SJUPIGXEZYTRJA-GOSISDBHSA-N 1 2 337.423 3.244 20 30 EGEDLO Cc1ccoc1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001024331913 1323320566 /nfs/dbraw/zinc/32/05/66/1323320566.db2.gz SJUPIGXEZYTRJA-SFHVURJKSA-N 1 2 337.423 3.244 20 30 EGEDLO Cc1ccoc1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001024331913 1323320569 /nfs/dbraw/zinc/32/05/69/1323320569.db2.gz SJUPIGXEZYTRJA-SFHVURJKSA-N 1 2 337.423 3.244 20 30 EGEDLO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1snc(Cl)c1Cl ZINC001024458846 1323415509 /nfs/dbraw/zinc/41/55/09/1323415509.db2.gz KUHYZMXMVJZJJT-SNVBAGLBSA-N 1 2 346.283 3.058 20 30 EGEDLO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1snc(Cl)c1Cl ZINC001024458846 1323415512 /nfs/dbraw/zinc/41/55/12/1323415512.db2.gz KUHYZMXMVJZJJT-SNVBAGLBSA-N 1 2 346.283 3.058 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001024527224 1323473340 /nfs/dbraw/zinc/47/33/40/1323473340.db2.gz PCLUQZBIIBBLNO-ZDUSSCGKSA-N 1 2 338.883 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001024527224 1323473345 /nfs/dbraw/zinc/47/33/45/1323473345.db2.gz PCLUQZBIIBBLNO-ZDUSSCGKSA-N 1 2 338.883 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2cccnc21 ZINC001024617638 1323545913 /nfs/dbraw/zinc/54/59/13/1323545913.db2.gz LEIWJZCGQOUAEK-DLBZAZTESA-N 1 2 347.890 3.225 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2cccnc21 ZINC001024617638 1323545918 /nfs/dbraw/zinc/54/59/18/1323545918.db2.gz LEIWJZCGQOUAEK-DLBZAZTESA-N 1 2 347.890 3.225 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ncc(CC)o2)CC1 ZINC001024632763 1323558826 /nfs/dbraw/zinc/55/88/26/1323558826.db2.gz ATSSAWWJFQHQCA-QGZVFWFLSA-N 1 2 345.487 3.454 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ncc(CC)o2)CC1 ZINC001024632763 1323558831 /nfs/dbraw/zinc/55/88/31/1323558831.db2.gz ATSSAWWJFQHQCA-QGZVFWFLSA-N 1 2 345.487 3.454 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(F)c(OC)c1 ZINC001024664672 1323579754 /nfs/dbraw/zinc/57/97/54/1323579754.db2.gz WDFFWGLLOUFDMR-CQSZACIVSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(F)c(OC)c1 ZINC001024664672 1323579758 /nfs/dbraw/zinc/57/97/58/1323579758.db2.gz WDFFWGLLOUFDMR-CQSZACIVSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC001024671303 1323582432 /nfs/dbraw/zinc/58/24/32/1323582432.db2.gz DBTGEICEFYABGH-LBPRGKRZSA-N 1 2 346.780 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC001024671303 1323582435 /nfs/dbraw/zinc/58/24/35/1323582435.db2.gz DBTGEICEFYABGH-LBPRGKRZSA-N 1 2 346.780 3.441 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCCC[C@H]1C[NH2+]Cc1nc(C(C)C)no1 ZINC001025070318 1323872027 /nfs/dbraw/zinc/87/20/27/1323872027.db2.gz XRMWIGJCTDFAMR-KXBFYZLASA-N 1 2 348.491 3.266 20 30 EGEDLO Cc1nc(NCc2ccc(OCC#N)cc2)c(Br)c(C)[nH+]1 ZINC000853261111 1325073861 /nfs/dbraw/zinc/07/38/61/1325073861.db2.gz QOARKCWQRGPAKQ-UHFFFAOYSA-N 1 2 347.216 3.370 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](CN2C[C@@H](c3cccc(Cl)c3)CC2=O)C1 ZINC000853523465 1325114394 /nfs/dbraw/zinc/11/43/94/1325114394.db2.gz FATSCPFKXSFVPK-ZBFHGGJFSA-N 1 2 331.847 3.239 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](CN2C[C@@H](c3cccc(Cl)c3)CC2=O)C1 ZINC000853523465 1325114399 /nfs/dbraw/zinc/11/43/99/1325114399.db2.gz FATSCPFKXSFVPK-ZBFHGGJFSA-N 1 2 331.847 3.239 20 30 EGEDLO C=CC[N@H+](CN1CCN(c2ccc(Cl)cc2)C1=O)[C@@H](C)COC ZINC000853533964 1325117219 /nfs/dbraw/zinc/11/72/19/1325117219.db2.gz FPHXRKKHNCZZSD-AWEZNQCLSA-N 1 2 337.851 3.062 20 30 EGEDLO C=CC[N@@H+](CN1CCN(c2ccc(Cl)cc2)C1=O)[C@@H](C)COC ZINC000853533964 1325117226 /nfs/dbraw/zinc/11/72/26/1325117226.db2.gz FPHXRKKHNCZZSD-AWEZNQCLSA-N 1 2 337.851 3.062 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2occc2C)C1 ZINC001027300105 1325441556 /nfs/dbraw/zinc/44/15/56/1325441556.db2.gz LPRHNXBHYOOTIZ-CYBMUJFWSA-N 1 2 341.249 3.033 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)c2occc2C)C1 ZINC001027300105 1325441563 /nfs/dbraw/zinc/44/15/63/1325441563.db2.gz LPRHNXBHYOOTIZ-CYBMUJFWSA-N 1 2 341.249 3.033 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]([N@H+](C)Cc2nccs2)C1 ZINC001027425124 1327657288 /nfs/dbraw/zinc/65/72/88/1327657288.db2.gz FUZJRJGCPAJLKL-ZDUSSCGKSA-N 1 2 341.908 3.345 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2nccs2)C1 ZINC001027425124 1327657295 /nfs/dbraw/zinc/65/72/95/1327657295.db2.gz FUZJRJGCPAJLKL-ZDUSSCGKSA-N 1 2 341.908 3.345 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]([N@H+](C)Cc2coc(C)n2)C1 ZINC001027425507 1327659066 /nfs/dbraw/zinc/65/90/66/1327659066.db2.gz JQZMCNINWAVOJP-HNNXBMFYSA-N 1 2 339.867 3.185 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2coc(C)n2)C1 ZINC001027425507 1327659073 /nfs/dbraw/zinc/65/90/73/1327659073.db2.gz JQZMCNINWAVOJP-HNNXBMFYSA-N 1 2 339.867 3.185 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2ncc(CC)o2)C1 ZINC001027518845 1327789870 /nfs/dbraw/zinc/78/98/70/1327789870.db2.gz AICLWFBKODOISD-HNNXBMFYSA-N 1 2 333.476 3.262 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([N@H+](C)Cc2ncc(CC)o2)C1 ZINC001027518845 1327789876 /nfs/dbraw/zinc/78/98/76/1327789876.db2.gz AICLWFBKODOISD-HNNXBMFYSA-N 1 2 333.476 3.262 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2csc(CC)n2)C1 ZINC001027522226 1327796553 /nfs/dbraw/zinc/79/65/53/1327796553.db2.gz USSPIOVUVYTVAZ-OAHLLOKOSA-N 1 2 335.517 3.341 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2csc(CC)n2)C1 ZINC001027522226 1327796559 /nfs/dbraw/zinc/79/65/59/1327796559.db2.gz USSPIOVUVYTVAZ-OAHLLOKOSA-N 1 2 335.517 3.341 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2(C)CCC2)C1 ZINC001027528496 1327805965 /nfs/dbraw/zinc/80/59/65/1327805965.db2.gz WNDDIBUWPDXFHC-CYBMUJFWSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)C2(C)CCC2)C1 ZINC001027528496 1327805972 /nfs/dbraw/zinc/80/59/72/1327805972.db2.gz WNDDIBUWPDXFHC-CYBMUJFWSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@H+](C)Cc3coc(C)n3)C2)CC1 ZINC001027558642 1327869237 /nfs/dbraw/zinc/86/92/37/1327869237.db2.gz DVGSCKTYUKOBME-SFHVURJKSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@@H+](C)Cc3coc(C)n3)C2)CC1 ZINC001027558642 1327869246 /nfs/dbraw/zinc/86/92/46/1327869246.db2.gz DVGSCKTYUKOBME-SFHVURJKSA-N 1 2 331.460 3.152 20 30 EGEDLO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C=C1CCC1 ZINC000965890180 1328082741 /nfs/dbraw/zinc/08/27/41/1328082741.db2.gz CKNBACCIJPVTIJ-AUUYWEPGSA-N 1 2 341.430 3.134 20 30 EGEDLO C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C=C1CCC1 ZINC000965890180 1328082747 /nfs/dbraw/zinc/08/27/47/1328082747.db2.gz CKNBACCIJPVTIJ-AUUYWEPGSA-N 1 2 341.430 3.134 20 30 EGEDLO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1)c1cccs1 ZINC001027734104 1328159612 /nfs/dbraw/zinc/15/96/12/1328159612.db2.gz QSPBIPAVRNTPCF-KRWDZBQOSA-N 1 2 342.439 3.133 20 30 EGEDLO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1)c1cccs1 ZINC001027734104 1328159616 /nfs/dbraw/zinc/15/96/16/1328159616.db2.gz QSPBIPAVRNTPCF-KRWDZBQOSA-N 1 2 342.439 3.133 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC001027881845 1328350389 /nfs/dbraw/zinc/35/03/89/1328350389.db2.gz BIPJSRRWKYGGHP-RRFJBIMHSA-N 1 2 338.904 3.493 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC001027881845 1328350402 /nfs/dbraw/zinc/35/04/02/1328350402.db2.gz BIPJSRRWKYGGHP-RRFJBIMHSA-N 1 2 338.904 3.493 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(-c2ccccc2)on1 ZINC001028012538 1328474430 /nfs/dbraw/zinc/47/44/30/1328474430.db2.gz DMAJKWVYCSGSHR-OAHLLOKOSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(-c2ccccc2)on1 ZINC001028012538 1328474433 /nfs/dbraw/zinc/47/44/33/1328474433.db2.gz DMAJKWVYCSGSHR-OAHLLOKOSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1coc2ccc(OC)cc21 ZINC001028017591 1328479622 /nfs/dbraw/zinc/47/96/22/1328479622.db2.gz VLQKOCBSMUVCIU-CYBMUJFWSA-N 1 2 348.830 3.388 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1coc2ccc(OC)cc21 ZINC001028017591 1328479624 /nfs/dbraw/zinc/47/96/24/1328479624.db2.gz VLQKOCBSMUVCIU-CYBMUJFWSA-N 1 2 348.830 3.388 20 30 EGEDLO C=C(C)c1cccc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000934883783 1330014805 /nfs/dbraw/zinc/01/48/05/1330014805.db2.gz ZUDUDGHDIYTRLD-YJBOKZPZSA-N 1 2 329.444 3.047 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C)C(C)(C)C1 ZINC000941178027 1331371927 /nfs/dbraw/zinc/37/19/27/1331371927.db2.gz SIYULCIENSCAQB-GFCCVEGCSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C)C(C)(C)C1 ZINC000941178027 1331371930 /nfs/dbraw/zinc/37/19/30/1331371930.db2.gz SIYULCIENSCAQB-GFCCVEGCSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C4CC4)o3)[C@H](C)C2)C1 ZINC000947702900 1333233735 /nfs/dbraw/zinc/23/37/35/1333233735.db2.gz ULXFFQMFXULCHM-ZBFHGGJFSA-N 1 2 343.471 3.377 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C4CC4)o3)[C@H](C)C2)C1 ZINC000947702900 1333233737 /nfs/dbraw/zinc/23/37/37/1333233737.db2.gz ULXFFQMFXULCHM-ZBFHGGJFSA-N 1 2 343.471 3.377 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3nnc(C)s3)CC2)C1 ZINC000948747057 1333657454 /nfs/dbraw/zinc/65/74/54/1333657454.db2.gz NHEBILWOVAJQQM-OAHLLOKOSA-N 1 2 348.516 3.016 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3nnc(C)s3)CC2)C1 ZINC000948747057 1333657457 /nfs/dbraw/zinc/65/74/57/1333657457.db2.gz NHEBILWOVAJQQM-OAHLLOKOSA-N 1 2 348.516 3.016 20 30 EGEDLO C=CCn1cccc1C(=O)N1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC000948762326 1333666474 /nfs/dbraw/zinc/66/64/74/1333666474.db2.gz VJTMYJNTXVUZNB-INIZCTEOSA-N 1 2 341.430 3.332 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccccc1CC ZINC000948949440 1333743715 /nfs/dbraw/zinc/74/37/15/1333743715.db2.gz AXWJRWQFBFKLPS-OAQYLSRUSA-N 1 2 332.447 3.211 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccccc1CC ZINC000948949440 1333743716 /nfs/dbraw/zinc/74/37/16/1333743716.db2.gz AXWJRWQFBFKLPS-OAQYLSRUSA-N 1 2 332.447 3.211 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1c(C)onc1CC ZINC000948982684 1333757422 /nfs/dbraw/zinc/75/74/22/1333757422.db2.gz PQQNDJAOLVVMEA-GOSISDBHSA-N 1 2 339.439 3.061 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1c(C)onc1CC ZINC000948982684 1333757426 /nfs/dbraw/zinc/75/74/26/1333757426.db2.gz PQQNDJAOLVVMEA-GOSISDBHSA-N 1 2 339.439 3.061 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(CC(C)C)c[nH]1 ZINC000948982906 1333758518 /nfs/dbraw/zinc/75/85/18/1333758518.db2.gz TWGLWSQXZDQMRO-NRFANRHFSA-N 1 2 349.478 3.176 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(CC(C)C)c[nH]1 ZINC000948982906 1333758519 /nfs/dbraw/zinc/75/85/19/1333758519.db2.gz TWGLWSQXZDQMRO-NRFANRHFSA-N 1 2 349.478 3.176 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000949631800 1333886226 /nfs/dbraw/zinc/88/62/26/1333886226.db2.gz SEDIVKXSVPWKQQ-UHFFFAOYSA-N 1 2 336.520 3.472 20 30 EGEDLO C=C1CCC(C(=O)N2CC[NH+](CCOc3ccc(F)cc3)CC2)CC1 ZINC000950047445 1334001820 /nfs/dbraw/zinc/00/18/20/1334001820.db2.gz WZWLCWZTPKCCHT-UHFFFAOYSA-N 1 2 346.446 3.095 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccccc2-c2ccncc2)C1 ZINC000950621213 1334097940 /nfs/dbraw/zinc/09/79/40/1334097940.db2.gz UCAALJMJFJNWMO-UHFFFAOYSA-N 1 2 335.451 3.471 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc3cc(Cl)ccc3o2)C1 ZINC000950790863 1334129786 /nfs/dbraw/zinc/12/97/86/1334129786.db2.gz ZTHOYVKIFRJKJM-UHFFFAOYSA-N 1 2 330.815 3.256 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(F)c(Cl)c2F)C1 ZINC000951608933 1334278384 /nfs/dbraw/zinc/27/83/84/1334278384.db2.gz OJAMWGNPXPRZLL-UHFFFAOYSA-N 1 2 328.790 3.341 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(F)cc3cccnc32)C1 ZINC000952393441 1334445338 /nfs/dbraw/zinc/44/53/38/1334445338.db2.gz AMKWWAAGYUHWDE-UHFFFAOYSA-N 1 2 327.403 3.096 20 30 EGEDLO Cc1cc(NCC[C@H]2CCCCN2C(=O)[C@@H](C)C#N)nc(C2CC2)[nH+]1 ZINC001063823646 1352028518 /nfs/dbraw/zinc/02/85/18/1352028518.db2.gz UQLUUPPURFQKPO-XJKSGUPXSA-N 1 2 341.459 3.005 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3scnc3c2)C1 ZINC000968493906 1335941077 /nfs/dbraw/zinc/94/10/77/1335941077.db2.gz ZJRPANYXQYXVLN-ABAIWWIYSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3scnc3c2)C1 ZINC000968493906 1335941074 /nfs/dbraw/zinc/94/10/74/1335941074.db2.gz ZJRPANYXQYXVLN-ABAIWWIYSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000968508549 1335947189 /nfs/dbraw/zinc/94/71/89/1335947189.db2.gz AZKBIOQTXNQNAC-MEDUHNTESA-N 1 2 346.862 3.064 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000968508549 1335947190 /nfs/dbraw/zinc/94/71/90/1335947190.db2.gz AZKBIOQTXNQNAC-MEDUHNTESA-N 1 2 346.862 3.064 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2sc(C)cc2C)C1 ZINC000968596839 1335978019 /nfs/dbraw/zinc/97/80/19/1335978019.db2.gz NEEANMYAYWDIRB-NHYWBVRUSA-N 1 2 340.920 3.487 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2sc(C)cc2C)C1 ZINC000968596839 1335978022 /nfs/dbraw/zinc/97/80/22/1335978022.db2.gz NEEANMYAYWDIRB-NHYWBVRUSA-N 1 2 340.920 3.487 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2conc2C2CCCC2)C1 ZINC000969824710 1336251098 /nfs/dbraw/zinc/25/10/98/1336251098.db2.gz FSPBETNGPCSHIU-LBPRGKRZSA-N 1 2 337.851 3.135 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnoc2-c2ccccc2)C1 ZINC000970668393 1336331271 /nfs/dbraw/zinc/33/12/71/1336331271.db2.gz NVXBMCSQOUMBHT-CYBMUJFWSA-N 1 2 345.830 3.144 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2C(C)C)CC1 ZINC001006222037 1336469777 /nfs/dbraw/zinc/46/97/77/1336469777.db2.gz ZSRJOIZJOAJZHL-LSDHHAIUSA-N 1 2 343.309 3.110 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)s1 ZINC001006582413 1336530699 /nfs/dbraw/zinc/53/06/99/1336530699.db2.gz BWGIHNZAZZFPKV-OAHLLOKOSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)s1 ZINC001006582413 1336530702 /nfs/dbraw/zinc/53/07/02/1336530702.db2.gz BWGIHNZAZZFPKV-OAHLLOKOSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)C3CCCCC3)C2)ccc1F ZINC001006607275 1336538039 /nfs/dbraw/zinc/53/80/39/1336538039.db2.gz GPZUMYUJXKVUSQ-SFHVURJKSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1cc(C[N@H+]2CCC[C@H](NC(=O)C3CCCCC3)C2)ccc1F ZINC001006607275 1336538044 /nfs/dbraw/zinc/53/80/44/1336538044.db2.gz GPZUMYUJXKVUSQ-SFHVURJKSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](NC(=O)CC3CCCC3)C2)c1 ZINC001006640358 1336546011 /nfs/dbraw/zinc/54/60/11/1336546011.db2.gz UTLZLSLOHGALLY-GOSISDBHSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](NC(=O)CC3CCCC3)C2)c1 ZINC001006640358 1336546014 /nfs/dbraw/zinc/54/60/14/1336546014.db2.gz UTLZLSLOHGALLY-GOSISDBHSA-N 1 2 343.446 3.358 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)oc1C ZINC001007115542 1336645718 /nfs/dbraw/zinc/64/57/18/1336645718.db2.gz YYWJSDLGCUGTLR-LJQANCHMSA-N 1 2 336.435 3.142 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)oc1C ZINC001007115542 1336645720 /nfs/dbraw/zinc/64/57/20/1336645720.db2.gz YYWJSDLGCUGTLR-LJQANCHMSA-N 1 2 336.435 3.142 20 30 EGEDLO C=CCOc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(=C)Cl)C2)cc1 ZINC001007667760 1336686599 /nfs/dbraw/zinc/68/65/99/1336686599.db2.gz FLYSXOFQIYBOOF-MRXNPFEDSA-N 1 2 334.847 3.198 20 30 EGEDLO C=CCOc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=C)Cl)C2)cc1 ZINC001007667760 1336686600 /nfs/dbraw/zinc/68/66/00/1336686600.db2.gz FLYSXOFQIYBOOF-MRXNPFEDSA-N 1 2 334.847 3.198 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001007997128 1336745174 /nfs/dbraw/zinc/74/51/74/1336745174.db2.gz MKJGBWNFUMLMEP-ZIFCJYIRSA-N 1 2 332.875 3.297 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001007997128 1336745176 /nfs/dbraw/zinc/74/51/76/1336745176.db2.gz MKJGBWNFUMLMEP-ZIFCJYIRSA-N 1 2 332.875 3.297 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)C1 ZINC001008435899 1336852633 /nfs/dbraw/zinc/85/26/33/1336852633.db2.gz CEQFSEQTRQPFQF-OAHLLOKOSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)C1 ZINC001008435899 1336852634 /nfs/dbraw/zinc/85/26/34/1336852634.db2.gz CEQFSEQTRQPFQF-OAHLLOKOSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3F)C2)C1 ZINC001008437454 1336853210 /nfs/dbraw/zinc/85/32/10/1336853210.db2.gz MKHKEEJWKBUNTJ-INIZCTEOSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3F)C2)C1 ZINC001008437454 1336853216 /nfs/dbraw/zinc/85/32/16/1336853216.db2.gz MKHKEEJWKBUNTJ-INIZCTEOSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)C1 ZINC001008438496 1336853341 /nfs/dbraw/zinc/85/33/41/1336853341.db2.gz ZOQWEKOQMDLVPG-OAHLLOKOSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)C1 ZINC001008438496 1336853343 /nfs/dbraw/zinc/85/33/43/1336853343.db2.gz ZOQWEKOQMDLVPG-OAHLLOKOSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001008462481 1336862064 /nfs/dbraw/zinc/86/20/64/1336862064.db2.gz CRGLGOXJAHQIJZ-QGZVFWFLSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001008462481 1336862066 /nfs/dbraw/zinc/86/20/66/1336862066.db2.gz CRGLGOXJAHQIJZ-QGZVFWFLSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001008831118 1336932245 /nfs/dbraw/zinc/93/22/45/1336932245.db2.gz CJDJGKCAEGHAIU-BPQIPLTHSA-N 1 2 332.875 3.432 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001008831118 1336932247 /nfs/dbraw/zinc/93/22/47/1336932247.db2.gz CJDJGKCAEGHAIU-BPQIPLTHSA-N 1 2 332.875 3.432 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc3ccncc32)C1 ZINC001009044853 1336959765 /nfs/dbraw/zinc/95/97/65/1336959765.db2.gz LDHYENWMTCZHOM-OAHLLOKOSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccc3ccncc32)C1 ZINC001009044853 1336959766 /nfs/dbraw/zinc/95/97/66/1336959766.db2.gz LDHYENWMTCZHOM-OAHLLOKOSA-N 1 2 329.831 3.182 20 30 EGEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)C1(F)CCCCC1 ZINC001009088959 1336966847 /nfs/dbraw/zinc/96/68/47/1336966847.db2.gz UQTPCQFIFKBMIH-LJQANCHMSA-N 1 2 342.458 3.291 20 30 EGEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)C1(F)CCCCC1 ZINC001009088959 1336966850 /nfs/dbraw/zinc/96/68/50/1336966850.db2.gz UQTPCQFIFKBMIH-LJQANCHMSA-N 1 2 342.458 3.291 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3ccncc3c2)C1 ZINC001009102872 1336969732 /nfs/dbraw/zinc/96/97/32/1336969732.db2.gz KXVZCITZSCUXBJ-KRWDZBQOSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc3ccncc3c2)C1 ZINC001009102872 1336969733 /nfs/dbraw/zinc/96/97/33/1336969733.db2.gz KXVZCITZSCUXBJ-KRWDZBQOSA-N 1 2 329.831 3.182 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)co1 ZINC001010766595 1337255863 /nfs/dbraw/zinc/25/58/63/1337255863.db2.gz NVZOUUBVTOYYQW-GOSISDBHSA-N 1 2 342.826 3.097 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)co1 ZINC001010766595 1337255864 /nfs/dbraw/zinc/25/58/64/1337255864.db2.gz NVZOUUBVTOYYQW-GOSISDBHSA-N 1 2 342.826 3.097 20 30 EGEDLO Cc1sccc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001014363410 1337753047 /nfs/dbraw/zinc/75/30/47/1337753047.db2.gz QRKOOVCDNXFWSO-QGZVFWFLSA-N 1 2 342.439 3.051 20 30 EGEDLO Cc1sccc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001014363410 1337753049 /nfs/dbraw/zinc/75/30/49/1337753049.db2.gz QRKOOVCDNXFWSO-QGZVFWFLSA-N 1 2 342.439 3.051 20 30 EGEDLO CC1=C(C)C[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC001014541746 1337815269 /nfs/dbraw/zinc/81/52/69/1337815269.db2.gz GOJHQQXASUTZAZ-PXNSSMCTSA-N 1 2 337.467 3.385 20 30 EGEDLO CC1=C(C)C[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC001014541746 1337815272 /nfs/dbraw/zinc/81/52/72/1337815272.db2.gz GOJHQQXASUTZAZ-PXNSSMCTSA-N 1 2 337.467 3.385 20 30 EGEDLO Cc1scc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)c1C ZINC001014565997 1337827240 /nfs/dbraw/zinc/82/72/40/1337827240.db2.gz WRTKUSKQJXZFFJ-CYBMUJFWSA-N 1 2 345.493 3.302 20 30 EGEDLO Cc1scc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)c1C ZINC001014565997 1337827243 /nfs/dbraw/zinc/82/72/43/1337827243.db2.gz WRTKUSKQJXZFFJ-CYBMUJFWSA-N 1 2 345.493 3.302 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)s1 ZINC001014592174 1337841117 /nfs/dbraw/zinc/84/11/17/1337841117.db2.gz YWRSYISFWARWAQ-GOSISDBHSA-N 1 2 338.476 3.221 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)s1 ZINC001014592174 1337841121 /nfs/dbraw/zinc/84/11/21/1337841121.db2.gz YWRSYISFWARWAQ-GOSISDBHSA-N 1 2 338.476 3.221 20 30 EGEDLO Cc1coc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)c1 ZINC001015577295 1338189897 /nfs/dbraw/zinc/18/98/97/1338189897.db2.gz OAQGWGSARQVVHK-QGZVFWFLSA-N 1 2 342.826 3.097 20 30 EGEDLO Cc1coc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)c1 ZINC001015577295 1338189901 /nfs/dbraw/zinc/18/99/01/1338189901.db2.gz OAQGWGSARQVVHK-QGZVFWFLSA-N 1 2 342.826 3.097 20 30 EGEDLO Cc1coc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)c1 ZINC001015583834 1338194366 /nfs/dbraw/zinc/19/43/66/1338194366.db2.gz JUFZBZGBICWVGX-QGZVFWFLSA-N 1 2 342.826 3.097 20 30 EGEDLO Cc1coc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)c1 ZINC001015583834 1338194368 /nfs/dbraw/zinc/19/43/68/1338194368.db2.gz JUFZBZGBICWVGX-QGZVFWFLSA-N 1 2 342.826 3.097 20 30 EGEDLO CC(C)c1[nH]ccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001015585748 1338195320 /nfs/dbraw/zinc/19/53/20/1338195320.db2.gz CHJDCPSLJHCQBG-QGZVFWFLSA-N 1 2 336.439 3.014 20 30 EGEDLO CC(C)c1[nH]ccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001015585748 1338195325 /nfs/dbraw/zinc/19/53/25/1338195325.db2.gz CHJDCPSLJHCQBG-QGZVFWFLSA-N 1 2 336.439 3.014 20 30 EGEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ccoc1C1CC1 ZINC001015612338 1338207735 /nfs/dbraw/zinc/20/77/35/1338207735.db2.gz VVXVZRFGEGKXCH-SFHVURJKSA-N 1 2 334.419 3.013 20 30 EGEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ccoc1C1CC1 ZINC001015612338 1338207739 /nfs/dbraw/zinc/20/77/39/1338207739.db2.gz VVXVZRFGEGKXCH-SFHVURJKSA-N 1 2 334.419 3.013 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cc(O)ccc3Cl)C2)CC1 ZINC001015659749 1338238968 /nfs/dbraw/zinc/23/89/68/1338238968.db2.gz JRKOMUKQKBXPQN-INIZCTEOSA-N 1 2 348.874 3.483 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cc(O)ccc3Cl)C2)CC1 ZINC001015659749 1338238972 /nfs/dbraw/zinc/23/89/72/1338238972.db2.gz JRKOMUKQKBXPQN-INIZCTEOSA-N 1 2 348.874 3.483 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(c3ccccc3C)CCC2)C1 ZINC001016125562 1338470123 /nfs/dbraw/zinc/47/01/23/1338470123.db2.gz ZTILMTLUAFUMTK-MRXNPFEDSA-N 1 2 332.875 3.360 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(c3ccccc3C)CCC2)C1 ZINC001016125562 1338470126 /nfs/dbraw/zinc/47/01/26/1338470126.db2.gz ZTILMTLUAFUMTK-MRXNPFEDSA-N 1 2 332.875 3.360 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(COC(C)C)cc2)C1 ZINC001016229927 1338518286 /nfs/dbraw/zinc/51/82/86/1338518286.db2.gz QHRSIHPTATYBDM-QGZVFWFLSA-N 1 2 336.863 3.168 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(COC(C)C)cc2)C1 ZINC001016229927 1338518289 /nfs/dbraw/zinc/51/82/89/1338518289.db2.gz QHRSIHPTATYBDM-QGZVFWFLSA-N 1 2 336.863 3.168 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001016347010 1338560441 /nfs/dbraw/zinc/56/04/41/1338560441.db2.gz ZPMJWAOCIZCFQO-ZGIUJUBFSA-N 1 2 337.467 3.075 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001016347010 1338560446 /nfs/dbraw/zinc/56/04/46/1338560446.db2.gz ZPMJWAOCIZCFQO-ZGIUJUBFSA-N 1 2 337.467 3.075 20 30 EGEDLO CC1CCC(C)(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC001016371820 1338574866 /nfs/dbraw/zinc/57/48/66/1338574866.db2.gz JZKXSKJJKJZBHT-BSLVTKGXSA-N 1 2 339.483 3.465 20 30 EGEDLO CC1CCC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC001016371820 1338574869 /nfs/dbraw/zinc/57/48/69/1338574869.db2.gz JZKXSKJJKJZBHT-BSLVTKGXSA-N 1 2 339.483 3.465 20 30 EGEDLO CC(C)c1occc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001016377830 1338580446 /nfs/dbraw/zinc/58/04/46/1338580446.db2.gz INPJXLUHSXOXAV-CYBMUJFWSA-N 1 2 343.452 3.340 20 30 EGEDLO CC(C)c1occc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001016377830 1338580447 /nfs/dbraw/zinc/58/04/47/1338580447.db2.gz INPJXLUHSXOXAV-CYBMUJFWSA-N 1 2 343.452 3.340 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(C)(F)F)cc2)C1 ZINC001016439950 1338602112 /nfs/dbraw/zinc/60/21/12/1338602112.db2.gz DITFOVDWSNEPTJ-AWEZNQCLSA-N 1 2 328.790 3.355 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(C)(F)F)cc2)C1 ZINC001016439950 1338602116 /nfs/dbraw/zinc/60/21/16/1338602116.db2.gz DITFOVDWSNEPTJ-AWEZNQCLSA-N 1 2 328.790 3.355 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)c(F)ccc1Cl ZINC001017691749 1339392085 /nfs/dbraw/zinc/39/20/85/1339392085.db2.gz ZZCXKSYQGXNYAQ-OKILXGFUSA-N 1 2 334.822 3.100 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)c(F)ccc1Cl ZINC001017691749 1339392087 /nfs/dbraw/zinc/39/20/87/1339392087.db2.gz ZZCXKSYQGXNYAQ-OKILXGFUSA-N 1 2 334.822 3.100 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C(C)(C)C)oc1C ZINC001018000222 1339479556 /nfs/dbraw/zinc/47/95/56/1339479556.db2.gz HTULMTKJZYRTHW-IYBDPMFKSA-N 1 2 328.456 3.198 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C(C)(C)C)oc1C ZINC001018000222 1339479558 /nfs/dbraw/zinc/47/95/58/1339479558.db2.gz HTULMTKJZYRTHW-IYBDPMFKSA-N 1 2 328.456 3.198 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1O[C@@H](C)CC ZINC001018007972 1339481009 /nfs/dbraw/zinc/48/10/09/1339481009.db2.gz VUKKAZOTINAOOF-OKZBNKHCSA-N 1 2 340.467 3.176 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1O[C@@H](C)CC ZINC001018007972 1339481011 /nfs/dbraw/zinc/48/10/11/1339481011.db2.gz VUKKAZOTINAOOF-OKZBNKHCSA-N 1 2 340.467 3.176 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001028121956 1340441355 /nfs/dbraw/zinc/44/13/55/1340441355.db2.gz BQIAWAXEDLQMNC-UONOGXRCSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001028121956 1340441358 /nfs/dbraw/zinc/44/13/58/1340441358.db2.gz BQIAWAXEDLQMNC-UONOGXRCSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(N2CC=CC2)c1 ZINC001028169987 1340465259 /nfs/dbraw/zinc/46/52/59/1340465259.db2.gz INKPEEYTRNEDPX-GOSISDBHSA-N 1 2 345.874 3.010 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(N2CC=CC2)c1 ZINC001028169987 1340465260 /nfs/dbraw/zinc/46/52/60/1340465260.db2.gz INKPEEYTRNEDPX-GOSISDBHSA-N 1 2 345.874 3.010 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc2c(C)cccn2c1 ZINC001028258425 1340516515 /nfs/dbraw/zinc/51/65/15/1340516515.db2.gz RYGFWKFSOYHXGM-MRXNPFEDSA-N 1 2 331.847 3.194 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(C)cccn2c1 ZINC001028258425 1340516517 /nfs/dbraw/zinc/51/65/17/1340516517.db2.gz RYGFWKFSOYHXGM-MRXNPFEDSA-N 1 2 331.847 3.194 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc2nc(C)ccc2o1 ZINC001028278310 1340531932 /nfs/dbraw/zinc/53/19/32/1340531932.db2.gz KNNZSBRXVQZOBB-CYBMUJFWSA-N 1 2 333.819 3.083 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2nc(C)ccc2o1 ZINC001028278310 1340531934 /nfs/dbraw/zinc/53/19/34/1340531934.db2.gz KNNZSBRXVQZOBB-CYBMUJFWSA-N 1 2 333.819 3.083 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1OCC1CC1 ZINC001028332488 1340570343 /nfs/dbraw/zinc/57/03/43/1340570343.db2.gz VVCHDKKBMXXIEI-MRXNPFEDSA-N 1 2 348.874 3.422 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1OCC1CC1 ZINC001028332488 1340570351 /nfs/dbraw/zinc/57/03/51/1340570351.db2.gz VVCHDKKBMXXIEI-MRXNPFEDSA-N 1 2 348.874 3.422 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(N(C)CCC)cc1 ZINC001028348358 1340588296 /nfs/dbraw/zinc/58/82/96/1340588296.db2.gz AITWKYNNWOMUFE-SFHVURJKSA-N 1 2 349.906 3.480 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N(C)CCC)cc1 ZINC001028348358 1340588298 /nfs/dbraw/zinc/58/82/98/1340588298.db2.gz AITWKYNNWOMUFE-SFHVURJKSA-N 1 2 349.906 3.480 20 30 EGEDLO Cc1occc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029205011 1340954501 /nfs/dbraw/zinc/95/45/01/1340954501.db2.gz GDPHDTOYUUTYFV-OKILXGFUSA-N 1 2 341.436 3.010 20 30 EGEDLO Cc1occc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029205011 1340954502 /nfs/dbraw/zinc/95/45/02/1340954502.db2.gz GDPHDTOYUUTYFV-OKILXGFUSA-N 1 2 341.436 3.010 20 30 EGEDLO O=C([C@@H]1CCCC12CC2)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029358235 1340976879 /nfs/dbraw/zinc/97/68/79/1340976879.db2.gz LZCYOXCWHVYHNL-HBMCJLEFSA-N 1 2 348.490 3.294 20 30 EGEDLO O=C([C@@H]1CCCC12CC2)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029358235 1340976880 /nfs/dbraw/zinc/97/68/80/1340976880.db2.gz LZCYOXCWHVYHNL-HBMCJLEFSA-N 1 2 348.490 3.294 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1F ZINC001029422504 1340986570 /nfs/dbraw/zinc/98/65/70/1340986570.db2.gz KUXPMBGNISCWLC-CALCHBBNSA-N 1 2 341.430 3.085 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1F ZINC001029422504 1340986571 /nfs/dbraw/zinc/98/65/71/1340986571.db2.gz KUXPMBGNISCWLC-CALCHBBNSA-N 1 2 341.430 3.085 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001029423126 1340986633 /nfs/dbraw/zinc/98/66/33/1340986633.db2.gz QKHKXFBTQRKSCO-CALCHBBNSA-N 1 2 341.430 3.085 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001029423126 1340986634 /nfs/dbraw/zinc/98/66/34/1340986634.db2.gz QKHKXFBTQRKSCO-CALCHBBNSA-N 1 2 341.430 3.085 20 30 EGEDLO C=C1CCC(C(=O)NC2C[NH+](CCc3ccc(Cl)cc3)C2)CC1 ZINC001030903414 1341246574 /nfs/dbraw/zinc/24/65/74/1341246574.db2.gz FQLPWUQGLWAFKV-UHFFFAOYSA-N 1 2 332.875 3.429 20 30 EGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](Cc2cc(C)sc2C)C1 ZINC001031078842 1341275385 /nfs/dbraw/zinc/27/53/85/1341275385.db2.gz YXBHMGGZIUHRBW-ROUUACIJSA-N 1 2 348.512 3.037 20 30 EGEDLO C[C@@H]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031942026 1341427967 /nfs/dbraw/zinc/42/79/67/1341427967.db2.gz VBFHCXGTRYFBOF-RDTXWAMCSA-N 1 2 343.446 3.072 20 30 EGEDLO C=C1CCC(C(=O)NCC2C[NH+](Cc3ccc(F)c(F)c3)C2)CC1 ZINC001031951355 1341430350 /nfs/dbraw/zinc/43/03/50/1341430350.db2.gz FZNFWWWQNMNWAF-UHFFFAOYSA-N 1 2 334.410 3.259 20 30 EGEDLO CC[C@@H]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031953581 1341430851 /nfs/dbraw/zinc/43/08/51/1341430851.db2.gz MLWPVWDPEXDKTN-SJLPKXTDSA-N 1 2 343.446 3.072 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc3ccccc3n2CC)C1 ZINC001032201628 1341471819 /nfs/dbraw/zinc/47/18/19/1341471819.db2.gz CLFRGNXOKCMJDE-UHFFFAOYSA-N 1 2 331.847 3.075 20 30 EGEDLO Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)cs1 ZINC001032683986 1341580747 /nfs/dbraw/zinc/58/07/47/1341580747.db2.gz ZIAUOMKQJNTHBM-ROUUACIJSA-N 1 2 337.448 3.027 20 30 EGEDLO Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)cs1 ZINC001032683986 1341580749 /nfs/dbraw/zinc/58/07/49/1341580749.db2.gz ZIAUOMKQJNTHBM-ROUUACIJSA-N 1 2 337.448 3.027 20 30 EGEDLO C[C@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1)c1ccco1 ZINC001032736772 1341595633 /nfs/dbraw/zinc/59/56/33/1341595633.db2.gz FXNWPJZEKFYCNR-HOJAQTOUSA-N 1 2 348.446 3.110 20 30 EGEDLO C[C@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1)c1ccco1 ZINC001032736772 1341595636 /nfs/dbraw/zinc/59/56/36/1341595636.db2.gz FXNWPJZEKFYCNR-HOJAQTOUSA-N 1 2 348.446 3.110 20 30 EGEDLO CN(C(=O)C1CCCC1)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001032862161 1341637707 /nfs/dbraw/zinc/63/77/07/1341637707.db2.gz PVYRBOZABZSWNO-GOSISDBHSA-N 1 2 344.886 3.414 20 30 EGEDLO CN(C(=O)C1CCCC1)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001032862161 1341637711 /nfs/dbraw/zinc/63/77/11/1341637711.db2.gz PVYRBOZABZSWNO-GOSISDBHSA-N 1 2 344.886 3.414 20 30 EGEDLO CN(C(=O)c1ccoc1)[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001032908900 1341661515 /nfs/dbraw/zinc/66/15/15/1341661515.db2.gz GNKKWNHYXZDKAB-GOSISDBHSA-N 1 2 342.826 3.131 20 30 EGEDLO CN(C(=O)c1ccoc1)[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001032908900 1341661516 /nfs/dbraw/zinc/66/15/16/1341661516.db2.gz GNKKWNHYXZDKAB-GOSISDBHSA-N 1 2 342.826 3.131 20 30 EGEDLO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)oc1C ZINC001033002850 1341692934 /nfs/dbraw/zinc/69/29/34/1341692934.db2.gz XLFRRQIQHRSGTO-GOSISDBHSA-N 1 2 337.423 3.115 20 30 EGEDLO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)oc1C ZINC001033002850 1341692936 /nfs/dbraw/zinc/69/29/36/1341692936.db2.gz XLFRRQIQHRSGTO-GOSISDBHSA-N 1 2 337.423 3.115 20 30 EGEDLO CN(C(=O)c1ccoc1Cl)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033034349 1341703561 /nfs/dbraw/zinc/70/35/61/1341703561.db2.gz YJDPCVWVXGMPRX-HNNXBMFYSA-N 1 2 343.814 3.151 20 30 EGEDLO CN(C(=O)c1ccoc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033034349 1341703563 /nfs/dbraw/zinc/70/35/63/1341703563.db2.gz YJDPCVWVXGMPRX-HNNXBMFYSA-N 1 2 343.814 3.151 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2nc(C(C)C)oc2C)C1 ZINC001033074914 1341716669 /nfs/dbraw/zinc/71/66/69/1341716669.db2.gz CRJRPROMULFQDI-ZDUSSCGKSA-N 1 2 325.840 3.005 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2nc(C(C)C)oc2C)C1 ZINC001033074914 1341716671 /nfs/dbraw/zinc/71/66/71/1341716671.db2.gz CRJRPROMULFQDI-ZDUSSCGKSA-N 1 2 325.840 3.005 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccnn2C(CC)CC)C1 ZINC001033147958 1341739351 /nfs/dbraw/zinc/73/93/51/1341739351.db2.gz ALGVWZIXJFVSED-OAHLLOKOSA-N 1 2 338.883 3.143 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccnn2C(CC)CC)C1 ZINC001033147958 1341739352 /nfs/dbraw/zinc/73/93/52/1341739352.db2.gz ALGVWZIXJFVSED-OAHLLOKOSA-N 1 2 338.883 3.143 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCOc3ccccc32)C1 ZINC001033334504 1341786376 /nfs/dbraw/zinc/78/63/76/1341786376.db2.gz WRXJGNHLNWFOKS-CVEARBPZSA-N 1 2 348.874 3.228 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCOc3ccccc32)C1 ZINC001033334504 1341786379 /nfs/dbraw/zinc/78/63/79/1341786379.db2.gz WRXJGNHLNWFOKS-CVEARBPZSA-N 1 2 348.874 3.228 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ncoc3C(C)C)C2)C1 ZINC001033397821 1341812650 /nfs/dbraw/zinc/81/26/50/1341812650.db2.gz DOQKZXXIPBOZRV-OAHLLOKOSA-N 1 2 331.460 3.187 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ncoc3C(C)C)C2)C1 ZINC001033397821 1341812651 /nfs/dbraw/zinc/81/26/51/1341812651.db2.gz DOQKZXXIPBOZRV-OAHLLOKOSA-N 1 2 331.460 3.187 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C3CC3)nc2C)C1 ZINC001033433740 1341823223 /nfs/dbraw/zinc/82/32/23/1341823223.db2.gz ZYUBZGBIZZWEDB-HNNXBMFYSA-N 1 2 333.863 3.166 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C3CC3)nc2C)C1 ZINC001033433740 1341823225 /nfs/dbraw/zinc/82/32/25/1341823225.db2.gz ZYUBZGBIZZWEDB-HNNXBMFYSA-N 1 2 333.863 3.166 20 30 EGEDLO CN(C(=O)[C@@H]1CC12CC2)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033450963 1341829661 /nfs/dbraw/zinc/82/96/61/1341829661.db2.gz WLLMDIVLAZISAM-IRXDYDNUSA-N 1 2 342.870 3.024 20 30 EGEDLO CN(C(=O)[C@@H]1CC12CC2)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033450963 1341829663 /nfs/dbraw/zinc/82/96/63/1341829663.db2.gz WLLMDIVLAZISAM-IRXDYDNUSA-N 1 2 342.870 3.024 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc3ccncc32)C1 ZINC001033548383 1341866515 /nfs/dbraw/zinc/86/65/15/1341866515.db2.gz QCQUYSLYOZDHHZ-OAHLLOKOSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3ccncc32)C1 ZINC001033548383 1341866517 /nfs/dbraw/zinc/86/65/17/1341866517.db2.gz QCQUYSLYOZDHHZ-OAHLLOKOSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2c[nH]c3ccc(C)cc32)C1 ZINC001033691043 1341954955 /nfs/dbraw/zinc/95/49/55/1341954955.db2.gz RPEFHPUIUDRLPE-AWEZNQCLSA-N 1 2 331.847 3.375 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]c3ccc(C)cc32)C1 ZINC001033691043 1341954958 /nfs/dbraw/zinc/95/49/58/1341954958.db2.gz RPEFHPUIUDRLPE-AWEZNQCLSA-N 1 2 331.847 3.375 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2n[nH]c3ccc(C)cc32)C1 ZINC001033887952 1342060838 /nfs/dbraw/zinc/06/08/38/1342060838.db2.gz LIYSACGWHXHWAQ-AWEZNQCLSA-N 1 2 346.862 3.160 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2n[nH]c3ccc(C)cc32)C1 ZINC001033887952 1342060844 /nfs/dbraw/zinc/06/08/44/1342060844.db2.gz LIYSACGWHXHWAQ-AWEZNQCLSA-N 1 2 346.862 3.160 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001033907776 1342079281 /nfs/dbraw/zinc/07/92/81/1342079281.db2.gz JOHOGPOWRFHRGC-KBPBESRZSA-N 1 2 334.838 3.487 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001033907776 1342079285 /nfs/dbraw/zinc/07/92/85/1342079285.db2.gz JOHOGPOWRFHRGC-KBPBESRZSA-N 1 2 334.838 3.487 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2Cc3ccc(F)cc32)C1 ZINC001033935518 1342099034 /nfs/dbraw/zinc/09/90/34/1342099034.db2.gz GHMVZWIRLWVURC-RDJZCZTQSA-N 1 2 336.838 3.141 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2Cc3ccc(F)cc32)C1 ZINC001033935518 1342099035 /nfs/dbraw/zinc/09/90/35/1342099035.db2.gz GHMVZWIRLWVURC-RDJZCZTQSA-N 1 2 336.838 3.141 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+]([C@@H](C)c3ncccn3)C2)CC1 ZINC001033950521 1342109655 /nfs/dbraw/zinc/10/96/55/1342109655.db2.gz PJVSGBXDEJAHGN-FUHWJXTLSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@H+]([C@@H](C)c3ncccn3)C2)CC1 ZINC001033950521 1342109657 /nfs/dbraw/zinc/10/96/57/1342109657.db2.gz PJVSGBXDEJAHGN-FUHWJXTLSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2oc(C(C)C)nc2C)C1 ZINC001033978638 1342126885 /nfs/dbraw/zinc/12/68/85/1342126885.db2.gz AZOJKVAXIQJJRJ-CQSZACIVSA-N 1 2 339.867 3.395 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2oc(C(C)C)nc2C)C1 ZINC001033978638 1342126886 /nfs/dbraw/zinc/12/68/86/1342126886.db2.gz AZOJKVAXIQJJRJ-CQSZACIVSA-N 1 2 339.867 3.395 20 30 EGEDLO O=C(N[C@@H]1CCCC[N@@H+](CC#Cc2ccccc2Cl)C1)C1CCC1 ZINC001034069618 1342207811 /nfs/dbraw/zinc/20/78/11/1342207811.db2.gz KVPUSXUYRBQXES-GOSISDBHSA-N 1 2 344.886 3.462 20 30 EGEDLO O=C(N[C@@H]1CCCC[N@H+](CC#Cc2ccccc2Cl)C1)C1CCC1 ZINC001034069618 1342207813 /nfs/dbraw/zinc/20/78/13/1342207813.db2.gz KVPUSXUYRBQXES-GOSISDBHSA-N 1 2 344.886 3.462 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001034267237 1342358436 /nfs/dbraw/zinc/35/84/36/1342358436.db2.gz UCGCHKLWIUVZDF-ZFWWWQNUSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001034267237 1342358438 /nfs/dbraw/zinc/35/84/38/1342358438.db2.gz UCGCHKLWIUVZDF-ZFWWWQNUSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2COC)C1 ZINC001034285717 1342373008 /nfs/dbraw/zinc/37/30/08/1342373008.db2.gz FHHZOZDVMHPRCF-MRXNPFEDSA-N 1 2 336.863 3.170 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2COC)C1 ZINC001034285717 1342373012 /nfs/dbraw/zinc/37/30/12/1342373012.db2.gz FHHZOZDVMHPRCF-MRXNPFEDSA-N 1 2 336.863 3.170 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(-c3ccco3)on2)C1 ZINC001034337757 1342411524 /nfs/dbraw/zinc/41/15/24/1342411524.db2.gz QGAZSIYSEPJJLF-CYBMUJFWSA-N 1 2 349.818 3.271 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(-c3ccco3)on2)C1 ZINC001034337757 1342411527 /nfs/dbraw/zinc/41/15/27/1342411527.db2.gz QGAZSIYSEPJJLF-CYBMUJFWSA-N 1 2 349.818 3.271 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@@H+]([C@@H](C)c3nnc(C)s3)C2)C1 ZINC001034388009 1342457136 /nfs/dbraw/zinc/45/71/36/1342457136.db2.gz AROMEWIRDSTESL-DZGCQCFKSA-N 1 2 348.516 3.235 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@H+]([C@@H](C)c3nnc(C)s3)C2)C1 ZINC001034388009 1342457139 /nfs/dbraw/zinc/45/71/39/1342457139.db2.gz AROMEWIRDSTESL-DZGCQCFKSA-N 1 2 348.516 3.235 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@@H+](Cc3ncc(C)s3)C2)C1 ZINC001034389691 1342459703 /nfs/dbraw/zinc/45/97/03/1342459703.db2.gz UEYNLIPSORMUTH-OAHLLOKOSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@H+](Cc3ncc(C)s3)C2)C1 ZINC001034389691 1342459707 /nfs/dbraw/zinc/45/97/07/1342459707.db2.gz UEYNLIPSORMUTH-OAHLLOKOSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ncoc2C(C)(C)C)C1 ZINC001034479091 1342535462 /nfs/dbraw/zinc/53/54/62/1342535462.db2.gz RGXAJIFEJZDWLG-CYBMUJFWSA-N 1 2 339.867 3.309 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ncoc2C(C)(C)C)C1 ZINC001034479091 1342535466 /nfs/dbraw/zinc/53/54/66/1342535466.db2.gz RGXAJIFEJZDWLG-CYBMUJFWSA-N 1 2 339.867 3.309 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2c(C)nsc2C)C1 ZINC001034544354 1342606048 /nfs/dbraw/zinc/60/60/48/1342606048.db2.gz NQTMUEKEKOIRKD-CYBMUJFWSA-N 1 2 327.881 3.097 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2c(C)nsc2C)C1 ZINC001034544354 1342606051 /nfs/dbraw/zinc/60/60/51/1342606051.db2.gz NQTMUEKEKOIRKD-CYBMUJFWSA-N 1 2 327.881 3.097 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(CCCC)no1 ZINC001035035754 1342889584 /nfs/dbraw/zinc/88/95/84/1342889584.db2.gz PJLXCARZPDDUBO-BEFAXECRSA-N 1 2 348.491 3.095 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2CCC(C(C)(C)C)CC2)C1 ZINC001035599272 1343098286 /nfs/dbraw/zinc/09/82/86/1343098286.db2.gz DDQUMFNBPUOTJF-ABHNRTSZSA-N 1 2 336.520 3.232 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C2CCC(C(C)(C)C)CC2)C1 ZINC001035599272 1343098289 /nfs/dbraw/zinc/09/82/89/1343098289.db2.gz DDQUMFNBPUOTJF-ABHNRTSZSA-N 1 2 336.520 3.232 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC2(C[NH+](Cc3ccnc(Cl)c3)C2)CC1 ZINC001035769100 1343181923 /nfs/dbraw/zinc/18/19/23/1343181923.db2.gz TUYUEYKTHVFMFI-UHFFFAOYSA-N 1 2 347.890 3.372 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cc3ccccn3c1)CC2 ZINC001035809322 1343209233 /nfs/dbraw/zinc/20/92/33/1343209233.db2.gz NOQDEZJTJNKTPK-UHFFFAOYSA-N 1 2 343.858 3.230 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[C@H]1C1CCCC1)CC2 ZINC001035825801 1343215865 /nfs/dbraw/zinc/21/58/65/1343215865.db2.gz AYZZPNGIBPKGRE-IRXDYDNUSA-N 1 2 336.907 3.490 20 30 EGEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001038542244 1344475660 /nfs/dbraw/zinc/47/56/60/1344475660.db2.gz ZOPUVLHQHPOOLL-XSDIEEQYSA-N 1 2 336.479 3.055 20 30 EGEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001038542244 1344475662 /nfs/dbraw/zinc/47/56/62/1344475662.db2.gz ZOPUVLHQHPOOLL-XSDIEEQYSA-N 1 2 336.479 3.055 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]2Cc2oc(CCC)nc2C)CC1 ZINC001038661650 1344527338 /nfs/dbraw/zinc/52/73/38/1344527338.db2.gz LZRZVFVYHBGNMZ-QGZVFWFLSA-N 1 2 345.487 3.372 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2Cc2oc(CCC)nc2C)CC1 ZINC001038661650 1344527340 /nfs/dbraw/zinc/52/73/40/1344527340.db2.gz LZRZVFVYHBGNMZ-QGZVFWFLSA-N 1 2 345.487 3.372 20 30 EGEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)c1cccc2[nH]ccc21 ZINC001038733287 1344558514 /nfs/dbraw/zinc/55/85/14/1344558514.db2.gz FMAHUWHZUJSKTE-GOSISDBHSA-N 1 2 343.430 3.024 20 30 EGEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)c1cccc2[nH]ccc21 ZINC001038733287 1344558519 /nfs/dbraw/zinc/55/85/19/1344558519.db2.gz FMAHUWHZUJSKTE-GOSISDBHSA-N 1 2 343.430 3.024 20 30 EGEDLO Cc1cc(C)cc(C(=O)NC[C@H]2CC[N@@H+]2CC#Cc2ccccc2)c1 ZINC001038962563 1344685459 /nfs/dbraw/zinc/68/54/59/1344685459.db2.gz YYWSDUOUEVJGBV-OAQYLSRUSA-N 1 2 332.447 3.159 20 30 EGEDLO Cc1cc(C)cc(C(=O)NC[C@H]2CC[N@H+]2CC#Cc2ccccc2)c1 ZINC001038962563 1344685462 /nfs/dbraw/zinc/68/54/62/1344685462.db2.gz YYWSDUOUEVJGBV-OAQYLSRUSA-N 1 2 332.447 3.159 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2CC3CCC2CC3)s1 ZINC001039048467 1344734168 /nfs/dbraw/zinc/73/41/68/1344734168.db2.gz IGNWAPIAHJMEEF-HNFMNYKYSA-N 1 2 343.496 3.137 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CC3CCC2CC3)s1 ZINC001039048467 1344734171 /nfs/dbraw/zinc/73/41/71/1344734171.db2.gz IGNWAPIAHJMEEF-HNFMNYKYSA-N 1 2 343.496 3.137 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001039377081 1345033456 /nfs/dbraw/zinc/03/34/56/1345033456.db2.gz COTSGRGUVYFFJK-VSZNYVQBSA-N 1 2 345.874 3.003 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001039377081 1345033458 /nfs/dbraw/zinc/03/34/58/1345033458.db2.gz COTSGRGUVYFFJK-VSZNYVQBSA-N 1 2 345.874 3.003 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c(c1)COC2 ZINC001039450743 1345074319 /nfs/dbraw/zinc/07/43/19/1345074319.db2.gz REXQTUSPPYJEGM-MSOLQXFVSA-N 1 2 346.858 3.148 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c(c1)COC2 ZINC001039450743 1345074321 /nfs/dbraw/zinc/07/43/21/1345074321.db2.gz REXQTUSPPYJEGM-MSOLQXFVSA-N 1 2 346.858 3.148 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccnc1 ZINC001039609535 1345150245 /nfs/dbraw/zinc/15/02/45/1345150245.db2.gz XGPVHFWNGFCMBB-CALCHBBNSA-N 1 2 347.890 3.426 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccnc1 ZINC001039609535 1345150248 /nfs/dbraw/zinc/15/02/48/1345150248.db2.gz XGPVHFWNGFCMBB-CALCHBBNSA-N 1 2 347.890 3.426 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@@H](CNc3cc[nH+]c(C)n3)[C@@H](C)C2)CC1 ZINC001040448572 1345505804 /nfs/dbraw/zinc/50/58/04/1345505804.db2.gz RGFUAYFXZYCGOZ-YJBOKZPZSA-N 1 2 342.487 3.428 20 30 EGEDLO C=C(C)CC[NH+]1CCC2(CCN(C(=O)C(F)C(F)(F)F)C2)CC1 ZINC001040709935 1345568747 /nfs/dbraw/zinc/56/87/47/1345568747.db2.gz HIQFCDRSGXFMBO-ZDUSSCGKSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H](F)C(F)(F)F)C2)CC1 ZINC001040709935 1345568749 /nfs/dbraw/zinc/56/87/49/1345568749.db2.gz HIQFCDRSGXFMBO-ZDUSSCGKSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)CC)C[C@@H]21 ZINC001042207157 1345985504 /nfs/dbraw/zinc/98/55/04/1345985504.db2.gz MSIKOILPMNDTMS-KBPBESRZSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)CC)C[C@@H]21 ZINC001042207157 1345985505 /nfs/dbraw/zinc/98/55/05/1345985505.db2.gz MSIKOILPMNDTMS-KBPBESRZSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)C3(CC)CC3)C[C@H]21 ZINC001042220758 1345991783 /nfs/dbraw/zinc/99/17/83/1345991783.db2.gz FEGNLBLRYFSSTQ-ZIAGYGMSSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3(CC)CC3)C[C@H]21 ZINC001042220758 1345991784 /nfs/dbraw/zinc/99/17/84/1345991784.db2.gz FEGNLBLRYFSSTQ-ZIAGYGMSSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(C(C)C)no3)C[C@H]21 ZINC001042257686 1346008310 /nfs/dbraw/zinc/00/83/10/1346008310.db2.gz KXRSNMBJSBASBH-DZGCQCFKSA-N 1 2 337.851 3.087 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(C(C)C)no3)C[C@H]21 ZINC001042257686 1346008313 /nfs/dbraw/zinc/00/83/13/1346008313.db2.gz KXRSNMBJSBASBH-DZGCQCFKSA-N 1 2 337.851 3.087 20 30 EGEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](Cc3ccc4cc[nH]c4c3)C2)cc1 ZINC001043505935 1346184485 /nfs/dbraw/zinc/18/44/85/1346184485.db2.gz KOUXYVWYGKKHAH-UHFFFAOYSA-N 1 2 343.430 3.106 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](CCOc3cc(C)ccc3C)C2)C1 ZINC001043796935 1346210511 /nfs/dbraw/zinc/21/05/11/1346210511.db2.gz UZTROLOWUNVDBN-UHFFFAOYSA-N 1 2 342.483 3.181 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+]([C@H]3CCc4ccc(F)cc43)C2)C1 ZINC001043810259 1346212162 /nfs/dbraw/zinc/21/21/62/1346212162.db2.gz GEGRSNUCORIADA-SFHVURJKSA-N 1 2 328.431 3.312 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@H]2CCC2(C)C)CC1 ZINC001045527328 1346617087 /nfs/dbraw/zinc/61/70/87/1346617087.db2.gz IPELYBWGRYSFJG-CYBMUJFWSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(C)c3ccccc3n2)C1 ZINC001046423749 1346972399 /nfs/dbraw/zinc/97/23/99/1346972399.db2.gz QKBHTHUFZZDJRO-LJQANCHMSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C)c3ccccc3n2)C1 ZINC001046423749 1346972400 /nfs/dbraw/zinc/97/24/00/1346972400.db2.gz QKBHTHUFZZDJRO-LJQANCHMSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001046426942 1346973629 /nfs/dbraw/zinc/97/36/29/1346973629.db2.gz ZURSAXRKZXUTBE-IEBWSBKVSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001046426942 1346973630 /nfs/dbraw/zinc/97/36/30/1346973630.db2.gz ZURSAXRKZXUTBE-IEBWSBKVSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(OC(C)C)cc2)C1 ZINC001046816566 1347116101 /nfs/dbraw/zinc/11/61/01/1347116101.db2.gz OAYRSWGQCIRUBV-SFHVURJKSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(OC(C)C)cc2)C1 ZINC001046816566 1347116103 /nfs/dbraw/zinc/11/61/03/1347116103.db2.gz OAYRSWGQCIRUBV-SFHVURJKSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001046919161 1347153874 /nfs/dbraw/zinc/15/38/74/1347153874.db2.gz PXUHOQXVNXKWDC-UONOGXRCSA-N 1 2 332.822 3.169 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001046919161 1347153877 /nfs/dbraw/zinc/15/38/77/1347153877.db2.gz PXUHOQXVNXKWDC-UONOGXRCSA-N 1 2 332.822 3.169 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1conc1C(C)C ZINC001049516612 1347887912 /nfs/dbraw/zinc/88/79/12/1347887912.db2.gz DQQOLZIMEXXJME-HUUCEWRRSA-N 1 2 337.851 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1conc1C(C)C ZINC001049516612 1347887916 /nfs/dbraw/zinc/88/79/16/1347887916.db2.gz DQQOLZIMEXXJME-HUUCEWRRSA-N 1 2 337.851 3.229 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1c(C)onc1C1CC1 ZINC001049598222 1347929937 /nfs/dbraw/zinc/92/99/37/1347929937.db2.gz LKPAMQFTHCTSGG-GJZGRUSLSA-N 1 2 349.862 3.292 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1c(C)onc1C1CC1 ZINC001049598222 1347929939 /nfs/dbraw/zinc/92/99/39/1347929939.db2.gz LKPAMQFTHCTSGG-GJZGRUSLSA-N 1 2 349.862 3.292 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc2ncccc2o1 ZINC001049602377 1347931856 /nfs/dbraw/zinc/93/18/56/1347931856.db2.gz MVOIZOTYIWJAPM-LSDHHAIUSA-N 1 2 345.830 3.259 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc2ncccc2o1 ZINC001049602377 1347931860 /nfs/dbraw/zinc/93/18/60/1347931860.db2.gz MVOIZOTYIWJAPM-LSDHHAIUSA-N 1 2 345.830 3.259 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(OC)cs1 ZINC001049633518 1347945441 /nfs/dbraw/zinc/94/54/41/1347945441.db2.gz JMLOBTWCLDIOAK-KBPBESRZSA-N 1 2 340.876 3.188 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(OC)cs1 ZINC001049633518 1347945444 /nfs/dbraw/zinc/94/54/44/1347945444.db2.gz JMLOBTWCLDIOAK-KBPBESRZSA-N 1 2 340.876 3.188 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cscn1 ZINC001049637579 1347947019 /nfs/dbraw/zinc/94/70/19/1347947019.db2.gz HPDHZVPHFJBMEZ-HZPDHXFCSA-N 1 2 333.501 3.311 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1cscn1 ZINC001049637579 1347947020 /nfs/dbraw/zinc/94/70/20/1347947020.db2.gz HPDHZVPHFJBMEZ-HZPDHXFCSA-N 1 2 333.501 3.311 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3Cc2ncc(CC)o2)C1 ZINC001049709689 1347985459 /nfs/dbraw/zinc/98/54/59/1347985459.db2.gz RUPXPIJNFNLZBE-DLBZAZTESA-N 1 2 343.471 3.159 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3Cc2ncc(CC)o2)C1 ZINC001049709689 1347985462 /nfs/dbraw/zinc/98/54/62/1347985462.db2.gz RUPXPIJNFNLZBE-DLBZAZTESA-N 1 2 343.471 3.159 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3Cc2ncc(CC)o2)C1 ZINC001049709704 1347985649 /nfs/dbraw/zinc/98/56/49/1347985649.db2.gz RUPXPIJNFNLZBE-SJORKVTESA-N 1 2 343.471 3.159 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3Cc2ncc(CC)o2)C1 ZINC001049709704 1347985650 /nfs/dbraw/zinc/98/56/50/1347985650.db2.gz RUPXPIJNFNLZBE-SJORKVTESA-N 1 2 343.471 3.159 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2conc2C2CCCC2)C1 ZINC001079833232 1357392469 /nfs/dbraw/zinc/39/24/69/1357392469.db2.gz CGMDSWISOBSAQA-IAQYHMDHSA-N 1 2 337.851 3.135 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2conc2C2CCCC2)C1 ZINC001079833232 1357392473 /nfs/dbraw/zinc/39/24/73/1357392473.db2.gz CGMDSWISOBSAQA-IAQYHMDHSA-N 1 2 337.851 3.135 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(C2CCCC2)cc1 ZINC001051024636 1348385011 /nfs/dbraw/zinc/38/50/11/1348385011.db2.gz DKBIMWPLTQZHFS-HXUWFJFHSA-N 1 2 342.483 3.351 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(C2CCCC2)cc1 ZINC001051024636 1348385015 /nfs/dbraw/zinc/38/50/15/1348385015.db2.gz DKBIMWPLTQZHFS-HXUWFJFHSA-N 1 2 342.483 3.351 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc(C)c1Cl ZINC001051174388 1348400102 /nfs/dbraw/zinc/40/01/02/1348400102.db2.gz IALOOEZZOZNITL-OAHLLOKOSA-N 1 2 336.863 3.045 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cccc(C)c1Cl ZINC001051174388 1348400103 /nfs/dbraw/zinc/40/01/03/1348400103.db2.gz IALOOEZZOZNITL-OAHLLOKOSA-N 1 2 336.863 3.045 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc2cc(C)ccc2o1 ZINC001051254718 1348409781 /nfs/dbraw/zinc/40/97/81/1348409781.db2.gz KZLUYNGVQYGHCA-QGZVFWFLSA-N 1 2 342.439 3.138 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cc2cc(C)ccc2o1 ZINC001051254718 1348409782 /nfs/dbraw/zinc/40/97/82/1348409782.db2.gz KZLUYNGVQYGHCA-QGZVFWFLSA-N 1 2 342.439 3.138 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc2cccc(Cl)c2o1 ZINC001051270094 1348412584 /nfs/dbraw/zinc/41/25/84/1348412584.db2.gz IQFCFIFZAKPAFH-AWEZNQCLSA-N 1 2 348.830 3.093 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc2cccc(Cl)c2o1 ZINC001051270094 1348412586 /nfs/dbraw/zinc/41/25/86/1348412586.db2.gz IQFCFIFZAKPAFH-AWEZNQCLSA-N 1 2 348.830 3.093 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)[C@@H]3CC34CC4)cccc2C1 ZINC001051302894 1348426482 /nfs/dbraw/zinc/42/64/82/1348426482.db2.gz RJZMJPOGHMSTNG-KRWDZBQOSA-N 1 2 330.859 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)[C@@H]3CC34CC4)cccc2C1 ZINC001051302894 1348426483 /nfs/dbraw/zinc/42/64/83/1348426483.db2.gz RJZMJPOGHMSTNG-KRWDZBQOSA-N 1 2 330.859 3.214 20 30 EGEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)CCC3CCCCC3)C2)CC1 ZINC001052113570 1348503549 /nfs/dbraw/zinc/50/35/49/1348503549.db2.gz ZMWDWRVRINCBNP-FQEVSTJZSA-N 1 2 347.547 3.142 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc3ccccc3s1)CCO2 ZINC001053331264 1349004186 /nfs/dbraw/zinc/00/41/86/1349004186.db2.gz QEHGDHZVWSJXDW-UHFFFAOYSA-N 1 2 342.464 3.004 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc(C)c(C)c1Cl)CCO2 ZINC001053505889 1349050478 /nfs/dbraw/zinc/05/04/78/1349050478.db2.gz KMNHRVTVMFTWTE-UHFFFAOYSA-N 1 2 348.874 3.060 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc(C(C)(C)C)cc1)CCO2 ZINC001053516067 1349052698 /nfs/dbraw/zinc/05/26/98/1349052698.db2.gz ANKHCABWAJMSNA-UHFFFAOYSA-N 1 2 342.483 3.087 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(C(C)C)s1)O2 ZINC001053701832 1349099096 /nfs/dbraw/zinc/09/90/96/1349099096.db2.gz GZMNHGPBWJRDNB-OAHLLOKOSA-N 1 2 348.512 3.411 20 30 EGEDLO C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(C(C)C)on1 ZINC001054048350 1349138555 /nfs/dbraw/zinc/13/85/55/1349138555.db2.gz ZSXNEWCACDVPJV-KRWDZBQOSA-N 1 2 339.439 3.141 20 30 EGEDLO C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(C(C)C)on1 ZINC001054048350 1349138558 /nfs/dbraw/zinc/13/85/58/1349138558.db2.gz ZSXNEWCACDVPJV-KRWDZBQOSA-N 1 2 339.439 3.141 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3[C@H](C=C(C)C)C3(C)C)cc2C1 ZINC001054273417 1349273210 /nfs/dbraw/zinc/27/32/10/1349273210.db2.gz JLESMOZZBBFMLX-PMACEKPBSA-N 1 2 336.479 3.490 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3[C@H](C=C(C)C)C3(C)C)cc2C1 ZINC001054273417 1349273212 /nfs/dbraw/zinc/27/32/12/1349273212.db2.gz JLESMOZZBBFMLX-PMACEKPBSA-N 1 2 336.479 3.490 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)C3CCC(C4CC4)CC3)cc2C1 ZINC001054291359 1349297087 /nfs/dbraw/zinc/29/70/87/1349297087.db2.gz JWVMEHNMHFOTMN-UHFFFAOYSA-N 1 2 336.479 3.468 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)C3CCC(C4CC4)CC3)cc2C1 ZINC001054291359 1349297089 /nfs/dbraw/zinc/29/70/89/1349297089.db2.gz JWVMEHNMHFOTMN-UHFFFAOYSA-N 1 2 336.479 3.468 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC001080062873 1357473335 /nfs/dbraw/zinc/47/33/35/1357473335.db2.gz BCUDHBIUIZDLHL-RDTXWAMCSA-N 1 2 343.858 3.280 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC001080062873 1357473336 /nfs/dbraw/zinc/47/33/36/1357473336.db2.gz BCUDHBIUIZDLHL-RDTXWAMCSA-N 1 2 343.858 3.280 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(c3ccccc3)CCC2)C1 ZINC001080081233 1357478481 /nfs/dbraw/zinc/47/84/81/1357478481.db2.gz NAMFSWCUBCBCGZ-RHSMWYFYSA-N 1 2 332.875 3.297 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(c3ccccc3)CCC2)C1 ZINC001080081233 1357478483 /nfs/dbraw/zinc/47/84/83/1357478483.db2.gz NAMFSWCUBCBCGZ-RHSMWYFYSA-N 1 2 332.875 3.297 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@@H](Nc3cc(C)[nH+]c(C4CC4)n3)C2)C1 ZINC001056772749 1349935074 /nfs/dbraw/zinc/93/50/74/1349935074.db2.gz XCRNSEBCNLSTEK-OAHLLOKOSA-N 1 2 326.444 3.032 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001080142001 1357499895 /nfs/dbraw/zinc/49/98/95/1357499895.db2.gz AALHZURQTLUVJW-ZTFRIQLXSA-N 1 2 336.838 3.045 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001080142001 1357499898 /nfs/dbraw/zinc/49/98/98/1357499898.db2.gz AALHZURQTLUVJW-ZTFRIQLXSA-N 1 2 336.838 3.045 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccsc2I)C1 ZINC001233149387 1376575774 /nfs/dbraw/zinc/57/57/74/1376575774.db2.gz FZBNDRXMTPUQRK-JTQLQIEISA-N 1 2 346.237 3.478 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccsc2I)C1 ZINC001233149387 1376575778 /nfs/dbraw/zinc/57/57/78/1376575778.db2.gz FZBNDRXMTPUQRK-JTQLQIEISA-N 1 2 346.237 3.478 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C)nc2C(C)C)C1 ZINC001080209847 1357522550 /nfs/dbraw/zinc/52/25/50/1357522550.db2.gz FVVMLUYXEYQADB-MLGOLLRUSA-N 1 2 335.879 3.316 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C)nc2C(C)C)C1 ZINC001080209847 1357522551 /nfs/dbraw/zinc/52/25/51/1357522551.db2.gz FVVMLUYXEYQADB-MLGOLLRUSA-N 1 2 335.879 3.316 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC001080222600 1357527577 /nfs/dbraw/zinc/52/75/77/1357527577.db2.gz XVQKEPLUBGOPIT-RDDDGLTNSA-N 1 2 336.650 3.124 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC001080222600 1357527581 /nfs/dbraw/zinc/52/75/81/1357527581.db2.gz XVQKEPLUBGOPIT-RDDDGLTNSA-N 1 2 336.650 3.124 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cncc3sccc32)C1 ZINC001080319803 1357572496 /nfs/dbraw/zinc/57/24/96/1357572496.db2.gz YHZOVIJCHVIHDA-QMTHXVAHSA-N 1 2 335.860 3.099 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cncc3sccc32)C1 ZINC001080319803 1357572498 /nfs/dbraw/zinc/57/24/98/1357572498.db2.gz YHZOVIJCHVIHDA-QMTHXVAHSA-N 1 2 335.860 3.099 20 30 EGEDLO C=CCCOCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1C/C=C/Cl ZINC001234275055 1376798285 /nfs/dbraw/zinc/79/82/85/1376798285.db2.gz ASRRIPGOCPNLJH-JCVNQNCUSA-N 1 2 328.884 3.035 20 30 EGEDLO C=CCCOCCCCC(=O)N(C)C[C@@H]1CC[N@H+]1C/C=C/Cl ZINC001234275055 1376798291 /nfs/dbraw/zinc/79/82/91/1376798291.db2.gz ASRRIPGOCPNLJH-JCVNQNCUSA-N 1 2 328.884 3.035 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CCN2c1nc(C)[nH+]c(C)c1C ZINC001066171695 1352992559 /nfs/dbraw/zinc/99/25/59/1352992559.db2.gz HJWUAIIEKVABCJ-IRXDYDNUSA-N 1 2 342.487 3.184 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2csc(C(C)C)n2)C1 ZINC001080626504 1357706384 /nfs/dbraw/zinc/70/63/84/1357706384.db2.gz RGUZOYKNJHADAE-ZYHUDNBSSA-N 1 2 327.881 3.069 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2csc(C(C)C)n2)C1 ZINC001080626504 1357706387 /nfs/dbraw/zinc/70/63/87/1357706387.db2.gz RGUZOYKNJHADAE-ZYHUDNBSSA-N 1 2 327.881 3.069 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H](CNc3cc(C)[nH+]c(C4CC4)n3)C2)C1 ZINC001068584043 1353742890 /nfs/dbraw/zinc/74/28/90/1353742890.db2.gz AICOBAAYMHIZOK-KOMQPUFPSA-N 1 2 340.471 3.325 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1CCC(F)(F)C1 ZINC001085632733 1358648152 /nfs/dbraw/zinc/64/81/52/1358648152.db2.gz CLOIQGJFVIWUHP-PBHICJAKSA-N 1 2 347.409 3.026 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1CCC(F)(F)C1 ZINC001085632733 1358648155 /nfs/dbraw/zinc/64/81/55/1358648155.db2.gz CLOIQGJFVIWUHP-PBHICJAKSA-N 1 2 347.409 3.026 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C2CCC2)C[N@@H+]1CC#Cc1ccccc1Cl ZINC001071302243 1354557625 /nfs/dbraw/zinc/55/76/25/1354557625.db2.gz GOWQCINDQYFECZ-MAUKXSAKSA-N 1 2 344.886 3.461 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C2CCC2)C[N@H+]1CC#Cc1ccccc1Cl ZINC001071302243 1354557628 /nfs/dbraw/zinc/55/76/28/1354557628.db2.gz GOWQCINDQYFECZ-MAUKXSAKSA-N 1 2 344.886 3.461 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)CC2CC2)C[N@@H+]1CC#Cc1ccccc1Cl ZINC001071308358 1354565890 /nfs/dbraw/zinc/56/58/90/1354565890.db2.gz SNBZFLONWYLYSK-YJBOKZPZSA-N 1 2 344.886 3.461 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)CC2CC2)C[N@H+]1CC#Cc1ccccc1Cl ZINC001071308358 1354565896 /nfs/dbraw/zinc/56/58/96/1354565896.db2.gz SNBZFLONWYLYSK-YJBOKZPZSA-N 1 2 344.886 3.461 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)c2ccco2)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001071313204 1354573144 /nfs/dbraw/zinc/57/31/44/1354573144.db2.gz WFFNRZWELOIKMS-MAUKXSAKSA-N 1 2 340.398 3.053 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)c2ccco2)C[N@H+]1CC#Cc1ccc(F)cc1 ZINC001071313204 1354573146 /nfs/dbraw/zinc/57/31/46/1354573146.db2.gz WFFNRZWELOIKMS-MAUKXSAKSA-N 1 2 340.398 3.053 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)c2ccco2)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001071313205 1354573157 /nfs/dbraw/zinc/57/31/57/1354573157.db2.gz WFFNRZWELOIKMS-QAPCUYQASA-N 1 2 340.398 3.053 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)c2ccco2)C[N@H+]1CC#Cc1ccc(F)cc1 ZINC001071313205 1354573160 /nfs/dbraw/zinc/57/31/60/1354573160.db2.gz WFFNRZWELOIKMS-QAPCUYQASA-N 1 2 340.398 3.053 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)c2cccs2)C[N@@H+]1Cc1ccc(C#N)s1 ZINC001071329280 1354593418 /nfs/dbraw/zinc/59/34/18/1354593418.db2.gz JJEJEEHBILWIOC-CHWSQXEVSA-N 1 2 345.493 3.464 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)c2cccs2)C[N@H+]1Cc1ccc(C#N)s1 ZINC001071329280 1354593423 /nfs/dbraw/zinc/59/34/23/1354593423.db2.gz JJEJEEHBILWIOC-CHWSQXEVSA-N 1 2 345.493 3.464 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3ccccc3C#N)C2)o1 ZINC001071332507 1354597897 /nfs/dbraw/zinc/59/78/97/1354597897.db2.gz RWCXGDKLWLQRBJ-KDOFPFPSSA-N 1 2 337.423 3.243 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3ccccc3C#N)C2)o1 ZINC001071332507 1354597898 /nfs/dbraw/zinc/59/78/98/1354597898.db2.gz RWCXGDKLWLQRBJ-KDOFPFPSSA-N 1 2 337.423 3.243 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC#Cc3ccccc3)C2)o1 ZINC001071333124 1354598132 /nfs/dbraw/zinc/59/81/32/1354598132.db2.gz XNNYLYYFTSINEH-QFBILLFUSA-N 1 2 336.435 3.222 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC#Cc3ccccc3)C2)o1 ZINC001071333124 1354598138 /nfs/dbraw/zinc/59/81/38/1354598138.db2.gz XNNYLYYFTSINEH-QFBILLFUSA-N 1 2 336.435 3.222 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2nc(C)sc2C)CC[C@@H]1C ZINC001071606536 1354791710 /nfs/dbraw/zinc/79/17/10/1354791710.db2.gz JUOVFXWIQQHHIA-GXFFZTMASA-N 1 2 327.881 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2nc(C)sc2C)CC[C@@H]1C ZINC001071606536 1354791716 /nfs/dbraw/zinc/79/17/16/1354791716.db2.gz JUOVFXWIQQHHIA-GXFFZTMASA-N 1 2 327.881 3.095 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2c3c[nH]nc3ccc2C)CC[C@H]1C ZINC001071625566 1354808686 /nfs/dbraw/zinc/80/86/86/1354808686.db2.gz POYKESULTBGSFD-ZIAGYGMSSA-N 1 2 346.862 3.207 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2c3c[nH]nc3ccc2C)CC[C@H]1C ZINC001071625566 1354808689 /nfs/dbraw/zinc/80/86/89/1354808689.db2.gz POYKESULTBGSFD-ZIAGYGMSSA-N 1 2 346.862 3.207 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccccc2COC)CC[C@H]1C ZINC001071642311 1354821673 /nfs/dbraw/zinc/82/16/73/1354821673.db2.gz NZOJAUQMSGTKAJ-GDBMZVCRSA-N 1 2 336.863 3.168 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccccc2COC)CC[C@H]1C ZINC001071642311 1354821676 /nfs/dbraw/zinc/82/16/76/1354821676.db2.gz NZOJAUQMSGTKAJ-GDBMZVCRSA-N 1 2 336.863 3.168 20 30 EGEDLO C=C(C)CC[N@H+]1C[C@H](NC(=O)c2n[nH]c3ccc(C)cc32)CC[C@@H]1C ZINC001071642394 1354822055 /nfs/dbraw/zinc/82/20/55/1354822055.db2.gz PGKQYEHLFCEFEP-JKSUJKDBSA-N 1 2 340.471 3.420 20 30 EGEDLO C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2n[nH]c3ccc(C)cc32)CC[C@@H]1C ZINC001071642394 1354822057 /nfs/dbraw/zinc/82/20/57/1354822057.db2.gz PGKQYEHLFCEFEP-JKSUJKDBSA-N 1 2 340.471 3.420 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc(F)c(F)c2F)CC[C@H]1C ZINC001071780380 1354928746 /nfs/dbraw/zinc/92/87/46/1354928746.db2.gz XSDNCJLZCZZEJT-MNOVXSKESA-N 1 2 346.780 3.439 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc(F)c(F)c2F)CC[C@H]1C ZINC001071780380 1354928750 /nfs/dbraw/zinc/92/87/50/1354928750.db2.gz XSDNCJLZCZZEJT-MNOVXSKESA-N 1 2 346.780 3.439 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc(F)c(OC)c2)CC[C@@H]1C ZINC001071835424 1354970214 /nfs/dbraw/zinc/97/02/14/1354970214.db2.gz NBMKMDDBNQVVNI-JSGCOSHPSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc(F)c(OC)c2)CC[C@@H]1C ZINC001071835424 1354970218 /nfs/dbraw/zinc/97/02/18/1354970218.db2.gz NBMKMDDBNQVVNI-JSGCOSHPSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2Cc3ccccc3C2)CC[C@@H]1C ZINC001071847573 1354976772 /nfs/dbraw/zinc/97/67/72/1354976772.db2.gz LSNFSSJLOGBGFQ-KSSFIOAISA-N 1 2 332.875 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2Cc3ccccc3C2)CC[C@@H]1C ZINC001071847573 1354976777 /nfs/dbraw/zinc/97/67/77/1354976777.db2.gz LSNFSSJLOGBGFQ-KSSFIOAISA-N 1 2 332.875 3.123 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C(C)(C)C)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC001072016155 1355079665 /nfs/dbraw/zinc/07/96/65/1355079665.db2.gz NFJFHFGWZNUXSP-BBRMVZONSA-N 1 2 331.435 3.213 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C(C)(C)C)C[N@H+]1Cc1cc(C#N)ccc1F ZINC001072016155 1355079668 /nfs/dbraw/zinc/07/96/68/1355079668.db2.gz NFJFHFGWZNUXSP-BBRMVZONSA-N 1 2 331.435 3.213 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc(N(C)C)cc2)CC[C@H]1C ZINC001072029558 1355090277 /nfs/dbraw/zinc/09/02/77/1355090277.db2.gz IMAPILYEIFMUJX-GDBMZVCRSA-N 1 2 335.879 3.088 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc(N(C)C)cc2)CC[C@H]1C ZINC001072029558 1355090281 /nfs/dbraw/zinc/09/02/81/1355090281.db2.gz IMAPILYEIFMUJX-GDBMZVCRSA-N 1 2 335.879 3.088 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C(C)C)o1)C2 ZINC001072951740 1355518111 /nfs/dbraw/zinc/51/81/11/1355518111.db2.gz SWJLQTHOXQGXPB-IBGZPJMESA-N 1 2 345.487 3.435 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C(C)C)o1)C2 ZINC001072951740 1355518115 /nfs/dbraw/zinc/51/81/15/1355518115.db2.gz SWJLQTHOXQGXPB-IBGZPJMESA-N 1 2 345.487 3.435 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001073028334 1355556109 /nfs/dbraw/zinc/55/61/09/1355556109.db2.gz JDLCLSCGIWHRGL-OAHLLOKOSA-N 1 2 343.446 3.024 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001073028334 1355556112 /nfs/dbraw/zinc/55/61/12/1355556112.db2.gz JDLCLSCGIWHRGL-OAHLLOKOSA-N 1 2 343.446 3.024 20 30 EGEDLO C=CCC(CC=C)C(=O)NCCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001094609885 1361878461 /nfs/dbraw/zinc/87/84/61/1361878461.db2.gz AEQICQFHMPIDSX-UHFFFAOYSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)c2ccc(F)cc2)C1 ZINC001080804894 1357740681 /nfs/dbraw/zinc/74/06/81/1357740681.db2.gz 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/nfs/dbraw/zinc/75/47/29/1357754729.db2.gz GAMFEPLLCXEQDS-UHNFBRDESA-N 1 2 339.266 3.169 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CCc3ccccc32)C1 ZINC001081025011 1357785501 /nfs/dbraw/zinc/78/55/01/1357785501.db2.gz XEEULZSUBKCDMP-OMWUSAIZSA-N 1 2 332.875 3.080 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CCc3ccccc32)C1 ZINC001081025011 1357785503 /nfs/dbraw/zinc/78/55/03/1357785503.db2.gz XEEULZSUBKCDMP-OMWUSAIZSA-N 1 2 332.875 3.080 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccccc3CC)[C@@H]2C1 ZINC001084444460 1358214925 /nfs/dbraw/zinc/21/49/25/1358214925.db2.gz YKRNPRSVVBGIMA-QZTJIDSGSA-N 1 2 332.875 3.077 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccccc3CC)[C@@H]2C1 ZINC001084444460 1358214927 /nfs/dbraw/zinc/21/49/27/1358214927.db2.gz YKRNPRSVVBGIMA-QZTJIDSGSA-N 1 2 332.875 3.077 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4nc(C)oc4C)C[C@H]32)CC1 ZINC001084635143 1358263262 /nfs/dbraw/zinc/26/32/62/1358263262.db2.gz PTUWGFWFJYGQGU-IEBWSBKVSA-N 1 2 343.471 3.071 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4nc(C)oc4C)C[C@H]32)CC1 ZINC001084635143 1358263267 /nfs/dbraw/zinc/26/32/67/1358263267.db2.gz PTUWGFWFJYGQGU-IEBWSBKVSA-N 1 2 343.471 3.071 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3(c4cccc(F)c4)CC3)[C@@H]2C1 ZINC001084699730 1358285733 /nfs/dbraw/zinc/28/57/33/1358285733.db2.gz BTCRNPKAPRXXKV-RHSMWYFYSA-N 1 2 348.849 3.143 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(c4cccc(F)c4)CC3)[C@@H]2C1 ZINC001084699730 1358285735 /nfs/dbraw/zinc/28/57/35/1358285735.db2.gz BTCRNPKAPRXXKV-RHSMWYFYSA-N 1 2 348.849 3.143 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CCC3)[C@@H]2C1 ZINC001084713985 1358290713 /nfs/dbraw/zinc/29/07/13/1358290713.db2.gz IQBDBRMTETXTAW-PLACYPQZSA-N 1 2 349.478 3.027 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CCC3)[C@@H]2C1 ZINC001084713985 1358290717 /nfs/dbraw/zinc/29/07/17/1358290717.db2.gz IQBDBRMTETXTAW-PLACYPQZSA-N 1 2 349.478 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Cc3ccccc3)[C@@H]2C1 ZINC001084845594 1358327148 /nfs/dbraw/zinc/32/71/48/1358327148.db2.gz XKOKVFPQRXGPOH-ZTFGCOKTSA-N 1 2 332.875 3.150 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Cc3ccccc3)[C@@H]2C1 ZINC001084845594 1358327151 /nfs/dbraw/zinc/32/71/51/1358327151.db2.gz XKOKVFPQRXGPOH-ZTFGCOKTSA-N 1 2 332.875 3.150 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1CC=CCC1 ZINC001085480553 1358531984 /nfs/dbraw/zinc/53/19/84/1358531984.db2.gz OIUXWSVFAQEBHH-HUUCEWRRSA-N 1 2 329.469 3.009 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1CC=CCC1 ZINC001085480553 1358531986 /nfs/dbraw/zinc/53/19/86/1358531986.db2.gz OIUXWSVFAQEBHH-HUUCEWRRSA-N 1 2 329.469 3.009 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)C1C(C)(C)C1(C)C ZINC001085537149 1358574751 /nfs/dbraw/zinc/57/47/51/1358574751.db2.gz RKSSSRBGLIKUMY-ZDUSSCGKSA-N 1 2 345.512 3.335 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)C1C(C)(C)C1(C)C ZINC001085537149 1358574752 /nfs/dbraw/zinc/57/47/52/1358574752.db2.gz RKSSSRBGLIKUMY-ZDUSSCGKSA-N 1 2 345.512 3.335 20 30 EGEDLO CCc1occc1C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001085571622 1358603945 /nfs/dbraw/zinc/60/39/45/1358603945.db2.gz HZXJDCSVOHIZHF-GOSISDBHSA-N 1 2 336.435 3.040 20 30 EGEDLO CCc1occc1C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001085571622 1358603948 /nfs/dbraw/zinc/60/39/48/1358603948.db2.gz HZXJDCSVOHIZHF-GOSISDBHSA-N 1 2 336.435 3.040 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)C1CC(C)(C)C1 ZINC001085578052 1358607222 /nfs/dbraw/zinc/60/72/22/1358607222.db2.gz CFNRMTQLYDLMLV-KRWDZBQOSA-N 1 2 343.446 3.166 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)C1CC(C)(C)C1 ZINC001085578052 1358607225 /nfs/dbraw/zinc/60/72/25/1358607225.db2.gz CFNRMTQLYDLMLV-KRWDZBQOSA-N 1 2 343.446 3.166 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@H]1CCC1(C)C ZINC001085774994 1358747534 /nfs/dbraw/zinc/74/75/34/1358747534.db2.gz NMZCFCJFOQKSBB-CZUORRHYSA-N 1 2 331.485 3.089 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@H]1CCC1(C)C ZINC001085774994 1358747538 /nfs/dbraw/zinc/74/75/38/1358747538.db2.gz NMZCFCJFOQKSBB-CZUORRHYSA-N 1 2 331.485 3.089 20 30 EGEDLO CC1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)C1 ZINC001183828657 1387355038 /nfs/dbraw/zinc/35/50/38/1387355038.db2.gz KZXMTQMCAJQGDS-XUJQIHCRSA-N 1 2 325.456 3.170 20 30 EGEDLO CC1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)C1 ZINC001183828657 1387355044 /nfs/dbraw/zinc/35/50/44/1387355044.db2.gz KZXMTQMCAJQGDS-XUJQIHCRSA-N 1 2 325.456 3.170 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1CCC(C)(C)C1 ZINC001085803933 1358779615 /nfs/dbraw/zinc/77/96/15/1358779615.db2.gz YNQWOIGUUFVEAP-WOJBJXKFSA-N 1 2 338.495 3.397 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1CCC(C)(C)C1 ZINC001085803933 1358779619 /nfs/dbraw/zinc/77/96/19/1358779619.db2.gz YNQWOIGUUFVEAP-WOJBJXKFSA-N 1 2 338.495 3.397 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1CCC(C)(C)C1 ZINC001085803931 1358779881 /nfs/dbraw/zinc/77/98/81/1358779881.db2.gz YNQWOIGUUFVEAP-UXHICEINSA-N 1 2 338.495 3.397 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1CCC(C)(C)C1 ZINC001085803931 1358779885 /nfs/dbraw/zinc/77/98/85/1358779885.db2.gz YNQWOIGUUFVEAP-UXHICEINSA-N 1 2 338.495 3.397 20 30 EGEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(Cl)cccc1Cl ZINC001085942360 1358900405 /nfs/dbraw/zinc/90/04/05/1358900405.db2.gz GAJQAAPPHPLJOS-GFCCVEGCSA-N 1 2 325.239 3.163 20 30 EGEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(Cl)cccc1Cl ZINC001085942360 1358900409 /nfs/dbraw/zinc/90/04/09/1358900409.db2.gz GAJQAAPPHPLJOS-GFCCVEGCSA-N 1 2 325.239 3.163 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2ccco2)C1 ZINC001086615981 1359165720 /nfs/dbraw/zinc/16/57/20/1359165720.db2.gz FSPNWQAYMBJVFY-ZWKOTPCHSA-N 1 2 344.842 3.159 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2ccco2)C1 ZINC001086615981 1359165722 /nfs/dbraw/zinc/16/57/22/1359165722.db2.gz FSPNWQAYMBJVFY-ZWKOTPCHSA-N 1 2 344.842 3.159 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)C2CCCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087484368 1359487598 /nfs/dbraw/zinc/48/75/98/1359487598.db2.gz BNHAZYJMANPMOY-RBUKOAKNSA-N 1 2 343.446 3.357 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)C2CCCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087484368 1359487602 /nfs/dbraw/zinc/48/76/02/1359487602.db2.gz BNHAZYJMANPMOY-RBUKOAKNSA-N 1 2 343.446 3.357 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@]2(C)C=CCC2)[C@H]1CC ZINC001087690890 1359592370 /nfs/dbraw/zinc/59/23/70/1359592370.db2.gz VBYOSVMFYGQXHD-SQWLQELKSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)C=CCC2)[C@H]1CC ZINC001087690890 1359592372 /nfs/dbraw/zinc/59/23/72/1359592372.db2.gz VBYOSVMFYGQXHD-SQWLQELKSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3ccn(C(C)C)n3)[C@@H]2CC)C1 ZINC001087718188 1359609960 /nfs/dbraw/zinc/60/99/60/1359609960.db2.gz AHTPBDRXEZQEJI-ZWKOTPCHSA-N 1 2 344.503 3.289 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3ccn(C(C)C)n3)[C@@H]2CC)C1 ZINC001087718188 1359609963 /nfs/dbraw/zinc/60/99/63/1359609963.db2.gz AHTPBDRXEZQEJI-ZWKOTPCHSA-N 1 2 344.503 3.289 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C[C@H]2C=CCCC2)[C@H]1C ZINC001088656639 1360003859 /nfs/dbraw/zinc/00/38/59/1360003859.db2.gz ZSGZGTYAUFYGPI-ILXRZTDVSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2C=CCCC2)[C@H]1C ZINC001088656639 1360003860 /nfs/dbraw/zinc/00/38/60/1360003860.db2.gz ZSGZGTYAUFYGPI-ILXRZTDVSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nc(Cl)sc2C)[C@H]1C ZINC001088735910 1360025690 /nfs/dbraw/zinc/02/56/90/1360025690.db2.gz OWUQAQNRAKDHGW-SCZZXKLOSA-N 1 2 334.272 3.050 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nc(Cl)sc2C)[C@H]1C ZINC001088735910 1360025696 /nfs/dbraw/zinc/02/56/96/1360025696.db2.gz OWUQAQNRAKDHGW-SCZZXKLOSA-N 1 2 334.272 3.050 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3ncccc3c2)[C@H]1C ZINC001088834917 1360070449 /nfs/dbraw/zinc/07/04/49/1360070449.db2.gz UPBITTVUGTZPBL-CJNGLKHVSA-N 1 2 329.831 3.180 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3ncccc3c2)[C@H]1C ZINC001088834917 1360070454 /nfs/dbraw/zinc/07/04/54/1360070454.db2.gz UPBITTVUGTZPBL-CJNGLKHVSA-N 1 2 329.831 3.180 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(F)s2)CC[N@@H+]1Cc1ccccc1C#N ZINC001089071917 1360160123 /nfs/dbraw/zinc/16/01/23/1360160123.db2.gz AGZQLCIYNQSAME-DOMZBBRYSA-N 1 2 343.427 3.152 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(F)s2)CC[N@H+]1Cc1ccccc1C#N ZINC001089071917 1360160124 /nfs/dbraw/zinc/16/01/24/1360160124.db2.gz AGZQLCIYNQSAME-DOMZBBRYSA-N 1 2 343.427 3.152 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)N(CC)c2nc(C)[nH+]c(C)c2C)CCC1 ZINC001089742357 1360645751 /nfs/dbraw/zinc/64/57/51/1360645751.db2.gz LXGTZXLDQRWAJY-CQSZACIVSA-N 1 2 344.503 3.479 20 30 EGEDLO Cc1nc(NCCCN(CC2CCCC2)C(=O)C#CC2CC2)cc[nH+]1 ZINC001090183483 1360862363 /nfs/dbraw/zinc/86/23/63/1360862363.db2.gz SRSOLQNPHZDGSI-UHFFFAOYSA-N 1 2 340.471 3.019 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)[C@@H]1C ZINC001090234057 1360869637 /nfs/dbraw/zinc/86/96/37/1360869637.db2.gz USTVVOAPQNSSII-YOEHRIQHSA-N 1 2 342.487 3.421 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2C[C@H](Nc3cc[nH+]c(C)n3)C23CCC3)CCC1 ZINC001090617209 1360913279 /nfs/dbraw/zinc/91/32/79/1360913279.db2.gz BVTGHLGHQQFHFN-HOTGVXAUSA-N 1 2 340.471 3.371 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C12CCC2 ZINC001090619697 1360915636 /nfs/dbraw/zinc/91/56/36/1360915636.db2.gz CLRVXBWDWWCEFY-HUUCEWRRSA-N 1 2 328.460 3.227 20 30 EGEDLO C=CCCC(=O)NC[C@H]1CC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001091549197 1361141577 /nfs/dbraw/zinc/14/15/77/1361141577.db2.gz WTZCBJGYXSZINT-JKSUJKDBSA-N 1 2 342.487 3.327 20 30 EGEDLO Cc1nsc(N2CC[NH+]([C@H]3CCc4c3cccc4F)CC2)c1C#N ZINC001323922771 1387497532 /nfs/dbraw/zinc/49/75/32/1387497532.db2.gz GCKHZCRJMJQTHP-KRWDZBQOSA-N 1 2 342.443 3.272 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCN(c2nc(C)[nH+]c3c2CCCC3)[C@@H]1CC ZINC001091769055 1361215434 /nfs/dbraw/zinc/21/54/34/1361215434.db2.gz HDKAPYAQMHRCFT-ZWKOTPCHSA-N 1 2 342.487 3.104 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1CC ZINC001091817901 1361227117 /nfs/dbraw/zinc/22/71/17/1361227117.db2.gz AWHLJMXIKZFHFN-JEBQAFNWSA-N 1 2 344.503 3.478 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)[C@@H]2C)CC1 ZINC001092044948 1361281175 /nfs/dbraw/zinc/28/11/75/1361281175.db2.gz LLDPNDZCEXZDII-WBVHZDCISA-N 1 2 342.487 3.232 20 30 EGEDLO CC(C)c1cc(NC2CC(CNC(=O)[C@@H](C)C#N)C2)nc(C(C)C)[nH+]1 ZINC001092205844 1361322802 /nfs/dbraw/zinc/32/28/02/1361322802.db2.gz LDCOVRAYLCBVJP-NFOMZHRRSA-N 1 2 343.475 3.190 20 30 EGEDLO C=CCCCC(=O)N1C[C@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@@]2(C)C1 ZINC001092307427 1361361071 /nfs/dbraw/zinc/36/10/71/1361361071.db2.gz WURRPQMSOOXPTJ-FXAWDEMLSA-N 1 2 342.487 3.043 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001092431042 1361380444 /nfs/dbraw/zinc/38/04/44/1361380444.db2.gz LEPKKKNVYVJKHV-FSPWUOQZSA-N 1 2 344.503 3.193 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001092434801 1361381703 /nfs/dbraw/zinc/38/17/03/1361381703.db2.gz MWEDXMFXQBTMGR-CZUORRHYSA-N 1 2 342.487 3.063 20 30 EGEDLO C=CCCCC(=O)N1C[C@@H]2CCC[C@]2(CNc2cc[nH+]c(C)n2)C1 ZINC001093128251 1361535634 /nfs/dbraw/zinc/53/56/34/1361535634.db2.gz DKEVJPWZDZFNDN-LPHOPBHVSA-N 1 2 328.460 3.182 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@H]21 ZINC001093357102 1361570080 /nfs/dbraw/zinc/57/00/80/1361570080.db2.gz SJNLDKCSPWMCMM-QLPKVWCKSA-N 1 2 342.487 3.062 20 30 EGEDLO C#Cc1ccc(C(=O)NCC2(Nc3cc[nH+]c(C)n3)CCCCC2)cc1 ZINC001093402915 1361607471 /nfs/dbraw/zinc/60/74/71/1361607471.db2.gz UZXNCKHBBVFBDA-UHFFFAOYSA-N 1 2 348.450 3.311 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC1CC2(C1)CC(Nc1cc[nH+]c(C)n1)C2 ZINC001093439144 1361623815 /nfs/dbraw/zinc/62/38/15/1361623815.db2.gz DVJZOSKELRUARQ-PXLHRZOGSA-N 1 2 328.460 3.227 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C3(CC)CCCC3)CC2)C1 ZINC001093587033 1361649730 /nfs/dbraw/zinc/64/97/30/1361649730.db2.gz MLFQYGUXNNDGID-UHFFFAOYSA-N 1 2 334.504 3.225 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCCC[C@@H]3CC)CC2)C1 ZINC001093587613 1361650051 /nfs/dbraw/zinc/65/00/51/1361650051.db2.gz WCOXQMMDKUITJJ-QFBILLFUSA-N 1 2 334.504 3.081 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@@H]3CCCC[C@H]3C)CC2)C1 ZINC001093600024 1361654623 /nfs/dbraw/zinc/65/46/23/1361654623.db2.gz LMGKRDLCQJSYGT-SJORKVTESA-N 1 2 334.504 3.081 20 30 EGEDLO CC#CCCCC(=O)NCCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001094065776 1361732010 /nfs/dbraw/zinc/73/20/10/1361732010.db2.gz VQZRHSSTVOSLLJ-UHFFFAOYSA-N 1 2 330.476 3.445 20 30 EGEDLO C=CCO[C@@H](C)C(=O)NCCCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001094476596 1361820713 /nfs/dbraw/zinc/82/07/13/1361820713.db2.gz XQYUTGYXZDSBHY-HNNXBMFYSA-N 1 2 348.491 3.233 20 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ZINC001095201504 1362050720 /nfs/dbraw/zinc/05/07/20/1362050720.db2.gz OSXUWPCOLOTRAO-INIZCTEOSA-N 1 2 342.487 3.303 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095373439 1362118860 /nfs/dbraw/zinc/11/88/60/1362118860.db2.gz LFDYOVPYAFPWQA-KRWDZBQOSA-N 1 2 344.503 3.337 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccnc1C1CC1)C2 ZINC001095688585 1362202042 /nfs/dbraw/zinc/20/20/42/1362202042.db2.gz HKYYHRVCGBMBLF-KBMXLJTQSA-N 1 2 331.847 3.047 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccnc1C1CC1)C2 ZINC001095688585 1362202045 /nfs/dbraw/zinc/20/20/45/1362202045.db2.gz HKYYHRVCGBMBLF-KBMXLJTQSA-N 1 2 331.847 3.047 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001095711136 1362208828 /nfs/dbraw/zinc/20/88/28/1362208828.db2.gz PDTSKEPYXDNIHK-OAHLLOKOSA-N 1 2 344.503 3.209 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCCC1(F)F)C2 ZINC001095814753 1362243229 /nfs/dbraw/zinc/24/32/29/1362243229.db2.gz JTTRGPVFZABKMK-RFGFWPKPSA-N 1 2 332.822 3.286 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCCC1(F)F)C2 ZINC001095814753 1362243232 /nfs/dbraw/zinc/24/32/32/1362243232.db2.gz JTTRGPVFZABKMK-RFGFWPKPSA-N 1 2 332.822 3.286 20 30 EGEDLO C#CCCCC(=O)NCCCN(CC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001095864880 1362259166 /nfs/dbraw/zinc/25/91/66/1362259166.db2.gz GWVUXOLCRUJOSI-UHFFFAOYSA-N 1 2 330.476 3.045 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001095887089 1362271461 /nfs/dbraw/zinc/27/14/61/1362271461.db2.gz CECCTXQQXPTAHW-YRXWBPOGSA-N 1 2 337.467 3.216 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001095887089 1362271464 /nfs/dbraw/zinc/27/14/64/1362271464.db2.gz CECCTXQQXPTAHW-YRXWBPOGSA-N 1 2 337.467 3.216 20 30 EGEDLO C=CC(C)(C)C(=O)NCCCN(CC)c1nc(C)[nH+]c2c1CCCC2 ZINC001095943019 1362296891 /nfs/dbraw/zinc/29/68/91/1362296891.db2.gz XDFUWENMKSJLOA-UHFFFAOYSA-N 1 2 344.503 3.209 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001096218442 1362436928 /nfs/dbraw/zinc/43/69/28/1362436928.db2.gz HRAMUPSWUBZVBM-INIZCTEOSA-N 1 2 330.476 3.089 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096231980 1362445635 /nfs/dbraw/zinc/44/56/35/1362445635.db2.gz DAJOLRHUEXKFJC-OXJNMPFZSA-N 1 2 342.487 3.350 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096463570 1362520448 /nfs/dbraw/zinc/52/04/48/1362520448.db2.gz QKWDDYDQBFOFTD-QGZVFWFLSA-N 1 2 342.487 3.187 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N(C)CC)cc1)C2 ZINC001096651978 1362617540 /nfs/dbraw/zinc/61/75/40/1362617540.db2.gz ZSZYSVLJGHHJEQ-SQNIBIBYSA-N 1 2 347.890 3.230 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N(C)CC)cc1)C2 ZINC001096651978 1362617545 /nfs/dbraw/zinc/61/75/45/1362617545.db2.gz ZSZYSVLJGHHJEQ-SQNIBIBYSA-N 1 2 347.890 3.230 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001097089182 1362838529 /nfs/dbraw/zinc/83/85/29/1362838529.db2.gz RNBFXVPJPQBXIT-BPUTZDHNSA-N 1 2 342.487 3.325 20 30 EGEDLO C=CCCC1(C(=O)N2CCC[C@H](CNc3cc[nH+]c(C)n3)C2)CC1 ZINC001097382956 1362963542 /nfs/dbraw/zinc/96/35/42/1362963542.db2.gz YUXIKHTWHQIESJ-MRXNPFEDSA-N 1 2 328.460 3.182 20 30 EGEDLO C#CCCCCC(=O)NC[C@H]1CCCCN1c1nc(C)[nH+]c(C)c1C ZINC001097410944 1362977678 /nfs/dbraw/zinc/97/76/78/1362977678.db2.gz OCZPMTNCKMMDQO-GOSISDBHSA-N 1 2 342.487 3.071 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCCCN1c1nc(C)[nH+]c(C)c1C ZINC001097444459 1362992700 /nfs/dbraw/zinc/99/27/00/1362992700.db2.gz VHBPSGUYTYPLIA-KRWDZBQOSA-N 1 2 330.476 3.233 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)c3ccccc13)C2 ZINC001097463294 1363005259 /nfs/dbraw/zinc/00/52/59/1363005259.db2.gz XWVFVXSMXPGRDH-QBIMZIAESA-N 1 2 343.858 3.266 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)c3ccccc13)C2 ZINC001097463294 1363005261 /nfs/dbraw/zinc/00/52/61/1363005261.db2.gz XWVFVXSMXPGRDH-QBIMZIAESA-N 1 2 343.858 3.266 20 30 EGEDLO Cc1cc(NC[C@H]2CCCCN2C(=O)C#CC(C)C)nc(C2CC2)[nH+]1 ZINC001097482282 1363013470 /nfs/dbraw/zinc/01/34/70/1363013470.db2.gz AWSSPLCIFHDDDS-QGZVFWFLSA-N 1 2 340.471 3.115 20 30 EGEDLO C#CCCCCCC(=O)N1CCCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001097497849 1363022162 /nfs/dbraw/zinc/02/21/62/1363022162.db2.gz RHIAVYOXJVGOEJ-QGZVFWFLSA-N 1 2 328.460 3.162 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H](C)[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097534155 1363043331 /nfs/dbraw/zinc/04/33/31/1363043331.db2.gz DZPYNUJNDAOWMH-FUHWJXTLSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001097539789 1363047754 /nfs/dbraw/zinc/04/77/54/1363047754.db2.gz IRMUZVMSJJSBMG-HOCLYGCPSA-N 1 2 330.476 3.108 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)c(C)[nH]1 ZINC001097939227 1363172521 /nfs/dbraw/zinc/17/25/21/1363172521.db2.gz FCOMQHAGYKXPTL-RLLQIKCJSA-N 1 2 348.450 3.039 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)c(C)[nH]1 ZINC001097939227 1363172525 /nfs/dbraw/zinc/17/25/25/1363172525.db2.gz FCOMQHAGYKXPTL-RLLQIKCJSA-N 1 2 348.450 3.039 20 30 EGEDLO CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001098261750 1363276754 /nfs/dbraw/zinc/27/67/54/1363276754.db2.gz YDQUQHZRKDHHND-KURKYZTESA-N 1 2 344.886 3.459 20 30 EGEDLO CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001098261750 1363276756 /nfs/dbraw/zinc/27/67/56/1363276756.db2.gz YDQUQHZRKDHHND-KURKYZTESA-N 1 2 344.886 3.459 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)cc1 ZINC001098271218 1363280837 /nfs/dbraw/zinc/28/08/37/1363280837.db2.gz WBXYLSZPYRYVPS-NJYVYQBISA-N 1 2 345.446 3.402 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)cc1 ZINC001098271218 1363280840 /nfs/dbraw/zinc/28/08/40/1363280840.db2.gz WBXYLSZPYRYVPS-NJYVYQBISA-N 1 2 345.446 3.402 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001098295371 1363288121 /nfs/dbraw/zinc/28/81/21/1363288121.db2.gz FACBQIIPEKPYDE-CYBMUJFWSA-N 1 2 330.476 3.183 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001098568113 1363380677 /nfs/dbraw/zinc/38/06/77/1363380677.db2.gz KGHJUGACJRIZFI-QGZVFWFLSA-N 1 2 342.487 3.362 20 30 EGEDLO C=C(Br)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC1CC1 ZINC001098849305 1363491298 /nfs/dbraw/zinc/49/12/98/1363491298.db2.gz LCHTXBZSKYLGNZ-AWEZNQCLSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC1CC1 ZINC001098849305 1363491299 /nfs/dbraw/zinc/49/12/99/1363491299.db2.gz LCHTXBZSKYLGNZ-AWEZNQCLSA-N 1 2 343.309 3.302 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1coc(C)n1 ZINC001099203366 1363690858 /nfs/dbraw/zinc/69/08/58/1363690858.db2.gz LTYGWCCXFUXWCT-QGZVFWFLSA-N 1 2 333.476 3.446 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1coc(C)n1 ZINC001099203366 1363690862 /nfs/dbraw/zinc/69/08/62/1363690862.db2.gz LTYGWCCXFUXWCT-QGZVFWFLSA-N 1 2 333.476 3.446 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCC2CCCCC2)[C@H](O)C1 ZINC001100094653 1364015699 /nfs/dbraw/zinc/01/56/99/1364015699.db2.gz PXZBBGDEBDSOIO-DLBZAZTESA-N 1 2 342.911 3.041 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCC2CCCCC2)[C@H](O)C1 ZINC001100094653 1364015700 /nfs/dbraw/zinc/01/57/00/1364015700.db2.gz PXZBBGDEBDSOIO-DLBZAZTESA-N 1 2 342.911 3.041 20 30 EGEDLO C#CCC1(C(=O)NCCN(CC)c2cc(C)[nH+]c(C(C)C)n2)CCC1 ZINC001100630431 1364196153 /nfs/dbraw/zinc/19/61/53/1364196153.db2.gz HNTWHPNEWGKULV-UHFFFAOYSA-N 1 2 342.487 3.045 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001101042294 1364387044 /nfs/dbraw/zinc/38/70/44/1364387044.db2.gz YGAHLXYVLNOHOA-RDJZCZTQSA-N 1 2 344.503 3.453 20 30 EGEDLO C=C[C@H](C(=O)NCCN(CCC)c1cc[nH+]c(C)n1)c1ccccc1 ZINC001101150049 1364432310 /nfs/dbraw/zinc/43/23/10/1364432310.db2.gz GNXALAVMXYYJEY-SFHVURJKSA-N 1 2 338.455 3.087 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCN(CCC)c1nc(C)[nH+]c(C)c1C ZINC001101216709 1364468236 /nfs/dbraw/zinc/46/82/36/1364468236.db2.gz KBSPNUGQRFLUFY-UHFFFAOYSA-N 1 2 332.492 3.337 20 30 EGEDLO C=CCCc1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)c(=O)[nH]1 ZINC001185364490 1387692835 /nfs/dbraw/zinc/69/28/35/1387692835.db2.gz PFTHNEYCYXHNLT-UHFFFAOYSA-N 1 2 348.406 3.403 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)CCC(C)(C)C)c1nccn12 ZINC001101649673 1364672355 /nfs/dbraw/zinc/67/23/55/1364672355.db2.gz RZAYSZDZNWIPLZ-JKSUJKDBSA-N 1 2 344.503 3.103 20 30 EGEDLO C=CCCC1(C(=O)N(C)CCNc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001101929456 1364777886 /nfs/dbraw/zinc/77/78/86/1364777886.db2.gz YIPHZUMDOUJNHY-UHFFFAOYSA-N 1 2 342.487 3.281 20 30 EGEDLO C=C1CCC(C(=O)NCCCN(c2cc[nH+]c(C)n2)C(C)C)CC1 ZINC001102139037 1364885703 /nfs/dbraw/zinc/88/57/03/1364885703.db2.gz AKSGTYRUOBEPPC-UHFFFAOYSA-N 1 2 330.476 3.253 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(CC)[nH+]c(C)n1 ZINC001102205706 1364933152 /nfs/dbraw/zinc/93/31/52/1364933152.db2.gz QZSXYZHCRPYEHD-NXHRZFHOSA-N 1 2 342.487 3.129 20 30 EGEDLO C=CCCC1(C(=O)NC[C@@H]2C[N@H+]([C@H](C)c3csnn3)C[C@H]2C)CC1 ZINC001102328521 1365003896 /nfs/dbraw/zinc/00/38/96/1365003896.db2.gz MNKKKPZMPSSLEI-RBSFLKMASA-N 1 2 348.516 3.030 20 30 EGEDLO C=CCCC1(C(=O)NC[C@@H]2C[N@@H+]([C@H](C)c3csnn3)C[C@H]2C)CC1 ZINC001102328521 1365003897 /nfs/dbraw/zinc/00/38/97/1365003897.db2.gz MNKKKPZMPSSLEI-RBSFLKMASA-N 1 2 348.516 3.030 20 30 EGEDLO C=C(C)CCC(=O)N(C)[C@H]1CCN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC001102737033 1365196471 /nfs/dbraw/zinc/19/64/71/1365196471.db2.gz XKYATNXVAYNRGW-INIZCTEOSA-N 1 2 342.487 3.057 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)NC[C@H](CC)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001102983712 1365327385 /nfs/dbraw/zinc/32/73/85/1365327385.db2.gz QHJSRTIQBBYLEN-HOTGVXAUSA-N 1 2 348.491 3.196 20 30 EGEDLO C#CCC1(C(=O)NC[C@H](CC)Nc2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001103204733 1365434415 /nfs/dbraw/zinc/43/44/15/1365434415.db2.gz IAJLDBGJLMBVGA-INIZCTEOSA-N 1 2 340.471 3.163 20 30 EGEDLO C#CCCCCC(=O)N[C@]1(CNc2cc[nH+]c(C)n2)CCCC[C@@H]1C ZINC001103601384 1365666903 /nfs/dbraw/zinc/66/69/03/1365666903.db2.gz HGUDDTNOMWLODR-JXFKEZNVSA-N 1 2 342.487 3.456 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001103610370 1365674303 /nfs/dbraw/zinc/67/43/03/1365674303.db2.gz SBDZPGNWQTUDJI-KRWDZBQOSA-N 1 2 328.460 3.019 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCc1ccc(CNc2cc[nH+]c(C)n2)cc1 ZINC001103666059 1365714238 /nfs/dbraw/zinc/71/42/38/1365714238.db2.gz GBAFXQQJBNSKPI-LSDHHAIUSA-N 1 2 338.455 3.472 20 30 EGEDLO C=CCOCC(=O)NC[C@@H](C)CNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001103899853 1365827788 /nfs/dbraw/zinc/82/77/88/1365827788.db2.gz CWVQAMLFUBKCPQ-HNNXBMFYSA-N 1 2 348.491 3.090 20 30 EGEDLO CC#CCCCC(=O)NC[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104158993 1365930788 /nfs/dbraw/zinc/93/07/88/1365930788.db2.gz GWPOGPJDWMDBFF-HNNXBMFYSA-N 1 2 342.487 3.022 20 30 EGEDLO C#CCCCCC(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C1CCCCC1 ZINC001105015969 1366275214 /nfs/dbraw/zinc/27/52/14/1366275214.db2.gz ARYLRSPELRWRSC-SFHVURJKSA-N 1 2 342.487 3.456 20 30 EGEDLO C#CCC1(C(=O)N2CCC[C@H]([C@H](C)Nc3cc[nH+]c(C)n3)C2)CCC1 ZINC001105081230 1366313686 /nfs/dbraw/zinc/31/36/86/1366313686.db2.gz IIIOAGBGORYMEY-RDJZCZTQSA-N 1 2 340.471 3.018 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@H]([C@@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001105083331 1366316213 /nfs/dbraw/zinc/31/62/13/1366316213.db2.gz FUFPFFCWGKIHOO-ZBFHGGJFSA-N 1 2 330.476 3.426 20 30 EGEDLO Cc1cc(N[C@H](CNC(=O)C#CC(C)(C)C)C(C)C)nc(C2CC2)[nH+]1 ZINC001105171488 1366354875 /nfs/dbraw/zinc/35/48/75/1366354875.db2.gz BGCLHPKMFSTDSV-MRXNPFEDSA-N 1 2 342.487 3.265 20 30 EGEDLO C=CCC1(C(=O)N(C)CCN(C)c2nc(C)[nH+]c(C)c2C)CCCC1 ZINC001105424877 1366460533 /nfs/dbraw/zinc/46/05/33/1366460533.db2.gz FKCNPVCDDXYBQJ-UHFFFAOYSA-N 1 2 344.503 3.433 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N(C)CCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001105520557 1366506621 /nfs/dbraw/zinc/50/66/21/1366506621.db2.gz DBBPIFODXIWHCK-UHFFFAOYSA-N 1 2 332.492 3.405 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]2[C@@H](CCN2c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001105620945 1366549662 /nfs/dbraw/zinc/54/96/62/1366549662.db2.gz NIWJWRIIWATQNO-DLBZAZTESA-N 1 2 340.471 3.056 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCC[C@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001105645506 1366557668 /nfs/dbraw/zinc/55/76/68/1366557668.db2.gz BHJOCFBWOBQBGX-JKSUJKDBSA-N 1 2 328.460 3.325 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC001105689559 1366574947 /nfs/dbraw/zinc/57/49/47/1366574947.db2.gz QXIBNSDIQKWHBX-IRXDYDNUSA-N 1 2 328.460 3.066 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[C@@H](C)CC(C)C)CC2)C1 ZINC001105731427 1366588277 /nfs/dbraw/zinc/58/82/77/1366588277.db2.gz PGJJOQXGIRUBTM-KRWDZBQOSA-N 1 2 336.520 3.327 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([NH2+][C@H](C)c2nc(CCCC)no2)C1 ZINC001185931541 1387828738 /nfs/dbraw/zinc/82/87/38/1387828738.db2.gz GPCWCZBMYWICRF-HUUCEWRRSA-N 1 2 348.491 3.266 20 30 EGEDLO CC#CCCCC(=O)N[C@@H](C)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001106528455 1366723319 /nfs/dbraw/zinc/72/33/19/1366723319.db2.gz DXAKBEBIGPTFQR-HNNXBMFYSA-N 1 2 342.487 3.164 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N(CC)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106923877 1366834695 /nfs/dbraw/zinc/83/46/95/1366834695.db2.gz JZEZGGXZTKZSFO-HIFRSBDPSA-N 1 2 330.476 3.381 20 30 EGEDLO C#CCC1(C(=O)NC/C=C/CNc2cc(C)[nH+]c(C(C)C)n2)CCC1 ZINC001107381265 1366947453 /nfs/dbraw/zinc/94/74/53/1366947453.db2.gz HNEZCWUVTDGTDN-VOTSOKGWSA-N 1 2 340.471 3.186 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)cc(F)c1 ZINC001109165896 1366984210 /nfs/dbraw/zinc/98/42/10/1366984210.db2.gz AKCFPDOKZPKIAT-QYZOEREBSA-N 1 2 346.421 3.380 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)cc(F)c1 ZINC001109165896 1366984213 /nfs/dbraw/zinc/98/42/13/1366984213.db2.gz AKCFPDOKZPKIAT-QYZOEREBSA-N 1 2 346.421 3.380 20 30 EGEDLO CCC[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001189462312 1367029200 /nfs/dbraw/zinc/02/92/00/1367029200.db2.gz VGTUQPOFXIEAAC-RDTXWAMCSA-N 1 2 331.435 3.166 20 30 EGEDLO CCC[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001189462312 1367029208 /nfs/dbraw/zinc/02/92/08/1367029208.db2.gz VGTUQPOFXIEAAC-RDTXWAMCSA-N 1 2 331.435 3.166 20 30 EGEDLO CC(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109336138 1367061982 /nfs/dbraw/zinc/06/19/82/1367061982.db2.gz AZDDMHRYNLDYOE-QYZOEREBSA-N 1 2 339.483 3.462 20 30 EGEDLO CC(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109336138 1367061988 /nfs/dbraw/zinc/06/19/88/1367061988.db2.gz AZDDMHRYNLDYOE-QYZOEREBSA-N 1 2 339.483 3.462 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@H]2C[N@H+](Cc3nonc3C)C[C@H]21 ZINC001189906740 1367127813 /nfs/dbraw/zinc/12/78/13/1367127813.db2.gz LUUNNNISPGXNDX-FUHWJXTLSA-N 1 2 348.491 3.161 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nonc3C)C[C@H]21 ZINC001189906740 1367127816 /nfs/dbraw/zinc/12/78/16/1367127816.db2.gz LUUNNNISPGXNDX-FUHWJXTLSA-N 1 2 348.491 3.161 20 30 EGEDLO C[N@H+](Cc1cc(O)ccc1Cl)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190084857 1367168725 /nfs/dbraw/zinc/16/87/25/1367168725.db2.gz TUARUPMNYDAQMN-OAHLLOKOSA-N 1 2 348.874 3.128 20 30 EGEDLO C[N@@H+](Cc1cc(O)ccc1Cl)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190084857 1367168726 /nfs/dbraw/zinc/16/87/26/1367168726.db2.gz TUARUPMNYDAQMN-OAHLLOKOSA-N 1 2 348.874 3.128 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N(C)CCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001109586714 1367212618 /nfs/dbraw/zinc/21/26/18/1367212618.db2.gz IWQDQITWDANMEZ-GJZGRUSLSA-N 1 2 344.503 3.382 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001109590983 1367215854 /nfs/dbraw/zinc/21/58/54/1367215854.db2.gz KPVDFYZRDMAMIE-IKGGRYGDSA-N 1 2 331.435 3.045 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001109590983 1367215858 /nfs/dbraw/zinc/21/58/58/1367215858.db2.gz KPVDFYZRDMAMIE-IKGGRYGDSA-N 1 2 331.435 3.045 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@]1(C)C[N@H+](C/C=C\c2ccccc2)CCO1 ZINC001107974394 1367225103 /nfs/dbraw/zinc/22/51/03/1367225103.db2.gz RNKQWVAPXZRHOU-UKSYNSBOSA-N 1 2 342.483 3.263 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@]1(C)C[N@@H+](C/C=C\c2ccccc2)CCO1 ZINC001107974394 1367225107 /nfs/dbraw/zinc/22/51/07/1367225107.db2.gz RNKQWVAPXZRHOU-UKSYNSBOSA-N 1 2 342.483 3.263 20 30 EGEDLO C=C(C)CCC(=O)NC[C@]1(C)C[N@H+]([C@H](C)c2ccc(F)cc2)CCO1 ZINC001107977986 1367228325 /nfs/dbraw/zinc/22/83/25/1367228325.db2.gz YSIITEZWACNNEC-OXQOHEQNSA-N 1 2 348.462 3.450 20 30 EGEDLO C=C(C)CCC(=O)NC[C@]1(C)C[N@@H+]([C@H](C)c2ccc(F)cc2)CCO1 ZINC001107977986 1367228326 /nfs/dbraw/zinc/22/83/26/1367228326.db2.gz YSIITEZWACNNEC-OXQOHEQNSA-N 1 2 348.462 3.450 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2csc(C3CC3)n2)C1 ZINC001190429028 1367262315 /nfs/dbraw/zinc/26/23/15/1367262315.db2.gz UAIFDINONMNSNY-MRXNPFEDSA-N 1 2 333.501 3.410 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2csc(C3CC3)n2)C1 ZINC001190429028 1367262318 /nfs/dbraw/zinc/26/23/18/1367262318.db2.gz UAIFDINONMNSNY-MRXNPFEDSA-N 1 2 333.501 3.410 20 30 EGEDLO C=C(C)[C@H](CC(=O)N1CC[C@@H]([N@H+](C)CC=C(Cl)Cl)C1)OCC ZINC001190445089 1367267354 /nfs/dbraw/zinc/26/73/54/1367267354.db2.gz URAUEAOOPRTMGM-KGLIPLIRSA-N 1 2 349.302 3.209 20 30 EGEDLO C=C(C)[C@H](CC(=O)N1CC[C@@H]([N@@H+](C)CC=C(Cl)Cl)C1)OCC ZINC001190445089 1367267360 /nfs/dbraw/zinc/26/73/60/1367267360.db2.gz URAUEAOOPRTMGM-KGLIPLIRSA-N 1 2 349.302 3.209 20 30 EGEDLO C=C1CCC(C(=O)N[C@H](C)CNc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001108083558 1367274478 /nfs/dbraw/zinc/27/44/78/1367274478.db2.gz BIUHZHALZCJTCW-CQSZACIVSA-N 1 2 342.487 3.327 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccns2)CCC1 ZINC001109683229 1367280369 /nfs/dbraw/zinc/28/03/69/1367280369.db2.gz CIKCVIMXHAQYQS-KBMXLJTQSA-N 1 2 331.485 3.111 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccns2)CCC1 ZINC001109683229 1367280372 /nfs/dbraw/zinc/28/03/72/1367280372.db2.gz CIKCVIMXHAQYQS-KBMXLJTQSA-N 1 2 331.485 3.111 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(F)cc2C)CCO1 ZINC001108119406 1367291728 /nfs/dbraw/zinc/29/17/28/1367291728.db2.gz MSUMORMYRWBSQG-FQEVSTJZSA-N 1 2 348.462 3.053 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(F)cc2C)CCO1 ZINC001108119406 1367291731 /nfs/dbraw/zinc/29/17/31/1367291731.db2.gz MSUMORMYRWBSQG-FQEVSTJZSA-N 1 2 348.462 3.053 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@]1(C)C[N@H+](Cc2ccsc2)CCO1 ZINC001108148830 1367310619 /nfs/dbraw/zinc/31/06/19/1367310619.db2.gz OTMJZUKFPHYTEI-CRAIPNDOSA-N 1 2 336.501 3.058 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@]1(C)C[N@@H+](Cc2ccsc2)CCO1 ZINC001108148830 1367310622 /nfs/dbraw/zinc/31/06/22/1367310622.db2.gz OTMJZUKFPHYTEI-CRAIPNDOSA-N 1 2 336.501 3.058 20 30 EGEDLO Cc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc1F ZINC001190742262 1367339500 /nfs/dbraw/zinc/33/95/00/1367339500.db2.gz IFNJLQPHOGOZRX-UHFFFAOYSA-N 1 2 327.378 3.467 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)c2ccc(CC)cc2)C1 ZINC001108210801 1367344282 /nfs/dbraw/zinc/34/42/82/1367344282.db2.gz GQORMXZMWFWPGT-DYESRHJHSA-N 1 2 344.499 3.136 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)c2ccc(CC)cc2)C1 ZINC001108210801 1367344283 /nfs/dbraw/zinc/34/42/83/1367344283.db2.gz GQORMXZMWFWPGT-DYESRHJHSA-N 1 2 344.499 3.136 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC001108364780 1367414781 /nfs/dbraw/zinc/41/47/81/1367414781.db2.gz TYPURMZMYACSEL-INIZCTEOSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC001108364780 1367414786 /nfs/dbraw/zinc/41/47/86/1367414786.db2.gz TYPURMZMYACSEL-INIZCTEOSA-N 1 2 343.254 3.000 20 30 EGEDLO CCCCCCCNC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001191098625 1367423894 /nfs/dbraw/zinc/42/38/94/1367423894.db2.gz ZSQVGUSOEXLCSZ-UHFFFAOYSA-N 1 2 347.503 3.493 20 30 EGEDLO C=C(C)[C@H](CC(=O)N[C@@H](C)CNc1cc(C)[nH+]c(C(C)C)n1)OCC ZINC001108552029 1367487542 /nfs/dbraw/zinc/48/75/42/1367487542.db2.gz RWOVDIPOECLLEG-HOTGVXAUSA-N 1 2 348.491 3.196 20 30 EGEDLO CCC(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110307861 1367629371 /nfs/dbraw/zinc/62/93/71/1367629371.db2.gz VWCUESQZVJRQAS-QRVBRYPASA-N 1 2 325.456 3.216 20 30 EGEDLO CCC(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110307861 1367629376 /nfs/dbraw/zinc/62/93/76/1367629376.db2.gz VWCUESQZVJRQAS-QRVBRYPASA-N 1 2 325.456 3.216 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C(C)(C)C)on2)C1 ZINC001192073085 1367680920 /nfs/dbraw/zinc/68/09/20/1367680920.db2.gz PDBKJMWVTSUSMY-MRXNPFEDSA-N 1 2 333.476 3.361 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C(C)(C)C)on2)C1 ZINC001192073085 1367680926 /nfs/dbraw/zinc/68/09/26/1367680926.db2.gz PDBKJMWVTSUSMY-MRXNPFEDSA-N 1 2 333.476 3.361 20 30 EGEDLO N#Cc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C(F)(F)F)c1 ZINC001192092304 1367684928 /nfs/dbraw/zinc/68/49/28/1367684928.db2.gz YSFMJIVYEQJQGQ-LBPRGKRZSA-N 1 2 348.328 3.320 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)CC(=C)Br)C2)CCC1 ZINC001192218141 1367720668 /nfs/dbraw/zinc/72/06/68/1367720668.db2.gz NIBYZANDDXONFP-CQSZACIVSA-N 1 2 341.293 3.174 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)CC(=C)Br)C2)CCC1 ZINC001192218141 1367720671 /nfs/dbraw/zinc/72/06/71/1367720671.db2.gz NIBYZANDDXONFP-CQSZACIVSA-N 1 2 341.293 3.174 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccn(C(C)C)n3)C2)CCC1 ZINC001192226688 1367724153 /nfs/dbraw/zinc/72/41/53/1367724153.db2.gz LNBDRSOISOBTJD-GOSISDBHSA-N 1 2 344.503 3.243 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccn(C(C)C)n3)C2)CCC1 ZINC001192226688 1367724159 /nfs/dbraw/zinc/72/41/59/1367724159.db2.gz LNBDRSOISOBTJD-GOSISDBHSA-N 1 2 344.503 3.243 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@]2(C1)CCCN(c1cc[nH+]c(C)n1)C2 ZINC001110459006 1367747905 /nfs/dbraw/zinc/74/79/05/1367747905.db2.gz VKFWOKLNYONSDV-PXNSSMCTSA-N 1 2 342.487 3.206 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC2CC2)C3)c(F)c1 ZINC001109104941 1367772192 /nfs/dbraw/zinc/77/21/92/1367772192.db2.gz VFTCYTBTIRESJU-NEWSRXKRSA-N 1 2 341.430 3.109 20 30 EGEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC2CC2)C3)c(F)c1 ZINC001109104941 1367772195 /nfs/dbraw/zinc/77/21/95/1367772195.db2.gz VFTCYTBTIRESJU-NEWSRXKRSA-N 1 2 341.430 3.109 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)CCCC(C)C)C1 ZINC001192489919 1367794685 /nfs/dbraw/zinc/79/46/85/1367794685.db2.gz MBMGINLTVKXZEK-AWEZNQCLSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)CCCC(C)C)C1 ZINC001192489919 1367794690 /nfs/dbraw/zinc/79/46/90/1367794690.db2.gz MBMGINLTVKXZEK-AWEZNQCLSA-N 1 2 331.298 3.254 20 30 EGEDLO C[C@H](c1c(F)cccc1F)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110543593 1367820791 /nfs/dbraw/zinc/82/07/91/1367820791.db2.gz YUOMXUDBJMFKLW-FOZNTRSISA-N 1 2 344.405 3.161 20 30 EGEDLO C[C@H](c1c(F)cccc1F)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110543593 1367820796 /nfs/dbraw/zinc/82/07/96/1367820796.db2.gz YUOMXUDBJMFKLW-FOZNTRSISA-N 1 2 344.405 3.161 20 30 EGEDLO C=CCCC(=O)N1CC[C@](C)(CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001110832546 1368015880 /nfs/dbraw/zinc/01/58/80/1368015880.db2.gz KKKJFGIHYCTJBF-LJQANCHMSA-N 1 2 328.460 3.279 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](OCC)C1CCCC1)C2 ZINC001110865688 1368044237 /nfs/dbraw/zinc/04/42/37/1368044237.db2.gz AYPXCHXFVKIJGB-WCXIOVBPSA-N 1 2 340.895 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](OCC)C1CCCC1)C2 ZINC001110865688 1368044243 /nfs/dbraw/zinc/04/42/43/1368044243.db2.gz AYPXCHXFVKIJGB-WCXIOVBPSA-N 1 2 340.895 3.056 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc2ccccc2o1 ZINC001110897389 1368070897 /nfs/dbraw/zinc/07/08/97/1368070897.db2.gz LIXDQSMPAIALFB-BMFZPTHFSA-N 1 2 339.439 3.262 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc2ccccc2o1 ZINC001110897389 1368070903 /nfs/dbraw/zinc/07/09/03/1368070903.db2.gz LIXDQSMPAIALFB-BMFZPTHFSA-N 1 2 339.439 3.262 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(F)c1 ZINC001110925013 1368096861 /nfs/dbraw/zinc/09/68/61/1368096861.db2.gz CYVOLKMHSLVKPA-LZQZEXGQSA-N 1 2 346.421 3.380 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(F)c1 ZINC001110925013 1368096863 /nfs/dbraw/zinc/09/68/63/1368096863.db2.gz CYVOLKMHSLVKPA-LZQZEXGQSA-N 1 2 346.421 3.380 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cc(C)[nH+]c(C(C)C)n1)C2 ZINC001111150921 1368166911 /nfs/dbraw/zinc/16/69/11/1368166911.db2.gz UBJVKRJCVWQYJR-BBWFWOEESA-N 1 2 342.487 3.348 20 30 EGEDLO CCc1ccccc1[C@H](CNC(=O)C#CC1CC1)Nc1cc[nH+]c(C)n1 ZINC001111167405 1368177722 /nfs/dbraw/zinc/17/77/22/1368177722.db2.gz BAZQWYHGUFYJPG-IBGZPJMESA-N 1 2 348.450 3.030 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]([C@@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001111210286 1368190515 /nfs/dbraw/zinc/19/05/15/1368190515.db2.gz CCRLNVQTLONYOV-GDBMZVCRSA-N 1 2 328.460 3.278 20 30 EGEDLO Cn1c[nH+]cc1-c1cccc(C(=O)N(CCC#N)Cc2cccnc2)c1 ZINC001194886705 1368341264 /nfs/dbraw/zinc/34/12/64/1368341264.db2.gz NTYUKCCTTZOBBI-UHFFFAOYSA-N 1 2 345.406 3.038 20 30 EGEDLO CCC[C@@H](C)C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001195374491 1368429822 /nfs/dbraw/zinc/42/98/22/1368429822.db2.gz WAQVNNXNHFUXPK-QGZVFWFLSA-N 1 2 330.447 3.148 20 30 EGEDLO CCC[C@@H](C)C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001195374491 1368429828 /nfs/dbraw/zinc/42/98/28/1368429828.db2.gz WAQVNNXNHFUXPK-QGZVFWFLSA-N 1 2 330.447 3.148 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[N@@H+]([C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001195754544 1368482490 /nfs/dbraw/zinc/48/24/90/1368482490.db2.gz PZCNWXDVGCFGMF-HNNXBMFYSA-N 1 2 334.410 3.220 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[N@H+]([C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001195754544 1368482494 /nfs/dbraw/zinc/48/24/94/1368482494.db2.gz PZCNWXDVGCFGMF-HNNXBMFYSA-N 1 2 334.410 3.220 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[N@@H+]([C@H](C)c2cc(F)ccc2F)CC1 ZINC001195754227 1368482580 /nfs/dbraw/zinc/48/25/80/1368482580.db2.gz JTTAMRAHJIGAHY-OAHLLOKOSA-N 1 2 334.410 3.220 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[N@H+]([C@H](C)c2cc(F)ccc2F)CC1 ZINC001195754227 1368482584 /nfs/dbraw/zinc/48/25/84/1368482584.db2.gz JTTAMRAHJIGAHY-OAHLLOKOSA-N 1 2 334.410 3.220 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[N@@H+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC001195755069 1368482682 /nfs/dbraw/zinc/48/26/82/1368482682.db2.gz WRJXODOIHIOAMG-HNNXBMFYSA-N 1 2 334.410 3.220 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[N@H+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC001195755069 1368482683 /nfs/dbraw/zinc/48/26/83/1368482683.db2.gz WRJXODOIHIOAMG-HNNXBMFYSA-N 1 2 334.410 3.220 20 30 EGEDLO COc1ccc(Cl)cc1C[N@@H+]1CCCN(C(=O)C#CC(C)C)CC1 ZINC001195753740 1368482878 /nfs/dbraw/zinc/48/28/78/1368482878.db2.gz ANNXVZLURUMMHG-UHFFFAOYSA-N 1 2 348.874 3.042 20 30 EGEDLO COc1ccc(Cl)cc1C[N@H+]1CCCN(C(=O)C#CC(C)C)CC1 ZINC001195753740 1368482882 /nfs/dbraw/zinc/48/28/82/1368482882.db2.gz ANNXVZLURUMMHG-UHFFFAOYSA-N 1 2 348.874 3.042 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001111974033 1368583012 /nfs/dbraw/zinc/58/30/12/1368583012.db2.gz IOXGQFLPEIZYBV-MRXNPFEDSA-N 1 2 342.487 3.105 20 30 EGEDLO C=C/C(C)=C\CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001196824307 1368691265 /nfs/dbraw/zinc/69/12/65/1368691265.db2.gz ORUBGBPPRXFMCX-BNCCVWRVSA-N 1 2 341.430 3.254 20 30 EGEDLO C=C/C(C)=C\CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001196824307 1368691267 /nfs/dbraw/zinc/69/12/67/1368691267.db2.gz ORUBGBPPRXFMCX-BNCCVWRVSA-N 1 2 341.430 3.254 20 30 EGEDLO C=C/C(C)=C/CC(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001196825780 1368691399 /nfs/dbraw/zinc/69/13/99/1368691399.db2.gz WCMJMQQRVZNDKS-FZSIALSZSA-N 1 2 341.430 3.254 20 30 EGEDLO C=C/C(C)=C/CC(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001196825780 1368691406 /nfs/dbraw/zinc/69/14/06/1368691406.db2.gz WCMJMQQRVZNDKS-FZSIALSZSA-N 1 2 341.430 3.254 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+](Cc2cccc(OCC)n2)CC1 ZINC001196880988 1368705803 /nfs/dbraw/zinc/70/58/03/1368705803.db2.gz ONYQPZHONCQWGQ-QGZVFWFLSA-N 1 2 345.487 3.117 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@H+](Cc2cccc(OCC)n2)CC1 ZINC001196880988 1368705808 /nfs/dbraw/zinc/70/58/08/1368705808.db2.gz ONYQPZHONCQWGQ-QGZVFWFLSA-N 1 2 345.487 3.117 20 30 EGEDLO CCCC1(C(=O)N2CCC[N@H+](Cc3ccc(F)c(C#N)c3)CC2)CC1 ZINC001197110875 1368746861 /nfs/dbraw/zinc/74/68/61/1368746861.db2.gz PQQILRFSRJGVRT-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO CCCC1(C(=O)N2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)CC2)CC1 ZINC001197110875 1368746864 /nfs/dbraw/zinc/74/68/64/1368746864.db2.gz PQQILRFSRJGVRT-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CCCc2ccc(F)cc2)CC1 ZINC001197255838 1368773264 /nfs/dbraw/zinc/77/32/64/1368773264.db2.gz XORKKDBQASHZAK-UHFFFAOYSA-N 1 2 338.854 3.435 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CCCc2ccc(F)cc2)CC1 ZINC001197255838 1368773268 /nfs/dbraw/zinc/77/32/68/1368773268.db2.gz XORKKDBQASHZAK-UHFFFAOYSA-N 1 2 338.854 3.435 20 30 EGEDLO CCC[C@@H](CC)C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001197597667 1368850231 /nfs/dbraw/zinc/85/02/31/1368850231.db2.gz SDTHQLFHUXLCMI-QGZVFWFLSA-N 1 2 327.472 3.419 20 30 EGEDLO CCC[C@@H](CC)C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001197597667 1368850234 /nfs/dbraw/zinc/85/02/34/1368850234.db2.gz SDTHQLFHUXLCMI-QGZVFWFLSA-N 1 2 327.472 3.419 20 30 EGEDLO CC(C)C[C@H](C)C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001197605894 1368852679 /nfs/dbraw/zinc/85/26/79/1368852679.db2.gz KGSQSIXUQFHOJC-KRWDZBQOSA-N 1 2 327.472 3.275 20 30 EGEDLO CC(C)C[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001197605894 1368852681 /nfs/dbraw/zinc/85/26/81/1368852681.db2.gz KGSQSIXUQFHOJC-KRWDZBQOSA-N 1 2 327.472 3.275 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@H](C)C1 ZINC001112486933 1368884051 /nfs/dbraw/zinc/88/40/51/1368884051.db2.gz FXXIDEKKCRVBRJ-CXAGYDPISA-N 1 2 344.503 3.478 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@H](C)C1 ZINC001112495164 1368891037 /nfs/dbraw/zinc/89/10/37/1368891037.db2.gz OJPJJCMIUSFYAH-NVXWUHKLSA-N 1 2 342.487 3.492 20 30 EGEDLO CC(C)C#CC(=O)N1CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC001112833068 1369034717 /nfs/dbraw/zinc/03/47/17/1369034717.db2.gz FOAYPEANAXIIEJ-IBGZPJMESA-N 1 2 328.431 3.007 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CC1(C)C)c1ccccc1OC ZINC001198669297 1369087326 /nfs/dbraw/zinc/08/73/26/1369087326.db2.gz YXSBOEDMIBKAMI-GJZGRUSLSA-N 1 2 336.863 3.241 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)c1coc(C)c1)c1ccccc1OC ZINC001198687050 1369092218 /nfs/dbraw/zinc/09/22/18/1369092218.db2.gz VWCKYMUKYRDHSR-INIZCTEOSA-N 1 2 348.830 3.410 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)C1(C2CC2)CC1)c1ccccc1OC ZINC001198766666 1369108772 /nfs/dbraw/zinc/10/87/72/1369108772.db2.gz FWJNIZUTUNJEES-INIZCTEOSA-N 1 2 348.874 3.385 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC[NH+](Cc2cccc(OC)c2C)CC1 ZINC001113229853 1369277467 /nfs/dbraw/zinc/27/74/67/1369277467.db2.gz SKHIQOZCKDVONY-HOTGVXAUSA-N 1 2 330.472 3.106 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[NH+](CCOc2ccc(C)cc2)CC1 ZINC001113239955 1369287074 /nfs/dbraw/zinc/28/70/74/1369287074.db2.gz YVFFGMPGYZNUHV-SFHVURJKSA-N 1 2 330.472 3.120 20 30 EGEDLO C=CCCC1(C(=O)N2CC[NH+](CCOc3cccc(C)c3)CC2)CC1 ZINC001113305284 1369333769 /nfs/dbraw/zinc/33/37/69/1369333769.db2.gz JRDDSDJEHGMULF-UHFFFAOYSA-N 1 2 342.483 3.264 20 30 EGEDLO CCCCCCCCCNC(=S)N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001200378059 1369357376 /nfs/dbraw/zinc/35/73/76/1369357376.db2.gz KOXCFRLINZBRTL-MRXNPFEDSA-N 1 2 341.565 3.064 20 30 EGEDLO CCCCCCCCCNC(=S)N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001200378059 1369357377 /nfs/dbraw/zinc/35/73/77/1369357377.db2.gz KOXCFRLINZBRTL-MRXNPFEDSA-N 1 2 341.565 3.064 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N(C)CC(C)(C)CNc1cc[nH+]c(C)n1)OCC ZINC001113439232 1369429414 /nfs/dbraw/zinc/42/94/14/1369429414.db2.gz LABBYIDWJUXBQI-MRXNPFEDSA-N 1 2 348.491 3.053 20 30 EGEDLO C=CC[C@H](C(=O)N1CC[NH+](Cc2ncccc2C)CC1)c1ccccc1 ZINC001113662950 1369550641 /nfs/dbraw/zinc/55/06/41/1369550641.db2.gz PXQJJAAWCNVTSD-FQEVSTJZSA-N 1 2 349.478 3.394 20 30 EGEDLO CCCCCCCCCCS(=O)(=O)NCCc1cn(C)c[nH+]1 ZINC001201836343 1369631744 /nfs/dbraw/zinc/63/17/44/1369631744.db2.gz XWIQMGUKPUWKTA-UHFFFAOYSA-N 1 2 329.510 3.023 20 30 EGEDLO C#CCCCCC(=O)N(C)CC[C@@H](Nc1cc[nH+]c(C)n1)C(C)C ZINC001114094415 1369731767 /nfs/dbraw/zinc/73/17/67/1369731767.db2.gz JSENQZMUQPQXME-QGZVFWFLSA-N 1 2 330.476 3.264 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(Cl)cc3F)C[C@H]21 ZINC001114260718 1369835398 /nfs/dbraw/zinc/83/53/98/1369835398.db2.gz RVYZGCIKHLSQFN-HWWDLCQESA-N 1 2 348.849 3.075 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(Cl)cc3F)C[C@H]21 ZINC001114260718 1369835403 /nfs/dbraw/zinc/83/54/03/1369835403.db2.gz RVYZGCIKHLSQFN-HWWDLCQESA-N 1 2 348.849 3.075 20 30 EGEDLO N#Cc1cccc(NC(=O)NCc2c[nH+]cn2Cc2ccc(F)cc2)c1 ZINC001202797648 1369895929 /nfs/dbraw/zinc/89/59/29/1369895929.db2.gz CGFSXLVJGHTRHY-UHFFFAOYSA-N 1 2 349.369 3.264 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC001114722353 1370046081 /nfs/dbraw/zinc/04/60/81/1370046081.db2.gz GKQKGEMHPIOGHZ-VZEFYGNVSA-N 1 2 345.512 3.169 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC001114722353 1370046085 /nfs/dbraw/zinc/04/60/85/1370046085.db2.gz GKQKGEMHPIOGHZ-VZEFYGNVSA-N 1 2 345.512 3.169 20 30 EGEDLO N#Cc1ccc(C=CNc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC001203305834 1370073688 /nfs/dbraw/zinc/07/36/88/1370073688.db2.gz RIWAZFOHRUNJIY-MDZDMXLPSA-N 1 2 349.434 3.352 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(C#N)cc2)CC12CC2 ZINC001203905293 1370309307 /nfs/dbraw/zinc/30/93/07/1370309307.db2.gz GMSFLJMJHRHAFV-UHFFFAOYSA-N 1 2 327.428 3.144 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(C#N)cc2)CC12CC2 ZINC001203905293 1370309312 /nfs/dbraw/zinc/30/93/12/1370309312.db2.gz GMSFLJMJHRHAFV-UHFFFAOYSA-N 1 2 327.428 3.144 20 30 EGEDLO C=CCCCC(=O)N1CCC(N(C)c2nc(C)[nH+]c(C)c2C)CC1 ZINC001115153368 1370315364 /nfs/dbraw/zinc/31/53/64/1370315364.db2.gz FDDNMGVIVUSRMC-UHFFFAOYSA-N 1 2 330.476 3.185 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3nc(C)no3)C[C@H]21 ZINC001115165113 1370323347 /nfs/dbraw/zinc/32/33/47/1370323347.db2.gz ANNZGEYDQGLCSD-KMANFZQXSA-N 1 2 348.491 3.236 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3nc(C)no3)C[C@H]21 ZINC001115165113 1370323349 /nfs/dbraw/zinc/32/33/49/1370323349.db2.gz ANNZGEYDQGLCSD-KMANFZQXSA-N 1 2 348.491 3.236 20 30 EGEDLO OC[C@H]1C[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C[C@@H]1C(F)(F)F ZINC001204482768 1370488052 /nfs/dbraw/zinc/48/80/52/1370488052.db2.gz MKDQSXRLIJNVEF-KOLCDFICSA-N 1 2 345.258 3.447 20 30 EGEDLO OC[C@H]1C[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C[C@@H]1C(F)(F)F ZINC001204482768 1370488057 /nfs/dbraw/zinc/48/80/57/1370488057.db2.gz MKDQSXRLIJNVEF-KOLCDFICSA-N 1 2 345.258 3.447 20 30 EGEDLO C=CCC1(C(=O)N(C)[C@@H](CNc2cc[nH+]c(C)n2)C2CC2)CCC1 ZINC001115575570 1370578498 /nfs/dbraw/zinc/57/84/98/1370578498.db2.gz SJMVNUMFKKQEHS-INIZCTEOSA-N 1 2 328.460 3.180 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccc(OC)cc1F)CCO2 ZINC001204923258 1370607273 /nfs/dbraw/zinc/60/72/73/1370607273.db2.gz STXSURDSXXPXQO-YLJYHZDGSA-N 1 2 349.446 3.408 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1ccc(OC)cc1F)CCO2 ZINC001204923258 1370607275 /nfs/dbraw/zinc/60/72/75/1370607275.db2.gz STXSURDSXXPXQO-YLJYHZDGSA-N 1 2 349.446 3.408 20 30 EGEDLO C=CCOCc1ncn2c1C[N@H+](Cc1ccc(C)c(F)c1)CCC2 ZINC001205215797 1370684558 /nfs/dbraw/zinc/68/45/58/1370684558.db2.gz XDHBGAVTHWJTJQ-UHFFFAOYSA-N 1 2 329.419 3.439 20 30 EGEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1ccc(C)c(F)c1)CCC2 ZINC001205215797 1370684560 /nfs/dbraw/zinc/68/45/60/1370684560.db2.gz XDHBGAVTHWJTJQ-UHFFFAOYSA-N 1 2 329.419 3.439 20 30 EGEDLO C[NH+]1CCN(c2ccc(CN=Nc3ncccc3Cl)cc2F)CC1 ZINC001115863028 1370798555 /nfs/dbraw/zinc/79/85/55/1370798555.db2.gz MMWLNPHKJVUUFG-UHFFFAOYSA-N 1 2 347.825 3.072 20 30 EGEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1cccc(F)c1C#N ZINC001206509535 1371078440 /nfs/dbraw/zinc/07/84/40/1371078440.db2.gz KEXDDXCFAKFJCM-UHFFFAOYSA-N 1 2 326.371 3.205 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ccn(C(CC)CC)n2)C[C@H]1C ZINC001206537185 1371086156 /nfs/dbraw/zinc/08/61/56/1371086156.db2.gz KZNQMCXPQWXNIV-CRAIPNDOSA-N 1 2 332.492 3.147 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C(CC)CC)n2)C[C@H]1C ZINC001206537185 1371086158 /nfs/dbraw/zinc/08/61/58/1371086158.db2.gz KZNQMCXPQWXNIV-CRAIPNDOSA-N 1 2 332.492 3.147 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001207158196 1371313936 /nfs/dbraw/zinc/31/39/36/1371313936.db2.gz KSZVKBQJLMTKDO-DGCLKSJQSA-N 1 2 341.908 3.335 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001207158196 1371313939 /nfs/dbraw/zinc/31/39/39/1371313939.db2.gz KSZVKBQJLMTKDO-DGCLKSJQSA-N 1 2 341.908 3.335 20 30 EGEDLO O=C1C=C2C[N@H+](CCc3cccc(Br)c3)CC[C@H]2S1 ZINC001207505988 1371419359 /nfs/dbraw/zinc/41/93/59/1371419359.db2.gz BDFLWJUEXRFBLC-CQSZACIVSA-N 1 2 338.270 3.266 20 30 EGEDLO O=C1C=C2C[N@@H+](CCc3cccc(Br)c3)CC[C@H]2S1 ZINC001207505988 1371419362 /nfs/dbraw/zinc/41/93/62/1371419362.db2.gz BDFLWJUEXRFBLC-CQSZACIVSA-N 1 2 338.270 3.266 20 30 EGEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1CC1=CC[C@@H](C(=C)C)CC1 ZINC001208171255 1371617234 /nfs/dbraw/zinc/61/72/34/1371617234.db2.gz RHYHLTJSISPCBE-MJGOQNOKSA-N 1 2 342.487 3.220 20 30 EGEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1CC1=CC[C@@H](C(=C)C)CC1 ZINC001208171255 1371617243 /nfs/dbraw/zinc/61/72/43/1371617243.db2.gz RHYHLTJSISPCBE-MJGOQNOKSA-N 1 2 342.487 3.220 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc(C(C)C)no2)C[C@H]1C ZINC001208302183 1371706573 /nfs/dbraw/zinc/70/65/73/1371706573.db2.gz ZEYLRHQNCJUQAA-RBSFLKMASA-N 1 2 348.491 3.293 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc(C(C)C)no2)C[C@H]1C ZINC001208302183 1371706575 /nfs/dbraw/zinc/70/65/75/1371706575.db2.gz ZEYLRHQNCJUQAA-RBSFLKMASA-N 1 2 348.491 3.293 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2noc3c2CCCC3)C[C@H]1C ZINC001208393596 1371751046 /nfs/dbraw/zinc/75/10/46/1371751046.db2.gz UBAHIQYYHDMLKL-HLLBOEOZSA-N 1 2 345.487 3.092 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2noc3c2CCCC3)C[C@H]1C ZINC001208393596 1371751048 /nfs/dbraw/zinc/75/10/48/1371751048.db2.gz UBAHIQYYHDMLKL-HLLBOEOZSA-N 1 2 345.487 3.092 20 30 EGEDLO N#Cc1ccccc1N1CC[NH+](CCc2cc(F)c(F)cc2F)CC1 ZINC001209245393 1372049226 /nfs/dbraw/zinc/04/92/26/1372049226.db2.gz BCMRQEBKSPQTEF-UHFFFAOYSA-N 1 2 345.368 3.340 20 30 EGEDLO CC[C@@H]1C[C@@H](C)CN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CC ZINC001121712293 1372055376 /nfs/dbraw/zinc/05/53/76/1372055376.db2.gz MIRABCDDMCFPHJ-NVXWUHKLSA-N 1 2 344.507 3.016 20 30 EGEDLO C=CCCC1(C(=O)N2CCC[C@@H]([NH2+][C@@H](C)c3nc(CC)no3)C2)CC1 ZINC001209453943 1372110359 /nfs/dbraw/zinc/11/03/59/1372110359.db2.gz HGFLHXNTLARXHB-LSDHHAIUSA-N 1 2 346.475 3.020 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cnc(Cl)s1)C2 ZINC001209470216 1372113746 /nfs/dbraw/zinc/11/37/46/1372113746.db2.gz AOIZVYMOEVZUDR-DOMZBBRYSA-N 1 2 328.865 3.123 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cnc(Cl)s1)C2 ZINC001209470216 1372113750 /nfs/dbraw/zinc/11/37/50/1372113750.db2.gz AOIZVYMOEVZUDR-DOMZBBRYSA-N 1 2 328.865 3.123 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cnc(Cl)s1)C2 ZINC001209470218 1372115049 /nfs/dbraw/zinc/11/50/49/1372115049.db2.gz AOIZVYMOEVZUDR-SWLSCSKDSA-N 1 2 328.865 3.123 20 30 EGEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cnc(Cl)s1)C2 ZINC001209470218 1372115052 /nfs/dbraw/zinc/11/50/52/1372115052.db2.gz AOIZVYMOEVZUDR-SWLSCSKDSA-N 1 2 328.865 3.123 20 30 EGEDLO N#C[C@@H]1C[NH2+]CCN1Cc1ccccc1Oc1cccc(Cl)c1 ZINC001210123009 1372276118 /nfs/dbraw/zinc/27/61/18/1372276118.db2.gz XPEBSBNDHHEPNW-MRXNPFEDSA-N 1 2 327.815 3.430 20 30 EGEDLO Cc1cc(CN2CC[NH2+]C[C@@H]2C#N)ccc1Oc1ccc(F)cc1 ZINC001210197014 1372292860 /nfs/dbraw/zinc/29/28/60/1372292860.db2.gz VJJPOHMOYPLMBX-KRWDZBQOSA-N 1 2 325.387 3.224 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)n(C)n2)C[C@H]1C ZINC001210546899 1372375513 /nfs/dbraw/zinc/37/55/13/1372375513.db2.gz DKXHZWYZLNLPRA-VQIMIIECSA-N 1 2 348.535 3.416 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)n(C)n2)C[C@H]1C ZINC001210546899 1372375516 /nfs/dbraw/zinc/37/55/16/1372375516.db2.gz DKXHZWYZLNLPRA-VQIMIIECSA-N 1 2 348.535 3.416 20 30 EGEDLO CC#CCCCC(=O)N1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001123309853 1372421239 /nfs/dbraw/zinc/42/12/39/1372421239.db2.gz QTMULWSWEKEULV-WBVHZDCISA-N 1 2 340.471 3.257 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)c2cccc(COc3ccccc3)c2)CC1 ZINC001187968505 1388200656 /nfs/dbraw/zinc/20/06/56/1388200656.db2.gz CFRLMWBFOWXKJO-UHFFFAOYSA-N 1 2 336.435 3.209 20 30 EGEDLO C=CCCC(=O)N[C@@]12CCC[C@H]1N(c1cc(C)[nH+]c(C3CC3)n1)CC2 ZINC001123384849 1372449438 /nfs/dbraw/zinc/44/94/38/1372449438.db2.gz FYTOAMZOTRIPID-OXQOHEQNSA-N 1 2 340.471 3.246 20 30 EGEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1N(c1nc(C)[nH+]c(C)c1C)CC2 ZINC001123438397 1372468867 /nfs/dbraw/zinc/46/88/67/1372468867.db2.gz HKZPJOOHHGCLHY-XLIONFOSSA-N 1 2 342.487 3.376 20 30 EGEDLO C#CCCCCC(=O)N1C[C@@H]2CCC[C@H](Nc3cc[nH+]c(C)n3)[C@H]2C1 ZINC001123487104 1372487133 /nfs/dbraw/zinc/48/71/33/1372487133.db2.gz MTISXLCLSBOARA-BZSNNMDCSA-N 1 2 340.471 3.018 20 30 EGEDLO N#Cc1nc2ccc(Nc3ccc[nH+]c3N3CCOCC3)cc2s1 ZINC001212361785 1372694713 /nfs/dbraw/zinc/69/47/13/1372694713.db2.gz ACPDYZGTVNKBLS-UHFFFAOYSA-N 1 2 337.408 3.143 20 30 EGEDLO Cc1ncc(-c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)cc1C#N ZINC001213092398 1372838163 /nfs/dbraw/zinc/83/81/63/1372838163.db2.gz QIZFGVPHDYYVDM-UHFFFAOYSA-N 1 2 328.335 3.164 20 30 EGEDLO Cc1cc(NC[C@@H](NC(=O)C#CC(C)C)C(C)(C)C)nc(C2CC2)[nH+]1 ZINC001125889248 1372882816 /nfs/dbraw/zinc/88/28/16/1372882816.db2.gz JRJHFUFEOJQWRW-MRXNPFEDSA-N 1 2 342.487 3.265 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N[C@H](CNc1cc[nH+]c(C)n1)C(C)(C)C)OCC ZINC001126002515 1372908129 /nfs/dbraw/zinc/90/81/29/1372908129.db2.gz FMBOSKNLRKPZNS-HZPDHXFCSA-N 1 2 348.491 3.099 20 30 EGEDLO C#CCCCCC(=O)N(CC)[C@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001126804889 1373031240 /nfs/dbraw/zinc/03/12/40/1373031240.db2.gz WQZBGDXXRUJBJZ-SFHVURJKSA-N 1 2 342.487 3.186 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H](C)CCC)c2C1 ZINC001128264203 1373243672 /nfs/dbraw/zinc/24/36/72/1373243672.db2.gz KQRNFZQDQVEQKQ-KRWDZBQOSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@@H](C)CCC)c2C1 ZINC001128264203 1373243675 /nfs/dbraw/zinc/24/36/75/1373243675.db2.gz KQRNFZQDQVEQKQ-KRWDZBQOSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C(C)(C)C3CCCC3)c2C1 ZINC001128382508 1373259123 /nfs/dbraw/zinc/25/91/23/1373259123.db2.gz WDEYKGWZSNFDKF-UHFFFAOYSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C(C)(C)C3CCCC3)c2C1 ZINC001128382508 1373259126 /nfs/dbraw/zinc/25/91/26/1373259126.db2.gz WDEYKGWZSNFDKF-UHFFFAOYSA-N 1 2 344.503 3.107 20 30 EGEDLO Cc1[nH+]c2ccc(N)cc2n1-c1ccc(OC2CCOCC2)c(C#N)c1 ZINC001216667578 1373329044 /nfs/dbraw/zinc/32/90/44/1373329044.db2.gz GBNHHFJAPJMPQZ-UHFFFAOYSA-N 1 2 348.406 3.346 20 30 EGEDLO Cn1cc[nH+]c1C[C@H](NC(=O)c1ccc(C#N)cc1F)c1ccccc1 ZINC001131586773 1373725973 /nfs/dbraw/zinc/72/59/73/1373725973.db2.gz JCSWXRMSGQJDQR-SFHVURJKSA-N 1 2 348.381 3.145 20 30 EGEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)c3ccc(F)cc3F)C[C@H]21 ZINC001221530333 1373777429 /nfs/dbraw/zinc/77/74/29/1373777429.db2.gz GQFMXDODMQXBAF-SPYBWZPUSA-N 1 2 346.421 3.218 20 30 EGEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@H+]([C@H](C)c3ccc(F)cc3F)C[C@H]21 ZINC001221530333 1373777430 /nfs/dbraw/zinc/77/74/30/1373777430.db2.gz GQFMXDODMQXBAF-SPYBWZPUSA-N 1 2 346.421 3.218 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)CCSCC)CC[C@@H]1C ZINC001131847257 1373833688 /nfs/dbraw/zinc/83/36/88/1373833688.db2.gz AJTOLCASRKMMNW-QWHCGFSZSA-N 1 2 349.338 3.007 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)CCSCC)CC[C@@H]1C ZINC001131847257 1373833693 /nfs/dbraw/zinc/83/36/93/1373833693.db2.gz AJTOLCASRKMMNW-QWHCGFSZSA-N 1 2 349.338 3.007 20 30 EGEDLO N#Cc1cccc(CO[C@@H]2CCC[N@@H+](Cc3cnc(Cl)s3)C2)n1 ZINC001223061769 1375030059 /nfs/dbraw/zinc/03/00/59/1375030059.db2.gz PSBWYPHZEXPRRJ-CQSZACIVSA-N 1 2 348.859 3.244 20 30 EGEDLO N#Cc1cccc(CO[C@@H]2CCC[N@H+](Cc3cnc(Cl)s3)C2)n1 ZINC001223061769 1375030063 /nfs/dbraw/zinc/03/00/63/1375030063.db2.gz PSBWYPHZEXPRRJ-CQSZACIVSA-N 1 2 348.859 3.244 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001132001714 1375092325 /nfs/dbraw/zinc/09/23/25/1375092325.db2.gz CCWUTAKNAVTJKH-ZBFHGGJFSA-N 1 2 348.874 3.318 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC001132001714 1375092328 /nfs/dbraw/zinc/09/23/28/1375092328.db2.gz CCWUTAKNAVTJKH-ZBFHGGJFSA-N 1 2 348.874 3.318 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2c(F)cccc2F)C1 ZINC001132003615 1375094711 /nfs/dbraw/zinc/09/47/11/1375094711.db2.gz XYKHCKLEAFWIPZ-CABCVRRESA-N 1 2 334.410 3.237 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2c(F)cccc2F)C1 ZINC001132003615 1375094716 /nfs/dbraw/zinc/09/47/16/1375094716.db2.gz XYKHCKLEAFWIPZ-CABCVRRESA-N 1 2 334.410 3.237 20 30 EGEDLO CCCCCCCCC(=O)NCC1CC[NH+](Cc2cnon2)CC1 ZINC001225245995 1375098856 /nfs/dbraw/zinc/09/88/56/1375098856.db2.gz YXUDVVOYQUSBFD-UHFFFAOYSA-N 1 2 336.480 3.148 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1ccc(F)cc1F ZINC001132035174 1375109796 /nfs/dbraw/zinc/10/97/96/1375109796.db2.gz YLRJHTOYMOSFLF-PBHICJAKSA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1ccc(F)cc1F ZINC001132035174 1375109802 /nfs/dbraw/zinc/10/98/02/1375109802.db2.gz YLRJHTOYMOSFLF-PBHICJAKSA-N 1 2 348.437 3.483 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001132072385 1375132849 /nfs/dbraw/zinc/13/28/49/1375132849.db2.gz KWBYEHPLTKXNCP-CVEARBPZSA-N 1 2 345.487 3.379 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001132072385 1375132853 /nfs/dbraw/zinc/13/28/53/1375132853.db2.gz KWBYEHPLTKXNCP-CVEARBPZSA-N 1 2 345.487 3.379 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001132218833 1375216893 /nfs/dbraw/zinc/21/68/93/1375216893.db2.gz WVZHXUBVFOUEDW-DZGCQCFKSA-N 1 2 335.879 3.416 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(Cl)n2)C1 ZINC001132218833 1375216894 /nfs/dbraw/zinc/21/68/94/1375216894.db2.gz WVZHXUBVFOUEDW-DZGCQCFKSA-N 1 2 335.879 3.416 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3snnc3C)C2)CCC1 ZINC001132282780 1375265833 /nfs/dbraw/zinc/26/58/33/1375265833.db2.gz MVZXXTDBNQBIPM-ZFWWWQNUSA-N 1 2 348.516 3.062 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3snnc3C)C2)CCC1 ZINC001132282780 1375265838 /nfs/dbraw/zinc/26/58/38/1375265838.db2.gz MVZXXTDBNQBIPM-ZFWWWQNUSA-N 1 2 348.516 3.062 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2ccc3c(c2)CCC(=O)C3)C1 ZINC001227045357 1375381474 /nfs/dbraw/zinc/38/14/74/1375381474.db2.gz QCFGOWZBFGVBOL-QFIPXVFZSA-N 1 2 346.430 3.269 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2ccc3c(c2)CCC(=O)C3)C1 ZINC001227045357 1375381480 /nfs/dbraw/zinc/38/14/80/1375381480.db2.gz QCFGOWZBFGVBOL-QFIPXVFZSA-N 1 2 346.430 3.269 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC(F)(F)C(F)(F)F)CC[C@H]1C ZINC001132542105 1375449752 /nfs/dbraw/zinc/44/97/52/1375449752.db2.gz NXPFIVWOIJUARC-NXEZZACHSA-N 1 2 348.743 3.296 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC(F)(F)C(F)(F)F)CC[C@H]1C ZINC001132542105 1375449756 /nfs/dbraw/zinc/44/97/56/1375449756.db2.gz NXPFIVWOIJUARC-NXEZZACHSA-N 1 2 348.743 3.296 20 30 EGEDLO C=C(C)CCC(=O)NC1CC[NH+]([C@@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC001227607142 1375452948 /nfs/dbraw/zinc/45/29/48/1375452948.db2.gz LLZKXVKNYKFQOS-AWEZNQCLSA-N 1 2 348.491 3.365 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2ccnc(Cl)c2F)C1 ZINC001228580926 1375604023 /nfs/dbraw/zinc/60/40/23/1375604023.db2.gz VHIBUYCFWSEDFZ-CQSZACIVSA-N 1 2 331.778 3.399 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccnc(Cl)c2F)C1 ZINC001228580926 1375604027 /nfs/dbraw/zinc/60/40/27/1375604027.db2.gz VHIBUYCFWSEDFZ-CQSZACIVSA-N 1 2 331.778 3.399 20 30 EGEDLO CC[C@@H](F)C(=O)NC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC001228651349 1375627836 /nfs/dbraw/zinc/62/78/36/1375627836.db2.gz CZNDMWGOYJXDEE-QGZVFWFLSA-N 1 2 336.838 3.020 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC001228786786 1375677103 /nfs/dbraw/zinc/67/71/03/1375677103.db2.gz QHZBSZJGXDBJQF-LBPRGKRZSA-N 1 2 341.908 3.479 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC001228809808 1375682952 /nfs/dbraw/zinc/68/29/52/1375682952.db2.gz LVRBYFHRBZMVIJ-AWEZNQCLSA-N 1 2 335.517 3.388 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC001228809810 1375683468 /nfs/dbraw/zinc/68/34/68/1375683468.db2.gz LVRBYFHRBZMVIJ-CQSZACIVSA-N 1 2 335.517 3.388 20 30 EGEDLO C=CCc1ccc(O)c(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001229338592 1375812640 /nfs/dbraw/zinc/81/26/40/1375812640.db2.gz ITMPSNZAOKCKJV-LJQANCHMSA-N 1 2 339.435 3.401 20 30 EGEDLO C=CCc1ccc(O)c(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001229338592 1375812649 /nfs/dbraw/zinc/81/26/49/1375812649.db2.gz ITMPSNZAOKCKJV-LJQANCHMSA-N 1 2 339.435 3.401 20 30 EGEDLO C=CCC1(C(=O)NCC[NH2+][C@H](C)c2ncc(C(C)(C)C)o2)CCC1 ZINC001133397160 1375981361 /nfs/dbraw/zinc/98/13/61/1375981361.db2.gz CJHFMOKLCKZIHO-CQSZACIVSA-N 1 2 333.476 3.485 20 30 EGEDLO C=CCCC1(C(=O)NCCC[N@@H+](CCF)Cc2cccnc2)CC1 ZINC001230838677 1376164307 /nfs/dbraw/zinc/16/43/07/1376164307.db2.gz RGIRQVATSGHPLE-UHFFFAOYSA-N 1 2 333.451 3.106 20 30 EGEDLO C=CCCC1(C(=O)NCCC[N@H+](CCF)Cc2cccnc2)CC1 ZINC001230838677 1376164312 /nfs/dbraw/zinc/16/43/12/1376164312.db2.gz RGIRQVATSGHPLE-UHFFFAOYSA-N 1 2 333.451 3.106 20 30 EGEDLO C/C(=C\C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F)C1CC1 ZINC001230947912 1376186303 /nfs/dbraw/zinc/18/63/03/1376186303.db2.gz ILRDBVWKYWWKMP-MXHVWWQHSA-N 1 2 341.430 3.086 20 30 EGEDLO C/C(=C\C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1F)C1CC1 ZINC001230947912 1376186305 /nfs/dbraw/zinc/18/63/05/1376186305.db2.gz ILRDBVWKYWWKMP-MXHVWWQHSA-N 1 2 341.430 3.086 20 30 EGEDLO CC(C)[C@H](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001231112841 1376205695 /nfs/dbraw/zinc/20/56/95/1376205695.db2.gz FVXSBWORRVFFGC-QAPCUYQASA-N 1 2 345.462 3.412 20 30 EGEDLO CC(C)[C@H](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001231112841 1376205697 /nfs/dbraw/zinc/20/56/97/1376205697.db2.gz FVXSBWORRVFFGC-QAPCUYQASA-N 1 2 345.462 3.412 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001231911467 1376347472 /nfs/dbraw/zinc/34/74/72/1376347472.db2.gz MAHZQJJZBAHQRR-YJBOKZPZSA-N 1 2 337.847 3.372 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001231911467 1376347475 /nfs/dbraw/zinc/34/74/75/1376347475.db2.gz MAHZQJJZBAHQRR-YJBOKZPZSA-N 1 2 337.847 3.372 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc(O)c3)CC2)cc1Cl ZINC001232115767 1376401766 /nfs/dbraw/zinc/40/17/66/1376401766.db2.gz AXOPDPFSQULDGY-UHFFFAOYSA-N 1 2 327.815 3.239 20 30 EGEDLO N#Cc1cccc(N2CC[NH+](Cc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC001232116741 1376402281 /nfs/dbraw/zinc/40/22/81/1376402281.db2.gz PBFJYSJVXIHWHC-UHFFFAOYSA-N 1 2 336.826 3.406 20 30 EGEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc(C)ccc2OC(C)C)CC1 ZINC001232398901 1376456719 /nfs/dbraw/zinc/45/67/19/1376456719.db2.gz FYVMABVERSRFAH-UHFFFAOYSA-N 1 2 330.428 3.061 20 30 EGEDLO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232679424 1376500161 /nfs/dbraw/zinc/50/01/61/1376500161.db2.gz KELVCKJIJLYXHL-UHFFFAOYSA-N 1 2 345.443 3.095 20 30 EGEDLO N#Cc1ccc(O)c(C[NH+]2CCN(c3ccccc3Cl)CC2)c1 ZINC001232679473 1376501044 /nfs/dbraw/zinc/50/10/44/1376501044.db2.gz MOUQXRBMOYESGF-UHFFFAOYSA-N 1 2 327.815 3.239 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)ccc1Br ZINC001232893663 1376536021 /nfs/dbraw/zinc/53/60/21/1376536021.db2.gz LMVIZKBTPFOQCM-BBRMVZONSA-N 1 2 335.245 3.322 20 30 EGEDLO N#Cc1cc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)ccc1Br ZINC001232893663 1376536029 /nfs/dbraw/zinc/53/60/29/1376536029.db2.gz LMVIZKBTPFOQCM-BBRMVZONSA-N 1 2 335.245 3.322 20 30 EGEDLO C[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1)C1CC1 ZINC001233530503 1376661821 /nfs/dbraw/zinc/66/18/21/1376661821.db2.gz UPPOXUBEJWPRCA-DNVCBOLYSA-N 1 2 344.886 3.270 20 30 EGEDLO C[C@@H](C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1)C1CC1 ZINC001233530503 1376661823 /nfs/dbraw/zinc/66/18/23/1376661823.db2.gz UPPOXUBEJWPRCA-DNVCBOLYSA-N 1 2 344.886 3.270 20 30 EGEDLO CC[C@H](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001233927597 1376738656 /nfs/dbraw/zinc/73/86/56/1376738656.db2.gz YPCFZPXRXMKGNI-YOEHRIQHSA-N 1 2 331.435 3.166 20 30 EGEDLO CC[C@H](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001233927597 1376738657 /nfs/dbraw/zinc/73/86/57/1376738657.db2.gz YPCFZPXRXMKGNI-YOEHRIQHSA-N 1 2 331.435 3.166 20 30 EGEDLO CC[C@@H](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001233927590 1376739202 /nfs/dbraw/zinc/73/92/02/1376739202.db2.gz YPCFZPXRXMKGNI-PBHICJAKSA-N 1 2 331.435 3.166 20 30 EGEDLO CC[C@@H](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001233927590 1376739206 /nfs/dbraw/zinc/73/92/06/1376739206.db2.gz YPCFZPXRXMKGNI-PBHICJAKSA-N 1 2 331.435 3.166 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cccc(OC)c1Cl ZINC001233946447 1376740835 /nfs/dbraw/zinc/74/08/35/1376740835.db2.gz BLLSYGZYPCKDHP-MRXNPFEDSA-N 1 2 348.874 3.185 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cccc(OC)c1Cl ZINC001233946447 1376740841 /nfs/dbraw/zinc/74/08/41/1376740841.db2.gz BLLSYGZYPCKDHP-MRXNPFEDSA-N 1 2 348.874 3.185 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(F)(F)C(F)F ZINC001135180399 1376953121 /nfs/dbraw/zinc/95/31/21/1376953121.db2.gz GRCJUPQWTDBJIL-GHMZBOCLSA-N 1 2 326.378 3.362 20 30 EGEDLO CCC1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)CCC1 ZINC001266233460 1377240397 /nfs/dbraw/zinc/24/03/97/1377240397.db2.gz LEQVWTMKUZNYPY-QGZVFWFLSA-N 1 2 343.446 3.358 20 30 EGEDLO CCC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)CCC1 ZINC001266233460 1377240399 /nfs/dbraw/zinc/24/03/99/1377240399.db2.gz LEQVWTMKUZNYPY-QGZVFWFLSA-N 1 2 343.446 3.358 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)CCCC(C)C)[C@@H]2C1 ZINC001189224581 1388488033 /nfs/dbraw/zinc/48/80/33/1388488033.db2.gz XKOYNFATWDVLLO-LSDHHAIUSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCC(C)C)[C@@H]2C1 ZINC001189224581 1388488038 /nfs/dbraw/zinc/48/80/38/1388488038.db2.gz XKOYNFATWDVLLO-LSDHHAIUSA-N 1 2 343.309 3.254 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1cnc2ccccc2c1 ZINC001137281385 1377509899 /nfs/dbraw/zinc/50/98/99/1377509899.db2.gz WNGBYNBUBNCZJC-HXUWFJFHSA-N 1 2 348.450 3.270 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1cnc2ccccc2c1 ZINC001137281385 1377509900 /nfs/dbraw/zinc/50/99/00/1377509900.db2.gz WNGBYNBUBNCZJC-HXUWFJFHSA-N 1 2 348.450 3.270 20 30 EGEDLO CC[C@@H](CC(C)C)C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001268895999 1377530985 /nfs/dbraw/zinc/53/09/85/1377530985.db2.gz HIQYAMSPKXNEDL-KRWDZBQOSA-N 1 2 327.472 3.179 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(Cl)nc1F)C2 ZINC001137473979 1377554171 /nfs/dbraw/zinc/55/41/71/1377554171.db2.gz CVPFUJIZMZPSJK-YOEHRIQHSA-N 1 2 340.826 3.200 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(Cl)nc1F)C2 ZINC001137473979 1377554172 /nfs/dbraw/zinc/55/41/72/1377554172.db2.gz CVPFUJIZMZPSJK-YOEHRIQHSA-N 1 2 340.826 3.200 20 30 EGEDLO COc1ccc(C[N@H+](C)Cc2ccc(OC)c(OC)c2)c(C#N)c1 ZINC001137703527 1377599311 /nfs/dbraw/zinc/59/93/11/1377599311.db2.gz NLEHUFYCDGOOMK-UHFFFAOYSA-N 1 2 326.396 3.216 20 30 EGEDLO COc1ccc(C[N@@H+](C)Cc2ccc(OC)c(OC)c2)c(C#N)c1 ZINC001137703527 1377599319 /nfs/dbraw/zinc/59/93/19/1377599319.db2.gz NLEHUFYCDGOOMK-UHFFFAOYSA-N 1 2 326.396 3.216 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)C[C@H](C)SC)CC1 ZINC001270225536 1377600802 /nfs/dbraw/zinc/60/08/02/1377600802.db2.gz KAKUZYWRPCYDAR-LBPRGKRZSA-N 1 2 349.338 3.007 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(F)c(F)cc1F)C2 ZINC001137889974 1377638638 /nfs/dbraw/zinc/63/86/38/1377638638.db2.gz WHVLLVAVYULYTE-KDOFPFPSSA-N 1 2 341.373 3.430 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(F)c(F)cc1F)C2 ZINC001137889974 1377638639 /nfs/dbraw/zinc/63/86/39/1377638639.db2.gz WHVLLVAVYULYTE-KDOFPFPSSA-N 1 2 341.373 3.430 20 30 EGEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2cc3cc(C)ccc3[nH]2)CC1 ZINC001138417592 1377720009 /nfs/dbraw/zinc/72/00/09/1377720009.db2.gz JXXHMSKAWRBLSG-UHFFFAOYSA-N 1 2 325.412 3.145 20 30 EGEDLO C=CCOC(=O)N1CC[NH+](Cc2ccc(OCC(C)C)cc2)CC1 ZINC001138969592 1377810891 /nfs/dbraw/zinc/81/08/91/1377810891.db2.gz CBVXILZAWIWLCL-UHFFFAOYSA-N 1 2 332.444 3.162 20 30 EGEDLO COc1cc(Br)cnc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001139085612 1377827976 /nfs/dbraw/zinc/82/79/76/1377827976.db2.gz HCBBTKCAGHBPSN-UHFFFAOYSA-N 1 2 346.228 3.356 20 30 EGEDLO COc1cc(Br)cnc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001139085612 1377827979 /nfs/dbraw/zinc/82/79/79/1377827979.db2.gz HCBBTKCAGHBPSN-UHFFFAOYSA-N 1 2 346.228 3.356 20 30 EGEDLO C=CCOC(=O)N1CC[NH+](Cc2ccc3ccn(CC)c3c2)CC1 ZINC001139120269 1377833365 /nfs/dbraw/zinc/83/33/65/1377833365.db2.gz OPWRRWXKDCSNFD-UHFFFAOYSA-N 1 2 327.428 3.101 20 30 EGEDLO Cc1cncnc1O[C@H]1CCC[N@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139693278 1377936185 /nfs/dbraw/zinc/93/61/85/1377936185.db2.gz XJCIUHSHRNOTNT-HNNXBMFYSA-N 1 2 342.830 3.354 20 30 EGEDLO Cc1cncnc1O[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139693278 1377936189 /nfs/dbraw/zinc/93/61/89/1377936189.db2.gz XJCIUHSHRNOTNT-HNNXBMFYSA-N 1 2 342.830 3.354 20 30 EGEDLO CC(C)(C)OC(=O)NC1(C)C[NH+](Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139706367 1377938215 /nfs/dbraw/zinc/93/82/15/1377938215.db2.gz SULMPJDUDJWHJA-UHFFFAOYSA-N 1 2 340.427 3.139 20 30 EGEDLO Cc1ccc(C[NH+]2CC3(C2)CCCN3C(=O)OC(C)(C)C)cc1C#N ZINC001139724278 1377941643 /nfs/dbraw/zinc/94/16/43/1377941643.db2.gz KXNUOGCEXUXCCH-UHFFFAOYSA-N 1 2 341.455 3.452 20 30 EGEDLO N#Cc1ccccc1OC1C[NH+](Cc2ccccc2-c2cncnc2)C1 ZINC001140022417 1377991654 /nfs/dbraw/zinc/99/16/54/1377991654.db2.gz DDAFPDQGDAEMIH-UHFFFAOYSA-N 1 2 342.402 3.278 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cc(O)ccc1F)CCO2 ZINC001140047747 1377995162 /nfs/dbraw/zinc/99/51/62/1377995162.db2.gz MCDDZXOBAGRAEO-QFBILLFUSA-N 1 2 335.419 3.105 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cc(O)ccc1F)CCO2 ZINC001140047747 1377995163 /nfs/dbraw/zinc/99/51/63/1377995163.db2.gz MCDDZXOBAGRAEO-QFBILLFUSA-N 1 2 335.419 3.105 20 30 EGEDLO N#CCC[N@@H+](Cc1cnc2cnc(Br)cn12)C1CCCC1 ZINC001140240533 1378035659 /nfs/dbraw/zinc/03/56/59/1378035659.db2.gz UZKNHPUPRJTTIQ-UHFFFAOYSA-N 1 2 348.248 3.150 20 30 EGEDLO N#CCC[N@H+](Cc1cnc2cnc(Br)cn12)C1CCCC1 ZINC001140240533 1378035662 /nfs/dbraw/zinc/03/56/62/1378035662.db2.gz UZKNHPUPRJTTIQ-UHFFFAOYSA-N 1 2 348.248 3.150 20 30 EGEDLO Cc1ccc2n[nH]c(C[NH+]3CCN(c4ccc(C#N)cc4F)CC3)c2c1 ZINC001140333598 1378048033 /nfs/dbraw/zinc/04/80/33/1378048033.db2.gz LGQAWMCHDWFNAU-UHFFFAOYSA-N 1 2 349.413 3.204 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCn3nc(-c4ccc(Cl)cc4)cc3C2)cn1 ZINC001140546310 1378083012 /nfs/dbraw/zinc/08/30/12/1378083012.db2.gz CVAKSWAIGXZFQL-UHFFFAOYSA-N 1 2 349.825 3.486 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCn3nc(-c4ccc(Cl)cc4)cc3C2)cn1 ZINC001140546310 1378083014 /nfs/dbraw/zinc/08/30/14/1378083014.db2.gz CVAKSWAIGXZFQL-UHFFFAOYSA-N 1 2 349.825 3.486 20 30 EGEDLO N#CCCCN1CC[C@@]2(CCC[N@H+]2Cc2cc(F)cc(Cl)c2)C1=O ZINC001273176822 1378091724 /nfs/dbraw/zinc/09/17/24/1378091724.db2.gz AFZPOHYEVMTTKR-SFHVURJKSA-N 1 2 349.837 3.350 20 30 EGEDLO N#CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(F)cc(Cl)c2)C1=O ZINC001273176822 1378091727 /nfs/dbraw/zinc/09/17/27/1378091727.db2.gz AFZPOHYEVMTTKR-SFHVURJKSA-N 1 2 349.837 3.350 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3cc(C#N)ccc3Cl)C[C@H]21 ZINC001140604002 1378096377 /nfs/dbraw/zinc/09/63/77/1378096377.db2.gz MRLCCGZJSVVWSC-GOEBONIOSA-N 1 2 347.846 3.263 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3Cl)C[C@H]21 ZINC001140604002 1378096378 /nfs/dbraw/zinc/09/63/78/1378096378.db2.gz MRLCCGZJSVVWSC-GOEBONIOSA-N 1 2 347.846 3.263 20 30 EGEDLO CC(C)CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(C#N)c(Cl)c2)C1=O ZINC001274492492 1378128587 /nfs/dbraw/zinc/12/85/87/1378128587.db2.gz NCQRGCKIQATUAU-LJQANCHMSA-N 1 2 345.874 3.435 20 30 EGEDLO CC(C)CN1CC[C@]2(CCC[N@H+]2Cc2ccc(C#N)c(Cl)c2)C1=O ZINC001274492492 1378128590 /nfs/dbraw/zinc/12/85/90/1378128590.db2.gz NCQRGCKIQATUAU-LJQANCHMSA-N 1 2 345.874 3.435 20 30 EGEDLO CCCCc1[nH]cc(CN2CCN(c3ccc(C#N)cc3F)CC2)[nH+]1 ZINC001141071172 1378229756 /nfs/dbraw/zinc/22/97/56/1378229756.db2.gz FEQFYBHJUYIKKZ-UHFFFAOYSA-N 1 2 341.434 3.085 20 30 EGEDLO CCCCc1[nH]c(CN2CCN(c3ccc(C#N)cc3F)CC2)c[nH+]1 ZINC001141071172 1378229763 /nfs/dbraw/zinc/22/97/63/1378229763.db2.gz FEQFYBHJUYIKKZ-UHFFFAOYSA-N 1 2 341.434 3.085 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@]12CC[N@H+](Cc1ccc(F)cc1C#N)C2 ZINC001141163391 1378256631 /nfs/dbraw/zinc/25/66/31/1378256631.db2.gz CZWMGSIKAWXXMD-IBGZPJMESA-N 1 2 345.418 3.283 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@]12CC[N@@H+](Cc1ccc(F)cc1C#N)C2 ZINC001141163391 1378256645 /nfs/dbraw/zinc/25/66/45/1378256645.db2.gz CZWMGSIKAWXXMD-IBGZPJMESA-N 1 2 345.418 3.283 20 30 EGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H]2O[C@@H](COCC3CC3)CC[C@H]21 ZINC001141166051 1378257798 /nfs/dbraw/zinc/25/77/98/1378257798.db2.gz UCMOMMGPSGJGET-VAMGGRTRSA-N 1 2 344.430 3.246 20 30 EGEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H]2O[C@@H](COCC3CC3)CC[C@H]21 ZINC001141166051 1378257815 /nfs/dbraw/zinc/25/78/15/1378257815.db2.gz UCMOMMGPSGJGET-VAMGGRTRSA-N 1 2 344.430 3.246 20 30 EGEDLO CC(=O)N1CC[NH+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC001141289994 1378292146 /nfs/dbraw/zinc/29/21/46/1378292146.db2.gz WVULGQRYAXPUKU-UHFFFAOYSA-N 1 2 335.407 3.015 20 30 EGEDLO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1[nH]cc[nH+]1 ZINC001141542396 1378342477 /nfs/dbraw/zinc/34/24/77/1378342477.db2.gz IDQUSYKUOSDBTN-UHFFFAOYSA-N 1 2 347.378 3.348 20 30 EGEDLO N#Cc1cccc(COc2cccc(NC(=O)Cc3c[nH]c[nH+]3)c2)c1 ZINC001141690920 1378362304 /nfs/dbraw/zinc/36/23/04/1378362304.db2.gz YDUKFQRDIKTWJY-UHFFFAOYSA-N 1 2 332.363 3.042 20 30 EGEDLO CC1(C)C[N@H+](Cc2cc(Br)ccc2C#N)[C@](C)(CO)C1 ZINC001141897557 1378391242 /nfs/dbraw/zinc/39/12/42/1378391242.db2.gz WOYOFXKPGRXALL-INIZCTEOSA-N 1 2 337.261 3.304 20 30 EGEDLO CC1(C)C[N@@H+](Cc2cc(Br)ccc2C#N)[C@](C)(CO)C1 ZINC001141897557 1378391248 /nfs/dbraw/zinc/39/12/48/1378391248.db2.gz WOYOFXKPGRXALL-INIZCTEOSA-N 1 2 337.261 3.304 20 30 EGEDLO Cc1noc([C@H]2CC[N@H+](Cc3cc(Br)ccc3C#N)C2)n1 ZINC001141905022 1378392501 /nfs/dbraw/zinc/39/25/01/1378392501.db2.gz MSFABADQRDPPEN-LBPRGKRZSA-N 1 2 347.216 3.002 20 30 EGEDLO Cc1noc([C@H]2CC[N@@H+](Cc3cc(Br)ccc3C#N)C2)n1 ZINC001141905022 1378392504 /nfs/dbraw/zinc/39/25/04/1378392504.db2.gz MSFABADQRDPPEN-LBPRGKRZSA-N 1 2 347.216 3.002 20 30 EGEDLO Cn1ncc2c1C[N@H+](Cc1ccc(C#Cc3ccccc3)s1)CC2 ZINC001141977774 1378400361 /nfs/dbraw/zinc/40/03/61/1378400361.db2.gz PCVKUWREFCIRTJ-UHFFFAOYSA-N 1 2 333.460 3.440 20 30 EGEDLO Cn1ncc2c1C[N@@H+](Cc1ccc(C#Cc3ccccc3)s1)CC2 ZINC001141977774 1378400362 /nfs/dbraw/zinc/40/03/62/1378400362.db2.gz PCVKUWREFCIRTJ-UHFFFAOYSA-N 1 2 333.460 3.440 20 30 EGEDLO CC(=O)N1CC[N@@H+](Cc2ccc(C#Cc3ccccc3)s2)C[C@H]1C ZINC001141978098 1378400583 /nfs/dbraw/zinc/40/05/83/1378400583.db2.gz ZSJNDZPRUPRDRW-MRXNPFEDSA-N 1 2 338.476 3.201 20 30 EGEDLO CC(=O)N1CC[N@H+](Cc2ccc(C#Cc3ccccc3)s2)C[C@H]1C ZINC001141978098 1378400584 /nfs/dbraw/zinc/40/05/84/1378400584.db2.gz ZSJNDZPRUPRDRW-MRXNPFEDSA-N 1 2 338.476 3.201 20 30 EGEDLO Cn1cc2c(n1)CC[N@@H+](Cc1ccc(C#Cc3ccccc3)s1)C2 ZINC001141978044 1378400706 /nfs/dbraw/zinc/40/07/06/1378400706.db2.gz YCPBTQSLNCFXOB-UHFFFAOYSA-N 1 2 333.460 3.440 20 30 EGEDLO Cn1cc2c(n1)CC[N@H+](Cc1ccc(C#Cc3ccccc3)s1)C2 ZINC001141978044 1378400707 /nfs/dbraw/zinc/40/07/07/1378400707.db2.gz YCPBTQSLNCFXOB-UHFFFAOYSA-N 1 2 333.460 3.440 20 30 EGEDLO C=CCC1(C(=O)N2CC3(C2)CC[N@@H+](Cc2ncc(CC)o2)C3)CCC1 ZINC001148226598 1379136225 /nfs/dbraw/zinc/13/62/25/1379136225.db2.gz KPCDAGDDTSLLSW-UHFFFAOYSA-N 1 2 343.471 3.018 20 30 EGEDLO C=CCC1(C(=O)N2CC3(C2)CC[N@H+](Cc2ncc(CC)o2)C3)CCC1 ZINC001148226598 1379136227 /nfs/dbraw/zinc/13/62/27/1379136227.db2.gz KPCDAGDDTSLLSW-UHFFFAOYSA-N 1 2 343.471 3.018 20 30 EGEDLO C=CCC1(C(=O)N2CC3(C2)CC[N@@H+](Cc2csc(C)n2)C3)CCC1 ZINC001148250468 1379139262 /nfs/dbraw/zinc/13/92/62/1379139262.db2.gz XYRZDTQFJPNWOH-UHFFFAOYSA-N 1 2 345.512 3.232 20 30 EGEDLO C=CCC1(C(=O)N2CC3(C2)CC[N@H+](Cc2csc(C)n2)C3)CCC1 ZINC001148250468 1379139263 /nfs/dbraw/zinc/13/92/63/1379139263.db2.gz XYRZDTQFJPNWOH-UHFFFAOYSA-N 1 2 345.512 3.232 20 30 EGEDLO CCCCCCC[N@@H+]1CCC2(CN(C(=O)c3cc(C4CC4)[nH]n3)C2)C1 ZINC001148320961 1379151496 /nfs/dbraw/zinc/15/14/96/1379151496.db2.gz KYNINPXTMXTACQ-UHFFFAOYSA-N 1 2 344.503 3.405 20 30 EGEDLO CCCCCCC[N@H+]1CCC2(CN(C(=O)c3cc(C4CC4)[nH]n3)C2)C1 ZINC001148320961 1379151499 /nfs/dbraw/zinc/15/14/99/1379151499.db2.gz KYNINPXTMXTACQ-UHFFFAOYSA-N 1 2 344.503 3.405 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)CCCC(C)C)C2)C1 ZINC001148327280 1379152598 /nfs/dbraw/zinc/15/25/98/1379152598.db2.gz FYNQGYYYPRJWQF-UHFFFAOYSA-N 1 2 343.309 3.256 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)CCCC(C)C)C2)C1 ZINC001148327280 1379152600 /nfs/dbraw/zinc/15/26/00/1379152600.db2.gz FYNQGYYYPRJWQF-UHFFFAOYSA-N 1 2 343.309 3.256 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C(C)(C)C2CCCC2)C1 ZINC001149854446 1379456628 /nfs/dbraw/zinc/45/66/28/1379456628.db2.gz KLTLBZWEMBBOMI-MRXNPFEDSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C(C)(C)C2CCCC2)C1 ZINC001149854446 1379456634 /nfs/dbraw/zinc/45/66/34/1379456634.db2.gz KLTLBZWEMBBOMI-MRXNPFEDSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1C[N@H+](CC=C(Cl)Cl)CCCO1 ZINC001150141245 1379501611 /nfs/dbraw/zinc/50/16/11/1379501611.db2.gz YVSJZBDCQYNHBW-KBPBESRZSA-N 1 2 349.302 3.115 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1C[N@@H+](CC=C(Cl)Cl)CCCO1 ZINC001150141245 1379501618 /nfs/dbraw/zinc/50/16/18/1379501618.db2.gz YVSJZBDCQYNHBW-KBPBESRZSA-N 1 2 349.302 3.115 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C(C)(C)CC(C)C)C1 ZINC001150562930 1379569186 /nfs/dbraw/zinc/56/91/86/1379569186.db2.gz UOUKXIXHPCXBMY-HNNXBMFYSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C(C)(C)CC(C)C)C1 ZINC001150562930 1379569187 /nfs/dbraw/zinc/56/91/87/1379569187.db2.gz UOUKXIXHPCXBMY-HNNXBMFYSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccccc1F ZINC001151605363 1379745544 /nfs/dbraw/zinc/74/55/44/1379745544.db2.gz IESUPLWEFGAVFI-GFCCVEGCSA-N 1 2 343.240 3.175 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1F ZINC001151605363 1379745546 /nfs/dbraw/zinc/74/55/46/1379745546.db2.gz IESUPLWEFGAVFI-GFCCVEGCSA-N 1 2 343.240 3.175 20 30 EGEDLO C#CCC1(C(=O)NCC[NH2+]Cc2ncc(C(C)(C)C)o2)CCCCC1 ZINC001153023260 1380010043 /nfs/dbraw/zinc/01/00/43/1380010043.db2.gz GBUXYCCJPOZTOQ-UHFFFAOYSA-N 1 2 345.487 3.152 20 30 EGEDLO CC[N@H+](Cc1c(F)cccc1Cl)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207959 1380035594 /nfs/dbraw/zinc/03/55/94/1380035594.db2.gz XYBGTRBFTVUXLA-CQSZACIVSA-N 1 2 338.854 3.465 20 30 EGEDLO CC[N@@H+](Cc1c(F)cccc1Cl)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207959 1380035595 /nfs/dbraw/zinc/03/55/95/1380035595.db2.gz XYBGTRBFTVUXLA-CQSZACIVSA-N 1 2 338.854 3.465 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1nc(C)oc1C ZINC001154609478 1380315712 /nfs/dbraw/zinc/31/57/12/1380315712.db2.gz HRQHLGHOVZFXBO-OAHLLOKOSA-N 1 2 333.476 3.202 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc(C)oc1C ZINC001154609478 1380315715 /nfs/dbraw/zinc/31/57/15/1380315715.db2.gz HRQHLGHOVZFXBO-OAHLLOKOSA-N 1 2 333.476 3.202 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H](C)[N@H+](CC)Cc2nc3c(o2)CCCC3)C1 ZINC001155120870 1380413089 /nfs/dbraw/zinc/41/30/89/1380413089.db2.gz VUNZQYWGSRFIEM-OAHLLOKOSA-N 1 2 345.487 3.236 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2nc3c(o2)CCCC3)C1 ZINC001155120870 1380413090 /nfs/dbraw/zinc/41/30/90/1380413090.db2.gz VUNZQYWGSRFIEM-OAHLLOKOSA-N 1 2 345.487 3.236 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)/C(C)=C/C ZINC001157784570 1381031939 /nfs/dbraw/zinc/03/19/39/1381031939.db2.gz OXHZCRITFSNBJE-IMBBRHANSA-N 1 2 329.282 3.174 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)/C(C)=C/C ZINC001157784570 1381031941 /nfs/dbraw/zinc/03/19/41/1381031941.db2.gz OXHZCRITFSNBJE-IMBBRHANSA-N 1 2 329.282 3.174 20 30 EGEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nc(C)sc1C ZINC001157885203 1381060000 /nfs/dbraw/zinc/06/00/00/1381060000.db2.gz ROKHQAQJKGKAQU-QGZVFWFLSA-N 1 2 347.528 3.376 20 30 EGEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nc(C)sc1C ZINC001157885203 1381060006 /nfs/dbraw/zinc/06/00/06/1381060006.db2.gz ROKHQAQJKGKAQU-QGZVFWFLSA-N 1 2 347.528 3.376 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nccn1CC ZINC001157999216 1381098125 /nfs/dbraw/zinc/09/81/25/1381098125.db2.gz DKYNIWNKKNQQGA-QGZVFWFLSA-N 1 2 346.519 3.318 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nccn1CC ZINC001157999216 1381098133 /nfs/dbraw/zinc/09/81/33/1381098133.db2.gz DKYNIWNKKNQQGA-QGZVFWFLSA-N 1 2 346.519 3.318 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCCN(c2cc(C)c3ccccc3[nH+]2)C1 ZINC001158911129 1381459871 /nfs/dbraw/zinc/45/98/71/1381459871.db2.gz JUAYJLYCDLSEBV-OAHLLOKOSA-N 1 2 325.412 3.424 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)C2CCCC2)CC1 ZINC001159027285 1381520530 /nfs/dbraw/zinc/52/05/30/1381520530.db2.gz BBXBDZBOTUHYLI-UHFFFAOYSA-N 1 2 341.293 3.224 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)C2CCCC2)CC1 ZINC001159027285 1381520533 /nfs/dbraw/zinc/52/05/33/1381520533.db2.gz BBXBDZBOTUHYLI-UHFFFAOYSA-N 1 2 341.293 3.224 20 30 EGEDLO C=C(C)CCC(=O)NCCC1=CC[N@H+]([C@@H](C)c2nc(CC)no2)CC1 ZINC001160264680 1382054655 /nfs/dbraw/zinc/05/46/55/1382054655.db2.gz XMMYNIIOMURDGU-HNNXBMFYSA-N 1 2 346.475 3.188 20 30 EGEDLO C=C(C)CCC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nc(CC)no2)CC1 ZINC001160264680 1382054659 /nfs/dbraw/zinc/05/46/59/1382054659.db2.gz XMMYNIIOMURDGU-HNNXBMFYSA-N 1 2 346.475 3.188 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCC1=CC[N@H+](Cc2ncc(CC)o2)CC1 ZINC001160941398 1382244721 /nfs/dbraw/zinc/24/47/21/1382244721.db2.gz MZYJDAAHNCOEFU-HZPDHXFCSA-N 1 2 345.487 3.334 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCC1=CC[N@@H+](Cc2ncc(CC)o2)CC1 ZINC001160941398 1382244725 /nfs/dbraw/zinc/24/47/25/1382244725.db2.gz MZYJDAAHNCOEFU-HZPDHXFCSA-N 1 2 345.487 3.334 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCC1=CC[N@H+](Cc2cc(C)on2)CC1 ZINC001160942124 1382246227 /nfs/dbraw/zinc/24/62/27/1382246227.db2.gz WHHMPDFQJHOXOW-GDBMZVCRSA-N 1 2 331.460 3.080 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCC1=CC[N@@H+](Cc2cc(C)on2)CC1 ZINC001160942124 1382246229 /nfs/dbraw/zinc/24/62/29/1382246229.db2.gz WHHMPDFQJHOXOW-GDBMZVCRSA-N 1 2 331.460 3.080 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@H+](Cc2nccs2)CC1 ZINC001160990485 1382263458 /nfs/dbraw/zinc/26/34/58/1382263458.db2.gz BGTKUSBTPCHKLA-OAHLLOKOSA-N 1 2 333.501 3.384 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@@H+](Cc2nccs2)CC1 ZINC001160990485 1382263465 /nfs/dbraw/zinc/26/34/65/1382263465.db2.gz BGTKUSBTPCHKLA-OAHLLOKOSA-N 1 2 333.501 3.384 20 30 EGEDLO C[C@H](NC(=O)c1ccccc1OCC#N)c1ccc(-n2cc[nH+]c2)cc1 ZINC001161013100 1382271913 /nfs/dbraw/zinc/27/19/13/1382271913.db2.gz LEGBKFFBCRHMPR-HNNXBMFYSA-N 1 2 346.390 3.266 20 30 EGEDLO COC(=O)c1cc(C#N)ccc1NC(=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC001163680306 1383104766 /nfs/dbraw/zinc/10/47/66/1383104766.db2.gz NKZRRLGDPOTQOW-UHFFFAOYSA-N 1 2 347.296 3.401 20 30 EGEDLO COc1ccc(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)nc1CC#N ZINC001163680844 1383104866 /nfs/dbraw/zinc/10/48/66/1383104866.db2.gz XUVLPSQYRWOWAW-UHFFFAOYSA-N 1 2 334.301 3.212 20 30 EGEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCc2ccccc2N)[nH+]1 ZINC001163885744 1383132991 /nfs/dbraw/zinc/13/29/91/1383132991.db2.gz KLAFKHIGLBIYAI-QTUJNPFGSA-N 1 2 344.484 3.465 20 30 EGEDLO CCOC(=O)c1c(C)cc(N2CCc3cc(C#N)ccc3C2)[nH+]c1C ZINC001164482251 1383191314 /nfs/dbraw/zinc/19/13/14/1383191314.db2.gz WXIJARVSUQGSJH-UHFFFAOYSA-N 1 2 335.407 3.310 20 30 EGEDLO COc1ccc2c(c1)nc(N1CC[NH2+]C[C@H]1C#N)cc2-c1ccccc1 ZINC001164660462 1383215637 /nfs/dbraw/zinc/21/56/37/1383215637.db2.gz DICRWFQLGNXDNN-MRXNPFEDSA-N 1 2 344.418 3.212 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)c1cocc1C ZINC001328752335 1388843662 /nfs/dbraw/zinc/84/36/62/1388843662.db2.gz HQPSGIVTDDZKGZ-CYBMUJFWSA-N 1 2 341.249 3.033 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1cocc1C ZINC001328752335 1388843665 /nfs/dbraw/zinc/84/36/65/1388843665.db2.gz HQPSGIVTDDZKGZ-CYBMUJFWSA-N 1 2 341.249 3.033 20 30 EGEDLO N#Cc1ccc(C(F)(F)N2CCC(n3cc[nH+]c3)CC2)nc1Cl ZINC001165158701 1383239240 /nfs/dbraw/zinc/23/92/40/1383239240.db2.gz FAWQHPKRJOYWDF-UHFFFAOYSA-N 1 2 337.761 3.190 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1(C[NH2+]Cc2noc(C(C)C)n2)CC1 ZINC001166746175 1383470382 /nfs/dbraw/zinc/47/03/82/1383470382.db2.gz CZHQNKWQOXYXCG-HNNXBMFYSA-N 1 2 348.491 3.171 20 30 EGEDLO CCOC(=O)c1cc2c[nH+]c(NC34CCC(C#N)(CC3)CC4)nc2[nH]1 ZINC001169746480 1384181785 /nfs/dbraw/zinc/18/17/85/1384181785.db2.gz ININTWKIFHKDTF-UHFFFAOYSA-N 1 2 339.399 3.115 20 30 EGEDLO COC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1[C@@H](C)Cc1cccc(C#N)c1 ZINC001171223342 1384472475 /nfs/dbraw/zinc/47/24/75/1384472475.db2.gz MZDCYCPDGKHGSO-YWZLYKJASA-N 1 2 334.419 3.089 20 30 EGEDLO COC(=O)[C@@H]1Cc2ccccc2C[N@H+]1[C@@H](C)Cc1cccc(C#N)c1 ZINC001171223342 1384472476 /nfs/dbraw/zinc/47/24/76/1384472476.db2.gz MZDCYCPDGKHGSO-YWZLYKJASA-N 1 2 334.419 3.089 20 30 EGEDLO C[C@@H](Cc1cccc(C#N)c1)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001171230686 1384474641 /nfs/dbraw/zinc/47/46/41/1384474641.db2.gz GBXRJEWEFMADHP-YJBOKZPZSA-N 1 2 333.426 3.295 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)CCc1ccccc1 ZINC001316608753 1384477983 /nfs/dbraw/zinc/47/79/83/1384477983.db2.gz YWFHKIBLTOUTGA-OAQYLSRUSA-N 1 2 347.462 3.224 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)CCc1ccccc1 ZINC001316608753 1384477986 /nfs/dbraw/zinc/47/79/86/1384477986.db2.gz YWFHKIBLTOUTGA-OAQYLSRUSA-N 1 2 347.462 3.224 20 30 EGEDLO NC(=O)c1ccc(C(=[NH2+])Nc2cncc(Oc3ccccc3)c2)cc1 ZINC001171258899 1384480385 /nfs/dbraw/zinc/48/03/85/1384480385.db2.gz OVVLAALXEKULCZ-UHFFFAOYSA-N 1 2 332.363 3.010 20 30 EGEDLO COC(=O)[C@@](C)(Cc1ccccc1)[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172295137 1384762529 /nfs/dbraw/zinc/76/25/29/1384762529.db2.gz AYADBKNQAOIRHV-HRAATJIYSA-N 1 2 336.435 3.253 20 30 EGEDLO C=CCOC(=O)[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](CC)CC(C)C ZINC001172402760 1384785209 /nfs/dbraw/zinc/78/52/09/1384785209.db2.gz XHBYIDHLXWXTNC-CABCVRRESA-N 1 2 327.465 3.230 20 30 EGEDLO N#CC1([NH2+]C2CCN(C(=O)c3ccc(F)cc3)CC2)CCCCC1 ZINC001172995278 1384896430 /nfs/dbraw/zinc/89/64/30/1384896430.db2.gz JOXUCIKUMAXZLK-UHFFFAOYSA-N 1 2 329.419 3.246 20 30 EGEDLO Cc1oc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c(C#N)c1C ZINC001174431526 1385107777 /nfs/dbraw/zinc/10/77/77/1385107777.db2.gz BMHULVLXRILIIA-UHFFFAOYSA-N 1 2 341.411 3.223 20 30 EGEDLO N#Cc1ccc(F)c(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC001174431980 1385108048 /nfs/dbraw/zinc/10/80/48/1385108048.db2.gz JUXRFFPUEWLEKO-UHFFFAOYSA-N 1 2 341.386 3.152 20 30 EGEDLO CCC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1c(Cl)cccc1Cl ZINC001317538551 1385272801 /nfs/dbraw/zinc/27/28/01/1385272801.db2.gz MMAVCQLNISHRQM-GFCCVEGCSA-N 1 2 342.270 3.481 20 30 EGEDLO CCC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1c(Cl)cccc1Cl ZINC001317538551 1385272807 /nfs/dbraw/zinc/27/28/07/1385272807.db2.gz MMAVCQLNISHRQM-GFCCVEGCSA-N 1 2 342.270 3.481 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)C[C@H]1OCCc2ccccc21)C1CC1 ZINC001317558462 1385331689 /nfs/dbraw/zinc/33/16/89/1385331689.db2.gz JAYMNIAIBKQLLV-GOSISDBHSA-N 1 2 348.874 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)C[C@H]1OCCc2ccccc21)C1CC1 ZINC001317558462 1385331693 /nfs/dbraw/zinc/33/16/93/1385331693.db2.gz JAYMNIAIBKQLLV-GOSISDBHSA-N 1 2 348.874 3.024 20 30 EGEDLO C=CCn1cnn(C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)c1=S ZINC001317732593 1385428683 /nfs/dbraw/zinc/42/86/83/1385428683.db2.gz WRFLHZHJOFSRRM-INIZCTEOSA-N 1 2 330.457 3.403 20 30 EGEDLO C=CCn1cnn(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)c1=S ZINC001317732593 1385428684 /nfs/dbraw/zinc/42/86/84/1385428684.db2.gz WRFLHZHJOFSRRM-INIZCTEOSA-N 1 2 330.457 3.403 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cccc(N(C)C)c2)C1 ZINC001317770310 1385461316 /nfs/dbraw/zinc/46/13/16/1385461316.db2.gz QGGODPGRUFGTSR-GOSISDBHSA-N 1 2 349.906 3.432 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cccc(N(C)C)c2)C1 ZINC001317770310 1385461317 /nfs/dbraw/zinc/46/13/17/1385461317.db2.gz QGGODPGRUFGTSR-GOSISDBHSA-N 1 2 349.906 3.432 20 30 EGEDLO CCC(C)(CC)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001318300950 1385645269 /nfs/dbraw/zinc/64/52/69/1385645269.db2.gz ICRORJCLVCLSES-INIZCTEOSA-N 1 2 331.435 3.214 20 30 EGEDLO CCC(C)(CC)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001318300950 1385645270 /nfs/dbraw/zinc/64/52/70/1385645270.db2.gz ICRORJCLVCLSES-INIZCTEOSA-N 1 2 331.435 3.214 20 30 EGEDLO N#CCc1cc(NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)ccc1F ZINC001176967713 1385756955 /nfs/dbraw/zinc/75/69/55/1385756955.db2.gz UWQJKODSLRKWBV-HNNXBMFYSA-N 1 2 338.386 3.142 20 30 EGEDLO N#Cc1c[nH]c2cc(NC(=O)[C@@H]3CCCN(c4cccc[nH+]4)C3)ccc12 ZINC001176967782 1385757151 /nfs/dbraw/zinc/75/71/51/1385757151.db2.gz WMEZMOVKYZBORX-CQSZACIVSA-N 1 2 345.406 3.290 20 30 EGEDLO CN(CC(=O)Nc1ccccc1-c1ccc(C#N)cn1)c1cccc[nH+]1 ZINC001177413554 1385948043 /nfs/dbraw/zinc/94/80/43/1385948043.db2.gz TVTGKBAYBXIISQ-UHFFFAOYSA-N 1 2 343.390 3.090 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2cccc(C#N)n2)CC1 ZINC001179877762 1386615814 /nfs/dbraw/zinc/61/58/14/1386615814.db2.gz JEITYIUGHSTAGP-OAHLLOKOSA-N 1 2 340.858 3.485 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)[C@@H]1C ZINC001179993896 1386662122 /nfs/dbraw/zinc/66/21/22/1386662122.db2.gz BLRQQUIUYCYNHW-HOCLYGCPSA-N 1 2 336.480 3.208 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)c1cccc(F)c1 ZINC001322243013 1387116713 /nfs/dbraw/zinc/11/67/13/1387116713.db2.gz BAHJIXSVWFVQCP-CYBMUJFWSA-N 1 2 326.843 3.292 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)c1cccc(F)c1 ZINC001322243013 1387116717 /nfs/dbraw/zinc/11/67/17/1387116717.db2.gz BAHJIXSVWFVQCP-CYBMUJFWSA-N 1 2 326.843 3.292 20 30 EGEDLO N#Cc1ccc(OC2C[NH+](Cc3ccc(-n4cccn4)cc3)C2)cc1 ZINC001182215068 1387121756 /nfs/dbraw/zinc/12/17/56/1387121756.db2.gz DMSAYUWGSZUYKY-UHFFFAOYSA-N 1 2 330.391 3.007 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nc(CCCC)no2)C1 ZINC001182918378 1387246983 /nfs/dbraw/zinc/24/69/83/1387246983.db2.gz GTOLHASZYXMGNV-LSDHHAIUSA-N 1 2 334.464 3.020 20 30 EGEDLO C=CC[C@@H]1N(c2nnc(Cc3[nH+]ccn3C)n2CC)CCCC1(C)C ZINC001339392856 1390016626 /nfs/dbraw/zinc/01/66/26/1390016626.db2.gz YORFOBVDCBWNAC-HNNXBMFYSA-N 1 2 342.491 3.193 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCS[C@H](C(C)C)C1 ZINC001340264689 1390260790 /nfs/dbraw/zinc/26/07/90/1390260790.db2.gz SWYXVJDPNDLNCH-HOTGVXAUSA-N 1 2 349.548 3.199 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCS[C@H](C(C)C)C1 ZINC001340264689 1390260794 /nfs/dbraw/zinc/26/07/94/1390260794.db2.gz SWYXVJDPNDLNCH-HOTGVXAUSA-N 1 2 349.548 3.199 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001340264690 1390260885 /nfs/dbraw/zinc/26/08/85/1390260885.db2.gz SWYXVJDPNDLNCH-HZPDHXFCSA-N 1 2 349.548 3.199 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001340264690 1390260886 /nfs/dbraw/zinc/26/08/86/1390260886.db2.gz SWYXVJDPNDLNCH-HZPDHXFCSA-N 1 2 349.548 3.199 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCc2ccccc2C1 ZINC001342070876 1390567576 /nfs/dbraw/zinc/56/75/76/1390567576.db2.gz JDLYFQOAVXEKNT-GOSISDBHSA-N 1 2 337.471 3.184 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCc2ccccc2C1 ZINC001342070876 1390567578 /nfs/dbraw/zinc/56/75/78/1390567578.db2.gz JDLYFQOAVXEKNT-GOSISDBHSA-N 1 2 337.471 3.184 20 30 EGEDLO CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)[C@H](C)CC#N ZINC001342684251 1390640788 /nfs/dbraw/zinc/64/07/88/1390640788.db2.gz YKJGHEFYMLICQD-CVEARBPZSA-N 1 2 340.475 3.229 20 30 EGEDLO CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)[C@H](C)CC#N ZINC001342684251 1390640789 /nfs/dbraw/zinc/64/07/89/1390640789.db2.gz YKJGHEFYMLICQD-CVEARBPZSA-N 1 2 340.475 3.229 20 30 EGEDLO N#Cc1ccc(COC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)nc1 ZINC001343340588 1390708419 /nfs/dbraw/zinc/70/84/19/1390708419.db2.gz YGVCJMWHTVUSNM-LJQANCHMSA-N 1 2 335.407 3.051 20 30 EGEDLO N#Cc1ccc(COC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)nc1 ZINC001343340588 1390708420 /nfs/dbraw/zinc/70/84/20/1390708420.db2.gz YGVCJMWHTVUSNM-LJQANCHMSA-N 1 2 335.407 3.051 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC[C@H](OC(C)C)C1 ZINC001343458409 1390715598 /nfs/dbraw/zinc/71/55/98/1390715598.db2.gz XBFKYZXUVCNRGB-IRXDYDNUSA-N 1 2 347.507 3.015 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC[C@H](OC(C)C)C1 ZINC001343458409 1390715601 /nfs/dbraw/zinc/71/56/01/1390715601.db2.gz XBFKYZXUVCNRGB-IRXDYDNUSA-N 1 2 347.507 3.015 20 30 EGEDLO C#CCN(CC)c1nnc([C@@H]2CCCC[N@@H+]2C)n1Cc1cccs1 ZINC001343635431 1390727904 /nfs/dbraw/zinc/72/79/04/1390727904.db2.gz KEFMMXKDCCODOJ-INIZCTEOSA-N 1 2 343.500 3.004 20 30 EGEDLO C#CCN(CC)c1nnc([C@@H]2CCCC[N@H+]2C)n1Cc1cccs1 ZINC001343635431 1390727905 /nfs/dbraw/zinc/72/79/05/1390727905.db2.gz KEFMMXKDCCODOJ-INIZCTEOSA-N 1 2 343.500 3.004 20 30 EGEDLO C=CCN(C)c1nnc([C@@H]2CCCC[N@@H+]2C)n1Cc1ccccc1 ZINC001343721414 1390733255 /nfs/dbraw/zinc/73/32/55/1390733255.db2.gz GZADEDPKPRIMMD-KRWDZBQOSA-N 1 2 325.460 3.105 20 30 EGEDLO C=CCN(C)c1nnc([C@@H]2CCCC[N@H+]2C)n1Cc1ccccc1 ZINC001343721414 1390733256 /nfs/dbraw/zinc/73/32/56/1390733256.db2.gz GZADEDPKPRIMMD-KRWDZBQOSA-N 1 2 325.460 3.105 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N(CCC#N)CC1CC1 ZINC001346626755 1390962531 /nfs/dbraw/zinc/96/25/31/1390962531.db2.gz AOJRSCCLSVIABH-QGZVFWFLSA-N 1 2 342.491 3.141 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N(CCC#N)CC1CC1 ZINC001346626755 1390962532 /nfs/dbraw/zinc/96/25/32/1390962532.db2.gz AOJRSCCLSVIABH-QGZVFWFLSA-N 1 2 342.491 3.141 20 30 EGEDLO C=C[C@H](C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1)c1ccccc1 ZINC001347880835 1391140127 /nfs/dbraw/zinc/14/01/27/1391140127.db2.gz URCJVQVYJCIBTR-FQEVSTJZSA-N 1 2 336.435 3.006 20 30 EGEDLO CCn1c[nH+]cc1COC(=O)CCCCOc1cccc(C#N)c1 ZINC001347972830 1391153291 /nfs/dbraw/zinc/15/32/91/1391153291.db2.gz RCYXMJLLOGZRMH-UHFFFAOYSA-N 1 2 327.384 3.067 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@H](C)C(C)C)CC1 ZINC001479893030 1392462489 /nfs/dbraw/zinc/46/24/89/1392462489.db2.gz OBUNJFDXAPQDBL-CYBMUJFWSA-N 1 2 331.298 3.110 20 30 EGEDLO CC[C@@H](C)CC(=O)NCC[N@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001481166429 1393139837 /nfs/dbraw/zinc/13/98/37/1393139837.db2.gz NKOCAMSKQSYGAU-CQSZACIVSA-N 1 2 331.435 3.214 20 30 EGEDLO CC[C@@H](C)CC(=O)NCC[N@@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001481166429 1393139839 /nfs/dbraw/zinc/13/98/39/1393139839.db2.gz NKOCAMSKQSYGAU-CQSZACIVSA-N 1 2 331.435 3.214 20 30 EGEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)C1(CCF)CC1 ZINC001490553225 1394254846 /nfs/dbraw/zinc/25/48/46/1394254846.db2.gz OBDYFYRMRSAZTP-KRWDZBQOSA-N 1 2 348.849 3.022 20 30 EGEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)C1(CCF)CC1 ZINC001490553225 1394254851 /nfs/dbraw/zinc/25/48/51/1394254851.db2.gz OBDYFYRMRSAZTP-KRWDZBQOSA-N 1 2 348.849 3.022 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)Cc2ccccc2F)C1 ZINC001481410951 1394269858 /nfs/dbraw/zinc/26/98/58/1394269858.db2.gz QZOFADVHBRFGKJ-INIZCTEOSA-N 1 2 338.854 3.434 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)Cc2ccccc2F)C1 ZINC001481410951 1394269859 /nfs/dbraw/zinc/26/98/59/1394269859.db2.gz QZOFADVHBRFGKJ-INIZCTEOSA-N 1 2 338.854 3.434 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@@H]1CCCC1(C)C ZINC001698993499 1406788226 /nfs/dbraw/zinc/78/82/26/1406788226.db2.gz JDAIRPLIRPBUQZ-KRWDZBQOSA-N 1 2 345.462 3.414 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@@H]1CCCC1(C)C ZINC001698993499 1406788228 /nfs/dbraw/zinc/78/82/28/1406788228.db2.gz JDAIRPLIRPBUQZ-KRWDZBQOSA-N 1 2 345.462 3.414 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2coc3ccccc23)C1 ZINC001485531260 1396000897 /nfs/dbraw/zinc/00/08/97/1396000897.db2.gz WVAUVNAULHMFEQ-ZDUSSCGKSA-N 1 2 332.831 3.164 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)[C@@H]1CC12CCCC2 ZINC001699001391 1406812641 /nfs/dbraw/zinc/81/26/41/1406812641.db2.gz STEGRISCGBLOHS-SFHVURJKSA-N 1 2 325.456 3.029 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)[C@@H]1CC12CCCC2 ZINC001699001391 1406812647 /nfs/dbraw/zinc/81/26/47/1406812647.db2.gz STEGRISCGBLOHS-SFHVURJKSA-N 1 2 325.456 3.029 20 30 EGEDLO CCCC[C@](C)(F)C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001492309247 1396318570 /nfs/dbraw/zinc/31/85/70/1396318570.db2.gz PGQJKOFWJHCKEM-SFHVURJKSA-N 1 2 337.414 3.164 20 30 EGEDLO CCCC[C@](C)(F)C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001492309247 1396318571 /nfs/dbraw/zinc/31/85/71/1396318571.db2.gz PGQJKOFWJHCKEM-SFHVURJKSA-N 1 2 337.414 3.164 20 30 EGEDLO CC[C@H]1CC[C@H](C(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2F)CC1 ZINC001492824312 1396325358 /nfs/dbraw/zinc/32/53/58/1396325358.db2.gz CQOBKCNYJRDCFZ-JCNLHEQBSA-N 1 2 345.462 3.462 20 30 EGEDLO CC[C@H]1CC[C@H](C(=O)NCC[N@@H+](C)Cc2ccc(C#N)cc2F)CC1 ZINC001492824312 1396325359 /nfs/dbraw/zinc/32/53/59/1396325359.db2.gz CQOBKCNYJRDCFZ-JCNLHEQBSA-N 1 2 345.462 3.462 20 30 EGEDLO CC[C@@H](C)CCC(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001494606779 1396486055 /nfs/dbraw/zinc/48/60/55/1396486055.db2.gz LHHUIJLVMNFVKW-CQSZACIVSA-N 1 2 331.435 3.072 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1[nH]nc2ccccc21 ZINC001689911642 1404204969 /nfs/dbraw/zinc/20/49/69/1404204969.db2.gz JJJKYJJRINCIAA-XJKSGUPXSA-N 1 2 346.862 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)CCCc2ccccn2)C1 ZINC001691867154 1405587862 /nfs/dbraw/zinc/58/78/62/1405587862.db2.gz NRCIYRAYYSCNNA-GOSISDBHSA-N 1 2 349.906 3.470 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)CCCc2ccccn2)C1 ZINC001691867154 1405587863 /nfs/dbraw/zinc/58/78/63/1405587863.db2.gz NRCIYRAYYSCNNA-GOSISDBHSA-N 1 2 349.906 3.470 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCCc2ccccc2Cl)C1 ZINC001692311117 1405930450 /nfs/dbraw/zinc/93/04/50/1405930450.db2.gz WHEJUIMJCDLWOF-UHFFFAOYSA-N 1 2 341.282 3.463 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2ccc(C)c(C)n2)C1 ZINC001732037920 1428261296 /nfs/dbraw/zinc/26/12/96/1428261296.db2.gz BFSAZHQPXUWFDS-INIZCTEOSA-N 1 2 335.879 3.377 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccc(C)c(C)n2)C1 ZINC001732037920 1428261299 /nfs/dbraw/zinc/26/12/99/1428261299.db2.gz BFSAZHQPXUWFDS-INIZCTEOSA-N 1 2 335.879 3.377 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH]c2c1cccc2C ZINC001699466153 1412833219 /nfs/dbraw/zinc/83/32/19/1412833219.db2.gz RTCWKECYKCPHDN-AWEZNQCLSA-N 1 2 333.863 3.208 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH]c2c1cccc2C ZINC001699466153 1412833234 /nfs/dbraw/zinc/83/32/34/1412833234.db2.gz RTCWKECYKCPHDN-AWEZNQCLSA-N 1 2 333.863 3.208 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COCC1CCCC1 ZINC001699683554 1413078597 /nfs/dbraw/zinc/07/85/97/1413078597.db2.gz JDILVJYFVWSFTJ-SJORKVTESA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COCC1CCCC1 ZINC001699683554 1413078603 /nfs/dbraw/zinc/07/86/03/1413078603.db2.gz JDILVJYFVWSFTJ-SJORKVTESA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)CC(C)(C)C ZINC001700350587 1413841830 /nfs/dbraw/zinc/84/18/30/1413841830.db2.gz QYTOWDUQSTYVQK-CYBMUJFWSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)CC(C)(C)C ZINC001700350587 1413841833 /nfs/dbraw/zinc/84/18/33/1413841833.db2.gz QYTOWDUQSTYVQK-CYBMUJFWSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)c1ccccc1OC ZINC001700487292 1414134871 /nfs/dbraw/zinc/13/48/71/1414134871.db2.gz PSIBPPNJXDLKPB-AWEZNQCLSA-N 1 2 338.879 3.162 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)c1ccccc1OC ZINC001700487292 1414134873 /nfs/dbraw/zinc/13/48/73/1414134873.db2.gz PSIBPPNJXDLKPB-AWEZNQCLSA-N 1 2 338.879 3.162 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)C1(c2ccccc2)CC1 ZINC001713259285 1417866393 /nfs/dbraw/zinc/86/63/93/1417866393.db2.gz PFQTXWWZYSDQMT-KRWDZBQOSA-N 1 2 332.875 3.441 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)C1(c2ccccc2)CC1 ZINC001713259285 1417866394 /nfs/dbraw/zinc/86/63/94/1417866394.db2.gz PFQTXWWZYSDQMT-KRWDZBQOSA-N 1 2 332.875 3.441 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(CCC)C(=O)CC2CC2)C1 ZINC001713713842 1418476474 /nfs/dbraw/zinc/47/64/74/1418476474.db2.gz MRXFUHMBINQMMC-AWEZNQCLSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CCC)C(=O)CC2CC2)C1 ZINC001713713842 1418476477 /nfs/dbraw/zinc/47/64/77/1418476477.db2.gz MRXFUHMBINQMMC-AWEZNQCLSA-N 1 2 329.282 3.008 20 30 EGEDLO CC[C@H](C)CCC(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001713921461 1418715295 /nfs/dbraw/zinc/71/52/95/1418715295.db2.gz KNSXIBBBFCVJHF-AWEZNQCLSA-N 1 2 331.435 3.072 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CCc1cccc(Cl)c1 ZINC001714585563 1419327595 /nfs/dbraw/zinc/32/75/95/1419327595.db2.gz CDZGJMXANZATAL-UHFFFAOYSA-N 1 2 329.271 3.463 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CCc1cccc(Cl)c1 ZINC001714585563 1419327597 /nfs/dbraw/zinc/32/75/97/1419327597.db2.gz CDZGJMXANZATAL-UHFFFAOYSA-N 1 2 329.271 3.463 20 30 EGEDLO CCC[C@H](C)C(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001714660631 1419445775 /nfs/dbraw/zinc/44/57/75/1419445775.db2.gz HMMBMXWAERLFAC-AWEZNQCLSA-N 1 2 331.435 3.214 20 30 EGEDLO CCC[C@H](C)C(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001714660631 1419445778 /nfs/dbraw/zinc/44/57/78/1419445778.db2.gz HMMBMXWAERLFAC-AWEZNQCLSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H](C)Cc1ccccc1F)C1CC1 ZINC001714675438 1419467653 /nfs/dbraw/zinc/46/76/53/1419467653.db2.gz XIGNYVJCAITGJU-ZDUSSCGKSA-N 1 2 338.854 3.337 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H](C)Cc1ccccc1F)C1CC1 ZINC001714675438 1419467655 /nfs/dbraw/zinc/46/76/55/1419467655.db2.gz XIGNYVJCAITGJU-ZDUSSCGKSA-N 1 2 338.854 3.337 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)COc1c(C)cc(C)cc1C ZINC001716005065 1420459024 /nfs/dbraw/zinc/45/90/24/1420459024.db2.gz YREJKXAJCCYCRO-UHFFFAOYSA-N 1 2 338.879 3.133 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)COc1c(C)cc(C)cc1C ZINC001716005065 1420459025 /nfs/dbraw/zinc/45/90/25/1420459025.db2.gz YREJKXAJCCYCRO-UHFFFAOYSA-N 1 2 338.879 3.133 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cccc(N2CCCC2)c1 ZINC001716500101 1420726482 /nfs/dbraw/zinc/72/64/82/1420726482.db2.gz VCVCKKHDQMPHDG-OAHLLOKOSA-N 1 2 335.879 3.089 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cccc(N2CCCC2)c1 ZINC001716500101 1420726484 /nfs/dbraw/zinc/72/64/84/1420726484.db2.gz VCVCKKHDQMPHDG-OAHLLOKOSA-N 1 2 335.879 3.089 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C1(c2ccccc2F)CCC1 ZINC001717494957 1421435197 /nfs/dbraw/zinc/43/51/97/1421435197.db2.gz NEDZJNVDYFTNHR-AWEZNQCLSA-N 1 2 338.854 3.436 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C1(c2ccccc2F)CCC1 ZINC001717494957 1421435198 /nfs/dbraw/zinc/43/51/98/1421435198.db2.gz NEDZJNVDYFTNHR-AWEZNQCLSA-N 1 2 338.854 3.436 20 30 EGEDLO CCC(CC)C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001725244488 1425859616 /nfs/dbraw/zinc/85/96/16/1425859616.db2.gz RFLHHKKDXXOZQJ-ZDUSSCGKSA-N 1 2 331.435 3.070 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001731354213 1427293697 /nfs/dbraw/zinc/29/36/97/1427293697.db2.gz WSORTZPYXWPVTH-QGZVFWFLSA-N 1 2 343.471 3.216 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC001731354213 1427293699 /nfs/dbraw/zinc/29/36/99/1427293699.db2.gz WSORTZPYXWPVTH-QGZVFWFLSA-N 1 2 343.471 3.216 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)CC(C)(C)C1CC1 ZINC001731824409 1428027182 /nfs/dbraw/zinc/02/71/82/1428027182.db2.gz SIXNVJDXTTXWFY-CQSZACIVSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)CC(C)(C)C1CC1 ZINC001731824409 1428027187 /nfs/dbraw/zinc/02/71/87/1428027187.db2.gz SIXNVJDXTTXWFY-CQSZACIVSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cnc(C(C)(C)C)s1)C1CC1 ZINC001731883215 1428155351 /nfs/dbraw/zinc/15/53/51/1428155351.db2.gz CQLCRTGJXCTQAC-UHFFFAOYSA-N 1 2 341.908 3.387 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cnc(C(C)(C)C)s1)C1CC1 ZINC001731883215 1428155352 /nfs/dbraw/zinc/15/53/52/1428155352.db2.gz CQLCRTGJXCTQAC-UHFFFAOYSA-N 1 2 341.908 3.387 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001752321485 1440170555 /nfs/dbraw/zinc/17/05/55/1440170555.db2.gz FOVUMMAEVCHANT-QGZVFWFLSA-N 1 2 343.471 3.401 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC001752321485 1440170557 /nfs/dbraw/zinc/17/05/57/1440170557.db2.gz FOVUMMAEVCHANT-QGZVFWFLSA-N 1 2 343.471 3.401 20 30 EGEDLO C=C1CCC(C(=O)NCCC[NH+]2CCN(CC/C=C\CC)CC2)CC1 ZINC001752352380 1440171893 /nfs/dbraw/zinc/17/18/93/1440171893.db2.gz MJRJSTGXMRTGHM-PLNGDYQASA-N 1 2 347.547 3.213 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1nc(C)oc1C ZINC001752822771 1440221716 /nfs/dbraw/zinc/22/17/16/1440221716.db2.gz ODBJZMZMRKCXTE-VQIMIIECSA-N 1 2 333.476 3.364 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CCCC[N@H+]1Cc1nc(C)oc1C ZINC001752822771 1440221717 /nfs/dbraw/zinc/22/17/17/1440221717.db2.gz ODBJZMZMRKCXTE-VQIMIIECSA-N 1 2 333.476 3.364 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](F)Cc1ccccc1 ZINC001752824685 1440222993 /nfs/dbraw/zinc/22/29/93/1440222993.db2.gz CCCZFPJZISPIJQ-IRXDYDNUSA-N 1 2 338.854 3.290 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](F)Cc1ccccc1 ZINC001752824685 1440222994 /nfs/dbraw/zinc/22/29/94/1440222994.db2.gz CCCZFPJZISPIJQ-IRXDYDNUSA-N 1 2 338.854 3.290 20 30 EGEDLO Cc1c(F)cccc1C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001753050742 1440279126 /nfs/dbraw/zinc/27/91/26/1440279126.db2.gz KUSKXEAOXCNWDP-UHFFFAOYSA-N 1 2 343.377 3.007 20 30 EGEDLO Cc1c(F)cccc1C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001753050742 1440279127 /nfs/dbraw/zinc/27/91/27/1440279127.db2.gz KUSKXEAOXCNWDP-UHFFFAOYSA-N 1 2 343.377 3.007 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@@H]1CCC[N@H+]1Cc1nc(C)oc1C ZINC001753102341 1440304611 /nfs/dbraw/zinc/30/46/11/1440304611.db2.gz HWPIWVRQTLNJLB-KRWDZBQOSA-N 1 2 331.460 3.140 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1nc(C)oc1C ZINC001753102341 1440304612 /nfs/dbraw/zinc/30/46/12/1440304612.db2.gz HWPIWVRQTLNJLB-KRWDZBQOSA-N 1 2 331.460 3.140 20 30 EGEDLO C[C@@H]1CCCC[C@@H]1C(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1 ZINC001753158929 1440332481 /nfs/dbraw/zinc/33/24/81/1440332481.db2.gz AVKMYEWJADUARE-UZLBHIALSA-N 1 2 339.483 3.465 20 30 EGEDLO C[C@@H]1CCCC[C@@H]1C(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1 ZINC001753158929 1440332482 /nfs/dbraw/zinc/33/24/82/1440332482.db2.gz AVKMYEWJADUARE-UZLBHIALSA-N 1 2 339.483 3.465 20 30 EGEDLO C=CC1(CC(=O)NCC[N@@H+](Cc2ccnn2C)C2CC2)CCCCC1 ZINC001753160782 1440333618 /nfs/dbraw/zinc/33/36/18/1440333618.db2.gz AEALGFAXSZRVAX-UHFFFAOYSA-N 1 2 344.503 3.027 20 30 EGEDLO C=CC1(CC(=O)NCC[N@H+](Cc2ccnn2C)C2CC2)CCCCC1 ZINC001753160782 1440333619 /nfs/dbraw/zinc/33/36/19/1440333619.db2.gz AEALGFAXSZRVAX-UHFFFAOYSA-N 1 2 344.503 3.027 20 30 EGEDLO CCCN(C(=O)CCCF)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001753318495 1440361229 /nfs/dbraw/zinc/36/12/29/1440361229.db2.gz KAGGYHQJVQRFKX-SFHVURJKSA-N 1 2 349.425 3.260 20 30 EGEDLO CCCN(C(=O)CCCF)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001753318495 1440361230 /nfs/dbraw/zinc/36/12/30/1440361230.db2.gz KAGGYHQJVQRFKX-SFHVURJKSA-N 1 2 349.425 3.260 20 30 EGEDLO C#CCCCCC(=O)NCC1C[NH+]([C@H](C)c2ccc(F)cc2F)C1 ZINC001753400935 1440391106 /nfs/dbraw/zinc/39/11/06/1440391106.db2.gz NRAPDDIBBWYZMX-CQSZACIVSA-N 1 2 334.410 3.267 20 30 EGEDLO C=CCC(CC=C)C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001753404731 1440391736 /nfs/dbraw/zinc/39/17/36/1440391736.db2.gz QHNHBPOWZSYHFR-UHFFFAOYSA-N 1 2 341.430 3.014 20 30 EGEDLO CC(C)(C(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)C1CC1 ZINC001753410927 1440393019 /nfs/dbraw/zinc/39/30/19/1440393019.db2.gz VSILWSSKUQOYCM-UHFFFAOYSA-N 1 2 344.886 3.176 20 30 EGEDLO CC[C@H](CC(C)C)C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001753413981 1440393837 /nfs/dbraw/zinc/39/38/37/1440393837.db2.gz VSDUJURSNDLIGK-QGZVFWFLSA-N 1 2 345.462 3.318 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)/C=C/C(C)(C)C)C1 ZINC001753430859 1440398339 /nfs/dbraw/zinc/39/83/39/1440398339.db2.gz CYAIRQYGWGRSNI-CFNZNRNTSA-N 1 2 329.282 3.030 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)/C=C/C(C)(C)C)C1 ZINC001753430859 1440398340 /nfs/dbraw/zinc/39/83/40/1440398340.db2.gz CYAIRQYGWGRSNI-CFNZNRNTSA-N 1 2 329.282 3.030 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001753442470 1440402155 /nfs/dbraw/zinc/40/21/55/1440402155.db2.gz DCRRNBFCGXYQCE-KRWDZBQOSA-N 1 2 332.492 3.099 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001753442470 1440402156 /nfs/dbraw/zinc/40/21/56/1440402156.db2.gz DCRRNBFCGXYQCE-KRWDZBQOSA-N 1 2 332.492 3.099 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)CN(CC)c2ccccc2)C1 ZINC001753461251 1440410706 /nfs/dbraw/zinc/41/07/06/1440410706.db2.gz HFNAKNFWUGFYSN-SFHVURJKSA-N 1 2 349.906 3.188 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)CN(CC)c2ccccc2)C1 ZINC001753461251 1440410707 /nfs/dbraw/zinc/41/07/07/1440410707.db2.gz HFNAKNFWUGFYSN-SFHVURJKSA-N 1 2 349.906 3.188 20 30 EGEDLO C[C@H](CC(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F)C1CC1 ZINC001753869665 1440516714 /nfs/dbraw/zinc/51/67/14/1440516714.db2.gz AZSRDSFWHHURIH-CQSZACIVSA-N 1 2 331.435 3.024 20 30 EGEDLO C[C@H](CC(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F)C1CC1 ZINC001753869665 1440516715 /nfs/dbraw/zinc/51/67/15/1440516715.db2.gz AZSRDSFWHHURIH-CQSZACIVSA-N 1 2 331.435 3.024 20 30 EGEDLO CCCC1(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)CCC1 ZINC001754491771 1440610652 /nfs/dbraw/zinc/61/06/52/1440610652.db2.gz PAZPMSHQEYZUGB-AWEZNQCLSA-N 1 2 331.485 3.281 20 30 EGEDLO CCCC1(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)CCC1 ZINC001754491771 1440610653 /nfs/dbraw/zinc/61/06/53/1440610653.db2.gz PAZPMSHQEYZUGB-AWEZNQCLSA-N 1 2 331.485 3.281 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1CC[N@@H+]1Cc1cc(C)ccc1F ZINC001754500960 1440614163 /nfs/dbraw/zinc/61/41/63/1440614163.db2.gz LNCRMNHYBZKGJY-PXNSSMCTSA-N 1 2 348.462 3.053 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1CC[N@H+]1Cc1cc(C)ccc1F ZINC001754500960 1440614164 /nfs/dbraw/zinc/61/41/64/1440614164.db2.gz LNCRMNHYBZKGJY-PXNSSMCTSA-N 1 2 348.462 3.053 20 30 EGEDLO N#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC=CCCC2)CC1 ZINC001754548185 1440628648 /nfs/dbraw/zinc/62/86/48/1440628648.db2.gz HOGIUGQSNNLQRI-GOSISDBHSA-N 1 2 329.488 3.349 20 30 EGEDLO N#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC=CCCC2)CC1 ZINC001754548185 1440628649 /nfs/dbraw/zinc/62/86/49/1440628649.db2.gz HOGIUGQSNNLQRI-GOSISDBHSA-N 1 2 329.488 3.349 20 30 EGEDLO C=CCC(C)(C)C(=O)N(C)C1C[NH+](CCCOc2ccccc2)C1 ZINC001754582852 1440639066 /nfs/dbraw/zinc/63/90/66/1440639066.db2.gz FJSRFXVLZYEMTO-UHFFFAOYSA-N 1 2 330.472 3.200 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@H]1C[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001754615251 1440644367 /nfs/dbraw/zinc/64/43/67/1440644367.db2.gz HIDIOQONVBRPOM-GJZGRUSLSA-N 1 2 348.491 3.050 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC1(C)CC[NH+]([C@H](C)c2nc(C)no2)CC1 ZINC001754627890 1440646737 /nfs/dbraw/zinc/64/67/37/1440646737.db2.gz BMYBWKHMPBCTAF-UKRRQHHQSA-N 1 2 334.464 3.012 20 30 EGEDLO C#CCN(C(=O)CCC1(C)CC1)C1CC[NH+](Cc2cscn2)CC1 ZINC001754642659 1440649287 /nfs/dbraw/zinc/64/92/87/1440649287.db2.gz TWOPPLXOVBUPEH-UHFFFAOYSA-N 1 2 345.512 3.150 20 30 EGEDLO C=C(C)CC[NH+]1CCC(C)(CNC(=O)[C@H]2CC23CC(OCC)C3)CC1 ZINC001754720408 1440672921 /nfs/dbraw/zinc/67/29/21/1440672921.db2.gz OKVRWVWIWZNDDV-IDYZSHNDSA-N 1 2 348.531 3.376 20 30 EGEDLO C=CCCC(=O)NCc1ccc([C@H](C)[NH2+]Cc2ncc(C)cn2)cc1 ZINC001754953290 1440715672 /nfs/dbraw/zinc/71/56/72/1440715672.db2.gz INOCUBWMOAKVJK-INIZCTEOSA-N 1 2 338.455 3.218 20 30 EGEDLO C=CCCC(=O)NCc1ccc([C@@H](C)[NH2+][C@H](C)c2nnc(C)o2)cc1 ZINC001754955218 1440716181 /nfs/dbraw/zinc/71/61/81/1440716181.db2.gz XTKXUTCXPVMXFP-ZIAGYGMSSA-N 1 2 342.443 3.372 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCOC2(C[NH+](CC/C=C\CCC)C2)C1 ZINC001755052068 1440743100 /nfs/dbraw/zinc/74/31/00/1440743100.db2.gz OWWSEJJOSFCSFM-HJWRWDBZSA-N 1 2 334.504 3.248 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1COC2(C[NH+](Cc3cc(C)sc3C)C2)C1 ZINC001755063722 1440744582 /nfs/dbraw/zinc/74/45/82/1440744582.db2.gz PIVRETGGJNXUTE-INIZCTEOSA-N 1 2 348.512 3.037 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)CCCC1CCCCC1)CO2 ZINC001755065754 1440745061 /nfs/dbraw/zinc/74/50/61/1440745061.db2.gz RCIXERIXIHJTHY-GOSISDBHSA-N 1 2 334.504 3.273 20 30 EGEDLO C/C=C(\C)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccccc1C#N ZINC001755185994 1440773193 /nfs/dbraw/zinc/77/31/93/1440773193.db2.gz BIHUUKCXKBJQQK-NFXGAXGJSA-N 1 2 345.446 3.396 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)C1(C)CC=CC1 ZINC001755198192 1440777916 /nfs/dbraw/zinc/77/79/16/1440777916.db2.gz VZUADOVDCIXODY-AWEZNQCLSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(C)CC=CC1 ZINC001755198192 1440777917 /nfs/dbraw/zinc/77/79/17/1440777917.db2.gz VZUADOVDCIXODY-AWEZNQCLSA-N 1 2 341.293 3.174 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CCCCC[N@H+]1Cc1nc(CCC)no1 ZINC001755366848 1440834783 /nfs/dbraw/zinc/83/47/83/1440834783.db2.gz YXQVLFGUSQRASJ-OAHLLOKOSA-N 1 2 348.491 3.095 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1nc(CCC)no1 ZINC001755366848 1440834784 /nfs/dbraw/zinc/83/47/84/1440834784.db2.gz YXQVLFGUSQRASJ-OAHLLOKOSA-N 1 2 348.491 3.095 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H](C)C1C[NH+](Cc2cccc(Cl)n2)C1 ZINC001755385062 1440840387 /nfs/dbraw/zinc/84/03/87/1440840387.db2.gz YPBMBBBZYXCFNU-UONOGXRCSA-N 1 2 335.879 3.274 20 30 EGEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCCCCCCCC)C2)C1 ZINC001755403385 1440843255 /nfs/dbraw/zinc/84/32/55/1440843255.db2.gz LSPNBHBDBZERDB-HXUWFJFHSA-N 1 2 334.504 3.064 20 30 EGEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCCCCCCCC)C2)C1 ZINC001755403385 1440843256 /nfs/dbraw/zinc/84/32/56/1440843256.db2.gz LSPNBHBDBZERDB-HXUWFJFHSA-N 1 2 334.504 3.064 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)CC1(C)C ZINC001755409839 1440845871 /nfs/dbraw/zinc/84/58/71/1440845871.db2.gz GFUWVINWILCDNJ-CQSZACIVSA-N 1 2 335.879 3.274 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)CC1(C)C ZINC001755409839 1440845872 /nfs/dbraw/zinc/84/58/72/1440845872.db2.gz GFUWVINWILCDNJ-CQSZACIVSA-N 1 2 335.879 3.274 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1C[N@@H+](Cc2nc(C)oc2C)CC1(C)C ZINC001755410161 1440845920 /nfs/dbraw/zinc/84/59/20/1440845920.db2.gz MFIYEGCFVDMPEV-SFHVURJKSA-N 1 2 345.487 3.202 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1C[N@H+](Cc2nc(C)oc2C)CC1(C)C ZINC001755410161 1440845921 /nfs/dbraw/zinc/84/59/21/1440845921.db2.gz MFIYEGCFVDMPEV-SFHVURJKSA-N 1 2 345.487 3.202 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC[C@@H]2CC(C)(C)CO2)C(C)(C)C1 ZINC001755417115 1440849382 /nfs/dbraw/zinc/84/93/82/1440849382.db2.gz YZQROWWGYNIUDZ-CABCVRRESA-N 1 2 342.911 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC[C@@H]2CC(C)(C)CO2)C(C)(C)C1 ZINC001755417115 1440849383 /nfs/dbraw/zinc/84/93/83/1440849383.db2.gz YZQROWWGYNIUDZ-CABCVRRESA-N 1 2 342.911 3.161 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1cscn1)CC2 ZINC001755700387 1440899759 /nfs/dbraw/zinc/89/97/59/1440899759.db2.gz DTKONZBERJGGSO-CRAIPNDOSA-N 1 2 333.501 3.359 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1cscn1)CC2 ZINC001755700387 1440899760 /nfs/dbraw/zinc/89/97/60/1440899760.db2.gz DTKONZBERJGGSO-CRAIPNDOSA-N 1 2 333.501 3.359 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CCC[N@H+](Cc2cccc(Cl)n2)[C@@H]1C ZINC001755715854 1440905037 /nfs/dbraw/zinc/90/50/37/1440905037.db2.gz FELRDSVLJNGUGR-WBVHZDCISA-N 1 2 347.890 3.398 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(Cl)n2)[C@@H]1C ZINC001755715854 1440905038 /nfs/dbraw/zinc/90/50/38/1440905038.db2.gz FELRDSVLJNGUGR-WBVHZDCISA-N 1 2 347.890 3.398 20 30 EGEDLO C=CCCC(=O)N1C[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)CC[C@@H]1C ZINC001756803673 1441058471 /nfs/dbraw/zinc/05/84/71/1441058471.db2.gz OXSKPVBEMYRCAB-RDJZCZTQSA-N 1 2 343.471 3.082 20 30 EGEDLO COC(=O)CC[N@@H+](Cc1ccccc1C#N)Cc1cccc(F)c1F ZINC000076180521 291022440 /nfs/dbraw/zinc/02/24/40/291022440.db2.gz UBPNOGHQFACCJM-UHFFFAOYSA-N 1 2 344.361 3.402 20 30 EGEDLO COC(=O)CC[N@H+](Cc1ccccc1C#N)Cc1cccc(F)c1F ZINC000076180521 291022441 /nfs/dbraw/zinc/02/24/41/291022441.db2.gz UBPNOGHQFACCJM-UHFFFAOYSA-N 1 2 344.361 3.402 20 30 EGEDLO N#Cc1ccc(OCC[N@@H+]2CCSC[C@H]2c2nccs2)cc1 ZINC000187047909 236104043 /nfs/dbraw/zinc/10/40/43/236104043.db2.gz BBISYXXILHSDGU-HNNXBMFYSA-N 1 2 331.466 3.184 20 30 EGEDLO N#Cc1ccc(OCC[N@H+]2CCSC[C@H]2c2nccs2)cc1 ZINC000187047909 236104044 /nfs/dbraw/zinc/10/40/44/236104044.db2.gz BBISYXXILHSDGU-HNNXBMFYSA-N 1 2 331.466 3.184 20 30 EGEDLO N#Cc1ccccc1OCC[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000187027094 236098428 /nfs/dbraw/zinc/09/84/28/236098428.db2.gz HCIQIPSGARFSCY-CQSZACIVSA-N 1 2 331.466 3.184 20 30 EGEDLO N#Cc1ccccc1OCC[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000187027094 236098431 /nfs/dbraw/zinc/09/84/31/236098431.db2.gz HCIQIPSGARFSCY-CQSZACIVSA-N 1 2 331.466 3.184 20 30 EGEDLO N#Cc1cc2c(nc1NCc1[nH+]ccn1CCc1ccccc1)CCC2 ZINC000267575938 251163983 /nfs/dbraw/zinc/16/39/83/251163983.db2.gz YBGOBJVSXVKUHB-UHFFFAOYSA-N 1 2 343.434 3.493 20 30 EGEDLO CC[C@H](CC#N)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000097377723 219018978 /nfs/dbraw/zinc/01/89/78/219018978.db2.gz NIKVBZDRMOWLTA-HLLBOEOZSA-N 1 2 344.459 3.110 20 30 EGEDLO CC[C@H](CC#N)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000097377723 219018981 /nfs/dbraw/zinc/01/89/81/219018981.db2.gz NIKVBZDRMOWLTA-HLLBOEOZSA-N 1 2 344.459 3.110 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(n3ccnc3)CC2)c1C ZINC000069659738 258006335 /nfs/dbraw/zinc/00/63/35/258006335.db2.gz TXIUCFOEOWBAPS-UHFFFAOYSA-N 1 2 326.444 3.007 20 30 EGEDLO C[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(C#N)cc1 ZINC000338369341 141109946 /nfs/dbraw/zinc/10/99/46/141109946.db2.gz HFMKLIQVXVKUSI-GFCCVEGCSA-N 1 2 349.350 3.367 20 30 EGEDLO CCOc1cccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)c1 ZINC000356272297 141333022 /nfs/dbraw/zinc/33/30/22/141333022.db2.gz CUUQMZNHILJBSP-UHFFFAOYSA-N 1 2 342.468 3.044 20 30 EGEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186924830 144146731 /nfs/dbraw/zinc/14/67/31/144146731.db2.gz LSLJXLQLQDJNLF-UHFFFAOYSA-N 1 2 342.389 3.406 20 30 EGEDLO COC(=O)c1ccc([C@H](C)[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)o1 ZINC000341120846 155170937 /nfs/dbraw/zinc/17/09/37/155170937.db2.gz IQZWMNWRNAMOQP-SCLBCKFNSA-N 1 2 340.379 3.072 20 30 EGEDLO COC(=O)c1ccc([C@H](C)[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)o1 ZINC000341120846 155170945 /nfs/dbraw/zinc/17/09/45/155170945.db2.gz IQZWMNWRNAMOQP-SCLBCKFNSA-N 1 2 340.379 3.072 20 30 EGEDLO N#Cc1ccc(CCC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000337351449 154301127 /nfs/dbraw/zinc/30/11/27/154301127.db2.gz WAMAUGWFLVCJRS-UHFFFAOYSA-N 1 2 348.450 3.193 20 30 EGEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000337436125 154351033 /nfs/dbraw/zinc/35/10/33/154351033.db2.gz HPBCEZNDDLZBRW-OAHLLOKOSA-N 1 2 339.414 3.349 20 30 EGEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000337436125 154351038 /nfs/dbraw/zinc/35/10/38/154351038.db2.gz HPBCEZNDDLZBRW-OAHLLOKOSA-N 1 2 339.414 3.349 20 30 EGEDLO Cc1cc(F)cc2c1C[N@H+]([C@H](C)C(=O)Nc1cccc(C#N)c1)CC2 ZINC000337437788 154353213 /nfs/dbraw/zinc/35/32/13/154353213.db2.gz DPBKDRIJAGJCKE-CQSZACIVSA-N 1 2 337.398 3.391 20 30 EGEDLO Cc1cc(F)cc2c1C[N@@H+]([C@H](C)C(=O)Nc1cccc(C#N)c1)CC2 ZINC000337437788 154353217 /nfs/dbraw/zinc/35/32/17/154353217.db2.gz DPBKDRIJAGJCKE-CQSZACIVSA-N 1 2 337.398 3.391 20 30 EGEDLO CC(C)(C)C(=O)N1CC[N@H+](Cc2ccc(C#N)cc2F)C(C)(C)C1 ZINC000343399892 155790329 /nfs/dbraw/zinc/79/03/29/155790329.db2.gz HPBXFNZIFHSFDV-UHFFFAOYSA-N 1 2 331.435 3.166 20 30 EGEDLO CC(C)(C)C(=O)N1CC[N@@H+](Cc2ccc(C#N)cc2F)C(C)(C)C1 ZINC000343399892 155790332 /nfs/dbraw/zinc/79/03/32/155790332.db2.gz HPBXFNZIFHSFDV-UHFFFAOYSA-N 1 2 331.435 3.166 20 30 EGEDLO N#Cc1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2ccco2)CC1 ZINC000343846895 164049852 /nfs/dbraw/zinc/04/98/52/164049852.db2.gz DPSQHXGVZQHWHY-UHFFFAOYSA-N 1 2 335.329 3.492 20 30 EGEDLO Cn1c[nH+]cc1CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000350185631 165017651 /nfs/dbraw/zinc/01/76/51/165017651.db2.gz LEKFXQMGZZMDGZ-UHFFFAOYSA-N 1 2 347.378 3.406 20 30 EGEDLO C[C@H](CC(C)(C)C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000355370938 166177760 /nfs/dbraw/zinc/17/77/60/166177760.db2.gz NYGDMMFUIXGGCG-MRXNPFEDSA-N 1 2 327.472 3.275 20 30 EGEDLO CO[C@H](C)c1noc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC000355551945 166241276 /nfs/dbraw/zinc/24/12/76/166241276.db2.gz JQFBAPRAEUNKFU-CQSZACIVSA-N 1 2 328.416 3.307 20 30 EGEDLO CO[C@H](C)c1noc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC000355551945 166241279 /nfs/dbraw/zinc/24/12/79/166241279.db2.gz JQFBAPRAEUNKFU-CQSZACIVSA-N 1 2 328.416 3.307 20 30 EGEDLO CC(C)(C)c1ncc(C[NH+]2CCN(c3ncccc3C#N)CC2)s1 ZINC000122953450 222188922 /nfs/dbraw/zinc/18/89/22/222188922.db2.gz KUCDQQZBXDGGKO-UHFFFAOYSA-N 1 2 341.484 3.029 20 30 EGEDLO Cc1cc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000496230585 269915089 /nfs/dbraw/zinc/91/50/89/269915089.db2.gz VYNCIKLJTNNJJS-KGLIPLIRSA-N 1 2 330.432 3.001 20 30 EGEDLO Cc1cc(N2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000496875135 269915430 /nfs/dbraw/zinc/91/54/30/269915430.db2.gz MBQZPJWZQBSADA-ZBFHGGJFSA-N 1 2 342.443 3.097 20 30 EGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000488979787 270056464 /nfs/dbraw/zinc/05/64/64/270056464.db2.gz KSACKGIBLQBZDY-MRXNPFEDSA-N 1 2 329.350 3.275 20 30 EGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000488979787 270056465 /nfs/dbraw/zinc/05/64/65/270056465.db2.gz KSACKGIBLQBZDY-MRXNPFEDSA-N 1 2 329.350 3.275 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(C#N)cc2OC(F)F)n1 ZINC000491407293 270058058 /nfs/dbraw/zinc/05/80/58/270058058.db2.gz QSLGAVVSOLDELW-UHFFFAOYSA-N 1 2 344.365 3.011 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(C#N)cc2OC(F)F)n1 ZINC000491407293 270058059 /nfs/dbraw/zinc/05/80/59/270058059.db2.gz QSLGAVVSOLDELW-UHFFFAOYSA-N 1 2 344.365 3.011 20 30 EGEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(c3ccccc3F)CC2)cc1 ZINC000533438573 270060697 /nfs/dbraw/zinc/06/06/97/270060697.db2.gz KPEJUFUCHKZFMO-IBGZPJMESA-N 1 2 337.398 3.103 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(CCCCC(F)(F)F)CC2)cc1 ZINC000269909342 266380173 /nfs/dbraw/zinc/38/01/73/266380173.db2.gz VGUDWCZTOAMEFC-UHFFFAOYSA-N 1 2 325.378 3.408 20 30 EGEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000298190804 267002314 /nfs/dbraw/zinc/00/23/14/267002314.db2.gz CCHWRAWGMOJPIU-AWEZNQCLSA-N 1 2 328.437 3.155 20 30 EGEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000298190804 267002319 /nfs/dbraw/zinc/00/23/19/267002319.db2.gz CCHWRAWGMOJPIU-AWEZNQCLSA-N 1 2 328.437 3.155 20 30 EGEDLO COCC[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccco1 ZINC000273285016 267013880 /nfs/dbraw/zinc/01/38/80/267013880.db2.gz ORHGJIJAAAECQD-HNNXBMFYSA-N 1 2 338.367 3.069 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(C)(C#N)CC1 ZINC000330779434 267135680 /nfs/dbraw/zinc/13/56/80/267135680.db2.gz MKFMHGHENPKLLR-GFCCVEGCSA-N 1 2 330.819 3.164 20 30 EGEDLO CCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000454589156 267168005 /nfs/dbraw/zinc/16/80/05/267168005.db2.gz WPDDXCGTAVVBTN-LBPRGKRZSA-N 1 2 327.388 3.056 20 30 EGEDLO CCOc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)Nc1ccccc1C#N)C2 ZINC000441076305 267171574 /nfs/dbraw/zinc/17/15/74/267171574.db2.gz DABQIJSMYOGXRX-HNNXBMFYSA-N 1 2 349.434 3.342 20 30 EGEDLO CCOc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)Nc1ccccc1C#N)C2 ZINC000441076305 267171578 /nfs/dbraw/zinc/17/15/78/267171578.db2.gz DABQIJSMYOGXRX-HNNXBMFYSA-N 1 2 349.434 3.342 20 30 EGEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)[C@@H](CC)CN1C(C)=O ZINC000439440548 267203447 /nfs/dbraw/zinc/20/34/47/267203447.db2.gz INPJKKUZKKBMLG-DLBZAZTESA-N 1 2 333.863 3.433 20 30 EGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)[C@@H](CC)CN1C(C)=O ZINC000439440548 267203450 /nfs/dbraw/zinc/20/34/50/267203450.db2.gz INPJKKUZKKBMLG-DLBZAZTESA-N 1 2 333.863 3.433 20 30 EGEDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ncc(C#N)cc2F)CC1 ZINC000413124804 267857098 /nfs/dbraw/zinc/85/70/98/267857098.db2.gz PLTNQOCSVUPEQB-GFCCVEGCSA-N 1 2 346.356 3.254 20 30 EGEDLO N#Cc1cc2c(nc1NCc1ccc(N3CCCC3)[nH+]c1)CCCC2 ZINC000270977162 268025446 /nfs/dbraw/zinc/02/54/46/268025446.db2.gz RGPYTRIVCUFKKL-UHFFFAOYSA-N 1 2 333.439 3.439 20 30 EGEDLO Cc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c(Cl)c1 ZINC000447294699 268037224 /nfs/dbraw/zinc/03/72/24/268037224.db2.gz HLZIZNQTHRODLN-AWEZNQCLSA-N 1 2 341.846 3.021 20 30 EGEDLO Cc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c(Cl)c1 ZINC000447294699 268037226 /nfs/dbraw/zinc/03/72/26/268037226.db2.gz HLZIZNQTHRODLN-AWEZNQCLSA-N 1 2 341.846 3.021 20 30 EGEDLO Cc1nc(CC[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cs1 ZINC000444787607 268076022 /nfs/dbraw/zinc/07/60/22/268076022.db2.gz XQZMOKINYOLFQJ-UHFFFAOYSA-N 1 2 346.887 3.341 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c(C#N)c1C ZINC000420949191 268104560 /nfs/dbraw/zinc/10/45/60/268104560.db2.gz OMUJANVURPSHOY-GFCCVEGCSA-N 1 2 343.349 3.371 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](CC(F)(F)F)C2)c(C#N)c1C ZINC000420949191 268104562 /nfs/dbraw/zinc/10/45/62/268104562.db2.gz OMUJANVURPSHOY-GFCCVEGCSA-N 1 2 343.349 3.371 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCc3occc3C2)cc1Cl ZINC000288840802 268139521 /nfs/dbraw/zinc/13/95/21/268139521.db2.gz OPBIEPBWKFCUCC-UHFFFAOYSA-N 1 2 329.787 3.192 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCc3occc3C2)cc1Cl ZINC000288840802 268139523 /nfs/dbraw/zinc/13/95/23/268139523.db2.gz OPBIEPBWKFCUCC-UHFFFAOYSA-N 1 2 329.787 3.192 20 30 EGEDLO N#Cc1ccc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)c(F)c1 ZINC000301148256 268156702 /nfs/dbraw/zinc/15/67/02/268156702.db2.gz NAHQFPPEYNPFJK-LJQANCHMSA-N 1 2 325.387 3.183 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@@H+](CCC1CCCCC1)CC(N)=O ZINC000480765819 268181092 /nfs/dbraw/zinc/18/10/92/268181092.db2.gz CZEJHTGWFFOOST-UHFFFAOYSA-N 1 2 333.863 3.469 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@H+](CCC1CCCCC1)CC(N)=O ZINC000480765819 268181094 /nfs/dbraw/zinc/18/10/94/268181094.db2.gz CZEJHTGWFFOOST-UHFFFAOYSA-N 1 2 333.863 3.469 20 30 EGEDLO N#Cc1cc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)ccc1F ZINC000431769672 268187929 /nfs/dbraw/zinc/18/79/29/268187929.db2.gz PQTDJSZXLCHLIY-UHFFFAOYSA-N 1 2 334.354 3.123 20 30 EGEDLO N#Cc1cccc(NCc2cc[nH+]c(N3CCCCC3)c2)c1[N+](=O)[O-] ZINC000450262620 268282490 /nfs/dbraw/zinc/28/24/90/268282490.db2.gz TVMRHOTXPKGQIV-UHFFFAOYSA-N 1 2 337.383 3.464 20 30 EGEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000459467932 268289930 /nfs/dbraw/zinc/28/99/30/268289930.db2.gz ZQRDTIDPRSINJV-UHFFFAOYSA-N 1 2 340.358 3.322 20 30 EGEDLO N#Cc1ccc(/C=C\C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000492495240 311257833 /nfs/dbraw/zinc/25/78/33/311257833.db2.gz VRFZDAWLUNPBBR-FPLPWBNLSA-N 1 2 348.450 3.487 20 30 EGEDLO CC(C)n1cc([C@H](C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)cn1 ZINC000544468985 314698035 /nfs/dbraw/zinc/69/80/35/314698035.db2.gz QNXXYDRSFNKCNY-ZDUSSCGKSA-N 1 2 336.399 3.236 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c2[nH+]ccn21 ZINC000568727352 316814568 /nfs/dbraw/zinc/81/45/68/316814568.db2.gz BYWMHTZVIMPKMV-GUYCJALGSA-N 1 2 335.411 3.135 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[N@@H+](CCC(C)(C)C#N)C[C@@](C)(F)C1 ZINC000496635218 459268093 /nfs/dbraw/zinc/26/80/93/459268093.db2.gz BPTPYJAKTPSDEL-QGZVFWFLSA-N 1 2 327.444 3.207 20 30 EGEDLO COc1ccccc1[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000158045747 455263489 /nfs/dbraw/zinc/26/34/89/455263489.db2.gz NYLXYKUGBZGVHF-CQSZACIVSA-N 1 2 341.436 3.056 20 30 EGEDLO COc1ccccc1[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000158045747 455263494 /nfs/dbraw/zinc/26/34/94/455263494.db2.gz NYLXYKUGBZGVHF-CQSZACIVSA-N 1 2 341.436 3.056 20 30 EGEDLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612162036 460556295 /nfs/dbraw/zinc/55/62/95/460556295.db2.gz JJOLETIEVQGWEU-FZKQIMNGSA-N 1 2 335.398 3.110 20 30 EGEDLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612162036 460556302 /nfs/dbraw/zinc/55/63/02/460556302.db2.gz JJOLETIEVQGWEU-FZKQIMNGSA-N 1 2 335.398 3.110 20 30 EGEDLO C[N@H+](CC#Cc1ccc(F)cc1)CC(=O)Nc1cc(F)cc(F)c1 ZINC000158489326 455307844 /nfs/dbraw/zinc/30/78/44/455307844.db2.gz SGPMXPQNVBLXKA-UHFFFAOYSA-N 1 2 332.325 3.026 20 30 EGEDLO C[N@@H+](CC#Cc1ccc(F)cc1)CC(=O)Nc1cc(F)cc(F)c1 ZINC000158489326 455307848 /nfs/dbraw/zinc/30/78/48/455307848.db2.gz SGPMXPQNVBLXKA-UHFFFAOYSA-N 1 2 332.325 3.026 20 30 EGEDLO CC(C)(C)C1CCC(C#N)(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000183903738 455337562 /nfs/dbraw/zinc/33/75/62/455337562.db2.gz QKLVSPGDKDLZAP-TZGCNFNXSA-N 1 2 328.460 3.060 20 30 EGEDLO C[C@@H](NC(=O)COc1ccc(C#N)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012550952 453371946 /nfs/dbraw/zinc/37/19/46/453371946.db2.gz YRIHVTZTNBKBIN-OAHLLOKOSA-N 1 2 346.390 3.000 20 30 EGEDLO N#Cc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000014136925 453508646 /nfs/dbraw/zinc/50/86/46/453508646.db2.gz SPLHMNVQTDLRPX-UHFFFAOYSA-N 1 2 326.425 3.253 20 30 EGEDLO Cc1cccc(OCCN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000022781289 453699508 /nfs/dbraw/zinc/69/95/08/453699508.db2.gz OJGMFOOXUQQLBE-UHFFFAOYSA-N 1 2 335.451 3.063 20 30 EGEDLO C=CCOc1ccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000024752571 453745654 /nfs/dbraw/zinc/74/56/54/453745654.db2.gz HCAZQDKLBVBKFI-UHFFFAOYSA-N 1 2 347.418 3.426 20 30 EGEDLO C[N@H+](CC(=O)Nc1ccccc1OC(F)F)Cc1cccc(C#N)c1 ZINC000026326061 453796546 /nfs/dbraw/zinc/79/65/46/453796546.db2.gz ZDNGLHIEHXJAQZ-UHFFFAOYSA-N 1 2 345.349 3.230 20 30 EGEDLO C[N@@H+](CC(=O)Nc1ccccc1OC(F)F)Cc1cccc(C#N)c1 ZINC000026326061 453796547 /nfs/dbraw/zinc/79/65/47/453796547.db2.gz ZDNGLHIEHXJAQZ-UHFFFAOYSA-N 1 2 345.349 3.230 20 30 EGEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCc2sccc2C1 ZINC000028176147 453822451 /nfs/dbraw/zinc/82/24/51/453822451.db2.gz LJNGAYFOQOYJKK-XAUUPUKJSA-N 1 2 345.512 3.426 20 30 EGEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCc2sccc2C1 ZINC000028176147 453822452 /nfs/dbraw/zinc/82/24/52/453822452.db2.gz LJNGAYFOQOYJKK-XAUUPUKJSA-N 1 2 345.512 3.426 20 30 EGEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029918122 453832776 /nfs/dbraw/zinc/83/27/76/453832776.db2.gz BMWPSUKCMRYIBV-CQSZACIVSA-N 1 2 332.363 3.150 20 30 EGEDLO O=[N+]([O-])c1ccc(O)c(/C=N/CC2([NH+]3CCSCC3)CCCC2)c1 ZINC000032070219 453863225 /nfs/dbraw/zinc/86/32/25/453863225.db2.gz NMGUWDJADVXLAM-LDADJPATSA-N 1 2 349.456 3.081 20 30 EGEDLO N#C[C@@]1(NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CCSC1 ZINC000075137677 453865175 /nfs/dbraw/zinc/86/51/75/453865175.db2.gz KSJZOUYBFYLKFA-KRWDZBQOSA-N 1 2 325.393 3.003 20 30 EGEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1C ZINC000081512549 453880296 /nfs/dbraw/zinc/88/02/96/453880296.db2.gz WOERVURNIXKJIO-UHFFFAOYSA-N 1 2 342.464 3.163 20 30 EGEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1C ZINC000081512549 453880299 /nfs/dbraw/zinc/88/02/99/453880299.db2.gz WOERVURNIXKJIO-UHFFFAOYSA-N 1 2 342.464 3.163 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C#Cc2ccccc2)C[C@H](C)O1 ZINC000081554047 453885457 /nfs/dbraw/zinc/88/54/57/453885457.db2.gz PYMIQIZVWGNKHM-HDICACEKSA-N 1 2 348.446 3.286 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C#Cc2ccccc2)C[C@H](C)O1 ZINC000081554047 453885461 /nfs/dbraw/zinc/88/54/61/453885461.db2.gz PYMIQIZVWGNKHM-HDICACEKSA-N 1 2 348.446 3.286 20 30 EGEDLO C=C(C)CN(CC)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000054019791 453906012 /nfs/dbraw/zinc/90/60/12/453906012.db2.gz YJHUBFZYBHSTDT-KRWDZBQOSA-N 1 2 342.443 3.126 20 30 EGEDLO C[N@H+](Cc1ccc(F)c(F)c1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000083133812 453939568 /nfs/dbraw/zinc/93/95/68/453939568.db2.gz PPKVSFKLOSOHIG-OAHLLOKOSA-N 1 2 347.390 3.135 20 30 EGEDLO C[N@@H+](Cc1ccc(F)c(F)c1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000083133812 453939569 /nfs/dbraw/zinc/93/95/69/453939569.db2.gz PPKVSFKLOSOHIG-OAHLLOKOSA-N 1 2 347.390 3.135 20 30 EGEDLO C#CCN1C(=O)c2ccccc2N[C@H]1c1ccc(-n2cc[nH+]c2)cc1 ZINC000054702134 453943646 /nfs/dbraw/zinc/94/36/46/453943646.db2.gz ZKZGHISKQNLZQN-LJQANCHMSA-N 1 2 328.375 3.072 20 30 EGEDLO C#Cc1cccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000067562940 453943852 /nfs/dbraw/zinc/94/38/52/453943852.db2.gz UTZMRXFJYBHLQP-UHFFFAOYSA-N 1 2 334.354 3.314 20 30 EGEDLO Cc1cc2[nH+]cn(C[C@@H](O)CSc3cc(C#N)ccn3)c2cc1C ZINC000076493124 454008289 /nfs/dbraw/zinc/00/82/89/454008289.db2.gz IKWRVHKNRRBBJZ-OAHLLOKOSA-N 1 2 338.436 3.073 20 30 EGEDLO N#CC1(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCCCC1 ZINC000057383187 454124193 /nfs/dbraw/zinc/12/41/93/454124193.db2.gz UAGLJZRVLZBSJH-UHFFFAOYSA-N 1 2 345.874 3.458 20 30 EGEDLO CCCCS[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000057422569 454127172 /nfs/dbraw/zinc/12/71/72/454127172.db2.gz UPBGPDKJXULPRR-INIZCTEOSA-N 1 2 345.512 3.124 20 30 EGEDLO COC[C@H]([NH2+]Cc1ccc(C#N)cc1Br)c1ccco1 ZINC000184630962 455417251 /nfs/dbraw/zinc/41/72/51/455417251.db2.gz SVXOCSKXMIHXJU-AWEZNQCLSA-N 1 2 335.201 3.391 20 30 EGEDLO N#CC1CC[NH+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000057878863 454153976 /nfs/dbraw/zinc/15/39/76/454153976.db2.gz JBGFSZFUBRCBAE-UHFFFAOYSA-N 1 2 336.317 3.491 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000070695879 454171705 /nfs/dbraw/zinc/17/17/05/454171705.db2.gz PKZRGUVYRSVTBU-LNLFQRSKSA-N 1 2 330.472 3.262 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000070695879 454171706 /nfs/dbraw/zinc/17/17/06/454171706.db2.gz PKZRGUVYRSVTBU-LNLFQRSKSA-N 1 2 330.472 3.262 20 30 EGEDLO N#Cc1ccc(N2CCC(Nc3cc(C(F)(F)F)cc[nH+]3)CC2)nc1 ZINC000089794191 454200748 /nfs/dbraw/zinc/20/07/48/454200748.db2.gz JEEZFDOVDJNMLN-UHFFFAOYSA-N 1 2 347.344 3.448 20 30 EGEDLO C=CC[N@H+](CC(=O)N[C@H]1CCCC[C@H]1C)Cc1ccc(OC)cc1 ZINC000059423191 454260459 /nfs/dbraw/zinc/26/04/59/454260459.db2.gz QPNNGAATTPAZEW-APWZRJJASA-N 1 2 330.472 3.378 20 30 EGEDLO C=CC[N@@H+](CC(=O)N[C@H]1CCCC[C@H]1C)Cc1ccc(OC)cc1 ZINC000059423191 454260465 /nfs/dbraw/zinc/26/04/65/454260465.db2.gz QPNNGAATTPAZEW-APWZRJJASA-N 1 2 330.472 3.378 20 30 EGEDLO C=CCN(CC=C)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000071928462 454260688 /nfs/dbraw/zinc/26/06/88/454260688.db2.gz JKJYVBPWIIJXMJ-UHFFFAOYSA-N 1 2 328.460 3.346 20 30 EGEDLO C=CCN(Cc1ccccc1F)C(=O)NCCCCn1cc[nH+]c1 ZINC000079769533 454476963 /nfs/dbraw/zinc/47/69/63/454476963.db2.gz GTRPGXFIUZJMNP-UHFFFAOYSA-N 1 2 330.407 3.200 20 30 EGEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000091842948 454480731 /nfs/dbraw/zinc/48/07/31/454480731.db2.gz YOCJKZBAYWGJRK-AWEZNQCLSA-N 1 2 331.847 3.190 20 30 EGEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000091842948 454480735 /nfs/dbraw/zinc/48/07/35/454480735.db2.gz YOCJKZBAYWGJRK-AWEZNQCLSA-N 1 2 331.847 3.190 20 30 EGEDLO C=CC[N@@H+](Cc1cnn(C)c1C(F)(F)F)Cc1cccc(C#N)c1 ZINC000134039445 454495881 /nfs/dbraw/zinc/49/58/81/454495881.db2.gz UOPMKSVJPVHVAK-UHFFFAOYSA-N 1 2 334.345 3.499 20 30 EGEDLO C=CC[N@H+](Cc1cnn(C)c1C(F)(F)F)Cc1cccc(C#N)c1 ZINC000134039445 454495889 /nfs/dbraw/zinc/49/58/89/454495889.db2.gz UOPMKSVJPVHVAK-UHFFFAOYSA-N 1 2 334.345 3.499 20 30 EGEDLO C=CCCS(=O)(=O)N(Cc1ccc(OC)cc1)c1cc[nH+]cc1 ZINC000092254022 454541694 /nfs/dbraw/zinc/54/16/94/454541694.db2.gz KDZFEEDUXQUHLK-UHFFFAOYSA-N 1 2 332.425 3.003 20 30 EGEDLO Cc1ccccc1Cc1nnc(C[N@@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000122609165 454552429 /nfs/dbraw/zinc/55/24/29/454552429.db2.gz OOOORTBBUONILW-UHFFFAOYSA-N 1 2 332.407 3.473 20 30 EGEDLO Cc1ccccc1Cc1nnc(C[N@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000122609165 454552433 /nfs/dbraw/zinc/55/24/33/454552433.db2.gz OOOORTBBUONILW-UHFFFAOYSA-N 1 2 332.407 3.473 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(CC#N)c1)c1ccccc1F ZINC000049617593 454552983 /nfs/dbraw/zinc/55/29/83/454552983.db2.gz GEUIZSFMFAWSTP-GOSISDBHSA-N 1 2 348.381 3.145 20 30 EGEDLO COc1ccc(C#N)cc1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000050089703 454571743 /nfs/dbraw/zinc/57/17/43/454571743.db2.gz FOSCMIWZISRXCB-UHFFFAOYSA-N 1 2 347.378 3.074 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc(C4CC4)s3)CC2)c(F)c1 ZINC000092612887 454594975 /nfs/dbraw/zinc/59/49/75/454594975.db2.gz NNVNMJFBNBXYLO-UHFFFAOYSA-N 1 2 342.443 3.353 20 30 EGEDLO CCOC(=O)C[N@H+](CCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC000065684632 454610720 /nfs/dbraw/zinc/61/07/20/454610720.db2.gz VDEUCCOHLBZJLQ-UHFFFAOYSA-N 1 2 338.407 3.002 20 30 EGEDLO CCOC(=O)C[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC000065684632 454610724 /nfs/dbraw/zinc/61/07/24/454610724.db2.gz VDEUCCOHLBZJLQ-UHFFFAOYSA-N 1 2 338.407 3.002 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1sccc1C#N)c1ccc(F)cc1 ZINC000052029375 454648688 /nfs/dbraw/zinc/64/86/88/454648688.db2.gz GYECRTNDGHOZFF-CQSZACIVSA-N 1 2 340.383 3.012 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000052070690 454651203 /nfs/dbraw/zinc/65/12/03/454651203.db2.gz JQFNFOZCNCRODM-INIZCTEOSA-N 1 2 342.270 3.480 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000052070690 454651206 /nfs/dbraw/zinc/65/12/06/454651206.db2.gz JQFNFOZCNCRODM-INIZCTEOSA-N 1 2 342.270 3.480 20 30 EGEDLO N#CCN1CC[NH+](Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000092936052 454656107 /nfs/dbraw/zinc/65/61/07/454656107.db2.gz JFYFXWKHUOBKBJ-UHFFFAOYSA-N 1 2 338.436 3.197 20 30 EGEDLO CC(C)[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccccn1 ZINC000052218346 454662272 /nfs/dbraw/zinc/66/22/72/454662272.db2.gz GVKDGNXVSQWWMY-UHFFFAOYSA-N 1 2 336.439 3.239 20 30 EGEDLO CC(C)[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccccn1 ZINC000052218346 454662277 /nfs/dbraw/zinc/66/22/77/454662277.db2.gz GVKDGNXVSQWWMY-UHFFFAOYSA-N 1 2 336.439 3.239 20 30 EGEDLO C=C(C)COc1cc(C[N@H+]2CCCC[C@@H]2C(=O)OC)ccc1OC ZINC000093441171 454715209 /nfs/dbraw/zinc/71/52/09/454715209.db2.gz UIRBEEWMSVYAAE-MRXNPFEDSA-N 1 2 333.428 3.178 20 30 EGEDLO C=C(C)COc1cc(C[N@@H+]2CCCC[C@@H]2C(=O)OC)ccc1OC ZINC000093441171 454715216 /nfs/dbraw/zinc/71/52/16/454715216.db2.gz UIRBEEWMSVYAAE-MRXNPFEDSA-N 1 2 333.428 3.178 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H](c3ccco3)C2)cc1OC ZINC000093841561 454739318 /nfs/dbraw/zinc/73/93/18/454739318.db2.gz VJJPWNAOSPOKST-IBGZPJMESA-N 1 2 329.396 3.427 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H](c3ccco3)C2)cc1OC ZINC000093841561 454739322 /nfs/dbraw/zinc/73/93/22/454739322.db2.gz VJJPWNAOSPOKST-IBGZPJMESA-N 1 2 329.396 3.427 20 30 EGEDLO CN(C)c1ncc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000093872354 454743249 /nfs/dbraw/zinc/74/32/49/454743249.db2.gz POXNHRWXWYGVCL-IRXDYDNUSA-N 1 2 326.469 3.481 20 30 EGEDLO CN(C)c1ncc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000093872354 454743255 /nfs/dbraw/zinc/74/32/55/454743255.db2.gz POXNHRWXWYGVCL-IRXDYDNUSA-N 1 2 326.469 3.481 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCSCC1 ZINC000108359519 454794987 /nfs/dbraw/zinc/79/49/87/454794987.db2.gz PCAYETPJJBOHQP-CYBMUJFWSA-N 1 2 335.498 3.068 20 30 EGEDLO C[N@H+](Cc1cn(-c2ccc(Cl)cc2)nn1)Cc1cccc(C#N)c1 ZINC000162759955 454799130 /nfs/dbraw/zinc/79/91/30/454799130.db2.gz DORQGZWKEMWBFF-UHFFFAOYSA-N 1 2 337.814 3.424 20 30 EGEDLO C[N@@H+](Cc1cn(-c2ccc(Cl)cc2)nn1)Cc1cccc(C#N)c1 ZINC000162759955 454799132 /nfs/dbraw/zinc/79/91/32/454799132.db2.gz DORQGZWKEMWBFF-UHFFFAOYSA-N 1 2 337.814 3.424 20 30 EGEDLO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2sccc2C#N)n1 ZINC000140219123 454818171 /nfs/dbraw/zinc/81/81/71/454818171.db2.gz VKEWRWASQQWXRY-OAHLLOKOSA-N 1 2 326.425 3.099 20 30 EGEDLO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2sccc2C#N)n1 ZINC000140219123 454818172 /nfs/dbraw/zinc/81/81/72/454818172.db2.gz VKEWRWASQQWXRY-OAHLLOKOSA-N 1 2 326.425 3.099 20 30 EGEDLO C[C@@H](C#N)NC(=O)c1ccccc1SCc1cn2ccccc2[nH+]1 ZINC000125449580 454823217 /nfs/dbraw/zinc/82/32/17/454823217.db2.gz RZNNCWYWKGIRET-ZDUSSCGKSA-N 1 2 336.420 3.268 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3ccncc3)o2)cc1 ZINC000125570285 454832616 /nfs/dbraw/zinc/83/26/16/454832616.db2.gz VRPALWLNCWMCBT-QGZVFWFLSA-N 1 2 331.379 3.340 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3ccncc3)o2)cc1 ZINC000125570285 454832619 /nfs/dbraw/zinc/83/26/19/454832619.db2.gz VRPALWLNCWMCBT-QGZVFWFLSA-N 1 2 331.379 3.340 20 30 EGEDLO CC[C@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@H](C)O1 ZINC000111274146 454860788 /nfs/dbraw/zinc/86/07/88/454860788.db2.gz QWBVWRQWUGTTGV-WMZOPIPTSA-N 1 2 343.471 3.049 20 30 EGEDLO CC[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@H](C)O1 ZINC000111274146 454860792 /nfs/dbraw/zinc/86/07/92/454860792.db2.gz QWBVWRQWUGTTGV-WMZOPIPTSA-N 1 2 343.471 3.049 20 30 EGEDLO CC(C)(C#N)c1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000160670103 455486225 /nfs/dbraw/zinc/48/62/25/455486225.db2.gz FVIXLWAVVNAMTH-KRWDZBQOSA-N 1 2 349.438 3.283 20 30 EGEDLO N#Cc1ccccc1N1CC[NH+](Cc2ncccc2C(F)(F)F)CC1 ZINC000126919049 454926557 /nfs/dbraw/zinc/92/65/57/454926557.db2.gz FXWPUOXAGNMVOR-UHFFFAOYSA-N 1 2 346.356 3.294 20 30 EGEDLO N#CC[N@@H+](CCC(=O)N[C@H]1CCCc2ccccc21)C1CCCC1 ZINC000151127311 454941957 /nfs/dbraw/zinc/94/19/57/454941957.db2.gz ABBGIJCTBTURAZ-IBGZPJMESA-N 1 2 325.456 3.338 20 30 EGEDLO N#CC[N@H+](CCC(=O)N[C@H]1CCCc2ccccc21)C1CCCC1 ZINC000151127311 454941961 /nfs/dbraw/zinc/94/19/61/454941961.db2.gz ABBGIJCTBTURAZ-IBGZPJMESA-N 1 2 325.456 3.338 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3nc4ccccc4o3)CC2)c(F)c1 ZINC000170647032 454948470 /nfs/dbraw/zinc/94/84/70/454948470.db2.gz SRFSBYDSHVLQPJ-UHFFFAOYSA-N 1 2 336.370 3.161 20 30 EGEDLO COc1ccc(O)c(/C=N/C[C@H](c2c(F)cccc2F)[NH+](C)C)c1 ZINC000114990742 454989839 /nfs/dbraw/zinc/98/98/39/454989839.db2.gz DICWJGWWIPAWPO-PPAWOMOGSA-N 1 2 334.366 3.401 20 30 EGEDLO C[N@H+](Cc1ccccc1C(F)(F)F)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115534076 455019785 /nfs/dbraw/zinc/01/97/85/455019785.db2.gz XIQGZZDKEUNCBM-MRXNPFEDSA-N 1 2 347.340 3.235 20 30 EGEDLO C[N@@H+](Cc1ccccc1C(F)(F)F)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115534076 455019790 /nfs/dbraw/zinc/01/97/90/455019790.db2.gz XIQGZZDKEUNCBM-MRXNPFEDSA-N 1 2 347.340 3.235 20 30 EGEDLO Cc1ccc2[nH+]c(CSCC(=O)N(CC#N)C3CCCC3)cn2c1 ZINC000128283730 455042763 /nfs/dbraw/zinc/04/27/63/455042763.db2.gz JOHRGOPHHWWYCC-UHFFFAOYSA-N 1 2 342.468 3.171 20 30 EGEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000179557964 455057568 /nfs/dbraw/zinc/05/75/68/455057568.db2.gz KCDNRMHJYGDGKY-KRWDZBQOSA-N 1 2 328.437 3.226 20 30 EGEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000179557964 455057571 /nfs/dbraw/zinc/05/75/71/455057571.db2.gz KCDNRMHJYGDGKY-KRWDZBQOSA-N 1 2 328.437 3.226 20 30 EGEDLO COc1ccc2c(c1)C(=O)/C(=C/c1[nH+]ccn1CC(F)(F)F)CO2 ZINC000171540510 455076596 /nfs/dbraw/zinc/07/65/96/455076596.db2.gz LAMNHIYOEWXYKO-UXBLZVDNSA-N 1 2 338.285 3.113 20 30 EGEDLO Cc1ccc(CC(=O)N2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000118396453 455104821 /nfs/dbraw/zinc/10/48/21/455104821.db2.gz DCCFYFCECAWZSJ-SFHVURJKSA-N 1 2 347.462 3.315 20 30 EGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000180051194 455122955 /nfs/dbraw/zinc/12/29/55/455122955.db2.gz XCMXFFKDAFVSTP-DZGCQCFKSA-N 1 2 339.399 3.460 20 30 EGEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000156481381 455123665 /nfs/dbraw/zinc/12/36/65/455123665.db2.gz JMGJRTBQTXZOKO-LJQANCHMSA-N 1 2 327.378 3.347 20 30 EGEDLO O=c1[nH]c2ccccc2n1C1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000157327065 455184228 /nfs/dbraw/zinc/18/42/28/455184228.db2.gz VVCQPSYDQRDLAK-UHFFFAOYSA-N 1 2 349.409 3.157 20 30 EGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCCCCC#N)n2)C1 ZINC000264074388 455189214 /nfs/dbraw/zinc/18/92/14/455189214.db2.gz BXXVOXCCYFWKEL-ZDUSSCGKSA-N 1 2 335.477 3.190 20 30 EGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCCCC#N)n2)C1 ZINC000264074388 455189220 /nfs/dbraw/zinc/18/92/20/455189220.db2.gz BXXVOXCCYFWKEL-ZDUSSCGKSA-N 1 2 335.477 3.190 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCCCCC#N)c1ccc(Cl)cc1 ZINC000264154642 455193271 /nfs/dbraw/zinc/19/32/71/455193271.db2.gz RFZWIRPHAHTEKL-HNNXBMFYSA-N 1 2 345.834 3.156 20 30 EGEDLO CC(C)Oc1ccc(NC(=O)NCc2cn3ccccc3[nH+]2)cc1C#N ZINC000157616371 455213260 /nfs/dbraw/zinc/21/32/60/455213260.db2.gz YXJRRQRMFOUUFI-UHFFFAOYSA-N 1 2 349.394 3.315 20 30 EGEDLO C=CCNC(=O)C[NH2+][C@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000181161893 455296678 /nfs/dbraw/zinc/29/66/78/455296678.db2.gz FAXVIALDYNUPCE-LJQANCHMSA-N 1 2 344.842 3.330 20 30 EGEDLO C=CCn1c(SCc2[nH+]ccn2C)nnc1-c1cccc(OC)c1 ZINC000158851798 455333863 /nfs/dbraw/zinc/33/38/63/455333863.db2.gz NLLADKRTCDGKOG-UHFFFAOYSA-N 1 2 341.440 3.166 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(OC)ccc1OCc1ccccn1 ZINC000184081679 455352112 /nfs/dbraw/zinc/35/21/12/455352112.db2.gz OLMKTYMCHQCOOG-INIZCTEOSA-N 1 2 325.412 3.451 20 30 EGEDLO C=CC[NH+](CC=C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000174159984 455365784 /nfs/dbraw/zinc/36/57/84/455365784.db2.gz VYWBNFJJXXGSFN-UHFFFAOYSA-N 1 2 345.187 3.340 20 30 EGEDLO Cc1cc([C@@H]([NH2+]CC(=O)NCC#N)c2ccccc2Cl)ccc1F ZINC000175134927 455422516 /nfs/dbraw/zinc/42/25/16/455422516.db2.gz MKEQFEIBUZOBAD-GOSISDBHSA-N 1 2 345.805 3.106 20 30 EGEDLO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1nc(Cc2ccccc2)no1 ZINC000266460936 455429910 /nfs/dbraw/zinc/42/99/10/455429910.db2.gz MBBOCGCSQHYGKL-OAHLLOKOSA-N 1 2 348.406 3.414 20 30 EGEDLO C=CCn1c(SCCn2cc[nH+]c2)nnc1-c1ccccc1C ZINC000160190237 455436778 /nfs/dbraw/zinc/43/67/78/455436778.db2.gz BVZUUFOMRCRCRU-UHFFFAOYSA-N 1 2 325.441 3.428 20 30 EGEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184868024 455464230 /nfs/dbraw/zinc/46/42/30/455464230.db2.gz SJQNVNHANQQDMO-OAHLLOKOSA-N 1 2 325.412 3.193 20 30 EGEDLO N#CCC[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000160635901 455482902 /nfs/dbraw/zinc/48/29/02/455482902.db2.gz COACJSJOCIXCHQ-SFHVURJKSA-N 1 2 337.427 3.275 20 30 EGEDLO C=C(Br)C[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000185087298 455499344 /nfs/dbraw/zinc/49/93/44/455499344.db2.gz RRQRPEBRKBBRKA-VIFPVBQESA-N 1 2 326.169 3.435 20 30 EGEDLO N#CC1(NC(=O)c2ccc(SCc3cn4ccccc4[nH+]3)cc2)CC1 ZINC000160860360 455506631 /nfs/dbraw/zinc/50/66/31/455506631.db2.gz YJZIQRSDPRBNEY-UHFFFAOYSA-N 1 2 348.431 3.413 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000246691919 455517319 /nfs/dbraw/zinc/51/73/19/455517319.db2.gz ZQFPLHVFIZIEBR-KKSFZXQISA-N 1 2 349.434 3.133 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000246691919 455517322 /nfs/dbraw/zinc/51/73/22/455517322.db2.gz ZQFPLHVFIZIEBR-KKSFZXQISA-N 1 2 349.434 3.133 20 30 EGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc(F)c1C#N ZINC000192249922 455581756 /nfs/dbraw/zinc/58/17/56/455581756.db2.gz GMZQWNRYHBVPKV-UHFFFAOYSA-N 1 2 328.391 3.009 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000268270713 455636661 /nfs/dbraw/zinc/63/66/61/455636661.db2.gz CFOGDCRUYHJDMG-DYVFJYSZSA-N 1 2 347.434 3.432 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000268270713 455636667 /nfs/dbraw/zinc/63/66/67/455636667.db2.gz CFOGDCRUYHJDMG-DYVFJYSZSA-N 1 2 347.434 3.432 20 30 EGEDLO C=CCC[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000186028420 455679180 /nfs/dbraw/zinc/67/91/80/455679180.db2.gz UYDUXAYLOJXIHY-LJQANCHMSA-N 1 2 335.451 3.480 20 30 EGEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000248530302 455718639 /nfs/dbraw/zinc/71/86/39/455718639.db2.gz MTBREIHISOBOJS-WMZOPIPTSA-N 1 2 331.847 3.285 20 30 EGEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000248530302 455718643 /nfs/dbraw/zinc/71/86/43/455718643.db2.gz MTBREIHISOBOJS-WMZOPIPTSA-N 1 2 331.847 3.285 20 30 EGEDLO C=CCC(C)(C)CNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000292903659 455765664 /nfs/dbraw/zinc/76/56/64/455765664.db2.gz WKFVSRCMCXHDAR-INIZCTEOSA-N 1 2 330.476 3.072 20 30 EGEDLO CC[C@](C)(C#N)C(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000284981152 455771318 /nfs/dbraw/zinc/77/13/18/455771318.db2.gz DMTMNZQCFDSRAK-OAQYLSRUSA-N 1 2 348.450 3.200 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000193894770 455785256 /nfs/dbraw/zinc/78/52/56/455785256.db2.gz OYIVISJISUBGKT-QGZVFWFLSA-N 1 2 337.489 3.296 20 30 EGEDLO C=CCc1cc(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cc(OC)c1O ZINC000294032680 455804040 /nfs/dbraw/zinc/80/40/40/455804040.db2.gz OIYNHOFRGNLHCG-UXHICEINSA-N 1 2 329.440 3.273 20 30 EGEDLO C=CCc1cc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cc(OC)c1O ZINC000294032680 455804043 /nfs/dbraw/zinc/80/40/43/455804043.db2.gz OIYNHOFRGNLHCG-UXHICEINSA-N 1 2 329.440 3.273 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](c1ccc(C)cc1)c1ccccn1 ZINC000279852368 455875453 /nfs/dbraw/zinc/87/54/53/455875453.db2.gz BCKNLHOTFVNIAV-OAQYLSRUSA-N 1 2 337.467 3.494 20 30 EGEDLO CC(C)c1nnc([C@H]2C[N@@H+]([C@@H](C)c3ccc(C#N)cc3)CCO2)o1 ZINC000280130069 455898947 /nfs/dbraw/zinc/89/89/47/455898947.db2.gz QMNJLDJTOZJPJN-XJKSGUPXSA-N 1 2 326.400 3.199 20 30 EGEDLO CC(C)c1nnc([C@H]2C[N@H+]([C@@H](C)c3ccc(C#N)cc3)CCO2)o1 ZINC000280130069 455898951 /nfs/dbraw/zinc/89/89/51/455898951.db2.gz QMNJLDJTOZJPJN-XJKSGUPXSA-N 1 2 326.400 3.199 20 30 EGEDLO COC(=O)C[N@H+](CCCCC#N)Cc1ccc(C(F)(F)F)cc1 ZINC000187754445 455947776 /nfs/dbraw/zinc/94/77/76/455947776.db2.gz WTRXJGFBTWGUGB-UHFFFAOYSA-N 1 2 328.334 3.374 20 30 EGEDLO COC(=O)C[N@@H+](CCCCC#N)Cc1ccc(C(F)(F)F)cc1 ZINC000187754445 455947780 /nfs/dbraw/zinc/94/77/80/455947780.db2.gz WTRXJGFBTWGUGB-UHFFFAOYSA-N 1 2 328.334 3.374 20 30 EGEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000286266048 456012115 /nfs/dbraw/zinc/01/21/15/456012115.db2.gz BEMXDJVXOKEGSI-CQSZACIVSA-N 1 2 346.736 3.139 20 30 EGEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000286266048 456012117 /nfs/dbraw/zinc/01/21/17/456012117.db2.gz BEMXDJVXOKEGSI-CQSZACIVSA-N 1 2 346.736 3.139 20 30 EGEDLO C#CCN(C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1CC1 ZINC000296714135 456017504 /nfs/dbraw/zinc/01/75/04/456017504.db2.gz AMMCMQAHPTWRGV-UHFFFAOYSA-N 1 2 332.407 3.231 20 30 EGEDLO Cc1oc(C#N)cc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000280749286 456044191 /nfs/dbraw/zinc/04/41/91/456044191.db2.gz XQQLLGVKVZHVQP-UHFFFAOYSA-N 1 2 338.411 3.165 20 30 EGEDLO N#CCC[N@H+](Cc1ccccn1)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000287846956 456080234 /nfs/dbraw/zinc/08/02/34/456080234.db2.gz QZZZDLNCPDPLKA-SFHVURJKSA-N 1 2 329.831 3.054 20 30 EGEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000287846956 456080238 /nfs/dbraw/zinc/08/02/38/456080238.db2.gz QZZZDLNCPDPLKA-SFHVURJKSA-N 1 2 329.831 3.054 20 30 EGEDLO COc1ccc(OCc2ccccn2)c(C[N@H+](C)C[C@H](C)C#N)c1 ZINC000271124626 456133629 /nfs/dbraw/zinc/13/36/29/456133629.db2.gz JZSZAICIVWRNSD-OAHLLOKOSA-N 1 2 325.412 3.261 20 30 EGEDLO COc1ccc(OCc2ccccn2)c(C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000271124626 456133637 /nfs/dbraw/zinc/13/36/37/456133637.db2.gz JZSZAICIVWRNSD-OAHLLOKOSA-N 1 2 325.412 3.261 20 30 EGEDLO CC1(C)C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1[C@H]1CCCO1 ZINC000289701394 456138693 /nfs/dbraw/zinc/13/86/93/456138693.db2.gz IOJUVZSLYOLDHP-WBVHZDCISA-N 1 2 347.846 3.040 20 30 EGEDLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1[C@H]1CCCO1 ZINC000289701394 456138697 /nfs/dbraw/zinc/13/86/97/456138697.db2.gz IOJUVZSLYOLDHP-WBVHZDCISA-N 1 2 347.846 3.040 20 30 EGEDLO Cc1cnn([C@H]2CC[N@H+](Cc3ccc(Br)cc3C#N)C2)c1 ZINC000289922667 456181932 /nfs/dbraw/zinc/18/19/32/456181932.db2.gz ORQDTOZMEMHKBL-INIZCTEOSA-N 1 2 345.244 3.273 20 30 EGEDLO Cc1cnn([C@H]2CC[N@@H+](Cc3ccc(Br)cc3C#N)C2)c1 ZINC000289922667 456181936 /nfs/dbraw/zinc/18/19/36/456181936.db2.gz ORQDTOZMEMHKBL-INIZCTEOSA-N 1 2 345.244 3.273 20 30 EGEDLO Cc1nn(C(C)C)cc1C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000281437129 456234195 /nfs/dbraw/zinc/23/41/95/456234195.db2.gz COIPGCNXIXFKMI-UHFFFAOYSA-N 1 2 341.434 3.105 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000273536156 456236979 /nfs/dbraw/zinc/23/69/79/456236979.db2.gz UTEMAYGBXBVBFH-IAGOWNOFSA-N 1 2 334.460 3.172 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2coc(-c3ccc(Cl)cc3)n2)C1=O ZINC000281467030 456242371 /nfs/dbraw/zinc/24/23/71/456242371.db2.gz VRFZEZNRVRHGIO-MRXNPFEDSA-N 1 2 345.830 3.214 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2coc(-c3ccc(Cl)cc3)n2)C1=O ZINC000281467030 456242376 /nfs/dbraw/zinc/24/23/76/456242376.db2.gz VRFZEZNRVRHGIO-MRXNPFEDSA-N 1 2 345.830 3.214 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)OCC ZINC000274137742 456250738 /nfs/dbraw/zinc/25/07/38/456250738.db2.gz APBIUCBELWNALE-NVXWUHKLSA-N 1 2 336.501 3.325 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)c2nc3ccccc3n2C(F)F)C1=O ZINC000281518957 456256027 /nfs/dbraw/zinc/25/60/27/456256027.db2.gz ZFQBHOHMIXBPBI-IUODEOHRSA-N 1 2 348.397 3.211 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)c2nc3ccccc3n2C(F)F)C1=O ZINC000281518957 456256034 /nfs/dbraw/zinc/25/60/34/456256034.db2.gz ZFQBHOHMIXBPBI-IUODEOHRSA-N 1 2 348.397 3.211 20 30 EGEDLO CCOCN(C(=O)C[NH+]1CCC(C#N)CC1)c1c(C)cccc1CC ZINC000274827188 456266334 /nfs/dbraw/zinc/26/63/34/456266334.db2.gz GJRSVKVMIPRXKT-UHFFFAOYSA-N 1 2 343.471 3.120 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)c2ccccc2Br)C1=O ZINC000337128159 456328687 /nfs/dbraw/zinc/32/86/87/456328687.db2.gz HOFSTIRIYINFIO-IUODEOHRSA-N 1 2 337.261 3.229 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)c2ccccc2Br)C1=O ZINC000337128159 456328693 /nfs/dbraw/zinc/32/86/93/456328693.db2.gz HOFSTIRIYINFIO-IUODEOHRSA-N 1 2 337.261 3.229 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000352815030 456331534 /nfs/dbraw/zinc/33/15/34/456331534.db2.gz KSHPUSFCCNXHNS-INIZCTEOSA-N 1 2 336.476 3.184 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000352815030 456331541 /nfs/dbraw/zinc/33/15/41/456331541.db2.gz KSHPUSFCCNXHNS-INIZCTEOSA-N 1 2 336.476 3.184 20 30 EGEDLO N#CC1(CCC[N@@H+]2CCO[C@@H](c3ccccc3F)C2)CCOCC1 ZINC000281976880 456379036 /nfs/dbraw/zinc/37/90/36/456379036.db2.gz LQJUVSUJMASEFK-GOSISDBHSA-N 1 2 332.419 3.300 20 30 EGEDLO N#CC1(CCC[N@H+]2CCO[C@@H](c3ccccc3F)C2)CCOCC1 ZINC000281976880 456379042 /nfs/dbraw/zinc/37/90/42/456379042.db2.gz LQJUVSUJMASEFK-GOSISDBHSA-N 1 2 332.419 3.300 20 30 EGEDLO C[C@@H]1CN(c2ccc(NCc3cc(C#N)cs3)c[nH+]2)C[C@@H](C)O1 ZINC000347810873 456380623 /nfs/dbraw/zinc/38/06/23/456380623.db2.gz LTLQOWAMFITFIV-CHWSQXEVSA-N 1 2 328.441 3.240 20 30 EGEDLO C=CCc1cc(CNc2nc[nH+]c(N)c2Cl)cc(OC)c1OC ZINC000302870422 456421824 /nfs/dbraw/zinc/42/18/24/456421824.db2.gz BFMKZTUTSDPEEO-UHFFFAOYSA-N 1 2 334.807 3.070 20 30 EGEDLO C=CCc1cc(CNc2[nH+]cnc(N)c2Cl)cc(OC)c1OC ZINC000302870422 456421837 /nfs/dbraw/zinc/42/18/37/456421837.db2.gz BFMKZTUTSDPEEO-UHFFFAOYSA-N 1 2 334.807 3.070 20 30 EGEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000298652116 456509465 /nfs/dbraw/zinc/50/94/65/456509465.db2.gz WOFNFAGGSHDJBH-UHFFFAOYSA-N 1 2 338.402 3.030 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000337808312 456560061 /nfs/dbraw/zinc/56/00/61/456560061.db2.gz LGRBJBIPPGAPCP-UHFFFAOYSA-N 1 2 330.391 3.042 20 30 EGEDLO C[C@H](CC#N)[NH2+]Cc1ccc(I)cc1Cl ZINC000308977063 456573668 /nfs/dbraw/zinc/57/36/68/456573668.db2.gz GYMXBNNFNKTXHJ-MRVPVSSYSA-N 1 2 334.588 3.336 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000338003166 456649789 /nfs/dbraw/zinc/64/97/89/456649789.db2.gz YGLUFQOTZWAQFM-QGZVFWFLSA-N 1 2 348.450 3.419 20 30 EGEDLO Cc1c(Cl)cnc(NCc2ccc(N3CCCCC3)[nH+]c2)c1C#N ZINC000343509770 456668634 /nfs/dbraw/zinc/66/86/34/456668634.db2.gz JXIJIXHZUQCSJJ-UHFFFAOYSA-N 1 2 341.846 3.334 20 30 EGEDLO Cc1ccc2ncc(C#N)c(N3CCN(c4cccc[nH+]4)CC3)c2c1 ZINC000291699185 456726055 /nfs/dbraw/zinc/72/60/55/456726055.db2.gz UEONDHSAPZCGDR-UHFFFAOYSA-N 1 2 329.407 3.137 20 30 EGEDLO Cc1cn2cc(C(=O)NC[C@H]3CCCn4cc(C)[nH+]c43)sc2n1 ZINC000328656151 456729609 /nfs/dbraw/zinc/72/96/09/456729609.db2.gz NNIMDVBGCLKHEB-GFCCVEGCSA-N 1 2 329.429 3.091 20 30 EGEDLO O=C(NC[C@@H]1CCCC(F)(F)C1)NC[C@H]1CCCn2cc[nH+]c21 ZINC000328687112 456737041 /nfs/dbraw/zinc/73/70/41/456737041.db2.gz YTUDUHIFYAMDIE-CHWSQXEVSA-N 1 2 326.391 3.090 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCc3c1cc(F)cc3F)CCC2 ZINC000328704068 456741318 /nfs/dbraw/zinc/74/13/18/456741318.db2.gz KKHYMCCERMINBR-LBPRGKRZSA-N 1 2 346.381 3.324 20 30 EGEDLO Cc1cc(C)n([C@H](C)CC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000328757359 456754308 /nfs/dbraw/zinc/75/43/08/456754308.db2.gz UZQDXHFLIMVJNU-HZPDHXFCSA-N 1 2 327.432 3.081 20 30 EGEDLO COc1ccc(-c2nnc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)o2)cc1 ZINC000338352247 456782428 /nfs/dbraw/zinc/78/24/28/456782428.db2.gz IFILYGZDQPQXDH-ZDUSSCGKSA-N 1 2 334.379 3.468 20 30 EGEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CCC[C@@H]1[C@@H]1CCCO1 ZINC000328879759 456782543 /nfs/dbraw/zinc/78/25/43/456782543.db2.gz LOZVDXGGIITELI-CABCVRRESA-N 1 2 348.834 3.045 20 30 EGEDLO C[C@@H]1CCC[C@H](NC(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)[C@H]1C ZINC000328956610 456800048 /nfs/dbraw/zinc/80/00/48/456800048.db2.gz JFCFQUHZJLQMPR-OHFALNGGSA-N 1 2 348.491 3.216 20 30 EGEDLO Cc1noc([C@@H]2CC[N@H+](CC(=O)Nc3cccc(Cl)c3C)C2)n1 ZINC000329029130 456817618 /nfs/dbraw/zinc/81/76/18/456817618.db2.gz KSRAAZYIGDVWKU-GFCCVEGCSA-N 1 2 334.807 3.417 20 30 EGEDLO Cc1noc([C@@H]2CC[N@@H+](CC(=O)Nc3cccc(Cl)c3C)C2)n1 ZINC000329029130 456817625 /nfs/dbraw/zinc/81/76/25/456817625.db2.gz KSRAAZYIGDVWKU-GFCCVEGCSA-N 1 2 334.807 3.417 20 30 EGEDLO CC(=O)N1CC[N@@H+](CC(=O)NC2CCC(C)CC2)CC12CCCCC2 ZINC000329068610 456827342 /nfs/dbraw/zinc/82/73/42/456827342.db2.gz XQNHAPBMSNOEMB-UHFFFAOYSA-N 1 2 349.519 3.389 20 30 EGEDLO CC(=O)N1CC[N@H+](CC(=O)NC2CCC(C)CC2)CC12CCCCC2 ZINC000329068610 456827346 /nfs/dbraw/zinc/82/73/46/456827346.db2.gz XQNHAPBMSNOEMB-UHFFFAOYSA-N 1 2 349.519 3.389 20 30 EGEDLO Cc1ccc2c(c1C)OC[C@@H]2NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329239303 456859200 /nfs/dbraw/zinc/85/92/00/456859200.db2.gz LVTIMLSLFIPLEE-ZWKOTPCHSA-N 1 2 344.455 3.337 20 30 EGEDLO Cc1ccc2c(c1C)OC[C@@H]2NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329239303 456859204 /nfs/dbraw/zinc/85/92/04/456859204.db2.gz LVTIMLSLFIPLEE-ZWKOTPCHSA-N 1 2 344.455 3.337 20 30 EGEDLO CC1(C)[C@H](NC(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@@H]2CCCO[C@H]21 ZINC000329275035 456864976 /nfs/dbraw/zinc/86/49/76/456864976.db2.gz JOTGIMRVNONQAH-RCCFBDPRSA-N 1 2 339.439 3.440 20 30 EGEDLO C=CCc1cc(CNc2cc(C)[nH+]c(C3CC3)n2)cc(OC)c1OC ZINC000341500724 456870727 /nfs/dbraw/zinc/87/07/27/456870727.db2.gz MWYJQSUPXWWQQL-UHFFFAOYSA-N 1 2 339.439 3.442 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1C[C@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000329337036 456874162 /nfs/dbraw/zinc/87/41/62/456874162.db2.gz MGIXZDWGFHDPRN-HLLBOEOZSA-N 1 2 348.491 3.263 20 30 EGEDLO Cc1ccn2cc(CNC(=O)Nc3cnc4c(c3)CCCC4)[nH+]c2c1 ZINC000329333238 456874550 /nfs/dbraw/zinc/87/45/50/456874550.db2.gz NHGUYIQRFHFLGM-UHFFFAOYSA-N 1 2 335.411 3.443 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1cccc3c1OCO3)C2 ZINC000329376988 456881014 /nfs/dbraw/zinc/88/10/14/456881014.db2.gz LSYLVTBMJQCHHB-LBPRGKRZSA-N 1 2 341.411 3.229 20 30 EGEDLO C[C@@H]1CCN(C([O-])=[NH+]c2cnc3c(c2)CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000329422829 456887568 /nfs/dbraw/zinc/88/75/68/456887568.db2.gz FEWVIILOGUUCFP-KDOFPFPSSA-N 1 2 339.443 3.286 20 30 EGEDLO C[C@@H]1CCN(C(=O)Nc2cnc3c(c2)CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000329422829 456887570 /nfs/dbraw/zinc/88/75/70/456887570.db2.gz FEWVIILOGUUCFP-KDOFPFPSSA-N 1 2 339.443 3.286 20 30 EGEDLO C[C@H](NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1nc[nH]n1 ZINC000329475339 456896853 /nfs/dbraw/zinc/89/68/53/456896853.db2.gz PBNHVLWHAVAJES-GXTWGEPZSA-N 1 2 342.447 3.329 20 30 EGEDLO C[C@H](NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1nnc[nH]1 ZINC000329475339 456896855 /nfs/dbraw/zinc/89/68/55/456896855.db2.gz PBNHVLWHAVAJES-GXTWGEPZSA-N 1 2 342.447 3.329 20 30 EGEDLO C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329641968 456920189 /nfs/dbraw/zinc/92/01/89/456920189.db2.gz CTQRLESODFWGCJ-QANKJYHBSA-N 1 2 330.428 3.109 20 30 EGEDLO C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329641968 456920192 /nfs/dbraw/zinc/92/01/92/456920192.db2.gz CTQRLESODFWGCJ-QANKJYHBSA-N 1 2 330.428 3.109 20 30 EGEDLO C[C@@H]1C[C@H](c2cccc(F)c2)N(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329728744 456932556 /nfs/dbraw/zinc/93/25/56/456932556.db2.gz PBIUIKIWPUFQJE-HNJNHCNJSA-N 1 2 342.418 3.403 20 30 EGEDLO [O-]C(N[C@@H]1CCc2[nH+]c[nH]c2C1)=[NH+][C@H]1CCSc2ccc(F)cc21 ZINC000329732442 456933163 /nfs/dbraw/zinc/93/31/63/456933163.db2.gz QDRFRDQFLLIGIH-YPMHNXCESA-N 1 2 346.431 3.147 20 30 EGEDLO [O-]C(N[C@H]1CCSc2ccc(F)cc21)=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329732442 456933169 /nfs/dbraw/zinc/93/31/69/456933169.db2.gz QDRFRDQFLLIGIH-YPMHNXCESA-N 1 2 346.431 3.147 20 30 EGEDLO CCO[C@@H]1C[C@H](NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C12CCCC2 ZINC000329817226 456945139 /nfs/dbraw/zinc/94/51/39/456945139.db2.gz WMPVKPKIZAMOBZ-JKSUJKDBSA-N 1 2 346.475 3.241 20 30 EGEDLO Cc1ccccc1[C@H]1C[C@H]([NH+]=C([O-])NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329818654 456945872 /nfs/dbraw/zinc/94/58/72/456945872.db2.gz XFJYKWNPVGPTKC-ULQDDVLXSA-N 1 2 338.455 3.204 20 30 EGEDLO O=C(CC1(O)CCCC1)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000329976791 456968983 /nfs/dbraw/zinc/96/89/83/456968983.db2.gz FOLXYQARRNRLTI-KBPBESRZSA-N 1 2 340.464 3.312 20 30 EGEDLO O=C(CC1(O)CCCC1)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000329976791 456968988 /nfs/dbraw/zinc/96/89/88/456968988.db2.gz FOLXYQARRNRLTI-KBPBESRZSA-N 1 2 340.464 3.312 20 30 EGEDLO CC(C)(C#N)CC[N@@H+]1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000345729042 456990315 /nfs/dbraw/zinc/99/03/15/456990315.db2.gz NSIPQDHNQIJJQE-AWEZNQCLSA-N 1 2 339.361 3.118 20 30 EGEDLO CC(C)(C#N)CC[N@H+]1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000345729042 456990320 /nfs/dbraw/zinc/99/03/20/456990320.db2.gz NSIPQDHNQIJJQE-AWEZNQCLSA-N 1 2 339.361 3.118 20 30 EGEDLO C[C@@H](c1cc(F)ccc1F)[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000339212860 456994722 /nfs/dbraw/zinc/99/47/22/456994722.db2.gz FUXWWKYREUMNHE-ZDUSSCGKSA-N 1 2 343.377 3.146 20 30 EGEDLO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000339212860 456994726 /nfs/dbraw/zinc/99/47/26/456994726.db2.gz FUXWWKYREUMNHE-ZDUSSCGKSA-N 1 2 343.377 3.146 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H](C)C[C@H]1CCCO1 ZINC000330244198 457010219 /nfs/dbraw/zinc/01/02/19/457010219.db2.gz CYXZVPQZRMHLAJ-OAGGEKHMSA-N 1 2 334.464 3.302 20 30 EGEDLO CSC1(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)CCC1 ZINC000330246726 457011584 /nfs/dbraw/zinc/01/15/84/457011584.db2.gz LKHJQPAZOOYSRR-UHFFFAOYSA-N 1 2 346.456 3.273 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+]2CCC=C(c3ccccc3)C2)c(C#N)c1C ZINC000341983058 457042046 /nfs/dbraw/zinc/04/20/46/457042046.db2.gz DUCRAKFARRWZJR-UHFFFAOYSA-N 1 2 335.407 3.496 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+]2CCC=C(c3ccccc3)C2)c(C#N)c1C ZINC000341983058 457042050 /nfs/dbraw/zinc/04/20/50/457042050.db2.gz DUCRAKFARRWZJR-UHFFFAOYSA-N 1 2 335.407 3.496 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000341986857 457042828 /nfs/dbraw/zinc/04/28/28/457042828.db2.gz ICWVGFSKUFLSCG-UHFFFAOYSA-N 1 2 329.375 3.233 20 30 EGEDLO C=CCCO[C@H](C)C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000339292449 457044582 /nfs/dbraw/zinc/04/45/82/457044582.db2.gz YCPHIIYNVCLUCU-CYBMUJFWSA-N 1 2 327.428 3.048 20 30 EGEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(CC(F)(F)F)CC2)cc1 ZINC000342022406 457063848 /nfs/dbraw/zinc/06/38/48/457063848.db2.gz RXNOLHDGGUZMNG-UHFFFAOYSA-N 1 2 325.334 3.161 20 30 EGEDLO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCC[C@H]2C#N)cc1 ZINC000330656463 457066922 /nfs/dbraw/zinc/06/69/22/457066922.db2.gz LLPHVBOEXQUSLU-YOEHRIQHSA-N 1 2 334.485 3.040 20 30 EGEDLO C[C@@H](CC1CCOCC1)C[N@@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000349828723 457068698 /nfs/dbraw/zinc/06/86/98/457068698.db2.gz BQUVEJCKXSAPBR-GHTZIAJQSA-N 1 2 341.499 3.149 20 30 EGEDLO C[C@@H](CC1CCOCC1)C[N@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000349828723 457068702 /nfs/dbraw/zinc/06/87/02/457068702.db2.gz BQUVEJCKXSAPBR-GHTZIAJQSA-N 1 2 341.499 3.149 20 30 EGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H]2CCCCS2)c1C ZINC000330807723 457089413 /nfs/dbraw/zinc/08/94/13/457089413.db2.gz JHNHJMYYCMMTPM-AWEZNQCLSA-N 1 2 337.489 3.339 20 30 EGEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)CC(C)(C)C#N)CC1 ZINC000354202629 457127109 /nfs/dbraw/zinc/12/71/09/457127109.db2.gz DIXWFTQCWCWOQI-KRWDZBQOSA-N 1 2 349.425 3.500 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)OCC)cc1OC ZINC000350101577 457165028 /nfs/dbraw/zinc/16/50/28/457165028.db2.gz XSMSHASNYGJYNR-MRXNPFEDSA-N 1 2 333.428 3.178 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)OCC)cc1OC ZINC000350101577 457165031 /nfs/dbraw/zinc/16/50/31/457165031.db2.gz XSMSHASNYGJYNR-MRXNPFEDSA-N 1 2 333.428 3.178 20 30 EGEDLO CC[NH+]=C([O-])Nc1cccc(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1C ZINC000331331066 457168150 /nfs/dbraw/zinc/16/81/50/457168150.db2.gz HTOZMVVABITEJV-CHWSQXEVSA-N 1 2 332.448 3.152 20 30 EGEDLO C=CCOCCCC(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000354281470 457170285 /nfs/dbraw/zinc/17/02/85/457170285.db2.gz KKIFEHATJAPJAA-UHFFFAOYSA-N 1 2 341.455 3.327 20 30 EGEDLO C=CC[N@H+](Cc1ccc2c(c1)NC(=O)CO2)Cc1ccccc1F ZINC000350663334 457195795 /nfs/dbraw/zinc/19/57/95/457195795.db2.gz VZPIUQYKVKCFJW-UHFFFAOYSA-N 1 2 326.371 3.345 20 30 EGEDLO C=CC[N@@H+](Cc1ccc2c(c1)NC(=O)CO2)Cc1ccccc1F ZINC000350663334 457195797 /nfs/dbraw/zinc/19/57/97/457195797.db2.gz VZPIUQYKVKCFJW-UHFFFAOYSA-N 1 2 326.371 3.345 20 30 EGEDLO CCCCc1[nH]c2ccc(NC(=O)Cc3noc(C)c3C#N)cc2[nH+]1 ZINC000354406943 457202322 /nfs/dbraw/zinc/20/23/22/457202322.db2.gz QYFWVRXCJVPERH-UHFFFAOYSA-N 1 2 337.383 3.255 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(F)c(C(F)(F)F)cc2F)C1=O ZINC000347088806 457223966 /nfs/dbraw/zinc/22/39/66/457223966.db2.gz NHYUACPUZKQTFW-AWEZNQCLSA-N 1 2 348.315 3.202 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(F)c(C(F)(F)F)cc2F)C1=O ZINC000347088806 457223968 /nfs/dbraw/zinc/22/39/68/457223968.db2.gz NHYUACPUZKQTFW-AWEZNQCLSA-N 1 2 348.315 3.202 20 30 EGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1ncc(C#N)cc1Cl ZINC000331918202 457273435 /nfs/dbraw/zinc/27/34/35/457273435.db2.gz NWVRDHKHGIWJFW-CQSZACIVSA-N 1 2 343.818 3.190 20 30 EGEDLO COCCN(C)c1ccc(/C=C\c2nc3ccccc3n2CC#N)c[nH+]1 ZINC000352006046 457329152 /nfs/dbraw/zinc/32/91/52/457329152.db2.gz GECACNXWDUCDLE-NTMALXAHSA-N 1 2 347.422 3.208 20 30 EGEDLO N#CC1(NC(=O)C[N@H+](Cc2ccccc2Cl)CC2CC2)CCC1 ZINC000352240364 457350768 /nfs/dbraw/zinc/35/07/68/457350768.db2.gz GVJLPUUBZGXHHZ-UHFFFAOYSA-N 1 2 331.847 3.114 20 30 EGEDLO N#CC1(NC(=O)C[N@@H+](Cc2ccccc2Cl)CC2CC2)CCC1 ZINC000352240364 457350772 /nfs/dbraw/zinc/35/07/72/457350772.db2.gz GVJLPUUBZGXHHZ-UHFFFAOYSA-N 1 2 331.847 3.114 20 30 EGEDLO C=CCCC1(C(=O)N2CCC[N@@H+](Cc3csc(C)n3)CC2)CC1 ZINC000355656514 457396754 /nfs/dbraw/zinc/39/67/54/457396754.db2.gz IVXRFZSZYAGZPQ-UHFFFAOYSA-N 1 2 333.501 3.232 20 30 EGEDLO C=CCCC1(C(=O)N2CCC[N@H+](Cc3csc(C)n3)CC2)CC1 ZINC000355656514 457396759 /nfs/dbraw/zinc/39/67/59/457396759.db2.gz IVXRFZSZYAGZPQ-UHFFFAOYSA-N 1 2 333.501 3.232 20 30 EGEDLO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[NH+]1CCC(F)(C#N)CC1 ZINC000352483257 457404908 /nfs/dbraw/zinc/40/49/08/457404908.db2.gz HWEBUVDZLKSHEB-QWHCGFSZSA-N 1 2 337.826 3.233 20 30 EGEDLO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[NH+]1CCC(F)(C#N)CC1 ZINC000352491123 457410540 /nfs/dbraw/zinc/41/05/40/457410540.db2.gz NTODWYFICHAMND-UONOGXRCSA-N 1 2 343.402 3.326 20 30 EGEDLO CC(C)C[C@@H](NC(=O)C[NH+]1CCC(F)(C#N)CC1)c1ccccc1 ZINC000352490149 457411299 /nfs/dbraw/zinc/41/12/99/457411299.db2.gz GFYNZXWBLBMLBO-QGZVFWFLSA-N 1 2 331.435 3.218 20 30 EGEDLO C=CCSCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000357280119 457418830 /nfs/dbraw/zinc/41/88/30/457418830.db2.gz ZZKUXYSXWLBMIB-KRWDZBQOSA-N 1 2 336.476 3.216 20 30 EGEDLO C=CCSCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000357280119 457418837 /nfs/dbraw/zinc/41/88/37/457418837.db2.gz ZZKUXYSXWLBMIB-KRWDZBQOSA-N 1 2 336.476 3.216 20 30 EGEDLO CC[N@H+](CCc1nc2sc3c(c2c(N)n1)CCCC3)C[C@@H](C)C#N ZINC000357329818 457450032 /nfs/dbraw/zinc/45/00/32/457450032.db2.gz FVTOOXDFCZPRAV-LBPRGKRZSA-N 1 2 343.500 3.176 20 30 EGEDLO CC[N@@H+](CCc1nc2sc3c(c2c(N)n1)CCCC3)C[C@@H](C)C#N ZINC000357329818 457450039 /nfs/dbraw/zinc/45/00/39/457450039.db2.gz FVTOOXDFCZPRAV-LBPRGKRZSA-N 1 2 343.500 3.176 20 30 EGEDLO COc1ccc(C#N)cc1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000360953144 457460646 /nfs/dbraw/zinc/46/06/46/457460646.db2.gz IBXQILQDYWSQJD-UHFFFAOYSA-N 1 2 347.378 3.074 20 30 EGEDLO Cc1cc(N2CCN(c3nc4ccccc4s3)CC2)c(C#N)c[nH+]1 ZINC000425206993 457461867 /nfs/dbraw/zinc/46/18/67/457461867.db2.gz LVNUSQZUHGXXJZ-UHFFFAOYSA-N 1 2 335.436 3.198 20 30 EGEDLO Cc1cc(N2CC[NH+]([C@H](C)c3ccc(F)cc3F)CC2)c(C#N)cn1 ZINC000425221977 457465596 /nfs/dbraw/zinc/46/55/96/457465596.db2.gz HVFWFXZEOQQUPB-CQSZACIVSA-N 1 2 342.393 3.423 20 30 EGEDLO COc1cc(OC)c2ncc(C#N)c(NCCc3cc[nH+]cc3C)c2c1 ZINC000342777684 457520088 /nfs/dbraw/zinc/52/00/88/457520088.db2.gz JKIPBFXFKMGWGW-UHFFFAOYSA-N 1 2 348.406 3.482 20 30 EGEDLO C=CCCC1(C(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)CC1 ZINC000356314391 457568636 /nfs/dbraw/zinc/56/86/36/457568636.db2.gz ZNPBUQYSCHXAQF-HZPDHXFCSA-N 1 2 348.512 3.373 20 30 EGEDLO C=CCCC1(C(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000356314391 457568643 /nfs/dbraw/zinc/56/86/43/457568643.db2.gz ZNPBUQYSCHXAQF-HZPDHXFCSA-N 1 2 348.512 3.373 20 30 EGEDLO C=CCSCCNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361129753 457600037 /nfs/dbraw/zinc/60/00/37/457600037.db2.gz FCJOLNZPWDCWQR-UHFFFAOYSA-N 1 2 336.505 3.004 20 30 EGEDLO C=CC[C@@H](CO)CNc1cc[nH+]c2c(Br)ccc(F)c12 ZINC000409725801 457614258 /nfs/dbraw/zinc/61/42/58/457614258.db2.gz DRFICMNUHINCOY-SNVBAGLBSA-N 1 2 339.208 3.155 20 30 EGEDLO C=C(C)[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccc(F)c(F)c1 ZINC000364916598 457717663 /nfs/dbraw/zinc/71/76/63/457717663.db2.gz ODIRVCLIRJEDRS-SUMWQHHRSA-N 1 2 331.366 3.157 20 30 EGEDLO Cn1cc(C[N@@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)cc1C#N ZINC000365263538 457734778 /nfs/dbraw/zinc/73/47/78/457734778.db2.gz CUHKYAVVNOKWFY-QGZVFWFLSA-N 1 2 347.365 3.072 20 30 EGEDLO Cn1cc(C[N@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)cc1C#N ZINC000365263538 457734779 /nfs/dbraw/zinc/73/47/79/457734779.db2.gz CUHKYAVVNOKWFY-QGZVFWFLSA-N 1 2 347.365 3.072 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000361480538 457744712 /nfs/dbraw/zinc/74/47/12/457744712.db2.gz YFHQTVYRBBAIKD-HNNXBMFYSA-N 1 2 343.477 3.348 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000361480538 457744715 /nfs/dbraw/zinc/74/47/15/457744715.db2.gz YFHQTVYRBBAIKD-HNNXBMFYSA-N 1 2 343.477 3.348 20 30 EGEDLO C[N@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)CC(C)(C)C#N ZINC000433311112 457807599 /nfs/dbraw/zinc/80/75/99/457807599.db2.gz FWTSLYPRTGIILJ-SFHVURJKSA-N 1 2 341.480 3.435 20 30 EGEDLO C[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)CC(C)(C)C#N ZINC000433311112 457807604 /nfs/dbraw/zinc/80/76/04/457807604.db2.gz FWTSLYPRTGIILJ-SFHVURJKSA-N 1 2 341.480 3.435 20 30 EGEDLO C[N@H+](CC(=O)NCC1(c2ccccc2)CCCCC1)CC(C)(C)C#N ZINC000433322120 457810211 /nfs/dbraw/zinc/81/02/11/457810211.db2.gz PRPWGYCPMBKMIV-UHFFFAOYSA-N 1 2 341.499 3.486 20 30 EGEDLO C[N@@H+](CC(=O)NCC1(c2ccccc2)CCCCC1)CC(C)(C)C#N ZINC000433322120 457810213 /nfs/dbraw/zinc/81/02/13/457810213.db2.gz PRPWGYCPMBKMIV-UHFFFAOYSA-N 1 2 341.499 3.486 20 30 EGEDLO CC(C)(C)C(=O)N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000366465310 457817298 /nfs/dbraw/zinc/81/72/98/457817298.db2.gz HJCPCXJFHLVABL-UHFFFAOYSA-N 1 2 332.875 3.272 20 30 EGEDLO CC(C)(C)C(=O)N1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000366465310 457817304 /nfs/dbraw/zinc/81/73/04/457817304.db2.gz HJCPCXJFHLVABL-UHFFFAOYSA-N 1 2 332.875 3.272 20 30 EGEDLO CC(C)([NH2+]Cc1ccc(C#N)c(F)c1)c1cn(-c2ccccc2)nn1 ZINC000361750811 457833416 /nfs/dbraw/zinc/83/34/16/457833416.db2.gz OYJPMEPLDDKESK-UHFFFAOYSA-N 1 2 335.386 3.303 20 30 EGEDLO N#CCc1cccc(C(=O)N2CC[NH2+][C@@H](c3ccccc3Cl)C2)c1 ZINC000366909944 457909222 /nfs/dbraw/zinc/90/92/22/457909222.db2.gz RWFXZLYLZXHPPP-GOSISDBHSA-N 1 2 339.826 3.193 20 30 EGEDLO CC(C)(C)OC(=O)CC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444774557 457972288 /nfs/dbraw/zinc/97/22/88/457972288.db2.gz JOOAPHGLNSISBN-UHFFFAOYSA-N 1 2 349.862 3.065 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCSC2(CCC2)CC1 ZINC000411868499 457995589 /nfs/dbraw/zinc/99/55/89/457995589.db2.gz KWYKIFWPSOZNEY-MRXNPFEDSA-N 1 2 330.453 3.134 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCSC2(CCC2)CC1 ZINC000411868499 457995595 /nfs/dbraw/zinc/99/55/95/457995595.db2.gz KWYKIFWPSOZNEY-MRXNPFEDSA-N 1 2 330.453 3.134 20 30 EGEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000361997095 457997907 /nfs/dbraw/zinc/99/79/07/457997907.db2.gz RDWOWZBGVURIAM-UHFFFAOYSA-N 1 2 345.468 3.191 20 30 EGEDLO C=CC[N@H+](CCOC)CC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000361997095 457997915 /nfs/dbraw/zinc/99/79/15/457997915.db2.gz RDWOWZBGVURIAM-UHFFFAOYSA-N 1 2 345.468 3.191 20 30 EGEDLO CCc1nc([C@@H]2CCCC[N@@H+]2CCOc2ccc(C#N)cc2)no1 ZINC000369236055 458136951 /nfs/dbraw/zinc/13/69/51/458136951.db2.gz LSWBBOZNHHLTQP-INIZCTEOSA-N 1 2 326.400 3.110 20 30 EGEDLO CCc1nc([C@@H]2CCCC[N@H+]2CCOc2ccc(C#N)cc2)no1 ZINC000369236055 458136957 /nfs/dbraw/zinc/13/69/57/458136957.db2.gz LSWBBOZNHHLTQP-INIZCTEOSA-N 1 2 326.400 3.110 20 30 EGEDLO N#C[C@H]1N(Cc2ccc(-n3cc[nH+]c3)cc2)CCC[C@@]12CCCCO2 ZINC000369306029 458166489 /nfs/dbraw/zinc/16/64/89/458166489.db2.gz NQNWNZZEKQWPKK-UXHICEINSA-N 1 2 336.439 3.300 20 30 EGEDLO CN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000362438935 458177132 /nfs/dbraw/zinc/17/71/32/458177132.db2.gz NKFUOGAPOFGCFF-SFTDATJTSA-N 1 2 347.462 3.417 20 30 EGEDLO CN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000362438935 458177138 /nfs/dbraw/zinc/17/71/38/458177138.db2.gz NKFUOGAPOFGCFF-SFTDATJTSA-N 1 2 347.462 3.417 20 30 EGEDLO Cc1ccc2[nH+]c(CNC(=O)c3cccc(SCC#N)c3)cn2c1 ZINC000358769139 458204811 /nfs/dbraw/zinc/20/48/11/458204811.db2.gz RJHJHJVVBYAMDH-UHFFFAOYSA-N 1 2 336.420 3.188 20 30 EGEDLO N#Cc1cnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)c(F)c1 ZINC000413027523 458291419 /nfs/dbraw/zinc/29/14/19/458291419.db2.gz MNKCOZKWXUKGOK-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO CC(C)(CC#N)CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000459400545 458359860 /nfs/dbraw/zinc/35/98/60/458359860.db2.gz MPFSCMFBLURIAH-UHFFFAOYSA-N 1 2 341.415 3.023 20 30 EGEDLO N#C[C@@]1(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)CC12CCCC2 ZINC000448566149 458402084 /nfs/dbraw/zinc/40/20/84/458402084.db2.gz QGXHMQMQTJMWJC-NOUOYNBVSA-N 1 2 349.478 3.318 20 30 EGEDLO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccc(Cl)cc1C#N ZINC000459582410 458419911 /nfs/dbraw/zinc/41/99/11/458419911.db2.gz REGNFESTGVFHGG-UHFFFAOYSA-N 1 2 346.862 3.211 20 30 EGEDLO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccc(Cl)cc1C#N ZINC000459582410 458419917 /nfs/dbraw/zinc/41/99/17/458419917.db2.gz REGNFESTGVFHGG-UHFFFAOYSA-N 1 2 346.862 3.211 20 30 EGEDLO C=CCC[C@@H]([NH2+]Cc1c[nH]nc1-c1cccc(C)c1)C(=O)OCC ZINC000449655975 458428710 /nfs/dbraw/zinc/42/87/10/458428710.db2.gz IQFYXKXANOJOTA-QGZVFWFLSA-N 1 2 327.428 3.373 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)CCCC1 ZINC000449855004 458433300 /nfs/dbraw/zinc/43/33/00/458433300.db2.gz KDAYPYZSEBKSHW-UHFFFAOYSA-N 1 2 333.501 3.232 20 30 EGEDLO C#CC[N@H+](Cc1nc(-c2ccccn2)no1)[C@H]1CCc2ccccc21 ZINC000377685637 458509845 /nfs/dbraw/zinc/50/98/45/458509845.db2.gz ACHIIDWAFZVNTP-SFHVURJKSA-N 1 2 330.391 3.254 20 30 EGEDLO C#CC[N@@H+](Cc1nc(-c2ccccn2)no1)[C@H]1CCc2ccccc21 ZINC000377685637 458509848 /nfs/dbraw/zinc/50/98/48/458509848.db2.gz ACHIIDWAFZVNTP-SFHVURJKSA-N 1 2 330.391 3.254 20 30 EGEDLO C=CCOc1ccccc1CNC(=O)NCc1c[nH+]c(C)cc1C ZINC000454483151 458563654 /nfs/dbraw/zinc/56/36/54/458563654.db2.gz JOCMOKRZVIWOMY-UHFFFAOYSA-N 1 2 325.412 3.263 20 30 EGEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)Cc1cccc(OCC#N)c1 ZINC000373658626 458567477 /nfs/dbraw/zinc/56/74/77/458567477.db2.gz GUQREKKUYDHPBB-UHFFFAOYSA-N 1 2 346.390 3.469 20 30 EGEDLO Cc1sc(NC(=O)C[NH+]2CCC(OCC3CC3)CC2)c(C#N)c1C ZINC000377994351 458592773 /nfs/dbraw/zinc/59/27/73/458592773.db2.gz ODMMNWMZKKIOGI-UHFFFAOYSA-N 1 2 347.484 3.066 20 30 EGEDLO COc1cc(C#N)ccc1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000546709040 458663539 /nfs/dbraw/zinc/66/35/39/458663539.db2.gz NPDFOWYKQNCJDC-UHFFFAOYSA-N 1 2 347.378 3.074 20 30 EGEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1nnnn1-c1ccccc1 ZINC000439423174 458700710 /nfs/dbraw/zinc/70/07/10/458700710.db2.gz OOUSFVXSKYGYJV-GFCCVEGCSA-N 1 2 338.802 3.038 20 30 EGEDLO C[C@@](C#N)(NC(=O)C[N@@H+](Cc1ccccc1Cl)CC1CC1)C1CC1 ZINC000503659885 458720108 /nfs/dbraw/zinc/72/01/08/458720108.db2.gz PPLBCGLYPJZETL-IBGZPJMESA-N 1 2 345.874 3.360 20 30 EGEDLO C[C@@](C#N)(NC(=O)C[N@H+](Cc1ccccc1Cl)CC1CC1)C1CC1 ZINC000503659885 458720115 /nfs/dbraw/zinc/72/01/15/458720115.db2.gz PPLBCGLYPJZETL-IBGZPJMESA-N 1 2 345.874 3.360 20 30 EGEDLO COc1cc(C#N)ccc1NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000547414573 458734791 /nfs/dbraw/zinc/73/47/91/458734791.db2.gz DYYSZJKHTCGPFG-CQSZACIVSA-N 1 2 325.372 3.049 20 30 EGEDLO C=C[C@@H]1CCCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000495172895 458804890 /nfs/dbraw/zinc/80/48/90/458804890.db2.gz JESVVCGCMKFPME-OAHLLOKOSA-N 1 2 328.391 3.262 20 30 EGEDLO Cc1noc([C@H]([NH2+]CC#Cc2ccc(Cl)cc2)C2CCOCC2)n1 ZINC000551833051 458889583 /nfs/dbraw/zinc/88/95/83/458889583.db2.gz GXHHGHNZIJOXJN-QGZVFWFLSA-N 1 2 345.830 3.140 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000566428579 458929664 /nfs/dbraw/zinc/92/96/64/458929664.db2.gz GYTPGUGMUWXIMH-AWEZNQCLSA-N 1 2 346.431 3.093 20 30 EGEDLO N#CCCC1CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000577277465 459010202 /nfs/dbraw/zinc/01/02/02/459010202.db2.gz SWEMEPUBGSBXEA-UHFFFAOYSA-N 1 2 337.427 3.098 20 30 EGEDLO CCc1nc(C)c(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)o1 ZINC000589990707 459061441 /nfs/dbraw/zinc/06/14/41/459061441.db2.gz AUJHUZXWTJWBMN-QGZVFWFLSA-N 1 2 342.418 3.067 20 30 EGEDLO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@H](C)C#N ZINC000594612967 459114084 /nfs/dbraw/zinc/11/40/84/459114084.db2.gz RIDSOGYYTWNORE-NSHDSACASA-N 1 2 333.233 3.193 20 30 EGEDLO C=CCOC[C@@H]([NH2+]CC1CCC(c2ccccc2)CC1)C(=O)OC ZINC000578125051 459148879 /nfs/dbraw/zinc/14/88/79/459148879.db2.gz KPSUYVRLTPKZID-NKELODKYSA-N 1 2 331.456 3.294 20 30 EGEDLO N#Cc1nc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)sc1Cl ZINC000590574971 459152769 /nfs/dbraw/zinc/15/27/69/459152769.db2.gz QPWKNZRGCAXVLX-UHFFFAOYSA-N 1 2 333.779 3.027 20 30 EGEDLO N#C[C@H]1CC[C@@H](NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000567741535 459158002 /nfs/dbraw/zinc/15/80/02/459158002.db2.gz CTPUCVXRDJGZSB-RGIVZKHGSA-N 1 2 349.438 3.103 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000578245325 459169984 /nfs/dbraw/zinc/16/99/84/459169984.db2.gz KWZSVKBFSGIUOP-QGZVFWFLSA-N 1 2 337.423 3.486 20 30 EGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCC3(CC#N)CC3)n2)C1 ZINC000559292400 459249062 /nfs/dbraw/zinc/24/90/62/459249062.db2.gz KHWNFEUHABBGEX-ZDUSSCGKSA-N 1 2 347.488 3.190 20 30 EGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC3(CC#N)CC3)n2)C1 ZINC000559292400 459249067 /nfs/dbraw/zinc/24/90/67/459249067.db2.gz KHWNFEUHABBGEX-ZDUSSCGKSA-N 1 2 347.488 3.190 20 30 EGEDLO Cc1[nH]c(CNc2ccc3c(c2)CCC(=O)N3CCCC#N)[nH+]c1C ZINC000568269668 459262046 /nfs/dbraw/zinc/26/20/46/459262046.db2.gz STYPAPOBABULEV-UHFFFAOYSA-N 1 2 337.427 3.222 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[N@H+](CCC(C)(C)C#N)C[C@@](C)(F)C1 ZINC000496635218 459268089 /nfs/dbraw/zinc/26/80/89/459268089.db2.gz BPTPYJAKTPSDEL-QGZVFWFLSA-N 1 2 327.444 3.207 20 30 EGEDLO Cc1cnccc1C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000581171989 459269061 /nfs/dbraw/zinc/26/90/61/459269061.db2.gz ZKWNZRIAPLVTSJ-IBGZPJMESA-N 1 2 340.858 3.426 20 30 EGEDLO C[C@@H]1c2c(F)cccc2CC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000523449348 459305813 /nfs/dbraw/zinc/30/58/13/459305813.db2.gz GKKCOSNCWGXFNF-OAHLLOKOSA-N 1 2 343.446 3.430 20 30 EGEDLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000523449348 459305816 /nfs/dbraw/zinc/30/58/16/459305816.db2.gz GKKCOSNCWGXFNF-OAHLLOKOSA-N 1 2 343.446 3.430 20 30 EGEDLO Cn1c2ccc(CNC(=O)Cc3cccc(C#N)c3)cc2[nH+]c1C1CC1 ZINC000591080160 459308393 /nfs/dbraw/zinc/30/83/93/459308393.db2.gz WNRNCJIWBGFJMN-UHFFFAOYSA-N 1 2 344.418 3.181 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000568633193 459320076 /nfs/dbraw/zinc/32/00/76/459320076.db2.gz CRQWFSNYKWXAMB-ZENOOKHLSA-N 1 2 340.254 3.057 20 30 EGEDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)s1 ZINC000591241464 459338928 /nfs/dbraw/zinc/33/89/28/459338928.db2.gz VLBOAKBEDWJWHT-YGRLFVJLSA-N 1 2 327.409 3.139 20 30 EGEDLO CCC[C@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000535441256 459355965 /nfs/dbraw/zinc/35/59/65/459355965.db2.gz KAKHLSDHKNBRNL-INIZCTEOSA-N 1 2 327.346 3.438 20 30 EGEDLO CCC[C@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000535441256 459355971 /nfs/dbraw/zinc/35/59/71/459355971.db2.gz KAKHLSDHKNBRNL-INIZCTEOSA-N 1 2 327.346 3.438 20 30 EGEDLO N#Cc1sccc1N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000595633430 459376678 /nfs/dbraw/zinc/37/66/78/459376678.db2.gz WRDJSAQEYQEAOI-UHFFFAOYSA-N 1 2 349.463 3.128 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](c2ccc(CC)cc2)C1 ZINC000484351367 459412615 /nfs/dbraw/zinc/41/26/15/459412615.db2.gz IPEUDBPEQIOCOK-YLJYHZDGSA-N 1 2 344.499 3.435 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](c2ccc(CC)cc2)C1 ZINC000484351367 459412620 /nfs/dbraw/zinc/41/26/20/459412620.db2.gz IPEUDBPEQIOCOK-YLJYHZDGSA-N 1 2 344.499 3.435 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@H](c2ccc(CC)cc2)C1 ZINC000484574986 459420745 /nfs/dbraw/zinc/42/07/45/459420745.db2.gz YAOFHOLXGUDNRO-PXNSSMCTSA-N 1 2 342.483 3.211 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCO[C@H](c2ccc(CC)cc2)C1 ZINC000484574986 459420748 /nfs/dbraw/zinc/42/07/48/459420748.db2.gz YAOFHOLXGUDNRO-PXNSSMCTSA-N 1 2 342.483 3.211 20 30 EGEDLO CC(C)(C)OC(=O)NCC[C@@H]([NH2+]Cc1cccc(C#N)c1)C(F)F ZINC000497096505 459437702 /nfs/dbraw/zinc/43/77/02/459437702.db2.gz FNWCMHMYXMKDRY-CQSZACIVSA-N 1 2 339.386 3.196 20 30 EGEDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000497113371 459445054 /nfs/dbraw/zinc/44/50/54/459445054.db2.gz NWMABYIQAMKLTO-WFASDCNBSA-N 1 2 333.407 3.185 20 30 EGEDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cccc(C#N)c1F ZINC000497113371 459445055 /nfs/dbraw/zinc/44/50/55/459445055.db2.gz NWMABYIQAMKLTO-WFASDCNBSA-N 1 2 333.407 3.185 20 30 EGEDLO C=CCCC1(C(=O)N2CCCN(Cc3[nH+]ccn3C(C)C)CC2)CC1 ZINC000526001944 459529640 /nfs/dbraw/zinc/52/96/40/459529640.db2.gz UHNHJMADFYLPRJ-UHFFFAOYSA-N 1 2 344.503 3.245 20 30 EGEDLO C=CCCC1(C(=O)N2CCC[N@@H+](Cc3nccn3C(C)C)CC2)CC1 ZINC000526001944 459529646 /nfs/dbraw/zinc/52/96/46/459529646.db2.gz UHNHJMADFYLPRJ-UHFFFAOYSA-N 1 2 344.503 3.245 20 30 EGEDLO C=CCCC1(C(=O)N2CCC[N@H+](Cc3nccn3C(C)C)CC2)CC1 ZINC000526001944 459529650 /nfs/dbraw/zinc/52/96/50/459529650.db2.gz UHNHJMADFYLPRJ-UHFFFAOYSA-N 1 2 344.503 3.245 20 30 EGEDLO Cc1nc(N[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)ccc1C#N ZINC000487921192 459535103 /nfs/dbraw/zinc/53/51/03/459535103.db2.gz WFTOPLYLSIBCKA-KRWDZBQOSA-N 1 2 337.814 3.272 20 30 EGEDLO CC(C)(C)c1ncc(C[NH+]2CCN(c3cnccc3C#N)CC2)s1 ZINC000562387130 459551255 /nfs/dbraw/zinc/55/12/55/459551255.db2.gz QULPRUUZYSLJBT-UHFFFAOYSA-N 1 2 341.484 3.029 20 30 EGEDLO C=CCn1c(SCc2c[nH+]cn2C)nnc1-c1cccc(OC)c1 ZINC000488905501 459556176 /nfs/dbraw/zinc/55/61/76/459556176.db2.gz CAZCYUNBTQMAEZ-UHFFFAOYSA-N 1 2 341.440 3.166 20 30 EGEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C(=O)OC ZINC000489397209 459562949 /nfs/dbraw/zinc/56/29/49/459562949.db2.gz HBSNJWZPHISBFY-ZDUSSCGKSA-N 1 2 336.457 3.131 20 30 EGEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C(=O)OC ZINC000489397209 459562958 /nfs/dbraw/zinc/56/29/58/459562958.db2.gz HBSNJWZPHISBFY-ZDUSSCGKSA-N 1 2 336.457 3.131 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(CCOc2ccccc2)CC1 ZINC000526941802 459562846 /nfs/dbraw/zinc/56/28/46/459562846.db2.gz VSXQHHZCLPAKFX-SFHVURJKSA-N 1 2 335.451 3.316 20 30 EGEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C(=O)OC ZINC000489397204 459563056 /nfs/dbraw/zinc/56/30/56/459563056.db2.gz HBSNJWZPHISBFY-CYBMUJFWSA-N 1 2 336.457 3.131 20 30 EGEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C(=O)OC ZINC000489397204 459563060 /nfs/dbraw/zinc/56/30/60/459563060.db2.gz HBSNJWZPHISBFY-CYBMUJFWSA-N 1 2 336.457 3.131 20 30 EGEDLO C#CCN(C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21)C1CCCCC1 ZINC000490840393 459589154 /nfs/dbraw/zinc/58/91/54/459589154.db2.gz OCFIKWHMDYZZEB-INIZCTEOSA-N 1 2 328.460 3.046 20 30 EGEDLO Cc1c(N2CCC[C@@H](CC#N)C2)nc[nH+]c1N1CCC[C@@H](CC#N)C1 ZINC000596326522 459596732 /nfs/dbraw/zinc/59/67/32/459596732.db2.gz UPMQJTHDEAERTH-IRXDYDNUSA-N 1 2 338.459 3.045 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(c2c(F)cccc2F)CC1 ZINC000527299098 459625226 /nfs/dbraw/zinc/62/52/26/459625226.db2.gz QMPBLPVCJKAGNC-ZDUSSCGKSA-N 1 2 347.409 3.095 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cc(C)c3ncccc3c2)n1 ZINC000491515203 459632519 /nfs/dbraw/zinc/63/25/19/459632519.db2.gz MJQALELFOOYDBO-UHFFFAOYSA-N 1 2 348.450 3.022 20 30 EGEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cc(C)c3ncccc3c2)n1 ZINC000491515203 459632528 /nfs/dbraw/zinc/63/25/28/459632528.db2.gz MJQALELFOOYDBO-UHFFFAOYSA-N 1 2 348.450 3.022 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1cc(C(=O)OC)n(C)c1)c1ccc(Cl)cc1F ZINC000491537755 459634607 /nfs/dbraw/zinc/63/46/07/459634607.db2.gz SZBRJLQIBFAGEW-OAHLLOKOSA-N 1 2 334.778 3.068 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(Cl)c(C)c2)n1 ZINC000491556457 459637528 /nfs/dbraw/zinc/63/75/28/459637528.db2.gz XQRNHYORDOAYHR-UHFFFAOYSA-N 1 2 331.847 3.127 20 30 EGEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(Cl)c(C)c2)n1 ZINC000491556457 459637535 /nfs/dbraw/zinc/63/75/35/459637535.db2.gz XQRNHYORDOAYHR-UHFFFAOYSA-N 1 2 331.847 3.127 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1cc(OC)ccc1OCOC)c1ccc(F)cc1 ZINC000491698266 459655638 /nfs/dbraw/zinc/65/56/38/459655638.db2.gz HILRZMFUMMEFBR-GOSISDBHSA-N 1 2 329.371 3.281 20 30 EGEDLO Cc1cc(NC(=O)c2ccc(C#N)cn2)c[nH+]c1N1CCCC[C@@H]1C ZINC000543733766 459691857 /nfs/dbraw/zinc/69/18/57/459691857.db2.gz WLUMLXLKKKPIRJ-AWEZNQCLSA-N 1 2 335.411 3.288 20 30 EGEDLO N#CCc1ccc(NC(=O)NCc2ccc[nH+]c2N2CCCC2)cc1 ZINC000596659286 459717960 /nfs/dbraw/zinc/71/79/60/459717960.db2.gz HGQLMVHTVIUNKI-UHFFFAOYSA-N 1 2 335.411 3.070 20 30 EGEDLO CC[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)[C@@H](C)CO1 ZINC000593064900 459762334 /nfs/dbraw/zinc/76/23/34/459762334.db2.gz WKXPXKIUKUFKRB-FUHWJXTLSA-N 1 2 343.471 3.049 20 30 EGEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)[C@@H](C)CO1 ZINC000593064900 459762338 /nfs/dbraw/zinc/76/23/38/459762338.db2.gz WKXPXKIUKUFKRB-FUHWJXTLSA-N 1 2 343.471 3.049 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000563365093 459764059 /nfs/dbraw/zinc/76/40/59/459764059.db2.gz ACXORXPDAUXATG-CQSZACIVSA-N 1 2 328.441 3.339 20 30 EGEDLO Cn1cc[nH+]c1[C@H](CC(=O)N[C@@H](C#N)C1CCCCC1)C(F)(F)F ZINC000563381565 459765202 /nfs/dbraw/zinc/76/52/02/459765202.db2.gz QNRCZPIVRXZSBW-STQMWFEESA-N 1 2 342.365 3.045 20 30 EGEDLO CC[C@H](CC#N)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000563547706 459766747 /nfs/dbraw/zinc/76/67/47/459766747.db2.gz XSMVZEVLSYQSPI-IUODEOHRSA-N 1 2 337.370 3.065 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000574098388 459778875 /nfs/dbraw/zinc/77/88/75/459778875.db2.gz OJTWDJFYDTYRQK-INIZCTEOSA-N 1 2 339.443 3.018 20 30 EGEDLO Cc1nc(C[N@H+](C)CCOCc2ccc(C#N)cc2)nc2ccccc12 ZINC000574118096 459780326 /nfs/dbraw/zinc/78/03/26/459780326.db2.gz YJRFLVDQTXJINM-UHFFFAOYSA-N 1 2 346.434 3.459 20 30 EGEDLO Cc1nc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)nc2ccccc12 ZINC000574118096 459780328 /nfs/dbraw/zinc/78/03/28/459780328.db2.gz YJRFLVDQTXJINM-UHFFFAOYSA-N 1 2 346.434 3.459 20 30 EGEDLO CC1CC(C#N)(C(=O)N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)C1 ZINC000565358585 459783303 /nfs/dbraw/zinc/78/33/03/459783303.db2.gz IIJPIBFNTGCSTH-UHFFFAOYSA-N 1 2 336.439 3.284 20 30 EGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000565540587 459785506 /nfs/dbraw/zinc/78/55/06/459785506.db2.gz AOYBLQVBWFABOA-MRXNPFEDSA-N 1 2 329.448 3.217 20 30 EGEDLO CCCn1nccc1C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000597117408 459842429 /nfs/dbraw/zinc/84/24/29/459842429.db2.gz OWQCRMYSDAPZOI-UHFFFAOYSA-N 1 2 343.862 3.140 20 30 EGEDLO N#Cc1sccc1N1CC[NH+](Cc2nc3c(s2)CCCC3)CC1 ZINC000597184423 459867255 /nfs/dbraw/zinc/86/72/55/459867255.db2.gz WGCLNFARFRAZDJ-UHFFFAOYSA-N 1 2 344.509 3.277 20 30 EGEDLO CCc1cccc(OCCN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000608923093 459894842 /nfs/dbraw/zinc/89/48/42/459894842.db2.gz KKVRMWZOPUAVQG-UHFFFAOYSA-N 1 2 349.478 3.317 20 30 EGEDLO C=CCOc1cccnc1-c1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000546392730 459917229 /nfs/dbraw/zinc/91/72/29/459917229.db2.gz DNJKBAVXWILDME-UHFFFAOYSA-N 1 2 347.378 3.243 20 30 EGEDLO CC[N@@H+](Cc1ccc(I)s1)C[C@H](C)C#N ZINC000602448503 459942764 /nfs/dbraw/zinc/94/27/64/459942764.db2.gz VLVBQOZANPAKLA-SECBINFHSA-N 1 2 334.226 3.334 20 30 EGEDLO CC[N@H+](Cc1ccc(I)s1)C[C@H](C)C#N ZINC000602448503 459942774 /nfs/dbraw/zinc/94/27/74/459942774.db2.gz VLVBQOZANPAKLA-SECBINFHSA-N 1 2 334.226 3.334 20 30 EGEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000593962053 460029500 /nfs/dbraw/zinc/02/95/00/460029500.db2.gz POBMJZGQPRKCIG-MRXNPFEDSA-N 1 2 348.450 3.048 20 30 EGEDLO COc1ccc(Br)c(C[N@H+](C)Cc2cccc(C#N)n2)c1 ZINC000602639468 460035372 /nfs/dbraw/zinc/03/53/72/460035372.db2.gz SGWLRLKGZMABTN-UHFFFAOYSA-N 1 2 346.228 3.356 20 30 EGEDLO COc1ccc(Br)c(C[N@@H+](C)Cc2cccc(C#N)n2)c1 ZINC000602639468 460035377 /nfs/dbraw/zinc/03/53/77/460035377.db2.gz SGWLRLKGZMABTN-UHFFFAOYSA-N 1 2 346.228 3.356 20 30 EGEDLO N#Cc1ccc(CNC(=O)Nc2ccn3cc[nH+]c3c2)cc1Cl ZINC000589342793 460075890 /nfs/dbraw/zinc/07/58/90/460075890.db2.gz MFHQZBKCQDKISF-UHFFFAOYSA-N 1 2 325.759 3.181 20 30 EGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H](C)CC#N)c1C#N ZINC000602870694 460166152 /nfs/dbraw/zinc/16/61/52/460166152.db2.gz VHNZDIIOGOGCLP-ZDUSSCGKSA-N 1 2 341.459 3.312 20 30 EGEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000602870092 460166576 /nfs/dbraw/zinc/16/65/76/460166576.db2.gz SJTDPAHMXGGVJW-VXGBXAGGSA-N 1 2 330.457 3.107 20 30 EGEDLO CSC1CC[NH+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000602924499 460187337 /nfs/dbraw/zinc/18/73/37/460187337.db2.gz XBSQYXWFFHFGAW-LLVKDONJSA-N 1 2 349.525 3.263 20 30 EGEDLO N#Cc1cnc(C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)nc1 ZINC000576730508 460203867 /nfs/dbraw/zinc/20/38/67/460203867.db2.gz CAFOAZGJWHXVKH-AWEZNQCLSA-N 1 2 335.436 3.338 20 30 EGEDLO N#Cc1cnc(C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)nc1 ZINC000576730508 460203873 /nfs/dbraw/zinc/20/38/73/460203873.db2.gz CAFOAZGJWHXVKH-AWEZNQCLSA-N 1 2 335.436 3.338 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618893061 460211239 /nfs/dbraw/zinc/21/12/39/460211239.db2.gz WANBIUTVOZKSII-SFHVURJKSA-N 1 2 344.418 3.410 20 30 EGEDLO C=C(C)[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(F)c(F)c1 ZINC000576826266 460220764 /nfs/dbraw/zinc/22/07/64/460220764.db2.gz OCCRZUDNJZKXHF-GUYCJALGSA-N 1 2 331.366 3.157 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCCc1ccc(F)cc1)Cc1ccccc1F ZINC000615353586 460314285 /nfs/dbraw/zinc/31/42/85/460314285.db2.gz FPVMUABBMQVWCM-UHFFFAOYSA-N 1 2 344.405 3.312 20 30 EGEDLO C=CC[N@H+](CC(=O)NCCc1ccc(F)cc1)Cc1ccccc1F ZINC000615353586 460314287 /nfs/dbraw/zinc/31/42/87/460314287.db2.gz FPVMUABBMQVWCM-UHFFFAOYSA-N 1 2 344.405 3.312 20 30 EGEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000619450685 460360311 /nfs/dbraw/zinc/36/03/11/460360311.db2.gz MHYBFQOOVCNHEU-UHFFFAOYSA-N 1 2 333.395 3.022 20 30 EGEDLO N#Cc1ccccc1N1CC[NH+](Cc2nc3c(s2)CCCC3)CC1 ZINC000611447557 460367485 /nfs/dbraw/zinc/36/74/85/460367485.db2.gz ORJCERICWAGDCU-UHFFFAOYSA-N 1 2 338.480 3.216 20 30 EGEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000611551969 460396084 /nfs/dbraw/zinc/39/60/84/460396084.db2.gz YFHYFAIWPJNCJQ-IBGZPJMESA-N 1 2 327.378 3.347 20 30 EGEDLO N#Cc1ccc(CNc2cc(N3CCSCC3)nc[nH+]2)cc1Cl ZINC000619746747 460429939 /nfs/dbraw/zinc/42/99/39/460429939.db2.gz MJARRYDWOWXXGF-UHFFFAOYSA-N 1 2 345.859 3.167 20 30 EGEDLO N#Cc1ccc(CNc2cc(N3CCSCC3)[nH+]cn2)cc1Cl ZINC000619746747 460429948 /nfs/dbraw/zinc/42/99/48/460429948.db2.gz MJARRYDWOWXXGF-UHFFFAOYSA-N 1 2 345.859 3.167 20 30 EGEDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccnc(C#N)c2)CC1 ZINC000604560319 460447259 /nfs/dbraw/zinc/44/72/59/460447259.db2.gz OHVGIMWEAMPINF-AWEZNQCLSA-N 1 2 349.463 3.446 20 30 EGEDLO COc1cc(C#N)ccc1C[N@@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000616132736 460479615 /nfs/dbraw/zinc/47/96/15/460479615.db2.gz TVRJPSMSEDBGJY-OAHLLOKOSA-N 1 2 339.414 3.417 20 30 EGEDLO COc1cc(C#N)ccc1C[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000616132736 460479620 /nfs/dbraw/zinc/47/96/20/460479620.db2.gz TVRJPSMSEDBGJY-OAHLLOKOSA-N 1 2 339.414 3.417 20 30 EGEDLO N#Cc1ccc(NCc2cc[nH+]c(N3CCSCC3)c2)c(F)c1 ZINC000601239810 460762537 /nfs/dbraw/zinc/76/25/37/460762537.db2.gz CMIHSXSDFHHSDB-UHFFFAOYSA-N 1 2 328.416 3.258 20 30 EGEDLO C=CC[C@H]1CCCN(C(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)C1 ZINC000617778323 460974616 /nfs/dbraw/zinc/97/46/16/460974616.db2.gz DDPJSPJGCUIVCW-QWHCGFSZSA-N 1 2 329.366 3.271 20 30 EGEDLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000602076339 461004637 /nfs/dbraw/zinc/00/46/37/461004637.db2.gz YITMFAMEOZMGGJ-INIZCTEOSA-N 1 2 340.452 3.028 20 30 EGEDLO C[N@H+]1CCCC[C@H]1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000602076339 461004641 /nfs/dbraw/zinc/00/46/41/461004641.db2.gz YITMFAMEOZMGGJ-INIZCTEOSA-N 1 2 340.452 3.028 20 30 EGEDLO C=CCOc1ccc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000641986950 461423328 /nfs/dbraw/zinc/42/33/28/461423328.db2.gz FABUOPPSCQPZBW-UHFFFAOYSA-N 1 2 342.464 3.271 20 30 EGEDLO C=CCCC(C)(C)NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000663516325 461683029 /nfs/dbraw/zinc/68/30/29/461683029.db2.gz QPZVCZYSACLZLH-GOSISDBHSA-N 1 2 345.487 3.104 20 30 EGEDLO C=CCOCCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000643475418 461741321 /nfs/dbraw/zinc/74/13/21/461741321.db2.gz PLUJCZHLZHWLOR-UHFFFAOYSA-N 1 2 340.427 3.211 20 30 EGEDLO C=CCCn1cc(C[N@@H+](C)[C@@H](COC)c2ccc(Cl)cc2)nn1 ZINC000653649310 461783542 /nfs/dbraw/zinc/78/35/42/461783542.db2.gz YWRCWJZLFHTADF-KRWDZBQOSA-N 1 2 334.851 3.327 20 30 EGEDLO C=CCCn1cc(C[N@H+](C)[C@@H](COC)c2ccc(Cl)cc2)nn1 ZINC000653649310 461783548 /nfs/dbraw/zinc/78/35/48/461783548.db2.gz YWRCWJZLFHTADF-KRWDZBQOSA-N 1 2 334.851 3.327 20 30 EGEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC000653756513 461843518 /nfs/dbraw/zinc/84/35/18/461843518.db2.gz ATAWQDVKXJYJEZ-WCQYABFASA-N 1 2 327.384 3.244 20 30 EGEDLO C=CCCn1cc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)nn1 ZINC000653762073 461846984 /nfs/dbraw/zinc/84/69/84/461846984.db2.gz SFHIMLSXTMPUHK-LJQANCHMSA-N 1 2 338.455 3.208 20 30 EGEDLO C=CCCn1cc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)nn1 ZINC000653762073 461846993 /nfs/dbraw/zinc/84/69/93/461846993.db2.gz SFHIMLSXTMPUHK-LJQANCHMSA-N 1 2 338.455 3.208 20 30 EGEDLO C=C(C)[C@H]1OCC[C@H]1CNc1nc(C)[nH+]c(C)c1Br ZINC000663870015 461848898 /nfs/dbraw/zinc/84/88/98/461848898.db2.gz LGPVUIPBTVYGPB-WCQYABFASA-N 1 2 326.238 3.249 20 30 EGEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000639724574 462076865 /nfs/dbraw/zinc/07/68/65/462076865.db2.gz ALGRAURPLYWPIE-CABCVRRESA-N 1 2 335.407 3.136 20 30 EGEDLO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1c(F)c(F)cc(F)c1F ZINC000657391599 462092330 /nfs/dbraw/zinc/09/23/30/462092330.db2.gz UZLSNRVIGAFXOK-UHFFFAOYSA-N 1 2 341.230 3.285 20 30 EGEDLO C=CC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)[C@H](C)COC ZINC000661243329 462166848 /nfs/dbraw/zinc/16/68/48/462166848.db2.gz JKEANHMDPUIUKW-MRXNPFEDSA-N 1 2 339.439 3.261 20 30 EGEDLO C=CC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)[C@H](C)COC ZINC000661243329 462166854 /nfs/dbraw/zinc/16/68/54/462166854.db2.gz JKEANHMDPUIUKW-MRXNPFEDSA-N 1 2 339.439 3.261 20 30 EGEDLO C=CC[C@H]1CCC[N@@H+](Cc2nc3cc(S(=O)(=O)CC)ccc3o2)C1 ZINC000661380983 462224959 /nfs/dbraw/zinc/22/49/59/462224959.db2.gz SFYRCCFDVODQGP-AWEZNQCLSA-N 1 2 348.468 3.410 20 30 EGEDLO C=CC[C@H]1CCC[N@H+](Cc2nc3cc(S(=O)(=O)CC)ccc3o2)C1 ZINC000661380983 462224962 /nfs/dbraw/zinc/22/49/62/462224962.db2.gz SFYRCCFDVODQGP-AWEZNQCLSA-N 1 2 348.468 3.410 20 30 EGEDLO C=C[C@H](CO)[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1 ZINC000662167797 462533751 /nfs/dbraw/zinc/53/37/51/462533751.db2.gz HJIGDCHFBAKBTQ-OAHLLOKOSA-N 1 2 345.468 3.081 20 30 EGEDLO Cc1nsc(N2CCC[N@H+](Cc3ccc(Cl)cc3C#N)CC2)n1 ZINC000187092263 534503461 /nfs/dbraw/zinc/50/34/61/534503461.db2.gz XWURKWBBAHVGJV-UHFFFAOYSA-N 1 2 347.875 3.084 20 30 EGEDLO Cc1nsc(N2CCC[N@@H+](Cc3ccc(Cl)cc3C#N)CC2)n1 ZINC000187092263 534503469 /nfs/dbraw/zinc/50/34/69/534503469.db2.gz XWURKWBBAHVGJV-UHFFFAOYSA-N 1 2 347.875 3.084 20 30 EGEDLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(C#N)s1 ZINC000154865965 527929661 /nfs/dbraw/zinc/92/96/61/527929661.db2.gz YBUXDODMXZDHLX-UHFFFAOYSA-N 1 2 329.425 3.089 20 30 EGEDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(C#N)s1 ZINC000154865965 527929674 /nfs/dbraw/zinc/92/96/74/527929674.db2.gz YBUXDODMXZDHLX-UHFFFAOYSA-N 1 2 329.425 3.089 20 30 EGEDLO COc1ccc2c(c1)OCC[N@@H+](CC(=O)NC1CCC(C)CC1)C2 ZINC000328686049 547482562 /nfs/dbraw/zinc/48/25/62/547482562.db2.gz GAMNFVLKIUMLEH-UHFFFAOYSA-N 1 2 332.444 3.425 20 30 EGEDLO COc1ccc2c(c1)OCC[N@H+](CC(=O)NC1CCC(C)CC1)C2 ZINC000328686049 547482567 /nfs/dbraw/zinc/48/25/67/547482567.db2.gz GAMNFVLKIUMLEH-UHFFFAOYSA-N 1 2 332.444 3.425 20 30 EGEDLO O=C(NCc1c[nH]cn1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329501791 547499671 /nfs/dbraw/zinc/49/96/71/547499671.db2.gz YSVHNKKODXHLKF-AWEZNQCLSA-N 1 2 327.432 3.373 20 30 EGEDLO O=C(N[C@H]1CSc2ccccc21)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329593844 547501667 /nfs/dbraw/zinc/50/16/67/547501667.db2.gz ZVELTMXFTDMNJE-AWEZNQCLSA-N 1 2 328.441 3.350 20 30 EGEDLO CC(=[NH+]Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(N)cc1 ZINC000726426271 574553683 /nfs/dbraw/zinc/55/36/83/574553683.db2.gz MBIRJMZYBAGXOO-UHFFFAOYSA-N 1 2 339.367 3.101 20 30 EGEDLO C#Cc1cccc(NC(=S)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000726453956 574554812 /nfs/dbraw/zinc/55/48/12/574554812.db2.gz JIRPMGPMPDUSSD-UHFFFAOYSA-N 1 2 336.464 3.150 20 30 EGEDLO CN(C)c1ccc(C=[NH+]Nc2nnc(-c3ccccc3)n2C)cc1F ZINC000727651349 574681243 /nfs/dbraw/zinc/68/12/43/574681243.db2.gz VDDSLFFPUJHPOQ-UHFFFAOYSA-N 1 2 338.390 3.133 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000730285290 574965964 /nfs/dbraw/zinc/96/59/64/574965964.db2.gz LCEPUPFJQCSZAV-INIZCTEOSA-N 1 2 343.427 3.070 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000730285290 574965966 /nfs/dbraw/zinc/96/59/66/574965966.db2.gz LCEPUPFJQCSZAV-INIZCTEOSA-N 1 2 343.427 3.070 20 30 EGEDLO C#CCOc1cccc(OC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000730500051 574994466 /nfs/dbraw/zinc/99/44/66/574994466.db2.gz CPIJYJGWAXRPGG-FQEVSTJZSA-N 1 2 335.403 3.269 20 30 EGEDLO C#CCOc1cccc(OC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000730500051 574994467 /nfs/dbraw/zinc/99/44/67/574994467.db2.gz CPIJYJGWAXRPGG-FQEVSTJZSA-N 1 2 335.403 3.269 20 30 EGEDLO C#CCOc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000730982595 575040807 /nfs/dbraw/zinc/04/08/07/575040807.db2.gz HLZGBCMHOKRIQA-UHFFFAOYSA-N 1 2 331.375 3.196 20 30 EGEDLO Cc1c(C(=O)/C=C/c2[nH+]ccn2CC(F)(F)F)c(C#N)c2n1CCC2 ZINC000731938710 575222880 /nfs/dbraw/zinc/22/28/80/575222880.db2.gz RPOFKRWBXHWAKM-SNAWJCMRSA-N 1 2 348.328 3.269 20 30 EGEDLO C#CC(C)(C)NC(=O)c1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000733976674 575417451 /nfs/dbraw/zinc/41/74/51/575417451.db2.gz QHUFAFZPBVJFMM-UHFFFAOYSA-N 1 2 347.418 3.363 20 30 EGEDLO C[C@@H](C(=O)OCc1ccc(C#N)cc1F)[N@@H+]1CCc2ccccc2C1 ZINC000735958371 575741291 /nfs/dbraw/zinc/74/12/91/575741291.db2.gz YITUWZGDBZKDPW-AWEZNQCLSA-N 1 2 338.382 3.187 20 30 EGEDLO C[C@@H](C(=O)OCc1ccc(C#N)cc1F)[N@H+]1CCc2ccccc2C1 ZINC000735958371 575741293 /nfs/dbraw/zinc/74/12/93/575741293.db2.gz YITUWZGDBZKDPW-AWEZNQCLSA-N 1 2 338.382 3.187 20 30 EGEDLO N#Cc1ccc(-c2cccc(CNC(=O)CCn3cc[nH+]c3)c2)s1 ZINC000739598295 576433603 /nfs/dbraw/zinc/43/36/03/576433603.db2.gz HLMRJBBGMMQXNR-UHFFFAOYSA-N 1 2 336.420 3.190 20 30 EGEDLO C#CCOc1cc(F)ccc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000741639346 576707175 /nfs/dbraw/zinc/70/71/75/576707175.db2.gz VBJILXOWJCFQEF-UHFFFAOYSA-N 1 2 335.338 3.276 20 30 EGEDLO C#CC[NH+]1CCN(C(=O)C2(Cc3cccc(Cl)c3)CCCC2)CC1 ZINC000741691509 576711401 /nfs/dbraw/zinc/71/14/01/576711401.db2.gz MUOBTLNILJVGBK-UHFFFAOYSA-N 1 2 344.886 3.220 20 30 EGEDLO C#CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccccc1)Cc1ccc(F)cc1 ZINC000744211249 576823158 /nfs/dbraw/zinc/82/31/58/576823158.db2.gz GRQSLKNJGSFJCK-QGZVFWFLSA-N 1 2 338.426 3.481 20 30 EGEDLO C#CC[N@H+](CC(=O)N(C)[C@H](C)c1ccccc1)Cc1ccc(F)cc1 ZINC000744211249 576823159 /nfs/dbraw/zinc/82/31/59/576823159.db2.gz GRQSLKNJGSFJCK-QGZVFWFLSA-N 1 2 338.426 3.481 20 30 EGEDLO C#CCC[NH+]1CCN(C(=O)c2cc3c(cccc3Cl)s2)CC1 ZINC000744371362 576826634 /nfs/dbraw/zinc/82/66/34/576826634.db2.gz VSLPPBWOHPCERQ-UHFFFAOYSA-N 1 2 332.856 3.336 20 30 EGEDLO C=CC1CC[NH+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000111256795 1293102221 /nfs/dbraw/zinc/10/22/21/1293102221.db2.gz SGSTUEOHOATRAW-LLVKDONJSA-N 1 2 337.807 3.473 20 30 EGEDLO NC(Cc1ccccc1Cl)=[NH+]OCc1nc(-c2ccsc2)no1 ZINC000112969231 1293137610 /nfs/dbraw/zinc/13/76/10/1293137610.db2.gz PGQUTIRSTJETHS-UHFFFAOYSA-N 1 2 348.815 3.483 20 30 EGEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000113249037 1293145457 /nfs/dbraw/zinc/14/54/57/1293145457.db2.gz HUIBVZLDCHNYIN-NSHDSACASA-N 1 2 347.802 3.013 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+]2CC[C@H](CC)C2)c1=S ZINC000119573959 1293278741 /nfs/dbraw/zinc/27/87/41/1293278741.db2.gz FBLXLVLASLIZTE-AWEZNQCLSA-N 1 2 329.473 3.351 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2CC[C@H](CC)C2)c1=S ZINC000119573959 1293278745 /nfs/dbraw/zinc/27/87/45/1293278745.db2.gz FBLXLVLASLIZTE-AWEZNQCLSA-N 1 2 329.473 3.351 20 30 EGEDLO COc1cc(C(=O)/C=C/c2c[nH+]c3ccccn23)cc(OC)c1OC ZINC000133159390 1293738074 /nfs/dbraw/zinc/73/80/74/1293738074.db2.gz XTGGQECATQHKHW-BQYQJAHWSA-N 1 2 338.363 3.256 20 30 EGEDLO CC1(C)C(=O)Nc2ccc(C(=O)/C=C/c3c[nH+]c4ccccn34)cc21 ZINC000164995278 1294354476 /nfs/dbraw/zinc/35/44/76/1294354476.db2.gz YFCLKRYFRNILCZ-VQHVLOKHSA-N 1 2 331.375 3.460 20 30 EGEDLO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2sccc2C#N)CC1 ZINC000870125659 1295683729 /nfs/dbraw/zinc/68/37/29/1295683729.db2.gz OGYHDRWQMHMCAQ-CQSZACIVSA-N 1 2 325.437 3.139 20 30 EGEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCN(CC(F)(F)F)[C@H](C)C2)cc1 ZINC000246895825 1296374204 /nfs/dbraw/zinc/37/42/04/1296374204.db2.gz UEVLMWWJUPSUOP-ZIAGYGMSSA-N 1 2 341.377 3.046 20 30 EGEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCN(CC(F)(F)F)[C@H](C)C2)cc1 ZINC000246895825 1296374218 /nfs/dbraw/zinc/37/42/18/1296374218.db2.gz UEVLMWWJUPSUOP-ZIAGYGMSSA-N 1 2 341.377 3.046 20 30 EGEDLO COc1cc(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)c(OC)cc1O ZINC000255064562 1296493596 /nfs/dbraw/zinc/49/35/96/1296493596.db2.gz ONPJRRQDEUHASL-SREVYHEPSA-N 1 2 338.363 3.262 20 30 EGEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1csc2cncn21 ZINC000329687538 1297262658 /nfs/dbraw/zinc/26/26/58/1297262658.db2.gz AOVGLYMXOFGKIE-UHFFFAOYSA-N 1 2 347.469 3.475 20 30 EGEDLO C=CCCOCCCCC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874891544 1298150049 /nfs/dbraw/zinc/15/00/49/1298150049.db2.gz NYUVBURILYDOSZ-GOSISDBHSA-N 1 2 334.435 3.062 20 30 EGEDLO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)c2ccccc2C1=O ZINC000746055808 1298519203 /nfs/dbraw/zinc/51/92/03/1298519203.db2.gz GNXLYMSMLVLNTJ-UHFFFAOYSA-N 1 2 347.418 3.270 20 30 EGEDLO CC(C)C[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)c2ccccc2C1=O ZINC000746055808 1298519208 /nfs/dbraw/zinc/51/92/08/1298519208.db2.gz GNXLYMSMLVLNTJ-UHFFFAOYSA-N 1 2 347.418 3.270 20 30 EGEDLO C=CC[C@H](NC(=O)NCCc1cn2cccc(C)c2[nH+]1)c1ccncc1 ZINC000746767680 1298657732 /nfs/dbraw/zinc/65/77/32/1298657732.db2.gz ZHVBIRSFNOFLOE-SFHVURJKSA-N 1 2 349.438 3.197 20 30 EGEDLO C#C[C@H](CC)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000754374703 1300131986 /nfs/dbraw/zinc/13/19/86/1300131986.db2.gz PSKURKGEGUEAOI-HZPDHXFCSA-N 1 2 349.272 3.114 20 30 EGEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3ccc4c(c3)CCC(=O)N4C)n21 ZINC000754689721 1300192269 /nfs/dbraw/zinc/19/22/69/1300192269.db2.gz MPCITQPBTKBCDT-CSKARUKUSA-N 1 2 345.402 3.448 20 30 EGEDLO C/C(=C\c1ccccc1)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000758036778 1300776195 /nfs/dbraw/zinc/77/61/95/1300776195.db2.gz VPJNNAFMKBTAEN-SVEZXWBTSA-N 1 2 341.455 3.439 20 30 EGEDLO CC(=[NH+]NC(=S)NCCc1cccs1)c1ccc(N)cc1C ZINC000758097619 1300784187 /nfs/dbraw/zinc/78/41/87/1300784187.db2.gz FDTOJGOFEWKNSE-UHFFFAOYSA-N 1 2 332.498 3.070 20 30 EGEDLO C#CCOc1cccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000764506671 1302077476 /nfs/dbraw/zinc/07/74/76/1302077476.db2.gz ZMMPCXPVFUHXHX-UHFFFAOYSA-N 1 2 345.402 3.125 20 30 EGEDLO FC(F)(F)COCCN[NH+]=Cc1c(Cl)cccc1N1CCCC1 ZINC000765594178 1302287436 /nfs/dbraw/zinc/28/74/36/1302287436.db2.gz QWCUEFYPMUUBKL-UHFFFAOYSA-N 1 2 349.784 3.443 20 30 EGEDLO COc1ccc([C@H]2CCC[N@@H+]2Cn2cc3c(c(C#N)c2=O)CCC3)cc1 ZINC000766611079 1302487748 /nfs/dbraw/zinc/48/77/48/1302487748.db2.gz BVSRGYOKZXCTFH-HXUWFJFHSA-N 1 2 349.434 3.012 20 30 EGEDLO COc1ccc([C@H]2CCC[N@H+]2Cn2cc3c(c(C#N)c2=O)CCC3)cc1 ZINC000766611079 1302487754 /nfs/dbraw/zinc/48/77/54/1302487754.db2.gz BVSRGYOKZXCTFH-HXUWFJFHSA-N 1 2 349.434 3.012 20 30 EGEDLO N#Cc1c2c(cn(C[NH+]3CCC(c4ccsc4)CC3)c1=O)CCC2 ZINC000766635013 1302493406 /nfs/dbraw/zinc/49/34/06/1302493406.db2.gz UFGBKURLJUUMHA-UHFFFAOYSA-N 1 2 339.464 3.107 20 30 EGEDLO N#Cc1c2c(cn(C[N@@H+]3CCC[C@H]3/C=C/c3ccccc3)c1=O)CCC2 ZINC000766633190 1302493845 /nfs/dbraw/zinc/49/38/45/1302493845.db2.gz QAIHLJGWESXMOJ-CVTTXWKISA-N 1 2 345.446 3.344 20 30 EGEDLO N#Cc1c2c(cn(C[N@H+]3CCC[C@H]3/C=C/c3ccccc3)c1=O)CCC2 ZINC000766633190 1302493854 /nfs/dbraw/zinc/49/38/54/1302493854.db2.gz QAIHLJGWESXMOJ-CVTTXWKISA-N 1 2 345.446 3.344 20 30 EGEDLO COc1cc(C#N)ccc1CO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000766742836 1302509280 /nfs/dbraw/zinc/50/92/80/1302509280.db2.gz YRPCWTSXTUYDEN-UHFFFAOYSA-N 1 2 329.787 3.461 20 30 EGEDLO C[C@@H]1CC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C[C@H]1C ZINC000766984823 1302558369 /nfs/dbraw/zinc/55/83/69/1302558369.db2.gz MTZYHFVTYOSSKP-MGPQQGTHSA-N 1 2 327.453 3.450 20 30 EGEDLO C[C@@H]1CC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C[C@H]1C ZINC000766984823 1302558375 /nfs/dbraw/zinc/55/83/75/1302558375.db2.gz MTZYHFVTYOSSKP-MGPQQGTHSA-N 1 2 327.453 3.450 20 30 EGEDLO N#Cc1ccc(C2=CCN(C(=O)c3cccc4[nH+]ccn43)CC2)cc1 ZINC000767985043 1302799334 /nfs/dbraw/zinc/79/93/34/1302799334.db2.gz XKUQNLMNHNUACD-UHFFFAOYSA-N 1 2 328.375 3.135 20 30 EGEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccccc1OCCOC ZINC000769145660 1303056496 /nfs/dbraw/zinc/05/64/96/1303056496.db2.gz MFEDQHHZTWTMKS-UHFFFAOYSA-N 1 2 327.399 3.486 20 30 EGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1OCCOC ZINC000769145660 1303056502 /nfs/dbraw/zinc/05/65/02/1303056502.db2.gz MFEDQHHZTWTMKS-UHFFFAOYSA-N 1 2 327.399 3.486 20 30 EGEDLO CCOc1ccc(N(CCC#N)C(=O)c2cccc3[nH+]ccn32)cc1 ZINC000770418601 1303266204 /nfs/dbraw/zinc/26/62/04/1303266204.db2.gz RKPRSHFCJGOBAQ-UHFFFAOYSA-N 1 2 334.379 3.293 20 30 EGEDLO C#C[C@H]([NH2+]Cc1csc(-c2cccc(OC)c2)n1)[C@H]1CCCO1 ZINC000775789120 1304038076 /nfs/dbraw/zinc/03/80/76/1304038076.db2.gz AUMDIJPQBJYOQZ-DLBZAZTESA-N 1 2 328.437 3.089 20 30 EGEDLO C[C@@H]1CC[N@H+](Cc2ccccc2)CC1=NNc1cnnc(O)c1Cl ZINC000776186075 1304108187 /nfs/dbraw/zinc/10/81/87/1304108187.db2.gz QESMPHPABALSDC-GFCCVEGCSA-N 1 2 345.834 3.146 20 30 EGEDLO C[C@@H]1CC[N@@H+](Cc2ccccc2)CC1=NNc1cnnc(O)c1Cl ZINC000776186075 1304108192 /nfs/dbraw/zinc/10/81/92/1304108192.db2.gz QESMPHPABALSDC-GFCCVEGCSA-N 1 2 345.834 3.146 20 30 EGEDLO Fc1cccc(Cl)c1C[NH+]1CCC(N=N[C@H]2CCCOC2)CC1 ZINC000780260802 1304666901 /nfs/dbraw/zinc/66/69/01/1304666901.db2.gz IRXCOKWMLARDIE-AWEZNQCLSA-N 1 2 339.842 3.200 20 30 EGEDLO CCc1noc(C)c1CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782947625 1305027715 /nfs/dbraw/zinc/02/77/15/1305027715.db2.gz DMZGIXIJXRPRAB-UHFFFAOYSA-N 1 2 338.205 3.145 20 30 EGEDLO O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000790578672 1306356410 /nfs/dbraw/zinc/35/64/10/1306356410.db2.gz HOAKSEPIHYTKTQ-CQSZACIVSA-N 1 2 347.340 3.186 20 30 EGEDLO C[C@@H](C#N)Oc1ccc(C[N@H+](CCO)Cc2cccnc2Cl)cc1 ZINC000793365836 1309354483 /nfs/dbraw/zinc/35/44/83/1309354483.db2.gz KZODJUALHVLFAD-AWEZNQCLSA-N 1 2 345.830 3.020 20 30 EGEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+](CCO)Cc2cccnc2Cl)cc1 ZINC000793365836 1309354494 /nfs/dbraw/zinc/35/44/94/1309354494.db2.gz KZODJUALHVLFAD-AWEZNQCLSA-N 1 2 345.830 3.020 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cscn1 ZINC000960648097 1318770195 /nfs/dbraw/zinc/77/01/95/1318770195.db2.gz KJNAYICLXGZJJY-AWEZNQCLSA-N 1 2 341.908 3.345 20 30 EGEDLO Cn1c(CC#N)nn(C[N@@H+]2CCC[C@H]2CCC2CCCC2)c1=S ZINC000794633282 1309560941 /nfs/dbraw/zinc/56/09/41/1309560941.db2.gz LVUWKUHNFVRHAU-HNNXBMFYSA-N 1 2 333.505 3.409 20 30 EGEDLO Cn1c(CC#N)nn(C[N@H+]2CCC[C@H]2CCC2CCCC2)c1=S ZINC000794633282 1309560949 /nfs/dbraw/zinc/56/09/49/1309560949.db2.gz LVUWKUHNFVRHAU-HNNXBMFYSA-N 1 2 333.505 3.409 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccccc1)CN1C(=O)N[C@@H](CCCC)C1=O ZINC000794650041 1309563829 /nfs/dbraw/zinc/56/38/29/1309563829.db2.gz GQBSAEFFXNVUHC-KRWDZBQOSA-N 1 2 329.444 3.133 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccccc1)CN1C(=O)N[C@@H](CCCC)C1=O ZINC000794650041 1309563835 /nfs/dbraw/zinc/56/38/35/1309563835.db2.gz GQBSAEFFXNVUHC-KRWDZBQOSA-N 1 2 329.444 3.133 20 30 EGEDLO C[C@H](C#N)OCC[N@@H+]1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000795069964 1309661876 /nfs/dbraw/zinc/66/18/76/1309661876.db2.gz UAJRNDLNKBTTLJ-IOASZLSFSA-N 1 2 342.361 3.396 20 30 EGEDLO C[C@H](C#N)OCC[N@H+]1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000795069964 1309661882 /nfs/dbraw/zinc/66/18/82/1309661882.db2.gz UAJRNDLNKBTTLJ-IOASZLSFSA-N 1 2 342.361 3.396 20 30 EGEDLO C#CCCCC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000797699493 1310233326 /nfs/dbraw/zinc/23/33/26/1310233326.db2.gz AWJRCZBZUYYEGJ-UHFFFAOYSA-N 1 2 329.831 3.369 20 30 EGEDLO Cc1ccc(NC(=O)NCc2ccc(C#N)c(Cl)c2)c(N(C)C)[nH+]1 ZINC000801639788 1310976790 /nfs/dbraw/zinc/97/67/90/1310976790.db2.gz CFYCBXYSBOXQIO-UHFFFAOYSA-N 1 2 343.818 3.303 20 30 EGEDLO CC(=[NH+]Nc1[nH]cnc2ncnc1-2)c1ccc(N2CCCCC2)cc1 ZINC000917553990 1319833477 /nfs/dbraw/zinc/83/34/77/1319833477.db2.gz BCNROJDGORMNNQ-UHFFFAOYSA-N 1 2 335.415 3.179 20 30 EGEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(Br)c(O)c(Br)c1 ZINC000825710457 1320357420 /nfs/dbraw/zinc/35/74/20/1320357420.db2.gz QEYLIWFISZQJMS-MRVPVSSYSA-N 1 2 347.050 3.371 20 30 EGEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(Br)c(O)c(Br)c1 ZINC000825710457 1320357423 /nfs/dbraw/zinc/35/74/23/1320357423.db2.gz QEYLIWFISZQJMS-MRVPVSSYSA-N 1 2 347.050 3.371 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccccc2OCC(C)C)C1 ZINC000956962643 1317102230 /nfs/dbraw/zinc/10/22/30/1317102230.db2.gz DUEFLOMQJPOIHM-UHFFFAOYSA-N 1 2 330.472 3.444 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(C)n(CC3CC3)c2C)C1 ZINC000957278705 1317257089 /nfs/dbraw/zinc/25/70/89/1317257089.db2.gz NJTARKHQTIASTI-UHFFFAOYSA-N 1 2 329.488 3.237 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000957316531 1317279232 /nfs/dbraw/zinc/27/92/32/1317279232.db2.gz UNPXCHMCRCCYJG-UHFFFAOYSA-N 1 2 325.239 3.163 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2c(Cl)cccc2Cl)C1 ZINC000957318547 1317280946 /nfs/dbraw/zinc/28/09/46/1317280946.db2.gz FKCLJLVPWFTFJM-UHFFFAOYSA-N 1 2 325.239 3.163 20 30 EGEDLO C#CCN(C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000929769625 1328694286 /nfs/dbraw/zinc/69/42/86/1328694286.db2.gz RIPONQNIYMQOLF-IAGOWNOFSA-N 1 2 343.471 3.171 20 30 EGEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1ccc(N2CCOCC2)cc1 ZINC000901417231 1317423392 /nfs/dbraw/zinc/42/33/92/1317423392.db2.gz IVPLEQOEWGJNME-BQYQJAHWSA-N 1 2 325.412 3.197 20 30 EGEDLO CCn1c[nH+]cc1/C=C\C(=O)c1ccc(N2CCOCC2)cc1Cl ZINC000901485195 1317434392 /nfs/dbraw/zinc/43/43/92/1317434392.db2.gz FPHNJZXOZXJYAD-XQRVVYSFSA-N 1 2 345.830 3.289 20 30 EGEDLO CC(C)n1cncc1/C=C1\COC/C(=C/c2c[nH+]cn2C(C)C)C1=O ZINC000901482533 1317434779 /nfs/dbraw/zinc/43/47/79/1317434779.db2.gz XZKVDEIQCQWOJX-OPCYYNASSA-N 1 2 340.427 3.308 20 30 EGEDLO CC(C)n1cncc1/C=C1/COC/C(=C\c2c[nH+]cn2C(C)C)C1=O ZINC000901482533 1317434782 /nfs/dbraw/zinc/43/47/82/1317434782.db2.gz XZKVDEIQCQWOJX-OPCYYNASSA-N 1 2 340.427 3.308 20 30 EGEDLO C#C[C@@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)c1ccc(Cl)cc1 ZINC000812352526 1318374035 /nfs/dbraw/zinc/37/40/35/1318374035.db2.gz QHJHQPGVQIUMAS-QGZVFWFLSA-N 1 2 337.810 3.329 20 30 EGEDLO C/C=C(\C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000960530740 1318648254 /nfs/dbraw/zinc/64/82/54/1318648254.db2.gz HGNAJNRVDIZDDU-UWUILNLYSA-N 1 2 329.419 3.086 20 30 EGEDLO C/C=C(\C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000960530740 1318648262 /nfs/dbraw/zinc/64/82/62/1318648262.db2.gz HGNAJNRVDIZDDU-UWUILNLYSA-N 1 2 329.419 3.086 20 30 EGEDLO CCc1ccc(C#CC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000814375655 1318731796 /nfs/dbraw/zinc/73/17/96/1318731796.db2.gz KGQLUBABQLLFSF-UHFFFAOYSA-N 1 2 338.476 3.006 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cscn1 ZINC000960648097 1318770191 /nfs/dbraw/zinc/77/01/91/1318770191.db2.gz KJNAYICLXGZJJY-AWEZNQCLSA-N 1 2 341.908 3.345 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)[C@H](C)c1nnc(CC)o1 ZINC000960785139 1318885066 /nfs/dbraw/zinc/88/50/66/1318885066.db2.gz DRASDUIBAGSPFV-HUUCEWRRSA-N 1 2 348.491 3.218 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)[C@H](C)c1nnc(CC)o1 ZINC000960785139 1318885075 /nfs/dbraw/zinc/88/50/75/1318885075.db2.gz DRASDUIBAGSPFV-HUUCEWRRSA-N 1 2 348.491 3.218 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccn(C(C)C)n1 ZINC000960786915 1318887448 /nfs/dbraw/zinc/88/74/48/1318887448.db2.gz GKKXQNJCNJGVLL-QGZVFWFLSA-N 1 2 332.492 3.099 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccn(C(C)C)n1 ZINC000960786915 1318887456 /nfs/dbraw/zinc/88/74/56/1318887456.db2.gz GKKXQNJCNJGVLL-QGZVFWFLSA-N 1 2 332.492 3.099 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nc(C)cs1 ZINC000960788282 1318889280 /nfs/dbraw/zinc/88/92/80/1318889280.db2.gz QPNWCSXOAKVSJB-HNNXBMFYSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1nc(C)cs1 ZINC000960788282 1318889287 /nfs/dbraw/zinc/88/92/87/1318889287.db2.gz QPNWCSXOAKVSJB-HNNXBMFYSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2snnc2C)CC1 ZINC000960829151 1318954795 /nfs/dbraw/zinc/95/47/95/1318954795.db2.gz GBGVJRLKWGZLDG-INIZCTEOSA-N 1 2 348.516 3.016 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2snnc2C)CC1 ZINC000960829151 1318954802 /nfs/dbraw/zinc/95/48/02/1318954802.db2.gz GBGVJRLKWGZLDG-INIZCTEOSA-N 1 2 348.516 3.016 20 30 EGEDLO C=CC[N@H+](CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)C(C)C ZINC000917481633 1319819175 /nfs/dbraw/zinc/81/91/75/1319819175.db2.gz SKFJQNZMRFKYAL-UHFFFAOYSA-N 1 2 327.211 3.443 20 30 EGEDLO C=CC[N@@H+](CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)C(C)C ZINC000917481633 1319819187 /nfs/dbraw/zinc/81/91/87/1319819187.db2.gz SKFJQNZMRFKYAL-UHFFFAOYSA-N 1 2 327.211 3.443 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NCCc1cccc([N+](=O)[O-])c1 ZINC000820680997 1319933412 /nfs/dbraw/zinc/93/34/12/1319933412.db2.gz GCSDMODMIXBTAA-UHFFFAOYSA-N 1 2 325.368 3.437 20 30 EGEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccccc2OCC(C)C)CC1 ZINC000824871942 1320293023 /nfs/dbraw/zinc/29/30/23/1320293023.db2.gz MJLIBQBDQANNFX-UHFFFAOYSA-N 1 2 330.428 3.000 20 30 EGEDLO COc1ccccc1[C@@H]([NH2+][C@H](C)CC(C)(C)C#N)c1nccn1C ZINC000924624157 1323080459 /nfs/dbraw/zinc/08/04/59/1323080459.db2.gz QVKFAFFZURHZMZ-RHSMWYFYSA-N 1 2 326.444 3.436 20 30 EGEDLO C#C[C@](C)(CC)[NH2+]Cc1nc(-c2cc(Br)cs2)no1 ZINC000852100104 1323145581 /nfs/dbraw/zinc/14/55/81/1323145581.db2.gz TXBZLBCOQGHXFH-CYBMUJFWSA-N 1 2 340.246 3.452 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000852319920 1323178948 /nfs/dbraw/zinc/17/89/48/1323178948.db2.gz TXFARAQXHOQMNS-QGZVFWFLSA-N 1 2 340.471 3.241 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000852319920 1323178954 /nfs/dbraw/zinc/17/89/54/1323178954.db2.gz TXFARAQXHOQMNS-QGZVFWFLSA-N 1 2 340.471 3.241 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001024326687 1323311325 /nfs/dbraw/zinc/31/13/25/1323311325.db2.gz NDJIJMMHQQYKCT-GJZGRUSLSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001024326687 1323311331 /nfs/dbraw/zinc/31/13/31/1323311331.db2.gz NDJIJMMHQQYKCT-GJZGRUSLSA-N 1 2 341.293 3.222 20 30 EGEDLO Cc1ccoc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001024331580 1323318734 /nfs/dbraw/zinc/31/87/34/1323318734.db2.gz LHKYDRHEFJGOOS-CQSZACIVSA-N 1 2 343.452 3.306 20 30 EGEDLO Cc1ccoc1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC001024331580 1323318738 /nfs/dbraw/zinc/31/87/38/1323318738.db2.gz LHKYDRHEFJGOOS-CQSZACIVSA-N 1 2 343.452 3.306 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@H]2CNC(=O)C2CC=CC2)c1 ZINC001024368092 1323342406 /nfs/dbraw/zinc/34/24/06/1323342406.db2.gz VENBXPUUWQRLRM-SFHVURJKSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@H]2CNC(=O)C2CC=CC2)c1 ZINC001024368092 1323342411 /nfs/dbraw/zinc/34/24/11/1323342411.db2.gz VENBXPUUWQRLRM-SFHVURJKSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1[nH]cnc1C(C)(C)C ZINC001024447529 1323407438 /nfs/dbraw/zinc/40/74/38/1323407438.db2.gz WUOHVOPEKYVFLZ-CYBMUJFWSA-N 1 2 338.883 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1[nH]cnc1C(C)(C)C ZINC001024447529 1323407443 /nfs/dbraw/zinc/40/74/43/1323407443.db2.gz WUOHVOPEKYVFLZ-CYBMUJFWSA-N 1 2 338.883 3.044 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001024666786 1323580958 /nfs/dbraw/zinc/58/09/58/1323580958.db2.gz VWFSOALHBSVSHS-BPQIPLTHSA-N 1 2 343.446 3.214 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001024666786 1323580963 /nfs/dbraw/zinc/58/09/63/1323580963.db2.gz VWFSOALHBSVSHS-BPQIPLTHSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001024683931 1323598476 /nfs/dbraw/zinc/59/84/76/1323598476.db2.gz QZXGJZFEZSFLPI-KGLIPLIRSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001024683931 1323598483 /nfs/dbraw/zinc/59/84/83/1323598483.db2.gz QZXGJZFEZSFLPI-KGLIPLIRSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cncc(Cl)c1 ZINC001024712438 1323620605 /nfs/dbraw/zinc/62/06/05/1323620605.db2.gz XWUUJWSMNGJZKI-AWEZNQCLSA-N 1 2 328.243 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cncc(Cl)c1 ZINC001024712438 1323620608 /nfs/dbraw/zinc/62/06/08/1323620608.db2.gz XWUUJWSMNGJZKI-AWEZNQCLSA-N 1 2 328.243 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(N(C)C)cc1 ZINC001024780638 1323684075 /nfs/dbraw/zinc/68/40/75/1323684075.db2.gz ZSDFPUVFIHLUSC-KRWDZBQOSA-N 1 2 335.879 3.089 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(N(C)C)cc1 ZINC001024780638 1323684082 /nfs/dbraw/zinc/68/40/82/1323684082.db2.gz ZSDFPUVFIHLUSC-KRWDZBQOSA-N 1 2 335.879 3.089 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nnc(C2CC2)o1 ZINC001025037670 1323840246 /nfs/dbraw/zinc/84/02/46/1323840246.db2.gz KRESOSFXVKHUHX-OAHLLOKOSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nc(C(C)C)no1 ZINC001025070315 1323872637 /nfs/dbraw/zinc/87/26/37/1323872637.db2.gz XRMWIGJCTDFAMR-BEFAXECRSA-N 1 2 348.491 3.266 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCCC[C@H]2C[NH2+]Cc2nc(C(C)C)no2)C1 ZINC001025074090 1323874852 /nfs/dbraw/zinc/87/48/52/1323874852.db2.gz DHFAEOQLKLOELC-HNNXBMFYSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(=O)C(C)(C)C ZINC001025213528 1324002128 /nfs/dbraw/zinc/00/21/28/1324002128.db2.gz MFHPTIYTPPWRQX-HUUCEWRRSA-N 1 2 340.895 3.200 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(=O)C(C)(C)C ZINC001025213528 1324002135 /nfs/dbraw/zinc/00/21/35/1324002135.db2.gz MFHPTIYTPPWRQX-HUUCEWRRSA-N 1 2 340.895 3.200 20 30 EGEDLO C=CC[N@H+](CN1C[C@H](c2cccc(Cl)c2)CC1=O)[C@@H](C)COC ZINC000853533699 1325117713 /nfs/dbraw/zinc/11/77/13/1325117713.db2.gz AOBVAXXDTZDAQN-GOEBONIOSA-N 1 2 336.863 3.136 20 30 EGEDLO C=CC[N@@H+](CN1C[C@H](c2cccc(Cl)c2)CC1=O)[C@@H](C)COC ZINC000853533699 1325117721 /nfs/dbraw/zinc/11/77/21/1325117721.db2.gz AOBVAXXDTZDAQN-GOEBONIOSA-N 1 2 336.863 3.136 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC001027289961 1325422947 /nfs/dbraw/zinc/42/29/47/1325422947.db2.gz MLCXIFBJZDFMCI-CABCVRRESA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC001027289961 1325422952 /nfs/dbraw/zinc/42/29/52/1325422952.db2.gz MLCXIFBJZDFMCI-CABCVRRESA-N 1 2 341.293 3.174 20 30 EGEDLO C[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1ccsc1 ZINC000964936146 1327781756 /nfs/dbraw/zinc/78/17/56/1327781756.db2.gz NNLYQCPBIYVBNC-RDTXWAMCSA-N 1 2 339.464 3.260 20 30 EGEDLO C[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1ccsc1 ZINC000964936146 1327781763 /nfs/dbraw/zinc/78/17/63/1327781763.db2.gz NNLYQCPBIYVBNC-RDTXWAMCSA-N 1 2 339.464 3.260 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2nc(C)oc2C)C1 ZINC001027519759 1327792135 /nfs/dbraw/zinc/79/21/35/1327792135.db2.gz VOFLFKSGZNGTHW-MRXNPFEDSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2nc(C)oc2C)C1 ZINC001027519759 1327792137 /nfs/dbraw/zinc/79/21/37/1327792137.db2.gz VOFLFKSGZNGTHW-MRXNPFEDSA-N 1 2 333.476 3.317 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2csc(CC)n2)C1 ZINC001027522225 1327795579 /nfs/dbraw/zinc/79/55/79/1327795579.db2.gz USSPIOVUVYTVAZ-HNNXBMFYSA-N 1 2 335.517 3.341 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([N@H+](C)Cc2csc(CC)n2)C1 ZINC001027522225 1327795585 /nfs/dbraw/zinc/79/55/85/1327795585.db2.gz USSPIOVUVYTVAZ-HNNXBMFYSA-N 1 2 335.517 3.341 20 30 EGEDLO N#CC1(CC(=O)N2CCC(Nc3cccc[nH+]3)CC2)CCCCC1 ZINC000927074140 1327844890 /nfs/dbraw/zinc/84/48/90/1327844890.db2.gz BYIPQNQFPUTPJU-UHFFFAOYSA-N 1 2 326.444 3.349 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@@H+](C)[C@@H](C)c3ncccn3)C2)CC1 ZINC001027559341 1327870829 /nfs/dbraw/zinc/87/08/29/1327870829.db2.gz VLQNGTWDSIGQCL-WMZOPIPTSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@H+](C)[C@@H](C)c3ncccn3)C2)CC1 ZINC001027559341 1327870835 /nfs/dbraw/zinc/87/08/35/1327870835.db2.gz VLQNGTWDSIGQCL-WMZOPIPTSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]([N@H+](C)Cc2csc(C)n2)C1 ZINC001027560011 1327874811 /nfs/dbraw/zinc/87/48/11/1327874811.db2.gz NIFOTGOPXQNFER-FUHWJXTLSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]([N@@H+](C)Cc2csc(C)n2)C1 ZINC001027560011 1327874815 /nfs/dbraw/zinc/87/48/15/1327874815.db2.gz NIFOTGOPXQNFER-FUHWJXTLSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)C2(C(C)C)CC2)C1 ZINC001027566182 1327893024 /nfs/dbraw/zinc/89/30/24/1327893024.db2.gz HHWMLJCRKHOSJU-AWEZNQCLSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)C2(C(C)C)CC2)C1 ZINC001027566182 1327893029 /nfs/dbraw/zinc/89/30/29/1327893029.db2.gz HHWMLJCRKHOSJU-AWEZNQCLSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@H+](C)Cc3nc(C)oc3C)C2)C1 ZINC001027566027 1327893959 /nfs/dbraw/zinc/89/39/59/1327893959.db2.gz FAJXYEDIXSBDTI-MRXNPFEDSA-N 1 2 331.460 3.071 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3nc(C)oc3C)C2)C1 ZINC001027566027 1327893966 /nfs/dbraw/zinc/89/39/66/1327893966.db2.gz FAJXYEDIXSBDTI-MRXNPFEDSA-N 1 2 331.460 3.071 20 30 EGEDLO CC(C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)CC[C@@H]1C ZINC000965248111 1327952993 /nfs/dbraw/zinc/95/29/93/1327952993.db2.gz RFITXQVBSHWYKK-MAUKXSAKSA-N 1 2 332.875 3.174 20 30 EGEDLO CC(C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)CC[C@@H]1C ZINC000965248111 1327953004 /nfs/dbraw/zinc/95/30/04/1327953004.db2.gz RFITXQVBSHWYKK-MAUKXSAKSA-N 1 2 332.875 3.174 20 30 EGEDLO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1)c1ccco1 ZINC001027720564 1328136008 /nfs/dbraw/zinc/13/60/08/1328136008.db2.gz SNOHKGZIINJTEN-KRWDZBQOSA-N 1 2 342.826 3.179 20 30 EGEDLO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1)c1ccco1 ZINC001027720564 1328136009 /nfs/dbraw/zinc/13/60/09/1328136009.db2.gz SNOHKGZIINJTEN-KRWDZBQOSA-N 1 2 342.826 3.179 20 30 EGEDLO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1)c1cccs1 ZINC001027734105 1328159874 /nfs/dbraw/zinc/15/98/74/1328159874.db2.gz QSPBIPAVRNTPCF-QGZVFWFLSA-N 1 2 342.439 3.133 20 30 EGEDLO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1)c1cccs1 ZINC001027734105 1328159877 /nfs/dbraw/zinc/15/98/77/1328159877.db2.gz QSPBIPAVRNTPCF-QGZVFWFLSA-N 1 2 342.439 3.133 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1nsc2ccccc21 ZINC001027903076 1328371943 /nfs/dbraw/zinc/37/19/43/1328371943.db2.gz ASBBKOZBWVESRW-GFCCVEGCSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1nsc2ccccc21 ZINC001027903076 1328371949 /nfs/dbraw/zinc/37/19/49/1328371949.db2.gz ASBBKOZBWVESRW-GFCCVEGCSA-N 1 2 335.860 3.243 20 30 EGEDLO C=CCOc1ccccc1C(=O)NC[C@H]1CCC[N@H+]1CC(=C)Cl ZINC001027976836 1328452766 /nfs/dbraw/zinc/45/27/66/1328452766.db2.gz HQRQDPPZVSSIAR-OAHLLOKOSA-N 1 2 334.847 3.198 20 30 EGEDLO C=CCOc1ccccc1C(=O)NC[C@H]1CCC[N@@H+]1CC(=C)Cl ZINC001027976836 1328452771 /nfs/dbraw/zinc/45/27/71/1328452771.db2.gz HQRQDPPZVSSIAR-OAHLLOKOSA-N 1 2 334.847 3.198 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000933555024 1329900403 /nfs/dbraw/zinc/90/04/03/1329900403.db2.gz AVZGTBFVNXDBDG-INIZCTEOSA-N 1 2 329.488 3.440 20 30 EGEDLO C#Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000934938015 1330018763 /nfs/dbraw/zinc/01/87/63/1330018763.db2.gz VIRBDHHFMHSATL-UHFFFAOYSA-N 1 2 334.423 3.375 20 30 EGEDLO CC(=O)N1CCN(c2ccc([NH2+]C3CCC(C)(C#N)CC3)cc2)CC1 ZINC000866626859 1330134845 /nfs/dbraw/zinc/13/48/45/1330134845.db2.gz QCEUOEOJYIWBMK-UHFFFAOYSA-N 1 2 340.471 3.239 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)C2CC=CC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947152976 1333025035 /nfs/dbraw/zinc/02/50/35/1333025035.db2.gz PMNDFOUKBCWYRU-AUUYWEPGSA-N 1 2 341.430 3.133 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)C2CC=CC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947152976 1333025037 /nfs/dbraw/zinc/02/50/37/1333025037.db2.gz PMNDFOUKBCWYRU-AUUYWEPGSA-N 1 2 341.430 3.133 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)C2(C)CC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC000947327852 1333090045 /nfs/dbraw/zinc/09/00/45/1333090045.db2.gz KBYPASMXZVUPEH-WBVHZDCISA-N 1 2 344.886 3.461 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)C2(C)CC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC000947327852 1333090048 /nfs/dbraw/zinc/09/00/48/1333090048.db2.gz KBYPASMXZVUPEH-WBVHZDCISA-N 1 2 344.886 3.461 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nccc(C)n3)[C@@H](C)C2)CC1 ZINC000947688718 1333224381 /nfs/dbraw/zinc/22/43/81/1333224381.db2.gz DYNRAWZFORTHEO-WMZOPIPTSA-N 1 2 342.487 3.001 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nccc(C)n3)[C@@H](C)C2)CC1 ZINC000947688718 1333224385 /nfs/dbraw/zinc/22/43/85/1333224385.db2.gz DYNRAWZFORTHEO-WMZOPIPTSA-N 1 2 342.487 3.001 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](N(C)C(=O)c2cc(CCC)[nH]n2)CC1 ZINC000948665189 1333620202 /nfs/dbraw/zinc/62/02/02/1333620202.db2.gz GVEGEVCFBLFSJT-OAHLLOKOSA-N 1 2 338.883 3.041 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2cc(CCC)[nH]n2)CC1 ZINC000948665189 1333620204 /nfs/dbraw/zinc/62/02/04/1333620204.db2.gz GVEGEVCFBLFSJT-OAHLLOKOSA-N 1 2 338.883 3.041 20 30 EGEDLO C=CCn1cccc1C(=O)N1CC[NH+](Cc2cc(C)sc2C)CC1 ZINC000948765064 1333668327 /nfs/dbraw/zinc/66/83/27/1333668327.db2.gz UJLQKMZEJIVTDS-UHFFFAOYSA-N 1 2 343.496 3.310 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C2CC2)no1 ZINC000948966420 1333750765 /nfs/dbraw/zinc/75/07/65/1333750765.db2.gz YWIUSYMIMCEOPB-SFHVURJKSA-N 1 2 337.423 3.067 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C2CC2)no1 ZINC000948966420 1333750768 /nfs/dbraw/zinc/75/07/68/1333750768.db2.gz YWIUSYMIMCEOPB-SFHVURJKSA-N 1 2 337.423 3.067 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1c(C)onc1CC ZINC000948982685 1333757515 /nfs/dbraw/zinc/75/75/15/1333757515.db2.gz PQQNDJAOLVVMEA-SFHVURJKSA-N 1 2 339.439 3.061 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1c(C)onc1CC ZINC000948982685 1333757518 /nfs/dbraw/zinc/75/75/18/1333757518.db2.gz PQQNDJAOLVVMEA-SFHVURJKSA-N 1 2 339.439 3.061 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(CC)cc1 ZINC000948983335 1333758739 /nfs/dbraw/zinc/75/87/39/1333758739.db2.gz ZOIGIDHXJHPBKX-NRFANRHFSA-N 1 2 332.447 3.211 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(CC)cc1 ZINC000948983335 1333758743 /nfs/dbraw/zinc/75/87/43/1333758743.db2.gz ZOIGIDHXJHPBKX-NRFANRHFSA-N 1 2 332.447 3.211 20 30 EGEDLO Cc1ccc(CCC(=O)N2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000949201027 1333794825 /nfs/dbraw/zinc/79/48/25/1333794825.db2.gz BEKYTQPANOADNQ-UHFFFAOYSA-N 1 2 347.462 3.144 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[NH+](CCOc2cc(C)ccc2C)CC1 ZINC000949654516 1333890105 /nfs/dbraw/zinc/89/01/05/1333890105.db2.gz FHLOOSOWLWWMRT-UHFFFAOYSA-N 1 2 330.472 3.039 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccccc2CC(C)(C)C)C1 ZINC000950585392 1334092352 /nfs/dbraw/zinc/09/23/52/1334092352.db2.gz AWGFRJPSGBGSDV-UHFFFAOYSA-N 1 2 326.484 3.445 20 30 EGEDLO Cc1coc(C(=O)N[C@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C)c1 ZINC000967892205 1335825120 /nfs/dbraw/zinc/82/51/20/1335825120.db2.gz CFYMCGOUCHDNHD-HKUYNNGSSA-N 1 2 336.435 3.080 20 30 EGEDLO Cc1coc(C(=O)N[C@H]2C[N@H+](CC#Cc3ccccc3)CC[C@@H]2C)c1 ZINC000967892205 1335825122 /nfs/dbraw/zinc/82/51/22/1335825122.db2.gz CFYMCGOUCHDNHD-HKUYNNGSSA-N 1 2 336.435 3.080 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC000968354708 1335900007 /nfs/dbraw/zinc/90/00/07/1335900007.db2.gz VRRHXIYBKUSYMJ-FZMZJTMJSA-N 1 2 334.838 3.391 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC000968354708 1335900002 /nfs/dbraw/zinc/90/00/02/1335900002.db2.gz VRRHXIYBKUSYMJ-FZMZJTMJSA-N 1 2 334.838 3.391 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc3ccccn3c2)C1 ZINC000968381895 1335911309 /nfs/dbraw/zinc/91/13/09/1335911309.db2.gz GYDZCORWHZDVKY-SUMWQHHRSA-N 1 2 331.847 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc3ccccn3c2)C1 ZINC000968381895 1335911314 /nfs/dbraw/zinc/91/13/14/1335911314.db2.gz GYDZCORWHZDVKY-SUMWQHHRSA-N 1 2 331.847 3.132 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC000968517115 1335950323 /nfs/dbraw/zinc/95/03/23/1335950323.db2.gz IISKJTRQPYGDOF-SJCJKPOMSA-N 1 2 335.879 3.086 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC000968517115 1335950326 /nfs/dbraw/zinc/95/03/26/1335950326.db2.gz IISKJTRQPYGDOF-SJCJKPOMSA-N 1 2 335.879 3.086 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3ccccc3n2)C1 ZINC000968578949 1335969440 /nfs/dbraw/zinc/96/94/40/1335969440.db2.gz KHBCPTVENREYCW-UGSOOPFHSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3ccccc3n2)C1 ZINC000968578949 1335969445 /nfs/dbraw/zinc/96/94/45/1335969445.db2.gz KHBCPTVENREYCW-UGSOOPFHSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(Cl)cn2CC)C1 ZINC000968655171 1335998068 /nfs/dbraw/zinc/99/80/68/1335998068.db2.gz LZPUBZVAIHSFCC-SMDDNHRTSA-N 1 2 344.286 3.354 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(Cl)cn2CC)C1 ZINC000968655171 1335998071 /nfs/dbraw/zinc/99/80/71/1335998071.db2.gz LZPUBZVAIHSFCC-SMDDNHRTSA-N 1 2 344.286 3.354 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1nc(CC)oc1C ZINC000969064074 1336136461 /nfs/dbraw/zinc/13/64/61/1336136461.db2.gz BLKQIEJIPPCQOZ-CQSZACIVSA-N 1 2 339.867 3.272 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1nc(CC)oc1C ZINC000969064074 1336136463 /nfs/dbraw/zinc/13/64/63/1336136463.db2.gz BLKQIEJIPPCQOZ-CQSZACIVSA-N 1 2 339.867 3.272 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cc(Cl)no1 ZINC000969121466 1336150843 /nfs/dbraw/zinc/15/08/43/1336150843.db2.gz JGGWSCREBSVFJI-LLVKDONJSA-N 1 2 332.231 3.055 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1cc(Cl)no1 ZINC000969121466 1336150846 /nfs/dbraw/zinc/15/08/46/1336150846.db2.gz JGGWSCREBSVFJI-LLVKDONJSA-N 1 2 332.231 3.055 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@H](C)C2C[NH+](Cc3ccccc3C#N)C2)o1 ZINC000969465897 1336214856 /nfs/dbraw/zinc/21/48/56/1336214856.db2.gz IQENDOKQOSCNIA-OAHLLOKOSA-N 1 2 337.423 3.018 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cccc(OCCC)c2)C1 ZINC000969770545 1336246234 /nfs/dbraw/zinc/24/62/34/1336246234.db2.gz GMDLTMVKLGNVNK-AWEZNQCLSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ncoc2-c2ccccc2)C1 ZINC000969798560 1336248477 /nfs/dbraw/zinc/24/84/77/1336248477.db2.gz SMTPWUHMRQLCJL-CYBMUJFWSA-N 1 2 345.830 3.144 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(Cl)cc2F)C1 ZINC000970094525 1336279544 /nfs/dbraw/zinc/27/95/44/1336279544.db2.gz VOGUTNIAVJFTDQ-SNVBAGLBSA-N 1 2 331.218 3.282 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC000970559475 1336321612 /nfs/dbraw/zinc/32/16/12/1336321612.db2.gz YGHVRPUFZORBEW-BPLDGKMQSA-N 1 2 338.904 3.349 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC000970567108 1336322326 /nfs/dbraw/zinc/32/23/26/1336322326.db2.gz OGFCKHJBHGBSRM-JCGIZDLHSA-N 1 2 332.875 3.288 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@]2(C)C=CCC2)CC1 ZINC001005839340 1336407035 /nfs/dbraw/zinc/40/70/35/1336407035.db2.gz BPWSKCNVPROHPH-INIZCTEOSA-N 1 2 341.293 3.174 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccsc3)C2)c(F)c1 ZINC001006674732 1336554076 /nfs/dbraw/zinc/55/40/76/1336554076.db2.gz BDIGOAHEDYWTHA-MRXNPFEDSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccsc3)C2)c(F)c1 ZINC001006674732 1336554080 /nfs/dbraw/zinc/55/40/80/1336554080.db2.gz BDIGOAHEDYWTHA-MRXNPFEDSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001007467931 1336652988 /nfs/dbraw/zinc/65/29/88/1336652988.db2.gz CFZINUXNUZDPBE-WMLDXEAASA-N 1 2 347.409 3.074 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001007467931 1336652990 /nfs/dbraw/zinc/65/29/90/1336652990.db2.gz CFZINUXNUZDPBE-WMLDXEAASA-N 1 2 347.409 3.074 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc([C@H]3CCOC3)c2)C1 ZINC001007701028 1336688729 /nfs/dbraw/zinc/68/87/29/1336688729.db2.gz XJSWNYGQEIBFFE-ZWKOTPCHSA-N 1 2 348.874 3.137 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccc([C@H]3CCOC3)c2)C1 ZINC001007701028 1336688730 /nfs/dbraw/zinc/68/87/30/1336688730.db2.gz XJSWNYGQEIBFFE-ZWKOTPCHSA-N 1 2 348.874 3.137 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cccc3ncccc23)C1 ZINC001007923555 1336733695 /nfs/dbraw/zinc/73/36/95/1336733695.db2.gz ZUSGIWGELDJRTP-MRXNPFEDSA-N 1 2 343.858 3.110 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2cccc3ncccc23)C1 ZINC001007923555 1336733699 /nfs/dbraw/zinc/73/36/99/1336733699.db2.gz ZUSGIWGELDJRTP-MRXNPFEDSA-N 1 2 343.858 3.110 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2cc(F)c(C)cc2F)C1 ZINC001008037477 1336755264 /nfs/dbraw/zinc/75/52/64/1336755264.db2.gz VQSUTWANDPSHAU-CQSZACIVSA-N 1 2 342.817 3.149 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cc(F)c(C)cc2F)C1 ZINC001008037477 1336755265 /nfs/dbraw/zinc/75/52/65/1336755265.db2.gz VQSUTWANDPSHAU-CQSZACIVSA-N 1 2 342.817 3.149 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3nc4ccccc4o3)C2)C1 ZINC001008438257 1336853228 /nfs/dbraw/zinc/85/32/28/1336853228.db2.gz VGTIOWVYPRLBJI-HNNXBMFYSA-N 1 2 339.439 3.265 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3nc4ccccc4o3)C2)C1 ZINC001008438257 1336853232 /nfs/dbraw/zinc/85/32/32/1336853232.db2.gz VGTIOWVYPRLBJI-HNNXBMFYSA-N 1 2 339.439 3.265 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3cccc(Cl)n3)C2)C1 ZINC001008438458 1336853442 /nfs/dbraw/zinc/85/34/42/1336853442.db2.gz ZAJVPVNIQDNPSD-OAHLLOKOSA-N 1 2 333.863 3.172 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3cccc(Cl)n3)C2)C1 ZINC001008438458 1336853446 /nfs/dbraw/zinc/85/34/46/1336853446.db2.gz ZAJVPVNIQDNPSD-OAHLLOKOSA-N 1 2 333.863 3.172 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3nc(C)sc3C)C2)C1 ZINC001008464670 1336863251 /nfs/dbraw/zinc/86/32/51/1336863251.db2.gz OMPGDNGRVWMMAI-OAHLLOKOSA-N 1 2 333.501 3.197 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3nc(C)sc3C)C2)C1 ZINC001008464670 1336863253 /nfs/dbraw/zinc/86/32/53/1336863253.db2.gz OMPGDNGRVWMMAI-OAHLLOKOSA-N 1 2 333.501 3.197 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC001009031564 1336957175 /nfs/dbraw/zinc/95/71/75/1336957175.db2.gz UFXIOCFKIACUEG-SFHVURJKSA-N 1 2 348.450 3.158 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC001009031564 1336957177 /nfs/dbraw/zinc/95/71/77/1336957177.db2.gz UFXIOCFKIACUEG-SFHVURJKSA-N 1 2 348.450 3.158 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cc(C)n(CC3CC3)c2C)C1 ZINC001009243306 1336989351 /nfs/dbraw/zinc/98/93/51/1336989351.db2.gz CCMLGPKJBVGKCG-KRWDZBQOSA-N 1 2 349.906 3.462 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cc(C)n(CC3CC3)c2C)C1 ZINC001009243306 1336989355 /nfs/dbraw/zinc/98/93/55/1336989355.db2.gz CCMLGPKJBVGKCG-KRWDZBQOSA-N 1 2 349.906 3.462 20 30 EGEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(cccc3F)s2)C1 ZINC001009456813 1337026853 /nfs/dbraw/zinc/02/68/53/1337026853.db2.gz HGXSAWLPENGIKZ-CYBMUJFWSA-N 1 2 330.428 3.258 20 30 EGEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3c(cccc3F)s2)C1 ZINC001009456813 1337026855 /nfs/dbraw/zinc/02/68/55/1337026855.db2.gz HGXSAWLPENGIKZ-CYBMUJFWSA-N 1 2 330.428 3.258 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)C3=CCCCCC3)C2)c1 ZINC001010738768 1337250195 /nfs/dbraw/zinc/25/01/95/1337250195.db2.gz CDDXPOIJYGUXRZ-SFHVURJKSA-N 1 2 341.430 3.278 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)C3=CCCCCC3)C2)c1 ZINC001010738768 1337250196 /nfs/dbraw/zinc/25/01/96/1337250196.db2.gz CDDXPOIJYGUXRZ-SFHVURJKSA-N 1 2 341.430 3.278 20 30 EGEDLO C[C@@]1(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)CC=CCC1 ZINC001014565231 1337826876 /nfs/dbraw/zinc/82/68/76/1337826876.db2.gz SMJFWQIRPGICEH-PZJWPPBQSA-N 1 2 340.442 3.114 20 30 EGEDLO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)CC=CCC1 ZINC001014565231 1337826878 /nfs/dbraw/zinc/82/68/78/1337826878.db2.gz SMJFWQIRPGICEH-PZJWPPBQSA-N 1 2 340.442 3.114 20 30 EGEDLO CC(C)(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1)C1CCCC1 ZINC001014750202 1337897259 /nfs/dbraw/zinc/89/72/59/1337897259.db2.gz VHGFVILQAVLRIK-LJQANCHMSA-N 1 2 339.483 3.465 20 30 EGEDLO CC(C)(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1)C1CCCC1 ZINC001014750202 1337897264 /nfs/dbraw/zinc/89/72/64/1337897264.db2.gz VHGFVILQAVLRIK-LJQANCHMSA-N 1 2 339.483 3.465 20 30 EGEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)C1(F)CCCC1 ZINC001015012213 1337986885 /nfs/dbraw/zinc/98/68/85/1337986885.db2.gz ZSQCAFXKPCXZGV-QGZVFWFLSA-N 1 2 348.849 3.164 20 30 EGEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)C1(F)CCCC1 ZINC001015012213 1337986886 /nfs/dbraw/zinc/98/68/86/1337986886.db2.gz ZSQCAFXKPCXZGV-QGZVFWFLSA-N 1 2 348.849 3.164 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C)c3cccnc23)C1 ZINC001015319486 1338099665 /nfs/dbraw/zinc/09/96/65/1338099665.db2.gz TYCNZPQMUKQYTK-CQSZACIVSA-N 1 2 329.831 3.100 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)c3cccnc23)C1 ZINC001015319486 1338099666 /nfs/dbraw/zinc/09/96/66/1338099666.db2.gz TYCNZPQMUKQYTK-CQSZACIVSA-N 1 2 329.831 3.100 20 30 EGEDLO CC1(C)CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001015556753 1338179145 /nfs/dbraw/zinc/17/91/45/1338179145.db2.gz LQDGPUOPNZONHR-IAGOWNOFSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001015556753 1338179148 /nfs/dbraw/zinc/17/91/48/1338179148.db2.gz LQDGPUOPNZONHR-IAGOWNOFSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)CCCCC1 ZINC001015650673 1338229848 /nfs/dbraw/zinc/22/98/48/1338229848.db2.gz VCAQEULHMVSAFN-SFHVURJKSA-N 1 2 325.456 3.219 20 30 EGEDLO CC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CCCCC1 ZINC001015650673 1338229853 /nfs/dbraw/zinc/22/98/53/1338229853.db2.gz VCAQEULHMVSAFN-SFHVURJKSA-N 1 2 325.456 3.219 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1)C1CCCC1 ZINC001015972613 1338385705 /nfs/dbraw/zinc/38/57/05/1338385705.db2.gz LYXBDUSABRXJLH-HNAYVOBHSA-N 1 2 325.456 3.075 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1)C1CCCC1 ZINC001015972613 1338385709 /nfs/dbraw/zinc/38/57/09/1338385709.db2.gz LYXBDUSABRXJLH-HNAYVOBHSA-N 1 2 325.456 3.075 20 30 EGEDLO CCc1oc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1C ZINC001015985444 1338393593 /nfs/dbraw/zinc/39/35/93/1338393593.db2.gz WBRCKBYIASOMNG-QGZVFWFLSA-N 1 2 337.423 3.026 20 30 EGEDLO CCc1oc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cc1C ZINC001015985444 1338393594 /nfs/dbraw/zinc/39/35/94/1338393594.db2.gz WBRCKBYIASOMNG-QGZVFWFLSA-N 1 2 337.423 3.026 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2C(F)(F)F)C1 ZINC001016057862 1338434794 /nfs/dbraw/zinc/43/47/94/1338434794.db2.gz VOJKZNBXXBBVCP-LLVKDONJSA-N 1 2 332.753 3.262 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C(F)(F)F)C1 ZINC001016057862 1338434795 /nfs/dbraw/zinc/43/47/95/1338434795.db2.gz VOJKZNBXXBBVCP-LLVKDONJSA-N 1 2 332.753 3.262 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)c2ccc(F)cc2F)C1 ZINC001016305257 1338540672 /nfs/dbraw/zinc/54/06/72/1338540672.db2.gz JTPACGJXHWISOT-DGCLKSJQSA-N 1 2 328.790 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)c2ccc(F)cc2F)C1 ZINC001016305257 1338540675 /nfs/dbraw/zinc/54/06/75/1338540675.db2.gz JTPACGJXHWISOT-DGCLKSJQSA-N 1 2 328.790 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC001016395543 1338589269 /nfs/dbraw/zinc/58/92/69/1338589269.db2.gz NMVGMBDIKHVHLO-HNNXBMFYSA-N 1 2 329.831 3.238 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC001016395543 1338589270 /nfs/dbraw/zinc/58/92/70/1338589270.db2.gz NMVGMBDIKHVHLO-HNNXBMFYSA-N 1 2 329.831 3.238 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C(F)F)c1F ZINC001017559837 1339368286 /nfs/dbraw/zinc/36/82/86/1339368286.db2.gz WFTZTFFQFHYWOU-BETUJISGSA-N 1 2 336.357 3.075 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C(F)F)c1F ZINC001017559837 1339368287 /nfs/dbraw/zinc/36/82/87/1339368287.db2.gz WFTZTFFQFHYWOU-BETUJISGSA-N 1 2 336.357 3.075 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001017725328 1339403342 /nfs/dbraw/zinc/40/33/42/1339403342.db2.gz AFMTXRPLIBKJJF-JSXRDJHFSA-N 1 2 336.479 3.269 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001017725328 1339403345 /nfs/dbraw/zinc/40/33/45/1339403345.db2.gz AFMTXRPLIBKJJF-JSXRDJHFSA-N 1 2 336.479 3.269 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2c1cccc2Cl ZINC001017738875 1339408144 /nfs/dbraw/zinc/40/81/44/1339408144.db2.gz ADGIQBICSHQAHJ-RVKKMQEKSA-N 1 2 342.870 3.068 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2c1cccc2Cl ZINC001017738875 1339408146 /nfs/dbraw/zinc/40/81/46/1339408146.db2.gz ADGIQBICSHQAHJ-RVKKMQEKSA-N 1 2 342.870 3.068 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OCC(C)C)cc1 ZINC001018240675 1339545579 /nfs/dbraw/zinc/54/55/79/1339545579.db2.gz MKBGFFVOUGCCIO-KDURUIRLSA-N 1 2 340.467 3.034 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OCC(C)C)cc1 ZINC001018240675 1339545582 /nfs/dbraw/zinc/54/55/82/1339545582.db2.gz MKBGFFVOUGCCIO-KDURUIRLSA-N 1 2 340.467 3.034 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc2ccccc2n1C ZINC001028103986 1340427312 /nfs/dbraw/zinc/42/73/12/1340427312.db2.gz ACOQRKFUGFOBSO-OAHLLOKOSA-N 1 2 331.847 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2ccccc2n1C ZINC001028103986 1340427313 /nfs/dbraw/zinc/42/73/13/1340427313.db2.gz ACOQRKFUGFOBSO-OAHLLOKOSA-N 1 2 331.847 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2ccccc2C1 ZINC001028164111 1340460911 /nfs/dbraw/zinc/46/09/11/1340460911.db2.gz HXHUYXSVQSQSNR-ZWKOTPCHSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2ccccc2C1 ZINC001028164111 1340460913 /nfs/dbraw/zinc/46/09/13/1340460913.db2.gz HXHUYXSVQSQSNR-ZWKOTPCHSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001028244798 1340507223 /nfs/dbraw/zinc/50/72/23/1340507223.db2.gz LGWOQUKBNAQODD-KGLIPLIRSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001028244798 1340507225 /nfs/dbraw/zinc/50/72/25/1340507225.db2.gz LGWOQUKBNAQODD-KGLIPLIRSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnn([C@@H](C)CC)c1C ZINC001028253314 1340514430 /nfs/dbraw/zinc/51/44/30/1340514430.db2.gz UJWSTWZVTDZTLS-DZGCQCFKSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn([C@@H](C)CC)c1C ZINC001028253314 1340514434 /nfs/dbraw/zinc/51/44/34/1340514434.db2.gz UJWSTWZVTDZTLS-DZGCQCFKSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(OCC2CC2)cc1 ZINC001028326703 1340566207 /nfs/dbraw/zinc/56/62/07/1340566207.db2.gz XNPNRGZBARFUJZ-KRWDZBQOSA-N 1 2 348.874 3.422 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(OCC2CC2)cc1 ZINC001028326703 1340566210 /nfs/dbraw/zinc/56/62/10/1340566210.db2.gz XNPNRGZBARFUJZ-KRWDZBQOSA-N 1 2 348.874 3.422 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cncc2ccccc21 ZINC001028333691 1340571564 /nfs/dbraw/zinc/57/15/64/1340571564.db2.gz NUONYBOGUGSEJX-HNNXBMFYSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cncc2ccccc21 ZINC001028333691 1340571565 /nfs/dbraw/zinc/57/15/65/1340571565.db2.gz NUONYBOGUGSEJX-HNNXBMFYSA-N 1 2 329.831 3.182 20 30 EGEDLO O=C([C@@H]1CCC[C@H]2C[C@H]21)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029368442 1340978507 /nfs/dbraw/zinc/97/85/07/1340978507.db2.gz HDXDLYYUVVELLU-VNXMGFANSA-N 1 2 348.490 3.150 20 30 EGEDLO O=C([C@@H]1CCC[C@H]2C[C@H]21)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029368442 1340978508 /nfs/dbraw/zinc/97/85/08/1340978508.db2.gz HDXDLYYUVVELLU-VNXMGFANSA-N 1 2 348.490 3.150 20 30 EGEDLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C#N)s2)CC=CC1 ZINC001029454383 1340993552 /nfs/dbraw/zinc/99/35/52/1340993552.db2.gz AWQXOPKZFYVKKP-GASCZTMLSA-N 1 2 341.480 3.151 20 30 EGEDLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)s2)CC=CC1 ZINC001029454383 1340993553 /nfs/dbraw/zinc/99/35/53/1340993553.db2.gz AWQXOPKZFYVKKP-GASCZTMLSA-N 1 2 341.480 3.151 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1cnc(C)cn1 ZINC001029454273 1340993796 /nfs/dbraw/zinc/99/37/96/1340993796.db2.gz XKCQWHHETXEIQN-PDOICOKGSA-N 1 2 342.487 3.124 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1cnc(C)cn1 ZINC001029454273 1340993798 /nfs/dbraw/zinc/99/37/98/1340993798.db2.gz XKCQWHHETXEIQN-PDOICOKGSA-N 1 2 342.487 3.124 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(C)ns2)CC1 ZINC001029457289 1340994570 /nfs/dbraw/zinc/99/45/70/1340994570.db2.gz JYVQXDPJJZWQGS-CALCHBBNSA-N 1 2 345.512 3.373 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cc(C)ns2)CC1 ZINC001029457289 1340994571 /nfs/dbraw/zinc/99/45/71/1340994571.db2.gz JYVQXDPJJZWQGS-CALCHBBNSA-N 1 2 345.512 3.373 20 30 EGEDLO CC(C)[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(F)cc1 ZINC001029499368 1341001293 /nfs/dbraw/zinc/00/12/93/1341001293.db2.gz GVCHFSMJDZJICZ-FFZOFVMBSA-N 1 2 342.458 3.145 20 30 EGEDLO CC(C)[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001029499368 1341001294 /nfs/dbraw/zinc/00/12/94/1341001294.db2.gz GVCHFSMJDZJICZ-FFZOFVMBSA-N 1 2 342.458 3.145 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc(OC)c(C(C)C)c2)C1 ZINC001031818621 1341405938 /nfs/dbraw/zinc/40/59/38/1341405938.db2.gz CXCXDSBXLDNQDS-UHFFFAOYSA-N 1 2 336.863 3.233 20 30 EGEDLO C[C@@H]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001031939475 1341426977 /nfs/dbraw/zinc/42/69/77/1341426977.db2.gz UMKXTJWYVNNJNR-RHSMWYFYSA-N 1 2 343.446 3.072 20 30 EGEDLO CC1(C)CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001031959845 1341432162 /nfs/dbraw/zinc/43/21/62/1341432162.db2.gz GMQKBMFMNXZEGP-INIZCTEOSA-N 1 2 343.446 3.072 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cccc(-c3ccoc3)c2)C1 ZINC001032111750 1341457572 /nfs/dbraw/zinc/45/75/72/1341457572.db2.gz OLLYHWRMOCFZKN-UHFFFAOYSA-N 1 2 330.815 3.361 20 30 EGEDLO CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1)C(C)(F)F ZINC001032755342 1341603777 /nfs/dbraw/zinc/60/37/77/1341603777.db2.gz SGEMYWWHYPDLFX-HOTGVXAUSA-N 1 2 347.409 3.025 20 30 EGEDLO CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1)C(C)(F)F ZINC001032755342 1341603778 /nfs/dbraw/zinc/60/37/78/1341603778.db2.gz SGEMYWWHYPDLFX-HOTGVXAUSA-N 1 2 347.409 3.025 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnn(C(C)C)c2Cl)C1 ZINC001033302699 1341773829 /nfs/dbraw/zinc/77/38/29/1341773829.db2.gz DZELBQQEBUEOCK-LBPRGKRZSA-N 1 2 345.274 3.016 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(C(C)C)c2Cl)C1 ZINC001033302699 1341773830 /nfs/dbraw/zinc/77/38/30/1341773830.db2.gz DZELBQQEBUEOCK-LBPRGKRZSA-N 1 2 345.274 3.016 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc3ccc(OC)cc3[nH]2)C1 ZINC001033318124 1341779129 /nfs/dbraw/zinc/77/91/29/1341779129.db2.gz OTGDBLTWWVWXAN-AWEZNQCLSA-N 1 2 347.846 3.075 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc3ccc(OC)cc3[nH]2)C1 ZINC001033318124 1341779133 /nfs/dbraw/zinc/77/91/33/1341779133.db2.gz OTGDBLTWWVWXAN-AWEZNQCLSA-N 1 2 347.846 3.075 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc3ccc(OC)cc3[nH]2)C1 ZINC001033318126 1341779297 /nfs/dbraw/zinc/77/92/97/1341779297.db2.gz OTGDBLTWWVWXAN-CQSZACIVSA-N 1 2 347.846 3.075 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3ccc(OC)cc3[nH]2)C1 ZINC001033318126 1341779298 /nfs/dbraw/zinc/77/92/98/1341779298.db2.gz OTGDBLTWWVWXAN-CQSZACIVSA-N 1 2 347.846 3.075 20 30 EGEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CC=C(Cl)Cl)C2)cc1 ZINC001033322045 1341780635 /nfs/dbraw/zinc/78/06/35/1341780635.db2.gz JUQYBWRJGYDTGG-HNNXBMFYSA-N 1 2 337.250 3.133 20 30 EGEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CC=C(Cl)Cl)C2)cc1 ZINC001033322045 1341780636 /nfs/dbraw/zinc/78/06/36/1341780636.db2.gz JUQYBWRJGYDTGG-HNNXBMFYSA-N 1 2 337.250 3.133 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCOc3ccccc32)C1 ZINC001033334513 1341786294 /nfs/dbraw/zinc/78/62/94/1341786294.db2.gz WRXJGNHLNWFOKS-JKSUJKDBSA-N 1 2 348.874 3.228 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCOc3ccccc32)C1 ZINC001033334513 1341786296 /nfs/dbraw/zinc/78/62/96/1341786296.db2.gz WRXJGNHLNWFOKS-JKSUJKDBSA-N 1 2 348.874 3.228 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(Cl)nc3)C2)C1 ZINC001033399215 1341813413 /nfs/dbraw/zinc/81/34/13/1341813413.db2.gz NKISKGZVAYNQNA-OAHLLOKOSA-N 1 2 333.863 3.124 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(Cl)nc3)C2)C1 ZINC001033399215 1341813415 /nfs/dbraw/zinc/81/34/15/1341813415.db2.gz NKISKGZVAYNQNA-OAHLLOKOSA-N 1 2 333.863 3.124 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001033460776 1341834271 /nfs/dbraw/zinc/83/42/71/1341834271.db2.gz UDMNMRDOSBCRRE-QZTJIDSGSA-N 1 2 332.875 3.077 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001033460776 1341834272 /nfs/dbraw/zinc/83/42/72/1341834272.db2.gz UDMNMRDOSBCRRE-QZTJIDSGSA-N 1 2 332.875 3.077 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001033490758 1341844988 /nfs/dbraw/zinc/84/49/88/1341844988.db2.gz WROCATWFOFNHSR-LMMKCTJWSA-N 1 2 332.875 3.465 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001033490758 1341844989 /nfs/dbraw/zinc/84/49/89/1341844989.db2.gz WROCATWFOFNHSR-LMMKCTJWSA-N 1 2 332.875 3.465 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc(F)c2OCC)C1 ZINC001033539940 1341863297 /nfs/dbraw/zinc/86/32/97/1341863297.db2.gz MYVXSIYBBFIOSW-ZDUSSCGKSA-N 1 2 340.826 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(F)c2OCC)C1 ZINC001033539940 1341863298 /nfs/dbraw/zinc/86/32/98/1341863298.db2.gz MYVXSIYBBFIOSW-ZDUSSCGKSA-N 1 2 340.826 3.123 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc(Cl)c3C)C[C@@H]21 ZINC001074249599 1356143328 /nfs/dbraw/zinc/14/33/28/1356143328.db2.gz VQLLGVAOCASDOD-ROUUACIJSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc(Cl)c3C)C[C@@H]21 ZINC001074249599 1356143332 /nfs/dbraw/zinc/14/33/32/1356143332.db2.gz VQLLGVAOCASDOD-ROUUACIJSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)cn2CC)C1 ZINC001033666276 1341935205 /nfs/dbraw/zinc/93/52/05/1341935205.db2.gz AUEDUPITPNYQIL-ZDUSSCGKSA-N 1 2 330.259 3.060 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)cn2CC)C1 ZINC001033666276 1341935208 /nfs/dbraw/zinc/93/52/08/1341935208.db2.gz AUEDUPITPNYQIL-ZDUSSCGKSA-N 1 2 330.259 3.060 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccc(F)cc2F)C1 ZINC001033679745 1341946427 /nfs/dbraw/zinc/94/64/27/1341946427.db2.gz LMAMGBUZWOKFMT-GXTWGEPZSA-N 1 2 342.817 3.354 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccc(F)cc2F)C1 ZINC001033679745 1341946432 /nfs/dbraw/zinc/94/64/32/1341946432.db2.gz LMAMGBUZWOKFMT-GXTWGEPZSA-N 1 2 342.817 3.354 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cncc(Cl)c2C)C1 ZINC001033863746 1342050242 /nfs/dbraw/zinc/05/02/42/1342050242.db2.gz BGVFCLZXOKXALG-CYBMUJFWSA-N 1 2 342.270 3.332 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cncc(Cl)c2C)C1 ZINC001033863746 1342050244 /nfs/dbraw/zinc/05/02/44/1342050244.db2.gz BGVFCLZXOKXALG-CYBMUJFWSA-N 1 2 342.270 3.332 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001033961155 1342114530 /nfs/dbraw/zinc/11/45/30/1342114530.db2.gz FDORPMYYNPCPSE-LBPRGKRZSA-N 1 2 346.780 3.393 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001033961155 1342114531 /nfs/dbraw/zinc/11/45/31/1342114531.db2.gz FDORPMYYNPCPSE-LBPRGKRZSA-N 1 2 346.780 3.393 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2csc(Cl)n2)C1 ZINC001034008933 1342145945 /nfs/dbraw/zinc/14/59/45/1342145945.db2.gz IQMMGMCZDNEUBK-JTQLQIEISA-N 1 2 334.272 3.085 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2csc(Cl)n2)C1 ZINC001034008933 1342145947 /nfs/dbraw/zinc/14/59/47/1342145947.db2.gz IQMMGMCZDNEUBK-JTQLQIEISA-N 1 2 334.272 3.085 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C)cc2OC)C1 ZINC001034028321 1342166975 /nfs/dbraw/zinc/16/69/75/1342166975.db2.gz YXCMECMUEAVXPA-OAHLLOKOSA-N 1 2 336.863 3.293 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C)cc2OC)C1 ZINC001034028321 1342166978 /nfs/dbraw/zinc/16/69/78/1342166978.db2.gz YXCMECMUEAVXPA-OAHLLOKOSA-N 1 2 336.863 3.293 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C(F)F)nc2)C1 ZINC001034240523 1342341215 /nfs/dbraw/zinc/34/12/15/1342341215.db2.gz QVGZIJDGRRAEPE-CYBMUJFWSA-N 1 2 343.805 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C(F)F)nc2)C1 ZINC001034240523 1342341218 /nfs/dbraw/zinc/34/12/18/1342341218.db2.gz QVGZIJDGRRAEPE-CYBMUJFWSA-N 1 2 343.805 3.356 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC001034246448 1342344155 /nfs/dbraw/zinc/34/41/55/1342344155.db2.gz DOCOEALDYXGASN-ZDUSSCGKSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC001034246448 1342344161 /nfs/dbraw/zinc/34/41/61/1342344161.db2.gz DOCOEALDYXGASN-ZDUSSCGKSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cc(C(C)C)on2)C1 ZINC001034327737 1342402497 /nfs/dbraw/zinc/40/24/97/1342402497.db2.gz KMQNQVHPWYFLAW-ZDUSSCGKSA-N 1 2 325.840 3.135 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cc(C(C)C)on2)C1 ZINC001034327737 1342402498 /nfs/dbraw/zinc/40/24/98/1342402498.db2.gz KMQNQVHPWYFLAW-ZDUSSCGKSA-N 1 2 325.840 3.135 20 30 EGEDLO C[C@@H]1C[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001034349833 1342419281 /nfs/dbraw/zinc/41/92/81/1342419281.db2.gz WESOBPRGBXQGJF-BPQIPLTHSA-N 1 2 344.886 3.318 20 30 EGEDLO C[C@@H]1C[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001034349833 1342419283 /nfs/dbraw/zinc/41/92/83/1342419283.db2.gz WESOBPRGBXQGJF-BPQIPLTHSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cccc(OCC)c2)C1 ZINC001034417627 1342479045 /nfs/dbraw/zinc/47/90/45/1342479045.db2.gz UQSSQCOPEVFPIN-INIZCTEOSA-N 1 2 336.863 3.422 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cccc(OCC)c2)C1 ZINC001034417627 1342479048 /nfs/dbraw/zinc/47/90/48/1342479048.db2.gz UQSSQCOPEVFPIN-INIZCTEOSA-N 1 2 336.863 3.422 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2oc(C(C)C)nc2C)C1 ZINC001034432733 1342495188 /nfs/dbraw/zinc/49/51/88/1342495188.db2.gz JJGSPGJJCFYVLK-CQSZACIVSA-N 1 2 339.867 3.443 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2oc(C(C)C)nc2C)C1 ZINC001034432733 1342495189 /nfs/dbraw/zinc/49/51/89/1342495189.db2.gz JJGSPGJJCFYVLK-CQSZACIVSA-N 1 2 339.867 3.443 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cccc(OC)c2F)C1 ZINC001034460670 1342517135 /nfs/dbraw/zinc/51/71/35/1342517135.db2.gz KAWMJJLHZHJYPE-ZDUSSCGKSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cccc(OC)c2F)C1 ZINC001034460670 1342517137 /nfs/dbraw/zinc/51/71/37/1342517137.db2.gz KAWMJJLHZHJYPE-ZDUSSCGKSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2coc(C3CCC3)n2)C1 ZINC001034481707 1342538295 /nfs/dbraw/zinc/53/82/95/1342538295.db2.gz VLNYNHIKRQEJHY-AWEZNQCLSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2coc(C3CCC3)n2)C1 ZINC001034481707 1342538301 /nfs/dbraw/zinc/53/83/01/1342538301.db2.gz VLNYNHIKRQEJHY-AWEZNQCLSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2oc(CCC)nc2C)C1 ZINC001034483560 1342541163 /nfs/dbraw/zinc/54/11/63/1342541163.db2.gz FEHKJYUZTPAQNI-AWEZNQCLSA-N 1 2 339.867 3.272 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2oc(CCC)nc2C)C1 ZINC001034483560 1342541170 /nfs/dbraw/zinc/54/11/70/1342541170.db2.gz FEHKJYUZTPAQNI-AWEZNQCLSA-N 1 2 339.867 3.272 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]1C(F)F)CC2 ZINC001035720309 1343152100 /nfs/dbraw/zinc/15/21/00/1343152100.db2.gz HNUFNXXKAGZNPC-UONOGXRCSA-N 1 2 346.849 3.345 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)Cc1ccsc1C)CC2 ZINC001035810098 1343210163 /nfs/dbraw/zinc/21/01/63/1343210163.db2.gz GJIAILMWJOJLEK-UHFFFAOYSA-N 1 2 338.904 3.276 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)Cc1ccco1)CC2 ZINC001035814831 1343212951 /nfs/dbraw/zinc/21/29/51/1343212951.db2.gz UICDZJDHTPLWSS-AWEZNQCLSA-N 1 2 336.863 3.135 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cncc(Cl)c1)CC2 ZINC001035816912 1343213743 /nfs/dbraw/zinc/21/37/43/1343213743.db2.gz XRBAHMUQZJHFDM-UHFFFAOYSA-N 1 2 340.254 3.026 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)CC[C@H]1CC[C@H](C)O1)CC2 ZINC001035854485 1343231401 /nfs/dbraw/zinc/23/14/01/1343231401.db2.gz ZUWZIHIRCBDRAU-JKSUJKDBSA-N 1 2 340.895 3.011 20 30 EGEDLO CCc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)s1 ZINC001038479723 1344443605 /nfs/dbraw/zinc/44/36/05/1344443605.db2.gz QHSKRXSEABGXLO-MRXNPFEDSA-N 1 2 339.464 3.186 20 30 EGEDLO CCc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)s1 ZINC001038479723 1344443606 /nfs/dbraw/zinc/44/36/06/1344443606.db2.gz QHSKRXSEABGXLO-MRXNPFEDSA-N 1 2 339.464 3.186 20 30 EGEDLO Cc1cc(F)cc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)c1 ZINC001038728310 1344554595 /nfs/dbraw/zinc/55/45/95/1344554595.db2.gz GULJJLKGIDSBFZ-IBGZPJMESA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cc(F)cc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)c1 ZINC001038728310 1344554599 /nfs/dbraw/zinc/55/45/99/1344554599.db2.gz GULJJLKGIDSBFZ-IBGZPJMESA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cc(F)ccc1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038941571 1344664379 /nfs/dbraw/zinc/66/43/79/1344664379.db2.gz BVNCAOXUSZPQON-GOSISDBHSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cc(F)ccc1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038941571 1344664382 /nfs/dbraw/zinc/66/43/82/1344664382.db2.gz BVNCAOXUSZPQON-GOSISDBHSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)c1C ZINC001038972870 1344689388 /nfs/dbraw/zinc/68/93/88/1344689388.db2.gz MKHMYUJFNUCHAI-FQEVSTJZSA-N 1 2 332.447 3.159 20 30 EGEDLO Cc1cccc(C(=O)NC[C@@H]2CC[N@H+]2CC#Cc2ccccc2)c1C ZINC001038972870 1344689393 /nfs/dbraw/zinc/68/93/93/1344689393.db2.gz MKHMYUJFNUCHAI-FQEVSTJZSA-N 1 2 332.447 3.159 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccc(C(F)F)o2)cc1 ZINC001038979309 1344693399 /nfs/dbraw/zinc/69/33/99/1344693399.db2.gz NGJSKYLGPQNQJA-CQSZACIVSA-N 1 2 345.349 3.093 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccc(C(F)F)o2)cc1 ZINC001038979309 1344693403 /nfs/dbraw/zinc/69/34/03/1344693403.db2.gz NGJSKYLGPQNQJA-CQSZACIVSA-N 1 2 345.349 3.093 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccnc1C1CC1 ZINC001039399315 1345046424 /nfs/dbraw/zinc/04/64/24/1345046424.db2.gz SVNZYPPDHZWSBM-CVEARBPZSA-N 1 2 345.874 3.390 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccnc1C1CC1 ZINC001039399315 1345046427 /nfs/dbraw/zinc/04/64/27/1345046427.db2.gz SVNZYPPDHZWSBM-CVEARBPZSA-N 1 2 345.874 3.390 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ncc(C)cc1C ZINC001039409113 1345053353 /nfs/dbraw/zinc/05/33/53/1345053353.db2.gz ZGMBKGJJDODRLJ-CVEARBPZSA-N 1 2 333.863 3.130 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ncc(C)cc1C ZINC001039409113 1345053358 /nfs/dbraw/zinc/05/33/58/1345053358.db2.gz ZGMBKGJJDODRLJ-CVEARBPZSA-N 1 2 333.863 3.130 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(C)s1 ZINC001039474182 1345089103 /nfs/dbraw/zinc/08/91/03/1345089103.db2.gz VTMYSLQKFAAAPE-CABCVRRESA-N 1 2 338.904 3.417 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(C)s1 ZINC001039474182 1345089106 /nfs/dbraw/zinc/08/91/06/1345089106.db2.gz VTMYSLQKFAAAPE-CABCVRRESA-N 1 2 338.904 3.417 20 30 EGEDLO Cc1ccoc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001039512536 1345123498 /nfs/dbraw/zinc/12/34/98/1345123498.db2.gz SABWONAEPODMTC-KDURUIRLSA-N 1 2 349.434 3.339 20 30 EGEDLO Cc1ccoc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001039512536 1345123503 /nfs/dbraw/zinc/12/35/03/1345123503.db2.gz SABWONAEPODMTC-KDURUIRLSA-N 1 2 349.434 3.339 20 30 EGEDLO O=C(C#CC1CC1)N1CC[C@@]2(C1)CCC[N@@H+](C/C(Cl)=C/Cl)C2 ZINC001040199051 1345372293 /nfs/dbraw/zinc/37/22/93/1345372293.db2.gz YLBYQTBDCULANC-MJSCBBHESA-N 1 2 341.282 3.033 20 30 EGEDLO O=C(C#CC1CC1)N1CC[C@@]2(C1)CCC[N@H+](C/C(Cl)=C/Cl)C2 ZINC001040199051 1345372296 /nfs/dbraw/zinc/37/22/96/1345372296.db2.gz YLBYQTBDCULANC-MJSCBBHESA-N 1 2 341.282 3.033 20 30 EGEDLO C=CCn1cccc1C(=O)N(C)C1C[NH+](Cc2ccc(CC)cc2)C1 ZINC001042926938 1346125297 /nfs/dbraw/zinc/12/52/97/1346125297.db2.gz HTMYMKGFNPJNGH-UHFFFAOYSA-N 1 2 337.467 3.193 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)C2CC(C)(C)C2)CC1 ZINC001045429522 1346591271 /nfs/dbraw/zinc/59/12/71/1346591271.db2.gz ZRTHSLDPQJAYQT-UHFFFAOYSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C1CCC(C(=O)NC2(C)CC[NH+](Cc3ncc(CC)o3)CC2)CC1 ZINC001045545963 1346626383 /nfs/dbraw/zinc/62/63/83/1346626383.db2.gz OKBJIUWSBUQJSB-UHFFFAOYSA-N 1 2 345.487 3.454 20 30 EGEDLO CC1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cc(F)ccc2C#N)CC1 ZINC001045785981 1346697628 /nfs/dbraw/zinc/69/76/28/1346697628.db2.gz FXJBMOIQKUKPMZ-MSOLQXFVSA-N 1 2 341.430 3.063 20 30 EGEDLO CC1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(F)ccc2C#N)CC1 ZINC001045785981 1346697631 /nfs/dbraw/zinc/69/76/31/1346697631.db2.gz FXJBMOIQKUKPMZ-MSOLQXFVSA-N 1 2 341.430 3.063 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(F)C(F)(F)F)C2 ZINC001045938466 1346774621 /nfs/dbraw/zinc/77/46/21/1346774621.db2.gz BUMIDHVFXACRSW-DZGCQCFKSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(F)C(F)(F)F)C2 ZINC001045938466 1346774622 /nfs/dbraw/zinc/77/46/22/1346774622.db2.gz BUMIDHVFXACRSW-DZGCQCFKSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](F)C(F)(F)F)C2 ZINC001045938466 1346774625 /nfs/dbraw/zinc/77/46/25/1346774625.db2.gz BUMIDHVFXACRSW-DZGCQCFKSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](F)C(F)(F)F)C2 ZINC001045938466 1346774627 /nfs/dbraw/zinc/77/46/27/1346774627.db2.gz BUMIDHVFXACRSW-DZGCQCFKSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(F)cc3ccncc32)C1 ZINC001046319272 1346933878 /nfs/dbraw/zinc/93/38/78/1346933878.db2.gz LBPSMLDUYGHKGP-GOSISDBHSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(F)cc3ccncc32)C1 ZINC001046319272 1346933880 /nfs/dbraw/zinc/93/38/80/1346933880.db2.gz LBPSMLDUYGHKGP-GOSISDBHSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC001046458930 1346981076 /nfs/dbraw/zinc/98/10/76/1346981076.db2.gz SUKFZGPTLNGUGK-IBGZPJMESA-N 1 2 343.858 3.424 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC001046458930 1346981078 /nfs/dbraw/zinc/98/10/78/1346981078.db2.gz SUKFZGPTLNGUGK-IBGZPJMESA-N 1 2 343.858 3.424 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2COc3cc(C)c(C)cc32)C1 ZINC001046514069 1347000291 /nfs/dbraw/zinc/00/02/91/1347000291.db2.gz BTTNIOZOFDNRRR-LPHOPBHVSA-N 1 2 348.874 3.113 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2COc3cc(C)c(C)cc32)C1 ZINC001046514069 1347000294 /nfs/dbraw/zinc/00/02/94/1347000294.db2.gz BTTNIOZOFDNRRR-LPHOPBHVSA-N 1 2 348.874 3.113 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc3cnccc3c2)C1 ZINC001046751990 1347083569 /nfs/dbraw/zinc/08/35/69/1347083569.db2.gz VFVITEIBJMLESY-SFHVURJKSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc3cnccc3c2)C1 ZINC001046751990 1347083571 /nfs/dbraw/zinc/08/35/71/1347083571.db2.gz VFVITEIBJMLESY-SFHVURJKSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)C2CCC=CCC2)C1 ZINC001046831709 1347122555 /nfs/dbraw/zinc/12/25/55/1347122555.db2.gz QNERVUDTGUYAAT-INIZCTEOSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)C2CCC=CCC2)C1 ZINC001046831709 1347122559 /nfs/dbraw/zinc/12/25/59/1347122559.db2.gz QNERVUDTGUYAAT-INIZCTEOSA-N 1 2 341.293 3.222 20 30 EGEDLO C[C@]1(NC(=O)c2ccc(F)s2)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046867774 1347139175 /nfs/dbraw/zinc/13/91/75/1347139175.db2.gz KFQCKRWQUXRIHC-SFHVURJKSA-N 1 2 343.427 3.153 20 30 EGEDLO C[C@]1(NC(=O)c2ccc(F)s2)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046867774 1347139176 /nfs/dbraw/zinc/13/91/76/1347139176.db2.gz KFQCKRWQUXRIHC-SFHVURJKSA-N 1 2 343.427 3.153 20 30 EGEDLO CC(C)(F)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001049284231 1347769579 /nfs/dbraw/zinc/76/95/79/1347769579.db2.gz IXTFKBJTCWFSOT-IAGOWNOFSA-N 1 2 347.409 3.011 20 30 EGEDLO CC(C)(F)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001049284231 1347769580 /nfs/dbraw/zinc/76/95/80/1347769580.db2.gz IXTFKBJTCWFSOT-IAGOWNOFSA-N 1 2 347.409 3.011 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(CC)CC ZINC001049322967 1347790124 /nfs/dbraw/zinc/79/01/24/1347790124.db2.gz QQSCBPJJQAVTNR-HUUCEWRRSA-N 1 2 343.309 3.397 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(CC)CC ZINC001049322967 1347790125 /nfs/dbraw/zinc/79/01/25/1347790125.db2.gz QQSCBPJJQAVTNR-HUUCEWRRSA-N 1 2 343.309 3.397 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1scnc1CC ZINC001049510354 1347884909 /nfs/dbraw/zinc/88/49/09/1347884909.db2.gz FOTSZPOXWREJKQ-ZIAGYGMSSA-N 1 2 339.892 3.137 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1scnc1CC ZINC001049510354 1347884911 /nfs/dbraw/zinc/88/49/11/1347884911.db2.gz FOTSZPOXWREJKQ-ZIAGYGMSSA-N 1 2 339.892 3.137 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC001049514465 1347886491 /nfs/dbraw/zinc/88/64/91/1347886491.db2.gz FSAFONIJUKBCAG-KBPBESRZSA-N 1 2 348.878 3.196 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC001049514465 1347886493 /nfs/dbraw/zinc/88/64/93/1347886493.db2.gz FSAFONIJUKBCAG-KBPBESRZSA-N 1 2 348.878 3.196 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1csc(Cl)n1 ZINC001049826004 1348042335 /nfs/dbraw/zinc/04/23/35/1348042335.db2.gz PQPDFBVRZLARDW-VXGBXAGGSA-N 1 2 346.283 3.228 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1csc(Cl)n1 ZINC001049826004 1348042339 /nfs/dbraw/zinc/04/23/39/1348042339.db2.gz PQPDFBVRZLARDW-VXGBXAGGSA-N 1 2 346.283 3.228 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccccc1CC(C)(C)C ZINC001050973019 1348378674 /nfs/dbraw/zinc/37/86/74/1348378674.db2.gz CPEHHDBYCSKKCS-GOSISDBHSA-N 1 2 344.499 3.282 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccccc1CC(C)(C)C ZINC001050973019 1348378678 /nfs/dbraw/zinc/37/86/78/1348378678.db2.gz CPEHHDBYCSKKCS-GOSISDBHSA-N 1 2 344.499 3.282 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc3sccc3s1)CCO2 ZINC001053309568 1348999745 /nfs/dbraw/zinc/99/97/45/1348999745.db2.gz LSEACIZDTGETBI-UHFFFAOYSA-N 1 2 348.493 3.066 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C1CCC(C(C)(C)C)CC1)CCO2 ZINC001053523227 1349054746 /nfs/dbraw/zinc/05/47/46/1349054746.db2.gz UXCDSQKSUVCLMD-UHFFFAOYSA-N 1 2 348.531 3.328 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc([C@H](C)CC)cc1)CCO2 ZINC001053541874 1349058205 /nfs/dbraw/zinc/05/82/05/1349058205.db2.gz BRTJZWYSJYTCTO-QGZVFWFLSA-N 1 2 342.483 3.303 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1csc(C)c1C ZINC001054041262 1349136126 /nfs/dbraw/zinc/13/61/26/1349136126.db2.gz HJCNSDQVUKGHAX-SFHVURJKSA-N 1 2 338.476 3.155 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1csc(C)c1C ZINC001054041262 1349136131 /nfs/dbraw/zinc/13/61/31/1349136131.db2.gz HJCNSDQVUKGHAX-SFHVURJKSA-N 1 2 338.476 3.155 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc([C@H]4C[C@@H]4C)o3)cc2C1 ZINC001054264628 1349263116 /nfs/dbraw/zinc/26/31/16/1349263116.db2.gz NHPKYBDMBTZPDT-KSSFIOAISA-N 1 2 334.419 3.282 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc([C@H]4C[C@@H]4C)o3)cc2C1 ZINC001054264628 1349263120 /nfs/dbraw/zinc/26/31/20/1349263120.db2.gz NHPKYBDMBTZPDT-KSSFIOAISA-N 1 2 334.419 3.282 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCc4cc(F)ccc43)cc2C1 ZINC001054273948 1349274261 /nfs/dbraw/zinc/27/42/61/1349274261.db2.gz JTHKDEBFDRZIBQ-OAQYLSRUSA-N 1 2 348.421 3.121 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCc4cc(F)ccc43)cc2C1 ZINC001054273948 1349274263 /nfs/dbraw/zinc/27/42/63/1349274263.db2.gz JTHKDEBFDRZIBQ-OAQYLSRUSA-N 1 2 348.421 3.121 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC(F)(F)C3)cc2C1 ZINC001054280804 1349282155 /nfs/dbraw/zinc/28/21/55/1349282155.db2.gz SNDZYZBTAOMXES-OAHLLOKOSA-N 1 2 332.394 3.077 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC(F)(F)C3)cc2C1 ZINC001054280804 1349282157 /nfs/dbraw/zinc/28/21/57/1349282157.db2.gz SNDZYZBTAOMXES-OAHLLOKOSA-N 1 2 332.394 3.077 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3csc(C(C)C)n3)cc2C1 ZINC001054285334 1349287330 /nfs/dbraw/zinc/28/73/30/1349287330.db2.gz DPRYQVHHTYFCSF-UHFFFAOYSA-N 1 2 339.464 3.145 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3csc(C(C)C)n3)cc2C1 ZINC001054285334 1349287334 /nfs/dbraw/zinc/28/73/34/1349287334.db2.gz DPRYQVHHTYFCSF-UHFFFAOYSA-N 1 2 339.464 3.145 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c(F)cc(C)cc2F)C1 ZINC001080093526 1357481561 /nfs/dbraw/zinc/48/15/61/1357481561.db2.gz KAMKWKKVLVDPMU-QMTHXVAHSA-N 1 2 328.790 3.076 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c(F)cc(C)cc2F)C1 ZINC001080093526 1357481563 /nfs/dbraw/zinc/48/15/63/1357481563.db2.gz KAMKWKKVLVDPMU-QMTHXVAHSA-N 1 2 328.790 3.076 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCN(c3cc(C)[nH+]c(C4CC4)n3)C2)C1 ZINC001058235803 1350230704 /nfs/dbraw/zinc/23/07/04/1350230704.db2.gz FDZHNYLFFLJMBW-INIZCTEOSA-N 1 2 340.471 3.104 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CC[C@@H](Nc3cc[nH+]c(C)n3)[C@H]2C1 ZINC001060541467 1350960167 /nfs/dbraw/zinc/96/01/67/1350960167.db2.gz PJOCKSQWWXZVJG-SOUVJXGZSA-N 1 2 348.878 3.213 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H](CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001060957100 1351191582 /nfs/dbraw/zinc/19/15/82/1351191582.db2.gz GPSOOHJDAFMYPY-HNNXBMFYSA-N 1 2 342.487 3.136 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001061259440 1351330949 /nfs/dbraw/zinc/33/09/49/1351330949.db2.gz OUYRBIYFEFDPPA-FXAWDEMLSA-N 1 2 344.503 3.431 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC([C@H]2CCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001064426298 1352580649 /nfs/dbraw/zinc/58/06/49/1352580649.db2.gz NHSKQRZCSBPNKH-KRWDZBQOSA-N 1 2 342.487 3.062 20 30 EGEDLO Cc1cc(N[C@H]2CCN(C(=O)C#CC3CC3)[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC001064769067 1352688672 /nfs/dbraw/zinc/68/86/72/1352688672.db2.gz LAVFDRWCLUKSTO-RDJZCZTQSA-N 1 2 340.471 3.113 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H](Nc3cc[nH+]c(C)n3)C[C@H]2C)CC1 ZINC001064822767 1352701988 /nfs/dbraw/zinc/70/19/88/1352701988.db2.gz JFTVPOJQLIFICR-PBHICJAKSA-N 1 2 328.460 3.323 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001067793268 1353526067 /nfs/dbraw/zinc/52/60/67/1353526067.db2.gz IWKFEBGKFRTCRV-PXNSSMCTSA-N 1 2 344.503 3.431 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@H](CNc3cc[nH+]c(C)n3)C2)CC1 ZINC001069505648 1354101329 /nfs/dbraw/zinc/10/13/29/1354101329.db2.gz PKONJIJJWWZFPK-DOTOQJQBSA-N 1 2 328.460 3.228 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CCCC[C@H]3CC)c2C1 ZINC001069879829 1354293119 /nfs/dbraw/zinc/29/31/19/1354293119.db2.gz VIWZKJRKCRZNQV-SJLPKXTDSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CCCC[C@H]3CC)c2C1 ZINC001069879829 1354293122 /nfs/dbraw/zinc/29/31/22/1354293122.db2.gz VIWZKJRKCRZNQV-SJLPKXTDSA-N 1 2 344.503 3.107 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1)C(=O)[C@@H]1CC1(C)C ZINC001085552635 1358588408 /nfs/dbraw/zinc/58/84/08/1358588408.db2.gz JFNRGAMFHYZDBD-ROUUACIJSA-N 1 2 344.886 3.270 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1)C(=O)[C@@H]1CC1(C)C ZINC001085552635 1358588410 /nfs/dbraw/zinc/58/84/10/1358588410.db2.gz JFNRGAMFHYZDBD-ROUUACIJSA-N 1 2 344.886 3.270 20 30 EGEDLO C=C(C)CC[N@@H+]1Cc2cnn(C3CCN(C(=O)[C@@H](F)CC)CC3)c2C1 ZINC001070347862 1354327274 /nfs/dbraw/zinc/32/72/74/1354327274.db2.gz RCIHUIZAGUMSLQ-KRWDZBQOSA-N 1 2 348.466 3.077 20 30 EGEDLO C=C(C)CC[N@H+]1Cc2cnn(C3CCN(C(=O)[C@@H](F)CC)CC3)c2C1 ZINC001070347862 1354327279 /nfs/dbraw/zinc/32/72/79/1354327279.db2.gz RCIHUIZAGUMSLQ-KRWDZBQOSA-N 1 2 348.466 3.077 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)c2ccoc2)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC001071349811 1354617508 /nfs/dbraw/zinc/61/75/08/1354617508.db2.gz MAJFFBMPCINMTF-DYVFJYSZSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)c2ccoc2)C[N@H+]1Cc1ccc(C#N)cc1F ZINC001071349811 1354617515 /nfs/dbraw/zinc/61/75/15/1354617515.db2.gz MAJFFBMPCINMTF-DYVFJYSZSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)c2ccccc2O)C[N@@H+]1Cc1ccccc1C#N ZINC001071356277 1354625595 /nfs/dbraw/zinc/62/55/95/1354625595.db2.gz JRSJJJHHSIQRMP-QAPCUYQASA-N 1 2 349.434 3.047 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)c2ccccc2O)C[N@H+]1Cc1ccccc1C#N ZINC001071356277 1354625597 /nfs/dbraw/zinc/62/55/97/1354625597.db2.gz JRSJJJHHSIQRMP-QAPCUYQASA-N 1 2 349.434 3.047 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@]2(C)CC=CCC2)[C@H]1C ZINC001088588791 1359982928 /nfs/dbraw/zinc/98/29/28/1359982928.db2.gz BFNKDSWBBKZBDA-IJEWVQPXSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CC=CCC2)[C@H]1C ZINC001088588791 1359982929 /nfs/dbraw/zinc/98/29/29/1359982929.db2.gz BFNKDSWBBKZBDA-IJEWVQPXSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc(F)ccc2F)CC[C@H]1C ZINC001071569256 1354769650 /nfs/dbraw/zinc/76/96/50/1354769650.db2.gz XMLXJYMZRIPCMG-DGCLKSJQSA-N 1 2 328.790 3.300 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc(F)ccc2F)CC[C@H]1C ZINC001071569256 1354769655 /nfs/dbraw/zinc/76/96/55/1354769655.db2.gz XMLXJYMZRIPCMG-DGCLKSJQSA-N 1 2 328.790 3.300 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccn3c2CCCC3)CC[C@@H]1C ZINC001071573022 1354771787 /nfs/dbraw/zinc/77/17/87/1354771787.db2.gz BNBCXVRSORORGK-LSDHHAIUSA-N 1 2 335.879 3.160 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccn3c2CCCC3)CC[C@@H]1C ZINC001071573022 1354771790 /nfs/dbraw/zinc/77/17/90/1354771790.db2.gz BNBCXVRSORORGK-LSDHHAIUSA-N 1 2 335.879 3.160 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C2(F)CCCC2)C[N@@H+]1Cc1ccccc1C#N ZINC001071625132 1354807757 /nfs/dbraw/zinc/80/77/57/1354807757.db2.gz MRTPDXMXLGKPKV-YJBOKZPZSA-N 1 2 343.446 3.310 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C2(F)CCCC2)C[N@H+]1Cc1ccccc1C#N ZINC001071625132 1354807761 /nfs/dbraw/zinc/80/77/61/1354807761.db2.gz MRTPDXMXLGKPKV-YJBOKZPZSA-N 1 2 343.446 3.310 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3ccc(F)cn3)C2)CC1 ZINC001071795004 1354939899 /nfs/dbraw/zinc/93/98/99/1354939899.db2.gz HFYNRBBUWPQQFM-DNVCBOLYSA-N 1 2 345.462 3.436 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3ccc(F)cn3)C2)CC1 ZINC001071795004 1354939901 /nfs/dbraw/zinc/93/99/01/1354939901.db2.gz HFYNRBBUWPQQFM-DNVCBOLYSA-N 1 2 345.462 3.436 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3csc(C)n3)C2)C1 ZINC001071803311 1354945970 /nfs/dbraw/zinc/94/59/70/1354945970.db2.gz KOMHBQWMHLCGHC-DZGCQCFKSA-N 1 2 333.501 3.277 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3csc(C)n3)C2)C1 ZINC001071803311 1354945975 /nfs/dbraw/zinc/94/59/75/1354945975.db2.gz KOMHBQWMHLCGHC-DZGCQCFKSA-N 1 2 333.501 3.277 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc(-c3ccco3)n[nH]2)CC[C@H]1C ZINC001071841488 1354973254 /nfs/dbraw/zinc/97/32/54/1354973254.db2.gz WWOCWCVGXIYRIL-OLZOCXBDSA-N 1 2 348.834 3.005 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc(-c3ccco3)n[nH]2)CC[C@H]1C ZINC001071841488 1354973256 /nfs/dbraw/zinc/97/32/56/1354973256.db2.gz WWOCWCVGXIYRIL-OLZOCXBDSA-N 1 2 348.834 3.005 20 30 EGEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(=C)Cl)C2)cc1 ZINC001071868274 1354993845 /nfs/dbraw/zinc/99/38/45/1354993845.db2.gz ILXOUTVZEDPXBD-WBVHZDCISA-N 1 2 346.858 3.034 20 30 EGEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(=C)Cl)C2)cc1 ZINC001071868274 1354993850 /nfs/dbraw/zinc/99/38/50/1354993850.db2.gz ILXOUTVZEDPXBD-WBVHZDCISA-N 1 2 346.858 3.034 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2c(C)nsc2C)CC[C@H]1C ZINC001072105969 1355133759 /nfs/dbraw/zinc/13/37/59/1355133759.db2.gz NFQVVMIEBXRYGM-MFKMUULPSA-N 1 2 327.881 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2c(C)nsc2C)CC[C@H]1C ZINC001072105969 1355133760 /nfs/dbraw/zinc/13/37/60/1355133760.db2.gz NFQVVMIEBXRYGM-MFKMUULPSA-N 1 2 327.881 3.095 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2OCC[N@@H+](CC=C(C)C)[C@@H]2C1 ZINC001074253585 1356144914 /nfs/dbraw/zinc/14/49/14/1356144914.db2.gz XCLQCRJXSUPXBC-HZPDHXFCSA-N 1 2 340.895 3.033 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2OCC[N@H+](CC=C(C)C)[C@@H]2C1 ZINC001074253585 1356144915 /nfs/dbraw/zinc/14/49/15/1356144915.db2.gz XCLQCRJXSUPXBC-HZPDHXFCSA-N 1 2 340.895 3.033 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCC[N@H+](CC3=CCCCC3)[C@@H]2C1 ZINC001074312635 1356163422 /nfs/dbraw/zinc/16/34/22/1356163422.db2.gz QAKRAJYUWZSUHP-QZTJIDSGSA-N 1 2 332.488 3.001 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCC[N@@H+](CC3=CCCCC3)[C@@H]2C1 ZINC001074312635 1356163425 /nfs/dbraw/zinc/16/34/25/1356163425.db2.gz QAKRAJYUWZSUHP-QZTJIDSGSA-N 1 2 332.488 3.001 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)cccc3Cl)C[C@@H]21 ZINC001074329803 1356171904 /nfs/dbraw/zinc/17/19/04/1356171904.db2.gz QLRPPENACZABME-DLBZAZTESA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)cccc3Cl)C[C@@H]21 ZINC001074329803 1356171905 /nfs/dbraw/zinc/17/19/05/1356171905.db2.gz QLRPPENACZABME-DLBZAZTESA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C)cc3Cl)C[C@@H]21 ZINC001074340013 1356175111 /nfs/dbraw/zinc/17/51/11/1356175111.db2.gz FVEPLSZDRDKAKY-ROUUACIJSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C)cc3Cl)C[C@@H]21 ZINC001074340013 1356175113 /nfs/dbraw/zinc/17/51/13/1356175113.db2.gz FVEPLSZDRDKAKY-ROUUACIJSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CC3CCCCCC3)C[C@H]21 ZINC001074342917 1356176179 /nfs/dbraw/zinc/17/61/79/1356176179.db2.gz DQDKLWVTMBCKGB-MOPGFXCFSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CC3CCCCCC3)C[C@H]21 ZINC001074342917 1356176184 /nfs/dbraw/zinc/17/61/84/1356176184.db2.gz DQDKLWVTMBCKGB-MOPGFXCFSA-N 1 2 334.504 3.225 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccsc2)C3)s1 ZINC001096772608 1362697948 /nfs/dbraw/zinc/69/79/48/1362697948.db2.gz NWGRGWBLFLFNRS-WQVCFCJDSA-N 1 2 343.477 3.217 20 30 EGEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccsc2)C3)s1 ZINC001096772608 1362697952 /nfs/dbraw/zinc/69/79/52/1362697952.db2.gz NWGRGWBLFLFNRS-WQVCFCJDSA-N 1 2 343.477 3.217 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(C4CCCCC4)CC3)C[C@H]21 ZINC001074392754 1356192031 /nfs/dbraw/zinc/19/20/31/1356192031.db2.gz OUDXAUPKZUVDKZ-RTBURBONSA-N 1 2 346.515 3.225 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C3(C4CCCCC4)CC3)C[C@H]21 ZINC001074392754 1356192034 /nfs/dbraw/zinc/19/20/34/1356192034.db2.gz OUDXAUPKZUVDKZ-RTBURBONSA-N 1 2 346.515 3.225 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)[C@@H](C)CO4)[C@@H]2C1 ZINC001076159156 1356509736 /nfs/dbraw/zinc/50/97/36/1356509736.db2.gz URLQKJPWRKHEQH-YLQAJVPDSA-N 1 2 346.858 3.081 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)[C@@H](C)CO4)[C@@H]2C1 ZINC001076159156 1356509740 /nfs/dbraw/zinc/50/97/40/1356509740.db2.gz URLQKJPWRKHEQH-YLQAJVPDSA-N 1 2 346.858 3.081 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ccn(CC)n1 ZINC001099098388 1363621446 /nfs/dbraw/zinc/62/14/46/1363621446.db2.gz OPTHIHPCYRMEIJ-SFHVURJKSA-N 1 2 346.519 3.366 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ccn(CC)n1 ZINC001099098388 1363621448 /nfs/dbraw/zinc/62/14/48/1363621448.db2.gz OPTHIHPCYRMEIJ-SFHVURJKSA-N 1 2 346.519 3.366 20 30 EGEDLO CCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)CCC1 ZINC001084592207 1358249739 /nfs/dbraw/zinc/24/97/39/1358249739.db2.gz IPBGHODRHPVLEX-RTBURBONSA-N 1 2 337.467 3.171 20 30 EGEDLO CCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)CCC1 ZINC001084592207 1358249741 /nfs/dbraw/zinc/24/97/41/1358249741.db2.gz IPBGHODRHPVLEX-RTBURBONSA-N 1 2 337.467 3.171 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4oc(C)nc43)[C@@H]2C1 ZINC001084859265 1358332449 /nfs/dbraw/zinc/33/24/49/1358332449.db2.gz MWJVXYRRIZPPPF-UKRRQHHQSA-N 1 2 345.830 3.035 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4oc(C)nc43)[C@@H]2C1 ZINC001084859265 1358332452 /nfs/dbraw/zinc/33/24/52/1358332452.db2.gz MWJVXYRRIZPPPF-UKRRQHHQSA-N 1 2 345.830 3.035 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)c1ccc(F)cc1 ZINC001085456997 1358510476 /nfs/dbraw/zinc/51/04/76/1358510476.db2.gz YJAMLKDMYOCMJI-FQEVSTJZSA-N 1 2 336.410 3.024 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)c1ccc(F)cc1 ZINC001085456997 1358510479 /nfs/dbraw/zinc/51/04/79/1358510479.db2.gz YJAMLKDMYOCMJI-FQEVSTJZSA-N 1 2 336.410 3.024 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)C1CCCCC1 ZINC001085462120 1358516465 /nfs/dbraw/zinc/51/64/65/1358516465.db2.gz XLIQTOOGNWXRKP-LJQANCHMSA-N 1 2 325.456 3.171 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)C1CCCCC1 ZINC001085462120 1358516469 /nfs/dbraw/zinc/51/64/69/1358516469.db2.gz XLIQTOOGNWXRKP-LJQANCHMSA-N 1 2 325.456 3.171 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1)C(=O)c1ccccc1 ZINC001085462438 1358516862 /nfs/dbraw/zinc/51/68/62/1358516862.db2.gz FMRFFHYVJNFQMF-SFHVURJKSA-N 1 2 337.398 3.044 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1)C(=O)c1ccccc1 ZINC001085462438 1358516865 /nfs/dbraw/zinc/51/68/65/1358516865.db2.gz FMRFFHYVJNFQMF-SFHVURJKSA-N 1 2 337.398 3.044 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@H]1CC=CCC1 ZINC001085480554 1358532360 /nfs/dbraw/zinc/53/23/60/1358532360.db2.gz OIUXWSVFAQEBHH-LSDHHAIUSA-N 1 2 329.469 3.009 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@H]1CC=CCC1 ZINC001085480554 1358532363 /nfs/dbraw/zinc/53/23/63/1358532363.db2.gz OIUXWSVFAQEBHH-LSDHHAIUSA-N 1 2 329.469 3.009 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1)C(=O)C1CC=CC1 ZINC001085527359 1358565921 /nfs/dbraw/zinc/56/59/21/1358565921.db2.gz YHHIPEHATXCUGM-LJQANCHMSA-N 1 2 342.870 3.190 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1)C(=O)C1CC=CC1 ZINC001085527359 1358565924 /nfs/dbraw/zinc/56/59/24/1358565924.db2.gz YHHIPEHATXCUGM-LJQANCHMSA-N 1 2 342.870 3.190 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)C1CC2(CCC2)C1 ZINC001085767088 1358743146 /nfs/dbraw/zinc/74/31/46/1358743146.db2.gz YUJLEFASUUTYOL-HNNXBMFYSA-N 1 2 343.496 3.233 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)C1CC2(CCC2)C1 ZINC001085767088 1358743150 /nfs/dbraw/zinc/74/31/50/1358743150.db2.gz YUJLEFASUUTYOL-HNNXBMFYSA-N 1 2 343.496 3.233 20 30 EGEDLO C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N)c1ccncc1 ZINC001183828754 1387355141 /nfs/dbraw/zinc/35/51/41/1387355141.db2.gz CUZCEAWRBIGNFD-JXFKEZNVSA-N 1 2 348.450 3.185 20 30 EGEDLO C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N)c1ccncc1 ZINC001183828754 1387355146 /nfs/dbraw/zinc/35/51/46/1387355146.db2.gz CUZCEAWRBIGNFD-JXFKEZNVSA-N 1 2 348.450 3.185 20 30 EGEDLO C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)C2(CC2)C1 ZINC001183833786 1387355891 /nfs/dbraw/zinc/35/58/91/1387355891.db2.gz CJCKEGZANGVXQE-LPHOPBHVSA-N 1 2 337.467 3.314 20 30 EGEDLO C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)C2(CC2)C1 ZINC001183833786 1387355896 /nfs/dbraw/zinc/35/58/96/1387355896.db2.gz CJCKEGZANGVXQE-LPHOPBHVSA-N 1 2 337.467 3.314 20 30 EGEDLO CC(C)(NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N)C1CC1 ZINC001183839520 1387357637 /nfs/dbraw/zinc/35/76/37/1387357637.db2.gz XZXYQGGMIBNZGH-GOSISDBHSA-N 1 2 325.456 3.218 20 30 EGEDLO CC(C)(NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N)C1CC1 ZINC001183839520 1387357640 /nfs/dbraw/zinc/35/76/40/1387357640.db2.gz XZXYQGGMIBNZGH-GOSISDBHSA-N 1 2 325.456 3.218 20 30 EGEDLO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2sccc2F)C1 ZINC001087427356 1359462033 /nfs/dbraw/zinc/46/20/33/1359462033.db2.gz YMRNQZDXHJFWOH-NVXWUHKLSA-N 1 2 342.439 3.108 20 30 EGEDLO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2sccc2F)C1 ZINC001087427356 1359462037 /nfs/dbraw/zinc/46/20/37/1359462037.db2.gz YMRNQZDXHJFWOH-NVXWUHKLSA-N 1 2 342.439 3.108 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2(F)CCCC2)[C@H]1CC ZINC001087632062 1359563830 /nfs/dbraw/zinc/56/38/30/1359563830.db2.gz JBRSLBXCFGJZEK-QWHCGFSZSA-N 1 2 347.272 3.146 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2(F)CCCC2)[C@H]1CC ZINC001087632062 1359563834 /nfs/dbraw/zinc/56/38/34/1359563834.db2.gz JBRSLBXCFGJZEK-QWHCGFSZSA-N 1 2 347.272 3.146 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC2(C)C)[C@H]1CC ZINC001087693596 1359593332 /nfs/dbraw/zinc/59/33/32/1359593332.db2.gz OOZIEHZEVIPFED-HZSPNIEDSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC2(C)C)[C@H]1CC ZINC001087693596 1359593334 /nfs/dbraw/zinc/59/33/34/1359593334.db2.gz OOZIEHZEVIPFED-HZSPNIEDSA-N 1 2 343.309 3.300 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2cccs2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088453210 1359917776 /nfs/dbraw/zinc/91/77/76/1359917776.db2.gz BCVXDQMARARQHG-CJNGLKHVSA-N 1 2 325.437 3.013 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2cccs2)CC[N@H+]1Cc1ccccc1C#N ZINC001088453210 1359917789 /nfs/dbraw/zinc/91/77/89/1359917789.db2.gz BCVXDQMARARQHG-CJNGLKHVSA-N 1 2 325.437 3.013 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C(C)=C2CCCC2)[C@H]1C ZINC001088517635 1359954022 /nfs/dbraw/zinc/95/40/22/1359954022.db2.gz VUJQFEWYUVQFFD-HIFRSBDPSA-N 1 2 341.293 3.365 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCCC2)[C@H]1C ZINC001088517635 1359954025 /nfs/dbraw/zinc/95/40/25/1359954025.db2.gz VUJQFEWYUVQFFD-HIFRSBDPSA-N 1 2 341.293 3.365 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C2=CCCC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088520405 1359955578 /nfs/dbraw/zinc/95/55/78/1359955578.db2.gz LTVPSJNVHXAFGO-BEFAXECRSA-N 1 2 342.870 3.381 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C2=CCCC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088520405 1359955579 /nfs/dbraw/zinc/95/55/79/1359955579.db2.gz LTVPSJNVHXAFGO-BEFAXECRSA-N 1 2 342.870 3.381 20 30 EGEDLO CCc1occc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088547138 1359966200 /nfs/dbraw/zinc/96/62/00/1359966200.db2.gz FYBYEEAYLCXRCL-KDOFPFPSSA-N 1 2 337.423 3.106 20 30 EGEDLO CCc1occc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088547138 1359966204 /nfs/dbraw/zinc/96/62/04/1359966204.db2.gz FYBYEEAYLCXRCL-KDOFPFPSSA-N 1 2 337.423 3.106 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccnn2C(CC)CC)[C@H]1C ZINC001088621083 1359993352 /nfs/dbraw/zinc/99/33/52/1359993352.db2.gz PFTFOVUXIAMBPT-HIFRSBDPSA-N 1 2 338.883 3.189 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccnn2C(CC)CC)[C@H]1C ZINC001088621083 1359993357 /nfs/dbraw/zinc/99/33/57/1359993357.db2.gz PFTFOVUXIAMBPT-HIFRSBDPSA-N 1 2 338.883 3.189 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2F)[C@H]1C ZINC001088721466 1360020991 /nfs/dbraw/zinc/02/09/91/1360020991.db2.gz QFBPUANXNYGSNX-YGRLFVJLSA-N 1 2 331.218 3.424 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2F)[C@H]1C ZINC001088721466 1360020993 /nfs/dbraw/zinc/02/09/93/1360020993.db2.gz QFBPUANXNYGSNX-YGRLFVJLSA-N 1 2 331.218 3.424 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC=CCC2)[C@H]1C ZINC001088797630 1360048153 /nfs/dbraw/zinc/04/81/53/1360048153.db2.gz INQANNQJOXCDFK-KFWWJZLASA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC=CCC2)[C@H]1C ZINC001088797630 1360048156 /nfs/dbraw/zinc/04/81/56/1360048156.db2.gz INQANNQJOXCDFK-KFWWJZLASA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C)c3cccnc23)[C@H]1C ZINC001088754948 1360033082 /nfs/dbraw/zinc/03/30/82/1360033082.db2.gz XONXYBFHBKUZMU-PBHICJAKSA-N 1 2 343.858 3.488 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)c3cccnc23)[C@H]1C ZINC001088754948 1360033086 /nfs/dbraw/zinc/03/30/86/1360033086.db2.gz XONXYBFHBKUZMU-PBHICJAKSA-N 1 2 343.858 3.488 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3ccccc3n2C)[C@H]1C ZINC001088825214 1360065449 /nfs/dbraw/zinc/06/54/49/1360065449.db2.gz VEESZZMCIDMGSZ-HIFRSBDPSA-N 1 2 331.847 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3ccccc3n2C)[C@H]1C ZINC001088825214 1360065453 /nfs/dbraw/zinc/06/54/53/1360065453.db2.gz VEESZZMCIDMGSZ-HIFRSBDPSA-N 1 2 331.847 3.123 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2csc(C(C)(C)C)n2)[C@H]1C ZINC001088921660 1360104395 /nfs/dbraw/zinc/10/43/95/1360104395.db2.gz VSPYQKPROISMPY-NEPJUHHUSA-N 1 2 341.908 3.386 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2csc(C(C)(C)C)n2)[C@H]1C ZINC001088921660 1360104399 /nfs/dbraw/zinc/10/43/99/1360104399.db2.gz VSPYQKPROISMPY-NEPJUHHUSA-N 1 2 341.908 3.386 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ncsc2C(C)C)[C@H]1C ZINC001088974390 1360121447 /nfs/dbraw/zinc/12/14/47/1360121447.db2.gz PLDPDYLYCKQUNQ-NEPJUHHUSA-N 1 2 327.881 3.212 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ncsc2C(C)C)[C@H]1C ZINC001088974390 1360121448 /nfs/dbraw/zinc/12/14/48/1360121448.db2.gz PLDPDYLYCKQUNQ-NEPJUHHUSA-N 1 2 327.881 3.212 20 30 EGEDLO Cc1cc(N2C[C@H](NC(=O)C#CC(C)C)CC[C@@H]2C)nc(C(C)C)[nH+]1 ZINC001089134418 1360193878 /nfs/dbraw/zinc/19/38/78/1360193878.db2.gz BLNODAPMZRKEBU-DLBZAZTESA-N 1 2 342.487 3.041 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](C)N(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001089135712 1360194602 /nfs/dbraw/zinc/19/46/02/1360194602.db2.gz QKFROTQEPUYLLN-SJORKVTESA-N 1 2 342.487 3.185 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089156630 1360211758 /nfs/dbraw/zinc/21/17/58/1360211758.db2.gz TZQICGCVJOXLGQ-GUYCJALGSA-N 1 2 344.503 3.478 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089156631 1360211835 /nfs/dbraw/zinc/21/18/35/1360211835.db2.gz TZQICGCVJOXLGQ-SUMWQHHRSA-N 1 2 344.503 3.478 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CC[C@H](C)N(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001089162331 1360218737 /nfs/dbraw/zinc/21/87/37/1360218737.db2.gz OVENPSMWYIVPKP-RDJZCZTQSA-N 1 2 342.487 3.492 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H](C)[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001089187839 1360238039 /nfs/dbraw/zinc/23/80/39/1360238039.db2.gz NMJOAJXGNXHGDR-HOCLYGCPSA-N 1 2 330.476 3.284 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](C)N(CC)c1nc(C)[nH+]c(C)c1C ZINC001089719262 1360621696 /nfs/dbraw/zinc/62/16/96/1360621696.db2.gz VPILJQJTMGXJPR-CYBMUJFWSA-N 1 2 332.492 3.335 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H](C)N(CC)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001089743722 1360646636 /nfs/dbraw/zinc/64/66/36/1360646636.db2.gz HWSHKNVQHGPZKM-OAHLLOKOSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001089794211 1360667184 /nfs/dbraw/zinc/66/71/84/1360667184.db2.gz CZSHPGLZKXHDEX-DOTOQJQBSA-N 1 2 330.476 3.205 20 30 EGEDLO C#CCCCC(=O)N(CCCNc1cc[nH+]c(C)n1)CC1CCCC1 ZINC001090183154 1360861954 /nfs/dbraw/zinc/86/19/54/1360861954.db2.gz ISKCQDHTCZVNOI-UHFFFAOYSA-N 1 2 342.487 3.409 20 30 EGEDLO C=CCC1(C(=O)NC[C@H]2C[C@@H](Nc3cc[nH+]c(C)n3)C2)CCCC1 ZINC001091353960 1361057248 /nfs/dbraw/zinc/05/72/48/1361057248.db2.gz KPFUPVQLBVIRKR-IYBDPMFKSA-N 1 2 328.460 3.228 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1CC ZINC001091820314 1361228243 /nfs/dbraw/zinc/22/82/43/1361228243.db2.gz FSKMUIXAMWMOTM-OKZBNKHCSA-N 1 2 344.503 3.478 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)C[C@H]2C1 ZINC001091861544 1361237099 /nfs/dbraw/zinc/23/70/99/1361237099.db2.gz JSBZVPZLCCDPSZ-MSOLQXFVSA-N 1 2 342.487 3.043 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001092904927 1361483523 /nfs/dbraw/zinc/48/35/23/1361483523.db2.gz RGGJIYWDRLNPKT-RANZSIQMSA-N 1 2 342.487 3.176 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001093034377 1361512001 /nfs/dbraw/zinc/51/20/01/1361512001.db2.gz HYHGHZCVRJHMPS-OAGGEKHMSA-N 1 2 342.487 3.176 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001093037586 1361514062 /nfs/dbraw/zinc/51/40/62/1361514062.db2.gz QJCQCETXYOGTES-MLHJIOFPSA-N 1 2 342.487 3.230 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCCC(C)(C)C3)CC2)C1 ZINC001093600477 1361654961 /nfs/dbraw/zinc/65/49/61/1361654961.db2.gz XFVIVAPUEFBVBI-MRXNPFEDSA-N 1 2 334.504 3.081 20 30 EGEDLO C#CCC1(C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)CCCCC1 ZINC001093689621 1361676858 /nfs/dbraw/zinc/67/68/58/1361676858.db2.gz REFLCLUAPCEVJY-UHFFFAOYSA-N 1 2 342.487 3.410 20 30 EGEDLO Cc1cc(NCCCCCCNC(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001094954473 1361959917 /nfs/dbraw/zinc/95/99/17/1361959917.db2.gz YNPLFGKEGMFIFT-UHFFFAOYSA-N 1 2 342.487 3.410 20 30 EGEDLO N#CCOc1cccc(C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)c1 ZINC001324130565 1387545988 /nfs/dbraw/zinc/54/59/88/1387545988.db2.gz UXAADYCHOWRSEL-QGZVFWFLSA-N 1 2 325.416 3.118 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H](N(C)c3nc(C)[nH+]c(C)c3C)C2)CC1 ZINC001095156136 1362035734 /nfs/dbraw/zinc/03/57/34/1362035734.db2.gz KACWRYKYDMTJPM-QGZVFWFLSA-N 1 2 342.487 3.185 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095202528 1362051278 /nfs/dbraw/zinc/05/12/78/1362051278.db2.gz OVAURYRTHIDSOM-ZBFHGGJFSA-N 1 2 342.487 3.159 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)oc1C ZINC001095319492 1362098986 /nfs/dbraw/zinc/09/89/86/1362098986.db2.gz JSQHFMQHJBGJKY-QYZOEREBSA-N 1 2 349.434 3.303 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)oc1C ZINC001095319492 1362098988 /nfs/dbraw/zinc/09/89/88/1362098988.db2.gz JSQHFMQHJBGJKY-QYZOEREBSA-N 1 2 349.434 3.303 20 30 EGEDLO CCc1occc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001095369720 1362117347 /nfs/dbraw/zinc/11/73/47/1362117347.db2.gz CVYXIWOYFYGDHK-NEWSRXKRSA-N 1 2 349.434 3.249 20 30 EGEDLO CCc1occc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001095369720 1362117348 /nfs/dbraw/zinc/11/73/48/1362117348.db2.gz CVYXIWOYFYGDHK-NEWSRXKRSA-N 1 2 349.434 3.249 20 30 EGEDLO C=CCCCC(=O)NCC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095376395 1362120428 /nfs/dbraw/zinc/12/04/28/1362120428.db2.gz XEVMMNKATGHEET-UHFFFAOYSA-N 1 2 330.476 3.091 20 30 EGEDLO C=C[C@H](CC(=O)NCCCN(C)c1cc[nH+]c(C)n1)c1ccccc1 ZINC001095571886 1362172656 /nfs/dbraw/zinc/17/26/56/1362172656.db2.gz YCPGYBFTRZZNDC-QGZVFWFLSA-N 1 2 338.455 3.087 20 30 EGEDLO C=C1CC(C)(C(=O)NCCCN(C)c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001095726303 1362214456 /nfs/dbraw/zinc/21/44/56/1362214456.db2.gz RXGWUQGZMWBDTO-UHFFFAOYSA-N 1 2 330.476 3.207 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@]1(C)c1ccccc1)C2 ZINC001095784455 1362227469 /nfs/dbraw/zinc/22/74/69/1362227469.db2.gz SJTCOAJXLJCVLH-AISVETHESA-N 1 2 344.886 3.438 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@]1(C)c1ccccc1)C2 ZINC001095784455 1362227473 /nfs/dbraw/zinc/22/74/73/1362227473.db2.gz SJTCOAJXLJCVLH-AISVETHESA-N 1 2 344.886 3.438 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCOc3ccccc31)C2 ZINC001096175262 1362415276 /nfs/dbraw/zinc/41/52/76/1362415276.db2.gz FRPFEJPWDLJSSF-SIXLDLHFSA-N 1 2 346.858 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCOc3ccccc31)C2 ZINC001096175262 1362415280 /nfs/dbraw/zinc/41/52/80/1362415280.db2.gz FRPFEJPWDLJSSF-SIXLDLHFSA-N 1 2 346.858 3.027 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CCCN(c3cc[nH+]c(C)n3)C2)CCCC1 ZINC001096192509 1362423615 /nfs/dbraw/zinc/42/36/15/1362423615.db2.gz ZGVNXAVLMARVDG-INIZCTEOSA-N 1 2 328.460 3.007 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CCCN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC001096208814 1362432537 /nfs/dbraw/zinc/43/25/37/1362432537.db2.gz PVDDVVUZZGHVKO-INIZCTEOSA-N 1 2 342.487 3.105 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CCN(c3nc(C)[nH+]c(C)c3C)C2)CCCC1 ZINC001096398046 1362487544 /nfs/dbraw/zinc/48/75/44/1362487544.db2.gz ALKSBGQLJYBXOZ-QGZVFWFLSA-N 1 2 342.487 3.233 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1CC12CCN(c1cc[nH+]c(C)n1)CC2 ZINC001096527322 1362556103 /nfs/dbraw/zinc/55/61/03/1362556103.db2.gz JXCYEENLUHWZJX-AWEZNQCLSA-N 1 2 348.878 3.039 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096978649 1362802439 /nfs/dbraw/zinc/80/24/39/1362802439.db2.gz KPBLYMJGBVGFDB-HNNXBMFYSA-N 1 2 328.460 3.278 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H]2CN(c3nc(C)[nH+]c(C)c3C)CC[C@@H]21 ZINC001097136181 1362860914 /nfs/dbraw/zinc/86/09/14/1362860914.db2.gz FXGLVDDWDQKDGN-ROUUACIJSA-N 1 2 342.487 3.185 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1ccsc1)C2 ZINC001097330065 1362936233 /nfs/dbraw/zinc/93/62/33/1362936233.db2.gz QZRVTRPHHUXUOW-JKJDWNRSSA-N 1 2 336.888 3.326 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1ccsc1)C2 ZINC001097330065 1362936235 /nfs/dbraw/zinc/93/62/35/1362936235.db2.gz QZRVTRPHHUXUOW-JKJDWNRSSA-N 1 2 336.888 3.326 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCCN1c1nc(C)[nH+]c(C)c1C ZINC001097458653 1363002897 /nfs/dbraw/zinc/00/28/97/1363002897.db2.gz NBTPBTLKKDLZJM-XLIONFOSSA-N 1 2 344.503 3.479 20 30 EGEDLO C=CCC1(C(=O)N[C@@H](C)[C@H]2CCCN(c3cc[nH+]c(C)n3)C2)CCC1 ZINC001097542986 1363050791 /nfs/dbraw/zinc/05/07/91/1363050791.db2.gz NIFYEFUOCBYULL-RDJZCZTQSA-N 1 2 342.487 3.253 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H](C)[C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001097544085 1363052167 /nfs/dbraw/zinc/05/21/67/1363052167.db2.gz YOGBIIKARJBKDK-DOTOQJQBSA-N 1 2 342.487 3.253 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([NH2+]Cc2nc(C3CCCC3)no2)C1 ZINC001185071348 1387608412 /nfs/dbraw/zinc/60/84/12/1387608412.db2.gz TWMDWGOWBPXTCA-GDBMZVCRSA-N 1 2 346.475 3.020 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]13C[C@@H]1CCCC3)C2 ZINC001097808885 1363127180 /nfs/dbraw/zinc/12/71/80/1363127180.db2.gz FZRKQSVBMDORLE-MOFJNDHNSA-N 1 2 349.478 3.360 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]13C[C@@H]1CCCC3)C2 ZINC001097808885 1363127182 /nfs/dbraw/zinc/12/71/82/1363127182.db2.gz FZRKQSVBMDORLE-MOFJNDHNSA-N 1 2 349.478 3.360 20 30 EGEDLO Cc1cc(N[C@@H](C)CNC(=O)CC#Cc2ccccc2)nc(C2CC2)[nH+]1 ZINC001097877924 1363147551 /nfs/dbraw/zinc/14/75/51/1363147551.db2.gz MHJDTDZLKRKQAW-INIZCTEOSA-N 1 2 348.450 3.021 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001098197803 1363253040 /nfs/dbraw/zinc/25/30/40/1363253040.db2.gz HNOQRNSFEMOPQB-DZGCQCFKSA-N 1 2 330.476 3.183 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H](C)Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001098242669 1363267128 /nfs/dbraw/zinc/26/71/28/1363267128.db2.gz RFAJLPFZPDSUFX-AWEZNQCLSA-N 1 2 342.487 3.327 20 30 EGEDLO C=CCC1(C(=O)NC[C@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001098246064 1363268662 /nfs/dbraw/zinc/26/86/62/1363268662.db2.gz NZZZWKPUIGYOPP-AWEZNQCLSA-N 1 2 328.460 3.325 20 30 EGEDLO Cc1cc(C)c(C(=O)NC[C@H](C)Nc2cccc(F)c2C#N)c(C)[nH+]1 ZINC001098431585 1363324416 /nfs/dbraw/zinc/32/44/16/1363324416.db2.gz RUUCOLQUQNSDSF-ZDUSSCGKSA-N 1 2 340.402 3.248 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)n1c(C)ccc1C)C2 ZINC001098460646 1363331953 /nfs/dbraw/zinc/33/19/53/1363331953.db2.gz HTQFNDDYUFPARI-VQHPVUNQSA-N 1 2 335.879 3.140 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)n1c(C)ccc1C)C2 ZINC001098460646 1363331965 /nfs/dbraw/zinc/33/19/65/1363331965.db2.gz HTQFNDDYUFPARI-VQHPVUNQSA-N 1 2 335.879 3.140 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H](CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001098553898 1363373230 /nfs/dbraw/zinc/37/32/30/1363373230.db2.gz AWHYIOXEPQRQEF-MRXNPFEDSA-N 1 2 342.487 3.281 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001098720314 1363449024 /nfs/dbraw/zinc/44/90/24/1363449024.db2.gz YUDUYNSROHPHFB-KDOFPFPSSA-N 1 2 344.503 3.431 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(=C)Cl ZINC001098960352 1363542089 /nfs/dbraw/zinc/54/20/89/1363542089.db2.gz MZYVXOLWKVWKCY-JKSUJKDBSA-N 1 2 342.911 3.327 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC(=C)Cl ZINC001098960352 1363542093 /nfs/dbraw/zinc/54/20/93/1363542093.db2.gz MZYVXOLWKVWKCY-JKSUJKDBSA-N 1 2 342.911 3.327 20 30 EGEDLO C=CCCO[C@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC(=C)Cl ZINC001098960349 1363542102 /nfs/dbraw/zinc/54/21/02/1363542102.db2.gz MZYVXOLWKVWKCY-CVEARBPZSA-N 1 2 342.911 3.327 20 30 EGEDLO C=CCCO[C@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC(=C)Cl ZINC001098960349 1363542108 /nfs/dbraw/zinc/54/21/08/1363542108.db2.gz MZYVXOLWKVWKCY-CVEARBPZSA-N 1 2 342.911 3.327 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ccncc1Cl ZINC001098975059 1363549176 /nfs/dbraw/zinc/54/91/76/1363549176.db2.gz CIRUNRNRIVQCSE-ZFWWWQNUSA-N 1 2 348.878 3.001 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ccncc1Cl ZINC001098975059 1363549177 /nfs/dbraw/zinc/54/91/77/1363549177.db2.gz CIRUNRNRIVQCSE-ZFWWWQNUSA-N 1 2 348.878 3.001 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1cccc(Cl)n1 ZINC001098975631 1363550369 /nfs/dbraw/zinc/55/03/69/1363550369.db2.gz KHYOJLQNKJIMTM-HIFRSBDPSA-N 1 2 348.878 3.001 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1cccc(Cl)n1 ZINC001098975631 1363550372 /nfs/dbraw/zinc/55/03/72/1363550372.db2.gz KHYOJLQNKJIMTM-HIFRSBDPSA-N 1 2 348.878 3.001 20 30 EGEDLO CC(C)c1ocnc1C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)C#N ZINC001098981500 1363554732 /nfs/dbraw/zinc/55/47/32/1363554732.db2.gz CTDMGQUSYSQAJJ-CABCVRRESA-N 1 2 346.475 3.064 20 30 EGEDLO CC(C)c1ocnc1C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)C#N ZINC001098981500 1363554734 /nfs/dbraw/zinc/55/47/34/1363554734.db2.gz CTDMGQUSYSQAJJ-CABCVRRESA-N 1 2 346.475 3.064 20 30 EGEDLO CC1(C)CC[C@@H](CNC(=O)C#CC2CC2)[N@H+](CC=C(Cl)Cl)C1 ZINC001099070540 1363607476 /nfs/dbraw/zinc/60/74/76/1363607476.db2.gz ZEJVEGRHZYCDBZ-AWEZNQCLSA-N 1 2 343.298 3.326 20 30 EGEDLO CC1(C)CC[C@@H](CNC(=O)C#CC2CC2)[N@@H+](CC=C(Cl)Cl)C1 ZINC001099070540 1363607479 /nfs/dbraw/zinc/60/74/79/1363607479.db2.gz ZEJVEGRHZYCDBZ-AWEZNQCLSA-N 1 2 343.298 3.326 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](OC)C1CCC1 ZINC001099159380 1363663614 /nfs/dbraw/zinc/66/36/14/1363663614.db2.gz RIMMBYYUFVSESL-HZPDHXFCSA-N 1 2 342.911 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](OC)C1CCC1 ZINC001099159380 1363663616 /nfs/dbraw/zinc/66/36/16/1363663616.db2.gz RIMMBYYUFVSESL-HZPDHXFCSA-N 1 2 342.911 3.161 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nccn1C ZINC001099188584 1363680552 /nfs/dbraw/zinc/68/05/52/1363680552.db2.gz HMLOKZBMBFAGMZ-IRXDYDNUSA-N 1 2 346.519 3.129 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nccn1C ZINC001099188584 1363680553 /nfs/dbraw/zinc/68/05/53/1363680553.db2.gz HMLOKZBMBFAGMZ-IRXDYDNUSA-N 1 2 346.519 3.129 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ncccn1 ZINC001099194924 1363686155 /nfs/dbraw/zinc/68/61/55/1363686155.db2.gz VEBVGMAEVILQJT-SJORKVTESA-N 1 2 344.503 3.186 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ncccn1 ZINC001099194924 1363686157 /nfs/dbraw/zinc/68/61/57/1363686157.db2.gz VEBVGMAEVILQJT-SJORKVTESA-N 1 2 344.503 3.186 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ncc(C)cn1 ZINC001099202665 1363690135 /nfs/dbraw/zinc/69/01/35/1363690135.db2.gz DGJIXLVUZVSPER-KRWDZBQOSA-N 1 2 344.503 3.248 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ncc(C)cn1 ZINC001099202665 1363690138 /nfs/dbraw/zinc/69/01/38/1363690138.db2.gz DGJIXLVUZVSPER-KRWDZBQOSA-N 1 2 344.503 3.248 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ccn(CC)n1 ZINC001099203925 1363691468 /nfs/dbraw/zinc/69/14/68/1363691468.db2.gz TZMWLNQDKWAZSO-SFHVURJKSA-N 1 2 346.519 3.366 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ccn(CC)n1 ZINC001099203925 1363691474 /nfs/dbraw/zinc/69/14/74/1363691474.db2.gz TZMWLNQDKWAZSO-SFHVURJKSA-N 1 2 346.519 3.366 20 30 EGEDLO C=CCC1(C(=O)NCCN(C)c2nc(C)[nH+]c(C)c2C)CCCCC1 ZINC001100138959 1364024098 /nfs/dbraw/zinc/02/40/98/1364024098.db2.gz SBTCQXXSCGPAHV-UHFFFAOYSA-N 1 2 344.503 3.481 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCN(CC)c1nc(C)[nH+]c2c1CCCC2 ZINC001100676729 1364213757 /nfs/dbraw/zinc/21/37/57/1364213757.db2.gz PGUKJUJFDDBFON-UHFFFAOYSA-N 1 2 344.503 3.209 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001100896508 1364319384 /nfs/dbraw/zinc/31/93/84/1364319384.db2.gz ZDMWAYRGKYCXLY-DLBZAZTESA-N 1 2 330.476 3.089 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001100915290 1364329307 /nfs/dbraw/zinc/32/93/07/1364329307.db2.gz PNDUUDXKCDWXCR-INIZCTEOSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001101040531 1364385371 /nfs/dbraw/zinc/38/53/71/1364385371.db2.gz SRKPGPMBNCOKRT-HNNXBMFYSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001101040081 1364385749 /nfs/dbraw/zinc/38/57/49/1364385749.db2.gz JAGICSPIWAJSSG-INIZCTEOSA-N 1 2 344.503 3.453 20 30 EGEDLO CCCN(CCNC(=O)[C@@H](C)C#N)c1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001101109375 1364416062 /nfs/dbraw/zinc/41/60/62/1364416062.db2.gz SKKKORRJKUIFQP-HNNXBMFYSA-N 1 2 345.491 3.216 20 30 EGEDLO C=CCCCC(=O)NCCN(CCC)c1nc(C)[nH+]c2c1CCCC2 ZINC001101233814 1364478956 /nfs/dbraw/zinc/47/89/56/1364478956.db2.gz HKYUQSASCUIPCX-UHFFFAOYSA-N 1 2 344.503 3.353 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H](CC)C(C)(C)C)c1nccn12 ZINC001101650818 1364673639 /nfs/dbraw/zinc/67/36/39/1364673639.db2.gz CFBUYBOGUJJGGE-CVEARBPZSA-N 1 2 344.503 3.103 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)CCCCC)c1nccn12 ZINC001101652388 1364673920 /nfs/dbraw/zinc/67/39/20/1364673920.db2.gz GDMCXKAWAMLCFM-MRXNPFEDSA-N 1 2 344.503 3.248 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N(C)CCNc1cc(C)[nH+]c(C(C)C)n1)OCC ZINC001101799196 1364731603 /nfs/dbraw/zinc/73/16/03/1364731603.db2.gz ONPYUYLNMASINZ-MRXNPFEDSA-N 1 2 348.491 3.150 20 30 EGEDLO C=C[C@H](CC)CC(=O)N(CCC)[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102256729 1364970134 /nfs/dbraw/zinc/97/01/34/1364970134.db2.gz CTBMFTSSOSGQGX-SJORKVTESA-N 1 2 330.476 3.205 20 30 EGEDLO C=CCOCC(=O)NC[C@@H](CC)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001102991972 1365329491 /nfs/dbraw/zinc/32/94/91/1365329491.db2.gz GMAJGPBKQIPABJ-OAHLLOKOSA-N 1 2 348.491 3.233 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001104098881 1365910693 /nfs/dbraw/zinc/91/06/93/1365910693.db2.gz FYTPBHBOMYSRDR-CYBMUJFWSA-N 1 2 330.476 3.429 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC(CCN(C)c2cc[nH+]c(C)n2)CC1 ZINC001105100809 1366328391 /nfs/dbraw/zinc/32/83/91/1366328391.db2.gz LDYBFAMDVXLWJD-KRWDZBQOSA-N 1 2 344.503 3.452 20 30 EGEDLO C=CCCC(=O)N1CCC(OC2C[NH+](Cc3ccc(C)cc3)C2)CC1 ZINC001105696198 1366578593 /nfs/dbraw/zinc/57/85/93/1366578593.db2.gz YBTBESXJJNNGIM-UHFFFAOYSA-N 1 2 342.483 3.153 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109153504 1366979629 /nfs/dbraw/zinc/97/96/29/1366979629.db2.gz PRJGWQIQABSFMW-PVAVHDDUSA-N 1 2 345.393 3.182 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109153504 1366979634 /nfs/dbraw/zinc/97/96/34/1366979634.db2.gz PRJGWQIQABSFMW-PVAVHDDUSA-N 1 2 345.393 3.182 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1F ZINC001109166597 1366985204 /nfs/dbraw/zinc/98/52/04/1366985204.db2.gz XYWRKKACGGNLMU-NJAFHUGGSA-N 1 2 346.421 3.380 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1F ZINC001109166597 1366985208 /nfs/dbraw/zinc/98/52/08/1366985208.db2.gz XYWRKKACGGNLMU-NJAFHUGGSA-N 1 2 346.421 3.380 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H](C)CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001109185542 1366992253 /nfs/dbraw/zinc/99/22/53/1366992253.db2.gz ZNBTXNANTULSTQ-DZGCQCFKSA-N 1 2 330.476 3.206 20 30 EGEDLO CCC[C@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001189462311 1367029558 /nfs/dbraw/zinc/02/95/58/1367029558.db2.gz VGTUQPOFXIEAAC-KSSFIOAISA-N 1 2 331.435 3.166 20 30 EGEDLO CCC[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001189462311 1367029565 /nfs/dbraw/zinc/02/95/65/1367029565.db2.gz VGTUQPOFXIEAAC-KSSFIOAISA-N 1 2 331.435 3.166 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H](C)CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001109267955 1367034272 /nfs/dbraw/zinc/03/42/72/1367034272.db2.gz OVHTZTFRLZEXLX-CQSZACIVSA-N 1 2 330.476 3.206 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(Cc3ccccc3)CC1)C2 ZINC001109413662 1367111013 /nfs/dbraw/zinc/11/10/13/1367111013.db2.gz ALPDLZFQVYBDRQ-SQNIBIBYSA-N 1 2 344.886 3.483 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(Cc3ccccc3)CC1)C2 ZINC001109413662 1367111017 /nfs/dbraw/zinc/11/10/17/1367111017.db2.gz ALPDLZFQVYBDRQ-SQNIBIBYSA-N 1 2 344.886 3.483 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)OCc1ccccc1)C2 ZINC001109513709 1367170774 /nfs/dbraw/zinc/17/07/74/1367170774.db2.gz WOWIJVIHLPJTIG-RANZSIQMSA-N 1 2 348.874 3.066 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)OCc1ccccc1)C2 ZINC001109513709 1367170779 /nfs/dbraw/zinc/17/07/79/1367170779.db2.gz WOWIJVIHLPJTIG-RANZSIQMSA-N 1 2 348.874 3.066 20 30 EGEDLO C[C@H](CC(F)F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109537778 1367185893 /nfs/dbraw/zinc/18/58/93/1367185893.db2.gz XUWORKOAGQINSF-VZEFYGNVSA-N 1 2 347.409 3.071 20 30 EGEDLO C[C@H](CC(F)F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109537778 1367185899 /nfs/dbraw/zinc/18/58/99/1367185899.db2.gz XUWORKOAGQINSF-VZEFYGNVSA-N 1 2 347.409 3.071 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(F)c1 ZINC001109601990 1367225184 /nfs/dbraw/zinc/22/51/84/1367225184.db2.gz XFFMHFITTIYPEA-COXVUDFISA-N 1 2 334.410 3.399 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(F)c1 ZINC001109601990 1367225188 /nfs/dbraw/zinc/22/51/88/1367225188.db2.gz XFFMHFITTIYPEA-COXVUDFISA-N 1 2 334.410 3.399 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@H+](C)Cc2csc(C)n2)C1 ZINC001190353949 1367235486 /nfs/dbraw/zinc/23/54/86/1367235486.db2.gz FHGSCUVNAGGRLI-QGZVFWFLSA-N 1 2 333.501 3.253 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2csc(C)n2)C1 ZINC001190353949 1367235489 /nfs/dbraw/zinc/23/54/89/1367235489.db2.gz FHGSCUVNAGGRLI-QGZVFWFLSA-N 1 2 333.501 3.253 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C)s2)C1 ZINC001190354720 1367237288 /nfs/dbraw/zinc/23/72/88/1367237288.db2.gz OHAJOYPHYMCWJE-MRXNPFEDSA-N 1 2 333.501 3.253 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C)s2)C1 ZINC001190354720 1367237297 /nfs/dbraw/zinc/23/72/97/1367237297.db2.gz OHAJOYPHYMCWJE-MRXNPFEDSA-N 1 2 333.501 3.253 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cncc(F)c2)CC1 ZINC001109675846 1367275497 /nfs/dbraw/zinc/27/54/97/1367275497.db2.gz JNHZTIQEQLZUCD-SQNIBIBYSA-N 1 2 343.446 3.189 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cncc(F)c2)CC1 ZINC001109675846 1367275500 /nfs/dbraw/zinc/27/55/00/1367275500.db2.gz JNHZTIQEQLZUCD-SQNIBIBYSA-N 1 2 343.446 3.189 20 30 EGEDLO CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CC1 ZINC001109692320 1367284473 /nfs/dbraw/zinc/28/44/73/1367284473.db2.gz SUCYGNNRFXGCHP-QYZOEREBSA-N 1 2 337.467 3.360 20 30 EGEDLO CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CC1 ZINC001109692320 1367284477 /nfs/dbraw/zinc/28/44/77/1367284477.db2.gz SUCYGNNRFXGCHP-QYZOEREBSA-N 1 2 337.467 3.360 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@]1(C)C[N@H+](Cc2ccsc2)CCO1 ZINC001108115489 1367289427 /nfs/dbraw/zinc/28/94/27/1367289427.db2.gz RHHIMWRMUFKMPL-SFHVURJKSA-N 1 2 336.501 3.058 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@]1(C)C[N@@H+](Cc2ccsc2)CCO1 ZINC001108115489 1367289430 /nfs/dbraw/zinc/28/94/30/1367289430.db2.gz RHHIMWRMUFKMPL-SFHVURJKSA-N 1 2 336.501 3.058 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001109769462 1367311811 /nfs/dbraw/zinc/31/18/11/1367311811.db2.gz DPHCXFUAXGESLY-IKGGRYGDSA-N 1 2 331.435 3.045 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001109769462 1367311815 /nfs/dbraw/zinc/31/18/15/1367311815.db2.gz DPHCXFUAXGESLY-IKGGRYGDSA-N 1 2 331.435 3.045 20 30 EGEDLO C=C1CCC(C(=O)NC[C@]2(C)C[N@H+](Cc3ccsc3)CCO2)CC1 ZINC001108185737 1367329082 /nfs/dbraw/zinc/32/90/82/1367329082.db2.gz DKOJYVKIXLYVBB-LJQANCHMSA-N 1 2 348.512 3.202 20 30 EGEDLO C=C1CCC(C(=O)NC[C@]2(C)C[N@@H+](Cc3ccsc3)CCO2)CC1 ZINC001108185737 1367329086 /nfs/dbraw/zinc/32/90/86/1367329086.db2.gz DKOJYVKIXLYVBB-LJQANCHMSA-N 1 2 348.512 3.202 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001108328219 1367392815 /nfs/dbraw/zinc/39/28/15/1367392815.db2.gz DBYFBBYGEMZNRI-AZUAARDMSA-N 1 2 336.520 3.069 20 30 EGEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001108328219 1367392819 /nfs/dbraw/zinc/39/28/19/1367392819.db2.gz DBYFBBYGEMZNRI-AZUAARDMSA-N 1 2 336.520 3.069 20 30 EGEDLO C#Cc1ccccc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001191100936 1367423774 /nfs/dbraw/zinc/42/37/74/1367423774.db2.gz NRJFFYRJPCTYNT-DHZHZOJOSA-N 1 2 330.431 3.139 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2CCC(CCCC)CC2)C1 ZINC001108382622 1367428167 /nfs/dbraw/zinc/42/81/67/1367428167.db2.gz OYHPNKZYHYKKNJ-QLOJAFMTSA-N 1 2 336.520 3.376 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2CCC(CCCC)CC2)C1 ZINC001108382622 1367428170 /nfs/dbraw/zinc/42/81/70/1367428170.db2.gz OYHPNKZYHYKKNJ-QLOJAFMTSA-N 1 2 336.520 3.376 20 30 EGEDLO CC(C)c1cc(NC2(CNC(=O)C#CC3CC3)CC2)nc(C(C)C)[nH+]1 ZINC001110131644 1367515480 /nfs/dbraw/zinc/51/54/80/1367515480.db2.gz WJWUKJZXMLJLSM-UHFFFAOYSA-N 1 2 340.471 3.198 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2cnc(Cl)s2)C1 ZINC001191840563 1367608776 /nfs/dbraw/zinc/60/87/76/1367608776.db2.gz YKZGDAFUBVSKQR-ZDUSSCGKSA-N 1 2 339.892 3.023 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2cnc(Cl)s2)C1 ZINC001191840563 1367608778 /nfs/dbraw/zinc/60/87/78/1367608778.db2.gz YKZGDAFUBVSKQR-ZDUSSCGKSA-N 1 2 339.892 3.023 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nsc2ccccc21 ZINC001110379178 1367678953 /nfs/dbraw/zinc/67/89/53/1367678953.db2.gz YZYPVIVLIFTAQL-UNEWFSDZSA-N 1 2 341.480 3.484 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nsc2ccccc21 ZINC001110379178 1367678959 /nfs/dbraw/zinc/67/89/59/1367678959.db2.gz YZYPVIVLIFTAQL-UNEWFSDZSA-N 1 2 341.480 3.484 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2nnc(CC(C)C)o2)C1 ZINC001192094909 1367686218 /nfs/dbraw/zinc/68/62/18/1367686218.db2.gz XRHRYEIPXKBNKS-JKSUJKDBSA-N 1 2 348.491 3.218 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2nnc(CC(C)C)o2)C1 ZINC001192094909 1367686222 /nfs/dbraw/zinc/68/62/22/1367686222.db2.gz XRHRYEIPXKBNKS-JKSUJKDBSA-N 1 2 348.491 3.218 20 30 EGEDLO C=CC[C@H](C(=O)N[C@@H](C)CN(C)c1cc[nH+]c(C)n1)c1ccccc1 ZINC001108979660 1367697614 /nfs/dbraw/zinc/69/76/14/1367697614.db2.gz QQCLBFJVKGURCU-YJBOKZPZSA-N 1 2 338.455 3.086 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H](C)CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001109121164 1367780814 /nfs/dbraw/zinc/78/08/14/1367780814.db2.gz QFJKFPJXTYIDIG-CQSZACIVSA-N 1 2 330.476 3.206 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncoc1C(C)C ZINC001110609447 1367871740 /nfs/dbraw/zinc/87/17/40/1367871740.db2.gz GEEQCQHOQRPLMR-INMHGKMJSA-N 1 2 331.460 3.376 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncoc1C(C)C ZINC001110609447 1367871744 /nfs/dbraw/zinc/87/17/44/1367871744.db2.gz GEEQCQHOQRPLMR-INMHGKMJSA-N 1 2 331.460 3.376 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@H](CNc2cc[nH+]c(C)n2)C2CCCC2)cc1 ZINC001110677616 1367920792 /nfs/dbraw/zinc/92/07/92/1367920792.db2.gz REPVDDGQMJNAPJ-LJQANCHMSA-N 1 2 348.450 3.167 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1F ZINC001110897372 1368070815 /nfs/dbraw/zinc/07/08/15/1368070815.db2.gz KNYCFGUQRJSNAA-BMFZPTHFSA-N 1 2 334.410 3.399 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1F ZINC001110897372 1368070818 /nfs/dbraw/zinc/07/08/18/1368070818.db2.gz KNYCFGUQRJSNAA-BMFZPTHFSA-N 1 2 334.410 3.399 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)c(C)s1 ZINC001110897102 1368071509 /nfs/dbraw/zinc/07/15/09/1368071509.db2.gz AGERFTZLPDPDFI-KFWWJZLASA-N 1 2 333.501 3.194 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)c(C)s1 ZINC001110897102 1368071517 /nfs/dbraw/zinc/07/15/17/1368071517.db2.gz AGERFTZLPDPDFI-KFWWJZLASA-N 1 2 333.501 3.194 20 30 EGEDLO C#CCCCCCC(=O)NC[C@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC001110952305 1368119627 /nfs/dbraw/zinc/11/96/27/1368119627.db2.gz JSMGICBFMIQOJA-FQEVSTJZSA-N 1 2 342.487 3.091 20 30 EGEDLO C=CCCCC(=O)NC[C@@]1(C)CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001110960246 1368124880 /nfs/dbraw/zinc/12/48/80/1368124880.db2.gz NRAXFHXLVWDFTF-HXUWFJFHSA-N 1 2 344.503 3.481 20 30 EGEDLO C#CCCCC(=O)N1CC[C@@H]([C@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001111215624 1368194559 /nfs/dbraw/zinc/19/45/59/1368194559.db2.gz GXRYDMOHUAJXBK-DOTOQJQBSA-N 1 2 340.471 3.115 20 30 EGEDLO C=CCC(CC=C)C(=O)N1C[C@H](C)[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001111251861 1368219533 /nfs/dbraw/zinc/21/95/33/1368219533.db2.gz VJBGHNNXBLYVMC-YOEHRIQHSA-N 1 2 328.460 3.060 20 30 EGEDLO CCCCC(=O)N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC001194883303 1368341139 /nfs/dbraw/zinc/34/11/39/1368341139.db2.gz OEVJREZHELDURW-UHFFFAOYSA-N 1 2 332.875 3.416 20 30 EGEDLO CCCCC(=O)N1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC001194883303 1368341143 /nfs/dbraw/zinc/34/11/43/1368341143.db2.gz OEVJREZHELDURW-UHFFFAOYSA-N 1 2 332.875 3.416 20 30 EGEDLO CCC[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001195383909 1368431214 /nfs/dbraw/zinc/43/12/14/1368431214.db2.gz RVVBVIVVNVYYKL-OAHLLOKOSA-N 1 2 331.435 3.168 20 30 EGEDLO CCC[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001195383909 1368431217 /nfs/dbraw/zinc/43/12/17/1368431217.db2.gz RVVBVIVVNVYYKL-OAHLLOKOSA-N 1 2 331.435 3.168 20 30 EGEDLO C#CCCCCC(=O)NCC1(Nc2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001111784078 1368460205 /nfs/dbraw/zinc/46/02/05/1368460205.db2.gz TURQIDZXYGBOGR-UHFFFAOYSA-N 1 2 340.471 3.307 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[N@H+](Cc2cccc(Cl)n2)CC1 ZINC001195989933 1368529024 /nfs/dbraw/zinc/52/90/24/1368529024.db2.gz HTDBCGNIOCMBOY-UHFFFAOYSA-N 1 2 335.879 3.372 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[N@@H+](Cc2cccc(Cl)n2)CC1 ZINC001195989933 1368529029 /nfs/dbraw/zinc/52/90/29/1368529029.db2.gz HTDBCGNIOCMBOY-UHFFFAOYSA-N 1 2 335.879 3.372 20 30 EGEDLO CC[C@@H](CC(F)F)C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC001196123900 1368552505 /nfs/dbraw/zinc/55/25/05/1368552505.db2.gz DZFDFNGCTWNFDE-SFHVURJKSA-N 1 2 348.437 3.254 20 30 EGEDLO CC[C@@H](CC(F)F)C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001196123900 1368552506 /nfs/dbraw/zinc/55/25/06/1368552506.db2.gz DZFDFNGCTWNFDE-SFHVURJKSA-N 1 2 348.437 3.254 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001112013462 1368617099 /nfs/dbraw/zinc/61/70/99/1368617099.db2.gz IXHGOVRQQCHPQA-QGZVFWFLSA-N 1 2 344.503 3.479 20 30 EGEDLO CC(C)c1cc(N(C)CCCN(C)C(=O)[C@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001112061811 1368640990 /nfs/dbraw/zinc/64/09/90/1368640990.db2.gz OIHNZMVMHYWXMF-OAHLLOKOSA-N 1 2 345.491 3.168 20 30 EGEDLO C=CCC1(C(=O)N(C)CCCN(C)c2cc[nH+]c(C)n2)CCCC1 ZINC001112097965 1368657379 /nfs/dbraw/zinc/65/73/79/1368657379.db2.gz XBFNIBLZEQGEND-UHFFFAOYSA-N 1 2 330.476 3.206 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2cc(C3CC3)no2)CC1 ZINC001196831938 1368693745 /nfs/dbraw/zinc/69/37/45/1368693745.db2.gz UUFWDAMIEWRSCY-GJZGRUSLSA-N 1 2 331.460 3.045 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2cc(C3CC3)no2)CC1 ZINC001196831938 1368693748 /nfs/dbraw/zinc/69/37/48/1368693748.db2.gz UUFWDAMIEWRSCY-GJZGRUSLSA-N 1 2 331.460 3.045 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001196853111 1368698669 /nfs/dbraw/zinc/69/86/69/1368698669.db2.gz HDRJRIQPBJRUOE-CABCVRRESA-N 1 2 331.485 3.112 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001196853111 1368698672 /nfs/dbraw/zinc/69/86/72/1368698672.db2.gz HDRJRIQPBJRUOE-CABCVRRESA-N 1 2 331.485 3.112 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@H+](Cc2cccc(Cl)n2)CC1 ZINC001196901574 1368710444 /nfs/dbraw/zinc/71/04/44/1368710444.db2.gz PMNNFLYTNSDKHQ-HNNXBMFYSA-N 1 2 335.879 3.372 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@@H+](Cc2cccc(Cl)n2)CC1 ZINC001196901574 1368710448 /nfs/dbraw/zinc/71/04/48/1368710448.db2.gz PMNNFLYTNSDKHQ-HNNXBMFYSA-N 1 2 335.879 3.372 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001196901555 1368710569 /nfs/dbraw/zinc/71/05/69/1368710569.db2.gz PAMJFAAAPCLEND-MRXNPFEDSA-N 1 2 343.446 3.334 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001196901555 1368710571 /nfs/dbraw/zinc/71/05/71/1368710571.db2.gz PAMJFAAAPCLEND-MRXNPFEDSA-N 1 2 343.446 3.334 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@H+](Cc2ccnc(Cl)c2)CC1 ZINC001196901614 1368710859 /nfs/dbraw/zinc/71/08/59/1368710859.db2.gz QGOCCKCVUBVXLC-HNNXBMFYSA-N 1 2 335.879 3.372 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@@H+](Cc2ccnc(Cl)c2)CC1 ZINC001196901614 1368710862 /nfs/dbraw/zinc/71/08/62/1368710862.db2.gz QGOCCKCVUBVXLC-HNNXBMFYSA-N 1 2 335.879 3.372 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC(CC)(Nc2cc[nH+]c(C)n2)CC1 ZINC001112210419 1368719938 /nfs/dbraw/zinc/71/99/38/1368719938.db2.gz NANLUOHJHRMTHH-CABCVRRESA-N 1 2 330.476 3.426 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@]2(CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001112219664 1368728597 /nfs/dbraw/zinc/72/85/97/1368728597.db2.gz WKFHUKWKWHYPES-OXJNMPFZSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(F)C(F)(F)F)C2 ZINC001112361742 1368791661 /nfs/dbraw/zinc/79/16/61/1368791661.db2.gz DDQSGWZIMHLRCK-YDHLFZDLSA-N 1 2 336.373 3.071 20 30 EGEDLO C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](F)C(F)(F)F)C2 ZINC001112361742 1368791667 /nfs/dbraw/zinc/79/16/67/1368791667.db2.gz DDQSGWZIMHLRCK-YDHLFZDLSA-N 1 2 336.373 3.071 20 30 EGEDLO CC(C)C[C@H](C)C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001197605896 1368852864 /nfs/dbraw/zinc/85/28/64/1368852864.db2.gz KKFPKUHITCEMEB-INIZCTEOSA-N 1 2 345.462 3.414 20 30 EGEDLO CC(C)C[C@H](C)C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001197605896 1368852869 /nfs/dbraw/zinc/85/28/69/1368852869.db2.gz KKFPKUHITCEMEB-INIZCTEOSA-N 1 2 345.462 3.414 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@H](C)C1 ZINC001112486834 1368883979 /nfs/dbraw/zinc/88/39/79/1368883979.db2.gz DXVKGQSYRQVYDG-DYVFJYSZSA-N 1 2 330.476 3.232 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@H](C)C1 ZINC001112499055 1368895784 /nfs/dbraw/zinc/89/57/84/1368895784.db2.gz FACJNTOWODNILE-WBMJQRKESA-N 1 2 330.476 3.088 20 30 EGEDLO C#CCCCC(=O)N(C)[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001112623494 1368952785 /nfs/dbraw/zinc/95/27/85/1368952785.db2.gz RWYGNRRFLFDBSQ-GOSISDBHSA-N 1 2 342.487 3.023 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CCOc2ccccc2C)CC1 ZINC001198106443 1368961167 /nfs/dbraw/zinc/96/11/67/1368961167.db2.gz WWZAULVWOAWRSH-UHFFFAOYSA-N 1 2 336.863 3.051 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CCOc2ccccc2C)CC1 ZINC001198106443 1368961171 /nfs/dbraw/zinc/96/11/71/1368961171.db2.gz WWZAULVWOAWRSH-UHFFFAOYSA-N 1 2 336.863 3.051 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001112807787 1369019367 /nfs/dbraw/zinc/01/93/67/1369019367.db2.gz OOGSHTVWQAYZBG-KSSFIOAISA-N 1 2 344.503 3.431 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@@H]([C@@H]2CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001112811688 1369023706 /nfs/dbraw/zinc/02/37/06/1369023706.db2.gz UKKATHFBCYADMU-QZTJIDSGSA-N 1 2 342.487 3.206 20 30 EGEDLO C#CCCCCC(=O)NC1CC(CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001112827800 1369030781 /nfs/dbraw/zinc/03/07/81/1369030781.db2.gz XROFXXFQZNCCAI-UHFFFAOYSA-N 1 2 340.471 3.163 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC001112885746 1369069010 /nfs/dbraw/zinc/06/90/10/1369069010.db2.gz OOBJSBFFVNQXDZ-UHFFFAOYSA-N 1 2 342.483 3.416 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)Cc1ccoc1)c1ccccc1OC ZINC001198686864 1369091240 /nfs/dbraw/zinc/09/12/40/1369091240.db2.gz TWJQEHYKGXTJMD-MRXNPFEDSA-N 1 2 348.830 3.030 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)c1c[nH]cc1C)c1ccccc1OC ZINC001198984305 1369165241 /nfs/dbraw/zinc/16/52/41/1369165241.db2.gz OGXGMFYKTSMVIY-MRXNPFEDSA-N 1 2 347.846 3.145 20 30 EGEDLO C#CCCCCCC(=O)N1CC[NH+](CCOc2ccccc2C)CC1 ZINC001113205156 1369260875 /nfs/dbraw/zinc/26/08/75/1369260875.db2.gz MOPGHSIDYCPPGM-UHFFFAOYSA-N 1 2 342.483 3.102 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC[NH+](CCOc2c(C)cccc2C)CC1 ZINC001113229316 1369277531 /nfs/dbraw/zinc/27/75/31/1369277531.db2.gz HLDXQFCRBQUJAZ-LPHOPBHVSA-N 1 2 344.499 3.285 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC[NH+](CCc2ccccc2Cl)CC1 ZINC001113229795 1369277592 /nfs/dbraw/zinc/27/75/92/1369277592.db2.gz RHCAMHFRCJGPBP-HOTGVXAUSA-N 1 2 334.891 3.485 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](CCOc2cc(C)cc(C)c2)CC1 ZINC001113246507 1369289855 /nfs/dbraw/zinc/28/98/55/1369289855.db2.gz PAQVREJCCSQYDZ-IBGZPJMESA-N 1 2 344.499 3.429 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](CCOc3ccccc3C)CC2)CCC1 ZINC001113310393 1369337007 /nfs/dbraw/zinc/33/70/07/1369337007.db2.gz GHTMVCUEPDQMDW-UHFFFAOYSA-N 1 2 342.483 3.264 20 30 EGEDLO C=CCCC1(C(=O)N2CC[NH+](CCc3ccc(F)c(F)c3)CC2)CC1 ZINC001113310569 1369337064 /nfs/dbraw/zinc/33/70/64/1369337064.db2.gz KRMKFFAOWIGGGJ-UHFFFAOYSA-N 1 2 348.437 3.398 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[NH+](Cc2ccc(C)c(OC)c2)CC1 ZINC001113389493 1369391476 /nfs/dbraw/zinc/39/14/76/1369391476.db2.gz CGVONKMBBAWKLA-UHFFFAOYSA-N 1 2 330.472 3.250 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[NH+](CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC001113390910 1369392237 /nfs/dbraw/zinc/39/22/37/1369392237.db2.gz ZQIWXFBBMQSRRX-ZWKOTPCHSA-N 1 2 336.520 3.328 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](CCOCC3CC3)CC2)CCCCC1 ZINC001113666833 1369553944 /nfs/dbraw/zinc/55/39/44/1369553944.db2.gz CXGYIONBLXFXHA-UHFFFAOYSA-N 1 2 334.504 3.084 20 30 EGEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+]([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC001113713388 1369581846 /nfs/dbraw/zinc/58/18/46/1369581846.db2.gz PMAIQKMQBBVNCQ-KBXCAEBGSA-N 1 2 348.874 3.063 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)CCCC ZINC001113910716 1369655153 /nfs/dbraw/zinc/65/51/53/1369655153.db2.gz IUQKNSVETLLEEN-KBXIAJHMSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)CCCC ZINC001113910716 1369655150 /nfs/dbraw/zinc/65/51/50/1369655150.db2.gz IUQKNSVETLLEEN-KBXIAJHMSA-N 1 2 343.309 3.158 20 30 EGEDLO CC[C@H](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001114191629 1369785116 /nfs/dbraw/zinc/78/51/16/1369785116.db2.gz JSLLZPSSCFNVKV-UJAMICLKSA-N 1 2 344.886 3.174 20 30 EGEDLO CC[C@H](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001114191629 1369785121 /nfs/dbraw/zinc/78/51/21/1369785121.db2.gz JSLLZPSSCFNVKV-UJAMICLKSA-N 1 2 344.886 3.174 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CC(F)(F)C(F)F)C12CCC2 ZINC001202985072 1369945922 /nfs/dbraw/zinc/94/59/22/1369945922.db2.gz ARBIVGKKIPTLMC-NWDGAFQWSA-N 1 2 336.373 3.260 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)CC1(C)C ZINC001114455005 1369951030 /nfs/dbraw/zinc/95/10/30/1369951030.db2.gz RQQHRDSDAYQMAL-INIZCTEOSA-N 1 2 342.487 3.043 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001114481556 1369969108 /nfs/dbraw/zinc/96/91/08/1369969108.db2.gz NJRARIGQJQOXPW-OXJNMPFZSA-N 1 2 344.503 3.335 20 30 EGEDLO C=CCCC(=O)N1C[C@@H](CNc2nc(C)[nH+]c3c2CCCC3)C[C@H]1C ZINC001114674869 1370019146 /nfs/dbraw/zinc/01/91/46/1370019146.db2.gz PIGUVYWJXDOEHP-GDBMZVCRSA-N 1 2 342.487 3.279 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCCC(C)C ZINC001114989173 1370194296 /nfs/dbraw/zinc/19/42/96/1370194296.db2.gz PMTQXZGZIPMGND-FOLVSLTJSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCCC(C)C ZINC001114989173 1370194297 /nfs/dbraw/zinc/19/42/97/1370194297.db2.gz PMTQXZGZIPMGND-FOLVSLTJSA-N 1 2 343.309 3.158 20 30 EGEDLO CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001203762354 1370254853 /nfs/dbraw/zinc/25/48/53/1370254853.db2.gz FDMZOWKLTXDUKJ-QGZVFWFLSA-N 1 2 329.444 3.390 20 30 EGEDLO CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001203762354 1370254860 /nfs/dbraw/zinc/25/48/60/1370254860.db2.gz FDMZOWKLTXDUKJ-QGZVFWFLSA-N 1 2 329.444 3.390 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC(N(C)c2nc(C)[nH+]c(C)c2C)CC1 ZINC001115153113 1370315393 /nfs/dbraw/zinc/31/53/93/1370315393.db2.gz WFQRWNIVLBFHDB-QGZVFWFLSA-N 1 2 344.503 3.431 20 30 EGEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1cccc2ccccc21 ZINC001203984475 1370339629 /nfs/dbraw/zinc/33/96/29/1370339629.db2.gz YIIWSYKSGQUSAP-FQEVSTJZSA-N 1 2 348.450 3.270 20 30 EGEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1cccc2ccccc21 ZINC001203984475 1370339631 /nfs/dbraw/zinc/33/96/31/1370339631.db2.gz YIIWSYKSGQUSAP-FQEVSTJZSA-N 1 2 348.450 3.270 20 30 EGEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccc(F)cc3F)C2)CC1 ZINC001204207047 1370407609 /nfs/dbraw/zinc/40/76/09/1370407609.db2.gz CQXFDBVYKRYUQJ-UHFFFAOYSA-N 1 2 336.382 3.185 20 30 EGEDLO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1C#N ZINC001204366389 1370454315 /nfs/dbraw/zinc/45/43/15/1370454315.db2.gz FYTGEMDTOQQPCP-HNNXBMFYSA-N 1 2 329.444 3.390 20 30 EGEDLO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1C#N ZINC001204366389 1370454317 /nfs/dbraw/zinc/45/43/17/1370454317.db2.gz FYTGEMDTOQQPCP-HNNXBMFYSA-N 1 2 329.444 3.390 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCCn2cnc(Cn3cccc3)c2C1 ZINC001204370722 1370456483 /nfs/dbraw/zinc/45/64/83/1370456483.db2.gz JPEHMRCKRYOTGW-UHFFFAOYSA-N 1 2 331.423 3.010 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCCn2cnc(Cn3cccc3)c2C1 ZINC001204370722 1370456484 /nfs/dbraw/zinc/45/64/84/1370456484.db2.gz JPEHMRCKRYOTGW-UHFFFAOYSA-N 1 2 331.423 3.010 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC001187232348 1388077328 /nfs/dbraw/zinc/07/73/28/1388077328.db2.gz BASXCGVHJFGXLS-GOEBONIOSA-N 1 2 333.501 3.095 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC001187232348 1388077337 /nfs/dbraw/zinc/07/73/37/1388077337.db2.gz BASXCGVHJFGXLS-GOEBONIOSA-N 1 2 333.501 3.095 20 30 EGEDLO N#Cc1ccccc1OC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC001204794198 1370577402 /nfs/dbraw/zinc/57/74/02/1370577402.db2.gz SXRBZHQCZIRNSP-UHFFFAOYSA-N 1 2 332.407 3.478 20 30 EGEDLO CCOc1ccc(N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)cc1 ZINC001205502072 1370774714 /nfs/dbraw/zinc/77/47/14/1370774714.db2.gz CWZBVCAXMHLONV-UHFFFAOYSA-N 1 2 339.414 3.418 20 30 EGEDLO COc1c(C)c[nH+]c(CSCC(=O)Nc2ccc(C#N)cc2)c1C ZINC001116492474 1370923362 /nfs/dbraw/zinc/92/33/62/1370923362.db2.gz BZFZSCPALQEVBG-UHFFFAOYSA-N 1 2 341.436 3.451 20 30 EGEDLO N#Cc1ccc(NC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)cc1F ZINC001205986541 1370929855 /nfs/dbraw/zinc/92/98/55/1370929855.db2.gz LZADWVOSKMIZCE-GOSISDBHSA-N 1 2 349.369 3.457 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2csc(-c3ccco3)n2)C[C@H]1C ZINC001206509510 1371078765 /nfs/dbraw/zinc/07/87/65/1371078765.db2.gz NBVYZDCNLZFHTO-UKRRQHHQSA-N 1 2 345.468 3.306 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2csc(-c3ccco3)n2)C[C@H]1C ZINC001206509510 1371078767 /nfs/dbraw/zinc/07/87/67/1371078767.db2.gz NBVYZDCNLZFHTO-UKRRQHHQSA-N 1 2 345.468 3.306 20 30 EGEDLO Cc1nn(C(=O)OC(C)(C)C)c(C)c1C[NH+]1CCC(C)(C#N)CC1 ZINC001206812399 1371177954 /nfs/dbraw/zinc/17/79/54/1371177954.db2.gz ASRZLYPMTAVVEW-UHFFFAOYSA-N 1 2 332.448 3.409 20 30 EGEDLO COc1cncc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)c1 ZINC001207000029 1371263729 /nfs/dbraw/zinc/26/37/29/1371263729.db2.gz DKXZPIGJCMKXKN-UHFFFAOYSA-N 1 2 325.387 3.287 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@H]21 ZINC001187591809 1388129005 /nfs/dbraw/zinc/12/90/05/1388129005.db2.gz UTKUIEPLACALEY-DJRMKIQDSA-N 1 2 329.271 3.032 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@H]21 ZINC001187591809 1388129006 /nfs/dbraw/zinc/12/90/06/1388129006.db2.gz UTKUIEPLACALEY-DJRMKIQDSA-N 1 2 329.271 3.032 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2nc(C3CCCC3)no2)C1 ZINC001208255367 1371684867 /nfs/dbraw/zinc/68/48/67/1371684867.db2.gz HEHAHSGKGZNKPV-MRXNPFEDSA-N 1 2 346.475 3.164 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001208452354 1371771904 /nfs/dbraw/zinc/77/19/04/1371771904.db2.gz HJOYATSNEUYBJS-DGCLKSJQSA-N 1 2 327.881 3.089 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001208452354 1371771907 /nfs/dbraw/zinc/77/19/07/1371771907.db2.gz HJOYATSNEUYBJS-DGCLKSJQSA-N 1 2 327.881 3.089 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccn(C(C)C)n3)C[C@H]2C)CCC1 ZINC001208517681 1371797299 /nfs/dbraw/zinc/79/72/99/1371797299.db2.gz PWNFAQMVPQIIIJ-SJLPKXTDSA-N 1 2 344.503 3.147 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccn(C(C)C)n3)C[C@H]2C)CCC1 ZINC001208517681 1371797303 /nfs/dbraw/zinc/79/73/03/1371797303.db2.gz PWNFAQMVPQIIIJ-SJLPKXTDSA-N 1 2 344.503 3.147 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@H]([NH2+][C@H](C)c2nc(C(C)C)no2)C1 ZINC001209346969 1372073339 /nfs/dbraw/zinc/07/33/39/1372073339.db2.gz XXFVTNBYHPHORR-CABCVRRESA-N 1 2 334.464 3.191 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@H]1C ZINC001123066491 1372373022 /nfs/dbraw/zinc/37/30/22/1372373022.db2.gz CTXZXTZKZSWVLI-GDBMZVCRSA-N 1 2 328.460 3.420 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nncn2C)C[C@H]1C ZINC001210547465 1372375713 /nfs/dbraw/zinc/37/57/13/1372375713.db2.gz OPUNAVCEVWSHKD-IXDOHACOSA-N 1 2 349.523 3.063 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nncn2C)C[C@H]1C ZINC001210547465 1372375718 /nfs/dbraw/zinc/37/57/18/1372375718.db2.gz OPUNAVCEVWSHKD-IXDOHACOSA-N 1 2 349.523 3.063 20 30 EGEDLO C#CCCCC(=O)N1C[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C[C@@H]1C ZINC001123225005 1372401341 /nfs/dbraw/zinc/40/13/41/1372401341.db2.gz UVSDQNMKBFCOOB-HOTGVXAUSA-N 1 2 328.460 3.113 20 30 EGEDLO C=CCCCC(=O)N1C[C@@H]2CCC[C@H](Nc3cc[nH+]c(C)n3)[C@@H]2C1 ZINC001123512923 1372493080 /nfs/dbraw/zinc/49/30/80/1372493080.db2.gz HVCMWBDRSJFSQV-BBWFWOEESA-N 1 2 328.460 3.180 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)[C@H]1C ZINC001123577660 1372513764 /nfs/dbraw/zinc/51/37/64/1372513764.db2.gz PESKWIYVFPIPTM-HOCLYGCPSA-N 1 2 328.460 3.102 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1CC[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001123827695 1372600658 /nfs/dbraw/zinc/60/06/58/1372600658.db2.gz FYFUJGKWCNPUSP-UONOGXRCSA-N 1 2 336.867 3.261 20 30 EGEDLO C#CCCCC(=O)N1C[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C(C)(C)C1 ZINC001123947042 1372634761 /nfs/dbraw/zinc/63/47/61/1372634761.db2.gz MKOCWIGNHABKES-MRXNPFEDSA-N 1 2 342.487 3.361 20 30 EGEDLO Cc1cc(C#N)cc(Cl)c1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212669036 1372749718 /nfs/dbraw/zinc/74/97/18/1372749718.db2.gz DEIGHQVCMOGLMU-UHFFFAOYSA-N 1 2 327.815 3.440 20 30 EGEDLO C[NH+]1CCN(c2ccc(Nc3cc(F)c(O)c(F)c3)cc2C#N)CC1 ZINC001213381724 1372897100 /nfs/dbraw/zinc/89/71/00/1372897100.db2.gz CAFVTAZLCXGWFA-UHFFFAOYSA-N 1 2 344.365 3.037 20 30 EGEDLO N#Cc1ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2F)s1 ZINC001213481697 1372911226 /nfs/dbraw/zinc/91/12/26/1372911226.db2.gz LMZSBPBOCUUBAI-UHFFFAOYSA-N 1 2 347.415 3.213 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H](C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001126669328 1372995519 /nfs/dbraw/zinc/99/55/19/1372995519.db2.gz YGXRXAHROMCMBA-GDBMZVCRSA-N 1 2 330.476 3.108 20 30 EGEDLO C=CCCC(=O)N(C)C1CC(Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001126859105 1373042449 /nfs/dbraw/zinc/04/24/49/1373042449.db2.gz HLHYRBTYIIRABI-UHFFFAOYSA-N 1 2 328.460 3.031 20 30 EGEDLO C=CC(C)(C)C(=O)N(C)C1CC(Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001127041383 1373074240 /nfs/dbraw/zinc/07/42/40/1373074240.db2.gz LLLQQGCRRUWOTQ-UHFFFAOYSA-N 1 2 328.460 3.276 20 30 EGEDLO C=CC(C)(C)C(=O)NCc1cnn2c1C[N@H+](CC/C=C\CCC)CC2 ZINC001128454783 1373270928 /nfs/dbraw/zinc/27/09/28/1373270928.db2.gz ZACVFVRGSAETOA-HJWRWDBZSA-N 1 2 344.503 3.274 20 30 EGEDLO C=CC(C)(C)C(=O)NCc1cnn2c1C[N@@H+](CC/C=C\CCC)CC2 ZINC001128454783 1373270930 /nfs/dbraw/zinc/27/09/30/1373270930.db2.gz ZACVFVRGSAETOA-HJWRWDBZSA-N 1 2 344.503 3.274 20 30 EGEDLO C=CCCCC(=O)NCc1cnn2c1C[N@H+](CC/C=C/CCC)CC2 ZINC001128463623 1373272759 /nfs/dbraw/zinc/27/27/59/1373272759.db2.gz NOXCAVWDPKJLGJ-BQYQJAHWSA-N 1 2 344.503 3.418 20 30 EGEDLO C=CCCCC(=O)NCc1cnn2c1C[N@@H+](CC/C=C/CCC)CC2 ZINC001128463623 1373272764 /nfs/dbraw/zinc/27/27/64/1373272764.db2.gz NOXCAVWDPKJLGJ-BQYQJAHWSA-N 1 2 344.503 3.418 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)C[C@H]3C[C@@H]3C)c2C1 ZINC001128475650 1373274203 /nfs/dbraw/zinc/27/42/03/1373274203.db2.gz FDZVYMGQWNAEOL-DLBZAZTESA-N 1 2 346.519 3.331 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)C[C@H]3C[C@@H]3C)c2C1 ZINC001128475650 1373274208 /nfs/dbraw/zinc/27/42/08/1373274208.db2.gz FDZVYMGQWNAEOL-DLBZAZTESA-N 1 2 346.519 3.331 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C[C@H](C)CC(C)(C)C)c2C1 ZINC001128504477 1373279366 /nfs/dbraw/zinc/27/93/66/1373279366.db2.gz SJQPGHSAZRDLNQ-INIZCTEOSA-N 1 2 346.519 3.353 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C[C@H](C)CC(C)(C)C)c2C1 ZINC001128504477 1373279368 /nfs/dbraw/zinc/27/93/68/1373279368.db2.gz SJQPGHSAZRDLNQ-INIZCTEOSA-N 1 2 346.519 3.353 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C[C@@H](C)CCCCC)c2C1 ZINC001128517567 1373281726 /nfs/dbraw/zinc/28/17/26/1373281726.db2.gz NKYYWGDVRPTOTB-KRWDZBQOSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C[C@@H](C)CCCCC)c2C1 ZINC001128517567 1373281730 /nfs/dbraw/zinc/28/17/30/1373281730.db2.gz NKYYWGDVRPTOTB-KRWDZBQOSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H](C)CCC(C)(C)C)c2C1 ZINC001128549310 1373288919 /nfs/dbraw/zinc/28/89/19/1373288919.db2.gz IPFVIMWYNKXBGM-INIZCTEOSA-N 1 2 346.519 3.353 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H](C)CCC(C)(C)C)c2C1 ZINC001128549310 1373288921 /nfs/dbraw/zinc/28/89/21/1373288921.db2.gz IPFVIMWYNKXBGM-INIZCTEOSA-N 1 2 346.519 3.353 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CCCC1CC1)C[C@@H](C)O2 ZINC001131672800 1373754626 /nfs/dbraw/zinc/75/46/26/1373754626.db2.gz BBIKMJCBGUDYDU-CRAIPNDOSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCCC1CC1)C[C@@H](C)O2 ZINC001131672800 1373754631 /nfs/dbraw/zinc/75/46/31/1373754631.db2.gz BBIKMJCBGUDYDU-CRAIPNDOSA-N 1 2 340.895 3.011 20 30 EGEDLO COc1cc(C)c(C(=O)/C=C/c2ccc[nH+]c2N(C)C)cc1OC ZINC001326689254 1388283220 /nfs/dbraw/zinc/28/32/20/1388283220.db2.gz FITFTCNYSNJQEX-CMDGGOBGSA-N 1 2 326.396 3.369 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=C)Br)C1 ZINC001131972876 1375078369 /nfs/dbraw/zinc/07/83/69/1375078369.db2.gz VQVBQPVVHOWLPP-HUUCEWRRSA-N 1 2 341.293 3.058 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=C)Br)C1 ZINC001131972876 1375078362 /nfs/dbraw/zinc/07/83/62/1375078362.db2.gz VQVBQPVVHOWLPP-HUUCEWRRSA-N 1 2 341.293 3.058 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)sc2C)C1 ZINC001132002768 1375093573 /nfs/dbraw/zinc/09/35/73/1375093573.db2.gz NWFNWDOXBAKHOP-CJNGLKHVSA-N 1 2 333.501 3.033 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2nc(C)sc2C)C1 ZINC001132002768 1375093577 /nfs/dbraw/zinc/09/35/77/1375093577.db2.gz NWFNWDOXBAKHOP-CJNGLKHVSA-N 1 2 333.501 3.033 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(F)cc2F)C1 ZINC001132018212 1375100365 /nfs/dbraw/zinc/10/03/65/1375100365.db2.gz VOXYBWVWPUDSKU-PBHICJAKSA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(F)cc2F)C1 ZINC001132018212 1375100368 /nfs/dbraw/zinc/10/03/68/1375100368.db2.gz VOXYBWVWPUDSKU-PBHICJAKSA-N 1 2 334.410 3.093 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1cc(F)cc(F)c1 ZINC001132033497 1375108803 /nfs/dbraw/zinc/10/88/03/1375108803.db2.gz GZLDWPDREGDVQR-RDTXWAMCSA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1cc(F)cc(F)c1 ZINC001132033497 1375108806 /nfs/dbraw/zinc/10/88/06/1375108806.db2.gz GZLDWPDREGDVQR-RDTXWAMCSA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1cccc(F)c1F ZINC001132034879 1375109724 /nfs/dbraw/zinc/10/97/24/1375109724.db2.gz VZHFWXRBJFHQLG-GOEBONIOSA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1cccc(F)c1F ZINC001132034879 1375109725 /nfs/dbraw/zinc/10/97/25/1375109725.db2.gz VZHFWXRBJFHQLG-GOEBONIOSA-N 1 2 348.437 3.483 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(F)cn2)C1 ZINC001132057390 1375123574 /nfs/dbraw/zinc/12/35/74/1375123574.db2.gz OOWIKSYDUAHLEM-DNVCBOLYSA-N 1 2 345.462 3.458 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(F)cn2)C1 ZINC001132057390 1375123576 /nfs/dbraw/zinc/12/35/76/1375123576.db2.gz OOWIKSYDUAHLEM-DNVCBOLYSA-N 1 2 345.462 3.458 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2nccs2)C1 ZINC001132057479 1375124484 /nfs/dbraw/zinc/12/44/84/1375124484.db2.gz PUATWULNOXEMBR-HOCLYGCPSA-N 1 2 333.501 3.381 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2nccs2)C1 ZINC001132057479 1375124489 /nfs/dbraw/zinc/12/44/89/1375124489.db2.gz PUATWULNOXEMBR-HOCLYGCPSA-N 1 2 333.501 3.381 20 30 EGEDLO C#CCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC=C(Cl)Cl)C2)CCC1 ZINC001132100967 1375147624 /nfs/dbraw/zinc/14/76/24/1375147624.db2.gz DWTMZPPTGHNOHU-KBPBESRZSA-N 1 2 343.298 3.468 20 30 EGEDLO C#CCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC=C(Cl)Cl)C2)CCC1 ZINC001132100967 1375147632 /nfs/dbraw/zinc/14/76/32/1375147632.db2.gz DWTMZPPTGHNOHU-KBPBESRZSA-N 1 2 343.298 3.468 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCc2ccsc2)CC[C@@H]1C ZINC001132115223 1375155315 /nfs/dbraw/zinc/15/53/15/1375155315.db2.gz ISKSJQGOZGPNQX-ZFWWWQNUSA-N 1 2 326.893 3.402 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCc2ccsc2)CC[C@@H]1C ZINC001132115223 1375155317 /nfs/dbraw/zinc/15/53/17/1375155317.db2.gz ISKSJQGOZGPNQX-ZFWWWQNUSA-N 1 2 326.893 3.402 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCc2nc(C)cs2)CC[C@H]1C ZINC001132174244 1375188352 /nfs/dbraw/zinc/18/83/52/1375188352.db2.gz UMGLQFSRATXRBU-KGLIPLIRSA-N 1 2 341.908 3.106 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCc2nc(C)cs2)CC[C@H]1C ZINC001132174244 1375188354 /nfs/dbraw/zinc/18/83/54/1375188354.db2.gz UMGLQFSRATXRBU-KGLIPLIRSA-N 1 2 341.908 3.106 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2c(F)cccc2[N+](=O)[O-])C1 ZINC001226009664 1375189950 /nfs/dbraw/zinc/18/99/50/1375189950.db2.gz NNSBZSYYJQWTDV-OAHLLOKOSA-N 1 2 341.342 3.259 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2c(F)cccc2[N+](=O)[O-])C1 ZINC001226009664 1375189953 /nfs/dbraw/zinc/18/99/53/1375189953.db2.gz NNSBZSYYJQWTDV-OAHLLOKOSA-N 1 2 341.342 3.259 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001132218061 1375216291 /nfs/dbraw/zinc/21/62/91/1375216291.db2.gz LURABIBGOXJFTR-DZGCQCFKSA-N 1 2 335.879 3.416 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001132218061 1375216300 /nfs/dbraw/zinc/21/63/00/1375216300.db2.gz LURABIBGOXJFTR-DZGCQCFKSA-N 1 2 335.879 3.416 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2nc(C)oc2C)C1 ZINC001132221431 1375218237 /nfs/dbraw/zinc/21/82/37/1375218237.db2.gz HTKILGNBLAJDLL-CZUORRHYSA-N 1 2 333.476 3.363 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)oc2C)C1 ZINC001132221431 1375218235 /nfs/dbraw/zinc/21/82/35/1375218235.db2.gz HTKILGNBLAJDLL-CZUORRHYSA-N 1 2 333.476 3.363 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCc2csc(C)n2)CC[C@@H]1C ZINC001132339529 1375317640 /nfs/dbraw/zinc/31/76/40/1375317640.db2.gz HIJSUWXUMOYUAL-JSGCOSHPSA-N 1 2 341.908 3.106 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCc2csc(C)n2)CC[C@@H]1C ZINC001132339529 1375317646 /nfs/dbraw/zinc/31/76/46/1375317646.db2.gz HIJSUWXUMOYUAL-JSGCOSHPSA-N 1 2 341.908 3.106 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(C(C)C)n1 ZINC001227917324 1375490746 /nfs/dbraw/zinc/49/07/46/1375490746.db2.gz RRRPGRKNLVWKEA-HUUCEWRRSA-N 1 2 348.491 3.312 20 30 EGEDLO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2cccc3c2C(=O)C=CC3=O)C1 ZINC001228473918 1375577613 /nfs/dbraw/zinc/57/76/13/1375577613.db2.gz ZLEDPUDYIXFYRU-HUUCEWRRSA-N 1 2 348.402 3.231 20 30 EGEDLO C[C@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2cccc3c2C(=O)C=CC3=O)C1 ZINC001228473918 1375577623 /nfs/dbraw/zinc/57/76/23/1375577623.db2.gz ZLEDPUDYIXFYRU-HUUCEWRRSA-N 1 2 348.402 3.231 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001228747876 1375659864 /nfs/dbraw/zinc/65/98/64/1375659864.db2.gz HBCLNJCIJCAULC-GJZGRUSLSA-N 1 2 343.446 3.236 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC001228749293 1375662599 /nfs/dbraw/zinc/66/25/99/1375662599.db2.gz RKMZJFBWKIZGHS-RYUDHWBXSA-N 1 2 341.908 3.335 20 30 EGEDLO CC#CCCCC(=O)NC1CC[NH+](Cc2csc(CCC)n2)CC1 ZINC001228770740 1375671455 /nfs/dbraw/zinc/67/14/55/1375671455.db2.gz RQVWYKHWEMNINI-UHFFFAOYSA-N 1 2 347.528 3.370 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2ncc(Cl)cc2F)C1 ZINC001228835761 1375690175 /nfs/dbraw/zinc/69/01/75/1375690175.db2.gz WHORQXOBPHJYQF-HNNXBMFYSA-N 1 2 331.778 3.399 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2ncc(Cl)cc2F)C1 ZINC001228835761 1375690192 /nfs/dbraw/zinc/69/01/92/1375690192.db2.gz WHORQXOBPHJYQF-HNNXBMFYSA-N 1 2 331.778 3.399 20 30 EGEDLO C=CCCCC(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001228918964 1375715265 /nfs/dbraw/zinc/71/52/65/1375715265.db2.gz FPOPMVNUYZQZIA-UHFFFAOYSA-N 1 2 337.445 3.093 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)C(C)(C)CCC)CC1 ZINC001228935625 1375721647 /nfs/dbraw/zinc/72/16/47/1375721647.db2.gz VTBVKSUMHWEVFT-UHFFFAOYSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001229015856 1375739183 /nfs/dbraw/zinc/73/91/83/1375739183.db2.gz BSLIVQSRCNNJOW-IBGZPJMESA-N 1 2 331.460 3.235 20 30 EGEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cccc(C#N)c3C)CC2)cc1 ZINC001133116581 1375784781 /nfs/dbraw/zinc/78/47/81/1375784781.db2.gz UNWOCZSRDHHBGU-UHFFFAOYSA-N 1 2 347.462 3.387 20 30 EGEDLO C=C[C@H](C(=O)NC1CC[NH+](Cc2ncc(C)o2)CC1)c1ccccc1 ZINC001230332155 1375999694 /nfs/dbraw/zinc/99/96/94/1375999694.db2.gz VQURUCPAKOGBGL-SFHVURJKSA-N 1 2 339.439 3.033 20 30 EGEDLO C=C(Cl)C[N@H+](CCCNC(=O)[C@H]1CC12CCC2)Cc1cccnc1 ZINC001230861162 1376169501 /nfs/dbraw/zinc/16/95/01/1376169501.db2.gz BDVTXJLAIMDCHN-QGZVFWFLSA-N 1 2 347.890 3.333 20 30 EGEDLO C=C(Cl)C[N@@H+](CCCNC(=O)[C@H]1CC12CCC2)Cc1cccnc1 ZINC001230861162 1376169505 /nfs/dbraw/zinc/16/95/05/1376169505.db2.gz BDVTXJLAIMDCHN-QGZVFWFLSA-N 1 2 347.890 3.333 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001188985292 1388427866 /nfs/dbraw/zinc/42/78/66/1388427866.db2.gz CSGBZBBBCYOBKS-JKSUJKDBSA-N 1 2 345.487 3.361 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001188985292 1388427867 /nfs/dbraw/zinc/42/78/67/1388427867.db2.gz CSGBZBBBCYOBKS-JKSUJKDBSA-N 1 2 345.487 3.361 20 30 EGEDLO CCC[C@@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001231313052 1376227826 /nfs/dbraw/zinc/22/78/26/1376227826.db2.gz UUKCQEDXVFEQIE-VQIMIIECSA-N 1 2 330.447 3.146 20 30 EGEDLO CCC[C@@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001231313052 1376227832 /nfs/dbraw/zinc/22/78/32/1376227832.db2.gz UUKCQEDXVFEQIE-VQIMIIECSA-N 1 2 330.447 3.146 20 30 EGEDLO C[C@H](C[C@@H](C)[NH2+]CC(F)(F)C(F)F)NC(=O)CCC(F)(F)F ZINC001134004662 1376306635 /nfs/dbraw/zinc/30/66/35/1376306635.db2.gz SDXRSDONZLEYLU-HTQZYQBOSA-N 1 2 340.283 3.102 20 30 EGEDLO CC(C)(C)OC(=O)N[C@]1(C)CCC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232673162 1376498405 /nfs/dbraw/zinc/49/84/05/1376498405.db2.gz AZFMSIVJEDASDI-LJQANCHMSA-N 1 2 345.443 3.143 20 30 EGEDLO CC(C)(C)OC(=O)N[C@]1(C)CCC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232673162 1376498409 /nfs/dbraw/zinc/49/84/09/1376498409.db2.gz AZFMSIVJEDASDI-LJQANCHMSA-N 1 2 345.443 3.143 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2ccc(C#N)s2)CC[C@H]1F ZINC001232845792 1376524298 /nfs/dbraw/zinc/52/42/98/1376524298.db2.gz QSROEYIMAMDHRB-KGLIPLIRSA-N 1 2 339.436 3.057 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[C@H]1F ZINC001232845792 1376524306 /nfs/dbraw/zinc/52/43/06/1376524306.db2.gz QSROEYIMAMDHRB-KGLIPLIRSA-N 1 2 339.436 3.057 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H]2O[C@@H](COCC3CC3)CC[C@H]21 ZINC001232891075 1376533993 /nfs/dbraw/zinc/53/39/93/1376533993.db2.gz FAXCLNAKRUQASS-VAMGGRTRSA-N 1 2 344.430 3.246 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H]2O[C@@H](COCC3CC3)CC[C@H]21 ZINC001232891075 1376533998 /nfs/dbraw/zinc/53/39/98/1376533998.db2.gz FAXCLNAKRUQASS-VAMGGRTRSA-N 1 2 344.430 3.246 20 30 EGEDLO COc1cccc(O[C@H]2CCC[N@H+](Cc3cc(F)ccc3C#N)C2)n1 ZINC001232892184 1376536143 /nfs/dbraw/zinc/53/61/43/1376536143.db2.gz BPXPJOWQTVAIBH-KRWDZBQOSA-N 1 2 341.386 3.144 20 30 EGEDLO COc1cccc(O[C@H]2CCC[N@@H+](Cc3cc(F)ccc3C#N)C2)n1 ZINC001232892184 1376536153 /nfs/dbraw/zinc/53/61/53/1376536153.db2.gz BPXPJOWQTVAIBH-KRWDZBQOSA-N 1 2 341.386 3.144 20 30 EGEDLO Cc1ccc(C[N@H+](C)C[C@@H]2CN(Cc3ccccc3)CCO2)c(C#N)c1 ZINC001232968604 1376550038 /nfs/dbraw/zinc/55/00/38/1376550038.db2.gz KJCOWKPOUCDHLS-JOCHJYFZSA-N 1 2 349.478 3.200 20 30 EGEDLO Cc1ccc(C[N@@H+](C)C[C@@H]2CN(Cc3ccccc3)CCO2)c(C#N)c1 ZINC001232968604 1376550041 /nfs/dbraw/zinc/55/00/41/1376550041.db2.gz KJCOWKPOUCDHLS-JOCHJYFZSA-N 1 2 349.478 3.200 20 30 EGEDLO CC(C)(C)OC(=O)N1CCC[C@@]12CCC[N@H+](Cc1[nH]ccc1C#N)C2 ZINC001233046361 1376560555 /nfs/dbraw/zinc/56/05/55/1376560555.db2.gz UTQQXKUITRIYSJ-LJQANCHMSA-N 1 2 344.459 3.252 20 30 EGEDLO CC(C)(C)OC(=O)N1CCC[C@@]12CCC[N@@H+](Cc1[nH]ccc1C#N)C2 ZINC001233046361 1376560558 /nfs/dbraw/zinc/56/05/58/1376560558.db2.gz UTQQXKUITRIYSJ-LJQANCHMSA-N 1 2 344.459 3.252 20 30 EGEDLO N#Cc1cc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1Cl ZINC001233921323 1376738152 /nfs/dbraw/zinc/73/81/52/1376738152.db2.gz PPYCDMSQAUWHQC-GOSISDBHSA-N 1 2 342.826 3.491 20 30 EGEDLO N#Cc1cc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1Cl ZINC001233921323 1376738157 /nfs/dbraw/zinc/73/81/57/1376738157.db2.gz PPYCDMSQAUWHQC-GOSISDBHSA-N 1 2 342.826 3.491 20 30 EGEDLO CC[C@@H](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001233927610 1376738859 /nfs/dbraw/zinc/73/88/59/1376738859.db2.gz YPZZKRDWVYGDKP-APWZRJJASA-N 1 2 330.447 3.146 20 30 EGEDLO CC[C@@H](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001233927610 1376738862 /nfs/dbraw/zinc/73/88/62/1376738862.db2.gz YPZZKRDWVYGDKP-APWZRJJASA-N 1 2 330.447 3.146 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(Cl)c(OC)c1 ZINC001233946397 1376740463 /nfs/dbraw/zinc/74/04/63/1376740463.db2.gz APRHHOGLBQXOSY-MRXNPFEDSA-N 1 2 348.874 3.185 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(Cl)c(OC)c1 ZINC001233946397 1376740476 /nfs/dbraw/zinc/74/04/76/1376740476.db2.gz APRHHOGLBQXOSY-MRXNPFEDSA-N 1 2 348.874 3.185 20 30 EGEDLO CCc1noc([C@H]2CCC[N@H+](Cc3c(F)cc(C#N)cc3F)C2)n1 ZINC001235665878 1376883657 /nfs/dbraw/zinc/88/36/57/1376883657.db2.gz YXYPJLIJUNXURA-LBPRGKRZSA-N 1 2 332.354 3.161 20 30 EGEDLO CCc1noc([C@H]2CCC[N@@H+](Cc3c(F)cc(C#N)cc3F)C2)n1 ZINC001235665878 1376883661 /nfs/dbraw/zinc/88/36/61/1376883661.db2.gz YXYPJLIJUNXURA-LBPRGKRZSA-N 1 2 332.354 3.161 20 30 EGEDLO CCOC[C@H]1Cn2nccc2C[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC001238081865 1376992940 /nfs/dbraw/zinc/99/29/40/1376992940.db2.gz FLNSQQXXZXXFDA-OAHLLOKOSA-N 1 2 344.846 3.077 20 30 EGEDLO CCOC[C@H]1Cn2nccc2C[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC001238081865 1376992944 /nfs/dbraw/zinc/99/29/44/1376992944.db2.gz FLNSQQXXZXXFDA-OAHLLOKOSA-N 1 2 344.846 3.077 20 30 EGEDLO N#Cc1ccc(CNC(=O)c2c[nH+]ccc2Nc2ccccc2)c(F)c1 ZINC001136679151 1377415073 /nfs/dbraw/zinc/41/50/73/1377415073.db2.gz BEFXWSRATZKUFK-UHFFFAOYSA-N 1 2 346.365 3.188 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC001267730625 1377467370 /nfs/dbraw/zinc/46/73/70/1377467370.db2.gz TZABYDXWYBEZIG-KRWDZBQOSA-N 1 2 339.439 3.388 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC001267730625 1377467373 /nfs/dbraw/zinc/46/73/73/1377467373.db2.gz TZABYDXWYBEZIG-KRWDZBQOSA-N 1 2 339.439 3.388 20 30 EGEDLO COc1cc(C[NH+]2CC(CC#N)C2)ccc1OC(=O)c1cccs1 ZINC001137253245 1377505481 /nfs/dbraw/zinc/50/54/81/1377505481.db2.gz VNUSQVXBQXGDJW-UHFFFAOYSA-N 1 2 342.420 3.321 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001137655472 1377583367 /nfs/dbraw/zinc/58/33/67/1377583367.db2.gz PDSBRHREWVAYNS-ZDUSSCGKSA-N 1 2 326.799 3.356 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001137655472 1377583369 /nfs/dbraw/zinc/58/33/69/1377583369.db2.gz PDSBRHREWVAYNS-ZDUSSCGKSA-N 1 2 326.799 3.356 20 30 EGEDLO CCCc1noc(C2CC[NH+](Cc3ccc(OC)cc3C#N)CC2)n1 ZINC001137704554 1377599744 /nfs/dbraw/zinc/59/97/44/1377599744.db2.gz LFTJJXUXEHMDJC-UHFFFAOYSA-N 1 2 340.427 3.282 20 30 EGEDLO COc1ccc(C[NH+]2CCC(Oc3ccc(F)cn3)CC2)c(C#N)c1 ZINC001137707071 1377600986 /nfs/dbraw/zinc/60/09/86/1377600986.db2.gz ZWKIXEMKEIJJCZ-UHFFFAOYSA-N 1 2 341.386 3.144 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(F)cc(F)c1F)C2 ZINC001137871033 1377634614 /nfs/dbraw/zinc/63/46/14/1377634614.db2.gz LNBWUKXBEUXLGD-YJBOKZPZSA-N 1 2 341.373 3.430 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(F)cc(F)c1F)C2 ZINC001137871033 1377634616 /nfs/dbraw/zinc/63/46/16/1377634616.db2.gz LNBWUKXBEUXLGD-YJBOKZPZSA-N 1 2 341.373 3.430 20 30 EGEDLO C#CCOc1ccc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)cc1OC ZINC001138341300 1377706708 /nfs/dbraw/zinc/70/67/08/1377706708.db2.gz MNUDSEOWULSZKX-SJORKVTESA-N 1 2 327.424 3.041 20 30 EGEDLO C#CCOc1ccc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)cc1OC ZINC001138341300 1377706710 /nfs/dbraw/zinc/70/67/10/1377706710.db2.gz MNUDSEOWULSZKX-SJORKVTESA-N 1 2 327.424 3.041 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1c(F)cccc1OC)CCO2 ZINC001138384465 1377713300 /nfs/dbraw/zinc/71/33/00/1377713300.db2.gz SYGUYGWWUZUTAL-OXJNMPFZSA-N 1 2 349.446 3.408 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1c(F)cccc1OC)CCO2 ZINC001138384465 1377713306 /nfs/dbraw/zinc/71/33/06/1377713306.db2.gz SYGUYGWWUZUTAL-OXJNMPFZSA-N 1 2 349.446 3.408 20 30 EGEDLO O=C1C=C2C[N@@H+](Cc3cccc(Oc4ncccn4)c3)CC[C@@H]2S1 ZINC001138619432 1377754931 /nfs/dbraw/zinc/75/49/31/1377754931.db2.gz GWLHIDFMWFTKMA-INIZCTEOSA-N 1 2 339.420 3.043 20 30 EGEDLO O=C1C=C2C[N@H+](Cc3cccc(Oc4ncccn4)c3)CC[C@@H]2S1 ZINC001138619432 1377754933 /nfs/dbraw/zinc/75/49/33/1377754933.db2.gz GWLHIDFMWFTKMA-INIZCTEOSA-N 1 2 339.420 3.043 20 30 EGEDLO C=CCOc1ccccc1C[N@@H+]1Cc2ncn(C)c2[C@@H](COCC)C1 ZINC001139028134 1377820021 /nfs/dbraw/zinc/82/00/21/1377820021.db2.gz NFTSFRJPXOQWKC-QGZVFWFLSA-N 1 2 341.455 3.121 20 30 EGEDLO C=CCOc1ccccc1C[N@H+]1Cc2ncn(C)c2[C@@H](COCC)C1 ZINC001139028134 1377820023 /nfs/dbraw/zinc/82/00/23/1377820023.db2.gz NFTSFRJPXOQWKC-QGZVFWFLSA-N 1 2 341.455 3.121 20 30 EGEDLO C=CCN1CC[NH+](Cc2cc3cc(Br)ccc3[nH]2)CC1 ZINC001139188058 1377846103 /nfs/dbraw/zinc/84/61/03/1377846103.db2.gz RTWSFWHOQSGBRK-UHFFFAOYSA-N 1 2 334.261 3.234 20 30 EGEDLO CCOc1cccc(N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)c1 ZINC001139530546 1377898135 /nfs/dbraw/zinc/89/81/35/1377898135.db2.gz OWYHTIFFCNZAGU-UHFFFAOYSA-N 1 2 339.414 3.418 20 30 EGEDLO CCOc1ccc(N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)cc1 ZINC001139530645 1377898598 /nfs/dbraw/zinc/89/85/98/1377898598.db2.gz FRMQBXHREPBLKR-UHFFFAOYSA-N 1 2 339.414 3.418 20 30 EGEDLO N#Cc1ccc(CN2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)cc1F ZINC001139531253 1377898815 /nfs/dbraw/zinc/89/88/15/1377898815.db2.gz SKJHPOJQOYXNTB-KRWDZBQOSA-N 1 2 337.389 3.393 20 30 EGEDLO Cc1cnc(Cl)c(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC001139590857 1377912602 /nfs/dbraw/zinc/91/26/02/1377912602.db2.gz BFXHXCNTVYSARD-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1ccnc(Cl)c1F)CC2 ZINC001139662344 1377928128 /nfs/dbraw/zinc/92/81/28/1377928128.db2.gz YFFYHEGLTKLXNJ-UHFFFAOYSA-N 1 2 337.826 3.017 20 30 EGEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001139690631 1377935482 /nfs/dbraw/zinc/93/54/82/1377935482.db2.gz FIUDKHUAUWEVQD-APWZRJJASA-N 1 2 346.858 3.372 20 30 EGEDLO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001139690631 1377935485 /nfs/dbraw/zinc/93/54/85/1377935485.db2.gz FIUDKHUAUWEVQD-APWZRJJASA-N 1 2 346.858 3.372 20 30 EGEDLO C=CCn1cc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)cn1 ZINC001139770125 1377948253 /nfs/dbraw/zinc/94/82/53/1377948253.db2.gz DNDHABUXYSJLIC-UHFFFAOYSA-N 1 2 330.863 3.040 20 30 EGEDLO C=CCn1cc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cn1 ZINC001139770125 1377948254 /nfs/dbraw/zinc/94/82/54/1377948254.db2.gz DNDHABUXYSJLIC-UHFFFAOYSA-N 1 2 330.863 3.040 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1cc2ccccc2cn1 ZINC001139997464 1377988632 /nfs/dbraw/zinc/98/86/32/1377988632.db2.gz GHOMHOCSBGWSKS-HXUWFJFHSA-N 1 2 348.450 3.270 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1cc2ccccc2cn1 ZINC001139997464 1377988634 /nfs/dbraw/zinc/98/86/34/1377988634.db2.gz GHOMHOCSBGWSKS-HXUWFJFHSA-N 1 2 348.450 3.270 20 30 EGEDLO N#Cc1ccc2[nH]cc(CN3CC[C@H]([NH+]4CCCC4)C(F)(F)C3)c2c1 ZINC001140117490 1378011632 /nfs/dbraw/zinc/01/16/32/1378011632.db2.gz SHEBYTJSRXHSNX-SFHVURJKSA-N 1 2 344.409 3.345 20 30 EGEDLO N#Cc1ccc2[nH]cc(CN3CC[C@@H]([NH+]4CCCC4)C(F)(F)C3)c2c1 ZINC001140117489 1378012173 /nfs/dbraw/zinc/01/21/73/1378012173.db2.gz SHEBYTJSRXHSNX-GOSISDBHSA-N 1 2 344.409 3.345 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)CC12CC2 ZINC001140134996 1378016587 /nfs/dbraw/zinc/01/65/87/1378016587.db2.gz MPALHSDXVZWVCM-MRXNPFEDSA-N 1 2 345.418 3.186 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CC12CC2 ZINC001140134996 1378016588 /nfs/dbraw/zinc/01/65/88/1378016588.db2.gz MPALHSDXVZWVCM-MRXNPFEDSA-N 1 2 345.418 3.186 20 30 EGEDLO C=CCOC(=O)N1CC[NH+](Cc2cccc(-c3nccs3)c2)CC1 ZINC001140340356 1378048792 /nfs/dbraw/zinc/04/87/92/1378048792.db2.gz XQNHSPHVYHNTAQ-UHFFFAOYSA-N 1 2 343.452 3.250 20 30 EGEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1c(F)cc(F)cc1F)CC2 ZINC001140530677 1378079471 /nfs/dbraw/zinc/07/94/71/1378079471.db2.gz HXAKQWBOSROXHR-UHFFFAOYSA-N 1 2 338.373 3.247 20 30 EGEDLO CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@H+](Cc1cc(C#N)ccc1Cl)C2 ZINC001140600108 1378094466 /nfs/dbraw/zinc/09/44/66/1378094466.db2.gz BULSMWNDKYKZEA-KSSFIOAISA-N 1 2 347.846 3.311 20 30 EGEDLO CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@@H+](Cc1cc(C#N)ccc1Cl)C2 ZINC001140600108 1378094469 /nfs/dbraw/zinc/09/44/69/1378094469.db2.gz BULSMWNDKYKZEA-KSSFIOAISA-N 1 2 347.846 3.311 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(Cl)ncc1F)C2 ZINC001140607765 1378096870 /nfs/dbraw/zinc/09/68/70/1378096870.db2.gz VNZJXBLNYFIFBT-PBHICJAKSA-N 1 2 340.826 3.200 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(Cl)ncc1F)C2 ZINC001140607765 1378096876 /nfs/dbraw/zinc/09/68/76/1378096876.db2.gz VNZJXBLNYFIFBT-PBHICJAKSA-N 1 2 340.826 3.200 20 30 EGEDLO Cn1nc2ccc(Br)cc2c1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001140670272 1378110256 /nfs/dbraw/zinc/11/02/56/1378110256.db2.gz WGIKAUWXOMVQAH-LBPRGKRZSA-N 1 2 347.260 3.461 20 30 EGEDLO Cn1nc2ccc(Br)cc2c1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001140670272 1378110257 /nfs/dbraw/zinc/11/02/57/1378110257.db2.gz WGIKAUWXOMVQAH-LBPRGKRZSA-N 1 2 347.260 3.461 20 30 EGEDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(C#N)c(SC)n1)CC2 ZINC001141929027 1378395846 /nfs/dbraw/zinc/39/58/46/1378395846.db2.gz IDYSOLXCHWZETD-UHFFFAOYSA-N 1 2 325.437 3.242 20 30 EGEDLO COc1ccc2c(c1)C[N@H+](Cc1ccc(C#N)c(SC)n1)CC2 ZINC001141929027 1378395847 /nfs/dbraw/zinc/39/58/47/1378395847.db2.gz IDYSOLXCHWZETD-UHFFFAOYSA-N 1 2 325.437 3.242 20 30 EGEDLO COc1cccc(C[N@H+](C)Cc2ccc(C#N)c(SC)n2)c1OC ZINC001141943657 1378396691 /nfs/dbraw/zinc/39/66/91/1378396691.db2.gz DXDWMZZOIVONHX-UHFFFAOYSA-N 1 2 343.452 3.324 20 30 EGEDLO COc1cccc(C[N@@H+](C)Cc2ccc(C#N)c(SC)n2)c1OC ZINC001141943657 1378396693 /nfs/dbraw/zinc/39/66/93/1378396693.db2.gz DXDWMZZOIVONHX-UHFFFAOYSA-N 1 2 343.452 3.324 20 30 EGEDLO CSc1ncc2c(n1)C[N@@H+](Cc1c[nH]c3cc(C#N)ccc13)CC2 ZINC001142925959 1378509986 /nfs/dbraw/zinc/50/99/86/1378509986.db2.gz GPCNAUIPSWYUGK-UHFFFAOYSA-N 1 2 335.436 3.110 20 30 EGEDLO CSc1ncc2c(n1)C[N@H+](Cc1c[nH]c3cc(C#N)ccc13)CC2 ZINC001142925959 1378509987 /nfs/dbraw/zinc/50/99/87/1378509987.db2.gz GPCNAUIPSWYUGK-UHFFFAOYSA-N 1 2 335.436 3.110 20 30 EGEDLO N#Cc1ccc(F)c(CN2CC[NH+](Cc3ccc(F)cc3)CC2)c1F ZINC001143165001 1378552021 /nfs/dbraw/zinc/55/20/21/1378552021.db2.gz SADHZJCEIPNCBF-UHFFFAOYSA-N 1 2 345.368 3.293 20 30 EGEDLO N#Cc1ccc(F)c(C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)c1F ZINC001143170529 1378553434 /nfs/dbraw/zinc/55/34/34/1378553434.db2.gz HYVHOBTVDPCCSO-UHFFFAOYSA-N 1 2 346.352 3.459 20 30 EGEDLO Cc1ccc(O[C@H]2CC[N@H+](Cc3c(F)ccc(C#N)c3F)C2)nc1 ZINC001143175560 1378554735 /nfs/dbraw/zinc/55/47/35/1378554735.db2.gz AFBUWLCYLXMPBC-AWEZNQCLSA-N 1 2 329.350 3.193 20 30 EGEDLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3c(F)ccc(C#N)c3F)C2)nc1 ZINC001143175560 1378554740 /nfs/dbraw/zinc/55/47/40/1378554740.db2.gz AFBUWLCYLXMPBC-AWEZNQCLSA-N 1 2 329.350 3.193 20 30 EGEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001143723453 1378639203 /nfs/dbraw/zinc/63/92/03/1378639203.db2.gz PQIIEKUPCICMEP-QFBILLFUSA-N 1 2 346.858 3.372 20 30 EGEDLO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001143723453 1378639204 /nfs/dbraw/zinc/63/92/04/1378639204.db2.gz PQIIEKUPCICMEP-QFBILLFUSA-N 1 2 346.858 3.372 20 30 EGEDLO N#Cc1cncc(C[N@H+]2CCc3ccc(OC(F)(F)F)cc3C2)c1 ZINC001144084721 1378680484 /nfs/dbraw/zinc/68/04/84/1378680484.db2.gz LFINLNIFBBCKJL-UHFFFAOYSA-N 1 2 333.313 3.410 20 30 EGEDLO N#Cc1cncc(C[N@@H+]2CCc3ccc(OC(F)(F)F)cc3C2)c1 ZINC001144084721 1378680485 /nfs/dbraw/zinc/68/04/85/1378680485.db2.gz LFINLNIFBBCKJL-UHFFFAOYSA-N 1 2 333.313 3.410 20 30 EGEDLO C#CC[NH+]1CCN(Cc2ccc3ccccc3c2Br)CC1 ZINC001144312669 1378715305 /nfs/dbraw/zinc/71/53/05/1378715305.db2.gz AWLWFJIVKLTYKR-UHFFFAOYSA-N 1 2 343.268 3.353 20 30 EGEDLO CC(C)CCC(=O)N1CC2(C1)CC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001146980865 1378951426 /nfs/dbraw/zinc/95/14/26/1378951426.db2.gz NANMKXFNKWVLSE-UHFFFAOYSA-N 1 2 343.446 3.168 20 30 EGEDLO CC(C)CCC(=O)N1CC2(C1)CC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001146980865 1378951429 /nfs/dbraw/zinc/95/14/29/1378951429.db2.gz NANMKXFNKWVLSE-UHFFFAOYSA-N 1 2 343.446 3.168 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@@H+](Cc1csc(CC)n1)C2 ZINC001147653096 1379056714 /nfs/dbraw/zinc/05/67/14/1379056714.db2.gz YAPSJAKBLXTMBG-UHFFFAOYSA-N 1 2 347.528 3.342 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@H+](Cc1csc(CC)n1)C2 ZINC001147653096 1379056715 /nfs/dbraw/zinc/05/67/15/1379056715.db2.gz YAPSJAKBLXTMBG-UHFFFAOYSA-N 1 2 347.528 3.342 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1csc(CC)n1)C2 ZINC001148096229 1379117919 /nfs/dbraw/zinc/11/79/19/1379117919.db2.gz YCEQIYFVMPDVFS-LSDHHAIUSA-N 1 2 347.528 3.198 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1csc(CC)n1)C2 ZINC001148096229 1379117921 /nfs/dbraw/zinc/11/79/21/1379117921.db2.gz YCEQIYFVMPDVFS-LSDHHAIUSA-N 1 2 347.528 3.198 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)[C@H](C)[C@@H](C)CC)C2)C1 ZINC001148501814 1379195077 /nfs/dbraw/zinc/19/50/77/1379195077.db2.gz UBMQVQRHNGNWGK-GXTWGEPZSA-N 1 2 343.309 3.112 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)[C@H](C)[C@@H](C)CC)C2)C1 ZINC001148501814 1379195080 /nfs/dbraw/zinc/19/50/80/1379195080.db2.gz UBMQVQRHNGNWGK-GXTWGEPZSA-N 1 2 343.309 3.112 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)CCC2CCCCC2)C1 ZINC001150669471 1379592101 /nfs/dbraw/zinc/59/21/01/1379592101.db2.gz FMEGWUMESSROPV-KRWDZBQOSA-N 1 2 342.911 3.307 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)CCC2CCCCC2)C1 ZINC001150669471 1379592105 /nfs/dbraw/zinc/59/21/05/1379592105.db2.gz FMEGWUMESSROPV-KRWDZBQOSA-N 1 2 342.911 3.307 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1oc(C)cc1C ZINC001152701383 1379972959 /nfs/dbraw/zinc/97/29/59/1379972959.db2.gz AAOZLBKKGIYADN-GFCCVEGCSA-N 1 2 343.265 3.245 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1oc(C)cc1C ZINC001152701383 1379972960 /nfs/dbraw/zinc/97/29/60/1379972960.db2.gz AAOZLBKKGIYADN-GFCCVEGCSA-N 1 2 343.265 3.245 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1nnc(-c2ccco2)o1 ZINC001153625616 1380106591 /nfs/dbraw/zinc/10/65/91/1380106591.db2.gz AJLSHMRDSLAZCW-CQSZACIVSA-N 1 2 346.431 3.013 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nnc(-c2ccco2)o1 ZINC001153625616 1380106592 /nfs/dbraw/zinc/10/65/92/1380106592.db2.gz AJLSHMRDSLAZCW-CQSZACIVSA-N 1 2 346.431 3.013 20 30 EGEDLO N#Cc1ccc(CC2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)cc1 ZINC001154522592 1380297507 /nfs/dbraw/zinc/29/75/07/1380297507.db2.gz WOKJCHDANWKJGL-UHFFFAOYSA-N 1 2 344.418 3.301 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1nc2c(o1)CCCC2 ZINC001154584304 1380310687 /nfs/dbraw/zinc/31/06/87/1380310687.db2.gz BGYBIFRJFYPVSW-OAHLLOKOSA-N 1 2 347.503 3.482 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc2c(o1)CCCC2 ZINC001154584304 1380310688 /nfs/dbraw/zinc/31/06/88/1380310688.db2.gz BGYBIFRJFYPVSW-OAHLLOKOSA-N 1 2 347.503 3.482 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C2CC2)o1 ZINC001154751114 1380345835 /nfs/dbraw/zinc/34/58/35/1380345835.db2.gz NPHRMONPCYFHRS-HUUCEWRRSA-N 1 2 333.476 3.481 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C2CC2)o1 ZINC001154751114 1380345837 /nfs/dbraw/zinc/34/58/37/1380345837.db2.gz NPHRMONPCYFHRS-HUUCEWRRSA-N 1 2 333.476 3.481 20 30 EGEDLO Cc1ccc([C@H](C#N)c2ccc(NCc3cc[nH+]c(N)c3)nn2)cc1 ZINC001156756474 1380627322 /nfs/dbraw/zinc/62/73/22/1380627322.db2.gz ZFVBRHPXZAOGTN-INIZCTEOSA-N 1 2 330.395 3.030 20 30 EGEDLO CC(=O)N(C(C)C)C1CCN(c2[nH+]ccc3ccc(C#N)cc32)CC1 ZINC001156983892 1380743711 /nfs/dbraw/zinc/74/37/11/1380743711.db2.gz UJEALALWWQKKFU-UHFFFAOYSA-N 1 2 336.439 3.332 20 30 EGEDLO C=C[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(C)on1)c1ccccc1 ZINC001157047476 1380760025 /nfs/dbraw/zinc/76/00/25/1380760025.db2.gz SVOVCBGJRBSQTC-DNVCBOLYSA-N 1 2 341.455 3.279 20 30 EGEDLO C=C[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(C)on1)c1ccccc1 ZINC001157047476 1380760028 /nfs/dbraw/zinc/76/00/28/1380760028.db2.gz SVOVCBGJRBSQTC-DNVCBOLYSA-N 1 2 341.455 3.279 20 30 EGEDLO Cc1nc(C[N@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)(C)C)oc1C ZINC001157965159 1381084042 /nfs/dbraw/zinc/08/40/42/1381084042.db2.gz QLVGURJSFZEBMV-QGZVFWFLSA-N 1 2 345.487 3.154 20 30 EGEDLO Cc1nc(C[N@@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)(C)C)oc1C ZINC001157965159 1381084043 /nfs/dbraw/zinc/08/40/43/1381084043.db2.gz QLVGURJSFZEBMV-QGZVFWFLSA-N 1 2 345.487 3.154 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)CCC2(C)CC2)C[C@H]1C ZINC001328280783 1388711036 /nfs/dbraw/zinc/71/10/36/1388711036.db2.gz VAQKQOHIGNCKHK-ZIAGYGMSSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)CCC2(C)CC2)C[C@H]1C ZINC001328280783 1388711038 /nfs/dbraw/zinc/71/10/38/1388711038.db2.gz VAQKQOHIGNCKHK-ZIAGYGMSSA-N 1 2 343.309 3.444 20 30 EGEDLO N#Cc1ccc(CCC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001288267282 1381756967 /nfs/dbraw/zinc/75/69/67/1381756967.db2.gz PNRQCVFCNPXUSJ-HXUWFJFHSA-N 1 2 344.418 3.245 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@H+](Cc2nccc(C)n2)CC1 ZINC001160242355 1382046384 /nfs/dbraw/zinc/04/63/84/1382046384.db2.gz OAKJZFCBQXGLMO-UHFFFAOYSA-N 1 2 342.487 3.026 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@@H+](Cc2nccc(C)n2)CC1 ZINC001160242355 1382046390 /nfs/dbraw/zinc/04/63/90/1382046390.db2.gz OAKJZFCBQXGLMO-UHFFFAOYSA-N 1 2 342.487 3.026 20 30 EGEDLO COc1nc(N[C@@H](C)c2c[nH+]c3c(C)cccn23)c(F)cc1C#N ZINC001160686506 1382171199 /nfs/dbraw/zinc/17/11/99/1382171199.db2.gz JQJVVFCMJUYRLV-NSHDSACASA-N 1 2 325.347 3.230 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@H+](CC(=C)Br)CC1 ZINC001160882577 1382223880 /nfs/dbraw/zinc/22/38/80/1382223880.db2.gz OVGWAKAWMBBLCV-UHFFFAOYSA-N 1 2 341.293 3.246 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@@H+](CC(=C)Br)CC1 ZINC001160882577 1382223884 /nfs/dbraw/zinc/22/38/84/1382223884.db2.gz OVGWAKAWMBBLCV-UHFFFAOYSA-N 1 2 341.293 3.246 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2nccn2CC)CC1 ZINC001160961989 1382252118 /nfs/dbraw/zinc/25/21/18/1382252118.db2.gz XKCBLAQYRSDPMU-KRWDZBQOSA-N 1 2 344.503 3.144 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2nccn2CC)CC1 ZINC001160961989 1382252126 /nfs/dbraw/zinc/25/21/26/1382252126.db2.gz XKCBLAQYRSDPMU-KRWDZBQOSA-N 1 2 344.503 3.144 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@H+](Cc2cc(C)on2)CC1 ZINC001160991089 1382264087 /nfs/dbraw/zinc/26/40/87/1382264087.db2.gz LKTZXPMVCAYPDH-INIZCTEOSA-N 1 2 331.460 3.224 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@@H+](Cc2cc(C)on2)CC1 ZINC001160991089 1382264092 /nfs/dbraw/zinc/26/40/92/1382264092.db2.gz LKTZXPMVCAYPDH-INIZCTEOSA-N 1 2 331.460 3.224 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@@H+]([C@H](C)c2nc(C)no2)CC1 ZINC001161121428 1382307705 /nfs/dbraw/zinc/30/77/05/1382307705.db2.gz HSMGRMBKOKNGGF-AUUYWEPGSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@H+]([C@H](C)c2nc(C)no2)CC1 ZINC001161121428 1382307709 /nfs/dbraw/zinc/30/77/09/1382307709.db2.gz HSMGRMBKOKNGGF-AUUYWEPGSA-N 1 2 346.475 3.180 20 30 EGEDLO COc1ccc(Cn2c[nH+]cc2CNc2cc(C)c(C#N)cn2)cc1 ZINC001161508062 1382426784 /nfs/dbraw/zinc/42/67/84/1382426784.db2.gz YTBFSGISNKLNPJ-UHFFFAOYSA-N 1 2 333.395 3.127 20 30 EGEDLO N#Cc1ccc2cc[nH+]c(N3CCN(c4ccc(O)cc4)CC3)c2c1 ZINC001163813626 1383124839 /nfs/dbraw/zinc/12/48/39/1383124839.db2.gz HDHKAABPSITLJU-UHFFFAOYSA-N 1 2 330.391 3.139 20 30 EGEDLO C=CCOC(=O)N1CCC2(CN(c3cc4ccccc4c[nH+]3)C2)CC1 ZINC001163863950 1383130949 /nfs/dbraw/zinc/13/09/49/1383130949.db2.gz PDVMFRDKOZBKNF-UHFFFAOYSA-N 1 2 337.423 3.460 20 30 EGEDLO CN(Cc1ncccc1C(F)(F)F)c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001165224528 1383252859 /nfs/dbraw/zinc/25/28/59/1383252859.db2.gz ZYQMRHSHBFBUPN-UHFFFAOYSA-N 1 2 331.301 3.485 20 30 EGEDLO CCOC(=O)c1coc2c1CN(c1[nH+]ccc3ccc(C#N)cc31)C2 ZINC001167174835 1383559085 /nfs/dbraw/zinc/55/90/85/1383559085.db2.gz PTSXPDXYFQMZED-UHFFFAOYSA-N 1 2 333.347 3.396 20 30 EGEDLO C=C(C)C(=O)NCCCNc1cc[nH+]c(OCc2ccccc2)c1 ZINC001167667994 1383705541 /nfs/dbraw/zinc/70/55/41/1383705541.db2.gz SBLDPQQPZYKYHH-UHFFFAOYSA-N 1 2 325.412 3.155 20 30 EGEDLO N#Cc1cccc2c1nc(Cl)nc2N(C(N)=[NH2+])c1ccc(F)cc1 ZINC001167992751 1383790845 /nfs/dbraw/zinc/79/08/45/1383790845.db2.gz JUBBYFSDIBQERG-UHFFFAOYSA-N 1 2 340.749 3.326 20 30 EGEDLO C=C(C)C(=O)OCCNc1cc(NC(=O)Nc2ccccc2)cc[nH+]1 ZINC001168070298 1383811119 /nfs/dbraw/zinc/81/11/19/1383811119.db2.gz JTZUDPHBUPZKRR-UHFFFAOYSA-N 1 2 340.383 3.257 20 30 EGEDLO C=CCOc1ccccc1[C@H](C)Nc1cc2c(c[nH+]1)OCC(=O)N2 ZINC001171368414 1384503879 /nfs/dbraw/zinc/50/38/79/1384503879.db2.gz DRROQJQXBRPREZ-LBPRGKRZSA-N 1 2 325.368 3.150 20 30 EGEDLO CCC(C)(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001316944696 1384717318 /nfs/dbraw/zinc/71/73/18/1384717318.db2.gz MZTZFKXKPLCTGK-GOSISDBHSA-N 1 2 327.472 3.465 20 30 EGEDLO CCC(C)(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001316944696 1384717322 /nfs/dbraw/zinc/71/73/22/1384717322.db2.gz MZTZFKXKPLCTGK-GOSISDBHSA-N 1 2 327.472 3.465 20 30 EGEDLO CCCCCCC[C@H](CCC)[N@@H+]1CCN(C(C)=O)C[C@@H]1C(=O)OC ZINC001172510437 1384807413 /nfs/dbraw/zinc/80/74/13/1384807413.db2.gz BYVQBAJFVJHBIU-ZWKOTPCHSA-N 1 2 340.508 3.221 20 30 EGEDLO CCCCCCC[C@H](CCC)[N@H+]1CCN(C(C)=O)C[C@@H]1C(=O)OC ZINC001172510437 1384807415 /nfs/dbraw/zinc/80/74/15/1384807415.db2.gz BYVQBAJFVJHBIU-ZWKOTPCHSA-N 1 2 340.508 3.221 20 30 EGEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCC(CC#N)CC1 ZINC001173329628 1384959974 /nfs/dbraw/zinc/95/99/74/1384959974.db2.gz JUORZGFKBBTYAP-KVZIAJEVSA-N 1 2 326.440 3.389 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C3(CC(C)C)CCCC3)C[C@@H]21 ZINC001177113315 1385817201 /nfs/dbraw/zinc/81/72/01/1385817201.db2.gz RYFBSPYYHQSPBY-OALUTQOASA-N 1 2 348.531 3.471 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C3(CC(C)C)CCCC3)C[C@@H]21 ZINC001177113315 1385817207 /nfs/dbraw/zinc/81/72/07/1385817207.db2.gz RYFBSPYYHQSPBY-OALUTQOASA-N 1 2 348.531 3.471 20 30 EGEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCCC3CCCCC3)C[C@H]21 ZINC001177145239 1385832610 /nfs/dbraw/zinc/83/26/10/1385832610.db2.gz YKQHAYGURSMUFI-UXHICEINSA-N 1 2 346.515 3.062 20 30 EGEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCCC3CCCCC3)C[C@H]21 ZINC001177145239 1385832617 /nfs/dbraw/zinc/83/26/17/1385832617.db2.gz YKQHAYGURSMUFI-UXHICEINSA-N 1 2 346.515 3.062 20 30 EGEDLO C[C@@H](C(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N)C1CCCC1 ZINC001320067741 1386488590 /nfs/dbraw/zinc/48/85/90/1386488590.db2.gz DFFYWDRLKQVDBC-MRXNPFEDSA-N 1 2 327.472 3.275 20 30 EGEDLO C[C@@H](C(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N)C1CCCC1 ZINC001320067741 1386488592 /nfs/dbraw/zinc/48/85/92/1386488592.db2.gz DFFYWDRLKQVDBC-MRXNPFEDSA-N 1 2 327.472 3.275 20 30 EGEDLO N#Cc1cc(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)c[nH]1 ZINC001337383661 1389326296 /nfs/dbraw/zinc/32/62/96/1389326296.db2.gz ZKPZFEPMWAYGSW-UHFFFAOYSA-N 1 2 348.410 3.001 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)N(C)c1nnc([C@H]2CCCC[N@@H+]2C)n1C ZINC001338580445 1389710565 /nfs/dbraw/zinc/71/05/65/1389710565.db2.gz TZPQNNSSLUFHCW-WMLDXEAASA-N 1 2 338.459 3.041 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)N(C)c1nnc([C@H]2CCCC[N@H+]2C)n1C ZINC001338580445 1389710569 /nfs/dbraw/zinc/71/05/69/1389710569.db2.gz TZPQNNSSLUFHCW-WMLDXEAASA-N 1 2 338.459 3.041 20 30 EGEDLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1cccc(OCC#N)c1 ZINC001341436636 1390486591 /nfs/dbraw/zinc/48/65/91/1390486591.db2.gz AALHDWNTQBTJRE-UHFFFAOYSA-N 1 2 336.399 3.096 20 30 EGEDLO CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)[C@H](C)CC#N ZINC001342684253 1390640988 /nfs/dbraw/zinc/64/09/88/1390640988.db2.gz YKJGHEFYMLICQD-HZPDHXFCSA-N 1 2 340.475 3.229 20 30 EGEDLO CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)[C@H](C)CC#N ZINC001342684253 1390640991 /nfs/dbraw/zinc/64/09/91/1390640991.db2.gz YKJGHEFYMLICQD-HZPDHXFCSA-N 1 2 340.475 3.229 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC001342980045 1390680132 /nfs/dbraw/zinc/68/01/32/1390680132.db2.gz SIXIZGLBSXFQFD-BBWFWOEESA-N 1 2 329.492 3.247 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC001342980045 1390680134 /nfs/dbraw/zinc/68/01/34/1390680134.db2.gz SIXIZGLBSXFQFD-BBWFWOEESA-N 1 2 329.492 3.247 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)CCOC(C)(C)C ZINC001342979170 1390680181 /nfs/dbraw/zinc/68/01/81/1390680181.db2.gz PAGDZLBBOPHWBQ-INIZCTEOSA-N 1 2 349.523 3.262 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)CCOC(C)(C)C ZINC001342979170 1390680182 /nfs/dbraw/zinc/68/01/82/1390680182.db2.gz PAGDZLBBOPHWBQ-INIZCTEOSA-N 1 2 349.523 3.262 20 30 EGEDLO C#C[C@H](C)N(C)c1nnc([C@H]2CCCC[N@@H+]2C)n1Cc1cccs1 ZINC001344785167 1390814877 /nfs/dbraw/zinc/81/48/77/1390814877.db2.gz LHGYNQNNTVIYIE-GOEBONIOSA-N 1 2 343.500 3.003 20 30 EGEDLO C#C[C@H](C)N(C)c1nnc([C@H]2CCCC[N@H+]2C)n1Cc1cccs1 ZINC001344785167 1390814879 /nfs/dbraw/zinc/81/48/79/1390814879.db2.gz LHGYNQNNTVIYIE-GOEBONIOSA-N 1 2 343.500 3.003 20 30 EGEDLO CCn1c[nH+]cc1COC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC001345996438 1390899671 /nfs/dbraw/zinc/89/96/71/1390899671.db2.gz QOWNFMUVIUOHDP-UHFFFAOYSA-N 1 2 349.394 3.037 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)CCC1(C)CC1 ZINC001481061698 1393110408 /nfs/dbraw/zinc/11/04/08/1393110408.db2.gz CKFJQXLVSUIVLK-CYBMUJFWSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)CCC1(C)CC1 ZINC001481061698 1393110409 /nfs/dbraw/zinc/11/04/09/1393110409.db2.gz CKFJQXLVSUIVLK-CYBMUJFWSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCCc2csc(C)n2)C1 ZINC001481526124 1394378562 /nfs/dbraw/zinc/37/85/62/1394378562.db2.gz VAXRKHIWXXHOFV-CQSZACIVSA-N 1 2 341.908 3.107 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCCc2csc(C)n2)C1 ZINC001481526124 1394378565 /nfs/dbraw/zinc/37/85/65/1394378565.db2.gz VAXRKHIWXXHOFV-CQSZACIVSA-N 1 2 341.908 3.107 20 30 EGEDLO CCC1(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)CCCC1 ZINC001481652785 1394433166 /nfs/dbraw/zinc/43/31/66/1394433166.db2.gz ZUACQXSFBUIMGQ-UHFFFAOYSA-N 1 2 343.446 3.216 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1c[nH]c2ccc(F)cc12)C1CC1 ZINC001493455238 1396340216 /nfs/dbraw/zinc/34/02/16/1396340216.db2.gz XPLMPTDZZTZVKS-UHFFFAOYSA-N 1 2 335.810 3.254 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1c[nH]c2ccc(F)cc12)C1CC1 ZINC001493455238 1396340217 /nfs/dbraw/zinc/34/02/17/1396340217.db2.gz XPLMPTDZZTZVKS-UHFFFAOYSA-N 1 2 335.810 3.254 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)CCc1cncc(C)c1 ZINC001690450145 1404574740 /nfs/dbraw/zinc/57/47/40/1404574740.db2.gz AUPDGXMPAIMCII-QGZVFWFLSA-N 1 2 335.879 3.046 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCc1cncc(C)c1 ZINC001690450145 1404574742 /nfs/dbraw/zinc/57/47/42/1404574742.db2.gz AUPDGXMPAIMCII-QGZVFWFLSA-N 1 2 335.879 3.046 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cccc2cnccc21)C1CC1 ZINC001691236344 1405176189 /nfs/dbraw/zinc/17/61/89/1405176189.db2.gz ARLWCWWZWXNBNU-UHFFFAOYSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cccc2cnccc21)C1CC1 ZINC001691236344 1405176192 /nfs/dbraw/zinc/17/61/92/1405176192.db2.gz ARLWCWWZWXNBNU-UHFFFAOYSA-N 1 2 329.831 3.182 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)CCCC1CC1 ZINC001691396032 1405233753 /nfs/dbraw/zinc/23/37/53/1405233753.db2.gz SYJXPCBPNSLBAF-IBGZPJMESA-N 1 2 325.456 3.171 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)CCCC1CC1 ZINC001691396032 1405233759 /nfs/dbraw/zinc/23/37/59/1405233759.db2.gz SYJXPCBPNSLBAF-IBGZPJMESA-N 1 2 325.456 3.171 20 30 EGEDLO CCC1(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)CCCC1 ZINC001692342522 1405961886 /nfs/dbraw/zinc/96/18/86/1405961886.db2.gz UONDOWAPNUOEPN-UHFFFAOYSA-N 1 2 343.446 3.216 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc(Cl)ccc1F)C1CC1 ZINC001731878146 1428145968 /nfs/dbraw/zinc/14/59/68/1428145968.db2.gz DXYDUSBNULSLEK-UHFFFAOYSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc(Cl)ccc1F)C1CC1 ZINC001731878146 1428145972 /nfs/dbraw/zinc/14/59/72/1428145972.db2.gz DXYDUSBNULSLEK-UHFFFAOYSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)c1cccc2nc[nH]c21 ZINC001732469677 1428598606 /nfs/dbraw/zinc/59/86/06/1428598606.db2.gz LZZOYPDBCIOMSF-CYBMUJFWSA-N 1 2 334.851 3.050 20 30 EGEDLO C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)c1cccc2nc[nH]c21 ZINC001732469678 1428598642 /nfs/dbraw/zinc/59/86/42/1428598642.db2.gz LZZOYPDBCIOMSF-ZDUSSCGKSA-N 1 2 334.851 3.050 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1sc(CCC)nc1C ZINC001699470926 1412848704 /nfs/dbraw/zinc/84/87/04/1412848704.db2.gz ZOBUAKNLNLJDBU-LLVKDONJSA-N 1 2 329.897 3.207 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1sc(CCC)nc1C ZINC001699470926 1412848707 /nfs/dbraw/zinc/84/87/07/1412848707.db2.gz ZOBUAKNLNLJDBU-LLVKDONJSA-N 1 2 329.897 3.207 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)C1CCCCC1 ZINC001700188564 1413613369 /nfs/dbraw/zinc/61/33/69/1413613369.db2.gz XZYYMCQEGHYTMX-UHFFFAOYSA-N 1 2 331.298 3.256 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)C1CCCCC1 ZINC001700188564 1413613368 /nfs/dbraw/zinc/61/33/68/1413613368.db2.gz XZYYMCQEGHYTMX-UHFFFAOYSA-N 1 2 331.298 3.256 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cc(Cl)ccc1OC ZINC001700485635 1414131154 /nfs/dbraw/zinc/13/11/54/1414131154.db2.gz NGEJFDDQXDBFMK-NSHDSACASA-N 1 2 331.243 3.151 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cc(Cl)ccc1OC ZINC001700485635 1414131156 /nfs/dbraw/zinc/13/11/56/1414131156.db2.gz NGEJFDDQXDBFMK-NSHDSACASA-N 1 2 331.243 3.151 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCC2(C)CC2)C1 ZINC001713397600 1418016405 /nfs/dbraw/zinc/01/64/05/1418016405.db2.gz LNTCPJSCDZIWKM-CQSZACIVSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)CCC2(C)CC2)C1 ZINC001713397600 1418016411 /nfs/dbraw/zinc/01/64/11/1418016411.db2.gz LNTCPJSCDZIWKM-CQSZACIVSA-N 1 2 343.309 3.398 20 30 EGEDLO C[N@H+](CCNC(=O)C1CCC2(CC2)CC1)Cc1cc(C#N)ccc1F ZINC001713461135 1418118390 /nfs/dbraw/zinc/11/83/90/1418118390.db2.gz OCEVLZNDMCZUGK-UHFFFAOYSA-N 1 2 343.446 3.216 20 30 EGEDLO C[N@@H+](CCNC(=O)C1CCC2(CC2)CC1)Cc1cc(C#N)ccc1F ZINC001713461135 1418118394 /nfs/dbraw/zinc/11/83/94/1418118394.db2.gz OCEVLZNDMCZUGK-UHFFFAOYSA-N 1 2 343.446 3.216 20 30 EGEDLO C[N@H+](CCNC(=O)c1coc2ccccc21)Cc1ccccc1C#N ZINC001714574161 1419309317 /nfs/dbraw/zinc/30/93/17/1419309317.db2.gz OMNXEKQYWCNURM-UHFFFAOYSA-N 1 2 333.391 3.166 20 30 EGEDLO C[N@@H+](CCNC(=O)c1coc2ccccc21)Cc1ccccc1C#N ZINC001714574161 1419309321 /nfs/dbraw/zinc/30/93/21/1419309321.db2.gz OMNXEKQYWCNURM-UHFFFAOYSA-N 1 2 333.391 3.166 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)COC2CCCCC2)C1 ZINC001715039213 1419776524 /nfs/dbraw/zinc/77/65/24/1419776524.db2.gz JYYYLLGUKZGEJJ-HNNXBMFYSA-N 1 2 328.884 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)COC2CCCCC2)C1 ZINC001715039213 1419776527 /nfs/dbraw/zinc/77/65/27/1419776527.db2.gz JYYYLLGUKZGEJJ-HNNXBMFYSA-N 1 2 328.884 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc(C2CCCCC2)n[nH]1 ZINC001715859679 1420370369 /nfs/dbraw/zinc/37/03/69/1420370369.db2.gz QPSCFWUHXBRBEW-UHFFFAOYSA-N 1 2 338.883 3.214 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc(C2CCCCC2)n[nH]1 ZINC001715859679 1420370372 /nfs/dbraw/zinc/37/03/72/1420370372.db2.gz QPSCFWUHXBRBEW-UHFFFAOYSA-N 1 2 338.883 3.214 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)CC2CCCC2)CC1 ZINC001716791802 1420925005 /nfs/dbraw/zinc/92/50/05/1420925005.db2.gz FULVDUJGTXTWRX-UHFFFAOYSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)C(CC)CC ZINC001725038469 1425460617 /nfs/dbraw/zinc/46/06/17/1425460617.db2.gz VEUVYOPUONWPEM-CQSZACIVSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)C(CC)CC ZINC001725038469 1425460619 /nfs/dbraw/zinc/46/06/19/1425460619.db2.gz VEUVYOPUONWPEM-CQSZACIVSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+]1CCCCC[C@@H]1CNC(=O)C1(C)CC1 ZINC001725234937 1425817847 /nfs/dbraw/zinc/81/78/47/1425817847.db2.gz AMAWOIRMRORMDA-CYBMUJFWSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C1(C)CC1 ZINC001725234937 1425817855 /nfs/dbraw/zinc/81/78/55/1425817855.db2.gz AMAWOIRMRORMDA-CYBMUJFWSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)CC(C)(C)C1CC1 ZINC001731824408 1428027469 /nfs/dbraw/zinc/02/74/69/1428027469.db2.gz SIXNVJDXTTXWFY-AWEZNQCLSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)CC(C)(C)C1CC1 ZINC001731824408 1428027474 /nfs/dbraw/zinc/02/74/74/1428027474.db2.gz SIXNVJDXTTXWFY-AWEZNQCLSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cc1c[nH]c2c1cccc2C)C1CC1 ZINC001731882870 1428154767 /nfs/dbraw/zinc/15/47/67/1428154767.db2.gz VSEZWBIATPTMPN-UHFFFAOYSA-N 1 2 345.874 3.352 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)Cc1c[nH]c2c1cccc2C)C1CC1 ZINC001731882870 1428154769 /nfs/dbraw/zinc/15/47/69/1428154769.db2.gz VSEZWBIATPTMPN-UHFFFAOYSA-N 1 2 345.874 3.352 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1ccc(C)s1 ZINC001733765940 1429987284 /nfs/dbraw/zinc/98/72/84/1429987284.db2.gz LLHXFRYAKZNRHN-UHFFFAOYSA-N 1 2 345.306 3.359 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1ccc(C)s1 ZINC001733765940 1429987282 /nfs/dbraw/zinc/98/72/82/1429987282.db2.gz LLHXFRYAKZNRHN-UHFFFAOYSA-N 1 2 345.306 3.359 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC[N@@H+](C)Cc1ncc(Cl)s1 ZINC001752039755 1440134669 /nfs/dbraw/zinc/13/46/69/1440134669.db2.gz PJDFEPNPYADXOP-UHFFFAOYSA-N 1 2 329.897 3.337 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC[N@H+](C)Cc1ncc(Cl)s1 ZINC001752039755 1440134671 /nfs/dbraw/zinc/13/46/71/1440134671.db2.gz PJDFEPNPYADXOP-UHFFFAOYSA-N 1 2 329.897 3.337 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)[NH2+]Cc2ncc(C3CC3)o2)CCCC1 ZINC001752924863 1440249715 /nfs/dbraw/zinc/24/97/15/1440249715.db2.gz QZGSOWTVUZBPCL-CQSZACIVSA-N 1 2 331.460 3.283 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC001753098294 1440303519 /nfs/dbraw/zinc/30/35/19/1440303519.db2.gz UXJSKQJTNHJJGA-DGCLKSJQSA-N 1 2 340.254 3.234 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC001753098294 1440303520 /nfs/dbraw/zinc/30/35/20/1440303520.db2.gz UXJSKQJTNHJJGA-DGCLKSJQSA-N 1 2 340.254 3.234 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ncc(C(C)C)o1 ZINC001753101788 1440304441 /nfs/dbraw/zinc/30/44/41/1440304441.db2.gz XQNWBSODYSCKCC-INIZCTEOSA-N 1 2 331.460 3.072 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ncc(C(C)C)o1 ZINC001753101788 1440304442 /nfs/dbraw/zinc/30/44/42/1440304442.db2.gz XQNWBSODYSCKCC-INIZCTEOSA-N 1 2 331.460 3.072 20 30 EGEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)C1CC2(CCC2)C1)C1CC1 ZINC001753159166 1440332667 /nfs/dbraw/zinc/33/26/67/1440332667.db2.gz GHXCVPKUAGLWFC-UHFFFAOYSA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@H+](CCNC(=O)C1CC2(CCC2)C1)C1CC1 ZINC001753159166 1440332668 /nfs/dbraw/zinc/33/26/68/1440332668.db2.gz GHXCVPKUAGLWFC-UHFFFAOYSA-N 1 2 337.467 3.219 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)NCC[N@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001753159695 1440332881 /nfs/dbraw/zinc/33/28/81/1440332881.db2.gz XIGDZOJJRMKOOI-CRAIPNDOSA-N 1 2 343.446 3.214 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)NCC[N@@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001753159695 1440332882 /nfs/dbraw/zinc/33/28/82/1440332882.db2.gz XIGDZOJJRMKOOI-CRAIPNDOSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)CC2(OC)CCC2)C1 ZINC001753315543 1440359232 /nfs/dbraw/zinc/35/92/32/1440359232.db2.gz BCWRNZQWEWDZBY-OAHLLOKOSA-N 1 2 328.884 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)CC2(OC)CCC2)C1 ZINC001753315543 1440359233 /nfs/dbraw/zinc/35/92/33/1440359233.db2.gz BCWRNZQWEWDZBY-OAHLLOKOSA-N 1 2 328.884 3.011 20 30 EGEDLO CC#CCCCC(=O)N(CCC)[C@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001753318784 1440361580 /nfs/dbraw/zinc/36/15/80/1440361580.db2.gz PTIAGFIDYQDLRG-KRWDZBQOSA-N 1 2 347.528 3.458 20 30 EGEDLO CC#CCCCC(=O)N(CCC)[C@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001753318784 1440361581 /nfs/dbraw/zinc/36/15/81/1440361581.db2.gz PTIAGFIDYQDLRG-KRWDZBQOSA-N 1 2 347.528 3.458 20 30 EGEDLO C=CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccnc1)c1ccccc1 ZINC001753427977 1440397509 /nfs/dbraw/zinc/39/75/09/1440397509.db2.gz ROPVLJFQAIGKQB-PCCBWWKXSA-N 1 2 347.462 3.227 20 30 EGEDLO C=CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccnc1)c1ccccc1 ZINC001753427977 1440397510 /nfs/dbraw/zinc/39/75/10/1440397510.db2.gz ROPVLJFQAIGKQB-PCCBWWKXSA-N 1 2 347.462 3.227 20 30 EGEDLO C=C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccn1)c1ccccc1 ZINC001753428158 1440397627 /nfs/dbraw/zinc/39/76/27/1440397627.db2.gz YPIZSYXVFVTASL-YYWHXJBOSA-N 1 2 347.462 3.227 20 30 EGEDLO C=C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccn1)c1ccccc1 ZINC001753428158 1440397628 /nfs/dbraw/zinc/39/76/28/1440397628.db2.gz YPIZSYXVFVTASL-YYWHXJBOSA-N 1 2 347.462 3.227 20 30 EGEDLO CN(C(=O)/C=C\C(C)(C)C)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001753432352 1440398825 /nfs/dbraw/zinc/39/88/25/1440398825.db2.gz PRHNJPWOVFPQLT-CNRGFGOASA-N 1 2 343.446 3.332 20 30 EGEDLO CN(C(=O)/C=C\C(C)(C)C)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001753432352 1440398826 /nfs/dbraw/zinc/39/88/26/1440398826.db2.gz PRHNJPWOVFPQLT-CNRGFGOASA-N 1 2 343.446 3.332 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N(C)[C@H]1CC[N@H+](Cc2ncoc2C(C)C)C1 ZINC001753441323 1440401840 /nfs/dbraw/zinc/40/18/40/1440401840.db2.gz HFGYRUJRBIJAFA-HOTGVXAUSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001753441323 1440401841 /nfs/dbraw/zinc/40/18/41/1440401841.db2.gz HFGYRUJRBIJAFA-HOTGVXAUSA-N 1 2 333.476 3.433 20 30 EGEDLO CCN(C(=O)[C@@H](C)C(C)C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001753458590 1440409339 /nfs/dbraw/zinc/40/93/39/1440409339.db2.gz JAPTZXWOQRJTJN-HNAYVOBHSA-N 1 2 345.462 3.412 20 30 EGEDLO CCN(C(=O)[C@@H](C)C(C)C)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001753458590 1440409340 /nfs/dbraw/zinc/40/93/40/1440409340.db2.gz JAPTZXWOQRJTJN-HNAYVOBHSA-N 1 2 345.462 3.412 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)C[C@H]2OCc3ccccc32)C1 ZINC001753461241 1440410682 /nfs/dbraw/zinc/41/06/82/1440410682.db2.gz GZOGBQQHPNCHAA-FUHWJXTLSA-N 1 2 348.874 3.323 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)C[C@H]2OCc3ccccc32)C1 ZINC001753461241 1440410683 /nfs/dbraw/zinc/41/06/83/1440410683.db2.gz GZOGBQQHPNCHAA-FUHWJXTLSA-N 1 2 348.874 3.323 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1C[N@H+](Cc2cc3ccccc3o2)CCO1 ZINC001753649262 1440456203 /nfs/dbraw/zinc/45/62/03/1440456203.db2.gz UKVLQRKXUDUXOS-GOSISDBHSA-N 1 2 342.439 3.106 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)CCO1 ZINC001753649262 1440456204 /nfs/dbraw/zinc/45/62/04/1440456204.db2.gz UKVLQRKXUDUXOS-GOSISDBHSA-N 1 2 342.439 3.106 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1C[N@H+](C/C=C/c2ccccc2)CCO1 ZINC001753652234 1440456581 /nfs/dbraw/zinc/45/65/81/1440456581.db2.gz CZCWNIFZIRTCHF-FFQNAWCLSA-N 1 2 342.483 3.119 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1C[N@@H+](C/C=C/c2ccccc2)CCO1 ZINC001753652234 1440456582 /nfs/dbraw/zinc/45/65/82/1440456582.db2.gz CZCWNIFZIRTCHF-FFQNAWCLSA-N 1 2 342.483 3.119 20 30 EGEDLO CCCC[C@@H](C)C(=O)N(C)CC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001753851921 1440507193 /nfs/dbraw/zinc/50/71/93/1440507193.db2.gz VKBKHTGUAIUTTM-OAHLLOKOSA-N 1 2 333.451 3.414 20 30 EGEDLO CCCC[C@@H](C)C(=O)N(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001753851921 1440507194 /nfs/dbraw/zinc/50/71/94/1440507194.db2.gz VKBKHTGUAIUTTM-OAHLLOKOSA-N 1 2 333.451 3.414 20 30 EGEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)CC(C)(C)C1CC1 ZINC001753852575 1440507503 /nfs/dbraw/zinc/50/75/03/1440507503.db2.gz SMIAXUYCEVJJBS-UHFFFAOYSA-N 1 2 345.462 3.414 20 30 EGEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)CC(C)(C)C1CC1 ZINC001753852575 1440507504 /nfs/dbraw/zinc/50/75/04/1440507504.db2.gz SMIAXUYCEVJJBS-UHFFFAOYSA-N 1 2 345.462 3.414 20 30 EGEDLO C=CC(C)(C)C(=O)N(C)CC[N@H+](C)Cc1nc(C)c2ccccc2n1 ZINC001753859326 1440510816 /nfs/dbraw/zinc/51/08/16/1440510816.db2.gz KOPXWDFJMJBBCQ-UHFFFAOYSA-N 1 2 340.471 3.041 20 30 EGEDLO C=CC(C)(C)C(=O)N(C)CC[N@@H+](C)Cc1nc(C)c2ccccc2n1 ZINC001753859326 1440510817 /nfs/dbraw/zinc/51/08/17/1440510817.db2.gz KOPXWDFJMJBBCQ-UHFFFAOYSA-N 1 2 340.471 3.041 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@@H]1CCc2ccccc2C1 ZINC001753867907 1440515624 /nfs/dbraw/zinc/51/56/24/1440515624.db2.gz KSQUBTFFJOTIHH-MRXNPFEDSA-N 1 2 334.891 3.324 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@@H]1CCc2ccccc2C1 ZINC001753867907 1440515625 /nfs/dbraw/zinc/51/56/25/1440515625.db2.gz KSQUBTFFJOTIHH-MRXNPFEDSA-N 1 2 334.891 3.324 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1cc(-c2ccco2)on1 ZINC001754312179 1440573701 /nfs/dbraw/zinc/57/37/01/1440573701.db2.gz XZZWUDSFTCNJBH-AWEZNQCLSA-N 1 2 345.443 3.473 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(-c2ccco2)on1 ZINC001754312179 1440573702 /nfs/dbraw/zinc/57/37/02/1440573702.db2.gz XZZWUDSFTCNJBH-AWEZNQCLSA-N 1 2 345.443 3.473 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1sc(C)nc1CC(C)C ZINC001754316116 1440575508 /nfs/dbraw/zinc/57/55/08/1440575508.db2.gz QLKDQJMCECPIPU-LBPRGKRZSA-N 1 2 343.924 3.453 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1sc(C)nc1CC(C)C ZINC001754316116 1440575509 /nfs/dbraw/zinc/57/55/09/1440575509.db2.gz QLKDQJMCECPIPU-LBPRGKRZSA-N 1 2 343.924 3.453 20 30 EGEDLO C[C@H](C(=O)NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)c1ccccc1 ZINC001754499087 1440613155 /nfs/dbraw/zinc/61/31/55/1440613155.db2.gz BASSGAXTOITNJS-GHTZIAJQSA-N 1 2 332.447 3.032 20 30 EGEDLO C[C@H](C(=O)NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)c1ccccc1 ZINC001754499087 1440613156 /nfs/dbraw/zinc/61/31/56/1440613156.db2.gz BASSGAXTOITNJS-GHTZIAJQSA-N 1 2 332.447 3.032 20 30 EGEDLO CCC[C@@H](C)C(=O)N[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001754668784 1440657433 /nfs/dbraw/zinc/65/74/33/1440657433.db2.gz RZFCAOCUXCMPNY-KUHUBIRLSA-N 1 2 331.435 3.214 20 30 EGEDLO CCC[C@@H](C)C(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001754668784 1440657434 /nfs/dbraw/zinc/65/74/34/1440657434.db2.gz RZFCAOCUXCMPNY-KUHUBIRLSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@](C)(CNC(=O)[C@H](C)CC)C1 ZINC001754723174 1440674128 /nfs/dbraw/zinc/67/41/28/1440674128.db2.gz HQMOBGSEAIKLGP-IUODEOHRSA-N 1 2 331.298 3.159 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C)CC)C1 ZINC001754723174 1440674129 /nfs/dbraw/zinc/67/41/29/1440674129.db2.gz HQMOBGSEAIKLGP-IUODEOHRSA-N 1 2 331.298 3.159 20 30 EGEDLO C=CCCCC(=O)NC[C@@]1(C)CCC[N@@H+]([C@@H](C)c2nc(CC)no2)C1 ZINC001754729617 1440678378 /nfs/dbraw/zinc/67/83/78/1440678378.db2.gz NQJNCYFCVGBHKG-HNAYVOBHSA-N 1 2 348.491 3.268 20 30 EGEDLO C=CCCCC(=O)NC[C@@]1(C)CCC[N@H+]([C@@H](C)c2nc(CC)no2)C1 ZINC001754729617 1440678379 /nfs/dbraw/zinc/67/83/79/1440678379.db2.gz NQJNCYFCVGBHKG-HNAYVOBHSA-N 1 2 348.491 3.268 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCC[N@@H+](Cc2nc(CCC)no2)CC1 ZINC001755030091 1440731183 /nfs/dbraw/zinc/73/11/83/1440731183.db2.gz URWHLIIDJAIWEG-DNVCBOLYSA-N 1 2 348.491 3.095 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCC[N@H+](Cc2nc(CCC)no2)CC1 ZINC001755030091 1440731184 /nfs/dbraw/zinc/73/11/84/1440731184.db2.gz URWHLIIDJAIWEG-DNVCBOLYSA-N 1 2 348.491 3.095 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCOC2(C[NH+](CC3=CCCCC3)C2)C1 ZINC001755052035 1440743042 /nfs/dbraw/zinc/74/30/42/1440743042.db2.gz NXQKBTLRNHHOFD-UHFFFAOYSA-N 1 2 344.499 3.168 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H](C)c1ccccc1C)O2 ZINC001755057424 1440744094 /nfs/dbraw/zinc/74/40/94/1440744094.db2.gz WPASGJCJFXEYIO-QZTJIDSGSA-N 1 2 342.483 3.024 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1Cc2ccccc2C[N@@H+]1C/C=C/Cl ZINC001755075426 1440748379 /nfs/dbraw/zinc/74/83/79/1440748379.db2.gz GKUHOOZOEUDZJN-PYUISTEWSA-N 1 2 332.875 3.494 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1Cc2ccccc2C[N@H+]1C/C=C/Cl ZINC001755075426 1440748380 /nfs/dbraw/zinc/74/83/80/1440748380.db2.gz GKUHOOZOEUDZJN-PYUISTEWSA-N 1 2 332.875 3.494 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)CCCCC(C)C ZINC001755075847 1440748655 /nfs/dbraw/zinc/74/86/55/1440748655.db2.gz OCJAQZDYRDINPE-FQEVSTJZSA-N 1 2 326.484 3.379 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CCCCC(C)C ZINC001755075847 1440748656 /nfs/dbraw/zinc/74/86/56/1440748656.db2.gz OCJAQZDYRDINPE-FQEVSTJZSA-N 1 2 326.484 3.379 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CC[N@H+](Cc2nnc(C(C)(C)C)o2)[C@H](C)C1 ZINC001755159237 1440763987 /nfs/dbraw/zinc/76/39/87/1440763987.db2.gz FJDKJWJMQCRLIU-CABCVRRESA-N 1 2 348.491 3.193 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](Cc2nnc(C(C)(C)C)o2)[C@H](C)C1 ZINC001755159237 1440763988 /nfs/dbraw/zinc/76/39/88/1440763988.db2.gz FJDKJWJMQCRLIU-CABCVRRESA-N 1 2 348.491 3.193 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@H+](Cc2nnc(C(C)(C)C)o2)[C@H](C)C1 ZINC001755159239 1440764048 /nfs/dbraw/zinc/76/40/48/1440764048.db2.gz FJDKJWJMQCRLIU-HUUCEWRRSA-N 1 2 348.491 3.193 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2nnc(C(C)(C)C)o2)[C@H](C)C1 ZINC001755159239 1440764049 /nfs/dbraw/zinc/76/40/49/1440764049.db2.gz FJDKJWJMQCRLIU-HUUCEWRRSA-N 1 2 348.491 3.193 20 30 EGEDLO CCC1(C(=O)N[C@@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@H](C)C2)CC1 ZINC001755162921 1440765476 /nfs/dbraw/zinc/76/54/76/1440765476.db2.gz BBYGHRNUKKJNBE-RDTXWAMCSA-N 1 2 343.446 3.357 20 30 EGEDLO CCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@H](C)C2)CC1 ZINC001755162921 1440765477 /nfs/dbraw/zinc/76/54/77/1440765477.db2.gz BBYGHRNUKKJNBE-RDTXWAMCSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)CCC2CC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001755169256 1440768289 /nfs/dbraw/zinc/76/82/89/1440768289.db2.gz LSSYSBVIVPHTSQ-AUUYWEPGSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)CCC2CC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001755169256 1440768290 /nfs/dbraw/zinc/76/82/90/1440768290.db2.gz LSSYSBVIVPHTSQ-AUUYWEPGSA-N 1 2 343.446 3.357 20 30 EGEDLO C=CCC1(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2nnc(C3CC3)o2)CCCC1 ZINC001755271235 1440797790 /nfs/dbraw/zinc/79/77/90/1440797790.db2.gz ZIQCQIZCOLBJFW-KGLIPLIRSA-N 1 2 346.475 3.066 20 30 EGEDLO C[C@H](CNC(=O)c1ccc(F)cc1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001755288806 1440802952 /nfs/dbraw/zinc/80/29/52/1440802952.db2.gz IYHGOXSYHKFUGH-CYBMUJFWSA-N 1 2 343.377 3.087 20 30 EGEDLO C[C@H](CNC(=O)c1ccc(F)cc1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001755288806 1440802953 /nfs/dbraw/zinc/80/29/53/1440802953.db2.gz IYHGOXSYHKFUGH-CYBMUJFWSA-N 1 2 343.377 3.087 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H](C)C1C[NH+](Cc2cccc(Cl)n2)C1 ZINC001755385061 1440840443 /nfs/dbraw/zinc/84/04/43/1440840443.db2.gz YPBMBBBZYXCFNU-KGLIPLIRSA-N 1 2 335.879 3.274 20 30 EGEDLO C[C@@H](NC(=O)C[C@H](C)C1CC1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001755390798 1440842073 /nfs/dbraw/zinc/84/20/73/1440842073.db2.gz BGTBFOYTBBABEC-UONOGXRCSA-N 1 2 343.446 3.070 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1ncc(C)cn1)CC2 ZINC001755701195 1440900299 /nfs/dbraw/zinc/90/02/99/1440900299.db2.gz JCRIHLMBQKOCAZ-OXQOHEQNSA-N 1 2 342.487 3.001 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1ncc(C)cn1)CC2 ZINC001755701195 1440900300 /nfs/dbraw/zinc/90/03/00/1440900300.db2.gz JCRIHLMBQKOCAZ-OXQOHEQNSA-N 1 2 342.487 3.001 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)Cc1ccc2n[nH]cc2c1)C(C)C ZINC001755812090 1440920919 /nfs/dbraw/zinc/92/09/19/1440920919.db2.gz LGLUTCGHMJRXPI-UHFFFAOYSA-N 1 2 348.878 3.027 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)Cc1ccc2n[nH]cc2c1)C(C)C ZINC001755812090 1440920920 /nfs/dbraw/zinc/92/09/20/1440920920.db2.gz LGLUTCGHMJRXPI-UHFFFAOYSA-N 1 2 348.878 3.027 20 30 EGEDLO CC(C)N(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)CCCF ZINC001755814141 1440922180 /nfs/dbraw/zinc/92/21/80/1440922180.db2.gz PYXFRYZOUACPPM-UHFFFAOYSA-N 1 2 337.414 3.116 20 30 EGEDLO CC(C)N(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)CCCF ZINC001755814141 1440922181 /nfs/dbraw/zinc/92/21/81/1440922181.db2.gz PYXFRYZOUACPPM-UHFFFAOYSA-N 1 2 337.414 3.116 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H](C[NH2+]Cc1nnsc1Cl)C(C)(C)C ZINC001755826006 1440927155 /nfs/dbraw/zinc/92/71/55/1440927155.db2.gz YUIYSLUWVIHZTD-LBPRGKRZSA-N 1 2 344.912 3.168 20 30 EGEDLO C=CC[NH+]1CCN(c2cnc(Cl)nc2Oc2ccccc2F)CC1 ZINC001165033992 721873074 /nfs/dbraw/zinc/87/30/74/721873074.db2.gz AZQLATUZDKBXNF-UHFFFAOYSA-N 1 2 348.809 3.369 20 30 EGEDLO COc1ccc([C@@H](CNCc2ccc(C#N)o2)[NH+]2CCCC2)cc1 ZINC000174243140 231159090 /nfs/dbraw/zinc/15/90/90/231159090.db2.gz JDUKFEDOZVSMKP-LJQANCHMSA-N 1 2 325.412 3.087 20 30 EGEDLO Cc1cccc2[nH+]cc(/C=C3\S/C(=N\C4CCCC4)NC3=O)n21 ZINC000098056289 219075758 /nfs/dbraw/zinc/07/57/58/219075758.db2.gz ZCHIRSOLLJGVOV-ZROIWOOFSA-N 1 2 326.425 3.145 20 30 EGEDLO N#Cc1ccc(NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000178586903 232278796 /nfs/dbraw/zinc/27/87/96/232278796.db2.gz PUYQSPLYDANJKJ-UHFFFAOYSA-N 1 2 338.386 3.047 20 30 EGEDLO N#Cc1cnc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c(Cl)c1 ZINC000264131814 246094436 /nfs/dbraw/zinc/09/44/36/246094436.db2.gz YJVITEWGUXLMJM-KRWDZBQOSA-N 1 2 342.830 3.092 20 30 EGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1ncc(C#N)cc1Cl ZINC000265111847 247213871 /nfs/dbraw/zinc/21/38/71/247213871.db2.gz HQSXEYPVEJUYSD-UHFFFAOYSA-N 1 2 329.713 3.002 20 30 EGEDLO C=CCOCCCC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000266274403 248215867 /nfs/dbraw/zinc/21/58/67/248215867.db2.gz RSAYKDDABOLOQH-QGZVFWFLSA-N 1 2 347.846 3.262 20 30 EGEDLO COc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c(OC)c1 ZINC000377251661 169003211 /nfs/dbraw/zinc/00/32/11/169003211.db2.gz QRNINRAKAYIZOG-HXUWFJFHSA-N 1 2 338.407 3.149 20 30 EGEDLO COc1ccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c(OC)c1 ZINC000377251661 169003213 /nfs/dbraw/zinc/00/32/13/169003213.db2.gz QRNINRAKAYIZOG-HXUWFJFHSA-N 1 2 338.407 3.149 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCc1ccccc1OC)Cc1cccs1 ZINC000010225998 211156220 /nfs/dbraw/zinc/15/62/20/211156220.db2.gz WNASHDOCTHCHFN-UHFFFAOYSA-N 1 2 330.453 3.061 20 30 EGEDLO C=CC[N@H+](CC(=O)NCc1ccccc1OC)Cc1cccs1 ZINC000010225998 211156223 /nfs/dbraw/zinc/15/62/23/211156223.db2.gz WNASHDOCTHCHFN-UHFFFAOYSA-N 1 2 330.453 3.061 20 30 EGEDLO CCc1nc([C@@H](C)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)cs1 ZINC000267681176 251249914 /nfs/dbraw/zinc/24/99/14/251249914.db2.gz MJKCMAGMNRYYDW-ZYHUDNBSSA-N 1 2 346.481 3.095 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCN(Cc2csc([C@H](C)OC)n2)CC1 ZINC000267827257 251386642 /nfs/dbraw/zinc/38/66/42/251386642.db2.gz ZIQMLLONIIRRAX-ZDUSSCGKSA-N 1 2 329.897 3.111 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCN(Cc2csc([C@H](C)OC)n2)CC1 ZINC000267827257 251386647 /nfs/dbraw/zinc/38/66/47/251386647.db2.gz ZIQMLLONIIRRAX-ZDUSSCGKSA-N 1 2 329.897 3.111 20 30 EGEDLO COC(=O)CC[N@H+](Cc1ccc(F)c(F)c1)Cc1ccccc1C#N ZINC000171952693 144013543 /nfs/dbraw/zinc/01/35/43/144013543.db2.gz MLUFTNFLCZPJHL-UHFFFAOYSA-N 1 2 344.361 3.402 20 30 EGEDLO COC(=O)CC[N@@H+](Cc1ccc(F)c(F)c1)Cc1ccccc1C#N ZINC000171952693 144013545 /nfs/dbraw/zinc/01/35/45/144013545.db2.gz MLUFTNFLCZPJHL-UHFFFAOYSA-N 1 2 344.361 3.402 20 30 EGEDLO COCC#CC[N@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000677818129 549336742 /nfs/dbraw/zinc/33/67/42/549336742.db2.gz FRHJSVMQZSJPGB-UHFFFAOYSA-N 1 2 326.209 3.202 20 30 EGEDLO COCC#CC[N@@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000677818129 549336747 /nfs/dbraw/zinc/33/67/47/549336747.db2.gz FRHJSVMQZSJPGB-UHFFFAOYSA-N 1 2 326.209 3.202 20 30 EGEDLO CN(C)c1nc2ccc(NCc3c[nH+]c4ccc(C#N)cn34)cc2o1 ZINC000119915236 152238682 /nfs/dbraw/zinc/23/86/82/152238682.db2.gz KMBUGAGGBPSTSC-UHFFFAOYSA-N 1 2 332.367 3.025 20 30 EGEDLO C[C@H]1C[N@H+](CCOc2ccccc2C#N)C[C@H](c2ccsc2)O1 ZINC000120923449 152311723 /nfs/dbraw/zinc/31/17/23/152311723.db2.gz JFCISPNTRJZCCE-KBXCAEBGSA-N 1 2 328.437 3.461 20 30 EGEDLO C[C@H]1C[N@@H+](CCOc2ccccc2C#N)C[C@H](c2ccsc2)O1 ZINC000120923449 152311727 /nfs/dbraw/zinc/31/17/27/152311727.db2.gz JFCISPNTRJZCCE-KBXCAEBGSA-N 1 2 328.437 3.461 20 30 EGEDLO CCC(CC)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC000263116317 153913948 /nfs/dbraw/zinc/91/39/48/153913948.db2.gz ZTDGHQJYLMBKRT-UHFFFAOYSA-N 1 2 343.471 3.003 20 30 EGEDLO N#Cc1nc(N2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1C(F)(F)F ZINC000336935188 163091656 /nfs/dbraw/zinc/09/16/56/163091656.db2.gz SUUBIPVADQYUKX-LBPRGKRZSA-N 1 2 334.301 3.025 20 30 EGEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cc(-c2ccco2)on1 ZINC000344106740 164103841 /nfs/dbraw/zinc/10/38/41/164103841.db2.gz IBGQUBYRRDXWCD-UHFFFAOYSA-N 1 2 337.379 3.455 20 30 EGEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cc(-c2ccco2)on1 ZINC000344106740 164103844 /nfs/dbraw/zinc/10/38/44/164103844.db2.gz IBGQUBYRRDXWCD-UHFFFAOYSA-N 1 2 337.379 3.455 20 30 EGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000351964750 165169246 /nfs/dbraw/zinc/16/92/46/165169246.db2.gz OREGTQSAEZIQNF-UHFFFAOYSA-N 1 2 331.341 3.298 20 30 EGEDLO N#Cc1ccc(Br)c(CN2CCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000365191433 168033205 /nfs/dbraw/zinc/03/32/05/168033205.db2.gz LPCFYVBTTPRDFO-CQSZACIVSA-N 1 2 331.217 3.381 20 30 EGEDLO COc1cc(C[NH2+][C@@H](C)c2noc(-c3ccccc3)n2)ccc1C#N ZINC000366902106 168154512 /nfs/dbraw/zinc/15/45/12/168154512.db2.gz WSOODGAVENHGEY-ZDUSSCGKSA-N 1 2 334.379 3.468 20 30 EGEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2ccc(C#N)c(Cl)n2)c1 ZINC000367114205 168180451 /nfs/dbraw/zinc/18/04/51/168180451.db2.gz NQCGVWCSEFVWEN-UHFFFAOYSA-N 1 2 337.770 3.259 20 30 EGEDLO COc1ccccc1-c1nnc(C[NH2+]C2(c3cccc(C#N)c3)CC2)o1 ZINC000367647339 168254578 /nfs/dbraw/zinc/25/45/78/168254578.db2.gz YMMKLVCBWOZMJU-UHFFFAOYSA-N 1 2 346.390 3.396 20 30 EGEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(C#N)cc1 ZINC000367672188 168257245 /nfs/dbraw/zinc/25/72/45/168257245.db2.gz MJHMPTWDFXXVHU-ZDUSSCGKSA-N 1 2 329.363 3.331 20 30 EGEDLO N#Cc1c(Br)cccc1N1CCN(c2cccc[nH+]2)CC1 ZINC000168456398 226215302 /nfs/dbraw/zinc/21/53/02/226215302.db2.gz WIVMAEJRBUFNNR-UHFFFAOYSA-N 1 2 343.228 3.042 20 30 EGEDLO Cc1cc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)c(C#N)cn1 ZINC000425197122 269914564 /nfs/dbraw/zinc/91/45/64/269914564.db2.gz AQTVXBPSFYARAO-UHFFFAOYSA-N 1 2 332.860 3.299 20 30 EGEDLO N#Cc1cc(F)c(N2CC[NH+](CCOc3ccccc3)CC2)c(F)c1 ZINC000301096897 270043367 /nfs/dbraw/zinc/04/33/67/270043367.db2.gz IZDKUPOKSRSBIX-UHFFFAOYSA-N 1 2 343.377 3.037 20 30 EGEDLO N#Cc1ncc(C(F)(F)F)cc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000413268330 270046995 /nfs/dbraw/zinc/04/69/95/270046995.db2.gz OMVUNYDOJMRVIL-CYBMUJFWSA-N 1 2 334.301 3.025 20 30 EGEDLO N#Cc1cccc(N2CCC(CCCn3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000450436585 270052963 /nfs/dbraw/zinc/05/29/63/270052963.db2.gz JLOZBBRTFCXTEJ-UHFFFAOYSA-N 1 2 339.399 3.360 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000479104515 270055826 /nfs/dbraw/zinc/05/58/26/270055826.db2.gz RIMBJZXNNWRKHL-QGZVFWFLSA-N 1 2 339.826 3.467 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000479104515 270055828 /nfs/dbraw/zinc/05/58/28/270055828.db2.gz RIMBJZXNNWRKHL-QGZVFWFLSA-N 1 2 339.826 3.467 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccc(Cl)cc1F ZINC000491349738 270057528 /nfs/dbraw/zinc/05/75/28/270057528.db2.gz JWDJPPGWKGRVEF-QGZVFWFLSA-N 1 2 338.773 3.463 20 30 EGEDLO N#Cc1ccc(F)c(CN2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000178771043 265340738 /nfs/dbraw/zinc/34/07/38/265340738.db2.gz AMDSCOZKHCCRQM-UHFFFAOYSA-N 1 2 327.378 3.154 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c(Cl)c1 ZINC000526135604 270059682 /nfs/dbraw/zinc/05/96/82/270059682.db2.gz VZWYZWCMTNFQJJ-AWEZNQCLSA-N 1 2 332.753 3.347 20 30 EGEDLO CC(C)OC1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000533338749 270060857 /nfs/dbraw/zinc/06/08/57/270060857.db2.gz JDHZEJUDNUOMSB-UHFFFAOYSA-N 1 2 335.835 3.040 20 30 EGEDLO CCS[C@@H](C)c1noc(C[N@H+](C)CCOc2ccccc2C#N)n1 ZINC000178449625 266346232 /nfs/dbraw/zinc/34/62/32/266346232.db2.gz YWSNJPKHAUPFDR-ZDUSSCGKSA-N 1 2 346.456 3.266 20 30 EGEDLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCOc2ccccc2C#N)n1 ZINC000178449625 266346236 /nfs/dbraw/zinc/34/62/36/266346236.db2.gz YWSNJPKHAUPFDR-ZDUSSCGKSA-N 1 2 346.456 3.266 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)Cc2ccccc2O1 ZINC000292422130 267056367 /nfs/dbraw/zinc/05/63/67/267056367.db2.gz MWEFTGNLQHVPKL-CQSZACIVSA-N 1 2 346.390 3.391 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)Cc2ccccc2O1 ZINC000292422130 267056369 /nfs/dbraw/zinc/05/63/69/267056369.db2.gz MWEFTGNLQHVPKL-CQSZACIVSA-N 1 2 346.390 3.391 20 30 EGEDLO CCOC(=O)C[N@H+](CCc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000483956243 267116585 /nfs/dbraw/zinc/11/65/85/267116585.db2.gz ZXNQAAWSNCAJKS-UHFFFAOYSA-N 1 2 340.398 3.305 20 30 EGEDLO CCOC(=O)C[N@@H+](CCc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000483956243 267116588 /nfs/dbraw/zinc/11/65/88/267116588.db2.gz ZXNQAAWSNCAJKS-UHFFFAOYSA-N 1 2 340.398 3.305 20 30 EGEDLO CC[C@@H]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000474188571 267200247 /nfs/dbraw/zinc/20/02/47/267200247.db2.gz JKSORHAVTKUXRX-WOJBJXKFSA-N 1 2 339.483 3.419 20 30 EGEDLO C[C@H](c1ccc(F)c(F)c1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193766215 267208266 /nfs/dbraw/zinc/20/82/66/267208266.db2.gz BZQHJTFBQFVYNV-CYBMUJFWSA-N 1 2 328.366 3.115 20 30 EGEDLO C[C@H]1CN(c2ccc(CNc3cccc(Cl)c3C#N)c[nH+]2)CCO1 ZINC000298688355 267239333 /nfs/dbraw/zinc/23/93/33/267239333.db2.gz CBVNFPXKDYOOGJ-ZDUSSCGKSA-N 1 2 342.830 3.444 20 30 EGEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CCCCOc1cccc(C#N)c1 ZINC000456377997 267257519 /nfs/dbraw/zinc/25/75/19/267257519.db2.gz IKRFBFPWLQPBFI-OAHLLOKOSA-N 1 2 340.427 3.201 20 30 EGEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416737044 267259063 /nfs/dbraw/zinc/25/90/63/267259063.db2.gz XWIXYRSSLLGNPJ-SUMWQHHRSA-N 1 2 337.427 3.212 20 30 EGEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416737042 267259197 /nfs/dbraw/zinc/25/91/97/267259197.db2.gz XWIXYRSSLLGNPJ-GUYCJALGSA-N 1 2 337.427 3.212 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000442881796 267810932 /nfs/dbraw/zinc/81/09/32/267810932.db2.gz OAJNMLCVMWKNSR-GFCCVEGCSA-N 1 2 349.862 3.428 20 30 EGEDLO Cc1cn2c([nH+]1)[C@@H](CNc1cc(C(F)(F)F)cnc1C#N)CCC2 ZINC000413194494 268069586 /nfs/dbraw/zinc/06/95/86/268069586.db2.gz BPBQGZJQOROSMR-LLVKDONJSA-N 1 2 335.333 3.467 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H](C(F)(F)F)C3)o2)c1 ZINC000331264831 268228699 /nfs/dbraw/zinc/22/86/99/268228699.db2.gz OWZVVJDAKKQETB-CYBMUJFWSA-N 1 2 336.317 3.383 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H](C(F)(F)F)C3)o2)c1 ZINC000331264831 268228701 /nfs/dbraw/zinc/22/87/01/268228701.db2.gz OWZVVJDAKKQETB-CYBMUJFWSA-N 1 2 336.317 3.383 20 30 EGEDLO N#Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)s1 ZINC000421605890 268231082 /nfs/dbraw/zinc/23/10/82/268231082.db2.gz XTGOIUGELWZETN-KRWDZBQOSA-N 1 2 343.427 3.040 20 30 EGEDLO N#Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)s1 ZINC000421605890 268231085 /nfs/dbraw/zinc/23/10/85/268231085.db2.gz XTGOIUGELWZETN-KRWDZBQOSA-N 1 2 343.427 3.040 20 30 EGEDLO N#Cc1ccccc1Oc1ccccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000181744900 268285178 /nfs/dbraw/zinc/28/51/78/268285178.db2.gz BIDCXLBGPKIAJW-UHFFFAOYSA-N 1 2 332.363 3.046 20 30 EGEDLO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492771356 311289097 /nfs/dbraw/zinc/28/90/97/311289097.db2.gz SFLZMRSYIOSCSC-QPJJXVBHSA-N 1 2 345.362 3.429 20 30 EGEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1)c1ccc(C#N)c(F)c1 ZINC000540709429 314398635 /nfs/dbraw/zinc/39/86/35/314398635.db2.gz DCPFKGJLHQUSSA-LLVKDONJSA-N 1 2 339.349 3.472 20 30 EGEDLO C[C@@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc(C#N)c(F)c1 ZINC000540709429 314398639 /nfs/dbraw/zinc/39/86/39/314398639.db2.gz DCPFKGJLHQUSSA-LLVKDONJSA-N 1 2 339.349 3.472 20 30 EGEDLO N#Cc1cc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)ccc1Cl ZINC000544604118 314706054 /nfs/dbraw/zinc/70/60/54/314706054.db2.gz HTTWHVCMNWMOFR-UHFFFAOYSA-N 1 2 345.855 3.231 20 30 EGEDLO CCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(F)F ZINC000133328848 454413638 /nfs/dbraw/zinc/41/36/38/454413638.db2.gz ZLWBFAMKMZFOEN-UHFFFAOYSA-N 1 2 341.427 3.414 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000548754485 315042997 /nfs/dbraw/zinc/04/29/97/315042997.db2.gz PIBBYWZBAKPSNZ-BWACUDIHSA-N 1 2 347.846 3.038 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000548754485 315043001 /nfs/dbraw/zinc/04/30/01/315043001.db2.gz PIBBYWZBAKPSNZ-BWACUDIHSA-N 1 2 347.846 3.038 20 30 EGEDLO Cc1[nH+]c2cc(NC(=O)c3cc(C#N)cc(N(C)C)c3)ccc2n1C ZINC000556419989 315434539 /nfs/dbraw/zinc/43/45/39/315434539.db2.gz RTVOEJJWGPMCEF-UHFFFAOYSA-N 1 2 333.395 3.072 20 30 EGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000563687042 316055861 /nfs/dbraw/zinc/05/58/61/316055861.db2.gz LVHQHUKWCOCPGS-CYBMUJFWSA-N 1 2 336.420 3.023 20 30 EGEDLO C[C@H]1CCN(c2cc(C(F)(F)F)cnc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000564544644 316165519 /nfs/dbraw/zinc/16/55/19/316165519.db2.gz SNTHXIQHAZZVDW-XHDPSFHLSA-N 1 2 335.333 3.256 20 30 EGEDLO N#Cc1ccc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)nc1 ZINC000571124691 317153118 /nfs/dbraw/zinc/15/31/18/317153118.db2.gz DDWAMPLHMQASKE-UHFFFAOYSA-N 1 2 343.390 3.405 20 30 EGEDLO C#CC(C)(C)[N@H+](C)Cc1nc(Cc2cccc(Br)c2)no1 ZINC000285580845 455874531 /nfs/dbraw/zinc/87/45/31/455874531.db2.gz AWUYTQLCGZJUBK-UHFFFAOYSA-N 1 2 348.244 3.267 20 30 EGEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(Cc2cccc(Br)c2)no1 ZINC000285580845 455874535 /nfs/dbraw/zinc/87/45/35/455874535.db2.gz AWUYTQLCGZJUBK-UHFFFAOYSA-N 1 2 348.244 3.267 20 30 EGEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000172396135 323279465 /nfs/dbraw/zinc/27/94/65/323279465.db2.gz JLACIWAYMSAWQY-QGZVFWFLSA-N 1 2 333.435 3.006 20 30 EGEDLO COC(=O)c1cccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1C#N ZINC000581425598 325360629 /nfs/dbraw/zinc/36/06/29/325360629.db2.gz MMLPMWDYOSKDGR-CQSZACIVSA-N 1 2 333.391 3.410 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1C#N ZINC000581425598 325360631 /nfs/dbraw/zinc/36/06/31/325360631.db2.gz MMLPMWDYOSKDGR-CQSZACIVSA-N 1 2 333.391 3.410 20 30 EGEDLO CC(C)c1nnc(NC(=O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)s1 ZINC000330256869 457014507 /nfs/dbraw/zinc/01/45/07/457014507.db2.gz QJIRZTJGEIYBJI-TVQRCGJNSA-N 1 2 330.404 3.227 20 30 EGEDLO CC(C)c1nnc(NC(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)s1 ZINC000330256869 457014513 /nfs/dbraw/zinc/01/45/13/457014513.db2.gz QJIRZTJGEIYBJI-TVQRCGJNSA-N 1 2 330.404 3.227 20 30 EGEDLO COc1cccc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)c1 ZINC000003584055 452781258 /nfs/dbraw/zinc/78/12/58/452781258.db2.gz MNXGMMBTRZEUJS-UHFFFAOYSA-N 1 2 343.814 3.291 20 30 EGEDLO COc1cccc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)c1 ZINC000003584055 452781267 /nfs/dbraw/zinc/78/12/67/452781267.db2.gz MNXGMMBTRZEUJS-UHFFFAOYSA-N 1 2 343.814 3.291 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000007018050 453018009 /nfs/dbraw/zinc/01/80/09/453018009.db2.gz NBCSRRGVGGYZCO-MRXNPFEDSA-N 1 2 342.270 3.480 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000007018050 453018015 /nfs/dbraw/zinc/01/80/15/453018015.db2.gz NBCSRRGVGGYZCO-MRXNPFEDSA-N 1 2 342.270 3.480 20 30 EGEDLO Cc1cccc(C)c1OCCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023257591 453707737 /nfs/dbraw/zinc/70/77/37/453707737.db2.gz GFJMHTKCRLJVAE-UHFFFAOYSA-N 1 2 349.478 3.372 20 30 EGEDLO C=CCOc1ccccc1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000029669685 453830556 /nfs/dbraw/zinc/83/05/56/453830556.db2.gz PGPUUTXEJPUXGV-UHFFFAOYSA-N 1 2 347.418 3.426 20 30 EGEDLO C[C@H]([NH2+][C@@H](C)c1nccs1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000184397434 455377087 /nfs/dbraw/zinc/37/70/87/455377087.db2.gz ILOWFQLARJTQNL-CWVKQELPSA-N 1 2 334.489 3.113 20 30 EGEDLO C[C@@H](c1nnc(SCC#N)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000032875928 453894225 /nfs/dbraw/zinc/89/42/25/453894225.db2.gz MNMZKOBDQJOFEY-AWEZNQCLSA-N 1 2 327.457 3.430 20 30 EGEDLO C[N@H+](Cc1ccc(F)cc1F)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000083138886 453939940 /nfs/dbraw/zinc/93/99/40/453939940.db2.gz GZJGDAPIBHLNDC-HNNXBMFYSA-N 1 2 347.390 3.135 20 30 EGEDLO C[N@@H+](Cc1ccc(F)cc1F)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000083138886 453939943 /nfs/dbraw/zinc/93/99/43/453939943.db2.gz GZJGDAPIBHLNDC-HNNXBMFYSA-N 1 2 347.390 3.135 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000084116394 453970506 /nfs/dbraw/zinc/97/05/06/453970506.db2.gz UJAGMHDKSWDNIX-SFHVURJKSA-N 1 2 340.471 3.135 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000084116394 453970510 /nfs/dbraw/zinc/97/05/10/453970510.db2.gz UJAGMHDKSWDNIX-SFHVURJKSA-N 1 2 340.471 3.135 20 30 EGEDLO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076152561 453971860 /nfs/dbraw/zinc/97/18/60/453971860.db2.gz SRDATWAVRMGLBY-NZSAHSFTSA-N 1 2 325.456 3.159 20 30 EGEDLO C[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076152561 453971861 /nfs/dbraw/zinc/97/18/61/453971861.db2.gz SRDATWAVRMGLBY-NZSAHSFTSA-N 1 2 325.456 3.159 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000076153370 453972136 /nfs/dbraw/zinc/97/21/36/453972136.db2.gz LWCCBNYPILPHLX-OALUTQOASA-N 1 2 325.456 3.183 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000076153370 453972140 /nfs/dbraw/zinc/97/21/40/453972140.db2.gz LWCCBNYPILPHLX-OALUTQOASA-N 1 2 325.456 3.183 20 30 EGEDLO C=CC[N@H+](CC(=O)N1CCc2sccc2C1)Cc1ccccc1F ZINC000056312384 454050227 /nfs/dbraw/zinc/05/02/27/454050227.db2.gz XIVMLCYQOQXWEZ-UHFFFAOYSA-N 1 2 344.455 3.460 20 30 EGEDLO C=CC[N@@H+](CC(=O)N1CCc2sccc2C1)Cc1ccccc1F ZINC000056312384 454050228 /nfs/dbraw/zinc/05/02/28/454050228.db2.gz XIVMLCYQOQXWEZ-UHFFFAOYSA-N 1 2 344.455 3.460 20 30 EGEDLO C=CCN(Cc1ccccc1F)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000056864052 454086619 /nfs/dbraw/zinc/08/66/19/454086619.db2.gz KWKWGPATLNZCEH-UHFFFAOYSA-N 1 2 342.418 3.185 20 30 EGEDLO C=CCN1C(=O)c2ccccc2NC12CCN(c1cccc[nH+]1)CC2 ZINC000077472022 454110184 /nfs/dbraw/zinc/11/01/84/454110184.db2.gz APVKNOLJLHPWLC-UHFFFAOYSA-N 1 2 334.423 3.132 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000077500088 454113908 /nfs/dbraw/zinc/11/39/08/454113908.db2.gz UILYMRCQEBYKPM-KRWDZBQOSA-N 1 2 349.369 3.342 20 30 EGEDLO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[NH+]1CCC(C#N)CC1 ZINC000057877020 454154173 /nfs/dbraw/zinc/15/41/73/454154173.db2.gz JSSBXHZKNCELAG-UONOGXRCSA-N 1 2 325.412 3.234 20 30 EGEDLO CCc1nc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cs1 ZINC000046087019 454217171 /nfs/dbraw/zinc/21/71/71/454217171.db2.gz IFJQHZXDYSATLE-UHFFFAOYSA-N 1 2 326.469 3.289 20 30 EGEDLO CCc1nc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cs1 ZINC000046087019 454217177 /nfs/dbraw/zinc/21/71/77/454217177.db2.gz IFJQHZXDYSATLE-UHFFFAOYSA-N 1 2 326.469 3.289 20 30 EGEDLO C=CC[N@H+](CC(=O)N[C@@H]1CCCC[C@@H]1C)Cc1ccc(OC)cc1 ZINC000059423194 454260836 /nfs/dbraw/zinc/26/08/36/454260836.db2.gz QPNNGAATTPAZEW-QFBILLFUSA-N 1 2 330.472 3.378 20 30 EGEDLO C=CC[N@@H+](CC(=O)N[C@@H]1CCCC[C@@H]1C)Cc1ccc(OC)cc1 ZINC000059423194 454260839 /nfs/dbraw/zinc/26/08/39/454260839.db2.gz QPNNGAATTPAZEW-QFBILLFUSA-N 1 2 330.472 3.378 20 30 EGEDLO C=CCOc1ccc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000120163624 454266313 /nfs/dbraw/zinc/26/63/13/454266313.db2.gz FQSZHYYJPHPFRH-INIZCTEOSA-N 1 2 339.439 3.080 20 30 EGEDLO N#Cc1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)c(Br)c1 ZINC000120412588 454298470 /nfs/dbraw/zinc/29/84/70/454298470.db2.gz GPINEIYLUWVCSO-ZDUSSCGKSA-N 1 2 343.228 3.407 20 30 EGEDLO C[C@@H]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000131966866 454301953 /nfs/dbraw/zinc/30/19/53/454301953.db2.gz IXTIZAQBCPZWNF-WBMJQRKESA-N 1 2 328.803 3.131 20 30 EGEDLO COCC[N@H+](CCC#N)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000072688781 454327726 /nfs/dbraw/zinc/32/77/26/454327726.db2.gz RZHZYUUHMFTWLJ-UHFFFAOYSA-N 1 2 337.423 3.301 20 30 EGEDLO COCC[N@@H+](CCC#N)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000072688781 454327730 /nfs/dbraw/zinc/32/77/30/454327730.db2.gz RZHZYUUHMFTWLJ-UHFFFAOYSA-N 1 2 337.423 3.301 20 30 EGEDLO COc1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cc1F ZINC000078967034 454346546 /nfs/dbraw/zinc/34/65/46/454346546.db2.gz VAQCEMMDMBOIQT-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO N#CCOc1cccc(NC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000061966648 454363681 /nfs/dbraw/zinc/36/36/81/454363681.db2.gz OCPFADCQEFOOTG-RMKNXTFCSA-N 1 2 344.374 3.427 20 30 EGEDLO N#CCCCOc1cccc(NC(=O)Cc2cn3ccccc3[nH+]2)c1 ZINC000121056988 454384734 /nfs/dbraw/zinc/38/47/34/454384734.db2.gz NGUXCXHJAZWAFO-UHFFFAOYSA-N 1 2 334.379 3.198 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297747 454402982 /nfs/dbraw/zinc/40/29/82/454402982.db2.gz BXAIELHROSZLMC-UHFFFAOYSA-N 1 2 343.358 3.361 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297747 454402988 /nfs/dbraw/zinc/40/29/88/454402988.db2.gz BXAIELHROSZLMC-UHFFFAOYSA-N 1 2 343.358 3.361 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1)Cc1cccc(C#N)c1 ZINC000063300794 454403660 /nfs/dbraw/zinc/40/36/60/454403660.db2.gz WWMLMQWLGLKDRH-UHFFFAOYSA-N 1 2 341.361 3.463 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccc(F)c(F)c1)Cc1cccc(C#N)c1 ZINC000063300794 454403663 /nfs/dbraw/zinc/40/36/63/454403663.db2.gz WWMLMQWLGLKDRH-UHFFFAOYSA-N 1 2 341.361 3.463 20 30 EGEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000063400511 454409943 /nfs/dbraw/zinc/40/99/43/454409943.db2.gz TZKANWXSPORFRB-UHFFFAOYSA-N 1 2 345.406 3.104 20 30 EGEDLO CCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(F)F ZINC000133328848 454413635 /nfs/dbraw/zinc/41/36/35/454413635.db2.gz ZLWBFAMKMZFOEN-UHFFFAOYSA-N 1 2 341.427 3.414 20 30 EGEDLO C[C@H](O[NH+]=C(N)CCO)c1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000121330756 454421235 /nfs/dbraw/zinc/42/12/35/454421235.db2.gz FWZVECRIOLLBSR-QMMMGPOBSA-N 1 2 344.198 3.381 20 30 EGEDLO C=CC[N@@H+](C)CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1 ZINC000121517472 454446319 /nfs/dbraw/zinc/44/63/19/454446319.db2.gz AHBXPUZGHPVTTR-SFHVURJKSA-N 1 2 337.423 3.384 20 30 EGEDLO C=CC[N@H+](C)CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1 ZINC000121517472 454446326 /nfs/dbraw/zinc/44/63/26/454446326.db2.gz AHBXPUZGHPVTTR-SFHVURJKSA-N 1 2 337.423 3.384 20 30 EGEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000191119770 455446459 /nfs/dbraw/zinc/44/64/59/455446459.db2.gz IPYUOQMFTFYVQB-NSHDSACASA-N 1 2 331.243 3.455 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000051428067 454624795 /nfs/dbraw/zinc/62/47/95/454624795.db2.gz AHMZGOYQELJYAN-HNNXBMFYSA-N 1 2 342.468 3.195 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000051428067 454624802 /nfs/dbraw/zinc/62/48/02/454624802.db2.gz AHMZGOYQELJYAN-HNNXBMFYSA-N 1 2 342.468 3.195 20 30 EGEDLO C[C@@H](c1cc(F)ccc1F)[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000052074689 454653843 /nfs/dbraw/zinc/65/38/43/454653843.db2.gz IJRZFXIQPSGTCQ-ZDUSSCGKSA-N 1 2 335.398 3.300 20 30 EGEDLO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000052074689 454653848 /nfs/dbraw/zinc/65/38/48/454653848.db2.gz IJRZFXIQPSGTCQ-ZDUSSCGKSA-N 1 2 335.398 3.300 20 30 EGEDLO CCc1ccc(C2=CC[N@@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000093262975 454697319 /nfs/dbraw/zinc/69/73/19/454697319.db2.gz SKORJTLZEOCMLS-NRFANRHFSA-N 1 2 345.446 3.436 20 30 EGEDLO CCc1ccc(C2=CC[N@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000093262975 454697322 /nfs/dbraw/zinc/69/73/22/454697322.db2.gz SKORJTLZEOCMLS-NRFANRHFSA-N 1 2 345.446 3.436 20 30 EGEDLO C=C[C@@H](CC(=O)N1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000124320632 454717778 /nfs/dbraw/zinc/71/77/78/454717778.db2.gz HLYPIKKBPLQHHA-IBGZPJMESA-N 1 2 335.451 3.086 20 30 EGEDLO CC(C)Oc1cccc(CNC(=O)C[N@H+](CCC#N)CC(C)(C)C)c1 ZINC000109812096 454838445 /nfs/dbraw/zinc/83/84/45/454838445.db2.gz FJKUVXQMXLFGPQ-UHFFFAOYSA-N 1 2 345.487 3.352 20 30 EGEDLO CC(C)Oc1cccc(CNC(=O)C[N@@H+](CCC#N)CC(C)(C)C)c1 ZINC000109812096 454838450 /nfs/dbraw/zinc/83/84/50/454838450.db2.gz FJKUVXQMXLFGPQ-UHFFFAOYSA-N 1 2 345.487 3.352 20 30 EGEDLO CCc1nnc([C@@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)o1 ZINC000111226378 454859175 /nfs/dbraw/zinc/85/91/75/454859175.db2.gz NLYROKOSJGCLKV-CYBMUJFWSA-N 1 2 326.400 3.108 20 30 EGEDLO C[N@H+](CCOc1ccc(C#N)cc1)Cc1nc(-c2ccccc2)c[nH]1 ZINC000154040236 454859825 /nfs/dbraw/zinc/85/98/25/454859825.db2.gz SPJKOIIOHWTURX-UHFFFAOYSA-N 1 2 332.407 3.459 20 30 EGEDLO C[N@@H+](CCOc1ccc(C#N)cc1)Cc1nc(-c2ccccc2)c[nH]1 ZINC000154040236 454859830 /nfs/dbraw/zinc/85/98/30/454859830.db2.gz SPJKOIIOHWTURX-UHFFFAOYSA-N 1 2 332.407 3.459 20 30 EGEDLO CC[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@H](C)O1 ZINC000111274145 454859926 /nfs/dbraw/zinc/85/99/26/454859926.db2.gz QWBVWRQWUGTTGV-FUHWJXTLSA-N 1 2 343.471 3.049 20 30 EGEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@H](C)O1 ZINC000111274145 454859930 /nfs/dbraw/zinc/85/99/30/454859930.db2.gz QWBVWRQWUGTTGV-FUHWJXTLSA-N 1 2 343.471 3.049 20 30 EGEDLO CC[C@H]1C[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@H](C)O1 ZINC000111275996 454860187 /nfs/dbraw/zinc/86/01/87/454860187.db2.gz YSZTYVPIUWNSBD-HKUYNNGSSA-N 1 2 343.471 3.049 20 30 EGEDLO CC[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@H](C)O1 ZINC000111275996 454860192 /nfs/dbraw/zinc/86/01/92/454860192.db2.gz YSZTYVPIUWNSBD-HKUYNNGSSA-N 1 2 343.471 3.049 20 30 EGEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177765440 454901621 /nfs/dbraw/zinc/90/16/21/454901621.db2.gz WOFFMWVHWYYROO-UHFFFAOYSA-N 1 2 347.422 3.326 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000154903836 454940868 /nfs/dbraw/zinc/94/08/68/454940868.db2.gz FQACINZPSCYMDD-KRWDZBQOSA-N 1 2 339.439 3.290 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000154903836 454940870 /nfs/dbraw/zinc/94/08/70/454940870.db2.gz FQACINZPSCYMDD-KRWDZBQOSA-N 1 2 339.439 3.290 20 30 EGEDLO C=CCNC(=O)[C@@H](C)[N@H+](CC)Cc1cc(Br)ccc1F ZINC000155154559 454969015 /nfs/dbraw/zinc/96/90/15/454969015.db2.gz BYFBLJBZZZOLFJ-LLVKDONJSA-N 1 2 343.240 3.101 20 30 EGEDLO C=CCNC(=O)[C@@H](C)[N@@H+](CC)Cc1cc(Br)ccc1F ZINC000155154559 454969021 /nfs/dbraw/zinc/96/90/21/454969021.db2.gz BYFBLJBZZZOLFJ-LLVKDONJSA-N 1 2 343.240 3.101 20 30 EGEDLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000127909666 455008249 /nfs/dbraw/zinc/00/82/49/455008249.db2.gz DUQMOOPFSCFCNK-GFCCVEGCSA-N 1 2 328.803 3.238 20 30 EGEDLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000127909666 455008251 /nfs/dbraw/zinc/00/82/51/455008251.db2.gz DUQMOOPFSCFCNK-GFCCVEGCSA-N 1 2 328.803 3.238 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000128100573 455025143 /nfs/dbraw/zinc/02/51/43/455025143.db2.gz QLYQCPQYYRMFBX-HNNXBMFYSA-N 1 2 342.468 3.120 20 30 EGEDLO CC1CCN(c2ccc(CNC(=O)c3sccc3C#N)c[nH+]2)CC1 ZINC000128165510 455030600 /nfs/dbraw/zinc/03/06/00/455030600.db2.gz WZUSVFIMKBWXDR-UHFFFAOYSA-N 1 2 340.452 3.181 20 30 EGEDLO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)CCN1CC(F)(F)F ZINC000128192831 455033484 /nfs/dbraw/zinc/03/34/84/455033484.db2.gz YXKLJFRNQALNKG-CYBMUJFWSA-N 1 2 330.781 3.260 20 30 EGEDLO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CCN1CC(F)(F)F ZINC000128192831 455033489 /nfs/dbraw/zinc/03/34/89/455033489.db2.gz YXKLJFRNQALNKG-CYBMUJFWSA-N 1 2 330.781 3.260 20 30 EGEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)NCCCNc1cccc[nH+]1 ZINC000171147804 455037030 /nfs/dbraw/zinc/03/70/30/455037030.db2.gz FVOQZVSZFZRWAF-UHFFFAOYSA-N 1 2 340.431 3.133 20 30 EGEDLO N#Cc1ccc(N2CCC[C@H](Sc3[nH+]cc4ccccn43)C2=O)cc1 ZINC000179913229 455098074 /nfs/dbraw/zinc/09/80/74/455098074.db2.gz QXLFTTIEAVWILB-KRWDZBQOSA-N 1 2 348.431 3.494 20 30 EGEDLO C=CCOc1ccccc1CNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000171888815 455101015 /nfs/dbraw/zinc/10/10/15/455101015.db2.gz CDVDWHKRYGSOJU-UHFFFAOYSA-N 1 2 335.407 3.226 20 30 EGEDLO Cc1ccc2[nH+]c(CSCC(=O)NC3(C#N)CCCCC3)cn2c1 ZINC000172136387 455127451 /nfs/dbraw/zinc/12/74/51/455127451.db2.gz WBJPUYISEQNQAJ-UHFFFAOYSA-N 1 2 342.468 3.219 20 30 EGEDLO C=C(C)C[N@@H+](CC)[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000152531270 455132745 /nfs/dbraw/zinc/13/27/45/455132745.db2.gz XTDJDTDWKHORKO-ZDUSSCGKSA-N 1 2 329.213 3.013 20 30 EGEDLO C=C(C)C[N@H+](CC)[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000152531270 455132748 /nfs/dbraw/zinc/13/27/48/455132748.db2.gz XTDJDTDWKHORKO-ZDUSSCGKSA-N 1 2 329.213 3.013 20 30 EGEDLO C[C@@H](c1cccc(NC(=O)c2cccc(CC#N)c2)c1)[NH+]1CCOCC1 ZINC000264264870 455196206 /nfs/dbraw/zinc/19/62/06/455196206.db2.gz QUKSZEKYYRVLJK-INIZCTEOSA-N 1 2 349.434 3.398 20 30 EGEDLO N#CCNC(=O)C[NH2+][C@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000181889064 455395228 /nfs/dbraw/zinc/39/52/28/455395228.db2.gz QVKPBAVYYDFYIB-QGZVFWFLSA-N 1 2 348.233 3.312 20 30 EGEDLO N#Cc1ccc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1Cl ZINC000160018798 455422317 /nfs/dbraw/zinc/42/23/17/455422317.db2.gz KVZIXPBGZZRQOM-UHFFFAOYSA-N 1 2 340.814 3.137 20 30 EGEDLO CCCCCCCCOCC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000266096403 455422982 /nfs/dbraw/zinc/42/29/82/455422982.db2.gz RSCSOHPQDXMCDS-UHFFFAOYSA-N 1 2 344.459 3.261 20 30 EGEDLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cs1 ZINC000184698919 455430548 /nfs/dbraw/zinc/43/05/48/455430548.db2.gz SPMBUEVSJNMMRZ-WDEREUQCSA-N 1 2 346.456 3.465 20 30 EGEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000191119770 455446453 /nfs/dbraw/zinc/44/64/53/455446453.db2.gz IPYUOQMFTFYVQB-NSHDSACASA-N 1 2 331.243 3.455 20 30 EGEDLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)o1 ZINC000184853643 455461176 /nfs/dbraw/zinc/46/11/76/455461176.db2.gz YVLPQDKYGMICDZ-DYVFJYSZSA-N 1 2 341.411 3.018 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCO[C@@H](C)C1 ZINC000246826621 455528282 /nfs/dbraw/zinc/52/82/82/455528282.db2.gz AFSNAKAPXHHREJ-LSDHHAIUSA-N 1 2 347.484 3.130 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCO[C@@H](C)C1 ZINC000246826621 455528284 /nfs/dbraw/zinc/52/82/84/455528284.db2.gz AFSNAKAPXHHREJ-LSDHHAIUSA-N 1 2 347.484 3.130 20 30 EGEDLO C#CCCCC(=O)N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000192054938 455549178 /nfs/dbraw/zinc/54/91/78/455549178.db2.gz IDGIIRSVATYHGB-UHFFFAOYSA-N 1 2 338.373 3.153 20 30 EGEDLO C=CCc1cc(C[N@H+]2CCCC[C@@H]2C(=O)OCC)cc(OC)c1O ZINC000161255406 455553383 /nfs/dbraw/zinc/55/33/83/455553383.db2.gz PNNFAMZKMFLZSC-MRXNPFEDSA-N 1 2 333.428 3.047 20 30 EGEDLO C=CCc1cc(C[N@@H+]2CCCC[C@@H]2C(=O)OCC)cc(OC)c1O ZINC000161255406 455553384 /nfs/dbraw/zinc/55/33/84/455553384.db2.gz PNNFAMZKMFLZSC-MRXNPFEDSA-N 1 2 333.428 3.047 20 30 EGEDLO NC(=[NH+]OCc1nc(-c2ccccc2Cl)cs1)[C@@H]1CCCO1 ZINC000283891288 455609612 /nfs/dbraw/zinc/60/96/12/455609612.db2.gz CZJBHFGCFJVXFO-ZDUSSCGKSA-N 1 2 337.832 3.431 20 30 EGEDLO Cc1ccoc1C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000292455492 455668350 /nfs/dbraw/zinc/66/83/50/455668350.db2.gz YIXFNRKAYPLCGJ-INIZCTEOSA-N 1 2 325.412 3.355 20 30 EGEDLO Cc1ccoc1C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000292455492 455668356 /nfs/dbraw/zinc/66/83/56/455668356.db2.gz YIXFNRKAYPLCGJ-INIZCTEOSA-N 1 2 325.412 3.355 20 30 EGEDLO NC(=[NH+]OCCC1OCCCO1)c1cccc(Oc2ccccc2)c1 ZINC000268487405 455695822 /nfs/dbraw/zinc/69/58/22/455695822.db2.gz MWCWQDVDNKOFAK-UHFFFAOYSA-N 1 2 342.395 3.269 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000186158806 455706768 /nfs/dbraw/zinc/70/67/68/455706768.db2.gz IHRVDBNPXKMYGY-HNNXBMFYSA-N 1 2 342.464 3.463 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000186158806 455706770 /nfs/dbraw/zinc/70/67/70/455706770.db2.gz IHRVDBNPXKMYGY-HNNXBMFYSA-N 1 2 342.464 3.463 20 30 EGEDLO C=CCOc1ccc(C[NH+]2CC([C@H](F)C(=O)OCC)C2)cc1Cl ZINC000293519536 455789440 /nfs/dbraw/zinc/78/94/40/455789440.db2.gz AUFCDCNLRYKMQQ-INIZCTEOSA-N 1 2 341.810 3.238 20 30 EGEDLO N#C[C@@]1(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC12CCCC2 ZINC000294354030 455812898 /nfs/dbraw/zinc/81/28/98/455812898.db2.gz BGADXPOETGFHEM-LJQANCHMSA-N 1 2 338.386 3.102 20 30 EGEDLO CC(C)(C)c1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000269293320 455829564 /nfs/dbraw/zinc/82/95/64/455829564.db2.gz QLTOQTMGABTDFR-UHFFFAOYSA-N 1 2 341.484 3.029 20 30 EGEDLO C=CCSCCNC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000194565787 455859317 /nfs/dbraw/zinc/85/93/17/455859317.db2.gz DOYKPOUTFMQGMX-UHFFFAOYSA-N 1 2 348.516 3.036 20 30 EGEDLO C=C(C)[C@H](CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)OCC ZINC000270041512 455863503 /nfs/dbraw/zinc/86/35/03/455863503.db2.gz JXOANBRRAHOXCM-HNNXBMFYSA-N 1 2 337.489 3.439 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc3c(c2)COC(C)(C)O3)n1 ZINC000279392256 455864948 /nfs/dbraw/zinc/86/49/48/455864948.db2.gz LLZJNZVBUOSEKW-UHFFFAOYSA-N 1 2 339.439 3.184 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc3c(c2)COC(C)(C)O3)n1 ZINC000279392256 455864950 /nfs/dbraw/zinc/86/49/50/455864950.db2.gz LLZJNZVBUOSEKW-UHFFFAOYSA-N 1 2 339.439 3.184 20 30 EGEDLO CCN(CCC#N)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270204968 455902633 /nfs/dbraw/zinc/90/26/33/455902633.db2.gz FMCBLZTUOMBXQO-UHFFFAOYSA-N 1 2 335.411 3.369 20 30 EGEDLO C#CCCCCNC(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270252270 455912926 /nfs/dbraw/zinc/91/29/26/455912926.db2.gz QMBZBORGLWOEKO-QGZVFWFLSA-N 1 2 338.455 3.322 20 30 EGEDLO C[C@H](NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C)c1ccc(C#N)cc1 ZINC000296366213 455920028 /nfs/dbraw/zinc/92/00/28/455920028.db2.gz OVJWULDLOXHOCI-XJKSGUPXSA-N 1 2 337.427 3.145 20 30 EGEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccc(C(C)(C)C#N)cc3)n2)C1 ZINC000280241148 455925844 /nfs/dbraw/zinc/92/58/44/455925844.db2.gz IBHZLQLILKJFMV-INIZCTEOSA-N 1 2 340.427 3.319 20 30 EGEDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccc(C(C)(C)C#N)cc3)n2)C1 ZINC000280241148 455925846 /nfs/dbraw/zinc/92/58/46/455925846.db2.gz IBHZLQLILKJFMV-INIZCTEOSA-N 1 2 340.427 3.319 20 30 EGEDLO C=CCN(CCc1ccco1)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000272431270 455948409 /nfs/dbraw/zinc/94/84/09/455948409.db2.gz JHARIWNYZKBQBY-UHFFFAOYSA-N 1 2 338.411 3.176 20 30 EGEDLO C#CCOc1ccccc1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000188081812 455993149 /nfs/dbraw/zinc/99/31/49/455993149.db2.gz OOSCRUAJNZIKQH-UHFFFAOYSA-N 1 2 338.411 3.107 20 30 EGEDLO C#CC[C@@H](NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C)c1ccccc1 ZINC000296626237 455993828 /nfs/dbraw/zinc/99/38/28/455993828.db2.gz YNIRVLCTKVWEOB-SJORKVTESA-N 1 2 336.439 3.277 20 30 EGEDLO CC(C)(C)c1ccc(S(=O)(=O)CC[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000272577598 456000241 /nfs/dbraw/zinc/00/02/41/456000241.db2.gz NXJAZUYHHNMMPA-UHFFFAOYSA-N 1 2 348.512 3.383 20 30 EGEDLO C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[NH+]1CCC(C)(C#N)CC1 ZINC000272588326 456004291 /nfs/dbraw/zinc/00/42/91/456004291.db2.gz PBQWTZPXNCFXMT-NSHDSACASA-N 1 2 346.431 3.388 20 30 EGEDLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000272594004 456006847 /nfs/dbraw/zinc/00/68/47/456006847.db2.gz PXBZSEJPEXWHRS-GFCCVEGCSA-N 1 2 335.835 3.301 20 30 EGEDLO COC[C@@H](C)n1c(C)cc(C(=O)C[NH+]2CCC(C)(C#N)CC2)c1C ZINC000272610656 456014278 /nfs/dbraw/zinc/01/42/78/456014278.db2.gz SGZNOMFHOYLDIV-OAHLLOKOSA-N 1 2 331.460 3.121 20 30 EGEDLO C=C[C@@H](Cc1nc([C@H]2C[N@H+](C(C)C)CCO2)no1)c1ccccc1 ZINC000272627597 456018773 /nfs/dbraw/zinc/01/87/73/456018773.db2.gz JYJMCAKYOMYNEY-DOTOQJQBSA-N 1 2 327.428 3.364 20 30 EGEDLO C=C[C@@H](Cc1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1)c1ccccc1 ZINC000272627597 456018778 /nfs/dbraw/zinc/01/87/78/456018778.db2.gz JYJMCAKYOMYNEY-DOTOQJQBSA-N 1 2 327.428 3.364 20 30 EGEDLO C=CCCO[C@@H](C)c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000272672412 456034620 /nfs/dbraw/zinc/03/46/20/456034620.db2.gz QODNFPWFIJOZOF-DOTOQJQBSA-N 1 2 343.427 3.297 20 30 EGEDLO C=CCCO[C@@H](C)c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000272672412 456034624 /nfs/dbraw/zinc/03/46/24/456034624.db2.gz QODNFPWFIJOZOF-DOTOQJQBSA-N 1 2 343.427 3.297 20 30 EGEDLO C=C(Cl)CNC(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280974694 456098781 /nfs/dbraw/zinc/09/87/81/456098781.db2.gz UARYFTYGVZOWRH-UHFFFAOYSA-N 1 2 332.835 3.444 20 30 EGEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000188962664 456184333 /nfs/dbraw/zinc/18/43/33/456184333.db2.gz AFXSIUJWTJBGGG-ZDUSSCGKSA-N 1 2 337.210 3.041 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000263700261 456196647 /nfs/dbraw/zinc/19/66/47/456196647.db2.gz NHNDSEDGLRCUIH-UHFFFAOYSA-N 1 2 335.407 3.265 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000263700261 456196654 /nfs/dbraw/zinc/19/66/54/456196654.db2.gz NHNDSEDGLRCUIH-UHFFFAOYSA-N 1 2 335.407 3.265 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ncc(-c3ccc(Cl)cc3)o2)C1=O ZINC000281312973 456198301 /nfs/dbraw/zinc/19/83/01/456198301.db2.gz KRPAMAPBPWTHHH-HNNXBMFYSA-N 1 2 345.830 3.214 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ncc(-c3ccc(Cl)cc3)o2)C1=O ZINC000281312973 456198305 /nfs/dbraw/zinc/19/83/05/456198305.db2.gz KRPAMAPBPWTHHH-HNNXBMFYSA-N 1 2 345.830 3.214 20 30 EGEDLO CC1(C#N)CN(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)C1 ZINC000333441192 456218531 /nfs/dbraw/zinc/21/85/31/456218531.db2.gz WMWUSALFRNDIAJ-UHFFFAOYSA-N 1 2 335.411 3.264 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](COC)c1ccco1 ZINC000273333768 456224362 /nfs/dbraw/zinc/22/43/62/456224362.db2.gz CODREJZFGISIOD-ZBFHGGJFSA-N 1 2 348.468 3.222 20 30 EGEDLO Cn1c(C[NH+]2CCC(C#N)CC2)nc2ccc(Br)cc21 ZINC000275163490 456270796 /nfs/dbraw/zinc/27/07/96/456270796.db2.gz UKIVNQOXRNZULC-UHFFFAOYSA-N 1 2 333.233 3.071 20 30 EGEDLO COc1cc(C[NH2+]Cc2cc(COC(C)(C)C)on2)ccc1C#N ZINC000281704974 456298431 /nfs/dbraw/zinc/29/84/31/456298431.db2.gz NZRAIHDYMHTGRJ-UHFFFAOYSA-N 1 2 329.400 3.160 20 30 EGEDLO CN(C(=O)Cc1c(F)cccc1C#N)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352780760 456299907 /nfs/dbraw/zinc/29/99/07/456299907.db2.gz VPLRADCNPQUIHW-LJQANCHMSA-N 1 2 348.381 3.211 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000352798750 456319023 /nfs/dbraw/zinc/31/90/23/456319023.db2.gz XKBADKIAUIVGAZ-HNNXBMFYSA-N 1 2 328.412 3.177 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000352798750 456319028 /nfs/dbraw/zinc/31/90/28/456319028.db2.gz XKBADKIAUIVGAZ-HNNXBMFYSA-N 1 2 328.412 3.177 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)N(C)[C@H](C)CC(C)C)Cc1ccc(CO)o1 ZINC000352803714 456323957 /nfs/dbraw/zinc/32/39/57/456323957.db2.gz ZDGZOSAUBQQRQP-MRXNPFEDSA-N 1 2 336.476 3.043 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)N(C)[C@H](C)CC(C)C)Cc1ccc(CO)o1 ZINC000352803714 456323962 /nfs/dbraw/zinc/32/39/62/456323962.db2.gz ZDGZOSAUBQQRQP-MRXNPFEDSA-N 1 2 336.476 3.043 20 30 EGEDLO Cc1nsc(N2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)c1C#N ZINC000342937665 456325685 /nfs/dbraw/zinc/32/56/85/456325685.db2.gz HKRAACNEMBHWHC-UHFFFAOYSA-N 1 2 339.399 3.211 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+]2CCSC[C@H]2c2ccc(Cl)cc2)C1=O ZINC000337189812 456336857 /nfs/dbraw/zinc/33/68/57/456336857.db2.gz RJOOQBAKCJQJLW-CVEARBPZSA-N 1 2 336.888 3.217 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+]2CCSC[C@H]2c2ccc(Cl)cc2)C1=O ZINC000337189812 456336862 /nfs/dbraw/zinc/33/68/62/456336862.db2.gz RJOOQBAKCJQJLW-CVEARBPZSA-N 1 2 336.888 3.217 20 30 EGEDLO C=CCN1CC[C@H]([NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)C1=O ZINC000281876062 456346164 /nfs/dbraw/zinc/34/61/64/456346164.db2.gz COVYQVLVLHJGIN-ROUUACIJSA-N 1 2 341.842 3.201 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000352874965 456381984 /nfs/dbraw/zinc/38/19/84/456381984.db2.gz IXEGEUUFRMAOET-AQFXKWCLSA-N 1 2 348.487 3.233 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000352874965 456381992 /nfs/dbraw/zinc/38/19/92/456381992.db2.gz IXEGEUUFRMAOET-AQFXKWCLSA-N 1 2 348.487 3.233 20 30 EGEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000298172444 456382083 /nfs/dbraw/zinc/38/20/83/456382083.db2.gz QRXIMZQJKIGIAF-OAHLLOKOSA-N 1 2 342.418 3.066 20 30 EGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000298172444 456382089 /nfs/dbraw/zinc/38/20/89/456382089.db2.gz QRXIMZQJKIGIAF-OAHLLOKOSA-N 1 2 342.418 3.066 20 30 EGEDLO CC[C@@]([NH2+]CCCC1(C#N)CCOCC1)(C(=O)OC)c1ccccc1 ZINC000281994462 456385112 /nfs/dbraw/zinc/38/51/12/456385112.db2.gz NAQQJKYLJDUKLP-FQEVSTJZSA-N 1 2 344.455 3.155 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C(N)=O)c1ccccc1 ZINC000352899218 456400271 /nfs/dbraw/zinc/40/02/71/456400271.db2.gz CAEGMBDVABDZCN-GOSISDBHSA-N 1 2 326.444 3.069 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C(N)=O)c1ccccc1 ZINC000352899218 456400276 /nfs/dbraw/zinc/40/02/76/456400276.db2.gz CAEGMBDVABDZCN-GOSISDBHSA-N 1 2 326.444 3.069 20 30 EGEDLO C=CCCc1ccccc1NC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000337586676 456402962 /nfs/dbraw/zinc/40/29/62/456402962.db2.gz FRBTUGCUNWBNIM-KRWDZBQOSA-N 1 2 331.460 3.038 20 30 EGEDLO C=CCCc1ccccc1NC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000337586676 456402965 /nfs/dbraw/zinc/40/29/65/456402965.db2.gz FRBTUGCUNWBNIM-KRWDZBQOSA-N 1 2 331.460 3.038 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)C1=O ZINC000282090883 456411211 /nfs/dbraw/zinc/41/12/11/456411211.db2.gz VHBYJMMLMBVWQZ-CABCVRRESA-N 1 2 327.453 3.220 20 30 EGEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2c2nc3ccccc3s2)C1=O ZINC000282090883 456411214 /nfs/dbraw/zinc/41/12/14/456411214.db2.gz VHBYJMMLMBVWQZ-CABCVRRESA-N 1 2 327.453 3.220 20 30 EGEDLO C=CCCN(C)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000276378136 456461851 /nfs/dbraw/zinc/46/18/51/456461851.db2.gz YNUHRJIUMIQJSV-HOTGVXAUSA-N 1 2 331.460 3.336 20 30 EGEDLO C=CCC[C@@H](Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1)c1ccco1 ZINC000291193881 456560128 /nfs/dbraw/zinc/56/01/28/456560128.db2.gz MGNNGGRYCPPMRJ-GOSISDBHSA-N 1 2 339.439 3.331 20 30 EGEDLO C=CCC[C@@H](Nc1cccc(C[N@H+]2CCNC(=O)C2)c1)c1ccco1 ZINC000291193881 456560137 /nfs/dbraw/zinc/56/01/37/456560137.db2.gz MGNNGGRYCPPMRJ-GOSISDBHSA-N 1 2 339.439 3.331 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000348239018 456561731 /nfs/dbraw/zinc/56/17/31/456561731.db2.gz PAFZTPPZNSQUFS-RLFYNMQTSA-N 1 2 348.512 3.151 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000348239018 456561737 /nfs/dbraw/zinc/56/17/37/456561737.db2.gz PAFZTPPZNSQUFS-RLFYNMQTSA-N 1 2 348.512 3.151 20 30 EGEDLO C[C@@H](c1cnccn1)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348304654 456608635 /nfs/dbraw/zinc/60/86/35/456608635.db2.gz HYINJMOJWVAERG-KSSFIOAISA-N 1 2 341.846 3.073 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000337936619 456610483 /nfs/dbraw/zinc/61/04/83/456610483.db2.gz MKKPYJDIAXQNHE-HNNXBMFYSA-N 1 2 336.439 3.106 20 30 EGEDLO Cc1ncc(CO)c(/C=[NH+]/C[C@H]2CCCO[C@H]2c2ccccc2)c1O ZINC000299204489 456631701 /nfs/dbraw/zinc/63/17/01/456631701.db2.gz CCOHIQOSOZVTPU-WXGGMYKSSA-N 1 2 340.423 3.175 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000299320537 456657121 /nfs/dbraw/zinc/65/71/21/456657121.db2.gz WXPDAZWPEYFGMY-BBWFWOEESA-N 1 2 346.471 3.216 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000299320537 456657127 /nfs/dbraw/zinc/65/71/27/456657127.db2.gz WXPDAZWPEYFGMY-BBWFWOEESA-N 1 2 346.471 3.216 20 30 EGEDLO Cn1c2ccc(CNC(=O)Cc3ccc(C#N)cc3)cc2[nH+]c1C1CC1 ZINC000283003269 456687949 /nfs/dbraw/zinc/68/79/49/456687949.db2.gz VSAYYYDUXGKYNB-UHFFFAOYSA-N 1 2 344.418 3.181 20 30 EGEDLO CCS[C@@H]1CCCCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000328605352 456717500 /nfs/dbraw/zinc/71/75/00/456717500.db2.gz JNDJUJYIGVMSST-LSDHHAIUSA-N 1 2 336.505 3.282 20 30 EGEDLO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@@H+]1CCOC[C@H](C)C1 ZINC000328701622 456739946 /nfs/dbraw/zinc/73/99/46/456739946.db2.gz WVCSBYBUSMQMQG-GHMZBOCLSA-N 1 2 337.420 3.380 20 30 EGEDLO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+]1CCOC[C@H](C)C1 ZINC000328701622 456739950 /nfs/dbraw/zinc/73/99/50/456739950.db2.gz WVCSBYBUSMQMQG-GHMZBOCLSA-N 1 2 337.420 3.380 20 30 EGEDLO C=C(C)Cn1c([C@H](C)CC)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000283241958 456743503 /nfs/dbraw/zinc/74/35/03/456743503.db2.gz KSTSJGADPCLXOG-MRXNPFEDSA-N 1 2 340.475 3.089 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ncc(C(C)(C)C)s2)C1 ZINC000328777012 456758856 /nfs/dbraw/zinc/75/88/56/456758856.db2.gz CXIBVFMMEVAUQK-LLVKDONJSA-N 1 2 333.461 3.209 20 30 EGEDLO C[C@@H]1CC(=O)N[C@H](C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000328780519 456759787 /nfs/dbraw/zinc/75/97/87/456759787.db2.gz FKHKBTPJUYOTMV-AVGNSLFASA-N 1 2 332.448 3.207 20 30 EGEDLO N#CCCN(Cc1ccco1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000343872060 456779030 /nfs/dbraw/zinc/77/90/30/456779030.db2.gz KHJOOXSTQCXGEQ-UHFFFAOYSA-N 1 2 334.379 3.080 20 30 EGEDLO Cc1noc(C(C)(C)[NH2+]CC(=O)N[C@@H]2CCCc3ccccc32)n1 ZINC000328911515 456788778 /nfs/dbraw/zinc/78/87/78/456788778.db2.gz OGIOBWPWTWUMMI-OAHLLOKOSA-N 1 2 328.416 3.237 20 30 EGEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1CCC(=O)[C@@H](C)C1 ZINC000328978267 456805919 /nfs/dbraw/zinc/80/59/19/456805919.db2.gz WZCIFCMLYOOTSG-RDJZCZTQSA-N 1 2 344.455 3.421 20 30 EGEDLO CC(C)(C#N)CCC[N@@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000344244950 456809123 /nfs/dbraw/zinc/80/91/23/456809123.db2.gz IFHPTMBDWWASNV-UHFFFAOYSA-N 1 2 333.863 3.314 20 30 EGEDLO CC(C)(C#N)CCC[N@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000344244950 456809135 /nfs/dbraw/zinc/80/91/35/456809135.db2.gz IFHPTMBDWWASNV-UHFFFAOYSA-N 1 2 333.863 3.314 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CCCCC1(C)C)C1CCOCC1 ZINC000328999521 456809696 /nfs/dbraw/zinc/80/96/96/456809696.db2.gz HGMQYUBQPISNKS-JKSUJKDBSA-N 1 2 348.491 3.360 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291998758 456825049 /nfs/dbraw/zinc/82/50/49/456825049.db2.gz XEMWGOBCHZWKKJ-OAHLLOKOSA-N 1 2 342.468 3.047 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291998758 456825055 /nfs/dbraw/zinc/82/50/55/456825055.db2.gz XEMWGOBCHZWKKJ-OAHLLOKOSA-N 1 2 342.468 3.047 20 30 EGEDLO COc1cc2nc(N[C@@H](C)c3ccc(C#N)cc3)[nH+]c(N)c2cc1OC ZINC000301227817 456825910 /nfs/dbraw/zinc/82/59/10/456825910.db2.gz FVNPPICFRQLYNR-NSHDSACASA-N 1 2 349.394 3.274 20 30 EGEDLO COc1c(Br)cccc1C[NH+]1CCC(F)(C#N)CC1 ZINC000348713601 456826567 /nfs/dbraw/zinc/82/65/67/456826567.db2.gz WWUGFMNPFCGPMT-UHFFFAOYSA-N 1 2 327.197 3.285 20 30 EGEDLO CCn1cc[nH+]c1[C@@H](NC(=O)[C@H]1C[C@@H]1C(F)F)C1CCOCC1 ZINC000329098525 456833109 /nfs/dbraw/zinc/83/31/09/456833109.db2.gz YVJACEBJEHKRCA-AVGNSLFASA-N 1 2 327.375 3.228 20 30 EGEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000292099973 456854933 /nfs/dbraw/zinc/85/49/33/456854933.db2.gz GHMWSZKWQXZOLP-CYBMUJFWSA-N 1 2 329.227 3.135 20 30 EGEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000292099973 456854941 /nfs/dbraw/zinc/85/49/41/456854941.db2.gz GHMWSZKWQXZOLP-CYBMUJFWSA-N 1 2 329.227 3.135 20 30 EGEDLO C=C(C)Cn1c(CCCC)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000338811356 456861494 /nfs/dbraw/zinc/86/14/94/456861494.db2.gz PMMUPZUKDVELKV-UHFFFAOYSA-N 1 2 343.475 3.112 20 30 EGEDLO O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)N1CCn2cc[nH+]c2C1 ZINC000329274451 456865164 /nfs/dbraw/zinc/86/51/64/456865164.db2.gz KKDAFKSXKWBRID-CQSZACIVSA-N 1 2 346.818 3.180 20 30 EGEDLO CC(C)C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000329432876 456889408 /nfs/dbraw/zinc/88/94/08/456889408.db2.gz IUQUIXADXQQDTH-BZUAXINKSA-N 1 2 334.464 3.097 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N[C@@H]3CCCC[C@H]3C)C2)[nH]1 ZINC000329452541 456893404 /nfs/dbraw/zinc/89/34/04/456893404.db2.gz NIZOXERUUBQOFF-RRCSTGOVSA-N 1 2 333.480 3.216 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)C(=O)N[C@@H]3CCCC[C@H]3C)C2)[nH]1 ZINC000329452541 456893406 /nfs/dbraw/zinc/89/34/06/456893406.db2.gz NIZOXERUUBQOFF-RRCSTGOVSA-N 1 2 333.480 3.216 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N[C@@H]3CCCC[C@H]3C)C2)n1 ZINC000329452541 456893408 /nfs/dbraw/zinc/89/34/08/456893408.db2.gz NIZOXERUUBQOFF-RRCSTGOVSA-N 1 2 333.480 3.216 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@H](C)C(=O)N[C@@H]3CCCC[C@H]3C)C2)n1 ZINC000329452541 456893412 /nfs/dbraw/zinc/89/34/12/456893412.db2.gz NIZOXERUUBQOFF-RRCSTGOVSA-N 1 2 333.480 3.216 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@H+]([C@H](C)C(=O)N[C@@H]3CCCC[C@H]3C)C2)n[nH]1 ZINC000329452541 456893417 /nfs/dbraw/zinc/89/34/17/456893417.db2.gz NIZOXERUUBQOFF-RRCSTGOVSA-N 1 2 333.480 3.216 20 30 EGEDLO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000329477093 456896737 /nfs/dbraw/zinc/89/67/37/456896737.db2.gz BTVWYZQLBGNYLG-DZGCQCFKSA-N 1 2 332.448 3.389 20 30 EGEDLO COC1(CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CCC(C)CC1 ZINC000329500145 456900774 /nfs/dbraw/zinc/90/07/74/456900774.db2.gz KDPYWRANLSVIKH-RMXPPQQLSA-N 1 2 338.492 3.039 20 30 EGEDLO COC1(CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CCC(C)CC1 ZINC000329500145 456900780 /nfs/dbraw/zinc/90/07/80/456900780.db2.gz KDPYWRANLSVIKH-RMXPPQQLSA-N 1 2 338.492 3.039 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@H](C)[C@H]1C)C1CCOCC1 ZINC000329513713 456902976 /nfs/dbraw/zinc/90/29/76/456902976.db2.gz YBWOFINTVVYFAP-ZMSDIMECSA-N 1 2 348.491 3.405 20 30 EGEDLO Cc1cc(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)cc2n[nH]cc21 ZINC000329527036 456905082 /nfs/dbraw/zinc/90/50/82/456905082.db2.gz HRIMVUWHWFCITL-QGZVFWFLSA-N 1 2 328.416 3.103 20 30 EGEDLO Cc1cc(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)cc2n[nH]cc21 ZINC000329527036 456905087 /nfs/dbraw/zinc/90/50/87/456905087.db2.gz HRIMVUWHWFCITL-QGZVFWFLSA-N 1 2 328.416 3.103 20 30 EGEDLO Cc1ccccc1[C@@H]1C[C@H](C)N(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329742534 456934407 /nfs/dbraw/zinc/93/44/07/456934407.db2.gz WPXFXMHJULMDFJ-XHSDSOJGSA-N 1 2 338.455 3.367 20 30 EGEDLO CC(C)c1cccc2c1CCN(C([O-])=[NH+][C@H]1CCn3cc[nH+]c3C1)C2 ZINC000329917078 456960168 /nfs/dbraw/zinc/96/01/68/456960168.db2.gz FBFHSBADJJSKCJ-INIZCTEOSA-N 1 2 338.455 3.294 20 30 EGEDLO CC(C)c1cccc2c1CCN(C(=O)N[C@H]1CCn3cc[nH+]c3C1)C2 ZINC000329917078 456960171 /nfs/dbraw/zinc/96/01/71/456960171.db2.gz FBFHSBADJJSKCJ-INIZCTEOSA-N 1 2 338.455 3.294 20 30 EGEDLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000329918964 456960536 /nfs/dbraw/zinc/96/05/36/456960536.db2.gz CZEKSGCADRLVGA-OGNFBWPZSA-N 1 2 346.471 3.281 20 30 EGEDLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000329918964 456960539 /nfs/dbraw/zinc/96/05/39/456960539.db2.gz CZEKSGCADRLVGA-OGNFBWPZSA-N 1 2 346.471 3.281 20 30 EGEDLO [O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000329965596 456968173 /nfs/dbraw/zinc/96/81/73/456968173.db2.gz UKFLXBLRVGOPHN-LPHOPBHVSA-N 1 2 328.460 3.182 20 30 EGEDLO N#C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1F ZINC000349449782 456970930 /nfs/dbraw/zinc/97/09/30/456970930.db2.gz XUTQRWFXRSXTHY-SFHVURJKSA-N 1 2 334.354 3.065 20 30 EGEDLO [O-]C(N[C@H]1CCc2c1cccc2Cl)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330176749 456995568 /nfs/dbraw/zinc/99/55/68/456995568.db2.gz KEMAUWDHSGDJKV-ABAIWWIYSA-N 1 2 330.819 3.042 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])NCC1CC(F)(F)C1)C2 ZINC000330186718 456998380 /nfs/dbraw/zinc/99/83/80/456998380.db2.gz JZBKOKYQHYMQDZ-LBPRGKRZSA-N 1 2 340.418 3.044 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+]CC1CC(F)(F)C1)C2 ZINC000330186718 456998385 /nfs/dbraw/zinc/99/83/85/456998385.db2.gz JZBKOKYQHYMQDZ-LBPRGKRZSA-N 1 2 340.418 3.044 20 30 EGEDLO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330187980 456998496 /nfs/dbraw/zinc/99/84/96/456998496.db2.gz KUQGWMZEAJMXKC-FHSNZYRGSA-N 1 2 342.418 3.164 20 30 EGEDLO Cc1cn2cc(NC(=O)N3CCCC4(CCOCC4)C3)ccc2[nH+]1 ZINC000330196148 456999301 /nfs/dbraw/zinc/99/93/01/456999301.db2.gz PTVFBTOUEBWHMT-UHFFFAOYSA-N 1 2 328.416 3.081 20 30 EGEDLO CN(CCCn1cc[nH+]c1)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000346237585 457026068 /nfs/dbraw/zinc/02/60/68/457026068.db2.gz ZIDIKGPIOCUCAF-UHFFFAOYSA-N 1 2 349.438 3.304 20 30 EGEDLO Cc1c(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cnn1C1CCCCC1 ZINC000330333946 457029204 /nfs/dbraw/zinc/02/92/04/457029204.db2.gz YMAQVPVIMCFKFG-CQSZACIVSA-N 1 2 327.432 3.213 20 30 EGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)C[C@@H](CC#N)c1ccccc1)CCC2 ZINC000356512596 457030040 /nfs/dbraw/zinc/03/00/40/457030040.db2.gz IUEZJXJRSFZNJY-QZTJIDSGSA-N 1 2 336.439 3.273 20 30 EGEDLO COCC1(C#N)CC[NH+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000341969882 457030910 /nfs/dbraw/zinc/03/09/10/457030910.db2.gz CFVFOWLBZCZIDW-KRWDZBQOSA-N 1 2 343.471 3.191 20 30 EGEDLO CCOc1ccc(C(C)=O)cc1C[NH+]1CCC(C#N)(COC)CC1 ZINC000341993722 457048631 /nfs/dbraw/zinc/04/86/31/457048631.db2.gz PAAARHBOTAIPCG-UHFFFAOYSA-N 1 2 330.428 3.040 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2c(F)cccc2Br)CC1 ZINC000341997357 457051734 /nfs/dbraw/zinc/05/17/34/457051734.db2.gz SKHWLWCOOKZCMR-UHFFFAOYSA-N 1 2 341.224 3.340 20 30 EGEDLO CC[C@]1(C)COCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000330518915 457052104 /nfs/dbraw/zinc/05/21/04/457052104.db2.gz NIAWEMMDBGWCSD-HXUWFJFHSA-N 1 2 343.471 3.051 20 30 EGEDLO CC[C@]1(C)COCC[N@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000330518915 457052106 /nfs/dbraw/zinc/05/21/06/457052106.db2.gz NIAWEMMDBGWCSD-HXUWFJFHSA-N 1 2 343.471 3.051 20 30 EGEDLO COCC1(C#N)CC[NH+]([C@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000342027280 457066285 /nfs/dbraw/zinc/06/62/85/457066285.db2.gz XZXSVPNTTVLDCU-GFCCVEGCSA-N 1 2 332.429 3.111 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000339379486 457079190 /nfs/dbraw/zinc/07/91/90/457079190.db2.gz QVQVPWNBOKBNIP-CYBMUJFWSA-N 1 2 329.400 3.187 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000339379486 457079196 /nfs/dbraw/zinc/07/91/96/457079196.db2.gz QVQVPWNBOKBNIP-CYBMUJFWSA-N 1 2 329.400 3.187 20 30 EGEDLO COc1ccc(C[N@@H+]2CC(C)(C)O[C@](C)(C(F)(F)F)C2)cc1C#N ZINC000339446025 457122674 /nfs/dbraw/zinc/12/26/74/457122674.db2.gz GIFVXNCRYWWHFU-INIZCTEOSA-N 1 2 342.361 3.499 20 30 EGEDLO COc1ccc(C[N@H+]2CC(C)(C)O[C@](C)(C(F)(F)F)C2)cc1C#N ZINC000339446025 457122680 /nfs/dbraw/zinc/12/26/80/457122680.db2.gz GIFVXNCRYWWHFU-INIZCTEOSA-N 1 2 342.361 3.499 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CCCC[C@H]2C(=O)OCC)cc1OC ZINC000350101576 457164838 /nfs/dbraw/zinc/16/48/38/457164838.db2.gz XSMSHASNYGJYNR-INIZCTEOSA-N 1 2 333.428 3.178 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)OCC)cc1OC ZINC000350101576 457164841 /nfs/dbraw/zinc/16/48/41/457164841.db2.gz XSMSHASNYGJYNR-INIZCTEOSA-N 1 2 333.428 3.178 20 30 EGEDLO CCCC(=O)NC[C@@H]1CCCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000331341574 457169213 /nfs/dbraw/zinc/16/92/13/457169213.db2.gz SQCBLBXXKCWJEH-INIZCTEOSA-N 1 2 346.475 3.181 20 30 EGEDLO C=CC[N@@H+](Cc1ccc2c(c1)oc(=O)n2C)Cc1ccccc1F ZINC000350659404 457195895 /nfs/dbraw/zinc/19/58/95/457195895.db2.gz MJVSCPHPIXNYIE-UHFFFAOYSA-N 1 2 326.371 3.459 20 30 EGEDLO C=CC[N@H+](Cc1ccc2c(c1)oc(=O)n2C)Cc1ccccc1F ZINC000350659404 457195901 /nfs/dbraw/zinc/19/59/01/457195901.db2.gz MJVSCPHPIXNYIE-UHFFFAOYSA-N 1 2 326.371 3.459 20 30 EGEDLO Cc1nsc(N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)c1C#N ZINC000342555078 457364089 /nfs/dbraw/zinc/36/40/89/457364089.db2.gz ZLYBNGAYLNDIFG-CYBMUJFWSA-N 1 2 330.432 3.346 20 30 EGEDLO Cc1sc2nc([C@@H](C)[NH+]3CCC(F)(C#N)CC3)nc(N)c2c1C ZINC000352441854 457369988 /nfs/dbraw/zinc/36/99/88/457369988.db2.gz FIQRAYBOSSBSBI-SNVBAGLBSA-N 1 2 333.436 3.279 20 30 EGEDLO C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+]1CCC(F)(C#N)CC1 ZINC000352458724 457384486 /nfs/dbraw/zinc/38/44/86/457384486.db2.gz OEDXUQPFPMCUHQ-GJZGRUSLSA-N 1 2 329.419 3.070 20 30 EGEDLO C=CC[N@H+](Cc1ncc(C)s1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000357335493 457454316 /nfs/dbraw/zinc/45/43/16/457454316.db2.gz OZWOAZMVXBJSQZ-CQSZACIVSA-N 1 2 340.456 3.176 20 30 EGEDLO C=CC[N@@H+](Cc1ncc(C)s1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000357335493 457454322 /nfs/dbraw/zinc/45/43/22/457454322.db2.gz OZWOAZMVXBJSQZ-CQSZACIVSA-N 1 2 340.456 3.176 20 30 EGEDLO C[C@H]1CC(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)C1 ZINC000356197397 457524672 /nfs/dbraw/zinc/52/46/72/457524672.db2.gz JBLGJEQHPDWWAV-IAGOWNOFSA-N 1 2 339.483 3.275 20 30 EGEDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356215902 457540003 /nfs/dbraw/zinc/54/00/03/457540003.db2.gz KFWRRBRGRRRLKU-AWEZNQCLSA-N 1 2 339.361 3.068 20 30 EGEDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356215902 457540010 /nfs/dbraw/zinc/54/00/10/457540010.db2.gz KFWRRBRGRRRLKU-AWEZNQCLSA-N 1 2 339.361 3.068 20 30 EGEDLO CCC[C@H]([NH2+]Cc1cc(C#N)ccc1OC)c1nnc2ccccn21 ZINC000347626965 457557506 /nfs/dbraw/zinc/55/75/06/457557506.db2.gz XPCRQBKJYGBQRW-INIZCTEOSA-N 1 2 335.411 3.241 20 30 EGEDLO CC(C)COC[C@H]([NH2+][C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1ccco1 ZINC000347630564 457562850 /nfs/dbraw/zinc/56/28/50/457562850.db2.gz DNHNYDSHOPXKHU-BXWFABGCSA-N 1 2 349.475 3.026 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NCc1ccc(C#N)s1)c1ccccc1F ZINC000364354637 457577078 /nfs/dbraw/zinc/57/70/78/457577078.db2.gz AQYXWJFAOQRHQN-INIZCTEOSA-N 1 2 326.400 3.372 20 30 EGEDLO CCC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)OCC ZINC000426413584 457826455 /nfs/dbraw/zinc/82/64/55/457826455.db2.gz SZYLACOROXVVLY-UHFFFAOYSA-N 1 2 327.346 3.332 20 30 EGEDLO CCC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)OCC ZINC000426413584 457826463 /nfs/dbraw/zinc/82/64/63/457826463.db2.gz SZYLACOROXVVLY-UHFFFAOYSA-N 1 2 327.346 3.332 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000366600162 457864875 /nfs/dbraw/zinc/86/48/75/457864875.db2.gz HDAYNMMAVXESKH-HNNXBMFYSA-N 1 2 329.407 3.258 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000366600162 457864881 /nfs/dbraw/zinc/86/48/81/457864881.db2.gz HDAYNMMAVXESKH-HNNXBMFYSA-N 1 2 329.407 3.258 20 30 EGEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000361997491 457997802 /nfs/dbraw/zinc/99/78/02/457997802.db2.gz VTEVYGYYZQOCRW-GFCCVEGCSA-N 1 2 330.350 3.167 20 30 EGEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000361997491 457997807 /nfs/dbraw/zinc/99/78/07/457997807.db2.gz VTEVYGYYZQOCRW-GFCCVEGCSA-N 1 2 330.350 3.167 20 30 EGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000369214602 458126143 /nfs/dbraw/zinc/12/61/43/458126143.db2.gz KWEJRSKLRJXWRQ-UHFFFAOYSA-N 1 2 345.406 3.189 20 30 EGEDLO CCCCC[C@@H](C)NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000369215122 458127422 /nfs/dbraw/zinc/12/74/22/458127422.db2.gz OAMPSSUWGYJTFX-QGZVFWFLSA-N 1 2 342.487 3.024 20 30 EGEDLO CCCc1nc(C)c(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)o1 ZINC000428365905 458128529 /nfs/dbraw/zinc/12/85/29/458128529.db2.gz WDQYPRKPBCNAMD-SFHVURJKSA-N 1 2 338.455 3.318 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000369229015 458133417 /nfs/dbraw/zinc/13/34/17/458133417.db2.gz HTZNMIQRJSASNY-DYVFJYSZSA-N 1 2 335.398 3.110 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000369229015 458133424 /nfs/dbraw/zinc/13/34/24/458133424.db2.gz HTZNMIQRJSASNY-DYVFJYSZSA-N 1 2 335.398 3.110 20 30 EGEDLO Cc1nc(C(C)C)oc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000428395319 458135155 /nfs/dbraw/zinc/13/51/55/458135155.db2.gz DRCCYZAIVBBBBN-SFHVURJKSA-N 1 2 338.455 3.489 20 30 EGEDLO Cc1oc(C#N)cc1C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000412336896 458172495 /nfs/dbraw/zinc/17/24/95/458172495.db2.gz YPCZTJXXNUXMFV-UHFFFAOYSA-N 1 2 334.379 3.154 20 30 EGEDLO C[C@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC(C)(C)O1 ZINC000446759358 458226084 /nfs/dbraw/zinc/22/60/84/458226084.db2.gz BMBPVWSQULZXMP-ZDUSSCGKSA-N 1 2 327.346 3.436 20 30 EGEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC(C)(C)O1 ZINC000446759358 458226086 /nfs/dbraw/zinc/22/60/86/458226086.db2.gz BMBPVWSQULZXMP-ZDUSSCGKSA-N 1 2 327.346 3.436 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccncc3)CC2)CCCCC1 ZINC000448598497 458402483 /nfs/dbraw/zinc/40/24/83/458402483.db2.gz PXPUTNUGASBAOF-UHFFFAOYSA-N 1 2 327.472 3.252 20 30 EGEDLO COC(=O)c1csc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000450643074 458453602 /nfs/dbraw/zinc/45/36/02/458453602.db2.gz DEQPCXZYAVDWMS-UHFFFAOYSA-N 1 2 339.420 3.091 20 30 EGEDLO COC(=O)c1csc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000450643074 458453608 /nfs/dbraw/zinc/45/36/08/458453608.db2.gz DEQPCXZYAVDWMS-UHFFFAOYSA-N 1 2 339.420 3.091 20 30 EGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(CF)CC1 ZINC000451394028 458476052 /nfs/dbraw/zinc/47/60/52/458476052.db2.gz NVXBHXAGZOVAEI-NSHDSACASA-N 1 2 335.448 3.117 20 30 EGEDLO C=C(C)CCNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000454514575 458565247 /nfs/dbraw/zinc/56/52/47/458565247.db2.gz RVYSAKGMGHXHQA-IYBDPMFKSA-N 1 2 331.460 3.384 20 30 EGEDLO C=C(C)CCNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000454514575 458565253 /nfs/dbraw/zinc/56/52/53/458565253.db2.gz RVYSAKGMGHXHQA-IYBDPMFKSA-N 1 2 331.460 3.384 20 30 EGEDLO C[C@@H]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000424548327 458658256 /nfs/dbraw/zinc/65/82/56/458658256.db2.gz UAELSQUHIHSQFP-VQIMIIECSA-N 1 2 325.456 3.029 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)Cc1ccc(CO)o1 ZINC000512221557 458784927 /nfs/dbraw/zinc/78/49/27/458784927.db2.gz ZAIGMDUNMQMBSX-TXPKVOOTSA-N 1 2 348.487 3.091 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)Cc1ccc(CO)o1 ZINC000512221557 458784935 /nfs/dbraw/zinc/78/49/35/458784935.db2.gz ZAIGMDUNMQMBSX-TXPKVOOTSA-N 1 2 348.487 3.091 20 30 EGEDLO C=CCC(C)(C)CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000514647731 458799468 /nfs/dbraw/zinc/79/94/68/458799468.db2.gz VLIJDJWHWSKSHA-INIZCTEOSA-N 1 2 326.444 3.411 20 30 EGEDLO C[C@@H]1CCCC[C@@H]1OCCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000515122609 458805295 /nfs/dbraw/zinc/80/52/95/458805295.db2.gz LSKLMKCQUPRAOS-NQIIRXRSSA-N 1 2 341.499 3.271 20 30 EGEDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)Cc2ccccc21 ZINC000441117763 458891732 /nfs/dbraw/zinc/89/17/32/458891732.db2.gz RXYOUVWZSNOVIU-GOSISDBHSA-N 1 2 338.382 3.360 20 30 EGEDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)Cc2ccccc21 ZINC000441117763 458891735 /nfs/dbraw/zinc/89/17/35/458891735.db2.gz RXYOUVWZSNOVIU-GOSISDBHSA-N 1 2 338.382 3.360 20 30 EGEDLO C=CC[C@H](C)NC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000441164863 458894854 /nfs/dbraw/zinc/89/48/54/458894854.db2.gz FXRADVFGEMMVSN-DLBZAZTESA-N 1 2 345.487 3.266 20 30 EGEDLO C=CC[C@H](C)NC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000441164863 458894859 /nfs/dbraw/zinc/89/48/59/458894859.db2.gz FXRADVFGEMMVSN-DLBZAZTESA-N 1 2 345.487 3.266 20 30 EGEDLO C=CC[C@H](CC)NC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000466390246 458897085 /nfs/dbraw/zinc/89/70/85/458897085.db2.gz HIKRSCDYVIJHSO-AEFFLSMTSA-N 1 2 345.487 3.438 20 30 EGEDLO CC(C)c1cccc2c1CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000475406400 458941941 /nfs/dbraw/zinc/94/19/41/458941941.db2.gz ALRIJUOXLNVRGP-FQEVSTJZSA-N 1 2 327.472 3.223 20 30 EGEDLO CC(C)c1cccc2c1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000475406400 458941945 /nfs/dbraw/zinc/94/19/45/458941945.db2.gz ALRIJUOXLNVRGP-FQEVSTJZSA-N 1 2 327.472 3.223 20 30 EGEDLO N#CC1(C(=O)N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)CCCC1 ZINC000566882698 459015995 /nfs/dbraw/zinc/01/59/95/459015995.db2.gz USMLCVZUIOKNTI-UHFFFAOYSA-N 1 2 336.439 3.428 20 30 EGEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000589984945 459060730 /nfs/dbraw/zinc/06/07/30/459060730.db2.gz PKLGTKSCDINGGN-CQSZACIVSA-N 1 2 326.375 3.337 20 30 EGEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000589984945 459060736 /nfs/dbraw/zinc/06/07/36/459060736.db2.gz PKLGTKSCDINGGN-CQSZACIVSA-N 1 2 326.375 3.337 20 30 EGEDLO Cc1c2cc(C)c(C)cc2sc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000577875951 459112103 /nfs/dbraw/zinc/11/21/03/459112103.db2.gz HLOJBHRXCUEIIA-SFHVURJKSA-N 1 2 329.469 3.400 20 30 EGEDLO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CCC#N)CC1 ZINC000567791314 459168579 /nfs/dbraw/zinc/16/85/79/459168579.db2.gz NHHQEBQNRHHVRI-AWEZNQCLSA-N 1 2 327.428 3.232 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000533025953 459177239 /nfs/dbraw/zinc/17/72/39/459177239.db2.gz LCKUGDHPYPNBRM-KRWDZBQOSA-N 1 2 340.814 3.382 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000533025953 459177244 /nfs/dbraw/zinc/17/72/44/459177244.db2.gz LCKUGDHPYPNBRM-KRWDZBQOSA-N 1 2 340.814 3.382 20 30 EGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000533071101 459184887 /nfs/dbraw/zinc/18/48/87/459184887.db2.gz ZSTNQTDXMMCLJR-MRXNPFEDSA-N 1 2 349.434 3.086 20 30 EGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCc2ccc(O)cc2C1 ZINC000533071101 459184894 /nfs/dbraw/zinc/18/48/94/459184894.db2.gz ZSTNQTDXMMCLJR-MRXNPFEDSA-N 1 2 349.434 3.086 20 30 EGEDLO C=CC[N@@H+](Cc1nnnn1Cc1ccccc1)CC1CCCCC1 ZINC000522118070 459216255 /nfs/dbraw/zinc/21/62/55/459216255.db2.gz HLTWBGAUJWSBGY-UHFFFAOYSA-N 1 2 325.460 3.290 20 30 EGEDLO C=CC[N@H+](Cc1nnnn1Cc1ccccc1)CC1CCCCC1 ZINC000522118070 459216258 /nfs/dbraw/zinc/21/62/58/459216258.db2.gz HLTWBGAUJWSBGY-UHFFFAOYSA-N 1 2 325.460 3.290 20 30 EGEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)C1 ZINC000568198853 459247029 /nfs/dbraw/zinc/24/70/29/459247029.db2.gz KEZDPPYZDDYRMU-TYNCELHUSA-N 1 2 342.365 3.045 20 30 EGEDLO CCc1ccc([C@@H]([NH2+]CCC#N)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000568254938 459259276 /nfs/dbraw/zinc/25/92/76/459259276.db2.gz WHISKUPOTUBNJZ-LJQANCHMSA-N 1 2 342.464 3.245 20 30 EGEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000580723339 459263800 /nfs/dbraw/zinc/26/38/00/459263800.db2.gz WTBWXTWXGYNKGG-GHMZBOCLSA-N 1 2 329.322 3.194 20 30 EGEDLO CC[C@]1(C)COCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000534119142 459291603 /nfs/dbraw/zinc/29/16/03/459291603.db2.gz ZESVOYXFWFJGPR-MRXNPFEDSA-N 1 2 327.346 3.438 20 30 EGEDLO CC[C@]1(C)COCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000534119142 459291607 /nfs/dbraw/zinc/29/16/07/459291607.db2.gz ZESVOYXFWFJGPR-MRXNPFEDSA-N 1 2 327.346 3.438 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000568835822 459352001 /nfs/dbraw/zinc/35/20/01/459352001.db2.gz FQWLXZCPEKNTTQ-MSOLQXFVSA-N 1 2 337.423 3.416 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595612624 459367554 /nfs/dbraw/zinc/36/75/54/459367554.db2.gz YTPNVNOVNKNPFP-OLZOCXBDSA-N 1 2 337.370 3.241 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595612624 459367559 /nfs/dbraw/zinc/36/75/59/459367559.db2.gz YTPNVNOVNKNPFP-OLZOCXBDSA-N 1 2 337.370 3.241 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+]([C@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000595614995 459368814 /nfs/dbraw/zinc/36/88/14/459368814.db2.gz NSUPJTALVHNXTP-PBHICJAKSA-N 1 2 331.847 3.461 20 30 EGEDLO N#CC[C@H]1CCC[N@H+]([C@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000595614995 459368817 /nfs/dbraw/zinc/36/88/17/459368817.db2.gz NSUPJTALVHNXTP-PBHICJAKSA-N 1 2 331.847 3.461 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)cn1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000595750492 459423851 /nfs/dbraw/zinc/42/38/51/459423851.db2.gz SWNJRSSDVXKYBB-HNNXBMFYSA-N 1 2 336.222 3.425 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)cn1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000595750492 459423854 /nfs/dbraw/zinc/42/38/54/459423854.db2.gz SWNJRSSDVXKYBB-HNNXBMFYSA-N 1 2 336.222 3.425 20 30 EGEDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@](C)(C#N)C(C)C)cc1F ZINC000595747186 459424225 /nfs/dbraw/zinc/42/42/25/459424225.db2.gz HKXDOGNGCVAXEM-QFBILLFUSA-N 1 2 347.434 3.026 20 30 EGEDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N[C@](C)(C#N)C(C)C)cc1F ZINC000595747186 459424229 /nfs/dbraw/zinc/42/42/29/459424229.db2.gz HKXDOGNGCVAXEM-QFBILLFUSA-N 1 2 347.434 3.026 20 30 EGEDLO Cn1cc(C[N@H+](C)CCC(C#N)(c2ccccc2)c2ccccc2)nn1 ZINC000595760461 459429875 /nfs/dbraw/zinc/42/98/75/459429875.db2.gz TWLHKYCIUZZPBG-UHFFFAOYSA-N 1 2 345.450 3.147 20 30 EGEDLO Cn1cc(C[N@@H+](C)CCC(C#N)(c2ccccc2)c2ccccc2)nn1 ZINC000595760461 459429882 /nfs/dbraw/zinc/42/98/82/459429882.db2.gz TWLHKYCIUZZPBG-UHFFFAOYSA-N 1 2 345.450 3.147 20 30 EGEDLO C=CC[C@H](CO)CNC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000541878900 459505040 /nfs/dbraw/zinc/50/50/40/459505040.db2.gz LXMPBBXCJMFRBP-HOTGVXAUSA-N 1 2 346.475 3.075 20 30 EGEDLO Cc1ccc2[nH+]c(CNC(=O)[C@@H](C#N)CCc3ccccc3)cn2c1 ZINC000487976664 459536251 /nfs/dbraw/zinc/53/62/51/459536251.db2.gz ZOMTWQPFNKBFFV-QGZVFWFLSA-N 1 2 332.407 3.032 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149637 459537437 /nfs/dbraw/zinc/53/74/37/459537437.db2.gz SPSIJFPYKSKFMM-IIBYNOLFSA-N 1 2 349.434 3.031 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149637 459537443 /nfs/dbraw/zinc/53/74/43/459537443.db2.gz SPSIJFPYKSKFMM-IIBYNOLFSA-N 1 2 349.434 3.031 20 30 EGEDLO Cc1cc(C[N@@H+]2CCOC[C@H]2CC(=O)c2ccccc2)ccc1C#N ZINC000488098172 459538199 /nfs/dbraw/zinc/53/81/99/459538199.db2.gz HQUWSPFOTZQWQB-HXUWFJFHSA-N 1 2 334.419 3.341 20 30 EGEDLO Cc1cc(C[N@H+]2CCOC[C@H]2CC(=O)c2ccccc2)ccc1C#N ZINC000488098172 459538204 /nfs/dbraw/zinc/53/82/04/459538204.db2.gz HQUWSPFOTZQWQB-HXUWFJFHSA-N 1 2 334.419 3.341 20 30 EGEDLO C=CCn1cccc1C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000488900632 459556286 /nfs/dbraw/zinc/55/62/86/459556286.db2.gz NKOHHRFOBBLBKI-OAHLLOKOSA-N 1 2 329.469 3.255 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000489852061 459571847 /nfs/dbraw/zinc/57/18/47/459571847.db2.gz ZGBGZICDTPYLPT-PKOBYXMFSA-N 1 2 338.382 3.401 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000489852061 459571848 /nfs/dbraw/zinc/57/18/48/459571848.db2.gz ZGBGZICDTPYLPT-PKOBYXMFSA-N 1 2 338.382 3.401 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCC1(c2ccccc2)CCCCC1 ZINC000572375281 459580056 /nfs/dbraw/zinc/58/00/56/459580056.db2.gz LVVBWKDOCTWEAP-SFHVURJKSA-N 1 2 327.472 3.287 20 30 EGEDLO Cc1nc(C2CCCCC2)sc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000572769128 459583287 /nfs/dbraw/zinc/58/32/87/459583287.db2.gz PRAJRRHKHLQFKK-KRWDZBQOSA-N 1 2 334.489 3.073 20 30 EGEDLO COc1cc(C#N)ccc1OCCOc1ccc2c(c1)[nH+]c(C)n2C ZINC000596286019 459584678 /nfs/dbraw/zinc/58/46/78/459584678.db2.gz QBMCPNPHILYOFY-UHFFFAOYSA-N 1 2 337.379 3.220 20 30 EGEDLO C#CCN1C(=O)c2ccccc2N[C@H]1c1cc(-n2cc[nH+]c2)cs1 ZINC000490932871 459591452 /nfs/dbraw/zinc/59/14/52/459591452.db2.gz BICWEGHPMPNMFJ-QGZVFWFLSA-N 1 2 334.404 3.134 20 30 EGEDLO Cc1cc(NCc2ccc[nH+]c2N2CCCC2)c(C#N)cc1[N+](=O)[O-] ZINC000596357941 459606185 /nfs/dbraw/zinc/60/61/85/459606185.db2.gz VZIPLSVKEZFDKJ-UHFFFAOYSA-N 1 2 337.383 3.382 20 30 EGEDLO C#C[C@@H]([NH2+][C@@H](C(=O)N(C)C)c1ccccc1)c1ccc(Cl)cc1 ZINC000491305351 459614679 /nfs/dbraw/zinc/61/46/79/459614679.db2.gz IPVGUXJOMXDZNV-QZTJIDSGSA-N 1 2 326.827 3.433 20 30 EGEDLO C#C[C@H](NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000491672285 459651194 /nfs/dbraw/zinc/65/11/94/459651194.db2.gz RPPVCQJFQMCIGS-IBGZPJMESA-N 1 2 348.381 3.185 20 30 EGEDLO CC[C@@H](C)[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CC(=O)OC ZINC000499801482 459654392 /nfs/dbraw/zinc/65/43/92/459654392.db2.gz VFPQVHWIDBFNSH-CYBMUJFWSA-N 1 2 343.345 3.210 20 30 EGEDLO CC[C@@H](C)[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CC(=O)OC ZINC000499801482 459654396 /nfs/dbraw/zinc/65/43/96/459654396.db2.gz VFPQVHWIDBFNSH-CYBMUJFWSA-N 1 2 343.345 3.210 20 30 EGEDLO C#C[C@@H](C)N(C)C(=O)c1ccc(OCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000491710334 459658894 /nfs/dbraw/zinc/65/88/94/459658894.db2.gz RKXVVSZUAOPKDE-MRXNPFEDSA-N 1 2 347.418 3.315 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cccc(OCCCC#N)c2)n1 ZINC000491803036 459676640 /nfs/dbraw/zinc/67/66/40/459676640.db2.gz IDQSGJAJEHQIIM-UHFFFAOYSA-N 1 2 336.439 3.221 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cccc(OCCCC#N)c2)n1 ZINC000491803036 459676644 /nfs/dbraw/zinc/67/66/44/459676644.db2.gz IDQSGJAJEHQIIM-UHFFFAOYSA-N 1 2 336.439 3.221 20 30 EGEDLO CC(C)c1nc2ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc2s1 ZINC000563006120 459693075 /nfs/dbraw/zinc/69/30/75/459693075.db2.gz XBZXJMXGLVJTGR-AWEZNQCLSA-N 1 2 332.473 3.038 20 30 EGEDLO CC(C)c1nc2ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc2s1 ZINC000563006120 459693077 /nfs/dbraw/zinc/69/30/77/459693077.db2.gz XBZXJMXGLVJTGR-AWEZNQCLSA-N 1 2 332.473 3.038 20 30 EGEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000573576789 459700814 /nfs/dbraw/zinc/70/08/14/459700814.db2.gz PUYWTCLMOCAEGF-HOCLYGCPSA-N 1 2 339.443 3.098 20 30 EGEDLO COc1cc(C#N)ccc1C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000501206635 459716316 /nfs/dbraw/zinc/71/63/16/459716316.db2.gz PUZKNRIQMMDQLU-VMPITWQZSA-N 1 2 347.462 3.398 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000563220048 459742214 /nfs/dbraw/zinc/74/22/14/459742214.db2.gz FLZKVFQAXUMZBH-MRXNPFEDSA-N 1 2 342.270 3.276 20 30 EGEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000564098315 459771427 /nfs/dbraw/zinc/77/14/27/459771427.db2.gz LYLKNYSGEKPCTO-NEPJUHHUSA-N 1 2 338.249 3.366 20 30 EGEDLO CCC(C#N)(CC)c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000528119709 459799264 /nfs/dbraw/zinc/79/92/64/459799264.db2.gz NJISCNPNYWNEMO-MRXNPFEDSA-N 1 2 340.427 3.224 20 30 EGEDLO CCC(C#N)(CC)c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000528119709 459799267 /nfs/dbraw/zinc/79/92/67/459799267.db2.gz NJISCNPNYWNEMO-MRXNPFEDSA-N 1 2 340.427 3.224 20 30 EGEDLO Cc1cccc2[nH]c(C[NH+]3CCN(c4cnccc4C#N)CC3)cc21 ZINC000597129412 459846069 /nfs/dbraw/zinc/84/60/69/459846069.db2.gz JRJCRUJMXRSETM-UHFFFAOYSA-N 1 2 331.423 3.065 20 30 EGEDLO N#CCCCCCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000588146988 459919499 /nfs/dbraw/zinc/91/94/99/459919499.db2.gz XXXXRWASWFLRGQ-DHZHZOJOSA-N 1 2 325.456 3.318 20 30 EGEDLO N#C[C@@H](NC(=O)CCCn1cc[nH+]c1)c1cccc(Cl)c1Cl ZINC000609414172 459959444 /nfs/dbraw/zinc/95/94/44/459959444.db2.gz QQLTYEVFOQUEOQ-CYBMUJFWSA-N 1 2 337.210 3.351 20 30 EGEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000598614170 459963639 /nfs/dbraw/zinc/96/36/39/459963639.db2.gz PEUVPSRWESWLJG-INIZCTEOSA-N 1 2 331.847 3.411 20 30 EGEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000598614170 459963644 /nfs/dbraw/zinc/96/36/44/459963644.db2.gz PEUVPSRWESWLJG-INIZCTEOSA-N 1 2 331.847 3.411 20 30 EGEDLO C[C@H](CNc1cc(Br)c(C#N)cc1F)Cn1cc[nH+]c1 ZINC000589108522 460031290 /nfs/dbraw/zinc/03/12/90/460031290.db2.gz WFJAWVFMJDEMDP-SNVBAGLBSA-N 1 2 337.196 3.405 20 30 EGEDLO C=CCCn1cc(C[N@H+]2CCCC[C@H]2CCC(=O)OC(C)(C)C)nn1 ZINC000594011289 460055342 /nfs/dbraw/zinc/05/53/42/460055342.db2.gz RQOKWMRAFJNUPL-KRWDZBQOSA-N 1 2 348.491 3.331 20 30 EGEDLO C=CCCn1cc(C[N@@H+]2CCCC[C@H]2CCC(=O)OC(C)(C)C)nn1 ZINC000594011289 460055348 /nfs/dbraw/zinc/05/53/48/460055348.db2.gz RQOKWMRAFJNUPL-KRWDZBQOSA-N 1 2 348.491 3.331 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000576231011 460097870 /nfs/dbraw/zinc/09/78/70/460097870.db2.gz WMCJLQYCUGZDNV-FMKPAKJESA-N 1 2 340.254 3.057 20 30 EGEDLO Cc1[nH+]c2cc(NC(=O)CSc3ccc(C#N)cc3)ccc2n1C ZINC000610310350 460116338 /nfs/dbraw/zinc/11/63/38/460116338.db2.gz VEBZWCYTNPPWJR-UHFFFAOYSA-N 1 2 336.420 3.484 20 30 EGEDLO COc1cc(C#N)ccc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000576546542 460164874 /nfs/dbraw/zinc/16/48/74/460164874.db2.gz VKNVROAZPFMDNL-UHFFFAOYSA-N 1 2 332.363 3.064 20 30 EGEDLO COC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000602881517 460169048 /nfs/dbraw/zinc/16/90/48/460169048.db2.gz JUPWZACHOCDDFD-IBGZPJMESA-N 1 2 336.435 3.362 20 30 EGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(C)(F)CC1 ZINC000602992654 460214553 /nfs/dbraw/zinc/21/45/53/460214553.db2.gz BMQPNSULMBHTDX-LLVKDONJSA-N 1 2 335.448 3.259 20 30 EGEDLO C[C@@H]1CC(F)(F)CC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000599621789 460290250 /nfs/dbraw/zinc/29/02/50/460290250.db2.gz GACGWOOKDRSYPG-GFCCVEGCSA-N 1 2 339.411 3.360 20 30 EGEDLO C[C@@H]1CC(F)(F)CC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000599621789 460290255 /nfs/dbraw/zinc/29/02/55/460290255.db2.gz GACGWOOKDRSYPG-GFCCVEGCSA-N 1 2 339.411 3.360 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCCc1ccccc1C)Cc1ccccc1F ZINC000615352712 460314132 /nfs/dbraw/zinc/31/41/32/460314132.db2.gz ISHUWBQRIFINAD-UHFFFAOYSA-N 1 2 340.442 3.481 20 30 EGEDLO C=CC[N@H+](CC(=O)NCCc1ccccc1C)Cc1ccccc1F ZINC000615352712 460314136 /nfs/dbraw/zinc/31/41/36/460314136.db2.gz ISHUWBQRIFINAD-UHFFFAOYSA-N 1 2 340.442 3.481 20 30 EGEDLO Cc1cc(F)ccc1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000611259947 460320897 /nfs/dbraw/zinc/32/08/97/460320897.db2.gz GSDWCHULFQTUTP-UHFFFAOYSA-N 1 2 340.402 3.193 20 30 EGEDLO Cn1c[nH+]cc1CCC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000619428210 460354003 /nfs/dbraw/zinc/35/40/03/460354003.db2.gz NQJMGBDIKVKHAS-UHFFFAOYSA-N 1 2 347.378 3.050 20 30 EGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC=CCC1 ZINC000611517393 460384358 /nfs/dbraw/zinc/38/43/58/460384358.db2.gz XSQLUWINASEGGW-CYBMUJFWSA-N 1 2 329.469 3.478 20 30 EGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC=CCC1 ZINC000611517393 460384360 /nfs/dbraw/zinc/38/43/60/460384360.db2.gz XSQLUWINASEGGW-CYBMUJFWSA-N 1 2 329.469 3.478 20 30 EGEDLO Cc1[nH]c(CN2CCC(Oc3ccc(C#N)cc3F)CC2)[nH+]c1C ZINC000600158454 460413029 /nfs/dbraw/zinc/41/30/29/460413029.db2.gz AGVAHGINFRYVEY-UHFFFAOYSA-N 1 2 328.391 3.081 20 30 EGEDLO Cc1nc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)[nH]c1C ZINC000600158454 460413038 /nfs/dbraw/zinc/41/30/38/460413038.db2.gz AGVAHGINFRYVEY-UHFFFAOYSA-N 1 2 328.391 3.081 20 30 EGEDLO N#Cc1ccc(CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1Cl ZINC000619826499 460450991 /nfs/dbraw/zinc/45/09/91/460450991.db2.gz ZQORYVSHSZZCAK-OAHLLOKOSA-N 1 2 343.818 3.372 20 30 EGEDLO C=CCCCCCN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000606816603 460742667 /nfs/dbraw/zinc/74/26/67/460742667.db2.gz CXFBMJSZPMRXJD-FQEVSTJZSA-N 1 2 343.515 3.180 20 30 EGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000665899329 461340590 /nfs/dbraw/zinc/34/05/90/461340590.db2.gz JAOZTTARQWHVKR-RTBURBONSA-N 1 2 338.455 3.417 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000641857688 461402416 /nfs/dbraw/zinc/40/24/16/461402416.db2.gz CAYDFVBWTOVYQU-UHFFFAOYSA-N 1 2 344.377 3.442 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000641857688 461402421 /nfs/dbraw/zinc/40/24/21/461402421.db2.gz CAYDFVBWTOVYQU-UHFFFAOYSA-N 1 2 344.377 3.442 20 30 EGEDLO C=CCCn1cc(C[N@@H+](C)[C@H]2CCCc3nc(CC)sc32)nn1 ZINC000653584898 461740518 /nfs/dbraw/zinc/74/05/18/461740518.db2.gz SEDCUYJJRQIVGR-HNNXBMFYSA-N 1 2 331.489 3.383 20 30 EGEDLO C=CCCn1cc(C[N@H+](C)[C@H]2CCCc3nc(CC)sc32)nn1 ZINC000653584898 461740522 /nfs/dbraw/zinc/74/05/22/461740522.db2.gz SEDCUYJJRQIVGR-HNNXBMFYSA-N 1 2 331.489 3.383 20 30 EGEDLO C=CCCn1cc(C[NH2+]Cc2cc(Br)ccc2F)nn1 ZINC000657300197 462028108 /nfs/dbraw/zinc/02/81/08/462028108.db2.gz AWYXSJJDRRNPBJ-UHFFFAOYSA-N 1 2 339.212 3.046 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@@H+](Cc3nc(C)c(C)o3)CC2)CCCC1 ZINC000648915222 462329672 /nfs/dbraw/zinc/32/96/72/462329672.db2.gz WIHCQDNGAJVPKD-UHFFFAOYSA-N 1 2 345.487 3.462 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@H+](Cc3nc(C)c(C)o3)CC2)CCCC1 ZINC000648915222 462329677 /nfs/dbraw/zinc/32/96/77/462329677.db2.gz WIHCQDNGAJVPKD-UHFFFAOYSA-N 1 2 345.487 3.462 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000190511342 547171614 /nfs/dbraw/zinc/17/16/14/547171614.db2.gz GUGYSVXWPQJHPH-ICSRJNTNSA-N 1 2 330.472 3.087 20 30 EGEDLO Cn1cc([C@@H]2CCC[N@@H+]2CC(=O)N[C@H]2CCOc3ccccc32)cn1 ZINC000328961443 547488802 /nfs/dbraw/zinc/48/88/02/547488802.db2.gz QBTMMZQPTZBQSP-IRXDYDNUSA-N 1 2 340.427 3.037 20 30 EGEDLO Cn1cc([C@@H]2CCC[N@H+]2CC(=O)N[C@H]2CCOc3ccccc32)cn1 ZINC000328961443 547488807 /nfs/dbraw/zinc/48/88/07/547488807.db2.gz QBTMMZQPTZBQSP-IRXDYDNUSA-N 1 2 340.427 3.037 20 30 EGEDLO O=C(N[C@@H]1CSc2ccccc21)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329593845 547501349 /nfs/dbraw/zinc/50/13/49/547501349.db2.gz ZVELTMXFTDMNJE-CQSZACIVSA-N 1 2 328.441 3.350 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)Nc2ccc(CC#N)cc2Cl)c2[nH+]ccn21 ZINC000577344344 548089068 /nfs/dbraw/zinc/08/90/68/548089068.db2.gz WTCNUALXAPFQMR-HZMBPMFUSA-N 1 2 329.791 3.430 20 30 EGEDLO C=CCCOCC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000684708825 550357855 /nfs/dbraw/zinc/35/78/55/550357855.db2.gz DOJQODXSFTUJMV-UHFFFAOYSA-N 1 2 347.846 3.158 20 30 EGEDLO N#Cc1ccc(OCCO[NH+]=C(N)Cc2ccc(Cl)cc2)cc1 ZINC000729987598 574901728 /nfs/dbraw/zinc/90/17/28/574901728.db2.gz MCWINADXVAPQPE-UHFFFAOYSA-N 1 2 329.787 3.332 20 30 EGEDLO NC(=[NH+]OCc1nnc(-c2cccc(Cl)c2)o1)c1ccc(F)cc1 ZINC000730098378 574919785 /nfs/dbraw/zinc/91/97/85/574919785.db2.gz GDNVJLZMXZFRNB-UHFFFAOYSA-N 1 2 346.749 3.366 20 30 EGEDLO CCN(CCO)c1ccc(C=[NH+]Nc2ccnc3ccccc32)c(C)c1 ZINC000730146340 574925280 /nfs/dbraw/zinc/92/52/80/574925280.db2.gz RLPLQDGVGUJCTE-UHFFFAOYSA-N 1 2 348.450 3.230 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000730277082 574965376 /nfs/dbraw/zinc/96/53/76/574965376.db2.gz WXOBZOXRUVUUHH-RTWAWAEBSA-N 1 2 343.430 3.378 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000730277082 574965378 /nfs/dbraw/zinc/96/53/78/574965378.db2.gz WXOBZOXRUVUUHH-RTWAWAEBSA-N 1 2 343.430 3.378 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000730286483 574966336 /nfs/dbraw/zinc/96/63/36/574966336.db2.gz CBCKXKALZSUFBQ-YOEHRIQHSA-N 1 2 340.423 3.025 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000730286483 574966338 /nfs/dbraw/zinc/96/63/38/574966338.db2.gz CBCKXKALZSUFBQ-YOEHRIQHSA-N 1 2 340.423 3.025 20 30 EGEDLO CC(C)C[N@H+](CCC#N)CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000739913927 576518770 /nfs/dbraw/zinc/51/87/70/576518770.db2.gz CONIFCHSIKDMGY-CQSZACIVSA-N 1 2 337.414 3.356 20 30 EGEDLO CC(C)C[N@@H+](CCC#N)CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000739913927 576518772 /nfs/dbraw/zinc/51/87/72/576518772.db2.gz CONIFCHSIKDMGY-CQSZACIVSA-N 1 2 337.414 3.356 20 30 EGEDLO C[NH+](C)c1ccc(N2CCC(N=Nc3ccc(Cl)nn3)CC2)cc1 ZINC000741453002 576687542 /nfs/dbraw/zinc/68/75/42/576687542.db2.gz KAGZAXFKZLAGRQ-UHFFFAOYSA-N 1 2 344.850 3.264 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2C[C@H](C)C[C@H]2c2ccccc2F)c1=S ZINC000743375165 576807402 /nfs/dbraw/zinc/80/74/02/576807402.db2.gz TWFBDNAANCXTSI-DOMZBBRYSA-N 1 2 333.436 3.175 20 30 EGEDLO C=CCn1nnn(C[N@H+]2C[C@H](C)C[C@H]2c2ccccc2F)c1=S ZINC000743375165 576807403 /nfs/dbraw/zinc/80/74/03/576807403.db2.gz TWFBDNAANCXTSI-DOMZBBRYSA-N 1 2 333.436 3.175 20 30 EGEDLO C#CC[N@@H+](CC(=O)N(C)Cc1ccccc1F)Cc1ccc(F)cc1 ZINC000744209003 576823178 /nfs/dbraw/zinc/82/31/78/576823178.db2.gz NPLRUIKECKUGMM-UHFFFAOYSA-N 1 2 342.389 3.059 20 30 EGEDLO C#CC[N@H+](CC(=O)N(C)Cc1ccccc1F)Cc1ccc(F)cc1 ZINC000744209003 576823179 /nfs/dbraw/zinc/82/31/79/576823179.db2.gz NPLRUIKECKUGMM-UHFFFAOYSA-N 1 2 342.389 3.059 20 30 EGEDLO C#CC[N@H+](CC(=O)Nc1ccc(F)cc1F)Cc1ccc(F)cc1 ZINC000744211209 576823205 /nfs/dbraw/zinc/82/32/05/576823205.db2.gz BCADYJRFEDPQIF-UHFFFAOYSA-N 1 2 332.325 3.178 20 30 EGEDLO C#CC[N@@H+](CC(=O)Nc1ccc(F)cc1F)Cc1ccc(F)cc1 ZINC000744211209 576823206 /nfs/dbraw/zinc/82/32/06/576823206.db2.gz BCADYJRFEDPQIF-UHFFFAOYSA-N 1 2 332.325 3.178 20 30 EGEDLO CC[N@H+](C)[C@H](C(=O)OCCOc1cccc(C#N)c1)c1ccccc1 ZINC000745100597 576841214 /nfs/dbraw/zinc/84/12/14/576841214.db2.gz LYJXNUKTRQVTGH-IBGZPJMESA-N 1 2 338.407 3.173 20 30 EGEDLO CC[N@@H+](C)[C@H](C(=O)OCCOc1cccc(C#N)c1)c1ccccc1 ZINC000745100597 576841215 /nfs/dbraw/zinc/84/12/15/576841215.db2.gz LYJXNUKTRQVTGH-IBGZPJMESA-N 1 2 338.407 3.173 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000823919930 607479131 /nfs/dbraw/zinc/47/91/31/607479131.db2.gz SJOYCTQJTVZMMI-UHFFFAOYSA-N 1 2 346.847 3.165 20 30 EGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000823919930 607479133 /nfs/dbraw/zinc/47/91/33/607479133.db2.gz SJOYCTQJTVZMMI-UHFFFAOYSA-N 1 2 346.847 3.165 20 30 EGEDLO Cc1cccc(C)c1NC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000031083224 1291361187 /nfs/dbraw/zinc/36/11/87/1291361187.db2.gz HZPPITAGLHYEFX-CYBMUJFWSA-N 1 2 329.375 3.107 20 30 EGEDLO CCO[C@H](C)c1nc(CO[NH+]=C(N)c2ccc(OC)cc2)cs1 ZINC000076696049 1292437976 /nfs/dbraw/zinc/43/79/76/1292437976.db2.gz LNNFIWYEHHEHKO-LLVKDONJSA-N 1 2 335.429 3.086 20 30 EGEDLO C=C[C@@](C)(CCOC)COC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835336543 1293266219 /nfs/dbraw/zinc/26/62/19/1293266219.db2.gz IBRHZJOKNWAFBV-IBGZPJMESA-N 1 2 328.412 3.317 20 30 EGEDLO Cc1cccn2c(/C=C/C(=O)c3ccc(N4CCOC4=O)cc3)c[nH+]c12 ZINC000125355676 1293505233 /nfs/dbraw/zinc/50/52/33/1293505233.db2.gz CEWYSOMZGFIGDD-CMDGGOBGSA-N 1 2 347.374 3.495 20 30 EGEDLO Cc1cc(C(N)=[NH+]OCc2nnc(-c3ccccc3)s2)ccc1F ZINC000127919779 1293577535 /nfs/dbraw/zinc/57/75/35/1293577535.db2.gz BTRCTEIKFFZGME-UHFFFAOYSA-N 1 2 342.399 3.490 20 30 EGEDLO Cc1cccn2c(/C=C3/S/C(=N/C4CCCC4)NC3=O)c[nH+]c12 ZINC000172691407 1294442100 /nfs/dbraw/zinc/44/21/00/1294442100.db2.gz HGUASLNBDMMDSV-NTEUORMPSA-N 1 2 326.425 3.145 20 30 EGEDLO C#CCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000179251252 1294781815 /nfs/dbraw/zinc/78/18/15/1294781815.db2.gz VNNXVCDHODMXOX-UHFFFAOYSA-N 1 2 326.469 3.369 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(OC)c(Cl)c2)c1 ZINC000179254471 1294782206 /nfs/dbraw/zinc/78/22/06/1294782206.db2.gz PXWXTGOIBMQYQT-UHFFFAOYSA-N 1 2 342.826 3.400 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(OC)c(Cl)c2)c1 ZINC000179254471 1294782210 /nfs/dbraw/zinc/78/22/10/1294782210.db2.gz PXWXTGOIBMQYQT-UHFFFAOYSA-N 1 2 342.826 3.400 20 30 EGEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1cnn(Cc2ccccc2)c1 ZINC000180315845 1294879855 /nfs/dbraw/zinc/87/98/55/1294879855.db2.gz CAWQYKHOFSSGMU-MDZDMXLPSA-N 1 2 328.375 3.475 20 30 EGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000182031788 1295014268 /nfs/dbraw/zinc/01/42/68/1295014268.db2.gz UDGMFDPPJXFYAD-AWEZNQCLSA-N 1 2 332.363 3.415 20 30 EGEDLO NC(=[NH+]OCc1cccnc1)c1ccc(OCc2ccccc2)cc1 ZINC000193589168 1295889670 /nfs/dbraw/zinc/88/96/70/1295889670.db2.gz YNRNECXXALEREW-UHFFFAOYSA-N 1 2 333.391 3.498 20 30 EGEDLO Cc1ccc(C#N)cc1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000353778939 1297444003 /nfs/dbraw/zinc/44/40/03/1297444003.db2.gz OKLCBPQHERYXKA-UHFFFAOYSA-N 1 2 330.391 3.293 20 30 EGEDLO Cc1cccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC000586066190 1298048963 /nfs/dbraw/zinc/04/89/63/1298048963.db2.gz RIZIAXMWUZZWQF-HXUWFJFHSA-N 1 2 333.435 3.261 20 30 EGEDLO Cc1cccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC000586066190 1298048975 /nfs/dbraw/zinc/04/89/75/1298048975.db2.gz RIZIAXMWUZZWQF-HXUWFJFHSA-N 1 2 333.435 3.261 20 30 EGEDLO COc1ccc(N2CC[NH+](CC#Cc3ccc(F)cc3)CC2)cc1F ZINC000747659206 1298821272 /nfs/dbraw/zinc/82/12/72/1298821272.db2.gz YNBJFLKWYTXTCO-UHFFFAOYSA-N 1 2 342.389 3.147 20 30 EGEDLO Cc1c(C(=O)/C=C/c2c[nH+]c3cccc(C)n23)c(C#N)c2n1CCC2 ZINC000749005908 1299124315 /nfs/dbraw/zinc/12/43/15/1299124315.db2.gz NQBAVTVYUBSZEI-CMDGGOBGSA-N 1 2 330.391 3.467 20 30 EGEDLO Cc1[nH+]cc(CN=Nc2cc(Cl)nc(C)n2)n1-c1ccccc1 ZINC000755746366 1300389018 /nfs/dbraw/zinc/38/90/18/1300389018.db2.gz XULKUFYVQOMGQT-UHFFFAOYSA-N 1 2 326.791 3.379 20 30 EGEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1sc(-c2ccc(C)o2)nc1C ZINC000756542237 1300516921 /nfs/dbraw/zinc/51/69/21/1300516921.db2.gz GSIXGJFCNGNQQW-CQSZACIVSA-N 1 2 344.436 3.274 20 30 EGEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1sc(-c2ccc(C)o2)nc1C ZINC000756542237 1300516926 /nfs/dbraw/zinc/51/69/26/1300516926.db2.gz GSIXGJFCNGNQQW-CQSZACIVSA-N 1 2 344.436 3.274 20 30 EGEDLO N#Cc1cccn(C[N@@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)c1=O ZINC000758224940 1300822422 /nfs/dbraw/zinc/82/24/22/1300822422.db2.gz MLOHUKFWFNYRMG-IBGZPJMESA-N 1 2 332.407 3.386 20 30 EGEDLO N#Cc1cccn(C[N@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)c1=O ZINC000758224940 1300822433 /nfs/dbraw/zinc/82/24/33/1300822433.db2.gz MLOHUKFWFNYRMG-IBGZPJMESA-N 1 2 332.407 3.386 20 30 EGEDLO CC#CC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000764497648 1302074787 /nfs/dbraw/zinc/07/47/87/1302074787.db2.gz BVSASPUJYQFSFI-UHFFFAOYSA-N 1 2 329.403 3.238 20 30 EGEDLO CC(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1cc(Cl)c(Cl)cc1O ZINC000766028855 1302373458 /nfs/dbraw/zinc/37/34/58/1302373458.db2.gz IEAVCEJYBWLWSM-CHWSQXEVSA-N 1 2 341.242 3.283 20 30 EGEDLO N#Cc1c2c(cn(C[N@H+]3CCC[C@@H]3c3cccc(F)c3)c1=O)CCC2 ZINC000766614030 1302487694 /nfs/dbraw/zinc/48/76/94/1302487694.db2.gz YQICQVLFQSRTKQ-LJQANCHMSA-N 1 2 337.398 3.142 20 30 EGEDLO N#Cc1c2c(cn(C[N@@H+]3CCC[C@@H]3c3cccc(F)c3)c1=O)CCC2 ZINC000766614030 1302487700 /nfs/dbraw/zinc/48/77/00/1302487700.db2.gz YQICQVLFQSRTKQ-LJQANCHMSA-N 1 2 337.398 3.142 20 30 EGEDLO C#C[C@H](C)N(C)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000767244029 1302616665 /nfs/dbraw/zinc/61/66/65/1302616665.db2.gz KNWPQQDMLWTEEF-XJKSGUPXSA-N 1 2 349.272 3.066 20 30 EGEDLO C=CCC1(O)CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000884479043 1302873954 /nfs/dbraw/zinc/87/39/54/1302873954.db2.gz UCXCYCNMVYFWBH-UHFFFAOYSA-N 1 2 349.412 3.232 20 30 EGEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000769975904 1303201586 /nfs/dbraw/zinc/20/15/86/1303201586.db2.gz OBGOYWPBVUGCLV-HNNXBMFYSA-N 1 2 338.455 3.062 20 30 EGEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000769975904 1303201595 /nfs/dbraw/zinc/20/15/95/1303201595.db2.gz OBGOYWPBVUGCLV-HNNXBMFYSA-N 1 2 338.455 3.062 20 30 EGEDLO C#CCOc1ccccc1C[NH2+][C@H](C)c1nnn(-c2ccccc2)c1C ZINC000772989649 1303602486 /nfs/dbraw/zinc/60/24/86/1303602486.db2.gz YDMKMTJQQLGVKA-MRXNPFEDSA-N 1 2 346.434 3.439 20 30 EGEDLO C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CCCc2ccccc21 ZINC000887232177 1303708611 /nfs/dbraw/zinc/70/86/11/1303708611.db2.gz KMXGSXUCZJMXMU-GUDVDZBRSA-N 1 2 333.435 3.063 20 30 EGEDLO Cc1cc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)ccc1C#N ZINC000774911950 1303876583 /nfs/dbraw/zinc/87/65/83/1303876583.db2.gz JHRCCCAQSMCEJI-ROUUACIJSA-N 1 2 342.464 3.253 20 30 EGEDLO Cc1cc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)ccc1C#N ZINC000774911950 1303876586 /nfs/dbraw/zinc/87/65/86/1303876586.db2.gz JHRCCCAQSMCEJI-ROUUACIJSA-N 1 2 342.464 3.253 20 30 EGEDLO CC(C)[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000776030080 1304083015 /nfs/dbraw/zinc/08/30/15/1304083015.db2.gz NBQJNLXEXJYRIK-QGZVFWFLSA-N 1 2 332.444 3.283 20 30 EGEDLO C[C@H]1CCN(C(=O)Nc2cc(C#N)ccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000888360782 1304131337 /nfs/dbraw/zinc/13/13/37/1304131337.db2.gz PYLXQUUWVSQXPC-LRDDRELGSA-N 1 2 327.363 3.009 20 30 EGEDLO C[C@@H]1CCN(C(=O)Nc2cc(C#N)ccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000888360784 1304131607 /nfs/dbraw/zinc/13/16/07/1304131607.db2.gz PYLXQUUWVSQXPC-WBMJQRKESA-N 1 2 327.363 3.009 20 30 EGEDLO CC[NH+](CC)Cc1csc(NC(=O)Cc2ccccc2CC#N)n1 ZINC000777367763 1304287714 /nfs/dbraw/zinc/28/77/14/1304287714.db2.gz VALMJOPGNKYSJR-UHFFFAOYSA-N 1 2 342.468 3.232 20 30 EGEDLO CC(=O)N1CCC(=NNc2cc[nH+]c3ccccc23)c2ccccc2C1 ZINC000778542505 1304461686 /nfs/dbraw/zinc/46/16/86/1304461686.db2.gz SSCWDTKPHNGOLB-UHFFFAOYSA-N 1 2 344.418 3.225 20 30 EGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000780670897 1304723822 /nfs/dbraw/zinc/72/38/22/1304723822.db2.gz RSPMNIDHMDACRN-HUUCEWRRSA-N 1 2 339.399 3.043 20 30 EGEDLO NC(=[NH+]OCCOCC1CC1)c1ccc(OCc2ccccc2)cc1 ZINC000782320166 1304953589 /nfs/dbraw/zinc/95/35/89/1304953589.db2.gz DTJJPBVHLVUBCF-UHFFFAOYSA-N 1 2 340.423 3.329 20 30 EGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(c2cc(C#N)sc2[N+](=O)[O-])CC1 ZINC000893200727 1305759068 /nfs/dbraw/zinc/75/90/68/1305759068.db2.gz UWNWFBZMRHMGCG-NSHDSACASA-N 1 2 348.453 3.473 20 30 EGEDLO C#CCn1ccc(CN(CC)c2c(C)c[nH+]c3c(OC)cccc32)n1 ZINC000788565896 1305972187 /nfs/dbraw/zinc/97/21/87/1305972187.db2.gz SMLMKZLYOYJWOZ-UHFFFAOYSA-N 1 2 334.423 3.408 20 30 EGEDLO CN(C)c1cc(COC(=O)c2cc(-c3cccc(C#N)c3)no2)cc[nH+]1 ZINC000789123935 1306094808 /nfs/dbraw/zinc/09/48/08/1306094808.db2.gz JQBWNAJREQGUFX-UHFFFAOYSA-N 1 2 348.362 3.031 20 30 EGEDLO C[N@@H+](Cc1cc2ccccc2o1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793505045 1309385916 /nfs/dbraw/zinc/38/59/16/1309385916.db2.gz PDGJVLHZLPUTEL-UHFFFAOYSA-N 1 2 347.418 3.434 20 30 EGEDLO C[N@H+](Cc1cc2ccccc2o1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793505045 1309385925 /nfs/dbraw/zinc/38/59/25/1309385925.db2.gz PDGJVLHZLPUTEL-UHFFFAOYSA-N 1 2 347.418 3.434 20 30 EGEDLO N#Cc1ccc(-c2cccc(CNC(=O)CCc3c[nH]c[nH+]3)c2)s1 ZINC000793539580 1309399612 /nfs/dbraw/zinc/39/96/12/1309399612.db2.gz JLZIZFJXZORHOF-UHFFFAOYSA-N 1 2 336.420 3.259 20 30 EGEDLO N#Cc1ccc(-c2cccc(CNC(=O)CCc3c[nH+]c[nH]3)c2)s1 ZINC000793539580 1309399618 /nfs/dbraw/zinc/39/96/18/1309399618.db2.gz JLZIZFJXZORHOF-UHFFFAOYSA-N 1 2 336.420 3.259 20 30 EGEDLO O=C1CC2(CCCCC2)CC(=O)C1=CNNc1cccc(Cl)[nH+]1 ZINC000794185797 1309481199 /nfs/dbraw/zinc/48/11/99/1309481199.db2.gz RSYSSXCCVBOAOA-UHFFFAOYSA-N 1 2 333.819 3.418 20 30 EGEDLO C=CCC1(O)CC[NH+](Cc2cccc(Br)c2F)CC1 ZINC000895834564 1309545069 /nfs/dbraw/zinc/54/50/69/1309545069.db2.gz MWWSUGHAIJBJKP-UHFFFAOYSA-N 1 2 328.225 3.491 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H]1COC(=O)NCCCC ZINC000796155569 1309923354 /nfs/dbraw/zinc/92/33/54/1309923354.db2.gz CBPKESWDKLVFKW-ZDUSSCGKSA-N 1 2 333.270 3.276 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1COC(=O)NCCCC ZINC000796155569 1309923360 /nfs/dbraw/zinc/92/33/60/1309923360.db2.gz CBPKESWDKLVFKW-ZDUSSCGKSA-N 1 2 333.270 3.276 20 30 EGEDLO C#C[C@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)C(C)C ZINC000799182443 1310502260 /nfs/dbraw/zinc/50/22/60/1310502260.db2.gz RHRUNFXSZNBISS-HIFRSBDPSA-N 1 2 334.489 3.154 20 30 EGEDLO C#C[C@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)C(C)C ZINC000799182443 1310502265 /nfs/dbraw/zinc/50/22/65/1310502265.db2.gz RHRUNFXSZNBISS-HIFRSBDPSA-N 1 2 334.489 3.154 20 30 EGEDLO CC(C)(C)OC(=O)N1CCC2(C[NH+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC000897895298 1310510085 /nfs/dbraw/zinc/51/00/85/1310510085.db2.gz WESGSHYQOGSPGM-UHFFFAOYSA-N 1 2 345.418 3.140 20 30 EGEDLO CC[NH+](CC)Cc1csc(NC(=O)[C@@]2(C#N)CC23CCCC3)n1 ZINC000898312713 1310674253 /nfs/dbraw/zinc/67/42/53/1310674253.db2.gz KMBCPPFUABRAIV-KRWDZBQOSA-N 1 2 332.473 3.397 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@H]3CCCC3(F)F)CC2)cc1 ZINC000929364045 1328579677 /nfs/dbraw/zinc/57/96/77/1328579677.db2.gz XDQBSOBGNFJMKE-QGZVFWFLSA-N 1 2 347.409 3.028 20 30 EGEDLO N#Cc1ccccc1-c1ccccc1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802235527 1316991123 /nfs/dbraw/zinc/99/11/23/1316991123.db2.gz OCNHWTVNZLVLTG-INIZCTEOSA-N 1 2 338.382 3.426 20 30 EGEDLO N#Cc1ccccc1-c1ccccc1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802235527 1316991128 /nfs/dbraw/zinc/99/11/28/1316991128.db2.gz OCNHWTVNZLVLTG-INIZCTEOSA-N 1 2 338.382 3.426 20 30 EGEDLO C=CCC[NH+]1CCC2(CCN(C(=O)C(F)C(F)(F)F)CC2)CC1 ZINC000957552404 1317448679 /nfs/dbraw/zinc/44/86/79/1317448679.db2.gz NIABIWUCEZXXQL-CYBMUJFWSA-N 1 2 336.373 3.168 20 30 EGEDLO C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)CC1 ZINC000957552404 1317448684 /nfs/dbraw/zinc/44/86/84/1317448684.db2.gz NIABIWUCEZXXQL-CYBMUJFWSA-N 1 2 336.373 3.168 20 30 EGEDLO C#CCN(Cc1ccccc1)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000806899042 1317535802 /nfs/dbraw/zinc/53/58/02/1317535802.db2.gz UZDBJPJZMNHGKK-UHFFFAOYSA-N 1 2 346.434 3.030 20 30 EGEDLO C#C[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)C(C)(C)C ZINC000808315595 1317660427 /nfs/dbraw/zinc/66/04/27/1317660427.db2.gz JTCFRYYVXGDFCW-GOEBONIOSA-N 1 2 333.501 3.184 20 30 EGEDLO Cc1cc(C)c(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c(C)[nH+]1 ZINC000907164243 1318192697 /nfs/dbraw/zinc/19/26/97/1318192697.db2.gz KVMWFDCHJJPFCN-SFHVURJKSA-N 1 2 335.407 3.092 20 30 EGEDLO N#Cc1sccc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000907835681 1318271481 /nfs/dbraw/zinc/27/14/81/1318271481.db2.gz GUXKFTJTFOZHSH-UHFFFAOYSA-N 1 2 340.452 3.172 20 30 EGEDLO C=CCCCCCCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000811927043 1318292177 /nfs/dbraw/zinc/29/21/77/1318292177.db2.gz IRHKBULEFBOXNU-ROUUACIJSA-N 1 2 337.508 3.018 20 30 EGEDLO Cc1nc(N2CCC([N@H+](C)CC(F)F)CC2)c(Cl)cc1C#N ZINC000812461308 1318396640 /nfs/dbraw/zinc/39/66/40/1318396640.db2.gz OOAXBYSSGSLAGF-UHFFFAOYSA-N 1 2 328.794 3.081 20 30 EGEDLO Cc1nc(N2CCC([N@@H+](C)CC(F)F)CC2)c(Cl)cc1C#N ZINC000812461308 1318396651 /nfs/dbraw/zinc/39/66/51/1318396651.db2.gz OOAXBYSSGSLAGF-UHFFFAOYSA-N 1 2 328.794 3.081 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCN1C(=O)CCC1CC1 ZINC000960494435 1318603907 /nfs/dbraw/zinc/60/39/07/1318603907.db2.gz VDQFOJTVVSTHOR-LJQANCHMSA-N 1 2 343.446 3.310 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCN1C(=O)CCC1CC1 ZINC000960494435 1318603915 /nfs/dbraw/zinc/60/39/15/1318603915.db2.gz VDQFOJTVVSTHOR-LJQANCHMSA-N 1 2 343.446 3.310 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ncc(C)o1 ZINC000960646787 1318766938 /nfs/dbraw/zinc/76/69/38/1318766938.db2.gz FUXQOYVCIJCNNW-CQSZACIVSA-N 1 2 339.867 3.185 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ncc(C)o1 ZINC000960646787 1318766948 /nfs/dbraw/zinc/76/69/48/1318766948.db2.gz FUXQOYVCIJCNNW-CQSZACIVSA-N 1 2 339.867 3.185 20 30 EGEDLO COCCN(C)c1ccc(C=[NH+]Nc2ccc(F)c(F)c2F)cn1 ZINC000814945810 1318857640 /nfs/dbraw/zinc/85/76/40/1318857640.db2.gz QWQMSXXRCNARJN-UHFFFAOYSA-N 1 2 338.333 3.028 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1csc(C)n1 ZINC000960826061 1318950403 /nfs/dbraw/zinc/95/04/03/1318950403.db2.gz IHJNUDKXJIWTAK-WMZOPIPTSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1csc(C)n1 ZINC000960826061 1318950409 /nfs/dbraw/zinc/95/04/09/1318950409.db2.gz IHJNUDKXJIWTAK-WMZOPIPTSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2coc(C3CC3)n2)C1 ZINC000960845306 1318979434 /nfs/dbraw/zinc/97/94/34/1318979434.db2.gz DPYKNWJOVOWOLG-QGZVFWFLSA-N 1 2 343.471 3.331 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2coc(C3CC3)n2)C1 ZINC000960845306 1318979438 /nfs/dbraw/zinc/97/94/38/1318979438.db2.gz DPYKNWJOVOWOLG-QGZVFWFLSA-N 1 2 343.471 3.331 20 30 EGEDLO C[C@H](NC(=O)N1CCC(Nc2cccc[nH+]2)CC1)c1ccc(C#N)cc1 ZINC000914205683 1319265612 /nfs/dbraw/zinc/26/56/12/1319265612.db2.gz XGGJHYQAPOYYSP-HNNXBMFYSA-N 1 2 349.438 3.300 20 30 EGEDLO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2cnccc2N)ccc1OC ZINC000817917038 1319460467 /nfs/dbraw/zinc/46/04/67/1319460467.db2.gz DKUCBAGDRHHCOZ-ZFWWWQNUSA-N 1 2 340.427 3.035 20 30 EGEDLO CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2c[nH+]ccc2N)ccc1OC ZINC000817917038 1319460472 /nfs/dbraw/zinc/46/04/72/1319460472.db2.gz DKUCBAGDRHHCOZ-ZFWWWQNUSA-N 1 2 340.427 3.035 20 30 EGEDLO C[C@@H]1CCCC[C@@H]1NC(=S)NN=C1CCN(c2cccc[nH+]2)CC1 ZINC000915943764 1319568152 /nfs/dbraw/zinc/56/81/52/1319568152.db2.gz BGJMJSPKMYPSKJ-ZBFHGGJFSA-N 1 2 345.516 3.081 20 30 EGEDLO S=C(NN=Cc1ccc(-n2cc[nH+]c2)cc1)NC1CCCCC1 ZINC000917025790 1319740627 /nfs/dbraw/zinc/74/06/27/1319740627.db2.gz PBVKIFBXCRNCSC-UHFFFAOYSA-N 1 2 327.457 3.003 20 30 EGEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000824867617 1320292837 /nfs/dbraw/zinc/29/28/37/1320292837.db2.gz STQOJZIHRUEJFX-UHFFFAOYSA-N 1 2 343.814 3.167 20 30 EGEDLO C=CCN1CCN(C[NH+]2CCC(Oc3ccccc3Cl)CC2)C1=O ZINC000840033230 1321017258 /nfs/dbraw/zinc/01/72/58/1321017258.db2.gz IDGWBYIJLORYOU-UHFFFAOYSA-N 1 2 349.862 3.064 20 30 EGEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000840742788 1321139280 /nfs/dbraw/zinc/13/92/80/1321139280.db2.gz CSOCKHNYZUUQDA-ZDUSSCGKSA-N 1 2 336.482 3.062 20 30 EGEDLO C[C@H]1C[N@H+](Cc2ccc(F)cc2C#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000859616643 1329035888 /nfs/dbraw/zinc/03/58/88/1329035888.db2.gz VRWAIJWNPWXKPO-GUYCJALGSA-N 1 2 332.419 3.497 20 30 EGEDLO C[C@H]1C[N@@H+](Cc2ccc(F)cc2C#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000859616643 1329035895 /nfs/dbraw/zinc/03/58/95/1329035895.db2.gz VRWAIJWNPWXKPO-GUYCJALGSA-N 1 2 332.419 3.497 20 30 EGEDLO N#CCc1ccccc1CC(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851400233 1323032643 /nfs/dbraw/zinc/03/26/43/1323032643.db2.gz VLCUVXPKHQIJCM-UHFFFAOYSA-N 1 2 349.434 3.150 20 30 EGEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc(-c2cccc(Br)c2)no1 ZINC000852098474 1323145777 /nfs/dbraw/zinc/14/57/77/1323145777.db2.gz OHCVKKSLHSKTNM-HNNXBMFYSA-N 1 2 334.217 3.391 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccoc2)ccc1F ZINC001024331814 1323317754 /nfs/dbraw/zinc/31/77/54/1323317754.db2.gz QPRSEJYBBZVPFA-QGZVFWFLSA-N 1 2 341.386 3.075 20 30 EGEDLO N#Cc1cc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccoc2)ccc1F ZINC001024331814 1323317761 /nfs/dbraw/zinc/31/77/61/1323317761.db2.gz QPRSEJYBBZVPFA-QGZVFWFLSA-N 1 2 341.386 3.075 20 30 EGEDLO Cc1ccoc1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001024331579 1323318676 /nfs/dbraw/zinc/31/86/76/1323318676.db2.gz LHKYDRHEFJGOOS-AWEZNQCLSA-N 1 2 343.452 3.306 20 30 EGEDLO Cc1ccoc1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC001024331579 1323318684 /nfs/dbraw/zinc/31/86/84/1323318684.db2.gz LHKYDRHEFJGOOS-AWEZNQCLSA-N 1 2 343.452 3.306 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(F)ccc1F ZINC001024480414 1323434390 /nfs/dbraw/zinc/43/43/90/1323434390.db2.gz JTOZERABKWWWKW-ZDUSSCGKSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(F)ccc1F ZINC001024480414 1323434395 /nfs/dbraw/zinc/43/43/95/1323434395.db2.gz JTOZERABKWWWKW-ZDUSSCGKSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2oc(C)nc2c1 ZINC001024503297 1323450808 /nfs/dbraw/zinc/45/08/08/1323450808.db2.gz ZKFGETQNLNWMIS-HNNXBMFYSA-N 1 2 347.846 3.473 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2oc(C)nc2c1 ZINC001024503297 1323450815 /nfs/dbraw/zinc/45/08/15/1323450815.db2.gz ZKFGETQNLNWMIS-HNNXBMFYSA-N 1 2 347.846 3.473 20 30 EGEDLO C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)c1n[nH]c2ccc(C)cc21 ZINC001024528570 1323475983 /nfs/dbraw/zinc/47/59/83/1323475983.db2.gz KLKHMYPRQKTZMP-INIZCTEOSA-N 1 2 340.471 3.422 20 30 EGEDLO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)c1n[nH]c2ccc(C)cc21 ZINC001024528570 1323475987 /nfs/dbraw/zinc/47/59/87/1323475987.db2.gz KLKHMYPRQKTZMP-INIZCTEOSA-N 1 2 340.471 3.422 20 30 EGEDLO C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1Cl ZINC001024605949 1323534889 /nfs/dbraw/zinc/53/48/89/1323534889.db2.gz GCURPXFZWYVXRT-SZMVWBNQSA-N 1 2 344.886 3.318 20 30 EGEDLO C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC001024605949 1323534894 /nfs/dbraw/zinc/53/48/94/1323534894.db2.gz GCURPXFZWYVXRT-SZMVWBNQSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(OC)cc1C ZINC001024626082 1323554037 /nfs/dbraw/zinc/55/40/37/1323554037.db2.gz BFFDIFUSXJESSQ-HNNXBMFYSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(OC)cc1C ZINC001024626082 1323554039 /nfs/dbraw/zinc/55/40/39/1323554039.db2.gz BFFDIFUSXJESSQ-HNNXBMFYSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCCC[C@H]1C[NH2+]Cc1nc(C(C)C)no1 ZINC001025037765 1323840141 /nfs/dbraw/zinc/84/01/41/1323840141.db2.gz ARNNXZDUWROPHV-HNNXBMFYSA-N 1 2 348.491 3.266 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCCC[C@H]1C[NH2+]Cc1nnc(C(C)C)o1 ZINC001025069583 1323871103 /nfs/dbraw/zinc/87/11/03/1323871103.db2.gz LVEXCSAZNIXJGE-HNAYVOBHSA-N 1 2 348.491 3.266 20 30 EGEDLO FC(F)(F)c1cnc(N=NCc2c[nH+]c3n2CCC3)c(Cl)c1 ZINC000853260393 1325073978 /nfs/dbraw/zinc/07/39/78/1325073978.db2.gz QXXPRSBPXZGKBT-UHFFFAOYSA-N 1 2 329.713 3.343 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](CN2C(=S)N=NC2CCC2CCCC2)C1 ZINC000853525533 1325114698 /nfs/dbraw/zinc/11/46/98/1325114698.db2.gz XXHWFEUAWHYJPD-HNNXBMFYSA-N 1 2 333.505 3.273 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](CN2C(=S)N=NC2CCC2CCCC2)C1 ZINC000853525533 1325114705 /nfs/dbraw/zinc/11/47/05/1325114705.db2.gz XXHWFEUAWHYJPD-HNNXBMFYSA-N 1 2 333.505 3.273 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](O)Cc1cccc(F)c1 ZINC000853651140 1325141459 /nfs/dbraw/zinc/14/14/59/1325141459.db2.gz QXPODYIGPCISDG-QGZVFWFLSA-N 1 2 328.387 3.028 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](CO)c1ccc(OC)cc1 ZINC000853685922 1325147127 /nfs/dbraw/zinc/14/71/27/1325147127.db2.gz QRHKYLIVIARZJD-QGZVFWFLSA-N 1 2 340.423 3.070 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC001027267867 1325368610 /nfs/dbraw/zinc/36/86/10/1325368610.db2.gz HCHRYQFVSLNDRU-CQSZACIVSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC001027267867 1325368617 /nfs/dbraw/zinc/36/86/17/1325368617.db2.gz HCHRYQFVSLNDRU-CQSZACIVSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC001027293800 1325427476 /nfs/dbraw/zinc/42/74/76/1325427476.db2.gz JXDLKXDNBMUEDE-HUUCEWRRSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC001027293800 1325427483 /nfs/dbraw/zinc/42/74/83/1325427483.db2.gz JXDLKXDNBMUEDE-HUUCEWRRSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)[C@@H](C)c2ncccn2)C1 ZINC001027519693 1327791717 /nfs/dbraw/zinc/79/17/17/1327791717.db2.gz SNODGOBYLGGKDN-HOTGVXAUSA-N 1 2 330.476 3.063 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([N@H+](C)[C@@H](C)c2ncccn2)C1 ZINC001027519693 1327791720 /nfs/dbraw/zinc/79/17/20/1327791720.db2.gz SNODGOBYLGGKDN-HOTGVXAUSA-N 1 2 330.476 3.063 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2noc3c2CCCC3)C1 ZINC001027521267 1327794315 /nfs/dbraw/zinc/79/43/15/1327794315.db2.gz AXMCYCVNVVRDOJ-OAHLLOKOSA-N 1 2 345.487 3.188 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc3c2CCCC3)C1 ZINC001027521267 1327794322 /nfs/dbraw/zinc/79/43/22/1327794322.db2.gz AXMCYCVNVVRDOJ-OAHLLOKOSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC2(C)C)C1 ZINC001027536274 1327828644 /nfs/dbraw/zinc/82/86/44/1327828644.db2.gz PPXGUQDXIDBZDQ-UONOGXRCSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC2(C)C)C1 ZINC001027536274 1327828652 /nfs/dbraw/zinc/82/86/52/1327828652.db2.gz PPXGUQDXIDBZDQ-UONOGXRCSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@H+](C)Cc3nc(C)c(C)o3)C2)CC1 ZINC001027559142 1327869664 /nfs/dbraw/zinc/86/96/64/1327869664.db2.gz OQXKLZMWSFIYRS-GOSISDBHSA-N 1 2 345.487 3.461 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3nc(C)c(C)o3)C2)CC1 ZINC001027559142 1327869670 /nfs/dbraw/zinc/86/96/70/1327869670.db2.gz OQXKLZMWSFIYRS-GOSISDBHSA-N 1 2 345.487 3.461 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CCCCC1 ZINC001027729098 1328151394 /nfs/dbraw/zinc/15/13/94/1328151394.db2.gz OTUJWORKAYRUEC-CQSZACIVSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)C1CCCCC1 ZINC001027729098 1328151398 /nfs/dbraw/zinc/15/13/98/1328151398.db2.gz OTUJWORKAYRUEC-CQSZACIVSA-N 1 2 329.282 3.056 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2CNC(=O)c2cccs2)c1 ZINC001027734461 1328161482 /nfs/dbraw/zinc/16/14/82/1328161482.db2.gz ZGAOYHAMLSAJHK-HNNXBMFYSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2CNC(=O)c2cccs2)c1 ZINC001027734461 1328161486 /nfs/dbraw/zinc/16/14/86/1328161486.db2.gz ZGAOYHAMLSAJHK-HNNXBMFYSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2CNC(=O)c2ccsc2)c1 ZINC001027743668 1328172017 /nfs/dbraw/zinc/17/20/17/1328172017.db2.gz NERKHEGXFBRJMY-MRXNPFEDSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2CNC(=O)c2ccsc2)c1 ZINC001027743668 1328172021 /nfs/dbraw/zinc/17/20/21/1328172021.db2.gz NERKHEGXFBRJMY-MRXNPFEDSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001027749496 1328182904 /nfs/dbraw/zinc/18/29/04/1328182904.db2.gz XFKDDXQNBNMZNM-DNVCBOLYSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001027749496 1328182914 /nfs/dbraw/zinc/18/29/14/1328182914.db2.gz XFKDDXQNBNMZNM-DNVCBOLYSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)o1 ZINC001027757311 1328194549 /nfs/dbraw/zinc/19/45/49/1328194549.db2.gz YDNGYKBFIKNZAN-HNNXBMFYSA-N 1 2 343.814 3.199 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)o1 ZINC001027757311 1328194553 /nfs/dbraw/zinc/19/45/53/1328194553.db2.gz YDNGYKBFIKNZAN-HNNXBMFYSA-N 1 2 343.814 3.199 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC000966722335 1328392431 /nfs/dbraw/zinc/39/24/31/1328392431.db2.gz LVXHSEVHWIGYFS-BMIGLBTASA-N 1 2 328.790 3.158 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC000966722335 1328392436 /nfs/dbraw/zinc/39/24/36/1328392436.db2.gz LVXHSEVHWIGYFS-BMIGLBTASA-N 1 2 328.790 3.158 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ncoc1-c1ccccc1 ZINC001027918243 1328396726 /nfs/dbraw/zinc/39/67/26/1328396726.db2.gz LCYSAUJZOZHBOK-HNNXBMFYSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ncoc1-c1ccccc1 ZINC001027918243 1328396732 /nfs/dbraw/zinc/39/67/32/1328396732.db2.gz LCYSAUJZOZHBOK-HNNXBMFYSA-N 1 2 345.830 3.288 20 30 EGEDLO Cc1cccc(N[NH+]=Cc2c(Cl)nc(N)nc2N2CCCC2)c1 ZINC000863950589 1329591114 /nfs/dbraw/zinc/59/11/14/1329591114.db2.gz CWMOXFKVNBRETR-UHFFFAOYSA-N 1 2 330.823 3.067 20 30 EGEDLO Cc1noc(C[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3C#N)C2)n1 ZINC000933568287 1329901621 /nfs/dbraw/zinc/90/16/21/1329901621.db2.gz CFXQXVVAJSKEAY-ZDUSSCGKSA-N 1 2 330.819 3.358 20 30 EGEDLO Cc1noc(C[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)n1 ZINC000933568287 1329901622 /nfs/dbraw/zinc/90/16/22/1329901622.db2.gz CFXQXVVAJSKEAY-ZDUSSCGKSA-N 1 2 330.819 3.358 20 30 EGEDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1cccc(CC#N)c1 ZINC000867628395 1330211747 /nfs/dbraw/zinc/21/17/47/1330211747.db2.gz ZKXFKCXHVMPQMC-UHFFFAOYSA-N 1 2 329.425 3.143 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)CC2CCC2)C(C)(C)C1 ZINC000940633440 1331133921 /nfs/dbraw/zinc/13/39/21/1331133921.db2.gz ADSKOKAMVFOMKG-CQSZACIVSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)CC2CCC2)C(C)(C)C1 ZINC000940633440 1331133925 /nfs/dbraw/zinc/13/39/25/1331133925.db2.gz ADSKOKAMVFOMKG-CQSZACIVSA-N 1 2 343.309 3.302 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)c2ccco2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000946991145 1332958237 /nfs/dbraw/zinc/95/82/37/1332958237.db2.gz LSANUPDYSPSJGJ-DYVFJYSZSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)c2ccco2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000946991145 1332958240 /nfs/dbraw/zinc/95/82/40/1332958240.db2.gz LSANUPDYSPSJGJ-DYVFJYSZSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)c2ccoc2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947060882 1332997439 /nfs/dbraw/zinc/99/74/39/1332997439.db2.gz KLPPVCIBMDMGRN-SCLBCKFNSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)c2ccoc2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947060882 1332997441 /nfs/dbraw/zinc/99/74/41/1332997441.db2.gz KLPPVCIBMDMGRN-SCLBCKFNSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)C2(C)CCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947613080 1333192551 /nfs/dbraw/zinc/19/25/51/1333192551.db2.gz ZYYCIVLNDZFHFV-KSSFIOAISA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)C2(C)CCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947613080 1333192552 /nfs/dbraw/zinc/19/25/52/1333192552.db2.gz ZYYCIVLNDZFHFV-KSSFIOAISA-N 1 2 343.446 3.357 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cocc2C)C[C@@H]1C ZINC000947624030 1333197035 /nfs/dbraw/zinc/19/70/35/1333197035.db2.gz GFWXTFLAFAFUHD-STQMWFEESA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cocc2C)C[C@@H]1C ZINC000947624030 1333197040 /nfs/dbraw/zinc/19/70/40/1333197040.db2.gz GFWXTFLAFAFUHD-STQMWFEESA-N 1 2 341.249 3.079 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1csc(C)c1C ZINC000948919240 1333733944 /nfs/dbraw/zinc/73/39/44/1333733944.db2.gz BXEZSQDNBCGXKR-IBGZPJMESA-N 1 2 338.476 3.327 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1csc(C)c1C ZINC000948919240 1333733948 /nfs/dbraw/zinc/73/39/48/1333733948.db2.gz BXEZSQDNBCGXKR-IBGZPJMESA-N 1 2 338.476 3.327 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc2c(o1)CCCC2 ZINC000948923874 1333736569 /nfs/dbraw/zinc/73/65/69/1333736569.db2.gz WKECFEGDBRYOOK-IBGZPJMESA-N 1 2 348.446 3.121 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc2c(o1)CCCC2 ZINC000948923874 1333736573 /nfs/dbraw/zinc/73/65/73/1333736573.db2.gz WKECFEGDBRYOOK-IBGZPJMESA-N 1 2 348.446 3.121 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)cc(C)n1 ZINC000948932913 1333739182 /nfs/dbraw/zinc/73/91/82/1333739182.db2.gz PQUHXURNVRUSRN-NRFANRHFSA-N 1 2 347.462 3.051 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)cc(C)n1 ZINC000948932913 1333739184 /nfs/dbraw/zinc/73/91/84/1333739184.db2.gz PQUHXURNVRUSRN-NRFANRHFSA-N 1 2 347.462 3.051 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc2ccccc2[nH]1 ZINC000948982335 1333757665 /nfs/dbraw/zinc/75/76/65/1333757665.db2.gz KGHAKBBKLFUQPF-OAQYLSRUSA-N 1 2 343.430 3.130 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc2ccccc2[nH]1 ZINC000948982335 1333757667 /nfs/dbraw/zinc/75/76/67/1333757667.db2.gz KGHAKBBKLFUQPF-OAQYLSRUSA-N 1 2 343.430 3.130 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cccn1C(C)C ZINC000948987306 1333761347 /nfs/dbraw/zinc/76/13/47/1333761347.db2.gz XBIVEPMQKQNWRZ-HXUWFJFHSA-N 1 2 335.451 3.031 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cccn1C(C)C ZINC000948987306 1333761350 /nfs/dbraw/zinc/76/13/50/1333761350.db2.gz XBIVEPMQKQNWRZ-HXUWFJFHSA-N 1 2 335.451 3.031 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC2(CC1)C[N@H+](C[C@@H](F)CC)CCO2 ZINC000949463475 1333854041 /nfs/dbraw/zinc/85/40/41/1333854041.db2.gz NUJJHZASPHYZHH-FUHWJXTLSA-N 1 2 340.483 3.030 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC2(CC1)C[N@@H+](C[C@@H](F)CC)CCO2 ZINC000949463475 1333854043 /nfs/dbraw/zinc/85/40/43/1333854043.db2.gz NUJJHZASPHYZHH-FUHWJXTLSA-N 1 2 340.483 3.030 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000949635800 1333887136 /nfs/dbraw/zinc/88/71/36/1333887136.db2.gz RHMZOJWJMWLKBR-ZWKOTPCHSA-N 1 2 336.520 3.328 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000949656214 1333890642 /nfs/dbraw/zinc/89/06/42/1333890642.db2.gz RSDIPAXYCSFMCD-UHFFFAOYSA-N 1 2 336.863 3.075 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(-c3ccncc3)o2)C1 ZINC000950505102 1334083338 /nfs/dbraw/zinc/08/33/38/1334083338.db2.gz MVJBXAFGLCUYRJ-UHFFFAOYSA-N 1 2 325.412 3.064 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2c(F)ccc(F)c2Cl)C1 ZINC000952324665 1334415923 /nfs/dbraw/zinc/41/59/23/1334415923.db2.gz HKVLUQBHHFJLNC-UHFFFAOYSA-N 1 2 328.790 3.341 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@H](C)C1 ZINC001063770073 1351997456 /nfs/dbraw/zinc/99/74/56/1351997456.db2.gz OHBKGAOBAYVSHQ-BXUZGUMPSA-N 1 2 336.867 3.213 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3c(cn2)CCCC3)C1 ZINC000967289764 1335690836 /nfs/dbraw/zinc/69/08/36/1335690836.db2.gz YFWSEZCTBVTOEN-ACJLOTCBSA-N 1 2 347.890 3.153 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3c(cn2)CCCC3)C1 ZINC000967289764 1335690837 /nfs/dbraw/zinc/69/08/37/1335690837.db2.gz YFWSEZCTBVTOEN-ACJLOTCBSA-N 1 2 347.890 3.153 20 30 EGEDLO Cc1coc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@H]2C)c1 ZINC000967892801 1335825184 /nfs/dbraw/zinc/82/51/84/1335825184.db2.gz DFFGKAKFRUCULY-CRAIPNDOSA-N 1 2 337.423 3.100 20 30 EGEDLO Cc1coc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)CC[C@H]2C)c1 ZINC000967892801 1335825189 /nfs/dbraw/zinc/82/51/89/1335825189.db2.gz DFFGKAKFRUCULY-CRAIPNDOSA-N 1 2 337.423 3.100 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc3ccncc32)C1 ZINC000968493156 1335940949 /nfs/dbraw/zinc/94/09/49/1335940949.db2.gz PKEGPDIDJXUNPP-FZKQIMNGSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc3ccncc32)C1 ZINC000968493156 1335940951 /nfs/dbraw/zinc/94/09/51/1335940951.db2.gz PKEGPDIDJXUNPP-FZKQIMNGSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC000968521751 1335952754 /nfs/dbraw/zinc/95/27/54/1335952754.db2.gz WGZMZSRXJUPKPU-BXUZGUMPSA-N 1 2 338.883 3.034 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC000968521751 1335952757 /nfs/dbraw/zinc/95/27/57/1335952757.db2.gz WGZMZSRXJUPKPU-BXUZGUMPSA-N 1 2 338.883 3.034 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2OCC)C1 ZINC000968599559 1335979998 /nfs/dbraw/zinc/97/99/98/1335979998.db2.gz YTUKTBOXACLMQB-CZUORRHYSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2OCC)C1 ZINC000968599559 1335980001 /nfs/dbraw/zinc/98/00/01/1335980001.db2.gz YTUKTBOXACLMQB-CZUORRHYSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCCC[C@H]1CNC(=O)C1CCC1 ZINC000968727254 1336026786 /nfs/dbraw/zinc/02/67/86/1336026786.db2.gz ONSAHRLWLNQADQ-AWEZNQCLSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCCCC[C@H]1CNC(=O)C1CCC1 ZINC000968727254 1336026787 /nfs/dbraw/zinc/02/67/87/1336026787.db2.gz ONSAHRLWLNQADQ-AWEZNQCLSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC12CC2 ZINC000969044464 1336125840 /nfs/dbraw/zinc/12/58/40/1336125840.db2.gz QPZDWNAMMMNDJW-ZIAGYGMSSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC12CC2 ZINC000969044464 1336125842 /nfs/dbraw/zinc/12/58/42/1336125842.db2.gz QPZDWNAMMMNDJW-ZIAGYGMSSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1sc(C)nc1C ZINC000969139501 1336158292 /nfs/dbraw/zinc/15/82/92/1336158292.db2.gz NHEAVGPOLSMJQM-CQSZACIVSA-N 1 2 341.908 3.487 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1sc(C)nc1C ZINC000969139501 1336158294 /nfs/dbraw/zinc/15/82/94/1336158294.db2.gz NHEAVGPOLSMJQM-CQSZACIVSA-N 1 2 341.908 3.487 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1c(C)noc1CC ZINC000969141710 1336159320 /nfs/dbraw/zinc/15/93/20/1336159320.db2.gz JUXGBBHSIKAEOP-CQSZACIVSA-N 1 2 339.867 3.272 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1c(C)noc1CC ZINC000969141710 1336159321 /nfs/dbraw/zinc/15/93/21/1336159321.db2.gz JUXGBBHSIKAEOP-CQSZACIVSA-N 1 2 339.867 3.272 20 30 EGEDLO C[C@@H](NC(=O)c1cccs1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969239499 1336184930 /nfs/dbraw/zinc/18/49/30/1336184930.db2.gz BPFAKHDGRLMIIH-GFCCVEGCSA-N 1 2 343.427 3.009 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2coc3c2cccc3OC)C1 ZINC000969671938 1336235665 /nfs/dbraw/zinc/23/56/65/1336235665.db2.gz AOFPDTFMNZJHLO-GFCCVEGCSA-N 1 2 348.830 3.244 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccccc2OC2CCC2)C1 ZINC000970393048 1336303153 /nfs/dbraw/zinc/30/31/53/1336303153.db2.gz HTFPULDHLFRLFD-CQSZACIVSA-N 1 2 348.874 3.421 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2c(C)noc2C(F)F)CC1 ZINC001005565722 1336372112 /nfs/dbraw/zinc/37/21/12/1336372112.db2.gz UBKCHYLZDDLECA-UHFFFAOYSA-N 1 2 347.793 3.210 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2ncc(Cl)s2)CC1 ZINC001005714419 1336396789 /nfs/dbraw/zinc/39/67/89/1336396789.db2.gz WXMRHHZSUIPFMW-UHFFFAOYSA-N 1 2 334.272 3.085 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2CC[NH+](Cc3ncc(CC)o3)CC2)C1 ZINC001005933429 1336424872 /nfs/dbraw/zinc/42/48/72/1336424872.db2.gz VOZHEPOVSUMCJT-UHFFFAOYSA-N 1 2 331.460 3.016 20 30 EGEDLO C=C1CCC(C(=O)N(C)C2CC[NH+](Cc3ccn(CC)n3)CC2)CC1 ZINC001005936213 1336426074 /nfs/dbraw/zinc/42/60/74/1336426074.db2.gz JHZPGDSZAISBBS-UHFFFAOYSA-N 1 2 344.503 3.072 20 30 EGEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)c1cccc(F)c1 ZINC001006635308 1336544254 /nfs/dbraw/zinc/54/42/54/1336544254.db2.gz CKZYXJNPUZEXHM-HXUWFJFHSA-N 1 2 336.410 3.072 20 30 EGEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1cccc(F)c1 ZINC001006635308 1336544255 /nfs/dbraw/zinc/54/42/55/1336544255.db2.gz CKZYXJNPUZEXHM-HXUWFJFHSA-N 1 2 336.410 3.072 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](NC(=O)C[C@@H]3C=CCC3)C2)c1 ZINC001006702667 1336559669 /nfs/dbraw/zinc/55/96/69/1336559669.db2.gz GZDIKOBATFLTQT-CRAIPNDOSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](NC(=O)C[C@@H]3C=CCC3)C2)c1 ZINC001006702667 1336559672 /nfs/dbraw/zinc/55/96/72/1336559672.db2.gz GZDIKOBATFLTQT-CRAIPNDOSA-N 1 2 341.430 3.134 20 30 EGEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]([C@H](C)Nc3cc[nH+]c(C)n3)C2)cc1 ZINC001063899544 1352074949 /nfs/dbraw/zinc/07/49/49/1352074949.db2.gz GBGMOEXZLQAWAZ-HNAYVOBHSA-N 1 2 348.450 3.119 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3cc(OC)ccc32)C1 ZINC001007457996 1336650880 /nfs/dbraw/zinc/65/08/80/1336650880.db2.gz CZSDPFQAKZNCKX-CRAIPNDOSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3cc(OC)ccc32)C1 ZINC001007457996 1336650881 /nfs/dbraw/zinc/65/08/81/1336650881.db2.gz CZSDPFQAKZNCKX-CRAIPNDOSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC001007504332 1336659930 /nfs/dbraw/zinc/65/99/30/1336659930.db2.gz WFDRNQJZCCSDIF-SVXFNXITSA-N 1 2 336.907 3.392 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC001007504332 1336659933 /nfs/dbraw/zinc/65/99/33/1336659933.db2.gz WFDRNQJZCCSDIF-SVXFNXITSA-N 1 2 336.907 3.392 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(c3ccccc3)CCC2)C1 ZINC001007861164 1336720207 /nfs/dbraw/zinc/72/02/07/1336720207.db2.gz XWQAKTKTQIGURJ-QGZVFWFLSA-N 1 2 332.875 3.441 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(c3ccccc3)CCC2)C1 ZINC001007861164 1336720209 /nfs/dbraw/zinc/72/02/09/1336720209.db2.gz XWQAKTKTQIGURJ-QGZVFWFLSA-N 1 2 332.875 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2(c3ccccc3)CCC2)C1 ZINC001007861160 1336720218 /nfs/dbraw/zinc/72/02/18/1336720218.db2.gz XWQAKTKTQIGURJ-KRWDZBQOSA-N 1 2 332.875 3.441 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2(c3ccccc3)CCC2)C1 ZINC001007861160 1336720221 /nfs/dbraw/zinc/72/02/21/1336720221.db2.gz XWQAKTKTQIGURJ-KRWDZBQOSA-N 1 2 332.875 3.441 20 30 EGEDLO C[C@@]1(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)C=CCC1 ZINC001008232077 1336799759 /nfs/dbraw/zinc/79/97/59/1336799759.db2.gz SHJNSJMLYKTMBL-PZJWPPBQSA-N 1 2 340.442 3.114 20 30 EGEDLO C[C@@]1(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)C=CCC1 ZINC001008232077 1336799761 /nfs/dbraw/zinc/79/97/61/1336799761.db2.gz SHJNSJMLYKTMBL-PZJWPPBQSA-N 1 2 340.442 3.114 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001008260843 1336807230 /nfs/dbraw/zinc/80/72/30/1336807230.db2.gz YOSGTUOJGBOLHK-IRXDYDNUSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001008260843 1336807233 /nfs/dbraw/zinc/80/72/33/1336807233.db2.gz YOSGTUOJGBOLHK-IRXDYDNUSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)C1 ZINC001008438495 1336853066 /nfs/dbraw/zinc/85/30/66/1336853066.db2.gz ZOQWEKOQMDLVPG-HNNXBMFYSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)C1 ZINC001008438495 1336853069 /nfs/dbraw/zinc/85/30/69/1336853069.db2.gz ZOQWEKOQMDLVPG-HNNXBMFYSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3ncoc3C(C)C)C2)C1 ZINC001008466028 1336863667 /nfs/dbraw/zinc/86/36/67/1336863667.db2.gz UHSNPLCLGBHTSA-HNNXBMFYSA-N 1 2 331.460 3.235 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3ncoc3C(C)C)C2)C1 ZINC001008466028 1336863672 /nfs/dbraw/zinc/86/36/72/1336863672.db2.gz UHSNPLCLGBHTSA-HNNXBMFYSA-N 1 2 331.460 3.235 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3nc(C)ccc3c2)C1 ZINC001008958577 1336947628 /nfs/dbraw/zinc/94/76/28/1336947628.db2.gz XOWUKOBKRBUVJX-QGZVFWFLSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3nc(C)ccc3c2)C1 ZINC001008958577 1336947632 /nfs/dbraw/zinc/94/76/32/1336947632.db2.gz XOWUKOBKRBUVJX-QGZVFWFLSA-N 1 2 343.858 3.490 20 30 EGEDLO Cc1ccsc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001009901755 1337105566 /nfs/dbraw/zinc/10/55/66/1337105566.db2.gz ABFVODJXVFIRPO-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1ccsc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001009901755 1337105567 /nfs/dbraw/zinc/10/55/67/1337105567.db2.gz ABFVODJXVFIRPO-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)c1ccccc1 ZINC001009946192 1337118481 /nfs/dbraw/zinc/11/84/81/1337118481.db2.gz CBMAVMBUQLSRLO-IBGZPJMESA-N 1 2 338.838 3.196 20 30 EGEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)c1ccccc1 ZINC001009946192 1337118484 /nfs/dbraw/zinc/11/84/84/1337118484.db2.gz CBMAVMBUQLSRLO-IBGZPJMESA-N 1 2 338.838 3.196 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)s1 ZINC001009951864 1337119821 /nfs/dbraw/zinc/11/98/21/1337119821.db2.gz POZDZSMAGQGUAX-KRWDZBQOSA-N 1 2 342.439 3.051 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)s1 ZINC001009951864 1337119822 /nfs/dbraw/zinc/11/98/22/1337119822.db2.gz POZDZSMAGQGUAX-KRWDZBQOSA-N 1 2 342.439 3.051 20 30 EGEDLO Cc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)c1 ZINC001010015914 1337142611 /nfs/dbraw/zinc/14/26/11/1337142611.db2.gz IDVADVSWVIQRCC-GOSISDBHSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)c1 ZINC001010015914 1337142613 /nfs/dbraw/zinc/14/26/13/1337142613.db2.gz IDVADVSWVIQRCC-GOSISDBHSA-N 1 2 337.398 3.010 20 30 EGEDLO CC1(C)C(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)C1(C)C ZINC001010468021 1337201418 /nfs/dbraw/zinc/20/14/18/1337201418.db2.gz FNPAQSCRKGRTEY-OAHLLOKOSA-N 1 2 343.446 3.070 20 30 EGEDLO CC1(C)C(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)C1(C)C ZINC001010468021 1337201419 /nfs/dbraw/zinc/20/14/19/1337201419.db2.gz FNPAQSCRKGRTEY-OAHLLOKOSA-N 1 2 343.446 3.070 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C3=CCCCCC3)C2)c(F)c1 ZINC001010741779 1337251314 /nfs/dbraw/zinc/25/13/14/1337251314.db2.gz QOZPBVDPYQJUKJ-SFHVURJKSA-N 1 2 341.430 3.278 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C3=CCCCCC3)C2)c(F)c1 ZINC001010741779 1337251318 /nfs/dbraw/zinc/25/13/18/1337251318.db2.gz QOZPBVDPYQJUKJ-SFHVURJKSA-N 1 2 341.430 3.278 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)co1 ZINC001010766602 1337255594 /nfs/dbraw/zinc/25/55/94/1337255594.db2.gz NVZOUUBVTOYYQW-SFHVURJKSA-N 1 2 342.826 3.097 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)co1 ZINC001010766602 1337255606 /nfs/dbraw/zinc/25/56/06/1337255606.db2.gz NVZOUUBVTOYYQW-SFHVURJKSA-N 1 2 342.826 3.097 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001014793760 1337911578 /nfs/dbraw/zinc/91/15/78/1337911578.db2.gz VJMLESLKGPJKBB-BQFCYCMXSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001014793760 1337911581 /nfs/dbraw/zinc/91/15/81/1337911581.db2.gz VJMLESLKGPJKBB-BQFCYCMXSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC001014945325 1337962479 /nfs/dbraw/zinc/96/24/79/1337962479.db2.gz ILZGRZZBPFZTPT-XQQFMLRXSA-N 1 2 338.801 3.298 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC001014945325 1337962481 /nfs/dbraw/zinc/96/24/81/1337962481.db2.gz ILZGRZZBPFZTPT-XQQFMLRXSA-N 1 2 338.801 3.298 20 30 EGEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)C1(F)CCCC1 ZINC001015012212 1337987016 /nfs/dbraw/zinc/98/70/16/1337987016.db2.gz ZSQCAFXKPCXZGV-KRWDZBQOSA-N 1 2 348.849 3.164 20 30 EGEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)C1(F)CCCC1 ZINC001015012212 1337987019 /nfs/dbraw/zinc/98/70/19/1337987019.db2.gz ZSQCAFXKPCXZGV-KRWDZBQOSA-N 1 2 348.849 3.164 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(c3cccc(F)c3)CCC2)C1 ZINC001015467400 1338150723 /nfs/dbraw/zinc/15/07/23/1338150723.db2.gz PULQAVFWXHZMED-INIZCTEOSA-N 1 2 336.838 3.190 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(c3cccc(F)c3)CCC2)C1 ZINC001015467400 1338150725 /nfs/dbraw/zinc/15/07/25/1338150725.db2.gz PULQAVFWXHZMED-INIZCTEOSA-N 1 2 336.838 3.190 20 30 EGEDLO CC1(C)CC(CC(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001015601053 1338202464 /nfs/dbraw/zinc/20/24/64/1338202464.db2.gz KGLLRMWHHDKHCD-KRWDZBQOSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC(CC(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001015601053 1338202472 /nfs/dbraw/zinc/20/24/72/1338202472.db2.gz KGLLRMWHHDKHCD-KRWDZBQOSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2CC)C1 ZINC001015622405 1338211951 /nfs/dbraw/zinc/21/19/51/1338211951.db2.gz GTRJZVDXBITVJU-RYQLBKOJSA-N 1 2 332.875 3.296 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2CC)C1 ZINC001015622405 1338211953 /nfs/dbraw/zinc/21/19/53/1338211953.db2.gz GTRJZVDXBITVJU-RYQLBKOJSA-N 1 2 332.875 3.296 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccncc3Cl)C2)CC1 ZINC001015660303 1338239839 /nfs/dbraw/zinc/23/98/39/1338239839.db2.gz XDTDYYHZBVYZJQ-INIZCTEOSA-N 1 2 333.863 3.172 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccncc3Cl)C2)CC1 ZINC001015660303 1338239843 /nfs/dbraw/zinc/23/98/43/1338239843.db2.gz XDTDYYHZBVYZJQ-INIZCTEOSA-N 1 2 333.863 3.172 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H](F)c3ccccc3)C2)s1 ZINC001015768910 1338301923 /nfs/dbraw/zinc/30/19/23/1338301923.db2.gz IETUDJWJMAEZON-RHSMWYFYSA-N 1 2 343.427 3.021 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H](F)c3ccccc3)C2)s1 ZINC001015768910 1338301927 /nfs/dbraw/zinc/30/19/27/1338301927.db2.gz IETUDJWJMAEZON-RHSMWYFYSA-N 1 2 343.427 3.021 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C3(F)CCCCC3)C2)ccc1F ZINC001015943318 1338369245 /nfs/dbraw/zinc/36/92/45/1338369245.db2.gz IQFUJEOQXTWTCG-INIZCTEOSA-N 1 2 347.409 3.060 20 30 EGEDLO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)C3(F)CCCCC3)C2)ccc1F ZINC001015943318 1338369246 /nfs/dbraw/zinc/36/92/46/1338369246.db2.gz IQFUJEOQXTWTCG-INIZCTEOSA-N 1 2 347.409 3.060 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC001016068718 1338442304 /nfs/dbraw/zinc/44/23/04/1338442304.db2.gz MVMJGNXTNHXZJB-CYBMUJFWSA-N 1 2 332.753 3.262 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC001016068718 1338442306 /nfs/dbraw/zinc/44/23/06/1338442306.db2.gz MVMJGNXTNHXZJB-CYBMUJFWSA-N 1 2 332.753 3.262 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2cccc(F)c2)c1 ZINC001017317074 1339327095 /nfs/dbraw/zinc/32/70/95/1339327095.db2.gz SQMWMCZTABXLPU-BGYRXZFFSA-N 1 2 349.409 3.186 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2cccc(F)c2)c1 ZINC001017317074 1339327096 /nfs/dbraw/zinc/32/70/96/1339327096.db2.gz SQMWMCZTABXLPU-BGYRXZFFSA-N 1 2 349.409 3.186 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001017535195 1339363553 /nfs/dbraw/zinc/36/35/53/1339363553.db2.gz KMCUQXNLAVVHLN-ZOCIIQOWSA-N 1 2 342.870 3.490 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001017535195 1339363554 /nfs/dbraw/zinc/36/35/54/1339363554.db2.gz KMCUQXNLAVVHLN-ZOCIIQOWSA-N 1 2 342.870 3.490 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(c2cccc(Cl)c2)CC1 ZINC001017600443 1339375336 /nfs/dbraw/zinc/37/53/36/1339375336.db2.gz JJKQNKCGIXDAIF-HDICACEKSA-N 1 2 342.870 3.070 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(c2cccc(Cl)c2)CC1 ZINC001017600443 1339375338 /nfs/dbraw/zinc/37/53/38/1339375338.db2.gz JJKQNKCGIXDAIF-HDICACEKSA-N 1 2 342.870 3.070 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc2ccccc2s1 ZINC001017731816 1339406544 /nfs/dbraw/zinc/40/65/44/1339406544.db2.gz IVHVVRCSOPCBEE-CALCHBBNSA-N 1 2 338.476 3.142 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc2ccccc2s1 ZINC001017731816 1339406551 /nfs/dbraw/zinc/40/65/51/1339406551.db2.gz IVHVVRCSOPCBEE-CALCHBBNSA-N 1 2 338.476 3.142 20 30 EGEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001017973617 1339471394 /nfs/dbraw/zinc/47/13/94/1339471394.db2.gz RDWQBUFWOZORLI-PLACYPQZSA-N 1 2 336.479 3.269 20 30 EGEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001017973617 1339471395 /nfs/dbraw/zinc/47/13/95/1339471395.db2.gz RDWQBUFWOZORLI-PLACYPQZSA-N 1 2 336.479 3.269 20 30 EGEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2ccccc2)ccn1 ZINC001018103611 1339501981 /nfs/dbraw/zinc/50/19/81/1339501981.db2.gz RRFQLCKCKQIKIP-KDURUIRLSA-N 1 2 333.435 3.223 20 30 EGEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2ccccc2)ccn1 ZINC001018103611 1339501982 /nfs/dbraw/zinc/50/19/82/1339501982.db2.gz RRFQLCKCKQIKIP-KDURUIRLSA-N 1 2 333.435 3.223 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC23CCCC3)c1 ZINC001018139819 1339511679 /nfs/dbraw/zinc/51/16/79/1339511679.db2.gz UXAQENQBKFXEDP-HSALFYBXSA-N 1 2 349.478 3.314 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC23CCCC3)c1 ZINC001018139819 1339511681 /nfs/dbraw/zinc/51/16/81/1339511681.db2.gz UXAQENQBKFXEDP-HSALFYBXSA-N 1 2 349.478 3.314 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C(F)(F)F ZINC001018201841 1339530624 /nfs/dbraw/zinc/53/06/24/1339530624.db2.gz HHUXNPBWPMMANK-OKILXGFUSA-N 1 2 336.357 3.018 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C(F)(F)F ZINC001018201841 1339530628 /nfs/dbraw/zinc/53/06/28/1339530628.db2.gz HHUXNPBWPMMANK-OKILXGFUSA-N 1 2 336.357 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)nc1 ZINC001028060496 1340404908 /nfs/dbraw/zinc/40/49/08/1340404908.db2.gz CLXHZDBCQLVREE-GFCCVEGCSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)nc1 ZINC001028060496 1340404911 /nfs/dbraw/zinc/40/49/11/1340404911.db2.gz CLXHZDBCQLVREE-GFCCVEGCSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@H+]2Cc2nc(C)oc2C)CC1 ZINC001028117500 1340438375 /nfs/dbraw/zinc/43/83/75/1340438375.db2.gz QCUWUMYAKWUION-QGZVFWFLSA-N 1 2 331.460 3.118 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+]2Cc2nc(C)oc2C)CC1 ZINC001028117500 1340438376 /nfs/dbraw/zinc/43/83/76/1340438376.db2.gz QCUWUMYAKWUION-QGZVFWFLSA-N 1 2 331.460 3.118 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2cccnc2c1 ZINC001028209534 1340486459 /nfs/dbraw/zinc/48/64/59/1340486459.db2.gz HTXCNJXTZSPRAK-MRXNPFEDSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2cccnc2c1 ZINC001028209534 1340486460 /nfs/dbraw/zinc/48/64/60/1340486460.db2.gz HTXCNJXTZSPRAK-MRXNPFEDSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC001028292731 1340543001 /nfs/dbraw/zinc/54/30/01/1340543001.db2.gz VZDWCVGBUOYRCL-GDBMZVCRSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC001028292731 1340543004 /nfs/dbraw/zinc/54/30/04/1340543004.db2.gz VZDWCVGBUOYRCL-GDBMZVCRSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(OC(C)C)cc1 ZINC001028302047 1340551551 /nfs/dbraw/zinc/55/15/51/1340551551.db2.gz WKOXBLJLUADNAU-INIZCTEOSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(OC(C)C)cc1 ZINC001028302047 1340551553 /nfs/dbraw/zinc/55/15/53/1340551553.db2.gz WKOXBLJLUADNAU-INIZCTEOSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C12CC(C(F)(F)F)(C1)C2 ZINC001028336840 1340573929 /nfs/dbraw/zinc/57/39/29/1340573929.db2.gz DFHMKDKQYFSHOQ-XGNXJENSSA-N 1 2 336.785 3.052 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C12CC(C(F)(F)F)(C1)C2 ZINC001028336840 1340573931 /nfs/dbraw/zinc/57/39/31/1340573931.db2.gz DFHMKDKQYFSHOQ-XGNXJENSSA-N 1 2 336.785 3.052 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C)c2c1CCC2 ZINC001028339166 1340575445 /nfs/dbraw/zinc/57/54/45/1340575445.db2.gz PPLMRVZLJFIWND-HNNXBMFYSA-N 1 2 332.875 3.430 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C)c2c1CCC2 ZINC001028339166 1340575447 /nfs/dbraw/zinc/57/54/47/1340575447.db2.gz PPLMRVZLJFIWND-HNNXBMFYSA-N 1 2 332.875 3.430 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001028343199 1340582520 /nfs/dbraw/zinc/58/25/20/1340582520.db2.gz LLUJZGCKCBDLDR-YESZJQIVSA-N 1 2 336.838 3.262 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001028343199 1340582524 /nfs/dbraw/zinc/58/25/24/1340582524.db2.gz LLUJZGCKCBDLDR-YESZJQIVSA-N 1 2 336.838 3.262 20 30 EGEDLO Cc1ccccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029195295 1340952623 /nfs/dbraw/zinc/95/26/23/1340952623.db2.gz LWRSXJFVYWVXIG-OYRHEFFESA-N 1 2 344.458 3.336 20 30 EGEDLO Cc1ccccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029195295 1340952624 /nfs/dbraw/zinc/95/26/24/1340952624.db2.gz LWRSXJFVYWVXIG-OYRHEFFESA-N 1 2 344.458 3.336 20 30 EGEDLO O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029255050 1340961620 /nfs/dbraw/zinc/96/16/20/1340961620.db2.gz GOKUSACYFXNFPM-ANWOVWILSA-N 1 2 348.490 3.150 20 30 EGEDLO O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029255050 1340961621 /nfs/dbraw/zinc/96/16/21/1340961621.db2.gz GOKUSACYFXNFPM-ANWOVWILSA-N 1 2 348.490 3.150 20 30 EGEDLO CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)CCC1 ZINC001029431809 1340989014 /nfs/dbraw/zinc/98/90/14/1340989014.db2.gz BAOCPNDQYGFSBA-BGYRXZFFSA-N 1 2 336.479 3.294 20 30 EGEDLO CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)CCC1 ZINC001029431809 1340989016 /nfs/dbraw/zinc/98/90/16/1340989016.db2.gz BAOCPNDQYGFSBA-BGYRXZFFSA-N 1 2 336.479 3.294 20 30 EGEDLO CC[C@]1(C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001029537940 1341008170 /nfs/dbraw/zinc/00/81/70/1341008170.db2.gz RKEQUMOGBHLRDC-RCLSDMTESA-N 1 2 337.467 3.170 20 30 EGEDLO CC[C@]1(C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001029537940 1341008171 /nfs/dbraw/zinc/00/81/71/1341008171.db2.gz RKEQUMOGBHLRDC-RCLSDMTESA-N 1 2 337.467 3.170 20 30 EGEDLO C#Cc1ccc(C(=O)NC2C[NH+](Cc3ccc(CC(C)C)cc3)C2)cc1 ZINC001030775491 1341223490 /nfs/dbraw/zinc/22/34/90/1341223490.db2.gz NXZNUTPAOATKOB-UHFFFAOYSA-N 1 2 346.474 3.481 20 30 EGEDLO CC[C@@H]1CCC[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031953377 1341430884 /nfs/dbraw/zinc/43/08/84/1341430884.db2.gz JHOZCKMYOABWKA-QUCCMNQESA-N 1 2 342.458 3.052 20 30 EGEDLO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@H+]2C/C=C\c1ccc(Cl)cc1 ZINC001032397258 1341506984 /nfs/dbraw/zinc/50/69/84/1341506984.db2.gz QQXORGWOKZTONK-ZBMHLEAVSA-N 1 2 340.854 3.052 20 30 EGEDLO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@@H+]2C/C=C\c1ccc(Cl)cc1 ZINC001032397258 1341506987 /nfs/dbraw/zinc/50/69/87/1341506987.db2.gz QQXORGWOKZTONK-ZBMHLEAVSA-N 1 2 340.854 3.052 20 30 EGEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)c1ccc(Cl)cc1 ZINC001032797215 1341616751 /nfs/dbraw/zinc/61/67/51/1341616751.db2.gz NDVASMSVYHTOKU-OKZBNKHCSA-N 1 2 330.859 3.142 20 30 EGEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)c1ccc(Cl)cc1 ZINC001032797215 1341616753 /nfs/dbraw/zinc/61/67/53/1341616753.db2.gz NDVASMSVYHTOKU-OKZBNKHCSA-N 1 2 330.859 3.142 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC001033085016 1341719089 /nfs/dbraw/zinc/71/90/89/1341719089.db2.gz NLARFGBDXQBRRB-HNNXBMFYSA-N 1 2 335.879 3.278 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC001033085016 1341719091 /nfs/dbraw/zinc/71/90/91/1341719091.db2.gz NLARFGBDXQBRRB-HNNXBMFYSA-N 1 2 335.879 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3nccc(C)c3c2)C1 ZINC001033111111 1341729402 /nfs/dbraw/zinc/72/94/02/1341729402.db2.gz QZJILKQTIDXXIW-INIZCTEOSA-N 1 2 343.858 3.442 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3nccc(C)c3c2)C1 ZINC001033111111 1341729403 /nfs/dbraw/zinc/72/94/03/1341729403.db2.gz QZJILKQTIDXXIW-INIZCTEOSA-N 1 2 343.858 3.442 20 30 EGEDLO C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)c2c(Cl)[nH]nc2C2CC2)C1 ZINC001033138804 1341737403 /nfs/dbraw/zinc/73/74/03/1341737403.db2.gz GPFDHBVEOPKLHM-CYBMUJFWSA-N 1 2 336.867 3.053 20 30 EGEDLO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c(Cl)[nH]nc2C2CC2)C1 ZINC001033138804 1341737407 /nfs/dbraw/zinc/73/74/07/1341737407.db2.gz GPFDHBVEOPKLHM-CYBMUJFWSA-N 1 2 336.867 3.053 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3nc(C)oc3c2)C1 ZINC001033159479 1341741561 /nfs/dbraw/zinc/74/15/61/1341741561.db2.gz CCHVDEGLGRYQIR-AWEZNQCLSA-N 1 2 333.819 3.035 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3nc(C)oc3c2)C1 ZINC001033159479 1341741562 /nfs/dbraw/zinc/74/15/62/1341741562.db2.gz CCHVDEGLGRYQIR-AWEZNQCLSA-N 1 2 333.819 3.035 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2ccc(C(F)F)cc2)C1 ZINC001033259851 1341760922 /nfs/dbraw/zinc/76/09/22/1341760922.db2.gz QBSSGMGLKVXAGT-HNNXBMFYSA-N 1 2 342.817 3.452 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc(C(F)F)cc2)C1 ZINC001033259851 1341760924 /nfs/dbraw/zinc/76/09/24/1341760924.db2.gz QBSSGMGLKVXAGT-HNNXBMFYSA-N 1 2 342.817 3.452 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2cccc(C3CC3)c2)C1 ZINC001033290048 1341768583 /nfs/dbraw/zinc/76/85/83/1341768583.db2.gz MRUDCMNNDVGUPV-GOSISDBHSA-N 1 2 332.875 3.392 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cccc(C3CC3)c2)C1 ZINC001033290048 1341768584 /nfs/dbraw/zinc/76/85/84/1341768584.db2.gz MRUDCMNNDVGUPV-GOSISDBHSA-N 1 2 332.875 3.392 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2sccc2-n2cccc2)C1 ZINC001033308422 1341776209 /nfs/dbraw/zinc/77/62/09/1341776209.db2.gz KSJNPGDAKMNYSD-CQSZACIVSA-N 1 2 349.887 3.438 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2sccc2-n2cccc2)C1 ZINC001033308422 1341776210 /nfs/dbraw/zinc/77/62/10/1341776210.db2.gz KSJNPGDAKMNYSD-CQSZACIVSA-N 1 2 349.887 3.438 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C2(C)CCCCC2)C1 ZINC001033385316 1341806380 /nfs/dbraw/zinc/80/63/80/1341806380.db2.gz RDLXIAJPDQTBFX-CQSZACIVSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(C)CCCCC2)C1 ZINC001033385316 1341806381 /nfs/dbraw/zinc/80/63/81/1341806381.db2.gz RDLXIAJPDQTBFX-CQSZACIVSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@H+](Cc3cccc(Cl)n3)C2)C1 ZINC001033400308 1341813766 /nfs/dbraw/zinc/81/37/66/1341813766.db2.gz UIUCENXVQRYXPQ-HNNXBMFYSA-N 1 2 333.863 3.124 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cccc(Cl)n3)C2)C1 ZINC001033400308 1341813767 /nfs/dbraw/zinc/81/37/67/1341813767.db2.gz UIUCENXVQRYXPQ-HNNXBMFYSA-N 1 2 333.863 3.124 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001033493200 1341845982 /nfs/dbraw/zinc/84/59/82/1341845982.db2.gz UODZCZKXQDUUBK-VNQPRFMTSA-N 1 2 336.838 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001033493200 1341845983 /nfs/dbraw/zinc/84/59/83/1341845983.db2.gz UODZCZKXQDUUBK-VNQPRFMTSA-N 1 2 336.838 3.214 20 30 EGEDLO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)cs1 ZINC001033500896 1341848663 /nfs/dbraw/zinc/84/86/63/1341848663.db2.gz PVQXSIVHOJRMEC-GOSISDBHSA-N 1 2 339.464 3.275 20 30 EGEDLO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cs1 ZINC001033500896 1341848665 /nfs/dbraw/zinc/84/86/65/1341848665.db2.gz PVQXSIVHOJRMEC-GOSISDBHSA-N 1 2 339.464 3.275 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc3c2ccn3C)C1 ZINC001033514357 1341853902 /nfs/dbraw/zinc/85/39/02/1341853902.db2.gz XFPYKEPCRXMDLV-CQSZACIVSA-N 1 2 331.847 3.077 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3c2ccn3C)C1 ZINC001033514357 1341853904 /nfs/dbraw/zinc/85/39/04/1341853904.db2.gz XFPYKEPCRXMDLV-CQSZACIVSA-N 1 2 331.847 3.077 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ncsc2C(C)C)C1 ZINC001033580483 1341881917 /nfs/dbraw/zinc/88/19/17/1341881917.db2.gz CNBMWRYLTRPLNS-LBPRGKRZSA-N 1 2 327.881 3.165 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ncsc2C(C)C)C1 ZINC001033580483 1341881919 /nfs/dbraw/zinc/88/19/19/1341881919.db2.gz CNBMWRYLTRPLNS-LBPRGKRZSA-N 1 2 327.881 3.165 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(C)n(CC3CC3)c2C)C1 ZINC001033592938 1341888658 /nfs/dbraw/zinc/88/86/58/1341888658.db2.gz JYEJDZANDPTJQO-KRWDZBQOSA-N 1 2 349.906 3.414 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)n(CC3CC3)c2C)C1 ZINC001033592938 1341888659 /nfs/dbraw/zinc/88/86/59/1341888659.db2.gz JYEJDZANDPTJQO-KRWDZBQOSA-N 1 2 349.906 3.414 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001033700037 1341967004 /nfs/dbraw/zinc/96/70/04/1341967004.db2.gz SVOJCLHBEIBRJZ-APWZRJJASA-N 1 2 332.875 3.176 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001033700037 1341967006 /nfs/dbraw/zinc/96/70/06/1341967006.db2.gz SVOJCLHBEIBRJZ-APWZRJJASA-N 1 2 332.875 3.176 20 30 EGEDLO CN(C(=O)c1ccc(F)s1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033700604 1341967112 /nfs/dbraw/zinc/96/71/12/1341967112.db2.gz BKPFYZBYWMPOLQ-OAHLLOKOSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C(=O)c1ccc(F)s1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033700604 1341967115 /nfs/dbraw/zinc/96/71/15/1341967115.db2.gz BKPFYZBYWMPOLQ-OAHLLOKOSA-N 1 2 343.427 3.105 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(N(C)CCC)cc2)C1 ZINC001033708664 1341969595 /nfs/dbraw/zinc/96/95/95/1341969595.db2.gz AISCILDUPYLMQE-GOSISDBHSA-N 1 2 349.906 3.432 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(N(C)CCC)cc2)C1 ZINC001033708664 1341969596 /nfs/dbraw/zinc/96/95/96/1341969596.db2.gz AISCILDUPYLMQE-GOSISDBHSA-N 1 2 349.906 3.432 20 30 EGEDLO CCN(C(=O)c1ccco1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033724818 1341977910 /nfs/dbraw/zinc/97/79/10/1341977910.db2.gz FTTYOKMWNHJDCZ-MRXNPFEDSA-N 1 2 341.386 3.027 20 30 EGEDLO CCN(C(=O)c1ccco1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033724818 1341977911 /nfs/dbraw/zinc/97/79/11/1341977911.db2.gz FTTYOKMWNHJDCZ-MRXNPFEDSA-N 1 2 341.386 3.027 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC001033890495 1342063598 /nfs/dbraw/zinc/06/35/98/1342063598.db2.gz PSXAZPWVEUYZQG-KRWDZBQOSA-N 1 2 338.455 3.189 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC001033890495 1342063603 /nfs/dbraw/zinc/06/36/03/1342063603.db2.gz PSXAZPWVEUYZQG-KRWDZBQOSA-N 1 2 338.455 3.189 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc(F)c2F)C1 ZINC001033938318 1342100689 /nfs/dbraw/zinc/10/06/89/1342100689.db2.gz VJUKBBLQFNQKSV-GFCCVEGCSA-N 1 2 328.790 3.254 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(F)c2F)C1 ZINC001033938318 1342100691 /nfs/dbraw/zinc/10/06/91/1342100691.db2.gz VJUKBBLQFNQKSV-GFCCVEGCSA-N 1 2 328.790 3.254 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc3ccccc3n2C)C1 ZINC001033944802 1342105972 /nfs/dbraw/zinc/10/59/72/1342105972.db2.gz YMEBLSKVZWSXNQ-MRXNPFEDSA-N 1 2 345.874 3.467 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc3ccccc3n2C)C1 ZINC001033944802 1342105973 /nfs/dbraw/zinc/10/59/73/1342105973.db2.gz YMEBLSKVZWSXNQ-MRXNPFEDSA-N 1 2 345.874 3.467 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(C(C)C)cn2)C1 ZINC001033958465 1342113313 /nfs/dbraw/zinc/11/33/13/1342113313.db2.gz PIHDZRDUWLAYGK-INIZCTEOSA-N 1 2 335.879 3.494 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C(C)C)cn2)C1 ZINC001033958465 1342113315 /nfs/dbraw/zinc/11/33/15/1342113315.db2.gz PIHDZRDUWLAYGK-INIZCTEOSA-N 1 2 335.879 3.494 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3cc[nH]c3c2)C1 ZINC001033974489 1342124481 /nfs/dbraw/zinc/12/44/81/1342124481.db2.gz HYCTZFFDEGLACI-INIZCTEOSA-N 1 2 331.847 3.457 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3cc[nH]c3c2)C1 ZINC001033974489 1342124485 /nfs/dbraw/zinc/12/44/85/1342124485.db2.gz HYCTZFFDEGLACI-INIZCTEOSA-N 1 2 331.847 3.457 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(F)cc4ccoc43)[C@@H]2C1 ZINC001075971583 1356459661 /nfs/dbraw/zinc/45/96/61/1356459661.db2.gz DEJMOTNSEQLTIS-XJKSGUPXSA-N 1 2 348.805 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(F)cc4ccoc43)[C@@H]2C1 ZINC001075971583 1356459663 /nfs/dbraw/zinc/45/96/63/1356459663.db2.gz DEJMOTNSEQLTIS-XJKSGUPXSA-N 1 2 348.805 3.471 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001034081905 1342219662 /nfs/dbraw/zinc/21/96/62/1342219662.db2.gz ZHQYZQWADJGARO-OAHLLOKOSA-N 1 2 337.261 3.180 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001034081905 1342219665 /nfs/dbraw/zinc/21/96/65/1342219665.db2.gz ZHQYZQWADJGARO-OAHLLOKOSA-N 1 2 337.261 3.180 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)CC2CCC2)C1 ZINC001034140882 1342266835 /nfs/dbraw/zinc/26/68/35/1342266835.db2.gz BZZSYBVPIJXQFV-AWEZNQCLSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)CC2CCC2)C1 ZINC001034140882 1342266840 /nfs/dbraw/zinc/26/68/40/1342266840.db2.gz BZZSYBVPIJXQFV-AWEZNQCLSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001034202072 1342312764 /nfs/dbraw/zinc/31/27/64/1342312764.db2.gz QIZUNMWJSXTRFI-CQSZACIVSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001034202072 1342312770 /nfs/dbraw/zinc/31/27/70/1342312770.db2.gz QIZUNMWJSXTRFI-CQSZACIVSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001034351843 1342421487 /nfs/dbraw/zinc/42/14/87/1342421487.db2.gz UNCVPAGZRXLIEQ-GDBMZVCRSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001034351843 1342421490 /nfs/dbraw/zinc/42/14/90/1342421490.db2.gz UNCVPAGZRXLIEQ-GDBMZVCRSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3c(c2)COC3)C1 ZINC001034436851 1342499211 /nfs/dbraw/zinc/49/92/11/1342499211.db2.gz UUHOQYHIOCYZPN-QGZVFWFLSA-N 1 2 334.847 3.054 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc3c(c2)COC3)C1 ZINC001034436851 1342499215 /nfs/dbraw/zinc/49/92/15/1342499215.db2.gz UUHOQYHIOCYZPN-QGZVFWFLSA-N 1 2 334.847 3.054 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC001034532926 1342588273 /nfs/dbraw/zinc/58/82/73/1342588273.db2.gz RAYSFGMDLDAHFX-ZDUSSCGKSA-N 1 2 327.881 3.097 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC001034532926 1342588275 /nfs/dbraw/zinc/58/82/75/1342588275.db2.gz RAYSFGMDLDAHFX-ZDUSSCGKSA-N 1 2 327.881 3.097 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2Cc3cccc(C)c3O2)C1 ZINC001034563503 1342619172 /nfs/dbraw/zinc/61/91/72/1342619172.db2.gz JVCKHGYUNXGZKD-IRXDYDNUSA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2Cc3cccc(C)c3O2)C1 ZINC001034563503 1342619176 /nfs/dbraw/zinc/61/91/76/1342619176.db2.gz JVCKHGYUNXGZKD-IRXDYDNUSA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]1C(F)F)CC2 ZINC001035720312 1343152024 /nfs/dbraw/zinc/15/20/24/1343152024.db2.gz HNUFNXXKAGZNPC-ZIAGYGMSSA-N 1 2 346.849 3.345 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC2(C[NH+](Cc3ccn(C(C)C)n3)C2)CC1 ZINC001035764318 1343177397 /nfs/dbraw/zinc/17/73/97/1343177397.db2.gz FFKXFKJTFTVXFX-UHFFFAOYSA-N 1 2 344.503 3.101 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001038809316 1344591643 /nfs/dbraw/zinc/59/16/43/1344591643.db2.gz ZOBDKHASDFKRLJ-SQNIBIBYSA-N 1 2 348.874 3.012 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(Cl)cc1 ZINC001038809316 1344591645 /nfs/dbraw/zinc/59/16/45/1344591645.db2.gz ZOBDKHASDFKRLJ-SQNIBIBYSA-N 1 2 348.874 3.012 20 30 EGEDLO Cc1cc(F)ccc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038941572 1344664839 /nfs/dbraw/zinc/66/48/39/1344664839.db2.gz BVNCAOXUSZPQON-SFHVURJKSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cc(F)ccc1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038941572 1344664846 /nfs/dbraw/zinc/66/48/46/1344664846.db2.gz BVNCAOXUSZPQON-SFHVURJKSA-N 1 2 337.398 3.010 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc3ccccc3[nH]2)c1 ZINC001038996582 1344705704 /nfs/dbraw/zinc/70/57/04/1344705704.db2.gz OYRBYFGIUFEHTL-GOSISDBHSA-N 1 2 344.418 3.044 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc3ccccc3[nH]2)c1 ZINC001038996582 1344705706 /nfs/dbraw/zinc/70/57/06/1344705706.db2.gz OYRBYFGIUFEHTL-GOSISDBHSA-N 1 2 344.418 3.044 20 30 EGEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)c1ccc2c(c1)CCC2 ZINC001039004223 1344710775 /nfs/dbraw/zinc/71/07/75/1344710775.db2.gz VRAJIZFOJCGNRS-JOCHJYFZSA-N 1 2 344.458 3.031 20 30 EGEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)c1ccc2c(c1)CCC2 ZINC001039004223 1344710777 /nfs/dbraw/zinc/71/07/77/1344710777.db2.gz VRAJIZFOJCGNRS-JOCHJYFZSA-N 1 2 344.458 3.031 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)C2CCC=CCC2)cc1F ZINC001039020064 1344718678 /nfs/dbraw/zinc/71/86/78/1344718678.db2.gz VXGIIQYIBVBHTJ-GOSISDBHSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)C2CCC=CCC2)cc1F ZINC001039020064 1344718681 /nfs/dbraw/zinc/71/86/81/1344718681.db2.gz VXGIIQYIBVBHTJ-GOSISDBHSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)cc(C)n1 ZINC001039398399 1345046014 /nfs/dbraw/zinc/04/60/14/1345046014.db2.gz WGUHHNFCZDALKU-CVEARBPZSA-N 1 2 333.863 3.130 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)cc(C)n1 ZINC001039398399 1345046017 /nfs/dbraw/zinc/04/60/17/1345046017.db2.gz WGUHHNFCZDALKU-CVEARBPZSA-N 1 2 333.863 3.130 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1Cc2ccccc21 ZINC001039427913 1345063666 /nfs/dbraw/zinc/06/36/66/1345063666.db2.gz OWWMQQFBUZADKJ-SOLBZPMBSA-N 1 2 330.859 3.144 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1Cc2ccccc21 ZINC001039427913 1345063667 /nfs/dbraw/zinc/06/36/67/1345063667.db2.gz OWWMQQFBUZADKJ-SOLBZPMBSA-N 1 2 330.859 3.144 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cncnc1C(C)C ZINC001039472317 1345087456 /nfs/dbraw/zinc/08/74/56/1345087456.db2.gz MKZWUJMPZJXDCP-CABCVRRESA-N 1 2 348.878 3.031 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cncnc1C(C)C ZINC001039472317 1345087458 /nfs/dbraw/zinc/08/74/58/1345087458.db2.gz MKZWUJMPZJXDCP-CABCVRRESA-N 1 2 348.878 3.031 20 30 EGEDLO CC(C)=CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001039503270 1345118141 /nfs/dbraw/zinc/11/81/41/1345118141.db2.gz UCLKAGJVORWIBC-GASCZTMLSA-N 1 2 329.469 3.151 20 30 EGEDLO CC(C)=CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001039503270 1345118143 /nfs/dbraw/zinc/11/81/43/1345118143.db2.gz UCLKAGJVORWIBC-GASCZTMLSA-N 1 2 329.469 3.151 20 30 EGEDLO Cc1occc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001039509821 1345122139 /nfs/dbraw/zinc/12/21/39/1345122139.db2.gz HLFCTOLGMSZUHI-KDURUIRLSA-N 1 2 349.434 3.339 20 30 EGEDLO Cc1occc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001039509821 1345122141 /nfs/dbraw/zinc/12/21/41/1345122141.db2.gz HLFCTOLGMSZUHI-KDURUIRLSA-N 1 2 349.434 3.339 20 30 EGEDLO C/C(=C\C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC#Cc1ccccc1)C1CC1 ZINC001039519029 1345126598 /nfs/dbraw/zinc/12/65/98/1345126598.db2.gz UKBKBPFVUAGUKS-PEAPBSDPSA-N 1 2 348.490 3.460 20 30 EGEDLO C/C(=C\C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1)C1CC1 ZINC001039519029 1345126601 /nfs/dbraw/zinc/12/66/01/1345126601.db2.gz UKBKBPFVUAGUKS-PEAPBSDPSA-N 1 2 348.490 3.460 20 30 EGEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@H](C)c1ccccc1F ZINC001039527704 1345130308 /nfs/dbraw/zinc/13/03/08/1345130308.db2.gz ALXZAQDWCOOSDW-FPCVCCKLSA-N 1 2 329.419 3.112 20 30 EGEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@H](C)c1ccccc1F ZINC001039527704 1345130312 /nfs/dbraw/zinc/13/03/12/1345130312.db2.gz ALXZAQDWCOOSDW-FPCVCCKLSA-N 1 2 329.419 3.112 20 30 EGEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(Cl)cc1 ZINC001039531610 1345132506 /nfs/dbraw/zinc/13/25/06/1345132506.db2.gz RVUMBVGVTPCKHJ-RRQGHBQHSA-N 1 2 331.847 3.065 20 30 EGEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)cc1 ZINC001039531610 1345132510 /nfs/dbraw/zinc/13/25/10/1345132510.db2.gz RVUMBVGVTPCKHJ-RRQGHBQHSA-N 1 2 331.847 3.065 20 30 EGEDLO O=C(CC1CCC1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001039538192 1345134356 /nfs/dbraw/zinc/13/43/56/1345134356.db2.gz QTDKXIPSUYYHLZ-OYRHEFFESA-N 1 2 336.479 3.294 20 30 EGEDLO O=C(CC1CCC1)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001039538192 1345134360 /nfs/dbraw/zinc/13/43/60/1345134360.db2.gz QTDKXIPSUYYHLZ-OYRHEFFESA-N 1 2 336.479 3.294 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)c3c(Cl)[nH]nc3C3CC3)C2)C1 ZINC001041351047 1345707642 /nfs/dbraw/zinc/70/76/42/1345707642.db2.gz ZOMLVSRFLJNWAZ-SFHVURJKSA-N 1 2 348.878 3.055 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)c3c(Cl)[nH]nc3C3CC3)C2)C1 ZINC001041351047 1345707645 /nfs/dbraw/zinc/70/76/45/1345707645.db2.gz ZOMLVSRFLJNWAZ-SFHVURJKSA-N 1 2 348.878 3.055 20 30 EGEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](Cc3cccc(CC)c3)C2)cc1 ZINC001043505561 1346184448 /nfs/dbraw/zinc/18/44/48/1346184448.db2.gz WDEATVKHKWPUEX-UHFFFAOYSA-N 1 2 332.447 3.187 20 30 EGEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](Cc3ccc(CF)cc3)C2)cc1 ZINC001043505538 1346184475 /nfs/dbraw/zinc/18/44/75/1346184475.db2.gz UPUXPDBRNOTOJL-UHFFFAOYSA-N 1 2 336.410 3.094 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](CCOc3c(C)cccc3C)C2)C1 ZINC001043796021 1346210318 /nfs/dbraw/zinc/21/03/18/1346210318.db2.gz MYEYSRBEJPVTPW-UHFFFAOYSA-N 1 2 342.483 3.181 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+]([C@H](CC)c2ccc(F)cc2)C1 ZINC001043922913 1346219828 /nfs/dbraw/zinc/21/98/28/1346219828.db2.gz JSMUFFLTOGAQKG-QRVBRYPASA-N 1 2 346.446 3.011 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@@H](C)C2)CC1 ZINC001045576766 1346634182 /nfs/dbraw/zinc/63/41/82/1346634182.db2.gz AUPOFPNYPXXMMX-TZMCWYRMSA-N 1 2 343.309 3.302 20 30 EGEDLO CC[C@H](F)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1C#N ZINC001045827389 1346710634 /nfs/dbraw/zinc/71/06/34/1346710634.db2.gz GQBANZKJWGYNQW-SQNIBIBYSA-N 1 2 347.409 3.011 20 30 EGEDLO CC[C@H](F)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1C#N ZINC001045827389 1346710635 /nfs/dbraw/zinc/71/06/35/1346710635.db2.gz GQBANZKJWGYNQW-SQNIBIBYSA-N 1 2 347.409 3.011 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)C2CCCCC2)C1 ZINC001046105517 1346845063 /nfs/dbraw/zinc/84/50/63/1346845063.db2.gz JMKMNROIOSYAPU-OAHLLOKOSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)C2CCCCC2)C1 ZINC001046105517 1346845067 /nfs/dbraw/zinc/84/50/67/1346845067.db2.gz JMKMNROIOSYAPU-OAHLLOKOSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(C)c(F)cc2F)C1 ZINC001046416634 1346967938 /nfs/dbraw/zinc/96/79/38/1346967938.db2.gz ZMGRISSJBGRLKY-MRXNPFEDSA-N 1 2 328.790 3.220 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C)c(F)cc2F)C1 ZINC001046416634 1346967939 /nfs/dbraw/zinc/96/79/39/1346967939.db2.gz ZMGRISSJBGRLKY-MRXNPFEDSA-N 1 2 328.790 3.220 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc3ccc(OC)cc3[nH]2)C1 ZINC001046532262 1347007069 /nfs/dbraw/zinc/00/70/69/1347007069.db2.gz VZMLZKWBODOLNO-GOSISDBHSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc3ccc(OC)cc3[nH]2)C1 ZINC001046532262 1347007071 /nfs/dbraw/zinc/00/70/71/1347007071.db2.gz VZMLZKWBODOLNO-GOSISDBHSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(Cl)c(F)c2)C1 ZINC001046645812 1347047465 /nfs/dbraw/zinc/04/74/65/1347047465.db2.gz HQXJMWIYEOEDTI-OAHLLOKOSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(Cl)c(F)c2)C1 ZINC001046645812 1347047467 /nfs/dbraw/zinc/04/74/67/1347047467.db2.gz HQXJMWIYEOEDTI-OAHLLOKOSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(F)c(F)cc2F)C1 ZINC001046586323 1347027392 /nfs/dbraw/zinc/02/73/92/1347027392.db2.gz QJOUVUIJVXAMAE-HNNXBMFYSA-N 1 2 332.753 3.051 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(F)c(F)cc2F)C1 ZINC001046586323 1347027394 /nfs/dbraw/zinc/02/73/94/1347027394.db2.gz QJOUVUIJVXAMAE-HNNXBMFYSA-N 1 2 332.753 3.051 20 30 EGEDLO C[C@@]1(NC(=O)[C@H]2CC23CC3)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001046658480 1347053161 /nfs/dbraw/zinc/05/31/61/1347053161.db2.gz ZWIOANARIUKQTR-VQIMIIECSA-N 1 2 342.870 3.072 20 30 EGEDLO C[C@@]1(NC(=O)[C@H]2CC23CC3)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001046658480 1347053163 /nfs/dbraw/zinc/05/31/63/1347053163.db2.gz ZWIOANARIUKQTR-VQIMIIECSA-N 1 2 342.870 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(F)c3ncccc3c2)C1 ZINC001046706667 1347068864 /nfs/dbraw/zinc/06/88/64/1347068864.db2.gz LJJBBSGEUDPFKN-SFHVURJKSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(F)c3ncccc3c2)C1 ZINC001046706667 1347068865 /nfs/dbraw/zinc/06/88/65/1347068865.db2.gz LJJBBSGEUDPFKN-SFHVURJKSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)C2CCC(C(F)F)CC2)C1 ZINC001046812612 1347113792 /nfs/dbraw/zinc/11/37/92/1347113792.db2.gz XYMDUIZAZLJQBG-SEEARECTSA-N 1 2 334.838 3.391 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)C2CCC(C(F)F)CC2)C1 ZINC001046812612 1347113793 /nfs/dbraw/zinc/11/37/93/1347113793.db2.gz XYMDUIZAZLJQBG-SEEARECTSA-N 1 2 334.838 3.391 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(OCC3CC3)cc2)C1 ZINC001046847863 1347128987 /nfs/dbraw/zinc/12/89/87/1347128987.db2.gz IQVXWKITLBKORG-LJQANCHMSA-N 1 2 348.874 3.422 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(OCC3CC3)cc2)C1 ZINC001046847863 1347128989 /nfs/dbraw/zinc/12/89/89/1347128989.db2.gz IQVXWKITLBKORG-LJQANCHMSA-N 1 2 348.874 3.422 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001046868913 1347139377 /nfs/dbraw/zinc/13/93/77/1347139377.db2.gz JCFVTHXCDFGBPV-LZLYRXPVSA-N 1 2 336.838 3.262 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001046868913 1347139380 /nfs/dbraw/zinc/13/93/80/1347139380.db2.gz JCFVTHXCDFGBPV-LZLYRXPVSA-N 1 2 336.838 3.262 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c(F)ccc3ccncc32)C1 ZINC001079737681 1357362314 /nfs/dbraw/zinc/36/23/14/1357362314.db2.gz XPQPIDKBMXSVDZ-BDJLRTHQSA-N 1 2 347.821 3.177 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c(F)ccc3ccncc32)C1 ZINC001079737681 1357362320 /nfs/dbraw/zinc/36/23/20/1357362320.db2.gz XPQPIDKBMXSVDZ-BDJLRTHQSA-N 1 2 347.821 3.177 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CCCC1 ZINC001049279699 1347767155 /nfs/dbraw/zinc/76/71/55/1347767155.db2.gz JTARPKCFBBHOQQ-LSDHHAIUSA-N 1 2 341.293 3.151 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CCCC1 ZINC001049279699 1347767158 /nfs/dbraw/zinc/76/71/58/1347767158.db2.gz JTARPKCFBBHOQQ-LSDHHAIUSA-N 1 2 341.293 3.151 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)C1CC1 ZINC001049404505 1347827198 /nfs/dbraw/zinc/82/71/98/1347827198.db2.gz RTRGDYYMCDPMLW-BPLDGKMQSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)C1CC1 ZINC001049404505 1347827201 /nfs/dbraw/zinc/82/72/01/1347827201.db2.gz RTRGDYYMCDPMLW-BPLDGKMQSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cc(C)on1 ZINC001049693878 1347976335 /nfs/dbraw/zinc/97/63/35/1347976335.db2.gz POOVVXZLASSUNS-YQVWRLOYSA-N 1 2 331.460 3.151 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1cc(C)on1 ZINC001049693878 1347976338 /nfs/dbraw/zinc/97/63/38/1347976338.db2.gz POOVVXZLASSUNS-YQVWRLOYSA-N 1 2 331.460 3.151 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(CCC)on1 ZINC001049822238 1348039395 /nfs/dbraw/zinc/03/93/95/1348039395.db2.gz LTVSJGIWVYOISX-JKSUJKDBSA-N 1 2 337.851 3.059 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(CCC)on1 ZINC001049822238 1348039396 /nfs/dbraw/zinc/03/93/96/1348039396.db2.gz LTVSJGIWVYOISX-JKSUJKDBSA-N 1 2 337.851 3.059 20 30 EGEDLO C[C@H]1C[C@@H]1C(=O)NCc1ccccc1C[N@H+](C)Cc1ccccc1C#N ZINC001050242086 1348215319 /nfs/dbraw/zinc/21/53/19/1348215319.db2.gz NLAAQVAKNVIOSU-KKSFZXQISA-N 1 2 347.462 3.462 20 30 EGEDLO C[C@H]1C[C@@H]1C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccccc1C#N ZINC001050242086 1348215323 /nfs/dbraw/zinc/21/53/23/1348215323.db2.gz NLAAQVAKNVIOSU-KKSFZXQISA-N 1 2 347.462 3.462 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1coc2ccc(CC)cc21 ZINC001050920039 1348373308 /nfs/dbraw/zinc/37/33/08/1348373308.db2.gz VQFBBRHCBHYJTM-MRXNPFEDSA-N 1 2 342.439 3.002 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1coc2ccc(CC)cc21 ZINC001050920039 1348373310 /nfs/dbraw/zinc/37/33/10/1348373310.db2.gz VQFBBRHCBHYJTM-MRXNPFEDSA-N 1 2 342.439 3.002 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C)c(CC)s1 ZINC001051241167 1348408323 /nfs/dbraw/zinc/40/83/23/1348408323.db2.gz SYBKRKPSGVDTLS-OAHLLOKOSA-N 1 2 336.501 3.016 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(C)c(CC)s1 ZINC001051241167 1348408325 /nfs/dbraw/zinc/40/83/25/1348408325.db2.gz SYBKRKPSGVDTLS-OAHLLOKOSA-N 1 2 336.501 3.016 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)c3nccs3)cccc2C1 ZINC001051306140 1348427636 /nfs/dbraw/zinc/42/76/36/1348427636.db2.gz MJFJOSYPSCKZFQ-UHFFFAOYSA-N 1 2 347.871 3.184 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)c3nccs3)cccc2C1 ZINC001051306140 1348427638 /nfs/dbraw/zinc/42/76/38/1348427638.db2.gz MJFJOSYPSCKZFQ-UHFFFAOYSA-N 1 2 347.871 3.184 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+]([C@@H](C)c3noc(C)n3)CC2)CC1 ZINC001052681936 1348628504 /nfs/dbraw/zinc/62/85/04/1348628504.db2.gz KBJMXAXEHYLWMC-WMLDXEAASA-N 1 2 346.475 3.156 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)c3noc(C)n3)CC2)CC1 ZINC001052681936 1348628507 /nfs/dbraw/zinc/62/85/07/1348628507.db2.gz KBJMXAXEHYLWMC-WMLDXEAASA-N 1 2 346.475 3.156 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCOC3(C[NH+]([C@H](C)c4ccccc4)C3)C2)C1 ZINC001053417826 1349026742 /nfs/dbraw/zinc/02/67/42/1349026742.db2.gz FTAYVYXGUFOBGS-QGZVFWFLSA-N 1 2 340.467 3.017 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc3occc3s1)O2 ZINC001053659068 1349088082 /nfs/dbraw/zinc/08/80/82/1349088082.db2.gz KWDDTPRCLHDVHL-CYBMUJFWSA-N 1 2 346.452 3.034 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C(C)(C)C)oc1C)O2 ZINC001053669322 1349090358 /nfs/dbraw/zinc/09/03/58/1349090358.db2.gz WCCFMNFYZORGKC-OAHLLOKOSA-N 1 2 346.471 3.035 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(Cl)ccc1C)O2 ZINC001053677625 1349090871 /nfs/dbraw/zinc/09/08/71/1349090871.db2.gz DUDMNYNEJBHUJA-MRXNPFEDSA-N 1 2 348.874 3.188 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)C1CCC(C)(C)CC1)O2 ZINC001053702319 1349099437 /nfs/dbraw/zinc/09/94/37/1349099437.db2.gz UPXAFERGIHPBSK-QGZVFWFLSA-N 1 2 334.504 3.129 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc4c(o3)CCCC4)cc2C1 ZINC001054268764 1349266548 /nfs/dbraw/zinc/26/65/48/1349266548.db2.gz WVEKYFMMBBWOIY-UHFFFAOYSA-N 1 2 334.419 3.037 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc4c(o3)CCCC4)cc2C1 ZINC001054268764 1349266551 /nfs/dbraw/zinc/26/65/51/1349266551.db2.gz WVEKYFMMBBWOIY-UHFFFAOYSA-N 1 2 334.419 3.037 20 30 EGEDLO CC#CC[N@@H+]1Cc2ccc(CNC(=O)c3c(C)cc(C)nc3C)cc2C1 ZINC001054275482 1349276354 /nfs/dbraw/zinc/27/63/54/1349276354.db2.gz SHYAIEXUXAXQGV-UHFFFAOYSA-N 1 2 347.462 3.276 20 30 EGEDLO CC#CC[N@H+]1Cc2ccc(CNC(=O)c3c(C)cc(C)nc3C)cc2C1 ZINC001054275482 1349276356 /nfs/dbraw/zinc/27/63/56/1349276356.db2.gz SHYAIEXUXAXQGV-UHFFFAOYSA-N 1 2 347.462 3.276 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3nccc4ccccc43)cc2C1 ZINC001054278815 1349279580 /nfs/dbraw/zinc/27/95/80/1349279580.db2.gz OQPOHRZVMPPGJD-UHFFFAOYSA-N 1 2 341.414 3.114 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3nccc4ccccc43)cc2C1 ZINC001054278815 1349279582 /nfs/dbraw/zinc/27/95/82/1349279582.db2.gz OQPOHRZVMPPGJD-UHFFFAOYSA-N 1 2 341.414 3.114 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001080242170 1357534909 /nfs/dbraw/zinc/53/49/09/1357534909.db2.gz MHMGCQCWUOJVJZ-SJKOYZFVSA-N 1 2 331.847 3.279 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001080242170 1357534911 /nfs/dbraw/zinc/53/49/11/1357534911.db2.gz MHMGCQCWUOJVJZ-SJKOYZFVSA-N 1 2 331.847 3.279 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001061244220 1351326810 /nfs/dbraw/zinc/32/68/10/1351326810.db2.gz JOLJBMDILGPLBL-KRWDZBQOSA-N 1 2 344.503 3.431 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC([C@H](C)Nc2cc[nH+]c(C)n2)CC1 ZINC001061871714 1351385704 /nfs/dbraw/zinc/38/57/04/1351385704.db2.gz QBAHDEUOMWBUMK-AWEZNQCLSA-N 1 2 330.476 3.426 20 30 EGEDLO C=CCCC(=O)N1CCCC[C@@H]1CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001062058147 1351436183 /nfs/dbraw/zinc/43/61/83/1351436183.db2.gz LCPJMNRAEGOLRP-QGZVFWFLSA-N 1 2 343.471 3.084 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ncc(C4CC4)o3)C[C@H]2C)CC1 ZINC001080383468 1357597774 /nfs/dbraw/zinc/59/77/74/1357597774.db2.gz FVRNGYVBYIFBNN-RHSMWYFYSA-N 1 2 343.471 3.235 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ncc(C4CC4)o3)C[C@H]2C)CC1 ZINC001080383468 1357597778 /nfs/dbraw/zinc/59/77/78/1357597778.db2.gz FVRNGYVBYIFBNN-RHSMWYFYSA-N 1 2 343.471 3.235 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H](Nc3cc[nH+]c(C)n3)C[C@@H]2C)CC1 ZINC001064822770 1352702141 /nfs/dbraw/zinc/70/21/41/1352702141.db2.gz JFTVPOJQLIFICR-YOEHRIQHSA-N 1 2 328.460 3.323 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001066351571 1353058182 /nfs/dbraw/zinc/05/81/82/1353058182.db2.gz YPWPSCZYDWZHCZ-AWEZNQCLSA-N 1 2 336.867 3.214 20 30 EGEDLO CCC1(Nc2cc(C)[nH+]c(C3CC3)n2)CCN(C(=O)[C@H](C)C#N)CC1 ZINC001066821857 1353235028 /nfs/dbraw/zinc/23/50/28/1353235028.db2.gz YLTUVMGHCBJZHG-CYBMUJFWSA-N 1 2 341.459 3.005 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H](C)[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001067180779 1353330237 /nfs/dbraw/zinc/33/02/37/1353330237.db2.gz JPAOTCVLYWLLHC-SWLSCSKDSA-N 1 2 328.460 3.133 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001067793267 1353526265 /nfs/dbraw/zinc/52/62/65/1353526265.db2.gz IWKFEBGKFRTCRV-FXAWDEMLSA-N 1 2 344.503 3.431 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CCC[C@H]3CCC)c2C1 ZINC001069864872 1354290627 /nfs/dbraw/zinc/29/06/27/1354290627.db2.gz KUXLSFQYYMSBOK-AEFFLSMTSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CCC[C@H]3CCC)c2C1 ZINC001069864872 1354290630 /nfs/dbraw/zinc/29/06/30/1354290630.db2.gz KUXLSFQYYMSBOK-AEFFLSMTSA-N 1 2 344.503 3.107 20 30 EGEDLO C=C(C)CC[N@@H+]1Cc2cnn(C3CCN(C(=O)C(C)(C)C)CC3)c2C1 ZINC001070350197 1354327669 /nfs/dbraw/zinc/32/76/69/1354327669.db2.gz RUVKNOCQJINHON-UHFFFAOYSA-N 1 2 344.503 3.375 20 30 EGEDLO C=C(C)CC[N@H+]1Cc2cnn(C3CCN(C(=O)C(C)(C)C)CC3)c2C1 ZINC001070350197 1354327675 /nfs/dbraw/zinc/32/76/75/1354327675.db2.gz RUVKNOCQJINHON-UHFFFAOYSA-N 1 2 344.503 3.375 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)C1CCCCC1)C[C@@H](C)O2 ZINC001071131219 1354469346 /nfs/dbraw/zinc/46/93/46/1354469346.db2.gz BXPBJQHOCARHGE-CRAIPNDOSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1CCCCC1)C[C@@H](C)O2 ZINC001071131219 1354469347 /nfs/dbraw/zinc/46/93/47/1354469347.db2.gz BXPBJQHOCARHGE-CRAIPNDOSA-N 1 2 340.895 3.011 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)c2ccco2)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001071312032 1354571234 /nfs/dbraw/zinc/57/12/34/1354571234.db2.gz FJPNPCIXWZZXSA-CJNGLKHVSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)c2ccco2)C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001071312032 1354571239 /nfs/dbraw/zinc/57/12/39/1354571239.db2.gz FJPNPCIXWZZXSA-CJNGLKHVSA-N 1 2 341.386 3.073 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)C2CCCCC2)CC[C@@H]1C ZINC001071312082 1354571278 /nfs/dbraw/zinc/57/12/78/1354571278.db2.gz GJCITIHNDWDJSN-ZFWWWQNUSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)C2CCCCC2)CC[C@@H]1C ZINC001071312082 1354571281 /nfs/dbraw/zinc/57/12/81/1354571281.db2.gz GJCITIHNDWDJSN-ZFWWWQNUSA-N 1 2 343.309 3.444 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)c2ccccc2O)C[N@@H+]1Cc1ccccc1C#N ZINC001071356275 1354625205 /nfs/dbraw/zinc/62/52/05/1354625205.db2.gz JRSJJJHHSIQRMP-CRAIPNDOSA-N 1 2 349.434 3.047 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)c2ccccc2O)C[N@H+]1Cc1ccccc1C#N ZINC001071356275 1354625215 /nfs/dbraw/zinc/62/52/15/1354625215.db2.gz JRSJJJHHSIQRMP-CRAIPNDOSA-N 1 2 349.434 3.047 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C2CC=CC2)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC001071405111 1354668612 /nfs/dbraw/zinc/66/86/12/1354668612.db2.gz YVDZFNZVORKSLQ-KBXCAEBGSA-N 1 2 341.430 3.133 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C2CC=CC2)C[N@H+]1Cc1cc(C#N)ccc1F ZINC001071405111 1354668614 /nfs/dbraw/zinc/66/86/14/1354668614.db2.gz YVDZFNZVORKSLQ-KBXCAEBGSA-N 1 2 341.430 3.133 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3ccc(C)cc3[nH]2)[C@H]1C ZINC001088778048 1360040825 /nfs/dbraw/zinc/04/08/25/1360040825.db2.gz HQBUIOGDBLBSGZ-HIFRSBDPSA-N 1 2 331.847 3.421 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3ccc(C)cc3[nH]2)[C@H]1C ZINC001088778048 1360040826 /nfs/dbraw/zinc/04/08/26/1360040826.db2.gz HQBUIOGDBLBSGZ-HIFRSBDPSA-N 1 2 331.847 3.421 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C2(F)CCCC2)C[N@@H+]1Cc1ccccc1C#N ZINC001071625125 1354808112 /nfs/dbraw/zinc/80/81/12/1354808112.db2.gz MRTPDXMXLGKPKV-CRAIPNDOSA-N 1 2 343.446 3.310 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C2(F)CCCC2)C[N@H+]1Cc1ccccc1C#N ZINC001071625125 1354808115 /nfs/dbraw/zinc/80/81/15/1354808115.db2.gz MRTPDXMXLGKPKV-CRAIPNDOSA-N 1 2 343.446 3.310 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc(C(C)(C)C)on2)CC[C@@H]1C ZINC001071679562 1354846989 /nfs/dbraw/zinc/84/69/89/1354846989.db2.gz NMMLNFGRJUVWCA-STQMWFEESA-N 1 2 339.867 3.307 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc(C(C)(C)C)on2)CC[C@@H]1C ZINC001071679562 1354846994 /nfs/dbraw/zinc/84/69/94/1354846994.db2.gz NMMLNFGRJUVWCA-STQMWFEESA-N 1 2 339.867 3.307 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2c(F)cccc2F)CC[C@@H]1C ZINC001071772597 1354918782 /nfs/dbraw/zinc/91/87/82/1354918782.db2.gz NEXSHJNQDUMQGS-QWHCGFSZSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2c(F)cccc2F)CC[C@@H]1C ZINC001071772597 1354918788 /nfs/dbraw/zinc/91/87/88/1354918788.db2.gz NEXSHJNQDUMQGS-QWHCGFSZSA-N 1 2 342.817 3.229 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc(F)cc(F)c2)CC[C@H]1C ZINC001072050969 1355104497 /nfs/dbraw/zinc/10/44/97/1355104497.db2.gz DRLJHUIAQMDRNO-IAQYHMDHSA-N 1 2 328.790 3.300 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc(F)cc(F)c2)CC[C@H]1C ZINC001072050969 1355104499 /nfs/dbraw/zinc/10/44/99/1355104499.db2.gz DRLJHUIAQMDRNO-IAQYHMDHSA-N 1 2 328.790 3.300 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]21 ZINC001093262924 1361555390 /nfs/dbraw/zinc/55/53/90/1361555390.db2.gz IETYIIVEAPEXBB-MNZLEMJZSA-N 1 2 330.476 3.086 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)C(C)(CC)CC)C2)C1 ZINC001073441585 1355780183 /nfs/dbraw/zinc/78/01/83/1355780183.db2.gz OYWTUGDITKHDKQ-UHFFFAOYSA-N 1 2 343.309 3.256 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)C(C)(CC)CC)C2)C1 ZINC001073441585 1355780185 /nfs/dbraw/zinc/78/01/85/1355780185.db2.gz OYWTUGDITKHDKQ-UHFFFAOYSA-N 1 2 343.309 3.256 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001073904816 1355948584 /nfs/dbraw/zinc/94/85/84/1355948584.db2.gz OCEXYZYPCXJUSM-GPANFISMSA-N 1 2 342.911 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001073904816 1355948588 /nfs/dbraw/zinc/94/85/88/1355948588.db2.gz OCEXYZYPCXJUSM-GPANFISMSA-N 1 2 342.911 3.018 20 30 EGEDLO CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC001073928914 1355964163 /nfs/dbraw/zinc/96/41/63/1355964163.db2.gz YVQWHTCWGXCVCY-GOSISDBHSA-N 1 2 331.435 3.310 20 30 EGEDLO CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001073928914 1355964165 /nfs/dbraw/zinc/96/41/65/1355964165.db2.gz YVQWHTCWGXCVCY-GOSISDBHSA-N 1 2 331.435 3.310 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCC[N@@H+](Cc3ccc(C)cc3)[C@H]2C1 ZINC001074314601 1356164898 /nfs/dbraw/zinc/16/48/98/1356164898.db2.gz ILJXKKQRQCRQRA-OALUTQOASA-N 1 2 342.483 3.009 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCC[N@H+](Cc3ccc(C)cc3)[C@H]2C1 ZINC001074314601 1356164902 /nfs/dbraw/zinc/16/49/02/1356164902.db2.gz ILJXKKQRQCRQRA-OALUTQOASA-N 1 2 342.483 3.009 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(Cl)cc3C)C[C@H]21 ZINC001074332068 1356172511 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FETMULVFZAQAMY-VJANTYMQSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4occc4c3)[C@@H]2C1 ZINC001075823269 1356428730 /nfs/dbraw/zinc/42/87/30/1356428730.db2.gz DAHPYSGEHXUZKG-JKSUJKDBSA-N 1 2 330.815 3.332 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4occc4c3)[C@@H]2C1 ZINC001075823269 1356428732 /nfs/dbraw/zinc/42/87/32/1356428732.db2.gz DAHPYSGEHXUZKG-JKSUJKDBSA-N 1 2 330.815 3.332 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4nc(C)oc4c3)[C@@H]2C1 ZINC001075910604 1356444444 /nfs/dbraw/zinc/44/44/44/1356444444.db2.gz CIQIQJZYBPIFAG-GOEBONIOSA-N 1 2 345.830 3.035 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4nc(C)oc4c3)[C@@H]2C1 ZINC001075910604 1356444446 /nfs/dbraw/zinc/44/44/46/1356444446.db2.gz CIQIQJZYBPIFAG-GOEBONIOSA-N 1 2 345.830 3.035 20 30 EGEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC=C(Cl)Cl)C[C@H]32)cc1 ZINC001076119157 1356495266 /nfs/dbraw/zinc/49/52/66/1356495266.db2.gz BRJDLOHQHAQHFR-JKSUJKDBSA-N 1 2 349.261 3.133 20 30 EGEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CC=C(Cl)Cl)C[C@H]32)cc1 ZINC001076119157 1356495268 /nfs/dbraw/zinc/49/52/68/1356495268.db2.gz BRJDLOHQHAQHFR-JKSUJKDBSA-N 1 2 349.261 3.133 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3c1CCC3)C2 ZINC001098485319 1363340270 /nfs/dbraw/zinc/34/02/70/1363340270.db2.gz CNFGMVFGZIZZJZ-OLMNPRSZSA-N 1 2 330.859 3.263 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3c1CCC3)C2 ZINC001098485319 1363340273 /nfs/dbraw/zinc/34/02/73/1363340273.db2.gz CNFGMVFGZIZZJZ-OLMNPRSZSA-N 1 2 330.859 3.263 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)nc3ccccc32)C1 ZINC001080890270 1357759825 /nfs/dbraw/zinc/75/98/25/1357759825.db2.gz DJSVFXSPRQXENL-KZULUSFZSA-N 1 2 343.858 3.346 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)nc3ccccc32)C1 ZINC001080890270 1357759831 /nfs/dbraw/zinc/75/98/31/1357759831.db2.gz DJSVFXSPRQXENL-KZULUSFZSA-N 1 2 343.858 3.346 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]2OC)C1 ZINC001082110975 1357949634 /nfs/dbraw/zinc/94/96/34/1357949634.db2.gz OSDHCHVCCNHGOM-IAGOWNOFSA-N 1 2 348.874 3.012 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@H]2OC)C1 ZINC001082110975 1357949636 /nfs/dbraw/zinc/94/96/36/1357949636.db2.gz OSDHCHVCCNHGOM-IAGOWNOFSA-N 1 2 348.874 3.012 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3ccc(C)cc3)[C@@H]2C1 ZINC001084503653 1358226817 /nfs/dbraw/zinc/22/68/17/1358226817.db2.gz LBUNYILHOKXLFM-QZTJIDSGSA-N 1 2 332.875 3.213 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3ccc(C)cc3)[C@@H]2C1 ZINC001084503653 1358226819 /nfs/dbraw/zinc/22/68/19/1358226819.db2.gz LBUNYILHOKXLFM-QZTJIDSGSA-N 1 2 332.875 3.213 20 30 EGEDLO CC(C)(C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21)C1CC1 ZINC001084595298 1358251655 /nfs/dbraw/zinc/25/16/55/1358251655.db2.gz QJMMASCOGIGJFH-IEBWSBKVSA-N 1 2 337.467 3.027 20 30 EGEDLO CC(C)(C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21)C1CC1 ZINC001084595298 1358251658 /nfs/dbraw/zinc/25/16/58/1358251658.db2.gz QJMMASCOGIGJFH-IEBWSBKVSA-N 1 2 337.467 3.027 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH]ccc43)[C@@H]2C1 ZINC001084678187 1358276302 /nfs/dbraw/zinc/27/63/02/1358276302.db2.gz BEEDBDSCJCWWOR-CXAGYDPISA-N 1 2 329.831 3.067 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH]ccc43)[C@@H]2C1 ZINC001084678187 1358276306 /nfs/dbraw/zinc/27/63/06/1358276306.db2.gz BEEDBDSCJCWWOR-CXAGYDPISA-N 1 2 329.831 3.067 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](c3cccnc3)C(C)C)[C@@H]2C1 ZINC001084740398 1358297537 /nfs/dbraw/zinc/29/75/37/1358297537.db2.gz INSKPYXXOHUGNR-KURKYZTESA-N 1 2 347.890 3.106 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](c3cccnc3)C(C)C)[C@@H]2C1 ZINC001084740398 1358297541 /nfs/dbraw/zinc/29/75/41/1358297541.db2.gz INSKPYXXOHUGNR-KURKYZTESA-N 1 2 347.890 3.106 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)c3cccc(F)c3)[C@@H]2C1 ZINC001084842463 1358325948 /nfs/dbraw/zinc/32/59/48/1358325948.db2.gz QGORZBXLABTUBD-FRFSOERESA-N 1 2 336.838 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)c3cccc(F)c3)[C@@H]2C1 ZINC001084842463 1358325951 /nfs/dbraw/zinc/32/59/51/1358325951.db2.gz QGORZBXLABTUBD-FRFSOERESA-N 1 2 336.838 3.214 20 30 EGEDLO C=C[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=C)Cl)C[C@H]21)c1ccccc1 ZINC001084845960 1358327555 /nfs/dbraw/zinc/32/75/55/1358327555.db2.gz NJJKYPPMWQQWMJ-FGTMMUONSA-N 1 2 330.859 3.241 20 30 EGEDLO C=C[C@H](C(=O)N1C[C@H]2CC[N@H+](CC(=C)Cl)C[C@H]21)c1ccccc1 ZINC001084845960 1358327556 /nfs/dbraw/zinc/32/75/56/1358327556.db2.gz NJJKYPPMWQQWMJ-FGTMMUONSA-N 1 2 330.859 3.241 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)[C@H]1CC=CCC1 ZINC001085478870 1358530692 /nfs/dbraw/zinc/53/06/92/1358530692.db2.gz HFLMSTQNAGCIMN-WMZOPIPTSA-N 1 2 341.430 3.086 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)[C@H]1CC=CCC1 ZINC001085478870 1358530694 /nfs/dbraw/zinc/53/06/94/1358530694.db2.gz HFLMSTQNAGCIMN-WMZOPIPTSA-N 1 2 341.430 3.086 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@H]1CCCC12CC2 ZINC001085667929 1358672910 /nfs/dbraw/zinc/67/29/10/1358672910.db2.gz RITYXOBLTGYFGL-RTBURBONSA-N 1 2 337.467 3.171 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@H]1CCCC12CC2 ZINC001085667929 1358672916 /nfs/dbraw/zinc/67/29/16/1358672916.db2.gz RITYXOBLTGYFGL-RTBURBONSA-N 1 2 337.467 3.171 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)C12CCC(CC1)C2 ZINC001085675463 1358680025 /nfs/dbraw/zinc/68/00/25/1358680025.db2.gz SVYKTJKKUJMDGF-SNCIUUNGSA-N 1 2 336.479 3.151 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)C12CCC(CC1)C2 ZINC001085675463 1358680029 /nfs/dbraw/zinc/68/00/29/1358680029.db2.gz SVYKTJKKUJMDGF-SNCIUUNGSA-N 1 2 336.479 3.151 20 30 EGEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccccc2F)cc1 ZINC001085756629 1358736963 /nfs/dbraw/zinc/73/69/63/1358736963.db2.gz NBDDNSQJGJZCAR-LJQANCHMSA-N 1 2 336.410 3.154 20 30 EGEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccccc2F)cc1 ZINC001085756629 1358736973 /nfs/dbraw/zinc/73/69/73/1358736973.db2.gz NBDDNSQJGJZCAR-LJQANCHMSA-N 1 2 336.410 3.154 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1)C(=O)[C@@H]1CC12CC2 ZINC001085842716 1358810564 /nfs/dbraw/zinc/81/05/64/1358810564.db2.gz WBEMLHIBEPUVEV-ROUUACIJSA-N 1 2 342.870 3.024 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1)C(=O)[C@@H]1CC12CC2 ZINC001085842716 1358810568 /nfs/dbraw/zinc/81/05/68/1358810568.db2.gz WBEMLHIBEPUVEV-ROUUACIJSA-N 1 2 342.870 3.024 20 30 EGEDLO Cc1[nH]c2ccc(C#N)cc2c1CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001183887706 1387367762 /nfs/dbraw/zinc/36/77/62/1387367762.db2.gz VQZVRQYCONPMMS-UHFFFAOYSA-N 1 2 347.422 3.020 20 30 EGEDLO Cc1[nH]c2ccc(C#N)cc2c1CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001183887706 1387367765 /nfs/dbraw/zinc/36/77/65/1387367765.db2.gz VQZVRQYCONPMMS-UHFFFAOYSA-N 1 2 347.422 3.020 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2CCCCC2)[C@H]1CC ZINC001087487792 1359490435 /nfs/dbraw/zinc/49/04/35/1359490435.db2.gz XDTRQTFHBQLIIV-LSDHHAIUSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2CCCCC2)[C@H]1CC ZINC001087487792 1359490437 /nfs/dbraw/zinc/49/04/37/1359490437.db2.gz XDTRQTFHBQLIIV-LSDHHAIUSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3c(o2)CCCC3)[C@H]1CC ZINC001087598445 1359548510 /nfs/dbraw/zinc/54/85/10/1359548510.db2.gz JGEJSRGLHKPXLT-LSDHHAIUSA-N 1 2 336.863 3.494 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3c(o2)CCCC3)[C@H]1CC ZINC001087598445 1359548512 /nfs/dbraw/zinc/54/85/12/1359548512.db2.gz JGEJSRGLHKPXLT-LSDHHAIUSA-N 1 2 336.863 3.494 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCCCC[C@H]([NH2+]Cc2noc(C3CC3)n2)C1 ZINC001088358939 1359842417 /nfs/dbraw/zinc/84/24/17/1359842417.db2.gz NQDWQFKMHRSUAW-HNNXBMFYSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCCCC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001088374203 1359855690 /nfs/dbraw/zinc/85/56/90/1359855690.db2.gz AZEPVNCBSNSOGB-WMLDXEAASA-N 1 2 336.505 3.001 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2cccs2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001088452862 1359918097 /nfs/dbraw/zinc/91/80/97/1359918097.db2.gz IWMQYHZRGCUDPB-PBHICJAKSA-N 1 2 342.439 3.132 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2cccs2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001088452862 1359918099 /nfs/dbraw/zinc/91/80/99/1359918099.db2.gz IWMQYHZRGCUDPB-PBHICJAKSA-N 1 2 342.439 3.132 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(OCCC)c2)[C@H]1C ZINC001088601108 1359988125 /nfs/dbraw/zinc/98/81/25/1359988125.db2.gz IBENUEUBYPFXPR-PBHICJAKSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(OCCC)c2)[C@H]1C ZINC001088601108 1359988133 /nfs/dbraw/zinc/98/81/33/1359988133.db2.gz IBENUEUBYPFXPR-PBHICJAKSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(c3cccc(F)c3)CC2)[C@H]1C ZINC001088896180 1360095867 /nfs/dbraw/zinc/09/58/67/1360095867.db2.gz SFPCRWGUFSYNFL-CJNGLKHVSA-N 1 2 336.838 3.189 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(c3cccc(F)c3)CC2)[C@H]1C ZINC001088896180 1360095870 /nfs/dbraw/zinc/09/58/70/1360095870.db2.gz SFPCRWGUFSYNFL-CJNGLKHVSA-N 1 2 336.838 3.189 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)c2ccc(F)cc2F)[C@H]1C ZINC001089051016 1360147927 /nfs/dbraw/zinc/14/79/27/1360147927.db2.gz YVDBQQWVMFUXAR-HSMVNMDESA-N 1 2 342.817 3.400 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2ccc(F)cc2F)[C@H]1C ZINC001089051016 1360147929 /nfs/dbraw/zinc/14/79/29/1360147929.db2.gz YVDBQQWVMFUXAR-HSMVNMDESA-N 1 2 342.817 3.400 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(c3ccccc3C)CC2)[C@H]1C ZINC001089077150 1360162039 /nfs/dbraw/zinc/16/20/39/1360162039.db2.gz PRIMUMBUJRONGA-WBVHZDCISA-N 1 2 332.875 3.358 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(c3ccccc3C)CC2)[C@H]1C ZINC001089077150 1360162042 /nfs/dbraw/zinc/16/20/42/1360162042.db2.gz PRIMUMBUJRONGA-WBVHZDCISA-N 1 2 332.875 3.358 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(C)nc1 ZINC001089610047 1360532207 /nfs/dbraw/zinc/53/22/07/1360532207.db2.gz OHWFNBSGHZPDNG-INIZCTEOSA-N 1 2 335.879 3.363 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(C)nc1 ZINC001089610047 1360532214 /nfs/dbraw/zinc/53/22/14/1360532214.db2.gz OHWFNBSGHZPDNG-INIZCTEOSA-N 1 2 335.879 3.363 20 30 EGEDLO C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2cn[nH]c21 ZINC001089641627 1360554428 /nfs/dbraw/zinc/55/44/28/1360554428.db2.gz PIXWROWMMNOUET-DLBZAZTESA-N 1 2 344.503 3.013 20 30 EGEDLO C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2cn[nH]c21 ZINC001089641627 1360554430 /nfs/dbraw/zinc/55/44/30/1360554430.db2.gz PIXWROWMMNOUET-DLBZAZTESA-N 1 2 344.503 3.013 20 30 EGEDLO CCN(c1cc(C)[nH+]c(C(C)C)n1)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001089645484 1360557775 /nfs/dbraw/zinc/55/77/75/1360557775.db2.gz ZMUBLUMZUQWUAJ-MRXNPFEDSA-N 1 2 344.503 3.289 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)[C@@H]1C ZINC001090242326 1360871885 /nfs/dbraw/zinc/87/18/85/1360871885.db2.gz GSVYKBSYHBRWMJ-YOEHRIQHSA-N 1 2 342.487 3.421 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H](CNc3cc[nH+]c(C)n3)[C@H](C)C2)CCC1 ZINC001090280361 1360885897 /nfs/dbraw/zinc/88/58/97/1360885897.db2.gz JVICBJOPWZDOTN-WBVHZDCISA-N 1 2 342.487 3.428 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@H]21 ZINC001090351417 1360894597 /nfs/dbraw/zinc/89/45/97/1360894597.db2.gz GSCLOFNEPGTVAU-DLBZAZTESA-N 1 2 342.487 3.302 20 30 EGEDLO Cc1cc(NCCCCCCN(C)C(=O)[C@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001091733243 1361198634 /nfs/dbraw/zinc/19/86/34/1361198634.db2.gz FJNSUPVICAZEHH-OAHLLOKOSA-N 1 2 345.491 3.499 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(C(C)C)n1 ZINC001093040307 1361514316 /nfs/dbraw/zinc/51/43/16/1361514316.db2.gz JXSIBTNOQXFVAY-ZACQAIPSSA-N 1 2 342.487 3.491 20 30 EGEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(CNc2cc[nH+]c(C)n2)C1 ZINC001093129520 1361536173 /nfs/dbraw/zinc/53/61/73/1361536173.db2.gz AHDMOPMDKNXKTG-JXFKEZNVSA-N 1 2 342.487 3.428 20 30 EGEDLO Cc1cc(NC2(CNC(=O)[C@H](C)C#N)CCCCC2)nc(C2CC2)[nH+]1 ZINC001093389087 1361598951 /nfs/dbraw/zinc/59/89/51/1361598951.db2.gz XZVWGKCQRWUGHM-CYBMUJFWSA-N 1 2 341.459 3.053 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC001093593307 1361651896 /nfs/dbraw/zinc/65/18/96/1361651896.db2.gz CRIKZQDFIYPKQL-UHFFFAOYSA-N 1 2 348.874 3.222 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C3(CC)CCCCC3)CC2)C1 ZINC001093599272 1361653523 /nfs/dbraw/zinc/65/35/23/1361653523.db2.gz VRCBGYCGTWUDFM-UHFFFAOYSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC001093600152 1361654406 /nfs/dbraw/zinc/65/44/06/1361654406.db2.gz OQWYDWSZUGPFBO-ROUUACIJSA-N 1 2 348.531 3.471 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001095062985 1362001685 /nfs/dbraw/zinc/00/16/85/1362001685.db2.gz JZDWZWSMKZIBLE-OAHLLOKOSA-N 1 2 342.487 3.279 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)o1 ZINC001095269200 1362076846 /nfs/dbraw/zinc/07/68/46/1362076846.db2.gz KROVTXROPMSYBF-AABGKKOBSA-N 1 2 348.446 3.283 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)o1 ZINC001095269200 1362076849 /nfs/dbraw/zinc/07/68/49/1362076849.db2.gz KROVTXROPMSYBF-AABGKKOBSA-N 1 2 348.446 3.283 20 30 EGEDLO C#CCCCC(=O)N1CCC[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001095296190 1362087902 /nfs/dbraw/zinc/08/79/02/1362087902.db2.gz SSSZYHOJZSTVPM-MRXNPFEDSA-N 1 2 328.460 3.115 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(c3ccc(F)cc3)CC1)C2 ZINC001095501578 1362158009 /nfs/dbraw/zinc/15/80/09/1362158009.db2.gz PBQVUDOOXUWURS-IKGGRYGDSA-N 1 2 348.849 3.331 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(c3ccc(F)cc3)CC1)C2 ZINC001095501578 1362158010 /nfs/dbraw/zinc/15/80/10/1362158010.db2.gz PBQVUDOOXUWURS-IKGGRYGDSA-N 1 2 348.849 3.331 20 30 EGEDLO CC(C)c1cc(N(C)CCCNC(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001095548760 1362166720 /nfs/dbraw/zinc/16/67/20/1362166720.db2.gz RVZCHBCABZCASS-UHFFFAOYSA-N 1 2 342.487 3.079 20 30 EGEDLO Cc1nc(N[C@H](C)[C@H]2CCCCN2C(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001095798582 1362233195 /nfs/dbraw/zinc/23/31/95/1362233195.db2.gz XVVCXEVVKGLTDU-GDBMZVCRSA-N 1 2 328.460 3.016 20 30 EGEDLO CCN(CCCNC(=O)[C@H](C)C#N)c1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001095848617 1362254087 /nfs/dbraw/zinc/25/40/87/1362254087.db2.gz XKOFUWTZWIJALH-OAHLLOKOSA-N 1 2 345.491 3.216 20 30 EGEDLO C=CC1(CC(=O)N[C@H]2CCCN(c3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001096190689 1362422720 /nfs/dbraw/zinc/42/27/20/1362422720.db2.gz ZCYNDAKCMQUNII-KRWDZBQOSA-N 1 2 342.487 3.397 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001096220014 1362437731 /nfs/dbraw/zinc/43/77/31/1362437731.db2.gz BZGKCWDHHAGBTF-GUYCJALGSA-N 1 2 330.476 3.089 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC001096354043 1362472238 /nfs/dbraw/zinc/47/22/38/1362472238.db2.gz XUOXZSZKSPFKDJ-OAHLLOKOSA-N 1 2 330.476 3.385 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH]c3ccccc13)C2 ZINC001096410417 1362495696 /nfs/dbraw/zinc/49/56/96/1362495696.db2.gz OQFKRMRPEFMDRG-JLSDUUJJSA-N 1 2 343.858 3.184 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH]c3ccccc13)C2 ZINC001096410417 1362495697 /nfs/dbraw/zinc/49/56/97/1362495697.db2.gz OQFKRMRPEFMDRG-JLSDUUJJSA-N 1 2 343.858 3.184 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC12CCN(c1cc(C)[nH+]c(C(C)C)n1)CC2 ZINC001096515385 1362546171 /nfs/dbraw/zinc/54/61/71/1362546171.db2.gz PMDPEEWXQSNFLF-MRXNPFEDSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CC23CCN(c2cc[nH+]c(C)n2)CC3)CC1 ZINC001096533219 1362560277 /nfs/dbraw/zinc/56/02/77/1362560277.db2.gz HBGOQUVORGBHOW-MRXNPFEDSA-N 1 2 340.471 3.007 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)c1cccc(OC)c1)C2 ZINC001096616274 1362598370 /nfs/dbraw/zinc/59/83/70/1362598370.db2.gz UNAVLBYIHGPJLR-WCZJQEMASA-N 1 2 348.874 3.273 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)c1cccc(OC)c1)C2 ZINC001096616274 1362598371 /nfs/dbraw/zinc/59/83/71/1362598371.db2.gz UNAVLBYIHGPJLR-WCZJQEMASA-N 1 2 348.874 3.273 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H](Nc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001096783996 1362706379 /nfs/dbraw/zinc/70/63/79/1362706379.db2.gz SCQINQLMURXWIE-OAHLLOKOSA-N 1 2 330.476 3.427 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@H](CN(C)c2cc[nH+]c(C)n2)C1 ZINC001096878543 1362764944 /nfs/dbraw/zinc/76/49/44/1362764944.db2.gz NJWQWVIUUOANQC-MRXNPFEDSA-N 1 2 330.476 3.062 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097067183 1362831573 /nfs/dbraw/zinc/83/15/73/1362831573.db2.gz GPIQYAKPQHGZJL-QAQDUYKDSA-N 1 2 340.471 3.490 20 30 EGEDLO C=CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cc(CC)[nH+]c(C)n1 ZINC001097131852 1362857124 /nfs/dbraw/zinc/85/71/24/1362857124.db2.gz IIDSXUZJXQKVTR-AYHJJNSGSA-N 1 2 342.487 3.320 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097337487 1362940206 /nfs/dbraw/zinc/94/02/06/1362940206.db2.gz JHYBWZCQSRPGER-QGZVFWFLSA-N 1 2 330.476 3.091 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)cc(OC)c1C)C2 ZINC001097442231 1362991784 /nfs/dbraw/zinc/99/17/84/1362991784.db2.gz ZVXUCCPCTRKZMP-OIISXLGYSA-N 1 2 348.874 3.400 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)cc(OC)c1C)C2 ZINC001097442231 1362991787 /nfs/dbraw/zinc/99/17/87/1362991787.db2.gz ZVXUCCPCTRKZMP-OIISXLGYSA-N 1 2 348.874 3.400 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001097493690 1363019214 /nfs/dbraw/zinc/01/92/14/1363019214.db2.gz MKPUFFPODMRPTI-QGZVFWFLSA-N 1 2 328.460 3.346 20 30 EGEDLO Cc1cc(NC2CCC(NC(=O)C#CC3CC3)CC2)nc(C(C)C)[nH+]1 ZINC001097622857 1363079020 /nfs/dbraw/zinc/07/90/20/1363079020.db2.gz ANEXKAAVQVWVPO-UHFFFAOYSA-N 1 2 340.471 3.161 20 30 EGEDLO C#CCCCCCC(=O)NC[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001098188235 1363248504 /nfs/dbraw/zinc/24/85/04/1363248504.db2.gz DOJMDZYMLIQYIQ-HNNXBMFYSA-N 1 2 328.460 3.163 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC(C(F)(F)F)(C1)C3)C2 ZINC001098468090 1363335188 /nfs/dbraw/zinc/33/51/88/1363335188.db2.gz LFAIQAOQOFNBIQ-YGJURIOFSA-N 1 2 348.796 3.193 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC(C(F)(F)F)(C1)C3)C2 ZINC001098468090 1363335192 /nfs/dbraw/zinc/33/51/92/1363335192.db2.gz LFAIQAOQOFNBIQ-YGJURIOFSA-N 1 2 348.796 3.193 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H](CNc3cc[nH+]c(C)n3)C2)CCCC1 ZINC001098535856 1363358183 /nfs/dbraw/zinc/35/81/83/1363358183.db2.gz FDSIYPZUASSFTH-INIZCTEOSA-N 1 2 328.460 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)OCC(C)C ZINC001098943980 1363532525 /nfs/dbraw/zinc/53/25/25/1363532525.db2.gz GRXKKVIPMAHGQG-CVEARBPZSA-N 1 2 344.927 3.407 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)OCC(C)C ZINC001098943980 1363532527 /nfs/dbraw/zinc/53/25/27/1363532527.db2.gz GRXKKVIPMAHGQG-CVEARBPZSA-N 1 2 344.927 3.407 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC(=C)Cl ZINC001098960350 1363542118 /nfs/dbraw/zinc/54/21/18/1363542118.db2.gz MZYVXOLWKVWKCY-HOTGVXAUSA-N 1 2 342.911 3.327 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC(=C)Cl ZINC001098960350 1363542117 /nfs/dbraw/zinc/54/21/17/1363542117.db2.gz MZYVXOLWKVWKCY-HOTGVXAUSA-N 1 2 342.911 3.327 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1cc(F)ccc1F ZINC001098976683 1363551838 /nfs/dbraw/zinc/55/18/38/1363551838.db2.gz XCOWQBVQLLAHGV-BBRMVZONSA-N 1 2 349.425 3.231 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1cc(F)ccc1F ZINC001098976683 1363551840 /nfs/dbraw/zinc/55/18/40/1363551840.db2.gz XCOWQBVQLLAHGV-BBRMVZONSA-N 1 2 349.425 3.231 20 30 EGEDLO C#CCCCCC(=O)NCC[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001099027073 1363582451 /nfs/dbraw/zinc/58/24/51/1363582451.db2.gz MRYZCNMGGROMNP-OAHLLOKOSA-N 1 2 342.487 3.164 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nccc(C)n1 ZINC001099164707 1363665274 /nfs/dbraw/zinc/66/52/74/1363665274.db2.gz GVDZYDLNSVEYQI-MRXNPFEDSA-N 1 2 344.503 3.104 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nccc(C)n1 ZINC001099164707 1363665275 /nfs/dbraw/zinc/66/52/75/1363665275.db2.gz GVDZYDLNSVEYQI-MRXNPFEDSA-N 1 2 344.503 3.104 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nccc(C)n1 ZINC001099164706 1363665322 /nfs/dbraw/zinc/66/53/22/1363665322.db2.gz GVDZYDLNSVEYQI-INIZCTEOSA-N 1 2 344.503 3.104 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nccc(C)n1 ZINC001099164706 1363665325 /nfs/dbraw/zinc/66/53/25/1363665325.db2.gz GVDZYDLNSVEYQI-INIZCTEOSA-N 1 2 344.503 3.104 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CCC)OC ZINC001099170587 1363668221 /nfs/dbraw/zinc/66/82/21/1363668221.db2.gz IXXRVFIYCYSOGL-CABCVRRESA-N 1 2 330.900 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CCC)OC ZINC001099170587 1363668225 /nfs/dbraw/zinc/66/82/25/1363668225.db2.gz IXXRVFIYCYSOGL-CABCVRRESA-N 1 2 330.900 3.161 20 30 EGEDLO C=C1CC(C)(C(=O)NCCN(CC)c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001100713629 1364232306 /nfs/dbraw/zinc/23/23/06/1364232306.db2.gz YHBMCZIUZCRRSE-UHFFFAOYSA-N 1 2 330.476 3.207 20 30 EGEDLO C=C1CCC(C(=O)NCCN(CC)c2nc(C)[nH+]c(C)c2C)CC1 ZINC001100719309 1364233936 /nfs/dbraw/zinc/23/39/36/1364233936.db2.gz YZYISNONOCMWKS-UHFFFAOYSA-N 1 2 330.476 3.091 20 30 EGEDLO C=CCCc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c(=O)[nH]1 ZINC001185344778 1387689071 /nfs/dbraw/zinc/68/90/71/1387689071.db2.gz SAIATSHABXPQMB-UHFFFAOYSA-N 1 2 334.379 3.344 20 30 EGEDLO C=CCCC(=O)NCC[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001102289933 1364987035 /nfs/dbraw/zinc/98/70/35/1364987035.db2.gz QHDORDXTBGISLA-MRXNPFEDSA-N 1 2 330.476 3.207 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCC[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102370598 1365027394 /nfs/dbraw/zinc/02/73/94/1365027394.db2.gz FARKVKFEGIVEKP-QGZVFWFLSA-N 1 2 344.503 3.337 20 30 EGEDLO Cc1cc(N2CCCC[C@H](NC(=O)C#CC(C)C)C2)nc(C(C)C)[nH+]1 ZINC001102865990 1365260246 /nfs/dbraw/zinc/26/02/46/1365260246.db2.gz ZPFORNNKBOIGDR-KRWDZBQOSA-N 1 2 342.487 3.043 20 30 EGEDLO C=CCCC(=O)NCC[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102902117 1365283084 /nfs/dbraw/zinc/28/30/84/1365283084.db2.gz ASQQRWVMUTZCKJ-QGZVFWFLSA-N 1 2 330.476 3.091 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001103610371 1365674651 /nfs/dbraw/zinc/67/46/51/1365674651.db2.gz SBDZPGNWQTUDJI-QGZVFWFLSA-N 1 2 328.460 3.019 20 30 EGEDLO C#CCCCCC(=O)N1CCC(CCNc2cc[nH+]c(C)n2)CC1 ZINC001103621431 1365683533 /nfs/dbraw/zinc/68/35/33/1365683533.db2.gz MAAJQYFHRKAFOK-UHFFFAOYSA-N 1 2 328.460 3.019 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104208861 1365952020 /nfs/dbraw/zinc/95/20/20/1365952020.db2.gz JLGKEMBSFGGDRI-XOBRGWDASA-N 1 2 344.503 3.430 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@H](C)C1 ZINC001105055755 1366297210 /nfs/dbraw/zinc/29/72/10/1366297210.db2.gz QVZCLJUGRYGCJY-NVXWUHKLSA-N 1 2 328.460 3.018 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@H]([C@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001105083330 1366316401 /nfs/dbraw/zinc/31/64/01/1366316401.db2.gz FUFPFFCWGKIHOO-HOCLYGCPSA-N 1 2 330.476 3.426 20 30 EGEDLO CC#CCCCC(=O)N1CCC[C@@H](C)[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001105097217 1366325256 /nfs/dbraw/zinc/32/52/56/1366325256.db2.gz LYOBNVJYMPXFED-WBVHZDCISA-N 1 2 328.460 3.018 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC(CCN(C)c2cc[nH+]c(C)n2)CC1 ZINC001105100959 1366328360 /nfs/dbraw/zinc/32/83/60/1366328360.db2.gz RBWDASRIIAWACE-CVEARBPZSA-N 1 2 344.503 3.308 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H](Nc1cc(C)[nH+]c(C2CC2)n1)C(C)C ZINC001105256280 1366392899 /nfs/dbraw/zinc/39/28/99/1366392899.db2.gz WSUZQCPPFZFSHT-OAHLLOKOSA-N 1 2 330.476 3.427 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N(C)CCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001105528637 1366512403 /nfs/dbraw/zinc/51/24/03/1366512403.db2.gz RMGWMUXOYXEJNB-GOEBONIOSA-N 1 2 332.492 3.261 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCC[C@H]1CNc1nc(C)[nH+]c2c1CCCC2 ZINC001105646927 1366557997 /nfs/dbraw/zinc/55/79/97/1366557997.db2.gz MFALNQMWYYMVOF-DOTOQJQBSA-N 1 2 342.487 3.327 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@](C)(F)CCCC)CC2)C1 ZINC001105714162 1366582396 /nfs/dbraw/zinc/58/23/96/1366582396.db2.gz MNAMANMKPSGASL-IBGZPJMESA-N 1 2 340.483 3.173 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N[C@H](C)CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001106246436 1366632890 /nfs/dbraw/zinc/63/28/90/1366632890.db2.gz PEUCHQFYGWTHJG-ZBFHGGJFSA-N 1 2 348.491 3.196 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H](C)CCNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001106575679 1366741660 /nfs/dbraw/zinc/74/16/60/1366741660.db2.gz HGOQGLMPSQHVCH-ZDUSSCGKSA-N 1 2 328.460 3.325 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N(CC)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106923878 1366834972 /nfs/dbraw/zinc/83/49/72/1366834972.db2.gz JZEZGGXZTKZSFO-UKRRQHHQSA-N 1 2 330.476 3.381 20 30 EGEDLO C=CCCCC(=O)N(CC)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001106944942 1366842438 /nfs/dbraw/zinc/84/24/38/1366842438.db2.gz KTFVRRBODHHTHB-UHFFFAOYSA-N 1 2 330.476 3.281 20 30 EGEDLO C=CCCC1(C(=O)N[C@H](C)CN(C)c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001109220198 1367010340 /nfs/dbraw/zinc/01/03/40/1367010340.db2.gz UIHRUMLESWXSRU-OAHLLOKOSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)c(C)o1 ZINC001109336571 1367063210 /nfs/dbraw/zinc/06/32/10/1367063210.db2.gz JPMIHXIVQNOREN-PMPSAXMXSA-N 1 2 331.460 3.115 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)c(C)o1 ZINC001109336571 1367063212 /nfs/dbraw/zinc/06/32/12/1367063212.db2.gz JPMIHXIVQNOREN-PMPSAXMXSA-N 1 2 331.460 3.115 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC001109348697 1367077884 /nfs/dbraw/zinc/07/78/84/1367077884.db2.gz JLFFCBJQZWPCKA-JKSUJKDBSA-N 1 2 330.476 3.474 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N(C)CCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001109586775 1367212978 /nfs/dbraw/zinc/21/29/78/1367212978.db2.gz KXTIXIQDDIJFCU-DZGCQCFKSA-N 1 2 330.476 3.381 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1F ZINC001109601673 1367224003 /nfs/dbraw/zinc/22/40/03/1367224003.db2.gz KNYCFGUQRJSNAA-KBMXLJTQSA-N 1 2 334.410 3.399 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1F ZINC001109601673 1367224009 /nfs/dbraw/zinc/22/40/09/1367224009.db2.gz KNYCFGUQRJSNAA-KBMXLJTQSA-N 1 2 334.410 3.399 20 30 EGEDLO C#CCC1(C(=O)N[C@H](C)CNc2cc(C)[nH+]c(C(C)C)n2)CCC1 ZINC001107975729 1367226599 /nfs/dbraw/zinc/22/65/99/1367226599.db2.gz OWXAXCNFSHGHPJ-OAHLLOKOSA-N 1 2 328.460 3.019 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001109635439 1367255270 /nfs/dbraw/zinc/25/52/70/1367255270.db2.gz BZENGHAULBKSLV-WCVJEAGWSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001109635439 1367255276 /nfs/dbraw/zinc/25/52/76/1367255276.db2.gz BZENGHAULBKSLV-WCVJEAGWSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N1CC[C@@H]([N@H+](C)CC=C(Cl)Cl)C1)OCC ZINC001190445093 1367267080 /nfs/dbraw/zinc/26/70/80/1367267080.db2.gz URAUEAOOPRTMGM-ZIAGYGMSSA-N 1 2 349.302 3.209 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N1CC[C@@H]([N@@H+](C)CC=C(Cl)Cl)C1)OCC ZINC001190445093 1367267084 /nfs/dbraw/zinc/26/70/84/1367267084.db2.gz URAUEAOOPRTMGM-ZIAGYGMSSA-N 1 2 349.302 3.209 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001108072686 1367267818 /nfs/dbraw/zinc/26/78/18/1367267818.db2.gz PFXBRHKGTWPLQB-ZIAGYGMSSA-N 1 2 330.476 3.183 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001109770775 1367313366 /nfs/dbraw/zinc/31/33/66/1367313366.db2.gz AHMHFVOVAXHTFT-VYDXJSESSA-N 1 2 331.460 3.115 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001109770775 1367313369 /nfs/dbraw/zinc/31/33/69/1367313369.db2.gz AHMHFVOVAXHTFT-VYDXJSESSA-N 1 2 331.460 3.115 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@H](C)CNc2cccc(F)c2C#N)c(C)[nH+]1 ZINC001108218630 1367347758 /nfs/dbraw/zinc/34/77/58/1367347758.db2.gz PPYTWLFIJFLUEG-CYBMUJFWSA-N 1 2 340.402 3.248 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001108425100 1367448206 /nfs/dbraw/zinc/44/82/06/1367448206.db2.gz XZDAWURXXMCDDU-OXQOHEQNSA-N 1 2 330.472 3.207 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001108425100 1367448208 /nfs/dbraw/zinc/44/82/08/1367448208.db2.gz XZDAWURXXMCDDU-OXQOHEQNSA-N 1 2 330.472 3.207 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCCc2ccc(C)cc2)C1 ZINC001108432959 1367455823 /nfs/dbraw/zinc/45/58/23/1367455823.db2.gz UYFROGDUFZTBKH-NRFANRHFSA-N 1 2 344.499 3.101 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCCCc2ccc(C)cc2)C1 ZINC001108432959 1367455830 /nfs/dbraw/zinc/45/58/30/1367455830.db2.gz UYFROGDUFZTBKH-NRFANRHFSA-N 1 2 344.499 3.101 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCCCCCC)C2 ZINC001110036738 1367476877 /nfs/dbraw/zinc/47/68/77/1367476877.db2.gz RRYSMTALNDVURN-PMPSAXMXSA-N 1 2 328.884 3.057 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCCCCCC)C2 ZINC001110036738 1367476879 /nfs/dbraw/zinc/47/68/79/1367476879.db2.gz RRYSMTALNDVURN-PMPSAXMXSA-N 1 2 328.884 3.057 20 30 EGEDLO C=CC[C@H](C(=O)NCC1(Nc2cc[nH+]c(C)n2)CC1)c1ccccc1 ZINC001110153218 1367527644 /nfs/dbraw/zinc/52/76/44/1367527644.db2.gz SHBMZKIPBHQPKI-KRWDZBQOSA-N 1 2 336.439 3.206 20 30 EGEDLO C=CC1(CC(=O)NCC2(Nc3cc[nH+]c(C)n3)CC2)CCCCC1 ZINC001110174772 1367545058 /nfs/dbraw/zinc/54/50/58/1367545058.db2.gz VOESOWWXHXTXGE-UHFFFAOYSA-N 1 2 328.460 3.372 20 30 EGEDLO CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110285066 1367611091 /nfs/dbraw/zinc/61/10/91/1367611091.db2.gz PTZAFJHFFNEJEK-QRQLOZEOSA-N 1 2 343.446 3.499 20 30 EGEDLO CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110285066 1367611094 /nfs/dbraw/zinc/61/10/94/1367611094.db2.gz PTZAFJHFFNEJEK-QRQLOZEOSA-N 1 2 343.446 3.499 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCC1(Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001110295887 1367618601 /nfs/dbraw/zinc/61/86/01/1367618601.db2.gz OCYDEKPUTJNEIK-UHFFFAOYSA-N 1 2 328.460 3.325 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([N@H+](C)CC(=C)Br)C1 ZINC001191867776 1367620247 /nfs/dbraw/zinc/62/02/47/1367620247.db2.gz IKTHOKZTLKJGAF-OCCSQVGLSA-N 1 2 329.282 3.030 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([N@@H+](C)CC(=C)Br)C1 ZINC001191867776 1367620256 /nfs/dbraw/zinc/62/02/56/1367620256.db2.gz IKTHOKZTLKJGAF-OCCSQVGLSA-N 1 2 329.282 3.030 20 30 EGEDLO C#Cc1ccc(C(=O)NCC2(Nc3cc(C)[nH+]c(C4CC4)n3)CC2)cc1 ZINC001110308102 1367628640 /nfs/dbraw/zinc/62/86/40/1367628640.db2.gz HXWXUOGUEMUUQM-UHFFFAOYSA-N 1 2 346.434 3.018 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ncoc2C(C)C)C1 ZINC001191891071 1367629176 /nfs/dbraw/zinc/62/91/76/1367629176.db2.gz WWPWYWVRCGOZSK-HZPDHXFCSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncoc2C(C)C)C1 ZINC001191891071 1367629181 /nfs/dbraw/zinc/62/91/81/1367629181.db2.gz WWPWYWVRCGOZSK-HZPDHXFCSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001191910888 1367633589 /nfs/dbraw/zinc/63/35/89/1367633589.db2.gz AHAMPIMWZSPOSN-BEFAXECRSA-N 1 2 343.446 3.332 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001191910888 1367633595 /nfs/dbraw/zinc/63/35/95/1367633595.db2.gz AHAMPIMWZSPOSN-BEFAXECRSA-N 1 2 343.446 3.332 20 30 EGEDLO N#Cc1ccc(C(=O)Nc2cc[nH+]c3c2CCC3)c(C(F)(F)F)c1 ZINC001192077039 1367681466 /nfs/dbraw/zinc/68/14/66/1367681466.db2.gz DIQMDJWHNLCVSK-UHFFFAOYSA-N 1 2 331.297 3.135 20 30 EGEDLO C=CC[C@@H](C(=O)N[C@@H](C)CN(C)c1cc[nH+]c(C)n1)c1ccccc1 ZINC001108979655 1367697411 /nfs/dbraw/zinc/69/74/11/1367697411.db2.gz QQCLBFJVKGURCU-MAUKXSAKSA-N 1 2 338.455 3.086 20 30 EGEDLO C=CC[C@H](C(=O)N[C@H](C)CN(C)c1cc[nH+]c(C)n1)c1ccccc1 ZINC001108979658 1367697551 /nfs/dbraw/zinc/69/75/51/1367697551.db2.gz QQCLBFJVKGURCU-QAPCUYQASA-N 1 2 338.455 3.086 20 30 EGEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc2ccccc2o1 ZINC001109046317 1367737705 /nfs/dbraw/zinc/73/77/05/1367737705.db2.gz NQRYKFNXFQVZGL-KBMXLJTQSA-N 1 2 325.412 3.016 20 30 EGEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc2ccccc2o1 ZINC001109046317 1367737713 /nfs/dbraw/zinc/73/77/13/1367737713.db2.gz NQRYKFNXFQVZGL-KBMXLJTQSA-N 1 2 325.412 3.016 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(F)c1 ZINC001110459389 1367747813 /nfs/dbraw/zinc/74/78/13/1367747813.db2.gz IQHRWZOEWGIHIK-LZQZEXGQSA-N 1 2 346.421 3.380 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(F)c1 ZINC001110459389 1367747819 /nfs/dbraw/zinc/74/78/19/1367747819.db2.gz IQHRWZOEWGIHIK-LZQZEXGQSA-N 1 2 346.421 3.380 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]2CCN(c3cc(C)[nH+]c(C(C)C)n3)[C@@H]2C1 ZINC001110487517 1367775025 /nfs/dbraw/zinc/77/50/25/1367775025.db2.gz JDQQHJICVKCIDF-IAGOWNOFSA-N 1 2 342.487 3.302 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)[C@@H]2C1 ZINC001110496509 1367784704 /nfs/dbraw/zinc/78/47/04/1367784704.db2.gz GYSIWPPDKHTOPE-ZWKOTPCHSA-N 1 2 342.487 3.185 20 30 EGEDLO C[C@@H](c1ccc(F)cc1F)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110542809 1367820959 /nfs/dbraw/zinc/82/09/59/1367820959.db2.gz APLYKKCXSHJABF-PNYIKSMMSA-N 1 2 344.405 3.161 20 30 EGEDLO C[C@@H](c1ccc(F)cc1F)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110542809 1367820961 /nfs/dbraw/zinc/82/09/61/1367820961.db2.gz APLYKKCXSHJABF-PNYIKSMMSA-N 1 2 344.405 3.161 20 30 EGEDLO C=C(C)CCC(=O)NC1(C)CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001110600647 1367862131 /nfs/dbraw/zinc/86/21/31/1367862131.db2.gz OATKTDZZKGBTFB-UHFFFAOYSA-N 1 2 330.476 3.233 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H](CNc1cc[nH+]c(C)n1)C1CCCC1 ZINC001110669855 1367908541 /nfs/dbraw/zinc/90/85/41/1367908541.db2.gz CRRPANFLSMKRAL-MRXNPFEDSA-N 1 2 330.476 3.474 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C1CCCC1 ZINC001110673204 1367913368 /nfs/dbraw/zinc/91/33/68/1367913368.db2.gz SJMGRGGSJPDMIG-SFHVURJKSA-N 1 2 342.487 3.456 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110897549 1368070871 /nfs/dbraw/zinc/07/08/71/1368070871.db2.gz OCQJMKATRDFWDG-NXHRZFHOSA-N 1 2 341.430 3.131 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110897549 1368070877 /nfs/dbraw/zinc/07/08/77/1368070877.db2.gz OCQJMKATRDFWDG-NXHRZFHOSA-N 1 2 341.430 3.131 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC001110946983 1368114097 /nfs/dbraw/zinc/11/40/97/1368114097.db2.gz VMLHXVGGSNJUSM-LJQANCHMSA-N 1 2 330.476 3.110 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC001110954379 1368121393 /nfs/dbraw/zinc/12/13/93/1368121393.db2.gz VATHCIMYVXIHQZ-DNVCBOLYSA-N 1 2 330.476 3.110 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)cn2)CCC1 ZINC001110987069 1368134706 /nfs/dbraw/zinc/13/47/06/1368134706.db2.gz IFZNOOZPNYXEQJ-KURKYZTESA-N 1 2 343.446 3.189 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)cn2)CCC1 ZINC001110987069 1368134714 /nfs/dbraw/zinc/13/47/14/1368134714.db2.gz IFZNOOZPNYXEQJ-KURKYZTESA-N 1 2 343.446 3.189 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([C@H](C)Nc3cc[nH+]c(C)n3)C2)CCC1 ZINC001111233063 1368209172 /nfs/dbraw/zinc/20/91/72/1368209172.db2.gz OSKUNOVSDAZFGH-HOCLYGCPSA-N 1 2 328.460 3.180 20 30 EGEDLO C=CCOC(=O)NCc1c[nH+]cn1Cc1cccc(C(F)(F)F)c1 ZINC001194347463 1368240656 /nfs/dbraw/zinc/24/06/56/1368240656.db2.gz WXQWEQUTXVBZKY-UHFFFAOYSA-N 1 2 339.317 3.362 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1ccccc1)C2 ZINC001111435702 1368306522 /nfs/dbraw/zinc/30/65/22/1368306522.db2.gz ZZOTYNXCHJBJAE-LIRZEXBASA-N 1 2 332.875 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1ccccc1)C2 ZINC001111435702 1368306527 /nfs/dbraw/zinc/30/65/27/1368306527.db2.gz ZZOTYNXCHJBJAE-LIRZEXBASA-N 1 2 332.875 3.339 20 30 EGEDLO CCC[C@H](C)C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001195374488 1368430036 /nfs/dbraw/zinc/43/00/36/1368430036.db2.gz WAQVNNXNHFUXPK-KRWDZBQOSA-N 1 2 330.447 3.148 20 30 EGEDLO CCC[C@H](C)C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001195374488 1368430041 /nfs/dbraw/zinc/43/00/41/1368430041.db2.gz WAQVNNXNHFUXPK-KRWDZBQOSA-N 1 2 330.447 3.148 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@@H+]([C@H](C)c2c(F)cccc2F)CC1 ZINC001195645235 1368464016 /nfs/dbraw/zinc/46/40/16/1368464016.db2.gz LONDXSURXVJZJG-OAHLLOKOSA-N 1 2 334.410 3.364 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@H+]([C@H](C)c2c(F)cccc2F)CC1 ZINC001195645235 1368464018 /nfs/dbraw/zinc/46/40/18/1368464018.db2.gz LONDXSURXVJZJG-OAHLLOKOSA-N 1 2 334.410 3.364 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cscn1)C2 ZINC001111848771 1368502571 /nfs/dbraw/zinc/50/25/71/1368502571.db2.gz SPEDMBYULHVHAT-VKJFTORMSA-N 1 2 333.501 3.216 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cscn1)C2 ZINC001111848771 1368502574 /nfs/dbraw/zinc/50/25/74/1368502574.db2.gz SPEDMBYULHVHAT-VKJFTORMSA-N 1 2 333.501 3.216 20 30 EGEDLO CC(C)(CC(F)F)C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001196123941 1368552096 /nfs/dbraw/zinc/55/20/96/1368552096.db2.gz GBAHSUMLPUIFOF-UHFFFAOYSA-N 1 2 349.425 3.274 20 30 EGEDLO CC(C)(CC(F)F)C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001196123941 1368552097 /nfs/dbraw/zinc/55/20/97/1368552097.db2.gz GBAHSUMLPUIFOF-UHFFFAOYSA-N 1 2 349.425 3.274 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[N@@H+](Cc2ccnc(Cl)c2)CC1 ZINC001196770265 1368680239 /nfs/dbraw/zinc/68/02/39/1368680239.db2.gz MRZKYJJWQQSLGG-UHFFFAOYSA-N 1 2 347.890 3.353 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[N@H+](Cc2ccnc(Cl)c2)CC1 ZINC001196770265 1368680241 /nfs/dbraw/zinc/68/02/41/1368680241.db2.gz MRZKYJJWQQSLGG-UHFFFAOYSA-N 1 2 347.890 3.353 20 30 EGEDLO C=C/C(C)=C/CC(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001196791246 1368685681 /nfs/dbraw/zinc/68/56/81/1368685681.db2.gz YDKDSBMPUDOKQC-CNHKJKLMSA-N 1 2 340.442 3.234 20 30 EGEDLO C=C/C(C)=C/CC(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001196791246 1368685687 /nfs/dbraw/zinc/68/56/87/1368685687.db2.gz YDKDSBMPUDOKQC-CNHKJKLMSA-N 1 2 340.442 3.234 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N(C)CCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001112155239 1368686897 /nfs/dbraw/zinc/68/68/97/1368686897.db2.gz OQBLTLYFLBSBJM-ZBFHGGJFSA-N 1 2 344.503 3.405 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC001196829229 1368692870 /nfs/dbraw/zinc/69/28/70/1368692870.db2.gz FJFRMVUBGPALCS-SJORKVTESA-N 1 2 346.519 3.131 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC001196829229 1368692874 /nfs/dbraw/zinc/69/28/74/1368692874.db2.gz FJFRMVUBGPALCS-SJORKVTESA-N 1 2 346.519 3.131 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@H+](Cc2ccc(Cl)nc2)CC1 ZINC001196900682 1368709911 /nfs/dbraw/zinc/70/99/11/1368709911.db2.gz GYPYNDSFDFYTLJ-HNNXBMFYSA-N 1 2 335.879 3.372 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@@H+](Cc2ccc(Cl)nc2)CC1 ZINC001196900682 1368709914 /nfs/dbraw/zinc/70/99/14/1368709914.db2.gz GYPYNDSFDFYTLJ-HNNXBMFYSA-N 1 2 335.879 3.372 20 30 EGEDLO C=CCCC(=O)N1CCCC[C@H]1[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001112203047 1368712070 /nfs/dbraw/zinc/71/20/70/1368712070.db2.gz BTNQEAHSFJHDOC-MSOLQXFVSA-N 1 2 342.487 3.349 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@@H+](Cc3cncc(F)c3)CC2)CCC1 ZINC001197055261 1368736523 /nfs/dbraw/zinc/73/65/23/1368736523.db2.gz PGQSSDQPSREKEP-UHFFFAOYSA-N 1 2 331.435 3.001 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@H+](Cc3cncc(F)c3)CC2)CCC1 ZINC001197055261 1368736526 /nfs/dbraw/zinc/73/65/26/1368736526.db2.gz PGQSSDQPSREKEP-UHFFFAOYSA-N 1 2 331.435 3.001 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[N@H+](Cc2ccnc(Cl)c2)CC1 ZINC001197292206 1368781066 /nfs/dbraw/zinc/78/10/66/1368781066.db2.gz SHTSAUCNMGFPJQ-UHFFFAOYSA-N 1 2 335.879 3.372 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[N@@H+](Cc2ccnc(Cl)c2)CC1 ZINC001197292206 1368781068 /nfs/dbraw/zinc/78/10/68/1368781068.db2.gz SHTSAUCNMGFPJQ-UHFFFAOYSA-N 1 2 335.879 3.372 20 30 EGEDLO C=CCC1(C(=O)N2CCC(C)(Nc3cc[nH+]c(C)n3)CC2)CCC1 ZINC001112359069 1368790001 /nfs/dbraw/zinc/79/00/01/1368790001.db2.gz FLSKXWPSWOCBGH-UHFFFAOYSA-N 1 2 328.460 3.324 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001112384803 1368814093 /nfs/dbraw/zinc/81/40/93/1368814093.db2.gz WVDJKQPMCKIKNL-OAHLLOKOSA-N 1 2 330.476 3.108 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C[C@@H]1C ZINC001112404479 1368826726 /nfs/dbraw/zinc/82/67/26/1368826726.db2.gz BNHYUYFIOGITFU-RDJZCZTQSA-N 1 2 342.487 3.043 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C[C@@H]1C ZINC001112434375 1368850476 /nfs/dbraw/zinc/85/04/76/1368850476.db2.gz XOPZMRAGIFUFGV-WMLDXEAASA-N 1 2 342.487 3.350 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H](C)C1 ZINC001112476860 1368875495 /nfs/dbraw/zinc/87/54/95/1368875495.db2.gz OCKQSGXUXUOUJQ-GOEBONIOSA-N 1 2 328.460 3.102 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC001112676713 1368976193 /nfs/dbraw/zinc/97/61/93/1368976193.db2.gz VXIYYOYPMCXDOH-MRXNPFEDSA-N 1 2 342.439 3.058 20 30 EGEDLO C=CCCC(=O)N1CCC(CN(CC)c2nc(C)[nH+]c(C)c2C)CC1 ZINC001112684644 1368980505 /nfs/dbraw/zinc/98/05/05/1368980505.db2.gz ZVYVDSKISCKEKO-UHFFFAOYSA-N 1 2 344.503 3.433 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001112807788 1369019401 /nfs/dbraw/zinc/01/94/01/1369019401.db2.gz OOGSHTVWQAYZBG-RDTXWAMCSA-N 1 2 344.503 3.431 20 30 EGEDLO CC#CCCCC(=O)NC1CC(CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001112867708 1369058247 /nfs/dbraw/zinc/05/82/47/1369058247.db2.gz CSJCEFHKZXPNGI-UHFFFAOYSA-N 1 2 340.471 3.163 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[NH+](CCc2ccccc2F)CC1 ZINC001112885555 1369068564 /nfs/dbraw/zinc/06/85/64/1369068564.db2.gz FHGQNUYHXAPHNK-UHFFFAOYSA-N 1 2 330.447 3.281 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC001112885574 1369068819 /nfs/dbraw/zinc/06/88/19/1369068819.db2.gz GECIGEOZXGIWNR-UHFFFAOYSA-N 1 2 346.446 3.117 20 30 EGEDLO Cc1nc(N[C@H](C)[C@H](C)NC(=O)C#CC(C)(C)C)c2c([nH+]1)CCCC2 ZINC001113004458 1369131634 /nfs/dbraw/zinc/13/16/34/1369131634.db2.gz OSRJFQARWDTUSH-UONOGXRCSA-N 1 2 342.487 3.018 20 30 EGEDLO C=CCCC1(C(=O)NC[C@H]([NH2+]CCF)c2ccccc2OC)CC1 ZINC001198885585 1369139962 /nfs/dbraw/zinc/13/99/62/1369139962.db2.gz MBGUILDBKFMWRZ-INIZCTEOSA-N 1 2 334.435 3.158 20 30 EGEDLO C#CCCCCCC(=O)N1CC[NH+](CCO[C@H]2CCCC[C@@H]2C)CC1 ZINC001113198084 1369258244 /nfs/dbraw/zinc/25/82/44/1369258244.db2.gz SKMTWBOIGGRLOP-PMACEKPBSA-N 1 2 348.531 3.310 20 30 EGEDLO C=CCSc1ncccc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001199736816 1369264552 /nfs/dbraw/zinc/26/45/52/1369264552.db2.gz QPZUWTBLKKEOQO-CYBMUJFWSA-N 1 2 328.441 3.103 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC[NH+](CCOc2cc(C)cc(C)c2)CC1 ZINC001113229585 1369277575 /nfs/dbraw/zinc/27/75/75/1369277575.db2.gz MQFKJLMCDPJRQM-RBUKOAKNSA-N 1 2 344.499 3.285 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC001113229550 1369277650 /nfs/dbraw/zinc/27/76/50/1369277650.db2.gz LZTIHSZHOFIMRK-WBVHZDCISA-N 1 2 330.472 3.106 20 30 EGEDLO CC#CCCCC(=O)N(C)C1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC001113388405 1369389365 /nfs/dbraw/zinc/38/93/65/1369389365.db2.gz UZQFIOIVYSAUIP-UHFFFAOYSA-N 1 2 328.460 3.160 20 30 EGEDLO CCCCCCC[NH+]1CCN(C(=O)c2cccc3[nH]cnc32)CC1 ZINC001113450205 1369439561 /nfs/dbraw/zinc/43/95/61/1369439561.db2.gz BOFUFMBSFXAOOF-UHFFFAOYSA-N 1 2 328.460 3.291 20 30 EGEDLO C=CC[NH+]1CCN(C(=S)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC001200997364 1369463735 /nfs/dbraw/zinc/46/37/35/1369463735.db2.gz QQRATIHMHGYWLC-UHFFFAOYSA-N 1 2 330.284 3.494 20 30 EGEDLO C=C[C@@H](CC(=O)N1CC[NH+](Cc2cccnc2C)CC1)c1ccccc1 ZINC001113666953 1369554223 /nfs/dbraw/zinc/55/42/23/1369554223.db2.gz IUFWOFZMWVCDEL-IBGZPJMESA-N 1 2 349.478 3.394 20 30 EGEDLO O=C(CC#Cc1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001113668483 1369556657 /nfs/dbraw/zinc/55/66/57/1369556657.db2.gz KMTYSOYPNIDGJO-RIYZIHGNSA-N 1 2 344.458 3.286 20 30 EGEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+]([C@@H](CC)c2ccc(F)cc2)CC1 ZINC001113713335 1369581763 /nfs/dbraw/zinc/58/17/63/1369581763.db2.gz ORSZQBWLSMJFDW-YJBOKZPZSA-N 1 2 334.435 3.012 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](CCOCCC(C)C)CC2)CCCC1 ZINC001113745028 1369599169 /nfs/dbraw/zinc/59/91/69/1369599169.db2.gz UMVGXZWDAVRHDE-UHFFFAOYSA-N 1 2 336.520 3.330 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001113822367 1369623743 /nfs/dbraw/zinc/62/37/43/1369623743.db2.gz OWQWDDWGAFVPDQ-HZPDHXFCSA-N 1 2 332.492 3.452 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)CC[C@H]1C ZINC001114052580 1369705719 /nfs/dbraw/zinc/70/57/19/1369705719.db2.gz MZQDOHRRSQNAEA-ZBFHGGJFSA-N 1 2 344.503 3.452 20 30 EGEDLO N#Cc1cccc(NC(=O)NCc2c[nH+]cn2Cc2cccc(F)c2)c1 ZINC001202797594 1369896329 /nfs/dbraw/zinc/89/63/29/1369896329.db2.gz BINZQEFNRXRCMJ-UHFFFAOYSA-N 1 2 349.369 3.264 20 30 EGEDLO C=CCCC(=O)NC[C@H]1CCCCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001114348939 1369905559 /nfs/dbraw/zinc/90/55/59/1369905559.db2.gz GUUOVHKMQYHHGD-QGZVFWFLSA-N 1 2 342.487 3.494 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001114481558 1369969248 /nfs/dbraw/zinc/96/92/48/1369969248.db2.gz NJRARIGQJQOXPW-UZLBHIALSA-N 1 2 344.503 3.335 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC001114681643 1370022234 /nfs/dbraw/zinc/02/22/34/1370022234.db2.gz WXOMDCOTJHXWRV-QLPKVWCKSA-N 1 2 347.528 3.244 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC001114681643 1370022236 /nfs/dbraw/zinc/02/22/36/1370022236.db2.gz WXOMDCOTJHXWRV-QLPKVWCKSA-N 1 2 347.528 3.244 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC001114726950 1370049258 /nfs/dbraw/zinc/04/92/58/1370049258.db2.gz RUWMUZXUBLDHMG-ANRZDRKOSA-N 1 2 345.512 3.169 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC001114726950 1370049263 /nfs/dbraw/zinc/04/92/63/1370049263.db2.gz RUWMUZXUBLDHMG-ANRZDRKOSA-N 1 2 345.512 3.169 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N[C@H]1C[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001114806867 1370090125 /nfs/dbraw/zinc/09/01/25/1370090125.db2.gz GYQSPRDXKJPRCP-DUFGSWQCSA-N 1 2 342.487 3.427 20 30 EGEDLO COc1ccc(C[N@@H+]2CCc3cc(C#N)ccc3C2)c(OC)c1OC ZINC001203457008 1370133448 /nfs/dbraw/zinc/13/34/48/1370133448.db2.gz NHHWJGNVYSRWQF-UHFFFAOYSA-N 1 2 338.407 3.142 20 30 EGEDLO COc1ccc(C[N@H+]2CCc3cc(C#N)ccc3C2)c(OC)c1OC ZINC001203457008 1370133450 /nfs/dbraw/zinc/13/34/50/1370133450.db2.gz NHHWJGNVYSRWQF-UHFFFAOYSA-N 1 2 338.407 3.142 20 30 EGEDLO C#CCCCC(=O)N[C@H](C)CCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001114918316 1370148668 /nfs/dbraw/zinc/14/86/68/1370148668.db2.gz ZJZMNOOSQPXMTA-OAHLLOKOSA-N 1 2 342.487 3.164 20 30 EGEDLO CC(C)(C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001115003422 1370204908 /nfs/dbraw/zinc/20/49/08/1370204908.db2.gz PJRNUCHCEPPGAV-DZFIZOCASA-N 1 2 343.446 3.070 20 30 EGEDLO CC(C)(C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001115003422 1370204912 /nfs/dbraw/zinc/20/49/12/1370204912.db2.gz PJRNUCHCEPPGAV-DZFIZOCASA-N 1 2 343.446 3.070 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCC[N@@H+]2Cc1cccc(C#N)c1 ZINC001203758219 1370251718 /nfs/dbraw/zinc/25/17/18/1370251718.db2.gz ULSOSUTUQXUOMW-SJORKVTESA-N 1 2 327.428 3.142 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCC[N@H+]2Cc1cccc(C#N)c1 ZINC001203758219 1370251723 /nfs/dbraw/zinc/25/17/23/1370251723.db2.gz ULSOSUTUQXUOMW-SJORKVTESA-N 1 2 327.428 3.142 20 30 EGEDLO Cc1nc(C[N@@H+]2CCC3(CN(Cc4ccc(C#N)cc4)C3)C2)cs1 ZINC001203901474 1370306522 /nfs/dbraw/zinc/30/65/22/1370306522.db2.gz NNGDUHMXLMTIIP-UHFFFAOYSA-N 1 2 338.480 3.031 20 30 EGEDLO Cc1nc(C[N@H+]2CCC3(CN(Cc4ccc(C#N)cc4)C3)C2)cs1 ZINC001203901474 1370306523 /nfs/dbraw/zinc/30/65/23/1370306523.db2.gz NNGDUHMXLMTIIP-UHFFFAOYSA-N 1 2 338.480 3.031 20 30 EGEDLO C=CCC1(C(=O)NC2[C@H]3C[N@@H+](C/C(Cl)=C\Cl)C[C@@H]23)CCCC1 ZINC001115365510 1370410712 /nfs/dbraw/zinc/41/07/12/1370410712.db2.gz YMNUDVQGZOLRTM-FNBFCJALSA-N 1 2 343.298 3.488 20 30 EGEDLO C=CCC1(C(=O)NC2[C@H]3C[N@H+](C/C(Cl)=C\Cl)C[C@@H]23)CCCC1 ZINC001115365510 1370410714 /nfs/dbraw/zinc/41/07/14/1370410714.db2.gz YMNUDVQGZOLRTM-FNBFCJALSA-N 1 2 343.298 3.488 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001204438164 1370477890 /nfs/dbraw/zinc/47/78/90/1370477890.db2.gz JCSAHEOOXLMSPH-AWEZNQCLSA-N 1 2 326.799 3.356 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001204438164 1370477892 /nfs/dbraw/zinc/47/78/92/1370477892.db2.gz JCSAHEOOXLMSPH-AWEZNQCLSA-N 1 2 326.799 3.356 20 30 EGEDLO C=CCCC(=O)N(C)[C@H](CNc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001115490090 1370492863 /nfs/dbraw/zinc/49/28/63/1370492863.db2.gz NJOFVGLILFCHPB-MRXNPFEDSA-N 1 2 328.460 3.278 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(F)c(F)c(F)c1)C2 ZINC001204527202 1370504679 /nfs/dbraw/zinc/50/46/79/1370504679.db2.gz RXUVABOABKMPLD-KSSFIOAISA-N 1 2 341.373 3.430 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(F)c(F)c(F)c1)C2 ZINC001204527202 1370504681 /nfs/dbraw/zinc/50/46/81/1370504681.db2.gz RXUVABOABKMPLD-KSSFIOAISA-N 1 2 341.373 3.430 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@@H]([NH2+]Cc2nc(CC)no2)C1 ZINC001187341346 1388097311 /nfs/dbraw/zinc/09/73/11/1388097311.db2.gz SJNVTLVJGWUBKG-OAHLLOKOSA-N 1 2 336.480 3.073 20 30 EGEDLO N#CCc1cccc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)n1 ZINC001116661901 1370952182 /nfs/dbraw/zinc/95/21/82/1370952182.db2.gz LTPOMKRMGKUEGL-UHFFFAOYSA-N 1 2 343.434 3.150 20 30 EGEDLO N[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C(F)(F)F)c(F)c2)C1 ZINC001206221034 1370996491 /nfs/dbraw/zinc/99/64/91/1370996491.db2.gz DKJHZJMFTWFRQI-NSHDSACASA-N 1 2 330.247 3.310 20 30 EGEDLO N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2)C1 ZINC001206221034 1370996495 /nfs/dbraw/zinc/99/64/95/1370996495.db2.gz DKJHZJMFTWFRQI-NSHDSACASA-N 1 2 330.247 3.310 20 30 EGEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1nc(C)c(C)cc1C#N ZINC001206482316 1371068297 /nfs/dbraw/zinc/06/82/97/1371068297.db2.gz HMWDCPLGTPVLII-UHFFFAOYSA-N 1 2 337.423 3.078 20 30 EGEDLO C/C=C(/C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206841708 1371186192 /nfs/dbraw/zinc/18/61/92/1371186192.db2.gz OJXLLYHYYZQBGD-YPHGIUPASA-N 1 2 330.859 3.094 20 30 EGEDLO C/C=C(/C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206841708 1371186195 /nfs/dbraw/zinc/18/61/95/1371186195.db2.gz OJXLLYHYYZQBGD-YPHGIUPASA-N 1 2 330.859 3.094 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ncc(C(C)(C)C)o2)C[C@H]1C ZINC001206911441 1371220856 /nfs/dbraw/zinc/22/08/56/1371220856.db2.gz PZXSERMCBLTTIU-BZUAXINKSA-N 1 2 345.487 3.273 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ncc(C(C)(C)C)o2)C[C@H]1C ZINC001206911441 1371220859 /nfs/dbraw/zinc/22/08/59/1371220859.db2.gz PZXSERMCBLTTIU-BZUAXINKSA-N 1 2 345.487 3.273 20 30 EGEDLO N#Cc1cc(F)cc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)c1 ZINC001118980261 1371258274 /nfs/dbraw/zinc/25/82/74/1371258274.db2.gz AWGUUIJCJYLRRC-SFHVURJKSA-N 1 2 338.386 3.086 20 30 EGEDLO N#Cc1cc(F)cc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)c1 ZINC001118980261 1371258277 /nfs/dbraw/zinc/25/82/77/1371258277.db2.gz AWGUUIJCJYLRRC-SFHVURJKSA-N 1 2 338.386 3.086 20 30 EGEDLO N#Cc1cccc(O[C@@H]2CCC[N@H+](Cc3ncc4ccccn43)C2)c1 ZINC001207058402 1371280920 /nfs/dbraw/zinc/28/09/20/1371280920.db2.gz XLMKCWKSCHQOJQ-LJQANCHMSA-N 1 2 332.407 3.249 20 30 EGEDLO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3ncc4ccccn43)C2)c1 ZINC001207058402 1371280934 /nfs/dbraw/zinc/28/09/34/1371280934.db2.gz XLMKCWKSCHQOJQ-LJQANCHMSA-N 1 2 332.407 3.249 20 30 EGEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3c(F)cccc3F)C[C@H]2C)CCC1 ZINC001207510643 1371420389 /nfs/dbraw/zinc/42/03/89/1371420389.db2.gz TYGVETZVNZMHQU-RDTXWAMCSA-N 1 2 346.421 3.095 20 30 EGEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3c(F)cccc3F)C[C@H]2C)CCC1 ZINC001207510643 1371420394 /nfs/dbraw/zinc/42/03/94/1371420394.db2.gz TYGVETZVNZMHQU-RDTXWAMCSA-N 1 2 346.421 3.095 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001121037579 1371839165 /nfs/dbraw/zinc/83/91/65/1371839165.db2.gz MSPIJVFLNXBNBE-WMZOPIPTSA-N 1 2 336.863 3.184 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001121037579 1371839173 /nfs/dbraw/zinc/83/91/73/1371839173.db2.gz MSPIJVFLNXBNBE-WMZOPIPTSA-N 1 2 336.863 3.184 20 30 EGEDLO N#Cc1ccc(CCN2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)cc1 ZINC001208929063 1371948270 /nfs/dbraw/zinc/94/82/70/1371948270.db2.gz MTKKCTQRLGHIIL-SFHVURJKSA-N 1 2 333.426 3.296 20 30 EGEDLO C=CCCC1(C(=O)N2CCC[C@H]([NH2+][C@@H](C)c3nc(CC)no3)C2)CC1 ZINC001209453941 1372110095 /nfs/dbraw/zinc/11/00/95/1372110095.db2.gz HGFLHXNTLARXHB-GJZGRUSLSA-N 1 2 346.475 3.020 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@H]([NH2+][C@H](C)c3nc(CC)no3)C2)CCC1 ZINC001209484858 1372118501 /nfs/dbraw/zinc/11/85/01/1372118501.db2.gz LVHNOEHLHNUBLK-CABCVRRESA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC(C)(C)C)C1 ZINC001209618912 1372153533 /nfs/dbraw/zinc/15/35/33/1372153533.db2.gz ZJXXNYUKOUJJBO-DGCLKSJQSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC(C)(C)C)C1 ZINC001209618912 1372153536 /nfs/dbraw/zinc/15/35/36/1372153536.db2.gz ZJXXNYUKOUJJBO-DGCLKSJQSA-N 1 2 331.298 3.158 20 30 EGEDLO N#C[C@@H]1C[NH2+]CCN1Cc1ccc(-c2ccccc2C(F)(F)F)o1 ZINC001210122400 1372275665 /nfs/dbraw/zinc/27/56/65/1372275665.db2.gz QBIHVIGEQNMROL-GFCCVEGCSA-N 1 2 335.329 3.263 20 30 EGEDLO N#C[C@@H]1C[NH2+]CCN1Cc1ccc(C(F)(F)F)cc1C(F)(F)F ZINC001210121023 1372275740 /nfs/dbraw/zinc/27/57/40/1372275740.db2.gz JCQPBIBTWFIYHP-LLVKDONJSA-N 1 2 337.267 3.022 20 30 EGEDLO C[NH+]1CCN(c2ccc(Nc3cccc(Cl)c3O)cc2C#N)CC1 ZINC001210222197 1372296271 /nfs/dbraw/zinc/29/62/71/1372296271.db2.gz SYQUQHMEOPFLMV-UHFFFAOYSA-N 1 2 342.830 3.413 20 30 EGEDLO O=C(OCC#Cc1ccccn1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001123048729 1372369998 /nfs/dbraw/zinc/36/99/98/1372369998.db2.gz MQDPLKFMYLWDSU-FQEVSTJZSA-N 1 2 334.419 3.031 20 30 EGEDLO O=C(OCC#Cc1ccccn1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001123048729 1372370003 /nfs/dbraw/zinc/37/00/03/1372370003.db2.gz MQDPLKFMYLWDSU-FQEVSTJZSA-N 1 2 334.419 3.031 20 30 EGEDLO N#Cc1cc(Cl)cc(Nc2ccc(N3CCC(O)CC3)[nH+]c2)c1 ZINC001210537299 1372373630 /nfs/dbraw/zinc/37/36/30/1372373630.db2.gz XOGVVPPLEJEJEF-UHFFFAOYSA-N 1 2 328.803 3.311 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)C(C)(C)C)C1 ZINC001210589552 1372385574 /nfs/dbraw/zinc/38/55/74/1372385574.db2.gz JWPOOMUDZMCZBH-YRGRVCCFSA-N 1 2 345.325 3.404 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)C(C)(C)C)C1 ZINC001210589552 1372385579 /nfs/dbraw/zinc/38/55/79/1372385579.db2.gz JWPOOMUDZMCZBH-YRGRVCCFSA-N 1 2 345.325 3.404 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@H]1C ZINC001123554929 1372505009 /nfs/dbraw/zinc/50/50/09/1372505009.db2.gz PUSBAKPSSILBBE-FUHWJXTLSA-N 1 2 342.487 3.069 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001123652794 1372541557 /nfs/dbraw/zinc/54/15/57/1372541557.db2.gz HROFOGVYERMWJI-ZBFHGGJFSA-N 1 2 342.487 3.348 20 30 EGEDLO Cc1cc(NC[C@@H]2CC[C@H](NC(=O)C#CC(C)C)C2)nc(C(C)C)[nH+]1 ZINC001123784854 1372587920 /nfs/dbraw/zinc/58/79/20/1372587920.db2.gz MZHSZXFOPVUMCF-SJORKVTESA-N 1 2 342.487 3.265 20 30 EGEDLO Cc1cc(NC[C@H]2CC[C@@H](NC(=O)C#CC3CC3)C2)nc(C(C)C)[nH+]1 ZINC001123793081 1372590199 /nfs/dbraw/zinc/59/01/99/1372590199.db2.gz AYZGBAVOBMWZAP-DLBZAZTESA-N 1 2 340.471 3.019 20 30 EGEDLO C=CCCC(=O)N1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C(C)(C)C1 ZINC001123908735 1372623967 /nfs/dbraw/zinc/62/39/67/1372623967.db2.gz SMMQTGXBRUOHPN-HNNXBMFYSA-N 1 2 328.460 3.278 20 30 EGEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC001125515596 1372799126 /nfs/dbraw/zinc/79/91/26/1372799126.db2.gz ORIMLTZJIRVVSC-MRXNPFEDSA-N 1 2 344.418 3.239 20 30 EGEDLO Cc1cc(NC[C@H](NC(=O)[C@@H](C)C#N)C(C)(C)C)nc(C(C)C)[nH+]1 ZINC001125822796 1372864572 /nfs/dbraw/zinc/86/45/72/1372864572.db2.gz UGBYYRHWWOOFCY-JSGCOSHPSA-N 1 2 331.464 3.011 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H](C)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001126668945 1372995390 /nfs/dbraw/zinc/99/53/90/1372995390.db2.gz VNXVCESSJHICSV-OAHLLOKOSA-N 1 2 344.503 3.335 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H](C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001126684293 1372998095 /nfs/dbraw/zinc/99/80/95/1372998095.db2.gz KFIMEDFNWNEOEW-CQSZACIVSA-N 1 2 330.476 3.108 20 30 EGEDLO CCOC(=O)c1ccc2[nH+]ccc(Nc3ccc(OC)c(C#N)c3)c2c1 ZINC001214997585 1373153586 /nfs/dbraw/zinc/15/35/86/1373153586.db2.gz ZLLACYBGODCHTB-UHFFFAOYSA-N 1 2 347.374 3.457 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)CC3CCC3)c2C1 ZINC001128284348 1373245739 /nfs/dbraw/zinc/24/57/39/1373245739.db2.gz OPLFDIVWNITJAC-UHFFFAOYSA-N 1 2 346.519 3.476 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)CC3CCC3)c2C1 ZINC001128284348 1373245742 /nfs/dbraw/zinc/24/57/42/1373245742.db2.gz OPLFDIVWNITJAC-UHFFFAOYSA-N 1 2 346.519 3.476 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCc1cnn2c1C[N@H+](CC/C=C\CC)CC2 ZINC001128463102 1373271779 /nfs/dbraw/zinc/27/17/79/1373271779.db2.gz ANHSEVROERYNIK-TUYSUELWSA-N 1 2 344.503 3.274 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCc1cnn2c1C[N@@H+](CC/C=C\CC)CC2 ZINC001128463102 1373271784 /nfs/dbraw/zinc/27/17/84/1373271784.db2.gz ANHSEVROERYNIK-TUYSUELWSA-N 1 2 344.503 3.274 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCc1cnn2c1C[N@H+](CC/C=C/CC)CC2 ZINC001128463101 1373271901 /nfs/dbraw/zinc/27/19/01/1373271901.db2.gz ANHSEVROERYNIK-LXXRFIIISA-N 1 2 344.503 3.274 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCc1cnn2c1C[N@@H+](CC/C=C/CC)CC2 ZINC001128463101 1373271906 /nfs/dbraw/zinc/27/19/06/1373271906.db2.gz ANHSEVROERYNIK-LXXRFIIISA-N 1 2 344.503 3.274 20 30 EGEDLO C=CCC1(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnsn3)C2)CCCCC1 ZINC001216820048 1373347960 /nfs/dbraw/zinc/34/79/60/1373347960.db2.gz DQADVSKNSGODGQ-GDBMZVCRSA-N 1 2 348.516 3.001 20 30 EGEDLO C=CCn1cccc1C(=O)NCC[NH2+][C@@H](C)c1ncc(C(C)(C)C)o1 ZINC001129509490 1373392275 /nfs/dbraw/zinc/39/22/75/1373392275.db2.gz WPAAMCSBJLGYQX-AWEZNQCLSA-N 1 2 344.459 3.040 20 30 EGEDLO N#Cc1ccc(OCc2ccccc2)cc1O[C@@H]1C[NH2+]CC1(F)F ZINC001218237161 1373581270 /nfs/dbraw/zinc/58/12/70/1373581270.db2.gz SDPCXZFEQOKOHB-QGZVFWFLSA-N 1 2 330.334 3.123 20 30 EGEDLO C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1CC[C@@](C)(Oc3cc(N)cc[nH+]3)[C@@H]12 ZINC001218318148 1373595145 /nfs/dbraw/zinc/59/51/45/1373595145.db2.gz VFYDAFXVWIKGGK-TXJVSEOTSA-N 1 2 340.423 3.419 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc3ccccc3n2C)C1 ZINC001131899054 1375034949 /nfs/dbraw/zinc/03/49/49/1375034949.db2.gz HUCIQGAVHOPXOB-HZPDHXFCSA-N 1 2 340.471 3.009 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2nc3ccccc3n2C)C1 ZINC001131899054 1375034951 /nfs/dbraw/zinc/03/49/51/1375034951.db2.gz HUCIQGAVHOPXOB-HZPDHXFCSA-N 1 2 340.471 3.009 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ncoc2C(C)C)C1 ZINC001131973175 1375078219 /nfs/dbraw/zinc/07/82/19/1375078219.db2.gz YTNRWSXJGSJDAL-IRXDYDNUSA-N 1 2 345.487 3.461 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001131973175 1375078225 /nfs/dbraw/zinc/07/82/25/1375078225.db2.gz YTNRWSXJGSJDAL-IRXDYDNUSA-N 1 2 345.487 3.461 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccncc2Cl)C1 ZINC001132002129 1375092295 /nfs/dbraw/zinc/09/22/95/1375092295.db2.gz HDQFRPOZPDMWKR-ZBFHGGJFSA-N 1 2 333.863 3.008 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccncc2Cl)C1 ZINC001132002129 1375092299 /nfs/dbraw/zinc/09/22/99/1375092299.db2.gz HDQFRPOZPDMWKR-ZBFHGGJFSA-N 1 2 333.863 3.008 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2c(F)cccc2F)C1 ZINC001132017735 1375100843 /nfs/dbraw/zinc/10/08/43/1375100843.db2.gz RXGMRUDNWLQZTE-CABCVRRESA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2c(F)cccc2F)C1 ZINC001132017735 1375100845 /nfs/dbraw/zinc/10/08/45/1375100845.db2.gz RXGMRUDNWLQZTE-CABCVRRESA-N 1 2 334.410 3.093 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1ccc(Cl)nc1 ZINC001132033164 1375107379 /nfs/dbraw/zinc/10/73/79/1375107379.db2.gz BIJWKJHPQFDRRH-HOCLYGCPSA-N 1 2 347.890 3.254 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1ccc(Cl)nc1 ZINC001132033164 1375107381 /nfs/dbraw/zinc/10/73/81/1375107381.db2.gz BIJWKJHPQFDRRH-HOCLYGCPSA-N 1 2 347.890 3.254 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1ccc(F)c(F)c1 ZINC001132034726 1375109273 /nfs/dbraw/zinc/10/92/73/1375109273.db2.gz UQQVFXFDZBXQDZ-ZBFHGGJFSA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1ccc(F)c(F)c1 ZINC001132034726 1375109276 /nfs/dbraw/zinc/10/92/76/1375109276.db2.gz UQQVFXFDZBXQDZ-ZBFHGGJFSA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1ccc(F)cc1F ZINC001132035175 1375109837 /nfs/dbraw/zinc/10/98/37/1375109837.db2.gz YLRJHTOYMOSFLF-RHSMWYFYSA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1ccc(F)cc1F ZINC001132035175 1375109840 /nfs/dbraw/zinc/10/98/40/1375109840.db2.gz YLRJHTOYMOSFLF-RHSMWYFYSA-N 1 2 348.437 3.483 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2nccs2)C1 ZINC001132057478 1375122810 /nfs/dbraw/zinc/12/28/10/1375122810.db2.gz PUATWULNOXEMBR-GOEBONIOSA-N 1 2 333.501 3.381 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2nccs2)C1 ZINC001132057478 1375122821 /nfs/dbraw/zinc/12/28/21/1375122821.db2.gz PUATWULNOXEMBR-GOEBONIOSA-N 1 2 333.501 3.381 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ncc(C)o2)C1 ZINC001132057165 1375122912 /nfs/dbraw/zinc/12/29/12/1375122912.db2.gz KMSAADXFVOEHLM-PBHICJAKSA-N 1 2 331.460 3.221 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ncc(C)o2)C1 ZINC001132057165 1375122916 /nfs/dbraw/zinc/12/29/16/1375122916.db2.gz KMSAADXFVOEHLM-PBHICJAKSA-N 1 2 331.460 3.221 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2coc(C)n2)C1 ZINC001132057640 1375124124 /nfs/dbraw/zinc/12/41/24/1375124124.db2.gz RZDUUDMYZBPJSI-YOEHRIQHSA-N 1 2 331.460 3.221 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2coc(C)n2)C1 ZINC001132057640 1375124126 /nfs/dbraw/zinc/12/41/26/1375124126.db2.gz RZDUUDMYZBPJSI-YOEHRIQHSA-N 1 2 331.460 3.221 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2(COC)CCCCC2)CC[C@@H]1C ZINC001132101758 1375148678 /nfs/dbraw/zinc/14/86/78/1375148678.db2.gz ODOICLMJAXBJPU-JKSUJKDBSA-N 1 2 342.911 3.305 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2(COC)CCCCC2)CC[C@@H]1C ZINC001132101758 1375148680 /nfs/dbraw/zinc/14/86/80/1375148680.db2.gz ODOICLMJAXBJPU-JKSUJKDBSA-N 1 2 342.911 3.305 20 30 EGEDLO CC(=O)c1ccc(O)c(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001225995513 1375186747 /nfs/dbraw/zinc/18/67/47/1375186747.db2.gz RXXWPXZZEJSVRI-SFHVURJKSA-N 1 2 336.391 3.120 20 30 EGEDLO CC(=O)c1ccc(O)c(O[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001225995513 1375186749 /nfs/dbraw/zinc/18/67/49/1375186749.db2.gz RXXWPXZZEJSVRI-SFHVURJKSA-N 1 2 336.391 3.120 20 30 EGEDLO C#Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ncc(C(C)(C)C)o2)cc1 ZINC001132226682 1375221758 /nfs/dbraw/zinc/22/17/58/1375221758.db2.gz KYECYOGLQQFZSN-AWEZNQCLSA-N 1 2 339.439 3.034 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3ccc(F)cn3)C2)CCC1 ZINC001132283016 1375265072 /nfs/dbraw/zinc/26/50/72/1375265072.db2.gz PZQHRBAZBJQRCO-CRAIPNDOSA-N 1 2 345.462 3.436 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3ccc(F)cn3)C2)CCC1 ZINC001132283016 1375265076 /nfs/dbraw/zinc/26/50/76/1375265076.db2.gz PZQHRBAZBJQRCO-CRAIPNDOSA-N 1 2 345.462 3.436 20 30 EGEDLO C#CCCCCC(=O)NC1CC[NH+]([C@H](C)c2nc(C(C)C)no2)CC1 ZINC001226970049 1375375105 /nfs/dbraw/zinc/37/51/05/1375375105.db2.gz SFGPFRLJLHMBLI-OAHLLOKOSA-N 1 2 346.475 3.028 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)COc2ccc(C)cc2)CC[C@H]1C ZINC001132468003 1375409478 /nfs/dbraw/zinc/40/94/78/1375409478.db2.gz LDWGPGUZLXNRMG-HZPDHXFCSA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)COc2ccc(C)cc2)CC[C@H]1C ZINC001132468003 1375409480 /nfs/dbraw/zinc/40/94/80/1375409480.db2.gz LDWGPGUZLXNRMG-HZPDHXFCSA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCOc2ccccc2)CC[C@H]1C ZINC001132500275 1375426973 /nfs/dbraw/zinc/42/69/73/1375426973.db2.gz OTCPRJAMYIXZAQ-CVEARBPZSA-N 1 2 336.863 3.177 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCOc2ccccc2)CC[C@H]1C ZINC001132500275 1375426977 /nfs/dbraw/zinc/42/69/77/1375426977.db2.gz OTCPRJAMYIXZAQ-CVEARBPZSA-N 1 2 336.863 3.177 20 30 EGEDLO C=C(C)CCC(=O)NC1CC[NH+]([C@H](C)c2nnc(CC(C)C)o2)CC1 ZINC001227606957 1375452016 /nfs/dbraw/zinc/45/20/16/1375452016.db2.gz FNTUAIDBVQJZNL-OAHLLOKOSA-N 1 2 348.491 3.266 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3csc(C)n3)C[C@H]21 ZINC001188793239 1388378700 /nfs/dbraw/zinc/37/87/00/1388378700.db2.gz GTJVSGZXSAGWCL-FUHWJXTLSA-N 1 2 345.512 3.068 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]2C[N@H+](Cc3csc(C)n3)C[C@H]21 ZINC001188793239 1388378705 /nfs/dbraw/zinc/37/87/05/1388378705.db2.gz GTJVSGZXSAGWCL-FUHWJXTLSA-N 1 2 345.512 3.068 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2cc(Cl)nnc2Cl)C1 ZINC001227648477 1375459398 /nfs/dbraw/zinc/45/93/98/1375459398.db2.gz CAQHWLVFBWQROW-ZDUSSCGKSA-N 1 2 349.221 3.308 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2cc(Cl)nnc2Cl)C1 ZINC001227648477 1375459399 /nfs/dbraw/zinc/45/93/99/1375459399.db2.gz CAQHWLVFBWQROW-ZDUSSCGKSA-N 1 2 349.221 3.308 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H](C)c2noc(C)n2)CCC1 ZINC001228406789 1375567198 /nfs/dbraw/zinc/56/71/98/1375567198.db2.gz RPNNAHCFTZENCF-FVQBIDKESA-N 1 2 346.475 3.202 20 30 EGEDLO N#CCc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001132815695 1375579603 /nfs/dbraw/zinc/57/96/03/1375579603.db2.gz RCXHQEBXOMNLLH-IBGZPJMESA-N 1 2 330.391 3.120 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC1CC[NH+]([C@H](C)c2nc(C(C)C)no2)CC1 ZINC001228595974 1375609721 /nfs/dbraw/zinc/60/97/21/1375609721.db2.gz CQQZFDYQMNSYGF-CQSZACIVSA-N 1 2 348.491 3.437 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3csc(CC)n3)C[C@H]21 ZINC001188897041 1388404112 /nfs/dbraw/zinc/40/41/12/1388404112.db2.gz RDBZNYXYHGSXHV-HLLBOEOZSA-N 1 2 347.528 3.341 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](Cc3csc(CC)n3)C[C@H]21 ZINC001188897041 1388404117 /nfs/dbraw/zinc/40/41/17/1388404117.db2.gz RDBZNYXYHGSXHV-HLLBOEOZSA-N 1 2 347.528 3.341 20 30 EGEDLO CCOC[C@@H](C)Oc1nc(C)c(-c2ccc3[nH+]ccn3c2)cc1C#N ZINC001229768323 1375889995 /nfs/dbraw/zinc/88/99/95/1375889995.db2.gz LHUBYSJBXPALJB-CYBMUJFWSA-N 1 2 336.395 3.380 20 30 EGEDLO C=C[C@H](CC)Oc1nc(=O)[nH]c2c1CC[N@H+](Cc1ccccc1)C2 ZINC001230187972 1375959063 /nfs/dbraw/zinc/95/90/63/1375959063.db2.gz DXLCBRHXCLHBQV-OAHLLOKOSA-N 1 2 325.412 3.084 20 30 EGEDLO C=C[C@H](CC)Oc1nc(=O)[nH]c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001230187972 1375959066 /nfs/dbraw/zinc/95/90/66/1375959066.db2.gz DXLCBRHXCLHBQV-OAHLLOKOSA-N 1 2 325.412 3.084 20 30 EGEDLO C=C[C@H](C(=O)NC1CC[NH+](Cc2coc(C)n2)CC1)c1ccccc1 ZINC001230331925 1375999163 /nfs/dbraw/zinc/99/91/63/1375999163.db2.gz JVUXJKUISHATET-IBGZPJMESA-N 1 2 339.439 3.033 20 30 EGEDLO CC(C)C[C@H](C)OCCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230569372 1376081328 /nfs/dbraw/zinc/08/13/28/1376081328.db2.gz KYJRBNLQLGXQAF-HKUYNNGSSA-N 1 2 349.519 3.054 20 30 EGEDLO CC(C)C[C@H](C)OCCC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001230569372 1376081338 /nfs/dbraw/zinc/08/13/38/1376081338.db2.gz KYJRBNLQLGXQAF-HKUYNNGSSA-N 1 2 349.519 3.054 20 30 EGEDLO C/C(=C\C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C1CC1 ZINC001230948625 1376185563 /nfs/dbraw/zinc/18/55/63/1376185563.db2.gz OZXXQXDDCRQHFJ-BMQCOBNYSA-N 1 2 329.469 3.009 20 30 EGEDLO C/C(=C\C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C1CC1 ZINC001230948625 1376185565 /nfs/dbraw/zinc/18/55/65/1376185565.db2.gz OZXXQXDDCRQHFJ-BMQCOBNYSA-N 1 2 329.469 3.009 20 30 EGEDLO C[N@H+](CCc1cccc(C(F)(F)F)n1)Cc1cc(C#N)ccc1O ZINC001232673308 1376498770 /nfs/dbraw/zinc/49/87/70/1376498770.db2.gz DKLNEVMLKBCJOL-UHFFFAOYSA-N 1 2 335.329 3.352 20 30 EGEDLO C[N@@H+](CCc1cccc(C(F)(F)F)n1)Cc1cc(C#N)ccc1O ZINC001232673308 1376498775 /nfs/dbraw/zinc/49/87/75/1376498775.db2.gz DKLNEVMLKBCJOL-UHFFFAOYSA-N 1 2 335.329 3.352 20 30 EGEDLO COc1cc2c(cc1OC)[C@@H](C[N@H+](C)Cc1cc(C#N)ccc1O)C2 ZINC001232678434 1376499858 /nfs/dbraw/zinc/49/98/58/1376499858.db2.gz ZDCJGOABDASNIR-OAHLLOKOSA-N 1 2 338.407 3.053 20 30 EGEDLO COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)Cc1cc(C#N)ccc1O)C2 ZINC001232678434 1376499860 /nfs/dbraw/zinc/49/98/60/1376499860.db2.gz ZDCJGOABDASNIR-OAHLLOKOSA-N 1 2 338.407 3.053 20 30 EGEDLO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232679565 1376500241 /nfs/dbraw/zinc/50/02/41/1376500241.db2.gz NSTRXCOLDYGFKB-QGZVFWFLSA-N 1 2 338.407 3.316 20 30 EGEDLO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232679565 1376500247 /nfs/dbraw/zinc/50/02/47/1376500247.db2.gz NSTRXCOLDYGFKB-QGZVFWFLSA-N 1 2 338.407 3.316 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1)C(=O)CC1CCC1 ZINC001233518960 1376659980 /nfs/dbraw/zinc/65/99/80/1376659980.db2.gz CXUTYQNVUPMAIJ-IBGZPJMESA-N 1 2 344.886 3.414 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1)C(=O)CC1CCC1 ZINC001233518960 1376659995 /nfs/dbraw/zinc/65/99/95/1376659995.db2.gz CXUTYQNVUPMAIJ-IBGZPJMESA-N 1 2 344.886 3.414 20 30 EGEDLO CC[C@@H](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001233927085 1376738752 /nfs/dbraw/zinc/73/87/52/1376738752.db2.gz VTPVYWLNEOGYKE-PBHICJAKSA-N 1 2 331.435 3.166 20 30 EGEDLO CC[C@@H](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001233927085 1376738754 /nfs/dbraw/zinc/73/87/54/1376738754.db2.gz VTPVYWLNEOGYKE-PBHICJAKSA-N 1 2 331.435 3.166 20 30 EGEDLO CCCC[C@@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001234049395 1376759674 /nfs/dbraw/zinc/75/96/74/1376759674.db2.gz HKKIVALDQCJWIA-HUUCEWRRSA-N 1 2 333.501 3.479 20 30 EGEDLO CCCC[C@@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001234049395 1376759678 /nfs/dbraw/zinc/75/96/78/1376759678.db2.gz HKKIVALDQCJWIA-HUUCEWRRSA-N 1 2 333.501 3.479 20 30 EGEDLO CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234196314 1376784479 /nfs/dbraw/zinc/78/44/79/1376784479.db2.gz RDSUZRKQYJAOAZ-VQIMIIECSA-N 1 2 346.421 3.362 20 30 EGEDLO CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234196314 1376784481 /nfs/dbraw/zinc/78/44/81/1376784481.db2.gz RDSUZRKQYJAOAZ-VQIMIIECSA-N 1 2 346.421 3.362 20 30 EGEDLO CCc1noc(C2CC[NH+](Cc3c(F)cc(C#N)cc3F)CC2)n1 ZINC001235665741 1376883739 /nfs/dbraw/zinc/88/37/39/1376883739.db2.gz XLOAZQAOVULSJR-UHFFFAOYSA-N 1 2 332.354 3.161 20 30 EGEDLO C=CC1(CC(=O)NCC[NH2+]Cc2nc(CCCC)no2)CCCCC1 ZINC001135190964 1376963566 /nfs/dbraw/zinc/96/35/66/1376963566.db2.gz QFCVNXPFZZLWNA-UHFFFAOYSA-N 1 2 348.491 3.145 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cnn(C(C)C)c1)CCO2 ZINC001137077829 1377474011 /nfs/dbraw/zinc/47/40/11/1377474011.db2.gz LIGJFPVPDKQJCT-RTBURBONSA-N 1 2 333.476 3.038 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1cnn(C(C)C)c1)CCO2 ZINC001137077829 1377474012 /nfs/dbraw/zinc/47/40/12/1377474012.db2.gz LIGJFPVPDKQJCT-RTBURBONSA-N 1 2 333.476 3.038 20 30 EGEDLO Cc1cccc2c(C[NH+]3CCN(c4ccc(C#N)cc4F)CC3)[nH]nc21 ZINC001137149122 1377485712 /nfs/dbraw/zinc/48/57/12/1377485712.db2.gz GJFAQBBIIQDIKD-UHFFFAOYSA-N 1 2 349.413 3.204 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCc1cccc(F)c1F ZINC001272184656 1377661879 /nfs/dbraw/zinc/66/18/79/1377661879.db2.gz CHQHYOVRGCJIBL-UHFFFAOYSA-N 1 2 330.806 3.040 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCc1cccc(F)c1F ZINC001272184656 1377661881 /nfs/dbraw/zinc/66/18/81/1377661881.db2.gz CHQHYOVRGCJIBL-UHFFFAOYSA-N 1 2 330.806 3.040 20 30 EGEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2Br)OCO3)CC1 ZINC001138184847 1377688759 /nfs/dbraw/zinc/68/87/59/1377688759.db2.gz FCCWGTRYZSJSDZ-LLVKDONJSA-N 1 2 337.217 3.303 20 30 EGEDLO N#C[C@@H]1CCC[N@H+](Cc2cc3c(cc2Br)OCO3)CC1 ZINC001138184847 1377688762 /nfs/dbraw/zinc/68/87/62/1377688762.db2.gz FCCWGTRYZSJSDZ-LLVKDONJSA-N 1 2 337.217 3.303 20 30 EGEDLO C#CCOc1ccc(C[N@@H+]2CCCC(F)(F)[C@H](F)C2)cc1OC ZINC001138343684 1377706129 /nfs/dbraw/zinc/70/61/29/1377706129.db2.gz NWPYIHHPYDYYOF-MRXNPFEDSA-N 1 2 327.346 3.276 20 30 EGEDLO C#CCOc1ccc(C[N@H+]2CCCC(F)(F)[C@H](F)C2)cc1OC ZINC001138343684 1377706131 /nfs/dbraw/zinc/70/61/31/1377706131.db2.gz NWPYIHHPYDYYOF-MRXNPFEDSA-N 1 2 327.346 3.276 20 30 EGEDLO C#CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)on2)cc1OC ZINC001138341706 1377706518 /nfs/dbraw/zinc/70/65/18/1377706518.db2.gz UPTASCHRXIIANW-QGZVFWFLSA-N 1 2 326.396 3.341 20 30 EGEDLO C#CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C)on2)cc1OC ZINC001138341706 1377706520 /nfs/dbraw/zinc/70/65/20/1377706520.db2.gz UPTASCHRXIIANW-QGZVFWFLSA-N 1 2 326.396 3.341 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC)C1 ZINC001138485396 1377731678 /nfs/dbraw/zinc/73/16/78/1377731678.db2.gz QAQBAPLJQAOKME-HNNXBMFYSA-N 1 2 338.835 3.225 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC)C1 ZINC001138485396 1377731679 /nfs/dbraw/zinc/73/16/79/1377731679.db2.gz QAQBAPLJQAOKME-HNNXBMFYSA-N 1 2 338.835 3.225 20 30 EGEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cnc(Cl)c(C)c3)C2)CC1 ZINC001139540952 1377901862 /nfs/dbraw/zinc/90/18/62/1377901862.db2.gz LVZZQVDBCGBAGC-UHFFFAOYSA-N 1 2 349.862 3.264 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2c[nH]c3c2cccc3C#N)CC1 ZINC001139701876 1377937850 /nfs/dbraw/zinc/93/78/50/1377937850.db2.gz RJDXRGCPSDNPTI-UHFFFAOYSA-N 1 2 340.427 3.092 20 30 EGEDLO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)cc1C#N ZINC001139724895 1377942013 /nfs/dbraw/zinc/94/20/13/1377942013.db2.gz UJLHGDXJPIIDKJ-IRXDYDNUSA-N 1 2 327.428 3.060 20 30 EGEDLO Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)cc1C#N ZINC001139724895 1377942014 /nfs/dbraw/zinc/94/20/14/1377942014.db2.gz UJLHGDXJPIIDKJ-IRXDYDNUSA-N 1 2 327.428 3.060 20 30 EGEDLO CC(=O)c1ccc(N2CC[NH+](Cc3ccc(C)c(C#N)c3)CC2)cc1 ZINC001139726611 1377942072 /nfs/dbraw/zinc/94/20/72/1377942072.db2.gz VPHMDIUQFKCYHD-UHFFFAOYSA-N 1 2 333.435 3.392 20 30 EGEDLO N#Cc1cc(F)cc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC001139872268 1377967895 /nfs/dbraw/zinc/96/78/95/1377967895.db2.gz CQHOFOWEAQVZQO-UHFFFAOYSA-N 1 2 327.378 3.154 20 30 EGEDLO N#Cc1cc(F)cc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c1 ZINC001139876382 1377969407 /nfs/dbraw/zinc/96/94/07/1377969407.db2.gz VIYVEEBSFAGNNY-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cc(F)cc(C#N)c1)CCO2 ZINC001139874522 1377969457 /nfs/dbraw/zinc/96/94/57/1377969457.db2.gz BAWRESQLGYTHGB-UYAOXDASSA-N 1 2 344.430 3.271 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1cc(F)cc(C#N)c1)CCO2 ZINC001139874522 1377969459 /nfs/dbraw/zinc/96/94/59/1377969459.db2.gz BAWRESQLGYTHGB-UYAOXDASSA-N 1 2 344.430 3.271 20 30 EGEDLO N#Cc1cc(F)cc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)c1 ZINC001139875359 1377969647 /nfs/dbraw/zinc/96/96/47/1377969647.db2.gz ZFLNDQRVURQUFW-UHFFFAOYSA-N 1 2 336.370 3.161 20 30 EGEDLO COc1ccc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)c(OC)n1 ZINC001139919859 1377976890 /nfs/dbraw/zinc/97/68/90/1377976890.db2.gz QRFXGSFMOPBOSY-UHFFFAOYSA-N 1 2 337.423 3.156 20 30 EGEDLO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1csc(Cl)n1)CC2 ZINC001139977140 1377985978 /nfs/dbraw/zinc/98/59/78/1377985978.db2.gz KCDJGGGKFRDISR-INIZCTEOSA-N 1 2 339.892 3.330 20 30 EGEDLO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1csc(Cl)n1)CC2 ZINC001139977140 1377985981 /nfs/dbraw/zinc/98/59/81/1377985981.db2.gz KCDJGGGKFRDISR-INIZCTEOSA-N 1 2 339.892 3.330 20 30 EGEDLO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3cnc(Cl)nc3)C2)c1 ZINC001139991832 1377988582 /nfs/dbraw/zinc/98/85/82/1377988582.db2.gz LFIRMIBDOMYNJV-INIZCTEOSA-N 1 2 328.803 3.045 20 30 EGEDLO N#Cc1cccc(O[C@H]2CCC[N@H+](Cc3cnc(Cl)nc3)C2)c1 ZINC001139991832 1377988583 /nfs/dbraw/zinc/98/85/83/1377988583.db2.gz LFIRMIBDOMYNJV-INIZCTEOSA-N 1 2 328.803 3.045 20 30 EGEDLO Cc1cc2ccccc2nc1N1CC[NH+](Cc2ccc(C#N)nc2)CC1 ZINC001140545646 1378082780 /nfs/dbraw/zinc/08/27/80/1378082780.db2.gz IFIRZGSBWDANKL-UHFFFAOYSA-N 1 2 343.434 3.132 20 30 EGEDLO C[C@@](O)(C1CC[NH+](Cc2cc(F)c(C#N)c(F)c2)CC1)C(F)(F)F ZINC001140756305 1378131363 /nfs/dbraw/zinc/13/13/63/1378131363.db2.gz JLQWNCBYOYLVMN-OAHLLOKOSA-N 1 2 348.315 3.362 20 30 EGEDLO CC(C)(C)OC(=O)NCC1C[NH+](Cc2cccc(C#N)c2Cl)C1 ZINC001140807822 1378147009 /nfs/dbraw/zinc/14/70/09/1378147009.db2.gz HAJSGNZVXZWTMX-UHFFFAOYSA-N 1 2 335.835 3.168 20 30 EGEDLO N#Cc1c(N)sc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1Cl ZINC001141112815 1378241834 /nfs/dbraw/zinc/24/18/34/1378241834.db2.gz NJSDMFVNFXJKRB-UHFFFAOYSA-N 1 2 349.843 3.215 20 30 EGEDLO N#Cc1c(N)sc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)c1Cl ZINC001141112815 1378241841 /nfs/dbraw/zinc/24/18/41/1378241841.db2.gz NJSDMFVNFXJKRB-UHFFFAOYSA-N 1 2 349.843 3.215 20 30 EGEDLO COc1cccnc1O[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC001141167461 1378257259 /nfs/dbraw/zinc/25/72/59/1378257259.db2.gz KXFCDHXHKRTDCO-QGZVFWFLSA-N 1 2 341.386 3.144 20 30 EGEDLO COc1cccnc1O[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC001141167461 1378257263 /nfs/dbraw/zinc/25/72/63/1378257263.db2.gz KXFCDHXHKRTDCO-QGZVFWFLSA-N 1 2 341.386 3.144 20 30 EGEDLO CSc1nc(C[NH+]2CCC(Oc3ccncc3)CC2)ccc1C#N ZINC001141931481 1378395932 /nfs/dbraw/zinc/39/59/32/1378395932.db2.gz ADAZFHYUIAGZCU-UHFFFAOYSA-N 1 2 340.452 3.114 20 30 EGEDLO CSc1nc(C[N@@H+]2CC[C@@H]2COCc2ccccc2)ccc1C#N ZINC001141940059 1378396589 /nfs/dbraw/zinc/39/65/89/1378396589.db2.gz ZYWARHOXEFWZIX-GOSISDBHSA-N 1 2 339.464 3.466 20 30 EGEDLO CSc1nc(C[N@H+]2CC[C@@H]2COCc2ccccc2)ccc1C#N ZINC001141940059 1378396590 /nfs/dbraw/zinc/39/65/90/1378396590.db2.gz ZYWARHOXEFWZIX-GOSISDBHSA-N 1 2 339.464 3.466 20 30 EGEDLO C#C[C@H]1CCC[N@@H+](Cc2c(F)ccc(Br)c2OC)C1 ZINC001142893120 1378506302 /nfs/dbraw/zinc/50/63/02/1378506302.db2.gz OCCDJNFYZBYAGP-NSHDSACASA-N 1 2 326.209 3.442 20 30 EGEDLO C#C[C@H]1CCC[N@H+](Cc2c(F)ccc(Br)c2OC)C1 ZINC001142893120 1378506304 /nfs/dbraw/zinc/50/63/04/1378506304.db2.gz OCCDJNFYZBYAGP-NSHDSACASA-N 1 2 326.209 3.442 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2ccccc2Cl)C1 ZINC001282745641 1378597478 /nfs/dbraw/zinc/59/74/78/1378597478.db2.gz VRSOPMFODCGVHZ-LBPRGKRZSA-N 1 2 327.255 3.072 20 30 EGEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001143723062 1378639085 /nfs/dbraw/zinc/63/90/85/1378639085.db2.gz BDVRSCSLMVQXAY-ROUUACIJSA-N 1 2 343.858 3.187 20 30 EGEDLO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001143723062 1378639087 /nfs/dbraw/zinc/63/90/87/1378639087.db2.gz BDVRSCSLMVQXAY-ROUUACIJSA-N 1 2 343.858 3.187 20 30 EGEDLO COc1ncc(C[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)cc1F ZINC001144466848 1378735127 /nfs/dbraw/zinc/73/51/27/1378735127.db2.gz RXGIJYLIIVQQEP-MRXNPFEDSA-N 1 2 341.386 3.144 20 30 EGEDLO COc1ncc(C[N@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)cc1F ZINC001144466848 1378735128 /nfs/dbraw/zinc/73/51/28/1378735128.db2.gz RXGIJYLIIVQQEP-MRXNPFEDSA-N 1 2 341.386 3.144 20 30 EGEDLO CC[C@@H](C)CC(=O)N1CC2(C1)CC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001147451554 1379024493 /nfs/dbraw/zinc/02/44/93/1379024493.db2.gz WBSGPDPISSQMMU-OAHLLOKOSA-N 1 2 343.446 3.168 20 30 EGEDLO CC[C@@H](C)CC(=O)N1CC2(C1)CC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001147451554 1379024495 /nfs/dbraw/zinc/02/44/95/1379024495.db2.gz WBSGPDPISSQMMU-OAHLLOKOSA-N 1 2 343.446 3.168 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C\Cl)C2 ZINC001148088133 1379114154 /nfs/dbraw/zinc/11/41/54/1379114154.db2.gz IOXKYBMRLUIUJO-DKZLBQRBSA-N 1 2 331.287 3.298 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](C/C(Cl)=C\Cl)C2 ZINC001148088133 1379114160 /nfs/dbraw/zinc/11/41/60/1379114160.db2.gz IOXKYBMRLUIUJO-DKZLBQRBSA-N 1 2 331.287 3.298 20 30 EGEDLO CC#CCCCC(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C\Cl)C2 ZINC001148110812 1379119926 /nfs/dbraw/zinc/11/99/26/1379119926.db2.gz HBUXZMZSBIPICX-NTEUORMPSA-N 1 2 329.271 3.033 20 30 EGEDLO CC#CCCCC(=O)N1CC2(C1)CC[N@@H+](C/C(Cl)=C\Cl)C2 ZINC001148110812 1379119927 /nfs/dbraw/zinc/11/99/27/1379119927.db2.gz HBUXZMZSBIPICX-NTEUORMPSA-N 1 2 329.271 3.033 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C\Cl)C2 ZINC001148146767 1379124553 /nfs/dbraw/zinc/12/45/53/1379124553.db2.gz ITBPMKYNHKUZQI-PZMUVPOTSA-N 1 2 331.287 3.442 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](C/C(Cl)=C\Cl)C2 ZINC001148146767 1379124554 /nfs/dbraw/zinc/12/45/54/1379124554.db2.gz ITBPMKYNHKUZQI-PZMUVPOTSA-N 1 2 331.287 3.442 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nnc(C)s1)C2 ZINC001148363745 1379156735 /nfs/dbraw/zinc/15/67/35/1379156735.db2.gz MWBUGRVMSWWVLS-ZDUSSCGKSA-N 1 2 348.516 3.044 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nnc(C)s1)C2 ZINC001148363745 1379156737 /nfs/dbraw/zinc/15/67/37/1379156737.db2.gz MWBUGRVMSWWVLS-ZDUSSCGKSA-N 1 2 348.516 3.044 20 30 EGEDLO CCCCCCCCCCC(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001148751829 1379260531 /nfs/dbraw/zinc/26/05/31/1379260531.db2.gz SUWOFLLIMFTBET-UHFFFAOYSA-N 1 2 338.496 3.369 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C(C)(C)C2CCCC2)C1 ZINC001149854443 1379456433 /nfs/dbraw/zinc/45/64/33/1379456433.db2.gz KLTLBZWEMBBOMI-INIZCTEOSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C(C)(C)C2CCCC2)C1 ZINC001149854443 1379456438 /nfs/dbraw/zinc/45/64/38/1379456438.db2.gz KLTLBZWEMBBOMI-INIZCTEOSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001150589110 1379574464 /nfs/dbraw/zinc/57/44/64/1379574464.db2.gz SYLPCWSSZLSTSH-HOCLYGCPSA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001150589110 1379574467 /nfs/dbraw/zinc/57/44/67/1379574467.db2.gz SYLPCWSSZLSTSH-HOCLYGCPSA-N 1 2 344.927 3.408 20 30 EGEDLO C=CC[C@H](C(=O)NCC[NH2+]Cc1ncc(C2CC2)o1)c1ccccc1 ZINC001151838414 1379793764 /nfs/dbraw/zinc/79/37/64/1379793764.db2.gz SIGHBKFICRRYJT-KRWDZBQOSA-N 1 2 339.439 3.118 20 30 EGEDLO CC[N@H+](Cc1csc(C2CCCC2)n1)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152419642 1379930531 /nfs/dbraw/zinc/93/05/31/1379930531.db2.gz DRXUIOYVMQUBEN-ZIAGYGMSSA-N 1 2 348.516 3.287 20 30 EGEDLO CC[N@@H+](Cc1csc(C2CCCC2)n1)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152419642 1379930532 /nfs/dbraw/zinc/93/05/32/1379930532.db2.gz DRXUIOYVMQUBEN-ZIAGYGMSSA-N 1 2 348.516 3.287 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@H]1CC1(C)C ZINC001152801706 1379982125 /nfs/dbraw/zinc/98/21/25/1379982125.db2.gz BOVZLFAGPOTBNQ-CXAGYDPISA-N 1 2 331.435 3.070 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@H]1CC1(C)C ZINC001152801706 1379982126 /nfs/dbraw/zinc/98/21/26/1379982126.db2.gz BOVZLFAGPOTBNQ-CXAGYDPISA-N 1 2 331.435 3.070 20 30 EGEDLO C#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1csc(CCC)n1 ZINC001153025388 1380010468 /nfs/dbraw/zinc/01/04/68/1380010468.db2.gz UNTIRLGDCGPQOV-OAHLLOKOSA-N 1 2 335.517 3.226 20 30 EGEDLO C#CCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1csc(CCC)n1 ZINC001153025388 1380010470 /nfs/dbraw/zinc/01/04/70/1380010470.db2.gz UNTIRLGDCGPQOV-OAHLLOKOSA-N 1 2 335.517 3.226 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@]1(C)CC=CCC1 ZINC001153560749 1380093534 /nfs/dbraw/zinc/09/35/34/1380093534.db2.gz IBFOAVXXESXYOF-GDBMZVCRSA-N 1 2 343.309 3.468 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@]1(C)CC=CCC1 ZINC001153560749 1380093538 /nfs/dbraw/zinc/09/35/38/1380093538.db2.gz IBFOAVXXESXYOF-GDBMZVCRSA-N 1 2 343.309 3.468 20 30 EGEDLO C=CCC[C@@H](C(=O)NCC[NH2+][C@@H](C)c1csnn1)c1ccccc1 ZINC001153824210 1380137257 /nfs/dbraw/zinc/13/72/57/1380137257.db2.gz ACQORRLTKQSIJS-GOEBONIOSA-N 1 2 344.484 3.055 20 30 EGEDLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C2(C#N)CC(C)C2)CC1 ZINC001154160027 1380218811 /nfs/dbraw/zinc/21/88/11/1380218811.db2.gz JNYBDIJGTGYDCW-RVSXGSNBSA-N 1 2 343.446 3.361 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2nc(C)c(C)o2)CCC1 ZINC001155061805 1380400909 /nfs/dbraw/zinc/40/09/09/1380400909.db2.gz JBCQHRYTHLKCNO-CQSZACIVSA-N 1 2 333.476 3.364 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2nc(C)c(C)o2)CCC1 ZINC001155061805 1380400910 /nfs/dbraw/zinc/40/09/10/1380400910.db2.gz JBCQHRYTHLKCNO-CQSZACIVSA-N 1 2 333.476 3.364 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@H](C)C(C)C ZINC001155581525 1380470464 /nfs/dbraw/zinc/47/04/64/1380470464.db2.gz TVJURHUVWSGACP-HUUCEWRRSA-N 1 2 333.451 3.316 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@H](C)C(C)C ZINC001155581525 1380470465 /nfs/dbraw/zinc/47/04/65/1380470465.db2.gz TVJURHUVWSGACP-HUUCEWRRSA-N 1 2 333.451 3.316 20 30 EGEDLO N#CCc1ccc(OCc2ccc(NCc3cc[nH+]c(N)c3)nc2)cc1 ZINC001156760695 1380628854 /nfs/dbraw/zinc/62/88/54/1380628854.db2.gz NZQXDPJXQUTIRR-UHFFFAOYSA-N 1 2 345.406 3.316 20 30 EGEDLO N#Cc1ccc2cc[nH+]c(NCCCCCCN3C(=O)C=CC3=O)c2c1 ZINC001157330872 1380843670 /nfs/dbraw/zinc/84/36/70/1380843670.db2.gz IOVRMKPDQWITRL-UHFFFAOYSA-N 1 2 348.406 3.004 20 30 EGEDLO N#Cc1ccc2cc[nH+]c(NCc3ccc(OC4COC4)cc3)c2c1 ZINC001157667987 1380994506 /nfs/dbraw/zinc/99/45/06/1380994506.db2.gz ICQZRPATAJZXIA-UHFFFAOYSA-N 1 2 331.375 3.496 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@@H](C)c1nnc(CC)o1 ZINC001158011772 1381102302 /nfs/dbraw/zinc/10/23/02/1381102302.db2.gz OQFCIPAMEDKGCQ-JKSUJKDBSA-N 1 2 348.491 3.362 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@@H](C)c1nnc(CC)o1 ZINC001158011772 1381102305 /nfs/dbraw/zinc/10/23/05/1381102305.db2.gz OQFCIPAMEDKGCQ-JKSUJKDBSA-N 1 2 348.491 3.362 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cc(C)on1 ZINC001158369224 1381220165 /nfs/dbraw/zinc/22/01/65/1381220165.db2.gz DVKBWAYRNRNGHY-FUHWJXTLSA-N 1 2 333.476 3.398 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cc(C)on1 ZINC001158369224 1381220172 /nfs/dbraw/zinc/22/01/72/1381220172.db2.gz DVKBWAYRNRNGHY-FUHWJXTLSA-N 1 2 333.476 3.398 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@H+](Cc2ccn(CC)n2)CC1 ZINC001160242073 1382045348 /nfs/dbraw/zinc/04/53/48/1382045348.db2.gz CLTUMZLXWTZTQV-UHFFFAOYSA-N 1 2 344.503 3.144 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@@H+](Cc2ccn(CC)n2)CC1 ZINC001160242073 1382045352 /nfs/dbraw/zinc/04/53/52/1382045352.db2.gz CLTUMZLXWTZTQV-UHFFFAOYSA-N 1 2 344.503 3.144 20 30 EGEDLO C=CCn1cc(Nc2ccc(O[C@H]3CC[NH2+]CC3(F)F)cc2)cn1 ZINC001160349155 1382079466 /nfs/dbraw/zinc/07/94/66/1382079466.db2.gz DCGFDMOPIUHYQY-INIZCTEOSA-N 1 2 334.370 3.189 20 30 EGEDLO Cc1ccnc(NC2CC[NH+](CC(=O)c3ccccc3)CC2)c1C#N ZINC001161143695 1382317054 /nfs/dbraw/zinc/31/70/54/1382317054.db2.gz VPZJKUXFOWAGEE-UHFFFAOYSA-N 1 2 334.423 3.021 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1=CC[N@H+](Cc2coc(C)n2)CC1 ZINC001161343550 1382376193 /nfs/dbraw/zinc/37/61/93/1382376193.db2.gz IVAGYMNCBOYAJI-UHFFFAOYSA-N 1 2 331.460 3.224 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2coc(C)n2)CC1 ZINC001161343550 1382376196 /nfs/dbraw/zinc/37/61/96/1382376196.db2.gz IVAGYMNCBOYAJI-UHFFFAOYSA-N 1 2 331.460 3.224 20 30 EGEDLO N#Cc1cc(C(F)(F)NCc2ccc3[nH+]ccn3c2)cnc1Cl ZINC001163138883 1382975059 /nfs/dbraw/zinc/97/50/59/1382975059.db2.gz CGXXRQKXXUAGTJ-UHFFFAOYSA-N 1 2 333.729 3.093 20 30 EGEDLO N#Cc1cc(NCc2ccc3[nH+]ccn3c2)nc2ccc([N+](=O)[O-])cc12 ZINC001163140382 1382975565 /nfs/dbraw/zinc/97/55/65/1382975565.db2.gz DCICQNSVIYQPST-UHFFFAOYSA-N 1 2 344.334 3.274 20 30 EGEDLO N#CC[C@@H]1CCCN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C1 ZINC001165074103 1383222226 /nfs/dbraw/zinc/22/22/26/1383222226.db2.gz KHLJKSJXPQJHHT-SFHVURJKSA-N 1 2 347.466 3.165 20 30 EGEDLO N#CC[C@@H]1CCCN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C1 ZINC001165074103 1383222228 /nfs/dbraw/zinc/22/22/28/1383222228.db2.gz KHLJKSJXPQJHHT-SFHVURJKSA-N 1 2 347.466 3.165 20 30 EGEDLO COCC(C)(C)Nc1cc(/C=N/[S@](=O)C(C)(C)C)cc(C)[nH+]1 ZINC001165984049 1383373647 /nfs/dbraw/zinc/37/36/47/1383373647.db2.gz XAGPTQWPCNETQI-IHSQGBLNSA-N 1 2 325.478 3.108 20 30 EGEDLO COC(=O)c1cc(C[N@H+](CCC#N)CCC(C)C)cc(C(=O)OC)c1 ZINC001167558075 1383668298 /nfs/dbraw/zinc/66/82/98/1383668298.db2.gz FHOSTYKWGPUHQT-UHFFFAOYSA-N 1 2 346.427 3.022 20 30 EGEDLO COC(=O)c1cc(C[N@@H+](CCC#N)CCC(C)C)cc(C(=O)OC)c1 ZINC001167558075 1383668299 /nfs/dbraw/zinc/66/82/99/1383668299.db2.gz FHOSTYKWGPUHQT-UHFFFAOYSA-N 1 2 346.427 3.022 20 30 EGEDLO C=CCn1ccc2c1nc[nH+]c2NC1=C(C(=O)OCC)CCCC1 ZINC001168560497 1383936915 /nfs/dbraw/zinc/93/69/15/1383936915.db2.gz VWIQSVDOWMJXCS-UHFFFAOYSA-N 1 2 326.400 3.420 20 30 EGEDLO O=C(C=CNc1c[nH+]c2cccc(Br)n12)C(F)(F)F ZINC001169475985 1384151793 /nfs/dbraw/zinc/15/17/93/1384151793.db2.gz NGBHCPMLOUCYIP-SNAWJCMRSA-N 1 2 334.095 3.154 20 30 EGEDLO CCOC(=O)c1n[nH]c([C@@H](CC(C)C)[NH2+]C2CCC(C)(C#N)CC2)n1 ZINC001308844386 1384154530 /nfs/dbraw/zinc/15/45/30/1384154530.db2.gz KMSDIGGCDQNAHH-TXKKKEFDSA-N 1 2 347.463 3.131 20 30 EGEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169972620 1384207921 /nfs/dbraw/zinc/20/79/21/1384207921.db2.gz AVTKBBXTYNWRPS-HNNXBMFYSA-N 1 2 326.481 3.131 20 30 EGEDLO COC(=O)c1cc(C#N)ccc1NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001171185223 1384463162 /nfs/dbraw/zinc/46/31/62/1384463162.db2.gz UJQYKLZKIRSXKZ-UHFFFAOYSA-N 1 2 345.358 3.241 20 30 EGEDLO CC(C)(CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1)C1CC1 ZINC001316975010 1384735223 /nfs/dbraw/zinc/73/52/23/1384735223.db2.gz APGYYOZXRVBQOJ-QGZVFWFLSA-N 1 2 343.446 3.214 20 30 EGEDLO CC(C)(CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1)C1CC1 ZINC001316975010 1384735224 /nfs/dbraw/zinc/73/52/24/1384735224.db2.gz APGYYOZXRVBQOJ-QGZVFWFLSA-N 1 2 343.446 3.214 20 30 EGEDLO CCCCCCC[C@@H](CC)[NH2+][C@@H](CC(N)=O)C(=O)OC(C)(C)C ZINC001172346147 1384774658 /nfs/dbraw/zinc/77/46/58/1384774658.db2.gz GKQBJHPTGBFKRY-CABCVRRESA-N 1 2 328.497 3.301 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCCC2(F)F)C[C@H]1C#N ZINC001172976947 1384894487 /nfs/dbraw/zinc/89/44/87/1384894487.db2.gz XTONNLMBRSYFOE-HZSPNIEDSA-N 1 2 343.418 3.446 20 30 EGEDLO Cc1cccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c1C#N ZINC001174431981 1385108132 /nfs/dbraw/zinc/10/81/32/1385108132.db2.gz HCVWYJMQUXKTOJ-UHFFFAOYSA-N 1 2 337.423 3.321 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)Cc1cccc2cccnc21)C1CC1 ZINC001317555236 1385322116 /nfs/dbraw/zinc/32/21/16/1385322116.db2.gz TUCUYCAJKJCIDA-UHFFFAOYSA-N 1 2 343.858 3.110 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cc1cccc2cccnc21)C1CC1 ZINC001317555236 1385322121 /nfs/dbraw/zinc/32/21/21/1385322121.db2.gz TUCUYCAJKJCIDA-UHFFFAOYSA-N 1 2 343.858 3.110 20 30 EGEDLO Nc1ccccc1C(NO)=[NH+]c1ccc(OCc2ccccc2)nc1 ZINC001176305578 1385546275 /nfs/dbraw/zinc/54/62/75/1385546275.db2.gz RCQFSMTYNYGGIU-UHFFFAOYSA-N 1 2 334.379 3.300 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CCCc2ccc(F)cc2)C1 ZINC001318430198 1385686696 /nfs/dbraw/zinc/68/66/96/1385686696.db2.gz XDILQRJEVGYSLP-KRWDZBQOSA-N 1 2 338.854 3.434 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CCCc2ccc(F)cc2)C1 ZINC001318430198 1385686703 /nfs/dbraw/zinc/68/67/03/1385686703.db2.gz XDILQRJEVGYSLP-KRWDZBQOSA-N 1 2 338.854 3.434 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]2OCC[N@H+](Cc3ccc(C)cc3)[C@H]2C1 ZINC001177025019 1385777266 /nfs/dbraw/zinc/77/72/66/1385777266.db2.gz NZKJNDCOYYLCQA-PMACEKPBSA-N 1 2 342.483 3.153 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]2OCC[N@@H+](Cc3ccc(C)cc3)[C@H]2C1 ZINC001177025019 1385777267 /nfs/dbraw/zinc/77/72/67/1385777267.db2.gz NZKJNDCOYYLCQA-PMACEKPBSA-N 1 2 342.483 3.153 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCCCCC(C)C)C[C@@H]21 ZINC001177100634 1385811513 /nfs/dbraw/zinc/81/15/13/1385811513.db2.gz GZGZTTZUTDETJN-OALUTQOASA-N 1 2 336.520 3.471 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCCCCC(C)C)C[C@@H]21 ZINC001177100634 1385811516 /nfs/dbraw/zinc/81/15/16/1385811516.db2.gz GZGZTTZUTDETJN-OALUTQOASA-N 1 2 336.520 3.471 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]([NH2+]Cc2nc(C3CCCC3)no2)[C@@H]1C ZINC001179464150 1386488815 /nfs/dbraw/zinc/48/88/15/1386488815.db2.gz URZNHNHKIAIMPQ-HOCLYGCPSA-N 1 2 346.475 3.163 20 30 EGEDLO N#CCOc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001321706918 1386961791 /nfs/dbraw/zinc/96/17/91/1386961791.db2.gz RFYSOCUZABFPEA-UHFFFAOYSA-N 1 2 332.363 3.086 20 30 EGEDLO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)OCc2cc(C#N)ccn2)c1 ZINC001337961548 1389495285 /nfs/dbraw/zinc/49/52/85/1389495285.db2.gz DUZFZGSVYWZSDO-HXUWFJFHSA-N 1 2 349.434 3.360 20 30 EGEDLO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)OCc2cc(C#N)ccn2)c1 ZINC001337961548 1389495288 /nfs/dbraw/zinc/49/52/88/1389495288.db2.gz DUZFZGSVYWZSDO-HXUWFJFHSA-N 1 2 349.434 3.360 20 30 EGEDLO CCOc1ncccc1C[NH2+]Cc1cc(C#N)ccc1Br ZINC001332337554 1390090453 /nfs/dbraw/zinc/09/04/53/1390090453.db2.gz VJQRTPLLTKXFER-UHFFFAOYSA-N 1 2 346.228 3.404 20 30 EGEDLO C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCC[N@@H+]2C)n1C ZINC001339929801 1390191803 /nfs/dbraw/zinc/19/18/03/1390191803.db2.gz BEYJXWOWGUDMOY-KRWDZBQOSA-N 1 2 343.450 3.304 20 30 EGEDLO C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCC[N@H+]2C)n1C ZINC001339929801 1390191808 /nfs/dbraw/zinc/19/18/08/1390191808.db2.gz BEYJXWOWGUDMOY-KRWDZBQOSA-N 1 2 343.450 3.304 20 30 EGEDLO C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCC[N@@H+]2C)n1C ZINC001339932657 1390192731 /nfs/dbraw/zinc/19/27/31/1390192731.db2.gz WGWWIQDPBDXPKL-SFHVURJKSA-N 1 2 339.487 3.207 20 30 EGEDLO C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCC[N@H+]2C)n1C ZINC001339932657 1390192734 /nfs/dbraw/zinc/19/27/34/1390192734.db2.gz WGWWIQDPBDXPKL-SFHVURJKSA-N 1 2 339.487 3.207 20 30 EGEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)C1CC(C)(C)C1 ZINC001340912536 1390402812 /nfs/dbraw/zinc/40/28/12/1390402812.db2.gz XNMFQWOMBJCQPW-UHFFFAOYSA-N 1 2 344.507 3.016 20 30 EGEDLO N#Cc1cccc(-c2nnc(-c3cccc(C[NH+]4CCOCC4)c3)o2)c1 ZINC001341640594 1390513183 /nfs/dbraw/zinc/51/31/83/1390513183.db2.gz QHUNQJCHXFGIRZ-UHFFFAOYSA-N 1 2 346.390 3.107 20 30 EGEDLO CCCCCC[N@H+](C)CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl ZINC001341804800 1390531444 /nfs/dbraw/zinc/53/14/44/1390531444.db2.gz MBALVLKZMRBILI-AWEZNQCLSA-N 1 2 349.862 3.499 20 30 EGEDLO CCCCCC[N@@H+](C)CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl ZINC001341804800 1390531446 /nfs/dbraw/zinc/53/14/46/1390531446.db2.gz MBALVLKZMRBILI-AWEZNQCLSA-N 1 2 349.862 3.499 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1C[C@H](CC)O[C@@H](CC)C1 ZINC001341901979 1390547121 /nfs/dbraw/zinc/54/71/21/1390547121.db2.gz GQFMZGFHXVMZHN-ULQDDVLXSA-N 1 2 347.507 3.015 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1C[C@H](CC)O[C@@H](CC)C1 ZINC001341901979 1390547122 /nfs/dbraw/zinc/54/71/22/1390547122.db2.gz GQFMZGFHXVMZHN-ULQDDVLXSA-N 1 2 347.507 3.015 20 30 EGEDLO CC(C)[N@@H+]1CCC[C@H]1C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc21 ZINC001342716709 1390645030 /nfs/dbraw/zinc/64/50/30/1390645030.db2.gz JOMRUONIKCNUNP-HKUYNNGSSA-N 1 2 349.434 3.360 20 30 EGEDLO CC(C)[N@H+]1CCC[C@H]1C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc21 ZINC001342716709 1390645032 /nfs/dbraw/zinc/64/50/32/1390645032.db2.gz JOMRUONIKCNUNP-HKUYNNGSSA-N 1 2 349.434 3.360 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)CC(F)(F)F ZINC001342977906 1390680094 /nfs/dbraw/zinc/68/00/94/1390680094.db2.gz GMVAQOLRQGBOBV-GFCCVEGCSA-N 1 2 331.386 3.010 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)CC(F)(F)F ZINC001342977906 1390680096 /nfs/dbraw/zinc/68/00/96/1390680096.db2.gz GMVAQOLRQGBOBV-GFCCVEGCSA-N 1 2 331.386 3.010 20 30 EGEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)[C@@H](C)CCC ZINC001346657704 1390967205 /nfs/dbraw/zinc/96/72/05/1390967205.db2.gz OYIBYPPIHNRNSV-IRXDYDNUSA-N 1 2 349.523 3.261 20 30 EGEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)[C@@H](C)CCC ZINC001346657704 1390967207 /nfs/dbraw/zinc/96/72/07/1390967207.db2.gz OYIBYPPIHNRNSV-IRXDYDNUSA-N 1 2 349.523 3.261 20 30 EGEDLO C=C(C)CN(CC)c1nnc([C@@H]2CCC[N@@H+]2C)n1C[C@@H]1CCCCO1 ZINC001347054533 1390997053 /nfs/dbraw/zinc/99/70/53/1390997053.db2.gz JMZSGSIFZINYBE-IRXDYDNUSA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)CN(CC)c1nnc([C@@H]2CCC[N@H+]2C)n1C[C@@H]1CCCCO1 ZINC001347054533 1390997055 /nfs/dbraw/zinc/99/70/55/1390997055.db2.gz JMZSGSIFZINYBE-IRXDYDNUSA-N 1 2 347.507 3.016 20 30 EGEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H]1C ZINC001347643432 1391105162 /nfs/dbraw/zinc/10/51/62/1391105162.db2.gz BFGNAAGXIVCPOQ-INIZCTEOSA-N 1 2 344.507 3.016 20 30 EGEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H]1C ZINC001347643434 1391105291 /nfs/dbraw/zinc/10/52/91/1391105291.db2.gz BFGNAAGXIVCPOQ-MRXNPFEDSA-N 1 2 344.507 3.016 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H](C)Oc1cccc(C)c1)C1CC1 ZINC001481197182 1393148065 /nfs/dbraw/zinc/14/80/65/1393148065.db2.gz DRWYUSJUSPKJFI-HNNXBMFYSA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H](C)Oc1cccc(C)c1)C1CC1 ZINC001481197182 1393148066 /nfs/dbraw/zinc/14/80/66/1393148066.db2.gz DRWYUSJUSPKJFI-HNNXBMFYSA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)Cc2ccccc2F)C1 ZINC001481410952 1394269474 /nfs/dbraw/zinc/26/94/74/1394269474.db2.gz QZOFADVHBRFGKJ-MRXNPFEDSA-N 1 2 338.854 3.434 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)Cc2ccccc2F)C1 ZINC001481410952 1394269475 /nfs/dbraw/zinc/26/94/75/1394269475.db2.gz QZOFADVHBRFGKJ-MRXNPFEDSA-N 1 2 338.854 3.434 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CCCC2CCOCC2)C1 ZINC001481769283 1394513467 /nfs/dbraw/zinc/51/34/67/1394513467.db2.gz QSLQIPCTTCDUCE-QGZVFWFLSA-N 1 2 342.911 3.259 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCCC2CCOCC2)C1 ZINC001481769283 1394513472 /nfs/dbraw/zinc/51/34/72/1394513472.db2.gz QSLQIPCTTCDUCE-QGZVFWFLSA-N 1 2 342.911 3.259 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(c2cccnc2)CCCC1 ZINC001493128073 1396336351 /nfs/dbraw/zinc/33/63/51/1396336351.db2.gz JPPYCSKNZIMPML-QGZVFWFLSA-N 1 2 347.890 3.227 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C1(c2cccnc2)CCCC1 ZINC001493128073 1396336352 /nfs/dbraw/zinc/33/63/52/1396336352.db2.gz JPPYCSKNZIMPML-QGZVFWFLSA-N 1 2 347.890 3.227 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001690039148 1404274908 /nfs/dbraw/zinc/27/49/08/1404274908.db2.gz TUPPZBALWODAJD-OAHLLOKOSA-N 1 2 335.879 3.418 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001690039148 1404274911 /nfs/dbraw/zinc/27/49/11/1404274911.db2.gz TUPPZBALWODAJD-OAHLLOKOSA-N 1 2 335.879 3.418 20 30 EGEDLO CCC(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001691657546 1405390643 /nfs/dbraw/zinc/39/06/43/1405390643.db2.gz WFKIICVESNNWJS-QGZVFWFLSA-N 1 2 343.471 3.036 20 30 EGEDLO CCC(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001691657546 1405390645 /nfs/dbraw/zinc/39/06/45/1405390645.db2.gz WFKIICVESNNWJS-QGZVFWFLSA-N 1 2 343.471 3.036 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2nc(C)c(C(C)(C)C)s2)C1 ZINC001692397074 1405996582 /nfs/dbraw/zinc/99/65/82/1405996582.db2.gz KFAZNKJEUKIFHG-HNNXBMFYSA-N 1 2 347.528 3.243 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[N@H+](Cc2nc(C)c(C(C)(C)C)s2)C1 ZINC001692397074 1405996586 /nfs/dbraw/zinc/99/65/86/1405996586.db2.gz KFAZNKJEUKIFHG-HNNXBMFYSA-N 1 2 347.528 3.243 20 30 EGEDLO CCCC1(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC001732091767 1428357879 /nfs/dbraw/zinc/35/78/79/1428357879.db2.gz QLGNSISPHZDAAC-SFHVURJKSA-N 1 2 325.456 3.219 20 30 EGEDLO CCCC1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC001732091767 1428357882 /nfs/dbraw/zinc/35/78/82/1428357882.db2.gz QLGNSISPHZDAAC-SFHVURJKSA-N 1 2 325.456 3.219 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CCCc2ccsc2)C1 ZINC001732162832 1428405537 /nfs/dbraw/zinc/40/55/37/1428405537.db2.gz MNFKXGPYYDOEPT-OAHLLOKOSA-N 1 2 326.893 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CCCc2ccsc2)C1 ZINC001732162832 1428405539 /nfs/dbraw/zinc/40/55/39/1428405539.db2.gz MNFKXGPYYDOEPT-OAHLLOKOSA-N 1 2 326.893 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cc(C)nc2ccccc21 ZINC001699472712 1412856417 /nfs/dbraw/zinc/85/64/17/1412856417.db2.gz UDYOIWRGNQKLJQ-AWEZNQCLSA-N 1 2 331.847 3.346 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cc(C)nc2ccccc21 ZINC001699472712 1412856421 /nfs/dbraw/zinc/85/64/21/1412856421.db2.gz UDYOIWRGNQKLJQ-AWEZNQCLSA-N 1 2 331.847 3.346 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)C1(CCOC)CCCC1 ZINC001713258876 1417864951 /nfs/dbraw/zinc/86/49/51/1417864951.db2.gz HNUMKLLSEJEMKI-MRXNPFEDSA-N 1 2 342.911 3.307 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1(CCOC)CCCC1 ZINC001713258876 1417864956 /nfs/dbraw/zinc/86/49/56/1417864956.db2.gz HNUMKLLSEJEMKI-MRXNPFEDSA-N 1 2 342.911 3.307 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cc1coc2cc(F)ccc12 ZINC001713484883 1418177243 /nfs/dbraw/zinc/17/72/43/1418177243.db2.gz XYJGVKJHLXFVGA-UHFFFAOYSA-N 1 2 338.810 3.305 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cc1coc2cc(F)ccc12 ZINC001713484883 1418177247 /nfs/dbraw/zinc/17/72/47/1418177247.db2.gz XYJGVKJHLXFVGA-UHFFFAOYSA-N 1 2 338.810 3.305 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)CC(C)(C)CC ZINC001713506984 1418229407 /nfs/dbraw/zinc/22/94/07/1418229407.db2.gz GOLRHKYEFBEQJI-CYBMUJFWSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)CC(C)(C)CC ZINC001713506984 1418229412 /nfs/dbraw/zinc/22/94/12/1418229412.db2.gz GOLRHKYEFBEQJI-CYBMUJFWSA-N 1 2 331.298 3.302 20 30 EGEDLO C[N@H+](CCNC(=O)Cc1ccc(Cl)cc1)Cc1ccccc1C#N ZINC001714569582 1419299474 /nfs/dbraw/zinc/29/94/74/1419299474.db2.gz IHDVHLKNFOBXMV-UHFFFAOYSA-N 1 2 341.842 3.002 20 30 EGEDLO C[N@@H+](CCNC(=O)Cc1ccc(Cl)cc1)Cc1ccccc1C#N ZINC001714569582 1419299477 /nfs/dbraw/zinc/29/94/77/1419299477.db2.gz IHDVHLKNFOBXMV-UHFFFAOYSA-N 1 2 341.842 3.002 20 30 EGEDLO C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)c1ccccc1 ZINC001733231234 1429365422 /nfs/dbraw/zinc/36/54/22/1429365422.db2.gz SNUROSFYNDVAEI-HOCLYGCPSA-N 1 2 339.464 3.114 20 30 EGEDLO C[C@H](C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)c1ccccc1 ZINC001733231234 1429365426 /nfs/dbraw/zinc/36/54/26/1429365426.db2.gz SNUROSFYNDVAEI-HOCLYGCPSA-N 1 2 339.464 3.114 20 30 EGEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)c1cccc(F)c1 ZINC001715508659 1420192096 /nfs/dbraw/zinc/19/20/96/1420192096.db2.gz HYHCZOMBUKKRRF-UHFFFAOYSA-N 1 2 343.377 3.040 20 30 EGEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)c1cccc(F)c1 ZINC001715508659 1420192097 /nfs/dbraw/zinc/19/20/97/1420192097.db2.gz HYHCZOMBUKKRRF-UHFFFAOYSA-N 1 2 343.377 3.040 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)c1cccc(OC)c1 ZINC001717493621 1421432938 /nfs/dbraw/zinc/43/29/38/1421432938.db2.gz CHCZGTVIMTUUII-AWEZNQCLSA-N 1 2 338.879 3.162 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)c1cccc(OC)c1 ZINC001717493621 1421432939 /nfs/dbraw/zinc/43/29/39/1421432939.db2.gz CHCZGTVIMTUUII-AWEZNQCLSA-N 1 2 338.879 3.162 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(COC(C)C)cc1 ZINC001717498947 1421441693 /nfs/dbraw/zinc/44/16/93/1421441693.db2.gz UIAWEJQPFBKEMZ-HNNXBMFYSA-N 1 2 338.879 3.414 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(COC(C)C)cc1 ZINC001717498947 1421441694 /nfs/dbraw/zinc/44/16/94/1421441694.db2.gz UIAWEJQPFBKEMZ-HNNXBMFYSA-N 1 2 338.879 3.414 20 30 EGEDLO CCc1ccsc1C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001731795366 1427946885 /nfs/dbraw/zinc/94/68/85/1427946885.db2.gz GDZRWKQXKJAICH-UHFFFAOYSA-N 1 2 345.443 3.183 20 30 EGEDLO CCc1ccsc1C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001731795366 1427946889 /nfs/dbraw/zinc/94/68/89/1427946889.db2.gz GDZRWKQXKJAICH-UHFFFAOYSA-N 1 2 345.443 3.183 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCNC(=O)C1CCC(=C)CC1 ZINC001752056313 1440136344 /nfs/dbraw/zinc/13/63/44/1440136344.db2.gz QILUBBNLHQVSEC-UHFFFAOYSA-N 1 2 329.282 3.080 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCNC(=O)C1CCC(=C)CC1 ZINC001752056313 1440136345 /nfs/dbraw/zinc/13/63/45/1440136345.db2.gz QILUBBNLHQVSEC-UHFFFAOYSA-N 1 2 329.282 3.080 20 30 EGEDLO C=CCCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001752818281 1440219319 /nfs/dbraw/zinc/21/93/19/1440219319.db2.gz ZKKVXGZPSPXSDH-SFHVURJKSA-N 1 2 329.419 3.134 20 30 EGEDLO C=CCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001752818281 1440219320 /nfs/dbraw/zinc/21/93/20/1440219320.db2.gz ZKKVXGZPSPXSDH-SFHVURJKSA-N 1 2 329.419 3.134 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2nc(C)c(C)o2)C1 ZINC001752992007 1440259753 /nfs/dbraw/zinc/25/97/53/1440259753.db2.gz CFZNVOMBTNKXEO-MRXNPFEDSA-N 1 2 333.476 3.317 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2nc(C)c(C)o2)C1 ZINC001752992007 1440259754 /nfs/dbraw/zinc/25/97/54/1440259754.db2.gz CFZNVOMBTNKXEO-MRXNPFEDSA-N 1 2 333.476 3.317 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)[C@@H](C)c2nnc(CC)o2)C1 ZINC001752999139 1440263598 /nfs/dbraw/zinc/26/35/98/1440263598.db2.gz TYZJTDWVZOMHCB-GJZGRUSLSA-N 1 2 348.491 3.218 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@H]([N@H+](C)[C@@H](C)c2nnc(CC)o2)C1 ZINC001752999139 1440263599 /nfs/dbraw/zinc/26/35/99/1440263599.db2.gz TYZJTDWVZOMHCB-GJZGRUSLSA-N 1 2 348.491 3.218 20 30 EGEDLO Cc1ccc2[nH]c(C(=O)NCC[N@@H+](C)Cc3ccccc3C#N)cc2c1 ZINC001753059051 1440282764 /nfs/dbraw/zinc/28/27/64/1440282764.db2.gz QYKDAKXODANRLK-UHFFFAOYSA-N 1 2 346.434 3.210 20 30 EGEDLO Cc1ccc2[nH]c(C(=O)NCC[N@H+](C)Cc3ccccc3C#N)cc2c1 ZINC001753059051 1440282765 /nfs/dbraw/zinc/28/27/65/1440282765.db2.gz QYKDAKXODANRLK-UHFFFAOYSA-N 1 2 346.434 3.210 20 30 EGEDLO C[C@@H](C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F)c1ccsc1 ZINC001753063875 1440284648 /nfs/dbraw/zinc/28/46/48/1440284648.db2.gz FURVPPZDJVNXEF-CYBMUJFWSA-N 1 2 345.443 3.111 20 30 EGEDLO C[C@@H](C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F)c1ccsc1 ZINC001753063875 1440284649 /nfs/dbraw/zinc/28/46/49/1440284649.db2.gz FURVPPZDJVNXEF-CYBMUJFWSA-N 1 2 345.443 3.111 20 30 EGEDLO C[N@H+](CCNC(=O)c1ccsc1C(F)F)Cc1ccccc1C#N ZINC001753071924 1440289050 /nfs/dbraw/zinc/28/90/50/1440289050.db2.gz FLIBTLJOBOQIDS-UHFFFAOYSA-N 1 2 349.406 3.419 20 30 EGEDLO C[N@@H+](CCNC(=O)c1ccsc1C(F)F)Cc1ccccc1C#N ZINC001753071924 1440289051 /nfs/dbraw/zinc/28/90/51/1440289051.db2.gz FLIBTLJOBOQIDS-UHFFFAOYSA-N 1 2 349.406 3.419 20 30 EGEDLO CCC1(C(=O)NCC[N@H+](Cc2cc(C#N)ccc2F)C2CC2)CCC1 ZINC001753158176 1440332216 /nfs/dbraw/zinc/33/22/16/1440332216.db2.gz KXRCJJGPMXDSLG-UHFFFAOYSA-N 1 2 343.446 3.358 20 30 EGEDLO CCC1(C(=O)NCC[N@@H+](Cc2cc(C#N)ccc2F)C2CC2)CCC1 ZINC001753158176 1440332217 /nfs/dbraw/zinc/33/22/17/1440332217.db2.gz KXRCJJGPMXDSLG-UHFFFAOYSA-N 1 2 343.446 3.358 20 30 EGEDLO C=CC(C)(C)CC(=O)N(C)CC[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC001753194180 1440337841 /nfs/dbraw/zinc/33/78/41/1440337841.db2.gz IXIVWKUFGYQEQM-ZDUSSCGKSA-N 1 2 336.480 3.078 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1cnc(C)cn1 ZINC001753307841 1440355809 /nfs/dbraw/zinc/35/58/09/1440355809.db2.gz LYIYYBGUOPYHMW-XDNAFOTISA-N 1 2 342.487 3.124 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1cnc(C)cn1 ZINC001753307841 1440355810 /nfs/dbraw/zinc/35/58/10/1440355810.db2.gz LYIYYBGUOPYHMW-XDNAFOTISA-N 1 2 342.487 3.124 20 30 EGEDLO C=CCC(CC=C)C(=O)NC1C[NH+]([C@@H](C)c2cccc(OC)c2)C1 ZINC001753376911 1440387343 /nfs/dbraw/zinc/38/73/43/1440387343.db2.gz GWLKTIGFRDJDSR-HNNXBMFYSA-N 1 2 328.456 3.325 20 30 EGEDLO C=C1CC(C)(C(=O)NCC2C[NH+](Cc3cc(OC)ccc3Cl)C2)C1 ZINC001753409250 1440392741 /nfs/dbraw/zinc/39/27/41/1440392741.db2.gz BSFORKVTWIIUBX-UHFFFAOYSA-N 1 2 348.874 3.253 20 30 EGEDLO C=CCC(C)(C)C(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001753411763 1440393343 /nfs/dbraw/zinc/39/33/43/1440393343.db2.gz XNVKQJKCHOULGT-UHFFFAOYSA-N 1 2 344.886 3.342 20 30 EGEDLO CC[C@@H](CC(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1)C(C)C ZINC001753413610 1440393729 /nfs/dbraw/zinc/39/37/29/1440393729.db2.gz JGEYMQYNBLPTOP-KRWDZBQOSA-N 1 2 345.462 3.318 20 30 EGEDLO CC#CCCCC(=O)N(C)[C@@H]1CC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC001753441853 1440401940 /nfs/dbraw/zinc/40/19/40/1440401940.db2.gz QBFPBEXKAOMLIR-QGZVFWFLSA-N 1 2 345.512 3.247 20 30 EGEDLO CC#CCCCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC001753441853 1440401941 /nfs/dbraw/zinc/40/19/41/1440401941.db2.gz QBFPBEXKAOMLIR-QGZVFWFLSA-N 1 2 345.512 3.247 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)C[C@@H]2OCc3ccccc32)C1 ZINC001753461243 1440410765 /nfs/dbraw/zinc/41/07/65/1440410765.db2.gz GZOGBQQHPNCHAA-WMZOPIPTSA-N 1 2 348.874 3.323 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)C[C@@H]2OCc3ccccc32)C1 ZINC001753461243 1440410766 /nfs/dbraw/zinc/41/07/66/1440410766.db2.gz GZOGBQQHPNCHAA-WMZOPIPTSA-N 1 2 348.874 3.323 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H](C[NH2+]Cc1nc(C)no1)C1CCCCC1 ZINC001753746481 1440481284 /nfs/dbraw/zinc/48/12/84/1440481284.db2.gz XAJHHZRJRBNUHB-MRXNPFEDSA-N 1 2 348.491 3.135 20 30 EGEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001753865066 1440513729 /nfs/dbraw/zinc/51/37/29/1440513729.db2.gz GLCDGYOMEGXVFI-ZWKOTPCHSA-N 1 2 343.446 3.024 20 30 EGEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001753865066 1440513730 /nfs/dbraw/zinc/51/37/30/1440513730.db2.gz GLCDGYOMEGXVFI-ZWKOTPCHSA-N 1 2 343.446 3.024 20 30 EGEDLO C=CC1(CC(=O)NC[C@@H]2CC[N@H+]2Cc2ocnc2C)CCCCC1 ZINC001754496786 1440612604 /nfs/dbraw/zinc/61/26/04/1440612604.db2.gz HGTXFNSWIHTSFA-INIZCTEOSA-N 1 2 331.460 3.200 20 30 EGEDLO C=CC1(CC(=O)NC[C@@H]2CC[N@@H+]2Cc2ocnc2C)CCCCC1 ZINC001754496786 1440612605 /nfs/dbraw/zinc/61/26/05/1440612605.db2.gz HGTXFNSWIHTSFA-INIZCTEOSA-N 1 2 331.460 3.200 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CC[N@@H+]1Cc1cc(C)ccc1F ZINC001754500959 1440614274 /nfs/dbraw/zinc/61/42/74/1440614274.db2.gz LNCRMNHYBZKGJY-FXAWDEMLSA-N 1 2 348.462 3.053 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CC[N@H+]1Cc1cc(C)ccc1F ZINC001754500959 1440614275 /nfs/dbraw/zinc/61/42/75/1440614275.db2.gz LNCRMNHYBZKGJY-FXAWDEMLSA-N 1 2 348.462 3.053 20 30 EGEDLO C#CCCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cnc(C)s1 ZINC001754551799 1440630181 /nfs/dbraw/zinc/63/01/81/1440630181.db2.gz QDOVXNPZVYZGIS-CALCHBBNSA-N 1 2 345.512 3.210 20 30 EGEDLO C#CCCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cnc(C)s1 ZINC001754551799 1440630182 /nfs/dbraw/zinc/63/01/82/1440630182.db2.gz QDOVXNPZVYZGIS-CALCHBBNSA-N 1 2 345.512 3.210 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N(C)C1C[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001754580770 1440638586 /nfs/dbraw/zinc/63/85/86/1440638586.db2.gz LUJNHTJTRHSKFU-DOMZBBRYSA-N 1 2 333.303 3.315 20 30 EGEDLO C#CCN(C(=O)/C(C)=C\C)C1CC[NH+](Cc2ncc(C(C)C)o2)CC1 ZINC001754636785 1440648643 /nfs/dbraw/zinc/64/86/43/1440648643.db2.gz MUDSZWLGVFXJRM-APSNUPSMSA-N 1 2 343.471 3.190 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@]1(C)CC[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001754678561 1440661296 /nfs/dbraw/zinc/66/12/96/1440661296.db2.gz TWRWCFZGNWWRJH-APWZRJJASA-N 1 2 332.492 3.147 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001754678561 1440661297 /nfs/dbraw/zinc/66/12/97/1440661297.db2.gz TWRWCFZGNWWRJH-APWZRJJASA-N 1 2 332.492 3.147 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)COc2cc(C)ccc2C)C1 ZINC001754682763 1440663399 /nfs/dbraw/zinc/66/33/99/1440663399.db2.gz OGWSLEJQIHXCPZ-SFHVURJKSA-N 1 2 336.863 3.015 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)COc2cc(C)ccc2C)C1 ZINC001754682763 1440663400 /nfs/dbraw/zinc/66/34/00/1440663400.db2.gz OGWSLEJQIHXCPZ-SFHVURJKSA-N 1 2 336.863 3.015 20 30 EGEDLO C=CCCC(=O)NCc1ccc([C@@H](C)[NH2+]Cc2ncc(C)cn2)cc1 ZINC001754953291 1440715706 /nfs/dbraw/zinc/71/57/06/1440715706.db2.gz INOCUBWMOAKVJK-MRXNPFEDSA-N 1 2 338.455 3.218 20 30 EGEDLO C=CCCC(=O)NC[C@H]1COCC[N@@H+]1Cc1cccc2ccccc21 ZINC001754966501 1440718355 /nfs/dbraw/zinc/71/83/55/1440718355.db2.gz SJXWYMOQFVTGCV-IBGZPJMESA-N 1 2 338.451 3.123 20 30 EGEDLO C=CCCC(=O)NC[C@H]1COCC[N@H+]1Cc1cccc2ccccc21 ZINC001754966501 1440718356 /nfs/dbraw/zinc/71/83/56/1440718356.db2.gz SJXWYMOQFVTGCV-IBGZPJMESA-N 1 2 338.451 3.123 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)CC(F)(F)F)cccc2C1 ZINC001754974265 1440719529 /nfs/dbraw/zinc/71/95/29/1440719529.db2.gz LFJJDFRUAUYUKD-UHFFFAOYSA-N 1 2 346.780 3.366 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)CC(F)(F)F)cccc2C1 ZINC001754974265 1440719530 /nfs/dbraw/zinc/71/95/30/1440719530.db2.gz LFJJDFRUAUYUKD-UHFFFAOYSA-N 1 2 346.780 3.366 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2csnn2)CC1 ZINC001755028893 1440730241 /nfs/dbraw/zinc/73/02/41/1440730241.db2.gz JLKLTECWRFBTEO-KBPBESRZSA-N 1 2 336.505 3.172 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2csnn2)CC1 ZINC001755028893 1440730242 /nfs/dbraw/zinc/73/02/42/1440730242.db2.gz JLKLTECWRFBTEO-KBPBESRZSA-N 1 2 336.505 3.172 20 30 EGEDLO C=CCCC(=O)N[C@@H]1COC2(C[NH+](Cc3ccc(CCC)cc3)C2)C1 ZINC001755057669 1440743974 /nfs/dbraw/zinc/74/39/74/1440743974.db2.gz BDTYBCHKHKAJFL-IBGZPJMESA-N 1 2 342.483 3.065 20 30 EGEDLO CCC(=O)NCc1ccc2c(c1)C[N@@H+](Cc1ccc(OC)c(C#N)c1)C2 ZINC001755100414 1440751960 /nfs/dbraw/zinc/75/19/60/1440751960.db2.gz SYRWDZLWEBXTDG-UHFFFAOYSA-N 1 2 349.434 3.109 20 30 EGEDLO CCC(=O)NCc1ccc2c(c1)C[N@H+](Cc1ccc(OC)c(C#N)c1)C2 ZINC001755100414 1440751961 /nfs/dbraw/zinc/75/19/61/1440751961.db2.gz SYRWDZLWEBXTDG-UHFFFAOYSA-N 1 2 349.434 3.109 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)CCc3ccc(F)cc3)cc2C1 ZINC001755102530 1440753431 /nfs/dbraw/zinc/75/34/31/1440753431.db2.gz XETRFSANZPSNDP-UHFFFAOYSA-N 1 2 336.410 3.024 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)CCc3ccc(F)cc3)cc2C1 ZINC001755102530 1440753432 /nfs/dbraw/zinc/75/34/32/1440753432.db2.gz XETRFSANZPSNDP-UHFFFAOYSA-N 1 2 336.410 3.024 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2nnc(C(C)C)o2)CC1(C)C ZINC001755141016 1440760324 /nfs/dbraw/zinc/76/03/24/1440760324.db2.gz KLCNEOLZIAPBPQ-AWEZNQCLSA-N 1 2 348.491 3.122 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2nnc(C(C)C)o2)CC1(C)C ZINC001755141016 1440760325 /nfs/dbraw/zinc/76/03/25/1440760325.db2.gz KLCNEOLZIAPBPQ-AWEZNQCLSA-N 1 2 348.491 3.122 20 30 EGEDLO C=CC1(CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc2nnc(CC)o2)CCCCC1 ZINC001755257787 1440793721 /nfs/dbraw/zinc/79/37/21/1440793721.db2.gz VEGBCPWSKNWNHS-LSDHHAIUSA-N 1 2 348.491 3.141 20 30 EGEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)C[C@H](CC)c2ccc(C)cc2)C1 ZINC001755336515 1440824148 /nfs/dbraw/zinc/82/41/48/1440824148.db2.gz WTUPAJFEFPBQNP-SFHVURJKSA-N 1 2 344.499 3.008 20 30 EGEDLO CCCC[C@H](C[NH2+][C@H](C)c1nc(C(C)C)no1)NC(=O)C#CC(C)C ZINC001755358396 1440830571 /nfs/dbraw/zinc/83/05/71/1440830571.db2.gz RLEISCCMYPCZIO-HZPDHXFCSA-N 1 2 348.491 3.178 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1CCCCC[N@H+]1Cc1ncc(C)cn1 ZINC001755368082 1440835996 /nfs/dbraw/zinc/83/59/96/1440835996.db2.gz MJPQCPRQZGDRTA-QGZVFWFLSA-N 1 2 330.476 3.002 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1CCCCC[N@@H+]1Cc1ncc(C)cn1 ZINC001755368082 1440835997 /nfs/dbraw/zinc/83/59/97/1440835997.db2.gz MJPQCPRQZGDRTA-QGZVFWFLSA-N 1 2 330.476 3.002 20 30 EGEDLO C=CCC1(C(=O)N[C@@H](C)C2C[NH+](Cc3ccns3)C2)CCCC1 ZINC001755391714 1440842217 /nfs/dbraw/zinc/84/22/17/1440842217.db2.gz JZWHPCDECBQVSI-AWEZNQCLSA-N 1 2 333.501 3.216 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2nsc3ccccc23)C1 ZINC001755391882 1440842276 /nfs/dbraw/zinc/84/22/76/1440842276.db2.gz OHXNNCWXOUPPHN-LBPRGKRZSA-N 1 2 349.887 3.028 20 30 EGEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCCCCCCCC)C2)C1 ZINC001755403384 1440843283 /nfs/dbraw/zinc/84/32/83/1440843283.db2.gz LSPNBHBDBZERDB-FQEVSTJZSA-N 1 2 334.504 3.064 20 30 EGEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCCCCCCCC)C2)C1 ZINC001755403384 1440843284 /nfs/dbraw/zinc/84/32/84/1440843284.db2.gz LSPNBHBDBZERDB-FQEVSTJZSA-N 1 2 334.504 3.064 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3ccco3)on2)CC1(C)C ZINC001755405526 1440844133 /nfs/dbraw/zinc/84/41/33/1440844133.db2.gz GWWRFVCXJPZOOU-QGZVFWFLSA-N 1 2 343.427 3.227 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cc(-c3ccco3)on2)CC1(C)C ZINC001755405526 1440844134 /nfs/dbraw/zinc/84/41/34/1440844134.db2.gz GWWRFVCXJPZOOU-QGZVFWFLSA-N 1 2 343.427 3.227 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1C[N@@H+]([C@@H](C)c2nnc(CC)o2)CC1(C)C ZINC001755408712 1440845270 /nfs/dbraw/zinc/84/52/70/1440845270.db2.gz UNDHGXQGQGCHSQ-KBPBESRZSA-N 1 2 348.491 3.122 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1C[N@H+]([C@@H](C)c2nnc(CC)o2)CC1(C)C ZINC001755408712 1440845271 /nfs/dbraw/zinc/84/52/71/1440845271.db2.gz UNDHGXQGQGCHSQ-KBPBESRZSA-N 1 2 348.491 3.122 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@H](C)[NH2+]Cc2nc(C3CCC3)no2)CC1 ZINC001755604991 1440885153 /nfs/dbraw/zinc/88/51/53/1440885153.db2.gz GAFMHTFEVIQHNB-AWEZNQCLSA-N 1 2 346.475 3.020 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)[C@H]1C ZINC001755719213 1440906571 /nfs/dbraw/zinc/90/65/71/1440906571.db2.gz VYHLVSZUAFULOY-WMLDXEAASA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)[C@H]1C ZINC001755719213 1440906572 /nfs/dbraw/zinc/90/65/72/1440906572.db2.gz VYHLVSZUAFULOY-WMLDXEAASA-N 1 2 334.410 3.093 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H](NC(=O)CCC2(C)CC2)[C@@H]1C ZINC001755721088 1440907308 /nfs/dbraw/zinc/90/73/08/1440907308.db2.gz LNLKMTRTBPKUSF-KBPBESRZSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)CCC2(C)CC2)[C@@H]1C ZINC001755721088 1440907309 /nfs/dbraw/zinc/90/73/09/1440907309.db2.gz LNLKMTRTBPKUSF-KBPBESRZSA-N 1 2 343.309 3.444 20 30 EGEDLO COc1cc2c(cc1OC)C[N@H+](Cc1cc(C#N)ccc1F)CC2 ZINC000053906567 214204809 /nfs/dbraw/zinc/20/48/09/214204809.db2.gz XROXYSGDWPMXNK-UHFFFAOYSA-N 1 2 326.371 3.273 20 30 EGEDLO COc1cc2c(cc1OC)C[N@@H+](Cc1cc(C#N)ccc1F)CC2 ZINC000053906567 214204812 /nfs/dbraw/zinc/20/48/12/214204812.db2.gz XROXYSGDWPMXNK-UHFFFAOYSA-N 1 2 326.371 3.273 20 30 EGEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)Cn1ncc2ccccc2c1=O ZINC000054515963 214242825 /nfs/dbraw/zinc/24/28/25/214242825.db2.gz VXBXVRBGMNYQTJ-UHFFFAOYSA-N 1 2 332.407 3.138 20 30 EGEDLO CCC[N@H+](Cc1ccc(C#N)cc1)Cn1ncc2ccccc2c1=O ZINC000054515963 214242828 /nfs/dbraw/zinc/24/28/28/214242828.db2.gz VXBXVRBGMNYQTJ-UHFFFAOYSA-N 1 2 332.407 3.138 20 30 EGEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(C(F)(F)F)CC2)cc1Cl ZINC000173768309 231027944 /nfs/dbraw/zinc/02/79/44/231027944.db2.gz QKIDVQCQOWNGSW-UHFFFAOYSA-N 1 2 345.752 3.424 20 30 EGEDLO Cc1nc(N2CCN(c3ccc(C#N)cc3C(F)(F)F)CC2)cc[nH+]1 ZINC000124879211 282187458 /nfs/dbraw/zinc/18/74/58/282187458.db2.gz VCRMEKITNBFZSZ-UHFFFAOYSA-N 1 2 347.344 3.002 20 30 EGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCSCC1 ZINC000103468016 219302680 /nfs/dbraw/zinc/30/26/80/219302680.db2.gz INDQFUJBWVVLBB-GFCCVEGCSA-N 1 2 349.525 3.264 20 30 EGEDLO Cn1cc(C[N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1C#N ZINC000191473360 239132962 /nfs/dbraw/zinc/13/29/62/239132962.db2.gz WPWWBRZGLARVSI-QGZVFWFLSA-N 1 2 349.356 3.489 20 30 EGEDLO Cn1cc(C[N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1C#N ZINC000191473360 239132966 /nfs/dbraw/zinc/13/29/66/239132966.db2.gz WPWWBRZGLARVSI-QGZVFWFLSA-N 1 2 349.356 3.489 20 30 EGEDLO C#CCOc1cc(F)ccc1NCc1[nH+]ccn1CC(F)(F)F ZINC000266161837 248140153 /nfs/dbraw/zinc/14/01/53/248140153.db2.gz WRXMGBQWNDARME-UHFFFAOYSA-N 1 2 327.281 3.209 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)c(F)c1 ZINC000268705645 252156867 /nfs/dbraw/zinc/15/68/67/252156867.db2.gz SFVOBYKHHLZRDI-UYAOXDASSA-N 1 2 340.398 3.022 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)c(F)c1 ZINC000268705645 252156871 /nfs/dbraw/zinc/15/68/71/252156871.db2.gz SFVOBYKHHLZRDI-UYAOXDASSA-N 1 2 340.398 3.022 20 30 EGEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000118399983 152139692 /nfs/dbraw/zinc/13/96/92/152139692.db2.gz UQJWKTDYPDKKMI-GFCCVEGCSA-N 1 2 329.341 3.137 20 30 EGEDLO N#Cc1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1F ZINC000192076329 153240501 /nfs/dbraw/zinc/24/05/01/153240501.db2.gz IBNQVMPRNQPHEK-UHFFFAOYSA-N 1 2 327.378 3.154 20 30 EGEDLO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000336836061 154215852 /nfs/dbraw/zinc/21/58/52/154215852.db2.gz KKSVNQXKDVRBBM-MLGOLLRUSA-N 1 2 337.261 3.446 20 30 EGEDLO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000336836061 154215854 /nfs/dbraw/zinc/21/58/54/154215854.db2.gz KKSVNQXKDVRBBM-MLGOLLRUSA-N 1 2 337.261 3.446 20 30 EGEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000365638637 157201054 /nfs/dbraw/zinc/20/10/54/157201054.db2.gz NWUCILOFXNNJGI-ZDUSSCGKSA-N 1 2 343.818 3.357 20 30 EGEDLO CCc1[nH+]c2cc(CNC(=O)c3c[nH]c(C#N)c3)ccc2n1C1CC1 ZINC000338675456 163315412 /nfs/dbraw/zinc/31/54/12/163315412.db2.gz RTSSWIQBTQEGOI-UHFFFAOYSA-N 1 2 333.395 3.063 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)ccc1F ZINC000344371728 164165820 /nfs/dbraw/zinc/16/58/20/164165820.db2.gz UDZMFHJMWNAMRS-UHFFFAOYSA-N 1 2 332.382 3.441 20 30 EGEDLO N#Cc1cc(C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)ccc1F ZINC000344371728 164165822 /nfs/dbraw/zinc/16/58/22/164165822.db2.gz UDZMFHJMWNAMRS-UHFFFAOYSA-N 1 2 332.382 3.441 20 30 EGEDLO N#Cc1cc(C(=O)NCc2[nH+]ccn2CCc2ccccc2)ccc1F ZINC000346360897 164374720 /nfs/dbraw/zinc/37/47/20/164374720.db2.gz CIIUZGCTRGLYMB-UHFFFAOYSA-N 1 2 348.381 3.067 20 30 EGEDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000346402753 164381161 /nfs/dbraw/zinc/38/11/61/164381161.db2.gz UZLDTLIUKDNXRI-UHFFFAOYSA-N 1 2 346.390 3.133 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CC34CCCCC4)CC2)cc1 ZINC000357458421 166686631 /nfs/dbraw/zinc/68/66/31/166686631.db2.gz ZQAFALVBVRRRHZ-LJQANCHMSA-N 1 2 337.467 3.173 20 30 EGEDLO Cc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)cc1C#N ZINC000366941291 168159408 /nfs/dbraw/zinc/15/94/08/168159408.db2.gz PQYAJNBSYWCQKO-SFHVURJKSA-N 1 2 348.381 3.259 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3cnn(-c4ccccc4)c3)CCO2)c1 ZINC000367075394 168176821 /nfs/dbraw/zinc/17/68/21/168176821.db2.gz IVZLKEGQGCNBMS-NRFANRHFSA-N 1 2 344.418 3.317 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3cnn(-c4ccccc4)c3)CCO2)c1 ZINC000367075394 168176823 /nfs/dbraw/zinc/17/68/23/168176823.db2.gz IVZLKEGQGCNBMS-NRFANRHFSA-N 1 2 344.418 3.317 20 30 EGEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cc(C#N)ccc2Cl)C1 ZINC000367537887 168239122 /nfs/dbraw/zinc/23/91/22/168239122.db2.gz JTVOIMCSFWHXAY-CQSZACIVSA-N 1 2 342.830 3.040 20 30 EGEDLO N#Cc1cccc(COc2cccc(CN3CCn4c[nH+]cc4C3)c2)c1 ZINC000367940387 168286984 /nfs/dbraw/zinc/28/69/84/168286984.db2.gz CDNRTFISJGBDPA-UHFFFAOYSA-N 1 2 344.418 3.350 20 30 EGEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)cc1 ZINC000525924706 269962778 /nfs/dbraw/zinc/96/27/78/269962778.db2.gz SKBJISFPTKYGSR-KRWDZBQOSA-N 1 2 341.374 3.269 20 30 EGEDLO CC(=O)c1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425540958 270049191 /nfs/dbraw/zinc/04/91/91/270049191.db2.gz WAIOKICYSOGZAF-AWEZNQCLSA-N 1 2 335.407 3.392 20 30 EGEDLO CC(=O)c1ccccc1NC(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425540958 270049192 /nfs/dbraw/zinc/04/91/92/270049192.db2.gz WAIOKICYSOGZAF-AWEZNQCLSA-N 1 2 335.407 3.392 20 30 EGEDLO Cc1c(C#N)cccc1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000534529502 270061328 /nfs/dbraw/zinc/06/13/28/270061328.db2.gz IGPSFAPWCUGXQX-UHFFFAOYSA-N 1 2 340.452 3.278 20 30 EGEDLO N#Cc1ccncc1N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000269972109 266393688 /nfs/dbraw/zinc/39/36/88/266393688.db2.gz OQOSIDPHSLIHJD-UHFFFAOYSA-N 1 2 346.356 3.294 20 30 EGEDLO CCOc1ccccc1N1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000468268905 267175813 /nfs/dbraw/zinc/17/58/13/267175813.db2.gz DADDQANVXBXLRA-UHFFFAOYSA-N 1 2 339.414 3.418 20 30 EGEDLO CC[C@H]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000474188568 267226055 /nfs/dbraw/zinc/22/60/55/267226055.db2.gz JKSORHAVTKUXRX-PMACEKPBSA-N 1 2 339.483 3.419 20 30 EGEDLO C[N@H+](CCCC(=O)OC(C)(C)C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459337256 267306108 /nfs/dbraw/zinc/30/61/08/267306108.db2.gz ITHVFKRIEBVNPP-UHFFFAOYSA-N 1 2 333.388 3.020 20 30 EGEDLO C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459337256 267306109 /nfs/dbraw/zinc/30/61/09/267306109.db2.gz ITHVFKRIEBVNPP-UHFFFAOYSA-N 1 2 333.388 3.020 20 30 EGEDLO N#Cc1ccc(C[N@H+](Cc2nncn2-c2ccccc2)C2CC2)cc1 ZINC000277796065 268063930 /nfs/dbraw/zinc/06/39/30/268063930.db2.gz SWNHHXDKMMCFHX-UHFFFAOYSA-N 1 2 329.407 3.304 20 30 EGEDLO N#Cc1ccc(C[N@@H+](Cc2nncn2-c2ccccc2)C2CC2)cc1 ZINC000277796065 268063933 /nfs/dbraw/zinc/06/39/33/268063933.db2.gz SWNHHXDKMMCFHX-UHFFFAOYSA-N 1 2 329.407 3.304 20 30 EGEDLO N#Cc1cc2c(nc1NCc1cccc(Cn3cc[nH+]c3)c1)CCC2 ZINC000515545451 268195074 /nfs/dbraw/zinc/19/50/74/268195074.db2.gz UHZGUHZWUIVGKL-UHFFFAOYSA-N 1 2 329.407 3.299 20 30 EGEDLO N#Cc1ccc([N+](=O)[O-])c(Nc2ccc([NH+]3CCC(O)CC3)cc2)c1 ZINC000274275607 268218165 /nfs/dbraw/zinc/21/81/65/268218165.db2.gz AJBXTBVVULLHBZ-UHFFFAOYSA-N 1 2 338.367 3.171 20 30 EGEDLO COC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](Cc1ccc(C#N)cc1)CC3 ZINC000104723455 274005022 /nfs/dbraw/zinc/00/50/22/274005022.db2.gz DWGGHNXHLFQTGE-UHFFFAOYSA-N 1 2 345.402 3.384 20 30 EGEDLO COC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1ccc(C#N)cc1)CC3 ZINC000104723455 274005023 /nfs/dbraw/zinc/00/50/23/274005023.db2.gz DWGGHNXHLFQTGE-UHFFFAOYSA-N 1 2 345.402 3.384 20 30 EGEDLO CCCc1occc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000281019650 275514799 /nfs/dbraw/zinc/51/47/99/275514799.db2.gz ANZFTBZPNLALDK-UHFFFAOYSA-N 1 2 337.423 3.062 20 30 EGEDLO C[C@@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000268298473 278558619 /nfs/dbraw/zinc/55/86/19/278558619.db2.gz XDOVNZHMJHJJNF-DGCLKSJQSA-N 1 2 335.333 3.256 20 30 EGEDLO N#Cc1cccc(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)c1 ZINC000081932550 307443671 /nfs/dbraw/zinc/44/36/71/307443671.db2.gz AUCYVMZIEPLLAH-UHFFFAOYSA-N 1 2 344.418 3.318 20 30 EGEDLO C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccon1 ZINC000541718998 314481894 /nfs/dbraw/zinc/48/18/94/314481894.db2.gz ULTVQTCXDVJXKV-NSHDSACASA-N 1 2 344.440 3.166 20 30 EGEDLO CCN(CC)c1ccc(CNC(=O)Nc2scc(C)c2C#N)c[nH+]1 ZINC000563633080 316050070 /nfs/dbraw/zinc/05/00/70/316050070.db2.gz YPFWVMPGXYOILD-UHFFFAOYSA-N 1 2 343.456 3.491 20 30 EGEDLO C[C@@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1[nH]cc[nH+]1 ZINC000565273713 316301773 /nfs/dbraw/zinc/30/17/73/316301773.db2.gz GSFFRCYWGWSOFV-CQSZACIVSA-N 1 2 346.390 3.351 20 30 EGEDLO Cc1cc(N2CCN(c3cnccc3C#N)CC2)c2cccc(F)c2[nH+]1 ZINC000565868394 316380624 /nfs/dbraw/zinc/38/06/24/316380624.db2.gz WVNNNGWFWJHZJB-UHFFFAOYSA-N 1 2 347.397 3.276 20 30 EGEDLO Cc1cc(C#N)cc(NC(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)c1 ZINC000572661641 317371733 /nfs/dbraw/zinc/37/17/33/317371733.db2.gz OHPUAYOUQAPRQE-ZDUSSCGKSA-N 1 2 336.317 3.275 20 30 EGEDLO N#Cc1cc(F)ccc1C[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000179565337 323392874 /nfs/dbraw/zinc/39/28/74/323392874.db2.gz KYAHJBFMEILZSO-IBGZPJMESA-N 1 2 337.398 3.151 20 30 EGEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccc(C#N)c(Cl)c3)n2)C1 ZINC000350134606 324058035 /nfs/dbraw/zinc/05/80/35/324058035.db2.gz OPDBHRVOVIZREA-AWEZNQCLSA-N 1 2 332.791 3.043 20 30 EGEDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccc(C#N)c(Cl)c3)n2)C1 ZINC000350134606 324058037 /nfs/dbraw/zinc/05/80/37/324058037.db2.gz OPDBHRVOVIZREA-AWEZNQCLSA-N 1 2 332.791 3.043 20 30 EGEDLO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000579489016 325118079 /nfs/dbraw/zinc/11/80/79/325118079.db2.gz FRPLGANHIVMRJZ-NRFANRHFSA-N 1 2 349.434 3.094 20 30 EGEDLO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000579489016 325118080 /nfs/dbraw/zinc/11/80/80/325118080.db2.gz FRPLGANHIVMRJZ-NRFANRHFSA-N 1 2 349.434 3.094 20 30 EGEDLO CC(C)(C)c1[nH]c2ccc(NC(=O)C3(C#N)CCOCC3)cc2[nH+]1 ZINC000264551459 455235425 /nfs/dbraw/zinc/23/54/25/455235425.db2.gz YJQDNMLXVWGQMU-UHFFFAOYSA-N 1 2 326.400 3.119 20 30 EGEDLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000264575663 455240596 /nfs/dbraw/zinc/24/05/96/455240596.db2.gz XSCYKNBXMYTAQE-HNNXBMFYSA-N 1 2 345.443 3.030 20 30 EGEDLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000264575663 455240601 /nfs/dbraw/zinc/24/06/01/455240601.db2.gz XSCYKNBXMYTAQE-HNNXBMFYSA-N 1 2 345.443 3.030 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612161497 460555600 /nfs/dbraw/zinc/55/56/00/460555600.db2.gz CDONZGJTASNJMQ-CRAIPNDOSA-N 1 2 331.485 3.277 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612161497 460555605 /nfs/dbraw/zinc/55/56/05/460555605.db2.gz CDONZGJTASNJMQ-CRAIPNDOSA-N 1 2 331.485 3.277 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612161500 460556367 /nfs/dbraw/zinc/55/63/67/460556367.db2.gz CDONZGJTASNJMQ-MAUKXSAKSA-N 1 2 331.485 3.277 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612161500 460556373 /nfs/dbraw/zinc/55/63/73/460556373.db2.gz CDONZGJTASNJMQ-MAUKXSAKSA-N 1 2 331.485 3.277 20 30 EGEDLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000026190215 453794601 /nfs/dbraw/zinc/79/46/01/453794601.db2.gz PJUNOYUQLXBRLL-ZDUSSCGKSA-N 1 2 341.411 3.236 20 30 EGEDLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000026190215 453794602 /nfs/dbraw/zinc/79/46/02/453794602.db2.gz PJUNOYUQLXBRLL-ZDUSSCGKSA-N 1 2 341.411 3.236 20 30 EGEDLO N#Cc1ccccc1-c1ccccc1C(=O)NCCCn1cc[nH+]c1 ZINC000027688987 453819909 /nfs/dbraw/zinc/81/99/09/453819909.db2.gz LHCSZSSMFMPAOV-UHFFFAOYSA-N 1 2 330.391 3.242 20 30 EGEDLO CC[N@@H+](CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)C[C@@H](C)C#N ZINC000066424948 453843876 /nfs/dbraw/zinc/84/38/76/453843876.db2.gz PDLZXLAVCWUULY-GJZGRUSLSA-N 1 2 327.428 3.434 20 30 EGEDLO CC[N@H+](CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)C[C@@H](C)C#N ZINC000066424948 453843879 /nfs/dbraw/zinc/84/38/79/453843879.db2.gz PDLZXLAVCWUULY-GJZGRUSLSA-N 1 2 327.428 3.434 20 30 EGEDLO CC[N@@H+](Cc1cccc(C(=O)NCc2ccco2)c1)C[C@H](C)C#N ZINC000066424587 453843945 /nfs/dbraw/zinc/84/39/45/453843945.db2.gz KOEIBRKFRADUMG-OAHLLOKOSA-N 1 2 325.412 3.191 20 30 EGEDLO CC[N@H+](Cc1cccc(C(=O)NCc2ccco2)c1)C[C@H](C)C#N ZINC000066424587 453843947 /nfs/dbraw/zinc/84/39/47/453843947.db2.gz KOEIBRKFRADUMG-OAHLLOKOSA-N 1 2 325.412 3.191 20 30 EGEDLO COc1ccc(Br)cc1C[N@H+](C)C[C@H](C#N)CCC#N ZINC000032514476 453877128 /nfs/dbraw/zinc/87/71/28/453877128.db2.gz ADKCGHOKHSYJAO-LBPRGKRZSA-N 1 2 336.233 3.333 20 30 EGEDLO COc1ccc(Br)cc1C[N@@H+](C)C[C@H](C#N)CCC#N ZINC000032514476 453877130 /nfs/dbraw/zinc/87/71/30/453877130.db2.gz ADKCGHOKHSYJAO-LBPRGKRZSA-N 1 2 336.233 3.333 20 30 EGEDLO N#CC1(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)CCCC1 ZINC000032080685 453863868 /nfs/dbraw/zinc/86/38/68/453863868.db2.gz GWMNNKZWHUJGRT-UHFFFAOYSA-N 1 2 331.847 3.068 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCCOc1ccccc1 ZINC000083168521 453940612 /nfs/dbraw/zinc/94/06/12/453940612.db2.gz KRZNOBUCZCDFRV-IBGZPJMESA-N 1 2 338.407 3.173 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCOc1ccccc1 ZINC000083168521 453940613 /nfs/dbraw/zinc/94/06/13/453940613.db2.gz KRZNOBUCZCDFRV-IBGZPJMESA-N 1 2 338.407 3.173 20 30 EGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1csc(CC)n1 ZINC000067996894 453987994 /nfs/dbraw/zinc/98/79/94/453987994.db2.gz ZEAPKMFJTQVBEK-KRWDZBQOSA-N 1 2 346.496 3.306 20 30 EGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1csc(CC)n1 ZINC000067996894 453987998 /nfs/dbraw/zinc/98/79/98/453987998.db2.gz ZEAPKMFJTQVBEK-KRWDZBQOSA-N 1 2 346.496 3.306 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068476898 454029957 /nfs/dbraw/zinc/02/99/57/454029957.db2.gz NFHYVOGSZSXFCH-RYUDHWBXSA-N 1 2 335.835 3.038 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068476898 454029961 /nfs/dbraw/zinc/02/99/61/454029961.db2.gz NFHYVOGSZSXFCH-RYUDHWBXSA-N 1 2 335.835 3.038 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000043155703 454046173 /nfs/dbraw/zinc/04/61/73/454046173.db2.gz FXHLMAOYWUUMMQ-UHFFFAOYSA-N 1 2 338.386 3.047 20 30 EGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(F)c(C#N)c2)c1C ZINC000077499149 454114062 /nfs/dbraw/zinc/11/40/62/454114062.db2.gz JHHYWIJYGGLSQU-UHFFFAOYSA-N 1 2 342.374 3.382 20 30 EGEDLO N#CC1CC[NH+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000057906957 454156556 /nfs/dbraw/zinc/15/65/56/454156556.db2.gz ATGZBSGPOKHKRU-UHFFFAOYSA-N 1 2 343.761 3.115 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCc1sccc1C)Cc1cccc(C#N)c1 ZINC000119651666 454210571 /nfs/dbraw/zinc/21/05/71/454210571.db2.gz UUNBHMMNXPELCX-UHFFFAOYSA-N 1 2 339.464 3.233 20 30 EGEDLO C=CC[N@H+](CC(=O)NCc1sccc1C)Cc1cccc(C#N)c1 ZINC000119651666 454210574 /nfs/dbraw/zinc/21/05/74/454210574.db2.gz UUNBHMMNXPELCX-UHFFFAOYSA-N 1 2 339.464 3.233 20 30 EGEDLO N#CCc1ccccc1C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000600892402 460631820 /nfs/dbraw/zinc/63/18/20/460631820.db2.gz OLLAQZSWBZKVCP-TWGQIWQCSA-N 1 2 345.446 3.224 20 30 EGEDLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(C#N)c2)o1 ZINC000131277606 454244722 /nfs/dbraw/zinc/24/47/22/454244722.db2.gz FDMOLKLCBJZOHR-KRWDZBQOSA-N 1 2 339.395 3.073 20 30 EGEDLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(C#N)c2)o1 ZINC000131277606 454244728 /nfs/dbraw/zinc/24/47/28/454244728.db2.gz FDMOLKLCBJZOHR-KRWDZBQOSA-N 1 2 339.395 3.073 20 30 EGEDLO CSc1ccc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046528917 454261064 /nfs/dbraw/zinc/26/10/64/454261064.db2.gz FEIOTFYGDCMHCH-UHFFFAOYSA-N 1 2 325.437 3.351 20 30 EGEDLO CSc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046528917 454261070 /nfs/dbraw/zinc/26/10/70/454261070.db2.gz FEIOTFYGDCMHCH-UHFFFAOYSA-N 1 2 325.437 3.351 20 30 EGEDLO CC(C)(C)c1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000078686707 454298751 /nfs/dbraw/zinc/29/87/51/454298751.db2.gz FBOHHTQASIYIPT-UHFFFAOYSA-N 1 2 329.488 3.032 20 30 EGEDLO CC(C)(C)c1ccc(C[N@H+](CCC#N)CCN2CCOCC2)cc1 ZINC000078686707 454298753 /nfs/dbraw/zinc/29/87/53/454298753.db2.gz FBOHHTQASIYIPT-UHFFFAOYSA-N 1 2 329.488 3.032 20 30 EGEDLO CC(C)(C)c1ccc(C[N@@H+](CCC#N)CCN2CCOCC2)cc1 ZINC000078686707 454298757 /nfs/dbraw/zinc/29/87/57/454298757.db2.gz FBOHHTQASIYIPT-UHFFFAOYSA-N 1 2 329.488 3.032 20 30 EGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(-c2ccccc2)cc1 ZINC000096971718 454384907 /nfs/dbraw/zinc/38/49/07/454384907.db2.gz BVQZPMXBVLOKRT-UHFFFAOYSA-N 1 2 349.478 3.401 20 30 EGEDLO N#CC1CC[NH+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)CC1 ZINC000121124517 454395620 /nfs/dbraw/zinc/39/56/20/454395620.db2.gz MWLNOLLFTHONAH-UHFFFAOYSA-N 1 2 328.441 3.412 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(F)cc1F)Cc1cccc(C#N)c1 ZINC000063300797 454403330 /nfs/dbraw/zinc/40/33/30/454403330.db2.gz HXXBYYGTEBIRCF-UHFFFAOYSA-N 1 2 341.361 3.463 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccc(F)cc1F)Cc1cccc(C#N)c1 ZINC000063300797 454403338 /nfs/dbraw/zinc/40/33/38/454403338.db2.gz HXXBYYGTEBIRCF-UHFFFAOYSA-N 1 2 341.361 3.463 20 30 EGEDLO CCC[N@H+](Cc1nnnn1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000047739877 454404398 /nfs/dbraw/zinc/40/43/98/454404398.db2.gz CDHBKAIAKSCNOG-UHFFFAOYSA-N 1 2 346.438 3.005 20 30 EGEDLO CCC[N@@H+](Cc1nnnn1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000047739877 454404401 /nfs/dbraw/zinc/40/44/01/454404401.db2.gz CDHBKAIAKSCNOG-UHFFFAOYSA-N 1 2 346.438 3.005 20 30 EGEDLO CCN(CC)C(=O)[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccccc1 ZINC000063605403 454428916 /nfs/dbraw/zinc/42/89/16/454428916.db2.gz RBGHOWBFECOPRY-LJQANCHMSA-N 1 2 339.414 3.397 20 30 EGEDLO Cc1cccc2[nH+]c(CNC(=O)c3cccc(SCC#N)c3)cn21 ZINC000079542877 454435030 /nfs/dbraw/zinc/43/50/30/454435030.db2.gz ZJTQUQLEDSSACY-UHFFFAOYSA-N 1 2 336.420 3.188 20 30 EGEDLO N#Cc1cc(F)ccc1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000097473023 454437709 /nfs/dbraw/zinc/43/77/09/454437709.db2.gz SLDNZCZUBSWKGM-UHFFFAOYSA-N 1 2 349.369 3.264 20 30 EGEDLO CCCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccccc1F ZINC000063755472 454444730 /nfs/dbraw/zinc/44/47/30/454444730.db2.gz TUDQHJZFGXNQMJ-IBGZPJMESA-N 1 2 333.451 3.482 20 30 EGEDLO CCCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccccc1F ZINC000063755472 454444735 /nfs/dbraw/zinc/44/47/35/454444735.db2.gz TUDQHJZFGXNQMJ-IBGZPJMESA-N 1 2 333.451 3.482 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121577596 454454187 /nfs/dbraw/zinc/45/41/87/454454187.db2.gz DGJYESWTTTVTOZ-FXAWDEMLSA-N 1 2 330.472 3.047 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121577596 454454192 /nfs/dbraw/zinc/45/41/92/454454192.db2.gz DGJYESWTTTVTOZ-FXAWDEMLSA-N 1 2 330.472 3.047 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000121747896 454471828 /nfs/dbraw/zinc/47/18/28/454471828.db2.gz UWDGOEJHICVRAC-GOSISDBHSA-N 1 2 339.439 3.403 20 30 EGEDLO C=C(Br)CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000049281955 454542770 /nfs/dbraw/zinc/54/27/70/454542770.db2.gz JCJYJTPMWQRUIU-UHFFFAOYSA-N 1 2 330.189 3.136 20 30 EGEDLO C=CCN1C(=O)/C(=C/c2ccc(N3CCCC3)[nH+]c2)SC1=S ZINC000123335676 454627087 /nfs/dbraw/zinc/62/70/87/454627087.db2.gz XOSDTVOBBSTLPP-RAXLEYEMSA-N 1 2 331.466 3.069 20 30 EGEDLO C=CCOc1ccccc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000123345272 454628238 /nfs/dbraw/zinc/62/82/38/454628238.db2.gz MPXPGLQGJTUPFZ-NVXWUHKLSA-N 1 2 325.412 3.171 20 30 EGEDLO Cc1cccc(C2=CC[N@@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)c1 ZINC000092821923 454642135 /nfs/dbraw/zinc/64/21/35/454642135.db2.gz XIFRGWFFRLCQLC-HXUWFJFHSA-N 1 2 331.419 3.182 20 30 EGEDLO Cc1cccc(C2=CC[N@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)c1 ZINC000092821923 454642141 /nfs/dbraw/zinc/64/21/41/454642141.db2.gz XIFRGWFFRLCQLC-HXUWFJFHSA-N 1 2 331.419 3.182 20 30 EGEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(F)c2)CCCCC1 ZINC000052454484 454674353 /nfs/dbraw/zinc/67/43/53/454674353.db2.gz UCRVVJHEBUROFO-QGZVFWFLSA-N 1 2 329.419 3.305 20 30 EGEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)CCCCC1 ZINC000052454484 454674358 /nfs/dbraw/zinc/67/43/58/454674358.db2.gz UCRVVJHEBUROFO-QGZVFWFLSA-N 1 2 329.419 3.305 20 30 EGEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(F)c2)CCCCC1 ZINC000052454482 454674425 /nfs/dbraw/zinc/67/44/25/454674425.db2.gz UCRVVJHEBUROFO-KRWDZBQOSA-N 1 2 329.419 3.305 20 30 EGEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(F)c2)CCCCC1 ZINC000052454482 454674430 /nfs/dbraw/zinc/67/44/30/454674430.db2.gz UCRVVJHEBUROFO-KRWDZBQOSA-N 1 2 329.419 3.305 20 30 EGEDLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081043397 454676278 /nfs/dbraw/zinc/67/62/78/454676278.db2.gz FRIBRYWXDBDYSL-INIZCTEOSA-N 1 2 331.485 3.210 20 30 EGEDLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081043397 454676280 /nfs/dbraw/zinc/67/62/80/454676280.db2.gz FRIBRYWXDBDYSL-INIZCTEOSA-N 1 2 331.485 3.210 20 30 EGEDLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081044937 454676437 /nfs/dbraw/zinc/67/64/37/454676437.db2.gz XEVGPAFUVKKQDJ-ZDUSSCGKSA-N 1 2 335.398 3.110 20 30 EGEDLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081044937 454676441 /nfs/dbraw/zinc/67/64/41/454676441.db2.gz XEVGPAFUVKKQDJ-ZDUSSCGKSA-N 1 2 335.398 3.110 20 30 EGEDLO CCC[C@@H]1C[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)CCO1 ZINC000093508906 454718850 /nfs/dbraw/zinc/71/88/50/454718850.db2.gz MNISLSUACGLNGF-QGZVFWFLSA-N 1 2 332.444 3.379 20 30 EGEDLO CCC[C@@H]1C[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)CCO1 ZINC000093508906 454718857 /nfs/dbraw/zinc/71/88/57/454718857.db2.gz MNISLSUACGLNGF-QGZVFWFLSA-N 1 2 332.444 3.379 20 30 EGEDLO COc1ccc(CNc2[nH+]cccc2OCCCC#N)cc1OC ZINC000162258915 454763362 /nfs/dbraw/zinc/76/33/62/454763362.db2.gz NUWAOXKJIHVOPS-UHFFFAOYSA-N 1 2 327.384 3.393 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(OC(C)(C)C)CC1 ZINC000162429374 454774841 /nfs/dbraw/zinc/77/48/41/454774841.db2.gz DWRXXJLOUBISTC-KRWDZBQOSA-N 1 2 330.428 3.052 20 30 EGEDLO CCOC(=O)C[N@H+](CCc1ccccc1)Cc1ccc(C#N)s1 ZINC000125421770 454820577 /nfs/dbraw/zinc/82/05/77/454820577.db2.gz WVUBLSZDOXEVAJ-UHFFFAOYSA-N 1 2 328.437 3.228 20 30 EGEDLO CCOC(=O)C[N@@H+](CCc1ccccc1)Cc1ccc(C#N)s1 ZINC000125421770 454820578 /nfs/dbraw/zinc/82/05/78/454820578.db2.gz WVUBLSZDOXEVAJ-UHFFFAOYSA-N 1 2 328.437 3.228 20 30 EGEDLO CC[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@H](C)O1 ZINC000111694421 454872439 /nfs/dbraw/zinc/87/24/39/454872439.db2.gz OCGWFSRCOPVRNZ-WMLDXEAASA-N 1 2 349.862 3.086 20 30 EGEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@H](C)O1 ZINC000111694421 454872441 /nfs/dbraw/zinc/87/24/41/454872441.db2.gz OCGWFSRCOPVRNZ-WMLDXEAASA-N 1 2 349.862 3.086 20 30 EGEDLO C=CCOc1cccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000111736666 454873823 /nfs/dbraw/zinc/87/38/23/454873823.db2.gz RSLHJVPUCHZMNE-UHFFFAOYSA-N 1 2 326.400 3.317 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](CCOC)Cc2ccco2)c1C ZINC000177556963 454877250 /nfs/dbraw/zinc/87/72/50/454877250.db2.gz XXQBABBORQHASC-UHFFFAOYSA-N 1 2 330.428 3.215 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@H+](CCOC)Cc2ccco2)c1C ZINC000177556963 454877254 /nfs/dbraw/zinc/87/72/54/454877254.db2.gz XXQBABBORQHASC-UHFFFAOYSA-N 1 2 330.428 3.215 20 30 EGEDLO C=C(C)CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000154322842 454885077 /nfs/dbraw/zinc/88/50/77/454885077.db2.gz HKJGCSOANBONBO-OAHLLOKOSA-N 1 2 337.261 3.278 20 30 EGEDLO Cc1ccc2[nH+]c(COc3ccc(C(=O)N(C)CCC#N)cc3)cn2c1 ZINC000126704932 454913297 /nfs/dbraw/zinc/91/32/97/454913297.db2.gz JBHOJMYSXNZOBJ-UHFFFAOYSA-N 1 2 348.406 3.207 20 30 EGEDLO C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000154855863 454936929 /nfs/dbraw/zinc/93/69/29/454936929.db2.gz AAQWTKMKFBOSMI-CQSZACIVSA-N 1 2 330.428 3.132 20 30 EGEDLO CC(C)(C)c1n[nH]cc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000155252749 454980319 /nfs/dbraw/zinc/98/03/19/454980319.db2.gz SJUXUJVMVRUMMA-SFHVURJKSA-N 1 2 337.471 3.090 20 30 EGEDLO CC[N@H+](CCC#N)Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000127598348 454980671 /nfs/dbraw/zinc/98/06/71/454980671.db2.gz UITMDJWQIDXQPV-UHFFFAOYSA-N 1 2 325.412 3.405 20 30 EGEDLO CC[N@@H+](CCC#N)Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000127598348 454980672 /nfs/dbraw/zinc/98/06/72/454980672.db2.gz UITMDJWQIDXQPV-UHFFFAOYSA-N 1 2 325.412 3.405 20 30 EGEDLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000127681922 454987764 /nfs/dbraw/zinc/98/77/64/454987764.db2.gz FITNMVXVKLQUJU-GFCCVEGCSA-N 1 2 328.803 3.238 20 30 EGEDLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000127681922 454987768 /nfs/dbraw/zinc/98/77/68/454987768.db2.gz FITNMVXVKLQUJU-GFCCVEGCSA-N 1 2 328.803 3.238 20 30 EGEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000180405949 455164559 /nfs/dbraw/zinc/16/45/59/455164559.db2.gz WCUHBAFZKBAHTA-LBPRGKRZSA-N 1 2 349.350 3.367 20 30 EGEDLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)NC[C@H](C)C#N)CC1 ZINC000182820142 455171458 /nfs/dbraw/zinc/17/14/58/455171458.db2.gz QMEJAXHLDUODPY-CQSZACIVSA-N 1 2 339.443 3.105 20 30 EGEDLO CCCOc1ccc(/C=[NH+]/[C@H]2CCC[C@@H](C(=O)N(C)C)C2)c(O)c1 ZINC000265152517 455301608 /nfs/dbraw/zinc/30/16/08/455301608.db2.gz QUIRRSLACLUZMM-KMXYXJQTSA-N 1 2 332.444 3.247 20 30 EGEDLO CC(C)[N@H+](Cc1ccc(C#N)s1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000158532819 455311046 /nfs/dbraw/zinc/31/10/46/455311046.db2.gz PHNRULJZCPGIAQ-UHFFFAOYSA-N 1 2 338.436 3.267 20 30 EGEDLO CC(C)[N@@H+](Cc1ccc(C#N)s1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000158532819 455311048 /nfs/dbraw/zinc/31/10/48/455311048.db2.gz PHNRULJZCPGIAQ-UHFFFAOYSA-N 1 2 338.436 3.267 20 30 EGEDLO Cc1cc(N2CCCN(c3ccccc3C#N)CC2)nc(C2CC2)[nH+]1 ZINC000265391403 455317878 /nfs/dbraw/zinc/31/78/78/455317878.db2.gz UTTPEAWROCFHLB-UHFFFAOYSA-N 1 2 333.439 3.251 20 30 EGEDLO N#C[C@@]1(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCc2ccccc2C1 ZINC000183925806 455340932 /nfs/dbraw/zinc/34/09/32/455340932.db2.gz QYQXMBSKGCSXKP-OAQYLSRUSA-N 1 2 342.402 3.053 20 30 EGEDLO C=CCNC(=O)C[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000183941679 455342023 /nfs/dbraw/zinc/34/20/23/455342023.db2.gz HSTQONRGIYOMHO-MRXNPFEDSA-N 1 2 349.228 3.023 20 30 EGEDLO CC(C)CO[C@H](C)C(N)=[NH+]O[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000174221274 455370709 /nfs/dbraw/zinc/37/07/09/455370709.db2.gz VSPZELGHHRIPGI-CABCVRRESA-N 1 2 349.475 3.487 20 30 EGEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000245933918 455402917 /nfs/dbraw/zinc/40/29/17/455402917.db2.gz YZEYMLDOJCDPCU-ZIAGYGMSSA-N 1 2 344.484 3.125 20 30 EGEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000245933918 455402924 /nfs/dbraw/zinc/40/29/24/455402924.db2.gz YZEYMLDOJCDPCU-ZIAGYGMSSA-N 1 2 344.484 3.125 20 30 EGEDLO CCCCCCCCOCC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000265923164 455406583 /nfs/dbraw/zinc/40/65/83/455406583.db2.gz XEMFPRYKDGPNAZ-UHFFFAOYSA-N 1 2 344.459 3.261 20 30 EGEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000191096292 455441239 /nfs/dbraw/zinc/44/12/39/455441239.db2.gz RDLPHLLTZUKJMB-LBPRGKRZSA-N 1 2 330.350 3.167 20 30 EGEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000191096292 455441241 /nfs/dbraw/zinc/44/12/41/455441241.db2.gz RDLPHLLTZUKJMB-LBPRGKRZSA-N 1 2 330.350 3.167 20 30 EGEDLO N#Cc1ccccc1Sc1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000175616252 455471349 /nfs/dbraw/zinc/47/13/49/455471349.db2.gz NZUSVLXMEJUZSG-UHFFFAOYSA-N 1 2 348.431 3.405 20 30 EGEDLO C=CC[N@@H+](CCOC)Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000191760324 455517034 /nfs/dbraw/zinc/51/70/34/455517034.db2.gz VSZFOERDJCZBMT-UHFFFAOYSA-N 1 2 327.350 3.227 20 30 EGEDLO C=CC[N@H+](CCOC)Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000191760324 455517039 /nfs/dbraw/zinc/51/70/39/455517039.db2.gz VSZFOERDJCZBMT-UHFFFAOYSA-N 1 2 327.350 3.227 20 30 EGEDLO N#Cc1ccc(Br)c(C[N@H+](CCO)Cc2ccccc2)c1 ZINC000191782507 455519262 /nfs/dbraw/zinc/51/92/62/455519262.db2.gz UGZTVGOOXDZOEO-UHFFFAOYSA-N 1 2 345.240 3.315 20 30 EGEDLO N#Cc1ccc(Br)c(C[N@@H+](CCO)Cc2ccccc2)c1 ZINC000191782507 455519269 /nfs/dbraw/zinc/51/92/69/455519269.db2.gz UGZTVGOOXDZOEO-UHFFFAOYSA-N 1 2 345.240 3.315 20 30 EGEDLO CC[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000161004525 455523331 /nfs/dbraw/zinc/52/33/31/455523331.db2.gz ANHZWNVPAONGPT-IAGOWNOFSA-N 1 2 329.350 3.104 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000268009911 455578763 /nfs/dbraw/zinc/57/87/63/455578763.db2.gz GNGFZQIWLAGOPD-AWEZNQCLSA-N 1 2 329.400 3.187 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000268009911 455578768 /nfs/dbraw/zinc/57/87/68/455578768.db2.gz GNGFZQIWLAGOPD-AWEZNQCLSA-N 1 2 329.400 3.187 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)C1CC1 ZINC000271356180 455609296 /nfs/dbraw/zinc/60/92/96/455609296.db2.gz DWKNDHPLJNFHDX-UHFFFAOYSA-N 1 2 338.455 3.386 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)C1CC1 ZINC000271356180 455609299 /nfs/dbraw/zinc/60/92/99/455609299.db2.gz DWKNDHPLJNFHDX-UHFFFAOYSA-N 1 2 338.455 3.386 20 30 EGEDLO C=CC[N@@H+](CCC#N)CCC(=O)Nc1ccc(Br)cc1 ZINC000292371438 455643005 /nfs/dbraw/zinc/64/30/05/455643005.db2.gz YOJLDIOBVVFFEQ-UHFFFAOYSA-N 1 2 336.233 3.179 20 30 EGEDLO C=CC[N@H+](CCC#N)CCC(=O)Nc1ccc(Br)cc1 ZINC000292371438 455643007 /nfs/dbraw/zinc/64/30/07/455643007.db2.gz YOJLDIOBVVFFEQ-UHFFFAOYSA-N 1 2 336.233 3.179 20 30 EGEDLO CC[C@H]1C[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@@H](C)O1 ZINC000247749396 455643407 /nfs/dbraw/zinc/64/34/07/455643407.db2.gz YSZTYVPIUWNSBD-MJGOQNOKSA-N 1 2 343.471 3.049 20 30 EGEDLO CC[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@@H](C)O1 ZINC000247749396 455643414 /nfs/dbraw/zinc/64/34/14/455643414.db2.gz YSZTYVPIUWNSBD-MJGOQNOKSA-N 1 2 343.471 3.049 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(C(=O)OC)cc1Br ZINC000284500607 455695656 /nfs/dbraw/zinc/69/56/56/455695656.db2.gz XMZAWDLKNYRUPX-LBPRGKRZSA-N 1 2 325.206 3.018 20 30 EGEDLO Cc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1Cl ZINC000194065627 455797925 /nfs/dbraw/zinc/79/79/25/455797925.db2.gz JLENWJYWWPABQK-AWEZNQCLSA-N 1 2 341.846 3.021 20 30 EGEDLO Cc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1Cl ZINC000194065627 455797932 /nfs/dbraw/zinc/79/79/32/455797932.db2.gz JLENWJYWWPABQK-AWEZNQCLSA-N 1 2 341.846 3.021 20 30 EGEDLO Cn1c2ccc(CNC(=O)c3ccc(CC#N)cc3)cc2[nH+]c1C1CC1 ZINC000294116134 455806220 /nfs/dbraw/zinc/80/62/20/455806220.db2.gz GCZFTPLHYAIVFR-UHFFFAOYSA-N 1 2 344.418 3.447 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1)OCC ZINC000294190870 455807694 /nfs/dbraw/zinc/80/76/94/455807694.db2.gz OENRLMXUVSOVBZ-AEFFLSMTSA-N 1 2 327.428 3.329 20 30 EGEDLO CC(=O)c1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 ZINC000294900621 455830768 /nfs/dbraw/zinc/83/07/68/455830768.db2.gz IBTOWJCGDIKTCU-NRFANRHFSA-N 1 2 333.435 3.272 20 30 EGEDLO CC(C)n1cc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cn1 ZINC000278810652 455849046 /nfs/dbraw/zinc/84/90/46/455849046.db2.gz YOIKLKMPZDGXES-UHFFFAOYSA-N 1 2 343.862 3.311 20 30 EGEDLO C=CCN(CCc1ccco1)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000272144988 455858028 /nfs/dbraw/zinc/85/80/28/455858028.db2.gz AOMRGRIQJNPILO-UHFFFAOYSA-N 1 2 338.411 3.176 20 30 EGEDLO N#C[C@H](NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1)C1CCCCC1 ZINC000255024854 455858209 /nfs/dbraw/zinc/85/82/09/455858209.db2.gz JSCGNXDBEMVNMR-POGDKVGISA-N 1 2 334.423 3.474 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(OC)ccc2OC(F)F)n1 ZINC000279384415 455863583 /nfs/dbraw/zinc/86/35/83/455863583.db2.gz KNAFASMQJZYSGL-UHFFFAOYSA-N 1 2 349.381 3.148 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(OC)ccc2OC(F)F)n1 ZINC000279384415 455863589 /nfs/dbraw/zinc/86/35/89/455863589.db2.gz KNAFASMQJZYSGL-UHFFFAOYSA-N 1 2 349.381 3.148 20 30 EGEDLO C=C(C)[C@H](CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)OCC ZINC000270040717 455863569 /nfs/dbraw/zinc/86/35/69/455863569.db2.gz OETPCWFIQATWNH-KRWDZBQOSA-N 1 2 331.460 3.059 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279630500 455869624 /nfs/dbraw/zinc/86/96/24/455869624.db2.gz YZXLQHLLMYQKEU-HXUWFJFHSA-N 1 2 345.487 3.154 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1)OCC ZINC000270066494 455870201 /nfs/dbraw/zinc/87/02/01/455870201.db2.gz WEEMUONDOSRLJY-AEFFLSMTSA-N 1 2 345.418 3.136 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000279838057 455874802 /nfs/dbraw/zinc/87/48/02/455874802.db2.gz RKJPMZZDYITUAP-OAHLLOKOSA-N 1 2 341.455 3.489 20 30 EGEDLO N#CCCCCNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000296196591 455877546 /nfs/dbraw/zinc/87/75/46/455877546.db2.gz CFEVVBFYQPREOC-UHFFFAOYSA-N 1 2 331.807 3.019 20 30 EGEDLO C#CCCCCNC(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270252267 455912828 /nfs/dbraw/zinc/91/28/28/455912828.db2.gz QMBZBORGLWOEKO-KRWDZBQOSA-N 1 2 338.455 3.322 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000195065885 455918617 /nfs/dbraw/zinc/91/86/17/455918617.db2.gz WBIYRXQKPKXBRX-RDJZCZTQSA-N 1 2 341.480 3.411 20 30 EGEDLO CC(=O)c1ccc(C#N)c(NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000272353021 455922602 /nfs/dbraw/zinc/92/26/02/455922602.db2.gz DIXVMYWQUYJVEV-ZIAGYGMSSA-N 1 2 329.444 3.061 20 30 EGEDLO C#CC[C@@H](NC(=O)NCCCCNc1cccc[nH+]1)c1ccccc1 ZINC000270382405 455943176 /nfs/dbraw/zinc/94/31/76/455943176.db2.gz GILZTQIAOHCING-GOSISDBHSA-N 1 2 336.439 3.338 20 30 EGEDLO Cc1cccc(N2CC[NH+](Cc3cn4ccccc4c3C#N)CC2)c1 ZINC000198504776 456008092 /nfs/dbraw/zinc/00/80/92/456008092.db2.gz VVDOYPKFBIKKNH-UHFFFAOYSA-N 1 2 330.435 3.442 20 30 EGEDLO CCCC[C@@H](ON=C(C)C)C(=O)NCCCCNc1cccc[nH+]1 ZINC000272626536 456018216 /nfs/dbraw/zinc/01/82/16/456018216.db2.gz STDRQWNVQLVIMY-MRXNPFEDSA-N 1 2 334.464 3.361 20 30 EGEDLO C=C(CNC(=O)NCc1ccc(N2CCCC2)[nH+]c1)c1ccccc1 ZINC000286917301 456057195 /nfs/dbraw/zinc/05/71/95/456057195.db2.gz AUOABTOPUUADTA-UHFFFAOYSA-N 1 2 336.439 3.194 20 30 EGEDLO CC(C)c1occc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000280994879 456104205 /nfs/dbraw/zinc/10/42/05/456104205.db2.gz NENXEVNQCCLBKH-UHFFFAOYSA-N 1 2 337.423 3.233 20 30 EGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1C#N ZINC000301419113 456111421 /nfs/dbraw/zinc/11/14/21/456111421.db2.gz BZKBBLJFBZMDGL-UHFFFAOYSA-N 1 2 347.378 3.348 20 30 EGEDLO C#C[C@H](NC(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21)C(C)C ZINC000281034833 456116540 /nfs/dbraw/zinc/11/65/40/456116540.db2.gz IHDJBTUUWGVWMF-SJORKVTESA-N 1 2 338.455 3.177 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289446332 456126094 /nfs/dbraw/zinc/12/60/94/456126094.db2.gz WZIRERDKWDYHOM-MOPGFXCFSA-N 1 2 335.407 3.047 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289446332 456126099 /nfs/dbraw/zinc/12/60/99/456126099.db2.gz WZIRERDKWDYHOM-MOPGFXCFSA-N 1 2 335.407 3.047 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000263764976 456216595 /nfs/dbraw/zinc/21/65/95/456216595.db2.gz VMQYGFWUEGHBDS-YWZLYKJASA-N 1 2 349.434 3.131 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000263764976 456216608 /nfs/dbraw/zinc/21/66/08/456216608.db2.gz VMQYGFWUEGHBDS-YWZLYKJASA-N 1 2 349.434 3.131 20 30 EGEDLO N#Cc1cccc(COc2cccc(NC(=O)CCc3c[nH+]c[nH]3)c2)c1 ZINC000189099780 456225644 /nfs/dbraw/zinc/22/56/44/456225644.db2.gz WILIBULESIBOQC-UHFFFAOYSA-N 1 2 346.390 3.432 20 30 EGEDLO N#Cc1cccc(COc2cccc(NC(=O)CCc3c[nH]c[nH+]3)c2)c1 ZINC000189099780 456225653 /nfs/dbraw/zinc/22/56/53/456225653.db2.gz WILIBULESIBOQC-UHFFFAOYSA-N 1 2 346.390 3.432 20 30 EGEDLO C#CC[N@@H+](CC(=O)Nc1ccc(Br)cc1Cl)C1CC1 ZINC000274160475 456251474 /nfs/dbraw/zinc/25/14/74/456251474.db2.gz MDAFZUXQNLCDPH-UHFFFAOYSA-N 1 2 341.636 3.139 20 30 EGEDLO C#CC[N@H+](CC(=O)Nc1ccc(Br)cc1Cl)C1CC1 ZINC000274160475 456251477 /nfs/dbraw/zinc/25/14/77/456251477.db2.gz MDAFZUXQNLCDPH-UHFFFAOYSA-N 1 2 341.636 3.139 20 30 EGEDLO C#CCCCCNc1cc(Nc2ccc(OC)cc2OC)nc[nH+]1 ZINC000302070733 456279347 /nfs/dbraw/zinc/27/93/47/456279347.db2.gz YHAKDVHKCMNXMT-UHFFFAOYSA-N 1 2 326.400 3.453 20 30 EGEDLO CN(C(=O)c1cccc(CC#N)c1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352764234 456284843 /nfs/dbraw/zinc/28/48/43/456284843.db2.gz VUUNYXSSLQOKFG-SFHVURJKSA-N 1 2 330.391 3.337 20 30 EGEDLO COC(=O)[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccc2c(c1)CCO2 ZINC000297780501 456292733 /nfs/dbraw/zinc/29/27/33/456292733.db2.gz WDUKJWWWOLYKQP-QGZVFWFLSA-N 1 2 330.428 3.145 20 30 EGEDLO CN(C(=O)Cc1c(F)cccc1C#N)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352780758 456300134 /nfs/dbraw/zinc/30/01/34/456300134.db2.gz VPLRADCNPQUIHW-IBGZPJMESA-N 1 2 348.381 3.211 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](CC)Cc2ccccc2Br)C1=O ZINC000337142796 456330649 /nfs/dbraw/zinc/33/06/49/456330649.db2.gz UMTPJVVJSRQJFG-HNNXBMFYSA-N 1 2 337.261 3.058 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](CC)Cc2ccccc2Br)C1=O ZINC000337142796 456330652 /nfs/dbraw/zinc/33/06/52/456330652.db2.gz UMTPJVVJSRQJFG-HNNXBMFYSA-N 1 2 337.261 3.058 20 30 EGEDLO CC[C@]([NH2+]CCCC1(C#N)CCOCC1)(C(=O)OC)c1ccccc1 ZINC000281994469 456384985 /nfs/dbraw/zinc/38/49/85/456384985.db2.gz NAQQJKYLJDUKLP-HXUWFJFHSA-N 1 2 344.455 3.155 20 30 EGEDLO C=CCOc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)cc1 ZINC000337566218 456386644 /nfs/dbraw/zinc/38/66/44/456386644.db2.gz BKOAUCMYVYZKRR-IBGZPJMESA-N 1 2 340.398 3.177 20 30 EGEDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1cccc(C#N)c1F ZINC000352894284 456395350 /nfs/dbraw/zinc/39/53/50/456395350.db2.gz RPWLGDNHVJYZQA-UHFFFAOYSA-N 1 2 341.386 3.167 20 30 EGEDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1cccc(C#N)c1F ZINC000352894284 456395358 /nfs/dbraw/zinc/39/53/58/456395358.db2.gz RPWLGDNHVJYZQA-UHFFFAOYSA-N 1 2 341.386 3.167 20 30 EGEDLO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)CC1(C#N)CC1 ZINC000343260788 456490475 /nfs/dbraw/zinc/49/04/75/456490475.db2.gz QWQCXCBSEAIILK-UHFFFAOYSA-N 1 2 325.334 3.058 20 30 EGEDLO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)CC1(C#N)CC1 ZINC000343260788 456490482 /nfs/dbraw/zinc/49/04/82/456490482.db2.gz QWQCXCBSEAIILK-UHFFFAOYSA-N 1 2 325.334 3.058 20 30 EGEDLO Cn1cc[nH+]c1CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000343307640 456520638 /nfs/dbraw/zinc/52/06/38/456520638.db2.gz ZBLLVTQBOHPJMT-UHFFFAOYSA-N 1 2 332.363 3.014 20 30 EGEDLO C=CC[N@@H+](Cc1ccnn1CCCOC)Cc1ccc(OC)cc1 ZINC000282713760 456601484 /nfs/dbraw/zinc/60/14/84/456601484.db2.gz BLNKMQIEXIMBRX-UHFFFAOYSA-N 1 2 329.444 3.116 20 30 EGEDLO C=CC[N@H+](Cc1ccnn1CCCOC)Cc1ccc(OC)cc1 ZINC000282713760 456601494 /nfs/dbraw/zinc/60/14/94/456601494.db2.gz BLNKMQIEXIMBRX-UHFFFAOYSA-N 1 2 329.444 3.116 20 30 EGEDLO Cc1ccnc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)c1C#N ZINC000343471181 456644474 /nfs/dbraw/zinc/64/44/74/456644474.db2.gz FBWLGWOIAJXSFR-UHFFFAOYSA-N 1 2 332.860 3.299 20 30 EGEDLO CCN(CC)c1ccc(CNc2ncc(Cl)c(C)c2C#N)c[nH+]1 ZINC000343475454 456647396 /nfs/dbraw/zinc/64/73/96/456647396.db2.gz KZBKLJWNEBMUKE-UHFFFAOYSA-N 1 2 329.835 3.190 20 30 EGEDLO C=CCSCCNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000299322694 456657144 /nfs/dbraw/zinc/65/71/44/456657144.db2.gz YRCCSOPFRBDFGH-UHFFFAOYSA-N 1 2 348.516 3.180 20 30 EGEDLO N#Cc1c(N2CCC(CCCn3cc[nH+]c3)CC2)nc2ccccn12 ZINC000340781175 456682929 /nfs/dbraw/zinc/68/29/29/456682929.db2.gz OZFXELXRKFCCCK-UHFFFAOYSA-N 1 2 334.427 3.099 20 30 EGEDLO [O-]C(=[NH+]CCn1cc[nH+]c1)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000328588047 456713528 /nfs/dbraw/zinc/71/35/28/456713528.db2.gz NHBKFNACAXEIPS-UHFFFAOYSA-N 1 2 346.381 3.255 20 30 EGEDLO O=C(NCCn1cc[nH+]c1)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000328588047 456713534 /nfs/dbraw/zinc/71/35/34/456713534.db2.gz NHBKFNACAXEIPS-UHFFFAOYSA-N 1 2 346.381 3.255 20 30 EGEDLO CCCc1ncc(C(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)s1 ZINC000328617395 456720818 /nfs/dbraw/zinc/72/08/18/456720818.db2.gz CRGWAMGCVVPKPA-DGCLKSJQSA-N 1 2 334.445 3.054 20 30 EGEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC#Cc2cccc(F)c2)c1 ZINC000338239204 456726431 /nfs/dbraw/zinc/72/64/31/456726431.db2.gz HKEKVACNQIPQQF-UHFFFAOYSA-N 1 2 333.366 3.101 20 30 EGEDLO O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)N[C@H](c1ccccc1)C1CC1 ZINC000328691617 456738596 /nfs/dbraw/zinc/73/85/96/456738596.db2.gz CAIUVLLUQTWXDZ-JFIYKMOQSA-N 1 2 327.428 3.145 20 30 EGEDLO O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)N[C@H](c1ccccc1)C1CC1 ZINC000328691617 456738605 /nfs/dbraw/zinc/73/86/05/456738605.db2.gz CAIUVLLUQTWXDZ-JFIYKMOQSA-N 1 2 327.428 3.145 20 30 EGEDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1cccc2ccsc21 ZINC000328779995 456758264 /nfs/dbraw/zinc/75/82/64/456758264.db2.gz IZRIIGWGFWKQFS-UHFFFAOYSA-N 1 2 333.457 3.338 20 30 EGEDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1cccc2ccsc21 ZINC000328779995 456758270 /nfs/dbraw/zinc/75/82/70/456758270.db2.gz IZRIIGWGFWKQFS-UHFFFAOYSA-N 1 2 333.457 3.338 20 30 EGEDLO C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000328863511 456779666 /nfs/dbraw/zinc/77/96/66/456779666.db2.gz BCGACWFQLYAGPX-TZMCWYRMSA-N 1 2 345.468 3.220 20 30 EGEDLO CN(C)c1noc([C@@H]2CCC[N@H+](CC#Cc3ccccc3Cl)C2)n1 ZINC000338377843 456787640 /nfs/dbraw/zinc/78/76/40/456787640.db2.gz MTVKUJMKJLXNND-OAHLLOKOSA-N 1 2 344.846 3.020 20 30 EGEDLO CN(C)c1noc([C@@H]2CCC[N@@H+](CC#Cc3ccccc3Cl)C2)n1 ZINC000338377843 456787646 /nfs/dbraw/zinc/78/76/46/456787646.db2.gz MTVKUJMKJLXNND-OAHLLOKOSA-N 1 2 344.846 3.020 20 30 EGEDLO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2scnc2C2CC2)CC1 ZINC000328907184 456788053 /nfs/dbraw/zinc/78/80/53/456788053.db2.gz LILDPDGLGRUWKZ-UHFFFAOYSA-N 1 2 345.472 3.254 20 30 EGEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000328939099 456796105 /nfs/dbraw/zinc/79/61/05/456796105.db2.gz KHNITHHYTLHVHR-WCQYABFASA-N 1 2 331.803 3.128 20 30 EGEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000328939099 456796112 /nfs/dbraw/zinc/79/61/12/456796112.db2.gz KHNITHHYTLHVHR-WCQYABFASA-N 1 2 331.803 3.128 20 30 EGEDLO C[C@@H]1C[C@H](C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CCC1=O ZINC000328951060 456797605 /nfs/dbraw/zinc/79/76/05/456797605.db2.gz LLIREBMPFZWTOZ-MCIONIFRSA-N 1 2 331.460 3.457 20 30 EGEDLO Cc1ccc(NC(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)s1 ZINC000328958592 456801596 /nfs/dbraw/zinc/80/15/96/456801596.db2.gz ONTFEAWQIHEYSA-AWEZNQCLSA-N 1 2 334.445 3.284 20 30 EGEDLO COc1ccc(Br)c(C[NH+]2CCC(F)(C#N)CC2)c1 ZINC000348712606 456826451 /nfs/dbraw/zinc/82/64/51/456826451.db2.gz VCNXOSJFAJGNKX-UHFFFAOYSA-N 1 2 327.197 3.285 20 30 EGEDLO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000329071409 456829125 /nfs/dbraw/zinc/82/91/25/456829125.db2.gz NUKSREGOQJVJIZ-APWZRJJASA-N 1 2 332.444 3.161 20 30 EGEDLO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000329071409 456829128 /nfs/dbraw/zinc/82/91/28/456829128.db2.gz NUKSREGOQJVJIZ-APWZRJJASA-N 1 2 332.444 3.161 20 30 EGEDLO O=C(NCCc1nc2ccccc2s1)C1([NH+]2CCOCC2)CCC1 ZINC000329108083 456835884 /nfs/dbraw/zinc/83/58/84/456835884.db2.gz IHFVOXUNUWJENN-UHFFFAOYSA-N 1 2 345.468 3.050 20 30 EGEDLO C=CCOCCSc1[nH+]cnc2c1cnn2Cc1ccccc1 ZINC000338559236 456840232 /nfs/dbraw/zinc/84/02/32/456840232.db2.gz WFNZIWUXTBHNIB-UHFFFAOYSA-N 1 2 326.425 3.169 20 30 EGEDLO C[C@H](C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1)c1ccccn1 ZINC000329151601 456843991 /nfs/dbraw/zinc/84/39/91/456843991.db2.gz AFHJJEJGZVGOTF-XJKSGUPXSA-N 1 2 328.416 3.043 20 30 EGEDLO COc1cc(N2CC[NH+](Cc3cccc(C#N)c3F)CC2)ccc1F ZINC000338635146 456846795 /nfs/dbraw/zinc/84/67/95/456846795.db2.gz IYJQLAJSKILVBG-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO COc1ccc2c(c1)OCC[N@@H+](Cc1cn3ccccc3c1C#N)C2 ZINC000338635592 456847162 /nfs/dbraw/zinc/84/71/62/456847162.db2.gz GIQBBVCBMCBNAQ-UHFFFAOYSA-N 1 2 333.391 3.214 20 30 EGEDLO COc1ccc2c(c1)OCC[N@H+](Cc1cn3ccccc3c1C#N)C2 ZINC000338635592 456847166 /nfs/dbraw/zinc/84/71/66/456847166.db2.gz GIQBBVCBMCBNAQ-UHFFFAOYSA-N 1 2 333.391 3.214 20 30 EGEDLO Cc1cc([NH+]2CCCCCC2)ccc1NC([O-])=[NH+][C@H]1[C@@H]2COC[C@@H]21 ZINC000329261173 456863135 /nfs/dbraw/zinc/86/31/35/456863135.db2.gz ZCJPITGFNDVDRO-VQFNDLOPSA-N 1 2 329.444 3.346 20 30 EGEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000292170220 456875166 /nfs/dbraw/zinc/87/51/66/456875166.db2.gz LWDFXFHUJZCCJT-CQSZACIVSA-N 1 2 327.197 3.023 20 30 EGEDLO C=CC[N@H+](CCC#N)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000292170220 456875171 /nfs/dbraw/zinc/87/51/71/456875171.db2.gz LWDFXFHUJZCCJT-CQSZACIVSA-N 1 2 327.197 3.023 20 30 EGEDLO C[C@@H](C1CC1)n1cc(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)cn1 ZINC000329364097 456878980 /nfs/dbraw/zinc/87/89/80/456878980.db2.gz FVRRIYOUWIYZBS-GUYCJALGSA-N 1 2 332.448 3.086 20 30 EGEDLO C[C@@H](C1CC1)n1cc(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)cn1 ZINC000329364097 456878986 /nfs/dbraw/zinc/87/89/86/456878986.db2.gz FVRRIYOUWIYZBS-GUYCJALGSA-N 1 2 332.448 3.086 20 30 EGEDLO O=C(N[C@@H]1CC[C@@H](F)C1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000329396308 456884215 /nfs/dbraw/zinc/88/42/15/456884215.db2.gz XLCJBWCHJFCORM-HUUCEWRRSA-N 1 2 334.439 3.203 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@@H]2CCC[C@@H]21)C1CCOCC1 ZINC000329452925 456893384 /nfs/dbraw/zinc/89/33/84/456893384.db2.gz LWXMKZZPEBMQLZ-BHYGNILZSA-N 1 2 346.475 3.066 20 30 EGEDLO C[C@H](c1nnc(SCC2(C#N)CC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000349145241 456899930 /nfs/dbraw/zinc/89/99/30/456899930.db2.gz RRBKWPVLIRQLER-GFCCVEGCSA-N 1 2 345.447 3.425 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000329496043 456900355 /nfs/dbraw/zinc/90/03/55/456900355.db2.gz IYDHJRHKLVSCLQ-DNVCBOLYSA-N 1 2 343.427 3.029 20 30 EGEDLO Cc1nn(C)c(C)c1NC(=O)C[NH+]1CCC(OC2CCCC2)CC1 ZINC000329527072 456904847 /nfs/dbraw/zinc/90/48/47/456904847.db2.gz UCBWEDHKNSYURA-UHFFFAOYSA-N 1 2 334.464 3.049 20 30 EGEDLO O=C(C[N@H+]1CCSC[C@H]1CO)N[C@H](c1ccccc1)C1CCCC1 ZINC000329613603 456915981 /nfs/dbraw/zinc/91/59/81/456915981.db2.gz CTKQRRWUUQJYPX-IEBWSBKVSA-N 1 2 348.512 3.284 20 30 EGEDLO O=C(C[N@@H+]1CCSC[C@H]1CO)N[C@H](c1ccccc1)C1CCCC1 ZINC000329613603 456915984 /nfs/dbraw/zinc/91/59/84/456915984.db2.gz CTKQRRWUUQJYPX-IEBWSBKVSA-N 1 2 348.512 3.284 20 30 EGEDLO O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)N1CCn2c[nH+]cc2C1 ZINC000329618785 456916266 /nfs/dbraw/zinc/91/62/66/456916266.db2.gz QPZGEBZCLRTFTR-QGZVFWFLSA-N 1 2 340.402 3.388 20 30 EGEDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)NC[C@H]1CCCCS1 ZINC000329667108 456923964 /nfs/dbraw/zinc/92/39/64/456923964.db2.gz RKHSCUODKRCBKX-MRXNPFEDSA-N 1 2 348.516 3.361 20 30 EGEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000329720766 456931415 /nfs/dbraw/zinc/93/14/15/456931415.db2.gz MVSMFVRWMHYVCW-UKRRQHHQSA-N 1 2 344.846 3.324 20 30 EGEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000329720766 456931420 /nfs/dbraw/zinc/93/14/20/456931420.db2.gz MVSMFVRWMHYVCW-UKRRQHHQSA-N 1 2 344.846 3.324 20 30 EGEDLO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH+]=C([O-])N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329727691 456932266 /nfs/dbraw/zinc/93/22/66/456932266.db2.gz OVNGZWNPTTYFAH-FTLABTOESA-N 1 2 342.418 3.233 20 30 EGEDLO [O-]C(N[C@@H]1CCc2[nH]c[nH+]c2C1)=[NH+][C@@H]1CCc2c1cccc2Cl ZINC000329743311 456934222 /nfs/dbraw/zinc/93/42/22/456934222.db2.gz XCZNWPUPPCRAIC-QMTHXVAHSA-N 1 2 330.819 3.112 20 30 EGEDLO [O-]C(N[C@@H]1CCc2[nH+]c[nH]c2C1)=[NH+][C@@H]1CCc2c1cccc2Cl ZINC000329743311 456934227 /nfs/dbraw/zinc/93/42/27/456934227.db2.gz XCZNWPUPPCRAIC-QMTHXVAHSA-N 1 2 330.819 3.112 20 30 EGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1[nH+]ccn1C ZINC000341775101 456939005 /nfs/dbraw/zinc/93/90/05/456939005.db2.gz SIICDOHMRXOHCH-ZDUSSCGKSA-N 1 2 343.456 3.336 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCC3(CCC3)C1)C2 ZINC000329863006 456952565 /nfs/dbraw/zinc/95/25/65/456952565.db2.gz RMNCETVWSDGTQK-AWEZNQCLSA-N 1 2 330.476 3.285 20 30 EGEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(C(=O)c3cc4ccccc4s3)CC2)C1 ZINC000339138043 456959041 /nfs/dbraw/zinc/95/90/41/456959041.db2.gz YMRIRLOUGXTSLT-ZBFHGGJFSA-N 1 2 339.464 3.351 20 30 EGEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)CC1CCCCC1 ZINC000329951362 456965957 /nfs/dbraw/zinc/96/59/57/456965957.db2.gz CMTAZVAAJSZSGH-HOTGVXAUSA-N 1 2 336.455 3.259 20 30 EGEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)CC2CCCCC2)cn1 ZINC000329977056 456969044 /nfs/dbraw/zinc/96/90/44/456969044.db2.gz FVOVLROVHSBOOH-IRXDYDNUSA-N 1 2 336.455 3.259 20 30 EGEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)CC2CCCCC2)cn1 ZINC000329977056 456969049 /nfs/dbraw/zinc/96/90/49/456969049.db2.gz FVOVLROVHSBOOH-IRXDYDNUSA-N 1 2 336.455 3.259 20 30 EGEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2cccs2)C[C@]2(CCOC2)O1 ZINC000330082868 456982294 /nfs/dbraw/zinc/98/22/94/456982294.db2.gz QGHDWJNLWQZJBH-CPUCHLNUSA-N 1 2 338.473 3.036 20 30 EGEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)c2cccs2)C[C@]2(CCOC2)O1 ZINC000330082868 456982297 /nfs/dbraw/zinc/98/22/97/456982297.db2.gz QGHDWJNLWQZJBH-CPUCHLNUSA-N 1 2 338.473 3.036 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330097492 456984903 /nfs/dbraw/zinc/98/49/03/456984903.db2.gz AUDDCFIWUXVTSP-QWQRMKEZSA-N 1 2 336.407 3.072 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330097492 456984906 /nfs/dbraw/zinc/98/49/06/456984906.db2.gz AUDDCFIWUXVTSP-QWQRMKEZSA-N 1 2 336.407 3.072 20 30 EGEDLO CC(C)[C@@H]1N(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC12CCC2 ZINC000330193176 456999345 /nfs/dbraw/zinc/99/93/45/456999345.db2.gz YJXLGDDGHAJKIW-KRWDZBQOSA-N 1 2 330.476 3.186 20 30 EGEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000330197576 457001439 /nfs/dbraw/zinc/00/14/39/457001439.db2.gz RYJLQSYDLXZWLU-AGIUHOORSA-N 1 2 344.381 3.070 20 30 EGEDLO C=C(C)[C@H]1OCC[C@@H]1c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000345984304 457009744 /nfs/dbraw/zinc/00/97/44/457009744.db2.gz BAUJTKTUODJBPJ-DLBZAZTESA-N 1 2 336.395 3.430 20 30 EGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC3CC(F)(F)C3)n2)C1 ZINC000330244602 457010526 /nfs/dbraw/zinc/01/05/26/457010526.db2.gz DGLSNWAHBQSTJM-SNVBAGLBSA-N 1 2 344.431 3.499 20 30 EGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3CC(F)(F)C3)n2)C1 ZINC000330244602 457010530 /nfs/dbraw/zinc/01/05/30/457010530.db2.gz DGLSNWAHBQSTJM-SNVBAGLBSA-N 1 2 344.431 3.499 20 30 EGEDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CC2(C1)CCCC2 ZINC000330239267 457010800 /nfs/dbraw/zinc/01/08/00/457010800.db2.gz BAWWETDWTFEIOV-UHFFFAOYSA-N 1 2 338.455 3.264 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCC(C)(C)CCC#N ZINC000346022204 457012745 /nfs/dbraw/zinc/01/27/45/457012745.db2.gz UWASYTMVFHPHMF-UHFFFAOYSA-N 1 2 334.370 3.069 20 30 EGEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)Nc2scnc2C2CC2)CCO1 ZINC000330322120 457026602 /nfs/dbraw/zinc/02/66/02/457026602.db2.gz GPUOPVKGEHFYFP-AAEUAGOBSA-N 1 2 347.444 3.000 20 30 EGEDLO CCN1CCN(C(=O)Nc2cccc(SC)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330356560 457034219 /nfs/dbraw/zinc/03/42/19/457034219.db2.gz RTADTLDVWDLGEV-HNNXBMFYSA-N 1 2 345.472 3.056 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2nc(-c3cccs3)oc2C)CC1 ZINC000341988236 457043930 /nfs/dbraw/zinc/04/39/30/457043930.db2.gz IBOPUVQDSUWUAV-UHFFFAOYSA-N 1 2 331.441 3.464 20 30 EGEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(C(F)F)CC1 ZINC000362734093 457069094 /nfs/dbraw/zinc/06/90/94/457069094.db2.gz LYOFEUCECJVMPC-UHFFFAOYSA-N 1 2 339.411 3.218 20 30 EGEDLO N#CCCCCCc1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000349847004 457077469 /nfs/dbraw/zinc/07/74/69/457077469.db2.gz RQWSWQVGQGJWHS-QGZVFWFLSA-N 1 2 340.427 3.270 20 30 EGEDLO N#CCCCCCc1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000349847004 457077472 /nfs/dbraw/zinc/07/74/72/457077472.db2.gz RQWSWQVGQGJWHS-QGZVFWFLSA-N 1 2 340.427 3.270 20 30 EGEDLO C[C@@H](C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(C#N)c1 ZINC000359915234 457145599 /nfs/dbraw/zinc/14/55/99/457145599.db2.gz CZTVIEACDXTDSB-MRXNPFEDSA-N 1 2 344.418 3.223 20 30 EGEDLO Cc1cc(C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1C#N ZINC000362923596 457157982 /nfs/dbraw/zinc/15/79/82/457157982.db2.gz KSOXYURYYHVIQA-HNNXBMFYSA-N 1 2 342.464 3.463 20 30 EGEDLO Cc1cc(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1C#N ZINC000362923596 457157986 /nfs/dbraw/zinc/15/79/86/457157986.db2.gz KSOXYURYYHVIQA-HNNXBMFYSA-N 1 2 342.464 3.463 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(C#N)c1 ZINC000359942840 457161621 /nfs/dbraw/zinc/16/16/21/457161621.db2.gz XGFVHRDUDJUZOX-MRXNPFEDSA-N 1 2 349.434 3.133 20 30 EGEDLO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(C#N)c1)c1c(F)cccc1F ZINC000360050611 457225755 /nfs/dbraw/zinc/22/57/55/457225755.db2.gz AURWRJMRDCSAIC-INIZCTEOSA-N 1 2 344.365 3.261 20 30 EGEDLO CN(C(=O)C[N@@H+]1CCCC[C@H]1c1ccco1)C1(C#N)CCCCC1 ZINC000331739216 457243940 /nfs/dbraw/zinc/24/39/40/457243940.db2.gz VICXZFJLJSWJEC-INIZCTEOSA-N 1 2 329.444 3.491 20 30 EGEDLO CN(C(=O)C[N@H+]1CCCC[C@H]1c1ccco1)C1(C#N)CCCCC1 ZINC000331739216 457243945 /nfs/dbraw/zinc/24/39/45/457243945.db2.gz VICXZFJLJSWJEC-INIZCTEOSA-N 1 2 329.444 3.491 20 30 EGEDLO C=CCCC1(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)CC1 ZINC000354820298 457320959 /nfs/dbraw/zinc/32/09/59/457320959.db2.gz QRUXUANFGTZBAD-LJQANCHMSA-N 1 2 342.483 3.231 20 30 EGEDLO C[N@@H+]1CC[C@@H](Nc2nccc(C#N)c2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000342509080 457341866 /nfs/dbraw/zinc/34/18/66/457341866.db2.gz UUEVSLGRDMISIV-GDBMZVCRSA-N 1 2 348.784 3.164 20 30 EGEDLO C[N@H+]1CC[C@@H](Nc2nccc(C#N)c2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000342509080 457341870 /nfs/dbraw/zinc/34/18/70/457341870.db2.gz UUEVSLGRDMISIV-GDBMZVCRSA-N 1 2 348.784 3.164 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CCC)[C@H](C)C(=O)Nc1ccccc1 ZINC000355392640 457369441 /nfs/dbraw/zinc/36/94/41/457369441.db2.gz LYRUKVSQADDMLI-QGZVFWFLSA-N 1 2 345.487 3.150 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+](CCC)[C@H](C)C(=O)Nc1ccccc1 ZINC000355392640 457369445 /nfs/dbraw/zinc/36/94/45/457369445.db2.gz LYRUKVSQADDMLI-QGZVFWFLSA-N 1 2 345.487 3.150 20 30 EGEDLO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC(F)(C#N)CC1 ZINC000352441998 457371040 /nfs/dbraw/zinc/37/10/40/457371040.db2.gz IDZLZMBEXBLKDQ-KGLIPLIRSA-N 1 2 335.448 3.128 20 30 EGEDLO C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[NH+]1CCC(F)(C#N)CC1 ZINC000352458725 457385127 /nfs/dbraw/zinc/38/51/27/457385127.db2.gz OEDXUQPFPMCUHQ-HUUCEWRRSA-N 1 2 329.419 3.070 20 30 EGEDLO C=CCN(CCc1ccco1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000355679871 457399601 /nfs/dbraw/zinc/39/96/01/457399601.db2.gz UCDIUTCDJYPMOD-UHFFFAOYSA-N 1 2 349.434 3.324 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352484137 457404092 /nfs/dbraw/zinc/40/40/92/457404092.db2.gz LYGMBKKKGFWIPJ-CYBMUJFWSA-N 1 2 337.826 3.187 20 30 EGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1ccoc1 ZINC000342635412 457418804 /nfs/dbraw/zinc/41/88/04/457418804.db2.gz KEPGLZDIXIQZMK-HNNXBMFYSA-N 1 2 341.411 3.055 20 30 EGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1ccoc1 ZINC000342635412 457418811 /nfs/dbraw/zinc/41/88/11/457418811.db2.gz KEPGLZDIXIQZMK-HNNXBMFYSA-N 1 2 341.411 3.055 20 30 EGEDLO C=CCCC1(C(=O)N(C)C[C@H]2OCC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000347441785 457430412 /nfs/dbraw/zinc/43/04/12/457430412.db2.gz BZXSKFCPPBCBPQ-MOPGFXCFSA-N 1 2 342.483 3.263 20 30 EGEDLO C=CCCC1(C(=O)N(C)C[C@H]2OCC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000347441785 457430422 /nfs/dbraw/zinc/43/04/22/457430422.db2.gz BZXSKFCPPBCBPQ-MOPGFXCFSA-N 1 2 342.483 3.263 20 30 EGEDLO Cc1cc(NCc2cccc(COCC(F)(F)F)c2)c(C#N)c[nH+]1 ZINC000425237543 457468935 /nfs/dbraw/zinc/46/89/35/457468935.db2.gz LICGACRQODPALC-UHFFFAOYSA-N 1 2 335.329 3.375 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2cccnc2C#N)CC1 ZINC000357502022 457568273 /nfs/dbraw/zinc/56/82/73/457568273.db2.gz KBYUDHYCPPCFAW-AWEZNQCLSA-N 1 2 326.831 3.490 20 30 EGEDLO CC(C)(C)OC(=O)C[N@H+](Cc1cccc(C#N)c1F)C1CCOCC1 ZINC000408523230 457579499 /nfs/dbraw/zinc/57/94/99/457579499.db2.gz IAGDLCTUXUHKHS-UHFFFAOYSA-N 1 2 348.418 3.020 20 30 EGEDLO CC(C)(C)OC(=O)C[N@@H+](Cc1cccc(C#N)c1F)C1CCOCC1 ZINC000408523230 457579505 /nfs/dbraw/zinc/57/95/05/457579505.db2.gz IAGDLCTUXUHKHS-UHFFFAOYSA-N 1 2 348.418 3.020 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C(=O)OCC)C1CC1 ZINC000357556963 457594901 /nfs/dbraw/zinc/59/49/01/457594901.db2.gz WWAQUJXCNVUTFU-UHFFFAOYSA-N 1 2 336.457 3.131 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C(=O)OCC)C1CC1 ZINC000357556963 457594908 /nfs/dbraw/zinc/59/49/08/457594908.db2.gz WWAQUJXCNVUTFU-UHFFFAOYSA-N 1 2 336.457 3.131 20 30 EGEDLO N#CCC[C@@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000370873610 457731591 /nfs/dbraw/zinc/73/15/91/457731591.db2.gz SBAOULSYVOFPTN-DLBZAZTESA-N 1 2 337.427 3.344 20 30 EGEDLO COC1(C[N@@H+]2CCN(Cc3ccccc3)[C@H](C#N)C2)CCCCC1 ZINC000361494160 457753135 /nfs/dbraw/zinc/75/31/35/457753135.db2.gz XLZCSMJXQKPWEN-LJQANCHMSA-N 1 2 327.472 3.046 20 30 EGEDLO COC1(C[N@H+]2CCN(Cc3ccccc3)[C@H](C#N)C2)CCCCC1 ZINC000361494160 457753141 /nfs/dbraw/zinc/75/31/41/457753141.db2.gz XLZCSMJXQKPWEN-LJQANCHMSA-N 1 2 327.472 3.046 20 30 EGEDLO Cc1ccc2ccccc2c1C[N@H+](CCC#N)CCN1CCOCC1 ZINC000361542391 457782349 /nfs/dbraw/zinc/78/23/49/457782349.db2.gz YMOUHEGLWZEFJB-UHFFFAOYSA-N 1 2 337.467 3.196 20 30 EGEDLO Cc1ccc2ccccc2c1C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000361542391 457782353 /nfs/dbraw/zinc/78/23/53/457782353.db2.gz YMOUHEGLWZEFJB-UHFFFAOYSA-N 1 2 337.467 3.196 20 30 EGEDLO Cc1ccc2ccccc2c1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000361542391 457782357 /nfs/dbraw/zinc/78/23/57/457782357.db2.gz YMOUHEGLWZEFJB-UHFFFAOYSA-N 1 2 337.467 3.196 20 30 EGEDLO Cc1[nH]c2ccc(NS(=O)(=O)c3ccc(C#N)cc3Cl)cc2[nH+]1 ZINC000358169092 457831114 /nfs/dbraw/zinc/83/11/14/457831114.db2.gz QNRJWMKVSWGJEB-UHFFFAOYSA-N 1 2 346.799 3.197 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3cccc(Cl)c3O)CCO2)c1 ZINC000371416698 457920372 /nfs/dbraw/zinc/92/03/72/457920372.db2.gz HSXNBGXVIXKWSI-QGZVFWFLSA-N 1 2 328.799 3.491 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3cccc(Cl)c3O)CCO2)c1 ZINC000371416698 457920376 /nfs/dbraw/zinc/92/03/76/457920376.db2.gz HSXNBGXVIXKWSI-QGZVFWFLSA-N 1 2 328.799 3.491 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444703774 457948780 /nfs/dbraw/zinc/94/87/80/457948780.db2.gz KTEBOAPOCAPYFQ-CYBMUJFWSA-N 1 2 335.398 3.128 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444703774 457948784 /nfs/dbraw/zinc/94/87/84/457948784.db2.gz KTEBOAPOCAPYFQ-CYBMUJFWSA-N 1 2 335.398 3.128 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000375695889 458025227 /nfs/dbraw/zinc/02/52/27/458025227.db2.gz CYWUVLOJQKOKKT-UHFFFAOYSA-N 1 2 345.281 3.370 20 30 EGEDLO C=C(Br)C[N@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000375695889 458025222 /nfs/dbraw/zinc/02/52/22/458025222.db2.gz CYWUVLOJQKOKKT-UHFFFAOYSA-N 1 2 345.281 3.370 20 30 EGEDLO C=CCOCCCC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000362531541 458250940 /nfs/dbraw/zinc/25/09/40/458250940.db2.gz QQXLFVRAFNHGLO-UHFFFAOYSA-N 1 2 345.487 3.129 20 30 EGEDLO CC[C@@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H](C)O1 ZINC000447043582 458258089 /nfs/dbraw/zinc/25/80/89/458258089.db2.gz BNIQRSPLEJUSBR-DZGCQCFKSA-N 1 2 327.346 3.436 20 30 EGEDLO CC[C@@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H](C)O1 ZINC000447043582 458258094 /nfs/dbraw/zinc/25/80/94/458258094.db2.gz BNIQRSPLEJUSBR-DZGCQCFKSA-N 1 2 327.346 3.436 20 30 EGEDLO CC(=O)Nc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000372346459 458284306 /nfs/dbraw/zinc/28/43/06/458284306.db2.gz NRINPPFJDJAWOQ-HXUWFJFHSA-N 1 2 335.407 3.090 20 30 EGEDLO CC(=O)Nc1cccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000372346459 458284317 /nfs/dbraw/zinc/28/43/17/458284317.db2.gz NRINPPFJDJAWOQ-HXUWFJFHSA-N 1 2 335.407 3.090 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000362591829 458287527 /nfs/dbraw/zinc/28/75/27/458287527.db2.gz RLBRXJNERJAALL-BPUTZDHNSA-N 1 2 349.500 3.295 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000362591829 458287529 /nfs/dbraw/zinc/28/75/29/458287529.db2.gz RLBRXJNERJAALL-BPUTZDHNSA-N 1 2 349.500 3.295 20 30 EGEDLO C=CCC1(CNc2cc(N3CC[C@@H]([C@@H](C)O)C3)nc[nH+]2)CCCC1 ZINC000413313800 458296960 /nfs/dbraw/zinc/29/69/60/458296960.db2.gz HZNPYNDMIPRAMI-HZPDHXFCSA-N 1 2 330.476 3.232 20 30 EGEDLO C=CCC1(CNc2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)CCCC1 ZINC000413313800 458296965 /nfs/dbraw/zinc/29/69/65/458296965.db2.gz HZNPYNDMIPRAMI-HZPDHXFCSA-N 1 2 330.476 3.232 20 30 EGEDLO N#CC1(NC(=O)C[N@@H+]2Cc3ccccc3C[C@@H]2c2ccccc2)CCC1 ZINC000372609291 458308772 /nfs/dbraw/zinc/30/87/72/458308772.db2.gz JGGSXSZWELRQSD-HXUWFJFHSA-N 1 2 345.446 3.348 20 30 EGEDLO N#CC1(NC(=O)C[N@H+]2Cc3ccccc3C[C@@H]2c2ccccc2)CCC1 ZINC000372609291 458308774 /nfs/dbraw/zinc/30/87/74/458308774.db2.gz JGGSXSZWELRQSD-HXUWFJFHSA-N 1 2 345.446 3.348 20 30 EGEDLO C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[NH+]1Cc1cccc(C#N)c1F ZINC000429394319 458327677 /nfs/dbraw/zinc/32/76/77/458327677.db2.gz PEYJBJQEDWASFT-KBPBESRZSA-N 1 2 331.435 3.165 20 30 EGEDLO CCOC(=O)CC(C)(C)CC[N@@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000376541194 458332085 /nfs/dbraw/zinc/33/20/85/458332085.db2.gz NHSBHQNAOYPPGJ-APWZRJJASA-N 1 2 336.476 3.283 20 30 EGEDLO CCOC(=O)CC(C)(C)CC[N@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000376541194 458332087 /nfs/dbraw/zinc/33/20/87/458332087.db2.gz NHSBHQNAOYPPGJ-APWZRJJASA-N 1 2 336.476 3.283 20 30 EGEDLO C=CCN1C(=O)N(Cc2c[nH+]c(C)cc2C)C(=O)[C@H]1Cc1ccccc1 ZINC000420054444 458395977 /nfs/dbraw/zinc/39/59/77/458395977.db2.gz FQZRDOMOKHNGRM-LJQANCHMSA-N 1 2 349.434 3.260 20 30 EGEDLO C=CCOc1ccc(CNC(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000420859295 458402624 /nfs/dbraw/zinc/40/26/24/458402624.db2.gz GXIMGVSQGNSHMU-UHFFFAOYSA-N 1 2 325.412 3.263 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@@]2(C#N)C[C@@H]2C)CC1 ZINC000449966753 458436003 /nfs/dbraw/zinc/43/60/03/458436003.db2.gz RNIAQKMEVBOTPE-PMUMKWKESA-N 1 2 331.847 3.095 20 30 EGEDLO C[N@H+](CC#Cc1ccc(F)cc1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000437873898 458505234 /nfs/dbraw/zinc/50/52/34/458505234.db2.gz RNDGQOSMZUGGCF-FQEVSTJZSA-N 1 2 336.410 3.305 20 30 EGEDLO C[N@@H+](CC#Cc1ccc(F)cc1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000437873898 458505239 /nfs/dbraw/zinc/50/52/39/458505239.db2.gz RNDGQOSMZUGGCF-FQEVSTJZSA-N 1 2 336.410 3.305 20 30 EGEDLO C[N@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000437873900 458505706 /nfs/dbraw/zinc/50/57/06/458505706.db2.gz RNDGQOSMZUGGCF-HXUWFJFHSA-N 1 2 336.410 3.305 20 30 EGEDLO C[N@@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000437873900 458505709 /nfs/dbraw/zinc/50/57/09/458505709.db2.gz RNDGQOSMZUGGCF-HXUWFJFHSA-N 1 2 336.410 3.305 20 30 EGEDLO C=C(C)COc1cc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)ccc1OC ZINC000377694325 458511082 /nfs/dbraw/zinc/51/10/82/458511082.db2.gz ILHPUBQOBZTQSL-ZWKOTPCHSA-N 1 2 347.455 3.030 20 30 EGEDLO C=C(C)COc1cc(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)ccc1OC ZINC000377694325 458511088 /nfs/dbraw/zinc/51/10/88/458511088.db2.gz ILHPUBQOBZTQSL-ZWKOTPCHSA-N 1 2 347.455 3.030 20 30 EGEDLO C=CCn1cc(C[NH2+]Cc2c(Cl)cc(Cl)cc2N(C)C)nn1 ZINC000424174432 458577710 /nfs/dbraw/zinc/57/77/10/458577710.db2.gz RWYVFNUETDKIII-UHFFFAOYSA-N 1 2 340.258 3.127 20 30 EGEDLO C=CC(C)(C)CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000455379352 458596290 /nfs/dbraw/zinc/59/62/90/458596290.db2.gz FCZVOUCROYXXFX-UHFFFAOYSA-N 1 2 330.476 3.321 20 30 EGEDLO N#C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000455632981 458605908 /nfs/dbraw/zinc/60/59/08/458605908.db2.gz XKAPDMLWCGSOKH-FZMZJTMJSA-N 1 2 349.221 3.133 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000494006466 458615420 /nfs/dbraw/zinc/61/54/20/458615420.db2.gz JAJOKUGJXDGZRD-IBGZPJMESA-N 1 2 333.391 3.386 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000494006466 458615425 /nfs/dbraw/zinc/61/54/25/458615425.db2.gz JAJOKUGJXDGZRD-IBGZPJMESA-N 1 2 333.391 3.386 20 30 EGEDLO C=C[C@H]1CCCCN1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000494182768 458637561 /nfs/dbraw/zinc/63/75/61/458637561.db2.gz MSCFPVWSALZDFT-WMLDXEAASA-N 1 2 342.418 3.399 20 30 EGEDLO C=C[C@@H]1CCCCN1C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000494182766 458638127 /nfs/dbraw/zinc/63/81/27/458638127.db2.gz MSCFPVWSALZDFT-PBHICJAKSA-N 1 2 342.418 3.399 20 30 EGEDLO C[C@H](c1ccccc1)[N@H+](CC(N)=O)Cc1ccc(C#N)cc1Cl ZINC000439438280 458701616 /nfs/dbraw/zinc/70/16/16/458701616.db2.gz MAQKXWJYAFSBIN-CYBMUJFWSA-N 1 2 327.815 3.260 20 30 EGEDLO C[C@H](c1ccccc1)[N@@H+](CC(N)=O)Cc1ccc(C#N)cc1Cl ZINC000439438280 458701623 /nfs/dbraw/zinc/70/16/23/458701623.db2.gz MAQKXWJYAFSBIN-CYBMUJFWSA-N 1 2 327.815 3.260 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000505790830 458747375 /nfs/dbraw/zinc/74/73/75/458747375.db2.gz PNEGJHURDNQMQG-INIZCTEOSA-N 1 2 338.798 3.379 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2[C@H](C)CO ZINC000456693905 458753737 /nfs/dbraw/zinc/75/37/37/458753737.db2.gz BITKIHUKPDOWLT-BFUOFWGJSA-N 1 2 345.443 3.065 20 30 EGEDLO C=CCCCC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000508335508 458757880 /nfs/dbraw/zinc/75/78/80/458757880.db2.gz QGMKACZSBFEFIS-KRWDZBQOSA-N 1 2 330.472 3.474 20 30 EGEDLO C=CCCCC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000508335508 458757888 /nfs/dbraw/zinc/75/78/88/458757888.db2.gz QGMKACZSBFEFIS-KRWDZBQOSA-N 1 2 330.472 3.474 20 30 EGEDLO N#C[C@@H]1C[N@@H+](Cc2cc(Cl)cs2)C[C@]12C(=O)Nc1ccccc12 ZINC000494934900 458767991 /nfs/dbraw/zinc/76/79/91/458767991.db2.gz XWAYKZAQUKVFMM-DIFFPNOSSA-N 1 2 343.839 3.247 20 30 EGEDLO N#C[C@@H]1C[N@H+](Cc2cc(Cl)cs2)C[C@]12C(=O)Nc1ccccc12 ZINC000494934900 458767996 /nfs/dbraw/zinc/76/79/96/458767996.db2.gz XWAYKZAQUKVFMM-DIFFPNOSSA-N 1 2 343.839 3.247 20 30 EGEDLO CC(C)Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000510948356 458777682 /nfs/dbraw/zinc/77/76/82/458777682.db2.gz DXCDXQZTCPSDGF-MRXNPFEDSA-N 1 2 345.462 3.390 20 30 EGEDLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH+]2CCC(CCC#N)CC2)c1C ZINC000514600657 458799294 /nfs/dbraw/zinc/79/92/94/458799294.db2.gz RVHOENRLHCZCEZ-CQSZACIVSA-N 1 2 329.444 3.421 20 30 EGEDLO Cc1sc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1-c1ccc(F)cc1 ZINC000555482723 458906895 /nfs/dbraw/zinc/90/68/95/458906895.db2.gz IAJNKFQIVOSMRN-SFHVURJKSA-N 1 2 345.443 3.436 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000555878849 458916432 /nfs/dbraw/zinc/91/64/32/458916432.db2.gz OHTCAVISTWQKSU-HNNXBMFYSA-N 1 2 332.407 3.070 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC=C(c2ccccn2)C1 ZINC000555878849 458916436 /nfs/dbraw/zinc/91/64/36/458916436.db2.gz OHTCAVISTWQKSU-HNNXBMFYSA-N 1 2 332.407 3.070 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000566718423 458988484 /nfs/dbraw/zinc/98/84/84/458988484.db2.gz QTCISWQMIKFCPA-CYBMUJFWSA-N 1 2 339.443 3.038 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000566718423 458988488 /nfs/dbraw/zinc/98/84/88/458988488.db2.gz QTCISWQMIKFCPA-CYBMUJFWSA-N 1 2 339.443 3.038 20 30 EGEDLO N#Cc1ncccc1SCc1cccc(C[NH+]2CCOCC2)c1 ZINC000577412425 459030316 /nfs/dbraw/zinc/03/03/16/459030316.db2.gz QGCLXSMFPPKRDI-UHFFFAOYSA-N 1 2 325.437 3.078 20 30 EGEDLO Cc1cc(N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000496115254 459072965 /nfs/dbraw/zinc/07/29/65/459072965.db2.gz ORNZRWFOXADWST-SWLSCSKDSA-N 1 2 330.432 3.001 20 30 EGEDLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000496119001 459073796 /nfs/dbraw/zinc/07/37/96/459073796.db2.gz BXMVCTZABGXAID-UHFFFAOYSA-N 1 2 333.407 3.186 20 30 EGEDLO N#Cc1c(NC(=O)C[NH+]2C3CCC2CC3)sc2c1CCCCC2 ZINC000532466902 459093725 /nfs/dbraw/zinc/09/37/25/459093725.db2.gz SIFCZXRJOSFYIM-UHFFFAOYSA-N 1 2 329.469 3.454 20 30 EGEDLO Cc1noc(C[N@@H+](C)Cc2cccc(OCc3ccccc3C#N)c2)n1 ZINC000594613890 459115284 /nfs/dbraw/zinc/11/52/84/459115284.db2.gz FOUWQEQDZAVJTJ-UHFFFAOYSA-N 1 2 348.406 3.461 20 30 EGEDLO Cc1noc(C[N@H+](C)Cc2cccc(OCc3ccccc3C#N)c2)n1 ZINC000594613890 459115286 /nfs/dbraw/zinc/11/52/86/459115286.db2.gz FOUWQEQDZAVJTJ-UHFFFAOYSA-N 1 2 348.406 3.461 20 30 EGEDLO CC#CC[NH+]1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000533394489 459231010 /nfs/dbraw/zinc/23/10/10/459231010.db2.gz XWWKDKQSVAQSFU-UHFFFAOYSA-N 1 2 329.444 3.090 20 30 EGEDLO Cc1cnccc1C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000581171992 459268882 /nfs/dbraw/zinc/26/88/82/459268882.db2.gz ZKWNZRIAPLVTSJ-LJQANCHMSA-N 1 2 340.858 3.426 20 30 EGEDLO C[C@@H]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@H]2C#N)c2ccccc2S1 ZINC000590958837 459282471 /nfs/dbraw/zinc/28/24/71/459282471.db2.gz KPZFVILSDQTRAF-QLFBSQMISA-N 1 2 329.469 3.186 20 30 EGEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC000595425552 459296371 /nfs/dbraw/zinc/29/63/71/459296371.db2.gz GEVWBMJZHAUTPY-IBGZPJMESA-N 1 2 340.402 3.074 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CCC[C@H](CC#N)C1 ZINC000595458118 459309469 /nfs/dbraw/zinc/30/94/69/459309469.db2.gz IZIDEDKUUAGMMW-MRXNPFEDSA-N 1 2 339.443 3.070 20 30 EGEDLO Cc1cc(N2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000496865740 459351615 /nfs/dbraw/zinc/35/16/15/459351615.db2.gz PAUARIGKXLGHIP-HNNXBMFYSA-N 1 2 344.459 3.393 20 30 EGEDLO C=CCOc1cccc(C[NH+]2CCN([C@H](C)C(F)(F)F)CC2)c1 ZINC000537623802 459366474 /nfs/dbraw/zinc/36/64/74/459366474.db2.gz AVTOUTIUHYDXII-CQSZACIVSA-N 1 2 328.378 3.320 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000595613474 459368660 /nfs/dbraw/zinc/36/86/60/459368660.db2.gz DSPAJVNOEVBUOM-GFCCVEGCSA-N 1 2 341.333 3.149 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000595613474 459368664 /nfs/dbraw/zinc/36/86/64/459368664.db2.gz DSPAJVNOEVBUOM-GFCCVEGCSA-N 1 2 341.333 3.149 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591407485 459372703 /nfs/dbraw/zinc/37/27/03/459372703.db2.gz JFFUPLMSMJQBFU-HKUYNNGSSA-N 1 2 349.438 3.179 20 30 EGEDLO Cn1cc[nH+]c1[C@H](CC(=O)Nc1ccc(CC#N)cc1)C(F)(F)F ZINC000561109132 459421290 /nfs/dbraw/zinc/42/12/90/459421290.db2.gz SDLFMMJGGRFFQC-ZDUSSCGKSA-N 1 2 336.317 3.161 20 30 EGEDLO C[C@@H](NC(=O)Cc1c[nH+]cn1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000569374656 459441039 /nfs/dbraw/zinc/44/10/39/459441039.db2.gz JAUQTEFDDGRTGC-OAHLLOKOSA-N 1 2 344.418 3.379 20 30 EGEDLO CCc1nc(C#N)cc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)n1 ZINC000596065523 459508002 /nfs/dbraw/zinc/50/80/02/459508002.db2.gz QYFPSOQZWPPSCJ-UHFFFAOYSA-N 1 2 332.411 3.171 20 30 EGEDLO CC#CC[N@H+](C)CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000583335993 459522638 /nfs/dbraw/zinc/52/26/38/459522638.db2.gz OLIYGJSDEXHJHE-UHFFFAOYSA-N 1 2 330.815 3.171 20 30 EGEDLO CC#CC[N@@H+](C)CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000583335993 459522642 /nfs/dbraw/zinc/52/26/42/459522642.db2.gz OLIYGJSDEXHJHE-UHFFFAOYSA-N 1 2 330.815 3.171 20 30 EGEDLO N#CCC1CC[NH+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)CC1 ZINC000542141529 459527927 /nfs/dbraw/zinc/52/79/27/459527927.db2.gz XOXKMNNAXHYGDR-UHFFFAOYSA-N 1 2 333.798 3.185 20 30 EGEDLO Cc1cc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)NC2CC2)ccc1C#N ZINC000592141914 459534653 /nfs/dbraw/zinc/53/46/53/459534653.db2.gz KFXOAJARAVWZCO-NRFANRHFSA-N 1 2 345.446 3.072 20 30 EGEDLO Cc1cc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)NC2CC2)ccc1C#N ZINC000592141914 459534661 /nfs/dbraw/zinc/53/46/61/459534661.db2.gz KFXOAJARAVWZCO-NRFANRHFSA-N 1 2 345.446 3.072 20 30 EGEDLO CCc1nc(C#N)cc(N2CCC[C@H](c3[nH]c4ccc(C)cc4[nH+]3)C2)n1 ZINC000596190617 459555199 /nfs/dbraw/zinc/55/51/99/459555199.db2.gz UKLDFDHRONAPRZ-AWEZNQCLSA-N 1 2 346.438 3.479 20 30 EGEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000489424785 459563888 /nfs/dbraw/zinc/56/38/88/459563888.db2.gz KPWNZBHSOOZZHA-KRWDZBQOSA-N 1 2 338.455 3.468 20 30 EGEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000489424785 459563892 /nfs/dbraw/zinc/56/38/92/459563892.db2.gz KPWNZBHSOOZZHA-KRWDZBQOSA-N 1 2 338.455 3.468 20 30 EGEDLO C#CCN(C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1)C1CCCC1 ZINC000490800524 459587321 /nfs/dbraw/zinc/58/73/21/459587321.db2.gz STHDKDAOARXXDI-GOSISDBHSA-N 1 2 336.439 3.097 20 30 EGEDLO C#CCN(Cc1ccc(F)cc1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000490923883 459591390 /nfs/dbraw/zinc/59/13/90/459591390.db2.gz MTGCYVGWKSCWMX-UHFFFAOYSA-N 1 2 347.393 3.346 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1cnn(CC(F)F)c1)c1ccc(Cl)cc1F ZINC000491181697 459603887 /nfs/dbraw/zinc/60/38/87/459603887.db2.gz VPJMOERVVFKJQA-CQSZACIVSA-N 1 2 327.737 3.405 20 30 EGEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc2oc(CC(C)(C)C)nc2c1 ZINC000572992884 459607429 /nfs/dbraw/zinc/60/74/29/459607429.db2.gz DPQKNFNPBRROSD-OAHLLOKOSA-N 1 2 344.459 3.035 20 30 EGEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc2oc(CC(C)(C)C)nc2c1 ZINC000572992884 459607432 /nfs/dbraw/zinc/60/74/32/459607432.db2.gz DPQKNFNPBRROSD-OAHLLOKOSA-N 1 2 344.459 3.035 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000491284419 459612582 /nfs/dbraw/zinc/61/25/82/459612582.db2.gz ONSOAPRPXXVQPU-UHFFFAOYSA-N 1 2 343.383 3.165 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000491284419 459612587 /nfs/dbraw/zinc/61/25/87/459612587.db2.gz ONSOAPRPXXVQPU-UHFFFAOYSA-N 1 2 343.383 3.165 20 30 EGEDLO N#Cc1cnn2cc(C[NH+]3CCC(=Cc4cccc(F)c4)CC3)cnc12 ZINC000592512601 459619360 /nfs/dbraw/zinc/61/93/60/459619360.db2.gz LIJRICCPJKUFCY-UHFFFAOYSA-N 1 2 347.397 3.419 20 30 EGEDLO C#C[C@H](NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1)c1ccc(Cl)cc1 ZINC000491654700 459646466 /nfs/dbraw/zinc/64/64/66/459646466.db2.gz GKDVAFCNZZSECA-JKSUJKDBSA-N 1 2 342.830 3.198 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cnc(-c3ccncc3)s2)n1 ZINC000491779709 459671842 /nfs/dbraw/zinc/67/18/42/459671842.db2.gz KCZZMQQECXLRSV-UHFFFAOYSA-N 1 2 337.452 3.057 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cnc(-c3ccncc3)s2)n1 ZINC000491779709 459671848 /nfs/dbraw/zinc/67/18/48/459671848.db2.gz KCZZMQQECXLRSV-UHFFFAOYSA-N 1 2 337.452 3.057 20 30 EGEDLO C#CCNC(=O)C1CC[NH+](Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000491806789 459677621 /nfs/dbraw/zinc/67/76/21/459677621.db2.gz RAUBCASSGBCPBK-UHFFFAOYSA-N 1 2 343.229 3.094 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000492573531 459710854 /nfs/dbraw/zinc/71/08/54/459710854.db2.gz YGHHWLDRYDLSSB-CQSZACIVSA-N 1 2 335.835 3.311 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000492573531 459710859 /nfs/dbraw/zinc/71/08/59/459710859.db2.gz YGHHWLDRYDLSSB-CQSZACIVSA-N 1 2 335.835 3.311 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NC1CC1 ZINC000593039088 459750488 /nfs/dbraw/zinc/75/04/88/459750488.db2.gz DEKBAICDKMJIJR-OAQYLSRUSA-N 1 2 345.446 3.072 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NC1CC1 ZINC000593039088 459750494 /nfs/dbraw/zinc/75/04/94/459750494.db2.gz DEKBAICDKMJIJR-OAQYLSRUSA-N 1 2 345.446 3.072 20 30 EGEDLO COC(=O)c1cccc(C[NH2+][C@H](c2nc(C)cs2)C2CC2)c1C#N ZINC000544438186 459760844 /nfs/dbraw/zinc/76/08/44/459760844.db2.gz FUNYFKWXBLGVED-INIZCTEOSA-N 1 2 341.436 3.351 20 30 EGEDLO CC1(C)CCCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)[C@@H]1C#N ZINC000573943541 459761301 /nfs/dbraw/zinc/76/13/01/459761301.db2.gz HKULMDRCGAQMEL-IAGOWNOFSA-N 1 2 336.439 3.472 20 30 EGEDLO Cc1ccc(-c2nc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cs2)c(C)c1 ZINC000565893928 459789381 /nfs/dbraw/zinc/78/93/81/459789381.db2.gz CJQHQAKRIRZOKU-SFHVURJKSA-N 1 2 342.468 3.001 20 30 EGEDLO C[C@@H](C#N)C[N@H+](C)Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000529524909 459830822 /nfs/dbraw/zinc/83/08/22/459830822.db2.gz LGQNURDVMNAMDN-VIFPVBQESA-N 1 2 339.262 3.492 20 30 EGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000529524909 459830825 /nfs/dbraw/zinc/83/08/25/459830825.db2.gz LGQNURDVMNAMDN-VIFPVBQESA-N 1 2 339.262 3.492 20 30 EGEDLO Cc1cn2ccc(NC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)cc2[nH+]1 ZINC000598468266 459904726 /nfs/dbraw/zinc/90/47/26/459904726.db2.gz FOTFOKIMRBWCMA-GOSISDBHSA-N 1 2 345.406 3.122 20 30 EGEDLO Cc1cc(N2CCN(C(=O)CCCCCC#N)CC2)nc(C(C)C)[nH+]1 ZINC000588147413 459919360 /nfs/dbraw/zinc/91/93/60/459919360.db2.gz DWKPRDKYJYBNBQ-UHFFFAOYSA-N 1 2 343.475 3.031 20 30 EGEDLO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1C ZINC000602481151 459959904 /nfs/dbraw/zinc/95/99/04/459959904.db2.gz FOUDOHVEVAGULB-QZTJIDSGSA-N 1 2 337.423 3.083 20 30 EGEDLO COC(=O)c1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1C ZINC000602481151 459959906 /nfs/dbraw/zinc/95/99/06/459959906.db2.gz FOUDOHVEVAGULB-QZTJIDSGSA-N 1 2 337.423 3.083 20 30 EGEDLO COc1ccc(CNc2cc3cc[nH]c3c[nH+]2)cc1OCCCC#N ZINC000593947795 460023387 /nfs/dbraw/zinc/02/33/87/460023387.db2.gz YCZMRWDZSHGGQF-UHFFFAOYSA-N 1 2 336.395 3.288 20 30 EGEDLO C=CCC[C@H]([NH2+][C@@H]1CCc2cc(OC)c(OC)cc21)C(=O)OCC ZINC000602681323 460063617 /nfs/dbraw/zinc/06/36/17/460063617.db2.gz OLMCTMSQXBPWRZ-CVEARBPZSA-N 1 2 333.428 3.179 20 30 EGEDLO Cc1cnn([C@@H]2CC[N@H+](Cc3c(C#N)c(C)nn3-c3ccccc3)C2)c1 ZINC000589309479 460069441 /nfs/dbraw/zinc/06/94/41/460069441.db2.gz IYDKOONHUHXODP-GOSISDBHSA-N 1 2 346.438 3.004 20 30 EGEDLO Cc1cnn([C@@H]2CC[N@@H+](Cc3c(C#N)c(C)nn3-c3ccccc3)C2)c1 ZINC000589309479 460069450 /nfs/dbraw/zinc/06/94/50/460069450.db2.gz IYDKOONHUHXODP-GOSISDBHSA-N 1 2 346.438 3.004 20 30 EGEDLO Cc1cccc2c1ncc(C#N)c2N1CCN(c2cccc[nH+]2)CC1 ZINC000610211160 460083985 /nfs/dbraw/zinc/08/39/85/460083985.db2.gz ZOQNAWIPMQQIEM-UHFFFAOYSA-N 1 2 329.407 3.137 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000576231012 460097420 /nfs/dbraw/zinc/09/74/20/460097420.db2.gz WMCJLQYCUGZDNV-LZWOXQAQSA-N 1 2 340.254 3.057 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000610346336 460127417 /nfs/dbraw/zinc/12/74/17/460127417.db2.gz AFFSTLZTHHVGCH-CQSZACIVSA-N 1 2 347.422 3.277 20 30 EGEDLO Cc1cccn2cc(CCNC(=O)N[C@H](C)c3cccc(C#N)c3)[nH+]c12 ZINC000610462235 460157068 /nfs/dbraw/zinc/15/70/68/460157068.db2.gz ZIRCXZBDMWSMJF-OAHLLOKOSA-N 1 2 347.422 3.117 20 30 EGEDLO CCC(CC)(CC)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000610752961 460230773 /nfs/dbraw/zinc/23/07/73/460230773.db2.gz SKXJSSAVMWQYJC-UHFFFAOYSA-N 1 2 327.472 3.419 20 30 EGEDLO Cc1sc(NC(=O)C[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)c(C#N)c1C ZINC000599512606 460265430 /nfs/dbraw/zinc/26/54/30/460265430.db2.gz LGHIVKGWWDUWCP-UWVGGRQHSA-N 1 2 341.427 3.398 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)CCOC(C)(C)C)c1C#N ZINC000611348350 460342119 /nfs/dbraw/zinc/34/21/19/460342119.db2.gz VFAJGEQFJNKZOQ-UHFFFAOYSA-N 1 2 326.444 3.299 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)CCOC(C)(C)C)c1C#N ZINC000611348350 460342122 /nfs/dbraw/zinc/34/21/22/460342122.db2.gz VFAJGEQFJNKZOQ-UHFFFAOYSA-N 1 2 326.444 3.299 20 30 EGEDLO C[C@H]([NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1)c1cccc(C#N)c1 ZINC000611388271 460351491 /nfs/dbraw/zinc/35/14/91/460351491.db2.gz MVOOQWYQJQUWKS-LBPRGKRZSA-N 1 2 348.362 3.188 20 30 EGEDLO Cn1cc(-c2nc(C[NH2+]C3(c4cccc(C#N)c4)CC3)cs2)cn1 ZINC000611396108 460354658 /nfs/dbraw/zinc/35/46/58/460354658.db2.gz ZPUQATAYAJREGE-UHFFFAOYSA-N 1 2 335.436 3.194 20 30 EGEDLO Cc1nc(CC[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cs1 ZINC000611553338 460395920 /nfs/dbraw/zinc/39/59/20/460395920.db2.gz XBPZLHVOUAOLJM-GOSISDBHSA-N 1 2 344.459 3.016 20 30 EGEDLO C=C[C@H](C(=O)OC)[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000619718754 460422519 /nfs/dbraw/zinc/42/25/19/460422519.db2.gz ZSDXBTMBFDWNOJ-CQSZACIVSA-N 1 2 338.245 3.140 20 30 EGEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000619718754 460422528 /nfs/dbraw/zinc/42/25/28/460422528.db2.gz ZSDXBTMBFDWNOJ-CQSZACIVSA-N 1 2 338.245 3.140 20 30 EGEDLO N#Cc1ccc(-n2ccc(NCc3c[nH+]c4ccccn34)n2)c(Cl)c1 ZINC000611765311 460455631 /nfs/dbraw/zinc/45/56/31/460455631.db2.gz SPELPNAORJRREU-UHFFFAOYSA-N 1 2 348.797 3.079 20 30 EGEDLO CCc1nnc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)s1 ZINC000612070125 460527379 /nfs/dbraw/zinc/52/73/79/460527379.db2.gz CLJWOYHENDWLEN-UHFFFAOYSA-N 1 2 328.441 3.016 20 30 EGEDLO N#Cc1cccc(/C=C/c2nc([C@@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000612991520 460796287 /nfs/dbraw/zinc/79/62/87/460796287.db2.gz ZGNJDQZNQUAFIW-FNQZAJIHSA-N 1 2 336.395 3.037 20 30 EGEDLO N#Cc1cccc(/C=C/c2nc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000612991520 460796291 /nfs/dbraw/zinc/79/62/91/460796291.db2.gz ZGNJDQZNQUAFIW-FNQZAJIHSA-N 1 2 336.395 3.037 20 30 EGEDLO CC(=O)c1cc(F)ccc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000608313106 461033655 /nfs/dbraw/zinc/03/36/55/461033655.db2.gz JVMIYQFMACRSSR-UHFFFAOYSA-N 1 2 337.398 3.222 20 30 EGEDLO C=CC[N@@H+](CCSc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000660071499 461569560 /nfs/dbraw/zinc/56/95/60/461569560.db2.gz ZJWLBLMHQXKTJY-AWEZNQCLSA-N 1 2 345.917 3.107 20 30 EGEDLO C=CC[N@H+](CCSc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000660071499 461569567 /nfs/dbraw/zinc/56/95/67/461569567.db2.gz ZJWLBLMHQXKTJY-AWEZNQCLSA-N 1 2 345.917 3.107 20 30 EGEDLO C=CCC1(CNc2cc(N3CCC(C)(O)CC3)nc[nH+]2)CCCC1 ZINC000663979453 461898717 /nfs/dbraw/zinc/89/87/17/461898717.db2.gz PPZXVRBMYPIUHP-UHFFFAOYSA-N 1 2 330.476 3.376 20 30 EGEDLO C=CCC1(CNc2cc(N3CCC(C)(O)CC3)[nH+]cn2)CCCC1 ZINC000663979453 461898722 /nfs/dbraw/zinc/89/87/22/461898722.db2.gz PPZXVRBMYPIUHP-UHFFFAOYSA-N 1 2 330.476 3.376 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000644675035 462033460 /nfs/dbraw/zinc/03/34/60/462033460.db2.gz RXCIDMVDZJPBOW-HNNXBMFYSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000644675035 462033464 /nfs/dbraw/zinc/03/34/64/462033464.db2.gz RXCIDMVDZJPBOW-HNNXBMFYSA-N 1 2 333.476 3.433 20 30 EGEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000181194065 534137623 /nfs/dbraw/zinc/13/76/23/534137623.db2.gz QJJAYMXNCMYOGV-CYBMUJFWSA-N 1 2 342.830 3.059 20 30 EGEDLO C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000153281667 526355668 /nfs/dbraw/zinc/35/56/68/526355668.db2.gz WLGLTFGGDQZVPM-SFHVURJKSA-N 1 2 336.439 3.058 20 30 EGEDLO C#CCCCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000154460099 526702966 /nfs/dbraw/zinc/70/29/66/526702966.db2.gz ZEOZXWQNLWUITG-RTBURBONSA-N 1 2 336.439 3.214 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@](CC)(CO)C1 ZINC000187613398 527011655 /nfs/dbraw/zinc/01/16/55/527011655.db2.gz WUUWQZDRRNTNKI-LJQANCHMSA-N 1 2 348.512 3.388 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@](CC)(CO)C1 ZINC000187613398 527011659 /nfs/dbraw/zinc/01/16/59/527011659.db2.gz WUUWQZDRRNTNKI-LJQANCHMSA-N 1 2 348.512 3.388 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1OCCc2sccc21 ZINC000329081629 547489320 /nfs/dbraw/zinc/48/93/20/547489320.db2.gz RUIQWERKCJBNPC-OZVIIMIRSA-N 1 2 331.441 3.166 20 30 EGEDLO O=C(N[C@@H]1CSc2ccccc21)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329558861 547500152 /nfs/dbraw/zinc/50/01/52/547500152.db2.gz LOZQSSUPVOGYQW-GXTWGEPZSA-N 1 2 328.441 3.350 20 30 EGEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCc2sc(C)nc2C)C1 ZINC000329778969 547506748 /nfs/dbraw/zinc/50/67/48/547506748.db2.gz QPSKRIITAWMWPC-CQSZACIVSA-N 1 2 347.488 3.270 20 30 EGEDLO COc1ccc2c(c1NC(=O)NCc1cn3c([nH+]1)CCCC3)CCC2 ZINC000330120192 547513995 /nfs/dbraw/zinc/51/39/95/547513995.db2.gz IURKTXNYBYNTFF-UHFFFAOYSA-N 1 2 340.427 3.243 20 30 EGEDLO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000333633822 547539743 /nfs/dbraw/zinc/53/97/43/547539743.db2.gz RIEHFJALTPJHLP-FPMFFAJLSA-N 1 2 337.345 3.093 20 30 EGEDLO C=CCOc1ccc(C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000673723092 548604880 /nfs/dbraw/zinc/60/48/80/548604880.db2.gz PDBFWEMTEYUHBY-UHFFFAOYSA-N 1 2 335.407 3.180 20 30 EGEDLO C#Cc1cccc(NC(=S)NCc2ccc(N(CC)CC)[nH+]c2)c1 ZINC000726466008 574557892 /nfs/dbraw/zinc/55/78/92/574557892.db2.gz PSCWYEZRRPSPBD-UHFFFAOYSA-N 1 2 338.480 3.396 20 30 EGEDLO C=CCN(C(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1)C(C)C ZINC000726714826 574567655 /nfs/dbraw/zinc/56/76/55/574567655.db2.gz IXDRECBINFJGGU-UHFFFAOYSA-N 1 2 331.460 3.270 20 30 EGEDLO O=C(/C=C\c1[nH+]ccn1CC(F)(F)F)c1ccc2c(c1)CCC(=O)N2 ZINC000728698496 574767438 /nfs/dbraw/zinc/76/74/38/574767438.db2.gz KKTFBNWYCVYALS-PLNGDYQASA-N 1 2 349.312 3.226 20 30 EGEDLO C#Cc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cn1 ZINC000728861753 574779831 /nfs/dbraw/zinc/77/98/31/574779831.db2.gz NQNSXKSJCNNJQN-ZDUSSCGKSA-N 1 2 340.452 3.004 20 30 EGEDLO C#Cc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cn1 ZINC000728861753 574779833 /nfs/dbraw/zinc/77/98/33/574779833.db2.gz NQNSXKSJCNNJQN-ZDUSSCGKSA-N 1 2 340.452 3.004 20 30 EGEDLO C=C(Br)CN1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000729032471 574807660 /nfs/dbraw/zinc/80/76/60/574807660.db2.gz AXEOOCFOZJUZGL-AWEZNQCLSA-N 1 2 339.277 3.282 20 30 EGEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c1=S ZINC000729468326 574863046 /nfs/dbraw/zinc/86/30/46/574863046.db2.gz COWHIIMNOSUKBC-OAHLLOKOSA-N 1 2 332.448 3.495 20 30 EGEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c1=S ZINC000729468326 574863047 /nfs/dbraw/zinc/86/30/47/574863047.db2.gz COWHIIMNOSUKBC-OAHLLOKOSA-N 1 2 332.448 3.495 20 30 EGEDLO COc1ccc(O)c(/C=[NH+]\C[C@H](NC(=O)OC(C)(C)C)C(C)C)c1 ZINC000734366429 575474618 /nfs/dbraw/zinc/47/46/18/575474618.db2.gz RNEHBVWHAMBLMR-HNIBHBHRSA-N 1 2 336.432 3.369 20 30 EGEDLO C=CCSc1nc2ccccc2n1C[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000736593846 575988075 /nfs/dbraw/zinc/98/80/75/575988075.db2.gz IBQLQIYLUZAQNL-XXAQJILISA-N 1 2 349.525 3.113 20 30 EGEDLO C=CCSc1nc2ccccc2n1C[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000736593846 575988077 /nfs/dbraw/zinc/98/80/77/575988077.db2.gz IBQLQIYLUZAQNL-XXAQJILISA-N 1 2 349.525 3.113 20 30 EGEDLO CCCCCCCC[N@@H+]1CCNC(=O)[C@@H]1c1c(C)nc2ccccn21 ZINC000740877670 576632793 /nfs/dbraw/zinc/63/27/93/576632793.db2.gz WLTXHCHGSIGMRI-IBGZPJMESA-N 1 2 342.487 3.476 20 30 EGEDLO CCCCCCCC[N@H+]1CCNC(=O)[C@@H]1c1c(C)nc2ccccn21 ZINC000740877670 576632794 /nfs/dbraw/zinc/63/27/94/576632794.db2.gz WLTXHCHGSIGMRI-IBGZPJMESA-N 1 2 342.487 3.476 20 30 EGEDLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccc(C#N)o2)CC1 ZINC000831867933 1292930146 /nfs/dbraw/zinc/93/01/46/1292930146.db2.gz HMQVXVLYLHBANH-QGZVFWFLSA-N 1 2 341.386 3.199 20 30 EGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc(C#N)ccc2F)CC1 ZINC000832242296 1292975591 /nfs/dbraw/zinc/97/55/91/1292975591.db2.gz AGYUWRRTZOGBBT-ZDUSSCGKSA-N 1 2 343.427 3.278 20 30 EGEDLO CCc1ccccc1NC(=O)CO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000106067188 1293048231 /nfs/dbraw/zinc/04/82/31/1293048231.db2.gz PCJUEJGGYHNCSG-UHFFFAOYSA-N 1 2 345.830 3.372 20 30 EGEDLO Cc1cc(CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)no1 ZINC000123406910 1293442968 /nfs/dbraw/zinc/44/29/68/1293442968.db2.gz VPDAZKOXFVDKMF-UHFFFAOYSA-N 1 2 337.379 3.399 20 30 EGEDLO COc1cc(C(=O)/C=C/c2c[nH+]c3ccc(C)cn23)c(OC)cc1O ZINC000151452794 1293924971 /nfs/dbraw/zinc/92/49/71/1293924971.db2.gz VVPGQKDORJPABJ-AATRIKPKSA-N 1 2 338.363 3.262 20 30 EGEDLO C#CCOc1ccc(F)cc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000152973836 1293993395 /nfs/dbraw/zinc/99/33/95/1293993395.db2.gz QSHHIHIPEGXMMJ-UHFFFAOYSA-N 1 2 349.365 3.335 20 30 EGEDLO Cc1ccc(NC(=O)CO[NH+]=C(N)c2ccc(F)cc2)c(Cl)c1 ZINC000198441743 1296086148 /nfs/dbraw/zinc/08/61/48/1296086148.db2.gz CKTFWMVMKGGXGO-UHFFFAOYSA-N 1 2 335.766 3.063 20 30 EGEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1cnn(Cc2ccccc2)c1 ZINC000255138298 1296503458 /nfs/dbraw/zinc/50/34/58/1296503458.db2.gz CAWQYKHOFSSGMU-KTKRTIGZSA-N 1 2 328.375 3.475 20 30 EGEDLO C[C@@H]1CCc2nc(NC(=O)NCc3ccn4cc[nH+]c4c3)sc2C1 ZINC000329657322 1297262915 /nfs/dbraw/zinc/26/29/15/1297262915.db2.gz GSNIQLSOZHTSDE-LLVKDONJSA-N 1 2 341.440 3.442 20 30 EGEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000444921410 1297863746 /nfs/dbraw/zinc/86/37/46/1297863746.db2.gz LZQZPJIUSRONTO-ZDUSSCGKSA-N 1 2 343.818 3.357 20 30 EGEDLO CC(C)(O)C1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000716396457 1298298335 /nfs/dbraw/zinc/29/83/35/1298298335.db2.gz FDPMOOGSAUOVMR-UHFFFAOYSA-N 1 2 337.261 3.304 20 30 EGEDLO CCn1cnn(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c1=S ZINC000746055914 1298520663 /nfs/dbraw/zinc/52/06/63/1298520663.db2.gz KRDCDTYVYPVJHH-UHFFFAOYSA-N 1 2 329.473 3.421 20 30 EGEDLO CCn1cnn(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)c1=S ZINC000746055914 1298520675 /nfs/dbraw/zinc/52/06/75/1298520675.db2.gz KRDCDTYVYPVJHH-UHFFFAOYSA-N 1 2 329.473 3.421 20 30 EGEDLO Cn1c[nH+]cc1COC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000747782438 1298859954 /nfs/dbraw/zinc/85/99/54/1298859954.db2.gz IOYVAIUELOKMHT-UHFFFAOYSA-N 1 2 347.374 3.228 20 30 EGEDLO Cc1nc2ccccc2c(=O)n1N=Cc1[nH+]c(C(C)C)n2ccccc12 ZINC000755485655 1300344925 /nfs/dbraw/zinc/34/49/25/1300344925.db2.gz CXJLSEKWDIVJBI-UHFFFAOYSA-N 1 2 345.406 3.358 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(F)CC1 ZINC000880240773 1300998099 /nfs/dbraw/zinc/99/80/99/1300998099.db2.gz LIEWDAKQRFQOEJ-ZDUSSCGKSA-N 1 2 335.448 3.453 20 30 EGEDLO C[C@@H]1CCN(C(=O)Nc2cc(C#N)c(F)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000880714421 1301237686 /nfs/dbraw/zinc/23/76/86/1301237686.db2.gz QAGQFTYVRGLXQV-BDJLRTHQSA-N 1 2 345.353 3.148 20 30 EGEDLO CC(C)CC1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000760925341 1301363042 /nfs/dbraw/zinc/36/30/42/1301363042.db2.gz KHFWSCXIXBCCGO-UHFFFAOYSA-N 1 2 334.485 3.090 20 30 EGEDLO COc1cc(OC(=O)c2cccc(Cn3cc[nH+]c3)c2)ccc1C#N ZINC000767167684 1302596946 /nfs/dbraw/zinc/59/69/46/1302596946.db2.gz WOMAAIIGGLNFJT-UHFFFAOYSA-N 1 2 333.347 3.031 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)CC2CCCC2)C[C@@H]1C ZINC000947015044 1332973956 /nfs/dbraw/zinc/97/39/56/1332973956.db2.gz ZGEBOGDMMPYTAF-DZGCQCFKSA-N 1 2 343.309 3.444 20 30 EGEDLO S=C(N[NH+]=Cc1ccc(N2CCCCC2)cc1)Nc1ccccn1 ZINC000767804169 1302766810 /nfs/dbraw/zinc/76/68/10/1302766810.db2.gz WAFBKNXKDMODAL-UHFFFAOYSA-N 1 2 339.468 3.392 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CC2)C[C@@H]1C ZINC000947635430 1333202700 /nfs/dbraw/zinc/20/27/00/1333202700.db2.gz VLHAMJUDXBTWIN-JSGCOSHPSA-N 1 2 343.309 3.300 20 30 EGEDLO COc1cc2c(cc1O)CC[N@H+](Cc1ccc(C#N)cc1Cl)C2 ZINC000887106773 1303679313 /nfs/dbraw/zinc/67/93/13/1303679313.db2.gz MWNWQLZZRXOAEX-UHFFFAOYSA-N 1 2 328.799 3.484 20 30 EGEDLO COc1cc2c(cc1O)CC[N@@H+](Cc1ccc(C#N)cc1Cl)C2 ZINC000887106773 1303679319 /nfs/dbraw/zinc/67/93/19/1303679319.db2.gz MWNWQLZZRXOAEX-UHFFFAOYSA-N 1 2 328.799 3.484 20 30 EGEDLO C#C[C@H]([NH2+]Cc1coc(-c2ccc(OCC)cc2)n1)[C@@H]1CCCO1 ZINC000775788122 1304037188 /nfs/dbraw/zinc/03/71/88/1304037188.db2.gz CPKSLZLUGXWDPG-ROUUACIJSA-N 1 2 326.396 3.011 20 30 EGEDLO C#C[C@H]([NH2+]Cc1csc(Nc2ccccc2C)n1)[C@H]1CCCO1 ZINC000775800808 1304039272 /nfs/dbraw/zinc/03/92/72/1304039272.db2.gz RDLRPBKSTOFSOG-DOTOQJQBSA-N 1 2 327.453 3.466 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1nc(-c2c(F)cccc2F)cs1)[C@H]1CCCO1 ZINC000775795355 1304039891 /nfs/dbraw/zinc/03/98/91/1304039891.db2.gz WLLYEGIATJSOKK-UKRRQHHQSA-N 1 2 334.391 3.359 20 30 EGEDLO CCN(C)c1ccc(C(C)=[NH+]Nc2cccc(S(C)(=O)=O)c2)cc1 ZINC000776264610 1304123268 /nfs/dbraw/zinc/12/32/68/1304123268.db2.gz YLQOUCRTQVQDGN-UHFFFAOYSA-N 1 2 345.468 3.382 20 30 EGEDLO C#CCCCCCC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000779874533 1304617322 /nfs/dbraw/zinc/61/73/22/1304617322.db2.gz ZWCGYXUJUFISQQ-UHFFFAOYSA-N 1 2 342.483 3.313 20 30 EGEDLO Cc1ccc2[nH+]cc(C=CC(=O)c3ccc(N4CCNC4=O)cc3)n2c1 ZINC000782367308 1304962887 /nfs/dbraw/zinc/96/28/87/1304962887.db2.gz YMDRXCKKTFCZEO-BQYQJAHWSA-N 1 2 346.390 3.068 20 30 EGEDLO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccc(O)c(F)c3)CC2)cc1 ZINC000891540956 1305084516 /nfs/dbraw/zinc/08/45/16/1305084516.db2.gz XLLMVYWSAYPKLP-UHFFFAOYSA-N 1 2 339.414 3.111 20 30 EGEDLO N#Cc1ccc(CN2CCC[N@H+](Cc3ccc(O)c(F)c3)CC2)cc1 ZINC000891540956 1305084522 /nfs/dbraw/zinc/08/45/22/1305084522.db2.gz XLLMVYWSAYPKLP-UHFFFAOYSA-N 1 2 339.414 3.111 20 30 EGEDLO Cc1ccc2[nH+]cc(CN=Nc3nnc(-c4ccccn4)s3)n2c1 ZINC000788026436 1305848253 /nfs/dbraw/zinc/84/82/53/1305848253.db2.gz BIWKXCZZFYXAFV-UHFFFAOYSA-N 1 2 335.396 3.002 20 30 EGEDLO COc1cc(C=NNc2[nH+]ccn2C)ccc1OCc1ccccc1 ZINC000790300447 1306293811 /nfs/dbraw/zinc/29/38/11/1306293811.db2.gz SUUVSCVDFIOOPP-UHFFFAOYSA-N 1 2 336.395 3.454 20 30 EGEDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)COc1ccccc1C#N ZINC000791268844 1308943873 /nfs/dbraw/zinc/94/38/73/1308943873.db2.gz ZORLFZHNOBXZDN-UHFFFAOYSA-N 1 2 347.374 3.175 20 30 EGEDLO Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1C=[NH+]N[C@H](C)C(C)(C)C ZINC000793117033 1309298105 /nfs/dbraw/zinc/29/81/05/1309298105.db2.gz WNXSMLZSSMEOFG-CYBMUJFWSA-N 1 2 349.438 3.319 20 30 EGEDLO Cn1c(CC#N)nn(C[N@@H+]2CCC[C@@H]2CCC2CCCC2)c1=S ZINC000794633284 1309560277 /nfs/dbraw/zinc/56/02/77/1309560277.db2.gz LVUWKUHNFVRHAU-OAHLLOKOSA-N 1 2 333.505 3.409 20 30 EGEDLO Cn1c(CC#N)nn(C[N@H+]2CCC[C@@H]2CCC2CCCC2)c1=S ZINC000794633284 1309560283 /nfs/dbraw/zinc/56/02/83/1309560283.db2.gz LVUWKUHNFVRHAU-OAHLLOKOSA-N 1 2 333.505 3.409 20 30 EGEDLO CC(C)[C@H]1c2ccccc2CC[N@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794635562 1309562416 /nfs/dbraw/zinc/56/24/16/1309562416.db2.gz XOMDUAOWYQNABM-KRWDZBQOSA-N 1 2 341.484 3.230 20 30 EGEDLO CC(C)[C@H]1c2ccccc2CC[N@@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794635562 1309562424 /nfs/dbraw/zinc/56/24/24/1309562424.db2.gz XOMDUAOWYQNABM-KRWDZBQOSA-N 1 2 341.484 3.230 20 30 EGEDLO C[NH+](C)Cc1cnc(/C=C2\COc3c(F)ccc(F)c3C2=O)s1 ZINC000794710918 1309579810 /nfs/dbraw/zinc/57/98/10/1309579810.db2.gz KSFIRDFDDNZEPT-WEVVVXLNSA-N 1 2 336.363 3.142 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(Cl)nc(Cl)c3)C2)nc1 ZINC000794830995 1309603743 /nfs/dbraw/zinc/60/37/43/1309603743.db2.gz BDMNVHOMQXDGCS-CYBMUJFWSA-N 1 2 349.221 3.308 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(Cl)nc(Cl)c3)C2)nc1 ZINC000794830995 1309603749 /nfs/dbraw/zinc/60/37/49/1309603749.db2.gz BDMNVHOMQXDGCS-CYBMUJFWSA-N 1 2 349.221 3.308 20 30 EGEDLO N#Cc1cnc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)s1 ZINC000896481650 1309876555 /nfs/dbraw/zinc/87/65/55/1309876555.db2.gz PNAKCOIQWJSASN-OAHLLOKOSA-N 1 2 326.425 3.008 20 30 EGEDLO N#Cc1cnc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)s1 ZINC000896481650 1309876562 /nfs/dbraw/zinc/87/65/62/1309876562.db2.gz PNAKCOIQWJSASN-OAHLLOKOSA-N 1 2 326.425 3.008 20 30 EGEDLO CN(C)c1cc(COC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc[nH+]1 ZINC000797255206 1310163935 /nfs/dbraw/zinc/16/39/35/1310163935.db2.gz HICDLTVSESAEPT-UHFFFAOYSA-N 1 2 341.386 3.179 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](C)C2CCCC2)c1=S ZINC000798193964 1310316846 /nfs/dbraw/zinc/31/68/46/1310316846.db2.gz TWCTWVURYHFBJX-UHFFFAOYSA-N 1 2 329.473 3.494 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](C)C2CCCC2)c1=S ZINC000798193964 1310316849 /nfs/dbraw/zinc/31/68/49/1310316849.db2.gz TWCTWVURYHFBJX-UHFFFAOYSA-N 1 2 329.473 3.494 20 30 EGEDLO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1C ZINC000798274883 1310333329 /nfs/dbraw/zinc/33/33/29/1310333329.db2.gz LKELPDKHEOTCAN-IAGOWNOFSA-N 1 2 329.444 3.152 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC000798276133 1310335151 /nfs/dbraw/zinc/33/51/51/1310335151.db2.gz YPECXYKMHREPNP-AEFFLSMTSA-N 1 2 341.455 3.413 20 30 EGEDLO CC[N@H+](C)[C@@H](C(=O)OCCCC1(C#N)CCOCC1)c1ccccc1 ZINC000800173853 1310691591 /nfs/dbraw/zinc/69/15/91/1310691591.db2.gz LAMCWYHWLSLMPQ-GOSISDBHSA-N 1 2 344.455 3.323 20 30 EGEDLO CC[N@@H+](C)[C@@H](C(=O)OCCCC1(C#N)CCOCC1)c1ccccc1 ZINC000800173853 1310691597 /nfs/dbraw/zinc/69/15/97/1310691597.db2.gz LAMCWYHWLSLMPQ-GOSISDBHSA-N 1 2 344.455 3.323 20 30 EGEDLO CC[N@H+](C)[C@H](C(=O)OCCCC1(C#N)CCOCC1)c1ccccc1 ZINC000800173854 1310691665 /nfs/dbraw/zinc/69/16/65/1310691665.db2.gz LAMCWYHWLSLMPQ-SFHVURJKSA-N 1 2 344.455 3.323 20 30 EGEDLO CC[N@@H+](C)[C@H](C(=O)OCCCC1(C#N)CCOCC1)c1ccccc1 ZINC000800173854 1310691673 /nfs/dbraw/zinc/69/16/73/1310691673.db2.gz LAMCWYHWLSLMPQ-SFHVURJKSA-N 1 2 344.455 3.323 20 30 EGEDLO CN(C)c1nc(C[NH2+]CC2(CC#N)CC2)c(Cl)n1-c1ccccc1 ZINC000802652086 1317022081 /nfs/dbraw/zinc/02/20/81/1317022081.db2.gz KVWHPHKMBUTJDQ-UHFFFAOYSA-N 1 2 343.862 3.375 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc3c(s2)CC[C@@H](C)C3)C1 ZINC000957375681 1317322973 /nfs/dbraw/zinc/32/29/73/1317322973.db2.gz GJAPYWDQULABFL-CQSZACIVSA-N 1 2 330.497 3.043 20 30 EGEDLO C=C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000957743842 1317607639 /nfs/dbraw/zinc/60/76/39/1317607639.db2.gz AKMGQWFKHXVUIG-NRFANRHFSA-N 1 2 345.446 3.172 20 30 EGEDLO N#CCOc1ccccc1-c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000809403185 1317811943 /nfs/dbraw/zinc/81/19/43/1317811943.db2.gz BULMBCJGUXIQKG-UHFFFAOYSA-N 1 2 343.346 3.492 20 30 EGEDLO C=CC[N@@H+](Cc1ccccc1)CN1C(=O)C2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000811732311 1318242792 /nfs/dbraw/zinc/24/27/92/1318242792.db2.gz PDSOLLOGCCYVLW-RTBURBONSA-N 1 2 340.467 3.192 20 30 EGEDLO C=CC[N@H+](Cc1ccccc1)CN1C(=O)C2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000811732311 1318242799 /nfs/dbraw/zinc/24/27/99/1318242799.db2.gz PDSOLLOGCCYVLW-RTBURBONSA-N 1 2 340.467 3.192 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)nc1 ZINC000907816651 1318266583 /nfs/dbraw/zinc/26/65/83/1318266583.db2.gz VZSKCRMXRHTGBA-INIZCTEOSA-N 1 2 348.450 3.121 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)nc1 ZINC000907816651 1318266587 /nfs/dbraw/zinc/26/65/87/1318266587.db2.gz VZSKCRMXRHTGBA-INIZCTEOSA-N 1 2 348.450 3.121 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)CCC1CC1 ZINC000960494434 1318603294 /nfs/dbraw/zinc/60/32/94/1318603294.db2.gz VDQFOJTVVSTHOR-IBGZPJMESA-N 1 2 343.446 3.310 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)CCC1CC1 ZINC000960494434 1318603303 /nfs/dbraw/zinc/60/33/03/1318603303.db2.gz VDQFOJTVVSTHOR-IBGZPJMESA-N 1 2 343.446 3.310 20 30 EGEDLO CC(C)[C@@H](F)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000960801031 1318913830 /nfs/dbraw/zinc/91/38/30/1318913830.db2.gz CCZAUVSUDCPSJI-ZWKOTPCHSA-N 1 2 349.425 3.114 20 30 EGEDLO CC(C)[C@@H](F)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000960801031 1318913836 /nfs/dbraw/zinc/91/38/36/1318913836.db2.gz CCZAUVSUDCPSJI-ZWKOTPCHSA-N 1 2 349.425 3.114 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ncc(CC)o1 ZINC000960830386 1318961475 /nfs/dbraw/zinc/96/14/75/1318961475.db2.gz BHFAOFKGWIUXGU-HNAYVOBHSA-N 1 2 333.476 3.262 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ncc(CC)o1 ZINC000960830386 1318961486 /nfs/dbraw/zinc/96/14/86/1318961486.db2.gz BHFAOFKGWIUXGU-HNAYVOBHSA-N 1 2 333.476 3.262 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2nc(C)oc2C)CC1 ZINC000960832890 1318962647 /nfs/dbraw/zinc/96/26/47/1318962647.db2.gz PXVQASSLSKHRCU-SFHVURJKSA-N 1 2 345.487 3.461 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2nc(C)oc2C)CC1 ZINC000960832890 1318962657 /nfs/dbraw/zinc/96/26/57/1318962657.db2.gz PXVQASSLSKHRCU-SFHVURJKSA-N 1 2 345.487 3.461 20 30 EGEDLO C[C@H]1CCCC[C@H]1N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000914596190 1319352372 /nfs/dbraw/zinc/35/23/72/1319352372.db2.gz CXLYSDXTQOZKIL-UONOGXRCSA-N 1 2 338.455 3.225 20 30 EGEDLO COCC[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)CC(C)C ZINC000917100034 1319757193 /nfs/dbraw/zinc/75/71/93/1319757193.db2.gz AGMGTVYQHSDMMK-AWEZNQCLSA-N 1 2 345.468 3.077 20 30 EGEDLO COCC[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)CC(C)C ZINC000917100034 1319757204 /nfs/dbraw/zinc/75/72/04/1319757204.db2.gz AGMGTVYQHSDMMK-AWEZNQCLSA-N 1 2 345.468 3.077 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](O)c1ccc(OC)cc1 ZINC000820623895 1319924078 /nfs/dbraw/zinc/92/40/78/1319924078.db2.gz GPMLXFSUWNSDTP-KRWDZBQOSA-N 1 2 326.396 3.028 20 30 EGEDLO Cc1nsc(N2CC[NH+](CC[C@H]3CC3(Cl)Cl)CC2)c1C#N ZINC000823157520 1320158510 /nfs/dbraw/zinc/15/85/10/1320158510.db2.gz TXYKFXUHIZSFLN-NSHDSACASA-N 1 2 345.299 3.029 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)[C@@H]2C1 ZINC000823535323 1320185864 /nfs/dbraw/zinc/18/58/64/1320185864.db2.gz JZOYQBGJRJKTAW-SJLPKXTDSA-N 1 2 344.430 3.118 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)[C@@H]2C1 ZINC000823535323 1320185867 /nfs/dbraw/zinc/18/58/67/1320185867.db2.gz JZOYQBGJRJKTAW-SJLPKXTDSA-N 1 2 344.430 3.118 20 30 EGEDLO C#C[C@@H](NC(=O)N(C)CCCc1[nH+]ccn1CCC)c1ccccc1 ZINC000827234722 1320436604 /nfs/dbraw/zinc/43/66/04/1320436604.db2.gz FFMFZRMKVCUNKI-GOSISDBHSA-N 1 2 338.455 3.242 20 30 EGEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)C#CC(C)(C)C)C[C@H](C)O1 ZINC000837349863 1320601704 /nfs/dbraw/zinc/60/17/04/1320601704.db2.gz QEKMZSXUDSSOQT-HOTGVXAUSA-N 1 2 328.456 3.284 20 30 EGEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nc(-c2ccccc2)cs1 ZINC000840739012 1321138538 /nfs/dbraw/zinc/13/85/38/1321138538.db2.gz ZXEZKLPGGVRWAJ-CQSZACIVSA-N 1 2 333.482 3.109 20 30 EGEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nc(-c2ccccc2)cs1 ZINC000840739012 1321138539 /nfs/dbraw/zinc/13/85/39/1321138539.db2.gz ZXEZKLPGGVRWAJ-CQSZACIVSA-N 1 2 333.482 3.109 20 30 EGEDLO C#CCOc1ccc([C@@H](C)[NH2+]Cc2nccc(C(F)(F)F)n2)cc1 ZINC000840867033 1321165657 /nfs/dbraw/zinc/16/56/57/1321165657.db2.gz XKZKLUXEYIURFN-GFCCVEGCSA-N 1 2 335.329 3.358 20 30 EGEDLO COc1c(C)c[nH+]c(CNC(=O)Nc2scc(C)c2C#N)c1C ZINC000847187850 1321849811 /nfs/dbraw/zinc/84/98/11/1321849811.db2.gz LHZIJHVCMIRJGA-UHFFFAOYSA-N 1 2 330.413 3.270 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)OC[C@H]1Cc1ccccc1 ZINC000848475651 1321961276 /nfs/dbraw/zinc/96/12/76/1321961276.db2.gz PWMCJMHOZMYQHW-LJQANCHMSA-N 1 2 335.407 3.011 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)OC[C@H]1Cc1ccccc1 ZINC000848475651 1321961278 /nfs/dbraw/zinc/96/12/78/1321961278.db2.gz PWMCJMHOZMYQHW-LJQANCHMSA-N 1 2 335.407 3.011 20 30 EGEDLO N#Cc1ccc(Br)c(C[NH2+][C@H]2CCCc3cn[nH]c32)c1 ZINC000921858769 1322413975 /nfs/dbraw/zinc/41/39/75/1322413975.db2.gz AYBBICRYQWTOFN-AWEZNQCLSA-N 1 2 331.217 3.211 20 30 EGEDLO N#Cc1ccc(Br)c(C[NH2+][C@H]2CCCc3c[nH]nc32)c1 ZINC000921858769 1322413980 /nfs/dbraw/zinc/41/39/80/1322413980.db2.gz AYBBICRYQWTOFN-AWEZNQCLSA-N 1 2 331.217 3.211 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC001024695357 1323611515 /nfs/dbraw/zinc/61/15/15/1323611515.db2.gz UBXWULUNGKKNHP-IKGGRYGDSA-N 1 2 340.895 3.081 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC001024695357 1323611522 /nfs/dbraw/zinc/61/15/22/1323611522.db2.gz UBXWULUNGKKNHP-IKGGRYGDSA-N 1 2 340.895 3.081 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC001024712297 1323619334 /nfs/dbraw/zinc/61/93/34/1323619334.db2.gz TWZYUMGIPVYVKL-YOEHRIQHSA-N 1 2 348.874 3.347 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC001024712297 1323619343 /nfs/dbraw/zinc/61/93/43/1323619343.db2.gz TWZYUMGIPVYVKL-YOEHRIQHSA-N 1 2 348.874 3.347 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2[nH]c(C)nc2c1 ZINC001024734339 1323635496 /nfs/dbraw/zinc/63/54/96/1323635496.db2.gz WHDKDDOAAUCWOW-HNNXBMFYSA-N 1 2 346.862 3.208 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2[nH]c(C)nc2c1 ZINC001024734339 1323635503 /nfs/dbraw/zinc/63/55/03/1323635503.db2.gz WHDKDDOAAUCWOW-HNNXBMFYSA-N 1 2 346.862 3.208 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc2[nH]c(C)nc21 ZINC001024748620 1323651481 /nfs/dbraw/zinc/65/14/81/1323651481.db2.gz LGQFAYLIVUDJLU-AWEZNQCLSA-N 1 2 346.862 3.208 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc2[nH]c(C)nc21 ZINC001024748620 1323651486 /nfs/dbraw/zinc/65/14/86/1323651486.db2.gz LGQFAYLIVUDJLU-AWEZNQCLSA-N 1 2 346.862 3.208 20 30 EGEDLO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cnc(-c2ccco2)s1 ZINC001024769664 1323668686 /nfs/dbraw/zinc/66/86/86/1323668686.db2.gz KQPIADFJKUVRKQ-AWEZNQCLSA-N 1 2 343.452 3.011 20 30 EGEDLO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1cnc(-c2ccco2)s1 ZINC001024769664 1323668692 /nfs/dbraw/zinc/66/86/92/1323668692.db2.gz KQPIADFJKUVRKQ-AWEZNQCLSA-N 1 2 343.452 3.011 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCCC[C@H]1C[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001025041025 1323842910 /nfs/dbraw/zinc/84/29/10/1323842910.db2.gz RGHBSSMIPKVZBB-AWEZNQCLSA-N 1 2 348.491 3.050 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nnc(C2CC2)o1 ZINC001025069824 1323870357 /nfs/dbraw/zinc/87/03/57/1323870357.db2.gz PZHDDGOYVIKCSK-BEFAXECRSA-N 1 2 346.475 3.020 20 30 EGEDLO Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1C=[NH+]N1CCCC[C@@H]1C ZINC000853380129 1325087058 /nfs/dbraw/zinc/08/70/58/1325087058.db2.gz NSLZKKFPYNWLAX-ZDUSSCGKSA-N 1 2 347.422 3.169 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000853450601 1325094109 /nfs/dbraw/zinc/09/41/09/1325094109.db2.gz FBCMKFULWWEPRB-YJBOKZPZSA-N 1 2 332.469 3.340 20 30 EGEDLO C=CCCOCCCCC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927084634 1327853854 /nfs/dbraw/zinc/85/38/54/1327853854.db2.gz APDLVNLZODGLQS-UHFFFAOYSA-N 1 2 331.460 3.248 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3ncc(CC)o3)C2)CC1 ZINC001027558762 1327869580 /nfs/dbraw/zinc/86/95/80/1327869580.db2.gz FVZRKQFCJIDNCK-QGZVFWFLSA-N 1 2 345.487 3.406 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@H+](C)Cc3ncc(CC)o3)C2)CC1 ZINC001027558762 1327869592 /nfs/dbraw/zinc/86/95/92/1327869592.db2.gz FVZRKQFCJIDNCK-QGZVFWFLSA-N 1 2 345.487 3.406 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2(CC)CC2)C1 ZINC001027562914 1327882645 /nfs/dbraw/zinc/88/26/45/1327882645.db2.gz YVSDRNPEGDDEOG-CYBMUJFWSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)C2(CC)CC2)C1 ZINC001027562914 1327882646 /nfs/dbraw/zinc/88/26/46/1327882646.db2.gz YVSDRNPEGDDEOG-CYBMUJFWSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]([N@@H+](C)[C@H](C)c3nnc(C)s3)C2)C1 ZINC001027567766 1327897366 /nfs/dbraw/zinc/89/73/66/1327897366.db2.gz ZZJJDEFCVPTPOS-HIFRSBDPSA-N 1 2 348.516 3.187 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]([N@H+](C)[C@H](C)c3nnc(C)s3)C2)C1 ZINC001027567766 1327897369 /nfs/dbraw/zinc/89/73/69/1327897369.db2.gz ZZJJDEFCVPTPOS-HIFRSBDPSA-N 1 2 348.516 3.187 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)C2CC3(CC3)C2)C1 ZINC001027570529 1327901720 /nfs/dbraw/zinc/90/17/20/1327901720.db2.gz HYCYFAGKSUMVDQ-AWEZNQCLSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)C2CC3(CC3)C2)C1 ZINC001027570529 1327901727 /nfs/dbraw/zinc/90/17/27/1327901727.db2.gz HYCYFAGKSUMVDQ-AWEZNQCLSA-N 1 2 341.293 3.008 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@H]2C)co1 ZINC000965951007 1328127042 /nfs/dbraw/zinc/12/70/42/1328127042.db2.gz AVONNXKXIAGWQV-AUUYWEPGSA-N 1 2 337.423 3.100 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)CC[C@H]2C)co1 ZINC000965951007 1328127047 /nfs/dbraw/zinc/12/70/47/1328127047.db2.gz AVONNXKXIAGWQV-AUUYWEPGSA-N 1 2 337.423 3.100 20 30 EGEDLO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1Cl)C1CCCC1 ZINC001027717892 1328131019 /nfs/dbraw/zinc/13/10/19/1328131019.db2.gz GIQKBLIHQLFUHK-GOSISDBHSA-N 1 2 344.886 3.462 20 30 EGEDLO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl)C1CCCC1 ZINC001027717892 1328131024 /nfs/dbraw/zinc/13/10/24/1328131024.db2.gz GIQKBLIHQLFUHK-GOSISDBHSA-N 1 2 344.886 3.462 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C(F)F)nc2)C1 ZINC000966566517 1328342753 /nfs/dbraw/zinc/34/27/53/1328342753.db2.gz PVNSUZOPVHFXNA-HZMBPMFUSA-N 1 2 343.805 3.212 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C(F)F)nc2)C1 ZINC000966566517 1328342756 /nfs/dbraw/zinc/34/27/56/1328342756.db2.gz PVNSUZOPVHFXNA-HZMBPMFUSA-N 1 2 343.805 3.212 20 30 EGEDLO C=CCC[C@@H](O)C[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC000931800007 1329762332 /nfs/dbraw/zinc/76/23/32/1329762332.db2.gz MAQCBJKPNYBPMM-QAPCUYQASA-N 1 2 331.847 3.338 20 30 EGEDLO C=CCC[C@@H](O)C[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC000931800007 1329762334 /nfs/dbraw/zinc/76/23/34/1329762334.db2.gz MAQCBJKPNYBPMM-QAPCUYQASA-N 1 2 331.847 3.338 20 30 EGEDLO COc1ccc(C[N@H+](CCCO)Cc2cc(F)ccc2C#N)cc1 ZINC000934506176 1329984112 /nfs/dbraw/zinc/98/41/12/1329984112.db2.gz PBDPFIJQTLNCRV-UHFFFAOYSA-N 1 2 328.387 3.091 20 30 EGEDLO COc1ccc(C[N@@H+](CCCO)Cc2cc(F)ccc2C#N)cc1 ZINC000934506176 1329984113 /nfs/dbraw/zinc/98/41/13/1329984113.db2.gz PBDPFIJQTLNCRV-UHFFFAOYSA-N 1 2 328.387 3.091 20 30 EGEDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(F)cc1C#N ZINC000867628359 1330211634 /nfs/dbraw/zinc/21/16/34/1330211634.db2.gz YQWMUHNFXOIDRU-UHFFFAOYSA-N 1 2 333.388 3.088 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2)C[C@H]1C ZINC000947006347 1332968125 /nfs/dbraw/zinc/96/81/25/1332968125.db2.gz ZUVJWQCGVZPVPY-UKRRQHHQSA-N 1 2 337.261 3.178 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2)C[C@H]1C ZINC000947006347 1332968126 /nfs/dbraw/zinc/96/81/26/1332968126.db2.gz ZUVJWQCGVZPVPY-UKRRQHHQSA-N 1 2 337.261 3.178 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)CC2CCCC2)C[C@@H]1C ZINC000947015044 1332973954 /nfs/dbraw/zinc/97/39/54/1332973954.db2.gz ZGEBOGDMMPYTAF-DZGCQCFKSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC(CCNc2cc[nH+]c(C)n2)CC1 ZINC001063334562 1351820755 /nfs/dbraw/zinc/82/07/55/1351820755.db2.gz GQFMVBJELDZIGT-LJQANCHMSA-N 1 2 330.476 3.428 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C2CC2)C[C@@H]1C ZINC000947635430 1333202697 /nfs/dbraw/zinc/20/26/97/1333202697.db2.gz VLHAMJUDXBTWIN-JSGCOSHPSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(C(C)C)no3)[C@H](C)C2)C1 ZINC000947703288 1333233530 /nfs/dbraw/zinc/23/35/30/1333233530.db2.gz XBDSQXYIIGIKSO-HUUCEWRRSA-N 1 2 346.475 3.018 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3nc(C(C)C)no3)[C@H](C)C2)C1 ZINC000947703288 1333233532 /nfs/dbraw/zinc/23/35/32/1333233532.db2.gz XBDSQXYIIGIKSO-HUUCEWRRSA-N 1 2 346.475 3.018 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccoc1CC ZINC000948913803 1333732403 /nfs/dbraw/zinc/73/24/03/1333732403.db2.gz YQVVHRCWDDCPJU-IBGZPJMESA-N 1 2 336.435 3.195 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccoc1CC ZINC000948913803 1333732406 /nfs/dbraw/zinc/73/24/06/1333732406.db2.gz YQVVHRCWDDCPJU-IBGZPJMESA-N 1 2 336.435 3.195 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc2ccsc2[nH]1 ZINC000948940196 1333741869 /nfs/dbraw/zinc/74/18/69/1333741869.db2.gz FSZGCVOXTFWQBR-GOSISDBHSA-N 1 2 349.459 3.192 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc2ccsc2[nH]1 ZINC000948940196 1333741872 /nfs/dbraw/zinc/74/18/72/1333741872.db2.gz FSZGCVOXTFWQBR-GOSISDBHSA-N 1 2 349.459 3.192 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000948940172 1333742083 /nfs/dbraw/zinc/74/20/83/1333742083.db2.gz FKPOHGIHRHTJCC-RCLSDMTESA-N 1 2 336.479 3.162 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000948940172 1333742086 /nfs/dbraw/zinc/74/20/86/1333742086.db2.gz FKPOHGIHRHTJCC-RCLSDMTESA-N 1 2 336.479 3.162 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1occc1CC ZINC000948954034 1333746399 /nfs/dbraw/zinc/74/63/99/1333746399.db2.gz IRAVTHNQIKKZJQ-LJQANCHMSA-N 1 2 336.435 3.195 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1occc1CC ZINC000948954034 1333746401 /nfs/dbraw/zinc/74/64/01/1333746401.db2.gz IRAVTHNQIKKZJQ-LJQANCHMSA-N 1 2 336.435 3.195 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000948969342 1333751047 /nfs/dbraw/zinc/75/10/47/1333751047.db2.gz GTISMPFCWTZWRT-FSSWDIPSSA-N 1 2 344.458 3.139 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000948969342 1333751050 /nfs/dbraw/zinc/75/10/50/1333751050.db2.gz GTISMPFCWTZWRT-FSSWDIPSSA-N 1 2 344.458 3.139 20 30 EGEDLO C=C1CCC(C(=O)N2CC[NH+](Cc3ccc(OC)cc3)CC2)CC1 ZINC000950019029 1333993867 /nfs/dbraw/zinc/99/38/67/1333993867.db2.gz YUMZKMCIYHHCQS-UHFFFAOYSA-N 1 2 328.456 3.086 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC000950039028 1333998575 /nfs/dbraw/zinc/99/85/75/1333998575.db2.gz MNWPDNMTHJENRT-IBGZPJMESA-N 1 2 336.426 3.254 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2csc3cc(C)ccc32)C1 ZINC000950425995 1334067458 /nfs/dbraw/zinc/06/74/58/1334067458.db2.gz RURTUDGYYIXWGX-UHFFFAOYSA-N 1 2 326.465 3.379 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CCC)C(C)C ZINC001114904621 1370139541 /nfs/dbraw/zinc/13/95/41/1370139541.db2.gz XKPFUSDEWWKBAA-KBXIAJHMSA-N 1 2 343.309 3.014 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CCC)C(C)C ZINC001114904621 1370139544 /nfs/dbraw/zinc/13/95/44/1370139544.db2.gz XKPFUSDEWWKBAA-KBXIAJHMSA-N 1 2 343.309 3.014 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2nccc3occc32)C1 ZINC000967418684 1335732762 /nfs/dbraw/zinc/73/27/62/1335732762.db2.gz BLQMUNZCVCCPQS-BXUZGUMPSA-N 1 2 333.819 3.021 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2nccc3occc32)C1 ZINC000967418684 1335732764 /nfs/dbraw/zinc/73/27/64/1335732764.db2.gz BLQMUNZCVCCPQS-BXUZGUMPSA-N 1 2 333.819 3.021 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2cc(C)ccc2C)C1 ZINC000968177985 1335866945 /nfs/dbraw/zinc/86/69/45/1335866945.db2.gz QYVDUENVDBFNDA-QAPCUYQASA-N 1 2 334.891 3.425 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2cc(C)ccc2C)C1 ZINC000968177985 1335866946 /nfs/dbraw/zinc/86/69/46/1335866946.db2.gz QYVDUENVDBFNDA-QAPCUYQASA-N 1 2 334.891 3.425 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc3ccncc32)C1 ZINC000968493157 1335941126 /nfs/dbraw/zinc/94/11/26/1335941126.db2.gz PKEGPDIDJXUNPP-SCLBCKFNSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc3ccncc32)C1 ZINC000968493157 1335941130 /nfs/dbraw/zinc/94/11/30/1335941130.db2.gz PKEGPDIDJXUNPP-SCLBCKFNSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc3sccc3[nH]2)C1 ZINC000968505815 1335945738 /nfs/dbraw/zinc/94/57/38/1335945738.db2.gz QWGQOSHLXVKSTF-HZMBPMFUSA-N 1 2 337.876 3.422 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc3sccc3[nH]2)C1 ZINC000968505815 1335945739 /nfs/dbraw/zinc/94/57/39/1335945739.db2.gz QWGQOSHLXVKSTF-HZMBPMFUSA-N 1 2 337.876 3.422 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC000968517117 1335950291 /nfs/dbraw/zinc/95/02/91/1335950291.db2.gz IISKJTRQPYGDOF-YVEFUNNKSA-N 1 2 335.879 3.086 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC000968517117 1335950292 /nfs/dbraw/zinc/95/02/92/1335950292.db2.gz IISKJTRQPYGDOF-YVEFUNNKSA-N 1 2 335.879 3.086 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(OCC)cc2)C1 ZINC000968598189 1335978001 /nfs/dbraw/zinc/97/80/01/1335978001.db2.gz BKIXEVVTQYFCOG-CXAGYDPISA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(OCC)cc2)C1 ZINC000968598189 1335978004 /nfs/dbraw/zinc/97/80/04/1335978004.db2.gz BKIXEVVTQYFCOG-CXAGYDPISA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2sc(C)cc2C)C1 ZINC000968596838 1335978180 /nfs/dbraw/zinc/97/81/80/1335978180.db2.gz NEEANMYAYWDIRB-IAQYHMDHSA-N 1 2 340.920 3.487 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2sc(C)cc2C)C1 ZINC000968596838 1335978184 /nfs/dbraw/zinc/97/81/84/1335978184.db2.gz NEEANMYAYWDIRB-IAQYHMDHSA-N 1 2 340.920 3.487 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC000968628195 1335989774 /nfs/dbraw/zinc/98/97/74/1335989774.db2.gz ULVHRVWADOZRDD-YVEFUNNKSA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC000968628195 1335989779 /nfs/dbraw/zinc/98/97/79/1335989779.db2.gz ULVHRVWADOZRDD-YVEFUNNKSA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc3oc(C)nc32)C1 ZINC000968687479 1336011951 /nfs/dbraw/zinc/01/19/51/1336011951.db2.gz BNEGSCODLLCMMI-XHDPSFHLSA-N 1 2 347.846 3.329 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc3oc(C)nc32)C1 ZINC000968687479 1336011954 /nfs/dbraw/zinc/01/19/54/1336011954.db2.gz BNEGSCODLLCMMI-XHDPSFHLSA-N 1 2 347.846 3.329 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CCC1 ZINC000968727577 1336027038 /nfs/dbraw/zinc/02/70/38/1336027038.db2.gz YVPCOEPYTIUTIZ-LJQANCHMSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCCC[C@@H]1CNC(=O)C1CCC1 ZINC000968727577 1336027042 /nfs/dbraw/zinc/02/70/42/1336027042.db2.gz YVPCOEPYTIUTIZ-LJQANCHMSA-N 1 2 343.446 3.358 20 30 EGEDLO C=CCOc1ccc(C(=O)N[C@@H](C)C2C[NH+](CC(=C)Cl)C2)cc1 ZINC000969987223 1336269140 /nfs/dbraw/zinc/26/91/40/1336269140.db2.gz GZUWZCFGYSAKCU-AWEZNQCLSA-N 1 2 334.847 3.054 20 30 EGEDLO C[C@@H](NC(=O)c1cc[nH]c1C1CC1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970338211 1336295302 /nfs/dbraw/zinc/29/53/02/1336295302.db2.gz KIHMENFCDZCWFE-CQSZACIVSA-N 1 2 348.450 3.014 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccccc2OC2CCC2)C1 ZINC000970393047 1336303211 /nfs/dbraw/zinc/30/32/11/1336303211.db2.gz HTFPULDHLFRLFD-AWEZNQCLSA-N 1 2 348.874 3.421 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(F)cc3cccnc32)C1 ZINC000970522728 1336316475 /nfs/dbraw/zinc/31/64/75/1336316475.db2.gz DNDIARRRMGJRHW-GFCCVEGCSA-N 1 2 347.821 3.177 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(OC)cc2Cl)C1 ZINC000970595797 1336325627 /nfs/dbraw/zinc/32/56/27/1336325627.db2.gz HONMHLUJSAWEMJ-LLVKDONJSA-N 1 2 343.254 3.151 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)C2(C3CC3)CC2)CC1 ZINC001005554306 1336370624 /nfs/dbraw/zinc/37/06/24/1336370624.db2.gz MFBYTNUXWYUFMW-UHFFFAOYSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C1CCC(C(=O)N(C)C2CC[NH+](Cc3nocc3C)CC2)CC1 ZINC001005936482 1336426058 /nfs/dbraw/zinc/42/60/58/1336426058.db2.gz LCTGMDAOPNPDDH-UHFFFAOYSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C1CCC(C(=O)N(C)C2CC[NH+]([C@@H](C)c3nnc(C)o3)CC2)CC1 ZINC001005937613 1336426575 /nfs/dbraw/zinc/42/65/75/1336426575.db2.gz OWKAFTXELWGHSS-AWEZNQCLSA-N 1 2 346.475 3.108 20 30 EGEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)c1ccoc1 ZINC001006734473 1336566658 /nfs/dbraw/zinc/56/66/58/1336566658.db2.gz DHBJBOYONCJKSM-GOSISDBHSA-N 1 2 342.826 3.179 20 30 EGEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)c1ccoc1 ZINC001006734473 1336566659 /nfs/dbraw/zinc/56/66/59/1336566659.db2.gz DHBJBOYONCJKSM-GOSISDBHSA-N 1 2 342.826 3.179 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)o1 ZINC001007043739 1336631451 /nfs/dbraw/zinc/63/14/51/1336631451.db2.gz KDXNZIIGFMPDHO-SFHVURJKSA-N 1 2 337.423 3.163 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)o1 ZINC001007043739 1336631453 /nfs/dbraw/zinc/63/14/53/1336631453.db2.gz KDXNZIIGFMPDHO-SFHVURJKSA-N 1 2 337.423 3.163 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2cncc3ccccc32)C1 ZINC001007527214 1336664000 /nfs/dbraw/zinc/66/40/00/1336664000.db2.gz LQWPDBBHIXKICN-KRWDZBQOSA-N 1 2 343.858 3.110 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2cncc3ccccc32)C1 ZINC001007527214 1336664004 /nfs/dbraw/zinc/66/40/04/1336664004.db2.gz LQWPDBBHIXKICN-KRWDZBQOSA-N 1 2 343.858 3.110 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)C1CCC1 ZINC001007594265 1336672697 /nfs/dbraw/zinc/67/26/97/1336672697.db2.gz HISKYISPVDGYNJ-OXQOHEQNSA-N 1 2 342.458 3.194 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)C1CCC1 ZINC001007594265 1336672698 /nfs/dbraw/zinc/67/26/98/1336672698.db2.gz HISKYISPVDGYNJ-OXQOHEQNSA-N 1 2 342.458 3.194 20 30 EGEDLO C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1)C1CCC1 ZINC001007596010 1336674171 /nfs/dbraw/zinc/67/41/71/1336674171.db2.gz MXUJPGJJIIASKH-KXBFYZLASA-N 1 2 325.456 3.075 20 30 EGEDLO C[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1)C1CCC1 ZINC001007596010 1336674174 /nfs/dbraw/zinc/67/41/74/1336674174.db2.gz MXUJPGJJIIASKH-KXBFYZLASA-N 1 2 325.456 3.075 20 30 EGEDLO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2n[nH]c3ccc(C)cc32)C1 ZINC001007777952 1336697998 /nfs/dbraw/zinc/69/79/98/1336697998.db2.gz UNLHVOZQONKBMU-HNNXBMFYSA-N 1 2 326.444 3.032 20 30 EGEDLO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2n[nH]c3ccc(C)cc32)C1 ZINC001007777952 1336697999 /nfs/dbraw/zinc/69/79/99/1336697999.db2.gz UNLHVOZQONKBMU-HNNXBMFYSA-N 1 2 326.444 3.032 20 30 EGEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2scnc2C2CCCC2)C1 ZINC001007811781 1336704944 /nfs/dbraw/zinc/70/49/44/1336704944.db2.gz PJKUDUQOMAQDKE-OAHLLOKOSA-N 1 2 331.485 3.018 20 30 EGEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2scnc2C2CCCC2)C1 ZINC001007811781 1336704947 /nfs/dbraw/zinc/70/49/47/1336704947.db2.gz PJKUDUQOMAQDKE-OAHLLOKOSA-N 1 2 331.485 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(-n3cccc3)c2)C1 ZINC001007820704 1336707775 /nfs/dbraw/zinc/70/77/75/1336707775.db2.gz CVLSIKMNLMLVKD-QGZVFWFLSA-N 1 2 343.858 3.424 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(-n3cccc3)c2)C1 ZINC001007820704 1336707783 /nfs/dbraw/zinc/70/77/83/1336707783.db2.gz CVLSIKMNLMLVKD-QGZVFWFLSA-N 1 2 343.858 3.424 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]nc2-c2ccccc2)C1 ZINC001008107191 1336771303 /nfs/dbraw/zinc/77/13/03/1336771303.db2.gz GFGXIIIDAJKBMM-OAHLLOKOSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2c[nH]nc2-c2ccccc2)C1 ZINC001008107191 1336771304 /nfs/dbraw/zinc/77/13/04/1336771304.db2.gz GFGXIIIDAJKBMM-OAHLLOKOSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001008134847 1336776938 /nfs/dbraw/zinc/77/69/38/1336776938.db2.gz CPMRMJZHXJNOKG-HNNXBMFYSA-N 1 2 331.847 3.423 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001008134847 1336776939 /nfs/dbraw/zinc/77/69/39/1336776939.db2.gz CPMRMJZHXJNOKG-HNNXBMFYSA-N 1 2 331.847 3.423 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001008247239 1336802966 /nfs/dbraw/zinc/80/29/66/1336802966.db2.gz BDGSCZUUJWVWOI-MSOLQXFVSA-N 1 2 325.456 3.075 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001008247239 1336802970 /nfs/dbraw/zinc/80/29/70/1336802970.db2.gz BDGSCZUUJWVWOI-MSOLQXFVSA-N 1 2 325.456 3.075 20 30 EGEDLO CCc1ccoc1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001008434092 1336852346 /nfs/dbraw/zinc/85/23/46/1336852346.db2.gz PWQMDWQFQKWJSZ-LJQANCHMSA-N 1 2 336.435 3.088 20 30 EGEDLO CCc1ccoc1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001008434092 1336852348 /nfs/dbraw/zinc/85/23/48/1336852348.db2.gz PWQMDWQFQKWJSZ-LJQANCHMSA-N 1 2 336.435 3.088 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(c3ccccc3F)CC2)C1 ZINC001009057631 1336961306 /nfs/dbraw/zinc/96/13/06/1336961306.db2.gz JUFURQHOVVYMCC-CQSZACIVSA-N 1 2 336.838 3.190 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(c3ccccc3F)CC2)C1 ZINC001009057631 1336961308 /nfs/dbraw/zinc/96/13/08/1336961308.db2.gz JUFURQHOVVYMCC-CQSZACIVSA-N 1 2 336.838 3.190 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cc(C)n(CC3CC3)c2C)C1 ZINC001009243321 1336989473 /nfs/dbraw/zinc/98/94/73/1336989473.db2.gz CCMLGPKJBVGKCG-QGZVFWFLSA-N 1 2 349.906 3.462 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)n(CC3CC3)c2C)C1 ZINC001009243321 1336989475 /nfs/dbraw/zinc/98/94/75/1336989475.db2.gz CCMLGPKJBVGKCG-QGZVFWFLSA-N 1 2 349.906 3.462 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cc3c(cccc3OC)[nH]2)C1 ZINC001009493925 1337030877 /nfs/dbraw/zinc/03/08/77/1337030877.db2.gz ILWBZODKDQGKTL-ZDUSSCGKSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cc3c(cccc3OC)[nH]2)C1 ZINC001009493925 1337030880 /nfs/dbraw/zinc/03/08/80/1337030880.db2.gz ILWBZODKDQGKTL-ZDUSSCGKSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C23CC(c4ccccc4)(C2)C3)C1 ZINC001009665000 1337056455 /nfs/dbraw/zinc/05/64/55/1337056455.db2.gz ZPFLZHOENXZOLY-KKXNLOMOSA-N 1 2 344.886 3.441 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C23CC(c4ccccc4)(C2)C3)C1 ZINC001009665000 1337056457 /nfs/dbraw/zinc/05/64/57/1337056457.db2.gz ZPFLZHOENXZOLY-KKXNLOMOSA-N 1 2 344.886 3.441 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc(N(C)CCC)cc2)C1 ZINC001009735279 1337067605 /nfs/dbraw/zinc/06/76/05/1337067605.db2.gz OIWSQRAYEJLYNF-KRWDZBQOSA-N 1 2 349.906 3.480 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(N(C)CCC)cc2)C1 ZINC001009735279 1337067608 /nfs/dbraw/zinc/06/76/08/1337067608.db2.gz OIWSQRAYEJLYNF-KRWDZBQOSA-N 1 2 349.906 3.480 20 30 EGEDLO C#Cc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CNc2cc[nH+]c(C)n2)cc1 ZINC001063955601 1352109331 /nfs/dbraw/zinc/10/93/31/1352109331.db2.gz FFGQIKNKOCRPOB-DNVCBOLYSA-N 1 2 348.450 3.119 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001010568194 1337224845 /nfs/dbraw/zinc/22/48/45/1337224845.db2.gz RLUFQJNSURTIMG-KRWDZBQOSA-N 1 2 327.403 3.046 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001010568194 1337224847 /nfs/dbraw/zinc/22/48/47/1337224847.db2.gz RLUFQJNSURTIMG-KRWDZBQOSA-N 1 2 327.403 3.046 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(OC)c(C(C)C)c2)C1 ZINC001015127231 1338025876 /nfs/dbraw/zinc/02/58/76/1338025876.db2.gz MVPOHMJBKVNNFU-HNNXBMFYSA-N 1 2 336.863 3.375 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(OC)c(C(C)C)c2)C1 ZINC001015127231 1338025878 /nfs/dbraw/zinc/02/58/78/1338025878.db2.gz MVPOHMJBKVNNFU-HNNXBMFYSA-N 1 2 336.863 3.375 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cc3ccccc3s2)C1 ZINC001015247222 1338071550 /nfs/dbraw/zinc/07/15/50/1338071550.db2.gz NTYNNEBFSAXXKG-AWEZNQCLSA-N 1 2 334.872 3.387 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cc3ccccc3s2)C1 ZINC001015247222 1338071552 /nfs/dbraw/zinc/07/15/52/1338071552.db2.gz NTYNNEBFSAXXKG-AWEZNQCLSA-N 1 2 334.872 3.387 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc3ccccc3s2)C1 ZINC001015247223 1338071721 /nfs/dbraw/zinc/07/17/21/1338071721.db2.gz NTYNNEBFSAXXKG-CQSZACIVSA-N 1 2 334.872 3.387 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cc3ccccc3s2)C1 ZINC001015247223 1338071725 /nfs/dbraw/zinc/07/17/25/1338071725.db2.gz NTYNNEBFSAXXKG-CQSZACIVSA-N 1 2 334.872 3.387 20 30 EGEDLO CC(C)(C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)C1CCC1 ZINC001015401139 1338127231 /nfs/dbraw/zinc/12/72/31/1338127231.db2.gz BFCNNDLMNGRSAW-IBGZPJMESA-N 1 2 342.458 3.194 20 30 EGEDLO CC(C)(C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)C1CCC1 ZINC001015401139 1338127235 /nfs/dbraw/zinc/12/72/35/1338127235.db2.gz BFCNNDLMNGRSAW-IBGZPJMESA-N 1 2 342.458 3.194 20 30 EGEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1coc(C(F)F)c1 ZINC001015616444 1338208509 /nfs/dbraw/zinc/20/85/09/1338208509.db2.gz OKAAYBZIGBVOSU-MRXNPFEDSA-N 1 2 344.361 3.073 20 30 EGEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1coc(C(F)F)c1 ZINC001015616444 1338208511 /nfs/dbraw/zinc/20/85/11/1338208511.db2.gz OKAAYBZIGBVOSU-MRXNPFEDSA-N 1 2 344.361 3.073 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001015700825 1338267618 /nfs/dbraw/zinc/26/76/18/1338267618.db2.gz BMLHFTMWTYPKHO-GOSISDBHSA-N 1 2 348.450 3.158 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001015700825 1338267619 /nfs/dbraw/zinc/26/76/19/1338267619.db2.gz BMLHFTMWTYPKHO-GOSISDBHSA-N 1 2 348.450 3.158 20 30 EGEDLO C=Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)cc1 ZINC001015738185 1338279132 /nfs/dbraw/zinc/27/91/32/1338279132.db2.gz BFCFFDNIIQXGSJ-LJQANCHMSA-N 1 2 349.409 3.345 20 30 EGEDLO C=Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)cc1 ZINC001015738185 1338279136 /nfs/dbraw/zinc/27/91/36/1338279136.db2.gz BFCFFDNIIQXGSJ-LJQANCHMSA-N 1 2 349.409 3.345 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001015761030 1338294856 /nfs/dbraw/zinc/29/48/56/1338294856.db2.gz CKNCPXLONFLGQX-LJQANCHMSA-N 1 2 344.418 3.044 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001015761030 1338294860 /nfs/dbraw/zinc/29/48/60/1338294860.db2.gz CKNCPXLONFLGQX-LJQANCHMSA-N 1 2 344.418 3.044 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn(C(CC)CC)c2C)C1 ZINC001015968829 1338384245 /nfs/dbraw/zinc/38/42/45/1338384245.db2.gz IAMPNDUHYVOSKU-AWEZNQCLSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C(CC)CC)c2C)C1 ZINC001015968829 1338384248 /nfs/dbraw/zinc/38/42/48/1338384248.db2.gz IAMPNDUHYVOSKU-AWEZNQCLSA-N 1 2 338.883 3.109 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1)C1CCCC1 ZINC001015973624 1338386186 /nfs/dbraw/zinc/38/61/86/1338386186.db2.gz PNUUXKZAAJWOCU-KBXCAEBGSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1)C1CCCC1 ZINC001015973624 1338386189 /nfs/dbraw/zinc/38/61/89/1338386189.db2.gz PNUUXKZAAJWOCU-KBXCAEBGSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(N(CC)CC)cc2)C1 ZINC001016087453 1338454287 /nfs/dbraw/zinc/45/42/87/1338454287.db2.gz HJYVJJARMFPVOM-MRXNPFEDSA-N 1 2 335.879 3.089 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(N(CC)CC)cc2)C1 ZINC001016087453 1338454289 /nfs/dbraw/zinc/45/42/89/1338454289.db2.gz HJYVJJARMFPVOM-MRXNPFEDSA-N 1 2 335.879 3.089 20 30 EGEDLO Cc1ccc(C)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001016096007 1338459582 /nfs/dbraw/zinc/45/95/82/1338459582.db2.gz JCDIEUXNCNNVQK-IBGZPJMESA-N 1 2 333.435 3.179 20 30 EGEDLO Cc1ccc(C)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001016096007 1338459585 /nfs/dbraw/zinc/45/95/85/1338459585.db2.gz JCDIEUXNCNNVQK-IBGZPJMESA-N 1 2 333.435 3.179 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)sc1C ZINC001016209533 1338509730 /nfs/dbraw/zinc/50/97/30/1338509730.db2.gz CBDBZQREOPFKMY-ZDUSSCGKSA-N 1 2 345.493 3.302 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)sc1C ZINC001016209533 1338509732 /nfs/dbraw/zinc/50/97/32/1338509732.db2.gz CBDBZQREOPFKMY-ZDUSSCGKSA-N 1 2 345.493 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc3c(c2)CCCC3)C1 ZINC001016225538 1338516815 /nfs/dbraw/zinc/51/68/15/1338516815.db2.gz JRPLUOMRRMBKJY-GOSISDBHSA-N 1 2 332.875 3.051 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc3c(c2)CCCC3)C1 ZINC001016225538 1338516819 /nfs/dbraw/zinc/51/68/19/1338516819.db2.gz JRPLUOMRRMBKJY-GOSISDBHSA-N 1 2 332.875 3.051 20 30 EGEDLO CCc1ccsc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001016327131 1338551327 /nfs/dbraw/zinc/55/13/27/1338551327.db2.gz IMXIUBGXMMUDBK-QGZVFWFLSA-N 1 2 339.464 3.186 20 30 EGEDLO CCc1ccsc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001016327131 1338551328 /nfs/dbraw/zinc/55/13/28/1338551328.db2.gz IMXIUBGXMMUDBK-QGZVFWFLSA-N 1 2 339.464 3.186 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC(c3ccc(F)cc3)C2)C1 ZINC001016414885 1338595634 /nfs/dbraw/zinc/59/56/34/1338595634.db2.gz PKWMQQBOOCQYCQ-DQPZFDDXSA-N 1 2 336.838 3.262 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC(c3ccc(F)cc3)C2)C1 ZINC001016414885 1338595638 /nfs/dbraw/zinc/59/56/38/1338595638.db2.gz PKWMQQBOOCQYCQ-DQPZFDDXSA-N 1 2 336.838 3.262 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H](C[N@@H+](C)[C@@H](C)c3csnn3)C2)C1 ZINC001017207921 1338953750 /nfs/dbraw/zinc/95/37/50/1338953750.db2.gz PSNDBPXDOAVXAC-GJZGRUSLSA-N 1 2 348.516 3.126 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H](C[N@H+](C)[C@@H](C)c3csnn3)C2)C1 ZINC001017207921 1338953754 /nfs/dbraw/zinc/95/37/54/1338953754.db2.gz PSNDBPXDOAVXAC-GJZGRUSLSA-N 1 2 348.516 3.126 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CC)CCC(F)(F)CC1 ZINC001017668375 1339387772 /nfs/dbraw/zinc/38/77/72/1339387772.db2.gz PYLQEEQRMLFHGE-IYBDPMFKSA-N 1 2 338.442 3.291 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CC)CCC(F)(F)CC1 ZINC001017668375 1339387777 /nfs/dbraw/zinc/38/77/77/1339387777.db2.gz PYLQEEQRMLFHGE-IYBDPMFKSA-N 1 2 338.442 3.291 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1ccc(Cl)s1 ZINC001018159956 1339518608 /nfs/dbraw/zinc/51/86/08/1339518608.db2.gz UUQDEZZWNGXDGN-MCIONIFRSA-N 1 2 336.888 3.204 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1ccc(Cl)s1 ZINC001018159956 1339518614 /nfs/dbraw/zinc/51/86/14/1339518614.db2.gz UUQDEZZWNGXDGN-MCIONIFRSA-N 1 2 336.888 3.204 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001018288573 1339563931 /nfs/dbraw/zinc/56/39/31/1339563931.db2.gz JOZXBVFUXDLMLF-JCGIZDLHSA-N 1 2 330.859 3.142 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001018288573 1339563933 /nfs/dbraw/zinc/56/39/33/1339563933.db2.gz JOZXBVFUXDLMLF-JCGIZDLHSA-N 1 2 330.859 3.142 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@H+]2[C@H](C)c2ncc(C)o2)CC1 ZINC001028117678 1340438387 /nfs/dbraw/zinc/43/83/87/1340438387.db2.gz RQTHUAHVROJBRT-WBVHZDCISA-N 1 2 331.460 3.371 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H](C)c2ncc(C)o2)CC1 ZINC001028117678 1340438389 /nfs/dbraw/zinc/43/83/89/1340438389.db2.gz RQTHUAHVROJBRT-WBVHZDCISA-N 1 2 331.460 3.371 20 30 EGEDLO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1)c1ccc(F)s1 ZINC001028346866 1340586192 /nfs/dbraw/zinc/58/61/92/1340586192.db2.gz IYTQBFCJQNXCSU-MRXNPFEDSA-N 1 2 342.439 3.133 20 30 EGEDLO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1)c1ccc(F)s1 ZINC001028346866 1340586195 /nfs/dbraw/zinc/58/61/95/1340586195.db2.gz IYTQBFCJQNXCSU-MRXNPFEDSA-N 1 2 342.439 3.133 20 30 EGEDLO O=C(c1ccc(F)cc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029190715 1340951505 /nfs/dbraw/zinc/95/15/05/1340951505.db2.gz XTZHGFGDPWMVIZ-OYRHEFFESA-N 1 2 348.421 3.166 20 30 EGEDLO O=C(c1ccc(F)cc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029190715 1340951506 /nfs/dbraw/zinc/95/15/06/1340951506.db2.gz XTZHGFGDPWMVIZ-OYRHEFFESA-N 1 2 348.421 3.166 20 30 EGEDLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccc(F)cc2)CCC1 ZINC001029425304 1340987361 /nfs/dbraw/zinc/98/73/61/1340987361.db2.gz YMSNPQFRLWDLGI-KDURUIRLSA-N 1 2 340.442 3.043 20 30 EGEDLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccc(F)cc2)CCC1 ZINC001029425304 1340987363 /nfs/dbraw/zinc/98/73/63/1340987363.db2.gz YMSNPQFRLWDLGI-KDURUIRLSA-N 1 2 340.442 3.043 20 30 EGEDLO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N)c1ccco1 ZINC001029469854 1340997725 /nfs/dbraw/zinc/99/77/25/1340997725.db2.gz WNZRVCZUZUZJHA-LZQZEXGQSA-N 1 2 349.434 3.130 20 30 EGEDLO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N)c1ccco1 ZINC001029469854 1340997727 /nfs/dbraw/zinc/99/77/27/1340997727.db2.gz WNZRVCZUZUZJHA-LZQZEXGQSA-N 1 2 349.434 3.130 20 30 EGEDLO CC(C)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001029534643 1341006682 /nfs/dbraw/zinc/00/66/82/1341006682.db2.gz ODJLZXDVZLYGTF-YRPNKDGESA-N 1 2 337.467 3.026 20 30 EGEDLO CC(C)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001029534643 1341006683 /nfs/dbraw/zinc/00/66/83/1341006683.db2.gz ODJLZXDVZLYGTF-YRPNKDGESA-N 1 2 337.467 3.026 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H](C[N@@H+](C)Cc2csc(Cl)n2)C1 ZINC001029800958 1341077170 /nfs/dbraw/zinc/07/71/70/1341077170.db2.gz CZAWKQUWKJDHRO-GFCCVEGCSA-N 1 2 341.908 3.289 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H](C[N@H+](C)Cc2csc(Cl)n2)C1 ZINC001029800958 1341077171 /nfs/dbraw/zinc/07/71/71/1341077171.db2.gz CZAWKQUWKJDHRO-GFCCVEGCSA-N 1 2 341.908 3.289 20 30 EGEDLO C=CCn1cccc1C(=O)NC1C[NH+]([C@H](C)c2ccc3c(c2)CCC3)C1 ZINC001030447748 1341188511 /nfs/dbraw/zinc/18/85/11/1341188511.db2.gz KBRIDKXQNSRBES-MRXNPFEDSA-N 1 2 349.478 3.338 20 30 EGEDLO C#Cc1ccc(C(=O)NC2C[NH+](Cc3ccc(C4CC4)cc3)C2)cc1 ZINC001030776222 1341223658 /nfs/dbraw/zinc/22/36/58/1341223658.db2.gz AHNCIDIDONHQKB-UHFFFAOYSA-N 1 2 330.431 3.160 20 30 EGEDLO Cc1cc(C)c(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)s1 ZINC001031700136 1341390436 /nfs/dbraw/zinc/39/04/36/1341390436.db2.gz LAGZETSKIDEYFN-UHFFFAOYSA-N 1 2 345.493 3.160 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC001032141174 1341461422 /nfs/dbraw/zinc/46/14/22/1341461422.db2.gz HKOVLMKZGHYVLX-CZIWCDLHSA-N 1 2 343.446 3.072 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)CC1 ZINC001032140887 1341461521 /nfs/dbraw/zinc/46/15/21/1341461521.db2.gz BUVZNTQUWDEHQL-CZIWCDLHSA-N 1 2 343.446 3.072 20 30 EGEDLO Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)s1 ZINC001032254134 1341481770 /nfs/dbraw/zinc/48/17/70/1341481770.db2.gz YHDIXEPVHVJWIT-IRXDYDNUSA-N 1 2 337.448 3.027 20 30 EGEDLO Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)s1 ZINC001032254134 1341481771 /nfs/dbraw/zinc/48/17/71/1341481771.db2.gz YHDIXEPVHVJWIT-IRXDYDNUSA-N 1 2 337.448 3.027 20 30 EGEDLO O=C(CC1=CCCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032316172 1341494346 /nfs/dbraw/zinc/49/43/46/1341494346.db2.gz JOHHPMVNFZLRHB-SFTDATJTSA-N 1 2 334.463 3.214 20 30 EGEDLO O=C(CC1=CCCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032316172 1341494347 /nfs/dbraw/zinc/49/43/47/1341494347.db2.gz JOHHPMVNFZLRHB-SFTDATJTSA-N 1 2 334.463 3.214 20 30 EGEDLO Cc1oc(C)c(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)c1C ZINC001032508011 1341526625 /nfs/dbraw/zinc/52/66/25/1341526625.db2.gz RMGSBSCDIBRICH-OALUTQOASA-N 1 2 349.434 3.175 20 30 EGEDLO Cc1oc(C)c(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)c1C ZINC001032508011 1341526627 /nfs/dbraw/zinc/52/66/27/1341526627.db2.gz RMGSBSCDIBRICH-OALUTQOASA-N 1 2 349.434 3.175 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c(C)nsc1C ZINC001032605962 1341555980 /nfs/dbraw/zinc/55/59/80/1341555980.db2.gz LIEZSTCBALFBPL-MPGHIAIKSA-N 1 2 333.501 3.147 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1c(C)nsc1C ZINC001032605962 1341555982 /nfs/dbraw/zinc/55/59/82/1341555982.db2.gz LIEZSTCBALFBPL-MPGHIAIKSA-N 1 2 333.501 3.147 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1oc(CCC)nc1C ZINC001032605992 1341556008 /nfs/dbraw/zinc/55/60/08/1341556008.db2.gz LUWLWYVHJHOCNW-TWOQFEAHSA-N 1 2 345.487 3.323 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1oc(CCC)nc1C ZINC001032605992 1341556009 /nfs/dbraw/zinc/55/60/09/1341556009.db2.gz LUWLWYVHJHOCNW-TWOQFEAHSA-N 1 2 345.487 3.323 20 30 EGEDLO Cc1ccc([C@H](C)C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)o1 ZINC001032670057 1341576695 /nfs/dbraw/zinc/57/66/95/1341576695.db2.gz KCLMSRGJQFKUFI-SNRMKQJTSA-N 1 2 349.434 3.049 20 30 EGEDLO Cc1ccc([C@H](C)C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)o1 ZINC001032670057 1341576696 /nfs/dbraw/zinc/57/66/96/1341576696.db2.gz KCLMSRGJQFKUFI-SNRMKQJTSA-N 1 2 349.434 3.049 20 30 EGEDLO Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)s1 ZINC001032884249 1341650648 /nfs/dbraw/zinc/65/06/48/1341650648.db2.gz LZOSEBWMROJHGW-KRWDZBQOSA-N 1 2 339.464 3.275 20 30 EGEDLO Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)s1 ZINC001032884249 1341650651 /nfs/dbraw/zinc/65/06/51/1341650651.db2.gz LZOSEBWMROJHGW-KRWDZBQOSA-N 1 2 339.464 3.275 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)CC2=CCCCC2)C1 ZINC001032963546 1341678613 /nfs/dbraw/zinc/67/86/13/1341678613.db2.gz LWKXLLHNCDSQBQ-HNNXBMFYSA-N 1 2 341.293 3.318 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)CC2=CCCCC2)C1 ZINC001032963546 1341678614 /nfs/dbraw/zinc/67/86/14/1341678614.db2.gz LWKXLLHNCDSQBQ-HNNXBMFYSA-N 1 2 341.293 3.318 20 30 EGEDLO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)oc1C ZINC001033002851 1341692837 /nfs/dbraw/zinc/69/28/37/1341692837.db2.gz XLFRRQIQHRSGTO-SFHVURJKSA-N 1 2 337.423 3.115 20 30 EGEDLO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)oc1C ZINC001033002851 1341692838 /nfs/dbraw/zinc/69/28/38/1341692838.db2.gz XLFRRQIQHRSGTO-SFHVURJKSA-N 1 2 337.423 3.115 20 30 EGEDLO Cc1sccc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033061096 1341711711 /nfs/dbraw/zinc/71/17/11/1341711711.db2.gz FEGYWIUWTYTKMB-QGZVFWFLSA-N 1 2 339.464 3.275 20 30 EGEDLO Cc1sccc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033061096 1341711712 /nfs/dbraw/zinc/71/17/12/1341711712.db2.gz FEGYWIUWTYTKMB-QGZVFWFLSA-N 1 2 339.464 3.275 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2coc3c2cccc3OC)C1 ZINC001033084469 1341719215 /nfs/dbraw/zinc/71/92/15/1341719215.db2.gz CQJSGNCCGHFUGE-ZDUSSCGKSA-N 1 2 348.830 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2coc3c2cccc3OC)C1 ZINC001033084469 1341719216 /nfs/dbraw/zinc/71/92/16/1341719216.db2.gz CQJSGNCCGHFUGE-ZDUSSCGKSA-N 1 2 348.830 3.340 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC23CC3)C1 ZINC001033194859 1341749630 /nfs/dbraw/zinc/74/96/30/1341749630.db2.gz DINSTAWTHOLMIC-KGLIPLIRSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC23CC3)C1 ZINC001033194859 1341749631 /nfs/dbraw/zinc/74/96/31/1341749631.db2.gz DINSTAWTHOLMIC-KGLIPLIRSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC=CCC2)C1 ZINC001033327065 1341782301 /nfs/dbraw/zinc/78/23/01/1341782301.db2.gz BTWAZRBUKGEJTM-CABCVRRESA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC=CCC2)C1 ZINC001033327065 1341782303 /nfs/dbraw/zinc/78/23/03/1341782303.db2.gz BTWAZRBUKGEJTM-CABCVRRESA-N 1 2 341.293 3.174 20 30 EGEDLO CN(C(=O)[C@@]1(C)C=CCC1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033329558 1341782891 /nfs/dbraw/zinc/78/28/91/1341782891.db2.gz AZAZPZJAGASKHK-QUCCMNQESA-N 1 2 341.430 3.086 20 30 EGEDLO CN(C(=O)[C@@]1(C)C=CCC1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033329558 1341782895 /nfs/dbraw/zinc/78/28/95/1341782895.db2.gz AZAZPZJAGASKHK-QUCCMNQESA-N 1 2 341.430 3.086 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)cc2OC)C1 ZINC001033371884 1341799931 /nfs/dbraw/zinc/79/99/31/1341799931.db2.gz BWEPSTDBDOPJQH-CYBMUJFWSA-N 1 2 343.254 3.247 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)cc2OC)C1 ZINC001033371884 1341799932 /nfs/dbraw/zinc/79/99/32/1341799932.db2.gz BWEPSTDBDOPJQH-CYBMUJFWSA-N 1 2 343.254 3.247 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@H]2CC[N@@H+]([C@@H](C)c3ncc(C)o3)C2)CC1 ZINC001033389321 1341808314 /nfs/dbraw/zinc/80/83/14/1341808314.db2.gz MZBQLYNAVQFYHO-RDJZCZTQSA-N 1 2 331.460 3.323 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@H]2CC[N@H+]([C@@H](C)c3ncc(C)o3)C2)CC1 ZINC001033389321 1341808315 /nfs/dbraw/zinc/80/83/15/1341808315.db2.gz MZBQLYNAVQFYHO-RDJZCZTQSA-N 1 2 331.460 3.323 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(F)cc3F)C2)C1 ZINC001033394842 1341811471 /nfs/dbraw/zinc/81/14/71/1341811471.db2.gz AHCUKXIKQHXOGP-INIZCTEOSA-N 1 2 334.410 3.354 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(F)cc3F)C2)C1 ZINC001033394842 1341811474 /nfs/dbraw/zinc/81/14/74/1341811474.db2.gz AHCUKXIKQHXOGP-INIZCTEOSA-N 1 2 334.410 3.354 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001033503545 1341849573 /nfs/dbraw/zinc/84/95/73/1341849573.db2.gz VYDACHOMCASIOG-FGTMMUONSA-N 1 2 332.875 3.384 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001033503545 1341849576 /nfs/dbraw/zinc/84/95/76/1341849576.db2.gz VYDACHOMCASIOG-FGTMMUONSA-N 1 2 332.875 3.384 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc3c2ccn3C)C1 ZINC001033514355 1341853834 /nfs/dbraw/zinc/85/38/34/1341853834.db2.gz XFPYKEPCRXMDLV-AWEZNQCLSA-N 1 2 331.847 3.077 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3c2ccn3C)C1 ZINC001033514355 1341853836 /nfs/dbraw/zinc/85/38/36/1341853836.db2.gz XFPYKEPCRXMDLV-AWEZNQCLSA-N 1 2 331.847 3.077 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@]2(C)CCOc3ccccc32)C1 ZINC001033593294 1341888428 /nfs/dbraw/zinc/88/84/28/1341888428.db2.gz KMCCMHGWEIJQLT-HNAYVOBHSA-N 1 2 348.874 3.012 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(C)CCOc3ccccc32)C1 ZINC001033593294 1341888429 /nfs/dbraw/zinc/88/84/29/1341888429.db2.gz KMCCMHGWEIJQLT-HNAYVOBHSA-N 1 2 348.874 3.012 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2c(F)cccc2Cl)C1 ZINC001033611144 1341901476 /nfs/dbraw/zinc/90/14/76/1341901476.db2.gz LMOAKHMVNGCKLT-GFCCVEGCSA-N 1 2 345.245 3.307 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c(F)cccc2Cl)C1 ZINC001033611144 1341901478 /nfs/dbraw/zinc/90/14/78/1341901478.db2.gz LMOAKHMVNGCKLT-GFCCVEGCSA-N 1 2 345.245 3.307 20 30 EGEDLO C=CCOc1ccc(CC(=O)N(C)[C@H]2CC[N@H+](CC(=C)Cl)C2)cc1 ZINC001033693264 1341957351 /nfs/dbraw/zinc/95/73/51/1341957351.db2.gz RDGAKNGZTODPST-KRWDZBQOSA-N 1 2 348.874 3.079 20 30 EGEDLO C=CCOc1ccc(CC(=O)N(C)[C@H]2CC[N@@H+](CC(=C)Cl)C2)cc1 ZINC001033693264 1341957357 /nfs/dbraw/zinc/95/73/57/1341957357.db2.gz RDGAKNGZTODPST-KRWDZBQOSA-N 1 2 348.874 3.079 20 30 EGEDLO CCN(C(=O)[C@H]1CC1(C)C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033800646 1342017642 /nfs/dbraw/zinc/01/76/42/1342017642.db2.gz XJTPTVBRACZJBQ-QZTJIDSGSA-N 1 2 343.446 3.166 20 30 EGEDLO CCN(C(=O)[C@H]1CC1(C)C)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033800646 1342017643 /nfs/dbraw/zinc/01/76/43/1342017643.db2.gz XJTPTVBRACZJBQ-QZTJIDSGSA-N 1 2 343.446 3.166 20 30 EGEDLO CCN(C(=O)[C@@H]1CC1(C)C)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033800647 1342017772 /nfs/dbraw/zinc/01/77/72/1342017772.db2.gz XJTPTVBRACZJBQ-ROUUACIJSA-N 1 2 343.446 3.166 20 30 EGEDLO CCN(C(=O)[C@@H]1CC1(C)C)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033800647 1342017775 /nfs/dbraw/zinc/01/77/75/1342017775.db2.gz XJTPTVBRACZJBQ-ROUUACIJSA-N 1 2 343.446 3.166 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](Cc3ncc(CC)o3)C2)CC1 ZINC001033945547 1342106608 /nfs/dbraw/zinc/10/66/08/1342106608.db2.gz NOXGEQWDTUBGMD-QGZVFWFLSA-N 1 2 345.487 3.406 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](Cc3ncc(CC)o3)C2)CC1 ZINC001033945547 1342106609 /nfs/dbraw/zinc/10/66/09/1342106609.db2.gz NOXGEQWDTUBGMD-QGZVFWFLSA-N 1 2 345.487 3.406 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c(c2)COC3)C1 ZINC001033985994 1342130988 /nfs/dbraw/zinc/13/09/88/1342130988.db2.gz KZRDXHVZZOTUHH-QGZVFWFLSA-N 1 2 334.847 3.006 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c(c2)COC3)C1 ZINC001033985994 1342130992 /nfs/dbraw/zinc/13/09/92/1342130992.db2.gz KZRDXHVZZOTUHH-QGZVFWFLSA-N 1 2 334.847 3.006 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001034202071 1342312880 /nfs/dbraw/zinc/31/28/80/1342312880.db2.gz QIZUNMWJSXTRFI-AWEZNQCLSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001034202071 1342312882 /nfs/dbraw/zinc/31/28/82/1342312882.db2.gz QIZUNMWJSXTRFI-AWEZNQCLSA-N 1 2 343.309 3.302 20 30 EGEDLO CC1(C(=O)N[C@H]2CCCC[N@H+](CC#Cc3ccccc3Cl)C2)CC1 ZINC001034220537 1342326065 /nfs/dbraw/zinc/32/60/65/1342326065.db2.gz AUZRYQBFNZSXKN-KRWDZBQOSA-N 1 2 344.886 3.462 20 30 EGEDLO CC1(C(=O)N[C@H]2CCCC[N@@H+](CC#Cc3ccccc3Cl)C2)CC1 ZINC001034220537 1342326066 /nfs/dbraw/zinc/32/60/66/1342326066.db2.gz AUZRYQBFNZSXKN-KRWDZBQOSA-N 1 2 344.886 3.462 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cc(F)ccc2OC)C1 ZINC001034338921 1342412584 /nfs/dbraw/zinc/41/25/84/1342412584.db2.gz RGKHJWBTQVWPAS-AWEZNQCLSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cc(F)ccc2OC)C1 ZINC001034338921 1342412587 /nfs/dbraw/zinc/41/25/87/1342412587.db2.gz RGKHJWBTQVWPAS-AWEZNQCLSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001034350770 1342420193 /nfs/dbraw/zinc/42/01/93/1342420193.db2.gz KHPPZPDRZIHYQA-KBPBESRZSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001034350770 1342420195 /nfs/dbraw/zinc/42/01/95/1342420195.db2.gz KHPPZPDRZIHYQA-KBPBESRZSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001034351846 1342421888 /nfs/dbraw/zinc/42/18/88/1342421888.db2.gz UNCVPAGZRXLIEQ-ZBFHGGJFSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001034351846 1342421891 /nfs/dbraw/zinc/42/18/91/1342421891.db2.gz UNCVPAGZRXLIEQ-ZBFHGGJFSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2sccc2OC)C1 ZINC001034499469 1342556684 /nfs/dbraw/zinc/55/66/84/1342556684.db2.gz SMNWLUUOCUJJBS-GFCCVEGCSA-N 1 2 328.865 3.094 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2sccc2OC)C1 ZINC001034499469 1342556686 /nfs/dbraw/zinc/55/66/86/1342556686.db2.gz SMNWLUUOCUJJBS-GFCCVEGCSA-N 1 2 328.865 3.094 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC001034532925 1342587957 /nfs/dbraw/zinc/58/79/57/1342587957.db2.gz RAYSFGMDLDAHFX-CYBMUJFWSA-N 1 2 327.881 3.097 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC001034532925 1342587959 /nfs/dbraw/zinc/58/79/59/1342587959.db2.gz RAYSFGMDLDAHFX-CYBMUJFWSA-N 1 2 327.881 3.097 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(Cl)c3occc32)C1 ZINC001035572857 1343093440 /nfs/dbraw/zinc/09/34/40/1343093440.db2.gz GRJKKNHKJVALTM-CYBMUJFWSA-N 1 2 348.830 3.093 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(Cl)c3occc32)C1 ZINC001035572857 1343093443 /nfs/dbraw/zinc/09/34/43/1343093443.db2.gz GRJKKNHKJVALTM-CYBMUJFWSA-N 1 2 348.830 3.093 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cccc(Cl)c2Cl)C1 ZINC001035583980 1343094219 /nfs/dbraw/zinc/09/42/19/1343094219.db2.gz OFBDHTNOFJWHHE-GFCCVEGCSA-N 1 2 343.254 3.000 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cccc(Cl)c2Cl)C1 ZINC001035583980 1343094224 /nfs/dbraw/zinc/09/42/24/1343094224.db2.gz OFBDHTNOFJWHHE-GFCCVEGCSA-N 1 2 343.254 3.000 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc3c(cccc3F)s2)C1 ZINC001035597364 1343096612 /nfs/dbraw/zinc/09/66/12/1343096612.db2.gz KRWAWUJETLNFCV-CYBMUJFWSA-N 1 2 348.443 3.047 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc3c(cccc3F)s2)C1 ZINC001035597364 1343096615 /nfs/dbraw/zinc/09/66/15/1343096615.db2.gz KRWAWUJETLNFCV-CYBMUJFWSA-N 1 2 348.443 3.047 20 30 EGEDLO C[C@H](C#N)C(=O)N1CCC2(C[NH+]([C@H](C)c3c(F)cccc3F)C2)CC1 ZINC001035669625 1343130124 /nfs/dbraw/zinc/13/01/24/1343130124.db2.gz UDEKJJPHKXGSAB-ZIAGYGMSSA-N 1 2 347.409 3.110 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C1(C(F)F)CCC1)CC2 ZINC001035775076 1343186450 /nfs/dbraw/zinc/18/64/50/1343186450.db2.gz UOJXIGYUBIEEKF-UHFFFAOYSA-N 1 2 332.822 3.099 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1C1CCCC1)CC2 ZINC001035825799 1343215820 /nfs/dbraw/zinc/21/58/20/1343215820.db2.gz AYZZPNGIBPKGRE-DLBZAZTESA-N 1 2 336.907 3.490 20 30 EGEDLO C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038164534 1344306837 /nfs/dbraw/zinc/30/68/37/1344306837.db2.gz UQIBVDYMOPMFJV-GXTWGEPZSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038164534 1344306839 /nfs/dbraw/zinc/30/68/39/1344306839.db2.gz UQIBVDYMOPMFJV-GXTWGEPZSA-N 1 2 342.830 3.105 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(Cl)cc1 ZINC001038346648 1344390851 /nfs/dbraw/zinc/39/08/51/1344390851.db2.gz YYSHDSPNJUBXRA-KRWDZBQOSA-N 1 2 343.858 3.332 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001038346648 1344390857 /nfs/dbraw/zinc/39/08/57/1344390857.db2.gz YYSHDSPNJUBXRA-KRWDZBQOSA-N 1 2 343.858 3.332 20 30 EGEDLO CC(C)c1ccoc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001038628297 1344511359 /nfs/dbraw/zinc/51/13/59/1344511359.db2.gz OUTZROXXWZJKJG-KRWDZBQOSA-N 1 2 337.423 3.279 20 30 EGEDLO CC(C)c1ccoc1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001038628297 1344511365 /nfs/dbraw/zinc/51/13/65/1344511365.db2.gz OUTZROXXWZJKJG-KRWDZBQOSA-N 1 2 337.423 3.279 20 30 EGEDLO Cc1cccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)c1C ZINC001038980507 1344694718 /nfs/dbraw/zinc/69/47/18/1344694718.db2.gz YFQSHMVLLAWZOX-OAHLLOKOSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1cccc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)c1C ZINC001038980507 1344694720 /nfs/dbraw/zinc/69/47/20/1344694720.db2.gz YFQSHMVLLAWZOX-OAHLLOKOSA-N 1 2 339.464 3.241 20 30 EGEDLO CC1(C)CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001039059720 1344741947 /nfs/dbraw/zinc/74/19/47/1344741947.db2.gz HIBLUFPKEAJPMZ-WOJBJXKFSA-N 1 2 338.495 3.445 20 30 EGEDLO CC1(C)CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001039059720 1344741950 /nfs/dbraw/zinc/74/19/50/1344741950.db2.gz HIBLUFPKEAJPMZ-WOJBJXKFSA-N 1 2 338.495 3.445 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC(F)(F)C1 ZINC001039382944 1345036982 /nfs/dbraw/zinc/03/69/82/1345036982.db2.gz ZRKNWTSZBBJOBM-MJBXVCDLSA-N 1 2 332.822 3.240 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC(F)(F)C1 ZINC001039382944 1345036986 /nfs/dbraw/zinc/03/69/86/1345036986.db2.gz ZRKNWTSZBBJOBM-MJBXVCDLSA-N 1 2 332.822 3.240 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C(F)(F)F)CC1 ZINC001039442175 1345068279 /nfs/dbraw/zinc/06/82/79/1345068279.db2.gz RBVXWJCJOFCSGQ-NEPJUHHUSA-N 1 2 336.785 3.147 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C(F)(F)F)CC1 ZINC001039442175 1345068281 /nfs/dbraw/zinc/06/82/81/1345068281.db2.gz RBVXWJCJOFCSGQ-NEPJUHHUSA-N 1 2 336.785 3.147 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OC)c1ccccc1 ZINC001039461587 1345080160 /nfs/dbraw/zinc/08/01/60/1345080160.db2.gz ZDRMKIHRLUIGFS-FGTMMUONSA-N 1 2 348.874 3.192 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OC)c1ccccc1 ZINC001039461587 1345080164 /nfs/dbraw/zinc/08/01/64/1345080164.db2.gz ZDRMKIHRLUIGFS-FGTMMUONSA-N 1 2 348.874 3.192 20 30 EGEDLO C[C@H](c1cccc(F)c1)[N@H+]1[C@@H]2CCC[C@H]1CN(C(=O)[C@@H](C)C#N)C2 ZINC001039528498 1345131520 /nfs/dbraw/zinc/13/15/20/1345131520.db2.gz OALHGDXYKPKAMG-IHETXDGRSA-N 1 2 329.419 3.112 20 30 EGEDLO C[C@H](c1cccc(F)c1)[N@@H+]1[C@@H]2CCC[C@H]1CN(C(=O)[C@@H](C)C#N)C2 ZINC001039528498 1345131523 /nfs/dbraw/zinc/13/15/23/1345131523.db2.gz OALHGDXYKPKAMG-IHETXDGRSA-N 1 2 329.419 3.112 20 30 EGEDLO C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001040216793 1345379098 /nfs/dbraw/zinc/37/90/98/1345379098.db2.gz QBAGDPLJLMIIAR-DZGCQCFKSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001040216793 1345379101 /nfs/dbraw/zinc/37/91/01/1345379101.db2.gz QBAGDPLJLMIIAR-DZGCQCFKSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001040216793 1345379104 /nfs/dbraw/zinc/37/91/04/1345379104.db2.gz QBAGDPLJLMIIAR-DZGCQCFKSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001040216793 1345379106 /nfs/dbraw/zinc/37/91/06/1345379106.db2.gz QBAGDPLJLMIIAR-DZGCQCFKSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3conc3C(C)C)C[C@H]21 ZINC001042090078 1345940933 /nfs/dbraw/zinc/94/09/33/1345940933.db2.gz IMXBVUYASLJHOJ-DZGCQCFKSA-N 1 2 337.851 3.087 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3conc3C(C)C)C[C@H]21 ZINC001042090078 1345940935 /nfs/dbraw/zinc/94/09/35/1345940935.db2.gz IMXBVUYASLJHOJ-DZGCQCFKSA-N 1 2 337.851 3.087 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3oc(C4CC4)nc3C)C[C@@H]21 ZINC001042265749 1346011655 /nfs/dbraw/zinc/01/16/55/1346011655.db2.gz IYCCUBXBIUZKFG-ZFWWWQNUSA-N 1 2 349.862 3.149 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3oc(C4CC4)nc3C)C[C@@H]21 ZINC001042265749 1346011658 /nfs/dbraw/zinc/01/16/58/1346011658.db2.gz IYCCUBXBIUZKFG-ZFWWWQNUSA-N 1 2 349.862 3.149 20 30 EGEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+]([C@H]3CCc4ccc(F)cc43)C2)cc1 ZINC001043505961 1346184344 /nfs/dbraw/zinc/18/43/44/1346184344.db2.gz LLHZTCPURCXFBR-NRFANRHFSA-N 1 2 348.421 3.251 20 30 EGEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+]([C@@H](C)c3cccc(OC)c3)C2)cc1 ZINC001043505661 1346184367 /nfs/dbraw/zinc/18/43/67/1346184367.db2.gz AETGBUDTHFDLLX-INIZCTEOSA-N 1 2 348.446 3.194 20 30 EGEDLO C=C1CCC(C(=O)N(C)C2C[NH+](CCO[C@H]3CCCC[C@@H]3C)C2)CC1 ZINC001043758774 1346204571 /nfs/dbraw/zinc/20/45/71/1346204571.db2.gz AKJBGVLMZHIZMX-PXNSSMCTSA-N 1 2 348.531 3.471 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](CCOc3cccc(CC)c3)C2)C1 ZINC001043795030 1346210166 /nfs/dbraw/zinc/21/01/66/1346210166.db2.gz KIDATVBJAVPUEY-UHFFFAOYSA-N 1 2 342.483 3.127 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](Cc3ccc(OC)c(C)c3)C2)C1 ZINC001043810994 1346212104 /nfs/dbraw/zinc/21/21/04/1346212104.db2.gz MWHHJKNIHLDDSV-UHFFFAOYSA-N 1 2 328.456 3.003 20 30 EGEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](Cc3ccc(C(C)C)cc3)C2)cn1 ZINC001044205831 1346272942 /nfs/dbraw/zinc/27/29/42/1346272942.db2.gz KFLKQAXTOJEQPT-UHFFFAOYSA-N 1 2 347.462 3.143 20 30 EGEDLO CC1(C)C[C@@H]1C(=O)NC1(C)CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001045404107 1346585239 /nfs/dbraw/zinc/58/52/39/1346585239.db2.gz KTNXRNNYIZTKPH-QGZVFWFLSA-N 1 2 343.446 3.214 20 30 EGEDLO C/C=C(\C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1C#N ZINC001045749492 1346688424 /nfs/dbraw/zinc/68/84/24/1346688424.db2.gz YCDIDAVCBKQKBA-ISVUOXTPSA-N 1 2 341.430 3.229 20 30 EGEDLO C/C=C(\C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1C#N ZINC001045749492 1346688426 /nfs/dbraw/zinc/68/84/26/1346688426.db2.gz YCDIDAVCBKQKBA-ISVUOXTPSA-N 1 2 341.430 3.229 20 30 EGEDLO C[C@@]1(NC(=O)[C@@H]2CC=CCC2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046137797 1346863898 /nfs/dbraw/zinc/86/38/98/1346863898.db2.gz OPPGWQMROMDEAR-FOIQADDNSA-N 1 2 341.430 3.134 20 30 EGEDLO C[C@@]1(NC(=O)[C@@H]2CC=CCC2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046137797 1346863900 /nfs/dbraw/zinc/86/39/00/1346863900.db2.gz OPPGWQMROMDEAR-FOIQADDNSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001046338341 1346939794 /nfs/dbraw/zinc/93/97/94/1346939794.db2.gz SXWHAWPKNGIUIN-GOSISDBHSA-N 1 2 336.863 3.259 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001046338341 1346939796 /nfs/dbraw/zinc/93/97/96/1346939796.db2.gz SXWHAWPKNGIUIN-GOSISDBHSA-N 1 2 336.863 3.259 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(-c3cnco3)cc2)C1 ZINC001046424360 1346972482 /nfs/dbraw/zinc/97/24/82/1346972482.db2.gz GMOZUVOVNOFDCL-GOSISDBHSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(-c3cnco3)cc2)C1 ZINC001046424360 1346972486 /nfs/dbraw/zinc/97/24/86/1346972486.db2.gz GMOZUVOVNOFDCL-GOSISDBHSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)c2n[nH]c3ccc(C)cc32)C1 ZINC001046441118 1346976438 /nfs/dbraw/zinc/97/64/38/1346976438.db2.gz BVZCXKSJBPHVTK-IBGZPJMESA-N 1 2 326.444 3.032 20 30 EGEDLO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2n[nH]c3ccc(C)cc32)C1 ZINC001046441118 1346976439 /nfs/dbraw/zinc/97/64/39/1346976439.db2.gz BVZCXKSJBPHVTK-IBGZPJMESA-N 1 2 326.444 3.032 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3cc(C)ccc3O2)C1 ZINC001046484478 1346991237 /nfs/dbraw/zinc/99/12/37/1346991237.db2.gz LDVWTRKCKJFAKF-IEBWSBKVSA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3cc(C)ccc3O2)C1 ZINC001046484478 1346991239 /nfs/dbraw/zinc/99/12/39/1346991239.db2.gz LDVWTRKCKJFAKF-IEBWSBKVSA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(F)c(F)c2F)C1 ZINC001046585690 1347026401 /nfs/dbraw/zinc/02/64/01/1347026401.db2.gz IIIJSGDHHFKUQD-OAHLLOKOSA-N 1 2 332.753 3.051 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(F)c(F)c2F)C1 ZINC001046585690 1347026403 /nfs/dbraw/zinc/02/64/03/1347026403.db2.gz IIIJSGDHHFKUQD-OAHLLOKOSA-N 1 2 332.753 3.051 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnc3ccccc3c2)C1 ZINC001046662058 1347054959 /nfs/dbraw/zinc/05/49/59/1347054959.db2.gz CUMITIHOKHUSEY-GOSISDBHSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnc3ccccc3c2)C1 ZINC001046662058 1347054961 /nfs/dbraw/zinc/05/49/61/1347054961.db2.gz CUMITIHOKHUSEY-GOSISDBHSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1 ZINC001046690699 1347063905 /nfs/dbraw/zinc/06/39/05/1347063905.db2.gz QIMHNDMUGAVIEB-FRQCXROJSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1 ZINC001046690699 1347063907 /nfs/dbraw/zinc/06/39/07/1347063907.db2.gz QIMHNDMUGAVIEB-FRQCXROJSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc3ccccc3n2)C1 ZINC001046792671 1347105877 /nfs/dbraw/zinc/10/58/77/1347105877.db2.gz XEZPKFXXZONSOV-GOSISDBHSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3ccccc3n2)C1 ZINC001046792671 1347105878 /nfs/dbraw/zinc/10/58/78/1347105878.db2.gz XEZPKFXXZONSOV-GOSISDBHSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cncc3ccccc32)C1 ZINC001046855123 1347131602 /nfs/dbraw/zinc/13/16/02/1347131602.db2.gz PZJQLQNBOWFKCG-SFHVURJKSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cncc3ccccc32)C1 ZINC001046855123 1347131603 /nfs/dbraw/zinc/13/16/03/1347131603.db2.gz PZJQLQNBOWFKCG-SFHVURJKSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2[nH]c(C)cc2C)C1 ZINC001046953965 1347162751 /nfs/dbraw/zinc/16/27/51/1347162751.db2.gz NRIJDKIQJWZUOH-ZDUSSCGKSA-N 1 2 345.821 3.071 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2[nH]c(C)cc2C)C1 ZINC001046953965 1347162753 /nfs/dbraw/zinc/16/27/53/1347162753.db2.gz NRIJDKIQJWZUOH-ZDUSSCGKSA-N 1 2 345.821 3.071 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C1CC(C)(C)C1 ZINC001079655232 1357338672 /nfs/dbraw/zinc/33/86/72/1357338672.db2.gz VVFGERSDMMDHKQ-FZKQIMNGSA-N 1 2 343.446 3.070 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C1CC(C)(C)C1 ZINC001079655232 1357338674 /nfs/dbraw/zinc/33/86/74/1357338674.db2.gz VVFGERSDMMDHKQ-FZKQIMNGSA-N 1 2 343.446 3.070 20 30 EGEDLO Cc1cc(NC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001048061450 1347455585 /nfs/dbraw/zinc/45/55/85/1347455585.db2.gz QBYSWXQQYNGIPP-YCPHGPKFSA-N 1 2 343.475 3.107 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC1(C)C ZINC001049416119 1347838278 /nfs/dbraw/zinc/83/82/78/1347838278.db2.gz QMYLOJMCCCTAIC-MGPQQGTHSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC1(C)C ZINC001049416119 1347838281 /nfs/dbraw/zinc/83/82/81/1347838281.db2.gz QMYLOJMCCCTAIC-MGPQQGTHSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1sccc1F ZINC001049447457 1347853278 /nfs/dbraw/zinc/85/32/78/1347853278.db2.gz NXUYYFYQWIQANK-CHWSQXEVSA-N 1 2 328.840 3.319 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1sccc1F ZINC001049447457 1347853279 /nfs/dbraw/zinc/85/32/79/1347853279.db2.gz NXUYYFYQWIQANK-CHWSQXEVSA-N 1 2 328.840 3.319 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C(C)C)on1 ZINC001049622393 1347939636 /nfs/dbraw/zinc/93/96/36/1347939636.db2.gz ULIPJSBBYINXEV-HUUCEWRRSA-N 1 2 337.851 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C(C)C)on1 ZINC001049622393 1347939638 /nfs/dbraw/zinc/93/96/38/1347939638.db2.gz ULIPJSBBYINXEV-HUUCEWRRSA-N 1 2 337.851 3.229 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3Cc2coc(C)n2)CC1 ZINC001049691084 1347973548 /nfs/dbraw/zinc/97/35/48/1347973548.db2.gz UCULPTJWDRXRJC-RTBURBONSA-N 1 2 343.471 3.295 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3Cc2coc(C)n2)CC1 ZINC001049691084 1347973552 /nfs/dbraw/zinc/97/35/52/1347973552.db2.gz UCULPTJWDRXRJC-RTBURBONSA-N 1 2 343.471 3.295 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3Cc2nccs2)C1 ZINC001049708226 1347984763 /nfs/dbraw/zinc/98/47/63/1347984763.db2.gz OQKUZPBZNRLUHA-GJZGRUSLSA-N 1 2 331.485 3.065 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3Cc2nccs2)C1 ZINC001049708226 1347984766 /nfs/dbraw/zinc/98/47/66/1347984766.db2.gz OQKUZPBZNRLUHA-GJZGRUSLSA-N 1 2 331.485 3.065 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1sccc1OC ZINC001049853362 1348059862 /nfs/dbraw/zinc/05/98/62/1348059862.db2.gz AADZVRDBGKYFBQ-OLZOCXBDSA-N 1 2 340.876 3.188 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1sccc1OC ZINC001049853362 1348059865 /nfs/dbraw/zinc/05/98/65/1348059865.db2.gz AADZVRDBGKYFBQ-OLZOCXBDSA-N 1 2 340.876 3.188 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC001079809093 1357387804 /nfs/dbraw/zinc/38/78/04/1357387804.db2.gz MINSYSPNMATURV-MLGOLLRUSA-N 1 2 336.838 3.046 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC001079809093 1357387811 /nfs/dbraw/zinc/38/78/11/1357387811.db2.gz MINSYSPNMATURV-MLGOLLRUSA-N 1 2 336.838 3.046 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c(C)cccc1Cl ZINC001051091122 1348390893 /nfs/dbraw/zinc/39/08/93/1348390893.db2.gz BEXHFLKUDWQDFE-HNNXBMFYSA-N 1 2 336.863 3.045 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1c(C)cccc1Cl ZINC001051091122 1348390896 /nfs/dbraw/zinc/39/08/96/1348390896.db2.gz BEXHFLKUDWQDFE-HNNXBMFYSA-N 1 2 336.863 3.045 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(C2CC2)s1 ZINC001051208825 1348403018 /nfs/dbraw/zinc/40/30/18/1348403018.db2.gz CKGHDQGWPGPELP-OAHLLOKOSA-N 1 2 334.485 3.022 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(C2CC2)s1 ZINC001051208825 1348403020 /nfs/dbraw/zinc/40/30/20/1348403020.db2.gz CKGHDQGWPGPELP-OAHLLOKOSA-N 1 2 334.485 3.022 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1c(CC)oc2ccccc21 ZINC001051256826 1348410133 /nfs/dbraw/zinc/41/01/33/1348410133.db2.gz BDJNEIJDGKNUHH-OAHLLOKOSA-N 1 2 342.439 3.002 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1c(CC)oc2ccccc21 ZINC001051256826 1348410134 /nfs/dbraw/zinc/41/01/34/1348410134.db2.gz BDJNEIJDGKNUHH-OAHLLOKOSA-N 1 2 342.439 3.002 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)c3nocc3C)cccc2C1 ZINC001051305645 1348427030 /nfs/dbraw/zinc/42/70/30/1348427030.db2.gz PDPBZKLNSAUVIW-UHFFFAOYSA-N 1 2 345.830 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)c3nocc3C)cccc2C1 ZINC001051305645 1348427033 /nfs/dbraw/zinc/42/70/33/1348427033.db2.gz PDPBZKLNSAUVIW-UHFFFAOYSA-N 1 2 345.830 3.024 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CC1CCC(C)(C)CC1)CCO2 ZINC001053551843 1349060540 /nfs/dbraw/zinc/06/05/40/1349060540.db2.gz HPJDNTPZXTVSGT-UHFFFAOYSA-N 1 2 334.504 3.082 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)C13CCC(CC1)C3(C)C)O2 ZINC001053674707 1349091197 /nfs/dbraw/zinc/09/11/97/1349091197.db2.gz TXSDJTKIAFMBLA-BATSVXPKSA-N 1 2 346.515 3.129 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc(C=C)cc1 ZINC001054052627 1349140281 /nfs/dbraw/zinc/14/02/81/1349140281.db2.gz CJDMYZHLCBLEIL-NRFANRHFSA-N 1 2 330.431 3.120 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc(C=C)cc1 ZINC001054052627 1349140283 /nfs/dbraw/zinc/14/02/83/1349140283.db2.gz CJDMYZHLCBLEIL-NRFANRHFSA-N 1 2 330.431 3.120 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cccc(Cl)c1 ZINC001054058924 1349140884 /nfs/dbraw/zinc/14/08/84/1349140884.db2.gz AVGAFELIXRYNTK-LJQANCHMSA-N 1 2 338.838 3.130 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cccc(Cl)c1 ZINC001054058924 1349140888 /nfs/dbraw/zinc/14/08/88/1349140888.db2.gz AVGAFELIXRYNTK-LJQANCHMSA-N 1 2 338.838 3.130 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCCCC3(F)F)cc2C1 ZINC001054276361 1349276739 /nfs/dbraw/zinc/27/67/39/1349276739.db2.gz XPQYVAGMCZILIK-QGZVFWFLSA-N 1 2 332.394 3.077 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCCCC3(F)F)cc2C1 ZINC001054276361 1349276742 /nfs/dbraw/zinc/27/67/42/1349276742.db2.gz XPQYVAGMCZILIK-QGZVFWFLSA-N 1 2 332.394 3.077 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc(OCC)c(C)c3)cc2C1 ZINC001054284020 1349285511 /nfs/dbraw/zinc/28/55/11/1349285511.db2.gz AOZOGSGXRAJIKE-UHFFFAOYSA-N 1 2 348.446 3.273 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc(OCC)c(C)c3)cc2C1 ZINC001054284020 1349285516 /nfs/dbraw/zinc/28/55/16/1349285516.db2.gz AOZOGSGXRAJIKE-UHFFFAOYSA-N 1 2 348.446 3.273 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccccc3)cc2C1 ZINC001054289493 1349292861 /nfs/dbraw/zinc/29/28/61/1349292861.db2.gz INXNAHVTVOXYFX-LEWJYISDSA-N 1 2 330.431 3.055 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccccc3)cc2C1 ZINC001054289493 1349292865 /nfs/dbraw/zinc/29/28/65/1349292865.db2.gz INXNAHVTVOXYFX-LEWJYISDSA-N 1 2 330.431 3.055 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc(C)c(F)c(C)c3)cc2C1 ZINC001054292278 1349298700 /nfs/dbraw/zinc/29/87/00/1349298700.db2.gz XXFQJNRLBJGJPZ-UHFFFAOYSA-N 1 2 336.410 3.321 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc(C)c(F)c(C)c3)cc2C1 ZINC001054292278 1349298704 /nfs/dbraw/zinc/29/87/04/1349298704.db2.gz XXFQJNRLBJGJPZ-UHFFFAOYSA-N 1 2 336.410 3.321 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc3cccnc32)C1 ZINC001080057754 1357470137 /nfs/dbraw/zinc/47/01/37/1357470137.db2.gz VKCFWTVILQRNII-MLGOLLRUSA-N 1 2 329.831 3.037 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc3cccnc32)C1 ZINC001080057754 1357470141 /nfs/dbraw/zinc/47/01/41/1357470141.db2.gz VKCFWTVILQRNII-MLGOLLRUSA-N 1 2 329.831 3.037 20 30 EGEDLO C=C[C@H](C(=O)N1CCC[C@@H](Nc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001057654064 1350101847 /nfs/dbraw/zinc/10/18/47/1350101847.db2.gz AGLLTAMXKBWISP-MSOLQXFVSA-N 1 2 336.439 3.158 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCN(c3cc(C)[nH+]c(C(C)C)n3)C2)CC1 ZINC001058533464 1350262420 /nfs/dbraw/zinc/26/24/20/1350262420.db2.gz GIJMWHCCJDFJJJ-KRWDZBQOSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@H](Nc3cc(C)[nH+]c(C(C)C)n3)C2)C1 ZINC001059056720 1350353945 /nfs/dbraw/zinc/35/39/45/1350353945.db2.gz CWWYRNYDKOHVPI-HNNXBMFYSA-N 1 2 328.460 3.278 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)cc2OC)C1 ZINC001080351738 1357581520 /nfs/dbraw/zinc/58/15/20/1357581520.db2.gz QUDSOYSXDVBWNI-QMTHXVAHSA-N 1 2 343.254 3.151 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)cc2OC)C1 ZINC001080351738 1357581521 /nfs/dbraw/zinc/58/15/21/1357581521.db2.gz QUDSOYSXDVBWNI-QMTHXVAHSA-N 1 2 343.254 3.151 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001080383622 1357597764 /nfs/dbraw/zinc/59/77/64/1357597764.db2.gz NNIAGBXSLHWKOQ-IUODEOHRSA-N 1 2 341.293 3.078 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001080383622 1357597767 /nfs/dbraw/zinc/59/77/67/1357597767.db2.gz NNIAGBXSLHWKOQ-IUODEOHRSA-N 1 2 341.293 3.078 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCC[C@@H]2CNc2cc[nH+]c(C)n2)CC1 ZINC001064133938 1352483223 /nfs/dbraw/zinc/48/32/23/1352483223.db2.gz AFLIHBJXJGVHIH-IAGOWNOFSA-N 1 2 328.460 3.228 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C(C)C)nc2C)C1 ZINC001080463070 1357627539 /nfs/dbraw/zinc/62/75/39/1357627539.db2.gz YVZGSLNXBIUVGF-SJKOYZFVSA-N 1 2 335.879 3.316 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C(C)C)nc2C)C1 ZINC001080463070 1357627543 /nfs/dbraw/zinc/62/75/43/1357627543.db2.gz YVZGSLNXBIUVGF-SJKOYZFVSA-N 1 2 335.879 3.316 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CCN2c1nc(C)[nH+]c(C)c1C ZINC001066171693 1352992468 /nfs/dbraw/zinc/99/24/68/1352992468.db2.gz HJWUAIIEKVABCJ-DLBZAZTESA-N 1 2 342.487 3.184 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@]2(CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001066872593 1353260710 /nfs/dbraw/zinc/26/07/10/1353260710.db2.gz SIVFUAFIEUGLQE-PMACEKPBSA-N 1 2 342.487 3.206 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC(CN(CC)c2cc[nH+]c(C)n2)CC1 ZINC001067637924 1353477244 /nfs/dbraw/zinc/47/72/44/1353477244.db2.gz QIBRYOHVWUZYDL-HXUWFJFHSA-N 1 2 344.503 3.452 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001067784896 1353521214 /nfs/dbraw/zinc/52/12/14/1353521214.db2.gz BOTPZSVQNQUZIW-MRXNPFEDSA-N 1 2 342.487 3.302 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@@H]3CCC[C@H](Nc4cc[nH+]c(C)n4)[C@@H]3C2)C1 ZINC001069318497 1354001559 /nfs/dbraw/zinc/00/15/59/1354001559.db2.gz GZQOOWHVYWIJTK-BBWFWOEESA-N 1 2 340.471 3.180 20 30 EGEDLO Cc1ccccc1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001085464970 1358519935 /nfs/dbraw/zinc/51/99/35/1358519935.db2.gz QKXPBAORQVONLY-OAHLLOKOSA-N 1 2 339.464 3.275 20 30 EGEDLO Cc1ccccc1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001085464970 1358519937 /nfs/dbraw/zinc/51/99/37/1358519937.db2.gz QKXPBAORQVONLY-OAHLLOKOSA-N 1 2 339.464 3.275 20 30 EGEDLO C=C(C)CC[N@@H+]1Cc2cnn(C3CCN(C(=O)[C@H](F)CC)CC3)c2C1 ZINC001070347863 1354326870 /nfs/dbraw/zinc/32/68/70/1354326870.db2.gz RCIHUIZAGUMSLQ-QGZVFWFLSA-N 1 2 348.466 3.077 20 30 EGEDLO C=C(C)CC[N@H+]1Cc2cnn(C3CCN(C(=O)[C@H](F)CC)CC3)c2C1 ZINC001070347863 1354326875 /nfs/dbraw/zinc/32/68/75/1354326875.db2.gz RCIHUIZAGUMSLQ-QGZVFWFLSA-N 1 2 348.466 3.077 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)c2ccsc2)C[N@@H+]1Cc1ccccc1C#N ZINC001071335025 1354602101 /nfs/dbraw/zinc/60/21/01/1354602101.db2.gz PGVCYCWEKBDTSO-KDOFPFPSSA-N 1 2 339.464 3.403 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)c2ccsc2)C[N@H+]1Cc1ccccc1C#N ZINC001071335025 1354602107 /nfs/dbraw/zinc/60/21/07/1354602107.db2.gz PGVCYCWEKBDTSO-KDOFPFPSSA-N 1 2 339.464 3.403 20 30 EGEDLO C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C(F)C(F)(F)F)C2)CC1 ZINC001086924331 1359249922 /nfs/dbraw/zinc/24/99/22/1359249922.db2.gz PPOCFEWLYGPPPF-CHWSQXEVSA-N 1 2 336.373 3.166 20 30 EGEDLO C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](F)C(F)(F)F)C2)CC1 ZINC001086924331 1359249926 /nfs/dbraw/zinc/24/99/26/1359249926.db2.gz PPOCFEWLYGPPPF-CHWSQXEVSA-N 1 2 336.373 3.166 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)c2ccoc2)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001071350580 1354619981 /nfs/dbraw/zinc/61/99/81/1354619981.db2.gz XFZMRGLVYNMRMP-HNAYVOBHSA-N 1 2 340.398 3.053 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)c2ccoc2)C[N@H+]1CC#Cc1ccc(F)cc1 ZINC001071350580 1354619987 /nfs/dbraw/zinc/61/99/87/1354619987.db2.gz XFZMRGLVYNMRMP-HNAYVOBHSA-N 1 2 340.398 3.053 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)CC2CCC2)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC001071399270 1354662326 /nfs/dbraw/zinc/66/23/26/1354662326.db2.gz QFCKQPXJRTXDAU-KUHUBIRLSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)CC2CCC2)C[N@H+]1Cc1cc(F)ccc1C#N ZINC001071399270 1354662330 /nfs/dbraw/zinc/66/23/30/1354662330.db2.gz QFCKQPXJRTXDAU-KUHUBIRLSA-N 1 2 343.446 3.357 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)C2CC(C)(C)C2)CC[C@H]1C ZINC001071477855 1354717071 /nfs/dbraw/zinc/71/70/71/1354717071.db2.gz PXWCYHNQCKHFMH-OCCSQVGLSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)C2CC(C)(C)C2)CC[C@H]1C ZINC001071477855 1354717073 /nfs/dbraw/zinc/71/70/73/1354717073.db2.gz PXWCYHNQCKHFMH-OCCSQVGLSA-N 1 2 343.309 3.300 20 30 EGEDLO CC#CC[N@@H+]1C[C@H](NC(=O)c2snc(Cl)c2Cl)CC[C@@H]1C ZINC001071536201 1354752717 /nfs/dbraw/zinc/75/27/17/1354752717.db2.gz DLJFBWPSZAPEBL-VHSXEESVSA-N 1 2 346.283 3.056 20 30 EGEDLO CC#CC[N@H+]1C[C@H](NC(=O)c2snc(Cl)c2Cl)CC[C@@H]1C ZINC001071536201 1354752719 /nfs/dbraw/zinc/75/27/19/1354752719.db2.gz DLJFBWPSZAPEBL-VHSXEESVSA-N 1 2 346.283 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc3c(o2)CCCC3)CC[C@H]1C ZINC001071561820 1354765437 /nfs/dbraw/zinc/76/54/37/1354765437.db2.gz VOFQMADFTXOBFC-HIFRSBDPSA-N 1 2 336.863 3.494 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc3c(o2)CCCC3)CC[C@H]1C ZINC001071561820 1354765441 /nfs/dbraw/zinc/76/54/41/1354765441.db2.gz VOFQMADFTXOBFC-HIFRSBDPSA-N 1 2 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/nfs/dbraw/zinc/15/09/06/1358150906.db2.gz RBORVHZSNYNQQU-IUODEOHRSA-N 1 2 343.477 3.028 20 30 EGEDLO CCc1occc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084317281 1358190851 /nfs/dbraw/zinc/19/08/51/1358190851.db2.gz DQGFMGNWMOKUFL-IEBWSBKVSA-N 1 2 349.434 3.060 20 30 EGEDLO CCc1occc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084317281 1358190855 /nfs/dbraw/zinc/19/08/55/1358190855.db2.gz DQGFMGNWMOKUFL-IEBWSBKVSA-N 1 2 349.434 3.060 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)sc3C)C[C@H]21 ZINC001084578083 1358242745 /nfs/dbraw/zinc/24/27/45/1358242745.db2.gz JNGLCIDWIFQSFT-GDBMZVCRSA-N 1 2 333.501 3.005 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)sc3C)C[C@H]21 ZINC001084578083 1358242758 /nfs/dbraw/zinc/24/27/58/1358242758.db2.gz JNGLCIDWIFQSFT-GDBMZVCRSA-N 1 2 333.501 3.005 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc[nH]c3C3CCC3)[C@@H]2C1 ZINC001084661039 1358272404 /nfs/dbraw/zinc/27/24/04/1358272404.db2.gz DOXARTQORNAKTB-GDBMZVCRSA-N 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C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3CCC(F)(F)CC3)[C@@H]2C1 ZINC001084684819 1358280056 /nfs/dbraw/zinc/28/00/56/1358280056.db2.gz ZOPGKKBKGHPWHJ-ZIAGYGMSSA-N 1 2 332.822 3.097 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CCC(F)(F)CC3)[C@@H]2C1 ZINC001084684819 1358280059 /nfs/dbraw/zinc/28/00/59/1358280059.db2.gz ZOPGKKBKGHPWHJ-ZIAGYGMSSA-N 1 2 332.822 3.097 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084698418 1358284509 /nfs/dbraw/zinc/28/45/09/1358284509.db2.gz VBIFRSHTYRXAQS-LSBZLQRGSA-N 1 2 343.446 3.022 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084698418 1358284513 /nfs/dbraw/zinc/28/45/13/1358284513.db2.gz VBIFRSHTYRXAQS-LSBZLQRGSA-N 1 2 343.446 3.022 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)c3ccccc3F)[C@@H]2C1 ZINC001084728215 1358293750 /nfs/dbraw/zinc/29/37/50/1358293750.db2.gz OQOVYMZBOXVDHQ-CKEIUWERSA-N 1 2 336.838 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)c3ccccc3F)[C@@H]2C1 ZINC001084728215 1358293753 /nfs/dbraw/zinc/29/37/53/1358293753.db2.gz OQOVYMZBOXVDHQ-CKEIUWERSA-N 1 2 336.838 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)c3ccccc3C)[C@@H]2C1 ZINC001084846684 1358327281 /nfs/dbraw/zinc/32/72/81/1358327281.db2.gz VBDHVSVDGUMLJK-JFIYKMOQSA-N 1 2 332.875 3.384 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)c3ccccc3C)[C@@H]2C1 ZINC001084846684 1358327282 /nfs/dbraw/zinc/32/72/82/1358327282.db2.gz VBDHVSVDGUMLJK-JFIYKMOQSA-N 1 2 332.875 3.384 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@@H]1CC=CCC1 ZINC001085479682 1358532058 /nfs/dbraw/zinc/53/20/58/1358532058.db2.gz XWKVYVDAMVFEIQ-UYAOXDASSA-N 1 2 340.442 3.066 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@@H]1CC=CCC1 ZINC001085479682 1358532062 /nfs/dbraw/zinc/53/20/62/1358532062.db2.gz XWKVYVDAMVFEIQ-UYAOXDASSA-N 1 2 340.442 3.066 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)o1 ZINC001085488219 1358541753 /nfs/dbraw/zinc/54/17/53/1358541753.db2.gz ULUGCTXRKYBFBB-HNNXBMFYSA-N 1 2 343.814 3.151 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)o1 ZINC001085488219 1358541756 /nfs/dbraw/zinc/54/17/56/1358541756.db2.gz ULUGCTXRKYBFBB-HNNXBMFYSA-N 1 2 343.814 3.151 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)C1C(C)(C)C1(C)C ZINC001085537163 1358574506 /nfs/dbraw/zinc/57/45/06/1358574506.db2.gz RMTQKVPSOKPRRD-QGZVFWFLSA-N 1 2 339.483 3.273 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)C1C(C)(C)C1(C)C ZINC001085537163 1358574509 /nfs/dbraw/zinc/57/45/09/1358574509.db2.gz RMTQKVPSOKPRRD-QGZVFWFLSA-N 1 2 339.483 3.273 20 30 EGEDLO CN(C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N)c1ccccc1N ZINC001183833730 1387356424 /nfs/dbraw/zinc/35/64/24/1387356424.db2.gz BXJPSXUVJDOIOI-HXUWFJFHSA-N 1 2 348.450 3.158 20 30 EGEDLO CN(C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N)c1ccccc1N ZINC001183833730 1387356425 /nfs/dbraw/zinc/35/64/25/1387356425.db2.gz BXJPSXUVJDOIOI-HXUWFJFHSA-N 1 2 348.450 3.158 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001085827971 1358795354 /nfs/dbraw/zinc/79/53/54/1358795354.db2.gz HWCLLKMOWNYSMV-QHAWAJNXSA-N 1 2 338.495 3.253 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001085827971 1358795358 /nfs/dbraw/zinc/79/53/58/1358795358.db2.gz HWCLLKMOWNYSMV-QHAWAJNXSA-N 1 2 338.495 3.253 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001085867680 1358833919 /nfs/dbraw/zinc/83/39/19/1358833919.db2.gz SLQROQTVWILRNH-HSALFYBXSA-N 1 2 337.467 3.027 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001085867680 1358833924 /nfs/dbraw/zinc/83/39/24/1358833924.db2.gz SLQROQTVWILRNH-HSALFYBXSA-N 1 2 337.467 3.027 20 30 EGEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2cc(C)ccc2s1 ZINC001085901844 1358860213 /nfs/dbraw/zinc/86/02/13/1358860213.db2.gz OLALRXNXJFJXRZ-MRXNPFEDSA-N 1 2 326.465 3.379 20 30 EGEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2cc(C)ccc2s1 ZINC001085901844 1358860219 /nfs/dbraw/zinc/86/02/19/1358860219.db2.gz OLALRXNXJFJXRZ-MRXNPFEDSA-N 1 2 326.465 3.379 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1CC12CCCC2 ZINC001085909459 1358869691 /nfs/dbraw/zinc/86/96/91/1358869691.db2.gz JYNSVQIATMPYPN-PBHICJAKSA-N 1 2 343.496 3.233 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1CC12CCCC2 ZINC001085909459 1358869693 /nfs/dbraw/zinc/86/96/93/1358869693.db2.gz JYNSVQIATMPYPN-PBHICJAKSA-N 1 2 343.496 3.233 20 30 EGEDLO Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2CC#Cc2ccccc2)cc1 ZINC001085940893 1358898136 /nfs/dbraw/zinc/89/81/36/1358898136.db2.gz SELMRKXCXSQCSQ-OAQYLSRUSA-N 1 2 332.447 3.193 20 30 EGEDLO Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2CC#Cc2ccccc2)cc1 ZINC001085940893 1358898137 /nfs/dbraw/zinc/89/81/37/1358898137.db2.gz SELMRKXCXSQCSQ-OAQYLSRUSA-N 1 2 332.447 3.193 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)C1CCC=CCC1 ZINC001085976092 1358931312 /nfs/dbraw/zinc/93/13/12/1358931312.db2.gz NOCQZLBPJYLZEF-INIZCTEOSA-N 1 2 343.496 3.399 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)C1CCC=CCC1 ZINC001085976092 1358931314 /nfs/dbraw/zinc/93/13/14/1358931314.db2.gz NOCQZLBPJYLZEF-INIZCTEOSA-N 1 2 343.496 3.399 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC2(C)C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087544497 1359524722 /nfs/dbraw/zinc/52/47/22/1359524722.db2.gz MHLXANRHWWTLEO-FGTMMUONSA-N 1 2 343.446 3.213 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC2(C)C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087544497 1359524724 /nfs/dbraw/zinc/52/47/24/1359524724.db2.gz MHLXANRHWWTLEO-FGTMMUONSA-N 1 2 343.446 3.213 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCCCC[C@@H]([NH2+]Cc2noc(CC)n2)C1 ZINC001088374627 1359856349 /nfs/dbraw/zinc/85/63/49/1359856349.db2.gz MQYOQPIJBOCNSN-BEFAXECRSA-N 1 2 348.491 3.095 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CC2CCCC2)[C@H]1C ZINC001088452371 1359915972 /nfs/dbraw/zinc/91/59/72/1359915972.db2.gz IBDHARMOJPOEBK-OCCSQVGLSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CC2CCCC2)[C@H]1C ZINC001088452371 1359915977 /nfs/dbraw/zinc/91/59/77/1359915977.db2.gz IBDHARMOJPOEBK-OCCSQVGLSA-N 1 2 329.282 3.054 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)c(C)o1 ZINC001088464036 1359925774 /nfs/dbraw/zinc/92/57/74/1359925774.db2.gz BXBRTSKUYRPVFZ-KUHUBIRLSA-N 1 2 337.423 3.161 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)c(C)o1 ZINC001088464036 1359925779 /nfs/dbraw/zinc/92/57/79/1359925779.db2.gz BXBRTSKUYRPVFZ-KUHUBIRLSA-N 1 2 337.423 3.161 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(F)cc(C)cc2F)[C@H]1C ZINC001088732110 1360024352 /nfs/dbraw/zinc/02/43/52/1360024352.db2.gz ODHGYILYMJKTPU-RISCZKNCSA-N 1 2 328.790 3.218 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(F)cc(C)cc2F)[C@H]1C ZINC001088732110 1360024356 /nfs/dbraw/zinc/02/43/56/1360024356.db2.gz ODHGYILYMJKTPU-RISCZKNCSA-N 1 2 328.790 3.218 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2coc3ccccc23)[C@H]1C ZINC001088941414 1360109606 /nfs/dbraw/zinc/10/96/06/1360109606.db2.gz YRYHTEXGKHYYQH-CJNGLKHVSA-N 1 2 332.831 3.307 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2coc3ccccc23)[C@H]1C ZINC001088941414 1360109611 /nfs/dbraw/zinc/10/96/11/1360109611.db2.gz YRYHTEXGKHYYQH-CJNGLKHVSA-N 1 2 332.831 3.307 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnc3ccc(F)cc3c2)[C@H]1C ZINC001088959185 1360116528 /nfs/dbraw/zinc/11/65/28/1360116528.db2.gz PWRJVRYYPVRMJB-WBMJQRKESA-N 1 2 347.821 3.319 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnc3ccc(F)cc3c2)[C@H]1C ZINC001088959185 1360116531 /nfs/dbraw/zinc/11/65/31/1360116531.db2.gz PWRJVRYYPVRMJB-WBMJQRKESA-N 1 2 347.821 3.319 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn([C@H](C)CC)c2C)[C@H]1C ZINC001088969214 1360119422 /nfs/dbraw/zinc/11/94/22/1360119422.db2.gz MNMDLAGGWLWNHY-XPKDYRNWSA-N 1 2 338.883 3.108 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn([C@H](C)CC)c2C)[C@H]1C ZINC001088969214 1360119423 /nfs/dbraw/zinc/11/94/23/1360119423.db2.gz MNMDLAGGWLWNHY-XPKDYRNWSA-N 1 2 338.883 3.108 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccc(C)s2)[C@H]1C ZINC001088979679 1360122850 /nfs/dbraw/zinc/12/28/50/1360122850.db2.gz AFNPMUGZRYCFTM-MJBXVCDLSA-N 1 2 326.893 3.492 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccc(C)s2)[C@H]1C ZINC001088979679 1360122852 /nfs/dbraw/zinc/12/28/52/1360122852.db2.gz AFNPMUGZRYCFTM-MJBXVCDLSA-N 1 2 326.893 3.492 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)N(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC001089129776 1360190740 /nfs/dbraw/zinc/19/07/40/1360190740.db2.gz RYTREWWNVKFPKH-ZBFHGGJFSA-N 1 2 342.487 3.104 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089151469 1360206915 /nfs/dbraw/zinc/20/69/15/1360206915.db2.gz ZIZNVTVWAYLFEE-CXAGYDPISA-N 1 2 330.476 3.232 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089156629 1360211706 /nfs/dbraw/zinc/21/17/06/1360211706.db2.gz TZQICGCVJOXLGQ-DYVFJYSZSA-N 1 2 344.503 3.478 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089162692 1360219352 /nfs/dbraw/zinc/21/93/52/1360219352.db2.gz SBTQNJLXQGWORZ-KSSFIOAISA-N 1 2 342.487 3.069 20 30 EGEDLO C#CCCCC(=O)N[C@H](C)C[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001089299338 1360318410 /nfs/dbraw/zinc/31/84/10/1360318410.db2.gz TXXZRGXLQGVNRZ-LSDHHAIUSA-N 1 2 330.476 3.407 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(C)n1C ZINC001089608448 1360531457 /nfs/dbraw/zinc/53/14/57/1360531457.db2.gz ALVXRETULUMWDQ-HNNXBMFYSA-N 1 2 337.895 3.306 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(C)n1C ZINC001089608448 1360531459 /nfs/dbraw/zinc/53/14/59/1360531459.db2.gz ALVXRETULUMWDQ-HNNXBMFYSA-N 1 2 337.895 3.306 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccncc1F ZINC001089621311 1360539122 /nfs/dbraw/zinc/53/91/22/1360539122.db2.gz QQHMWVVUOUQAMV-CYBMUJFWSA-N 1 2 339.842 3.194 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccncc1F ZINC001089621311 1360539127 /nfs/dbraw/zinc/53/91/27/1360539127.db2.gz QQHMWVVUOUQAMV-CYBMUJFWSA-N 1 2 339.842 3.194 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001090241977 1360871564 /nfs/dbraw/zinc/87/15/64/1360871564.db2.gz ZMHVDNZLDUSXFH-HOCLYGCPSA-N 1 2 328.460 3.420 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H](CNc2cc[nH+]c(C)n2)[C@@H](C)C1 ZINC001090274750 1360881903 /nfs/dbraw/zinc/88/19/03/1360881903.db2.gz GDNLDAJDABCHKO-GOEBONIOSA-N 1 2 330.476 3.284 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C12CCC2 ZINC001090598229 1360904515 /nfs/dbraw/zinc/90/45/15/1360904515.db2.gz FSGOSBJOZWGNTG-HZPDHXFCSA-N 1 2 340.471 3.468 20 30 EGEDLO C#CCC1(C(=O)N2C[C@@H](C)[C@H](Nc3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001090981595 1360968282 /nfs/dbraw/zinc/96/82/82/1360968282.db2.gz CMSDTUASZBQUFI-NVXWUHKLSA-N 1 2 340.471 3.018 20 30 EGEDLO C=CCC1(C(=O)N2C[C@@H](C)[C@H](Nc3cc[nH+]c(C)n3)C2)CCCC1 ZINC001090984426 1360968820 /nfs/dbraw/zinc/96/88/20/1360968820.db2.gz PGIKAPGDVWECQY-GDBMZVCRSA-N 1 2 328.460 3.180 20 30 EGEDLO C=CCCCC(=O)N1C[C@@H](C)[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001091018261 1360979884 /nfs/dbraw/zinc/97/98/84/1360979884.db2.gz GKNFDTFSMWVICA-RDTXWAMCSA-N 1 2 342.487 3.279 20 30 EGEDLO C=C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001091351435 1361055611 /nfs/dbraw/zinc/05/56/11/1361055611.db2.gz SHBOWPGHZFRAAR-BPQIPLTHSA-N 1 2 336.439 3.062 20 30 EGEDLO C=CCCCC(=O)N1CC2(C[C@@H]1C)CCN(c1cc[nH+]c(C)n1)CC2 ZINC001091652440 1361170329 /nfs/dbraw/zinc/17/03/29/1361170329.db2.gz WLVKKEYTPYNCSY-INIZCTEOSA-N 1 2 342.487 3.349 20 30 EGEDLO C=CCCC(=O)N1C[C@H]2CCN(c3cc(C)[nH+]c(C(C)C)n3)C[C@H]2C1 ZINC001091847426 1361234738 /nfs/dbraw/zinc/23/47/38/1361234738.db2.gz BHVYIAZGXRSRPQ-SJORKVTESA-N 1 2 342.487 3.159 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001092046389 1361281741 /nfs/dbraw/zinc/28/17/41/1361281741.db2.gz GIDMWHUHYSXLFJ-PTSWNOGYSA-N 1 2 342.487 3.348 20 30 EGEDLO C=CCCC1(C(=O)NCC[C@@H]2CN(c3cc[nH+]c(C)n3)C[C@H]2C)CC1 ZINC001092583973 1361416483 /nfs/dbraw/zinc/41/64/83/1361416483.db2.gz AVQKQXFVCQACSM-NVXWUHKLSA-N 1 2 342.487 3.110 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(C(C)C)n1 ZINC001092882987 1361477133 /nfs/dbraw/zinc/47/71/33/1361477133.db2.gz FZHWOJVPFQHGOZ-IKGGRYGDSA-N 1 2 342.487 3.491 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2C[N@H+]([C@@H](C)c3csnn3)C[C@H]2C)CC1 ZINC001092940409 1361491180 /nfs/dbraw/zinc/49/11/80/1361491180.db2.gz MHIDCSMIKXJRAE-IJEWVQPXSA-N 1 2 348.516 3.030 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2C[N@@H+]([C@@H](C)c3csnn3)C[C@H]2C)CC1 ZINC001092940409 1361491182 /nfs/dbraw/zinc/49/11/82/1361491182.db2.gz MHIDCSMIKXJRAE-IJEWVQPXSA-N 1 2 348.516 3.030 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CCCC4(CC4)C3)CC2)C1 ZINC001093535916 1361636607 /nfs/dbraw/zinc/63/66/07/1361636607.db2.gz CHRLBCXBKLGDOD-KRWDZBQOSA-N 1 2 346.515 3.225 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[C@H]3C=CCCC3)CC2)C1 ZINC001093545479 1361638293 /nfs/dbraw/zinc/63/82/93/1361638293.db2.gz HRIQNAWQXXPZIJ-KRWDZBQOSA-N 1 2 332.488 3.001 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@]3(C)CCC[C@@H]3CC)CC2)C1 ZINC001093547053 1361639223 /nfs/dbraw/zinc/63/92/23/1361639223.db2.gz ZGMPWRZUBRFBKN-OXJNMPFZSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CCCC[C@H]3C)CC2)C1 ZINC001093564930 1361643937 /nfs/dbraw/zinc/64/39/37/1361643937.db2.gz FIPPXJRTOWXCRL-APWZRJJASA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H](C)c3cccs3)CC2)C1 ZINC001093572518 1361646918 /nfs/dbraw/zinc/64/69/18/1361646918.db2.gz NUSFKTPDAAKUSD-HNNXBMFYSA-N 1 2 348.512 3.120 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@@H](C)C3CCCCC3)CC2)C1 ZINC001093583446 1361648641 /nfs/dbraw/zinc/64/86/41/1361648641.db2.gz QWAVFWGFCKKPAV-QGZVFWFLSA-N 1 2 348.531 3.471 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3CC4CCC3CC4)CC2)C1 ZINC001093599183 1361653815 /nfs/dbraw/zinc/65/38/15/1361653815.db2.gz RZNWVSYGPBRVPG-LBXVMSDZSA-N 1 2 346.515 3.081 20 30 EGEDLO Cc1cc(N[C@H]2CCCN(C(=O)C#CC(C)(C)C)C2)nc(C2CC2)[nH+]1 ZINC001095294724 1362087130 /nfs/dbraw/zinc/08/71/30/1362087130.db2.gz VJOZLADILXRBOA-INIZCTEOSA-N 1 2 340.471 3.115 20 30 EGEDLO C=CCC(C)(C)C(=O)NC1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095449938 1362144775 /nfs/dbraw/zinc/14/47/75/1362144775.db2.gz UWTZKTMLBJOMFY-UHFFFAOYSA-N 1 2 342.487 3.350 20 30 EGEDLO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C1CCC1 ZINC001095603905 1362182822 /nfs/dbraw/zinc/18/28/22/1362182822.db2.gz WISDBJWHKQTWPZ-WBCYEJBOSA-N 1 2 337.467 3.216 20 30 EGEDLO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C1CCC1 ZINC001095603905 1362182823 /nfs/dbraw/zinc/18/28/23/1362182823.db2.gz WISDBJWHKQTWPZ-WBCYEJBOSA-N 1 2 337.467 3.216 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCCN(CC)c1nc(C)[nH+]c(C)c1C ZINC001095921581 1362289003 /nfs/dbraw/zinc/28/90/03/1362289003.db2.gz BBTBTAWBUZUTJQ-UHFFFAOYSA-N 1 2 332.492 3.337 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc(C)sc2C)C1 ZINC001095983187 1362321839 /nfs/dbraw/zinc/32/18/39/1362321839.db2.gz URGLODNVPVBPCR-VYDXJSESSA-N 1 2 345.512 3.338 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc(C)sc2C)C1 ZINC001095983187 1362321844 /nfs/dbraw/zinc/32/18/44/1362321844.db2.gz URGLODNVPVBPCR-VYDXJSESSA-N 1 2 345.512 3.338 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3ccccc3C1)C2 ZINC001096068722 1362364627 /nfs/dbraw/zinc/36/46/27/1362364627.db2.gz WOCWPDIBEHNDND-RDGPPVDQSA-N 1 2 344.886 3.266 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3ccccc3C1)C2 ZINC001096068722 1362364632 /nfs/dbraw/zinc/36/46/32/1362364632.db2.gz WOCWPDIBEHNDND-RDGPPVDQSA-N 1 2 344.886 3.266 20 30 EGEDLO Cc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001096751694 1362687473 /nfs/dbraw/zinc/68/74/73/1362687473.db2.gz GLNZWCLDUZEMGN-NRSPTQNISA-N 1 2 345.446 3.402 20 30 EGEDLO Cc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001096751694 1362687475 /nfs/dbraw/zinc/68/74/75/1362687475.db2.gz GLNZWCLDUZEMGN-NRSPTQNISA-N 1 2 345.446 3.402 20 30 EGEDLO Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)c1 ZINC001096758653 1362691239 /nfs/dbraw/zinc/69/12/39/1362691239.db2.gz UZMAOEYRVIBTLT-NJYVYQBISA-N 1 2 345.446 3.402 20 30 EGEDLO Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)c1 ZINC001096758653 1362691242 /nfs/dbraw/zinc/69/12/42/1362691242.db2.gz UZMAOEYRVIBTLT-NJYVYQBISA-N 1 2 345.446 3.402 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC=CCC1)C2 ZINC001096794453 1362713694 /nfs/dbraw/zinc/71/36/94/1362713694.db2.gz ROYCJOHZHYIHNR-OBZTUIKSSA-N 1 2 335.451 3.136 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC=CCC1)C2 ZINC001096794453 1362713706 /nfs/dbraw/zinc/71/37/06/1362713706.db2.gz ROYCJOHZHYIHNR-OBZTUIKSSA-N 1 2 335.451 3.136 20 30 EGEDLO C=C(C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]c(CC)n1 ZINC001097128122 1362854915 /nfs/dbraw/zinc/85/49/15/1362854915.db2.gz DBOWZICSDOAYNK-ALOPSCKCSA-N 1 2 342.487 3.320 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097333933 1362938721 /nfs/dbraw/zinc/93/87/21/1362938721.db2.gz XGSLHTCXQRCGRE-QGZVFWFLSA-N 1 2 344.503 3.337 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097348271 1362945960 /nfs/dbraw/zinc/94/59/60/1362945960.db2.gz BIMWZYPIONMJPC-KRWDZBQOSA-N 1 2 344.503 3.337 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097348272 1362946229 /nfs/dbraw/zinc/94/62/29/1362946229.db2.gz BIMWZYPIONMJPC-QGZVFWFLSA-N 1 2 344.503 3.337 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC001097493689 1363019377 /nfs/dbraw/zinc/01/93/77/1363019377.db2.gz MKPUFFPODMRPTI-KRWDZBQOSA-N 1 2 328.460 3.346 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H](C)[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001097542637 1363049995 /nfs/dbraw/zinc/04/99/95/1363049995.db2.gz KBFPCZDXUSJYJF-GOEBONIOSA-N 1 2 330.476 3.108 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3cc(F)ccc31)C2 ZINC001097554992 1363055098 /nfs/dbraw/zinc/05/50/98/1363055098.db2.gz XHFQANKLRQRBGQ-SPUZQDLCSA-N 1 2 348.849 3.330 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3cc(F)ccc31)C2 ZINC001097554992 1363055101 /nfs/dbraw/zinc/05/51/01/1363055101.db2.gz XHFQANKLRQRBGQ-SPUZQDLCSA-N 1 2 348.849 3.330 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@@H]2CC[C@@H](Nc3cc[nH+]c(C)n3)[C@@H]2C1 ZINC001097603651 1363068407 /nfs/dbraw/zinc/06/84/07/1363068407.db2.gz ICHRPKXWKZLACS-ARFHVFGLSA-N 1 2 328.460 3.036 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3ccsc3[nH]1)C2 ZINC001097613426 1363075488 /nfs/dbraw/zinc/07/54/88/1363075488.db2.gz UGUMDLAUTPXAPS-BZPMIXESSA-N 1 2 335.860 3.317 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3ccsc3[nH]1)C2 ZINC001097613426 1363075491 /nfs/dbraw/zinc/07/54/91/1363075491.db2.gz UGUMDLAUTPXAPS-BZPMIXESSA-N 1 2 335.860 3.317 20 30 EGEDLO Cc1cc(NC2CCC(NC(=O)C#CC(C)C)CC2)nc(C2CC2)[nH+]1 ZINC001097623521 1363079031 /nfs/dbraw/zinc/07/90/31/1363079031.db2.gz PXVNBPVDYOSDGS-UHFFFAOYSA-N 1 2 340.471 3.161 20 30 EGEDLO Cc1nc(NC2CCC(NC(=O)CC#Cc3ccccc3)CC2)cc[nH+]1 ZINC001097627147 1363080267 /nfs/dbraw/zinc/08/02/67/1363080267.db2.gz GTACODRTVSFDJT-UHFFFAOYSA-N 1 2 348.450 3.066 20 30 EGEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(CC(C)(C)C)s1)C2 ZINC001098167198 1363241990 /nfs/dbraw/zinc/24/19/90/1363241990.db2.gz OUMGZMWWJCPNMQ-KFWWJZLASA-N 1 2 345.512 3.090 20 30 EGEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(CC(C)(C)C)s1)C2 ZINC001098167198 1363241992 /nfs/dbraw/zinc/24/19/92/1363241992.db2.gz OUMGZMWWJCPNMQ-KFWWJZLASA-N 1 2 345.512 3.090 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)C2 ZINC001098482036 1363339307 /nfs/dbraw/zinc/33/93/07/1363339307.db2.gz NDKMIFLFIQZYSW-ILOCAZANSA-N 1 2 348.849 3.403 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)C2 ZINC001098482036 1363339311 /nfs/dbraw/zinc/33/93/11/1363339311.db2.gz NDKMIFLFIQZYSW-ILOCAZANSA-N 1 2 348.849 3.403 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)OCC ZINC001098949209 1363536004 /nfs/dbraw/zinc/53/60/04/1363536004.db2.gz PWIHZJDLPHMYKG-GJZGRUSLSA-N 1 2 330.900 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)OCC ZINC001098949209 1363536007 /nfs/dbraw/zinc/53/60/07/1363536007.db2.gz PWIHZJDLPHMYKG-GJZGRUSLSA-N 1 2 330.900 3.161 20 30 EGEDLO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001099084912 1363614541 /nfs/dbraw/zinc/61/45/41/1363614541.db2.gz HOOFFUHNGYRCJV-STQMWFEESA-N 1 2 338.389 3.460 20 30 EGEDLO C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001099084912 1363614542 /nfs/dbraw/zinc/61/45/42/1363614542.db2.gz HOOFFUHNGYRCJV-STQMWFEESA-N 1 2 338.389 3.460 20 30 EGEDLO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC001099084912 1363614543 /nfs/dbraw/zinc/61/45/43/1363614543.db2.gz HOOFFUHNGYRCJV-STQMWFEESA-N 1 2 338.389 3.460 20 30 EGEDLO C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC001099084912 1363614544 /nfs/dbraw/zinc/61/45/44/1363614544.db2.gz HOOFFUHNGYRCJV-STQMWFEESA-N 1 2 338.389 3.460 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nonc1C ZINC001099093132 1363617985 /nfs/dbraw/zinc/61/79/85/1363617985.db2.gz MLAOCWHULQECAG-HNNXBMFYSA-N 1 2 348.491 3.087 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nonc1C ZINC001099093132 1363617988 /nfs/dbraw/zinc/61/79/88/1363617988.db2.gz MLAOCWHULQECAG-HNNXBMFYSA-N 1 2 348.491 3.087 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nnc(C)o1 ZINC001099093395 1363618338 /nfs/dbraw/zinc/61/83/38/1363618338.db2.gz PQHOGZYKIPDWPP-OAHLLOKOSA-N 1 2 348.491 3.087 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nnc(C)o1 ZINC001099093395 1363618339 /nfs/dbraw/zinc/61/83/39/1363618339.db2.gz PQHOGZYKIPDWPP-OAHLLOKOSA-N 1 2 348.491 3.087 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccn(C)n1 ZINC001099220806 1363698632 /nfs/dbraw/zinc/69/86/32/1363698632.db2.gz SKNKUQHVCHMBTL-YLJYHZDGSA-N 1 2 346.519 3.129 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccn(C)n1 ZINC001099220806 1363698636 /nfs/dbraw/zinc/69/86/36/1363698636.db2.gz SKNKUQHVCHMBTL-YLJYHZDGSA-N 1 2 346.519 3.129 20 30 EGEDLO CC#CCCCC(=O)NCCN(C)c1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001100272128 1364064121 /nfs/dbraw/zinc/06/41/21/1364064121.db2.gz HDVIKXDWZWNMTE-UHFFFAOYSA-N 1 2 344.503 3.469 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCN(CC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001100676277 1364213963 /nfs/dbraw/zinc/21/39/63/1364213963.db2.gz FVAUMSYWZZBEAH-UHFFFAOYSA-N 1 2 332.492 3.453 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCN(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001100691525 1364220374 /nfs/dbraw/zinc/22/03/74/1364220374.db2.gz RWTIQQHAWXHUDR-HIFRSBDPSA-N 1 2 330.476 3.063 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCCN(CC)c1nc(C)[nH+]c2c1CCCC2 ZINC001100691600 1364220474 /nfs/dbraw/zinc/22/04/74/1364220474.db2.gz URGMXIVHMCUUQO-GJZGRUSLSA-N 1 2 344.503 3.065 20 30 EGEDLO C=CCCC1(C(=O)NC[C@@H]2CCN(c3nc(C)[nH+]c(C)c3C)C2)CC1 ZINC001101056768 1364395108 /nfs/dbraw/zinc/39/51/08/1364395108.db2.gz ZBJBRCMREPVAQX-KRWDZBQOSA-N 1 2 342.487 3.091 20 30 EGEDLO CC#CCCCC(=O)NCCN(c1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001101428034 1364559359 /nfs/dbraw/zinc/55/93/59/1364559359.db2.gz BRNNVICYPVXLAM-UHFFFAOYSA-N 1 2 342.487 3.187 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCN(c1nc(C)[nH+]c(C)c1C)C1CC1 ZINC001101452633 1364569660 /nfs/dbraw/zinc/56/96/60/1364569660.db2.gz WVODZECHJKVDFM-UHFFFAOYSA-N 1 2 330.476 3.089 20 30 EGEDLO C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001101543624 1364608538 /nfs/dbraw/zinc/60/85/38/1364608538.db2.gz SPTIOITUNZRCKH-CYBMUJFWSA-N 1 2 338.389 3.317 20 30 EGEDLO C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001101543624 1364608542 /nfs/dbraw/zinc/60/85/42/1364608542.db2.gz SPTIOITUNZRCKH-CYBMUJFWSA-N 1 2 338.389 3.317 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H](C)CC(C)(C)C)c1nccn12 ZINC001101645118 1364668007 /nfs/dbraw/zinc/66/80/07/1364668007.db2.gz XXTPFBFNOCPNLD-HOTGVXAUSA-N 1 2 344.503 3.103 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](CCCC)C(C)C)c1nccn12 ZINC001101653059 1364674691 /nfs/dbraw/zinc/67/46/91/1364674691.db2.gz ZHMDRMOZKARMSN-DLBZAZTESA-N 1 2 344.503 3.103 20 30 EGEDLO C=CCCOCC(=O)N(C)CCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001101667689 1364681441 /nfs/dbraw/zinc/68/14/41/1364681441.db2.gz OUYQPRIAFIOGAO-UHFFFAOYSA-N 1 2 348.491 3.186 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)N(C)CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001101870495 1364758014 /nfs/dbraw/zinc/75/80/14/1364758014.db2.gz MKGYGDHQEFPTQF-IBGZPJMESA-N 1 2 348.491 3.008 20 30 EGEDLO C#Cc1ccc(C(=O)N(C)CCNc2cc(C)[nH+]c(C(C)C)n2)cc1 ZINC001101884776 1364763105 /nfs/dbraw/zinc/76/31/05/1364763105.db2.gz ZHZCXDWMQYMHOT-UHFFFAOYSA-N 1 2 336.439 3.074 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]c(C2CC2)n1 ZINC001102202391 1364931040 /nfs/dbraw/zinc/93/10/40/1364931040.db2.gz QUPVIGJOMUKSCH-CALCHBBNSA-N 1 2 340.471 3.198 20 30 EGEDLO C#CCCCCCC(=O)N(CCC)[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102255365 1364969115 /nfs/dbraw/zinc/96/91/15/1364969115.db2.gz JATIQKNIJIJSIP-GOSISDBHSA-N 1 2 342.487 3.186 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([NH2+][C@@H](C)c3nc(C(C)C)no3)C2)CCC1 ZINC001185469301 1387723219 /nfs/dbraw/zinc/72/32/19/1387723219.db2.gz RUQOOEQBTCHURR-LSDHHAIUSA-N 1 2 346.475 3.191 20 30 EGEDLO C=CCCCC(=O)N(C)[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102758194 1365205371 /nfs/dbraw/zinc/20/53/71/1365205371.db2.gz ZVALXZFMMLQAPN-MRXNPFEDSA-N 1 2 328.460 3.056 20 30 EGEDLO C=CC[C@H](C(=O)NC[C@@H](CC)Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC001103110647 1365385293 /nfs/dbraw/zinc/38/52/93/1365385293.db2.gz ACTUHXSUXQLEMK-MSOLQXFVSA-N 1 2 338.455 3.452 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H](CC)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001103206576 1365435356 /nfs/dbraw/zinc/43/53/56/1365435356.db2.gz REPHZRGKSZBQGI-OAHLLOKOSA-N 1 2 330.476 3.327 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001103616501 1365680166 /nfs/dbraw/zinc/68/01/66/1365680166.db2.gz PZNZWSHHEKBNCO-DOTOQJQBSA-N 1 2 330.476 3.428 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC(CCNc2cc[nH+]c(C)n2)CC1 ZINC001103623722 1365685412 /nfs/dbraw/zinc/68/54/12/1365685412.db2.gz QHONGQSQRYCOIE-UHFFFAOYSA-N 1 2 330.476 3.428 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC2(CCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001103829885 1365802951 /nfs/dbraw/zinc/80/29/51/1365802951.db2.gz FESMPOSCSJKQCP-QGZVFWFLSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104100143 1365910863 /nfs/dbraw/zinc/91/08/63/1365910863.db2.gz YCZKVXIATHMPIT-CQSZACIVSA-N 1 2 344.503 3.430 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001104152014 1365928105 /nfs/dbraw/zinc/92/81/05/1365928105.db2.gz XZZICRXEUNDEIM-CYBMUJFWSA-N 1 2 330.476 3.429 20 30 EGEDLO C=C1CCC(C(=O)NCC2(Nc3cc[nH+]c(C)n3)CCCC2)CC1 ZINC001104429478 1366024650 /nfs/dbraw/zinc/02/46/50/1366024650.db2.gz PDKGTEZKYJBJII-UHFFFAOYSA-N 1 2 328.460 3.372 20 30 EGEDLO C=CC(C)(C)C(=O)N(C)[C@@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104766635 1366163337 /nfs/dbraw/zinc/16/33/37/1366163337.db2.gz OHUFMLIQBNCGBI-ZDUSSCGKSA-N 1 2 330.476 3.135 20 30 EGEDLO Cc1cc(NC[C@@H](CC(C)C)NC(=O)C#CC(C)C)nc(C2CC2)[nH+]1 ZINC001104942202 1366233838 /nfs/dbraw/zinc/23/38/38/1366233838.db2.gz XBMODRQBPPUNQN-QGZVFWFLSA-N 1 2 342.487 3.265 20 30 EGEDLO C#CCCCC(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@H](C)C1 ZINC001105036347 1366287035 /nfs/dbraw/zinc/28/70/35/1366287035.db2.gz ZJQCYNQPDVOSEF-PBHICJAKSA-N 1 2 340.471 3.115 20 30 EGEDLO C=CCC(C)(C)C(=O)N(C)CCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001105571383 1366538094 /nfs/dbraw/zinc/53/80/94/1366538094.db2.gz FMXMTFZCXJOKAB-UHFFFAOYSA-N 1 2 330.476 3.159 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CCC[C@@H]1CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001105652701 1366560834 /nfs/dbraw/zinc/56/08/34/1366560834.db2.gz UJQYSXNKYCXALL-SJORKVTESA-N 1 2 342.487 3.409 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001105674381 1366566528 /nfs/dbraw/zinc/56/65/28/1366566528.db2.gz DSWNJVZSUGDYKE-IAGOWNOFSA-N 1 2 328.460 3.250 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](C)[C@H](C)C(C)(C)C)CC2)C1 ZINC001105727957 1366587319 /nfs/dbraw/zinc/58/73/19/1366587319.db2.gz IZWPRYADJYDAAM-CVEARBPZSA-N 1 2 336.520 3.183 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@](C)(CC)CCC)CC2)C1 ZINC001105730671 1366587799 /nfs/dbraw/zinc/58/77/99/1366587799.db2.gz SGYURORABDACRH-HXUWFJFHSA-N 1 2 336.520 3.471 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H](CCCC)C(C)C)CC2)C1 ZINC001105734344 1366588965 /nfs/dbraw/zinc/58/89/65/1366588965.db2.gz NDFLGYTZOYCTIN-IBGZPJMESA-N 1 2 336.520 3.327 20 30 EGEDLO C=C[C@@H](CC(=O)N[C@H](C)CCNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001106349725 1366664388 /nfs/dbraw/zinc/66/43/88/1366664388.db2.gz VFUUZOMWOSIORN-WBVHZDCISA-N 1 2 338.455 3.452 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H](C)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001106532151 1366724940 /nfs/dbraw/zinc/72/49/40/1366724940.db2.gz YUIUCUAKFJPKQH-ZDUSSCGKSA-N 1 2 330.476 3.183 20 30 EGEDLO CC#CCCCC(=O)NC/C=C/CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001107459238 1366971670 /nfs/dbraw/zinc/97/16/70/1366971670.db2.gz VNVPPMNBJBEHBQ-MDZDMXLPSA-N 1 2 328.460 3.186 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1F ZINC001109166419 1366985161 /nfs/dbraw/zinc/98/51/61/1366985161.db2.gz QRPRXCNTIPRXFC-NEWSRXKRSA-N 1 2 346.421 3.380 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1F ZINC001109166419 1366985166 /nfs/dbraw/zinc/98/51/66/1366985166.db2.gz QRPRXCNTIPRXFC-NEWSRXKRSA-N 1 2 346.421 3.380 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]([N@H+](C)Cc2coc(-c3cccs3)n2)C1 ZINC001189318906 1366988783 /nfs/dbraw/zinc/98/87/83/1366988783.db2.gz SANYTZRIUBGCKF-HNNXBMFYSA-N 1 2 345.468 3.402 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2coc(-c3cccs3)n2)C1 ZINC001189318906 1366988786 /nfs/dbraw/zinc/98/87/86/1366988786.db2.gz SANYTZRIUBGCKF-HNNXBMFYSA-N 1 2 345.468 3.402 20 30 EGEDLO C[C@H](c1ccc(F)cc1F)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109259377 1367030950 /nfs/dbraw/zinc/03/09/50/1367030950.db2.gz APLYKKCXSHJABF-GEAQGZNASA-N 1 2 344.405 3.161 20 30 EGEDLO C[C@H](c1ccc(F)cc1F)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109259377 1367030956 /nfs/dbraw/zinc/03/09/56/1367030956.db2.gz APLYKKCXSHJABF-GEAQGZNASA-N 1 2 344.405 3.161 20 30 EGEDLO C[C@H](c1c(F)cccc1F)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109259917 1367031327 /nfs/dbraw/zinc/03/13/27/1367031327.db2.gz YUOMXUDBJMFKLW-NMVRNDPTSA-N 1 2 344.405 3.161 20 30 EGEDLO C[C@H](c1c(F)cccc1F)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109259917 1367031331 /nfs/dbraw/zinc/03/13/31/1367031331.db2.gz YUOMXUDBJMFKLW-NMVRNDPTSA-N 1 2 344.405 3.161 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H](C)CN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001109265535 1367033699 /nfs/dbraw/zinc/03/36/99/1367033699.db2.gz SCXVIXRNSANRHD-CQSZACIVSA-N 1 2 344.503 3.207 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(COC)CCCCC1)C2 ZINC001109379076 1367094805 /nfs/dbraw/zinc/09/48/05/1367094805.db2.gz JKAFZVKAUAFYQC-PMPSAXMXSA-N 1 2 340.895 3.057 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(COC)CCCCC1)C2 ZINC001109379076 1367094806 /nfs/dbraw/zinc/09/48/06/1367094806.db2.gz JKAFZVKAUAFYQC-PMPSAXMXSA-N 1 2 340.895 3.057 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)c1ccncc1)C2 ZINC001109445145 1367124809 /nfs/dbraw/zinc/12/48/09/1367124809.db2.gz PDUFPXYNRNMDOZ-VZEFYGNVSA-N 1 2 333.863 3.049 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)c1ccncc1)C2 ZINC001109445145 1367124813 /nfs/dbraw/zinc/12/48/13/1367124813.db2.gz PDUFPXYNRNMDOZ-VZEFYGNVSA-N 1 2 333.863 3.049 20 30 EGEDLO C#CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2c(Cl)cccc2OC)C1 ZINC001189910353 1367129463 /nfs/dbraw/zinc/12/94/63/1367129463.db2.gz NKJLWHVAKYNEOS-HNNXBMFYSA-N 1 2 348.874 3.185 20 30 EGEDLO C#CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2c(Cl)cccc2OC)C1 ZINC001189910353 1367129467 /nfs/dbraw/zinc/12/94/67/1367129467.db2.gz NKJLWHVAKYNEOS-HNNXBMFYSA-N 1 2 348.874 3.185 20 30 EGEDLO C[N@H+](Cc1csc(C2CC2)n1)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190076082 1367165983 /nfs/dbraw/zinc/16/59/83/1367165983.db2.gz JJZYWJGVHYDEJI-MRXNPFEDSA-N 1 2 345.512 3.103 20 30 EGEDLO C[N@@H+](Cc1csc(C2CC2)n1)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190076082 1367165987 /nfs/dbraw/zinc/16/59/87/1367165987.db2.gz JJZYWJGVHYDEJI-MRXNPFEDSA-N 1 2 345.512 3.103 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109592174 1367216822 /nfs/dbraw/zinc/21/68/22/1367216822.db2.gz JXIWALVKZJZCEA-QYZOEREBSA-N 1 2 337.467 3.382 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109592174 1367216823 /nfs/dbraw/zinc/21/68/23/1367216823.db2.gz JXIWALVKZJZCEA-QYZOEREBSA-N 1 2 337.467 3.382 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccncc1Cl ZINC001109601695 1367224184 /nfs/dbraw/zinc/22/41/84/1367224184.db2.gz LOFYKAKTMTVIQZ-KBMXLJTQSA-N 1 2 333.863 3.169 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccncc1Cl ZINC001109601695 1367224194 /nfs/dbraw/zinc/22/41/94/1367224194.db2.gz LOFYKAKTMTVIQZ-KBMXLJTQSA-N 1 2 333.863 3.169 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(C(C)(C)CC)cc2)C1 ZINC001108018829 1367243220 /nfs/dbraw/zinc/24/32/20/1367243220.db2.gz VDWVRWJWPWYFLH-OAQYLSRUSA-N 1 2 344.499 3.381 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(C(C)(C)CC)cc2)C1 ZINC001108018829 1367243223 /nfs/dbraw/zinc/24/32/23/1367243223.db2.gz VDWVRWJWPWYFLH-OAQYLSRUSA-N 1 2 344.499 3.381 20 30 EGEDLO CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CCC1 ZINC001109628521 1367247603 /nfs/dbraw/zinc/24/76/03/1367247603.db2.gz RQGAXENTECNQFK-QYZOEREBSA-N 1 2 337.467 3.360 20 30 EGEDLO CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CCC1 ZINC001109628521 1367247611 /nfs/dbraw/zinc/24/76/11/1367247611.db2.gz RQGAXENTECNQFK-QYZOEREBSA-N 1 2 337.467 3.360 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2noc3c2CCCC3)C1 ZINC001190398304 1367254352 /nfs/dbraw/zinc/25/43/52/1367254352.db2.gz VESDGWNOHRTCLW-HNNXBMFYSA-N 1 2 345.487 3.188 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2noc3c2CCCC3)C1 ZINC001190398304 1367254358 /nfs/dbraw/zinc/25/43/58/1367254358.db2.gz VESDGWNOHRTCLW-HNNXBMFYSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2nnc(CC(C)C)o2)C1 ZINC001190435651 1367265355 /nfs/dbraw/zinc/26/53/55/1367265355.db2.gz IKTKDKUPILVUAL-HOTGVXAUSA-N 1 2 348.491 3.218 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2nnc(CC(C)C)o2)C1 ZINC001190435651 1367265359 /nfs/dbraw/zinc/26/53/59/1367265359.db2.gz IKTKDKUPILVUAL-HOTGVXAUSA-N 1 2 348.491 3.218 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001108072592 1367267905 /nfs/dbraw/zinc/26/79/05/1367267905.db2.gz MQGJLYZQXYPLLA-HIFRSBDPSA-N 1 2 330.476 3.183 20 30 EGEDLO CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109659798 1367268706 /nfs/dbraw/zinc/26/87/06/1367268706.db2.gz GKYFDLAJDXPJFK-NJAFHUGGSA-N 1 2 343.446 3.355 20 30 EGEDLO CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109659798 1367268710 /nfs/dbraw/zinc/26/87/10/1367268710.db2.gz GKYFDLAJDXPJFK-NJAFHUGGSA-N 1 2 343.446 3.355 20 30 EGEDLO C=CCCCC(=O)NC[C@@]1(C)C[N@H+](C/C=C/c2ccccc2)CCO1 ZINC001108168482 1367320598 /nfs/dbraw/zinc/32/05/98/1367320598.db2.gz BENRMGCBILRJAU-ZRFOIIEFSA-N 1 2 342.483 3.263 20 30 EGEDLO C=CCCCC(=O)NC[C@@]1(C)C[N@@H+](C/C=C/c2ccccc2)CCO1 ZINC001108168482 1367320605 /nfs/dbraw/zinc/32/06/05/1367320605.db2.gz BENRMGCBILRJAU-ZRFOIIEFSA-N 1 2 342.483 3.263 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](CC)c2ccc(C)cc2)C1 ZINC001108211352 1367344852 /nfs/dbraw/zinc/34/48/52/1367344852.db2.gz PTEDEFYXJLNAFX-NQIIRXRSSA-N 1 2 344.499 3.272 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](CC)c2ccc(C)cc2)C1 ZINC001108211352 1367344856 /nfs/dbraw/zinc/34/48/56/1367344856.db2.gz PTEDEFYXJLNAFX-NQIIRXRSSA-N 1 2 344.499 3.272 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)CC2CCCCC2)C1 ZINC001108255659 1367365401 /nfs/dbraw/zinc/36/54/01/1367365401.db2.gz IZIXPVPNQSEYEU-AZUAARDMSA-N 1 2 336.520 3.376 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)CC2CCCCC2)C1 ZINC001108255659 1367365405 /nfs/dbraw/zinc/36/54/05/1367365405.db2.gz IZIXPVPNQSEYEU-AZUAARDMSA-N 1 2 336.520 3.376 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)CC2CCCCC2)C1 ZINC001108255957 1367367553 /nfs/dbraw/zinc/36/75/53/1367367553.db2.gz PGOXRVBISWYESU-TZIWHRDSSA-N 1 2 348.531 3.213 20 30 EGEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)CC2CCCCC2)C1 ZINC001108255957 1367367559 /nfs/dbraw/zinc/36/75/59/1367367559.db2.gz PGOXRVBISWYESU-TZIWHRDSSA-N 1 2 348.531 3.213 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)CC(F)(F)F)C2 ZINC001109987653 1367446779 /nfs/dbraw/zinc/44/67/79/1367446779.db2.gz FPQJILVKESROCC-NDBYEHHHSA-N 1 2 338.801 3.439 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)CC(F)(F)F)C2 ZINC001109987653 1367446782 /nfs/dbraw/zinc/44/67/82/1367446782.db2.gz FPQJILVKESROCC-NDBYEHHHSA-N 1 2 338.801 3.439 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@H](CC)C1 ZINC001110032866 1367469534 /nfs/dbraw/zinc/46/95/34/1367469534.db2.gz BAXRKUYWRHVEIP-IAGOWNOFSA-N 1 2 328.460 3.018 20 30 EGEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)CC=C(Cl)Cl)C2)cc1 ZINC001191665962 1367557526 /nfs/dbraw/zinc/55/75/26/1367557526.db2.gz FPWWRHIQQHUMMT-OAHLLOKOSA-N 1 2 337.250 3.133 20 30 EGEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)CC=C(Cl)Cl)C2)cc1 ZINC001191665962 1367557529 /nfs/dbraw/zinc/55/75/29/1367557529.db2.gz FPWWRHIQQHUMMT-OAHLLOKOSA-N 1 2 337.250 3.133 20 30 EGEDLO CC(C)=C(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001191762786 1367579849 /nfs/dbraw/zinc/57/98/49/1367579849.db2.gz FXYKLPAMWGKAFS-LJQANCHMSA-N 1 2 343.446 3.476 20 30 EGEDLO CC(C)=C(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001191762786 1367579853 /nfs/dbraw/zinc/57/98/53/1367579853.db2.gz FXYKLPAMWGKAFS-LJQANCHMSA-N 1 2 343.446 3.476 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001191912853 1367636729 /nfs/dbraw/zinc/63/67/29/1367636729.db2.gz RGLGLHHAGFSRCK-GDBMZVCRSA-N 1 2 331.460 3.187 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001191912853 1367636737 /nfs/dbraw/zinc/63/67/37/1367636737.db2.gz RGLGLHHAGFSRCK-GDBMZVCRSA-N 1 2 331.460 3.187 20 30 EGEDLO CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001108942397 1367674151 /nfs/dbraw/zinc/67/41/51/1367674151.db2.gz PCQBJXANZWHTFP-NJAFHUGGSA-N 1 2 329.419 3.109 20 30 EGEDLO CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001108942397 1367674157 /nfs/dbraw/zinc/67/41/57/1367674157.db2.gz PCQBJXANZWHTFP-NJAFHUGGSA-N 1 2 329.419 3.109 20 30 EGEDLO C=CCC1(C(=O)N[C@H](C)CN(C)c2cc[nH+]c(C)n2)CCCCC1 ZINC001108983449 1367700480 /nfs/dbraw/zinc/70/04/80/1367700480.db2.gz FBDIVUJWMQDENY-OAHLLOKOSA-N 1 2 330.476 3.253 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110447695 1367731893 /nfs/dbraw/zinc/73/18/93/1367731893.db2.gz PRJGWQIQABSFMW-OIISXLGYSA-N 1 2 345.393 3.182 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110447695 1367731896 /nfs/dbraw/zinc/73/18/96/1367731896.db2.gz PRJGWQIQABSFMW-OIISXLGYSA-N 1 2 345.393 3.182 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@]2(C1)CCCN(c1cc[nH+]c(C)n1)C2 ZINC001110458817 1367746648 /nfs/dbraw/zinc/74/66/48/1367746648.db2.gz OZPWOLHWKOTOKU-HXUWFJFHSA-N 1 2 342.487 3.206 20 30 EGEDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110540221 1367819896 /nfs/dbraw/zinc/81/98/96/1367819896.db2.gz ITUWWEDPSLUQMT-SNTIZLKRSA-N 1 2 344.405 3.161 20 30 EGEDLO C[C@H](c1ccc(F)c(F)c1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110540221 1367819901 /nfs/dbraw/zinc/81/99/01/1367819901.db2.gz ITUWWEDPSLUQMT-SNTIZLKRSA-N 1 2 344.405 3.161 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2nc(C)c(C)s2)C1 ZINC001192570545 1367820604 /nfs/dbraw/zinc/82/06/04/1367820604.db2.gz XYLOKWFNMUXUJB-HNNXBMFYSA-N 1 2 335.517 3.395 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2nc(C)c(C)s2)C1 ZINC001192570545 1367820606 /nfs/dbraw/zinc/82/06/06/1367820606.db2.gz XYLOKWFNMUXUJB-HNNXBMFYSA-N 1 2 335.517 3.395 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnc(Cl)c1 ZINC001110543585 1367820804 /nfs/dbraw/zinc/82/08/04/1367820804.db2.gz YJFCGKCLOBALAI-OAGGEKHMSA-N 1 2 345.874 3.006 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnc(Cl)c1 ZINC001110543585 1367820808 /nfs/dbraw/zinc/82/08/08/1367820808.db2.gz YJFCGKCLOBALAI-OAGGEKHMSA-N 1 2 345.874 3.006 20 30 EGEDLO C[C@@H](c1cc(F)ccc1F)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110543380 1367820910 /nfs/dbraw/zinc/82/09/10/1367820910.db2.gz PEFIPACWWUKQGT-PNYIKSMMSA-N 1 2 344.405 3.161 20 30 EGEDLO C[C@@H](c1cc(F)ccc1F)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110543380 1367820914 /nfs/dbraw/zinc/82/09/14/1367820914.db2.gz PEFIPACWWUKQGT-PNYIKSMMSA-N 1 2 344.405 3.161 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001110563046 1367834977 /nfs/dbraw/zinc/83/49/77/1367834977.db2.gz OMKRALLIWOXRIK-INIZCTEOSA-N 1 2 328.460 3.422 20 30 EGEDLO C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001110581607 1367847398 /nfs/dbraw/zinc/84/73/98/1367847398.db2.gz YAPIJARFSPLDEZ-YIYPIFLZSA-N 1 2 336.373 3.355 20 30 EGEDLO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001110581607 1367847405 /nfs/dbraw/zinc/84/74/05/1367847405.db2.gz YAPIJARFSPLDEZ-YIYPIFLZSA-N 1 2 336.373 3.355 20 30 EGEDLO C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)C(F)(F)F)C2 ZINC001110581607 1367847410 /nfs/dbraw/zinc/84/74/10/1367847410.db2.gz YAPIJARFSPLDEZ-YIYPIFLZSA-N 1 2 336.373 3.355 20 30 EGEDLO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)C(F)(F)F)C2 ZINC001110581607 1367847414 /nfs/dbraw/zinc/84/74/14/1367847414.db2.gz YAPIJARFSPLDEZ-YIYPIFLZSA-N 1 2 336.373 3.355 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[C@@H](C)CC)C1 ZINC001193017292 1367923745 /nfs/dbraw/zinc/92/37/45/1367923745.db2.gz LKTGYOJMGYLWDO-GXTWGEPZSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)CC[C@@H](C)CC)C1 ZINC001193017292 1367923749 /nfs/dbraw/zinc/92/37/49/1367923749.db2.gz LKTGYOJMGYLWDO-GXTWGEPZSA-N 1 2 331.298 3.254 20 30 EGEDLO C=CCCCC(=O)N[C@@]1(C)CCN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC001110808306 1368002654 /nfs/dbraw/zinc/00/26/54/1368002654.db2.gz ZNRYPQRGSJEEKT-FQEVSTJZSA-N 1 2 342.487 3.105 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@](C)(CNc3cc[nH+]c(C)n3)C2)CC1 ZINC001110854214 1368035977 /nfs/dbraw/zinc/03/59/77/1368035977.db2.gz XBBLVZUCLJFXEO-SFHVURJKSA-N 1 2 328.460 3.182 20 30 EGEDLO CC[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001110903519 1368077549 /nfs/dbraw/zinc/07/75/49/1368077549.db2.gz MOAPPNWOQSUDAZ-XDNAFOTISA-N 1 2 348.849 3.161 20 30 EGEDLO CC[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001110903519 1368077551 /nfs/dbraw/zinc/07/75/51/1368077551.db2.gz MOAPPNWOQSUDAZ-XDNAFOTISA-N 1 2 348.849 3.161 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001110933035 1368102888 /nfs/dbraw/zinc/10/28/88/1368102888.db2.gz FIIOSLJBHWZULD-YMCQQKJTSA-N 1 2 331.460 3.115 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001110933035 1368102892 /nfs/dbraw/zinc/10/28/92/1368102892.db2.gz FIIOSLJBHWZULD-YMCQQKJTSA-N 1 2 331.460 3.115 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001110933387 1368103257 /nfs/dbraw/zinc/10/32/57/1368103257.db2.gz LEFAXOIABPNMKZ-PILAGYSTSA-N 1 2 331.435 3.045 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1 ZINC001110933387 1368103259 /nfs/dbraw/zinc/10/32/59/1368103259.db2.gz LEFAXOIABPNMKZ-PILAGYSTSA-N 1 2 331.435 3.045 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001110933823 1368104208 /nfs/dbraw/zinc/10/42/08/1368104208.db2.gz RYFDKWFIVAIIJC-MIGQKNRLSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001110933823 1368104210 /nfs/dbraw/zinc/10/42/10/1368104210.db2.gz RYFDKWFIVAIIJC-MIGQKNRLSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC001110954378 1368121315 /nfs/dbraw/zinc/12/13/15/1368121315.db2.gz VATHCIMYVXIHQZ-BEFAXECRSA-N 1 2 330.476 3.110 20 30 EGEDLO C=CCC1(C(=O)N2C[C@H](C)[C@@H](CNc3cc[nH+]c(C)n3)C2)CCCC1 ZINC001111249711 1368217156 /nfs/dbraw/zinc/21/71/56/1368217156.db2.gz MJDSNAHEYNLTIJ-RDJZCZTQSA-N 1 2 342.487 3.428 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3snnc3C)C2)CCCC1 ZINC001194555240 1368285453 /nfs/dbraw/zinc/28/54/53/1368285453.db2.gz KNIPNLZVDBHZJN-HNNXBMFYSA-N 1 2 348.516 3.016 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3snnc3C)C2)CCCC1 ZINC001194555240 1368285455 /nfs/dbraw/zinc/28/54/55/1368285455.db2.gz KNIPNLZVDBHZJN-HNNXBMFYSA-N 1 2 348.516 3.016 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3coc(C)n3)C2)CCCC1 ZINC001194554566 1368285763 /nfs/dbraw/zinc/28/57/63/1368285763.db2.gz CPNJKFGNFOOELK-KRWDZBQOSA-N 1 2 331.460 3.152 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3coc(C)n3)C2)CCCC1 ZINC001194554566 1368285766 /nfs/dbraw/zinc/28/57/66/1368285766.db2.gz CPNJKFGNFOOELK-KRWDZBQOSA-N 1 2 331.460 3.152 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H](CCNc3cc[nH+]c(C)n3)C2)CC1 ZINC001111623486 1368383479 /nfs/dbraw/zinc/38/34/79/1368383479.db2.gz UYLHFWCWULLFFY-MRXNPFEDSA-N 1 2 328.460 3.182 20 30 EGEDLO C=C(C)CCC(=O)NCc1ccccc1CN(C)c1cc[nH+]c(C)n1 ZINC001111626895 1368388374 /nfs/dbraw/zinc/38/83/74/1368388374.db2.gz ZYEBYMPMUNJIBF-UHFFFAOYSA-N 1 2 338.455 3.394 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N[C@H]1CC[C@H](CNc2cc[nH+]c(C)n2)CC1 ZINC001111645260 1368408674 /nfs/dbraw/zinc/40/86/74/1368408674.db2.gz DXRFHFKJIMPDGD-MUIFIZLQSA-N 1 2 330.476 3.330 20 30 EGEDLO CC(C)(C)/C=C/C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001195356782 1368427401 /nfs/dbraw/zinc/42/74/01/1368427401.db2.gz ZPRNOLIUOQULKG-BQYQJAHWSA-N 1 2 343.446 3.334 20 30 EGEDLO CC(C)(C)/C=C/C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001195356782 1368427403 /nfs/dbraw/zinc/42/74/03/1368427403.db2.gz ZPRNOLIUOQULKG-BQYQJAHWSA-N 1 2 343.446 3.334 20 30 EGEDLO CCC(=CC(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1)CC ZINC001195480299 1368443037 /nfs/dbraw/zinc/44/30/37/1368443037.db2.gz BMVSZJCZOXYOBP-UHFFFAOYSA-N 1 2 325.456 3.339 20 30 EGEDLO CCC(=CC(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1)CC ZINC001195480299 1368443041 /nfs/dbraw/zinc/44/30/41/1368443041.db2.gz BMVSZJCZOXYOBP-UHFFFAOYSA-N 1 2 325.456 3.339 20 30 EGEDLO C#CCCCC(=O)NCC1(Nc2cc(C)[nH+]c(C(C)C)n2)CCC1 ZINC001111793066 1368465386 /nfs/dbraw/zinc/46/53/86/1368465386.db2.gz CABIRSXKUDBOJB-UHFFFAOYSA-N 1 2 328.460 3.163 20 30 EGEDLO CC[C@H](C)CC(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001195666697 1368467533 /nfs/dbraw/zinc/46/75/33/1368467533.db2.gz BECKBMNBLJBEOW-HNNXBMFYSA-N 1 2 331.435 3.168 20 30 EGEDLO CC[C@H](C)CC(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001195666697 1368467537 /nfs/dbraw/zinc/46/75/37/1368467537.db2.gz BECKBMNBLJBEOW-HNNXBMFYSA-N 1 2 331.435 3.168 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2OC)CC1 ZINC001195675633 1368470008 /nfs/dbraw/zinc/47/00/08/1368470008.db2.gz WXCCNJWIUNFSCA-UHFFFAOYSA-N 1 2 348.874 3.186 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2OC)CC1 ZINC001195675633 1368470013 /nfs/dbraw/zinc/47/00/13/1368470013.db2.gz WXCCNJWIUNFSCA-UHFFFAOYSA-N 1 2 348.874 3.186 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@@H+](Cc2ccc(Cl)c(OC)c2)CC1 ZINC001195675657 1368470443 /nfs/dbraw/zinc/47/04/43/1368470443.db2.gz XJDONAFFTHKBSC-UHFFFAOYSA-N 1 2 348.874 3.186 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@H+](Cc2ccc(Cl)c(OC)c2)CC1 ZINC001195675657 1368470444 /nfs/dbraw/zinc/47/04/44/1368470444.db2.gz XJDONAFFTHKBSC-UHFFFAOYSA-N 1 2 348.874 3.186 20 30 EGEDLO CC#CCCCC(=O)NCC1(Nc2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001111880475 1368524866 /nfs/dbraw/zinc/52/48/66/1368524866.db2.gz BIGLVDAIHKKXAO-UHFFFAOYSA-N 1 2 340.471 3.307 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001112009338 1368613805 /nfs/dbraw/zinc/61/38/05/1368613805.db2.gz YXUMMUJNABCVRB-KBXCAEBGSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2cc(F)ccc2F)CC1 ZINC001196854118 1368699614 /nfs/dbraw/zinc/69/96/14/1368699614.db2.gz PIWZJGMSBZYEGT-HUUCEWRRSA-N 1 2 336.426 3.457 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2cc(F)ccc2F)CC1 ZINC001196854118 1368699617 /nfs/dbraw/zinc/69/96/17/1368699617.db2.gz PIWZJGMSBZYEGT-HUUCEWRRSA-N 1 2 336.426 3.457 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC(CC)(Nc2cc[nH+]c(C)n2)CC1 ZINC001112210420 1368719543 /nfs/dbraw/zinc/71/95/43/1368719543.db2.gz NANLUOHJHRMTHH-GJZGRUSLSA-N 1 2 330.476 3.426 20 30 EGEDLO N#Cc1ccc(-c2ccc(C(=O)NCCOc3cc[nH+]cc3)o2)cc1 ZINC001197402554 1368806725 /nfs/dbraw/zinc/80/67/25/1368806725.db2.gz DHCVUAFASHSCDR-UHFFFAOYSA-N 1 2 333.347 3.022 20 30 EGEDLO CC[C@H](C)CCC(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001197544880 1368835760 /nfs/dbraw/zinc/83/57/60/1368835760.db2.gz BQVBVRLYQLDCQR-KRWDZBQOSA-N 1 2 327.472 3.419 20 30 EGEDLO CC[C@H](C)CCC(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001197544880 1368835764 /nfs/dbraw/zinc/83/57/64/1368835764.db2.gz BQVBVRLYQLDCQR-KRWDZBQOSA-N 1 2 327.472 3.419 20 30 EGEDLO CC[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001197588495 1368847401 /nfs/dbraw/zinc/84/74/01/1368847401.db2.gz ZKFHMZWPWIAQQB-JKSUJKDBSA-N 1 2 345.462 3.414 20 30 EGEDLO CC[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001197588495 1368847405 /nfs/dbraw/zinc/84/74/05/1368847405.db2.gz ZKFHMZWPWIAQQB-JKSUJKDBSA-N 1 2 345.462 3.414 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001112433265 1368848581 /nfs/dbraw/zinc/84/85/81/1368848581.db2.gz ILPLVIAPLQMYQA-CXAGYDPISA-N 1 2 330.476 3.089 20 30 EGEDLO CC1(CCC(=O)N2CCC[N@H+](Cc3ccc(F)c(C#N)c3)CC2)CC1 ZINC001197668682 1368868707 /nfs/dbraw/zinc/86/87/07/1368868707.db2.gz GGLGDYHMJWXEJI-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO CC1(CCC(=O)N2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)CC2)CC1 ZINC001197668682 1368868714 /nfs/dbraw/zinc/86/87/14/1368868714.db2.gz GGLGDYHMJWXEJI-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO C=CCC(CC=C)C(=O)N(C)[C@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001112628605 1368957753 /nfs/dbraw/zinc/95/77/53/1368957753.db2.gz VOWNPTBWCLZXEV-SFHVURJKSA-N 1 2 342.487 3.371 20 30 EGEDLO C=CCCC1(C(=O)N(C)[C@H]2CCCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC001112631432 1368960752 /nfs/dbraw/zinc/96/07/52/1368960752.db2.gz CKXULUMGUFOKPK-KRWDZBQOSA-N 1 2 342.487 3.349 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@@H]([C@@H]2CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001112811483 1369022986 /nfs/dbraw/zinc/02/29/86/1369022986.db2.gz OSQKWHGFKJFIBQ-QZTJIDSGSA-N 1 2 342.487 3.206 20 30 EGEDLO Cc1cc(NCC2CC(NC(=O)C#CC(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC001112836148 1369035863 /nfs/dbraw/zinc/03/58/63/1369035863.db2.gz BMXUXXQVIQNCGD-UHFFFAOYSA-N 1 2 342.487 3.265 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)c1ccc(C)o1)c1ccccc1OC ZINC001198516055 1369050550 /nfs/dbraw/zinc/05/05/50/1369050550.db2.gz SJKONKMFXGWNPL-OAHLLOKOSA-N 1 2 348.830 3.410 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1CC)c1ccccc1OC ZINC001198908401 1369145834 /nfs/dbraw/zinc/14/58/34/1369145834.db2.gz FFMFBRFQZPMAHD-BMFZPTHFSA-N 1 2 336.863 3.241 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C)c(OC)c2)CC1 ZINC001113229576 1369277642 /nfs/dbraw/zinc/27/76/42/1369277642.db2.gz MPCNJCGRKIATPB-NVXWUHKLSA-N 1 2 330.472 3.106 20 30 EGEDLO CCCCCCC[NH+]1CCN(C(=O)[C@H]2C[C@@H](C)Cc3c[nH]nc32)CC1 ZINC001113257084 1369296350 /nfs/dbraw/zinc/29/63/50/1369296350.db2.gz OZORZWDCJHEDMA-WMZOPIPTSA-N 1 2 346.519 3.190 20 30 EGEDLO C=CCCC1(C(=O)N2CC[NH+](CCO[C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC001113305517 1369333779 /nfs/dbraw/zinc/33/37/79/1369333779.db2.gz SVWNWHJIFABMIK-RTBURBONSA-N 1 2 348.531 3.472 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](CCO[C@@H]3CCCC[C@H]3C)CC2)CCC1 ZINC001113310979 1369337907 /nfs/dbraw/zinc/33/79/07/1369337907.db2.gz WJBSCNGMZRKFBN-RTBURBONSA-N 1 2 348.531 3.472 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC001113390900 1369392292 /nfs/dbraw/zinc/39/22/92/1369392292.db2.gz ZHRYKCYUULZDDW-UHFFFAOYSA-N 1 2 330.472 3.250 20 30 EGEDLO C=CC[C@@H](C(=O)N1CC[NH+](Cc2ncccc2C)CC1)c1ccccc1 ZINC001113662951 1369550899 /nfs/dbraw/zinc/55/08/99/1369550899.db2.gz PXQJJAAWCNVTSD-HXUWFJFHSA-N 1 2 349.478 3.394 20 30 EGEDLO C=C[C@@H](CC(=O)N1CC[NH+](Cc2cnccc2C)CC1)c1ccccc1 ZINC001113666814 1369553891 /nfs/dbraw/zinc/55/38/91/1369553891.db2.gz CDFLKZFNACOCKS-IBGZPJMESA-N 1 2 349.478 3.394 20 30 EGEDLO C=C[C@H](CC(=O)N1CC[NH+](CCOCC(C)C)CC1)c1ccccc1 ZINC001113667311 1369554581 /nfs/dbraw/zinc/55/45/81/1369554581.db2.gz YQLYTYRYDQZTRA-LJQANCHMSA-N 1 2 344.499 3.163 20 30 EGEDLO CCOC(=O)c1ccc2[nH+]ccc(Nc3cc(C#N)ccc3OC)c2c1 ZINC001201581804 1369582166 /nfs/dbraw/zinc/58/21/66/1369582166.db2.gz DKJBUGXLHCXGRQ-UHFFFAOYSA-N 1 2 347.374 3.457 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)CC[C@@H]1C ZINC001114053185 1369706407 /nfs/dbraw/zinc/70/64/07/1369706407.db2.gz WXRBLEGJFFNBCL-BBRMVZONSA-N 1 2 342.487 3.206 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NC1(CNc2cc[nH+]c(C)n2)CCCCC1 ZINC001114176391 1369777149 /nfs/dbraw/zinc/77/71/49/1369777149.db2.gz GNBFAHBKHBBUTR-CABCVRRESA-N 1 2 330.476 3.474 20 30 EGEDLO Cc1c[nH+]c2n1CCC21CCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC001202784892 1369891073 /nfs/dbraw/zinc/89/10/73/1369891073.db2.gz ZBXMJTHIZVLLDQ-UHFFFAOYSA-N 1 2 335.411 3.033 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001114476225 1369965941 /nfs/dbraw/zinc/96/59/41/1369965941.db2.gz CHSHQGQHYBQMKN-DLBZAZTESA-N 1 2 344.503 3.335 20 30 EGEDLO C#CCCCC(=O)N1C[C@H](CNc2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001114685331 1370024098 /nfs/dbraw/zinc/02/40/98/1370024098.db2.gz SUOSDZQVAVUNME-SJORKVTESA-N 1 2 342.487 3.361 20 30 EGEDLO C=CCC(CC=C)C(=O)N1C[C@@H](CNc2cc[nH+]c(C)n2)C[C@@H]1C ZINC001114690510 1370026544 /nfs/dbraw/zinc/02/65/44/1370026544.db2.gz BCKJXTHFXIFAPI-GOEBONIOSA-N 1 2 328.460 3.202 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@@H]([NH2+]CC(F)(F)C(F)F)C12CCC2 ZINC001203280002 1370058712 /nfs/dbraw/zinc/05/87/12/1370058712.db2.gz CNDWOKOXJCYHOZ-GHMZBOCLSA-N 1 2 336.373 3.116 20 30 EGEDLO Cc1cc(NC[C@H]2C[C@H](NC(=O)C#CC(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC001114766563 1370069073 /nfs/dbraw/zinc/06/90/73/1370069073.db2.gz BMXUXXQVIQNCGD-WKILWMFISA-N 1 2 342.487 3.265 20 30 EGEDLO C=C[C@H](C(=O)N[C@H]1C[C@H](CNc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001114771974 1370072591 /nfs/dbraw/zinc/07/25/91/1370072591.db2.gz CYNNTDKAYZHOSH-SZMVWBNQSA-N 1 2 336.439 3.062 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccccc1OCC ZINC001203540505 1370161796 /nfs/dbraw/zinc/16/17/96/1370161796.db2.gz ACTAJXWXLIIDSX-SFHVURJKSA-N 1 2 341.455 3.121 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccccc1OCC ZINC001203540505 1370161798 /nfs/dbraw/zinc/16/17/98/1370161798.db2.gz ACTAJXWXLIIDSX-SFHVURJKSA-N 1 2 341.455 3.121 20 30 EGEDLO C=CCCOCC(=O)N[C@H](C)CCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001114955513 1370176357 /nfs/dbraw/zinc/17/63/57/1370176357.db2.gz NOTMJDDOEGNBDT-OAHLLOKOSA-N 1 2 348.491 3.198 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC(N(C)c2nc(C)[nH+]c(C)c2C)CC1 ZINC001115153426 1370315378 /nfs/dbraw/zinc/31/53/78/1370315378.db2.gz GVOMLKOLRAQNFC-KBPBESRZSA-N 1 2 344.503 3.287 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CCc3cnc(SC)nc3C2)cc1 ZINC001204302152 1370437408 /nfs/dbraw/zinc/43/74/08/1370437408.db2.gz DFCNHMJKICZTGJ-UHFFFAOYSA-N 1 2 327.453 3.322 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CCc3cnc(SC)nc3C2)cc1 ZINC001204302152 1370437412 /nfs/dbraw/zinc/43/74/12/1370437412.db2.gz DFCNHMJKICZTGJ-UHFFFAOYSA-N 1 2 327.453 3.322 20 30 EGEDLO CCCCCCCCOc1ccc(C[N@@H+]2CCO[C@H](C(N)=O)C2)cc1 ZINC001204313370 1370440985 /nfs/dbraw/zinc/44/09/85/1370440985.db2.gz ZAZOWBCCRQWCFU-IBGZPJMESA-N 1 2 348.487 3.112 20 30 EGEDLO CCCCCCCCOc1ccc(C[N@H+]2CCO[C@H](C(N)=O)C2)cc1 ZINC001204313370 1370440988 /nfs/dbraw/zinc/44/09/88/1370440988.db2.gz ZAZOWBCCRQWCFU-IBGZPJMESA-N 1 2 348.487 3.112 20 30 EGEDLO N#Cc1ccccc1OC1C[NH+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204329198 1370445613 /nfs/dbraw/zinc/44/56/13/1370445613.db2.gz GKBQIJXAUUNSKL-UHFFFAOYSA-N 1 2 333.435 3.422 20 30 EGEDLO CCNc1ccccc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001205081867 1370645125 /nfs/dbraw/zinc/64/51/25/1370645125.db2.gz LIBVZFCBAWRSSP-UHFFFAOYSA-N 1 2 334.467 3.308 20 30 EGEDLO C=CC(C)(C)C(=O)NCC1([NH2+]Cc2noc(C3CC3)n2)CCCCC1 ZINC001115667041 1370647772 /nfs/dbraw/zinc/64/77/72/1370647772.db2.gz NWKCLYWISNMQDI-UHFFFAOYSA-N 1 2 346.475 3.068 20 30 EGEDLO Cc1nc(CO[NH+]=C(N)c2ccc(Br)cc2)c(C)s1 ZINC001116531216 1370931335 /nfs/dbraw/zinc/93/13/35/1370931335.db2.gz GMUHKKQOSNNGND-UHFFFAOYSA-N 1 2 340.246 3.360 20 30 EGEDLO CCCC[C@](C)(F)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001207771508 1371499330 /nfs/dbraw/zinc/49/93/30/1371499330.db2.gz WWFAVIGGAXCDIL-ZTNFWEORSA-N 1 2 345.462 3.413 20 30 EGEDLO CCCC[C@](C)(F)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001207771508 1371499333 /nfs/dbraw/zinc/49/93/33/1371499333.db2.gz WWFAVIGGAXCDIL-ZTNFWEORSA-N 1 2 345.462 3.413 20 30 EGEDLO N#Cc1ccc([C@@H](O)C[NH2+][C@@H](CCc2ccccc2)C(F)F)cc1 ZINC001120508332 1371594586 /nfs/dbraw/zinc/59/45/86/1371594586.db2.gz OQGBCTNBFKRHLI-ROUUACIJSA-N 1 2 330.378 3.448 20 30 EGEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1CC[C@@H](C)c1ccc(C)o1 ZINC001208163842 1371614177 /nfs/dbraw/zinc/61/41/77/1371614177.db2.gz WIISAFNIGPXWGA-PBHICJAKSA-N 1 2 344.459 3.012 20 30 EGEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1CC[C@@H](C)c1ccc(C)o1 ZINC001208163842 1371614180 /nfs/dbraw/zinc/61/41/80/1371614180.db2.gz WIISAFNIGPXWGA-PBHICJAKSA-N 1 2 344.459 3.012 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C[C@@H](C)Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001120613688 1371648913 /nfs/dbraw/zinc/64/89/13/1371648913.db2.gz RYFUORSKAHAAMY-CQSZACIVSA-N 1 2 342.487 3.279 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]([NH2+]Cc2nc(CCCC)no2)C1 ZINC001208239544 1371673542 /nfs/dbraw/zinc/67/35/42/1371673542.db2.gz CFARPTQLAWSQNE-HNNXBMFYSA-N 1 2 348.491 3.095 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]([NH2+]Cc2nc(C3CCC3)no2)C1 ZINC001208240185 1371676140 /nfs/dbraw/zinc/67/61/40/1371676140.db2.gz KFWVLNRROVVTGX-HNNXBMFYSA-N 1 2 346.475 3.020 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nc(C(C)C)no2)C1 ZINC001208245231 1371680522 /nfs/dbraw/zinc/68/05/22/1371680522.db2.gz CYNOUQLJOKVIJK-GJZGRUSLSA-N 1 2 348.491 3.437 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1)OCC ZINC001120679263 1371705945 /nfs/dbraw/zinc/70/59/45/1371705945.db2.gz OWFXJTOJQPLWMN-IAGOWNOFSA-N 1 2 336.863 3.184 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccncc2Cl)C[C@H]1C ZINC001208388698 1371747691 /nfs/dbraw/zinc/74/76/91/1371747691.db2.gz OSXVURHCTQHIFM-JJRVBVJISA-N 1 2 335.879 3.274 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccncc2Cl)C[C@H]1C ZINC001208388698 1371747698 /nfs/dbraw/zinc/74/76/98/1371747698.db2.gz OSXVURHCTQHIFM-JJRVBVJISA-N 1 2 335.879 3.274 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001208509198 1371793829 /nfs/dbraw/zinc/79/38/29/1371793829.db2.gz WFUMYMSDVBONKR-DDUZABMNSA-N 1 2 335.879 3.274 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001208509198 1371793831 /nfs/dbraw/zinc/79/38/31/1371793831.db2.gz WFUMYMSDVBONKR-DDUZABMNSA-N 1 2 335.879 3.274 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2nc3c(o2)CCCC3)C[C@H]1C ZINC001208512139 1371794114 /nfs/dbraw/zinc/79/41/14/1371794114.db2.gz XOEVUZIVRMXEAM-KKVAFCGZSA-N 1 2 345.487 3.092 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2nc3c(o2)CCCC3)C[C@H]1C ZINC001208512139 1371794122 /nfs/dbraw/zinc/79/41/22/1371794122.db2.gz XOEVUZIVRMXEAM-KKVAFCGZSA-N 1 2 345.487 3.092 20 30 EGEDLO CCc1ccc(N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)[nH+]c1 ZINC001120892989 1371797860 /nfs/dbraw/zinc/79/78/60/1371797860.db2.gz VSGJMDZKILJLEB-UHFFFAOYSA-N 1 2 334.423 3.371 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC001209194289 1372033907 /nfs/dbraw/zinc/03/39/07/1372033907.db2.gz MYRULUYKFOKNQA-LSDHHAIUSA-N 1 2 348.491 3.050 20 30 EGEDLO C=CCCCC(=O)NC1CC2(C1)CC([NH2+]CC(F)(F)C(F)F)C2 ZINC001121675456 1372043395 /nfs/dbraw/zinc/04/33/95/1372043395.db2.gz YSSLYCLRWNGYKQ-UHFFFAOYSA-N 1 2 336.373 3.260 20 30 EGEDLO CC[C@@H]1C[C@H](C)CN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CC ZINC001121712292 1372055633 /nfs/dbraw/zinc/05/56/33/1372055633.db2.gz MIRABCDDMCFPHJ-DOTOQJQBSA-N 1 2 344.507 3.016 20 30 EGEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(CC)CC(CC)CC ZINC001121714915 1372057876 /nfs/dbraw/zinc/05/78/76/1372057876.db2.gz JBIVHDCEXCJVHF-UHFFFAOYSA-N 1 2 330.480 3.051 20 30 EGEDLO CCC[C@H](C)N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC ZINC001121801415 1372085833 /nfs/dbraw/zinc/08/58/33/1372085833.db2.gz PVFRCAXZKIGEBE-HNNXBMFYSA-N 1 2 332.496 3.016 20 30 EGEDLO COc1cc(C#N)ccc1Nc1ccccc1C[NH+]1CCN(C)CC1 ZINC001209412097 1372098590 /nfs/dbraw/zinc/09/85/90/1372098590.db2.gz ZJPIRVFGPRMESN-UHFFFAOYSA-N 1 2 336.439 3.058 20 30 EGEDLO N#Cc1ccc(F)c(F)c1Nc1ccccc1C[NH+]1CCOCC1 ZINC001209933621 1372235247 /nfs/dbraw/zinc/23/52/47/1372235247.db2.gz VUIZAHGDKOLYKI-UHFFFAOYSA-N 1 2 329.350 3.412 20 30 EGEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@@H](C)C(C)(C)C1 ZINC001122490901 1372259295 /nfs/dbraw/zinc/25/92/95/1372259295.db2.gz XYUIIPFFJHOGKT-OAHLLOKOSA-N 1 2 342.491 3.051 20 30 EGEDLO N#C[C@H]1C[NH2+]CCN1Cc1ccccc1Oc1ccc(Cl)cc1 ZINC001210122644 1372275209 /nfs/dbraw/zinc/27/52/09/1372275209.db2.gz SIHFILLDPYUDJV-INIZCTEOSA-N 1 2 327.815 3.430 20 30 EGEDLO N#C[C@@H]1C[NH2+]CCN1Cc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC001210121935 1372275731 /nfs/dbraw/zinc/27/57/31/1372275731.db2.gz OBDDXILAEMVIFM-MRXNPFEDSA-N 1 2 327.815 3.430 20 30 EGEDLO C=CCN(c1nnc([C@@H]2CCC[N@H+]2C)n1Cc1cccs1)C1CC1 ZINC001122918043 1372341334 /nfs/dbraw/zinc/34/13/34/1372341334.db2.gz YMVNZKQJRQUOLC-INIZCTEOSA-N 1 2 343.500 3.309 20 30 EGEDLO C=CCN(c1nnc([C@@H]2CCC[N@@H+]2C)n1Cc1cccs1)C1CC1 ZINC001122918043 1372341338 /nfs/dbraw/zinc/34/13/38/1372341338.db2.gz YMVNZKQJRQUOLC-INIZCTEOSA-N 1 2 343.500 3.309 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cnns2)C[C@H]1C ZINC001210547695 1372376344 /nfs/dbraw/zinc/37/63/44/1372376344.db2.gz UFYJNFJTTIJMEN-GDBMZVCRSA-N 1 2 338.521 3.225 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cnns2)C[C@H]1C ZINC001210547695 1372376347 /nfs/dbraw/zinc/37/63/47/1372376347.db2.gz UFYJNFJTTIJMEN-GDBMZVCRSA-N 1 2 338.521 3.225 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)[C@H]1C ZINC001123560706 1372507135 /nfs/dbraw/zinc/50/71/35/1372507135.db2.gz AQFPQMWFLOJSGP-IRXDYDNUSA-N 1 2 342.487 3.185 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001123652791 1372541725 /nfs/dbraw/zinc/54/17/25/1372541725.db2.gz HROFOGVYERMWJI-GDBMZVCRSA-N 1 2 342.487 3.348 20 30 EGEDLO C[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)C1CC1 ZINC001211384059 1372545732 /nfs/dbraw/zinc/54/57/32/1372545732.db2.gz IFOKAVGRUNCVEX-IQUTYRLHSA-N 1 2 343.446 3.070 20 30 EGEDLO C[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)C1CC1 ZINC001211384059 1372545735 /nfs/dbraw/zinc/54/57/35/1372545735.db2.gz IFOKAVGRUNCVEX-IQUTYRLHSA-N 1 2 343.446 3.070 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C(F)(F)F)CCCC2)C1 ZINC001211473204 1372565463 /nfs/dbraw/zinc/56/54/63/1372565463.db2.gz FQFVOMUXAVOBAV-ZYHUDNBSSA-N 1 2 338.801 3.298 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C(F)(F)F)CCCC2)C1 ZINC001211473204 1372565466 /nfs/dbraw/zinc/56/54/66/1372565466.db2.gz FQFVOMUXAVOBAV-ZYHUDNBSSA-N 1 2 338.801 3.298 20 30 EGEDLO C=CCOc1ccc(-c2noc([C@@H]3CC[NH2+]CC3(F)F)n2)c(F)c1 ZINC001211580563 1372584598 /nfs/dbraw/zinc/58/45/98/1372584598.db2.gz RQSBNYBWZOFXCL-LBPRGKRZSA-N 1 2 339.317 3.153 20 30 EGEDLO Cc1ccc2c(Nc3c(C#N)cnc4c(C#N)cnn43)cccc2[nH+]1 ZINC001212796434 1372773357 /nfs/dbraw/zinc/77/33/57/1372773357.db2.gz ZNRJYLUMTZLWNK-UHFFFAOYSA-N 1 2 325.335 3.073 20 30 EGEDLO C#Cc1cccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2F)c1 ZINC001213483541 1372912283 /nfs/dbraw/zinc/91/22/83/1372912283.db2.gz SJRRXQYYQQQYJV-UHFFFAOYSA-N 1 2 340.398 3.262 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCc1cnn2c1C[N@H+](CC/C=C\CC)CC2 ZINC001128463100 1373271863 /nfs/dbraw/zinc/27/18/63/1373271863.db2.gz ANHSEVROERYNIK-JTGQJZMRSA-N 1 2 344.503 3.274 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCc1cnn2c1C[N@@H+](CC/C=C\CC)CC2 ZINC001128463100 1373271865 /nfs/dbraw/zinc/27/18/65/1373271865.db2.gz ANHSEVROERYNIK-JTGQJZMRSA-N 1 2 344.503 3.274 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C[C@@H](CC)C(C)(C)C)c2C1 ZINC001128544932 1373288072 /nfs/dbraw/zinc/28/80/72/1373288072.db2.gz YTQFNCVPKGTTMN-QGZVFWFLSA-N 1 2 346.519 3.353 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C[C@@H](CC)C(C)(C)C)c2C1 ZINC001128544932 1373288079 /nfs/dbraw/zinc/28/80/79/1373288079.db2.gz YTQFNCVPKGTTMN-QGZVFWFLSA-N 1 2 346.519 3.353 20 30 EGEDLO C[C@H](CC(=O)Nc1cccc(C#N)c1Br)n1cc[nH+]c1 ZINC001130067950 1373451952 /nfs/dbraw/zinc/45/19/52/1373451952.db2.gz BXKKYJWKEQRDDQ-SNVBAGLBSA-N 1 2 333.189 3.107 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2csc(CC)n2)C1 ZINC001131976605 1375079511 /nfs/dbraw/zinc/07/95/11/1375079511.db2.gz NFDOOYCSXCAOPA-JKSUJKDBSA-N 1 2 347.528 3.368 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2csc(CC)n2)C1 ZINC001131976605 1375079514 /nfs/dbraw/zinc/07/95/14/1375079514.db2.gz NFDOOYCSXCAOPA-JKSUJKDBSA-N 1 2 347.528 3.368 20 30 EGEDLO CC(C)c1ocnc1C[N@@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@H]1C ZINC001132034061 1375108958 /nfs/dbraw/zinc/10/89/58/1375108958.db2.gz NPJASJZSUZECFV-CVEARBPZSA-N 1 2 345.487 3.317 20 30 EGEDLO CC(C)c1ocnc1C[N@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@H]1C ZINC001132034061 1375108961 /nfs/dbraw/zinc/10/89/61/1375108961.db2.gz NPJASJZSUZECFV-CVEARBPZSA-N 1 2 345.487 3.317 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)on2)C1 ZINC001132056642 1375122090 /nfs/dbraw/zinc/12/20/90/1375122090.db2.gz ARSLCSGBYPRVRV-RHSMWYFYSA-N 1 2 331.460 3.221 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(C)on2)C1 ZINC001132056642 1375122093 /nfs/dbraw/zinc/12/20/93/1375122093.db2.gz ARSLCSGBYPRVRV-RHSMWYFYSA-N 1 2 331.460 3.221 20 30 EGEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(Cl)c(C(F)(F)F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225671816 1375141378 /nfs/dbraw/zinc/14/13/78/1375141378.db2.gz LESVAOUAZQYURO-UBYSCORNSA-N 1 2 333.737 3.350 20 30 EGEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(Cl)c(C(F)(F)F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225671816 1375141382 /nfs/dbraw/zinc/14/13/82/1375141382.db2.gz LESVAOUAZQYURO-UBYSCORNSA-N 1 2 333.737 3.350 20 30 EGEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(SC(F)(F)F)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225793102 1375156883 /nfs/dbraw/zinc/15/68/83/1375156883.db2.gz UXMMONSIFYOVDX-VSSGSJIUSA-N 1 2 331.359 3.290 20 30 EGEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(SC(F)(F)F)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225793102 1375156889 /nfs/dbraw/zinc/15/68/89/1375156889.db2.gz UXMMONSIFYOVDX-VSSGSJIUSA-N 1 2 331.359 3.290 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cccc(Cl)n2)C1 ZINC001132234952 1375229171 /nfs/dbraw/zinc/22/91/71/1375229171.db2.gz HMUYQWQWWOUHGJ-WBVHZDCISA-N 1 2 347.890 3.398 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001132234952 1375229173 /nfs/dbraw/zinc/22/91/73/1375229173.db2.gz HMUYQWQWWOUHGJ-WBVHZDCISA-N 1 2 347.890 3.398 20 30 EGEDLO C/C(=C\C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1)C1CC1 ZINC001226324743 1375240333 /nfs/dbraw/zinc/24/03/33/1375240333.db2.gz AQOXAEDMFJTWPY-GXDHUFHOSA-N 1 2 341.430 3.134 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001132257547 1375250837 /nfs/dbraw/zinc/25/08/37/1375250837.db2.gz XOBYWTTURHKHJP-DLBZAZTESA-N 1 2 332.492 3.289 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001132257547 1375250838 /nfs/dbraw/zinc/25/08/38/1375250838.db2.gz XOBYWTTURHKHJP-DLBZAZTESA-N 1 2 332.492 3.289 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC001226482265 1375266556 /nfs/dbraw/zinc/26/65/56/1375266556.db2.gz ZULZPUVWLMOCIM-HUUCEWRRSA-N 1 2 346.475 3.066 20 30 EGEDLO N#CC1CCC(Oc2ncnc3c2CC[N@H+](Cc2ccccc2)C3)CC1 ZINC001226558324 1375281308 /nfs/dbraw/zinc/28/13/08/1375281308.db2.gz AVFHEVHTBYJMBS-UHFFFAOYSA-N 1 2 348.450 3.496 20 30 EGEDLO N#CC1CCC(Oc2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC001226558324 1375281315 /nfs/dbraw/zinc/28/13/15/1375281315.db2.gz AVFHEVHTBYJMBS-UHFFFAOYSA-N 1 2 348.450 3.496 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)C=C(CC)CC)CC1 ZINC001226876884 1375350501 /nfs/dbraw/zinc/35/05/01/1375350501.db2.gz VCGPHZYRJJJPCL-UHFFFAOYSA-N 1 2 329.282 3.222 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCc2csc(C)n2)CC[C@@H]1C ZINC001132339528 1375317961 /nfs/dbraw/zinc/31/79/61/1375317961.db2.gz HIJSUWXUMOYUAL-GXTWGEPZSA-N 1 2 341.908 3.106 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCc2csc(C)n2)CC[C@@H]1C ZINC001132339528 1375317973 /nfs/dbraw/zinc/31/79/73/1375317973.db2.gz HIJSUWXUMOYUAL-GXTWGEPZSA-N 1 2 341.908 3.106 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)CCC2(C)CC2)CC[C@@H]1C ZINC001132397808 1375352914 /nfs/dbraw/zinc/35/29/14/1375352914.db2.gz WVCIVYRXTIWREC-KBPBESRZSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)CCC2(C)CC2)CC[C@@H]1C ZINC001132397808 1375352920 /nfs/dbraw/zinc/35/29/20/1375352920.db2.gz WVCIVYRXTIWREC-KBPBESRZSA-N 1 2 343.309 3.444 20 30 EGEDLO C#CCCCCCC(=O)NCC[NH2+][C@H](C)c1ncc(C(C)(C)C)o1 ZINC001132407827 1375358890 /nfs/dbraw/zinc/35/88/90/1375358890.db2.gz PFHGAALCSCPJFC-OAHLLOKOSA-N 1 2 333.476 3.323 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCCc2ccccn2)CC[C@H]1C ZINC001132435304 1375379782 /nfs/dbraw/zinc/37/97/82/1375379782.db2.gz BOPYXZGYZDPZNG-NVXWUHKLSA-N 1 2 335.879 3.126 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCCc2ccccn2)CC[C@H]1C ZINC001132435304 1375379786 /nfs/dbraw/zinc/37/97/86/1375379786.db2.gz BOPYXZGYZDPZNG-NVXWUHKLSA-N 1 2 335.879 3.126 20 30 EGEDLO CCCCCCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cnnn2C)C1 ZINC001132437505 1375382389 /nfs/dbraw/zinc/38/23/89/1375382389.db2.gz VNGIYKPOBLOZNI-IRXDYDNUSA-N 1 2 349.523 3.035 20 30 EGEDLO CCCCCCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cnnn2C)C1 ZINC001132437505 1375382393 /nfs/dbraw/zinc/38/23/93/1375382393.db2.gz VNGIYKPOBLOZNI-IRXDYDNUSA-N 1 2 349.523 3.035 20 30 EGEDLO C=CC(C)(C)CC(=O)NC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC001227569987 1375445772 /nfs/dbraw/zinc/44/57/72/1375445772.db2.gz FEYAERVMOQZERA-UHFFFAOYSA-N 1 2 335.517 3.388 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)C2(CC(C)C)CC2)CC1 ZINC001227745459 1375469325 /nfs/dbraw/zinc/46/93/25/1375469325.db2.gz NFDOQDDTOUZFKL-UHFFFAOYSA-N 1 2 343.309 3.302 20 30 EGEDLO COc1cc(F)c(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c(F)c1 ZINC001227896350 1375488526 /nfs/dbraw/zinc/48/85/26/1375488526.db2.gz XCQOFCCMLLNODQ-OAHLLOKOSA-N 1 2 344.361 3.498 20 30 EGEDLO COc1cc(F)c(O[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c(F)c1 ZINC001227896350 1375488530 /nfs/dbraw/zinc/48/85/30/1375488530.db2.gz XCQOFCCMLLNODQ-OAHLLOKOSA-N 1 2 344.361 3.498 20 30 EGEDLO CC#CCCCC(=O)NC1CC[NH+](Cc2ncc(C(C)(C)C)o2)CC1 ZINC001228711939 1375648180 /nfs/dbraw/zinc/64/81/80/1375648180.db2.gz CROYAQBWARIBSY-UHFFFAOYSA-N 1 2 345.487 3.246 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC1CC[NH+](Cc2ncc(C(C)C)o2)CC1 ZINC001228809524 1375683415 /nfs/dbraw/zinc/68/34/15/1375683415.db2.gz JHRVJCDIHCLOOU-HNNXBMFYSA-N 1 2 333.476 3.481 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC1CC[NH+](Cc2nc3c(o2)CCCC3)CC1 ZINC001228810308 1375684630 /nfs/dbraw/zinc/68/46/30/1375684630.db2.gz SIXVTCLNTPOFQK-OAHLLOKOSA-N 1 2 345.487 3.236 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3coc(C4CC4)n3)C[C@H]21 ZINC001188897917 1388404267 /nfs/dbraw/zinc/40/42/67/1388404267.db2.gz ZSPQNJOTOWBRDB-UWWQBHOKSA-N 1 2 343.471 3.187 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](Cc3coc(C4CC4)n3)C[C@H]21 ZINC001188897917 1388404273 /nfs/dbraw/zinc/40/42/73/1388404273.db2.gz ZSPQNJOTOWBRDB-UWWQBHOKSA-N 1 2 343.471 3.187 20 30 EGEDLO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3cnc(Cl)s3)C2)n1 ZINC001230044185 1375934993 /nfs/dbraw/zinc/93/49/93/1375934993.db2.gz XGIPTKNAQHWZIA-LBPRGKRZSA-N 1 2 334.832 3.107 20 30 EGEDLO N#Cc1cccc(O[C@H]2CCC[N@H+](Cc3cnc(Cl)s3)C2)n1 ZINC001230044185 1375935001 /nfs/dbraw/zinc/93/50/01/1375935001.db2.gz XGIPTKNAQHWZIA-LBPRGKRZSA-N 1 2 334.832 3.107 20 30 EGEDLO CC(C)(CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1)CC(F)F ZINC001230581321 1376085319 /nfs/dbraw/zinc/08/53/19/1376085319.db2.gz XWQMITIZBNVXOZ-OAHLLOKOSA-N 1 2 341.446 3.284 20 30 EGEDLO CC(C)(CC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1)CC(F)F ZINC001230581321 1376085334 /nfs/dbraw/zinc/08/53/34/1376085334.db2.gz XWQMITIZBNVXOZ-OAHLLOKOSA-N 1 2 341.446 3.284 20 30 EGEDLO CC(C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001230650829 1376115835 /nfs/dbraw/zinc/11/58/35/1376115835.db2.gz INHITTLJKIVDCG-SFHVURJKSA-N 1 2 332.875 3.270 20 30 EGEDLO CC(C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001230650829 1376115838 /nfs/dbraw/zinc/11/58/38/1376115838.db2.gz INHITTLJKIVDCG-SFHVURJKSA-N 1 2 332.875 3.270 20 30 EGEDLO C=C(Cl)C[N@@H+](CCCNC(=O)C1(C)CCC1)Cc1cccnc1 ZINC001230818205 1376158121 /nfs/dbraw/zinc/15/81/21/1376158121.db2.gz BOYRPCVKFOMSRO-UHFFFAOYSA-N 1 2 335.879 3.333 20 30 EGEDLO C=C(Cl)C[N@H+](CCCNC(=O)C1(C)CCC1)Cc1cccnc1 ZINC001230818205 1376158129 /nfs/dbraw/zinc/15/81/29/1376158129.db2.gz BOYRPCVKFOMSRO-UHFFFAOYSA-N 1 2 335.879 3.333 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C#N)c(Cl)c3)C[C@H]21 ZINC001232119456 1376403269 /nfs/dbraw/zinc/40/32/69/1376403269.db2.gz ZGDXRCFDWNOLIT-GOEBONIOSA-N 1 2 347.846 3.263 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)c(Cl)c3)C[C@H]21 ZINC001232119456 1376403272 /nfs/dbraw/zinc/40/32/72/1376403272.db2.gz ZGDXRCFDWNOLIT-GOEBONIOSA-N 1 2 347.846 3.263 20 30 EGEDLO C#CC[NH+]1CCN(Cc2cc(F)ccc2OCc2ccccc2)CC1 ZINC001232120225 1376404527 /nfs/dbraw/zinc/40/45/27/1376404527.db2.gz KYIVEEBOEKTTNL-UHFFFAOYSA-N 1 2 338.426 3.156 20 30 EGEDLO C[N@H+](Cc1cc(C#N)ccc1O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001232680902 1376501647 /nfs/dbraw/zinc/50/16/47/1376501647.db2.gz IGTQVABBZDPPGR-FQEVSTJZSA-N 1 2 335.451 3.360 20 30 EGEDLO C[N@@H+](Cc1cc(C#N)ccc1O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001232680902 1376501653 /nfs/dbraw/zinc/50/16/53/1376501653.db2.gz IGTQVABBZDPPGR-FQEVSTJZSA-N 1 2 335.451 3.360 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H]1CCc2c1c(F)ccc2F ZINC001233966413 1376745273 /nfs/dbraw/zinc/74/52/73/1376745273.db2.gz LUNNUHSGPHSQIO-KBXCAEBGSA-N 1 2 346.421 3.288 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H]1CCc2c1c(F)ccc2F ZINC001233966413 1376745274 /nfs/dbraw/zinc/74/52/74/1376745274.db2.gz LUNNUHSGPHSQIO-KBXCAEBGSA-N 1 2 346.421 3.288 20 30 EGEDLO N#C[C@@H]1CCCN1Cc1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC001235016783 1376827511 /nfs/dbraw/zinc/82/75/11/1376827511.db2.gz CBPMJQPFALFHAA-ZDUSSCGKSA-N 1 2 331.217 3.123 20 30 EGEDLO CC[N@H+](CCC#N)Cc1ccc(Br)c2nsnc21 ZINC001249716877 1377078425 /nfs/dbraw/zinc/07/84/25/1377078425.db2.gz DFNTVXLOPNSCAN-UHFFFAOYSA-N 1 2 325.235 3.189 20 30 EGEDLO CC[N@@H+](CCC#N)Cc1ccc(Br)c2nsnc21 ZINC001249716877 1377078427 /nfs/dbraw/zinc/07/84/27/1377078427.db2.gz DFNTVXLOPNSCAN-UHFFFAOYSA-N 1 2 325.235 3.189 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCc2cc(F)ccc2F)C1 ZINC001266251387 1377249223 /nfs/dbraw/zinc/24/92/23/1377249223.db2.gz CHOKSRRCJPKUNL-HNNXBMFYSA-N 1 2 342.817 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCc2cc(F)ccc2F)C1 ZINC001266251387 1377249226 /nfs/dbraw/zinc/24/92/26/1377249226.db2.gz CHOKSRRCJPKUNL-HNNXBMFYSA-N 1 2 342.817 3.231 20 30 EGEDLO C[N@H+](CCNC(=O)Cc1cc2ccccc2o1)Cc1ccccc1C#N ZINC001267208923 1377431137 /nfs/dbraw/zinc/43/11/37/1377431137.db2.gz BAUHNGFSAOJJRC-UHFFFAOYSA-N 1 2 347.418 3.095 20 30 EGEDLO C[N@@H+](CCNC(=O)Cc1cc2ccccc2o1)Cc1ccccc1C#N ZINC001267208923 1377431141 /nfs/dbraw/zinc/43/11/41/1377431141.db2.gz BAUHNGFSAOJJRC-UHFFFAOYSA-N 1 2 347.418 3.095 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC001136958262 1377446161 /nfs/dbraw/zinc/44/61/61/1377446161.db2.gz IIURZJHVRXLFAU-CYBMUJFWSA-N 1 2 331.441 3.173 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC001136958262 1377446163 /nfs/dbraw/zinc/44/61/63/1377446163.db2.gz IIURZJHVRXLFAU-CYBMUJFWSA-N 1 2 331.441 3.173 20 30 EGEDLO C=CCOCc1ncn2c1C[N@H+](Cc1cc3ccccc3[nH]1)CCC2 ZINC001137314270 1377516518 /nfs/dbraw/zinc/51/65/18/1377516518.db2.gz BVILNZBVOPFOSM-UHFFFAOYSA-N 1 2 336.439 3.473 20 30 EGEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1cc3ccccc3[nH]1)CCC2 ZINC001137314270 1377516524 /nfs/dbraw/zinc/51/65/24/1377516524.db2.gz BVILNZBVOPFOSM-UHFFFAOYSA-N 1 2 336.439 3.473 20 30 EGEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3c(F)ccc(F)c3F)CC2)nc1 ZINC001137930545 1377647187 /nfs/dbraw/zinc/64/71/87/1377647187.db2.gz SJPWANYQTCCOKL-UHFFFAOYSA-N 1 2 346.356 3.083 20 30 EGEDLO N#Cc1ccc(N2CCC[N@H+](Cc3c(F)ccc(F)c3F)CC2)nc1 ZINC001137930545 1377647188 /nfs/dbraw/zinc/64/71/88/1377647188.db2.gz SJPWANYQTCCOKL-UHFFFAOYSA-N 1 2 346.356 3.083 20 30 EGEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1cnn(Cc3ccccc3)c1)CC2 ZINC001138763350 1377781945 /nfs/dbraw/zinc/78/19/45/1377781945.db2.gz KLVBYCHSWWLMII-UHFFFAOYSA-N 1 2 328.419 3.361 20 30 EGEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1cnn(Cc3ccccc3)c1)CC2 ZINC001138763350 1377781946 /nfs/dbraw/zinc/78/19/46/1377781946.db2.gz KLVBYCHSWWLMII-UHFFFAOYSA-N 1 2 328.419 3.361 20 30 EGEDLO N#CCC1CC[NH+](Cc2ccc(I)o2)CC1 ZINC001138900553 1377800911 /nfs/dbraw/zinc/80/09/11/1377800911.db2.gz QTJARKQOKLDFBV-UHFFFAOYSA-N 1 2 330.169 3.010 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1cc2ccccc2o1 ZINC001139066582 1377823759 /nfs/dbraw/zinc/82/37/59/1377823759.db2.gz YMUKPXABQQARQI-SFHVURJKSA-N 1 2 337.423 3.468 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1cc2ccccc2o1 ZINC001139066582 1377823760 /nfs/dbraw/zinc/82/37/60/1377823760.db2.gz YMUKPXABQQARQI-SFHVURJKSA-N 1 2 337.423 3.468 20 30 EGEDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001139126552 1377834715 /nfs/dbraw/zinc/83/47/15/1377834715.db2.gz JZTFISUTFAEVBN-UHFFFAOYSA-N 1 2 346.386 3.237 20 30 EGEDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001139126552 1377834718 /nfs/dbraw/zinc/83/47/18/1377834718.db2.gz JZTFISUTFAEVBN-UHFFFAOYSA-N 1 2 346.386 3.237 20 30 EGEDLO N#Cc1ccc(Oc2ccc(C[N@@H+]3CCOC[C@H]3C3CC3)cn2)cc1 ZINC001139428283 1377883477 /nfs/dbraw/zinc/88/34/77/1377883477.db2.gz IKBMFCVFWJQQGT-IBGZPJMESA-N 1 2 335.407 3.356 20 30 EGEDLO N#Cc1ccc(Oc2ccc(C[N@H+]3CCOC[C@H]3C3CC3)cn2)cc1 ZINC001139428283 1377883479 /nfs/dbraw/zinc/88/34/79/1377883479.db2.gz IKBMFCVFWJQQGT-IBGZPJMESA-N 1 2 335.407 3.356 20 30 EGEDLO C=CCn1cc(C[N@@H+](C)[C@H]2CN(Cc3ccccc3)CC[C@@H]2C)cn1 ZINC001139771042 1377948908 /nfs/dbraw/zinc/94/89/08/1377948908.db2.gz MDAJOWYGFCCRMP-RXVVDRJESA-N 1 2 338.499 3.412 20 30 EGEDLO C=CCn1cc(C[N@H+](C)[C@H]2CN(Cc3ccccc3)CC[C@@H]2C)cn1 ZINC001139771042 1377948910 /nfs/dbraw/zinc/94/89/10/1377948910.db2.gz MDAJOWYGFCCRMP-RXVVDRJESA-N 1 2 338.499 3.412 20 30 EGEDLO COC(=O)COc1ccc(C[N@H+](CCC#N)Cc2ccccc2)cc1 ZINC001139774401 1377949294 /nfs/dbraw/zinc/94/92/94/1377949294.db2.gz GSRQIOMVHGXYCH-UHFFFAOYSA-N 1 2 338.407 3.154 20 30 EGEDLO COC(=O)COc1ccc(C[N@@H+](CCC#N)Cc2ccccc2)cc1 ZINC001139774401 1377949296 /nfs/dbraw/zinc/94/92/96/1377949296.db2.gz GSRQIOMVHGXYCH-UHFFFAOYSA-N 1 2 338.407 3.154 20 30 EGEDLO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cnc(Cl)nc2)C1 ZINC001139991962 1377988450 /nfs/dbraw/zinc/98/84/50/1377988450.db2.gz MIDDCLKNHHRVJD-OAHLLOKOSA-N 1 2 328.803 3.045 20 30 EGEDLO N#Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2cnc(Cl)nc2)C1 ZINC001139991962 1377988451 /nfs/dbraw/zinc/98/84/51/1377988451.db2.gz MIDDCLKNHHRVJD-OAHLLOKOSA-N 1 2 328.803 3.045 20 30 EGEDLO C#C[C@@H]1CCC[N@@H+](Cc2c(F)cccc2I)C1 ZINC001140091099 1378006122 /nfs/dbraw/zinc/00/61/22/1378006122.db2.gz FCNOCAWYDXJJQY-LLVKDONJSA-N 1 2 343.183 3.276 20 30 EGEDLO C#C[C@@H]1CCC[N@H+](Cc2c(F)cccc2I)C1 ZINC001140091099 1378006124 /nfs/dbraw/zinc/00/61/24/1378006124.db2.gz FCNOCAWYDXJJQY-LLVKDONJSA-N 1 2 343.183 3.276 20 30 EGEDLO CN(C(=O)OC(C)(C)C)C1C[NH+](Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140112952 1378010780 /nfs/dbraw/zinc/01/07/80/1378010780.db2.gz YILPITVEZJRCLQ-UHFFFAOYSA-N 1 2 340.427 3.091 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(C)c(OC)c1 ZINC001140158948 1378022963 /nfs/dbraw/zinc/02/29/63/1378022963.db2.gz LTJZAOGUTURUCD-SFHVURJKSA-N 1 2 341.455 3.039 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(C)c(OC)c1 ZINC001140158948 1378022964 /nfs/dbraw/zinc/02/29/64/1378022964.db2.gz LTJZAOGUTURUCD-SFHVURJKSA-N 1 2 341.455 3.039 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccnn3-c3ccccc3)CC2)cc1 ZINC001140526855 1378077985 /nfs/dbraw/zinc/07/79/85/1378077985.db2.gz BOCZRFQXSXHCMT-UHFFFAOYSA-N 1 2 343.434 3.066 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)cn1 ZINC001140540575 1378081382 /nfs/dbraw/zinc/08/13/82/1378081382.db2.gz BZWCYKFJCIYOPN-UHFFFAOYSA-N 1 2 346.356 3.294 20 30 EGEDLO N#CCCCN1CC[C@]2(CCC[N@H+]2Cc2cc(F)cc(Cl)c2)C1=O ZINC001273176821 1378091557 /nfs/dbraw/zinc/09/15/57/1378091557.db2.gz AFZPOHYEVMTTKR-GOSISDBHSA-N 1 2 349.837 3.350 20 30 EGEDLO N#CCCCN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)cc(Cl)c2)C1=O ZINC001273176821 1378091563 /nfs/dbraw/zinc/09/15/63/1378091563.db2.gz AFZPOHYEVMTTKR-GOSISDBHSA-N 1 2 349.837 3.350 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(F)cc1C ZINC001140780234 1378134536 /nfs/dbraw/zinc/13/45/36/1378134536.db2.gz RZLQZNBXZSVFSD-GOSISDBHSA-N 1 2 329.419 3.170 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(F)cc1C ZINC001140780234 1378134537 /nfs/dbraw/zinc/13/45/37/1378134537.db2.gz RZLQZNBXZSVFSD-GOSISDBHSA-N 1 2 329.419 3.170 20 30 EGEDLO C[N@H+](Cc1sc(N)c(C#N)c1Cl)Cc1ccc2c(c1)OCCO2 ZINC001141108994 1378240785 /nfs/dbraw/zinc/24/07/85/1378240785.db2.gz LDQPDYVSVNWBRT-UHFFFAOYSA-N 1 2 349.843 3.259 20 30 EGEDLO C[N@@H+](Cc1sc(N)c(C#N)c1Cl)Cc1ccc2c(c1)OCCO2 ZINC001141108994 1378240792 /nfs/dbraw/zinc/24/07/92/1378240792.db2.gz LDQPDYVSVNWBRT-UHFFFAOYSA-N 1 2 349.843 3.259 20 30 EGEDLO N#Cc1ccc(Br)cc1C[N@H+]1CCC[C@](F)(CO)CC1 ZINC001141897464 1378390948 /nfs/dbraw/zinc/39/09/48/1378390948.db2.gz SFKWXRHAGHVIIW-OAHLLOKOSA-N 1 2 341.224 3.007 20 30 EGEDLO N#Cc1ccc(Br)cc1C[N@@H+]1CCC[C@](F)(CO)CC1 ZINC001141897464 1378390952 /nfs/dbraw/zinc/39/09/52/1378390952.db2.gz SFKWXRHAGHVIIW-OAHLLOKOSA-N 1 2 341.224 3.007 20 30 EGEDLO N#Cc1ccc(Br)cc1CN1CCC(n2cc[nH+]c2)CC1 ZINC001141905008 1378392345 /nfs/dbraw/zinc/39/23/45/1378392345.db2.gz MMOILLOPXJYNSI-UHFFFAOYSA-N 1 2 345.244 3.354 20 30 EGEDLO N#CCCN1CC[NH+](Cc2ccc(C#Cc3ccccc3)s2)CC1 ZINC001141975613 1378400424 /nfs/dbraw/zinc/40/04/24/1378400424.db2.gz DAMDBQOWKRCVLB-UHFFFAOYSA-N 1 2 335.476 3.179 20 30 EGEDLO N#Cc1ccccc1OC1CC[NH+](Cc2ccc(Cl)nn2)CC1 ZINC001142073442 1378410697 /nfs/dbraw/zinc/41/06/97/1378410697.db2.gz OPTSYZUTFWYPRD-UHFFFAOYSA-N 1 2 328.803 3.045 20 30 EGEDLO C[NH+](C)[C@@H](CNC(=O)C1(C#N)CC1)c1ccc(Cl)cc1Cl ZINC001143185893 1378556044 /nfs/dbraw/zinc/55/60/44/1378556044.db2.gz JGRKZBDUTXQULT-ZDUSSCGKSA-N 1 2 326.227 3.016 20 30 EGEDLO CCC(C)(C)CC(=O)N[C@@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001282715404 1378573924 /nfs/dbraw/zinc/57/39/24/1378573924.db2.gz UTFJFZPRNQYKEG-AWEZNQCLSA-N 1 2 345.462 3.460 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2ccc(F)cc2Cl)C1 ZINC001282734344 1378584000 /nfs/dbraw/zinc/58/40/00/1378584000.db2.gz DHTUAGOFDUWGQU-LLVKDONJSA-N 1 2 345.245 3.211 20 30 EGEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC(NC(=O)C2CCCC2)CC1 ZINC001143726404 1378639441 /nfs/dbraw/zinc/63/94/41/1378639441.db2.gz PFGJQHJLIRCKLL-UHFFFAOYSA-N 1 2 345.874 3.482 20 30 EGEDLO CCCCCCCCCC(=O)N1CC2(C1)CC[N@H+](Cc1cnon1)C2 ZINC001148666459 1379237593 /nfs/dbraw/zinc/23/75/93/1379237593.db2.gz UNKBHLIULAEAPH-UHFFFAOYSA-N 1 2 348.491 3.245 20 30 EGEDLO CCCCCCCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1cnon1)C2 ZINC001148666459 1379237599 /nfs/dbraw/zinc/23/75/99/1379237599.db2.gz UNKBHLIULAEAPH-UHFFFAOYSA-N 1 2 348.491 3.245 20 30 EGEDLO CCCCCCCCC(=O)NCC[NH2+]Cc1noc(-c2ccoc2)n1 ZINC001148722049 1379253174 /nfs/dbraw/zinc/25/31/74/1379253174.db2.gz XGCRDSIIFORPDX-UHFFFAOYSA-N 1 2 348.447 3.286 20 30 EGEDLO CCCCCCCCCC(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001148820703 1379276435 /nfs/dbraw/zinc/27/64/35/1379276435.db2.gz MCRWVPCGZDKFGZ-AWEZNQCLSA-N 1 2 326.510 3.446 20 30 EGEDLO C=CCC1(C(=O)N2CC3(C2)CC[N@@H+](Cc2coc(C)n2)C3)CCCC1 ZINC001148935651 1379300084 /nfs/dbraw/zinc/30/00/84/1379300084.db2.gz RZEDOZUDLKWQRG-UHFFFAOYSA-N 1 2 343.471 3.154 20 30 EGEDLO C=CCC1(C(=O)N2CC3(C2)CC[N@H+](Cc2coc(C)n2)C3)CCCC1 ZINC001148935651 1379300088 /nfs/dbraw/zinc/30/00/88/1379300088.db2.gz RZEDOZUDLKWQRG-UHFFFAOYSA-N 1 2 343.471 3.154 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](CCC)CC(C)C)C1 ZINC001150804180 1379617358 /nfs/dbraw/zinc/61/73/58/1379617358.db2.gz XOXMBVBCHMYJGT-DLBZAZTESA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H](CCC)CC(C)C)C1 ZINC001150804180 1379617360 /nfs/dbraw/zinc/61/73/60/1379617360.db2.gz XOXMBVBCHMYJGT-DLBZAZTESA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)Cc1ccsc1 ZINC001151698198 1379765468 /nfs/dbraw/zinc/76/54/68/1379765468.db2.gz ALDKOLDDULWTLC-GFCCVEGCSA-N 1 2 345.306 3.026 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)Cc1ccsc1 ZINC001151698198 1379765469 /nfs/dbraw/zinc/76/54/69/1379765469.db2.gz ALDKOLDDULWTLC-GFCCVEGCSA-N 1 2 345.306 3.026 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccncc1Cl ZINC001152867505 1379988086 /nfs/dbraw/zinc/98/80/86/1379988086.db2.gz ZKXFPVSOGYXZCS-OAHLLOKOSA-N 1 2 335.879 3.255 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccncc1Cl ZINC001152867505 1379988088 /nfs/dbraw/zinc/98/80/88/1379988088.db2.gz ZKXFPVSOGYXZCS-OAHLLOKOSA-N 1 2 335.879 3.255 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC001154444238 1380279100 /nfs/dbraw/zinc/27/91/00/1380279100.db2.gz ZOYDBXFGYIKPQZ-HGTKMLMNSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC001154444238 1380279101 /nfs/dbraw/zinc/27/91/01/1380279101.db2.gz ZOYDBXFGYIKPQZ-HGTKMLMNSA-N 1 2 343.309 3.158 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1noc2c1CCCC2 ZINC001154719618 1380339374 /nfs/dbraw/zinc/33/93/74/1380339374.db2.gz JBJQVVFSFUQDTE-MRXNPFEDSA-N 1 2 345.487 3.074 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1noc2c1CCCC2 ZINC001154719618 1380339377 /nfs/dbraw/zinc/33/93/77/1380339377.db2.gz JBJQVVFSFUQDTE-MRXNPFEDSA-N 1 2 345.487 3.074 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)c1ccco1 ZINC001155199845 1380423936 /nfs/dbraw/zinc/42/39/36/1380423936.db2.gz KWMJLUJVYHMGAN-CHWSQXEVSA-N 1 2 343.265 3.118 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)c1ccco1 ZINC001155199845 1380423938 /nfs/dbraw/zinc/42/39/38/1380423938.db2.gz KWMJLUJVYHMGAN-CHWSQXEVSA-N 1 2 343.265 3.118 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(F)s1 ZINC001157248794 1380824285 /nfs/dbraw/zinc/82/42/85/1380824285.db2.gz XOCUAHCQVDGEOP-SNVBAGLBSA-N 1 2 349.269 3.236 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(F)s1 ZINC001157248794 1380824291 /nfs/dbraw/zinc/82/42/91/1380824291.db2.gz XOCUAHCQVDGEOP-SNVBAGLBSA-N 1 2 349.269 3.236 20 30 EGEDLO CC(=O)OC[C@H]1CCC2(C1)CCN(c1cc(CC#N)cc[nH+]1)CC2 ZINC001157681363 1381000567 /nfs/dbraw/zinc/00/05/67/1381000567.db2.gz RJONQWJYUBIITJ-KRWDZBQOSA-N 1 2 327.428 3.097 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)C(F)=C(C)C ZINC001157790068 1381033657 /nfs/dbraw/zinc/03/36/57/1381033657.db2.gz GNWXJBPOEFGSRQ-CYBMUJFWSA-N 1 2 347.272 3.471 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C(F)=C(C)C ZINC001157790068 1381033661 /nfs/dbraw/zinc/03/36/61/1381033661.db2.gz GNWXJBPOEFGSRQ-CYBMUJFWSA-N 1 2 347.272 3.471 20 30 EGEDLO Cc1cnc([C@H](C)[N@@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)C)o1 ZINC001157940444 1381076986 /nfs/dbraw/zinc/07/69/86/1381076986.db2.gz ZWDZEKGLKPGPBO-DLBZAZTESA-N 1 2 331.460 3.016 20 30 EGEDLO Cc1cnc([C@H](C)[N@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)C)o1 ZINC001157940444 1381076993 /nfs/dbraw/zinc/07/69/93/1381076993.db2.gz ZWDZEKGLKPGPBO-DLBZAZTESA-N 1 2 331.460 3.016 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@H](C)c1ncccn1 ZINC001158011840 1381102131 /nfs/dbraw/zinc/10/21/31/1381102131.db2.gz REAGBZCEVDKVNF-IAGOWNOFSA-N 1 2 330.476 3.207 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@H](C)c1ncccn1 ZINC001158011840 1381102136 /nfs/dbraw/zinc/10/21/36/1381102136.db2.gz REAGBZCEVDKVNF-IAGOWNOFSA-N 1 2 330.476 3.207 20 30 EGEDLO C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)CC=C(Cl)Cl ZINC001158949266 1381479606 /nfs/dbraw/zinc/47/96/06/1381479606.db2.gz IPPQBDLGGPKOHI-UONOGXRCSA-N 1 2 349.302 3.209 20 30 EGEDLO C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC=C(Cl)Cl ZINC001158949266 1381479611 /nfs/dbraw/zinc/47/96/11/1381479611.db2.gz IPPQBDLGGPKOHI-UONOGXRCSA-N 1 2 349.302 3.209 20 30 EGEDLO CC(C)CC(=O)NCCC1=CC[N@H+](Cc2cc(F)ccc2C#N)CC1 ZINC001159111602 1381598887 /nfs/dbraw/zinc/59/88/87/1381598887.db2.gz RYBXELSZJIAEMC-UHFFFAOYSA-N 1 2 343.446 3.382 20 30 EGEDLO CC(C)CC(=O)NCCC1=CC[N@@H+](Cc2cc(F)ccc2C#N)CC1 ZINC001159111602 1381598902 /nfs/dbraw/zinc/59/89/02/1381598902.db2.gz RYBXELSZJIAEMC-UHFFFAOYSA-N 1 2 343.446 3.382 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@H+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001160242350 1382046831 /nfs/dbraw/zinc/04/68/31/1382046831.db2.gz NUXAAFOXXKJZOU-AWEZNQCLSA-N 1 2 346.475 3.180 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001160242350 1382046834 /nfs/dbraw/zinc/04/68/34/1382046834.db2.gz NUXAAFOXXKJZOU-AWEZNQCLSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@H+](Cc2ccn(CC)n2)CC1 ZINC001160968760 1382256925 /nfs/dbraw/zinc/25/69/25/1382256925.db2.gz XJBAZKCGZUXINE-QGZVFWFLSA-N 1 2 344.503 3.144 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@@H+](Cc2ccn(CC)n2)CC1 ZINC001160968760 1382256928 /nfs/dbraw/zinc/25/69/28/1382256928.db2.gz XJBAZKCGZUXINE-QGZVFWFLSA-N 1 2 344.503 3.144 20 30 EGEDLO COc1ccc(Cn2c[nH+]cc2CNc2ncc(C)cc2C#N)cc1 ZINC001161505123 1382425502 /nfs/dbraw/zinc/42/55/02/1382425502.db2.gz NKVNBRXUBSKZQI-UHFFFAOYSA-N 1 2 333.395 3.127 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCC[NH2+]Cc1noc(C2CCCCC2)n1 ZINC001164223937 1383168005 /nfs/dbraw/zinc/16/80/05/1383168005.db2.gz YIWWFHAATWGSPH-HUUCEWRRSA-N 1 2 348.491 3.171 20 30 EGEDLO CCOC(=O)c1cc2cc[nH+]c(N3CCc4cc(C#N)ccc4C3)c2[nH]1 ZINC001164481772 1383191288 /nfs/dbraw/zinc/19/12/88/1383191288.db2.gz MEJOSYMRDUGPIY-UHFFFAOYSA-N 1 2 346.390 3.174 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12CN(c1cc(C)[nH+]c(C3CC3)n1)CCO2 ZINC001166370664 1383416350 /nfs/dbraw/zinc/41/63/50/1383416350.db2.gz XJFJNNQEECPAFF-YLJYHZDGSA-N 1 2 343.471 3.241 20 30 EGEDLO COc1nc(NCCc2cn3ccccc3[nH+]2)c(C#N)c(C)c1Cl ZINC001169000289 1384083803 /nfs/dbraw/zinc/08/38/03/1384083803.db2.gz KNUXRFIZFRBWQH-UHFFFAOYSA-N 1 2 341.802 3.226 20 30 EGEDLO O=C(C=CNc1c[nH+]c2cc(Br)ccn12)C(F)(F)F ZINC001169475398 1384151860 /nfs/dbraw/zinc/15/18/60/1384151860.db2.gz CLWWLOKCTUIYHH-HNQUOIGGSA-N 1 2 334.095 3.154 20 30 EGEDLO O=C(C=CNc1c(Br)ccc2[nH+]ccn21)C(F)(F)F ZINC001169480345 1384152452 /nfs/dbraw/zinc/15/24/52/1384152452.db2.gz CCYPBVIDUPWQEX-ONEGZZNKSA-N 1 2 334.095 3.154 20 30 EGEDLO COC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1[C@H](C)Cc1cccc(C#N)c1 ZINC001171223341 1384472664 /nfs/dbraw/zinc/47/26/64/1384472664.db2.gz MZDCYCPDGKHGSO-QRWLVFNGSA-N 1 2 334.419 3.089 20 30 EGEDLO COC(=O)[C@@H]1Cc2ccccc2C[N@H+]1[C@H](C)Cc1cccc(C#N)c1 ZINC001171223341 1384472666 /nfs/dbraw/zinc/47/26/66/1384472666.db2.gz MZDCYCPDGKHGSO-QRWLVFNGSA-N 1 2 334.419 3.089 20 30 EGEDLO O=C1C=C2C[N@H+]([C@H]3CCc4cc(F)c(F)c(F)c4C3)CC[C@H]2S1 ZINC001171534060 1384554628 /nfs/dbraw/zinc/55/46/28/1384554628.db2.gz DKMSDVYRQYSBLU-SMDDNHRTSA-N 1 2 339.382 3.235 20 30 EGEDLO O=C1C=C2C[N@@H+]([C@H]3CCc4cc(F)c(F)c(F)c4C3)CC[C@H]2S1 ZINC001171534060 1384554631 /nfs/dbraw/zinc/55/46/31/1384554631.db2.gz DKMSDVYRQYSBLU-SMDDNHRTSA-N 1 2 339.382 3.235 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CCC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001316949591 1384722141 /nfs/dbraw/zinc/72/21/41/1384722141.db2.gz VSEABIYOVBJKSF-HOCLYGCPSA-N 1 2 331.460 3.235 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC001316949591 1384722144 /nfs/dbraw/zinc/72/21/44/1384722144.db2.gz VSEABIYOVBJKSF-HOCLYGCPSA-N 1 2 331.460 3.235 20 30 EGEDLO COC(=O)[C@](C)(Cc1ccccc1)[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172295140 1384762537 /nfs/dbraw/zinc/76/25/37/1384762537.db2.gz AYADBKNQAOIRHV-KKSFZXQISA-N 1 2 336.435 3.253 20 30 EGEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCc2ccc(C)cc2C1 ZINC001172837714 1384862524 /nfs/dbraw/zinc/86/25/24/1384862524.db2.gz MCQCDMDVBQTQHY-LEWJYISDSA-N 1 2 348.446 3.098 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCCC2(F)F)C[C@H]1C#N ZINC001172982579 1384895524 /nfs/dbraw/zinc/89/55/24/1384895524.db2.gz DPXPMPDYJJXFDH-RWMBFGLXSA-N 1 2 329.391 3.055 20 30 EGEDLO CC(C)n1c[nH+]c2cc(Nc3c(C#N)cnc4c(C#N)cnn43)ccc21 ZINC001174381509 1385103722 /nfs/dbraw/zinc/10/37/22/1385103722.db2.gz JBKQGCBFNRDTLZ-UHFFFAOYSA-N 1 2 342.366 3.147 20 30 EGEDLO N#Cc1ccsc1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001174429660 1385107318 /nfs/dbraw/zinc/10/73/18/1385107318.db2.gz BCFOITITXRFJHL-UHFFFAOYSA-N 1 2 329.425 3.074 20 30 EGEDLO N#Cc1c(F)c(Cl)ccc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174980096 1385178292 /nfs/dbraw/zinc/17/82/92/1385178292.db2.gz NTPSHCMZOLYEFI-UHFFFAOYSA-N 1 2 332.766 3.326 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1c[nH]c2ccc(C)cc12)C1CC1 ZINC001317561949 1385341483 /nfs/dbraw/zinc/34/14/83/1385341483.db2.gz QXBRZBJQSTVOOQ-UHFFFAOYSA-N 1 2 331.847 3.423 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1c[nH]c2ccc(C)cc12)C1CC1 ZINC001317561949 1385341487 /nfs/dbraw/zinc/34/14/87/1385341487.db2.gz QXBRZBJQSTVOOQ-UHFFFAOYSA-N 1 2 331.847 3.423 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@H]3OCC[N@@H+](CC=C(C)C)[C@H]3C2)CC1 ZINC001177102540 1385813488 /nfs/dbraw/zinc/81/34/88/1385813488.db2.gz XKRIIMGWDUDFED-ZWKOTPCHSA-N 1 2 332.488 3.001 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@H]3OCC[N@H+](CC=C(C)C)[C@H]3C2)CC1 ZINC001177102540 1385813491 /nfs/dbraw/zinc/81/34/91/1385813491.db2.gz XKRIIMGWDUDFED-ZWKOTPCHSA-N 1 2 332.488 3.001 20 30 EGEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCCC3CCCCC3)C[C@H]21 ZINC001177145241 1385832958 /nfs/dbraw/zinc/83/29/58/1385832958.db2.gz YKQHAYGURSMUFI-WOJBJXKFSA-N 1 2 346.515 3.062 20 30 EGEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCC3CCCCC3)C[C@H]21 ZINC001177145241 1385832961 /nfs/dbraw/zinc/83/29/61/1385832961.db2.gz YKQHAYGURSMUFI-WOJBJXKFSA-N 1 2 346.515 3.062 20 30 EGEDLO C=CCCC(=O)N(CCC[NH2+]Cc1noc(CC)n1)CC1CCCC1 ZINC001177242390 1385882331 /nfs/dbraw/zinc/88/23/31/1385882331.db2.gz MMFBEXZFFRDWDZ-UHFFFAOYSA-N 1 2 348.491 3.097 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2nc(C(C)(C)C)no2)[C@@H]1C ZINC001178805664 1386311336 /nfs/dbraw/zinc/31/13/36/1386311336.db2.gz JMUAGDDLDIPPDM-ILXRZTDVSA-N 1 2 348.491 3.363 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@H](C)c1ccccc1OC ZINC001320073375 1386493529 /nfs/dbraw/zinc/49/35/29/1386493529.db2.gz ZELRJCDBDVJGJZ-AWEZNQCLSA-N 1 2 338.879 3.332 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@H](C)c1ccccc1OC ZINC001320073375 1386493533 /nfs/dbraw/zinc/49/35/33/1386493533.db2.gz ZELRJCDBDVJGJZ-AWEZNQCLSA-N 1 2 338.879 3.332 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCn1ccc2ccccc21 ZINC001320080045 1386497081 /nfs/dbraw/zinc/49/70/81/1386497081.db2.gz FTFPXWADKIQFEF-UHFFFAOYSA-N 1 2 333.863 3.174 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCn1ccc2ccccc21 ZINC001320080045 1386497082 /nfs/dbraw/zinc/49/70/82/1386497082.db2.gz FTFPXWADKIQFEF-UHFFFAOYSA-N 1 2 333.863 3.174 20 30 EGEDLO CN(C)c1cc(COC(=O)c2ccc(C(F)(F)F)cc2C#N)cc[nH+]1 ZINC001320558377 1386649846 /nfs/dbraw/zinc/64/98/46/1386649846.db2.gz XZERPBJQPUSWLL-UHFFFAOYSA-N 1 2 349.312 3.395 20 30 EGEDLO C#CC(C)(C)C(=O)NC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001182638435 1387199347 /nfs/dbraw/zinc/19/93/47/1387199347.db2.gz UKRWDMGGOCKRGS-UHFFFAOYSA-N 1 2 332.447 3.236 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cnn(C2CCCCC2)c1 ZINC001329591761 1389170696 /nfs/dbraw/zinc/17/06/96/1389170696.db2.gz FQGXMIFRBQZDPT-CQSZACIVSA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cnn(C2CCCCC2)c1 ZINC001329591761 1389170701 /nfs/dbraw/zinc/17/07/01/1389170701.db2.gz FQGXMIFRBQZDPT-CQSZACIVSA-N 1 2 338.883 3.191 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(CCC#N)CCC(C)C ZINC001338897085 1389810977 /nfs/dbraw/zinc/81/09/77/1389810977.db2.gz ZZTQUGMOTBLXIB-KRWDZBQOSA-N 1 2 344.507 3.387 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(CCC#N)CCC(C)C ZINC001338897085 1389810979 /nfs/dbraw/zinc/81/09/79/1389810979.db2.gz ZZTQUGMOTBLXIB-KRWDZBQOSA-N 1 2 344.507 3.387 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001339530151 1390057121 /nfs/dbraw/zinc/05/71/21/1390057121.db2.gz XTDKKPLFWPPMCH-IKGGRYGDSA-N 1 2 329.492 3.390 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001339530151 1390057124 /nfs/dbraw/zinc/05/71/24/1390057124.db2.gz XTDKKPLFWPPMCH-IKGGRYGDSA-N 1 2 329.492 3.390 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCc2ccsc2C1 ZINC001340264268 1390260969 /nfs/dbraw/zinc/26/09/69/1390260969.db2.gz NESCLBNGNGXOGF-OAHLLOKOSA-N 1 2 343.500 3.245 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCc2ccsc2C1 ZINC001340264268 1390260971 /nfs/dbraw/zinc/26/09/71/1390260971.db2.gz NESCLBNGNGXOGF-OAHLLOKOSA-N 1 2 343.500 3.245 20 30 EGEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H]1[C@H](C)CCC ZINC001342415441 1390610566 /nfs/dbraw/zinc/61/05/66/1390610566.db2.gz KOGQASPOZMWROY-CVEARBPZSA-N 1 2 342.491 3.193 20 30 EGEDLO C=CC[C@H]1CCCN(c2nnc(Cc3[nH+]ccn3C)n2CC(C)C)C1 ZINC001342953255 1390677149 /nfs/dbraw/zinc/67/71/49/1390677149.db2.gz RPNXQRJTXGHENO-INIZCTEOSA-N 1 2 342.491 3.051 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC(CC#N)CC1 ZINC001342978341 1390680011 /nfs/dbraw/zinc/68/00/11/1390680011.db2.gz JPGKTDOUHBMQFI-KRWDZBQOSA-N 1 2 342.491 3.141 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC(CC#N)CC1 ZINC001342978341 1390680014 /nfs/dbraw/zinc/68/00/14/1390680014.db2.gz JPGKTDOUHBMQFI-KRWDZBQOSA-N 1 2 342.491 3.141 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)[C@@H](C)CCSC ZINC001343547595 1390721876 /nfs/dbraw/zinc/72/18/76/1390721876.db2.gz YGSSVFQVGYYNOV-GJZGRUSLSA-N 1 2 337.537 3.199 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)[C@@H](C)CCSC ZINC001343547595 1390721878 /nfs/dbraw/zinc/72/18/78/1390721878.db2.gz YGSSVFQVGYYNOV-GJZGRUSLSA-N 1 2 337.537 3.199 20 30 EGEDLO N#CCSc1ccccc1C(=O)OCCc1cn2c([nH+]1)CCCC2 ZINC001343657545 1390729245 /nfs/dbraw/zinc/72/92/45/1390729245.db2.gz JLTQGRTYIPQSCJ-UHFFFAOYSA-N 1 2 341.436 3.235 20 30 EGEDLO C=CCN(C)c1nnc([C@H]2CCCC[N@@H+]2C)n1Cc1ccccc1 ZINC001343721415 1390733279 /nfs/dbraw/zinc/73/32/79/1390733279.db2.gz GZADEDPKPRIMMD-QGZVFWFLSA-N 1 2 325.460 3.105 20 30 EGEDLO C=CCN(C)c1nnc([C@H]2CCCC[N@H+]2C)n1Cc1ccccc1 ZINC001343721415 1390733281 /nfs/dbraw/zinc/73/32/81/1390733281.db2.gz GZADEDPKPRIMMD-QGZVFWFLSA-N 1 2 325.460 3.105 20 30 EGEDLO CC[N@H+](C)[C@@H](C(=O)O[C@@H](C)CC#Cc1cccnc1)c1ccccc1 ZINC001345044044 1390832679 /nfs/dbraw/zinc/83/26/79/1390832679.db2.gz AFHHYABRMACZPO-FXAWDEMLSA-N 1 2 336.435 3.448 20 30 EGEDLO CC[N@@H+](C)[C@@H](C(=O)O[C@@H](C)CC#Cc1cccnc1)c1ccccc1 ZINC001345044044 1390832680 /nfs/dbraw/zinc/83/26/80/1390832680.db2.gz AFHHYABRMACZPO-FXAWDEMLSA-N 1 2 336.435 3.448 20 30 EGEDLO C=C(C)CN(CC)c1nnc([C@H]2CCC[N@@H+]2C)n1C[C@H]1CCCCO1 ZINC001347054531 1390997060 /nfs/dbraw/zinc/99/70/60/1390997060.db2.gz JMZSGSIFZINYBE-IAGOWNOFSA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)CN(CC)c1nnc([C@H]2CCC[N@H+]2C)n1C[C@H]1CCCCO1 ZINC001347054531 1390997062 /nfs/dbraw/zinc/99/70/62/1390997062.db2.gz JMZSGSIFZINYBE-IAGOWNOFSA-N 1 2 347.507 3.016 20 30 EGEDLO N#Cc1sccc1C(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001347257212 1391040716 /nfs/dbraw/zinc/04/07/16/1391040716.db2.gz NGPYWZPMGUAVKB-CQSZACIVSA-N 1 2 331.828 3.060 20 30 EGEDLO C[C@@H](C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F)c1cccs1 ZINC001480911877 1393015349 /nfs/dbraw/zinc/01/53/49/1393015349.db2.gz NDYSHFPRNXABGJ-CYBMUJFWSA-N 1 2 345.443 3.111 20 30 EGEDLO C[C@@H](C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F)c1cccs1 ZINC001480911877 1393015354 /nfs/dbraw/zinc/01/53/54/1393015354.db2.gz NDYSHFPRNXABGJ-CYBMUJFWSA-N 1 2 345.443 3.111 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC001481642906 1394429568 /nfs/dbraw/zinc/42/95/68/1394429568.db2.gz QQHLCEYHDGTJAA-LBPRGKRZSA-N 1 2 327.255 3.244 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)COc2cccc(Cl)c2)C1 ZINC001484069703 1395232018 /nfs/dbraw/zinc/23/20/18/1395232018.db2.gz NINVKDDLBUZIEK-INIZCTEOSA-N 1 2 343.254 3.052 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)COc2cccc(Cl)c2)C1 ZINC001484069703 1395232020 /nfs/dbraw/zinc/23/20/20/1395232020.db2.gz NINVKDDLBUZIEK-INIZCTEOSA-N 1 2 343.254 3.052 20 30 EGEDLO CCCC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccccc2C#N)CC1 ZINC001691058012 1404978785 /nfs/dbraw/zinc/97/87/85/1404978785.db2.gz GSEIQJJITDYTGS-SFHVURJKSA-N 1 2 325.456 3.171 20 30 EGEDLO CCCC1(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccccc2C#N)CC1 ZINC001691058012 1404978791 /nfs/dbraw/zinc/97/87/91/1404978791.db2.gz GSEIQJJITDYTGS-SFHVURJKSA-N 1 2 325.456 3.171 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2ccc3c(c2)CCO3)C1 ZINC001691863851 1405582090 /nfs/dbraw/zinc/58/20/90/1405582090.db2.gz CPCVLKFXJWXTCY-QGZVFWFLSA-N 1 2 348.874 3.301 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccc3c(c2)CCO3)C1 ZINC001691863851 1405582092 /nfs/dbraw/zinc/58/20/92/1405582092.db2.gz CPCVLKFXJWXTCY-QGZVFWFLSA-N 1 2 348.874 3.301 20 30 EGEDLO Cc1cscc1C(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001732578892 1428782211 /nfs/dbraw/zinc/78/22/11/1428782211.db2.gz PTWYCZDHGQPOJM-UHFFFAOYSA-N 1 2 327.453 3.132 20 30 EGEDLO Cc1cscc1C(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC001732578892 1428782214 /nfs/dbraw/zinc/78/22/14/1428782214.db2.gz PTWYCZDHGQPOJM-UHFFFAOYSA-N 1 2 327.453 3.132 20 30 EGEDLO CCC1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CCCC1 ZINC001713087499 1417634211 /nfs/dbraw/zinc/63/42/11/1417634211.db2.gz HCINLVPCPLBYMQ-KRWDZBQOSA-N 1 2 343.446 3.358 20 30 EGEDLO CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CCCC1 ZINC001713087499 1417634212 /nfs/dbraw/zinc/63/42/12/1417634212.db2.gz HCINLVPCPLBYMQ-KRWDZBQOSA-N 1 2 343.446 3.358 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cc1coc2cc(C)ccc12 ZINC001713497154 1418208488 /nfs/dbraw/zinc/20/84/88/1418208488.db2.gz WQOYJJWKSLLKGI-UHFFFAOYSA-N 1 2 334.847 3.474 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cc1coc2cc(C)ccc12 ZINC001713497154 1418208491 /nfs/dbraw/zinc/20/84/91/1418208491.db2.gz WQOYJJWKSLLKGI-UHFFFAOYSA-N 1 2 334.847 3.474 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001713791476 1418609340 /nfs/dbraw/zinc/60/93/40/1418609340.db2.gz DCJYKNUGVSOPMM-OAHLLOKOSA-N 1 2 336.863 3.483 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC001713791476 1418609342 /nfs/dbraw/zinc/60/93/42/1418609342.db2.gz DCJYKNUGVSOPMM-OAHLLOKOSA-N 1 2 336.863 3.483 20 30 EGEDLO CC(C)c1occc1C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001714574473 1419309560 /nfs/dbraw/zinc/30/95/60/1419309560.db2.gz UAALQJANEJYOJL-UHFFFAOYSA-N 1 2 343.402 3.276 20 30 EGEDLO CC(C)c1occc1C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001714574473 1419309564 /nfs/dbraw/zinc/30/95/64/1419309564.db2.gz UAALQJANEJYOJL-UHFFFAOYSA-N 1 2 343.402 3.276 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1sc(C2CC2)nc1C ZINC001714582633 1419322886 /nfs/dbraw/zinc/32/28/86/1419322886.db2.gz CWFJFNMBDYMAFR-UHFFFAOYSA-N 1 2 327.881 3.133 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1sc(C2CC2)nc1C ZINC001714582633 1419322882 /nfs/dbraw/zinc/32/28/82/1419322882.db2.gz CWFJFNMBDYMAFR-UHFFFAOYSA-N 1 2 327.881 3.133 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2(c3cccc(F)c3)CCC2)C1 ZINC001714972171 1419707199 /nfs/dbraw/zinc/70/71/99/1419707199.db2.gz OXEBXWQMOFMANB-UHFFFAOYSA-N 1 2 336.838 3.048 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cn1c(C)cc2ccccc21 ZINC001715889838 1420384462 /nfs/dbraw/zinc/38/44/62/1420384462.db2.gz WIDBRRSNNWFOEZ-UHFFFAOYSA-N 1 2 333.863 3.092 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cn1c(C)cc2ccccc21 ZINC001715889838 1420384464 /nfs/dbraw/zinc/38/44/64/1420384464.db2.gz WIDBRRSNNWFOEZ-UHFFFAOYSA-N 1 2 333.863 3.092 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cnn(C2CCCC2)c1C ZINC001722904046 1424228479 /nfs/dbraw/zinc/22/84/79/1424228479.db2.gz DJQSJPWTMSKJAJ-ZDUSSCGKSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cnn(C2CCCC2)c1C ZINC001722904046 1424228486 /nfs/dbraw/zinc/22/84/86/1424228486.db2.gz DJQSJPWTMSKJAJ-ZDUSSCGKSA-N 1 2 338.883 3.109 20 30 EGEDLO C[N@H+](CCNC(=O)C1CCC2(CC2)CC1)Cc1ccccc1C#N ZINC001731778732 1427899108 /nfs/dbraw/zinc/89/91/08/1427899108.db2.gz DFNSUSYFIAKTRW-UHFFFAOYSA-N 1 2 325.456 3.077 20 30 EGEDLO C[N@@H+](CCNC(=O)C1CCC2(CC2)CC1)Cc1ccccc1C#N ZINC001731778732 1427899118 /nfs/dbraw/zinc/89/91/18/1427899118.db2.gz DFNSUSYFIAKTRW-UHFFFAOYSA-N 1 2 325.456 3.077 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1COc2cc(C)c(C)cc21)C1CC1 ZINC001731880283 1428150566 /nfs/dbraw/zinc/15/05/66/1428150566.db2.gz GDONOBNFLPPEPG-QGZVFWFLSA-N 1 2 348.874 3.113 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1COc2cc(C)c(C)cc21)C1CC1 ZINC001731880283 1428150567 /nfs/dbraw/zinc/15/05/67/1428150567.db2.gz GDONOBNFLPPEPG-QGZVFWFLSA-N 1 2 348.874 3.113 20 30 EGEDLO C[N@H+](CCCCC(F)(F)F)CCCNC(=O)C(F)C(F)(F)F ZINC001751979402 1440130449 /nfs/dbraw/zinc/13/04/49/1440130449.db2.gz YCDOCPNKGOAVPA-SECBINFHSA-N 1 2 340.283 3.058 20 30 EGEDLO C[N@@H+](CCCCC(F)(F)F)CCCNC(=O)C(F)C(F)(F)F ZINC001751979402 1440130450 /nfs/dbraw/zinc/13/04/50/1440130450.db2.gz YCDOCPNKGOAVPA-SECBINFHSA-N 1 2 340.283 3.058 20 30 EGEDLO C[N@H+](CCCCC(F)(F)F)CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001751979402 1440130451 /nfs/dbraw/zinc/13/04/51/1440130451.db2.gz YCDOCPNKGOAVPA-SECBINFHSA-N 1 2 340.283 3.058 20 30 EGEDLO C[N@@H+](CCCCC(F)(F)F)CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001751979402 1440130452 /nfs/dbraw/zinc/13/04/52/1440130452.db2.gz YCDOCPNKGOAVPA-SECBINFHSA-N 1 2 340.283 3.058 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2C)C1 ZINC001752321500 1440170428 /nfs/dbraw/zinc/17/04/28/1440170428.db2.gz JTTJNLNMUCISDI-MRXNPFEDSA-N 1 2 340.471 3.010 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2C)C1 ZINC001752321500 1440170429 /nfs/dbraw/zinc/17/04/29/1440170429.db2.gz JTTJNLNMUCISDI-MRXNPFEDSA-N 1 2 340.471 3.010 20 30 EGEDLO CCCN(C(=O)[C@@H](C)C#N)C1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC001752432407 1440178770 /nfs/dbraw/zinc/17/87/70/1440178770.db2.gz STCIECDVAQMXLL-VWLVURMCSA-N 1 2 332.275 3.168 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(C)s2)C1 ZINC001752783878 1440210011 /nfs/dbraw/zinc/21/00/11/1440210011.db2.gz QRXVDHDQWXGCLB-ZFWWWQNUSA-N 1 2 336.505 3.092 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)c2nnc(C)s2)C1 ZINC001752783878 1440210012 /nfs/dbraw/zinc/21/00/12/1440210012.db2.gz QRXVDHDQWXGCLB-ZFWWWQNUSA-N 1 2 336.505 3.092 20 30 EGEDLO C[C@@H]1CC(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)C[C@@H](C)C1 ZINC001753075092 1440290803 /nfs/dbraw/zinc/29/08/03/1440290803.db2.gz ZFBDMDZWSZERMJ-HOTGVXAUSA-N 1 2 327.472 3.179 20 30 EGEDLO C[C@@H]1CC(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)C[C@@H](C)C1 ZINC001753075092 1440290804 /nfs/dbraw/zinc/29/08/04/1440290804.db2.gz ZFBDMDZWSZERMJ-HOTGVXAUSA-N 1 2 327.472 3.179 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccn(C(C)C)n1 ZINC001753109818 1440307986 /nfs/dbraw/zinc/30/79/86/1440307986.db2.gz GQKMHECXZCWQSW-FUHWJXTLSA-N 1 2 332.492 3.147 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccn(C(C)C)n1 ZINC001753109818 1440307987 /nfs/dbraw/zinc/30/79/87/1440307987.db2.gz GQKMHECXZCWQSW-FUHWJXTLSA-N 1 2 332.492 3.147 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)/C=C/C(C)(C)C)C1 ZINC001753430862 1440398328 /nfs/dbraw/zinc/39/83/28/1440398328.db2.gz CYAIRQYGWGRSNI-STMXVASLSA-N 1 2 329.282 3.030 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)/C=C/C(C)(C)C)C1 ZINC001753430862 1440398329 /nfs/dbraw/zinc/39/83/29/1440398329.db2.gz CYAIRQYGWGRSNI-STMXVASLSA-N 1 2 329.282 3.030 20 30 EGEDLO C=CCC1(C(=O)N(C)[C@@H]2CC[N@H+](Cc3coc(C)n3)C2)CCCC1 ZINC001753448958 1440405326 /nfs/dbraw/zinc/40/53/26/1440405326.db2.gz ASINSXGNXOJQGE-QGZVFWFLSA-N 1 2 331.460 3.152 20 30 EGEDLO C=CCC1(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3coc(C)n3)C2)CCCC1 ZINC001753448958 1440405327 /nfs/dbraw/zinc/40/53/27/1440405327.db2.gz ASINSXGNXOJQGE-QGZVFWFLSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)CCCC#CC)C1 ZINC001753458827 1440409514 /nfs/dbraw/zinc/40/95/14/1440409514.db2.gz HYAHFQNLAYTZMH-OAHLLOKOSA-N 1 2 341.293 3.011 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCCC#CC)C1 ZINC001753458827 1440409515 /nfs/dbraw/zinc/40/95/15/1440409515.db2.gz HYAHFQNLAYTZMH-OAHLLOKOSA-N 1 2 341.293 3.011 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H](CC)[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC001753490298 1440419313 /nfs/dbraw/zinc/41/93/13/1440419313.db2.gz SKORHJFOGKHMPX-UONOGXRCSA-N 1 2 348.491 3.269 20 30 EGEDLO C=C(C)CCC(=O)N1CCC2(C[NH+]([C@H](C)c3ncc(C)o3)C2)CC1 ZINC001753673655 1440462773 /nfs/dbraw/zinc/46/27/73/1440462773.db2.gz QTGAPLQHOBROME-MRXNPFEDSA-N 1 2 331.460 3.325 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC2(C[NH+](Cc3nocc3C)C2)CC1 ZINC001753675199 1440463114 /nfs/dbraw/zinc/46/31/14/1440463114.db2.gz VNNDAAQARMGMJW-MRXNPFEDSA-N 1 2 331.460 3.010 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccc(F)cc1Cl)C(=O)C#CC(C)(C)C ZINC001753852442 1440507304 /nfs/dbraw/zinc/50/73/04/1440507304.db2.gz OABVPNHDAJDZOA-UHFFFAOYSA-N 1 2 338.854 3.419 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccc(F)cc1Cl)C(=O)C#CC(C)(C)C ZINC001753852442 1440507305 /nfs/dbraw/zinc/50/73/05/1440507305.db2.gz OABVPNHDAJDZOA-UHFFFAOYSA-N 1 2 338.854 3.419 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@H](C)c1ccc(OC)cc1 ZINC001753869618 1440516658 /nfs/dbraw/zinc/51/66/58/1440516658.db2.gz ZLIJKVRNFJSIIW-AWEZNQCLSA-N 1 2 338.879 3.332 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@H](C)c1ccc(OC)cc1 ZINC001753869618 1440516659 /nfs/dbraw/zinc/51/66/59/1440516659.db2.gz ZLIJKVRNFJSIIW-AWEZNQCLSA-N 1 2 338.879 3.332 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCOc1cc(C)cc(C)c1 ZINC001754311986 1440573672 /nfs/dbraw/zinc/57/36/72/1440573672.db2.gz WHSDHZHSZTXORW-MRXNPFEDSA-N 1 2 338.879 3.261 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCOc1cc(C)cc(C)c1 ZINC001754311986 1440573673 /nfs/dbraw/zinc/57/36/73/1440573673.db2.gz WHSDHZHSZTXORW-MRXNPFEDSA-N 1 2 338.879 3.261 20 30 EGEDLO C#CCN(C(=O)C[C@H](C=C)CC)C1CC[NH+](Cc2coc(C)n2)CC1 ZINC001754640586 1440649049 /nfs/dbraw/zinc/64/90/49/1440649049.db2.gz XJXLIBQFADKPFU-QGZVFWFLSA-N 1 2 343.471 3.012 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(CCC)s1 ZINC001754657370 1440654001 /nfs/dbraw/zinc/65/40/01/1440654001.db2.gz PQZZMLTZDCUNQS-CABCVRRESA-N 1 2 348.516 3.022 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(CCC)s1 ZINC001754657370 1440654002 /nfs/dbraw/zinc/65/40/02/1440654002.db2.gz PQZZMLTZDCUNQS-CABCVRRESA-N 1 2 348.516 3.022 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@]1(C)CCC[N@@H+]([C@H](C)c2nnc(CC)[nH]2)C1 ZINC001754727216 1440676904 /nfs/dbraw/zinc/67/69/04/1440676904.db2.gz KZSLPSHVIGXPIN-DNVCBOLYSA-N 1 2 347.507 3.003 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@]1(C)CCC[N@H+]([C@H](C)c2nnc(CC)[nH]2)C1 ZINC001754727216 1440676905 /nfs/dbraw/zinc/67/69/05/1440676905.db2.gz KZSLPSHVIGXPIN-DNVCBOLYSA-N 1 2 347.507 3.003 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(CC)[nH]2)CC1 ZINC001755024700 1440728030 /nfs/dbraw/zinc/72/80/30/1440728030.db2.gz GNRWIBJWNJOYSO-HUUCEWRRSA-N 1 2 347.507 3.001 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2nnc(CC)[nH]2)CC1 ZINC001755024700 1440728031 /nfs/dbraw/zinc/72/80/31/1440728031.db2.gz GNRWIBJWNJOYSO-HUUCEWRRSA-N 1 2 347.507 3.001 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H](C)c1ccccc1C)O2 ZINC001755057425 1440744053 /nfs/dbraw/zinc/74/40/53/1440744053.db2.gz WPASGJCJFXEYIO-ROUUACIJSA-N 1 2 342.483 3.024 20 30 EGEDLO C=CCCC(=O)N1CCC[C@@H]1C[N@@H+](C)[C@H](C)c1nnc(CC(C)C)o1 ZINC001755188653 1440774151 /nfs/dbraw/zinc/77/41/51/1440774151.db2.gz IGPPSHQCNNNYRG-HZPDHXFCSA-N 1 2 348.491 3.218 20 30 EGEDLO C=CCCC(=O)N1CCC[C@@H]1C[N@H+](C)[C@H](C)c1nnc(CC(C)C)o1 ZINC001755188653 1440774152 /nfs/dbraw/zinc/77/41/52/1440774152.db2.gz IGPPSHQCNNNYRG-HZPDHXFCSA-N 1 2 348.491 3.218 20 30 EGEDLO C=CCCC(=O)N1CCC[C@@H]1C[N@@H+](C)[C@@H](C)c1nc(C(C)C)no1 ZINC001755189863 1440774291 /nfs/dbraw/zinc/77/42/91/1440774291.db2.gz UQCVVDUGNYLJCW-LSDHHAIUSA-N 1 2 334.464 3.143 20 30 EGEDLO C=CCCC(=O)N1CCC[C@@H]1C[N@H+](C)[C@@H](C)c1nc(C(C)C)no1 ZINC001755189863 1440774292 /nfs/dbraw/zinc/77/42/92/1440774292.db2.gz UQCVVDUGNYLJCW-LSDHHAIUSA-N 1 2 334.464 3.143 20 30 EGEDLO C[C@@H](CNC(=O)C1(C)CCCC1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001755310377 1440813350 /nfs/dbraw/zinc/81/33/50/1440813350.db2.gz UKXBNULJPJEJTM-AWEZNQCLSA-N 1 2 331.435 3.214 20 30 EGEDLO C[C@@H](CNC(=O)C1(C)CCCC1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001755310377 1440813351 /nfs/dbraw/zinc/81/33/51/1440813351.db2.gz UKXBNULJPJEJTM-AWEZNQCLSA-N 1 2 331.435 3.214 20 30 EGEDLO C#CCCCC(=O)NC[C@H]1CCCCC[N@H+]1C/C(Cl)=C\Cl ZINC001755364334 1440833597 /nfs/dbraw/zinc/83/35/97/1440833597.db2.gz SVNSZGFLJMTABT-ATGUSINASA-N 1 2 331.287 3.470 20 30 EGEDLO C#CCCCC(=O)NC[C@H]1CCCCC[N@@H+]1C/C(Cl)=C\Cl ZINC001755364334 1440833598 /nfs/dbraw/zinc/83/35/98/1440833598.db2.gz SVNSZGFLJMTABT-ATGUSINASA-N 1 2 331.287 3.470 20 30 EGEDLO C#CCCCCC(=O)N[C@H](C)C1C[NH+](Cc2ccc(F)cc2F)C1 ZINC001755375647 1440838049 /nfs/dbraw/zinc/83/80/49/1440838049.db2.gz YIYVIHQFYOVRAQ-CQSZACIVSA-N 1 2 334.410 3.095 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H](F)CC2CCCCC2)C1 ZINC001755389132 1440841416 /nfs/dbraw/zinc/84/14/16/1440841416.db2.gz PSEPPEVEFVJYBM-CJNGLKHVSA-N 1 2 330.875 3.484 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H](F)CC2CCCCC2)C1 ZINC001755389131 1440841447 /nfs/dbraw/zinc/84/14/47/1440841447.db2.gz PSEPPEVEFVJYBM-BBRMVZONSA-N 1 2 330.875 3.484 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)cc2F)CC1(C)C ZINC001755407473 1440844770 /nfs/dbraw/zinc/84/47/70/1440844770.db2.gz LXOAWRLJPLVECA-QGZVFWFLSA-N 1 2 348.437 3.341 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)cc2F)CC1(C)C ZINC001755407473 1440844771 /nfs/dbraw/zinc/84/47/71/1440844771.db2.gz LXOAWRLJPLVECA-QGZVFWFLSA-N 1 2 348.437 3.341 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H](NC(=O)CCC2(C)CC2)[C@H]1C ZINC001755721089 1440907335 /nfs/dbraw/zinc/90/73/35/1440907335.db2.gz LNLKMTRTBPKUSF-KGLIPLIRSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)CCC2(C)CC2)[C@H]1C ZINC001755721089 1440907336 /nfs/dbraw/zinc/90/73/36/1440907336.db2.gz LNLKMTRTBPKUSF-KGLIPLIRSA-N 1 2 343.309 3.444 20 30 EGEDLO C=CCC(C)(C)C(=O)N1C[C@@H]([NH2+]Cc2nc(C(C)C)no2)C(C)(C)C1 ZINC001755764660 1440915779 /nfs/dbraw/zinc/91/57/79/1440915779.db2.gz XMEIJMWYJJACQC-CQSZACIVSA-N 1 2 348.491 3.122 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)[C@H]1CCO[C@H](CC)C1)C(C)C ZINC001755817713 1440924507 /nfs/dbraw/zinc/92/45/07/1440924507.db2.gz WBGITPBKXFKVMY-JKSUJKDBSA-N 1 2 330.900 3.113 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)[C@H]1CCO[C@H](CC)C1)C(C)C ZINC001755817713 1440924508 /nfs/dbraw/zinc/92/45/08/1440924508.db2.gz WBGITPBKXFKVMY-JKSUJKDBSA-N 1 2 330.900 3.113 20 30 EGEDLO C=CCC1(C(=O)N[C@H](C)C2CC[NH+](Cc3nncs3)CC2)CCC1 ZINC001755844675 1440932755 /nfs/dbraw/zinc/93/27/55/1440932755.db2.gz FRGSXAGWJVTYEA-CQSZACIVSA-N 1 2 348.516 3.001 20 30 EGEDLO Cc1ccc([C@@H](CNc2cccc(F)c2C#N)[NH+]2CCOCC2)cc1 ZINC000052488407 214131560 /nfs/dbraw/zinc/13/15/60/214131560.db2.gz YMZXHFOBYVIPEX-HXUWFJFHSA-N 1 2 339.414 3.491 20 30 EGEDLO Cc1nn(C)c(N2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)c1C#N ZINC000349849720 282270620 /nfs/dbraw/zinc/27/06/20/282270620.db2.gz CVDNEMSGIFSIFE-CQSZACIVSA-N 1 2 343.862 3.137 20 30 EGEDLO N#Cc1c(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cn2ccccc12 ZINC000179517736 233130239 /nfs/dbraw/zinc/13/02/39/233130239.db2.gz SFMGVDUFGDXUGE-OAHLLOKOSA-N 1 2 346.438 3.186 20 30 EGEDLO N#Cc1c(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cn2ccccc12 ZINC000179517736 233130241 /nfs/dbraw/zinc/13/02/41/233130241.db2.gz SFMGVDUFGDXUGE-OAHLLOKOSA-N 1 2 346.438 3.186 20 30 EGEDLO Cc1cc(C(=O)N2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)c(C)o1 ZINC000183946125 235268094 /nfs/dbraw/zinc/26/80/94/235268094.db2.gz BGKGNHSTRCOKTH-OAHLLOKOSA-N 1 2 337.423 3.287 20 30 EGEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000118399982 296225832 /nfs/dbraw/zinc/22/58/32/296225832.db2.gz UQJWKTDYPDKKMI-LBPRGKRZSA-N 1 2 329.341 3.137 20 30 EGEDLO C=CC[N@H+](CCc1ccc2ccccc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000265254770 247342879 /nfs/dbraw/zinc/34/28/79/247342879.db2.gz UIFOQORWFWLZKL-IBGZPJMESA-N 1 2 329.465 3.057 20 30 EGEDLO C=CC[N@@H+](CCc1ccc2ccccc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000265254770 247342882 /nfs/dbraw/zinc/34/28/82/247342882.db2.gz UIFOQORWFWLZKL-IBGZPJMESA-N 1 2 329.465 3.057 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@H+](CCC(=O)c3ccc(F)cc3)CCO2)c1 ZINC000378519958 169134974 /nfs/dbraw/zinc/13/49/74/169134974.db2.gz NRALMNVBUGWVBS-FQEVSTJZSA-N 1 2 338.382 3.344 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCC(=O)c3ccc(F)cc3)CCO2)c1 ZINC000378519958 169134976 /nfs/dbraw/zinc/13/49/76/169134976.db2.gz NRALMNVBUGWVBS-FQEVSTJZSA-N 1 2 338.382 3.344 20 30 EGEDLO N#Cc1c[nH]c(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000095407079 218342935 /nfs/dbraw/zinc/34/29/35/218342935.db2.gz RPWFWVUXHBCCPK-UHFFFAOYSA-N 1 2 331.379 3.338 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC000268673934 252127361 /nfs/dbraw/zinc/12/73/61/252127361.db2.gz KUEQOKVUYQUGQL-UYAOXDASSA-N 1 2 340.398 3.022 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC000268673934 252127366 /nfs/dbraw/zinc/12/73/66/252127366.db2.gz KUEQOKVUYQUGQL-UYAOXDASSA-N 1 2 340.398 3.022 20 30 EGEDLO COc1ccc(C(=O)C2CC[NH+](C[C@@H](C#N)CCC#N)CC2)cc1 ZINC000032900885 258058893 /nfs/dbraw/zinc/05/88/93/258058893.db2.gz MEXYSWUQGYOWHN-OAHLLOKOSA-N 1 2 325.412 3.033 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(c2ccncc2)CC1 ZINC000191650089 533366657 /nfs/dbraw/zinc/36/66/57/533366657.db2.gz XMIUAGMXRAQQFG-IBGZPJMESA-N 1 2 335.407 3.047 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000337860919 141068575 /nfs/dbraw/zinc/06/85/75/141068575.db2.gz BDYWHNQBEZRIAE-SFHVURJKSA-N 1 2 348.381 3.259 20 30 EGEDLO CC(C)OC(=O)Cc1nc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cs1 ZINC000338376333 141111691 /nfs/dbraw/zinc/11/16/91/141111691.db2.gz LUEOBRWMWKLFPV-CYBMUJFWSA-N 1 2 343.452 3.360 20 30 EGEDLO N#Cc1ccccc1COc1cccc(CN2CCn3c[nH+]cc3C2)c1 ZINC000356273978 141333381 /nfs/dbraw/zinc/33/33/81/141333381.db2.gz DNOQSDCJBAHSEH-UHFFFAOYSA-N 1 2 344.418 3.350 20 30 EGEDLO Cc1nc(C)c(C#N)c(SCc2[nH+]ccn2CC(F)(F)F)n1 ZINC000343207935 144194702 /nfs/dbraw/zinc/19/47/02/144194702.db2.gz BKNJYVUSRHCTQX-UHFFFAOYSA-N 1 2 327.335 3.016 20 30 EGEDLO C[C@H]1CC[C@H](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000345512802 144247647 /nfs/dbraw/zinc/24/76/47/144247647.db2.gz VGZAZXQJLBRRNI-LPHOPBHVSA-N 1 2 325.456 3.029 20 30 EGEDLO N#Cc1ccccc1OCC[N@@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000351060468 144253824 /nfs/dbraw/zinc/25/38/24/144253824.db2.gz FFXUOMHDJZKHKW-UHFFFAOYSA-N 1 2 344.418 3.181 20 30 EGEDLO N#Cc1ccccc1OCC[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000351060468 144253825 /nfs/dbraw/zinc/25/38/25/144253825.db2.gz FFXUOMHDJZKHKW-UHFFFAOYSA-N 1 2 344.418 3.181 20 30 EGEDLO N#Cc1ccccc1OCCN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000351060468 144253826 /nfs/dbraw/zinc/25/38/26/144253826.db2.gz FFXUOMHDJZKHKW-UHFFFAOYSA-N 1 2 344.418 3.181 20 30 EGEDLO CCC[N@H+](CC#CCOC)Cc1nnc(-c2ccccc2Cl)o1 ZINC000677818595 549336575 /nfs/dbraw/zinc/33/65/75/549336575.db2.gz CSPGBNDDIQPGTL-UHFFFAOYSA-N 1 2 333.819 3.252 20 30 EGEDLO CCC[N@@H+](CC#CCOC)Cc1nnc(-c2ccccc2Cl)o1 ZINC000677818595 549336579 /nfs/dbraw/zinc/33/65/79/549336579.db2.gz CSPGBNDDIQPGTL-UHFFFAOYSA-N 1 2 333.819 3.252 20 30 EGEDLO COc1ccc([C@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000341210669 155208411 /nfs/dbraw/zinc/20/84/11/155208411.db2.gz MZLUXTVWWRKLEU-ZDUSSCGKSA-N 1 2 334.379 3.468 20 30 EGEDLO N#Cc1ccc(CC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000194871438 153362207 /nfs/dbraw/zinc/36/22/07/153362207.db2.gz GUSYIQRTZAKBSS-UHFFFAOYSA-N 1 2 340.452 3.182 20 30 EGEDLO Cc1noc([C@@H]([NH2+][C@H](C)c2ccc(C#N)cc2)C2CCOCC2)n1 ZINC000345319896 156053904 /nfs/dbraw/zinc/05/39/04/156053904.db2.gz CGBJJKAHSQISMT-PXAZEXFGSA-N 1 2 326.400 3.068 20 30 EGEDLO C[N@H+](CCOc1cccc(C#N)c1)Cc1nccn1Cc1ccccc1 ZINC000111272114 162148741 /nfs/dbraw/zinc/14/87/41/162148741.db2.gz ZZNZCBQPRNFDGS-UHFFFAOYSA-N 1 2 346.434 3.314 20 30 EGEDLO C[N@@H+](CCOc1cccc(C#N)c1)Cc1nccn1Cc1ccccc1 ZINC000111272114 162148746 /nfs/dbraw/zinc/14/87/46/162148746.db2.gz ZZNZCBQPRNFDGS-UHFFFAOYSA-N 1 2 346.434 3.314 20 30 EGEDLO N#Cc1csc(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)c1 ZINC000352147376 165258899 /nfs/dbraw/zinc/25/88/99/165258899.db2.gz MOHLHWXZLGQMEQ-UHFFFAOYSA-N 1 2 342.811 3.389 20 30 EGEDLO Cc1nsc(N2CC[NH+](CCO[C@H]3CCCC[C@H]3C)CC2)c1C#N ZINC000352189652 165274679 /nfs/dbraw/zinc/27/46/79/165274679.db2.gz NTQLOVBBDKKGMG-PBHICJAKSA-N 1 2 348.516 3.041 20 30 EGEDLO Cc1c(C#N)cccc1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000355158145 166119660 /nfs/dbraw/zinc/11/96/60/166119660.db2.gz HFKRQLBLKUGQDQ-UHFFFAOYSA-N 1 2 330.391 3.293 20 30 EGEDLO C[C@@H](CC(C)(C)C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000355370936 166178110 /nfs/dbraw/zinc/17/81/10/166178110.db2.gz NYGDMMFUIXGGCG-INIZCTEOSA-N 1 2 327.472 3.275 20 30 EGEDLO COc1cc(C[NH2+][C@H](C)c2noc(-c3ccccc3)n2)ccc1C#N ZINC000366902103 168154476 /nfs/dbraw/zinc/15/44/76/168154476.db2.gz WSOODGAVENHGEY-CYBMUJFWSA-N 1 2 334.379 3.468 20 30 EGEDLO C[C@@H]1CC(F)(F)CC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000528771853 269850944 /nfs/dbraw/zinc/85/09/44/269850944.db2.gz UYTWMHLHAMUFIS-SNVBAGLBSA-N 1 2 327.762 3.270 20 30 EGEDLO C[C@@H]1CC(F)(F)CC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000528771853 269850945 /nfs/dbraw/zinc/85/09/45/269850945.db2.gz UYTWMHLHAMUFIS-SNVBAGLBSA-N 1 2 327.762 3.270 20 30 EGEDLO C#CCOc1ccccc1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000371462611 270046009 /nfs/dbraw/zinc/04/60/09/270046009.db2.gz DPNZKTDUOFUFTD-NRFANRHFSA-N 1 2 332.403 3.144 20 30 EGEDLO C#CCOc1ccccc1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000371462611 270046011 /nfs/dbraw/zinc/04/60/11/270046011.db2.gz DPNZKTDUOFUFTD-NRFANRHFSA-N 1 2 332.403 3.144 20 30 EGEDLO Cc1c(C#N)c(NCc2cc[nH+]c(N3CCCC3)c2)nc2ccccc12 ZINC000450243527 270052843 /nfs/dbraw/zinc/05/28/43/270052843.db2.gz NWJRYAVAHSXBAH-UHFFFAOYSA-N 1 2 343.434 3.444 20 30 EGEDLO CC(=O)c1ccc(C#N)c(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000273243275 267004346 /nfs/dbraw/zinc/00/43/46/267004346.db2.gz UQGUEJWEAJXDTA-HXUWFJFHSA-N 1 2 349.434 3.074 20 30 EGEDLO CC(=O)c1ccc(C#N)c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000273243275 267004347 /nfs/dbraw/zinc/00/43/47/267004347.db2.gz UQGUEJWEAJXDTA-HXUWFJFHSA-N 1 2 349.434 3.074 20 30 EGEDLO CC[N@H+](Cc1coc(S(C)(=O)=O)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000528357722 267072718 /nfs/dbraw/zinc/07/27/18/267072718.db2.gz KWZQDBOVOGLJLH-CYBMUJFWSA-N 1 2 332.425 3.138 20 30 EGEDLO CC[N@@H+](Cc1coc(S(C)(=O)=O)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000528357722 267072719 /nfs/dbraw/zinc/07/27/19/267072719.db2.gz KWZQDBOVOGLJLH-CYBMUJFWSA-N 1 2 332.425 3.138 20 30 EGEDLO N#Cc1cc2c(nc1N1CCc3c([nH+]cn3-c3ccccc3)C1)CCC2 ZINC000272278800 268024842 /nfs/dbraw/zinc/02/48/42/268024842.db2.gz XYIYRFUIRFOIPY-UHFFFAOYSA-N 1 2 341.418 3.190 20 30 EGEDLO N#Cc1ccc(C[N@@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c(F)c1 ZINC000292261794 268063993 /nfs/dbraw/zinc/06/39/93/268063993.db2.gz RMPJCLBMHRKCMX-UHFFFAOYSA-N 1 2 341.361 3.100 20 30 EGEDLO N#Cc1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c(F)c1 ZINC000292261794 268063998 /nfs/dbraw/zinc/06/39/98/268063998.db2.gz RMPJCLBMHRKCMX-UHFFFAOYSA-N 1 2 341.361 3.100 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1cc(C)c(N(C)C)cc1C#N ZINC000415692251 268080683 /nfs/dbraw/zinc/08/06/83/268080683.db2.gz MDFYMPXSMWZTMJ-UHFFFAOYSA-N 1 2 347.422 3.230 20 30 EGEDLO N#Cc1cc(Br)ccc1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452763911 268174666 /nfs/dbraw/zinc/17/46/66/268174666.db2.gz ZSSMABSKBGIZMT-UHFFFAOYSA-N 1 2 345.200 3.106 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(F)cn3)CC2)c(Cl)c1 ZINC000439442006 268220934 /nfs/dbraw/zinc/22/09/34/268220934.db2.gz RBCCLRUHJMKUID-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO N#Cc1ccc(NC(=O)NCCc2cn3ccccc3[nH+]2)c(Cl)c1 ZINC000426129751 268245477 /nfs/dbraw/zinc/24/54/77/268245477.db2.gz SPVWHVCYNNSBDC-UHFFFAOYSA-N 1 2 339.786 3.224 20 30 EGEDLO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000336836060 278297137 /nfs/dbraw/zinc/29/71/37/278297137.db2.gz KKSVNQXKDVRBBM-LRDDRELGSA-N 1 2 337.261 3.446 20 30 EGEDLO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000336836060 278297139 /nfs/dbraw/zinc/29/71/39/278297139.db2.gz KKSVNQXKDVRBBM-LRDDRELGSA-N 1 2 337.261 3.446 20 30 EGEDLO N#Cc1ccc(C(F)(F)F)c(N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000127458556 279514242 /nfs/dbraw/zinc/51/42/42/279514242.db2.gz XCPSLJYFOWVCOJ-UHFFFAOYSA-N 1 2 332.329 3.299 20 30 EGEDLO Cc1ccc(C#N)cc1OC[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000155266187 307811141 /nfs/dbraw/zinc/81/11/41/307811141.db2.gz FACXQYWDDXDVBW-QGZVFWFLSA-N 1 2 335.407 3.273 20 30 EGEDLO COC(=O)c1cccc(C[NH2+]C(C)(C)c2ncc(C)s2)c1C#N ZINC000544476362 314698595 /nfs/dbraw/zinc/69/85/95/314698595.db2.gz AZUHOQNDHVMWAH-UHFFFAOYSA-N 1 2 329.425 3.135 20 30 EGEDLO CC(C)(C)c1nsc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000547962770 314955285 /nfs/dbraw/zinc/95/52/85/314955285.db2.gz FMLSOBMVMHLNRS-UHFFFAOYSA-N 1 2 341.484 3.029 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3cccnc3)o2)cc1 ZINC000553888615 315287094 /nfs/dbraw/zinc/28/70/94/315287094.db2.gz AANKMHBPTQCKBT-KRWDZBQOSA-N 1 2 331.379 3.340 20 30 EGEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3c3cccnc3)o2)cc1 ZINC000553888615 315287096 /nfs/dbraw/zinc/28/70/96/315287096.db2.gz AANKMHBPTQCKBT-KRWDZBQOSA-N 1 2 331.379 3.340 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c2[nH+]ccn21 ZINC000568727351 316814377 /nfs/dbraw/zinc/81/43/77/316814377.db2.gz BYWMHTZVIMPKMV-DYVFJYSZSA-N 1 2 335.411 3.135 20 30 EGEDLO CC1(C)C[N@H+](CCOc2ccccc2C#N)C[C@@](C)(C(F)(F)F)O1 ZINC000571302355 317181502 /nfs/dbraw/zinc/18/15/02/317181502.db2.gz LFZKZJPYQMIYJM-INIZCTEOSA-N 1 2 342.361 3.369 20 30 EGEDLO CC1(C)C[N@@H+](CCOc2ccccc2C#N)C[C@@](C)(C(F)(F)F)O1 ZINC000571302355 317181508 /nfs/dbraw/zinc/18/15/08/317181508.db2.gz LFZKZJPYQMIYJM-INIZCTEOSA-N 1 2 342.361 3.369 20 30 EGEDLO Cc1csc(NC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)c1C#N ZINC000572733045 317384475 /nfs/dbraw/zinc/38/44/75/317384475.db2.gz XVQTXLAFWNRFLN-LBPRGKRZSA-N 1 2 329.429 3.277 20 30 EGEDLO N#Cc1c(NCc2cc[nH+]c(N3CCCC3)c2)cccc1-n1cccn1 ZINC000577527769 324823482 /nfs/dbraw/zinc/82/34/82/324823482.db2.gz BNAFDINITZEQDE-UHFFFAOYSA-N 1 2 344.422 3.351 20 30 EGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000352098065 457337573 /nfs/dbraw/zinc/33/75/73/457337573.db2.gz ZLPAHTWRNLJAFG-LBPRGKRZSA-N 1 2 333.233 3.226 20 30 EGEDLO CC(C)[C@@H](NC(=O)c1cccc(C#N)c1Br)c1[nH]cc[nH+]1 ZINC000451105079 458464814 /nfs/dbraw/zinc/46/48/14/458464814.db2.gz RUFMUNQYERWPHB-CYBMUJFWSA-N 1 2 347.216 3.171 20 30 EGEDLO CCn1cc(C[N@@H+](C)Cc2ccc(Br)cc2C#N)cn1 ZINC000558096829 459131189 /nfs/dbraw/zinc/13/11/89/459131189.db2.gz QYPZYBPNPZVEDQ-UHFFFAOYSA-N 1 2 333.233 3.169 20 30 EGEDLO C=CCOc1ccccc1CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000264735245 455272199 /nfs/dbraw/zinc/27/21/99/455272199.db2.gz HOYXKKSBAXDNNR-MRXNPFEDSA-N 1 2 340.427 3.064 20 30 EGEDLO C[C@@]1(C#N)CCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000612158232 460554663 /nfs/dbraw/zinc/55/46/63/460554663.db2.gz IPUGNTDSKRMCDX-CJNGLKHVSA-N 1 2 343.254 3.359 20 30 EGEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000612158232 460554670 /nfs/dbraw/zinc/55/46/70/460554670.db2.gz IPUGNTDSKRMCDX-CJNGLKHVSA-N 1 2 343.254 3.359 20 30 EGEDLO Cc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1N1CCOC1=O ZINC000173571705 455308743 /nfs/dbraw/zinc/30/87/43/455308743.db2.gz BJNUODIZSHIZGF-UHFFFAOYSA-N 1 2 347.378 3.083 20 30 EGEDLO N#CCSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000009106553 453241504 /nfs/dbraw/zinc/24/15/04/453241504.db2.gz WCQNJFPAGHTZRO-UHFFFAOYSA-N 1 2 333.848 3.132 20 30 EGEDLO C[C@H](NC(=O)COc1ccc(C#N)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012550955 453371577 /nfs/dbraw/zinc/37/15/77/453371577.db2.gz YRIHVTZTNBKBIN-HNNXBMFYSA-N 1 2 346.390 3.000 20 30 EGEDLO C[C@H]1C[N@H+](Cc2ccccc2C#N)CCN1Cc1ccccc1C#N ZINC000026669565 453803669 /nfs/dbraw/zinc/80/36/69/453803669.db2.gz ARRKLICKXIWGLJ-KRWDZBQOSA-N 1 2 330.435 3.136 20 30 EGEDLO C[C@H]1C[N@@H+](Cc2ccccc2C#N)CCN1Cc1ccccc1C#N ZINC000026669565 453803671 /nfs/dbraw/zinc/80/36/71/453803671.db2.gz ARRKLICKXIWGLJ-KRWDZBQOSA-N 1 2 330.435 3.136 20 30 EGEDLO C[C@H]1CN(Cc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1C#N ZINC000026669565 453803673 /nfs/dbraw/zinc/80/36/73/453803673.db2.gz ARRKLICKXIWGLJ-KRWDZBQOSA-N 1 2 330.435 3.136 20 30 EGEDLO C[C@H]1CN(Cc2ccccc2C#N)CC[N@H+]1Cc1ccccc1C#N ZINC000026669565 453803676 /nfs/dbraw/zinc/80/36/76/453803676.db2.gz ARRKLICKXIWGLJ-KRWDZBQOSA-N 1 2 330.435 3.136 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC[C@@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000028656455 453824196 /nfs/dbraw/zinc/82/41/96/453824196.db2.gz KTQMVXUGTVKERL-CZUORRHYSA-N 1 2 327.819 3.196 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)nc1 ZINC000028740723 453824517 /nfs/dbraw/zinc/82/45/17/453824517.db2.gz QEQIOQHYARKKHR-UHFFFAOYSA-N 1 2 346.356 3.294 20 30 EGEDLO COc1ccccc1C[N@H+](CC(=O)Nc1sccc1C#N)C1CC1 ZINC000053238516 453867419 /nfs/dbraw/zinc/86/74/19/453867419.db2.gz RMOXAPVSOGYXNB-UHFFFAOYSA-N 1 2 341.436 3.231 20 30 EGEDLO COc1ccccc1C[N@@H+](CC(=O)Nc1sccc1C#N)C1CC1 ZINC000053238516 453867421 /nfs/dbraw/zinc/86/74/21/453867421.db2.gz RMOXAPVSOGYXNB-UHFFFAOYSA-N 1 2 341.436 3.231 20 30 EGEDLO N#CCC[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)Cc1ccco1 ZINC000081517871 453880719 /nfs/dbraw/zinc/88/07/19/453880719.db2.gz JPTJGLACKSRYMQ-UHFFFAOYSA-N 1 2 333.338 3.302 20 30 EGEDLO N#CCC[N@H+](CCC(=O)Nc1cc(F)cc(F)c1)Cc1ccco1 ZINC000081517871 453880720 /nfs/dbraw/zinc/88/07/20/453880720.db2.gz JPTJGLACKSRYMQ-UHFFFAOYSA-N 1 2 333.338 3.302 20 30 EGEDLO C#CC[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000032753364 453888350 /nfs/dbraw/zinc/88/83/50/453888350.db2.gz ZJPQFPMCXYPCIU-UHFFFAOYSA-N 1 2 326.390 3.305 20 30 EGEDLO C#CCN1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000032753364 453888353 /nfs/dbraw/zinc/88/83/53/453888353.db2.gz ZJPQFPMCXYPCIU-UHFFFAOYSA-N 1 2 326.390 3.305 20 30 EGEDLO Cc1cccc(CCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000053662812 453891773 /nfs/dbraw/zinc/89/17/73/453891773.db2.gz UEZHIJDPXLTGLJ-UHFFFAOYSA-N 1 2 347.462 3.144 20 30 EGEDLO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1nc(C(C)(C)C)cs1 ZINC000184463034 455384411 /nfs/dbraw/zinc/38/44/11/455384411.db2.gz KYWDLRWQOACIGQ-CYBMUJFWSA-N 1 2 348.516 3.434 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1cccc(NC(C)=O)c1)Cc1ccccc1 ZINC000075676622 453916655 /nfs/dbraw/zinc/91/66/55/453916655.db2.gz AFDCNCYPZOTIHX-UHFFFAOYSA-N 1 2 337.423 3.272 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1cccc(NC(C)=O)c1)Cc1ccccc1 ZINC000075676622 453916657 /nfs/dbraw/zinc/91/66/57/453916657.db2.gz AFDCNCYPZOTIHX-UHFFFAOYSA-N 1 2 337.423 3.272 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccc(Cl)cn1)Cc1ccc(OC)cc1 ZINC000054272339 453919498 /nfs/dbraw/zinc/91/94/98/453919498.db2.gz AKUIFUKYKSHAOW-UHFFFAOYSA-N 1 2 345.830 3.370 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Cl)cn1)Cc1ccc(OC)cc1 ZINC000054272339 453919502 /nfs/dbraw/zinc/91/95/02/453919502.db2.gz AKUIFUKYKSHAOW-UHFFFAOYSA-N 1 2 345.830 3.370 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)N1CCc2ccccc21 ZINC000076153336 453972271 /nfs/dbraw/zinc/97/22/71/453972271.db2.gz CJDHZIYTXIZHBB-PZJWPPBQSA-N 1 2 345.446 3.347 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)N1CCc2ccccc21 ZINC000076153336 453972273 /nfs/dbraw/zinc/97/22/73/453972273.db2.gz CJDHZIYTXIZHBB-PZJWPPBQSA-N 1 2 345.446 3.347 20 30 EGEDLO C[C@@]1(C#N)CCCN(Cc2c[nH+]c3ccc(Br)cn23)C1 ZINC000612406891 460622393 /nfs/dbraw/zinc/62/23/93/460622393.db2.gz WJNOPFJNJKUMJT-HNNXBMFYSA-N 1 2 333.233 3.222 20 30 EGEDLO CCO[C@H](C)c1noc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000076723387 454030374 /nfs/dbraw/zinc/03/03/74/454030374.db2.gz WNDZPIOJYIQEME-CQSZACIVSA-N 1 2 328.416 3.449 20 30 EGEDLO CCO[C@H](C)c1noc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000076723387 454030376 /nfs/dbraw/zinc/03/03/76/454030376.db2.gz WNDZPIOJYIQEME-CQSZACIVSA-N 1 2 328.416 3.449 20 30 EGEDLO N#Cc1ccccc1N1CCCN(c2cc[nH+]c3ccncc32)CC1 ZINC000085657051 454036368 /nfs/dbraw/zinc/03/63/68/454036368.db2.gz DYBYBVUKHJHLTJ-UHFFFAOYSA-N 1 2 329.407 3.218 20 30 EGEDLO C#CC[N@@H+](Cn1c(=O)scc1-c1ccccn1)C1CCCCC1 ZINC000068616738 454040370 /nfs/dbraw/zinc/04/03/70/454040370.db2.gz IWDDIGBNONPEOK-UHFFFAOYSA-N 1 2 327.453 3.197 20 30 EGEDLO C#CC[N@H+](Cn1c(=O)scc1-c1ccccn1)C1CCCCC1 ZINC000068616738 454040373 /nfs/dbraw/zinc/04/03/73/454040373.db2.gz IWDDIGBNONPEOK-UHFFFAOYSA-N 1 2 327.453 3.197 20 30 EGEDLO C=CC[N@@H+](CC(=O)N[C@H]1CCCC[C@@H]1C)Cc1cccc(C#N)c1 ZINC000068827188 454057596 /nfs/dbraw/zinc/05/75/96/454057596.db2.gz HPKDZFSJVINNJL-LPHOPBHVSA-N 1 2 325.456 3.241 20 30 EGEDLO C=CC[N@H+](CC(=O)N[C@H]1CCCC[C@@H]1C)Cc1cccc(C#N)c1 ZINC000068827188 454057597 /nfs/dbraw/zinc/05/75/97/454057597.db2.gz HPKDZFSJVINNJL-LPHOPBHVSA-N 1 2 325.456 3.241 20 30 EGEDLO CCOc1ccc(C#N)cc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000056478662 454061190 /nfs/dbraw/zinc/06/11/90/454061190.db2.gz AVJXTFICDPBXLD-UHFFFAOYSA-N 1 2 346.390 3.454 20 30 EGEDLO COc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000069085594 454077714 /nfs/dbraw/zinc/07/77/14/454077714.db2.gz AZIAEZUMQVBCHK-HNNXBMFYSA-N 1 2 341.436 3.404 20 30 EGEDLO COc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000069085594 454077717 /nfs/dbraw/zinc/07/77/17/454077717.db2.gz AZIAEZUMQVBCHK-HNNXBMFYSA-N 1 2 341.436 3.404 20 30 EGEDLO N#CCCCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000057530275 454134627 /nfs/dbraw/zinc/13/46/27/454134627.db2.gz YKYJMQWETNOMGU-UHFFFAOYSA-N 1 2 327.457 3.259 20 30 EGEDLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C#N)CC1)c1cc2ccccc2o1 ZINC000057877025 454153829 /nfs/dbraw/zinc/15/38/29/454153829.db2.gz JSSBXHZKNCELAG-ZIAGYGMSSA-N 1 2 325.412 3.234 20 30 EGEDLO C=CCN(Cc1ccccc1)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000045425649 454159484 /nfs/dbraw/zinc/15/94/84/454159484.db2.gz OYLFSEJEHLQGAA-UHFFFAOYSA-N 1 2 334.423 3.275 20 30 EGEDLO C=C(C)C[NH+]1CCN(S(=O)(=O)c2ccc([C@H](C)CC)cc2)CC1 ZINC000058044349 454161571 /nfs/dbraw/zinc/16/15/71/454161571.db2.gz PNOIXXWZGBHFQB-MRXNPFEDSA-N 1 2 336.501 3.083 20 30 EGEDLO C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(C#N)cc1 ZINC000045710066 454175648 /nfs/dbraw/zinc/17/56/48/454175648.db2.gz JLWDWFMPOXOVPG-HNNXBMFYSA-N 1 2 330.391 3.294 20 30 EGEDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000094155593 454189717 /nfs/dbraw/zinc/18/97/17/454189717.db2.gz OCZWRYRARANRAT-CYBMUJFWSA-N 1 2 328.366 3.115 20 30 EGEDLO C=CC[NH+](CC=C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000045914521 454195797 /nfs/dbraw/zinc/19/57/97/454195797.db2.gz CPWLTNWHYREKMV-UHFFFAOYSA-N 1 2 328.315 3.379 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)Nc1ccc(OC)cc1OC ZINC000072692681 454329521 /nfs/dbraw/zinc/32/95/21/454329521.db2.gz PJCAXQGCOGZCBH-UHFFFAOYSA-N 1 2 347.459 3.294 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)Nc1ccc(OC)cc1OC ZINC000072692681 454329526 /nfs/dbraw/zinc/32/95/26/454329526.db2.gz PJCAXQGCOGZCBH-UHFFFAOYSA-N 1 2 347.459 3.294 20 30 EGEDLO CC(C)(C)CCNC(=O)C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000072898072 454360209 /nfs/dbraw/zinc/36/02/09/454360209.db2.gz CYWGMYCBQRISGL-ROUUACIJSA-N 1 2 327.472 3.311 20 30 EGEDLO CC(C)(C)CCNC(=O)C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000072898072 454360215 /nfs/dbraw/zinc/36/02/15/454360215.db2.gz CYWGMYCBQRISGL-ROUUACIJSA-N 1 2 327.472 3.311 20 30 EGEDLO CCC1(CO)CC[NH+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC1 ZINC000091082055 454380475 /nfs/dbraw/zinc/38/04/75/454380475.db2.gz PXCVRDUXFZTPIM-UHFFFAOYSA-N 1 2 338.455 3.037 20 30 EGEDLO C=CC[N@@H+](CC(=O)N(C)[C@H](C)CC(C)C)Cc1cccc(C#N)c1 ZINC000063299805 454403474 /nfs/dbraw/zinc/40/34/74/454403474.db2.gz LJDIURTYDDOUSX-QGZVFWFLSA-N 1 2 327.472 3.439 20 30 EGEDLO C=CC[N@H+](CC(=O)N(C)[C@H](C)CC(C)C)Cc1cccc(C#N)c1 ZINC000063299805 454403478 /nfs/dbraw/zinc/40/34/78/454403478.db2.gz LJDIURTYDDOUSX-QGZVFWFLSA-N 1 2 327.472 3.439 20 30 EGEDLO COc1cc(N[C@@H]2CCC[N@H+](C[C@H](C#N)CCC#N)C2)cc(OC)c1 ZINC000133480066 454430030 /nfs/dbraw/zinc/43/00/30/454430030.db2.gz TZXXUAVTIQXKCP-JKSUJKDBSA-N 1 2 342.443 3.024 20 30 EGEDLO COc1cc(N[C@@H]2CCC[N@@H+](C[C@H](C#N)CCC#N)C2)cc(OC)c1 ZINC000133480066 454430034 /nfs/dbraw/zinc/43/00/34/454430034.db2.gz TZXXUAVTIQXKCP-JKSUJKDBSA-N 1 2 342.443 3.024 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000121489588 454442231 /nfs/dbraw/zinc/44/22/31/454442231.db2.gz PYANBUDHLFYKNG-MRXNPFEDSA-N 1 2 334.485 3.006 20 30 EGEDLO Cc1cccn2cc(CCNC(=O)c3ccc(Cl)c(C#N)c3)[nH+]c12 ZINC000612476981 460638580 /nfs/dbraw/zinc/63/85/80/460638580.db2.gz HVTXHLXEENFFPZ-UHFFFAOYSA-N 1 2 338.798 3.140 20 30 EGEDLO C[C@@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000134130437 454505709 /nfs/dbraw/zinc/50/57/09/454505709.db2.gz XDOVNZHMJHJJNF-YPMHNXCESA-N 1 2 335.333 3.256 20 30 EGEDLO Cc1ccccc1[C@@H](OC[C@H](O)C[N@H+](C)CCC#N)c1ccccc1 ZINC000122786701 454568949 /nfs/dbraw/zinc/56/89/49/454568949.db2.gz VUAUZDCIDPEEGC-CTNGQTDRSA-N 1 2 338.451 3.307 20 30 EGEDLO Cc1ccccc1[C@@H](OC[C@H](O)C[N@@H+](C)CCC#N)c1ccccc1 ZINC000122786701 454568951 /nfs/dbraw/zinc/56/89/51/454568951.db2.gz VUAUZDCIDPEEGC-CTNGQTDRSA-N 1 2 338.451 3.307 20 30 EGEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000103967202 454571470 /nfs/dbraw/zinc/57/14/70/454571470.db2.gz IZXNKUNJQYAEAQ-ZDUSSCGKSA-N 1 2 332.363 3.354 20 30 EGEDLO CCc1noc([C@@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000104713371 454597718 /nfs/dbraw/zinc/59/77/18/454597718.db2.gz ONERDIPTLNFSNG-CYBMUJFWSA-N 1 2 326.400 3.108 20 30 EGEDLO CCOC(=O)C[N@H+](CCOc1cccc(C#N)c1)Cc1ccccc1 ZINC000065684211 454610269 /nfs/dbraw/zinc/61/02/69/454610269.db2.gz VUWDBVDHOGXSOK-UHFFFAOYSA-N 1 2 338.407 3.002 20 30 EGEDLO CCOC(=O)C[N@@H+](CCOc1cccc(C#N)c1)Cc1ccccc1 ZINC000065684211 454610274 /nfs/dbraw/zinc/61/02/74/454610274.db2.gz VUWDBVDHOGXSOK-UHFFFAOYSA-N 1 2 338.407 3.002 20 30 EGEDLO N#Cc1cccc(OCCN2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000051212114 454612880 /nfs/dbraw/zinc/61/28/80/454612880.db2.gz RBRYCKTVWVDOIM-WEVVVXLNSA-N 1 2 347.462 3.268 20 30 EGEDLO COc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)cc1C#N ZINC000135032676 454626596 /nfs/dbraw/zinc/62/65/96/454626596.db2.gz JTBCSSOHHYXMNA-LJQANCHMSA-N 1 2 326.371 3.279 20 30 EGEDLO COc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3F)C2)cc1C#N ZINC000135032676 454626600 /nfs/dbraw/zinc/62/66/00/454626600.db2.gz JTBCSSOHHYXMNA-LJQANCHMSA-N 1 2 326.371 3.279 20 30 EGEDLO CCc1[nH+]c2ccccc2n1C1CCN(c2ccc(C#N)nn2)CC1 ZINC000092961491 454659649 /nfs/dbraw/zinc/65/96/49/454659649.db2.gz YPXOCEZCPHCNGI-UHFFFAOYSA-N 1 2 332.411 3.102 20 30 EGEDLO CCOCC[N@H+](Cc1ccc(C(=O)OC)o1)Cc1cc(C#N)cs1 ZINC000092975974 454663917 /nfs/dbraw/zinc/66/39/17/454663917.db2.gz YZZPFECQXCUDSE-UHFFFAOYSA-N 1 2 348.424 3.038 20 30 EGEDLO CCOCC[N@@H+](Cc1ccc(C(=O)OC)o1)Cc1cc(C#N)cs1 ZINC000092975974 454663920 /nfs/dbraw/zinc/66/39/20/454663920.db2.gz YZZPFECQXCUDSE-UHFFFAOYSA-N 1 2 348.424 3.038 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000081151480 454690195 /nfs/dbraw/zinc/69/01/95/454690195.db2.gz PIVSNGYDVUJINP-ZWKOTPCHSA-N 1 2 344.418 3.136 20 30 EGEDLO C#CCN(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CCCC1 ZINC000176230584 454714543 /nfs/dbraw/zinc/71/45/43/454714543.db2.gz KRTSOXOFSIFQJP-UHFFFAOYSA-N 1 2 336.439 3.019 20 30 EGEDLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2ccc(C#N)cc2)s1 ZINC000106875686 454726005 /nfs/dbraw/zinc/72/60/05/454726005.db2.gz PKZALHQHRKHRKZ-LBPRGKRZSA-N 1 2 328.441 3.263 20 30 EGEDLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)s1 ZINC000106875686 454726008 /nfs/dbraw/zinc/72/60/08/454726008.db2.gz PKZALHQHRKHRKZ-LBPRGKRZSA-N 1 2 328.441 3.263 20 30 EGEDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000136268347 454732602 /nfs/dbraw/zinc/73/26/02/454732602.db2.gz VPEPZHVUPLTJGL-VAWYXSNFSA-N 1 2 342.402 3.350 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(C#N)cs1)c1cccc(F)c1 ZINC000176895362 454795593 /nfs/dbraw/zinc/79/55/93/454795593.db2.gz BZJNZULYZRHSHN-OAHLLOKOSA-N 1 2 340.383 3.012 20 30 EGEDLO COC(=O)C[N@H+](CCCC#N)CCc1ccc(Cl)cc1Cl ZINC000125128314 454798752 /nfs/dbraw/zinc/79/87/52/454798752.db2.gz RZADUSANZZBKJH-UHFFFAOYSA-N 1 2 329.227 3.315 20 30 EGEDLO COC(=O)C[N@@H+](CCCC#N)CCc1ccc(Cl)cc1Cl ZINC000125128314 454798754 /nfs/dbraw/zinc/79/87/54/454798754.db2.gz RZADUSANZZBKJH-UHFFFAOYSA-N 1 2 329.227 3.315 20 30 EGEDLO C[C@H](C#N)NC(=O)c1ccccc1SCc1cn2ccccc2[nH+]1 ZINC000125449814 454823043 /nfs/dbraw/zinc/82/30/43/454823043.db2.gz RZNNCWYWKGIRET-CYBMUJFWSA-N 1 2 336.420 3.268 20 30 EGEDLO C#CCCCCNC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000177349667 454855103 /nfs/dbraw/zinc/85/51/03/454855103.db2.gz SPVDQNYNOADHOE-UHFFFAOYSA-N 1 2 335.451 3.146 20 30 EGEDLO C#CCCCCNC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000177349667 454855108 /nfs/dbraw/zinc/85/51/08/454855108.db2.gz SPVDQNYNOADHOE-UHFFFAOYSA-N 1 2 335.451 3.146 20 30 EGEDLO N#CC[N@@H+](C[C@@H](O)CO[C@@H]1CCCc2ccccc21)C1CCCC1 ZINC000151125775 454941576 /nfs/dbraw/zinc/94/15/76/454941576.db2.gz KOQOEPVWPVPWRS-UYAOXDASSA-N 1 2 328.456 3.210 20 30 EGEDLO N#CC[N@H+](C[C@@H](O)CO[C@@H]1CCCc2ccccc21)C1CCCC1 ZINC000151125775 454941579 /nfs/dbraw/zinc/94/15/79/454941579.db2.gz KOQOEPVWPVPWRS-UYAOXDASSA-N 1 2 328.456 3.210 20 30 EGEDLO N#CC[N@@H+](C[C@H](O)CO[C@@H]1CCCc2ccccc21)C1CCCC1 ZINC000151125895 454941923 /nfs/dbraw/zinc/94/19/23/454941923.db2.gz KOQOEPVWPVPWRS-AZUAARDMSA-N 1 2 328.456 3.210 20 30 EGEDLO N#CC[N@H+](C[C@H](O)CO[C@@H]1CCCc2ccccc21)C1CCCC1 ZINC000151125895 454941924 /nfs/dbraw/zinc/94/19/24/454941924.db2.gz KOQOEPVWPVPWRS-AZUAARDMSA-N 1 2 328.456 3.210 20 30 EGEDLO C[N@H+](Cc1cn2ccccc2c1C#N)Cc1ccc([S@@](C)=O)cc1 ZINC000178436059 454955538 /nfs/dbraw/zinc/95/55/38/454955538.db2.gz HGDNJALGORJLOH-XMMPIXPASA-N 1 2 337.448 3.180 20 30 EGEDLO C[N@@H+](Cc1cn2ccccc2c1C#N)Cc1ccc([S@@](C)=O)cc1 ZINC000178436059 454955542 /nfs/dbraw/zinc/95/55/42/454955542.db2.gz HGDNJALGORJLOH-XMMPIXPASA-N 1 2 337.448 3.180 20 30 EGEDLO C[N@H+](Cc1ccc(C(F)(F)F)cc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115531512 455019930 /nfs/dbraw/zinc/01/99/30/455019930.db2.gz GOTDAOYBSRXENR-INIZCTEOSA-N 1 2 347.340 3.235 20 30 EGEDLO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115531512 455019932 /nfs/dbraw/zinc/01/99/32/455019932.db2.gz GOTDAOYBSRXENR-INIZCTEOSA-N 1 2 347.340 3.235 20 30 EGEDLO C#CCCCCNC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000152054994 455066936 /nfs/dbraw/zinc/06/69/36/455066936.db2.gz XLABNNZHGYLDHV-UHFFFAOYSA-N 1 2 338.455 3.119 20 30 EGEDLO C[N@H+](Cc1ccccc1C#N)[C@@H](CO)c1cccc(Br)c1 ZINC000179741103 455072469 /nfs/dbraw/zinc/07/24/69/455072469.db2.gz ZWUZXQOUJKUADZ-KRWDZBQOSA-N 1 2 345.240 3.486 20 30 EGEDLO C[N@@H+](Cc1ccccc1C#N)[C@@H](CO)c1cccc(Br)c1 ZINC000179741103 455072471 /nfs/dbraw/zinc/07/24/71/455072471.db2.gz ZWUZXQOUJKUADZ-KRWDZBQOSA-N 1 2 345.240 3.486 20 30 EGEDLO C[C@@H]1C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CCS1 ZINC000171696812 455086536 /nfs/dbraw/zinc/08/65/36/455086536.db2.gz VRSBAXIUWPUYGL-CQSZACIVSA-N 1 2 327.453 3.175 20 30 EGEDLO C[C@@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CCS1 ZINC000171696812 455086538 /nfs/dbraw/zinc/08/65/38/455086538.db2.gz VRSBAXIUWPUYGL-CQSZACIVSA-N 1 2 327.453 3.175 20 30 EGEDLO N#CCCCOc1cccc(C[NH+]2CCN(CC(F)(F)F)CC2)c1 ZINC000179843379 455088074 /nfs/dbraw/zinc/08/80/74/455088074.db2.gz TWSPSAOITIYPQP-UHFFFAOYSA-N 1 2 341.377 3.049 20 30 EGEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc(C#N)s1 ZINC000179941684 455102717 /nfs/dbraw/zinc/10/27/17/455102717.db2.gz LVLGDXFULWPYKO-GFCCVEGCSA-N 1 2 334.466 3.216 20 30 EGEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000179941684 455102718 /nfs/dbraw/zinc/10/27/18/455102718.db2.gz LVLGDXFULWPYKO-GFCCVEGCSA-N 1 2 334.466 3.216 20 30 EGEDLO COc1ccc(C#N)cc1C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000156326165 455105071 /nfs/dbraw/zinc/10/50/71/455105071.db2.gz XIEVLEUHLWUDPD-GOSISDBHSA-N 1 2 326.396 3.341 20 30 EGEDLO COc1ccc(C#N)cc1C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000156326165 455105073 /nfs/dbraw/zinc/10/50/73/455105073.db2.gz XIEVLEUHLWUDPD-GOSISDBHSA-N 1 2 326.396 3.341 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000152396278 455112317 /nfs/dbraw/zinc/11/23/17/455112317.db2.gz DEUQPXVWDVSSTB-KBPBESRZSA-N 1 2 340.452 3.478 20 30 EGEDLO C#CCCCCNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000152416145 455116070 /nfs/dbraw/zinc/11/60/70/455116070.db2.gz OFBDBXLYHAOAFX-CALCHBBNSA-N 1 2 343.471 3.221 20 30 EGEDLO C#CCCCCNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000152416145 455116074 /nfs/dbraw/zinc/11/60/74/455116074.db2.gz OFBDBXLYHAOAFX-CALCHBBNSA-N 1 2 343.471 3.221 20 30 EGEDLO C/C=C/c1ccc(OC[C@H](O)C[N@H+](CC#N)C2CCCC2)c(OC)c1 ZINC000156614003 455138784 /nfs/dbraw/zinc/13/87/84/455138784.db2.gz DUWCBOHRQXZSIH-HNSSHINMSA-N 1 2 344.455 3.236 20 30 EGEDLO C/C=C/c1ccc(OC[C@H](O)C[N@@H+](CC#N)C2CCCC2)c(OC)c1 ZINC000156614003 455138787 /nfs/dbraw/zinc/13/87/87/455138787.db2.gz DUWCBOHRQXZSIH-HNSSHINMSA-N 1 2 344.455 3.236 20 30 EGEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)c2cc([N+](=O)[O-])ccc2C)cs1 ZINC000180363240 455161444 /nfs/dbraw/zinc/16/14/44/455161444.db2.gz FSGMBXKLWKNCJZ-SNVBAGLBSA-N 1 2 334.401 3.261 20 30 EGEDLO C#CCOc1ccc(F)cc1NCc1[nH+]ccn1CC(F)(F)F ZINC000172924258 455210972 /nfs/dbraw/zinc/21/09/72/455210972.db2.gz ONGSEFNHQBUTIB-UHFFFAOYSA-N 1 2 327.281 3.209 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCS[C@H](C)C1 ZINC000264440348 455213009 /nfs/dbraw/zinc/21/30/09/455213009.db2.gz FORDYWBOBGCUOL-UONOGXRCSA-N 1 2 349.525 3.457 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCS[C@H](C)C1 ZINC000264440348 455213014 /nfs/dbraw/zinc/21/30/14/455213014.db2.gz FORDYWBOBGCUOL-UONOGXRCSA-N 1 2 349.525 3.457 20 30 EGEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000265616834 455350482 /nfs/dbraw/zinc/35/04/82/455350482.db2.gz IWFRYGKYUZCAKN-OAHLLOKOSA-N 1 2 339.464 3.068 20 30 EGEDLO C=C(C)COc1cc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)ccc1OC ZINC000245751501 455373022 /nfs/dbraw/zinc/37/30/22/455373022.db2.gz HDUZWESDJANPFR-QUCCMNQESA-N 1 2 347.455 3.030 20 30 EGEDLO C=C(C)COc1cc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)ccc1OC ZINC000245751501 455373027 /nfs/dbraw/zinc/37/30/27/455373027.db2.gz HDUZWESDJANPFR-QUCCMNQESA-N 1 2 347.455 3.030 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184463668 455385607 /nfs/dbraw/zinc/38/56/07/455385607.db2.gz OBISTOHBPCCGHA-SJCJKPOMSA-N 1 2 336.505 3.146 20 30 EGEDLO CC(C)c1ccc(CCNC(=O)C[N@H+](CCC#N)CC2CC2)cc1 ZINC000174695493 455412042 /nfs/dbraw/zinc/41/20/42/455412042.db2.gz QNQXDGRYCXGIQX-UHFFFAOYSA-N 1 2 327.472 3.094 20 30 EGEDLO CC(C)c1ccc(CCNC(=O)C[N@@H+](CCC#N)CC2CC2)cc1 ZINC000174695493 455412047 /nfs/dbraw/zinc/41/20/47/455412047.db2.gz QNQXDGRYCXGIQX-UHFFFAOYSA-N 1 2 327.472 3.094 20 30 EGEDLO C[C@H]1CSCC[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174870959 455416603 /nfs/dbraw/zinc/41/66/03/455416603.db2.gz BZKUKNITWMTAMG-AWEZNQCLSA-N 1 2 327.453 3.175 20 30 EGEDLO C[C@H]1CSCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174870959 455416605 /nfs/dbraw/zinc/41/66/05/455416605.db2.gz BZKUKNITWMTAMG-AWEZNQCLSA-N 1 2 327.453 3.175 20 30 EGEDLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)o1 ZINC000184775547 455446595 /nfs/dbraw/zinc/44/65/95/455446595.db2.gz WZSUTPQRDWHURQ-GUYCJALGSA-N 1 2 341.411 3.018 20 30 EGEDLO C=CC[N@@H+](CCOC)Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000191121703 455447760 /nfs/dbraw/zinc/44/77/60/455447760.db2.gz VFKDTEMNPBEQOZ-UHFFFAOYSA-N 1 2 329.419 3.135 20 30 EGEDLO C=CC[N@H+](CCOC)Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000191121703 455447766 /nfs/dbraw/zinc/44/77/66/455447766.db2.gz VFKDTEMNPBEQOZ-UHFFFAOYSA-N 1 2 329.419 3.135 20 30 EGEDLO N#CCC[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000160635778 455483512 /nfs/dbraw/zinc/48/35/12/455483512.db2.gz COACJSJOCIXCHQ-GOSISDBHSA-N 1 2 337.427 3.275 20 30 EGEDLO CC1(C)C(=O)NCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191496176 455491448 /nfs/dbraw/zinc/49/14/48/455491448.db2.gz ADSYYMMKGUUVTQ-UHFFFAOYSA-N 1 2 347.462 3.097 20 30 EGEDLO CC1(C)C(=O)NCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191496176 455491450 /nfs/dbraw/zinc/49/14/50/455491450.db2.gz ADSYYMMKGUUVTQ-UHFFFAOYSA-N 1 2 347.462 3.097 20 30 EGEDLO N#Cc1ccc(NC[C@H](c2ccccc2Cl)[NH+]2CCOCC2)cn1 ZINC000267360519 455546980 /nfs/dbraw/zinc/54/69/80/455546980.db2.gz HZMWAJKUZKWCES-GOSISDBHSA-N 1 2 342.830 3.092 20 30 EGEDLO Cc1nc(CO[NH+]=C(N)[C@@H]2CCCO2)oc1-c1ccc(Cl)cc1 ZINC000284560290 455706902 /nfs/dbraw/zinc/70/69/02/455706902.db2.gz WHNOWEJRUJGQBF-ZDUSSCGKSA-N 1 2 335.791 3.271 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)Cc1conc1CC ZINC000293437005 455786862 /nfs/dbraw/zinc/78/68/62/455786862.db2.gz OJAGLGWAZYRXGP-AWEZNQCLSA-N 1 2 347.484 3.334 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)Cc1conc1CC ZINC000293437005 455786867 /nfs/dbraw/zinc/78/68/67/455786867.db2.gz OJAGLGWAZYRXGP-AWEZNQCLSA-N 1 2 347.484 3.334 20 30 EGEDLO CN(CCC#N)c1ccc(C[N@@H+]2CC(C)(C)[C@H]2c2nccn2C)cc1 ZINC000294907368 455831781 /nfs/dbraw/zinc/83/17/81/455831781.db2.gz XUJUWODVDUYJLD-GOSISDBHSA-N 1 2 337.471 3.353 20 30 EGEDLO CN(CCC#N)c1ccc(C[N@H+]2CC(C)(C)[C@H]2c2nccn2C)cc1 ZINC000294907368 455831784 /nfs/dbraw/zinc/83/17/84/455831784.db2.gz XUJUWODVDUYJLD-GOSISDBHSA-N 1 2 337.471 3.353 20 30 EGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)C#Cc1ccc(CC)cc1 ZINC000295270497 455844482 /nfs/dbraw/zinc/84/44/82/455844482.db2.gz HQJNSYGJFCZJDM-UHFFFAOYSA-N 1 2 337.467 3.298 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000278888991 455851535 /nfs/dbraw/zinc/85/15/35/455851535.db2.gz IORQHRGFXKKYDR-JTQLQIEISA-N 1 2 335.395 3.237 20 30 EGEDLO C=C(C)[C@H](CC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1)OCC ZINC000270031238 455860487 /nfs/dbraw/zinc/86/04/87/455860487.db2.gz LMMRTWYRENGNAM-SFHVURJKSA-N 1 2 345.487 3.450 20 30 EGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000279755286 455872550 /nfs/dbraw/zinc/87/25/50/455872550.db2.gz LUUXXRVMEMFILI-WMZOPIPTSA-N 1 2 343.471 3.069 20 30 EGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000279755286 455872553 /nfs/dbraw/zinc/87/25/53/455872553.db2.gz LUUXXRVMEMFILI-WMZOPIPTSA-N 1 2 343.471 3.069 20 30 EGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000279755283 455872787 /nfs/dbraw/zinc/87/27/87/455872787.db2.gz LUUXXRVMEMFILI-SJLPKXTDSA-N 1 2 343.471 3.069 20 30 EGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000279755283 455872791 /nfs/dbraw/zinc/87/27/91/455872791.db2.gz LUUXXRVMEMFILI-SJLPKXTDSA-N 1 2 343.471 3.069 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(OC(F)F)c(OC)c2)n1 ZINC000279783354 455873510 /nfs/dbraw/zinc/87/35/10/455873510.db2.gz USODZHCHHPFTLR-UHFFFAOYSA-N 1 2 349.381 3.148 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(OC(F)F)c(OC)c2)n1 ZINC000279783354 455873516 /nfs/dbraw/zinc/87/35/16/455873516.db2.gz USODZHCHHPFTLR-UHFFFAOYSA-N 1 2 349.381 3.148 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000187195645 455879888 /nfs/dbraw/zinc/87/98/88/455879888.db2.gz PHNCZMJPWNOFNS-HXUWFJFHSA-N 1 2 345.487 3.163 20 30 EGEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)NCCCCC#N)CC1 ZINC000280053346 455882541 /nfs/dbraw/zinc/88/25/41/455882541.db2.gz WFPQIJPAVDMSPP-UHFFFAOYSA-N 1 2 339.443 3.385 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccccc1OCC ZINC000272311811 455910586 /nfs/dbraw/zinc/91/05/86/455910586.db2.gz RTPVEXVCMUXBGV-UHFFFAOYSA-N 1 2 328.412 3.348 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccccc1OCC ZINC000272311811 455910589 /nfs/dbraw/zinc/91/05/89/455910589.db2.gz RTPVEXVCMUXBGV-UHFFFAOYSA-N 1 2 328.412 3.348 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000272340882 455920019 /nfs/dbraw/zinc/92/00/19/455920019.db2.gz YPTMJUNBEGTCAE-UHFFFAOYSA-N 1 2 343.452 3.499 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000272340882 455920025 /nfs/dbraw/zinc/92/00/25/455920025.db2.gz YPTMJUNBEGTCAE-UHFFFAOYSA-N 1 2 343.452 3.499 20 30 EGEDLO CC1CCN(c2ccc(CNC(=O)c3ccc(CC#N)cc3)c[nH+]2)CC1 ZINC000270303835 455924038 /nfs/dbraw/zinc/92/40/38/455924038.db2.gz ZSGNHRPWDARTGJ-UHFFFAOYSA-N 1 2 348.450 3.314 20 30 EGEDLO C=CCCO[C@H](C)c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000272672418 456035104 /nfs/dbraw/zinc/03/51/04/456035104.db2.gz QODNFPWFIJOZOF-WBVHZDCISA-N 1 2 343.427 3.297 20 30 EGEDLO C=CCCO[C@H](C)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000272672418 456035112 /nfs/dbraw/zinc/03/51/12/456035112.db2.gz QODNFPWFIJOZOF-WBVHZDCISA-N 1 2 343.427 3.297 20 30 EGEDLO C=CCN(Cc1ccccc1F)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000280871430 456069846 /nfs/dbraw/zinc/06/98/46/456069846.db2.gz YAJAAHJVJPIPAX-UHFFFAOYSA-N 1 2 340.389 3.317 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000188597280 456092916 /nfs/dbraw/zinc/09/29/16/456092916.db2.gz DXJWVYINCARNSA-HXUWFJFHSA-N 1 2 345.487 3.307 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2csc(-c3ccsc3)n2)C1=O ZINC000281127851 456140196 /nfs/dbraw/zinc/14/01/96/456140196.db2.gz CQHDCJZSMWGKIW-CQSZACIVSA-N 1 2 333.482 3.090 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2csc(-c3ccsc3)n2)C1=O ZINC000281127851 456140198 /nfs/dbraw/zinc/14/01/98/456140198.db2.gz CQHDCJZSMWGKIW-CQSZACIVSA-N 1 2 333.482 3.090 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000281202028 456163640 /nfs/dbraw/zinc/16/36/40/456163640.db2.gz YFNQKMLWOYHIKK-RDJZCZTQSA-N 1 2 340.427 3.190 20 30 EGEDLO Cc1ccc(C)n1C1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000263656699 456184415 /nfs/dbraw/zinc/18/44/15/456184415.db2.gz CQWMTMDCCRJAHJ-UHFFFAOYSA-N 1 2 342.468 3.314 20 30 EGEDLO COC(=O)[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1cc(C)cc(C)c1 ZINC000297366354 456201368 /nfs/dbraw/zinc/20/13/68/456201368.db2.gz IARWZJPTYSMSAW-SFHVURJKSA-N 1 2 344.455 3.208 20 30 EGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(CC#N)cc2)CC1 ZINC000274133199 456251430 /nfs/dbraw/zinc/25/14/30/456251430.db2.gz AFXSRGLVZKHJDM-OAHLLOKOSA-N 1 2 339.464 3.333 20 30 EGEDLO COCCOCCOCCC/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000274339145 456256570 /nfs/dbraw/zinc/25/65/70/456256570.db2.gz ARGJVWVKWPLXAB-HMMYKYKNSA-N 1 2 331.412 3.034 20 30 EGEDLO N#CCOc1ccc(C[N@@H+]2CCSC[C@H]2c2nccs2)cc1 ZINC000274485080 456260380 /nfs/dbraw/zinc/26/03/80/456260380.db2.gz GDAOUAABHDESRJ-HNNXBMFYSA-N 1 2 331.466 3.336 20 30 EGEDLO N#CCOc1ccc(C[N@H+]2CCSC[C@H]2c2nccs2)cc1 ZINC000274485080 456260382 /nfs/dbraw/zinc/26/03/82/456260382.db2.gz GDAOUAABHDESRJ-HNNXBMFYSA-N 1 2 331.466 3.336 20 30 EGEDLO C=C(C)[C@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000274742953 456264522 /nfs/dbraw/zinc/26/45/22/456264522.db2.gz YVWADCVJZOJXSO-LRDDRELGSA-N 1 2 334.370 3.166 20 30 EGEDLO N#CCC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000274805748 456265870 /nfs/dbraw/zinc/26/58/70/456265870.db2.gz RVKHNTAABBPNQG-UHFFFAOYSA-N 1 2 334.782 3.008 20 30 EGEDLO COCCN(Cc1ccc(C#N)cc1)c1nc(C)[nH+]c2c1CCCC2 ZINC000302055516 456277346 /nfs/dbraw/zinc/27/73/46/456277346.db2.gz QIYHSKDLBNAYOZ-UHFFFAOYSA-N 1 2 336.439 3.189 20 30 EGEDLO N#Cc1c(NCc2ccc(-n3cc[nH+]c3)c(F)c2)nc2ccccn12 ZINC000302067320 456278765 /nfs/dbraw/zinc/27/87/65/456278765.db2.gz DDKSTODHIMCBCK-UHFFFAOYSA-N 1 2 332.342 3.143 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000281678425 456291043 /nfs/dbraw/zinc/29/10/43/456291043.db2.gz ZLNGGWXLRDBNDL-ULQDDVLXSA-N 1 2 346.475 3.121 20 30 EGEDLO Cc1ccc2[nH+]c(COc3cccc(C(=O)N(C)[C@H](C)C#N)c3)cn2c1 ZINC000297838040 456306928 /nfs/dbraw/zinc/30/69/28/456306928.db2.gz RAFFVSUGLFTNSB-OAHLLOKOSA-N 1 2 348.406 3.206 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1nc2cccnc2s1 ZINC000352813402 456329304 /nfs/dbraw/zinc/32/93/04/456329304.db2.gz CZKKSORXRCSTDD-UHFFFAOYSA-N 1 2 329.425 3.355 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1nc2cccnc2s1 ZINC000352813402 456329310 /nfs/dbraw/zinc/32/93/10/456329310.db2.gz CZKKSORXRCSTDD-UHFFFAOYSA-N 1 2 329.425 3.355 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)N[C@H](C)c1ccccc1)Cc1ccc(CO)o1 ZINC000352813681 456329721 /nfs/dbraw/zinc/32/97/21/456329721.db2.gz CNQOJEQECBYQSW-MRXNPFEDSA-N 1 2 342.439 3.027 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)N[C@H](C)c1ccccc1)Cc1ccc(CO)o1 ZINC000352813681 456329730 /nfs/dbraw/zinc/32/97/30/456329730.db2.gz CNQOJEQECBYQSW-MRXNPFEDSA-N 1 2 342.439 3.027 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000352813111 456330560 /nfs/dbraw/zinc/33/05/60/456330560.db2.gz BMJXLPBLCRFXPO-MDZRGWNJSA-N 1 2 348.487 3.233 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000352813111 456330566 /nfs/dbraw/zinc/33/05/66/456330566.db2.gz BMJXLPBLCRFXPO-MDZRGWNJSA-N 1 2 348.487 3.233 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)N(C)[C@@H]1CCCC[C@H]1C)Cc1ccc(CO)o1 ZINC000352817712 456332784 /nfs/dbraw/zinc/33/27/84/456332784.db2.gz RNILQYSNPMQDAN-VQIMIIECSA-N 1 2 348.487 3.187 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)N(C)[C@@H]1CCCC[C@H]1C)Cc1ccc(CO)o1 ZINC000352817712 456332791 /nfs/dbraw/zinc/33/27/91/456332791.db2.gz RNILQYSNPMQDAN-VQIMIIECSA-N 1 2 348.487 3.187 20 30 EGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000298086241 456361597 /nfs/dbraw/zinc/36/15/97/456361597.db2.gz IITPXEBDZOTCHJ-OAHLLOKOSA-N 1 2 339.464 3.442 20 30 EGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000298086241 456361604 /nfs/dbraw/zinc/36/16/04/456361604.db2.gz IITPXEBDZOTCHJ-OAHLLOKOSA-N 1 2 339.464 3.442 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)N1CCCC[C@H]1C)Cc1cnn(C(C)C)c1 ZINC000352899761 456400362 /nfs/dbraw/zinc/40/03/62/456400362.db2.gz DLSOZSNNYVTRGC-QGZVFWFLSA-N 1 2 332.492 3.243 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)N1CCCC[C@H]1C)Cc1cnn(C(C)C)c1 ZINC000352899761 456400366 /nfs/dbraw/zinc/40/03/66/456400366.db2.gz DLSOZSNNYVTRGC-QGZVFWFLSA-N 1 2 332.492 3.243 20 30 EGEDLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1ccc(C#N)cc1Cl ZINC000353165469 456533298 /nfs/dbraw/zinc/53/32/98/456533298.db2.gz IMHFPKGTOMHRBQ-UHFFFAOYSA-N 1 2 333.863 3.436 20 30 EGEDLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc(C#N)cc1Cl ZINC000353165469 456533303 /nfs/dbraw/zinc/53/33/03/456533303.db2.gz IMHFPKGTOMHRBQ-UHFFFAOYSA-N 1 2 333.863 3.436 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccccc1 ZINC000348225332 456547200 /nfs/dbraw/zinc/54/72/00/456547200.db2.gz CENANKIBPJSEEV-UHFFFAOYSA-N 1 2 349.434 3.050 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccccc1 ZINC000348225332 456547211 /nfs/dbraw/zinc/54/72/11/456547211.db2.gz CENANKIBPJSEEV-UHFFFAOYSA-N 1 2 349.434 3.050 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000348239013 456561402 /nfs/dbraw/zinc/56/14/02/456561402.db2.gz PAFZTPPZNSQUFS-MPGHIAIKSA-N 1 2 348.512 3.151 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000348239013 456561406 /nfs/dbraw/zinc/56/14/06/456561406.db2.gz PAFZTPPZNSQUFS-MPGHIAIKSA-N 1 2 348.512 3.151 20 30 EGEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCC(F)(F)F)CC1 ZINC000348330881 456629401 /nfs/dbraw/zinc/62/94/01/456629401.db2.gz YUEFSYHCMRJDGO-CQSZACIVSA-N 1 2 331.769 3.475 20 30 EGEDLO COc1cc[nH+]cc1CNC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000348340083 456634374 /nfs/dbraw/zinc/63/43/74/456634374.db2.gz XCFFLWQRJOWWML-UHFFFAOYSA-N 1 2 348.406 3.279 20 30 EGEDLO N#Cc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c(Cl)c1 ZINC000338001143 456649429 /nfs/dbraw/zinc/64/94/29/456649429.db2.gz NPERBTXHOJRYNP-CYBMUJFWSA-N 1 2 341.802 3.007 20 30 EGEDLO C=CCOc1ccc(CNc2ccc(N3CCCC3)c[nH+]2)cc1OC ZINC000338163694 456676421 /nfs/dbraw/zinc/67/64/21/456676421.db2.gz YCKINRFEHNIVFR-UHFFFAOYSA-N 1 2 339.439 3.289 20 30 EGEDLO N#CCOc1ccc(/C=C/C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000299466179 456701671 /nfs/dbraw/zinc/70/16/71/456701671.db2.gz CQWIRCJXVLUQON-RCMYXZNBSA-N 1 2 336.395 3.079 20 30 EGEDLO CCS[C@@H]1CCCCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000328605351 456717074 /nfs/dbraw/zinc/71/70/74/456717074.db2.gz JNDJUJYIGVMSST-HUUCEWRRSA-N 1 2 336.505 3.282 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[NH2+]C(C)(C)c1nc(C(F)(F)F)cs1 ZINC000348511774 456724436 /nfs/dbraw/zinc/72/44/36/456724436.db2.gz GHTFHRQFOGRJII-UHFFFAOYSA-N 1 2 349.422 3.411 20 30 EGEDLO Cc1cc(C)cc(NC(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)c1 ZINC000328935776 456795211 /nfs/dbraw/zinc/79/52/11/456795211.db2.gz FQGBIFGEQBKSMN-QGZVFWFLSA-N 1 2 342.443 3.340 20 30 EGEDLO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@@H+]1CC(=O)Nc1c(C)cccc1C ZINC000329003761 456810825 /nfs/dbraw/zinc/81/08/25/456810825.db2.gz YCSVJUSDWZQNAP-OKZBNKHCSA-N 1 2 346.471 3.407 20 30 EGEDLO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@H+]1CC(=O)Nc1c(C)cccc1C ZINC000329003761 456810833 /nfs/dbraw/zinc/81/08/33/456810833.db2.gz YCSVJUSDWZQNAP-OKZBNKHCSA-N 1 2 346.471 3.407 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)C[C@H]1CCCCO1)C1CCOCC1 ZINC000329039833 456820410 /nfs/dbraw/zinc/82/04/10/456820410.db2.gz HUTGXIKGRYFSGV-NVXWUHKLSA-N 1 2 335.448 3.286 20 30 EGEDLO Cc1nnc([C@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)s1 ZINC000283685162 456824209 /nfs/dbraw/zinc/82/42/09/456824209.db2.gz WMGQKUMTAHDRRZ-LBPRGKRZSA-N 1 2 328.441 3.323 20 30 EGEDLO COc1cc2nc(N[C@H](C)c3ccc(C#N)cc3)[nH+]c(N)c2cc1OC ZINC000301227815 456826242 /nfs/dbraw/zinc/82/62/42/456826242.db2.gz FVNPPICFRQLYNR-LLVKDONJSA-N 1 2 349.394 3.274 20 30 EGEDLO C[C@@H]1CC[C@@H](C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)C1 ZINC000329202186 456852057 /nfs/dbraw/zinc/85/20/57/456852057.db2.gz CEFUJTTUJQBMKB-CHWSQXEVSA-N 1 2 328.416 3.424 20 30 EGEDLO O=C(N[C@@H]1CCCOc2c(F)cccc21)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329240355 456859182 /nfs/dbraw/zinc/85/91/82/456859182.db2.gz MQGSWJPREPFUSJ-MLGOLLRUSA-N 1 2 329.375 3.455 20 30 EGEDLO C=CC[C@H](CC)NC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000341438768 456863601 /nfs/dbraw/zinc/86/36/01/456863601.db2.gz YEZZZGQLABTDEY-KRWDZBQOSA-N 1 2 326.444 3.428 20 30 EGEDLO C=CC[C@@H](CC)NC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000341438769 456863825 /nfs/dbraw/zinc/86/38/25/456863825.db2.gz YEZZZGQLABTDEY-QGZVFWFLSA-N 1 2 326.444 3.428 20 30 EGEDLO O=C(NCCOC1CCCCCC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329308063 456869604 /nfs/dbraw/zinc/86/96/04/456869604.db2.gz ZMEDJXGWVHIQGR-GOSISDBHSA-N 1 2 338.492 3.326 20 30 EGEDLO O=C(NCCOC1CCCCCC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329308063 456869608 /nfs/dbraw/zinc/86/96/08/456869608.db2.gz ZMEDJXGWVHIQGR-GOSISDBHSA-N 1 2 338.492 3.326 20 30 EGEDLO CN(Cc1ccc(C#N)cc1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000341651563 456884487 /nfs/dbraw/zinc/88/44/87/456884487.db2.gz BKCPBUFVHFNTQV-IBGZPJMESA-N 1 2 344.418 3.462 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CC[C@H](C)[C@@H](C)C1)C1CCOCC1 ZINC000329433268 456889863 /nfs/dbraw/zinc/88/98/63/456889863.db2.gz ILGOESMLHFJECA-YQQAZPJKSA-N 1 2 348.491 3.263 20 30 EGEDLO O=C(Nc1ccc2ccccc2n1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329451316 456893504 /nfs/dbraw/zinc/89/35/04/456893504.db2.gz NAANLFAVPMCPJR-QGZVFWFLSA-N 1 2 325.412 3.466 20 30 EGEDLO O=C(Nc1ccc2ccccc2n1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329451316 456893507 /nfs/dbraw/zinc/89/35/07/456893507.db2.gz NAANLFAVPMCPJR-QGZVFWFLSA-N 1 2 325.412 3.466 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@H](C)CC1)C1CCOCC1 ZINC000329475101 456897063 /nfs/dbraw/zinc/89/70/63/456897063.db2.gz BBKAQZFOJAXLEU-DOTOQJQBSA-N 1 2 348.491 3.407 20 30 EGEDLO COC1(CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CCC(C)CC1 ZINC000329500146 456900871 /nfs/dbraw/zinc/90/08/71/456900871.db2.gz KDPYWRANLSVIKH-URSIVYNOSA-N 1 2 338.492 3.039 20 30 EGEDLO COC1(CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CCC(C)CC1 ZINC000329500146 456900874 /nfs/dbraw/zinc/90/08/74/456900874.db2.gz KDPYWRANLSVIKH-URSIVYNOSA-N 1 2 338.492 3.039 20 30 EGEDLO [O-]C(N[C@@H]1CCc2[nH]c[nH+]c2C1)=[NH+]c1nc2c(s1)CCCCCC2 ZINC000329522014 456904083 /nfs/dbraw/zinc/90/40/83/456904083.db2.gz PELVTGBKOARHTB-LLVKDONJSA-N 1 2 345.472 3.409 20 30 EGEDLO [O-]C(N[C@@H]1CCc2[nH+]c[nH]c2C1)=[NH+]c1nc2c(s1)CCCCCC2 ZINC000329522014 456904087 /nfs/dbraw/zinc/90/40/87/456904087.db2.gz PELVTGBKOARHTB-LLVKDONJSA-N 1 2 345.472 3.409 20 30 EGEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)NC[C@H]1CCCCS1 ZINC000329685505 456927367 /nfs/dbraw/zinc/92/73/67/456927367.db2.gz ZZRRHPHNKOMMTQ-CYBMUJFWSA-N 1 2 338.864 3.277 20 30 EGEDLO C[C@@H]1C[C@H](c2cccc(F)c2)N(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329728737 456932287 /nfs/dbraw/zinc/93/22/87/456932287.db2.gz PBIUIKIWPUFQJE-CDHAZOANSA-N 1 2 342.418 3.403 20 30 EGEDLO Cc1cccc(C)c1[C@H](C)NC([O-])=[NH+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000329873916 456954316 /nfs/dbraw/zinc/95/43/16/456954316.db2.gz CMDDWRDPFCXTCZ-JKSUJKDBSA-N 1 2 326.444 3.327 20 30 EGEDLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)sc1C ZINC000329942355 456964829 /nfs/dbraw/zinc/96/48/29/456964829.db2.gz HEWRNTWJEBJHTD-XYJRDEOASA-N 1 2 336.461 3.372 20 30 EGEDLO Cc1nc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)sc1C ZINC000329942355 456964834 /nfs/dbraw/zinc/96/48/34/456964834.db2.gz HEWRNTWJEBJHTD-XYJRDEOASA-N 1 2 336.461 3.372 20 30 EGEDLO Cc1nc2ccc(C(=O)N[C@@H]3CCO[C@H](c4c[nH+]cn4C)C3)cc2o1 ZINC000329981843 456970275 /nfs/dbraw/zinc/97/02/75/456970275.db2.gz OARNFMJWOMVECZ-DYVFJYSZSA-N 1 2 340.383 3.095 20 30 EGEDLO Cc1nc(CC(C)C)oc1C(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330018070 456975363 /nfs/dbraw/zinc/97/53/63/456975363.db2.gz SEYPBQHMHIUGMW-HIFRSBDPSA-N 1 2 346.431 3.140 20 30 EGEDLO O=C(NC1CCC(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1)C1CC1 ZINC000330027507 456976188 /nfs/dbraw/zinc/97/61/88/456976188.db2.gz NFRDBVJMOMHIER-HWOWSKLDSA-N 1 2 344.459 3.041 20 30 EGEDLO C=CCSc1ccccc1C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000345390482 456977182 /nfs/dbraw/zinc/97/71/82/456977182.db2.gz COJHYSSDHVUVLL-HZPDHXFCSA-N 1 2 348.512 3.146 20 30 EGEDLO CCC[C@H](NC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCOC2)C1)c1ccccc1 ZINC000330101620 456984701 /nfs/dbraw/zinc/98/47/01/456984701.db2.gz FJHITTSOWOEFNM-QRFRQXIXSA-N 1 2 346.471 3.364 20 30 EGEDLO CCC[C@H](NC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCOC2)C1)c1ccccc1 ZINC000330101620 456984702 /nfs/dbraw/zinc/98/47/02/456984702.db2.gz FJHITTSOWOEFNM-QRFRQXIXSA-N 1 2 346.471 3.364 20 30 EGEDLO CC[N@H+](CCCNC(=O)Cc1c(F)cccc1C#N)c1ccccc1 ZINC000349563360 456987645 /nfs/dbraw/zinc/98/76/45/456987645.db2.gz NAPDJYLZGOHRQI-UHFFFAOYSA-N 1 2 339.414 3.273 20 30 EGEDLO CC[N@@H+](CCCNC(=O)Cc1c(F)cccc1C#N)c1ccccc1 ZINC000349563360 456987648 /nfs/dbraw/zinc/98/76/48/456987648.db2.gz NAPDJYLZGOHRQI-UHFFFAOYSA-N 1 2 339.414 3.273 20 30 EGEDLO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000330120442 456987973 /nfs/dbraw/zinc/98/79/73/456987973.db2.gz IZOKCZONQXJTSY-JYJNAYRXSA-N 1 2 334.464 3.097 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000330152892 456993186 /nfs/dbraw/zinc/99/31/86/456993186.db2.gz MIDKQRXCXOQDIV-MBBONTPASA-N 1 2 338.492 3.036 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000330152892 456993187 /nfs/dbraw/zinc/99/31/87/456993187.db2.gz MIDKQRXCXOQDIV-MBBONTPASA-N 1 2 338.492 3.036 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000345813999 456998720 /nfs/dbraw/zinc/99/87/20/456998720.db2.gz QIMHYSJDPSVZGR-NSHDSACASA-N 1 2 340.254 3.376 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000345813999 456998727 /nfs/dbraw/zinc/99/87/27/456998727.db2.gz QIMHYSJDPSVZGR-NSHDSACASA-N 1 2 340.254 3.376 20 30 EGEDLO Cc1cccc(C2=CCN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)CC2)c1 ZINC000330193263 456999742 /nfs/dbraw/zinc/99/97/42/456999742.db2.gz OEPGNPUABDXKFM-SFHVURJKSA-N 1 2 336.439 3.210 20 30 EGEDLO Cc1cccc(C2=CCN(C(=O)N[C@H]3CCn4cc[nH+]c4C3)CC2)c1 ZINC000330193263 456999744 /nfs/dbraw/zinc/99/97/44/456999744.db2.gz OEPGNPUABDXKFM-SFHVURJKSA-N 1 2 336.439 3.210 20 30 EGEDLO Cc1ccccc1C1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330193103 456999847 /nfs/dbraw/zinc/99/98/47/456999847.db2.gz OBCYBQNLYJADFD-KRWDZBQOSA-N 1 2 338.455 3.300 20 30 EGEDLO O=C(N[C@@H]1CCOC2(CCCCC2)C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330225066 457006022 /nfs/dbraw/zinc/00/60/22/457006022.db2.gz NYTMMEKJKAPFLW-MRXNPFEDSA-N 1 2 346.475 3.385 20 30 EGEDLO COc1ccc([C@H](NC(=O)C[N@@H+]2CCO[C@H]3CCC[C@H]32)C2CC2)cc1 ZINC000330243105 457010646 /nfs/dbraw/zinc/01/06/46/457010646.db2.gz CKLBTDLAPVBFEB-WSTZPKSXSA-N 1 2 344.455 3.356 20 30 EGEDLO COc1ccc([C@H](NC(=O)C[N@H+]2CCO[C@H]3CCC[C@H]32)C2CC2)cc1 ZINC000330243105 457010653 /nfs/dbraw/zinc/01/06/53/457010653.db2.gz CKLBTDLAPVBFEB-WSTZPKSXSA-N 1 2 344.455 3.356 20 30 EGEDLO O=C(C[N@@H+]1CCOC[C@H](C2CCC2)C1)Nc1nc2c(s1)CCCC2 ZINC000330267849 457017091 /nfs/dbraw/zinc/01/70/91/457017091.db2.gz IIFIKAJKGNYUAL-CQSZACIVSA-N 1 2 349.500 3.358 20 30 EGEDLO O=C(C[N@H+]1CCOC[C@H](C2CCC2)C1)Nc1nc2c(s1)CCCC2 ZINC000330267849 457017101 /nfs/dbraw/zinc/01/71/01/457017101.db2.gz IIFIKAJKGNYUAL-CQSZACIVSA-N 1 2 349.500 3.358 20 30 EGEDLO Cc1ccc(Cc2noc([C@@H](C#N)Cc3ccc(C#N)cc3)n2)c[nH+]1 ZINC000346131495 457019963 /nfs/dbraw/zinc/01/99/63/457019963.db2.gz KDDJVTZHXIKZIC-QGZVFWFLSA-N 1 2 329.363 3.085 20 30 EGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)C[C@H](CC#N)c1ccccc1)CCC2 ZINC000356512598 457030488 /nfs/dbraw/zinc/03/04/88/457030488.db2.gz IUEZJXJRSFZNJY-ZWKOTPCHSA-N 1 2 336.439 3.273 20 30 EGEDLO CCN1CCN(C(=O)Nc2cccc(C(F)F)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330345694 457033482 /nfs/dbraw/zinc/03/34/82/457033482.db2.gz FMZNRYAKHCTEJG-AWEZNQCLSA-N 1 2 349.385 3.272 20 30 EGEDLO N#Cc1cccc(C2(C(=O)NCc3cccc(-c4[nH]cc[nH+]4)c3)CC2)c1 ZINC000342014691 457060000 /nfs/dbraw/zinc/06/00/00/457060000.db2.gz APGJODNELSUTOJ-UHFFFAOYSA-N 1 2 342.402 3.296 20 30 EGEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000362788606 457094764 /nfs/dbraw/zinc/09/47/64/457094764.db2.gz QZXQNUBWUZPURN-LBPRGKRZSA-N 1 2 335.860 3.375 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC000349962829 457122984 /nfs/dbraw/zinc/12/29/84/457122984.db2.gz JFJFWEVSMWXBKD-NRFANRHFSA-N 1 2 345.446 3.108 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC000349962829 457122988 /nfs/dbraw/zinc/12/29/88/457122988.db2.gz JFJFWEVSMWXBKD-NRFANRHFSA-N 1 2 345.446 3.108 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCc2ccc(Br)cc2C1 ZINC000342157552 457140627 /nfs/dbraw/zinc/14/06/27/457140627.db2.gz QBNYQARFKXSPIT-UHFFFAOYSA-N 1 2 349.272 3.008 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000342157552 457140632 /nfs/dbraw/zinc/14/06/32/457140632.db2.gz QBNYQARFKXSPIT-UHFFFAOYSA-N 1 2 349.272 3.008 20 30 EGEDLO C[C@@H]1CN(c2ccc(Nc3c(C#N)cccc3C#N)c[nH+]2)C[C@H](C)O1 ZINC000359996650 457194215 /nfs/dbraw/zinc/19/42/15/457194215.db2.gz XTLTURRDDJHGMJ-OKILXGFUSA-N 1 2 333.395 3.182 20 30 EGEDLO N#Cc1cccc(OCCC[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000363148485 457238688 /nfs/dbraw/zinc/23/86/88/457238688.db2.gz MAKPBHTZIMRXNA-OAQYLSRUSA-N 1 2 347.418 3.272 20 30 EGEDLO N#Cc1cccc(OCCC[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000363148485 457238692 /nfs/dbraw/zinc/23/86/92/457238692.db2.gz MAKPBHTZIMRXNA-OAQYLSRUSA-N 1 2 347.418 3.272 20 30 EGEDLO N#C[C@@H](C(=O)c1ccc2c[nH+]cn2c1)c1nc(-c2ccncc2)cs1 ZINC000342335820 457243581 /nfs/dbraw/zinc/24/35/81/457243581.db2.gz VRVFMNKLCJQEOX-HNNXBMFYSA-N 1 2 345.387 3.343 20 30 EGEDLO C=CCOc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000351787277 457316889 /nfs/dbraw/zinc/31/68/89/457316889.db2.gz YWVKQJQBNPBMJO-UHFFFAOYSA-N 1 2 333.391 3.367 20 30 EGEDLO C[C@@H](C#N)C[N@H+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000352098065 457337571 /nfs/dbraw/zinc/33/75/71/457337571.db2.gz ZLPAHTWRNLJAFG-LBPRGKRZSA-N 1 2 333.233 3.226 20 30 EGEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000352413510 457361710 /nfs/dbraw/zinc/36/17/10/457361710.db2.gz PNSWMNTYJSUSIB-AWEZNQCLSA-N 1 2 332.473 3.114 20 30 EGEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000352413510 457361715 /nfs/dbraw/zinc/36/17/15/457361715.db2.gz PNSWMNTYJSUSIB-AWEZNQCLSA-N 1 2 332.473 3.114 20 30 EGEDLO C=CCOc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2c2ccccc2C)c1 ZINC000355510736 457381611 /nfs/dbraw/zinc/38/16/11/457381611.db2.gz LSEXKXUJECDJGO-FQEVSTJZSA-N 1 2 336.435 3.233 20 30 EGEDLO C=CCOc1cccc(C[N@H+]2CCNC(=O)[C@@H]2c2ccccc2C)c1 ZINC000355510736 457381622 /nfs/dbraw/zinc/38/16/22/457381622.db2.gz LSEXKXUJECDJGO-FQEVSTJZSA-N 1 2 336.435 3.233 20 30 EGEDLO N#CC1(F)CC[NH+](Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000352458734 457385078 /nfs/dbraw/zinc/38/50/78/457385078.db2.gz OFXKWZJJWQVCPP-UHFFFAOYSA-N 1 2 345.399 3.366 20 30 EGEDLO N#CC1(F)CC[NH+](Cc2nc3cc(Br)ccc3o2)CC1 ZINC000352467723 457390914 /nfs/dbraw/zinc/39/09/14/457390914.db2.gz NBHPEEHIYMCPOF-UHFFFAOYSA-N 1 2 338.180 3.418 20 30 EGEDLO Cc1cc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(C)c[nH+]1 ZINC000378356468 457393497 /nfs/dbraw/zinc/39/34/97/457393497.db2.gz SRZDAHWNKYIINN-PKOBYXMFSA-N 1 2 334.423 3.424 20 30 EGEDLO C=CCN(CC(F)(F)F)C(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000355961402 457434794 /nfs/dbraw/zinc/43/47/94/457434794.db2.gz VMELZSVPZWAVKZ-UHFFFAOYSA-N 1 2 325.334 3.312 20 30 EGEDLO Cc1cc(NCc2ccc(COCC(F)(F)F)cc2)c(C#N)c[nH+]1 ZINC000425210053 457461731 /nfs/dbraw/zinc/46/17/31/457461731.db2.gz QIMNOWIVDIZKEX-UHFFFAOYSA-N 1 2 335.329 3.375 20 30 EGEDLO CCc1ccc(C(=O)N2CC[NH+](Cc3ccc(CC#N)cc3)CC2)cc1 ZINC000342765378 457510359 /nfs/dbraw/zinc/51/03/59/457510359.db2.gz NJVPUJODQKVMOC-UHFFFAOYSA-N 1 2 347.462 3.273 20 30 EGEDLO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000370456877 457651683 /nfs/dbraw/zinc/65/16/83/457651683.db2.gz KOYGUZHZOAWTHE-IRXDYDNUSA-N 1 2 329.444 3.283 20 30 EGEDLO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000370456877 457651689 /nfs/dbraw/zinc/65/16/89/457651689.db2.gz KOYGUZHZOAWTHE-IRXDYDNUSA-N 1 2 329.444 3.283 20 30 EGEDLO N#C[C@H](CCc1ccccc1)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000433221177 457782426 /nfs/dbraw/zinc/78/24/26/457782426.db2.gz SHRVCMOJXZGESJ-IBGZPJMESA-N 1 2 348.450 3.071 20 30 EGEDLO N#C[C@@H](CCc1ccccc1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000433340093 457815178 /nfs/dbraw/zinc/81/51/78/457815178.db2.gz ACNXHTBZVQLXPB-GOSISDBHSA-N 1 2 336.439 3.162 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000366600163 457864894 /nfs/dbraw/zinc/86/48/94/457864894.db2.gz HDAYNMMAVXESKH-OAHLLOKOSA-N 1 2 329.407 3.258 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000366600163 457864897 /nfs/dbraw/zinc/86/48/97/457864897.db2.gz HDAYNMMAVXESKH-OAHLLOKOSA-N 1 2 329.407 3.258 20 30 EGEDLO CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411401249 457874277 /nfs/dbraw/zinc/87/42/77/457874277.db2.gz MEOXVVMRFNSPPW-UHFFFAOYSA-N 1 2 344.459 3.124 20 30 EGEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000411665692 457944276 /nfs/dbraw/zinc/94/42/76/457944276.db2.gz HGOWMASMVUWYRF-AWEZNQCLSA-N 1 2 327.453 3.351 20 30 EGEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000371483971 457955288 /nfs/dbraw/zinc/95/52/88/457955288.db2.gz YIRCDUYWKUFXQZ-GFCCVEGCSA-N 1 2 335.860 3.375 20 30 EGEDLO Cc1ccc(F)c(C[N@@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)c1 ZINC000444742692 457961853 /nfs/dbraw/zinc/96/18/53/457961853.db2.gz WXDRMTWIVJPJCF-UHFFFAOYSA-N 1 2 331.435 3.251 20 30 EGEDLO Cc1ccc(F)c(C[N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)c1 ZINC000444742692 457961858 /nfs/dbraw/zinc/96/18/58/457961858.db2.gz WXDRMTWIVJPJCF-UHFFFAOYSA-N 1 2 331.435 3.251 20 30 EGEDLO C=CCCN(C)C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000427407188 457983755 /nfs/dbraw/zinc/98/37/55/457983755.db2.gz LGRPFTZAWZCQGI-UHFFFAOYSA-N 1 2 339.395 3.155 20 30 EGEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000361996568 457996449 /nfs/dbraw/zinc/99/64/49/457996449.db2.gz PFJTWVRHRAOUTI-LLVKDONJSA-N 1 2 331.243 3.455 20 30 EGEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000361996568 457996454 /nfs/dbraw/zinc/99/64/54/457996454.db2.gz PFJTWVRHRAOUTI-LLVKDONJSA-N 1 2 331.243 3.455 20 30 EGEDLO COc1ccc([C@H](Nc2nccc(C)c2C#N)c2[nH+]ccn2C)cc1 ZINC000368342661 458026794 /nfs/dbraw/zinc/02/67/94/458026794.db2.gz WQVOPDARRNSNPF-KRWDZBQOSA-N 1 2 333.395 3.205 20 30 EGEDLO C=C[C@@H](C)NC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000362370702 458130892 /nfs/dbraw/zinc/13/08/92/458130892.db2.gz MSFYEDWMZLJMQW-OAHLLOKOSA-N 1 2 336.439 3.018 20 30 EGEDLO C=CC(C)(C)CNC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000458990240 458237780 /nfs/dbraw/zinc/23/77/80/458237780.db2.gz RAIUSIRZRARBBQ-UHFFFAOYSA-N 1 2 326.444 3.285 20 30 EGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)c1cc(NC2CC2)[nH+]cn1 ZINC000413275673 458296614 /nfs/dbraw/zinc/29/66/14/458296614.db2.gz BHJYQNKETKNBRZ-UHFFFAOYSA-N 1 2 326.448 3.411 20 30 EGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)c1cc(NC2CC2)nc[nH+]1 ZINC000413275673 458296622 /nfs/dbraw/zinc/29/66/22/458296622.db2.gz BHJYQNKETKNBRZ-UHFFFAOYSA-N 1 2 326.448 3.411 20 30 EGEDLO C=CCC1(CNc2cc(N3CC[C@H]([C@H](C)O)C3)nc[nH+]2)CCCC1 ZINC000413313799 458296976 /nfs/dbraw/zinc/29/69/76/458296976.db2.gz HZNPYNDMIPRAMI-HOTGVXAUSA-N 1 2 330.476 3.232 20 30 EGEDLO C=CCC1(CNc2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)CCCC1 ZINC000413313799 458296978 /nfs/dbraw/zinc/29/69/78/458296978.db2.gz HZNPYNDMIPRAMI-HOTGVXAUSA-N 1 2 330.476 3.232 20 30 EGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCC(C)(C)CC#N)CC1 ZINC000459250080 458301996 /nfs/dbraw/zinc/30/19/96/458301996.db2.gz ZJAIQOJVZIXHDJ-AWEZNQCLSA-N 1 2 334.489 3.076 20 30 EGEDLO C=CC[N@@H+](CCc1ccccc1)CCS(=O)(=O)c1ccc(F)cc1 ZINC000447853133 458355668 /nfs/dbraw/zinc/35/56/68/458355668.db2.gz DPHNCGGMAICKHE-UHFFFAOYSA-N 1 2 347.455 3.330 20 30 EGEDLO C=CC[N@H+](CCc1ccccc1)CCS(=O)(=O)c1ccc(F)cc1 ZINC000447853133 458355674 /nfs/dbraw/zinc/35/56/74/458355674.db2.gz DPHNCGGMAICKHE-UHFFFAOYSA-N 1 2 347.455 3.330 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000417370290 458362515 /nfs/dbraw/zinc/36/25/15/458362515.db2.gz SGFUMAPDLZEHFQ-RBUKOAKNSA-N 1 2 329.407 3.433 20 30 EGEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(c2cc(Cl)ccc2C#N)C1 ZINC000418948523 458377291 /nfs/dbraw/zinc/37/72/91/458377291.db2.gz ORUNMXYTQUXQFO-SFHVURJKSA-N 1 2 349.862 3.112 20 30 EGEDLO C[C@@H]1C[C@]1(C#N)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000448688939 458405066 /nfs/dbraw/zinc/40/50/66/458405066.db2.gz FPERBINBZJBMJS-HNJNHCNJSA-N 1 2 349.837 3.282 20 30 EGEDLO C[C@H]1C[C@@]1(C#N)C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000448953982 458417693 /nfs/dbraw/zinc/41/76/93/458417693.db2.gz JPPRJMYKOKGNPJ-UGSOOPFHSA-N 1 2 340.452 3.263 20 30 EGEDLO C[C@H]1C[C@@]1(C#N)C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000448953982 458417696 /nfs/dbraw/zinc/41/76/96/458417696.db2.gz JPPRJMYKOKGNPJ-UGSOOPFHSA-N 1 2 340.452 3.263 20 30 EGEDLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@]2(C#N)C[C@@H]2C)CC1 ZINC000450382190 458446405 /nfs/dbraw/zinc/44/64/05/458446405.db2.gz WKCDSTQXQNRMIG-XOBRGWDASA-N 1 2 336.439 3.312 20 30 EGEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452334487 458499590 /nfs/dbraw/zinc/49/95/90/458499590.db2.gz NBMBMIJMMIQONO-GOSISDBHSA-N 1 2 338.411 3.133 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000437842720 458502009 /nfs/dbraw/zinc/50/20/09/458502009.db2.gz PVMIDNCQDZYNGS-OXQOHEQNSA-N 1 2 348.462 3.260 20 30 EGEDLO C=CC(C)(C)CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000454754870 458574259 /nfs/dbraw/zinc/57/42/59/458574259.db2.gz IKDNBMUGMPORIP-UHFFFAOYSA-N 1 2 328.416 3.296 20 30 EGEDLO C=CCn1cc(C[NH2+][C@H]2CCCOc3c(Cl)cc(C)cc32)nn1 ZINC000424299022 458608437 /nfs/dbraw/zinc/60/84/37/458608437.db2.gz UPBSLYCZTBYLLD-INIZCTEOSA-N 1 2 332.835 3.429 20 30 EGEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000456005388 458626850 /nfs/dbraw/zinc/62/68/50/458626850.db2.gz YFFRXCKWXYMVEW-QGZVFWFLSA-N 1 2 336.439 3.017 20 30 EGEDLO C=C[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000494221566 458642935 /nfs/dbraw/zinc/64/29/35/458642935.db2.gz YSNZDZBWAANUTK-QGZVFWFLSA-N 1 2 328.460 3.322 20 30 EGEDLO C=CCC1(CNC(=O)c2ccccc2C[NH+]2CCOCC2)CCCC1 ZINC000456487326 458692295 /nfs/dbraw/zinc/69/22/95/458692295.db2.gz OQDYPHSESGXPTO-UHFFFAOYSA-N 1 2 342.483 3.385 20 30 EGEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000503213596 458697636 /nfs/dbraw/zinc/69/76/36/458697636.db2.gz BZAIAZXQCRXVPC-KRWDZBQOSA-N 1 2 338.426 3.329 20 30 EGEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000503213596 458697645 /nfs/dbraw/zinc/69/76/45/458697645.db2.gz BZAIAZXQCRXVPC-KRWDZBQOSA-N 1 2 338.426 3.329 20 30 EGEDLO Cc1csc(N2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)n1 ZINC000439454581 458703322 /nfs/dbraw/zinc/70/33/22/458703322.db2.gz RWUMOBQDTFWAMA-UHFFFAOYSA-N 1 2 332.860 3.299 20 30 EGEDLO N#C[C@@H]1C[N@@H+](Cc2cc(Cl)cs2)C[C@@]12C(=O)Nc1ccccc12 ZINC000494934902 458768177 /nfs/dbraw/zinc/76/81/77/458768177.db2.gz XWAYKZAQUKVFMM-PIGZYNQJSA-N 1 2 343.839 3.247 20 30 EGEDLO N#C[C@@H]1C[N@H+](Cc2cc(Cl)cs2)C[C@@]12C(=O)Nc1ccccc12 ZINC000494934902 458768180 /nfs/dbraw/zinc/76/81/80/458768180.db2.gz XWAYKZAQUKVFMM-PIGZYNQJSA-N 1 2 343.839 3.247 20 30 EGEDLO C[C@@H](NC(=O)C[NH+]1CCC(F)(C#N)CC1)c1ccc2c(c1)CCCC2 ZINC000510874064 458775843 /nfs/dbraw/zinc/77/58/43/458775843.db2.gz XKIFRSRXVUDZFD-OAHLLOKOSA-N 1 2 343.446 3.070 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000495956301 459018637 /nfs/dbraw/zinc/01/86/37/459018637.db2.gz CEURIFGIIHYWIM-AWEZNQCLSA-N 1 2 347.434 3.434 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000495956301 459018641 /nfs/dbraw/zinc/01/86/41/459018641.db2.gz CEURIFGIIHYWIM-AWEZNQCLSA-N 1 2 347.434 3.434 20 30 EGEDLO C=CCNC(=O)C[N@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000519908625 459021410 /nfs/dbraw/zinc/02/14/10/459021410.db2.gz HNQQRKAQJUOBIB-UHFFFAOYSA-N 1 2 343.240 3.101 20 30 EGEDLO C=CCNC(=O)C[N@@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000519908625 459021415 /nfs/dbraw/zinc/02/14/15/459021415.db2.gz HNQQRKAQJUOBIB-UHFFFAOYSA-N 1 2 343.240 3.101 20 30 EGEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(SC2CCCC2)cc1 ZINC000567378396 459095982 /nfs/dbraw/zinc/09/59/82/459095982.db2.gz BUJIUAWZIAYDDL-INIZCTEOSA-N 1 2 333.501 3.340 20 30 EGEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(SC2CCCC2)cc1 ZINC000567378396 459095988 /nfs/dbraw/zinc/09/59/88/459095988.db2.gz BUJIUAWZIAYDDL-INIZCTEOSA-N 1 2 333.501 3.340 20 30 EGEDLO CCn1cc(C[N@H+](C)Cc2ccc(Br)cc2C#N)cn1 ZINC000558096829 459131185 /nfs/dbraw/zinc/13/11/85/459131185.db2.gz QYPZYBPNPZVEDQ-UHFFFAOYSA-N 1 2 333.233 3.169 20 30 EGEDLO N#Cc1csc(C[N@H+]2CCC[C@H]2COC(=O)NC2CCCCC2)n1 ZINC000496287970 459136489 /nfs/dbraw/zinc/13/64/89/459136489.db2.gz ZOJVOHHKLQHJHF-HNNXBMFYSA-N 1 2 348.472 3.038 20 30 EGEDLO N#Cc1csc(C[N@@H+]2CCC[C@H]2COC(=O)NC2CCCCC2)n1 ZINC000496287970 459136496 /nfs/dbraw/zinc/13/64/96/459136496.db2.gz ZOJVOHHKLQHJHF-HNNXBMFYSA-N 1 2 348.472 3.038 20 30 EGEDLO CC1(C)C[N@H+](CC(=O)NC2(C#N)CCCCC2)[C@@H]1c1cccs1 ZINC000558175619 459137322 /nfs/dbraw/zinc/13/73/22/459137322.db2.gz IELJVRFAXPGVTF-MRXNPFEDSA-N 1 2 331.485 3.474 20 30 EGEDLO CC1(C)C[N@@H+](CC(=O)NC2(C#N)CCCCC2)[C@@H]1c1cccs1 ZINC000558175619 459137330 /nfs/dbraw/zinc/13/73/30/459137330.db2.gz IELJVRFAXPGVTF-MRXNPFEDSA-N 1 2 331.485 3.474 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1NC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000521352898 459142719 /nfs/dbraw/zinc/14/27/19/459142719.db2.gz FYJPMJUELWPJNF-UAGQMJEPSA-N 1 2 344.459 3.234 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000496330340 459153402 /nfs/dbraw/zinc/15/34/02/459153402.db2.gz PYMIXWMGYBHJPK-IBGZPJMESA-N 1 2 347.434 3.434 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000496330340 459153410 /nfs/dbraw/zinc/15/34/10/459153410.db2.gz PYMIXWMGYBHJPK-IBGZPJMESA-N 1 2 347.434 3.434 20 30 EGEDLO C=CC[N@@H+](CCc1ccccc1)Cc1[nH]nc(C)c1C(=O)OCC ZINC000590602429 459158555 /nfs/dbraw/zinc/15/85/55/459158555.db2.gz NGRVKTGJINMXNV-UHFFFAOYSA-N 1 2 327.428 3.126 20 30 EGEDLO C=CC[N@H+](CCc1ccccc1)Cc1[nH]nc(C)c1C(=O)OCC ZINC000590602429 459158562 /nfs/dbraw/zinc/15/85/62/459158562.db2.gz NGRVKTGJINMXNV-UHFFFAOYSA-N 1 2 327.428 3.126 20 30 EGEDLO C=C1CC[NH+](CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)CC1 ZINC000533283493 459212819 /nfs/dbraw/zinc/21/28/19/459212819.db2.gz DYEHIIVWUVBFDY-UHFFFAOYSA-N 1 2 338.333 3.172 20 30 EGEDLO C=C1CC[NH+](CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)CC1 ZINC000533283493 459212826 /nfs/dbraw/zinc/21/28/26/459212826.db2.gz DYEHIIVWUVBFDY-UHFFFAOYSA-N 1 2 338.333 3.172 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000558867127 459217670 /nfs/dbraw/zinc/21/76/70/459217670.db2.gz UHGXDYLEXSZVRT-BEFAXECRSA-N 1 2 334.410 3.285 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000558867127 459217674 /nfs/dbraw/zinc/21/76/74/459217674.db2.gz UHGXDYLEXSZVRT-BEFAXECRSA-N 1 2 334.410 3.285 20 30 EGEDLO CCc1ccc([C@H]([NH2+]CCC#N)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000568254937 459259190 /nfs/dbraw/zinc/25/91/90/459259190.db2.gz WHISKUPOTUBNJZ-IBGZPJMESA-N 1 2 342.464 3.245 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)OCC ZINC000535156247 459354628 /nfs/dbraw/zinc/35/46/28/459354628.db2.gz NNQMEVTZFUHRBM-OJLWIZQOSA-N 1 2 342.483 3.215 20 30 EGEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595614488 459368335 /nfs/dbraw/zinc/36/83/35/459368335.db2.gz IJGPBAMJHVULRA-QWHCGFSZSA-N 1 2 335.835 3.301 20 30 EGEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595614488 459368336 /nfs/dbraw/zinc/36/83/36/459368336.db2.gz IJGPBAMJHVULRA-QWHCGFSZSA-N 1 2 335.835 3.301 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C1 ZINC000595617120 459370711 /nfs/dbraw/zinc/37/07/11/459370711.db2.gz USXNDEUEEORFAL-JTQLQIEISA-N 1 2 336.317 3.280 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C1 ZINC000595617120 459370714 /nfs/dbraw/zinc/37/07/14/459370714.db2.gz USXNDEUEEORFAL-JTQLQIEISA-N 1 2 336.317 3.280 20 30 EGEDLO COc1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)cc1F ZINC000595629110 459374707 /nfs/dbraw/zinc/37/47/07/459374707.db2.gz CIMIXVQLENKEHS-UHFFFAOYSA-N 1 2 331.416 3.090 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595784546 459438588 /nfs/dbraw/zinc/43/85/88/459438588.db2.gz BGCRXBWFZIGIJL-OTWHNJEPSA-N 1 2 342.439 3.053 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595784546 459438595 /nfs/dbraw/zinc/43/85/95/459438595.db2.gz BGCRXBWFZIGIJL-OTWHNJEPSA-N 1 2 342.439 3.053 20 30 EGEDLO CC[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1nnc2n1CCCCC2 ZINC000595805755 459447979 /nfs/dbraw/zinc/44/79/79/459447979.db2.gz AGJYVYIUGJOKRL-INIZCTEOSA-N 1 2 327.407 3.256 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000541701075 459480163 /nfs/dbraw/zinc/48/01/63/459480163.db2.gz JTDZQGBVBJXKGP-ICSRJNTNSA-N 1 2 344.499 3.133 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000541701075 459480171 /nfs/dbraw/zinc/48/01/71/459480171.db2.gz JTDZQGBVBJXKGP-ICSRJNTNSA-N 1 2 344.499 3.133 20 30 EGEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)C2(C#N)CC(C)C2)CC1 ZINC000526023931 459534894 /nfs/dbraw/zinc/53/48/94/459534894.db2.gz BIPOVNBKMXOLQR-UHFFFAOYSA-N 1 2 336.439 3.448 20 30 EGEDLO C=C(C)CNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000488595826 459546790 /nfs/dbraw/zinc/54/67/90/459546790.db2.gz NBRQBLATGBSZLY-HNNXBMFYSA-N 1 2 339.842 3.491 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000572732805 459583078 /nfs/dbraw/zinc/58/30/78/459583078.db2.gz PUUSQQUQPWWZOI-JQWIXIFHSA-N 1 2 328.243 3.452 20 30 EGEDLO C#CCN(C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21)C1CCCCC1 ZINC000490840400 459588371 /nfs/dbraw/zinc/58/83/71/459588371.db2.gz OCFIKWHMDYZZEB-MRXNPFEDSA-N 1 2 328.460 3.046 20 30 EGEDLO Cc1cc(C#N)cc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000583736702 459588635 /nfs/dbraw/zinc/58/86/35/459588635.db2.gz ZFJBGDZUDHWBQU-UHFFFAOYSA-N 1 2 340.452 3.278 20 30 EGEDLO C#CCN1C(=O)c2ccccc2N[C@@H]1c1cc(-n2cc[nH+]c2)cs1 ZINC000490932870 459591135 /nfs/dbraw/zinc/59/11/35/459591135.db2.gz BICWEGHPMPNMFJ-KRWDZBQOSA-N 1 2 334.404 3.134 20 30 EGEDLO N#CC1(NC(=O)C[NH2+]C2(c3c(Cl)cccc3Cl)CC2)CCC1 ZINC000527127848 459595993 /nfs/dbraw/zinc/59/59/93/459595993.db2.gz IVHISPJYRLGOOD-UHFFFAOYSA-N 1 2 338.238 3.135 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)/C=C\c1ccc(C#N)cc1)C2 ZINC000491419884 459624761 /nfs/dbraw/zinc/62/47/61/459624761.db2.gz RCIWTYGMAKKAEE-NLZINVLXSA-N 1 2 348.450 3.197 20 30 EGEDLO C#C[C@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)C(C)(C)C ZINC000491420086 459624817 /nfs/dbraw/zinc/62/48/17/459624817.db2.gz WTBASOYLYBNGPM-KRWDZBQOSA-N 1 2 330.476 3.133 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@@H](CC)c2ccc(F)cc2F)n1 ZINC000491426648 459626109 /nfs/dbraw/zinc/62/61/09/459626109.db2.gz HDYLYRRWMHRKKM-IBGZPJMESA-N 1 2 347.409 3.394 20 30 EGEDLO C#CCn1ccc(C[N@H+](CCOC)[C@@H](CC)c2ccc(F)cc2F)n1 ZINC000491426648 459626113 /nfs/dbraw/zinc/62/61/13/459626113.db2.gz HDYLYRRWMHRKKM-IBGZPJMESA-N 1 2 347.409 3.394 20 30 EGEDLO CN(Cc1cncc(C[N@H+](C)CC(C)(C)C#N)c1)CC(C)(C)C#N ZINC000562703797 459627085 /nfs/dbraw/zinc/62/70/85/459627085.db2.gz ALKMXYIJSKARFU-UHFFFAOYSA-N 1 2 327.476 3.045 20 30 EGEDLO CN(Cc1cncc(C[N@@H+](C)CC(C)(C)C#N)c1)CC(C)(C)C#N ZINC000562703797 459627087 /nfs/dbraw/zinc/62/70/87/459627087.db2.gz ALKMXYIJSKARFU-UHFFFAOYSA-N 1 2 327.476 3.045 20 30 EGEDLO C#C[C@H]([NH2+]Cc1c(Br)cnn1C)c1ccc(Cl)cc1 ZINC000491651562 459647199 /nfs/dbraw/zinc/64/71/99/459647199.db2.gz HSDFVEXERFWLPE-ZDUSSCGKSA-N 1 2 338.636 3.300 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(C)c(Cl)c2)n1 ZINC000491809178 459677536 /nfs/dbraw/zinc/67/75/36/459677536.db2.gz XCLOUUHKQRIGHS-UHFFFAOYSA-N 1 2 331.847 3.127 20 30 EGEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(C)c(Cl)c2)n1 ZINC000491809178 459677542 /nfs/dbraw/zinc/67/75/42/459677542.db2.gz XCLOUUHKQRIGHS-UHFFFAOYSA-N 1 2 331.847 3.127 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000596591261 459687287 /nfs/dbraw/zinc/68/72/87/459687287.db2.gz JITATRXLQFCOFD-DOTOQJQBSA-N 1 2 340.471 3.196 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000596591261 459687292 /nfs/dbraw/zinc/68/72/92/459687292.db2.gz JITATRXLQFCOFD-DOTOQJQBSA-N 1 2 340.471 3.196 20 30 EGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)/C=C\c1[nH+]ccn1CC ZINC000492317877 459701005 /nfs/dbraw/zinc/70/10/05/459701005.db2.gz KYDWXZMRRLHPCS-KHPPLWFESA-N 1 2 325.412 3.140 20 30 EGEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000573576787 459701214 /nfs/dbraw/zinc/70/12/14/459701214.db2.gz PUYWTCLMOCAEGF-GDBMZVCRSA-N 1 2 339.443 3.098 20 30 EGEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)/C=C\c1[nH+]ccn1CC ZINC000492494354 459707628 /nfs/dbraw/zinc/70/76/28/459707628.db2.gz QMTURPQYQMANAA-HJWRWDBZSA-N 1 2 340.383 3.039 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000584329164 459711371 /nfs/dbraw/zinc/71/13/71/459711371.db2.gz IEULFXXZORYYLZ-PBHICJAKSA-N 1 2 335.411 3.209 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCc1csc2ccccc12 ZINC000563220569 459741457 /nfs/dbraw/zinc/74/14/57/459741457.db2.gz RCCLILRXRNVFLA-SFHVURJKSA-N 1 2 329.469 3.184 20 30 EGEDLO N#Cc1cc(F)c(N2CCC(n3cc[nH+]c3)CC2)cc1Br ZINC000573841966 459744539 /nfs/dbraw/zinc/74/45/39/459744539.db2.gz RUDUSSUJXXYFLI-UHFFFAOYSA-N 1 2 349.207 3.498 20 30 EGEDLO N#CCCOCC[NH+]1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000593051774 459755536 /nfs/dbraw/zinc/75/55/36/459755536.db2.gz CXRRFIOAKMWXGZ-UHFFFAOYSA-N 1 2 328.243 3.046 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](OC(C)C)C2)c(C#N)c1C ZINC000593055373 459758314 /nfs/dbraw/zinc/75/83/14/459758314.db2.gz KOQKSIPLLAZYBH-AWEZNQCLSA-N 1 2 335.473 3.065 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](OC(C)C)C2)c(C#N)c1C ZINC000593055373 459758316 /nfs/dbraw/zinc/75/83/16/459758316.db2.gz KOQKSIPLLAZYBH-AWEZNQCLSA-N 1 2 335.473 3.065 20 30 EGEDLO C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1c(Cl)cccc1Cl ZINC000593154356 459790637 /nfs/dbraw/zinc/79/06/37/459790637.db2.gz HVAOYHDYOJPHLA-MEBBXXQBSA-N 1 2 328.243 3.057 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](c3cccnc3)C2)c(C#N)c1C ZINC000566178420 459820002 /nfs/dbraw/zinc/82/00/02/459820002.db2.gz YIRQHNMTYPSGEL-OAHLLOKOSA-N 1 2 340.452 3.060 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](c3cccnc3)C2)c(C#N)c1C ZINC000566178420 459820008 /nfs/dbraw/zinc/82/00/08/459820008.db2.gz YIRQHNMTYPSGEL-OAHLLOKOSA-N 1 2 340.452 3.060 20 30 EGEDLO COc1ccc2[nH+]c(N3CCN(c4ccccc4C#N)CC3)ccc2c1 ZINC000608779197 459882026 /nfs/dbraw/zinc/88/20/26/459882026.db2.gz QLOOIGIKQONVKR-UHFFFAOYSA-N 1 2 344.418 3.442 20 30 EGEDLO Cc1ccc2[nH]c3c(c2c1)C[N@H+](CC(=O)Nc1ccc(C#N)cc1)CC3 ZINC000609196132 459922586 /nfs/dbraw/zinc/92/25/86/459922586.db2.gz ZYYKWXCYPOPOGY-UHFFFAOYSA-N 1 2 344.418 3.345 20 30 EGEDLO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)CC3 ZINC000609196132 459922595 /nfs/dbraw/zinc/92/25/95/459922595.db2.gz ZYYKWXCYPOPOGY-UHFFFAOYSA-N 1 2 344.418 3.345 20 30 EGEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)CCCCCC#N)CC1 ZINC000588257064 459939576 /nfs/dbraw/zinc/93/95/76/459939576.db2.gz NAJGETHLQLQGLX-UHFFFAOYSA-N 1 2 343.471 3.122 20 30 EGEDLO CC(C)[N@H+](CCC#N)Cc1ccc(I)s1 ZINC000602449514 459943841 /nfs/dbraw/zinc/94/38/41/459943841.db2.gz SFZSLXBVMNHCOY-UHFFFAOYSA-N 1 2 334.226 3.477 20 30 EGEDLO CC(C)[N@@H+](CCC#N)Cc1ccc(I)s1 ZINC000602449514 459943846 /nfs/dbraw/zinc/94/38/46/459943846.db2.gz SFZSLXBVMNHCOY-UHFFFAOYSA-N 1 2 334.226 3.477 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(OCC2CCCCC2)cc1 ZINC000575186247 459944395 /nfs/dbraw/zinc/94/43/95/459944395.db2.gz ZBPUXCBXNGRTDH-HXUWFJFHSA-N 1 2 343.471 3.219 20 30 EGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](Cc1cccc(C#N)n1)C1CC1 ZINC000602473890 459955872 /nfs/dbraw/zinc/95/58/72/459955872.db2.gz LRMUGDXYLSJLHE-HXUWFJFHSA-N 1 2 349.434 3.092 20 30 EGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](Cc1cccc(C#N)n1)C1CC1 ZINC000602473890 459955879 /nfs/dbraw/zinc/95/58/79/459955879.db2.gz LRMUGDXYLSJLHE-HXUWFJFHSA-N 1 2 349.434 3.092 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](OC3CCC3)C2)c(C#N)c1C ZINC000594026900 460062419 /nfs/dbraw/zinc/06/24/19/460062419.db2.gz PRDVIMBRZFHNCQ-CJNGLKHVSA-N 1 2 345.443 3.129 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](OC3CCC3)C2)c(C#N)c1C ZINC000594026900 460062425 /nfs/dbraw/zinc/06/24/25/460062425.db2.gz PRDVIMBRZFHNCQ-CJNGLKHVSA-N 1 2 345.443 3.129 20 30 EGEDLO C=CCC[C@@H]([NH2+][C@@H]1CCc2cc(OC)c(OC)cc21)C(=O)OCC ZINC000602681327 460063599 /nfs/dbraw/zinc/06/35/99/460063599.db2.gz OLMCTMSQXBPWRZ-HZPDHXFCSA-N 1 2 333.428 3.179 20 30 EGEDLO Cn1c2ccc(NC(=O)c3cc(O)cc(C#N)c3)cc2[nH+]c1C1CC1 ZINC000614302571 460085897 /nfs/dbraw/zinc/08/58/97/460085897.db2.gz DFTAASBJDOJKDU-UHFFFAOYSA-N 1 2 332.363 3.280 20 30 EGEDLO Cc1csc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C#N ZINC000594107359 460105051 /nfs/dbraw/zinc/10/50/51/460105051.db2.gz IJMHPHZIEUYOHH-SMDDNHRTSA-N 1 2 329.429 3.240 20 30 EGEDLO Cc1csc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1C#N ZINC000594107358 460105126 /nfs/dbraw/zinc/10/51/26/460105126.db2.gz IJMHPHZIEUYOHH-RISCZKNCSA-N 1 2 329.429 3.240 20 30 EGEDLO N#CCC1(C[NH+]2CCN(Cc3nc4ccccc4s3)CC2)CC1 ZINC000602782623 460122349 /nfs/dbraw/zinc/12/23/49/460122349.db2.gz IPCXWIADUONGDO-UHFFFAOYSA-N 1 2 326.469 3.108 20 30 EGEDLO Cc1ccn2cc(CNC(=O)N[C@@H](C)c3cccc(C#N)c3)[nH+]c2c1 ZINC000610354045 460132360 /nfs/dbraw/zinc/13/23/60/460132360.db2.gz MTSHLXOUKMRNKG-AWEZNQCLSA-N 1 2 333.395 3.075 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000576409419 460135881 /nfs/dbraw/zinc/13/58/81/460135881.db2.gz SDHGNLGDVLHVKV-MAUKXSAKSA-N 1 2 345.443 3.375 20 30 EGEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000602868203 460164590 /nfs/dbraw/zinc/16/45/90/460164590.db2.gz HVGYLNJEZHFJDN-AUUYWEPGSA-N 1 2 339.464 3.114 20 30 EGEDLO C=CCN(CCc1ccccc1)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000576539625 460165250 /nfs/dbraw/zinc/16/52/50/460165250.db2.gz VWVCRJVIJDNVPG-GOSISDBHSA-N 1 2 338.455 3.312 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC2(CCSCC2)CC1 ZINC000602945630 460196813 /nfs/dbraw/zinc/19/68/13/460196813.db2.gz HWSLWTXLUXWQFE-UHFFFAOYSA-N 1 2 335.498 3.167 20 30 EGEDLO CC[N@@H+](Cc1c(F)cccc1F)C[C@@H](O)COc1ccccc1C#N ZINC000599280166 460217129 /nfs/dbraw/zinc/21/71/29/460217129.db2.gz XRJNJMLEVMQGDC-OAHLLOKOSA-N 1 2 346.377 3.098 20 30 EGEDLO CC[N@H+](Cc1c(F)cccc1F)C[C@@H](O)COc1ccccc1C#N ZINC000599280166 460217137 /nfs/dbraw/zinc/21/71/37/460217137.db2.gz XRJNJMLEVMQGDC-OAHLLOKOSA-N 1 2 346.377 3.098 20 30 EGEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000614992516 460259114 /nfs/dbraw/zinc/25/91/14/460259114.db2.gz FGBZIIIAANWHFU-LJQANCHMSA-N 1 2 345.368 3.486 20 30 EGEDLO Cc1cccn2cc(Cn3cc(CC4(C#N)CCCCC4)nn3)[nH+]c12 ZINC000603202043 460263612 /nfs/dbraw/zinc/26/36/12/460263612.db2.gz APSSMKMYZOYDHM-UHFFFAOYSA-N 1 2 334.427 3.299 20 30 EGEDLO C=CCC1(NC(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)CCCC1 ZINC000619110833 460272416 /nfs/dbraw/zinc/27/24/16/460272416.db2.gz QBIJOCFFDWUGCW-LBPRGKRZSA-N 1 2 329.366 3.461 20 30 EGEDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000611516871 460384751 /nfs/dbraw/zinc/38/47/51/460384751.db2.gz ZFHAQMIYBSDRDB-QAPCUYQASA-N 1 2 330.432 3.130 20 30 EGEDLO N#Cc1cccc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1 ZINC000611551326 460395784 /nfs/dbraw/zinc/39/57/84/460395784.db2.gz KEQMXLHFRUTFGO-FQEVSTJZSA-N 1 2 334.398 3.080 20 30 EGEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000619716753 460421192 /nfs/dbraw/zinc/42/11/92/460421192.db2.gz CKBNCGRWWREXKS-SFHVURJKSA-N 1 2 328.412 3.084 20 30 EGEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000613655115 461027441 /nfs/dbraw/zinc/02/74/41/461027441.db2.gz ASPAGKRGLDVXER-KRWDZBQOSA-N 1 2 329.403 3.101 20 30 EGEDLO C=CCOc1c(Cl)cc(C[NH+]2CC(C)(COC)C2)cc1OC ZINC000628307630 461083300 /nfs/dbraw/zinc/08/33/00/461083300.db2.gz UPLXFYFUJCRYHT-UHFFFAOYSA-N 1 2 325.836 3.382 20 30 EGEDLO C=CCN(C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[C@H](C)COC ZINC000665975537 461383759 /nfs/dbraw/zinc/38/37/59/461383759.db2.gz PRELRWNZKRLETB-CQSZACIVSA-N 1 2 328.416 3.142 20 30 EGEDLO C=CC[N@@H+](CC(=O)c1c[nH]c2ncc(Br)cc12)C1CC1 ZINC000660169983 461618975 /nfs/dbraw/zinc/61/89/75/461618975.db2.gz NISZILOSPFUZHG-UHFFFAOYSA-N 1 2 334.217 3.159 20 30 EGEDLO C=CC[N@H+](CC(=O)c1c[nH]c2ncc(Br)cc12)C1CC1 ZINC000660169983 461618982 /nfs/dbraw/zinc/61/89/82/461618982.db2.gz NISZILOSPFUZHG-UHFFFAOYSA-N 1 2 334.217 3.159 20 30 EGEDLO C=CCCn1cc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)nn1 ZINC000653525134 461699448 /nfs/dbraw/zinc/69/94/48/461699448.db2.gz BSACDDASKSCEOY-IBGZPJMESA-N 1 2 344.434 3.175 20 30 EGEDLO C=CCCn1cc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)nn1 ZINC000653525134 461699452 /nfs/dbraw/zinc/69/94/52/461699452.db2.gz BSACDDASKSCEOY-IBGZPJMESA-N 1 2 344.434 3.175 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@H](C)COC ZINC000661239969 462165408 /nfs/dbraw/zinc/16/54/08/462165408.db2.gz JZZXCUQDXBCAID-LLVKDONJSA-N 1 2 331.243 3.455 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@H](C)COC ZINC000661239969 462165415 /nfs/dbraw/zinc/16/54/15/462165415.db2.gz JZZXCUQDXBCAID-LLVKDONJSA-N 1 2 331.243 3.455 20 30 EGEDLO C=CC[N@H+](Cc1nc(COc2cc(C)cc(C)c2)no1)[C@@H](C)COC ZINC000661243258 462167726 /nfs/dbraw/zinc/16/77/26/462167726.db2.gz ZCICLZXPHKWEQY-INIZCTEOSA-N 1 2 345.443 3.288 20 30 EGEDLO C=CC[N@@H+](Cc1nc(COc2cc(C)cc(C)c2)no1)[C@@H](C)COC ZINC000661243258 462167731 /nfs/dbraw/zinc/16/77/31/462167731.db2.gz ZCICLZXPHKWEQY-INIZCTEOSA-N 1 2 345.443 3.288 20 30 EGEDLO CCc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000012506055 522505175 /nfs/dbraw/zinc/50/51/75/522505175.db2.gz OWPJYYILIFFXFN-MRXNPFEDSA-N 1 2 335.407 3.105 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000187130513 527618590 /nfs/dbraw/zinc/61/85/90/527618590.db2.gz CJPUAEANCIPURO-LJQANCHMSA-N 1 2 329.444 3.080 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1OCCc2sccc21 ZINC000329081628 547489920 /nfs/dbraw/zinc/48/99/20/547489920.db2.gz RUIQWERKCJBNPC-HWWQOWPSSA-N 1 2 331.441 3.166 20 30 EGEDLO Cn1c[nH+]cc1CNC(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000349934677 547648419 /nfs/dbraw/zinc/64/84/19/547648419.db2.gz ODCHFHACQHGSGY-UHFFFAOYSA-N 1 2 330.391 3.142 20 30 EGEDLO CCOc1ccc(/C=[NH+]/CCc2ccc(NC(C)=O)cc2)c(O)c1 ZINC000728786229 574771459 /nfs/dbraw/zinc/77/14/59/574771459.db2.gz XEOKCGLHLQMLGM-DEDYPNTBSA-N 1 2 326.396 3.411 20 30 EGEDLO C=CCNC(=S)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000731944063 575221715 /nfs/dbraw/zinc/22/17/15/575221715.db2.gz QQNDGTGTRPPZAO-AWEZNQCLSA-N 1 2 341.883 3.094 20 30 EGEDLO C=CCNC(=S)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000731944063 575221717 /nfs/dbraw/zinc/22/17/17/575221717.db2.gz QQNDGTGTRPPZAO-AWEZNQCLSA-N 1 2 341.883 3.094 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000732209275 575245174 /nfs/dbraw/zinc/24/51/74/575245174.db2.gz JMTDJIPKMTXAOY-UWVAXJGDSA-N 1 2 330.472 3.262 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000732209275 575245176 /nfs/dbraw/zinc/24/51/76/575245176.db2.gz JMTDJIPKMTXAOY-UWVAXJGDSA-N 1 2 330.472 3.262 20 30 EGEDLO C[C@H]1C[NH+](Cc2ccccc2C#N)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000733201896 575319534 /nfs/dbraw/zinc/31/95/34/575319534.db2.gz PDFUSDPWQPEKBN-GJZGRUSLSA-N 1 2 329.444 3.388 20 30 EGEDLO C[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000733201897 575319575 /nfs/dbraw/zinc/31/95/75/575319575.db2.gz PDFUSDPWQPEKBN-HUUCEWRRSA-N 1 2 329.444 3.388 20 30 EGEDLO C=CC[N@@H+](Cc1ncc(C(C)C)o1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735426778 575659875 /nfs/dbraw/zinc/65/98/75/575659875.db2.gz WOYQIKDDIBPLCM-UHFFFAOYSA-N 1 2 338.415 3.166 20 30 EGEDLO C=CC[N@H+](Cc1ncc(C(C)C)o1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735426778 575659877 /nfs/dbraw/zinc/65/98/77/575659877.db2.gz WOYQIKDDIBPLCM-UHFFFAOYSA-N 1 2 338.415 3.166 20 30 EGEDLO C#CCNC(=O)C[N@H+](Cc1ccco1)Cc1cc2cc(C)ccc2o1 ZINC000739913926 576518698 /nfs/dbraw/zinc/51/86/98/576518698.db2.gz UIWXHEBRKITRAQ-UHFFFAOYSA-N 1 2 336.391 3.086 20 30 EGEDLO C#CCNC(=O)C[N@@H+](Cc1ccco1)Cc1cc2cc(C)ccc2o1 ZINC000739913926 576518701 /nfs/dbraw/zinc/51/87/01/576518701.db2.gz UIWXHEBRKITRAQ-UHFFFAOYSA-N 1 2 336.391 3.086 20 30 EGEDLO C=CC[N@@H+](CCCS(=O)(=O)C(C)(C)C)Cc1ccc(OC)cc1 ZINC000877983998 1299685380 /nfs/dbraw/zinc/68/53/80/1299685380.db2.gz ZFDVFJFGZODVHR-UHFFFAOYSA-N 1 2 339.501 3.287 20 30 EGEDLO C=CC[N@H+](CCCS(=O)(=O)C(C)(C)C)Cc1ccc(OC)cc1 ZINC000877983998 1299685388 /nfs/dbraw/zinc/68/53/88/1299685388.db2.gz ZFDVFJFGZODVHR-UHFFFAOYSA-N 1 2 339.501 3.287 20 30 EGEDLO C#Cc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000033242644 1291384785 /nfs/dbraw/zinc/38/47/85/1291384785.db2.gz NTLQKGWDUPPPRZ-UHFFFAOYSA-N 1 2 332.319 3.014 20 30 EGEDLO C=C(Br)C[N@@H+](C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000831818532 1292921720 /nfs/dbraw/zinc/92/17/20/1292921720.db2.gz HGFDGMLRNMASQK-UHFFFAOYSA-N 1 2 333.270 3.274 20 30 EGEDLO C=C(Br)C[N@H+](C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000831818532 1292921730 /nfs/dbraw/zinc/92/17/30/1292921730.db2.gz HGFDGMLRNMASQK-UHFFFAOYSA-N 1 2 333.270 3.274 20 30 EGEDLO C=CCC[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000834903346 1293171453 /nfs/dbraw/zinc/17/14/53/1293171453.db2.gz HTOWHUGSHFKZJT-MWLCHTKSSA-N 1 2 332.213 3.272 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](CC)CCCC)c1=S ZINC000152156474 1293957139 /nfs/dbraw/zinc/95/71/39/1293957139.db2.gz ZFPOMMZKOQGHQH-UHFFFAOYSA-N 1 2 332.477 3.137 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](CC)CCCC)c1=S ZINC000152156474 1293957142 /nfs/dbraw/zinc/95/71/42/1293957142.db2.gz ZFPOMMZKOQGHQH-UHFFFAOYSA-N 1 2 332.477 3.137 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2CC[C@H](C)[C@@H]2CC)c1=S ZINC000184990151 1295234264 /nfs/dbraw/zinc/23/42/64/1295234264.db2.gz FNAVBTKYPNVYMK-ZFWWWQNUSA-N 1 2 344.488 3.135 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2CC[C@H](C)[C@@H]2CC)c1=S ZINC000184990151 1295234273 /nfs/dbraw/zinc/23/42/73/1295234273.db2.gz FNAVBTKYPNVYMK-ZFWWWQNUSA-N 1 2 344.488 3.135 20 30 EGEDLO CC#CCCCC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000185682028 1295279283 /nfs/dbraw/zinc/27/92/83/1295279283.db2.gz NGPVDCUYVSLLQP-UHFFFAOYSA-N 1 2 327.472 3.031 20 30 EGEDLO CCCCCCCS(=O)(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000195134885 1296041016 /nfs/dbraw/zinc/04/10/16/1296041016.db2.gz DQXOKXVGALQJMM-UHFFFAOYSA-N 1 2 335.473 3.262 20 30 EGEDLO CCOc1ccc(C(C)=O)cc1CO[NH+]=C(N)Cc1ccccc1 ZINC000195560868 1296075657 /nfs/dbraw/zinc/07/56/57/1296075657.db2.gz FRRHMTMWWLAWAF-UHFFFAOYSA-N 1 2 326.396 3.319 20 30 EGEDLO C#C[C@H](C)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000309123705 1297072868 /nfs/dbraw/zinc/07/28/68/1297072868.db2.gz OTBZXWAKIWYWAC-ZETCQYMHSA-N 1 2 333.023 3.029 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](CC)C2)c1=S ZINC000746383830 1298576879 /nfs/dbraw/zinc/57/68/79/1298576879.db2.gz VXPYGEFYBFCSDD-WBVHZDCISA-N 1 2 343.500 3.468 20 30 EGEDLO C=CCn1nnn(C[N@H+]2CC[C@H](c3ccccc3)[C@H](CC)C2)c1=S ZINC000746383830 1298576884 /nfs/dbraw/zinc/57/68/84/1298576884.db2.gz VXPYGEFYBFCSDD-WBVHZDCISA-N 1 2 343.500 3.468 20 30 EGEDLO CCN(C)c1ccc(C(C)=[NH+]NC(=S)Nc2cccnc2)cc1 ZINC000748075761 1298921531 /nfs/dbraw/zinc/92/15/31/1298921531.db2.gz GZUHBGCROPPXGV-UHFFFAOYSA-N 1 2 327.457 3.248 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)Cn1nc(C(=O)OC)c2ccccc21 ZINC000748086948 1298926269 /nfs/dbraw/zinc/92/62/69/1298926269.db2.gz XPPGIKNBULOHDB-UHFFFAOYSA-N 1 2 342.443 3.432 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)Cn1nc(C(=O)OC)c2ccccc21 ZINC000748086948 1298926274 /nfs/dbraw/zinc/92/62/74/1298926274.db2.gz XPPGIKNBULOHDB-UHFFFAOYSA-N 1 2 342.443 3.432 20 30 EGEDLO C[C@H](CC1(C#N)CCOCC1)[NH2+]c1ccc(N2CCO[C@H](C)C2)cc1 ZINC000876866810 1299041370 /nfs/dbraw/zinc/04/13/70/1299041370.db2.gz XQYSCMXFWJVCBC-IAGOWNOFSA-N 1 2 343.471 3.423 20 30 EGEDLO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000749845124 1299286165 /nfs/dbraw/zinc/28/61/65/1299286165.db2.gz OZUWLWDYKWKIAD-LBPRGKRZSA-N 1 2 331.416 3.231 20 30 EGEDLO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000749845124 1299286173 /nfs/dbraw/zinc/28/61/73/1299286173.db2.gz OZUWLWDYKWKIAD-LBPRGKRZSA-N 1 2 331.416 3.231 20 30 EGEDLO COCCC(Cc1cccc(F)c1)=[NH+]n1cc(Br)cn1 ZINC000752742480 1299785394 /nfs/dbraw/zinc/78/53/94/1299785394.db2.gz DQXBLNUBCISVNU-UHFFFAOYSA-N 1 2 340.196 3.268 20 30 EGEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCO[C@H](C(C)(C)C)C1)c1ccccc1 ZINC000878532676 1300054456 /nfs/dbraw/zinc/05/44/56/1300054456.db2.gz YDNHZUGYKKULCC-ICSRJNTNSA-N 1 2 328.456 3.174 20 30 EGEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCO[C@H](C(C)(C)C)C1)c1ccccc1 ZINC000878532676 1300054468 /nfs/dbraw/zinc/05/44/68/1300054468.db2.gz YDNHZUGYKKULCC-ICSRJNTNSA-N 1 2 328.456 3.174 20 30 EGEDLO N#Cc1c2c(cn(C[NH+]3CCC(C4CCCC4)CC3)c1=O)CCC2 ZINC000766637788 1302493361 /nfs/dbraw/zinc/49/33/61/1302493361.db2.gz QEAIYKKVZGIDPW-UHFFFAOYSA-N 1 2 325.456 3.068 20 30 EGEDLO N#CCCNC(=O)C[N@H+]1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000769222629 1303075496 /nfs/dbraw/zinc/07/54/96/1303075496.db2.gz UIYUDBIBQNRFSY-OAHLLOKOSA-N 1 2 339.361 3.262 20 30 EGEDLO N#CCCNC(=O)C[N@@H+]1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000769222629 1303075499 /nfs/dbraw/zinc/07/54/99/1303075499.db2.gz UIYUDBIBQNRFSY-OAHLLOKOSA-N 1 2 339.361 3.262 20 30 EGEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000769975905 1303201380 /nfs/dbraw/zinc/20/13/80/1303201380.db2.gz OBGOYWPBVUGCLV-OAHLLOKOSA-N 1 2 338.455 3.062 20 30 EGEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000769975905 1303201388 /nfs/dbraw/zinc/20/13/88/1303201388.db2.gz OBGOYWPBVUGCLV-OAHLLOKOSA-N 1 2 338.455 3.062 20 30 EGEDLO N#CCn1c(C(=O)OCc2cccc3[nH+]ccn32)cc2ccccc21 ZINC000770924089 1303332735 /nfs/dbraw/zinc/33/27/35/1303332735.db2.gz BLMBFIGXBZBGLP-UHFFFAOYSA-N 1 2 330.347 3.170 20 30 EGEDLO C#CCCCCC(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000773329949 1303662809 /nfs/dbraw/zinc/66/28/09/1303662809.db2.gz UXBLANNPYLJSLK-UHFFFAOYSA-N 1 2 349.438 3.455 20 30 EGEDLO COC(=O)c1ccccc1N[NH+]=Cc1ccc(N(C)CCC#N)cc1 ZINC000776189349 1304109182 /nfs/dbraw/zinc/10/91/82/1304109182.db2.gz HAGLLPOCSPXYOP-UHFFFAOYSA-N 1 2 336.395 3.269 20 30 EGEDLO N#CCc1ccccc1CC(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000777167100 1304260819 /nfs/dbraw/zinc/26/08/19/1304260819.db2.gz KSNYUZDFYZYMMH-UHFFFAOYSA-N 1 2 331.375 3.224 20 30 EGEDLO CC1(C#N)CC[NH+](Cc2ccccc2I)CC1 ZINC000780781418 1304737868 /nfs/dbraw/zinc/73/78/68/1304737868.db2.gz BGQKIJXMYJUIMJ-UHFFFAOYSA-N 1 2 340.208 3.417 20 30 EGEDLO N#CCC1CC[NH+](Cn2ncc3c2cccc3Br)CC1 ZINC000781571341 1304844319 /nfs/dbraw/zinc/84/43/19/1304844319.db2.gz DVHSVDZVSLWHCV-UHFFFAOYSA-N 1 2 333.233 3.382 20 30 EGEDLO CN(C)c1cc(Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)cc[nH+]1 ZINC000782112793 1304918246 /nfs/dbraw/zinc/91/82/46/1304918246.db2.gz UZTFLOUDWZDCLP-UHFFFAOYSA-N 1 2 338.798 3.036 20 30 EGEDLO CC(C)(C)OCCCO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949043 1305027860 /nfs/dbraw/zinc/02/78/60/1305027860.db2.gz AQVIPYVMUXDPRV-UHFFFAOYSA-N 1 2 329.238 3.291 20 30 EGEDLO N#Cc1ccccc1CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782947548 1305028047 /nfs/dbraw/zinc/02/80/47/1305028047.db2.gz BBEJCPPDAHUHHJ-UHFFFAOYSA-N 1 2 330.185 3.158 20 30 EGEDLO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cc(Br)ncc1F ZINC000783299304 1305079040 /nfs/dbraw/zinc/07/90/40/1305079040.db2.gz ASJOFGVLOOSKNV-VIFPVBQESA-N 1 2 335.180 3.101 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cccc(OC(F)(F)F)c2)n1 ZINC000789758286 1306212128 /nfs/dbraw/zinc/21/21/28/1306212128.db2.gz IVTZDDACBHNRPA-UHFFFAOYSA-N 1 2 337.345 3.437 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cccc(OC(F)(F)F)c2)n1 ZINC000789758286 1306212136 /nfs/dbraw/zinc/21/21/36/1306212136.db2.gz IVTZDDACBHNRPA-UHFFFAOYSA-N 1 2 337.345 3.437 20 30 EGEDLO COc1cc([N+](=O)[O-])ccc1N[NH+]=Cc1ccc(N(C)C(C)C)nc1 ZINC000790165925 1306270415 /nfs/dbraw/zinc/27/04/15/1306270415.db2.gz XQPYGDKXQZBXMG-UHFFFAOYSA-N 1 2 343.387 3.289 20 30 EGEDLO CC(C)CC[N@H+](CCC#N)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000790294389 1306291532 /nfs/dbraw/zinc/29/15/32/1306291532.db2.gz MZZLRRJBRCYVNY-LJQANCHMSA-N 1 2 327.472 3.439 20 30 EGEDLO CC(C)CC[N@@H+](CCC#N)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000790294389 1306291539 /nfs/dbraw/zinc/29/15/39/1306291539.db2.gz MZZLRRJBRCYVNY-LJQANCHMSA-N 1 2 327.472 3.439 20 30 EGEDLO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](CCNC(=O)OC(C)(C)C)C(F)F ZINC000894695817 1309025888 /nfs/dbraw/zinc/02/58/88/1309025888.db2.gz USPKPIXIFOESNM-NEPJUHHUSA-N 1 2 333.423 3.453 20 30 EGEDLO Cn1c[nH+]cc1CCOC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000793241659 1309327339 /nfs/dbraw/zinc/32/73/39/1309327339.db2.gz LXAXFDAERKYVCD-UHFFFAOYSA-N 1 2 346.390 3.435 20 30 EGEDLO C#Cc1cccc(N(C)C(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)c1 ZINC000793414713 1309368363 /nfs/dbraw/zinc/36/83/63/1309368363.db2.gz XSACQWRCUVDDRX-UHFFFAOYSA-N 1 2 339.345 3.267 20 30 EGEDLO N#Cc1c(=O)n(C[N@H+](Cc2cccs2)C2CC2)cc2c1CCCC2 ZINC000793483889 1309383584 /nfs/dbraw/zinc/38/35/84/1309383584.db2.gz OXJRYSRFOMQRJE-UHFFFAOYSA-N 1 2 339.464 3.282 20 30 EGEDLO N#Cc1c(=O)n(C[N@@H+](Cc2cccs2)C2CC2)cc2c1CCCC2 ZINC000793483889 1309383588 /nfs/dbraw/zinc/38/35/88/1309383588.db2.gz OXJRYSRFOMQRJE-UHFFFAOYSA-N 1 2 339.464 3.282 20 30 EGEDLO COc1ccc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)c(OC)c1 ZINC000794690965 1309577030 /nfs/dbraw/zinc/57/70/30/1309577030.db2.gz LNFWCXJPSLYFFQ-BQYQJAHWSA-N 1 2 332.425 3.118 20 30 EGEDLO CCn1c[nH+]c2c1CCN(c1cc(Br)c(C#N)cc1F)C2 ZINC000896655111 1309959622 /nfs/dbraw/zinc/95/96/22/1309959622.db2.gz SQROLOAENYEDNU-UHFFFAOYSA-N 1 2 349.207 3.239 20 30 EGEDLO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000897171930 1310208674 /nfs/dbraw/zinc/20/86/74/1310208674.db2.gz QJANOOFQUDOQBW-OAHLLOKOSA-N 1 2 340.452 3.493 20 30 EGEDLO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000897171930 1310208680 /nfs/dbraw/zinc/20/86/80/1310208680.db2.gz QJANOOFQUDOQBW-OAHLLOKOSA-N 1 2 340.452 3.493 20 30 EGEDLO Cc1cccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1C ZINC000798274972 1310332371 /nfs/dbraw/zinc/33/23/71/1310332371.db2.gz LTJFFYZJVPLDRC-IRXDYDNUSA-N 1 2 329.444 3.152 20 30 EGEDLO CC[NH+](CC)Cc1csc(NC(=O)c2cccc(F)c2C#N)n1 ZINC000898313341 1310673870 /nfs/dbraw/zinc/67/38/70/1310673870.db2.gz YMRBRCXDACABJP-UHFFFAOYSA-N 1 2 332.404 3.248 20 30 EGEDLO Cc1[nH+]c(C(C)N=Nc2ncnc3sc4c(c32)CCC4)cn1C ZINC000800806775 1310809085 /nfs/dbraw/zinc/80/90/85/1310809085.db2.gz KYIDZDUPIMZNBR-UHFFFAOYSA-N 1 2 326.429 3.058 20 30 EGEDLO CCOC(=O)c1oc2c(c1C)C(=O)/C(=C/c1[nH]c(C)c(C)[nH+]1)CC2 ZINC000901457106 1317429187 /nfs/dbraw/zinc/42/91/87/1317429187.db2.gz FVZSOUOFSFKLFM-XYOKQWHBSA-N 1 2 328.368 3.317 20 30 EGEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1ccc(N2CCC(O)CC2)cc1 ZINC000901474387 1317433780 /nfs/dbraw/zinc/43/37/80/1317433780.db2.gz YRSMULMXFGLKOS-BQYQJAHWSA-N 1 2 339.439 3.321 20 30 EGEDLO Cn1c[nH+]cc1/C=C/C(=O)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000901485829 1317434973 /nfs/dbraw/zinc/43/49/73/1317434973.db2.gz QFHHUOVZHVIWEY-MOEXGYKKSA-N 1 2 344.386 3.403 20 30 EGEDLO C#CC[N@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1OC ZINC000809716146 1317873453 /nfs/dbraw/zinc/87/34/53/1317873453.db2.gz KSXGHEWBLZUKLH-UHFFFAOYSA-N 1 2 325.408 3.348 20 30 EGEDLO C#CC[N@@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1OC ZINC000809716146 1317873459 /nfs/dbraw/zinc/87/34/59/1317873459.db2.gz KSXGHEWBLZUKLH-UHFFFAOYSA-N 1 2 325.408 3.348 20 30 EGEDLO O=C(Cc1c[nH+]cn1Cc1ccccc1)OCC#Cc1ccc(F)cc1 ZINC000811328585 1318155346 /nfs/dbraw/zinc/15/53/46/1318155346.db2.gz QGEQYDSAAQFWIB-UHFFFAOYSA-N 1 2 348.377 3.208 20 30 EGEDLO C=CC[N@@H+](CCc1ccccc1)CN1C(=O)C(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000811737614 1318246724 /nfs/dbraw/zinc/24/67/24/1318246724.db2.gz OWHHHSALXDXCGF-RBUKOAKNSA-N 1 2 342.483 3.091 20 30 EGEDLO C=CC[N@H+](CCc1ccccc1)CN1C(=O)C(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000811737614 1318246734 /nfs/dbraw/zinc/24/67/34/1318246734.db2.gz OWHHHSALXDXCGF-RBUKOAKNSA-N 1 2 342.483 3.091 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccccc1)CN1C(=O)C(C)(C)[C@H]1[C@H]1CCCO1 ZINC000811770027 1318259783 /nfs/dbraw/zinc/25/97/83/1318259783.db2.gz KMAZDMRGPGSEPM-RTBURBONSA-N 1 2 342.483 3.438 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccccc1)CN1C(=O)C(C)(C)[C@H]1[C@H]1CCCO1 ZINC000811770027 1318259789 /nfs/dbraw/zinc/25/97/89/1318259789.db2.gz KMAZDMRGPGSEPM-RTBURBONSA-N 1 2 342.483 3.438 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccccc1)CN1C(=O)C(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000811770025 1318260791 /nfs/dbraw/zinc/26/07/91/1318260791.db2.gz KMAZDMRGPGSEPM-OALUTQOASA-N 1 2 342.483 3.438 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccccc1)CN1C(=O)C(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000811770025 1318260798 /nfs/dbraw/zinc/26/07/98/1318260798.db2.gz KMAZDMRGPGSEPM-OALUTQOASA-N 1 2 342.483 3.438 20 30 EGEDLO CC(C)=CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000960383522 1318511507 /nfs/dbraw/zinc/51/15/07/1318511507.db2.gz JXFVVFKBLOKKDM-SFHVURJKSA-N 1 2 329.419 3.086 20 30 EGEDLO CC(C)=CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000960383522 1318511514 /nfs/dbraw/zinc/51/15/14/1318511514.db2.gz JXFVVFKBLOKKDM-SFHVURJKSA-N 1 2 329.419 3.086 20 30 EGEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1csc(C(C)(C)C)n1 ZINC000960504324 1318612670 /nfs/dbraw/zinc/61/26/70/1318612670.db2.gz WEUJELODMIKOKL-DZGCQCFKSA-N 1 2 348.516 3.023 20 30 EGEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1csc(C(C)(C)C)n1 ZINC000960504324 1318612680 /nfs/dbraw/zinc/61/26/80/1318612680.db2.gz WEUJELODMIKOKL-DZGCQCFKSA-N 1 2 348.516 3.023 20 30 EGEDLO CC1CC(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000960537926 1318663302 /nfs/dbraw/zinc/66/33/02/1318663302.db2.gz WIUJJJAFPYSXLY-GSQSYGFSSA-N 1 2 343.446 3.166 20 30 EGEDLO CC1CC(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000960537926 1318663311 /nfs/dbraw/zinc/66/33/11/1318663311.db2.gz WIUJJJAFPYSXLY-GSQSYGFSSA-N 1 2 343.446 3.166 20 30 EGEDLO C=C(C)C[N@@H+](C)CN1C(=O)C[C@@](C)(c2ccc(C(C)C)cc2)C1=O ZINC000814219995 1318702907 /nfs/dbraw/zinc/70/29/07/1318702907.db2.gz UQCRTRXNPWUIDF-FQEVSTJZSA-N 1 2 328.456 3.292 20 30 EGEDLO C=C(C)C[N@H+](C)CN1C(=O)C[C@@](C)(c2ccc(C(C)C)cc2)C1=O ZINC000814219995 1318702915 /nfs/dbraw/zinc/70/29/15/1318702915.db2.gz UQCRTRXNPWUIDF-FQEVSTJZSA-N 1 2 328.456 3.292 20 30 EGEDLO CCC(=[NH+]NC(=S)Nc1ccc(N(C)C)cc1)c1cccc(N)c1 ZINC000814838202 1318828035 /nfs/dbraw/zinc/82/80/35/1318828035.db2.gz DHMVSKQVCCCXHH-UHFFFAOYSA-N 1 2 341.484 3.436 20 30 EGEDLO FC(F)(F)[C@H]1C=C([NH2+]Nc2nnc(-c3ccccn3)s2)CCO1 ZINC000814911146 1318847644 /nfs/dbraw/zinc/84/76/44/1318847644.db2.gz UTBLCPPUDWCPEN-SNVBAGLBSA-N 1 2 343.334 3.109 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCN1C(=O)C1(C)CCC1 ZINC000960794244 1318904287 /nfs/dbraw/zinc/90/42/87/1318904287.db2.gz YTDMSFXZNXMPEK-GOSISDBHSA-N 1 2 343.446 3.310 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCN1C(=O)C1(C)CCC1 ZINC000960794244 1318904292 /nfs/dbraw/zinc/90/42/92/1318904292.db2.gz YTDMSFXZNXMPEK-GOSISDBHSA-N 1 2 343.446 3.310 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ncc(CC)o1 ZINC000960830387 1318959579 /nfs/dbraw/zinc/95/95/79/1318959579.db2.gz BHFAOFKGWIUXGU-KXBFYZLASA-N 1 2 333.476 3.262 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ncc(CC)o1 ZINC000960830387 1318959585 /nfs/dbraw/zinc/95/95/85/1318959585.db2.gz BHFAOFKGWIUXGU-KXBFYZLASA-N 1 2 333.476 3.262 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2nc(C)cs2)C1 ZINC000960844688 1318979581 /nfs/dbraw/zinc/97/95/81/1318979581.db2.gz ACVPAUCYWYSFBT-HNNXBMFYSA-N 1 2 333.501 3.231 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2nc(C)cs2)C1 ZINC000960844688 1318979586 /nfs/dbraw/zinc/97/95/86/1318979586.db2.gz ACVPAUCYWYSFBT-HNNXBMFYSA-N 1 2 333.501 3.231 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2csc(C)n2)C1 ZINC000960848905 1318987627 /nfs/dbraw/zinc/98/76/27/1318987627.db2.gz DEIVTMSMZSGLMU-MRXNPFEDSA-N 1 2 333.501 3.231 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2csc(C)n2)C1 ZINC000960848905 1318987635 /nfs/dbraw/zinc/98/76/35/1318987635.db2.gz DEIVTMSMZSGLMU-MRXNPFEDSA-N 1 2 333.501 3.231 20 30 EGEDLO C#CCC(C)(C)C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000816396871 1319148029 /nfs/dbraw/zinc/14/80/29/1319148029.db2.gz WPCUALBHLJQMSX-OAHLLOKOSA-N 1 2 327.472 3.480 20 30 EGEDLO C#CCC(C)(C)C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000816396871 1319148034 /nfs/dbraw/zinc/14/80/34/1319148034.db2.gz WPCUALBHLJQMSX-OAHLLOKOSA-N 1 2 327.472 3.480 20 30 EGEDLO C[C@H]1CCC[C@@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C1 ZINC000914728552 1319370611 /nfs/dbraw/zinc/37/06/11/1319370611.db2.gz BCMXTDDSGZGJTF-UONOGXRCSA-N 1 2 338.455 3.225 20 30 EGEDLO Fc1ccccc1NC(=S)NN=C1CCN(c2cccc[nH+]2)CC1 ZINC000915937391 1319565503 /nfs/dbraw/zinc/56/55/03/1319565503.db2.gz POYTXGOJTBDUBF-UHFFFAOYSA-N 1 2 343.431 3.164 20 30 EGEDLO C=CC[N@H+](CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)C(C)C ZINC000917481181 1319819587 /nfs/dbraw/zinc/81/95/87/1319819587.db2.gz COFJLYMVQYYCKX-HXUWFJFHSA-N 1 2 341.455 3.014 20 30 EGEDLO C=CC[N@@H+](CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)C(C)C ZINC000917481181 1319819592 /nfs/dbraw/zinc/81/95/92/1319819592.db2.gz COFJLYMVQYYCKX-HXUWFJFHSA-N 1 2 341.455 3.014 20 30 EGEDLO C#C[C@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000820572004 1319914111 /nfs/dbraw/zinc/91/41/11/1319914111.db2.gz AAXKPPPTVKZSKC-IRXDYDNUSA-N 1 2 342.830 3.258 20 30 EGEDLO C[C@H](c1ncccn1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000930464566 1328863921 /nfs/dbraw/zinc/86/39/21/1328863921.db2.gz VPPSRQYWMNDCMI-CYBMUJFWSA-N 1 2 326.375 3.092 20 30 EGEDLO C=CCOc1ccc(CC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000822725956 1320118369 /nfs/dbraw/zinc/11/83/69/1320118369.db2.gz LAFGMTGZZXEOII-SFHVURJKSA-N 1 2 341.455 3.222 20 30 EGEDLO C#CCN(C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(C)C ZINC000930555740 1328895924 /nfs/dbraw/zinc/89/59/24/1328895924.db2.gz NYPBAQHZRYIRLQ-UHFFFAOYSA-N 1 2 334.423 3.477 20 30 EGEDLO CC1(C)C[N@H+](C[C@H](O)CC#N)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000930569397 1328900212 /nfs/dbraw/zinc/90/02/12/1328900212.db2.gz RZOOFGRDUCRRKM-CABCVRRESA-N 1 2 342.361 3.132 20 30 EGEDLO CC1(C)C[N@@H+](C[C@H](O)CC#N)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000930569397 1328900214 /nfs/dbraw/zinc/90/02/14/1328900214.db2.gz RZOOFGRDUCRRKM-CABCVRRESA-N 1 2 342.361 3.132 20 30 EGEDLO C#CC[C@H]([NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1)C(=O)OC ZINC000839167112 1320883672 /nfs/dbraw/zinc/88/36/72/1320883672.db2.gz CCNNQKOQUFBDGU-BPUTZDHNSA-N 1 2 339.357 3.496 20 30 EGEDLO C#CC[C@H]([NH2+]CCCCc1cccc(C(F)(F)F)c1)C(=O)OC ZINC000839169651 1320883914 /nfs/dbraw/zinc/88/39/14/1320883914.db2.gz URBHXZSGQJSNLP-HNNXBMFYSA-N 1 2 327.346 3.183 20 30 EGEDLO C[C@@H](CC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)n1cc[nH+]c1 ZINC000845463067 1321710130 /nfs/dbraw/zinc/71/01/30/1321710130.db2.gz QWQUWFMOSLGVTG-CMPLNLGQSA-N 1 2 328.372 3.459 20 30 EGEDLO C=C[C@@H](C)ONC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000845619203 1321724506 /nfs/dbraw/zinc/72/45/06/1321724506.db2.gz DUUDMPKMWUZHIF-CQSZACIVSA-N 1 2 348.834 3.254 20 30 EGEDLO CCOCN(C(=O)C[NH2+][C@@H](CC)CC#N)c1c(C)cccc1CC ZINC000846980759 1321830156 /nfs/dbraw/zinc/83/01/56/1321830156.db2.gz IPWNMQYJMZMJIW-KRWDZBQOSA-N 1 2 331.460 3.166 20 30 EGEDLO C=C(CNC(=O)N1CCC(Nc2cccc[nH+]2)CC1)c1ccccc1 ZINC000922482405 1322539491 /nfs/dbraw/zinc/53/94/91/1322539491.db2.gz LVVRROXRAMGLNI-UHFFFAOYSA-N 1 2 336.439 3.381 20 30 EGEDLO N#Cc1ccccc1/C=C/C(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851398691 1323031141 /nfs/dbraw/zinc/03/11/41/1323031141.db2.gz YHJNZNMRVJBKJS-CMDGGOBGSA-N 1 2 347.418 3.426 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC000852775934 1323240010 /nfs/dbraw/zinc/24/00/10/1323240010.db2.gz GJNMTRAFCPOOAW-IYBDPMFKSA-N 1 2 345.418 3.281 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC000852775934 1323240016 /nfs/dbraw/zinc/24/00/16/1323240016.db2.gz GJNMTRAFCPOOAW-IYBDPMFKSA-N 1 2 345.418 3.281 20 30 EGEDLO O=C(NC[C@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl)C1CCC1 ZINC001024295966 1323271092 /nfs/dbraw/zinc/27/10/92/1323271092.db2.gz BXBIHVMIIFDPTI-GOSISDBHSA-N 1 2 344.886 3.462 20 30 EGEDLO O=C(NC[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1Cl)C1CCC1 ZINC001024295966 1323271097 /nfs/dbraw/zinc/27/10/97/1323271097.db2.gz BXBIHVMIIFDPTI-GOSISDBHSA-N 1 2 344.886 3.462 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccco2)ccc1F ZINC001024303228 1323287093 /nfs/dbraw/zinc/28/70/93/1323287093.db2.gz JJBDMMDNFKAJTR-INIZCTEOSA-N 1 2 341.386 3.075 20 30 EGEDLO N#Cc1cc(C[N@H+]2CCCC[C@H]2CNC(=O)c2ccco2)ccc1F ZINC001024303228 1323287100 /nfs/dbraw/zinc/28/71/00/1323287100.db2.gz JJBDMMDNFKAJTR-INIZCTEOSA-N 1 2 341.386 3.075 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001024326688 1323311005 /nfs/dbraw/zinc/31/10/05/1323311005.db2.gz NDJIJMMHQQYKCT-HUUCEWRRSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001024326688 1323311011 /nfs/dbraw/zinc/31/10/11/1323311011.db2.gz NDJIJMMHQQYKCT-HUUCEWRRSA-N 1 2 341.293 3.222 20 30 EGEDLO CC1(C)C[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001024398415 1323369868 /nfs/dbraw/zinc/36/98/68/1323369868.db2.gz NRZLPQBCLGRUTE-IRXDYDNUSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)C[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001024398415 1323369875 /nfs/dbraw/zinc/36/98/75/1323369875.db2.gz NRZLPQBCLGRUTE-IRXDYDNUSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1nc(C(C)C)oc1C ZINC001024437056 1323397856 /nfs/dbraw/zinc/39/78/56/1323397856.db2.gz MHVIATOEICXAJA-AWEZNQCLSA-N 1 2 339.867 3.443 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1nc(C(C)C)oc1C ZINC001024437056 1323397862 /nfs/dbraw/zinc/39/78/62/1323397862.db2.gz MHVIATOEICXAJA-AWEZNQCLSA-N 1 2 339.867 3.443 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccnn1[C@@H](C)CC ZINC001024469258 1323424744 /nfs/dbraw/zinc/42/47/44/1323424744.db2.gz WKNXAGDSDLIFLG-LSDHHAIUSA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccnn1[C@@H](C)CC ZINC001024469258 1323424762 /nfs/dbraw/zinc/42/47/62/1323424762.db2.gz WKNXAGDSDLIFLG-LSDHHAIUSA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccsc1COC ZINC001024509761 1323457083 /nfs/dbraw/zinc/45/70/83/1323457083.db2.gz ZWGLEYCGADKMAG-ZDUSSCGKSA-N 1 2 342.892 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccsc1COC ZINC001024509761 1323457090 /nfs/dbraw/zinc/45/70/90/1323457090.db2.gz ZWGLEYCGADKMAG-ZDUSSCGKSA-N 1 2 342.892 3.231 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C)cc1OC ZINC001024767578 1323666619 /nfs/dbraw/zinc/66/66/19/1323666619.db2.gz FDCFYEWABVJNAE-HNNXBMFYSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C)cc1OC ZINC001024767578 1323666627 /nfs/dbraw/zinc/66/66/27/1323666627.db2.gz FDCFYEWABVJNAE-HNNXBMFYSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1occ2c1CCCC2 ZINC001024779136 1323682430 /nfs/dbraw/zinc/68/24/30/1323682430.db2.gz BCKIUAMVOGTKIQ-OAHLLOKOSA-N 1 2 336.863 3.495 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1occ2c1CCCC2 ZINC001024779136 1323682440 /nfs/dbraw/zinc/68/24/40/1323682440.db2.gz BCKIUAMVOGTKIQ-OAHLLOKOSA-N 1 2 336.863 3.495 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCCC[C@H]1C[NH2+]Cc1nc(C2CC2)no1 ZINC001025039401 1323841810 /nfs/dbraw/zinc/84/18/10/1323841810.db2.gz NHBIDOPJKLYFJU-HNNXBMFYSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nnc(C2CC2)o1 ZINC001025069825 1323870951 /nfs/dbraw/zinc/87/09/51/1323870951.db2.gz PZHDDGOYVIKCSK-DNVCBOLYSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](Cc3nncs3)C2)CC1 ZINC001025520828 1324366107 /nfs/dbraw/zinc/36/61/07/1324366107.db2.gz AXMOOOYBLKYTJT-GDBMZVCRSA-N 1 2 348.516 3.001 20 30 EGEDLO C=C1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](Cc3nncs3)C2)CC1 ZINC001025520828 1324366114 /nfs/dbraw/zinc/36/61/14/1324366114.db2.gz AXMOOOYBLKYTJT-GDBMZVCRSA-N 1 2 348.516 3.001 20 30 EGEDLO NC(=[NH+]OCCC1(O)CCC1)c1ccc(OCc2ccccc2)cc1 ZINC000853657630 1325142849 /nfs/dbraw/zinc/14/28/49/1325142849.db2.gz DXZQULDVPKEBMJ-UHFFFAOYSA-N 1 2 340.423 3.208 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)c2ccoc2C)C1 ZINC001027289914 1325422811 /nfs/dbraw/zinc/42/28/11/1325422811.db2.gz LKPSWGRAACFMNZ-ZDUSSCGKSA-N 1 2 341.249 3.033 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccoc2C)C1 ZINC001027289914 1325422817 /nfs/dbraw/zinc/42/28/17/1325422817.db2.gz LKPSWGRAACFMNZ-ZDUSSCGKSA-N 1 2 341.249 3.033 20 30 EGEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2csc(C(C)(C)C)n2)C1 ZINC001027330507 1325488323 /nfs/dbraw/zinc/48/83/23/1325488323.db2.gz RKWFHWOJGOBNQA-DZGCQCFKSA-N 1 2 348.516 3.023 20 30 EGEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2csc(C(C)(C)C)n2)C1 ZINC001027330507 1325488329 /nfs/dbraw/zinc/48/83/29/1325488329.db2.gz RKWFHWOJGOBNQA-DZGCQCFKSA-N 1 2 348.516 3.023 20 30 EGEDLO C[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)C1CCC1 ZINC000964614377 1325580407 /nfs/dbraw/zinc/58/04/07/1325580407.db2.gz UXYOMNHTSGBWKT-DNVCBOLYSA-N 1 2 344.886 3.318 20 30 EGEDLO C[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)C1CCC1 ZINC000964614377 1325580414 /nfs/dbraw/zinc/58/04/14/1325580414.db2.gz UXYOMNHTSGBWKT-DNVCBOLYSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1csc(C(C)C)n1 ZINC001028207020 1340484262 /nfs/dbraw/zinc/48/42/62/1340484262.db2.gz ZGMRSHJAGJZNSU-LBPRGKRZSA-N 1 2 327.881 3.213 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1csc(C(C)C)n1 ZINC001028207020 1340484267 /nfs/dbraw/zinc/48/42/67/1340484267.db2.gz ZGMRSHJAGJZNSU-LBPRGKRZSA-N 1 2 327.881 3.213 20 30 EGEDLO C[C@H]1CC[N@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)c1cccs1 ZINC000964831864 1327718757 /nfs/dbraw/zinc/71/87/57/1327718757.db2.gz AGWQZBPPBBFZCB-WMZOPIPTSA-N 1 2 338.476 3.240 20 30 EGEDLO C[C@H]1CC[N@@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)c1cccs1 ZINC000964831864 1327718761 /nfs/dbraw/zinc/71/87/61/1327718761.db2.gz AGWQZBPPBBFZCB-WMZOPIPTSA-N 1 2 338.476 3.240 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2nc(C)c(C)o2)C1 ZINC001027517563 1327787639 /nfs/dbraw/zinc/78/76/39/1327787639.db2.gz FEANUJADKJHDMY-MRXNPFEDSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2nc(C)c(C)o2)C1 ZINC001027517563 1327787643 /nfs/dbraw/zinc/78/76/43/1327787643.db2.gz FEANUJADKJHDMY-MRXNPFEDSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2ccc(F)cc2F)C1 ZINC000966239625 1328234129 /nfs/dbraw/zinc/23/41/29/1328234129.db2.gz WOWUBJULUWNVHW-BDJLRTHQSA-N 1 2 342.817 3.086 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2ccc(F)cc2F)C1 ZINC000966239625 1328234135 /nfs/dbraw/zinc/23/41/35/1328234135.db2.gz WOWUBJULUWNVHW-BDJLRTHQSA-N 1 2 342.817 3.086 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001027885475 1328354150 /nfs/dbraw/zinc/35/41/50/1328354150.db2.gz AABVOJYTLXBJKH-KURKYZTESA-N 1 2 348.874 3.240 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001027885475 1328354158 /nfs/dbraw/zinc/35/41/58/1328354158.db2.gz AABVOJYTLXBJKH-KURKYZTESA-N 1 2 348.874 3.240 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC000966722336 1328392150 /nfs/dbraw/zinc/39/21/50/1328392150.db2.gz LVXHSEVHWIGYFS-BONVTDFDSA-N 1 2 328.790 3.158 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC000966722336 1328392158 /nfs/dbraw/zinc/39/21/58/1328392158.db2.gz LVXHSEVHWIGYFS-BONVTDFDSA-N 1 2 328.790 3.158 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC001028022166 1328484364 /nfs/dbraw/zinc/48/43/64/1328484364.db2.gz IMCJJKRYZFCCFS-HNNXBMFYSA-N 1 2 348.874 3.303 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC001028022166 1328484368 /nfs/dbraw/zinc/48/43/68/1328484368.db2.gz IMCJJKRYZFCCFS-HNNXBMFYSA-N 1 2 348.874 3.303 20 30 EGEDLO C=CCSc1nc2ccccc2n1C[N@@H+]1CCO[C@H](COCC)C1 ZINC000863310925 1329545316 /nfs/dbraw/zinc/54/53/16/1329545316.db2.gz VKMRIQGGDBPNLJ-HNNXBMFYSA-N 1 2 347.484 3.009 20 30 EGEDLO C=CCSc1nc2ccccc2n1C[N@H+]1CCO[C@H](COCC)C1 ZINC000863310925 1329545317 /nfs/dbraw/zinc/54/53/17/1329545317.db2.gz VKMRIQGGDBPNLJ-HNNXBMFYSA-N 1 2 347.484 3.009 20 30 EGEDLO C#CC[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)C(C)C ZINC000932396550 1329811319 /nfs/dbraw/zinc/81/13/19/1329811319.db2.gz QKMGIVHQTLSNSM-UHFFFAOYSA-N 1 2 345.187 3.009 20 30 EGEDLO C#CC[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)C(C)C ZINC000932396550 1329811317 /nfs/dbraw/zinc/81/13/17/1329811317.db2.gz QKMGIVHQTLSNSM-UHFFFAOYSA-N 1 2 345.187 3.009 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](C/C(Cl)=C\Cl)C[C@H]2C)C1 ZINC000942607750 1332004442 /nfs/dbraw/zinc/00/44/42/1332004442.db2.gz KJXIIWAYTQRDDN-ZMCCTTKHSA-N 1 2 331.287 3.488 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](C/C(Cl)=C\Cl)C[C@H]2C)C1 ZINC000942607750 1332004445 /nfs/dbraw/zinc/00/44/45/1332004445.db2.gz KJXIIWAYTQRDDN-ZMCCTTKHSA-N 1 2 331.287 3.488 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3nnc(C)s3)[C@H](C)C2)CC1 ZINC000947684123 1333221647 /nfs/dbraw/zinc/22/16/47/1333221647.db2.gz GBCFGTHGYSHQFB-CZUORRHYSA-N 1 2 348.516 3.062 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3nnc(C)s3)[C@H](C)C2)CC1 ZINC000947684123 1333221650 /nfs/dbraw/zinc/22/16/50/1333221650.db2.gz GBCFGTHGYSHQFB-CZUORRHYSA-N 1 2 348.516 3.062 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1sccc1F ZINC000948915807 1333732011 /nfs/dbraw/zinc/73/20/11/1333732011.db2.gz FFDJSBPUBKBDMS-INIZCTEOSA-N 1 2 330.428 3.402 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1sccc1F ZINC000948915807 1333732014 /nfs/dbraw/zinc/73/20/14/1333732014.db2.gz FFDJSBPUBKBDMS-INIZCTEOSA-N 1 2 330.428 3.402 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1coc(C(F)F)c1 ZINC000948953749 1333746095 /nfs/dbraw/zinc/74/60/95/1333746095.db2.gz GKHHPDJKZCEWAG-INIZCTEOSA-N 1 2 344.361 3.180 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1coc(C(F)F)c1 ZINC000948953749 1333746098 /nfs/dbraw/zinc/74/60/98/1333746098.db2.gz GKHHPDJKZCEWAG-INIZCTEOSA-N 1 2 344.361 3.180 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(F)cc1C ZINC000948982821 1333758899 /nfs/dbraw/zinc/75/88/99/1333758899.db2.gz QLPNPLBKYVWREW-HXUWFJFHSA-N 1 2 336.410 3.097 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(F)cc1C ZINC000948982821 1333758902 /nfs/dbraw/zinc/75/89/02/1333758902.db2.gz QLPNPLBKYVWREW-HXUWFJFHSA-N 1 2 336.410 3.097 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC2(CC1)C[N@H+](C/C=C/Cl)CCO2 ZINC000949462774 1333853271 /nfs/dbraw/zinc/85/32/71/1333853271.db2.gz JEHXIUTWNKFVOB-NADMHLTPSA-N 1 2 340.895 3.035 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC2(CC1)C[N@@H+](C/C=C/Cl)CCO2 ZINC000949462774 1333853272 /nfs/dbraw/zinc/85/32/72/1333853272.db2.gz JEHXIUTWNKFVOB-NADMHLTPSA-N 1 2 340.895 3.035 20 30 EGEDLO C#Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)cc1 ZINC000949597327 1333881321 /nfs/dbraw/zinc/88/13/21/1333881321.db2.gz VBNSPCBKOJOWIT-KRWDZBQOSA-N 1 2 348.446 3.196 20 30 EGEDLO C[C@H]1CC[C@@H](CC(=O)N2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000949734699 1333908326 /nfs/dbraw/zinc/90/83/26/1333908326.db2.gz VFCATTHLKATLPA-DLBZAZTESA-N 1 2 325.456 3.029 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2coc3ccc(OC)cc23)C1 ZINC000950839061 1334140682 /nfs/dbraw/zinc/14/06/82/1334140682.db2.gz QJUBUCMCIAVSGK-UHFFFAOYSA-N 1 2 328.412 3.164 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(F)c2F)C1 ZINC000968063011 1335850679 /nfs/dbraw/zinc/85/06/79/1335850679.db2.gz WDIMIRIIGWAXFG-HZMBPMFUSA-N 1 2 328.790 3.158 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(F)c2F)C1 ZINC000968063011 1335850684 /nfs/dbraw/zinc/85/06/84/1335850684.db2.gz WDIMIRIIGWAXFG-HZMBPMFUSA-N 1 2 328.790 3.158 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC000968344799 1335895676 /nfs/dbraw/zinc/89/56/76/1335895676.db2.gz FGUSHHINXLSTDM-MLGOLLRUSA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC000968344799 1335895677 /nfs/dbraw/zinc/89/56/77/1335895677.db2.gz FGUSHHINXLSTDM-MLGOLLRUSA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC000968354706 1335900512 /nfs/dbraw/zinc/90/05/12/1335900512.db2.gz VRRHXIYBKUSYMJ-BXUZGUMPSA-N 1 2 334.838 3.391 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC000968354706 1335900515 /nfs/dbraw/zinc/90/05/15/1335900515.db2.gz VRRHXIYBKUSYMJ-BXUZGUMPSA-N 1 2 334.838 3.391 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc3ccccn3c2)C1 ZINC000968381892 1335911151 /nfs/dbraw/zinc/91/11/51/1335911151.db2.gz GYDZCORWHZDVKY-CXAGYDPISA-N 1 2 331.847 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc3ccccn3c2)C1 ZINC000968381892 1335911153 /nfs/dbraw/zinc/91/11/53/1335911153.db2.gz GYDZCORWHZDVKY-CXAGYDPISA-N 1 2 331.847 3.132 20 30 EGEDLO C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc3cc(C)ccc3s2)C1 ZINC000968489918 1335939729 /nfs/dbraw/zinc/93/97/29/1335939729.db2.gz WUUAVEZAHDLYJJ-GDBMZVCRSA-N 1 2 326.465 3.283 20 30 EGEDLO C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc3cc(C)ccc3s2)C1 ZINC000968489918 1335939732 /nfs/dbraw/zinc/93/97/32/1335939732.db2.gz WUUAVEZAHDLYJJ-GDBMZVCRSA-N 1 2 326.465 3.283 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2c[nH]c3ccccc23)C1 ZINC000968568603 1335962116 /nfs/dbraw/zinc/96/21/16/1335962116.db2.gz BJAXVJHHODSZCY-FZKQIMNGSA-N 1 2 345.874 3.290 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2c[nH]c3ccccc23)C1 ZINC000968568603 1335962119 /nfs/dbraw/zinc/96/21/19/1335962119.db2.gz BJAXVJHHODSZCY-FZKQIMNGSA-N 1 2 345.874 3.290 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2OCC)C1 ZINC000968599557 1335979876 /nfs/dbraw/zinc/97/98/76/1335979876.db2.gz YTUKTBOXACLMQB-BBRMVZONSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2OCC)C1 ZINC000968599557 1335979880 /nfs/dbraw/zinc/97/98/80/1335979880.db2.gz YTUKTBOXACLMQB-BBRMVZONSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1ocnc1C1CC1 ZINC000969025276 1336121472 /nfs/dbraw/zinc/12/14/72/1336121472.db2.gz MJIHXQFGAWDZIC-AWEZNQCLSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1ocnc1C1CC1 ZINC000969025276 1336121474 /nfs/dbraw/zinc/12/14/74/1336121474.db2.gz MJIHXQFGAWDZIC-AWEZNQCLSA-N 1 2 337.851 3.279 20 30 EGEDLO C#Cc1ccc(C(=O)N2CCCC[C@@H]2CCNc2cc[nH+]c(C)n2)cc1 ZINC001063843685 1352040822 /nfs/dbraw/zinc/04/08/22/1352040822.db2.gz SZKIZSLJZSREAY-LJQANCHMSA-N 1 2 348.450 3.263 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1oc(CC)nc1C ZINC000969106214 1336146228 /nfs/dbraw/zinc/14/62/28/1336146228.db2.gz WAPFNBAKXLFQAW-AWEZNQCLSA-N 1 2 339.867 3.272 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1oc(CC)nc1C ZINC000969106214 1336146236 /nfs/dbraw/zinc/14/62/36/1336146236.db2.gz WAPFNBAKXLFQAW-AWEZNQCLSA-N 1 2 339.867 3.272 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000969676556 1336236188 /nfs/dbraw/zinc/23/61/88/1336236188.db2.gz GCSJGABHTLWURU-OLMNPRSZSA-N 1 2 348.874 3.096 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccoc2C(F)(F)F)C1 ZINC000969757374 1336243753 /nfs/dbraw/zinc/24/37/53/1336243753.db2.gz QWZBYWNCVQUIBP-SECBINFHSA-N 1 2 336.741 3.101 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc3c(c2)C(C)(C)CO3)C1 ZINC000970131012 1336282598 /nfs/dbraw/zinc/28/25/98/1336282598.db2.gz LCLQXXPVLCDUDS-ZDUSSCGKSA-N 1 2 348.874 3.159 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnc3ccsc3c2)C1 ZINC000970270564 1336291861 /nfs/dbraw/zinc/29/18/61/1336291861.db2.gz ILRXBNKNBJUHJR-LLVKDONJSA-N 1 2 335.860 3.099 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(C)nc3ccccc32)C1 ZINC000970842300 1336338231 /nfs/dbraw/zinc/33/82/31/1336338231.db2.gz ZMIVBUQIXJFUNO-CQSZACIVSA-N 1 2 343.858 3.346 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2nc(Cl)cs2)CC1 ZINC001005883903 1336415625 /nfs/dbraw/zinc/41/56/25/1336415625.db2.gz RXHIDDMJTOFEKP-UHFFFAOYSA-N 1 2 334.272 3.085 20 30 EGEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)c1ccco1 ZINC001006600384 1336535241 /nfs/dbraw/zinc/53/52/41/1336535241.db2.gz YCKVMCMGAPUMEY-QGZVFWFLSA-N 1 2 342.826 3.179 20 30 EGEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)c1ccco1 ZINC001006600384 1336535243 /nfs/dbraw/zinc/53/52/43/1336535243.db2.gz YCKVMCMGAPUMEY-QGZVFWFLSA-N 1 2 342.826 3.179 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccsc3)C2)ccc1F ZINC001006674787 1336554150 /nfs/dbraw/zinc/55/41/50/1336554150.db2.gz BQMYQVHJEKDBHS-MRXNPFEDSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)c3ccsc3)C2)ccc1F ZINC001006674787 1336554154 /nfs/dbraw/zinc/55/41/54/1336554154.db2.gz BQMYQVHJEKDBHS-MRXNPFEDSA-N 1 2 343.427 3.153 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cccc(OCCC)c2)C1 ZINC001007449093 1336648765 /nfs/dbraw/zinc/64/87/65/1336648765.db2.gz VCTZWYHNMXMUQN-INIZCTEOSA-N 1 2 336.863 3.422 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(OCCC)c2)C1 ZINC001007449093 1336648769 /nfs/dbraw/zinc/64/87/69/1336648769.db2.gz VCTZWYHNMXMUQN-INIZCTEOSA-N 1 2 336.863 3.422 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cncc3ccccc32)C1 ZINC001007527216 1336663965 /nfs/dbraw/zinc/66/39/65/1336663965.db2.gz LQWPDBBHIXKICN-QGZVFWFLSA-N 1 2 343.858 3.110 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2cncc3ccccc32)C1 ZINC001007527216 1336663966 /nfs/dbraw/zinc/66/39/66/1336663966.db2.gz LQWPDBBHIXKICN-QGZVFWFLSA-N 1 2 343.858 3.110 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]([C@@H](C)Nc3cc[nH+]c(C)n3)C2)C1 ZINC001063905918 1352079583 /nfs/dbraw/zinc/07/95/83/1352079583.db2.gz ITDNKVIVALMXFO-ZBFHGGJFSA-N 1 2 328.460 3.180 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2ccc3cnccc3c2)C1 ZINC001007918831 1336733236 /nfs/dbraw/zinc/73/32/36/1336733236.db2.gz JNJQXJGJZATAOH-SFHVURJKSA-N 1 2 343.858 3.110 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2ccc3cnccc3c2)C1 ZINC001007918831 1336733239 /nfs/dbraw/zinc/73/32/39/1336733239.db2.gz JNJQXJGJZATAOH-SFHVURJKSA-N 1 2 343.858 3.110 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2([C@@H]3CCCCO3)CCC2)C1 ZINC001007923564 1336733824 /nfs/dbraw/zinc/73/38/24/1336733824.db2.gz ZXERRBIPCULWMB-CVEARBPZSA-N 1 2 340.895 3.059 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2([C@@H]3CCCCO3)CCC2)C1 ZINC001007923564 1336733827 /nfs/dbraw/zinc/73/38/27/1336733827.db2.gz ZXERRBIPCULWMB-CVEARBPZSA-N 1 2 340.895 3.059 20 30 EGEDLO CC1(C(=O)N[C@H]2CCC[N@H+](CC#Cc3cccc(Cl)c3)C2)CCC1 ZINC001008199077 1336790027 /nfs/dbraw/zinc/79/00/27/1336790027.db2.gz VCNSINUEXQIERC-SFHVURJKSA-N 1 2 344.886 3.462 20 30 EGEDLO CC1(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3cccc(Cl)c3)C2)CCC1 ZINC001008199077 1336790029 /nfs/dbraw/zinc/79/00/29/1336790029.db2.gz VCNSINUEXQIERC-SFHVURJKSA-N 1 2 344.886 3.462 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001008258929 1336806166 /nfs/dbraw/zinc/80/61/66/1336806166.db2.gz UBHHDAUREHHQLG-DLBZAZTESA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001008258929 1336806169 /nfs/dbraw/zinc/80/61/69/1336806169.db2.gz UBHHDAUREHHQLG-DLBZAZTESA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2cn(C)c3ccccc23)C1 ZINC001008355374 1336832468 /nfs/dbraw/zinc/83/24/68/1336832468.db2.gz IERDEGRUROIENE-INIZCTEOSA-N 1 2 345.874 3.054 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2cn(C)c3ccccc23)C1 ZINC001008355374 1336832471 /nfs/dbraw/zinc/83/24/71/1336832471.db2.gz IERDEGRUROIENE-INIZCTEOSA-N 1 2 345.874 3.054 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2cccc(Cl)c2F)C1 ZINC001008662029 1336906139 /nfs/dbraw/zinc/90/61/39/1336906139.db2.gz WFQUCRLBRDEHDC-CYBMUJFWSA-N 1 2 345.245 3.355 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cccc(Cl)c2F)C1 ZINC001008662029 1336906144 /nfs/dbraw/zinc/90/61/44/1336906144.db2.gz WFQUCRLBRDEHDC-CYBMUJFWSA-N 1 2 345.245 3.355 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc(Cl)c(OC)c2)C1 ZINC001008761682 1336921804 /nfs/dbraw/zinc/92/18/04/1336921804.db2.gz QWBYMAHJHIMDOJ-ZDUSSCGKSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)c(OC)c2)C1 ZINC001008761682 1336921806 /nfs/dbraw/zinc/92/18/06/1336921806.db2.gz QWBYMAHJHIMDOJ-ZDUSSCGKSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CCOc3ccccc32)C1 ZINC001009228578 1336988770 /nfs/dbraw/zinc/98/87/70/1336988770.db2.gz ZKGAGKFKSXAMDV-BEFAXECRSA-N 1 2 348.874 3.060 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CCOc3ccccc32)C1 ZINC001009228578 1336988774 /nfs/dbraw/zinc/98/87/74/1336988774.db2.gz ZKGAGKFKSXAMDV-BEFAXECRSA-N 1 2 348.874 3.060 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCC3(CCC3)CO2)C1 ZINC001009295670 1337000056 /nfs/dbraw/zinc/00/00/56/1337000056.db2.gz LOAHEBJMSJXVQG-JKSUJKDBSA-N 1 2 340.895 3.059 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCC3(CCC3)CO2)C1 ZINC001009295670 1337000058 /nfs/dbraw/zinc/00/00/58/1337000058.db2.gz LOAHEBJMSJXVQG-JKSUJKDBSA-N 1 2 340.895 3.059 20 30 EGEDLO C=CCCCC(=O)NC1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CCC1 ZINC001063956573 1352109763 /nfs/dbraw/zinc/10/97/63/1352109763.db2.gz MKTVSACQLZLZQE-UHFFFAOYSA-N 1 2 343.471 3.132 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)C3CCCCCC3)C2)c1 ZINC001010366348 1337183125 /nfs/dbraw/zinc/18/31/25/1337183125.db2.gz JIKOYOFADGHQPA-SFHVURJKSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)C3CCCCCC3)C2)c1 ZINC001010366348 1337183127 /nfs/dbraw/zinc/18/31/27/1337183127.db2.gz JIKOYOFADGHQPA-SFHVURJKSA-N 1 2 343.446 3.358 20 30 EGEDLO Cc1cscc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010480704 1337204766 /nfs/dbraw/zinc/20/47/66/1337204766.db2.gz CLCDKJQGTPJPSC-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1cscc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010480704 1337204768 /nfs/dbraw/zinc/20/47/68/1337204768.db2.gz CLCDKJQGTPJPSC-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001014441476 1337778694 /nfs/dbraw/zinc/77/86/94/1337778694.db2.gz SLKAOKHUXZZESG-QFBILLFUSA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001014441476 1337778698 /nfs/dbraw/zinc/77/86/98/1337778698.db2.gz SLKAOKHUXZZESG-QFBILLFUSA-N 1 2 337.467 3.219 20 30 EGEDLO Cc1scc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)c1C ZINC001014565999 1337827309 /nfs/dbraw/zinc/82/73/09/1337827309.db2.gz WRTKUSKQJXZFFJ-ZDUSSCGKSA-N 1 2 345.493 3.302 20 30 EGEDLO Cc1scc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)c1C ZINC001014565999 1337827314 /nfs/dbraw/zinc/82/73/14/1337827314.db2.gz WRTKUSKQJXZFFJ-ZDUSSCGKSA-N 1 2 345.493 3.302 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[C@@H]3C=CCCC3)C2)c(F)c1 ZINC001014908882 1337947231 /nfs/dbraw/zinc/94/72/31/1337947231.db2.gz KMULJGJPUCVGJO-CRAIPNDOSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C[C@@H]3C=CCCC3)C2)c(F)c1 ZINC001014908882 1337947235 /nfs/dbraw/zinc/94/72/35/1337947235.db2.gz KMULJGJPUCVGJO-CRAIPNDOSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC001015138582 1338029045 /nfs/dbraw/zinc/02/90/45/1338029045.db2.gz ZLGUVJDELJTGQZ-INIZCTEOSA-N 1 2 329.831 3.034 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC001015138582 1338029047 /nfs/dbraw/zinc/02/90/47/1338029047.db2.gz ZLGUVJDELJTGQZ-INIZCTEOSA-N 1 2 329.831 3.034 20 30 EGEDLO Cc1ccc(F)cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001015440006 1338142777 /nfs/dbraw/zinc/14/27/77/1338142777.db2.gz DWRYKOXBJRFRFS-SFHVURJKSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1ccc(F)cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001015440006 1338142781 /nfs/dbraw/zinc/14/27/81/1338142781.db2.gz DWRYKOXBJRFRFS-SFHVURJKSA-N 1 2 337.398 3.010 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](CC(=C)Br)C[C@H]2C)CCC1 ZINC001208498565 1371788870 /nfs/dbraw/zinc/78/88/70/1371788870.db2.gz XDGOWUAIZKZDMN-TZMCWYRMSA-N 1 2 341.293 3.078 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2CC)C1 ZINC001015622403 1338212132 /nfs/dbraw/zinc/21/21/32/1338212132.db2.gz GTRJZVDXBITVJU-BPQIPLTHSA-N 1 2 332.875 3.296 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2CC)C1 ZINC001015622403 1338212135 /nfs/dbraw/zinc/21/21/35/1338212135.db2.gz GTRJZVDXBITVJU-BPQIPLTHSA-N 1 2 332.875 3.296 20 30 EGEDLO Cc1ccc(F)c(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)c1 ZINC001015758939 1338293924 /nfs/dbraw/zinc/29/39/24/1338293924.db2.gz JCEOJKUFVQZMHL-ZDUSSCGKSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1ccc(F)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)c1 ZINC001015758939 1338293926 /nfs/dbraw/zinc/29/39/26/1338293926.db2.gz JCEOJKUFVQZMHL-ZDUSSCGKSA-N 1 2 343.427 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(OC)c(C3CC3)c2)C1 ZINC001015916443 1338357742 /nfs/dbraw/zinc/35/77/42/1338357742.db2.gz LCLDAUIVVYEWFH-OAHLLOKOSA-N 1 2 334.847 3.129 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(OC)c(C3CC3)c2)C1 ZINC001015916443 1338357743 /nfs/dbraw/zinc/35/77/43/1338357743.db2.gz LCLDAUIVVYEWFH-OAHLLOKOSA-N 1 2 334.847 3.129 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(O[C@H](C)CC)cc2)C1 ZINC001015953916 1338376058 /nfs/dbraw/zinc/37/60/58/1338376058.db2.gz JSEAHOCLXAVGSS-ZBFHGGJFSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(O[C@H](C)CC)cc2)C1 ZINC001015953916 1338376061 /nfs/dbraw/zinc/37/60/61/1338376061.db2.gz JSEAHOCLXAVGSS-ZBFHGGJFSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc(CC)cc2)C1 ZINC001015961903 1338379818 /nfs/dbraw/zinc/37/98/18/1338379818.db2.gz MMNWNVOOIXIAKD-QGZVFWFLSA-N 1 2 334.891 3.470 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc(CC)cc2)C1 ZINC001015961903 1338379820 /nfs/dbraw/zinc/37/98/20/1338379820.db2.gz MMNWNVOOIXIAKD-QGZVFWFLSA-N 1 2 334.891 3.470 20 30 EGEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ccccc1Cl ZINC001016069282 1338441956 /nfs/dbraw/zinc/44/19/56/1338441956.db2.gz XZGFTRAZPGMCMT-KRWDZBQOSA-N 1 2 338.838 3.196 20 30 EGEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ccccc1Cl ZINC001016069282 1338441958 /nfs/dbraw/zinc/44/19/58/1338441958.db2.gz XZGFTRAZPGMCMT-KRWDZBQOSA-N 1 2 338.838 3.196 20 30 EGEDLO Cc1cc(C)cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001016097627 1338460579 /nfs/dbraw/zinc/46/05/79/1338460579.db2.gz UAERMESXKRBWPO-FQEVSTJZSA-N 1 2 333.435 3.179 20 30 EGEDLO Cc1cc(C)cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001016097627 1338460580 /nfs/dbraw/zinc/46/05/80/1338460580.db2.gz UAERMESXKRBWPO-FQEVSTJZSA-N 1 2 333.435 3.179 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001016210800 1338510232 /nfs/dbraw/zinc/51/02/32/1338510232.db2.gz ILBXINQXSWKAJX-SFHVURJKSA-N 1 2 344.418 3.044 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001016210800 1338510233 /nfs/dbraw/zinc/51/02/33/1338510233.db2.gz ILBXINQXSWKAJX-SFHVURJKSA-N 1 2 344.418 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc3c(c2)CCCC3)C1 ZINC001016225539 1338516358 /nfs/dbraw/zinc/51/63/58/1338516358.db2.gz JRPLUOMRRMBKJY-SFHVURJKSA-N 1 2 332.875 3.051 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccc3c(c2)CCCC3)C1 ZINC001016225539 1338516360 /nfs/dbraw/zinc/51/63/60/1338516360.db2.gz JRPLUOMRRMBKJY-SFHVURJKSA-N 1 2 332.875 3.051 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)c2cccc(Cl)c2)C1 ZINC001016309132 1338542260 /nfs/dbraw/zinc/54/22/60/1338542260.db2.gz UFXWHIMKKGILPB-SWLSCSKDSA-N 1 2 327.255 3.387 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)c2cccc(Cl)c2)C1 ZINC001016309132 1338542264 /nfs/dbraw/zinc/54/22/64/1338542264.db2.gz UFXWHIMKKGILPB-SWLSCSKDSA-N 1 2 327.255 3.387 20 30 EGEDLO CC(C)(C)C1CC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001016376452 1338579114 /nfs/dbraw/zinc/57/91/14/1338579114.db2.gz VPWZAKMWDKJTCJ-CTWPCTMYSA-N 1 2 339.483 3.321 20 30 EGEDLO CC(C)(C)C1CC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001016376452 1338579119 /nfs/dbraw/zinc/57/91/19/1338579119.db2.gz VPWZAKMWDKJTCJ-CTWPCTMYSA-N 1 2 339.483 3.321 20 30 EGEDLO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2cccc(F)c2)cc1 ZINC001017315611 1339326933 /nfs/dbraw/zinc/32/69/33/1339326933.db2.gz TVRUNLIYRHDQHH-BGYRXZFFSA-N 1 2 349.409 3.186 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2cccc(F)c2)cc1 ZINC001017315611 1339326935 /nfs/dbraw/zinc/32/69/35/1339326935.db2.gz TVRUNLIYRHDQHH-BGYRXZFFSA-N 1 2 349.409 3.186 20 30 EGEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1scnc1C1CCCC1 ZINC001017709623 1339397258 /nfs/dbraw/zinc/39/72/58/1339397258.db2.gz ROGDQSKWZYNCNG-GASCZTMLSA-N 1 2 331.485 3.276 20 30 EGEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1scnc1C1CCCC1 ZINC001017709623 1339397260 /nfs/dbraw/zinc/39/72/60/1339397260.db2.gz ROGDQSKWZYNCNG-GASCZTMLSA-N 1 2 331.485 3.276 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)c(Cl)cc1C ZINC001017787581 1339421042 /nfs/dbraw/zinc/42/10/42/1339421042.db2.gz JGCHIWWPCFHXRT-IYBDPMFKSA-N 1 2 330.859 3.269 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)c(Cl)cc1C ZINC001017787581 1339421045 /nfs/dbraw/zinc/42/10/45/1339421045.db2.gz JGCHIWWPCFHXRT-IYBDPMFKSA-N 1 2 330.859 3.269 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)c2ccccc12 ZINC001017984347 1339474252 /nfs/dbraw/zinc/47/42/52/1339474252.db2.gz KRUASPJMEJZYLY-IYBDPMFKSA-N 1 2 336.410 3.291 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)c2ccccc12 ZINC001017984347 1339474259 /nfs/dbraw/zinc/47/42/59/1339474259.db2.gz KRUASPJMEJZYLY-IYBDPMFKSA-N 1 2 336.410 3.291 20 30 EGEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cccnc2s1 ZINC001018140343 1339511894 /nfs/dbraw/zinc/51/18/94/1339511894.db2.gz NJQHMXCLYSZEDC-GASCZTMLSA-N 1 2 327.453 3.161 20 30 EGEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cccnc2s1 ZINC001018140343 1339511898 /nfs/dbraw/zinc/51/18/98/1339511898.db2.gz NJQHMXCLYSZEDC-GASCZTMLSA-N 1 2 327.453 3.161 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)Cc1ccccc1C ZINC001018176275 1339522505 /nfs/dbraw/zinc/52/25/05/1339522505.db2.gz DVFJUZPQUFCJQR-NRSPTQNISA-N 1 2 338.495 3.262 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)Cc1ccccc1C ZINC001018176275 1339522508 /nfs/dbraw/zinc/52/25/08/1339522508.db2.gz DVFJUZPQUFCJQR-NRSPTQNISA-N 1 2 338.495 3.262 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc2ccc(Cl)cc12 ZINC001018225164 1339539562 /nfs/dbraw/zinc/53/95/62/1339539562.db2.gz YQNMDZAJVGSNHP-GASCZTMLSA-N 1 2 342.826 3.398 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc2ccc(Cl)cc12 ZINC001018225164 1339539565 /nfs/dbraw/zinc/53/95/65/1339539565.db2.gz YQNMDZAJVGSNHP-GASCZTMLSA-N 1 2 342.826 3.398 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ncc(C3CC3)o2)CC1 ZINC001028115053 1340436460 /nfs/dbraw/zinc/43/64/60/1340436460.db2.gz WAKFDILSXDMZDM-KRWDZBQOSA-N 1 2 343.471 3.379 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ncc(C3CC3)o2)CC1 ZINC001028115053 1340436464 /nfs/dbraw/zinc/43/64/64/1340436464.db2.gz WAKFDILSXDMZDM-KRWDZBQOSA-N 1 2 343.471 3.379 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccn(C(C)C)n2)CC1 ZINC001028116200 1340437533 /nfs/dbraw/zinc/43/75/33/1340437533.db2.gz DMAIMNXVJGJHNS-IBGZPJMESA-N 1 2 344.503 3.291 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccn(C(C)C)n2)CC1 ZINC001028116200 1340437536 /nfs/dbraw/zinc/43/75/36/1340437536.db2.gz DMAIMNXVJGJHNS-IBGZPJMESA-N 1 2 344.503 3.291 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(F)cc(Cl)c1 ZINC001028159579 1340458855 /nfs/dbraw/zinc/45/88/55/1340458855.db2.gz IFNJTMMPLCEMEW-CQSZACIVSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)cc(Cl)c1 ZINC001028159579 1340458856 /nfs/dbraw/zinc/45/88/56/1340458856.db2.gz IFNJTMMPLCEMEW-CQSZACIVSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)c(OCC)c1 ZINC001028178937 1340470043 /nfs/dbraw/zinc/47/00/43/1340470043.db2.gz ZKXHNWAECDIAQD-MRXNPFEDSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)c(OCC)c1 ZINC001028178937 1340470044 /nfs/dbraw/zinc/47/00/44/1340470044.db2.gz ZKXHNWAECDIAQD-MRXNPFEDSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc2c(C)cccn2c1 ZINC001028258424 1340516476 /nfs/dbraw/zinc/51/64/76/1340516476.db2.gz RYGFWKFSOYHXGM-INIZCTEOSA-N 1 2 331.847 3.194 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c(C)cccn2c1 ZINC001028258424 1340516477 /nfs/dbraw/zinc/51/64/77/1340516477.db2.gz RYGFWKFSOYHXGM-INIZCTEOSA-N 1 2 331.847 3.194 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)C1CCC=CCC1 ZINC001028317721 1340560776 /nfs/dbraw/zinc/56/07/76/1340560776.db2.gz IAKIXPIECFNRGT-HNNXBMFYSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)C1CCC=CCC1 ZINC001028317721 1340560778 /nfs/dbraw/zinc/56/07/78/1340560778.db2.gz IAKIXPIECFNRGT-HNNXBMFYSA-N 1 2 341.293 3.222 20 30 EGEDLO O=C(CC1CCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029195803 1340952580 /nfs/dbraw/zinc/95/25/80/1340952580.db2.gz CXOGUFABYQGQJB-OYRHEFFESA-N 1 2 336.479 3.294 20 30 EGEDLO O=C(CC1CCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029195803 1340952581 /nfs/dbraw/zinc/95/25/81/1340952581.db2.gz CXOGUFABYQGQJB-OYRHEFFESA-N 1 2 336.479 3.294 20 30 EGEDLO O=C(c1ccsc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029202962 1340953806 /nfs/dbraw/zinc/95/38/06/1340953806.db2.gz CQTYLVGKVQLBDT-KDURUIRLSA-N 1 2 336.460 3.089 20 30 EGEDLO O=C(c1ccsc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029202962 1340953807 /nfs/dbraw/zinc/95/38/07/1340953807.db2.gz CQTYLVGKVQLBDT-KDURUIRLSA-N 1 2 336.460 3.089 20 30 EGEDLO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1)C1CCC1 ZINC001029354517 1340975875 /nfs/dbraw/zinc/97/58/75/1340975875.db2.gz CKQBUTPYMNCJJG-CWRNSKLLSA-N 1 2 343.496 3.231 20 30 EGEDLO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1)C1CCC1 ZINC001029354517 1340975876 /nfs/dbraw/zinc/97/58/76/1340975876.db2.gz CKQBUTPYMNCJJG-CWRNSKLLSA-N 1 2 343.496 3.231 20 30 EGEDLO CC1(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C#N)c(F)c2)CC1 ZINC001029395371 1340983166 /nfs/dbraw/zinc/98/31/66/1340983166.db2.gz QDSKBBLYXMJLPC-CALCHBBNSA-N 1 2 341.430 3.063 20 30 EGEDLO CC1(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)c(F)c2)CC1 ZINC001029395371 1340983167 /nfs/dbraw/zinc/98/31/67/1340983167.db2.gz QDSKBBLYXMJLPC-CALCHBBNSA-N 1 2 341.430 3.063 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1oc(CC)nc1C ZINC001029420171 1340986226 /nfs/dbraw/zinc/98/62/26/1340986226.db2.gz SIPCWQJWCPUFAD-IYBDPMFKSA-N 1 2 345.487 3.323 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1oc(CC)nc1C ZINC001029420171 1340986227 /nfs/dbraw/zinc/98/62/27/1340986227.db2.gz SIPCWQJWCPUFAD-IYBDPMFKSA-N 1 2 345.487 3.323 20 30 EGEDLO CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001029450784 1340992903 /nfs/dbraw/zinc/99/29/03/1340992903.db2.gz YXVRIGBPOMDODH-CALCHBBNSA-N 1 2 343.446 3.309 20 30 EGEDLO CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001029450784 1340992904 /nfs/dbraw/zinc/99/29/04/1340992904.db2.gz YXVRIGBPOMDODH-CALCHBBNSA-N 1 2 343.446 3.309 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc(C)s1 ZINC001029452809 1340993492 /nfs/dbraw/zinc/99/34/92/1340993492.db2.gz DSIMEFHAAFNVGP-DAYGRLMNSA-N 1 2 333.501 3.229 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc(C)s1 ZINC001029452809 1340993493 /nfs/dbraw/zinc/99/34/93/1340993493.db2.gz DSIMEFHAAFNVGP-DAYGRLMNSA-N 1 2 333.501 3.229 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029452777 1340993529 /nfs/dbraw/zinc/99/35/29/1340993529.db2.gz CRYXOALNXYBGLT-ZRGWGRIASA-N 1 2 343.496 3.397 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029452777 1340993530 /nfs/dbraw/zinc/99/35/30/1340993530.db2.gz CRYXOALNXYBGLT-ZRGWGRIASA-N 1 2 343.496 3.397 20 30 EGEDLO C=C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C\Cl)c1ccccc1 ZINC001029593668 1341018096 /nfs/dbraw/zinc/01/80/96/1341018096.db2.gz FOLNHBXOTGCXSR-NHFNYZPWSA-N 1 2 330.859 3.384 20 30 EGEDLO C=C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C\Cl)c1ccccc1 ZINC001029593668 1341018098 /nfs/dbraw/zinc/01/80/98/1341018098.db2.gz FOLNHBXOTGCXSR-NHFNYZPWSA-N 1 2 330.859 3.384 20 30 EGEDLO C[C@@H]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031937618 1341426361 /nfs/dbraw/zinc/42/63/61/1341426361.db2.gz ZUHSURFFXHXIIQ-RDTXWAMCSA-N 1 2 343.446 3.072 20 30 EGEDLO C[C@@H]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031942023 1341428155 /nfs/dbraw/zinc/42/81/55/1341428155.db2.gz VBFHCXGTRYFBOF-KDOFPFPSSA-N 1 2 343.446 3.072 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)NCC2C[NH+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC001032025584 1341441339 /nfs/dbraw/zinc/44/13/39/1341441339.db2.gz VFLMVCPAZXVMLC-YJBOKZPZSA-N 1 2 344.886 3.176 20 30 EGEDLO CC1=C(C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)CC1 ZINC001032419133 1341507487 /nfs/dbraw/zinc/50/74/87/1341507487.db2.gz FMLGBEKZTKYHAQ-HKBOAZHASA-N 1 2 349.478 3.480 20 30 EGEDLO CC1=C(C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)CC1 ZINC001032419133 1341507489 /nfs/dbraw/zinc/50/74/89/1341507489.db2.gz FMLGBEKZTKYHAQ-HKBOAZHASA-N 1 2 349.478 3.480 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2oc(C(C)C)nc2C)C1 ZINC001032617889 1341561224 /nfs/dbraw/zinc/56/12/24/1341561224.db2.gz YSXIUVRYEXXZOK-HOTGVXAUSA-N 1 2 343.471 3.248 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2oc(C(C)C)nc2C)C1 ZINC001032617889 1341561226 /nfs/dbraw/zinc/56/12/26/1341561226.db2.gz YSXIUVRYEXXZOK-HOTGVXAUSA-N 1 2 343.471 3.248 20 30 EGEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC001032687839 1341581984 /nfs/dbraw/zinc/58/19/84/1341581984.db2.gz YAWGRRJVOCCYQW-YHDSQAASSA-N 1 2 344.458 3.252 20 30 EGEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC001032687839 1341581985 /nfs/dbraw/zinc/58/19/85/1341581985.db2.gz YAWGRRJVOCCYQW-YHDSQAASSA-N 1 2 344.458 3.252 20 30 EGEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC001032688538 1341582354 /nfs/dbraw/zinc/58/23/54/1341582354.db2.gz FRUYFNSPQQYRNK-MYGLTJDJSA-N 1 2 344.458 3.252 20 30 EGEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC001032688538 1341582357 /nfs/dbraw/zinc/58/23/57/1341582357.db2.gz FRUYFNSPQQYRNK-MYGLTJDJSA-N 1 2 344.458 3.252 20 30 EGEDLO CN(C(=O)C1CCC1)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001032853875 1341635175 /nfs/dbraw/zinc/63/51/75/1341635175.db2.gz WCPGIPFRVQIEBE-KRWDZBQOSA-N 1 2 330.859 3.024 20 30 EGEDLO CN(C(=O)C1CCC1)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001032853875 1341635176 /nfs/dbraw/zinc/63/51/76/1341635176.db2.gz WCPGIPFRVQIEBE-KRWDZBQOSA-N 1 2 330.859 3.024 20 30 EGEDLO CN(C(=O)c1ccco1)[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001032872426 1341643560 /nfs/dbraw/zinc/64/35/60/1341643560.db2.gz MUOQYORGLDKZJV-QGZVFWFLSA-N 1 2 342.826 3.131 20 30 EGEDLO CN(C(=O)c1ccco1)[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001032872426 1341643561 /nfs/dbraw/zinc/64/35/61/1341643561.db2.gz MUOQYORGLDKZJV-QGZVFWFLSA-N 1 2 342.826 3.131 20 30 EGEDLO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)s1 ZINC001032884250 1341650616 /nfs/dbraw/zinc/65/06/16/1341650616.db2.gz LZOSEBWMROJHGW-QGZVFWFLSA-N 1 2 339.464 3.275 20 30 EGEDLO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)s1 ZINC001032884250 1341650619 /nfs/dbraw/zinc/65/06/19/1341650619.db2.gz LZOSEBWMROJHGW-QGZVFWFLSA-N 1 2 339.464 3.275 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@]2(C)CC=CCC2)C1 ZINC001033108452 1341728111 /nfs/dbraw/zinc/72/81/11/1341728111.db2.gz RDNXLOPVQJGYQR-GDBMZVCRSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(C)CC=CCC2)C1 ZINC001033108452 1341728112 /nfs/dbraw/zinc/72/81/12/1341728112.db2.gz RDNXLOPVQJGYQR-GDBMZVCRSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2cccc3cccnc32)C1 ZINC001033316372 1341778728 /nfs/dbraw/zinc/77/87/28/1341778728.db2.gz XJWOSJYKSOTCOL-KRWDZBQOSA-N 1 2 343.858 3.063 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2cccc3cccnc32)C1 ZINC001033316372 1341778729 /nfs/dbraw/zinc/77/87/29/1341778729.db2.gz XJWOSJYKSOTCOL-KRWDZBQOSA-N 1 2 343.858 3.063 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2c(F)cc(F)cc2F)C1 ZINC001033377303 1341802694 /nfs/dbraw/zinc/80/26/94/1341802694.db2.gz ADSIAXFPPSIZBP-LLVKDONJSA-N 1 2 332.753 3.003 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c(F)cc(F)cc2F)C1 ZINC001033377303 1341802695 /nfs/dbraw/zinc/80/26/95/1341802695.db2.gz ADSIAXFPPSIZBP-LLVKDONJSA-N 1 2 332.753 3.003 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033434430 1341823496 /nfs/dbraw/zinc/82/34/96/1341823496.db2.gz CPFDGQUNMLXYAA-BPQIPLTHSA-N 1 2 344.886 3.270 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033434430 1341823497 /nfs/dbraw/zinc/82/34/97/1341823497.db2.gz CPFDGQUNMLXYAA-BPQIPLTHSA-N 1 2 344.886 3.270 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001033497299 1341847646 /nfs/dbraw/zinc/84/76/46/1341847646.db2.gz VCZRGZABDAMXTI-RYQLBKOJSA-N 1 2 348.874 3.084 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001033497299 1341847647 /nfs/dbraw/zinc/84/76/47/1341847647.db2.gz VCZRGZABDAMXTI-RYQLBKOJSA-N 1 2 348.874 3.084 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2ccccc2F)C1 ZINC001033505476 1341850547 /nfs/dbraw/zinc/85/05/47/1341850547.db2.gz UFDBKVZHLLHAOC-CQSZACIVSA-N 1 2 338.854 3.389 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2ccccc2F)C1 ZINC001033505476 1341850548 /nfs/dbraw/zinc/85/05/48/1341850548.db2.gz UFDBKVZHLLHAOC-CQSZACIVSA-N 1 2 338.854 3.389 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(OC)c(C3CC3)c2)C1 ZINC001033535415 1341861879 /nfs/dbraw/zinc/86/18/79/1341861879.db2.gz CINMCOHQZZMMFP-MRXNPFEDSA-N 1 2 348.874 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(OC)c(C3CC3)c2)C1 ZINC001033535415 1341861880 /nfs/dbraw/zinc/86/18/80/1341861880.db2.gz CINMCOHQZZMMFP-MRXNPFEDSA-N 1 2 348.874 3.471 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnn([C@@H](C)CC)c2C)C1 ZINC001033568832 1341877035 /nfs/dbraw/zinc/87/70/35/1341877035.db2.gz NRKLRHCAXYJQHH-DZGCQCFKSA-N 1 2 338.883 3.061 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn([C@@H](C)CC)c2C)C1 ZINC001033568832 1341877037 /nfs/dbraw/zinc/87/70/37/1341877037.db2.gz NRKLRHCAXYJQHH-DZGCQCFKSA-N 1 2 338.883 3.061 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2[nH]c3ccccc3c2OC)C1 ZINC001033696228 1341961388 /nfs/dbraw/zinc/96/13/88/1341961388.db2.gz JJPNUSROPXATDV-CYBMUJFWSA-N 1 2 347.846 3.075 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2[nH]c3ccccc3c2OC)C1 ZINC001033696228 1341961395 /nfs/dbraw/zinc/96/13/95/1341961395.db2.gz JJPNUSROPXATDV-CYBMUJFWSA-N 1 2 347.846 3.075 20 30 EGEDLO CCN(C(=O)C1CC1)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033720065 1341975894 /nfs/dbraw/zinc/97/58/94/1341975894.db2.gz XWLKDRPOMXBSAZ-KRWDZBQOSA-N 1 2 330.859 3.024 20 30 EGEDLO CCN(C(=O)C1CC1)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033720065 1341975895 /nfs/dbraw/zinc/97/58/95/1341975895.db2.gz XWLKDRPOMXBSAZ-KRWDZBQOSA-N 1 2 330.859 3.024 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cccc3c2COCC3)C1 ZINC001033855524 1342046295 /nfs/dbraw/zinc/04/62/95/1342046295.db2.gz BEFFMTZWTLKDEQ-INIZCTEOSA-N 1 2 348.874 3.048 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc3c2COCC3)C1 ZINC001033855524 1342046296 /nfs/dbraw/zinc/04/62/96/1342046296.db2.gz BEFFMTZWTLKDEQ-INIZCTEOSA-N 1 2 348.874 3.048 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc3c(cn2)CCCC3)C1 ZINC001033894221 1342065866 /nfs/dbraw/zinc/06/58/66/1342065866.db2.gz WFZGJOHNNUYBFE-KRWDZBQOSA-N 1 2 347.890 3.249 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc3c(cn2)CCCC3)C1 ZINC001033894221 1342065868 /nfs/dbraw/zinc/06/58/68/1342065868.db2.gz WFZGJOHNNUYBFE-KRWDZBQOSA-N 1 2 347.890 3.249 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)cc3cn[nH]c32)C1 ZINC001033987582 1342131758 /nfs/dbraw/zinc/13/17/58/1342131758.db2.gz QWVUPAVOWNHHTD-OAHLLOKOSA-N 1 2 346.862 3.160 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)cc3cn[nH]c32)C1 ZINC001033987582 1342131760 /nfs/dbraw/zinc/13/17/60/1342131760.db2.gz QWVUPAVOWNHHTD-OAHLLOKOSA-N 1 2 346.862 3.160 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC001033987582 1342131762 /nfs/dbraw/zinc/13/17/62/1342131762.db2.gz QWVUPAVOWNHHTD-OAHLLOKOSA-N 1 2 346.862 3.160 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC001033987582 1342131763 /nfs/dbraw/zinc/13/17/63/1342131763.db2.gz QWVUPAVOWNHHTD-OAHLLOKOSA-N 1 2 346.862 3.160 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cccc(OC)c2F)C1 ZINC001033997601 1342137632 /nfs/dbraw/zinc/13/76/32/1342137632.db2.gz CSMMMYSQZOJWNT-ZDUSSCGKSA-N 1 2 340.826 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(OC)c2F)C1 ZINC001033997601 1342137635 /nfs/dbraw/zinc/13/76/35/1342137635.db2.gz CSMMMYSQZOJWNT-ZDUSSCGKSA-N 1 2 340.826 3.123 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3ccn(C)c3c2)C1 ZINC001034004301 1342141922 /nfs/dbraw/zinc/14/19/22/1342141922.db2.gz LPDIGHUXVSQVOL-KRWDZBQOSA-N 1 2 345.874 3.467 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3ccn(C)c3c2)C1 ZINC001034004301 1342141923 /nfs/dbraw/zinc/14/19/23/1342141923.db2.gz LPDIGHUXVSQVOL-KRWDZBQOSA-N 1 2 345.874 3.467 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2coc(C3CCC3)n2)C1 ZINC001034012185 1342148980 /nfs/dbraw/zinc/14/89/80/1342148980.db2.gz MYGBDRTXDXGVBN-CQSZACIVSA-N 1 2 337.851 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2coc(C3CCC3)n2)C1 ZINC001034012185 1342148983 /nfs/dbraw/zinc/14/89/83/1342148983.db2.gz MYGBDRTXDXGVBN-CQSZACIVSA-N 1 2 337.851 3.231 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(C)cc2OC)C1 ZINC001034028318 1342167117 /nfs/dbraw/zinc/16/71/17/1342167117.db2.gz YXCMECMUEAVXPA-HNNXBMFYSA-N 1 2 336.863 3.293 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C)cc2OC)C1 ZINC001034028318 1342167118 /nfs/dbraw/zinc/16/71/18/1342167118.db2.gz YXCMECMUEAVXPA-HNNXBMFYSA-N 1 2 336.863 3.293 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C3CC3)cn2)C1 ZINC001034035212 1342174176 /nfs/dbraw/zinc/17/41/76/1342174176.db2.gz KFDVSXSEVRCFHX-MRXNPFEDSA-N 1 2 333.863 3.248 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C3CC3)cn2)C1 ZINC001034035212 1342174179 /nfs/dbraw/zinc/17/41/79/1342174179.db2.gz KFDVSXSEVRCFHX-MRXNPFEDSA-N 1 2 333.863 3.248 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2sccc2COC)C1 ZINC001034485198 1342542796 /nfs/dbraw/zinc/54/27/96/1342542796.db2.gz PIFHSDOBPPYHDN-CQSZACIVSA-N 1 2 342.892 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2sccc2COC)C1 ZINC001034485198 1342542797 /nfs/dbraw/zinc/54/27/97/1342542797.db2.gz PIFHSDOBPPYHDN-CQSZACIVSA-N 1 2 342.892 3.231 20 30 EGEDLO CC[C@@H](C)C(=O)N1CCC2(C[NH+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001035654038 1343124130 /nfs/dbraw/zinc/12/41/30/1343124130.db2.gz HJLTYKYLGGTCRW-OAHLLOKOSA-N 1 2 343.446 3.168 20 30 EGEDLO C[C@H](c1c(F)cccc1F)[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)C#N)CC2 ZINC001035669624 1343130173 /nfs/dbraw/zinc/13/01/73/1343130173.db2.gz UDEKJJPHKXGSAB-UONOGXRCSA-N 1 2 347.409 3.110 20 30 EGEDLO C[C@H](C#N)C(=O)N1CCC2(C[NH+](Cc3cc(F)ccc3Cl)C2)CC1 ZINC001035674532 1343132394 /nfs/dbraw/zinc/13/23/94/1343132394.db2.gz YLFLICCDVUKDRD-CYBMUJFWSA-N 1 2 349.837 3.063 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cc(C)cc(F)c1)CC2 ZINC001035802082 1343204932 /nfs/dbraw/zinc/20/49/32/1343204932.db2.gz CNQLHODINKTTII-UHFFFAOYSA-N 1 2 336.838 3.425 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038170238 1344309871 /nfs/dbraw/zinc/30/98/71/1344309871.db2.gz ZUCYNXHTDSGGFW-SJCJKPOMSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038170238 1344309874 /nfs/dbraw/zinc/30/98/74/1344309874.db2.gz ZUCYNXHTDSGGFW-SJCJKPOMSA-N 1 2 342.830 3.105 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2CCCC3(CC3)C2)s1 ZINC001038246142 1344342036 /nfs/dbraw/zinc/34/20/36/1344342036.db2.gz MHXQOVUFQYNBFN-CABCVRRESA-N 1 2 343.496 3.281 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2CCCC3(CC3)C2)s1 ZINC001038246142 1344342042 /nfs/dbraw/zinc/34/20/42/1344342042.db2.gz MHXQOVUFQYNBFN-CABCVRRESA-N 1 2 343.496 3.281 20 30 EGEDLO CCc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)s1 ZINC001038490764 1344449488 /nfs/dbraw/zinc/44/94/88/1344449488.db2.gz CFMSHZPZEAIDLD-INIZCTEOSA-N 1 2 339.464 3.186 20 30 EGEDLO CCc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)s1 ZINC001038490764 1344449490 /nfs/dbraw/zinc/44/94/90/1344449490.db2.gz CFMSHZPZEAIDLD-INIZCTEOSA-N 1 2 339.464 3.186 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)s1 ZINC001038541395 1344474532 /nfs/dbraw/zinc/47/45/32/1344474532.db2.gz TWOAFMVAJVJZMG-DFEHZGFQSA-N 1 2 343.496 3.137 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)s1 ZINC001038541395 1344474535 /nfs/dbraw/zinc/47/45/35/1344474535.db2.gz TWOAFMVAJVJZMG-DFEHZGFQSA-N 1 2 343.496 3.137 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C)c(F)c2)cc1 ZINC001038580773 1344492474 /nfs/dbraw/zinc/49/24/74/1344492474.db2.gz CVYSJFSXEITJGR-LJQANCHMSA-N 1 2 336.410 3.120 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C)c(F)c2)cc1 ZINC001038580773 1344492480 /nfs/dbraw/zinc/49/24/80/1344492480.db2.gz CVYSJFSXEITJGR-LJQANCHMSA-N 1 2 336.410 3.120 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccoc2C2CC2)cc1 ZINC001038636571 1344513990 /nfs/dbraw/zinc/51/39/90/1344513990.db2.gz RVKIUMXIMXOGKU-QGZVFWFLSA-N 1 2 335.407 3.033 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccoc2C2CC2)cc1 ZINC001038636571 1344513992 /nfs/dbraw/zinc/51/39/92/1344513992.db2.gz RVKIUMXIMXOGKU-QGZVFWFLSA-N 1 2 335.407 3.033 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1Cl ZINC001038806983 1344590591 /nfs/dbraw/zinc/59/05/91/1344590591.db2.gz FIRQJKMUIITIMJ-RYRKJORJSA-N 1 2 348.874 3.012 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1Cl ZINC001038806983 1344590593 /nfs/dbraw/zinc/59/05/93/1344590593.db2.gz FIRQJKMUIITIMJ-RYRKJORJSA-N 1 2 348.874 3.012 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccc(Cl)s2)cc1 ZINC001038990420 1344700927 /nfs/dbraw/zinc/70/09/27/1344700927.db2.gz ZLPUSKKWGPLHTG-CQSZACIVSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccc(Cl)s2)cc1 ZINC001038990420 1344700929 /nfs/dbraw/zinc/70/09/29/1344700929.db2.gz ZLPUSKKWGPLHTG-CQSZACIVSA-N 1 2 345.855 3.277 20 30 EGEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)c1cccc2c1CCC2 ZINC001039066977 1344750092 /nfs/dbraw/zinc/75/00/92/1344750092.db2.gz MRSBPHCBYZPACL-FQEVSTJZSA-N 1 2 344.458 3.031 20 30 EGEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)c1cccc2c1CCC2 ZINC001039066977 1344750094 /nfs/dbraw/zinc/75/00/94/1344750094.db2.gz MRSBPHCBYZPACL-FQEVSTJZSA-N 1 2 344.458 3.031 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1c(C)noc1C ZINC001039810379 1345196279 /nfs/dbraw/zinc/19/62/79/1345196279.db2.gz CAMPPGKAJJXHNN-CALCHBBNSA-N 1 2 345.487 3.459 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1c(C)noc1C ZINC001039810379 1345196281 /nfs/dbraw/zinc/19/62/81/1345196281.db2.gz CAMPPGKAJJXHNN-CALCHBBNSA-N 1 2 345.487 3.459 20 30 EGEDLO C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3C[C@H](F)CC)cc1 ZINC001039817026 1345198397 /nfs/dbraw/zinc/19/83/97/1345198397.db2.gz GLRTYIDZCBMRTM-QRVBRYPASA-N 1 2 328.431 3.095 20 30 EGEDLO C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3C[C@H](F)CC)cc1 ZINC001039817026 1345198401 /nfs/dbraw/zinc/19/84/01/1345198401.db2.gz GLRTYIDZCBMRTM-QRVBRYPASA-N 1 2 328.431 3.095 20 30 EGEDLO CC(C)c1cc(N[C@H]2CCN(C(=O)[C@H](C)C#N)[C@H]2C)nc(C(C)C)[nH+]1 ZINC001040074797 1345323605 /nfs/dbraw/zinc/32/36/05/1345323605.db2.gz SGWLACBDEKUVKV-ILXRZTDVSA-N 1 2 343.475 3.284 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@]2(CC[N@@H+]([C@H](C)c3csnn3)C2)C1 ZINC001041536550 1345755753 /nfs/dbraw/zinc/75/57/53/1345755753.db2.gz PGGBJFNKNIBTFM-KDOFPFPSSA-N 1 2 348.516 3.126 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@]2(CC[N@H+]([C@H](C)c3csnn3)C2)C1 ZINC001041536550 1345755755 /nfs/dbraw/zinc/75/57/55/1345755755.db2.gz PGGBJFNKNIBTFM-KDOFPFPSSA-N 1 2 348.516 3.126 20 30 EGEDLO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3c(Cl)[nH]nc3C3CC3)C[C@@H]21 ZINC001042091082 1345941645 /nfs/dbraw/zinc/94/16/45/1345941645.db2.gz QCWRQQZXAYCNIH-OCCSQVGLSA-N 1 2 348.878 3.053 20 30 EGEDLO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c(Cl)[nH]nc3C3CC3)C[C@@H]21 ZINC001042091082 1345941646 /nfs/dbraw/zinc/94/16/46/1345941646.db2.gz QCWRQQZXAYCNIH-OCCSQVGLSA-N 1 2 348.878 3.053 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3c(C)onc3C3CC3)C[C@@H]21 ZINC001042156576 1345958845 /nfs/dbraw/zinc/95/88/45/1345958845.db2.gz UUMIKCCYUIEAIG-ZFWWWQNUSA-N 1 2 349.862 3.149 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3c(C)onc3C3CC3)C[C@@H]21 ZINC001042156576 1345958846 /nfs/dbraw/zinc/95/88/46/1345958846.db2.gz UUMIKCCYUIEAIG-ZFWWWQNUSA-N 1 2 349.862 3.149 20 30 EGEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1C[NH+](Cc2ccc(C3CCC3)cc2)C1 ZINC001042629230 1346098944 /nfs/dbraw/zinc/09/89/44/1346098944.db2.gz WEHMHPODGKIWON-UHFFFAOYSA-N 1 2 348.450 3.110 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)c2ccoc2C)CC1 ZINC001045358720 1346572919 /nfs/dbraw/zinc/57/29/19/1346572919.db2.gz CZGOZQPWSJNNAD-UHFFFAOYSA-N 1 2 341.249 3.081 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)C2CCCCC2)CC1 ZINC001045349156 1346568843 /nfs/dbraw/zinc/56/88/43/1346568843.db2.gz IAJCIMOPTXDNLF-UHFFFAOYSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@H](F)C2)CC1 ZINC001045539149 1346622440 /nfs/dbraw/zinc/62/24/40/1346622440.db2.gz SCRGIDAIXVBSET-OLZOCXBDSA-N 1 2 347.272 3.004 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@H]2C[C@]2(C)CC)CC1 ZINC001045607416 1346644630 /nfs/dbraw/zinc/64/46/30/1346644630.db2.gz VSOZPVPUWFIZPU-HIFRSBDPSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nccn1CC ZINC001045840026 1346715751 /nfs/dbraw/zinc/71/57/51/1346715751.db2.gz BOFYIALRRACWKH-UWVAXJGDSA-N 1 2 344.503 3.071 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1nccn1CC ZINC001045840026 1346715752 /nfs/dbraw/zinc/71/57/52/1346715752.db2.gz BOFYIALRRACWKH-UWVAXJGDSA-N 1 2 344.503 3.071 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001046479875 1346989095 /nfs/dbraw/zinc/98/90/95/1346989095.db2.gz LJQKCMBZOFYJQA-XJKCOSOUSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001046479875 1346989097 /nfs/dbraw/zinc/98/90/97/1346989097.db2.gz LJQKCMBZOFYJQA-XJKCOSOUSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C1CCC(C(=O)N[C@]2(C)CC[N@H+](Cc3ncc(C4CC4)o3)C2)CC1 ZINC001046594735 1347031163 /nfs/dbraw/zinc/03/11/63/1347031163.db2.gz OCYYYUPRPRHTRD-HXUWFJFHSA-N 1 2 343.471 3.379 20 30 EGEDLO C=C1CCC(C(=O)N[C@]2(C)CC[N@@H+](Cc3ncc(C4CC4)o3)C2)CC1 ZINC001046594735 1347031164 /nfs/dbraw/zinc/03/11/64/1347031164.db2.gz OCYYYUPRPRHTRD-HXUWFJFHSA-N 1 2 343.471 3.379 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC001046689887 1347063269 /nfs/dbraw/zinc/06/32/69/1347063269.db2.gz OFLJRVKLQXQFCT-CPUCHLNUSA-N 1 2 338.904 3.493 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC001046689887 1347063271 /nfs/dbraw/zinc/06/32/71/1347063271.db2.gz OFLJRVKLQXQFCT-CPUCHLNUSA-N 1 2 338.904 3.493 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccnc(C3CCCC3)n2)C1 ZINC001046740501 1347078081 /nfs/dbraw/zinc/07/80/81/1347078081.db2.gz VEBXJSIAVJEKIK-GOSISDBHSA-N 1 2 348.878 3.081 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccnc(C3CCCC3)n2)C1 ZINC001046740501 1347078082 /nfs/dbraw/zinc/07/80/82/1347078082.db2.gz VEBXJSIAVJEKIK-GOSISDBHSA-N 1 2 348.878 3.081 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc3ccncc3c2)C1 ZINC001046752054 1347083334 /nfs/dbraw/zinc/08/33/34/1347083334.db2.gz XHDITLDBBKUVHL-SFHVURJKSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc3ccncc3c2)C1 ZINC001046752054 1347083335 /nfs/dbraw/zinc/08/33/35/1347083335.db2.gz XHDITLDBBKUVHL-SFHVURJKSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001046919159 1347154143 /nfs/dbraw/zinc/15/41/43/1347154143.db2.gz PXUHOQXVNXKWDC-KBPBESRZSA-N 1 2 332.822 3.169 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001046919159 1347154145 /nfs/dbraw/zinc/15/41/45/1347154145.db2.gz PXUHOQXVNXKWDC-KBPBESRZSA-N 1 2 332.822 3.169 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)C2CC3(CCC3)C2)C1 ZINC001046961869 1347167156 /nfs/dbraw/zinc/16/71/56/1347167156.db2.gz TYHSRQZSYJIUCN-CQSZACIVSA-N 1 2 346.849 3.393 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2CC3(CCC3)C2)C1 ZINC001046961869 1347167158 /nfs/dbraw/zinc/16/71/58/1347167158.db2.gz TYHSRQZSYJIUCN-CQSZACIVSA-N 1 2 346.849 3.393 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)CC ZINC001049343363 1347798637 /nfs/dbraw/zinc/79/86/37/1347798637.db2.gz JVRFHBJBQUXUKP-IACUBPJLSA-N 1 2 329.282 3.006 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)CC ZINC001049343363 1347798639 /nfs/dbraw/zinc/79/86/39/1347798639.db2.gz JVRFHBJBQUXUKP-IACUBPJLSA-N 1 2 329.282 3.006 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(=C)Br ZINC001049635887 1347946279 /nfs/dbraw/zinc/94/62/79/1347946279.db2.gz NKAAWRUJXJUMNP-ZIAGYGMSSA-N 1 2 341.293 3.173 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(=C)Br ZINC001049635887 1347946282 /nfs/dbraw/zinc/94/62/82/1347946282.db2.gz NKAAWRUJXJUMNP-ZIAGYGMSSA-N 1 2 341.293 3.173 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1nnc(C)s1 ZINC001049635944 1347946233 /nfs/dbraw/zinc/94/62/33/1347946233.db2.gz WYLOWBGCYIXVEK-LSDHHAIUSA-N 1 2 348.516 3.014 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1nnc(C)s1 ZINC001049635944 1347946234 /nfs/dbraw/zinc/94/62/34/1347946234.db2.gz WYLOWBGCYIXVEK-LSDHHAIUSA-N 1 2 348.516 3.014 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1nc(Cl)cs1 ZINC001049669808 1347965164 /nfs/dbraw/zinc/96/51/64/1347965164.db2.gz AOBRQHOPEVTMMM-QWRGUYRKSA-N 1 2 346.283 3.228 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1nc(Cl)cs1 ZINC001049669808 1347965166 /nfs/dbraw/zinc/96/51/66/1347965166.db2.gz AOBRQHOPEVTMMM-QWRGUYRKSA-N 1 2 346.283 3.228 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3Cc2cscn2)C1 ZINC001049703528 1347981590 /nfs/dbraw/zinc/98/15/90/1347981590.db2.gz SVWQSOXHEZOPCX-JKSUJKDBSA-N 1 2 331.485 3.065 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3Cc2cscn2)C1 ZINC001049703528 1347981592 /nfs/dbraw/zinc/98/15/92/1347981592.db2.gz SVWQSOXHEZOPCX-JKSUJKDBSA-N 1 2 331.485 3.065 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1nc(C2CC2)oc1C ZINC001049829339 1348043847 /nfs/dbraw/zinc/04/38/47/1348043847.db2.gz SPKZGWUCWFFUIC-CABCVRRESA-N 1 2 349.862 3.292 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1nc(C2CC2)oc1C ZINC001049829339 1348043849 /nfs/dbraw/zinc/04/38/49/1348043849.db2.gz SPKZGWUCWFFUIC-CABCVRRESA-N 1 2 349.862 3.292 20 30 EGEDLO C[C@@H]1C[C@@H]1C(=O)NCc1ccccc1C[N@H+](C)Cc1ccccc1C#N ZINC001050242084 1348215503 /nfs/dbraw/zinc/21/55/03/1348215503.db2.gz NLAAQVAKNVIOSU-IERDGZPVSA-N 1 2 347.462 3.462 20 30 EGEDLO C[C@@H]1C[C@@H]1C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccccc1C#N ZINC001050242084 1348215504 /nfs/dbraw/zinc/21/55/04/1348215504.db2.gz NLAAQVAKNVIOSU-IERDGZPVSA-N 1 2 347.462 3.462 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(C)cc1Cl ZINC001051127734 1348396370 /nfs/dbraw/zinc/39/63/70/1348396370.db2.gz SANWSXAONIZQAM-OAHLLOKOSA-N 1 2 336.863 3.045 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(C)cc1Cl ZINC001051127734 1348396374 /nfs/dbraw/zinc/39/63/74/1348396374.db2.gz SANWSXAONIZQAM-OAHLLOKOSA-N 1 2 336.863 3.045 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)c3cc(C)no3)cccc2C1 ZINC001051279145 1348415515 /nfs/dbraw/zinc/41/55/15/1348415515.db2.gz VDOMLDKTEPNFDN-UHFFFAOYSA-N 1 2 345.830 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)c3cc(C)no3)cccc2C1 ZINC001051279145 1348415516 /nfs/dbraw/zinc/41/55/16/1348415516.db2.gz VDOMLDKTEPNFDN-UHFFFAOYSA-N 1 2 345.830 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)C3=COCCC3)cccc2C1 ZINC001051280756 1348416112 /nfs/dbraw/zinc/41/61/12/1348416112.db2.gz XWHXPIDSLLUCJL-UHFFFAOYSA-N 1 2 346.858 3.108 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)C3=COCCC3)cccc2C1 ZINC001051280756 1348416113 /nfs/dbraw/zinc/41/61/13/1348416113.db2.gz XWHXPIDSLLUCJL-UHFFFAOYSA-N 1 2 346.858 3.108 20 30 EGEDLO C=C1CCC(C(=O)N2CCCC[C@H]2CN(C)c2cc[nH+]c(C)n2)CC1 ZINC001051346032 1348439034 /nfs/dbraw/zinc/43/90/34/1348439034.db2.gz OBNYXOKNIWVMOC-SFHVURJKSA-N 1 2 342.487 3.349 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1CC(C)(C)CC(C)(C)C1)O2 ZINC001053638954 1349082814 /nfs/dbraw/zinc/08/28/14/1349082814.db2.gz DVQWVKZFRPRAGH-KRWDZBQOSA-N 1 2 348.531 3.375 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(CCC)cc1)O2 ZINC001053654282 1349087662 /nfs/dbraw/zinc/08/76/62/1349087662.db2.gz IBUTWHLGVWZTTJ-LJQANCHMSA-N 1 2 342.483 3.178 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccc(C3CC3)c1)O2 ZINC001053702160 1349099559 /nfs/dbraw/zinc/09/95/59/1349099559.db2.gz QTCAXLHSALSMPC-LJQANCHMSA-N 1 2 340.467 3.103 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc3sccc3s1)CO2 ZINC001053847146 1349116661 /nfs/dbraw/zinc/11/66/61/1349116661.db2.gz ZXAYKCGQMGVFOG-LBPRGKRZSA-N 1 2 348.493 3.112 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3sccc3c1)CO2 ZINC001053970024 1349126733 /nfs/dbraw/zinc/12/67/33/1349126733.db2.gz DGIVCWJKIPGAAI-MRXNPFEDSA-N 1 2 342.464 3.051 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc4[nH]ccc4s3)cc2C1 ZINC001054290677 1349295411 /nfs/dbraw/zinc/29/54/11/1349295411.db2.gz SNQPSCPEMLHIOA-UHFFFAOYSA-N 1 2 335.432 3.108 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc4[nH]ccc4s3)cc2C1 ZINC001054290677 1349295414 /nfs/dbraw/zinc/29/54/14/1349295414.db2.gz SNQPSCPEMLHIOA-UHFFFAOYSA-N 1 2 335.432 3.108 20 30 EGEDLO COc1cc(Br)cc(OC)c1C[NH+]1CCC(S)CC1 ZINC001232697583 1376505707 /nfs/dbraw/zinc/50/57/07/1376505707.db2.gz WBIXNDXBNXWIAQ-UHFFFAOYSA-N 1 2 346.290 3.361 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3cc(C)[nH+]c(C4CC4)n3)C2)cc1 ZINC001059783120 1350585153 /nfs/dbraw/zinc/58/51/53/1350585153.db2.gz IJRIYBOKCBLBMH-HDICACEKSA-N 1 2 346.434 3.017 20 30 EGEDLO CC(C)c1cc(NC[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)nc(C(C)C)[nH+]1 ZINC001060826469 1351139396 /nfs/dbraw/zinc/13/93/96/1351139396.db2.gz YPBIPCJATUHXJD-CABCVRRESA-N 1 2 343.475 3.143 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001061244914 1351327186 /nfs/dbraw/zinc/32/71/86/1351327186.db2.gz RWHAXKOHMUWDTQ-MRXNPFEDSA-N 1 2 330.476 3.041 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3c(F)cccc3F)C[C@H]2C)C1 ZINC001080404358 1357608509 /nfs/dbraw/zinc/60/85/09/1357608509.db2.gz DRSNMUNONQUHSM-CXAGYDPISA-N 1 2 334.410 3.258 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3c(F)cccc3F)C[C@H]2C)C1 ZINC001080404358 1357608513 /nfs/dbraw/zinc/60/85/13/1357608513.db2.gz DRSNMUNONQUHSM-CXAGYDPISA-N 1 2 334.410 3.258 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(N(C)CC)cc3)[C@@H]2C1 ZINC001084865020 1358334995 /nfs/dbraw/zinc/33/49/95/1358334995.db2.gz ACZIIXBJAPGSRY-SJLPKXTDSA-N 1 2 347.890 3.042 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(N(C)CC)cc3)[C@@H]2C1 ZINC001084865020 1358335001 /nfs/dbraw/zinc/33/50/01/1358335001.db2.gz ACZIIXBJAPGSRY-SJLPKXTDSA-N 1 2 347.890 3.042 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CCCC[C@@H]3CC)c2C1 ZINC001069879830 1354292170 /nfs/dbraw/zinc/29/21/70/1354292170.db2.gz VIWZKJRKCRZNQV-WMZOPIPTSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CCCC[C@@H]3CC)c2C1 ZINC001069879830 1354292174 /nfs/dbraw/zinc/29/21/74/1354292174.db2.gz VIWZKJRKCRZNQV-WMZOPIPTSA-N 1 2 344.503 3.107 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C2CCCC2)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC001071293208 1354542839 /nfs/dbraw/zinc/54/28/39/1354542839.db2.gz BJVKLFWEAJUPCN-KDOFPFPSSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C2CCCC2)C[N@H+]1Cc1cc(C#N)ccc1F ZINC001071293208 1354542842 /nfs/dbraw/zinc/54/28/42/1354542842.db2.gz BJVKLFWEAJUPCN-KDOFPFPSSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)c2ccoc2)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC001071350713 1354620020 /nfs/dbraw/zinc/62/00/20/1354620020.db2.gz YXLNIYUWZZTQMI-SUMWQHHRSA-N 1 2 341.386 3.073 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)c2ccoc2)C[N@H+]1Cc1cc(C#N)ccc1F ZINC001071350713 1354620021 /nfs/dbraw/zinc/62/00/21/1354620021.db2.gz YXLNIYUWZZTQMI-SUMWQHHRSA-N 1 2 341.386 3.073 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)CC2CCC2)CC[C@H]1C ZINC001071398835 1354660889 /nfs/dbraw/zinc/66/08/89/1354660889.db2.gz KFLQLHQXZCGPKD-TZMCWYRMSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)CC2CCC2)CC[C@H]1C ZINC001071398835 1354660896 /nfs/dbraw/zinc/66/08/96/1354660896.db2.gz KFLQLHQXZCGPKD-TZMCWYRMSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2nc(C(C)C)oc2C)CC[C@@H]1C ZINC001071508479 1354733982 /nfs/dbraw/zinc/73/39/82/1354733982.db2.gz OQERLZRPWSDAIN-GXTWGEPZSA-N 1 2 339.867 3.442 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2nc(C(C)C)oc2C)CC[C@@H]1C ZINC001071508479 1354733985 /nfs/dbraw/zinc/73/39/85/1354733985.db2.gz OQERLZRPWSDAIN-GXTWGEPZSA-N 1 2 339.867 3.442 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cccc3c2COCC3)CC[C@H]1C ZINC001071564106 1354765755 /nfs/dbraw/zinc/76/57/55/1354765755.db2.gz AAIQCCXFHSHCHC-ZBFHGGJFSA-N 1 2 348.874 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cccc3c2COCC3)CC[C@H]1C ZINC001071564106 1354765758 /nfs/dbraw/zinc/76/57/58/1354765758.db2.gz AAIQCCXFHSHCHC-ZBFHGGJFSA-N 1 2 348.874 3.095 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc3oc(C)nc3c2)CC[C@H]1C ZINC001071600627 1354788926 /nfs/dbraw/zinc/78/89/26/1354788926.db2.gz OJVLNLCOAMTNSV-DOMZBBRYSA-N 1 2 347.846 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc3oc(C)nc3c2)CC[C@H]1C ZINC001071600627 1354788929 /nfs/dbraw/zinc/78/89/29/1354788929.db2.gz OJVLNLCOAMTNSV-DOMZBBRYSA-N 1 2 347.846 3.471 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2nc(C)sc2C)CC[C@@H]1C ZINC001071606535 1354791675 /nfs/dbraw/zinc/79/16/75/1354791675.db2.gz JUOVFXWIQQHHIA-GWCFXTLKSA-N 1 2 327.881 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2nc(C)sc2C)CC[C@@H]1C ZINC001071606535 1354791679 /nfs/dbraw/zinc/79/16/79/1354791679.db2.gz JUOVFXWIQQHHIA-GWCFXTLKSA-N 1 2 327.881 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc(C)n(CC)c2C)CC[C@H]1C ZINC001071663404 1354834820 /nfs/dbraw/zinc/83/48/20/1354834820.db2.gz MWNGQHPDGNWFEG-CJNGLKHVSA-N 1 2 337.895 3.460 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc(C)n(CC)c2C)CC[C@H]1C ZINC001071663404 1354834824 /nfs/dbraw/zinc/83/48/24/1354834824.db2.gz MWNGQHPDGNWFEG-CJNGLKHVSA-N 1 2 337.895 3.460 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3ncc(CC)o3)C2)CC1 ZINC001071789412 1354934864 /nfs/dbraw/zinc/93/48/64/1354934864.db2.gz TYUQNCMNCAVIBA-NVXWUHKLSA-N 1 2 345.487 3.453 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3ncc(CC)o3)C2)CC1 ZINC001071789412 1354934866 /nfs/dbraw/zinc/93/48/66/1354934866.db2.gz TYUQNCMNCAVIBA-NVXWUHKLSA-N 1 2 345.487 3.453 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cccc(OC)c2C)CC[C@@H]1C ZINC001071855459 1354983620 /nfs/dbraw/zinc/98/36/20/1354983620.db2.gz PZPPKNNICUHQPB-DZGCQCFKSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccc(OC)c2C)CC[C@@H]1C ZINC001071855459 1354983621 /nfs/dbraw/zinc/98/36/21/1354983621.db2.gz PZPPKNNICUHQPB-DZGCQCFKSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2csc(C3CC3)n2)CC[C@@H]1C ZINC001072112643 1355137784 /nfs/dbraw/zinc/13/77/84/1355137784.db2.gz DBCAPHFXPLSDKM-AAEUAGOBSA-N 1 2 339.892 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2csc(C3CC3)n2)CC[C@@H]1C ZINC001072112643 1355137789 /nfs/dbraw/zinc/13/77/89/1355137789.db2.gz DBCAPHFXPLSDKM-AAEUAGOBSA-N 1 2 339.892 3.356 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C3CC3)o1)C2 ZINC001072945336 1355513592 /nfs/dbraw/zinc/51/35/92/1355513592.db2.gz ZURNGILQVHEHGL-IBGZPJMESA-N 1 2 343.471 3.189 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C3CC3)o1)C2 ZINC001072945336 1355513593 /nfs/dbraw/zinc/51/35/93/1355513593.db2.gz ZURNGILQVHEHGL-IBGZPJMESA-N 1 2 343.471 3.189 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C(C)C)o1)C2 ZINC001072951741 1355518462 /nfs/dbraw/zinc/51/84/62/1355518462.db2.gz SWJLQTHOXQGXPB-LJQANCHMSA-N 1 2 345.487 3.435 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C(C)C)o1)C2 ZINC001072951741 1355518465 /nfs/dbraw/zinc/51/84/65/1355518465.db2.gz SWJLQTHOXQGXPB-LJQANCHMSA-N 1 2 345.487 3.435 20 30 EGEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3sccc3C3CC3)C[C@H]21 ZINC001074398219 1356193968 /nfs/dbraw/zinc/19/39/68/1356193968.db2.gz UPZPWUGDZVOFNW-SJORKVTESA-N 1 2 346.496 3.117 20 30 EGEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3sccc3C3CC3)C[C@H]21 ZINC001074398219 1356193969 /nfs/dbraw/zinc/19/39/69/1356193969.db2.gz UPZPWUGDZVOFNW-SJORKVTESA-N 1 2 346.496 3.117 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084698025 1358284903 /nfs/dbraw/zinc/28/49/03/1358284903.db2.gz HAKYNLKWSSTSRR-IDHHARJASA-N 1 2 343.446 3.022 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084698025 1358284906 /nfs/dbraw/zinc/28/49/06/1358284906.db2.gz HAKYNLKWSSTSRR-IDHHARJASA-N 1 2 343.446 3.022 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(c4ccccc4)CC3)[C@@H]2C1 ZINC001084812760 1358317913 /nfs/dbraw/zinc/31/79/13/1358317913.db2.gz XPFNYROGNUWEAY-NVXWUHKLSA-N 1 2 330.859 3.003 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3(c4ccccc4)CC3)[C@@H]2C1 ZINC001084812760 1358317917 /nfs/dbraw/zinc/31/79/17/1358317917.db2.gz XPFNYROGNUWEAY-NVXWUHKLSA-N 1 2 330.859 3.003 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C)c4c3CCC4)[C@@H]2C1 ZINC001084858142 1358331072 /nfs/dbraw/zinc/33/10/72/1358331072.db2.gz MEIVCWUMLQWBJF-DNVCBOLYSA-N 1 2 344.886 3.383 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C)c4c3CCC4)[C@@H]2C1 ZINC001084858142 1358331074 /nfs/dbraw/zinc/33/10/74/1358331074.db2.gz MEIVCWUMLQWBJF-DNVCBOLYSA-N 1 2 344.886 3.383 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1)C(=O)C1CCCC1 ZINC001085451067 1358503848 /nfs/dbraw/zinc/50/38/48/1358503848.db2.gz IXQGDJJKUYCALK-IBGZPJMESA-N 1 2 344.886 3.414 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1)C(=O)C1CCCC1 ZINC001085451067 1358503850 /nfs/dbraw/zinc/50/38/50/1358503850.db2.gz IXQGDJJKUYCALK-IBGZPJMESA-N 1 2 344.886 3.414 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1)C(=O)[C@@H]1CC1(C)C ZINC001085551534 1358587650 /nfs/dbraw/zinc/58/76/50/1358587650.db2.gz BXXIIPMHRNHRCL-MSOLQXFVSA-N 1 2 344.886 3.270 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1)C(=O)[C@@H]1CC1(C)C ZINC001085551534 1358587654 /nfs/dbraw/zinc/58/76/54/1358587654.db2.gz BXXIIPMHRNHRCL-MSOLQXFVSA-N 1 2 344.886 3.270 20 30 EGEDLO Cc1sccc1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001085587197 1358616354 /nfs/dbraw/zinc/61/63/54/1358616354.db2.gz LQRKCVFKCWGCLI-SFHVURJKSA-N 1 2 338.476 3.255 20 30 EGEDLO Cc1sccc1C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001085587197 1358616357 /nfs/dbraw/zinc/61/63/57/1358616357.db2.gz LQRKCVFKCWGCLI-SFHVURJKSA-N 1 2 338.476 3.255 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)C1CC2(CCC2)C1 ZINC001085767707 1358742965 /nfs/dbraw/zinc/74/29/65/1358742965.db2.gz PKWBGYATDSEVAS-LJQANCHMSA-N 1 2 337.467 3.171 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)C1CC2(CCC2)C1 ZINC001085767707 1358742969 /nfs/dbraw/zinc/74/29/69/1358742969.db2.gz PKWBGYATDSEVAS-LJQANCHMSA-N 1 2 337.467 3.171 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@H]1CCCC1(C)C ZINC001085771832 1358744090 /nfs/dbraw/zinc/74/40/90/1358744090.db2.gz KVSHPZCPKQWRCO-VQTJNVASSA-N 1 2 338.495 3.397 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@H]1CCCC1(C)C ZINC001085771832 1358744092 /nfs/dbraw/zinc/74/40/92/1358744092.db2.gz KVSHPZCPKQWRCO-VQTJNVASSA-N 1 2 338.495 3.397 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@H]1CCC(C)(C)C1 ZINC001085802890 1358779207 /nfs/dbraw/zinc/77/92/07/1358779207.db2.gz DNQNYYSPGLIQMU-QFBILLFUSA-N 1 2 339.483 3.417 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@H]1CCC(C)(C)C1 ZINC001085802890 1358779212 /nfs/dbraw/zinc/77/92/12/1358779212.db2.gz DNQNYYSPGLIQMU-QFBILLFUSA-N 1 2 339.483 3.417 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C=C2CCC2)C1 ZINC001086582398 1359154970 /nfs/dbraw/zinc/15/49/70/1359154970.db2.gz OECHPSIAPYPZNA-ZWKOTPCHSA-N 1 2 330.859 3.433 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C=C2CCC2)C1 ZINC001086582398 1359154972 /nfs/dbraw/zinc/15/49/72/1359154972.db2.gz OECHPSIAPYPZNA-ZWKOTPCHSA-N 1 2 330.859 3.433 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2sc(C)cc2OC)[C@H]1CC ZINC001087748407 1359625565 /nfs/dbraw/zinc/62/55/65/1359625565.db2.gz GFXCMFAGAPONFS-QWHCGFSZSA-N 1 2 342.892 3.400 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2sc(C)cc2OC)[C@H]1CC ZINC001087748407 1359625567 /nfs/dbraw/zinc/62/55/67/1359625567.db2.gz GFXCMFAGAPONFS-QWHCGFSZSA-N 1 2 342.892 3.400 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C2CCCCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088450890 1359915098 /nfs/dbraw/zinc/91/50/98/1359915098.db2.gz JRLHTMJCTZGKKN-KUHUBIRLSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C2CCCCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001088450890 1359915101 /nfs/dbraw/zinc/91/51/01/1359915101.db2.gz JRLHTMJCTZGKKN-KUHUBIRLSA-N 1 2 343.446 3.357 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)c(F)c2)[C@H]1C ZINC001088877252 1360084815 /nfs/dbraw/zinc/08/48/15/1360084815.db2.gz GTFJAUKDZMLFMJ-YGRLFVJLSA-N 1 2 331.218 3.424 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)c(F)c2)[C@H]1C ZINC001088877252 1360084819 /nfs/dbraw/zinc/08/48/19/1360084819.db2.gz GTFJAUKDZMLFMJ-YGRLFVJLSA-N 1 2 331.218 3.424 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089128619 1360190075 /nfs/dbraw/zinc/19/00/75/1360190075.db2.gz YCZACKOUOMBWLF-RDTXWAMCSA-N 1 2 342.487 3.069 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089128618 1360190481 /nfs/dbraw/zinc/19/04/81/1360190481.db2.gz YCZACKOUOMBWLF-KSSFIOAISA-N 1 2 342.487 3.069 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@H](C)N(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001089128805 1360190776 /nfs/dbraw/zinc/19/07/76/1360190776.db2.gz HEEIDOHKEVZACL-GOEBONIOSA-N 1 2 328.460 3.102 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)N(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001089149989 1360205202 /nfs/dbraw/zinc/20/52/02/1360205202.db2.gz NHGMZWINXLAQJW-NVXWUHKLSA-N 1 2 342.487 3.492 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089158918 1360214463 /nfs/dbraw/zinc/21/44/63/1360214463.db2.gz JZRPQNFCUBYIMC-MLGOLLRUSA-N 1 2 330.476 3.088 20 30 EGEDLO Cc1cc(NCCCC[C@H](C)NC(=O)C#CC(C)C)nc(C2CC2)[nH+]1 ZINC001090087805 1360819257 /nfs/dbraw/zinc/81/92/57/1360819257.db2.gz ZQDGKKKYKWTJPF-HNNXBMFYSA-N 1 2 342.487 3.409 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H](CNc2cc[nH+]c(C)n2)[C@@H](C)C1 ZINC001090277157 1360883897 /nfs/dbraw/zinc/88/38/97/1360883897.db2.gz PTBZXJAQMCIUAC-YJBOKZPZSA-N 1 2 342.487 3.450 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@H]21 ZINC001090342568 1360893055 /nfs/dbraw/zinc/89/30/55/1360893055.db2.gz XFIYUTPAUYOFGL-DLBZAZTESA-N 1 2 342.487 3.302 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001091504591 1361128340 /nfs/dbraw/zinc/12/83/40/1361128340.db2.gz JIFVXEPTAUBAGN-WKILWMFISA-N 1 2 342.487 3.327 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001092016801 1361274723 /nfs/dbraw/zinc/27/47/23/1361274723.db2.gz GXWRPDTXHSTYTP-ZBFHGGJFSA-N 1 2 342.487 3.348 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)CC(C)(C)C1 ZINC001092089706 1361299332 /nfs/dbraw/zinc/29/93/32/1361299332.db2.gz SXSSJQSWITWEQJ-MRXNPFEDSA-N 1 2 344.503 3.499 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001092917696 1361487406 /nfs/dbraw/zinc/48/74/06/1361487406.db2.gz HPVHQPBEYXXPQC-NHAYFPRASA-N 1 2 342.487 3.230 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001093036520 1361513459 /nfs/dbraw/zinc/51/34/59/1361513459.db2.gz AKNJVMZXNVJWST-PILAGYSTSA-N 1 2 342.487 3.176 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)CC3(C)CCCC3)CC2)C1 ZINC001093533632 1361636785 /nfs/dbraw/zinc/63/67/85/1361636785.db2.gz SDHUULLJGZCFFB-UHFFFAOYSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCC(C)=C(C)C3)CC2)C1 ZINC001093538687 1361637436 /nfs/dbraw/zinc/63/74/36/1361637436.db2.gz HKGFMCUZXDZOOH-GOSISDBHSA-N 1 2 346.515 3.391 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[C@H]3CC[C@H](C)C3)CC2)C1 ZINC001093562533 1361643252 /nfs/dbraw/zinc/64/32/52/1361643252.db2.gz UUIROKXZEOEPDP-IRXDYDNUSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@]3(C)CCC[C@H]3C)CC2)C1 ZINC001093569695 1361645256 /nfs/dbraw/zinc/64/52/56/1361645256.db2.gz HPENTHGXMDZQCI-UZLBHIALSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@]3(C)CCC[C@@H]3C)CC2)C1 ZINC001093569690 1361645352 /nfs/dbraw/zinc/64/53/52/1361645352.db2.gz HPENTHGXMDZQCI-JXFKEZNVSA-N 1 2 334.504 3.081 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cc(C)c(CC)s3)CC2)C1 ZINC001093595954 1361652463 /nfs/dbraw/zinc/65/24/63/1361652463.db2.gz WRWSRSWBKXTPCD-UHFFFAOYSA-N 1 2 348.512 3.110 20 30 EGEDLO Cc1cc(NCCCNC(=O)CC#Cc2ccccc2)nc(C2CC2)[nH+]1 ZINC001094449619 1361805469 /nfs/dbraw/zinc/80/54/69/1361805469.db2.gz RQSZIHPNXIHQNI-UHFFFAOYSA-N 1 2 348.450 3.022 20 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1387554926 /nfs/dbraw/zinc/55/49/26/1387554926.db2.gz SUAQOSAGZLXBQY-JKSUJKDBSA-N 1 2 346.475 3.028 20 30 EGEDLO C=C1CC(C)(C(=O)NCC2CCN(c3nc(C)[nH+]c(C)c3C)CC2)C1 ZINC001095382205 1362123149 /nfs/dbraw/zinc/12/31/49/1362123149.db2.gz VWGFLUVAZVURPY-UHFFFAOYSA-N 1 2 342.487 3.091 20 30 EGEDLO C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)C=CCC1 ZINC001095880580 1362267839 /nfs/dbraw/zinc/26/78/39/1362267839.db2.gz QQRLQVMYGUJZME-JKBKZWBZSA-N 1 2 335.451 3.136 20 30 EGEDLO C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)C=CCC1 ZINC001095880580 1362267841 /nfs/dbraw/zinc/26/78/41/1362267841.db2.gz QQRLQVMYGUJZME-JKBKZWBZSA-N 1 2 335.451 3.136 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCCN(CC)c1nc(C)[nH+]c(C)c1C ZINC001095947766 1362300809 /nfs/dbraw/zinc/30/08/09/1362300809.db2.gz ZVUDONVMTKAUGQ-UONOGXRCSA-N 1 2 332.492 3.193 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCCN(CC)c1nc(C)[nH+]c(C)c1C ZINC001095957536 1362307560 /nfs/dbraw/zinc/30/75/60/1362307560.db2.gz 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EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(Cl)c1)C2 ZINC001096409871 1362494854 /nfs/dbraw/zinc/49/48/54/1362494854.db2.gz CFKCLHZGNNHEOX-ILXRZTDVSA-N 1 2 325.239 3.428 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CCN(c3cc(C)[nH+]c(C(C)C)n3)C2)CC1 ZINC001096478505 1362528642 /nfs/dbraw/zinc/52/86/42/1362528642.db2.gz KZLRYYTWWIWMIJ-INIZCTEOSA-N 1 2 342.487 3.350 20 30 EGEDLO C#CCCCCC(=O)N(CCC)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001096543889 1362567333 /nfs/dbraw/zinc/56/73/33/1362567333.db2.gz LTQJIBMDGFZXMB-UHFFFAOYSA-N 1 2 342.487 3.186 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H](C)C2CCC2)CC1 ZINC001483968599 1395167998 /nfs/dbraw/zinc/16/79/98/1395167998.db2.gz YJCNMIRANVVALE-ZDUSSCGKSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097087873 1362837996 /nfs/dbraw/zinc/83/79/96/1362837996.db2.gz BLFUJFBFDRNLCP-SHTZXODSSA-N 1 2 328.460 3.324 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1C[C@@H](Nc2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC001097179800 1362876022 /nfs/dbraw/zinc/87/60/22/1362876022.db2.gz BEJKSCICBHKHSR-IYBDPMFKSA-N 1 2 342.487 3.442 20 30 EGEDLO Cc1nc(NC[C@H]2CCCCN2C(=O)CC#Cc2ccccc2)cc[nH+]1 ZINC001097488396 1363016958 /nfs/dbraw/zinc/01/69/58/1363016958.db2.gz SMIZCWDWRIIHGI-LJQANCHMSA-N 1 2 348.450 3.020 20 30 EGEDLO C=CCCC1(C(=O)N[C@H](C)[C@H]2CCCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001097544088 1363052042 /nfs/dbraw/zinc/05/20/42/1363052042.db2.gz YOGBIIKARJBKDK-WBVHZDCISA-N 1 2 342.487 3.253 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ncc(C(C)(C)C)o2)C1 ZINC001185064535 1387607647 /nfs/dbraw/zinc/60/76/47/1387607647.db2.gz RANAFYQJDIQFIV-HUUCEWRRSA-N 1 2 333.476 3.265 20 30 EGEDLO C#CCCCCCC(=O)N1C[C@@H]2CC[C@@H](Nc3cc[nH+]c(C)n3)[C@@H]2C1 ZINC001097604771 1363069338 /nfs/dbraw/zinc/06/93/38/1363069338.db2.gz QCDQSCAHQGZAMN-RCCFBDPRSA-N 1 2 340.471 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3ccccc3C1)C2 ZINC001097929857 1363169675 /nfs/dbraw/zinc/16/96/75/1363169675.db2.gz 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CC(C)c1ocnc1C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)C#N ZINC001098981502 1363554244 /nfs/dbraw/zinc/55/42/44/1363554244.db2.gz CTDMGQUSYSQAJJ-HUUCEWRRSA-N 1 2 346.475 3.064 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ncccn1 ZINC001099194923 1363686374 /nfs/dbraw/zinc/68/63/74/1363686374.db2.gz VEBVGMAEVILQJT-IRXDYDNUSA-N 1 2 344.503 3.186 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ncccn1 ZINC001099194923 1363686378 /nfs/dbraw/zinc/68/63/78/1363686378.db2.gz VEBVGMAEVILQJT-IRXDYDNUSA-N 1 2 344.503 3.186 20 30 EGEDLO C=CC[C@H](C(=O)NCC[C@@H](C)Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC001099214656 1363695702 /nfs/dbraw/zinc/69/57/02/1363695702.db2.gz URHXSGJAGHUWTO-QAPCUYQASA-N 1 2 338.455 3.452 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nonc1C ZINC001099252514 1363714567 /nfs/dbraw/zinc/71/45/67/1363714567.db2.gz WWLAZBMASUFACP-HNNXBMFYSA-N 1 2 348.491 3.087 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nonc1C ZINC001099252514 1363714569 /nfs/dbraw/zinc/71/45/69/1363714569.db2.gz WWLAZBMASUFACP-HNNXBMFYSA-N 1 2 348.491 3.087 20 30 EGEDLO C#CCCCC(=O)NCCN(C)c1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001100040265 1364003412 /nfs/dbraw/zinc/00/34/12/1364003412.db2.gz IWLFAANWVCPCSN-UHFFFAOYSA-N 1 2 330.476 3.079 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCN(CCC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001101223354 1364471722 /nfs/dbraw/zinc/47/17/22/1364471722.db2.gz CGXZPUXJENPSNE-GOEBONIOSA-N 1 2 344.503 3.453 20 30 EGEDLO C=CCCCC(=O)NCCN(CCC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001101233525 1364478465 /nfs/dbraw/zinc/47/84/65/1364478465.db2.gz ANJPFGLAYIZITO-UHFFFAOYSA-N 1 2 330.476 3.351 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCN(c1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001101426939 1364558439 /nfs/dbraw/zinc/55/84/39/1364558439.db2.gz FSYDFEUWUGQIKM-GOEBONIOSA-N 1 2 344.503 3.452 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCN(c1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001101434847 1364562304 /nfs/dbraw/zinc/56/23/04/1364562304.db2.gz KCHBXJGNWIRDKV-FQEVSTJZSA-N 1 2 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ZINC001102065312 1364831075 /nfs/dbraw/zinc/83/10/75/1364831075.db2.gz IGBDIEKSKVDXDK-CQSZACIVSA-N 1 2 330.476 3.426 20 30 EGEDLO C=C1CC(C)(C(=O)NCCCN(c2nc(C)[nH+]c(C)c2C)C(C)C)C1 ZINC001102142369 1364888373 /nfs/dbraw/zinc/88/83/73/1364888373.db2.gz LBILWMBXLBDBQI-UHFFFAOYSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(CC)[nH+]c(C)n1 ZINC001102204443 1364932445 /nfs/dbraw/zinc/93/24/45/1364932445.db2.gz JXYURBZFSSNITK-OLMNPRSZSA-N 1 2 342.487 3.129 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(CC)[nH+]c(C)n1 ZINC001102205707 1364933132 /nfs/dbraw/zinc/93/31/32/1364933132.db2.gz QZSXYZHCRPYEHD-RYQLBKOJSA-N 1 2 342.487 3.129 20 30 EGEDLO CC[C@H](CNC(=O)C#CC(C)(C)C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001103054981 1365358033 /nfs/dbraw/zinc/35/80/33/1365358033.db2.gz OUBASRPRPKPVRA-OAHLLOKOSA-N 1 2 342.487 3.020 20 30 EGEDLO Cc1cc(C[N@@H+]2CCCN(c3cccc(Cl)c3C#N)CC2)no1 ZINC001324709150 1387746348 /nfs/dbraw/zinc/74/63/48/1387746348.db2.gz XZHPLYKELWAYCC-UHFFFAOYSA-N 1 2 330.819 3.220 20 30 EGEDLO Cc1cc(C[N@H+]2CCCN(c3cccc(Cl)c3C#N)CC2)no1 ZINC001324709150 1387746351 /nfs/dbraw/zinc/74/63/51/1387746351.db2.gz XZHPLYKELWAYCC-UHFFFAOYSA-N 1 2 330.819 3.220 20 30 EGEDLO Cc1cc(NCC2(NC(=O)C#CC(C)C)CCCC2)nc(C(C)C)[nH+]1 ZINC001103426383 1365553293 /nfs/dbraw/zinc/55/32/93/1365553293.db2.gz TUXBBHLVESNOMI-UHFFFAOYSA-N 1 2 342.487 3.409 20 30 EGEDLO CC#CCCCC(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001103821535 1365798042 /nfs/dbraw/zinc/79/80/42/1365798042.db2.gz VTOASVOPTJDYJD-QGZVFWFLSA-N 1 2 340.471 3.259 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104151358 1365927573 /nfs/dbraw/zinc/92/75/73/1365927573.db2.gz KCKZLCJOMGHOOH-AWEZNQCLSA-N 1 2 344.503 3.430 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104164245 1365933142 /nfs/dbraw/zinc/93/31/42/1365933142.db2.gz RQQQBVGUKCOXOJ-GOEBONIOSA-N 1 2 344.503 3.430 20 30 EGEDLO Cc1nc(NC2(CNC(=O)CC#Cc3ccccc3)CCCC2)cc[nH+]1 ZINC001104397808 1366004499 /nfs/dbraw/zinc/00/44/99/1366004499.db2.gz CIMUNVSCCUGQKT-UHFFFAOYSA-N 1 2 348.450 3.068 20 30 EGEDLO C#CCCCCC(=O)N(C)[C@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001104521916 1366060519 /nfs/dbraw/zinc/06/05/19/1366060519.db2.gz QRJOSYWQYKAQJL-MRXNPFEDSA-N 1 2 330.476 3.361 20 30 EGEDLO C#CCC1(C(=O)N(C)[C@H](C)CNc2cc[nH+]c(C)n2)CCCCC1 ZINC001104596425 1366094940 /nfs/dbraw/zinc/09/49/40/1366094940.db2.gz FONSDXVNNDJREW-OAHLLOKOSA-N 1 2 328.460 3.018 20 30 EGEDLO C=CCOCC(=O)N[C@@H](CNc1cc(C)[nH+]c(C(C)C)n1)CC(C)C ZINC001104916320 1366222206 /nfs/dbraw/zinc/22/22/06/1366222206.db2.gz GYXKVPWXVBZCCO-MRXNPFEDSA-N 1 2 348.491 3.054 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001105037994 1366287614 /nfs/dbraw/zinc/28/76/14/1366287614.db2.gz GFKUGNDCWWKGAU-RHSMWYFYSA-N 1 2 342.487 3.279 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](Nc1cc(C)[nH+]c(C2CC2)n1)C(C)C ZINC001105257443 1366393267 /nfs/dbraw/zinc/39/32/67/1366393267.db2.gz ODATYVBKLGCYID-QGZVFWFLSA-N 1 2 342.487 3.409 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCC[C@@H]1CNc1nc(C)[nH+]c2c1CCCC2 ZINC001105646928 1366558137 /nfs/dbraw/zinc/55/81/37/1366558137.db2.gz MFALNQMWYYMVOF-NVXWUHKLSA-N 1 2 342.487 3.327 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H](CCC)C(C)C)CC2)C1 ZINC001105726619 1366586472 /nfs/dbraw/zinc/58/64/72/1366586472.db2.gz PENCXSCVGXRQBB-LJQANCHMSA-N 1 2 336.520 3.327 20 30 EGEDLO C=C[C@H](CC(=O)N[C@H](C)CCNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001106349721 1366664304 /nfs/dbraw/zinc/66/43/04/1366664304.db2.gz VFUUZOMWOSIORN-NVXWUHKLSA-N 1 2 338.455 3.452 20 30 EGEDLO C#Cc1ccc(C(=O)NC/C=C\CNc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC001107455830 1366970124 /nfs/dbraw/zinc/97/01/24/1366970124.db2.gz ZQNYERBGAIKMAX-PLNGDYQASA-N 1 2 346.434 3.042 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC/C=C/CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107464931 1366974482 /nfs/dbraw/zinc/97/44/82/1366974482.db2.gz ZYJVZNZKKSJARU-LQYUOIDQSA-N 1 2 328.460 3.349 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2c(Cl)cccc2OC)C1 ZINC001189319348 1366988351 /nfs/dbraw/zinc/98/83/51/1366988351.db2.gz XWKFYTWRCHGCPJ-AWEZNQCLSA-N 1 2 336.863 3.348 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]([N@H+](C)Cc2c(Cl)cccc2OC)C1 ZINC001189319348 1366988353 /nfs/dbraw/zinc/98/83/53/1366988353.db2.gz XWKFYTWRCHGCPJ-AWEZNQCLSA-N 1 2 336.863 3.348 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H](C)CN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001109203776 1367000190 /nfs/dbraw/zinc/00/01/90/1367000190.db2.gz VUDXTLUCNGJCKB-GOEBONIOSA-N 1 2 344.503 3.207 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nncs1)CC2 ZINC001107533859 1367024844 /nfs/dbraw/zinc/02/48/44/1367024844.db2.gz JRYVMSZNFYWLEE-ZTFGCOKTSA-N 1 2 348.516 3.001 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nncs1)CC2 ZINC001107533859 1367024846 /nfs/dbraw/zinc/02/48/46/1367024846.db2.gz JRYVMSZNFYWLEE-ZTFGCOKTSA-N 1 2 348.516 3.001 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC001189525643 1367044042 /nfs/dbraw/zinc/04/40/42/1367044042.db2.gz JMVYTSYPLIXLEC-UHFFFAOYSA-N 1 2 335.451 3.289 20 30 EGEDLO C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001109313937 1367049772 /nfs/dbraw/zinc/04/97/72/1367049772.db2.gz YAPIJARFSPLDEZ-ZOBORPQBSA-N 1 2 336.373 3.355 20 30 EGEDLO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001109313937 1367049779 /nfs/dbraw/zinc/04/97/79/1367049779.db2.gz YAPIJARFSPLDEZ-ZOBORPQBSA-N 1 2 336.373 3.355 20 30 EGEDLO C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C2 ZINC001109313937 1367049785 /nfs/dbraw/zinc/04/97/85/1367049785.db2.gz YAPIJARFSPLDEZ-ZOBORPQBSA-N 1 2 336.373 3.355 20 30 EGEDLO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C2 ZINC001109313937 1367049791 /nfs/dbraw/zinc/04/97/91/1367049791.db2.gz YAPIJARFSPLDEZ-ZOBORPQBSA-N 1 2 336.373 3.355 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2csc(CCC)n2)C1 ZINC001189743286 1367099029 /nfs/dbraw/zinc/09/90/29/1367099029.db2.gz AFFXXBXHDLYOLY-QGZVFWFLSA-N 1 2 347.528 3.322 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2csc(CCC)n2)C1 ZINC001189743286 1367099032 /nfs/dbraw/zinc/09/90/32/1367099032.db2.gz AFFXXBXHDLYOLY-QGZVFWFLSA-N 1 2 347.528 3.322 20 30 EGEDLO C#CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2csc(C(C)(C)C)n2)C1 ZINC001189925845 1367132819 /nfs/dbraw/zinc/13/28/19/1367132819.db2.gz GXAMKRSPCWRKJX-INIZCTEOSA-N 1 2 347.528 3.277 20 30 EGEDLO C#CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2csc(C(C)(C)C)n2)C1 ZINC001189925845 1367132822 /nfs/dbraw/zinc/13/28/22/1367132822.db2.gz GXAMKRSPCWRKJX-INIZCTEOSA-N 1 2 347.528 3.277 20 30 EGEDLO C=CCCC(=O)NC[C@@]1(C)C[N@H+]([C@@H](C)c2ccc(F)cc2)CCO1 ZINC001107805021 1367154013 /nfs/dbraw/zinc/15/40/13/1367154013.db2.gz RSLNCVOGCORFKE-KXBFYZLASA-N 1 2 334.435 3.060 20 30 EGEDLO C=CCCC(=O)NC[C@@]1(C)C[N@@H+]([C@@H](C)c2ccc(F)cc2)CCO1 ZINC001107805021 1367154018 /nfs/dbraw/zinc/15/40/18/1367154018.db2.gz RSLNCVOGCORFKE-KXBFYZLASA-N 1 2 334.435 3.060 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107953689 1367214761 /nfs/dbraw/zinc/21/47/61/1367214761.db2.gz OEMPMFGVOSQRSS-CYBMUJFWSA-N 1 2 330.476 3.183 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109601867 1367225049 /nfs/dbraw/zinc/22/50/49/1367225049.db2.gz SFJUXZQHYVBDQX-NJAFHUGGSA-N 1 2 341.430 3.131 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109601867 1367225052 /nfs/dbraw/zinc/22/50/52/1367225052.db2.gz SFJUXZQHYVBDQX-NJAFHUGGSA-N 1 2 341.430 3.131 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C2CC2)no1 ZINC001109633119 1367251830 /nfs/dbraw/zinc/25/18/30/1367251830.db2.gz PDQVNFDCXYOXMX-UAFONNFLSA-N 1 2 343.471 3.376 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C2CC2)no1 ZINC001109633119 1367251836 /nfs/dbraw/zinc/25/18/36/1367251836.db2.gz PDQVNFDCXYOXMX-UAFONNFLSA-N 1 2 343.471 3.376 20 30 EGEDLO CC(C)(C)c1cc(NS(=O)(=O)c2cc(C#N)ccc2F)cc[nH+]1 ZINC001190617501 1367310013 /nfs/dbraw/zinc/31/00/13/1367310013.db2.gz LCKTVFIOVSWUMR-UHFFFAOYSA-N 1 2 333.388 3.191 20 30 EGEDLO C=CCCCC(=O)NC[C@@]1(C)C[N@H+]([C@@H](C)c2ccc(F)cc2)CCO1 ZINC001108173947 1367323381 /nfs/dbraw/zinc/32/33/81/1367323381.db2.gz YWHXUZFUXMJMDS-JXFKEZNVSA-N 1 2 348.462 3.450 20 30 EGEDLO C=CCCCC(=O)NC[C@@]1(C)C[N@@H+]([C@@H](C)c2ccc(F)cc2)CCO1 ZINC001108173947 1367323388 /nfs/dbraw/zinc/32/33/88/1367323388.db2.gz YWHXUZFUXMJMDS-JXFKEZNVSA-N 1 2 348.462 3.450 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H](C)c2ccc(CC)cc2)C1 ZINC001108210802 1367344492 /nfs/dbraw/zinc/34/44/92/1367344492.db2.gz GQORMXZMWFWPGT-LAUBAEHRSA-N 1 2 344.499 3.136 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H](C)c2ccc(CC)cc2)C1 ZINC001108210802 1367344499 /nfs/dbraw/zinc/34/44/99/1367344499.db2.gz GQORMXZMWFWPGT-LAUBAEHRSA-N 1 2 344.499 3.136 20 30 EGEDLO CCCCCCCCNC(=O)N1CCN(c2cc[nH+]c(OC)c2)CC1 ZINC001191067782 1367415254 /nfs/dbraw/zinc/41/52/54/1367415254.db2.gz ARYFYRYGSGUHGU-UHFFFAOYSA-N 1 2 348.491 3.282 20 30 EGEDLO C=CCO[C@H](C)C(=O)N[C@@H](C)CNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001108416456 1367443596 /nfs/dbraw/zinc/44/35/96/1367443596.db2.gz VVJUPUFBHKNKBB-LSDHHAIUSA-N 1 2 348.491 3.231 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@H](CC)C1 ZINC001110033666 1367471889 /nfs/dbraw/zinc/47/18/89/1367471889.db2.gz NXXBFMNVEJLFCC-QZTJIDSGSA-N 1 2 342.487 3.408 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CC(C)(C)CO1)C2 ZINC001110039420 1367477394 /nfs/dbraw/zinc/47/73/94/1367477394.db2.gz GBMAIIHZORIMKM-UGUYLWEFSA-N 1 2 340.895 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CC(C)(C)CO1)C2 ZINC001110039420 1367477396 /nfs/dbraw/zinc/47/73/96/1367477396.db2.gz GBMAIIHZORIMKM-UGUYLWEFSA-N 1 2 340.895 3.056 20 30 EGEDLO CC(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001108919343 1367663194 /nfs/dbraw/zinc/66/31/94/1367663194.db2.gz UWCFIGNOJMNHLO-NEWSRXKRSA-N 1 2 343.446 3.355 20 30 EGEDLO CC(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001108919343 1367663201 /nfs/dbraw/zinc/66/32/01/1367663201.db2.gz UWCFIGNOJMNHLO-NEWSRXKRSA-N 1 2 343.446 3.355 20 30 EGEDLO C=CCCCC(=O)N1CCC([C@@H]2CCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001110413450 1367703147 /nfs/dbraw/zinc/70/31/47/1367703147.db2.gz NQGLLXKELYTSEK-GOSISDBHSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@]2(C1)CCCN(c1cc[nH+]c(C)n1)C2 ZINC001110458816 1367746981 /nfs/dbraw/zinc/74/69/81/1367746981.db2.gz OZPWOLHWKOTOKU-FQEVSTJZSA-N 1 2 342.487 3.206 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnc(Cl)c1 ZINC001110459500 1367747314 /nfs/dbraw/zinc/74/73/14/1367747314.db2.gz NETXVPSFFPABTR-ZACQAIPSSA-N 1 2 345.874 3.150 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnc(Cl)c1 ZINC001110459500 1367747327 /nfs/dbraw/zinc/74/73/27/1367747327.db2.gz NETXVPSFFPABTR-ZACQAIPSSA-N 1 2 345.874 3.150 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]2CCN(c3nc(C)[nH+]c(C)c3C)[C@H]2C1 ZINC001110496507 1367784543 /nfs/dbraw/zinc/78/45/43/1367784543.db2.gz GYSIWPPDKHTOPE-MSOLQXFVSA-N 1 2 342.487 3.185 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C[C@@H]1C ZINC001110501713 1367790047 /nfs/dbraw/zinc/79/00/47/1367790047.db2.gz JNJNIGRFYYDRKV-GOEBONIOSA-N 1 2 342.487 3.421 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2nc(C)c(C)s2)C1 ZINC001192570546 1367820622 /nfs/dbraw/zinc/82/06/22/1367820622.db2.gz XYLOKWFNMUXUJB-OAHLLOKOSA-N 1 2 335.517 3.395 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(C)c(C)s2)C1 ZINC001192570546 1367820625 /nfs/dbraw/zinc/82/06/25/1367820625.db2.gz XYLOKWFNMUXUJB-OAHLLOKOSA-N 1 2 335.517 3.395 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001192586191 1367825702 /nfs/dbraw/zinc/82/57/02/1367825702.db2.gz JHHVCWVAPJKLDO-GOSISDBHSA-N 1 2 343.446 3.332 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001192586191 1367825707 /nfs/dbraw/zinc/82/57/07/1367825707.db2.gz JHHVCWVAPJKLDO-GOSISDBHSA-N 1 2 343.446 3.332 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@H]1CNc1nc(C)[nH+]c2c1CCCC2 ZINC001110563351 1367835820 /nfs/dbraw/zinc/83/58/20/1367835820.db2.gz ZPYDADDPJFULDF-INIZCTEOSA-N 1 2 342.487 3.423 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001110603415 1367865227 /nfs/dbraw/zinc/86/52/27/1367865227.db2.gz BWHFSKLRZUXEML-KFWWJZLASA-N 1 2 333.501 3.275 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001110603415 1367865232 /nfs/dbraw/zinc/86/52/32/1367865232.db2.gz BWHFSKLRZUXEML-KFWWJZLASA-N 1 2 333.501 3.275 20 30 EGEDLO C#CCN(C(=O)CCC(C)(C)C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110625441 1367873833 /nfs/dbraw/zinc/87/38/33/1367873833.db2.gz XRTITDMLNMGYCE-UHFFFAOYSA-N 1 2 342.487 3.042 20 30 EGEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1csc(C#N)c1 ZINC001325166158 1387908983 /nfs/dbraw/zinc/90/89/83/1387908983.db2.gz NSONEYGROJJRND-UHFFFAOYSA-N 1 2 341.436 3.013 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@]1(C)CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001110809591 1368004696 /nfs/dbraw/zinc/00/46/96/1368004696.db2.gz RGIZZUXTPHPLIU-XOBRGWDASA-N 1 2 342.487 3.350 20 30 EGEDLO CC[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001110903518 1368077445 /nfs/dbraw/zinc/07/74/45/1368077445.db2.gz MOAPPNWOQSUDAZ-TVFCKZIOSA-N 1 2 348.849 3.161 20 30 EGEDLO CC[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001110903518 1368077452 /nfs/dbraw/zinc/07/74/52/1368077452.db2.gz MOAPPNWOQSUDAZ-TVFCKZIOSA-N 1 2 348.849 3.161 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC001110954380 1368121367 /nfs/dbraw/zinc/12/13/67/1368121367.db2.gz VATHCIMYVXIHQZ-HNAYVOBHSA-N 1 2 330.476 3.110 20 30 EGEDLO CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)CC1 ZINC001110993378 1368137336 /nfs/dbraw/zinc/13/73/36/1368137336.db2.gz YYGHNXIALOAMQH-QRVBRYPASA-N 1 2 340.442 3.089 20 30 EGEDLO CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)CC1 ZINC001110993378 1368137340 /nfs/dbraw/zinc/13/73/40/1368137340.db2.gz YYGHNXIALOAMQH-QRVBRYPASA-N 1 2 340.442 3.089 20 30 EGEDLO CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CC1 ZINC001110999141 1368140122 /nfs/dbraw/zinc/14/01/22/1368140122.db2.gz SUCYGNNRFXGCHP-QRVBRYPASA-N 1 2 337.467 3.360 20 30 EGEDLO CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CC1 ZINC001110999141 1368140124 /nfs/dbraw/zinc/14/01/24/1368140124.db2.gz SUCYGNNRFXGCHP-QRVBRYPASA-N 1 2 337.467 3.360 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1nc(C)[nH+]c(C)c1C)C2 ZINC001111163450 1368173401 /nfs/dbraw/zinc/17/34/01/1368173401.db2.gz MNZLLTANHWTMLD-BBWFWOEESA-N 1 2 342.487 3.088 20 30 EGEDLO C#CCCCC(=O)N1CC[C@H]([C@@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001111215627 1368194718 /nfs/dbraw/zinc/19/47/18/1368194718.db2.gz GXRYDMOHUAJXBK-WBVHZDCISA-N 1 2 340.471 3.115 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Oc1cccc(C)c1)C2 ZINC001111366588 1368274380 /nfs/dbraw/zinc/27/43/80/1368274380.db2.gz QUPOJIKVCUBWKS-IDCNUPLLSA-N 1 2 348.874 3.236 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Oc1cccc(C)c1)C2 ZINC001111366588 1368274387 /nfs/dbraw/zinc/27/43/87/1368274387.db2.gz QUPOJIKVCUBWKS-IDCNUPLLSA-N 1 2 348.874 3.236 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3snnc3C)C2)CCCC1 ZINC001194555241 1368284924 /nfs/dbraw/zinc/28/49/24/1368284924.db2.gz KNIPNLZVDBHZJN-OAHLLOKOSA-N 1 2 348.516 3.016 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3snnc3C)C2)CCCC1 ZINC001194555241 1368284930 /nfs/dbraw/zinc/28/49/30/1368284930.db2.gz KNIPNLZVDBHZJN-OAHLLOKOSA-N 1 2 348.516 3.016 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3coc(C)n3)C2)CCCC1 ZINC001194554567 1368285279 /nfs/dbraw/zinc/28/52/79/1368285279.db2.gz CPNJKFGNFOOELK-QGZVFWFLSA-N 1 2 331.460 3.152 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3coc(C)n3)C2)CCCC1 ZINC001194554567 1368285281 /nfs/dbraw/zinc/28/52/81/1368285281.db2.gz CPNJKFGNFOOELK-QGZVFWFLSA-N 1 2 331.460 3.152 20 30 EGEDLO C=CCCC(=O)N1CC[C@H](CCNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001111596819 1368362059 /nfs/dbraw/zinc/36/20/59/1368362059.db2.gz LYBBAKPNFWKTSL-HNNXBMFYSA-N 1 2 328.460 3.279 20 30 EGEDLO CC/C(C)=C/C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001195762229 1368484040 /nfs/dbraw/zinc/48/40/40/1368484040.db2.gz ZCHSWYBJBZYTJR-RVDMUPIBSA-N 1 2 329.419 3.088 20 30 EGEDLO CC/C(C)=C/C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001195762229 1368484042 /nfs/dbraw/zinc/48/40/42/1368484042.db2.gz ZCHSWYBJBZYTJR-RVDMUPIBSA-N 1 2 329.419 3.088 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001111987123 1368592534 /nfs/dbraw/zinc/59/25/34/1368592534.db2.gz AECRZPHVORMXDA-QGZVFWFLSA-N 1 2 342.487 3.187 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001196853112 1368698979 /nfs/dbraw/zinc/69/89/79/1368698979.db2.gz HDRJRIQPBJRUOE-GJZGRUSLSA-N 1 2 331.485 3.112 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001196853112 1368698985 /nfs/dbraw/zinc/69/89/85/1368698985.db2.gz HDRJRIQPBJRUOE-GJZGRUSLSA-N 1 2 331.485 3.112 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)CCCN(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001112172164 1368699999 /nfs/dbraw/zinc/69/99/99/1368699999.db2.gz QJKQRYNVLVFLCV-UHFFFAOYSA-N 1 2 342.487 3.303 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001196880466 1368705752 /nfs/dbraw/zinc/70/57/52/1368705752.db2.gz KFLBHYSONDUZIJ-INIZCTEOSA-N 1 2 343.446 3.334 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001196880466 1368705758 /nfs/dbraw/zinc/70/57/58/1368705758.db2.gz KFLBHYSONDUZIJ-INIZCTEOSA-N 1 2 343.446 3.334 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@@H+]([C@H](C)c3cnc(C)cn3)CC2)CCC1 ZINC001197077444 1368741211 /nfs/dbraw/zinc/74/12/11/1368741211.db2.gz SVOXJLSIGQUCPM-QGZVFWFLSA-N 1 2 342.487 3.127 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@H+]([C@H](C)c3cnc(C)cn3)CC2)CCC1 ZINC001197077444 1368741218 /nfs/dbraw/zinc/74/12/18/1368741218.db2.gz SVOXJLSIGQUCPM-QGZVFWFLSA-N 1 2 342.487 3.127 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H](C)C1 ZINC001112486835 1368884105 /nfs/dbraw/zinc/88/41/05/1368884105.db2.gz DXVKGQSYRQVYDG-GUYCJALGSA-N 1 2 330.476 3.232 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H](C)C1 ZINC001112494744 1368890889 /nfs/dbraw/zinc/89/08/89/1368890889.db2.gz JHDQRCNDKHYSOY-KSSFIOAISA-N 1 2 342.487 3.069 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@H](C)C1 ZINC001112499054 1368895822 /nfs/dbraw/zinc/89/58/22/1368895822.db2.gz FACJNTOWODNILE-MLGOLLRUSA-N 1 2 330.476 3.088 20 30 EGEDLO C#CCCCCC(=O)N1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC001112774138 1368994437 /nfs/dbraw/zinc/99/44/37/1368994437.db2.gz IHKIQZIFXQJFDW-UHFFFAOYSA-N 1 2 334.410 3.462 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[C@@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001112807170 1369018793 /nfs/dbraw/zinc/01/87/93/1369018793.db2.gz BHXBHUUQEMKQJP-QZTJIDSGSA-N 1 2 344.503 3.431 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001112807171 1369018918 /nfs/dbraw/zinc/01/89/18/1369018918.db2.gz BHXBHUUQEMKQJP-ROUUACIJSA-N 1 2 344.503 3.431 20 30 EGEDLO CC(C)C#CC(=O)N1CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC001112833049 1369034674 /nfs/dbraw/zinc/03/46/74/1369034674.db2.gz FBHHWNWDDHBKIF-UHFFFAOYSA-N 1 2 326.465 3.205 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[NH+](CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC001112888125 1369071242 /nfs/dbraw/zinc/07/12/42/1369071242.db2.gz NXOGUSPPRDXGNY-QZTJIDSGSA-N 1 2 336.520 3.328 20 30 EGEDLO C#CCCCCC(=O)N[C@H](C)[C@@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001112973533 1369118503 /nfs/dbraw/zinc/11/85/03/1369118503.db2.gz LPSHSCOSIYGDKC-HZPDHXFCSA-N 1 2 330.476 3.407 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CC12CCC2)c1ccccc1OC ZINC001198916408 1369148468 /nfs/dbraw/zinc/14/84/68/1369148468.db2.gz NDANWLXVWBJRQG-HOTGVXAUSA-N 1 2 348.874 3.385 20 30 EGEDLO CC#CCCCC(=O)N[C@@H](C)[C@@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001113261665 1369298412 /nfs/dbraw/zinc/29/84/12/1369298412.db2.gz HRGATINQLGQQIS-CVEARBPZSA-N 1 2 330.476 3.407 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](CCO[C@H]3CCCC[C@@H]3C)CC2)CCC1 ZINC001113310977 1369337861 /nfs/dbraw/zinc/33/78/61/1369337861.db2.gz WJBSCNGMZRKFBN-OALUTQOASA-N 1 2 348.531 3.472 20 30 EGEDLO C=CC1(CC(=O)N2CC[NH+](CCc3ccns3)CC2)CCCCC1 ZINC001113428975 1369421575 /nfs/dbraw/zinc/42/15/75/1369421575.db2.gz CHANIHQUIGHSQT-UHFFFAOYSA-N 1 2 347.528 3.356 20 30 EGEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C3CCC3)cc2)CC1 ZINC001113713756 1369581672 /nfs/dbraw/zinc/58/16/72/1369581672.db2.gz XVLZHPPONFQPCG-KRWDZBQOSA-N 1 2 342.483 3.189 20 30 EGEDLO CCCCCCC[N@@H+]1CCc2c(ncn2C(C)C)[C@@H]1CNC(C)=O ZINC001201762735 1369618776 /nfs/dbraw/zinc/61/87/76/1369618776.db2.gz SCAMYNGZCRZADA-SFHVURJKSA-N 1 2 334.508 3.470 20 30 EGEDLO CCCCCCC[N@H+]1CCc2c(ncn2C(C)C)[C@@H]1CNC(C)=O ZINC001201762735 1369618777 /nfs/dbraw/zinc/61/87/77/1369618777.db2.gz SCAMYNGZCRZADA-SFHVURJKSA-N 1 2 334.508 3.470 20 30 EGEDLO CCCCCCC[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C(=O)OC ZINC001201797627 1369626070 /nfs/dbraw/zinc/62/60/70/1369626070.db2.gz AGDZOOZIQCGNCL-GJZGRUSLSA-N 1 2 342.480 3.097 20 30 EGEDLO CCCCCCC[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C(=O)OC ZINC001201797627 1369626077 /nfs/dbraw/zinc/62/60/77/1369626077.db2.gz AGDZOOZIQCGNCL-GJZGRUSLSA-N 1 2 342.480 3.097 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001113895584 1369649468 /nfs/dbraw/zinc/64/94/68/1369649468.db2.gz HAQDNOWSASTAID-CQSZACIVSA-N 1 2 330.476 3.206 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)CC[C@@H]1C ZINC001114052204 1369705226 /nfs/dbraw/zinc/70/52/26/1369705226.db2.gz IOKHRNUYANVRKI-YOEHRIQHSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[C@H]([NH2+]CC(F)(F)C(F)F)C12CCC2 ZINC001203338651 1370089042 /nfs/dbraw/zinc/08/90/42/1370089042.db2.gz COONAWHJNNSGGI-NWDGAFQWSA-N 1 2 336.373 3.260 20 30 EGEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1Cc1ccc(C)cc1C ZINC001203731905 1370238878 /nfs/dbraw/zinc/23/88/78/1370238878.db2.gz NEOJRKAHOZBXHI-LJQANCHMSA-N 1 2 340.471 3.217 20 30 EGEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1Cc1ccc(C)cc1C ZINC001203731905 1370238881 /nfs/dbraw/zinc/23/88/81/1370238881.db2.gz NEOJRKAHOZBXHI-LJQANCHMSA-N 1 2 340.471 3.217 20 30 EGEDLO COc1cc(C[NH+]2CCC(C)(C#N)CC2)cc(Br)c1O ZINC001204102846 1370378568 /nfs/dbraw/zinc/37/85/68/1370378568.db2.gz BHYYTJRSPZCJKH-UHFFFAOYSA-N 1 2 339.233 3.289 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)N3C(=O)OC(C)(C)C)cc1 ZINC001204297635 1370435091 /nfs/dbraw/zinc/43/50/91/1370435091.db2.gz LVERDJLKFYMDGN-CALCHBBNSA-N 1 2 344.455 3.445 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3C(=O)OC(C)(C)C)cc1 ZINC001204297635 1370435094 /nfs/dbraw/zinc/43/50/94/1370435094.db2.gz LVERDJLKFYMDGN-CALCHBBNSA-N 1 2 344.455 3.445 20 30 EGEDLO CC(C)c1cc(N[C@@H](C)CN(C)C(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001115713943 1370693102 /nfs/dbraw/zinc/69/31/02/1370693102.db2.gz WTHZDOULDNWMNX-HNNXBMFYSA-N 1 2 342.487 3.396 20 30 EGEDLO N#Cc1cc(F)cc(-c2noc([C@H]([NH3+])c3cccc(Cl)c3)n2)c1 ZINC001205811723 1370879589 /nfs/dbraw/zinc/87/95/89/1370879589.db2.gz GGIPQSJBLVWZDD-CQSZACIVSA-N 1 2 328.734 3.449 20 30 EGEDLO Cc1cc(-c2ccc(C[NH+]3CCOCC3)cc2F)nc(C)c1C#N ZINC001206685352 1371133056 /nfs/dbraw/zinc/13/30/56/1371133056.db2.gz NCQRITXYDNZVFC-UHFFFAOYSA-N 1 2 325.387 3.208 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(C)cc1OC ZINC001206762640 1371156662 /nfs/dbraw/zinc/15/66/62/1371156662.db2.gz NSQJQBPXGDINNW-SFHVURJKSA-N 1 2 341.455 3.039 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(C)cc1OC ZINC001206762640 1371156664 /nfs/dbraw/zinc/15/66/64/1371156664.db2.gz NSQJQBPXGDINNW-SFHVURJKSA-N 1 2 341.455 3.039 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC001208261891 1371689493 /nfs/dbraw/zinc/68/94/93/1371689493.db2.gz UITJPBZXFGYQSY-LSDHHAIUSA-N 1 2 348.491 3.365 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)on2)C[C@H]1C ZINC001208309273 1371709979 /nfs/dbraw/zinc/70/99/79/1371709979.db2.gz GXUYATIWIIHIEC-UKRRQHHQSA-N 1 2 333.476 3.121 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)on2)C[C@H]1C ZINC001208309273 1371709982 /nfs/dbraw/zinc/70/99/82/1371709982.db2.gz GXUYATIWIIHIEC-UKRRQHHQSA-N 1 2 333.476 3.121 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(C)=C(C)C)C1 ZINC001208332944 1371721200 /nfs/dbraw/zinc/72/12/00/1371721200.db2.gz SPFYHPSKXDJJFX-TZMCWYRMSA-N 1 2 329.282 3.078 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC(C)=C(C)C)C1 ZINC001208332944 1371721206 /nfs/dbraw/zinc/72/12/06/1371721206.db2.gz SPFYHPSKXDJJFX-TZMCWYRMSA-N 1 2 329.282 3.078 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccncc2)C(C)C)C1 ZINC001208415284 1371759255 /nfs/dbraw/zinc/75/92/55/1371759255.db2.gz FLKMHVNLAQOKRS-KBRIMQKVSA-N 1 2 335.879 3.010 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccncc2)C(C)C)C1 ZINC001208415284 1371759261 /nfs/dbraw/zinc/75/92/61/1371759261.db2.gz FLKMHVNLAQOKRS-KBRIMQKVSA-N 1 2 335.879 3.010 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc(C(C)C)no2)C[C@H]1C ZINC001208458714 1371774800 /nfs/dbraw/zinc/77/48/00/1371774800.db2.gz URVBXXNIWHVUOM-RBSFLKMASA-N 1 2 334.464 3.047 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc(C(C)C)no2)C[C@H]1C ZINC001208458714 1371774804 /nfs/dbraw/zinc/77/48/04/1371774804.db2.gz URVBXXNIWHVUOM-RBSFLKMASA-N 1 2 334.464 3.047 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc(C(C)C)no2)C[C@H]1C ZINC001208458713 1371774818 /nfs/dbraw/zinc/77/48/18/1371774818.db2.gz URVBXXNIWHVUOM-QLFBSQMISA-N 1 2 334.464 3.047 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc(C(C)C)no2)C[C@H]1C ZINC001208458713 1371774825 /nfs/dbraw/zinc/77/48/25/1371774825.db2.gz URVBXXNIWHVUOM-QLFBSQMISA-N 1 2 334.464 3.047 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](CC(=C)Br)C[C@H]2C)CCC1 ZINC001208498565 1371788866 /nfs/dbraw/zinc/78/88/66/1371788866.db2.gz XDGOWUAIZKZDMN-TZMCWYRMSA-N 1 2 341.293 3.078 20 30 EGEDLO N#Cc1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)c(F)c1Br ZINC001120895636 1371798267 /nfs/dbraw/zinc/79/82/67/1371798267.db2.gz GLCFUQZNBQIXCF-LBPRGKRZSA-N 1 2 349.207 3.498 20 30 EGEDLO N#Cc1cccc(CCCN2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)c1 ZINC001208859938 1371922037 /nfs/dbraw/zinc/92/20/37/1371922037.db2.gz DTQIQQKUIOXMDO-GOSISDBHSA-N 1 2 333.426 3.296 20 30 EGEDLO C=CCCCCCC[NH+]1CC2(C1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001209430763 1372104895 /nfs/dbraw/zinc/10/48/95/1372104895.db2.gz BXSCVLMOXXCLMG-UHFFFAOYSA-N 1 2 338.492 3.445 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2nc(C3CCC3)no2)C1 ZINC001209875783 1372220676 /nfs/dbraw/zinc/22/06/76/1372220676.db2.gz SZHARZBSSCTGSV-HNNXBMFYSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC(F)(F)CC1 ZINC001122536938 1372269377 /nfs/dbraw/zinc/26/93/77/1372269377.db2.gz OFHABISAELCFGY-UHFFFAOYSA-N 1 2 339.434 3.076 20 30 EGEDLO N#C[C@@H]1C[NH2+]CCN1Cc1ccc2ccc(-c3ccccc3)nc2c1 ZINC001210122953 1372275523 /nfs/dbraw/zinc/27/55/23/1372275523.db2.gz WJQAROSJOZIFRH-LJQANCHMSA-N 1 2 328.419 3.199 20 30 EGEDLO CC(C)[N@@H+]1CCC[C@H]1C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 ZINC001122567811 1372276452 /nfs/dbraw/zinc/27/64/52/1372276452.db2.gz GSDWGWWXEJDPPS-HOCLYGCPSA-N 1 2 340.452 3.254 20 30 EGEDLO CC(C)[N@H+]1CCC[C@H]1C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 ZINC001122567811 1372276458 /nfs/dbraw/zinc/27/64/58/1372276458.db2.gz GSDWGWWXEJDPPS-HOCLYGCPSA-N 1 2 340.452 3.254 20 30 EGEDLO C1#Cc2ccccc2[C@@H](OCC[NH+]2CCOCC2)Cc2ccccc21 ZINC001210208627 1372295387 /nfs/dbraw/zinc/29/53/87/1372295387.db2.gz VAZMVKXZAHSUNI-QFIPXVFZSA-N 1 2 333.431 3.032 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@H]1C ZINC001123102190 1372380559 /nfs/dbraw/zinc/38/05/59/1372380559.db2.gz ZMHVDNZLDUSXFH-GDBMZVCRSA-N 1 2 328.460 3.420 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C[C@@H]1C ZINC001123289238 1372415425 /nfs/dbraw/zinc/41/54/25/1372415425.db2.gz KSKRFGUMMBJJOE-GOEBONIOSA-N 1 2 328.460 3.420 20 30 EGEDLO CCCCCCCCC(=O)N1CCC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001210804040 1372430156 /nfs/dbraw/zinc/43/01/56/1372430156.db2.gz DVRQCBPUNLNCEJ-OAHLLOKOSA-N 1 2 338.521 3.369 20 30 EGEDLO C=CCCCC(=O)N(CCN(C)c1nc(C)[nH+]c(C)c1C)C(C)C ZINC001125665650 1372833115 /nfs/dbraw/zinc/83/31/15/1372833115.db2.gz VPMSUXWBAIHAFM-UHFFFAOYSA-N 1 2 332.492 3.431 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001188056744 1388230338 /nfs/dbraw/zinc/23/03/38/1388230338.db2.gz ABGLCJKGNPOCMX-JKSUJKDBSA-N 1 2 343.471 3.187 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001188056744 1388230342 /nfs/dbraw/zinc/23/03/42/1388230342.db2.gz ABGLCJKGNPOCMX-JKSUJKDBSA-N 1 2 343.471 3.187 20 30 EGEDLO C=CCC1(C(=O)N[C@H](C)C2CCN(c3cc[nH+]c(C)n3)CC2)CCC1 ZINC001126684525 1372998010 /nfs/dbraw/zinc/99/80/10/1372998010.db2.gz SBICZZWDQWWYJG-OAHLLOKOSA-N 1 2 342.487 3.253 20 30 EGEDLO Cn1c(C#N)ccc1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC001127214725 1373104533 /nfs/dbraw/zinc/10/45/33/1373104533.db2.gz IFOOHOKZIADXKX-UHFFFAOYSA-N 1 2 343.390 3.064 20 30 EGEDLO C=CC(C)(C)CC(=O)NCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001127695900 1373162477 /nfs/dbraw/zinc/16/24/77/1373162477.db2.gz DIWZUUUCMDOAGH-UHFFFAOYSA-N 1 2 342.487 3.257 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C[C@@H](C)CC(C)(C)C)c2C1 ZINC001128504478 1373279137 /nfs/dbraw/zinc/27/91/37/1373279137.db2.gz SJQPGHSAZRDLNQ-MRXNPFEDSA-N 1 2 346.519 3.353 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C[C@@H](C)CC(C)(C)C)c2C1 ZINC001128504478 1373279140 /nfs/dbraw/zinc/27/91/40/1373279140.db2.gz SJQPGHSAZRDLNQ-MRXNPFEDSA-N 1 2 346.519 3.353 20 30 EGEDLO CCCCCCCCOCC(=O)NCC[NH2+][C@H](C)c1ncc(C)o1 ZINC001129522397 1373393198 /nfs/dbraw/zinc/39/31/98/1373393198.db2.gz AHITUIHDTXLWGF-MRXNPFEDSA-N 1 2 339.480 3.127 20 30 EGEDLO C=CCCC[N@@H+]1Cc2cnn(C3CCN(C(=O)[C@H](C)CC)CC3)c2C1 ZINC001130160848 1373465967 /nfs/dbraw/zinc/46/59/67/1373465967.db2.gz FPNDKPWWITUSEA-MRXNPFEDSA-N 1 2 344.503 3.375 20 30 EGEDLO C=CCCC[N@H+]1Cc2cnn(C3CCN(C(=O)[C@H](C)CC)CC3)c2C1 ZINC001130160848 1373465968 /nfs/dbraw/zinc/46/59/68/1373465968.db2.gz FPNDKPWWITUSEA-MRXNPFEDSA-N 1 2 344.503 3.375 20 30 EGEDLO C=CCCC[N@@H+]1Cc2cnn(C3CCN(C(=O)CCCF)CC3)c2C1 ZINC001130167115 1373467710 /nfs/dbraw/zinc/46/77/10/1373467710.db2.gz WVVWHSJWJSGYFY-UHFFFAOYSA-N 1 2 348.466 3.078 20 30 EGEDLO C=CCCC[N@H+]1Cc2cnn(C3CCN(C(=O)CCCF)CC3)c2C1 ZINC001130167115 1373467714 /nfs/dbraw/zinc/46/77/14/1373467714.db2.gz WVVWHSJWJSGYFY-UHFFFAOYSA-N 1 2 348.466 3.078 20 30 EGEDLO C[Si](C)(C)C#Cc1cccc(NC(=O)[C@@H]2C[NH2+]CC(F)(F)C2)c1 ZINC001219309426 1373699606 /nfs/dbraw/zinc/69/96/06/1373699606.db2.gz ZMRNMTVVFVIIAD-AWEZNQCLSA-N 1 2 336.458 3.099 20 30 EGEDLO N#Cc1ccsc1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001219354704 1373703476 /nfs/dbraw/zinc/70/34/76/1373703476.db2.gz QTBAVJGEJSCTPH-UHFFFAOYSA-N 1 2 341.371 3.266 20 30 EGEDLO CC(C)=CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131772911 1373795772 /nfs/dbraw/zinc/79/57/72/1373795772.db2.gz VIWXCMRRXSYFDC-KDOFPFPSSA-N 1 2 329.419 3.133 20 30 EGEDLO CC(C)=CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131772911 1373795777 /nfs/dbraw/zinc/79/57/77/1373795777.db2.gz VIWXCMRRXSYFDC-KDOFPFPSSA-N 1 2 329.419 3.133 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([NH2+]Cc3ncc(C4CC4)o3)C2)CCCC1 ZINC001188490231 1388317191 /nfs/dbraw/zinc/31/71/91/1388317191.db2.gz LODOJNYYAWBBKR-MRXNPFEDSA-N 1 2 343.471 3.379 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ncc(C)s2)C1 ZINC001131971418 1375076437 /nfs/dbraw/zinc/07/64/37/1375076437.db2.gz HUCOBHHHGQOTJD-GDBMZVCRSA-N 1 2 333.501 3.114 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ncc(C)s2)C1 ZINC001131971418 1375076445 /nfs/dbraw/zinc/07/64/45/1375076445.db2.gz HUCOBHHHGQOTJD-GDBMZVCRSA-N 1 2 333.501 3.114 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)COC2CCCCC2)CC[C@@H]1C ZINC001132150583 1375171468 /nfs/dbraw/zinc/17/14/68/1375171468.db2.gz STJBRUUACWUBJP-LSDHHAIUSA-N 1 2 328.884 3.057 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)COC2CCCCC2)CC[C@@H]1C ZINC001132150583 1375171472 /nfs/dbraw/zinc/17/14/72/1375171472.db2.gz STJBRUUACWUBJP-LSDHHAIUSA-N 1 2 328.884 3.057 20 30 EGEDLO Cc1cc(=O)[nH]c(O[C@H]2[C@@H]3CC[C@H]2C[N@@H+](Cc2ccccc2)C3)c1C#N ZINC001226223763 1375222420 /nfs/dbraw/zinc/22/24/20/1375222420.db2.gz TWFVWQJTCADAEW-YRWFTTLQSA-N 1 2 349.434 3.257 20 30 EGEDLO Cc1cc(=O)[nH]c(O[C@H]2[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)c1C#N ZINC001226223763 1375222424 /nfs/dbraw/zinc/22/24/24/1375222424.db2.gz TWFVWQJTCADAEW-YRWFTTLQSA-N 1 2 349.434 3.257 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)oc2C)C1 ZINC001132241104 1375236673 /nfs/dbraw/zinc/23/66/73/1375236673.db2.gz QREAYTUGARUSCI-CRAIPNDOSA-N 1 2 345.487 3.344 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2nc(C)oc2C)C1 ZINC001132241104 1375236679 /nfs/dbraw/zinc/23/66/79/1375236679.db2.gz QREAYTUGARUSCI-CRAIPNDOSA-N 1 2 345.487 3.344 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3nocc3C)C2)CC1 ZINC001132279463 1375263117 /nfs/dbraw/zinc/26/31/17/1375263117.db2.gz XFDSHGHRBSKQBP-CVEARBPZSA-N 1 2 331.460 3.199 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3nocc3C)C2)CC1 ZINC001132279463 1375263119 /nfs/dbraw/zinc/26/31/19/1375263119.db2.gz XFDSHGHRBSKQBP-CVEARBPZSA-N 1 2 331.460 3.199 20 30 EGEDLO Cc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)nc2ccc(Cl)cc12 ZINC001226521790 1375274725 /nfs/dbraw/zinc/27/47/25/1375274725.db2.gz UJKVCMUKTGEOFQ-CHZJHZBLSA-N 1 2 330.815 3.188 20 30 EGEDLO Cc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)nc2ccc(Cl)cc12 ZINC001226521790 1375274726 /nfs/dbraw/zinc/27/47/26/1375274726.db2.gz UJKVCMUKTGEOFQ-CHZJHZBLSA-N 1 2 330.815 3.188 20 30 EGEDLO N#Cc1cncc(O[C@@H]2CCC[N@@H+](Cc3cnc(Cl)s3)C2)c1 ZINC001226685622 1375308413 /nfs/dbraw/zinc/30/84/13/1375308413.db2.gz FBNQZFOZTCMRAE-GFCCVEGCSA-N 1 2 334.832 3.107 20 30 EGEDLO N#Cc1cncc(O[C@@H]2CCC[N@H+](Cc3cnc(Cl)s3)C2)c1 ZINC001226685622 1375308421 /nfs/dbraw/zinc/30/84/21/1375308421.db2.gz FBNQZFOZTCMRAE-GFCCVEGCSA-N 1 2 334.832 3.107 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2nc(C)oc2C)C1 ZINC001132332472 1375313588 /nfs/dbraw/zinc/31/35/88/1375313588.db2.gz UTBUIOOTXNTKSX-XJKSGUPXSA-N 1 2 333.476 3.363 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2nc(C)oc2C)C1 ZINC001132332472 1375313594 /nfs/dbraw/zinc/31/35/94/1375313594.db2.gz UTBUIOOTXNTKSX-XJKSGUPXSA-N 1 2 333.476 3.363 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCc2scnc2C)CC[C@H]1C ZINC001132392430 1375347946 /nfs/dbraw/zinc/34/79/46/1375347946.db2.gz KGZWCXLJUXTERK-OCCSQVGLSA-N 1 2 341.908 3.106 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCc2scnc2C)CC[C@H]1C ZINC001132392430 1375347952 /nfs/dbraw/zinc/34/79/52/1375347952.db2.gz KGZWCXLJUXTERK-OCCSQVGLSA-N 1 2 341.908 3.106 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)CC2(C)CCCC2)CC1 ZINC001227182621 1375404185 /nfs/dbraw/zinc/40/41/85/1375404185.db2.gz BAHFEAKJJZBAMA-UHFFFAOYSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCc2cccs2)CC[C@@H]1C ZINC001132478920 1375416149 /nfs/dbraw/zinc/41/61/49/1375416149.db2.gz RCRAEUYRCKNTAW-UONOGXRCSA-N 1 2 326.893 3.402 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCc2cccs2)CC[C@@H]1C ZINC001132478920 1375416151 /nfs/dbraw/zinc/41/61/51/1375416151.db2.gz RCRAEUYRCKNTAW-UONOGXRCSA-N 1 2 326.893 3.402 20 30 EGEDLO C=CCC(CC=C)C(=O)NC1CC[NH+](Cc2ccn(C(C)C)n2)CC1 ZINC001227512702 1375439654 /nfs/dbraw/zinc/43/96/54/1375439654.db2.gz DJYAWGYCUFXSOJ-UHFFFAOYSA-N 1 2 344.503 3.313 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(C(C)(C)C)n1 ZINC001228270199 1375538677 /nfs/dbraw/zinc/53/86/77/1375538677.db2.gz OGTUEDFCMZHBKY-HUUCEWRRSA-N 1 2 348.491 3.240 20 30 EGEDLO C=CCC1(C(=O)NC2CC[NH+]([C@H](C)c3nnc(CC)o3)CC2)CCC1 ZINC001229025126 1375742992 /nfs/dbraw/zinc/74/29/92/1375742992.db2.gz SPGDMOGPYIZJSK-CQSZACIVSA-N 1 2 346.475 3.020 20 30 EGEDLO C=CCCC1(C(=O)NC2CC[NH+](Cc3ncc(CC)o3)CC2)CC1 ZINC001229036852 1375748572 /nfs/dbraw/zinc/74/85/72/1375748572.db2.gz ANUNUJSYVBERSV-UHFFFAOYSA-N 1 2 331.460 3.064 20 30 EGEDLO N#Cc1cccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1Cl ZINC001229067659 1375756447 /nfs/dbraw/zinc/75/64/47/1375756447.db2.gz OOVWYECKSIIEQY-KRWDZBQOSA-N 1 2 342.826 3.491 20 30 EGEDLO N#Cc1cccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1Cl ZINC001229067659 1375756454 /nfs/dbraw/zinc/75/64/54/1375756454.db2.gz OOVWYECKSIIEQY-KRWDZBQOSA-N 1 2 342.826 3.491 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H](CC)CCC)CC1 ZINC001229796172 1375893693 /nfs/dbraw/zinc/89/36/93/1375893693.db2.gz NGCDQVUZCUXYHF-CYBMUJFWSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H](CC)CCC)CC1 ZINC001229796175 1375894381 /nfs/dbraw/zinc/89/43/81/1375894381.db2.gz NGCDQVUZCUXYHF-ZDUSSCGKSA-N 1 2 331.298 3.302 20 30 EGEDLO C=CCC1(C(=O)NC2CC[NH+]([C@H](C)c3nnc(C)o3)CC2)CCCC1 ZINC001230475312 1376034586 /nfs/dbraw/zinc/03/45/86/1376034586.db2.gz GBMBLSPNJLOODE-CQSZACIVSA-N 1 2 346.475 3.156 20 30 EGEDLO CC(C)(CC(F)(F)F)C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230612692 1376101940 /nfs/dbraw/zinc/10/19/40/1376101940.db2.gz DHWMLHWQKCEKJG-CQSZACIVSA-N 1 2 345.409 3.192 20 30 EGEDLO CC(C)(CC(F)(F)F)C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001230612692 1376101941 /nfs/dbraw/zinc/10/19/41/1376101941.db2.gz DHWMLHWQKCEKJG-CQSZACIVSA-N 1 2 345.409 3.192 20 30 EGEDLO C=C(Cl)C[N@H+](CCCNC(=O)/C=C\C1CC1)Cc1cccnc1 ZINC001230720797 1376131862 /nfs/dbraw/zinc/13/18/62/1376131862.db2.gz OZWGXDQZKIUXQU-FPLPWBNLSA-N 1 2 333.863 3.109 20 30 EGEDLO C=C(Cl)C[N@@H+](CCCNC(=O)/C=C\C1CC1)Cc1cccnc1 ZINC001230720797 1376131865 /nfs/dbraw/zinc/13/18/65/1376131865.db2.gz OZWGXDQZKIUXQU-FPLPWBNLSA-N 1 2 333.863 3.109 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F)C(=O)/C=C\C(C)(C)C ZINC001231285209 1376221011 /nfs/dbraw/zinc/22/10/11/1376221011.db2.gz ZMFYDAYLGAOHON-KMDWOBIYSA-N 1 2 343.446 3.332 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1cc(C#N)ccc1F)C(=O)/C=C\C(C)(C)C ZINC001231285209 1376221015 /nfs/dbraw/zinc/22/10/15/1376221015.db2.gz ZMFYDAYLGAOHON-KMDWOBIYSA-N 1 2 343.446 3.332 20 30 EGEDLO C(#Cc1ccccc1C[N@@H+]1CCc2ncncc2C1)c1ccccc1 ZINC001231578652 1376269208 /nfs/dbraw/zinc/26/92/08/1376269208.db2.gz PPQODCGKJMBNGK-UHFFFAOYSA-N 1 2 325.415 3.435 20 30 EGEDLO C(#Cc1ccccc1C[N@H+]1CCc2ncncc2C1)c1ccccc1 ZINC001231578652 1376269211 /nfs/dbraw/zinc/26/92/11/1376269211.db2.gz PPQODCGKJMBNGK-UHFFFAOYSA-N 1 2 325.415 3.435 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3csc(CC)n3)C[C@H]21 ZINC001189007523 1388434737 /nfs/dbraw/zinc/43/47/37/1388434737.db2.gz XEMOTPWGHZOOSM-GOEBONIOSA-N 1 2 333.501 3.095 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3csc(CC)n3)C[C@H]21 ZINC001189007523 1388434741 /nfs/dbraw/zinc/43/47/41/1388434741.db2.gz XEMOTPWGHZOOSM-GOEBONIOSA-N 1 2 333.501 3.095 20 30 EGEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CC2)OCCc2ccccc23)c1 ZINC001232678610 1376500848 /nfs/dbraw/zinc/50/08/48/1376500848.db2.gz JTPDBOSEKSYFNU-UHFFFAOYSA-N 1 2 334.419 3.328 20 30 EGEDLO N#Cc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)c1 ZINC001232681557 1376501479 /nfs/dbraw/zinc/50/14/79/1376501479.db2.gz QTLOJLDPXOCKSD-HOTGVXAUSA-N 1 2 339.826 3.380 20 30 EGEDLO N#Cc1ccc(O)c(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)c1 ZINC001232681557 1376501482 /nfs/dbraw/zinc/50/14/82/1376501482.db2.gz QTLOJLDPXOCKSD-HOTGVXAUSA-N 1 2 339.826 3.380 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)ccc1Br ZINC001232893664 1376535341 /nfs/dbraw/zinc/53/53/41/1376535341.db2.gz LMVIZKBTPFOQCM-CJNGLKHVSA-N 1 2 335.245 3.322 20 30 EGEDLO N#Cc1cc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)ccc1Br ZINC001232893664 1376535344 /nfs/dbraw/zinc/53/53/44/1376535344.db2.gz LMVIZKBTPFOQCM-CJNGLKHVSA-N 1 2 335.245 3.322 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccccc3Cl)CC2)c(O)c1 ZINC001233386331 1376633492 /nfs/dbraw/zinc/63/34/92/1376633492.db2.gz PMVJRGGVCHLWAR-UHFFFAOYSA-N 1 2 341.842 3.235 20 30 EGEDLO C/C=C(\C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC001233549453 1376667051 /nfs/dbraw/zinc/66/70/51/1376667051.db2.gz MQHLUVJYDYEFRU-FTTDQBRBSA-N 1 2 330.859 3.190 20 30 EGEDLO C/C=C(\C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001233549453 1376667055 /nfs/dbraw/zinc/66/70/55/1376667055.db2.gz MQHLUVJYDYEFRU-FTTDQBRBSA-N 1 2 330.859 3.190 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1)C(=O)C=C1CCC1 ZINC001233634529 1376689630 /nfs/dbraw/zinc/68/96/30/1376689630.db2.gz MNLRBXNLHJCVIR-LJQANCHMSA-N 1 2 342.870 3.335 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1)C(=O)C=C1CCC1 ZINC001233634529 1376689633 /nfs/dbraw/zinc/68/96/33/1376689633.db2.gz MNLRBXNLHJCVIR-LJQANCHMSA-N 1 2 342.870 3.335 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)c(Cl)c1 ZINC001238086094 1376994369 /nfs/dbraw/zinc/99/43/69/1376994369.db2.gz SULKQRHGYPMGIY-QGZVFWFLSA-N 1 2 331.847 3.189 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCCC2)c(Cl)c1 ZINC001238086094 1376994370 /nfs/dbraw/zinc/99/43/70/1376994370.db2.gz SULKQRHGYPMGIY-QGZVFWFLSA-N 1 2 331.847 3.189 20 30 EGEDLO C#C[C@@H]1CCC[N@@H+](Cc2cc(Br)cnc2OC(C)C)C1 ZINC001238440785 1376998565 /nfs/dbraw/zinc/99/85/65/1376998565.db2.gz KCAQIEMFTGMSMY-CYBMUJFWSA-N 1 2 337.261 3.477 20 30 EGEDLO C#C[C@@H]1CCC[N@H+](Cc2cc(Br)cnc2OC(C)C)C1 ZINC001238440785 1376998567 /nfs/dbraw/zinc/99/85/67/1376998567.db2.gz KCAQIEMFTGMSMY-CYBMUJFWSA-N 1 2 337.261 3.477 20 30 EGEDLO Cc1cc(F)cc(-c2cnc(C#N)c(F)c2)c1C[NH+]1CCOCC1 ZINC001238992969 1377005450 /nfs/dbraw/zinc/00/54/50/1377005450.db2.gz KXEIINXCUWYNBY-UHFFFAOYSA-N 1 2 329.350 3.039 20 30 EGEDLO N#Cc1ccccc1OC1C[NH+](Cc2ccccc2-n2cccn2)C1 ZINC001137103725 1377478151 /nfs/dbraw/zinc/47/81/51/1377478151.db2.gz FCQPQAAUOYSWCT-UHFFFAOYSA-N 1 2 330.391 3.007 20 30 EGEDLO N#CCOc1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)cc1 ZINC001137123806 1377482301 /nfs/dbraw/zinc/48/23/01/1377482301.db2.gz FBIOIVLJWYJHGL-GOSISDBHSA-N 1 2 349.425 3.284 20 30 EGEDLO CC(C)(C)OC(=O)N1CCc2cc(C[N@@H+]3CC[C@@H](C#N)C3)ccc2C1 ZINC001137446777 1377549371 /nfs/dbraw/zinc/54/93/71/1377549371.db2.gz KIZVYEBTESROAP-INIZCTEOSA-N 1 2 341.455 3.325 20 30 EGEDLO CC(C)(C)OC(=O)N1CCc2cc(C[N@H+]3CC[C@@H](C#N)C3)ccc2C1 ZINC001137446777 1377549372 /nfs/dbraw/zinc/54/93/72/1377549372.db2.gz KIZVYEBTESROAP-INIZCTEOSA-N 1 2 341.455 3.325 20 30 EGEDLO COc1ccc(C[NH+]2CCC(Oc3ncccc3C)CC2)c(C#N)c1 ZINC001137706565 1377600781 /nfs/dbraw/zinc/60/07/81/1377600781.db2.gz ICCGQIZUSZXTJS-UHFFFAOYSA-N 1 2 337.423 3.314 20 30 EGEDLO CCCOc1ccccc1C[NH+]1CCC(C#N)(C(=O)OCC)CC1 ZINC001138998474 1377815580 /nfs/dbraw/zinc/81/55/80/1377815580.db2.gz KFKURRWBHQECLW-UHFFFAOYSA-N 1 2 330.428 3.144 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1cc2ccccc2o1 ZINC001139066581 1377823776 /nfs/dbraw/zinc/82/37/76/1377823776.db2.gz YMUKPXABQQARQI-GOSISDBHSA-N 1 2 337.423 3.468 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1cc2ccccc2o1 ZINC001139066581 1377823777 /nfs/dbraw/zinc/82/37/77/1377823777.db2.gz YMUKPXABQQARQI-GOSISDBHSA-N 1 2 337.423 3.468 20 30 EGEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CCCN(c2cccnc2)CC1 ZINC001139693328 1377936223 /nfs/dbraw/zinc/93/62/23/1377936223.db2.gz ZDXQDRBRDCPZDI-UHFFFAOYSA-N 1 2 326.831 3.319 20 30 EGEDLO N#Cc1c(Cl)cccc1C[N@H+]1CCCN(c2cccnc2)CC1 ZINC001139693328 1377936226 /nfs/dbraw/zinc/93/62/26/1377936226.db2.gz ZDXQDRBRDCPZDI-UHFFFAOYSA-N 1 2 326.831 3.319 20 30 EGEDLO COc1ccc(O[C@H]2CC[N@H+](Cc3cccc(Cl)c3C#N)C2)nc1 ZINC001139692520 1377936424 /nfs/dbraw/zinc/93/64/24/1377936424.db2.gz BJMNLLLGZYDAFT-HNNXBMFYSA-N 1 2 343.814 3.269 20 30 EGEDLO COc1ccc(O[C@H]2CC[N@@H+](Cc3cccc(Cl)c3C#N)C2)nc1 ZINC001139692520 1377936425 /nfs/dbraw/zinc/93/64/25/1377936425.db2.gz BJMNLLLGZYDAFT-HNNXBMFYSA-N 1 2 343.814 3.269 20 30 EGEDLO C=CCn1cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](CCC)C2)cn1 ZINC001139770954 1377949361 /nfs/dbraw/zinc/94/93/61/1377949361.db2.gz ISHXYZXKHMQTBP-KRWDZBQOSA-N 1 2 348.491 3.291 20 30 EGEDLO C=CCn1cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](CCC)C2)cn1 ZINC001139770954 1377949362 /nfs/dbraw/zinc/94/93/62/1377949362.db2.gz ISHXYZXKHMQTBP-KRWDZBQOSA-N 1 2 348.491 3.291 20 30 EGEDLO N#Cc1ccc2[nH]cc(CN3CC[NH+](Cc4ccc(F)cc4)CC3)c2c1 ZINC001140112463 1378010682 /nfs/dbraw/zinc/01/06/82/1378010682.db2.gz VISFFOIAHVGCJB-UHFFFAOYSA-N 1 2 348.425 3.496 20 30 EGEDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2cc(F)c(C#N)c(F)c2)CC1 ZINC001140754371 1378130882 /nfs/dbraw/zinc/13/08/82/1378130882.db2.gz XIIQDQPFQFGVDU-UHFFFAOYSA-N 1 2 336.382 3.390 20 30 EGEDLO CC(=O)N(C(C)C)C1CC[NH+](Cc2cc(F)c(C#N)c(F)c2)CC1 ZINC001140756644 1378131260 /nfs/dbraw/zinc/13/12/60/1378131260.db2.gz OPPXXTIIDNUUHC-UHFFFAOYSA-N 1 2 335.398 3.058 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)c1Cl ZINC001140807489 1378146684 /nfs/dbraw/zinc/14/66/84/1378146684.db2.gz AVVVAPYEZRWKID-CHWSQXEVSA-N 1 2 332.753 3.347 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)c1Cl ZINC001140807489 1378146678 /nfs/dbraw/zinc/14/66/78/1378146678.db2.gz AVVVAPYEZRWKID-CHWSQXEVSA-N 1 2 332.753 3.347 20 30 EGEDLO COc1cccc2c1C[N@H+](Cc1sc(N)c(C#N)c1Cl)CC2 ZINC001141108595 1378240962 /nfs/dbraw/zinc/24/09/62/1378240962.db2.gz AVMPRRTXXFPRIP-UHFFFAOYSA-N 1 2 333.844 3.422 20 30 EGEDLO COc1cccc2c1C[N@@H+](Cc1sc(N)c(C#N)c1Cl)CC2 ZINC001141108595 1378240965 /nfs/dbraw/zinc/24/09/65/1378240965.db2.gz AVMPRRTXXFPRIP-UHFFFAOYSA-N 1 2 333.844 3.422 20 30 EGEDLO N#C[C@H](NC(=O)/C=C/c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC001142368255 1378437224 /nfs/dbraw/zinc/43/72/24/1378437224.db2.gz OVEXUJUUZIQPPN-CFGKVWFZSA-N 1 2 342.402 3.326 20 30 EGEDLO N#Cc1ccc2c(C[N@@H+]3CCN4CCc5ccccc5[C@@H]4C3)c[nH]c2c1 ZINC001142922414 1378509935 /nfs/dbraw/zinc/50/99/35/1378509935.db2.gz GZQLNYPNDSGZOJ-QFIPXVFZSA-N 1 2 342.446 3.455 20 30 EGEDLO N#Cc1ccc2c(C[N@H+]3CCN4CCc5ccccc5[C@@H]4C3)c[nH]c2c1 ZINC001142922414 1378509936 /nfs/dbraw/zinc/50/99/36/1378509936.db2.gz GZQLNYPNDSGZOJ-QFIPXVFZSA-N 1 2 342.446 3.455 20 30 EGEDLO C=CCN1CC[NH+](Cc2nccnc2-c2ccc(Cl)cc2)CC1 ZINC001142973713 1378520400 /nfs/dbraw/zinc/52/04/00/1378520400.db2.gz PAVXBFKFLJMIEN-UHFFFAOYSA-N 1 2 328.847 3.101 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C(C)(C)c2cccc(F)c2)C1 ZINC001282744553 1378595706 /nfs/dbraw/zinc/59/57/06/1378595706.db2.gz PEYLRTCYUFAOEF-ZDUSSCGKSA-N 1 2 338.854 3.292 20 30 EGEDLO C=CCC(C)(C)C(=O)NCc1c[nH+]cn1Cc1ccccc1OC ZINC001144075244 1378679936 /nfs/dbraw/zinc/67/99/36/1378679936.db2.gz JNTMORXXMNRCFF-UHFFFAOYSA-N 1 2 327.428 3.159 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C3CC3)o1)C2 ZINC001148087776 1379113925 /nfs/dbraw/zinc/11/39/25/1379113925.db2.gz GHPYEGWOMZDUQK-HUUCEWRRSA-N 1 2 343.471 3.045 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C3CC3)o1)C2 ZINC001148087776 1379113931 /nfs/dbraw/zinc/11/39/31/1379113931.db2.gz GHPYEGWOMZDUQK-HUUCEWRRSA-N 1 2 343.471 3.045 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)CC[C@@H](C)CC)C2)C1 ZINC001148486010 1379185751 /nfs/dbraw/zinc/18/57/51/1379185751.db2.gz XKWYIUGYMUJCNJ-ZDUSSCGKSA-N 1 2 343.309 3.256 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)CC[C@@H](C)CC)C2)C1 ZINC001148486010 1379185753 /nfs/dbraw/zinc/18/57/53/1379185753.db2.gz XKWYIUGYMUJCNJ-ZDUSSCGKSA-N 1 2 343.309 3.256 20 30 EGEDLO CCCCCCCCCCC(=O)NCC[NH2+]Cc1cnsn1 ZINC001148752028 1379260369 /nfs/dbraw/zinc/26/03/69/1379260369.db2.gz YMXUNVIURCYDPR-UHFFFAOYSA-N 1 2 326.510 3.275 20 30 EGEDLO CCCCCCCCCC(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001148820704 1379277168 /nfs/dbraw/zinc/27/71/68/1379277168.db2.gz MCRWVPCGZDKFGZ-CQSZACIVSA-N 1 2 326.510 3.446 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)C(CC)CC)C1 ZINC001149930204 1379469046 /nfs/dbraw/zinc/46/90/46/1379469046.db2.gz JBJHLSOHFWRMJF-HOCLYGCPSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)C(CC)CC)C1 ZINC001149930204 1379469047 /nfs/dbraw/zinc/46/90/47/1379469047.db2.gz JBJHLSOHFWRMJF-HOCLYGCPSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C2(CC(C)C)CCC2)C1 ZINC001149966532 1379475548 /nfs/dbraw/zinc/47/55/48/1379475548.db2.gz LPOPANFXUBGUOM-MRXNPFEDSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C2(CC(C)C)CCC2)C1 ZINC001149966532 1379475552 /nfs/dbraw/zinc/47/55/52/1379475552.db2.gz LPOPANFXUBGUOM-MRXNPFEDSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H](CCC)C(C)C)C1 ZINC001150385472 1379543453 /nfs/dbraw/zinc/54/34/53/1379543453.db2.gz BRGHAAQFBMYVHJ-HZPDHXFCSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H](CCC)C(C)C)C1 ZINC001150385472 1379543457 /nfs/dbraw/zinc/54/34/57/1379543457.db2.gz BRGHAAQFBMYVHJ-HZPDHXFCSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001150745734 1379605638 /nfs/dbraw/zinc/60/56/38/1379605638.db2.gz RJJSAVMODWTGDF-FUHWJXTLSA-N 1 2 340.895 3.083 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001150745734 1379605639 /nfs/dbraw/zinc/60/56/39/1379605639.db2.gz RJJSAVMODWTGDF-FUHWJXTLSA-N 1 2 340.895 3.083 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)CC1CCCC1 ZINC001151644309 1379754645 /nfs/dbraw/zinc/75/46/45/1379754645.db2.gz SRYQILLQPGRASR-CYBMUJFWSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)CC1CCCC1 ZINC001151644309 1379754651 /nfs/dbraw/zinc/75/46/51/1379754651.db2.gz SRYQILLQPGRASR-CYBMUJFWSA-N 1 2 331.298 3.302 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C(F)=C(C)C ZINC001152723419 1379975739 /nfs/dbraw/zinc/97/57/39/1379975739.db2.gz AUXGXWUQEXZZJW-CYBMUJFWSA-N 1 2 335.398 3.287 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C(F)=C(C)C ZINC001152723419 1379975742 /nfs/dbraw/zinc/97/57/42/1379975742.db2.gz AUXGXWUQEXZZJW-CYBMUJFWSA-N 1 2 335.398 3.287 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(F)ccc1C#N ZINC001152867258 1379988060 /nfs/dbraw/zinc/98/80/60/1379988060.db2.gz LWRKLUPISYNSHQ-MRXNPFEDSA-N 1 2 343.446 3.218 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(F)ccc1C#N ZINC001152867258 1379988062 /nfs/dbraw/zinc/98/80/62/1379988062.db2.gz LWRKLUPISYNSHQ-MRXNPFEDSA-N 1 2 343.446 3.218 20 30 EGEDLO CC/C(C)=C\C(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(F)ccc1C#N ZINC001153180670 1380031533 /nfs/dbraw/zinc/03/15/33/1380031533.db2.gz LQIYCZOSKSLXIS-KQGZCTBQSA-N 1 2 331.435 3.380 20 30 EGEDLO CC/C(C)=C\C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(F)ccc1C#N ZINC001153180670 1380031536 /nfs/dbraw/zinc/03/15/36/1380031536.db2.gz LQIYCZOSKSLXIS-KQGZCTBQSA-N 1 2 331.435 3.380 20 30 EGEDLO CC[N@H+](Cc1csc(C2CC2)n1)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207429 1380035547 /nfs/dbraw/zinc/03/55/47/1380035547.db2.gz IWCFLJIOEXJZJX-CQSZACIVSA-N 1 2 333.501 3.007 20 30 EGEDLO CC[N@@H+](Cc1csc(C2CC2)n1)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207429 1380035551 /nfs/dbraw/zinc/03/55/51/1380035551.db2.gz IWCFLJIOEXJZJX-CQSZACIVSA-N 1 2 333.501 3.007 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@@H]1CCC1(C)C ZINC001154737493 1380343564 /nfs/dbraw/zinc/34/35/64/1380343564.db2.gz YCCDIUVLUQLUMN-KDOFPFPSSA-N 1 2 345.462 3.460 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@@H]1CCC1(C)C ZINC001154737493 1380343565 /nfs/dbraw/zinc/34/35/65/1380343565.db2.gz YCCDIUVLUQLUMN-KDOFPFPSSA-N 1 2 345.462 3.460 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C2CC2)o1 ZINC001154742270 1380343996 /nfs/dbraw/zinc/34/39/96/1380343996.db2.gz BDGXISABWDLJQW-LSDHHAIUSA-N 1 2 333.476 3.481 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C2CC2)o1 ZINC001154742270 1380343997 /nfs/dbraw/zinc/34/39/97/1380343997.db2.gz BDGXISABWDLJQW-LSDHHAIUSA-N 1 2 333.476 3.481 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C(C)(C)C)o1 ZINC001154750790 1380345141 /nfs/dbraw/zinc/34/51/41/1380345141.db2.gz APDZOLRRICEWHD-MRXNPFEDSA-N 1 2 347.503 3.492 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C(C)(C)C)o1 ZINC001154750790 1380345143 /nfs/dbraw/zinc/34/51/43/1380345143.db2.gz APDZOLRRICEWHD-MRXNPFEDSA-N 1 2 347.503 3.492 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)c3ncccc23)CC1 ZINC001155120822 1380412985 /nfs/dbraw/zinc/41/29/85/1380412985.db2.gz TWGHIVCDGCELIO-UHFFFAOYSA-N 1 2 349.356 3.197 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1coc(C2CC2)n1 ZINC001155489978 1380459770 /nfs/dbraw/zinc/45/97/70/1380459770.db2.gz RUWUZVCHTPLXNF-CQSZACIVSA-N 1 2 333.476 3.481 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1coc(C2CC2)n1 ZINC001155489978 1380459771 /nfs/dbraw/zinc/45/97/71/1380459771.db2.gz RUWUZVCHTPLXNF-CQSZACIVSA-N 1 2 333.476 3.481 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)c1c(C)n[nH]c1C(C)C ZINC001156254347 1380548932 /nfs/dbraw/zinc/54/89/32/1380548932.db2.gz RIBDXRWXGXSIOY-GFCCVEGCSA-N 1 2 326.872 3.034 20 30 EGEDLO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)c1c(C)n[nH]c1C(C)C ZINC001156254347 1380548933 /nfs/dbraw/zinc/54/89/33/1380548933.db2.gz RIBDXRWXGXSIOY-GFCCVEGCSA-N 1 2 326.872 3.034 20 30 EGEDLO CC(C)(Nc1cc(N2CCSCC2)nc[nH+]1)c1ccc(C#N)cc1 ZINC001156432999 1380575401 /nfs/dbraw/zinc/57/54/01/1380575401.db2.gz BTXZNWPWVDQOEN-UHFFFAOYSA-N 1 2 339.468 3.249 20 30 EGEDLO CC(C)(Nc1cc(N2CCSCC2)[nH+]cn1)c1ccc(C#N)cc1 ZINC001156432999 1380575403 /nfs/dbraw/zinc/57/54/03/1380575403.db2.gz BTXZNWPWVDQOEN-UHFFFAOYSA-N 1 2 339.468 3.249 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2nccs2)CCCCC1 ZINC001157235921 1380820541 /nfs/dbraw/zinc/82/05/41/1380820541.db2.gz ALZNTIYCBYYOHB-MRXNPFEDSA-N 1 2 347.528 3.444 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2nccs2)CCCCC1 ZINC001157235921 1380820545 /nfs/dbraw/zinc/82/05/45/1380820545.db2.gz ALZNTIYCBYYOHB-MRXNPFEDSA-N 1 2 347.528 3.444 20 30 EGEDLO C#CCCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nccs1 ZINC001157849822 1381050470 /nfs/dbraw/zinc/05/04/70/1381050470.db2.gz HWMKJMUCYSLVRQ-MRXNPFEDSA-N 1 2 333.501 3.150 20 30 EGEDLO C#CCCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nccs1 ZINC001157849822 1381050475 /nfs/dbraw/zinc/05/04/75/1381050475.db2.gz HWMKJMUCYSLVRQ-MRXNPFEDSA-N 1 2 333.501 3.150 20 30 EGEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(C)s1 ZINC001157885460 1381059543 /nfs/dbraw/zinc/05/95/43/1381059543.db2.gz WNKGVPSNEATEOZ-MRXNPFEDSA-N 1 2 333.501 3.068 20 30 EGEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(C)s1 ZINC001157885460 1381059549 /nfs/dbraw/zinc/05/95/49/1381059549.db2.gz WNKGVPSNEATEOZ-MRXNPFEDSA-N 1 2 333.501 3.068 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cc(C)n(C)n1 ZINC001157999584 1381097366 /nfs/dbraw/zinc/09/73/66/1381097366.db2.gz LYQHVEONCPMCRX-GOSISDBHSA-N 1 2 346.519 3.144 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cc(C)n(C)n1 ZINC001157999584 1381097371 /nfs/dbraw/zinc/09/73/71/1381097371.db2.gz LYQHVEONCPMCRX-GOSISDBHSA-N 1 2 346.519 3.144 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(C)o1 ZINC001158370670 1381221862 /nfs/dbraw/zinc/22/18/62/1381221862.db2.gz YCXJNROYUPSYBA-DLBZAZTESA-N 1 2 333.476 3.398 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(C)o1 ZINC001158370670 1381221867 /nfs/dbraw/zinc/22/18/67/1381221867.db2.gz YCXJNROYUPSYBA-DLBZAZTESA-N 1 2 333.476 3.398 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nc(C)c(C)o1 ZINC001158419339 1381239474 /nfs/dbraw/zinc/23/94/74/1381239474.db2.gz LFUXMWHMLMJIQM-QGZVFWFLSA-N 1 2 333.476 3.461 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nc(C)c(C)o1 ZINC001158419339 1381239476 /nfs/dbraw/zinc/23/94/76/1381239476.db2.gz LFUXMWHMLMJIQM-QGZVFWFLSA-N 1 2 333.476 3.461 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@H](C)c1nnc(CC)o1 ZINC001158427195 1381241810 /nfs/dbraw/zinc/24/18/10/1381241810.db2.gz TZGDAWCLQJOPEU-HZPDHXFCSA-N 1 2 348.491 3.362 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@H](C)c1nnc(CC)o1 ZINC001158427195 1381241816 /nfs/dbraw/zinc/24/18/16/1381241816.db2.gz TZGDAWCLQJOPEU-HZPDHXFCSA-N 1 2 348.491 3.362 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)[C@H]2CC2(C)C)CC1 ZINC001159827805 1381913463 /nfs/dbraw/zinc/91/34/63/1381913463.db2.gz MNIYWJIJTZWZHR-CQSZACIVSA-N 1 2 341.293 3.080 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CC2(C)C)CC1 ZINC001159827805 1381913466 /nfs/dbraw/zinc/91/34/66/1381913466.db2.gz MNIYWJIJTZWZHR-CQSZACIVSA-N 1 2 341.293 3.080 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@H+](Cc2ccn(CC)n2)CC1 ZINC001160856242 1382217501 /nfs/dbraw/zinc/21/75/01/1382217501.db2.gz IKFHAMXDIOGWGZ-UHFFFAOYSA-N 1 2 344.503 3.144 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2ccn(CC)n2)CC1 ZINC001160856242 1382217512 /nfs/dbraw/zinc/21/75/12/1382217512.db2.gz IKFHAMXDIOGWGZ-UHFFFAOYSA-N 1 2 344.503 3.144 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@H+](Cc2nccn2CC)CC1 ZINC001160991195 1382264588 /nfs/dbraw/zinc/26/45/88/1382264588.db2.gz MRBXGAFGDCYXRR-QGZVFWFLSA-N 1 2 344.503 3.144 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@@H+](Cc2nccn2CC)CC1 ZINC001160991195 1382264593 /nfs/dbraw/zinc/26/45/93/1382264593.db2.gz MRBXGAFGDCYXRR-QGZVFWFLSA-N 1 2 344.503 3.144 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@H+](Cc2nccc(C)n2)CC1 ZINC001160991609 1382264763 /nfs/dbraw/zinc/26/47/63/1382264763.db2.gz RNCXORVBCGLBPO-QGZVFWFLSA-N 1 2 342.487 3.026 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@@H+](Cc2nccc(C)n2)CC1 ZINC001160991609 1382264766 /nfs/dbraw/zinc/26/47/66/1382264766.db2.gz RNCXORVBCGLBPO-QGZVFWFLSA-N 1 2 342.487 3.026 20 30 EGEDLO CCCCCCCCCCN(C)C(=O)[C@H]1CC[NH2+][C@@H](C(=O)OC)C1 ZINC001161227140 1382348797 /nfs/dbraw/zinc/34/87/97/1382348797.db2.gz OYVJJKOECSTNLR-DLBZAZTESA-N 1 2 340.508 3.127 20 30 EGEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCc2cccn2C)[nH+]1 ZINC001162709324 1382843383 /nfs/dbraw/zinc/84/33/83/1382843383.db2.gz CRLMDYQTVKRCEQ-YRXHENJZSA-N 1 2 332.473 3.222 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1(C[NH2+]CC(F)(F)C(F)F)CC1 ZINC001167018495 1383519683 /nfs/dbraw/zinc/51/96/83/1383519683.db2.gz LFHZGNVVHBWURG-AWEZNQCLSA-N 1 2 338.389 3.365 20 30 EGEDLO N#CC1(c2ccccc2)CCC([N@@H+]2C[C@@H](CO)CC(F)(F)C2)CC1 ZINC001170378402 1384303518 /nfs/dbraw/zinc/30/35/18/1384303518.db2.gz ABGYZULVGORKEP-ZLPCBKJTSA-N 1 2 334.410 3.340 20 30 EGEDLO N#CC1(c2ccccc2)CCC([N@H+]2C[C@@H](CO)CC(F)(F)C2)CC1 ZINC001170378402 1384303522 /nfs/dbraw/zinc/30/35/22/1384303522.db2.gz ABGYZULVGORKEP-ZLPCBKJTSA-N 1 2 334.410 3.340 20 30 EGEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1Cc2nnc(C(F)(F)F)n2[C@@H](C)C1 ZINC001171231364 1384475445 /nfs/dbraw/zinc/47/54/45/1384475445.db2.gz ISJKFRQINQZJGL-NEPJUHHUSA-N 1 2 349.360 3.176 20 30 EGEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1Cc2nnc(C(F)(F)F)n2[C@@H](C)C1 ZINC001171231364 1384475446 /nfs/dbraw/zinc/47/54/46/1384475446.db2.gz ISJKFRQINQZJGL-NEPJUHHUSA-N 1 2 349.360 3.176 20 30 EGEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001172309914 1384765274 /nfs/dbraw/zinc/76/52/74/1384765274.db2.gz XNTSWHIBUNHERU-JQFCIGGWSA-N 1 2 347.434 3.036 20 30 EGEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001172309914 1384765276 /nfs/dbraw/zinc/76/52/76/1384765276.db2.gz XNTSWHIBUNHERU-JQFCIGGWSA-N 1 2 347.434 3.036 20 30 EGEDLO C[C@H](CCCC#N)[N@@H+]1CCn2c(COc3cccnc3)cnc2[C@@H]1C ZINC001172499457 1384805495 /nfs/dbraw/zinc/80/54/95/1384805495.db2.gz SCRSJKYYTWSHBR-CVEARBPZSA-N 1 2 339.443 3.316 20 30 EGEDLO C[C@H](CCCC#N)[N@H+]1CCn2c(COc3cccnc3)cnc2[C@@H]1C ZINC001172499457 1384805498 /nfs/dbraw/zinc/80/54/98/1384805498.db2.gz SCRSJKYYTWSHBR-CVEARBPZSA-N 1 2 339.443 3.316 20 30 EGEDLO C[C@@H](C#N)[N@H+](C)[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172535467 1384809082 /nfs/dbraw/zinc/80/90/82/1384809082.db2.gz JZCLDJDQBHDJOD-DSLXNQLJSA-N 1 2 325.456 3.161 20 30 EGEDLO C[C@@H](C#N)[N@@H+](C)[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172535467 1384809086 /nfs/dbraw/zinc/80/90/86/1384809086.db2.gz JZCLDJDQBHDJOD-DSLXNQLJSA-N 1 2 325.456 3.161 20 30 EGEDLO CC(C)OC(=O)[C@H](Cc1ccc(O)cc1)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173592196 1384983083 /nfs/dbraw/zinc/98/30/83/1384983083.db2.gz JYMZQBPOUDCFGB-IPCDKGFNSA-N 1 2 344.455 3.317 20 30 EGEDLO C=C[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1nc(C)oc1C)c1ccccc1 ZINC001317415529 1385125531 /nfs/dbraw/zinc/12/55/31/1385125531.db2.gz LPFDJTRKLXYVAT-KBXCAEBGSA-N 1 2 341.455 3.246 20 30 EGEDLO CCc1occc1C(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1 ZINC001317550058 1385306761 /nfs/dbraw/zinc/30/67/61/1385306761.db2.gz QGVXLIYXNTXLDT-UHFFFAOYSA-N 1 2 337.423 3.108 20 30 EGEDLO CCc1occc1C(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1 ZINC001317550058 1385306762 /nfs/dbraw/zinc/30/67/62/1385306762.db2.gz QGVXLIYXNTXLDT-UHFFFAOYSA-N 1 2 337.423 3.108 20 30 EGEDLO C[C@@H](C(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1)C1CCC1 ZINC001317551475 1385311286 /nfs/dbraw/zinc/31/12/86/1385311286.db2.gz GYQYNBHNGNRJSP-CQSZACIVSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@@H](C(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1)C1CCC1 ZINC001317551475 1385311291 /nfs/dbraw/zinc/31/12/91/1385311291.db2.gz GYQYNBHNGNRJSP-CQSZACIVSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(CCC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC001317986968 1385600480 /nfs/dbraw/zinc/60/04/80/1385600480.db2.gz DIFJTYUCLLBYHG-SFHVURJKSA-N 1 2 325.456 3.219 20 30 EGEDLO CC1(CCC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC001317986968 1385600483 /nfs/dbraw/zinc/60/04/83/1385600483.db2.gz DIFJTYUCLLBYHG-SFHVURJKSA-N 1 2 325.456 3.219 20 30 EGEDLO N#Cc1ccc(F)c(F)c1NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176966911 1385757605 /nfs/dbraw/zinc/75/76/05/1385757605.db2.gz DDGQHEASXGEXEE-ZDUSSCGKSA-N 1 2 342.349 3.087 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2OCC[N@@H+](Cc3ccc(C)cc3)[C@@H]2C1 ZINC001177072997 1385795682 /nfs/dbraw/zinc/79/56/82/1385795682.db2.gz MWCZZKBTZIRNRJ-WOJBJXKFSA-N 1 2 342.483 3.153 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2OCC[N@H+](Cc3ccc(C)cc3)[C@@H]2C1 ZINC001177072997 1385795685 /nfs/dbraw/zinc/79/56/85/1385795685.db2.gz MWCZZKBTZIRNRJ-WOJBJXKFSA-N 1 2 342.483 3.153 20 30 EGEDLO C=CCn1cnn(C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c1=S ZINC001318618570 1385799314 /nfs/dbraw/zinc/79/93/14/1385799314.db2.gz YVUXYGOQYCPZNX-OAHLLOKOSA-N 1 2 332.448 3.261 20 30 EGEDLO C=CCn1cnn(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c1=S ZINC001318618570 1385799318 /nfs/dbraw/zinc/79/93/18/1385799318.db2.gz YVUXYGOQYCPZNX-OAHLLOKOSA-N 1 2 332.448 3.261 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]3OCC[N@@H+](CC(=C)C)[C@@H]3C2)CCCC1 ZINC001177163493 1385840259 /nfs/dbraw/zinc/84/02/59/1385840259.db2.gz UFBUGZIHFWPISD-MSOLQXFVSA-N 1 2 332.488 3.001 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]3OCC[N@H+](CC(=C)C)[C@@H]3C2)CCCC1 ZINC001177163493 1385840266 /nfs/dbraw/zinc/84/02/66/1385840266.db2.gz UFBUGZIHFWPISD-MSOLQXFVSA-N 1 2 332.488 3.001 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([NH2+]Cc2nc(CCCC)no2)[C@@H]1C ZINC001178795387 1386307301 /nfs/dbraw/zinc/30/73/01/1386307301.db2.gz PBSVQRHDRWCAEX-GJZGRUSLSA-N 1 2 348.491 3.094 20 30 EGEDLO C=C[C@H](COC)[NH2+]Cc1csc(COc2ccc(OC)cc2)n1 ZINC001320300127 1386571733 /nfs/dbraw/zinc/57/17/33/1386571733.db2.gz YNXPMJGWSRQGGP-CYBMUJFWSA-N 1 2 334.441 3.021 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)CC1 ZINC001182364644 1387157203 /nfs/dbraw/zinc/15/72/03/1387157203.db2.gz KWIOVRUXPKQNNG-CABCVRRESA-N 1 2 338.373 3.139 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nnc(CC(C)C)o2)C1 ZINC001182894025 1387241158 /nfs/dbraw/zinc/24/11/58/1387241158.db2.gz RGUUQIOOASMZNH-LSDHHAIUSA-N 1 2 348.491 3.122 20 30 EGEDLO CCOc1ccc(C(=O)/C=C\c2ccc[nH+]c2N(C)C)cc1[N+](=O)[O-] ZINC001322820243 1387242694 /nfs/dbraw/zinc/24/26/94/1387242694.db2.gz QMWIIOIINQEETF-CLFYSBASSA-N 1 2 341.367 3.351 20 30 EGEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCCC1 ZINC001340617341 1390328675 /nfs/dbraw/zinc/32/86/75/1390328675.db2.gz DKXDGINMBUUDNZ-INIZCTEOSA-N 1 2 325.460 3.257 20 30 EGEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCCC1 ZINC001340617341 1390328678 /nfs/dbraw/zinc/32/86/78/1390328678.db2.gz DKXDGINMBUUDNZ-INIZCTEOSA-N 1 2 325.460 3.257 20 30 EGEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(CC)CC(C)C ZINC001342247889 1390590911 /nfs/dbraw/zinc/59/09/11/1390590911.db2.gz OUPCKLJQFXBZTL-KRWDZBQOSA-N 1 2 349.523 3.118 20 30 EGEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(CC)CC(C)C ZINC001342247889 1390590914 /nfs/dbraw/zinc/59/09/14/1390590914.db2.gz OUPCKLJQFXBZTL-KRWDZBQOSA-N 1 2 349.523 3.118 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](CF)C1 ZINC001342329852 1390601883 /nfs/dbraw/zinc/60/18/83/1390601883.db2.gz QSJNJDNWEUFWAK-HOTGVXAUSA-N 1 2 335.471 3.197 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](CF)C1 ZINC001342329852 1390601885 /nfs/dbraw/zinc/60/18/85/1390601885.db2.gz QSJNJDNWEUFWAK-HOTGVXAUSA-N 1 2 335.471 3.197 20 30 EGEDLO N#CCC[C@H](C#N)C[NH2+]C[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC001335400523 1390679931 /nfs/dbraw/zinc/67/99/31/1390679931.db2.gz QSHRZUXZVMSRAJ-BXUZGUMPSA-N 1 2 345.752 3.123 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@H](C2CCC2)C1 ZINC001343457335 1390715387 /nfs/dbraw/zinc/71/53/87/1390715387.db2.gz NDTDVYXMLCXWMB-DLBZAZTESA-N 1 2 329.492 3.247 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@H](C2CCC2)C1 ZINC001343457335 1390715388 /nfs/dbraw/zinc/71/53/88/1390715388.db2.gz NDTDVYXMLCXWMB-DLBZAZTESA-N 1 2 329.492 3.247 20 30 EGEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCS[C@H](CC)C1 ZINC001343771826 1390736006 /nfs/dbraw/zinc/73/60/06/1390736006.db2.gz FEEVCWRTSNEZHN-MRXNPFEDSA-N 1 2 349.548 3.172 20 30 EGEDLO CC[N@H+](C)[C@H](C(=O)O[C@H](C)CC#Cc1cccnc1)c1ccccc1 ZINC001345044052 1390832645 /nfs/dbraw/zinc/83/26/45/1390832645.db2.gz AFHHYABRMACZPO-XLIONFOSSA-N 1 2 336.435 3.448 20 30 EGEDLO CC[N@@H+](C)[C@H](C(=O)O[C@H](C)CC#Cc1cccnc1)c1ccccc1 ZINC001345044052 1390832646 /nfs/dbraw/zinc/83/26/46/1390832646.db2.gz AFHHYABRMACZPO-XLIONFOSSA-N 1 2 336.435 3.448 20 30 EGEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@@H]1CCC[C@H](C)C1 ZINC001345994694 1390899252 /nfs/dbraw/zinc/89/92/52/1390899252.db2.gz UOQHDZHTIMXOQL-JKSUJKDBSA-N 1 2 342.491 3.193 20 30 EGEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@H]1CCC[C@@H](C)C1 ZINC001345994691 1390899405 /nfs/dbraw/zinc/89/94/05/1390899405.db2.gz UOQHDZHTIMXOQL-CVEARBPZSA-N 1 2 342.491 3.193 20 30 EGEDLO C#CCC1(C(=O)N2CC[NH2+][C@@H](c3cccc(OC)c3)C2)CCCCC1 ZINC001347255587 1391040806 /nfs/dbraw/zinc/04/08/06/1391040806.db2.gz FLSFWMXPXNKXHN-LJQANCHMSA-N 1 2 340.467 3.142 20 30 EGEDLO N#Cc1ccc(N2CCC(c3c[nH]c[nH+]3)CC2)cc1Br ZINC001348031392 1391162965 /nfs/dbraw/zinc/16/29/65/1391162965.db2.gz LJTAGXUAJKJOOC-UHFFFAOYSA-N 1 2 331.217 3.428 20 30 EGEDLO C#CCC1(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)CCCCC1 ZINC001353787148 1392088774 /nfs/dbraw/zinc/08/87/74/1392088774.db2.gz DKZAPYWJAXOQDK-GOSISDBHSA-N 1 2 328.431 3.272 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CCC[N@@H+](Cc2nc(C)c(C)s2)C1 ZINC001479907964 1392475631 /nfs/dbraw/zinc/47/56/31/1392475631.db2.gz AXERTZMVZXRAPL-KRWDZBQOSA-N 1 2 347.528 3.424 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CCC[N@H+](Cc2nc(C)c(C)s2)C1 ZINC001479907964 1392475634 /nfs/dbraw/zinc/47/56/34/1392475634.db2.gz AXERTZMVZXRAPL-KRWDZBQOSA-N 1 2 347.528 3.424 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)c2ccccc2O)CC1 ZINC001479990916 1392522441 /nfs/dbraw/zinc/52/24/41/1392522441.db2.gz RQNURAFHCOTTPN-UHFFFAOYSA-N 1 2 336.863 3.461 20 30 EGEDLO CC(C)(CC(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1)C1CC1 ZINC001481168434 1393140477 /nfs/dbraw/zinc/14/04/77/1393140477.db2.gz XEXZERDSFDDGOU-UHFFFAOYSA-N 1 2 339.483 3.465 20 30 EGEDLO CC(C)(CC(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1)C1CC1 ZINC001481168434 1393140478 /nfs/dbraw/zinc/14/04/78/1393140478.db2.gz XEXZERDSFDDGOU-UHFFFAOYSA-N 1 2 339.483 3.465 20 30 EGEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)c1ccc(F)cc1 ZINC001714651339 1419429155 /nfs/dbraw/zinc/42/91/55/1419429155.db2.gz NHJSSMYKZHJHGH-UHFFFAOYSA-N 1 2 343.240 3.176 20 30 EGEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1ccc(F)cc1 ZINC001714651339 1419429158 /nfs/dbraw/zinc/42/91/58/1419429158.db2.gz NHJSSMYKZHJHGH-UHFFFAOYSA-N 1 2 343.240 3.176 20 30 EGEDLO CCCC1(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)CC1 ZINC001481537111 1394397820 /nfs/dbraw/zinc/39/78/20/1394397820.db2.gz FCRUJCGQSBMOLI-KRWDZBQOSA-N 1 2 343.446 3.358 20 30 EGEDLO CCCC1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)CC1 ZINC001481537111 1394397823 /nfs/dbraw/zinc/39/78/23/1394397823.db2.gz FCRUJCGQSBMOLI-KRWDZBQOSA-N 1 2 343.446 3.358 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)Cc1nc(C)sc1C ZINC001491214396 1394474685 /nfs/dbraw/zinc/47/46/85/1394474685.db2.gz PUJNAYUFPZHOLU-AWEZNQCLSA-N 1 2 341.908 3.026 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)Cc1nc(C)sc1C ZINC001491214396 1394474689 /nfs/dbraw/zinc/47/46/89/1394474689.db2.gz PUJNAYUFPZHOLU-AWEZNQCLSA-N 1 2 341.908 3.026 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)CCC2(C)CC2)C1 ZINC001481778667 1394523273 /nfs/dbraw/zinc/52/32/73/1394523273.db2.gz XBRFGUSUQHEZCK-CQSZACIVSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCC2(C)CC2)C1 ZINC001481778667 1394523276 /nfs/dbraw/zinc/52/32/76/1394523276.db2.gz XBRFGUSUQHEZCK-CQSZACIVSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1ccc(C)cc1Cl ZINC001485321075 1395797263 /nfs/dbraw/zinc/79/72/63/1395797263.db2.gz UMVPCAMTOITZJI-CYBMUJFWSA-N 1 2 329.271 3.380 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1ccc(C)cc1Cl ZINC001485321075 1395797269 /nfs/dbraw/zinc/79/72/69/1395797269.db2.gz UMVPCAMTOITZJI-CYBMUJFWSA-N 1 2 329.271 3.380 20 30 EGEDLO CCCC[C@@](C)(F)C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001492309246 1396318694 /nfs/dbraw/zinc/31/86/94/1396318694.db2.gz PGQJKOFWJHCKEM-GOSISDBHSA-N 1 2 337.414 3.164 20 30 EGEDLO CCCC[C@@](C)(F)C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001492309246 1396318695 /nfs/dbraw/zinc/31/86/95/1396318695.db2.gz PGQJKOFWJHCKEM-GOSISDBHSA-N 1 2 337.414 3.164 20 30 EGEDLO C[C@H](C#N)C(=O)NCC1C[NH+]([C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC001494537483 1396460708 /nfs/dbraw/zinc/46/07/08/1396460708.db2.gz FUQYHUTVTCFUAP-GHMZBOCLSA-N 1 2 340.254 3.262 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](OC)c1ccccc1 ZINC001690457330 1404585592 /nfs/dbraw/zinc/58/55/92/1404585592.db2.gz LCIWGMJIFORGRK-IAGOWNOFSA-N 1 2 336.863 3.097 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](OC)c1ccccc1 ZINC001690457330 1404585597 /nfs/dbraw/zinc/58/55/97/1404585597.db2.gz LCIWGMJIFORGRK-IAGOWNOFSA-N 1 2 336.863 3.097 20 30 EGEDLO CC(C)(F)C(=O)NC[C@H]([NH2+]Cc1ccccc1C#N)c1ccccc1 ZINC001732017687 1428234197 /nfs/dbraw/zinc/23/41/97/1428234197.db2.gz NNXCJCWWKNKRHJ-SFHVURJKSA-N 1 2 339.414 3.253 20 30 EGEDLO CCCN(C(=O)c1ccccn1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001732035223 1428254545 /nfs/dbraw/zinc/25/45/45/1428254545.db2.gz VEZOHFVNGAVVGI-LJQANCHMSA-N 1 2 348.450 3.080 20 30 EGEDLO CCCN(C(=O)c1ccccn1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001732035223 1428254547 /nfs/dbraw/zinc/25/45/47/1428254547.db2.gz VEZOHFVNGAVVGI-LJQANCHMSA-N 1 2 348.450 3.080 20 30 EGEDLO Cc1oc(C)c(C(=O)N(C)CC[N@H+](C)Cc2ccccc2C#N)c1C ZINC001732586190 1428799478 /nfs/dbraw/zinc/79/94/78/1428799478.db2.gz GLDFBPLXNINUIR-UHFFFAOYSA-N 1 2 339.439 3.281 20 30 EGEDLO Cc1oc(C)c(C(=O)N(C)CC[N@@H+](C)Cc2ccccc2C#N)c1C ZINC001732586190 1428799483 /nfs/dbraw/zinc/79/94/83/1428799483.db2.gz GLDFBPLXNINUIR-UHFFFAOYSA-N 1 2 339.439 3.281 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCc2ccccc2F)[C@H]1C ZINC001700890422 1414549854 /nfs/dbraw/zinc/54/98/54/1414549854.db2.gz WDRUUXFGLSHPNM-PBHICJAKSA-N 1 2 338.854 3.480 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCc2ccccc2F)[C@H]1C ZINC001700890422 1414549859 /nfs/dbraw/zinc/54/98/59/1414549859.db2.gz WDRUUXFGLSHPNM-PBHICJAKSA-N 1 2 338.854 3.480 20 30 EGEDLO CCC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CCCC1 ZINC001713087500 1417634308 /nfs/dbraw/zinc/63/43/08/1417634308.db2.gz HCINLVPCPLBYMQ-QGZVFWFLSA-N 1 2 343.446 3.358 20 30 EGEDLO CCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CCCC1 ZINC001713087500 1417634313 /nfs/dbraw/zinc/63/43/13/1417634313.db2.gz HCINLVPCPLBYMQ-QGZVFWFLSA-N 1 2 343.446 3.358 20 30 EGEDLO C[N@H+](CCNC(=O)c1sccc1Cl)Cc1ccccc1C#N ZINC001713453577 1418101380 /nfs/dbraw/zinc/10/13/80/1418101380.db2.gz HRNXSXQVQGEFGH-UHFFFAOYSA-N 1 2 333.844 3.135 20 30 EGEDLO C[N@@H+](CCNC(=O)c1sccc1Cl)Cc1ccccc1C#N ZINC001713453577 1418101381 /nfs/dbraw/zinc/10/13/81/1418101381.db2.gz HRNXSXQVQGEFGH-UHFFFAOYSA-N 1 2 333.844 3.135 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@]1(c2ccccc2)CCCO1)C1CC1 ZINC001713564860 1418373303 /nfs/dbraw/zinc/37/33/03/1418373303.db2.gz NYRMJUQSRJTSSG-LJQANCHMSA-N 1 2 348.874 3.025 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@]1(c2ccccc2)CCCO1)C1CC1 ZINC001713564860 1418373306 /nfs/dbraw/zinc/37/33/06/1418373306.db2.gz NYRMJUQSRJTSSG-LJQANCHMSA-N 1 2 348.874 3.025 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC001713978816 1418759823 /nfs/dbraw/zinc/75/98/23/1418759823.db2.gz TZABYDXWYBEZIG-QGZVFWFLSA-N 1 2 339.439 3.388 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC001713978816 1418759825 /nfs/dbraw/zinc/75/98/25/1418759825.db2.gz TZABYDXWYBEZIG-QGZVFWFLSA-N 1 2 339.439 3.388 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)COc1cccc(Cl)c1 ZINC001714616860 1419379840 /nfs/dbraw/zinc/37/98/40/1419379840.db2.gz ABSZPTBWNNLTKZ-CQSZACIVSA-N 1 2 343.254 3.052 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)COc1cccc(Cl)c1 ZINC001714616860 1419379843 /nfs/dbraw/zinc/37/98/43/1419379843.db2.gz ABSZPTBWNNLTKZ-CQSZACIVSA-N 1 2 343.254 3.052 20 30 EGEDLO CCC[C@@H](C)C(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001714660634 1419445519 /nfs/dbraw/zinc/44/55/19/1419445519.db2.gz HMMBMXWAERLFAC-CQSZACIVSA-N 1 2 331.435 3.214 20 30 EGEDLO CCC[C@@H](C)C(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001714660634 1419445521 /nfs/dbraw/zinc/44/55/21/1419445521.db2.gz HMMBMXWAERLFAC-CQSZACIVSA-N 1 2 331.435 3.214 20 30 EGEDLO CC1(CCC(=O)NCC[N@H+](Cc2cc(C#N)ccc2F)C2CC2)CC1 ZINC001714675473 1419467578 /nfs/dbraw/zinc/46/75/78/1419467578.db2.gz VTNHHIXOXKOEBT-UHFFFAOYSA-N 1 2 343.446 3.358 20 30 EGEDLO CC1(CCC(=O)NCC[N@@H+](Cc2cc(C#N)ccc2F)C2CC2)CC1 ZINC001714675473 1419467579 /nfs/dbraw/zinc/46/75/79/1419467579.db2.gz VTNHHIXOXKOEBT-UHFFFAOYSA-N 1 2 343.446 3.358 20 30 EGEDLO CCCN(C(=O)C(C)(C)F)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001714852415 1419565060 /nfs/dbraw/zinc/56/50/60/1419565060.db2.gz IYJKOTGYQQLULE-MRXNPFEDSA-N 1 2 349.425 3.258 20 30 EGEDLO CCCN(C(=O)C(C)(C)F)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001714852415 1419565061 /nfs/dbraw/zinc/56/50/61/1419565061.db2.gz IYJKOTGYQQLULE-MRXNPFEDSA-N 1 2 349.425 3.258 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cnc2c(F)cccc2c1 ZINC001715524767 1420212644 /nfs/dbraw/zinc/21/26/44/1420212644.db2.gz VVBMJCOITUKFHE-UHFFFAOYSA-N 1 2 335.810 3.130 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cnc2c(F)cccc2c1 ZINC001715524767 1420212647 /nfs/dbraw/zinc/21/26/47/1420212647.db2.gz VVBMJCOITUKFHE-UHFFFAOYSA-N 1 2 335.810 3.130 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1sc(CC2CC2)nc1C ZINC001715535505 1420229888 /nfs/dbraw/zinc/22/98/88/1420229888.db2.gz SGFLHVPWGLKMIF-UHFFFAOYSA-N 1 2 341.908 3.160 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1sc(CC2CC2)nc1C ZINC001715535505 1420229890 /nfs/dbraw/zinc/22/98/90/1420229890.db2.gz SGFLHVPWGLKMIF-UHFFFAOYSA-N 1 2 341.908 3.160 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)c1cccc(OC)c1 ZINC001717493622 1421432622 /nfs/dbraw/zinc/43/26/22/1421432622.db2.gz CHCZGTVIMTUUII-CQSZACIVSA-N 1 2 338.879 3.162 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C(C)(C)c1cccc(OC)c1 ZINC001717493622 1421432623 /nfs/dbraw/zinc/43/26/23/1421432623.db2.gz CHCZGTVIMTUUII-CQSZACIVSA-N 1 2 338.879 3.162 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CCC2CC2)C[C@H]1C ZINC001724987830 1425387660 /nfs/dbraw/zinc/38/76/60/1425387660.db2.gz CLHDNXJNWNWSLT-OCCSQVGLSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CCC2CC2)C[C@H]1C ZINC001724987830 1425387664 /nfs/dbraw/zinc/38/76/64/1425387664.db2.gz CLHDNXJNWNWSLT-OCCSQVGLSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)COc1cccc(C(C)C)c1 ZINC001725163703 1425664944 /nfs/dbraw/zinc/66/49/44/1425664944.db2.gz KFHFZCNPOJHXDK-OAHLLOKOSA-N 1 2 338.879 3.378 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)COc1cccc(C(C)C)c1 ZINC001725163703 1425664947 /nfs/dbraw/zinc/66/49/47/1425664947.db2.gz KFHFZCNPOJHXDK-OAHLLOKOSA-N 1 2 338.879 3.378 20 30 EGEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)[C@@H]1CCC(F)(F)C1)C1CC1 ZINC001731876378 1428141557 /nfs/dbraw/zinc/14/15/57/1428141557.db2.gz JYRRFCLWWFBDSH-CQSZACIVSA-N 1 2 347.409 3.074 20 30 EGEDLO N#Cc1ccccc1C[N@H+](CCNC(=O)[C@@H]1CCC(F)(F)C1)C1CC1 ZINC001731876378 1428141560 /nfs/dbraw/zinc/14/15/60/1428141560.db2.gz JYRRFCLWWFBDSH-CQSZACIVSA-N 1 2 347.409 3.074 20 30 EGEDLO C[C@@H](C#N)C(=O)N(C)CCC[N@H+](C)Cc1csc(C2CCCC2)n1 ZINC001733770740 1430002582 /nfs/dbraw/zinc/00/25/82/1430002582.db2.gz YZXIXRJLAVCSCZ-AWEZNQCLSA-N 1 2 348.516 3.241 20 30 EGEDLO C[C@@H](C#N)C(=O)N(C)CCC[N@@H+](C)Cc1csc(C2CCCC2)n1 ZINC001733770740 1430002591 /nfs/dbraw/zinc/00/25/91/1430002591.db2.gz YZXIXRJLAVCSCZ-AWEZNQCLSA-N 1 2 348.516 3.241 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)c1ccccc1 ZINC001733924322 1437737279 /nfs/dbraw/zinc/73/72/79/1437737279.db2.gz DVEHPAHBCLLLLI-OAHLLOKOSA-N 1 2 337.261 3.132 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccccc1 ZINC001733924322 1437737280 /nfs/dbraw/zinc/73/72/80/1437737280.db2.gz DVEHPAHBCLLLLI-OAHLLOKOSA-N 1 2 337.261 3.132 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCNC(=O)c1cccc(C)c1C ZINC001752107194 1440141743 /nfs/dbraw/zinc/14/17/43/1440141743.db2.gz WRHXVCZEUUADPT-UHFFFAOYSA-N 1 2 339.277 3.264 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCNC(=O)c1cccc(C)c1C ZINC001752107194 1440141745 /nfs/dbraw/zinc/14/17/45/1440141745.db2.gz WRHXVCZEUUADPT-UHFFFAOYSA-N 1 2 339.277 3.264 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1noc(C(C)C)n1 ZINC001752158291 1440147996 /nfs/dbraw/zinc/14/79/96/1440147996.db2.gz MFOUNUKHOKRKOQ-HOTGVXAUSA-N 1 2 348.491 3.409 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC[N@@H+]([C@@H](C)c1nnc(C)s1)C1CC1 ZINC001752267161 1440162915 /nfs/dbraw/zinc/16/29/15/1440162915.db2.gz FAPWJJWPKGKNKW-LBPRGKRZSA-N 1 2 336.505 3.090 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC[N@H+]([C@@H](C)c1nnc(C)s1)C1CC1 ZINC001752267161 1440162916 /nfs/dbraw/zinc/16/29/16/1440162916.db2.gz FAPWJJWPKGKNKW-LBPRGKRZSA-N 1 2 336.505 3.090 20 30 EGEDLO C#CCCCCCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(C)on1 ZINC001752820246 1440219848 /nfs/dbraw/zinc/21/98/48/1440219848.db2.gz KTASGONWVGBPKP-GOSISDBHSA-N 1 2 331.460 3.037 20 30 EGEDLO C#CCCCCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(C)on1 ZINC001752820246 1440219849 /nfs/dbraw/zinc/21/98/49/1440219849.db2.gz KTASGONWVGBPKP-GOSISDBHSA-N 1 2 331.460 3.037 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCC[N@H+](C)Cc1nc2ccc(F)cc2o1 ZINC001753063086 1440284336 /nfs/dbraw/zinc/28/43/36/1440284336.db2.gz HURQLMUDOVTRHO-SFHVURJKSA-N 1 2 333.407 3.117 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCC[N@@H+](C)Cc1nc2ccc(F)cc2o1 ZINC001753063086 1440284337 /nfs/dbraw/zinc/28/43/37/1440284337.db2.gz HURQLMUDOVTRHO-SFHVURJKSA-N 1 2 333.407 3.117 20 30 EGEDLO CC[N@H+](CCNC(=O)C[C@H]1CCC[C@H]1C)Cc1cc(F)ccc1C#N ZINC001753082820 1440294767 /nfs/dbraw/zinc/29/47/67/1440294767.db2.gz SDBKAAAEEHAIRN-HZPDHXFCSA-N 1 2 345.462 3.462 20 30 EGEDLO CC[N@@H+](CCNC(=O)C[C@H]1CCC[C@H]1C)Cc1cc(F)ccc1C#N ZINC001753082820 1440294768 /nfs/dbraw/zinc/29/47/68/1440294768.db2.gz SDBKAAAEEHAIRN-HZPDHXFCSA-N 1 2 345.462 3.462 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H](C)c1c(F)cccc1F ZINC001753085358 1440295860 /nfs/dbraw/zinc/29/58/60/1440295860.db2.gz BMZMAXRRPIWBTE-GFCCVEGCSA-N 1 2 330.806 3.259 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H](C)c1c(F)cccc1F ZINC001753085358 1440295861 /nfs/dbraw/zinc/29/58/61/1440295861.db2.gz BMZMAXRRPIWBTE-GFCCVEGCSA-N 1 2 330.806 3.259 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@H]1CCC[N@H+]1Cc1nc(C)oc1C ZINC001753102342 1440304818 /nfs/dbraw/zinc/30/48/18/1440304818.db2.gz HWPIWVRQTLNJLB-QGZVFWFLSA-N 1 2 331.460 3.140 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1nc(C)oc1C ZINC001753102342 1440304819 /nfs/dbraw/zinc/30/48/19/1440304819.db2.gz HWPIWVRQTLNJLB-QGZVFWFLSA-N 1 2 331.460 3.140 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cc(F)ccc2F)C1 ZINC001753111434 1440308719 /nfs/dbraw/zinc/30/87/19/1440308719.db2.gz IPCGWPCDPDRKMX-MRXNPFEDSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H]2CCC[N@H+]2Cc2cc(F)ccc2F)C1 ZINC001753111434 1440308720 /nfs/dbraw/zinc/30/87/20/1440308720.db2.gz IPCGWPCDPDRKMX-MRXNPFEDSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC[N@@H+]1Cc1nc2c(o1)CCCC2 ZINC001753111379 1440308844 /nfs/dbraw/zinc/30/88/44/1440308844.db2.gz HRMLROJSAVOSAG-QRWLVFNGSA-N 1 2 345.487 3.236 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC[N@H+]1Cc1nc2c(o1)CCCC2 ZINC001753111379 1440308845 /nfs/dbraw/zinc/30/88/45/1440308845.db2.gz HRMLROJSAVOSAG-QRWLVFNGSA-N 1 2 345.487 3.236 20 30 EGEDLO C#CCCCC(=O)NCC[N@@H+](Cc1cc(F)ccc1Cl)C1CC1 ZINC001753152537 1440328907 /nfs/dbraw/zinc/32/89/07/1440328907.db2.gz AKXFOZOKINXVCO-UHFFFAOYSA-N 1 2 336.838 3.363 20 30 EGEDLO C#CCCCC(=O)NCC[N@H+](Cc1cc(F)ccc1Cl)C1CC1 ZINC001753152537 1440328908 /nfs/dbraw/zinc/32/89/08/1440328908.db2.gz AKXFOZOKINXVCO-UHFFFAOYSA-N 1 2 336.838 3.363 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1)C1CC1 ZINC001753160984 1440333697 /nfs/dbraw/zinc/33/36/97/1440333697.db2.gz IRHYBSGNFGLMGL-ZWKOTPCHSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1)C1CC1 ZINC001753160984 1440333698 /nfs/dbraw/zinc/33/36/98/1440333698.db2.gz IRHYBSGNFGLMGL-ZWKOTPCHSA-N 1 2 348.874 3.132 20 30 EGEDLO C=CCC(CC=C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)ns1 ZINC001753306988 1440355544 /nfs/dbraw/zinc/35/55/44/1440355544.db2.gz RJPKAUJXBUHQJN-CALCHBBNSA-N 1 2 345.512 3.395 20 30 EGEDLO C=CCC(CC=C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)ns1 ZINC001753306988 1440355545 /nfs/dbraw/zinc/35/55/45/1440355545.db2.gz RJPKAUJXBUHQJN-CALCHBBNSA-N 1 2 345.512 3.395 20 30 EGEDLO C[C@H]1CCC[C@@H]1CC(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001753403065 1440391387 /nfs/dbraw/zinc/39/13/87/1440391387.db2.gz LKOPDBORKDNZIJ-WMLDXEAASA-N 1 2 343.446 3.072 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2csc(CC)n2)C1 ZINC001753441935 1440401972 /nfs/dbraw/zinc/40/19/72/1440401972.db2.gz SANMWSKRTQDAAJ-GOEBONIOSA-N 1 2 335.517 3.341 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2csc(CC)n2)C1 ZINC001753441935 1440401973 /nfs/dbraw/zinc/40/19/73/1440401973.db2.gz SANMWSKRTQDAAJ-GOEBONIOSA-N 1 2 335.517 3.341 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1C[N@H+](C/C=C/c2ccccc2)CCO1 ZINC001753651618 1440456507 /nfs/dbraw/zinc/45/65/07/1440456507.db2.gz QODLYVVCLQNAKI-BLRBJFNZSA-N 1 2 342.483 3.119 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1C[N@@H+](C/C=C/c2ccccc2)CCO1 ZINC001753651618 1440456508 /nfs/dbraw/zinc/45/65/08/1440456508.db2.gz QODLYVVCLQNAKI-BLRBJFNZSA-N 1 2 342.483 3.119 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001753860444 1440511122 /nfs/dbraw/zinc/51/11/22/1440511122.db2.gz XTBAQLKGDFEMPK-BCDXTJNWSA-N 1 2 339.483 3.275 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001753860444 1440511123 /nfs/dbraw/zinc/51/11/23/1440511123.db2.gz XTBAQLKGDFEMPK-BCDXTJNWSA-N 1 2 339.483 3.275 20 30 EGEDLO C=C[C@H](C(=O)NC/C=C\C[NH2+][C@H](C)c1ncc(C)o1)c1ccccc1 ZINC001754208721 1440550818 /nfs/dbraw/zinc/55/08/18/1440550818.db2.gz AMRQQRWUJYKSNX-XAHAPAGGSA-N 1 2 339.439 3.276 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H](C)C[N@H+](C)Cc1cc(-c2ccco2)on1 ZINC001754312180 1440573613 /nfs/dbraw/zinc/57/36/13/1440573613.db2.gz XZZWUDSFTCNJBH-CQSZACIVSA-N 1 2 345.443 3.473 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H](C)C[N@@H+](C)Cc1cc(-c2ccco2)on1 ZINC001754312180 1440573614 /nfs/dbraw/zinc/57/36/14/1440573614.db2.gz XZZWUDSFTCNJBH-CQSZACIVSA-N 1 2 345.443 3.473 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CC[N@@H+]1Cc1cnc(-c2ccccc2)o1 ZINC001754484951 1440608283 /nfs/dbraw/zinc/60/82/83/1440608283.db2.gz LPBQQWATOMOXJB-KRWDZBQOSA-N 1 2 339.439 3.388 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CC[N@H+]1Cc1cnc(-c2ccccc2)o1 ZINC001754484951 1440608284 /nfs/dbraw/zinc/60/82/84/1440608284.db2.gz LPBQQWATOMOXJB-KRWDZBQOSA-N 1 2 339.439 3.388 20 30 EGEDLO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1)C(C)(C)C ZINC001754487807 1440609003 /nfs/dbraw/zinc/60/90/03/1440609003.db2.gz PXXHRLWFQSCQCO-BBRMVZONSA-N 1 2 331.435 3.070 20 30 EGEDLO C[C@@H](C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1)C(C)(C)C ZINC001754487807 1440609004 /nfs/dbraw/zinc/60/90/04/1440609004.db2.gz PXXHRLWFQSCQCO-BBRMVZONSA-N 1 2 331.435 3.070 20 30 EGEDLO C=C/C(C)=C\CC(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001754490452 1440610108 /nfs/dbraw/zinc/61/01/08/1440610108.db2.gz PYJFBJMXSQEDSW-ICRRLBEQSA-N 1 2 342.870 3.404 20 30 EGEDLO C=C/C(C)=C\CC(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001754490452 1440610109 /nfs/dbraw/zinc/61/01/09/1440610109.db2.gz PYJFBJMXSQEDSW-ICRRLBEQSA-N 1 2 342.870 3.404 20 30 EGEDLO C=C[C@H](CC)CC(=O)N(C)C1C[NH+](CCOc2cc(C)ccc2C)C1 ZINC001754581918 1440638794 /nfs/dbraw/zinc/63/87/94/1440638794.db2.gz LFZLUCWEWKZCCC-GOSISDBHSA-N 1 2 344.499 3.427 20 30 EGEDLO C=CCC(C)(C)C(=O)N(C)C1C[NH+](CCO[C@@H]2CCCC[C@@H]2C)C1 ZINC001754582981 1440639092 /nfs/dbraw/zinc/63/90/92/1440639092.db2.gz JFJFSGXQAAYPOB-FUHWJXTLSA-N 1 2 336.520 3.327 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@](C)(CNC(=O)CCC2CC2)C1 ZINC001754723636 1440674723 /nfs/dbraw/zinc/67/47/23/1440674723.db2.gz LOXRYABLAYCNFT-MRXNPFEDSA-N 1 2 343.309 3.304 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@](C)(CNC(=O)CCC2CC2)C1 ZINC001754723636 1440674724 /nfs/dbraw/zinc/67/47/24/1440674724.db2.gz LOXRYABLAYCNFT-MRXNPFEDSA-N 1 2 343.309 3.304 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@](C)(CNC(=O)CCC2CC2)C1 ZINC001754723635 1440674861 /nfs/dbraw/zinc/67/48/61/1440674861.db2.gz LOXRYABLAYCNFT-INIZCTEOSA-N 1 2 343.309 3.304 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@](C)(CNC(=O)CCC2CC2)C1 ZINC001754723635 1440674862 /nfs/dbraw/zinc/67/48/62/1440674862.db2.gz LOXRYABLAYCNFT-INIZCTEOSA-N 1 2 343.309 3.304 20 30 EGEDLO C=CCCCC(=O)NCC1([NH2+]Cc2ncc(C(C)(C)C)o2)CCC1 ZINC001754986194 1440722868 /nfs/dbraw/zinc/72/28/68/1440722868.db2.gz WHUDGWSARAFBNI-UHFFFAOYSA-N 1 2 333.476 3.457 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)/C=C(/C)CC ZINC001755192481 1440775207 /nfs/dbraw/zinc/77/52/07/1440775207.db2.gz GLPIQNNKQMWCCQ-FWLQQBITSA-N 1 2 329.282 3.174 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)/C=C(/C)CC ZINC001755192481 1440775208 /nfs/dbraw/zinc/77/52/08/1440775208.db2.gz GLPIQNNKQMWCCQ-FWLQQBITSA-N 1 2 329.282 3.174 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ncc(CC)o1 ZINC001755196816 1440777318 /nfs/dbraw/zinc/77/73/18/1440777318.db2.gz CIQNIYZHHKBAMT-CVEARBPZSA-N 1 2 333.476 3.262 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ncc(CC)o1 ZINC001755196816 1440777319 /nfs/dbraw/zinc/77/73/19/1440777319.db2.gz CIQNIYZHHKBAMT-CVEARBPZSA-N 1 2 333.476 3.262 20 30 EGEDLO C[C@H](CNC(=O)[C@@H](C)C#N)[N@H+](C)Cc1nc(C2CCCCC2)cs1 ZINC001755293127 1440805188 /nfs/dbraw/zinc/80/51/88/1440805188.db2.gz OKUQAAXPUGOSKK-UONOGXRCSA-N 1 2 348.516 3.287 20 30 EGEDLO C[C@H](CNC(=O)[C@@H](C)C#N)[N@@H+](C)Cc1nc(C2CCCCC2)cs1 ZINC001755293127 1440805189 /nfs/dbraw/zinc/80/51/89/1440805189.db2.gz OKUQAAXPUGOSKK-UONOGXRCSA-N 1 2 348.516 3.287 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H]2CCCCC[N@@H+]2Cc2nccs2)C1 ZINC001755369078 1440836605 /nfs/dbraw/zinc/83/66/05/1440836605.db2.gz TVGNALAVLKQODF-HNNXBMFYSA-N 1 2 333.501 3.360 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H]2CCCCC[N@H+]2Cc2nccs2)C1 ZINC001755369078 1440836606 /nfs/dbraw/zinc/83/66/06/1440836606.db2.gz TVGNALAVLKQODF-HNNXBMFYSA-N 1 2 333.501 3.360 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H](C)C1C[NH+](Cc2nc(C)c(C)s2)C1 ZINC001755376468 1440838331 /nfs/dbraw/zinc/83/83/31/1440838331.db2.gz DSFZYFPMNJUNDS-AWEZNQCLSA-N 1 2 347.528 3.465 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2F)[C@@H]1C ZINC001755718217 1440906055 /nfs/dbraw/zinc/90/60/55/1440906055.db2.gz KRXAYAKRLPNSAP-KDOFPFPSSA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2F)[C@@H]1C ZINC001755718217 1440906056 /nfs/dbraw/zinc/90/60/56/1440906056.db2.gz KRXAYAKRLPNSAP-KDOFPFPSSA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)[C@@H]1C ZINC001755719212 1440906627 /nfs/dbraw/zinc/90/66/27/1440906627.db2.gz VYHLVSZUAFULOY-RHSMWYFYSA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)[C@@H]1C ZINC001755719212 1440906628 /nfs/dbraw/zinc/90/66/28/1440906628.db2.gz VYHLVSZUAFULOY-RHSMWYFYSA-N 1 2 334.410 3.093 20 30 EGEDLO C=CCC[C@@H](C)[NH2+]C[C@H](NC(=O)c1ccc2nc[nH]c2n1)C(C)(C)C ZINC001755826786 1440927500 /nfs/dbraw/zinc/92/75/00/1440927500.db2.gz XURYGWUXUOQOBX-CJNGLKHVSA-N 1 2 343.475 3.047 20 30 EGEDLO N#Cc1c(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cn2ccccc12 ZINC000179517726 233128485 /nfs/dbraw/zinc/12/84/85/233128485.db2.gz SFMGVDUFGDXUGE-HNNXBMFYSA-N 1 2 346.438 3.186 20 30 EGEDLO N#Cc1c(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cn2ccccc12 ZINC000179517726 233128487 /nfs/dbraw/zinc/12/84/87/233128487.db2.gz SFMGVDUFGDXUGE-HNNXBMFYSA-N 1 2 346.438 3.186 20 30 EGEDLO CC1CC[NH+](Cc2csc(NC(=O)c3cccc(C#N)c3)n2)CC1 ZINC000036652206 213107868 /nfs/dbraw/zinc/10/78/68/213107868.db2.gz XBWCDWKAKDYGRY-UHFFFAOYSA-N 1 2 340.452 3.499 20 30 EGEDLO Cn1cc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1C#N ZINC000191383134 239079311 /nfs/dbraw/zinc/07/93/11/239079311.db2.gz NNPVLDFUFARKLR-UHFFFAOYSA-N 1 2 325.256 3.213 20 30 EGEDLO Cn1cc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1C#N ZINC000191383134 239079318 /nfs/dbraw/zinc/07/93/18/239079318.db2.gz NNPVLDFUFARKLR-UHFFFAOYSA-N 1 2 325.256 3.213 20 30 EGEDLO C[C@H](c1cccc(NC(=O)c2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000264216482 246194645 /nfs/dbraw/zinc/19/46/45/246194645.db2.gz JZNOTFZLYNJTGL-OAHLLOKOSA-N 1 2 335.407 3.204 20 30 EGEDLO CCc1nc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)cs1 ZINC000265207549 247299140 /nfs/dbraw/zinc/29/91/40/247299140.db2.gz QUYQUMDYOPVADE-DOMZBBRYSA-N 1 2 340.452 3.033 20 30 EGEDLO C=CC[N@H+](CCc1ccc2ccccc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000265254774 247343490 /nfs/dbraw/zinc/34/34/90/247343490.db2.gz UIFOQORWFWLZKL-LJQANCHMSA-N 1 2 329.465 3.057 20 30 EGEDLO C=CC[N@@H+](CCc1ccc2ccccc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000265254774 247343496 /nfs/dbraw/zinc/34/34/96/247343496.db2.gz UIFOQORWFWLZKL-LJQANCHMSA-N 1 2 329.465 3.057 20 30 EGEDLO C=CCCS(=O)(=O)N1CCC(n2c(CC)[nH+]c3ccccc32)CC1 ZINC000093026601 218188201 /nfs/dbraw/zinc/18/82/01/218188201.db2.gz GMNHZUWSEOQGOR-UHFFFAOYSA-N 1 2 347.484 3.142 20 30 EGEDLO COCC[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccco1 ZINC000347991041 141229637 /nfs/dbraw/zinc/22/96/37/141229637.db2.gz FZVWWAMYGDZGMS-HNNXBMFYSA-N 1 2 338.367 3.069 20 30 EGEDLO C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000353007319 141284285 /nfs/dbraw/zinc/28/42/85/141284285.db2.gz KCCXYPURGNPFGE-CYBMUJFWSA-N 1 2 348.418 3.271 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+]2CCc3c(C)cc(C)cc3C2)c(C#N)c1C ZINC000186738217 144142659 /nfs/dbraw/zinc/14/26/59/144142659.db2.gz OKUSISQRXGPEDO-UHFFFAOYSA-N 1 2 337.423 3.382 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+]2CCc3c(C)cc(C)cc3C2)c(C#N)c1C ZINC000186738217 144142661 /nfs/dbraw/zinc/14/26/61/144142661.db2.gz OKUSISQRXGPEDO-UHFFFAOYSA-N 1 2 337.423 3.382 20 30 EGEDLO C[N@H+](Cc1nc(Cc2cccc(F)c2)no1)Cc1cccc(C#N)c1 ZINC000351076596 144254717 /nfs/dbraw/zinc/25/47/17/144254717.db2.gz AEQREQOOUQZXQM-UHFFFAOYSA-N 1 2 336.370 3.303 20 30 EGEDLO C[N@@H+](Cc1nc(Cc2cccc(F)c2)no1)Cc1cccc(C#N)c1 ZINC000351076596 144254719 /nfs/dbraw/zinc/25/47/19/144254719.db2.gz AEQREQOOUQZXQM-UHFFFAOYSA-N 1 2 336.370 3.303 20 30 EGEDLO N#Cc1ccc(Oc2ccc(NC(=O)NCc3[nH]cc[nH+]3)cc2)cc1 ZINC000120279434 152264041 /nfs/dbraw/zinc/26/40/41/152264041.db2.gz OJTXTKCTWKLYAR-UHFFFAOYSA-N 1 2 333.351 3.395 20 30 EGEDLO C[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)C[C@H](c2ccsc2)O1 ZINC000120898616 152307593 /nfs/dbraw/zinc/30/75/93/152307593.db2.gz JICWARXBAKKIKJ-RDTXWAMCSA-N 1 2 328.437 3.461 20 30 EGEDLO C[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)C[C@H](c2ccsc2)O1 ZINC000120898616 152307598 /nfs/dbraw/zinc/30/75/98/152307598.db2.gz JICWARXBAKKIKJ-RDTXWAMCSA-N 1 2 328.437 3.461 20 30 EGEDLO COc1ccccc1[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccccn1 ZINC000191498359 153201269 /nfs/dbraw/zinc/20/12/69/153201269.db2.gz LVYMQNFTNLJUHH-HXUWFJFHSA-N 1 2 332.407 3.180 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccs3)CC2)cc1F ZINC000192022497 153236670 /nfs/dbraw/zinc/23/66/70/153236670.db2.gz GLUBWYONMCTEGQ-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccs3)CC2)cc1F ZINC000192022497 153236674 /nfs/dbraw/zinc/23/66/74/153236674.db2.gz GLUBWYONMCTEGQ-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccccc1F ZINC000301505170 154024330 /nfs/dbraw/zinc/02/43/30/154024330.db2.gz CNYKXZHBENKJBR-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccccc1F ZINC000301505170 154024335 /nfs/dbraw/zinc/02/43/35/154024335.db2.gz CNYKXZHBENKJBR-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO CCc1[nH+]c2cc(CNC(=O)c3cnccc3C#N)ccc2n1C1CC1 ZINC000345444276 156109016 /nfs/dbraw/zinc/10/90/16/156109016.db2.gz XDXRCNZOGXPEPJ-UHFFFAOYSA-N 1 2 345.406 3.130 20 30 EGEDLO COc1ccc(CNc2ccccc2OCCn2cc[nH+]c2)cc1C#N ZINC000122657817 162251266 /nfs/dbraw/zinc/25/12/66/162251266.db2.gz FUMDSUDGJWUAEN-UHFFFAOYSA-N 1 2 348.406 3.454 20 30 EGEDLO CC[C@@]1(C)C[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CCO1 ZINC000248877700 163041805 /nfs/dbraw/zinc/04/18/05/163041805.db2.gz CPNVZRNHNBQOLF-PXAZEXFGSA-N 1 2 335.835 3.040 20 30 EGEDLO CC[C@@]1(C)C[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CCO1 ZINC000248877700 163041807 /nfs/dbraw/zinc/04/18/07/163041807.db2.gz CPNVZRNHNBQOLF-PXAZEXFGSA-N 1 2 335.835 3.040 20 30 EGEDLO Cc1[nH]c2ccc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)cc2[nH+]1 ZINC000338669907 163312873 /nfs/dbraw/zinc/31/28/73/163312873.db2.gz WKGYXQURJVQVTM-UHFFFAOYSA-N 1 2 345.284 3.409 20 30 EGEDLO Cc1[nH]c2cc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)ccc2[nH+]1 ZINC000338669907 163312878 /nfs/dbraw/zinc/31/28/78/163312878.db2.gz WKGYXQURJVQVTM-UHFFFAOYSA-N 1 2 345.284 3.409 20 30 EGEDLO N#Cc1ccnc(N2CC[NH+](Cc3cccc(F)c3Cl)CC2)c1 ZINC000338905637 163381516 /nfs/dbraw/zinc/38/15/16/163381516.db2.gz AOSQZFROXHTEBK-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO N#Cc1c(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)cn2ccccc12 ZINC000345943595 164301032 /nfs/dbraw/zinc/30/10/32/164301032.db2.gz REJIDRJJOKXPGT-LJQANCHMSA-N 1 2 331.419 3.254 20 30 EGEDLO N#Cc1c(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)cn2ccccc12 ZINC000345943595 164301035 /nfs/dbraw/zinc/30/10/35/164301035.db2.gz REJIDRJJOKXPGT-LJQANCHMSA-N 1 2 331.419 3.254 20 30 EGEDLO N#Cc1cccc(C2(C(=O)NCc3ccccc3-n3cc[nH+]c3)CC2)c1 ZINC000359104346 167067328 /nfs/dbraw/zinc/06/73/28/167067328.db2.gz IDBVMIFGCFEUEN-UHFFFAOYSA-N 1 2 342.402 3.092 20 30 EGEDLO C[C@H](C(=O)NCc1cn2cc(Cl)ccc2[nH+]1)c1cccc(C#N)c1 ZINC000359898735 167261659 /nfs/dbraw/zinc/26/16/59/167261659.db2.gz MREVRNSFMWAPAD-LBPRGKRZSA-N 1 2 338.798 3.279 20 30 EGEDLO C[C@H](C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1)c1cccc(C#N)c1 ZINC000360780704 167411644 /nfs/dbraw/zinc/41/16/44/167411644.db2.gz LBUWSZLDUJPSIY-AWEZNQCLSA-N 1 2 330.391 3.368 20 30 EGEDLO N#Cc1ccccc1Oc1ccccc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000365808685 168045286 /nfs/dbraw/zinc/04/52/86/168045286.db2.gz WEZFHDPVPZVMEE-UHFFFAOYSA-N 1 2 344.374 3.203 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H]2Cc2ccccc2)c(C#N)c1C ZINC000533346083 270060708 /nfs/dbraw/zinc/06/07/08/270060708.db2.gz XCDPEZNSLPHYJG-MRXNPFEDSA-N 1 2 339.464 3.492 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H]2Cc2ccccc2)c(C#N)c1C ZINC000533346083 270060709 /nfs/dbraw/zinc/06/07/09/270060709.db2.gz XCDPEZNSLPHYJG-MRXNPFEDSA-N 1 2 339.464 3.492 20 30 EGEDLO C[NH+](C)[C@H](CNc1nc2ccccn2c1C#N)c1c(F)cccc1F ZINC000302095402 266512413 /nfs/dbraw/zinc/51/24/13/266512413.db2.gz NWENZUMGHBAIHC-OAHLLOKOSA-N 1 2 341.365 3.199 20 30 EGEDLO CCCC[N@H+](Cc1ccc(C#N)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000439441307 267005377 /nfs/dbraw/zinc/00/53/77/267005377.db2.gz PZHUQAYJEKBTRA-HNNXBMFYSA-N 1 2 340.876 3.001 20 30 EGEDLO CCCC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000439441307 267005379 /nfs/dbraw/zinc/00/53/79/267005379.db2.gz PZHUQAYJEKBTRA-HNNXBMFYSA-N 1 2 340.876 3.001 20 30 EGEDLO CCCCOC1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000426429230 267010734 /nfs/dbraw/zinc/01/07/34/267010734.db2.gz WLKKFAPHQBBRGT-UHFFFAOYSA-N 1 2 349.500 3.456 20 30 EGEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc(C)cc1 ZINC000530905429 267065524 /nfs/dbraw/zinc/06/55/24/267065524.db2.gz JFIDAGWDDWNBOH-UHFFFAOYSA-N 1 2 342.464 3.163 20 30 EGEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc(C)cc1 ZINC000530905429 267065527 /nfs/dbraw/zinc/06/55/27/267065527.db2.gz JFIDAGWDDWNBOH-UHFFFAOYSA-N 1 2 342.464 3.163 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000289028164 267140959 /nfs/dbraw/zinc/14/09/59/267140959.db2.gz ATSDQRHBASJLDM-OAHLLOKOSA-N 1 2 332.407 3.070 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC=C(c2cccnc2)C1 ZINC000289028164 267140963 /nfs/dbraw/zinc/14/09/63/267140963.db2.gz ATSDQRHBASJLDM-OAHLLOKOSA-N 1 2 332.407 3.070 20 30 EGEDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000299062062 267207644 /nfs/dbraw/zinc/20/76/44/267207644.db2.gz NVFZTXSGEXGRBC-CYBMUJFWSA-N 1 2 328.366 3.115 20 30 EGEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000298190808 267208463 /nfs/dbraw/zinc/20/84/63/267208463.db2.gz CCHWRAWGMOJPIU-CQSZACIVSA-N 1 2 328.437 3.155 20 30 EGEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000298190808 267208465 /nfs/dbraw/zinc/20/84/65/267208465.db2.gz CCHWRAWGMOJPIU-CQSZACIVSA-N 1 2 328.437 3.155 20 30 EGEDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000492412213 267258024 /nfs/dbraw/zinc/25/80/24/267258024.db2.gz VHIBUQDVQDIZCX-WAYWQWQTSA-N 1 2 332.310 3.028 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000275606809 267390353 /nfs/dbraw/zinc/39/03/53/267390353.db2.gz LHIAPWCOUWBIHN-CQSZACIVSA-N 1 2 328.437 3.155 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000275606809 267390356 /nfs/dbraw/zinc/39/03/56/267390356.db2.gz LHIAPWCOUWBIHN-CQSZACIVSA-N 1 2 328.437 3.155 20 30 EGEDLO N#Cc1cc(Br)ccc1CN1CCC(n2cc[nH+]c2)CC1 ZINC000287568238 267970188 /nfs/dbraw/zinc/97/01/88/267970188.db2.gz BPGOSTRWNZVQEJ-UHFFFAOYSA-N 1 2 345.244 3.354 20 30 EGEDLO Cc1cc(F)c(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c(Cl)c1 ZINC000459309936 268002562 /nfs/dbraw/zinc/00/25/62/268002562.db2.gz LRRSTDBVIKHFCE-UHFFFAOYSA-N 1 2 344.821 3.376 20 30 EGEDLO Cc1cc(S(=O)(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)ccc1C#N ZINC000446819644 268017948 /nfs/dbraw/zinc/01/79/48/268017948.db2.gz UQNWUBQKRBOPDK-UHFFFAOYSA-N 1 2 338.392 3.058 20 30 EGEDLO N#Cc1cc([N+](=O)[O-])ccc1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000298727026 268021955 /nfs/dbraw/zinc/02/19/55/268021955.db2.gz QIKSFAFHAWPEHY-UHFFFAOYSA-N 1 2 337.383 3.464 20 30 EGEDLO Cc1cccc2c1C[N@@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)CC2 ZINC000429560540 268058601 /nfs/dbraw/zinc/05/86/01/268058601.db2.gz NRUNAYBKJVHCML-QGZVFWFLSA-N 1 2 337.448 3.092 20 30 EGEDLO Cc1cccc2c1C[N@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)CC2 ZINC000429560540 268058604 /nfs/dbraw/zinc/05/86/04/268058604.db2.gz NRUNAYBKJVHCML-QGZVFWFLSA-N 1 2 337.448 3.092 20 30 EGEDLO Cc1c[nH]c(C(C)(C)NC(=O)c2cccc(C#N)c2Br)[nH+]1 ZINC000519598765 268070258 /nfs/dbraw/zinc/07/02/58/268070258.db2.gz CDRKNAUHEYFIRF-UHFFFAOYSA-N 1 2 347.216 3.017 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)cc1 ZINC000185328574 268141196 /nfs/dbraw/zinc/14/11/96/268141196.db2.gz LSBIJFOUGQOWBI-AWEZNQCLSA-N 1 2 341.361 3.264 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)cc1 ZINC000185328574 268141198 /nfs/dbraw/zinc/14/11/98/268141198.db2.gz LSBIJFOUGQOWBI-AWEZNQCLSA-N 1 2 341.361 3.264 20 30 EGEDLO N#Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1F ZINC000290234580 268147772 /nfs/dbraw/zinc/14/77/72/268147772.db2.gz RZNWUEVMCRJCFN-UHFFFAOYSA-N 1 2 339.374 3.014 20 30 EGEDLO N#Cc1ccc(NC[C@H](c2cccc(F)c2)[NH+]2CCOCC2)cc1 ZINC000301103505 268156555 /nfs/dbraw/zinc/15/65/55/268156555.db2.gz IVYATTHUWZYMEV-LJQANCHMSA-N 1 2 325.387 3.183 20 30 EGEDLO N#Cc1cc(N2CCC[C@H]2c2[nH]cc[nH+]2)nc2ccc([N+](=O)[O-])cc12 ZINC000443499244 268184763 /nfs/dbraw/zinc/18/47/63/268184763.db2.gz KAJSSYGRXTVNBF-HNNXBMFYSA-N 1 2 334.339 3.079 20 30 EGEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccnc(Cl)c3Cl)C2)nc1 ZINC000292684032 268185988 /nfs/dbraw/zinc/18/59/88/268185988.db2.gz AWJAIHPFVSFHLM-ZDUSSCGKSA-N 1 2 349.221 3.308 20 30 EGEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccnc(Cl)c3Cl)C2)nc1 ZINC000292684032 268185991 /nfs/dbraw/zinc/18/59/91/268185991.db2.gz AWJAIHPFVSFHLM-ZDUSSCGKSA-N 1 2 349.221 3.308 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(O)cc(F)c3)CC2)c(Cl)c1 ZINC000446916352 268234345 /nfs/dbraw/zinc/23/43/45/268234345.db2.gz LLAKCYLUAOOQQM-UHFFFAOYSA-N 1 2 345.805 3.379 20 30 EGEDLO N#Cc1cccc(C#N)c1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000302779356 268234728 /nfs/dbraw/zinc/23/47/28/268234728.db2.gz QRCHFVTZFGLENN-UHFFFAOYSA-N 1 2 336.826 3.406 20 30 EGEDLO N#Cc1cccc(NC(=O)C2CCN(c3[nH]c4ccccc4[nH+]3)CC2)c1 ZINC000270606957 268264666 /nfs/dbraw/zinc/26/46/66/268264666.db2.gz XHURZZLOZMXIGV-UHFFFAOYSA-N 1 2 345.406 3.290 20 30 EGEDLO N#Cc1ccnc(N2CC[NH+](Cc3cc(F)cc(Cl)c3)CC2)c1 ZINC000274973691 268293228 /nfs/dbraw/zinc/29/32/28/268293228.db2.gz ARKSAIJXVIULDL-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)N(C)Cc1cccc(C#N)c1 ZINC000046887630 275139254 /nfs/dbraw/zinc/13/92/54/275139254.db2.gz LAPJQBDRYMRIPO-UHFFFAOYSA-N 1 2 347.422 3.058 20 30 EGEDLO N#Cc1cccc(-c2cc(C(=O)N3CCCC[C@@H]3c3[nH]cc[nH+]3)on2)c1 ZINC000279244493 275315756 /nfs/dbraw/zinc/31/57/56/275315756.db2.gz ONONSAIVTVJAIC-MRXNPFEDSA-N 1 2 347.378 3.304 20 30 EGEDLO CC(C)Oc1cc[nH+]cc1COC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000286814493 276046091 /nfs/dbraw/zinc/04/60/91/276046091.db2.gz BSHDHDPZBITJGN-CQSZACIVSA-N 1 2 340.379 3.251 20 30 EGEDLO CCN(C(=O)/C=C/c1[nH+]ccn1CC)c1ccc(C#N)c(Cl)c1 ZINC000492461094 311253658 /nfs/dbraw/zinc/25/36/58/311253658.db2.gz RHXRTOTWOZLVCY-BQYQJAHWSA-N 1 2 328.803 3.494 20 30 EGEDLO Cc1cc(N2CCC(N(C)C(=O)OC(C)(C)C)CC2)c(C#N)c[nH+]1 ZINC000496803890 311767657 /nfs/dbraw/zinc/76/76/57/311767657.db2.gz NYWZJHUECJDABN-UHFFFAOYSA-N 1 2 330.432 3.097 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)s1 ZINC000046171344 454225109 /nfs/dbraw/zinc/22/51/09/454225109.db2.gz QDMKXSVSSQUPRI-ABAIWWIYSA-N 1 2 327.881 3.276 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000046171344 454225111 /nfs/dbraw/zinc/22/51/11/454225111.db2.gz QDMKXSVSSQUPRI-ABAIWWIYSA-N 1 2 327.881 3.276 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cnc(C4CC4)s3)CC2)cc1 ZINC000535068285 314022349 /nfs/dbraw/zinc/02/23/49/314022349.db2.gz CWAZXKRDWWFWSA-UHFFFAOYSA-N 1 2 338.480 3.210 20 30 EGEDLO N#Cc1ccc(CN2CC[NH+](Cc3cnc(C4CC4)s3)CC2)cc1 ZINC000535068285 314022354 /nfs/dbraw/zinc/02/23/54/314022354.db2.gz CWAZXKRDWWFWSA-UHFFFAOYSA-N 1 2 338.480 3.210 20 30 EGEDLO COC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(F)cc2F)c1C#N ZINC000539290829 314304788 /nfs/dbraw/zinc/30/47/88/314304788.db2.gz LNDSLHWJQJJYIW-LLVKDONJSA-N 1 2 330.334 3.474 20 30 EGEDLO Cc1ccc(-c2noc(-c3ncc(C#N)cc3C)n2)c(N2CCCC2)[nH+]1 ZINC000551354519 315151402 /nfs/dbraw/zinc/15/14/02/315151402.db2.gz YFQBZGSFFRNFBB-UHFFFAOYSA-N 1 2 346.394 3.282 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3cccnc3)o2)c1 ZINC000553886605 315287332 /nfs/dbraw/zinc/28/73/32/315287332.db2.gz OCIHBSTUWAOFIL-KRWDZBQOSA-N 1 2 331.379 3.340 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H]3c3cccnc3)o2)c1 ZINC000553886605 315287335 /nfs/dbraw/zinc/28/73/35/315287335.db2.gz OCIHBSTUWAOFIL-KRWDZBQOSA-N 1 2 331.379 3.340 20 30 EGEDLO N#Cc1cnc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCCC2)nc1 ZINC000565294094 316305285 /nfs/dbraw/zinc/30/52/85/316305285.db2.gz NXUJCRVEUHKQSP-LJQANCHMSA-N 1 2 336.439 3.122 20 30 EGEDLO Cn1c2c([nH+]c1[C@H]1CCCN1c1ncc3c(c1C#N)CCC3)CCCC2 ZINC000571635859 317226947 /nfs/dbraw/zinc/22/69/47/317226947.db2.gz VIMIYCQAJMZUPS-LJQANCHMSA-N 1 2 347.466 3.396 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)c2ccccc2Br)C1=O ZINC000337128285 456328358 /nfs/dbraw/zinc/32/83/58/456328358.db2.gz HOFSTIRIYINFIO-SWLSCSKDSA-N 1 2 337.261 3.229 20 30 EGEDLO COCCOc1ccc(C#N)cc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000184322383 323652971 /nfs/dbraw/zinc/65/29/71/323652971.db2.gz ZIFXUBJJNYWCDQ-UHFFFAOYSA-N 1 2 348.406 3.381 20 30 EGEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000578490234 324976749 /nfs/dbraw/zinc/97/67/49/324976749.db2.gz QRQDXCVHTRURSN-YOEHRIQHSA-N 1 2 337.427 3.382 20 30 EGEDLO Cc1nsc(Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)c1C#N ZINC000583343408 325515892 /nfs/dbraw/zinc/51/58/92/325515892.db2.gz VZEOMMLCLRDPNH-QWRGUYRKSA-N 1 2 329.429 3.075 20 30 EGEDLO OC[C@@H]1C[N@H+](Cc2cc(F)c(C(F)(F)F)cc2F)CCC1(F)F ZINC000361406002 457720250 /nfs/dbraw/zinc/72/02/50/457720250.db2.gz ZHIVGUQIOGJGSZ-VIFPVBQESA-N 1 2 345.258 3.433 20 30 EGEDLO OC[C@@H]1C[N@@H+](Cc2cc(F)c(C(F)(F)F)cc2F)CCC1(F)F ZINC000361406002 457720253 /nfs/dbraw/zinc/72/02/53/457720253.db2.gz ZHIVGUQIOGJGSZ-VIFPVBQESA-N 1 2 345.258 3.433 20 30 EGEDLO C=CCn1cc(C[NH2+][C@H](C)c2cc(Br)ccc2F)nn1 ZINC000424292105 458606093 /nfs/dbraw/zinc/60/60/93/458606093.db2.gz GDBFZNAMQIWXKT-SNVBAGLBSA-N 1 2 339.212 3.217 20 30 EGEDLO Cc1cccn2cc(CCNC(=O)c3ccc(C#N)c(Cl)c3)[nH+]c12 ZINC000157864428 455241464 /nfs/dbraw/zinc/24/14/64/455241464.db2.gz PVEKIRHLJMYSHM-UHFFFAOYSA-N 1 2 338.798 3.140 20 30 EGEDLO CC(C)[N@H+](CCC#N)Cc1cc2c(c(Br)c1)OCO2 ZINC000535073218 459354093 /nfs/dbraw/zinc/35/40/93/459354093.db2.gz ZULHFRQUOHHXCC-UHFFFAOYSA-N 1 2 325.206 3.302 20 30 EGEDLO CC(C)[N@@H+](CCC#N)Cc1cc2c(c(Br)c1)OCO2 ZINC000535073218 459354096 /nfs/dbraw/zinc/35/40/96/459354096.db2.gz ZULHFRQUOHHXCC-UHFFFAOYSA-N 1 2 325.206 3.302 20 30 EGEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000158161068 455275632 /nfs/dbraw/zinc/27/56/32/455275632.db2.gz MMSKSKUNVONMPK-HNNXBMFYSA-N 1 2 345.439 3.274 20 30 EGEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000158161068 455275635 /nfs/dbraw/zinc/27/56/35/455275635.db2.gz MMSKSKUNVONMPK-HNNXBMFYSA-N 1 2 345.439 3.274 20 30 EGEDLO C[C@]1(C#N)CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000612166331 460558820 /nfs/dbraw/zinc/55/88/20/460558820.db2.gz CCGWJYVEYNBYQE-XJKSGUPXSA-N 1 2 343.254 3.359 20 30 EGEDLO C[C@]1(C#N)CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000612166331 460558823 /nfs/dbraw/zinc/55/88/23/460558823.db2.gz CCGWJYVEYNBYQE-XJKSGUPXSA-N 1 2 343.254 3.359 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1cc(C(C)(C)C)nn1C)Cc1ccccc1 ZINC000159051039 455348163 /nfs/dbraw/zinc/34/81/63/455348163.db2.gz LIRWGOUPNMLTEG-UHFFFAOYSA-N 1 2 340.471 3.344 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1cc(C(C)(C)C)nn1C)Cc1ccccc1 ZINC000159051039 455348167 /nfs/dbraw/zinc/34/81/67/455348167.db2.gz LIRWGOUPNMLTEG-UHFFFAOYSA-N 1 2 340.471 3.344 20 30 EGEDLO N#CCC[C@H](C#N)C[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000600761526 460593681 /nfs/dbraw/zinc/59/36/81/460593681.db2.gz ROWYCYVDDALWKO-IAQYHMDHSA-N 1 2 326.227 3.450 20 30 EGEDLO C=CC[N@H+](CC(=O)NC(=O)Nc1ccccc1)Cc1cccs1 ZINC000015519185 453575155 /nfs/dbraw/zinc/57/51/55/453575155.db2.gz XQPOKFKWAKOCTM-UHFFFAOYSA-N 1 2 329.425 3.084 20 30 EGEDLO C=CC[N@@H+](CC(=O)NC(=O)Nc1ccccc1)Cc1cccs1 ZINC000015519185 453575159 /nfs/dbraw/zinc/57/51/59/453575159.db2.gz XQPOKFKWAKOCTM-UHFFFAOYSA-N 1 2 329.425 3.084 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1cccc(NC(C)=O)c1)Cc1cccs1 ZINC000016395455 453604367 /nfs/dbraw/zinc/60/43/67/453604367.db2.gz DYMPQJSAMLBKDR-UHFFFAOYSA-N 1 2 343.452 3.333 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1cccc(NC(C)=O)c1)Cc1cccs1 ZINC000016395455 453604370 /nfs/dbraw/zinc/60/43/70/453604370.db2.gz DYMPQJSAMLBKDR-UHFFFAOYSA-N 1 2 343.452 3.333 20 30 EGEDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000017843392 453639602 /nfs/dbraw/zinc/63/96/02/453639602.db2.gz MFAMOJXJAZJVKI-UHFFFAOYSA-N 1 2 333.435 3.133 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1ccc(F)cc1F ZINC000024950937 453752262 /nfs/dbraw/zinc/75/22/62/453752262.db2.gz BQSCQTJEOWJPTL-GFCCVEGCSA-N 1 2 329.350 3.295 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1ccc(F)cc1F ZINC000024950937 453752265 /nfs/dbraw/zinc/75/22/65/453752265.db2.gz BQSCQTJEOWJPTL-GFCCVEGCSA-N 1 2 329.350 3.295 20 30 EGEDLO CN(C(=O)C[N@H+](C)Cc1ccc(F)cc1F)C1(C#N)CCCCC1 ZINC000024960316 453752721 /nfs/dbraw/zinc/75/27/21/453752721.db2.gz FYQQTNFPBFTYIH-UHFFFAOYSA-N 1 2 335.398 3.081 20 30 EGEDLO CN(C(=O)C[N@@H+](C)Cc1ccc(F)cc1F)C1(C#N)CCCCC1 ZINC000024960316 453752722 /nfs/dbraw/zinc/75/27/22/453752722.db2.gz FYQQTNFPBFTYIH-UHFFFAOYSA-N 1 2 335.398 3.081 20 30 EGEDLO C[N@H+](Cc1ccc(F)cc1F)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000025067818 453757184 /nfs/dbraw/zinc/75/71/84/453757184.db2.gz LLXPFVOVXZHQRP-GOSISDBHSA-N 1 2 341.361 3.074 20 30 EGEDLO C[N@@H+](Cc1ccc(F)cc1F)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000025067818 453757187 /nfs/dbraw/zinc/75/71/87/453757187.db2.gz LLXPFVOVXZHQRP-GOSISDBHSA-N 1 2 341.361 3.074 20 30 EGEDLO CCOc1ccc(CN2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000027568152 453818825 /nfs/dbraw/zinc/81/88/25/453818825.db2.gz VLGKAUIKPSUMCP-UHFFFAOYSA-N 1 2 335.451 3.275 20 30 EGEDLO C#CC[N@@H+](CC(=O)Nc1sccc1C#N)[C@@H]1CCc2ccccc21 ZINC000052845764 453846974 /nfs/dbraw/zinc/84/69/74/453846974.db2.gz ZQMKHSWJRJHLMQ-QGZVFWFLSA-N 1 2 335.432 3.181 20 30 EGEDLO C#CC[N@H+](CC(=O)Nc1sccc1C#N)[C@@H]1CCc2ccccc21 ZINC000052845764 453846977 /nfs/dbraw/zinc/84/69/77/453846977.db2.gz ZQMKHSWJRJHLMQ-QGZVFWFLSA-N 1 2 335.432 3.181 20 30 EGEDLO Cc1ncsc1C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000066565357 453851909 /nfs/dbraw/zinc/85/19/09/453851909.db2.gz OPBPEOYAQJSXKY-HNNXBMFYSA-N 1 2 342.468 3.219 20 30 EGEDLO Cc1ncsc1C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000066565357 453851911 /nfs/dbraw/zinc/85/19/11/453851911.db2.gz OPBPEOYAQJSXKY-HNNXBMFYSA-N 1 2 342.468 3.219 20 30 EGEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000081512565 453879662 /nfs/dbraw/zinc/87/96/62/453879662.db2.gz DEQWIRTWANWXAJ-QGZVFWFLSA-N 1 2 346.477 3.231 20 30 EGEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000081512565 453879665 /nfs/dbraw/zinc/87/96/65/453879665.db2.gz DEQWIRTWANWXAJ-QGZVFWFLSA-N 1 2 346.477 3.231 20 30 EGEDLO C=C(C)CN(CC)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000054008506 453905089 /nfs/dbraw/zinc/90/50/89/453905089.db2.gz SYOXFFYRIHKSLW-INIZCTEOSA-N 1 2 330.407 3.256 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000184506854 455392782 /nfs/dbraw/zinc/39/27/82/455392782.db2.gz KZRLRWZJWUXTRF-QWHCGFSZSA-N 1 2 336.505 3.099 20 30 EGEDLO CC1(C)CN(C(=O)c2cc(C#N)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000084188075 453976339 /nfs/dbraw/zinc/97/63/39/453976339.db2.gz MXGVCAQMIOFCNE-UHFFFAOYSA-N 1 2 339.464 3.356 20 30 EGEDLO CC1(C)CN(C(=O)c2cc(C#N)cs2)CC[N@H+]1Cc1ccccc1 ZINC000084188075 453976341 /nfs/dbraw/zinc/97/63/41/453976341.db2.gz MXGVCAQMIOFCNE-UHFFFAOYSA-N 1 2 339.464 3.356 20 30 EGEDLO CC(C)C[C@@H](C)CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000067900256 453978909 /nfs/dbraw/zinc/97/89/09/453978909.db2.gz CPJBMSAIFUKUDN-QGZVFWFLSA-N 1 2 327.472 3.275 20 30 EGEDLO C=CC[N@H+](CC(=O)N1CCc2ccccc2C1)Cc1ccccc1F ZINC000056312454 454049815 /nfs/dbraw/zinc/04/98/15/454049815.db2.gz IJBMXWFQAMMDRC-UHFFFAOYSA-N 1 2 338.426 3.399 20 30 EGEDLO C=CC[N@@H+](CC(=O)N1CCc2ccccc2C1)Cc1ccccc1F ZINC000056312454 454049817 /nfs/dbraw/zinc/04/98/17/454049817.db2.gz IJBMXWFQAMMDRC-UHFFFAOYSA-N 1 2 338.426 3.399 20 30 EGEDLO N#Cc1nnc2ccccc2c1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000077188479 454072813 /nfs/dbraw/zinc/07/28/13/454072813.db2.gz IDNGVRAFRYWKOA-UHFFFAOYSA-N 1 2 330.395 3.109 20 30 EGEDLO C=C(Cl)CNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000077274575 454084435 /nfs/dbraw/zinc/08/44/35/454084435.db2.gz SMVNKEYBSQAKFO-KBPBESRZSA-N 1 2 337.851 3.170 20 30 EGEDLO N#CC1CC[NH+](CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000057874745 454153747 /nfs/dbraw/zinc/15/37/47/454153747.db2.gz MYHHFFHONFLWJI-FQEVSTJZSA-N 1 2 343.446 3.409 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(C#N)CC1 ZINC000057907767 454156380 /nfs/dbraw/zinc/15/63/80/454156380.db2.gz VWQYIGPEQGXOIS-NSHDSACASA-N 1 2 336.233 3.012 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)c(F)c1 ZINC000058579157 454217487 /nfs/dbraw/zinc/21/74/87/454217487.db2.gz BXJFSNLAZVLVBF-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)c(F)c1 ZINC000058579157 454217491 /nfs/dbraw/zinc/21/74/91/454217491.db2.gz BXJFSNLAZVLVBF-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO N#Cc1ccc(CNC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000078266983 454220226 /nfs/dbraw/zinc/22/02/26/454220226.db2.gz GWNOQPQYBSMDDD-JXMROGBWSA-N 1 2 328.375 3.074 20 30 EGEDLO C=CC[N@H+](CC(=O)NCCOc1ccccc1)Cc1ccccc1F ZINC000071996789 454264853 /nfs/dbraw/zinc/26/48/53/454264853.db2.gz DTEGLWNKGDPSDN-UHFFFAOYSA-N 1 2 342.414 3.009 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCCOc1ccccc1)Cc1ccccc1F ZINC000071996789 454264859 /nfs/dbraw/zinc/26/48/59/454264859.db2.gz DTEGLWNKGDPSDN-UHFFFAOYSA-N 1 2 342.414 3.009 20 30 EGEDLO CC[N@@H+](CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)C[C@H](C)C#N ZINC000060038277 454265950 /nfs/dbraw/zinc/26/59/50/454265950.db2.gz RMZVYRNDJOBBEI-GFCCVEGCSA-N 1 2 342.270 3.433 20 30 EGEDLO CC[N@H+](CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)C[C@H](C)C#N ZINC000060038277 454265953 /nfs/dbraw/zinc/26/59/53/454265953.db2.gz RMZVYRNDJOBBEI-GFCCVEGCSA-N 1 2 342.270 3.433 20 30 EGEDLO CC[C@@H](C#N)NC(=O)c1cccc(OCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000060342113 454278738 /nfs/dbraw/zinc/27/87/38/454278738.db2.gz LTXNOTOOQCNUBN-INIZCTEOSA-N 1 2 348.406 3.254 20 30 EGEDLO Cc1ccc2[nH+]c(COc3cccc(C(=O)NC[C@@H](C)C#N)c3)cn2c1 ZINC000078597951 454283283 /nfs/dbraw/zinc/28/32/83/454283283.db2.gz CWIKKTKTZNHOHX-HNNXBMFYSA-N 1 2 348.406 3.111 20 30 EGEDLO CCCOc1ccc(/C=N/[C@H]2CCN(c3cccc[nH+]3)C2)c(O)c1 ZINC000133114551 454394286 /nfs/dbraw/zinc/39/42/86/454394286.db2.gz GSIZYXRLVWHQBL-REIAIGDLSA-N 1 2 325.412 3.274 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Cl)cn1)Cc1cccc(C#N)c1 ZINC000063300194 454403941 /nfs/dbraw/zinc/40/39/41/454403941.db2.gz UHMAVDGKGXSCFN-UHFFFAOYSA-N 1 2 340.814 3.233 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccc(Cl)cn1)Cc1cccc(C#N)c1 ZINC000063300194 454403946 /nfs/dbraw/zinc/40/39/46/454403946.db2.gz UHMAVDGKGXSCFN-UHFFFAOYSA-N 1 2 340.814 3.233 20 30 EGEDLO CCC[N@H+](CCS(=O)(=O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000047740009 454404304 /nfs/dbraw/zinc/40/43/04/454404304.db2.gz UKVMEMNVGKLUCP-UHFFFAOYSA-N 1 2 342.464 3.244 20 30 EGEDLO CCC[N@@H+](CCS(=O)(=O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000047740009 454404306 /nfs/dbraw/zinc/40/43/06/454404306.db2.gz UKVMEMNVGKLUCP-UHFFFAOYSA-N 1 2 342.464 3.244 20 30 EGEDLO COc1cc(N[C@H]2CCC[N@H+](C[C@H](C#N)CCC#N)C2)cc(OC)c1 ZINC000133480275 454430013 /nfs/dbraw/zinc/43/00/13/454430013.db2.gz TZXXUAVTIQXKCP-HOTGVXAUSA-N 1 2 342.443 3.024 20 30 EGEDLO COc1cc(N[C@H]2CCC[N@@H+](C[C@H](C#N)CCC#N)C2)cc(OC)c1 ZINC000133480275 454430016 /nfs/dbraw/zinc/43/00/16/454430016.db2.gz TZXXUAVTIQXKCP-HOTGVXAUSA-N 1 2 342.443 3.024 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000091858696 454481533 /nfs/dbraw/zinc/48/15/33/454481533.db2.gz JHKRCCFVEATKAX-LJQANCHMSA-N 1 2 345.874 3.484 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000091858696 454481535 /nfs/dbraw/zinc/48/15/35/454481535.db2.gz JHKRCCFVEATKAX-LJQANCHMSA-N 1 2 345.874 3.484 20 30 EGEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1Cl)C1CC1 ZINC000052210978 454661934 /nfs/dbraw/zinc/66/19/34/454661934.db2.gz HECZMVJDVOFEHW-SJLPKXTDSA-N 1 2 331.847 3.285 20 30 EGEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1Cl)C1CC1 ZINC000052210978 454661941 /nfs/dbraw/zinc/66/19/41/454661941.db2.gz HECZMVJDVOFEHW-SJLPKXTDSA-N 1 2 331.847 3.285 20 30 EGEDLO C=CCOc1ccc(C[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1Cl ZINC000093420173 454714896 /nfs/dbraw/zinc/71/48/96/454714896.db2.gz YETWEKPHJLZJKH-CHWSQXEVSA-N 1 2 345.892 3.158 20 30 EGEDLO C=CCOc1ccc(C[N@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1Cl ZINC000093420173 454714899 /nfs/dbraw/zinc/71/48/99/454714899.db2.gz YETWEKPHJLZJKH-CHWSQXEVSA-N 1 2 345.892 3.158 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCSCC1 ZINC000108359516 454795063 /nfs/dbraw/zinc/79/50/63/454795063.db2.gz PCAYETPJJBOHQP-ZDUSSCGKSA-N 1 2 335.498 3.068 20 30 EGEDLO C=CCNC(=O)C[N@H+]1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000109791594 454837035 /nfs/dbraw/zinc/83/70/35/454837035.db2.gz BIUCRVKLSATMRY-KRWDZBQOSA-N 1 2 342.418 3.045 20 30 EGEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000109791594 454837036 /nfs/dbraw/zinc/83/70/36/454837036.db2.gz BIUCRVKLSATMRY-KRWDZBQOSA-N 1 2 342.418 3.045 20 30 EGEDLO C[C@@H](c1ccccn1)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000177248982 454842296 /nfs/dbraw/zinc/84/22/96/454842296.db2.gz OZZZMOUGYNLPMP-AWEZNQCLSA-N 1 2 349.394 3.084 20 30 EGEDLO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3cc(F)ccc3C#N)CC2)C1 ZINC000177265738 454844949 /nfs/dbraw/zinc/84/49/49/454844949.db2.gz YVWXKHXVRNUHME-HNNXBMFYSA-N 1 2 343.446 3.168 20 30 EGEDLO C=CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000111257306 454859269 /nfs/dbraw/zinc/85/92/69/454859269.db2.gz XLGJFPGPRYYGFS-NSHDSACASA-N 1 2 337.807 3.473 20 30 EGEDLO N#Cc1ccc(CN(C(=O)NCc2ccn3cc[nH+]c3c2)C2CC2)cc1 ZINC000177787030 454905223 /nfs/dbraw/zinc/90/52/23/454905223.db2.gz QSYFXWDUMVJHRD-UHFFFAOYSA-N 1 2 345.406 3.080 20 30 EGEDLO Cc1oc(NC(=O)C[NH2+]C2(c3nccs3)CCCC2)c(C#N)c1C ZINC000126723295 454914828 /nfs/dbraw/zinc/91/48/28/454914828.db2.gz KYENQJRYXUUUNV-UHFFFAOYSA-N 1 2 344.440 3.222 20 30 EGEDLO CC#CCCCC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000185076351 455497133 /nfs/dbraw/zinc/49/71/33/455497133.db2.gz HSWOVPJIBUSXAE-UHFFFAOYSA-N 1 2 348.874 3.057 20 30 EGEDLO Cc1ccn2c(C[NH+]3CCN([C@@H](C#N)c4ccccc4)CC3)cnc2c1 ZINC000155253201 454979747 /nfs/dbraw/zinc/97/97/47/454979747.db2.gz VZKIODVKINXYTL-FQEVSTJZSA-N 1 2 345.450 3.025 20 30 EGEDLO Cc1ccn2c(CN3CCN([C@@H](C#N)c4ccccc4)CC3)c[nH+]c2c1 ZINC000155253201 454979751 /nfs/dbraw/zinc/97/97/51/454979751.db2.gz VZKIODVKINXYTL-FQEVSTJZSA-N 1 2 345.450 3.025 20 30 EGEDLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000127820977 455001153 /nfs/dbraw/zinc/00/11/53/455001153.db2.gz OLPZXKDJXXULFJ-GFCCVEGCSA-N 1 2 328.803 3.238 20 30 EGEDLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000127820977 455001156 /nfs/dbraw/zinc/00/11/56/455001156.db2.gz OLPZXKDJXXULFJ-GFCCVEGCSA-N 1 2 328.803 3.238 20 30 EGEDLO CCOC(=O)C[N@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000128598326 455071476 /nfs/dbraw/zinc/07/14/76/455071476.db2.gz XDIPCNQLWBPFNI-UHFFFAOYSA-N 1 2 338.407 3.132 20 30 EGEDLO CCOC(=O)C[N@@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000128598326 455071480 /nfs/dbraw/zinc/07/14/80/455071480.db2.gz XDIPCNQLWBPFNI-UHFFFAOYSA-N 1 2 338.407 3.132 20 30 EGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C2(C#N)CCCCC2)CC1 ZINC000128621738 455072915 /nfs/dbraw/zinc/07/29/15/455072915.db2.gz CTSIQCZHOYAGKA-HNNXBMFYSA-N 1 2 331.485 3.427 20 30 EGEDLO Cc1csc(N2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)n1 ZINC000156142224 455086266 /nfs/dbraw/zinc/08/62/66/455086266.db2.gz KTHZWEYYZTXGJV-UHFFFAOYSA-N 1 2 331.872 3.279 20 30 EGEDLO Cc1c(NC(=O)CC[N@H+](CC#N)C2CCCC2)cccc1[N+](=O)[O-] ZINC000156644092 455140368 /nfs/dbraw/zinc/14/03/68/455140368.db2.gz IVOQSJBVRBBFOO-UHFFFAOYSA-N 1 2 330.388 3.000 20 30 EGEDLO Cc1c(NC(=O)CC[N@@H+](CC#N)C2CCCC2)cccc1[N+](=O)[O-] ZINC000156644092 455140373 /nfs/dbraw/zinc/14/03/73/455140373.db2.gz IVOQSJBVRBBFOO-UHFFFAOYSA-N 1 2 330.388 3.000 20 30 EGEDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CC#N)C1CCCC1 ZINC000156735703 455147268 /nfs/dbraw/zinc/14/72/68/455147268.db2.gz JWRRJTUSFBXJRJ-UHFFFAOYSA-N 1 2 330.388 3.000 20 30 EGEDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CC#N)C1CCCC1 ZINC000156735703 455147269 /nfs/dbraw/zinc/14/72/69/455147269.db2.gz JWRRJTUSFBXJRJ-UHFFFAOYSA-N 1 2 330.388 3.000 20 30 EGEDLO FC(F)C(F)(F)COCCn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000189327559 455177235 /nfs/dbraw/zinc/17/72/35/455177235.db2.gz MHVSSRILQKSJKN-UHFFFAOYSA-N 1 2 345.218 3.367 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180493006 455182049 /nfs/dbraw/zinc/18/20/49/455182049.db2.gz AGTVIPBWTZVMMG-GFCCVEGCSA-N 1 2 326.362 3.125 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180493006 455182056 /nfs/dbraw/zinc/18/20/56/455182056.db2.gz AGTVIPBWTZVMMG-GFCCVEGCSA-N 1 2 326.362 3.125 20 30 EGEDLO Cc1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)ccc1Cl ZINC000180494026 455182283 /nfs/dbraw/zinc/18/22/83/455182283.db2.gz DPIVTUMDTQECSP-AWEZNQCLSA-N 1 2 341.846 3.021 20 30 EGEDLO Cc1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)ccc1Cl ZINC000180494026 455182285 /nfs/dbraw/zinc/18/22/85/455182285.db2.gz DPIVTUMDTQECSP-AWEZNQCLSA-N 1 2 341.846 3.021 20 30 EGEDLO CC[N@H+](Cc1cn(Cc2cccnc2)nn1)[C@H](C)c1ccc(C#N)cc1 ZINC000182997170 455206516 /nfs/dbraw/zinc/20/65/16/455206516.db2.gz LIEYIANPISREFQ-MRXNPFEDSA-N 1 2 346.438 3.176 20 30 EGEDLO CC[N@@H+](Cc1cn(Cc2cccnc2)nn1)[C@H](C)c1ccc(C#N)cc1 ZINC000182997170 455206519 /nfs/dbraw/zinc/20/65/19/455206519.db2.gz LIEYIANPISREFQ-MRXNPFEDSA-N 1 2 346.438 3.176 20 30 EGEDLO C=CCOc1ccc(C[N@H+](C)Cc2ncc(Cl)n2C)cc1OC ZINC000181140265 455293771 /nfs/dbraw/zinc/29/37/71/455293771.db2.gz BTWFSUPIGSTEBX-UHFFFAOYSA-N 1 2 335.835 3.279 20 30 EGEDLO C=CCOc1ccc(C[N@@H+](C)Cc2ncc(Cl)n2C)cc1OC ZINC000181140265 455293777 /nfs/dbraw/zinc/29/37/77/455293777.db2.gz BTWFSUPIGSTEBX-UHFFFAOYSA-N 1 2 335.835 3.279 20 30 EGEDLO N#Cc1ccccc1OCCn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000181721847 455376185 /nfs/dbraw/zinc/37/61/85/455376185.db2.gz GKQDPFCDDWHWSJ-UHFFFAOYSA-N 1 2 332.285 3.401 20 30 EGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000159726020 455398090 /nfs/dbraw/zinc/39/80/90/455398090.db2.gz UUNAMYCPKZSLCP-UHFFFAOYSA-N 1 2 347.378 3.348 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(N(C)CCOC)nc1)Cc1ccccc1F ZINC000191268883 455473849 /nfs/dbraw/zinc/47/38/49/455473849.db2.gz CYTMKXHFKFSSIH-UHFFFAOYSA-N 1 2 343.446 3.492 20 30 EGEDLO C=CC[N@H+](Cc1ccc(N(C)CCOC)nc1)Cc1ccccc1F ZINC000191268883 455473856 /nfs/dbraw/zinc/47/38/56/455473856.db2.gz CYTMKXHFKFSSIH-UHFFFAOYSA-N 1 2 343.446 3.492 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000185087218 455498790 /nfs/dbraw/zinc/49/87/90/455498790.db2.gz XTQLOPKIEDTYKY-YOEHRIQHSA-N 1 2 327.428 3.237 20 30 EGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192031126 455545604 /nfs/dbraw/zinc/54/56/04/455545604.db2.gz XEGRKIRFCLKTRF-LJQANCHMSA-N 1 2 340.398 3.304 20 30 EGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192031126 455545607 /nfs/dbraw/zinc/54/56/07/455545607.db2.gz XEGRKIRFCLKTRF-LJQANCHMSA-N 1 2 340.398 3.304 20 30 EGEDLO COCCn1c2ccccc2[nH+]c1NCc1ccc(OC)c(C#N)c1 ZINC000185844010 455633510 /nfs/dbraw/zinc/63/35/10/455633510.db2.gz BEFNFGGBEFAMAP-UHFFFAOYSA-N 1 2 336.395 3.175 20 30 EGEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](C)O1 ZINC000247748279 455643945 /nfs/dbraw/zinc/64/39/45/455643945.db2.gz YLXNQHQTXZQZRD-LALPHHSUSA-N 1 2 335.835 3.038 20 30 EGEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](C)O1 ZINC000247748279 455643951 /nfs/dbraw/zinc/64/39/51/455643951.db2.gz YLXNQHQTXZQZRD-LALPHHSUSA-N 1 2 335.835 3.038 20 30 EGEDLO C=CCC(C)(C)CNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000292584375 455704673 /nfs/dbraw/zinc/70/46/73/455704673.db2.gz JZFYYJRDXSQLSM-UHFFFAOYSA-N 1 2 331.460 3.243 20 30 EGEDLO C=C(C)CS(=O)(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000284637116 455718505 /nfs/dbraw/zinc/71/85/05/455718505.db2.gz LFFQJRCHTSFVTO-UHFFFAOYSA-N 1 2 332.425 3.171 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000292684960 455731278 /nfs/dbraw/zinc/73/12/78/455731278.db2.gz NCHYSCUCFUYGST-GOSISDBHSA-N 1 2 330.472 3.087 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000193694542 455771513 /nfs/dbraw/zinc/77/15/13/455771513.db2.gz SLBOKEWDOKINIF-UHFFFAOYSA-N 1 2 328.243 3.187 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000193694542 455771519 /nfs/dbraw/zinc/77/15/19/455771519.db2.gz SLBOKEWDOKINIF-UHFFFAOYSA-N 1 2 328.243 3.187 20 30 EGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CC(C)(C)C#N ZINC000278286268 455806909 /nfs/dbraw/zinc/80/69/09/455806909.db2.gz GOPAGWSMEDUYJT-UHFFFAOYSA-N 1 2 328.460 3.086 20 30 EGEDLO COc1ccsc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000269348075 455841111 /nfs/dbraw/zinc/84/11/11/455841111.db2.gz JDMOOGDYNNAAPG-INIZCTEOSA-N 1 2 327.453 3.139 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2c(C)nn(C(C)(C)C)c2C)n1 ZINC000278990191 455855466 /nfs/dbraw/zinc/85/54/66/455855466.db2.gz BCHAIMHXQUYWBU-UHFFFAOYSA-N 1 2 327.476 3.107 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2c(C)nn(C(C)(C)C)c2C)n1 ZINC000278990191 455855469 /nfs/dbraw/zinc/85/54/69/455855469.db2.gz BCHAIMHXQUYWBU-UHFFFAOYSA-N 1 2 327.476 3.107 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2c(F)cncc2F)c(C#N)c1C ZINC000285508179 455860403 /nfs/dbraw/zinc/86/04/03/455860403.db2.gz DFBFLVVBPOVPNE-VHSXEESVSA-N 1 2 348.353 3.119 20 30 EGEDLO C=C(C)[C@H](CC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1)OCC ZINC000270052776 455866339 /nfs/dbraw/zinc/86/63/39/455866339.db2.gz RPFSXNPQRBOBEM-SFHVURJKSA-N 1 2 345.487 3.305 20 30 EGEDLO C=CC[N@@H+](CCc1cccc(Cl)c1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000280051603 455882396 /nfs/dbraw/zinc/88/23/96/455882396.db2.gz OZVPVCIIJSOONC-ZDUSSCGKSA-N 1 2 348.295 3.211 20 30 EGEDLO C=CC[N@H+](CCc1cccc(Cl)c1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000280051603 455882398 /nfs/dbraw/zinc/88/23/98/455882398.db2.gz OZVPVCIIJSOONC-ZDUSSCGKSA-N 1 2 348.295 3.211 20 30 EGEDLO Cc1noc(C)c1C(C)(C)[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000285742475 455907999 /nfs/dbraw/zinc/90/79/99/455907999.db2.gz RFFKMUNVVDPMFI-UHFFFAOYSA-N 1 2 337.383 3.238 20 30 EGEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccc(C(C)(C)C#N)cc3)n2)C1 ZINC000280241151 455925680 /nfs/dbraw/zinc/92/56/80/455925680.db2.gz IBHZLQLILKJFMV-MRXNPFEDSA-N 1 2 340.427 3.319 20 30 EGEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccc(C(C)(C)C#N)cc3)n2)C1 ZINC000280241151 455925684 /nfs/dbraw/zinc/92/56/84/455925684.db2.gz IBHZLQLILKJFMV-MRXNPFEDSA-N 1 2 340.427 3.319 20 30 EGEDLO C=CCN(C)S(=O)(=O)c1ccc(NCc2ccc(C)[nH+]c2C)cc1 ZINC000187720615 455943924 /nfs/dbraw/zinc/94/39/24/455943924.db2.gz USBOCMSTAFEESU-UHFFFAOYSA-N 1 2 345.468 3.117 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](CC)Cc1cnn(C)c1 ZINC000195518673 455978783 /nfs/dbraw/zinc/97/87/83/455978783.db2.gz JKTOIRSLEDBWCD-UHFFFAOYSA-N 1 2 344.484 3.159 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@H+](CC)Cc1cnn(C)c1 ZINC000195518673 455978788 /nfs/dbraw/zinc/97/87/88/455978788.db2.gz JKTOIRSLEDBWCD-UHFFFAOYSA-N 1 2 344.484 3.159 20 30 EGEDLO C#CCn1ccc(CN(CC)c2[nH+]ccc3cc(OC)c(F)cc32)n1 ZINC000288420744 456095196 /nfs/dbraw/zinc/09/51/96/456095196.db2.gz MHRUTQFQGWYAOI-UHFFFAOYSA-N 1 2 338.386 3.239 20 30 EGEDLO CC1CCN(c2ccc(CNc3nc4ccccn4c3C#N)c[nH+]2)CC1 ZINC000272891421 456103668 /nfs/dbraw/zinc/10/36/68/456103668.db2.gz JPEXCVDVNCVSFQ-UHFFFAOYSA-N 1 2 346.438 3.449 20 30 EGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000289729960 456139818 /nfs/dbraw/zinc/13/98/18/456139818.db2.gz VGKUYVUZPPQRBA-ZDUSSCGKSA-N 1 2 341.440 3.183 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ncc(-c3ccc(Cl)cc3)o2)C1=O ZINC000281312978 456197969 /nfs/dbraw/zinc/19/79/69/456197969.db2.gz KRPAMAPBPWTHHH-OAHLLOKOSA-N 1 2 345.830 3.214 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ncc(-c3ccc(Cl)cc3)o2)C1=O ZINC000281312978 456197976 /nfs/dbraw/zinc/19/79/76/456197976.db2.gz KRPAMAPBPWTHHH-OAHLLOKOSA-N 1 2 345.830 3.214 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1nnc(C)s1 ZINC000273572421 456239509 /nfs/dbraw/zinc/23/95/09/456239509.db2.gz GDYOEUZOHBTDJG-NSHDSACASA-N 1 2 348.497 3.414 20 30 EGEDLO CCN(CC)c1ccc(/C=[NH+]/[C@H](CC(F)(F)F)C(=O)OC)c(O)c1 ZINC000274066973 456249514 /nfs/dbraw/zinc/24/95/14/456249514.db2.gz JXEHUIKQAGAREP-RNDVCUHJSA-N 1 2 346.349 3.151 20 30 EGEDLO CN(C(=O)c1ccc(CC#N)cc1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352781271 456299938 /nfs/dbraw/zinc/29/99/38/456299938.db2.gz XYPDXBIBNMIXEV-SFHVURJKSA-N 1 2 330.391 3.337 20 30 EGEDLO N#Cc1ccc(CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000347695754 456311335 /nfs/dbraw/zinc/31/13/35/456311335.db2.gz HRFIURIGNZDRSA-UHFFFAOYSA-N 1 2 346.390 3.015 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(C(=O)OC)ccc1F ZINC000352794226 456315595 /nfs/dbraw/zinc/31/55/95/456315595.db2.gz ACSPFLFLAWQFMP-UHFFFAOYSA-N 1 2 347.386 3.276 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(C(=O)OC)ccc1F ZINC000352794226 456315601 /nfs/dbraw/zinc/31/56/01/456315601.db2.gz ACSPFLFLAWQFMP-UHFFFAOYSA-N 1 2 347.386 3.276 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)c2ccccc2Br)C1=O ZINC000337128285 456328349 /nfs/dbraw/zinc/32/83/49/456328349.db2.gz HOFSTIRIYINFIO-SWLSCSKDSA-N 1 2 337.261 3.229 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000352813021 456329414 /nfs/dbraw/zinc/32/94/14/456329414.db2.gz BMJXLPBLCRFXPO-FCEWJHQRSA-N 1 2 348.487 3.233 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000352813021 456329416 /nfs/dbraw/zinc/32/94/16/456329416.db2.gz BMJXLPBLCRFXPO-FCEWJHQRSA-N 1 2 348.487 3.233 20 30 EGEDLO COC(=O)c1occc1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000347793571 456371240 /nfs/dbraw/zinc/37/12/40/456371240.db2.gz CPZSIZABNMTAFZ-UHFFFAOYSA-N 1 2 337.297 3.226 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCCC(C)(C)[C@H]1C#N ZINC000282013265 456390193 /nfs/dbraw/zinc/39/01/93/456390193.db2.gz WVVQUGCFILRYMT-MRXNPFEDSA-N 1 2 346.381 3.164 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)c1F ZINC000352888277 456391314 /nfs/dbraw/zinc/39/13/14/456391314.db2.gz UDQVHNHWIFLIFA-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)c1F ZINC000352888277 456391321 /nfs/dbraw/zinc/39/13/21/456391321.db2.gz UDQVHNHWIFLIFA-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO C=CCC[N@@H+](C)Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000276458369 456487692 /nfs/dbraw/zinc/48/76/92/456487692.db2.gz QMGWYTGEFZMHKX-UHFFFAOYSA-N 1 2 336.482 3.222 20 30 EGEDLO C=CCC[N@H+](C)Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000276458369 456487698 /nfs/dbraw/zinc/48/76/98/456487698.db2.gz QMGWYTGEFZMHKX-UHFFFAOYSA-N 1 2 336.482 3.222 20 30 EGEDLO COc1ccc(C#N)cc1C[N@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000353201743 456555658 /nfs/dbraw/zinc/55/56/58/456555658.db2.gz HISHRQHBHYXQRR-UHFFFAOYSA-N 1 2 343.471 3.180 20 30 EGEDLO COc1ccc(C#N)cc1C[N@@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000353201743 456555660 /nfs/dbraw/zinc/55/56/60/456555660.db2.gz HISHRQHBHYXQRR-UHFFFAOYSA-N 1 2 343.471 3.180 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000337903194 456594274 /nfs/dbraw/zinc/59/42/74/456594274.db2.gz SAVVZKVPHCCOPF-GOSISDBHSA-N 1 2 348.381 3.259 20 30 EGEDLO Cc1ncc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)s1 ZINC000348320783 456620500 /nfs/dbraw/zinc/62/05/00/456620500.db2.gz CIYNNNHBYQGBPL-KRWDZBQOSA-N 1 2 346.887 3.487 20 30 EGEDLO C=C1CC[NH+](Cc2cn(-c3ccccc3)nc2C(=O)OCC)CC1 ZINC000353327620 456641610 /nfs/dbraw/zinc/64/16/10/456641610.db2.gz DMQKHDHLHGCCKT-UHFFFAOYSA-N 1 2 325.412 3.201 20 30 EGEDLO C[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1nnnn1-c1ccccc1 ZINC000348360157 456647917 /nfs/dbraw/zinc/64/79/17/456647917.db2.gz UYIUPAFRFIRQPR-CQSZACIVSA-N 1 2 337.814 3.018 20 30 EGEDLO C=CCN(CCC#N)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000291751406 456743744 /nfs/dbraw/zinc/74/37/44/456743744.db2.gz LRCRLOZJTGCWTC-CQSZACIVSA-N 1 2 347.488 3.309 20 30 EGEDLO C=CCN(CCC#N)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000291751406 456743752 /nfs/dbraw/zinc/74/37/52/456743752.db2.gz LRCRLOZJTGCWTC-CQSZACIVSA-N 1 2 347.488 3.309 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(-c3ccsc3)s2)C1=O ZINC000343619897 456749191 /nfs/dbraw/zinc/74/91/91/456749191.db2.gz KVWCUUCPHHNYRG-AWEZNQCLSA-N 1 2 333.482 3.090 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccsc3)s2)C1=O ZINC000343619897 456749193 /nfs/dbraw/zinc/74/91/93/456749193.db2.gz KVWCUUCPHHNYRG-AWEZNQCLSA-N 1 2 333.482 3.090 20 30 EGEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1c(F)ccc(O)c1F ZINC000353549638 456751963 /nfs/dbraw/zinc/75/19/63/456751963.db2.gz LCZWBYWVYBHTJR-UHFFFAOYSA-N 1 2 332.350 3.191 20 30 EGEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1c(F)ccc(O)c1F ZINC000353549638 456751968 /nfs/dbraw/zinc/75/19/68/456751968.db2.gz LCZWBYWVYBHTJR-UHFFFAOYSA-N 1 2 332.350 3.191 20 30 EGEDLO Cc1ccc(NC(=O)C2CC[NH+](Cc3nnc(C(C)C)o3)CC2)nc1 ZINC000328911546 456789779 /nfs/dbraw/zinc/78/97/79/456789779.db2.gz OGZHAHUGMWTJDN-UHFFFAOYSA-N 1 2 343.431 3.397 20 30 EGEDLO C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000328924608 456792725 /nfs/dbraw/zinc/79/27/25/456792725.db2.gz VNIQYXARCXTXDY-JTQLQIEISA-N 1 2 344.440 3.117 20 30 EGEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CC(=O)Nc1c(C)cccc1C ZINC000329003759 456811230 /nfs/dbraw/zinc/81/12/30/456811230.db2.gz YCSVJUSDWZQNAP-FGTMMUONSA-N 1 2 346.471 3.407 20 30 EGEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1CC(=O)Nc1c(C)cccc1C ZINC000329003759 456811233 /nfs/dbraw/zinc/81/12/33/456811233.db2.gz YCSVJUSDWZQNAP-FGTMMUONSA-N 1 2 346.471 3.407 20 30 EGEDLO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)c1 ZINC000329002664 456811263 /nfs/dbraw/zinc/81/12/63/456811263.db2.gz XVFCRGXFZGLOOC-UAGQMJEPSA-N 1 2 344.459 3.052 20 30 EGEDLO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)c1 ZINC000329002664 456811271 /nfs/dbraw/zinc/81/12/71/456811271.db2.gz XVFCRGXFZGLOOC-UAGQMJEPSA-N 1 2 344.459 3.052 20 30 EGEDLO Cc1cnn(CC2CC[NH+]([C@H](C)C(=O)Nc3nccs3)CC2)c1 ZINC000329149608 456843785 /nfs/dbraw/zinc/84/37/85/456843785.db2.gz QUFJEVYGSUPBTO-CYBMUJFWSA-N 1 2 333.461 3.037 20 30 EGEDLO Cc1ccc2[nH+]c(COc3ccc(C(=O)NCCCC#N)cc3)cn2c1 ZINC000344690502 456848521 /nfs/dbraw/zinc/84/85/21/456848521.db2.gz UGLLYHWNPJJTMH-UHFFFAOYSA-N 1 2 348.406 3.255 20 30 EGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000338866784 456865583 /nfs/dbraw/zinc/86/55/83/456865583.db2.gz KPOMNOZJCMLCLA-UHFFFAOYSA-N 1 2 335.407 3.100 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CC12CCCCC2)C1CCOCC1 ZINC000329307344 456869456 /nfs/dbraw/zinc/86/94/56/456869456.db2.gz YHJFOHSGGVAXLI-HZPDHXFCSA-N 1 2 346.475 3.114 20 30 EGEDLO O=C(NC1CC[NH+](Cc2nnc3n2CCCC3)CC1)C1CCCCC1 ZINC000329332475 456873554 /nfs/dbraw/zinc/87/35/54/456873554.db2.gz JRZHCTYVRJSMCG-UHFFFAOYSA-N 1 2 345.491 3.116 20 30 EGEDLO CCn1cc[nH+]c1[C@@H](NC(=O)N1CCCC(C)(C)C1)C1CCOCC1 ZINC000329386371 456882927 /nfs/dbraw/zinc/88/29/27/456882927.db2.gz QJBWLDFHMXAITI-INIZCTEOSA-N 1 2 348.491 3.407 20 30 EGEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCOCC2(CC2)C1 ZINC000329420482 456887582 /nfs/dbraw/zinc/88/75/82/456887582.db2.gz DMAWCKIOYXRUBU-LBPRGKRZSA-N 1 2 338.835 3.438 20 30 EGEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCOCC2(CC2)C1 ZINC000329420482 456887583 /nfs/dbraw/zinc/88/75/83/456887583.db2.gz DMAWCKIOYXRUBU-LBPRGKRZSA-N 1 2 338.835 3.438 20 30 EGEDLO CN(Cc1cccc(C#N)c1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000341659126 456888031 /nfs/dbraw/zinc/88/80/31/456888031.db2.gz PFVBYQKXVZTHBG-LJQANCHMSA-N 1 2 344.418 3.462 20 30 EGEDLO Cc1ccc2[nH+]c(CNC(=O)Nc3cnc4c(c3)CCCC4)cn2c1 ZINC000329430949 456889509 /nfs/dbraw/zinc/88/95/09/456889509.db2.gz HMNWKXFZFXUTMF-UHFFFAOYSA-N 1 2 335.411 3.443 20 30 EGEDLO C=CC[C@@H](CO)CNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000341777077 456940244 /nfs/dbraw/zinc/94/02/44/456940244.db2.gz XEVZEARPLFONOS-CQSZACIVSA-N 1 2 327.384 3.180 20 30 EGEDLO Cc1nc(NC(=O)[C@@H]2C[N@H+](C)CCO2)sc1Cc1cccc(F)c1 ZINC000329818093 456946187 /nfs/dbraw/zinc/94/61/87/456946187.db2.gz FQNYDWUXRLGUGW-AWEZNQCLSA-N 1 2 349.431 3.100 20 30 EGEDLO Cc1nc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)sc1Cc1cccc(F)c1 ZINC000329818093 456946190 /nfs/dbraw/zinc/94/61/90/456946190.db2.gz FQNYDWUXRLGUGW-AWEZNQCLSA-N 1 2 349.431 3.100 20 30 EGEDLO Cc1onc(CC(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)c1C#N ZINC000353879318 456948000 /nfs/dbraw/zinc/94/80/00/456948000.db2.gz FZJNZNHJEWBHOO-UHFFFAOYSA-N 1 2 335.367 3.180 20 30 EGEDLO COc1ccc(F)cc1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341806312 456952359 /nfs/dbraw/zinc/95/23/59/456952359.db2.gz GNZHXZWDVXPQBW-IBGZPJMESA-N 1 2 326.371 3.279 20 30 EGEDLO COc1ccc(F)cc1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341806312 456952361 /nfs/dbraw/zinc/95/23/61/456952361.db2.gz GNZHXZWDVXPQBW-IBGZPJMESA-N 1 2 326.371 3.279 20 30 EGEDLO N#CCc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000339188731 456984034 /nfs/dbraw/zinc/98/40/34/456984034.db2.gz KTKDVTZUZKPNOR-UHFFFAOYSA-N 1 2 347.334 3.099 20 30 EGEDLO COCC1(C#N)CC[NH+]([C@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000341994293 457048108 /nfs/dbraw/zinc/04/81/08/457048108.db2.gz SJCRVZUGNBMHOW-GFCCVEGCSA-N 1 2 332.429 3.111 20 30 EGEDLO COc1cc(C[N@@H+]2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)ccc1C#N ZINC000354175683 457110142 /nfs/dbraw/zinc/11/01/42/457110142.db2.gz HISFWTWASRJFFS-MRXNPFEDSA-N 1 2 342.361 3.499 20 30 EGEDLO COc1cc(C[N@H+]2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)ccc1C#N ZINC000354175683 457110146 /nfs/dbraw/zinc/11/01/46/457110146.db2.gz HISFWTWASRJFFS-MRXNPFEDSA-N 1 2 342.361 3.499 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000349962830 457123043 /nfs/dbraw/zinc/12/30/43/457123043.db2.gz JFJFWEVSMWXBKD-OAQYLSRUSA-N 1 2 345.446 3.108 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000349962830 457123049 /nfs/dbraw/zinc/12/30/49/457123049.db2.gz JFJFWEVSMWXBKD-OAQYLSRUSA-N 1 2 345.446 3.108 20 30 EGEDLO COc1cc(Cl)c(Cl)cc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000331148625 457139862 /nfs/dbraw/zinc/13/98/62/457139862.db2.gz ZCCZVDVBKKSZSA-SNVBAGLBSA-N 1 2 347.242 3.027 20 30 EGEDLO COc1cc(Cl)c(Cl)cc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000331148625 457139867 /nfs/dbraw/zinc/13/98/67/457139867.db2.gz ZCCZVDVBKKSZSA-SNVBAGLBSA-N 1 2 347.242 3.027 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C#N)s1)c1cccc(F)c1 ZINC000362894526 457145439 /nfs/dbraw/zinc/14/54/39/457145439.db2.gz BHUJPMRRUYIMRE-OAHLLOKOSA-N 1 2 340.383 3.012 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(F)c(C(F)(F)F)cc2F)C1=O ZINC000347088809 457223302 /nfs/dbraw/zinc/22/33/02/457223302.db2.gz NHYUACPUZKQTFW-CQSZACIVSA-N 1 2 348.315 3.202 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(F)c(C(F)(F)F)cc2F)C1=O ZINC000347088809 457223307 /nfs/dbraw/zinc/22/33/07/457223307.db2.gz NHYUACPUZKQTFW-CQSZACIVSA-N 1 2 348.315 3.202 20 30 EGEDLO C=CCCC1(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)CC1 ZINC000354598444 457291741 /nfs/dbraw/zinc/29/17/41/457291741.db2.gz KKNVYYWPLYTUEK-IYBDPMFKSA-N 1 2 343.471 3.058 20 30 EGEDLO C[NH+](C)[C@H](CNc1nccc(C#N)c1Cl)c1c(F)cccc1F ZINC000342418524 457292232 /nfs/dbraw/zinc/29/22/32/457292232.db2.gz UGFFOGCJFAINIV-CYBMUJFWSA-N 1 2 336.773 3.022 20 30 EGEDLO C=CCC[C@H](O)C[NH+](Cc1c(C)noc1C)Cc1c(C)noc1C ZINC000351474024 457298632 /nfs/dbraw/zinc/29/86/32/457298632.db2.gz XFCPIYIMFQXLGA-INIZCTEOSA-N 1 2 333.432 3.226 20 30 EGEDLO N#Cc1ccc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[nH]1 ZINC000339841120 457304406 /nfs/dbraw/zinc/30/44/06/457304406.db2.gz CGIIXTSOCBMJBS-UHFFFAOYSA-N 1 2 329.363 3.054 20 30 EGEDLO CC(C)(CCC#N)CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000360421396 457308406 /nfs/dbraw/zinc/30/84/06/457308406.db2.gz COQYWYZMFILFML-QGZVFWFLSA-N 1 2 345.512 3.223 20 30 EGEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cncs2)CC1 ZINC000355295902 457354541 /nfs/dbraw/zinc/35/45/41/457354541.db2.gz WWKXZBYCQJMBHJ-INIZCTEOSA-N 1 2 332.860 3.179 20 30 EGEDLO Cc1nsc(N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)c1C#N ZINC000342555081 457364155 /nfs/dbraw/zinc/36/41/55/457364155.db2.gz ZLYBNGAYLNDIFG-ZDUSSCGKSA-N 1 2 330.432 3.346 20 30 EGEDLO Cc1nsc(N2CC[NH+](Cc3ccccc3Cl)CC2)c1C#N ZINC000342662772 457437960 /nfs/dbraw/zinc/43/79/60/457437960.db2.gz JEWJHIQYGAIWSP-UHFFFAOYSA-N 1 2 332.860 3.299 20 30 EGEDLO COc1cc(OC)cc(OCCCN(C)c2cc(C)[nH+]cc2C#N)c1 ZINC000425237138 457468320 /nfs/dbraw/zinc/46/83/20/457468320.db2.gz KVBYJLDPNHTMMD-UHFFFAOYSA-N 1 2 341.411 3.184 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000364197304 457522257 /nfs/dbraw/zinc/52/22/57/457522257.db2.gz SRYIGOIQMWFWBS-LJQANCHMSA-N 1 2 347.409 3.108 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000364197304 457522263 /nfs/dbraw/zinc/52/22/63/457522263.db2.gz SRYIGOIQMWFWBS-LJQANCHMSA-N 1 2 347.409 3.108 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000425395742 457535467 /nfs/dbraw/zinc/53/54/67/457535467.db2.gz IPOIMCOESQEGFX-OAHLLOKOSA-N 1 2 347.422 3.151 20 30 EGEDLO CCCn1c2ccccc2nc1C[NH+]1CCC(C#N)(COC)CC1 ZINC000342837239 457549318 /nfs/dbraw/zinc/54/93/18/457549318.db2.gz MLBMQSASJFFQJM-UHFFFAOYSA-N 1 2 326.444 3.198 20 30 EGEDLO N#CCc1ccc(C[N@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)cc1 ZINC000425510503 457581587 /nfs/dbraw/zinc/58/15/87/457581587.db2.gz MNVLDMJSTXJMFW-CALCHBBNSA-N 1 2 342.345 3.055 20 30 EGEDLO N#CCc1ccc(C[N@@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)cc1 ZINC000425510503 457581591 /nfs/dbraw/zinc/58/15/91/457581591.db2.gz MNVLDMJSTXJMFW-CALCHBBNSA-N 1 2 342.345 3.055 20 30 EGEDLO C[NH+](C)[C@@H](CNc1ccc(C#N)c([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000357545850 457587985 /nfs/dbraw/zinc/58/79/85/457587985.db2.gz ZPTNDJKWMKPKIW-INIZCTEOSA-N 1 2 346.337 3.459 20 30 EGEDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000361139094 457608703 /nfs/dbraw/zinc/60/87/03/457608703.db2.gz FTBSCZJTAZFYHQ-YJBOKZPZSA-N 1 2 330.428 3.143 20 30 EGEDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000361139094 457608709 /nfs/dbraw/zinc/60/87/09/457608709.db2.gz FTBSCZJTAZFYHQ-YJBOKZPZSA-N 1 2 330.428 3.143 20 30 EGEDLO C[C@@H](c1c(F)cccc1F)[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000357625473 457630391 /nfs/dbraw/zinc/63/03/91/457630391.db2.gz SYPAVJMQZBQTNP-ZFWWWQNUSA-N 1 2 346.377 3.269 20 30 EGEDLO C[C@@H](c1c(F)cccc1F)[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000357625473 457630393 /nfs/dbraw/zinc/63/03/93/457630393.db2.gz SYPAVJMQZBQTNP-ZFWWWQNUSA-N 1 2 346.377 3.269 20 30 EGEDLO CCOc1ccc(N(CCC#N)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)cc1 ZINC000366191428 457797960 /nfs/dbraw/zinc/79/79/60/457797960.db2.gz UOHRXFMWEQMSLR-INIZCTEOSA-N 1 2 338.411 3.175 20 30 EGEDLO COc1cc[nH+]cc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000361686436 457820517 /nfs/dbraw/zinc/82/05/17/457820517.db2.gz NEXBRWMVJZYYTC-UHFFFAOYSA-N 1 2 347.378 3.120 20 30 EGEDLO C=CC[N@H+](C[C@H]1CCCCO1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000444685439 457938899 /nfs/dbraw/zinc/93/88/99/457938899.db2.gz RPSQDWYBCMLEMN-RTBURBONSA-N 1 2 331.456 3.218 20 30 EGEDLO C=CC[N@@H+](C[C@H]1CCCCO1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000444685439 457938904 /nfs/dbraw/zinc/93/89/04/457938904.db2.gz RPSQDWYBCMLEMN-RTBURBONSA-N 1 2 331.456 3.218 20 30 EGEDLO CC(=O)Nc1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000371462215 457942851 /nfs/dbraw/zinc/94/28/51/457942851.db2.gz BVFJUBZZNQUOJD-FQEVSTJZSA-N 1 2 335.407 3.090 20 30 EGEDLO CC(=O)Nc1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000371462215 457942856 /nfs/dbraw/zinc/94/28/56/457942856.db2.gz BVFJUBZZNQUOJD-FQEVSTJZSA-N 1 2 335.407 3.090 20 30 EGEDLO C=CC[C@@H]1N(C(=O)NCc2ccc(N(C)C)[nH+]c2)CCCC1(C)C ZINC000444843517 457987983 /nfs/dbraw/zinc/98/79/83/457987983.db2.gz CDBLJTAGNORUJZ-INIZCTEOSA-N 1 2 330.476 3.424 20 30 EGEDLO C=CC[C@@H]1N(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCCC1(C)C ZINC000445209642 458026552 /nfs/dbraw/zinc/02/65/52/458026552.db2.gz FIMRXFJQHPDZRG-SJORKVTESA-N 1 2 342.487 3.437 20 30 EGEDLO N#Cc1ccccc1/C=C\c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000445816413 458093668 /nfs/dbraw/zinc/09/36/68/458093668.db2.gz WCVUANNKUNNCMH-LZDOZHLXSA-N 1 2 336.395 3.037 20 30 EGEDLO N#Cc1ccccc1/C=C\c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000445816413 458093673 /nfs/dbraw/zinc/09/36/73/458093673.db2.gz WCVUANNKUNNCMH-LZDOZHLXSA-N 1 2 336.395 3.037 20 30 EGEDLO N#Cc1ccc(C(=O)N(Cc2[nH]cc[nH+]2)c2cccc(F)c2)s1 ZINC000445966160 458121635 /nfs/dbraw/zinc/12/16/35/458121635.db2.gz OLXORYMOEJSUHB-UHFFFAOYSA-N 1 2 326.356 3.329 20 30 EGEDLO C=CCN1CC[C@H](N(C)c2cc[nH+]c3c(OCCC)cccc23)C1=O ZINC000358655674 458132598 /nfs/dbraw/zinc/13/25/98/458132598.db2.gz ALEXIBJXOXIBEY-KRWDZBQOSA-N 1 2 339.439 3.247 20 30 EGEDLO O=C(CC1CCCC1)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000372192861 458225279 /nfs/dbraw/zinc/22/52/79/458225279.db2.gz XBWUAPBLGMMYSU-UHFFFAOYSA-N 1 2 342.458 3.292 20 30 EGEDLO O=C(CC1CCCC1)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000372192861 458225284 /nfs/dbraw/zinc/22/52/84/458225284.db2.gz XBWUAPBLGMMYSU-UHFFFAOYSA-N 1 2 342.458 3.292 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000372297442 458269381 /nfs/dbraw/zinc/26/93/81/458269381.db2.gz VBGYNGNAWZVQKR-MRXNPFEDSA-N 1 2 347.846 3.041 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000372297442 458269388 /nfs/dbraw/zinc/26/93/88/458269388.db2.gz VBGYNGNAWZVQKR-MRXNPFEDSA-N 1 2 347.846 3.041 20 30 EGEDLO CC(C)(CC#N)CNC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000459256434 458304485 /nfs/dbraw/zinc/30/44/85/458304485.db2.gz IKILKCTWKMTZBW-UHFFFAOYSA-N 1 2 348.878 3.107 20 30 EGEDLO COc1ccccc1-c1noc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)n1 ZINC000369672166 458312180 /nfs/dbraw/zinc/31/21/80/458312180.db2.gz MKOBDNCVCNEDLE-CYBMUJFWSA-N 1 2 334.379 3.468 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459360531 458344087 /nfs/dbraw/zinc/34/40/87/458344087.db2.gz OQCNXEQJRHJQEC-QZTJIDSGSA-N 1 2 334.423 3.331 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459360531 458344091 /nfs/dbraw/zinc/34/40/91/458344091.db2.gz OQCNXEQJRHJQEC-QZTJIDSGSA-N 1 2 334.423 3.331 20 30 EGEDLO N#CCN1CC[NH+](Cc2cnn(C3CCCC3)c2-c2ccccc2)CC1 ZINC000421318819 458410266 /nfs/dbraw/zinc/41/02/66/458410266.db2.gz IGYBCMMYMBEOFZ-UHFFFAOYSA-N 1 2 349.482 3.306 20 30 EGEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000448953701 458417464 /nfs/dbraw/zinc/41/74/64/458417464.db2.gz ICVRVWRIPUMDKY-MRAWALMUSA-N 1 2 349.837 3.109 20 30 EGEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000448953701 458417467 /nfs/dbraw/zinc/41/74/67/458417467.db2.gz ICVRVWRIPUMDKY-MRAWALMUSA-N 1 2 349.837 3.109 20 30 EGEDLO C=CCN1C(=O)N(Cc2cc(C)[nH+]c(C)c2)C(=O)[C@@H]1Cc1ccccc1 ZINC000421812630 458422598 /nfs/dbraw/zinc/42/25/98/458422598.db2.gz CWGWRAKBQXPOSS-IBGZPJMESA-N 1 2 349.434 3.260 20 30 EGEDLO C=CCC1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CCCC1 ZINC000449409933 458423846 /nfs/dbraw/zinc/42/38/46/458423846.db2.gz WQEUALNWZMAAQK-LJQANCHMSA-N 1 2 342.483 3.313 20 30 EGEDLO C=CCc1cc(C[NH2+][C@H](C(=O)OC(C)C)C(C)C)cc(OC)c1O ZINC000449503876 458425632 /nfs/dbraw/zinc/42/56/32/458425632.db2.gz ILGULUDZGCNBEV-KRWDZBQOSA-N 1 2 335.444 3.195 20 30 EGEDLO C=C(CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000377018833 458441869 /nfs/dbraw/zinc/44/18/69/458441869.db2.gz HRFKWKWURIDWGK-KRWDZBQOSA-N 1 2 338.455 3.098 20 30 EGEDLO CCn1cc[nH+]c1CNC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000452568389 458504674 /nfs/dbraw/zinc/50/46/74/458504674.db2.gz ADPXWMHHKUZIST-UHFFFAOYSA-N 1 2 335.411 3.091 20 30 EGEDLO C=CCCc1noc([C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)n1 ZINC000453234427 458523787 /nfs/dbraw/zinc/52/37/87/458523787.db2.gz KZZFGZCQSNBQEL-AWEZNQCLSA-N 1 2 330.407 3.211 20 30 EGEDLO C=C[C@@H]1CCCCN1C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000494174718 458636528 /nfs/dbraw/zinc/63/65/28/458636528.db2.gz BOMGYHFSXNQYGV-SJORKVTESA-N 1 2 342.418 3.399 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)NCC(=O)c1ccccc1)Cc1ccccc1 ZINC000470910101 458662499 /nfs/dbraw/zinc/66/24/99/458662499.db2.gz XITPGPJEUNZPDF-UHFFFAOYSA-N 1 2 336.435 3.064 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)NCC(=O)c1ccccc1)Cc1ccccc1 ZINC000470910101 458662506 /nfs/dbraw/zinc/66/25/06/458662506.db2.gz XITPGPJEUNZPDF-UHFFFAOYSA-N 1 2 336.435 3.064 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432029154 458663894 /nfs/dbraw/zinc/66/38/94/458663894.db2.gz BBBWLZVIHAPBHD-QGZVFWFLSA-N 1 2 335.398 3.254 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432029154 458663899 /nfs/dbraw/zinc/66/38/99/458663899.db2.gz BBBWLZVIHAPBHD-QGZVFWFLSA-N 1 2 335.398 3.254 20 30 EGEDLO C=CCC1(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)CCCC1 ZINC000456489354 458692733 /nfs/dbraw/zinc/69/27/33/458692733.db2.gz TWFHEWBFXREYDM-UHFFFAOYSA-N 1 2 342.483 3.385 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CCCN(CCC)C(=O)C2)cc1Cl ZINC000471812798 458736260 /nfs/dbraw/zinc/73/62/60/458736260.db2.gz XFKCATORASUDKJ-UHFFFAOYSA-N 1 2 336.863 3.349 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CCCN(CCC)C(=O)C2)cc1Cl ZINC000471812798 458736263 /nfs/dbraw/zinc/73/62/63/458736263.db2.gz XFKCATORASUDKJ-UHFFFAOYSA-N 1 2 336.863 3.349 20 30 EGEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000507275956 458753373 /nfs/dbraw/zinc/75/33/73/458753373.db2.gz FLBWUNLEEUVFFA-UHFFFAOYSA-N 1 2 343.377 3.482 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)cc1Cl ZINC000512686744 458788863 /nfs/dbraw/zinc/78/88/63/458788863.db2.gz JIMFUJGJVYMYIY-JKSUJKDBSA-N 1 2 334.847 3.148 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)cc1Cl ZINC000512686744 458788870 /nfs/dbraw/zinc/78/88/70/458788870.db2.gz JIMFUJGJVYMYIY-JKSUJKDBSA-N 1 2 334.847 3.148 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)NCC(C)(C)C#N)CC1 ZINC000512918810 458790142 /nfs/dbraw/zinc/79/01/42/458790142.db2.gz UDBOYQPDHRRZGL-CQSZACIVSA-N 1 2 348.878 3.278 20 30 EGEDLO Cc1cc(C)c(CNC(=O)CCCCOc2cccc(C#N)c2)c[nH+]1 ZINC000456848794 458798978 /nfs/dbraw/zinc/79/89/78/458798978.db2.gz UVIRPDOHPPOZNE-UHFFFAOYSA-N 1 2 337.423 3.436 20 30 EGEDLO C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000515488012 458810018 /nfs/dbraw/zinc/81/00/18/458810018.db2.gz NIJNLVYAUKKTBK-BONVTDFDSA-N 1 2 328.243 3.057 20 30 EGEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000516947926 458823820 /nfs/dbraw/zinc/82/38/20/458823820.db2.gz SNVYTXAIGNCBME-UZLBHIALSA-N 1 2 336.439 3.063 20 30 EGEDLO COc1cc2[nH+]ccc(NCC3(C#N)CC3)c2cc1Br ZINC000518172748 458846193 /nfs/dbraw/zinc/84/61/93/458846193.db2.gz YMEGTZGGSHPVOM-UHFFFAOYSA-N 1 2 332.201 3.143 20 30 EGEDLO CC#CC[N@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1 ZINC000550490802 458886399 /nfs/dbraw/zinc/88/63/99/458886399.db2.gz BUTVRSNQJXIWRU-LJQANCHMSA-N 1 2 326.465 3.217 20 30 EGEDLO CC#CC[N@@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1 ZINC000550490802 458886404 /nfs/dbraw/zinc/88/64/04/458886404.db2.gz BUTVRSNQJXIWRU-LJQANCHMSA-N 1 2 326.465 3.217 20 30 EGEDLO CC1CC(C#N)(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000531562711 458935977 /nfs/dbraw/zinc/93/59/77/458935977.db2.gz HENPUOOAYIAILF-SFYCDEOASA-N 1 2 332.473 3.253 20 30 EGEDLO CC1CC(C#N)(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000531562711 458935979 /nfs/dbraw/zinc/93/59/79/458935979.db2.gz HENPUOOAYIAILF-SFYCDEOASA-N 1 2 332.473 3.253 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000441452516 458946671 /nfs/dbraw/zinc/94/66/71/458946671.db2.gz WMASSEDFIWUKQY-HKUYNNGSSA-N 1 2 330.472 3.181 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000441452516 458946674 /nfs/dbraw/zinc/94/66/74/458946674.db2.gz WMASSEDFIWUKQY-HKUYNNGSSA-N 1 2 330.472 3.181 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)Nc2ccc(CC#N)cc2Cl)c2[nH+]ccn21 ZINC000577344347 459019660 /nfs/dbraw/zinc/01/96/60/459019660.db2.gz WTCNUALXAPFQMR-YGRLFVJLSA-N 1 2 329.791 3.430 20 30 EGEDLO COc1cc(C[NH+]2CCN(c3cccc(F)c3F)CC2)ccc1C#N ZINC000442878528 459050036 /nfs/dbraw/zinc/05/00/36/459050036.db2.gz FZLFGAIYHNCRHF-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCCO[C@@H](C(C)C)C2)c1C#N ZINC000590211096 459100688 /nfs/dbraw/zinc/10/06/88/459100688.db2.gz BTKQKOVXNNSRBV-HXUWFJFHSA-N 1 2 338.455 3.299 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCCO[C@@H](C(C)C)C2)c1C#N ZINC000590211096 459100694 /nfs/dbraw/zinc/10/06/94/459100694.db2.gz BTKQKOVXNNSRBV-HXUWFJFHSA-N 1 2 338.455 3.299 20 30 EGEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)sc1-c1ccccc1 ZINC000567483365 459114818 /nfs/dbraw/zinc/11/48/18/459114818.db2.gz XYCUTRQUABCVNJ-SFHVURJKSA-N 1 2 327.453 3.297 20 30 EGEDLO C=CCCCC(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000479522274 459144566 /nfs/dbraw/zinc/14/45/66/459144566.db2.gz AOFXPHNAQDZRLM-UHFFFAOYSA-N 1 2 336.863 3.219 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000579975091 459254978 /nfs/dbraw/zinc/25/49/78/459254978.db2.gz HMSDFJMJQWZRKB-DGCLKSJQSA-N 1 2 343.349 3.044 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000580567262 459261535 /nfs/dbraw/zinc/26/15/35/459261535.db2.gz UCTJHLQEAVKIDC-OAHLLOKOSA-N 1 2 341.459 3.312 20 30 EGEDLO C=CCOC[C@H]([NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1)C(=O)OC ZINC000482438927 459308524 /nfs/dbraw/zinc/30/85/24/459308524.db2.gz NNUQIYCFHAAMQR-WWGRRREGSA-N 1 2 325.836 3.166 20 30 EGEDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)s1 ZINC000591241383 459339625 /nfs/dbraw/zinc/33/96/25/459339625.db2.gz XEMBOZNKMDMJDC-VIFPVBQESA-N 1 2 335.816 3.306 20 30 EGEDLO C=CCCOCCNc1cc(CC)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535986857 459358263 /nfs/dbraw/zinc/35/82/63/459358263.db2.gz HPXQFDRTMLZVBR-UHFFFAOYSA-N 1 2 342.399 3.041 20 30 EGEDLO C=C(CC)C[N@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000483353056 459362682 /nfs/dbraw/zinc/36/26/82/459362682.db2.gz KMEBHMABNWEEGT-UHFFFAOYSA-N 1 2 335.249 3.428 20 30 EGEDLO C=C(CC)C[N@@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000483353056 459362687 /nfs/dbraw/zinc/36/26/87/459362687.db2.gz KMEBHMABNWEEGT-UHFFFAOYSA-N 1 2 335.249 3.428 20 30 EGEDLO Cc1c[nH+]c(C)nc1N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000582430927 459364918 /nfs/dbraw/zinc/36/49/18/459364918.db2.gz MFTXPDXDZUJVIA-HNNXBMFYSA-N 1 2 325.391 3.185 20 30 EGEDLO COC(=O)[C@@H](C)[N@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000483402385 459367049 /nfs/dbraw/zinc/36/70/49/459367049.db2.gz GVXHHIUFDVMVMO-QGZVFWFLSA-N 1 2 336.435 3.380 20 30 EGEDLO COC(=O)[C@@H](C)[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000483402385 459367056 /nfs/dbraw/zinc/36/70/56/459367056.db2.gz GVXHHIUFDVMVMO-QGZVFWFLSA-N 1 2 336.435 3.380 20 30 EGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c1C ZINC000595611545 459367498 /nfs/dbraw/zinc/36/74/98/459367498.db2.gz KPPSHNHXUGZCDN-GOSISDBHSA-N 1 2 338.455 3.176 20 30 EGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](CC#N)C2)c1C ZINC000595611545 459367501 /nfs/dbraw/zinc/36/75/01/459367501.db2.gz KPPSHNHXUGZCDN-GOSISDBHSA-N 1 2 338.455 3.176 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000595619986 459372276 /nfs/dbraw/zinc/37/22/76/459372276.db2.gz IVGSSXJWJLVHCA-GFCCVEGCSA-N 1 2 333.798 3.185 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000595619986 459372280 /nfs/dbraw/zinc/37/22/80/459372280.db2.gz IVGSSXJWJLVHCA-GFCCVEGCSA-N 1 2 333.798 3.185 20 30 EGEDLO Cn1c(C[N@@H+]2CCC[C@@H](CC#N)C2)nnc1-c1ccc(Cl)cc1 ZINC000595619723 459372564 /nfs/dbraw/zinc/37/25/64/459372564.db2.gz GBGPTCRPIQPWNM-ZDUSSCGKSA-N 1 2 329.835 3.261 20 30 EGEDLO Cn1c(C[N@H+]2CCC[C@@H](CC#N)C2)nnc1-c1ccc(Cl)cc1 ZINC000595619723 459372567 /nfs/dbraw/zinc/37/25/67/459372567.db2.gz GBGPTCRPIQPWNM-ZDUSSCGKSA-N 1 2 329.835 3.261 20 30 EGEDLO Fc1ccc(N2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)nc1 ZINC000540420755 459381055 /nfs/dbraw/zinc/38/10/55/459381055.db2.gz CUFJRBXXTOPKAZ-UHFFFAOYSA-N 1 2 329.806 3.048 20 30 EGEDLO N#CCC[C@@H](C#N)C[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000595733248 459418761 /nfs/dbraw/zinc/41/87/61/459418761.db2.gz HVZNRMNEKYGPPY-AWEZNQCLSA-N 1 2 347.260 3.015 20 30 EGEDLO Cc1cccc2[nH+]c(CCNC(=O)N[C@@H](C)c3cccc(C#N)c3)cn21 ZINC000591946246 459493761 /nfs/dbraw/zinc/49/37/61/459493761.db2.gz IXWMILNKIPEJHW-HNNXBMFYSA-N 1 2 347.422 3.117 20 30 EGEDLO CC1CCN(c2ccc(CNc3nc(C#N)c(Cl)s3)c[nH+]2)CC1 ZINC000596080871 459512810 /nfs/dbraw/zinc/51/28/10/459512810.db2.gz OAGZPJBTDCJHBL-UHFFFAOYSA-N 1 2 347.875 3.333 20 30 EGEDLO N#CC[C@]1(O)CC[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000592148583 459537042 /nfs/dbraw/zinc/53/70/42/459537042.db2.gz XBXXTXDROWFWAE-INIZCTEOSA-N 1 2 333.844 3.314 20 30 EGEDLO N#CC[C@]1(O)CC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000592148583 459537048 /nfs/dbraw/zinc/53/70/48/459537048.db2.gz XBXXTXDROWFWAE-INIZCTEOSA-N 1 2 333.844 3.314 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CSc1cc(Cl)ccc1Cl ZINC000562322765 459538072 /nfs/dbraw/zinc/53/80/72/459538072.db2.gz KZSSPGMWZODSDA-AWEZNQCLSA-N 1 2 346.283 3.046 20 30 EGEDLO COc1cc(C[N@H+](CCC#N)C(C)C)cc(OC)c1OCC(F)F ZINC000572285458 459578139 /nfs/dbraw/zinc/57/81/39/459578139.db2.gz OCDXYDPUSAZXCW-UHFFFAOYSA-N 1 2 342.386 3.472 20 30 EGEDLO COc1cc(C[N@@H+](CCC#N)C(C)C)cc(OC)c1OCC(F)F ZINC000572285458 459578143 /nfs/dbraw/zinc/57/81/43/459578143.db2.gz OCDXYDPUSAZXCW-UHFFFAOYSA-N 1 2 342.386 3.472 20 30 EGEDLO C#CC[N@H+](Cc1cnn(CC(F)(F)F)c1)Cc1ccc(F)cc1 ZINC000490898893 459589691 /nfs/dbraw/zinc/58/96/91/459589691.db2.gz MUBHZOXQOFPDHG-UHFFFAOYSA-N 1 2 325.309 3.220 20 30 EGEDLO C#CC[N@@H+](Cc1cnn(CC(F)(F)F)c1)Cc1ccc(F)cc1 ZINC000490898893 459589696 /nfs/dbraw/zinc/58/96/96/459589696.db2.gz MUBHZOXQOFPDHG-UHFFFAOYSA-N 1 2 325.309 3.220 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(-c3ccc(F)cc3)no2)n1 ZINC000491392281 459622282 /nfs/dbraw/zinc/62/22/82/459622282.db2.gz BNHQPCQPIGYWNA-UHFFFAOYSA-N 1 2 338.386 3.333 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(-c3ccc(F)cc3)no2)n1 ZINC000491392281 459622288 /nfs/dbraw/zinc/62/22/88/459622288.db2.gz BNHQPCQPIGYWNA-UHFFFAOYSA-N 1 2 338.386 3.333 20 30 EGEDLO C#C[C@H](C)[N@H+](C)Cc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000491705833 459657995 /nfs/dbraw/zinc/65/79/95/459657995.db2.gz KZNBXDLLJLBMCL-AWEZNQCLSA-N 1 2 327.453 3.086 20 30 EGEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000491705833 459658001 /nfs/dbraw/zinc/65/80/01/459658001.db2.gz KZNBXDLLJLBMCL-AWEZNQCLSA-N 1 2 327.453 3.086 20 30 EGEDLO C#CCN(C(=O)NCc1ccccc1Cn1cc[nH+]c1)C1CCCC1 ZINC000491706177 459658369 /nfs/dbraw/zinc/65/83/69/459658369.db2.gz DLEVVNIBACVHGQ-UHFFFAOYSA-N 1 2 336.439 3.019 20 30 EGEDLO N#Cc1cccc(OC2CCN(c3cc(NCC4CC4)[nH+]cn3)CC2)c1 ZINC000573532664 459691601 /nfs/dbraw/zinc/69/16/01/459691601.db2.gz UQDMVQCXFRZCMP-UHFFFAOYSA-N 1 2 349.438 3.218 20 30 EGEDLO N#Cc1cccc(OC2CCN(c3cc(NCC4CC4)nc[nH+]3)CC2)c1 ZINC000573532664 459691602 /nfs/dbraw/zinc/69/16/02/459691602.db2.gz UQDMVQCXFRZCMP-UHFFFAOYSA-N 1 2 349.438 3.218 20 30 EGEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000573576790 459700267 /nfs/dbraw/zinc/70/02/67/459700267.db2.gz PUYWTCLMOCAEGF-ZBFHGGJFSA-N 1 2 339.443 3.098 20 30 EGEDLO CCOc1ccc(C[NH+]2CCN(C(=O)C(C#N)(CC)CC)CC2)cc1 ZINC000527746232 459722819 /nfs/dbraw/zinc/72/28/19/459722819.db2.gz UXJHAKAPRVLAOJ-UHFFFAOYSA-N 1 2 343.471 3.059 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1ccc(-c2ccccc2F)o1 ZINC000493101447 459733557 /nfs/dbraw/zinc/73/35/57/459733557.db2.gz CNUJZFJXAOPWBO-JARZOMNASA-N 1 2 341.386 3.059 20 30 EGEDLO C=CCCSCCNC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000596715359 459738412 /nfs/dbraw/zinc/73/84/12/459738412.db2.gz DVYDMIJPORBVNZ-OAHLLOKOSA-N 1 2 336.505 3.449 20 30 EGEDLO CC(C)n1cc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)cn1 ZINC000544468984 459762493 /nfs/dbraw/zinc/76/24/93/459762493.db2.gz QNXXYDRSFNKCNY-CYBMUJFWSA-N 1 2 336.399 3.236 20 30 EGEDLO Cc1c2ccc3ccccc3c2oc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000564661474 459775383 /nfs/dbraw/zinc/77/53/83/459775383.db2.gz UIAMWVFFQXHQLD-HXUWFJFHSA-N 1 2 335.407 3.468 20 30 EGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccc(Cl)c(C#N)c1)CCC2 ZINC000544675832 459776758 /nfs/dbraw/zinc/77/67/58/459776758.db2.gz YQRWHMQECQDYAF-CYBMUJFWSA-N 1 2 328.803 3.024 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCN(C2CCCCC2)C1=O ZINC000528509114 459808714 /nfs/dbraw/zinc/80/87/14/459808714.db2.gz RKYNTAVQHCRPKU-IBGZPJMESA-N 1 2 346.471 3.084 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCN(C2CCCCC2)C1=O ZINC000528509114 459808722 /nfs/dbraw/zinc/80/87/22/459808722.db2.gz RKYNTAVQHCRPKU-IBGZPJMESA-N 1 2 346.471 3.084 20 30 EGEDLO N#CCCN(Cc1ccco1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000597025167 459820525 /nfs/dbraw/zinc/82/05/25/459820525.db2.gz XVBNXZHZPBVSDU-GOSISDBHSA-N 1 2 348.406 3.467 20 30 EGEDLO CCC(C#N)(CC)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2[C@H](C)CO ZINC000529469399 459829404 /nfs/dbraw/zinc/82/94/04/459829404.db2.gz SCXNWCZIXSAGAW-GFCCVEGCSA-N 1 2 328.416 3.167 20 30 EGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000597184146 459867211 /nfs/dbraw/zinc/86/72/11/459867211.db2.gz HDOHNTFJZPQMTJ-ZACQAIPSSA-N 1 2 336.439 3.202 20 30 EGEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CC2(C#N)CCCCC2)CC1 ZINC000597247813 459894614 /nfs/dbraw/zinc/89/46/14/459894614.db2.gz DKTCUYJHEOVBKE-QGZVFWFLSA-N 1 2 340.471 3.151 20 30 EGEDLO C=CCCC(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000598523017 459930252 /nfs/dbraw/zinc/93/02/52/459930252.db2.gz WGDCOIIRFWGRNX-UHFFFAOYSA-N 1 2 328.372 3.255 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc2c(cn1)OCCO2 ZINC000602482274 459960411 /nfs/dbraw/zinc/96/04/11/459960411.db2.gz IIPCVXZRUFPLRF-ROUUACIJSA-N 1 2 335.407 3.125 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc2c(cn1)OCCO2 ZINC000602482274 459960416 /nfs/dbraw/zinc/96/04/16/459960416.db2.gz IIPCVXZRUFPLRF-ROUUACIJSA-N 1 2 335.407 3.125 20 30 EGEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000609485048 459969445 /nfs/dbraw/zinc/96/94/45/459969445.db2.gz IFYIGJSYWLLIKG-MRXNPFEDSA-N 1 2 341.377 3.251 20 30 EGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCC3(C#N)CCC3)n2)C1 ZINC000575776777 460003412 /nfs/dbraw/zinc/00/34/12/460003412.db2.gz XJDWOHWLZPFLBI-CYBMUJFWSA-N 1 2 347.488 3.190 20 30 EGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC3(C#N)CCC3)n2)C1 ZINC000575776777 460003419 /nfs/dbraw/zinc/00/34/19/460003419.db2.gz XJDWOHWLZPFLBI-CYBMUJFWSA-N 1 2 347.488 3.190 20 30 EGEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000593987203 460040939 /nfs/dbraw/zinc/04/09/39/460040939.db2.gz OUPCIMISQMQXCG-UHFFFAOYSA-N 1 2 340.858 3.233 20 30 EGEDLO CC[C@H](CC#N)[NH2+]Cc1cc2c(cc1Br)OCCO2 ZINC000594009955 460054767 /nfs/dbraw/zinc/05/47/67/460054767.db2.gz QXRIQYLFQPKSFD-LLVKDONJSA-N 1 2 325.206 3.002 20 30 EGEDLO COCC[N@H+](Cc1ccc(C#N)cn1)Cc1ccc(F)cc1Cl ZINC000576237490 460099146 /nfs/dbraw/zinc/09/91/46/460099146.db2.gz ACGHWPOGHZQGIW-UHFFFAOYSA-N 1 2 333.794 3.394 20 30 EGEDLO COCC[N@@H+](Cc1ccc(C#N)cn1)Cc1ccc(F)cc1Cl ZINC000576237490 460099151 /nfs/dbraw/zinc/09/91/51/460099151.db2.gz ACGHWPOGHZQGIW-UHFFFAOYSA-N 1 2 333.794 3.394 20 30 EGEDLO CC[N@H+](CC(=O)N1CCC[C@@H](CC#N)C1)Cc1ccccc1Cl ZINC000597904876 460102938 /nfs/dbraw/zinc/10/29/38/460102938.db2.gz VAUAFUPLCAEFRH-HNNXBMFYSA-N 1 2 333.863 3.314 20 30 EGEDLO CC[N@@H+](CC(=O)N1CCC[C@@H](CC#N)C1)Cc1ccccc1Cl ZINC000597904876 460102945 /nfs/dbraw/zinc/10/29/45/460102945.db2.gz VAUAFUPLCAEFRH-HNNXBMFYSA-N 1 2 333.863 3.314 20 30 EGEDLO N#Cc1ccc(C(=O)NCc2ccc[nH+]c2N2CCCC2)cc1Cl ZINC000597939753 460120930 /nfs/dbraw/zinc/12/09/30/460120930.db2.gz APQJPHYDOXXZTQ-UHFFFAOYSA-N 1 2 340.814 3.137 20 30 EGEDLO Cc1ccc2[nH+]c(CNC(=O)N[C@@H](C)c3cccc(C#N)c3)cn2c1 ZINC000610355032 460131994 /nfs/dbraw/zinc/13/19/94/460131994.db2.gz FPFXHDBIZCFZAC-AWEZNQCLSA-N 1 2 333.395 3.075 20 30 EGEDLO Cc1cccn2cc(CCNC(=O)N[C@@H](C)c3ccc(C#N)cc3)[nH+]c12 ZINC000610454148 460155749 /nfs/dbraw/zinc/15/57/49/460155749.db2.gz OSZULIKUHRNQTR-HNNXBMFYSA-N 1 2 347.422 3.117 20 30 EGEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000602864694 460164744 /nfs/dbraw/zinc/16/47/44/460164744.db2.gz SOYZKFAFSGYESH-KRWDZBQOSA-N 1 2 335.451 3.217 20 30 EGEDLO Cc1ccc([C@@H](NC(=O)C[NH2+][C@@H](C)CC#N)c2cccs2)cc1 ZINC000602864373 460165100 /nfs/dbraw/zinc/16/51/00/460165100.db2.gz RFMJGWDCFJXKTI-KBXCAEBGSA-N 1 2 327.453 3.154 20 30 EGEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000602865577 460165448 /nfs/dbraw/zinc/16/54/48/460165448.db2.gz WQUWQHOLUAHMEZ-HNNXBMFYSA-N 1 2 331.435 3.379 20 30 EGEDLO C[C@H](CC#N)[NH2+]CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000602864697 460165599 /nfs/dbraw/zinc/16/55/99/460165599.db2.gz SOYZKFAFSGYESH-QGZVFWFLSA-N 1 2 335.451 3.217 20 30 EGEDLO COc1ccc([C@@H]2CCCCCN2C(=O)C[NH2+][C@@H](C)CC#N)cc1 ZINC000602868927 460165981 /nfs/dbraw/zinc/16/59/81/460165981.db2.gz KZNQJTABBWBISF-YJBOKZPZSA-N 1 2 329.444 3.031 20 30 EGEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000602868904 460166582 /nfs/dbraw/zinc/16/65/82/460166582.db2.gz KYMNVWFKONEHLM-AWEZNQCLSA-N 1 2 339.443 3.000 20 30 EGEDLO N#Cc1cnc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)nc1 ZINC000576730509 460203194 /nfs/dbraw/zinc/20/31/94/460203194.db2.gz CAFOAZGJWHXVKH-CQSZACIVSA-N 1 2 335.436 3.338 20 30 EGEDLO N#Cc1cnc(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)nc1 ZINC000576730509 460203200 /nfs/dbraw/zinc/20/32/00/460203200.db2.gz CAFOAZGJWHXVKH-CQSZACIVSA-N 1 2 335.436 3.338 20 30 EGEDLO C[C@H](CCC#N)C[N@@H+]1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F ZINC000618887527 460208303 /nfs/dbraw/zinc/20/83/03/460208303.db2.gz CIYOUTFAGJYEPF-IUODEOHRSA-N 1 2 339.361 3.118 20 30 EGEDLO C[C@H](CCC#N)C[N@H+]1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F ZINC000618887527 460208308 /nfs/dbraw/zinc/20/83/08/460208308.db2.gz CIYOUTFAGJYEPF-IUODEOHRSA-N 1 2 339.361 3.118 20 30 EGEDLO COC(=O)c1ccc2c(c1)C[N@@H+](CCCOc1cccc(C#N)c1)C2 ZINC000610786295 460236701 /nfs/dbraw/zinc/23/67/01/460236701.db2.gz VGAJIHUNVJDUJY-UHFFFAOYSA-N 1 2 336.391 3.130 20 30 EGEDLO COC(=O)c1ccc2c(c1)C[N@H+](CCCOc1cccc(C#N)c1)C2 ZINC000610786295 460236704 /nfs/dbraw/zinc/23/67/04/460236704.db2.gz VGAJIHUNVJDUJY-UHFFFAOYSA-N 1 2 336.391 3.130 20 30 EGEDLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000610859303 460249397 /nfs/dbraw/zinc/24/93/97/460249397.db2.gz ITRAMNRKBFHQRR-KRWDZBQOSA-N 1 2 344.455 3.030 20 30 EGEDLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000610859303 460249400 /nfs/dbraw/zinc/24/94/00/460249400.db2.gz ITRAMNRKBFHQRR-KRWDZBQOSA-N 1 2 344.455 3.030 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1 ZINC000599470660 460259369 /nfs/dbraw/zinc/25/93/69/460259369.db2.gz VNSPGXLKLVLMBF-LRDDRELGSA-N 1 2 335.810 3.210 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1 ZINC000599470660 460259373 /nfs/dbraw/zinc/25/93/73/460259373.db2.gz VNSPGXLKLVLMBF-LRDDRELGSA-N 1 2 335.810 3.210 20 30 EGEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)C1(F)F ZINC000599512819 460265132 /nfs/dbraw/zinc/26/51/32/460265132.db2.gz NROCPMWYNKCEQL-PHIMTYICSA-N 1 2 341.789 3.373 20 30 EGEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)C1(F)F ZINC000599512819 460265136 /nfs/dbraw/zinc/26/51/36/460265136.db2.gz NROCPMWYNKCEQL-PHIMTYICSA-N 1 2 341.789 3.373 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+]2CCCc3sccc3C2)c1C#N ZINC000611126875 460293739 /nfs/dbraw/zinc/29/37/39/460293739.db2.gz GVDIOZVGXIQTSP-UHFFFAOYSA-N 1 2 326.421 3.355 20 30 EGEDLO COC(=O)c1cccc(C[N@H+]2CCCc3sccc3C2)c1C#N ZINC000611126875 460293745 /nfs/dbraw/zinc/29/37/45/460293745.db2.gz GVDIOZVGXIQTSP-UHFFFAOYSA-N 1 2 326.421 3.355 20 30 EGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599647512 460297974 /nfs/dbraw/zinc/29/79/74/460297974.db2.gz PUHJUTVVDOPQAC-INIZCTEOSA-N 1 2 349.434 3.086 20 30 EGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCc2c(O)cccc2C1 ZINC000599647512 460297979 /nfs/dbraw/zinc/29/79/79/460297979.db2.gz PUHJUTVVDOPQAC-INIZCTEOSA-N 1 2 349.434 3.086 20 30 EGEDLO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611174680 460301035 /nfs/dbraw/zinc/30/10/35/460301035.db2.gz ONEVKFKFAHRHFG-SJORKVTESA-N 1 2 342.487 3.058 20 30 EGEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1)C1CC1 ZINC000603855243 460349726 /nfs/dbraw/zinc/34/97/26/460349726.db2.gz JHMVBNMAERSGEP-WMZOPIPTSA-N 1 2 331.847 3.285 20 30 EGEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H]1c1cccc(Cl)c1)C1CC1 ZINC000603855243 460349729 /nfs/dbraw/zinc/34/97/29/460349729.db2.gz JHMVBNMAERSGEP-WMZOPIPTSA-N 1 2 331.847 3.285 20 30 EGEDLO COCC[N@H+](CCC#N)Cc1ccc(Br)c(Cl)c1 ZINC000615787947 460390161 /nfs/dbraw/zinc/39/01/61/460390161.db2.gz UYWPVCDVOPCZDD-UHFFFAOYSA-N 1 2 331.641 3.465 20 30 EGEDLO COCC[N@@H+](CCC#N)Cc1ccc(Br)c(Cl)c1 ZINC000615787947 460390165 /nfs/dbraw/zinc/39/01/65/460390165.db2.gz UYWPVCDVOPCZDD-UHFFFAOYSA-N 1 2 331.641 3.465 20 30 EGEDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000611554073 460397743 /nfs/dbraw/zinc/39/77/43/460397743.db2.gz CXOKXRNLVJCZIM-YPMHNXCESA-N 1 2 325.334 3.160 20 30 EGEDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000611554073 460397747 /nfs/dbraw/zinc/39/77/47/460397747.db2.gz CXOKXRNLVJCZIM-YPMHNXCESA-N 1 2 325.334 3.160 20 30 EGEDLO CCCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccccc1F ZINC000604493639 460434206 /nfs/dbraw/zinc/43/42/06/460434206.db2.gz TUDQHJZFGXNQMJ-LJQANCHMSA-N 1 2 333.451 3.482 20 30 EGEDLO CCCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccccc1F ZINC000604493639 460434211 /nfs/dbraw/zinc/43/42/11/460434211.db2.gz TUDQHJZFGXNQMJ-LJQANCHMSA-N 1 2 333.451 3.482 20 30 EGEDLO C=C1CC[NH+](CC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000659909409 461492527 /nfs/dbraw/zinc/49/25/27/461492527.db2.gz DUUGMEZRLALSEZ-UHFFFAOYSA-N 1 2 334.217 3.160 20 30 EGEDLO C=CCCn1cc(C[NH+]2CCC(OCc3ccccc3)CC2)nn1 ZINC000653477794 461662938 /nfs/dbraw/zinc/66/29/38/461662938.db2.gz GQWPXMNZPLIIDQ-UHFFFAOYSA-N 1 2 326.444 3.035 20 30 EGEDLO COCC[N@H+](CC(=O)c1ccccc1F)Cc1ccc(C#N)cc1 ZINC000639463589 461937649 /nfs/dbraw/zinc/93/76/49/461937649.db2.gz FKCWQAJERRHZDF-UHFFFAOYSA-N 1 2 326.371 3.029 20 30 EGEDLO COCC[N@@H+](CC(=O)c1ccccc1F)Cc1ccc(C#N)cc1 ZINC000639463589 461937658 /nfs/dbraw/zinc/93/76/58/461937658.db2.gz FKCWQAJERRHZDF-UHFFFAOYSA-N 1 2 326.371 3.029 20 30 EGEDLO C=CC[C@H]1CCCN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC000660784704 461969969 /nfs/dbraw/zinc/96/99/69/461969969.db2.gz CYVQTOHIHYTJHB-INIZCTEOSA-N 1 2 326.444 3.183 20 30 EGEDLO CC#CC[C@H](CO)Nc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000645407287 462314204 /nfs/dbraw/zinc/31/42/04/462314204.db2.gz QOTUFWHDMZYSJM-SNVBAGLBSA-N 1 2 337.192 3.323 20 30 EGEDLO N#Cc1cc2c(nc1NCc1cc[nH+]c(N3CCCCC3)c1)CCOC2 ZINC000514993053 467966952 /nfs/dbraw/zinc/96/69/52/467966952.db2.gz NJSZSYGTNFQJMM-UHFFFAOYSA-N 1 2 349.438 3.023 20 30 EGEDLO N#Cc1ccc(F)c(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)c1 ZINC000186481807 534783670 /nfs/dbraw/zinc/78/36/70/534783670.db2.gz ADFGGIINGZAEED-UHFFFAOYSA-N 1 2 346.352 3.459 20 30 EGEDLO C=CCC[C@@H](C(=O)N1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000187495288 527422561 /nfs/dbraw/zinc/42/25/61/527422561.db2.gz KPHOFTOXOOFDON-OAQYLSRUSA-N 1 2 349.478 3.476 20 30 EGEDLO CCOc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000172169286 535504351 /nfs/dbraw/zinc/50/43/51/535504351.db2.gz XEKMIKYXLREHGR-HNNXBMFYSA-N 1 2 337.423 3.416 20 30 EGEDLO CCOc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000172169286 535504359 /nfs/dbraw/zinc/50/43/59/535504359.db2.gz XEKMIKYXLREHGR-HNNXBMFYSA-N 1 2 337.423 3.416 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000246515402 536757231 /nfs/dbraw/zinc/75/72/31/536757231.db2.gz QWDSOPCTWIWNQA-CVEARBPZSA-N 1 2 341.436 3.108 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000246515402 536757237 /nfs/dbraw/zinc/75/72/37/536757237.db2.gz QWDSOPCTWIWNQA-CVEARBPZSA-N 1 2 341.436 3.108 20 30 EGEDLO C[C@@H](NC(=O)N1CCn2c[nH+]cc2C1)C12CC3CC(CC(C3)C1)C2 ZINC000329598368 547501235 /nfs/dbraw/zinc/50/12/35/547501235.db2.gz JJASKWXXOJYCJU-PGBRGIIUSA-N 1 2 328.460 3.218 20 30 EGEDLO C[C@@H]([NH+]=C([O-])N1CCn2c[nH+]cc2C1)C12CC3CC(CC(C3)C1)C2 ZINC000329598368 547501240 /nfs/dbraw/zinc/50/12/40/547501240.db2.gz JJASKWXXOJYCJU-PGBRGIIUSA-N 1 2 328.460 3.218 20 30 EGEDLO CC[C@@H]1OCCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000330299464 547518808 /nfs/dbraw/zinc/51/88/08/547518808.db2.gz IAGCFQPLGHZLJA-ROUUACIJSA-N 1 2 332.444 3.312 20 30 EGEDLO C#CC[C@H](NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000365573165 547777077 /nfs/dbraw/zinc/77/70/77/547777077.db2.gz GVMMANYGLFFSIS-ROUUACIJSA-N 1 2 336.439 3.074 20 30 EGEDLO c1cn(-c2ccc(CN=Nc3nc(-c4ccccc4)no3)cc2)c[nH+]1 ZINC000726739825 574569226 /nfs/dbraw/zinc/56/92/26/574569226.db2.gz UJPFMWXKPLMFLR-UHFFFAOYSA-N 1 2 330.351 3.368 20 30 EGEDLO C#CC[N@H+](Cc1cn(-c2ccccc2)nn1)[C@@H]1CCc2ccccc21 ZINC000726789027 574571683 /nfs/dbraw/zinc/57/16/83/574571683.db2.gz QCBGZWLRDHITHH-OAQYLSRUSA-N 1 2 328.419 3.390 20 30 EGEDLO C#CC[N@@H+](Cc1cn(-c2ccccc2)nn1)[C@@H]1CCc2ccccc21 ZINC000726789027 574571684 /nfs/dbraw/zinc/57/16/84/574571684.db2.gz QCBGZWLRDHITHH-OAQYLSRUSA-N 1 2 328.419 3.390 20 30 EGEDLO C[C@@H]1CN(c2ccccc2C=[NH+]Nc2ccnc3ccccc32)CCO1 ZINC000730146370 574925661 /nfs/dbraw/zinc/92/56/61/574925661.db2.gz SQXGDJUWDJFYNS-MRXNPFEDSA-N 1 2 346.434 3.328 20 30 EGEDLO COc1ccc(O)c(/C=[NH+]/CCc2c(OC)cc(OC)cc2OC)c1 ZINC000730952575 575037271 /nfs/dbraw/zinc/03/72/71/575037271.db2.gz ZIWASSXUGIQNEG-UDWIEESQSA-N 1 2 345.395 3.088 20 30 EGEDLO O=C1c2cc(F)ccc2OC/C1=C\c1[nH+]ccn1CC(F)(F)F ZINC000731565170 575080829 /nfs/dbraw/zinc/08/08/29/575080829.db2.gz HDGSADQKVINDCC-WEVVVXLNSA-N 1 2 326.249 3.243 20 30 EGEDLO C=CC1CC[NH+](Cn2nnn(-c3ccc(C)c(C)c3)c2=S)CC1 ZINC000732181364 575241701 /nfs/dbraw/zinc/24/17/01/575241701.db2.gz RRDCFGIGJGAASX-UHFFFAOYSA-N 1 2 329.473 3.271 20 30 EGEDLO CC1CCC(N(C(=O)CO[NH+]=C(N)c2ccc(F)cc2)C2CC2)CC1 ZINC000733304238 575324664 /nfs/dbraw/zinc/32/46/64/575324664.db2.gz IPKHNJSQSSOTRA-UHFFFAOYSA-N 1 2 347.434 3.032 20 30 EGEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cccnc1Cl ZINC000735426515 575659890 /nfs/dbraw/zinc/65/98/90/575659890.db2.gz RAUBYYHEXVCNQW-UHFFFAOYSA-N 1 2 340.818 3.103 20 30 EGEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cccnc1Cl ZINC000735426515 575659891 /nfs/dbraw/zinc/65/98/91/575659891.db2.gz RAUBYYHEXVCNQW-UHFFFAOYSA-N 1 2 340.818 3.103 20 30 EGEDLO Fc1ccc(N[NH+]=Cc2sc(N3CCCC3)nc2Cl)nc1 ZINC000735971655 575742766 /nfs/dbraw/zinc/74/27/66/575742766.db2.gz PSSWBKSDNYJJOE-UHFFFAOYSA-N 1 2 325.800 3.377 20 30 EGEDLO CCOc1cc(CCC/[NH+]=C/c2ccc(O)c(O)c2O)ccc1OC ZINC000735978545 575746936 /nfs/dbraw/zinc/74/69/36/575746936.db2.gz HYLSHEDOUUDFBO-UDWIEESQSA-N 1 2 345.395 3.262 20 30 EGEDLO CC(C)OCCC[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000740881486 576633222 /nfs/dbraw/zinc/63/32/22/576633222.db2.gz WYAUHDQFUPJTJW-AWEZNQCLSA-N 1 2 345.468 3.219 20 30 EGEDLO CC(C)OCCC[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000740881486 576633224 /nfs/dbraw/zinc/63/32/24/576633224.db2.gz WYAUHDQFUPJTJW-AWEZNQCLSA-N 1 2 345.468 3.219 20 30 EGEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)c2ccccc2C1=O ZINC000054515877 1291755454 /nfs/dbraw/zinc/75/54/54/1291755454.db2.gz UCWDFVKGHKOGPS-UHFFFAOYSA-N 1 2 333.391 3.024 20 30 EGEDLO CCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)c2ccccc2C1=O ZINC000054515877 1291755456 /nfs/dbraw/zinc/75/54/56/1291755456.db2.gz UCWDFVKGHKOGPS-UHFFFAOYSA-N 1 2 333.391 3.024 20 30 EGEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000063281000 1292005144 /nfs/dbraw/zinc/00/51/44/1292005144.db2.gz ZYUIEBYSVWEXEK-UHFFFAOYSA-N 1 2 347.378 3.462 20 30 EGEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000063281000 1292005151 /nfs/dbraw/zinc/00/51/51/1292005151.db2.gz ZYUIEBYSVWEXEK-UHFFFAOYSA-N 1 2 347.378 3.462 20 30 EGEDLO NC(Cc1ccccc1)=[NH+]OCc1cc(Cl)c2c(c1)OCCO2 ZINC000072001861 1292273056 /nfs/dbraw/zinc/27/30/56/1292273056.db2.gz LCCSBBRATJALPU-UHFFFAOYSA-N 1 2 332.787 3.143 20 30 EGEDLO Cc1ccc(NC(=O)CO[NH+]=C(N)Cc2ccccc2)c(Cl)c1 ZINC000072001964 1292273110 /nfs/dbraw/zinc/27/31/10/1292273110.db2.gz GHSRXNFGFQYFNR-UHFFFAOYSA-N 1 2 331.803 3.118 20 30 EGEDLO NC(Cc1ccc(Cl)cc1)=[NH+]OCc1nc(-c2ccsc2)no1 ZINC000112970329 1293137700 /nfs/dbraw/zinc/13/77/00/1293137700.db2.gz ARZJQNSKFKQNRO-UHFFFAOYSA-N 1 2 348.815 3.483 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000834889678 1293164483 /nfs/dbraw/zinc/16/44/83/1293164483.db2.gz WNVOVGABJQTJAH-CKLFPEKLSA-N 1 2 330.197 3.288 20 30 EGEDLO Cc1cccc(Cl)c1N[NH+]=Cc1cnc(N2CCOCC2)s1 ZINC000835010548 1293186573 /nfs/dbraw/zinc/18/65/73/1293186573.db2.gz DNTXXKSDEOKZNH-UHFFFAOYSA-N 1 2 336.848 3.388 20 30 EGEDLO CC(C)(CCC#N)COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835386373 1293280263 /nfs/dbraw/zinc/28/02/63/1293280263.db2.gz JAGXWOLTKQTGLY-UHFFFAOYSA-N 1 2 342.355 3.267 20 30 EGEDLO NC(Cc1cccnc1)=[NH+]OCc1cccc(OCC(F)(F)F)c1 ZINC000137635651 1293831265 /nfs/dbraw/zinc/83/12/65/1293831265.db2.gz JHWPGMRTAOEUJU-UHFFFAOYSA-N 1 2 339.317 3.054 20 30 EGEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+](C)CC2CC2)c1=S ZINC000194002789 1295932082 /nfs/dbraw/zinc/93/20/82/1295932082.db2.gz DOFZWWLPNXMGSE-UHFFFAOYSA-N 1 2 328.485 3.490 20 30 EGEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+](C)CC2CC2)c1=S ZINC000194002789 1295932089 /nfs/dbraw/zinc/93/20/89/1295932089.db2.gz DOFZWWLPNXMGSE-UHFFFAOYSA-N 1 2 328.485 3.490 20 30 EGEDLO Cc1ccccc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000586062005 1298047073 /nfs/dbraw/zinc/04/70/73/1298047073.db2.gz CIUBAYSVEBMGBW-IBGZPJMESA-N 1 2 333.435 3.261 20 30 EGEDLO Cc1ccccc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000586062005 1298047077 /nfs/dbraw/zinc/04/70/77/1298047077.db2.gz CIUBAYSVEBMGBW-IBGZPJMESA-N 1 2 333.435 3.261 20 30 EGEDLO C=CC[NH+](CC=C)Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC000876525362 1298806603 /nfs/dbraw/zinc/80/66/03/1298806603.db2.gz CPBRLSBEDWVSCV-UHFFFAOYSA-N 1 2 333.432 3.183 20 30 EGEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@@H]2CCCC2(C)C)CC1=O ZINC000749935753 1299302916 /nfs/dbraw/zinc/30/29/16/1299302916.db2.gz UGCVSOHOWASFJO-MRXNPFEDSA-N 1 2 338.455 3.225 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000749942594 1299306691 /nfs/dbraw/zinc/30/66/91/1299306691.db2.gz BRRWIELYKNEJMG-OALUTQOASA-N 1 2 328.456 3.432 20 30 EGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000749942594 1299306702 /nfs/dbraw/zinc/30/67/02/1299306702.db2.gz BRRWIELYKNEJMG-OALUTQOASA-N 1 2 328.456 3.432 20 30 EGEDLO C#C[C@](C)(CC)NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000878301154 1299904276 /nfs/dbraw/zinc/90/42/76/1299904276.db2.gz LBCPUWPKBMKXEP-TWOQFEAHSA-N 1 2 343.471 3.219 20 30 EGEDLO Cc1cc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)ccc1Oc1cccnc1 ZINC000753935948 1300045642 /nfs/dbraw/zinc/04/56/42/1300045642.db2.gz QNLVACGMANQXLC-QZTJIDSGSA-N 1 2 349.438 3.376 20 30 EGEDLO C#C[C@H](NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)C(C)(C)C ZINC000878626712 1300115293 /nfs/dbraw/zinc/11/52/93/1300115293.db2.gz GPEDVSWDQAYMJZ-QAPCUYQASA-N 1 2 343.471 3.249 20 30 EGEDLO CN(C)c1ncc(C=[NH+]NCc2ccc(C(F)(F)F)cc2)s1 ZINC000755656259 1300373961 /nfs/dbraw/zinc/37/39/61/1300373961.db2.gz ILRAFFMJJFYAHT-UHFFFAOYSA-N 1 2 328.363 3.352 20 30 EGEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1=S ZINC000755925609 1300416850 /nfs/dbraw/zinc/41/68/50/1300416850.db2.gz SJVQBECUGUHPCO-OAHLLOKOSA-N 1 2 332.448 3.495 20 30 EGEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1=S ZINC000755925609 1300416857 /nfs/dbraw/zinc/41/68/57/1300416857.db2.gz SJVQBECUGUHPCO-OAHLLOKOSA-N 1 2 332.448 3.495 20 30 EGEDLO C=CCCc1ccccc1NC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000879495874 1300564555 /nfs/dbraw/zinc/56/45/55/1300564555.db2.gz YRVXWLVZQKUGEB-QGZVFWFLSA-N 1 2 331.460 3.038 20 30 EGEDLO C=CCCc1ccccc1NC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000879495874 1300564560 /nfs/dbraw/zinc/56/45/60/1300564560.db2.gz YRVXWLVZQKUGEB-QGZVFWFLSA-N 1 2 331.460 3.038 20 30 EGEDLO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756786091 1300566871 /nfs/dbraw/zinc/56/68/71/1300566871.db2.gz IYWSQUHMZFUSHK-VHSXEESVSA-N 1 2 332.213 3.129 20 30 EGEDLO COc1cc(F)ccc1N[NH+]=Cc1ccc(N2CCOCC2)c(F)c1 ZINC000761884144 1301561209 /nfs/dbraw/zinc/56/12/09/1301561209.db2.gz GKWSKAGTSLURBY-UHFFFAOYSA-N 1 2 347.365 3.256 20 30 EGEDLO C#CC[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1)C1CC1 ZINC000763961028 1301990058 /nfs/dbraw/zinc/99/00/58/1301990058.db2.gz XTTJXRSNPKLJPD-FQEVSTJZSA-N 1 2 338.476 3.360 20 30 EGEDLO C#CC[N@H+](CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1)C1CC1 ZINC000763961028 1301990062 /nfs/dbraw/zinc/99/00/62/1301990062.db2.gz XTTJXRSNPKLJPD-FQEVSTJZSA-N 1 2 338.476 3.360 20 30 EGEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2Cc3ccc(Br)cc3C2)cc1 ZINC000765043018 1302188961 /nfs/dbraw/zinc/18/89/61/1302188961.db2.gz JFXSTQQGNBDZOI-KRWDZBQOSA-N 1 2 343.224 3.370 20 30 EGEDLO N#Cc1ccc([C@@H](O)C[N@H+]2Cc3ccc(Br)cc3C2)cc1 ZINC000765043018 1302188965 /nfs/dbraw/zinc/18/89/65/1302188965.db2.gz JFXSTQQGNBDZOI-KRWDZBQOSA-N 1 2 343.224 3.370 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2C[C@@H](C)C[C@@H]2CC)c1=S ZINC000765058816 1302192359 /nfs/dbraw/zinc/19/23/59/1302192359.db2.gz YOZZZGMIPXFIGK-KBPBESRZSA-N 1 2 344.488 3.135 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2C[C@@H](C)C[C@@H]2CC)c1=S ZINC000765058816 1302192364 /nfs/dbraw/zinc/19/23/64/1302192364.db2.gz YOZZZGMIPXFIGK-KBPBESRZSA-N 1 2 344.488 3.135 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)c(OCC)c(Cl)c1 ZINC000767122146 1302587279 /nfs/dbraw/zinc/58/72/79/1302587279.db2.gz AUKWVYDYKFBNRY-AWEZNQCLSA-N 1 2 341.238 3.428 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)c(OCC)c(Cl)c1 ZINC000767122146 1302587292 /nfs/dbraw/zinc/58/72/92/1302587292.db2.gz AUKWVYDYKFBNRY-AWEZNQCLSA-N 1 2 341.238 3.428 20 30 EGEDLO N#CC1CC[NH+](Cc2ccccc2I)CC1 ZINC000769192716 1303067381 /nfs/dbraw/zinc/06/73/81/1303067381.db2.gz XDNODTLHPCBHOJ-UHFFFAOYSA-N 1 2 326.181 3.027 20 30 EGEDLO CCN(CC)c1ncc(C=[NH+]Nc2ccc(F)c([N+](=O)[O-])c2)s1 ZINC000769829133 1303181852 /nfs/dbraw/zinc/18/18/52/1303181852.db2.gz AZXHDSMFIPAUDA-UHFFFAOYSA-N 1 2 337.380 3.483 20 30 EGEDLO NC(=[NH+]OCC1CCCC1)c1ccc(OCc2cccnc2)cc1 ZINC000771865885 1303451976 /nfs/dbraw/zinc/45/19/76/1303451976.db2.gz ZTJUSQHCXWXTDL-UHFFFAOYSA-N 1 2 325.412 3.488 20 30 EGEDLO C#C[C@H]([NH2+]Cc1csc(Nc2ccccc2C)n1)[C@@H]1CCCO1 ZINC000775800818 1304039445 /nfs/dbraw/zinc/03/94/45/1304039445.db2.gz RDLRPBKSTOFSOG-RDJZCZTQSA-N 1 2 327.453 3.466 20 30 EGEDLO C#CCOc1ccc(Br)cc1CNc1cc[nH+]cc1F ZINC000776265146 1304124259 /nfs/dbraw/zinc/12/42/59/1304124259.db2.gz NKJKXKLWBTVEJW-UHFFFAOYSA-N 1 2 335.176 3.029 20 30 EGEDLO C[C@@H]1[C@@H](C)[N@H+](Cc2cccc(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC000776606580 1304179651 /nfs/dbraw/zinc/17/96/51/1304179651.db2.gz LVJHWNASVCCBOF-HUUCEWRRSA-N 1 2 329.444 3.388 20 30 EGEDLO C[C@@H]1[C@@H](C)[N@@H+](Cc2cccc(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC000776606580 1304179655 /nfs/dbraw/zinc/17/96/55/1304179655.db2.gz LVJHWNASVCCBOF-HUUCEWRRSA-N 1 2 329.444 3.388 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc(OC)c(O)c1 ZINC000778161745 1304407100 /nfs/dbraw/zinc/40/71/00/1304407100.db2.gz NDKYZQLTNABJTA-UHFFFAOYSA-N 1 2 331.799 3.356 20 30 EGEDLO CCCCCC[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2n1C ZINC000778599239 1304472276 /nfs/dbraw/zinc/47/22/76/1304472276.db2.gz SRPHLTWMNASLGK-HNNXBMFYSA-N 1 2 326.444 3.262 20 30 EGEDLO CCCCCC[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2n1C ZINC000778599239 1304472282 /nfs/dbraw/zinc/47/22/82/1304472282.db2.gz SRPHLTWMNASLGK-HNNXBMFYSA-N 1 2 326.444 3.262 20 30 EGEDLO C=CC[N@H+](Cc1cccs1)Cc1cc(Br)nn1C ZINC000787064393 1305686172 /nfs/dbraw/zinc/68/61/72/1305686172.db2.gz ULEIBGHIAHGPNC-UHFFFAOYSA-N 1 2 326.263 3.432 20 30 EGEDLO C=CC[N@@H+](Cc1cccs1)Cc1cc(Br)nn1C ZINC000787064393 1305686174 /nfs/dbraw/zinc/68/61/74/1305686174.db2.gz ULEIBGHIAHGPNC-UHFFFAOYSA-N 1 2 326.263 3.432 20 30 EGEDLO Cc1cccn2c(/C=C\C(=O)c3ccc(C(=O)N(C)C)cc3)c[nH+]c12 ZINC000792924944 1309261031 /nfs/dbraw/zinc/26/10/31/1309261031.db2.gz QHNQJNRUXDRTKW-KHPPLWFESA-N 1 2 333.391 3.241 20 30 EGEDLO C[C@H]1C[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)[C@H]1c1ccccc1 ZINC000793506639 1309387170 /nfs/dbraw/zinc/38/71/70/1309387170.db2.gz XAJIJTABZOQYDN-MGPUTAFESA-N 1 2 333.435 3.249 20 30 EGEDLO C[C@H]1C[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)[C@H]1c1ccccc1 ZINC000793506639 1309387175 /nfs/dbraw/zinc/38/71/75/1309387175.db2.gz XAJIJTABZOQYDN-MGPUTAFESA-N 1 2 333.435 3.249 20 30 EGEDLO C[N@H+](CC(F)F)C1CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000793578770 1309408819 /nfs/dbraw/zinc/40/88/19/1309408819.db2.gz VOWRJMHVQOMXNQ-INIZCTEOSA-N 1 2 349.425 3.262 20 30 EGEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000793578770 1309408825 /nfs/dbraw/zinc/40/88/25/1309408825.db2.gz VOWRJMHVQOMXNQ-INIZCTEOSA-N 1 2 349.425 3.262 20 30 EGEDLO Cn1c(CC#N)nn(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)c1=S ZINC000794622069 1309558351 /nfs/dbraw/zinc/55/83/51/1309558351.db2.gz YHVYTIBHWDUBCC-MRXNPFEDSA-N 1 2 339.468 3.127 20 30 EGEDLO Cn1c(CC#N)nn(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)c1=S ZINC000794622069 1309558357 /nfs/dbraw/zinc/55/83/57/1309558357.db2.gz YHVYTIBHWDUBCC-MRXNPFEDSA-N 1 2 339.468 3.127 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccccc1)CN1C(=O)CN(c2ccccc2)C1=O ZINC000794651963 1309564109 /nfs/dbraw/zinc/56/41/09/1309564109.db2.gz YGSIAMDNHXSLJI-UHFFFAOYSA-N 1 2 349.434 3.491 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccccc1)CN1C(=O)CN(c2ccccc2)C1=O ZINC000794651963 1309564114 /nfs/dbraw/zinc/56/41/14/1309564114.db2.gz YGSIAMDNHXSLJI-UHFFFAOYSA-N 1 2 349.434 3.491 20 30 EGEDLO CN(C)c1ccccc1CN[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000794949901 1309630018 /nfs/dbraw/zinc/63/00/18/1309630018.db2.gz VGRMWNBBVPSVIQ-UHFFFAOYSA-N 1 2 326.444 3.460 20 30 EGEDLO C[C@H](C#N)OCC[N@@H+]1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000795069963 1309661283 /nfs/dbraw/zinc/66/12/83/1309661283.db2.gz UAJRNDLNKBTTLJ-DVOMOZLQSA-N 1 2 342.361 3.396 20 30 EGEDLO C[C@H](C#N)OCC[N@H+]1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000795069963 1309661292 /nfs/dbraw/zinc/66/12/92/1309661292.db2.gz UAJRNDLNKBTTLJ-DVOMOZLQSA-N 1 2 342.361 3.396 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000796453680 1310004637 /nfs/dbraw/zinc/00/46/37/1310004637.db2.gz MBJKOZWIUUUODC-UHFFFAOYSA-N 1 2 348.491 3.461 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000796453680 1310004640 /nfs/dbraw/zinc/00/46/40/1310004640.db2.gz MBJKOZWIUUUODC-UHFFFAOYSA-N 1 2 348.491 3.461 20 30 EGEDLO C#Cc1cncc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000798155820 1310306591 /nfs/dbraw/zinc/30/65/91/1310306591.db2.gz HTNVWXJPMAGEPX-ZDUSSCGKSA-N 1 2 340.452 3.004 20 30 EGEDLO C#Cc1cncc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000798155820 1310306599 /nfs/dbraw/zinc/30/65/99/1310306599.db2.gz HTNVWXJPMAGEPX-ZDUSSCGKSA-N 1 2 340.452 3.004 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000801157089 1310874700 /nfs/dbraw/zinc/87/47/00/1310874700.db2.gz QYDGUYRPCQFSCG-AWEZNQCLSA-N 1 2 345.855 3.500 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000801157089 1310874703 /nfs/dbraw/zinc/87/47/03/1310874703.db2.gz QYDGUYRPCQFSCG-AWEZNQCLSA-N 1 2 345.855 3.500 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)CC2)cc1 ZINC000929363975 1328579632 /nfs/dbraw/zinc/57/96/32/1328579632.db2.gz VECYSCQCKHOPCJ-SLFFLAALSA-N 1 2 337.467 3.029 20 30 EGEDLO Cc1ccc([C@@H](C)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000957373514 1317320874 /nfs/dbraw/zinc/32/08/74/1317320874.db2.gz QWHFQGXMZQLVMF-GOSISDBHSA-N 1 2 347.462 3.315 20 30 EGEDLO O=C1C=C([NH2+]Nc2cc(Br)ccc2F)[C@@H]2CCCCN12 ZINC000901321157 1317404876 /nfs/dbraw/zinc/40/48/76/1317404876.db2.gz UQAIUKSLPVNTOW-ZDUSSCGKSA-N 1 2 340.196 3.141 20 30 EGEDLO C=C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C)nc2C)CC1)c1ccccc1 ZINC000957743976 1317608974 /nfs/dbraw/zinc/60/89/74/1317608974.db2.gz FSVLANSRQNASJG-OAQYLSRUSA-N 1 2 349.478 3.312 20 30 EGEDLO C=C[C@@H](C(=O)N1CC[NH+](Cc2cccnc2C)CC1)c1ccccc1 ZINC000957744325 1317609951 /nfs/dbraw/zinc/60/99/51/1317609951.db2.gz QXSDZMPLGCCVDL-HXUWFJFHSA-N 1 2 335.451 3.004 20 30 EGEDLO CC[C@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1cccc(C#N)c1 ZINC000902958746 1317633757 /nfs/dbraw/zinc/63/37/57/1317633757.db2.gz SLVZTOINIHJLEV-SFHVURJKSA-N 1 2 347.422 3.496 20 30 EGEDLO C#CC[C@@H](OC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccccn1 ZINC000810570119 1318024767 /nfs/dbraw/zinc/02/47/67/1318024767.db2.gz WLKHEPZXYRGHCD-HXUWFJFHSA-N 1 2 345.402 3.177 20 30 EGEDLO Cc1nsc(N2CC[NH+](Cc3c(O)cccc3Cl)CC2)c1C#N ZINC000811513703 1318192074 /nfs/dbraw/zinc/19/20/74/1318192074.db2.gz MQRSBIOTYMHRSW-UHFFFAOYSA-N 1 2 348.859 3.004 20 30 EGEDLO C=CCCOCC(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907815827 1318267189 /nfs/dbraw/zinc/26/71/89/1318267189.db2.gz MWIPWGZFOOCSDY-OAHLLOKOSA-N 1 2 331.460 3.024 20 30 EGEDLO C=CCCOCC(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907815827 1318267196 /nfs/dbraw/zinc/26/71/96/1318267196.db2.gz MWIPWGZFOOCSDY-OAHLLOKOSA-N 1 2 331.460 3.024 20 30 EGEDLO C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000908645824 1318379306 /nfs/dbraw/zinc/37/93/06/1318379306.db2.gz ZFDSKMHAZJKYHM-SFHVURJKSA-N 1 2 337.423 3.071 20 30 EGEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC000960503834 1318612931 /nfs/dbraw/zinc/61/29/31/1318612931.db2.gz VGTXKQLUSAKUTO-UONOGXRCSA-N 1 2 348.516 3.023 20 30 EGEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC000960503834 1318612937 /nfs/dbraw/zinc/61/29/37/1318612937.db2.gz VGTXKQLUSAKUTO-UONOGXRCSA-N 1 2 348.516 3.023 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCN1C(=O)C1=CCCC1 ZINC000960573044 1318706611 /nfs/dbraw/zinc/70/66/11/1318706611.db2.gz PUQRFNYGSIGAFH-LJQANCHMSA-N 1 2 341.430 3.230 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCN1C(=O)C1=CCCC1 ZINC000960573044 1318706616 /nfs/dbraw/zinc/70/66/16/1318706616.db2.gz PUQRFNYGSIGAFH-LJQANCHMSA-N 1 2 341.430 3.230 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)[C@H](C)c1nc(CC)no1 ZINC000960789866 1318891788 /nfs/dbraw/zinc/89/17/88/1318891788.db2.gz ZESUWFHYVLAKGV-HUUCEWRRSA-N 1 2 348.491 3.218 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)[C@H](C)c1nc(CC)no1 ZINC000960789866 1318891808 /nfs/dbraw/zinc/89/18/08/1318891808.db2.gz ZESUWFHYVLAKGV-HUUCEWRRSA-N 1 2 348.491 3.218 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nc(C)oc1C ZINC000960825337 1318950915 /nfs/dbraw/zinc/95/09/15/1318950915.db2.gz HGOCIGRERMWNJO-APWZRJJASA-N 1 2 333.476 3.317 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nc(C)oc1C ZINC000960825337 1318950922 /nfs/dbraw/zinc/95/09/22/1318950922.db2.gz HGOCIGRERMWNJO-APWZRJJASA-N 1 2 333.476 3.317 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1nc(C)cs1 ZINC000960836382 1318967955 /nfs/dbraw/zinc/96/79/55/1318967955.db2.gz FZVYAEVKFAMDLW-MAUKXSAKSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nc(C)cs1 ZINC000960836382 1318967958 /nfs/dbraw/zinc/96/79/58/1318967958.db2.gz FZVYAEVKFAMDLW-MAUKXSAKSA-N 1 2 335.517 3.477 20 30 EGEDLO C=CCC(F)(F)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000815699658 1319045099 /nfs/dbraw/zinc/04/50/99/1319045099.db2.gz DNNXJQUPZWTOOA-UHFFFAOYSA-N 1 2 337.414 3.049 20 30 EGEDLO C#CCC(C)(C)C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000816396870 1319148112 /nfs/dbraw/zinc/14/81/12/1319148112.db2.gz WPCUALBHLJQMSX-HNNXBMFYSA-N 1 2 327.472 3.480 20 30 EGEDLO C#CCC(C)(C)C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000816396870 1319148117 /nfs/dbraw/zinc/14/81/17/1319148117.db2.gz WPCUALBHLJQMSX-HNNXBMFYSA-N 1 2 327.472 3.480 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc(Cl)c(F)cc2O)c1 ZINC000816494133 1319165888 /nfs/dbraw/zinc/16/58/88/1319165888.db2.gz YXFAMEJADKNYQW-UHFFFAOYSA-N 1 2 346.789 3.237 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cc(Cl)c(F)cc2O)c1 ZINC000816494133 1319165894 /nfs/dbraw/zinc/16/58/94/1319165894.db2.gz YXFAMEJADKNYQW-UHFFFAOYSA-N 1 2 346.789 3.237 20 30 EGEDLO O[C@@H]1CCC[C@H]1N[NH+]=Cc1sc(Nc2ccccc2)nc1Cl ZINC000817331654 1319328083 /nfs/dbraw/zinc/32/80/83/1319328083.db2.gz RLGALCBPVOVJDL-VXGBXAGGSA-N 1 2 336.848 3.377 20 30 EGEDLO C[C@@H]1CCC[C@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C1 ZINC000914728551 1319370773 /nfs/dbraw/zinc/37/07/73/1319370773.db2.gz BCMXTDDSGZGJTF-KGLIPLIRSA-N 1 2 338.455 3.225 20 30 EGEDLO Cc1ccc(-c2nn(Cc3ccccc3)cc2C=NNC(N)=[NH2+])cc1C ZINC000915051003 1319414840 /nfs/dbraw/zinc/41/48/40/1319414840.db2.gz QONUUDHZJLDSMN-UHFFFAOYSA-N 1 2 346.438 3.032 20 30 EGEDLO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC000961367040 1319524900 /nfs/dbraw/zinc/52/49/00/1319524900.db2.gz LVVPQCVHIXSOIF-KBPBESRZSA-N 1 2 336.373 3.023 20 30 EGEDLO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC000961367040 1319524906 /nfs/dbraw/zinc/52/49/06/1319524906.db2.gz LVVPQCVHIXSOIF-KBPBESRZSA-N 1 2 336.373 3.023 20 30 EGEDLO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](F)C(F)(F)F)CC2)C1 ZINC000961367040 1319524918 /nfs/dbraw/zinc/52/49/18/1319524918.db2.gz LVVPQCVHIXSOIF-KBPBESRZSA-N 1 2 336.373 3.023 20 30 EGEDLO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](F)C(F)(F)F)CC2)C1 ZINC000961367040 1319524924 /nfs/dbraw/zinc/52/49/24/1319524924.db2.gz LVVPQCVHIXSOIF-KBPBESRZSA-N 1 2 336.373 3.023 20 30 EGEDLO CC(C)n1c[nH+]cc1CN=Nc1nc(-c2ccccn2)nc2c1CCC2 ZINC000819808975 1319790120 /nfs/dbraw/zinc/79/01/20/1319790120.db2.gz XYOZZDIZZOGCPV-UHFFFAOYSA-N 1 2 347.426 3.251 20 30 EGEDLO CC(C)C#CC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000820022953 1319825794 /nfs/dbraw/zinc/82/57/94/1319825794.db2.gz HVHAZPHTMMGXNY-UHFFFAOYSA-N 1 2 338.373 3.009 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NCCc1ccc(NC(C)=O)cc1 ZINC000820651323 1319927389 /nfs/dbraw/zinc/92/73/89/1319927389.db2.gz FIPZTICSIDJIDJ-UHFFFAOYSA-N 1 2 337.423 3.487 20 30 EGEDLO C#C[C@H](CCC)NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000820647861 1319927553 /nfs/dbraw/zinc/92/75/53/1319927553.db2.gz WNQYVYWHSPXCEQ-NZSAHSFTSA-N 1 2 336.439 3.213 20 30 EGEDLO Nc1ccc(/C=C2\COc3ccc(Br)cc3C2=O)c[nH+]1 ZINC000821040273 1319995855 /nfs/dbraw/zinc/99/58/55/1319995855.db2.gz XDTJOKYYSPYTHN-BJMVGYQFSA-N 1 2 331.169 3.085 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@]2(C)CC2(Cl)Cl)c1 ZINC000827434697 1320452737 /nfs/dbraw/zinc/45/27/37/1320452737.db2.gz IQSBPXQDDDMHBN-OAHLLOKOSA-N 1 2 325.239 3.122 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@]2(C)CC2(Cl)Cl)c1 ZINC000827434697 1320452740 /nfs/dbraw/zinc/45/27/40/1320452740.db2.gz IQSBPXQDDDMHBN-OAHLLOKOSA-N 1 2 325.239 3.122 20 30 EGEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)C(=O)OC ZINC000839170364 1320883338 /nfs/dbraw/zinc/88/33/38/1320883338.db2.gz ZXCKGFPYLKUONG-JYJNAYRXSA-N 1 2 339.357 3.496 20 30 EGEDLO CCOc1cc(C#N)cc(Cl)c1OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000844297198 1321586839 /nfs/dbraw/zinc/58/68/39/1321586839.db2.gz JBCQDZSMMFKQOI-NSHDSACASA-N 1 2 333.775 3.364 20 30 EGEDLO C[C@@H](CC(=O)OCc1cc(Br)cc(C#N)c1)n1cc[nH+]c1 ZINC000844502972 1321614076 /nfs/dbraw/zinc/61/40/76/1321614076.db2.gz CVLJQQFMYPVTFL-NSHDSACASA-N 1 2 348.200 3.212 20 30 EGEDLO Cc1c[nH+]c2cc(C(=O)N[C@@](C)(C#N)CCc3ccccc3)ccn12 ZINC000847478300 1321873792 /nfs/dbraw/zinc/87/37/92/1321873792.db2.gz NKNKEZYSNRXKGE-HXUWFJFHSA-N 1 2 332.407 3.288 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 ZINC000849180579 1322094502 /nfs/dbraw/zinc/09/45/02/1322094502.db2.gz QUWZPICYOHEZDN-HNAYVOBHSA-N 1 2 347.418 3.097 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 ZINC000849180579 1322094508 /nfs/dbraw/zinc/09/45/08/1322094508.db2.gz QUWZPICYOHEZDN-HNAYVOBHSA-N 1 2 347.418 3.097 20 30 EGEDLO C=CCn1nnn(C[N@@H+](Cc2ccccc2)CC2CCC2)c1=S ZINC000920084671 1322135416 /nfs/dbraw/zinc/13/54/16/1322135416.db2.gz BFNDURCITFKSAZ-UHFFFAOYSA-N 1 2 329.473 3.255 20 30 EGEDLO C=CCn1nnn(C[N@H+](Cc2ccccc2)CC2CCC2)c1=S ZINC000920084671 1322135421 /nfs/dbraw/zinc/13/54/21/1322135421.db2.gz BFNDURCITFKSAZ-UHFFFAOYSA-N 1 2 329.473 3.255 20 30 EGEDLO C#CCC[N@@H+](CCOC)Cc1c(F)ccc(Br)c1F ZINC000852748892 1323236432 /nfs/dbraw/zinc/23/64/32/1323236432.db2.gz JZVFWWJCHJNGJT-UHFFFAOYSA-N 1 2 332.188 3.199 20 30 EGEDLO C#CCC[N@H+](CCOC)Cc1c(F)ccc(Br)c1F ZINC000852748892 1323236437 /nfs/dbraw/zinc/23/64/37/1323236437.db2.gz JZVFWWJCHJNGJT-UHFFFAOYSA-N 1 2 332.188 3.199 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)c2cccs2)s1 ZINC001024316069 1323300570 /nfs/dbraw/zinc/30/05/70/1323300570.db2.gz HPYOFXWECSEFDH-ZDUSSCGKSA-N 1 2 345.493 3.466 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2cccs2)s1 ZINC001024316069 1323300576 /nfs/dbraw/zinc/30/05/76/1323300576.db2.gz HPYOFXWECSEFDH-ZDUSSCGKSA-N 1 2 345.493 3.466 20 30 EGEDLO Cc1ccoc1C(=O)NC[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC001024331975 1323320359 /nfs/dbraw/zinc/32/03/59/1323320359.db2.gz UYITYQCTLCCGPL-LJQANCHMSA-N 1 2 336.435 3.224 20 30 EGEDLO Cc1ccoc1C(=O)NC[C@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC001024331975 1323320361 /nfs/dbraw/zinc/32/03/61/1323320361.db2.gz UYITYQCTLCCGPL-LJQANCHMSA-N 1 2 336.435 3.224 20 30 EGEDLO Cc1cccc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)n1 ZINC001024333777 1323321276 /nfs/dbraw/zinc/32/12/76/1323321276.db2.gz UHZKSOGFLPWSAF-LJQANCHMSA-N 1 2 348.450 3.046 20 30 EGEDLO Cc1cccc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)n1 ZINC001024333777 1323321280 /nfs/dbraw/zinc/32/12/80/1323321280.db2.gz UHZKSOGFLPWSAF-LJQANCHMSA-N 1 2 348.450 3.046 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1nc(C)sc1C ZINC001024503866 1323451089 /nfs/dbraw/zinc/45/10/89/1323451089.db2.gz FEGUUZRIIFDNKK-CYBMUJFWSA-N 1 2 327.881 3.097 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1nc(C)sc1C ZINC001024503866 1323451091 /nfs/dbraw/zinc/45/10/91/1323451091.db2.gz FEGUUZRIIFDNKK-CYBMUJFWSA-N 1 2 327.881 3.097 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2ccccn2c1 ZINC001024689384 1323605619 /nfs/dbraw/zinc/60/56/19/1323605619.db2.gz FEOCKYAQKOXWJU-KRWDZBQOSA-N 1 2 331.847 3.276 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc2ccccn2c1 ZINC001024689384 1323605627 /nfs/dbraw/zinc/60/56/27/1323605627.db2.gz FEOCKYAQKOXWJU-KRWDZBQOSA-N 1 2 331.847 3.276 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC001024712296 1323617923 /nfs/dbraw/zinc/61/79/23/1323617923.db2.gz TWZYUMGIPVYVKL-WMLDXEAASA-N 1 2 348.874 3.347 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC001024712296 1323617925 /nfs/dbraw/zinc/61/79/25/1323617925.db2.gz TWZYUMGIPVYVKL-WMLDXEAASA-N 1 2 348.874 3.347 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1OCC ZINC001024785777 1323689121 /nfs/dbraw/zinc/68/91/21/1323689121.db2.gz PHMGMJKDHPKSEB-OAHLLOKOSA-N 1 2 336.863 3.422 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1OCC ZINC001024785777 1323689125 /nfs/dbraw/zinc/68/91/25/1323689125.db2.gz PHMGMJKDHPKSEB-OAHLLOKOSA-N 1 2 336.863 3.422 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1nncs1 ZINC001025260041 1324071214 /nfs/dbraw/zinc/07/12/14/1324071214.db2.gz VBMZAZHGCXAGES-HUUCEWRRSA-N 1 2 348.516 3.096 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCCC[C@@H]1[C@H]1CCC[N@H+]1Cc1nncs1 ZINC001025260041 1324071220 /nfs/dbraw/zinc/07/12/20/1324071220.db2.gz VBMZAZHGCXAGES-HUUCEWRRSA-N 1 2 348.516 3.096 20 30 EGEDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1c[nH+]c2n1CCC2 ZINC000853260547 1325073962 /nfs/dbraw/zinc/07/39/62/1325073962.db2.gz YJYUEUZGSJQJMF-UHFFFAOYSA-N 1 2 339.277 3.202 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NCCNC(=O)c1ccc(C)cc1 ZINC000853311560 1325079112 /nfs/dbraw/zinc/07/91/12/1325079112.db2.gz UAQHLTFOQKBNGE-UHFFFAOYSA-N 1 2 337.423 3.024 20 30 EGEDLO C=CC[N@H+](Cn1ncc(Br)c1C1CC1)[C@@H](C)COC ZINC000853535187 1325116933 /nfs/dbraw/zinc/11/69/33/1325116933.db2.gz QMBUAJMGECKQBS-NSHDSACASA-N 1 2 328.254 3.003 20 30 EGEDLO C=CC[N@@H+](Cn1ncc(Br)c1C1CC1)[C@@H](C)COC ZINC000853535187 1325116940 /nfs/dbraw/zinc/11/69/40/1325116940.db2.gz QMBUAJMGECKQBS-NSHDSACASA-N 1 2 328.254 3.003 20 30 EGEDLO CC(=O)N1CCN(c2ccc([NH2+][C@@H](C)CC(C)(C)C#N)cc2)CC1 ZINC000926814675 1327730515 /nfs/dbraw/zinc/73/05/15/1327730515.db2.gz WSXLZXUYAIPRCE-HNNXBMFYSA-N 1 2 328.460 3.095 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)C(=C)C)C1 ZINC001027517731 1327788113 /nfs/dbraw/zinc/78/81/13/1327788113.db2.gz HIWSISNYAXHLJB-CQSZACIVSA-N 1 2 343.309 3.420 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)C(=C)C)C1 ZINC001027517731 1327788118 /nfs/dbraw/zinc/78/81/18/1327788118.db2.gz HIWSISNYAXHLJB-CQSZACIVSA-N 1 2 343.309 3.420 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@H+](C)Cc3cc(C)on3)C2)CC1 ZINC001027559092 1327869171 /nfs/dbraw/zinc/86/91/71/1327869171.db2.gz OFOBAJCJPVRVTA-SFHVURJKSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@@H+](C)Cc3cc(C)on3)C2)CC1 ZINC001027559092 1327869180 /nfs/dbraw/zinc/86/91/80/1327869180.db2.gz OFOBAJCJPVRVTA-SFHVURJKSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]([N@H+](C)Cc2nc(C)c(C)o2)C1 ZINC001027559979 1327873841 /nfs/dbraw/zinc/87/38/41/1327873841.db2.gz LUXOMQIOIMVARI-LPHOPBHVSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]([N@@H+](C)Cc2nc(C)c(C)o2)C1 ZINC001027559979 1327873846 /nfs/dbraw/zinc/87/38/46/1327873846.db2.gz LUXOMQIOIMVARI-LPHOPBHVSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]([N@H+](C)CC(=C)Br)C1 ZINC001027560019 1327875465 /nfs/dbraw/zinc/87/54/65/1327875465.db2.gz NKNINAQDSBMVGF-GOEBONIOSA-N 1 2 343.309 3.420 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]([N@@H+](C)CC(=C)Br)C1 ZINC001027560019 1327875472 /nfs/dbraw/zinc/87/54/72/1327875472.db2.gz NKNINAQDSBMVGF-GOEBONIOSA-N 1 2 343.309 3.420 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(F)cc2ccncc21 ZINC001027883909 1328351862 /nfs/dbraw/zinc/35/18/62/1328351862.db2.gz DURWQFIYXKRTRO-OAHLLOKOSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)cc2ccncc21 ZINC001027883909 1328351867 /nfs/dbraw/zinc/35/18/67/1328351867.db2.gz DURWQFIYXKRTRO-OAHLLOKOSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccnc(CCC)c2)C1 ZINC000966876704 1328448912 /nfs/dbraw/zinc/44/89/12/1328448912.db2.gz YYZPHFYZRUZVTN-SUMWQHHRSA-N 1 2 335.879 3.227 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccnc(CCC)c2)C1 ZINC000966876704 1328448916 /nfs/dbraw/zinc/44/89/16/1328448916.db2.gz YYZPHFYZRUZVTN-SUMWQHHRSA-N 1 2 335.879 3.227 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)ccc1F ZINC001028010846 1328473613 /nfs/dbraw/zinc/47/36/13/1328473613.db2.gz FDZSEGCHHVEPQG-LBPRGKRZSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)ccc1F ZINC001028010846 1328473618 /nfs/dbraw/zinc/47/36/18/1328473618.db2.gz FDZSEGCHHVEPQG-LBPRGKRZSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C)nc1C(C)C ZINC001028055642 1328521402 /nfs/dbraw/zinc/52/14/02/1328521402.db2.gz ZNSIKWPCDVZCHP-HNNXBMFYSA-N 1 2 335.879 3.460 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C)nc1C(C)C ZINC001028055642 1328521404 /nfs/dbraw/zinc/52/14/04/1328521404.db2.gz ZNSIKWPCDVZCHP-HNNXBMFYSA-N 1 2 335.879 3.460 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](C/C=C\c3ccc(F)cc3F)CC2)cn1 ZINC000862422028 1329485321 /nfs/dbraw/zinc/48/53/21/1329485321.db2.gz OPLAQUJEBDHJEX-UPHRSURJSA-N 1 2 340.377 3.067 20 30 EGEDLO CCO[C@H]1CC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000932973872 1329852271 /nfs/dbraw/zinc/85/22/71/1329852271.db2.gz MEUHPRTVQSCETK-GJZGRUSLSA-N 1 2 347.484 3.130 20 30 EGEDLO CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000932973872 1329852272 /nfs/dbraw/zinc/85/22/72/1329852272.db2.gz MEUHPRTVQSCETK-GJZGRUSLSA-N 1 2 347.484 3.130 20 30 EGEDLO CCn1c[nH+]c2c1CCN(Cc1cc(C#N)ccc1Br)C2 ZINC000933253282 1329874908 /nfs/dbraw/zinc/87/49/08/1329874908.db2.gz CYFIDFWOBOJXTJ-UHFFFAOYSA-N 1 2 345.244 3.095 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cscn3)C[C@H]2C)CC1 ZINC000942600591 1331998121 /nfs/dbraw/zinc/99/81/21/1331998121.db2.gz RTQWHRLLHNZZDW-RHSMWYFYSA-N 1 2 333.501 3.216 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cscn3)C[C@H]2C)CC1 ZINC000942600591 1331998122 /nfs/dbraw/zinc/99/81/22/1331998122.db2.gz RTQWHRLLHNZZDW-RHSMWYFYSA-N 1 2 333.501 3.216 20 30 EGEDLO C#Cc1ccc(C(=O)N2CCC[C@@H](CCNc3cc[nH+]c(C)n3)C2)cc1 ZINC001063290660 1351797857 /nfs/dbraw/zinc/79/78/57/1351797857.db2.gz ITTCAERUSGGXSS-SFHVURJKSA-N 1 2 348.450 3.121 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)C2CCC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC000946972068 1332950004 /nfs/dbraw/zinc/95/00/04/1332950004.db2.gz VXFOPYWOUOFIPV-CRAIPNDOSA-N 1 2 344.886 3.461 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)C2CCC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC000946972068 1332950006 /nfs/dbraw/zinc/95/00/06/1332950006.db2.gz VXFOPYWOUOFIPV-CRAIPNDOSA-N 1 2 344.886 3.461 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccoc1Cl ZINC000948910022 1333729326 /nfs/dbraw/zinc/72/93/26/1333729326.db2.gz GUTIKZDWAMYAEX-QGZVFWFLSA-N 1 2 342.826 3.286 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccoc1Cl ZINC000948910022 1333729329 /nfs/dbraw/zinc/72/93/29/1333729329.db2.gz GUTIKZDWAMYAEX-QGZVFWFLSA-N 1 2 342.826 3.286 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ncc(Cl)s1 ZINC000948936626 1333740929 /nfs/dbraw/zinc/74/09/29/1333740929.db2.gz WCHTVVVDJADZPD-AWEZNQCLSA-N 1 2 347.871 3.312 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ncc(Cl)s1 ZINC000948936626 1333740931 /nfs/dbraw/zinc/74/09/31/1333740931.db2.gz WCHTVVVDJADZPD-AWEZNQCLSA-N 1 2 347.871 3.312 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc2cc[nH]c2c1 ZINC000948965129 1333749871 /nfs/dbraw/zinc/74/98/71/1333749871.db2.gz GCYNZMJKKGKIBN-OAQYLSRUSA-N 1 2 343.430 3.130 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc2cc[nH]c2c1 ZINC000948965129 1333749874 /nfs/dbraw/zinc/74/98/74/1333749874.db2.gz GCYNZMJKKGKIBN-OAQYLSRUSA-N 1 2 343.430 3.130 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc2sccc2[nH]1 ZINC000948978923 1333755024 /nfs/dbraw/zinc/75/50/24/1333755024.db2.gz PIKYGFIGFSDTIR-SFHVURJKSA-N 1 2 349.459 3.192 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc2sccc2[nH]1 ZINC000948978923 1333755027 /nfs/dbraw/zinc/75/50/27/1333755027.db2.gz PIKYGFIGFSDTIR-SFHVURJKSA-N 1 2 349.459 3.192 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1sc(C)nc1C ZINC000948982216 1333757895 /nfs/dbraw/zinc/75/78/95/1333757895.db2.gz IZHMUIRDEZLBGD-KRWDZBQOSA-N 1 2 341.480 3.275 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1sc(C)nc1C ZINC000948982216 1333757896 /nfs/dbraw/zinc/75/78/96/1333757896.db2.gz IZHMUIRDEZLBGD-KRWDZBQOSA-N 1 2 341.480 3.275 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](Cc2cccc(OC)c2C)CC1 ZINC000950051028 1334003053 /nfs/dbraw/zinc/00/30/53/1334003053.db2.gz DZXKTLDIIJPLAM-HXUWFJFHSA-N 1 2 330.472 3.250 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](Cc2ccc(C)c(OC)c2)CC1 ZINC000950051277 1334003117 /nfs/dbraw/zinc/00/31/17/1334003117.db2.gz KJXWFWZZXWBEHX-FQEVSTJZSA-N 1 2 330.472 3.250 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@@H](CC)c2ccc(F)cc2)CC1 ZINC000950597429 1334094470 /nfs/dbraw/zinc/09/44/70/1334094470.db2.gz PGGRTKDDLYTPSZ-QYZOEREBSA-N 1 2 346.446 3.012 20 30 EGEDLO C=CCOc1ccc(C(=O)N(CC)C2C[NH+](CC=C(C)C)C2)cc1 ZINC000950645484 1334102997 /nfs/dbraw/zinc/10/29/97/1334102997.db2.gz ODGIWQOQXRSBOE-UHFFFAOYSA-N 1 2 328.456 3.364 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC000951700284 1334300895 /nfs/dbraw/zinc/30/08/95/1334300895.db2.gz XLIDLPIVFSRWNY-MNEFBYGVSA-N 1 2 346.446 3.012 20 30 EGEDLO C#CCOc1ccc(C(=O)N(CC)C2C[NH+](Cc3ccccc3)C2)cc1 ZINC000952415435 1334453288 /nfs/dbraw/zinc/45/32/88/1334453288.db2.gz QQDQJEZTOPEANQ-UHFFFAOYSA-N 1 2 348.446 3.045 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)n(CC)c2C)C1 ZINC000967273400 1335683308 /nfs/dbraw/zinc/68/33/08/1335683308.db2.gz LOEVOTIPBBVFKU-PXAZEXFGSA-N 1 2 337.895 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)n(CC)c2C)C1 ZINC000967273400 1335683309 /nfs/dbraw/zinc/68/33/09/1335683309.db2.gz LOEVOTIPBBVFKU-PXAZEXFGSA-N 1 2 337.895 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2cc(C)ccc2C)C1 ZINC000968177990 1335867004 /nfs/dbraw/zinc/86/70/04/1335867004.db2.gz QYVDUENVDBFNDA-YJBOKZPZSA-N 1 2 334.891 3.425 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2cc(C)ccc2C)C1 ZINC000968177990 1335867005 /nfs/dbraw/zinc/86/70/05/1335867005.db2.gz QYVDUENVDBFNDA-YJBOKZPZSA-N 1 2 334.891 3.425 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2C[N@@H+](Cc3cc(C)on3)CC[C@H]2C)CC1 ZINC000968190380 1335868270 /nfs/dbraw/zinc/86/82/70/1335868270.db2.gz KHHZELYHNJGWEV-KDOFPFPSSA-N 1 2 331.460 3.056 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2C[N@H+](Cc3cc(C)on3)CC[C@H]2C)CC1 ZINC000968190380 1335868273 /nfs/dbraw/zinc/86/82/73/1335868273.db2.gz KHHZELYHNJGWEV-KDOFPFPSSA-N 1 2 331.460 3.056 20 30 EGEDLO Cc1cccc(C(=O)N[C@H](C)C2C[NH+](Cc3ccccc3C#N)C2)c1 ZINC000969227570 1336181403 /nfs/dbraw/zinc/18/14/03/1336181403.db2.gz JKPVXLUQGMDRBW-MRXNPFEDSA-N 1 2 333.435 3.117 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nc(CCCC)no2)C1 ZINC000969564090 1336224768 /nfs/dbraw/zinc/22/47/68/1336224768.db2.gz LYDYPIDTSHDUSJ-LSDHHAIUSA-N 1 2 348.491 3.266 20 30 EGEDLO Cc1coc(C)c1C(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969607120 1336228260 /nfs/dbraw/zinc/22/82/60/1336228260.db2.gz UNGVCCUITXPERY-AWEZNQCLSA-N 1 2 337.423 3.018 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cccc3scnc32)C1 ZINC000969662843 1336234023 /nfs/dbraw/zinc/23/40/23/1336234023.db2.gz DKVKWPKKJKNXMF-NSHDSACASA-N 1 2 335.860 3.099 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([NH2+]Cc2nc(C3CCCC3)no2)C1 ZINC000969831116 1336252320 /nfs/dbraw/zinc/25/23/20/1336252320.db2.gz AOXAZTOJJLKVAE-DNVCBOLYSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC000970365833 1336298750 /nfs/dbraw/zinc/29/87/50/1336298750.db2.gz GKXFBUVDRHZQPA-LBPRGKRZSA-N 1 2 327.255 3.451 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(C)nc3ccccc32)C1 ZINC000970842299 1336338577 /nfs/dbraw/zinc/33/85/77/1336338577.db2.gz ZMIVBUQIXJFUNO-AWEZNQCLSA-N 1 2 343.858 3.346 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2CC[NH+](Cc3coc(C4CC4)n3)CC2)C1 ZINC001005968707 1336431859 /nfs/dbraw/zinc/43/18/59/1336431859.db2.gz JKZSEWDRNJAZHB-UHFFFAOYSA-N 1 2 343.471 3.331 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@]2(C)CC)CC1 ZINC001006223600 1336469976 /nfs/dbraw/zinc/46/99/76/1336469976.db2.gz HRMFHKTYACAVKO-HOCLYGCPSA-N 1 2 343.309 3.254 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3cccs3)C2)cc1F ZINC001006626121 1336541526 /nfs/dbraw/zinc/54/15/26/1336541526.db2.gz QIXAJIJLARMAQA-HNNXBMFYSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3cccs3)C2)cc1F ZINC001006626121 1336541529 /nfs/dbraw/zinc/54/15/29/1336541529.db2.gz QIXAJIJLARMAQA-HNNXBMFYSA-N 1 2 343.427 3.153 20 30 EGEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1ccsc1 ZINC001006676194 1336554530 /nfs/dbraw/zinc/55/45/30/1336554530.db2.gz GNXABBZPLNURSW-SFHVURJKSA-N 1 2 342.439 3.133 20 30 EGEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)c1ccsc1 ZINC001006676194 1336554534 /nfs/dbraw/zinc/55/45/34/1336554534.db2.gz GNXABBZPLNURSW-SFHVURJKSA-N 1 2 342.439 3.133 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([C@@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001063900212 1352076036 /nfs/dbraw/zinc/07/60/36/1352076036.db2.gz PBXDVMNBWCSHIU-GDBMZVCRSA-N 1 2 330.476 3.426 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)C(F)=C3CCCC3)C2)s1 ZINC001007086641 1336640727 /nfs/dbraw/zinc/64/07/27/1336640727.db2.gz QLGIURVEOZJATK-AWEZNQCLSA-N 1 2 347.459 3.498 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)C(F)=C3CCCC3)C2)s1 ZINC001007086641 1336640729 /nfs/dbraw/zinc/64/07/29/1336640729.db2.gz QLGIURVEOZJATK-AWEZNQCLSA-N 1 2 347.459 3.498 20 30 EGEDLO C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1)C1CCC1 ZINC001007593361 1336673273 /nfs/dbraw/zinc/67/32/73/1336673273.db2.gz FESYPJMPVXNJSZ-KSSFIOAISA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1)C1CCC1 ZINC001007593361 1336673275 /nfs/dbraw/zinc/67/32/75/1336673275.db2.gz FESYPJMPVXNJSZ-KSSFIOAISA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1)C1CCC1 ZINC001007593347 1336673365 /nfs/dbraw/zinc/67/33/65/1336673365.db2.gz FESYPJMPVXNJSZ-KBXCAEBGSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1)C1CCC1 ZINC001007593347 1336673368 /nfs/dbraw/zinc/67/33/68/1336673368.db2.gz FESYPJMPVXNJSZ-KBXCAEBGSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)CCCC1 ZINC001008103588 1336770136 /nfs/dbraw/zinc/77/01/36/1336770136.db2.gz OFRNRKLUIKULIH-KRWDZBQOSA-N 1 2 343.446 3.358 20 30 EGEDLO CC1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)CCCC1 ZINC001008103588 1336770138 /nfs/dbraw/zinc/77/01/38/1336770138.db2.gz OFRNRKLUIKULIH-KRWDZBQOSA-N 1 2 343.446 3.358 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001008137087 1336777840 /nfs/dbraw/zinc/77/78/40/1336777840.db2.gz UZQMNWMZIUCHNB-CQSZACIVSA-N 1 2 335.810 3.254 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001008137087 1336777844 /nfs/dbraw/zinc/77/78/44/1336777844.db2.gz UZQMNWMZIUCHNB-CQSZACIVSA-N 1 2 335.810 3.254 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCOc3ccccc32)C1 ZINC001008180235 1336785983 /nfs/dbraw/zinc/78/59/83/1336785983.db2.gz YOMDFAORIIEFHU-HOTGVXAUSA-N 1 2 348.874 3.276 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCOc3ccccc32)C1 ZINC001008180235 1336785984 /nfs/dbraw/zinc/78/59/84/1336785984.db2.gz YOMDFAORIIEFHU-HOTGVXAUSA-N 1 2 348.874 3.276 20 30 EGEDLO CC1(C)CC[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001008450989 1336856944 /nfs/dbraw/zinc/85/69/44/1336856944.db2.gz SAYUZGOPPTXAMZ-LPHOPBHVSA-N 1 2 339.483 3.465 20 30 EGEDLO CC1(C)CC[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001008450989 1336856945 /nfs/dbraw/zinc/85/69/45/1336856945.db2.gz SAYUZGOPPTXAMZ-LPHOPBHVSA-N 1 2 339.483 3.465 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001008457860 1336860015 /nfs/dbraw/zinc/86/00/15/1336860015.db2.gz KFRUYSAAABGESJ-ATZDWAIDSA-N 1 2 325.456 3.075 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001008457860 1336860017 /nfs/dbraw/zinc/86/00/17/1336860017.db2.gz KFRUYSAAABGESJ-ATZDWAIDSA-N 1 2 325.456 3.075 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001008589615 1336889745 /nfs/dbraw/zinc/88/97/45/1336889745.db2.gz UYUXKHVKMDHCLR-HSALFYBXSA-N 1 2 339.483 3.321 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001008589615 1336889747 /nfs/dbraw/zinc/88/97/47/1336889747.db2.gz UYUXKHVKMDHCLR-HSALFYBXSA-N 1 2 339.483 3.321 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2(c3cccc(OC)c3)CC2)C1 ZINC001008710270 1336915048 /nfs/dbraw/zinc/91/50/48/1336915048.db2.gz LLOJWIBDOYTWQH-INIZCTEOSA-N 1 2 348.874 3.060 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2(c3cccc(OC)c3)CC2)C1 ZINC001008710270 1336915049 /nfs/dbraw/zinc/91/50/49/1336915049.db2.gz LLOJWIBDOYTWQH-INIZCTEOSA-N 1 2 348.874 3.060 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)c(OC)c2)C1 ZINC001008761679 1336921822 /nfs/dbraw/zinc/92/18/22/1336921822.db2.gz QWBYMAHJHIMDOJ-CYBMUJFWSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)c(OC)c2)C1 ZINC001008761679 1336921825 /nfs/dbraw/zinc/92/18/25/1336921825.db2.gz QWBYMAHJHIMDOJ-CYBMUJFWSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)c2ccccc2F)C1 ZINC001008870732 1336934564 /nfs/dbraw/zinc/93/45/64/1336934564.db2.gz QBWDYFCFMYUMLK-AWEZNQCLSA-N 1 2 338.854 3.436 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)c2ccccc2F)C1 ZINC001008870732 1336934566 /nfs/dbraw/zinc/93/45/66/1336934566.db2.gz QBWDYFCFMYUMLK-AWEZNQCLSA-N 1 2 338.854 3.436 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(N(CC)CC)cc2)C1 ZINC001009324533 1337007225 /nfs/dbraw/zinc/00/72/25/1337007225.db2.gz OJLLGXBLINENKE-QGZVFWFLSA-N 1 2 349.906 3.480 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N(CC)CC)cc2)C1 ZINC001009324533 1337007228 /nfs/dbraw/zinc/00/72/28/1337007228.db2.gz OJLLGXBLINENKE-QGZVFWFLSA-N 1 2 349.906 3.480 20 30 EGEDLO Cc1ccccc1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001009467593 1337028076 /nfs/dbraw/zinc/02/80/76/1337028076.db2.gz YYEZFHYKASHGEQ-OAQYLSRUSA-N 1 2 347.462 3.190 20 30 EGEDLO Cc1ccccc1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001009467593 1337028080 /nfs/dbraw/zinc/02/80/80/1337028080.db2.gz YYEZFHYKASHGEQ-OAQYLSRUSA-N 1 2 347.462 3.190 20 30 EGEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)C(F)=C1CCCC1 ZINC001010564764 1337223478 /nfs/dbraw/zinc/22/34/78/1337223478.db2.gz CKQLJECISOEPLQ-SFHVURJKSA-N 1 2 344.405 3.165 20 30 EGEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)C(F)=C1CCCC1 ZINC001010564764 1337223481 /nfs/dbraw/zinc/22/34/81/1337223481.db2.gz CKQLJECISOEPLQ-SFHVURJKSA-N 1 2 344.405 3.165 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2[C@@H](CCN2c2nc(C)[nH+]c(C)c2C)C1 ZINC001064031786 1352135557 /nfs/dbraw/zinc/13/55/57/1352135557.db2.gz VEIYYDNDXJEVCO-DLBZAZTESA-N 1 2 342.487 3.041 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2[C@@H](CCN2c2nc(C)[nH+]c(C)c2C)C1 ZINC001064031788 1352135802 /nfs/dbraw/zinc/13/58/02/1352135802.db2.gz VEIYYDNDXJEVCO-IRXDYDNUSA-N 1 2 342.487 3.041 20 30 EGEDLO Cc1csc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)c1 ZINC001014380122 1337759574 /nfs/dbraw/zinc/75/95/74/1337759574.db2.gz ZMQOLDUQYCMOFG-QGZVFWFLSA-N 1 2 342.439 3.051 20 30 EGEDLO Cc1csc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)c1 ZINC001014380122 1337759583 /nfs/dbraw/zinc/75/95/83/1337759583.db2.gz ZMQOLDUQYCMOFG-QGZVFWFLSA-N 1 2 342.439 3.051 20 30 EGEDLO CC(C)(C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1)C1CCCC1 ZINC001014750201 1337897495 /nfs/dbraw/zinc/89/74/95/1337897495.db2.gz VHGFVILQAVLRIK-IBGZPJMESA-N 1 2 339.483 3.465 20 30 EGEDLO CC(C)(C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1)C1CCCC1 ZINC001014750201 1337897500 /nfs/dbraw/zinc/89/75/00/1337897500.db2.gz VHGFVILQAVLRIK-IBGZPJMESA-N 1 2 339.483 3.465 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nsc4ccccc43)C2)C1 ZINC001015676343 1338252364 /nfs/dbraw/zinc/25/23/64/1338252364.db2.gz JWICLOUWJDWBLC-AWEZNQCLSA-N 1 2 341.480 3.343 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nsc4ccccc43)C2)C1 ZINC001015676343 1338252368 /nfs/dbraw/zinc/25/23/68/1338252368.db2.gz JWICLOUWJDWBLC-AWEZNQCLSA-N 1 2 341.480 3.343 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001015728106 1338273920 /nfs/dbraw/zinc/27/39/20/1338273920.db2.gz LXUDGDAGBJJFBP-BPQIPLTHSA-N 1 2 343.446 3.070 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001015728106 1338273922 /nfs/dbraw/zinc/27/39/22/1338273922.db2.gz LXUDGDAGBJJFBP-BPQIPLTHSA-N 1 2 343.446 3.070 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cccc3sccc32)C1 ZINC001015795876 1338315674 /nfs/dbraw/zinc/31/56/74/1338315674.db2.gz YUVGTGMQEQKNNV-CQSZACIVSA-N 1 2 334.872 3.387 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cccc3sccc32)C1 ZINC001015795876 1338315679 /nfs/dbraw/zinc/31/56/79/1338315679.db2.gz YUVGTGMQEQKNNV-CQSZACIVSA-N 1 2 334.872 3.387 20 30 EGEDLO Cc1ccccc1[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001016322001 1338547890 /nfs/dbraw/zinc/54/78/90/1338547890.db2.gz WKLFEJSRJYUQAO-PXNSSMCTSA-N 1 2 347.462 3.361 20 30 EGEDLO Cc1ccccc1[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001016322001 1338547893 /nfs/dbraw/zinc/54/78/93/1338547893.db2.gz WKLFEJSRJYUQAO-PXNSSMCTSA-N 1 2 347.462 3.361 20 30 EGEDLO CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001016432670 1338599846 /nfs/dbraw/zinc/59/98/46/1338599846.db2.gz WLVYPTDNARUVQH-QGZVFWFLSA-N 1 2 339.483 3.321 20 30 EGEDLO CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001016432670 1338599848 /nfs/dbraw/zinc/59/98/48/1338599848.db2.gz WLVYPTDNARUVQH-QGZVFWFLSA-N 1 2 339.483 3.321 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@]2(C)CCc3ccccc3C2)C1 ZINC001016449017 1338605287 /nfs/dbraw/zinc/60/52/87/1338605287.db2.gz YDFYMNRUQDLVDN-PKOBYXMFSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCc3ccccc3C2)C1 ZINC001016449017 1338605290 /nfs/dbraw/zinc/60/52/90/1338605290.db2.gz YDFYMNRUQDLVDN-PKOBYXMFSA-N 1 2 332.875 3.125 20 30 EGEDLO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccsc2)cc1 ZINC001017333434 1339329117 /nfs/dbraw/zinc/32/91/17/1339329117.db2.gz MSMLFNOKGBQTSY-HDICACEKSA-N 1 2 337.448 3.109 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccsc2)cc1 ZINC001017333434 1339329119 /nfs/dbraw/zinc/32/91/19/1339329119.db2.gz MSMLFNOKGBQTSY-HDICACEKSA-N 1 2 337.448 3.109 20 30 EGEDLO C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1CN(C)C ZINC001017594187 1339374809 /nfs/dbraw/zinc/37/48/09/1339374809.db2.gz QBAPAVITBXOYIJ-CALCHBBNSA-N 1 2 347.528 3.065 20 30 EGEDLO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1CN(C)C ZINC001017594187 1339374810 /nfs/dbraw/zinc/37/48/10/1339374810.db2.gz QBAPAVITBXOYIJ-CALCHBBNSA-N 1 2 347.528 3.065 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(-c2ccccc2)c1 ZINC001017600196 1339375538 /nfs/dbraw/zinc/37/55/38/1339375538.db2.gz HQMPPIMKZVMDCR-OYRHEFFESA-N 1 2 345.446 3.061 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(-c2ccccc2)c1 ZINC001017600196 1339375542 /nfs/dbraw/zinc/37/55/42/1339375542.db2.gz HQMPPIMKZVMDCR-OYRHEFFESA-N 1 2 345.446 3.061 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1oc2c(cccc2F)c1C ZINC001017621330 1339378225 /nfs/dbraw/zinc/37/82/25/1339378225.db2.gz MKKQEHCBLRWFQZ-GASCZTMLSA-N 1 2 340.398 3.192 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1oc2c(cccc2F)c1C ZINC001017621330 1339378227 /nfs/dbraw/zinc/37/82/27/1339378227.db2.gz MKKQEHCBLRWFQZ-GASCZTMLSA-N 1 2 340.398 3.192 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001017760695 1339413374 /nfs/dbraw/zinc/41/33/74/1339413374.db2.gz HRSJWSHHNSYHGN-WCIQWLHISA-N 1 2 340.442 3.018 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001017760695 1339413376 /nfs/dbraw/zinc/41/33/76/1339413376.db2.gz HRSJWSHHNSYHGN-WCIQWLHISA-N 1 2 340.442 3.018 20 30 EGEDLO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@]23C[C@@H]2CCCC3)cc1 ZINC001017923725 1339453408 /nfs/dbraw/zinc/45/34/08/1339453408.db2.gz WGXCSUATYSIKSR-KEZQHZCBSA-N 1 2 349.478 3.314 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@]23C[C@@H]2CCCC3)cc1 ZINC001017923725 1339453411 /nfs/dbraw/zinc/45/34/11/1339453411.db2.gz WGXCSUATYSIKSR-KEZQHZCBSA-N 1 2 349.478 3.314 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C(C2CC2)C2CC2)c1 ZINC001018158560 1339518224 /nfs/dbraw/zinc/51/82/24/1339518224.db2.gz XPDYMWNRFPPJRQ-BGYRXZFFSA-N 1 2 349.478 3.170 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C(C2CC2)C2CC2)c1 ZINC001018158560 1339518227 /nfs/dbraw/zinc/51/82/27/1339518227.db2.gz XPDYMWNRFPPJRQ-BGYRXZFFSA-N 1 2 349.478 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)[C@H](C)CO2 ZINC001028092932 1340421403 /nfs/dbraw/zinc/42/14/03/1340421403.db2.gz ZLAHPQVWAMNSMW-DOMZBBRYSA-N 1 2 334.847 3.129 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)[C@H](C)CO2 ZINC001028092932 1340421407 /nfs/dbraw/zinc/42/14/07/1340421407.db2.gz ZLAHPQVWAMNSMW-DOMZBBRYSA-N 1 2 334.847 3.129 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001028196399 1340479686 /nfs/dbraw/zinc/47/96/86/1340479686.db2.gz KABJNPVXMSAESQ-OKZBNKHCSA-N 1 2 332.875 3.432 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001028196399 1340479687 /nfs/dbraw/zinc/47/96/87/1340479687.db2.gz KABJNPVXMSAESQ-OKZBNKHCSA-N 1 2 332.875 3.432 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001028197559 1340480036 /nfs/dbraw/zinc/48/00/36/1340480036.db2.gz LRGKDQBEZGFLME-BPQIPLTHSA-N 1 2 332.875 3.432 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001028197559 1340480039 /nfs/dbraw/zinc/48/00/39/1340480039.db2.gz LRGKDQBEZGFLME-BPQIPLTHSA-N 1 2 332.875 3.432 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CCC=CCC1 ZINC001028317722 1340560578 /nfs/dbraw/zinc/56/05/78/1340560578.db2.gz IAKIXPIECFNRGT-OAHLLOKOSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)C1CCC=CCC1 ZINC001028317722 1340560580 /nfs/dbraw/zinc/56/05/80/1340560580.db2.gz IAKIXPIECFNRGT-OAHLLOKOSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(N(C)CC)cc1 ZINC001028347886 1340587362 /nfs/dbraw/zinc/58/73/62/1340587362.db2.gz FMTADDOROANQNI-QGZVFWFLSA-N 1 2 335.879 3.089 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N(C)CC)cc1 ZINC001028347886 1340587363 /nfs/dbraw/zinc/58/73/63/1340587363.db2.gz FMTADDOROANQNI-QGZVFWFLSA-N 1 2 335.879 3.089 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc2c1OCC2(C)C ZINC001028355901 1340591398 /nfs/dbraw/zinc/59/13/98/1340591398.db2.gz VESWXKIJCPHGEZ-AWEZNQCLSA-N 1 2 348.874 3.303 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc2c1OCC2(C)C ZINC001028355901 1340591403 /nfs/dbraw/zinc/59/14/03/1340591403.db2.gz VESWXKIJCPHGEZ-AWEZNQCLSA-N 1 2 348.874 3.303 20 30 EGEDLO O=C(C1CCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(F)cc1 ZINC001029186843 1340950803 /nfs/dbraw/zinc/95/08/03/1340950803.db2.gz ZUTOFYCLYMHQEU-BGYRXZFFSA-N 1 2 340.442 3.043 20 30 EGEDLO O=C(C1CCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001029186843 1340950804 /nfs/dbraw/zinc/95/08/04/1340950804.db2.gz ZUTOFYCLYMHQEU-BGYRXZFFSA-N 1 2 340.442 3.043 20 30 EGEDLO O=C(C1CC2(CCC2)C1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029431976 1340989032 /nfs/dbraw/zinc/98/90/32/1340989032.db2.gz JQPZWHHDEAETJT-OYRHEFFESA-N 1 2 348.490 3.294 20 30 EGEDLO O=C(C1CC2(CCC2)C1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029431976 1340989034 /nfs/dbraw/zinc/98/90/34/1340989034.db2.gz JQPZWHHDEAETJT-OYRHEFFESA-N 1 2 348.490 3.294 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001029453755 1340993620 /nfs/dbraw/zinc/99/36/20/1340993620.db2.gz KDZDYUDDCXRTBV-SVFBPWRDSA-N 1 2 337.467 3.336 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001029453755 1340993621 /nfs/dbraw/zinc/99/36/21/1340993621.db2.gz KDZDYUDDCXRTBV-SVFBPWRDSA-N 1 2 337.467 3.336 20 30 EGEDLO C=CCOc1ccc(C(=O)NC2C[NH+](Cc3ccc(C)cc3)C2)cc1 ZINC001030541675 1341196165 /nfs/dbraw/zinc/19/61/65/1341196165.db2.gz WGCJHPQIIPMUQH-UHFFFAOYSA-N 1 2 336.435 3.174 20 30 EGEDLO C#Cc1ccc(C(=O)NC2C[NH+]([C@@H](C)c3ccc4c(c3)CCC4)C2)cc1 ZINC001030777328 1341224153 /nfs/dbraw/zinc/22/41/53/1341224153.db2.gz UAYHMJDOIMALSU-INIZCTEOSA-N 1 2 344.458 3.332 20 30 EGEDLO C#Cc1ccc(C(=O)NC2C[NH+](Cc3ccccc3C(C)C)C2)cc1 ZINC001030776854 1341224219 /nfs/dbraw/zinc/22/42/19/1341224219.db2.gz DHRRMBFGBWPAJX-UHFFFAOYSA-N 1 2 332.447 3.406 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C1 ZINC001031673783 1341386713 /nfs/dbraw/zinc/38/67/13/1341386713.db2.gz WUEMZBGNEBFTCH-SJORKVTESA-N 1 2 332.875 3.227 20 30 EGEDLO CCC[C@H]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031795665 1341402839 /nfs/dbraw/zinc/40/28/39/1341402839.db2.gz VUMZSFIQUWTZBR-PXNSSMCTSA-N 1 2 339.483 3.323 20 30 EGEDLO CC[C@H]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031953501 1341430847 /nfs/dbraw/zinc/43/08/47/1341430847.db2.gz LHZAHWORFUHBPV-WMZOPIPTSA-N 1 2 343.446 3.072 20 30 EGEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1ccsc1Cl ZINC001032027977 1341442108 /nfs/dbraw/zinc/44/21/08/1341442108.db2.gz ATUUXADKCQNXBL-UHFFFAOYSA-N 1 2 344.867 3.115 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOc1ccccc1Cl ZINC001032560872 1341540817 /nfs/dbraw/zinc/54/08/17/1341540817.db2.gz SWIFPVCGLBNBIU-GJZGRUSLSA-N 1 2 348.874 3.216 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOc1ccccc1Cl ZINC001032560872 1341540819 /nfs/dbraw/zinc/54/08/19/1341540819.db2.gz SWIFPVCGLBNBIU-GJZGRUSLSA-N 1 2 348.874 3.216 20 30 EGEDLO CC1(C)CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032573759 1341545987 /nfs/dbraw/zinc/54/59/87/1341545987.db2.gz SBOITTJQAZNFQT-FHWLQOOXSA-N 1 2 337.467 3.170 20 30 EGEDLO CC1(C)CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032573759 1341545988 /nfs/dbraw/zinc/54/59/88/1341545988.db2.gz SBOITTJQAZNFQT-FHWLQOOXSA-N 1 2 337.467 3.170 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2oc(CC)nc2C)CC1 ZINC001032606752 1341556416 /nfs/dbraw/zinc/55/64/16/1341556416.db2.gz ZVVWJZXUYOQIDR-IRXDYDNUSA-N 1 2 343.471 3.077 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2oc(CC)nc2C)CC1 ZINC001032606752 1341556417 /nfs/dbraw/zinc/55/64/17/1341556417.db2.gz ZVVWJZXUYOQIDR-IRXDYDNUSA-N 1 2 343.471 3.077 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOc1ccccc1F ZINC001032607173 1341556889 /nfs/dbraw/zinc/55/68/89/1341556889.db2.gz GHJDORYKXLDMMC-TWOQFEAHSA-N 1 2 346.446 3.092 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOc1ccccc1F ZINC001032607173 1341556890 /nfs/dbraw/zinc/55/68/90/1341556890.db2.gz GHJDORYKXLDMMC-TWOQFEAHSA-N 1 2 346.446 3.092 20 30 EGEDLO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(F)(F)F)s1 ZINC001032812401 1341624788 /nfs/dbraw/zinc/62/47/88/1341624788.db2.gz BPQDKAVEFHKCIR-QWRGUYRKSA-N 1 2 330.375 3.242 20 30 EGEDLO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(F)(F)F)s1 ZINC001032812401 1341624789 /nfs/dbraw/zinc/62/47/89/1341624789.db2.gz BPQDKAVEFHKCIR-QWRGUYRKSA-N 1 2 330.375 3.242 20 30 EGEDLO CN(C(=O)C1CCC1)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001032853876 1341635074 /nfs/dbraw/zinc/63/50/74/1341635074.db2.gz WCPGIPFRVQIEBE-QGZVFWFLSA-N 1 2 330.859 3.024 20 30 EGEDLO CN(C(=O)C1CCC1)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001032853876 1341635075 /nfs/dbraw/zinc/63/50/75/1341635075.db2.gz WCPGIPFRVQIEBE-QGZVFWFLSA-N 1 2 330.859 3.024 20 30 EGEDLO CN(C(=O)c1cccs1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032876533 1341646999 /nfs/dbraw/zinc/64/69/99/1341646999.db2.gz OSRCAJXMFKMBAD-HNNXBMFYSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C(=O)c1cccs1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032876533 1341647001 /nfs/dbraw/zinc/64/70/01/1341647001.db2.gz OSRCAJXMFKMBAD-HNNXBMFYSA-N 1 2 343.427 3.105 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(-c3ccccc3)on2)C1 ZINC001033250349 1341757406 /nfs/dbraw/zinc/75/74/06/1341757406.db2.gz KSIDWXWSMDLSHM-HNNXBMFYSA-N 1 2 345.830 3.240 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(-c3ccccc3)on2)C1 ZINC001033250349 1341757408 /nfs/dbraw/zinc/75/74/08/1341757408.db2.gz KSIDWXWSMDLSHM-HNNXBMFYSA-N 1 2 345.830 3.240 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(F)cc3F)C2)C1 ZINC001033394850 1341811337 /nfs/dbraw/zinc/81/13/37/1341811337.db2.gz AHCUKXIKQHXOGP-MRXNPFEDSA-N 1 2 334.410 3.354 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(F)cc3F)C2)C1 ZINC001033394850 1341811338 /nfs/dbraw/zinc/81/13/38/1341811338.db2.gz AHCUKXIKQHXOGP-MRXNPFEDSA-N 1 2 334.410 3.354 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(F)ccc2Cl)C1 ZINC001033446656 1341827423 /nfs/dbraw/zinc/82/74/23/1341827423.db2.gz MILUIIFNZWOCRT-LBPRGKRZSA-N 1 2 331.218 3.378 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(F)ccc2Cl)C1 ZINC001033446656 1341827424 /nfs/dbraw/zinc/82/74/24/1341827424.db2.gz MILUIIFNZWOCRT-LBPRGKRZSA-N 1 2 331.218 3.378 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2coc3ccccc23)C1 ZINC001033529533 1341859422 /nfs/dbraw/zinc/85/94/22/1341859422.db2.gz NTOYHUWLXSHPIV-HNNXBMFYSA-N 1 2 332.831 3.261 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2coc3ccccc23)C1 ZINC001033529533 1341859426 /nfs/dbraw/zinc/85/94/26/1341859426.db2.gz NTOYHUWLXSHPIV-HNNXBMFYSA-N 1 2 332.831 3.261 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ncc(Cl)cc2Cl)C1 ZINC001033532762 1341861604 /nfs/dbraw/zinc/86/16/04/1341861604.db2.gz UTZAICGIVVKRSP-LLVKDONJSA-N 1 2 348.661 3.287 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ncc(Cl)cc2Cl)C1 ZINC001033532762 1341861605 /nfs/dbraw/zinc/86/16/05/1341861605.db2.gz UTZAICGIVVKRSP-LLVKDONJSA-N 1 2 348.661 3.287 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2(c3ccccc3F)CC2)C1 ZINC001033548811 1341867117 /nfs/dbraw/zinc/86/71/17/1341867117.db2.gz XYHJLIJAARUQSP-CQSZACIVSA-N 1 2 336.838 3.143 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(c3ccccc3F)CC2)C1 ZINC001033548811 1341867119 /nfs/dbraw/zinc/86/71/19/1341867119.db2.gz XYHJLIJAARUQSP-CQSZACIVSA-N 1 2 336.838 3.143 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3ccccc3n2)C1 ZINC001033609408 1341900266 /nfs/dbraw/zinc/90/02/66/1341900266.db2.gz MFDLFXVEZQCYCA-HNNXBMFYSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3ccccc3n2)C1 ZINC001033609408 1341900272 /nfs/dbraw/zinc/90/02/72/1341900272.db2.gz MFDLFXVEZQCYCA-HNNXBMFYSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(Cl)cc2)C1 ZINC001033632267 1341912942 /nfs/dbraw/zinc/91/29/42/1341912942.db2.gz WLJNAMJWYHDAOL-OAHLLOKOSA-N 1 2 327.255 3.168 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(Cl)cc2)C1 ZINC001033632267 1341912944 /nfs/dbraw/zinc/91/29/44/1341912944.db2.gz WLJNAMJWYHDAOL-OAHLLOKOSA-N 1 2 327.255 3.168 20 30 EGEDLO CCN(C(=O)C1CC(C)C1)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033789122 1342007993 /nfs/dbraw/zinc/00/79/93/1342007993.db2.gz LYUBLSSOLZRTTQ-KJXMEXGPSA-N 1 2 343.446 3.166 20 30 EGEDLO CCN(C(=O)C1CC(C)C1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033789122 1342007999 /nfs/dbraw/zinc/00/79/99/1342007999.db2.gz LYUBLSSOLZRTTQ-KJXMEXGPSA-N 1 2 343.446 3.166 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2nc(C(C)C)oc2C)C1 ZINC001033838639 1342035839 /nfs/dbraw/zinc/03/58/39/1342035839.db2.gz YPLJKQDIGOUYEV-CQSZACIVSA-N 1 2 339.867 3.395 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2nc(C(C)C)oc2C)C1 ZINC001033838639 1342035841 /nfs/dbraw/zinc/03/58/41/1342035841.db2.gz YPLJKQDIGOUYEV-CQSZACIVSA-N 1 2 339.867 3.395 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccnc(CCC)c2)C1 ZINC001033862967 1342050373 /nfs/dbraw/zinc/05/03/73/1342050373.db2.gz QDLZOHPOLRFAGL-QGZVFWFLSA-N 1 2 335.879 3.323 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccnc(CCC)c2)C1 ZINC001033862967 1342050376 /nfs/dbraw/zinc/05/03/76/1342050376.db2.gz QDLZOHPOLRFAGL-QGZVFWFLSA-N 1 2 335.879 3.323 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(F)c(F)c2F)C1 ZINC001033939884 1342102077 /nfs/dbraw/zinc/10/20/77/1342102077.db2.gz AJYHQFXFQHZGCE-NSHDSACASA-N 1 2 346.780 3.393 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(F)c(F)c2F)C1 ZINC001033939884 1342102079 /nfs/dbraw/zinc/10/20/79/1342102079.db2.gz AJYHQFXFQHZGCE-NSHDSACASA-N 1 2 346.780 3.393 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3ccccc3O2)C1 ZINC001033991747 1342133978 /nfs/dbraw/zinc/13/39/78/1342133978.db2.gz LMVWLNFFNRDIKG-AEFFLSMTSA-N 1 2 348.874 3.056 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3ccccc3O2)C1 ZINC001033991747 1342133979 /nfs/dbraw/zinc/13/39/79/1342133979.db2.gz LMVWLNFFNRDIKG-AEFFLSMTSA-N 1 2 348.874 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc3nc(C)ccc3o2)C1 ZINC001034028394 1342167376 /nfs/dbraw/zinc/16/73/76/1342167376.db2.gz ZRJFZRGKJPYFHH-CQSZACIVSA-N 1 2 347.846 3.425 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc3nc(C)ccc3o2)C1 ZINC001034028394 1342167377 /nfs/dbraw/zinc/16/73/77/1342167377.db2.gz ZRJFZRGKJPYFHH-CQSZACIVSA-N 1 2 347.846 3.425 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(OCC)cc2)C1 ZINC001034033014 1342171750 /nfs/dbraw/zinc/17/17/50/1342171750.db2.gz UPAIIOHQESRDED-INIZCTEOSA-N 1 2 336.863 3.374 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(OCC)cc2)C1 ZINC001034033014 1342171754 /nfs/dbraw/zinc/17/17/54/1342171754.db2.gz UPAIIOHQESRDED-INIZCTEOSA-N 1 2 336.863 3.374 20 30 EGEDLO CC#CC[N@H+]1CC[C@H](N(CC)C(=O)c2sc(Cl)nc2Cl)C1 ZINC001034042914 1342183372 /nfs/dbraw/zinc/18/33/72/1342183372.db2.gz VQGNHVAICAIYHD-JTQLQIEISA-N 1 2 346.283 3.010 20 30 EGEDLO CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2sc(Cl)nc2Cl)C1 ZINC001034042914 1342183377 /nfs/dbraw/zinc/18/33/77/1342183377.db2.gz VQGNHVAICAIYHD-JTQLQIEISA-N 1 2 346.283 3.010 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cc3ncccc3o2)C1 ZINC001034316865 1342395678 /nfs/dbraw/zinc/39/56/78/1342395678.db2.gz YKVCFZSDWJSAEP-ZDUSSCGKSA-N 1 2 333.819 3.165 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cc3ncccc3o2)C1 ZINC001034316865 1342395679 /nfs/dbraw/zinc/39/56/79/1342395679.db2.gz YKVCFZSDWJSAEP-ZDUSSCGKSA-N 1 2 333.819 3.165 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(F)c(F)cc2F)C1 ZINC001034372800 1342441602 /nfs/dbraw/zinc/44/16/02/1342441602.db2.gz PAQBOZRAMSCZJL-LLVKDONJSA-N 1 2 346.780 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(F)c(F)cc2F)C1 ZINC001034372800 1342441604 /nfs/dbraw/zinc/44/16/04/1342441604.db2.gz PAQBOZRAMSCZJL-LLVKDONJSA-N 1 2 346.780 3.441 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@@H+]([C@@H](C)c3nnc(C)o3)C2)CC1 ZINC001034379912 1342449735 /nfs/dbraw/zinc/44/97/35/1342449735.db2.gz GVZCRJUZGJTXFF-WMLDXEAASA-N 1 2 346.475 3.156 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@H+]([C@@H](C)c3nnc(C)o3)C2)CC1 ZINC001034379912 1342449737 /nfs/dbraw/zinc/44/97/37/1342449737.db2.gz GVZCRJUZGJTXFF-WMLDXEAASA-N 1 2 346.475 3.156 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2sc(CC)nc2C)C1 ZINC001034443368 1342503303 /nfs/dbraw/zinc/50/33/03/1342503303.db2.gz WXGNJWHCATXPPA-CYBMUJFWSA-N 1 2 341.908 3.351 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2sc(CC)nc2C)C1 ZINC001034443368 1342503304 /nfs/dbraw/zinc/50/33/04/1342503304.db2.gz WXGNJWHCATXPPA-CYBMUJFWSA-N 1 2 341.908 3.351 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2sc(CC)nc2C)C1 ZINC001034443369 1342503410 /nfs/dbraw/zinc/50/34/10/1342503410.db2.gz WXGNJWHCATXPPA-ZDUSSCGKSA-N 1 2 341.908 3.351 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2sc(CC)nc2C)C1 ZINC001034443369 1342503411 /nfs/dbraw/zinc/50/34/11/1342503411.db2.gz WXGNJWHCATXPPA-ZDUSSCGKSA-N 1 2 341.908 3.351 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(CCCC)no1 ZINC001035035755 1342889311 /nfs/dbraw/zinc/88/93/11/1342889311.db2.gz PJLXCARZPDDUBO-DNVCBOLYSA-N 1 2 348.491 3.095 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C(C)(C)C)no1 ZINC001035035851 1342889808 /nfs/dbraw/zinc/88/98/08/1342889808.db2.gz SCSSKVXJHPSRPJ-AUUYWEPGSA-N 1 2 348.491 3.050 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C3=CCCC3)cc2)C1 ZINC001035620234 1343103439 /nfs/dbraw/zinc/10/34/39/1343103439.db2.gz ANIHNWFFYQCTHZ-HXUWFJFHSA-N 1 2 340.467 3.261 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(C3=CCCC3)cc2)C1 ZINC001035620234 1343103448 /nfs/dbraw/zinc/10/34/48/1343103448.db2.gz ANIHNWFFYQCTHZ-HXUWFJFHSA-N 1 2 340.467 3.261 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3C=C[C@H]1CC3)CC2 ZINC001035711077 1343145797 /nfs/dbraw/zinc/14/57/97/1343145797.db2.gz KQVLIVSAXFCMRS-IXDOHACOSA-N 1 2 334.891 3.266 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cc3occc3[nH]1)CC2 ZINC001035718954 1343150722 /nfs/dbraw/zinc/15/07/22/1343150722.db2.gz JZYQPLHDBBVXGL-UHFFFAOYSA-N 1 2 333.819 3.051 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H]1C(F)F)CC2 ZINC001035720306 1343151815 /nfs/dbraw/zinc/15/18/15/1343151815.db2.gz HNUFNXXKAGZNPC-KGLIPLIRSA-N 1 2 346.849 3.345 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3CCCC[C@H]13)CC2 ZINC001035755357 1343171939 /nfs/dbraw/zinc/17/19/39/1343171939.db2.gz JZHLPPIABKKWTF-YESZJQIVSA-N 1 2 336.907 3.490 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1occ3c1CCC3)CC2 ZINC001035756965 1343173093 /nfs/dbraw/zinc/17/30/93/1343173093.db2.gz BUSYJDAVGDWJPO-UHFFFAOYSA-N 1 2 334.847 3.059 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)Cc1ccc(F)cc1)CC2 ZINC001035846539 1343227081 /nfs/dbraw/zinc/22/70/81/1343227081.db2.gz FMMNXKZGFMOPFH-UHFFFAOYSA-N 1 2 336.838 3.045 20 30 EGEDLO C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038169184 1344309505 /nfs/dbraw/zinc/30/95/05/1344309505.db2.gz RQLHTNGIUWHONR-PXAZEXFGSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038169184 1344309509 /nfs/dbraw/zinc/30/95/09/1344309509.db2.gz RQLHTNGIUWHONR-PXAZEXFGSA-N 1 2 342.830 3.105 20 30 EGEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001038540003 1344474010 /nfs/dbraw/zinc/47/40/10/1344474010.db2.gz GUQARXLETTZYSD-BURNTYAHSA-N 1 2 336.479 3.055 20 30 EGEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001038540003 1344474012 /nfs/dbraw/zinc/47/40/12/1344474012.db2.gz GUQARXLETTZYSD-BURNTYAHSA-N 1 2 336.479 3.055 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)s1 ZINC001038541808 1344475585 /nfs/dbraw/zinc/47/55/85/1344475585.db2.gz XAWAWBKJHNJKEM-JONQDZQNSA-N 1 2 343.496 3.137 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)s1 ZINC001038541808 1344475588 /nfs/dbraw/zinc/47/55/88/1344475588.db2.gz XAWAWBKJHNJKEM-JONQDZQNSA-N 1 2 343.496 3.137 20 30 EGEDLO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)ccc1F ZINC001038640728 1344516557 /nfs/dbraw/zinc/51/65/57/1344516557.db2.gz LVERASVAICBIMT-SFHVURJKSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)ccc1F ZINC001038640728 1344516560 /nfs/dbraw/zinc/51/65/60/1344516560.db2.gz LVERASVAICBIMT-SFHVURJKSA-N 1 2 337.398 3.010 20 30 EGEDLO CC(C)c1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)nc1 ZINC001038708970 1344549740 /nfs/dbraw/zinc/54/97/40/1344549740.db2.gz VOAMACLBENIDFE-LJQANCHMSA-N 1 2 348.450 3.081 20 30 EGEDLO CC(C)c1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)nc1 ZINC001038708970 1344549741 /nfs/dbraw/zinc/54/97/41/1344549741.db2.gz VOAMACLBENIDFE-LJQANCHMSA-N 1 2 348.450 3.081 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2occ3c2CCCC3)cc1 ZINC001038956248 1344680004 /nfs/dbraw/zinc/68/00/04/1344680004.db2.gz BMYFMCCOAOWCRW-SFHVURJKSA-N 1 2 349.434 3.034 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2occ3c2CCCC3)cc1 ZINC001038956248 1344680011 /nfs/dbraw/zinc/68/00/11/1344680011.db2.gz BMYFMCCOAOWCRW-SFHVURJKSA-N 1 2 349.434 3.034 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)C2CCC=CCC2)cc1F ZINC001039020065 1344718110 /nfs/dbraw/zinc/71/81/10/1344718110.db2.gz VXGIIQYIBVBHTJ-SFHVURJKSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)C2CCC=CCC2)cc1F ZINC001039020065 1344718114 /nfs/dbraw/zinc/71/81/14/1344718114.db2.gz VXGIIQYIBVBHTJ-SFHVURJKSA-N 1 2 341.430 3.134 20 30 EGEDLO CC(C)[C@@H](F)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1 ZINC001039850360 1345210621 /nfs/dbraw/zinc/21/06/21/1345210621.db2.gz XPKWAVDRGKWLMM-CEXWTWQISA-N 1 2 343.446 3.118 20 30 EGEDLO CC(C)[C@@H](F)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1 ZINC001039850360 1345210624 /nfs/dbraw/zinc/21/06/24/1345210624.db2.gz XPKWAVDRGKWLMM-CEXWTWQISA-N 1 2 343.446 3.118 20 30 EGEDLO C#Cc1ccccc1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H](F)CC ZINC001039983312 1345279670 /nfs/dbraw/zinc/27/96/70/1345279670.db2.gz DGSSSVVIKNXIEX-AQNXPRMDSA-N 1 2 342.458 3.024 20 30 EGEDLO C#Cc1ccccc1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H](F)CC ZINC001039983312 1345279671 /nfs/dbraw/zinc/27/96/71/1345279671.db2.gz DGSSSVVIKNXIEX-AQNXPRMDSA-N 1 2 342.458 3.024 20 30 EGEDLO C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001040216797 1345378746 /nfs/dbraw/zinc/37/87/46/1345378746.db2.gz QBAGDPLJLMIIAR-HIFRSBDPSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001040216797 1345378750 /nfs/dbraw/zinc/37/87/50/1345378750.db2.gz QBAGDPLJLMIIAR-HIFRSBDPSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001040216797 1345378753 /nfs/dbraw/zinc/37/87/53/1345378753.db2.gz QBAGDPLJLMIIAR-HIFRSBDPSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001040216797 1345378756 /nfs/dbraw/zinc/37/87/56/1345378756.db2.gz QBAGDPLJLMIIAR-HIFRSBDPSA-N 1 2 336.373 3.168 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@]2(CC[N@H+](C/C(Cl)=C/Cl)C2)C1 ZINC001041544504 1345758897 /nfs/dbraw/zinc/75/88/97/1345758897.db2.gz OEAIFTSLTIEJPR-OVHOFWQVSA-N 1 2 331.287 3.442 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@]2(CC[N@@H+](C/C(Cl)=C/Cl)C2)C1 ZINC001041544504 1345758900 /nfs/dbraw/zinc/75/89/00/1345758900.db2.gz OEAIFTSLTIEJPR-OVHOFWQVSA-N 1 2 331.287 3.442 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3sccc3F)C[C@@H]21 ZINC001042038385 1345929008 /nfs/dbraw/zinc/92/90/08/1345929008.db2.gz MNLVVEHWVDZGEP-YPMHNXCESA-N 1 2 328.840 3.176 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3sccc3F)C[C@@H]21 ZINC001042038385 1345929009 /nfs/dbraw/zinc/92/90/09/1345929009.db2.gz MNLVVEHWVDZGEP-YPMHNXCESA-N 1 2 328.840 3.176 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3occc3Cl)C[C@@H]21 ZINC001042222493 1345993904 /nfs/dbraw/zinc/99/39/04/1345993904.db2.gz UVYMSDDGVZIHRP-YPMHNXCESA-N 1 2 329.227 3.222 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3occc3Cl)C[C@@H]21 ZINC001042222493 1345993905 /nfs/dbraw/zinc/99/39/05/1345993905.db2.gz UVYMSDDGVZIHRP-YPMHNXCESA-N 1 2 329.227 3.222 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ncc(CC)o4)[C@@H]3C2)C1 ZINC001042227379 1345996020 /nfs/dbraw/zinc/99/60/20/1345996020.db2.gz JLYYMDPKZLSHFV-NVXWUHKLSA-N 1 2 343.471 3.016 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](Cc4ncc(CC)o4)[C@@H]3C2)C1 ZINC001042227379 1345996021 /nfs/dbraw/zinc/99/60/21/1345996021.db2.gz JLYYMDPKZLSHFV-NVXWUHKLSA-N 1 2 343.471 3.016 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cscn2)CC1 ZINC001045840566 1346716257 /nfs/dbraw/zinc/71/62/57/1346716257.db2.gz YWCGXYOIFIIMCX-MSOLQXFVSA-N 1 2 345.512 3.455 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2cscn2)CC1 ZINC001045840566 1346716259 /nfs/dbraw/zinc/71/62/59/1346716259.db2.gz YWCGXYOIFIIMCX-MSOLQXFVSA-N 1 2 345.512 3.455 20 30 EGEDLO C[C@]1(NC(=O)c2cccs2)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046116447 1346854175 /nfs/dbraw/zinc/85/41/75/1346854175.db2.gz XKQMGLULSSGALG-SFHVURJKSA-N 1 2 343.427 3.153 20 30 EGEDLO C[C@]1(NC(=O)c2cccs2)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046116447 1346854176 /nfs/dbraw/zinc/85/41/76/1346854176.db2.gz XKQMGLULSSGALG-SFHVURJKSA-N 1 2 343.427 3.153 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccnn2C(CC)CC)C1 ZINC001046375524 1346954853 /nfs/dbraw/zinc/95/48/53/1346954853.db2.gz BBEIAQNRNUWEII-KRWDZBQOSA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccnn2C(CC)CC)C1 ZINC001046375524 1346954854 /nfs/dbraw/zinc/95/48/54/1346954854.db2.gz BBEIAQNRNUWEII-KRWDZBQOSA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc3cc(OC)ccc3[nH]2)C1 ZINC001046586272 1347027052 /nfs/dbraw/zinc/02/70/52/1347027052.db2.gz PGVAZLNPSRPVNV-SFHVURJKSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc3cc(OC)ccc3[nH]2)C1 ZINC001046586272 1347027053 /nfs/dbraw/zinc/02/70/53/1347027053.db2.gz PGVAZLNPSRPVNV-SFHVURJKSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc3ncccc3c2)C1 ZINC001046587139 1347027469 /nfs/dbraw/zinc/02/74/69/1347027469.db2.gz AMYYYXFPCKMWEZ-SFHVURJKSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc3ncccc3c2)C1 ZINC001046587139 1347027471 /nfs/dbraw/zinc/02/74/71/1347027471.db2.gz AMYYYXFPCKMWEZ-SFHVURJKSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C1CCC(C(=O)N[C@]2(C)CC[N@@H+](Cc3nc(C)cs3)C2)CC1 ZINC001046594980 1347031183 /nfs/dbraw/zinc/03/11/83/1347031183.db2.gz UBDAMJHJZCFTDA-GOSISDBHSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C1CCC(C(=O)N[C@]2(C)CC[N@H+](Cc3nc(C)cs3)C2)CC1 ZINC001046594980 1347031186 /nfs/dbraw/zinc/03/11/86/1347031186.db2.gz UBDAMJHJZCFTDA-GOSISDBHSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(F)ccc2Cl)C1 ZINC001046647108 1347047582 /nfs/dbraw/zinc/04/75/82/1347047582.db2.gz RXKORSREXODPQU-OAHLLOKOSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(F)ccc2Cl)C1 ZINC001046647108 1347047583 /nfs/dbraw/zinc/04/75/83/1347047583.db2.gz RXKORSREXODPQU-OAHLLOKOSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2csc(C(C)(C)C)n2)C1 ZINC001046701535 1347066449 /nfs/dbraw/zinc/06/64/49/1347066449.db2.gz JOFKCDSYRVKVGC-MRXNPFEDSA-N 1 2 341.908 3.387 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2csc(C(C)(C)C)n2)C1 ZINC001046701535 1347066451 /nfs/dbraw/zinc/06/64/51/1347066451.db2.gz JOFKCDSYRVKVGC-MRXNPFEDSA-N 1 2 341.908 3.387 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc3cnccc3c2)C1 ZINC001046751989 1347083276 /nfs/dbraw/zinc/08/32/76/1347083276.db2.gz VFVITEIBJMLESY-GOSISDBHSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3cnccc3c2)C1 ZINC001046751989 1347083279 /nfs/dbraw/zinc/08/32/79/1347083279.db2.gz VFVITEIBJMLESY-GOSISDBHSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001046919160 1347153606 /nfs/dbraw/zinc/15/36/06/1347153606.db2.gz PXUHOQXVNXKWDC-KGLIPLIRSA-N 1 2 332.822 3.169 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001046919160 1347153607 /nfs/dbraw/zinc/15/36/07/1347153607.db2.gz PXUHOQXVNXKWDC-KGLIPLIRSA-N 1 2 332.822 3.169 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001046968619 1347170177 /nfs/dbraw/zinc/17/01/77/1347170177.db2.gz KTFOCSMKRHJMSU-IIAWOOMASA-N 1 2 346.849 3.393 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001046968619 1347170179 /nfs/dbraw/zinc/17/01/79/1347170179.db2.gz KTFOCSMKRHJMSU-IIAWOOMASA-N 1 2 346.849 3.393 20 30 EGEDLO CCCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001049280239 1347767420 /nfs/dbraw/zinc/76/74/20/1347767420.db2.gz SLQZNKVSAVYMNJ-ZWKOTPCHSA-N 1 2 329.419 3.063 20 30 EGEDLO CCCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001049280239 1347767421 /nfs/dbraw/zinc/76/74/21/1347767421.db2.gz SLQZNKVSAVYMNJ-ZWKOTPCHSA-N 1 2 329.419 3.063 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ncc(Cl)s1 ZINC001049589621 1347924739 /nfs/dbraw/zinc/92/47/39/1347924739.db2.gz OMYROPRHSGHUMJ-WDEREUQCSA-N 1 2 346.283 3.228 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ncc(Cl)s1 ZINC001049589621 1347924741 /nfs/dbraw/zinc/92/47/41/1347924741.db2.gz OMYROPRHSGHUMJ-WDEREUQCSA-N 1 2 346.283 3.228 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1coc(C2CC2)n1 ZINC001049646026 1347952379 /nfs/dbraw/zinc/95/23/79/1347952379.db2.gz ORVXUFDEWWHPBS-DLBZAZTESA-N 1 2 343.471 3.330 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1coc(C2CC2)n1 ZINC001049646026 1347952381 /nfs/dbraw/zinc/95/23/81/1347952381.db2.gz ORVXUFDEWWHPBS-DLBZAZTESA-N 1 2 343.471 3.330 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1csc(Cl)n1 ZINC001049826001 1348042041 /nfs/dbraw/zinc/04/20/41/1348042041.db2.gz PQPDFBVRZLARDW-NWDGAFQWSA-N 1 2 346.283 3.228 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1csc(Cl)n1 ZINC001049826001 1348042045 /nfs/dbraw/zinc/04/20/45/1348042045.db2.gz PQPDFBVRZLARDW-NWDGAFQWSA-N 1 2 346.283 3.228 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1coc(CC2CC2)n1 ZINC001049825865 1348042124 /nfs/dbraw/zinc/04/21/24/1348042124.db2.gz GEWLQMMIKVNUCV-HOTGVXAUSA-N 1 2 349.862 3.059 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1coc(CC2CC2)n1 ZINC001049825865 1348042126 /nfs/dbraw/zinc/04/21/26/1348042126.db2.gz GEWLQMMIKVNUCV-HOTGVXAUSA-N 1 2 349.862 3.059 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1c(C)nsc1C ZINC001049919078 1348112257 /nfs/dbraw/zinc/11/22/57/1348112257.db2.gz TZDTXFUDDTUJMC-KGLIPLIRSA-N 1 2 339.892 3.191 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1c(C)nsc1C ZINC001049919078 1348112260 /nfs/dbraw/zinc/11/22/60/1348112260.db2.gz TZDTXFUDDTUJMC-KGLIPLIRSA-N 1 2 339.892 3.191 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3nc(Cl)cs3)[C@@H]2C1 ZINC001050124268 1348189359 /nfs/dbraw/zinc/18/93/59/1348189359.db2.gz AWTHCXYYVIRBCH-WDEREUQCSA-N 1 2 346.283 3.085 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)c3nc(Cl)cs3)[C@@H]2C1 ZINC001050124268 1348189362 /nfs/dbraw/zinc/18/93/62/1348189362.db2.gz AWTHCXYYVIRBCH-WDEREUQCSA-N 1 2 346.283 3.085 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(Cl)sc1Cl ZINC001050956645 1348377159 /nfs/dbraw/zinc/37/71/59/1348377159.db2.gz WPLFUGOJQLLTSS-JTQLQIEISA-N 1 2 349.283 3.062 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(Cl)sc1Cl ZINC001050956645 1348377162 /nfs/dbraw/zinc/37/71/62/1348377162.db2.gz WPLFUGOJQLLTSS-JTQLQIEISA-N 1 2 349.283 3.062 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc2cc(C)c(C)cc2o1 ZINC001051210898 1348403696 /nfs/dbraw/zinc/40/36/96/1348403696.db2.gz PLTRMICZMGLDET-QGZVFWFLSA-N 1 2 342.439 3.056 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc2cc(C)c(C)cc2o1 ZINC001051210898 1348403698 /nfs/dbraw/zinc/40/36/98/1348403698.db2.gz PLTRMICZMGLDET-QGZVFWFLSA-N 1 2 342.439 3.056 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C2=CCCC2)cc1 ZINC001051275776 1348414007 /nfs/dbraw/zinc/41/40/07/1348414007.db2.gz WKAWQFLZRFLHFU-FQEVSTJZSA-N 1 2 340.467 3.261 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C2=CCCC2)cc1 ZINC001051275776 1348414009 /nfs/dbraw/zinc/41/40/09/1348414009.db2.gz WKAWQFLZRFLHFU-FQEVSTJZSA-N 1 2 340.467 3.261 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc(C)c(C)cc1Cl)CCO2 ZINC001053370712 1349012323 /nfs/dbraw/zinc/01/23/23/1349012323.db2.gz QTQZGLBBNGGSLP-UHFFFAOYSA-N 1 2 348.874 3.060 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@]1(C)CCC(C)=C(C)C1)CO2 ZINC001054020941 1349131129 /nfs/dbraw/zinc/13/11/29/1349131129.db2.gz XRQQRUSNQAEYFQ-PKOBYXMFSA-N 1 2 332.488 3.049 20 30 EGEDLO O=C(NCc1ccc2c(c1)C[N@H+](CC#Cc1ccc(F)cc1)C2)C1CC1 ZINC001054251855 1349246902 /nfs/dbraw/zinc/24/69/02/1349246902.db2.gz QPPIZLPCKLUHLH-UHFFFAOYSA-N 1 2 348.421 3.219 20 30 EGEDLO O=C(NCc1ccc2c(c1)C[N@@H+](CC#Cc1ccc(F)cc1)C2)C1CC1 ZINC001054251855 1349246908 /nfs/dbraw/zinc/24/69/08/1349246908.db2.gz QPPIZLPCKLUHLH-UHFFFAOYSA-N 1 2 348.421 3.219 20 30 EGEDLO C#Cc1ccc(C(=O)N2CC[C@@H](Nc3cc(C)[nH+]c(C(C)C)n3)C2)cc1 ZINC001056749382 1349931867 /nfs/dbraw/zinc/93/18/67/1349931867.db2.gz IRGXVRVEJIBGLT-GOSISDBHSA-N 1 2 348.450 3.216 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001056997434 1349970999 /nfs/dbraw/zinc/97/09/99/1349970999.db2.gz BLWGLTXIWBJUMA-OAHLLOKOSA-N 1 2 330.476 3.158 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H](CN(C)c2cc[nH+]c(C)n2)C1 ZINC001058703445 1350290376 /nfs/dbraw/zinc/29/03/76/1350290376.db2.gz SVJFTNPQLTXZFD-APWZRJJASA-N 1 2 330.476 3.062 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nsc3ccc(C)cc32)C1 ZINC001080258145 1357538843 /nfs/dbraw/zinc/53/88/43/1357538843.db2.gz RRAKQFOFDKJCPL-BXUZGUMPSA-N 1 2 349.887 3.407 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nsc3ccc(C)cc32)C1 ZINC001080258145 1357538844 /nfs/dbraw/zinc/53/88/44/1357538844.db2.gz RRAKQFOFDKJCPL-BXUZGUMPSA-N 1 2 349.887 3.407 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CC[C@@H](Nc3cc[nH+]c(C)n3)[C@@H]2C1 ZINC001060541466 1350960207 /nfs/dbraw/zinc/96/02/07/1350960207.db2.gz PJOCKSQWWXZVJG-RRFJBIMHSA-N 1 2 348.878 3.213 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3nc(C)cs3)C[C@H]2C)CC1 ZINC001080383697 1357597487 /nfs/dbraw/zinc/59/74/87/1357597487.db2.gz RLPHLMXQABXSKB-CZUORRHYSA-N 1 2 333.501 3.134 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3nc(C)cs3)C[C@H]2C)CC1 ZINC001080383697 1357597491 /nfs/dbraw/zinc/59/74/91/1357597491.db2.gz RLPHLMXQABXSKB-CZUORRHYSA-N 1 2 333.501 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c(C)cccc2Cl)C1 ZINC001080385771 1357597684 /nfs/dbraw/zinc/59/76/84/1357597684.db2.gz KHGNJWAHKUHJDR-BXUZGUMPSA-N 1 2 327.255 3.451 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c(C)cccc2Cl)C1 ZINC001080385771 1357597688 /nfs/dbraw/zinc/59/76/88/1357597688.db2.gz KHGNJWAHKUHJDR-BXUZGUMPSA-N 1 2 327.255 3.451 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CC=C(Cl)Cl)C[C@H]2C)CC1 ZINC001080392727 1357602750 /nfs/dbraw/zinc/60/27/50/1357602750.db2.gz TVIPZMDQWLYPIV-TZMCWYRMSA-N 1 2 331.287 3.488 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](CC=C(Cl)Cl)C[C@H]2C)CC1 ZINC001080392727 1357602753 /nfs/dbraw/zinc/60/27/53/1357602753.db2.gz TVIPZMDQWLYPIV-TZMCWYRMSA-N 1 2 331.287 3.488 20 30 EGEDLO C#Cc1ccc(C(=O)N2CC[C@@H](Nc3cc[nH+]c(C)n3)[C@@H](CC)C2)cc1 ZINC001064407650 1352567907 /nfs/dbraw/zinc/56/79/07/1352567907.db2.gz KBJLEYUHXOEHBD-PKOBYXMFSA-N 1 2 348.450 3.119 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001067784926 1353521265 /nfs/dbraw/zinc/52/12/65/1353521265.db2.gz BUXGIULWNGQZMK-QGZVFWFLSA-N 1 2 344.503 3.431 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([C@H]2CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001067818822 1353537702 /nfs/dbraw/zinc/53/77/02/1353537702.db2.gz AZCWDPZZRQWTFM-SJORKVTESA-N 1 2 342.487 3.062 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@@]2(C)CN(c3cc[nH+]c(C)n3)C[C@@]2(C)C1 ZINC001068426643 1353713477 /nfs/dbraw/zinc/71/34/77/1353713477.db2.gz DORULQOCKOMEJI-AQNXPRMDSA-N 1 2 342.487 3.062 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CCCC[C@@H]3CC)c2C1 ZINC001069879828 1354292162 /nfs/dbraw/zinc/29/21/62/1354292162.db2.gz VIWZKJRKCRZNQV-FUHWJXTLSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CCCC[C@@H]3CC)c2C1 ZINC001069879828 1354292166 /nfs/dbraw/zinc/29/21/66/1354292166.db2.gz VIWZKJRKCRZNQV-FUHWJXTLSA-N 1 2 344.503 3.107 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cccc(C)c1)C[C@H](C)O2 ZINC001071121326 1354463552 /nfs/dbraw/zinc/46/35/52/1354463552.db2.gz AOTHQTNXCNQOPF-QFBILLFUSA-N 1 2 348.874 3.053 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cccc(C)c1)C[C@H](C)O2 ZINC001071121326 1354463554 /nfs/dbraw/zinc/46/35/54/1354463554.db2.gz AOTHQTNXCNQOPF-QFBILLFUSA-N 1 2 348.874 3.053 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C2CC2)C[N@@H+]1CC#Cc1ccccc1Cl ZINC001071296942 1354550121 /nfs/dbraw/zinc/55/01/21/1354550121.db2.gz ORMDGUSPQUTDKQ-RHSMWYFYSA-N 1 2 330.859 3.071 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C2CC2)C[N@H+]1CC#Cc1ccccc1Cl ZINC001071296942 1354550127 /nfs/dbraw/zinc/55/01/27/1354550127.db2.gz ORMDGUSPQUTDKQ-RHSMWYFYSA-N 1 2 330.859 3.071 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)CC2CC2)C[N@@H+]1CC#Cc1ccccc1Cl ZINC001071308357 1354565426 /nfs/dbraw/zinc/56/54/26/1354565426.db2.gz SNBZFLONWYLYSK-QAPCUYQASA-N 1 2 344.886 3.461 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)CC2CC2)C[N@H+]1CC#Cc1ccccc1Cl ZINC001071308357 1354565431 /nfs/dbraw/zinc/56/54/31/1354565431.db2.gz SNBZFLONWYLYSK-QAPCUYQASA-N 1 2 344.886 3.461 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3ccc(C#N)s3)C2)o1 ZINC001071332902 1354597516 /nfs/dbraw/zinc/59/75/16/1354597516.db2.gz VQCLHNWWFKSZJF-GXTWGEPZSA-N 1 2 343.452 3.304 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3ccc(C#N)s3)C2)o1 ZINC001071332902 1354597523 /nfs/dbraw/zinc/59/75/23/1354597523.db2.gz VQCLHNWWFKSZJF-GXTWGEPZSA-N 1 2 343.452 3.304 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3ccc(C#N)s3)C2)o1 ZINC001071332903 1354597698 /nfs/dbraw/zinc/59/76/98/1354597698.db2.gz VQCLHNWWFKSZJF-JSGCOSHPSA-N 1 2 343.452 3.304 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3ccc(C#N)s3)C2)o1 ZINC001071332903 1354597702 /nfs/dbraw/zinc/59/77/02/1354597702.db2.gz VQCLHNWWFKSZJF-JSGCOSHPSA-N 1 2 343.452 3.304 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C2CC=CC2)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC001071405112 1354668630 /nfs/dbraw/zinc/66/86/30/1354668630.db2.gz YVDZFNZVORKSLQ-KDOFPFPSSA-N 1 2 341.430 3.133 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C2CC=CC2)C[N@H+]1Cc1cc(C#N)ccc1F ZINC001071405112 1354668632 /nfs/dbraw/zinc/66/86/32/1354668632.db2.gz YVDZFNZVORKSLQ-KDOFPFPSSA-N 1 2 341.430 3.133 20 30 EGEDLO Cc1cncc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001071409346 1354673554 /nfs/dbraw/zinc/67/35/54/1354673554.db2.gz VPGVHZRRJLPWSL-OXQOHEQNSA-N 1 2 348.450 3.045 20 30 EGEDLO Cc1cncc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001071409346 1354673559 /nfs/dbraw/zinc/67/35/59/1354673559.db2.gz VPGVHZRRJLPWSL-OXQOHEQNSA-N 1 2 348.450 3.045 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C=C2CCC2)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC001071420181 1354685169 /nfs/dbraw/zinc/68/51/69/1354685169.db2.gz KLDONLGLPYFMHF-KUHUBIRLSA-N 1 2 341.430 3.277 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C=C2CCC2)C[N@H+]1Cc1cc(F)ccc1C#N ZINC001071420181 1354685175 /nfs/dbraw/zinc/68/51/75/1354685175.db2.gz KLDONLGLPYFMHF-KUHUBIRLSA-N 1 2 341.430 3.277 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3ccccc3C#N)C2)co1 ZINC001071461614 1354708217 /nfs/dbraw/zinc/70/82/17/1354708217.db2.gz VAUZSLKTAAEWIP-KUHUBIRLSA-N 1 2 337.423 3.243 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3ccccc3C#N)C2)co1 ZINC001071461614 1354708221 /nfs/dbraw/zinc/70/82/21/1354708221.db2.gz VAUZSLKTAAEWIP-KUHUBIRLSA-N 1 2 337.423 3.243 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C2(C)CC2)C[N@@H+]1CC#Cc1ccccc1Cl ZINC001071522417 1354743479 /nfs/dbraw/zinc/74/34/79/1354743479.db2.gz RHERZBCLLNLBJG-RDJZCZTQSA-N 1 2 344.886 3.461 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C2(C)CC2)C[N@H+]1CC#Cc1ccccc1Cl ZINC001071522417 1354743481 /nfs/dbraw/zinc/74/34/81/1354743481.db2.gz RHERZBCLLNLBJG-RDJZCZTQSA-N 1 2 344.886 3.461 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C(C)(C)c2cc(C)ccn2)CC[C@H]1C ZINC001071608052 1354793327 /nfs/dbraw/zinc/79/33/27/1354793327.db2.gz UZNADPBLEPZWBE-HZPDHXFCSA-N 1 2 349.906 3.389 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C(C)(C)c2cc(C)ccn2)CC[C@H]1C ZINC001071608052 1354793330 /nfs/dbraw/zinc/79/33/30/1354793330.db2.gz UZNADPBLEPZWBE-HZPDHXFCSA-N 1 2 349.906 3.389 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)CC[C@@H]1C ZINC001071637925 1354817423 /nfs/dbraw/zinc/81/74/23/1354817423.db2.gz AMCITXQVPAALMC-QWHCGFSZSA-N 1 2 338.883 3.042 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)CC[C@@H]1C ZINC001071637925 1354817427 /nfs/dbraw/zinc/81/74/27/1354817427.db2.gz AMCITXQVPAALMC-QWHCGFSZSA-N 1 2 338.883 3.042 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2c(C)[nH]nc2C(C)C)CC[C@@H]1C ZINC001071976760 1355056139 /nfs/dbraw/zinc/05/61/39/1355056139.db2.gz HZJDUWUQKLXXHM-JSGCOSHPSA-N 1 2 338.883 3.177 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2c(C)[nH]nc2C(C)C)CC[C@@H]1C ZINC001071976760 1355056143 /nfs/dbraw/zinc/05/61/43/1355056143.db2.gz HZJDUWUQKLXXHM-JSGCOSHPSA-N 1 2 338.883 3.177 20 30 EGEDLO O=C(C1CCC1)N1CC2(C1)CC[N@@H+](CC#Cc1ccccc1Cl)C2 ZINC001072376713 1355264844 /nfs/dbraw/zinc/26/48/44/1355264844.db2.gz XGLHUXHYRYJVLZ-UHFFFAOYSA-N 1 2 342.870 3.026 20 30 EGEDLO O=C(C1CCC1)N1CC2(C1)CC[N@H+](CC#Cc1ccccc1Cl)C2 ZINC001072376713 1355264845 /nfs/dbraw/zinc/26/48/45/1355264845.db2.gz XGLHUXHYRYJVLZ-UHFFFAOYSA-N 1 2 342.870 3.026 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+](Cc1csc(CC)n1)C2 ZINC001072951576 1355518444 /nfs/dbraw/zinc/51/84/44/1355518444.db2.gz LPGSJAAQEBJNPA-GOSISDBHSA-N 1 2 347.528 3.342 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@H+](Cc1csc(CC)n1)C2 ZINC001072951576 1355518447 /nfs/dbraw/zinc/51/84/47/1355518447.db2.gz LPGSJAAQEBJNPA-GOSISDBHSA-N 1 2 347.528 3.342 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001094711009 1361897786 /nfs/dbraw/zinc/89/77/86/1361897786.db2.gz VRKJEVROJPIDDA-OAHLLOKOSA-N 1 2 330.476 3.184 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001073608271 1355844016 /nfs/dbraw/zinc/84/40/16/1355844016.db2.gz MEUIYYDEOHNKRQ-HRCADAONSA-N 1 2 342.911 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001073608271 1355844019 /nfs/dbraw/zinc/84/40/19/1355844019.db2.gz MEUIYYDEOHNKRQ-HRCADAONSA-N 1 2 342.911 3.018 20 30 EGEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)C(C)(C)C ZINC001080825150 1357744826 /nfs/dbraw/zinc/74/48/26/1357744826.db2.gz JSBATSQDELMWTH-RHSMWYFYSA-N 1 2 332.875 3.174 20 30 EGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)C(C)(C)C ZINC001080825150 1357744831 /nfs/dbraw/zinc/74/48/31/1357744831.db2.gz JSBATSQDELMWTH-RHSMWYFYSA-N 1 2 332.875 3.174 20 30 EGEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCC3CCCCCC3)C[C@H]21 ZINC001074300417 1356159504 /nfs/dbraw/zinc/15/95/04/1356159504.db2.gz UIZGPQMPBSSRNY-UXHICEINSA-N 1 2 346.515 3.062 20 30 EGEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCC3CCCCCC3)C[C@H]21 ZINC001074300417 1356159506 /nfs/dbraw/zinc/15/95/06/1356159506.db2.gz UIZGPQMPBSSRNY-UXHICEINSA-N 1 2 346.515 3.062 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CCC(C)(C)CC3)C[C@H]21 ZINC001074415873 1356197180 /nfs/dbraw/zinc/19/71/80/1356197180.db2.gz XWPDHKJQKLGROH-QZTJIDSGSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C3CCC(C)(C)CC3)C[C@H]21 ZINC001074415873 1356197181 /nfs/dbraw/zinc/19/71/81/1356197181.db2.gz XWPDHKJQKLGROH-QZTJIDSGSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C4CC4)nc3C)[C@@H]2C1 ZINC001076258108 1356529128 /nfs/dbraw/zinc/52/91/28/1356529128.db2.gz DWFPKUBEAOZBLG-MAUKXSAKSA-N 1 2 345.874 3.166 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C4CC4)nc3C)[C@@H]2C1 ZINC001076258108 1356529133 /nfs/dbraw/zinc/52/91/33/1356529133.db2.gz DWFPKUBEAOZBLG-MAUKXSAKSA-N 1 2 345.874 3.166 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4ccncc4c3)[C@@H]2C1 ZINC001076435886 1356577870 /nfs/dbraw/zinc/57/78/70/1356577870.db2.gz LLFWSSHJUYBQQS-FUHWJXTLSA-N 1 2 341.842 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4ccncc4c3)[C@@H]2C1 ZINC001076435886 1356577874 /nfs/dbraw/zinc/57/78/74/1356577874.db2.gz LLFWSSHJUYBQQS-FUHWJXTLSA-N 1 2 341.842 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CSC(C)C ZINC001098916609 1363519953 /nfs/dbraw/zinc/51/99/53/1363519953.db2.gz RKLIDOIZILRFLP-CQSZACIVSA-N 1 2 332.941 3.487 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CSC(C)C ZINC001098916609 1363519956 /nfs/dbraw/zinc/51/99/56/1363519956.db2.gz RKLIDOIZILRFLP-CQSZACIVSA-N 1 2 332.941 3.487 20 30 EGEDLO CC(C)c1cc(N[C@H](C)CCNC(=O)[C@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001098948080 1363535457 /nfs/dbraw/zinc/53/54/57/1363535457.db2.gz VUISNTMCVHTDIP-ZIAGYGMSSA-N 1 2 331.464 3.190 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1cc(C)on1 ZINC001099097632 1363620572 /nfs/dbraw/zinc/62/05/72/1363620572.db2.gz AXMJSNSVVJWKDV-KRWDZBQOSA-N 1 2 333.476 3.446 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1cc(C)on1 ZINC001099097632 1363620577 /nfs/dbraw/zinc/62/05/77/1363620577.db2.gz AXMJSNSVVJWKDV-KRWDZBQOSA-N 1 2 333.476 3.446 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)C3CCCCC3)[C@@H]2C1 ZINC001084162723 1358148787 /nfs/dbraw/zinc/14/87/87/1358148787.db2.gz XWBAPRJVIQEWQG-WOJBJXKFSA-N 1 2 337.467 3.171 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)C3CCCCC3)[C@@H]2C1 ZINC001084162723 1358148789 /nfs/dbraw/zinc/14/87/89/1358148789.db2.gz XWBAPRJVIQEWQG-WOJBJXKFSA-N 1 2 337.467 3.171 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(Cc4ccccc4)CC3)[C@@H]2C1 ZINC001084415785 1358209877 /nfs/dbraw/zinc/20/98/77/1358209877.db2.gz ZDJJVHLNGWCOPV-QZTJIDSGSA-N 1 2 344.886 3.295 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3(Cc4ccccc4)CC3)[C@@H]2C1 ZINC001084415785 1358209881 /nfs/dbraw/zinc/20/98/81/1358209881.db2.gz ZDJJVHLNGWCOPV-QZTJIDSGSA-N 1 2 344.886 3.295 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3c(C)[nH]c4ccccc43)[C@@H]2C1 ZINC001084500810 1358226930 /nfs/dbraw/zinc/22/69/30/1358226930.db2.gz FQLBQFMTHXLMJZ-RHSMWYFYSA-N 1 2 343.858 3.375 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3c(C)[nH]c4ccccc43)[C@@H]2C1 ZINC001084500810 1358226934 /nfs/dbraw/zinc/22/69/34/1358226934.db2.gz FQLBQFMTHXLMJZ-RHSMWYFYSA-N 1 2 343.858 3.375 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084590215 1358248484 /nfs/dbraw/zinc/24/84/84/1358248484.db2.gz BCFNLYVTFCQXCB-CEXWTWQISA-N 1 2 337.467 3.027 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084590215 1358248488 /nfs/dbraw/zinc/24/84/88/1358248488.db2.gz BCFNLYVTFCQXCB-CEXWTWQISA-N 1 2 337.467 3.027 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3nccc4ccccc43)[C@@H]2C1 ZINC001084615826 1358255203 /nfs/dbraw/zinc/25/52/03/1358255203.db2.gz NEYNCRXNVFCKLV-NVXWUHKLSA-N 1 2 341.842 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3nccc4ccccc43)[C@@H]2C1 ZINC001084615826 1358255207 /nfs/dbraw/zinc/25/52/07/1358255207.db2.gz NEYNCRXNVFCKLV-NVXWUHKLSA-N 1 2 341.842 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc4ccccc4n3C)[C@@H]2C1 ZINC001084616670 1358255517 /nfs/dbraw/zinc/25/55/17/1358255517.db2.gz XQQACDYIPJJWQM-CRAIPNDOSA-N 1 2 343.858 3.077 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4ccccc4n3C)[C@@H]2C1 ZINC001084616670 1358255521 /nfs/dbraw/zinc/25/55/21/1358255521.db2.gz XQQACDYIPJJWQM-CRAIPNDOSA-N 1 2 343.858 3.077 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](Cc3ccncc3Cl)C[C@H]21 ZINC001084630863 1358261287 /nfs/dbraw/zinc/26/12/87/1358261287.db2.gz XWDGGWLRALBXKP-SZVBFZGTSA-N 1 2 347.890 3.370 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccncc3Cl)C[C@H]21 ZINC001084630863 1358261291 /nfs/dbraw/zinc/26/12/91/1358261291.db2.gz XWDGGWLRALBXKP-SZVBFZGTSA-N 1 2 347.890 3.370 20 30 EGEDLO CC(C)[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084698419 1358284884 /nfs/dbraw/zinc/28/48/84/1358284884.db2.gz VBIFRSHTYRXAQS-POZUXBRTSA-N 1 2 343.446 3.022 20 30 EGEDLO CC(C)[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084698419 1358284886 /nfs/dbraw/zinc/28/48/86/1358284886.db2.gz VBIFRSHTYRXAQS-POZUXBRTSA-N 1 2 343.446 3.022 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC34CCCC4)[C@@H]2C1 ZINC001084758059 1358302632 /nfs/dbraw/zinc/30/26/32/1358302632.db2.gz BIEJBCJESYRQOW-HSALFYBXSA-N 1 2 349.478 3.171 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC34CCCC4)[C@@H]2C1 ZINC001084758059 1358302636 /nfs/dbraw/zinc/30/26/36/1358302636.db2.gz BIEJBCJESYRQOW-HSALFYBXSA-N 1 2 349.478 3.171 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1)C(=O)[C@@H]1CC=CCC1 ZINC001085479239 1358530817 /nfs/dbraw/zinc/53/08/17/1358530817.db2.gz PFGXCNDRQJQXBR-AEFFLSMTSA-N 1 2 341.430 3.086 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1)C(=O)[C@@H]1CC=CCC1 ZINC001085479239 1358530819 /nfs/dbraw/zinc/53/08/19/1358530819.db2.gz PFGXCNDRQJQXBR-AEFFLSMTSA-N 1 2 341.430 3.086 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1)C(=O)c1sccc1F ZINC001085576150 1358607272 /nfs/dbraw/zinc/60/72/72/1358607272.db2.gz MJQFRRDSIVIUNJ-HNNXBMFYSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1)C(=O)c1sccc1F ZINC001085576150 1358607274 /nfs/dbraw/zinc/60/72/74/1358607274.db2.gz MJQFRRDSIVIUNJ-HNNXBMFYSA-N 1 2 343.427 3.105 20 30 EGEDLO Cc1coc(C)c1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001085578590 1358608592 /nfs/dbraw/zinc/60/85/92/1358608592.db2.gz RPSHQWNQEYDLKJ-IBGZPJMESA-N 1 2 336.435 3.094 20 30 EGEDLO Cc1coc(C)c1C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001085578590 1358608598 /nfs/dbraw/zinc/60/85/98/1358608598.db2.gz RPSHQWNQEYDLKJ-IBGZPJMESA-N 1 2 336.435 3.094 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)C1CC(C)(C)C1 ZINC001085578865 1358609159 /nfs/dbraw/zinc/60/91/59/1358609159.db2.gz ZAIQNMQACIFDSB-SFHVURJKSA-N 1 2 325.456 3.027 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)C1CC(C)(C)C1 ZINC001085578865 1358609170 /nfs/dbraw/zinc/60/91/70/1358609170.db2.gz ZAIQNMQACIFDSB-SFHVURJKSA-N 1 2 325.456 3.027 20 30 EGEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c(o1)c(F)ccc2C ZINC001085738846 1358724047 /nfs/dbraw/zinc/72/40/47/1358724047.db2.gz WGYPOUGPMMWFSL-CQSZACIVSA-N 1 2 328.387 3.050 20 30 EGEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c(o1)c(F)ccc2C ZINC001085738846 1358724049 /nfs/dbraw/zinc/72/40/49/1358724049.db2.gz WGYPOUGPMMWFSL-CQSZACIVSA-N 1 2 328.387 3.050 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1CCCC1(C)C ZINC001085774182 1358745725 /nfs/dbraw/zinc/74/57/25/1358745725.db2.gz ZUZFAEIDIYRAGN-MOPGFXCFSA-N 1 2 339.483 3.417 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1CCCC1(C)C ZINC001085774182 1358745729 /nfs/dbraw/zinc/74/57/29/1358745729.db2.gz ZUZFAEIDIYRAGN-MOPGFXCFSA-N 1 2 339.483 3.417 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F)C(=O)[C@@H]1CCC1(C)C ZINC001085775423 1358747778 /nfs/dbraw/zinc/74/77/78/1358747778.db2.gz VPKQLDKXJFZAKR-SJORKVTESA-N 1 2 343.446 3.166 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1F)C(=O)[C@@H]1CCC1(C)C ZINC001085775423 1358747780 /nfs/dbraw/zinc/74/77/80/1358747780.db2.gz VPKQLDKXJFZAKR-SJORKVTESA-N 1 2 343.446 3.166 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1)C(=O)[C@@H]1CC12CC2 ZINC001085842116 1358810482 /nfs/dbraw/zinc/81/04/82/1358810482.db2.gz NJGRGNAFMLXLJU-ROUUACIJSA-N 1 2 342.870 3.024 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1)C(=O)[C@@H]1CC12CC2 ZINC001085842116 1358810486 /nfs/dbraw/zinc/81/04/86/1358810486.db2.gz NJGRGNAFMLXLJU-ROUUACIJSA-N 1 2 342.870 3.024 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1CC12CCCC2 ZINC001085909462 1358869142 /nfs/dbraw/zinc/86/91/42/1358869142.db2.gz JYNSVQIATMPYPN-YOEHRIQHSA-N 1 2 343.496 3.233 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1CC12CCCC2 ZINC001085909462 1358869143 /nfs/dbraw/zinc/86/91/43/1358869143.db2.gz JYNSVQIATMPYPN-YOEHRIQHSA-N 1 2 343.496 3.233 20 30 EGEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2cccc(Cl)c2o1 ZINC001086005872 1358959359 /nfs/dbraw/zinc/95/93/59/1358959359.db2.gz QDGAOKHDZOUNNQ-CQSZACIVSA-N 1 2 330.815 3.256 20 30 EGEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2cccc(Cl)c2o1 ZINC001086005872 1358959362 /nfs/dbraw/zinc/95/93/62/1358959362.db2.gz QDGAOKHDZOUNNQ-CQSZACIVSA-N 1 2 330.815 3.256 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)c2ccco2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087488049 1359490303 /nfs/dbraw/zinc/49/03/03/1359490303.db2.gz KYONFYPKCRARMB-DLBZAZTESA-N 1 2 341.386 3.073 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)c2ccco2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087488049 1359490308 /nfs/dbraw/zinc/49/03/08/1359490308.db2.gz KYONFYPKCRARMB-DLBZAZTESA-N 1 2 341.386 3.073 20 30 EGEDLO Cc1ccsc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088447221 1359910663 /nfs/dbraw/zinc/91/06/63/1359910663.db2.gz XRFDGFJDBPXPQR-PBHICJAKSA-N 1 2 339.464 3.321 20 30 EGEDLO Cc1ccsc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088447221 1359910669 /nfs/dbraw/zinc/91/06/69/1359910669.db2.gz XRFDGFJDBPXPQR-PBHICJAKSA-N 1 2 339.464 3.321 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2CCCCC2)[C@H]1C ZINC001088450993 1359914867 /nfs/dbraw/zinc/91/48/67/1359914867.db2.gz OSWOSMULLQQETM-OCCSQVGLSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2CCCCC2)[C@H]1C ZINC001088450993 1359914870 /nfs/dbraw/zinc/91/48/70/1359914870.db2.gz OSWOSMULLQQETM-OCCSQVGLSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cccc3)c2)[C@H]1C ZINC001088715876 1360020525 /nfs/dbraw/zinc/02/05/25/1360020525.db2.gz YHZQJVBDBDXNRE-QAPCUYQASA-N 1 2 343.858 3.422 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cccc3)c2)[C@H]1C ZINC001088715876 1360020530 /nfs/dbraw/zinc/02/05/30/1360020530.db2.gz YHZQJVBDBDXNRE-QAPCUYQASA-N 1 2 343.858 3.422 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC2(C)C)[C@H]1C ZINC001088801767 1360053852 /nfs/dbraw/zinc/05/38/52/1360053852.db2.gz PGAAVJPZBOPZKD-MCIONIFRSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC2(C)C)[C@H]1C ZINC001088801767 1360053853 /nfs/dbraw/zinc/05/38/53/1360053853.db2.gz PGAAVJPZBOPZKD-MCIONIFRSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2CCCC3)[C@H]1C ZINC001088843711 1360077315 /nfs/dbraw/zinc/07/73/15/1360077315.db2.gz NXUIGPWUAGFTFE-HGTKMLMNSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2CCCC3)[C@H]1C ZINC001088843711 1360077320 /nfs/dbraw/zinc/07/73/20/1360077320.db2.gz NXUIGPWUAGFTFE-HGTKMLMNSA-N 1 2 341.293 3.054 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3c(C)cccn3c2)[C@H]1C ZINC001088976798 1360122370 /nfs/dbraw/zinc/12/23/70/1360122370.db2.gz PVRSTSWKECYSIN-ZBFHGGJFSA-N 1 2 331.847 3.193 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3c(C)cccn3c2)[C@H]1C ZINC001088976798 1360122374 /nfs/dbraw/zinc/12/23/74/1360122374.db2.gz PVRSTSWKECYSIN-ZBFHGGJFSA-N 1 2 331.847 3.193 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccccc2Cl)[C@H]1C ZINC001089023462 1360140069 /nfs/dbraw/zinc/14/00/69/1360140069.db2.gz XORSFGKDROYPIN-DOMZBBRYSA-N 1 2 327.255 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2Cl)[C@H]1C ZINC001089023462 1360140071 /nfs/dbraw/zinc/14/00/71/1360140071.db2.gz XORSFGKDROYPIN-DOMZBBRYSA-N 1 2 327.255 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C23CC(c4ccccc4)(C2)C3)[C@H]1C ZINC001089065888 1360155820 /nfs/dbraw/zinc/15/58/20/1360155820.db2.gz GTPOTSFIBBUPTE-CAJUJLTQSA-N 1 2 344.886 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C23CC(c4ccccc4)(C2)C3)[C@H]1C ZINC001089065888 1360155826 /nfs/dbraw/zinc/15/58/26/1360155826.db2.gz GTPOTSFIBBUPTE-CAJUJLTQSA-N 1 2 344.886 3.440 20 30 EGEDLO Cc1cc(N2C[C@@H](NC(=O)C#CC(C)C)CC[C@@H]2C)nc(C(C)C)[nH+]1 ZINC001089134422 1360193765 /nfs/dbraw/zinc/19/37/65/1360193765.db2.gz BLNODAPMZRKEBU-IRXDYDNUSA-N 1 2 342.487 3.041 20 30 EGEDLO Cc1cc(N[C@@H](C)C[C@H](C)NC(=O)C#CC(C)(C)C)nc(C2CC2)[nH+]1 ZINC001089312459 1360331790 /nfs/dbraw/zinc/33/17/90/1360331790.db2.gz KCICBQAQJBMBCX-KBPBESRZSA-N 1 2 342.487 3.407 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cncc(F)c1 ZINC001089625763 1360544078 /nfs/dbraw/zinc/54/40/78/1360544078.db2.gz RCTQAGQMMKCQBS-HNNXBMFYSA-N 1 2 339.842 3.194 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cncc(F)c1 ZINC001089625763 1360544081 /nfs/dbraw/zinc/54/40/81/1360544081.db2.gz RCTQAGQMMKCQBS-HNNXBMFYSA-N 1 2 339.842 3.194 20 30 EGEDLO C=C(C)[C@H](CC(=O)N[C@H](C)CCCCNc1cc[nH+]c(C)n1)OCC ZINC001090117635 1360834046 /nfs/dbraw/zinc/83/40/46/1360834046.db2.gz UEJQPEWRDPGVHI-WBVHZDCISA-N 1 2 348.491 3.243 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001090809405 1360939192 /nfs/dbraw/zinc/93/91/92/1360939192.db2.gz CLVMFSCAVRCGNZ-CZUORRHYSA-N 1 2 342.487 3.206 20 30 EGEDLO C#CCCCC(=O)N1CCC[C@H](C)[C@@H]1CCNc1cc[nH+]c(C)n1 ZINC001091659829 1361174403 /nfs/dbraw/zinc/17/44/03/1361174403.db2.gz ZRCXVXJNIZYKFO-RDJZCZTQSA-N 1 2 328.460 3.018 20 30 EGEDLO Cc1cc(NCCCCCCN(C)C(=O)[C@H](C)C#N)nc(C2CC2)[nH+]1 ZINC001091733223 1361198574 /nfs/dbraw/zinc/19/85/74/1361198574.db2.gz DJVBKIDOMYYFIH-CQSZACIVSA-N 1 2 343.475 3.253 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1CC ZINC001091827042 1361230888 /nfs/dbraw/zinc/23/08/88/1361230888.db2.gz VNYIDPWJCPTUGM-QKLQHJQFSA-N 1 2 344.503 3.478 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001092038316 1361278410 /nfs/dbraw/zinc/27/84/10/1361278410.db2.gz IINRVQBEGLFECH-UNEWFSDZSA-N 1 2 342.487 3.348 20 30 EGEDLO C=CCCC(=O)N1CCCC[C@H]1CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001092072149 1361289227 /nfs/dbraw/zinc/28/92/27/1361289227.db2.gz SWHNDINISHWNNP-KRWDZBQOSA-N 1 2 342.487 3.446 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001092904926 1361483555 /nfs/dbraw/zinc/48/35/55/1361483555.db2.gz RGGJIYWDRLNPKT-BGTYHANMSA-N 1 2 342.487 3.176 20 30 EGEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(C2CC2)n1 ZINC001092909018 1361485025 /nfs/dbraw/zinc/48/50/25/1361485025.db2.gz WPUXICTVMUOVIY-IKGGRYGDSA-N 1 2 340.471 3.245 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001093036571 1361513557 /nfs/dbraw/zinc/51/35/57/1361513557.db2.gz DBRZBGYPKBSTAR-SVGFKBNWSA-N 1 2 342.487 3.176 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)NCCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001093513618 1361633224 /nfs/dbraw/zinc/63/32/24/1361633224.db2.gz FTVQUZCNFRYDTR-HNNXBMFYSA-N 1 2 348.491 3.233 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCC=CCCC3)CC2)C1 ZINC001093545788 1361638223 /nfs/dbraw/zinc/63/82/23/1361638223.db2.gz RQXZIZFFGXRQSB-QGZVFWFLSA-N 1 2 332.488 3.001 20 30 EGEDLO Cc1cc(N2CCN(c3cnccc3C#N)CC2)[nH+]c2ccccc12 ZINC001324073208 1387529297 /nfs/dbraw/zinc/52/92/97/1387529297.db2.gz RGPYCNHTEKEVGB-UHFFFAOYSA-N 1 2 329.407 3.137 20 30 EGEDLO N#Cc1ccc(NC(=O)NCc2c[nH+]cn2Cc2ccc(F)cc2)cc1 ZINC001184774537 1387535493 /nfs/dbraw/zinc/53/54/93/1387535493.db2.gz KHCYEXIINTUPNF-UHFFFAOYSA-N 1 2 349.369 3.264 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001094810516 1361914990 /nfs/dbraw/zinc/91/49/90/1361914990.db2.gz OSIHLPWZAUUWBL-UHFFFAOYSA-N 1 2 330.476 3.184 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@H](N(C)c3nc(C)[nH+]c(C)c3C)C2)CC1 ZINC001095156135 1362035695 /nfs/dbraw/zinc/03/56/95/1362035695.db2.gz KACWRYKYDMTJPM-KRWDZBQOSA-N 1 2 342.487 3.185 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(OC)cc1C)C2 ZINC001095464749 1362150147 /nfs/dbraw/zinc/15/01/47/1362150147.db2.gz PXNKMHOUKWJGKW-NJAFHUGGSA-N 1 2 348.874 3.020 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(OC)cc1C)C2 ZINC001095464749 1362150149 /nfs/dbraw/zinc/15/01/49/1362150149.db2.gz PXNKMHOUKWJGKW-NJAFHUGGSA-N 1 2 348.874 3.020 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001095711105 1362208733 /nfs/dbraw/zinc/20/87/33/1362208733.db2.gz OFPAAFSORMFBMY-INIZCTEOSA-N 1 2 344.503 3.209 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)c(OC)c1)C2 ZINC001095719374 1362211417 /nfs/dbraw/zinc/21/14/17/1362211417.db2.gz DPDNGDCKZRYRPY-PMPSAXMXSA-N 1 2 334.847 3.091 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)c(OC)c1)C2 ZINC001095719374 1362211421 /nfs/dbraw/zinc/21/14/21/1362211421.db2.gz DPDNGDCKZRYRPY-PMPSAXMXSA-N 1 2 334.847 3.091 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3[nH]ccc3c1)C2 ZINC001095944417 1362298174 /nfs/dbraw/zinc/29/81/74/1362298174.db2.gz FQNVUUNOUFCMKF-PVAVHDDUSA-N 1 2 329.831 3.256 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3[nH]ccc3c1)C2 ZINC001095944417 1362298176 /nfs/dbraw/zinc/29/81/76/1362298176.db2.gz FQNVUUNOUFCMKF-PVAVHDDUSA-N 1 2 329.831 3.256 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096235994 1362447054 /nfs/dbraw/zinc/44/70/54/1362447054.db2.gz FXHRZZSXMCPBKJ-MRXNPFEDSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ccccc3[nH]1)C2 ZINC001096503198 1362539023 /nfs/dbraw/zinc/53/90/23/1362539023.db2.gz DAOAADWJIWWWNY-KMFMINBZSA-N 1 2 329.831 3.256 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ccccc3[nH]1)C2 ZINC001096503198 1362539025 /nfs/dbraw/zinc/53/90/25/1362539025.db2.gz DAOAADWJIWWWNY-KMFMINBZSA-N 1 2 329.831 3.256 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N(CCC)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001096548736 1362573848 /nfs/dbraw/zinc/57/38/48/1362573848.db2.gz CVBIDHMVWIKCCD-HZPDHXFCSA-N 1 2 344.503 3.451 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](Nc2cc[nH+]c(C)n2)C2CC2)CCCCC1 ZINC001096680214 1362634630 /nfs/dbraw/zinc/63/46/30/1362634630.db2.gz RYKUKRRDKLKUJS-QGZVFWFLSA-N 1 2 340.471 3.066 20 30 EGEDLO C=CCCCC(=O)NC[C@@H](Nc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001096797653 1362719963 /nfs/dbraw/zinc/71/99/63/1362719963.db2.gz LKUDDRSKRYLENB-MRXNPFEDSA-N 1 2 328.460 3.325 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C=C2CCC2)C3)c1 ZINC001096944877 1362787068 /nfs/dbraw/zinc/78/70/68/1362787068.db2.gz RCTUJHWOPHGIHQ-QRQLOZEOSA-N 1 2 339.414 3.029 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C=C2CCC2)C3)c1 ZINC001096944877 1362787071 /nfs/dbraw/zinc/78/70/71/1362787071.db2.gz RCTUJHWOPHGIHQ-QRQLOZEOSA-N 1 2 339.414 3.029 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096970477 1362798044 /nfs/dbraw/zinc/79/80/44/1362798044.db2.gz FDFUAMIKMASTNL-KRWDZBQOSA-N 1 2 340.471 3.259 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096974115 1362800203 /nfs/dbraw/zinc/80/02/03/1362800203.db2.gz FYCLJSJNUQNGIH-INIZCTEOSA-N 1 2 328.460 3.115 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001097242143 1362898350 /nfs/dbraw/zinc/89/83/50/1362898350.db2.gz OZNUJTCJTDWKSL-MIGQKNRLSA-N 1 2 330.476 3.426 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001097379300 1362960835 /nfs/dbraw/zinc/96/08/35/1362960835.db2.gz WTHUKSLWNSRHCP-KRWDZBQOSA-N 1 2 328.460 3.019 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001097379301 1362960840 /nfs/dbraw/zinc/96/08/40/1362960840.db2.gz WTHUKSLWNSRHCP-QGZVFWFLSA-N 1 2 328.460 3.019 20 30 EGEDLO C=CCCC(=O)NC[C@@H]1CCCCN1c1nc(C)[nH+]c2c1CCCC2 ZINC001097396981 1362971552 /nfs/dbraw/zinc/97/15/52/1362971552.db2.gz OVXMHFIJDHINLF-INIZCTEOSA-N 1 2 342.487 3.105 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@H]1CCCCN1c1nc(C)[nH+]c(C)c1C ZINC001097465698 1363006714 /nfs/dbraw/zinc/00/67/14/1363006714.db2.gz AURXNRNIYWXREM-QGZVFWFLSA-N 1 2 344.503 3.479 20 30 EGEDLO C=CCC1(C(=O)N2CCCC[C@H]2CNc2cc[nH+]c(C)n2)CCC1 ZINC001097500797 1363023780 /nfs/dbraw/zinc/02/37/80/1363023780.db2.gz XSOJXBYRABWECX-INIZCTEOSA-N 1 2 328.460 3.324 20 30 EGEDLO C=CCCC(=O)N[C@@H](C)[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097525322 1363039383 /nfs/dbraw/zinc/03/93/83/1363039383.db2.gz SGWNDXJWZCYDBA-RDJZCZTQSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC(C)(C)CO1)C2 ZINC001097561738 1363056395 /nfs/dbraw/zinc/05/63/95/1363056395.db2.gz OXTSQPJRZLTZPF-FPCVCCKLSA-N 1 2 340.895 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC(C)(C)CO1)C2 ZINC001097561738 1363056398 /nfs/dbraw/zinc/05/63/98/1363056398.db2.gz OXTSQPJRZLTZPF-FPCVCCKLSA-N 1 2 340.895 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)OCC1CC1 ZINC001098952622 1363537821 /nfs/dbraw/zinc/53/78/21/1363537821.db2.gz KERJMVDCNYVNAD-GDBMZVCRSA-N 1 2 342.911 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)OCC1CC1 ZINC001098952622 1363537822 /nfs/dbraw/zinc/53/78/22/1363537822.db2.gz KERJMVDCNYVNAD-GDBMZVCRSA-N 1 2 342.911 3.161 20 30 EGEDLO C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001099084905 1363614741 /nfs/dbraw/zinc/61/47/41/1363614741.db2.gz HKYRSKMZTIOMKE-QWHCGFSZSA-N 1 2 338.389 3.460 20 30 EGEDLO C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001099084905 1363614744 /nfs/dbraw/zinc/61/47/44/1363614744.db2.gz HKYRSKMZTIOMKE-QWHCGFSZSA-N 1 2 338.389 3.460 20 30 EGEDLO C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC001099084905 1363614746 /nfs/dbraw/zinc/61/47/46/1363614746.db2.gz HKYRSKMZTIOMKE-QWHCGFSZSA-N 1 2 338.389 3.460 20 30 EGEDLO C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC001099084905 1363614751 /nfs/dbraw/zinc/61/47/51/1363614751.db2.gz HKYRSKMZTIOMKE-QWHCGFSZSA-N 1 2 338.389 3.460 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(CCF)CC1 ZINC001099154512 1363660429 /nfs/dbraw/zinc/66/04/29/1363660429.db2.gz YKSGVCYFWBZGJN-AWEZNQCLSA-N 1 2 330.875 3.486 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(CCF)CC1 ZINC001099154512 1363660431 /nfs/dbraw/zinc/66/04/31/1363660431.db2.gz YKSGVCYFWBZGJN-AWEZNQCLSA-N 1 2 330.875 3.486 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1cc(OC)no1 ZINC001099172113 1363669950 /nfs/dbraw/zinc/66/99/50/1363669950.db2.gz YGLXAVNATXBSGN-AWEZNQCLSA-N 1 2 349.475 3.002 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1cc(OC)no1 ZINC001099172113 1363669953 /nfs/dbraw/zinc/66/99/53/1363669953.db2.gz YGLXAVNATXBSGN-AWEZNQCLSA-N 1 2 349.475 3.002 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nccn1C ZINC001099188585 1363680927 /nfs/dbraw/zinc/68/09/27/1363680927.db2.gz HMLOKZBMBFAGMZ-SJORKVTESA-N 1 2 346.519 3.129 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nccn1C ZINC001099188585 1363680930 /nfs/dbraw/zinc/68/09/30/1363680930.db2.gz HMLOKZBMBFAGMZ-SJORKVTESA-N 1 2 346.519 3.129 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC(C)C)OC ZINC001099229432 1363702217 /nfs/dbraw/zinc/70/22/17/1363702217.db2.gz JTNRWDMGLOHONN-HOTGVXAUSA-N 1 2 344.927 3.407 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC(C)C)OC ZINC001099229432 1363702219 /nfs/dbraw/zinc/70/22/19/1363702219.db2.gz JTNRWDMGLOHONN-HOTGVXAUSA-N 1 2 344.927 3.407 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCN(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001100626937 1364195541 /nfs/dbraw/zinc/19/55/41/1364195541.db2.gz XVCKDILQYJLAGQ-UHFFFAOYSA-N 1 2 330.476 3.207 20 30 EGEDLO Cc1cc(N2CCC[C@@H]2CNC(=O)C#CC(C)(C)C)nc(C(C)C)[nH+]1 ZINC001100828810 1364281707 /nfs/dbraw/zinc/28/17/07/1364281707.db2.gz USAGBCGTBXMEMB-MRXNPFEDSA-N 1 2 342.487 3.043 20 30 EGEDLO C=CCCCC(=O)N1C[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@@]2(C)C1 ZINC001101347843 1364521317 /nfs/dbraw/zinc/52/13/17/1364521317.db2.gz LLERJVGKODYMEG-FTMAHLLISA-N 1 2 331.287 3.442 20 30 EGEDLO C=CCCCC(=O)N1C[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@@]2(C)C1 ZINC001101347843 1364521320 /nfs/dbraw/zinc/52/13/20/1364521320.db2.gz LLERJVGKODYMEG-FTMAHLLISA-N 1 2 331.287 3.442 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCN(c1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001101427269 1364558488 /nfs/dbraw/zinc/55/84/88/1364558488.db2.gz RYENSVLEONYRAD-HIFRSBDPSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H](CC)CCCC)c1nccn12 ZINC001101634451 1364663594 /nfs/dbraw/zinc/66/35/94/1364663594.db2.gz XWVWOCIXTUVRDA-DLBZAZTESA-N 1 2 344.503 3.248 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](CC)CCCCC)c1nccn12 ZINC001101653024 1364674917 /nfs/dbraw/zinc/67/49/17/1364674917.db2.gz YHDXQGXUSBXRHY-SJORKVTESA-N 1 2 344.503 3.248 20 30 EGEDLO C=CCCC1(C(=O)NC[C@@H]2C[N@H+]([C@@H](C)c3csnn3)C[C@H]2C)CC1 ZINC001102328520 1365003824 /nfs/dbraw/zinc/00/38/24/1365003824.db2.gz MNKKKPZMPSSLEI-QLFBSQMISA-N 1 2 348.516 3.030 20 30 EGEDLO C=CCCC1(C(=O)NC[C@@H]2C[N@@H+]([C@@H](C)c3csnn3)C[C@H]2C)CC1 ZINC001102328520 1365003826 /nfs/dbraw/zinc/00/38/26/1365003826.db2.gz MNKKKPZMPSSLEI-QLFBSQMISA-N 1 2 348.516 3.030 20 30 EGEDLO C=CCCCC(=O)NCC[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102380235 1365031564 /nfs/dbraw/zinc/03/15/64/1365031564.db2.gz ZXARZHDMVIARRO-INIZCTEOSA-N 1 2 342.487 3.351 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]c(C2CC2)n1 ZINC001102569735 1365119847 /nfs/dbraw/zinc/11/98/47/1365119847.db2.gz BZZZYLWKHBPMKQ-XIRDDKMYSA-N 1 2 340.471 3.054 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@](C)(CNc1cc[nH+]c(C)n1)C1CC1 ZINC001103547374 1365626723 /nfs/dbraw/zinc/62/67/23/1365626723.db2.gz JZRYYTQRHSDQDC-LJQANCHMSA-N 1 2 328.460 3.250 20 30 EGEDLO C#CCCCCCC(=O)N[C@@](C)(CNc1cc[nH+]c(C)n1)C1CC1 ZINC001103561065 1365636979 /nfs/dbraw/zinc/63/69/79/1365636979.db2.gz PHUNOZAFPZDPJK-IBGZPJMESA-N 1 2 328.460 3.066 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001103815355 1365795140 /nfs/dbraw/zinc/79/51/40/1365795140.db2.gz QBLDWXGVKCLREQ-MRXNPFEDSA-N 1 2 328.460 3.422 20 30 EGEDLO CC(C)c1cc(NC[C@H](C)CNC(=O)[C@@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001103898031 1365827705 /nfs/dbraw/zinc/82/77/05/1365827705.db2.gz DXHWQWIBULTZPS-KBPBESRZSA-N 1 2 331.464 3.047 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001104152015 1365928193 /nfs/dbraw/zinc/92/81/93/1365928193.db2.gz XZZICRXEUNDEIM-ZDUSSCGKSA-N 1 2 330.476 3.429 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001104161813 1365932091 /nfs/dbraw/zinc/93/20/91/1365932091.db2.gz WNGMGDILZAWUFT-ZIAGYGMSSA-N 1 2 330.476 3.429 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104164246 1365933421 /nfs/dbraw/zinc/93/34/21/1365933421.db2.gz RQQQBVGUKCOXOJ-HOCLYGCPSA-N 1 2 344.503 3.430 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H](C)CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001104211843 1365953605 /nfs/dbraw/zinc/95/36/05/1365953605.db2.gz PHLWJLORJMYUJY-CYBMUJFWSA-N 1 2 328.460 3.183 20 30 EGEDLO C#CC[N@@H+](Cc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3)CC1CC1 ZINC001324821950 1387784061 /nfs/dbraw/zinc/78/40/61/1387784061.db2.gz ITXGQKHHISGQJW-LBPRGKRZSA-N 1 2 340.496 3.244 20 30 EGEDLO C#CC[N@H+](Cc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3)CC1CC1 ZINC001324821950 1387784063 /nfs/dbraw/zinc/78/40/63/1387784063.db2.gz ITXGQKHHISGQJW-LBPRGKRZSA-N 1 2 340.496 3.244 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@H](C)C1 ZINC001105052677 1366294275 /nfs/dbraw/zinc/29/42/75/1366294275.db2.gz SFLJUMRMUWWQLP-PBHICJAKSA-N 1 2 328.460 3.202 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N(C)CCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001105535912 1366515840 /nfs/dbraw/zinc/51/58/40/1366515840.db2.gz CFAHDAGABQJPSN-OAHLLOKOSA-N 1 2 332.492 3.405 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N(C)CCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001105535911 1366515981 /nfs/dbraw/zinc/51/59/81/1366515981.db2.gz CFAHDAGABQJPSN-HNNXBMFYSA-N 1 2 332.492 3.405 20 30 EGEDLO Cc1cc(NC[C@H]2CCC[C@H]2NC(=O)C#CC(C)C)nc(C2CC2)[nH+]1 ZINC001105662870 1366563408 /nfs/dbraw/zinc/56/34/08/1366563408.db2.gz LFVQAOXZJPAMKC-IAGOWNOFSA-N 1 2 340.471 3.019 20 30 EGEDLO C=C(C)CCC(=O)N1CCC(OC2C[NH+](Cc3ccccc3)C2)CC1 ZINC001105709748 1366581524 /nfs/dbraw/zinc/58/15/24/1366581524.db2.gz UQWCLYKGBBWGAD-UHFFFAOYSA-N 1 2 342.483 3.235 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](C)CCC(C)(C)C)CC2)C1 ZINC001105730923 1366588416 /nfs/dbraw/zinc/58/84/16/1366588416.db2.gz CNLLTOGPQLQECT-MRXNPFEDSA-N 1 2 336.520 3.327 20 30 EGEDLO CC(C)C#CC(=O)NC/C=C\CNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001107160508 1366883165 /nfs/dbraw/zinc/88/31/65/1366883165.db2.gz XVGJUWNWGYRVMZ-FPLPWBNLSA-N 1 2 342.487 3.467 20 30 EGEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(Cl)c1 ZINC001109251810 1367026724 /nfs/dbraw/zinc/02/67/24/1367026724.db2.gz LSYBHCZPGOMVKY-JLSDUUJJSA-N 1 2 346.833 3.114 20 30 EGEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(Cl)c1 ZINC001109251810 1367026728 /nfs/dbraw/zinc/02/67/28/1367026728.db2.gz LSYBHCZPGOMVKY-JLSDUUJJSA-N 1 2 346.833 3.114 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1ccc(F)cc1F ZINC001109251657 1367027353 /nfs/dbraw/zinc/02/73/53/1367027353.db2.gz FJEOEIDHVHXDRW-MDUILUSMSA-N 1 2 346.421 3.407 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1ccc(F)cc1F ZINC001109251657 1367027356 /nfs/dbraw/zinc/02/73/56/1367027356.db2.gz FJEOEIDHVHXDRW-MDUILUSMSA-N 1 2 346.421 3.407 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001109267954 1367034605 /nfs/dbraw/zinc/03/46/05/1367034605.db2.gz OVHTZTFRLZEXLX-AWEZNQCLSA-N 1 2 330.476 3.206 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)OCCCCCC)C2 ZINC001109279639 1367037033 /nfs/dbraw/zinc/03/70/33/1367037033.db2.gz LUGNNEUDHXBGAS-YVSFHVDLSA-N 1 2 342.911 3.446 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)OCCCCCC)C2 ZINC001109279639 1367037040 /nfs/dbraw/zinc/03/70/40/1367037040.db2.gz LUGNNEUDHXBGAS-YVSFHVDLSA-N 1 2 342.911 3.446 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1csnn1)CC2 ZINC001107561085 1367045002 /nfs/dbraw/zinc/04/50/02/1367045002.db2.gz CTXVZOXQKAXAND-CRAIPNDOSA-N 1 2 348.516 3.001 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1csnn1)CC2 ZINC001107561085 1367045009 /nfs/dbraw/zinc/04/50/09/1367045009.db2.gz CTXVZOXQKAXAND-CRAIPNDOSA-N 1 2 348.516 3.001 20 30 EGEDLO CCCCCCCCOCC(=O)NC/C=C/CNc1cc[nH+]c(C)n1 ZINC001107564816 1367046867 /nfs/dbraw/zinc/04/68/67/1367046867.db2.gz HLMYHONVTKVYHB-CMDGGOBGSA-N 1 2 348.491 3.246 20 30 EGEDLO CC/C(C)=C/C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001189995125 1367147822 /nfs/dbraw/zinc/14/78/22/1367147822.db2.gz NRYNITMODKXGTD-MOVXZBDNSA-N 1 2 329.419 3.086 20 30 EGEDLO CC/C(C)=C/C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001189995125 1367147832 /nfs/dbraw/zinc/14/78/32/1367147832.db2.gz NRYNITMODKXGTD-MOVXZBDNSA-N 1 2 329.419 3.086 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@H]([N@H+](C)Cc2c(F)cccc2Cl)C1 ZINC001190047838 1367160440 /nfs/dbraw/zinc/16/04/40/1367160440.db2.gz XDKARKWPPATAFC-AWEZNQCLSA-N 1 2 336.838 3.171 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@H]([N@@H+](C)Cc2c(F)cccc2Cl)C1 ZINC001190047838 1367160442 /nfs/dbraw/zinc/16/04/42/1367160442.db2.gz XDKARKWPPATAFC-AWEZNQCLSA-N 1 2 336.838 3.171 20 30 EGEDLO C=CCC[C@H](C(=O)N[C@H](C)CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001107832582 1367164675 /nfs/dbraw/zinc/16/46/75/1367164675.db2.gz IIBSBGWBJZOSIV-QAPCUYQASA-N 1 2 338.455 3.452 20 30 EGEDLO C=C(C)Cc1ccc(C(=O)N2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC001190218033 1367203168 /nfs/dbraw/zinc/20/31/68/1367203168.db2.gz UNHOYBGOBRLNPF-UHFFFAOYSA-N 1 2 349.478 3.201 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001109604405 1367227374 /nfs/dbraw/zinc/22/73/74/1367227374.db2.gz IDNLOOBPAJYONK-AOIWGVFYSA-N 1 2 343.471 3.097 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001109604405 1367227377 /nfs/dbraw/zinc/22/73/77/1367227377.db2.gz IDNLOOBPAJYONK-AOIWGVFYSA-N 1 2 343.471 3.097 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncoc1C(C)C ZINC001109627567 1367246325 /nfs/dbraw/zinc/24/63/25/1367246325.db2.gz XTTGDDIGIYPSRP-RYRKJORJSA-N 1 2 343.471 3.213 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncoc1C(C)C ZINC001109627567 1367246333 /nfs/dbraw/zinc/24/63/33/1367246333.db2.gz XTTGDDIGIYPSRP-RYRKJORJSA-N 1 2 343.471 3.213 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)c(C)o1 ZINC001109634504 1367254418 /nfs/dbraw/zinc/25/44/18/1367254418.db2.gz OOAYWDMKBCNZRH-YVSFHVDLSA-N 1 2 331.460 3.115 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)c(C)o1 ZINC001109634504 1367254424 /nfs/dbraw/zinc/25/44/24/1367254424.db2.gz OOAYWDMKBCNZRH-YVSFHVDLSA-N 1 2 331.460 3.115 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccncc1)C(C)C)C2 ZINC001109645054 1367260076 /nfs/dbraw/zinc/26/00/76/1367260076.db2.gz OAISODJFPQMZPE-VSZNYVQBSA-N 1 2 347.890 3.295 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccncc1)C(C)C)C2 ZINC001109645054 1367260080 /nfs/dbraw/zinc/26/00/80/1367260080.db2.gz OAISODJFPQMZPE-VSZNYVQBSA-N 1 2 347.890 3.295 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)C[N@H+](Cc2cc(F)ccc2C)CCO1 ZINC001108118989 1367291492 /nfs/dbraw/zinc/29/14/92/1367291492.db2.gz HDXVAYALGIGUIE-FQEVSTJZSA-N 1 2 348.462 3.053 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)C[N@@H+](Cc2cc(F)ccc2C)CCO1 ZINC001108118989 1367291500 /nfs/dbraw/zinc/29/15/00/1367291500.db2.gz HDXVAYALGIGUIE-FQEVSTJZSA-N 1 2 348.462 3.053 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC001108148782 1367309869 /nfs/dbraw/zinc/30/98/69/1367309869.db2.gz OHGCTKIESZJRON-JXFKEZNVSA-N 1 2 348.462 3.135 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC001108148782 1367309875 /nfs/dbraw/zinc/30/98/75/1367309875.db2.gz OHGCTKIESZJRON-JXFKEZNVSA-N 1 2 348.462 3.135 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@]1(C)C[N@H+](Cc2ccsc2)CCO1 ZINC001108188424 1367331280 /nfs/dbraw/zinc/33/12/80/1367331280.db2.gz SPJLRBNPPFPDLL-ROUUACIJSA-N 1 2 336.501 3.058 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@]1(C)C[N@@H+](Cc2ccsc2)CCO1 ZINC001108188424 1367331285 /nfs/dbraw/zinc/33/12/85/1367331285.db2.gz SPJLRBNPPFPDLL-ROUUACIJSA-N 1 2 336.501 3.058 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)c(C(F)(F)F)cc2F)CC1 ZINC001190764521 1367345735 /nfs/dbraw/zinc/34/57/35/1367345735.db2.gz XJSFOLRFLGMNGN-UHFFFAOYSA-N 1 2 330.325 3.097 20 30 EGEDLO C=CCC1(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2CC)CC1 ZINC001190798506 1367352057 /nfs/dbraw/zinc/35/20/57/1367352057.db2.gz QVNMNZYKOKWKFM-SFHVURJKSA-N 1 2 348.512 3.021 20 30 EGEDLO C=CCC1(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2CC)CC1 ZINC001190798506 1367352061 /nfs/dbraw/zinc/35/20/61/1367352061.db2.gz QVNMNZYKOKWKFM-SFHVURJKSA-N 1 2 348.512 3.021 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](CCC)CC2CCCC2)C1 ZINC001108257858 1367367996 /nfs/dbraw/zinc/36/79/96/1367367996.db2.gz NDWVXBMUEFSYKV-UYAOXDASSA-N 1 2 336.520 3.376 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](CCC)CC2CCCC2)C1 ZINC001108257858 1367368000 /nfs/dbraw/zinc/36/80/00/1367368000.db2.gz NDWVXBMUEFSYKV-UYAOXDASSA-N 1 2 336.520 3.376 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H](C)CCc2ccccc2)C1 ZINC001108432023 1367456095 /nfs/dbraw/zinc/45/60/95/1367456095.db2.gz ADWGYBOZWQQDNO-NQIIRXRSSA-N 1 2 344.499 3.039 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H](C)CCc2ccccc2)C1 ZINC001108432023 1367456099 /nfs/dbraw/zinc/45/60/99/1367456099.db2.gz ADWGYBOZWQQDNO-NQIIRXRSSA-N 1 2 344.499 3.039 20 30 EGEDLO C=C[C@H](CC(=O)NCC1(Nc2cc[nH+]c(C)n2)CC1)c1ccccc1 ZINC001110153203 1367527704 /nfs/dbraw/zinc/52/77/04/1367527704.db2.gz RRNSJOCWLZPXQT-MRXNPFEDSA-N 1 2 336.439 3.206 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2ncc(C)o2)C1 ZINC001191754092 1367576433 /nfs/dbraw/zinc/57/64/33/1367576433.db2.gz KXYLNPBOMTYTFW-DLBZAZTESA-N 1 2 331.460 3.160 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2ncc(C)o2)C1 ZINC001191754092 1367576439 /nfs/dbraw/zinc/57/64/39/1367576439.db2.gz KXYLNPBOMTYTFW-DLBZAZTESA-N 1 2 331.460 3.160 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ncoc2C(C)C)C1 ZINC001191753478 1367577429 /nfs/dbraw/zinc/57/74/29/1367577429.db2.gz FFOIBKBKKWMENU-KRWDZBQOSA-N 1 2 345.487 3.414 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]([N@H+](C)Cc2ncoc2C(C)C)C1 ZINC001191753478 1367577438 /nfs/dbraw/zinc/57/74/38/1367577438.db2.gz FFOIBKBKKWMENU-KRWDZBQOSA-N 1 2 345.487 3.414 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2ncoc2C(C)C)C1 ZINC001191891070 1367628655 /nfs/dbraw/zinc/62/86/55/1367628655.db2.gz WWPWYWVRCGOZSK-HOTGVXAUSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ncoc2C(C)C)C1 ZINC001191891070 1367628661 /nfs/dbraw/zinc/62/86/61/1367628661.db2.gz WWPWYWVRCGOZSK-HOTGVXAUSA-N 1 2 333.476 3.433 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001192072907 1367680451 /nfs/dbraw/zinc/68/04/51/1367680451.db2.gz MYLQEJYKDDSPPT-GOSISDBHSA-N 1 2 329.419 3.086 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001192072907 1367680455 /nfs/dbraw/zinc/68/04/55/1367680455.db2.gz MYLQEJYKDDSPPT-GOSISDBHSA-N 1 2 329.419 3.086 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H]([N@H+](C)CC(=C)Br)C2)CC1 ZINC001192180795 1367708624 /nfs/dbraw/zinc/70/86/24/1367708624.db2.gz MBOMCNNOVFGZBB-CQSZACIVSA-N 1 2 341.293 3.174 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H]([N@@H+](C)CC(=C)Br)C2)CC1 ZINC001192180795 1367708628 /nfs/dbraw/zinc/70/86/28/1367708628.db2.gz MBOMCNNOVFGZBB-CQSZACIVSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)C2(CCC)CC2)C1 ZINC001192245803 1367728876 /nfs/dbraw/zinc/72/88/76/1367728876.db2.gz HEWQFVZXMIFYIS-ZDUSSCGKSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)C2(CCC)CC2)C1 ZINC001192245803 1367728880 /nfs/dbraw/zinc/72/88/80/1367728880.db2.gz HEWQFVZXMIFYIS-ZDUSSCGKSA-N 1 2 329.282 3.008 20 30 EGEDLO C=CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nc(C)[nH+]c(C)c1C ZINC001110450325 1367734994 /nfs/dbraw/zinc/73/49/94/1367734994.db2.gz BXTYFFQEEHQMBA-HDICACEKSA-N 1 2 342.487 3.328 20 30 EGEDLO C#CCC1(C(=O)N[C@H](C)CN(C)c2cc(C)[nH+]c(C(C)C)n2)CCC1 ZINC001109127041 1367784647 /nfs/dbraw/zinc/78/46/47/1367784647.db2.gz TZKDTFVHNHMLHK-MRXNPFEDSA-N 1 2 342.487 3.043 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@]1(C)CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001110808750 1368003842 /nfs/dbraw/zinc/00/38/42/1368003842.db2.gz CUMSULDYAUGXNM-BFUOFWGJSA-N 1 2 330.476 3.089 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncoc1C(C)C ZINC001110925389 1368096614 /nfs/dbraw/zinc/09/66/14/1368096614.db2.gz XTTGDDIGIYPSRP-NUJGCVRESA-N 1 2 343.471 3.213 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncoc1C(C)C ZINC001110925389 1368096618 /nfs/dbraw/zinc/09/66/18/1368096618.db2.gz XTTGDDIGIYPSRP-NUJGCVRESA-N 1 2 343.471 3.213 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)c(C)s1 ZINC001110925113 1368097133 /nfs/dbraw/zinc/09/71/33/1368097133.db2.gz JTEFVQSWRFYBMR-ZACQAIPSSA-N 1 2 345.512 3.175 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)c(C)s1 ZINC001110925113 1368097136 /nfs/dbraw/zinc/09/71/36/1368097136.db2.gz JTEFVQSWRFYBMR-ZACQAIPSSA-N 1 2 345.512 3.175 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CCC)c1ccccn1)C2 ZINC001110947337 1368114961 /nfs/dbraw/zinc/11/49/61/1368114961.db2.gz JHQAFAPOQDENTI-AHCXZYCDSA-N 1 2 347.890 3.439 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CCC)c1ccccn1)C2 ZINC001110947337 1368114968 /nfs/dbraw/zinc/11/49/68/1368114968.db2.gz JHQAFAPOQDENTI-AHCXZYCDSA-N 1 2 347.890 3.439 20 30 EGEDLO CC[C@H](CC#N)NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1 ZINC001186317548 1387920850 /nfs/dbraw/zinc/92/08/50/1387920850.db2.gz CQFQMRXGUBDLQM-RTWAWAEBSA-N 1 2 347.462 3.422 20 30 EGEDLO CC[C@H](CC#N)NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1 ZINC001186317548 1387920857 /nfs/dbraw/zinc/92/08/57/1387920857.db2.gz CQFQMRXGUBDLQM-RTWAWAEBSA-N 1 2 347.462 3.422 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncoc1C(C)C ZINC001110964507 1368127091 /nfs/dbraw/zinc/12/70/91/1368127091.db2.gz NWKOKFXPQWDOLF-INMHGKMJSA-N 1 2 331.460 3.376 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncoc1C(C)C ZINC001110964507 1368127097 /nfs/dbraw/zinc/12/70/97/1368127097.db2.gz NWKOKFXPQWDOLF-INMHGKMJSA-N 1 2 331.460 3.376 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccon3)C2)CCCCC1 ZINC001194192067 1368204791 /nfs/dbraw/zinc/20/47/91/1368204791.db2.gz QFXCQFRGWALXBY-QGZVFWFLSA-N 1 2 331.460 3.234 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccon3)C2)CCCCC1 ZINC001194192067 1368204795 /nfs/dbraw/zinc/20/47/95/1368204795.db2.gz QFXCQFRGWALXBY-QGZVFWFLSA-N 1 2 331.460 3.234 20 30 EGEDLO C=CCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cc(C)[nH+]c(C2CC2)n1 ZINC001111382531 1368278927 /nfs/dbraw/zinc/27/89/27/1368278927.db2.gz VDRFCPQLDZWYKI-SJORKVTESA-N 1 2 340.471 3.198 20 30 EGEDLO CC/C=C(/C)C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001195079238 1368372706 /nfs/dbraw/zinc/37/27/06/1368372706.db2.gz LFPAQMFIBVLQDD-FMQZQXMHSA-N 1 2 328.431 3.068 20 30 EGEDLO CC/C=C(/C)C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001195079238 1368372713 /nfs/dbraw/zinc/37/27/13/1368372713.db2.gz LFPAQMFIBVLQDD-FMQZQXMHSA-N 1 2 328.431 3.068 20 30 EGEDLO CC(C)[C@@H](C)CC(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001195201530 1368400457 /nfs/dbraw/zinc/40/04/57/1368400457.db2.gz VEQYJSSXKHTSOU-KRWDZBQOSA-N 1 2 327.472 3.275 20 30 EGEDLO CC(C)[C@@H](C)CC(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001195201530 1368400458 /nfs/dbraw/zinc/40/04/58/1368400458.db2.gz VEQYJSSXKHTSOU-KRWDZBQOSA-N 1 2 327.472 3.275 20 30 EGEDLO CC(C)(C)/C=C\C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001195356783 1368427500 /nfs/dbraw/zinc/42/75/00/1368427500.db2.gz ZPRNOLIUOQULKG-FPLPWBNLSA-N 1 2 343.446 3.334 20 30 EGEDLO CC(C)(C)/C=C\C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001195356783 1368427504 /nfs/dbraw/zinc/42/75/04/1368427504.db2.gz ZPRNOLIUOQULKG-FPLPWBNLSA-N 1 2 343.446 3.334 20 30 EGEDLO CC[C@@H](C)CC(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001195666830 1368468379 /nfs/dbraw/zinc/46/83/79/1368468379.db2.gz FDOSMKPUHXSAMG-QGZVFWFLSA-N 1 2 330.447 3.148 20 30 EGEDLO CC[C@@H](C)CC(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001195666830 1368468385 /nfs/dbraw/zinc/46/83/85/1368468385.db2.gz FDOSMKPUHXSAMG-QGZVFWFLSA-N 1 2 330.447 3.148 20 30 EGEDLO Cc1cc(NC2(CNC(=O)C#CC(C)C)CCC2)nc(C(C)C)[nH+]1 ZINC001111805550 1368471415 /nfs/dbraw/zinc/47/14/15/1368471415.db2.gz BLGCPUZPOGJKQK-UHFFFAOYSA-N 1 2 328.460 3.019 20 30 EGEDLO CC(F)(F)CCC(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001196331815 1368590861 /nfs/dbraw/zinc/59/08/61/1368590861.db2.gz GCYRCLYJVVKAFS-UHFFFAOYSA-N 1 2 335.398 3.028 20 30 EGEDLO CC(F)(F)CCC(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001196331815 1368590865 /nfs/dbraw/zinc/59/08/65/1368590865.db2.gz GCYRCLYJVVKAFS-UHFFFAOYSA-N 1 2 335.398 3.028 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CCCN(c3cc[nH+]c(C)n3)CC2)CCCC1 ZINC001111993580 1368596509 /nfs/dbraw/zinc/59/65/09/1368596509.db2.gz KDNOEDMSSDXKGT-KRWDZBQOSA-N 1 2 342.487 3.397 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001112013328 1368617620 /nfs/dbraw/zinc/61/76/20/1368617620.db2.gz DYWOLLKDKQIZHI-QGZVFWFLSA-N 1 2 330.476 3.233 20 30 EGEDLO C#CCC1(C(=O)N(C)CCCN(C)c2cc[nH+]c(C)n2)CCCCC1 ZINC001112095882 1368656262 /nfs/dbraw/zinc/65/62/62/1368656262.db2.gz PTCWFEGCTADYFN-UHFFFAOYSA-N 1 2 342.487 3.044 20 30 EGEDLO C=C(C)CCC(=O)N(C)CCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001112130855 1368675293 /nfs/dbraw/zinc/67/52/93/1368675293.db2.gz VZAAKODDYCOXJR-UHFFFAOYSA-N 1 2 330.476 3.303 20 30 EGEDLO C=CC(C)(C)C(=O)N(C)CCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001112151682 1368683765 /nfs/dbraw/zinc/68/37/65/1368683765.db2.gz SQTRMINGDSXCFC-UHFFFAOYSA-N 1 2 330.476 3.159 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2nc(C)c(C)s2)CC1 ZINC001196852870 1368698748 /nfs/dbraw/zinc/69/87/48/1368698748.db2.gz DVXPRROLCGUIMI-KGLIPLIRSA-N 1 2 335.517 3.252 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2nc(C)c(C)s2)CC1 ZINC001196852870 1368698752 /nfs/dbraw/zinc/69/87/52/1368698752.db2.gz DVXPRROLCGUIMI-KGLIPLIRSA-N 1 2 335.517 3.252 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001196853113 1368699439 /nfs/dbraw/zinc/69/94/39/1368699439.db2.gz HDRJRIQPBJRUOE-HUUCEWRRSA-N 1 2 331.485 3.112 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001196853113 1368699444 /nfs/dbraw/zinc/69/94/44/1368699444.db2.gz HDRJRIQPBJRUOE-HUUCEWRRSA-N 1 2 331.485 3.112 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@@]2(CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001112219742 1368728976 /nfs/dbraw/zinc/72/89/76/1368728976.db2.gz YHZQDZIRFBGQEK-PXNSSMCTSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CC[NH+]1CCN(C(=S)Nc2ccccc2C(F)(F)F)CC1 ZINC001197250629 1368771724 /nfs/dbraw/zinc/77/17/24/1368771724.db2.gz MCGOUXRREQCPDX-UHFFFAOYSA-N 1 2 329.391 3.206 20 30 EGEDLO C=CCCC(=O)N1CCC(C)(Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001112345267 1368780390 /nfs/dbraw/zinc/78/03/90/1368780390.db2.gz NDKIUMDIUBGUGS-UHFFFAOYSA-N 1 2 328.460 3.422 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001112383132 1368811165 /nfs/dbraw/zinc/81/11/65/1368811165.db2.gz RLSKSWXOKLAXGT-KRWDZBQOSA-N 1 2 344.503 3.479 20 30 EGEDLO CC[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC001197586715 1368845239 /nfs/dbraw/zinc/84/52/39/1368845239.db2.gz KJLBOHBQRHJTLD-OALUTQOASA-N 1 2 326.484 3.255 20 30 EGEDLO CC[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001197586715 1368845240 /nfs/dbraw/zinc/84/52/40/1368845240.db2.gz KJLBOHBQRHJTLD-OALUTQOASA-N 1 2 326.484 3.255 20 30 EGEDLO CC(C)C[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001197598170 1368851294 /nfs/dbraw/zinc/85/12/94/1368851294.db2.gz ZJIOHYKZCQXHJJ-MRXNPFEDSA-N 1 2 345.462 3.414 20 30 EGEDLO CC(C)C[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001197598170 1368851297 /nfs/dbraw/zinc/85/12/97/1368851297.db2.gz ZJIOHYKZCQXHJJ-MRXNPFEDSA-N 1 2 345.462 3.414 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@H](C)C1 ZINC001112476862 1368875281 /nfs/dbraw/zinc/87/52/81/1368875281.db2.gz OCKQSGXUXUOUJQ-ZBFHGGJFSA-N 1 2 328.460 3.102 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@H](C)C1 ZINC001112499269 1368896519 /nfs/dbraw/zinc/89/65/19/1368896519.db2.gz HQNARSROMYKMLK-DYVFJYSZSA-N 1 2 344.503 3.478 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H](CC)CC(F)(F)F)CC1 ZINC001197850891 1368912754 /nfs/dbraw/zinc/91/27/54/1368912754.db2.gz ZPIPIGYVAYANQD-LBPRGKRZSA-N 1 2 326.790 3.252 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H](CC)CC(F)(F)F)CC1 ZINC001197850891 1368912755 /nfs/dbraw/zinc/91/27/55/1368912755.db2.gz ZPIPIGYVAYANQD-LBPRGKRZSA-N 1 2 326.790 3.252 20 30 EGEDLO C=CC(C)(C)C(=O)N(C)[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001112631908 1368961110 /nfs/dbraw/zinc/96/11/10/1368961110.db2.gz ODIKOJUPDAVYHA-KRWDZBQOSA-N 1 2 344.503 3.431 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC001112671429 1368974662 /nfs/dbraw/zinc/97/46/62/1368974662.db2.gz ISHMBLSHMWKFOR-KRWDZBQOSA-N 1 2 342.483 3.189 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[NH+](CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC001112880781 1369065329 /nfs/dbraw/zinc/06/53/29/1369065329.db2.gz OQEJZGYCZLTGEG-UYAOXDASSA-N 1 2 348.531 3.494 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H](C)C(C)C)c1ccccc1OC ZINC001198925421 1369150786 /nfs/dbraw/zinc/15/07/86/1369150786.db2.gz UKMWIQBGEUXXPO-GOEBONIOSA-N 1 2 338.879 3.487 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001113229750 1369277170 /nfs/dbraw/zinc/27/71/70/1369277170.db2.gz QDHQLDYYLYWFKJ-SJORKVTESA-N 1 2 330.472 3.106 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC[NH+](Cc2cccc(OC)c2C)CC1 ZINC001113229855 1369277725 /nfs/dbraw/zinc/27/77/25/1369277725.db2.gz SKHIQOZCKDVONY-JKSUJKDBSA-N 1 2 330.472 3.106 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H](C)[C@@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001113285874 1369318402 /nfs/dbraw/zinc/31/84/02/1369318402.db2.gz FWGFTFOMZAGBHQ-ZIAGYGMSSA-N 1 2 328.460 3.324 20 30 EGEDLO C=CCCC1(C(=O)N2CC[NH+](Cc3cccc(N(C)C)c3)CC2)CC1 ZINC001113310576 1369336851 /nfs/dbraw/zinc/33/68/51/1369336851.db2.gz KUXIAEWULJBDQT-UHFFFAOYSA-N 1 2 341.499 3.143 20 30 EGEDLO CCOC(=O)[C@@H]1CCCc2sc(Nc3ccc(N)[nH+]c3)c(C#N)c21 ZINC001201276595 1369509203 /nfs/dbraw/zinc/50/92/03/1369509203.db2.gz XESVWZQUCILBFZ-LLVKDONJSA-N 1 2 342.424 3.324 20 30 EGEDLO C=CC[C@H](C(=O)N1CC[NH+](CCOCC(C)C)CC1)c1ccccc1 ZINC001113663069 1369550836 /nfs/dbraw/zinc/55/08/36/1369550836.db2.gz VTYMCYLMUBUGCR-FQEVSTJZSA-N 1 2 344.499 3.163 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001113822145 1369623524 /nfs/dbraw/zinc/62/35/24/1369623524.db2.gz LUZOSJXPFGQBTH-DZGCQCFKSA-N 1 2 330.476 3.206 20 30 EGEDLO CC(C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001113846934 1369631882 /nfs/dbraw/zinc/63/18/82/1369631882.db2.gz PSIWROOXUHBONE-YRWFTTLQSA-N 1 2 344.886 3.174 20 30 EGEDLO CC(C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001113846934 1369631886 /nfs/dbraw/zinc/63/18/86/1369631886.db2.gz PSIWROOXUHBONE-YRWFTTLQSA-N 1 2 344.886 3.174 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)CCCC ZINC001113910715 1369655107 /nfs/dbraw/zinc/65/51/07/1369655107.db2.gz IUQKNSVETLLEEN-BYNSBNAKSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)CCCC ZINC001113910715 1369655109 /nfs/dbraw/zinc/65/51/09/1369655109.db2.gz IUQKNSVETLLEEN-BYNSBNAKSA-N 1 2 343.309 3.158 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CN(c3cc[nH+]c(C)n3)CC[C@H]2C)CCCC1 ZINC001114031132 1369693355 /nfs/dbraw/zinc/69/33/55/1369693355.db2.gz QZYWQYYXFXXDFK-NVXWUHKLSA-N 1 2 342.487 3.253 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)CC[C@H]1C ZINC001114046007 1369700553 /nfs/dbraw/zinc/70/05/53/1369700553.db2.gz IXZPCSJAHSWKOH-CXAGYDPISA-N 1 2 330.476 3.089 20 30 EGEDLO C[C@H](c1ccccc1)[N@@H+]1CCC(F)(F)C[C@H]1C(=O)NC1(C#N)CCC1 ZINC001187022827 1388042452 /nfs/dbraw/zinc/04/24/52/1388042452.db2.gz GGDGUHJEOQTBON-ZBFHGGJFSA-N 1 2 347.409 3.410 20 30 EGEDLO C[C@H](c1ccccc1)[N@H+]1CCC(F)(F)C[C@H]1C(=O)NC1(C#N)CCC1 ZINC001187022827 1388042455 /nfs/dbraw/zinc/04/24/55/1388042455.db2.gz GGDGUHJEOQTBON-ZBFHGGJFSA-N 1 2 347.409 3.410 20 30 EGEDLO N#Cc1cnn(-c2ncccn2)c1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001203717383 1370232911 /nfs/dbraw/zinc/23/29/11/1370232911.db2.gz BDZZTUFGCLTDJW-UHFFFAOYSA-N 1 2 345.410 3.268 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nccc(C)n3)C[C@H]21 ZINC001115164333 1370322127 /nfs/dbraw/zinc/32/21/27/1370322127.db2.gz UBDYBPDMIPAIGQ-YRWFTTLQSA-N 1 2 344.503 3.082 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nccc(C)n3)C[C@H]21 ZINC001115164333 1370322131 /nfs/dbraw/zinc/32/21/31/1370322131.db2.gz UBDYBPDMIPAIGQ-YRWFTTLQSA-N 1 2 344.503 3.082 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cscn4)C[C@H]32)CCCCC1 ZINC001115277618 1370355961 /nfs/dbraw/zinc/35/59/61/1370355961.db2.gz DNHAYQXBEPZIEE-FVQHAEBGSA-N 1 2 345.512 3.216 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cscn4)C[C@H]32)CCCCC1 ZINC001115277618 1370355965 /nfs/dbraw/zinc/35/59/65/1370355965.db2.gz DNHAYQXBEPZIEE-FVQHAEBGSA-N 1 2 345.512 3.216 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(SC)cc1 ZINC001204141626 1370389184 /nfs/dbraw/zinc/38/91/84/1370389184.db2.gz VMXSUSQFTBIYLW-SFHVURJKSA-N 1 2 343.496 3.444 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(SC)cc1 ZINC001204141626 1370389190 /nfs/dbraw/zinc/38/91/90/1370389190.db2.gz VMXSUSQFTBIYLW-SFHVURJKSA-N 1 2 343.496 3.444 20 30 EGEDLO C=CCCC(=O)NCC1([NH2+]Cc2noc(C(C)(C)C)n2)CCCCC1 ZINC001115441896 1370454879 /nfs/dbraw/zinc/45/48/79/1370454879.db2.gz VVQXUOFNAKIUQT-UHFFFAOYSA-N 1 2 348.491 3.242 20 30 EGEDLO C#CCC1(C(=O)N(C)C[C@H](C)Nc2cc[nH+]c(C)n2)CCCCC1 ZINC001115758948 1370741728 /nfs/dbraw/zinc/74/17/28/1370741728.db2.gz XNHDAGRTXRVCKJ-HNNXBMFYSA-N 1 2 328.460 3.018 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)ccc1F ZINC001205473168 1370765828 /nfs/dbraw/zinc/76/58/28/1370765828.db2.gz QURDWCCYGOLTNK-DLBZAZTESA-N 1 2 341.411 3.139 20 30 EGEDLO N#Cc1cc(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)ccc1F ZINC001205473168 1370765829 /nfs/dbraw/zinc/76/58/29/1370765829.db2.gz QURDWCCYGOLTNK-DLBZAZTESA-N 1 2 341.411 3.139 20 30 EGEDLO N#CCOc1ccccc1-c1ccc(C[NH+]2CCOCC2)cc1F ZINC001206712411 1371143094 /nfs/dbraw/zinc/14/30/94/1371143094.db2.gz MNHGMMBHJCYODL-UHFFFAOYSA-N 1 2 326.371 3.227 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2cc(Cl)ccc2F)C[C@H]1C ZINC001206938301 1371234401 /nfs/dbraw/zinc/23/44/01/1371234401.db2.gz QFGJLNNUEIOOPE-CXAGYDPISA-N 1 2 336.838 3.075 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2F)C[C@H]1C ZINC001206938301 1371234405 /nfs/dbraw/zinc/23/44/05/1371234405.db2.gz QFGJLNNUEIOOPE-CXAGYDPISA-N 1 2 336.838 3.075 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2nc(C(C)(C)C)cs2)C[C@H]1C ZINC001206947399 1371239997 /nfs/dbraw/zinc/23/99/97/1371239997.db2.gz SPDLVKMOLONFND-HUUCEWRRSA-N 1 2 347.528 3.037 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2nc(C(C)(C)C)cs2)C[C@H]1C ZINC001206947399 1371240001 /nfs/dbraw/zinc/24/00/01/1371240001.db2.gz SPDLVKMOLONFND-HUUCEWRRSA-N 1 2 347.528 3.037 20 30 EGEDLO Cn1cc(C[N@@H+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)cc1C#N ZINC001207109502 1371297075 /nfs/dbraw/zinc/29/70/75/1371297075.db2.gz MSKXPRGIRSPDLJ-SFHVURJKSA-N 1 2 329.831 3.298 20 30 EGEDLO Cn1cc(C[N@H+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)cc1C#N ZINC001207109502 1371297076 /nfs/dbraw/zinc/29/70/76/1371297076.db2.gz MSKXPRGIRSPDLJ-SFHVURJKSA-N 1 2 329.831 3.298 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001207158404 1371315160 /nfs/dbraw/zinc/31/51/60/1371315160.db2.gz QAUWYQWGYMVQKM-UKRRQHHQSA-N 1 2 335.879 3.274 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001207158404 1371315163 /nfs/dbraw/zinc/31/51/63/1371315163.db2.gz QAUWYQWGYMVQKM-UKRRQHHQSA-N 1 2 335.879 3.274 20 30 EGEDLO CC[C@@H](CO)Nc1cc(N[C@H]2CCCc3cc(C#N)ccc32)nc[nH+]1 ZINC001119968520 1371435774 /nfs/dbraw/zinc/43/57/74/1371435774.db2.gz ZKDKHVCGUZOMDN-RDJZCZTQSA-N 1 2 337.427 3.021 20 30 EGEDLO CC[C@@H](CO)Nc1cc(N[C@H]2CCCc3cc(C#N)ccc32)[nH+]cn1 ZINC001119968520 1371435776 /nfs/dbraw/zinc/43/57/76/1371435776.db2.gz ZKDKHVCGUZOMDN-RDJZCZTQSA-N 1 2 337.427 3.021 20 30 EGEDLO CCCC[C@@](C)(F)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001207771507 1371499772 /nfs/dbraw/zinc/49/97/72/1371499772.db2.gz WWFAVIGGAXCDIL-XFQXTVEOSA-N 1 2 345.462 3.413 20 30 EGEDLO CCCC[C@@](C)(F)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001207771507 1371499775 /nfs/dbraw/zinc/49/97/75/1371499775.db2.gz WWFAVIGGAXCDIL-XFQXTVEOSA-N 1 2 345.462 3.413 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc(C3CC3)no2)C[C@H]1C ZINC001208302013 1371706379 /nfs/dbraw/zinc/70/63/79/1371706379.db2.gz UNYQYAZDIUQBBY-VNHYZAJKSA-N 1 2 346.475 3.047 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc(C3CC3)no2)C[C@H]1C ZINC001208302013 1371706384 /nfs/dbraw/zinc/70/63/84/1371706384.db2.gz UNYQYAZDIUQBBY-VNHYZAJKSA-N 1 2 346.475 3.047 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001208391034 1371749483 /nfs/dbraw/zinc/74/94/83/1371749483.db2.gz ICRSUOKLHAREHI-LZLYRXPVSA-N 1 2 332.492 3.003 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001208391034 1371749486 /nfs/dbraw/zinc/74/94/86/1371749486.db2.gz ICRSUOKLHAREHI-LZLYRXPVSA-N 1 2 332.492 3.003 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ncc(C(C)C)o2)C[C@H]1C ZINC001208396403 1371753192 /nfs/dbraw/zinc/75/31/92/1371753192.db2.gz UWAUGBDFJNCMFS-BZUAXINKSA-N 1 2 333.476 3.337 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C(C)C)o2)C[C@H]1C ZINC001208396403 1371753193 /nfs/dbraw/zinc/75/31/93/1371753193.db2.gz UWAUGBDFJNCMFS-BZUAXINKSA-N 1 2 333.476 3.337 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc(C(C)(C)C)no2)C[C@H]1C ZINC001208458482 1371774604 /nfs/dbraw/zinc/77/46/04/1371774604.db2.gz LDOUTZFQHJOETH-RBSFLKMASA-N 1 2 348.491 3.221 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc(C(C)(C)C)no2)C[C@H]1C ZINC001208458482 1371774611 /nfs/dbraw/zinc/77/46/11/1371774611.db2.gz LDOUTZFQHJOETH-RBSFLKMASA-N 1 2 348.491 3.221 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001208511995 1371794255 /nfs/dbraw/zinc/79/42/55/1371794255.db2.gz QXQXHMKLXBZXCH-NRXGSXMXSA-N 1 2 331.460 3.091 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001208511995 1371794259 /nfs/dbraw/zinc/79/42/59/1371794259.db2.gz QXQXHMKLXBZXCH-NRXGSXMXSA-N 1 2 331.460 3.091 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2nc(C(C)C)no2)C1 ZINC001209346972 1372073280 /nfs/dbraw/zinc/07/32/80/1372073280.db2.gz XXFVTNBYHPHORR-LSDHHAIUSA-N 1 2 334.464 3.191 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H](C)CC)C1 ZINC001209680735 1372168871 /nfs/dbraw/zinc/16/88/71/1372168871.db2.gz RTFQAIBOLHFYAB-YRGRVCCFSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H](C)CC)C1 ZINC001209680735 1372168875 /nfs/dbraw/zinc/16/88/75/1372168875.db2.gz RTFQAIBOLHFYAB-YRGRVCCFSA-N 1 2 331.298 3.158 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC001209865009 1372217145 /nfs/dbraw/zinc/21/71/45/1372217145.db2.gz AHEZAYNIQQGTDG-CQSZACIVSA-N 1 2 348.491 3.050 20 30 EGEDLO N#C[C@@H]1C[NH2+]CCN1Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC001210121016 1372275481 /nfs/dbraw/zinc/27/54/81/1372275481.db2.gz ITCZBZCQVPKDFS-QGZVFWFLSA-N 1 2 341.842 3.216 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)CC(C)C)C1 ZINC001210135567 1372278120 /nfs/dbraw/zinc/27/81/20/1372278120.db2.gz UVURFNRBRNLALJ-TZMCWYRMSA-N 1 2 345.325 3.404 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)CC(C)C)C1 ZINC001210135567 1372278121 /nfs/dbraw/zinc/27/81/21/1372278121.db2.gz UVURFNRBRNLALJ-TZMCWYRMSA-N 1 2 345.325 3.404 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@](C)(OC)C1 ZINC001122623061 1372285827 /nfs/dbraw/zinc/28/58/27/1372285827.db2.gz OPRRBYLUFDFNMW-APWZRJJASA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@](C)(OC)C1 ZINC001122623061 1372285829 /nfs/dbraw/zinc/28/58/29/1372285829.db2.gz OPRRBYLUFDFNMW-APWZRJJASA-N 1 2 347.507 3.016 20 30 EGEDLO N#C[C@@H](OCC[NH+]1CCOCC1)c1cccc(Oc2ccccc2)c1 ZINC001210208407 1372294880 /nfs/dbraw/zinc/29/48/80/1372294880.db2.gz SATUIKVXGAYEJT-HXUWFJFHSA-N 1 2 338.407 3.392 20 30 EGEDLO Cc1cc(N[C@H]2C[C@@H](C)N(C(=O)C#CC(C)(C)C)C2)nc(C2CC2)[nH+]1 ZINC001123202961 1372396531 /nfs/dbraw/zinc/39/65/31/1372396531.db2.gz MIZZAQDIVQYMBW-ZBFHGGJFSA-N 1 2 340.471 3.113 20 30 EGEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1N(c1cc(C)[nH+]c(CC)n1)CC2 ZINC001123460561 1372477981 /nfs/dbraw/zinc/47/79/81/1372477981.db2.gz YDSVIGNKMZGUQZ-UZLBHIALSA-N 1 2 342.487 3.321 20 30 EGEDLO C=C[C@@H](C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1)c1ccccc1 ZINC001123656621 1372544419 /nfs/dbraw/zinc/54/44/19/1372544419.db2.gz HXMBXBOODJBSCD-HXUWFJFHSA-N 1 2 336.435 3.006 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2ccc(C)cc2)C1 ZINC001211395536 1372549395 /nfs/dbraw/zinc/54/93/95/1372549395.db2.gz YSWOWZDTZGYOMD-HDMKZQKVSA-N 1 2 334.891 3.363 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2ccc(C)cc2)C1 ZINC001211395536 1372549398 /nfs/dbraw/zinc/54/93/98/1372549398.db2.gz YSWOWZDTZGYOMD-HDMKZQKVSA-N 1 2 334.891 3.363 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@H](CNc3cc[nH+]c(C)n3)C2)CC1 ZINC001123867273 1372612091 /nfs/dbraw/zinc/61/20/91/1372612091.db2.gz OUYYTAXJXUVBCI-JKSUJKDBSA-N 1 2 328.460 3.228 20 30 EGEDLO C=CCCC1(C(=O)N2C[C@@H](Nc3cc[nH+]c(C)n3)C(C)(C)C2)CC1 ZINC001124012483 1372657292 /nfs/dbraw/zinc/65/72/92/1372657292.db2.gz XBEOWFDYOZEHCW-OAHLLOKOSA-N 1 2 328.460 3.180 20 30 EGEDLO C[C@@H]1CN(c2ccc(Nc3ccccc3OCC#N)c[nH+]2)C[C@H](C)O1 ZINC001212596468 1372735112 /nfs/dbraw/zinc/73/51/12/1372735112.db2.gz VBTNAMSRTUTVNU-GASCZTMLSA-N 1 2 338.411 3.341 20 30 EGEDLO COc1ccc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c(C#N)c1 ZINC001212780035 1372770964 /nfs/dbraw/zinc/77/09/64/1372770964.db2.gz SFWHIKKNIZIZRO-OKILXGFUSA-N 1 2 338.411 3.319 20 30 EGEDLO Cc1nc(N(C)CCN(C(=O)C#CC(C)(C)C)C(C)C)c(C)c(C)[nH+]1 ZINC001125509799 1372798092 /nfs/dbraw/zinc/79/80/92/1372798092.db2.gz BSHJJUIKAAPANQ-UHFFFAOYSA-N 1 2 344.503 3.125 20 30 EGEDLO N#Cc1cc(Nc2cc(Br)c3[nH+]ccn3c2)ccc1N ZINC001213431269 1372905192 /nfs/dbraw/zinc/90/51/92/1372905192.db2.gz KKGILCHQPLVWHX-UHFFFAOYSA-N 1 2 328.173 3.294 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+](Cc3csc(C)n3)C[C@H]21 ZINC001188064036 1388233103 /nfs/dbraw/zinc/23/31/03/1388233103.db2.gz XUTZKGJTAMIXEH-GOEBONIOSA-N 1 2 333.501 3.087 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](Cc3csc(C)n3)C[C@H]21 ZINC001188064036 1388233107 /nfs/dbraw/zinc/23/31/07/1388233107.db2.gz XUTZKGJTAMIXEH-GOEBONIOSA-N 1 2 333.501 3.087 20 30 EGEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)c3ccc(F)c(F)c3)C[C@H]21 ZINC001221530497 1373777648 /nfs/dbraw/zinc/77/76/48/1373777648.db2.gz NULZJHUQALOTFJ-IDHHARJASA-N 1 2 346.421 3.218 20 30 EGEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@H+]([C@H](C)c3ccc(F)c(F)c3)C[C@H]21 ZINC001221530497 1373777651 /nfs/dbraw/zinc/77/76/51/1373777651.db2.gz NULZJHUQALOTFJ-IDHHARJASA-N 1 2 346.421 3.218 20 30 EGEDLO CCOC(=O)Cc1ccc(C(=O)/C=C/c2ccc[nH+]c2N(C)C)cc1 ZINC001326690858 1388283084 /nfs/dbraw/zinc/28/30/84/1388283084.db2.gz SNPDSWVZPXCVJM-VAWYXSNFSA-N 1 2 338.407 3.149 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)CCCCC)CC[C@H]1C ZINC001131825950 1373825309 /nfs/dbraw/zinc/82/53/09/1373825309.db2.gz MOXSWBFDUCPENV-KGLIPLIRSA-N 1 2 331.298 3.444 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)CCCCC)CC[C@H]1C ZINC001131825950 1373825314 /nfs/dbraw/zinc/82/53/14/1373825314.db2.gz MOXSWBFDUCPENV-KGLIPLIRSA-N 1 2 331.298 3.444 20 30 EGEDLO CC(C)SCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001131860965 1373846723 /nfs/dbraw/zinc/84/67/23/1373846723.db2.gz FJRMKHMUAZPKCW-QAPCUYQASA-N 1 2 345.512 3.169 20 30 EGEDLO CC(C)SCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001131860965 1373846733 /nfs/dbraw/zinc/84/67/33/1373846733.db2.gz FJRMKHMUAZPKCW-QAPCUYQASA-N 1 2 345.512 3.169 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)CCC2CCC2)CC[C@@H]1C ZINC001131950740 1375065694 /nfs/dbraw/zinc/06/56/94/1375065694.db2.gz NNAXRJMMRNXPGI-ZFWWWQNUSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)CCC2CCC2)CC[C@@H]1C ZINC001131950740 1375065696 /nfs/dbraw/zinc/06/56/96/1375065696.db2.gz NNAXRJMMRNXPGI-ZFWWWQNUSA-N 1 2 343.309 3.444 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001131959440 1375070994 /nfs/dbraw/zinc/07/09/94/1375070994.db2.gz FORUTYREIYFNFC-CRAIPNDOSA-N 1 2 346.421 3.410 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001131959440 1375071002 /nfs/dbraw/zinc/07/10/02/1375071002.db2.gz FORUTYREIYFNFC-CRAIPNDOSA-N 1 2 346.421 3.410 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2csc(C)n2)C1 ZINC001131976189 1375079664 /nfs/dbraw/zinc/07/96/64/1375079664.db2.gz IFGGKEYMRAPPIS-GDBMZVCRSA-N 1 2 333.501 3.114 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2csc(C)n2)C1 ZINC001131976189 1375079669 /nfs/dbraw/zinc/07/96/69/1375079669.db2.gz IFGGKEYMRAPPIS-GDBMZVCRSA-N 1 2 333.501 3.114 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(F)c2F)C1 ZINC001132002428 1375092970 /nfs/dbraw/zinc/09/29/70/1375092970.db2.gz JTORSZHWLXHADB-GOEBONIOSA-N 1 2 334.410 3.237 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(F)c2F)C1 ZINC001132002428 1375092976 /nfs/dbraw/zinc/09/29/76/1375092976.db2.gz JTORSZHWLXHADB-GOEBONIOSA-N 1 2 334.410 3.237 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001132002668 1375093787 /nfs/dbraw/zinc/09/37/87/1375093787.db2.gz MFQLAVCCCLHGDF-GOEBONIOSA-N 1 2 333.863 3.008 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001132002668 1375093793 /nfs/dbraw/zinc/09/37/93/1375093793.db2.gz MFQLAVCCCLHGDF-GOEBONIOSA-N 1 2 333.863 3.008 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1ccncc1Cl ZINC001132034236 1375109406 /nfs/dbraw/zinc/10/94/06/1375109406.db2.gz PKZLGHOBRHMQHE-GOEBONIOSA-N 1 2 347.890 3.254 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1ccncc1Cl ZINC001132034236 1375109408 /nfs/dbraw/zinc/10/94/08/1375109408.db2.gz PKZLGHOBRHMQHE-GOEBONIOSA-N 1 2 347.890 3.254 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2(CCOCC)CCC2)CC[C@@H]1C ZINC001132050869 1375118572 /nfs/dbraw/zinc/11/85/72/1375118572.db2.gz VCVGCQZASKRBLW-HOTGVXAUSA-N 1 2 342.911 3.305 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2(CCOCC)CCC2)CC[C@@H]1C ZINC001132050869 1375118574 /nfs/dbraw/zinc/11/85/74/1375118574.db2.gz VCVGCQZASKRBLW-HOTGVXAUSA-N 1 2 342.911 3.305 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc3n(n2)CCCC3)C1 ZINC001132071402 1375132456 /nfs/dbraw/zinc/13/24/56/1375132456.db2.gz ADUJQJUJKBTOQU-IAGOWNOFSA-N 1 2 344.503 3.045 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc3n(n2)CCCC3)C1 ZINC001132071402 1375132462 /nfs/dbraw/zinc/13/24/62/1375132462.db2.gz ADUJQJUJKBTOQU-IAGOWNOFSA-N 1 2 344.503 3.045 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCc2ccsc2)CC[C@H]1C ZINC001132115222 1375155244 /nfs/dbraw/zinc/15/52/44/1375155244.db2.gz ISKSJQGOZGPNQX-UKRRQHHQSA-N 1 2 326.893 3.402 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCc2ccsc2)CC[C@H]1C ZINC001132115222 1375155248 /nfs/dbraw/zinc/15/52/48/1375155248.db2.gz ISKSJQGOZGPNQX-UKRRQHHQSA-N 1 2 326.893 3.402 20 30 EGEDLO CC(C)=CC(=O)NC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC001225917888 1375175524 /nfs/dbraw/zinc/17/55/24/1375175524.db2.gz VBEHBYAUIMRQOS-UHFFFAOYSA-N 1 2 330.859 3.238 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)CC2(C)CC2)CC[C@H]1C ZINC001132191598 1375198812 /nfs/dbraw/zinc/19/88/12/1375198812.db2.gz VGPLURXVMXRQAP-OLZOCXBDSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)CC2(C)CC2)CC[C@H]1C ZINC001132191598 1375198816 /nfs/dbraw/zinc/19/88/16/1375198816.db2.gz VGPLURXVMXRQAP-OLZOCXBDSA-N 1 2 329.282 3.054 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001132235832 1375230365 /nfs/dbraw/zinc/23/03/65/1375230365.db2.gz UPILLZYFRRVWJX-DOTOQJQBSA-N 1 2 347.890 3.398 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001132235832 1375230367 /nfs/dbraw/zinc/23/03/67/1375230367.db2.gz UPILLZYFRRVWJX-DOTOQJQBSA-N 1 2 347.890 3.398 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001132256727 1375250437 /nfs/dbraw/zinc/25/04/37/1375250437.db2.gz PNSJLCJHBICESV-JKSUJKDBSA-N 1 2 345.487 3.379 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2noc3c2CCCC3)C1 ZINC001132256727 1375250444 /nfs/dbraw/zinc/25/04/44/1375250444.db2.gz PNSJLCJHBICESV-JKSUJKDBSA-N 1 2 345.487 3.379 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3ncc(C)o3)C2)CCC1 ZINC001132278904 1375262043 /nfs/dbraw/zinc/26/20/43/1375262043.db2.gz SMOHHSDBZJVGBE-GDBMZVCRSA-N 1 2 331.460 3.199 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3ncc(C)o3)C2)CCC1 ZINC001132278904 1375262046 /nfs/dbraw/zinc/26/20/46/1375262046.db2.gz SMOHHSDBZJVGBE-GDBMZVCRSA-N 1 2 331.460 3.199 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3cncc(F)c3)C2)CCC1 ZINC001132282929 1375265711 /nfs/dbraw/zinc/26/57/11/1375265711.db2.gz OUVAYYNHVDJQEG-MAUKXSAKSA-N 1 2 345.462 3.436 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3cncc(F)c3)C2)CCC1 ZINC001132282929 1375265717 /nfs/dbraw/zinc/26/57/17/1375265717.db2.gz OUVAYYNHVDJQEG-MAUKXSAKSA-N 1 2 345.462 3.436 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3cncc(F)c3)C2)CC1 ZINC001132291565 1375273316 /nfs/dbraw/zinc/27/33/16/1375273316.db2.gz KXVHJOQOACPXPS-QAPCUYQASA-N 1 2 345.462 3.436 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3cncc(F)c3)C2)CC1 ZINC001132291565 1375273321 /nfs/dbraw/zinc/27/33/21/1375273321.db2.gz KXVHJOQOACPXPS-QAPCUYQASA-N 1 2 345.462 3.436 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(CCCC)n1 ZINC001226522864 1375275547 /nfs/dbraw/zinc/27/55/47/1375275547.db2.gz LXGUQXDTXWDYLQ-HZPDHXFCSA-N 1 2 348.491 3.286 20 30 EGEDLO N#C[C@@H]1CC[C@@H](Oc2ncnc3c2CC[N@H+](Cc2ccccc2)C3)C1 ZINC001226558496 1375282854 /nfs/dbraw/zinc/28/28/54/1375282854.db2.gz CFXIOVGCZFWBRY-IAGOWNOFSA-N 1 2 334.423 3.106 20 30 EGEDLO N#C[C@@H]1CC[C@@H](Oc2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)C1 ZINC001226558496 1375282860 /nfs/dbraw/zinc/28/28/60/1375282860.db2.gz CFXIOVGCZFWBRY-IAGOWNOFSA-N 1 2 334.423 3.106 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(F)cn2)C1 ZINC001132330518 1375310522 /nfs/dbraw/zinc/31/05/22/1375310522.db2.gz IRPNNYVIMNKPDA-YOEHRIQHSA-N 1 2 333.451 3.292 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccc(F)cn2)C1 ZINC001132330518 1375310527 /nfs/dbraw/zinc/31/05/27/1375310527.db2.gz IRPNNYVIMNKPDA-YOEHRIQHSA-N 1 2 333.451 3.292 20 30 EGEDLO CC(=O)c1c(O)cccc1O[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001226772585 1375330588 /nfs/dbraw/zinc/33/05/88/1375330588.db2.gz AVWNYNCANDLZCH-KRWDZBQOSA-N 1 2 336.391 3.120 20 30 EGEDLO CC(=O)c1c(O)cccc1O[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001226772585 1375330592 /nfs/dbraw/zinc/33/05/92/1375330592.db2.gz AVWNYNCANDLZCH-KRWDZBQOSA-N 1 2 336.391 3.120 20 30 EGEDLO C#CCCCCC(=O)NC1CC[NH+](Cc2csc(CCC)n2)CC1 ZINC001226951488 1375367394 /nfs/dbraw/zinc/36/73/94/1375367394.db2.gz BETPPIDZJIRBMT-UHFFFAOYSA-N 1 2 347.528 3.370 20 30 EGEDLO CC(=O)c1cc(C#N)ccc1O[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001226974908 1375375680 /nfs/dbraw/zinc/37/56/80/1375375680.db2.gz LAJODERPIBFZRF-IBGZPJMESA-N 1 2 345.402 3.286 20 30 EGEDLO CC(=O)c1cc(C#N)ccc1O[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001226974908 1375375685 /nfs/dbraw/zinc/37/56/85/1375375685.db2.gz LAJODERPIBFZRF-IBGZPJMESA-N 1 2 345.402 3.286 20 30 EGEDLO C#CCCCC(=O)NC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC001227084780 1375387073 /nfs/dbraw/zinc/38/70/73/1375387073.db2.gz JTGYJIOSZHESHA-UHFFFAOYSA-N 1 2 342.870 3.076 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)COCCCCCC)CC[C@@H]1C ZINC001132445403 1375389412 /nfs/dbraw/zinc/38/94/12/1375389412.db2.gz NZQHLYCUIGUSDJ-HOTGVXAUSA-N 1 2 330.900 3.305 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)COCCCCCC)CC[C@@H]1C ZINC001132445403 1375389415 /nfs/dbraw/zinc/38/94/15/1375389415.db2.gz NZQHLYCUIGUSDJ-HOTGVXAUSA-N 1 2 330.900 3.305 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CN(CC)c2ccccc2)CC[C@H]1C ZINC001132508322 1375430957 /nfs/dbraw/zinc/43/09/57/1375430957.db2.gz HORQNVGEHZNZHS-SJORKVTESA-N 1 2 349.906 3.235 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CN(CC)c2ccccc2)CC[C@H]1C ZINC001132508322 1375430960 /nfs/dbraw/zinc/43/09/60/1375430960.db2.gz HORQNVGEHZNZHS-SJORKVTESA-N 1 2 349.906 3.235 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2(CCOC)CCCC2)CC[C@@H]1C ZINC001132525760 1375441915 /nfs/dbraw/zinc/44/19/15/1375441915.db2.gz VLPSAYDYZSDNRA-HOTGVXAUSA-N 1 2 342.911 3.305 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2(CCOC)CCCC2)CC[C@@H]1C ZINC001132525760 1375441917 /nfs/dbraw/zinc/44/19/17/1375441917.db2.gz VLPSAYDYZSDNRA-HOTGVXAUSA-N 1 2 342.911 3.305 20 30 EGEDLO C=C(C)CCC(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001227588067 1375447710 /nfs/dbraw/zinc/44/77/10/1375447710.db2.gz FBYOYAIGNMILKI-UHFFFAOYSA-N 1 2 337.445 3.093 20 30 EGEDLO C=CCC(C)(C)C(=O)NC1CC[NH+]([C@H](C)c2nc(C(C)C)no2)CC1 ZINC001229369340 1375820645 /nfs/dbraw/zinc/82/06/45/1375820645.db2.gz LLDWQTUBLCBXFP-CQSZACIVSA-N 1 2 348.491 3.437 20 30 EGEDLO CC[C@H](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001229776922 1375892587 /nfs/dbraw/zinc/89/25/87/1375892587.db2.gz YKSPFLKLVISQPX-LSDHHAIUSA-N 1 2 345.462 3.460 20 30 EGEDLO C=CCC1(C(=O)NC2CC[NH+](Cc3cnns3)CC2)CCCCC1 ZINC001230331934 1375999257 /nfs/dbraw/zinc/99/92/57/1375999257.db2.gz KJLLEAVJHPKHSW-UHFFFAOYSA-N 1 2 348.516 3.145 20 30 EGEDLO C#C[C@@H]1CCC[C@H]1Oc1ccc2c(c1)[C@H]1OCC[N@@H+](CCC)[C@@H]1CO2 ZINC001230428219 1376028091 /nfs/dbraw/zinc/02/80/91/1376028091.db2.gz VKBDIKPECRRJLL-OBZYLPMUSA-N 1 2 341.451 3.412 20 30 EGEDLO C#C[C@@H]1CCC[C@H]1Oc1ccc2c(c1)[C@H]1OCC[N@H+](CCC)[C@@H]1CO2 ZINC001230428219 1376028103 /nfs/dbraw/zinc/02/81/03/1376028103.db2.gz VKBDIKPECRRJLL-OBZYLPMUSA-N 1 2 341.451 3.412 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F)C(=O)CC1CCCC1 ZINC001230654645 1376118323 /nfs/dbraw/zinc/11/83/23/1376118323.db2.gz RPNHHSCXSMYFNI-GOSISDBHSA-N 1 2 343.446 3.310 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1F)C(=O)CC1CCCC1 ZINC001230654645 1376118335 /nfs/dbraw/zinc/11/83/35/1376118335.db2.gz RPNHHSCXSMYFNI-GOSISDBHSA-N 1 2 343.446 3.310 20 30 EGEDLO Cc1c(F)ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)c1F ZINC001231472585 1376248928 /nfs/dbraw/zinc/24/89/28/1376248928.db2.gz FOGULBMAHPBERY-UHFFFAOYSA-N 1 2 327.378 3.467 20 30 EGEDLO CCOc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)ccc1OC(=O)C(C)C ZINC001231560672 1376264853 /nfs/dbraw/zinc/26/48/53/1376264853.db2.gz DZJZTLKWXJYYFC-IBGZPJMESA-N 1 2 330.428 3.382 20 30 EGEDLO CCOc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)ccc1OC(=O)C(C)C ZINC001231560672 1376264862 /nfs/dbraw/zinc/26/48/62/1376264862.db2.gz DZJZTLKWXJYYFC-IBGZPJMESA-N 1 2 330.428 3.382 20 30 EGEDLO C#Cc1cccc(C[NH+]2CC3(C2)CCCN3C(=O)OC(C)(C)C)c1 ZINC001231658416 1376297745 /nfs/dbraw/zinc/29/77/45/1376297745.db2.gz VXGNQIIGMPNOMJ-UHFFFAOYSA-N 1 2 326.440 3.253 20 30 EGEDLO N#Cc1cccc(N2CC[NH+](Cc3cccc(Cl)c3O)CC2)c1 ZINC001231914503 1376350740 /nfs/dbraw/zinc/35/07/40/1376350740.db2.gz NBGOSSFUXHONLH-UHFFFAOYSA-N 1 2 327.815 3.239 20 30 EGEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)c1 ZINC001232679824 1376500878 /nfs/dbraw/zinc/50/08/78/1376500878.db2.gz SKBMAAONOROKJD-OAHLLOKOSA-N 1 2 330.334 3.195 20 30 EGEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)c1 ZINC001232679824 1376500879 /nfs/dbraw/zinc/50/08/79/1376500879.db2.gz SKBMAAONOROKJD-OAHLLOKOSA-N 1 2 330.334 3.195 20 30 EGEDLO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3Cc2ccc(C#N)cc2O)o1 ZINC001233384169 1376634482 /nfs/dbraw/zinc/63/44/82/1376634482.db2.gz KDQRMPQZUBQYFN-MOPGFXCFSA-N 1 2 337.423 3.014 20 30 EGEDLO Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3Cc2ccc(C#N)cc2O)o1 ZINC001233384169 1376634486 /nfs/dbraw/zinc/63/44/86/1376634486.db2.gz KDQRMPQZUBQYFN-MOPGFXCFSA-N 1 2 337.423 3.014 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)c1cc(F)ccc1F ZINC001233915315 1376737269 /nfs/dbraw/zinc/73/72/69/1376737269.db2.gz MYZSMIRFVPNADD-GOEBONIOSA-N 1 2 334.410 3.362 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)c1cc(F)ccc1F ZINC001233915315 1376737271 /nfs/dbraw/zinc/73/72/71/1376737271.db2.gz MYZSMIRFVPNADD-GOEBONIOSA-N 1 2 334.410 3.362 20 30 EGEDLO CC[C@H](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001233927087 1376738936 /nfs/dbraw/zinc/73/89/36/1376738936.db2.gz VTPVYWLNEOGYKE-WMLDXEAASA-N 1 2 331.435 3.166 20 30 EGEDLO CC[C@H](C)CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001233927087 1376738937 /nfs/dbraw/zinc/73/89/37/1376738937.db2.gz VTPVYWLNEOGYKE-WMLDXEAASA-N 1 2 331.435 3.166 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(OC)ccc1Cl ZINC001233948314 1376741899 /nfs/dbraw/zinc/74/18/99/1376741899.db2.gz UYDGGBCHZDMDQV-INIZCTEOSA-N 1 2 348.874 3.185 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cc(OC)ccc1Cl ZINC001233948314 1376741911 /nfs/dbraw/zinc/74/19/11/1376741911.db2.gz UYDGGBCHZDMDQV-INIZCTEOSA-N 1 2 348.874 3.185 20 30 EGEDLO COc1cc(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c(Cl)cn1 ZINC001234218012 1376789447 /nfs/dbraw/zinc/78/94/47/1376789447.db2.gz CHOIDGOHZQRTJK-HNNXBMFYSA-N 1 2 343.814 3.269 20 30 EGEDLO COc1cc(O[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c(Cl)cn1 ZINC001234218012 1376789454 /nfs/dbraw/zinc/78/94/54/1376789454.db2.gz CHOIDGOHZQRTJK-HNNXBMFYSA-N 1 2 343.814 3.269 20 30 EGEDLO N#Cc1cc(F)c(C[N@@H+]2CCC[C@H](Oc3ccncc3)C2)c(F)c1 ZINC001235667302 1376882679 /nfs/dbraw/zinc/88/26/79/1376882679.db2.gz OFOYWMXGPVOPCP-HNNXBMFYSA-N 1 2 329.350 3.275 20 30 EGEDLO N#Cc1cc(F)c(C[N@H+]2CCC[C@H](Oc3ccncc3)C2)c(F)c1 ZINC001235667302 1376882689 /nfs/dbraw/zinc/88/26/89/1376882689.db2.gz OFOYWMXGPVOPCP-HNNXBMFYSA-N 1 2 329.350 3.275 20 30 EGEDLO C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C1CCC1 ZINC001235743251 1376888006 /nfs/dbraw/zinc/88/80/06/1376888006.db2.gz PGMWHOSGTIUSBB-KSSFIOAISA-N 1 2 343.446 3.166 20 30 EGEDLO C[C@H](C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C1CCC1 ZINC001235743251 1376888010 /nfs/dbraw/zinc/88/80/10/1376888010.db2.gz PGMWHOSGTIUSBB-KSSFIOAISA-N 1 2 343.446 3.166 20 30 EGEDLO C[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C1CCC1 ZINC001235743297 1376888817 /nfs/dbraw/zinc/88/88/17/1376888817.db2.gz PRJVSNBJVKHXNC-DNVCBOLYSA-N 1 2 325.456 3.027 20 30 EGEDLO C[C@@H](C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C1CCC1 ZINC001235743297 1376888820 /nfs/dbraw/zinc/88/88/20/1376888820.db2.gz PRJVSNBJVKHXNC-DNVCBOLYSA-N 1 2 325.456 3.027 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(F)(F)C(F)F)cc1 ZINC001135156065 1376940180 /nfs/dbraw/zinc/94/01/80/1376940180.db2.gz BHMDRTOSQGBPGP-VXGBXAGGSA-N 1 2 344.352 3.055 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(F)(F)C(F)F ZINC001135180401 1376952853 /nfs/dbraw/zinc/95/28/53/1376952853.db2.gz GRCJUPQWTDBJIL-QWRGUYRKSA-N 1 2 326.378 3.362 20 30 EGEDLO CCc1cc(C[NH+]2CCN(C(=O)c3cccc(C)c3)CC2)ccc1C#N ZINC001238778328 1377001498 /nfs/dbraw/zinc/00/14/98/1377001498.db2.gz LXQVAODWIWCPHL-UHFFFAOYSA-N 1 2 347.462 3.387 20 30 EGEDLO CC(C)C[C@@H](C)CC(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001266348139 1377287466 /nfs/dbraw/zinc/28/74/66/1377287466.db2.gz XJCDJFOPFNCIPG-OAHLLOKOSA-N 1 2 333.451 3.318 20 30 EGEDLO CC(C)C[C@@H](C)CC(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001266348139 1377287467 /nfs/dbraw/zinc/28/74/67/1377287467.db2.gz XJCDJFOPFNCIPG-OAHLLOKOSA-N 1 2 333.451 3.318 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)NC(C)(C)c2cccc(C(=C)C)c2)CC1 ZINC001189263615 1388500415 /nfs/dbraw/zinc/50/04/15/1388500415.db2.gz JZSDKPPVNXFDSZ-UHFFFAOYSA-N 1 2 327.472 3.468 20 30 EGEDLO C#CCOc1ccc(C[NH+]2CC(CC)(NC(=O)OC(C)(C)C)C2)cc1 ZINC001138560534 1377742226 /nfs/dbraw/zinc/74/22/26/1377742226.db2.gz YVUFKEATXUGCHB-UHFFFAOYSA-N 1 2 344.455 3.188 20 30 EGEDLO C#CCOc1ccc(CN2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)cc1 ZINC001138560990 1377742909 /nfs/dbraw/zinc/74/29/09/1377742909.db2.gz TVALMGISKKCAQH-SFHVURJKSA-N 1 2 334.410 3.004 20 30 EGEDLO N#CCCN(Cc1c[nH+]cn1Cc1ccccc1)Cc1cccnc1 ZINC001138561159 1377742977 /nfs/dbraw/zinc/74/29/77/1377742977.db2.gz CUXTZVGSYPKZDG-UHFFFAOYSA-N 1 2 331.423 3.242 20 30 EGEDLO C=CCc1cccc(CN2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)c1O ZINC001138630913 1377758281 /nfs/dbraw/zinc/75/82/81/1377758281.db2.gz GFJPDGKJCYADHC-QGZVFWFLSA-N 1 2 336.426 3.426 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(F)cnc1Cl)C2 ZINC001138892680 1377800864 /nfs/dbraw/zinc/80/08/64/1377800864.db2.gz USCOSHNWLURSCC-WBVHZDCISA-N 1 2 340.826 3.200 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(F)cnc1Cl)C2 ZINC001138892680 1377800865 /nfs/dbraw/zinc/80/08/65/1377800865.db2.gz USCOSHNWLURSCC-WBVHZDCISA-N 1 2 340.826 3.200 20 30 EGEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1cccc(Cl)c1C#N)CC2 ZINC001139688207 1377934931 /nfs/dbraw/zinc/93/49/31/1377934931.db2.gz BJNQDUKSQDYZBC-UHFFFAOYSA-N 1 2 343.858 3.355 20 30 EGEDLO CCC(=O)N(CC)C1CC[NH+](Cc2cccc(Cl)c2C#N)CC1 ZINC001139692510 1377936213 /nfs/dbraw/zinc/93/62/13/1377936213.db2.gz AYXHIEWAVXDTEI-UHFFFAOYSA-N 1 2 333.863 3.435 20 30 EGEDLO COc1cccc(O[C@@H]2CC[N@H+](Cc3cccc(Cl)c3C#N)C2)n1 ZINC001139692770 1377936411 /nfs/dbraw/zinc/93/64/11/1377936411.db2.gz IGYJPQFRZDUQKG-CQSZACIVSA-N 1 2 343.814 3.269 20 30 EGEDLO COc1cccc(O[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3C#N)C2)n1 ZINC001139692770 1377936412 /nfs/dbraw/zinc/93/64/12/1377936412.db2.gz IGYJPQFRZDUQKG-CQSZACIVSA-N 1 2 343.814 3.269 20 30 EGEDLO COc1cccc(CN2CC[NH+](Cc3ccc(C)c(C#N)c3)CC2)c1 ZINC001139726176 1377942059 /nfs/dbraw/zinc/94/20/59/1377942059.db2.gz XHXSAIJHISXQHJ-UHFFFAOYSA-N 1 2 335.451 3.193 20 30 EGEDLO Cn1c2ccccc2c(C[N@H+](CCC#N)Cc2ccccc2)cc1=O ZINC001139752835 1377946677 /nfs/dbraw/zinc/94/66/77/1377946677.db2.gz KYENSCVJSIGRDG-UHFFFAOYSA-N 1 2 331.419 3.454 20 30 EGEDLO Cn1c2ccccc2c(C[N@@H+](CCC#N)Cc2ccccc2)cc1=O ZINC001139752835 1377946678 /nfs/dbraw/zinc/94/66/78/1377946678.db2.gz KYENSCVJSIGRDG-UHFFFAOYSA-N 1 2 331.419 3.454 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cc(F)cc(C#N)c3)[C@@H]2C1 ZINC001139877929 1377970050 /nfs/dbraw/zinc/97/00/50/1377970050.db2.gz YXHKWUFBNBERMW-NVXWUHKLSA-N 1 2 345.418 3.139 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cc(F)cc(C#N)c3)[C@@H]2C1 ZINC001139877929 1377970051 /nfs/dbraw/zinc/97/00/51/1377970051.db2.gz YXHKWUFBNBERMW-NVXWUHKLSA-N 1 2 345.418 3.139 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2OC)C1 ZINC001140065196 1378000159 /nfs/dbraw/zinc/00/01/59/1378000159.db2.gz CIMYQMHARRTVLC-CQSZACIVSA-N 1 2 338.835 3.225 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2OC)C1 ZINC001140065196 1378000160 /nfs/dbraw/zinc/00/01/60/1378000160.db2.gz CIMYQMHARRTVLC-CQSZACIVSA-N 1 2 338.835 3.225 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140603347 1378095938 /nfs/dbraw/zinc/09/59/38/1378095938.db2.gz KJZPFVKUYCERMX-OAHLLOKOSA-N 1 2 333.819 3.088 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140603347 1378095942 /nfs/dbraw/zinc/09/59/42/1378095942.db2.gz KJZPFVKUYCERMX-OAHLLOKOSA-N 1 2 333.819 3.088 20 30 EGEDLO C#CC1CC[NH+](Cc2ccc(I)cc2F)CC1 ZINC001140733062 1378126544 /nfs/dbraw/zinc/12/65/44/1378126544.db2.gz BDFPLGNWSNNTIU-UHFFFAOYSA-N 1 2 343.183 3.276 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(O)cc(Cl)c3)CC2)cc1 ZINC001140794507 1378138030 /nfs/dbraw/zinc/13/80/30/1378138030.db2.gz NKFRBSATUGLIAN-UHFFFAOYSA-N 1 2 327.815 3.239 20 30 EGEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140926216 1378183329 /nfs/dbraw/zinc/18/33/29/1378183329.db2.gz IKLCXLKFKJLFPP-UHFFFAOYSA-N 1 2 349.862 3.075 20 30 EGEDLO C#C[C@@H]1CCC[N@H+](Cc2cc(I)ccc2F)C1 ZINC001141449538 1378327971 /nfs/dbraw/zinc/32/79/71/1378327971.db2.gz ZVHRKPKLWDPDQU-LLVKDONJSA-N 1 2 343.183 3.276 20 30 EGEDLO C#C[C@@H]1CCC[N@@H+](Cc2cc(I)ccc2F)C1 ZINC001141449538 1378327968 /nfs/dbraw/zinc/32/79/68/1378327968.db2.gz ZVHRKPKLWDPDQU-LLVKDONJSA-N 1 2 343.183 3.276 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@H+]1C[C@@H]2C(=O)CCC[C@@H]2C1 ZINC001141818795 1378382104 /nfs/dbraw/zinc/38/21/04/1378382104.db2.gz WANRPGFGDYAQPV-DOMZBBRYSA-N 1 2 333.229 3.122 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1C[C@@H]2C(=O)CCC[C@@H]2C1 ZINC001141818795 1378382110 /nfs/dbraw/zinc/38/21/10/1378382110.db2.gz WANRPGFGDYAQPV-DOMZBBRYSA-N 1 2 333.229 3.122 20 30 EGEDLO CSc1nc(C[NH+]2CCN(c3cccc(C)c3)CC2)ccc1C#N ZINC001141929180 1378395939 /nfs/dbraw/zinc/39/59/39/1378395939.db2.gz OSHDRGFKVQOWLK-UHFFFAOYSA-N 1 2 338.480 3.306 20 30 EGEDLO CNc1nc(Cl)ncc1C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001142498986 1378448373 /nfs/dbraw/zinc/44/83/73/1378448373.db2.gz LIRYVMOOHPZRPA-UHFFFAOYSA-N 1 2 340.858 3.435 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(F)ccc(C#N)c1F)C2 ZINC001143170990 1378553408 /nfs/dbraw/zinc/55/34/08/1378553408.db2.gz NRXZGSFSKIQTTP-KXBFYZLASA-N 1 2 348.393 3.163 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1c(F)ccc(C#N)c1F)C2 ZINC001143170990 1378553412 /nfs/dbraw/zinc/55/34/12/1378553412.db2.gz NRXZGSFSKIQTTP-KXBFYZLASA-N 1 2 348.393 3.163 20 30 EGEDLO C[NH+](C)[C@H](CNC(=O)C(C)(C)C#N)c1ccc(Cl)cc1Cl ZINC001143404446 1378593652 /nfs/dbraw/zinc/59/36/52/1378593652.db2.gz ITENOIQJJRSTAT-CYBMUJFWSA-N 1 2 328.243 3.262 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCC(C(=O)c3ccc(F)cc3F)CC2)nc1 ZINC001144163001 1378689682 /nfs/dbraw/zinc/68/96/82/1378689682.db2.gz IAWHMYUZLITSOP-UHFFFAOYSA-N 1 2 341.361 3.326 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCCC2CCOCC2)[C@@H]1C ZINC001284129541 1379507338 /nfs/dbraw/zinc/50/73/38/1379507338.db2.gz RQOWWHUUOCEPFE-DOTOQJQBSA-N 1 2 342.911 3.305 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCCC2CCOCC2)[C@@H]1C ZINC001284129541 1379507344 /nfs/dbraw/zinc/50/73/44/1379507344.db2.gz RQOWWHUUOCEPFE-DOTOQJQBSA-N 1 2 342.911 3.305 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C2(CC)CCCCC2)C1 ZINC001150770822 1379611274 /nfs/dbraw/zinc/61/12/74/1379611274.db2.gz HNOYKFHOSYONGG-MRXNPFEDSA-N 1 2 342.911 3.307 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C2(CC)CCCCC2)C1 ZINC001150770822 1379611278 /nfs/dbraw/zinc/61/12/78/1379611278.db2.gz HNOYKFHOSYONGG-MRXNPFEDSA-N 1 2 342.911 3.307 20 30 EGEDLO C=CCC1(C(=O)NC[C@H]2C[N@H+](CC(=C)Cl)CCCO2)CCCC1 ZINC001150884055 1379625686 /nfs/dbraw/zinc/62/56/86/1379625686.db2.gz OJKXAWGHKLADFE-INIZCTEOSA-N 1 2 340.895 3.083 20 30 EGEDLO C=CCC1(C(=O)NC[C@H]2C[N@@H+](CC(=C)Cl)CCCO2)CCCC1 ZINC001150884055 1379625697 /nfs/dbraw/zinc/62/56/97/1379625697.db2.gz OJKXAWGHKLADFE-INIZCTEOSA-N 1 2 340.895 3.083 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1cccc(F)c1 ZINC001151648561 1379756862 /nfs/dbraw/zinc/75/68/62/1379756862.db2.gz PDJUYXSLZSUFCU-GFCCVEGCSA-N 1 2 343.240 3.175 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1cccc(F)c1 ZINC001151648561 1379756864 /nfs/dbraw/zinc/75/68/64/1379756864.db2.gz PDJUYXSLZSUFCU-GFCCVEGCSA-N 1 2 343.240 3.175 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(Cl)o1 ZINC001151880537 1379809869 /nfs/dbraw/zinc/80/98/69/1379809869.db2.gz XSMFTULGNVWXPF-SNVBAGLBSA-N 1 2 349.656 3.282 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(Cl)o1 ZINC001151880537 1379809872 /nfs/dbraw/zinc/80/98/72/1379809872.db2.gz XSMFTULGNVWXPF-SNVBAGLBSA-N 1 2 349.656 3.282 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)CC1CCC1 ZINC001152579502 1379952438 /nfs/dbraw/zinc/95/24/38/1379952438.db2.gz VQEMMPYOTMLCCY-CQSZACIVSA-N 1 2 331.435 3.214 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)CC1CCC1 ZINC001152579502 1379952440 /nfs/dbraw/zinc/95/24/40/1379952440.db2.gz VQEMMPYOTMLCCY-CQSZACIVSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccoc1Cl ZINC001153012437 1380008026 /nfs/dbraw/zinc/00/80/26/1380008026.db2.gz KYPMRRYZWNZXFY-SNVBAGLBSA-N 1 2 349.656 3.282 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1ccoc1Cl ZINC001153012437 1380008029 /nfs/dbraw/zinc/00/80/29/1380008029.db2.gz KYPMRRYZWNZXFY-SNVBAGLBSA-N 1 2 349.656 3.282 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccoc1CC ZINC001153041285 1380012965 /nfs/dbraw/zinc/01/29/65/1380012965.db2.gz NLGZVXRZJABJRC-GFCCVEGCSA-N 1 2 343.265 3.191 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1ccoc1CC ZINC001153041285 1380012967 /nfs/dbraw/zinc/01/29/67/1380012967.db2.gz NLGZVXRZJABJRC-GFCCVEGCSA-N 1 2 343.265 3.191 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(F)ccc1C#N ZINC001153641871 1380109027 /nfs/dbraw/zinc/10/90/27/1380109027.db2.gz IVNASSRSHCFCHT-OAHLLOKOSA-N 1 2 331.435 3.380 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(F)ccc1C#N ZINC001153641871 1380109028 /nfs/dbraw/zinc/10/90/28/1380109028.db2.gz IVNASSRSHCFCHT-OAHLLOKOSA-N 1 2 331.435 3.380 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C)s1 ZINC001154609504 1380315577 /nfs/dbraw/zinc/31/55/77/1380315577.db2.gz JRYCQIDCYUSYIT-OAHLLOKOSA-N 1 2 335.517 3.362 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C)s1 ZINC001154609504 1380315579 /nfs/dbraw/zinc/31/55/79/1380315579.db2.gz JRYCQIDCYUSYIT-OAHLLOKOSA-N 1 2 335.517 3.362 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C2CC2)o1 ZINC001154719991 1380339767 /nfs/dbraw/zinc/33/97/67/1380339767.db2.gz RFTGKRJLKLZKCK-OAHLLOKOSA-N 1 2 331.460 3.072 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C2CC2)o1 ZINC001154719991 1380339769 /nfs/dbraw/zinc/33/97/69/1380339769.db2.gz RFTGKRJLKLZKCK-OAHLLOKOSA-N 1 2 331.460 3.072 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC1(C)C ZINC001154757050 1380346411 /nfs/dbraw/zinc/34/64/11/1380346411.db2.gz KMXUYNVFVKNKCV-OLZOCXBDSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC1(C)C ZINC001154757050 1380346414 /nfs/dbraw/zinc/34/64/14/1380346414.db2.gz KMXUYNVFVKNKCV-OLZOCXBDSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1coc(C2CC2)n1 ZINC001154757308 1380346428 /nfs/dbraw/zinc/34/64/28/1380346428.db2.gz OGTHYBAQKOLKEO-HUUCEWRRSA-N 1 2 333.476 3.481 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1coc(C2CC2)n1 ZINC001154757308 1380346431 /nfs/dbraw/zinc/34/64/31/1380346431.db2.gz OGTHYBAQKOLKEO-HUUCEWRRSA-N 1 2 333.476 3.481 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H](C)[N@H+](CC)Cc2nc(C)oc2C)CC1 ZINC001155028327 1380394569 /nfs/dbraw/zinc/39/45/69/1380394569.db2.gz YXMDXXWWRSKOLK-CQSZACIVSA-N 1 2 333.476 3.364 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2nc(C)oc2C)CC1 ZINC001155028327 1380394570 /nfs/dbraw/zinc/39/45/70/1380394570.db2.gz YXMDXXWWRSKOLK-CQSZACIVSA-N 1 2 333.476 3.364 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2nc(C)oc2C)CCC1 ZINC001155061982 1380401106 /nfs/dbraw/zinc/40/11/06/1380401106.db2.gz POXHFFKCAMOIOQ-CQSZACIVSA-N 1 2 333.476 3.364 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2nc(C)oc2C)CCC1 ZINC001155061982 1380401107 /nfs/dbraw/zinc/40/11/07/1380401107.db2.gz POXHFFKCAMOIOQ-CQSZACIVSA-N 1 2 333.476 3.364 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H](C)[N@H+](CC)Cc2ncc(C(C)C)o2)C1 ZINC001155118472 1380412089 /nfs/dbraw/zinc/41/20/89/1380412089.db2.gz CVCIKKRXIXARDZ-OAHLLOKOSA-N 1 2 333.476 3.481 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2ncc(C(C)C)o2)C1 ZINC001155118472 1380412091 /nfs/dbraw/zinc/41/20/91/1380412091.db2.gz CVCIKKRXIXARDZ-OAHLLOKOSA-N 1 2 333.476 3.481 20 30 EGEDLO C=CC1(CC(=O)NC[C@@H](C)[N@H+](CC)Cc2nccn2C)CCCCC1 ZINC001155788184 1380492260 /nfs/dbraw/zinc/49/22/60/1380492260.db2.gz BJLOFPXFMGTBDT-QGZVFWFLSA-N 1 2 346.519 3.273 20 30 EGEDLO C=CC1(CC(=O)NC[C@@H](C)[N@@H+](CC)Cc2nccn2C)CCCCC1 ZINC001155788184 1380492261 /nfs/dbraw/zinc/49/22/61/1380492261.db2.gz BJLOFPXFMGTBDT-QGZVFWFLSA-N 1 2 346.519 3.273 20 30 EGEDLO N#CCc1cc[nH+]c(N2CCC(Oc3cnc4ccccc4n3)CC2)c1 ZINC001155861510 1380499972 /nfs/dbraw/zinc/49/99/72/1380499972.db2.gz DBLWVLVFBLNELL-UHFFFAOYSA-N 1 2 345.406 3.139 20 30 EGEDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)c1nc(Cl)c(C#N)cc1C#N ZINC001156782741 1380633818 /nfs/dbraw/zinc/63/38/18/1380633818.db2.gz BRSPWOOWSYHKPH-UHFFFAOYSA-N 1 2 348.797 3.300 20 30 EGEDLO N#Cc1c(NC(=O)c2ccc3[nH+]c(N)[nH]c3c2)sc2ccccc12 ZINC001156964190 1380739108 /nfs/dbraw/zinc/73/91/08/1380739108.db2.gz GFVFBZXLABKUMK-UHFFFAOYSA-N 1 2 333.376 3.484 20 30 EGEDLO Cc1ccc(NCCSCc2csc(C[NH+](C)C)n2)nc1C#N ZINC001157336858 1380844200 /nfs/dbraw/zinc/84/42/00/1380844200.db2.gz SOCAIVPZCICSIH-UHFFFAOYSA-N 1 2 347.513 3.125 20 30 EGEDLO C=CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001157705499 1381009007 /nfs/dbraw/zinc/00/90/07/1381009007.db2.gz APSIUHHJIAGADF-LJQANCHMSA-N 1 2 343.446 3.476 20 30 EGEDLO C=CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC001157705499 1381009011 /nfs/dbraw/zinc/00/90/11/1381009011.db2.gz APSIUHHJIAGADF-LJQANCHMSA-N 1 2 343.446 3.476 20 30 EGEDLO COc1cc2cc[nH+]c(NC=CC(=O)C(F)(F)F)c2cc1OC ZINC001158557383 1381297601 /nfs/dbraw/zinc/29/76/01/1381297601.db2.gz KGOQWTLLEJQSIH-GQCTYLIASA-N 1 2 326.274 3.309 20 30 EGEDLO C=CCCC(=O)NCCC1=CC[N@H+]([C@@H](C)c2nnc(C)s2)CC1 ZINC001159544683 1381824115 /nfs/dbraw/zinc/82/41/15/1381824115.db2.gz YSZNUOZBJPZTCL-ZDUSSCGKSA-N 1 2 334.489 3.012 20 30 EGEDLO C=CCCC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nnc(C)s2)CC1 ZINC001159544683 1381824122 /nfs/dbraw/zinc/82/41/22/1381824122.db2.gz YSZNUOZBJPZTCL-ZDUSSCGKSA-N 1 2 334.489 3.012 20 30 EGEDLO C[C@@H]1CC(=O)C=C(Nc2ccc(O[C@H]3CC[NH2+]CC3(F)F)cc2)C1 ZINC001160350681 1382079626 /nfs/dbraw/zinc/07/96/26/1382079626.db2.gz OUJSCPURWCSAFH-SJCJKPOMSA-N 1 2 336.382 3.357 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CC=C(CCNC(=O)CCCF)CC1 ZINC001160941894 1382245280 /nfs/dbraw/zinc/24/52/80/1382245280.db2.gz SYHVJINDQBQYLJ-UHFFFAOYSA-N 1 2 347.409 3.085 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC=C(CCNC(=O)CCCF)CC1 ZINC001160941894 1382245284 /nfs/dbraw/zinc/24/52/84/1382245284.db2.gz SYHVJINDQBQYLJ-UHFFFAOYSA-N 1 2 347.409 3.085 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@H+](Cc2ncc(CC)o2)CC1 ZINC001160992452 1382265367 /nfs/dbraw/zinc/26/53/67/1382265367.db2.gz YKTGUYAXICBJFP-MRXNPFEDSA-N 1 2 345.487 3.478 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@@H+](Cc2ncc(CC)o2)CC1 ZINC001160992452 1382265373 /nfs/dbraw/zinc/26/53/73/1382265373.db2.gz YKTGUYAXICBJFP-MRXNPFEDSA-N 1 2 345.487 3.478 20 30 EGEDLO C=CCCCC(=O)NCCC1=CC[N@H+](Cc2ccn(C(C)C)n2)CC1 ZINC001161061906 1382286861 /nfs/dbraw/zinc/28/68/61/1382286861.db2.gz GNRPGJDZPXPZGA-UHFFFAOYSA-N 1 2 344.503 3.459 20 30 EGEDLO C=CCCCC(=O)NCCC1=CC[N@@H+](Cc2ccn(C(C)C)n2)CC1 ZINC001161061906 1382286866 /nfs/dbraw/zinc/28/68/66/1382286866.db2.gz GNRPGJDZPXPZGA-UHFFFAOYSA-N 1 2 344.503 3.459 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@@H+]([C@H](C)c2nnc(C)o2)CC1 ZINC001161121699 1382307753 /nfs/dbraw/zinc/30/77/53/1382307753.db2.gz QLRDWZIERSVNGC-KUHUBIRLSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@H+]([C@H](C)c2nnc(C)o2)CC1 ZINC001161121699 1382307757 /nfs/dbraw/zinc/30/77/57/1382307757.db2.gz QLRDWZIERSVNGC-KUHUBIRLSA-N 1 2 346.475 3.180 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1=CC[N@H+](Cc2ncc(CC)o2)CC1 ZINC001161335852 1382373941 /nfs/dbraw/zinc/37/39/41/1382373941.db2.gz HNIZDEWEOQSZPX-UHFFFAOYSA-N 1 2 345.487 3.478 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2ncc(CC)o2)CC1 ZINC001161335852 1382373944 /nfs/dbraw/zinc/37/39/44/1382373944.db2.gz HNIZDEWEOQSZPX-UHFFFAOYSA-N 1 2 345.487 3.478 20 30 EGEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NC[C@H]2CCCCO2)[nH+]1 ZINC001164689181 1383218193 /nfs/dbraw/zinc/21/81/93/1383218193.db2.gz FVHPCHVXPLFOAH-JDMXRAQBSA-N 1 2 337.489 3.252 20 30 EGEDLO N#Cc1cc(C(F)(F)N2CCC(n3cc[nH+]c3)CC2)cnc1Cl ZINC001165160699 1383239570 /nfs/dbraw/zinc/23/95/70/1383239570.db2.gz WDZKWWRSAVDGCX-UHFFFAOYSA-N 1 2 337.761 3.190 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1(C[NH2+]Cc2noc(C(C)C)n2)CC1 ZINC001165215487 1383251187 /nfs/dbraw/zinc/25/11/87/1383251187.db2.gz ZVORXSVYZSXLTK-UHFFFAOYSA-N 1 2 348.491 3.171 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1ccc(C)c(Cl)c1 ZINC001329474929 1389123608 /nfs/dbraw/zinc/12/36/08/1389123608.db2.gz RKZJYNLHIVHLPG-ZDUSSCGKSA-N 1 2 329.271 3.380 20 30 EGEDLO CCOC(=O)c1cc2c[nH+]c(N[C@@H](C)c3cccc(C#N)c3)nc2[nH]1 ZINC001167707187 1383718116 /nfs/dbraw/zinc/71/81/16/1383718116.db2.gz IVHSZGJLPOEETN-NSHDSACASA-N 1 2 335.367 3.131 20 30 EGEDLO CCC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2F)CCC1 ZINC001316602589 1384470192 /nfs/dbraw/zinc/47/01/92/1384470192.db2.gz UVLFDQFZEAXPBG-KRWDZBQOSA-N 1 2 343.446 3.310 20 30 EGEDLO CCC1(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2F)CCC1 ZINC001316602589 1384470194 /nfs/dbraw/zinc/47/01/94/1384470194.db2.gz UVLFDQFZEAXPBG-KRWDZBQOSA-N 1 2 343.446 3.310 20 30 EGEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCc2ccc(C)cc2C1 ZINC001172837717 1384862780 /nfs/dbraw/zinc/86/27/80/1384862780.db2.gz MCQCDMDVBQTQHY-SFTDATJTSA-N 1 2 348.446 3.098 20 30 EGEDLO C=CC[C@@H]([NH2+][C@@H](C)Cc1ccc(OC(F)(F)F)cc1)C(=O)OC ZINC001173074464 1384907751 /nfs/dbraw/zinc/90/77/51/1384907751.db2.gz FMTFLMMASKJLFM-SMDDNHRTSA-N 1 2 331.334 3.224 20 30 EGEDLO N#Cc1cc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)cs1 ZINC001174432551 1385108104 /nfs/dbraw/zinc/10/81/04/1385108104.db2.gz SEDMZRQAELOECL-UHFFFAOYSA-N 1 2 329.425 3.074 20 30 EGEDLO Cc1cc(C#N)cc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC001174433679 1385108116 /nfs/dbraw/zinc/10/81/16/1385108116.db2.gz MAAPNQOTHJITMN-UHFFFAOYSA-N 1 2 337.423 3.321 20 30 EGEDLO N#Cc1cc(F)cc(Nc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC001175684760 1385374003 /nfs/dbraw/zinc/37/40/03/1385374003.db2.gz ADLXMNYAARKIIG-UHFFFAOYSA-N 1 2 341.386 3.152 20 30 EGEDLO N#Cc1ccccc1C[NH2+][C@H](CNC(=O)c1ccoc1)c1ccccc1 ZINC001317714248 1385415897 /nfs/dbraw/zinc/41/58/97/1385415897.db2.gz OKISOZDROATJFO-HXUWFJFHSA-N 1 2 345.402 3.412 20 30 EGEDLO CCOC(=O)c1c(C)oc(Nc2ccc[nH+]c2N2CCCC2)c1C#N ZINC001176749288 1385681194 /nfs/dbraw/zinc/68/11/94/1385681194.db2.gz BPZDYRUNPMLCJK-UHFFFAOYSA-N 1 2 340.383 3.375 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]3OCC[N@@H+](CC(=C)C)[C@@H]3C2)CCCCC1 ZINC001177150968 1385835290 /nfs/dbraw/zinc/83/52/90/1385835290.db2.gz RSFZGHUUJLOBBH-MOPGFXCFSA-N 1 2 346.515 3.391 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]3OCC[N@H+](CC(=C)C)[C@@H]3C2)CCCCC1 ZINC001177150968 1385835297 /nfs/dbraw/zinc/83/52/97/1385835297.db2.gz RSFZGHUUJLOBBH-MOPGFXCFSA-N 1 2 346.515 3.391 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCC3CCCC3)C[C@H]21 ZINC001177158243 1385838708 /nfs/dbraw/zinc/83/87/08/1385838708.db2.gz WNMYXGGBYNFPEJ-RTBURBONSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCCC3CCCC3)C[C@H]21 ZINC001177158243 1385838711 /nfs/dbraw/zinc/83/87/11/1385838711.db2.gz WNMYXGGBYNFPEJ-RTBURBONSA-N 1 2 334.504 3.225 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H]([NH2+]Cc2nnc(C(C)C)o2)[C@@H]1C ZINC001178773840 1386299715 /nfs/dbraw/zinc/29/97/15/1386299715.db2.gz TZLAVMDWIZCCRO-HOCLYGCPSA-N 1 2 346.475 3.040 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1ccc2c(c1)CCC2 ZINC001320081426 1386499347 /nfs/dbraw/zinc/49/93/47/1386499347.db2.gz XFHIIEDEEWHCKX-UHFFFAOYSA-N 1 2 347.462 3.251 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1ccc2c(c1)CCC2 ZINC001320081426 1386499349 /nfs/dbraw/zinc/49/93/49/1386499349.db2.gz XFHIIEDEEWHCKX-UHFFFAOYSA-N 1 2 347.462 3.251 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccc(N(C)CCC)cc1 ZINC001320091559 1386506113 /nfs/dbraw/zinc/50/61/13/1386506113.db2.gz WJESASFEXSJEGI-UHFFFAOYSA-N 1 2 337.895 3.289 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccc(N(C)CCC)cc1 ZINC001320091559 1386506116 /nfs/dbraw/zinc/50/61/16/1386506116.db2.gz WJESASFEXSJEGI-UHFFFAOYSA-N 1 2 337.895 3.289 20 30 EGEDLO N#C[C@H]1CC[C@H]([NH2+]Cc2noc(-c3cccc(Br)c3)n2)C1 ZINC001321219291 1386845245 /nfs/dbraw/zinc/84/52/45/1386845245.db2.gz AZVAZANGGSZLDF-GWCFXTLKSA-N 1 2 347.216 3.281 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc3[nH]c4ccccc4c3c2)CC1 ZINC001182067086 1387101548 /nfs/dbraw/zinc/10/15/48/1387101548.db2.gz TXKVMVACUDMBQT-UHFFFAOYSA-N 1 2 333.435 3.194 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1ccc(C)c(Cl)c1 ZINC001329474929 1389123607 /nfs/dbraw/zinc/12/36/07/1389123607.db2.gz RKZJYNLHIVHLPG-ZDUSSCGKSA-N 1 2 329.271 3.380 20 30 EGEDLO C[C@H](NC(=O)CCC1CCC1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001329987628 1389280209 /nfs/dbraw/zinc/28/02/09/1389280209.db2.gz ZQPMRHSDULJMPG-AWEZNQCLSA-N 1 2 343.446 3.214 20 30 EGEDLO N#CCc1cccc(C(=O)N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)c1 ZINC001337377777 1389323550 /nfs/dbraw/zinc/32/35/50/1389323550.db2.gz KIXSHMGXBKBMFB-SFHVURJKSA-N 1 2 339.826 3.193 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)[C@H](C)CCSC ZINC001338895723 1389810064 /nfs/dbraw/zinc/81/00/64/1389810064.db2.gz LBHHPOSZFDMTQS-HUUCEWRRSA-N 1 2 337.537 3.199 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)[C@H](C)CCSC ZINC001338895723 1389810076 /nfs/dbraw/zinc/81/00/76/1389810076.db2.gz LBHHPOSZFDMTQS-HUUCEWRRSA-N 1 2 337.537 3.199 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC2(CCCC2)C1 ZINC001338895947 1389810208 /nfs/dbraw/zinc/81/02/08/1389810208.db2.gz MVYLSIDNDBJFHR-MRXNPFEDSA-N 1 2 329.492 3.391 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC2(CCCC2)C1 ZINC001338895947 1389810211 /nfs/dbraw/zinc/81/02/11/1389810211.db2.gz MVYLSIDNDBJFHR-MRXNPFEDSA-N 1 2 329.492 3.391 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCCC(F)(F)F)[C@@H]1C ZINC001332206174 1390043269 /nfs/dbraw/zinc/04/32/69/1390043269.db2.gz NKLTYABSQNFJQI-RYUDHWBXSA-N 1 2 326.790 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCCC(F)(F)F)[C@@H]1C ZINC001332206174 1390043274 /nfs/dbraw/zinc/04/32/74/1390043274.db2.gz NKLTYABSQNFJQI-RYUDHWBXSA-N 1 2 326.790 3.441 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC(OC(C)C)CC1 ZINC001339528172 1390056728 /nfs/dbraw/zinc/05/67/28/1390056728.db2.gz FDSSGNDREVJRNY-KRWDZBQOSA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC(OC(C)C)CC1 ZINC001339528172 1390056733 /nfs/dbraw/zinc/05/67/33/1390056733.db2.gz FDSSGNDREVJRNY-KRWDZBQOSA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC001339530152 1390057101 /nfs/dbraw/zinc/05/71/01/1390057101.db2.gz XTDKKPLFWPPMCH-ULQDDVLXSA-N 1 2 329.492 3.390 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC001339530152 1390057106 /nfs/dbraw/zinc/05/71/06/1390057106.db2.gz XTDKKPLFWPPMCH-ULQDDVLXSA-N 1 2 329.492 3.390 20 30 EGEDLO C=CC[C@@H]1CCCN(c2nnc([C@@H]3CCCC[N@H+]3C)n2CC=C)C1 ZINC001340390407 1390281754 /nfs/dbraw/zinc/28/17/54/1390281754.db2.gz OEXYWRCEQIQCHG-SJORKVTESA-N 1 2 329.492 3.413 20 30 EGEDLO C=CC[C@@H]1CCCN(c2nnc([C@@H]3CCCC[N@@H+]3C)n2CC=C)C1 ZINC001340390407 1390281756 /nfs/dbraw/zinc/28/17/56/1390281756.db2.gz OEXYWRCEQIQCHG-SJORKVTESA-N 1 2 329.492 3.413 20 30 EGEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001340422563 1390286537 /nfs/dbraw/zinc/28/65/37/1390286537.db2.gz URQFEVKCQUYJHD-IAGOWNOFSA-N 1 2 329.492 3.219 20 30 EGEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)CCC(C)(C)C ZINC001342019825 1390562728 /nfs/dbraw/zinc/56/27/28/1390562728.db2.gz KTPZOYSUOWYRCW-MRXNPFEDSA-N 1 2 349.523 3.118 20 30 EGEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)CCC(C)(C)C ZINC001342019825 1390562730 /nfs/dbraw/zinc/56/27/30/1390562730.db2.gz KTPZOYSUOWYRCW-MRXNPFEDSA-N 1 2 349.523 3.118 20 30 EGEDLO N#CCCCC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001343629798 1390727590 /nfs/dbraw/zinc/72/75/90/1390727590.db2.gz KFDLWFVAYCLEIO-UHFFFAOYSA-N 1 2 325.416 3.181 20 30 EGEDLO C=C(C)CN(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC(C)C ZINC001345110214 1390838145 /nfs/dbraw/zinc/83/81/45/1390838145.db2.gz KWZJKYGSEMXAMP-UHFFFAOYSA-N 1 2 344.507 3.039 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC001479829013 1392416025 /nfs/dbraw/zinc/41/60/25/1392416025.db2.gz ICWDQBYTMRXOSG-WBMJQRKESA-N 1 2 336.867 3.012 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001699003703 1406821795 /nfs/dbraw/zinc/82/17/95/1406821795.db2.gz CJIQILWGAMUYTD-CYBMUJFWSA-N 1 2 326.843 3.462 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001699003703 1406821798 /nfs/dbraw/zinc/82/17/98/1406821798.db2.gz CJIQILWGAMUYTD-CYBMUJFWSA-N 1 2 326.843 3.462 20 30 EGEDLO Cc1c(Cl)cccc1C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001690943740 1404849981 /nfs/dbraw/zinc/84/99/81/1404849981.db2.gz RZCZSZRDZXRAJC-UHFFFAOYSA-N 1 2 341.842 3.382 20 30 EGEDLO Cc1c(Cl)cccc1C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001690943740 1404849986 /nfs/dbraw/zinc/84/99/86/1404849986.db2.gz RZCZSZRDZXRAJC-UHFFFAOYSA-N 1 2 341.842 3.382 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001691860176 1405577155 /nfs/dbraw/zinc/57/71/55/1405577155.db2.gz DMWNTQAGBHMIKF-LLVKDONJSA-N 1 2 346.809 3.026 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001691860176 1405577160 /nfs/dbraw/zinc/57/71/60/1405577160.db2.gz DMWNTQAGBHMIKF-LLVKDONJSA-N 1 2 346.809 3.026 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCc2ccc(Cl)s2)C1 ZINC001692347618 1405966435 /nfs/dbraw/zinc/96/64/35/1405966435.db2.gz RJRVQFXXNVUQPK-UHFFFAOYSA-N 1 2 333.284 3.135 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cc2cccc(OC)c2o1 ZINC001699462243 1412818907 /nfs/dbraw/zinc/81/89/07/1412818907.db2.gz RMXUUCILXXIBBJ-LBPRGKRZSA-N 1 2 336.819 3.244 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cc2cccc(OC)c2o1 ZINC001699462243 1412818912 /nfs/dbraw/zinc/81/89/12/1412818912.db2.gz RMXUUCILXXIBBJ-LBPRGKRZSA-N 1 2 336.819 3.244 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cc(C)nn1C(CC)CC ZINC001700465873 1414073083 /nfs/dbraw/zinc/07/30/83/1414073083.db2.gz IUCCOYLENSWNRC-AWEZNQCLSA-N 1 2 340.899 3.355 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cc(C)nn1C(CC)CC ZINC001700465873 1414073087 /nfs/dbraw/zinc/07/30/87/1414073087.db2.gz IUCCOYLENSWNRC-AWEZNQCLSA-N 1 2 340.899 3.355 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)OCc1cccc(C)c1 ZINC001732588316 1428805922 /nfs/dbraw/zinc/80/59/22/1428805922.db2.gz OWFMYSITAHGNKO-MRXNPFEDSA-N 1 2 338.879 3.043 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](C)OCc1cccc(C)c1 ZINC001732588316 1428805928 /nfs/dbraw/zinc/80/59/28/1428805928.db2.gz OWFMYSITAHGNKO-MRXNPFEDSA-N 1 2 338.879 3.043 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCc2ccsc2)[C@@H]1C ZINC001700880112 1414536425 /nfs/dbraw/zinc/53/64/25/1414536425.db2.gz VZRAPJRYTSZMMC-DZGCQCFKSA-N 1 2 326.893 3.402 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCc2ccsc2)[C@@H]1C ZINC001700880112 1414536426 /nfs/dbraw/zinc/53/64/26/1414536426.db2.gz VZRAPJRYTSZMMC-DZGCQCFKSA-N 1 2 326.893 3.402 20 30 EGEDLO N#Cc1ccc(C[N@H+](CCNC(=O)C2CCCCC2)C2CC2)c(F)c1 ZINC001713553110 1418340474 /nfs/dbraw/zinc/34/04/74/1418340474.db2.gz QSDXFBGYEOBVHS-UHFFFAOYSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(C[N@@H+](CCNC(=O)C2CCCCC2)C2CC2)c(F)c1 ZINC001713553110 1418340478 /nfs/dbraw/zinc/34/04/78/1418340478.db2.gz QSDXFBGYEOBVHS-UHFFFAOYSA-N 1 2 343.446 3.358 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)COc2ccccc2Cl)C1 ZINC001714026138 1418811750 /nfs/dbraw/zinc/81/17/50/1418811750.db2.gz YBGHIMGMKXGXSV-ZDUSSCGKSA-N 1 2 343.254 3.004 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)COc2ccccc2Cl)C1 ZINC001714026138 1418811752 /nfs/dbraw/zinc/81/17/52/1418811752.db2.gz YBGHIMGMKXGXSV-ZDUSSCGKSA-N 1 2 343.254 3.004 20 30 EGEDLO CC(C)CC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001715001481 1419732359 /nfs/dbraw/zinc/73/23/59/1419732359.db2.gz NACQXVNQLRSUKN-KRWDZBQOSA-N 1 2 345.462 3.460 20 30 EGEDLO CC(C)CC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001715001481 1419732360 /nfs/dbraw/zinc/73/23/60/1419732360.db2.gz NACQXVNQLRSUKN-KRWDZBQOSA-N 1 2 345.462 3.460 20 30 EGEDLO Cc1csc(C(=O)N(C)CC[N@H+](C)Cc2cc(C#N)ccc2F)c1 ZINC001715516679 1420202635 /nfs/dbraw/zinc/20/26/35/1420202635.db2.gz TYJPCUOQGSQRKL-UHFFFAOYSA-N 1 2 345.443 3.271 20 30 EGEDLO Cc1csc(C(=O)N(C)CC[N@@H+](C)Cc2cc(C#N)ccc2F)c1 ZINC001715516679 1420202636 /nfs/dbraw/zinc/20/26/36/1420202636.db2.gz TYJPCUOQGSQRKL-UHFFFAOYSA-N 1 2 345.443 3.271 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)CC2CCCC2)C1 ZINC001724129705 1424681045 /nfs/dbraw/zinc/68/10/45/1424681045.db2.gz QTQUJRJNWDGNMT-HNNXBMFYSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)CC2CCCC2)C1 ZINC001724129705 1424681046 /nfs/dbraw/zinc/68/10/46/1424681046.db2.gz QTQUJRJNWDGNMT-HNNXBMFYSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)C)C1 ZINC001724343778 1424843054 /nfs/dbraw/zinc/84/30/54/1424843054.db2.gz SQOGBMXMOWKARL-HNNXBMFYSA-N 1 2 331.298 3.159 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)C)C1 ZINC001724343778 1424843059 /nfs/dbraw/zinc/84/30/59/1424843059.db2.gz SQOGBMXMOWKARL-HNNXBMFYSA-N 1 2 331.298 3.159 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1ccc2c(c1)CCCC2 ZINC001725193658 1425743015 /nfs/dbraw/zinc/74/30/15/1425743015.db2.gz QXUCQJBCAUYFQC-OAHLLOKOSA-N 1 2 334.891 3.297 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1ccc2c(c1)CCCC2 ZINC001725193658 1425743017 /nfs/dbraw/zinc/74/30/17/1425743017.db2.gz QXUCQJBCAUYFQC-OAHLLOKOSA-N 1 2 334.891 3.297 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)CCC2CC2)[C@H]1C ZINC001725648491 1426330415 /nfs/dbraw/zinc/33/04/15/1426330415.db2.gz YXCBMRDLPMVYGM-TZMCWYRMSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)CCC2CC2)[C@H]1C ZINC001725648491 1426330421 /nfs/dbraw/zinc/33/04/21/1426330421.db2.gz YXCBMRDLPMVYGM-TZMCWYRMSA-N 1 2 329.282 3.054 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC001731373926 1427305257 /nfs/dbraw/zinc/30/52/57/1427305257.db2.gz FWDUCJGNHHXKET-INIZCTEOSA-N 1 2 336.838 3.363 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC001731373926 1427305261 /nfs/dbraw/zinc/30/52/61/1427305261.db2.gz FWDUCJGNHHXKET-INIZCTEOSA-N 1 2 336.838 3.363 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)[C@@H](C)c2nnc(CC)o2)C1 ZINC001752999141 1440263587 /nfs/dbraw/zinc/26/35/87/1440263587.db2.gz TYZJTDWVZOMHCB-LSDHHAIUSA-N 1 2 348.491 3.218 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)[C@@H](C)c2nnc(CC)o2)C1 ZINC001752999141 1440263588 /nfs/dbraw/zinc/26/35/88/1440263588.db2.gz TYZJTDWVZOMHCB-LSDHHAIUSA-N 1 2 348.491 3.218 20 30 EGEDLO C[N@H+](CCNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)Cc1ccccc1C#N ZINC001753065782 1440285586 /nfs/dbraw/zinc/28/55/86/1440285586.db2.gz GNUBGIUDCTZDBC-IRLDBZIGSA-N 1 2 347.462 3.300 20 30 EGEDLO C[N@@H+](CCNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)Cc1ccccc1C#N ZINC001753065782 1440285587 /nfs/dbraw/zinc/28/55/87/1440285587.db2.gz GNUBGIUDCTZDBC-IRLDBZIGSA-N 1 2 347.462 3.300 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1coc2c1cccc2OC ZINC001753081942 1440294133 /nfs/dbraw/zinc/29/41/33/1440294133.db2.gz CKGAROVAWXJLNG-UHFFFAOYSA-N 1 2 336.819 3.246 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1coc2c1cccc2OC ZINC001753081942 1440294134 /nfs/dbraw/zinc/29/41/34/1440294134.db2.gz CKGAROVAWXJLNG-UHFFFAOYSA-N 1 2 336.819 3.246 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C(C)(C)c1cccc(OC)c1 ZINC001753092052 1440299673 /nfs/dbraw/zinc/29/96/73/1440299673.db2.gz CTSIYJDBXPGJGG-UHFFFAOYSA-N 1 2 338.879 3.163 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C(C)(C)c1cccc(OC)c1 ZINC001753092052 1440299674 /nfs/dbraw/zinc/29/96/74/1440299674.db2.gz CTSIYJDBXPGJGG-UHFFFAOYSA-N 1 2 338.879 3.163 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(-c2ccco2)on1 ZINC001753106618 1440306493 /nfs/dbraw/zinc/30/64/93/1440306493.db2.gz QKMXFBLOIHPCNS-INIZCTEOSA-N 1 2 343.427 3.372 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(-c2ccco2)on1 ZINC001753106618 1440306494 /nfs/dbraw/zinc/30/64/94/1440306494.db2.gz QKMXFBLOIHPCNS-INIZCTEOSA-N 1 2 343.427 3.372 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)n1 ZINC001753108592 1440307296 /nfs/dbraw/zinc/30/72/96/1440307296.db2.gz NPBCVRZNEQHKCM-HNNXBMFYSA-N 1 2 335.879 3.418 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[N@H+]1Cc1cccc(Cl)n1 ZINC001753108592 1440307297 /nfs/dbraw/zinc/30/72/97/1440307297.db2.gz NPBCVRZNEQHKCM-HNNXBMFYSA-N 1 2 335.879 3.418 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)C(=C)C ZINC001753109524 1440307727 /nfs/dbraw/zinc/30/77/27/1440307727.db2.gz SQPQJRXJNGORSP-ZDUSSCGKSA-N 1 2 329.282 3.078 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)C(=C)C ZINC001753109524 1440307728 /nfs/dbraw/zinc/30/77/28/1440307728.db2.gz SQPQJRXJNGORSP-ZDUSSCGKSA-N 1 2 329.282 3.078 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2F)C1 ZINC001753111433 1440308812 /nfs/dbraw/zinc/30/88/12/1440308812.db2.gz IPCGWPCDPDRKMX-INIZCTEOSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H]2CCC[N@H+]2Cc2cc(F)ccc2F)C1 ZINC001753111433 1440308813 /nfs/dbraw/zinc/30/88/13/1440308813.db2.gz IPCGWPCDPDRKMX-INIZCTEOSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(CCCCC)n[nH]1 ZINC001753114698 1440310557 /nfs/dbraw/zinc/31/05/57/1440310557.db2.gz YZFRENHTJWSGLD-HNNXBMFYSA-N 1 2 338.883 3.089 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(CCCCC)n[nH]1 ZINC001753114698 1440310558 /nfs/dbraw/zinc/31/05/58/1440310558.db2.gz YZFRENHTJWSGLD-HNNXBMFYSA-N 1 2 338.883 3.089 20 30 EGEDLO CC1(CCC(=O)NCC[N@H+](Cc2ccc(C#N)cc2F)C2CC2)CC1 ZINC001753161886 1440334443 /nfs/dbraw/zinc/33/44/43/1440334443.db2.gz PIUCYGPUHRFLLT-UHFFFAOYSA-N 1 2 343.446 3.358 20 30 EGEDLO CC1(CCC(=O)NCC[N@@H+](Cc2ccc(C#N)cc2F)C2CC2)CC1 ZINC001753161886 1440334444 /nfs/dbraw/zinc/33/44/44/1440334444.db2.gz PIUCYGPUHRFLLT-UHFFFAOYSA-N 1 2 343.446 3.358 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)CCc2ccccn2)C1 ZINC001753318598 1440361388 /nfs/dbraw/zinc/36/13/88/1440361388.db2.gz MFEDRECNBPOZHY-KRWDZBQOSA-N 1 2 335.879 3.080 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)CCc2ccccn2)C1 ZINC001753318598 1440361389 /nfs/dbraw/zinc/36/13/89/1440361389.db2.gz MFEDRECNBPOZHY-KRWDZBQOSA-N 1 2 335.879 3.080 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)NC1C[NH+](Cc2ccccc2C2CC2)C1 ZINC001753381969 1440387848 /nfs/dbraw/zinc/38/78/48/1440387848.db2.gz CVIXKNFDFCRJGS-NRFANRHFSA-N 1 2 342.483 3.093 20 30 EGEDLO C=CC(C)(C)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2noc3c2CCCC3)C1 ZINC001753436793 1440400137 /nfs/dbraw/zinc/40/01/37/1440400137.db2.gz NNIXJAWOUULTJN-OAHLLOKOSA-N 1 2 345.487 3.188 20 30 EGEDLO C=CC(C)(C)CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001753436793 1440400138 /nfs/dbraw/zinc/40/01/38/1440400138.db2.gz NNIXJAWOUULTJN-OAHLLOKOSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@H](CC)[NH2+]Cc1nnc(C(F)F)s1 ZINC001753481819 1440416761 /nfs/dbraw/zinc/41/67/61/1440416761.db2.gz YYHQNEHMBSQHMM-JTQLQIEISA-N 1 2 346.447 3.062 20 30 EGEDLO CN(CC[N@H+](C)Cc1cc(F)ccc1C#N)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001753857034 1440509309 /nfs/dbraw/zinc/50/93/09/1440509309.db2.gz CXPRAMUSUNIJBJ-BFYDXBDKSA-N 1 2 343.446 3.024 20 30 EGEDLO CN(CC[N@@H+](C)Cc1cc(F)ccc1C#N)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001753857034 1440509310 /nfs/dbraw/zinc/50/93/10/1440509310.db2.gz CXPRAMUSUNIJBJ-BFYDXBDKSA-N 1 2 343.446 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccc(OC)cc1Cl ZINC001753865444 1440514068 /nfs/dbraw/zinc/51/40/68/1440514068.db2.gz BEJJHTNJWGAXLI-UHFFFAOYSA-N 1 2 331.243 3.105 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccc(OC)cc1Cl ZINC001753865444 1440514069 /nfs/dbraw/zinc/51/40/69/1440514069.db2.gz BEJJHTNJWGAXLI-UHFFFAOYSA-N 1 2 331.243 3.105 20 30 EGEDLO C=CCC1(C(=O)N[C@H](C)C[NH2+][C@@H](C)c2nc(C3CC3)no2)CCCC1 ZINC001754256967 1440559554 /nfs/dbraw/zinc/55/95/54/1440559554.db2.gz XCISJXRHIPQVBO-KGLIPLIRSA-N 1 2 346.475 3.239 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccnn1C(CC)CC ZINC001754313261 1440574023 /nfs/dbraw/zinc/57/40/23/1440574023.db2.gz RHYSLCAFQYXBTM-CYBMUJFWSA-N 1 2 326.872 3.047 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccnn1C(CC)CC ZINC001754313261 1440574024 /nfs/dbraw/zinc/57/40/24/1440574024.db2.gz RHYSLCAFQYXBTM-CYBMUJFWSA-N 1 2 326.872 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1scnc1C(C)(C)C ZINC001754326345 1440580595 /nfs/dbraw/zinc/58/05/95/1440580595.db2.gz IJSNFDFBUFWRNO-LLVKDONJSA-N 1 2 329.897 3.243 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1scnc1C(C)(C)C ZINC001754326345 1440580596 /nfs/dbraw/zinc/58/05/96/1440580596.db2.gz IJSNFDFBUFWRNO-LLVKDONJSA-N 1 2 329.897 3.243 20 30 EGEDLO CCCCCCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001754499748 1440613617 /nfs/dbraw/zinc/61/36/17/1440613617.db2.gz DNDUBPGHUMDJKA-KRWDZBQOSA-N 1 2 331.435 3.358 20 30 EGEDLO CCCCCCC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001754499748 1440613618 /nfs/dbraw/zinc/61/36/18/1440613618.db2.gz DNDUBPGHUMDJKA-KRWDZBQOSA-N 1 2 331.435 3.358 20 30 EGEDLO C=CCC1(C(=O)NCC2([NH2+][C@@H](C)c3nc(CC)no3)CC2)CCCC1 ZINC001754537388 1440625040 /nfs/dbraw/zinc/62/50/40/1440625040.db2.gz WWABSNQTPUKWNV-AWEZNQCLSA-N 1 2 346.475 3.068 20 30 EGEDLO CC(C)=C[C@H]1[C@H](C(=O)N2CCC([N@H+](CC#N)CC3CC3)CC2)C1(C)C ZINC001754548147 1440628829 /nfs/dbraw/zinc/62/88/29/1440628829.db2.gz GHWNUZYOTVZWGI-RBUKOAKNSA-N 1 2 343.515 3.451 20 30 EGEDLO CC(C)=C[C@H]1[C@H](C(=O)N2CCC([N@@H+](CC#N)CC3CC3)CC2)C1(C)C ZINC001754548147 1440628830 /nfs/dbraw/zinc/62/88/30/1440628830.db2.gz GHWNUZYOTVZWGI-RBUKOAKNSA-N 1 2 343.515 3.451 20 30 EGEDLO C#CCCCCCC(=O)NC1(C)CC[NH+](Cc2ncc(CC)o2)CC1 ZINC001754628025 1440646895 /nfs/dbraw/zinc/64/68/95/1440646895.db2.gz GMDIKMZJXQLDNE-UHFFFAOYSA-N 1 2 345.487 3.291 20 30 EGEDLO C#CCN(C(=O)[C@H](CCC)C(C)C)C1CC[NH+](Cc2ccon2)CC1 ZINC001754641357 1440649124 /nfs/dbraw/zinc/64/91/24/1440649124.db2.gz ZCPBBSSXTSZLCX-LJQANCHMSA-N 1 2 345.487 3.173 20 30 EGEDLO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@](C)(NC(=O)C#CC2CC2)C1 ZINC001754669928 1440657627 /nfs/dbraw/zinc/65/76/27/1440657627.db2.gz IPRLFDWHDHMNDE-VLIAUNLRSA-N 1 2 343.471 3.027 20 30 EGEDLO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@](C)(NC(=O)C#CC2CC2)C1 ZINC001754669928 1440657628 /nfs/dbraw/zinc/65/76/28/1440657628.db2.gz IPRLFDWHDHMNDE-VLIAUNLRSA-N 1 2 343.471 3.027 20 30 EGEDLO C[C@H](CC(=O)N[C@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1)C1CC1 ZINC001754685781 1440664893 /nfs/dbraw/zinc/66/48/93/1440664893.db2.gz RRSQELLUSAOEQM-JLTOFOAXSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H](CC(=O)N[C@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1)C1CC1 ZINC001754685781 1440664894 /nfs/dbraw/zinc/66/48/94/1440664894.db2.gz RRSQELLUSAOEQM-JLTOFOAXSA-N 1 2 343.446 3.214 20 30 EGEDLO C#CC[NH+]1CCC(C)(CNC(=O)c2ccc(-c3ccccc3)o2)CC1 ZINC001754720268 1440672957 /nfs/dbraw/zinc/67/29/57/1440672957.db2.gz JZWDHAOOAZYGHO-UHFFFAOYSA-N 1 2 336.435 3.412 20 30 EGEDLO C=C(C)C[NH+]1CCC(C)(CNC(=O)c2scnc2C2CC2)CC1 ZINC001754720443 1440673033 /nfs/dbraw/zinc/67/30/33/1440673033.db2.gz MIECTDWXHBXHKG-UHFFFAOYSA-N 1 2 333.501 3.429 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@]1(C)CCC[N@@H+]([C@@H](C)c2nc(C)no2)C1 ZINC001754730294 1440678671 /nfs/dbraw/zinc/67/86/71/1440678671.db2.gz FPNTXPCRSWQZOQ-IFXJQAMLSA-N 1 2 348.491 3.260 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@]1(C)CCC[N@H+]([C@@H](C)c2nc(C)no2)C1 ZINC001754730294 1440678672 /nfs/dbraw/zinc/67/86/72/1440678672.db2.gz FPNTXPCRSWQZOQ-IFXJQAMLSA-N 1 2 348.491 3.260 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1COCC[N@@H+]1Cc1cc(C)cc(C)c1 ZINC001754969671 1440718683 /nfs/dbraw/zinc/71/86/83/1440718683.db2.gz FAYWJNDZBNNOLS-AZUAARDMSA-N 1 2 344.499 3.223 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1COCC[N@H+]1Cc1cc(C)cc(C)c1 ZINC001754969671 1440718684 /nfs/dbraw/zinc/71/86/84/1440718684.db2.gz FAYWJNDZBNNOLS-AZUAARDMSA-N 1 2 344.499 3.223 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(CC)[nH]2)CC1 ZINC001755024701 1440728276 /nfs/dbraw/zinc/72/82/76/1440728276.db2.gz GNRWIBJWNJOYSO-LSDHHAIUSA-N 1 2 347.507 3.001 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2nnc(CC)[nH]2)CC1 ZINC001755024701 1440728277 /nfs/dbraw/zinc/72/82/77/1440728277.db2.gz GNRWIBJWNJOYSO-LSDHHAIUSA-N 1 2 347.507 3.001 20 30 EGEDLO C#CCCCC(=O)N(C)CCC[N@@H+](C)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC001755035794 1440734213 /nfs/dbraw/zinc/73/42/13/1440734213.db2.gz DOCYENVJTPSLDJ-HNNXBMFYSA-N 1 2 348.491 3.012 20 30 EGEDLO C#CCCCC(=O)N(C)CCC[N@H+](C)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC001755035794 1440734214 /nfs/dbraw/zinc/73/42/14/1440734214.db2.gz DOCYENVJTPSLDJ-HNNXBMFYSA-N 1 2 348.491 3.012 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H](C)c1ccccc1C)O2 ZINC001755057423 1440744020 /nfs/dbraw/zinc/74/40/20/1440744020.db2.gz WPASGJCJFXEYIO-MSOLQXFVSA-N 1 2 342.483 3.024 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[N@@H+](Cc2cscn2)CC1(C)C ZINC001755138685 1440759342 /nfs/dbraw/zinc/75/93/42/1440759342.db2.gz CESGLHFWUUWDPN-INIZCTEOSA-N 1 2 333.501 3.053 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[N@H+](Cc2cscn2)CC1(C)C ZINC001755138685 1440759343 /nfs/dbraw/zinc/75/93/43/1440759343.db2.gz CESGLHFWUUWDPN-INIZCTEOSA-N 1 2 333.501 3.053 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@H](C)[N@H+](C)Cc1nc(C2CCCCC2)cs1 ZINC001755293026 1440804877 /nfs/dbraw/zinc/80/48/77/1440804877.db2.gz OKUQAAXPUGOSKK-KGLIPLIRSA-N 1 2 348.516 3.287 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@H](C)[N@@H+](C)Cc1nc(C2CCCCC2)cs1 ZINC001755293026 1440804878 /nfs/dbraw/zinc/80/48/78/1440804878.db2.gz OKUQAAXPUGOSKK-KGLIPLIRSA-N 1 2 348.516 3.287 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2nc(C)oc2C)CC1(C)C ZINC001755408373 1440845143 /nfs/dbraw/zinc/84/51/43/1440845143.db2.gz RJTIEPBGHTVHRO-MRXNPFEDSA-N 1 2 333.476 3.220 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2nc(C)oc2C)CC1(C)C ZINC001755408373 1440845144 /nfs/dbraw/zinc/84/51/44/1440845144.db2.gz RJTIEPBGHTVHRO-MRXNPFEDSA-N 1 2 333.476 3.220 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)c2nc(CCCC)no2)C1 ZINC001755603659 1440884770 /nfs/dbraw/zinc/88/47/70/1440884770.db2.gz GLDKMYYQLTVGRN-CABCVRRESA-N 1 2 348.491 3.266 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCc1ccc(C[NH2+]Cc2ccon2)cc1F ZINC001755902259 1440944227 /nfs/dbraw/zinc/94/42/27/1440944227.db2.gz QGTJOQRXUHIMPZ-LJQANCHMSA-N 1 2 345.418 3.322 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCc2c(sc3ncnc(N)c23)C1 ZINC000369043621 168395765 /nfs/dbraw/zinc/39/57/65/168395765.db2.gz BIOSHDLQWSZPGM-NSHDSACASA-N 1 2 335.436 3.264 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCc2c(sc3ncnc(N)c23)C1 ZINC000369043621 168395767 /nfs/dbraw/zinc/39/57/67/168395767.db2.gz BIOSHDLQWSZPGM-NSHDSACASA-N 1 2 335.436 3.264 20 30 EGEDLO Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554835 219136936 /nfs/dbraw/zinc/13/69/36/219136936.db2.gz SYYLENKFPNTHPU-KRWDZBQOSA-N 1 2 348.450 3.016 20 30 EGEDLO COc1ccccc1C[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000003437320 210038366 /nfs/dbraw/zinc/03/83/66/210038366.db2.gz UOUCJYNNBMDUKI-UHFFFAOYSA-N 1 2 343.814 3.291 20 30 EGEDLO COc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000003437320 210038371 /nfs/dbraw/zinc/03/83/71/210038371.db2.gz UOUCJYNNBMDUKI-UHFFFAOYSA-N 1 2 343.814 3.291 20 30 EGEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000066875284 215089913 /nfs/dbraw/zinc/08/99/13/215089913.db2.gz VQHPKBJGIHPIPW-UHFFFAOYSA-N 1 2 343.446 3.358 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C(F)(F)F)C2)c(C#N)c1C ZINC000193195574 240056234 /nfs/dbraw/zinc/05/62/34/240056234.db2.gz QHCRHSPWEIJCPR-JQWIXIFHSA-N 1 2 343.349 3.369 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C(F)(F)F)C2)c(C#N)c1C ZINC000193195574 240056239 /nfs/dbraw/zinc/05/62/39/240056239.db2.gz QHCRHSPWEIJCPR-JQWIXIFHSA-N 1 2 343.349 3.369 20 30 EGEDLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)cs1 ZINC000111376292 220148261 /nfs/dbraw/zinc/14/82/61/220148261.db2.gz JFTPXJJVQKDIAG-RYUDHWBXSA-N 1 2 328.441 3.255 20 30 EGEDLO N#Cc1cc(Cl)ccc1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000264097283 246062224 /nfs/dbraw/zinc/06/22/24/246062224.db2.gz KPJPEHCTYWAZCT-UHFFFAOYSA-N 1 2 332.860 3.380 20 30 EGEDLO N#Cc1cc(Cl)ccc1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000264097283 246062228 /nfs/dbraw/zinc/06/22/28/246062228.db2.gz KPJPEHCTYWAZCT-UHFFFAOYSA-N 1 2 332.860 3.380 20 30 EGEDLO C[C@H](C#N)Sc1nnc(C[NH+]2CCCCC2)n1Cc1ccccc1 ZINC000008754340 258053888 /nfs/dbraw/zinc/05/38/88/258053888.db2.gz MXEIKVBILDNPTM-OAHLLOKOSA-N 1 2 341.484 3.316 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(C#N)cc1)c1ccccc1F ZINC000012535576 258054755 /nfs/dbraw/zinc/05/47/55/258054755.db2.gz XNDQQFDCUKVHIO-QGZVFWFLSA-N 1 2 349.369 3.342 20 30 EGEDLO C[N@H+](CC(=O)N1CCSc2ccccc21)Cc1cccc(C#N)c1 ZINC000026326484 140788249 /nfs/dbraw/zinc/78/82/49/140788249.db2.gz ZLLBPMXXXGVSDF-UHFFFAOYSA-N 1 2 337.448 3.129 20 30 EGEDLO C[N@@H+](CC(=O)N1CCSc2ccccc21)Cc1cccc(C#N)c1 ZINC000026326484 140788252 /nfs/dbraw/zinc/78/82/52/140788252.db2.gz ZLLBPMXXXGVSDF-UHFFFAOYSA-N 1 2 337.448 3.129 20 30 EGEDLO N#Cc1ccc(C2=CC[N@H+](Cc3nc(CC(F)(F)F)no3)CC2)cc1 ZINC000347984475 141228584 /nfs/dbraw/zinc/22/85/84/141228584.db2.gz CXJRTHDXFIBZLQ-UHFFFAOYSA-N 1 2 348.328 3.335 20 30 EGEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3nc(CC(F)(F)F)no3)CC2)cc1 ZINC000347984475 141228587 /nfs/dbraw/zinc/22/85/87/141228587.db2.gz CXJRTHDXFIBZLQ-UHFFFAOYSA-N 1 2 348.328 3.335 20 30 EGEDLO Cc1ccnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1Cl ZINC000341347080 155246454 /nfs/dbraw/zinc/24/64/54/155246454.db2.gz LDCGAGCFYLTGLO-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccccc2OC2CCCC2)C(N)=O)cc1 ZINC000115597556 152022603 /nfs/dbraw/zinc/02/26/03/152022603.db2.gz QAMTZLOWTODQPH-HXUWFJFHSA-N 1 2 349.434 3.196 20 30 EGEDLO N#Cc1cc(NC(=O)NCCNc2ccc3ccccc3[nH+]2)ccc1F ZINC000118818449 152154261 /nfs/dbraw/zinc/15/42/61/152154261.db2.gz MZGHCDXPVLPFCE-UHFFFAOYSA-N 1 2 349.369 3.479 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000372420309 157326265 /nfs/dbraw/zinc/32/62/65/157326265.db2.gz JURUDGXCBHWDGA-UHFFFAOYSA-N 1 2 342.402 3.158 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000372420309 157326267 /nfs/dbraw/zinc/32/62/67/157326267.db2.gz JURUDGXCBHWDGA-UHFFFAOYSA-N 1 2 342.402 3.158 20 30 EGEDLO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1cccc(C#N)c1F ZINC000338327010 163211018 /nfs/dbraw/zinc/21/10/18/163211018.db2.gz WQQUCXSDRBFLAX-UHFFFAOYSA-N 1 2 345.443 3.206 20 30 EGEDLO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1cccc(C#N)c1F ZINC000338327010 163211021 /nfs/dbraw/zinc/21/10/21/163211021.db2.gz WQQUCXSDRBFLAX-UHFFFAOYSA-N 1 2 345.443 3.206 20 30 EGEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343733796 164022204 /nfs/dbraw/zinc/02/22/04/164022204.db2.gz DUZKHBVRXPHHPM-GOSISDBHSA-N 1 2 336.439 3.002 20 30 EGEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nnc(-c2ccccc2)o1 ZINC000344127740 164109923 /nfs/dbraw/zinc/10/99/23/164109923.db2.gz ZJOXQOHJECCSOW-UHFFFAOYSA-N 1 2 348.406 3.257 20 30 EGEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nnc(-c2ccccc2)o1 ZINC000344127740 164109925 /nfs/dbraw/zinc/10/99/25/164109925.db2.gz ZJOXQOHJECCSOW-UHFFFAOYSA-N 1 2 348.406 3.257 20 30 EGEDLO N#Cc1cc(NCc2cccc(-n3cc[nH+]c3)c2)nc2ccccc12 ZINC000346416204 164383317 /nfs/dbraw/zinc/38/33/17/164383317.db2.gz IYSRJSPASCUYIP-UHFFFAOYSA-N 1 2 325.375 3.326 20 30 EGEDLO CCc1ccc([C@H]2COCC[N@@H+]2CCOc2ccc(C#N)cc2)o1 ZINC000346526414 164391848 /nfs/dbraw/zinc/39/18/48/164391848.db2.gz FDHZROLWIWLWFC-GOSISDBHSA-N 1 2 326.396 3.166 20 30 EGEDLO CCc1ccc([C@H]2COCC[N@H+]2CCOc2ccc(C#N)cc2)o1 ZINC000346526414 164391850 /nfs/dbraw/zinc/39/18/50/164391850.db2.gz FDHZROLWIWLWFC-GOSISDBHSA-N 1 2 326.396 3.166 20 30 EGEDLO N#Cc1ccc(NC(=O)NCc2cn3ccccc3[nH+]2)cc1Cl ZINC000359312175 167122286 /nfs/dbraw/zinc/12/22/86/167122286.db2.gz UXKLOATWRLXXJZ-UHFFFAOYSA-N 1 2 325.759 3.181 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000359859248 167251634 /nfs/dbraw/zinc/25/16/34/167251634.db2.gz OVIXSDOHMQHGRZ-AWEZNQCLSA-N 1 2 332.407 3.136 20 30 EGEDLO COc1cccc2c1CC[N@H+](Cc1nnc(-c3cccc(C#N)c3)o1)C2 ZINC000359862685 167252699 /nfs/dbraw/zinc/25/26/99/167252699.db2.gz QNKHRNTWNIQHHP-UHFFFAOYSA-N 1 2 346.390 3.175 20 30 EGEDLO COc1cccc2c1CC[N@@H+](Cc1nnc(-c3cccc(C#N)c3)o1)C2 ZINC000359862685 167252703 /nfs/dbraw/zinc/25/27/03/167252703.db2.gz QNKHRNTWNIQHHP-UHFFFAOYSA-N 1 2 346.390 3.175 20 30 EGEDLO N#Cc1ccc(Nc2cccc(C(=O)N3CCn4c[nH+]cc4C3)c2)cc1 ZINC000365744011 168040636 /nfs/dbraw/zinc/04/06/36/168040636.db2.gz UMBRGXOBSUUEAL-UHFFFAOYSA-N 1 2 343.390 3.154 20 30 EGEDLO CCCNc1ccc(C#N)cc1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000175783117 265137684 /nfs/dbraw/zinc/13/76/84/265137684.db2.gz AEZNTHQWLZZKHC-UHFFFAOYSA-N 1 2 333.395 3.209 20 30 EGEDLO N#Cc1ccccc1OCC[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000451798053 270053521 /nfs/dbraw/zinc/05/35/21/270053521.db2.gz LKAODCWCENRGSC-SFHVURJKSA-N 1 2 326.371 3.150 20 30 EGEDLO N#Cc1ccccc1OCC[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000451798053 270053522 /nfs/dbraw/zinc/05/35/22/270053522.db2.gz LKAODCWCENRGSC-SFHVURJKSA-N 1 2 326.371 3.150 20 30 EGEDLO Cc1ccc2sc(C[NH+]3CCN(c4cnccc4C#N)CC3)nc2c1 ZINC000528508672 270060008 /nfs/dbraw/zinc/06/00/08/270060008.db2.gz SDZYAJJUSQJWCW-UHFFFAOYSA-N 1 2 349.463 3.194 20 30 EGEDLO C[C@H]1CC(F)(F)CC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000528772448 270060221 /nfs/dbraw/zinc/06/02/21/270060221.db2.gz XPEFKMOYGIXTSH-JTQLQIEISA-N 1 2 327.762 3.270 20 30 EGEDLO C[C@H]1CC(F)(F)CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000528772448 270060223 /nfs/dbraw/zinc/06/02/23/270060223.db2.gz XPEFKMOYGIXTSH-JTQLQIEISA-N 1 2 327.762 3.270 20 30 EGEDLO Cc1cccn2cc(CC(=O)Nc3ccc(OC(C)C)c(C#N)c3)[nH+]c12 ZINC000533256630 270060874 /nfs/dbraw/zinc/06/08/74/270060874.db2.gz AWRGIPYGYRQJHX-UHFFFAOYSA-N 1 2 348.406 3.483 20 30 EGEDLO Cc1ccc([C@@H](CNc2ccc(F)cc2C#N)[NH+]2CCOCC2)cc1 ZINC000301386746 267439710 /nfs/dbraw/zinc/43/97/10/267439710.db2.gz XNBJCYNTMNULHC-HXUWFJFHSA-N 1 2 339.414 3.491 20 30 EGEDLO CC(C)[C@H](NC(=O)CCCCOc1cccc(C#N)c1)c1[nH]cc[nH+]1 ZINC000276687600 267603667 /nfs/dbraw/zinc/60/36/67/267603667.db2.gz WXMCRZKCPXUDOM-SFHVURJKSA-N 1 2 340.427 3.344 20 30 EGEDLO Cc1cccc2[nH+]c(CNC(=O)N(C)[C@@H](C)c3cccc(C#N)c3)cn21 ZINC000425458562 268059855 /nfs/dbraw/zinc/05/98/55/268059855.db2.gz NDRHERLNZVOBBH-HNNXBMFYSA-N 1 2 347.422 3.417 20 30 EGEDLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000425595927 268062137 /nfs/dbraw/zinc/06/21/37/268062137.db2.gz KQCJPDIESNNDNC-HNNXBMFYSA-N 1 2 338.386 3.174 20 30 EGEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCCC[C@H]3c3cc[nH]n3)C2=O)cc1 ZINC000285366595 268113545 /nfs/dbraw/zinc/11/35/45/268113545.db2.gz MGUGXYZTPGJYLJ-OALUTQOASA-N 1 2 349.438 3.004 20 30 EGEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCCC[C@H]3c3cc[nH]n3)C2=O)cc1 ZINC000285366595 268113547 /nfs/dbraw/zinc/11/35/47/268113547.db2.gz MGUGXYZTPGJYLJ-OALUTQOASA-N 1 2 349.438 3.004 20 30 EGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2ncccc2Cl)CC1 ZINC000528336660 268165157 /nfs/dbraw/zinc/16/51/57/268165157.db2.gz HNCKQNQKFUZLTD-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444734611 268181171 /nfs/dbraw/zinc/18/11/71/268181171.db2.gz NPOXFBUMTYFWIN-BXUZGUMPSA-N 1 2 332.753 3.347 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444734611 268181173 /nfs/dbraw/zinc/18/11/73/268181173.db2.gz NPOXFBUMTYFWIN-BXUZGUMPSA-N 1 2 332.753 3.347 20 30 EGEDLO N#Cc1ccc([N+](=O)[O-])c(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000302204960 268217981 /nfs/dbraw/zinc/21/79/81/268217981.db2.gz JQYNEUQYGDVSLS-UHFFFAOYSA-N 1 2 337.314 3.403 20 30 EGEDLO N#Cc1ccccc1N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000301499891 268276255 /nfs/dbraw/zinc/27/62/55/268276255.db2.gz FLNTXWQTWXHVNM-UHFFFAOYSA-N 1 2 332.329 3.299 20 30 EGEDLO COc1ccc(C#N)cc1C[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000178911421 274105812 /nfs/dbraw/zinc/10/58/12/274105812.db2.gz KTXBDTRRYWHDBB-LJQANCHMSA-N 1 2 326.371 3.279 20 30 EGEDLO COc1ccc(C#N)cc1C[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000178911421 274105815 /nfs/dbraw/zinc/10/58/15/274105815.db2.gz KTXBDTRRYWHDBB-LJQANCHMSA-N 1 2 326.371 3.279 20 30 EGEDLO N#Cc1cc(F)ccc1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000133064557 307666837 /nfs/dbraw/zinc/66/68/37/307666837.db2.gz JKSORZUQDDPTKG-UHFFFAOYSA-N 1 2 339.374 3.014 20 30 EGEDLO CN(Cc1cccc(C#N)c1)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255121319 308040926 /nfs/dbraw/zinc/04/09/26/308040926.db2.gz CSYXNABATPUGQB-YFHOEESVSA-N 1 2 342.402 3.416 20 30 EGEDLO N#Cc1cccc(/C=C\C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000255725908 308058937 /nfs/dbraw/zinc/05/89/37/308058937.db2.gz OOACUJATQLQDNK-TWGQIWQCSA-N 1 2 347.418 3.042 20 30 EGEDLO CN(Cc1ccc(C#N)cc1)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255775735 308060024 /nfs/dbraw/zinc/06/00/24/308060024.db2.gz QNINAYUSBLGIRO-FLIBITNWSA-N 1 2 342.402 3.416 20 30 EGEDLO CN(C)c1[nH]c2ccc(NC(=O)c3ccc(C#N)c(Cl)c3)cc2[nH+]1 ZINC000549775740 315104230 /nfs/dbraw/zinc/10/42/30/315104230.db2.gz NYDCENOPKITQMZ-UHFFFAOYSA-N 1 2 339.786 3.406 20 30 EGEDLO N#Cc1c(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)n[nH]c1C1CC1 ZINC000571075424 317147880 /nfs/dbraw/zinc/14/78/80/317147880.db2.gz AYSYUVIRMMZULS-AWEZNQCLSA-N 1 2 346.394 3.043 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCSC[C@H]1C1CCC1 ZINC000572137413 317297351 /nfs/dbraw/zinc/29/73/51/317297351.db2.gz DNMMRZBSRLOXND-INIZCTEOSA-N 1 2 349.887 3.368 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCSC[C@H]1C1CCC1 ZINC000572137413 317297356 /nfs/dbraw/zinc/29/73/56/317297356.db2.gz DNMMRZBSRLOXND-INIZCTEOSA-N 1 2 349.887 3.368 20 30 EGEDLO Cc1cc2ccccc2[nH+]c1N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000574580400 317614584 /nfs/dbraw/zinc/61/45/84/317614584.db2.gz FRZUNFMKNMGQPY-QGZVFWFLSA-N 1 2 330.391 3.468 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c2[nH+]ccn21 ZINC000578967596 325043641 /nfs/dbraw/zinc/04/36/41/325043641.db2.gz PVYHNDZVIWOMKE-KBXCAEBGSA-N 1 2 347.422 3.259 20 30 EGEDLO Cc1[nH+]cccc1Cc1noc(C2(c3cc(F)cc(C#N)c3)CC2)n1 ZINC000579818421 325162711 /nfs/dbraw/zinc/16/27/11/325162711.db2.gz SFQOUOWFUWPEJU-UHFFFAOYSA-N 1 2 334.354 3.455 20 30 EGEDLO CC(C)c1nc(N2CCN(c3ccc(C#N)cc3Cl)CC2)cc[nH+]1 ZINC000581765027 325389237 /nfs/dbraw/zinc/38/92/37/325389237.db2.gz ODUVZJYLJVJODN-UHFFFAOYSA-N 1 2 341.846 3.452 20 30 EGEDLO Cc1oncc1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1cccc(F)c1C#N ZINC000581859321 325393479 /nfs/dbraw/zinc/39/34/79/325393479.db2.gz COIXFQFMNYAXFQ-KBPBESRZSA-N 1 2 332.354 3.018 20 30 EGEDLO Cc1oncc1C[N@H+]1C[C@@H](F)C[C@H]1CNc1cccc(F)c1C#N ZINC000581859321 325393482 /nfs/dbraw/zinc/39/34/82/325393482.db2.gz COIXFQFMNYAXFQ-KBPBESRZSA-N 1 2 332.354 3.018 20 30 EGEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1cc(Br)ccc1Cl ZINC000494244026 458646425 /nfs/dbraw/zinc/64/64/25/458646425.db2.gz FXGYHFMQJMCZPB-SNVBAGLBSA-N 1 2 345.668 3.225 20 30 EGEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Br)ccc1Cl ZINC000494244026 458646431 /nfs/dbraw/zinc/64/64/31/458646431.db2.gz FXGYHFMQJMCZPB-SNVBAGLBSA-N 1 2 345.668 3.225 20 30 EGEDLO N#Cc1ccc(Cl)cc1NCc1ccc[nH+]c1N1CCOCC1 ZINC000264692207 455264165 /nfs/dbraw/zinc/26/41/65/455264165.db2.gz ZOTAAZDSBOOBBU-UHFFFAOYSA-N 1 2 328.803 3.055 20 30 EGEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000158161208 455275432 /nfs/dbraw/zinc/27/54/32/455275432.db2.gz MMSKSKUNVONMPK-OAHLLOKOSA-N 1 2 345.439 3.274 20 30 EGEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000158161208 455275434 /nfs/dbraw/zinc/27/54/34/455275434.db2.gz MMSKSKUNVONMPK-OAHLLOKOSA-N 1 2 345.439 3.274 20 30 EGEDLO C[C@@]1(C#N)CCC[N@@H+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000612167173 460558794 /nfs/dbraw/zinc/55/87/94/460558794.db2.gz VINFPXZTXFNJQM-QUCCMNQESA-N 1 2 325.456 3.366 20 30 EGEDLO C[C@@]1(C#N)CCC[N@H+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000612167173 460558800 /nfs/dbraw/zinc/55/88/00/460558800.db2.gz VINFPXZTXFNJQM-QUCCMNQESA-N 1 2 325.456 3.366 20 30 EGEDLO COc1c(C)c[nH+]c(CN(C)c2cc(C#N)ccc2[N+](=O)[O-])c1C ZINC000183766404 455326859 /nfs/dbraw/zinc/32/68/59/455326859.db2.gz AYGPMPMAFQYIMZ-UHFFFAOYSA-N 1 2 326.356 3.123 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000174059793 455355603 /nfs/dbraw/zinc/35/56/03/455355603.db2.gz OCSBXKZKKNAQLG-UHFFFAOYSA-N 1 2 333.391 3.073 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000174059793 455355609 /nfs/dbraw/zinc/35/56/09/455355609.db2.gz OCSBXKZKKNAQLG-UHFFFAOYSA-N 1 2 333.391 3.073 20 30 EGEDLO COC(=O)C1CCN(c2ccc(-c3ccc(C)c(C#N)c3)c[nH+]2)CC1 ZINC000600792528 460607787 /nfs/dbraw/zinc/60/77/87/460607787.db2.gz JINNRENSMOIWPG-UHFFFAOYSA-N 1 2 335.407 3.318 20 30 EGEDLO CC(C)[C@H](C#N)N1CC[NH+](CCOc2ccc(Cl)c(F)c2)CC1 ZINC000616768886 460616618 /nfs/dbraw/zinc/61/66/18/460616618.db2.gz SVXLIYDZRPTMFK-KRWDZBQOSA-N 1 2 339.842 3.024 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1 ZINC000027775638 453820515 /nfs/dbraw/zinc/82/05/15/453820515.db2.gz LVDQXJMXFDQSKU-UHFFFAOYSA-N 1 2 338.407 3.085 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1 ZINC000027775638 453820516 /nfs/dbraw/zinc/82/05/16/453820516.db2.gz LVDQXJMXFDQSKU-UHFFFAOYSA-N 1 2 338.407 3.085 20 30 EGEDLO C[C@H](c1ccc(F)cc1)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000029226712 453827392 /nfs/dbraw/zinc/82/73/92/453827392.db2.gz OTIUQEYEUDJICP-CYBMUJFWSA-N 1 2 340.402 3.446 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)nn1C)Cc1ccc(Cl)s1 ZINC000029597911 453830041 /nfs/dbraw/zinc/83/00/41/453830041.db2.gz OBNJHPRLKLJZJM-UHFFFAOYSA-N 1 2 338.864 3.070 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1cc(C)nn1C)Cc1ccc(Cl)s1 ZINC000029597911 453830042 /nfs/dbraw/zinc/83/00/42/453830042.db2.gz OBNJHPRLKLJZJM-UHFFFAOYSA-N 1 2 338.864 3.070 20 30 EGEDLO CN(Cc1[nH+]ccn1C)C(=O)c1ccccc1-c1ccccc1C#N ZINC000052954376 453850287 /nfs/dbraw/zinc/85/02/87/453850287.db2.gz IDYQYHQWXNYHKP-UHFFFAOYSA-N 1 2 330.391 3.231 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000190794514 455383162 /nfs/dbraw/zinc/38/31/62/455383162.db2.gz AJIFJZXLGAWBNC-QUCCMNQESA-N 1 2 330.472 3.087 20 30 EGEDLO CC1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000076153343 453972284 /nfs/dbraw/zinc/97/22/84/453972284.db2.gz VYTFJKKANWDKQG-RBUKOAKNSA-N 1 2 325.456 3.017 20 30 EGEDLO CC1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000076153343 453972288 /nfs/dbraw/zinc/97/22/88/453972288.db2.gz VYTFJKKANWDKQG-RBUKOAKNSA-N 1 2 325.456 3.017 20 30 EGEDLO Cn1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000612406146 460622036 /nfs/dbraw/zinc/62/20/36/460622036.db2.gz JDVLNAUKLWGCAF-SFHVURJKSA-N 1 2 339.399 3.121 20 30 EGEDLO Cn1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000612406146 460622043 /nfs/dbraw/zinc/62/20/43/460622043.db2.gz JDVLNAUKLWGCAF-SFHVURJKSA-N 1 2 339.399 3.121 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCc1cc(F)cc(F)c1)Cc1cccs1 ZINC000076650711 454022270 /nfs/dbraw/zinc/02/22/70/454022270.db2.gz URZWRMPCMGOXBE-UHFFFAOYSA-N 1 2 336.407 3.331 20 30 EGEDLO C=CC[N@H+](CC(=O)NCc1cc(F)cc(F)c1)Cc1cccs1 ZINC000076650711 454022273 /nfs/dbraw/zinc/02/22/73/454022273.db2.gz URZWRMPCMGOXBE-UHFFFAOYSA-N 1 2 336.407 3.331 20 30 EGEDLO CCC[N@H+](Cc1nc([C@H](C)OCC)no1)Cc1ccc(C#N)cc1 ZINC000076720089 454029664 /nfs/dbraw/zinc/02/96/64/454029664.db2.gz YUKMQQXKTLNAQT-AWEZNQCLSA-N 1 2 328.416 3.451 20 30 EGEDLO CCC[N@@H+](Cc1nc([C@H](C)OCC)no1)Cc1ccc(C#N)cc1 ZINC000076720089 454029665 /nfs/dbraw/zinc/02/96/65/454029665.db2.gz YUKMQQXKTLNAQT-AWEZNQCLSA-N 1 2 328.416 3.451 20 30 EGEDLO Cc1ncc(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)s1 ZINC000077185071 454071498 /nfs/dbraw/zinc/07/14/98/454071498.db2.gz FOZKXJZXPNGRKX-CQSZACIVSA-N 1 2 342.468 3.219 20 30 EGEDLO Cc1ncc(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)s1 ZINC000077185071 454071501 /nfs/dbraw/zinc/07/15/01/454071501.db2.gz FOZKXJZXPNGRKX-CQSZACIVSA-N 1 2 342.468 3.219 20 30 EGEDLO C[C@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000056895629 454089066 /nfs/dbraw/zinc/08/90/66/454089066.db2.gz FIZGMIRWXLQYKU-HNNXBMFYSA-N 1 2 345.406 3.304 20 30 EGEDLO C=CCOc1ccccc1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000045054688 454136434 /nfs/dbraw/zinc/13/64/34/454136434.db2.gz SFFGNUOXSUVBIT-UHFFFAOYSA-N 1 2 342.464 3.271 20 30 EGEDLO C=CCN(CC=C)C(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000069812177 454147186 /nfs/dbraw/zinc/14/71/86/454147186.db2.gz FTKZCYPAUKPBMR-UHFFFAOYSA-N 1 2 329.444 3.048 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000045427073 454159296 /nfs/dbraw/zinc/15/92/96/454159296.db2.gz NCNRTFTYJRPANA-UHFFFAOYSA-N 1 2 340.452 3.336 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)Nc1cc(C#N)ccc1C ZINC000058452861 454205606 /nfs/dbraw/zinc/20/56/06/454205606.db2.gz HCYARYMSNPCNKU-UHFFFAOYSA-N 1 2 333.395 3.347 20 30 EGEDLO C=CCn1c(C)nnc1SCc1[nH+]ccn1Cc1ccccc1 ZINC000071854897 454232728 /nfs/dbraw/zinc/23/27/28/454232728.db2.gz LBBVMGUIJZMZTE-UHFFFAOYSA-N 1 2 325.441 3.310 20 30 EGEDLO COc1cc[nH+]cc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000131445581 454255077 /nfs/dbraw/zinc/25/50/77/454255077.db2.gz PRUDVQWFNRGBEC-UHFFFAOYSA-N 1 2 342.424 3.013 20 30 EGEDLO CCN(CCC#N)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000078492383 454263214 /nfs/dbraw/zinc/26/32/14/454263214.db2.gz DQERKGVMAZSSKB-HOTGVXAUSA-N 1 2 344.459 3.063 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120307779 454285125 /nfs/dbraw/zinc/28/51/25/454285125.db2.gz OSNQQTMEVJIDEA-LBPRGKRZSA-N 1 2 330.819 3.009 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120307779 454285130 /nfs/dbraw/zinc/28/51/30/454285130.db2.gz OSNQQTMEVJIDEA-LBPRGKRZSA-N 1 2 330.819 3.009 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1nc2ccccc2s1 ZINC000078644947 454290985 /nfs/dbraw/zinc/29/09/85/454290985.db2.gz ABMZKCFFOIYCOV-CQSZACIVSA-N 1 2 329.469 3.317 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000078644947 454290990 /nfs/dbraw/zinc/29/09/90/454290990.db2.gz ABMZKCFFOIYCOV-CQSZACIVSA-N 1 2 329.469 3.317 20 30 EGEDLO CCCCC1CCC(C(=O)N(CCC#N)CC[NH+]2CCOCC2)CC1 ZINC000060634201 454307583 /nfs/dbraw/zinc/30/75/83/454307583.db2.gz OSEFNWCVBVFXRW-UHFFFAOYSA-N 1 2 349.519 3.057 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000120514011 454313008 /nfs/dbraw/zinc/31/30/08/454313008.db2.gz SOSHTFBSKODJAB-HLLBOEOZSA-N 1 2 334.485 3.099 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000120514011 454313012 /nfs/dbraw/zinc/31/30/12/454313012.db2.gz SOSHTFBSKODJAB-HLLBOEOZSA-N 1 2 334.485 3.099 20 30 EGEDLO CCn1cc(C(=O)/C=C\c2c[nH+]c3ccc(Br)cn23)cn1 ZINC000096295466 454316633 /nfs/dbraw/zinc/31/66/33/454316633.db2.gz UNWOFRKASVFFNS-PLNGDYQASA-N 1 2 345.200 3.209 20 30 EGEDLO N#CC1CC[NH+](Cc2nnc(-c3ccccc3Br)o2)CC1 ZINC000060893606 454319225 /nfs/dbraw/zinc/31/92/25/454319225.db2.gz HNGHPZXWGJAXNP-UHFFFAOYSA-N 1 2 347.216 3.235 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+](C)CCOc2ccccc2)c(C#N)c1C ZINC000096970700 454385711 /nfs/dbraw/zinc/38/57/11/454385711.db2.gz RAXJYETZXUCODA-UHFFFAOYSA-N 1 2 343.452 3.186 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+](C)CCOc2ccccc2)c(C#N)c1C ZINC000096970700 454385714 /nfs/dbraw/zinc/38/57/14/454385714.db2.gz RAXJYETZXUCODA-UHFFFAOYSA-N 1 2 343.452 3.186 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1nc(C)cs1)Cc1ccc(OC)cc1 ZINC000063549555 454422619 /nfs/dbraw/zinc/42/26/19/454422619.db2.gz NXNVEWFXNYUHTF-UHFFFAOYSA-N 1 2 331.441 3.087 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1nc(C)cs1)Cc1ccc(OC)cc1 ZINC000063549555 454422623 /nfs/dbraw/zinc/42/26/23/454422623.db2.gz NXNVEWFXNYUHTF-UHFFFAOYSA-N 1 2 331.441 3.087 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000063581292 454425459 /nfs/dbraw/zinc/42/54/59/454425459.db2.gz XAXWSJLJJLGKPI-GUXCAODWSA-N 1 2 349.434 3.347 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000063581292 454425463 /nfs/dbraw/zinc/42/54/63/454425463.db2.gz XAXWSJLJJLGKPI-GUXCAODWSA-N 1 2 349.434 3.347 20 30 EGEDLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)s1 ZINC000122115787 454510220 /nfs/dbraw/zinc/51/02/20/454510220.db2.gz PDFDFLOPPHMPNS-GUYCJALGSA-N 1 2 336.505 3.061 20 30 EGEDLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)s1 ZINC000122115787 454510226 /nfs/dbraw/zinc/51/02/26/454510226.db2.gz PDFDFLOPPHMPNS-GUYCJALGSA-N 1 2 336.505 3.061 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000123311783 454623892 /nfs/dbraw/zinc/62/38/92/454623892.db2.gz LKYQLABXTUBGAK-FQEVSTJZSA-N 1 2 342.483 3.253 20 30 EGEDLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2ccccc2)on1 ZINC000052009831 454648340 /nfs/dbraw/zinc/64/83/40/454648340.db2.gz YPZRMFLDIACJIO-KRWDZBQOSA-N 1 2 338.411 3.067 20 30 EGEDLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2ccccc2)on1 ZINC000052009831 454648345 /nfs/dbraw/zinc/64/83/45/454648345.db2.gz YPZRMFLDIACJIO-KRWDZBQOSA-N 1 2 338.411 3.067 20 30 EGEDLO CC[C@@H](C#N)NC(=O)c1ccccc1OCc1cn2cccc(C)c2[nH+]1 ZINC000123658313 454662358 /nfs/dbraw/zinc/66/23/58/454662358.db2.gz FMVXRVIXYOUBQJ-HNNXBMFYSA-N 1 2 348.406 3.254 20 30 EGEDLO CC(C)[C@H](NC(=O)C[N@H+](CCC#N)CC1CC1)c1ccc(F)cc1 ZINC000081043894 454676273 /nfs/dbraw/zinc/67/62/73/454676273.db2.gz JTJDFEWXONROFJ-IBGZPJMESA-N 1 2 331.435 3.265 20 30 EGEDLO CC(C)[C@H](NC(=O)C[N@@H+](CCC#N)CC1CC1)c1ccc(F)cc1 ZINC000081043894 454676274 /nfs/dbraw/zinc/67/62/74/454676274.db2.gz JTJDFEWXONROFJ-IBGZPJMESA-N 1 2 331.435 3.265 20 30 EGEDLO N#CCC[N@@H+](Cc1cnc2ccc(Br)cn12)CC1CC1 ZINC000093091265 454681177 /nfs/dbraw/zinc/68/11/77/454681177.db2.gz UUVFZMGKSNLFMH-UHFFFAOYSA-N 1 2 333.233 3.222 20 30 EGEDLO N#CCC[N@H+](Cc1cnc2ccc(Br)cn12)CC1CC1 ZINC000093091265 454681184 /nfs/dbraw/zinc/68/11/84/454681184.db2.gz UUVFZMGKSNLFMH-UHFFFAOYSA-N 1 2 333.233 3.222 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000066320480 454683984 /nfs/dbraw/zinc/68/39/84/454683984.db2.gz ASHHHYZYXCSFDG-AWEZNQCLSA-N 1 2 337.489 3.295 20 30 EGEDLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2cccc(C#N)c2)s1 ZINC000106879281 454728261 /nfs/dbraw/zinc/72/82/61/454728261.db2.gz PEITZPKPDZBPGT-LBPRGKRZSA-N 1 2 328.441 3.263 20 30 EGEDLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)s1 ZINC000106879281 454728264 /nfs/dbraw/zinc/72/82/64/454728264.db2.gz PEITZPKPDZBPGT-LBPRGKRZSA-N 1 2 328.441 3.263 20 30 EGEDLO C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000153250008 454775085 /nfs/dbraw/zinc/77/50/85/454775085.db2.gz LXYNGSSJELFFKH-GOSISDBHSA-N 1 2 342.487 3.438 20 30 EGEDLO CCS[C@@H](C)c1noc(CO[NH+]=C(N)c2ccc(C)c(F)c2)n1 ZINC000153285165 454778356 /nfs/dbraw/zinc/77/83/56/454778356.db2.gz VCHJKHNQUUBNDS-JTQLQIEISA-N 1 2 338.408 3.168 20 30 EGEDLO Cc1cccc(NC(=O)NC(=O)C[N@H+](CCC#N)CC(C)(C)C)c1C ZINC000109813574 454837909 /nfs/dbraw/zinc/83/79/09/454837909.db2.gz AHWLTRHGEUACEL-UHFFFAOYSA-N 1 2 344.459 3.213 20 30 EGEDLO Cc1cccc(NC(=O)NC(=O)C[N@@H+](CCC#N)CC(C)(C)C)c1C ZINC000109813574 454837912 /nfs/dbraw/zinc/83/79/12/454837912.db2.gz AHWLTRHGEUACEL-UHFFFAOYSA-N 1 2 344.459 3.213 20 30 EGEDLO Cn1cc(C[N@H+](C)Cc2cc(Br)ccc2F)cc1C#N ZINC000191225405 455467968 /nfs/dbraw/zinc/46/79/68/455467968.db2.gz FARSTKNNZXPBCG-UHFFFAOYSA-N 1 2 336.208 3.430 20 30 EGEDLO Cn1cc(C[N@@H+](C)Cc2cc(Br)ccc2F)cc1C#N ZINC000191225405 455467973 /nfs/dbraw/zinc/46/79/73/455467973.db2.gz FARSTKNNZXPBCG-UHFFFAOYSA-N 1 2 336.208 3.430 20 30 EGEDLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000185002913 455485343 /nfs/dbraw/zinc/48/53/43/455485343.db2.gz BEUWGUHLMHBSOJ-JTQLQIEISA-N 1 2 334.832 3.266 20 30 EGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(Cl)cc(Cl)c1 ZINC000154744319 454926093 /nfs/dbraw/zinc/92/60/93/454926093.db2.gz PJQNICUXPFMXHW-UHFFFAOYSA-N 1 2 342.270 3.041 20 30 EGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178186940 454941625 /nfs/dbraw/zinc/94/16/25/454941625.db2.gz UILDFXIGXHARGC-UHFFFAOYSA-N 1 2 349.394 3.315 20 30 EGEDLO CC(C)(C)n1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cn1 ZINC000155294373 454984165 /nfs/dbraw/zinc/98/41/65/454984165.db2.gz POOGETFFJBPNPC-IBGZPJMESA-N 1 2 337.471 3.021 20 30 EGEDLO COc1ccc(O)c(/C=N/C[C@@H](c2c(F)cccc2F)[NH+](C)C)c1 ZINC000114990740 454989714 /nfs/dbraw/zinc/98/97/14/454989714.db2.gz DICWJGWWIPAWPO-CTJICSLTSA-N 1 2 334.366 3.401 20 30 EGEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000155640236 455025177 /nfs/dbraw/zinc/02/51/77/455025177.db2.gz NAELVGSRYZEVGL-ZDUSSCGKSA-N 1 2 342.830 3.059 20 30 EGEDLO CCCN1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1=O ZINC000189427575 455194707 /nfs/dbraw/zinc/19/47/07/455194707.db2.gz HXZKACXCOOGNPP-UHFFFAOYSA-N 1 2 338.373 3.001 20 30 EGEDLO CCCN1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1=O ZINC000189427575 455194709 /nfs/dbraw/zinc/19/47/09/455194709.db2.gz HXZKACXCOOGNPP-UHFFFAOYSA-N 1 2 338.373 3.001 20 30 EGEDLO C=CCCC[C@H](C)NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000182985440 455204903 /nfs/dbraw/zinc/20/49/03/455204903.db2.gz DRXAAHUOHDTCCK-INIZCTEOSA-N 1 2 331.460 3.385 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000183974048 455344344 /nfs/dbraw/zinc/34/43/44/455344344.db2.gz IMZWWIFIIMWSTJ-AWEZNQCLSA-N 1 2 325.437 3.139 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000184096191 455352807 /nfs/dbraw/zinc/35/28/07/455352807.db2.gz PQKGOQCMTSADLI-AWEZNQCLSA-N 1 2 333.233 3.417 20 30 EGEDLO C[C@@H]1CSCC[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174870947 455416968 /nfs/dbraw/zinc/41/69/68/455416968.db2.gz BZKUKNITWMTAMG-CQSZACIVSA-N 1 2 327.453 3.175 20 30 EGEDLO C[C@@H]1CSCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174870947 455416974 /nfs/dbraw/zinc/41/69/74/455416974.db2.gz BZKUKNITWMTAMG-CQSZACIVSA-N 1 2 327.453 3.175 20 30 EGEDLO C=CCn1c(SCCn2cc[nH+]c2)nnc1-c1cccc(OC)c1 ZINC000160191389 455436712 /nfs/dbraw/zinc/43/67/12/455436712.db2.gz TZFCRDVHSPQWSC-UHFFFAOYSA-N 1 2 341.440 3.129 20 30 EGEDLO COCCN(C)c1ccc(/C=C/C(=O)c2cccc(OC)c2)c[nH+]1 ZINC000191209852 455464365 /nfs/dbraw/zinc/46/43/65/455464365.db2.gz QHOVXNLFOIVTFS-VQHVLOKHSA-N 1 2 326.396 3.069 20 30 EGEDLO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)[C@H]1c1ccccc1 ZINC000246464283 455494525 /nfs/dbraw/zinc/49/45/25/455494525.db2.gz NPPNZFGQZXEKND-KBRIMQKVSA-N 1 2 337.448 3.418 20 30 EGEDLO C[C@@H]1C[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)[C@H]1c1ccccc1 ZINC000246464283 455494526 /nfs/dbraw/zinc/49/45/26/455494526.db2.gz NPPNZFGQZXEKND-KBRIMQKVSA-N 1 2 337.448 3.418 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000246582385 455509813 /nfs/dbraw/zinc/50/98/13/455509813.db2.gz SOSHTFBSKODJAB-VYDXJSESSA-N 1 2 334.485 3.099 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000246582385 455509819 /nfs/dbraw/zinc/50/98/19/455509819.db2.gz SOSHTFBSKODJAB-VYDXJSESSA-N 1 2 334.485 3.099 20 30 EGEDLO CC[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1c(C)noc1C ZINC000182421097 455510712 /nfs/dbraw/zinc/51/07/12/455510712.db2.gz RPSNDMKVYWPZLQ-HNNXBMFYSA-N 1 2 337.383 3.454 20 30 EGEDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000161113781 455535228 /nfs/dbraw/zinc/53/52/28/455535228.db2.gz KRBJFNXOJMJWFR-ZDUSSCGKSA-N 1 2 326.400 3.012 20 30 EGEDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000161113781 455535230 /nfs/dbraw/zinc/53/52/30/455535230.db2.gz KRBJFNXOJMJWFR-ZDUSSCGKSA-N 1 2 326.400 3.012 20 30 EGEDLO COc1ccc(C[NH2+][C@H](C)c2nc(Cc3ccccc3)no2)cc1C#N ZINC000161534689 455579189 /nfs/dbraw/zinc/57/91/89/455579189.db2.gz HDNMCIHGCOSQHJ-CQSZACIVSA-N 1 2 348.406 3.391 20 30 EGEDLO CC#CC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000283844952 455602863 /nfs/dbraw/zinc/60/28/63/455602863.db2.gz VHTGQTALODCRAU-UHFFFAOYSA-N 1 2 325.239 3.097 20 30 EGEDLO CC(C)CO[C@H](C)C(N)=[NH+]O[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000284378196 455676104 /nfs/dbraw/zinc/67/61/04/455676104.db2.gz LVMQZMDBMXCYRO-OLZOCXBDSA-N 1 2 332.404 3.148 20 30 EGEDLO CC(C)(C)OC(=O)Nc1cccc(CO[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000284596409 455711596 /nfs/dbraw/zinc/71/15/96/455711596.db2.gz YGAINXQXKBTFDF-AWEZNQCLSA-N 1 2 335.404 3.001 20 30 EGEDLO N#CCCCC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000292681708 455730198 /nfs/dbraw/zinc/73/01/98/455730198.db2.gz RAKQHNJOGQQDDT-HNNXBMFYSA-N 1 2 337.826 3.426 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000292684965 455731575 /nfs/dbraw/zinc/73/15/75/455731575.db2.gz NCHYSCUCFUYGST-SFHVURJKSA-N 1 2 330.472 3.087 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)CCc1c[nH+]cn1C ZINC000193197456 455747033 /nfs/dbraw/zinc/74/70/33/455747033.db2.gz SBVPZDOOWLQNHO-CYBMUJFWSA-N 1 2 328.441 3.243 20 30 EGEDLO N#Cc1cc(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)ccc1F ZINC000186508597 455784078 /nfs/dbraw/zinc/78/40/78/455784078.db2.gz IZXWHLMZUISDGW-UHFFFAOYSA-N 1 2 346.352 3.459 20 30 EGEDLO CC(C)CO[C@@H](C)c1noc(C[NH2+]C2(c3cccc(C#N)c3)CC2)n1 ZINC000271846052 455784713 /nfs/dbraw/zinc/78/47/13/455784713.db2.gz WTRUEEKYNYVXCJ-AWEZNQCLSA-N 1 2 340.427 3.454 20 30 EGEDLO C=CCOc1ccc(C[NH+]2CC([C@@H](F)C(=O)OCC)C2)cc1Cl ZINC000293519538 455789361 /nfs/dbraw/zinc/78/93/61/455789361.db2.gz AUFCDCNLRYKMQQ-MRXNPFEDSA-N 1 2 341.810 3.238 20 30 EGEDLO CN(C(=O)C[N@@H+]1CCC=C(c2ccco2)C1)C1(C#N)CCCCC1 ZINC000285240905 455810453 /nfs/dbraw/zinc/81/04/53/455810453.db2.gz GOOJRXASGWNOIP-UHFFFAOYSA-N 1 2 327.428 3.054 20 30 EGEDLO CN(C(=O)C[N@H+]1CCC=C(c2ccco2)C1)C1(C#N)CCCCC1 ZINC000285240905 455810458 /nfs/dbraw/zinc/81/04/58/455810458.db2.gz GOOJRXASGWNOIP-UHFFFAOYSA-N 1 2 327.428 3.054 20 30 EGEDLO CC[C@H]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000294283236 455810725 /nfs/dbraw/zinc/81/07/25/455810725.db2.gz HLEURBVJYIHKFR-OALUTQOASA-N 1 2 325.456 3.029 20 30 EGEDLO CCN(CC)c1ccc(CNC(=O)[C@]2(C#N)CC23CCCC3)c[nH+]1 ZINC000294463509 455817060 /nfs/dbraw/zinc/81/70/60/455817060.db2.gz LRZBLNIWRXMFGS-LJQANCHMSA-N 1 2 326.444 3.018 20 30 EGEDLO C#CCCOc1ccc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000294495043 455818577 /nfs/dbraw/zinc/81/85/77/455818577.db2.gz UYMGIPMXZNDRRI-UHFFFAOYSA-N 1 2 349.434 3.014 20 30 EGEDLO C#CCCOc1ccc(C(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000294589717 455820081 /nfs/dbraw/zinc/82/00/81/455820081.db2.gz NASHPYPCXXKQJT-UHFFFAOYSA-N 1 2 337.423 3.106 20 30 EGEDLO C=CC(C)(C)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000295051709 455836923 /nfs/dbraw/zinc/83/69/23/455836923.db2.gz XTCZKPMQYVNQOY-UHFFFAOYSA-N 1 2 336.233 3.234 20 30 EGEDLO Cc1ccc2[nH+]c(CNC(=O)N[C@H](CCC#N)c3ccccc3)cn2c1 ZINC000269600331 455849926 /nfs/dbraw/zinc/84/99/26/455849926.db2.gz HVXUFFPMEHTCIG-GOSISDBHSA-N 1 2 347.422 3.487 20 30 EGEDLO CCCCCCCCNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000269992849 455854508 /nfs/dbraw/zinc/85/45/08/455854508.db2.gz VKQIGAHHRCRWBR-UHFFFAOYSA-N 1 2 348.491 3.078 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(OC)c(OC(F)F)c2)n1 ZINC000279404766 455864795 /nfs/dbraw/zinc/86/47/95/455864795.db2.gz MVIYHEMRZFPPJF-UHFFFAOYSA-N 1 2 349.381 3.148 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(OC)c(OC(F)F)c2)n1 ZINC000279404766 455864801 /nfs/dbraw/zinc/86/48/01/455864801.db2.gz MVIYHEMRZFPPJF-UHFFFAOYSA-N 1 2 349.381 3.148 20 30 EGEDLO C=C(C)[C@H](CC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)OCC ZINC000270068408 455871180 /nfs/dbraw/zinc/87/11/80/455871180.db2.gz QYVSSMWZXUESTF-LPHOPBHVSA-N 1 2 346.471 3.390 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)Cc1nnnn1-c1c(C)cccc1C ZINC000272218990 455881489 /nfs/dbraw/zinc/88/14/89/455881489.db2.gz BRRWUIKVUWVHNT-UHFFFAOYSA-N 1 2 337.427 3.103 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)Cc1nnnn1-c1c(C)cccc1C ZINC000272218990 455881491 /nfs/dbraw/zinc/88/14/91/455881491.db2.gz BRRWUIKVUWVHNT-UHFFFAOYSA-N 1 2 337.427 3.103 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cccc(C(C)=O)c1 ZINC000272270761 455896705 /nfs/dbraw/zinc/89/67/05/455896705.db2.gz LJXBKICIPUYUFQ-UHFFFAOYSA-N 1 2 326.396 3.151 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cccc(C(C)=O)c1 ZINC000272270761 455896709 /nfs/dbraw/zinc/89/67/09/455896709.db2.gz LJXBKICIPUYUFQ-UHFFFAOYSA-N 1 2 326.396 3.151 20 30 EGEDLO Cc1cc(C)c(C#N)c(NC[C@H](c2cccs2)[NH+]2CCOCC2)n1 ZINC000194902830 455898428 /nfs/dbraw/zinc/89/84/28/455898428.db2.gz HSWGTLFIAFIVGI-MRXNPFEDSA-N 1 2 342.468 3.117 20 30 EGEDLO C#CCOc1cc(F)ccc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000272301705 455907352 /nfs/dbraw/zinc/90/73/52/455907352.db2.gz RJSLRKNQNLRZGS-UHFFFAOYSA-N 1 2 325.387 3.314 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000195065911 455918601 /nfs/dbraw/zinc/91/86/01/455918601.db2.gz WBIYRXQKPKXBRX-DOTOQJQBSA-N 1 2 341.480 3.411 20 30 EGEDLO Cc1cccn2cc(CNC(=O)c3ccc(C(C)(C)C#N)cc3)[nH+]c12 ZINC000280501602 455984359 /nfs/dbraw/zinc/98/43/59/455984359.db2.gz LBAQUNYJTGMRPE-UHFFFAOYSA-N 1 2 332.407 3.374 20 30 EGEDLO C#Cc1ccc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000289255215 456119682 /nfs/dbraw/zinc/11/96/82/456119682.db2.gz MEHLVQOJFNMSTJ-QZTJIDSGSA-N 1 2 327.449 3.054 20 30 EGEDLO C#Cc1ccc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000289255215 456119684 /nfs/dbraw/zinc/11/96/84/456119684.db2.gz MEHLVQOJFNMSTJ-QZTJIDSGSA-N 1 2 327.449 3.054 20 30 EGEDLO C=CCOc1cccc(C[N@H+](C)Cc2ccc(S(C)(=O)=O)cc2)c1 ZINC000271184111 456160098 /nfs/dbraw/zinc/16/00/98/456160098.db2.gz IXUNXOJULARLBK-UHFFFAOYSA-N 1 2 345.464 3.287 20 30 EGEDLO C=CCOc1cccc(C[N@@H+](C)Cc2ccc(S(C)(=O)=O)cc2)c1 ZINC000271184111 456160102 /nfs/dbraw/zinc/16/01/02/456160102.db2.gz IXUNXOJULARLBK-UHFFFAOYSA-N 1 2 345.464 3.287 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)[C@]1(C#N)CC13CCCC3)C2 ZINC000333171810 456172406 /nfs/dbraw/zinc/17/24/06/456172406.db2.gz KLNJZBQDLJOWKM-JLTOFOAXSA-N 1 2 340.471 3.086 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2csc(-c3ccc(C)cc3)n2)C1=O ZINC000281232643 456173809 /nfs/dbraw/zinc/17/38/09/456173809.db2.gz LEMZPZWZOYLDMP-QGZVFWFLSA-N 1 2 341.480 3.337 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2csc(-c3ccc(C)cc3)n2)C1=O ZINC000281232643 456173816 /nfs/dbraw/zinc/17/38/16/456173816.db2.gz LEMZPZWZOYLDMP-QGZVFWFLSA-N 1 2 341.480 3.337 20 30 EGEDLO CC1(C)C[NH+]=C(N2CCN(c3ccc(C#N)c(Cl)c3)CC2)S1 ZINC000301735512 456202698 /nfs/dbraw/zinc/20/26/98/456202698.db2.gz HFCIGZKKXVMZRE-UHFFFAOYSA-N 1 2 334.876 3.215 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)C1=O ZINC000281379499 456217795 /nfs/dbraw/zinc/21/77/95/456217795.db2.gz OYJTYZDAWPBOHC-KRWDZBQOSA-N 1 2 345.830 3.214 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)C1=O ZINC000281379499 456217799 /nfs/dbraw/zinc/21/77/99/456217799.db2.gz OYJTYZDAWPBOHC-KRWDZBQOSA-N 1 2 345.830 3.214 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(-c3ccccc3)s2)C1=O ZINC000281395660 456222227 /nfs/dbraw/zinc/22/22/27/456222227.db2.gz XENNREWUSZYOKY-INIZCTEOSA-N 1 2 327.453 3.029 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccccc3)s2)C1=O ZINC000281395660 456222232 /nfs/dbraw/zinc/22/22/32/456222232.db2.gz XENNREWUSZYOKY-INIZCTEOSA-N 1 2 327.453 3.029 20 30 EGEDLO C=CCC(C)(C)CNC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000297532847 456244519 /nfs/dbraw/zinc/24/45/19/456244519.db2.gz YDQDXHHKMSJYSG-UHFFFAOYSA-N 1 2 332.370 3.189 20 30 EGEDLO C=C(C)[C@@H](NC(=O)N(C)Cc1[nH+]ccn1C)c1ccc(F)c(F)c1 ZINC000275148719 456271062 /nfs/dbraw/zinc/27/10/62/456271062.db2.gz RNWGLBRYQKSZCA-MRXNPFEDSA-N 1 2 334.370 3.157 20 30 EGEDLO C=CCCOCCCCC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000342868643 456284607 /nfs/dbraw/zinc/28/46/07/456284607.db2.gz YMKHKEFEWUEZDW-GOSISDBHSA-N 1 2 345.487 3.050 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCc2ccccc2NC1=O ZINC000352803981 456323590 /nfs/dbraw/zinc/32/35/90/456323590.db2.gz PIDJSCVKWUXUHL-IBGZPJMESA-N 1 2 340.423 3.104 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCc2ccccc2NC1=O ZINC000352803981 456323598 /nfs/dbraw/zinc/32/35/98/456323598.db2.gz PIDJSCVKWUXUHL-IBGZPJMESA-N 1 2 340.423 3.104 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](Cc2c(F)cccc2F)C2CCCC2)C1=O ZINC000337133934 456330343 /nfs/dbraw/zinc/33/03/43/456330343.db2.gz LHGQOJZXNGHKMC-SFHVURJKSA-N 1 2 334.410 3.496 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](Cc2c(F)cccc2F)C2CCCC2)C1=O ZINC000337133934 456330349 /nfs/dbraw/zinc/33/03/49/456330349.db2.gz LHGQOJZXNGHKMC-SFHVURJKSA-N 1 2 334.410 3.496 20 30 EGEDLO C=C(C)CN(Cc1cn2cc(C)ccc2[nH+]1)Cc1ccc(CO)o1 ZINC000352815661 456332073 /nfs/dbraw/zinc/33/20/73/456332073.db2.gz LCGZYZMYFPLHIO-UHFFFAOYSA-N 1 2 325.412 3.306 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cn2cc(C)ccc2n1)Cc1ccc(CO)o1 ZINC000352815661 456332077 /nfs/dbraw/zinc/33/20/77/456332077.db2.gz LCGZYZMYFPLHIO-UHFFFAOYSA-N 1 2 325.412 3.306 20 30 EGEDLO C=C(C)C[N@H+](Cc1cn2cc(C)ccc2n1)Cc1ccc(CO)o1 ZINC000352815661 456332083 /nfs/dbraw/zinc/33/20/83/456332083.db2.gz LCGZYZMYFPLHIO-UHFFFAOYSA-N 1 2 325.412 3.306 20 30 EGEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)CC(C)(C)C#N)[C@H](C)C1 ZINC000281927489 456364000 /nfs/dbraw/zinc/36/40/00/456364000.db2.gz SZPISIFAZAVGMI-MRXNPFEDSA-N 1 2 343.471 3.058 20 30 EGEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)CC(C)(C)C#N)[C@H](C)C1 ZINC000281927489 456364005 /nfs/dbraw/zinc/36/40/05/456364005.db2.gz SZPISIFAZAVGMI-MRXNPFEDSA-N 1 2 343.471 3.058 20 30 EGEDLO COc1cccc(OC(F)(F)F)c1C[NH2+]Cc1nc(C#N)cs1 ZINC000352863520 456372525 /nfs/dbraw/zinc/37/25/25/456372525.db2.gz VNIGSMYCUSECOO-UHFFFAOYSA-N 1 2 343.330 3.212 20 30 EGEDLO C=CCn1c(SCc2[nH+]ccn2C)nnc1-c1ccc(F)cc1 ZINC000343121120 456418825 /nfs/dbraw/zinc/41/88/25/456418825.db2.gz SAMUAJNOFMNHDQ-UHFFFAOYSA-N 1 2 329.404 3.296 20 30 EGEDLO C[NH+](C)[C@@H](CNc1c(C#N)cccc1C#N)c1c(F)cccc1F ZINC000302872929 456422673 /nfs/dbraw/zinc/42/26/73/456422673.db2.gz CQRCSFGGDLRRPJ-INIZCTEOSA-N 1 2 326.350 3.423 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NCc1cc(C#N)cs1)c1ccccc1F ZINC000343153932 456437696 /nfs/dbraw/zinc/43/76/96/456437696.db2.gz NVQQWRJDYWWFSB-MRXNPFEDSA-N 1 2 326.400 3.372 20 30 EGEDLO N#Cc1c(Br)cccc1N1CCC(n2cc[nH+]c2)CC1 ZINC000276298982 456438677 /nfs/dbraw/zinc/43/86/77/456438677.db2.gz QXKVSWHUMWDLSY-UHFFFAOYSA-N 1 2 331.217 3.359 20 30 EGEDLO CN(C)c1ccc(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)c[nH+]1 ZINC000298508506 456475846 /nfs/dbraw/zinc/47/58/46/456475846.db2.gz PIJZEQWCHLODHX-UHFFFAOYSA-N 1 2 337.427 3.270 20 30 EGEDLO COCCN(C)c1ccc(/C=C2\Cc3c(cccc3F)C2=O)c[nH+]1 ZINC000276551160 456514178 /nfs/dbraw/zinc/51/41/78/456514178.db2.gz ADUZZQIRDDOGMP-GXDHUFHOSA-N 1 2 326.371 3.126 20 30 EGEDLO C=CCC[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccccc2Br)C1 ZINC000305080093 456523278 /nfs/dbraw/zinc/52/32/78/456523278.db2.gz MDVONXUUPICETJ-CZUORRHYSA-N 1 2 340.261 3.150 20 30 EGEDLO C=CCC[C@@H](O)C[N@H+]1CCO[C@@H](c2ccccc2Br)C1 ZINC000305080093 456523282 /nfs/dbraw/zinc/52/32/82/456523282.db2.gz MDVONXUUPICETJ-CZUORRHYSA-N 1 2 340.261 3.150 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(-c3cnn(C)c3)s2)n1 ZINC000282762315 456618211 /nfs/dbraw/zinc/61/82/11/456618211.db2.gz ILKBPBPGCBVDJP-UHFFFAOYSA-N 1 2 339.468 3.000 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(-c3cnn(C)c3)s2)n1 ZINC000282762315 456618215 /nfs/dbraw/zinc/61/82/15/456618215.db2.gz ILKBPBPGCBVDJP-UHFFFAOYSA-N 1 2 339.468 3.000 20 30 EGEDLO C=C(CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000353395557 456672624 /nfs/dbraw/zinc/67/26/24/456672624.db2.gz OEPSSSJWENTUHD-UHFFFAOYSA-N 1 2 332.407 3.385 20 30 EGEDLO Cc1ccc([C@@H](CNc2nccc(C)c2C#N)[NH+]2CCOCC2)cc1 ZINC000343520596 456679732 /nfs/dbraw/zinc/67/97/32/456679732.db2.gz UTAFJIHWQGQNLH-LJQANCHMSA-N 1 2 336.439 3.056 20 30 EGEDLO Cn1c2ccc(CNC(=O)c3ccc(C#N)cc3)cc2[nH+]c1C1CC1 ZINC000283031759 456694757 /nfs/dbraw/zinc/69/47/57/456694757.db2.gz YOISQVHYUPDAGT-UHFFFAOYSA-N 1 2 330.391 3.252 20 30 EGEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC(OC2CCCC2)CC1 ZINC000328599686 456717027 /nfs/dbraw/zinc/71/70/27/456717027.db2.gz CJJXOSZFKXTTMM-HNNXBMFYSA-N 1 2 346.475 3.098 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@@]1(C)CCC(=O)NC1)C2 ZINC000328637332 456725641 /nfs/dbraw/zinc/72/56/41/456725641.db2.gz CUAUEOOXIPLPDL-SGTLLEGYSA-N 1 2 332.448 3.209 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccsc3)s2)C1=O ZINC000343619898 456749543 /nfs/dbraw/zinc/74/95/43/456749543.db2.gz KVWCUUCPHHNYRG-CQSZACIVSA-N 1 2 333.482 3.090 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccsc3)s2)C1=O ZINC000343619898 456749549 /nfs/dbraw/zinc/74/95/49/456749549.db2.gz KVWCUUCPHHNYRG-CQSZACIVSA-N 1 2 333.482 3.090 20 30 EGEDLO O=C(NCc1cn2c([nH+]1)CCCC2)c1cnc([C@H]2CCCO2)s1 ZINC000328821220 456768213 /nfs/dbraw/zinc/76/82/13/456768213.db2.gz FPLNGKHZSJHGHB-GFCCVEGCSA-N 1 2 332.429 3.032 20 30 EGEDLO CC1(C)C[N@H+](CCNC(=O)Nc2cccc3ccsc32)CCO1 ZINC000328825017 456770122 /nfs/dbraw/zinc/77/01/22/456770122.db2.gz PWPJARSOXDJRJL-UHFFFAOYSA-N 1 2 333.457 3.338 20 30 EGEDLO CC1(C)C[N@@H+](CCNC(=O)Nc2cccc3ccsc32)CCO1 ZINC000328825017 456770128 /nfs/dbraw/zinc/77/01/28/456770128.db2.gz PWPJARSOXDJRJL-UHFFFAOYSA-N 1 2 333.457 3.338 20 30 EGEDLO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1ccc(C#N)cc1F ZINC000338321412 456770140 /nfs/dbraw/zinc/77/01/40/456770140.db2.gz KTFVKGGJLCSRFT-UHFFFAOYSA-N 1 2 345.443 3.206 20 30 EGEDLO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1ccc(C#N)cc1F ZINC000338321412 456770146 /nfs/dbraw/zinc/77/01/46/456770146.db2.gz KTFVKGGJLCSRFT-UHFFFAOYSA-N 1 2 345.443 3.206 20 30 EGEDLO C[C@H]([NH+]=C([O-])N1CCC(c2c[nH+]c[nH]2)CC1)[C@@H]1COc2ccccc21 ZINC000328844671 456773677 /nfs/dbraw/zinc/77/36/77/456773677.db2.gz PYZARFCVOWPJCW-BBRMVZONSA-N 1 2 340.427 3.068 20 30 EGEDLO Cn1c2c([nH+]c1[C@H]1CCCN1CC(=O)NC1CCCC1)CCCC2 ZINC000328956080 456799518 /nfs/dbraw/zinc/79/95/18/456799518.db2.gz OYUSKNOQQBOHHX-QGZVFWFLSA-N 1 2 330.476 3.335 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)CCc2ccccc2O)c1C ZINC000344150400 456802918 /nfs/dbraw/zinc/80/29/18/456802918.db2.gz LULSPPTUGXVECZ-UHFFFAOYSA-N 1 2 326.440 3.354 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)CCc2ccccc2O)c1C ZINC000344150400 456802925 /nfs/dbraw/zinc/80/29/25/456802925.db2.gz LULSPPTUGXVECZ-UHFFFAOYSA-N 1 2 326.440 3.354 20 30 EGEDLO CCC[C@H](NC(=O)C[N@@H+]1CCO[C@@]2(CCCOC2)C1)c1ccccc1 ZINC000329074082 456828644 /nfs/dbraw/zinc/82/86/44/456828644.db2.gz PBLBDMOSKOGLFT-ICSRJNTNSA-N 1 2 346.471 3.366 20 30 EGEDLO CCC[C@H](NC(=O)C[N@H+]1CCO[C@@]2(CCCOC2)C1)c1ccccc1 ZINC000329074082 456828651 /nfs/dbraw/zinc/82/86/51/456828651.db2.gz PBLBDMOSKOGLFT-ICSRJNTNSA-N 1 2 346.471 3.366 20 30 EGEDLO C=CC[N@@H+](CCC#N)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000292121938 456861595 /nfs/dbraw/zinc/86/15/95/456861595.db2.gz ICFUERYEIQVNRM-UHFFFAOYSA-N 1 2 326.356 3.194 20 30 EGEDLO C=CC[N@H+](CCC#N)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000292121938 456861599 /nfs/dbraw/zinc/86/15/99/456861599.db2.gz ICFUERYEIQVNRM-UHFFFAOYSA-N 1 2 326.356 3.194 20 30 EGEDLO Cc1nnc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc(Cl)cn3)C2)[nH]1 ZINC000329254983 456862014 /nfs/dbraw/zinc/86/20/14/456862014.db2.gz AMABXDXSUFVKTH-JQWIXIFHSA-N 1 2 348.838 3.018 20 30 EGEDLO Cc1nnc([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc(Cl)cn3)C2)[nH]1 ZINC000329254983 456862017 /nfs/dbraw/zinc/86/20/17/456862017.db2.gz AMABXDXSUFVKTH-JQWIXIFHSA-N 1 2 348.838 3.018 20 30 EGEDLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc(Cl)cn3)C2)n1 ZINC000329254983 456862023 /nfs/dbraw/zinc/86/20/23/456862023.db2.gz AMABXDXSUFVKTH-JQWIXIFHSA-N 1 2 348.838 3.018 20 30 EGEDLO Cc1n[nH]c([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc(Cl)cn3)C2)n1 ZINC000329254983 456862026 /nfs/dbraw/zinc/86/20/26/456862026.db2.gz AMABXDXSUFVKTH-JQWIXIFHSA-N 1 2 348.838 3.018 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CCOc3cc(O)ccc3C2)cc1OC ZINC000348869346 456884753 /nfs/dbraw/zinc/88/47/53/456884753.db2.gz MUBDWTLFRVOEBO-UHFFFAOYSA-N 1 2 341.407 3.360 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CCOc3cc(O)ccc3C2)cc1OC ZINC000348869346 456884756 /nfs/dbraw/zinc/88/47/56/456884756.db2.gz MUBDWTLFRVOEBO-UHFFFAOYSA-N 1 2 341.407 3.360 20 30 EGEDLO Cc1[nH]c2c(cc(C)cc2CNC(=O)N2CCn3cc[nH+]c3C2)c1C ZINC000329416045 456886720 /nfs/dbraw/zinc/88/67/20/456886720.db2.gz GCYLERXKDDILSF-UHFFFAOYSA-N 1 2 337.427 3.219 20 30 EGEDLO O=C(N[C@H]1CCCOc2c(F)cccc21)C1([NH+]2CCOCC2)CCC1 ZINC000329441360 456891238 /nfs/dbraw/zinc/89/12/38/456891238.db2.gz KCKVQWQORNJTNR-INIZCTEOSA-N 1 2 348.418 3.251 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CC[C@H](C)[C@@H]1C)C1CCOCC1 ZINC000329476708 456896768 /nfs/dbraw/zinc/89/67/68/456896768.db2.gz OBROTWVHLAONIL-OFQRWUPVSA-N 1 2 334.464 3.015 20 30 EGEDLO [O-]C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329689716 456928123 /nfs/dbraw/zinc/92/81/23/456928123.db2.gz GJXQVISEFNHQDB-WOPDTQHZSA-N 1 2 344.381 3.139 20 30 EGEDLO [O-]C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329689716 456928128 /nfs/dbraw/zinc/92/81/28/456928128.db2.gz GJXQVISEFNHQDB-WOPDTQHZSA-N 1 2 344.381 3.139 20 30 EGEDLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329918962 456960341 /nfs/dbraw/zinc/96/03/41/456960341.db2.gz CZEKSGCADRLVGA-MIALQEHNSA-N 1 2 346.471 3.281 20 30 EGEDLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329918962 456960346 /nfs/dbraw/zinc/96/03/46/456960346.db2.gz CZEKSGCADRLVGA-MIALQEHNSA-N 1 2 346.471 3.281 20 30 EGEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000329962129 456967402 /nfs/dbraw/zinc/96/74/02/456967402.db2.gz SOJWKABFSZZXIE-CAOSSQGBSA-N 1 2 335.423 3.206 20 30 EGEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000329962129 456967406 /nfs/dbraw/zinc/96/74/06/456967406.db2.gz SOJWKABFSZZXIE-CAOSSQGBSA-N 1 2 335.423 3.206 20 30 EGEDLO C[C@H](Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000349429883 456967677 /nfs/dbraw/zinc/96/76/77/456967677.db2.gz KQFMPTUADYKJHF-GOSISDBHSA-N 1 2 347.462 3.081 20 30 EGEDLO C[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)C1 ZINC000329983685 456970169 /nfs/dbraw/zinc/97/01/69/456970169.db2.gz PTYJRVSNASHPLV-SIXLDLHFSA-N 1 2 336.455 3.115 20 30 EGEDLO C[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)C1 ZINC000329983685 456970172 /nfs/dbraw/zinc/97/01/72/456970172.db2.gz PTYJRVSNASHPLV-SIXLDLHFSA-N 1 2 336.455 3.115 20 30 EGEDLO O=C(NC[C@@H]1CCC2(CCCCC2)O1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330079335 456982404 /nfs/dbraw/zinc/98/24/04/456982404.db2.gz FYBNLZVGOLZCHJ-CVEARBPZSA-N 1 2 346.475 3.385 20 30 EGEDLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000330104373 456985503 /nfs/dbraw/zinc/98/55/03/456985503.db2.gz GXEXRKHQSZMRFC-OGNFBWPZSA-N 1 2 346.471 3.281 20 30 EGEDLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000330104373 456985506 /nfs/dbraw/zinc/98/55/06/456985506.db2.gz GXEXRKHQSZMRFC-OGNFBWPZSA-N 1 2 346.471 3.281 20 30 EGEDLO Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000330125428 456988235 /nfs/dbraw/zinc/98/82/35/456988235.db2.gz LYWRQPFANCTYSI-ZWOKBUDYSA-N 1 2 346.471 3.110 20 30 EGEDLO Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000330125428 456988237 /nfs/dbraw/zinc/98/82/37/456988237.db2.gz LYWRQPFANCTYSI-ZWOKBUDYSA-N 1 2 346.471 3.110 20 30 EGEDLO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000330144477 456992013 /nfs/dbraw/zinc/99/20/13/456992013.db2.gz ZPSWVXVGWGOPGQ-JTDSTZFVSA-N 1 2 332.444 3.241 20 30 EGEDLO Cc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000330144477 456992020 /nfs/dbraw/zinc/99/20/20/456992020.db2.gz ZPSWVXVGWGOPGQ-JTDSTZFVSA-N 1 2 332.444 3.241 20 30 EGEDLO CCc1cc(=O)c2cc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)ccc2[nH]1 ZINC000330238192 457008796 /nfs/dbraw/zinc/00/87/96/457008796.db2.gz VCTWHSCRXHQRKE-KRWDZBQOSA-N 1 2 325.412 3.305 20 30 EGEDLO CCc1cc(=O)c2cc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)ccc2[nH]1 ZINC000330238192 457008801 /nfs/dbraw/zinc/00/88/01/457008801.db2.gz VCTWHSCRXHQRKE-KRWDZBQOSA-N 1 2 325.412 3.305 20 30 EGEDLO C=C(CNC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000349705228 457021969 /nfs/dbraw/zinc/02/19/69/457021969.db2.gz ZDSRVCBHVMNHDR-UHFFFAOYSA-N 1 2 346.434 3.444 20 30 EGEDLO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000330286635 457022127 /nfs/dbraw/zinc/02/21/27/457022127.db2.gz BROCPXMBKBKASZ-SJKOYZFVSA-N 1 2 328.391 3.075 20 30 EGEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000330327031 457027941 /nfs/dbraw/zinc/02/79/41/457027941.db2.gz VJNKYPOEHCVFCX-GXTWGEPZSA-N 1 2 331.803 3.059 20 30 EGEDLO CN(Cc1[nH+]ccn1C)C(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000330709044 457074128 /nfs/dbraw/zinc/07/41/28/457074128.db2.gz ROJLOPUMEVBQQD-RYUDHWBXSA-N 1 2 332.370 3.135 20 30 EGEDLO N#CC1(F)CCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)CC1 ZINC000359352877 457075495 /nfs/dbraw/zinc/07/54/95/457075495.db2.gz RXGWRZMPAZQONE-UHFFFAOYSA-N 1 2 325.343 3.342 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c(C#N)c1C ZINC000339380181 457079546 /nfs/dbraw/zinc/07/95/46/457079546.db2.gz VYWBBKWYYGUMEM-CQSZACIVSA-N 1 2 341.386 3.335 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3F)C2)c(C#N)c1C ZINC000339380181 457079551 /nfs/dbraw/zinc/07/95/51/457079551.db2.gz VYWBBKWYYGUMEM-CQSZACIVSA-N 1 2 341.386 3.335 20 30 EGEDLO COCC(C)(C)NC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000330776352 457084318 /nfs/dbraw/zinc/08/43/18/457084318.db2.gz IXDZJNSFHNUJBF-AWEZNQCLSA-N 1 2 334.464 3.329 20 30 EGEDLO C=CC[C@H](CC)NC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000330973490 457112521 /nfs/dbraw/zinc/11/25/21/457112521.db2.gz IGWFULYIEVOKEU-INIZCTEOSA-N 1 2 345.491 3.299 20 30 EGEDLO C[C@H](CNC(=O)c1cc(Br)cc(Cl)c1O)[NH+](C)C ZINC000331245743 457153244 /nfs/dbraw/zinc/15/32/44/457153244.db2.gz UDVRBACFYFHPGW-SSDOTTSWSA-N 1 2 335.629 3.063 20 30 EGEDLO C[C@H](CNC(=O)c1cc(Cl)cc(Br)c1O)[NH+](C)C ZINC000331259531 457155728 /nfs/dbraw/zinc/15/57/28/457155728.db2.gz IVJJOOMXIVEECO-SSDOTTSWSA-N 1 2 335.629 3.063 20 30 EGEDLO C=CC[C@@H](CC)NC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000359936941 457157117 /nfs/dbraw/zinc/15/71/17/457157117.db2.gz YYZVAYPVQMPJBJ-DOMZBBRYSA-N 1 2 325.403 3.221 20 30 EGEDLO Cc1cc(C)c(NC(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)c(C)[nH+]1 ZINC000331290286 457161775 /nfs/dbraw/zinc/16/17/75/457161775.db2.gz BCOOFOJXGHQEGO-INIZCTEOSA-N 1 2 346.475 3.037 20 30 EGEDLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+]Cc3ccc(C#N)cc3F)n2)c1 ZINC000362954864 457173959 /nfs/dbraw/zinc/17/39/59/457173959.db2.gz NKPLSZGPHQRUIV-LBPRGKRZSA-N 1 2 336.374 3.037 20 30 EGEDLO C[N@@H+](Cc1cc(F)c(C(F)(F)F)cc1F)C[C@@H](O)C(F)(F)F ZINC000347001495 457193952 /nfs/dbraw/zinc/19/39/52/457193952.db2.gz ALRJFLGGILJRBT-SNVBAGLBSA-N 1 2 337.210 3.339 20 30 EGEDLO C[N@H+](Cc1cc(F)c(C(F)(F)F)cc1F)C[C@@H](O)C(F)(F)F ZINC000347001495 457193954 /nfs/dbraw/zinc/19/39/54/457193954.db2.gz ALRJFLGGILJRBT-SNVBAGLBSA-N 1 2 337.210 3.339 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000351520272 457302514 /nfs/dbraw/zinc/30/25/14/457302514.db2.gz WVKRVODUIXXAMW-NRFANRHFSA-N 1 2 340.467 3.157 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000351520272 457302520 /nfs/dbraw/zinc/30/25/20/457302520.db2.gz WVKRVODUIXXAMW-NRFANRHFSA-N 1 2 340.467 3.157 20 30 EGEDLO C=CCCOCCNC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000354893501 457328090 /nfs/dbraw/zinc/32/80/90/457328090.db2.gz XBCPVEHCKQBLGJ-UHFFFAOYSA-N 1 2 327.428 3.013 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1C ZINC000352410246 457361323 /nfs/dbraw/zinc/36/13/23/457361323.db2.gz PODGZSXWQZZNNG-INIZCTEOSA-N 1 2 346.862 3.271 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1C ZINC000352410246 457361329 /nfs/dbraw/zinc/36/13/29/457361329.db2.gz PODGZSXWQZZNNG-INIZCTEOSA-N 1 2 346.862 3.271 20 30 EGEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc2c(cc1OC)OCO2 ZINC000355353237 457362152 /nfs/dbraw/zinc/36/21/52/457362152.db2.gz GHSGSDWXKKIYEY-UHFFFAOYSA-N 1 2 336.391 3.484 20 30 EGEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc2c(cc1OC)OCO2 ZINC000355353237 457362156 /nfs/dbraw/zinc/36/21/56/457362156.db2.gz GHSGSDWXKKIYEY-UHFFFAOYSA-N 1 2 336.391 3.484 20 30 EGEDLO N#Cc1cccc(OCCCCC(=O)Nc2ccn3cc[nH+]c3c2)c1 ZINC000347361589 457374912 /nfs/dbraw/zinc/37/49/12/457374912.db2.gz WKDTYBTUROAGJG-UHFFFAOYSA-N 1 2 334.379 3.394 20 30 EGEDLO Cc1cc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(C)c[nH+]1 ZINC000378356454 457392777 /nfs/dbraw/zinc/39/27/77/457392777.db2.gz SRZDAHWNKYIINN-HKUYNNGSSA-N 1 2 334.423 3.424 20 30 EGEDLO CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352484627 457403817 /nfs/dbraw/zinc/40/38/17/457403817.db2.gz ROTKPDFIQCPRLE-UHFFFAOYSA-N 1 2 331.435 3.141 20 30 EGEDLO C=CCCC1(C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2c(C)noc2C)CC1 ZINC000356084579 457446595 /nfs/dbraw/zinc/44/65/95/457446595.db2.gz DNGFGZBRGNHEKO-HOTGVXAUSA-N 1 2 349.450 3.066 20 30 EGEDLO C=CCCC1(C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2c(C)noc2C)CC1 ZINC000356084579 457446601 /nfs/dbraw/zinc/44/66/01/457446601.db2.gz DNGFGZBRGNHEKO-HOTGVXAUSA-N 1 2 349.450 3.066 20 30 EGEDLO Cc1cc(N2CC[NH+](Cc3ccccc3Cl)CC2)c(C#N)cn1 ZINC000425243022 457470085 /nfs/dbraw/zinc/47/00/85/457470085.db2.gz SMTNPQHHCSXBIJ-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(C#N)cs1)c1ccccc1F ZINC000364124887 457489161 /nfs/dbraw/zinc/48/91/61/457489161.db2.gz BJTWMQOTCLXXSD-OAHLLOKOSA-N 1 2 340.383 3.012 20 30 EGEDLO N#CC1CC[NH+](Cc2cccc(I)c2)CC1 ZINC000342786828 457529244 /nfs/dbraw/zinc/52/92/44/457529244.db2.gz UJSPOVFQDMLFTB-UHFFFAOYSA-N 1 2 326.181 3.027 20 30 EGEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000357924890 457733216 /nfs/dbraw/zinc/73/32/16/457733216.db2.gz OZBIWNXBBBLSRF-CVEARBPZSA-N 1 2 327.472 3.367 20 30 EGEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000357924890 457733219 /nfs/dbraw/zinc/73/32/19/457733219.db2.gz OZBIWNXBBBLSRF-CVEARBPZSA-N 1 2 327.472 3.367 20 30 EGEDLO CC(C)Sc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000358028861 457744855 /nfs/dbraw/zinc/74/48/55/457744855.db2.gz DXLUMDAZBYGSID-UHFFFAOYSA-N 1 2 347.528 3.235 20 30 EGEDLO C[N@H+](CC(C)(C)C#N)[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000433309689 457806164 /nfs/dbraw/zinc/80/61/64/457806164.db2.gz CDXLQPWOUOXDSO-AWEZNQCLSA-N 1 2 339.361 3.292 20 30 EGEDLO C[N@@H+](CC(C)(C)C#N)[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000433309689 457806168 /nfs/dbraw/zinc/80/61/68/457806168.db2.gz CDXLQPWOUOXDSO-AWEZNQCLSA-N 1 2 339.361 3.292 20 30 EGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000411128274 457809093 /nfs/dbraw/zinc/80/90/93/457809093.db2.gz CQNNIDJXYCUVLT-LBPRGKRZSA-N 1 2 337.876 3.340 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000411128274 457809096 /nfs/dbraw/zinc/80/90/96/457809096.db2.gz CQNNIDJXYCUVLT-LBPRGKRZSA-N 1 2 337.876 3.340 20 30 EGEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000411130540 457809639 /nfs/dbraw/zinc/80/96/39/457809639.db2.gz HLSICYNCHYLMFN-CYBMUJFWSA-N 1 2 339.361 3.155 20 30 EGEDLO N#Cc1ccc(N2CCC[C@H](Nc3cc[nH+]c4ccncc34)C2)c(F)c1 ZINC000444076169 457848898 /nfs/dbraw/zinc/84/88/98/457848898.db2.gz KXMXADJKTULBCO-HNNXBMFYSA-N 1 2 347.397 3.143 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c(C#N)c1C ZINC000375310953 457875375 /nfs/dbraw/zinc/87/53/75/457875375.db2.gz UPUWFTPVVUTFBX-OAHLLOKOSA-N 1 2 347.484 3.066 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](OCC3CC3)C2)c(C#N)c1C ZINC000375310953 457875380 /nfs/dbraw/zinc/87/53/80/457875380.db2.gz UPUWFTPVVUTFBX-OAHLLOKOSA-N 1 2 347.484 3.066 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Nc1ccc(C#N)c(Cl)c1)CCC2 ZINC000366683750 457885536 /nfs/dbraw/zinc/88/55/36/457885536.db2.gz CMWVSDLWFWFWBF-ZDUSSCGKSA-N 1 2 343.818 3.416 20 30 EGEDLO COc1ccc(F)c(N2CC[NH+](Cc3cc(C#N)ccc3F)CC2)c1 ZINC000361931711 457962615 /nfs/dbraw/zinc/96/26/15/457962615.db2.gz YFOUIYIFPDFGTP-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000361997494 457998700 /nfs/dbraw/zinc/99/87/00/457998700.db2.gz VTEVYGYYZQOCRW-LBPRGKRZSA-N 1 2 330.350 3.167 20 30 EGEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000361997494 457998702 /nfs/dbraw/zinc/99/87/02/457998702.db2.gz VTEVYGYYZQOCRW-LBPRGKRZSA-N 1 2 330.350 3.167 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC=C(c3ccco3)C2)c(C#N)c1C ZINC000375666191 458010412 /nfs/dbraw/zinc/01/04/12/458010412.db2.gz PUNXWYKUDMFHDW-ZDUSSCGKSA-N 1 2 339.395 3.477 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC=C(c3ccco3)C2)c(C#N)c1C ZINC000375666191 458010421 /nfs/dbraw/zinc/01/04/21/458010421.db2.gz PUNXWYKUDMFHDW-ZDUSSCGKSA-N 1 2 339.395 3.477 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1Cc2ccccc2C2(CCC2)C1 ZINC000375690664 458022560 /nfs/dbraw/zinc/02/25/60/458022560.db2.gz QYIJAGUUBNIUDG-UHFFFAOYSA-N 1 2 337.448 3.496 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1Cc2ccccc2C2(CCC2)C1 ZINC000375690664 458022566 /nfs/dbraw/zinc/02/25/66/458022566.db2.gz QYIJAGUUBNIUDG-UHFFFAOYSA-N 1 2 337.448 3.496 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000362297858 458089876 /nfs/dbraw/zinc/08/98/76/458089876.db2.gz QUZDYKPBCXDKKC-NSHDSACASA-N 1 2 336.233 3.315 20 30 EGEDLO C=CC[C@H](CC)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000376126344 458205509 /nfs/dbraw/zinc/20/55/09/458205509.db2.gz CCIGNDPEWWRCTI-YOEHRIQHSA-N 1 2 342.443 3.172 20 30 EGEDLO C[C@@H]1CN(c2cccc3cnccc32)CC[N@@H+]1C[C@@H](C#N)CCC#N ZINC000447395077 458292002 /nfs/dbraw/zinc/29/20/02/458292002.db2.gz RMWKUEMWBBQVBY-IAGOWNOFSA-N 1 2 333.439 3.189 20 30 EGEDLO C[C@@H]1CN(c2cccc3cnccc32)CC[N@H+]1C[C@@H](C#N)CCC#N ZINC000447395077 458292004 /nfs/dbraw/zinc/29/20/04/458292004.db2.gz RMWKUEMWBBQVBY-IAGOWNOFSA-N 1 2 333.439 3.189 20 30 EGEDLO CC[C@@H](CC1CCCCC1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000413277311 458296028 /nfs/dbraw/zinc/29/60/28/458296028.db2.gz DOJRRXUKMCAVER-IBGZPJMESA-N 1 2 349.519 3.057 20 30 EGEDLO CC(C)(CC#N)CNc1nc(NCC(C)(C)CC#N)c(Cl)c[nH+]1 ZINC000413408865 458300423 /nfs/dbraw/zinc/30/04/23/458300423.db2.gz NJODGBJXMYVCMC-UHFFFAOYSA-N 1 2 334.855 3.255 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000376511029 458323555 /nfs/dbraw/zinc/32/35/55/458323555.db2.gz IYMUNYVRNLVISV-CYBMUJFWSA-N 1 2 345.244 3.423 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000376511029 458323559 /nfs/dbraw/zinc/32/35/59/458323559.db2.gz IYMUNYVRNLVISV-CYBMUJFWSA-N 1 2 345.244 3.423 20 30 EGEDLO N#CC1(C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)CCC1 ZINC000418139597 458371735 /nfs/dbraw/zinc/37/17/35/458371735.db2.gz HSAORIJBZKVGNL-UHFFFAOYSA-N 1 2 336.226 3.358 20 30 EGEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@@]2(C#N)C[C@@H]2C)CC1 ZINC000448647903 458404114 /nfs/dbraw/zinc/40/41/14/458404114.db2.gz ADIHLYKKLQBZOK-PMUMKWKESA-N 1 2 331.847 3.095 20 30 EGEDLO C=CCC[C@H]([NH2+]Cc1c[nH]nc1-c1c(F)cccc1F)C(=O)OCC ZINC000449658560 458428878 /nfs/dbraw/zinc/42/88/78/458428878.db2.gz TVUXUYGTUMNXOJ-HNNXBMFYSA-N 1 2 349.381 3.342 20 30 EGEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@]2(C#N)C[C@@H]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450408270 458446893 /nfs/dbraw/zinc/44/68/93/458446893.db2.gz SMXJGLHSIOENBU-SLBDDTMCSA-N 1 2 349.837 3.280 20 30 EGEDLO CC[N@H+]1CC[C@H](NC(=O)[C@]2(C#N)C[C@@H]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450408270 458446899 /nfs/dbraw/zinc/44/68/99/458446899.db2.gz SMXJGLHSIOENBU-SLBDDTMCSA-N 1 2 349.837 3.280 20 30 EGEDLO C=CCC1(C(=O)N2CCN(CC)[C@H](c3[nH]cc[nH+]3)C2)CCCCC1 ZINC000450871483 458458870 /nfs/dbraw/zinc/45/88/70/458458870.db2.gz QUJPWXOFXYRJHW-INIZCTEOSA-N 1 2 330.476 3.142 20 30 EGEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000454730850 458573115 /nfs/dbraw/zinc/57/31/15/458573115.db2.gz YTFPZMCUNOPYKL-HOCLYGCPSA-N 1 2 325.416 3.308 20 30 EGEDLO C=CCOc1cccc(C[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)c1 ZINC000424200904 458583357 /nfs/dbraw/zinc/58/33/57/458583357.db2.gz NJIUICNQKABPKL-LBPRGKRZSA-N 1 2 332.425 3.345 20 30 EGEDLO Cc1c(C#N)cccc1NC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000432288415 458709982 /nfs/dbraw/zinc/70/99/82/458709982.db2.gz YWCBCTYAISKKMZ-UHFFFAOYSA-N 1 2 345.406 3.070 20 30 EGEDLO N#Cc1ccccc1N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000506355689 458751427 /nfs/dbraw/zinc/75/14/27/458751427.db2.gz JEIJCMDZQRGGBQ-YVMONPNESA-N 1 2 348.406 3.302 20 30 EGEDLO C=CCCC1(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)CC1 ZINC000530474559 458775026 /nfs/dbraw/zinc/77/50/26/458775026.db2.gz GPRAMVRHFPGKRL-UHFFFAOYSA-N 1 2 340.427 3.084 20 30 EGEDLO CCN1CCN(c2cc(C#N)ccc2C(F)(F)F)C[C@@H]1c1[nH]cc[nH+]1 ZINC000530534085 458786471 /nfs/dbraw/zinc/78/64/71/458786471.db2.gz SLHHZWSCKOYWTA-OAHLLOKOSA-N 1 2 349.360 3.183 20 30 EGEDLO C=CCN1CC[C@@H](N(C)c2cc(C(C)(C)C)[nH+]c(C(C)(C)C)n2)C1=O ZINC000513046663 458790196 /nfs/dbraw/zinc/79/01/96/458790196.db2.gz MVEUSTXHDYINIL-CQSZACIVSA-N 1 2 344.503 3.295 20 30 EGEDLO C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000440285638 458801924 /nfs/dbraw/zinc/80/19/24/458801924.db2.gz VLQKOJQXTAPTPG-AWEZNQCLSA-N 1 2 339.395 3.283 20 30 EGEDLO C=CCC[C@H](O)C[N@@H+](C)[C@H](C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000472672036 458806049 /nfs/dbraw/zinc/80/60/49/458806049.db2.gz XYMROUASIPFRJX-WFASDCNBSA-N 1 2 346.254 3.466 20 30 EGEDLO C=CCC[C@H](O)C[N@H+](C)[C@H](C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000472672036 458806055 /nfs/dbraw/zinc/80/60/55/458806055.db2.gz XYMROUASIPFRJX-WFASDCNBSA-N 1 2 346.254 3.466 20 30 EGEDLO C=C(C)[C@@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)c(F)c1 ZINC000547952632 458815113 /nfs/dbraw/zinc/81/51/13/458815113.db2.gz APBZCHZVBXFKBL-CXAGYDPISA-N 1 2 346.381 3.093 20 30 EGEDLO C[C@@H]1CCCC[C@@H]1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000518737744 458888399 /nfs/dbraw/zinc/88/83/99/458888399.db2.gz WUHBHCGGMPDYKV-YLJYHZDGSA-N 1 2 339.483 3.419 20 30 EGEDLO C=CC[C@@H](CC)NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000466366655 458896169 /nfs/dbraw/zinc/89/61/69/458896169.db2.gz KFJPALWTKOJPHT-YRVHBARZSA-N 1 2 327.472 3.382 20 30 EGEDLO Fc1cc(F)c(C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)c(F)c1F ZINC000441365708 458928249 /nfs/dbraw/zinc/92/82/49/458928249.db2.gz BNEVUFSKNDOHEO-UHFFFAOYSA-N 1 2 327.203 3.275 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000441452517 458946968 /nfs/dbraw/zinc/94/69/68/458946968.db2.gz WMASSEDFIWUKQY-IEBWSBKVSA-N 1 2 330.472 3.181 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000441452517 458946973 /nfs/dbraw/zinc/94/69/73/458946973.db2.gz WMASSEDFIWUKQY-IEBWSBKVSA-N 1 2 330.472 3.181 20 30 EGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)NCCCCn1cc[nH+]c1 ZINC000566960658 459028695 /nfs/dbraw/zinc/02/86/95/459028695.db2.gz JYXNBNRFNYKEEI-SFHVURJKSA-N 1 2 326.444 3.150 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCCNc1nc(C#N)c(Cl)s1 ZINC000590570643 459151881 /nfs/dbraw/zinc/15/18/81/459151881.db2.gz QQNZYTMXZUXWDY-UHFFFAOYSA-N 1 2 331.832 3.250 20 30 EGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000579975093 459254556 /nfs/dbraw/zinc/25/45/56/459254556.db2.gz HMSDFJMJQWZRKB-YPMHNXCESA-N 1 2 343.349 3.044 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1 ZINC000580153906 459256554 /nfs/dbraw/zinc/25/65/54/459256554.db2.gz IQKINHABIXAQPK-HKUYNNGSSA-N 1 2 335.407 3.140 20 30 EGEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1 ZINC000580153906 459256563 /nfs/dbraw/zinc/25/65/63/459256563.db2.gz IQKINHABIXAQPK-HKUYNNGSSA-N 1 2 335.407 3.140 20 30 EGEDLO N#CCC[C@H](C#N)C[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000568627622 459319167 /nfs/dbraw/zinc/31/91/67/459319167.db2.gz FITDNVGVVDOSQZ-QMTHXVAHSA-N 1 2 345.752 3.425 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000537683815 459367931 /nfs/dbraw/zinc/36/79/31/459367931.db2.gz POZIGBLHUGJAIF-BIENJYKASA-N 1 2 331.435 3.188 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000537683815 459367937 /nfs/dbraw/zinc/36/79/37/459367937.db2.gz POZIGBLHUGJAIF-BIENJYKASA-N 1 2 331.435 3.188 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1nc(N)c2ccccc2n1 ZINC000541174889 459431973 /nfs/dbraw/zinc/43/19/73/459431973.db2.gz RMTPNLGQXKYPGP-IEBWSBKVSA-N 1 2 343.434 3.314 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1nc(N)c2ccccc2n1 ZINC000541174889 459431981 /nfs/dbraw/zinc/43/19/81/459431981.db2.gz RMTPNLGQXKYPGP-IEBWSBKVSA-N 1 2 343.434 3.314 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000569619886 459482110 /nfs/dbraw/zinc/48/21/10/459482110.db2.gz WNEUKNPWUMXONA-CYBMUJFWSA-N 1 2 332.404 3.170 20 30 EGEDLO CC#CCCNC(=O)c1ccc(OCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000541748421 459486282 /nfs/dbraw/zinc/48/62/82/459486282.db2.gz LPEUQACCVKCSKJ-UHFFFAOYSA-N 1 2 347.418 3.365 20 30 EGEDLO Cc1nc(C[N@@H+]2CC[C@](O)(CC#N)C2)oc1-c1ccc(Cl)cc1 ZINC000592150554 459538459 /nfs/dbraw/zinc/53/84/59/459538459.db2.gz GMWILXXXVKHGFD-QGZVFWFLSA-N 1 2 331.803 3.154 20 30 EGEDLO Cc1nc(C[N@H+]2CC[C@](O)(CC#N)C2)oc1-c1ccc(Cl)cc1 ZINC000592150554 459538465 /nfs/dbraw/zinc/53/84/65/459538465.db2.gz GMWILXXXVKHGFD-QGZVFWFLSA-N 1 2 331.803 3.154 20 30 EGEDLO C[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CC2(CCCC2)O1 ZINC000592195485 459546918 /nfs/dbraw/zinc/54/69/18/459546918.db2.gz SMBDXPROUXMGHW-CYBMUJFWSA-N 1 2 347.846 3.184 20 30 EGEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CC2(CCCC2)O1 ZINC000592195485 459546922 /nfs/dbraw/zinc/54/69/22/459546922.db2.gz SMBDXPROUXMGHW-CYBMUJFWSA-N 1 2 347.846 3.184 20 30 EGEDLO CC[C@@H](CC#N)[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000583573284 459561201 /nfs/dbraw/zinc/56/12/01/459561201.db2.gz PJEIUCBDIYVLDI-AAEUAGOBSA-N 1 2 325.334 3.093 20 30 EGEDLO C=CCn1cccc1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000489611776 459568485 /nfs/dbraw/zinc/56/84/85/459568485.db2.gz OEKYZZRYSIGOTD-UHFFFAOYSA-N 1 2 343.858 3.116 20 30 EGEDLO C=CCn1cccc1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000489611776 459568491 /nfs/dbraw/zinc/56/84/91/459568491.db2.gz OEKYZZRYSIGOTD-UHFFFAOYSA-N 1 2 343.858 3.116 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000489852059 459571265 /nfs/dbraw/zinc/57/12/65/459571265.db2.gz ZGBGZICDTPYLPT-IEBWSBKVSA-N 1 2 338.382 3.401 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000489852059 459571269 /nfs/dbraw/zinc/57/12/69/459571269.db2.gz ZGBGZICDTPYLPT-IEBWSBKVSA-N 1 2 338.382 3.401 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC000571927025 459574577 /nfs/dbraw/zinc/57/45/77/459574577.db2.gz LWLSIEZKLTYYGS-IBGZPJMESA-N 1 2 343.377 3.205 20 30 EGEDLO CS[C@@H]1CCN(c2cc(C)[nH+]c(N3CC[C@@H](SC)C3)c2C#N)C1 ZINC000596250034 459575242 /nfs/dbraw/zinc/57/52/42/459575242.db2.gz MBZNZHKGALWEPY-ZIAGYGMSSA-N 1 2 348.541 3.145 20 30 EGEDLO Cc1cc(NC[C@@H]2CCN(c3ccccc3Cl)C2)c(C#N)c[nH+]1 ZINC000596316626 459594425 /nfs/dbraw/zinc/59/44/25/459594425.db2.gz NTLOSGSLXBILRQ-AWEZNQCLSA-N 1 2 326.831 3.275 20 30 EGEDLO C#C[C@H](CCC)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000491193284 459604394 /nfs/dbraw/zinc/60/43/94/459604394.db2.gz XNJVZSDJALLQAN-SOLBZPMBSA-N 1 2 343.471 3.219 20 30 EGEDLO C#C[C@H](CCC)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000491193284 459604400 /nfs/dbraw/zinc/60/44/00/459604400.db2.gz XNJVZSDJALLQAN-SOLBZPMBSA-N 1 2 343.471 3.219 20 30 EGEDLO C#C[C@@H](C)N(C)C(=O)c1cccc(OCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000491325981 459617261 /nfs/dbraw/zinc/61/72/61/459617261.db2.gz IWFIATYWJJRWMK-MRXNPFEDSA-N 1 2 347.418 3.315 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)/C=C/c1cccc(C#N)c1)C2 ZINC000491400949 459623182 /nfs/dbraw/zinc/62/31/82/459623182.db2.gz LEFPIFDPKSPPJX-PYUISTEWSA-N 1 2 348.450 3.197 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000573146456 459633532 /nfs/dbraw/zinc/63/35/32/459633532.db2.gz FRANIOLUURODRA-IEBWSBKVSA-N 1 2 330.472 3.181 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000573146456 459633535 /nfs/dbraw/zinc/63/35/35/459633535.db2.gz FRANIOLUURODRA-IEBWSBKVSA-N 1 2 330.472 3.181 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cnc3ccc(C)cc3c2)n1 ZINC000491689669 459654226 /nfs/dbraw/zinc/65/42/26/459654226.db2.gz AWFKSQMDVUWUHG-UHFFFAOYSA-N 1 2 348.450 3.022 20 30 EGEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cnc3ccc(C)cc3c2)n1 ZINC000491689669 459654229 /nfs/dbraw/zinc/65/42/29/459654229.db2.gz AWFKSQMDVUWUHG-UHFFFAOYSA-N 1 2 348.450 3.022 20 30 EGEDLO CC[C@H](C)[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)OC ZINC000499798578 459654374 /nfs/dbraw/zinc/65/43/74/459654374.db2.gz UKDWFAAIHLLNLX-ZDUSSCGKSA-N 1 2 327.346 3.330 20 30 EGEDLO CC[C@H](C)[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)OC ZINC000499798578 459654380 /nfs/dbraw/zinc/65/43/80/459654380.db2.gz UKDWFAAIHLLNLX-ZDUSSCGKSA-N 1 2 327.346 3.330 20 30 EGEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000563220653 459741970 /nfs/dbraw/zinc/74/19/70/459741970.db2.gz UHPGFTMAATVXEB-JTQLQIEISA-N 1 2 328.397 3.262 20 30 EGEDLO COc1cccc(/C=[NH+]\CCCNC(=O)/C=C/c2ccccc2)c1O ZINC000493395148 459743780 /nfs/dbraw/zinc/74/37/80/459743780.db2.gz SYUQAZJUHWOTSU-IVCLMZBLSA-N 1 2 338.407 3.039 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](CC(=O)N(CCC#N)CC(C)(C)C)C(F)(F)F ZINC000563375966 459765030 /nfs/dbraw/zinc/76/50/30/459765030.db2.gz GKMAOTZQKDIHDC-GFCCVEGCSA-N 1 2 344.381 3.244 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000565051677 459781422 /nfs/dbraw/zinc/78/14/22/459781422.db2.gz PLZHXWBHQLFBFC-INIZCTEOSA-N 1 2 348.859 3.037 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnc(-c2cccc(Cl)c2)s1 ZINC000593153618 459790232 /nfs/dbraw/zinc/79/02/32/459790232.db2.gz XOUOMSVYORGBIY-INIZCTEOSA-N 1 2 348.859 3.037 20 30 EGEDLO Cc1ccc(-c2ncc(C(=O)N[C@](C)(C#N)C[NH+](C)C)s2)c(C)c1 ZINC000593155335 459790355 /nfs/dbraw/zinc/79/03/55/459790355.db2.gz OQGHXDIYKZLQGT-GOSISDBHSA-N 1 2 342.468 3.001 20 30 EGEDLO Cc1cc(C#N)cc(NC(=O)NCc2ccc[nH+]c2N2CCCC2)c1 ZINC000596927612 459797724 /nfs/dbraw/zinc/79/77/24/459797724.db2.gz DPXYEMKTAWKCLF-UHFFFAOYSA-N 1 2 335.411 3.184 20 30 EGEDLO N#C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)c(Cl)c1 ZINC000597199375 459873793 /nfs/dbraw/zinc/87/37/93/459873793.db2.gz RRWBPIMVNINAON-IAQYHMDHSA-N 1 2 349.221 3.133 20 30 EGEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CC2(C#N)CCCCC2)CC1 ZINC000597247812 459894455 /nfs/dbraw/zinc/89/44/55/459894455.db2.gz DKTCUYJHEOVBKE-KRWDZBQOSA-N 1 2 340.471 3.151 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(-c2cccc(F)c2)s1 ZINC000602331562 459896699 /nfs/dbraw/zinc/89/66/99/459896699.db2.gz FRPZLOCUZRKFAB-KRWDZBQOSA-N 1 2 331.416 3.128 20 30 EGEDLO COc1cccc([C@H](NC(=O)CCCCCC#N)c2[nH+]ccn2C)c1 ZINC000588274024 459940854 /nfs/dbraw/zinc/94/08/54/459940854.db2.gz SKABOEHUXUJRKD-SFHVURJKSA-N 1 2 340.427 3.108 20 30 EGEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CC1(C#N)CCCCC1 ZINC000597412088 459944617 /nfs/dbraw/zinc/94/46/17/459944617.db2.gz MNRKSLGPUPQDMB-UHFFFAOYSA-N 1 2 342.443 3.029 20 30 EGEDLO CC(C)(C#N)C[C@H](O)CN(Cc1cccnc1)c1[nH]c2ccccc2[nH+]1 ZINC000598702541 460000360 /nfs/dbraw/zinc/00/03/60/460000360.db2.gz UTKQIEUUQHLJJI-INIZCTEOSA-N 1 2 349.438 3.265 20 30 EGEDLO CC(C)CN(Cc1ccc(C#N)cc1)c1cc(-n2cc[nH+]c2)ncn1 ZINC000610131075 460067932 /nfs/dbraw/zinc/06/79/32/460067932.db2.gz XECMIGSPPZPMGN-UHFFFAOYSA-N 1 2 332.411 3.197 20 30 EGEDLO C[C@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1cccc(C#N)c1 ZINC000610349125 460129939 /nfs/dbraw/zinc/12/99/39/460129939.db2.gz MDPWSMSHOHLLCH-HNNXBMFYSA-N 1 2 345.406 3.304 20 30 EGEDLO Cc1ccc2ncc(C#N)c(NCCc3cn4cccc(C)c4[nH+]3)c2c1 ZINC000589864359 460152724 /nfs/dbraw/zinc/15/27/24/460152724.db2.gz VQAMVRCCDSAPGV-UHFFFAOYSA-N 1 2 341.418 3.448 20 30 EGEDLO C[C@H](CC#N)[NH2+]CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000602870596 460166260 /nfs/dbraw/zinc/16/62/60/460166260.db2.gz USZXQQQOVUARIV-KUHUBIRLSA-N 1 2 341.842 3.437 20 30 EGEDLO CSC1CC[NH+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000602924500 460187600 /nfs/dbraw/zinc/18/76/00/460187600.db2.gz XBSQYXWFFHFGAW-NSHDSACASA-N 1 2 349.525 3.263 20 30 EGEDLO N#Cc1ccc(CSc2[nH+]cnc3c2cnn3-c2ccccc2)nc1 ZINC000618908338 460216682 /nfs/dbraw/zinc/21/66/82/460216682.db2.gz SHTXVIFJDFTFLY-UHFFFAOYSA-N 1 2 344.403 3.374 20 30 EGEDLO CC(C)OC(=O)Cc1nc(C[NH2+][C@H](C)c2cccc(C#N)c2)cs1 ZINC000611387848 460351270 /nfs/dbraw/zinc/35/12/70/460351270.db2.gz USLDNLMTMWXHSX-CYBMUJFWSA-N 1 2 343.452 3.360 20 30 EGEDLO CC(C)(C#N)c1ccc(C(=O)NCC[NH+]2Cc3ccccc3C2)cc1 ZINC000619430969 460354776 /nfs/dbraw/zinc/35/47/76/460354776.db2.gz UYKKHXAOOIPNAD-UHFFFAOYSA-N 1 2 333.435 3.233 20 30 EGEDLO Cc1[nH+]c2ccc(C(=O)N[C@@H]3CCc4cc(C#N)ccc43)cc2n1C ZINC000619450123 460360098 /nfs/dbraw/zinc/36/00/98/460360098.db2.gz JVSURWWNDDSVKF-QGZVFWFLSA-N 1 2 330.391 3.171 20 30 EGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC=CCC2)c1C#N ZINC000611517560 460384525 /nfs/dbraw/zinc/38/45/25/460384525.db2.gz PPESCFJMLOWQCW-UHFFFAOYSA-N 1 2 326.444 3.292 20 30 EGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC=CCC2)c1C#N ZINC000611517560 460384532 /nfs/dbraw/zinc/38/45/32/460384532.db2.gz PPESCFJMLOWQCW-UHFFFAOYSA-N 1 2 326.444 3.292 20 30 EGEDLO N#Cc1cccc(/C=C\c2nc([C@@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000612991521 460795711 /nfs/dbraw/zinc/79/57/11/460795711.db2.gz ZGNJDQZNQUAFIW-IIAQQRLMSA-N 1 2 336.395 3.037 20 30 EGEDLO N#Cc1cccc(/C=C\c2nc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000612991521 460795720 /nfs/dbraw/zinc/79/57/20/460795720.db2.gz ZGNJDQZNQUAFIW-IIAQQRLMSA-N 1 2 336.395 3.037 20 30 EGEDLO C=CC[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000660300822 461695871 /nfs/dbraw/zinc/69/58/71/461695871.db2.gz VVDJLHAYODTHFZ-INIZCTEOSA-N 1 2 328.460 3.180 20 30 EGEDLO C=CCCn1cc(C[NH2+]Cc2ccccc2OC2CCCC2)nn1 ZINC000657318341 462042589 /nfs/dbraw/zinc/04/25/89/462042589.db2.gz KFQOROBEHBIAPA-UHFFFAOYSA-N 1 2 326.444 3.465 20 30 EGEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000639724575 462076810 /nfs/dbraw/zinc/07/68/10/462076810.db2.gz ALGRAURPLYWPIE-GJZGRUSLSA-N 1 2 335.407 3.136 20 30 EGEDLO C=CC[C@H]1CCCN(C(=O)NCc2ccc[nH+]c2N2CCCC2)C1 ZINC000661552012 462308259 /nfs/dbraw/zinc/30/82/59/462308259.db2.gz YMIVBPWXNJIZHE-INIZCTEOSA-N 1 2 328.460 3.180 20 30 EGEDLO C=CCCNC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000661571898 462313855 /nfs/dbraw/zinc/31/38/55/462313855.db2.gz ASKGHLVOIHBQCM-UHFFFAOYSA-N 1 2 336.439 3.020 20 30 EGEDLO CC#CC[C@@H](CO)Nc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000645407286 462314409 /nfs/dbraw/zinc/31/44/09/462314409.db2.gz QOTUFWHDMZYSJM-JTQLQIEISA-N 1 2 337.192 3.323 20 30 EGEDLO C=CCC1(C(=O)N2CCCN(Cc3[nH+]ccn3CC)CC2)CCCC1 ZINC000648915293 462329454 /nfs/dbraw/zinc/32/94/54/462329454.db2.gz YNLZLTZUENBKNI-UHFFFAOYSA-N 1 2 344.503 3.074 20 30 EGEDLO FC(F)(F)c1ccc(C#CC[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)cc1 ZINC000645937650 462473972 /nfs/dbraw/zinc/47/39/72/462473972.db2.gz QRCKAKFDZRVIPV-HNNXBMFYSA-N 1 2 344.327 3.082 20 30 EGEDLO FC(F)(F)c1ccc(C#CC[N@H+]2CCN3CC(F)(F)C[C@H]3C2)cc1 ZINC000645937650 462473977 /nfs/dbraw/zinc/47/39/77/462473977.db2.gz QRCKAKFDZRVIPV-HNNXBMFYSA-N 1 2 344.327 3.082 20 30 EGEDLO CC[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1nnc2n1CCCCC2 ZINC000661938863 462477704 /nfs/dbraw/zinc/47/77/04/462477704.db2.gz GAZJGLJPKMUSAJ-QGZVFWFLSA-N 1 2 326.419 3.236 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1cccc(F)c1C#N ZINC000188239020 518193008 /nfs/dbraw/zinc/19/30/08/518193008.db2.gz KBOOJCAJEBJIAT-UHFFFAOYSA-N 1 2 336.370 3.176 20 30 EGEDLO Cc1cn2cc(NC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)ccc2[nH+]1 ZINC000328874758 547486675 /nfs/dbraw/zinc/48/66/75/547486675.db2.gz ZGRHRONQZXBQRD-CYBMUJFWSA-N 1 2 326.400 3.022 20 30 EGEDLO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000333633825 547539468 /nfs/dbraw/zinc/53/94/68/547539468.db2.gz RIEHFJALTPJHLP-IACUBPJLSA-N 1 2 337.345 3.093 20 30 EGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCCn1cc[nH+]c1 ZINC000672239044 548413592 /nfs/dbraw/zinc/41/35/92/548413592.db2.gz SHKHZAFDYUSXNB-UHFFFAOYSA-N 1 2 329.448 3.046 20 30 EGEDLO C=CC[C@@H](CC)NC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000684928415 550385408 /nfs/dbraw/zinc/38/54/08/550385408.db2.gz JLBYACYEIJOIFM-GOSISDBHSA-N 1 2 345.487 3.186 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000726072599 574540153 /nfs/dbraw/zinc/54/01/53/574540153.db2.gz ZAIPRDOAWNGILU-GFCCVEGCSA-N 1 2 333.270 3.274 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000726072599 574540155 /nfs/dbraw/zinc/54/01/55/574540155.db2.gz ZAIPRDOAWNGILU-GFCCVEGCSA-N 1 2 333.270 3.274 20 30 EGEDLO COc1cccc(NC(=S)N[NH+]=Cc2ccc(N(C)C)c(F)c2)c1 ZINC000727648470 574681466 /nfs/dbraw/zinc/68/14/66/574681466.db2.gz GKJDUYPZSMEVSB-UHFFFAOYSA-N 1 2 346.431 3.221 20 30 EGEDLO C#Cc1cccc(N(Cc2ccco2)C(=O)CCCn2cc[nH+]c2)c1 ZINC000728182575 574726547 /nfs/dbraw/zinc/72/65/47/574726547.db2.gz YUKZQRKFSKDLCO-UHFFFAOYSA-N 1 2 333.391 3.471 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc(-c2ccc(CC)cc2)cs1 ZINC000730104798 574919962 /nfs/dbraw/zinc/91/99/62/574919962.db2.gz YFJJHJVJXOPRQR-KRWDZBQOSA-N 1 2 339.464 3.409 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc(-c2ccc(CC)cc2)cs1 ZINC000730104798 574919964 /nfs/dbraw/zinc/91/99/64/574919964.db2.gz YFJJHJVJXOPRQR-KRWDZBQOSA-N 1 2 339.464 3.409 20 30 EGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1nnn(-c2ccccc2)c1C ZINC000730147420 574925271 /nfs/dbraw/zinc/92/52/71/574925271.db2.gz FDCQANXWBIPUDX-UHFFFAOYSA-N 1 2 342.406 3.382 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(-c2cc(C)c(C)cc2C)[nH]n1 ZINC000730280029 574965571 /nfs/dbraw/zinc/96/55/71/574965571.db2.gz XQJMSZLZNJSFFT-SFHVURJKSA-N 1 2 336.439 3.038 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(-c2cc(C)c(C)cc2C)[nH]n1 ZINC000730280029 574965572 /nfs/dbraw/zinc/96/55/72/574965572.db2.gz XQJMSZLZNJSFFT-SFHVURJKSA-N 1 2 336.439 3.038 20 30 EGEDLO C#CCOc1ccc(NC(=O)NCCn2c(C)[nH+]c3ccccc32)cc1 ZINC000731114621 575055446 /nfs/dbraw/zinc/05/54/46/575055446.db2.gz JVNATZANOHLKDJ-UHFFFAOYSA-N 1 2 348.406 3.178 20 30 EGEDLO N#Cc1ccccc1N1CC[NH+](Cn2ccc(-c3ccccc3)n2)CC1 ZINC000731660238 575197089 /nfs/dbraw/zinc/19/70/89/575197089.db2.gz RZWCDFGDCMYDTC-UHFFFAOYSA-N 1 2 343.434 3.201 20 30 EGEDLO CCc1cccc2c(CC/[NH+]=C/c3c(O)c(C)ncc3CO)c[nH]c21 ZINC000731937845 575222569 /nfs/dbraw/zinc/22/25/69/575222569.db2.gz OUNGNTVIQUGUPE-SRZZPIQSSA-N 1 2 337.423 3.293 20 30 EGEDLO CN(C)c1ccc(C=[NH+]Nc2ccc(Br)nc2)cc1F ZINC000732712543 575283981 /nfs/dbraw/zinc/28/39/81/575283981.db2.gz AXFRNSZRECJWQX-UHFFFAOYSA-N 1 2 337.196 3.495 20 30 EGEDLO C=CC[C@H](NC(=O)NCc1cn2ccc(C)cc2[nH+]1)c1ccncc1 ZINC000734660999 575533611 /nfs/dbraw/zinc/53/36/11/575533611.db2.gz IIMKNIWZICFDGZ-KRWDZBQOSA-N 1 2 335.411 3.154 20 30 EGEDLO C=CC[C@@H](NC(=O)NCc1cn2c(cccc2C)[nH+]1)c1ccncc1 ZINC000734669330 575534399 /nfs/dbraw/zinc/53/43/99/575534399.db2.gz TVCAHTHSZVUAFD-QGZVFWFLSA-N 1 2 335.411 3.154 20 30 EGEDLO Fc1cccc(F)c1N[NH+]=Cc1ccc(N2CCOCC2)c(F)c1 ZINC000735615299 575691864 /nfs/dbraw/zinc/69/18/64/575691864.db2.gz MQXUOUWNOLYLBJ-UHFFFAOYSA-N 1 2 335.329 3.387 20 30 EGEDLO C#CCOc1ccc(C(=O)NCCC[N@@H+](CC)c2ccccc2)cc1 ZINC000741524613 576696719 /nfs/dbraw/zinc/69/67/19/576696719.db2.gz KSKHQBGZBQDQCE-UHFFFAOYSA-N 1 2 336.435 3.345 20 30 EGEDLO C#CCOc1ccc(C(=O)NCCC[N@H+](CC)c2ccccc2)cc1 ZINC000741524613 576696720 /nfs/dbraw/zinc/69/67/20/576696720.db2.gz KSKHQBGZBQDQCE-UHFFFAOYSA-N 1 2 336.435 3.345 20 30 EGEDLO CC1(C)[C@@H]2C[N@@H+](CC(=O)[C@H](C#N)c3nc4ccccc4s3)C[C@@H]21 ZINC000741807253 576724237 /nfs/dbraw/zinc/72/42/37/576724237.db2.gz YBHCPUVJUOVSDX-RWMBFGLXSA-N 1 2 325.437 3.060 20 30 EGEDLO CC1(C)[C@@H]2C[N@H+](CC(=O)[C@H](C#N)c3nc4ccccc4s3)C[C@@H]21 ZINC000741807253 576724240 /nfs/dbraw/zinc/72/42/40/576724240.db2.gz YBHCPUVJUOVSDX-RWMBFGLXSA-N 1 2 325.437 3.060 20 30 EGEDLO C#CC[N@@H+](CC(=O)NCc1ccc(C)c(F)c1)Cc1ccc(F)cc1 ZINC000744208746 576823105 /nfs/dbraw/zinc/82/31/05/576823105.db2.gz GPJAXVQJCDYIBC-UHFFFAOYSA-N 1 2 342.389 3.025 20 30 EGEDLO C#CC[N@H+](CC(=O)NCc1ccc(C)c(F)c1)Cc1ccc(F)cc1 ZINC000744208746 576823106 /nfs/dbraw/zinc/82/31/06/576823106.db2.gz GPJAXVQJCDYIBC-UHFFFAOYSA-N 1 2 342.389 3.025 20 30 EGEDLO C#CC[N@@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)Cc1ccc(F)cc1 ZINC000744211271 576823140 /nfs/dbraw/zinc/82/31/40/576823140.db2.gz IZCDANPLNKGXKQ-FRQCXROJSA-N 1 2 330.447 3.202 20 30 EGEDLO C#CC[N@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)Cc1ccc(F)cc1 ZINC000744211271 576823141 /nfs/dbraw/zinc/82/31/41/576823141.db2.gz IZCDANPLNKGXKQ-FRQCXROJSA-N 1 2 330.447 3.202 20 30 EGEDLO CCC[C@@H](CC)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000744478658 576829418 /nfs/dbraw/zinc/82/94/18/576829418.db2.gz JYPOGVUBMSFNQP-CYBMUJFWSA-N 1 2 326.444 3.225 20 30 EGEDLO CCCOc1c(Br)cc(C[NH2+]CCC#N)cc1OC ZINC000035161412 1291392864 /nfs/dbraw/zinc/39/28/64/1291392864.db2.gz ZELSMVUPBOGXSL-UHFFFAOYSA-N 1 2 327.222 3.250 20 30 EGEDLO COC(=O)C1(C#N)CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000828974526 1292523824 /nfs/dbraw/zinc/52/38/24/1292523824.db2.gz IFYGIYGKLHANMR-UHFFFAOYSA-N 1 2 329.787 3.171 20 30 EGEDLO NC(Cc1ccccc1)=[NH+]OCc1nnc(-c2cccc(Cl)c2)o1 ZINC000106436313 1293050803 /nfs/dbraw/zinc/05/08/03/1293050803.db2.gz RPTMDESRFALKEQ-UHFFFAOYSA-N 1 2 342.786 3.422 20 30 EGEDLO C=CCC[C@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000834903344 1293171433 /nfs/dbraw/zinc/17/14/33/1293171433.db2.gz HTOWHUGSHFKZJT-GXSJLCMTSA-N 1 2 332.213 3.272 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000177339905 1294665711 /nfs/dbraw/zinc/66/57/11/1294665711.db2.gz NXWMLBYQWWUTSH-INIZCTEOSA-N 1 2 333.407 3.139 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000177339905 1294665722 /nfs/dbraw/zinc/66/57/22/1294665722.db2.gz NXWMLBYQWWUTSH-INIZCTEOSA-N 1 2 333.407 3.139 20 30 EGEDLO C#CCOc1ccccc1C[N@@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000194819964 1296013163 /nfs/dbraw/zinc/01/31/63/1296013163.db2.gz XGDCETIETDMFIK-UHFFFAOYSA-N 1 2 327.380 3.019 20 30 EGEDLO C#CCOc1ccccc1C[N@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000194819964 1296013171 /nfs/dbraw/zinc/01/31/71/1296013171.db2.gz XGDCETIETDMFIK-UHFFFAOYSA-N 1 2 327.380 3.019 20 30 EGEDLO COc1ccc(O)c(/C=N\Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000299735982 1296777790 /nfs/dbraw/zinc/77/77/90/1296777790.db2.gz MSFLYQBTFRTJFW-NHDPSOOVSA-N 1 2 325.343 3.345 20 30 EGEDLO CC(C)(C#N)C[C@@H](O)CNc1ccc2[nH]c(-c3ccncc3)[nH+]c2c1 ZINC000872253286 1296852993 /nfs/dbraw/zinc/85/29/93/1296852993.db2.gz NSMBPSLIWLZUHC-OAHLLOKOSA-N 1 2 335.411 3.338 20 30 EGEDLO CC(C)(O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000719642857 1298321925 /nfs/dbraw/zinc/32/19/25/1298321925.db2.gz OVPYFUGSMAORCC-CQSZACIVSA-N 1 2 337.261 3.304 20 30 EGEDLO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000719642857 1298321939 /nfs/dbraw/zinc/32/19/39/1298321939.db2.gz OVPYFUGSMAORCC-CQSZACIVSA-N 1 2 337.261 3.304 20 30 EGEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3ccc(N4CCOC4=O)cc3)n21 ZINC000748999353 1299124219 /nfs/dbraw/zinc/12/42/19/1299124219.db2.gz VXEHHNDHZXVIGU-MDZDMXLPSA-N 1 2 347.374 3.495 20 30 EGEDLO C#C[C@@H](CC)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000754374704 1300132082 /nfs/dbraw/zinc/13/20/82/1300132082.db2.gz PSKURKGEGUEAOI-JKSUJKDBSA-N 1 2 349.272 3.114 20 30 EGEDLO CCN(CC)c1ccnc(N=NCc2c[nH+]c(C)n2-c2ccccc2)n1 ZINC000755772424 1300395602 /nfs/dbraw/zinc/39/56/02/1300395602.db2.gz DFRMPTMWACTDGW-UHFFFAOYSA-N 1 2 349.442 3.263 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000758034384 1300775463 /nfs/dbraw/zinc/77/54/63/1300775463.db2.gz GBTROPSNWGFHMK-RHSMWYFYSA-N 1 2 340.427 3.017 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000758034386 1300776237 /nfs/dbraw/zinc/77/62/37/1300776237.db2.gz GBTROPSNWGFHMK-WMLDXEAASA-N 1 2 340.427 3.017 20 30 EGEDLO Cc1[nH+]c(CN=Nc2cncc(Br)c2)c2ccccn12 ZINC000758129256 1300792518 /nfs/dbraw/zinc/79/25/18/1300792518.db2.gz GNCZMGQIEXLBLM-UHFFFAOYSA-N 1 2 330.189 3.246 20 30 EGEDLO Cc1cc(C#N)ccc1COC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000761008509 1301381495 /nfs/dbraw/zinc/38/14/95/1301381495.db2.gz SCUMKMQXROFJQV-MRXNPFEDSA-N 1 2 334.419 3.357 20 30 EGEDLO Cc1cc(C#N)ccc1COC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000761008509 1301381506 /nfs/dbraw/zinc/38/15/06/1301381506.db2.gz SCUMKMQXROFJQV-MRXNPFEDSA-N 1 2 334.419 3.357 20 30 EGEDLO C#CCCN1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000762294998 1301653408 /nfs/dbraw/zinc/65/34/08/1301653408.db2.gz VSBVBDDLYATQRY-UHFFFAOYSA-N 1 2 344.462 3.142 20 30 EGEDLO C#CC[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)C1CC1 ZINC000763959342 1301988417 /nfs/dbraw/zinc/98/84/17/1301988417.db2.gz GFFNGDAAMFAHRQ-LJQANCHMSA-N 1 2 342.439 3.190 20 30 EGEDLO C#CC[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)C1CC1 ZINC000763959342 1301988423 /nfs/dbraw/zinc/98/84/23/1301988423.db2.gz GFFNGDAAMFAHRQ-LJQANCHMSA-N 1 2 342.439 3.190 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](CC)C2CCC2)c1=S ZINC000765003719 1302183434 /nfs/dbraw/zinc/18/34/34/1302183434.db2.gz UIQBKRARZHDGKT-UHFFFAOYSA-N 1 2 329.473 3.494 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](CC)C2CCC2)c1=S ZINC000765003719 1302183443 /nfs/dbraw/zinc/18/34/43/1302183443.db2.gz UIQBKRARZHDGKT-UHFFFAOYSA-N 1 2 329.473 3.494 20 30 EGEDLO NC(=[NH+]OCc1nnc(-c2ccccc2Cl)o1)c1ccc(F)cc1 ZINC000768521240 1302922921 /nfs/dbraw/zinc/92/29/21/1302922921.db2.gz FUEJZSREPUOMDU-UHFFFAOYSA-N 1 2 346.749 3.366 20 30 EGEDLO CC(C)(C#N)CCCCOC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000768723168 1302966904 /nfs/dbraw/zinc/96/69/04/1302966904.db2.gz XKRBWRPBKGJISC-GOSISDBHSA-N 1 2 344.455 3.151 20 30 EGEDLO CC(C)(C#N)CCCCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000768723168 1302966909 /nfs/dbraw/zinc/96/69/09/1302966909.db2.gz XKRBWRPBKGJISC-GOSISDBHSA-N 1 2 344.455 3.151 20 30 EGEDLO C[C@H](CCC1CC1)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000768755095 1302971573 /nfs/dbraw/zinc/97/15/73/1302971573.db2.gz FIZQSBKWGLHDBC-CYBMUJFWSA-N 1 2 338.455 3.225 20 30 EGEDLO CCCCCCOc1ccc(C[NH+]2CCN(CC#N)CC2)cc1OC ZINC000769299041 1303088317 /nfs/dbraw/zinc/08/83/17/1303088317.db2.gz SKWNHBWKYBVPND-UHFFFAOYSA-N 1 2 345.487 3.295 20 30 EGEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC000769499349 1303127603 /nfs/dbraw/zinc/12/76/03/1303127603.db2.gz SFSBEUGXDMZWGJ-WMLDXEAASA-N 1 2 330.428 3.284 20 30 EGEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC000769499349 1303127605 /nfs/dbraw/zinc/12/76/05/1303127605.db2.gz SFSBEUGXDMZWGJ-WMLDXEAASA-N 1 2 330.428 3.284 20 30 EGEDLO C#CCCOc1ccc(C[N@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC000769499826 1303127798 /nfs/dbraw/zinc/12/77/98/1303127798.db2.gz WMUZTZZZIGTZTE-GOSISDBHSA-N 1 2 329.440 3.395 20 30 EGEDLO C#CCCOc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC000769499826 1303127803 /nfs/dbraw/zinc/12/78/03/1303127803.db2.gz WMUZTZZZIGTZTE-GOSISDBHSA-N 1 2 329.440 3.395 20 30 EGEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000769978060 1303201347 /nfs/dbraw/zinc/20/13/47/1303201347.db2.gz OLDZSWXRJSRSSC-AWEZNQCLSA-N 1 2 328.412 3.010 20 30 EGEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000769978060 1303201353 /nfs/dbraw/zinc/20/13/53/1303201353.db2.gz OLDZSWXRJSRSSC-AWEZNQCLSA-N 1 2 328.412 3.010 20 30 EGEDLO Oc1c(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)cc(Cl)c2ccccc12 ZINC000774584723 1303831679 /nfs/dbraw/zinc/83/16/79/1303831679.db2.gz APHIAHAAIICHOX-HZPDHXFCSA-N 1 2 342.830 3.393 20 30 EGEDLO NC(=[NH+]OCc1ncc(Cl)s1)c1ccc(Br)cc1 ZINC000774781147 1303860201 /nfs/dbraw/zinc/86/02/01/1303860201.db2.gz RTFBWRKLZOCFFU-UHFFFAOYSA-N 1 2 346.637 3.396 20 30 EGEDLO C#CC[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000775401794 1303957013 /nfs/dbraw/zinc/95/70/13/1303957013.db2.gz ZJVNGKVXWMUONR-KRWDZBQOSA-N 1 2 348.362 3.499 20 30 EGEDLO C[C@H](C(=O)OCc1ccc(CC#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000776114584 1304098205 /nfs/dbraw/zinc/09/82/05/1304098205.db2.gz QFCKVXLFRZBVTE-MRXNPFEDSA-N 1 2 334.419 3.243 20 30 EGEDLO C[C@H](C(=O)OCc1ccc(CC#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000776114584 1304098210 /nfs/dbraw/zinc/09/82/10/1304098210.db2.gz QFCKVXLFRZBVTE-MRXNPFEDSA-N 1 2 334.419 3.243 20 30 EGEDLO CC(=NNC1=[NH+]C[C@H](C)N1)c1sc(-c2ccc(C)cc2)nc1C ZINC000779795345 1304606088 /nfs/dbraw/zinc/60/60/88/1304606088.db2.gz SVXAVPAOGUALQE-NSHDSACASA-N 1 2 327.457 3.088 20 30 EGEDLO N#CCC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000781572716 1304844190 /nfs/dbraw/zinc/84/41/90/1304844190.db2.gz SXLVSYWCRYBZJV-UHFFFAOYSA-N 1 2 333.779 3.181 20 30 EGEDLO Cc1cccc2[nH+]cc(C=CC(=O)c3ccc(N4CCNC4=O)cc3)n21 ZINC000782367184 1304963125 /nfs/dbraw/zinc/96/31/25/1304963125.db2.gz WSLPXVPQJOVKOK-MDZDMXLPSA-N 1 2 346.390 3.068 20 30 EGEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000783375513 1305084842 /nfs/dbraw/zinc/08/48/42/1305084842.db2.gz YXZJRVWDABSDBA-GOSISDBHSA-N 1 2 347.414 3.172 20 30 EGEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000783375513 1305084850 /nfs/dbraw/zinc/08/48/50/1305084850.db2.gz YXZJRVWDABSDBA-GOSISDBHSA-N 1 2 347.414 3.172 20 30 EGEDLO C#CC[N@@H+](Cc1cc(Br)nn1C)[C@@H]1CCc2ccccc21 ZINC000787044333 1305682655 /nfs/dbraw/zinc/68/26/55/1305682655.db2.gz ZZYKQIFJWSUCNV-MRXNPFEDSA-N 1 2 344.256 3.305 20 30 EGEDLO C#CC[N@H+](Cc1cc(Br)nn1C)[C@@H]1CCc2ccccc21 ZINC000787044333 1305682658 /nfs/dbraw/zinc/68/26/58/1305682658.db2.gz ZZYKQIFJWSUCNV-MRXNPFEDSA-N 1 2 344.256 3.305 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1nc(-c2cccc(OC)c2)cs1)[C@H]1CCCO1 ZINC000893675926 1306022980 /nfs/dbraw/zinc/02/29/80/1306022980.db2.gz HTQZZKRMXCBCEV-NVXWUHKLSA-N 1 2 328.437 3.089 20 30 EGEDLO COc1ccc(N=NC(C)C[NH+]2Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000792635871 1309200715 /nfs/dbraw/zinc/20/07/15/1309200715.db2.gz XVUKDWBHWHIMRN-UHFFFAOYSA-N 1 2 340.383 3.407 20 30 EGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(C(=O)N(C)C)cc1 ZINC000793000056 1309278890 /nfs/dbraw/zinc/27/88/90/1309278890.db2.gz RQRSGMVDOZRFRG-UHFFFAOYSA-N 1 2 332.407 3.195 20 30 EGEDLO Cn1c[nH+]cc1CCOC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000793240097 1309326825 /nfs/dbraw/zinc/32/68/25/1309326825.db2.gz CPJQCDVHKIMZAZ-UHFFFAOYSA-N 1 2 330.387 3.219 20 30 EGEDLO Cn1c[nH+]cc1CCOC(=O)c1ccccc1Oc1ccccc1C#N ZINC000793249330 1309330242 /nfs/dbraw/zinc/33/02/42/1309330242.db2.gz HBLYHXFTVIBSQF-UHFFFAOYSA-N 1 2 347.374 3.484 20 30 EGEDLO N#Cc1c(=O)n(C[N@@H+]2CCCc3sccc3C2)cc2c1CCCC2 ZINC000793495387 1309384143 /nfs/dbraw/zinc/38/41/43/1309384143.db2.gz ASOQWPVTYZNEMS-UHFFFAOYSA-N 1 2 339.464 3.066 20 30 EGEDLO N#Cc1c(=O)n(C[N@H+]2CCCc3sccc3C2)cc2c1CCCC2 ZINC000793495387 1309384152 /nfs/dbraw/zinc/38/41/52/1309384152.db2.gz ASOQWPVTYZNEMS-UHFFFAOYSA-N 1 2 339.464 3.066 20 30 EGEDLO Cc1c(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)c(C#N)c2n1CCC2 ZINC000794706175 1309579842 /nfs/dbraw/zinc/57/98/42/1309579842.db2.gz FGAKVDIYSRLQQD-VOTSOKGWSA-N 1 2 340.452 3.029 20 30 EGEDLO Cc1c(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)cnn1C(C)(C)C ZINC000794714607 1309581785 /nfs/dbraw/zinc/58/17/85/1309581785.db2.gz RUYQUQSTMVVXMR-BQYQJAHWSA-N 1 2 332.473 3.361 20 30 EGEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(C#N)ccc1Cl ZINC000795506721 1309768207 /nfs/dbraw/zinc/76/82/07/1309768207.db2.gz YUSZDYXRXHMKSN-HNNXBMFYSA-N 1 2 330.819 3.253 20 30 EGEDLO CCn1c[nH+]c2c1CCN(c1cccc(Br)c1C#N)C2 ZINC000896660812 1309962635 /nfs/dbraw/zinc/96/26/35/1309962635.db2.gz UXXVPSAUWNEJFR-UHFFFAOYSA-N 1 2 331.217 3.100 20 30 EGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(F)(F)CC1 ZINC000796542735 1310025966 /nfs/dbraw/zinc/02/59/66/1310025966.db2.gz JAJDGBQIHNUUTH-CYBMUJFWSA-N 1 2 339.361 3.192 20 30 EGEDLO Cc1cccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1C ZINC000798274973 1310332917 /nfs/dbraw/zinc/33/29/17/1310332917.db2.gz LTJFFYZJVPLDRC-SJORKVTESA-N 1 2 329.444 3.152 20 30 EGEDLO O=C1C=C([NH2+]Nc2ccc(Br)cc2F)[C@H]2CCCCN12 ZINC000799478434 1310557935 /nfs/dbraw/zinc/55/79/35/1310557935.db2.gz FZHYCDROVDSUKS-CYBMUJFWSA-N 1 2 340.196 3.141 20 30 EGEDLO C=CCOc1cccnc1C(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000898312337 1310673995 /nfs/dbraw/zinc/67/39/95/1310673995.db2.gz BKVUOQQNKZNUBX-UHFFFAOYSA-N 1 2 346.456 3.197 20 30 EGEDLO CCCCC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000929363715 1328579991 /nfs/dbraw/zinc/57/99/91/1328579991.db2.gz SWJMVKPHCVPPBJ-UHFFFAOYSA-N 1 2 325.456 3.173 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc3cc(C)ccc3s2)C1 ZINC000957074611 1317172773 /nfs/dbraw/zinc/17/27/73/1317172773.db2.gz CXBUIIYPCRQTPG-UHFFFAOYSA-N 1 2 326.465 3.379 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)C1 ZINC000957409546 1317342774 /nfs/dbraw/zinc/34/27/74/1317342774.db2.gz ZLDLFDBCGFRPLZ-DOTOQJQBSA-N 1 2 334.410 3.177 20 30 EGEDLO C=C1CCN(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000929771133 1328695565 /nfs/dbraw/zinc/69/55/65/1328695565.db2.gz ZZCRTBBPKDVNIR-IRXDYDNUSA-N 1 2 343.471 3.480 20 30 EGEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1ccccc1I ZINC000903101596 1317654001 /nfs/dbraw/zinc/65/40/01/1317654001.db2.gz JSZRLABRKMDGAZ-JTQLQIEISA-N 1 2 326.181 3.246 20 30 EGEDLO CC1(C)C(C)(C)C1(C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000957942255 1317687217 /nfs/dbraw/zinc/68/72/17/1317687217.db2.gz GGYMWMWXSAWDID-UHFFFAOYSA-N 1 2 339.483 3.275 20 30 EGEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1 ZINC000809559682 1317831406 /nfs/dbraw/zinc/83/14/06/1317831406.db2.gz YBMMGHPTZUXISM-UHFFFAOYSA-N 1 2 333.435 3.326 20 30 EGEDLO N#Cc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC000810255021 1317987563 /nfs/dbraw/zinc/98/75/63/1317987563.db2.gz ULUUMLUAMZLIJE-UHFFFAOYSA-N 1 2 335.342 3.205 20 30 EGEDLO CN(C)c1[nH+]cc(CN=Nc2nc(Cl)c(Cl)cc2Cl)n1C ZINC000811633042 1318214763 /nfs/dbraw/zinc/21/47/63/1318214763.db2.gz IRTSPSRXJJYBBR-UHFFFAOYSA-N 1 2 347.637 3.287 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907809701 1318262874 /nfs/dbraw/zinc/26/28/74/1318262874.db2.gz ALALPUCCQAFWPZ-DAYGRLMNSA-N 1 2 343.471 3.022 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907809701 1318262882 /nfs/dbraw/zinc/26/28/82/1318262882.db2.gz ALALPUCCQAFWPZ-DAYGRLMNSA-N 1 2 343.471 3.022 20 30 EGEDLO C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000908645823 1318379253 /nfs/dbraw/zinc/37/92/53/1318379253.db2.gz ZFDSKMHAZJKYHM-GOSISDBHSA-N 1 2 337.423 3.071 20 30 EGEDLO C=C(C[NH+](C)C)C(=O)Nc1c(C2CC2)n[nH]c1-c1cccc(F)c1 ZINC000909717259 1318519822 /nfs/dbraw/zinc/51/98/22/1318519822.db2.gz FYWUHKSEQSGZAQ-UHFFFAOYSA-N 1 2 328.391 3.150 20 30 EGEDLO C[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cc(F)ccc1C#N)C1CC1 ZINC000960527913 1318644831 /nfs/dbraw/zinc/64/48/31/1318644831.db2.gz KTHAZKCSSCWTTG-IFXJQAMLSA-N 1 2 343.446 3.166 20 30 EGEDLO C[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N)C1CC1 ZINC000960527913 1318644838 /nfs/dbraw/zinc/64/48/38/1318644838.db2.gz KTHAZKCSSCWTTG-IFXJQAMLSA-N 1 2 343.446 3.166 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2nc(C)oc2C)C1 ZINC000960844807 1318979219 /nfs/dbraw/zinc/97/92/19/1318979219.db2.gz BGMAEFFUAIPFHU-INIZCTEOSA-N 1 2 331.460 3.071 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2nc(C)oc2C)C1 ZINC000960844807 1318979226 /nfs/dbraw/zinc/97/92/26/1318979226.db2.gz BGMAEFFUAIPFHU-INIZCTEOSA-N 1 2 331.460 3.071 20 30 EGEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(OCC2CCCCC2)cc1 ZINC000819432919 1319729452 /nfs/dbraw/zinc/72/94/52/1319729452.db2.gz PZLNUBOXYOHHPZ-IBGZPJMESA-N 1 2 345.487 3.264 20 30 EGEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(OCC2CCCCC2)cc1 ZINC000819432919 1319729459 /nfs/dbraw/zinc/72/94/59/1319729459.db2.gz PZLNUBOXYOHHPZ-IBGZPJMESA-N 1 2 345.487 3.264 20 30 EGEDLO S=C1N=NC(c2ccccc2)N1N=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000917025740 1319740738 /nfs/dbraw/zinc/74/07/38/1319740738.db2.gz CQTBCACILZBYOV-UHFFFAOYSA-N 1 2 346.419 3.302 20 30 EGEDLO CC(=[NH+]N[C@H](C)c1ccncc1)c1c(F)cccc1N1CCOCC1 ZINC000819814861 1319790125 /nfs/dbraw/zinc/79/01/25/1319790125.db2.gz GMNPPAVWZHORBC-CQSZACIVSA-N 1 2 342.418 3.132 20 30 EGEDLO Cc1c(C#N)cccc1NC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000930452637 1328858317 /nfs/dbraw/zinc/85/83/17/1328858317.db2.gz ISGFIUWOLKDHPP-UHFFFAOYSA-N 1 2 335.411 3.370 20 30 EGEDLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(C#N)cc2OC)n1 ZINC000930476771 1328867916 /nfs/dbraw/zinc/86/79/16/1328867916.db2.gz UVQRVQWCXKELPM-UHFFFAOYSA-N 1 2 344.440 3.117 20 30 EGEDLO CC(C)[N@H+](CCC#N)Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC000823408255 1320177052 /nfs/dbraw/zinc/17/70/52/1320177052.db2.gz BNLFHKMYTGZXQG-UHFFFAOYSA-N 1 2 325.412 3.496 20 30 EGEDLO CC(C)[N@@H+](CCC#N)Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC000823408255 1320177055 /nfs/dbraw/zinc/17/70/55/1320177055.db2.gz BNLFHKMYTGZXQG-UHFFFAOYSA-N 1 2 325.412 3.496 20 30 EGEDLO Cc1nc(C[NH+]2CCC(C(=O)O[C@@H]3CCC[C@H](C#N)C3)CC2)cs1 ZINC000839052257 1320858676 /nfs/dbraw/zinc/85/86/76/1320858676.db2.gz MWVILLGKKGEKMG-WMLDXEAASA-N 1 2 347.484 3.289 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(-c2ccc(OC)nc2)ccc1C ZINC000843878851 1321555039 /nfs/dbraw/zinc/55/50/39/1321555039.db2.gz FNZAKZCPTPCKTQ-IBGZPJMESA-N 1 2 349.434 3.102 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(-c2ccc(OC)nc2)ccc1C ZINC000843878851 1321555042 /nfs/dbraw/zinc/55/50/42/1321555042.db2.gz FNZAKZCPTPCKTQ-IBGZPJMESA-N 1 2 349.434 3.102 20 30 EGEDLO CCN(CC)c1ncc(C=[NH+]Nc2ccc(CC(=O)OC)cc2)s1 ZINC000844607143 1321625848 /nfs/dbraw/zinc/62/58/48/1321625848.db2.gz QYSLWBWAKHIBFK-UHFFFAOYSA-N 1 2 346.456 3.151 20 30 EGEDLO C[C@@H](CC(=O)OCc1cc(C#N)ccc1Br)n1cc[nH+]c1 ZINC000845284048 1321693741 /nfs/dbraw/zinc/69/37/41/1321693741.db2.gz JWVYFUCSGOMFKJ-NSHDSACASA-N 1 2 348.200 3.212 20 30 EGEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000847381614 1321867812 /nfs/dbraw/zinc/86/78/12/1321867812.db2.gz BGCBWGQYGMXISS-MAUKXSAKSA-N 1 2 338.455 3.164 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cc(C2CC2)nn1C ZINC000922947898 1322656493 /nfs/dbraw/zinc/65/64/93/1322656493.db2.gz MHFGLQIVQSHNSV-UHFFFAOYSA-N 1 2 329.831 3.253 20 30 EGEDLO CC(C)(C)OC(=O)NCC12CC(C1)C[N@@H+]2Cc1ccc(C#N)cc1F ZINC000852526621 1323205201 /nfs/dbraw/zinc/20/52/01/1323205201.db2.gz UPTVDIMFHKMBGI-UHFFFAOYSA-N 1 2 345.418 3.186 20 30 EGEDLO CC(C)(C)OC(=O)NCC12CC(C1)C[N@H+]2Cc1ccc(C#N)cc1F ZINC000852526621 1323205207 /nfs/dbraw/zinc/20/52/07/1323205207.db2.gz UPTVDIMFHKMBGI-UHFFFAOYSA-N 1 2 345.418 3.186 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1CNC(=O)C1=CCCC1 ZINC001024390449 1323362604 /nfs/dbraw/zinc/36/26/04/1323362604.db2.gz HSZUTWRMJDMIHN-LJQANCHMSA-N 1 2 341.430 3.278 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1CNC(=O)C1=CCCC1 ZINC001024390449 1323362608 /nfs/dbraw/zinc/36/26/08/1323362608.db2.gz HSZUTWRMJDMIHN-LJQANCHMSA-N 1 2 341.430 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccnn1[C@H](C)CC ZINC001024469256 1323425509 /nfs/dbraw/zinc/42/55/09/1323425509.db2.gz WKNXAGDSDLIFLG-HUUCEWRRSA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccnn1[C@H](C)CC ZINC001024469256 1323425514 /nfs/dbraw/zinc/42/55/14/1323425514.db2.gz WKNXAGDSDLIFLG-HUUCEWRRSA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nnc(C(C)C)o1 ZINC001025038084 1323840826 /nfs/dbraw/zinc/84/08/26/1323840826.db2.gz QMIZUZHDRMNBEC-OAHLLOKOSA-N 1 2 348.491 3.266 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1csnn1 ZINC001025259049 1324069207 /nfs/dbraw/zinc/06/92/07/1324069207.db2.gz NBMWJTORQVTENO-HOTGVXAUSA-N 1 2 348.516 3.096 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+]1Cc1csnn1 ZINC001025259049 1324069211 /nfs/dbraw/zinc/06/92/11/1324069211.db2.gz NBMWJTORQVTENO-HOTGVXAUSA-N 1 2 348.516 3.096 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1C[C@H](OCC)[C@]12CCCO2 ZINC000853479371 1325099807 /nfs/dbraw/zinc/09/98/07/1325099807.db2.gz ZGYORHVDSSRGTH-AOIWGVFYSA-N 1 2 330.428 3.012 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1CC[C@@H](C2CCCCC2)C1=O ZINC000853489734 1325102069 /nfs/dbraw/zinc/10/20/69/1325102069.db2.gz VDZDQHHLHKUFHS-IBGZPJMESA-N 1 2 325.456 3.376 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1CC[C@@H](C2CCCCC2)C1=O ZINC000853489734 1325102076 /nfs/dbraw/zinc/10/20/76/1325102076.db2.gz VDZDQHHLHKUFHS-IBGZPJMESA-N 1 2 325.456 3.376 20 30 EGEDLO C=CC[N@H+](Cn1ncc(Br)c1C1CC1)[C@H](C)COC ZINC000853535186 1325117317 /nfs/dbraw/zinc/11/73/17/1325117317.db2.gz QMBUAJMGECKQBS-LLVKDONJSA-N 1 2 328.254 3.003 20 30 EGEDLO C=CC[N@@H+](Cn1ncc(Br)c1C1CC1)[C@H](C)COC ZINC000853535186 1325117328 /nfs/dbraw/zinc/11/73/28/1325117328.db2.gz QMBUAJMGECKQBS-LLVKDONJSA-N 1 2 328.254 3.003 20 30 EGEDLO C=CC[C@@H]1CCC[N@@H+](Cn2c(=S)nc3nc(C)c(C)c(C)n32)C1 ZINC000853536591 1325117694 /nfs/dbraw/zinc/11/76/94/1325117694.db2.gz FEWIATKTINMKPY-OAHLLOKOSA-N 1 2 331.489 3.431 20 30 EGEDLO C=CC[C@@H]1CCC[N@H+](Cn2c(=S)nc3nc(C)c(C)c(C)n32)C1 ZINC000853536591 1325117701 /nfs/dbraw/zinc/11/77/01/1325117701.db2.gz FEWIATKTINMKPY-OAHLLOKOSA-N 1 2 331.489 3.431 20 30 EGEDLO NC(=[NH+]OCCC1SCCS1)c1ccc(Br)cc1 ZINC000853684639 1325147865 /nfs/dbraw/zinc/14/78/65/1325147865.db2.gz GMPIXJJRAHTWHN-UHFFFAOYSA-N 1 2 347.303 3.282 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)c2ccsc2)C1 ZINC001027288988 1325421524 /nfs/dbraw/zinc/42/15/24/1325421524.db2.gz OQXVTGRAOSBTBN-ZDUSSCGKSA-N 1 2 343.290 3.193 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccsc2)C1 ZINC001027288988 1325421527 /nfs/dbraw/zinc/42/15/27/1325421527.db2.gz OQXVTGRAOSBTBN-ZDUSSCGKSA-N 1 2 343.290 3.193 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)/C=C(\C)C2CC2)C1 ZINC001027313513 1325464541 /nfs/dbraw/zinc/46/45/41/1325464541.db2.gz GMRVQXNPAXSXQB-SAAWKEMMSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)/C=C(\C)C2CC2)C1 ZINC001027313513 1325464547 /nfs/dbraw/zinc/46/45/47/1325464547.db2.gz GMRVQXNPAXSXQB-SAAWKEMMSA-N 1 2 341.293 3.174 20 30 EGEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]([N@H+](C)Cc2nc(C(C)(C)C)cs2)C1 ZINC001027330081 1325486154 /nfs/dbraw/zinc/48/61/54/1325486154.db2.gz HXXUFYZQMDXCLV-KBPBESRZSA-N 1 2 348.516 3.023 20 30 EGEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]([N@@H+](C)Cc2nc(C(C)(C)C)cs2)C1 ZINC001027330081 1325486174 /nfs/dbraw/zinc/48/61/74/1325486174.db2.gz HXXUFYZQMDXCLV-KBPBESRZSA-N 1 2 348.516 3.023 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001034099596 1342237179 /nfs/dbraw/zinc/23/71/79/1342237179.db2.gz DCILBBJTJSFJBR-GJZGRUSLSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)C2CC2)C1 ZINC001027539027 1327838184 /nfs/dbraw/zinc/83/81/84/1327838184.db2.gz JSZQIRLFXCRVFA-AWEZNQCLSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)C2CC2)C1 ZINC001027539027 1327838194 /nfs/dbraw/zinc/83/81/94/1327838194.db2.gz JSZQIRLFXCRVFA-AWEZNQCLSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@@H+](C)Cc3nccn3CC)C2)CC1 ZINC001027559225 1327870155 /nfs/dbraw/zinc/87/01/55/1327870155.db2.gz QWPSIPPMVBFTGQ-SFHVURJKSA-N 1 2 344.503 3.072 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@H+](C)Cc3nccn3CC)C2)CC1 ZINC001027559225 1327870162 /nfs/dbraw/zinc/87/01/62/1327870162.db2.gz QWPSIPPMVBFTGQ-SFHVURJKSA-N 1 2 344.503 3.072 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@H+](C)Cc3cscn3)C2)CC1 ZINC001027559253 1327870212 /nfs/dbraw/zinc/87/02/12/1327870212.db2.gz RYAWCDDSMVXERP-QGZVFWFLSA-N 1 2 333.501 3.312 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3cscn3)C2)CC1 ZINC001027559253 1327870220 /nfs/dbraw/zinc/87/02/20/1327870220.db2.gz RYAWCDDSMVXERP-QGZVFWFLSA-N 1 2 333.501 3.312 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(C)c1 ZINC001027735447 1328162774 /nfs/dbraw/zinc/16/27/74/1328162774.db2.gz RWCDDLSFCMURRL-OAHLLOKOSA-N 1 2 337.261 3.098 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(C)c1 ZINC001027735447 1328162778 /nfs/dbraw/zinc/16/27/78/1328162778.db2.gz RWCDDLSFCMURRL-OAHLLOKOSA-N 1 2 337.261 3.098 20 30 EGEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CC(=C)Cl)CC[C@H]2C)cc1 ZINC000966973329 1328506950 /nfs/dbraw/zinc/50/69/50/1328506950.db2.gz DWQXZKZJWUWYMD-RDTXWAMCSA-N 1 2 348.874 3.444 20 30 EGEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+](CC(=C)Cl)CC[C@H]2C)cc1 ZINC000966973329 1328506959 /nfs/dbraw/zinc/50/69/59/1328506959.db2.gz DWQXZKZJWUWYMD-RDTXWAMCSA-N 1 2 348.874 3.444 20 30 EGEDLO CC(C)OCc1noc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC000933611889 1329905706 /nfs/dbraw/zinc/90/57/06/1329905706.db2.gz SDXQXDIFHCEPPD-UHFFFAOYSA-N 1 2 340.427 3.246 20 30 EGEDLO Cc1cc(NCCC2CCN(C(=O)[C@H](C)C#N)CC2)nc(C(C)C)[nH+]1 ZINC001063315100 1351810905 /nfs/dbraw/zinc/81/09/05/1351810905.db2.gz RGPLVDOWYBBLPQ-CQSZACIVSA-N 1 2 343.475 3.109 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2ccoc2C)C[C@H]1C ZINC000947033114 1332984272 /nfs/dbraw/zinc/98/42/72/1332984272.db2.gz YVMGOBDJAUJYBL-DGCLKSJQSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2ccoc2C)C[C@H]1C ZINC000947033114 1332984274 /nfs/dbraw/zinc/98/42/74/1332984274.db2.gz YVMGOBDJAUJYBL-DGCLKSJQSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2(F)CCCC2)C[C@@H]1C ZINC000947464893 1333139267 /nfs/dbraw/zinc/13/92/67/1333139267.db2.gz XWRWNQUAUAPCCH-STQMWFEESA-N 1 2 347.272 3.146 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2(F)CCCC2)C[C@@H]1C ZINC000947464893 1333139268 /nfs/dbraw/zinc/13/92/68/1333139268.db2.gz XWRWNQUAUAPCCH-STQMWFEESA-N 1 2 347.272 3.146 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(CC)o3)[C@H](C)C2)CC1 ZINC000947689562 1333224336 /nfs/dbraw/zinc/22/43/36/1333224336.db2.gz LCLCHAQTVDEEDM-WBVHZDCISA-N 1 2 345.487 3.453 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ncc(CC)o3)[C@H](C)C2)CC1 ZINC000947689562 1333224337 /nfs/dbraw/zinc/22/43/37/1333224337.db2.gz LCLCHAQTVDEEDM-WBVHZDCISA-N 1 2 345.487 3.453 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccoc1C1CC1 ZINC000948954975 1333746749 /nfs/dbraw/zinc/74/67/49/1333746749.db2.gz RHMOGNKMKFZLHO-IBGZPJMESA-N 1 2 334.419 3.119 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccoc1C1CC1 ZINC000948954975 1333746750 /nfs/dbraw/zinc/74/67/50/1333746750.db2.gz RHMOGNKMKFZLHO-IBGZPJMESA-N 1 2 334.419 3.119 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1coc2ccccc12 ZINC000948986465 1333760287 /nfs/dbraw/zinc/76/02/87/1333760287.db2.gz MEJCEFJMEIYZSV-HXUWFJFHSA-N 1 2 344.414 3.395 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1coc2ccccc12 ZINC000948986465 1333760290 /nfs/dbraw/zinc/76/02/90/1333760290.db2.gz MEJCEFJMEIYZSV-HXUWFJFHSA-N 1 2 344.414 3.395 20 30 EGEDLO CCN(C(=O)c1cc(C#N)c[nH]1)C1C[NH+](Cc2ccc(C3CC3)cc2)C1 ZINC000949854667 1333944873 /nfs/dbraw/zinc/94/48/73/1333944873.db2.gz SFKOYHKZMLOPHT-UHFFFAOYSA-N 1 2 348.450 3.110 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000950697621 1334118435 /nfs/dbraw/zinc/11/84/35/1334118435.db2.gz WINVHDMHUNBHLT-UONOGXRCSA-N 1 2 332.410 3.464 20 30 EGEDLO C#Cc1ccc(C(=O)N(CC)C2C[NH+](Cc3cccc(OC)c3)C2)cc1 ZINC000951117516 1334185886 /nfs/dbraw/zinc/18/58/86/1334185886.db2.gz VWWMRNRLXZFZHV-UHFFFAOYSA-N 1 2 348.446 3.023 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC000951785261 1334313932 /nfs/dbraw/zinc/31/39/32/1334313932.db2.gz GDWSJIAKEVNTQQ-ZMYBRWDISA-N 1 2 346.446 3.011 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccnc3ccccc32)C1 ZINC000967279867 1335686776 /nfs/dbraw/zinc/68/67/76/1335686776.db2.gz SPWASCPPQWWCFH-UGSOOPFHSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccnc3ccccc32)C1 ZINC000967279867 1335686779 /nfs/dbraw/zinc/68/67/79/1335686779.db2.gz SPWASCPPQWWCFH-UGSOOPFHSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)C2CCOCC2)C1 ZINC000967289062 1335691050 /nfs/dbraw/zinc/69/10/50/1335691050.db2.gz RATOAAJNSVDGEX-CZUORRHYSA-N 1 2 342.911 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)C2CCOCC2)C1 ZINC000967289062 1335691054 /nfs/dbraw/zinc/69/10/54/1335691054.db2.gz RATOAAJNSVDGEX-CZUORRHYSA-N 1 2 342.911 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cnc3ccsc3c2)C1 ZINC000967777458 1335815063 /nfs/dbraw/zinc/81/50/63/1335815063.db2.gz ISGRQLMHXOMLTK-XHDPSFHLSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cnc3ccsc3c2)C1 ZINC000967777458 1335815067 /nfs/dbraw/zinc/81/50/67/1335815067.db2.gz ISGRQLMHXOMLTK-XHDPSFHLSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](Cc3ccnc(Cl)c3)CC[C@H]2C)C1 ZINC000968211919 1335872882 /nfs/dbraw/zinc/87/28/82/1335872882.db2.gz MCXUPQJVPQOVNT-ZBFHGGJFSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](Cc3ccnc(Cl)c3)CC[C@H]2C)C1 ZINC000968211919 1335872885 /nfs/dbraw/zinc/87/28/85/1335872885.db2.gz MCXUPQJVPQOVNT-ZBFHGGJFSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC000968364863 1335904379 /nfs/dbraw/zinc/90/43/79/1335904379.db2.gz KSIRFZZFEGCPOK-SJKOYZFVSA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC000968364863 1335904381 /nfs/dbraw/zinc/90/43/81/1335904381.db2.gz KSIRFZZFEGCPOK-SJKOYZFVSA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3ncsc3c2)C1 ZINC000968613224 1335984235 /nfs/dbraw/zinc/98/42/35/1335984235.db2.gz BLNNBPCGLHAGLI-ABAIWWIYSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3ncsc3c2)C1 ZINC000968613224 1335984237 /nfs/dbraw/zinc/98/42/37/1335984237.db2.gz BLNNBPCGLHAGLI-ABAIWWIYSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1c(C)noc1C ZINC000968750156 1336038331 /nfs/dbraw/zinc/03/83/31/1336038331.db2.gz GKBDQCKEPZYQDI-CQSZACIVSA-N 1 2 325.840 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1c(C)noc1C ZINC000968750156 1336038333 /nfs/dbraw/zinc/03/83/33/1336038333.db2.gz GKBDQCKEPZYQDI-CQSZACIVSA-N 1 2 325.840 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1c(F)cncc1F ZINC000968877192 1336076257 /nfs/dbraw/zinc/07/62/57/1336076257.db2.gz PXMXUKZFUVEBDT-GFCCVEGCSA-N 1 2 343.805 3.087 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1c(F)cncc1F ZINC000968877192 1336076260 /nfs/dbraw/zinc/07/62/60/1336076260.db2.gz PXMXUKZFUVEBDT-GFCCVEGCSA-N 1 2 343.805 3.087 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1nc(C)oc1C ZINC000969087834 1336138887 /nfs/dbraw/zinc/13/88/87/1336138887.db2.gz GGYYEXHYNFTFLA-AWEZNQCLSA-N 1 2 325.840 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1nc(C)oc1C ZINC000969087834 1336138889 /nfs/dbraw/zinc/13/88/89/1336138889.db2.gz GGYYEXHYNFTFLA-AWEZNQCLSA-N 1 2 325.840 3.018 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(Cl)cc2OC)C1 ZINC000970338606 1336295406 /nfs/dbraw/zinc/29/54/06/1336295406.db2.gz FSWCMWGYQVTPEM-LLVKDONJSA-N 1 2 343.254 3.151 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(OC)c(C3CC3)c2)C1 ZINC000970658998 1336330628 /nfs/dbraw/zinc/33/06/28/1336330628.db2.gz ISSOSFWGEZZZEB-CYBMUJFWSA-N 1 2 348.874 3.375 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@H](C)C2CCC2)CC1 ZINC001005569315 1336372973 /nfs/dbraw/zinc/37/29/73/1336372973.db2.gz KIFFMQCVJUYRMM-CYBMUJFWSA-N 1 2 343.309 3.254 20 30 EGEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)C1CCC1 ZINC001006515000 1336518799 /nfs/dbraw/zinc/51/87/99/1336518799.db2.gz MFXAWBJOZSRMMD-GOSISDBHSA-N 1 2 330.859 3.072 20 30 EGEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)C1CCC1 ZINC001006515000 1336518800 /nfs/dbraw/zinc/51/88/00/1336518800.db2.gz MFXAWBJOZSRMMD-GOSISDBHSA-N 1 2 330.859 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3ccc(OC)cc32)C1 ZINC001007514704 1336661841 /nfs/dbraw/zinc/66/18/41/1336661841.db2.gz MSSSTLZNRRAQDJ-RDJZCZTQSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3ccc(OC)cc32)C1 ZINC001007514704 1336661843 /nfs/dbraw/zinc/66/18/43/1336661843.db2.gz MSSSTLZNRRAQDJ-RDJZCZTQSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(-n3cccc3)c2)C1 ZINC001007820702 1336707827 /nfs/dbraw/zinc/70/78/27/1336707827.db2.gz CVLSIKMNLMLVKD-KRWDZBQOSA-N 1 2 343.858 3.424 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cccc(-n3cccc3)c2)C1 ZINC001007820702 1336707830 /nfs/dbraw/zinc/70/78/30/1336707830.db2.gz CVLSIKMNLMLVKD-KRWDZBQOSA-N 1 2 343.858 3.424 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC001008070265 1336762484 /nfs/dbraw/zinc/76/24/84/1336762484.db2.gz MBYFVTCOQYYCBM-IBGZPJMESA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC001008070265 1336762487 /nfs/dbraw/zinc/76/24/87/1336762487.db2.gz MBYFVTCOQYYCBM-IBGZPJMESA-N 1 2 337.467 3.219 20 30 EGEDLO CC1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)CCCC1 ZINC001008108596 1336770892 /nfs/dbraw/zinc/77/08/92/1336770892.db2.gz LMQBMXYQQZFHDK-GOSISDBHSA-N 1 2 325.456 3.219 20 30 EGEDLO CC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)CCCC1 ZINC001008108596 1336770896 /nfs/dbraw/zinc/77/08/96/1336770896.db2.gz LMQBMXYQQZFHDK-GOSISDBHSA-N 1 2 325.456 3.219 20 30 EGEDLO CC1(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccc(Cl)cc3)C2)CCC1 ZINC001008195090 1336789325 /nfs/dbraw/zinc/78/93/25/1336789325.db2.gz FHQOBQOUAGCEBS-GOSISDBHSA-N 1 2 344.886 3.462 20 30 EGEDLO CC1(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)CCC1 ZINC001008195090 1336789327 /nfs/dbraw/zinc/78/93/27/1336789327.db2.gz FHQOBQOUAGCEBS-GOSISDBHSA-N 1 2 344.886 3.462 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1)c1ccco1 ZINC001008512069 1336873881 /nfs/dbraw/zinc/87/38/81/1336873881.db2.gz OWHAHPTUQDMBKO-QAPCUYQASA-N 1 2 337.423 3.036 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1)c1ccco1 ZINC001008512069 1336873883 /nfs/dbraw/zinc/87/38/83/1336873883.db2.gz OWHAHPTUQDMBKO-QAPCUYQASA-N 1 2 337.423 3.036 20 30 EGEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@H]1CC12CC2 ZINC001008678013 1336908761 /nfs/dbraw/zinc/90/87/61/1336908761.db2.gz RJBFLJUSZCMSQJ-ZWKOTPCHSA-N 1 2 342.870 3.072 20 30 EGEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@H]1CC12CC2 ZINC001008678013 1336908765 /nfs/dbraw/zinc/90/87/65/1336908765.db2.gz RJBFLJUSZCMSQJ-ZWKOTPCHSA-N 1 2 342.870 3.072 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(Cl)s2)C1 ZINC001008798423 1336927275 /nfs/dbraw/zinc/92/72/75/1336927275.db2.gz GKVZLVWCLGAKOS-NSHDSACASA-N 1 2 333.284 3.277 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2ccc(Cl)s2)C1 ZINC001008798423 1336927277 /nfs/dbraw/zinc/92/72/77/1336927277.db2.gz GKVZLVWCLGAKOS-NSHDSACASA-N 1 2 333.284 3.277 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c3cc(C)ccc23)C1 ZINC001008857846 1336933855 /nfs/dbraw/zinc/93/38/55/1336933855.db2.gz YIEXQGMFDNHGBA-MRXNPFEDSA-N 1 2 345.874 3.352 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c3cc(C)ccc23)C1 ZINC001008857846 1336933856 /nfs/dbraw/zinc/93/38/56/1336933856.db2.gz YIEXQGMFDNHGBA-MRXNPFEDSA-N 1 2 345.874 3.352 20 30 EGEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-c3ccco3)s2)C1 ZINC001009043470 1336959733 /nfs/dbraw/zinc/95/97/33/1336959733.db2.gz BNWILZZMUAXZFX-AWEZNQCLSA-N 1 2 328.437 3.226 20 30 EGEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(-c3ccco3)s2)C1 ZINC001009043470 1336959735 /nfs/dbraw/zinc/95/97/35/1336959735.db2.gz BNWILZZMUAXZFX-AWEZNQCLSA-N 1 2 328.437 3.226 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001009375423 1337011916 /nfs/dbraw/zinc/01/19/16/1337011916.db2.gz FJYVGWRVVXMGBP-GDBMZVCRSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001009375423 1337011920 /nfs/dbraw/zinc/01/19/20/1337011920.db2.gz FJYVGWRVVXMGBP-GDBMZVCRSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2nsc3ccccc32)C1 ZINC001009606446 1337045927 /nfs/dbraw/zinc/04/59/27/1337045927.db2.gz YBPMIHZUXBWXJR-CYBMUJFWSA-N 1 2 349.887 3.172 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2nsc3ccccc32)C1 ZINC001009606446 1337045929 /nfs/dbraw/zinc/04/59/29/1337045929.db2.gz YBPMIHZUXBWXJR-CYBMUJFWSA-N 1 2 349.887 3.172 20 30 EGEDLO Cc1csc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)c1 ZINC001014377679 1337758496 /nfs/dbraw/zinc/75/84/96/1337758496.db2.gz SZJWBGBIGAQBCS-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1csc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)c1 ZINC001014377679 1337758522 /nfs/dbraw/zinc/75/85/22/1337758522.db2.gz SZJWBGBIGAQBCS-OAHLLOKOSA-N 1 2 343.427 3.072 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2ccc3occc3c2)C1 ZINC001014523838 1337807191 /nfs/dbraw/zinc/80/71/91/1337807191.db2.gz NJGRSGPFQQONKS-LJQANCHMSA-N 1 2 345.402 3.309 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2ccc3occc3c2)C1 ZINC001014523838 1337807195 /nfs/dbraw/zinc/80/71/95/1337807195.db2.gz NJGRSGPFQQONKS-LJQANCHMSA-N 1 2 345.402 3.309 20 30 EGEDLO C[C@]1(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)CC=CCC1 ZINC001014551265 1337820520 /nfs/dbraw/zinc/82/05/20/1337820520.db2.gz QJMRRIGKWMJCNG-XLIONFOSSA-N 1 2 341.430 3.134 20 30 EGEDLO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)CC=CCC1 ZINC001014551265 1337820523 /nfs/dbraw/zinc/82/05/23/1337820523.db2.gz QJMRRIGKWMJCNG-XLIONFOSSA-N 1 2 341.430 3.134 20 30 EGEDLO Cc1oc(C)c(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)c1C ZINC001015180131 1338044616 /nfs/dbraw/zinc/04/46/16/1338044616.db2.gz YJNOTRCHUUCOJU-LJQANCHMSA-N 1 2 336.435 3.061 20 30 EGEDLO Cc1oc(C)c(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c1C ZINC001015180131 1338044620 /nfs/dbraw/zinc/04/46/20/1338044620.db2.gz YJNOTRCHUUCOJU-LJQANCHMSA-N 1 2 336.435 3.061 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[C@H]3CC=CCC3)C2)c(F)c1 ZINC001015527106 1338168597 /nfs/dbraw/zinc/16/85/97/1338168597.db2.gz LIMTYEROWOYWFI-MAUKXSAKSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C[C@H]3CC=CCC3)C2)c(F)c1 ZINC001015527106 1338168601 /nfs/dbraw/zinc/16/86/01/1338168601.db2.gz LIMTYEROWOYWFI-MAUKXSAKSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001015605255 1338205640 /nfs/dbraw/zinc/20/56/40/1338205640.db2.gz JZGPIMQIIURWBG-IJLUTSLNSA-N 1 2 345.295 3.448 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001015605255 1338205642 /nfs/dbraw/zinc/20/56/42/1338205642.db2.gz JZGPIMQIIURWBG-IJLUTSLNSA-N 1 2 345.295 3.448 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2coc(C(F)F)c2)C1 ZINC001015617931 1338209642 /nfs/dbraw/zinc/20/96/42/1338209642.db2.gz LBCNBBDTGYIKGE-HNNXBMFYSA-N 1 2 345.349 3.093 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2coc(C(F)F)c2)C1 ZINC001015617931 1338209646 /nfs/dbraw/zinc/20/96/46/1338209646.db2.gz LBCNBBDTGYIKGE-HNNXBMFYSA-N 1 2 345.349 3.093 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccnc(Cl)c3)C2)CC1 ZINC001015659943 1338238023 /nfs/dbraw/zinc/23/80/23/1338238023.db2.gz OJHWCOGCKXZTSO-MRXNPFEDSA-N 1 2 333.863 3.172 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccnc(Cl)c3)C2)CC1 ZINC001015659943 1338238027 /nfs/dbraw/zinc/23/80/27/1338238027.db2.gz OJHWCOGCKXZTSO-MRXNPFEDSA-N 1 2 333.863 3.172 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ncoc3C(C)C)C2)CC1 ZINC001015659627 1338238531 /nfs/dbraw/zinc/23/85/31/1338238531.db2.gz GAQIERKPJCOJEW-INIZCTEOSA-N 1 2 331.460 3.235 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ncoc3C(C)C)C2)CC1 ZINC001015659627 1338238535 /nfs/dbraw/zinc/23/85/35/1338238535.db2.gz GAQIERKPJCOJEW-INIZCTEOSA-N 1 2 331.460 3.235 20 30 EGEDLO CC1(C)CC[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001015671571 1338248847 /nfs/dbraw/zinc/24/88/47/1338248847.db2.gz YTFUKOMOQCGCSC-CRAIPNDOSA-N 1 2 325.456 3.075 20 30 EGEDLO CC1(C)CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001015671571 1338248851 /nfs/dbraw/zinc/24/88/51/1338248851.db2.gz YTFUKOMOQCGCSC-CRAIPNDOSA-N 1 2 325.456 3.075 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1)C1CCCC1 ZINC001015972470 1338385330 /nfs/dbraw/zinc/38/53/30/1338385330.db2.gz KCVKZFVXZFPLNP-KBXCAEBGSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1)C1CCCC1 ZINC001015972470 1338385334 /nfs/dbraw/zinc/38/53/34/1338385334.db2.gz KCVKZFVXZFPLNP-KBXCAEBGSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(c3ccccc3)CCCC2)C1 ZINC001016185672 1338495477 /nfs/dbraw/zinc/49/54/77/1338495477.db2.gz VCQBLZSQSCPKEA-KRWDZBQOSA-N 1 2 332.875 3.441 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(c3ccccc3)CCCC2)C1 ZINC001016185672 1338495478 /nfs/dbraw/zinc/49/54/78/1338495478.db2.gz VCQBLZSQSCPKEA-KRWDZBQOSA-N 1 2 332.875 3.441 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H](C[N@@H+](C)[C@H](C)c3csnn3)C2)C1 ZINC001017207920 1338953957 /nfs/dbraw/zinc/95/39/57/1338953957.db2.gz PSNDBPXDOAVXAC-CABCVRRESA-N 1 2 348.516 3.126 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H](C[N@H+](C)[C@H](C)c3csnn3)C2)C1 ZINC001017207920 1338953958 /nfs/dbraw/zinc/95/39/58/1338953958.db2.gz PSNDBPXDOAVXAC-CABCVRRESA-N 1 2 348.516 3.126 20 30 EGEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sc(C2CC2)nc1C ZINC001017554027 1339366963 /nfs/dbraw/zinc/36/69/63/1339366963.db2.gz UJWXHKXVBQUMTA-GASCZTMLSA-N 1 2 331.485 3.194 20 30 EGEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sc(C2CC2)nc1C ZINC001017554027 1339366964 /nfs/dbraw/zinc/36/69/64/1339366964.db2.gz UJWXHKXVBQUMTA-GASCZTMLSA-N 1 2 331.485 3.194 20 30 EGEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1scnc1C(F)(F)F ZINC001017625929 1339378787 /nfs/dbraw/zinc/37/87/87/1339378787.db2.gz ADVHSNBCOFYSSE-PHIMTYICSA-N 1 2 345.390 3.027 20 30 EGEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1scnc1C(F)(F)F ZINC001017625929 1339378788 /nfs/dbraw/zinc/37/87/88/1339378788.db2.gz ADVHSNBCOFYSSE-PHIMTYICSA-N 1 2 345.390 3.027 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001017760694 1339413507 /nfs/dbraw/zinc/41/35/07/1339413507.db2.gz HRSJWSHHNSYHGN-IYWMVGAKSA-N 1 2 340.442 3.018 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001017760694 1339413511 /nfs/dbraw/zinc/41/35/11/1339413511.db2.gz HRSJWSHHNSYHGN-IYWMVGAKSA-N 1 2 340.442 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)cc(OC)c1 ZINC001028218555 1340488960 /nfs/dbraw/zinc/48/89/60/1340488960.db2.gz MRNZAMFOWJWMDC-CQSZACIVSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)cc(OC)c1 ZINC001028218555 1340488961 /nfs/dbraw/zinc/48/89/61/1340488961.db2.gz MRNZAMFOWJWMDC-CQSZACIVSA-N 1 2 343.254 3.295 20 30 EGEDLO C/C(=C\C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N)C1CC1 ZINC001029231372 1340958897 /nfs/dbraw/zinc/95/88/97/1340958897.db2.gz BIDUIBPAQBBXGR-VHAPAKIJSA-N 1 2 335.451 3.090 20 30 EGEDLO C/C(=C\C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N)C1CC1 ZINC001029231372 1340958898 /nfs/dbraw/zinc/95/88/98/1340958898.db2.gz BIDUIBPAQBBXGR-VHAPAKIJSA-N 1 2 335.451 3.090 20 30 EGEDLO C/C=C(/C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029263017 1340963429 /nfs/dbraw/zinc/96/34/29/1340963429.db2.gz FQNTUTJWLBBVHY-WYOFYKISSA-N 1 2 342.870 3.333 20 30 EGEDLO C/C=C(/C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029263017 1340963430 /nfs/dbraw/zinc/96/34/30/1340963430.db2.gz FQNTUTJWLBBVHY-WYOFYKISSA-N 1 2 342.870 3.333 20 30 EGEDLO CC1(C)CC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)C1 ZINC001029294132 1340967885 /nfs/dbraw/zinc/96/78/85/1340967885.db2.gz NPAJQUYEISDKGM-BGYRXZFFSA-N 1 2 336.479 3.150 20 30 EGEDLO CC1(C)CC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)C1 ZINC001029294132 1340967887 /nfs/dbraw/zinc/96/78/87/1340967887.db2.gz NPAJQUYEISDKGM-BGYRXZFFSA-N 1 2 336.479 3.150 20 30 EGEDLO C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2C#N)CC=CCC1 ZINC001029321890 1340971762 /nfs/dbraw/zinc/97/17/62/1340971762.db2.gz WFJCDMGJVSUJLA-VWPQPMDRSA-N 1 2 349.478 3.480 20 30 EGEDLO C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2C#N)CC=CCC1 ZINC001029321890 1340971763 /nfs/dbraw/zinc/97/17/63/1340971763.db2.gz WFJCDMGJVSUJLA-VWPQPMDRSA-N 1 2 349.478 3.480 20 30 EGEDLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2C#N)CCCC1 ZINC001029413122 1340985336 /nfs/dbraw/zinc/98/53/36/1340985336.db2.gz VRVPSTLKALFITI-KDURUIRLSA-N 1 2 337.467 3.314 20 30 EGEDLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2C#N)CCCC1 ZINC001029413122 1340985337 /nfs/dbraw/zinc/98/53/37/1340985337.db2.gz VRVPSTLKALFITI-KDURUIRLSA-N 1 2 337.467 3.314 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C2CC2)no1 ZINC001029419621 1340986043 /nfs/dbraw/zinc/98/60/43/1340986043.db2.gz HYZRDKDVGBDKHJ-IYBDPMFKSA-N 1 2 343.471 3.330 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C2CC2)no1 ZINC001029419621 1340986049 /nfs/dbraw/zinc/98/60/49/1340986049.db2.gz HYZRDKDVGBDKHJ-IYBDPMFKSA-N 1 2 343.471 3.330 20 30 EGEDLO C[C@H]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)C1 ZINC001029501237 1341001845 /nfs/dbraw/zinc/00/18/45/1341001845.db2.gz KGPWHDSSCQHDJP-FYZZASKESA-N 1 2 336.479 3.150 20 30 EGEDLO C[C@H]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)C1 ZINC001029501237 1341001846 /nfs/dbraw/zinc/00/18/46/1341001846.db2.gz KGPWHDSSCQHDJP-FYZZASKESA-N 1 2 336.479 3.150 20 30 EGEDLO C=C1CCC(C(=O)NC2C[NH+](Cc3cccc4cccnc43)C2)CC1 ZINC001030899975 1341245760 /nfs/dbraw/zinc/24/57/60/1341245760.db2.gz LHMFTXLYQAWUOZ-UHFFFAOYSA-N 1 2 335.451 3.282 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001031906120 1341419041 /nfs/dbraw/zinc/41/90/41/1341419041.db2.gz FMLKOJKMVIJAOA-SFHVURJKSA-N 1 2 344.886 3.176 20 30 EGEDLO CC1(C)CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031906838 1341419452 /nfs/dbraw/zinc/41/94/52/1341419452.db2.gz VBHQQSLZNGDQRH-KRWDZBQOSA-N 1 2 343.446 3.072 20 30 EGEDLO CC(C)c1ccoc1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031921131 1341422465 /nfs/dbraw/zinc/42/24/65/1341422465.db2.gz YCSCFNIATJWCJK-UHFFFAOYSA-N 1 2 337.423 3.136 20 30 EGEDLO C[C@H]1CCC[C@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001031937813 1341426439 /nfs/dbraw/zinc/42/64/39/1341426439.db2.gz GWGMZMONVISDPD-YOEHRIQHSA-N 1 2 343.446 3.072 20 30 EGEDLO C=C1CCC(C(=O)NCC2C[NH+](Cc3nc(C)c(C)s3)C2)CC1 ZINC001031951854 1341430266 /nfs/dbraw/zinc/43/02/66/1341430266.db2.gz RBCLTKUNYRLZOL-UHFFFAOYSA-N 1 2 333.501 3.054 20 30 EGEDLO CCc1ccsc1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001032204218 1341472865 /nfs/dbraw/zinc/47/28/65/1341472865.db2.gz MYKAMMRDZJHSMV-UHFFFAOYSA-N 1 2 338.476 3.024 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cn(C(C)C)nc1C ZINC001032557778 1341539641 /nfs/dbraw/zinc/53/96/41/1341539641.db2.gz RRDCJADZVCJERI-ROUUACIJSA-N 1 2 344.503 3.160 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cn(C(C)C)nc1C ZINC001032557778 1341539642 /nfs/dbraw/zinc/53/96/42/1341539642.db2.gz RRDCJADZVCJERI-ROUUACIJSA-N 1 2 344.503 3.160 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2c(C)onc2CC)CC1 ZINC001032603087 1341554998 /nfs/dbraw/zinc/55/49/98/1341554998.db2.gz ONZZAXRKWVUILX-IRXDYDNUSA-N 1 2 343.471 3.077 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2c(C)onc2CC)CC1 ZINC001032603087 1341555000 /nfs/dbraw/zinc/55/50/00/1341555000.db2.gz ONZZAXRKWVUILX-IRXDYDNUSA-N 1 2 343.471 3.077 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cn(C(C)C)nc1C ZINC001032605559 1341556072 /nfs/dbraw/zinc/55/60/72/1341556072.db2.gz CMKQEKWPGAFWSU-BJLQDIEVSA-N 1 2 344.503 3.160 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cn(C(C)C)nc1C ZINC001032605559 1341556075 /nfs/dbraw/zinc/55/60/75/1341556075.db2.gz CMKQEKWPGAFWSU-BJLQDIEVSA-N 1 2 344.503 3.160 20 30 EGEDLO Cc1ccc(F)c(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)c1 ZINC001032649650 1341570037 /nfs/dbraw/zinc/57/00/37/1341570037.db2.gz PDYSENNTIHIYDB-ROUUACIJSA-N 1 2 349.409 3.105 20 30 EGEDLO Cc1ccc(F)c(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)c1 ZINC001032649650 1341570038 /nfs/dbraw/zinc/57/00/38/1341570038.db2.gz PDYSENNTIHIYDB-ROUUACIJSA-N 1 2 349.409 3.105 20 30 EGEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Cl)c(CCC)c1 ZINC001032730535 1341594068 /nfs/dbraw/zinc/59/40/68/1341594068.db2.gz INBUARCVOAWNMJ-IRXDYDNUSA-N 1 2 330.859 3.215 20 30 EGEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Cl)c(CCC)c1 ZINC001032730535 1341594073 /nfs/dbraw/zinc/59/40/73/1341594073.db2.gz INBUARCVOAWNMJ-IRXDYDNUSA-N 1 2 330.859 3.215 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)CC2CCCCC2)C1 ZINC001032888960 1341653119 /nfs/dbraw/zinc/65/31/19/1341653119.db2.gz AQQQXXHKBFDKCU-OAHLLOKOSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)CC2CCCCC2)C1 ZINC001032888960 1341653120 /nfs/dbraw/zinc/65/31/20/1341653120.db2.gz AQQQXXHKBFDKCU-OAHLLOKOSA-N 1 2 343.309 3.398 20 30 EGEDLO CN(C(=O)c1ccccc1F)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001032878613 1341647731 /nfs/dbraw/zinc/64/77/31/1341647731.db2.gz YSLMXECEFFMBHI-QGZVFWFLSA-N 1 2 337.398 3.044 20 30 EGEDLO CN(C(=O)c1ccccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001032878613 1341647732 /nfs/dbraw/zinc/64/77/32/1341647732.db2.gz YSLMXECEFFMBHI-QGZVFWFLSA-N 1 2 337.398 3.044 20 30 EGEDLO CN(C(=O)c1ccoc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033034351 1341703413 /nfs/dbraw/zinc/70/34/13/1341703413.db2.gz YJDPCVWVXGMPRX-OAHLLOKOSA-N 1 2 343.814 3.151 20 30 EGEDLO CN(C(=O)c1ccoc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033034351 1341703416 /nfs/dbraw/zinc/70/34/16/1341703416.db2.gz YJDPCVWVXGMPRX-OAHLLOKOSA-N 1 2 343.814 3.151 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(F)cc3ccncc32)C1 ZINC001033089393 1341719422 /nfs/dbraw/zinc/71/94/22/1341719422.db2.gz BWBQUBGRCNCDRV-OAHLLOKOSA-N 1 2 347.821 3.273 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(F)cc3ccncc32)C1 ZINC001033089393 1341719423 /nfs/dbraw/zinc/71/94/23/1341719423.db2.gz BWBQUBGRCNCDRV-OAHLLOKOSA-N 1 2 347.821 3.273 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2oc(C(F)F)cc2C)C1 ZINC001033165540 1341743022 /nfs/dbraw/zinc/74/30/22/1341743022.db2.gz MHQWBXWQLGPTJV-NSHDSACASA-N 1 2 332.778 3.424 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2oc(C(F)F)cc2C)C1 ZINC001033165540 1341743023 /nfs/dbraw/zinc/74/30/23/1341743023.db2.gz MHQWBXWQLGPTJV-NSHDSACASA-N 1 2 332.778 3.424 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001033270152 1341764842 /nfs/dbraw/zinc/76/48/42/1341764842.db2.gz YQRDGQDSEAMQCY-DOTOQJQBSA-N 1 2 336.838 3.141 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001033270152 1341764843 /nfs/dbraw/zinc/76/48/43/1341764843.db2.gz YQRDGQDSEAMQCY-DOTOQJQBSA-N 1 2 336.838 3.141 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C(C)C)nc2C)C1 ZINC001033428881 1341821985 /nfs/dbraw/zinc/82/19/85/1341821985.db2.gz GXDLDNYJUONTSF-HNNXBMFYSA-N 1 2 335.879 3.412 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C(C)C)nc2C)C1 ZINC001033428881 1341821987 /nfs/dbraw/zinc/82/19/87/1341821987.db2.gz GXDLDNYJUONTSF-HNNXBMFYSA-N 1 2 335.879 3.412 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3cccc(OC)c32)C1 ZINC001033487482 1341843681 /nfs/dbraw/zinc/84/36/81/1341843681.db2.gz HGYFYYGJSVEGTE-HZPDHXFCSA-N 1 2 348.874 3.010 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3cccc(OC)c32)C1 ZINC001033487482 1341843682 /nfs/dbraw/zinc/84/36/82/1341843682.db2.gz HGYFYYGJSVEGTE-HZPDHXFCSA-N 1 2 348.874 3.010 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001033493199 1341845999 /nfs/dbraw/zinc/84/59/99/1341845999.db2.gz UODZCZKXQDUUBK-CWRNSKLLSA-N 1 2 336.838 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001033493199 1341846000 /nfs/dbraw/zinc/84/60/00/1341846000.db2.gz UODZCZKXQDUUBK-CWRNSKLLSA-N 1 2 336.838 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3cccnc3c2)C1 ZINC001033509875 1341851713 /nfs/dbraw/zinc/85/17/13/1341851713.db2.gz PYPFFNCBDOUEIQ-INIZCTEOSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3cccnc3c2)C1 ZINC001033509875 1341851714 /nfs/dbraw/zinc/85/17/14/1341851714.db2.gz PYPFFNCBDOUEIQ-INIZCTEOSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc(N3CCCC3)c2)C1 ZINC001033526426 1341858979 /nfs/dbraw/zinc/85/89/79/1341858979.db2.gz XREUCNVMAXNMEM-SFHVURJKSA-N 1 2 347.890 3.186 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(N3CCCC3)c2)C1 ZINC001033526426 1341858980 /nfs/dbraw/zinc/85/89/80/1341858980.db2.gz XREUCNVMAXNMEM-SFHVURJKSA-N 1 2 347.890 3.186 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001033580681 1341881953 /nfs/dbraw/zinc/88/19/53/1341881953.db2.gz GZWYCZBRWHLRGC-UONOGXRCSA-N 1 2 326.893 3.445 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001033580681 1341881955 /nfs/dbraw/zinc/88/19/55/1341881955.db2.gz GZWYCZBRWHLRGC-UONOGXRCSA-N 1 2 326.893 3.445 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(OC)c(Cl)c2)C1 ZINC001033647943 1341927660 /nfs/dbraw/zinc/92/76/60/1341927660.db2.gz HUJYFGPJCKIEGB-CYBMUJFWSA-N 1 2 343.254 3.247 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(OC)c(Cl)c2)C1 ZINC001033647943 1341927664 /nfs/dbraw/zinc/92/76/64/1341927664.db2.gz HUJYFGPJCKIEGB-CYBMUJFWSA-N 1 2 343.254 3.247 20 30 EGEDLO CCN(C(=O)c1ccco1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033726209 1341978307 /nfs/dbraw/zinc/97/83/07/1341978307.db2.gz OWIWWWCPGCTVER-INIZCTEOSA-N 1 2 341.386 3.027 20 30 EGEDLO CCN(C(=O)c1ccco1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033726209 1341978308 /nfs/dbraw/zinc/97/83/08/1341978308.db2.gz OWIWWWCPGCTVER-INIZCTEOSA-N 1 2 341.386 3.027 20 30 EGEDLO CCN(C(=O)c1ccoc1)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033750515 1341995052 /nfs/dbraw/zinc/99/50/52/1341995052.db2.gz TWHGXIGLRJIFEF-QGZVFWFLSA-N 1 2 341.386 3.027 20 30 EGEDLO CCN(C(=O)c1ccoc1)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033750515 1341995053 /nfs/dbraw/zinc/99/50/53/1341995053.db2.gz TWHGXIGLRJIFEF-QGZVFWFLSA-N 1 2 341.386 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3nc(C)oc3c2)C1 ZINC001033863479 1342050457 /nfs/dbraw/zinc/05/04/57/1342050457.db2.gz XHEGTROPKZXKGR-OAHLLOKOSA-N 1 2 347.846 3.425 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3nc(C)oc3c2)C1 ZINC001033863479 1342050460 /nfs/dbraw/zinc/05/04/60/1342050460.db2.gz XHEGTROPKZXKGR-OAHLLOKOSA-N 1 2 347.846 3.425 20 30 EGEDLO C=CCCC(=O)N1CC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001075094655 1356301205 /nfs/dbraw/zinc/30/12/05/1356301205.db2.gz BQDZGAJPLFZLRW-WBVHZDCISA-N 1 2 343.471 3.082 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc(C)cc3cn[nH]c32)C1 ZINC001033987581 1342131861 /nfs/dbraw/zinc/13/18/61/1342131861.db2.gz QWVUPAVOWNHHTD-HNNXBMFYSA-N 1 2 346.862 3.160 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C)cc3cn[nH]c32)C1 ZINC001033987581 1342131864 /nfs/dbraw/zinc/13/18/64/1342131864.db2.gz QWVUPAVOWNHHTD-HNNXBMFYSA-N 1 2 346.862 3.160 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC001033987581 1342131866 /nfs/dbraw/zinc/13/18/66/1342131866.db2.gz QWVUPAVOWNHHTD-HNNXBMFYSA-N 1 2 346.862 3.160 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC001033987581 1342131870 /nfs/dbraw/zinc/13/18/70/1342131870.db2.gz QWVUPAVOWNHHTD-HNNXBMFYSA-N 1 2 346.862 3.160 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001034099596 1342237174 /nfs/dbraw/zinc/23/71/74/1342237174.db2.gz DCILBBJTJSFJBR-GJZGRUSLSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC001034219920 1342324993 /nfs/dbraw/zinc/32/49/93/1342324993.db2.gz RIJYVFIWSMHBMV-CYBMUJFWSA-N 1 2 338.883 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC001034219920 1342324996 /nfs/dbraw/zinc/32/49/96/1342324996.db2.gz RIJYVFIWSMHBMV-CYBMUJFWSA-N 1 2 338.883 3.044 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cccc3c2O[C@@H](C)C3)C1 ZINC001034314544 1342393954 /nfs/dbraw/zinc/39/39/54/1342393954.db2.gz UKQIZSMCOIOVBU-GOEBONIOSA-N 1 2 348.874 3.347 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cccc3c2O[C@@H](C)C3)C1 ZINC001034314544 1342393957 /nfs/dbraw/zinc/39/39/57/1342393957.db2.gz UKQIZSMCOIOVBU-GOEBONIOSA-N 1 2 348.874 3.347 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@H+](Cc3cscn3)C2)CC1 ZINC001034382533 1342450971 /nfs/dbraw/zinc/45/09/71/1342450971.db2.gz RRTOUVAYYUOKNS-MRXNPFEDSA-N 1 2 333.501 3.360 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@@H+](Cc3cscn3)C2)CC1 ZINC001034382533 1342450972 /nfs/dbraw/zinc/45/09/72/1342450972.db2.gz RRTOUVAYYUOKNS-MRXNPFEDSA-N 1 2 333.501 3.360 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@H+](Cc3coc(C4CC4)n3)C2)C1 ZINC001034390021 1342459153 /nfs/dbraw/zinc/45/91/53/1342459153.db2.gz WXAMWZMXILHFGQ-MRXNPFEDSA-N 1 2 343.471 3.379 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@@H+](Cc3coc(C4CC4)n3)C2)C1 ZINC001034390021 1342459156 /nfs/dbraw/zinc/45/91/56/1342459156.db2.gz WXAMWZMXILHFGQ-MRXNPFEDSA-N 1 2 343.471 3.379 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ncoc2C(C)(C)C)C1 ZINC001034479092 1342534814 /nfs/dbraw/zinc/53/48/14/1342534814.db2.gz RGXAJIFEJZDWLG-ZDUSSCGKSA-N 1 2 339.867 3.309 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ncoc2C(C)(C)C)C1 ZINC001034479092 1342534815 /nfs/dbraw/zinc/53/48/15/1342534815.db2.gz RGXAJIFEJZDWLG-ZDUSSCGKSA-N 1 2 339.867 3.309 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2occ3c2CCCC3)C1 ZINC001034509088 1342568410 /nfs/dbraw/zinc/56/84/10/1342568410.db2.gz XVTHTLNBUFXRJV-OAHLLOKOSA-N 1 2 336.863 3.495 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2occ3c2CCCC3)C1 ZINC001034509088 1342568416 /nfs/dbraw/zinc/56/84/16/1342568416.db2.gz XVTHTLNBUFXRJV-OAHLLOKOSA-N 1 2 336.863 3.495 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC001034521631 1342579667 /nfs/dbraw/zinc/57/96/67/1342579667.db2.gz OMTIGQWBUXFNHJ-HNNXBMFYSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC001034521631 1342579668 /nfs/dbraw/zinc/57/96/68/1342579668.db2.gz OMTIGQWBUXFNHJ-HNNXBMFYSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001035585302 1343094290 /nfs/dbraw/zinc/09/42/90/1343094290.db2.gz CWTFMFPFVYEZKN-ZDUSSCGKSA-N 1 2 343.254 3.000 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001035585302 1343094295 /nfs/dbraw/zinc/09/42/95/1343094295.db2.gz CWTFMFPFVYEZKN-ZDUSSCGKSA-N 1 2 343.254 3.000 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC2(C[NH+](Cc3csc(C)n3)C2)CC1 ZINC001035784991 1343195636 /nfs/dbraw/zinc/19/56/36/1343195636.db2.gz NALCUGWNBOXNML-GOSISDBHSA-N 1 2 347.528 3.478 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC3(C[NH+](Cc4nc(C)c(C)o4)C3)CC2)C1 ZINC001035792408 1343202310 /nfs/dbraw/zinc/20/23/10/1343202310.db2.gz UUFRIUXMOHRUIT-UHFFFAOYSA-N 1 2 343.471 3.072 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C1(F)CCCCC1)CC2 ZINC001035827689 1343217064 /nfs/dbraw/zinc/21/70/64/1343217064.db2.gz BCGXLXSNDJDVDX-UHFFFAOYSA-N 1 2 328.859 3.336 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1nc(C)c(C)s1)CC2 ZINC001035852696 1343230653 /nfs/dbraw/zinc/23/06/53/1343230653.db2.gz KJZAWRVLVIVZJW-UHFFFAOYSA-N 1 2 339.892 3.050 20 30 EGEDLO C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038164883 1344307099 /nfs/dbraw/zinc/30/70/99/1344307099.db2.gz XCCGPPZORPYWSJ-MLGOLLRUSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038164883 1344307102 /nfs/dbraw/zinc/30/71/02/1344307102.db2.gz XCCGPPZORPYWSJ-MLGOLLRUSA-N 1 2 342.830 3.105 20 30 EGEDLO CC1=C(C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)CC1 ZINC001038290296 1344360988 /nfs/dbraw/zinc/36/09/88/1344360988.db2.gz VGICYGBHJVSMFZ-RTWAWAEBSA-N 1 2 336.479 3.365 20 30 EGEDLO CC1=C(C)C[C@H](C(=O)NC[C@@H]2CC[N@H+]2CC#Cc2ccccc2)CC1 ZINC001038290296 1344360989 /nfs/dbraw/zinc/36/09/89/1344360989.db2.gz VGICYGBHJVSMFZ-RTWAWAEBSA-N 1 2 336.479 3.365 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc3c(o2)CCCC3)cc1 ZINC001038333722 1344384836 /nfs/dbraw/zinc/38/48/36/1344384836.db2.gz XHKKAAHNQMVFNG-SFHVURJKSA-N 1 2 349.434 3.034 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc3c(o2)CCCC3)cc1 ZINC001038333722 1344384839 /nfs/dbraw/zinc/38/48/39/1344384839.db2.gz XHKKAAHNQMVFNG-SFHVURJKSA-N 1 2 349.434 3.034 20 30 EGEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1CCC=CCCC1 ZINC001038403878 1344414087 /nfs/dbraw/zinc/41/40/87/1344414087.db2.gz WFWQGZVODCUQJW-LEWJYISDSA-N 1 2 336.479 3.365 20 30 EGEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1CCC=CCCC1 ZINC001038403878 1344414088 /nfs/dbraw/zinc/41/40/88/1344414088.db2.gz WFWQGZVODCUQJW-LEWJYISDSA-N 1 2 336.479 3.365 20 30 EGEDLO Cc1oc(C)c(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)c1C ZINC001038484410 1344445984 /nfs/dbraw/zinc/44/59/84/1344445984.db2.gz JNUFEJONCFTTAR-GOSISDBHSA-N 1 2 337.423 3.081 20 30 EGEDLO Cc1oc(C)c(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)c1C ZINC001038484410 1344445991 /nfs/dbraw/zinc/44/59/91/1344445991.db2.gz JNUFEJONCFTTAR-GOSISDBHSA-N 1 2 337.423 3.081 20 30 EGEDLO CC1(C)CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)c(F)c2)C1 ZINC001038675001 1344536917 /nfs/dbraw/zinc/53/69/17/1344536917.db2.gz VCPOIVMWAAENSO-WBVHZDCISA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)c(F)c2)C1 ZINC001038675001 1344536919 /nfs/dbraw/zinc/53/69/19/1344536919.db2.gz VCPOIVMWAAENSO-WBVHZDCISA-N 1 2 343.446 3.214 20 30 EGEDLO Cc1ccc(C)c(C(=O)NC[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)c1 ZINC001038963275 1344685289 /nfs/dbraw/zinc/68/52/89/1344685289.db2.gz HNDWSUPGSKXUNM-FQEVSTJZSA-N 1 2 332.447 3.159 20 30 EGEDLO Cc1ccc(C)c(C(=O)NC[C@@H]2CC[N@H+]2CC#Cc2ccccc2)c1 ZINC001038963275 1344685291 /nfs/dbraw/zinc/68/52/91/1344685291.db2.gz HNDWSUPGSKXUNM-FQEVSTJZSA-N 1 2 332.447 3.159 20 30 EGEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1CC2CCC1CC2 ZINC001039048939 1344734215 /nfs/dbraw/zinc/73/42/15/1344734215.db2.gz LAKISQYBOYKSHJ-TZWRJOPASA-N 1 2 336.479 3.055 20 30 EGEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1CC2CCC1CC2 ZINC001039048939 1344734216 /nfs/dbraw/zinc/73/42/16/1344734216.db2.gz LAKISQYBOYKSHJ-TZWRJOPASA-N 1 2 336.479 3.055 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccc(CF)cc2)c1 ZINC001039066403 1344749140 /nfs/dbraw/zinc/74/91/40/1344749140.db2.gz GSGNFTGGTOPIKB-LJQANCHMSA-N 1 2 337.398 3.032 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccc(CF)cc2)c1 ZINC001039066403 1344749144 /nfs/dbraw/zinc/74/91/44/1344749144.db2.gz GSGNFTGGTOPIKB-LJQANCHMSA-N 1 2 337.398 3.032 20 30 EGEDLO CC(C)c1occc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001039068854 1344752382 /nfs/dbraw/zinc/75/23/82/1344752382.db2.gz WPFCELRDTFOSJT-KRWDZBQOSA-N 1 2 337.423 3.279 20 30 EGEDLO CC(C)c1occc1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001039068854 1344752383 /nfs/dbraw/zinc/75/23/83/1344752383.db2.gz WPFCELRDTFOSJT-KRWDZBQOSA-N 1 2 337.423 3.279 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccoc1Cl ZINC001039364354 1345029992 /nfs/dbraw/zinc/02/99/92/1345029992.db2.gz LXMVQKJHBRKHDI-NEPJUHHUSA-N 1 2 329.227 3.364 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccoc1Cl ZINC001039364354 1345029994 /nfs/dbraw/zinc/02/99/94/1345029994.db2.gz LXMVQKJHBRKHDI-NEPJUHHUSA-N 1 2 329.227 3.364 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)cc(C)nc1C ZINC001039407689 1345051853 /nfs/dbraw/zinc/05/18/53/1345051853.db2.gz CWTNVHFIGXCLHV-SJORKVTESA-N 1 2 347.890 3.438 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)cc(C)nc1C ZINC001039407689 1345051855 /nfs/dbraw/zinc/05/18/55/1345051855.db2.gz CWTNVHFIGXCLHV-SJORKVTESA-N 1 2 347.890 3.438 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(CC)CC1 ZINC001039431607 1345064961 /nfs/dbraw/zinc/06/49/61/1345064961.db2.gz LKHRFOBTCXQHPK-KGLIPLIRSA-N 1 2 341.293 3.151 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(CC)CC1 ZINC001039431607 1345064963 /nfs/dbraw/zinc/06/49/63/1345064963.db2.gz LKHRFOBTCXQHPK-KGLIPLIRSA-N 1 2 341.293 3.151 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)cc1F ZINC001039465391 1345083032 /nfs/dbraw/zinc/08/30/32/1345083032.db2.gz DGEVJPUTZHXQJV-KGLIPLIRSA-N 1 2 340.801 3.396 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)cc1F ZINC001039465391 1345083034 /nfs/dbraw/zinc/08/30/34/1345083034.db2.gz DGEVJPUTZHXQJV-KGLIPLIRSA-N 1 2 340.801 3.396 20 30 EGEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H](C)c1cccc(F)c1 ZINC001039528494 1345130996 /nfs/dbraw/zinc/13/09/96/1345130996.db2.gz OALHGDXYKPKAMG-DFEHZGFQSA-N 1 2 329.419 3.112 20 30 EGEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H](C)c1cccc(F)c1 ZINC001039528494 1345130998 /nfs/dbraw/zinc/13/09/98/1345130998.db2.gz OALHGDXYKPKAMG-DFEHZGFQSA-N 1 2 329.419 3.112 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001039923959 1345246240 /nfs/dbraw/zinc/24/62/40/1345246240.db2.gz MGSBMWMIHKCIGX-YSTOQKLRSA-N 1 2 337.467 3.170 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001039923959 1345246243 /nfs/dbraw/zinc/24/62/43/1345246243.db2.gz MGSBMWMIHKCIGX-YSTOQKLRSA-N 1 2 337.467 3.170 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1cccs1 ZINC001079376611 1357239770 /nfs/dbraw/zinc/23/97/70/1357239770.db2.gz CRJVXNTZQFTVFC-MLGOLLRUSA-N 1 2 343.427 3.009 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1cccs1 ZINC001079376611 1357239773 /nfs/dbraw/zinc/23/97/73/1357239773.db2.gz CRJVXNTZQFTVFC-MLGOLLRUSA-N 1 2 343.427 3.009 20 30 EGEDLO O=C(C#CC1CC1)N1CC[C@]2(C1)CCC[N@@H+](C/C(Cl)=C/Cl)C2 ZINC001040199062 1345373000 /nfs/dbraw/zinc/37/30/00/1345373000.db2.gz YLBYQTBDCULANC-XBNGYDHASA-N 1 2 341.282 3.033 20 30 EGEDLO O=C(C#CC1CC1)N1CC[C@]2(C1)CCC[N@H+](C/C(Cl)=C/Cl)C2 ZINC001040199062 1345373004 /nfs/dbraw/zinc/37/30/04/1345373004.db2.gz YLBYQTBDCULANC-XBNGYDHASA-N 1 2 341.282 3.033 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)CC)C[C@H]21 ZINC001042207164 1345985336 /nfs/dbraw/zinc/98/53/36/1345985336.db2.gz MSIKOILPMNDTMS-ZIAGYGMSSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)CC)C[C@H]21 ZINC001042207164 1345985337 /nfs/dbraw/zinc/98/53/37/1345985337.db2.gz MSIKOILPMNDTMS-ZIAGYGMSSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3occc3Cl)C[C@H]21 ZINC001042222492 1345993617 /nfs/dbraw/zinc/99/36/17/1345993617.db2.gz UVYMSDDGVZIHRP-WCQYABFASA-N 1 2 329.227 3.222 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3occc3Cl)C[C@H]21 ZINC001042222492 1345993620 /nfs/dbraw/zinc/99/36/20/1345993620.db2.gz UVYMSDDGVZIHRP-WCQYABFASA-N 1 2 329.227 3.222 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3scnc3Cl)C[C@@H]21 ZINC001042360231 1346054650 /nfs/dbraw/zinc/05/46/50/1346054650.db2.gz PRFSBCGTCCWUKT-MNOVXSKESA-N 1 2 346.283 3.085 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3scnc3Cl)C[C@@H]21 ZINC001042360231 1346054653 /nfs/dbraw/zinc/05/46/53/1346054653.db2.gz PRFSBCGTCCWUKT-MNOVXSKESA-N 1 2 346.283 3.085 20 30 EGEDLO C=C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001043214944 1346153296 /nfs/dbraw/zinc/15/32/96/1346153296.db2.gz XNKTZNMEANDKHW-ZTFGCOKTSA-N 1 2 336.439 3.014 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](CCOc3cccc(Cl)c3)C2)C1 ZINC001043810479 1346212368 /nfs/dbraw/zinc/21/23/68/1346212368.db2.gz JJOJORATZSKHDD-UHFFFAOYSA-N 1 2 348.874 3.218 20 30 EGEDLO C=C1CCC(C(=O)NC2(C)CC[NH+](Cc3cscn3)CC2)CC1 ZINC001045546347 1346625982 /nfs/dbraw/zinc/62/59/82/1346625982.db2.gz RFQDPKWMFAJJJS-UHFFFAOYSA-N 1 2 333.501 3.360 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)on1 ZINC001045839998 1346715741 /nfs/dbraw/zinc/71/57/41/1346715741.db2.gz AFIIOUJBABRFFL-ZIFCJYIRSA-N 1 2 331.460 3.151 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)on1 ZINC001045839998 1346715744 /nfs/dbraw/zinc/71/57/44/1346715744.db2.gz AFIIOUJBABRFFL-ZIFCJYIRSA-N 1 2 331.460 3.151 20 30 EGEDLO C[C@@]1(NC(=O)c2ccccc2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046112890 1346851655 /nfs/dbraw/zinc/85/16/55/1346851655.db2.gz XRFTXWVWQMXFAW-HXUWFJFHSA-N 1 2 337.398 3.092 20 30 EGEDLO C[C@@]1(NC(=O)c2ccccc2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046112890 1346851659 /nfs/dbraw/zinc/85/16/59/1346851659.db2.gz XRFTXWVWQMXFAW-HXUWFJFHSA-N 1 2 337.398 3.092 20 30 EGEDLO C[C@]1(NC(=O)C2=CCCC2)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001046240040 1346905351 /nfs/dbraw/zinc/90/53/51/1346905351.db2.gz OOJZHIQOIFFGIC-FQEVSTJZSA-N 1 2 342.870 3.382 20 30 EGEDLO C[C@]1(NC(=O)C2=CCCC2)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001046240040 1346905354 /nfs/dbraw/zinc/90/53/54/1346905354.db2.gz OOJZHIQOIFFGIC-FQEVSTJZSA-N 1 2 342.870 3.382 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2sccc2C)C1 ZINC001046314952 1346931158 /nfs/dbraw/zinc/93/11/58/1346931158.db2.gz GICAPYAMXXOJJK-CPUCHLNUSA-N 1 2 338.904 3.493 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2sccc2C)C1 ZINC001046314952 1346931160 /nfs/dbraw/zinc/93/11/60/1346931160.db2.gz GICAPYAMXXOJJK-CPUCHLNUSA-N 1 2 338.904 3.493 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cccc3scnc32)C1 ZINC001046314595 1346931516 /nfs/dbraw/zinc/93/15/16/1346931516.db2.gz DOLWWCDBDMLUDP-MRXNPFEDSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cccc3scnc32)C1 ZINC001046314595 1346931517 /nfs/dbraw/zinc/93/15/17/1346931517.db2.gz DOLWWCDBDMLUDP-MRXNPFEDSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc3ccccc3nc2C)C1 ZINC001046351619 1346945843 /nfs/dbraw/zinc/94/58/43/1346945843.db2.gz PSUGOFNXALQGLO-IBGZPJMESA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc3ccccc3nc2C)C1 ZINC001046351619 1346945845 /nfs/dbraw/zinc/94/58/45/1346945845.db2.gz PSUGOFNXALQGLO-IBGZPJMESA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccnc(-c3ccco3)c2)C1 ZINC001046404614 1346962292 /nfs/dbraw/zinc/96/22/92/1346962292.db2.gz DYIFYFUZJVVMAN-GOSISDBHSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccnc(-c3ccco3)c2)C1 ZINC001046404614 1346962294 /nfs/dbraw/zinc/96/22/94/1346962294.db2.gz DYIFYFUZJVVMAN-GOSISDBHSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC001046523272 1347003564 /nfs/dbraw/zinc/00/35/64/1347003564.db2.gz BXAATAYBCAUQEQ-CQSZACIVSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC001046523272 1347003566 /nfs/dbraw/zinc/00/35/66/1347003566.db2.gz BXAATAYBCAUQEQ-CQSZACIVSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001046645740 1347047384 /nfs/dbraw/zinc/04/73/84/1347047384.db2.gz GFPSCFNKYNQUKD-HNNXBMFYSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001046645740 1347047386 /nfs/dbraw/zinc/04/73/86/1347047386.db2.gz GFPSCFNKYNQUKD-HNNXBMFYSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cccc(F)c2Cl)C1 ZINC001046655689 1347051209 /nfs/dbraw/zinc/05/12/09/1347051209.db2.gz JJANMCLXGZARFN-HNNXBMFYSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cccc(F)c2Cl)C1 ZINC001046655689 1347051211 /nfs/dbraw/zinc/05/12/11/1347051211.db2.gz JJANMCLXGZARFN-HNNXBMFYSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(C)nc3ccccc32)C1 ZINC001046821322 1347119130 /nfs/dbraw/zinc/11/91/30/1347119130.db2.gz URGLQTQFPYHXKG-LJQANCHMSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C)nc3ccccc32)C1 ZINC001046821322 1347119131 /nfs/dbraw/zinc/11/91/31/1347119131.db2.gz URGLQTQFPYHXKG-LJQANCHMSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(OCC3CC3)cc2)C1 ZINC001046847858 1347128529 /nfs/dbraw/zinc/12/85/29/1347128529.db2.gz IQVXWKITLBKORG-IBGZPJMESA-N 1 2 348.874 3.422 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(OCC3CC3)cc2)C1 ZINC001046847858 1347128531 /nfs/dbraw/zinc/12/85/31/1347128531.db2.gz IQVXWKITLBKORG-IBGZPJMESA-N 1 2 348.874 3.422 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C2C=CC=CC=C2)C1 ZINC001046946266 1347160107 /nfs/dbraw/zinc/16/01/07/1347160107.db2.gz VBOPYCKTMHZSPS-HNNXBMFYSA-N 1 2 342.817 3.111 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2C=CC=CC=C2)C1 ZINC001046946266 1347160110 /nfs/dbraw/zinc/16/01/10/1347160110.db2.gz VBOPYCKTMHZSPS-HNNXBMFYSA-N 1 2 342.817 3.111 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001046958494 1347165050 /nfs/dbraw/zinc/16/50/50/1347165050.db2.gz ZEOUKDLSGWEDHX-BFHYXJOUSA-N 1 2 348.865 3.495 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001046958494 1347165051 /nfs/dbraw/zinc/16/50/51/1347165051.db2.gz ZEOUKDLSGWEDHX-BFHYXJOUSA-N 1 2 348.865 3.495 20 30 EGEDLO CCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001049280236 1347767438 /nfs/dbraw/zinc/76/74/38/1347767438.db2.gz SLQZNKVSAVYMNJ-MSOLQXFVSA-N 1 2 329.419 3.063 20 30 EGEDLO CCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001049280236 1347767439 /nfs/dbraw/zinc/76/74/39/1347767439.db2.gz SLQZNKVSAVYMNJ-MSOLQXFVSA-N 1 2 329.419 3.063 20 30 EGEDLO CC[C@H](C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001049346179 1347799707 /nfs/dbraw/zinc/79/97/07/1347799707.db2.gz XOCSGTQTJGZMGM-KYNGSXCRSA-N 1 2 343.446 3.309 20 30 EGEDLO CC[C@H](C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001049346179 1347799708 /nfs/dbraw/zinc/79/97/08/1347799708.db2.gz XOCSGTQTJGZMGM-KYNGSXCRSA-N 1 2 343.446 3.309 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3nccc(C)c3c2)C1 ZINC001079765780 1357374105 /nfs/dbraw/zinc/37/41/05/1357374105.db2.gz HINVYZCVYQFENT-FZKQIMNGSA-N 1 2 343.858 3.346 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3nccc(C)c3c2)C1 ZINC001079765780 1357374108 /nfs/dbraw/zinc/37/41/08/1357374108.db2.gz HINVYZCVYQFENT-FZKQIMNGSA-N 1 2 343.858 3.346 20 30 EGEDLO C/C=C(/C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001049405545 1347828519 /nfs/dbraw/zinc/82/85/19/1347828519.db2.gz HRCZKEWGSLZZCB-JKDMTXTJSA-N 1 2 341.430 3.229 20 30 EGEDLO C/C=C(/C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001049405545 1347828524 /nfs/dbraw/zinc/82/85/24/1347828524.db2.gz HRCZKEWGSLZZCB-JKDMTXTJSA-N 1 2 341.430 3.229 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1conc1C(C)C ZINC001049516611 1347887962 /nfs/dbraw/zinc/88/79/62/1347887962.db2.gz DQQOLZIMEXXJME-GJZGRUSLSA-N 1 2 337.851 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1conc1C(C)C ZINC001049516611 1347887966 /nfs/dbraw/zinc/88/79/66/1347887966.db2.gz DQQOLZIMEXXJME-GJZGRUSLSA-N 1 2 337.851 3.229 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(C)on1 ZINC001049635465 1347946324 /nfs/dbraw/zinc/94/63/24/1347946324.db2.gz VCEWPAPXASXRBJ-IRXDYDNUSA-N 1 2 331.460 3.151 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(C)on1 ZINC001049635465 1347946327 /nfs/dbraw/zinc/94/63/27/1347946327.db2.gz VCEWPAPXASXRBJ-IRXDYDNUSA-N 1 2 331.460 3.151 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1nccn1CC ZINC001049689817 1347973274 /nfs/dbraw/zinc/97/32/74/1347973274.db2.gz BMFHSNUVHLMQJU-ABSDTBQOSA-N 1 2 344.503 3.071 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1nccn1CC ZINC001049689817 1347973275 /nfs/dbraw/zinc/97/32/75/1347973275.db2.gz BMFHSNUVHLMQJU-ABSDTBQOSA-N 1 2 344.503 3.071 20 30 EGEDLO C[C@@H]1C[C@H]1C(=O)NCc1ccccc1C[N@H+](C)Cc1ccccc1C#N ZINC001050242085 1348215598 /nfs/dbraw/zinc/21/55/98/1348215598.db2.gz NLAAQVAKNVIOSU-IIBYNOLFSA-N 1 2 347.462 3.462 20 30 EGEDLO C[C@@H]1C[C@H]1C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccccc1C#N ZINC001050242085 1348215600 /nfs/dbraw/zinc/21/56/00/1348215600.db2.gz NLAAQVAKNVIOSU-IIBYNOLFSA-N 1 2 347.462 3.462 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1)CCO2 ZINC001053473011 1349039938 /nfs/dbraw/zinc/03/99/38/1349039938.db2.gz UESQLRVXYXYIOJ-MSOLQXFVSA-N 1 2 348.531 3.328 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C)ccc1C1CC1)O2 ZINC001053639450 1349082991 /nfs/dbraw/zinc/08/29/91/1349082991.db2.gz QMPJDRXERIOWFB-QGZVFWFLSA-N 1 2 340.467 3.022 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(Cl)c(C)c1)O2 ZINC001053658432 1349088009 /nfs/dbraw/zinc/08/80/09/1349088009.db2.gz ZIVYOJUEJWRZIC-INIZCTEOSA-N 1 2 348.874 3.188 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc([C@@H](C)CC)cc1)O2 ZINC001053701251 1349098633 /nfs/dbraw/zinc/09/86/33/1349098633.db2.gz QDGMGQYCIODZDV-LPHOPBHVSA-N 1 2 342.483 3.349 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccccc1CC(C)C)O2 ZINC001053701173 1349098649 /nfs/dbraw/zinc/09/86/49/1349098649.db2.gz OAMSVHKLVLNMHM-SFHVURJKSA-N 1 2 342.483 3.034 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2COC3(C[NH+]([C@@H](C)c4ccccc4)C3)C2)C1 ZINC001053917110 1349123790 /nfs/dbraw/zinc/12/37/90/1349123790.db2.gz ZZRJIWPFCYUKKO-WMZOPIPTSA-N 1 2 340.467 3.063 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc(C3CCC3)c1)CO2 ZINC001053981664 1349127739 /nfs/dbraw/zinc/12/77/39/1349127739.db2.gz RRMLWIABINZUSV-LJQANCHMSA-N 1 2 340.467 3.103 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(CCC)c(C)s1)CO2 ZINC001054002744 1349130547 /nfs/dbraw/zinc/13/05/47/1349130547.db2.gz GPBSBMVORCXOPI-INIZCTEOSA-N 1 2 348.512 3.158 20 30 EGEDLO C=C(C)C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1scnc1C ZINC001054034227 1349132086 /nfs/dbraw/zinc/13/20/86/1349132086.db2.gz KGBUGCWDECUJPR-QGZVFWFLSA-N 1 2 341.480 3.184 20 30 EGEDLO C=C(C)C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1scnc1C ZINC001054034227 1349132087 /nfs/dbraw/zinc/13/20/87/1349132087.db2.gz KGBUGCWDECUJPR-QGZVFWFLSA-N 1 2 341.480 3.184 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001054041133 1349136797 /nfs/dbraw/zinc/13/67/97/1349136797.db2.gz HYBYVAUMEUVKTQ-QUCCMNQESA-N 1 2 336.479 3.133 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001054041133 1349136798 /nfs/dbraw/zinc/13/67/98/1349136798.db2.gz HYBYVAUMEUVKTQ-QUCCMNQESA-N 1 2 336.479 3.133 20 30 EGEDLO C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(OC)cs1 ZINC001054048719 1349138526 /nfs/dbraw/zinc/13/85/26/1349138526.db2.gz HCDMHONPQJONCW-MRXNPFEDSA-N 1 2 342.464 3.099 20 30 EGEDLO C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(OC)cs1 ZINC001054048719 1349138527 /nfs/dbraw/zinc/13/85/27/1349138527.db2.gz HCDMHONPQJONCW-MRXNPFEDSA-N 1 2 342.464 3.099 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C)ccc1C ZINC001054059094 1349141128 /nfs/dbraw/zinc/14/11/28/1349141128.db2.gz GMPCFOATOMEDTI-HXUWFJFHSA-N 1 2 332.447 3.093 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C)ccc1C ZINC001054059094 1349141131 /nfs/dbraw/zinc/14/11/31/1349141131.db2.gz GMPCFOATOMEDTI-HXUWFJFHSA-N 1 2 332.447 3.093 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3nccc4ccsc43)cc2C1 ZINC001054268973 1349268053 /nfs/dbraw/zinc/26/80/53/1349268053.db2.gz FDRVFEKSLKWDND-UHFFFAOYSA-N 1 2 347.443 3.175 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3nccc4ccsc43)cc2C1 ZINC001054268973 1349268057 /nfs/dbraw/zinc/26/80/57/1349268057.db2.gz FDRVFEKSLKWDND-UHFFFAOYSA-N 1 2 347.443 3.175 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[C@H]3C3CC3)cc2C1 ZINC001054275437 1349276107 /nfs/dbraw/zinc/27/61/07/1349276107.db2.gz QIDUNCZVLMHQDI-SFTDATJTSA-N 1 2 336.479 3.468 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[C@H]3C3CC3)cc2C1 ZINC001054275437 1349276110 /nfs/dbraw/zinc/27/61/10/1349276110.db2.gz QIDUNCZVLMHQDI-SFTDATJTSA-N 1 2 336.479 3.468 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc(C(C)C)nc3C)cc2C1 ZINC001054281681 1349283043 /nfs/dbraw/zinc/28/30/43/1349283043.db2.gz WFSFHZUPXYZWNE-UHFFFAOYSA-N 1 2 347.462 3.392 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc(C(C)C)nc3C)cc2C1 ZINC001054281681 1349283045 /nfs/dbraw/zinc/28/30/45/1349283045.db2.gz WFSFHZUPXYZWNE-UHFFFAOYSA-N 1 2 347.462 3.392 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)C3CCC(F)(F)CC3)cc2C1 ZINC001054283772 1349285098 /nfs/dbraw/zinc/28/50/98/1349285098.db2.gz PTGFABCLUKPRPW-UHFFFAOYSA-N 1 2 332.394 3.077 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)C3CCC(F)(F)CC3)cc2C1 ZINC001054283772 1349285103 /nfs/dbraw/zinc/28/51/03/1349285103.db2.gz PTGFABCLUKPRPW-UHFFFAOYSA-N 1 2 332.394 3.077 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3scnc3C(C)C)cc2C1 ZINC001054284729 1349285778 /nfs/dbraw/zinc/28/57/78/1349285778.db2.gz FKUVSZPNGSNKQC-UHFFFAOYSA-N 1 2 339.464 3.145 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3scnc3C(C)C)cc2C1 ZINC001054284729 1349285781 /nfs/dbraw/zinc/28/57/81/1349285781.db2.gz FKUVSZPNGSNKQC-UHFFFAOYSA-N 1 2 339.464 3.145 20 30 EGEDLO C=CCC[N@@H+]1Cc2ccc(CNC(=O)c3cccc4nc[nH]c43)cc2C1 ZINC001054287652 1349290133 /nfs/dbraw/zinc/29/01/33/1349290133.db2.gz UZNGNTKZMWDRLT-UHFFFAOYSA-N 1 2 346.434 3.385 20 30 EGEDLO C=CCC[N@H+]1Cc2ccc(CNC(=O)c3cccc4nc[nH]c43)cc2C1 ZINC001054287652 1349290134 /nfs/dbraw/zinc/29/01/34/1349290134.db2.gz UZNGNTKZMWDRLT-UHFFFAOYSA-N 1 2 346.434 3.385 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001057205125 1349997552 /nfs/dbraw/zinc/99/75/52/1349997552.db2.gz ZZBWWLOTLWANPC-UHFFFAOYSA-N 1 2 330.476 3.159 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2c(F)cccc2F)C1 ZINC001080135040 1357496688 /nfs/dbraw/zinc/49/66/88/1357496688.db2.gz NFPFBKIUJFTNNN-IXPVHAAZSA-N 1 2 342.817 3.257 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2c(F)cccc2F)C1 ZINC001080135040 1357496690 /nfs/dbraw/zinc/49/66/90/1357496690.db2.gz NFPFBKIUJFTNNN-IXPVHAAZSA-N 1 2 342.817 3.257 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](CN(C)c2cc[nH+]c(C)n2)C1 ZINC001058703446 1350290190 /nfs/dbraw/zinc/29/01/90/1350290190.db2.gz SVJFTNPQLTXZFD-LPHOPBHVSA-N 1 2 330.476 3.062 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001080202820 1357520361 /nfs/dbraw/zinc/52/03/61/1357520361.db2.gz RUXFIQCZRVCMLE-BXUZGUMPSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001080202820 1357520364 /nfs/dbraw/zinc/52/03/64/1357520364.db2.gz RUXFIQCZRVCMLE-BXUZGUMPSA-N 1 2 343.309 3.158 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC=C(Cl)Cl)C[C@H]2C)cc1 ZINC001080244805 1357535857 /nfs/dbraw/zinc/53/58/57/1357535857.db2.gz NFGGJHQDUGYVDM-IUODEOHRSA-N 1 2 337.250 3.037 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC=C(Cl)Cl)C[C@H]2C)cc1 ZINC001080244805 1357535860 /nfs/dbraw/zinc/53/58/60/1357535860.db2.gz NFGGJHQDUGYVDM-IUODEOHRSA-N 1 2 337.250 3.037 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001061243326 1351326094 /nfs/dbraw/zinc/32/60/94/1351326094.db2.gz BZPLQNXEUIDFDL-MRXNPFEDSA-N 1 2 342.487 3.302 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC([C@@H](C)Nc3cc[nH+]c(C)n3)CC2)C1 ZINC001061880698 1351388421 /nfs/dbraw/zinc/38/84/21/1351388421.db2.gz ASKPKMOJZHHSIX-CQSZACIVSA-N 1 2 328.460 3.180 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]c(CC)n1 ZINC001062022418 1351427341 /nfs/dbraw/zinc/42/73/41/1351427341.db2.gz QRIQPNDCKNESEK-GQIGUUNPSA-N 1 2 342.487 3.129 20 30 EGEDLO Cc1cc(N[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC001064769065 1352688425 /nfs/dbraw/zinc/68/84/25/1352688425.db2.gz LAVFDRWCLUKSTO-DOTOQJQBSA-N 1 2 340.471 3.113 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3nc(C)ccc3c2)C1 ZINC001080653740 1357716528 /nfs/dbraw/zinc/71/65/28/1357716528.db2.gz MPAFJVUCHUCRRA-KZULUSFZSA-N 1 2 343.858 3.346 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3nc(C)ccc3c2)C1 ZINC001080653740 1357716532 /nfs/dbraw/zinc/71/65/32/1357716532.db2.gz MPAFJVUCHUCRRA-KZULUSFZSA-N 1 2 343.858 3.346 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084706239 1358288101 /nfs/dbraw/zinc/28/81/01/1358288101.db2.gz MUXARCTZUJMZCM-ZJPYXAASSA-N 1 2 330.859 3.075 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084706239 1358288106 /nfs/dbraw/zinc/28/81/06/1358288106.db2.gz MUXARCTZUJMZCM-ZJPYXAASSA-N 1 2 330.859 3.075 20 30 EGEDLO Cc1ccccc1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N ZINC001085464877 1358520130 /nfs/dbraw/zinc/52/01/30/1358520130.db2.gz OIVUHANKPVCHGN-IBGZPJMESA-N 1 2 333.435 3.213 20 30 EGEDLO Cc1ccccc1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccccc1C#N ZINC001085464877 1358520131 /nfs/dbraw/zinc/52/01/31/1358520131.db2.gz OIVUHANKPVCHGN-IBGZPJMESA-N 1 2 333.435 3.213 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1)C(=O)[C@@H]1CC1(C)C ZINC001085552634 1358587945 /nfs/dbraw/zinc/58/79/45/1358587945.db2.gz JFNRGAMFHYZDBD-MSOLQXFVSA-N 1 2 344.886 3.270 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1)C(=O)[C@@H]1CC1(C)C ZINC001085552634 1358587947 /nfs/dbraw/zinc/58/79/47/1358587947.db2.gz JFNRGAMFHYZDBD-MSOLQXFVSA-N 1 2 344.886 3.270 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)C1(C)CCCC1)C[C@H](C)O2 ZINC001071194600 1354496918 /nfs/dbraw/zinc/49/69/18/1354496918.db2.gz LKYMNOUICLUSSM-YJBOKZPZSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C1(C)CCCC1)C[C@H](C)O2 ZINC001071194600 1354496921 /nfs/dbraw/zinc/49/69/21/1354496921.db2.gz LKYMNOUICLUSSM-YJBOKZPZSA-N 1 2 340.895 3.011 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C2CC2)C[N@@H+]1CC#Cc1ccccc1Cl ZINC001071296946 1354549292 /nfs/dbraw/zinc/54/92/92/1354549292.db2.gz ORMDGUSPQUTDKQ-YOEHRIQHSA-N 1 2 330.859 3.071 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C2CC2)C[N@H+]1CC#Cc1ccccc1Cl ZINC001071296946 1354549301 /nfs/dbraw/zinc/54/93/01/1354549301.db2.gz ORMDGUSPQUTDKQ-YOEHRIQHSA-N 1 2 330.859 3.071 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2[nH]cnc2C(C)(C)C)CC[C@H]1C ZINC001071519079 1354740543 /nfs/dbraw/zinc/74/05/43/1354740543.db2.gz VEHKXUMRPRBLMX-CHWSQXEVSA-N 1 2 338.883 3.042 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2[nH]cnc2C(C)(C)C)CC[C@H]1C ZINC001071519079 1354740548 /nfs/dbraw/zinc/74/05/48/1354740548.db2.gz VEHKXUMRPRBLMX-CHWSQXEVSA-N 1 2 338.883 3.042 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2noc3ccccc23)CC[C@@H]1C ZINC001071662328 1354833774 /nfs/dbraw/zinc/83/37/74/1354833774.db2.gz CCGBSHRNTWKDHL-UONOGXRCSA-N 1 2 347.846 3.092 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2noc3ccccc23)CC[C@@H]1C ZINC001071662328 1354833776 /nfs/dbraw/zinc/83/37/76/1354833776.db2.gz CCGBSHRNTWKDHL-UONOGXRCSA-N 1 2 347.846 3.092 20 30 EGEDLO Cc1cocc1C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001071743534 1354895118 /nfs/dbraw/zinc/89/51/18/1354895118.db2.gz ACNAUUPJYYBVBA-YJBOKZPZSA-N 1 2 337.423 3.243 20 30 EGEDLO Cc1cocc1C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001071743534 1354895123 /nfs/dbraw/zinc/89/51/23/1354895123.db2.gz ACNAUUPJYYBVBA-YJBOKZPZSA-N 1 2 337.423 3.243 20 30 EGEDLO Cc1ncccc1C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001071784078 1354932364 /nfs/dbraw/zinc/93/23/64/1354932364.db2.gz YIFZEXGKCLGCIK-KXBFYZLASA-N 1 2 348.450 3.045 20 30 EGEDLO Cc1ncccc1C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001071784078 1354932366 /nfs/dbraw/zinc/93/23/66/1354932366.db2.gz YIFZEXGKCLGCIK-KXBFYZLASA-N 1 2 348.450 3.045 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3cc(C)on3)C2)CC1 ZINC001071789894 1354935832 /nfs/dbraw/zinc/93/58/32/1354935832.db2.gz ZWTUTFJWWTWFCY-YOEHRIQHSA-N 1 2 331.460 3.199 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3cc(C)on3)C2)CC1 ZINC001071789894 1354935835 /nfs/dbraw/zinc/93/58/35/1354935835.db2.gz ZWTUTFJWWTWFCY-YOEHRIQHSA-N 1 2 331.460 3.199 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3nc(C)cs3)C2)C1 ZINC001071802676 1354945611 /nfs/dbraw/zinc/94/56/11/1354945611.db2.gz ALSJNXBGTBFCNN-GJZGRUSLSA-N 1 2 333.501 3.277 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3nc(C)cs3)C2)C1 ZINC001071802676 1354945613 /nfs/dbraw/zinc/94/56/13/1354945613.db2.gz ALSJNXBGTBFCNN-GJZGRUSLSA-N 1 2 333.501 3.277 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3ccn(C(C)C)n3)C2)C1 ZINC001071804292 1354947460 /nfs/dbraw/zinc/94/74/60/1354947460.db2.gz ZRGCPFFPDHQSQX-IAGOWNOFSA-N 1 2 344.503 3.289 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3ccn(C(C)C)n3)C2)C1 ZINC001071804292 1354947468 /nfs/dbraw/zinc/94/74/68/1354947468.db2.gz ZRGCPFFPDHQSQX-IAGOWNOFSA-N 1 2 344.503 3.289 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cccc(OC)c2C)CC[C@@H]1C ZINC001071855462 1354984280 /nfs/dbraw/zinc/98/42/80/1354984280.db2.gz PZPPKNNICUHQPB-ZFWWWQNUSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cccc(OC)c2C)CC[C@@H]1C ZINC001071855462 1354984281 /nfs/dbraw/zinc/98/42/81/1354984281.db2.gz PZPPKNNICUHQPB-ZFWWWQNUSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc3[nH]c(C)nc3c2)CC[C@H]1C ZINC001071937692 1355034333 /nfs/dbraw/zinc/03/43/33/1355034333.db2.gz GBEXTYRISYXTDU-IUODEOHRSA-N 1 2 346.862 3.207 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc3[nH]c(C)nc3c2)CC[C@H]1C ZINC001071937692 1355034338 /nfs/dbraw/zinc/03/43/38/1355034338.db2.gz GBEXTYRISYXTDU-IUODEOHRSA-N 1 2 346.862 3.207 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc3c([nH]2)CCCC3)CC[C@@H]1C ZINC001071970155 1355051418 /nfs/dbraw/zinc/05/14/18/1355051418.db2.gz CYTKEDMUUROLMT-DZGCQCFKSA-N 1 2 335.879 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc3c([nH]2)CCCC3)CC[C@@H]1C ZINC001071970155 1355051421 /nfs/dbraw/zinc/05/14/21/1355051421.db2.gz CYTKEDMUUROLMT-DZGCQCFKSA-N 1 2 335.879 3.229 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc(Cl)cn2)CC[C@@H]1C ZINC001072009313 1355073312 /nfs/dbraw/zinc/07/33/12/1355073312.db2.gz UOXDRTBRWZPBQW-WCQYABFASA-N 1 2 328.243 3.070 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc(Cl)cn2)CC[C@@H]1C ZINC001072009313 1355073315 /nfs/dbraw/zinc/07/33/15/1355073315.db2.gz UOXDRTBRWZPBQW-WCQYABFASA-N 1 2 328.243 3.070 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccccc2OCC)CC[C@H]1C ZINC001072036252 1355093022 /nfs/dbraw/zinc/09/30/22/1355093022.db2.gz AKPFUDAFKHFTKR-CABCVRRESA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccccc2OCC)CC[C@H]1C ZINC001072036252 1355093026 /nfs/dbraw/zinc/09/30/26/1355093026.db2.gz AKPFUDAFKHFTKR-CABCVRRESA-N 1 2 336.863 3.421 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001094712915 1361898183 /nfs/dbraw/zinc/89/81/83/1361898183.db2.gz NONIOOZVMBWTGW-UONOGXRCSA-N 1 2 330.476 3.040 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001073651876 1355853861 /nfs/dbraw/zinc/85/38/61/1355853861.db2.gz JERIVFZVUINVNF-SJORKVTESA-N 1 2 340.895 3.083 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001073651876 1355853865 /nfs/dbraw/zinc/85/38/65/1355853865.db2.gz JERIVFZVUINVNF-SJORKVTESA-N 1 2 340.895 3.083 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3c(C)cc(C)cc3C)C[C@H]21 ZINC001074399749 1356194978 /nfs/dbraw/zinc/19/49/78/1356194978.db2.gz JMFLMFAHUKHHGF-MOPGFXCFSA-N 1 2 342.483 3.103 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3c(C)cc(C)cc3C)C[C@H]21 ZINC001074399749 1356194981 /nfs/dbraw/zinc/19/49/81/1356194981.db2.gz JMFLMFAHUKHHGF-MOPGFXCFSA-N 1 2 342.483 3.103 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CCC(C)(C)CC3)C[C@@H]21 ZINC001074415875 1356197653 /nfs/dbraw/zinc/19/76/53/1356197653.db2.gz XWPDHKJQKLGROH-ZWKOTPCHSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C3CCC(C)(C)CC3)C[C@@H]21 ZINC001074415875 1356197654 /nfs/dbraw/zinc/19/76/54/1356197654.db2.gz XWPDHKJQKLGROH-ZWKOTPCHSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4cc(C)cn4c3)[C@@H]2C1 ZINC001075867925 1356435197 /nfs/dbraw/zinc/43/51/97/1356435197.db2.gz OPRAXSKKEZKKLG-MAUKXSAKSA-N 1 2 343.858 3.147 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4cc(C)cn4c3)[C@@H]2C1 ZINC001075867925 1356435199 /nfs/dbraw/zinc/43/51/99/1356435199.db2.gz OPRAXSKKEZKKLG-MAUKXSAKSA-N 1 2 343.858 3.147 20 30 EGEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)c(C)o1 ZINC001084181734 1358155913 /nfs/dbraw/zinc/15/59/13/1358155913.db2.gz ABFPOMMWGKMCLS-TZIWHRDSSA-N 1 2 348.446 3.094 20 30 EGEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)c(C)o1 ZINC001084181734 1358155915 /nfs/dbraw/zinc/15/59/15/1358155915.db2.gz ABFPOMMWGKMCLS-TZIWHRDSSA-N 1 2 348.446 3.094 20 30 EGEDLO C[C@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)CC=CCC1 ZINC001084368551 1358201673 /nfs/dbraw/zinc/20/16/73/1358201673.db2.gz GOCMIYRFDTVMHU-SJBKTWHCSA-N 1 2 349.478 3.337 20 30 EGEDLO C[C@]1(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)CC=CCC1 ZINC001084368551 1358201674 /nfs/dbraw/zinc/20/16/74/1358201674.db2.gz GOCMIYRFDTVMHU-SJBKTWHCSA-N 1 2 349.478 3.337 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC(F)(F)C3)[C@@H]2C1 ZINC001084395502 1358206498 /nfs/dbraw/zinc/20/64/98/1358206498.db2.gz XMULZCOGVIWEOL-BFHYXJOUSA-N 1 2 332.822 3.097 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC(F)(F)C3)[C@@H]2C1 ZINC001084395502 1358206502 /nfs/dbraw/zinc/20/65/02/1358206502.db2.gz XMULZCOGVIWEOL-BFHYXJOUSA-N 1 2 332.822 3.097 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(Cl)n3)C[C@H]21 ZINC001084630616 1358260886 /nfs/dbraw/zinc/26/08/86/1358260886.db2.gz NAYNXIWAKMXAJP-OGWOLHLISA-N 1 2 347.890 3.370 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(Cl)n3)C[C@H]21 ZINC001084630616 1358260889 /nfs/dbraw/zinc/26/08/89/1358260889.db2.gz NAYNXIWAKMXAJP-OGWOLHLISA-N 1 2 347.890 3.370 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084635271 1358263640 /nfs/dbraw/zinc/26/36/40/1358263640.db2.gz UHXNPAWKYMOCMW-SFHLNBCPSA-N 1 2 337.467 3.193 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084635271 1358263642 /nfs/dbraw/zinc/26/36/42/1358263642.db2.gz UHXNPAWKYMOCMW-SFHLNBCPSA-N 1 2 337.467 3.193 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(CC)cc3)[C@@H]2C1 ZINC001084690255 1358281813 /nfs/dbraw/zinc/28/18/13/1358281813.db2.gz PWMCVZYWPKGOQP-QZTJIDSGSA-N 1 2 332.875 3.077 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(CC)cc3)[C@@H]2C1 ZINC001084690255 1358281817 /nfs/dbraw/zinc/28/18/17/1358281817.db2.gz PWMCVZYWPKGOQP-QZTJIDSGSA-N 1 2 332.875 3.077 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)c3ccccc3F)[C@@H]2C1 ZINC001084728216 1358293538 /nfs/dbraw/zinc/29/35/38/1358293538.db2.gz OQOVYMZBOXVDHQ-JJRVBVJISA-N 1 2 336.838 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)c3ccccc3F)[C@@H]2C1 ZINC001084728216 1358293541 /nfs/dbraw/zinc/29/35/41/1358293541.db2.gz OQOVYMZBOXVDHQ-JJRVBVJISA-N 1 2 336.838 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)c3ccc(C)s3)[C@@H]2C1 ZINC001084774467 1358307053 /nfs/dbraw/zinc/30/70/53/1358307053.db2.gz NRVUEWZHJAVKPX-RRFJBIMHSA-N 1 2 338.904 3.445 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)c3ccc(C)s3)[C@@H]2C1 ZINC001084774467 1358307054 /nfs/dbraw/zinc/30/70/54/1358307054.db2.gz NRVUEWZHJAVKPX-RRFJBIMHSA-N 1 2 338.904 3.445 20 30 EGEDLO Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)s1 ZINC001085461156 1358515351 /nfs/dbraw/zinc/51/53/51/1358515351.db2.gz YTVIPRDCMZEXGK-QGZVFWFLSA-N 1 2 339.464 3.275 20 30 EGEDLO Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)s1 ZINC001085461156 1358515354 /nfs/dbraw/zinc/51/53/54/1358515354.db2.gz YTVIPRDCMZEXGK-QGZVFWFLSA-N 1 2 339.464 3.275 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1)C(=O)[C@H]1CC=CCC1 ZINC001085479242 1358530765 /nfs/dbraw/zinc/53/07/65/1358530765.db2.gz PFGXCNDRQJQXBR-WMZOPIPTSA-N 1 2 341.430 3.086 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1)C(=O)[C@H]1CC=CCC1 ZINC001085479242 1358530767 /nfs/dbraw/zinc/53/07/67/1358530767.db2.gz PFGXCNDRQJQXBR-WMZOPIPTSA-N 1 2 341.430 3.086 20 30 EGEDLO Cc1cscc1C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001085535760 1358573068 /nfs/dbraw/zinc/57/30/68/1358573068.db2.gz OZDTZIKJUBLIJV-GOSISDBHSA-N 1 2 338.476 3.255 20 30 EGEDLO Cc1cscc1C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001085535760 1358573070 /nfs/dbraw/zinc/57/30/70/1358573070.db2.gz OZDTZIKJUBLIJV-GOSISDBHSA-N 1 2 338.476 3.255 20 30 EGEDLO Cc1cscc1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001085535761 1358573143 /nfs/dbraw/zinc/57/31/43/1358573143.db2.gz OZDTZIKJUBLIJV-SFHVURJKSA-N 1 2 338.476 3.255 20 30 EGEDLO Cc1cscc1C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001085535761 1358573146 /nfs/dbraw/zinc/57/31/46/1358573146.db2.gz OZDTZIKJUBLIJV-SFHVURJKSA-N 1 2 338.476 3.255 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@H]1CCCC1(C)C ZINC001085771793 1358744359 /nfs/dbraw/zinc/74/43/59/1358744359.db2.gz KFEHFSQTRVNBLW-RHSMWYFYSA-N 1 2 345.512 3.479 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@H]1CCCC1(C)C ZINC001085771793 1358744363 /nfs/dbraw/zinc/74/43/63/1358744363.db2.gz KFEHFSQTRVNBLW-RHSMWYFYSA-N 1 2 345.512 3.479 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@@H]1CCC1(C)C ZINC001085775073 1358746929 /nfs/dbraw/zinc/74/69/29/1358746929.db2.gz OSHLGHAYVDQKHK-OALUTQOASA-N 1 2 342.458 3.146 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@@H]1CCC1(C)C ZINC001085775073 1358746930 /nfs/dbraw/zinc/74/69/30/1358746930.db2.gz OSHLGHAYVDQKHK-OALUTQOASA-N 1 2 342.458 3.146 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1)C(=O)[C@H]1CCC1(C)C ZINC001085775569 1358748060 /nfs/dbraw/zinc/74/80/60/1358748060.db2.gz XTMZDDVYORYESM-IAGOWNOFSA-N 1 2 343.446 3.166 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1)C(=O)[C@H]1CCC1(C)C ZINC001085775569 1358748065 /nfs/dbraw/zinc/74/80/65/1358748065.db2.gz XTMZDDVYORYESM-IAGOWNOFSA-N 1 2 343.446 3.166 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)[C@H]1CCC1(C)C ZINC001085775450 1358748188 /nfs/dbraw/zinc/74/81/88/1358748188.db2.gz WCNDJCGZIGABJY-DLBZAZTESA-N 1 2 343.446 3.166 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)[C@H]1CCC1(C)C ZINC001085775450 1358748191 /nfs/dbraw/zinc/74/81/91/1358748191.db2.gz WCNDJCGZIGABJY-DLBZAZTESA-N 1 2 343.446 3.166 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2cnc(C)s2)CC1 ZINC001085798367 1358774297 /nfs/dbraw/zinc/77/42/97/1358774297.db2.gz PJSVIELWMBKLMZ-MRXNPFEDSA-N 1 2 333.501 3.231 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2cnc(C)s2)CC1 ZINC001085798367 1358774300 /nfs/dbraw/zinc/77/43/00/1358774300.db2.gz PJSVIELWMBKLMZ-MRXNPFEDSA-N 1 2 333.501 3.231 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2[C@@H](C)c2cnc(C)cn2)CC1 ZINC001085800925 1358776507 /nfs/dbraw/zinc/77/65/07/1358776507.db2.gz FXYRDIYCHMJGJC-FUHWJXTLSA-N 1 2 342.487 3.125 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2[C@@H](C)c2cnc(C)cn2)CC1 ZINC001085800925 1358776510 /nfs/dbraw/zinc/77/65/10/1358776510.db2.gz FXYRDIYCHMJGJC-FUHWJXTLSA-N 1 2 342.487 3.125 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2[C@H](C)c2cnc(C)cn2)CC1 ZINC001085800926 1358776608 /nfs/dbraw/zinc/77/66/08/1358776608.db2.gz FXYRDIYCHMJGJC-SJLPKXTDSA-N 1 2 342.487 3.125 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2[C@H](C)c2cnc(C)cn2)CC1 ZINC001085800926 1358776611 /nfs/dbraw/zinc/77/66/11/1358776611.db2.gz FXYRDIYCHMJGJC-SJLPKXTDSA-N 1 2 342.487 3.125 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(-c2ccco2)s1 ZINC001085938032 1358894221 /nfs/dbraw/zinc/89/42/21/1358894221.db2.gz WETSTIYOVIJSSK-CYBMUJFWSA-N 1 2 331.441 3.126 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(-c2ccco2)s1 ZINC001085938032 1358894223 /nfs/dbraw/zinc/89/42/23/1358894223.db2.gz WETSTIYOVIJSSK-CYBMUJFWSA-N 1 2 331.441 3.126 20 30 EGEDLO CCc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)cc1 ZINC001085955859 1358911613 /nfs/dbraw/zinc/91/16/13/1358911613.db2.gz MGKZDLVIYZSXPB-QFIPXVFZSA-N 1 2 346.474 3.447 20 30 EGEDLO CCc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2CC#Cc2ccccc2)cc1 ZINC001085955859 1358911614 /nfs/dbraw/zinc/91/16/14/1358911614.db2.gz MGKZDLVIYZSXPB-QFIPXVFZSA-N 1 2 346.474 3.447 20 30 EGEDLO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccc(F)s2)C1 ZINC001087444917 1359467790 /nfs/dbraw/zinc/46/77/90/1359467790.db2.gz YNFOOHGGIGHJRC-HZPDHXFCSA-N 1 2 342.439 3.108 20 30 EGEDLO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccc(F)s2)C1 ZINC001087444917 1359467791 /nfs/dbraw/zinc/46/77/91/1359467791.db2.gz YNFOOHGGIGHJRC-HZPDHXFCSA-N 1 2 342.439 3.108 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C2CC2)C1 ZINC001087461024 1359477691 /nfs/dbraw/zinc/47/76/91/1359477691.db2.gz NVIVZJXXAOCPGI-IAGOWNOFSA-N 1 2 336.838 3.262 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C2CC2)C1 ZINC001087461024 1359477694 /nfs/dbraw/zinc/47/76/94/1359477694.db2.gz NVIVZJXXAOCPGI-IAGOWNOFSA-N 1 2 336.838 3.262 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C[C@H]2C=CCC2)[C@H]1CC ZINC001087497125 1359497018 /nfs/dbraw/zinc/49/70/18/1359497018.db2.gz YARRLWNCYFGGDG-SOUVJXGZSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2C=CCC2)[C@H]1CC ZINC001087497125 1359497021 /nfs/dbraw/zinc/49/70/21/1359497021.db2.gz YARRLWNCYFGGDG-SOUVJXGZSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCCCC[C@H]([NH2+][C@H](C)c3noc(C)n3)C2)C1 ZINC001088379044 1359862733 /nfs/dbraw/zinc/86/27/33/1359862733.db2.gz YMDFVNYWNRYTHS-ZBFHGGJFSA-N 1 2 346.475 3.156 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3c(F)cccc3F)[C@@H]2C)C1 ZINC001088839771 1360074513 /nfs/dbraw/zinc/07/45/13/1360074513.db2.gz DGIIRCXFQHYUGJ-DYVFJYSZSA-N 1 2 334.410 3.400 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3c(F)cccc3F)[C@@H]2C)C1 ZINC001088839771 1360074516 /nfs/dbraw/zinc/07/45/16/1360074516.db2.gz DGIIRCXFQHYUGJ-DYVFJYSZSA-N 1 2 334.410 3.400 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)[C@H]1C ZINC001088840694 1360075424 /nfs/dbraw/zinc/07/54/24/1360075424.db2.gz RZAKBXIXPLTSTI-MCIONIFRSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)[C@H]1C ZINC001088840694 1360075427 /nfs/dbraw/zinc/07/54/27/1360075427.db2.gz RZAKBXIXPLTSTI-MCIONIFRSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccn2)[C@H]1C ZINC001088955655 1360113323 /nfs/dbraw/zinc/11/33/23/1360113323.db2.gz AAEXTHSRAPLBQK-PWSUYJOCSA-N 1 2 347.768 3.046 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccn2)[C@H]1C ZINC001088955655 1360113326 /nfs/dbraw/zinc/11/33/26/1360113326.db2.gz AAEXTHSRAPLBQK-PWSUYJOCSA-N 1 2 347.768 3.046 20 30 EGEDLO Cc1cc(N2C[C@H](NC(=O)C#CC(C)C)CC[C@H]2C)nc(C(C)C)[nH+]1 ZINC001089134421 1360194069 /nfs/dbraw/zinc/19/40/69/1360194069.db2.gz BLNODAPMZRKEBU-IAGOWNOFSA-N 1 2 342.487 3.041 20 30 EGEDLO Cc1cc(N[C@@H](C)C[C@H](C)NC(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001089313577 1360332285 /nfs/dbraw/zinc/33/22/85/1360332285.db2.gz PFIGIGMTXUMOND-KBPBESRZSA-N 1 2 328.460 3.017 20 30 EGEDLO CC1(C)CC[C@H](CNC(=O)C2CC2)[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001089593910 1360520456 /nfs/dbraw/zinc/52/04/56/1360520456.db2.gz WZGWNYMFLPTQBV-GOSISDBHSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@H](CNC(=O)C2CC2)[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001089593910 1360520459 /nfs/dbraw/zinc/52/04/59/1360520459.db2.gz WZGWNYMFLPTQBV-GOSISDBHSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cncc(C)c1 ZINC001089623761 1360541781 /nfs/dbraw/zinc/54/17/81/1360541781.db2.gz DOZPTANDFXFCAK-MRXNPFEDSA-N 1 2 335.879 3.363 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cncc(C)c1 ZINC001089623761 1360541784 /nfs/dbraw/zinc/54/17/84/1360541784.db2.gz DOZPTANDFXFCAK-MRXNPFEDSA-N 1 2 335.879 3.363 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccnc(C)c1 ZINC001089714551 1360616687 /nfs/dbraw/zinc/61/66/87/1360616687.db2.gz JYJAYLVRYNQASR-MRXNPFEDSA-N 1 2 335.879 3.363 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccnc(C)c1 ZINC001089714551 1360616691 /nfs/dbraw/zinc/61/66/91/1360616691.db2.gz JYJAYLVRYNQASR-MRXNPFEDSA-N 1 2 335.879 3.363 20 30 EGEDLO C=C(C)CCC(=O)NCCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001089844668 1360694381 /nfs/dbraw/zinc/69/43/81/1360694381.db2.gz IFOMFTYKSONHEI-UHFFFAOYSA-N 1 2 342.487 3.401 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H](CNc2cc[nH+]c(C)n2)[C@H](C)C1 ZINC001090282076 1360886545 /nfs/dbraw/zinc/88/65/45/1360886545.db2.gz TWKBNWRWBFZMRB-AEFFLSMTSA-N 1 2 342.487 3.265 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@H](CNc3cc[nH+]c(C)n3)[C@H](C)C2)CC1 ZINC001090282596 1360886778 /nfs/dbraw/zinc/88/67/78/1360886778.db2.gz WNHAANIPLHHUTN-NVXWUHKLSA-N 1 2 342.487 3.428 20 30 EGEDLO C=CCCC(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C12CCC2 ZINC001090598227 1360904658 /nfs/dbraw/zinc/90/46/58/1360904658.db2.gz FSGOSBJOZWGNTG-CVEARBPZSA-N 1 2 340.471 3.468 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C12CCC2 ZINC001090611902 1360910621 /nfs/dbraw/zinc/91/06/21/1360910621.db2.gz FADVSHYWGCYMTB-KGLIPLIRSA-N 1 2 348.878 3.403 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C12CCC2 ZINC001090612153 1360910643 /nfs/dbraw/zinc/91/06/43/1360910643.db2.gz GPCGDMRFQHIXLP-IRXDYDNUSA-N 1 2 340.471 3.393 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001090827855 1360940907 /nfs/dbraw/zinc/94/09/07/1360940907.db2.gz HMVQPCLNHYQENS-AUJRIZCKSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2CCN(c3cc(C)[nH+]c(C(C)C)n3)[C@H]2C1 ZINC001091203927 1361006507 /nfs/dbraw/zinc/00/65/07/1361006507.db2.gz JDQQHJICVKCIDF-IRXDYDNUSA-N 1 2 342.487 3.302 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001091502383 1361128077 /nfs/dbraw/zinc/12/80/77/1361128077.db2.gz LKEAPERVSXUNNT-GUSZCTEKSA-N 1 2 342.487 3.427 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1CC ZINC001091769443 1361215703 /nfs/dbraw/zinc/21/57/03/1361215703.db2.gz WRDLFWMUSCHJQR-JKSUJKDBSA-N 1 2 328.460 3.102 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@@]2(C)C1 ZINC001091916833 1361247404 /nfs/dbraw/zinc/24/74/04/1361247404.db2.gz MJJOXYOISWJNDL-VALBVYRLSA-N 1 2 331.287 3.298 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@@]2(C)C1 ZINC001091916833 1361247405 /nfs/dbraw/zinc/24/74/05/1361247405.db2.gz MJJOXYOISWJNDL-VALBVYRLSA-N 1 2 331.287 3.298 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)CC(C)(C)C1 ZINC001092088637 1361298518 /nfs/dbraw/zinc/29/85/18/1361298518.db2.gz MLOPHRMGVVWYKK-INIZCTEOSA-N 1 2 330.476 3.253 20 30 EGEDLO C#CCCCCC(=O)NCC1CC(Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001092209673 1361324045 /nfs/dbraw/zinc/32/40/45/1361324045.db2.gz IYTNYRAEYVLJFZ-UHFFFAOYSA-N 1 2 340.471 3.163 20 30 EGEDLO C=C1CC(C)(C(=O)NCC2CC(Nc3cc(C)[nH+]c(C4CC4)n3)C2)C1 ZINC001092259316 1361346126 /nfs/dbraw/zinc/34/61/26/1361346126.db2.gz ZWHFTCKEYMVSSN-UHFFFAOYSA-N 1 2 340.471 3.325 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C1(C)CCCCCC1)c1nccn12 ZINC001092372281 1361370510 /nfs/dbraw/zinc/37/05/10/1361370510.db2.gz AMHOYXZVLWYARX-MRXNPFEDSA-N 1 2 342.487 3.002 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001092411520 1361374821 /nfs/dbraw/zinc/37/48/21/1361374821.db2.gz HPJNUUMSCJXTLU-NVXWUHKLSA-N 1 2 344.503 3.453 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001092881170 1361476695 /nfs/dbraw/zinc/47/66/95/1361476695.db2.gz BMADVFJRAVTDJI-PMPSAXMXSA-N 1 2 342.487 3.176 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001093036570 1361513515 /nfs/dbraw/zinc/51/35/15/1361513515.db2.gz DBRZBGYPKBSTAR-DZUCGIPZSA-N 1 2 342.487 3.176 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C(C3CCC3)C3CCC3)CC2)C1 ZINC001093565804 1361644629 /nfs/dbraw/zinc/64/46/29/1361644629.db2.gz CPXMNKNCJWZJJX-UHFFFAOYSA-N 1 2 346.515 3.081 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H](C)c3ccsc3)CC2)C1 ZINC001093572267 1361646884 /nfs/dbraw/zinc/64/68/84/1361646884.db2.gz KNQCRVRCZMIRRJ-HNNXBMFYSA-N 1 2 348.512 3.120 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)C1 ZINC001093595457 1361652575 /nfs/dbraw/zinc/65/25/75/1361652575.db2.gz FJWZCZWMFKZXJB-QGZVFWFLSA-N 1 2 342.483 3.058 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@H]3CCCCC3(C)C)CC2)C1 ZINC001093600672 1361655017 /nfs/dbraw/zinc/65/50/17/1361655017.db2.gz PQVLOPWKAZMXJK-QGZVFWFLSA-N 1 2 348.531 3.471 20 30 EGEDLO C=CC1(CC(=O)N2CC[C@@H](N(C)c3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001095122710 1362021643 /nfs/dbraw/zinc/02/16/43/1362021643.db2.gz PDYNOXAFSQQTRP-QGZVFWFLSA-N 1 2 342.487 3.349 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095193697 1362048979 /nfs/dbraw/zinc/04/89/79/1362048979.db2.gz FWGRNOBGELRPSD-UHFFFAOYSA-N 1 2 330.476 3.043 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001095712723 1362209831 /nfs/dbraw/zinc/20/98/31/1362209831.db2.gz WJFLNTXMAXDBGL-DZGCQCFKSA-N 1 2 330.476 3.063 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)C2 ZINC001095838624 1362251364 /nfs/dbraw/zinc/25/13/64/1362251364.db2.gz UZCPNFMVLSDBIG-QRTLGDNMSA-N 1 2 348.661 3.409 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)C2 ZINC001095838624 1362251377 /nfs/dbraw/zinc/25/13/77/1362251377.db2.gz UZCPNFMVLSDBIG-QRTLGDNMSA-N 1 2 348.661 3.409 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H](C)c2ncc(C)o2)C1 ZINC001095983396 1362322103 /nfs/dbraw/zinc/32/21/03/1362322103.db2.gz YLXMIRGIFFQHMO-WCVJEAGWSA-N 1 2 329.444 3.122 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H](C)c2ncc(C)o2)C1 ZINC001095983396 1362322105 /nfs/dbraw/zinc/32/21/05/1362322105.db2.gz YLXMIRGIFFQHMO-WCVJEAGWSA-N 1 2 329.444 3.122 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ncc(C)s2)C1 ZINC001095983191 1362322180 /nfs/dbraw/zinc/32/21/80/1362322180.db2.gz UZMWHPBQGGJJFE-ILXRZTDVSA-N 1 2 331.485 3.029 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ncc(C)s2)C1 ZINC001095983191 1362322182 /nfs/dbraw/zinc/32/21/82/1362322182.db2.gz UZMWHPBQGGJJFE-ILXRZTDVSA-N 1 2 331.485 3.029 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC(F)(F)C1)C2 ZINC001095998407 1362328295 /nfs/dbraw/zinc/32/82/95/1362328295.db2.gz OASYUBQNKBWZGA-MQYQWHSLSA-N 1 2 332.822 3.286 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC(F)(F)C1)C2 ZINC001095998407 1362328301 /nfs/dbraw/zinc/32/83/01/1362328301.db2.gz OASYUBQNKBWZGA-MQYQWHSLSA-N 1 2 332.822 3.286 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3c1CCC3)C2 ZINC001096644687 1362614170 /nfs/dbraw/zinc/61/41/70/1362614170.db2.gz CNFGMVFGZIZZJZ-JLSDUUJJSA-N 1 2 330.859 3.263 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3c1CCC3)C2 ZINC001096644687 1362614173 /nfs/dbraw/zinc/61/41/73/1362614173.db2.gz CNFGMVFGZIZZJZ-JLSDUUJJSA-N 1 2 330.859 3.263 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001097015252 1362811624 /nfs/dbraw/zinc/81/16/24/1362811624.db2.gz YKCFNSCEJCCFPA-WKILWMFISA-N 1 2 328.460 3.161 20 30 EGEDLO CC1(C)CC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)C1 ZINC001097034184 1362817614 /nfs/dbraw/zinc/81/76/14/1362817614.db2.gz KLIDWPWGQKKVHM-QRVBRYPASA-N 1 2 337.467 3.216 20 30 EGEDLO CC1(C)CC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)C1 ZINC001097034184 1362817618 /nfs/dbraw/zinc/81/76/18/1362817618.db2.gz KLIDWPWGQKKVHM-QRVBRYPASA-N 1 2 337.467 3.216 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001097097981 1362841846 /nfs/dbraw/zinc/84/18/46/1362841846.db2.gz BUDNKZNHDOSESJ-AVYPCKFXSA-N 1 2 342.487 3.325 20 30 EGEDLO C=CC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nc(C)[nH+]c(C)c1C ZINC001097131511 1362856896 /nfs/dbraw/zinc/85/68/96/1362856896.db2.gz WMFHFLWEKBQGKK-ALOPSCKCSA-N 1 2 342.487 3.230 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001097539787 1363047557 /nfs/dbraw/zinc/04/75/57/1363047557.db2.gz IRMUZVMSJJSBMG-GDBMZVCRSA-N 1 2 330.476 3.108 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([NH2+]Cc2nc(C3CCCC3)no2)C1 ZINC001185071349 1387608224 /nfs/dbraw/zinc/60/82/24/1387608224.db2.gz TWMDWGOWBPXTCA-GOEBONIOSA-N 1 2 346.475 3.020 20 30 EGEDLO C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)C=CCC1 ZINC001097665251 1363095399 /nfs/dbraw/zinc/09/53/99/1363095399.db2.gz QQRLQVMYGUJZME-WERVVEIQSA-N 1 2 335.451 3.136 20 30 EGEDLO C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)C=CCC1 ZINC001097665251 1363095404 /nfs/dbraw/zinc/09/54/04/1363095404.db2.gz QQRLQVMYGUJZME-WERVVEIQSA-N 1 2 335.451 3.136 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001097804877 1363125033 /nfs/dbraw/zinc/12/50/33/1363125033.db2.gz DQGPHDVRPPKODG-CBFGRJNTSA-N 1 2 337.467 3.216 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001097804877 1363125037 /nfs/dbraw/zinc/12/50/37/1363125037.db2.gz DQGPHDVRPPKODG-CBFGRJNTSA-N 1 2 337.467 3.216 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3cc[nH]c3c1)C2 ZINC001097932976 1363170585 /nfs/dbraw/zinc/17/05/85/1363170585.db2.gz ZBJRESCPEBCRQV-OIISXLGYSA-N 1 2 329.831 3.256 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3cc[nH]c3c1)C2 ZINC001097932976 1363170586 /nfs/dbraw/zinc/17/05/86/1363170586.db2.gz ZBJRESCPEBCRQV-OIISXLGYSA-N 1 2 329.831 3.256 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(OC)c1C)C2 ZINC001097934055 1363171029 /nfs/dbraw/zinc/17/10/29/1363171029.db2.gz GTGOHRKRJIMSKG-BMFZPTHFSA-N 1 2 334.847 3.091 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(OC)c1C)C2 ZINC001097934055 1363171032 /nfs/dbraw/zinc/17/10/32/1363171032.db2.gz GTGOHRKRJIMSKG-BMFZPTHFSA-N 1 2 334.847 3.091 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)NC[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001098174426 1363244432 /nfs/dbraw/zinc/24/44/32/1363244432.db2.gz ZOEWMPMQQBIKOS-HNAYVOBHSA-N 1 2 348.491 3.054 20 30 EGEDLO C=CCCC1(C(=O)NC[C@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001098243836 1363267349 /nfs/dbraw/zinc/26/73/49/1363267349.db2.gz GUVPORLIKCKNSV-AWEZNQCLSA-N 1 2 328.460 3.325 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H](CNc3cc[nH+]c(C)n3)C2)CCCC1 ZINC001098535857 1363357679 /nfs/dbraw/zinc/35/76/79/1363357679.db2.gz FDSIYPZUASSFTH-MRXNPFEDSA-N 1 2 328.460 3.182 20 30 EGEDLO C#CCCCC(=O)N1CCC[C@H](N(C)c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001098693456 1363436803 /nfs/dbraw/zinc/43/68/03/1363436803.db2.gz UEYWSYAHQIQKCF-KRWDZBQOSA-N 1 2 342.487 3.139 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](OCC)C(C)C ZINC001099074674 1363609915 /nfs/dbraw/zinc/60/99/15/1363609915.db2.gz PTIMOXHCMYFSGZ-HOTGVXAUSA-N 1 2 344.927 3.407 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](OCC)C(C)C ZINC001099074674 1363609917 /nfs/dbraw/zinc/60/99/17/1363609917.db2.gz PTIMOXHCMYFSGZ-HOTGVXAUSA-N 1 2 344.927 3.407 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)COC ZINC001099144243 1363653016 /nfs/dbraw/zinc/65/30/16/1363653016.db2.gz CIDCODPKRYVSJA-AWEZNQCLSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)COC ZINC001099144243 1363653020 /nfs/dbraw/zinc/65/30/20/1363653020.db2.gz CIDCODPKRYVSJA-AWEZNQCLSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ccn(C)n1 ZINC001099171828 1363670183 /nfs/dbraw/zinc/67/01/83/1363670183.db2.gz UWMIRBYWTQKGAV-KRWDZBQOSA-N 1 2 346.519 3.129 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ccn(C)n1 ZINC001099171828 1363670184 /nfs/dbraw/zinc/67/01/84/1363670184.db2.gz UWMIRBYWTQKGAV-KRWDZBQOSA-N 1 2 346.519 3.129 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ncc(C)cn1 ZINC001099202666 1363689937 /nfs/dbraw/zinc/68/99/37/1363689937.db2.gz DGJIXLVUZVSPER-QGZVFWFLSA-N 1 2 344.503 3.248 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ncc(C)cn1 ZINC001099202666 1363689939 /nfs/dbraw/zinc/68/99/39/1363689939.db2.gz DGJIXLVUZVSPER-QGZVFWFLSA-N 1 2 344.503 3.248 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ccon1 ZINC001099215267 1363696586 /nfs/dbraw/zinc/69/65/86/1363696586.db2.gz RJDHRXRYSORTGA-LPHOPBHVSA-N 1 2 333.476 3.384 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ccon1 ZINC001099215267 1363696587 /nfs/dbraw/zinc/69/65/87/1363696587.db2.gz RJDHRXRYSORTGA-LPHOPBHVSA-N 1 2 333.476 3.384 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCN(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001100684400 1364217552 /nfs/dbraw/zinc/21/75/52/1364217552.db2.gz ODOVVKNHFYLITG-HNNXBMFYSA-N 1 2 330.476 3.207 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCN(CC)c1nc(C)[nH+]c2c1CCCC2 ZINC001100704945 1364227677 /nfs/dbraw/zinc/22/76/77/1364227677.db2.gz IAXAIVLGEQXTAM-HXUWFJFHSA-N 1 2 344.503 3.209 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC001100886323 1364312494 /nfs/dbraw/zinc/31/24/94/1364312494.db2.gz GPQWHMQSNOBNQR-HNNXBMFYSA-N 1 2 330.476 3.206 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001101038361 1364384546 /nfs/dbraw/zinc/38/45/46/1364384546.db2.gz LFFHYNVWYGOEFV-DLBZAZTESA-N 1 2 344.503 3.453 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H]2CCN(c3cc(C)[nH+]c(C(C)C)n3)C2)C1 ZINC001101050174 1364392320 /nfs/dbraw/zinc/39/23/20/1364392320.db2.gz GNWRRHLPHKNZLU-MRXNPFEDSA-N 1 2 342.487 3.207 20 30 EGEDLO C=CC(C)(C)C(=O)NCCN(CCC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001101220924 1364470726 /nfs/dbraw/zinc/47/07/26/1364470726.db2.gz WEUAZUGHLQYGNU-UHFFFAOYSA-N 1 2 332.492 3.453 20 30 EGEDLO CC#CCCCC(=O)NCCN(CCC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001101223798 1364472119 /nfs/dbraw/zinc/47/21/19/1364472119.db2.gz OEFJENIIYUKSML-UHFFFAOYSA-N 1 2 344.503 3.435 20 30 EGEDLO C=CC(C)(C)C(=O)NCC[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102369288 1365026648 /nfs/dbraw/zinc/02/66/48/1365026648.db2.gz RHEUBDCQGBVAJQ-OAHLLOKOSA-N 1 2 342.487 3.207 20 30 EGEDLO C#CCCCCC(=O)N(CC)[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102795951 1365223922 /nfs/dbraw/zinc/22/39/22/1365223922.db2.gz MUARZDLFMQNFCA-SFHVURJKSA-N 1 2 342.487 3.023 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCC[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001102942847 1365307651 /nfs/dbraw/zinc/30/76/51/1365307651.db2.gz GNZZBQLEYWKOKF-IAGOWNOFSA-N 1 2 330.476 3.110 20 30 EGEDLO C=CCCC(=O)NC1(CNc2nc(C)[nH+]c3c2CCCC3)CCCC1 ZINC001103407115 1365542045 /nfs/dbraw/zinc/54/20/45/1365542045.db2.gz MRRFDZAEBOTTIW-UHFFFAOYSA-N 1 2 342.487 3.471 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001103614018 1365676978 /nfs/dbraw/zinc/67/69/78/1365676978.db2.gz AKYQKIALSKFNLH-MRXNPFEDSA-N 1 2 330.476 3.428 20 30 EGEDLO C#CCC1(C(=O)N2CCC(CCNc3cc[nH+]c(C)n3)CC2)CCC1 ZINC001103623661 1365685219 /nfs/dbraw/zinc/68/52/19/1365685219.db2.gz NLUOMCCMQTWFRV-UHFFFAOYSA-N 1 2 340.471 3.019 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCC[C@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001103771148 1365775536 /nfs/dbraw/zinc/77/55/36/1365775536.db2.gz FEVAKAQTGCJXDI-RDTXWAMCSA-N 1 2 344.503 3.479 20 30 EGEDLO Cc1cc(NC2(CNC(=O)C#CC(C)C)CCCC2)nc(C2CC2)[nH+]1 ZINC001104392768 1366002007 /nfs/dbraw/zinc/00/20/07/1366002007.db2.gz WREAJLHAPXRYMX-UHFFFAOYSA-N 1 2 340.471 3.163 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@H](C)C1 ZINC001105038507 1366288043 /nfs/dbraw/zinc/28/80/43/1366288043.db2.gz NVRFXLHTCZZDTJ-CZUORRHYSA-N 1 2 328.460 3.278 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]([C@@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001105081323 1366313874 /nfs/dbraw/zinc/31/38/74/1366313874.db2.gz JICNFAHVNYUCGJ-ZBFHGGJFSA-N 1 2 330.476 3.426 20 30 EGEDLO C#CCCCC(=O)NC[C@@H](Nc1cc(C)[nH+]c(C(C)C)n1)C(C)C ZINC001105162717 1366351342 /nfs/dbraw/zinc/35/13/42/1366351342.db2.gz WZRSDUCZIHSYLZ-MRXNPFEDSA-N 1 2 330.476 3.265 20 30 EGEDLO C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C(F)C(F)(F)F)CCC1 ZINC001105539715 1366518867 /nfs/dbraw/zinc/51/88/67/1366518867.db2.gz NYSDHCOCSKHTSO-KBPBESRZSA-N 1 2 348.384 3.051 20 30 EGEDLO C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H](F)C(F)(F)F)CCC1 ZINC001105539715 1366518869 /nfs/dbraw/zinc/51/88/69/1366518869.db2.gz NYSDHCOCSKHTSO-KBPBESRZSA-N 1 2 348.384 3.051 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@@H](C)CCCCC)CC2)C1 ZINC001105726361 1366586460 /nfs/dbraw/zinc/58/64/60/1366586460.db2.gz JHDWWDSUCDFPDC-KRWDZBQOSA-N 1 2 336.520 3.471 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H](C)CC(C)(C)C)CC2)C1 ZINC001105726217 1366586661 /nfs/dbraw/zinc/58/66/61/1366586661.db2.gz GQXGHHOFCISKIY-INIZCTEOSA-N 1 2 336.520 3.327 20 30 EGEDLO C=CCOCCCC(=O)N[C@@H](C)CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001106294810 1366645526 /nfs/dbraw/zinc/64/55/26/1366645526.db2.gz UZHZQHSEPRAGRW-HNNXBMFYSA-N 1 2 348.491 3.198 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([NH2+][C@H](C)c2nnc(CC(C)C)o2)C1 ZINC001185960056 1387836222 /nfs/dbraw/zinc/83/62/22/1387836222.db2.gz RIQKYSKJRLMZSI-HUUCEWRRSA-N 1 2 348.491 3.122 20 30 EGEDLO CC(C)C#CC(=O)NC/C=C/CNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001107160507 1366883126 /nfs/dbraw/zinc/88/31/26/1366883126.db2.gz XVGJUWNWGYRVMZ-BQYQJAHWSA-N 1 2 342.487 3.467 20 30 EGEDLO C=CC1(CC(=O)NC/C=C\CNc2cc[nH+]c(C)n2)CCCCC1 ZINC001107250776 1366904548 /nfs/dbraw/zinc/90/45/48/1366904548.db2.gz KAPPCULZETUZNO-FPLPWBNLSA-N 1 2 328.460 3.396 20 30 EGEDLO C=C(C)CCC(=O)NC/C=C/CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107376981 1366946582 /nfs/dbraw/zinc/94/65/82/1366946582.db2.gz VEROFDWUPJJLJF-VOTSOKGWSA-N 1 2 328.460 3.104 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]([N@H+](C)Cc2nc(C(C)(C)C)cs2)C1 ZINC001189317787 1366987176 /nfs/dbraw/zinc/98/71/76/1366987176.db2.gz DVZGRJIWSRZXMU-AWEZNQCLSA-N 1 2 335.517 3.440 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2nc(C(C)(C)C)cs2)C1 ZINC001189317787 1366987178 /nfs/dbraw/zinc/98/71/78/1366987178.db2.gz DVZGRJIWSRZXMU-AWEZNQCLSA-N 1 2 335.517 3.440 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC/C=C/CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107496029 1366994944 /nfs/dbraw/zinc/99/49/44/1366994944.db2.gz QBZYMCSTYYDICX-XTXLJPNXSA-N 1 2 342.487 3.350 20 30 EGEDLO CCC[C@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001189462309 1367029496 /nfs/dbraw/zinc/02/94/96/1367029496.db2.gz VGTUQPOFXIEAAC-KBXCAEBGSA-N 1 2 331.435 3.166 20 30 EGEDLO CCC[C@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001189462309 1367029499 /nfs/dbraw/zinc/02/94/99/1367029499.db2.gz VGTUQPOFXIEAAC-KBXCAEBGSA-N 1 2 331.435 3.166 20 30 EGEDLO C=CCC(C)(C)C(=O)NC/C=C/CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107540851 1367030047 /nfs/dbraw/zinc/03/00/47/1367030047.db2.gz DZBUQVBJUCUORO-CMDGGOBGSA-N 1 2 342.487 3.350 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1F ZINC001109259919 1367030308 /nfs/dbraw/zinc/03/03/08/1367030308.db2.gz YZNAVPVXYMKAKO-NJAFHUGGSA-N 1 2 346.421 3.236 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1F ZINC001109259919 1367030313 /nfs/dbraw/zinc/03/03/13/1367030313.db2.gz YZNAVPVXYMKAKO-NJAFHUGGSA-N 1 2 346.421 3.236 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CCCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001109340389 1367066359 /nfs/dbraw/zinc/06/63/59/1367066359.db2.gz UZKCZVASFNGLFW-SJORKVTESA-N 1 2 328.460 3.066 20 30 EGEDLO C#CCCCC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2c(F)cccc2F)C1 ZINC001189925698 1367132964 /nfs/dbraw/zinc/13/29/64/1367132964.db2.gz DXMYPLVFTXSEFF-GJZGRUSLSA-N 1 2 334.410 3.362 20 30 EGEDLO C#CCCCC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2c(F)cccc2F)C1 ZINC001189925698 1367132969 /nfs/dbraw/zinc/13/29/69/1367132969.db2.gz DXMYPLVFTXSEFF-GJZGRUSLSA-N 1 2 334.410 3.362 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(F)cc2C)CCO1 ZINC001107976686 1367226759 /nfs/dbraw/zinc/22/67/59/1367226759.db2.gz SQABPXUCCDHFDP-FQEVSTJZSA-N 1 2 348.462 3.198 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(F)cc2C)CCO1 ZINC001107976686 1367226763 /nfs/dbraw/zinc/22/67/63/1367226763.db2.gz SQABPXUCCDHFDP-FQEVSTJZSA-N 1 2 348.462 3.198 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnc(Cl)c1 ZINC001109627343 1367245768 /nfs/dbraw/zinc/24/57/68/1367245768.db2.gz NFPGFIILLAVELI-IKGGRYGDSA-N 1 2 345.874 3.150 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnc(Cl)c1 ZINC001109627343 1367245772 /nfs/dbraw/zinc/24/57/72/1367245772.db2.gz NFPGFIILLAVELI-IKGGRYGDSA-N 1 2 345.874 3.150 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001190395823 1367251947 /nfs/dbraw/zinc/25/19/47/1367251947.db2.gz AXKMLDGGBIEKQP-MRXNPFEDSA-N 1 2 331.460 3.187 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001190395823 1367251955 /nfs/dbraw/zinc/25/19/55/1367251955.db2.gz AXKMLDGGBIEKQP-MRXNPFEDSA-N 1 2 331.460 3.187 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001190428632 1367262438 /nfs/dbraw/zinc/26/24/38/1367262438.db2.gz MQVMNJMBLBTBNG-SFHVURJKSA-N 1 2 329.419 3.086 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001190428632 1367262444 /nfs/dbraw/zinc/26/24/44/1367262444.db2.gz MQVMNJMBLBTBNG-SFHVURJKSA-N 1 2 329.419 3.086 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2nnc(CC(C)C)o2)C1 ZINC001190435649 1367265525 /nfs/dbraw/zinc/26/55/25/1367265525.db2.gz IKTKDKUPILVUAL-CVEARBPZSA-N 1 2 348.491 3.218 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2nnc(CC(C)C)o2)C1 ZINC001190435649 1367265529 /nfs/dbraw/zinc/26/55/29/1367265529.db2.gz IKTKDKUPILVUAL-CVEARBPZSA-N 1 2 348.491 3.218 20 30 EGEDLO C#CCC1(C(=O)N2CC[C@@H]([N@H+](C)CC=C(Cl)Cl)C2)CCC1 ZINC001190605506 1367305977 /nfs/dbraw/zinc/30/59/77/1367305977.db2.gz XPIJAKRUEWUYNH-CYBMUJFWSA-N 1 2 329.271 3.032 20 30 EGEDLO C#CCC1(C(=O)N2CC[C@@H]([N@@H+](C)CC=C(Cl)Cl)C2)CCC1 ZINC001190605506 1367305983 /nfs/dbraw/zinc/30/59/83/1367305983.db2.gz XPIJAKRUEWUYNH-CYBMUJFWSA-N 1 2 329.271 3.032 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001109769831 1367313026 /nfs/dbraw/zinc/31/30/26/1367313026.db2.gz WZHZQMFFZGWSQR-ILXRZTDVSA-N 1 2 333.501 3.275 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001109769831 1367313030 /nfs/dbraw/zinc/31/30/30/1367313030.db2.gz WZHZQMFFZGWSQR-ILXRZTDVSA-N 1 2 333.501 3.275 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC2CCCC2)C(C)C)C1 ZINC001108257140 1367366287 /nfs/dbraw/zinc/36/62/87/1367366287.db2.gz HHNSSWLTXOKPAN-FPOVZHCZSA-N 1 2 348.531 3.069 20 30 EGEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC2CCCC2)C(C)C)C1 ZINC001108257140 1367366294 /nfs/dbraw/zinc/36/62/94/1367366294.db2.gz HHNSSWLTXOKPAN-FPOVZHCZSA-N 1 2 348.531 3.069 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC(C)(C)C2CCCCC2)C1 ZINC001108343525 1367400663 /nfs/dbraw/zinc/40/06/63/1367400663.db2.gz UMRXMWSQCANGHB-FQEVSTJZSA-N 1 2 336.520 3.376 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CC(C)(C)C2CCCCC2)C1 ZINC001108343525 1367400665 /nfs/dbraw/zinc/40/06/65/1367400665.db2.gz UMRXMWSQCANGHB-FQEVSTJZSA-N 1 2 336.520 3.376 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001108423864 1367447526 /nfs/dbraw/zinc/44/75/26/1367447526.db2.gz BQWCEBHSPLSTAW-DYESRHJHSA-N 1 2 342.483 3.044 20 30 EGEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001108423864 1367447529 /nfs/dbraw/zinc/44/75/29/1367447529.db2.gz BQWCEBHSPLSTAW-DYESRHJHSA-N 1 2 342.483 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1ccccc1)C2 ZINC001110131266 1367515556 /nfs/dbraw/zinc/51/55/56/1367515556.db2.gz 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C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2cnc(Cl)s2)C1 ZINC001191868462 1367622283 /nfs/dbraw/zinc/62/22/83/1367622283.db2.gz UDICOWMBWKQREI-QWHCGFSZSA-N 1 2 341.908 3.432 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cnc(Cl)s2)C1 ZINC001191868462 1367622288 /nfs/dbraw/zinc/62/22/88/1367622288.db2.gz UDICOWMBWKQREI-QWHCGFSZSA-N 1 2 341.908 3.432 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001191868521 1367622395 /nfs/dbraw/zinc/62/23/95/1367622395.db2.gz VDTJCHKDEJHUBL-KXBFYZLASA-N 1 2 343.446 3.332 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001191868521 1367622399 /nfs/dbraw/zinc/62/23/99/1367622399.db2.gz VDTJCHKDEJHUBL-KXBFYZLASA-N 1 2 343.446 3.332 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC1(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001110303088 1367623801 /nfs/dbraw/zinc/62/38/01/1367623801.db2.gz CESQULXEFTZZDA-UONOGXRCSA-N 1 2 342.487 3.183 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001191890685 1367627387 /nfs/dbraw/zinc/62/73/87/1367627387.db2.gz TWTJMDXSCUDUAG-PBHICJAKSA-N 1 2 331.460 3.187 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001191890685 1367627392 /nfs/dbraw/zinc/62/73/92/1367627392.db2.gz TWTJMDXSCUDUAG-PBHICJAKSA-N 1 2 331.460 3.187 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001191910890 1367634124 /nfs/dbraw/zinc/63/41/24/1367634124.db2.gz AHAMPIMWZSPOSN-HNAYVOBHSA-N 1 2 343.446 3.332 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001191910890 1367634133 /nfs/dbraw/zinc/63/41/33/1367634133.db2.gz AHAMPIMWZSPOSN-HNAYVOBHSA-N 1 2 343.446 3.332 20 30 EGEDLO C=CCC(C)(C)C(=O)NCC1(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001110365348 1367670384 /nfs/dbraw/zinc/67/03/84/1367670384.db2.gz BFCISGCCEUYNBE-UHFFFAOYSA-N 1 2 342.487 3.327 20 30 EGEDLO CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001108936524 1367671459 /nfs/dbraw/zinc/67/14/59/1367671459.db2.gz KVLJMAWJSRAKNJ-NJAFHUGGSA-N 1 2 343.446 3.355 20 30 EGEDLO CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001108936524 1367671462 /nfs/dbraw/zinc/67/14/62/1367671462.db2.gz KVLJMAWJSRAKNJ-NJAFHUGGSA-N 1 2 343.446 3.355 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)CCC)C1 ZINC001192084645 1367683907 /nfs/dbraw/zinc/68/39/07/1367683907.db2.gz XLVKEHKCVGCEIL-ZDUSSCGKSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)CCC)C1 ZINC001192084645 1367683913 /nfs/dbraw/zinc/68/39/13/1367683913.db2.gz XLVKEHKCVGCEIL-ZDUSSCGKSA-N 1 2 331.298 3.254 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)cc(F)c1 ZINC001110459218 1367747781 /nfs/dbraw/zinc/74/77/81/1367747781.db2.gz AKCFPDOKZPKIAT-QRVBRYPASA-N 1 2 346.421 3.380 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)cc(F)c1 ZINC001110459218 1367747786 /nfs/dbraw/zinc/74/77/86/1367747786.db2.gz AKCFPDOKZPKIAT-QRVBRYPASA-N 1 2 346.421 3.380 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]2CCN(c3nc(C)[nH+]c(C)c3C)[C@@H]2C1 ZINC001110496508 1367784572 /nfs/dbraw/zinc/78/45/72/1367784572.db2.gz GYSIWPPDKHTOPE-QZTJIDSGSA-N 1 2 342.487 3.185 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(F)c1 ZINC001110543292 1367821198 /nfs/dbraw/zinc/82/11/98/1367821198.db2.gz LGSJDSCLFCKCRW-OLMNPRSZSA-N 1 2 346.421 3.236 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(F)c1 ZINC001110543292 1367821206 /nfs/dbraw/zinc/82/12/06/1367821206.db2.gz LGSJDSCLFCKCRW-OLMNPRSZSA-N 1 2 346.421 3.236 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H](CNc1cc[nH+]c(C)n1)C1CCCC1 ZINC001110675662 1367916553 /nfs/dbraw/zinc/91/65/53/1367916553.db2.gz DWEJSXMMCQGVQL-NVXWUHKLSA-N 1 2 330.476 3.474 20 30 EGEDLO C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)cc(C)n1)C2 ZINC001110750255 1367959945 /nfs/dbraw/zinc/95/99/45/1367959945.db2.gz CTYAVFBKOKXMGC-MTNOOBJLSA-N 1 2 327.472 3.388 20 30 EGEDLO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)cc(C)n1)C2 ZINC001110750255 1367959947 /nfs/dbraw/zinc/95/99/47/1367959947.db2.gz CTYAVFBKOKXMGC-MTNOOBJLSA-N 1 2 327.472 3.388 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@]1(C)CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001110808753 1368003949 /nfs/dbraw/zinc/00/39/49/1368003949.db2.gz CUMSULDYAUGXNM-YJYMSZOUSA-N 1 2 330.476 3.089 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110888561 1368061175 /nfs/dbraw/zinc/06/11/75/1368061175.db2.gz JXIWALVKZJZCEA-QRVBRYPASA-N 1 2 337.467 3.382 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110888561 1368061179 /nfs/dbraw/zinc/06/11/79/1368061179.db2.gz JXIWALVKZJZCEA-QRVBRYPASA-N 1 2 337.467 3.382 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110897689 1368071842 /nfs/dbraw/zinc/07/18/42/1368071842.db2.gz SFJUXZQHYVBDQX-NXHRZFHOSA-N 1 2 341.430 3.131 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110897689 1368071848 /nfs/dbraw/zinc/07/18/48/1368071848.db2.gz SFJUXZQHYVBDQX-NXHRZFHOSA-N 1 2 341.430 3.131 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)cs1 ZINC001110899405 1368073589 /nfs/dbraw/zinc/07/35/89/1368073589.db2.gz ARVLYKAPMHSSBS-ZACQAIPSSA-N 1 2 345.512 3.257 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001110899405 1368073595 /nfs/dbraw/zinc/07/35/95/1368073595.db2.gz ARVLYKAPMHSSBS-ZACQAIPSSA-N 1 2 345.512 3.257 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001110900855 1368074215 /nfs/dbraw/zinc/07/42/15/1368074215.db2.gz UMVKKCIXMPFUFG-QRVBRYPASA-N 1 2 343.446 3.026 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001110900855 1368074217 /nfs/dbraw/zinc/07/42/17/1368074217.db2.gz UMVKKCIXMPFUFG-QRVBRYPASA-N 1 2 343.446 3.026 20 30 EGEDLO C=CCC1(C(=O)NC[C@@]2(C)CCCN(c3cc[nH+]c(C)n3)C2)CCC1 ZINC001110956256 1368122495 /nfs/dbraw/zinc/12/24/95/1368122495.db2.gz ZWGXMRMWNJCUJB-LJQANCHMSA-N 1 2 342.487 3.254 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)CCCCCC)C1 ZINC001193824179 1368122640 /nfs/dbraw/zinc/12/26/40/1368122640.db2.gz BVDWFNHLVRKOPF-AWEZNQCLSA-N 1 2 331.298 3.398 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)CCCCCC)C1 ZINC001193824179 1368122646 /nfs/dbraw/zinc/12/26/46/1368122646.db2.gz BVDWFNHLVRKOPF-AWEZNQCLSA-N 1 2 331.298 3.398 20 30 EGEDLO CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110968093 1368128688 /nfs/dbraw/zinc/12/86/88/1368128688.db2.gz UETRYFHPQMUOIU-KURKYZTESA-N 1 2 325.456 3.216 20 30 EGEDLO CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110968093 1368128691 /nfs/dbraw/zinc/12/86/91/1368128691.db2.gz UETRYFHPQMUOIU-KURKYZTESA-N 1 2 325.456 3.216 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001110988990 1368135453 /nfs/dbraw/zinc/13/54/53/1368135453.db2.gz BXNAOWQQIAVWAG-ZXFNITATSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001110988990 1368135455 /nfs/dbraw/zinc/13/54/55/1368135455.db2.gz BXNAOWQQIAVWAG-ZXFNITATSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccccc1CC)C2 ZINC001111350221 1368271378 /nfs/dbraw/zinc/27/13/78/1368271378.db2.gz MWWONOAIQPKCSU-ZACQAIPSSA-N 1 2 348.874 3.102 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccccc1CC)C2 ZINC001111350221 1368271382 /nfs/dbraw/zinc/27/13/82/1368271382.db2.gz MWWONOAIQPKCSU-ZACQAIPSSA-N 1 2 348.874 3.102 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1cc(C)[nH+]c(C2CC2)n1 ZINC001111382530 1368278882 /nfs/dbraw/zinc/27/88/82/1368278882.db2.gz VDRFCPQLDZWYKI-IRXDYDNUSA-N 1 2 340.471 3.198 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)[C@H](C)c3nc(C)no3)C2)CCCC1 ZINC001194567650 1368288259 /nfs/dbraw/zinc/28/82/59/1368288259.db2.gz MNQYPZLIEWCSTN-GDBMZVCRSA-N 1 2 346.475 3.108 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)[C@H](C)c3nc(C)no3)C2)CCCC1 ZINC001194567650 1368288264 /nfs/dbraw/zinc/28/82/64/1368288264.db2.gz MNQYPZLIEWCSTN-GDBMZVCRSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nc(C)[nH+]c(C)c1C ZINC001111393710 1368289653 /nfs/dbraw/zinc/28/96/53/1368289653.db2.gz XGVYDKVMFAMKKP-MSOLQXFVSA-N 1 2 342.487 3.328 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccc(C)c(C)c1)C2 ZINC001111400782 1368296553 /nfs/dbraw/zinc/29/65/53/1368296553.db2.gz SHCCTRLOTJBVMI-NXHRZFHOSA-N 1 2 348.874 3.156 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccc(C)c(C)c1)C2 ZINC001111400782 1368296560 /nfs/dbraw/zinc/29/65/60/1368296560.db2.gz SHCCTRLOTJBVMI-NXHRZFHOSA-N 1 2 348.874 3.156 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOCc1ccccc1)C2 ZINC001111420959 1368303714 /nfs/dbraw/zinc/30/37/14/1368303714.db2.gz AWSMVKKNLMUPRI-KURKYZTESA-N 1 2 348.874 3.067 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOCc1ccccc1)C2 ZINC001111420959 1368303717 /nfs/dbraw/zinc/30/37/17/1368303717.db2.gz AWSMVKKNLMUPRI-KURKYZTESA-N 1 2 348.874 3.067 20 30 EGEDLO Cc1nc(N[C@@H](C)c2ccc(CNC(=O)C#CC(C)C)cc2)cc[nH+]1 ZINC001111631610 1368393656 /nfs/dbraw/zinc/39/36/56/1368393656.db2.gz QFFLORRMQGHBOV-HNNXBMFYSA-N 1 2 336.439 3.234 20 30 EGEDLO CC(C)[C@H](C)CC(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001195201531 1368399746 /nfs/dbraw/zinc/39/97/46/1368399746.db2.gz VEQYJSSXKHTSOU-QGZVFWFLSA-N 1 2 327.472 3.275 20 30 EGEDLO CC(C)[C@H](C)CC(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001195201531 1368399749 /nfs/dbraw/zinc/39/97/49/1368399749.db2.gz VEQYJSSXKHTSOU-QGZVFWFLSA-N 1 2 327.472 3.275 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)CC1 ZINC001195644871 1368464108 /nfs/dbraw/zinc/46/41/08/1368464108.db2.gz BHDQERUPPQIEBH-UHFFFAOYSA-N 1 2 336.838 3.317 20 30 EGEDLO C#CCCCC(=O)N1CCC[N@H+](Cc2ccc(Cl)c(F)c2)CC1 ZINC001195644871 1368464110 /nfs/dbraw/zinc/46/41/10/1368464110.db2.gz BHDQERUPPQIEBH-UHFFFAOYSA-N 1 2 336.838 3.317 20 30 EGEDLO C=C[C@@H](C(=O)NCC1(Nc2cc[nH+]c(C)n2)CCC1)c1ccccc1 ZINC001111812100 1368476161 /nfs/dbraw/zinc/47/61/61/1368476161.db2.gz GPFKJXBXPCYGLO-QGZVFWFLSA-N 1 2 336.439 3.206 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cscn1)C2 ZINC001111850775 1368505146 /nfs/dbraw/zinc/50/51/46/1368505146.db2.gz RURXTMGIZFNCFY-MPGHIAIKSA-N 1 2 333.501 3.216 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cscn1)C2 ZINC001111850775 1368505148 /nfs/dbraw/zinc/50/51/48/1368505148.db2.gz RURXTMGIZFNCFY-MPGHIAIKSA-N 1 2 333.501 3.216 20 30 EGEDLO CC(C)CC1(C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)CC1 ZINC001196123936 1368552038 /nfs/dbraw/zinc/55/20/38/1368552038.db2.gz FZBIICWUNSLBCY-UHFFFAOYSA-N 1 2 345.512 3.480 20 30 EGEDLO CC(C)CC1(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)CC1 ZINC001196123936 1368552045 /nfs/dbraw/zinc/55/20/45/1368552045.db2.gz FZBIICWUNSLBCY-UHFFFAOYSA-N 1 2 345.512 3.480 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001112002136 1368607114 /nfs/dbraw/zinc/60/71/14/1368607114.db2.gz SUCOORAZVWMTKU-CQSZACIVSA-N 1 2 336.867 3.039 20 30 EGEDLO N#Cc1cccc(-c2cc(C(=O)NCc3c[nH+]cn3C3CCC3)no2)c1 ZINC001196774135 1368680943 /nfs/dbraw/zinc/68/09/43/1368680943.db2.gz AUEXNAMHMSODEP-UHFFFAOYSA-N 1 2 347.378 3.065 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2cc(F)ccc2OC)CC1 ZINC001196831959 1368693505 /nfs/dbraw/zinc/69/35/05/1368693505.db2.gz UXJZFZHJPBTSJV-HZPDHXFCSA-N 1 2 348.462 3.327 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2cc(F)ccc2OC)CC1 ZINC001196831959 1368693511 /nfs/dbraw/zinc/69/35/11/1368693511.db2.gz UXJZFZHJPBTSJV-HZPDHXFCSA-N 1 2 348.462 3.327 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001196852683 1368698775 /nfs/dbraw/zinc/69/87/75/1368698775.db2.gz CECZIPDWXWTHKY-HOTGVXAUSA-N 1 2 343.446 3.190 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001196852683 1368698778 /nfs/dbraw/zinc/69/87/78/1368698778.db2.gz CECZIPDWXWTHKY-HOTGVXAUSA-N 1 2 343.446 3.190 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001196853841 1368699808 /nfs/dbraw/zinc/69/98/08/1368699808.db2.gz MGCSMSRNETUDOH-ROUUACIJSA-N 1 2 342.458 3.170 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001196853841 1368699812 /nfs/dbraw/zinc/69/98/12/1368699812.db2.gz MGCSMSRNETUDOH-ROUUACIJSA-N 1 2 342.458 3.170 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@H+](Cc2cc(F)ccc2OC)CC1 ZINC001196896122 1368709100 /nfs/dbraw/zinc/70/91/00/1368709100.db2.gz XOKVWMCPJWXLIB-INIZCTEOSA-N 1 2 348.462 3.471 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@@H+](Cc2cc(F)ccc2OC)CC1 ZINC001196896122 1368709104 /nfs/dbraw/zinc/70/91/04/1368709104.db2.gz XOKVWMCPJWXLIB-INIZCTEOSA-N 1 2 348.462 3.471 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[N@H+](Cc2ccncc2Cl)CC1 ZINC001196901544 1368710807 /nfs/dbraw/zinc/71/08/07/1368710807.db2.gz ORBGJEIHAZXAFW-OAHLLOKOSA-N 1 2 335.879 3.372 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[N@@H+](Cc2ccncc2Cl)CC1 ZINC001196901544 1368710810 /nfs/dbraw/zinc/71/08/10/1368710810.db2.gz ORBGJEIHAZXAFW-OAHLLOKOSA-N 1 2 335.879 3.372 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001112381832 1368809433 /nfs/dbraw/zinc/80/94/33/1368809433.db2.gz VLDWSEJLMVMYJR-HOCLYGCPSA-N 1 2 330.476 3.108 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C[C@@H]1C ZINC001112404477 1368827228 /nfs/dbraw/zinc/82/72/28/1368827228.db2.gz BNHYUYFIOGITFU-DOTOQJQBSA-N 1 2 342.487 3.043 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C[C@@H]1C ZINC001112424824 1368840317 /nfs/dbraw/zinc/84/03/17/1368840317.db2.gz UFEKCGVDHXQULC-WMLDXEAASA-N 1 2 342.487 3.350 20 30 EGEDLO CC[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001197587436 1368846850 /nfs/dbraw/zinc/84/68/50/1368846850.db2.gz QVQSEGIFAWHDKQ-JKSUJKDBSA-N 1 2 345.462 3.414 20 30 EGEDLO CC[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001197587436 1368846854 /nfs/dbraw/zinc/84/68/54/1368846854.db2.gz QVQSEGIFAWHDKQ-JKSUJKDBSA-N 1 2 345.462 3.414 20 30 EGEDLO CC[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001197587432 1368846977 /nfs/dbraw/zinc/84/69/77/1368846977.db2.gz QVQSEGIFAWHDKQ-HOTGVXAUSA-N 1 2 345.462 3.414 20 30 EGEDLO CC[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001197587432 1368846982 /nfs/dbraw/zinc/84/69/82/1368846982.db2.gz QVQSEGIFAWHDKQ-HOTGVXAUSA-N 1 2 345.462 3.414 20 30 EGEDLO CC(C)C[C@@H](C)C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001197605897 1368853175 /nfs/dbraw/zinc/85/31/75/1368853175.db2.gz KKFPKUHITCEMEB-MRXNPFEDSA-N 1 2 345.462 3.414 20 30 EGEDLO CC(C)C[C@@H](C)C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001197605897 1368853182 /nfs/dbraw/zinc/85/31/82/1368853182.db2.gz KKFPKUHITCEMEB-MRXNPFEDSA-N 1 2 345.462 3.414 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C[C@@H]1C ZINC001112438533 1368853939 /nfs/dbraw/zinc/85/39/39/1368853939.db2.gz SJHULZWHJQKFGH-GUYCJALGSA-N 1 2 344.503 3.335 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@H](C)C1 ZINC001112476859 1368875258 /nfs/dbraw/zinc/87/52/58/1368875258.db2.gz OCKQSGXUXUOUJQ-GDBMZVCRSA-N 1 2 328.460 3.102 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H](C)C1 ZINC001112486659 1368883247 /nfs/dbraw/zinc/88/32/47/1368883247.db2.gz BDOFXNSUPYYCNA-RDJZCZTQSA-N 1 2 342.487 3.492 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@H](C)C1 ZINC001112495166 1368890834 /nfs/dbraw/zinc/89/08/34/1368890834.db2.gz OJPJJCMIUSFYAH-WBVHZDCISA-N 1 2 342.487 3.492 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001112631643 1368961377 /nfs/dbraw/zinc/96/13/77/1368961377.db2.gz HNYLLHSBYPPCNB-WBVHZDCISA-N 1 2 330.476 3.205 20 30 EGEDLO C#CCC1(C(=O)N2CCC[N@H+](Cc3cncs3)CC2)CCCCC1 ZINC001198315647 1369007587 /nfs/dbraw/zinc/00/75/87/1369007587.db2.gz BIXPSXMCBQCHSP-UHFFFAOYSA-N 1 2 345.512 3.151 20 30 EGEDLO C#CCC1(C(=O)N2CCC[N@@H+](Cc3cncs3)CC2)CCCCC1 ZINC001198315647 1369007593 /nfs/dbraw/zinc/00/75/93/1369007593.db2.gz BIXPSXMCBQCHSP-UHFFFAOYSA-N 1 2 345.512 3.151 20 30 EGEDLO CCCc1ccc(C[NH+]2CCN(C(=O)C#CC(C)(C)C)CC2)cc1 ZINC001112836932 1369036995 /nfs/dbraw/zinc/03/69/95/1369036995.db2.gz MQQMMXFXKFMJHH-UHFFFAOYSA-N 1 2 326.484 3.333 20 30 EGEDLO C=C(C)CCC(=O)N1CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC001112904111 1369082543 /nfs/dbraw/zinc/08/25/43/1369082543.db2.gz GBDDWEAOXKVIGY-UHFFFAOYSA-N 1 2 336.863 3.219 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)C(F)=C(C)C)c1ccccc1OC ZINC001198656676 1369084430 /nfs/dbraw/zinc/08/44/30/1369084430.db2.gz NOCSHEKGPOOGFM-AWEZNQCLSA-N 1 2 340.826 3.458 20 30 EGEDLO C#CCCCCC(=O)N[C@H](C)[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001112973901 1369118304 /nfs/dbraw/zinc/11/83/04/1369118304.db2.gz QRJZTNMENMRSOU-HUUCEWRRSA-N 1 2 342.487 3.163 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)c1cc(C)co1)c1ccccc1OC ZINC001198857639 1369132736 /nfs/dbraw/zinc/13/27/36/1369132736.db2.gz UELPPLXIXFMZAM-HNNXBMFYSA-N 1 2 348.830 3.410 20 30 EGEDLO CCCCCCCC[C@H](C)C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001198904552 1369145122 /nfs/dbraw/zinc/14/51/22/1369145122.db2.gz HORLDDDSMHPIPE-MCFZSSJYSA-N 1 2 344.927 3.287 20 30 EGEDLO CCCCCCCC[C@H](C)C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001198904552 1369145124 /nfs/dbraw/zinc/14/51/24/1369145124.db2.gz HORLDDDSMHPIPE-MCFZSSJYSA-N 1 2 344.927 3.287 20 30 EGEDLO C#CCCCCCC(=O)N1CC[NH+](CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC001113198087 1369258135 /nfs/dbraw/zinc/25/81/35/1369258135.db2.gz SKMTWBOIGGRLOP-WOJBJXKFSA-N 1 2 348.531 3.310 20 30 EGEDLO C=CC[C@H](C(=O)NC[C@@H](C)N(C)c1cc[nH+]c(C)n1)c1ccccc1 ZINC001113625370 1369527129 /nfs/dbraw/zinc/52/71/29/1369527129.db2.gz GWVRNMDDENYCOY-QAPCUYQASA-N 1 2 338.455 3.086 20 30 EGEDLO C=CCO[C@H](C)C(=O)N1CC[NH+]([C@@H](CC)c2ccc(F)cc2)CC1 ZINC001113713333 1369581676 /nfs/dbraw/zinc/58/16/76/1369581676.db2.gz ORSZQBWLSMJFDW-QAPCUYQASA-N 1 2 334.435 3.012 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2noc(C(C)C)n2)C12CCC2 ZINC001202979827 1369944759 /nfs/dbraw/zinc/94/47/59/1369944759.db2.gz QDJDYOLLBHBCPN-CABCVRRESA-N 1 2 346.475 3.066 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@@H]2C1 ZINC001114653859 1370007624 /nfs/dbraw/zinc/00/76/24/1370007624.db2.gz LNRRLDNLXYPOMM-FGTMMUONSA-N 1 2 342.487 3.089 20 30 EGEDLO C#CCCCCCC(=O)N1C[C@@H](CNc2cc[nH+]c(C)n2)C[C@H]1C ZINC001114698106 1370033730 /nfs/dbraw/zinc/03/37/30/1370033730.db2.gz WTWPKWAEHZTWON-NVXWUHKLSA-N 1 2 328.460 3.018 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001114719176 1370044554 /nfs/dbraw/zinc/04/45/54/1370044554.db2.gz BZAZYUOTMINUEL-XTDOFWJNSA-N 1 2 345.487 3.121 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001114719176 1370044557 /nfs/dbraw/zinc/04/45/57/1370044557.db2.gz BZAZYUOTMINUEL-XTDOFWJNSA-N 1 2 345.487 3.121 20 30 EGEDLO C=CCCC(=O)N1C[C@@]2(C)CN(c3nc(C)[nH+]c(C)c3C)C[C@@]2(C)C1 ZINC001114727476 1370049635 /nfs/dbraw/zinc/04/96/35/1370049635.db2.gz QLHNVPNICQNLDU-BGYRXZFFSA-N 1 2 342.487 3.043 20 30 EGEDLO CC(C)(C)OC(=O)N1CCCC12C[NH+](Cc1ccc(C#N)cc1)C2 ZINC001203900059 1370305781 /nfs/dbraw/zinc/30/57/81/1370305781.db2.gz PDKNHFNUUIPRIC-UHFFFAOYSA-N 1 2 327.428 3.144 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncc(C)cn3)C[C@H]21 ZINC001115163483 1370321822 /nfs/dbraw/zinc/32/18/22/1370321822.db2.gz HLXPAGMBAZHQNE-YRWFTTLQSA-N 1 2 344.503 3.082 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncc(C)cn3)C[C@H]21 ZINC001115163483 1370321825 /nfs/dbraw/zinc/32/18/25/1370321825.db2.gz HLXPAGMBAZHQNE-YRWFTTLQSA-N 1 2 344.503 3.082 20 30 EGEDLO COc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc(Br)c1O ZINC001204105684 1370378983 /nfs/dbraw/zinc/37/89/83/1370378983.db2.gz WXNMQGCAITUBTO-NSHDSACASA-N 1 2 339.233 3.289 20 30 EGEDLO COc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)cc(Br)c1O ZINC001204105684 1370378989 /nfs/dbraw/zinc/37/89/89/1370378989.db2.gz WXNMQGCAITUBTO-NSHDSACASA-N 1 2 339.233 3.289 20 30 EGEDLO OC[C@H]1C[N@H+](Cc2c(F)cccc2C(F)(F)F)C[C@@H]1C(F)(F)F ZINC001204462631 1370483237 /nfs/dbraw/zinc/48/32/37/1370483237.db2.gz ZSQZYSDWGGUJHC-KCJUWKMLSA-N 1 2 345.258 3.447 20 30 EGEDLO OC[C@H]1C[N@@H+](Cc2c(F)cccc2C(F)(F)F)C[C@@H]1C(F)(F)F ZINC001204462631 1370483243 /nfs/dbraw/zinc/48/32/43/1370483243.db2.gz ZSQZYSDWGGUJHC-KCJUWKMLSA-N 1 2 345.258 3.447 20 30 EGEDLO C=CCCC1(C(=O)N(C)[C@@H](CNc2cc[nH+]c(C)n2)C2CC2)CC1 ZINC001115574069 1370576888 /nfs/dbraw/zinc/57/68/88/1370576888.db2.gz OAWQNUVMKDZZNJ-INIZCTEOSA-N 1 2 328.460 3.180 20 30 EGEDLO C=CC(C)(C)C(=O)NCC1([NH2+]Cc2noc(CCC)n2)CCCCC1 ZINC001115666897 1370647853 /nfs/dbraw/zinc/64/78/53/1370647853.db2.gz ACDBOGIEJVNLPV-UHFFFAOYSA-N 1 2 348.491 3.143 20 30 EGEDLO C=CCCCCC[NH2+]CC1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001205349695 1370729244 /nfs/dbraw/zinc/72/92/44/1370729244.db2.gz OMWTUXBUEUTSET-AWEZNQCLSA-N 1 2 338.389 3.461 20 30 EGEDLO C=CCCCCC[NH2+]CC1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001205349695 1370729247 /nfs/dbraw/zinc/72/92/47/1370729247.db2.gz OMWTUXBUEUTSET-AWEZNQCLSA-N 1 2 338.389 3.461 20 30 EGEDLO N#Cc1cc(CN2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)ccc1F ZINC001205502102 1370774700 /nfs/dbraw/zinc/77/47/00/1370774700.db2.gz DWSMOGPZZJGPKX-KRWDZBQOSA-N 1 2 337.389 3.393 20 30 EGEDLO CS(=O)(=O)c1ccc(N[NH+]=Cc2ccccc2N2CCCC2)cc1 ZINC001115838930 1370796437 /nfs/dbraw/zinc/79/64/37/1370796437.db2.gz ASXQXKRTAJCGEZ-UHFFFAOYSA-N 1 2 343.452 3.136 20 30 EGEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC001206659320 1371124635 /nfs/dbraw/zinc/12/46/35/1371124635.db2.gz JMHKIZRDQLRIQK-FIXISWKDSA-N 1 2 340.254 3.090 20 30 EGEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC001206659320 1371124637 /nfs/dbraw/zinc/12/46/37/1371124637.db2.gz JMHKIZRDQLRIQK-FIXISWKDSA-N 1 2 340.254 3.090 20 30 EGEDLO COc1cccc(-c2ccc(C[NH+]3CCOCC3)cc2F)c1C#N ZINC001206712263 1371142611 /nfs/dbraw/zinc/14/26/11/1371142611.db2.gz GGLAZFTVLUGOSA-UHFFFAOYSA-N 1 2 326.371 3.205 20 30 EGEDLO N#Cc1ncnc2ccc(-c3ccc(C[NH+]4CCOCC4)cc3F)cc12 ZINC001206719109 1371144780 /nfs/dbraw/zinc/14/47/80/1371144780.db2.gz BVLATJMRPNDOHT-UHFFFAOYSA-N 1 2 348.381 3.140 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001207172342 1371320800 /nfs/dbraw/zinc/32/08/00/1371320800.db2.gz XMCNQGXOJWLMNM-NVXWUHKLSA-N 1 2 332.492 3.003 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001207172342 1371320805 /nfs/dbraw/zinc/32/08/05/1371320805.db2.gz XMCNQGXOJWLMNM-NVXWUHKLSA-N 1 2 332.492 3.003 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2nc3c(o2)CCCC3)C[C@H]1C ZINC001207172339 1371320914 /nfs/dbraw/zinc/32/09/14/1371320914.db2.gz XISIEBCSXPCOOS-GDBMZVCRSA-N 1 2 345.487 3.092 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2nc3c(o2)CCCC3)C[C@H]1C ZINC001207172339 1371320919 /nfs/dbraw/zinc/32/09/19/1371320919.db2.gz XISIEBCSXPCOOS-GDBMZVCRSA-N 1 2 345.487 3.092 20 30 EGEDLO CN(C)c1cc[nH+]c(CNc2nccc(Oc3cccc(C#N)c3)n2)c1 ZINC001187624158 1388132883 /nfs/dbraw/zinc/13/28/83/1388132883.db2.gz AELJYSHORGKGKB-UHFFFAOYSA-N 1 2 346.394 3.214 20 30 EGEDLO CC[C@H](C)CC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187691290 1388144438 /nfs/dbraw/zinc/14/44/38/1388144438.db2.gz XOPUWSIOLBWGHF-URLQWDBASA-N 1 2 343.446 3.166 20 30 EGEDLO CC[C@H](C)CC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187691290 1388144440 /nfs/dbraw/zinc/14/44/40/1388144440.db2.gz XOPUWSIOLBWGHF-URLQWDBASA-N 1 2 343.446 3.166 20 30 EGEDLO COc1ccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1C#N ZINC001208406133 1371756686 /nfs/dbraw/zinc/75/66/86/1371756686.db2.gz WVSIWCUYFWOFKK-UHFFFAOYSA-N 1 2 347.378 3.074 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ncc(C(C)C)o3)C[C@H]2C)CCC1 ZINC001208517357 1371797784 /nfs/dbraw/zinc/79/77/84/1371797784.db2.gz GOJFICDLWNNJDB-HZPDHXFCSA-N 1 2 345.487 3.481 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ncc(C(C)C)o3)C[C@H]2C)CCC1 ZINC001208517357 1371797787 /nfs/dbraw/zinc/79/77/87/1371797787.db2.gz GOJFICDLWNNJDB-HZPDHXFCSA-N 1 2 345.487 3.481 20 30 EGEDLO C=C(C)CCC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001121037577 1371839624 /nfs/dbraw/zinc/83/96/24/1371839624.db2.gz MSPIJVFLNXBNBE-FUHWJXTLSA-N 1 2 336.863 3.184 20 30 EGEDLO C=C(C)CCC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001121037577 1371839628 /nfs/dbraw/zinc/83/96/28/1371839628.db2.gz MSPIJVFLNXBNBE-FUHWJXTLSA-N 1 2 336.863 3.184 20 30 EGEDLO CCOC(=O)c1ccc(CCC[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)cc1 ZINC001208866780 1371924763 /nfs/dbraw/zinc/92/47/63/1371924763.db2.gz WMBFALQVWWMUEN-KRWDZBQOSA-N 1 2 345.464 3.070 20 30 EGEDLO CCOC(=O)c1ccc(CCC[N@H+]2CC[C@@H]3SC(=O)C=C3C2)cc1 ZINC001208866780 1371924766 /nfs/dbraw/zinc/92/47/66/1371924766.db2.gz WMBFALQVWWMUEN-KRWDZBQOSA-N 1 2 345.464 3.070 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ncc(C(C)C)o2)C[C@H]1C ZINC001208954357 1371962235 /nfs/dbraw/zinc/96/22/35/1371962235.db2.gz JMUTZMJZCSFNSI-HUUCEWRRSA-N 1 2 333.476 3.337 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C(C)C)o2)C[C@H]1C ZINC001208954357 1371962241 /nfs/dbraw/zinc/96/22/41/1371962241.db2.gz JMUTZMJZCSFNSI-HUUCEWRRSA-N 1 2 333.476 3.337 20 30 EGEDLO C[NH+]1CCN(c2c(F)cccc2NC2=CC(=O)CC(C)(C)C2)CC1 ZINC001210155183 1372283723 /nfs/dbraw/zinc/28/37/23/1372283723.db2.gz DQPDVKQGWQALNO-UHFFFAOYSA-N 1 2 331.435 3.262 20 30 EGEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCCC2(CC2)C1 ZINC001122626321 1372286586 /nfs/dbraw/zinc/28/65/86/1372286586.db2.gz RMGDIUFYUIAUFC-UHFFFAOYSA-N 1 2 329.492 3.221 20 30 EGEDLO Cc1cc(C#N)ccc1Nc1cc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c(C)n1 ZINC001210375272 1372336599 /nfs/dbraw/zinc/33/65/99/1372336599.db2.gz PDXKRUVTGRYMPC-ZIAGYGMSSA-N 1 2 337.427 3.322 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@H]1C ZINC001123091732 1372378280 /nfs/dbraw/zinc/37/82/80/1372378280.db2.gz ZDKXHXTVNBRWOT-WBVHZDCISA-N 1 2 340.471 3.257 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)[C@H]1C ZINC001123097797 1372379289 /nfs/dbraw/zinc/37/92/89/1372379289.db2.gz GSVYKBSYHBRWMJ-PBHICJAKSA-N 1 2 342.487 3.421 20 30 EGEDLO C=C(C)CCC(=O)N[C@]12CCC[C@@H]1N(c1nc(C)[nH+]c(C)c1C)CC2 ZINC001123438396 1372468846 /nfs/dbraw/zinc/46/88/46/1372468846.db2.gz HKZPJOOHHGCLHY-PXNSSMCTSA-N 1 2 342.487 3.376 20 30 EGEDLO C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)C1CC1 ZINC001211384060 1372546282 /nfs/dbraw/zinc/54/62/82/1372546282.db2.gz IFOKAVGRUNCVEX-PJIJBLCYSA-N 1 2 343.446 3.070 20 30 EGEDLO C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)C1CC1 ZINC001211384060 1372546284 /nfs/dbraw/zinc/54/62/84/1372546284.db2.gz IFOKAVGRUNCVEX-PJIJBLCYSA-N 1 2 343.446 3.070 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([NH2+][C@@H](C)c3nnc(C)o3)C2)CCCCC1 ZINC001188052833 1388228928 /nfs/dbraw/zinc/22/89/28/1388228928.db2.gz JLOREDIIGBNRQT-GOEBONIOSA-N 1 2 346.475 3.156 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H](CNc2cc[nH+]c(C)n2)C(C)(C)C)CC1 ZINC001126091664 1372931859 /nfs/dbraw/zinc/93/18/59/1372931859.db2.gz ORFREYJXYUJUEO-INIZCTEOSA-N 1 2 330.476 3.474 20 30 EGEDLO C=C(C)CCC(=O)NCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001127704363 1373165267 /nfs/dbraw/zinc/16/52/67/1373165267.db2.gz UAJHXYGMIUVINS-UHFFFAOYSA-N 1 2 328.460 3.011 20 30 EGEDLO C=CCCC(=O)NCc1cnn2c1C[N@H+]([C@H](C)c1ccccc1)CC2 ZINC001128251203 1373241036 /nfs/dbraw/zinc/24/10/36/1373241036.db2.gz UCZIDONOEZEGBM-MRXNPFEDSA-N 1 2 338.455 3.042 20 30 EGEDLO C=CCCC(=O)NCc1cnn2c1C[N@@H+]([C@H](C)c1ccccc1)CC2 ZINC001128251203 1373241047 /nfs/dbraw/zinc/24/10/47/1373241047.db2.gz UCZIDONOEZEGBM-MRXNPFEDSA-N 1 2 338.455 3.042 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)C3CC=CC3)c2C1 ZINC001128268387 1373244256 /nfs/dbraw/zinc/24/42/56/1373244256.db2.gz BSGSUUOCMSURHR-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)C3CC=CC3)c2C1 ZINC001128268387 1373244259 /nfs/dbraw/zinc/24/42/59/1373244259.db2.gz BSGSUUOCMSURHR-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCc1cnn2c1C[N@H+](CCCCCC)CC2 ZINC001128448679 1373268973 /nfs/dbraw/zinc/26/89/73/1373268973.db2.gz UUFMSMVHSVHAGR-IRXDYDNUSA-N 1 2 346.519 3.353 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCc1cnn2c1C[N@@H+](CCCCCC)CC2 ZINC001128448679 1373268974 /nfs/dbraw/zinc/26/89/74/1373268974.db2.gz UUFMSMVHSVHAGR-IRXDYDNUSA-N 1 2 346.519 3.353 20 30 EGEDLO COc1cc[nH+]cc1Nc1ccc(OC2CCOCC2)c(C#N)c1 ZINC001216664159 1373328196 /nfs/dbraw/zinc/32/81/96/1373328196.db2.gz JQJHGZIZAVVIAI-UHFFFAOYSA-N 1 2 325.368 3.263 20 30 EGEDLO Cc1cc(C)c(CNC(=O)c2cc(-c3cccc(C#N)c3)no2)c[nH+]1 ZINC001129841617 1373428425 /nfs/dbraw/zinc/42/84/25/1373428425.db2.gz IZOJNLSSZJFMQC-UHFFFAOYSA-N 1 2 332.363 3.155 20 30 EGEDLO N#Cc1ccc(-c2ccc(Cl)cc2)nc1O[C@@H]1C[NH2+]CC1(F)F ZINC001218238081 1373580968 /nfs/dbraw/zinc/58/09/68/1373580968.db2.gz YXTNLHXRWNPAJH-CQSZACIVSA-N 1 2 335.741 3.260 20 30 EGEDLO Cc1cc(NC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)ncc1C#N ZINC001219692621 1373726242 /nfs/dbraw/zinc/72/62/42/1373726242.db2.gz QQDBEKDPHGBETB-QGZVFWFLSA-N 1 2 346.394 3.021 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001131971004 1375075923 /nfs/dbraw/zinc/07/59/23/1375075923.db2.gz ALQGXONKTPEHOW-RDJZCZTQSA-N 1 2 347.890 3.398 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cccc(Cl)n2)C1 ZINC001131971004 1375075927 /nfs/dbraw/zinc/07/59/27/1375075927.db2.gz ALQGXONKTPEHOW-RDJZCZTQSA-N 1 2 347.890 3.398 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC001132015879 1375099244 /nfs/dbraw/zinc/09/92/44/1375099244.db2.gz ARDXHJRDHZTFAA-KSSFIOAISA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC001132015879 1375099249 /nfs/dbraw/zinc/09/92/49/1375099249.db2.gz ARDXHJRDHZTFAA-KSSFIOAISA-N 1 2 334.410 3.093 20 30 EGEDLO Cc1nc(C[N@H+]2C[C@H](NC(=O)C#CC(C)(C)C)CC[C@H]2C)c(C)s1 ZINC001132033456 1375108363 /nfs/dbraw/zinc/10/83/63/1375108363.db2.gz GPCBUIWMAAFECB-CZUORRHYSA-N 1 2 347.528 3.279 20 30 EGEDLO Cc1nc(C[N@@H+]2C[C@H](NC(=O)C#CC(C)(C)C)CC[C@H]2C)c(C)s1 ZINC001132033456 1375108365 /nfs/dbraw/zinc/10/83/65/1375108365.db2.gz GPCBUIWMAAFECB-CZUORRHYSA-N 1 2 347.528 3.279 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1ccc(F)cc1F ZINC001132035176 1375109415 /nfs/dbraw/zinc/10/94/15/1375109415.db2.gz YLRJHTOYMOSFLF-WMLDXEAASA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1ccc(F)cc1F ZINC001132035176 1375109419 /nfs/dbraw/zinc/10/94/19/1375109419.db2.gz YLRJHTOYMOSFLF-WMLDXEAASA-N 1 2 348.437 3.483 20 30 EGEDLO C=CCCOCCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=C)Cl)C1 ZINC001132037853 1375110451 /nfs/dbraw/zinc/11/04/51/1375110451.db2.gz IZWUFRGFBWOJCK-IRXDYDNUSA-N 1 2 342.911 3.471 20 30 EGEDLO C=CCCOCCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=C)Cl)C1 ZINC001132037853 1375110457 /nfs/dbraw/zinc/11/04/57/1375110457.db2.gz IZWUFRGFBWOJCK-IRXDYDNUSA-N 1 2 342.911 3.471 20 30 EGEDLO C[C@H](Oc1ccc(C#N)cc1F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226049380 1375195919 /nfs/dbraw/zinc/19/59/19/1375195919.db2.gz PMNVFNBRLWTRLK-MGPUTAFESA-N 1 2 340.398 3.366 20 30 EGEDLO C[C@H](Oc1ccc(C#N)cc1F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226049380 1375195922 /nfs/dbraw/zinc/19/59/22/1375195922.db2.gz PMNVFNBRLWTRLK-MGPUTAFESA-N 1 2 340.398 3.366 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=C)Br)C1 ZINC001132255645 1375249392 /nfs/dbraw/zinc/24/93/92/1375249392.db2.gz CQSJYWHQLSQZLG-KGLIPLIRSA-N 1 2 329.282 3.220 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=C)Br)C1 ZINC001132255645 1375249398 /nfs/dbraw/zinc/24/93/98/1375249398.db2.gz CQSJYWHQLSQZLG-KGLIPLIRSA-N 1 2 329.282 3.220 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3ccn(CC)n3)C2)CC1 ZINC001132279610 1375263333 /nfs/dbraw/zinc/26/33/33/1375263333.db2.gz ZYBYJWXCFZSISV-SJORKVTESA-N 1 2 344.503 3.119 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3ccn(CC)n3)C2)CC1 ZINC001132279610 1375263334 /nfs/dbraw/zinc/26/33/34/1375263334.db2.gz ZYBYJWXCFZSISV-SJORKVTESA-N 1 2 344.503 3.119 20 30 EGEDLO Cc1cc(C#N)cc(C)c1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226522255 1375274812 /nfs/dbraw/zinc/27/48/12/1375274812.db2.gz VCKADSSKYWVEIK-HXUWFJFHSA-N 1 2 336.435 3.455 20 30 EGEDLO Cc1cc(C#N)cc(C)c1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226522255 1375274815 /nfs/dbraw/zinc/27/48/15/1375274815.db2.gz VCKADSSKYWVEIK-HXUWFJFHSA-N 1 2 336.435 3.455 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2ccc3ccc(=O)cc-3[nH]2)C1 ZINC001226910408 1375355710 /nfs/dbraw/zinc/35/57/10/1375355710.db2.gz ZXWMHDACVOWWGV-LJQANCHMSA-N 1 2 345.402 3.465 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccc3ccc(=O)cc-3[nH]2)C1 ZINC001226910408 1375355712 /nfs/dbraw/zinc/35/57/12/1375355712.db2.gz ZXWMHDACVOWWGV-LJQANCHMSA-N 1 2 345.402 3.465 20 30 EGEDLO C#CCCCC(=O)NC1CC[NH+](Cc2csc(CCCC)n2)CC1 ZINC001227108392 1375391266 /nfs/dbraw/zinc/39/12/66/1375391266.db2.gz PABHQCOTEXEZQG-UHFFFAOYSA-N 1 2 347.528 3.370 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(C(C)C)n1 ZINC001228112413 1375519238 /nfs/dbraw/zinc/51/92/38/1375519238.db2.gz JXXXIMOYZFKNSD-ARFHVFGLSA-N 1 2 348.491 3.312 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NC1CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC001228760824 1375668341 /nfs/dbraw/zinc/66/83/41/1375668341.db2.gz PGPFOBQDJCXXEG-GJZGRUSLSA-N 1 2 345.487 3.092 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC1CC[NH+]([C@H](C)c2nc(C3CC3)no2)CC1 ZINC001228801399 1375682189 /nfs/dbraw/zinc/68/21/89/1375682189.db2.gz NLBFHHGPRBMGTD-ZIAGYGMSSA-N 1 2 346.475 3.191 20 30 EGEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(Cl)cc3C(F)(F)F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228935944 1375721285 /nfs/dbraw/zinc/72/12/85/1375721285.db2.gz LTYLPSLSGLSSDL-LSVRBPJHSA-N 1 2 333.737 3.350 20 30 EGEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(Cl)cc3C(F)(F)F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228935944 1375721294 /nfs/dbraw/zinc/72/12/94/1375721294.db2.gz LTYLPSLSGLSSDL-LSVRBPJHSA-N 1 2 333.737 3.350 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3csc(CC)n3)C[C@H]21 ZINC001188897044 1388404191 /nfs/dbraw/zinc/40/41/91/1388404191.db2.gz RDBZNYXYHGSXHV-YQQAZPJKSA-N 1 2 347.528 3.341 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](Cc3csc(CC)n3)C[C@H]21 ZINC001188897044 1388404193 /nfs/dbraw/zinc/40/41/93/1388404193.db2.gz RDBZNYXYHGSXHV-YQQAZPJKSA-N 1 2 347.528 3.341 20 30 EGEDLO Cc1nc(O[C@@H]2CCOC[C@@H]2C)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229767772 1375889930 /nfs/dbraw/zinc/88/99/30/1375889930.db2.gz GXTZVCWBWRRZTR-SCLBCKFNSA-N 1 2 348.406 3.380 20 30 EGEDLO C=CC[C@@H](C=C)Oc1nc(=O)[nH]c2c1CC[N@H+](Cc1ccccc1)C2 ZINC001230186010 1375959180 /nfs/dbraw/zinc/95/91/80/1375959180.db2.gz JTPKVJCUTNAGHH-MRXNPFEDSA-N 1 2 337.423 3.250 20 30 EGEDLO C=CC[C@@H](C=C)Oc1nc(=O)[nH]c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001230186010 1375959184 /nfs/dbraw/zinc/95/91/84/1375959184.db2.gz JTPKVJCUTNAGHH-MRXNPFEDSA-N 1 2 337.423 3.250 20 30 EGEDLO C=CCC1(C(=O)NC2CC[NH+](Cc3ccn(CC)n3)CC2)CCCC1 ZINC001230475190 1376034290 /nfs/dbraw/zinc/03/42/90/1376034290.db2.gz BLIDYAMXLHFYFP-UHFFFAOYSA-N 1 2 344.503 3.120 20 30 EGEDLO C=C(Cl)C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1C1CC1)Cc1cccnc1 ZINC001230867110 1376170031 /nfs/dbraw/zinc/17/00/31/1376170031.db2.gz IYUGBPLXESUTNL-ZWKOTPCHSA-N 1 2 347.890 3.189 20 30 EGEDLO C=C(Cl)C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1C1CC1)Cc1cccnc1 ZINC001230867110 1376170050 /nfs/dbraw/zinc/17/00/50/1376170050.db2.gz IYUGBPLXESUTNL-ZWKOTPCHSA-N 1 2 347.890 3.189 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F)C(=O)/C=C\C(C)(C)C ZINC001231285212 1376220631 /nfs/dbraw/zinc/22/06/31/1376220631.db2.gz ZMFYDAYLGAOHON-NBEHIINDSA-N 1 2 343.446 3.332 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1cc(C#N)ccc1F)C(=O)/C=C\C(C)(C)C ZINC001231285212 1376220634 /nfs/dbraw/zinc/22/06/34/1376220634.db2.gz ZMFYDAYLGAOHON-NBEHIINDSA-N 1 2 343.446 3.332 20 30 EGEDLO CCC[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC001231310951 1376226718 /nfs/dbraw/zinc/22/67/18/1376226718.db2.gz DVZHKPDFUZQREY-QAPCUYQASA-N 1 2 343.471 3.036 20 30 EGEDLO CCC[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(C#N)ccc1OC ZINC001231310951 1376226726 /nfs/dbraw/zinc/22/67/26/1376226726.db2.gz DVZHKPDFUZQREY-QAPCUYQASA-N 1 2 343.471 3.036 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(OCC)nc1)CCO2 ZINC001231653774 1376294672 /nfs/dbraw/zinc/29/46/72/1376294672.db2.gz WVCCTJVBLCWQOG-AZUAARDMSA-N 1 2 346.471 3.054 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccc(OCC)nc1)CCO2 ZINC001231653774 1376294676 /nfs/dbraw/zinc/29/46/76/1376294676.db2.gz WVCCTJVBLCWQOG-AZUAARDMSA-N 1 2 346.471 3.054 20 30 EGEDLO Cc1c(F)cc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc1F ZINC001232419696 1376458507 /nfs/dbraw/zinc/45/85/07/1376458507.db2.gz KKNINYWKCFCHEQ-UHFFFAOYSA-N 1 2 327.378 3.467 20 30 EGEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)c1 ZINC001232679818 1376500829 /nfs/dbraw/zinc/50/08/29/1376500829.db2.gz SKBMAAONOROKJD-HNNXBMFYSA-N 1 2 330.334 3.195 20 30 EGEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)c1 ZINC001232679818 1376500834 /nfs/dbraw/zinc/50/08/34/1376500834.db2.gz SKBMAAONOROKJD-HNNXBMFYSA-N 1 2 330.334 3.195 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2cc(C#N)ccc2O)CC1(C)C ZINC001232679769 1376500897 /nfs/dbraw/zinc/50/08/97/1376500897.db2.gz RTUJQEAPQIAIGH-UHFFFAOYSA-N 1 2 345.443 3.095 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2cc(C#N)ccc2O)CC1(C)C ZINC001232679769 1376500900 /nfs/dbraw/zinc/50/09/00/1376500900.db2.gz RTUJQEAPQIAIGH-UHFFFAOYSA-N 1 2 345.443 3.095 20 30 EGEDLO Cc1ccc(C[N@H+](C)C[C@H]2CN(Cc3ccccc3)CCO2)c(C#N)c1 ZINC001232968606 1376550307 /nfs/dbraw/zinc/55/03/07/1376550307.db2.gz KJCOWKPOUCDHLS-QFIPXVFZSA-N 1 2 349.478 3.200 20 30 EGEDLO Cc1ccc(C[N@@H+](C)C[C@H]2CN(Cc3ccccc3)CCO2)c(C#N)c1 ZINC001232968606 1376550312 /nfs/dbraw/zinc/55/03/12/1376550312.db2.gz KJCOWKPOUCDHLS-QFIPXVFZSA-N 1 2 349.478 3.200 20 30 EGEDLO CCOC(=O)c1cc2c(s1)CC[N@H+](Cc1ccc(C#N)cc1O)C2 ZINC001233386469 1376633617 /nfs/dbraw/zinc/63/36/17/1376633617.db2.gz VHJOWQVJHZIWDG-UHFFFAOYSA-N 1 2 342.420 3.060 20 30 EGEDLO CCOC(=O)c1cc2c(s1)CC[N@@H+](Cc1ccc(C#N)cc1O)C2 ZINC001233386469 1376633621 /nfs/dbraw/zinc/63/36/21/1376633621.db2.gz VHJOWQVJHZIWDG-UHFFFAOYSA-N 1 2 342.420 3.060 20 30 EGEDLO CCC(=CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F)CC ZINC001233645492 1376690169 /nfs/dbraw/zinc/69/01/69/1376690169.db2.gz ZSMYPHBXKFSOJK-GOSISDBHSA-N 1 2 343.446 3.476 20 30 EGEDLO CCC(=CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(C#N)ccc1F)CC ZINC001233645492 1376690176 /nfs/dbraw/zinc/69/01/76/1376690176.db2.gz ZSMYPHBXKFSOJK-GOSISDBHSA-N 1 2 343.446 3.476 20 30 EGEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)c1ccc(F)c(F)c1 ZINC001234128896 1376772446 /nfs/dbraw/zinc/77/24/46/1376772446.db2.gz FLNLDODCENRPOG-GDBMZVCRSA-N 1 2 334.410 3.218 20 30 EGEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)c1ccc(F)c(F)c1 ZINC001234128896 1376772455 /nfs/dbraw/zinc/77/24/55/1376772455.db2.gz FLNLDODCENRPOG-GDBMZVCRSA-N 1 2 334.410 3.218 20 30 EGEDLO CC/C(C)=C/C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001234141438 1376777336 /nfs/dbraw/zinc/77/73/36/1376777336.db2.gz OPHQKGKUQKMBEC-RKCSUWQLSA-N 1 2 329.419 3.086 20 30 EGEDLO CC/C(C)=C/C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001234141438 1376777339 /nfs/dbraw/zinc/77/73/39/1376777339.db2.gz OPHQKGKUQKMBEC-RKCSUWQLSA-N 1 2 329.419 3.086 20 30 EGEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H]1CCc2c1c(F)ccc2F ZINC001234163093 1376781432 /nfs/dbraw/zinc/78/14/32/1376781432.db2.gz XPAANTZFVICYSQ-RDTXWAMCSA-N 1 2 346.421 3.144 20 30 EGEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H]1CCc2c1c(F)ccc2F ZINC001234163093 1376781442 /nfs/dbraw/zinc/78/14/42/1376781442.db2.gz XPAANTZFVICYSQ-RDTXWAMCSA-N 1 2 346.421 3.144 20 30 EGEDLO C[C@]1(C#N)CCN(Cc2ccc(-n3cc[nH+]c3)c(Br)c2)C1 ZINC001235040330 1376838796 /nfs/dbraw/zinc/83/87/96/1376838796.db2.gz WAHSOCPVSOILSP-MRXNPFEDSA-N 1 2 345.244 3.370 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nnsc1Cl ZINC001135181709 1376954367 /nfs/dbraw/zinc/95/43/67/1376954367.db2.gz UIYVJSRZQGTFHF-GHMZBOCLSA-N 1 2 344.912 3.167 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nnsc1Cl ZINC001135561831 1377145566 /nfs/dbraw/zinc/14/55/66/1377145566.db2.gz UOARULGDFZMLLM-GHMZBOCLSA-N 1 2 344.912 3.167 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1nsc2ccccc21)C1CC1 ZINC001266595149 1377341685 /nfs/dbraw/zinc/34/16/85/1377341685.db2.gz ZMYBZBFGKSJQEP-UHFFFAOYSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1nsc2ccccc21)C1CC1 ZINC001266595149 1377341687 /nfs/dbraw/zinc/34/16/87/1377341687.db2.gz ZMYBZBFGKSJQEP-UHFFFAOYSA-N 1 2 335.860 3.243 20 30 EGEDLO COc1ccc(C[NH+](CCOC(C)C)CCOC(C)C)c(C#N)c1 ZINC001137703658 1377599584 /nfs/dbraw/zinc/59/95/84/1377599584.db2.gz SZFIKGVODVEYLT-UHFFFAOYSA-N 1 2 334.460 3.219 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1scnc1Cl)C2 ZINC001137820962 1377622186 /nfs/dbraw/zinc/62/21/86/1377622186.db2.gz BGUZSOUOFCJURE-IUODEOHRSA-N 1 2 328.865 3.123 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1scnc1Cl)C2 ZINC001137820962 1377622187 /nfs/dbraw/zinc/62/21/87/1377622187.db2.gz BGUZSOUOFCJURE-IUODEOHRSA-N 1 2 328.865 3.123 20 30 EGEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3cc(F)cc(F)c3F)CC2)nc1 ZINC001137873889 1377635039 /nfs/dbraw/zinc/63/50/39/1377635039.db2.gz XUDSVXAWCIGWQQ-UHFFFAOYSA-N 1 2 346.356 3.083 20 30 EGEDLO N#Cc1ccc(N2CCC[N@H+](Cc3cc(F)cc(F)c3F)CC2)nc1 ZINC001137873889 1377635044 /nfs/dbraw/zinc/63/50/44/1377635044.db2.gz XUDSVXAWCIGWQQ-UHFFFAOYSA-N 1 2 346.356 3.083 20 30 EGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2c(cc1Br)OCO2 ZINC001138184890 1377688666 /nfs/dbraw/zinc/68/86/66/1377688666.db2.gz HEAKQRSXSVGNFY-UOJUARBOSA-N 1 2 349.228 3.444 20 30 EGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2c(cc1Br)OCO2 ZINC001138184890 1377688667 /nfs/dbraw/zinc/68/86/67/1377688667.db2.gz HEAKQRSXSVGNFY-UOJUARBOSA-N 1 2 349.228 3.444 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC001138675862 1377766583 /nfs/dbraw/zinc/76/65/83/1377766583.db2.gz OSKSYKMINOWFMV-AWEZNQCLSA-N 1 2 326.799 3.356 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC001138675862 1377766585 /nfs/dbraw/zinc/76/65/85/1377766585.db2.gz OSKSYKMINOWFMV-AWEZNQCLSA-N 1 2 326.799 3.356 20 30 EGEDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+](CCC#N)C1CCCC1 ZINC001139128381 1377834483 /nfs/dbraw/zinc/83/44/83/1377834483.db2.gz SOGSUSZNMLSBDJ-UHFFFAOYSA-N 1 2 326.396 3.465 20 30 EGEDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+](CCC#N)C1CCCC1 ZINC001139128381 1377834489 /nfs/dbraw/zinc/83/44/89/1377834489.db2.gz SOGSUSZNMLSBDJ-UHFFFAOYSA-N 1 2 326.396 3.465 20 30 EGEDLO C[N@H+](Cc1ccc(Oc2ccc(C#N)cc2)nc1)Cc1cncnc1 ZINC001139428349 1377882865 /nfs/dbraw/zinc/88/28/65/1377882865.db2.gz BSFXJEJZOYPHHV-UHFFFAOYSA-N 1 2 331.379 3.168 20 30 EGEDLO C[N@@H+](Cc1ccc(Oc2ccc(C#N)cc2)nc1)Cc1cncnc1 ZINC001139428349 1377882872 /nfs/dbraw/zinc/88/28/72/1377882872.db2.gz BSFXJEJZOYPHHV-UHFFFAOYSA-N 1 2 331.379 3.168 20 30 EGEDLO Cc1cncnc1O[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139693279 1377936329 /nfs/dbraw/zinc/93/63/29/1377936329.db2.gz XJCIUHSHRNOTNT-OAHLLOKOSA-N 1 2 342.830 3.354 20 30 EGEDLO Cc1cncnc1O[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139693279 1377936331 /nfs/dbraw/zinc/93/63/31/1377936331.db2.gz XJCIUHSHRNOTNT-OAHLLOKOSA-N 1 2 342.830 3.354 20 30 EGEDLO COc1ccc(CN2CC[NH+](Cc3ccc(C)c(C#N)c3)CC2)cc1 ZINC001139724392 1377941627 /nfs/dbraw/zinc/94/16/27/1377941627.db2.gz QZMGATPNNMVXDE-UHFFFAOYSA-N 1 2 335.451 3.193 20 30 EGEDLO C=CCn1cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C(C)C)cn1 ZINC001139768414 1377948345 /nfs/dbraw/zinc/94/83/45/1377948345.db2.gz PDETWUXCPRECOH-KRWDZBQOSA-N 1 2 348.491 3.146 20 30 EGEDLO C=CCn1cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C(C)C)cn1 ZINC001139768414 1377948346 /nfs/dbraw/zinc/94/83/46/1377948346.db2.gz PDETWUXCPRECOH-KRWDZBQOSA-N 1 2 348.491 3.146 20 30 EGEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2ncc(C)s2)CC1 ZINC001139814130 1377955681 /nfs/dbraw/zinc/95/56/81/1377955681.db2.gz YGDMYRUDFKVYNK-UHFFFAOYSA-N 1 2 343.452 3.375 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2c[nH]c3ccc(C#N)cc23)CC1 ZINC001140112016 1378010484 /nfs/dbraw/zinc/01/04/84/1378010484.db2.gz PAGKLPZQCDDUAR-UHFFFAOYSA-N 1 2 340.427 3.092 20 30 EGEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2c[nH]c3cccc(Cl)c23)CC1 ZINC001140447196 1378064681 /nfs/dbraw/zinc/06/46/81/1378064681.db2.gz SMMFIZZTRZBTDN-UHFFFAOYSA-N 1 2 345.830 3.490 20 30 EGEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2Cl)C[C@@]1(O)C(F)(F)F ZINC001140599883 1378094242 /nfs/dbraw/zinc/09/42/42/1378094242.db2.gz VKWRUDHABCKEBR-YGRLFVJLSA-N 1 2 332.753 3.347 20 30 EGEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2Cl)C[C@@]1(O)C(F)(F)F ZINC001140599883 1378094244 /nfs/dbraw/zinc/09/42/44/1378094244.db2.gz VKWRUDHABCKEBR-YGRLFVJLSA-N 1 2 332.753 3.347 20 30 EGEDLO N#Cc1c(F)cc(C[N@H+]2CCCC[C@@](O)(C(F)(F)F)C2)cc1F ZINC001140752054 1378129726 /nfs/dbraw/zinc/12/97/26/1378129726.db2.gz FUQVJRMHAHVWDC-AWEZNQCLSA-N 1 2 334.288 3.116 20 30 EGEDLO N#Cc1c(F)cc(C[N@@H+]2CCCC[C@@](O)(C(F)(F)F)C2)cc1F ZINC001140752054 1378129728 /nfs/dbraw/zinc/12/97/28/1378129728.db2.gz FUQVJRMHAHVWDC-AWEZNQCLSA-N 1 2 334.288 3.116 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@]12CC[N@H+](Cc1ccc(F)cc1C#N)C2 ZINC001141163392 1378255638 /nfs/dbraw/zinc/25/56/38/1378255638.db2.gz CZWMGSIKAWXXMD-LJQANCHMSA-N 1 2 345.418 3.283 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@]12CC[N@@H+](Cc1ccc(F)cc1C#N)C2 ZINC001141163392 1378255641 /nfs/dbraw/zinc/25/56/41/1378255641.db2.gz CZWMGSIKAWXXMD-LJQANCHMSA-N 1 2 345.418 3.283 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@]2(C1)CCCCO2 ZINC001141810479 1378381210 /nfs/dbraw/zinc/38/12/10/1378381210.db2.gz ZJECJCAUVRITMJ-INIZCTEOSA-N 1 2 335.245 3.466 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001141810479 1378381211 /nfs/dbraw/zinc/38/12/11/1378381211.db2.gz ZJECJCAUVRITMJ-INIZCTEOSA-N 1 2 335.245 3.466 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCCC[C@](O)(CF)C1 ZINC001141807687 1378381326 /nfs/dbraw/zinc/38/13/26/1378381326.db2.gz YVNGPQYQSPTNQI-HNNXBMFYSA-N 1 2 341.224 3.007 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCCC[C@](O)(CF)C1 ZINC001141807687 1378381327 /nfs/dbraw/zinc/38/13/27/1378381327.db2.gz YVNGPQYQSPTNQI-HNNXBMFYSA-N 1 2 341.224 3.007 20 30 EGEDLO CCn1cc2c(n1)C[N@@H+](Cc1c[nH]c3cc(C#N)ccc13)C[C@H]2COC ZINC001142916486 1378508302 /nfs/dbraw/zinc/50/83/02/1378508302.db2.gz TVPRACGVGSVBDE-INIZCTEOSA-N 1 2 349.438 3.002 20 30 EGEDLO CCn1cc2c(n1)C[N@H+](Cc1c[nH]c3cc(C#N)ccc13)C[C@H]2COC ZINC001142916486 1378508303 /nfs/dbraw/zinc/50/83/03/1378508303.db2.gz TVPRACGVGSVBDE-INIZCTEOSA-N 1 2 349.438 3.002 20 30 EGEDLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001143538175 1378611963 /nfs/dbraw/zinc/61/19/63/1378611963.db2.gz JNBVMFYTKJLBPO-LLVKDONJSA-N 1 2 347.230 3.223 20 30 EGEDLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001143538175 1378611967 /nfs/dbraw/zinc/61/19/67/1378611967.db2.gz JNBVMFYTKJLBPO-LLVKDONJSA-N 1 2 347.230 3.223 20 30 EGEDLO Cc1cccc(N2CCN(Cc3c(Cl)cccc3C#N)CC2)[nH+]1 ZINC001143716396 1378638191 /nfs/dbraw/zinc/63/81/91/1378638191.db2.gz OFZDXFGFSBPJRL-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO COc1ccc(-c2ncc(C[NH+]3CC(CC#N)C3)s2)cc1OC ZINC001144058130 1378676182 /nfs/dbraw/zinc/67/61/82/1378676182.db2.gz VTGIQRCXEPIACC-UHFFFAOYSA-N 1 2 329.425 3.173 20 30 EGEDLO CCCC[N@H+](CCC#N)Cc1cc(I)c[nH]1 ZINC001144404543 1378726734 /nfs/dbraw/zinc/72/67/34/1378726734.db2.gz ZOLWUDBYWXLMBR-UHFFFAOYSA-N 1 2 331.201 3.135 20 30 EGEDLO CCCC[N@@H+](CCC#N)Cc1cc(I)c[nH]1 ZINC001144404543 1378726738 /nfs/dbraw/zinc/72/67/38/1378726738.db2.gz ZOLWUDBYWXLMBR-UHFFFAOYSA-N 1 2 331.201 3.135 20 30 EGEDLO CC/C=C(\C)C(=O)N1CC2(C1)CC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001147106087 1378969369 /nfs/dbraw/zinc/96/93/69/1378969369.db2.gz LRTXYXHVXHZUBW-SYZQJQIISA-N 1 2 341.430 3.088 20 30 EGEDLO CC/C=C(\C)C(=O)N1CC2(C1)CC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001147106087 1378969374 /nfs/dbraw/zinc/96/93/74/1378969374.db2.gz LRTXYXHVXHZUBW-SYZQJQIISA-N 1 2 341.430 3.088 20 30 EGEDLO C=CCCC1(C(=O)N2CC3(C2)CC[N@@H+](Cc2ncc(CC)o2)C3)CC1 ZINC001148262967 1379140579 /nfs/dbraw/zinc/14/05/79/1379140579.db2.gz ROJRJZWZWHTZKT-UHFFFAOYSA-N 1 2 343.471 3.018 20 30 EGEDLO C=CCCC1(C(=O)N2CC3(C2)CC[N@H+](Cc2ncc(CC)o2)C3)CC1 ZINC001148262967 1379140584 /nfs/dbraw/zinc/14/05/84/1379140584.db2.gz ROJRJZWZWHTZKT-UHFFFAOYSA-N 1 2 343.471 3.018 20 30 EGEDLO C=CCCCCC[N@@H+]1CCC2(CN(C(=O)c3cc(C4CC4)[nH]n3)C2)C1 ZINC001148320619 1379151640 /nfs/dbraw/zinc/15/16/40/1379151640.db2.gz FKWRXIZCPOTWAU-UHFFFAOYSA-N 1 2 342.487 3.181 20 30 EGEDLO C=CCCCCC[N@H+]1CCC2(CN(C(=O)c3cc(C4CC4)[nH]n3)C2)C1 ZINC001148320619 1379151642 /nfs/dbraw/zinc/15/16/42/1379151642.db2.gz FKWRXIZCPOTWAU-UHFFFAOYSA-N 1 2 342.487 3.181 20 30 EGEDLO CCCCCCCCC(=O)NCC[NH2+]Cc1nc(-c2ccoc2)no1 ZINC001148728088 1379254777 /nfs/dbraw/zinc/25/47/77/1379254777.db2.gz UYDFZRXRRTYKCD-UHFFFAOYSA-N 1 2 348.447 3.286 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C2(CC(C)C)CCC2)C1 ZINC001149966531 1379475884 /nfs/dbraw/zinc/47/58/84/1379475884.db2.gz LPOPANFXUBGUOM-INIZCTEOSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C2(CC(C)C)CCC2)C1 ZINC001149966531 1379475889 /nfs/dbraw/zinc/47/58/89/1379475889.db2.gz LPOPANFXUBGUOM-INIZCTEOSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1C[N@H+](CC=C(Cl)Cl)CCCO1 ZINC001150141246 1379501327 /nfs/dbraw/zinc/50/13/27/1379501327.db2.gz YVSJZBDCQYNHBW-KGLIPLIRSA-N 1 2 349.302 3.115 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1C[N@@H+](CC=C(Cl)Cl)CCCO1 ZINC001150141246 1379501328 /nfs/dbraw/zinc/50/13/28/1379501328.db2.gz YVSJZBDCQYNHBW-KGLIPLIRSA-N 1 2 349.302 3.115 20 30 EGEDLO CCCCCCCC[C@@H](C)C(=O)NCC[NH2+]Cc1csnn1 ZINC001151848464 1379798848 /nfs/dbraw/zinc/79/88/48/1379798848.db2.gz LQWARZGMACZQPS-CQSZACIVSA-N 1 2 326.510 3.131 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C2CC2)o1 ZINC001152867114 1379988129 /nfs/dbraw/zinc/98/81/29/1379988129.db2.gz IIWARFLFHLNXMV-OAHLLOKOSA-N 1 2 331.460 3.072 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C2CC2)o1 ZINC001152867114 1379988131 /nfs/dbraw/zinc/98/81/31/1379988131.db2.gz IIWARFLFHLNXMV-OAHLLOKOSA-N 1 2 331.460 3.072 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)C(C)C ZINC001153571313 1380095579 /nfs/dbraw/zinc/09/55/79/1380095579.db2.gz XNYRFHNHTKQBNP-CYBMUJFWSA-N 1 2 333.314 3.404 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C(C)C ZINC001153571313 1380095584 /nfs/dbraw/zinc/09/55/84/1380095584.db2.gz XNYRFHNHTKQBNP-CYBMUJFWSA-N 1 2 333.314 3.404 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C(C)(C)C ZINC001154025038 1380183298 /nfs/dbraw/zinc/18/32/98/1380183298.db2.gz FMCOKELUOICAES-CHWSQXEVSA-N 1 2 333.314 3.404 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C(C)(C)C ZINC001154025038 1380183300 /nfs/dbraw/zinc/18/33/00/1380183300.db2.gz FMCOKELUOICAES-CHWSQXEVSA-N 1 2 333.314 3.404 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(Cl)n1C ZINC001155067195 1380402423 /nfs/dbraw/zinc/40/24/23/1380402423.db2.gz VAOYEVYCXANHPK-DYVFJYSZSA-N 1 2 340.899 3.002 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(Cl)n1C ZINC001155067195 1380402426 /nfs/dbraw/zinc/40/24/26/1380402426.db2.gz VAOYEVYCXANHPK-DYVFJYSZSA-N 1 2 340.899 3.002 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2coc(C)n2)CCCC1 ZINC001157370059 1380855547 /nfs/dbraw/zinc/85/55/47/1380855547.db2.gz OHVPRDDSVVXSGR-OAHLLOKOSA-N 1 2 333.476 3.446 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2coc(C)n2)CCCC1 ZINC001157370059 1380855548 /nfs/dbraw/zinc/85/55/48/1380855548.db2.gz OHVPRDDSVVXSGR-OAHLLOKOSA-N 1 2 333.476 3.446 20 30 EGEDLO Cc1c[nH+]c(NCCc2ccc(Br)cn2)c(/C=N/O)c1 ZINC001157523250 1380955389 /nfs/dbraw/zinc/95/53/89/1380955389.db2.gz CBZJCVXJQMCMON-UFWORHAWSA-N 1 2 335.205 3.010 20 30 EGEDLO C=CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@H](C)c1nc(C2CC2)no1 ZINC001157661875 1380993199 /nfs/dbraw/zinc/99/31/99/1380993199.db2.gz MQPHYRHXNIXTEC-GDBMZVCRSA-N 1 2 346.475 3.287 20 30 EGEDLO C=CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@H](C)c1nc(C2CC2)no1 ZINC001157661875 1380993204 /nfs/dbraw/zinc/99/32/04/1380993204.db2.gz MQPHYRHXNIXTEC-GDBMZVCRSA-N 1 2 346.475 3.287 20 30 EGEDLO N#Cc1ccc(C(F)(F)NCCc2cn3ccccc3[nH+]2)nc1Cl ZINC001158142908 1381140331 /nfs/dbraw/zinc/14/03/31/1381140331.db2.gz XSUUYDYCYIIIGC-UHFFFAOYSA-N 1 2 347.756 3.136 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccn(CC)n1 ZINC001158369459 1381220191 /nfs/dbraw/zinc/22/01/91/1381220191.db2.gz FQFOFAJDGNAMKJ-IEBWSBKVSA-N 1 2 346.519 3.318 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccn(CC)n1 ZINC001158369459 1381220195 /nfs/dbraw/zinc/22/01/95/1381220195.db2.gz FQFOFAJDGNAMKJ-IEBWSBKVSA-N 1 2 346.519 3.318 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nccn1CC ZINC001158370105 1381222045 /nfs/dbraw/zinc/22/20/45/1381222045.db2.gz OZMNHNFIJWOEHR-QZTJIDSGSA-N 1 2 346.519 3.318 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nccn1CC ZINC001158370105 1381222050 /nfs/dbraw/zinc/22/20/50/1381222050.db2.gz OZMNHNFIJWOEHR-QZTJIDSGSA-N 1 2 346.519 3.318 20 30 EGEDLO COC(=O)C1(C#N)CCN(c2[nH+]ccc3cc(Cl)ccc32)CC1 ZINC001158690587 1381355844 /nfs/dbraw/zinc/35/58/44/1381355844.db2.gz YAEAYSMXWKGABT-UHFFFAOYSA-N 1 2 329.787 3.171 20 30 EGEDLO C=CCCC(=O)NCCC1=CC[N@H+]([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC001159539013 1381821727 /nfs/dbraw/zinc/82/17/27/1381821727.db2.gz XFZJNWLCAMXFPE-HNNXBMFYSA-N 1 2 346.475 3.359 20 30 EGEDLO C=CCCC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC001159539013 1381821731 /nfs/dbraw/zinc/82/17/31/1381821731.db2.gz XFZJNWLCAMXFPE-HNNXBMFYSA-N 1 2 346.475 3.359 20 30 EGEDLO C=CCCC(=O)NCCC1=CC[N@H+](Cc2ncc(C(C)C)o2)CC1 ZINC001159544432 1381823521 /nfs/dbraw/zinc/82/35/21/1381823521.db2.gz PIEZXVBZCZLTAY-UHFFFAOYSA-N 1 2 331.460 3.403 20 30 EGEDLO C=CCCC(=O)NCCC1=CC[N@@H+](Cc2ncc(C(C)C)o2)CC1 ZINC001159544432 1381823523 /nfs/dbraw/zinc/82/35/23/1381823523.db2.gz PIEZXVBZCZLTAY-UHFFFAOYSA-N 1 2 331.460 3.403 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@H+]([C@H](C)c2ncccn2)CC1 ZINC001160242121 1382045633 /nfs/dbraw/zinc/04/56/33/1382045633.db2.gz DZRHFSAEOJYAOV-MRXNPFEDSA-N 1 2 342.487 3.278 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@@H+]([C@H](C)c2ncccn2)CC1 ZINC001160242121 1382045634 /nfs/dbraw/zinc/04/56/34/1382045634.db2.gz DZRHFSAEOJYAOV-MRXNPFEDSA-N 1 2 342.487 3.278 20 30 EGEDLO COC(=O)c1ccc2cc[nH+]c(NCCOc3ccc(C#N)cc3)c2c1 ZINC001160280645 1382060089 /nfs/dbraw/zinc/06/00/89/1382060089.db2.gz CBQXZTCALUFHEV-UHFFFAOYSA-N 1 2 347.374 3.384 20 30 EGEDLO N#Cc1cc(Nc2ccc(O[C@@H]3CC[NH2+]CC3(F)F)cc2)ccc1N ZINC001160349708 1382079616 /nfs/dbraw/zinc/07/96/16/1382079616.db2.gz VWGKJPFPUOTEAI-QGZVFWFLSA-N 1 2 344.365 3.260 20 30 EGEDLO C[C@H]1CC(=O)C=C(Nc2ccc(O[C@@H]3CC[NH2+]CC3(F)F)cc2)C1 ZINC001160350682 1382080211 /nfs/dbraw/zinc/08/02/11/1382080211.db2.gz OUJSCPURWCSAFH-SJKOYZFVSA-N 1 2 336.382 3.357 20 30 EGEDLO N#Cc1cc(Nc2ccc(O[C@H]3CC[NH2+]CC3(F)F)cc2)ccc1N ZINC001160349705 1382080287 /nfs/dbraw/zinc/08/02/87/1382080287.db2.gz VWGKJPFPUOTEAI-KRWDZBQOSA-N 1 2 344.365 3.260 20 30 EGEDLO CC(C)(C)C#CCNc1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001160393111 1382091852 /nfs/dbraw/zinc/09/18/52/1382091852.db2.gz PQLLOQIWSUXBPW-UHFFFAOYSA-N 1 2 334.467 3.496 20 30 EGEDLO CC(C)(C)C#CCNc1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001160393111 1382091858 /nfs/dbraw/zinc/09/18/58/1382091858.db2.gz PQLLOQIWSUXBPW-UHFFFAOYSA-N 1 2 334.467 3.496 20 30 EGEDLO N#Cc1ccc2cc[nH+]c(NC[C@H]3CN(c4ccccc4)CCO3)c2c1 ZINC001160575383 1382146031 /nfs/dbraw/zinc/14/60/31/1382146031.db2.gz GSYGXGMGFGZXME-IBGZPJMESA-N 1 2 344.418 3.424 20 30 EGEDLO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1[nH]cc[nH+]1 ZINC001292747121 1382210987 /nfs/dbraw/zinc/21/09/87/1382210987.db2.gz WAGGMZFBGZYBCB-UHFFFAOYSA-N 1 2 346.390 3.350 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@H+]([C@@H](C)c2nc(CC)no2)CC1 ZINC001160915135 1382232850 /nfs/dbraw/zinc/23/28/50/1382232850.db2.gz LHDXBSDERCMHMH-AWEZNQCLSA-N 1 2 346.475 3.044 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nc(CC)no2)CC1 ZINC001160915135 1382232852 /nfs/dbraw/zinc/23/28/52/1382232852.db2.gz LHDXBSDERCMHMH-AWEZNQCLSA-N 1 2 346.475 3.044 20 30 EGEDLO C=C1CC(C)(C(=O)NCCC2=CC[N@H+](Cc3nc(C)c(C)o3)CC2)C1 ZINC001161178366 1382327610 /nfs/dbraw/zinc/32/76/10/1382327610.db2.gz OXHGCZMYCSFQNZ-UHFFFAOYSA-N 1 2 343.471 3.286 20 30 EGEDLO C=C1CC(C)(C(=O)NCCC2=CC[N@@H+](Cc3nc(C)c(C)o3)CC2)C1 ZINC001161178366 1382327613 /nfs/dbraw/zinc/32/76/13/1382327613.db2.gz OXHGCZMYCSFQNZ-UHFFFAOYSA-N 1 2 343.471 3.286 20 30 EGEDLO N#Cc1ccc2cc[nH+]c(NCC3CCN(c4cnccn4)CC3)c2c1 ZINC001161302549 1382365213 /nfs/dbraw/zinc/36/52/13/1382365213.db2.gz MEPFDWUSEFKFSO-UHFFFAOYSA-N 1 2 344.422 3.225 20 30 EGEDLO Cc1c(Cl)c(Cl)nc(NC2CN(c3cccc[nH+]3)C2)c1C#N ZINC001161319632 1382369913 /nfs/dbraw/zinc/36/99/13/1382369913.db2.gz WPEKOMSWKFKGTA-UHFFFAOYSA-N 1 2 334.210 3.264 20 30 EGEDLO N#Cc1ccc2cc[nH+]c(NCc3ccc4c(c3)NC(=O)CO4)c2c1 ZINC001163093731 1382963664 /nfs/dbraw/zinc/96/36/64/1382963664.db2.gz ISPYLKFCICVQIC-UHFFFAOYSA-N 1 2 330.347 3.049 20 30 EGEDLO CCOC(=O)c1c[nH]c2cc(N(CCC#N)Cc3cccnc3)[nH+]cc21 ZINC001164010149 1383146509 /nfs/dbraw/zinc/14/65/09/1383146509.db2.gz JKZKZSXYATUMSO-UHFFFAOYSA-N 1 2 349.394 3.055 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCC[NH2+]Cc1noc(C2CCCCC2)n1 ZINC001164223935 1383167866 /nfs/dbraw/zinc/16/78/66/1383167866.db2.gz YIWWFHAATWGSPH-CABCVRRESA-N 1 2 348.491 3.171 20 30 EGEDLO N#CCc1cc[nH+]c(N2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)c1 ZINC001165806313 1383347764 /nfs/dbraw/zinc/34/77/64/1383347764.db2.gz JMLHEDTYNSQGIB-XLIONFOSSA-N 1 2 334.423 3.228 20 30 EGEDLO N#CCc1ccc[nH+]c1NC1CCN(C(=O)Nc2ccccc2)CC1 ZINC001168933854 1384065932 /nfs/dbraw/zinc/06/59/32/1384065932.db2.gz MQAWFDXAZVUXEW-UHFFFAOYSA-N 1 2 335.411 3.256 20 30 EGEDLO Cc1cc2c[nH+]c(NC3=C(Cl)C(=O)c4ccccc4C3=O)nc2[nH]1 ZINC001169045720 1384099263 /nfs/dbraw/zinc/09/92/63/1384099263.db2.gz OKXUUBSOOGSOFS-UHFFFAOYSA-N 1 2 338.754 3.159 20 30 EGEDLO N#CC1(c2ccccc2)CCC([N@@H+]2C[C@H](CO)CC(F)(F)C2)CC1 ZINC001170378401 1384303170 /nfs/dbraw/zinc/30/31/70/1384303170.db2.gz ABGYZULVGORKEP-FAEJEUNOSA-N 1 2 334.410 3.340 20 30 EGEDLO N#CC1(c2ccccc2)CCC([N@H+]2C[C@H](CO)CC(F)(F)C2)CC1 ZINC001170378401 1384303172 /nfs/dbraw/zinc/30/31/72/1384303172.db2.gz ABGYZULVGORKEP-FAEJEUNOSA-N 1 2 334.410 3.340 20 30 EGEDLO N#Cc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c(F)c1 ZINC001335744306 1388918026 /nfs/dbraw/zinc/91/80/26/1388918026.db2.gz WZISYBXGURDLOK-UHFFFAOYSA-N 1 2 344.415 3.392 20 30 EGEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCc2c(C)cccc2C1 ZINC001171563083 1384563797 /nfs/dbraw/zinc/56/37/97/1384563797.db2.gz DHZGRTFMZJWKQK-TZIWHRDSSA-N 1 2 348.446 3.098 20 30 EGEDLO CC(C)(C)OC(=O)C1CCC([N@@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001171924934 1384684863 /nfs/dbraw/zinc/68/48/63/1384684863.db2.gz XIXGMCYODWZOIT-PESDSKBTSA-N 1 2 337.485 3.161 20 30 EGEDLO CC(C)(C)OC(=O)C1CCC([N@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001171924934 1384684867 /nfs/dbraw/zinc/68/48/67/1384684867.db2.gz XIXGMCYODWZOIT-PESDSKBTSA-N 1 2 337.485 3.161 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H]1CCC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001316949592 1384722010 /nfs/dbraw/zinc/72/20/10/1384722010.db2.gz VSEABIYOVBJKSF-ZBFHGGJFSA-N 1 2 331.460 3.235 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC001316949592 1384722012 /nfs/dbraw/zinc/72/20/12/1384722012.db2.gz VSEABIYOVBJKSF-ZBFHGGJFSA-N 1 2 331.460 3.235 20 30 EGEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C1 ZINC001172320649 1384769407 /nfs/dbraw/zinc/76/94/07/1384769407.db2.gz XNTSWHIBUNHERU-RRQGHBQHSA-N 1 2 347.434 3.036 20 30 EGEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C1 ZINC001172320649 1384769412 /nfs/dbraw/zinc/76/94/12/1384769412.db2.gz XNTSWHIBUNHERU-RRQGHBQHSA-N 1 2 347.434 3.036 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H]1CNC(=O)CCC(C)C ZINC001317163774 1384927385 /nfs/dbraw/zinc/92/73/85/1384927385.db2.gz AKJVIBQZVWNBOL-AWEZNQCLSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(=O)CCC(C)C ZINC001317163774 1384927389 /nfs/dbraw/zinc/92/73/89/1384927389.db2.gz AKJVIBQZVWNBOL-AWEZNQCLSA-N 1 2 331.298 3.302 20 30 EGEDLO N#Cc1ccc(F)cc1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001174432602 1385108028 /nfs/dbraw/zinc/10/80/28/1385108028.db2.gz WGDFSLHABOMFSF-UHFFFAOYSA-N 1 2 341.386 3.152 20 30 EGEDLO Cc1ccccc1C(C)(C)C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001317473139 1385168504 /nfs/dbraw/zinc/16/85/04/1385168504.db2.gz QCHOXEQMZMOKCP-UHFFFAOYSA-N 1 2 349.478 3.393 20 30 EGEDLO Cc1ccccc1C(C)(C)C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001317473139 1385168505 /nfs/dbraw/zinc/16/85/05/1385168505.db2.gz QCHOXEQMZMOKCP-UHFFFAOYSA-N 1 2 349.478 3.393 20 30 EGEDLO N#Cc1cnn(-c2ccccc2)c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175349401 1385261770 /nfs/dbraw/zinc/26/17/70/1385261770.db2.gz OSODXGDPHCRNMG-UHFFFAOYSA-N 1 2 330.395 3.483 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)CC(C)(C)C2CC2)C1 ZINC001318399842 1385672195 /nfs/dbraw/zinc/67/21/95/1385672195.db2.gz JRSOIVIBLSZPDD-CQSZACIVSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)CC(C)(C)C2CC2)C1 ZINC001318399842 1385672199 /nfs/dbraw/zinc/67/21/99/1385672199.db2.gz JRSOIVIBLSZPDD-CQSZACIVSA-N 1 2 343.309 3.254 20 30 EGEDLO C=CCC1(C(=O)NCCC[NH2+][C@@H](C)c2noc(C)n2)CCCCC1 ZINC001176791006 1385700535 /nfs/dbraw/zinc/70/05/35/1385700535.db2.gz WAXRAYOWFYCRPW-AWEZNQCLSA-N 1 2 334.464 3.062 20 30 EGEDLO Cc1cc(C#N)c(F)cc1NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176967675 1385757019 /nfs/dbraw/zinc/75/70/19/1385757019.db2.gz TYRIVZULGRJJBI-AWEZNQCLSA-N 1 2 338.386 3.256 20 30 EGEDLO C=CCn1cnn(C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c1=S ZINC001318618567 1385799223 /nfs/dbraw/zinc/79/92/23/1385799223.db2.gz YVUXYGOQYCPZNX-HNNXBMFYSA-N 1 2 332.448 3.261 20 30 EGEDLO C=CCn1cnn(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c1=S ZINC001318618567 1385799226 /nfs/dbraw/zinc/79/92/26/1385799226.db2.gz YVUXYGOQYCPZNX-HNNXBMFYSA-N 1 2 332.448 3.261 20 30 EGEDLO CN(CC(=O)Nc1cccc(C#C[Si](C)(C)C)c1)c1cccc[nH+]1 ZINC001177413032 1385947982 /nfs/dbraw/zinc/94/79/82/1385947982.db2.gz KYTSCJRGRXMBTJ-UHFFFAOYSA-N 1 2 337.499 3.385 20 30 EGEDLO N#Cc1ccc(-c2ccccc2NC(=O)[C@H]2CCc3[nH+]ccn3C2)nc1 ZINC001178118027 1386134675 /nfs/dbraw/zinc/13/46/75/1386134675.db2.gz NQURKQKEHPPPKW-HNNXBMFYSA-N 1 2 343.390 3.018 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2nc(C3CC3)no2)[C@@H]1C ZINC001178791549 1386305710 /nfs/dbraw/zinc/30/57/10/1386305710.db2.gz HJPOPMAOGKVMIP-YDHLFZDLSA-N 1 2 346.475 3.189 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001182841824 1387233865 /nfs/dbraw/zinc/23/38/65/1387233865.db2.gz VQRWIZJHWYVSEJ-MRXNPFEDSA-N 1 2 329.444 3.011 20 30 EGEDLO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)NC1=CC(=O)CCC1 ZINC001182938995 1387249305 /nfs/dbraw/zinc/24/93/05/1387249305.db2.gz VWPMDKRUMGHYMP-UHFFFAOYSA-N 1 2 348.446 3.442 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)N(C)c1nnc([C@H]2CCCC[N@@H+]2C)n1C ZINC001338580444 1389710740 /nfs/dbraw/zinc/71/07/40/1389710740.db2.gz TZPQNNSSLUFHCW-RHSMWYFYSA-N 1 2 338.459 3.041 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)N(C)c1nnc([C@H]2CCCC[N@H+]2C)n1C ZINC001338580444 1389710746 /nfs/dbraw/zinc/71/07/46/1389710746.db2.gz TZPQNNSSLUFHCW-RHSMWYFYSA-N 1 2 338.459 3.041 20 30 EGEDLO C=CCn1c([C@@H]2C[C@@H]2C)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001338930990 1389828167 /nfs/dbraw/zinc/82/81/67/1389828167.db2.gz ORFYUNJPSUVBGG-GOEBONIOSA-N 1 2 338.459 3.063 20 30 EGEDLO C=CCn1c([C@H]2C[C@@H]2C)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001338930991 1389828701 /nfs/dbraw/zinc/82/87/01/1389828701.db2.gz ORFYUNJPSUVBGG-HOCLYGCPSA-N 1 2 338.459 3.063 20 30 EGEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1C[C@@H](C)c2ccccc21 ZINC001339091553 1389895642 /nfs/dbraw/zinc/89/56/42/1389895642.db2.gz XGYBBXGAPTVLKL-CQSZACIVSA-N 1 2 334.427 3.044 20 30 EGEDLO C=CCC[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001339280687 1389972167 /nfs/dbraw/zinc/97/21/67/1389972167.db2.gz KJVXFUPJMFRISD-HNNXBMFYSA-N 1 2 340.383 3.351 20 30 EGEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC2(CCCC2)C1 ZINC001339567527 1390070321 /nfs/dbraw/zinc/07/03/21/1390070321.db2.gz MVXIZSQMEJUJBS-UHFFFAOYSA-N 1 2 329.492 3.221 20 30 EGEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@H]1C1CCC1 ZINC001340297097 1390267116 /nfs/dbraw/zinc/26/71/16/1390267116.db2.gz JISGBOJISYFDOT-KRWDZBQOSA-N 1 2 329.492 3.219 20 30 EGEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@H](C)c1cccs1 ZINC001340595371 1390324308 /nfs/dbraw/zinc/32/43/08/1390324308.db2.gz YJNZUYYTJCZSNN-CYBMUJFWSA-N 1 2 342.472 3.047 20 30 EGEDLO C=CC[C@@H]1CCCN(c2nnc([C@H]3CCC[N@H+]3C)n2CC(=C)C)C1 ZINC001341902735 1390547415 /nfs/dbraw/zinc/54/74/15/1390547415.db2.gz JYCMIYYTKXIAIN-IAGOWNOFSA-N 1 2 329.492 3.413 20 30 EGEDLO C=CC[C@@H]1CCCN(c2nnc([C@H]3CCC[N@@H+]3C)n2CC(=C)C)C1 ZINC001341902735 1390547417 /nfs/dbraw/zinc/54/74/17/1390547417.db2.gz JYCMIYYTKXIAIN-IAGOWNOFSA-N 1 2 329.492 3.413 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC[C@](C)(OC)CC1 ZINC001342005724 1390560857 /nfs/dbraw/zinc/56/08/57/1390560857.db2.gz UQHFZBIIGBNSHX-LPHOPBHVSA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC[C@](C)(OC)CC1 ZINC001342005724 1390560859 /nfs/dbraw/zinc/56/08/59/1390560859.db2.gz UQHFZBIIGBNSHX-LPHOPBHVSA-N 1 2 347.507 3.016 20 30 EGEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)C[C@H](C)CC ZINC001342307235 1390599113 /nfs/dbraw/zinc/59/91/13/1390599113.db2.gz ZWZCAANXRMOCKF-MRXNPFEDSA-N 1 2 344.507 3.039 20 30 EGEDLO C[C@@H](COc1cccc(C#N)c1)OC(=O)C[N@H+](C)Cc1ccccc1 ZINC001342583279 1390628926 /nfs/dbraw/zinc/62/89/26/1390628926.db2.gz LGXQRBTXUFWJOH-INIZCTEOSA-N 1 2 338.407 3.001 20 30 EGEDLO C[C@@H](COc1cccc(C#N)c1)OC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001342583279 1390628927 /nfs/dbraw/zinc/62/89/27/1390628927.db2.gz LGXQRBTXUFWJOH-INIZCTEOSA-N 1 2 338.407 3.001 20 30 EGEDLO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)OCc2ccnc(C#N)c2)c1 ZINC001342643583 1390635642 /nfs/dbraw/zinc/63/56/42/1390635642.db2.gz SEPDGYLTZCJBST-HXUWFJFHSA-N 1 2 349.434 3.360 20 30 EGEDLO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)OCc2ccnc(C#N)c2)c1 ZINC001342643583 1390635644 /nfs/dbraw/zinc/63/56/44/1390635644.db2.gz SEPDGYLTZCJBST-HXUWFJFHSA-N 1 2 349.434 3.360 20 30 EGEDLO CC(C)[N@@H+]1CCC[C@H]1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 ZINC001343273378 1390703943 /nfs/dbraw/zinc/70/39/43/1390703943.db2.gz HIRFRORVMYSUTB-JSGCOSHPSA-N 1 2 331.416 3.484 20 30 EGEDLO CC(C)[N@H+]1CCC[C@H]1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 ZINC001343273378 1390703946 /nfs/dbraw/zinc/70/39/46/1390703946.db2.gz HIRFRORVMYSUTB-JSGCOSHPSA-N 1 2 331.416 3.484 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(CCC#N)CCC(C)C ZINC001343457590 1390715329 /nfs/dbraw/zinc/71/53/29/1390715329.db2.gz PMFWRIJJFCCWRF-KRWDZBQOSA-N 1 2 344.507 3.387 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(CCC#N)CCC(C)C ZINC001343457590 1390715330 /nfs/dbraw/zinc/71/53/30/1390715330.db2.gz PMFWRIJJFCCWRF-KRWDZBQOSA-N 1 2 344.507 3.387 20 30 EGEDLO C=C(C)CN(C)c1nnc([C@H]2CCC[N@@H+]2C)n1Cc1cccs1 ZINC001343560707 1390722921 /nfs/dbraw/zinc/72/29/21/1390722921.db2.gz ZZMNYPYOZZIPBU-OAHLLOKOSA-N 1 2 331.489 3.167 20 30 EGEDLO C=C(C)CN(C)c1nnc([C@H]2CCC[N@H+]2C)n1Cc1cccs1 ZINC001343560707 1390722922 /nfs/dbraw/zinc/72/29/22/1390722922.db2.gz ZZMNYPYOZZIPBU-OAHLLOKOSA-N 1 2 331.489 3.167 20 30 EGEDLO C=CC1CCN(c2nnc([C@H]3CCCC[N@H+]3C)n2CC(=C)C)CC1 ZINC001343927827 1390744636 /nfs/dbraw/zinc/74/46/36/1390744636.db2.gz LCZDEJMAMZJFAC-QGZVFWFLSA-N 1 2 329.492 3.413 20 30 EGEDLO C=CC1CCN(c2nnc([C@H]3CCCC[N@@H+]3C)n2CC(=C)C)CC1 ZINC001343927827 1390744638 /nfs/dbraw/zinc/74/46/38/1390744638.db2.gz LCZDEJMAMZJFAC-QGZVFWFLSA-N 1 2 329.492 3.413 20 30 EGEDLO C=CCN(CC=C)c1nnc([C@@H]2CCC[N@H+]2C)n1Cc1cccs1 ZINC001344653196 1390805739 /nfs/dbraw/zinc/80/57/39/1390805739.db2.gz GDULKHMYYOQADD-INIZCTEOSA-N 1 2 343.500 3.333 20 30 EGEDLO C=CCN(CC=C)c1nnc([C@@H]2CCC[N@@H+]2C)n1Cc1cccs1 ZINC001344653196 1390805741 /nfs/dbraw/zinc/80/57/41/1390805741.db2.gz GDULKHMYYOQADD-INIZCTEOSA-N 1 2 343.500 3.333 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC(F)(F)C[C@H]1C ZINC001346187784 1390913882 /nfs/dbraw/zinc/91/38/82/1390913882.db2.gz HMEXSOSXNMUABI-KGLIPLIRSA-N 1 2 339.434 3.245 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC(F)(F)C[C@H]1C ZINC001346187784 1390913884 /nfs/dbraw/zinc/91/38/84/1390913884.db2.gz HMEXSOSXNMUABI-KGLIPLIRSA-N 1 2 339.434 3.245 20 30 EGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)CCc1[nH+]ccn1C ZINC001346471370 1390943283 /nfs/dbraw/zinc/94/32/83/1390943283.db2.gz OGCISTLZUSEMJP-ZDUSSCGKSA-N 1 2 328.441 3.243 20 30 EGEDLO C=CCN(C)c1nnc([C@H]2CCCC[N@@H+]2C)n1Cc1cccs1 ZINC001348513310 1391231039 /nfs/dbraw/zinc/23/10/39/1391231039.db2.gz MALGQYWFFUXFPZ-OAHLLOKOSA-N 1 2 331.489 3.167 20 30 EGEDLO C=CCN(C)c1nnc([C@H]2CCCC[N@H+]2C)n1Cc1cccs1 ZINC001348513310 1391231045 /nfs/dbraw/zinc/23/10/45/1391231045.db2.gz MALGQYWFFUXFPZ-OAHLLOKOSA-N 1 2 331.489 3.167 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC001479829011 1392416005 /nfs/dbraw/zinc/41/60/05/1392416005.db2.gz ICWDQBYTMRXOSG-LRDDRELGSA-N 1 2 336.867 3.012 20 30 EGEDLO C[C@@H](C(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1)c1ccco1 ZINC001481186437 1393144880 /nfs/dbraw/zinc/14/48/80/1393144880.db2.gz ULBVEBICXPTCHA-OAHLLOKOSA-N 1 2 337.423 3.036 20 30 EGEDLO C[C@@H](C(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1)c1ccco1 ZINC001481186437 1393144881 /nfs/dbraw/zinc/14/48/81/1393144881.db2.gz ULBVEBICXPTCHA-OAHLLOKOSA-N 1 2 337.423 3.036 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2ccc(N(C)C)cc2)C1 ZINC001481410902 1394269033 /nfs/dbraw/zinc/26/90/33/1394269033.db2.gz PYFOBZUOLLOVPL-SFHVURJKSA-N 1 2 349.906 3.432 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccc(N(C)C)cc2)C1 ZINC001481410902 1394269034 /nfs/dbraw/zinc/26/90/34/1394269034.db2.gz PYFOBZUOLLOVPL-SFHVURJKSA-N 1 2 349.906 3.432 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)c2oc(C)nc2C)CC1 ZINC001490612905 1394282316 /nfs/dbraw/zinc/28/23/16/1394282316.db2.gz OMMHRQVQPYYQQL-UHFFFAOYSA-N 1 2 339.867 3.361 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@@H](C)c1cccc(F)c1 ZINC001698997026 1406796067 /nfs/dbraw/zinc/79/60/67/1406796067.db2.gz RPKDAAIULVWSCW-CYBMUJFWSA-N 1 2 326.843 3.462 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@@H](C)c1cccc(F)c1 ZINC001698997026 1406796070 /nfs/dbraw/zinc/79/60/70/1406796070.db2.gz RPKDAAIULVWSCW-CYBMUJFWSA-N 1 2 326.843 3.462 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1ccc(F)cc1Cl ZINC001725176276 1425692873 /nfs/dbraw/zinc/69/28/73/1425692873.db2.gz JDYMWOJRQOUZHZ-LLVKDONJSA-N 1 2 333.234 3.211 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1ccc(F)cc1Cl ZINC001725176276 1425692875 /nfs/dbraw/zinc/69/28/75/1425692875.db2.gz JDYMWOJRQOUZHZ-LLVKDONJSA-N 1 2 333.234 3.211 20 30 EGEDLO CCC(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001691056464 1404977425 /nfs/dbraw/zinc/97/74/25/1404977425.db2.gz ZPPDTUUAQCDXNZ-MRXNPFEDSA-N 1 2 331.435 3.166 20 30 EGEDLO CCC(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001691056464 1404977428 /nfs/dbraw/zinc/97/74/28/1404977428.db2.gz ZPPDTUUAQCDXNZ-MRXNPFEDSA-N 1 2 331.435 3.166 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)CCC1(C)CC1 ZINC001691066730 1404993167 /nfs/dbraw/zinc/99/31/67/1404993167.db2.gz TZKUCIQDWXAKIK-SFHVURJKSA-N 1 2 325.456 3.171 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)CCC1(C)CC1 ZINC001691066730 1404993171 /nfs/dbraw/zinc/99/31/71/1404993171.db2.gz TZKUCIQDWXAKIK-SFHVURJKSA-N 1 2 325.456 3.171 20 30 EGEDLO N#Cc1ccccc1C[NH2+][C@H](CNC(=O)CC1CC1)c1ccccc1 ZINC001691772890 1405484293 /nfs/dbraw/zinc/48/42/93/1405484293.db2.gz RIVYLBSPMAGFAB-HXUWFJFHSA-N 1 2 333.435 3.305 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]c2c1cccc2C ZINC001699466154 1412833179 /nfs/dbraw/zinc/83/31/79/1412833179.db2.gz RTCWKECYKCPHDN-CQSZACIVSA-N 1 2 333.863 3.208 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]c2c1cccc2C ZINC001699466154 1412833185 /nfs/dbraw/zinc/83/31/85/1412833185.db2.gz RTCWKECYKCPHDN-CQSZACIVSA-N 1 2 333.863 3.208 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)CC(C)(C)CC)C1 ZINC001699813179 1413229771 /nfs/dbraw/zinc/22/97/71/1413229771.db2.gz JECPUTBIZFGKSM-OAHLLOKOSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)CC(C)(C)CC)C1 ZINC001699813179 1413229775 /nfs/dbraw/zinc/22/97/75/1413229775.db2.gz JECPUTBIZFGKSM-OAHLLOKOSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc(N(CC)CC)cc1 ZINC001700483949 1414126132 /nfs/dbraw/zinc/12/61/32/1414126132.db2.gz JRPCGTUOBCKBKC-OAHLLOKOSA-N 1 2 337.895 3.335 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccc(N(CC)CC)cc1 ZINC001700483949 1414126134 /nfs/dbraw/zinc/12/61/34/1414126134.db2.gz JRPCGTUOBCKBKC-OAHLLOKOSA-N 1 2 337.895 3.335 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)COc1ccc(C(C)C)cc1 ZINC001732587034 1428802163 /nfs/dbraw/zinc/80/21/63/1428802163.db2.gz SMJUKDXXAXEGJF-UHFFFAOYSA-N 1 2 338.879 3.332 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)COc1ccc(C(C)C)cc1 ZINC001732587034 1428802169 /nfs/dbraw/zinc/80/21/69/1428802169.db2.gz SMJUKDXXAXEGJF-UHFFFAOYSA-N 1 2 338.879 3.332 20 30 EGEDLO CC(C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001713058533 1417613398 /nfs/dbraw/zinc/61/33/98/1417613398.db2.gz RXFYQPXBQUQATD-KRWDZBQOSA-N 1 2 331.435 3.214 20 30 EGEDLO CC(C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001713058533 1417613399 /nfs/dbraw/zinc/61/33/99/1417613399.db2.gz RXFYQPXBQUQATD-KRWDZBQOSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2c(C)nsc2C)C1 ZINC001713722708 1418498334 /nfs/dbraw/zinc/49/83/34/1418498334.db2.gz SFEIWKVXTKOZHH-AWEZNQCLSA-N 1 2 341.908 3.439 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2c(C)nsc2C)C1 ZINC001713722708 1418498335 /nfs/dbraw/zinc/49/83/35/1418498335.db2.gz SFEIWKVXTKOZHH-AWEZNQCLSA-N 1 2 341.908 3.439 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cnccc1C(F)(F)F)C1CC1 ZINC001714672901 1419463148 /nfs/dbraw/zinc/46/31/48/1419463148.db2.gz GMDAHVATGXYHTO-UHFFFAOYSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cnccc1C(F)(F)F)C1CC1 ZINC001714672901 1419463149 /nfs/dbraw/zinc/46/31/49/1419463149.db2.gz GMDAHVATGXYHTO-UHFFFAOYSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CCCc2cccs2)C1 ZINC001715032907 1419766163 /nfs/dbraw/zinc/76/61/63/1419766163.db2.gz TWFCPZYUWMVUOS-CQSZACIVSA-N 1 2 326.893 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CCCc2cccs2)C1 ZINC001715032907 1419766164 /nfs/dbraw/zinc/76/61/64/1419766164.db2.gz TWFCPZYUWMVUOS-CQSZACIVSA-N 1 2 326.893 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCOc1c(C)cccc1C ZINC001715521495 1420208264 /nfs/dbraw/zinc/20/82/64/1420208264.db2.gz XAAOMNZANXXTRA-UHFFFAOYSA-N 1 2 338.879 3.215 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCOc1c(C)cccc1C ZINC001715521495 1420208266 /nfs/dbraw/zinc/20/82/66/1420208266.db2.gz XAAOMNZANXXTRA-UHFFFAOYSA-N 1 2 338.879 3.215 20 30 EGEDLO Cc1ccsc1C(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001715751962 1420325238 /nfs/dbraw/zinc/32/52/38/1420325238.db2.gz RYGLFBCDSWYBBY-UHFFFAOYSA-N 1 2 327.453 3.132 20 30 EGEDLO Cc1ccsc1C(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC001715751962 1420325240 /nfs/dbraw/zinc/32/52/40/1420325240.db2.gz RYGLFBCDSWYBBY-UHFFFAOYSA-N 1 2 327.453 3.132 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)C(CC)CC)CC1 ZINC001716791626 1420925181 /nfs/dbraw/zinc/92/51/81/1420925181.db2.gz AVKDIMOFKOECDB-UHFFFAOYSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1CCC ZINC001717211515 1421185719 /nfs/dbraw/zinc/18/57/19/1421185719.db2.gz RNZUPWZGPKJCEJ-ZIAGYGMSSA-N 1 2 331.298 3.112 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1CCC ZINC001717211515 1421185720 /nfs/dbraw/zinc/18/57/20/1421185720.db2.gz RNZUPWZGPKJCEJ-ZIAGYGMSSA-N 1 2 331.298 3.112 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCOc1cc(C)cc(C)c1 ZINC001717474349 1421407760 /nfs/dbraw/zinc/40/77/60/1421407760.db2.gz LBVALQGRTRTGGJ-INIZCTEOSA-N 1 2 338.879 3.261 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCOc1cc(C)cc(C)c1 ZINC001717474349 1421407762 /nfs/dbraw/zinc/40/77/62/1421407762.db2.gz LBVALQGRTRTGGJ-INIZCTEOSA-N 1 2 338.879 3.261 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CCCc2ccsc2)C1 ZINC001717552386 1421489606 /nfs/dbraw/zinc/48/96/06/1421489606.db2.gz HWHDLRHRPYKMHV-ZDUSSCGKSA-N 1 2 326.893 3.260 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CCc2ccc(CC)cc2)C1 ZINC001725263357 1425895857 /nfs/dbraw/zinc/89/58/57/1425895857.db2.gz CALCAHKLHSCNLY-OAHLLOKOSA-N 1 2 334.891 3.371 20 30 EGEDLO C[N@H+](CCNC(=O)[C@@]1(C)CCc2ccccc21)Cc1ccccc1C#N ZINC001731797902 1427955227 /nfs/dbraw/zinc/95/52/27/1427955227.db2.gz ZIIYGEASIBHJHB-QFIPXVFZSA-N 1 2 347.462 3.010 20 30 EGEDLO C[N@@H+](CCNC(=O)[C@@]1(C)CCc2ccccc21)Cc1ccccc1C#N ZINC001731797902 1427955230 /nfs/dbraw/zinc/95/52/30/1427955230.db2.gz ZIIYGEASIBHJHB-QFIPXVFZSA-N 1 2 347.462 3.010 20 30 EGEDLO CCC[C@@H](C)C(=O)NCC[N@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001731875546 1428138720 /nfs/dbraw/zinc/13/87/20/1428138720.db2.gz XWYFJPIDAKHGNU-CQSZACIVSA-N 1 2 331.435 3.214 20 30 EGEDLO CCC[C@@H](C)C(=O)NCC[N@@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001731875546 1428138723 /nfs/dbraw/zinc/13/87/23/1428138723.db2.gz XWYFJPIDAKHGNU-CQSZACIVSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)CC2(C)CC2)C[C@@H]1C ZINC001733900226 1437717889 /nfs/dbraw/zinc/71/78/89/1437717889.db2.gz OHOYLZJAMJREPQ-QWHCGFSZSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)CC2(C)CC2)C[C@@H]1C ZINC001733900226 1437717893 /nfs/dbraw/zinc/71/78/93/1437717893.db2.gz OHOYLZJAMJREPQ-QWHCGFSZSA-N 1 2 329.282 3.054 20 30 EGEDLO C#CCCCC(=O)N1CCC[C@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC001752989626 1440259197 /nfs/dbraw/zinc/25/91/97/1440259197.db2.gz IIFHRRIFBNNTID-INIZCTEOSA-N 1 2 331.460 3.024 20 30 EGEDLO C#CCCCC(=O)N1CCC[C@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC001752989626 1440259198 /nfs/dbraw/zinc/25/91/98/1440259198.db2.gz IIFHRRIFBNNTID-INIZCTEOSA-N 1 2 331.460 3.024 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC001753098298 1440303349 /nfs/dbraw/zinc/30/33/49/1440303349.db2.gz UXJSKQJTNHJJGA-YPMHNXCESA-N 1 2 340.254 3.234 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC001753098298 1440303350 /nfs/dbraw/zinc/30/33/50/1440303350.db2.gz UXJSKQJTNHJJGA-YPMHNXCESA-N 1 2 340.254 3.234 20 30 EGEDLO C#CCCCC(=O)N(CCC)[C@H]1CC[N@H+](Cc2csc(C)n2)C1 ZINC001753316688 1440360139 /nfs/dbraw/zinc/36/01/39/1440360139.db2.gz YEEQRUTWWVSGFC-KRWDZBQOSA-N 1 2 333.501 3.068 20 30 EGEDLO C#CCCCC(=O)N(CCC)[C@H]1CC[N@@H+](Cc2csc(C)n2)C1 ZINC001753316688 1440360140 /nfs/dbraw/zinc/36/01/40/1440360140.db2.gz YEEQRUTWWVSGFC-KRWDZBQOSA-N 1 2 333.501 3.068 20 30 EGEDLO C[C@H](C#N)C(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC001753433347 1440399320 /nfs/dbraw/zinc/39/93/20/1440399320.db2.gz GXPGZHVZGMCQPI-YPMHNXCESA-N 1 2 340.254 3.186 20 30 EGEDLO C[C@H](C#N)C(=O)N(C)[C@H]1CC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC001753433347 1440399321 /nfs/dbraw/zinc/39/93/21/1440399321.db2.gz GXPGZHVZGMCQPI-YPMHNXCESA-N 1 2 340.254 3.186 20 30 EGEDLO C=CCCC(=O)N(C)[C@@H]1CC[N@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC001753434311 1440399433 /nfs/dbraw/zinc/39/94/33/1440399433.db2.gz VLCMELAJAWTHNF-MRXNPFEDSA-N 1 2 345.468 3.402 20 30 EGEDLO C=CCCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC001753434311 1440399434 /nfs/dbraw/zinc/39/94/34/1440399434.db2.gz VLCMELAJAWTHNF-MRXNPFEDSA-N 1 2 345.468 3.402 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)OC2CCCCC2)C1 ZINC001753437893 1440400402 /nfs/dbraw/zinc/40/04/02/1440400402.db2.gz OSVRLLNUPKCFLL-NVXWUHKLSA-N 1 2 342.911 3.400 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)OC2CCCCC2)C1 ZINC001753437893 1440400403 /nfs/dbraw/zinc/40/04/03/1440400403.db2.gz OSVRLLNUPKCFLL-NVXWUHKLSA-N 1 2 342.911 3.400 20 30 EGEDLO CCN(C(=O)[C@@H](C)C#N)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC001753453520 1440407275 /nfs/dbraw/zinc/40/72/75/1440407275.db2.gz RYUIDNLYJAXVJG-SWLSCSKDSA-N 1 2 337.826 3.062 20 30 EGEDLO CCN(C(=O)[C@@H](C)C#N)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC001753453520 1440407276 /nfs/dbraw/zinc/40/72/76/1440407276.db2.gz RYUIDNLYJAXVJG-SWLSCSKDSA-N 1 2 337.826 3.062 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C3CC3)cc2)CCO1 ZINC001753652321 1440456806 /nfs/dbraw/zinc/45/68/06/1440456806.db2.gz FWIOVXAQIRPUGS-HXUWFJFHSA-N 1 2 342.483 3.237 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)CCO1 ZINC001753652321 1440456807 /nfs/dbraw/zinc/45/68/07/1440456807.db2.gz FWIOVXAQIRPUGS-HXUWFJFHSA-N 1 2 342.483 3.237 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)c1sccc1F ZINC001753852592 1440507536 /nfs/dbraw/zinc/50/75/36/1440507536.db2.gz TXKWXNJYZSCPJJ-UHFFFAOYSA-N 1 2 349.406 3.102 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)c1sccc1F ZINC001753852592 1440507537 /nfs/dbraw/zinc/50/75/37/1440507537.db2.gz TXKWXNJYZSCPJJ-UHFFFAOYSA-N 1 2 349.406 3.102 20 30 EGEDLO C=C1CCC(C(=O)N(C)CC[N@H+](C)Cc2nc(C)c(C)s2)CC1 ZINC001753861693 1440511996 /nfs/dbraw/zinc/51/19/96/1440511996.db2.gz OUTIONRTPMAIEM-UHFFFAOYSA-N 1 2 335.517 3.397 20 30 EGEDLO C=C1CCC(C(=O)N(C)CC[N@@H+](C)Cc2nc(C)c(C)s2)CC1 ZINC001753861693 1440511997 /nfs/dbraw/zinc/51/19/97/1440511997.db2.gz OUTIONRTPMAIEM-UHFFFAOYSA-N 1 2 335.517 3.397 20 30 EGEDLO C=CCC1(C(=O)N[C@H](C)C[NH2+][C@H](C)c2nnc(C)o2)CCCCC1 ZINC001754254949 1440558889 /nfs/dbraw/zinc/55/88/89/1440558889.db2.gz USJXOVXZILKJHS-ZIAGYGMSSA-N 1 2 334.464 3.060 20 30 EGEDLO C=C(C)CCC(=O)N[C@H](C)C[N@H+](C)CC(=O)Nc1c(C)cccc1C ZINC001754311636 1440573361 /nfs/dbraw/zinc/57/33/61/1440573361.db2.gz QOPFDWMPQVCYCH-QGZVFWFLSA-N 1 2 345.487 3.035 20 30 EGEDLO C=C(C)CCC(=O)N[C@H](C)C[N@@H+](C)CC(=O)Nc1c(C)cccc1C ZINC001754311636 1440573362 /nfs/dbraw/zinc/57/33/62/1440573362.db2.gz QOPFDWMPQVCYCH-QGZVFWFLSA-N 1 2 345.487 3.035 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H](C)C[N@H+](C)Cc1noc2c1CCCC2 ZINC001754324040 1440579403 /nfs/dbraw/zinc/57/94/03/1440579403.db2.gz XSFDHOUVCKMYKH-LIRRHRJNSA-N 1 2 333.476 3.092 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H](C)C[N@@H+](C)Cc1noc2c1CCCC2 ZINC001754324040 1440579404 /nfs/dbraw/zinc/57/94/04/1440579404.db2.gz XSFDHOUVCKMYKH-LIRRHRJNSA-N 1 2 333.476 3.092 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H]2CC[N@@H+]2[C@@H]2CCc3c2cc(F)cc3F)C1 ZINC001754494120 1440611156 /nfs/dbraw/zinc/61/11/56/1440611156.db2.gz LNELQCUGTWIZJS-RDTXWAMCSA-N 1 2 346.421 3.499 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H]2CC[N@H+]2[C@@H]2CCc3c2cc(F)cc3F)C1 ZINC001754494120 1440611157 /nfs/dbraw/zinc/61/11/57/1440611157.db2.gz LNELQCUGTWIZJS-RDTXWAMCSA-N 1 2 346.421 3.499 20 30 EGEDLO C=CC(C)(C)CC(=O)NCC1([NH2+][C@H](C)c2nc(C(C)C)no2)CC1 ZINC001754514896 1440618375 /nfs/dbraw/zinc/61/83/75/1440618375.db2.gz LMBXJFAXUACZPV-CYBMUJFWSA-N 1 2 334.464 3.095 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccnc1 ZINC001754552399 1440630358 /nfs/dbraw/zinc/63/03/58/1440630358.db2.gz FYFRVYCQYKWGPN-QRQLOZEOSA-N 1 2 327.472 3.249 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccnc1 ZINC001754552399 1440630359 /nfs/dbraw/zinc/63/03/59/1440630359.db2.gz FYFRVYCQYKWGPN-QRQLOZEOSA-N 1 2 327.472 3.249 20 30 EGEDLO C=CCCC(=O)N(C)C1C[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001754571569 1440637191 /nfs/dbraw/zinc/63/71/91/1440637191.db2.gz BTEZDQVAKIYYFX-UHFFFAOYSA-N 1 2 326.362 3.314 20 30 EGEDLO C=CCCC(=O)N[C@]1(C)CC[N@@H+](Cc2cc(F)c(OC)c(F)c2)C1 ZINC001754668642 1440657380 /nfs/dbraw/zinc/65/73/80/1440657380.db2.gz PHULWONZCBQVMS-GOSISDBHSA-N 1 2 338.398 3.020 20 30 EGEDLO C=CCCC(=O)N[C@]1(C)CC[N@H+](Cc2cc(F)c(OC)c(F)c2)C1 ZINC001754668642 1440657381 /nfs/dbraw/zinc/65/73/81/1440657381.db2.gz PHULWONZCBQVMS-GOSISDBHSA-N 1 2 338.398 3.020 20 30 EGEDLO C=C(C)CCC(=O)N[C@@]1(C)CC[N@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC001754674641 1440659529 /nfs/dbraw/zinc/65/95/29/1440659529.db2.gz ZEPNBBKMYKTHFB-FQEVSTJZSA-N 1 2 344.503 3.435 20 30 EGEDLO C=C(C)CCC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC001754674641 1440659530 /nfs/dbraw/zinc/65/95/30/1440659530.db2.gz ZEPNBBKMYKTHFB-FQEVSTJZSA-N 1 2 344.503 3.435 20 30 EGEDLO C/C=C(/C)C(=O)NC[C@]1(C)CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001754724840 1440675549 /nfs/dbraw/zinc/67/55/49/1440675549.db2.gz HXHJOIWPYFVCFC-UBQIGYKKSA-N 1 2 343.446 3.382 20 30 EGEDLO C/C=C(/C)C(=O)NC[C@]1(C)CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001754724840 1440675550 /nfs/dbraw/zinc/67/55/50/1440675550.db2.gz HXHJOIWPYFVCFC-UBQIGYKKSA-N 1 2 343.446 3.382 20 30 EGEDLO CCCCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)oc1C ZINC001754964255 1440718183 /nfs/dbraw/zinc/71/81/83/1440718183.db2.gz XPLFNNJYLMGCCD-KRWDZBQOSA-N 1 2 336.476 3.297 20 30 EGEDLO CCCCCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)oc1C ZINC001754964255 1440718184 /nfs/dbraw/zinc/71/81/84/1440718184.db2.gz XPLFNNJYLMGCCD-KRWDZBQOSA-N 1 2 336.476 3.297 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@](C)(CC)CCCCC)CCO2 ZINC001755050721 1440742831 /nfs/dbraw/zinc/74/28/31/1440742831.db2.gz ABGNCWXHZNQKRR-IBGZPJMESA-N 1 2 336.520 3.472 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CCCCC(C)C ZINC001755075848 1440748649 /nfs/dbraw/zinc/74/86/49/1440748649.db2.gz OCJAQZDYRDINPE-HXUWFJFHSA-N 1 2 326.484 3.379 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CCCCC(C)C ZINC001755075848 1440748650 /nfs/dbraw/zinc/74/86/50/1440748650.db2.gz OCJAQZDYRDINPE-HXUWFJFHSA-N 1 2 326.484 3.379 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1coc(C)n1 ZINC001755192311 1440775266 /nfs/dbraw/zinc/77/52/66/1440775266.db2.gz CREIHTWBMOBPSI-SFHVURJKSA-N 1 2 331.460 3.174 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1coc(C)n1 ZINC001755192311 1440775267 /nfs/dbraw/zinc/77/52/67/1440775267.db2.gz CREIHTWBMOBPSI-SFHVURJKSA-N 1 2 331.460 3.174 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)OCc1ccccc1C ZINC001755309447 1440812581 /nfs/dbraw/zinc/81/25/81/1440812581.db2.gz AFNZZVSJIMGWMU-CVEARBPZSA-N 1 2 338.879 3.089 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H](C)OCc1ccccc1C ZINC001755309447 1440812582 /nfs/dbraw/zinc/81/25/82/1440812582.db2.gz AFNZZVSJIMGWMU-CVEARBPZSA-N 1 2 338.879 3.089 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@H]1CCCCC[N@H+]1Cc1nnc(C)o1 ZINC001755363817 1440833376 /nfs/dbraw/zinc/83/33/76/1440833376.db2.gz NJEMYQZBJQHWOB-QGZVFWFLSA-N 1 2 346.475 3.007 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1nnc(C)o1 ZINC001755363817 1440833377 /nfs/dbraw/zinc/83/33/77/1440833377.db2.gz NJEMYQZBJQHWOB-QGZVFWFLSA-N 1 2 346.475 3.007 20 30 EGEDLO C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001755456359 1440855525 /nfs/dbraw/zinc/85/55/25/1440855525.db2.gz SYSVSODDIPCAMZ-OLZOCXBDSA-N 1 2 336.373 3.166 20 30 EGEDLO C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001755456359 1440855526 /nfs/dbraw/zinc/85/55/26/1440855526.db2.gz SYSVSODDIPCAMZ-OLZOCXBDSA-N 1 2 336.373 3.166 20 30 EGEDLO C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001755456359 1440855527 /nfs/dbraw/zinc/85/55/27/1440855527.db2.gz SYSVSODDIPCAMZ-OLZOCXBDSA-N 1 2 336.373 3.166 20 30 EGEDLO C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001755456359 1440855528 /nfs/dbraw/zinc/85/55/28/1440855528.db2.gz SYSVSODDIPCAMZ-OLZOCXBDSA-N 1 2 336.373 3.166 20 30 EGEDLO C=CCCC(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1coc(C3CC3)n1)CC2 ZINC001755696860 1440898356 /nfs/dbraw/zinc/89/83/56/1440898356.db2.gz POVXQRKCGMEFAL-LPHOPBHVSA-N 1 2 329.444 3.131 20 30 EGEDLO C=CCCC(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1coc(C3CC3)n1)CC2 ZINC001755696860 1440898357 /nfs/dbraw/zinc/89/83/57/1440898357.db2.gz POVXQRKCGMEFAL-LPHOPBHVSA-N 1 2 329.444 3.131 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2nc3c(o2)CCCC3)[C@@H]1C ZINC001755718401 1440906290 /nfs/dbraw/zinc/90/62/90/1440906290.db2.gz ZORWKHPDRAPFAO-HUUCEWRRSA-N 1 2 345.487 3.235 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2nc3c(o2)CCCC3)[C@@H]1C ZINC001755718401 1440906291 /nfs/dbraw/zinc/90/62/91/1440906291.db2.gz ZORWKHPDRAPFAO-HUUCEWRRSA-N 1 2 345.487 3.235 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)CCC2(C)CC2)[C@@H]1C ZINC001755721090 1440907241 /nfs/dbraw/zinc/90/72/41/1440907241.db2.gz LNLKMTRTBPKUSF-UONOGXRCSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)CCC2(C)CC2)[C@@H]1C ZINC001755721090 1440907242 /nfs/dbraw/zinc/90/72/42/1440907242.db2.gz LNLKMTRTBPKUSF-UONOGXRCSA-N 1 2 343.309 3.444 20 30 EGEDLO C=CCC[C@H](C)[NH2+]C[C@@H](NC(=O)c1cc2cccn2cn1)C(C)(C)C ZINC001755826712 1440927475 /nfs/dbraw/zinc/92/74/75/1440927475.db2.gz WYIMQCAQGQKQEP-MAUKXSAKSA-N 1 2 342.487 3.423 20 30 EGEDLO O=C(C#CC1CC1)NCC1=CC[N@H+](Cc2ccc(F)c(Cl)c2)CC1 ZINC001755886709 1440940361 /nfs/dbraw/zinc/94/03/61/1440940361.db2.gz PTIIJPWLGOSPFH-UHFFFAOYSA-N 1 2 346.833 3.141 20 30 EGEDLO O=C(C#CC1CC1)NCC1=CC[N@@H+](Cc2ccc(F)c(Cl)c2)CC1 ZINC001755886709 1440940362 /nfs/dbraw/zinc/94/03/62/1440940362.db2.gz PTIIJPWLGOSPFH-UHFFFAOYSA-N 1 2 346.833 3.141 20 30 EGEDLO C=CC[NH+]1CCN(C(F)(F)Oc2cc(Cl)nc(Cl)c2)CC1 ZINC001165034108 721873488 /nfs/dbraw/zinc/87/34/88/721873488.db2.gz FFSCHQRYIMXEDE-UHFFFAOYSA-N 1 2 338.185 3.121 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](Cc1ccccn1)C1CC1 ZINC000181310172 234148520 /nfs/dbraw/zinc/14/85/20/234148520.db2.gz GCZYAYKXVZROSI-UHFFFAOYSA-N 1 2 340.814 3.210 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](Cc1ccccn1)C1CC1 ZINC000181310172 234148524 /nfs/dbraw/zinc/14/85/24/234148524.db2.gz GCZYAYKXVZROSI-UHFFFAOYSA-N 1 2 340.814 3.210 20 30 EGEDLO N#Cc1ccc(N2CCC(CCCn3cc[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC000340774683 283153150 /nfs/dbraw/zinc/15/31/50/283153150.db2.gz JTRCPHSPKCUFPH-UHFFFAOYSA-N 1 2 339.399 3.360 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)s1 ZINC000129014348 223011537 /nfs/dbraw/zinc/01/15/37/223011537.db2.gz ZIMAYMNOBOCVEZ-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)s1 ZINC000129014348 223011541 /nfs/dbraw/zinc/01/15/41/223011541.db2.gz ZIMAYMNOBOCVEZ-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO C[C@H](c1nccs1)N1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000187724474 236284634 /nfs/dbraw/zinc/28/46/34/236284634.db2.gz FDFXVOBSEOZZIP-HUUCEWRRSA-N 1 2 326.469 3.455 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC000187724435 236284820 /nfs/dbraw/zinc/28/48/20/236284820.db2.gz FDFXVOBSEOZZIP-CABCVRRESA-N 1 2 326.469 3.455 20 30 EGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2ccncc2Cl)CC1 ZINC000072304874 216142872 /nfs/dbraw/zinc/14/28/72/216142872.db2.gz DTPYNMNWLQKQTP-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO C[N@H+](Cc1cn2ccccc2c1C#N)Cc1ccc2c(c1)OCCO2 ZINC000073342414 216379654 /nfs/dbraw/zinc/37/96/54/216379654.db2.gz KDSNWOYYAFSVEY-UHFFFAOYSA-N 1 2 333.391 3.214 20 30 EGEDLO C[N@@H+](Cc1cn2ccccc2c1C#N)Cc1ccc2c(c1)OCCO2 ZINC000073342414 216379656 /nfs/dbraw/zinc/37/96/56/216379656.db2.gz KDSNWOYYAFSVEY-UHFFFAOYSA-N 1 2 333.391 3.214 20 30 EGEDLO Cn1cc(C[N@@H+]2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)cc1C#N ZINC000191450335 239120529 /nfs/dbraw/zinc/12/05/29/239120529.db2.gz BSYSOJRHWYYWEG-IAGOWNOFSA-N 1 2 349.356 3.223 20 30 EGEDLO Cn1cc(C[N@H+]2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)cc1C#N ZINC000191450335 239120534 /nfs/dbraw/zinc/12/05/34/239120534.db2.gz BSYSOJRHWYYWEG-IAGOWNOFSA-N 1 2 349.356 3.223 20 30 EGEDLO Cn1cc(C[N@@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1C#N ZINC000191473344 239132465 /nfs/dbraw/zinc/13/24/65/239132465.db2.gz WPWWBRZGLARVSI-KRWDZBQOSA-N 1 2 349.356 3.489 20 30 EGEDLO Cn1cc(C[N@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1C#N ZINC000191473344 239132470 /nfs/dbraw/zinc/13/24/70/239132470.db2.gz WPWWBRZGLARVSI-KRWDZBQOSA-N 1 2 349.356 3.489 20 30 EGEDLO N#Cc1ccc(Br)c(C[NH2+][C@@H](CCO)c2ccco2)c1 ZINC000191839459 239331806 /nfs/dbraw/zinc/33/18/06/239331806.db2.gz QXYRTBJGPWFZJH-AWEZNQCLSA-N 1 2 335.201 3.127 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000023702096 212392209 /nfs/dbraw/zinc/39/22/09/212392209.db2.gz PAFFEROMDMOEPI-UHFFFAOYSA-N 1 2 339.826 3.170 20 30 EGEDLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)cs1 ZINC000111376294 220148077 /nfs/dbraw/zinc/14/80/77/220148077.db2.gz JFTPXJJVQKDIAG-VXGBXAGGSA-N 1 2 328.441 3.255 20 30 EGEDLO C=CCN(CC=C)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000264206540 246183106 /nfs/dbraw/zinc/18/31/06/246183106.db2.gz GGDRZFIOKPQQQU-MRXNPFEDSA-N 1 2 329.444 3.286 20 30 EGEDLO C[C@H]1CN(c2ccc(Nc3ncc(C#N)cc3Cl)c[nH+]2)C[C@H](C)O1 ZINC000265155636 247253923 /nfs/dbraw/zinc/25/39/23/247253923.db2.gz UQXQHBCHKWTXMD-RYUDHWBXSA-N 1 2 343.818 3.359 20 30 EGEDLO CCc1nc([C@H](C)[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)cs1 ZINC000265207559 247299020 /nfs/dbraw/zinc/29/90/20/247299020.db2.gz QUYQUMDYOPVADE-WFASDCNBSA-N 1 2 340.452 3.033 20 30 EGEDLO C=CCN(CC=C)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000267585150 251170775 /nfs/dbraw/zinc/17/07/75/251170775.db2.gz HUKRNWMTEKJLLP-UHFFFAOYSA-N 1 2 338.455 3.400 20 30 EGEDLO Cc1sc(NC(=O)C[NH+]2CCC(OC(C)(C)C)CC2)c(C#N)c1C ZINC000119004068 221221529 /nfs/dbraw/zinc/22/15/29/221221529.db2.gz FIRKGYLVLHSYGC-UHFFFAOYSA-N 1 2 349.500 3.455 20 30 EGEDLO Cc1cc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)cc[nH+]1 ZINC000119528543 221340783 /nfs/dbraw/zinc/34/07/83/221340783.db2.gz PFGVDDAGHASNLA-UHFFFAOYSA-N 1 2 335.411 3.006 20 30 EGEDLO COc1cc(C#N)ccc1C[N@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000179655176 533495086 /nfs/dbraw/zinc/49/50/86/533495086.db2.gz MDJWRBOEIHVKOY-UHFFFAOYSA-N 1 2 337.423 3.254 20 30 EGEDLO COc1cc(C#N)ccc1C[N@@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000179655176 533495089 /nfs/dbraw/zinc/49/50/89/533495089.db2.gz MDJWRBOEIHVKOY-UHFFFAOYSA-N 1 2 337.423 3.254 20 30 EGEDLO C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(C#N)cc1 ZINC000338363162 141108409 /nfs/dbraw/zinc/10/84/09/141108409.db2.gz PSYQVZHCDRWSPI-LBPRGKRZSA-N 1 2 349.350 3.367 20 30 EGEDLO Cc1nsc(N2CC[NH+](Cc3ccc(C)c(F)c3)CC2)c1C#N ZINC000356297652 141338669 /nfs/dbraw/zinc/33/86/69/141338669.db2.gz PIQOLFKJEGPDAQ-UHFFFAOYSA-N 1 2 330.432 3.093 20 30 EGEDLO C[C@H]1C[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CCS1 ZINC000171701654 144009769 /nfs/dbraw/zinc/00/97/69/144009769.db2.gz KOZXHZMIKRYGLZ-LBPRGKRZSA-N 1 2 349.525 3.264 20 30 EGEDLO C[C@H]1C[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CCS1 ZINC000171701654 144009771 /nfs/dbraw/zinc/00/97/71/144009771.db2.gz KOZXHZMIKRYGLZ-LBPRGKRZSA-N 1 2 349.525 3.264 20 30 EGEDLO COc1ccc2c(c1OC)CC[N@@H+](Cc1cccc(C#N)c1F)C2 ZINC000341132006 155180158 /nfs/dbraw/zinc/18/01/58/155180158.db2.gz UEHYEWNIMPMRHI-UHFFFAOYSA-N 1 2 326.371 3.273 20 30 EGEDLO COc1ccc2c(c1OC)CC[N@H+](Cc1cccc(C#N)c1F)C2 ZINC000341132006 155180161 /nfs/dbraw/zinc/18/01/61/155180161.db2.gz UEHYEWNIMPMRHI-UHFFFAOYSA-N 1 2 326.371 3.273 20 30 EGEDLO CC(C)Oc1cccc(C[N@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000120538307 152282221 /nfs/dbraw/zinc/28/22/21/152282221.db2.gz XZPDUAMBHKQNPP-LJQANCHMSA-N 1 2 337.423 3.004 20 30 EGEDLO CC(C)Oc1cccc(C[N@@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000120538307 152282222 /nfs/dbraw/zinc/28/22/22/152282222.db2.gz XZPDUAMBHKQNPP-LJQANCHMSA-N 1 2 337.423 3.004 20 30 EGEDLO COc1cc(C#N)ccc1CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000121248894 152337955 /nfs/dbraw/zinc/33/79/55/152337955.db2.gz CQTWSASICSOOGC-UHFFFAOYSA-N 1 2 339.414 3.024 20 30 EGEDLO COc1cc(C#N)ccc1C[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000121248894 152337957 /nfs/dbraw/zinc/33/79/57/152337957.db2.gz CQTWSASICSOOGC-UHFFFAOYSA-N 1 2 339.414 3.024 20 30 EGEDLO Cn1cc(C[N@@H+]2CCc3cc(Br)ccc3C2)cc1C#N ZINC000191614031 153211182 /nfs/dbraw/zinc/21/11/82/153211182.db2.gz NZZDEKVHBFBZQJ-UHFFFAOYSA-N 1 2 330.229 3.218 20 30 EGEDLO Cn1cc(C[N@H+]2CCc3cc(Br)ccc3C2)cc1C#N ZINC000191614031 153211185 /nfs/dbraw/zinc/21/11/85/153211185.db2.gz NZZDEKVHBFBZQJ-UHFFFAOYSA-N 1 2 330.229 3.218 20 30 EGEDLO CCOc1ccccc1[C@H](CC)[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000341651922 155401809 /nfs/dbraw/zinc/40/18/09/155401809.db2.gz BBIPRTWOAYBJMX-PKOBYXMFSA-N 1 2 337.423 3.224 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@H+](CCO)Cc1ccccc1 ZINC000336704711 154210359 /nfs/dbraw/zinc/21/03/59/154210359.db2.gz GUXJRCQGHCKRJT-UHFFFAOYSA-N 1 2 345.240 3.315 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@@H+](CCO)Cc1ccccc1 ZINC000336704711 154210363 /nfs/dbraw/zinc/21/03/63/154210363.db2.gz GUXJRCQGHCKRJT-UHFFFAOYSA-N 1 2 345.240 3.315 20 30 EGEDLO CSc1ccccc1[C@H](C)[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000336965457 163094891 /nfs/dbraw/zinc/09/48/91/163094891.db2.gz JFEURUDHVDLLLU-YVEFUNNKSA-N 1 2 325.437 3.157 20 30 EGEDLO CO[C@@H](C)c1nc(C[N@H+](C)CCOCc2ccc(C#N)cc2)cs1 ZINC000344129929 164110236 /nfs/dbraw/zinc/11/02/36/164110236.db2.gz VKMVUSMKVGEJTR-AWEZNQCLSA-N 1 2 345.468 3.371 20 30 EGEDLO CO[C@@H](C)c1nc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)cs1 ZINC000344129929 164110239 /nfs/dbraw/zinc/11/02/39/164110239.db2.gz VKMVUSMKVGEJTR-AWEZNQCLSA-N 1 2 345.468 3.371 20 30 EGEDLO Cc1cc(CNc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)ccc1C#N ZINC000355429149 166196867 /nfs/dbraw/zinc/19/68/67/166196867.db2.gz XXCMYMFIPQXGMB-HOTGVXAUSA-N 1 2 336.439 3.487 20 30 EGEDLO N#Cc1c(F)cccc1Oc1ccc(C(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000359114967 167071171 /nfs/dbraw/zinc/07/11/71/167071171.db2.gz HPFAABWYGIPNPL-UHFFFAOYSA-N 1 2 336.326 3.143 20 30 EGEDLO N#Cc1c(F)cccc1Oc1ccc(C(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000359114967 167071174 /nfs/dbraw/zinc/07/11/74/167071174.db2.gz HPFAABWYGIPNPL-UHFFFAOYSA-N 1 2 336.326 3.143 20 30 EGEDLO N#Cc1ccccc1Sc1ccc(C(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000359134721 167077293 /nfs/dbraw/zinc/07/72/93/167077293.db2.gz ZDRULKDJBKTQHG-UHFFFAOYSA-N 1 2 334.404 3.363 20 30 EGEDLO N#Cc1ccccc1Sc1ccc(C(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000359134721 167077295 /nfs/dbraw/zinc/07/72/95/167077295.db2.gz ZDRULKDJBKTQHG-UHFFFAOYSA-N 1 2 334.404 3.363 20 30 EGEDLO Cc1nc(NC[C@H](CC(C)C)[NH+]2CCOCC2)c(Cl)cc1C#N ZINC000359844002 167247044 /nfs/dbraw/zinc/24/70/44/167247044.db2.gz RPBKSHUUZADBJW-HNNXBMFYSA-N 1 2 336.867 3.074 20 30 EGEDLO C[C@H]1COc2ccccc2C[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000359892521 167259823 /nfs/dbraw/zinc/25/98/23/167259823.db2.gz HVKWWUAQOMFMAP-AWEZNQCLSA-N 1 2 346.390 3.391 20 30 EGEDLO C[C@H]1COc2ccccc2C[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000359892521 167259826 /nfs/dbraw/zinc/25/98/26/167259826.db2.gz HVKWWUAQOMFMAP-AWEZNQCLSA-N 1 2 346.390 3.391 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(C(F)F)CC2)c(C#N)c1C ZINC000362736164 167831159 /nfs/dbraw/zinc/83/11/59/167831159.db2.gz SJLYCIOBCZGQGD-JTQLQIEISA-N 1 2 325.359 3.072 20 30 EGEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2c2noc(C3CC3)n2)cc1 ZINC000366266402 168100482 /nfs/dbraw/zinc/10/04/82/168100482.db2.gz HLLSHXKVUUGICX-SJORKVTESA-N 1 2 338.411 3.079 20 30 EGEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@@H]2c2noc(C3CC3)n2)cc1 ZINC000366266402 168100485 /nfs/dbraw/zinc/10/04/85/168100485.db2.gz HLLSHXKVUUGICX-SJORKVTESA-N 1 2 338.411 3.079 20 30 EGEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(Cl)nc3Cl)C2)nc1 ZINC000366430292 168120624 /nfs/dbraw/zinc/12/06/24/168120624.db2.gz GIUOKICYHHNJNY-ZDUSSCGKSA-N 1 2 349.221 3.308 20 30 EGEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(Cl)nc3Cl)C2)nc1 ZINC000366430292 168120626 /nfs/dbraw/zinc/12/06/26/168120626.db2.gz GIUOKICYHHNJNY-ZDUSSCGKSA-N 1 2 349.221 3.308 20 30 EGEDLO COc1ccccc1-c1nnc(C[NH2+][C@H](C)c2ccc(C#N)cc2)o1 ZINC000367679545 168258030 /nfs/dbraw/zinc/25/80/30/168258030.db2.gz UROUQXMXWCBACZ-CYBMUJFWSA-N 1 2 334.379 3.468 20 30 EGEDLO CC(C)c1cnc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)s1 ZINC000367776641 168268710 /nfs/dbraw/zinc/26/87/10/168268710.db2.gz FQVMAXBYYNKSEA-CQSZACIVSA-N 1 2 328.441 3.186 20 30 EGEDLO CC(C)c1cnc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)s1 ZINC000367776641 168268712 /nfs/dbraw/zinc/26/87/12/168268712.db2.gz FQVMAXBYYNKSEA-CQSZACIVSA-N 1 2 328.441 3.186 20 30 EGEDLO N#Cc1cc(CNc2ccccc2C[NH+]2CCOCC2)ccc1F ZINC000124176327 222386925 /nfs/dbraw/zinc/38/69/25/222386925.db2.gz YIUQXDCCVCNYEF-UHFFFAOYSA-N 1 2 325.387 3.142 20 30 EGEDLO N#Cc1ccnc(N2CC[NH+](Cc3cc(F)ccc3Cl)CC2)c1 ZINC000527324675 269976986 /nfs/dbraw/zinc/97/69/86/269976986.db2.gz ATURGKHNOUAPSP-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO Cc1cc(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c(C#N)c[nH+]1 ZINC000425233718 270049447 /nfs/dbraw/zinc/04/94/47/270049447.db2.gz XXHKMCXLRDVMJD-UHFFFAOYSA-N 1 2 338.386 3.256 20 30 EGEDLO N#Cc1ccccc1OCC[N@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000451798051 270053580 /nfs/dbraw/zinc/05/35/80/270053580.db2.gz LKAODCWCENRGSC-GOSISDBHSA-N 1 2 326.371 3.150 20 30 EGEDLO N#Cc1ccccc1OCC[N@@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000451798051 270053582 /nfs/dbraw/zinc/05/35/82/270053582.db2.gz LKAODCWCENRGSC-GOSISDBHSA-N 1 2 326.371 3.150 20 30 EGEDLO N#Cc1ccc(/C=C\C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000490919300 270057341 /nfs/dbraw/zinc/05/73/41/270057341.db2.gz KLPBTSHFGWTWHW-HJWRWDBZSA-N 1 2 342.402 3.133 20 30 EGEDLO CCOc1ccc(C[NH+]2CCN(Cc3ccc(C#N)s3)CC2)cc1 ZINC000179838682 265390867 /nfs/dbraw/zinc/39/08/67/265390867.db2.gz QCHZEZDWIWMAHD-UHFFFAOYSA-N 1 2 341.480 3.336 20 30 EGEDLO CCOc1ccc(CN2CC[NH+](Cc3ccc(C#N)s3)CC2)cc1 ZINC000179838682 265390871 /nfs/dbraw/zinc/39/08/71/265390871.db2.gz QCHZEZDWIWMAHD-UHFFFAOYSA-N 1 2 341.480 3.336 20 30 EGEDLO CC(C)(C)c1nc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000292049690 265745168 /nfs/dbraw/zinc/74/51/68/265745168.db2.gz BDFSWHCQIYJPFB-HNNXBMFYSA-N 1 2 342.468 3.361 20 30 EGEDLO CC(C)(C)c1nc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000292049690 265745169 /nfs/dbraw/zinc/74/51/69/265745169.db2.gz BDFSWHCQIYJPFB-HNNXBMFYSA-N 1 2 342.468 3.361 20 30 EGEDLO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)c1cccc(C#N)c1 ZINC000189774736 266140107 /nfs/dbraw/zinc/14/01/07/266140107.db2.gz MJXOKTQJLLJNPV-CQSZACIVSA-N 1 2 332.407 3.378 20 30 EGEDLO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)c1cccc(C#N)c1 ZINC000189774736 266140109 /nfs/dbraw/zinc/14/01/09/266140109.db2.gz MJXOKTQJLLJNPV-CQSZACIVSA-N 1 2 332.407 3.378 20 30 EGEDLO CC(=O)N(c1nc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cs1)C1CC1 ZINC000265166604 266269363 /nfs/dbraw/zinc/26/93/63/266269363.db2.gz HRCALBZWDHUPDZ-GFCCVEGCSA-N 1 2 340.452 3.381 20 30 EGEDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccnc(C#N)c2)CC1 ZINC000286330031 267002045 /nfs/dbraw/zinc/00/20/45/267002045.db2.gz BIRLOPALRJNZQS-ZDUSSCGKSA-N 1 2 328.366 3.115 20 30 EGEDLO Cc1c(Cl)cnc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1C#N ZINC000273394451 267033266 /nfs/dbraw/zinc/03/32/66/267033266.db2.gz VLUFJMHOKWNDNX-AWEZNQCLSA-N 1 2 341.846 3.193 20 30 EGEDLO CCn1nccc1C1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459438412 267263177 /nfs/dbraw/zinc/26/31/77/267263177.db2.gz LWYWKYAQHWEKRQ-UHFFFAOYSA-N 1 2 339.399 3.062 20 30 EGEDLO Cc1cc(C[NH+]2CCN(c3c(C#N)cnc4ccc(C)cc43)CC2)no1 ZINC000291553879 267325172 /nfs/dbraw/zinc/32/51/72/267325172.db2.gz BGCNUXLEUBPUFI-UHFFFAOYSA-N 1 2 347.422 3.034 20 30 EGEDLO Cc1cc(NC(=O)c2ccnc(C#N)c2)c[nH+]c1N1CCCC[C@@H]1C ZINC000281052793 267345911 /nfs/dbraw/zinc/34/59/11/267345911.db2.gz BQDXFNVVYXWKMA-AWEZNQCLSA-N 1 2 335.411 3.288 20 30 EGEDLO COC(=O)C[N@H+](CCCOc1cccc(C#N)c1)Cc1ccccc1 ZINC000532167077 267363461 /nfs/dbraw/zinc/36/34/61/267363461.db2.gz GEBIHARHSGBVEY-UHFFFAOYSA-N 1 2 338.407 3.002 20 30 EGEDLO COC(=O)C[N@@H+](CCCOc1cccc(C#N)c1)Cc1ccccc1 ZINC000532167077 267363465 /nfs/dbraw/zinc/36/34/65/267363465.db2.gz GEBIHARHSGBVEY-UHFFFAOYSA-N 1 2 338.407 3.002 20 30 EGEDLO Cc1cc(NCc2ccc(N3CCCC3)[nH+]c2)c(C#N)cc1[N+](=O)[O-] ZINC000413044757 268012266 /nfs/dbraw/zinc/01/22/66/268012266.db2.gz NKSQGTBTGQIGSD-UHFFFAOYSA-N 1 2 337.383 3.382 20 30 EGEDLO Cc1oc(C#N)cc1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000436131152 268103677 /nfs/dbraw/zinc/10/36/77/268103677.db2.gz JYDCHHFASOQIKX-UHFFFAOYSA-N 1 2 344.440 3.400 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCc3cccc(C)c3C2)c(C#N)c1C ZINC000429572230 268104879 /nfs/dbraw/zinc/10/48/79/268104879.db2.gz GIFDEMRSZOJRKK-AWEZNQCLSA-N 1 2 337.423 3.462 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCc3cccc(C)c3C2)c(C#N)c1C ZINC000429572230 268104882 /nfs/dbraw/zinc/10/48/82/268104882.db2.gz GIFDEMRSZOJRKK-AWEZNQCLSA-N 1 2 337.423 3.462 20 30 EGEDLO N#Cc1ccc(NC[C@@H](c2ccc(F)cc2)[NH+]2CCOCC2)cc1 ZINC000301067775 268156456 /nfs/dbraw/zinc/15/64/56/268156456.db2.gz KPLABPSXSOPZNI-IBGZPJMESA-N 1 2 325.387 3.183 20 30 EGEDLO N#Cc1ccc(C2(C(=O)NCc3cccc(-c4[nH]cc[nH+]4)c3)CC2)cc1 ZINC000444287895 268210013 /nfs/dbraw/zinc/21/00/13/268210013.db2.gz DXJDQOUILIRIKY-UHFFFAOYSA-N 1 2 342.402 3.296 20 30 EGEDLO N#Cc1ccc(S(=O)(=O)Nc2cc[nH+]c(-c3ccccc3)c2)cc1 ZINC000479254185 268261036 /nfs/dbraw/zinc/26/10/36/268261036.db2.gz YESGRGXMYKAPPX-UHFFFAOYSA-N 1 2 335.388 3.421 20 30 EGEDLO N#Cc1cccc(-c2nnc(COc3ccccc3-n3cc[nH+]c3)o2)c1 ZINC000531194550 268264670 /nfs/dbraw/zinc/26/46/70/268264670.db2.gz JQSDHGCOOZCAGL-UHFFFAOYSA-N 1 2 343.346 3.373 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000046887427 275139202 /nfs/dbraw/zinc/13/92/02/275139202.db2.gz JTBDHAOVQFQQFP-UHFFFAOYSA-N 1 2 347.422 3.058 20 30 EGEDLO N#Cc1csc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000279632365 275345520 /nfs/dbraw/zinc/34/55/20/275345520.db2.gz ZJFPGDQQPOKLKT-UHFFFAOYSA-N 1 2 340.452 3.172 20 30 EGEDLO N#Cc1ccccc1N1CC[NH+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC000126935754 307576631 /nfs/dbraw/zinc/57/66/31/307576631.db2.gz MFSKQGOSSZOCFS-UHFFFAOYSA-N 1 2 331.341 3.298 20 30 EGEDLO C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1c(F)cccc1Cl ZINC000538280054 314236966 /nfs/dbraw/zinc/23/69/66/314236966.db2.gz SFOAAFSSLITKMB-LBPRGKRZSA-N 1 2 345.805 3.318 20 30 EGEDLO CC[C@H](C)[C@H]([NH2+]CCOc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000540592441 314390934 /nfs/dbraw/zinc/39/09/34/314390934.db2.gz MNJDEZGQEFTHLG-YOEHRIQHSA-N 1 2 332.444 3.283 20 30 EGEDLO Cc1cc(-c2noc([C@@H](C)[NH2+]Cc3ccc(C#N)cn3)n2)ccc1F ZINC000554523737 315327860 /nfs/dbraw/zinc/32/78/60/315327860.db2.gz VOFOENPXWMIDST-GFCCVEGCSA-N 1 2 337.358 3.302 20 30 EGEDLO C=C1CC[NH+](CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)CC1 ZINC000264495385 455224480 /nfs/dbraw/zinc/22/44/80/455224480.db2.gz UIAPVVLXYAAQHO-INIZCTEOSA-N 1 2 339.395 3.202 20 30 EGEDLO C[C@H]1CN(c2ccc(CNc3c(Cl)cccc3C#N)c[nH+]2)CCO1 ZINC000264618439 455249512 /nfs/dbraw/zinc/24/95/12/455249512.db2.gz HMHMZAONXQGHMA-ZDUSSCGKSA-N 1 2 342.830 3.444 20 30 EGEDLO CC(C)(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612165642 460557597 /nfs/dbraw/zinc/55/75/97/460557597.db2.gz OTGMEVLIJZWVFU-HXUWFJFHSA-N 1 2 327.472 3.439 20 30 EGEDLO CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612165642 460557604 /nfs/dbraw/zinc/55/76/04/460557604.db2.gz OTGMEVLIJZWVFU-HXUWFJFHSA-N 1 2 327.472 3.439 20 30 EGEDLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612167297 460559312 /nfs/dbraw/zinc/55/93/12/460559312.db2.gz KUHYQKKUQJUBMW-HXUWFJFHSA-N 1 2 327.472 3.359 20 30 EGEDLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612167297 460559316 /nfs/dbraw/zinc/55/93/16/460559316.db2.gz KUHYQKKUQJUBMW-HXUWFJFHSA-N 1 2 327.472 3.359 20 30 EGEDLO C=CC[N@@H+](CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C)Cc1cccs1 ZINC000016395451 453604982 /nfs/dbraw/zinc/60/49/82/453604982.db2.gz KKUMOKNETZCRQC-HOCLYGCPSA-N 1 2 349.500 3.141 20 30 EGEDLO C=CC[N@H+](CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C)Cc1cccs1 ZINC000016395451 453604986 /nfs/dbraw/zinc/60/49/86/453604986.db2.gz KKUMOKNETZCRQC-HOCLYGCPSA-N 1 2 349.500 3.141 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1ccc(F)cc1F ZINC000024955535 453752502 /nfs/dbraw/zinc/75/25/02/453752502.db2.gz VGKJBOGKAUKYGA-ZDUSSCGKSA-N 1 2 335.398 3.128 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1ccc(F)cc1F ZINC000024955535 453752506 /nfs/dbraw/zinc/75/25/06/453752506.db2.gz VGKJBOGKAUKYGA-ZDUSSCGKSA-N 1 2 335.398 3.128 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(F)c2)c(C#N)c1C ZINC000026194115 453794563 /nfs/dbraw/zinc/79/45/63/453794563.db2.gz YCEKFFPVCIAJPX-LBPRGKRZSA-N 1 2 329.375 3.366 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(F)c2)c(C#N)c1C ZINC000026194115 453794565 /nfs/dbraw/zinc/79/45/65/453794565.db2.gz YCEKFFPVCIAJPX-LBPRGKRZSA-N 1 2 329.375 3.366 20 30 EGEDLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026328191 453797136 /nfs/dbraw/zinc/79/71/36/453797136.db2.gz UTAUITYNUKPRQD-AWEZNQCLSA-N 1 2 335.407 3.220 20 30 EGEDLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026328191 453797139 /nfs/dbraw/zinc/79/71/39/453797139.db2.gz UTAUITYNUKPRQD-AWEZNQCLSA-N 1 2 335.407 3.220 20 30 EGEDLO Cc1cc(N)nc(SCCC(=O)Nc2ccc(C#N)c(Cl)c2)[nH+]1 ZINC000028905479 453825377 /nfs/dbraw/zinc/82/53/77/453825377.db2.gz YNJHFNCBURFOOP-UHFFFAOYSA-N 1 2 347.831 3.013 20 30 EGEDLO CC[N@@H+](CC(=O)NCc1ccccc1OC1CCCC1)C[C@@H](C)C#N ZINC000066424840 453844245 /nfs/dbraw/zinc/84/42/45/453844245.db2.gz DXDXXAVRUHKXAP-INIZCTEOSA-N 1 2 343.471 3.106 20 30 EGEDLO CC[N@H+](CC(=O)NCc1ccccc1OC1CCCC1)C[C@@H](C)C#N ZINC000066424840 453844247 /nfs/dbraw/zinc/84/42/47/453844247.db2.gz DXDXXAVRUHKXAP-INIZCTEOSA-N 1 2 343.471 3.106 20 30 EGEDLO Cc1ncc(C[N@H+](C)CC(=O)Nc2ccccc2SCC#N)s1 ZINC000053144150 453860888 /nfs/dbraw/zinc/86/08/88/453860888.db2.gz CWRYFFGPDWBKCP-UHFFFAOYSA-N 1 2 346.481 3.138 20 30 EGEDLO Cc1ncc(C[N@@H+](C)CC(=O)Nc2ccccc2SCC#N)s1 ZINC000053144150 453860891 /nfs/dbraw/zinc/86/08/91/453860891.db2.gz CWRYFFGPDWBKCP-UHFFFAOYSA-N 1 2 346.481 3.138 20 30 EGEDLO Cc1ccc([C@@H](C/N=C/c2cc([N+](=O)[O-])ccc2O)[NH+](C)C)cc1 ZINC000067005678 453893559 /nfs/dbraw/zinc/89/35/59/453893559.db2.gz DTFPMVDUYIGAJD-HDZGYNCQSA-N 1 2 327.384 3.331 20 30 EGEDLO N#Cc1ccc(/C=C\C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000053896798 453899637 /nfs/dbraw/zinc/89/96/37/453899637.db2.gz LPYBEMRUQNAEMY-KTKRTIGZSA-N 1 2 342.402 3.133 20 30 EGEDLO C=CCN(CC=C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000054007053 453905273 /nfs/dbraw/zinc/90/52/73/453905273.db2.gz NSENYLCCJNEQSF-MRXNPFEDSA-N 1 2 328.391 3.032 20 30 EGEDLO Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000076153930 453972348 /nfs/dbraw/zinc/97/23/48/453972348.db2.gz YROILZRVNQWLKW-LEWJYISDSA-N 1 2 347.462 3.383 20 30 EGEDLO Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000076153930 453972353 /nfs/dbraw/zinc/97/23/53/453972353.db2.gz YROILZRVNQWLKW-LEWJYISDSA-N 1 2 347.462 3.383 20 30 EGEDLO COc1cc(C#N)ccc1OCCCC(=O)Nc1cc[nH+]c(C)c1 ZINC000076340621 453990454 /nfs/dbraw/zinc/99/04/54/453990454.db2.gz YZHZRHPJKQAGQG-UHFFFAOYSA-N 1 2 325.368 3.068 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000076572138 454016531 /nfs/dbraw/zinc/01/65/31/454016531.db2.gz DFBTZMMAWNGCHS-UHFFFAOYSA-N 1 2 325.412 3.044 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000076572138 454016533 /nfs/dbraw/zinc/01/65/33/454016533.db2.gz DFBTZMMAWNGCHS-UHFFFAOYSA-N 1 2 325.412 3.044 20 30 EGEDLO COc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000069085597 454077814 /nfs/dbraw/zinc/07/78/14/454077814.db2.gz AZIAEZUMQVBCHK-OAHLLOKOSA-N 1 2 341.436 3.404 20 30 EGEDLO COc1ccccc1[C@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000069085597 454077817 /nfs/dbraw/zinc/07/78/17/454077817.db2.gz AZIAEZUMQVBCHK-OAHLLOKOSA-N 1 2 341.436 3.404 20 30 EGEDLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000184534859 455397838 /nfs/dbraw/zinc/39/78/38/455397838.db2.gz LUAMQGJDXHZEHV-NHYWBVRUSA-N 1 2 347.802 3.109 20 30 EGEDLO Cc1sc2[nH]c(C[N@@H+](C)Cc3cccc(C#N)c3)nc(=O)c2c1C ZINC000089883019 454224995 /nfs/dbraw/zinc/22/49/95/454224995.db2.gz BNDKSHYFCKEKGA-UHFFFAOYSA-N 1 2 338.436 3.105 20 30 EGEDLO Cc1sc2[nH]c(C[N@H+](C)Cc3cccc(C#N)c3)nc(=O)c2c1C ZINC000089883019 454224998 /nfs/dbraw/zinc/22/49/98/454224998.db2.gz BNDKSHYFCKEKGA-UHFFFAOYSA-N 1 2 338.436 3.105 20 30 EGEDLO C[N@H+](CC(=O)Nc1ccc(F)cc1Cl)Cc1ccc(C#N)cc1 ZINC000046518972 454260837 /nfs/dbraw/zinc/26/08/37/454260837.db2.gz LHVMUBBJJJNNBP-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO C[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)Cc1ccc(C#N)cc1 ZINC000046518972 454260838 /nfs/dbraw/zinc/26/08/38/454260838.db2.gz LHVMUBBJJJNNBP-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000046528475 454261117 /nfs/dbraw/zinc/26/11/17/454261117.db2.gz BSQSUSTULPDUMX-UHFFFAOYSA-N 1 2 338.798 3.080 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000046528475 454261123 /nfs/dbraw/zinc/26/11/23/454261123.db2.gz BSQSUSTULPDUMX-UHFFFAOYSA-N 1 2 338.798 3.080 20 30 EGEDLO N#Cc1ccc(F)c(C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)c1 ZINC000078546481 454274516 /nfs/dbraw/zinc/27/45/16/454274516.db2.gz XHRMMXCNVGMDTN-UHFFFAOYSA-N 1 2 338.382 3.498 20 30 EGEDLO N#C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1Cl ZINC000132273302 454325895 /nfs/dbraw/zinc/32/58/95/454325895.db2.gz RAXJWMKHILTKRN-MFKMUULPSA-N 1 2 349.221 3.133 20 30 EGEDLO N#C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1Cl ZINC000132273691 454326426 /nfs/dbraw/zinc/32/64/26/454326426.db2.gz RAXJWMKHILTKRN-GWCFXTLKSA-N 1 2 349.221 3.133 20 30 EGEDLO C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)C2(C#N)CCC2)c1 ZINC000120852063 454355937 /nfs/dbraw/zinc/35/59/37/454355937.db2.gz RQVPCCATUOYTBY-UHFFFAOYSA-N 1 2 340.452 3.407 20 30 EGEDLO C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)C2(C#N)CCC2)c1 ZINC000120852063 454355942 /nfs/dbraw/zinc/35/59/42/454355942.db2.gz RQVPCCATUOYTBY-UHFFFAOYSA-N 1 2 340.452 3.407 20 30 EGEDLO C#CCN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)C1CCCCC1 ZINC000062477679 454377583 /nfs/dbraw/zinc/37/75/83/454377583.db2.gz CCNNYFZVNZXRNO-UHFFFAOYSA-N 1 2 340.471 3.159 20 30 EGEDLO COc1ccccc1[C@H]([NH2+]Cc1ccc(C#N)cc1)c1nccn1C ZINC000073123457 454397106 /nfs/dbraw/zinc/39/71/06/454397106.db2.gz AKNBUUHARRPGMK-IBGZPJMESA-N 1 2 332.407 3.180 20 30 EGEDLO C=CC[N@@H+](C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000121154334 454398252 /nfs/dbraw/zinc/39/82/52/454398252.db2.gz GPQDYGHVIHOKOM-CQSZACIVSA-N 1 2 329.425 3.137 20 30 EGEDLO C=CC[N@H+](C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000121154334 454398256 /nfs/dbraw/zinc/39/82/56/454398256.db2.gz GPQDYGHVIHOKOM-CQSZACIVSA-N 1 2 329.425 3.137 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1cc(Br)cs1 ZINC000047751971 454405595 /nfs/dbraw/zinc/40/55/95/454405595.db2.gz GBYWCHREOCEPHD-UHFFFAOYSA-N 1 2 343.290 3.143 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1cc(Br)cs1 ZINC000047751971 454405599 /nfs/dbraw/zinc/40/55/99/454405599.db2.gz GBYWCHREOCEPHD-UHFFFAOYSA-N 1 2 343.290 3.143 20 30 EGEDLO COc1ccc(C)cc1[C@H](C)Nc1[nH+]cnc2c1cnn2CCC#N ZINC000097199725 454421813 /nfs/dbraw/zinc/42/18/13/454421813.db2.gz IUEYSXIHMFHWRD-ZDUSSCGKSA-N 1 2 336.399 3.230 20 30 EGEDLO CCN(CC)c1ccc(CNC(=O)c2c(F)cc(C#N)cc2F)c[nH+]1 ZINC000121376309 454427194 /nfs/dbraw/zinc/42/71/94/454427194.db2.gz RVVUUNGPDVCPJI-UHFFFAOYSA-N 1 2 344.365 3.008 20 30 EGEDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1cccc(SCC#N)c1 ZINC000079546404 454436013 /nfs/dbraw/zinc/43/60/13/454436013.db2.gz SCKPLRZWJYRTJQ-UHFFFAOYSA-N 1 2 328.441 3.085 20 30 EGEDLO CC[N@@H+](CC(=O)NCCc1cccc(Cl)c1Cl)C[C@@H](C)C#N ZINC000064249085 454469980 /nfs/dbraw/zinc/46/99/80/454469980.db2.gz JXXPJHCHCDBENO-LBPRGKRZSA-N 1 2 342.270 3.134 20 30 EGEDLO CC[N@H+](CC(=O)NCCc1cccc(Cl)c1Cl)C[C@@H](C)C#N ZINC000064249085 454469984 /nfs/dbraw/zinc/46/99/84/454469984.db2.gz JXXPJHCHCDBENO-LBPRGKRZSA-N 1 2 342.270 3.134 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CCCN(C(=O)CC)CC2)cc1Cl ZINC000092186840 454532153 /nfs/dbraw/zinc/53/21/53/454532153.db2.gz ZUEXJULFTHOQEZ-UHFFFAOYSA-N 1 2 336.863 3.349 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CCCN(C(=O)CC)CC2)cc1Cl ZINC000092186840 454532156 /nfs/dbraw/zinc/53/21/56/454532156.db2.gz ZUEXJULFTHOQEZ-UHFFFAOYSA-N 1 2 336.863 3.349 20 30 EGEDLO CCc1[nH+]c2ccccc2n1CC(=O)N(CCC#N)Cc1ccco1 ZINC000074259502 454552381 /nfs/dbraw/zinc/55/23/81/454552381.db2.gz DGPLJGDXAIOCTG-UHFFFAOYSA-N 1 2 336.395 3.134 20 30 EGEDLO Cc1cc(C)cc(C2=CC[N@@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)c1 ZINC000092428375 454564943 /nfs/dbraw/zinc/56/49/43/454564943.db2.gz MRFUTOMMRJAJKK-OAQYLSRUSA-N 1 2 345.446 3.491 20 30 EGEDLO Cc1cc(C)cc(C2=CC[N@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)c1 ZINC000092428375 454564946 /nfs/dbraw/zinc/56/49/46/454564946.db2.gz MRFUTOMMRJAJKK-OAQYLSRUSA-N 1 2 345.446 3.491 20 30 EGEDLO Cc1cccc(C2=CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)c1 ZINC000092821737 454642481 /nfs/dbraw/zinc/64/24/81/454642481.db2.gz CJUMVXQSWYMVIK-FQEVSTJZSA-N 1 2 325.456 3.139 20 30 EGEDLO Cc1cccc(C2=CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)c1 ZINC000092821737 454642485 /nfs/dbraw/zinc/64/24/85/454642485.db2.gz CJUMVXQSWYMVIK-FQEVSTJZSA-N 1 2 325.456 3.139 20 30 EGEDLO CC(C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(F)F ZINC000135393944 454672171 /nfs/dbraw/zinc/67/21/71/454672171.db2.gz SFDBAJYXEIQXDJ-UHFFFAOYSA-N 1 2 341.427 3.413 20 30 EGEDLO CC(C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(F)F ZINC000135393944 454672175 /nfs/dbraw/zinc/67/21/75/454672175.db2.gz SFDBAJYXEIQXDJ-UHFFFAOYSA-N 1 2 341.427 3.413 20 30 EGEDLO COCC[N@H+](CCC#N)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093100049 454681973 /nfs/dbraw/zinc/68/19/73/454681973.db2.gz ABRLXSCJGGSYHT-UHFFFAOYSA-N 1 2 329.356 3.217 20 30 EGEDLO COCC[N@@H+](CCC#N)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093100049 454681976 /nfs/dbraw/zinc/68/19/76/454681976.db2.gz ABRLXSCJGGSYHT-UHFFFAOYSA-N 1 2 329.356 3.217 20 30 EGEDLO N#CCC[N@H+](CCCc1nc(-c2ccccc2)no1)Cc1ccccn1 ZINC000081158938 454692319 /nfs/dbraw/zinc/69/23/19/454692319.db2.gz DGBPCNOUGHNFFC-UHFFFAOYSA-N 1 2 347.422 3.480 20 30 EGEDLO N#CCC[N@@H+](CCCc1nc(-c2ccccc2)no1)Cc1ccccn1 ZINC000081158938 454692324 /nfs/dbraw/zinc/69/23/24/454692324.db2.gz DGBPCNOUGHNFFC-UHFFFAOYSA-N 1 2 347.422 3.480 20 30 EGEDLO C=C(C)COc1cccc(NC(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000124088086 454698271 /nfs/dbraw/zinc/69/82/71/454698271.db2.gz WDMXMZPOMKGPII-UHFFFAOYSA-N 1 2 328.416 3.392 20 30 EGEDLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)NC2(C#N)CCCCC2)s1 ZINC000106875704 454726638 /nfs/dbraw/zinc/72/66/38/454726638.db2.gz QRYHSLFNTWBJSE-CYBMUJFWSA-N 1 2 334.489 3.095 20 30 EGEDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)NC2(C#N)CCCCC2)s1 ZINC000106875704 454726644 /nfs/dbraw/zinc/72/66/44/454726644.db2.gz QRYHSLFNTWBJSE-CYBMUJFWSA-N 1 2 334.489 3.095 20 30 EGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCCCC#N ZINC000176389693 454737950 /nfs/dbraw/zinc/73/79/50/454737950.db2.gz BRGFTCPXXPEZDG-UHFFFAOYSA-N 1 2 343.475 3.023 20 30 EGEDLO N#Cc1cccc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1 ZINC000107178587 454745887 /nfs/dbraw/zinc/74/58/87/454745887.db2.gz VLAZMWKQZLPALF-UHFFFAOYSA-N 1 2 334.423 3.264 20 30 EGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000124679040 454760199 /nfs/dbraw/zinc/76/01/99/454760199.db2.gz KJGVBNHNTXJVGA-NRFANRHFSA-N 1 2 333.410 3.060 20 30 EGEDLO C[C@@H](CNC(=O)c1ccccc1-c1ccccc1C#N)Cn1cc[nH+]c1 ZINC000153547890 454805108 /nfs/dbraw/zinc/80/51/08/454805108.db2.gz MMODFYSCWNBOLU-INIZCTEOSA-N 1 2 344.418 3.488 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000177032280 454813989 /nfs/dbraw/zinc/81/39/89/454813989.db2.gz QWDSOPCTWIWNQA-JKSUJKDBSA-N 1 2 341.436 3.108 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000177032280 454813991 /nfs/dbraw/zinc/81/39/91/454813991.db2.gz QWDSOPCTWIWNQA-JKSUJKDBSA-N 1 2 341.436 3.108 20 30 EGEDLO C[C@]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)(C(N)=O)c1ccccc1 ZINC000177086659 454821627 /nfs/dbraw/zinc/82/16/27/454821627.db2.gz DCIAUVYSFDEMSY-GOSISDBHSA-N 1 2 346.352 3.047 20 30 EGEDLO COc1ccccc1[C@@H](C)N(C)C(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000111250444 454859073 /nfs/dbraw/zinc/85/90/73/454859073.db2.gz AQJVVJRBSRKQQP-MRXNPFEDSA-N 1 2 345.487 3.476 20 30 EGEDLO COc1ccccc1[C@@H](C)N(C)C(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000111250444 454859076 /nfs/dbraw/zinc/85/90/76/454859076.db2.gz AQJVVJRBSRKQQP-MRXNPFEDSA-N 1 2 345.487 3.476 20 30 EGEDLO C=C(C)CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000154322946 454884777 /nfs/dbraw/zinc/88/47/77/454884777.db2.gz HKJGCSOANBONBO-HNNXBMFYSA-N 1 2 337.261 3.278 20 30 EGEDLO C=CCOc1cccc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000154970132 454949986 /nfs/dbraw/zinc/94/99/86/454949986.db2.gz ARKXMSUZDFSIJM-UHFFFAOYSA-N 1 2 336.435 3.209 20 30 EGEDLO Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000178582409 454963387 /nfs/dbraw/zinc/96/33/87/454963387.db2.gz OSRRCZHLVRCWQA-HNNXBMFYSA-N 1 2 337.427 3.087 20 30 EGEDLO CCOc1ccccc1C[N@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000114725202 454973996 /nfs/dbraw/zinc/97/39/96/454973996.db2.gz YPFAHSWXINIJPM-UHFFFAOYSA-N 1 2 341.411 3.237 20 30 EGEDLO CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000114725202 454974000 /nfs/dbraw/zinc/97/40/00/454974000.db2.gz YPFAHSWXINIJPM-UHFFFAOYSA-N 1 2 341.411 3.237 20 30 EGEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3cccc(N4CCOC4=O)c3)n2c1 ZINC000151414913 454981914 /nfs/dbraw/zinc/98/19/14/454981914.db2.gz SRUCDOUETUPYHP-VOTSOKGWSA-N 1 2 347.374 3.495 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000171104386 455031243 /nfs/dbraw/zinc/03/12/43/455031243.db2.gz GQKZXDITGVFPGU-GOSISDBHSA-N 1 2 338.386 3.093 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000171104386 455031245 /nfs/dbraw/zinc/03/12/45/455031245.db2.gz GQKZXDITGVFPGU-GOSISDBHSA-N 1 2 338.386 3.093 20 30 EGEDLO C=C(C)CN(CC)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000115842898 455033378 /nfs/dbraw/zinc/03/33/78/455033378.db2.gz VCZFCZQLKBZESA-HNNXBMFYSA-N 1 2 325.403 3.175 20 30 EGEDLO CCc1nc(CN2CC[NH+](Cc3cc(C#N)ccc3F)CC2)cs1 ZINC000128466221 455058451 /nfs/dbraw/zinc/05/84/51/455058451.db2.gz YGVQUYUHSWBOSB-UHFFFAOYSA-N 1 2 344.459 3.034 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117352987 455084723 /nfs/dbraw/zinc/08/47/23/455084723.db2.gz DASNRLSFWCPPQQ-UHFFFAOYSA-N 1 2 344.299 3.004 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117352987 455084729 /nfs/dbraw/zinc/08/47/29/455084729.db2.gz DASNRLSFWCPPQQ-UHFFFAOYSA-N 1 2 344.299 3.004 20 30 EGEDLO O[C@H](C[C@@H]1COCC[N@@H+]1CC#Cc1ccc(F)cc1)c1ccccc1 ZINC000157069553 455163590 /nfs/dbraw/zinc/16/35/90/455163590.db2.gz KOEXDECSLAJORU-NHCUHLMSSA-N 1 2 339.410 3.002 20 30 EGEDLO O[C@H](C[C@@H]1COCC[N@H+]1CC#Cc1ccc(F)cc1)c1ccccc1 ZINC000157069553 455163592 /nfs/dbraw/zinc/16/35/92/455163592.db2.gz KOEXDECSLAJORU-NHCUHLMSSA-N 1 2 339.410 3.002 20 30 EGEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263938303 455169103 /nfs/dbraw/zinc/16/91/03/455169103.db2.gz OVMHDFDBZHCYST-CQSZACIVSA-N 1 2 340.431 3.249 20 30 EGEDLO C=CC[C@H](C)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000265416436 455321658 /nfs/dbraw/zinc/32/16/58/455321658.db2.gz INBHAQHLXHTASU-SWLSCSKDSA-N 1 2 332.835 3.427 20 30 EGEDLO CC(C)(C#N)C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000612585336 460669447 /nfs/dbraw/zinc/66/94/47/460669447.db2.gz XTZMOVXWMWAVCA-UHFFFAOYSA-N 1 2 333.233 3.479 20 30 EGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000174578022 455404689 /nfs/dbraw/zinc/40/46/89/455404689.db2.gz NLCMJIFJHAVCKJ-SFHVURJKSA-N 1 2 332.407 3.210 20 30 EGEDLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(C#N)cc3)n2)c1 ZINC000174657223 455409684 /nfs/dbraw/zinc/40/96/84/455409684.db2.gz LDCCEVHHNVABND-CYBMUJFWSA-N 1 2 334.379 3.468 20 30 EGEDLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)o1 ZINC000184775562 455446351 /nfs/dbraw/zinc/44/63/51/455446351.db2.gz WZSUTPQRDWHURQ-CXAGYDPISA-N 1 2 341.411 3.018 20 30 EGEDLO C=CCN(CCOC)C(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000191959066 455534329 /nfs/dbraw/zinc/53/43/29/455534329.db2.gz TVPAYSDYAQPFGD-UHFFFAOYSA-N 1 2 326.396 3.457 20 30 EGEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1ccc(-c2ccsc2)cc1 ZINC000277605477 455611974 /nfs/dbraw/zinc/61/19/74/455611974.db2.gz MVWWKTWWGBYNQN-UHFFFAOYSA-N 1 2 331.441 3.119 20 30 EGEDLO CN(CCC#N)c1ccc(C[NH2+]Cc2nnc(C(C)(C)C)s2)cc1 ZINC000268197732 455616009 /nfs/dbraw/zinc/61/60/09/455616009.db2.gz MAZXTXZUXVHYDR-UHFFFAOYSA-N 1 2 343.500 3.475 20 30 EGEDLO CC[C@@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000185789491 455622741 /nfs/dbraw/zinc/62/27/41/455622741.db2.gz BWCLFZNBZHAZRN-MRXNPFEDSA-N 1 2 325.437 3.395 20 30 EGEDLO CC[C@@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1sccc1C#N ZINC000185789491 455622747 /nfs/dbraw/zinc/62/27/47/455622747.db2.gz BWCLFZNBZHAZRN-MRXNPFEDSA-N 1 2 325.437 3.395 20 30 EGEDLO COc1cc(C#N)ccc1C[N@H+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000292400520 455651918 /nfs/dbraw/zinc/65/19/18/455651918.db2.gz TVJGOCUSASZHTJ-GASCZTMLSA-N 1 2 343.471 3.034 20 30 EGEDLO COc1cc(C#N)ccc1C[N@@H+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000292400520 455651922 /nfs/dbraw/zinc/65/19/22/455651922.db2.gz TVJGOCUSASZHTJ-GASCZTMLSA-N 1 2 343.471 3.034 20 30 EGEDLO Cc1cccnc1C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000277780519 455663499 /nfs/dbraw/zinc/66/34/99/455663499.db2.gz NTXFERYBNKVOBF-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C3(C#N)CCCC3)n2)C1 ZINC000292448906 455665896 /nfs/dbraw/zinc/66/58/96/455665896.db2.gz FUAUJRZXZXJBMX-CYBMUJFWSA-N 1 2 332.473 3.397 20 30 EGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C3(C#N)CCCC3)n2)C1 ZINC000292448906 455665902 /nfs/dbraw/zinc/66/59/02/455665902.db2.gz FUAUJRZXZXJBMX-CYBMUJFWSA-N 1 2 332.473 3.397 20 30 EGEDLO C#CC[C@H](Nc1cc(N2CCCC[C@@H]2CO)nc[nH+]1)c1ccccc1 ZINC000277949686 455718272 /nfs/dbraw/zinc/71/82/72/455718272.db2.gz XPHMJAKYBSLCTI-MSOLQXFVSA-N 1 2 336.439 3.004 20 30 EGEDLO C#CC[C@H](Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1)c1ccccc1 ZINC000277949686 455718279 /nfs/dbraw/zinc/71/82/79/455718279.db2.gz XPHMJAKYBSLCTI-MSOLQXFVSA-N 1 2 336.439 3.004 20 30 EGEDLO N#CC1CC[NH+]([C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000186304056 455738809 /nfs/dbraw/zinc/73/88/09/455738809.db2.gz UGFFMLBZWDBKMW-OAHLLOKOSA-N 1 2 337.345 3.046 20 30 EGEDLO COc1ccc(NC(=O)CC[N@H+](CC#N)C2CCCC2)cc1Cl ZINC000268943103 455738839 /nfs/dbraw/zinc/73/88/39/455738839.db2.gz LAGZAZODWRVCML-UHFFFAOYSA-N 1 2 335.835 3.445 20 30 EGEDLO COc1ccc(NC(=O)CC[N@@H+](CC#N)C2CCCC2)cc1Cl ZINC000268943103 455738846 /nfs/dbraw/zinc/73/88/46/455738846.db2.gz LAGZAZODWRVCML-UHFFFAOYSA-N 1 2 335.835 3.445 20 30 EGEDLO C=C(C)COc1cccc(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)c1 ZINC000193114291 455743013 /nfs/dbraw/zinc/74/30/13/455743013.db2.gz ZDENXRZBWSTSLD-LJQANCHMSA-N 1 2 344.455 3.223 20 30 EGEDLO C=C(C)COc1cccc(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)c1 ZINC000193114291 455743018 /nfs/dbraw/zinc/74/30/18/455743018.db2.gz ZDENXRZBWSTSLD-LJQANCHMSA-N 1 2 344.455 3.223 20 30 EGEDLO C[C@@H](C#N)C[N@H+](C)C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000293003531 455770453 /nfs/dbraw/zinc/77/04/53/455770453.db2.gz GXFHLTROFKKFRQ-IINYFYTJSA-N 1 2 345.668 3.401 20 30 EGEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000293003531 455770454 /nfs/dbraw/zinc/77/04/54/455770454.db2.gz GXFHLTROFKKFRQ-IINYFYTJSA-N 1 2 345.668 3.401 20 30 EGEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000249854855 455778419 /nfs/dbraw/zinc/77/84/19/455778419.db2.gz CVXQMCMXQJZCLG-NWDGAFQWSA-N 1 2 343.349 3.394 20 30 EGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000249854855 455778424 /nfs/dbraw/zinc/77/84/24/455778424.db2.gz CVXQMCMXQJZCLG-NWDGAFQWSA-N 1 2 343.349 3.394 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000249943285 455783751 /nfs/dbraw/zinc/78/37/51/455783751.db2.gz XAXWSJLJJLGKPI-JXXFODFXSA-N 1 2 349.434 3.347 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000249943285 455783753 /nfs/dbraw/zinc/78/37/53/455783753.db2.gz XAXWSJLJJLGKPI-JXXFODFXSA-N 1 2 349.434 3.347 20 30 EGEDLO C#C[C@H](NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000294207260 455808680 /nfs/dbraw/zinc/80/86/80/455808680.db2.gz LWLUMJCDCRZVTJ-JZXOWHBKSA-N 1 2 343.471 3.075 20 30 EGEDLO C#C[C@H](NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000294207260 455808683 /nfs/dbraw/zinc/80/86/83/455808683.db2.gz LWLUMJCDCRZVTJ-JZXOWHBKSA-N 1 2 343.471 3.075 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000186662759 455814688 /nfs/dbraw/zinc/81/46/88/455814688.db2.gz NGCOSSRXYKVSHC-UHFFFAOYSA-N 1 2 345.874 3.436 20 30 EGEDLO CC[C@@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccc(C#N)cc1 ZINC000278356724 455828138 /nfs/dbraw/zinc/82/81/38/455828138.db2.gz BEGYORBXGMWLEB-GOSISDBHSA-N 1 2 347.422 3.496 20 30 EGEDLO Cn1cc[nH+]c1[C@H]1N(c2nc(C(F)(F)F)ccc2C#N)CC1(C)C ZINC000296348331 455915430 /nfs/dbraw/zinc/91/54/30/455915430.db2.gz QWFDTEUUWQJJKU-GFCCVEGCSA-N 1 2 335.333 3.293 20 30 EGEDLO C[C@@H](CC#N)N(C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270385358 455944444 /nfs/dbraw/zinc/94/44/44/455944444.db2.gz WUSUSARXIJZDTO-AWEZNQCLSA-N 1 2 335.411 3.368 20 30 EGEDLO C=CC[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccccc1 ZINC000188188342 456016768 /nfs/dbraw/zinc/01/67/68/456016768.db2.gz YOSGOHKDCYBMFW-CQSZACIVSA-N 1 2 327.453 3.429 20 30 EGEDLO C=CC[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccccc1 ZINC000188188342 456016770 /nfs/dbraw/zinc/01/67/70/456016770.db2.gz YOSGOHKDCYBMFW-CQSZACIVSA-N 1 2 327.453 3.429 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2C[C@H](COC)O[C@@H](C)C2)cc1Cl ZINC000188386588 456054510 /nfs/dbraw/zinc/05/45/10/456054510.db2.gz XASMLNNEQCLRCO-DZGCQCFKSA-N 1 2 325.836 3.141 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2C[C@H](COC)O[C@@H](C)C2)cc1Cl ZINC000188386588 456054516 /nfs/dbraw/zinc/05/45/16/456054516.db2.gz XASMLNNEQCLRCO-DZGCQCFKSA-N 1 2 325.836 3.141 20 30 EGEDLO C#C[C@@H](NC(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21)C(C)C ZINC000281034828 456116627 /nfs/dbraw/zinc/11/66/27/456116627.db2.gz IHDJBTUUWGVWMF-IAGOWNOFSA-N 1 2 338.455 3.177 20 30 EGEDLO Cc1c(C(=O)/C=C/c2[nH+]ccn2CC(F)(F)F)cnn1C(C)C ZINC000188890492 456163391 /nfs/dbraw/zinc/16/33/91/456163391.db2.gz OLZVPEIQCMKVOE-SNAWJCMRSA-N 1 2 326.322 3.427 20 30 EGEDLO N#Cc1ccc(NC(=O)NCc2cn3c([nH+]2)CCCC3)cc1Cl ZINC000263811881 456230284 /nfs/dbraw/zinc/23/02/84/456230284.db2.gz WVMLJIOXFVRHGJ-UHFFFAOYSA-N 1 2 329.791 3.066 20 30 EGEDLO CC[C@@H](CC#N)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000274680410 456263025 /nfs/dbraw/zinc/26/30/25/456263025.db2.gz WTDMOJKKQNFMTF-HNNXBMFYSA-N 1 2 335.411 3.416 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000275447739 456275173 /nfs/dbraw/zinc/27/51/73/456275173.db2.gz HYKQNAQQEBMNEH-OXJNMPFZSA-N 1 2 346.471 3.247 20 30 EGEDLO COc1cc(C[NH2+]C2(c3noc(C)n3)CCCCC2)ccc1C#N ZINC000281608199 456275457 /nfs/dbraw/zinc/27/54/57/456275457.db2.gz GKIRKDGXNCRUGM-UHFFFAOYSA-N 1 2 326.400 3.208 20 30 EGEDLO N#Cc1cccc(OC2CC[NH+](Cc3ccn(C(F)F)n3)CC2)c1 ZINC000347704006 456315779 /nfs/dbraw/zinc/31/57/79/456315779.db2.gz NNYHGDILTHDBLS-UHFFFAOYSA-N 1 2 332.354 3.193 20 30 EGEDLO CC(C)(C)OC(=O)NCC1(C[N@H+](CCC#N)Cc2ccco2)CC1 ZINC000297882497 456316976 /nfs/dbraw/zinc/31/69/76/456316976.db2.gz QMGOAUYDNYRQAW-UHFFFAOYSA-N 1 2 333.432 3.300 20 30 EGEDLO CC(C)(C)OC(=O)NCC1(C[N@@H+](CCC#N)Cc2ccco2)CC1 ZINC000297882497 456316983 /nfs/dbraw/zinc/31/69/83/456316983.db2.gz QMGOAUYDNYRQAW-UHFFFAOYSA-N 1 2 333.432 3.300 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000352797482 456318538 /nfs/dbraw/zinc/31/85/38/456318538.db2.gz IMEOXKJKKLUZEK-GOSISDBHSA-N 1 2 348.487 3.187 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000352797482 456318548 /nfs/dbraw/zinc/31/85/48/456318548.db2.gz IMEOXKJKKLUZEK-GOSISDBHSA-N 1 2 348.487 3.187 20 30 EGEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1ccc(C#N)s1 ZINC000337546617 456371429 /nfs/dbraw/zinc/37/14/29/456371429.db2.gz OXFZHNXWRLFABV-CQSZACIVSA-N 1 2 327.453 3.271 20 30 EGEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1ccc(C#N)s1 ZINC000337546617 456371434 /nfs/dbraw/zinc/37/14/34/456371434.db2.gz OXFZHNXWRLFABV-CQSZACIVSA-N 1 2 327.453 3.271 20 30 EGEDLO C[N@H+](Cc1cccc(C#N)c1F)[C@H]1CCCN(c2ccccc2)C1=O ZINC000352867440 456375542 /nfs/dbraw/zinc/37/55/42/456375542.db2.gz JRJIZHJRADAWML-SFHVURJKSA-N 1 2 337.398 3.325 20 30 EGEDLO C[N@@H+](Cc1cccc(C#N)c1F)[C@H]1CCCN(c2ccccc2)C1=O ZINC000352867440 456375547 /nfs/dbraw/zinc/37/55/47/456375547.db2.gz JRJIZHJRADAWML-SFHVURJKSA-N 1 2 337.398 3.325 20 30 EGEDLO CCOC1(C)CC[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000298258111 456406064 /nfs/dbraw/zinc/40/60/64/456406064.db2.gz LWHAHVCSADNRCN-UHFFFAOYSA-N 1 2 335.473 3.066 20 30 EGEDLO C=C(C)[C@H](CC(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C)OCC ZINC000298257946 456406980 /nfs/dbraw/zinc/40/69/80/456406980.db2.gz FYRXWWGFFMOKJY-SFHVURJKSA-N 1 2 341.455 3.438 20 30 EGEDLO C=CCCN(C)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000276378140 456461112 /nfs/dbraw/zinc/46/11/12/456461112.db2.gz YNUHRJIUMIQJSV-HZPDHXFCSA-N 1 2 331.460 3.336 20 30 EGEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1Cl)C1CC1 ZINC000298700211 456520103 /nfs/dbraw/zinc/52/01/03/456520103.db2.gz HECZMVJDVOFEHW-FUHWJXTLSA-N 1 2 331.847 3.285 20 30 EGEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H]1c1ccccc1Cl)C1CC1 ZINC000298700211 456520110 /nfs/dbraw/zinc/52/01/10/456520110.db2.gz HECZMVJDVOFEHW-FUHWJXTLSA-N 1 2 331.847 3.285 20 30 EGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCc1ncc(C(C)(C)C)o1)CCC2 ZINC000328736039 456748641 /nfs/dbraw/zinc/74/86/41/456748641.db2.gz ZJABTCQEZISTNP-CYBMUJFWSA-N 1 2 345.447 3.058 20 30 EGEDLO C[N@H+](Cc1ccccc1C#N)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000353569634 456769110 /nfs/dbraw/zinc/76/91/10/456769110.db2.gz OKXQCFPWOXBSFE-GOSISDBHSA-N 1 2 339.826 3.449 20 30 EGEDLO C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000353569634 456769113 /nfs/dbraw/zinc/76/91/13/456769113.db2.gz OKXQCFPWOXBSFE-GOSISDBHSA-N 1 2 339.826 3.449 20 30 EGEDLO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1ccc(F)cc1C#N ZINC000338323135 456771956 /nfs/dbraw/zinc/77/19/56/456771956.db2.gz QKRPUOVPLOVJNZ-UHFFFAOYSA-N 1 2 345.443 3.206 20 30 EGEDLO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1ccc(F)cc1C#N ZINC000338323135 456771961 /nfs/dbraw/zinc/77/19/61/456771961.db2.gz QKRPUOVPLOVJNZ-UHFFFAOYSA-N 1 2 345.443 3.206 20 30 EGEDLO O=C(C[N@H+]1CC=C(C(F)(F)F)CC1)Nc1ccc2c(c1)OCCO2 ZINC000328868834 456781752 /nfs/dbraw/zinc/78/17/52/456781752.db2.gz OZAWBLJTLVDONF-UHFFFAOYSA-N 1 2 342.317 3.240 20 30 EGEDLO O=C(C[N@@H+]1CC=C(C(F)(F)F)CC1)Nc1ccc2c(c1)OCCO2 ZINC000328868834 456781758 /nfs/dbraw/zinc/78/17/58/456781758.db2.gz OZAWBLJTLVDONF-UHFFFAOYSA-N 1 2 342.317 3.240 20 30 EGEDLO COc1ccc(-c2nnc(C[NH2+][C@H](C)c3ccc(C#N)cc3)o2)cc1 ZINC000338352244 456782256 /nfs/dbraw/zinc/78/22/56/456782256.db2.gz IFILYGZDQPQXDH-CYBMUJFWSA-N 1 2 334.379 3.468 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CCCCC1(C)C)C1CCOCC1 ZINC000328999520 456809044 /nfs/dbraw/zinc/80/90/44/456809044.db2.gz HGMQYUBQPISNKS-HZPDHXFCSA-N 1 2 348.491 3.360 20 30 EGEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000338426974 456812227 /nfs/dbraw/zinc/81/22/27/456812227.db2.gz RQXPBYDQZFYHCG-HNNXBMFYSA-N 1 2 349.434 3.070 20 30 EGEDLO Cc1noc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(F)cc3F)C2)n1 ZINC000329013867 456813795 /nfs/dbraw/zinc/81/37/95/456813795.db2.gz FNRILIPSQGKGIG-ONGXEEELSA-N 1 2 336.342 3.122 20 30 EGEDLO Cc1noc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(F)cc3F)C2)n1 ZINC000329013867 456813799 /nfs/dbraw/zinc/81/37/99/456813799.db2.gz FNRILIPSQGKGIG-ONGXEEELSA-N 1 2 336.342 3.122 20 30 EGEDLO C=CC[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccccc1F ZINC000341282585 456831213 /nfs/dbraw/zinc/83/12/13/456831213.db2.gz XBYCMKYHYABWNQ-UHFFFAOYSA-N 1 2 337.398 3.002 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccccc1F ZINC000341282585 456831220 /nfs/dbraw/zinc/83/12/20/456831220.db2.gz XBYCMKYHYABWNQ-UHFFFAOYSA-N 1 2 337.398 3.002 20 30 EGEDLO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329094850 456833469 /nfs/dbraw/zinc/83/34/69/456833469.db2.gz XSINAIHSSLFUJJ-DNVCBOLYSA-N 1 2 332.444 3.107 20 30 EGEDLO CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329094850 456833472 /nfs/dbraw/zinc/83/34/72/456833472.db2.gz XSINAIHSSLFUJJ-DNVCBOLYSA-N 1 2 332.444 3.107 20 30 EGEDLO CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CCO[C@]3(CCCOC3)C2)cc1 ZINC000329100508 456834701 /nfs/dbraw/zinc/83/47/01/456834701.db2.gz ZLYMNCYPDZGFGE-OXJNMPFZSA-N 1 2 346.471 3.148 20 30 EGEDLO CCc1ccc([C@H](C)NC(=O)C[N@H+]2CCO[C@]3(CCCOC3)C2)cc1 ZINC000329100508 456834705 /nfs/dbraw/zinc/83/47/05/456834705.db2.gz ZLYMNCYPDZGFGE-OXJNMPFZSA-N 1 2 346.471 3.148 20 30 EGEDLO C[C@@H]1CCC[C@H](NC(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CC1 ZINC000329161186 456845888 /nfs/dbraw/zinc/84/58/88/456845888.db2.gz FEZHDNRGHAVFTP-PVAVHDDUSA-N 1 2 348.491 3.360 20 30 EGEDLO Cc1ccn2cc(CNC(=O)N3CCCC[C@H]3c3cn[nH]c3)[nH+]c2c1 ZINC000329267223 456864199 /nfs/dbraw/zinc/86/41/99/456864199.db2.gz GAEYHBHXTWNEKF-INIZCTEOSA-N 1 2 338.415 3.007 20 30 EGEDLO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000329294786 456867641 /nfs/dbraw/zinc/86/76/41/456867641.db2.gz SEOVHZIRYRAVJK-IUODEOHRSA-N 1 2 345.434 3.454 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@H](C(C)(C)C)C1)C1CCOCC1 ZINC000329411057 456886574 /nfs/dbraw/zinc/88/65/74/456886574.db2.gz CBFSUGFNJKEXHN-JKSUJKDBSA-N 1 2 348.491 3.170 20 30 EGEDLO CN(Cc1cccc(C#N)c1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000341659124 456887649 /nfs/dbraw/zinc/88/76/49/456887649.db2.gz PFVBYQKXVZTHBG-IBGZPJMESA-N 1 2 344.418 3.462 20 30 EGEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)Nc1cnc2c(c1)CCCC2 ZINC000329437986 456890841 /nfs/dbraw/zinc/89/08/41/456890841.db2.gz JMRDTZWHSCFJBK-UHFFFAOYSA-N 1 2 339.443 3.062 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCc3ccc(Cl)cc3C2)cc1 ZINC000341682789 456897717 /nfs/dbraw/zinc/89/77/17/456897717.db2.gz JICJHNWBNYUSQP-UHFFFAOYSA-N 1 2 325.799 3.208 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCc3ccc(Cl)cc3C2)cc1 ZINC000341682789 456897722 /nfs/dbraw/zinc/89/77/22/456897722.db2.gz JICJHNWBNYUSQP-UHFFFAOYSA-N 1 2 325.799 3.208 20 30 EGEDLO O=C(C[N@@H+]1CCCc2occc2C1)Nc1ccc2c(c1)OCCCO2 ZINC000329668227 456924151 /nfs/dbraw/zinc/92/41/51/456924151.db2.gz RWKCZZUFZLLQCH-UHFFFAOYSA-N 1 2 342.395 3.477 20 30 EGEDLO O=C(C[N@H+]1CCCc2occc2C1)Nc1ccc2c(c1)OCCCO2 ZINC000329668227 456924152 /nfs/dbraw/zinc/92/41/52/456924152.db2.gz RWKCZZUFZLLQCH-UHFFFAOYSA-N 1 2 342.395 3.477 20 30 EGEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)NCC2(C)CCCCC2)CCO1 ZINC000329744049 456934997 /nfs/dbraw/zinc/93/49/97/456934997.db2.gz QLTVIKUEDLWQDE-HOCLYGCPSA-N 1 2 334.464 3.114 20 30 EGEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000329903091 456958420 /nfs/dbraw/zinc/95/84/20/456958420.db2.gz PVPUBZKAXWHGFY-IOASZLSFSA-N 1 2 337.464 3.077 20 30 EGEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000329903091 456958424 /nfs/dbraw/zinc/95/84/24/456958424.db2.gz PVPUBZKAXWHGFY-IOASZLSFSA-N 1 2 337.464 3.077 20 30 EGEDLO Cc1ccc(C[C@H](C)N(C)C([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000329963378 456967081 /nfs/dbraw/zinc/96/70/81/456967081.db2.gz SOPWAUVZBYXMLY-WMZOPIPTSA-N 1 2 340.471 3.231 20 30 EGEDLO [O-]C(=[NH+][C@@H]1CC[C@@H](c2cccc(F)c2)C1)N1CCn2cc[nH+]c2C1 ZINC000330035552 456977763 /nfs/dbraw/zinc/97/77/63/456977763.db2.gz XNFMSHRCKBRTBO-GDBMZVCRSA-N 1 2 328.391 3.088 20 30 EGEDLO CCc1nn(C)c(CC)c1CC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000330067105 456980696 /nfs/dbraw/zinc/98/06/96/456980696.db2.gz UEBZAHZDTJZVOA-AWEZNQCLSA-N 1 2 343.475 3.126 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)C1CC1 ZINC000345568566 456984175 /nfs/dbraw/zinc/98/41/75/456984175.db2.gz CTNBHECEKKZHSO-IAGOWNOFSA-N 1 2 337.427 3.215 20 30 EGEDLO O=C(NCc1cn2c([nH+]1)CCCC2)NC[C@H]1CCC2(CCCCC2)O1 ZINC000330118771 456987261 /nfs/dbraw/zinc/98/72/61/456987261.db2.gz YYXNLZJDWFYIBW-MRXNPFEDSA-N 1 2 346.475 3.105 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330129795 456989362 /nfs/dbraw/zinc/98/93/62/456989362.db2.gz OPHATKKBYKCEPW-BMGDNIKJSA-N 1 2 338.492 3.180 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330129795 456989367 /nfs/dbraw/zinc/98/93/67/456989367.db2.gz OPHATKKBYKCEPW-BMGDNIKJSA-N 1 2 338.492 3.180 20 30 EGEDLO CCc1ccc([C@@H](C#N)NC(=O)c2ccc3[nH+]c(C)n(C)c3c2)cc1 ZINC000345755328 456991516 /nfs/dbraw/zinc/99/15/16/456991516.db2.gz SNTZBBKGUFPINO-GOSISDBHSA-N 1 2 332.407 3.439 20 30 EGEDLO [O-]C(N[C@H]1CCc2cc(Cl)ccc21)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330178395 456996902 /nfs/dbraw/zinc/99/69/02/456996902.db2.gz LPJZAPJIMHLLEF-HIFRSBDPSA-N 1 2 330.819 3.042 20 30 EGEDLO O=C(N[C@H]1CCOC2(CCCCC2)C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330225063 457006009 /nfs/dbraw/zinc/00/60/09/457006009.db2.gz NYTMMEKJKAPFLW-INIZCTEOSA-N 1 2 346.475 3.385 20 30 EGEDLO O=C(NCC1(O)CCC1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000330224217 457006566 /nfs/dbraw/zinc/00/65/66/457006566.db2.gz APWPEGQNYSKLAJ-UHFFFAOYSA-N 1 2 340.427 3.127 20 30 EGEDLO C[C@H](C1CC1)n1cc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000330257003 457013943 /nfs/dbraw/zinc/01/39/43/457013943.db2.gz QKLOUBAZUHJMRU-OCCSQVGLSA-N 1 2 328.420 3.002 20 30 EGEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@H]1CCOC2(CCCCC2)C1 ZINC000330272592 457018372 /nfs/dbraw/zinc/01/83/72/457018372.db2.gz XTYIZHPWWUHSFB-HNNXBMFYSA-N 1 2 346.475 3.105 20 30 EGEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCCCC[C@H]1c1ccncc1 ZINC000330279011 457019831 /nfs/dbraw/zinc/01/98/31/457019831.db2.gz QJWSNKLEOKEYAV-SJORKVTESA-N 1 2 339.443 3.124 20 30 EGEDLO Cc1noc(C(C)C)c1C(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330331006 457029070 /nfs/dbraw/zinc/02/90/70/457029070.db2.gz NSWTVPHLYJSPNZ-OCCSQVGLSA-N 1 2 332.404 3.065 20 30 EGEDLO CC[N@H+](Cc1ccc(F)cc1C#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000346324682 457034266 /nfs/dbraw/zinc/03/42/66/457034266.db2.gz ANCUQPUODOYWMJ-IBGZPJMESA-N 1 2 337.398 3.325 20 30 EGEDLO CC[N@@H+](Cc1ccc(F)cc1C#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000346324682 457034271 /nfs/dbraw/zinc/03/42/71/457034271.db2.gz ANCUQPUODOYWMJ-IBGZPJMESA-N 1 2 337.398 3.325 20 30 EGEDLO CCNc1ccc(C#N)cc1NC(=O)[C@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000354098590 457060618 /nfs/dbraw/zinc/06/06/18/457060618.db2.gz YPKFRHOTBILOKN-ZBFHGGJFSA-N 1 2 349.438 3.096 20 30 EGEDLO CNC(=O)c1cccc(C[N@@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)c1 ZINC000330686003 457070438 /nfs/dbraw/zinc/07/04/38/457070438.db2.gz LZVIEWGUDLBJFK-UHFFFAOYSA-N 1 2 345.487 3.090 20 30 EGEDLO CNC(=O)c1cccc(C[N@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)c1 ZINC000330686003 457070442 /nfs/dbraw/zinc/07/04/42/457070442.db2.gz LZVIEWGUDLBJFK-UHFFFAOYSA-N 1 2 345.487 3.090 20 30 EGEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)Nc1ccc(Br)cc1 ZINC000330829617 457091911 /nfs/dbraw/zinc/09/19/11/457091911.db2.gz JJVVKDMQWSHISW-MISXGVKJSA-N 1 2 336.233 3.058 20 30 EGEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(C)[nH+]c1C ZINC000349894053 457097082 /nfs/dbraw/zinc/09/70/82/457097082.db2.gz MVGATRATPUVHGD-UHFFFAOYSA-N 1 2 329.400 3.394 20 30 EGEDLO COc1cc[nH+]cc1NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000346706138 457123468 /nfs/dbraw/zinc/12/34/68/457123468.db2.gz OGCBXQZPCMRJED-KRWDZBQOSA-N 1 2 325.368 3.004 20 30 EGEDLO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2COc3cc(F)cc(F)c32)cc1 ZINC000359864451 457135491 /nfs/dbraw/zinc/13/54/91/457135491.db2.gz CKESINCIXSUYBH-BZNIZROVSA-N 1 2 330.334 3.479 20 30 EGEDLO CC(C)C(CNC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1)C(C)C ZINC000331303932 457163436 /nfs/dbraw/zinc/16/34/36/457163436.db2.gz DANUTOSRFCQICS-PBHICJAKSA-N 1 2 336.480 3.072 20 30 EGEDLO CC1CCN(c2ccc(CNC(=O)c3ccc(C#N)s3)c[nH+]2)CC1 ZINC000362940435 457165753 /nfs/dbraw/zinc/16/57/53/457165753.db2.gz JCXPXOLGWGAVPB-UHFFFAOYSA-N 1 2 340.452 3.181 20 30 EGEDLO Cn1ccnc1[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000359978106 457182800 /nfs/dbraw/zinc/18/28/00/457182800.db2.gz VZMGWYNRIFWLFJ-KRWDZBQOSA-N 1 2 339.830 3.163 20 30 EGEDLO C[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(C#N)c1 ZINC000360038193 457217915 /nfs/dbraw/zinc/21/79/15/457217915.db2.gz PMWPAAVAQVRODU-CQSZACIVSA-N 1 2 348.381 3.303 20 30 EGEDLO C=CCC[C@@H](O)C[N@@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000342300008 457223003 /nfs/dbraw/zinc/22/30/03/457223003.db2.gz LWMDCJJGHKWFHB-CYBMUJFWSA-N 1 2 328.225 3.273 20 30 EGEDLO C=CCC[C@@H](O)C[N@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000342300008 457223009 /nfs/dbraw/zinc/22/30/09/457223009.db2.gz LWMDCJJGHKWFHB-CYBMUJFWSA-N 1 2 328.225 3.273 20 30 EGEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000339755386 457250078 /nfs/dbraw/zinc/25/00/78/457250078.db2.gz GXFCXRGNSWDMNX-ZDUSSCGKSA-N 1 2 343.452 3.101 20 30 EGEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000339755386 457250082 /nfs/dbraw/zinc/25/00/82/457250082.db2.gz GXFCXRGNSWDMNX-ZDUSSCGKSA-N 1 2 343.452 3.101 20 30 EGEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000347253552 457312604 /nfs/dbraw/zinc/31/26/04/457312604.db2.gz JATGSLISLHDPCJ-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352458932 457384805 /nfs/dbraw/zinc/38/48/05/457384805.db2.gz QVQGWLSVANYMAF-UHFFFAOYSA-N 1 2 331.435 3.061 20 30 EGEDLO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352458312 457385160 /nfs/dbraw/zinc/38/51/60/457385160.db2.gz JAUWRNBQOUKATL-CQSZACIVSA-N 1 2 343.402 3.280 20 30 EGEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000378333683 457388929 /nfs/dbraw/zinc/38/89/29/457388929.db2.gz OAOBUNTVOWSSCY-GOSISDBHSA-N 1 2 338.455 3.401 20 30 EGEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000378333683 457388938 /nfs/dbraw/zinc/38/89/38/457388938.db2.gz OAOBUNTVOWSSCY-GOSISDBHSA-N 1 2 338.455 3.401 20 30 EGEDLO CCOc1ccc(C[NH+]2CCN(Cc3ccc(CC#N)cc3)CC2)cc1 ZINC000342698579 457462556 /nfs/dbraw/zinc/46/25/56/457462556.db2.gz UWJQOSNGZHEDBW-UHFFFAOYSA-N 1 2 349.478 3.469 20 30 EGEDLO Cc1cc(NCc2cccc(NC(=O)C3CCCC3)c2)c(C#N)c[nH+]1 ZINC000425216348 457463864 /nfs/dbraw/zinc/46/38/64/457463864.db2.gz QRDYQMDFOMFYQK-UHFFFAOYSA-N 1 2 334.423 3.424 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000397574057 457488892 /nfs/dbraw/zinc/48/88/92/457488892.db2.gz FPWNCWVPFUTAJA-LLVKDONJSA-N 1 2 338.205 3.483 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000397574057 457488896 /nfs/dbraw/zinc/48/88/96/457488896.db2.gz FPWNCWVPFUTAJA-LLVKDONJSA-N 1 2 338.205 3.483 20 30 EGEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000374132222 457489832 /nfs/dbraw/zinc/48/98/32/457489832.db2.gz PZTYBMUPEKKGRT-INIZCTEOSA-N 1 2 341.436 3.022 20 30 EGEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000374132222 457489837 /nfs/dbraw/zinc/48/98/37/457489837.db2.gz PZTYBMUPEKKGRT-INIZCTEOSA-N 1 2 341.436 3.022 20 30 EGEDLO CCC(CC)CN(CCC#N)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000352638490 457496698 /nfs/dbraw/zinc/49/66/98/457496698.db2.gz UYCHZWHICLQTEN-SJLPKXTDSA-N 1 2 342.487 3.332 20 30 EGEDLO C=C(C)[C@@H](NC(=O)NCCNc1cccc[nH+]1)c1ccc(F)c(F)c1 ZINC000357706967 457664275 /nfs/dbraw/zinc/66/42/75/457664275.db2.gz JIWBVKBLUPPCPS-QGZVFWFLSA-N 1 2 346.381 3.388 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364898297 457714930 /nfs/dbraw/zinc/71/49/30/457714930.db2.gz VOBFRNYYQBRDQP-UONOGXRCSA-N 1 2 340.452 3.478 20 30 EGEDLO N#Cc1ccc(SCC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000365123480 457727725 /nfs/dbraw/zinc/72/77/25/457727725.db2.gz ZWBSIOPQCWLMCA-OAHLLOKOSA-N 1 2 326.425 3.127 20 30 EGEDLO C=CCOc1ccccc1C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000370954158 457743419 /nfs/dbraw/zinc/74/34/19/457743419.db2.gz RBFSDXPPYFKTJT-OAHLLOKOSA-N 1 2 325.412 3.064 20 30 EGEDLO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433293986 457800593 /nfs/dbraw/zinc/80/05/93/457800593.db2.gz JGJNTYUIKJKTBP-CQSZACIVSA-N 1 2 327.428 3.434 20 30 EGEDLO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433293986 457800597 /nfs/dbraw/zinc/80/05/97/457800597.db2.gz JGJNTYUIKJKTBP-CQSZACIVSA-N 1 2 327.428 3.434 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ccc(C(C)(C)C#N)cc1)CCC2 ZINC000366364867 457808472 /nfs/dbraw/zinc/80/84/72/457808472.db2.gz ALJCPFOAOHIUOJ-INIZCTEOSA-N 1 2 336.439 3.300 20 30 EGEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000411190169 457825741 /nfs/dbraw/zinc/82/57/41/457825741.db2.gz UILFUBSSDGSNJG-HNNXBMFYSA-N 1 2 344.434 3.191 20 30 EGEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000411190169 457825748 /nfs/dbraw/zinc/82/57/48/457825748.db2.gz UILFUBSSDGSNJG-HNNXBMFYSA-N 1 2 344.434 3.191 20 30 EGEDLO Cc1cnc(N2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)s1 ZINC000427024010 457936804 /nfs/dbraw/zinc/93/68/04/457936804.db2.gz QQDYEAJONCUGNO-UHFFFAOYSA-N 1 2 331.872 3.279 20 30 EGEDLO COc1ccc(F)c(N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)c1 ZINC000361925577 457959512 /nfs/dbraw/zinc/95/95/12/457959512.db2.gz ILXFEXOYRSJZKF-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO C=CC[C@H]1N(C(=O)NCc2ccc(N(C)C)[nH+]c2)CCCC1(C)C ZINC000444843518 457987959 /nfs/dbraw/zinc/98/79/59/457987959.db2.gz CDBLJTAGNORUJZ-MRXNPFEDSA-N 1 2 330.476 3.424 20 30 EGEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)cc1Cl ZINC000361995131 457997065 /nfs/dbraw/zinc/99/70/65/457997065.db2.gz CPBOVIHESVLPTM-JTQLQIEISA-N 1 2 345.668 3.225 20 30 EGEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)cc1Cl ZINC000361995131 457997068 /nfs/dbraw/zinc/99/70/68/457997068.db2.gz CPBOVIHESVLPTM-JTQLQIEISA-N 1 2 345.668 3.225 20 30 EGEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000362050013 458026109 /nfs/dbraw/zinc/02/61/09/458026109.db2.gz KJEPWMWSDHOFAR-KRWDZBQOSA-N 1 2 344.455 3.452 20 30 EGEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000362050013 458026116 /nfs/dbraw/zinc/02/61/16/458026116.db2.gz KJEPWMWSDHOFAR-KRWDZBQOSA-N 1 2 344.455 3.452 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000362129586 458033074 /nfs/dbraw/zinc/03/30/74/458033074.db2.gz LKVJWTOSHIYZBX-CQSZACIVSA-N 1 2 337.427 3.243 20 30 EGEDLO C=C(C)[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(F)c(F)c1 ZINC000358651520 458128833 /nfs/dbraw/zinc/12/88/33/458128833.db2.gz NDRFNUNWXMALNY-SUMWQHHRSA-N 1 2 331.366 3.157 20 30 EGEDLO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1 ZINC000428393498 458133911 /nfs/dbraw/zinc/13/39/11/458133911.db2.gz YFCMWFUQMWJEKO-UGSOOPFHSA-N 1 2 326.371 3.337 20 30 EGEDLO CCc1nc([C@H]2CCCC[N@@H+]2CCOc2cccc(C#N)c2)no1 ZINC000369271330 458151086 /nfs/dbraw/zinc/15/10/86/458151086.db2.gz QFEDULOEPDIQRQ-MRXNPFEDSA-N 1 2 326.400 3.110 20 30 EGEDLO CCc1nc([C@H]2CCCC[N@H+]2CCOc2cccc(C#N)c2)no1 ZINC000369271330 458151092 /nfs/dbraw/zinc/15/10/92/458151092.db2.gz QFEDULOEPDIQRQ-MRXNPFEDSA-N 1 2 326.400 3.110 20 30 EGEDLO C=CCSc1ccccc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000362405960 458158059 /nfs/dbraw/zinc/15/80/59/458158059.db2.gz YFTYPCRVRLVMCM-OAHLLOKOSA-N 1 2 339.464 3.368 20 30 EGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000412327112 458169474 /nfs/dbraw/zinc/16/94/74/458169474.db2.gz AWDWWYWDWRZXRX-VQIMIIECSA-N 1 2 339.439 3.277 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cc(C#N)ccc1Cl)CCC2 ZINC000376072368 458186003 /nfs/dbraw/zinc/18/60/03/458186003.db2.gz ZWHDQZINJQYJBH-ZDUSSCGKSA-N 1 2 328.803 3.024 20 30 EGEDLO C=CCN(CC(F)(F)F)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372454278 458303795 /nfs/dbraw/zinc/30/37/95/458303795.db2.gz MOQVBBSINODRKU-LLVKDONJSA-N 1 2 329.366 3.215 20 30 EGEDLO C=CCN(CC(F)(F)F)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372454278 458303796 /nfs/dbraw/zinc/30/37/96/458303796.db2.gz MOQVBBSINODRKU-LLVKDONJSA-N 1 2 329.366 3.215 20 30 EGEDLO CC(C)c1nc2ccccc2c(SC[C@@H](O)C[N@H+](C)CCC#N)n1 ZINC000414121488 458315026 /nfs/dbraw/zinc/31/50/26/458315026.db2.gz HBLFKQJLUMALKX-AWEZNQCLSA-N 1 2 344.484 3.052 20 30 EGEDLO CC(C)c1nc2ccccc2c(SC[C@@H](O)C[N@@H+](C)CCC#N)n1 ZINC000414121488 458315035 /nfs/dbraw/zinc/31/50/35/458315035.db2.gz HBLFKQJLUMALKX-AWEZNQCLSA-N 1 2 344.484 3.052 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000447855372 458356708 /nfs/dbraw/zinc/35/67/08/458356708.db2.gz QYHNWSWXRQLWEE-GOSISDBHSA-N 1 2 343.471 3.452 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000447855372 458356712 /nfs/dbraw/zinc/35/67/12/458356712.db2.gz QYHNWSWXRQLWEE-GOSISDBHSA-N 1 2 343.471 3.452 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420949311 458404751 /nfs/dbraw/zinc/40/47/51/458404751.db2.gz ORHCYKNMTRTHCM-ZFWWWQNUSA-N 1 2 340.345 3.437 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420949311 458404755 /nfs/dbraw/zinc/40/47/55/458404755.db2.gz ORHCYKNMTRTHCM-ZFWWWQNUSA-N 1 2 340.345 3.437 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCCC1 ZINC000449078447 458419581 /nfs/dbraw/zinc/41/95/81/458419581.db2.gz XNKHZJZEYPXDOY-LJQANCHMSA-N 1 2 342.483 3.140 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCC1 ZINC000449078447 458419586 /nfs/dbraw/zinc/41/95/86/458419586.db2.gz XNKHZJZEYPXDOY-LJQANCHMSA-N 1 2 342.483 3.140 20 30 EGEDLO C=CCC[C@H]([NH2+]Cc1cn(C)nc1-c1cccs1)C(=O)OCC ZINC000449653330 458427934 /nfs/dbraw/zinc/42/79/34/458427934.db2.gz BZKZUTUXKBHRJX-AWEZNQCLSA-N 1 2 333.457 3.136 20 30 EGEDLO C=CCC[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(C)cc1)C(=O)OCC ZINC000449661469 458428998 /nfs/dbraw/zinc/42/89/98/458428998.db2.gz ZZEHTIPQQVWVTD-KRWDZBQOSA-N 1 2 327.428 3.373 20 30 EGEDLO C=CCC[C@@H]([NH2+]Cc1ccc(-c2cnn(C)c2)s1)C(=O)OCC ZINC000449654869 458429002 /nfs/dbraw/zinc/42/90/02/458429002.db2.gz FSHSAPFIRZZNRQ-OAHLLOKOSA-N 1 2 333.457 3.136 20 30 EGEDLO C=CCN1CC[C@@H](N(C)c2cc[nH+]c3cc(F)c(Cl)cc32)C1=O ZINC000450498171 458450248 /nfs/dbraw/zinc/45/02/48/458450248.db2.gz HSCNEXUJUJNNJJ-MRXNPFEDSA-N 1 2 333.794 3.250 20 30 EGEDLO C=CC[N@H+](CC1CCC(=O)CC1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000450809944 458457761 /nfs/dbraw/zinc/45/77/61/458457761.db2.gz LJRGGBQBONHNAK-FQEVSTJZSA-N 1 2 343.467 3.408 20 30 EGEDLO C=CC[N@@H+](CC1CCC(=O)CC1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000450809944 458457767 /nfs/dbraw/zinc/45/77/67/458457767.db2.gz LJRGGBQBONHNAK-FQEVSTJZSA-N 1 2 343.467 3.408 20 30 EGEDLO N#CCc1ccc(NC(=O)C2CC[NH+](CC(F)F)CC2)c(Cl)c1 ZINC000452652818 458505220 /nfs/dbraw/zinc/50/52/20/458505220.db2.gz NRPILONUVYMUDS-UHFFFAOYSA-N 1 2 341.789 3.322 20 30 EGEDLO C#CC[N@H+](Cc1nc(-c2ccccn2)no1)[C@@H]1CCc2ccccc21 ZINC000377685636 458509906 /nfs/dbraw/zinc/50/99/06/458509906.db2.gz ACHIIDWAFZVNTP-GOSISDBHSA-N 1 2 330.391 3.254 20 30 EGEDLO C#CC[N@@H+](Cc1nc(-c2ccccn2)no1)[C@@H]1CCc2ccccc21 ZINC000377685636 458509912 /nfs/dbraw/zinc/50/99/12/458509912.db2.gz ACHIIDWAFZVNTP-GOSISDBHSA-N 1 2 330.391 3.254 20 30 EGEDLO C=CC(C)(C)CNC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000454311926 458557999 /nfs/dbraw/zinc/55/79/99/458557999.db2.gz FUZHXHBJDOUJBK-UHFFFAOYSA-N 1 2 330.476 3.329 20 30 EGEDLO N#CCc1cccc(NC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000455922401 458622553 /nfs/dbraw/zinc/62/25/53/458622553.db2.gz QNICEZJAAYBSPH-UHFFFAOYSA-N 1 2 349.438 3.460 20 30 EGEDLO Cc1cc(C#N)cc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000456015229 458628121 /nfs/dbraw/zinc/62/81/21/458628121.db2.gz YSNRWGGAXZJMIE-HNNXBMFYSA-N 1 2 337.427 3.087 20 30 EGEDLO C[C@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H](C2CC2)O1 ZINC000470918825 458664430 /nfs/dbraw/zinc/66/44/30/458664430.db2.gz KOKUDRCGXXBXQR-SUMWQHHRSA-N 1 2 339.357 3.436 20 30 EGEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H](C2CC2)O1 ZINC000470918825 458664435 /nfs/dbraw/zinc/66/44/35/458664435.db2.gz KOKUDRCGXXBXQR-SUMWQHHRSA-N 1 2 339.357 3.436 20 30 EGEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000439961538 458769450 /nfs/dbraw/zinc/76/94/50/458769450.db2.gz NRDOCENEXIYNAR-SFHVURJKSA-N 1 2 336.439 3.002 20 30 EGEDLO C[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000515547758 458810525 /nfs/dbraw/zinc/81/05/25/458810525.db2.gz SJWUXCWTPHXHJI-CQSZACIVSA-N 1 2 342.393 3.110 20 30 EGEDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000515547758 458810531 /nfs/dbraw/zinc/81/05/31/458810531.db2.gz SJWUXCWTPHXHJI-CQSZACIVSA-N 1 2 342.393 3.110 20 30 EGEDLO COc1c(C)c[nH+]c(CN(C)c2cccc(-n3cccn3)c2C#N)c1C ZINC000518563273 458878659 /nfs/dbraw/zinc/87/86/59/458878659.db2.gz WVELMWXYXZPOCU-UHFFFAOYSA-N 1 2 347.422 3.401 20 30 EGEDLO C=CCOCC[N@@H+]1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000549717958 458883576 /nfs/dbraw/zinc/88/35/76/458883576.db2.gz MFSSQWKLODLNBA-OAHLLOKOSA-N 1 2 331.334 3.161 20 30 EGEDLO C=CCOCC[N@H+]1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000549717958 458883581 /nfs/dbraw/zinc/88/35/81/458883581.db2.gz MFSSQWKLODLNBA-OAHLLOKOSA-N 1 2 331.334 3.161 20 30 EGEDLO C=C(C)COc1cc(C[N@@H+](C)C(C)(C)C(=O)OCC)ccc1OC ZINC000552051144 458890474 /nfs/dbraw/zinc/89/04/74/458890474.db2.gz KIQBDWRQPOBZFL-UHFFFAOYSA-N 1 2 335.444 3.424 20 30 EGEDLO C=C(C)COc1cc(C[N@H+](C)C(C)(C)C(=O)OCC)ccc1OC ZINC000552051144 458890476 /nfs/dbraw/zinc/89/04/76/458890476.db2.gz KIQBDWRQPOBZFL-UHFFFAOYSA-N 1 2 335.444 3.424 20 30 EGEDLO C=CC[C@@H](CC)NC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000466390248 458896785 /nfs/dbraw/zinc/89/67/85/458896785.db2.gz HIKRSCDYVIJHSO-SJLPKXTDSA-N 1 2 345.487 3.438 20 30 EGEDLO N#CC1(CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCC1 ZINC000519589738 458970247 /nfs/dbraw/zinc/97/02/47/458970247.db2.gz BGWHYLJCXAMUHI-UHFFFAOYSA-N 1 2 347.422 3.417 20 30 EGEDLO Cc1cccc(C)c1OCCNC(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000531905982 458997914 /nfs/dbraw/zinc/99/79/14/458997914.db2.gz DUTFHKGBPOLWGQ-UHFFFAOYSA-N 1 2 345.487 3.060 20 30 EGEDLO Cc1cccc(C)c1OCCNC(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000531905982 458997919 /nfs/dbraw/zinc/99/79/19/458997919.db2.gz DUTFHKGBPOLWGQ-UHFFFAOYSA-N 1 2 345.487 3.060 20 30 EGEDLO Cc1ccc(OC(F)F)c(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)c1 ZINC000589988412 459062007 /nfs/dbraw/zinc/06/20/07/459062007.db2.gz COFSTGDBXSQSPP-MRXNPFEDSA-N 1 2 337.414 3.262 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C1 ZINC000594660886 459123395 /nfs/dbraw/zinc/12/33/95/459123395.db2.gz SGPXMNHXDLHJTA-HNAYVOBHSA-N 1 2 347.418 3.097 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C1 ZINC000594660886 459123400 /nfs/dbraw/zinc/12/34/00/459123400.db2.gz SGPXMNHXDLHJTA-HNAYVOBHSA-N 1 2 347.418 3.097 20 30 EGEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000521267066 459136795 /nfs/dbraw/zinc/13/67/95/459136795.db2.gz LHJVFSMUFSBEKP-IAGOWNOFSA-N 1 2 326.444 3.221 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccn2)c(C#N)c1C ZINC000533026099 459177216 /nfs/dbraw/zinc/17/72/16/459177216.db2.gz QIGXBTFLLJKXKA-MRXNPFEDSA-N 1 2 340.452 3.407 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccn2)c(C#N)c1C ZINC000533026099 459177221 /nfs/dbraw/zinc/17/72/21/459177221.db2.gz QIGXBTFLLJKXKA-MRXNPFEDSA-N 1 2 340.452 3.407 20 30 EGEDLO C=C(C)COc1cc(C[N@H+]2CC[C@H](C)C[C@H]2C(=O)OC)ccc1OC ZINC000482489182 459311004 /nfs/dbraw/zinc/31/10/04/459311004.db2.gz SWLRETSPFOINON-RDJZCZTQSA-N 1 2 347.455 3.424 20 30 EGEDLO C=C(C)COc1cc(C[N@@H+]2CC[C@H](C)C[C@H]2C(=O)OC)ccc1OC ZINC000482489182 459311011 /nfs/dbraw/zinc/31/10/11/459311011.db2.gz SWLRETSPFOINON-RDJZCZTQSA-N 1 2 347.455 3.424 20 30 EGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1ncc2c(c1C#N)CCC2 ZINC000568619971 459317946 /nfs/dbraw/zinc/31/79/46/459317946.db2.gz AZHOIZKUJKZUHZ-UHFFFAOYSA-N 1 2 343.434 3.323 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cnc(N2CCCC2)nc1 ZINC000536670724 459361423 /nfs/dbraw/zinc/36/14/23/459361423.db2.gz ZCOYEDLQYXXXDP-PMACEKPBSA-N 1 2 347.466 3.349 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cnc(N2CCCC2)nc1 ZINC000536670724 459361426 /nfs/dbraw/zinc/36/14/26/459361426.db2.gz ZCOYEDLQYXXXDP-PMACEKPBSA-N 1 2 347.466 3.349 20 30 EGEDLO C=CCCC[C@H](C)NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000538372568 459370620 /nfs/dbraw/zinc/37/06/20/459370620.db2.gz GAUWVDDZTXFYSM-INIZCTEOSA-N 1 2 333.451 3.398 20 30 EGEDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000539614119 459376620 /nfs/dbraw/zinc/37/66/20/459376620.db2.gz OCQLVAKKBFEJGY-UHFFFAOYSA-N 1 2 330.859 3.024 20 30 EGEDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000539614119 459376629 /nfs/dbraw/zinc/37/66/29/459376629.db2.gz OCQLVAKKBFEJGY-UHFFFAOYSA-N 1 2 330.859 3.024 20 30 EGEDLO CC(C)c1ccc2c(c1)C[N@H+]([C@@H](C(N)=O)c1ccc(C#N)cc1)CC2 ZINC000595658773 459386426 /nfs/dbraw/zinc/38/64/26/459386426.db2.gz VCAYXNGVXZXYHU-HXUWFJFHSA-N 1 2 333.435 3.266 20 30 EGEDLO CC(C)c1ccc2c(c1)C[N@@H+]([C@@H](C(N)=O)c1ccc(C#N)cc1)CC2 ZINC000595658773 459386430 /nfs/dbraw/zinc/38/64/30/459386430.db2.gz VCAYXNGVXZXYHU-HXUWFJFHSA-N 1 2 333.435 3.266 20 30 EGEDLO Cc1nc(N[C@H](C)c2cccc(C#N)c2)c(Br)c(C)[nH+]1 ZINC000596144613 459536009 /nfs/dbraw/zinc/53/60/09/459536009.db2.gz LZEZLERXZTYEKS-SECBINFHSA-N 1 2 331.217 3.323 20 30 EGEDLO Cc1ccc2ncc(C#N)c(NCc3cc[nH+]c(N4CCCC4)c3)c2c1 ZINC000487944322 459536088 /nfs/dbraw/zinc/53/60/88/459536088.db2.gz LMVFNTADPPKBCY-UHFFFAOYSA-N 1 2 343.434 3.444 20 30 EGEDLO C[C@H]1COC(C)(C)C[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000488198405 459540744 /nfs/dbraw/zinc/54/07/44/459540744.db2.gz VHCKUFSIABUKMD-ZDUSSCGKSA-N 1 2 327.346 3.436 20 30 EGEDLO C[C@H]1COC(C)(C)C[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000488198405 459540745 /nfs/dbraw/zinc/54/07/45/459540745.db2.gz VHCKUFSIABUKMD-ZDUSSCGKSA-N 1 2 327.346 3.436 20 30 EGEDLO C=C[C@H]1CCCCN1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000488359568 459543485 /nfs/dbraw/zinc/54/34/85/459543485.db2.gz AUAUHHSXOCCNPU-KRWDZBQOSA-N 1 2 329.444 3.091 20 30 EGEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1nnc(-c2sccc2C)o1 ZINC000489485809 459565612 /nfs/dbraw/zinc/56/56/12/459565612.db2.gz RCFUBHICULMMBY-LBPRGKRZSA-N 1 2 332.429 3.086 20 30 EGEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1nnc(-c2sccc2C)o1 ZINC000489485809 459565620 /nfs/dbraw/zinc/56/56/20/459565620.db2.gz RCFUBHICULMMBY-LBPRGKRZSA-N 1 2 332.429 3.086 20 30 EGEDLO N#CC1(CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000571273923 459566356 /nfs/dbraw/zinc/56/63/56/459566356.db2.gz GVYFDFKWPAWKMH-UHFFFAOYSA-N 1 2 333.395 3.027 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000489852053 459571702 /nfs/dbraw/zinc/57/17/02/459571702.db2.gz ZGBGZICDTPYLPT-HKUYNNGSSA-N 1 2 338.382 3.401 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000489852053 459571708 /nfs/dbraw/zinc/57/17/08/459571708.db2.gz ZGBGZICDTPYLPT-HKUYNNGSSA-N 1 2 338.382 3.401 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000572732804 459583397 /nfs/dbraw/zinc/58/33/97/459583397.db2.gz PUUSQQUQPWWZOI-CMPLNLGQSA-N 1 2 328.243 3.452 20 30 EGEDLO COc1ccc2c(c1)C[C@H](C)[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@H]2C ZINC000542881058 459607231 /nfs/dbraw/zinc/60/72/31/459607231.db2.gz LLXNJIMJXJZUDD-AUSJPIAWSA-N 1 2 343.471 3.057 20 30 EGEDLO COc1ccc2c(c1)C[C@H](C)[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@H]2C ZINC000542881058 459607233 /nfs/dbraw/zinc/60/72/33/459607233.db2.gz LLXNJIMJXJZUDD-AUSJPIAWSA-N 1 2 343.471 3.057 20 30 EGEDLO C#C[C@H](NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1)c1ccc(Cl)cc1 ZINC000491654696 459646930 /nfs/dbraw/zinc/64/69/30/459646930.db2.gz GKDVAFCNZZSECA-HOTGVXAUSA-N 1 2 342.830 3.198 20 30 EGEDLO C#CCn1ccc(CN(CCOC)c2[nH+]ccc3c(C)cccc32)n1 ZINC000491706819 459657902 /nfs/dbraw/zinc/65/79/02/459657902.db2.gz XECRCFVLESFDRU-UHFFFAOYSA-N 1 2 334.423 3.026 20 30 EGEDLO C#C[C@H](NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)c1ccc(Cl)cc1F ZINC000491821019 459681086 /nfs/dbraw/zinc/68/10/86/459681086.db2.gz ZFPWHKQRLYDNMZ-WKPIXPDZSA-N 1 2 346.793 3.355 20 30 EGEDLO C#C[C@H](NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21)c1ccc(Cl)cc1F ZINC000491820936 459681326 /nfs/dbraw/zinc/68/13/26/459681326.db2.gz ZFPWHKQRLYDNMZ-LKTVYLICSA-N 1 2 346.793 3.355 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc2ccccc2cc1OC(F)F ZINC000584414519 459732699 /nfs/dbraw/zinc/73/26/99/459732699.db2.gz WRQSAIFLNBBIQY-GOSISDBHSA-N 1 2 347.365 3.015 20 30 EGEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000564098317 459771036 /nfs/dbraw/zinc/77/10/36/459771036.db2.gz LYLKNYSGEKPCTO-RYUDHWBXSA-N 1 2 338.249 3.366 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1coc2ccc3ccccc3c12 ZINC000574162396 459787215 /nfs/dbraw/zinc/78/72/15/459787215.db2.gz HUKZQVIKJWLLJM-FQEVSTJZSA-N 1 2 335.407 3.089 20 30 EGEDLO C[C@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000584784928 459802575 /nfs/dbraw/zinc/80/25/75/459802575.db2.gz YHFZDAXFIJLANI-WBMJQRKESA-N 1 2 341.377 3.159 20 30 EGEDLO N#Cc1c2c(cnc1NCc1ccc(N3CCCCCC3)[nH+]c1)CCC2 ZINC000566135967 459812576 /nfs/dbraw/zinc/81/25/76/459812576.db2.gz WRHQNNUXPIHOQI-UHFFFAOYSA-N 1 2 347.466 3.251 20 30 EGEDLO N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000593333634 459850253 /nfs/dbraw/zinc/85/02/53/459850253.db2.gz WZQLBEBEYPLCIW-UHFFFAOYSA-N 1 2 349.434 3.011 20 30 EGEDLO N#Cc1sccc1N1CC[NH+](Cc2cccc(O)c2Cl)CC1 ZINC000597183554 459866218 /nfs/dbraw/zinc/86/62/18/459866218.db2.gz KRULGOMNDOBMLA-UHFFFAOYSA-N 1 2 333.844 3.301 20 30 EGEDLO N#Cc1cnc(N2CC[NH+](C/C=C\c3ccccc3)CC2)c(Cl)c1 ZINC000608884909 459893353 /nfs/dbraw/zinc/89/33/53/459893353.db2.gz NAZYZURLLCRTLD-DAXSKMNVSA-N 1 2 338.842 3.442 20 30 EGEDLO N#Cc1cc(Br)ccc1CN1CCC[C@H](n2cc[nH+]c2)C1 ZINC000588200526 459931652 /nfs/dbraw/zinc/93/16/52/459931652.db2.gz JXTADLBJUABLDX-INIZCTEOSA-N 1 2 345.244 3.354 20 30 EGEDLO C=CC[N@@H+](Cc1cnc(CCOC)s1)Cc1cccc(C#N)c1 ZINC000602452550 459945069 /nfs/dbraw/zinc/94/50/69/459945069.db2.gz CYSBBNAGRGTRHB-UHFFFAOYSA-N 1 2 327.453 3.392 20 30 EGEDLO C=CC[N@H+](Cc1cnc(CCOC)s1)Cc1cccc(C#N)c1 ZINC000602452550 459945077 /nfs/dbraw/zinc/94/50/77/459945077.db2.gz CYSBBNAGRGTRHB-UHFFFAOYSA-N 1 2 327.453 3.392 20 30 EGEDLO Cc1ccnc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)c1 ZINC000618326959 459966414 /nfs/dbraw/zinc/96/64/14/459966414.db2.gz CUVQXISWDKCYHW-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO COC(=O)c1cc(C[N@H+](CCC#N)CC(C)(C)C)n2c1CCCC2 ZINC000598671621 459986817 /nfs/dbraw/zinc/98/68/17/459986817.db2.gz XGOWVDOIOIDSEB-UHFFFAOYSA-N 1 2 331.460 3.373 20 30 EGEDLO COC(=O)c1cc(C[N@@H+](CCC#N)CC(C)(C)C)n2c1CCCC2 ZINC000598671621 459986820 /nfs/dbraw/zinc/98/68/20/459986820.db2.gz XGOWVDOIOIDSEB-UHFFFAOYSA-N 1 2 331.460 3.373 20 30 EGEDLO CC1(C)C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C(C)(C)CO1 ZINC000609671677 460005785 /nfs/dbraw/zinc/00/57/85/460005785.db2.gz IMQXKYMSNLPLIR-UHFFFAOYSA-N 1 2 335.835 3.040 20 30 EGEDLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C(C)(C)CO1 ZINC000609671677 460005795 /nfs/dbraw/zinc/00/57/95/460005795.db2.gz IMQXKYMSNLPLIR-UHFFFAOYSA-N 1 2 335.835 3.040 20 30 EGEDLO COC(=O)[C@@H]([NH2+]C[C@H](C)CCC#N)c1ccc(Br)cc1 ZINC000602624798 460030491 /nfs/dbraw/zinc/03/04/91/460030491.db2.gz RUTZZGFUNNLZDA-RISCZKNCSA-N 1 2 339.233 3.193 20 30 EGEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000594010795 460054357 /nfs/dbraw/zinc/05/43/57/460054357.db2.gz NVKWJXUSQYNTDF-NEPJUHHUSA-N 1 2 338.249 3.366 20 30 EGEDLO Cc1ccn2cc(CNC(=O)N[C@H](C)c3cccc(C#N)c3)[nH+]c2c1 ZINC000610354046 460132407 /nfs/dbraw/zinc/13/24/07/460132407.db2.gz MTSHLXOUKMRNKG-CQSZACIVSA-N 1 2 333.395 3.075 20 30 EGEDLO Cc1cc(N2CCC(Oc3cncc(Cl)c3)CC2)c(C#N)c[nH+]1 ZINC000599107154 460162968 /nfs/dbraw/zinc/16/29/68/460162968.db2.gz KGEQYLLPEXHWJM-UHFFFAOYSA-N 1 2 328.803 3.358 20 30 EGEDLO COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH2+][C@@H](C)CC#N)ccc2c1 ZINC000602861144 460163050 /nfs/dbraw/zinc/16/30/50/460163050.db2.gz GBVRJMFDFMPUJG-GJZGRUSLSA-N 1 2 339.439 3.087 20 30 EGEDLO COc1ccc([C@@H]2CCCCCN2C(=O)C[NH2+][C@H](C)CC#N)cc1 ZINC000602868925 460165834 /nfs/dbraw/zinc/16/58/34/460165834.db2.gz KZNQJTABBWBISF-QAPCUYQASA-N 1 2 329.444 3.031 20 30 EGEDLO CO[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC000602898920 460176683 /nfs/dbraw/zinc/17/66/83/460176683.db2.gz NKSDCSJERWOXJY-FQEVSTJZSA-N 1 2 336.435 3.191 20 30 EGEDLO CO[C@@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC000602898920 460176687 /nfs/dbraw/zinc/17/66/87/460176687.db2.gz NKSDCSJERWOXJY-FQEVSTJZSA-N 1 2 336.435 3.191 20 30 EGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000603077605 460238267 /nfs/dbraw/zinc/23/82/67/460238267.db2.gz WFEBLNLIOSEUCT-UHFFFAOYSA-N 1 2 343.406 3.400 20 30 EGEDLO Cc1cccn2cc(CCNc3nc4c(cc3C#N)CCCC4)[nH+]c12 ZINC000611227754 460311951 /nfs/dbraw/zinc/31/19/51/460311951.db2.gz ZXNWOZFBQYRRLZ-UHFFFAOYSA-N 1 2 331.423 3.443 20 30 EGEDLO N#C[C@H]1C[N@H+](C[C@H]2CCOc3ccccc32)CCN1Cc1ccccc1 ZINC000611249333 460316159 /nfs/dbraw/zinc/31/61/59/460316159.db2.gz GNZJIFMZXUXPTB-UXHICEINSA-N 1 2 347.462 3.263 20 30 EGEDLO N#C[C@H]1C[N@@H+](C[C@H]2CCOc3ccccc32)CCN1Cc1ccccc1 ZINC000611249333 460316163 /nfs/dbraw/zinc/31/61/63/460316163.db2.gz GNZJIFMZXUXPTB-UXHICEINSA-N 1 2 347.462 3.263 20 30 EGEDLO Cc1nc(C)c(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)s1 ZINC000611551822 460395812 /nfs/dbraw/zinc/39/58/12/460395812.db2.gz UXCPFOQZPSWFEU-QGZVFWFLSA-N 1 2 344.459 3.282 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+]2C[C@H](C(F)(F)F)CC[C@@H]2C)c(C#N)c1C ZINC000611554252 460397058 /nfs/dbraw/zinc/39/70/58/460397058.db2.gz JJOVNGXNTJQUTA-JOYOIKCWSA-N 1 2 343.349 3.369 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@H](C(F)(F)F)CC[C@@H]2C)c(C#N)c1C ZINC000611554252 460397062 /nfs/dbraw/zinc/39/70/62/460397062.db2.gz JJOVNGXNTJQUTA-JOYOIKCWSA-N 1 2 343.349 3.369 20 30 EGEDLO C=C[C@H]([NH2+]CC1(c2ccc(OC)c(OC)c2)CCCCC1)C(=O)OC ZINC000619701687 460419653 /nfs/dbraw/zinc/41/96/53/460419653.db2.gz RLGWCYWZMVGFRC-INIZCTEOSA-N 1 2 347.455 3.223 20 30 EGEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CCCn3cc[nH+]c3)sc2C1 ZINC000604528096 460440741 /nfs/dbraw/zinc/44/07/41/460440741.db2.gz SPIQICJVRCHRIB-LBPRGKRZSA-N 1 2 328.441 3.360 20 30 EGEDLO CCOC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CC1CCC(C#N)CC1 ZINC000600595993 460539108 /nfs/dbraw/zinc/53/91/08/460539108.db2.gz SGYWJMCDAZONQT-HTWSVDAQSA-N 1 2 332.419 3.219 20 30 EGEDLO C[NH+](C)[C@H](CNC(=O)c1ccccc1CC#N)c1c(F)cccc1F ZINC000601180404 460741868 /nfs/dbraw/zinc/74/18/68/460741868.db2.gz NVFDXJTUMBZQHL-QGZVFWFLSA-N 1 2 343.377 3.064 20 30 EGEDLO Cn1cc[nH+]c1[C@H](CC(=O)Nc1cc(F)cc(C#N)c1)C(F)(F)F ZINC000601710125 460879739 /nfs/dbraw/zinc/87/97/39/460879739.db2.gz IOYQMQVFVXVTHP-LBPRGKRZSA-N 1 2 340.280 3.106 20 30 EGEDLO C=CCCn1cc(C[NH2+]C2(c3ccc(Br)cc3)CC2)nn1 ZINC000653602004 461754094 /nfs/dbraw/zinc/75/40/94/461754094.db2.gz IJPDMVRLUXKOKI-UHFFFAOYSA-N 1 2 347.260 3.396 20 30 EGEDLO Cc1nc(NCc2cccc(C(=O)N[C@@H](C#N)CC(C)C)c2)cc[nH+]1 ZINC000612535270 469489431 /nfs/dbraw/zinc/48/94/31/469489431.db2.gz DOYBVHJDAFIVJH-QGZVFWFLSA-N 1 2 337.427 3.065 20 30 EGEDLO CC(C)(C)c1ccc(NC(=O)CO[NH+]=C(N)c2ccccc2)cc1 ZINC000005295516 519036113 /nfs/dbraw/zinc/03/61/13/519036113.db2.gz BRNCQBUMUXZKMN-UHFFFAOYSA-N 1 2 325.412 3.260 20 30 EGEDLO C=CCC[C@H](C(=O)N1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000187495269 527462495 /nfs/dbraw/zinc/46/24/95/527462495.db2.gz KPHOFTOXOOFDON-NRFANRHFSA-N 1 2 349.478 3.476 20 30 EGEDLO CCOC(=O)C[N@H+](Cc1cc(C#N)n(C)c1)[C@@H](C)c1ccccc1 ZINC000191457265 528802965 /nfs/dbraw/zinc/80/29/65/528802965.db2.gz LTUGJQIOGZTVHA-HNNXBMFYSA-N 1 2 325.412 3.023 20 30 EGEDLO CCOC(=O)C[N@@H+](Cc1cc(C#N)n(C)c1)[C@@H](C)c1ccccc1 ZINC000191457265 528802972 /nfs/dbraw/zinc/80/29/72/528802972.db2.gz LTUGJQIOGZTVHA-HNNXBMFYSA-N 1 2 325.412 3.023 20 30 EGEDLO CC[C@@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1nc(C)cs1 ZINC000184377580 529155116 /nfs/dbraw/zinc/15/51/16/529155116.db2.gz KUBORESXOKZNQA-CYBMUJFWSA-N 1 2 332.429 3.212 20 30 EGEDLO O=C(NC1C2CC3CC(C2)CC1C3)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328708463 547483479 /nfs/dbraw/zinc/48/34/79/547483479.db2.gz QJZSBKBQDZNRDG-UHFFFAOYSA-N 1 2 328.460 3.328 20 30 EGEDLO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH+]=C([O-])N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329503133 547499489 /nfs/dbraw/zinc/49/94/89/547499489.db2.gz ANHMHJSINJDSAS-WBMJQRKESA-N 1 2 342.443 3.386 20 30 EGEDLO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH+]=C([O-])N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329503133 547499494 /nfs/dbraw/zinc/49/94/94/547499494.db2.gz ANHMHJSINJDSAS-WBMJQRKESA-N 1 2 342.443 3.386 20 30 EGEDLO Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCc3c[nH+]c[nH]3)C2)c1 ZINC000329733004 547505651 /nfs/dbraw/zinc/50/56/51/547505651.db2.gz JHSGRSOEAXFCBV-OAHLLOKOSA-N 1 2 340.427 3.035 20 30 EGEDLO Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCc3c[nH]c[nH+]3)C2)c1 ZINC000329733004 547505656 /nfs/dbraw/zinc/50/56/56/547505656.db2.gz JHSGRSOEAXFCBV-OAHLLOKOSA-N 1 2 340.427 3.035 20 30 EGEDLO Cc1nc(C)c(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000329790782 547508125 /nfs/dbraw/zinc/50/81/25/547508125.db2.gz CZZHKFQWMBIWHN-UHFFFAOYSA-N 1 2 331.441 3.228 20 30 EGEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)[C@H]1CCCN1c1ccccc1 ZINC000330270905 547517611 /nfs/dbraw/zinc/51/76/11/547517611.db2.gz VAFHUDKFNQYURJ-GOSISDBHSA-N 1 2 338.455 3.387 20 30 EGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3CCC[C@@H]3C#N)n2)C1 ZINC000332914562 547524511 /nfs/dbraw/zinc/52/45/11/547524511.db2.gz UFUSBKPUWGUJHI-NFAWXSAZSA-N 1 2 347.488 3.189 20 30 EGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3CCC[C@@H]3C#N)n2)C1 ZINC000332914562 547524515 /nfs/dbraw/zinc/52/45/15/547524515.db2.gz UFUSBKPUWGUJHI-NFAWXSAZSA-N 1 2 347.488 3.189 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3cc(C)ccc3OC)CC2)CCC1 ZINC000682850961 550153428 /nfs/dbraw/zinc/15/34/28/550153428.db2.gz VEJMAHZMTDKWSS-UHFFFAOYSA-N 1 2 342.483 3.394 20 30 EGEDLO C#CC[N@H+](Cc1cn(-c2ccccc2)nn1)[C@H]1CCc2ccccc21 ZINC000726789026 574571646 /nfs/dbraw/zinc/57/16/46/574571646.db2.gz QCBGZWLRDHITHH-NRFANRHFSA-N 1 2 328.419 3.390 20 30 EGEDLO C#CC[N@@H+](Cc1cn(-c2ccccc2)nn1)[C@H]1CCc2ccccc21 ZINC000726789026 574571648 /nfs/dbraw/zinc/57/16/48/574571648.db2.gz QCBGZWLRDHITHH-NRFANRHFSA-N 1 2 328.419 3.390 20 30 EGEDLO C=CC[N@@H+](CCC(=O)Nc1cccc2ccccc21)CC(=O)OCC ZINC000728917704 574786334 /nfs/dbraw/zinc/78/63/34/574786334.db2.gz LVKWABYDZMCLMS-UHFFFAOYSA-N 1 2 340.423 3.220 20 30 EGEDLO C=CC[N@H+](CCC(=O)Nc1cccc2ccccc21)CC(=O)OCC ZINC000728917704 574786335 /nfs/dbraw/zinc/78/63/35/574786335.db2.gz LVKWABYDZMCLMS-UHFFFAOYSA-N 1 2 340.423 3.220 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C2SCCS2)c1 ZINC000730104813 574920124 /nfs/dbraw/zinc/92/01/24/574920124.db2.gz YZUNGGBAINITEU-HNNXBMFYSA-N 1 2 332.494 3.201 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C2SCCS2)c1 ZINC000730104813 574920126 /nfs/dbraw/zinc/92/01/26/574920126.db2.gz YZUNGGBAINITEU-HNNXBMFYSA-N 1 2 332.494 3.201 20 30 EGEDLO C=CCN1c2ccccc2C(=NNc2cc[nH+]c3ccccc23)C1=O ZINC000730148611 574925910 /nfs/dbraw/zinc/92/59/10/574925910.db2.gz ZEDKRVRTWXNALA-UHFFFAOYSA-N 1 2 328.375 3.006 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000730282528 574965809 /nfs/dbraw/zinc/96/58/09/574965809.db2.gz FNZZIKVTRBJHGZ-HNNXBMFYSA-N 1 2 325.437 3.210 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000730282528 574965811 /nfs/dbraw/zinc/96/58/11/574965811.db2.gz FNZZIKVTRBJHGZ-HNNXBMFYSA-N 1 2 325.437 3.210 20 30 EGEDLO CCc1cccc2c(CC/[NH+]=C\c3c(O)c(C)ncc3CO)c[nH]c21 ZINC000731937844 575222703 /nfs/dbraw/zinc/22/27/03/575222703.db2.gz OUNGNTVIQUGUPE-NHDPSOOVSA-N 1 2 337.423 3.293 20 30 EGEDLO C=CC1CC[NH+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 ZINC000732206280 575244492 /nfs/dbraw/zinc/24/44/92/575244492.db2.gz XGYJZYQQEBWMGW-AWEZNQCLSA-N 1 2 325.437 3.371 20 30 EGEDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1nc2ccccc2s1 ZINC000734506218 575503748 /nfs/dbraw/zinc/50/37/48/575503748.db2.gz LJIZVUWMJLILAB-BDJLRTHQSA-N 1 2 336.420 3.045 20 30 EGEDLO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](CO)c2c(F)cccc2F)cc1 ZINC000734847642 575560178 /nfs/dbraw/zinc/56/01/78/575560178.db2.gz RZEMLKXJGSVLBW-SJCJKPOMSA-N 1 2 332.350 3.079 20 30 EGEDLO NC(=[NH+]OCC1CCOCC1)c1ccc(OCc2ccccc2)cc1 ZINC000735488158 575668969 /nfs/dbraw/zinc/66/89/69/575668969.db2.gz HDRCWUCXYZDIBS-UHFFFAOYSA-N 1 2 340.423 3.329 20 30 EGEDLO C=C(Cl)CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000736397975 575950159 /nfs/dbraw/zinc/95/01/59/575950159.db2.gz PIWOVUWJFKESQS-ZDUSSCGKSA-N 1 2 339.226 3.215 20 30 EGEDLO CC(C)OCCC[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000740881487 576633369 /nfs/dbraw/zinc/63/33/69/576633369.db2.gz WYAUHDQFUPJTJW-CQSZACIVSA-N 1 2 345.468 3.219 20 30 EGEDLO CC(C)OCCC[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000740881487 576633372 /nfs/dbraw/zinc/63/33/72/576633372.db2.gz WYAUHDQFUPJTJW-CQSZACIVSA-N 1 2 345.468 3.219 20 30 EGEDLO Cc1nc(Cl)cc(N=NC(C)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000741767244 576718695 /nfs/dbraw/zinc/71/86/95/576718695.db2.gz SUPVRLWGPZNNGE-UHFFFAOYSA-N 1 2 326.791 3.460 20 30 EGEDLO Cc1cccc2c1CC[N@H+](Cc1nnc(-c3cccc(C#N)c3)o1)C2 ZINC000743847084 576816764 /nfs/dbraw/zinc/81/67/64/576816764.db2.gz XFBYAMLXRLSILL-UHFFFAOYSA-N 1 2 330.391 3.475 20 30 EGEDLO Cc1cccc2c1CC[N@@H+](Cc1nnc(-c3cccc(C#N)c3)o1)C2 ZINC000743847084 576816765 /nfs/dbraw/zinc/81/67/65/576816765.db2.gz XFBYAMLXRLSILL-UHFFFAOYSA-N 1 2 330.391 3.475 20 30 EGEDLO CCCCCCCCCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000745343468 576846175 /nfs/dbraw/zinc/84/61/75/576846175.db2.gz VJIZTRAYDVHMGC-SFHVURJKSA-N 1 2 339.524 3.243 20 30 EGEDLO N#Cc1ccc(F)c(C[NH2+]Cc2cc(O)ccc2Br)c1 ZINC000769929025 1303194735 /nfs/dbraw/zinc/19/47/35/1303194735.db2.gz UQUOYCQZRZMBHX-UHFFFAOYSA-N 1 2 335.176 3.455 20 30 EGEDLO Cc1cc(C)c(NC(=O)CO[NH+]=C(N)c2ccc(F)c(C)c2)c(C)c1 ZINC000063458052 1292009733 /nfs/dbraw/zinc/00/97/33/1292009733.db2.gz DUMXJGPVVAOMTB-UHFFFAOYSA-N 1 2 343.402 3.335 20 30 EGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C#Cc3ccccc3)n2)C1 ZINC000081583845 1292665932 /nfs/dbraw/zinc/66/59/32/1292665932.db2.gz FSEZDMVVNLLSIQ-OAHLLOKOSA-N 1 2 339.464 3.365 20 30 EGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C#Cc3ccccc3)n2)C1 ZINC000081583845 1292665945 /nfs/dbraw/zinc/66/59/45/1292665945.db2.gz FSEZDMVVNLLSIQ-OAHLLOKOSA-N 1 2 339.464 3.365 20 30 EGEDLO COc1ccc(CC(N)=[NH+]OCc2ccc(F)cc2F)cc1OC ZINC000084915031 1292714937 /nfs/dbraw/zinc/71/49/37/1292714937.db2.gz HWJRUCQFQBKQCV-UHFFFAOYSA-N 1 2 336.338 3.014 20 30 EGEDLO COC(=O)c1cccc(N[NH+]=Cc2ccc(N3CCCC3)nc2)c1F ZINC000835018776 1293188499 /nfs/dbraw/zinc/18/84/99/1293188499.db2.gz GZXDIKCXBZVJOO-UHFFFAOYSA-N 1 2 342.374 3.054 20 30 EGEDLO COC(=O)c1cccc(N[NH+]=Cc2ccc(N(C)C(C)C)nc2)c1F ZINC000835019589 1293189666 /nfs/dbraw/zinc/18/96/66/1293189666.db2.gz YWWOXYOQZLODND-UHFFFAOYSA-N 1 2 344.390 3.298 20 30 EGEDLO COc1cc(C(=O)/C=C/c2c[nH+]c3c(C)cccn23)c(OC)cc1O ZINC000122518851 1293415869 /nfs/dbraw/zinc/41/58/69/1293415869.db2.gz ONPJRRQDEUHASL-VOTSOKGWSA-N 1 2 338.363 3.262 20 30 EGEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3cn(-c4ccccc4)nn3)n2c1 ZINC000151448717 1293924670 /nfs/dbraw/zinc/92/46/70/1293924670.db2.gz PEYIVZFXXWEWAD-CMDGGOBGSA-N 1 2 329.363 3.120 20 30 EGEDLO N#CCCCOc1cccc(C[NH2+]Cc2cn(-c3ccccc3)nn2)c1 ZINC000152718414 1293982050 /nfs/dbraw/zinc/98/20/50/1293982050.db2.gz PAPQVWOMRRYGQC-UHFFFAOYSA-N 1 2 347.422 3.240 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2CC[C@H](C)[C@H]2C)c1=S ZINC000162210739 1294310477 /nfs/dbraw/zinc/31/04/77/1294310477.db2.gz VUZYTWJNDWFNBE-UONOGXRCSA-N 1 2 329.473 3.350 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2CC[C@H](C)[C@H]2C)c1=S ZINC000162210739 1294310482 /nfs/dbraw/zinc/31/04/82/1294310482.db2.gz VUZYTWJNDWFNBE-UONOGXRCSA-N 1 2 329.473 3.350 20 30 EGEDLO COc1ccc(CC(N)=[NH+]OCc2cc(F)ccc2F)cc1OC ZINC000195169814 1296043717 /nfs/dbraw/zinc/04/37/17/1296043717.db2.gz PHSZLZSDBDXKOX-UHFFFAOYSA-N 1 2 336.338 3.014 20 30 EGEDLO N#Cc1ccccc1/C=C\C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000255310640 1296517145 /nfs/dbraw/zinc/51/71/45/1296517145.db2.gz ZYWXPCRYAHGYEC-HJWRWDBZSA-N 1 2 346.434 3.273 20 30 EGEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ncc(Br)s1 ZINC000255426236 1296533965 /nfs/dbraw/zinc/53/39/65/1296533965.db2.gz YIPPNCYUHXUILO-PLNGDYQASA-N 1 2 334.198 3.449 20 30 EGEDLO COc1cc(C(=O)/C=C\c2c[nH+]c3ccccn23)cc(OC)c1OC ZINC000255780042 1296569362 /nfs/dbraw/zinc/56/93/62/1296569362.db2.gz XTGGQECATQHKHW-FPLPWBNLSA-N 1 2 338.363 3.256 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000397635246 1297703586 /nfs/dbraw/zinc/70/35/86/1297703586.db2.gz WUFLDXAARHCZOK-NSHDSACASA-N 1 2 338.205 3.483 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000397635246 1297703593 /nfs/dbraw/zinc/70/35/93/1297703593.db2.gz WUFLDXAARHCZOK-NSHDSACASA-N 1 2 338.205 3.483 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](C)CCC2CC2)c1=S ZINC000746638432 1298627922 /nfs/dbraw/zinc/62/79/22/1298627922.db2.gz XVMCUUNOOXPBGB-UHFFFAOYSA-N 1 2 329.473 3.351 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](C)CCC2CC2)c1=S ZINC000746638432 1298627938 /nfs/dbraw/zinc/62/79/38/1298627938.db2.gz XVMCUUNOOXPBGB-UHFFFAOYSA-N 1 2 329.473 3.351 20 30 EGEDLO CCN(C)c1ccc(C(C)=[NH+]Nc2ccccc2S(C)(=O)=O)cc1 ZINC000748076624 1298923981 /nfs/dbraw/zinc/92/39/81/1298923981.db2.gz WLDHMWSGQXICGZ-UHFFFAOYSA-N 1 2 345.468 3.382 20 30 EGEDLO C#CC[N@@H+](Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1)C1CC1 ZINC000877371498 1299265078 /nfs/dbraw/zinc/26/50/78/1299265078.db2.gz IBVPGEBVPKWUMP-UHFFFAOYSA-N 1 2 333.432 3.032 20 30 EGEDLO C#CC[N@H+](Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1)C1CC1 ZINC000877371498 1299265085 /nfs/dbraw/zinc/26/50/85/1299265085.db2.gz IBVPGEBVPKWUMP-UHFFFAOYSA-N 1 2 333.432 3.032 20 30 EGEDLO CC(C)C[C@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000751526514 1299561071 /nfs/dbraw/zinc/56/10/71/1299561071.db2.gz XSDVHLPZROENFN-ZDUSSCGKSA-N 1 2 326.444 3.081 20 30 EGEDLO Cc1ccc(-c2cc(CO[NH+]=C(N)c3ccc4c(c3)CCO4)on2)cc1 ZINC000753830443 1300026790 /nfs/dbraw/zinc/02/67/90/1300026790.db2.gz RRZNPNCSKBPSBF-UHFFFAOYSA-N 1 2 349.390 3.422 20 30 EGEDLO CC(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1ccc(Cl)c(Cl)c1O ZINC000753937813 1300047287 /nfs/dbraw/zinc/04/72/87/1300047287.db2.gz HNQPMQDGYXPLNO-RYUDHWBXSA-N 1 2 341.242 3.283 20 30 EGEDLO N#Cc1c(NC(=O)C[N@H+]2CC[C@H](CF)C2)sc2c1CCCCC2 ZINC000880294504 1301033364 /nfs/dbraw/zinc/03/33/64/1301033364.db2.gz KWGUXFUVPQNONG-GFCCVEGCSA-N 1 2 335.448 3.119 20 30 EGEDLO N#Cc1c(NC(=O)C[N@@H+]2CC[C@H](CF)C2)sc2c1CCCCC2 ZINC000880294504 1301033375 /nfs/dbraw/zinc/03/33/75/1301033375.db2.gz KWGUXFUVPQNONG-GFCCVEGCSA-N 1 2 335.448 3.119 20 30 EGEDLO CCN(CCO)c1ccc(C=[NH+]Nc2cc(F)cc(OC)c2)c(C)c1 ZINC000759206024 1301041116 /nfs/dbraw/zinc/04/11/16/1301041116.db2.gz IVWHSMBYIIVRQB-UHFFFAOYSA-N 1 2 345.418 3.407 20 30 EGEDLO CC#CC[NH2+]Cc1cn(Cc2cccc(SC(F)(F)F)c2)nn1 ZINC000881209260 1301483545 /nfs/dbraw/zinc/48/35/45/1301483545.db2.gz AFAVQCLMKGQAGC-UHFFFAOYSA-N 1 2 340.374 3.051 20 30 EGEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@H](C3CC3)C2)nc1-c1ccncc1 ZINC000763331247 1301877552 /nfs/dbraw/zinc/87/75/52/1301877552.db2.gz FOXWUACGCRBLLI-INIZCTEOSA-N 1 2 341.484 3.351 20 30 EGEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@H](C3CC3)C2)nc1-c1ccncc1 ZINC000763331247 1301877560 /nfs/dbraw/zinc/87/75/60/1301877560.db2.gz FOXWUACGCRBLLI-INIZCTEOSA-N 1 2 341.484 3.351 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)OCC ZINC000882872698 1302141289 /nfs/dbraw/zinc/14/12/89/1302141289.db2.gz KJANZHKMSVVOBV-ZWKOTPCHSA-N 1 2 327.428 3.112 20 30 EGEDLO COc1ccc(C(N)=[NH+]OCc2nc(Cl)ccc2Cl)cc1 ZINC000764937940 1302172329 /nfs/dbraw/zinc/17/23/29/1302172329.db2.gz XRCMDZVUBRKWHV-UHFFFAOYSA-N 1 2 326.183 3.234 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CC2)C[C@H]1C ZINC000947635431 1333202527 /nfs/dbraw/zinc/20/25/27/1333202527.db2.gz VLHAMJUDXBTWIN-OCCSQVGLSA-N 1 2 343.309 3.300 20 30 EGEDLO O=[N+]([O-])c1cc(N[NH+]=Cc2ccc(N3CCCC3)nc2)ccc1F ZINC000769829470 1303182409 /nfs/dbraw/zinc/18/24/09/1303182409.db2.gz QLOXWUMUBFQCHS-UHFFFAOYSA-N 1 2 329.335 3.175 20 30 EGEDLO C#C[C@H](C)[N@H+](C)CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 ZINC000769975413 1303201103 /nfs/dbraw/zinc/20/11/03/1303201103.db2.gz FZKDBDSULPDDKN-QFBILLFUSA-N 1 2 349.434 3.219 20 30 EGEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 ZINC000769975413 1303201110 /nfs/dbraw/zinc/20/11/10/1303201110.db2.gz FZKDBDSULPDDKN-QFBILLFUSA-N 1 2 349.434 3.219 20 30 EGEDLO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2nnnn2CC2CC2)cc1 ZINC000769984022 1303202282 /nfs/dbraw/zinc/20/22/82/1303202282.db2.gz CGMUJZWVDFKBJC-ZDUSSCGKSA-N 1 2 347.850 3.065 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1coc(-c2ccc(OCC)cc2)n1)[C@H]1CCCO1 ZINC000775788121 1304036553 /nfs/dbraw/zinc/03/65/53/1304036553.db2.gz CPKSLZLUGXWDPG-QZTJIDSGSA-N 1 2 326.396 3.011 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000776790920 1304199355 /nfs/dbraw/zinc/19/93/55/1304199355.db2.gz MWHRLVLBJYITFE-OAHLLOKOSA-N 1 2 329.444 3.308 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000776790920 1304199358 /nfs/dbraw/zinc/19/93/58/1304199358.db2.gz MWHRLVLBJYITFE-OAHLLOKOSA-N 1 2 329.444 3.308 20 30 EGEDLO C#CC[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)(C)C ZINC000781551531 1304841513 /nfs/dbraw/zinc/84/15/13/1304841513.db2.gz PXDZVNSTQWHBJG-INIZCTEOSA-N 1 2 341.367 3.375 20 30 EGEDLO Cc1cc(Br)cn2c(/C=C/C(=O)c3cnn(C)c3)c[nH+]c12 ZINC000783708018 1305130285 /nfs/dbraw/zinc/13/02/85/1305130285.db2.gz NIXCLGPNJOGNNR-ONEGZZNKSA-N 1 2 345.200 3.035 20 30 EGEDLO Cc1cccc([C@H]2CCC[N@@H+]2Cn2cc3c(c(C#N)c2=O)CCCC3)n1 ZINC000793506177 1309385428 /nfs/dbraw/zinc/38/54/28/1309385428.db2.gz SZUVJRMUJWQBLQ-HXUWFJFHSA-N 1 2 348.450 3.097 20 30 EGEDLO Cc1cccc([C@H]2CCC[N@H+]2Cn2cc3c(c(C#N)c2=O)CCCC3)n1 ZINC000793506177 1309385437 /nfs/dbraw/zinc/38/54/37/1309385437.db2.gz SZUVJRMUJWQBLQ-HXUWFJFHSA-N 1 2 348.450 3.097 20 30 EGEDLO CC1(C#N)CC[NH+](CN2CC[C@@H](CCc3ccccc3)C2=O)CC1 ZINC000793512231 1309387714 /nfs/dbraw/zinc/38/77/14/1309387714.db2.gz PVXQUMBBZIDBLI-GOSISDBHSA-N 1 2 325.456 3.051 20 30 EGEDLO C=CCn1nnn(C[N@H+]2CC[C@H](c3ccc(C)cc3C)C2)c1=S ZINC000794667441 1309568348 /nfs/dbraw/zinc/56/83/48/1309568348.db2.gz WJMMJFFYHKGODV-HNNXBMFYSA-N 1 2 329.473 3.059 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2CC[C@H](c3ccc(C)cc3C)C2)c1=S ZINC000794667441 1309568353 /nfs/dbraw/zinc/56/83/53/1309568353.db2.gz WJMMJFFYHKGODV-HNNXBMFYSA-N 1 2 329.473 3.059 20 30 EGEDLO C[NH+](C)c1ccc(N2CCC(N=Nc3ncccc3F)CC2)cc1 ZINC000794993221 1309645157 /nfs/dbraw/zinc/64/51/57/1309645157.db2.gz JTFFKMPQGGCIHT-UHFFFAOYSA-N 1 2 327.407 3.355 20 30 EGEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000796294729 1309955572 /nfs/dbraw/zinc/95/55/72/1309955572.db2.gz MEUYLFGWVOSMCS-AWEZNQCLSA-N 1 2 346.736 3.139 20 30 EGEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000796294729 1309955576 /nfs/dbraw/zinc/95/55/76/1309955576.db2.gz MEUYLFGWVOSMCS-AWEZNQCLSA-N 1 2 346.736 3.139 20 30 EGEDLO CCCCOC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000796515809 1310017885 /nfs/dbraw/zinc/01/78/85/1310017885.db2.gz CKQBBVKYBPXVDO-AWEZNQCLSA-N 1 2 348.418 3.272 20 30 EGEDLO C#CC[N@@H+](CC(=O)NCc1ccc(Cl)cc1)Cc1ccccc1 ZINC000796638533 1310053456 /nfs/dbraw/zinc/05/34/56/1310053456.db2.gz AHSCNYCLLLNQFO-UHFFFAOYSA-N 1 2 326.827 3.092 20 30 EGEDLO C#CC[N@H+](CC(=O)NCc1ccc(Cl)cc1)Cc1ccccc1 ZINC000796638533 1310053467 /nfs/dbraw/zinc/05/34/67/1310053467.db2.gz AHSCNYCLLLNQFO-UHFFFAOYSA-N 1 2 326.827 3.092 20 30 EGEDLO C#CC[N@@H+](CC(=O)NCc1cccc(Cl)c1)Cc1ccccc1 ZINC000796640802 1310054568 /nfs/dbraw/zinc/05/45/68/1310054568.db2.gz IUGFQBWPRINVIJ-UHFFFAOYSA-N 1 2 326.827 3.092 20 30 EGEDLO C#CC[N@H+](CC(=O)NCc1cccc(Cl)c1)Cc1ccccc1 ZINC000796640802 1310054576 /nfs/dbraw/zinc/05/45/76/1310054576.db2.gz IUGFQBWPRINVIJ-UHFFFAOYSA-N 1 2 326.827 3.092 20 30 EGEDLO N#Cc1ccc(C2CCN(c3nc(N)c4ccccc4[nH+]3)CC2)cc1 ZINC000896864450 1310057242 /nfs/dbraw/zinc/05/72/42/1310057242.db2.gz JCVMZPZRYDROOH-UHFFFAOYSA-N 1 2 329.407 3.468 20 30 EGEDLO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cccc(Br)c1O ZINC000797877842 1310260864 /nfs/dbraw/zinc/26/08/64/1310260864.db2.gz DWLFDENZWLZPNT-IUODEOHRSA-N 1 2 326.234 3.226 20 30 EGEDLO C#C[C@H](NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2)C(C)C ZINC000799043842 1310473048 /nfs/dbraw/zinc/47/30/48/1310473048.db2.gz FXSMDRVAFCGEDV-KRWDZBQOSA-N 1 2 335.451 3.000 20 30 EGEDLO C#C[C@H](NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2)C(C)C ZINC000799043842 1310473053 /nfs/dbraw/zinc/47/30/53/1310473053.db2.gz FXSMDRVAFCGEDV-KRWDZBQOSA-N 1 2 335.451 3.000 20 30 EGEDLO Cc1nn(-c2ccccn2)c(C)c1C=NNc1cc[nH+]c2ccccc12 ZINC000802711842 1317027547 /nfs/dbraw/zinc/02/75/47/1317027547.db2.gz ZQAZIZWSIPVYIS-UHFFFAOYSA-N 1 2 342.406 3.300 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cccc(-c3cnco3)c2)C1 ZINC000957077089 1317174247 /nfs/dbraw/zinc/17/42/47/1317174247.db2.gz ORMTYWIMNHADCQ-UHFFFAOYSA-N 1 2 325.412 3.064 20 30 EGEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1cccc(N2CCOC2=O)c1 ZINC000901464075 1317430080 /nfs/dbraw/zinc/43/00/80/1317430080.db2.gz FLVVXXSFJBMZFI-SREVYHEPSA-N 1 2 325.368 3.317 20 30 EGEDLO N#Cc1cccc(CNc2cc[nH+]c(OCC(F)(F)C(F)F)c2)n1 ZINC000902097918 1317521688 /nfs/dbraw/zinc/52/16/88/1317521688.db2.gz MKFRBXHIDCILJF-UHFFFAOYSA-N 1 2 340.280 3.240 20 30 EGEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccccc1I ZINC000903101597 1317653212 /nfs/dbraw/zinc/65/32/12/1317653212.db2.gz JSZRLABRKMDGAZ-SNVBAGLBSA-N 1 2 326.181 3.246 20 30 EGEDLO C#C[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)C(C)(C)C ZINC000808315594 1317660234 /nfs/dbraw/zinc/66/02/34/1317660234.db2.gz JTCFRYYVXGDFCW-GDBMZVCRSA-N 1 2 333.501 3.184 20 30 EGEDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N(O)Cc1cc(Cl)cc(Cl)c1 ZINC000904180190 1317804674 /nfs/dbraw/zinc/80/46/74/1317804674.db2.gz IOFBNCLJWPJBRW-LLVKDONJSA-N 1 2 340.210 3.170 20 30 EGEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc(Br)nc1 ZINC000811697273 1318229293 /nfs/dbraw/zinc/22/92/93/1318229293.db2.gz YWTYMVODPNLZCA-WAYWQWQTSA-N 1 2 328.169 3.388 20 30 EGEDLO CC(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000960384938 1318512314 /nfs/dbraw/zinc/51/23/14/1318512314.db2.gz PWSBVZFGQCTCQN-GOSISDBHSA-N 1 2 331.435 3.166 20 30 EGEDLO CC(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000960384938 1318512322 /nfs/dbraw/zinc/51/23/22/1318512322.db2.gz PWSBVZFGQCTCQN-GOSISDBHSA-N 1 2 331.435 3.166 20 30 EGEDLO C=CCC(C)(C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000814117459 1318679195 /nfs/dbraw/zinc/67/91/95/1318679195.db2.gz GVZMQIACXSDOBB-UHFFFAOYSA-N 1 2 329.488 3.440 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1coc(C)n1 ZINC000960648100 1318770066 /nfs/dbraw/zinc/77/00/66/1318770066.db2.gz KJWDFDMUMAZQGH-OAHLLOKOSA-N 1 2 339.867 3.185 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1coc(C)n1 ZINC000960648100 1318770074 /nfs/dbraw/zinc/77/00/74/1318770074.db2.gz KJWDFDMUMAZQGH-OAHLLOKOSA-N 1 2 339.867 3.185 20 30 EGEDLO CC1(C)Cc2nc(N)sc2C(=[NH+][N-]c2cc[nH+]c3ccccc23)C1 ZINC000814841757 1318829827 /nfs/dbraw/zinc/82/98/27/1318829827.db2.gz VWRIYFSABYMYNL-UHFFFAOYSA-N 1 2 337.452 3.484 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1csc(C)n1 ZINC000960785419 1318885907 /nfs/dbraw/zinc/88/59/07/1318885907.db2.gz FYMWZXWPBBPLRP-MRXNPFEDSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1csc(C)n1 ZINC000960785419 1318885910 /nfs/dbraw/zinc/88/59/10/1318885910.db2.gz FYMWZXWPBBPLRP-MRXNPFEDSA-N 1 2 335.517 3.477 20 30 EGEDLO C=CCC[C@@H](Nc1ccc(N2CCN(C(=O)OC)CC2)[nH+]c1)C1CC1 ZINC000815656556 1319039452 /nfs/dbraw/zinc/03/94/52/1319039452.db2.gz ZICDYRZACIEXFU-QGZVFWFLSA-N 1 2 344.459 3.127 20 30 EGEDLO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ncc(C(=O)OC)s2)cc1 ZINC000818357557 1319535443 /nfs/dbraw/zinc/53/54/43/1319535443.db2.gz AEWUEELHCRPRER-CHWSQXEVSA-N 1 2 344.436 3.354 20 30 EGEDLO C=CC[N@@H+](Cc1nc(N)nc(Nc2ccccc2CC)n1)C(C)C ZINC000917167183 1319765071 /nfs/dbraw/zinc/76/50/71/1319765071.db2.gz ZAXMTIWSUZDKHE-UHFFFAOYSA-N 1 2 326.448 3.156 20 30 EGEDLO C=CC[N@H+](Cc1nc(N)nc(Nc2ccccc2CC)n1)C(C)C ZINC000917167183 1319765079 /nfs/dbraw/zinc/76/50/79/1319765079.db2.gz ZAXMTIWSUZDKHE-UHFFFAOYSA-N 1 2 326.448 3.156 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@](C)(O)c1cc(C)oc1C ZINC000820663627 1319930157 /nfs/dbraw/zinc/93/01/57/1319930157.db2.gz BPVFMLGXXVFIMU-LJQANCHMSA-N 1 2 328.412 3.403 20 30 EGEDLO Nc1ccc(/C=C2/COc3ccc(Br)cc3C2=O)c[nH+]1 ZINC000821040275 1319996087 /nfs/dbraw/zinc/99/60/87/1319996087.db2.gz XDTJOKYYSPYTHN-YHYXMXQVSA-N 1 2 331.169 3.085 20 30 EGEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000824866394 1320292541 /nfs/dbraw/zinc/29/25/41/1320292541.db2.gz BCDKMVNIKFAKLZ-UHFFFAOYSA-N 1 2 343.814 3.167 20 30 EGEDLO C[C@H]1C[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)CC2(CCCC2)O1 ZINC000842644846 1321412565 /nfs/dbraw/zinc/41/25/65/1321412565.db2.gz IMTOGCQAUKCNSX-INIZCTEOSA-N 1 2 336.439 3.413 20 30 EGEDLO C[C@H]1C[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)CC2(CCCC2)O1 ZINC000842644846 1321412567 /nfs/dbraw/zinc/41/25/67/1321412567.db2.gz IMTOGCQAUKCNSX-INIZCTEOSA-N 1 2 336.439 3.413 20 30 EGEDLO C[C@@H](CC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)n1cc[nH+]c1 ZINC000845450353 1321709020 /nfs/dbraw/zinc/70/90/20/1321709020.db2.gz IKHOWAXGUJKCNM-NWDGAFQWSA-N 1 2 343.337 3.455 20 30 EGEDLO Cc1cc(C#N)ccc1NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000846746039 1321804399 /nfs/dbraw/zinc/80/43/99/1321804399.db2.gz XPPDANVBTRVGGC-QGZVFWFLSA-N 1 2 327.453 3.414 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1O ZINC001024337881 1323325062 /nfs/dbraw/zinc/32/50/62/1323325062.db2.gz UAVALUFVRRYZBV-SFHVURJKSA-N 1 2 349.434 3.048 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1O ZINC001024337881 1323325067 /nfs/dbraw/zinc/32/50/67/1323325067.db2.gz UAVALUFVRRYZBV-SFHVURJKSA-N 1 2 349.434 3.048 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCO[C@H]1C(C)C ZINC001024445929 1323406373 /nfs/dbraw/zinc/40/63/73/1323406373.db2.gz YHJPTTORUVSMFV-ULQDDVLXSA-N 1 2 342.911 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCO[C@H]1C(C)C ZINC001024445929 1323406375 /nfs/dbraw/zinc/40/63/75/1323406375.db2.gz YHJPTTORUVSMFV-ULQDDVLXSA-N 1 2 342.911 3.161 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1c(F)cccc1OC ZINC001024454263 1323412798 /nfs/dbraw/zinc/41/27/98/1323412798.db2.gz DFLDZUXGSWXRJU-CYBMUJFWSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(F)cccc1OC ZINC001024454263 1323412802 /nfs/dbraw/zinc/41/28/02/1323412802.db2.gz DFLDZUXGSWXRJU-CYBMUJFWSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2[nH]nc(C)c2c1 ZINC001024548890 1323490559 /nfs/dbraw/zinc/49/05/59/1323490559.db2.gz KCRKCHVTYZHIHE-HNNXBMFYSA-N 1 2 346.862 3.208 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2[nH]nc(C)c2c1 ZINC001024548890 1323490561 /nfs/dbraw/zinc/49/05/61/1323490561.db2.gz KCRKCHVTYZHIHE-HNNXBMFYSA-N 1 2 346.862 3.208 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)CCOC2 ZINC001024550386 1323491917 /nfs/dbraw/zinc/49/19/17/1323491917.db2.gz HMJJJMUVHJJEOH-SFHVURJKSA-N 1 2 348.874 3.096 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)CCOC2 ZINC001024550386 1323491919 /nfs/dbraw/zinc/49/19/19/1323491919.db2.gz HMJJJMUVHJJEOH-SFHVURJKSA-N 1 2 348.874 3.096 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(OC)c1C ZINC001024681785 1323595211 /nfs/dbraw/zinc/59/52/11/1323595211.db2.gz SFNOPGCURZLOBY-HNNXBMFYSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(OC)c1C ZINC001024681785 1323595223 /nfs/dbraw/zinc/59/52/23/1323595223.db2.gz SFNOPGCURZLOBY-HNNXBMFYSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)c1noc(C)n1 ZINC001025039248 1323841797 /nfs/dbraw/zinc/84/17/97/1323841797.db2.gz KPOBHIOTKXDZLL-ZFWWWQNUSA-N 1 2 334.464 3.012 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccns1 ZINC001025239126 1324031515 /nfs/dbraw/zinc/03/15/15/1324031515.db2.gz ZXPUPFMNMXJTEG-UONOGXRCSA-N 1 2 339.892 3.355 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccns1 ZINC001025239126 1324031519 /nfs/dbraw/zinc/03/15/19/1324031519.db2.gz ZXPUPFMNMXJTEG-UONOGXRCSA-N 1 2 339.892 3.355 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1nncs1 ZINC001025260042 1324071044 /nfs/dbraw/zinc/07/10/44/1324071044.db2.gz VBMZAZHGCXAGES-LSDHHAIUSA-N 1 2 348.516 3.096 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1nncs1 ZINC001025260042 1324071048 /nfs/dbraw/zinc/07/10/48/1324071048.db2.gz VBMZAZHGCXAGES-LSDHHAIUSA-N 1 2 348.516 3.096 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](Cc3nncs3)C2)CC1 ZINC001025520829 1324365733 /nfs/dbraw/zinc/36/57/33/1324365733.db2.gz AXMOOOYBLKYTJT-GOEBONIOSA-N 1 2 348.516 3.001 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](Cc3nncs3)C2)CC1 ZINC001025520829 1324365740 /nfs/dbraw/zinc/36/57/40/1324365740.db2.gz AXMOOOYBLKYTJT-GOEBONIOSA-N 1 2 348.516 3.001 20 30 EGEDLO C[C@H](C#N)[N@H+](Cn1ccc(=O)c2cccc(Br)c21)C1CC1 ZINC000853546575 1325120434 /nfs/dbraw/zinc/12/04/34/1325120434.db2.gz LSUSZXPXAWTERR-LLVKDONJSA-N 1 2 346.228 3.098 20 30 EGEDLO C[C@H](C#N)[N@@H+](Cn1ccc(=O)c2cccc(Br)c21)C1CC1 ZINC000853546575 1325120439 /nfs/dbraw/zinc/12/04/39/1325120439.db2.gz LSUSZXPXAWTERR-LLVKDONJSA-N 1 2 346.228 3.098 20 30 EGEDLO CCCCc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)cs1 ZINC001027330343 1325487833 /nfs/dbraw/zinc/48/78/33/1325487833.db2.gz NTPVTKJBKWJYKS-GDBMZVCRSA-N 1 2 348.516 3.068 20 30 EGEDLO CCCCc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)cs1 ZINC001027330343 1325487837 /nfs/dbraw/zinc/48/78/37/1325487837.db2.gz NTPVTKJBKWJYKS-GDBMZVCRSA-N 1 2 348.516 3.068 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C2CCCCC2)C1 ZINC001032869293 1341641730 /nfs/dbraw/zinc/64/17/30/1341641730.db2.gz HYKHMGKLJMBYTE-AWEZNQCLSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C2CCCCC2)C1 ZINC001032869293 1341641731 /nfs/dbraw/zinc/64/17/31/1341641731.db2.gz HYKHMGKLJMBYTE-AWEZNQCLSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)C2(C)CCC2)C1 ZINC001027528497 1327805987 /nfs/dbraw/zinc/80/59/87/1327805987.db2.gz WNDDIBUWPDXFHC-ZDUSSCGKSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)C2(C)CCC2)C1 ZINC001027528497 1327805994 /nfs/dbraw/zinc/80/59/94/1327805994.db2.gz WNDDIBUWPDXFHC-ZDUSSCGKSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)[C@@H](C)c2nc(CC)no2)C1 ZINC001027519286 1327789203 /nfs/dbraw/zinc/78/92/03/1327789203.db2.gz JCFOFPQTICLHJL-LSDHHAIUSA-N 1 2 348.491 3.218 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)[C@@H](C)c2nc(CC)no2)C1 ZINC001027519286 1327789209 /nfs/dbraw/zinc/78/92/09/1327789209.db2.gz JCFOFPQTICLHJL-LSDHHAIUSA-N 1 2 348.491 3.218 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001027522206 1327796141 /nfs/dbraw/zinc/79/61/41/1327796141.db2.gz UJOZALLHSLQFOR-OAHLLOKOSA-N 1 2 331.460 3.187 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001027522206 1327796145 /nfs/dbraw/zinc/79/61/45/1327796145.db2.gz UJOZALLHSLQFOR-OAHLLOKOSA-N 1 2 331.460 3.187 20 30 EGEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000927074917 1327843919 /nfs/dbraw/zinc/84/39/19/1327843919.db2.gz HBTIBWADNGQALM-RBUKOAKNSA-N 1 2 346.434 3.160 20 30 EGEDLO N#C[C@@H](CCc1ccccc1)C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927077296 1327845647 /nfs/dbraw/zinc/84/56/47/1327845647.db2.gz KEUODDKSSFNXJO-GOSISDBHSA-N 1 2 348.450 3.257 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@H+](C)Cc3ncc(C)o3)C2)CC1 ZINC001027559075 1327869139 /nfs/dbraw/zinc/86/91/39/1327869139.db2.gz NUQRGKLXRGGRDG-KRWDZBQOSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@@H+](C)Cc3ncc(C)o3)C2)CC1 ZINC001027559075 1327869150 /nfs/dbraw/zinc/86/91/50/1327869150.db2.gz NUQRGKLXRGGRDG-KRWDZBQOSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]([N@H+](C)Cc2nc(C)oc2C)C1 ZINC001027560248 1327876307 /nfs/dbraw/zinc/87/63/07/1327876307.db2.gz UEUIGUZFOAWRIU-APWZRJJASA-N 1 2 333.476 3.317 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2nc(C)oc2C)C1 ZINC001027560248 1327876313 /nfs/dbraw/zinc/87/63/13/1327876313.db2.gz UEUIGUZFOAWRIU-APWZRJJASA-N 1 2 333.476 3.317 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c(F)cccc2OC)C1 ZINC000966325208 1328273389 /nfs/dbraw/zinc/27/33/89/1328273389.db2.gz MSIQKUHTMUYUHJ-RISCZKNCSA-N 1 2 340.826 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c(F)cccc2OC)C1 ZINC000966325208 1328273401 /nfs/dbraw/zinc/27/34/01/1328273401.db2.gz MSIQKUHTMUYUHJ-RISCZKNCSA-N 1 2 340.826 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)c2ccccc2n1 ZINC001027973294 1328447640 /nfs/dbraw/zinc/44/76/40/1328447640.db2.gz OAVMUEQQOPFCEX-HNNXBMFYSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)c2ccccc2n1 ZINC001027973294 1328447644 /nfs/dbraw/zinc/44/76/44/1328447644.db2.gz OAVMUEQQOPFCEX-HNNXBMFYSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccnc(CCC)c2)C1 ZINC000966876701 1328448307 /nfs/dbraw/zinc/44/83/07/1328448307.db2.gz YYZPHFYZRUZVTN-CXAGYDPISA-N 1 2 335.879 3.227 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccnc(CCC)c2)C1 ZINC000966876701 1328448313 /nfs/dbraw/zinc/44/83/13/1328448313.db2.gz YYZPHFYZRUZVTN-CXAGYDPISA-N 1 2 335.879 3.227 20 30 EGEDLO FC(F)(F)c1ccccc1NC(=S)NN=C1C[NH+]2CCC1CC2 ZINC000864049538 1329595110 /nfs/dbraw/zinc/59/51/10/1329595110.db2.gz UQWUNQZFEJIWCW-UHFFFAOYSA-N 1 2 342.390 3.073 20 30 EGEDLO C=CCOCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000865342158 1329687616 /nfs/dbraw/zinc/68/76/16/1329687616.db2.gz SXVXETCRTSDUFU-UHFFFAOYSA-N 1 2 330.457 3.115 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2ccoc2C)C[C@@H]1C ZINC000947033115 1332984279 /nfs/dbraw/zinc/98/42/79/1332984279.db2.gz YVMGOBDJAUJYBL-WCQYABFASA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2ccoc2C)C[C@@H]1C ZINC000947033115 1332984283 /nfs/dbraw/zinc/98/42/83/1332984283.db2.gz YVMGOBDJAUJYBL-WCQYABFASA-N 1 2 341.249 3.079 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)C2CC=CC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947152977 1333025278 /nfs/dbraw/zinc/02/52/78/1333025278.db2.gz PMNDFOUKBCWYRU-IFXJQAMLSA-N 1 2 341.430 3.133 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)C2CC=CC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947152977 1333025283 /nfs/dbraw/zinc/02/52/83/1333025283.db2.gz PMNDFOUKBCWYRU-IFXJQAMLSA-N 1 2 341.430 3.133 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)C=C2CCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947186080 1333041873 /nfs/dbraw/zinc/04/18/73/1333041873.db2.gz PMBVORVESUKBPX-AUUYWEPGSA-N 1 2 341.430 3.277 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)C=C2CCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947186080 1333041876 /nfs/dbraw/zinc/04/18/76/1333041876.db2.gz PMBVORVESUKBPX-AUUYWEPGSA-N 1 2 341.430 3.277 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)co2)C[C@H]1C ZINC000947617191 1333193663 /nfs/dbraw/zinc/19/36/63/1333193663.db2.gz WRXLVOOWTLJGAM-CHWSQXEVSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)co2)C[C@H]1C ZINC000947617191 1333193666 /nfs/dbraw/zinc/19/36/66/1333193666.db2.gz WRXLVOOWTLJGAM-CHWSQXEVSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C2CC2)C[C@H]1C ZINC000947635431 1333202525 /nfs/dbraw/zinc/20/25/25/1333202525.db2.gz VLHAMJUDXBTWIN-OCCSQVGLSA-N 1 2 343.309 3.300 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCCCC1(F)F ZINC000948940285 1333741933 /nfs/dbraw/zinc/74/19/33/1333741933.db2.gz GPYTUQUUGYDREO-ROUUACIJSA-N 1 2 346.421 3.161 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCCCC1(F)F ZINC000948940285 1333741936 /nfs/dbraw/zinc/74/19/36/1333741936.db2.gz GPYTUQUUGYDREO-ROUUACIJSA-N 1 2 346.421 3.161 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(CF)cc1 ZINC000948986714 1333760827 /nfs/dbraw/zinc/76/08/27/1333760827.db2.gz PIJGXLBSMILWSH-HXUWFJFHSA-N 1 2 336.410 3.119 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(CF)cc1 ZINC000948986714 1333760829 /nfs/dbraw/zinc/76/08/29/1333760829.db2.gz PIJGXLBSMILWSH-HXUWFJFHSA-N 1 2 336.410 3.119 20 30 EGEDLO C=C1CCC(C(=O)N2CC[NH+](CC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000950046993 1334000785 /nfs/dbraw/zinc/00/07/85/1334000785.db2.gz NJLUUQBXWFFSAX-OAHLLOKOSA-N 1 2 345.314 3.461 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](CCOc2ccc(C)cc2)CC1 ZINC000950051274 1334003275 /nfs/dbraw/zinc/00/32/75/1334003275.db2.gz KIYOGXYVRPSKLP-FQEVSTJZSA-N 1 2 330.472 3.120 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[NH+]([C@@H]3CCc4c3cccc4F)CC2)C1 ZINC000950373192 1334053160 /nfs/dbraw/zinc/05/31/60/1334053160.db2.gz KPLMNOGDCLWKBP-GOSISDBHSA-N 1 2 328.431 3.314 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(-c3cnco3)cc2)C1 ZINC000950635429 1334100256 /nfs/dbraw/zinc/10/02/56/1334100256.db2.gz MYGHKFNYFBGWGQ-UHFFFAOYSA-N 1 2 325.412 3.064 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2c(C)cc(C)nc2C)C1 ZINC000967414557 1335730819 /nfs/dbraw/zinc/73/08/19/1335730819.db2.gz LBMDRMMRBTUQFV-MEDUHNTESA-N 1 2 335.879 3.200 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2c(C)cc(C)nc2C)C1 ZINC000967414557 1335730821 /nfs/dbraw/zinc/73/08/21/1335730821.db2.gz LBMDRMMRBTUQFV-MEDUHNTESA-N 1 2 335.879 3.200 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(F)c2F)C1 ZINC000968063017 1335850938 /nfs/dbraw/zinc/85/09/38/1335850938.db2.gz WDIMIRIIGWAXFG-QMTHXVAHSA-N 1 2 328.790 3.158 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(F)c2F)C1 ZINC000968063017 1335850942 /nfs/dbraw/zinc/85/09/42/1335850942.db2.gz WDIMIRIIGWAXFG-QMTHXVAHSA-N 1 2 328.790 3.158 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(F)c(F)c2F)C1 ZINC000968082447 1335854933 /nfs/dbraw/zinc/85/49/33/1335854933.db2.gz UHEDVBCBVRYJFR-NOZJJQNGSA-N 1 2 346.780 3.297 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(F)c(F)c2F)C1 ZINC000968082447 1335854934 /nfs/dbraw/zinc/85/49/34/1335854934.db2.gz UHEDVBCBVRYJFR-NOZJJQNGSA-N 1 2 346.780 3.297 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2cc(C)ccc2C)C1 ZINC000968177965 1335866927 /nfs/dbraw/zinc/86/69/27/1335866927.db2.gz QYVDUENVDBFNDA-CRAIPNDOSA-N 1 2 334.891 3.425 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2cc(C)ccc2C)C1 ZINC000968177965 1335866928 /nfs/dbraw/zinc/86/69/28/1335866928.db2.gz QYVDUENVDBFNDA-CRAIPNDOSA-N 1 2 334.891 3.425 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2C[N@@H+](Cc3cncc(F)c3)CC[C@@H]2C)CC1 ZINC000968192791 1335868398 /nfs/dbraw/zinc/86/83/98/1335868398.db2.gz SOEQCGABZACPIA-KXBFYZLASA-N 1 2 345.462 3.294 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2C[N@H+](Cc3cncc(F)c3)CC[C@@H]2C)CC1 ZINC000968192791 1335868401 /nfs/dbraw/zinc/86/84/01/1335868401.db2.gz SOEQCGABZACPIA-KXBFYZLASA-N 1 2 345.462 3.294 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3nocc3C)CC[C@H]2C)CC1 ZINC000968211777 1335873072 /nfs/dbraw/zinc/87/30/72/1335873072.db2.gz LKKLQLLKVAXPLL-RHSMWYFYSA-N 1 2 331.460 3.056 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3nocc3C)CC[C@H]2C)CC1 ZINC000968211777 1335873074 /nfs/dbraw/zinc/87/30/74/1335873074.db2.gz LKKLQLLKVAXPLL-RHSMWYFYSA-N 1 2 331.460 3.056 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](Cc3cccc(Cl)n3)CC[C@@H]2C)C1 ZINC000968215100 1335873454 /nfs/dbraw/zinc/87/34/54/1335873454.db2.gz VZLJNDCVCQRTHG-HOCLYGCPSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](Cc3cccc(Cl)n3)CC[C@@H]2C)C1 ZINC000968215100 1335873457 /nfs/dbraw/zinc/87/34/57/1335873457.db2.gz VZLJNDCVCQRTHG-HOCLYGCPSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](Cc3nc(C)sc3C)CC[C@@H]2C)C1 ZINC000968273690 1335882047 /nfs/dbraw/zinc/88/20/47/1335882047.db2.gz IQTLSPONZVNXJD-BBRMVZONSA-N 1 2 347.528 3.443 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](Cc3nc(C)sc3C)CC[C@@H]2C)C1 ZINC000968273690 1335882049 /nfs/dbraw/zinc/88/20/49/1335882049.db2.gz IQTLSPONZVNXJD-BBRMVZONSA-N 1 2 347.528 3.443 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cncc3ccccc32)C1 ZINC000968678267 1336007606 /nfs/dbraw/zinc/00/76/06/1336007606.db2.gz PHMHIXRUIJYYRN-ACJLOTCBSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cncc3ccccc32)C1 ZINC000968678267 1336007610 /nfs/dbraw/zinc/00/76/10/1336007610.db2.gz PHMHIXRUIJYYRN-ACJLOTCBSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2nc(C3CCCC3)no2)C1 ZINC000969570015 1336225185 /nfs/dbraw/zinc/22/51/85/1336225185.db2.gz GWKLEADDYFVVJI-OAHLLOKOSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ncoc2-c2ccccc2)C1 ZINC000969798563 1336248510 /nfs/dbraw/zinc/24/85/10/1336248510.db2.gz SMTPWUHMRQLCJL-ZDUSSCGKSA-N 1 2 345.830 3.144 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC000970365832 1336298769 /nfs/dbraw/zinc/29/87/69/1336298769.db2.gz GKXFBUVDRHZQPA-GFCCVEGCSA-N 1 2 327.255 3.451 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2cc([C@@H](C)CC)no2)CC1 ZINC001006101738 1336452349 /nfs/dbraw/zinc/45/23/49/1336452349.db2.gz CBJNXKPIEPFLCH-LBPRGKRZSA-N 1 2 339.867 3.477 20 30 EGEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)c1ccco1 ZINC001006600383 1336535488 /nfs/dbraw/zinc/53/54/88/1336535488.db2.gz YCKVMCMGAPUMEY-KRWDZBQOSA-N 1 2 342.826 3.179 20 30 EGEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)c1ccco1 ZINC001006600383 1336535492 /nfs/dbraw/zinc/53/54/92/1336535492.db2.gz YCKVMCMGAPUMEY-KRWDZBQOSA-N 1 2 342.826 3.179 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CC3CCCC3)C2)c(F)c1 ZINC001006636462 1336544736 /nfs/dbraw/zinc/54/47/36/1336544736.db2.gz HTJMKCVBHHGJFF-GOSISDBHSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CC3CCCC3)C2)c(F)c1 ZINC001006636462 1336544737 /nfs/dbraw/zinc/54/47/37/1336544737.db2.gz HTJMKCVBHHGJFF-GOSISDBHSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](NC(=O)CC3CCCC3)C2)c1 ZINC001006640364 1336545766 /nfs/dbraw/zinc/54/57/66/1336545766.db2.gz UTLZLSLOHGALLY-SFHVURJKSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](NC(=O)CC3CCCC3)C2)c1 ZINC001006640364 1336545768 /nfs/dbraw/zinc/54/57/68/1336545768.db2.gz UTLZLSLOHGALLY-SFHVURJKSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccsc3)C2)c(F)c1 ZINC001006674729 1336554292 /nfs/dbraw/zinc/55/42/92/1336554292.db2.gz BDIGOAHEDYWTHA-INIZCTEOSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3ccsc3)C2)c(F)c1 ZINC001006674729 1336554293 /nfs/dbraw/zinc/55/42/93/1336554293.db2.gz BDIGOAHEDYWTHA-INIZCTEOSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3ccc(Cl)o3)C2)s1 ZINC001006750222 1336570838 /nfs/dbraw/zinc/57/08/38/1336570838.db2.gz JZDHVYRKFNOGDZ-NSHDSACASA-N 1 2 349.843 3.261 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccc(Cl)o3)C2)s1 ZINC001006750222 1336570840 /nfs/dbraw/zinc/57/08/40/1336570840.db2.gz JZDHVYRKFNOGDZ-NSHDSACASA-N 1 2 349.843 3.261 20 30 EGEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)c1ccc(Cl)o1 ZINC001006749107 1336570943 /nfs/dbraw/zinc/57/09/43/1336570943.db2.gz GWRXRRROWSJKKF-INIZCTEOSA-N 1 2 342.826 3.179 20 30 EGEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1ccc(Cl)o1 ZINC001006749107 1336570946 /nfs/dbraw/zinc/57/09/46/1336570946.db2.gz GWRXRRROWSJKKF-INIZCTEOSA-N 1 2 342.826 3.179 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)o1 ZINC001007057673 1336635530 /nfs/dbraw/zinc/63/55/30/1336635530.db2.gz OPJPXJHOMWUIOR-CQSZACIVSA-N 1 2 343.452 3.224 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)o1 ZINC001007057673 1336635531 /nfs/dbraw/zinc/63/55/31/1336635531.db2.gz OPJPXJHOMWUIOR-CQSZACIVSA-N 1 2 343.452 3.224 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001007083321 1336640331 /nfs/dbraw/zinc/64/03/31/1336640331.db2.gz IVYIQOGALGWFTG-SFHVURJKSA-N 1 2 341.430 3.436 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001007083321 1336640334 /nfs/dbraw/zinc/64/03/34/1336640334.db2.gz IVYIQOGALGWFTG-SFHVURJKSA-N 1 2 341.430 3.436 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1)C1CCC1 ZINC001007593367 1336673447 /nfs/dbraw/zinc/67/34/47/1336673447.db2.gz FESYPJMPVXNJSZ-RDTXWAMCSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1)C1CCC1 ZINC001007593367 1336673451 /nfs/dbraw/zinc/67/34/51/1336673451.db2.gz FESYPJMPVXNJSZ-RDTXWAMCSA-N 1 2 343.446 3.214 20 30 EGEDLO C=CCOc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(=C)Cl)C2)cc1 ZINC001007667758 1336686594 /nfs/dbraw/zinc/68/65/94/1336686594.db2.gz FLYSXOFQIYBOOF-INIZCTEOSA-N 1 2 334.847 3.198 20 30 EGEDLO C=CCOc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=C)Cl)C2)cc1 ZINC001007667758 1336686595 /nfs/dbraw/zinc/68/65/95/1336686595.db2.gz FLYSXOFQIYBOOF-INIZCTEOSA-N 1 2 334.847 3.198 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)C3(F)CCCC3)C2)ccc1F ZINC001007710885 1336689838 /nfs/dbraw/zinc/68/98/38/1336689838.db2.gz HBADZKBPSTUDBY-MRXNPFEDSA-N 1 2 347.409 3.060 20 30 EGEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)C3(F)CCCC3)C2)ccc1F ZINC001007710885 1336689840 /nfs/dbraw/zinc/68/98/40/1336689840.db2.gz HBADZKBPSTUDBY-MRXNPFEDSA-N 1 2 347.409 3.060 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2cccc3ncccc23)C1 ZINC001007923553 1336733465 /nfs/dbraw/zinc/73/34/65/1336733465.db2.gz ZUSGIWGELDJRTP-INIZCTEOSA-N 1 2 343.858 3.110 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2cccc3ncccc23)C1 ZINC001007923553 1336733468 /nfs/dbraw/zinc/73/34/68/1336733468.db2.gz ZUSGIWGELDJRTP-INIZCTEOSA-N 1 2 343.858 3.110 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2cccc(C3CC3)c2)C1 ZINC001008045200 1336757896 /nfs/dbraw/zinc/75/78/96/1336757896.db2.gz KFMSTJKKZGGBPL-SFHVURJKSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2cccc(C3CC3)c2)C1 ZINC001008045200 1336757898 /nfs/dbraw/zinc/75/78/98/1336757898.db2.gz KFMSTJKKZGGBPL-SFHVURJKSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2cc3ccccc3o2)C1 ZINC001008121302 1336774430 /nfs/dbraw/zinc/77/44/30/1336774430.db2.gz ILUJJIGMIXMURU-HNNXBMFYSA-N 1 2 332.831 3.308 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2cc3ccccc3o2)C1 ZINC001008121302 1336774432 /nfs/dbraw/zinc/77/44/32/1336774432.db2.gz ILUJJIGMIXMURU-HNNXBMFYSA-N 1 2 332.831 3.308 20 30 EGEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)c1ccoc1C1CC1 ZINC001008318293 1336821471 /nfs/dbraw/zinc/82/14/71/1336821471.db2.gz WDXWSSGBLZUHNC-IBGZPJMESA-N 1 2 348.446 3.403 20 30 EGEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1ccoc1C1CC1 ZINC001008318293 1336821472 /nfs/dbraw/zinc/82/14/72/1336821472.db2.gz WDXWSSGBLZUHNC-IBGZPJMESA-N 1 2 348.446 3.403 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](Cc3nc(C)oc3C)C2)CC1 ZINC001008417052 1336846886 /nfs/dbraw/zinc/84/68/86/1336846886.db2.gz HFFYPZVEHQPQQM-QGZVFWFLSA-N 1 2 331.460 3.118 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](Cc3nc(C)oc3C)C2)CC1 ZINC001008417052 1336846890 /nfs/dbraw/zinc/84/68/90/1336846890.db2.gz HFFYPZVEHQPQQM-QGZVFWFLSA-N 1 2 331.460 3.118 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc(OCC)c(C)c2)C1 ZINC001008729237 1336918019 /nfs/dbraw/zinc/91/80/19/1336918019.db2.gz VXYLFJHNZSZXIN-INIZCTEOSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(OCC)c(C)c2)C1 ZINC001008729237 1336918022 /nfs/dbraw/zinc/91/80/22/1336918022.db2.gz VXYLFJHNZSZXIN-INIZCTEOSA-N 1 2 336.863 3.340 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(c3cccc(F)c3)CC2)C1 ZINC001008743855 1336918606 /nfs/dbraw/zinc/91/86/06/1336918606.db2.gz BTWGZUCITLAXBV-MRXNPFEDSA-N 1 2 336.838 3.190 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(c3cccc(F)c3)CC2)C1 ZINC001008743855 1336918610 /nfs/dbraw/zinc/91/86/10/1336918610.db2.gz BTWGZUCITLAXBV-MRXNPFEDSA-N 1 2 336.838 3.190 20 30 EGEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3cc(C)ccc3s2)C1 ZINC001009045532 1336959678 /nfs/dbraw/zinc/95/96/78/1336959678.db2.gz NGBRIMGEDFYEKN-INIZCTEOSA-N 1 2 326.465 3.427 20 30 EGEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cc3cc(C)ccc3s2)C1 ZINC001009045532 1336959680 /nfs/dbraw/zinc/95/96/80/1336959680.db2.gz NGBRIMGEDFYEKN-INIZCTEOSA-N 1 2 326.465 3.427 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[C@H]2OCCc3ccccc32)C1 ZINC001009262833 1336992952 /nfs/dbraw/zinc/99/29/52/1336992952.db2.gz JMBQACTZOQDFKM-FUHWJXTLSA-N 1 2 348.874 3.024 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[C@H]2OCCc3ccccc32)C1 ZINC001009262833 1336992955 /nfs/dbraw/zinc/99/29/55/1336992955.db2.gz JMBQACTZOQDFKM-FUHWJXTLSA-N 1 2 348.874 3.024 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2c(F)cccc2Cl)C1 ZINC001009310627 1337003628 /nfs/dbraw/zinc/00/36/28/1337003628.db2.gz FAXJQBFDDAUIEZ-GFCCVEGCSA-N 1 2 345.245 3.355 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2c(F)cccc2Cl)C1 ZINC001009310627 1337003630 /nfs/dbraw/zinc/00/36/30/1337003630.db2.gz FAXJQBFDDAUIEZ-GFCCVEGCSA-N 1 2 345.245 3.355 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2sc(C)cc2C)C1 ZINC001009355645 1337009822 /nfs/dbraw/zinc/00/98/22/1337009822.db2.gz DGBMKZMEUYXCAP-CQSZACIVSA-N 1 2 326.893 3.241 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2sc(C)cc2C)C1 ZINC001009355645 1337009824 /nfs/dbraw/zinc/00/98/24/1337009824.db2.gz DGBMKZMEUYXCAP-CQSZACIVSA-N 1 2 326.893 3.241 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC001009745514 1337068341 /nfs/dbraw/zinc/06/83/41/1337068341.db2.gz UANHBXFXIOFWAQ-CYBMUJFWSA-N 1 2 335.810 3.254 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC001009745514 1337068344 /nfs/dbraw/zinc/06/83/44/1337068344.db2.gz UANHBXFXIOFWAQ-CYBMUJFWSA-N 1 2 335.810 3.254 20 30 EGEDLO Cc1ccsc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001009914181 1337108993 /nfs/dbraw/zinc/10/89/93/1337108993.db2.gz WYMMMYWQGMIVQJ-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1ccsc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001009914181 1337108994 /nfs/dbraw/zinc/10/89/94/1337108994.db2.gz WYMMMYWQGMIVQJ-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C3CCCCC3)n[nH]2)C1 ZINC001014758948 1337900893 /nfs/dbraw/zinc/90/08/93/1337900893.db2.gz YRYXVWOZLJGNDK-CQSZACIVSA-N 1 2 336.867 3.014 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(C3CCCCC3)n[nH]2)C1 ZINC001014758948 1337900898 /nfs/dbraw/zinc/90/08/98/1337900898.db2.gz YRYXVWOZLJGNDK-CQSZACIVSA-N 1 2 336.867 3.014 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnc3ccccc3c2C)C1 ZINC001015313186 1338095710 /nfs/dbraw/zinc/09/57/10/1338095710.db2.gz KKBVEVYTHVIIHR-AWEZNQCLSA-N 1 2 329.831 3.100 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnc3ccccc3c2C)C1 ZINC001015313186 1338095712 /nfs/dbraw/zinc/09/57/12/1338095712.db2.gz KKBVEVYTHVIIHR-AWEZNQCLSA-N 1 2 329.831 3.100 20 30 EGEDLO CC(C)c1ccoc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001015601092 1338202404 /nfs/dbraw/zinc/20/24/04/1338202404.db2.gz KWKIGBCPXNOZNE-ZDUSSCGKSA-N 1 2 343.452 3.340 20 30 EGEDLO CC(C)c1ccoc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001015601092 1338202408 /nfs/dbraw/zinc/20/24/08/1338202408.db2.gz KWKIGBCPXNOZNE-ZDUSSCGKSA-N 1 2 343.452 3.340 20 30 EGEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ccoc1C1CC1 ZINC001015612337 1338208032 /nfs/dbraw/zinc/20/80/32/1338208032.db2.gz VVXVZRFGEGKXCH-GOSISDBHSA-N 1 2 334.419 3.013 20 30 EGEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ccoc1C1CC1 ZINC001015612337 1338208036 /nfs/dbraw/zinc/20/80/36/1338208036.db2.gz VVXVZRFGEGKXCH-GOSISDBHSA-N 1 2 334.419 3.013 20 30 EGEDLO CC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)CCCCC1 ZINC001015650672 1338230012 /nfs/dbraw/zinc/23/00/12/1338230012.db2.gz VCAQEULHMVSAFN-GOSISDBHSA-N 1 2 325.456 3.219 20 30 EGEDLO CC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CCCCC1 ZINC001015650672 1338230017 /nfs/dbraw/zinc/23/00/17/1338230017.db2.gz VCAQEULHMVSAFN-GOSISDBHSA-N 1 2 325.456 3.219 20 30 EGEDLO CC(C)c1ccc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)nc1 ZINC001015704496 1338269524 /nfs/dbraw/zinc/26/95/24/1338269524.db2.gz CLLOQOLGVJYEQA-FQEVSTJZSA-N 1 2 347.462 3.061 20 30 EGEDLO CC(C)c1ccc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)nc1 ZINC001015704496 1338269527 /nfs/dbraw/zinc/26/95/27/1338269527.db2.gz CLLOQOLGVJYEQA-FQEVSTJZSA-N 1 2 347.462 3.061 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(O[C@H](C)CC)cc2)C1 ZINC001015953912 1338375704 /nfs/dbraw/zinc/37/57/04/1338375704.db2.gz JSEAHOCLXAVGSS-GDBMZVCRSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(O[C@H](C)CC)cc2)C1 ZINC001015953912 1338375706 /nfs/dbraw/zinc/37/57/06/1338375706.db2.gz JSEAHOCLXAVGSS-GDBMZVCRSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC001016058994 1338435465 /nfs/dbraw/zinc/43/54/65/1338435465.db2.gz SEXMAGVLQLRVTN-IRXDYDNUSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC001016058994 1338435466 /nfs/dbraw/zinc/43/54/66/1338435466.db2.gz SEXMAGVLQLRVTN-IRXDYDNUSA-N 1 2 332.875 3.440 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001016074717 1338446150 /nfs/dbraw/zinc/44/61/50/1338446150.db2.gz KLQRZBAQKXTTIG-GOSISDBHSA-N 1 2 339.826 3.216 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001016074717 1338446151 /nfs/dbraw/zinc/44/61/51/1338446151.db2.gz KLQRZBAQKXTTIG-GOSISDBHSA-N 1 2 339.826 3.216 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC2C3CC4CC(C3)CC2C4)C1 ZINC001016309795 1338542361 /nfs/dbraw/zinc/54/23/61/1338542361.db2.gz LHUGMDMRYUFKDO-NFSPANSCSA-N 1 2 336.907 3.392 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC2C3CC4CC(C3)CC2C4)C1 ZINC001016309795 1338542365 /nfs/dbraw/zinc/54/23/65/1338542365.db2.gz LHUGMDMRYUFKDO-NFSPANSCSA-N 1 2 336.907 3.392 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001017665086 1339387561 /nfs/dbraw/zinc/38/75/61/1339387561.db2.gz MZYICAVFVPBCPP-QXSJWSMHSA-N 1 2 342.405 3.054 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001017665086 1339387562 /nfs/dbraw/zinc/38/75/62/1339387562.db2.gz MZYICAVFVPBCPP-QXSJWSMHSA-N 1 2 342.405 3.054 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCCc2ccccc21 ZINC001018315491 1339573283 /nfs/dbraw/zinc/57/32/83/1339573283.db2.gz DHBRYQLQUJKJMM-SVFBPWRDSA-N 1 2 336.479 3.195 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCCc2ccccc21 ZINC001018315491 1339573285 /nfs/dbraw/zinc/57/32/85/1339573285.db2.gz DHBRYQLQUJKJMM-SVFBPWRDSA-N 1 2 336.479 3.195 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC001018343291 1339585426 /nfs/dbraw/zinc/58/54/26/1339585426.db2.gz UOOXWCGVTIRKKH-ZYSHUDEJSA-N 1 2 344.886 3.217 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC001018343291 1339585428 /nfs/dbraw/zinc/58/54/28/1339585428.db2.gz UOOXWCGVTIRKKH-ZYSHUDEJSA-N 1 2 344.886 3.217 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@H+]2Cc2ncc(CC)o2)CC1 ZINC001028114437 1340436007 /nfs/dbraw/zinc/43/60/07/1340436007.db2.gz HEILRPONMIVYCD-MRXNPFEDSA-N 1 2 331.460 3.064 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ncc(CC)o2)CC1 ZINC001028114437 1340436009 /nfs/dbraw/zinc/43/60/09/1340436009.db2.gz HEILRPONMIVYCD-MRXNPFEDSA-N 1 2 331.460 3.064 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc(F)c1Cl ZINC001028163133 1340460484 /nfs/dbraw/zinc/46/04/84/1340460484.db2.gz AWCZEWIUAYCXHQ-NSHDSACASA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(F)c1Cl ZINC001028163133 1340460486 /nfs/dbraw/zinc/46/04/86/1340460486.db2.gz AWCZEWIUAYCXHQ-NSHDSACASA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1F ZINC001028190813 1340476800 /nfs/dbraw/zinc/47/68/00/1340476800.db2.gz BSQVOQAJMPZJNE-VNQPRFMTSA-N 1 2 336.838 3.262 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1F ZINC001028190813 1340476802 /nfs/dbraw/zinc/47/68/02/1340476802.db2.gz BSQVOQAJMPZJNE-VNQPRFMTSA-N 1 2 336.838 3.262 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnoc1-c1ccccc1 ZINC001028237369 1340499145 /nfs/dbraw/zinc/49/91/45/1340499145.db2.gz SFTWPUZLZKXKMD-HNNXBMFYSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnoc1-c1ccccc1 ZINC001028237369 1340499147 /nfs/dbraw/zinc/49/91/47/1340499147.db2.gz SFTWPUZLZKXKMD-HNNXBMFYSA-N 1 2 345.830 3.288 20 30 EGEDLO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)c(C)o1 ZINC001029207830 1340954635 /nfs/dbraw/zinc/95/46/35/1340954635.db2.gz KMCGNUYTOWKIFL-BGYRXZFFSA-N 1 2 348.446 3.237 20 30 EGEDLO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)c(C)o1 ZINC001029207830 1340954636 /nfs/dbraw/zinc/95/46/36/1340954636.db2.gz KMCGNUYTOWKIFL-BGYRXZFFSA-N 1 2 348.446 3.237 20 30 EGEDLO O=C(C[C@H]1C=CCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029206788 1340954648 /nfs/dbraw/zinc/95/46/48/1340954648.db2.gz XRXHIGJWRMJLMO-PCCBWWKXSA-N 1 2 334.463 3.070 20 30 EGEDLO O=C(C[C@H]1C=CCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029206788 1340954649 /nfs/dbraw/zinc/95/46/49/1340954649.db2.gz XRXHIGJWRMJLMO-PCCBWWKXSA-N 1 2 334.463 3.070 20 30 EGEDLO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccc(C#N)c2)oc1C ZINC001029271172 1340965226 /nfs/dbraw/zinc/96/52/26/1340965226.db2.gz FDIALBICTWEXHW-KDURUIRLSA-N 1 2 349.434 3.257 20 30 EGEDLO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccc(C#N)c2)oc1C ZINC001029271172 1340965228 /nfs/dbraw/zinc/96/52/28/1340965228.db2.gz FDIALBICTWEXHW-KDURUIRLSA-N 1 2 349.434 3.257 20 30 EGEDLO Cc1coc(C)c1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029294143 1340968060 /nfs/dbraw/zinc/96/80/60/1340968060.db2.gz OAKWHYKIMLDLFL-BGYRXZFFSA-N 1 2 348.446 3.237 20 30 EGEDLO Cc1coc(C)c1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029294143 1340968061 /nfs/dbraw/zinc/96/80/61/1340968061.db2.gz OAKWHYKIMLDLFL-BGYRXZFFSA-N 1 2 348.446 3.237 20 30 EGEDLO C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)CC=CCC1 ZINC001029321792 1340971649 /nfs/dbraw/zinc/97/16/49/1340971649.db2.gz SGRRHWAKNZDPQK-XJUOHMSHSA-N 1 2 348.490 3.460 20 30 EGEDLO C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)CC=CCC1 ZINC001029321792 1340971650 /nfs/dbraw/zinc/97/16/50/1340971650.db2.gz SGRRHWAKNZDPQK-XJUOHMSHSA-N 1 2 348.490 3.460 20 30 EGEDLO O=C(C[C@@H]1CC[C@H]2C[C@H]21)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029371758 1340979725 /nfs/dbraw/zinc/97/97/25/1340979725.db2.gz NKCWUINRPVQAFZ-RTOMLYRKSA-N 1 2 348.490 3.150 20 30 EGEDLO O=C(C[C@@H]1CC[C@H]2C[C@H]21)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029371758 1340979726 /nfs/dbraw/zinc/97/97/26/1340979726.db2.gz NKCWUINRPVQAFZ-RTOMLYRKSA-N 1 2 348.490 3.150 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1oc(C(C)C)nc1C ZINC001029423346 1340986658 /nfs/dbraw/zinc/98/66/58/1340986658.db2.gz XEGILRAODJDAQC-IYBDPMFKSA-N 1 2 345.487 3.494 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1oc(C(C)C)nc1C ZINC001029423346 1340986659 /nfs/dbraw/zinc/98/66/59/1340986659.db2.gz XEGILRAODJDAQC-IYBDPMFKSA-N 1 2 345.487 3.494 20 30 EGEDLO CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(F)cc1 ZINC001029450303 1340992534 /nfs/dbraw/zinc/99/25/34/1340992534.db2.gz CVENYJBEMCMLSN-KDURUIRLSA-N 1 2 342.458 3.289 20 30 EGEDLO CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001029450303 1340992535 /nfs/dbraw/zinc/99/25/35/1340992535.db2.gz CVENYJBEMCMLSN-KDURUIRLSA-N 1 2 342.458 3.289 20 30 EGEDLO CC(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029535497 1341007421 /nfs/dbraw/zinc/00/74/21/1341007421.db2.gz XEZYUGYKFBIRRZ-IHETXDGRSA-N 1 2 343.496 3.087 20 30 EGEDLO CC(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029535497 1341007422 /nfs/dbraw/zinc/00/74/22/1341007422.db2.gz XEZYUGYKFBIRRZ-IHETXDGRSA-N 1 2 343.496 3.087 20 30 EGEDLO C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1)C1CC1 ZINC001029600056 1341019330 /nfs/dbraw/zinc/01/93/30/1341019330.db2.gz SQEIRSNIEZQZQJ-BMFZPTHFSA-N 1 2 343.496 3.231 20 30 EGEDLO C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1)C1CC1 ZINC001029600056 1341019331 /nfs/dbraw/zinc/01/93/31/1341019331.db2.gz SQEIRSNIEZQZQJ-BMFZPTHFSA-N 1 2 343.496 3.231 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC(C[N@H+](C)[C@@H](C)c2noc(C)n2)CC1 ZINC001029990369 1341148407 /nfs/dbraw/zinc/14/84/07/1341148407.db2.gz KFLAFQVZFJYYBT-LIRRHRJNSA-N 1 2 348.491 3.212 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC(C[N@@H+](C)[C@@H](C)c2noc(C)n2)CC1 ZINC001029990369 1341148408 /nfs/dbraw/zinc/14/84/08/1341148408.db2.gz KFLAFQVZFJYYBT-LIRRHRJNSA-N 1 2 348.491 3.212 20 30 EGEDLO C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1)C(C)(C)C ZINC001032476145 1341518689 /nfs/dbraw/zinc/51/86/89/1341518689.db2.gz AYZBRMRDDTVLSD-JLSDUUJJSA-N 1 2 325.456 3.026 20 30 EGEDLO C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1)C(C)(C)C ZINC001032476145 1341518690 /nfs/dbraw/zinc/51/86/90/1341518690.db2.gz AYZBRMRDDTVLSD-JLSDUUJJSA-N 1 2 325.456 3.026 20 30 EGEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)c1 ZINC001032534868 1341534075 /nfs/dbraw/zinc/53/40/75/1341534075.db2.gz KGPGCAFFZXFLTN-UQVNRYHBSA-N 1 2 349.478 3.170 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)c1 ZINC001032534868 1341534079 /nfs/dbraw/zinc/53/40/79/1341534079.db2.gz KGPGCAFFZXFLTN-UQVNRYHBSA-N 1 2 349.478 3.170 20 30 EGEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H](C)c2ccccc2F)cc1 ZINC001032555218 1341539089 /nfs/dbraw/zinc/53/90/89/1341539089.db2.gz DOUZWPXQEFEIKR-SNRMKQJTSA-N 1 2 348.421 3.467 20 30 EGEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H](C)c2ccccc2F)cc1 ZINC001032555218 1341539091 /nfs/dbraw/zinc/53/90/91/1341539091.db2.gz DOUZWPXQEFEIKR-SNRMKQJTSA-N 1 2 348.421 3.467 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C(C)C)n2)C1 ZINC001032617804 1341561315 /nfs/dbraw/zinc/56/13/15/1341561315.db2.gz UDCSHCRIDQTMAF-ROUUACIJSA-N 1 2 339.483 3.346 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C(C)C)n2)C1 ZINC001032617804 1341561317 /nfs/dbraw/zinc/56/13/17/1341561317.db2.gz UDCSHCRIDQTMAF-ROUUACIJSA-N 1 2 339.483 3.346 20 30 EGEDLO CN(C(=O)C=C1CCC1)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001032996391 1341690288 /nfs/dbraw/zinc/69/02/88/1341690288.db2.gz KRXXYJQFYJNFJP-SFHVURJKSA-N 1 2 342.870 3.335 20 30 EGEDLO CN(C(=O)C=C1CCC1)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001032996391 1341690289 /nfs/dbraw/zinc/69/02/89/1341690289.db2.gz KRXXYJQFYJNFJP-SFHVURJKSA-N 1 2 342.870 3.335 20 30 EGEDLO CN(C(=O)C1(F)CCCC1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033215280 1341755008 /nfs/dbraw/zinc/75/50/08/1341755008.db2.gz UKMUEBZQDLQXKM-MRXNPFEDSA-N 1 2 347.409 3.012 20 30 EGEDLO CN(C(=O)C1(F)CCCC1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033215280 1341755010 /nfs/dbraw/zinc/75/50/10/1341755010.db2.gz UKMUEBZQDLQXKM-MRXNPFEDSA-N 1 2 347.409 3.012 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)cc2OC)C1 ZINC001033371885 1341799925 /nfs/dbraw/zinc/79/99/25/1341799925.db2.gz BWEPSTDBDOPJQH-ZDUSSCGKSA-N 1 2 343.254 3.247 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)cc2OC)C1 ZINC001033371885 1341799926 /nfs/dbraw/zinc/79/99/26/1341799926.db2.gz BWEPSTDBDOPJQH-ZDUSSCGKSA-N 1 2 343.254 3.247 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2cn(C)c3ccccc23)C1 ZINC001033374855 1341801797 /nfs/dbraw/zinc/80/17/97/1341801797.db2.gz ZUPAELRMXNZGKS-INIZCTEOSA-N 1 2 345.874 3.006 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2cn(C)c3ccccc23)C1 ZINC001033374855 1341801799 /nfs/dbraw/zinc/80/17/99/1341801799.db2.gz ZUPAELRMXNZGKS-INIZCTEOSA-N 1 2 345.874 3.006 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@H+](Cc3nc(C)cs3)C2)CC1 ZINC001033389110 1341808340 /nfs/dbraw/zinc/80/83/40/1341808340.db2.gz IYSSBCRVJIZLPW-MRXNPFEDSA-N 1 2 333.501 3.231 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3nc(C)cs3)C2)CC1 ZINC001033389110 1341808341 /nfs/dbraw/zinc/80/83/41/1341808341.db2.gz IYSSBCRVJIZLPW-MRXNPFEDSA-N 1 2 333.501 3.231 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001033517864 1341855427 /nfs/dbraw/zinc/85/54/27/1341855427.db2.gz IMXAALFJZKFSKJ-IRXDYDNUSA-N 1 2 332.875 3.392 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001033517864 1341855428 /nfs/dbraw/zinc/85/54/28/1341855428.db2.gz IMXAALFJZKFSKJ-IRXDYDNUSA-N 1 2 332.875 3.392 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC001033607024 1341897177 /nfs/dbraw/zinc/89/71/77/1341897177.db2.gz SZISRZFVMQABRM-YMVOSSCXSA-N 1 2 336.907 3.488 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC001033607024 1341897182 /nfs/dbraw/zinc/89/71/82/1341897182.db2.gz SZISRZFVMQABRM-YMVOSSCXSA-N 1 2 336.907 3.488 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@]2(C)CCc3ccccc3C2)C1 ZINC001033714322 1341972667 /nfs/dbraw/zinc/97/26/67/1341972667.db2.gz PKWCKYVRJVGILV-ICSRJNTNSA-N 1 2 346.902 3.467 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(C)CCc3ccccc3C2)C1 ZINC001033714322 1341972668 /nfs/dbraw/zinc/97/26/68/1341972668.db2.gz PKWCKYVRJVGILV-ICSRJNTNSA-N 1 2 346.902 3.467 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2coc(C(C)(C)C)n2)C1 ZINC001033835160 1342035318 /nfs/dbraw/zinc/03/53/18/1342035318.db2.gz HVUVHNDLVXTBLO-CYBMUJFWSA-N 1 2 339.867 3.261 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2coc(C(C)(C)C)n2)C1 ZINC001033835160 1342035322 /nfs/dbraw/zinc/03/53/22/1342035322.db2.gz HVUVHNDLVXTBLO-CYBMUJFWSA-N 1 2 339.867 3.261 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccnn2[C@H](C)CC)C1 ZINC001033848873 1342043531 /nfs/dbraw/zinc/04/35/31/1342043531.db2.gz GJNAFDXHGGIZAZ-CABCVRRESA-N 1 2 338.883 3.143 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccnn2[C@H](C)CC)C1 ZINC001033848873 1342043534 /nfs/dbraw/zinc/04/35/34/1342043534.db2.gz GJNAFDXHGGIZAZ-CABCVRRESA-N 1 2 338.883 3.143 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccnc(C3CC3)c2)C1 ZINC001033886100 1342059617 /nfs/dbraw/zinc/05/96/17/1342059617.db2.gz DYBLLFNEKSAWSZ-INIZCTEOSA-N 1 2 333.863 3.248 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccnc(C3CC3)c2)C1 ZINC001033886100 1342059622 /nfs/dbraw/zinc/05/96/22/1342059622.db2.gz DYBLLFNEKSAWSZ-INIZCTEOSA-N 1 2 333.863 3.248 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc(OCC)c2)C1 ZINC001033966999 1342118266 /nfs/dbraw/zinc/11/82/66/1342118266.db2.gz CWBHZZQHBFSTDD-MRXNPFEDSA-N 1 2 336.863 3.374 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(OCC)c2)C1 ZINC001033966999 1342118267 /nfs/dbraw/zinc/11/82/67/1342118267.db2.gz CWBHZZQHBFSTDD-MRXNPFEDSA-N 1 2 336.863 3.374 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(OC)c(C)c2)C1 ZINC001033991962 1342135067 /nfs/dbraw/zinc/13/50/67/1342135067.db2.gz NRGNVCWQZBDEIG-MRXNPFEDSA-N 1 2 336.863 3.293 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(OC)c(C)c2)C1 ZINC001033991962 1342135072 /nfs/dbraw/zinc/13/50/72/1342135072.db2.gz NRGNVCWQZBDEIG-MRXNPFEDSA-N 1 2 336.863 3.293 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2csc(C3CC3)n2)C1 ZINC001034051589 1342194178 /nfs/dbraw/zinc/19/41/78/1342194178.db2.gz VSVLCOBVMJTEDB-CYBMUJFWSA-N 1 2 339.892 3.309 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2csc(C3CC3)n2)C1 ZINC001034051589 1342194183 /nfs/dbraw/zinc/19/41/83/1342194183.db2.gz VSVLCOBVMJTEDB-CYBMUJFWSA-N 1 2 339.892 3.309 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H](NC(=O)c3ccoc3)C2)c1 ZINC001034106652 1342243408 /nfs/dbraw/zinc/24/34/08/1342243408.db2.gz NMZQUPZAEORGEB-QGZVFWFLSA-N 1 2 341.386 3.075 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@@H](NC(=O)c3ccoc3)C2)c1 ZINC001034106652 1342243410 /nfs/dbraw/zinc/24/34/10/1342243410.db2.gz NMZQUPZAEORGEB-QGZVFWFLSA-N 1 2 341.386 3.075 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cc3c(o2)CCCC3)C1 ZINC001034238920 1342340474 /nfs/dbraw/zinc/34/04/74/1342340474.db2.gz OQAQENJANNFIGN-HNNXBMFYSA-N 1 2 336.863 3.495 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cc3c(o2)CCCC3)C1 ZINC001034238920 1342340475 /nfs/dbraw/zinc/34/04/75/1342340475.db2.gz OQAQENJANNFIGN-HNNXBMFYSA-N 1 2 336.863 3.495 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cnoc2-c2ccco2)C1 ZINC001034274159 1342366306 /nfs/dbraw/zinc/36/63/06/1342366306.db2.gz KHRADIIXEXSTDU-ZDUSSCGKSA-N 1 2 349.818 3.271 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cnoc2-c2ccco2)C1 ZINC001034274159 1342366315 /nfs/dbraw/zinc/36/63/15/1342366315.db2.gz KHRADIIXEXSTDU-ZDUSSCGKSA-N 1 2 349.818 3.271 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(OC)cc2F)C1 ZINC001034294724 1342378237 /nfs/dbraw/zinc/37/82/37/1342378237.db2.gz CVCUIARHSSDSIJ-ZDUSSCGKSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(OC)cc2F)C1 ZINC001034294724 1342378241 /nfs/dbraw/zinc/37/82/41/1342378241.db2.gz CVCUIARHSSDSIJ-ZDUSSCGKSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(C(C)(C)C)on2)C1 ZINC001034304993 1342387867 /nfs/dbraw/zinc/38/78/67/1342387867.db2.gz BSMZGAMKXTVMNH-CYBMUJFWSA-N 1 2 339.867 3.309 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C(C)(C)C)on2)C1 ZINC001034304993 1342387870 /nfs/dbraw/zinc/38/78/70/1342387870.db2.gz BSMZGAMKXTVMNH-CYBMUJFWSA-N 1 2 339.867 3.309 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2c(C)cc(C)nc2C)C1 ZINC001034321603 1342398471 /nfs/dbraw/zinc/39/84/71/1342398471.db2.gz WDYQJEIMQZBDJH-INIZCTEOSA-N 1 2 335.879 3.344 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2c(C)cc(C)nc2C)C1 ZINC001034321603 1342398472 /nfs/dbraw/zinc/39/84/72/1342398472.db2.gz WDYQJEIMQZBDJH-INIZCTEOSA-N 1 2 335.879 3.344 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(F)ccc2OC)C1 ZINC001034338924 1342412990 /nfs/dbraw/zinc/41/29/90/1342412990.db2.gz RGKHJWBTQVWPAS-CQSZACIVSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(F)ccc2OC)C1 ZINC001034338924 1342412991 /nfs/dbraw/zinc/41/29/91/1342412991.db2.gz RGKHJWBTQVWPAS-CQSZACIVSA-N 1 2 340.826 3.171 20 30 EGEDLO CC1(C(=O)N[C@@H]2CCCC[N@H+](Cc3cc(F)ccc3C#N)C2)CCC1 ZINC001034350357 1342419899 /nfs/dbraw/zinc/41/98/99/1342419899.db2.gz CWLHBPNSMBGYGT-GOSISDBHSA-N 1 2 343.446 3.358 20 30 EGEDLO CC1(C(=O)N[C@@H]2CCCC[N@@H+](Cc3cc(F)ccc3C#N)C2)CCC1 ZINC001034350357 1342419902 /nfs/dbraw/zinc/41/99/02/1342419902.db2.gz CWLHBPNSMBGYGT-GOSISDBHSA-N 1 2 343.446 3.358 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@@H+]([C@H](C)c3nc(C)no3)C2)CC1 ZINC001034383136 1342451827 /nfs/dbraw/zinc/45/18/27/1342451827.db2.gz WFQMRGUAOPJFSD-RHSMWYFYSA-N 1 2 346.475 3.156 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@H+]([C@H](C)c3nc(C)no3)C2)CC1 ZINC001034383136 1342451830 /nfs/dbraw/zinc/45/18/30/1342451830.db2.gz WFQMRGUAOPJFSD-RHSMWYFYSA-N 1 2 346.475 3.156 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001034391127 1342460185 /nfs/dbraw/zinc/46/01/85/1342460185.db2.gz VURIOAGFZASCTR-RBSFLKMASA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001034391127 1342460190 /nfs/dbraw/zinc/46/01/90/1342460190.db2.gz VURIOAGFZASCTR-RBSFLKMASA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3ccccc3O2)C1 ZINC001034446602 1342507119 /nfs/dbraw/zinc/50/71/19/1342507119.db2.gz UXXMAOJQKLFBJL-AEFFLSMTSA-N 1 2 348.874 3.103 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3ccccc3O2)C1 ZINC001034446602 1342507120 /nfs/dbraw/zinc/50/71/20/1342507120.db2.gz UXXMAOJQKLFBJL-AEFFLSMTSA-N 1 2 348.874 3.103 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC001034476361 1342531596 /nfs/dbraw/zinc/53/15/96/1342531596.db2.gz CJFCQGFTVQCWRA-CQSZACIVSA-N 1 2 338.883 3.178 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC001034476361 1342531601 /nfs/dbraw/zinc/53/16/01/1342531601.db2.gz CJFCQGFTVQCWRA-CQSZACIVSA-N 1 2 338.883 3.178 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001034476361 1342531606 /nfs/dbraw/zinc/53/16/06/1342531606.db2.gz CJFCQGFTVQCWRA-CQSZACIVSA-N 1 2 338.883 3.178 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001034476361 1342531609 /nfs/dbraw/zinc/53/16/09/1342531609.db2.gz CJFCQGFTVQCWRA-CQSZACIVSA-N 1 2 338.883 3.178 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001077924390 1356869367 /nfs/dbraw/zinc/86/93/67/1356869367.db2.gz DAKKNZNURPUJEO-GJZGRUSLSA-N 1 2 345.487 3.234 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2sc(C)nc2C)C1 ZINC001034521162 1342579602 /nfs/dbraw/zinc/57/96/02/1342579602.db2.gz CLMRXJNBBNYQLH-CYBMUJFWSA-N 1 2 327.881 3.097 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2sc(C)nc2C)C1 ZINC001034521162 1342579610 /nfs/dbraw/zinc/57/96/10/1342579610.db2.gz CLMRXJNBBNYQLH-CYBMUJFWSA-N 1 2 327.881 3.097 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C2CCC2)no1 ZINC001035037004 1342890450 /nfs/dbraw/zinc/89/04/50/1342890450.db2.gz KYMZGAFOYREYCU-DNVCBOLYSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(CCCC)cc2)C1 ZINC001035434044 1343091922 /nfs/dbraw/zinc/09/19/22/1343091922.db2.gz AXWINOGXGXDHEZ-LJQANCHMSA-N 1 2 330.472 3.036 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(CCCC)cc2)C1 ZINC001035434044 1343091927 /nfs/dbraw/zinc/09/19/27/1343091927.db2.gz AXWINOGXGXDHEZ-LJQANCHMSA-N 1 2 330.472 3.036 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2coc3ccc(Cl)cc32)C1 ZINC001035590977 1343095815 /nfs/dbraw/zinc/09/58/15/1343095815.db2.gz ZPHJJYYRFHASDH-AWEZNQCLSA-N 1 2 348.830 3.093 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2coc3ccc(Cl)cc32)C1 ZINC001035590977 1343095816 /nfs/dbraw/zinc/09/58/16/1343095816.db2.gz ZPHJJYYRFHASDH-AWEZNQCLSA-N 1 2 348.830 3.093 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001035616686 1343102765 /nfs/dbraw/zinc/10/27/65/1343102765.db2.gz LZRPYUYOGDKPLG-QFBILLFUSA-N 1 2 330.472 3.207 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001035616686 1343102768 /nfs/dbraw/zinc/10/27/68/1343102768.db2.gz LZRPYUYOGDKPLG-QFBILLFUSA-N 1 2 330.472 3.207 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc3cccc(Cl)c3o2)C1 ZINC001035622777 1343104690 /nfs/dbraw/zinc/10/46/90/1343104690.db2.gz XNYOBYALMQBGOJ-AWEZNQCLSA-N 1 2 348.830 3.093 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc3cccc(Cl)c3o2)C1 ZINC001035622777 1343104694 /nfs/dbraw/zinc/10/46/94/1343104694.db2.gz XNYOBYALMQBGOJ-AWEZNQCLSA-N 1 2 348.830 3.093 20 30 EGEDLO CC(C)=CC(=O)N1CCC2(C[NH+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001035643465 1343117651 /nfs/dbraw/zinc/11/76/51/1343117651.db2.gz DPBYPWFPIKSVCQ-UHFFFAOYSA-N 1 2 341.430 3.088 20 30 EGEDLO C[C@@H](C#N)C(=O)N1CCC2(C[NH+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC001035674160 1343132524 /nfs/dbraw/zinc/13/25/24/1343132524.db2.gz SRYBNDVSCRBQOP-ZDUSSCGKSA-N 1 2 349.837 3.063 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cc(C)n(CC)c1C)CC2 ZINC001035744964 1343165248 /nfs/dbraw/zinc/16/52/48/1343165248.db2.gz YDRQJVJMHCHWBU-UHFFFAOYSA-N 1 2 349.906 3.415 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ncc(Cl)s1)CC2 ZINC001035749225 1343168647 /nfs/dbraw/zinc/16/86/47/1343168647.db2.gz PLBZBRJMAOYFQI-UHFFFAOYSA-N 1 2 346.283 3.087 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC2(C[NH+]([C@H](C)c3ncc(C)o3)C2)CC1 ZINC001035768101 1343180626 /nfs/dbraw/zinc/18/06/26/1343180626.db2.gz ZRIRPUQKXXLYAV-OAHLLOKOSA-N 1 2 331.460 3.181 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccc(C(C)C)cn1)CC2 ZINC001035797247 1343203211 /nfs/dbraw/zinc/20/32/11/1343203211.db2.gz GKUSEHFIOVOHJC-UHFFFAOYSA-N 1 2 347.890 3.496 20 30 EGEDLO C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038140849 1344295168 /nfs/dbraw/zinc/29/51/68/1344295168.db2.gz RKPQHPWYQGEGSJ-BLLLJJGKSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038140849 1344295172 /nfs/dbraw/zinc/29/51/72/1344295172.db2.gz RKPQHPWYQGEGSJ-BLLLJJGKSA-N 1 2 342.830 3.105 20 30 EGEDLO Cc1c(F)cccc1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038274264 1344352252 /nfs/dbraw/zinc/35/22/52/1344352252.db2.gz HCCPCKNKTDSPNJ-QGZVFWFLSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1c(F)cccc1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038274264 1344352257 /nfs/dbraw/zinc/35/22/57/1344352257.db2.gz HCCPCKNKTDSPNJ-QGZVFWFLSA-N 1 2 337.398 3.010 20 30 EGEDLO CC1(C)CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001038604402 1344499718 /nfs/dbraw/zinc/49/97/18/1344499718.db2.gz SYIXOXPHMDOIRA-IRXDYDNUSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001038604402 1344499721 /nfs/dbraw/zinc/49/97/21/1344499721.db2.gz SYIXOXPHMDOIRA-IRXDYDNUSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)c(F)c2)CC1 ZINC001038929614 1344658348 /nfs/dbraw/zinc/65/83/48/1344658348.db2.gz JKIZZEKWZUZBJB-ZVZYQTTQSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)c(F)c2)CC1 ZINC001038929614 1344658354 /nfs/dbraw/zinc/65/83/54/1344658354.db2.gz JKIZZEKWZUZBJB-ZVZYQTTQSA-N 1 2 343.446 3.214 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccccc2Cl)c1 ZINC001038940125 1344663736 /nfs/dbraw/zinc/66/37/36/1344663736.db2.gz NAPAIHKUTVIGJV-INIZCTEOSA-N 1 2 339.826 3.216 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccccc2Cl)c1 ZINC001038940125 1344663741 /nfs/dbraw/zinc/66/37/41/1344663741.db2.gz NAPAIHKUTVIGJV-INIZCTEOSA-N 1 2 339.826 3.216 20 30 EGEDLO Cc1cc(C)cc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)c1 ZINC001038962030 1344685155 /nfs/dbraw/zinc/68/51/55/1344685155.db2.gz SVQKJBWQDPLNSW-MRXNPFEDSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1cc(C)cc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)c1 ZINC001038962030 1344685159 /nfs/dbraw/zinc/68/51/59/1344685159.db2.gz SVQKJBWQDPLNSW-MRXNPFEDSA-N 1 2 339.464 3.241 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC1CC1 ZINC001039344004 1345021960 /nfs/dbraw/zinc/02/19/60/1345021960.db2.gz BZFCICRQOZMFNN-CABCVRRESA-N 1 2 341.293 3.151 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC1CC1 ZINC001039344004 1345021962 /nfs/dbraw/zinc/02/19/62/1345021962.db2.gz BZFCICRQOZMFNN-CABCVRRESA-N 1 2 341.293 3.151 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)c(C)c1 ZINC001039452242 1345075248 /nfs/dbraw/zinc/07/52/48/1345075248.db2.gz NEHGBRRJDPUAPT-SJORKVTESA-N 1 2 348.874 3.435 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)c(C)c1 ZINC001039452242 1345075251 /nfs/dbraw/zinc/07/52/51/1345075251.db2.gz NEHGBRRJDPUAPT-SJORKVTESA-N 1 2 348.874 3.435 20 30 EGEDLO C[C@@H]1C[C@H]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001039895401 1345238146 /nfs/dbraw/zinc/23/81/46/1345238146.db2.gz OQIVHJGGCSLJCD-PMXSJFBMSA-N 1 2 336.479 3.150 20 30 EGEDLO C[C@@H]1C[C@H]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001039895401 1345238148 /nfs/dbraw/zinc/23/81/48/1345238148.db2.gz OQIVHJGGCSLJCD-PMXSJFBMSA-N 1 2 336.479 3.150 20 30 EGEDLO C=C[C@@H](C(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@@H]1C)c1ccccc1 ZINC001040140368 1345349308 /nfs/dbraw/zinc/34/93/08/1345349308.db2.gz UOZWHVRQUFSFRR-QGTPRVQTSA-N 1 2 336.439 3.156 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3)C[C@@H]21 ZINC001041909601 1345892937 /nfs/dbraw/zinc/89/29/37/1345892937.db2.gz KLESTILZFYHZED-ZBFHGGJFSA-N 1 2 349.272 3.132 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3)C[C@@H]21 ZINC001041909601 1345892938 /nfs/dbraw/zinc/89/29/38/1345892938.db2.gz KLESTILZFYHZED-ZBFHGGJFSA-N 1 2 349.272 3.132 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3oc(C4CC4)nc3C)C[C@@H]21 ZINC001042265747 1346011602 /nfs/dbraw/zinc/01/16/02/1346011602.db2.gz IYCCUBXBIUZKFG-HIFRSBDPSA-N 1 2 349.862 3.149 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3oc(C4CC4)nc3C)C[C@@H]21 ZINC001042265747 1346011607 /nfs/dbraw/zinc/01/16/07/1346011607.db2.gz IYCCUBXBIUZKFG-HIFRSBDPSA-N 1 2 349.862 3.149 20 30 EGEDLO C=C1CCC(C(=O)NC2(C)CC[NH+]([C@@H](C)c3nnc(C)o3)CC2)CC1 ZINC001045544310 1346624665 /nfs/dbraw/zinc/62/46/65/1346624665.db2.gz BRRXUGNRWZLBQL-AWEZNQCLSA-N 1 2 346.475 3.156 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1cc(C3CC3)[nH]n1)C2 ZINC001045968066 1346803455 /nfs/dbraw/zinc/80/34/55/1346803455.db2.gz IIQFAVSOIFFGHZ-HXUWFJFHSA-N 1 2 342.487 3.181 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1cc(C3CC3)[nH]n1)C2 ZINC001045968066 1346803456 /nfs/dbraw/zinc/80/34/56/1346803456.db2.gz IIQFAVSOIFFGHZ-HXUWFJFHSA-N 1 2 342.487 3.181 20 30 EGEDLO CC1(C)C[C@@H]1C(=O)N[C@]1(C)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001046237721 1346904497 /nfs/dbraw/zinc/90/44/97/1346904497.db2.gz ARPIJLJOIZGITH-OXQOHEQNSA-N 1 2 344.886 3.318 20 30 EGEDLO CC1(C)C[C@@H]1C(=O)N[C@]1(C)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001046237721 1346904500 /nfs/dbraw/zinc/90/45/00/1346904500.db2.gz ARPIJLJOIZGITH-OXQOHEQNSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cccc3scnc32)C1 ZINC001046314594 1346931206 /nfs/dbraw/zinc/93/12/06/1346931206.db2.gz DOLWWCDBDMLUDP-INIZCTEOSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cccc3scnc32)C1 ZINC001046314594 1346931209 /nfs/dbraw/zinc/93/12/09/1346931209.db2.gz DOLWWCDBDMLUDP-INIZCTEOSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2nsc3ccccc32)C1 ZINC001046341410 1346941827 /nfs/dbraw/zinc/94/18/27/1346941827.db2.gz HZIJCFMGAZEPHO-MRXNPFEDSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2nsc3ccccc32)C1 ZINC001046341410 1346941830 /nfs/dbraw/zinc/94/18/30/1346941830.db2.gz HZIJCFMGAZEPHO-MRXNPFEDSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(Cl)cc2F)C1 ZINC001046460831 1346981674 /nfs/dbraw/zinc/98/16/74/1346981674.db2.gz INLGJQJPEPOEPQ-OAHLLOKOSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(Cl)cc2F)C1 ZINC001046460831 1346981677 /nfs/dbraw/zinc/98/16/77/1346981677.db2.gz INLGJQJPEPOEPQ-OAHLLOKOSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2coc3ccc(OC)cc32)C1 ZINC001046475329 1346987513 /nfs/dbraw/zinc/98/75/13/1346987513.db2.gz YWNWKVLKNBYTFV-SFHVURJKSA-N 1 2 348.830 3.388 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2coc3ccc(OC)cc32)C1 ZINC001046475329 1346987515 /nfs/dbraw/zinc/98/75/15/1346987515.db2.gz YWNWKVLKNBYTFV-SFHVURJKSA-N 1 2 348.830 3.388 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001046523277 1347003689 /nfs/dbraw/zinc/00/36/89/1347003689.db2.gz BXVYGVNANWEKTH-GOSISDBHSA-N 1 2 331.847 3.423 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001046523277 1347003693 /nfs/dbraw/zinc/00/36/93/1347003693.db2.gz BXVYGVNANWEKTH-GOSISDBHSA-N 1 2 331.847 3.423 20 30 EGEDLO C=C1CCC(C(=O)N[C@]2(C)CC[N@@H+](Cc3nc(C)oc3C)C2)CC1 ZINC001046594376 1347030681 /nfs/dbraw/zinc/03/06/81/1347030681.db2.gz HCXGQCHAQHFANO-LJQANCHMSA-N 1 2 331.460 3.118 20 30 EGEDLO C=C1CCC(C(=O)N[C@]2(C)CC[N@H+](Cc3nc(C)oc3C)C2)CC1 ZINC001046594376 1347030682 /nfs/dbraw/zinc/03/06/82/1347030682.db2.gz HCXGQCHAQHFANO-LJQANCHMSA-N 1 2 331.460 3.118 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001046631279 1347042682 /nfs/dbraw/zinc/04/26/82/1347042682.db2.gz DPDWKKYDGRTKGP-SFHVURJKSA-N 1 2 333.863 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001046631279 1347042685 /nfs/dbraw/zinc/04/26/85/1347042685.db2.gz DPDWKKYDGRTKGP-SFHVURJKSA-N 1 2 333.863 3.214 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001046754255 1347084990 /nfs/dbraw/zinc/08/49/90/1347084990.db2.gz OUMYWTDYZISRLR-ZFWWWQNUSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001046754255 1347084991 /nfs/dbraw/zinc/08/49/91/1347084991.db2.gz OUMYWTDYZISRLR-ZFWWWQNUSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2[nH]c3ccccc3c2OC)C1 ZINC001046859799 1347133516 /nfs/dbraw/zinc/13/35/16/1347133516.db2.gz BOJUCXUYEHEKOB-GOSISDBHSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2[nH]c3ccccc3c2OC)C1 ZINC001046859799 1347133518 /nfs/dbraw/zinc/13/35/18/1347133518.db2.gz BOJUCXUYEHEKOB-GOSISDBHSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001046981442 1347175912 /nfs/dbraw/zinc/17/59/12/1347175912.db2.gz ZWAZCQVIOUDSDU-SOUVJXGZSA-N 1 2 346.849 3.249 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001046981442 1347175914 /nfs/dbraw/zinc/17/59/14/1347175914.db2.gz ZWAZCQVIOUDSDU-SOUVJXGZSA-N 1 2 346.849 3.249 20 30 EGEDLO C=CCC[N@H+]1C[C@H]2CN(C(=O)c3cc(C4CCCCC4)[nH]n3)C[C@H]2C1 ZINC001048867388 1347673504 /nfs/dbraw/zinc/67/35/04/1347673504.db2.gz JGERIZGTOSUHKX-CALCHBBNSA-N 1 2 342.487 3.037 20 30 EGEDLO C=CCC[N@@H+]1C[C@H]2CN(C(=O)c3cc(C4CCCCC4)[nH]n3)C[C@H]2C1 ZINC001048867388 1347673505 /nfs/dbraw/zinc/67/35/05/1347673505.db2.gz JGERIZGTOSUHKX-CALCHBBNSA-N 1 2 342.487 3.037 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC1(C)C ZINC001049425916 1347845200 /nfs/dbraw/zinc/84/52/00/1347845200.db2.gz QMYLOJMCCCTAIC-BFHYXJOUSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC1(C)C ZINC001049425916 1347845204 /nfs/dbraw/zinc/84/52/04/1347845204.db2.gz QMYLOJMCCCTAIC-BFHYXJOUSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccoc1Cl ZINC001049431752 1347847861 /nfs/dbraw/zinc/84/78/61/1347847861.db2.gz KAYWYNCLMBNVET-CHWSQXEVSA-N 1 2 329.227 3.364 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccoc1Cl ZINC001049431752 1347847864 /nfs/dbraw/zinc/84/78/64/1347847864.db2.gz KAYWYNCLMBNVET-CHWSQXEVSA-N 1 2 329.227 3.364 20 30 EGEDLO CC1(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cc(F)ccc2C#N)CC1 ZINC001049489882 1347873680 /nfs/dbraw/zinc/87/36/80/1347873680.db2.gz HZWLUSAUXHUREZ-MSOLQXFVSA-N 1 2 341.430 3.063 20 30 EGEDLO CC1(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3Cc2cc(F)ccc2C#N)CC1 ZINC001049489882 1347873683 /nfs/dbraw/zinc/87/36/83/1347873683.db2.gz HZWLUSAUXHUREZ-MSOLQXFVSA-N 1 2 341.430 3.063 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1nccs1 ZINC001049632940 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/nfs/dbraw/zinc/27/36/73/1349273673.db2.gz WPMYKQPLVMDLNF-UHFFFAOYSA-N 1 2 346.386 3.418 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc(C)c(F)c3F)cc2C1 ZINC001054282566 1349284399 /nfs/dbraw/zinc/28/43/99/1349284399.db2.gz LDQZFKZMCRNEEU-UHFFFAOYSA-N 1 2 340.373 3.152 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc(C)c(F)c3F)cc2C1 ZINC001054282566 1349284401 /nfs/dbraw/zinc/28/44/01/1349284401.db2.gz LDQZFKZMCRNEEU-UHFFFAOYSA-N 1 2 340.373 3.152 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C)nc2C2CC2)C1 ZINC001080211250 1357523283 /nfs/dbraw/zinc/52/32/83/1357523283.db2.gz NIMNBBFWBSQGCD-BDJLRTHQSA-N 1 2 333.863 3.070 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C)nc2C2CC2)C1 ZINC001080211250 1357523290 /nfs/dbraw/zinc/52/32/90/1357523290.db2.gz NIMNBBFWBSQGCD-BDJLRTHQSA-N 1 2 333.863 3.070 20 30 EGEDLO C=C1CCC(C(=O)N[C@H](C)[C@H]2CCCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001060369029 1350870846 /nfs/dbraw/zinc/87/08/46/1350870846.db2.gz FOOFERFCAFFJEX-QAPCUYQASA-N 1 2 342.487 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/nfs/dbraw/zinc/82/81/21/1354828121.db2.gz VKNRPBDHCBKCHS-UKRRQHHQSA-N 1 2 331.485 3.017 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccnc2C(F)F)CC[C@@H]1C ZINC001071674124 1354842164 /nfs/dbraw/zinc/84/21/64/1354842164.db2.gz OTTBTXABZXJTIJ-NWDGAFQWSA-N 1 2 343.805 3.354 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cccnc2C(F)F)CC[C@@H]1C ZINC001071674124 1354842167 /nfs/dbraw/zinc/84/21/67/1354842167.db2.gz OTTBTXABZXJTIJ-NWDGAFQWSA-N 1 2 343.805 3.354 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2c(C)cc(C)nc2C)CC[C@@H]1C ZINC001071697672 1354858817 /nfs/dbraw/zinc/85/88/17/1354858817.db2.gz CXVIZGVQOBGAOV-GOEBONIOSA-N 1 2 335.879 3.342 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2c(C)cc(C)nc2C)CC[C@@H]1C ZINC001071697672 1354858823 /nfs/dbraw/zinc/85/88/23/1354858823.db2.gz CXVIZGVQOBGAOV-GOEBONIOSA-N 1 2 335.879 3.342 20 30 EGEDLO Cc1cocc1C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001071743532 1354895577 /nfs/dbraw/zinc/89/55/77/1354895577.db2.gz ACNAUUPJYYBVBA-MAUKXSAKSA-N 1 2 337.423 3.243 20 30 EGEDLO Cc1cocc1C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001071743532 1354895580 /nfs/dbraw/zinc/89/55/80/1354895580.db2.gz ACNAUUPJYYBVBA-MAUKXSAKSA-N 1 2 337.423 3.243 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3ccn(CC)n3)C2)CC1 ZINC001071794482 1354938988 /nfs/dbraw/zinc/93/89/88/1354938988.db2.gz CGLLJAWVPMQPEN-FUHWJXTLSA-N 1 2 344.503 3.119 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3ccn(CC)n3)C2)CC1 ZINC001071794482 1354938991 /nfs/dbraw/zinc/93/89/91/1354938991.db2.gz CGLLJAWVPMQPEN-FUHWJXTLSA-N 1 2 344.503 3.119 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3coc(C)n3)C2)CC1 ZINC001071794582 1354939045 /nfs/dbraw/zinc/93/90/45/1354939045.db2.gz CZCYLHBOAZJTHD-YOEHRIQHSA-N 1 2 331.460 3.199 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3coc(C)n3)C2)CC1 ZINC001071794582 1354939049 /nfs/dbraw/zinc/93/90/49/1354939049.db2.gz CZCYLHBOAZJTHD-YOEHRIQHSA-N 1 2 331.460 3.199 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc(OCC)cc2)CC[C@H]1C ZINC001072037455 1355094793 /nfs/dbraw/zinc/09/47/93/1355094793.db2.gz PAOFGHZRAAKIKE-GDBMZVCRSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc(OCC)cc2)CC[C@H]1C ZINC001072037455 1355094794 /nfs/dbraw/zinc/09/47/94/1355094794.db2.gz PAOFGHZRAAKIKE-GDBMZVCRSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2-c2ccco2)CC[C@H]1C ZINC001072096432 1355127336 /nfs/dbraw/zinc/12/73/36/1355127336.db2.gz ZPITXJBUHYRFHK-OLZOCXBDSA-N 1 2 348.834 3.005 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2-c2ccco2)CC[C@H]1C ZINC001072096432 1355127339 /nfs/dbraw/zinc/12/73/39/1355127339.db2.gz ZPITXJBUHYRFHK-OLZOCXBDSA-N 1 2 348.834 3.005 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001073617745 1355846080 /nfs/dbraw/zinc/84/60/80/1355846080.db2.gz LPGTYKYGEXDFOF-DLBZAZTESA-N 1 2 340.895 3.083 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001073617745 1355846082 /nfs/dbraw/zinc/84/60/82/1355846082.db2.gz LPGTYKYGEXDFOF-DLBZAZTESA-N 1 2 340.895 3.083 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCCN1C(=O)CC1CC1 ZINC001073928091 1355962636 /nfs/dbraw/zinc/96/26/36/1355962636.db2.gz ZJZFOWCJNBZVHI-LJQANCHMSA-N 1 2 343.446 3.310 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCCN1C(=O)CC1CC1 ZINC001073928091 1355962647 /nfs/dbraw/zinc/96/26/47/1355962647.db2.gz ZJZFOWCJNBZVHI-LJQANCHMSA-N 1 2 343.446 3.310 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc(C)c3Cl)C[C@H]21 ZINC001074360492 1356184037 /nfs/dbraw/zinc/18/40/37/1356184037.db2.gz NCRAJJXITAFPDN-SJORKVTESA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc(C)c3Cl)C[C@H]21 ZINC001074360492 1356184038 /nfs/dbraw/zinc/18/40/38/1356184038.db2.gz NCRAJJXITAFPDN-SJORKVTESA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C(C)(C)C)cn3)[C@@H]2C1 ZINC001075805166 1356423888 /nfs/dbraw/zinc/42/38/88/1356423888.db2.gz QCYQQLHYZONPNE-WMLDXEAASA-N 1 2 347.890 3.278 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C(C)(C)C)cn3)[C@@H]2C1 ZINC001075805166 1356423893 /nfs/dbraw/zinc/42/38/93/1356423893.db2.gz QCYQQLHYZONPNE-WMLDXEAASA-N 1 2 347.890 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)COC ZINC001099144244 1363652442 /nfs/dbraw/zinc/65/24/42/1363652442.db2.gz CIDCODPKRYVSJA-CQSZACIVSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)COC ZINC001099144244 1363652446 /nfs/dbraw/zinc/65/24/46/1363652446.db2.gz CIDCODPKRYVSJA-CQSZACIVSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c(Cl)cccc2OC)C1 ZINC001080996508 1357776564 /nfs/dbraw/zinc/77/65/64/1357776564.db2.gz XYTDJHZCWOAFQK-ZWNOBZJWSA-N 1 2 343.254 3.151 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c(Cl)cccc2OC)C1 ZINC001080996508 1357776568 /nfs/dbraw/zinc/77/65/68/1357776568.db2.gz XYTDJHZCWOAFQK-ZWNOBZJWSA-N 1 2 343.254 3.151 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccccc3F)[C@@H]2C1 ZINC001084711377 1358289633 /nfs/dbraw/zinc/28/96/33/1358289633.db2.gz FKCSGEWSHZCXLO-NOVWEMISSA-N 1 2 348.849 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccccc3F)[C@@H]2C1 ZINC001084711377 1358289636 /nfs/dbraw/zinc/28/96/36/1358289636.db2.gz FKCSGEWSHZCXLO-NOVWEMISSA-N 1 2 348.849 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccccc3C)[C@@H]2C1 ZINC001084714747 1358290969 /nfs/dbraw/zinc/29/09/69/1358290969.db2.gz XYODQYZZBDBETD-QXCFHYIPSA-N 1 2 344.886 3.384 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccccc3C)[C@@H]2C1 ZINC001084714747 1358290972 /nfs/dbraw/zinc/29/09/72/1358290972.db2.gz XYODQYZZBDBETD-QXCFHYIPSA-N 1 2 344.886 3.384 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3ccccc3)[C@@H]2C1 ZINC001084845593 1358327312 /nfs/dbraw/zinc/32/73/12/1358327312.db2.gz XKOKVFPQRXGPOH-BMGDILEWSA-N 1 2 332.875 3.150 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3ccccc3)[C@@H]2C1 ZINC001084845593 1358327315 /nfs/dbraw/zinc/32/73/15/1358327315.db2.gz XKOKVFPQRXGPOH-BMGDILEWSA-N 1 2 332.875 3.150 20 30 EGEDLO Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)s1 ZINC001085461155 1358514919 /nfs/dbraw/zinc/51/49/19/1358514919.db2.gz YTVIPRDCMZEXGK-KRWDZBQOSA-N 1 2 339.464 3.275 20 30 EGEDLO Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)s1 ZINC001085461155 1358514922 /nfs/dbraw/zinc/51/49/22/1358514922.db2.gz YTVIPRDCMZEXGK-KRWDZBQOSA-N 1 2 339.464 3.275 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)C12CCC(CC1)C2 ZINC001085674908 1358678383 /nfs/dbraw/zinc/67/83/83/1358678383.db2.gz GUAAJTUDLSTYFF-BSLVTKGXSA-N 1 2 337.467 3.171 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)C12CCC(CC1)C2 ZINC001085674908 1358678387 /nfs/dbraw/zinc/67/83/87/1358678387.db2.gz GUAAJTUDLSTYFF-BSLVTKGXSA-N 1 2 337.467 3.171 20 30 EGEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccccc2F)cc1 ZINC001085756628 1358736436 /nfs/dbraw/zinc/73/64/36/1358736436.db2.gz NBDDNSQJGJZCAR-IBGZPJMESA-N 1 2 336.410 3.154 20 30 EGEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccccc2F)cc1 ZINC001085756628 1358736440 /nfs/dbraw/zinc/73/64/40/1358736440.db2.gz NBDDNSQJGJZCAR-IBGZPJMESA-N 1 2 336.410 3.154 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1CCC1(C)C ZINC001085775148 1358748078 /nfs/dbraw/zinc/74/80/78/1358748078.db2.gz QEJMVKPVQVGACS-ROUUACIJSA-N 1 2 325.456 3.027 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1CCC1(C)C ZINC001085775148 1358748079 /nfs/dbraw/zinc/74/80/79/1358748079.db2.gz QEJMVKPVQVGACS-ROUUACIJSA-N 1 2 325.456 3.027 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)CC1 ZINC001085798295 1358773890 /nfs/dbraw/zinc/77/38/90/1358773890.db2.gz NXXALMNFBLFDHX-MRXNPFEDSA-N 1 2 343.496 3.399 20 30 EGEDLO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)CC1 ZINC001085798295 1358773893 /nfs/dbraw/zinc/77/38/93/1358773893.db2.gz NXXALMNFBLFDHX-MRXNPFEDSA-N 1 2 343.496 3.399 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001085826886 1358794013 /nfs/dbraw/zinc/79/40/13/1358794013.db2.gz BPOLKHIKGPVOMS-BHIYHBOVSA-N 1 2 344.886 3.270 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001085826886 1358794019 /nfs/dbraw/zinc/79/40/19/1358794019.db2.gz BPOLKHIKGPVOMS-BHIYHBOVSA-N 1 2 344.886 3.270 20 30 EGEDLO C#CC1(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)CCCCC1 ZINC001183841632 1387357714 /nfs/dbraw/zinc/35/77/14/1387357714.db2.gz NZAAXDWTQNKZOR-HXUWFJFHSA-N 1 2 349.478 3.365 20 30 EGEDLO C#CC1(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)CCCCC1 ZINC001183841632 1387357718 /nfs/dbraw/zinc/35/77/18/1387357718.db2.gz NZAAXDWTQNKZOR-HXUWFJFHSA-N 1 2 349.478 3.365 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)C=C2CCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087539072 1359521240 /nfs/dbraw/zinc/52/12/40/1359521240.db2.gz ZWOAZQJMIAACSM-RBUKOAKNSA-N 1 2 341.430 3.277 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)C=C2CCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087539072 1359521242 /nfs/dbraw/zinc/52/12/42/1359521242.db2.gz ZWOAZQJMIAACSM-RBUKOAKNSA-N 1 2 341.430 3.277 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nc(Cl)cs2)[C@H]1CC ZINC001087701259 1359598443 /nfs/dbraw/zinc/59/84/43/1359598443.db2.gz QBKKBSRTLMOKEE-VHSXEESVSA-N 1 2 334.272 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nc(Cl)cs2)[C@H]1CC ZINC001087701259 1359598447 /nfs/dbraw/zinc/59/84/47/1359598447.db2.gz QBKKBSRTLMOKEE-VHSXEESVSA-N 1 2 334.272 3.132 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCCCC[C@@H]([NH2+]Cc2noc(C3CC3)n2)C1 ZINC001088358940 1359842424 /nfs/dbraw/zinc/84/24/24/1359842424.db2.gz NQDWQFKMHRSUAW-OAHLLOKOSA-N 1 2 346.475 3.020 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCCCC[C@@H]([NH2+]Cc2noc(C(C)C)n2)C1 ZINC001088359064 1359842600 /nfs/dbraw/zinc/84/26/00/1359842600.db2.gz QFFQPBSKJBMAJH-OAHLLOKOSA-N 1 2 348.491 3.266 20 30 EGEDLO C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC001088420709 1359890413 /nfs/dbraw/zinc/89/04/13/1359890413.db2.gz WMHVYJCUVJEHKT-AWEZNQCLSA-N 1 2 346.862 3.290 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)[C@H]1C ZINC001088760647 1360033833 /nfs/dbraw/zinc/03/38/33/1360033833.db2.gz OYCLBZSFSQXIJG-QSOKESPWSA-N 1 2 332.875 3.296 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)[C@H]1C ZINC001088760647 1360033836 /nfs/dbraw/zinc/03/38/36/1360033836.db2.gz OYCLBZSFSQXIJG-QSOKESPWSA-N 1 2 332.875 3.296 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C4CC4)o3)[C@@H]2C)CC1 ZINC001088835423 1360070792 /nfs/dbraw/zinc/07/07/92/1360070792.db2.gz VOXPTICRNBMDFV-PBHICJAKSA-N 1 2 343.471 3.377 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C4CC4)o3)[C@@H]2C)CC1 ZINC001088835423 1360070795 /nfs/dbraw/zinc/07/07/95/1360070795.db2.gz VOXPTICRNBMDFV-PBHICJAKSA-N 1 2 343.471 3.377 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CCOc3ccccc32)[C@H]1C ZINC001088983416 1360124973 /nfs/dbraw/zinc/12/49/73/1360124973.db2.gz VYAWOJXMMXAVDE-ALKREAHSSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CCOc3ccccc32)[C@H]1C ZINC001088983416 1360124974 /nfs/dbraw/zinc/12/49/74/1360124974.db2.gz VYAWOJXMMXAVDE-ALKREAHSSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)nc3ccccc32)[C@H]1C ZINC001089021501 1360139314 /nfs/dbraw/zinc/13/93/14/1360139314.db2.gz ROLFWTMZSKIBCP-PBHICJAKSA-N 1 2 343.858 3.488 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)nc3ccccc32)[C@H]1C ZINC001089021501 1360139318 /nfs/dbraw/zinc/13/93/18/1360139318.db2.gz ROLFWTMZSKIBCP-PBHICJAKSA-N 1 2 343.858 3.488 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089128616 1360190451 /nfs/dbraw/zinc/19/04/51/1360190451.db2.gz YCZACKOUOMBWLF-KBXCAEBGSA-N 1 2 342.487 3.069 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cscn1 ZINC001089613633 1360535718 /nfs/dbraw/zinc/53/57/18/1360535718.db2.gz ZPDFNDGZYJCRFY-LBPRGKRZSA-N 1 2 327.881 3.116 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cscn1 ZINC001089613633 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C=C[C@@H](C)[C@@H](C)C(=O)N1CCC(CCNc2cc[nH+]c(C)n2)CC1 ZINC001103624694 1365685534 /nfs/dbraw/zinc/68/55/34/1365685534.db2.gz IEDCOCGFZBOESH-HUUCEWRRSA-N 1 2 330.476 3.284 20 30 EGEDLO C=C[C@@H](CC(=O)NC[C@H](C)CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001103988582 1365861142 /nfs/dbraw/zinc/86/11/42/1365861142.db2.gz FZNXBCLAASCMQM-WBVHZDCISA-N 1 2 338.455 3.309 20 30 EGEDLO C=C[C@@H](CC(=O)N(C)[C@@H](C)CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001104589269 1366090311 /nfs/dbraw/zinc/09/03/11/1366090311.db2.gz ZHSHENBEDYIELH-RDJZCZTQSA-N 1 2 338.455 3.404 20 30 EGEDLO CC#CCCCC(=O)N(C)[C@@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001104771798 1366165782 /nfs/dbraw/zinc/16/57/82/1366165782.db2.gz RCGXEZUBJKGDOT-HNNXBMFYSA-N 1 2 328.460 3.115 20 30 EGEDLO C=C(C)CCC(=O)N1CCC(CCN(C)c2cc[nH+]c(C)n2)CC1 ZINC001105100823 1366328639 /nfs/dbraw/zinc/32/86/39/1366328639.db2.gz LRLYUKVJUPBPDE-UHFFFAOYSA-N 1 2 330.476 3.206 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CCC[C@@H]2CNc2cc[nH+]c(C)n2)CCC1 ZINC001105691522 1366576046 /nfs/dbraw/zinc/57/60/46/1366576046.db2.gz GVARTWPUDNFFTM-CVEARBPZSA-N 1 2 328.460 3.228 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CCCC[C@@H](C)CC)CC2)C1 ZINC001105709588 1366581602 /nfs/dbraw/zinc/58/16/02/1366581602.db2.gz PRAIFLDQKRMONO-KRWDZBQOSA-N 1 2 336.520 3.471 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H](CCC)CC(C)C)CC2)C1 ZINC001105734580 1366589491 /nfs/dbraw/zinc/58/94/91/1366589491.db2.gz YOXHPXRTYHYNJM-KRWDZBQOSA-N 1 2 336.520 3.327 20 30 EGEDLO C=CC[C@H](C(=O)N[C@@H](C)CCNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001106349736 1366664572 /nfs/dbraw/zinc/66/45/72/1366664572.db2.gz VHZQYUSYMZJXPD-YJBOKZPZSA-N 1 2 338.455 3.452 20 30 EGEDLO CC#CCCCC(=O)N[C@@H](C)CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001106528267 1366723273 /nfs/dbraw/zinc/72/32/73/1366723273.db2.gz BYNOAGPRQZNYDE-HNNXBMFYSA-N 1 2 330.476 3.409 20 30 EGEDLO C=C1CCC(C(=O)NC/C=C\CNc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001107493846 1366993539 /nfs/dbraw/zinc/99/35/39/1366993539.db2.gz OBMFBYLAOIOEBB-ARJAWSKDSA-N 1 2 340.471 3.493 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)CN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001109189152 1366993669 /nfs/dbraw/zinc/99/36/69/1366993669.db2.gz HVKJEHJYOONISP-CQSZACIVSA-N 1 2 344.503 3.207 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1ncc(C)o1 ZINC001109343013 1367069286 /nfs/dbraw/zinc/06/92/86/1367069286.db2.gz GGZIUGNTTINFBV-FZKCQIBNSA-N 1 2 331.460 3.368 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1ncc(C)o1 ZINC001109343013 1367069293 /nfs/dbraw/zinc/06/92/93/1367069293.db2.gz GGZIUGNTTINFBV-FZKCQIBNSA-N 1 2 331.460 3.368 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001109343172 1367070779 /nfs/dbraw/zinc/07/07/79/1367070779.db2.gz LYJGFNYDQHAOLB-VYDXJSESSA-N 1 2 331.460 3.115 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001109343172 1367070782 /nfs/dbraw/zinc/07/07/82/1367070782.db2.gz LYJGFNYDQHAOLB-VYDXJSESSA-N 1 2 331.460 3.115 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CCCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001109348384 1367077834 /nfs/dbraw/zinc/07/78/34/1367077834.db2.gz FRWARLACEJIJSI-MSOLQXFVSA-N 1 2 342.487 3.456 20 30 EGEDLO C#CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C(CC)CC)n2)C1 ZINC001189909995 1367129478 /nfs/dbraw/zinc/12/94/78/1367129478.db2.gz KMNMUEJDVXKTKM-LJQANCHMSA-N 1 2 344.503 3.080 20 30 EGEDLO C#CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C(CC)CC)n2)C1 ZINC001189909995 1367129483 /nfs/dbraw/zinc/12/94/83/1367129483.db2.gz KMNMUEJDVXKTKM-LJQANCHMSA-N 1 2 344.503 3.080 20 30 EGEDLO CCCCc1nc(C[N@H+](C)[C@H]2CCN(C(=O)C#CC(C)C)C2)cs1 ZINC001190004193 1367150028 /nfs/dbraw/zinc/15/00/28/1367150028.db2.gz NXPRMAIFSASVPF-KRWDZBQOSA-N 1 2 347.528 3.178 20 30 EGEDLO CCCCc1nc(C[N@@H+](C)[C@H]2CCN(C(=O)C#CC(C)C)C2)cs1 ZINC001190004193 1367150033 /nfs/dbraw/zinc/15/00/33/1367150033.db2.gz NXPRMAIFSASVPF-KRWDZBQOSA-N 1 2 347.528 3.178 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2c(F)cccc2F)C1 ZINC001190005360 1367150154 /nfs/dbraw/zinc/15/01/54/1367150154.db2.gz ZVDGRCOOUMFBOU-GJZGRUSLSA-N 1 2 334.410 3.218 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2c(F)cccc2F)C1 ZINC001190005360 1367150159 /nfs/dbraw/zinc/15/01/59/1367150159.db2.gz ZVDGRCOOUMFBOU-GJZGRUSLSA-N 1 2 334.410 3.218 20 30 EGEDLO COc1cccc(Cl)c1C[N@H+](C)[C@H]1CCN(C(=O)C#CC(C)C)C1 ZINC001190053247 1367161890 /nfs/dbraw/zinc/16/18/90/1367161890.db2.gz HGWQVERGNGOUQS-HNNXBMFYSA-N 1 2 348.874 3.041 20 30 EGEDLO COc1cccc(Cl)c1C[N@@H+](C)[C@H]1CCN(C(=O)C#CC(C)C)C1 ZINC001190053247 1367161896 /nfs/dbraw/zinc/16/18/96/1367161896.db2.gz HGWQVERGNGOUQS-HNNXBMFYSA-N 1 2 348.874 3.041 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107955070 1367215294 /nfs/dbraw/zinc/21/52/94/1367215294.db2.gz NOUYBFFSFOHMEC-LLVKDONJSA-N 1 2 336.867 3.358 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2nc(C(C)C)no2)C1 ZINC001190391248 1367250075 /nfs/dbraw/zinc/25/00/75/1367250075.db2.gz YAFCUXFEUZXWPY-HUUCEWRRSA-N 1 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CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109660066 1367268740 /nfs/dbraw/zinc/26/87/40/1367268740.db2.gz UETRYFHPQMUOIU-SQNIBIBYSA-N 1 2 325.456 3.216 20 30 EGEDLO CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109660066 1367268746 /nfs/dbraw/zinc/26/87/46/1367268746.db2.gz UETRYFHPQMUOIU-SQNIBIBYSA-N 1 2 325.456 3.216 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(C3CCCC3)cc2)C1 ZINC001108076540 1367269960 /nfs/dbraw/zinc/26/99/60/1367269960.db2.gz LKAJBDYLHWUNMF-OAQYLSRUSA-N 1 2 342.483 3.351 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(C3CCCC3)cc2)C1 ZINC001108076540 1367269965 /nfs/dbraw/zinc/26/99/65/1367269965.db2.gz LKAJBDYLHWUNMF-OAQYLSRUSA-N 1 2 342.483 3.351 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc(C)cs2)CC1 ZINC001109675776 1367275704 /nfs/dbraw/zinc/27/57/04/1367275704.db2.gz HAQDVXMAYRTDAO-PMPSAXMXSA-N 1 2 345.512 3.419 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc(C)cs2)CC1 ZINC001109675776 1367275709 /nfs/dbraw/zinc/27/57/09/1367275709.db2.gz HAQDVXMAYRTDAO-PMPSAXMXSA-N 1 2 345.512 3.419 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001109682123 1367279469 /nfs/dbraw/zinc/27/94/69/1367279469.db2.gz UMUDZYDPZPISBQ-VUHPKUFZSA-N 1 2 331.435 3.045 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001109682123 1367279475 /nfs/dbraw/zinc/27/94/75/1367279475.db2.gz UMUDZYDPZPISBQ-VUHPKUFZSA-N 1 2 331.435 3.045 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@]1(C)C[N@H+]([C@H](C)c2cccc(F)c2)CCO1 ZINC001108122151 1367292139 /nfs/dbraw/zinc/29/21/39/1367292139.db2.gz OBNZYVZXLMIAMK-FOIQADDNSA-N 1 2 348.462 3.306 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@]1(C)C[N@@H+]([C@H](C)c2cccc(F)c2)CCO1 ZINC001108122151 1367292145 /nfs/dbraw/zinc/29/21/45/1367292145.db2.gz OBNZYVZXLMIAMK-FOIQADDNSA-N 1 2 348.462 3.306 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1ncc(C)o1 ZINC001109769806 1367312437 /nfs/dbraw/zinc/31/24/37/1367312437.db2.gz VQKQPLJLMUXOKE-FZKCQIBNSA-N 1 2 331.460 3.368 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1ncc(C)o1 ZINC001109769806 1367312442 /nfs/dbraw/zinc/31/24/42/1367312442.db2.gz VQKQPLJLMUXOKE-FZKCQIBNSA-N 1 2 331.460 3.368 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@]1(C)C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC001108186064 1367328836 /nfs/dbraw/zinc/32/88/36/1367328836.db2.gz IZLGPBXINVCIBO-VQTJNVASSA-N 1 2 348.462 3.135 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC001108186064 1367328841 /nfs/dbraw/zinc/32/88/41/1367328841.db2.gz IZLGPBXINVCIBO-VQTJNVASSA-N 1 2 348.462 3.135 20 30 EGEDLO C=CCCC1(C(=O)NC[C@@]2(C)C[N@H+](Cc3ccsc3)CCO2)CC1 ZINC001108186878 1367330315 /nfs/dbraw/zinc/33/03/15/1367330315.db2.gz UMPDCNUPCJLPBU-SFHVURJKSA-N 1 2 348.512 3.202 20 30 EGEDLO C=CCCC1(C(=O)NC[C@@]2(C)C[N@@H+](Cc3ccsc3)CCO2)CC1 ZINC001108186878 1367330319 /nfs/dbraw/zinc/33/03/19/1367330319.db2.gz UMPDCNUPCJLPBU-SFHVURJKSA-N 1 2 348.512 3.202 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC001108363204 1367412133 /nfs/dbraw/zinc/41/21/33/1367412133.db2.gz ZQTAYHAAEYEIPV-INIZCTEOSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC001108363204 1367412138 /nfs/dbraw/zinc/41/21/38/1367412138.db2.gz ZQTAYHAAEYEIPV-INIZCTEOSA-N 1 2 343.254 3.000 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC(C)(C)c2ccc(C)cc2)C1 ZINC001108385550 1367429005 /nfs/dbraw/zinc/42/90/05/1367429005.db2.gz JUMDTFSEXFJOLP-NRFANRHFSA-N 1 2 344.499 3.056 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CC(C)(C)c2ccc(C)cc2)C1 ZINC001108385550 1367429008 /nfs/dbraw/zinc/42/90/08/1367429008.db2.gz JUMDTFSEXFJOLP-NRFANRHFSA-N 1 2 344.499 3.056 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@](C)(CC)CCCCC)C1 ZINC001108426505 1367450778 /nfs/dbraw/zinc/45/07/78/1367450778.db2.gz NKNRKOINIOWILN-UXHICEINSA-N 1 2 336.520 3.213 20 30 EGEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@](C)(CC)CCCCC)C1 ZINC001108426505 1367450780 /nfs/dbraw/zinc/45/07/80/1367450780.db2.gz NKNRKOINIOWILN-UXHICEINSA-N 1 2 336.520 3.213 20 30 EGEDLO C#CCC1(C(=O)N2CC[C@H](Nc3cc[nH+]c(C)n3)[C@@H](CC)C2)CCC1 ZINC001110036596 1367475985 /nfs/dbraw/zinc/47/59/85/1367475985.db2.gz VUDZSYGFUXIKCR-IRXDYDNUSA-N 1 2 340.471 3.018 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]([N@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001191762755 1367580481 /nfs/dbraw/zinc/58/04/81/1367580481.db2.gz FGAXFACJWXTXCU-SFHVURJKSA-N 1 2 343.471 3.168 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001191762755 1367580487 /nfs/dbraw/zinc/58/04/87/1367580487.db2.gz FGAXFACJWXTXCU-SFHVURJKSA-N 1 2 343.471 3.168 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001191868518 1367622385 /nfs/dbraw/zinc/62/23/85/1367622385.db2.gz VDTJCHKDEJHUBL-BEFAXECRSA-N 1 2 343.446 3.332 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001191868518 1367622390 /nfs/dbraw/zinc/62/23/90/1367622390.db2.gz VDTJCHKDEJHUBL-BEFAXECRSA-N 1 2 343.446 3.332 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2nc(C)sc2C)C1 ZINC001191889765 1367627367 /nfs/dbraw/zinc/62/73/67/1367627367.db2.gz KASYRPQWTPKHCV-CVEARBPZSA-N 1 2 335.517 3.395 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2nc(C)sc2C)C1 ZINC001191889765 1367627377 /nfs/dbraw/zinc/62/73/77/1367627377.db2.gz KASYRPQWTPKHCV-CVEARBPZSA-N 1 2 335.517 3.395 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001191890687 1367627776 /nfs/dbraw/zinc/62/77/76/1367627776.db2.gz TWTJMDXSCUDUAG-WMLDXEAASA-N 1 2 331.460 3.187 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001191890687 1367627780 /nfs/dbraw/zinc/62/77/80/1367627780.db2.gz TWTJMDXSCUDUAG-WMLDXEAASA-N 1 2 331.460 3.187 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccncc2Cl)C1 ZINC001191913588 1367638282 /nfs/dbraw/zinc/63/82/82/1367638282.db2.gz ZFOPQCONCZMQPJ-GDBMZVCRSA-N 1 2 335.879 3.370 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccncc2Cl)C1 ZINC001191913588 1367638289 /nfs/dbraw/zinc/63/82/89/1367638289.db2.gz ZFOPQCONCZMQPJ-GDBMZVCRSA-N 1 2 335.879 3.370 20 30 EGEDLO CC/C=C(/C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110345626 1367656792 /nfs/dbraw/zinc/65/67/92/1367656792.db2.gz XUZNRWFKDNQCTB-DTAWEAPWSA-N 1 2 341.430 3.275 20 30 EGEDLO CC/C=C(/C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110345626 1367656799 /nfs/dbraw/zinc/65/67/99/1367656799.db2.gz XUZNRWFKDNQCTB-DTAWEAPWSA-N 1 2 341.430 3.275 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC=C(Cl)Cl ZINC001110366234 1367670357 /nfs/dbraw/zinc/67/03/57/1367670357.db2.gz MUCLFZGUXVNSJH-SYQHCUMBSA-N 1 2 347.286 3.008 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(Cl)Cl ZINC001110366234 1367670361 /nfs/dbraw/zinc/67/03/61/1367670361.db2.gz MUCLFZGUXVNSJH-SYQHCUMBSA-N 1 2 347.286 3.008 20 30 EGEDLO CCC[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110406153 1367695496 /nfs/dbraw/zinc/69/54/96/1367695496.db2.gz XZORIMZTKVUOJV-QVSURHGTSA-N 1 2 343.446 3.355 20 30 EGEDLO CCC[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110406153 1367695499 /nfs/dbraw/zinc/69/54/99/1367695499.db2.gz XZORIMZTKVUOJV-QVSURHGTSA-N 1 2 343.446 3.355 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)[C@@H](C)c3ncc(C)o3)C2)CCC1 ZINC001192218800 1367721526 /nfs/dbraw/zinc/72/15/26/1367721526.db2.gz WONHOQZMBXLRDO-HOTGVXAUSA-N 1 2 331.460 3.323 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)[C@@H](C)c3ncc(C)o3)C2)CCC1 ZINC001192218800 1367721533 /nfs/dbraw/zinc/72/15/33/1367721533.db2.gz WONHOQZMBXLRDO-HOTGVXAUSA-N 1 2 331.460 3.323 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC2(C1)CCN(c1cc[nH+]c(C)n1)CC2 ZINC001110463892 1367754542 /nfs/dbraw/zinc/75/45/42/1367754542.db2.gz YHPKIZCINYKRCZ-MRXNPFEDSA-N 1 2 342.487 3.206 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1c(F)cccc1F ZINC001110539494 1367818429 /nfs/dbraw/zinc/81/84/29/1367818429.db2.gz VMYFHPWPWKNPRT-JFTQMJAMSA-N 1 2 346.421 3.407 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1c(F)cccc1F ZINC001110539494 1367818431 /nfs/dbraw/zinc/81/84/31/1367818431.db2.gz VMYFHPWPWKNPRT-JFTQMJAMSA-N 1 2 346.421 3.407 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2nc(C)sc2C)C1 ZINC001192586064 1367825071 /nfs/dbraw/zinc/82/50/71/1367825071.db2.gz IBGABDVNZDANDK-OAHLLOKOSA-N 1 2 335.517 3.395 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(C)sc2C)C1 ZINC001192586064 1367825075 /nfs/dbraw/zinc/82/50/75/1367825075.db2.gz IBGABDVNZDANDK-OAHLLOKOSA-N 1 2 335.517 3.395 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2cnc(Cl)s2)C1 ZINC001192586336 1367826974 /nfs/dbraw/zinc/82/69/74/1367826974.db2.gz MPCVOGRMNOSPLK-GFCCVEGCSA-N 1 2 341.908 3.432 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cnc(Cl)s2)C1 ZINC001192586336 1367826975 /nfs/dbraw/zinc/82/69/75/1367826975.db2.gz MPCVOGRMNOSPLK-GFCCVEGCSA-N 1 2 341.908 3.432 20 30 EGEDLO C=CCCCC(=O)NC1(C)CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001110608092 1367870720 /nfs/dbraw/zinc/87/07/20/1367870720.db2.gz WSEJHPXZRIRKQG-UHFFFAOYSA-N 1 2 330.476 3.233 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C1CCCC1 ZINC001110674059 1367914623 /nfs/dbraw/zinc/91/46/23/1367914623.db2.gz CEXVDOGUDWAZHY-INIZCTEOSA-N 1 2 330.476 3.474 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C1CCCC1 ZINC001110675664 1367916236 /nfs/dbraw/zinc/91/62/36/1367916236.db2.gz DWEJSXMMCQGVQL-WBVHZDCISA-N 1 2 330.476 3.474 20 30 EGEDLO C=CC1(CC(=O)N2CC[C@@H]([NH2+][C@@H](C)c3nc(C)no3)C2)CCCCC1 ZINC001186280510 1387914068 /nfs/dbraw/zinc/91/40/68/1387914068.db2.gz CIERJHMOJMDZRT-GOEBONIOSA-N 1 2 346.475 3.156 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@]2(C)CCCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001110957205 1368123556 /nfs/dbraw/zinc/12/35/56/1368123556.db2.gz KWNHGEJMXDZQKQ-HXUWFJFHSA-N 1 2 342.487 3.254 20 30 EGEDLO C=CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccon2)C1)c1ccccc1 ZINC001194173748 1368197620 /nfs/dbraw/zinc/19/76/20/1368197620.db2.gz DHLLUVGJRRCLOF-MOPGFXCFSA-N 1 2 339.439 3.067 20 30 EGEDLO C=CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccon2)C1)c1ccccc1 ZINC001194173748 1368197624 /nfs/dbraw/zinc/19/76/24/1368197624.db2.gz DHLLUVGJRRCLOF-MOPGFXCFSA-N 1 2 339.439 3.067 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(C)n1 ZINC001111313402 1368262486 /nfs/dbraw/zinc/26/24/86/1368262486.db2.gz AFLMKEQHEWWLEJ-QRVBRYPASA-N 1 2 346.519 3.392 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccn(C)n1 ZINC001111313402 1368262492 /nfs/dbraw/zinc/26/24/92/1368262492.db2.gz AFLMKEQHEWWLEJ-QRVBRYPASA-N 1 2 346.519 3.392 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Oc1cccc(C)c1)C2 ZINC001111366587 1368274000 /nfs/dbraw/zinc/27/40/00/1368274000.db2.gz QUPOJIKVCUBWKS-AHCXZYCDSA-N 1 2 348.874 3.236 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Oc1cccc(C)c1)C2 ZINC001111366587 1368274005 /nfs/dbraw/zinc/27/40/05/1368274005.db2.gz QUPOJIKVCUBWKS-AHCXZYCDSA-N 1 2 348.874 3.236 20 30 EGEDLO CCCC[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001195717939 1368477122 /nfs/dbraw/zinc/47/71/22/1368477122.db2.gz SZOBEOJZAIWUSI-HNNXBMFYSA-N 1 2 333.501 3.480 20 30 EGEDLO CCCC[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001195717939 1368477124 /nfs/dbraw/zinc/47/71/24/1368477124.db2.gz SZOBEOJZAIWUSI-HNNXBMFYSA-N 1 2 333.501 3.480 20 30 EGEDLO CC/C(C)=C\C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001195762228 1368484035 /nfs/dbraw/zinc/48/40/35/1368484035.db2.gz ZCHSWYBJBZYTJR-PTNGSMBKSA-N 1 2 329.419 3.088 20 30 EGEDLO CC/C(C)=C\C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001195762228 1368484037 /nfs/dbraw/zinc/48/40/37/1368484037.db2.gz ZCHSWYBJBZYTJR-PTNGSMBKSA-N 1 2 329.419 3.088 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC[N@@H+]([C@H](C)c2cnc(C)cn2)CC1 ZINC001195966557 1368524767 /nfs/dbraw/zinc/52/47/67/1368524767.db2.gz LENCHFPVXYWRBF-QGZVFWFLSA-N 1 2 342.487 3.149 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CCC[N@H+]([C@H](C)c2cnc(C)cn2)CC1 ZINC001195966557 1368524771 /nfs/dbraw/zinc/52/47/71/1368524771.db2.gz LENCHFPVXYWRBF-QGZVFWFLSA-N 1 2 342.487 3.149 20 30 EGEDLO C=CCCCC(=O)N(C)CCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001112166667 1368694594 /nfs/dbraw/zinc/69/45/94/1368694594.db2.gz FGSWGGIFWAYIRK-UHFFFAOYSA-N 1 2 330.476 3.303 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001196880993 1368705953 /nfs/dbraw/zinc/70/59/53/1368705953.db2.gz OQUCAXVLUXTABZ-INIZCTEOSA-N 1 2 343.446 3.334 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001196880993 1368705955 /nfs/dbraw/zinc/70/59/55/1368705955.db2.gz OQUCAXVLUXTABZ-INIZCTEOSA-N 1 2 343.446 3.334 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@H+](Cc2nc(C)c(C)s2)CC1 ZINC001196889215 1368707457 /nfs/dbraw/zinc/70/74/57/1368707457.db2.gz AKXXECGRAHVOBL-INIZCTEOSA-N 1 2 335.517 3.397 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@@H+](Cc2nc(C)c(C)s2)CC1 ZINC001196889215 1368707462 /nfs/dbraw/zinc/70/74/62/1368707462.db2.gz AKXXECGRAHVOBL-INIZCTEOSA-N 1 2 335.517 3.397 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@H+](Cc2nc3ccccc3o2)CC1 ZINC001196900175 1368709991 /nfs/dbraw/zinc/70/99/91/1368709991.db2.gz AUSZRVIGEWZNOH-INIZCTEOSA-N 1 2 341.455 3.464 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@@H+](Cc2nc3ccccc3o2)CC1 ZINC001196900175 1368709994 /nfs/dbraw/zinc/70/99/94/1368709994.db2.gz AUSZRVIGEWZNOH-INIZCTEOSA-N 1 2 341.455 3.464 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[N@H+](Cc2nc(C)sc2C)CC1 ZINC001196902320 1368710820 /nfs/dbraw/zinc/71/08/20/1368710820.db2.gz XOGJTBKFZCTVOT-MRXNPFEDSA-N 1 2 335.517 3.397 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[N@@H+](Cc2nc(C)sc2C)CC1 ZINC001196902320 1368710824 /nfs/dbraw/zinc/71/08/24/1368710824.db2.gz XOGJTBKFZCTVOT-MRXNPFEDSA-N 1 2 335.517 3.397 20 30 EGEDLO C=CCCCC(=O)N1C[C@@H](C)[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001112336696 1368774357 /nfs/dbraw/zinc/77/43/57/1368774357.db2.gz SDOYIHITMAPAAF-CJNGLKHVSA-N 1 2 328.460 3.278 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CCN(c3cc[nH+]c(C)n3)C[C@@H]2C)CCCC1 ZINC001112416327 1368833765 /nfs/dbraw/zinc/83/37/65/1368833765.db2.gz AZZORZSLHJAQJU-RDJZCZTQSA-N 1 2 342.487 3.253 20 30 EGEDLO CC[C@@H](C)[C@H](C)C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001197586428 1368845365 /nfs/dbraw/zinc/84/53/65/1368845365.db2.gz GJGTYEBBUDUXPX-MSOLQXFVSA-N 1 2 344.474 3.394 20 30 EGEDLO CC[C@@H](C)[C@H](C)C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001197586428 1368845368 /nfs/dbraw/zinc/84/53/68/1368845368.db2.gz GJGTYEBBUDUXPX-MSOLQXFVSA-N 1 2 344.474 3.394 20 30 EGEDLO CC[C@@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001197586236 1368846395 /nfs/dbraw/zinc/84/63/95/1368846395.db2.gz DGHLCHNKMBLJJY-CVEARBPZSA-N 1 2 345.462 3.414 20 30 EGEDLO CC[C@@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001197586236 1368846396 /nfs/dbraw/zinc/84/63/96/1368846396.db2.gz DGHLCHNKMBLJJY-CVEARBPZSA-N 1 2 345.462 3.414 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCN(c2nc(C)[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001112476559 1368874982 /nfs/dbraw/zinc/87/49/82/1368874982.db2.gz KSTSXQYGSCCDDQ-GDBMZVCRSA-N 1 2 342.487 3.104 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H](C)C1 ZINC001112495273 1368891069 /nfs/dbraw/zinc/89/10/69/1368891069.db2.gz PZWJYWLBFOTNND-GUYCJALGSA-N 1 2 330.476 3.232 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001112633120 1368962991 /nfs/dbraw/zinc/96/29/91/1368962991.db2.gz CLTUQSJZKYGNNR-LPHOPBHVSA-N 1 2 330.476 3.205 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC(CN(CC)c2cc[nH+]c(C)n2)CC1 ZINC001112687011 1368981182 /nfs/dbraw/zinc/98/11/82/1368981182.db2.gz NUTJESZJQTZMNI-HOTGVXAUSA-N 1 2 344.503 3.308 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1cc[nH+]c(C)n1 ZINC001112776512 1368997104 /nfs/dbraw/zinc/99/71/04/1368997104.db2.gz YDCJQXZQQLDGTI-WIYYLYMNSA-N 1 2 348.450 3.173 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1cc[nH+]c(C)n1 ZINC001112777184 1368997463 /nfs/dbraw/zinc/99/74/63/1368997463.db2.gz JXVYVWGJCUZSHX-YLJYHZDGSA-N 1 2 336.439 3.335 20 30 EGEDLO CC#CCCCC(=O)N1CCC[C@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001112803639 1369014849 /nfs/dbraw/zinc/01/48/49/1369014849.db2.gz KEQGJPKPFCSBSX-SFHVURJKSA-N 1 2 342.487 3.023 20 30 EGEDLO C=CC(C)(C)C(=O)NC1CC(CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001112864018 1369055101 /nfs/dbraw/zinc/05/51/01/1369055101.db2.gz MZFLTJCKXHMDCC-UHFFFAOYSA-N 1 2 330.476 3.427 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[NH+](CCO[C@H]2CCCC[C@@H]2C)CC1 ZINC001112880779 1369065279 /nfs/dbraw/zinc/06/52/79/1369065279.db2.gz OQEJZGYCZLTGEG-ICSRJNTNSA-N 1 2 348.531 3.494 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)c1cc[nH]c1C)c1ccccc1OC ZINC001198648544 1369081995 /nfs/dbraw/zinc/08/19/95/1369081995.db2.gz XGNSAAZZBHVAFC-MRXNPFEDSA-N 1 2 347.846 3.145 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]([NH2+]CC(=C)Cl)c1ccccc1OC ZINC001198834812 1369125707 /nfs/dbraw/zinc/12/57/07/1369125707.db2.gz OHBWEYDXZJNDCZ-HNNXBMFYSA-N 1 2 336.863 3.407 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H](C)C(C)C)c1ccccc1OC ZINC001198925423 1369151147 /nfs/dbraw/zinc/15/11/47/1369151147.db2.gz UKMWIQBGEUXXPO-ZBFHGGJFSA-N 1 2 338.879 3.487 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H](C)C(C)C)c1ccccc1OC ZINC001198925420 1369151196 /nfs/dbraw/zinc/15/11/96/1369151196.db2.gz UKMWIQBGEUXXPO-GDBMZVCRSA-N 1 2 338.879 3.487 20 30 EGEDLO C=CCSc1ncccc1C(=O)NCCSCc1[nH]c[nH+]c1C ZINC001199739440 1369265419 /nfs/dbraw/zinc/26/54/19/1369265419.db2.gz IHAWDGJOHPTROH-UHFFFAOYSA-N 1 2 348.497 3.054 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[NH+](CCOc2c(C)cccc2C)CC1 ZINC001113247713 1369290343 /nfs/dbraw/zinc/29/03/43/1369290343.db2.gz CSIKIYLCQGUOOK-LJQANCHMSA-N 1 2 344.499 3.429 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[NH+](CCOc2cccc(CC)c2)CC1 ZINC001113248435 1369290709 /nfs/dbraw/zinc/29/07/09/1369290709.db2.gz ZEXYWFDVSYAKBZ-GOSISDBHSA-N 1 2 344.499 3.374 20 30 EGEDLO CCCCCCC[NH+]1CCN(C(=O)[C@H]2C[C@H](C)Cc3c[nH]nc32)CC1 ZINC001113257081 1369296297 /nfs/dbraw/zinc/29/62/97/1369296297.db2.gz OZORZWDCJHEDMA-AEFFLSMTSA-N 1 2 346.519 3.190 20 30 EGEDLO CC#CCCCC(=O)N[C@H](C)[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001113262584 1369299278 /nfs/dbraw/zinc/29/92/78/1369299278.db2.gz VKHJQHWVMKHVTF-LSDHHAIUSA-N 1 2 328.460 3.161 20 30 EGEDLO CCCCCCCCCCNC(=S)N[C@H]1CC[N@@H+](C2COC2)C1 ZINC001200217306 1369329860 /nfs/dbraw/zinc/32/98/60/1369329860.db2.gz IDVCHTQQCVBPGH-INIZCTEOSA-N 1 2 341.565 3.064 20 30 EGEDLO CCCCCCCCCCNC(=S)N[C@H]1CC[N@H+](C2COC2)C1 ZINC001200217306 1369329865 /nfs/dbraw/zinc/32/98/65/1369329865.db2.gz IDVCHTQQCVBPGH-INIZCTEOSA-N 1 2 341.565 3.064 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccc(COC)cc3)CC2)CCC1 ZINC001113312579 1369339344 /nfs/dbraw/zinc/33/93/44/1369339344.db2.gz CNTKSGHDLFTANM-UHFFFAOYSA-N 1 2 342.483 3.224 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[NH+](Cc2cccc(COC)c2)CC1 ZINC001113388513 1369389531 /nfs/dbraw/zinc/38/95/31/1369389531.db2.gz AGTCKPJYENZKRK-UHFFFAOYSA-N 1 2 330.472 3.080 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[NH+](CCOc2cc(C)cc(C)c2)CC1 ZINC001113390570 1369392145 /nfs/dbraw/zinc/39/21/45/1369392145.db2.gz JIFRPPSEHOXHJX-UHFFFAOYSA-N 1 2 344.499 3.429 20 30 EGEDLO Cc1cc(NC(=S)Nc2ccc(C#N)cc2Br)cc[nH+]1 ZINC001201114861 1369482886 /nfs/dbraw/zinc/48/28/86/1369482886.db2.gz ZMLNIEGQVYIQLN-UHFFFAOYSA-N 1 2 347.241 3.255 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CN(c2nc(C)[nH+]c(C)c2C)CC[C@H]1C ZINC001114040174 1369697974 /nfs/dbraw/zinc/69/79/74/1369697974.db2.gz SRAWPJJINWVECC-DYVFJYSZSA-N 1 2 330.476 3.089 20 30 EGEDLO Cc1cc(NCC2(NC(=O)[C@@H](C)C#N)CCCCC2)nc(C2CC2)[nH+]1 ZINC001114150629 1369764458 /nfs/dbraw/zinc/76/44/58/1369764458.db2.gz OUPOJSBCHIJKTI-ZDUSSCGKSA-N 1 2 341.459 3.053 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001114353433 1369907925 /nfs/dbraw/zinc/90/79/25/1369907925.db2.gz RYQNGQBGYSMSTA-BSXFFOKHSA-N 1 2 345.487 3.436 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001114353433 1369907927 /nfs/dbraw/zinc/90/79/27/1369907927.db2.gz RYQNGQBGYSMSTA-BSXFFOKHSA-N 1 2 345.487 3.436 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H]2CN(c3cc[nH+]c(C)n3)C[C@H]2C1 ZINC001114660032 1370012400 /nfs/dbraw/zinc/01/24/00/1370012400.db2.gz KPALEYIPKVKQJK-BRWVUGGUSA-N 1 2 342.487 3.108 20 30 EGEDLO C#CCCCC(=O)N1C[C@@H](CNc2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001114685329 1370024474 /nfs/dbraw/zinc/02/44/74/1370024474.db2.gz SUOSDZQVAVUNME-IAGOWNOFSA-N 1 2 342.487 3.361 20 30 EGEDLO C#CCCCCCC(=O)N1C[C@H](CNc2cc[nH+]c(C)n2)C[C@H]1C ZINC001114698108 1370033748 /nfs/dbraw/zinc/03/37/48/1370033748.db2.gz WTWPKWAEHZTWON-WBVHZDCISA-N 1 2 328.460 3.018 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC001114722351 1370046106 /nfs/dbraw/zinc/04/61/06/1370046106.db2.gz GKQKGEMHPIOGHZ-KKBVYLPWSA-N 1 2 345.512 3.169 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC001114722351 1370046110 /nfs/dbraw/zinc/04/61/10/1370046110.db2.gz GKQKGEMHPIOGHZ-KKBVYLPWSA-N 1 2 345.512 3.169 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001114780509 1370076769 /nfs/dbraw/zinc/07/67/69/1370076769.db2.gz IOGLRVRAYRLOSZ-VYPVPOJWSA-N 1 2 345.487 3.121 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001114780509 1370076778 /nfs/dbraw/zinc/07/67/78/1370076778.db2.gz IOGLRVRAYRLOSZ-VYPVPOJWSA-N 1 2 345.487 3.121 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC001114791961 1370082709 /nfs/dbraw/zinc/08/27/09/1370082709.db2.gz MJYRLZSUYFGPMO-MKSNKDDYSA-N 1 2 345.512 3.169 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC001114791961 1370082713 /nfs/dbraw/zinc/08/27/13/1370082713.db2.gz MJYRLZSUYFGPMO-MKSNKDDYSA-N 1 2 345.512 3.169 20 30 EGEDLO C=CCCC1(C(=O)NC2[C@H]3C[N@@H+](C/C(Cl)=C/Cl)C[C@@H]23)CC1 ZINC001114794835 1370084622 /nfs/dbraw/zinc/08/46/22/1370084622.db2.gz QRTOJSWQRJXMLF-JGVMYJEKSA-N 1 2 329.271 3.098 20 30 EGEDLO C=CCCC1(C(=O)NC2[C@H]3C[N@H+](C/C(Cl)=C/Cl)C[C@@H]23)CC1 ZINC001114794835 1370084624 /nfs/dbraw/zinc/08/46/24/1370084624.db2.gz QRTOJSWQRJXMLF-JGVMYJEKSA-N 1 2 329.271 3.098 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ncc(C(C)C)o4)C[C@H]32)CC1 ZINC001114797656 1370086601 /nfs/dbraw/zinc/08/66/01/1370086601.db2.gz WTJBESLGANHPQN-HWWDLCQESA-N 1 2 343.471 3.091 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ncc(C(C)C)o4)C[C@H]32)CC1 ZINC001114797656 1370086603 /nfs/dbraw/zinc/08/66/03/1370086603.db2.gz WTJBESLGANHPQN-HWWDLCQESA-N 1 2 343.471 3.091 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001114910848 1370144088 /nfs/dbraw/zinc/14/40/88/1370144088.db2.gz XBXRJZLPMUPNLA-NWGLXNPWSA-N 1 2 344.886 3.030 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001114910848 1370144091 /nfs/dbraw/zinc/14/40/91/1370144091.db2.gz XBXRJZLPMUPNLA-NWGLXNPWSA-N 1 2 344.886 3.030 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(CC)(CC)CC ZINC001115023599 1370219461 /nfs/dbraw/zinc/21/94/61/1370219461.db2.gz XBUDEPBUUBEBSQ-WDNDVIMCSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(CC)(CC)CC ZINC001115023599 1370219463 /nfs/dbraw/zinc/21/94/63/1370219463.db2.gz XBUDEPBUUBEBSQ-WDNDVIMCSA-N 1 2 343.309 3.158 20 30 EGEDLO CC[C@H]1C[N@H+](Cc2cccc(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC001203762738 1370254807 /nfs/dbraw/zinc/25/48/07/1370254807.db2.gz PWELIXUAGULZHY-KRWDZBQOSA-N 1 2 329.444 3.390 20 30 EGEDLO CC[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC001203762738 1370254817 /nfs/dbraw/zinc/25/48/17/1370254817.db2.gz PWELIXUAGULZHY-KRWDZBQOSA-N 1 2 329.444 3.390 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)CC(C)C ZINC001115108474 1370284743 /nfs/dbraw/zinc/28/47/43/1370284743.db2.gz NGVGLSHXBBPCSF-YYWXWVFPSA-N 1 2 343.309 3.014 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)CC(C)C ZINC001115108474 1370284748 /nfs/dbraw/zinc/28/47/48/1370284748.db2.gz NGVGLSHXBBPCSF-YYWXWVFPSA-N 1 2 343.309 3.014 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(OCC)cc1 ZINC001203967711 1370334834 /nfs/dbraw/zinc/33/48/34/1370334834.db2.gz QLJQWOKQFCAPKD-IBGZPJMESA-N 1 2 341.455 3.121 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(OCC)cc1 ZINC001203967711 1370334836 /nfs/dbraw/zinc/33/48/36/1370334836.db2.gz QLJQWOKQFCAPKD-IBGZPJMESA-N 1 2 341.455 3.121 20 30 EGEDLO CCC(C)(CC)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001115266793 1370346106 /nfs/dbraw/zinc/34/61/06/1370346106.db2.gz YQYVDKRNKJOZOQ-PIIMJCKOSA-N 1 2 343.446 3.070 20 30 EGEDLO CCC(C)(CC)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001115266793 1370346115 /nfs/dbraw/zinc/34/61/15/1370346115.db2.gz YQYVDKRNKJOZOQ-PIIMJCKOSA-N 1 2 343.446 3.070 20 30 EGEDLO C[C@@H]1CN(c2ccc(Nc3ccc(C#N)c(F)c3)c[nH+]2)C[C@H](C)O1 ZINC001204037218 1370355792 /nfs/dbraw/zinc/35/57/92/1370355792.db2.gz UJPQGHDUSFHINS-BETUJISGSA-N 1 2 326.375 3.450 20 30 EGEDLO C#CCCCCCC(=O)N(C)[C@H](CNc1cc[nH+]c(C)n1)C1CC1 ZINC001115562422 1370562323 /nfs/dbraw/zinc/56/23/23/1370562323.db2.gz WOZUHMHNPRETSP-QGZVFWFLSA-N 1 2 328.460 3.018 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC2CCCC2)C1 ZINC001205815431 1370880259 /nfs/dbraw/zinc/88/02/59/1370880259.db2.gz MXURKFHRNHRREE-IUODEOHRSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC2CCCC2)C1 ZINC001205815431 1370880264 /nfs/dbraw/zinc/88/02/64/1370880264.db2.gz MXURKFHRNHRREE-IUODEOHRSA-N 1 2 343.309 3.302 20 30 EGEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC001116397073 1370902831 /nfs/dbraw/zinc/90/28/31/1370902831.db2.gz ZRCFWEVKJAPJPH-UHFFFAOYSA-N 1 2 349.645 3.167 20 30 EGEDLO C#CCOCC[N@H+](C)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC001116397073 1370902834 /nfs/dbraw/zinc/90/28/34/1370902834.db2.gz ZRCFWEVKJAPJPH-UHFFFAOYSA-N 1 2 349.645 3.167 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)CCC)C1 ZINC001206502125 1371075126 /nfs/dbraw/zinc/07/51/26/1371075126.db2.gz MFTXCEKMQZLNLN-YRGRVCCFSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)CCC)C1 ZINC001206502125 1371075131 /nfs/dbraw/zinc/07/51/31/1371075131.db2.gz MFTXCEKMQZLNLN-YRGRVCCFSA-N 1 2 331.298 3.158 20 30 EGEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc(F)cc1CC#N ZINC001206526007 1371083933 /nfs/dbraw/zinc/08/39/33/1371083933.db2.gz GCYCTMSWFLKTDD-UHFFFAOYSA-N 1 2 340.398 3.400 20 30 EGEDLO CC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206909190 1371219086 /nfs/dbraw/zinc/21/90/86/1371219086.db2.gz YODKSTMQZIWROP-HBUWYVDXSA-N 1 2 331.435 3.070 20 30 EGEDLO CC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206909190 1371219089 /nfs/dbraw/zinc/21/90/89/1371219089.db2.gz YODKSTMQZIWROP-HBUWYVDXSA-N 1 2 331.435 3.070 20 30 EGEDLO N#Cc1cccc(O[C@H]2CCC[N@H+](Cc3ncc4ccccn43)C2)c1 ZINC001207058401 1371280841 /nfs/dbraw/zinc/28/08/41/1371280841.db2.gz XLMKCWKSCHQOJQ-IBGZPJMESA-N 1 2 332.407 3.249 20 30 EGEDLO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3ncc4ccccn43)C2)c1 ZINC001207058401 1371280846 /nfs/dbraw/zinc/28/08/46/1371280846.db2.gz XLMKCWKSCHQOJQ-IBGZPJMESA-N 1 2 332.407 3.249 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccnn1C(C)C)CCO2 ZINC001207172420 1371321102 /nfs/dbraw/zinc/32/11/02/1371321102.db2.gz CAFGEOYDSXPZBM-PKOBYXMFSA-N 1 2 333.476 3.038 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccnn1C(C)C)CCO2 ZINC001207172420 1371321105 /nfs/dbraw/zinc/32/11/05/1371321105.db2.gz CAFGEOYDSXPZBM-PKOBYXMFSA-N 1 2 333.476 3.038 20 30 EGEDLO C=CCN(CC[N@H+]1Cc2ccc(OC)cc2C1)C(=O)OC(C)(C)C ZINC001207205141 1371328834 /nfs/dbraw/zinc/32/88/34/1371328834.db2.gz FMZAWPWEOVJODA-UHFFFAOYSA-N 1 2 332.444 3.434 20 30 EGEDLO C=CCN(CC[N@@H+]1Cc2ccc(OC)cc2C1)C(=O)OC(C)(C)C ZINC001207205141 1371328837 /nfs/dbraw/zinc/32/88/37/1371328837.db2.gz FMZAWPWEOVJODA-UHFFFAOYSA-N 1 2 332.444 3.434 20 30 EGEDLO N#Cc1ccsc1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC001207286580 1371351960 /nfs/dbraw/zinc/35/19/60/1371351960.db2.gz MKENNMVIRFTBFB-UHFFFAOYSA-N 1 2 337.408 3.186 20 30 EGEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cncc(C#N)c1 ZINC001119824415 1371410186 /nfs/dbraw/zinc/41/01/86/1371410186.db2.gz XRZNYWHSOZNLBQ-KSZLIROESA-N 1 2 341.455 3.428 20 30 EGEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cncc(C#N)c1 ZINC001119824415 1371410189 /nfs/dbraw/zinc/41/01/89/1371410189.db2.gz XRZNYWHSOZNLBQ-KSZLIROESA-N 1 2 341.455 3.428 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C(CC)CC)C1 ZINC001207767590 1371499024 /nfs/dbraw/zinc/49/90/24/1371499024.db2.gz ZYOGJKVZOFAUHG-UXIGCNINSA-N 1 2 345.325 3.404 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C(CC)CC)C1 ZINC001207767590 1371499029 /nfs/dbraw/zinc/49/90/29/1371499029.db2.gz ZYOGJKVZOFAUHG-UXIGCNINSA-N 1 2 345.325 3.404 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001208387705 1371748344 /nfs/dbraw/zinc/74/83/44/1371748344.db2.gz AHQBQUXKRPGJFH-SQWLQELKSA-N 1 2 335.879 3.274 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001208387705 1371748347 /nfs/dbraw/zinc/74/83/47/1371748347.db2.gz AHQBQUXKRPGJFH-SQWLQELKSA-N 1 2 335.879 3.274 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ncc(C(C)C)o2)C[C@H]1C ZINC001208390733 1371749177 /nfs/dbraw/zinc/74/91/77/1371749177.db2.gz BILYILPNDBRKQB-BZUAXINKSA-N 1 2 333.476 3.337 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C(C)C)o2)C[C@H]1C ZINC001208390733 1371749182 /nfs/dbraw/zinc/74/91/82/1371749182.db2.gz BILYILPNDBRKQB-BZUAXINKSA-N 1 2 333.476 3.337 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001208391448 1371749808 /nfs/dbraw/zinc/74/98/08/1371749808.db2.gz NVPQVAFGFYPWFG-IIAWOOMASA-N 1 2 335.517 3.244 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001208391448 1371749814 /nfs/dbraw/zinc/74/98/14/1371749814.db2.gz NVPQVAFGFYPWFG-IIAWOOMASA-N 1 2 335.517 3.244 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2csc(CCC)n2)C[C@H]1C ZINC001208452305 1371771344 /nfs/dbraw/zinc/77/13/44/1371771344.db2.gz FBOBSILXHJZSGO-GDBMZVCRSA-N 1 2 335.517 3.388 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2csc(CCC)n2)C[C@H]1C ZINC001208452305 1371771346 /nfs/dbraw/zinc/77/13/46/1371771346.db2.gz FBOBSILXHJZSGO-GDBMZVCRSA-N 1 2 335.517 3.388 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC001209184122 1372028340 /nfs/dbraw/zinc/02/83/40/1372028340.db2.gz QUFUCVKTTOUNAZ-HUUCEWRRSA-N 1 2 348.491 3.050 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@@H]([NH2+][C@H](C)c3nc(CC)no3)C2)CCC1 ZINC001209484860 1372118638 /nfs/dbraw/zinc/11/86/38/1372118638.db2.gz LVHNOEHLHNUBLK-HUUCEWRRSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H]1CSC ZINC001122536932 1372269303 /nfs/dbraw/zinc/26/93/03/1372269303.db2.gz ODNYYQIKWZSOLJ-JKSUJKDBSA-N 1 2 349.548 3.343 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H]1CSC ZINC001122536932 1372269307 /nfs/dbraw/zinc/26/93/07/1372269307.db2.gz ODNYYQIKWZSOLJ-JKSUJKDBSA-N 1 2 349.548 3.343 20 30 EGEDLO CC1(C)CC(=O)C=C(Nc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001210151528 1372283096 /nfs/dbraw/zinc/28/30/96/1372283096.db2.gz LIJVUBDXQHUWPR-UHFFFAOYSA-N 1 2 344.455 3.083 20 30 EGEDLO Cc1cc(N[C@@H]2CCN(C(=O)C#CC(C)(C)C)[C@H]2C)nc(C2CC2)[nH+]1 ZINC001122977101 1372353089 /nfs/dbraw/zinc/35/30/89/1372353089.db2.gz HBELDVRBXGALPS-GOEBONIOSA-N 1 2 340.471 3.113 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@H]1C ZINC001123660841 1372545727 /nfs/dbraw/zinc/54/57/27/1372545727.db2.gz HHYXFKBPOPQOIE-WMZOPIPTSA-N 1 2 342.487 3.069 20 30 EGEDLO C#CCCCCCC(=O)N[C@H](CNc1cc[nH+]c(C)n1)C(C)(C)C ZINC001126044958 1372918658 /nfs/dbraw/zinc/91/86/58/1372918658.db2.gz SFGNUYHWZYLQBK-MRXNPFEDSA-N 1 2 330.476 3.312 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H](C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001126649802 1372991225 /nfs/dbraw/zinc/99/12/25/1372991225.db2.gz UDNFKRQXIDPMDA-CQSZACIVSA-N 1 2 330.476 3.108 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NC1(C2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC001127141587 1373097249 /nfs/dbraw/zinc/09/72/49/1373097249.db2.gz XINSZRTXGKACPN-HUUCEWRRSA-N 1 2 342.487 3.108 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NC1(C2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC001127141581 1373097356 /nfs/dbraw/zinc/09/73/56/1373097356.db2.gz XINSZRTXGKACPN-GJZGRUSLSA-N 1 2 342.487 3.108 20 30 EGEDLO C=C1CC(C)(C(=O)NCC2=CCN(c3nc(C)[nH+]c(C)c3C)CC2)C1 ZINC001127762451 1373176228 /nfs/dbraw/zinc/17/62/28/1373176228.db2.gz QZAQAEJTAHCDFI-UHFFFAOYSA-N 1 2 340.471 3.011 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@H](C)CC)c2C1 ZINC001128202377 1373233440 /nfs/dbraw/zinc/23/34/40/1373233440.db2.gz GAFQZMZQWITZNC-MRXNPFEDSA-N 1 2 334.508 3.331 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@H](C)CC)c2C1 ZINC001128202377 1373233442 /nfs/dbraw/zinc/23/34/42/1373233442.db2.gz GAFQZMZQWITZNC-MRXNPFEDSA-N 1 2 334.508 3.331 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)/C=C\C3CC3)c2C1 ZINC001128295447 1373247765 /nfs/dbraw/zinc/24/77/65/1373247765.db2.gz PYSPILPPZOIUTF-KTKRTIGZSA-N 1 2 342.487 3.028 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)/C=C\C3CC3)c2C1 ZINC001128295447 1373247770 /nfs/dbraw/zinc/24/77/70/1373247770.db2.gz PYSPILPPZOIUTF-KTKRTIGZSA-N 1 2 342.487 3.028 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCc1cnn2c1C[N@H+](CCCCCC)CC2 ZINC001128463512 1373272713 /nfs/dbraw/zinc/27/27/13/1373272713.db2.gz LIALHZDDJYRYCE-QGZVFWFLSA-N 1 2 346.519 3.498 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCc1cnn2c1C[N@@H+](CCCCCC)CC2 ZINC001128463512 1373272718 /nfs/dbraw/zinc/27/27/18/1373272718.db2.gz LIALHZDDJYRYCE-QGZVFWFLSA-N 1 2 346.519 3.498 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)C[C@@H]3C[C@H]3C)c2C1 ZINC001128475653 1373274521 /nfs/dbraw/zinc/27/45/21/1373274521.db2.gz FDZVYMGQWNAEOL-SJORKVTESA-N 1 2 346.519 3.331 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)C[C@@H]3C[C@H]3C)c2C1 ZINC001128475653 1373274525 /nfs/dbraw/zinc/27/45/25/1373274525.db2.gz FDZVYMGQWNAEOL-SJORKVTESA-N 1 2 346.519 3.331 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)CC(C)(C)C)CC[C@H]1C ZINC001131817749 1373821546 /nfs/dbraw/zinc/82/15/46/1373821546.db2.gz QPRYIZQXNADGAW-OLZOCXBDSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)CC(C)(C)C)CC[C@H]1C ZINC001131817749 1373821550 /nfs/dbraw/zinc/82/15/50/1373821550.db2.gz QPRYIZQXNADGAW-OLZOCXBDSA-N 1 2 331.298 3.300 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001131896943 1375033971 /nfs/dbraw/zinc/03/39/71/1375033971.db2.gz XQIPYPPRDXVFDV-DZGCQCFKSA-N 1 2 336.863 3.481 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC001131896943 1375033974 /nfs/dbraw/zinc/03/39/74/1375033974.db2.gz XQIPYPPRDXVFDV-DZGCQCFKSA-N 1 2 336.863 3.481 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)/C=C/C2CC2)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC001131943107 1375059160 /nfs/dbraw/zinc/05/91/60/1375059160.db2.gz KFOFBHYKLCUEQV-OSWGVKHYSA-N 1 2 341.430 3.133 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)/C=C/C2CC2)C[N@H+]1Cc1cc(F)ccc1C#N ZINC001131943107 1375059161 /nfs/dbraw/zinc/05/91/61/1375059161.db2.gz KFOFBHYKLCUEQV-OSWGVKHYSA-N 1 2 341.430 3.133 20 30 EGEDLO C/C=C(/C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131950356 1375065453 /nfs/dbraw/zinc/06/54/53/1375065453.db2.gz KZZJFQNIOPUGRG-ZMTZREKASA-N 1 2 329.419 3.133 20 30 EGEDLO C/C=C(/C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131950356 1375065460 /nfs/dbraw/zinc/06/54/60/1375065460.db2.gz KZZJFQNIOPUGRG-ZMTZREKASA-N 1 2 329.419 3.133 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001131961467 1375071857 /nfs/dbraw/zinc/07/18/57/1375071857.db2.gz VMCFWMYXSOVZPR-XJKSGUPXSA-N 1 2 347.409 3.430 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001131961467 1375071862 /nfs/dbraw/zinc/07/18/62/1375071862.db2.gz VMCFWMYXSOVZPR-XJKSGUPXSA-N 1 2 347.409 3.430 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=C)Br)C1 ZINC001131972877 1375077967 /nfs/dbraw/zinc/07/79/67/1375077967.db2.gz VQVBQPVVHOWLPP-LSDHHAIUSA-N 1 2 341.293 3.058 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=C)Br)C1 ZINC001131972877 1375077974 /nfs/dbraw/zinc/07/79/74/1375077974.db2.gz VQVBQPVVHOWLPP-LSDHHAIUSA-N 1 2 341.293 3.058 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2c(F)cccc2F)C1 ZINC001132017737 1375100808 /nfs/dbraw/zinc/10/08/08/1375100808.db2.gz RXGMRUDNWLQZTE-HUUCEWRRSA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2c(F)cccc2F)C1 ZINC001132017737 1375100811 /nfs/dbraw/zinc/10/08/11/1375100811.db2.gz RXGMRUDNWLQZTE-HUUCEWRRSA-N 1 2 334.410 3.093 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1cc(C2CC2)no1 ZINC001132039267 1375112106 /nfs/dbraw/zinc/11/21/06/1375112106.db2.gz XUQKOWXMFZGLQY-ZBFHGGJFSA-N 1 2 343.471 3.071 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1cc(C2CC2)no1 ZINC001132039267 1375112110 /nfs/dbraw/zinc/11/21/10/1375112110.db2.gz XUQKOWXMFZGLQY-ZBFHGGJFSA-N 1 2 343.471 3.071 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2(CCOCC)CCC2)CC[C@@H]1C ZINC001132050871 1375118597 /nfs/dbraw/zinc/11/85/97/1375118597.db2.gz VCVGCQZASKRBLW-JKSUJKDBSA-N 1 2 342.911 3.305 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2(CCOCC)CCC2)CC[C@@H]1C ZINC001132050871 1375118598 /nfs/dbraw/zinc/11/85/98/1375118598.db2.gz VCVGCQZASKRBLW-JKSUJKDBSA-N 1 2 342.911 3.305 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cncc(F)c2)C1 ZINC001132056656 1375122122 /nfs/dbraw/zinc/12/21/22/1375122122.db2.gz AZYFYSPJHRXPLW-KXBFYZLASA-N 1 2 345.462 3.458 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cncc(F)c2)C1 ZINC001132056656 1375122128 /nfs/dbraw/zinc/12/21/28/1375122128.db2.gz AZYFYSPJHRXPLW-KXBFYZLASA-N 1 2 345.462 3.458 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2nocc2C)C1 ZINC001132057297 1375123538 /nfs/dbraw/zinc/12/35/38/1375123538.db2.gz MOYCNRGMAKSAII-DOTOQJQBSA-N 1 2 331.460 3.221 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2nocc2C)C1 ZINC001132057297 1375123539 /nfs/dbraw/zinc/12/35/39/1375123539.db2.gz MOYCNRGMAKSAII-DOTOQJQBSA-N 1 2 331.460 3.221 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCc2ccc(F)cc2)CC[C@H]1C ZINC001132158025 1375176152 /nfs/dbraw/zinc/17/61/52/1375176152.db2.gz WJTGLFYEDFKINH-PBHICJAKSA-N 1 2 338.854 3.480 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCc2ccc(F)cc2)CC[C@H]1C ZINC001132158025 1375176156 /nfs/dbraw/zinc/17/61/56/1375176156.db2.gz WJTGLFYEDFKINH-PBHICJAKSA-N 1 2 338.854 3.480 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCc2cncc(C)c2)CC[C@H]1C ZINC001132170526 1375185952 /nfs/dbraw/zinc/18/59/52/1375185952.db2.gz ZTMVCOCMIBXOTP-WBVHZDCISA-N 1 2 335.879 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCc2cncc(C)c2)CC[C@H]1C ZINC001132170526 1375185955 /nfs/dbraw/zinc/18/59/55/1375185955.db2.gz ZTMVCOCMIBXOTP-WBVHZDCISA-N 1 2 335.879 3.044 20 30 EGEDLO CCc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c(Br)c1 ZINC001226050573 1375195507 /nfs/dbraw/zinc/19/55/07/1375195507.db2.gz IPMDDFANFGIGPE-UCHAVSLVSA-N 1 2 338.245 3.003 20 30 EGEDLO CCc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c(Br)c1 ZINC001226050573 1375195510 /nfs/dbraw/zinc/19/55/10/1375195510.db2.gz IPMDDFANFGIGPE-UCHAVSLVSA-N 1 2 338.245 3.003 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2csc(C)n2)C1 ZINC001132223618 1375221047 /nfs/dbraw/zinc/22/10/47/1375221047.db2.gz GETSUYVYHRWYQN-HOCLYGCPSA-N 1 2 333.501 3.114 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2csc(C)n2)C1 ZINC001132223618 1375221050 /nfs/dbraw/zinc/22/10/50/1375221050.db2.gz GETSUYVYHRWYQN-HOCLYGCPSA-N 1 2 333.501 3.114 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2nocc2C)C1 ZINC001132242130 1375238265 /nfs/dbraw/zinc/23/82/65/1375238265.db2.gz ZZKUXNJDWXRWBM-DLBZAZTESA-N 1 2 331.460 3.036 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2nocc2C)C1 ZINC001132242130 1375238271 /nfs/dbraw/zinc/23/82/71/1375238271.db2.gz ZZKUXNJDWXRWBM-DLBZAZTESA-N 1 2 331.460 3.036 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(=C)Cl)C2)CCOCC1 ZINC001132453140 1375395636 /nfs/dbraw/zinc/39/56/36/1375395636.db2.gz JXMWMRWRORTOAB-CVEARBPZSA-N 1 2 340.895 3.081 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(=C)Cl)C2)CCOCC1 ZINC001132453140 1375395638 /nfs/dbraw/zinc/39/56/38/1375395638.db2.gz JXMWMRWRORTOAB-CVEARBPZSA-N 1 2 340.895 3.081 20 30 EGEDLO CC(C)C#CC(=O)NC1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC001227232508 1375409744 /nfs/dbraw/zinc/40/97/44/1375409744.db2.gz DZZUSMYYJUVQHE-UHFFFAOYSA-N 1 2 336.838 3.219 20 30 EGEDLO C=CC(C)(C)CC(=O)NC1CC[NH+](Cc2nc3c(o2)CCCC3)CC1 ZINC001227570944 1375445839 /nfs/dbraw/zinc/44/58/39/1375445839.db2.gz UCZNFSYGFJRBQX-UHFFFAOYSA-N 1 2 345.487 3.236 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC(F)(F)C(F)(F)F)CC[C@H]1C ZINC001132542108 1375449539 /nfs/dbraw/zinc/44/95/39/1375449539.db2.gz NXPFIVWOIJUARC-ZJUUUORDSA-N 1 2 348.743 3.296 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC(F)(F)C(F)(F)F)CC[C@H]1C ZINC001132542108 1375449547 /nfs/dbraw/zinc/44/95/47/1375449547.db2.gz NXPFIVWOIJUARC-ZJUUUORDSA-N 1 2 348.743 3.296 20 30 EGEDLO C#CCC1(C(=O)NC2CC[NH+](Cc3ncc(C(C)C)o3)CC2)CCC1 ZINC001227754994 1375472267 /nfs/dbraw/zinc/47/22/67/1375472267.db2.gz WAAFPLBPAXNHEF-UHFFFAOYSA-N 1 2 343.471 3.072 20 30 EGEDLO COc1cc(F)c(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c(F)c1 ZINC001227896348 1375488456 /nfs/dbraw/zinc/48/84/56/1375488456.db2.gz XCQOFCCMLLNODQ-HNNXBMFYSA-N 1 2 344.361 3.498 20 30 EGEDLO COc1cc(F)c(O[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c(F)c1 ZINC001227896348 1375488459 /nfs/dbraw/zinc/48/84/59/1375488459.db2.gz XCQOFCCMLLNODQ-HNNXBMFYSA-N 1 2 344.361 3.498 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC1CC[NH+]([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC001228595973 1375610096 /nfs/dbraw/zinc/61/00/96/1375610096.db2.gz CQQZFDYQMNSYGF-AWEZNQCLSA-N 1 2 348.491 3.437 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC1CC[NH+]([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC001228801394 1375682263 /nfs/dbraw/zinc/68/22/63/1375682263.db2.gz NLBFHHGPRBMGTD-KBPBESRZSA-N 1 2 346.475 3.191 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC1CC[NH+](Cc2nc3c(o2)CCCC3)CC1 ZINC001228810306 1375684504 /nfs/dbraw/zinc/68/45/04/1375684504.db2.gz SIXVTCLNTPOFQK-HNNXBMFYSA-N 1 2 345.487 3.236 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H](C)[C@@H](C)CC)CC1 ZINC001229776784 1375892572 /nfs/dbraw/zinc/89/25/72/1375892572.db2.gz VLRUDTUBTINSBG-AAEUAGOBSA-N 1 2 331.298 3.158 20 30 EGEDLO C[C@H](C[NH+]1CCOCC1)Oc1ccccc1/C=N/c1ccccc1O ZINC001229932272 1375920434 /nfs/dbraw/zinc/92/04/34/1375920434.db2.gz BKOUNBDJQUVGKZ-ZFMLPXDISA-N 1 2 340.423 3.242 20 30 EGEDLO C=C[C@H](C(=O)NC1CC[NH+](Cc2cscn2)CC1)c1ccccc1 ZINC001230334315 1376001526 /nfs/dbraw/zinc/00/15/26/1376001526.db2.gz QDTLQMGVBQTKJZ-SFHVURJKSA-N 1 2 341.480 3.194 20 30 EGEDLO C#C[C@H]1CCC[C@@H]1Oc1ccc2c(c1)[C@H]1OCC[N@@H+](CCC)[C@@H]1CO2 ZINC001230428215 1376028485 /nfs/dbraw/zinc/02/84/85/1376028485.db2.gz VKBDIKPECRRJLL-DZJZLKLXSA-N 1 2 341.451 3.412 20 30 EGEDLO C#C[C@H]1CCC[C@@H]1Oc1ccc2c(c1)[C@H]1OCC[N@H+](CCC)[C@@H]1CO2 ZINC001230428215 1376028506 /nfs/dbraw/zinc/02/85/06/1376028506.db2.gz VKBDIKPECRRJLL-DZJZLKLXSA-N 1 2 341.451 3.412 20 30 EGEDLO CCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001230772282 1376148539 /nfs/dbraw/zinc/14/85/39/1376148539.db2.gz DXEXHVXWXFBYFG-QGZVFWFLSA-N 1 2 331.435 3.310 20 30 EGEDLO CCCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001230772282 1376148543 /nfs/dbraw/zinc/14/85/43/1376148543.db2.gz DXEXHVXWXFBYFG-QGZVFWFLSA-N 1 2 331.435 3.310 20 30 EGEDLO C/C(=C/C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F)C1CC1 ZINC001230947910 1376186220 /nfs/dbraw/zinc/18/62/20/1376186220.db2.gz ILRDBVWKYWWKMP-GIIHOQTISA-N 1 2 341.430 3.086 20 30 EGEDLO C/C(=C/C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1F)C1CC1 ZINC001230947910 1376186227 /nfs/dbraw/zinc/18/62/27/1376186227.db2.gz ILRDBVWKYWWKMP-GIIHOQTISA-N 1 2 341.430 3.086 20 30 EGEDLO CC(C)[C@@H](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001231112840 1376205724 /nfs/dbraw/zinc/20/57/24/1376205724.db2.gz FVXSBWORRVFFGC-MAUKXSAKSA-N 1 2 345.462 3.412 20 30 EGEDLO CC(C)[C@@H](C)CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001231112840 1376205726 /nfs/dbraw/zinc/20/57/26/1376205726.db2.gz FVXSBWORRVFFGC-MAUKXSAKSA-N 1 2 345.462 3.412 20 30 EGEDLO C=C[C@@H](COC)[NH2+]Cc1nc(N(C)C)n(-c2ccc(C)cc2)c1Cl ZINC001327186715 1388429475 /nfs/dbraw/zinc/42/94/75/1388429475.db2.gz FHWQLVOIKYCIDE-AWEZNQCLSA-N 1 2 348.878 3.191 20 30 EGEDLO COc1ccnc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)c1 ZINC001231971396 1376364973 /nfs/dbraw/zinc/36/49/73/1376364973.db2.gz AFRUOPAYKNHIFD-UHFFFAOYSA-N 1 2 325.387 3.287 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232117336 1376402289 /nfs/dbraw/zinc/40/22/89/1376402289.db2.gz WTVHNGNMBZZGAF-HNNXBMFYSA-N 1 2 333.819 3.088 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232117336 1376402294 /nfs/dbraw/zinc/40/22/94/1376402294.db2.gz WTVHNGNMBZZGAF-HNNXBMFYSA-N 1 2 333.819 3.088 20 30 EGEDLO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232678664 1376499933 /nfs/dbraw/zinc/49/99/33/1376499933.db2.gz MHWQUZUQLQVYRO-INIZCTEOSA-N 1 2 345.443 3.143 20 30 EGEDLO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232678664 1376499934 /nfs/dbraw/zinc/49/99/34/1376499934.db2.gz MHWQUZUQLQVYRO-INIZCTEOSA-N 1 2 345.443 3.143 20 30 EGEDLO CC[N@H+](Cc1cc(C#N)ccc1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232678929 1376500932 /nfs/dbraw/zinc/50/09/32/1376500932.db2.gz VDXASDLNNUAURF-INIZCTEOSA-N 1 2 345.443 3.095 20 30 EGEDLO CC[N@@H+](Cc1cc(C#N)ccc1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232678929 1376500937 /nfs/dbraw/zinc/50/09/37/1376500937.db2.gz VDXASDLNNUAURF-INIZCTEOSA-N 1 2 345.443 3.095 20 30 EGEDLO Cc1cc(C#N)ccc1C[NH+]1CC2(C1)CCCN2C(=O)OC(C)(C)C ZINC001233079786 1376565055 /nfs/dbraw/zinc/56/50/55/1376565055.db2.gz NSVXESOAWCZHPW-UHFFFAOYSA-N 1 2 341.455 3.452 20 30 EGEDLO CN(C)c1ccc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)c(F)n1 ZINC001233114809 1376572554 /nfs/dbraw/zinc/57/25/54/1376572554.db2.gz NXVOEFKDZAAMSJ-UHFFFAOYSA-N 1 2 338.430 3.344 20 30 EGEDLO CC[C@@H](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001233927086 1376738815 /nfs/dbraw/zinc/73/88/15/1376738815.db2.gz VTPVYWLNEOGYKE-RHSMWYFYSA-N 1 2 331.435 3.166 20 30 EGEDLO CC[C@@H](C)CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001233927086 1376738818 /nfs/dbraw/zinc/73/88/18/1376738818.db2.gz VTPVYWLNEOGYKE-RHSMWYFYSA-N 1 2 331.435 3.166 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(OC)c(Cl)c1 ZINC001233967232 1376745990 /nfs/dbraw/zinc/74/59/90/1376745990.db2.gz XWONYVADFXZLLK-MRXNPFEDSA-N 1 2 348.874 3.185 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(OC)c(Cl)c1 ZINC001233967232 1376745993 /nfs/dbraw/zinc/74/59/93/1376745993.db2.gz XWONYVADFXZLLK-MRXNPFEDSA-N 1 2 348.874 3.185 20 30 EGEDLO CCCc1nc(C)c(C[N@@H+]2CC[C@@H]2CN(C)C(=O)C#CC(C)(C)C)o1 ZINC001234195232 1376783765 /nfs/dbraw/zinc/78/37/65/1376783765.db2.gz JFDVDKUCSQNTHO-MRXNPFEDSA-N 1 2 345.487 3.018 20 30 EGEDLO CCCc1nc(C)c(C[N@H+]2CC[C@@H]2CN(C)C(=O)C#CC(C)(C)C)o1 ZINC001234195232 1376783772 /nfs/dbraw/zinc/78/37/72/1376783772.db2.gz JFDVDKUCSQNTHO-MRXNPFEDSA-N 1 2 345.487 3.018 20 30 EGEDLO C=CCCOCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1C/C=C\Cl ZINC001234275054 1376798563 /nfs/dbraw/zinc/79/85/63/1376798563.db2.gz ASRRIPGOCPNLJH-BSDKJSHOSA-N 1 2 328.884 3.035 20 30 EGEDLO C=CCCOCCCCC(=O)N(C)C[C@H]1CC[N@H+]1C/C=C\Cl ZINC001234275054 1376798565 /nfs/dbraw/zinc/79/85/65/1376798565.db2.gz ASRRIPGOCPNLJH-BSDKJSHOSA-N 1 2 328.884 3.035 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(F)(F)C(F)F)cc1 ZINC001135156062 1376939856 /nfs/dbraw/zinc/93/98/56/1376939856.db2.gz BHMDRTOSQGBPGP-NEPJUHHUSA-N 1 2 344.352 3.055 20 30 EGEDLO C=CC1(CC(=O)NCC[NH2+]Cc2nc(CC(C)C)no2)CCCCC1 ZINC001135190334 1376961819 /nfs/dbraw/zinc/96/18/19/1376961819.db2.gz BCTUAMMYPREMOM-UHFFFAOYSA-N 1 2 348.491 3.001 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)c(Cl)c1 ZINC001238083957 1376994860 /nfs/dbraw/zinc/99/48/60/1376994860.db2.gz DHVJMECXJMZTKS-MRXNPFEDSA-N 1 2 331.847 3.092 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)c(Cl)c1 ZINC001238083957 1376994870 /nfs/dbraw/zinc/99/48/70/1376994870.db2.gz DHVJMECXJMZTKS-MRXNPFEDSA-N 1 2 331.847 3.092 20 30 EGEDLO C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1[nH]nc2ccccc21 ZINC001264006825 1377138960 /nfs/dbraw/zinc/13/89/60/1377138960.db2.gz MLENTBVJMATRCR-OCCSQVGLSA-N 1 2 346.862 3.146 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H](CC)c2ccc(OC)cc2)C1 ZINC001266361149 1377295892 /nfs/dbraw/zinc/29/58/92/1377295892.db2.gz IHGNZMUYHRAWRB-NVXWUHKLSA-N 1 2 336.863 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)c2ccc(OC)cc2)C1 ZINC001266361149 1377295895 /nfs/dbraw/zinc/29/58/95/1377295895.db2.gz IHGNZMUYHRAWRB-NVXWUHKLSA-N 1 2 336.863 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1)C1CC1 ZINC001266614222 1377344570 /nfs/dbraw/zinc/34/45/70/1377344570.db2.gz XNNRSRDFGGAONN-ZWKOTPCHSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1)C1CC1 ZINC001266614222 1377344573 /nfs/dbraw/zinc/34/45/73/1377344573.db2.gz XNNRSRDFGGAONN-ZWKOTPCHSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)Cc1cc(F)ccc1F ZINC001266854017 1377395525 /nfs/dbraw/zinc/39/55/25/1377395525.db2.gz YGRNARIGNGLUCF-HNNXBMFYSA-N 1 2 342.817 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)Cc1cc(F)ccc1F ZINC001266854017 1377395528 /nfs/dbraw/zinc/39/55/28/1377395528.db2.gz YGRNARIGNGLUCF-HNNXBMFYSA-N 1 2 342.817 3.231 20 30 EGEDLO N#CC1(c2ccc(Br)cc2)CC[NH+](Cc2cc[nH]n2)CC1 ZINC001137130043 1377482972 /nfs/dbraw/zinc/48/29/72/1377482972.db2.gz PGRIRPVWGXOKQY-UHFFFAOYSA-N 1 2 345.244 3.230 20 30 EGEDLO C#CC[NH+](CC#C)Cc1ccc(OC(=O)c2cccs2)c(OC)c1 ZINC001137259960 1377505751 /nfs/dbraw/zinc/50/57/51/1377505751.db2.gz YOXKVLBYWVADAH-UHFFFAOYSA-N 1 2 339.416 3.044 20 30 EGEDLO COc1ccc(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)c(C#N)c1 ZINC001137705917 1377600967 /nfs/dbraw/zinc/60/09/67/1377600967.db2.gz GWGLMEOLFCIDGE-MRXNPFEDSA-N 1 2 342.361 3.092 20 30 EGEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1OC ZINC001138346090 1377706681 /nfs/dbraw/zinc/70/66/81/1377706681.db2.gz XEMQKUKORGTGSH-OAQYLSRUSA-N 1 2 337.419 3.281 20 30 EGEDLO C#CCOc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1OC ZINC001138346090 1377706684 /nfs/dbraw/zinc/70/66/84/1377706684.db2.gz XEMQKUKORGTGSH-OAQYLSRUSA-N 1 2 337.419 3.281 20 30 EGEDLO C#CC[NH+]1CCN(Cc2ccc(OCc3cccc(F)c3)cc2)CC1 ZINC001138659493 1377764599 /nfs/dbraw/zinc/76/45/99/1377764599.db2.gz FOIQTWOZZVHSOT-UHFFFAOYSA-N 1 2 338.426 3.156 20 30 EGEDLO C=C(C)COc1ccccc1C[NH+]1CCN(c2ncccc2F)CC1 ZINC001138665924 1377765081 /nfs/dbraw/zinc/76/50/81/1377765081.db2.gz CQRWKPBAULYWIM-UHFFFAOYSA-N 1 2 341.430 3.498 20 30 EGEDLO C=CCOc1ccccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C ZINC001139029148 1377819949 /nfs/dbraw/zinc/81/99/49/1377819949.db2.gz PPVSOFOTZCGXHT-IRXDYDNUSA-N 1 2 344.455 3.445 20 30 EGEDLO C=CCOc1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C ZINC001139029148 1377819951 /nfs/dbraw/zinc/81/99/51/1377819951.db2.gz PPVSOFOTZCGXHT-IRXDYDNUSA-N 1 2 344.455 3.445 20 30 EGEDLO Cc1cc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)cnc1Cl ZINC001139547462 1377902696 /nfs/dbraw/zinc/90/26/96/1377902696.db2.gz JDCFVJHCFFGWEO-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](N3Cc4ccccc4C3=O)C2)c1 ZINC001139650385 1377926520 /nfs/dbraw/zinc/92/65/20/1377926520.db2.gz DPRRGKDORVQTPV-GOSISDBHSA-N 1 2 349.409 3.318 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](N3Cc4ccccc4C3=O)C2)c1 ZINC001139650385 1377926521 /nfs/dbraw/zinc/92/65/21/1377926521.db2.gz DPRRGKDORVQTPV-GOSISDBHSA-N 1 2 349.409 3.318 20 30 EGEDLO N#Cc1c(Cl)cccc1C[NH+]1CCC(N2CCCOC2=O)CC1 ZINC001139692482 1377936251 /nfs/dbraw/zinc/93/62/51/1377936251.db2.gz ANYCJXSOWHSKKJ-UHFFFAOYSA-N 1 2 333.819 3.018 20 30 EGEDLO Cc1cc(O[C@@H]2CCC[N@H+](Cc3cccc(Cl)c3C#N)C2)ncn1 ZINC001139693262 1377936363 /nfs/dbraw/zinc/93/63/63/1377936363.db2.gz WWKBDWXHTAINDV-OAHLLOKOSA-N 1 2 342.830 3.354 20 30 EGEDLO Cc1cc(O[C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3C#N)C2)ncn1 ZINC001139693262 1377936365 /nfs/dbraw/zinc/93/63/65/1377936365.db2.gz WWKBDWXHTAINDV-OAHLLOKOSA-N 1 2 342.830 3.354 20 30 EGEDLO C#C[C@@H]1CCC[N@@H+](Cc2cc(Br)c(OC)cc2OC)C1 ZINC001139862902 1377965348 /nfs/dbraw/zinc/96/53/48/1377965348.db2.gz FAOPFSDNAVNIEJ-GFCCVEGCSA-N 1 2 338.245 3.312 20 30 EGEDLO C#C[C@@H]1CCC[N@H+](Cc2cc(Br)c(OC)cc2OC)C1 ZINC001139862902 1377965352 /nfs/dbraw/zinc/96/53/52/1377965352.db2.gz FAOPFSDNAVNIEJ-GFCCVEGCSA-N 1 2 338.245 3.312 20 30 EGEDLO C=CC[NH+]1CCN(Cc2sc(N3CCCCC3)nc2Cl)CC1 ZINC001140290255 1378041421 /nfs/dbraw/zinc/04/14/21/1378041421.db2.gz BMAWWGPKORKYMC-UHFFFAOYSA-N 1 2 340.924 3.090 20 30 EGEDLO N#Cc1ccc(C[NH+](Cc2ccc(C#N)cc2)Cc2ccncn2)cc1 ZINC001140349743 1378050446 /nfs/dbraw/zinc/05/04/46/1378050446.db2.gz QUSKOFMCOSYOOG-UHFFFAOYSA-N 1 2 339.402 3.422 20 30 EGEDLO O=C1C=C2C[N@H+](Cc3cnc(-c4ccccc4F)nc3)CC[C@H]2S1 ZINC001140400776 1378057377 /nfs/dbraw/zinc/05/73/77/1378057377.db2.gz DKYMQXAMHDTFQU-MRXNPFEDSA-N 1 2 341.411 3.057 20 30 EGEDLO O=C1C=C2C[N@@H+](Cc3cnc(-c4ccccc4F)nc3)CC[C@H]2S1 ZINC001140400776 1378057378 /nfs/dbraw/zinc/05/73/78/1378057378.db2.gz DKYMQXAMHDTFQU-MRXNPFEDSA-N 1 2 341.411 3.057 20 30 EGEDLO C=CCOCc1ncn2c1C[N@H+](Cc1cc(F)cc(OC)c1)CCC2 ZINC001140478099 1378069443 /nfs/dbraw/zinc/06/94/43/1378069443.db2.gz XLBVYNXSHZXHHZ-UHFFFAOYSA-N 1 2 345.418 3.139 20 30 EGEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1cc(F)cc(OC)c1)CCC2 ZINC001140478099 1378069444 /nfs/dbraw/zinc/06/94/44/1378069444.db2.gz XLBVYNXSHZXHHZ-UHFFFAOYSA-N 1 2 345.418 3.139 20 30 EGEDLO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(S)cc3)CC2)C1=O ZINC001274110950 1378117027 /nfs/dbraw/zinc/11/70/27/1378117027.db2.gz PCXXLZVRFSVJMH-LJQANCHMSA-N 1 2 330.497 3.366 20 30 EGEDLO C=CCN1CC[C@]2(CCC[N@H+](Cc3ccc(S)cc3)CC2)C1=O ZINC001274110950 1378117032 /nfs/dbraw/zinc/11/70/32/1378117032.db2.gz PCXXLZVRFSVJMH-LJQANCHMSA-N 1 2 330.497 3.366 20 30 EGEDLO CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@H+](Cc1cccc(C#N)c1Cl)C2 ZINC001140808158 1378147399 /nfs/dbraw/zinc/14/73/99/1378147399.db2.gz LDKZICPXDWGMHJ-KSSFIOAISA-N 1 2 347.846 3.311 20 30 EGEDLO CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@@H+](Cc1cccc(C#N)c1Cl)C2 ZINC001140808158 1378147402 /nfs/dbraw/zinc/14/74/02/1378147402.db2.gz LDKZICPXDWGMHJ-KSSFIOAISA-N 1 2 347.846 3.311 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1sc(CCC)nc1C ZINC001276000854 1378166772 /nfs/dbraw/zinc/16/67/72/1378166772.db2.gz DEBJGGLGYAXWCY-LLVKDONJSA-N 1 2 329.897 3.207 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1sc(CCC)nc1C ZINC001276000854 1378166775 /nfs/dbraw/zinc/16/67/75/1378166775.db2.gz DEBJGGLGYAXWCY-LLVKDONJSA-N 1 2 329.897 3.207 20 30 EGEDLO COc1cccc(O[C@H]2CCC[N@H+](Cc3ccc(F)cc3C#N)C2)n1 ZINC001141167540 1378258063 /nfs/dbraw/zinc/25/80/63/1378258063.db2.gz OTAKQEBOEBYDQB-KRWDZBQOSA-N 1 2 341.386 3.144 20 30 EGEDLO COc1cccc(O[C@H]2CCC[N@@H+](Cc3ccc(F)cc3C#N)C2)n1 ZINC001141167540 1378258070 /nfs/dbraw/zinc/25/80/70/1378258070.db2.gz OTAKQEBOEBYDQB-KRWDZBQOSA-N 1 2 341.386 3.144 20 30 EGEDLO COc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001141604531 1378349461 /nfs/dbraw/zinc/34/94/61/1378349461.db2.gz GSPLRASEOYMDAC-AWEZNQCLSA-N 1 2 343.370 3.488 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCCC[C@@](O)(CF)C1 ZINC001141807688 1378381395 /nfs/dbraw/zinc/38/13/95/1378381395.db2.gz YVNGPQYQSPTNQI-OAHLLOKOSA-N 1 2 341.224 3.007 20 30 EGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCCC[C@@](O)(CF)C1 ZINC001141807688 1378381397 /nfs/dbraw/zinc/38/13/97/1378381397.db2.gz YVNGPQYQSPTNQI-OAHLLOKOSA-N 1 2 341.224 3.007 20 30 EGEDLO N#Cc1ccc(Br)cc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC001141897211 1378391227 /nfs/dbraw/zinc/39/12/27/1378391227.db2.gz KHRYSDDZKFVRCB-INIZCTEOSA-N 1 2 335.245 3.323 20 30 EGEDLO N#Cc1ccc(Br)cc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC001141897211 1378391233 /nfs/dbraw/zinc/39/12/33/1378391233.db2.gz KHRYSDDZKFVRCB-INIZCTEOSA-N 1 2 335.245 3.323 20 30 EGEDLO CSc1nc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)ccc1C#N ZINC001141943757 1378396547 /nfs/dbraw/zinc/39/65/47/1378396547.db2.gz JDHKPXZLQWXKIW-UHFFFAOYSA-N 1 2 341.436 3.035 20 30 EGEDLO CSc1nc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)ccc1C#N ZINC001141943757 1378396548 /nfs/dbraw/zinc/39/65/48/1378396548.db2.gz JDHKPXZLQWXKIW-UHFFFAOYSA-N 1 2 341.436 3.035 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1F ZINC001143164336 1378551851 /nfs/dbraw/zinc/55/18/51/1378551851.db2.gz DJOVJDARLUPMQJ-CQSZACIVSA-N 1 2 334.288 3.116 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1F ZINC001143164336 1378551854 /nfs/dbraw/zinc/55/18/54/1378551854.db2.gz DJOVJDARLUPMQJ-CQSZACIVSA-N 1 2 334.288 3.116 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2)C1 ZINC001144495024 1378738307 /nfs/dbraw/zinc/73/83/07/1378738307.db2.gz LERYJGYGZSRPAQ-OAHLLOKOSA-N 1 2 338.835 3.225 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2)C1 ZINC001144495024 1378738311 /nfs/dbraw/zinc/73/83/11/1378738311.db2.gz LERYJGYGZSRPAQ-OAHLLOKOSA-N 1 2 338.835 3.225 20 30 EGEDLO N#Cc1ccc(Oc2cccc(NC(=O)CCc3[nH]cc[nH+]3)c2)nc1 ZINC001147709989 1379063436 /nfs/dbraw/zinc/06/34/36/1379063436.db2.gz NYTATZMZSUCHGN-UHFFFAOYSA-N 1 2 333.351 3.040 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1nnc(C)s1)C2 ZINC001148146489 1379124572 /nfs/dbraw/zinc/12/45/72/1379124572.db2.gz DVXOSPGRFPEVJH-ZIAGYGMSSA-N 1 2 348.516 3.044 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1nnc(C)s1)C2 ZINC001148146489 1379124573 /nfs/dbraw/zinc/12/45/73/1379124573.db2.gz DVXOSPGRFPEVJH-ZIAGYGMSSA-N 1 2 348.516 3.044 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)CCC(C)(C)C)C2)C1 ZINC001148471850 1379179450 /nfs/dbraw/zinc/17/94/50/1379179450.db2.gz UCFCFRQBSLAWHC-UHFFFAOYSA-N 1 2 343.309 3.256 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)CCC(C)(C)C)C2)C1 ZINC001148471850 1379179456 /nfs/dbraw/zinc/17/94/56/1379179456.db2.gz UCFCFRQBSLAWHC-UHFFFAOYSA-N 1 2 343.309 3.256 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCc2scnc2C)[C@H]1C ZINC001284152593 1379548032 /nfs/dbraw/zinc/54/80/32/1379548032.db2.gz IPKMVZQYLKCQHI-ZIAGYGMSSA-N 1 2 341.908 3.106 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCc2scnc2C)[C@H]1C ZINC001284152593 1379548034 /nfs/dbraw/zinc/54/80/34/1379548034.db2.gz IPKMVZQYLKCQHI-ZIAGYGMSSA-N 1 2 341.908 3.106 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@](C)(CC)CCC)C1 ZINC001150508822 1379560042 /nfs/dbraw/zinc/56/00/42/1379560042.db2.gz XBFHCUYPPYFOGX-DOTOQJQBSA-N 1 2 330.900 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@](C)(CC)CCC)C1 ZINC001150508822 1379560043 /nfs/dbraw/zinc/56/00/43/1379560043.db2.gz XBFHCUYPPYFOGX-DOTOQJQBSA-N 1 2 330.900 3.162 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001150578666 1379571820 /nfs/dbraw/zinc/57/18/20/1379571820.db2.gz DQLCYUSVMDFJLF-HZPDHXFCSA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001150578666 1379571824 /nfs/dbraw/zinc/57/18/24/1379571824.db2.gz DQLCYUSVMDFJLF-HZPDHXFCSA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C[C@@H](C)C(C)(C)C)C1 ZINC001150640235 1379584978 /nfs/dbraw/zinc/58/49/78/1379584978.db2.gz NGVZTNOASPZSET-UKRRQHHQSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C[C@@H](C)C(C)(C)C)C1 ZINC001150640235 1379584982 /nfs/dbraw/zinc/58/49/82/1379584982.db2.gz NGVZTNOASPZSET-UKRRQHHQSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)/C=C(/C)C1CC1 ZINC001152127793 1379868198 /nfs/dbraw/zinc/86/81/98/1379868198.db2.gz CKLBINLLIWEVAF-BIRHUZIMSA-N 1 2 329.282 3.078 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)/C=C(/C)C1CC1 ZINC001152127793 1379868203 /nfs/dbraw/zinc/86/82/03/1379868203.db2.gz CKLBINLLIWEVAF-BIRHUZIMSA-N 1 2 329.282 3.078 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)/C=C/C(C)(C)C ZINC001152426825 1379932696 /nfs/dbraw/zinc/93/26/96/1379932696.db2.gz VOYBDVBCAPABFO-MMQHEFTJSA-N 1 2 331.298 3.324 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)/C=C/C(C)(C)C ZINC001152426825 1379932702 /nfs/dbraw/zinc/93/27/02/1379932702.db2.gz VOYBDVBCAPABFO-MMQHEFTJSA-N 1 2 331.298 3.324 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)CCC1CCC1 ZINC001152612112 1379957543 /nfs/dbraw/zinc/95/75/43/1379957543.db2.gz VEZLSPKYMBUMQJ-CYBMUJFWSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)CCC1CCC1 ZINC001152612112 1379957545 /nfs/dbraw/zinc/95/75/45/1379957545.db2.gz VEZLSPKYMBUMQJ-CYBMUJFWSA-N 1 2 331.298 3.302 20 30 EGEDLO CCCCc1nc(C[N@H+](CC)[C@H](C)CNC(=O)C#CC2CC2)cs1 ZINC001153281116 1380048922 /nfs/dbraw/zinc/04/89/22/1380048922.db2.gz FLHNULBNOVIHBH-OAHLLOKOSA-N 1 2 347.528 3.226 20 30 EGEDLO CCCCc1nc(C[N@@H+](CC)[C@H](C)CNC(=O)C#CC2CC2)cs1 ZINC001153281116 1380048928 /nfs/dbraw/zinc/04/89/28/1380048928.db2.gz FLHNULBNOVIHBH-OAHLLOKOSA-N 1 2 347.528 3.226 20 30 EGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2csc(C#N)c2)CC1 ZINC001328001008 1388642775 /nfs/dbraw/zinc/64/27/75/1388642775.db2.gz LBROVYUTQPSEIY-GFCCVEGCSA-N 1 2 331.466 3.200 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1nc2c(o1)CCCC2 ZINC001153626063 1380106411 /nfs/dbraw/zinc/10/64/11/1380106411.db2.gz XKVXPWKJXYAEPF-OAHLLOKOSA-N 1 2 333.476 3.236 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc2c(o1)CCCC2 ZINC001153626063 1380106414 /nfs/dbraw/zinc/10/64/14/1380106414.db2.gz XKVXPWKJXYAEPF-OAHLLOKOSA-N 1 2 333.476 3.236 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2csc(CC)n2)CCC1 ZINC001153783223 1380128500 /nfs/dbraw/zinc/12/85/00/1380128500.db2.gz AGBFJSJSNFZOPW-OAHLLOKOSA-N 1 2 347.528 3.226 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2csc(CC)n2)CCC1 ZINC001153783223 1380128501 /nfs/dbraw/zinc/12/85/01/1380128501.db2.gz AGBFJSJSNFZOPW-OAHLLOKOSA-N 1 2 347.528 3.226 20 30 EGEDLO C=CCC1(C(=O)NCC[NH2+][C@H](C)c2nc(CCCC)no2)CCCC1 ZINC001153809380 1380133462 /nfs/dbraw/zinc/13/34/62/1380133462.db2.gz LFRPYGHXWVCGAU-OAHLLOKOSA-N 1 2 348.491 3.316 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC12CC2 ZINC001154009449 1380177443 /nfs/dbraw/zinc/17/74/43/1380177443.db2.gz OAWHRBFHKNICET-KGLIPLIRSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC12CC2 ZINC001154009449 1380177447 /nfs/dbraw/zinc/17/74/47/1380177447.db2.gz OAWHRBFHKNICET-KGLIPLIRSA-N 1 2 343.309 3.302 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1nc(C)sc1C ZINC001154719428 1380339664 /nfs/dbraw/zinc/33/96/64/1380339664.db2.gz BPMTUVJPNNFCGD-CQSZACIVSA-N 1 2 335.517 3.280 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc(C)sc1C ZINC001154719428 1380339667 /nfs/dbraw/zinc/33/96/67/1380339667.db2.gz BPMTUVJPNNFCGD-CQSZACIVSA-N 1 2 335.517 3.280 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C(C)(C)C1CC1 ZINC001154757241 1380346744 /nfs/dbraw/zinc/34/67/44/1380346744.db2.gz MQJGKPBTMVRTKG-CQSZACIVSA-N 1 2 345.462 3.460 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C(C)(C)C1CC1 ZINC001154757241 1380346745 /nfs/dbraw/zinc/34/67/45/1380346745.db2.gz MQJGKPBTMVRTKG-CQSZACIVSA-N 1 2 345.462 3.460 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C1CC2(CC2)C1 ZINC001155167269 1380417918 /nfs/dbraw/zinc/41/79/18/1380417918.db2.gz GROVVIAZXHULPU-CQSZACIVSA-N 1 2 343.446 3.214 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C1CC2(CC2)C1 ZINC001155167269 1380417919 /nfs/dbraw/zinc/41/79/19/1380417919.db2.gz GROVVIAZXHULPU-CQSZACIVSA-N 1 2 343.446 3.214 20 30 EGEDLO CCCCCCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1nonc1C ZINC001156548770 1380592867 /nfs/dbraw/zinc/59/28/67/1380592867.db2.gz GRENEMKISMJSIW-OAHLLOKOSA-N 1 2 338.496 3.455 20 30 EGEDLO CCCCCCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nonc1C ZINC001156548770 1380592870 /nfs/dbraw/zinc/59/28/70/1380592870.db2.gz GRENEMKISMJSIW-OAHLLOKOSA-N 1 2 338.496 3.455 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CC(C)C1 ZINC001157790848 1381034007 /nfs/dbraw/zinc/03/40/07/1381034007.db2.gz LGLHDHJCFHRFRQ-PESDSKBTSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC(C)C1 ZINC001157790848 1381034011 /nfs/dbraw/zinc/03/40/11/1381034011.db2.gz LGLHDHJCFHRFRQ-PESDSKBTSA-N 1 2 343.309 3.254 20 30 EGEDLO N#Cc1c(Cl)nccc1C(F)(F)NCCc1cn2ccccc2[nH+]1 ZINC001158141854 1381139792 /nfs/dbraw/zinc/13/97/92/1381139792.db2.gz ASKSCGLBHHPDJK-UHFFFAOYSA-N 1 2 347.756 3.136 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(C)o1 ZINC001158369469 1381220348 /nfs/dbraw/zinc/22/03/48/1381220348.db2.gz GEMWTTJJLRDYQO-DOTOQJQBSA-N 1 2 333.476 3.398 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(C)o1 ZINC001158369469 1381220352 /nfs/dbraw/zinc/22/03/52/1381220352.db2.gz GEMWTTJJLRDYQO-DOTOQJQBSA-N 1 2 333.476 3.398 20 30 EGEDLO C=CCCC(=O)NCCC1=CC[N@H+]([C@H](C)c2nc(C3CC3)no2)CC1 ZINC001159538676 1381821411 /nfs/dbraw/zinc/82/14/11/1381821411.db2.gz GUTLHLLMCCXVPE-CQSZACIVSA-N 1 2 344.459 3.113 20 30 EGEDLO C=CCCC(=O)NCCC1=CC[N@@H+]([C@H](C)c2nc(C3CC3)no2)CC1 ZINC001159538676 1381821414 /nfs/dbraw/zinc/82/14/14/1381821414.db2.gz GUTLHLLMCCXVPE-CQSZACIVSA-N 1 2 344.459 3.113 20 30 EGEDLO Cc1cc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)ccc1-n1cc[nH+]c1 ZINC001292862124 1382222294 /nfs/dbraw/zinc/22/22/94/1382222294.db2.gz HCPPEIJRPWCDDJ-HNNXBMFYSA-N 1 2 346.390 3.458 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)[C@@H](F)C(C)C)CC1 ZINC001160946845 1382247760 /nfs/dbraw/zinc/24/77/60/1382247760.db2.gz RBBOKFAJQQKWCN-AWEZNQCLSA-N 1 2 347.272 3.028 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)[C@@H](F)C(C)C)CC1 ZINC001160946845 1382247764 /nfs/dbraw/zinc/24/77/64/1382247764.db2.gz RBBOKFAJQQKWCN-AWEZNQCLSA-N 1 2 347.272 3.028 20 30 EGEDLO C=CCCCC(=O)NCCC1=CC[N@H+]([C@H](C)c2ncccn2)CC1 ZINC001161056652 1382285817 /nfs/dbraw/zinc/28/58/17/1382285817.db2.gz MVWBGWULDZRKHW-MRXNPFEDSA-N 1 2 328.460 3.032 20 30 EGEDLO C=CCCCC(=O)NCCC1=CC[N@@H+]([C@H](C)c2ncccn2)CC1 ZINC001161056652 1382285820 /nfs/dbraw/zinc/28/58/20/1382285820.db2.gz MVWBGWULDZRKHW-MRXNPFEDSA-N 1 2 328.460 3.032 20 30 EGEDLO COc1ccc(Cn2c[nH+]cc2CNc2cc(C#N)cc(C)n2)cc1 ZINC001161512667 1382427573 /nfs/dbraw/zinc/42/75/73/1382427573.db2.gz UACGNDXQPCOSLK-UHFFFAOYSA-N 1 2 333.395 3.127 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12CN(c1cc(C(C)C)[nH+]c(C)n1)CCO2 ZINC001166367579 1383416043 /nfs/dbraw/zinc/41/60/43/1383416043.db2.gz CZHLDHDICGNNMS-YLJYHZDGSA-N 1 2 345.487 3.487 20 30 EGEDLO C[NH+](C)Cc1nc(CSCCNc2cncc(CC#N)c2)cs1 ZINC001168108427 1383818384 /nfs/dbraw/zinc/81/83/84/1383818384.db2.gz NDUNBMIMMDDNTG-UHFFFAOYSA-N 1 2 347.513 3.011 20 30 EGEDLO C=CC1(CC(=O)NCCC[NH2+]Cc2noc(C3CC3)n2)CCCCC1 ZINC001168182806 1383836347 /nfs/dbraw/zinc/83/63/47/1383836347.db2.gz NINWQPVCEHHMCF-UHFFFAOYSA-N 1 2 346.475 3.070 20 30 EGEDLO C[C@H](NC(=O)c1ccc(CC#N)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001306755343 1383902861 /nfs/dbraw/zinc/90/28/61/1383902861.db2.gz VZUNVORXPFODMX-HNNXBMFYSA-N 1 2 330.391 3.429 20 30 EGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CCc2c(F)cccc2F)CC1 ZINC001307545163 1384000264 /nfs/dbraw/zinc/00/02/64/1384000264.db2.gz FLRJXEISKBTHNW-FQEVSTJZSA-N 1 2 341.405 3.390 20 30 EGEDLO Cc1ccc(NCc2ccc(C#N)s2)c(C[NH+]2CCOCC2)c1 ZINC001170201848 1384262770 /nfs/dbraw/zinc/26/27/70/1384262770.db2.gz NVAOGHYZXCNYDO-UHFFFAOYSA-N 1 2 327.453 3.373 20 30 EGEDLO N#CC1(c2ccccc2)CCC([N@H+]2CC(F)(F)CC[C@@H]2CO)CC1 ZINC001170378915 1384303220 /nfs/dbraw/zinc/30/32/20/1384303220.db2.gz NOEWAAPYBDXKRX-LXPRWKDFSA-N 1 2 334.410 3.483 20 30 EGEDLO N#CC1(c2ccccc2)CCC([N@@H+]2CC(F)(F)CC[C@@H]2CO)CC1 ZINC001170378915 1384303223 /nfs/dbraw/zinc/30/32/23/1384303223.db2.gz NOEWAAPYBDXKRX-LXPRWKDFSA-N 1 2 334.410 3.483 20 30 EGEDLO N#CC1(c2ccccc2)CCC([N@H+]2CC(F)(F)CC[C@H]2CO)CC1 ZINC001170378914 1384303685 /nfs/dbraw/zinc/30/36/85/1384303685.db2.gz NOEWAAPYBDXKRX-ADKAHSJRSA-N 1 2 334.410 3.483 20 30 EGEDLO N#CC1(c2ccccc2)CCC([N@@H+]2CC(F)(F)CC[C@H]2CO)CC1 ZINC001170378914 1384303689 /nfs/dbraw/zinc/30/36/89/1384303689.db2.gz NOEWAAPYBDXKRX-ADKAHSJRSA-N 1 2 334.410 3.483 20 30 EGEDLO CCOC(=O)n1nc2c(c1Nc1ccccc1CS)C[NH2+]C2(C)C ZINC001170761446 1384381239 /nfs/dbraw/zinc/38/12/39/1384381239.db2.gz RMQNDGIWGADMBZ-UHFFFAOYSA-N 1 2 346.456 3.399 20 30 EGEDLO C=CCN1CC[NH+]([C@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001170876605 1384403157 /nfs/dbraw/zinc/40/31/57/1384403157.db2.gz AOMZRZRMCQMZJW-KRWDZBQOSA-N 1 2 335.289 3.110 20 30 EGEDLO [NH2+]=C(Nc1cnc(F)c([N+](=O)[O-])c1)c1ccc2cc(O)ccc2c1 ZINC001171181822 1384462175 /nfs/dbraw/zinc/46/21/75/1384462175.db2.gz CQZMOTNGIGTHAG-UHFFFAOYSA-N 1 2 326.287 3.025 20 30 EGEDLO N#C[C@@H]1CCC[N@H+]1C1CCN(c2ccc(Br)cc2)CC1 ZINC001171990040 1384707316 /nfs/dbraw/zinc/70/73/16/1384707316.db2.gz LRSMLZUCQYRETA-INIZCTEOSA-N 1 2 334.261 3.406 20 30 EGEDLO N#C[C@@H]1CCC[N@@H+]1C1CCN(c2ccc(Br)cc2)CC1 ZINC001171990040 1384707317 /nfs/dbraw/zinc/70/73/17/1384707317.db2.gz LRSMLZUCQYRETA-INIZCTEOSA-N 1 2 334.261 3.406 20 30 EGEDLO C[C@H]1CC[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1(F)F ZINC001173430147 1384969569 /nfs/dbraw/zinc/96/95/69/1384969569.db2.gz MUBDGXAZXWLLTN-AWEZNQCLSA-N 1 2 347.409 3.140 20 30 EGEDLO C[C@H]1CC[N@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1(F)F ZINC001173430147 1384969573 /nfs/dbraw/zinc/96/95/73/1384969573.db2.gz MUBDGXAZXWLLTN-AWEZNQCLSA-N 1 2 347.409 3.140 20 30 EGEDLO COC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173586755 1384982446 /nfs/dbraw/zinc/98/24/46/1384982446.db2.gz ZZBWEJWLPFYMCH-UPTPFMHGSA-N 1 2 334.847 3.486 20 30 EGEDLO COC(=O)c1cc(Nc2ccc(N3CCCCC3)[nH+]c2)ccc1C#N ZINC001174524365 1385116632 /nfs/dbraw/zinc/11/66/32/1385116632.db2.gz IDWWKZSBBCTWCC-UHFFFAOYSA-N 1 2 336.395 3.474 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)C1(c2ccccc2C)CC1)C1CC1 ZINC001317561245 1385340188 /nfs/dbraw/zinc/34/01/88/1385340188.db2.gz WXCAQUHDULSKGN-UHFFFAOYSA-N 1 2 332.875 3.360 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)C1(c2ccccc2C)CC1)C1CC1 ZINC001317561245 1385340192 /nfs/dbraw/zinc/34/01/92/1385340192.db2.gz WXCAQUHDULSKGN-UHFFFAOYSA-N 1 2 332.875 3.360 20 30 EGEDLO COc1cc[nH+]cc1Nc1ccc(Br)c(OC)c1C#N ZINC001176123730 1385490781 /nfs/dbraw/zinc/49/07/81/1385490781.db2.gz FUHJVWIZVGBCPH-UHFFFAOYSA-N 1 2 334.173 3.477 20 30 EGEDLO C=CCCCCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccs3)C[C@@H]21 ZINC001176886632 1385732228 /nfs/dbraw/zinc/73/22/28/1385732228.db2.gz FGKAUTDNYAIYEW-IRXDYDNUSA-N 1 2 348.512 3.410 20 30 EGEDLO C=CCCCCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccs3)C[C@@H]21 ZINC001176886632 1385732247 /nfs/dbraw/zinc/73/22/47/1385732247.db2.gz FGKAUTDNYAIYEW-IRXDYDNUSA-N 1 2 348.512 3.410 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@@H+](Cc3ccc(C)c(C)c3)[C@H]2C1 ZINC001176955401 1385754372 /nfs/dbraw/zinc/75/43/72/1385754372.db2.gz SMFOUNLAQBMZIT-VQTJNVASSA-N 1 2 342.483 3.071 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@H+](Cc3ccc(C)c(C)c3)[C@H]2C1 ZINC001176955401 1385754377 /nfs/dbraw/zinc/75/43/77/1385754377.db2.gz SMFOUNLAQBMZIT-VQTJNVASSA-N 1 2 342.483 3.071 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2OCC[N@@H+](Cc3cccc(C)c3)[C@H]2C1 ZINC001177073775 1385796088 /nfs/dbraw/zinc/79/60/88/1385796088.db2.gz SJGGTOAPXGFPLF-VQTJNVASSA-N 1 2 342.483 3.153 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2OCC[N@H+](Cc3cccc(C)c3)[C@H]2C1 ZINC001177073775 1385796092 /nfs/dbraw/zinc/79/60/92/1385796092.db2.gz SJGGTOAPXGFPLF-VQTJNVASSA-N 1 2 342.483 3.153 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCC3CCCC3)C[C@@H]21 ZINC001177158242 1385838699 /nfs/dbraw/zinc/83/86/99/1385838699.db2.gz WNMYXGGBYNFPEJ-RBUKOAKNSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCCC3CCCC3)C[C@@H]21 ZINC001177158242 1385838702 /nfs/dbraw/zinc/83/87/02/1385838702.db2.gz WNMYXGGBYNFPEJ-RBUKOAKNSA-N 1 2 334.504 3.225 20 30 EGEDLO CN(C)c1ccc(NCc2cc(C#N)ccc2Br)c[nH+]1 ZINC001178143294 1386140936 /nfs/dbraw/zinc/14/09/36/1386140936.db2.gz FQGDCOROPPDJBB-UHFFFAOYSA-N 1 2 331.217 3.394 20 30 EGEDLO COc1cc(C)[nH+]c(CSCC(=O)Nc2cccc(C#N)c2)c1 ZINC001320093579 1386506651 /nfs/dbraw/zinc/50/66/51/1386506651.db2.gz ARWDZVYDIANEJD-UHFFFAOYSA-N 1 2 327.409 3.142 20 30 EGEDLO CC(=O)/C=C(/C)NC(=O)[C@@H](c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC001182243363 1387130113 /nfs/dbraw/zinc/13/01/13/1387130113.db2.gz DIDQNEQCZPUCHF-FZWACIFYSA-N 1 2 336.435 3.469 20 30 EGEDLO CC(=O)/C=C(/C)NC(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC001182243363 1387130115 /nfs/dbraw/zinc/13/01/15/1387130115.db2.gz DIDQNEQCZPUCHF-FZWACIFYSA-N 1 2 336.435 3.469 20 30 EGEDLO C=C1CCN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)CC1 ZINC001336748874 1389155770 /nfs/dbraw/zinc/15/57/70/1389155770.db2.gz ZSENPDZAWYDPAW-UHFFFAOYSA-N 1 2 342.487 3.083 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CCc2ccc3[nH]ccc3c2)C1 ZINC001330014178 1389285712 /nfs/dbraw/zinc/28/57/12/1389285712.db2.gz VOKFFFFMOPKOMP-AWEZNQCLSA-N 1 2 345.874 3.290 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2cc3ccccc3o2)C1 ZINC001330030028 1389288334 /nfs/dbraw/zinc/28/83/34/1389288334.db2.gz CMJQPRXIXWMMTL-CYBMUJFWSA-N 1 2 332.831 3.164 20 30 EGEDLO N#CCc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC001337378699 1389324662 /nfs/dbraw/zinc/32/46/62/1389324662.db2.gz RHLQXLHFQLARLD-GOSISDBHSA-N 1 2 339.826 3.193 20 30 EGEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3csc(C#N)c3)CC2)cc1 ZINC001333438216 1390304484 /nfs/dbraw/zinc/30/44/84/1390304484.db2.gz AFKGBQATPHZGNN-UHFFFAOYSA-N 1 2 339.464 3.140 20 30 EGEDLO C=CCN(C)c1nnc([C@@H]2CCCC[N@@H+]2C)n1CCc1ccccc1 ZINC001342488211 1390617873 /nfs/dbraw/zinc/61/78/73/1390617873.db2.gz UWPLZPGMBMEZOB-SFHVURJKSA-N 1 2 339.487 3.300 20 30 EGEDLO C=CCN(C)c1nnc([C@@H]2CCCC[N@H+]2C)n1CCc1ccccc1 ZINC001342488211 1390617876 /nfs/dbraw/zinc/61/78/76/1390617876.db2.gz UWPLZPGMBMEZOB-SFHVURJKSA-N 1 2 339.487 3.300 20 30 EGEDLO CC(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001343506561 1390718587 /nfs/dbraw/zinc/71/85/87/1390718587.db2.gz GXJNGFGYJRDHJH-LPHOPBHVSA-N 1 2 344.507 3.221 20 30 EGEDLO CC(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001343506561 1390718589 /nfs/dbraw/zinc/71/85/89/1390718589.db2.gz GXJNGFGYJRDHJH-LPHOPBHVSA-N 1 2 344.507 3.221 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)CCCSC ZINC001343927782 1390744648 /nfs/dbraw/zinc/74/46/48/1390744648.db2.gz KVELHQJQRIIGTR-HNNXBMFYSA-N 1 2 337.537 3.200 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)CCCSC ZINC001343927782 1390744650 /nfs/dbraw/zinc/74/46/50/1390744650.db2.gz KVELHQJQRIIGTR-HNNXBMFYSA-N 1 2 337.537 3.200 20 30 EGEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@](C)(CC)C1 ZINC001345993367 1390899342 /nfs/dbraw/zinc/89/93/42/1390899342.db2.gz AYKPITMLJIGNLH-LJQANCHMSA-N 1 2 342.491 3.195 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)C[C@H]1CCCCO1 ZINC001346627314 1390962998 /nfs/dbraw/zinc/96/29/98/1390962998.db2.gz KYFZYUQNCKTING-SJORKVTESA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)C[C@H]1CCCCO1 ZINC001346627314 1390963006 /nfs/dbraw/zinc/96/30/06/1390963006.db2.gz KYFZYUQNCKTING-SJORKVTESA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC001479829010 1392415962 /nfs/dbraw/zinc/41/59/62/1392415962.db2.gz ICWDQBYTMRXOSG-BLLLJJGKSA-N 1 2 336.867 3.012 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)C2(CC)CC2)CC1 ZINC001479892075 1392462206 /nfs/dbraw/zinc/46/22/06/1392462206.db2.gz MMKROIPBSPOJOK-UHFFFAOYSA-N 1 2 329.282 3.008 20 30 EGEDLO CCc1ccc(F)cc1C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001480886613 1392999289 /nfs/dbraw/zinc/99/92/89/1392999289.db2.gz XBYPHTRMQBFYCJ-UHFFFAOYSA-N 1 2 339.414 3.122 20 30 EGEDLO CCc1ccc(F)cc1C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001480886613 1392999290 /nfs/dbraw/zinc/99/92/90/1392999290.db2.gz XBYPHTRMQBFYCJ-UHFFFAOYSA-N 1 2 339.414 3.122 20 30 EGEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)c1ccsc1C ZINC001481135600 1393129712 /nfs/dbraw/zinc/12/97/12/1393129712.db2.gz ULQRTXNJLPNBMZ-UHFFFAOYSA-N 1 2 345.306 3.407 20 30 EGEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1ccsc1C ZINC001481135600 1393129713 /nfs/dbraw/zinc/12/97/13/1393129713.db2.gz ULQRTXNJLPNBMZ-UHFFFAOYSA-N 1 2 345.306 3.407 20 30 EGEDLO CCC[C@@H](C)CC(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001481615116 1394421459 /nfs/dbraw/zinc/42/14/59/1394421459.db2.gz MKGSHMRSQLWVFM-CQSZACIVSA-N 1 2 331.435 3.072 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2(c3ccc(F)cc3)CCC2)C1 ZINC001481639250 1394427709 /nfs/dbraw/zinc/42/77/09/1394427709.db2.gz XEKNKXFUZUNLDJ-UHFFFAOYSA-N 1 2 336.838 3.048 20 30 EGEDLO C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)c1ccc(N(C)C)cc1 ZINC001482396510 1394958147 /nfs/dbraw/zinc/95/81/47/1394958147.db2.gz MEDKAKUZAXIAMO-INIZCTEOSA-N 1 2 337.895 3.239 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@H](C)C2CCC2)CC1 ZINC001483968597 1395167912 /nfs/dbraw/zinc/16/79/12/1395167912.db2.gz YJCNMIRANVVALE-CYBMUJFWSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@H](C)c1cccc(F)c1 ZINC001698997027 1406796393 /nfs/dbraw/zinc/79/63/93/1406796393.db2.gz RPKDAAIULVWSCW-ZDUSSCGKSA-N 1 2 326.843 3.462 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@H](C)c1cccc(F)c1 ZINC001698997027 1406796399 /nfs/dbraw/zinc/79/63/99/1406796399.db2.gz RPKDAAIULVWSCW-ZDUSSCGKSA-N 1 2 326.843 3.462 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cc1cc(F)c(C)cc1F ZINC001492992566 1396330801 /nfs/dbraw/zinc/33/08/01/1396330801.db2.gz IVXWKDZEHHHRCM-UHFFFAOYSA-N 1 2 330.806 3.006 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cc1cc(F)c(C)cc1F ZINC001492992566 1396330802 /nfs/dbraw/zinc/33/08/02/1396330802.db2.gz IVXWKDZEHHHRCM-UHFFFAOYSA-N 1 2 330.806 3.006 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1c(F)cccc1Cl ZINC001722905392 1424232261 /nfs/dbraw/zinc/23/22/61/1424232261.db2.gz JQZNEMOIXSQKKX-NSHDSACASA-N 1 2 333.234 3.211 20 30 EGEDLO C[N@H+](CCNC(=O)[C@H]1CCCCC1(C)C)Cc1ccc(C#N)cc1F ZINC001691000556 1404917066 /nfs/dbraw/zinc/91/70/66/1404917066.db2.gz KXFKMKIJILSYGS-QGZVFWFLSA-N 1 2 345.462 3.462 20 30 EGEDLO C[N@@H+](CCNC(=O)[C@H]1CCCCC1(C)C)Cc1ccc(C#N)cc1F ZINC001691000556 1404917068 /nfs/dbraw/zinc/91/70/68/1404917068.db2.gz KXFKMKIJILSYGS-QGZVFWFLSA-N 1 2 345.462 3.462 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C[C@@H]1CCc2ccccc2C1 ZINC001691049901 1404964346 /nfs/dbraw/zinc/96/43/46/1404964346.db2.gz HRNLYHUNLMUSFU-MRXNPFEDSA-N 1 2 334.891 3.372 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C[C@@H]1CCc2ccccc2C1 ZINC001691049901 1404964347 /nfs/dbraw/zinc/96/43/47/1404964347.db2.gz HRNLYHUNLMUSFU-MRXNPFEDSA-N 1 2 334.891 3.372 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cc(Cl)c[nH]2)C1 ZINC001691841617 1405552907 /nfs/dbraw/zinc/55/29/07/1405552907.db2.gz GLFDEELXCYQADV-CYBMUJFWSA-N 1 2 330.259 3.347 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cc(Cl)c[nH]2)C1 ZINC001691841617 1405552909 /nfs/dbraw/zinc/55/29/09/1405552909.db2.gz GLFDEELXCYQADV-CYBMUJFWSA-N 1 2 330.259 3.347 20 30 EGEDLO C[C@@H](C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1)C1CCCC1 ZINC001692343927 1405963333 /nfs/dbraw/zinc/96/33/33/1405963333.db2.gz JNVYPVGBJRHGMB-CQSZACIVSA-N 1 2 343.446 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)CCOc2ccccc2)C1 ZINC001698588364 1406207334 /nfs/dbraw/zinc/20/73/34/1406207334.db2.gz WMRYRMBSDRYISZ-INIZCTEOSA-N 1 2 336.863 3.131 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)CCOc2ccccc2)C1 ZINC001698588364 1406207335 /nfs/dbraw/zinc/20/73/35/1406207335.db2.gz WMRYRMBSDRYISZ-INIZCTEOSA-N 1 2 336.863 3.131 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1cccc(C)c1Cl ZINC001699458112 1412805516 /nfs/dbraw/zinc/80/55/16/1412805516.db2.gz KBYRRZXSQBRYLA-ZDUSSCGKSA-N 1 2 329.271 3.380 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1cccc(C)c1Cl ZINC001699458112 1412805523 /nfs/dbraw/zinc/80/55/23/1412805523.db2.gz KBYRRZXSQBRYLA-ZDUSSCGKSA-N 1 2 329.271 3.380 20 30 EGEDLO CCCC1(C(=O)N[C@H](C)C2C[NH+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001700542252 1414209296 /nfs/dbraw/zinc/20/92/96/1414209296.db2.gz BUOPKXBQQPUGPM-CQSZACIVSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCOc1cc(C)cc(C)c1 ZINC001732582298 1428790565 /nfs/dbraw/zinc/79/05/65/1428790565.db2.gz KBINZBPOOIGYPD-UHFFFAOYSA-N 1 2 338.879 3.215 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCOc1cc(C)cc(C)c1 ZINC001732582298 1428790569 /nfs/dbraw/zinc/79/05/69/1428790569.db2.gz KBINZBPOOIGYPD-UHFFFAOYSA-N 1 2 338.879 3.215 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@H+](Cc2nc3ccc(F)cc3o2)C1 ZINC001713083386 1417629787 /nfs/dbraw/zinc/62/97/87/1417629787.db2.gz VVRAOMSAXPEYSC-CQSZACIVSA-N 1 2 345.418 3.260 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2nc3ccc(F)cc3o2)C1 ZINC001713083386 1417629789 /nfs/dbraw/zinc/62/97/89/1417629789.db2.gz VVRAOMSAXPEYSC-CQSZACIVSA-N 1 2 345.418 3.260 20 30 EGEDLO C[N@H+](CCNC(=O)C(C)(C)C1CCC1)Cc1cc(C#N)ccc1F ZINC001713462273 1418121205 /nfs/dbraw/zinc/12/12/05/1418121205.db2.gz IQNDPEKSCOJREG-UHFFFAOYSA-N 1 2 331.435 3.072 20 30 EGEDLO C[N@@H+](CCNC(=O)C(C)(C)C1CCC1)Cc1cc(C#N)ccc1F ZINC001713462273 1418121207 /nfs/dbraw/zinc/12/12/07/1418121207.db2.gz IQNDPEKSCOJREG-UHFFFAOYSA-N 1 2 331.435 3.072 20 30 EGEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)[C@H](C)C(C)(C)C ZINC001713547723 1418320670 /nfs/dbraw/zinc/32/06/70/1418320670.db2.gz HPNJCOKEIFZXJS-ZDUSSCGKSA-N 1 2 333.314 3.405 20 30 EGEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)[C@H](C)C(C)(C)C ZINC001713547723 1418320673 /nfs/dbraw/zinc/32/06/73/1418320673.db2.gz HPNJCOKEIFZXJS-ZDUSSCGKSA-N 1 2 333.314 3.405 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H](C)c1c(F)cccc1F)C1CC1 ZINC001713560184 1418359043 /nfs/dbraw/zinc/35/90/43/1418359043.db2.gz YHTHSKJQMYFAQX-LBPRGKRZSA-N 1 2 342.817 3.401 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H](C)c1c(F)cccc1F)C1CC1 ZINC001713560184 1418359047 /nfs/dbraw/zinc/35/90/47/1418359047.db2.gz YHTHSKJQMYFAQX-LBPRGKRZSA-N 1 2 342.817 3.401 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cccc(Cl)c1F)C1CC1 ZINC001713561483 1418361803 /nfs/dbraw/zinc/36/18/03/1418361803.db2.gz RXGHBGNHTOEQRS-UHFFFAOYSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cccc(Cl)c1F)C1CC1 ZINC001713561483 1418361806 /nfs/dbraw/zinc/36/18/06/1418361806.db2.gz RXGHBGNHTOEQRS-UHFFFAOYSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CCC)C(=O)CC2CC2)C1 ZINC001713713843 1418476685 /nfs/dbraw/zinc/47/66/85/1418476685.db2.gz MRXFUHMBINQMMC-CQSZACIVSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CCC)C(=O)CC2CC2)C1 ZINC001713713843 1418476686 /nfs/dbraw/zinc/47/66/86/1418476686.db2.gz MRXFUHMBINQMMC-CQSZACIVSA-N 1 2 329.282 3.008 20 30 EGEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)CC1CCCC1)C1CC1 ZINC001714660589 1419445866 /nfs/dbraw/zinc/44/58/66/1419445866.db2.gz LJBMPGIONOSLIG-UHFFFAOYSA-N 1 2 325.456 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@H+](CCNC(=O)CC1CCCC1)C1CC1 ZINC001714660589 1419445868 /nfs/dbraw/zinc/44/58/68/1419445868.db2.gz LJBMPGIONOSLIG-UHFFFAOYSA-N 1 2 325.456 3.219 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2cc(F)ccc2F)C1 ZINC001714923086 1419676165 /nfs/dbraw/zinc/67/61/65/1419676165.db2.gz DCTFCGLRKMVBDC-ZBFHGGJFSA-N 1 2 334.410 3.410 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2cc(F)ccc2F)C1 ZINC001714923086 1419676170 /nfs/dbraw/zinc/67/61/70/1419676170.db2.gz DCTFCGLRKMVBDC-ZBFHGGJFSA-N 1 2 334.410 3.410 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCc1cc(F)ccc1F ZINC001715539869 1420237328 /nfs/dbraw/zinc/23/73/28/1420237328.db2.gz PGMNFZQKYRBGBY-UHFFFAOYSA-N 1 2 330.806 3.040 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCc1cc(F)ccc1F ZINC001715539869 1420237332 /nfs/dbraw/zinc/23/73/32/1420237332.db2.gz PGMNFZQKYRBGBY-UHFFFAOYSA-N 1 2 330.806 3.040 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1csc2c1CCCC2 ZINC001716504545 1420735363 /nfs/dbraw/zinc/73/53/63/1420735363.db2.gz OOIWOOGXJPVMSN-LBPRGKRZSA-N 1 2 326.893 3.430 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1csc2c1CCCC2 ZINC001716504545 1420735364 /nfs/dbraw/zinc/73/53/64/1420735364.db2.gz OOIWOOGXJPVMSN-LBPRGKRZSA-N 1 2 326.893 3.430 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1c(F)cccc1Cl ZINC001722905392 1424232260 /nfs/dbraw/zinc/23/22/60/1424232260.db2.gz JQZNEMOIXSQKKX-NSHDSACASA-N 1 2 333.234 3.211 20 30 EGEDLO CCC(CC)CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001723472577 1424427198 /nfs/dbraw/zinc/42/71/98/1424427198.db2.gz YRNAYIFUKISEFV-SFHVURJKSA-N 1 2 343.471 3.084 20 30 EGEDLO CCC(CC)CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001723472577 1424427200 /nfs/dbraw/zinc/42/72/00/1424427200.db2.gz YRNAYIFUKISEFV-SFHVURJKSA-N 1 2 343.471 3.084 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)[C@@H](C)c1ccco1 ZINC001724854920 1425223848 /nfs/dbraw/zinc/22/38/48/1425223848.db2.gz FFUNPCDVBAIQQT-ZDUSSCGKSA-N 1 2 343.265 3.072 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)[C@@H](C)c1ccco1 ZINC001724854920 1425223852 /nfs/dbraw/zinc/22/38/52/1425223852.db2.gz FFUNPCDVBAIQQT-ZDUSSCGKSA-N 1 2 343.265 3.072 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2(CC)CC2)C[C@H]1C ZINC001724995046 1425400679 /nfs/dbraw/zinc/40/06/79/1425400679.db2.gz JFKFICQOAGPRNQ-OLZOCXBDSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2(CC)CC2)C[C@H]1C ZINC001724995046 1425400681 /nfs/dbraw/zinc/40/06/81/1425400681.db2.gz JFKFICQOAGPRNQ-OLZOCXBDSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1cccc(C)c1Cl ZINC001725171954 1425682443 /nfs/dbraw/zinc/68/24/43/1425682443.db2.gz CSWSNHHAAATQFF-ZDUSSCGKSA-N 1 2 329.271 3.380 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1cccc(C)c1Cl ZINC001725171954 1425682447 /nfs/dbraw/zinc/68/24/47/1425682447.db2.gz CSWSNHHAAATQFF-ZDUSSCGKSA-N 1 2 329.271 3.380 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)c1ccc(OC)cc1 ZINC001725194955 1425748357 /nfs/dbraw/zinc/74/83/57/1425748357.db2.gz LSAVLCQZWBCTNO-AWEZNQCLSA-N 1 2 338.879 3.162 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)c1ccc(OC)cc1 ZINC001725194955 1425748361 /nfs/dbraw/zinc/74/83/61/1425748361.db2.gz LSAVLCQZWBCTNO-AWEZNQCLSA-N 1 2 338.879 3.162 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC001725203233 1425760876 /nfs/dbraw/zinc/76/08/76/1425760876.db2.gz SNKYLUUXUZHCAF-CQSZACIVSA-N 1 2 331.847 3.484 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC001725203233 1425760879 /nfs/dbraw/zinc/76/08/79/1425760879.db2.gz SNKYLUUXUZHCAF-CQSZACIVSA-N 1 2 331.847 3.484 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCc1ncc(C(C)(C)C)o1 ZINC001734040472 1437829006 /nfs/dbraw/zinc/82/90/06/1437829006.db2.gz GULXSRNAPDPJFI-CYBMUJFWSA-N 1 2 341.883 3.094 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCc1ncc(C(C)(C)C)o1 ZINC001734040472 1437829008 /nfs/dbraw/zinc/82/90/08/1437829008.db2.gz GULXSRNAPDPJFI-CYBMUJFWSA-N 1 2 341.883 3.094 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CCc2cccc(Cl)c2)C1 ZINC001734121053 1437901750 /nfs/dbraw/zinc/90/17/50/1437901750.db2.gz ZKJWLCYZCJMNJX-ZDUSSCGKSA-N 1 2 341.282 3.462 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCNC(=O)c1cc(C)cc(F)c1 ZINC001752071286 1440137603 /nfs/dbraw/zinc/13/76/03/1440137603.db2.gz WHHVDRVAKLUUGZ-UHFFFAOYSA-N 1 2 343.240 3.094 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCNC(=O)c1cc(C)cc(F)c1 ZINC001752071286 1440137604 /nfs/dbraw/zinc/13/76/04/1440137604.db2.gz WHHVDRVAKLUUGZ-UHFFFAOYSA-N 1 2 343.240 3.094 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001752326901 1440170792 /nfs/dbraw/zinc/17/07/92/1440170792.db2.gz HFGXXOXUNCANNK-QAPCUYQASA-N 1 2 343.446 3.380 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001752326901 1440170794 /nfs/dbraw/zinc/17/07/94/1440170794.db2.gz HFGXXOXUNCANNK-QAPCUYQASA-N 1 2 343.446 3.380 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cncc(F)c1 ZINC001752820994 1440220567 /nfs/dbraw/zinc/22/05/67/1440220567.db2.gz JHWQHILFBBMGNW-IBGZPJMESA-N 1 2 345.462 3.460 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cncc(F)c1 ZINC001752820994 1440220568 /nfs/dbraw/zinc/22/05/68/1440220568.db2.gz JHWQHILFBBMGNW-IBGZPJMESA-N 1 2 345.462 3.460 20 30 EGEDLO C=CC(C)(C)CC(=O)NCC[N@@H+](C)Cc1cc(OC)ccc1Cl ZINC001753050665 1440279111 /nfs/dbraw/zinc/27/91/11/1440279111.db2.gz PIXLKFULBQDDDT-UHFFFAOYSA-N 1 2 338.879 3.499 20 30 EGEDLO C=CC(C)(C)CC(=O)NCC[N@H+](C)Cc1cc(OC)ccc1Cl ZINC001753050665 1440279112 /nfs/dbraw/zinc/27/91/12/1440279112.db2.gz PIXLKFULBQDDDT-UHFFFAOYSA-N 1 2 338.879 3.499 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cc2c([nH]1)c(F)ccc2C ZINC001753084298 1440295497 /nfs/dbraw/zinc/29/54/97/1440295497.db2.gz JUAUGYAVYIDOLI-UHFFFAOYSA-N 1 2 337.826 3.420 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cc2c([nH]1)c(F)ccc2C ZINC001753084298 1440295498 /nfs/dbraw/zinc/29/54/98/1440295498.db2.gz JUAUGYAVYIDOLI-UHFFFAOYSA-N 1 2 337.826 3.420 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1nc2c(o1)CCCC2 ZINC001753108387 1440307308 /nfs/dbraw/zinc/30/73/08/1440307308.db2.gz LJVZZLPQPXZBEL-OAHLLOKOSA-N 1 2 345.487 3.236 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[N@H+]1Cc1nc2c(o1)CCCC2 ZINC001753108387 1440307309 /nfs/dbraw/zinc/30/73/09/1440307309.db2.gz LJVZZLPQPXZBEL-OAHLLOKOSA-N 1 2 345.487 3.236 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)NCC[N@H+](Cc2cc(C#N)ccc2F)C2CC2)C1 ZINC001753160987 1440333731 /nfs/dbraw/zinc/33/37/31/1440333731.db2.gz ITORLTVYLXPVOH-HOCLYGCPSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)NCC[N@@H+](Cc2cc(C#N)ccc2F)C2CC2)C1 ZINC001753160987 1440333732 /nfs/dbraw/zinc/33/37/32/1440333732.db2.gz ITORLTVYLXPVOH-HOCLYGCPSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@@H](C(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1)C1CCCC1 ZINC001753162120 1440334357 /nfs/dbraw/zinc/33/43/57/1440334357.db2.gz XVMPHAXRQCDISR-MRXNPFEDSA-N 1 2 339.483 3.465 20 30 EGEDLO C[C@@H](C(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1)C1CCCC1 ZINC001753162120 1440334358 /nfs/dbraw/zinc/33/43/58/1440334358.db2.gz XVMPHAXRQCDISR-MRXNPFEDSA-N 1 2 339.483 3.465 20 30 EGEDLO CC[C@H](C)[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001753309684 1440356176 /nfs/dbraw/zinc/35/61/76/1440356176.db2.gz UXICJIWAWVCNEB-CPLUKWAASA-N 1 2 339.483 3.416 20 30 EGEDLO CC[C@H](C)[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001753309684 1440356177 /nfs/dbraw/zinc/35/61/77/1440356177.db2.gz UXICJIWAWVCNEB-CPLUKWAASA-N 1 2 339.483 3.416 20 30 EGEDLO CCCC[C@](C)(F)C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001753405775 1440391942 /nfs/dbraw/zinc/39/19/42/1440391942.db2.gz SIGWYOVFMNTAHS-IBGZPJMESA-N 1 2 349.425 3.164 20 30 EGEDLO C=CCC(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001753445469 1440403556 /nfs/dbraw/zinc/40/35/56/1440403556.db2.gz MRRUNIKNSVXOJM-OAHLLOKOSA-N 1 2 335.879 3.370 20 30 EGEDLO C=CCC(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001753445469 1440403557 /nfs/dbraw/zinc/40/35/57/1440403557.db2.gz MRRUNIKNSVXOJM-OAHLLOKOSA-N 1 2 335.879 3.370 20 30 EGEDLO CCN(C(=O)[C@H](C)C#N)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC001753453519 1440407311 /nfs/dbraw/zinc/40/73/11/1440407311.db2.gz RYUIDNLYJAXVJG-IUODEOHRSA-N 1 2 337.826 3.062 20 30 EGEDLO CCN(C(=O)[C@H](C)C#N)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC001753453519 1440407312 /nfs/dbraw/zinc/40/73/12/1440407312.db2.gz RYUIDNLYJAXVJG-IUODEOHRSA-N 1 2 337.826 3.062 20 30 EGEDLO C#CCCCCCC(=O)N(CC)[C@H]1CC[N@H+](Cc2csc(C)n2)C1 ZINC001753461873 1440411173 /nfs/dbraw/zinc/41/11/73/1440411173.db2.gz OYWGJCZEQMSCBP-SFHVURJKSA-N 1 2 347.528 3.458 20 30 EGEDLO C#CCCCCCC(=O)N(CC)[C@H]1CC[N@@H+](Cc2csc(C)n2)C1 ZINC001753461873 1440411174 /nfs/dbraw/zinc/41/11/74/1440411174.db2.gz OYWGJCZEQMSCBP-SFHVURJKSA-N 1 2 347.528 3.458 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccc(CF)cc2)CCO1 ZINC001753654628 1440457147 /nfs/dbraw/zinc/45/71/47/1440457147.db2.gz ZZBBJUCOEJKWIU-GOSISDBHSA-N 1 2 348.462 3.075 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(CF)cc2)CCO1 ZINC001753654628 1440457148 /nfs/dbraw/zinc/45/71/48/1440457148.db2.gz ZZBBJUCOEJKWIU-GOSISDBHSA-N 1 2 348.462 3.075 20 30 EGEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)C1C(C)(C)C1(C)C ZINC001753849329 1440505850 /nfs/dbraw/zinc/50/58/50/1440505850.db2.gz FYDKXCCBWDJKKN-UHFFFAOYSA-N 1 2 345.462 3.270 20 30 EGEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)C1C(C)(C)C1(C)C ZINC001753849329 1440505851 /nfs/dbraw/zinc/50/58/51/1440505851.db2.gz FYDKXCCBWDJKKN-UHFFFAOYSA-N 1 2 345.462 3.270 20 30 EGEDLO C#CCCCC(=O)N(C)CC[N@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC001753851893 1440507209 /nfs/dbraw/zinc/50/72/09/1440507209.db2.gz UWQLQWQMBWCYSH-UHFFFAOYSA-N 1 2 339.439 3.035 20 30 EGEDLO C#CCCCC(=O)N(C)CC[N@@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC001753851893 1440507210 /nfs/dbraw/zinc/50/72/10/1440507210.db2.gz UWQLQWQMBWCYSH-UHFFFAOYSA-N 1 2 339.439 3.035 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)C(C)(C)C(F)(F)F ZINC001753867397 1440515347 /nfs/dbraw/zinc/51/53/47/1440515347.db2.gz PZLOMGCKSFOURC-UHFFFAOYSA-N 1 2 341.377 3.037 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)C(C)(C)C(F)(F)F ZINC001753867397 1440515348 /nfs/dbraw/zinc/51/53/48/1440515348.db2.gz PZLOMGCKSFOURC-UHFFFAOYSA-N 1 2 341.377 3.037 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@H]1CCc2ccccc2C1 ZINC001753867906 1440515618 /nfs/dbraw/zinc/51/56/18/1440515618.db2.gz KSQUBTFFJOTIHH-INIZCTEOSA-N 1 2 334.891 3.324 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@H]1CCc2ccccc2C1 ZINC001753867906 1440515619 /nfs/dbraw/zinc/51/56/19/1440515619.db2.gz KSQUBTFFJOTIHH-INIZCTEOSA-N 1 2 334.891 3.324 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)C[N@H+](C)Cc1nc2c(o1)CCCC2 ZINC001754320113 1440577362 /nfs/dbraw/zinc/57/73/62/1440577362.db2.gz SVDKRUZTIHAWHD-CQSZACIVSA-N 1 2 333.476 3.092 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)C[N@@H+](C)Cc1nc2c(o1)CCCC2 ZINC001754320113 1440577363 /nfs/dbraw/zinc/57/73/63/1440577363.db2.gz SVDKRUZTIHAWHD-CQSZACIVSA-N 1 2 333.476 3.092 20 30 EGEDLO C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1)C(C)(C)C ZINC001754487810 1440609025 /nfs/dbraw/zinc/60/90/25/1440609025.db2.gz PXXHRLWFQSCQCO-XJKSGUPXSA-N 1 2 331.435 3.070 20 30 EGEDLO C[C@@H](C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1)C(C)(C)C ZINC001754487810 1440609026 /nfs/dbraw/zinc/60/90/26/1440609026.db2.gz PXXHRLWFQSCQCO-XJKSGUPXSA-N 1 2 331.435 3.070 20 30 EGEDLO CC(C)=C(C)CC(=O)NC[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001754490462 1440609978 /nfs/dbraw/zinc/60/99/78/1440609978.db2.gz QBGSREOPUKHELN-LJQANCHMSA-N 1 2 328.431 3.114 20 30 EGEDLO CC(C)=C(C)CC(=O)NC[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001754490462 1440609979 /nfs/dbraw/zinc/60/99/79/1440609979.db2.gz QBGSREOPUKHELN-LJQANCHMSA-N 1 2 328.431 3.114 20 30 EGEDLO CC(C)=C(C)CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001754490675 1440610032 /nfs/dbraw/zinc/61/00/32/1440610032.db2.gz UFUWFPUDDWTFHF-KRWDZBQOSA-N 1 2 329.419 3.134 20 30 EGEDLO CC(C)=C(C)CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001754490675 1440610033 /nfs/dbraw/zinc/61/00/33/1440610033.db2.gz UFUWFPUDDWTFHF-KRWDZBQOSA-N 1 2 329.419 3.134 20 30 EGEDLO C=CC1(CC(=O)NC[C@H]2CC[N@H+]2Cc2ocnc2C)CCCCC1 ZINC001754496787 1440612644 /nfs/dbraw/zinc/61/26/44/1440612644.db2.gz HGTXFNSWIHTSFA-MRXNPFEDSA-N 1 2 331.460 3.200 20 30 EGEDLO C=CC1(CC(=O)NC[C@H]2CC[N@@H+]2Cc2ocnc2C)CCCCC1 ZINC001754496787 1440612645 /nfs/dbraw/zinc/61/26/45/1440612645.db2.gz HGTXFNSWIHTSFA-MRXNPFEDSA-N 1 2 331.460 3.200 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001754674115 1440659141 /nfs/dbraw/zinc/65/91/41/1440659141.db2.gz NTYVUGLKLXJTMS-FQEVSTJZSA-N 1 2 344.503 3.313 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@]1(C)CC[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001754674115 1440659142 /nfs/dbraw/zinc/65/91/42/1440659142.db2.gz NTYVUGLKLXJTMS-FQEVSTJZSA-N 1 2 344.503 3.313 20 30 EGEDLO C=C(C)[C@H](CC(=O)N[C@]1(C)CC[N@H+](CC=C(Cl)Cl)C1)OCC ZINC001754674146 1440659198 /nfs/dbraw/zinc/65/91/98/1440659198.db2.gz ODMWKVDCBCAERB-XJKSGUPXSA-N 1 2 349.302 3.257 20 30 EGEDLO C=C(C)[C@H](CC(=O)N[C@]1(C)CC[N@@H+](CC=C(Cl)Cl)C1)OCC ZINC001754674146 1440659199 /nfs/dbraw/zinc/65/91/99/1440659199.db2.gz ODMWKVDCBCAERB-XJKSGUPXSA-N 1 2 349.302 3.257 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@]1(C)CCC[N@@H+]([C@H](C)c2nc(C)no2)C1 ZINC001754730295 1440678806 /nfs/dbraw/zinc/67/88/06/1440678806.db2.gz FPNTXPCRSWQZOQ-KUHUBIRLSA-N 1 2 348.491 3.260 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@]1(C)CCC[N@H+]([C@H](C)c2nc(C)no2)C1 ZINC001754730295 1440678807 /nfs/dbraw/zinc/67/88/07/1440678807.db2.gz FPNTXPCRSWQZOQ-KUHUBIRLSA-N 1 2 348.491 3.260 20 30 EGEDLO C=CCCC(=O)NCc1ccc([C@H](C)[NH2+][C@H](C)c2nnc(C)o2)cc1 ZINC001754955217 1440716273 /nfs/dbraw/zinc/71/62/73/1440716273.db2.gz XTKXUTCXPVMXFP-UONOGXRCSA-N 1 2 342.443 3.372 20 30 EGEDLO C=CCCC(=O)NC[C@@H]1COCC[N@@H+]1Cc1cccc2ccccc21 ZINC001754966502 1440718293 /nfs/dbraw/zinc/71/82/93/1440718293.db2.gz SJXWYMOQFVTGCV-LJQANCHMSA-N 1 2 338.451 3.123 20 30 EGEDLO C=CCCC(=O)NC[C@@H]1COCC[N@H+]1Cc1cccc2ccccc21 ZINC001754966502 1440718294 /nfs/dbraw/zinc/71/82/94/1440718294.db2.gz SJXWYMOQFVTGCV-LJQANCHMSA-N 1 2 338.451 3.123 20 30 EGEDLO C=CC(C)(C)CC(=O)NCC1([NH2+]Cc2nc(C(C)(C)C)no2)CCC1 ZINC001754983571 1440722043 /nfs/dbraw/zinc/72/20/43/1440722043.db2.gz YRJQJXHWUJWUAR-UHFFFAOYSA-N 1 2 348.491 3.098 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1cccc(F)c1 ZINC001755032375 1440732031 /nfs/dbraw/zinc/73/20/31/1440732031.db2.gz JEPXSNNJDYSQJW-UHFFFAOYSA-N 1 2 343.240 3.128 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1cccc(F)c1 ZINC001755032375 1440732032 /nfs/dbraw/zinc/73/20/32/1440732032.db2.gz JEPXSNNJDYSQJW-UHFFFAOYSA-N 1 2 343.240 3.128 20 30 EGEDLO C=CCCCC(=O)N[C@H]1COC2(C[NH+](Cc3ccc(CC)cc3)C2)C1 ZINC001755064453 1440744823 /nfs/dbraw/zinc/74/48/23/1440744823.db2.gz UQDSRXUETWNIOR-LJQANCHMSA-N 1 2 342.483 3.065 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@H+](Cc2cscn2)CC1(C)C ZINC001755138738 1440759290 /nfs/dbraw/zinc/75/92/90/1440759290.db2.gz ORACHOYPVNVUJK-OAHLLOKOSA-N 1 2 335.517 3.462 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cscn2)CC1(C)C ZINC001755138738 1440759291 /nfs/dbraw/zinc/75/92/91/1440759291.db2.gz ORACHOYPVNVUJK-OAHLLOKOSA-N 1 2 335.517 3.462 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C)on2)CC1(C)C ZINC001755138811 1440759403 /nfs/dbraw/zinc/75/94/03/1440759403.db2.gz PSMUZVYFWXJZNO-GOSISDBHSA-N 1 2 345.487 3.468 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@H+](Cc2cc(C)on2)CC1(C)C ZINC001755138811 1440759404 /nfs/dbraw/zinc/75/94/04/1440759404.db2.gz PSMUZVYFWXJZNO-GOSISDBHSA-N 1 2 345.487 3.468 20 30 EGEDLO C=C(Br)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)C1CC1 ZINC001755365869 1440834395 /nfs/dbraw/zinc/83/43/95/1440834395.db2.gz WKEBHFFGOWRWIL-DZGCQCFKSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)C1CC1 ZINC001755365869 1440834396 /nfs/dbraw/zinc/83/43/96/1440834396.db2.gz WKEBHFFGOWRWIL-DZGCQCFKSA-N 1 2 343.309 3.302 20 30 EGEDLO CC(C)C(C)(C)C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001755377126 1440838415 /nfs/dbraw/zinc/83/84/15/1440838415.db2.gz QDFOVCFNXFUOFC-AWEZNQCLSA-N 1 2 345.462 3.316 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H](C)C1C[NH+](Cc2cccc(Cl)n2)C1 ZINC001755385063 1440840337 /nfs/dbraw/zinc/84/03/37/1440840337.db2.gz YPBMBBBZYXCFNU-ZIAGYGMSSA-N 1 2 335.879 3.274 20 30 EGEDLO CCC[C@H](C)C(=O)N[C@@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001755385597 1440840477 /nfs/dbraw/zinc/84/04/77/1440840477.db2.gz ZEKALCKFIFXTMK-KBPBESRZSA-N 1 2 331.435 3.070 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C[C@H](C)[NH2+][C@H](C)c2nnc(CC(C)C)o2)C1 ZINC001755603440 1440884660 /nfs/dbraw/zinc/88/46/60/1440884660.db2.gz BAEKULDDGLCGIW-LSDHHAIUSA-N 1 2 348.491 3.122 20 30 EGEDLO CCCC(=O)NCC1=CC[N@H+](CC#Cc2ccccc2Cl)CC1 ZINC001755879543 1440939328 /nfs/dbraw/zinc/93/93/28/1440939328.db2.gz PLNHTMRYNKGGCJ-UHFFFAOYSA-N 1 2 330.859 3.240 20 30 EGEDLO CCCC(=O)NCC1=CC[N@@H+](CC#Cc2ccccc2Cl)CC1 ZINC001755879543 1440939329 /nfs/dbraw/zinc/93/93/29/1440939329.db2.gz PLNHTMRYNKGGCJ-UHFFFAOYSA-N 1 2 330.859 3.240 20 30 EGEDLO C=CC(C)(C)CC(=O)NCC1=CC[N@H+](Cc2cncc(F)c2)CC1 ZINC001755888258 1440940914 /nfs/dbraw/zinc/94/09/14/1440940914.db2.gz SCLPGAJFANDMIN-UHFFFAOYSA-N 1 2 331.435 3.071 20 30 EGEDLO C=CC(C)(C)CC(=O)NCC1=CC[N@@H+](Cc2cncc(F)c2)CC1 ZINC001755888258 1440940915 /nfs/dbraw/zinc/94/09/15/1440940915.db2.gz SCLPGAJFANDMIN-UHFFFAOYSA-N 1 2 331.435 3.071 20 30 EGEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ncccc3C(F)(F)F)C2)nc1 ZINC000368336231 168343788 /nfs/dbraw/zinc/34/37/88/168343788.db2.gz LXDRJRFKUMSCNW-ZDUSSCGKSA-N 1 2 348.328 3.020 20 30 EGEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ncccc3C(F)(F)F)C2)nc1 ZINC000368336231 168343789 /nfs/dbraw/zinc/34/37/89/168343789.db2.gz LXDRJRFKUMSCNW-ZDUSSCGKSA-N 1 2 348.328 3.020 20 30 EGEDLO CCc1[nH+]c2ccccc2n1CC(=O)Nc1n[nH]c(-c2ccccn2)n1 ZINC000053525091 214187839 /nfs/dbraw/zinc/18/78/39/214187839.db2.gz XVLOBHMBYYQHEV-UHFFFAOYSA-N 1 2 347.382 3.067 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CCOCC3(CCCC3)C2)c(C#N)c1C ZINC000369006689 168391002 /nfs/dbraw/zinc/39/10/02/168391002.db2.gz CXMJBRVUHYBHEE-UHFFFAOYSA-N 1 2 347.484 3.068 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CCOCC3(CCCC3)C2)c(C#N)c1C ZINC000369006689 168391003 /nfs/dbraw/zinc/39/10/03/168391003.db2.gz CXMJBRVUHYBHEE-UHFFFAOYSA-N 1 2 347.484 3.068 20 30 EGEDLO Cc1cnc(C(C)(C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)s1 ZINC000183939840 235266373 /nfs/dbraw/zinc/26/63/73/235266373.db2.gz BMKGGADFAYFDAM-NSHDSACASA-N 1 2 346.456 3.385 20 30 EGEDLO Cc1cc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)c(C)o1 ZINC000183946104 235267667 /nfs/dbraw/zinc/26/76/67/235267667.db2.gz BGKGNHSTRCOKTH-HNNXBMFYSA-N 1 2 337.423 3.287 20 30 EGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000184355086 235375642 /nfs/dbraw/zinc/37/56/42/235375642.db2.gz GUTCMEUKARNCCN-AWEZNQCLSA-N 1 2 325.437 3.139 20 30 EGEDLO Cc1ncsc1C[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075719530 216654583 /nfs/dbraw/zinc/65/45/83/216654583.db2.gz ANWABLXARXOPHH-UHFFFAOYSA-N 1 2 325.397 3.005 20 30 EGEDLO Cc1ncsc1C[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075719530 216654586 /nfs/dbraw/zinc/65/45/86/216654586.db2.gz ANWABLXARXOPHH-UHFFFAOYSA-N 1 2 325.397 3.005 20 30 EGEDLO COc1cccc(C(=O)N2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000172397022 533399424 /nfs/dbraw/zinc/39/94/24/533399424.db2.gz MQXFRQDNXIYESB-INIZCTEOSA-N 1 2 349.434 3.086 20 30 EGEDLO CCC#C[C@H](C)[NH+]1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000677802565 549333709 /nfs/dbraw/zinc/33/37/09/549333709.db2.gz RQWBURGQXXECJK-AWEZNQCLSA-N 1 2 338.373 3.265 20 30 EGEDLO Cn1c[nH+]cc1CNC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000350595561 141255219 /nfs/dbraw/zinc/25/52/19/141255219.db2.gz FFTVYRFMPCLTKO-UHFFFAOYSA-N 1 2 347.378 3.406 20 30 EGEDLO Cc1nsc(N2CC[NH+](Cc3ccc([C@@H]4C[C@@H]4C)o3)CC2)c1C#N ZINC000356275884 141333689 /nfs/dbraw/zinc/33/36/89/141333689.db2.gz GDZVOBMNSGIGRT-SWLSCSKDSA-N 1 2 342.468 3.362 20 30 EGEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC000115559004 152018170 /nfs/dbraw/zinc/01/81/70/152018170.db2.gz ACGKOZKEZJBLJM-GOSISDBHSA-N 1 2 337.448 3.287 20 30 EGEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC000115559004 152018176 /nfs/dbraw/zinc/01/81/76/152018176.db2.gz ACGKOZKEZJBLJM-GOSISDBHSA-N 1 2 337.448 3.287 20 30 EGEDLO N#Cc1ccc(CCC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000302974019 154031449 /nfs/dbraw/zinc/03/14/49/154031449.db2.gz GUSKWDMLZPCWBI-UHFFFAOYSA-N 1 2 348.381 3.132 20 30 EGEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1cccc(C#N)c1F ZINC000337467596 154369003 /nfs/dbraw/zinc/36/90/03/154369003.db2.gz UOAOHAGMMYNEKD-OAHLLOKOSA-N 1 2 339.414 3.349 20 30 EGEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1cccc(C#N)c1F ZINC000337467596 154369005 /nfs/dbraw/zinc/36/90/05/154369005.db2.gz UOAOHAGMMYNEKD-OAHLLOKOSA-N 1 2 339.414 3.349 20 30 EGEDLO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1c(F)cccc1F ZINC000339601883 154892434 /nfs/dbraw/zinc/89/24/34/154892434.db2.gz XHANDWYILBVGSU-UHFFFAOYSA-N 1 2 332.350 3.356 20 30 EGEDLO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1c(F)cccc1F ZINC000339601883 154892436 /nfs/dbraw/zinc/89/24/36/154892436.db2.gz XHANDWYILBVGSU-UHFFFAOYSA-N 1 2 332.350 3.356 20 30 EGEDLO COc1ccc(C[N@@H+]2CCc3c(ccc(OC)c3OC)C2)cc1C#N ZINC000340999940 155121442 /nfs/dbraw/zinc/12/14/42/155121442.db2.gz PZEJGCHXYBNPEK-UHFFFAOYSA-N 1 2 338.407 3.142 20 30 EGEDLO COc1ccc(C[N@H+]2CCc3c(ccc(OC)c3OC)C2)cc1C#N ZINC000340999940 155121445 /nfs/dbraw/zinc/12/14/45/155121445.db2.gz PZEJGCHXYBNPEK-UHFFFAOYSA-N 1 2 338.407 3.142 20 30 EGEDLO N#Cc1cc(Br)ccc1C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000346977201 156226332 /nfs/dbraw/zinc/22/63/32/156226332.db2.gz WJEDDXGNGDDZOZ-MRXNPFEDSA-N 1 2 349.203 3.283 20 30 EGEDLO N#Cc1ccccc1OCC[N@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000354490452 156548758 /nfs/dbraw/zinc/54/87/58/156548758.db2.gz GUICWCPBNPDGJR-UHFFFAOYSA-N 1 2 332.407 3.363 20 30 EGEDLO N#Cc1ccccc1OCC[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000354490452 156548765 /nfs/dbraw/zinc/54/87/65/156548765.db2.gz GUICWCPBNPDGJR-UHFFFAOYSA-N 1 2 332.407 3.363 20 30 EGEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)Cc2cccc(C#N)c2)c1 ZINC000114232875 162223808 /nfs/dbraw/zinc/22/38/08/162223808.db2.gz LGUBTLQDQXIRJH-UHFFFAOYSA-N 1 2 330.391 3.325 20 30 EGEDLO CC[N@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000125221006 162267582 /nfs/dbraw/zinc/26/75/82/162267582.db2.gz FQMSUOBNAVSDDZ-QGZVFWFLSA-N 1 2 325.437 3.247 20 30 EGEDLO CC[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000125221006 162267584 /nfs/dbraw/zinc/26/75/84/162267584.db2.gz FQMSUOBNAVSDDZ-QGZVFWFLSA-N 1 2 325.437 3.247 20 30 EGEDLO Cc1cc(Cl)ccc1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000248741036 163031465 /nfs/dbraw/zinc/03/14/65/163031465.db2.gz REDKNVDBHPVINX-CQSZACIVSA-N 1 2 341.846 3.021 20 30 EGEDLO Cc1cc(Cl)ccc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000248741036 163031467 /nfs/dbraw/zinc/03/14/67/163031467.db2.gz REDKNVDBHPVINX-CQSZACIVSA-N 1 2 341.846 3.021 20 30 EGEDLO CC(C)[C@H](NC(=O)CSCc1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000352128532 165248392 /nfs/dbraw/zinc/24/83/92/165248392.db2.gz FYFYSOSRMJVOBV-INIZCTEOSA-N 1 2 328.441 3.028 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NCc1ccc(C#N)cc1F)c1cccc(F)c1 ZINC000355794130 166311391 /nfs/dbraw/zinc/31/13/91/166311391.db2.gz CYHHEVVYDASTLP-GOSISDBHSA-N 1 2 338.361 3.449 20 30 EGEDLO C[C@H](Cn1cc[nH+]c1)Nc1c(C#N)cnc2c(F)ccc(Cl)c21 ZINC000357310238 166643251 /nfs/dbraw/zinc/64/32/51/166643251.db2.gz GKFCUZYBPBSHMQ-SNVBAGLBSA-N 1 2 329.766 3.018 20 30 EGEDLO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1 ZINC000089141045 264936439 /nfs/dbraw/zinc/93/64/39/264936439.db2.gz FWQFJXVFMSBDON-UGSOOPFHSA-N 1 2 326.371 3.337 20 30 EGEDLO N#Cc1cccc(C(=O)Nc2c[nH+]c3n2CCCC3)c1Br ZINC000452331096 270053328 /nfs/dbraw/zinc/05/33/28/270053328.db2.gz JOELZYBHDJWJAB-UHFFFAOYSA-N 1 2 345.200 3.106 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+](Cc2ccccn2)C(C)C)c(C#N)c1C ZINC000533243248 270060942 /nfs/dbraw/zinc/06/09/42/270060942.db2.gz QRWHMCKWLAPGAW-UHFFFAOYSA-N 1 2 342.468 3.481 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+](Cc2ccccn2)C(C)C)c(C#N)c1C ZINC000533243248 270060944 /nfs/dbraw/zinc/06/09/44/270060944.db2.gz QRWHMCKWLAPGAW-UHFFFAOYSA-N 1 2 342.468 3.481 20 30 EGEDLO CC(C)(C)c1nc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000292049691 265745011 /nfs/dbraw/zinc/74/50/11/265745011.db2.gz BDFSWHCQIYJPFB-OAHLLOKOSA-N 1 2 342.468 3.361 20 30 EGEDLO CC(C)(C)c1nc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000292049691 265745013 /nfs/dbraw/zinc/74/50/13/265745013.db2.gz BDFSWHCQIYJPFB-OAHLLOKOSA-N 1 2 342.468 3.361 20 30 EGEDLO CC[N@H+](Cc1occc1C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000412026540 267072242 /nfs/dbraw/zinc/07/22/42/267072242.db2.gz LXFKPBYOSAJHIZ-CQSZACIVSA-N 1 2 329.425 3.149 20 30 EGEDLO CC[N@@H+](Cc1occc1C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000412026540 267072243 /nfs/dbraw/zinc/07/22/43/267072243.db2.gz LXFKPBYOSAJHIZ-CQSZACIVSA-N 1 2 329.425 3.149 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000289315052 267137274 /nfs/dbraw/zinc/13/72/74/267137274.db2.gz JMPSLDMPRIYNSG-OAHLLOKOSA-N 1 2 332.407 3.070 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC=C(c2cccnc2)C1 ZINC000289315052 267137283 /nfs/dbraw/zinc/13/72/83/267137283.db2.gz JMPSLDMPRIYNSG-OAHLLOKOSA-N 1 2 332.407 3.070 20 30 EGEDLO Cc1nsc(N2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)c1C#N ZINC000289511462 267697984 /nfs/dbraw/zinc/69/79/84/267697984.db2.gz QZAVPLKLTSOYJP-AWEZNQCLSA-N 1 2 337.452 3.078 20 30 EGEDLO Cc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cn1 ZINC000446912298 268036495 /nfs/dbraw/zinc/03/64/95/268036495.db2.gz NADLUNSYPFXPEI-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO Cc1c[nH]c(-c2ccccc2NC(=O)CNc2cccc(C#N)c2)[nH+]1 ZINC000427183673 268070705 /nfs/dbraw/zinc/07/07/05/268070705.db2.gz WSBNPHOUYSFNEJ-UHFFFAOYSA-N 1 2 331.379 3.307 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]2Cc2ccccc2)c(C#N)c1C ZINC000437832285 268104543 /nfs/dbraw/zinc/10/45/43/268104543.db2.gz FNWKAGXGTRZTDE-PBHICJAKSA-N 1 2 337.423 3.412 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@H]2Cc2ccccc2)c(C#N)c1C ZINC000437832285 268104544 /nfs/dbraw/zinc/10/45/44/268104544.db2.gz FNWKAGXGTRZTDE-PBHICJAKSA-N 1 2 337.423 3.412 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)s1 ZINC000446912371 268221394 /nfs/dbraw/zinc/22/13/94/268221394.db2.gz YBCNMJGNDMTNMY-UHFFFAOYSA-N 1 2 342.855 3.467 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)cc1F ZINC000411975239 268222642 /nfs/dbraw/zinc/22/26/42/268222642.db2.gz BEHHXVUUYXQOEL-FQEVSTJZSA-N 1 2 336.366 3.307 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)cc1F ZINC000411975239 268222645 /nfs/dbraw/zinc/22/26/45/268222645.db2.gz BEHHXVUUYXQOEL-FQEVSTJZSA-N 1 2 336.366 3.307 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](OCC3CC3)C2)cc1Cl ZINC000494706274 268242362 /nfs/dbraw/zinc/24/23/62/268242362.db2.gz DKONIZHMNHBMEY-INIZCTEOSA-N 1 2 347.846 3.041 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](OCC3CC3)C2)cc1Cl ZINC000494706274 268242364 /nfs/dbraw/zinc/24/23/64/268242364.db2.gz DKONIZHMNHBMEY-INIZCTEOSA-N 1 2 347.846 3.041 20 30 EGEDLO N#Cc1cccc(OCC[N@H+]2CCOC[C@@H]2c2ccc(F)cc2)c1 ZINC000451800272 268284676 /nfs/dbraw/zinc/28/46/76/268284676.db2.gz OYTIGCHLPRDEME-LJQANCHMSA-N 1 2 326.371 3.150 20 30 EGEDLO N#Cc1cccc(OCC[N@@H+]2CCOC[C@@H]2c2ccc(F)cc2)c1 ZINC000451800272 268284678 /nfs/dbraw/zinc/28/46/78/268284678.db2.gz OYTIGCHLPRDEME-LJQANCHMSA-N 1 2 326.371 3.150 20 30 EGEDLO N#Cc1ccccc1-c1ccc(CNC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000492869077 268295465 /nfs/dbraw/zinc/29/54/65/268295465.db2.gz UDBCJMNGNXGSGO-KTKRTIGZSA-N 1 2 328.375 3.278 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000287911327 276168692 /nfs/dbraw/zinc/16/86/92/276168692.db2.gz VMINAWUTTVECOG-SFHVURJKSA-N 1 2 327.815 3.398 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000287911327 276168694 /nfs/dbraw/zinc/16/86/94/276168694.db2.gz VMINAWUTTVECOG-SFHVURJKSA-N 1 2 327.815 3.398 20 30 EGEDLO COc1cc(C#N)ccc1OCCOc1cccc(-n2cc[nH+]c2)c1 ZINC000072674409 307381481 /nfs/dbraw/zinc/38/14/81/307381481.db2.gz BFGUYYVUXTWHAE-UHFFFAOYSA-N 1 2 335.363 3.210 20 30 EGEDLO CCc1[nH+]c2ccccc2n1Cc1noc(-c2ncc(C#N)cc2C)n1 ZINC000551396921 315152516 /nfs/dbraw/zinc/15/25/16/315152516.db2.gz ZOJAHMRYGPDRFG-UHFFFAOYSA-N 1 2 344.378 3.272 20 30 EGEDLO COc1cc(OC)c2ncc(C#N)c(NCCc3ccc(C)[nH+]c3)c2c1 ZINC000553389940 315261050 /nfs/dbraw/zinc/26/10/50/315261050.db2.gz MBHZOYYBMBHFLC-UHFFFAOYSA-N 1 2 348.406 3.482 20 30 EGEDLO C=CC[N@H+](Cc1cc(Cl)cc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361179 454556512 /nfs/dbraw/zinc/55/65/12/454556512.db2.gz QSVJGZPLNNOHBF-CQSZACIVSA-N 1 2 334.268 3.169 20 30 EGEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000564508486 316160689 /nfs/dbraw/zinc/16/06/89/316160689.db2.gz QLBPJNFUQBCAME-UHFFFAOYSA-N 1 2 328.803 3.017 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c(C#N)c1C ZINC000176882495 454794853 /nfs/dbraw/zinc/79/48/53/454794853.db2.gz ZOKQUFUEKOVHJG-NSHDSACASA-N 1 2 345.390 3.449 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](C(F)(F)F)C2)c(C#N)c1C ZINC000176882495 454794857 /nfs/dbraw/zinc/79/48/57/454794857.db2.gz ZOKQUFUEKOVHJG-NSHDSACASA-N 1 2 345.390 3.449 20 30 EGEDLO N#Cc1ccc([C@H]([NH2+][C@@H]2CCCc3c(F)cc(F)cc32)C(N)=O)cc1 ZINC000566963798 316550794 /nfs/dbraw/zinc/55/07/94/316550794.db2.gz APMVFBORGCKNAD-MSOLQXFVSA-N 1 2 341.361 3.030 20 30 EGEDLO Cc1cccn2cc(CC(=O)Nc3cc(C#N)c4ccccc4n3)[nH+]c12 ZINC000571323056 317183039 /nfs/dbraw/zinc/18/30/39/317183039.db2.gz LFSXVWCIONVMSQ-UHFFFAOYSA-N 1 2 341.374 3.244 20 30 EGEDLO Cn1c[nH+]cc1CC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000574663022 317624216 /nfs/dbraw/zinc/62/42/16/317624216.db2.gz XGYVZXGLXXAWMS-UHFFFAOYSA-N 1 2 332.363 3.265 20 30 EGEDLO N#CC1(CCC[N@@H+]2CCSC[C@H]2c2nccs2)CCOCC1 ZINC000281530458 456258133 /nfs/dbraw/zinc/25/81/33/456258133.db2.gz ZZNBZQHLZUECLR-AWEZNQCLSA-N 1 2 337.514 3.334 20 30 EGEDLO N#CC1(CCC[N@H+]2CCSC[C@H]2c2nccs2)CCOCC1 ZINC000281530458 456258137 /nfs/dbraw/zinc/25/81/37/456258137.db2.gz ZZNBZQHLZUECLR-AWEZNQCLSA-N 1 2 337.514 3.334 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)c1C#N ZINC000580970313 325315583 /nfs/dbraw/zinc/31/55/83/325315583.db2.gz NKMAUICUHKEDEP-AUUYWEPGSA-N 1 2 335.407 3.323 20 30 EGEDLO COC(=O)c1cccc(C[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)c1C#N ZINC000580970313 325315587 /nfs/dbraw/zinc/31/55/87/325315587.db2.gz NKMAUICUHKEDEP-AUUYWEPGSA-N 1 2 335.407 3.323 20 30 EGEDLO C[C@H](c1cccc(Cl)c1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000581762593 325388907 /nfs/dbraw/zinc/38/89/07/325388907.db2.gz GKQGMILSOGGDPA-CQSZACIVSA-N 1 2 326.831 3.490 20 30 EGEDLO C[C@H]1CCSCC[N@H+]1CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000329169403 456847441 /nfs/dbraw/zinc/84/74/41/456847441.db2.gz JDHHVJAVMRYWDO-JTQLQIEISA-N 1 2 328.507 3.251 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000264531976 455230821 /nfs/dbraw/zinc/23/08/21/455230821.db2.gz ITCNQDKHNRCMGU-UONOGXRCSA-N 1 2 343.456 3.488 20 30 EGEDLO N#Cc1nc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)ccc1Cl ZINC000264548983 455234558 /nfs/dbraw/zinc/23/45/58/455234558.db2.gz WJACRZMRVQPBHL-QGZVFWFLSA-N 1 2 342.830 3.092 20 30 EGEDLO Cc1ccc(Cl)c(N(Cc2[nH]cc[nH+]2)C(=O)CSCC#N)c1 ZINC000440900036 458863246 /nfs/dbraw/zinc/86/32/46/458863246.db2.gz VLZSGUIOQZJKPD-UHFFFAOYSA-N 1 2 334.832 3.162 20 30 EGEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612155262 460554635 /nfs/dbraw/zinc/55/46/35/460554635.db2.gz QXFSUFSIHNZJGE-DQGRQHDSSA-N 1 2 329.488 3.086 20 30 EGEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612155262 460554641 /nfs/dbraw/zinc/55/46/41/460554641.db2.gz QXFSUFSIHNZJGE-DQGRQHDSSA-N 1 2 329.488 3.086 20 30 EGEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000265383163 455316612 /nfs/dbraw/zinc/31/66/12/455316612.db2.gz CYKGBPKKSVFWNN-OAHLLOKOSA-N 1 2 337.398 3.216 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000007017805 453018242 /nfs/dbraw/zinc/01/82/42/453018242.db2.gz RGPUOEJMMJEGFI-INIZCTEOSA-N 1 2 342.270 3.480 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000007017805 453018250 /nfs/dbraw/zinc/01/82/50/453018250.db2.gz RGPUOEJMMJEGFI-INIZCTEOSA-N 1 2 342.270 3.480 20 30 EGEDLO N#CCSCCC[N@@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000173880134 455337344 /nfs/dbraw/zinc/33/73/44/455337344.db2.gz QNSQJMFCIPEFMZ-HNNXBMFYSA-N 1 2 328.840 3.499 20 30 EGEDLO N#CCSCCC[N@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000173880134 455337349 /nfs/dbraw/zinc/33/73/49/455337349.db2.gz QNSQJMFCIPEFMZ-HNNXBMFYSA-N 1 2 328.840 3.499 20 30 EGEDLO Cc1ccc(CCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000014701782 453541467 /nfs/dbraw/zinc/54/14/67/453541467.db2.gz XRDBJWZXGKQIOS-UHFFFAOYSA-N 1 2 347.462 3.144 20 30 EGEDLO CCCc1[nH+]c2ccccc2n1C[C@H](O)COc1ccc(C#N)cc1 ZINC000023387438 453709686 /nfs/dbraw/zinc/70/96/86/453709686.db2.gz SDLJDDXDOFJMPP-INIZCTEOSA-N 1 2 335.407 3.300 20 30 EGEDLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000026323855 453796696 /nfs/dbraw/zinc/79/66/96/453796696.db2.gz DBSVJQOVTJLURL-AWEZNQCLSA-N 1 2 335.407 3.220 20 30 EGEDLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000026323855 453796698 /nfs/dbraw/zinc/79/66/98/453796698.db2.gz DBSVJQOVTJLURL-AWEZNQCLSA-N 1 2 335.407 3.220 20 30 EGEDLO CC[N@@H+](CC(=O)NCCc1ccc(C(C)(C)C)cc1)C[C@H](C)C#N ZINC000066424830 453843852 /nfs/dbraw/zinc/84/38/52/453843852.db2.gz XHISWMHCVKJCGI-MRXNPFEDSA-N 1 2 329.488 3.124 20 30 EGEDLO CC[N@H+](CC(=O)NCCc1ccc(C(C)(C)C)cc1)C[C@H](C)C#N ZINC000066424830 453843854 /nfs/dbraw/zinc/84/38/54/453843854.db2.gz XHISWMHCVKJCGI-MRXNPFEDSA-N 1 2 329.488 3.124 20 30 EGEDLO CCc1ccsc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000052960527 453850968 /nfs/dbraw/zinc/85/09/68/453850968.db2.gz APLOCZXBHDASCQ-UHFFFAOYSA-N 1 2 339.464 3.140 20 30 EGEDLO C[C@H](c1cc(F)ccc1F)[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000053125646 453859919 /nfs/dbraw/zinc/85/99/19/453859919.db2.gz HCKMSCXGJALTLO-GFCCVEGCSA-N 1 2 329.350 3.468 20 30 EGEDLO C[C@H](c1cc(F)ccc1F)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000053125646 453859923 /nfs/dbraw/zinc/85/99/23/453859923.db2.gz HCKMSCXGJALTLO-GFCCVEGCSA-N 1 2 329.350 3.468 20 30 EGEDLO N#C[C@]1(NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CCSC1 ZINC000075137678 453865059 /nfs/dbraw/zinc/86/50/59/453865059.db2.gz KSJZOUYBFYLKFA-QGZVFWFLSA-N 1 2 325.393 3.003 20 30 EGEDLO C[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1nccs1 ZINC000184414536 455378876 /nfs/dbraw/zinc/37/88/76/455378876.db2.gz KEQJEEQKPPEXCX-LBPRGKRZSA-N 1 2 348.859 3.394 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000190794461 455383047 /nfs/dbraw/zinc/38/30/47/455383047.db2.gz AJIFJZXLGAWBNC-AZUAARDMSA-N 1 2 330.472 3.087 20 30 EGEDLO C=CCOc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000075557671 453905026 /nfs/dbraw/zinc/90/50/26/453905026.db2.gz YIXJEDVMBXEZNV-HNNXBMFYSA-N 1 2 341.411 3.003 20 30 EGEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1)C1CC1 ZINC000083422995 453948003 /nfs/dbraw/zinc/94/80/03/453948003.db2.gz CJDBUSCTDUGGBE-IBGZPJMESA-N 1 2 343.858 3.238 20 30 EGEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1)C1CC1 ZINC000083422995 453948006 /nfs/dbraw/zinc/94/80/06/453948006.db2.gz CJDBUSCTDUGGBE-IBGZPJMESA-N 1 2 343.858 3.238 20 30 EGEDLO N#CCCCC[S@](=O)Cc1cn2cc(Br)ccc2[nH+]1 ZINC000083954523 453962051 /nfs/dbraw/zinc/96/20/51/453962051.db2.gz AQLIDWRPKGAWFO-LJQANCHMSA-N 1 2 340.246 3.039 20 30 EGEDLO CCCN(CCC)C(=O)C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000076152582 453972068 /nfs/dbraw/zinc/97/20/68/453972068.db2.gz HUCFLDPNHCVTQV-OALUTQOASA-N 1 2 327.472 3.407 20 30 EGEDLO CCCN(CCC)C(=O)C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000076152582 453972070 /nfs/dbraw/zinc/97/20/70/453972070.db2.gz HUCFLDPNHCVTQV-OALUTQOASA-N 1 2 327.472 3.407 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1ccco1)Cc1cccs1 ZINC000076652057 454022689 /nfs/dbraw/zinc/02/26/89/454022689.db2.gz FDOSKBRNYVZANH-OAHLLOKOSA-N 1 2 345.468 3.351 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000076652057 454022691 /nfs/dbraw/zinc/02/26/91/454022691.db2.gz FDOSKBRNYVZANH-OAHLLOKOSA-N 1 2 345.468 3.351 20 30 EGEDLO C[C@H](c1ccco1)[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1CC1 ZINC000086232980 454044381 /nfs/dbraw/zinc/04/43/81/454044381.db2.gz ZUQMEGGDMFOZSL-OAHLLOKOSA-N 1 2 329.444 3.490 20 30 EGEDLO C[C@H](c1ccco1)[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1CC1 ZINC000086232980 454044383 /nfs/dbraw/zinc/04/43/83/454044383.db2.gz ZUQMEGGDMFOZSL-OAHLLOKOSA-N 1 2 329.444 3.490 20 30 EGEDLO C=CCC[C@@H](O)C[N@@H+]1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000245977731 455408891 /nfs/dbraw/zinc/40/88/91/455408891.db2.gz CGGOBOYVWURSSP-HZPDHXFCSA-N 1 2 340.261 3.150 20 30 EGEDLO C=CCC[C@@H](O)C[N@H+]1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000245977731 455408896 /nfs/dbraw/zinc/40/88/96/455408896.db2.gz CGGOBOYVWURSSP-HZPDHXFCSA-N 1 2 340.261 3.150 20 30 EGEDLO C=C(Cl)CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000077274578 454084497 /nfs/dbraw/zinc/08/44/97/454084497.db2.gz SMVNKEYBSQAKFO-ZIAGYGMSSA-N 1 2 337.851 3.170 20 30 EGEDLO C=CCN(Cc1ccccc1F)C(=O)NCCCNc1cccc[nH+]1 ZINC000056873981 454087098 /nfs/dbraw/zinc/08/70/98/454087098.db2.gz YHKKQBPDKJADAB-UHFFFAOYSA-N 1 2 342.418 3.421 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000069302881 454092794 /nfs/dbraw/zinc/09/27/94/454092794.db2.gz DEKMWOKVPLTUAM-MRXNPFEDSA-N 1 2 342.270 3.480 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000069302881 454092795 /nfs/dbraw/zinc/09/27/95/454092795.db2.gz DEKMWOKVPLTUAM-MRXNPFEDSA-N 1 2 342.270 3.480 20 30 EGEDLO COCC[N@H+](Cc1ccsc1C(=O)OC)Cc1ccc(C#N)cc1 ZINC000088501552 454109064 /nfs/dbraw/zinc/10/90/64/454109064.db2.gz YOYVTDDANSBVMZ-UHFFFAOYSA-N 1 2 344.436 3.055 20 30 EGEDLO COCC[N@@H+](Cc1ccsc1C(=O)OC)Cc1ccc(C#N)cc1 ZINC000088501552 454109067 /nfs/dbraw/zinc/10/90/67/454109067.db2.gz YOYVTDDANSBVMZ-UHFFFAOYSA-N 1 2 344.436 3.055 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(C#N)CC1 ZINC000057907916 454156576 /nfs/dbraw/zinc/15/65/76/454156576.db2.gz HLEGGJVWFGWUGP-NSHDSACASA-N 1 2 325.334 3.268 20 30 EGEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC000184661838 455423208 /nfs/dbraw/zinc/42/32/08/455423208.db2.gz RHHULZNAZXOCID-CABCVRRESA-N 1 2 326.469 3.455 20 30 EGEDLO CCN(CC)c1ccc(CNC(=O)/C=C/c2cccc(C#N)c2)c[nH+]1 ZINC000058350281 454190892 /nfs/dbraw/zinc/19/08/92/454190892.db2.gz ZPEWHYKGIMVLST-PKNBQFBNSA-N 1 2 334.423 3.129 20 30 EGEDLO Cc1ccc(C#N)cc1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000058451742 454205671 /nfs/dbraw/zinc/20/56/71/454205671.db2.gz KIWUICRLAFYISQ-UHFFFAOYSA-N 1 2 331.379 3.374 20 30 EGEDLO CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccccn1 ZINC000119858970 454229001 /nfs/dbraw/zinc/22/90/01/454229001.db2.gz ZBQANLPYMARMBJ-UHFFFAOYSA-N 1 2 328.441 3.092 20 30 EGEDLO CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccccn1 ZINC000119858970 454229004 /nfs/dbraw/zinc/22/90/04/454229004.db2.gz ZBQANLPYMARMBJ-UHFFFAOYSA-N 1 2 328.441 3.092 20 30 EGEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000131044048 454233119 /nfs/dbraw/zinc/23/31/19/454233119.db2.gz GJRODEUKYZNLLB-IBGZPJMESA-N 1 2 335.407 3.011 20 30 EGEDLO C[N@H+](Cc1cccc(C#N)c1)CN1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000131044048 454233123 /nfs/dbraw/zinc/23/31/23/454233123.db2.gz GJRODEUKYZNLLB-IBGZPJMESA-N 1 2 335.407 3.011 20 30 EGEDLO Cn1c2ccc(NC(=O)CNc3ccc(C#N)cc3)cc2[nH+]c1C1CC1 ZINC000089988317 454255751 /nfs/dbraw/zinc/25/57/51/454255751.db2.gz HAQUWVIWVIGEIQ-UHFFFAOYSA-N 1 2 345.406 3.373 20 30 EGEDLO C[C@@H]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000131967270 454302518 /nfs/dbraw/zinc/30/25/18/454302518.db2.gz IXTIZAQBCPZWNF-MLGOLLRUSA-N 1 2 328.803 3.131 20 30 EGEDLO C[C@H]1SCC[N@H+](CC(=O)Nc2ccccc2SCC#N)[C@@H]1C ZINC000072665672 454324402 /nfs/dbraw/zinc/32/44/02/454324402.db2.gz MFOGCGQVPGISNV-CHWSQXEVSA-N 1 2 335.498 3.067 20 30 EGEDLO C[C@H]1SCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)[C@@H]1C ZINC000072665672 454324405 /nfs/dbraw/zinc/32/44/05/454324405.db2.gz MFOGCGQVPGISNV-CHWSQXEVSA-N 1 2 335.498 3.067 20 30 EGEDLO N#CC1CC[NH+](CC(=O)N(Cc2ccco2)Cc2ccccc2)CC1 ZINC000061040407 454326455 /nfs/dbraw/zinc/32/64/55/454326455.db2.gz SZLPRHUKOULQOC-UHFFFAOYSA-N 1 2 337.423 3.044 20 30 EGEDLO CC[C@H]1C[N@H+](CC(=O)Nc2ccccc2SCC#N)CCS1 ZINC000072862620 454354113 /nfs/dbraw/zinc/35/41/13/454354113.db2.gz XQCOKBDNQDCIRB-ZDUSSCGKSA-N 1 2 335.498 3.068 20 30 EGEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccccc2SCC#N)CCS1 ZINC000072862620 454354115 /nfs/dbraw/zinc/35/41/15/454354115.db2.gz XQCOKBDNQDCIRB-ZDUSSCGKSA-N 1 2 335.498 3.068 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000120838939 454354303 /nfs/dbraw/zinc/35/43/03/454354303.db2.gz RISBZADIWXNUNT-ZOBUZTSGSA-N 1 2 336.501 3.323 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000120838939 454354310 /nfs/dbraw/zinc/35/43/10/454354310.db2.gz RISBZADIWXNUNT-ZOBUZTSGSA-N 1 2 336.501 3.323 20 30 EGEDLO CC(C)CO[C@@H](C)C(N)=[NH+]O[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000072921324 454363347 /nfs/dbraw/zinc/36/33/47/454363347.db2.gz RILBCDQPLPTTGL-KBPBESRZSA-N 1 2 346.431 3.071 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1cc(Br)cs1 ZINC000047751488 454405010 /nfs/dbraw/zinc/40/50/10/454405010.db2.gz UAMNNVZYKZTBGG-UHFFFAOYSA-N 1 2 345.306 3.367 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1cc(Br)cs1 ZINC000047751488 454405015 /nfs/dbraw/zinc/40/50/15/454405015.db2.gz UAMNNVZYKZTBGG-UHFFFAOYSA-N 1 2 345.306 3.367 20 30 EGEDLO C=CC[N@@H+](CC(=O)N(CC(C)C)C(C)C)Cc1cccc(C#N)c1 ZINC000063299827 454403992 /nfs/dbraw/zinc/40/39/92/454403992.db2.gz IHOMZKSLJYGNQO-UHFFFAOYSA-N 1 2 327.472 3.439 20 30 EGEDLO C=CC[N@H+](CC(=O)N(CC(C)C)C(C)C)Cc1cccc(C#N)c1 ZINC000063299827 454403998 /nfs/dbraw/zinc/40/39/98/454403998.db2.gz IHOMZKSLJYGNQO-UHFFFAOYSA-N 1 2 327.472 3.439 20 30 EGEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc1F ZINC000063508181 454420167 /nfs/dbraw/zinc/42/01/67/454420167.db2.gz RCLMLDGBSJRJKL-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc[nH+]cc2C)cc1 ZINC000121671753 454464729 /nfs/dbraw/zinc/46/47/29/454464729.db2.gz WKJQODSVLYXDHC-UHFFFAOYSA-N 1 2 325.372 3.342 20 30 EGEDLO CC[N@@H+](CC(=O)NCc1ccccc1OC1CCCC1)C[C@H](C)C#N ZINC000064249118 454469992 /nfs/dbraw/zinc/46/99/92/454469992.db2.gz DXDXXAVRUHKXAP-MRXNPFEDSA-N 1 2 343.471 3.106 20 30 EGEDLO CC[N@H+](CC(=O)NCc1ccccc1OC1CCCC1)C[C@H](C)C#N ZINC000064249118 454469995 /nfs/dbraw/zinc/46/99/95/454469995.db2.gz DXDXXAVRUHKXAP-MRXNPFEDSA-N 1 2 343.471 3.106 20 30 EGEDLO N#CCCN(C(=O)C[N@@H+]1CCc2cc(F)ccc2C1)c1ccccc1 ZINC000091893140 454486111 /nfs/dbraw/zinc/48/61/11/454486111.db2.gz PFNJDYBOPQQXCB-UHFFFAOYSA-N 1 2 337.398 3.131 20 30 EGEDLO N#CCCN(C(=O)C[N@H+]1CCc2cc(F)ccc2C1)c1ccccc1 ZINC000091893140 454486113 /nfs/dbraw/zinc/48/61/13/454486113.db2.gz PFNJDYBOPQQXCB-UHFFFAOYSA-N 1 2 337.398 3.131 20 30 EGEDLO C=CCOCCCC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000080109556 454535422 /nfs/dbraw/zinc/53/54/22/454535422.db2.gz WQJVZTPHPVGWDD-UHFFFAOYSA-N 1 2 331.460 3.061 20 30 EGEDLO C=CC[N@@H+](Cc1cc(Cl)cc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361179 454556505 /nfs/dbraw/zinc/55/65/05/454556505.db2.gz QSVJGZPLNNOHBF-CQSZACIVSA-N 1 2 334.268 3.169 20 30 EGEDLO COC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](Cc1cccc(C#N)c1)CC3 ZINC000104723438 454599214 /nfs/dbraw/zinc/59/92/14/454599214.db2.gz RBHCRICHCPZILA-UHFFFAOYSA-N 1 2 345.402 3.384 20 30 EGEDLO COC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1cccc(C#N)c1)CC3 ZINC000104723438 454599221 /nfs/dbraw/zinc/59/92/21/454599221.db2.gz RBHCRICHCPZILA-UHFFFAOYSA-N 1 2 345.402 3.384 20 30 EGEDLO N#CCCCOc1cccc(C[N@H+]2CCNC(=O)[C@H]2c2ccccc2)c1 ZINC000092675348 454607887 /nfs/dbraw/zinc/60/78/87/454607887.db2.gz QOHBJBXSLQEYNQ-HXUWFJFHSA-N 1 2 349.434 3.042 20 30 EGEDLO N#CCCCOc1cccc(C[N@@H+]2CCNC(=O)[C@H]2c2ccccc2)c1 ZINC000092675348 454607892 /nfs/dbraw/zinc/60/78/92/454607892.db2.gz QOHBJBXSLQEYNQ-HXUWFJFHSA-N 1 2 349.434 3.042 20 30 EGEDLO C[C@H](/N=C/c1cc(Cl)cc(Cl)c1O)[C@H](C)[NH+]1CCOCC1 ZINC000105356564 454636071 /nfs/dbraw/zinc/63/60/71/454636071.db2.gz VKPFJJLFWBQVJX-WCLGICPRSA-N 1 2 331.243 3.227 20 30 EGEDLO N#Cc1ccc2nc(N3CCC[N@H+](Cc4cscn4)CC3)ccc2c1 ZINC000092894608 454651752 /nfs/dbraw/zinc/65/17/52/454651752.db2.gz NJELLFNMTQLGOR-UHFFFAOYSA-N 1 2 349.463 3.275 20 30 EGEDLO N#Cc1ccc2nc(N3CCC[N@@H+](Cc4cscn4)CC3)ccc2c1 ZINC000092894608 454651757 /nfs/dbraw/zinc/65/17/57/454651757.db2.gz NJELLFNMTQLGOR-UHFFFAOYSA-N 1 2 349.463 3.275 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCO[C@](C)(CC)C1 ZINC000135630905 454695351 /nfs/dbraw/zinc/69/53/51/454695351.db2.gz WKRRSEJUKFLLIZ-MAUKXSAKSA-N 1 2 336.501 3.152 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCO[C@](C)(CC)C1 ZINC000135630905 454695352 /nfs/dbraw/zinc/69/53/52/454695352.db2.gz WKRRSEJUKFLLIZ-MAUKXSAKSA-N 1 2 336.501 3.152 20 30 EGEDLO Cc1cccc2[nH+]c(CN3CCN([C@@H](C#N)c4ccccc4)CC3)cn21 ZINC000176154115 454705272 /nfs/dbraw/zinc/70/52/72/454705272.db2.gz XBUQVNIJZWZWNK-FQEVSTJZSA-N 1 2 345.450 3.025 20 30 EGEDLO Cc1ccc([C@H]2COCC[N@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)o1 ZINC000093459784 454717026 /nfs/dbraw/zinc/71/70/26/454717026.db2.gz KLZQSHCKOPVMND-MAUKXSAKSA-N 1 2 326.396 3.452 20 30 EGEDLO Cc1ccc([C@H]2COCC[N@@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)o1 ZINC000093459784 454717028 /nfs/dbraw/zinc/71/70/28/454717028.db2.gz KLZQSHCKOPVMND-MAUKXSAKSA-N 1 2 326.396 3.452 20 30 EGEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc(C#N)cn3)CC2)cc1 ZINC000107538078 454762300 /nfs/dbraw/zinc/76/23/00/454762300.db2.gz URYDYAGLHODILX-UHFFFAOYSA-N 1 2 348.450 3.035 20 30 EGEDLO C=CC[N@H+](CC(=O)NCc1cccnc1)Cc1ccc(Cl)s1 ZINC000109826396 454838184 /nfs/dbraw/zinc/83/81/84/454838184.db2.gz WKIHNVUVAQCIMA-UHFFFAOYSA-N 1 2 335.860 3.101 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCc1cccnc1)Cc1ccc(Cl)s1 ZINC000109826396 454838189 /nfs/dbraw/zinc/83/81/89/454838189.db2.gz WKIHNVUVAQCIMA-UHFFFAOYSA-N 1 2 335.860 3.101 20 30 EGEDLO CCCO[C@@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000246306937 455467199 /nfs/dbraw/zinc/46/71/99/455467199.db2.gz CFYINACOMSCDKK-QZTJIDSGSA-N 1 2 330.428 3.053 20 30 EGEDLO CCCO[C@@H]1CCC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000246306937 455467202 /nfs/dbraw/zinc/46/72/02/455467202.db2.gz CFYINACOMSCDKK-QZTJIDSGSA-N 1 2 330.428 3.053 20 30 EGEDLO Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(F)c(C#N)c2)c1C ZINC000177504593 454871364 /nfs/dbraw/zinc/87/13/64/454871364.db2.gz ZSLNWWVBEJEVJR-UHFFFAOYSA-N 1 2 325.387 3.385 20 30 EGEDLO Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(F)c(C#N)c2)c1C ZINC000177504593 454871367 /nfs/dbraw/zinc/87/13/67/454871367.db2.gz ZSLNWWVBEJEVJR-UHFFFAOYSA-N 1 2 325.387 3.385 20 30 EGEDLO N#Cc1cc(C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)ccc1F ZINC000160655654 455485216 /nfs/dbraw/zinc/48/52/16/455485216.db2.gz RTQOQTBEHFJZDW-UHFFFAOYSA-N 1 2 338.382 3.498 20 30 EGEDLO C=CCNc1ncc(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)s1 ZINC000126853100 454922458 /nfs/dbraw/zinc/92/24/58/454922458.db2.gz LDCMEHVRWNHXTC-UHFFFAOYSA-N 1 2 339.424 3.394 20 30 EGEDLO CCN(CC#N)C(=O)c1ccccc1OCc1cn2cc(C)ccc2[nH+]1 ZINC000154975392 454949884 /nfs/dbraw/zinc/94/98/84/454949884.db2.gz BSUUXZTUFMHFJK-UHFFFAOYSA-N 1 2 348.406 3.207 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c(F)c1 ZINC000127375034 454958834 /nfs/dbraw/zinc/95/88/34/454958834.db2.gz ORHLBEQYPGTQCP-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000114806870 454980607 /nfs/dbraw/zinc/98/06/07/454980607.db2.gz VLWNSTHFTHVUBW-INIZCTEOSA-N 1 2 349.438 3.058 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCO[C@@H](C)C1 ZINC000170986177 455010697 /nfs/dbraw/zinc/01/06/97/455010697.db2.gz AFSNAKAPXHHREJ-GJZGRUSLSA-N 1 2 347.484 3.130 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCO[C@@H](C)C1 ZINC000170986177 455010701 /nfs/dbraw/zinc/01/07/01/455010701.db2.gz AFSNAKAPXHHREJ-GJZGRUSLSA-N 1 2 347.484 3.130 20 30 EGEDLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000128049082 455022028 /nfs/dbraw/zinc/02/20/28/455022028.db2.gz QOMMFMIUUAQILJ-GFCCVEGCSA-N 1 2 328.803 3.238 20 30 EGEDLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000128049082 455022029 /nfs/dbraw/zinc/02/20/29/455022029.db2.gz QOMMFMIUUAQILJ-GFCCVEGCSA-N 1 2 328.803 3.238 20 30 EGEDLO C=CCNC(=O)c1ccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000117622730 455089694 /nfs/dbraw/zinc/08/96/94/455089694.db2.gz MYCZKUSQOKTKPH-UHFFFAOYSA-N 1 2 346.390 3.040 20 30 EGEDLO Cc1ccc([C@@H]2COCC[N@@H+]2CCCOc2cccc(C#N)c2)o1 ZINC000156438016 455118347 /nfs/dbraw/zinc/11/83/47/455118347.db2.gz NXPLNNZVKRMPIT-SFHVURJKSA-N 1 2 326.396 3.302 20 30 EGEDLO Cc1ccc([C@@H]2COCC[N@H+]2CCCOc2cccc(C#N)c2)o1 ZINC000156438016 455118348 /nfs/dbraw/zinc/11/83/48/455118348.db2.gz NXPLNNZVKRMPIT-SFHVURJKSA-N 1 2 326.396 3.302 20 30 EGEDLO C=CCOc1cccc(C[NH+]2CCN(C(=O)c3cccs3)CC2)c1 ZINC000119097059 455124959 /nfs/dbraw/zinc/12/49/59/455124959.db2.gz UOEYQUFGOLQPQJ-UHFFFAOYSA-N 1 2 342.464 3.271 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000180268898 455153503 /nfs/dbraw/zinc/15/35/03/455153503.db2.gz KHSKXUIKDRHDJF-UHFFFAOYSA-N 1 2 340.814 3.210 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000180268898 455153504 /nfs/dbraw/zinc/15/35/04/455153504.db2.gz KHSKXUIKDRHDJF-UHFFFAOYSA-N 1 2 340.814 3.210 20 30 EGEDLO CN(CCC#N)c1ccc(C[NH2+][C@H](CO)c2c(F)cccc2F)cc1 ZINC000265261850 455302993 /nfs/dbraw/zinc/30/29/93/455302993.db2.gz QWYPVIICHQGORJ-GOSISDBHSA-N 1 2 345.393 3.138 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000173549186 455303126 /nfs/dbraw/zinc/30/31/26/455303126.db2.gz VUDLBJFSBKCTIV-UHFFFAOYSA-N 1 2 345.443 3.048 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000173549186 455303131 /nfs/dbraw/zinc/30/31/31/455303131.db2.gz VUDLBJFSBKCTIV-UHFFFAOYSA-N 1 2 345.443 3.048 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)Nc1ccc(OC)c(OC)c1 ZINC000173550789 455304157 /nfs/dbraw/zinc/30/41/57/455304157.db2.gz RXQWQZFZQMVDOO-UHFFFAOYSA-N 1 2 347.459 3.294 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)Nc1ccc(OC)c(OC)c1 ZINC000173550789 455304161 /nfs/dbraw/zinc/30/41/61/455304161.db2.gz RXQWQZFZQMVDOO-UHFFFAOYSA-N 1 2 347.459 3.294 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000173553858 455304960 /nfs/dbraw/zinc/30/49/60/455304960.db2.gz ZOLZECVMLBDYDC-UHFFFAOYSA-N 1 2 346.431 3.494 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000173553858 455304964 /nfs/dbraw/zinc/30/49/64/455304964.db2.gz ZOLZECVMLBDYDC-UHFFFAOYSA-N 1 2 346.431 3.494 20 30 EGEDLO COc1ccc2c(c1)C[N@@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)CC2 ZINC000173568114 455306957 /nfs/dbraw/zinc/30/69/57/455306957.db2.gz UTQLTJVECLVGGG-UHFFFAOYSA-N 1 2 346.390 3.175 20 30 EGEDLO COc1ccc2c(c1)C[N@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)CC2 ZINC000173568114 455306960 /nfs/dbraw/zinc/30/69/60/455306960.db2.gz UTQLTJVECLVGGG-UHFFFAOYSA-N 1 2 346.390 3.175 20 30 EGEDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000245670380 455351593 /nfs/dbraw/zinc/35/15/93/455351593.db2.gz PFIULJQXPPNJPI-FZKQIMNGSA-N 1 2 348.516 3.376 20 30 EGEDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000245670380 455351596 /nfs/dbraw/zinc/35/15/96/455351596.db2.gz PFIULJQXPPNJPI-FZKQIMNGSA-N 1 2 348.516 3.376 20 30 EGEDLO CC(C)COC[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccco1 ZINC000184197033 455361262 /nfs/dbraw/zinc/36/12/62/455361262.db2.gz HKIFDCODSMSWQO-QGZVFWFLSA-N 1 2 341.411 3.093 20 30 EGEDLO O=C1c2c(cc(F)cc2F)O/C1=C\c1[nH+]ccn1CC(F)(F)F ZINC000184350173 455373073 /nfs/dbraw/zinc/37/30/73/455373073.db2.gz CVCBREUZYUUMDZ-YHYXMXQVSA-N 1 2 330.212 3.340 20 30 EGEDLO C#CCN(C)C(=O)c1ccc(SCc2cn3ccccc3[nH+]2)cc1 ZINC000191004058 455423087 /nfs/dbraw/zinc/42/30/87/455423087.db2.gz RLJJISAQBKXYEG-UHFFFAOYSA-N 1 2 335.432 3.332 20 30 EGEDLO Cn1cc([C@H]2CSCC[N@@H+]2CC#Cc2ccc(Cl)cc2)cn1 ZINC000191199087 455462490 /nfs/dbraw/zinc/46/24/90/455462490.db2.gz IALZKGZYKIPDFY-QGZVFWFLSA-N 1 2 331.872 3.215 20 30 EGEDLO Cn1cc([C@H]2CSCC[N@H+]2CC#Cc2ccc(Cl)cc2)cn1 ZINC000191199087 455462495 /nfs/dbraw/zinc/46/24/95/455462495.db2.gz IALZKGZYKIPDFY-QGZVFWFLSA-N 1 2 331.872 3.215 20 30 EGEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000266860710 455463869 /nfs/dbraw/zinc/46/38/69/455463869.db2.gz JQQYXDLXCZWIHQ-SFHVURJKSA-N 1 2 339.826 3.275 20 30 EGEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000266860710 455463873 /nfs/dbraw/zinc/46/38/73/455463873.db2.gz JQQYXDLXCZWIHQ-SFHVURJKSA-N 1 2 339.826 3.275 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184892807 455467405 /nfs/dbraw/zinc/46/74/05/455467405.db2.gz XWZXIZHIFBNKRC-HNNXBMFYSA-N 1 2 327.428 3.417 20 30 EGEDLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)s1 ZINC000246792220 455525720 /nfs/dbraw/zinc/52/57/20/455525720.db2.gz PDFDFLOPPHMPNS-CXAGYDPISA-N 1 2 336.505 3.061 20 30 EGEDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)s1 ZINC000246792220 455525723 /nfs/dbraw/zinc/52/57/23/455525723.db2.gz PDFDFLOPPHMPNS-CXAGYDPISA-N 1 2 336.505 3.061 20 30 EGEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000292231461 455603295 /nfs/dbraw/zinc/60/32/95/455603295.db2.gz PPDHWAACPZFDSS-CYBMUJFWSA-N 1 2 329.227 3.135 20 30 EGEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000292231461 455603300 /nfs/dbraw/zinc/60/33/00/455603300.db2.gz PPDHWAACPZFDSS-CYBMUJFWSA-N 1 2 329.227 3.135 20 30 EGEDLO C=CC[N@H+](Cc1csc(CNC(=O)c2ccccc2)n1)C1CC1 ZINC000271373621 455613898 /nfs/dbraw/zinc/61/38/98/455613898.db2.gz HFXWXVRAXQOECK-UHFFFAOYSA-N 1 2 327.453 3.224 20 30 EGEDLO C=CC[N@@H+](Cc1csc(CNC(=O)c2ccccc2)n1)C1CC1 ZINC000271373621 455613902 /nfs/dbraw/zinc/61/39/02/455613902.db2.gz HFXWXVRAXQOECK-UHFFFAOYSA-N 1 2 327.453 3.224 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)C1CC1 ZINC000271398178 455622929 /nfs/dbraw/zinc/62/29/29/455622929.db2.gz LCFLNOPLKWJDIN-UHFFFAOYSA-N 1 2 345.187 3.316 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)C1CC1 ZINC000271398178 455622931 /nfs/dbraw/zinc/62/29/31/455622931.db2.gz LCFLNOPLKWJDIN-UHFFFAOYSA-N 1 2 345.187 3.316 20 30 EGEDLO CC#CCCCC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000186109297 455695889 /nfs/dbraw/zinc/69/58/89/455695889.db2.gz MGOHWSBHJZMMDQ-PKOBYXMFSA-N 1 2 348.874 3.022 20 30 EGEDLO CC#CCCCC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000186109297 455695893 /nfs/dbraw/zinc/69/58/93/455695893.db2.gz MGOHWSBHJZMMDQ-PKOBYXMFSA-N 1 2 348.874 3.022 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)CCc1c[nH+]cn1C ZINC000193206666 455747029 /nfs/dbraw/zinc/74/70/29/455747029.db2.gz HVSJWRPTWPGQSX-ZDUSSCGKSA-N 1 2 328.441 3.386 20 30 EGEDLO CCN(CCC#N)C(=O)C[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000271772167 455753666 /nfs/dbraw/zinc/75/36/66/455753666.db2.gz IYHLRRMDUDPSBL-UHFFFAOYSA-N 1 2 340.254 3.334 20 30 EGEDLO C[C@@H](c1nnc(S[C@@H](C#N)C2CC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000601071400 460699449 /nfs/dbraw/zinc/69/94/49/460699449.db2.gz XCBDDVZSPYXUOA-NHYWBVRUSA-N 1 2 345.447 3.423 20 30 EGEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000278348236 455825453 /nfs/dbraw/zinc/82/54/53/455825453.db2.gz QAHXMCGUFDGKRR-UHFFFAOYSA-N 1 2 329.350 3.275 20 30 EGEDLO COc1cc(C(N)=[NH+]OCCCC(C)(C)C#N)cc(Cl)c1OC ZINC000269301939 455831051 /nfs/dbraw/zinc/83/10/51/455831051.db2.gz CKDYEDCSDKOKIG-UHFFFAOYSA-N 1 2 339.823 3.324 20 30 EGEDLO Cc1cc(NC(=O)N2CC(C)(C#N)C2)c[nH+]c1N1CCCC[C@H]1C ZINC000285492766 455856688 /nfs/dbraw/zinc/85/66/88/455856688.db2.gz ODAURXNUYMUGCA-CQSZACIVSA-N 1 2 327.432 3.146 20 30 EGEDLO CCC[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)CC(F)F ZINC000279330749 455862035 /nfs/dbraw/zinc/86/20/35/455862035.db2.gz CVEHJHCGDOUOIL-UHFFFAOYSA-N 1 2 333.386 3.336 20 30 EGEDLO CCC[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)CC(F)F ZINC000279330749 455862040 /nfs/dbraw/zinc/86/20/40/455862040.db2.gz CVEHJHCGDOUOIL-UHFFFAOYSA-N 1 2 333.386 3.336 20 30 EGEDLO C#CCn1ccc(CN(CC)Cc2c[nH+]c(C)n2-c2ccccc2)n1 ZINC000279465483 455865889 /nfs/dbraw/zinc/86/58/89/455865889.db2.gz UYSAGZHSSZGZIQ-UHFFFAOYSA-N 1 2 333.439 3.033 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)cc1Cl ZINC000279736162 455872772 /nfs/dbraw/zinc/87/27/72/455872772.db2.gz WRDNYUXZCDXTES-RDTXWAMCSA-N 1 2 337.847 3.285 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CCO[C@]3(CCO[C@@H]3C)C2)cc1Cl ZINC000279736162 455872778 /nfs/dbraw/zinc/87/27/78/455872778.db2.gz WRDNYUXZCDXTES-RDTXWAMCSA-N 1 2 337.847 3.285 20 30 EGEDLO Cc1cc(C)c(C#N)c(N2CCc3c([nH+]cn3-c3ccccc3)C2)n1 ZINC000272213322 455878706 /nfs/dbraw/zinc/87/87/06/455878706.db2.gz MCLVHFXMGBYFSX-UHFFFAOYSA-N 1 2 329.407 3.319 20 30 EGEDLO CC(=O)c1cccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000194967693 455906636 /nfs/dbraw/zinc/90/66/36/455906636.db2.gz UYEWBBJKYMAXFF-UHFFFAOYSA-N 1 2 347.418 3.364 20 30 EGEDLO CC(=O)c1cccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000194967693 455906640 /nfs/dbraw/zinc/90/66/40/455906640.db2.gz UYEWBBJKYMAXFF-UHFFFAOYSA-N 1 2 347.418 3.364 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1nc2ccccc2c(=O)n1C ZINC000195514992 455975004 /nfs/dbraw/zinc/97/50/04/455975004.db2.gz DZTNXTACTCAGBF-UHFFFAOYSA-N 1 2 349.434 3.130 20 30 EGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1nc2ccccc2c(=O)n1C ZINC000195514992 455975006 /nfs/dbraw/zinc/97/50/06/455975006.db2.gz DZTNXTACTCAGBF-UHFFFAOYSA-N 1 2 349.434 3.130 20 30 EGEDLO COc1ccc([C@@H](CNc2ccc(C#N)cc2)[NH+]2CCOCC2)cc1 ZINC000280569193 456001598 /nfs/dbraw/zinc/00/15/98/456001598.db2.gz VVTKBSNUJAYYBV-HXUWFJFHSA-N 1 2 337.423 3.052 20 30 EGEDLO Cn1cnnc1C[N@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000286726841 456052988 /nfs/dbraw/zinc/05/29/88/456052988.db2.gz GVLARVJIGNJWEU-UHFFFAOYSA-N 1 2 345.450 3.147 20 30 EGEDLO Cn1cnnc1C[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000286726841 456052994 /nfs/dbraw/zinc/05/29/94/456052994.db2.gz GVLARVJIGNJWEU-UHFFFAOYSA-N 1 2 345.450 3.147 20 30 EGEDLO CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000332575886 456093405 /nfs/dbraw/zinc/09/34/05/456093405.db2.gz YJMDGRMDDIGHDK-RDJZCZTQSA-N 1 2 336.439 3.124 20 30 EGEDLO CC1(C#N)CC[NH+](CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000227353684 456115857 /nfs/dbraw/zinc/11/58/57/456115857.db2.gz FXJJIPRTZZUQAM-UHFFFAOYSA-N 1 2 336.233 3.013 20 30 EGEDLO C#Cc1ccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000289255211 456119208 /nfs/dbraw/zinc/11/92/08/456119208.db2.gz MEHLVQOJFNMSTJ-MSOLQXFVSA-N 1 2 327.449 3.054 20 30 EGEDLO C#Cc1ccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000289255211 456119213 /nfs/dbraw/zinc/11/92/13/456119213.db2.gz MEHLVQOJFNMSTJ-MSOLQXFVSA-N 1 2 327.449 3.054 20 30 EGEDLO C#Cc1ccc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000289255218 456119276 /nfs/dbraw/zinc/11/92/76/456119276.db2.gz MEHLVQOJFNMSTJ-ZWKOTPCHSA-N 1 2 327.449 3.054 20 30 EGEDLO C#Cc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000289255218 456119283 /nfs/dbraw/zinc/11/92/83/456119283.db2.gz MEHLVQOJFNMSTJ-ZWKOTPCHSA-N 1 2 327.449 3.054 20 30 EGEDLO CC1(C)C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H]1[C@H]1CCCO1 ZINC000289370851 456123630 /nfs/dbraw/zinc/12/36/30/456123630.db2.gz AVCPGUCQCSIZFP-NVXWUHKLSA-N 1 2 347.846 3.040 20 30 EGEDLO CC1(C)C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H]1[C@H]1CCCO1 ZINC000289370851 456123635 /nfs/dbraw/zinc/12/36/35/456123635.db2.gz AVCPGUCQCSIZFP-NVXWUHKLSA-N 1 2 347.846 3.040 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289446354 456126291 /nfs/dbraw/zinc/12/62/91/456126291.db2.gz WZIRERDKWDYHOM-RBUKOAKNSA-N 1 2 335.407 3.047 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289446354 456126293 /nfs/dbraw/zinc/12/62/93/456126293.db2.gz WZIRERDKWDYHOM-RBUKOAKNSA-N 1 2 335.407 3.047 20 30 EGEDLO C#Cc1ccccc1CC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000289570858 456130923 /nfs/dbraw/zinc/13/09/23/456130923.db2.gz RVILRRCKUMIHSB-UHFFFAOYSA-N 1 2 347.462 3.302 20 30 EGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CC[C@H](C#N)C3)n2)C1 ZINC000333250508 456185996 /nfs/dbraw/zinc/18/59/96/456185996.db2.gz GSJAONKIJDRCEE-MELADBBJSA-N 1 2 347.488 3.189 20 30 EGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CC[C@H](C#N)C3)n2)C1 ZINC000333250508 456186002 /nfs/dbraw/zinc/18/60/02/456186002.db2.gz GSJAONKIJDRCEE-MELADBBJSA-N 1 2 347.488 3.189 20 30 EGEDLO N#CC1(CCC[NH2+]c2ccc(O[C@@H]3CCOC3)cc2)CCOCC1 ZINC000281298623 456193471 /nfs/dbraw/zinc/19/34/71/456193471.db2.gz TXBRXTWMPISEBS-GOSISDBHSA-N 1 2 330.428 3.367 20 30 EGEDLO C=CCCCCNC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000274607646 456261971 /nfs/dbraw/zinc/26/19/71/456261971.db2.gz SSHZIYRWBBJOCV-INIZCTEOSA-N 1 2 330.407 3.304 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)c1nnnn1-c1ccccc1 ZINC000297713228 456278610 /nfs/dbraw/zinc/27/86/10/456278610.db2.gz BAVPEVRXHNDMTM-MRXNPFEDSA-N 1 2 349.438 3.420 20 30 EGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)c1nnnn1-c1ccccc1 ZINC000297713228 456278614 /nfs/dbraw/zinc/27/86/14/456278614.db2.gz BAVPEVRXHNDMTM-MRXNPFEDSA-N 1 2 349.438 3.420 20 30 EGEDLO C=CCOc1ccccc1C[NH2+]Cc1ncc(C2OCCO2)s1 ZINC000290380779 456311257 /nfs/dbraw/zinc/31/12/57/456311257.db2.gz NWFZNZLQXPPAMN-UHFFFAOYSA-N 1 2 332.425 3.043 20 30 EGEDLO Cc1ccc2[nH+]c(COc3ccccc3C(=O)N(C)[C@@H](C)C#N)cn2c1 ZINC000297870609 456313911 /nfs/dbraw/zinc/31/39/11/456313911.db2.gz UCAUPYSCDGRTDN-HNNXBMFYSA-N 1 2 348.406 3.206 20 30 EGEDLO C[NH+](C)[C@@H](CNc1cc(C#N)ccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000302222439 456322229 /nfs/dbraw/zinc/32/22/29/456322229.db2.gz SUIGNKIVTGDMQD-INIZCTEOSA-N 1 2 346.337 3.459 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)N(CC(C)C)C(C)C)Cc1ccc(CO)o1 ZINC000352803935 456324107 /nfs/dbraw/zinc/32/41/07/456324107.db2.gz OXIWCMYSVCCIKA-UHFFFAOYSA-N 1 2 336.476 3.043 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)N(CC(C)C)C(C)C)Cc1ccc(CO)o1 ZINC000352803935 456324110 /nfs/dbraw/zinc/32/41/10/456324110.db2.gz OXIWCMYSVCCIKA-UHFFFAOYSA-N 1 2 336.476 3.043 20 30 EGEDLO Cc1cc(F)cc2c1C[N@@H+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000337452270 456353928 /nfs/dbraw/zinc/35/39/28/456353928.db2.gz LFHWVIIHXKAQEF-HXUWFJFHSA-N 1 2 349.409 3.169 20 30 EGEDLO Cc1cc(F)cc2c1C[N@H+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000337452270 456353934 /nfs/dbraw/zinc/35/39/34/456353934.db2.gz LFHWVIIHXKAQEF-HXUWFJFHSA-N 1 2 349.409 3.169 20 30 EGEDLO C#Cc1cccc(NC(=O)CN(C)c2cc[nH+]c3c(OC)cccc23)c1 ZINC000302633924 456367314 /nfs/dbraw/zinc/36/73/14/456367314.db2.gz HCAUWRYVHHVYCG-UHFFFAOYSA-N 1 2 345.402 3.300 20 30 EGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000298409777 456450258 /nfs/dbraw/zinc/45/02/58/456450258.db2.gz NTMOJCRGANEVMS-CRAIPNDOSA-N 1 2 339.439 3.048 20 30 EGEDLO C=CCCOCCCCC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000337655907 456462283 /nfs/dbraw/zinc/46/22/83/456462283.db2.gz NNOFMXJWPXOINE-GOSISDBHSA-N 1 2 334.435 3.062 20 30 EGEDLO N#Cc1cccc(COc2ccc(NC(=O)CCc3[nH]cc[nH+]3)cc2)c1 ZINC000353151191 456524284 /nfs/dbraw/zinc/52/42/84/456524284.db2.gz KLXLTUSBGXTGNR-UHFFFAOYSA-N 1 2 346.390 3.432 20 30 EGEDLO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2C(F)F)sc2c1CCC2 ZINC000353196971 456551488 /nfs/dbraw/zinc/55/14/88/456551488.db2.gz DYYLAESYDBFTLO-LBPRGKRZSA-N 1 2 339.411 3.167 20 30 EGEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2C(F)F)sc2c1CCC2 ZINC000353196971 456551494 /nfs/dbraw/zinc/55/14/94/456551494.db2.gz DYYLAESYDBFTLO-LBPRGKRZSA-N 1 2 339.411 3.167 20 30 EGEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2C(F)F)cc1Cl ZINC000353201133 456556412 /nfs/dbraw/zinc/55/64/12/456556412.db2.gz LGCKFKQSWHUXMF-CYBMUJFWSA-N 1 2 327.762 3.270 20 30 EGEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2C(F)F)cc1Cl ZINC000353201133 456556414 /nfs/dbraw/zinc/55/64/14/456556414.db2.gz LGCKFKQSWHUXMF-CYBMUJFWSA-N 1 2 327.762 3.270 20 30 EGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1csc(C)n1 ZINC000343533661 456689177 /nfs/dbraw/zinc/68/91/77/456689177.db2.gz DTCFOAKVQOYGNN-KRWDZBQOSA-N 1 2 332.469 3.052 20 30 EGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1csc(C)n1 ZINC000343533661 456689185 /nfs/dbraw/zinc/68/91/85/456689185.db2.gz DTCFOAKVQOYGNN-KRWDZBQOSA-N 1 2 332.469 3.052 20 30 EGEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000353472563 456701344 /nfs/dbraw/zinc/70/13/44/456701344.db2.gz OSVHRSLUFSXMKH-RDTXWAMCSA-N 1 2 333.863 3.485 20 30 EGEDLO Cc1nn(C(C)C)cc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000343552917 456701929 /nfs/dbraw/zinc/70/19/29/456701929.db2.gz OUJARVWOENXFQW-UHFFFAOYSA-N 1 2 341.434 3.105 20 30 EGEDLO CC1(C)CN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC2(CCCC2)O1 ZINC000328613079 456718325 /nfs/dbraw/zinc/71/83/25/456718325.db2.gz PZZSLQCNWZGOOE-UHFFFAOYSA-N 1 2 346.475 3.057 20 30 EGEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)CC2=CCCCC2)cn1 ZINC000328650271 456727357 /nfs/dbraw/zinc/72/73/57/456727357.db2.gz VMSLNLNBLPGWOQ-IRXDYDNUSA-N 1 2 334.439 3.180 20 30 EGEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)CC2=CCCCC2)cn1 ZINC000328650271 456727364 /nfs/dbraw/zinc/72/73/64/456727364.db2.gz VMSLNLNBLPGWOQ-IRXDYDNUSA-N 1 2 334.439 3.180 20 30 EGEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)s1 ZINC000338257359 456736202 /nfs/dbraw/zinc/73/62/02/456736202.db2.gz LOQPCGCIYXSPJO-CQSZACIVSA-N 1 2 331.828 3.060 20 30 EGEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)s1 ZINC000338257358 456736413 /nfs/dbraw/zinc/73/64/13/456736413.db2.gz LOQPCGCIYXSPJO-AWEZNQCLSA-N 1 2 331.828 3.060 20 30 EGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2CCNC(=O)C2)C[C@@H](C)O1 ZINC000328695605 456740189 /nfs/dbraw/zinc/74/01/89/456740189.db2.gz TWMCBXQLOXFFFQ-RBSFLKMASA-N 1 2 345.443 3.250 20 30 EGEDLO C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@@H+]1CCOC[C@H](C)C1 ZINC000328701623 456740945 /nfs/dbraw/zinc/74/09/45/456740945.db2.gz WVCSBYBUSMQMQG-MNOVXSKESA-N 1 2 337.420 3.380 20 30 EGEDLO C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+]1CCOC[C@H](C)C1 ZINC000328701623 456740949 /nfs/dbraw/zinc/74/09/49/456740949.db2.gz WVCSBYBUSMQMQG-MNOVXSKESA-N 1 2 337.420 3.380 20 30 EGEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000328901553 456787727 /nfs/dbraw/zinc/78/77/27/456787727.db2.gz ZFNAJGGCNCXPHK-OAGGEKHMSA-N 1 2 334.464 3.098 20 30 EGEDLO Cc1noc(C(C)(C)[NH2+]CC(=O)N[C@H]2CCCc3ccccc32)n1 ZINC000328911514 456789362 /nfs/dbraw/zinc/78/93/62/456789362.db2.gz OGIOBWPWTWUMMI-HNNXBMFYSA-N 1 2 328.416 3.237 20 30 EGEDLO CC(C)c1cccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000353595423 456791437 /nfs/dbraw/zinc/79/14/37/456791437.db2.gz YUZIRSSAOZYUFX-UHFFFAOYSA-N 1 2 348.450 3.035 20 30 EGEDLO O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328963558 456801135 /nfs/dbraw/zinc/80/11/35/456801135.db2.gz RHAUKBWUJJWNNB-DZGCQCFKSA-N 1 2 344.846 3.334 20 30 EGEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)CC2CCCC2)CCC(=O)N1C1CC1 ZINC000329021083 456815800 /nfs/dbraw/zinc/81/58/00/456815800.db2.gz MATYAFHBYIZWTF-DNVCBOLYSA-N 1 2 344.459 3.151 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329064778 456825887 /nfs/dbraw/zinc/82/58/87/456825887.db2.gz KQYHIJYHCMHSHA-QLCXLMDBSA-N 1 2 338.492 3.038 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329064778 456825894 /nfs/dbraw/zinc/82/58/94/456825894.db2.gz KQYHIJYHCMHSHA-QLCXLMDBSA-N 1 2 338.492 3.038 20 30 EGEDLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000329094854 456833388 /nfs/dbraw/zinc/83/33/88/456833388.db2.gz XSINAIHSSLFUJJ-KXBFYZLASA-N 1 2 332.444 3.107 20 30 EGEDLO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000329094854 456833394 /nfs/dbraw/zinc/83/33/94/456833394.db2.gz XSINAIHSSLFUJJ-KXBFYZLASA-N 1 2 332.444 3.107 20 30 EGEDLO C[C@H]1CCSCC[N@@H+]1CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000329169403 456847438 /nfs/dbraw/zinc/84/74/38/456847438.db2.gz JDHHVJAVMRYWDO-JTQLQIEISA-N 1 2 328.507 3.251 20 30 EGEDLO CCc1[nH+]c2cc(CNC(=O)NCC(C)(C)C#N)ccc2n1C1CC1 ZINC000338660072 456849619 /nfs/dbraw/zinc/84/96/19/456849619.db2.gz VUBJHQQSCZWZPO-UHFFFAOYSA-N 1 2 339.443 3.283 20 30 EGEDLO C[C@H](C1CC1)n1cc(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)cn1 ZINC000329323509 456872557 /nfs/dbraw/zinc/87/25/57/456872557.db2.gz FVRRIYOUWIYZBS-CXAGYDPISA-N 1 2 332.448 3.086 20 30 EGEDLO C[C@H](C1CC1)n1cc(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)cn1 ZINC000329323509 456872561 /nfs/dbraw/zinc/87/25/61/456872561.db2.gz FVRRIYOUWIYZBS-CXAGYDPISA-N 1 2 332.448 3.086 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)C[C@@H]1CCCC(=O)N1)C2 ZINC000329323289 456872657 /nfs/dbraw/zinc/87/26/57/456872657.db2.gz HLFYTEBLGVUTAB-STQMWFEESA-N 1 2 332.448 3.351 20 30 EGEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCn2cc[nH+]c2C1 ZINC000329363630 456879223 /nfs/dbraw/zinc/87/92/23/456879223.db2.gz ZOIVUULIKPUPMQ-PGBRGIIUSA-N 1 2 328.460 3.013 20 30 EGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NCC1C[C@@H](C)O[C@H](C)C1)C2 ZINC000329805269 456943401 /nfs/dbraw/zinc/94/34/01/456943401.db2.gz MVEMRWCFWKXWQI-ZIAGYGMSSA-N 1 2 348.491 3.019 20 30 EGEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)CCS1 ZINC000329812040 456944438 /nfs/dbraw/zinc/94/44/38/456944438.db2.gz MZSAMEKIOULWDI-CQSZACIVSA-N 1 2 336.457 3.263 20 30 EGEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)CCS1 ZINC000329812040 456944442 /nfs/dbraw/zinc/94/44/42/456944442.db2.gz MZSAMEKIOULWDI-CQSZACIVSA-N 1 2 336.457 3.263 20 30 EGEDLO Cc1cccc2c1OCC[C@H]2NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329925481 456961543 /nfs/dbraw/zinc/96/15/43/456961543.db2.gz JWLVOBPOVPJBMC-MRXNPFEDSA-N 1 2 340.427 3.055 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000349428003 456967714 /nfs/dbraw/zinc/96/77/14/456967714.db2.gz JUXBSYKKJOLTCS-ZIAGYGMSSA-N 1 2 340.452 3.336 20 30 EGEDLO O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C1CCC(O)CC1 ZINC000329978980 456970052 /nfs/dbraw/zinc/97/00/52/456970052.db2.gz IQUNJOHDLBGAJU-GQKFXUNGSA-N 1 2 340.464 3.168 20 30 EGEDLO O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C1CCC(O)CC1 ZINC000329978980 456970056 /nfs/dbraw/zinc/97/00/56/456970056.db2.gz IQUNJOHDLBGAJU-GQKFXUNGSA-N 1 2 340.464 3.168 20 30 EGEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)N[C@@H]2CCCc3ccc(F)cc32)C1 ZINC000329996607 456971510 /nfs/dbraw/zinc/97/15/10/456971510.db2.gz PEOWNPQRPXOCIQ-WMLDXEAASA-N 1 2 342.418 3.340 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330097489 456984987 /nfs/dbraw/zinc/98/49/87/456984987.db2.gz AUDDCFIWUXVTSP-GLJUWKHASA-N 1 2 336.407 3.072 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330097489 456984990 /nfs/dbraw/zinc/98/49/90/456984990.db2.gz AUDDCFIWUXVTSP-GLJUWKHASA-N 1 2 336.407 3.072 20 30 EGEDLO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000330144470 456991912 /nfs/dbraw/zinc/99/19/12/456991912.db2.gz ZPSWVXVGWGOPGQ-BXWFABGCSA-N 1 2 332.444 3.241 20 30 EGEDLO Cc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000330144470 456991916 /nfs/dbraw/zinc/99/19/16/456991916.db2.gz ZPSWVXVGWGOPGQ-BXWFABGCSA-N 1 2 332.444 3.241 20 30 EGEDLO C[C@@H]1C[N@@H+]([C@H](C(=O)NC2CC2)c2ccccc2)C[C@@]2(CCCOC2)O1 ZINC000330144733 456992309 /nfs/dbraw/zinc/99/23/09/456992309.db2.gz ZSLWOYBDYIKMSP-MOXGXCLJSA-N 1 2 344.455 3.117 20 30 EGEDLO C[C@@H]1C[N@H+]([C@H](C(=O)NC2CC2)c2ccccc2)C[C@@]2(CCCOC2)O1 ZINC000330144733 456992312 /nfs/dbraw/zinc/99/23/12/456992312.db2.gz ZSLWOYBDYIKMSP-MOXGXCLJSA-N 1 2 344.455 3.117 20 30 EGEDLO C[C@H](C1CC1)n1cc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cn1 ZINC000330254799 457013308 /nfs/dbraw/zinc/01/33/08/457013308.db2.gz PIUVYHXRGDXNEG-GFCCVEGCSA-N 1 2 328.420 3.002 20 30 EGEDLO C[C@H](C1CC1)n1cc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cn1 ZINC000330254799 457013311 /nfs/dbraw/zinc/01/33/11/457013311.db2.gz PIUVYHXRGDXNEG-GFCCVEGCSA-N 1 2 328.420 3.002 20 30 EGEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CC2(CCC2)c2c1cccc2F ZINC000330274548 457018656 /nfs/dbraw/zinc/01/86/56/457018656.db2.gz KHHBWNNPOWKDOF-ZDUSSCGKSA-N 1 2 340.402 3.193 20 30 EGEDLO CCc1ccc(NC(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cc1F ZINC000330282188 457021012 /nfs/dbraw/zinc/02/10/12/457021012.db2.gz ALFHDIDKDTZCKV-WMLDXEAASA-N 1 2 346.406 3.177 20 30 EGEDLO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330326326 457027885 /nfs/dbraw/zinc/02/78/85/457027885.db2.gz JZTBOKIZWYKFRX-PNBKFKSVSA-N 1 2 348.491 3.359 20 30 EGEDLO CCN1CCN(C(=O)Nc2ccc(C)cc2Cl)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330348147 457032473 /nfs/dbraw/zinc/03/24/73/457032473.db2.gz IKYINPQLRQQLLP-OAHLLOKOSA-N 1 2 347.850 3.296 20 30 EGEDLO CC1(C)CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)[C@H]1c1ccncc1 ZINC000330348176 457032749 /nfs/dbraw/zinc/03/27/49/457032749.db2.gz ILZUWXLOLFNBGN-HOTGVXAUSA-N 1 2 339.443 3.153 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2ncc(-c3ccc(OC)cc3)o2)CC1 ZINC000341986722 457042672 /nfs/dbraw/zinc/04/26/72/457042672.db2.gz FKIMFZXIMXLYHO-UHFFFAOYSA-N 1 2 341.411 3.102 20 30 EGEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc([N+](=O)[O-])cc1F ZINC000342011948 457059077 /nfs/dbraw/zinc/05/90/77/457059077.db2.gz CESFLEMALHSLLM-UHFFFAOYSA-N 1 2 330.319 3.424 20 30 EGEDLO C=CCOCCCSC[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000342025898 457066415 /nfs/dbraw/zinc/06/64/15/457066415.db2.gz QSOOWANCXHOGQI-INIZCTEOSA-N 1 2 334.485 3.340 20 30 EGEDLO C=CCOc1ccc(-c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)cc1 ZINC000349838612 457072573 /nfs/dbraw/zinc/07/25/73/457072573.db2.gz JVDZFKFGJAIJRX-MRXNPFEDSA-N 1 2 329.400 3.083 20 30 EGEDLO C=CCOc1ccc(-c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)cc1 ZINC000349838612 457072576 /nfs/dbraw/zinc/07/25/76/457072576.db2.gz JVDZFKFGJAIJRX-MRXNPFEDSA-N 1 2 329.400 3.083 20 30 EGEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000362788605 457093997 /nfs/dbraw/zinc/09/39/97/457093997.db2.gz QZXQNUBWUZPURN-GFCCVEGCSA-N 1 2 335.860 3.375 20 30 EGEDLO CC(C)C(CNC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)C(C)C ZINC000331303933 457163406 /nfs/dbraw/zinc/16/34/06/457163406.db2.gz DANUTOSRFCQICS-RHSMWYFYSA-N 1 2 336.480 3.072 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000354266172 457163702 /nfs/dbraw/zinc/16/37/02/457163702.db2.gz NGKIQKZYZNFYNY-OAHLLOKOSA-N 1 2 341.455 3.325 20 30 EGEDLO N#Cc1ccc(-n2ccc(NCc3cccc4[nH+]ccn43)n2)c(Cl)c1 ZINC000359948183 457164821 /nfs/dbraw/zinc/16/48/21/457164821.db2.gz YMZNWAYEDXVRCR-UHFFFAOYSA-N 1 2 348.797 3.079 20 30 EGEDLO C=CCOc1ccc(Cc2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)cc1 ZINC000351060346 457216687 /nfs/dbraw/zinc/21/66/87/457216687.db2.gz XATVWWRMTUDQFO-KRWDZBQOSA-N 1 2 343.427 3.007 20 30 EGEDLO C=CCOc1ccc(Cc2nc([C@@H]3C[N@@H+](C(C)C)CCO3)no2)cc1 ZINC000351060346 457216691 /nfs/dbraw/zinc/21/66/91/457216691.db2.gz XATVWWRMTUDQFO-KRWDZBQOSA-N 1 2 343.427 3.007 20 30 EGEDLO C=CCCS(=O)(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC000351219046 457241248 /nfs/dbraw/zinc/24/12/48/457241248.db2.gz ASTMUSCVZVFXKY-INIZCTEOSA-N 1 2 344.908 3.218 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000360129090 457267333 /nfs/dbraw/zinc/26/73/33/457267333.db2.gz CABDWMKJTNDKGV-KBPBESRZSA-N 1 2 332.753 3.489 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000360129090 457267339 /nfs/dbraw/zinc/26/73/39/457267339.db2.gz CABDWMKJTNDKGV-KBPBESRZSA-N 1 2 332.753 3.489 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000351520273 457301872 /nfs/dbraw/zinc/30/18/72/457301872.db2.gz WVKRVODUIXXAMW-OAQYLSRUSA-N 1 2 340.467 3.157 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000351520273 457301875 /nfs/dbraw/zinc/30/18/75/457301875.db2.gz WVKRVODUIXXAMW-OAQYLSRUSA-N 1 2 340.467 3.157 20 30 EGEDLO Cc1ccn2cc(CNC(=O)c3ccc(C(C)(C)C#N)cc3)[nH+]c2c1 ZINC000355040059 457338419 /nfs/dbraw/zinc/33/84/19/457338419.db2.gz MZCZMZIGTDRSCV-UHFFFAOYSA-N 1 2 332.407 3.374 20 30 EGEDLO Cc1nsc(N2CC[NH+]([C@H](C)c3ccc(F)c(F)c3)CC2)c1C#N ZINC000352167624 457344208 /nfs/dbraw/zinc/34/42/08/457344208.db2.gz MWZKUSXSPRVMDM-GFCCVEGCSA-N 1 2 348.422 3.485 20 30 EGEDLO C=CCc1cc(C(=O)Nc2ccn3cc[nH+]c3c2)cc(OC)c1OC ZINC000355315197 457355730 /nfs/dbraw/zinc/35/57/30/457355730.db2.gz OXJGNPPNZQLXNJ-UHFFFAOYSA-N 1 2 337.379 3.332 20 30 EGEDLO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352457749 457383900 /nfs/dbraw/zinc/38/39/00/457383900.db2.gz FIGAZKJZXLKEQT-INIZCTEOSA-N 1 2 343.446 3.141 20 30 EGEDLO Cc1nsc(N2CC[NH+]([C@@H](C)c3ccccc3F)CC2)c1C#N ZINC000360917641 457430910 /nfs/dbraw/zinc/43/09/10/457430910.db2.gz ADXMWXQCGLKXEQ-ZDUSSCGKSA-N 1 2 330.432 3.346 20 30 EGEDLO C=CCCC1(C(=O)NC[C@H]2C[C@@H](F)C[N@H+]2Cc2c(C)noc2C)CC1 ZINC000356084581 457446961 /nfs/dbraw/zinc/44/69/61/457446961.db2.gz DNGFGZBRGNHEKO-HZPDHXFCSA-N 1 2 349.450 3.066 20 30 EGEDLO C=CCCC1(C(=O)NC[C@H]2C[C@@H](F)C[N@@H+]2Cc2c(C)noc2C)CC1 ZINC000356084581 457446966 /nfs/dbraw/zinc/44/69/66/457446966.db2.gz DNGFGZBRGNHEKO-HZPDHXFCSA-N 1 2 349.450 3.066 20 30 EGEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCO[C@@H](c3ccc(Cl)s3)C2)cc1 ZINC000364437504 457603092 /nfs/dbraw/zinc/60/30/92/457603092.db2.gz LOMGLMZUSIXDPH-HUUCEWRRSA-N 1 2 348.855 3.380 20 30 EGEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCO[C@@H](c3ccc(Cl)s3)C2)cc1 ZINC000364437504 457603099 /nfs/dbraw/zinc/60/30/99/457603099.db2.gz LOMGLMZUSIXDPH-HUUCEWRRSA-N 1 2 348.855 3.380 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000364570114 457644876 /nfs/dbraw/zinc/64/48/76/457644876.db2.gz GPWWXYMQYWKZMM-AWEZNQCLSA-N 1 2 329.400 3.187 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000364570114 457644879 /nfs/dbraw/zinc/64/48/79/457644879.db2.gz GPWWXYMQYWKZMM-AWEZNQCLSA-N 1 2 329.400 3.187 20 30 EGEDLO N#Cc1ccc2ncc(C[NH2+][C@H]3CCOc4c(F)ccc(F)c43)n2c1 ZINC000361237879 457661619 /nfs/dbraw/zinc/66/16/19/457661619.db2.gz QUVCKBKNLKUPCN-HNNXBMFYSA-N 1 2 340.333 3.098 20 30 EGEDLO N#Cc1nc(NCc2cc[nH+]c(N3CCCC3)c2)ccc1C(F)(F)F ZINC000443442062 457764957 /nfs/dbraw/zinc/76/49/57/457764957.db2.gz WEVUSQJKZFXDBI-UHFFFAOYSA-N 1 2 347.344 3.001 20 30 EGEDLO C=C[C@H]1CCCCN1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000426078351 457770973 /nfs/dbraw/zinc/77/09/73/457770973.db2.gz RDQGSDUHUDCIIC-SFHVURJKSA-N 1 2 338.455 3.376 20 30 EGEDLO Cn1cc(C[NH+]2CC(OCc3cccc4ccccc43)C2)cc1C#N ZINC000361554615 457793796 /nfs/dbraw/zinc/79/37/96/457793796.db2.gz UPKDTEYUJGLBTH-UHFFFAOYSA-N 1 2 331.419 3.451 20 30 EGEDLO C=C(C)COc1cccc(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000366824734 457903298 /nfs/dbraw/zinc/90/32/98/457903298.db2.gz GINDGFYEIGWFFR-OAHLLOKOSA-N 1 2 340.427 3.396 20 30 EGEDLO COc1ccc(F)c(N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)c1 ZINC000361928371 457960585 /nfs/dbraw/zinc/96/05/85/457960585.db2.gz TYZGUESPVSNVLE-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO COc1ccc([C@@H](Nc2nccc(C)c2C#N)c2[nH+]ccn2C)cc1 ZINC000368342662 458026409 /nfs/dbraw/zinc/02/64/09/458026409.db2.gz WQVOPDARRNSNPF-QGZVFWFLSA-N 1 2 333.395 3.205 20 30 EGEDLO COC(=O)[C@H]([NH2+]C1CCC2(CCOCC2)CC1)c1cccc(C#N)c1 ZINC000371902045 458113712 /nfs/dbraw/zinc/11/37/12/458113712.db2.gz JYFTWZFLVPYBCE-GOSISDBHSA-N 1 2 342.439 3.101 20 30 EGEDLO CC(C)N(C(=O)C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1)C(C)C ZINC000362436427 458174595 /nfs/dbraw/zinc/17/45/95/458174595.db2.gz GERTVEWIAFGXTI-RTBURBONSA-N 1 2 327.472 3.404 20 30 EGEDLO CC(C)N(C(=O)C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1)C(C)C ZINC000362436427 458174600 /nfs/dbraw/zinc/17/46/00/458174600.db2.gz GERTVEWIAFGXTI-RTBURBONSA-N 1 2 327.472 3.404 20 30 EGEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000428872625 458226555 /nfs/dbraw/zinc/22/65/55/458226555.db2.gz ONNLTXLTQKDQHH-SFHVURJKSA-N 1 2 330.472 3.434 20 30 EGEDLO C=CC[N@H+](CCC#N)C[C@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000428872625 458226559 /nfs/dbraw/zinc/22/65/59/458226559.db2.gz ONNLTXLTQKDQHH-SFHVURJKSA-N 1 2 330.472 3.434 20 30 EGEDLO CC(C)(C#N)CCCC[S@](=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000436109765 458253475 /nfs/dbraw/zinc/25/34/75/458253475.db2.gz QYDCTOWZAVOKFK-QFIPXVFZSA-N 1 2 335.395 3.414 20 30 EGEDLO CC(C)(CC#N)CNC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000459226354 458295673 /nfs/dbraw/zinc/29/56/73/458295673.db2.gz DTHHCHFKEMBDDH-UHFFFAOYSA-N 1 2 348.878 3.107 20 30 EGEDLO C[N@H+](CCC#N)C[C@H](O)COc1cc(Cl)c(Cl)cc1Cl ZINC000414135793 458315175 /nfs/dbraw/zinc/31/51/75/458315175.db2.gz FGLQLYIDBMZRMC-VIFPVBQESA-N 1 2 337.634 3.232 20 30 EGEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cc(Cl)c(Cl)cc1Cl ZINC000414135793 458315182 /nfs/dbraw/zinc/31/51/82/458315182.db2.gz FGLQLYIDBMZRMC-VIFPVBQESA-N 1 2 337.634 3.232 20 30 EGEDLO C[C@@H]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@@H]1C ZINC000448580452 458402642 /nfs/dbraw/zinc/40/26/42/458402642.db2.gz YOMWPCHNVOCDDM-FUHIMQAGSA-N 1 2 339.483 3.275 20 30 EGEDLO C[C@@H]1C[C@]1(C#N)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000448688937 458404811 /nfs/dbraw/zinc/40/48/11/458404811.db2.gz FPERBINBZJBMJS-CDHAZOANSA-N 1 2 349.837 3.282 20 30 EGEDLO C[C@@H]1C[C@@]1(C#N)C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000448953978 458417568 /nfs/dbraw/zinc/41/75/68/458417568.db2.gz JPPRJMYKOKGNPJ-ACJLOTCBSA-N 1 2 340.452 3.263 20 30 EGEDLO C[C@@H]1C[C@@]1(C#N)C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000448953978 458417571 /nfs/dbraw/zinc/41/75/71/458417571.db2.gz JPPRJMYKOKGNPJ-ACJLOTCBSA-N 1 2 340.452 3.263 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)CCCC1 ZINC000449866054 458433408 /nfs/dbraw/zinc/43/34/08/458433408.db2.gz CXRKPZWCVNOEPW-KRWDZBQOSA-N 1 2 327.472 3.423 20 30 EGEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(O)(Cc2ccccc2F)CC1 ZINC000373291886 458454395 /nfs/dbraw/zinc/45/43/95/458454395.db2.gz MPCHKHYKVCHUDY-UHFFFAOYSA-N 1 2 342.389 3.406 20 30 EGEDLO CC(C)([NH2+]CC#Cc1ccc(Cl)cc1)c1nnc2n1CCCC2 ZINC000451402769 458476327 /nfs/dbraw/zinc/47/63/27/458476327.db2.gz KHKYGZOGJAXGHW-UHFFFAOYSA-N 1 2 328.847 3.144 20 30 EGEDLO C=C(C)COc1cc(C[N@@H+]2CCNC(=O)[C@@]2(C)CCC)ccc1OC ZINC000438479189 458584566 /nfs/dbraw/zinc/58/45/66/458584566.db2.gz YPDMTTPRJMLFIJ-HXUWFJFHSA-N 1 2 346.471 3.141 20 30 EGEDLO C=C(C)COc1cc(C[N@H+]2CCNC(=O)[C@@]2(C)CCC)ccc1OC ZINC000438479189 458584571 /nfs/dbraw/zinc/58/45/71/458584571.db2.gz YPDMTTPRJMLFIJ-HXUWFJFHSA-N 1 2 346.471 3.141 20 30 EGEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000455907533 458620331 /nfs/dbraw/zinc/62/03/31/458620331.db2.gz SUYWYHXHNUPURT-UHFFFAOYSA-N 1 2 336.439 3.256 20 30 EGEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000455907533 458620335 /nfs/dbraw/zinc/62/03/35/458620335.db2.gz SUYWYHXHNUPURT-UHFFFAOYSA-N 1 2 336.439 3.256 20 30 EGEDLO C[C@@](O)(C1CC[NH+](Cc2cc(C#N)ccc2F)CC1)C(F)(F)F ZINC000546638972 458650066 /nfs/dbraw/zinc/65/00/66/458650066.db2.gz CMESBHVWOJOIQT-OAHLLOKOSA-N 1 2 330.325 3.223 20 30 EGEDLO C=CCn1c(SCc2c[nH+]cn2C)nnc1-c1cccc(C)c1 ZINC000439541578 458722621 /nfs/dbraw/zinc/72/26/21/458722621.db2.gz LJYMELJIPYWEMG-UHFFFAOYSA-N 1 2 325.441 3.465 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000505790831 458747415 /nfs/dbraw/zinc/74/74/15/458747415.db2.gz PNEGJHURDNQMQG-MRXNPFEDSA-N 1 2 338.798 3.379 20 30 EGEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1 ZINC000464827323 458780111 /nfs/dbraw/zinc/78/01/11/458780111.db2.gz HLAJMORVEKDPIT-HNJRGHQBSA-N 1 2 339.483 3.263 20 30 EGEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1 ZINC000464827323 458780115 /nfs/dbraw/zinc/78/01/15/458780115.db2.gz HLAJMORVEKDPIT-HNJRGHQBSA-N 1 2 339.483 3.263 20 30 EGEDLO C=C(C)[C@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccc(F)c(F)c1 ZINC000547952634 458815067 /nfs/dbraw/zinc/81/50/67/458815067.db2.gz APBZCHZVBXFKBL-GUYCJALGSA-N 1 2 346.381 3.093 20 30 EGEDLO C=CCn1c(CC)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000554646460 458901515 /nfs/dbraw/zinc/90/15/15/458901515.db2.gz FXHYBLVMEXPHML-UHFFFAOYSA-N 1 2 345.878 3.002 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[N@H+](CCC#N)Cc2ccco2)C1 ZINC000495959469 459019200 /nfs/dbraw/zinc/01/92/00/459019200.db2.gz BNIQTQYHKOKGMJ-DNVCBOLYSA-N 1 2 345.443 3.252 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[N@@H+](CCC#N)Cc2ccco2)C1 ZINC000495959469 459019204 /nfs/dbraw/zinc/01/92/04/459019204.db2.gz BNIQTQYHKOKGMJ-DNVCBOLYSA-N 1 2 345.443 3.252 20 30 EGEDLO Cc1cc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c(C#N)c[nH+]1 ZINC000496115252 459072274 /nfs/dbraw/zinc/07/22/74/459072274.db2.gz ORNZRWFOXADWST-DOMZBBRYSA-N 1 2 330.432 3.001 20 30 EGEDLO Cc1ccc(-c2ncc(C[NH+]3CCN(CC#N)CC3)s2)cc1C ZINC000594601123 459105604 /nfs/dbraw/zinc/10/56/04/459105604.db2.gz ILINMTXURHICAF-UHFFFAOYSA-N 1 2 326.469 3.068 20 30 EGEDLO CCOC(=O)c1c(C)n[nH]c1C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000590604416 459159173 /nfs/dbraw/zinc/15/91/73/459159173.db2.gz HDPOQKXAQGUMLL-CQSZACIVSA-N 1 2 340.427 3.350 20 30 EGEDLO CCOC(=O)c1c(C)n[nH]c1C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000590604416 459159176 /nfs/dbraw/zinc/15/91/76/459159176.db2.gz HDPOQKXAQGUMLL-CQSZACIVSA-N 1 2 340.427 3.350 20 30 EGEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(-c2cccc(F)c2)c(F)c1 ZINC000578233008 459167673 /nfs/dbraw/zinc/16/76/73/459167673.db2.gz XFPFWAXHASGXLV-KRWDZBQOSA-N 1 2 345.393 3.250 20 30 EGEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(-c2cccc(F)c2)c(F)c1 ZINC000578233008 459167675 /nfs/dbraw/zinc/16/76/75/459167675.db2.gz XFPFWAXHASGXLV-KRWDZBQOSA-N 1 2 345.393 3.250 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC000567995219 459205543 /nfs/dbraw/zinc/20/55/43/459205543.db2.gz DZNSYELQWLFEHC-UNMCSNQZSA-N 1 2 349.478 3.363 20 30 EGEDLO COc1cc(N2CC[NH+](CC#Cc3ccc(F)cc3)CC2)ccc1F ZINC000558895428 459220187 /nfs/dbraw/zinc/22/01/87/459220187.db2.gz GXKYMWDORDSWQB-UHFFFAOYSA-N 1 2 342.389 3.147 20 30 EGEDLO CCCc1csc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000559305038 459250771 /nfs/dbraw/zinc/25/07/71/459250771.db2.gz HEVXSOVPWGHRLQ-OAHLLOKOSA-N 1 2 328.441 3.016 20 30 EGEDLO CCCc1csc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000559305038 459250777 /nfs/dbraw/zinc/25/07/77/459250777.db2.gz HEVXSOVPWGHRLQ-OAHLLOKOSA-N 1 2 328.441 3.016 20 30 EGEDLO CC#CC[N@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000559468028 459262126 /nfs/dbraw/zinc/26/21/26/459262126.db2.gz WQBCRDHEGKKPKT-UHFFFAOYSA-N 1 2 338.455 3.063 20 30 EGEDLO CC#CC[N@@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000559468028 459262128 /nfs/dbraw/zinc/26/21/28/459262128.db2.gz WQBCRDHEGKKPKT-UHFFFAOYSA-N 1 2 338.455 3.063 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000581259187 459271306 /nfs/dbraw/zinc/27/13/06/459271306.db2.gz BOYMOUVITXOHBU-CQSZACIVSA-N 1 2 332.835 3.177 20 30 EGEDLO C=CCCSCCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000595470567 459314097 /nfs/dbraw/zinc/31/40/97/459314097.db2.gz PIMQDMQNXPAKES-UHFFFAOYSA-N 1 2 348.447 3.120 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000568633190 459318908 /nfs/dbraw/zinc/31/89/08/459318908.db2.gz CRQWFSNYKWXAMB-IOASZLSFSA-N 1 2 340.254 3.057 20 30 EGEDLO CC(C)(C)OC(=O)NCC[C@H]([NH2+]Cc1ccc(C#N)cc1)C(F)F ZINC000496833609 459340079 /nfs/dbraw/zinc/34/00/79/459340079.db2.gz BYPJECINTQWXKQ-AWEZNQCLSA-N 1 2 339.386 3.196 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cnc(N2CCCC2)nc1 ZINC000536670727 459360991 /nfs/dbraw/zinc/36/09/91/459360991.db2.gz ZCOYEDLQYXXXDP-WOJBJXKFSA-N 1 2 347.466 3.349 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cnc(N2CCCC2)nc1 ZINC000536670727 459360996 /nfs/dbraw/zinc/36/09/96/459360996.db2.gz ZCOYEDLQYXXXDP-WOJBJXKFSA-N 1 2 347.466 3.349 20 30 EGEDLO CC(C)(C)c1ccc(OC[C@@H](O)C[N@H+](CC#N)C2CCCC2)cc1 ZINC000524596611 459373329 /nfs/dbraw/zinc/37/33/29/459373329.db2.gz LTXHHRSTUVOBAI-SFHVURJKSA-N 1 2 330.472 3.492 20 30 EGEDLO CC(C)(C)c1ccc(OC[C@@H](O)C[N@@H+](CC#N)C2CCCC2)cc1 ZINC000524596611 459373332 /nfs/dbraw/zinc/37/33/32/459373332.db2.gz LTXHHRSTUVOBAI-SFHVURJKSA-N 1 2 330.472 3.492 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000582535871 459382073 /nfs/dbraw/zinc/38/20/73/459382073.db2.gz YOZHTXVEAQFSIA-WBVHZDCISA-N 1 2 335.436 3.494 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1nc(N)c2ccccc2n1 ZINC000541174891 459432430 /nfs/dbraw/zinc/43/24/30/459432430.db2.gz RMTPNLGQXKYPGP-PKOBYXMFSA-N 1 2 343.434 3.314 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1nc(N)c2ccccc2n1 ZINC000541174891 459432433 /nfs/dbraw/zinc/43/24/33/459432433.db2.gz RMTPNLGQXKYPGP-PKOBYXMFSA-N 1 2 343.434 3.314 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000591851931 459455395 /nfs/dbraw/zinc/45/53/95/459455395.db2.gz QKBSXEYSFJCRIU-CALCHBBNSA-N 1 2 342.345 3.169 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000591851931 459455402 /nfs/dbraw/zinc/45/54/02/459455402.db2.gz QKBSXEYSFJCRIU-CALCHBBNSA-N 1 2 342.345 3.169 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000591853039 459455537 /nfs/dbraw/zinc/45/55/37/459455537.db2.gz LIOLWSGFGZFJPM-CXAGYDPISA-N 1 2 337.427 3.145 20 30 EGEDLO CC(C)[C@H]([NH2+]CCCOc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000541652221 459478593 /nfs/dbraw/zinc/47/85/93/459478593.db2.gz IONDPOYWBXNDRF-KRWDZBQOSA-N 1 2 332.444 3.283 20 30 EGEDLO Cc1ccc2ncc(C#N)c(NCc3cn4c(cccc4C)[nH+]3)c2c1 ZINC000488068876 459538052 /nfs/dbraw/zinc/53/80/52/459538052.db2.gz SNGJGFFIUJSZNI-UHFFFAOYSA-N 1 2 327.391 3.405 20 30 EGEDLO CCn1cc[nH+]c1CNc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000526051284 459538806 /nfs/dbraw/zinc/53/88/06/459538806.db2.gz RENOORRSKWYQGA-UHFFFAOYSA-N 1 2 337.427 3.098 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000488365566 459543583 /nfs/dbraw/zinc/54/35/83/459543583.db2.gz JOKINXGHCYAVJX-KRWDZBQOSA-N 1 2 338.386 3.066 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000488813232 459552100 /nfs/dbraw/zinc/55/21/00/459552100.db2.gz FISRWXKXHAVLSV-SJLPKXTDSA-N 1 2 345.393 3.128 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000488813232 459552104 /nfs/dbraw/zinc/55/21/04/459552104.db2.gz FISRWXKXHAVLSV-SJLPKXTDSA-N 1 2 345.393 3.128 20 30 EGEDLO COc1cccc2c1cc[nH+]c2N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000562695554 459624163 /nfs/dbraw/zinc/62/41/63/459624163.db2.gz NLBINNHYOGTNQZ-HNNXBMFYSA-N 1 2 346.390 3.168 20 30 EGEDLO COC(=O)Nc1ccc(CC[NH+]=Cc2cc(OC)ccc2O)cc1 ZINC000491519915 459633831 /nfs/dbraw/zinc/63/38/31/459633831.db2.gz VUMZTBHXNROBGO-XDHOZWIPSA-N 1 2 328.368 3.241 20 30 EGEDLO C#CC[N@@H+](Cc1cccc(S(C)(=O)=O)c1)[C@@H]1CCc2ccccc21 ZINC000491680897 459653339 /nfs/dbraw/zinc/65/33/39/459653339.db2.gz KIVZBIACTTXLHL-HXUWFJFHSA-N 1 2 339.460 3.213 20 30 EGEDLO C#CC[N@H+](Cc1cccc(S(C)(=O)=O)c1)[C@@H]1CCc2ccccc21 ZINC000491680897 459653345 /nfs/dbraw/zinc/65/33/45/459653345.db2.gz KIVZBIACTTXLHL-HXUWFJFHSA-N 1 2 339.460 3.213 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000491772418 459670215 /nfs/dbraw/zinc/67/02/15/459670215.db2.gz QPIADBSKLCMBSI-HNNXBMFYSA-N 1 2 331.847 3.379 20 30 EGEDLO C#CCn1ccc(C[N@H+](CCOC)[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000491772418 459670217 /nfs/dbraw/zinc/67/02/17/459670217.db2.gz QPIADBSKLCMBSI-HNNXBMFYSA-N 1 2 331.847 3.379 20 30 EGEDLO C=C(C)C(C)(C)c1nc(-c2ccccc2C[NH+]2CCOCC2)no1 ZINC000562969823 459683732 /nfs/dbraw/zinc/68/37/32/459683732.db2.gz KGHPBCBKEZYNOT-UHFFFAOYSA-N 1 2 327.428 3.423 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000596589694 459686483 /nfs/dbraw/zinc/68/64/83/459686483.db2.gz BTQRQRXYWWWLEJ-RDJZCZTQSA-N 1 2 340.471 3.196 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000596589694 459686485 /nfs/dbraw/zinc/68/64/85/459686485.db2.gz BTQRQRXYWWWLEJ-RDJZCZTQSA-N 1 2 340.471 3.196 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000596589871 459687763 /nfs/dbraw/zinc/68/77/63/459687763.db2.gz BVKLWRCLUNJLJN-RDTXWAMCSA-N 1 2 334.423 3.363 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000596589871 459687768 /nfs/dbraw/zinc/68/77/68/459687768.db2.gz BVKLWRCLUNJLJN-RDTXWAMCSA-N 1 2 334.423 3.363 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC(CCC#N)CC1 ZINC000584293879 459703050 /nfs/dbraw/zinc/70/30/50/459703050.db2.gz VODAMPIVGPIQIE-UHFFFAOYSA-N 1 2 346.381 3.165 20 30 EGEDLO Cc1ccc(C#N)cc1NC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000596706027 459735795 /nfs/dbraw/zinc/73/57/95/459735795.db2.gz BAKSJSUQDODTMU-UHFFFAOYSA-N 1 2 335.411 3.184 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC2(CC2(F)F)CC1 ZINC000593072469 459764020 /nfs/dbraw/zinc/76/40/20/459764020.db2.gz HMRFYVYPVXUVCA-UHFFFAOYSA-N 1 2 339.773 3.271 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000563366295 459764146 /nfs/dbraw/zinc/76/41/46/459764146.db2.gz PRQUTTAKEPWOET-ZYHUDNBSSA-N 1 2 328.243 3.452 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000563546843 459766469 /nfs/dbraw/zinc/76/64/69/459766469.db2.gz KMQQJLBLBNGXAQ-OLZOCXBDSA-N 1 2 328.441 3.479 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000563546843 459766471 /nfs/dbraw/zinc/76/64/71/459766471.db2.gz KMQQJLBLBNGXAQ-OLZOCXBDSA-N 1 2 328.441 3.479 20 30 EGEDLO C[C@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccccc1C(F)(F)F ZINC000565050598 459780570 /nfs/dbraw/zinc/78/05/70/459780570.db2.gz HBDOZEFJRBSPJS-MLGOLLRUSA-N 1 2 341.377 3.159 20 30 EGEDLO COCc1csc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC000596985144 459811711 /nfs/dbraw/zinc/81/17/11/459811711.db2.gz PLLOLSOTTQCWLW-IBGZPJMESA-N 1 2 341.480 3.277 20 30 EGEDLO COc1cccc(Oc2ncccc2C[NH2+]C[C@H](C#N)CCC#N)c1 ZINC000574446076 459819891 /nfs/dbraw/zinc/81/98/91/459819891.db2.gz ZWXXIECORAVFGA-HNNXBMFYSA-N 1 2 336.395 3.416 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](c3cccnc3)C2)c(C#N)c1C ZINC000566178415 459820346 /nfs/dbraw/zinc/82/03/46/459820346.db2.gz YIRQHNMTYPSGEL-HNNXBMFYSA-N 1 2 340.452 3.060 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](c3cccnc3)C2)c(C#N)c1C ZINC000566178415 459820347 /nfs/dbraw/zinc/82/03/47/459820347.db2.gz YIRQHNMTYPSGEL-HNNXBMFYSA-N 1 2 340.452 3.060 20 30 EGEDLO C[C@H](C#N)C[NH2+]Cc1cc(Cl)ccc1I ZINC000597082152 459832754 /nfs/dbraw/zinc/83/27/54/459832754.db2.gz GOLQYVGHGOGZSX-MRVPVSSYSA-N 1 2 334.588 3.194 20 30 EGEDLO Cc1cc2ccccc2[nH+]c1N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000574580398 459837535 /nfs/dbraw/zinc/83/75/35/459837535.db2.gz FRZUNFMKNMGQPY-KRWDZBQOSA-N 1 2 330.391 3.468 20 30 EGEDLO Cc1ccc(-c2csc(C[NH+]3CCN(CCC#N)CC3)n2)cc1 ZINC000586768126 459868049 /nfs/dbraw/zinc/86/80/49/459868049.db2.gz HPYNBXDDFQSSOE-UHFFFAOYSA-N 1 2 326.469 3.150 20 30 EGEDLO N#C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)c(Cl)c1 ZINC000597199374 459873983 /nfs/dbraw/zinc/87/39/83/459873983.db2.gz RRWBPIMVNINAON-ABAIWWIYSA-N 1 2 349.221 3.133 20 30 EGEDLO CC[C@@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000609160579 459915551 /nfs/dbraw/zinc/91/55/51/459915551.db2.gz YREAEQYNIOCRQK-IBGZPJMESA-N 1 2 327.472 3.275 20 30 EGEDLO C[C@H](CCC#N)C[N@H+](C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000602484101 459961729 /nfs/dbraw/zinc/96/17/29/459961729.db2.gz HKLUEGBXQGFRMJ-BXUZGUMPSA-N 1 2 326.849 3.040 20 30 EGEDLO C[C@H](CCC#N)C[N@@H+](C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000602484101 459961733 /nfs/dbraw/zinc/96/17/33/459961733.db2.gz HKLUEGBXQGFRMJ-BXUZGUMPSA-N 1 2 326.849 3.040 20 30 EGEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000598612118 459962250 /nfs/dbraw/zinc/96/22/50/459962250.db2.gz ZQDCXLDOKDDXCD-MRXNPFEDSA-N 1 2 331.847 3.411 20 30 EGEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000598612118 459962260 /nfs/dbraw/zinc/96/22/60/459962260.db2.gz ZQDCXLDOKDDXCD-MRXNPFEDSA-N 1 2 331.847 3.411 20 30 EGEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000594009003 460054047 /nfs/dbraw/zinc/05/40/47/460054047.db2.gz VQWIGICUCKZPQE-QWHCGFSZSA-N 1 2 344.484 3.498 20 30 EGEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000594035336 460066224 /nfs/dbraw/zinc/06/62/24/460066224.db2.gz GGBQWXLNUDRSDW-PBHICJAKSA-N 1 2 336.439 3.080 20 30 EGEDLO C=CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)(C)C ZINC000598873228 460078771 /nfs/dbraw/zinc/07/87/71/460078771.db2.gz WMTDNBMNPJGGQZ-UHFFFAOYSA-N 1 2 328.372 3.207 20 30 EGEDLO C[C@@H](NC(=O)NCc1ccc(N2CCCC2)[nH+]c1)c1cccc(C#N)c1 ZINC000610347796 460128671 /nfs/dbraw/zinc/12/86/71/460128671.db2.gz YBZNKNZHOXIDKL-OAHLLOKOSA-N 1 2 349.438 3.114 20 30 EGEDLO Cc1cccn2cc(CCNC(=O)Nc3ccc(F)c(C#N)c3)[nH+]c12 ZINC000610455827 460155264 /nfs/dbraw/zinc/15/52/64/460155264.db2.gz AOTNTVFRYJLWFN-UHFFFAOYSA-N 1 2 337.358 3.018 20 30 EGEDLO Cc1cccn2cc(CCNC(=O)N[C@@H](C)c3cccc(C#N)c3)[nH+]c12 ZINC000610462234 460157166 /nfs/dbraw/zinc/15/71/66/460157166.db2.gz ZIRCXZBDMWSMJF-HNNXBMFYSA-N 1 2 347.422 3.117 20 30 EGEDLO CCc1ccc([C@@H](NC(=O)C[NH2+][C@H](C)CC#N)c2cccs2)cc1 ZINC000602866959 460164922 /nfs/dbraw/zinc/16/49/22/460164922.db2.gz AREUNLYIFGAGMV-AUUYWEPGSA-N 1 2 341.480 3.408 20 30 EGEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000602865241 460165162 /nfs/dbraw/zinc/16/51/62/460165162.db2.gz VHUDGBQSFOWFRX-MXWKQRLJSA-N 1 2 328.243 3.451 20 30 EGEDLO C=CCN(CCc1ccccc1)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000576539626 460165119 /nfs/dbraw/zinc/16/51/19/460165119.db2.gz VWVCRJVIJDNVPG-SFHVURJKSA-N 1 2 338.455 3.312 20 30 EGEDLO Cc1ccc2[nH+]c(CNC(=O)[C@H](C)Cc3ccc(C#N)cc3)cn2c1 ZINC000594247866 460171813 /nfs/dbraw/zinc/17/18/13/460171813.db2.gz GHSDJIOGBFYHNH-OAHLLOKOSA-N 1 2 332.407 3.009 20 30 EGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]32)c1C#N ZINC000610585660 460190276 /nfs/dbraw/zinc/19/02/76/460190276.db2.gz ZNUCKOKBPPXZEQ-LPHOPBHVSA-N 1 2 348.450 3.389 20 30 EGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]32)c1C#N ZINC000610585660 460190283 /nfs/dbraw/zinc/19/02/83/460190283.db2.gz ZNUCKOKBPPXZEQ-LPHOPBHVSA-N 1 2 348.450 3.389 20 30 EGEDLO Cc1cccn2cc(CCNc3ccc4cc(C#N)ccc4n3)[nH+]c12 ZINC000611153195 460297500 /nfs/dbraw/zinc/29/75/00/460297500.db2.gz ZWPXNLYNUPGFOS-UHFFFAOYSA-N 1 2 327.391 3.139 20 30 EGEDLO N#Cc1ccc(CN2CCC[N@H+](Cc3[nH]nc4ccccc43)CC2)cc1 ZINC000611253347 460318459 /nfs/dbraw/zinc/31/84/59/460318459.db2.gz KXAIVODHDGOZIS-UHFFFAOYSA-N 1 2 345.450 3.142 20 30 EGEDLO N#Cc1ccc(CN2CCC[N@@H+](Cc3[nH]nc4ccccc43)CC2)cc1 ZINC000611253347 460318464 /nfs/dbraw/zinc/31/84/64/460318464.db2.gz KXAIVODHDGOZIS-UHFFFAOYSA-N 1 2 345.450 3.142 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000611466687 460371374 /nfs/dbraw/zinc/37/13/74/460371374.db2.gz RCPWOOSRCWAJQE-IBGZPJMESA-N 1 2 334.423 3.279 20 30 EGEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CC=CCC2)c1C#N ZINC000611517378 460384368 /nfs/dbraw/zinc/38/43/68/460384368.db2.gz WDAYNHKCFZDFIB-UHFFFAOYSA-N 1 2 348.450 3.225 20 30 EGEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC=CCC2)c1C#N ZINC000611517378 460384373 /nfs/dbraw/zinc/38/43/73/460384373.db2.gz WDAYNHKCFZDFIB-UHFFFAOYSA-N 1 2 348.450 3.225 20 30 EGEDLO N#C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1c(Cl)cccc1Cl ZINC000615756698 460386782 /nfs/dbraw/zinc/38/67/82/460386782.db2.gz WXKIRPQCXAYJPY-ZWNOBZJWSA-N 1 2 349.221 3.133 20 30 EGEDLO C=C[C@@H]([NH2+]CC1(c2ccc(OC)c(OC)c2)CCCCC1)C(=O)OC ZINC000619701688 460419720 /nfs/dbraw/zinc/41/97/20/460419720.db2.gz RLGWCYWZMVGFRC-MRXNPFEDSA-N 1 2 347.455 3.223 20 30 EGEDLO C=C(C)[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccc(F)c(F)c1 ZINC000613609826 461013975 /nfs/dbraw/zinc/01/39/75/461013975.db2.gz JVLKTZZACKEOMK-PBFPGSCMSA-N 1 2 331.366 3.235 20 30 EGEDLO C=CC(C)(C)CNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000653093316 461498135 /nfs/dbraw/zinc/49/81/35/461498135.db2.gz ICNPFSCIGSHNOM-MRXNPFEDSA-N 1 2 326.444 3.215 20 30 EGEDLO C=CC[C@H]1CCCN(C(=O)NCCn2c(C)[nH+]c3ccccc32)C1 ZINC000660245041 461662631 /nfs/dbraw/zinc/66/26/31/461662631.db2.gz LXWJGUVRYURMMP-INIZCTEOSA-N 1 2 326.444 3.342 20 30 EGEDLO C=CCCC(C)(C)NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000663516326 461682573 /nfs/dbraw/zinc/68/25/73/461682573.db2.gz QPZVCZYSACLZLH-SFHVURJKSA-N 1 2 345.487 3.104 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000660538450 461839155 /nfs/dbraw/zinc/83/91/55/461839155.db2.gz HDYWFYOJCCYNSG-IPMKNSEASA-N 1 2 344.503 3.289 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000660538450 461839159 /nfs/dbraw/zinc/83/91/59/461839159.db2.gz HDYWFYOJCCYNSG-IPMKNSEASA-N 1 2 344.503 3.289 20 30 EGEDLO COC[C@@H](C)n1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c1C ZINC000661150825 462125133 /nfs/dbraw/zinc/12/51/33/462125133.db2.gz SHFIEEDKMOHJDJ-NVXWUHKLSA-N 1 2 331.460 3.121 20 30 EGEDLO COC[C@@H](C)n1c(C)cc(C(=O)C[N@H+]2CCC[C@H](CC#N)C2)c1C ZINC000661150825 462125138 /nfs/dbraw/zinc/12/51/38/462125138.db2.gz SHFIEEDKMOHJDJ-NVXWUHKLSA-N 1 2 331.460 3.121 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@@H](C)COC ZINC000661239972 462165586 /nfs/dbraw/zinc/16/55/86/462165586.db2.gz JZZXCUQDXBCAID-NSHDSACASA-N 1 2 331.243 3.455 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@@H](C)COC ZINC000661239972 462165593 /nfs/dbraw/zinc/16/55/93/462165593.db2.gz JZZXCUQDXBCAID-NSHDSACASA-N 1 2 331.243 3.455 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@H](C)COC ZINC000661244445 462168883 /nfs/dbraw/zinc/16/88/83/462168883.db2.gz UOAJQDGHPFOFAS-LLVKDONJSA-N 1 2 331.243 3.455 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@H](C)COC ZINC000661244445 462168891 /nfs/dbraw/zinc/16/88/91/462168891.db2.gz UOAJQDGHPFOFAS-LLVKDONJSA-N 1 2 331.243 3.455 20 30 EGEDLO C=CC[C@H]1CCCN(C(=O)NCCc2cn3c(cccc3C)[nH+]2)C1 ZINC000661348796 462210050 /nfs/dbraw/zinc/21/00/50/462210050.db2.gz FNYUVEAQYWIQAK-INIZCTEOSA-N 1 2 326.444 3.183 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000645945976 462475968 /nfs/dbraw/zinc/47/59/68/462475968.db2.gz WCGPBPQMZZYVQW-OAHLLOKOSA-N 1 2 334.485 3.403 20 30 EGEDLO C#CCCCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000154460195 526704180 /nfs/dbraw/zinc/70/41/80/526704180.db2.gz ZEOZXWQNLWUITG-MOPGFXCFSA-N 1 2 336.439 3.214 20 30 EGEDLO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000333586898 547538342 /nfs/dbraw/zinc/53/83/42/547538342.db2.gz KSQOTVFZDGFTGT-ZLKJLUDKSA-N 1 2 338.238 3.381 20 30 EGEDLO O=C(Nc1cccc(C#Cc2ccccc2)c1)[C@H]1CCc2[nH+]ccn2C1 ZINC000682449735 550100959 /nfs/dbraw/zinc/10/09/59/550100959.db2.gz OBIPRQKEAATPAT-IBGZPJMESA-N 1 2 341.414 3.484 20 30 EGEDLO C#Cc1cccc(NC(=S)N[C@H](c2[nH+]ccn2C)c2ccccc2)c1 ZINC000726452037 574554528 /nfs/dbraw/zinc/55/45/28/574554528.db2.gz FGCFOQBFIACHPC-SFHVURJKSA-N 1 2 346.459 3.477 20 30 EGEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CSc1ccc(C#N)cc1 ZINC000728611487 574761870 /nfs/dbraw/zinc/76/18/70/574761870.db2.gz JBYPIAOVHCSSBO-INIZCTEOSA-N 1 2 342.468 3.078 20 30 EGEDLO C=CCn1nnn(C[N@H+]2CCCC[C@@H]2c2ccccc2OC)c1=S ZINC000729985722 574901303 /nfs/dbraw/zinc/90/13/03/574901303.db2.gz POWOGQOAHHJCJG-OAHLLOKOSA-N 1 2 345.472 3.188 20 30 EGEDLO C=CCn1nnn(C[N@@H+]2CCCC[C@@H]2c2ccccc2OC)c1=S ZINC000729985722 574901305 /nfs/dbraw/zinc/90/13/05/574901305.db2.gz POWOGQOAHHJCJG-OAHLLOKOSA-N 1 2 345.472 3.188 20 30 EGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(N2CCOC2=O)cc1 ZINC000730146775 574925401 /nfs/dbraw/zinc/92/54/01/574925401.db2.gz GLGHHBHLNUDWKI-UHFFFAOYSA-N 1 2 346.390 3.449 20 30 EGEDLO CC(C)C[N@H+](CCC#N)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000739915221 576518822 /nfs/dbraw/zinc/51/88/22/576518822.db2.gz WXPBIRKZOVZILS-INIZCTEOSA-N 1 2 347.422 3.095 20 30 EGEDLO CC(C)C[N@@H+](CCC#N)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000739915221 576518823 /nfs/dbraw/zinc/51/88/23/576518823.db2.gz WXPBIRKZOVZILS-INIZCTEOSA-N 1 2 347.422 3.095 20 30 EGEDLO C=C(C)CNC(=S)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000741877634 576730524 /nfs/dbraw/zinc/73/05/24/576730524.db2.gz YQFWQKGBKZKQPX-CQSZACIVSA-N 1 2 337.920 3.469 20 30 EGEDLO CC(C)(C)c1ccccc1NC(=O)CO[NH+]=C(N)c1ccccc1 ZINC000020887386 1291196143 /nfs/dbraw/zinc/19/61/43/1291196143.db2.gz IFEVNDGFQAVMBZ-UHFFFAOYSA-N 1 2 325.412 3.260 20 30 EGEDLO C=C(C)CN(CC)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000074739007 1292364134 /nfs/dbraw/zinc/36/41/34/1292364134.db2.gz LWYATBGEYCOCJQ-UHFFFAOYSA-N 1 2 344.503 3.329 20 30 EGEDLO C#CCOc1cccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000108518759 1293082254 /nfs/dbraw/zinc/08/22/54/1293082254.db2.gz WBWXIUFHELWQPK-UHFFFAOYSA-N 1 2 346.390 3.206 20 30 EGEDLO COc1ccc(N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)cc1F ZINC000122126557 1293402108 /nfs/dbraw/zinc/40/21/08/1293402108.db2.gz RIHWUFABPGNAAU-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO C#CCOc1ccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000130032780 1293642844 /nfs/dbraw/zinc/64/28/44/1293642844.db2.gz ZNRBGMHVEXKQAS-MAUKXSAKSA-N 1 2 338.411 3.010 20 30 EGEDLO NC(Cc1ccccc1)=[NH+]OCc1nnc(-c2ccccc2Cl)o1 ZINC000132042045 1293707478 /nfs/dbraw/zinc/70/74/78/1293707478.db2.gz JIDXETKNIKACRX-UHFFFAOYSA-N 1 2 342.786 3.422 20 30 EGEDLO C#CCOc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000151398357 1293923098 /nfs/dbraw/zinc/92/30/98/1293923098.db2.gz AYHXCFYCYQCGAY-UHFFFAOYSA-N 1 2 349.434 3.014 20 30 EGEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@@H](C)OC(C)(C)C2)cc1 ZINC000250117029 1296455108 /nfs/dbraw/zinc/45/51/08/1296455108.db2.gz QWFAZCPOLIQINS-SJORKVTESA-N 1 2 343.471 3.130 20 30 EGEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@@H](C)OC(C)(C)C2)cc1 ZINC000250117029 1296455113 /nfs/dbraw/zinc/45/51/13/1296455113.db2.gz QWFAZCPOLIQINS-SJORKVTESA-N 1 2 343.471 3.130 20 30 EGEDLO Cc1c(C(=O)/C=C\c2c[nH+]c3ccccn23)nnn1-c1ccc(F)cc1 ZINC000255887849 1296575116 /nfs/dbraw/zinc/57/51/16/1296575116.db2.gz LPIBYBCZENJMCO-KTKRTIGZSA-N 1 2 347.353 3.259 20 30 EGEDLO O=[N+]([O-])c1ccc(O)c(/C=N\C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000588614996 1298092805 /nfs/dbraw/zinc/09/28/05/1298092805.db2.gz QEVSCAVZZZBEQK-SDLDRHLBSA-N 1 2 339.395 3.241 20 30 EGEDLO O=[N+]([O-])c1ccc(O)c(/C=N\C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000588614996 1298092820 /nfs/dbraw/zinc/09/28/20/1298092820.db2.gz QEVSCAVZZZBEQK-SDLDRHLBSA-N 1 2 339.395 3.241 20 30 EGEDLO COCCOc1ccc(C(=O)/C=C\c2c[nH+]cn2C(C)C)cc1OC ZINC000606445304 1298096922 /nfs/dbraw/zinc/09/69/22/1298096922.db2.gz FIGXNLVWJCPXJD-SREVYHEPSA-N 1 2 344.411 3.394 20 30 EGEDLO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000746456720 1298590358 /nfs/dbraw/zinc/59/03/58/1298590358.db2.gz GMXOBBDPBOEMSI-CQSZACIVSA-N 1 2 327.453 3.401 20 30 EGEDLO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000746456720 1298590364 /nfs/dbraw/zinc/59/03/64/1298590364.db2.gz GMXOBBDPBOEMSI-CQSZACIVSA-N 1 2 327.453 3.401 20 30 EGEDLO C#CC[N@@H+](CC)Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000746456729 1298590626 /nfs/dbraw/zinc/59/06/26/1298590626.db2.gz GYPPQOGSFGJZKW-UHFFFAOYSA-N 1 2 327.449 3.283 20 30 EGEDLO C#CC[N@H+](CC)Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000746456729 1298590633 /nfs/dbraw/zinc/59/06/33/1298590633.db2.gz GYPPQOGSFGJZKW-UHFFFAOYSA-N 1 2 327.449 3.283 20 30 EGEDLO C#CCOc1cccc(NC(=O)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000746725350 1298649187 /nfs/dbraw/zinc/64/91/87/1298649187.db2.gz VWRSVSXDULPWKR-UHFFFAOYSA-N 1 2 348.406 3.019 20 30 EGEDLO C=CCOc1ccc(C=CC(=O)Nc2cc(C)[nH+]cc2C)cc1OC ZINC000747112400 1298730505 /nfs/dbraw/zinc/73/05/05/1298730505.db2.gz OWZBVXSEKSOEDW-CLFYSBASSA-N 1 2 338.407 3.346 20 30 EGEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3ccc(N4CCOCC4)cc3)n21 ZINC000748994165 1299122066 /nfs/dbraw/zinc/12/20/66/1299122066.db2.gz IOIRYLRNAIUDFM-KTKRTIGZSA-N 1 2 347.418 3.375 20 30 EGEDLO CC(N=Nc1nc(-c2ccncc2)no1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000750948171 1299485423 /nfs/dbraw/zinc/48/54/23/1299485423.db2.gz INIYRPYIMIJBKW-UHFFFAOYSA-N 1 2 345.366 3.153 20 30 EGEDLO CCc1ncc(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)s1 ZINC000877747305 1299526219 /nfs/dbraw/zinc/52/62/19/1299526219.db2.gz ZNDXQJAIFVIVAL-UHFFFAOYSA-N 1 2 330.432 3.038 20 30 EGEDLO CC(C)C[C@@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000751526490 1299561035 /nfs/dbraw/zinc/56/10/35/1299561035.db2.gz XSDVHLPZROENFN-CYBMUJFWSA-N 1 2 326.444 3.081 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000877993287 1299693956 /nfs/dbraw/zinc/69/39/56/1299693956.db2.gz HFGOGFDTEBDBTP-UHFFFAOYSA-N 1 2 330.476 3.159 20 30 EGEDLO COCC[N@H+](CCC#N)Cc1ccc(OCc2ccccc2)cc1O ZINC000753542586 1299968815 /nfs/dbraw/zinc/96/88/15/1299968815.db2.gz LVRJOZBOMDYMSR-UHFFFAOYSA-N 1 2 340.423 3.333 20 30 EGEDLO COCC[N@@H+](CCC#N)Cc1ccc(OCc2ccccc2)cc1O ZINC000753542586 1299968821 /nfs/dbraw/zinc/96/88/21/1299968821.db2.gz LVRJOZBOMDYMSR-UHFFFAOYSA-N 1 2 340.423 3.333 20 30 EGEDLO CC(C)(O)CCO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000754276049 1300115049 /nfs/dbraw/zinc/11/50/49/1300115049.db2.gz ALLAFUBWZYEKNM-UHFFFAOYSA-N 1 2 328.412 3.064 20 30 EGEDLO CN(C)c1cc(COC(=O)c2ccccc2SCC#N)cc[nH+]1 ZINC000755904808 1300413996 /nfs/dbraw/zinc/41/39/96/1300413996.db2.gz IPKPOIBTZYSPQW-UHFFFAOYSA-N 1 2 327.409 3.120 20 30 EGEDLO C#CCCCC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000757800726 1300735413 /nfs/dbraw/zinc/73/54/13/1300735413.db2.gz NJYOZJYEEARLHN-UHFFFAOYSA-N 1 2 338.373 3.153 20 30 EGEDLO COc1cc(F)cc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)c1 ZINC000759209840 1301042742 /nfs/dbraw/zinc/04/27/42/1301042742.db2.gz KHCNZOXWXDGVJL-UHFFFAOYSA-N 1 2 329.375 3.117 20 30 EGEDLO C=CC[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccncc1 ZINC000759583606 1301121753 /nfs/dbraw/zinc/12/17/53/1301121753.db2.gz REPQPNIDTGASLI-SZMVWBNQSA-N 1 2 339.443 3.188 20 30 EGEDLO N#Cc1cccc(Oc2ccnc(N3CCC[C@@H](n4cc[nH+]c4)C3)n2)c1 ZINC000881916048 1301756076 /nfs/dbraw/zinc/75/60/76/1301756076.db2.gz JZXMJVSHQCPKIL-MRXNPFEDSA-N 1 2 346.394 3.179 20 30 EGEDLO CC[N@H+](C)[C@@H](C(=O)OCc1ccc(C#N)cc1OC)c1ccccc1 ZINC000766901348 1302543247 /nfs/dbraw/zinc/54/32/47/1302543247.db2.gz XGNHVGMGSAAQHC-LJQANCHMSA-N 1 2 338.407 3.303 20 30 EGEDLO CC[N@@H+](C)[C@@H](C(=O)OCc1ccc(C#N)cc1OC)c1ccccc1 ZINC000766901348 1302543258 /nfs/dbraw/zinc/54/32/58/1302543258.db2.gz XGNHVGMGSAAQHC-LJQANCHMSA-N 1 2 338.407 3.303 20 30 EGEDLO C=CCCSCCNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883771512 1302586794 /nfs/dbraw/zinc/58/67/94/1302586794.db2.gz CSASOGFCKGVXIR-QGZVFWFLSA-N 1 2 344.484 3.233 20 30 EGEDLO C#CC[NH+]1CCN(c2nc(C)nc3sc(-c4ccccc4)cc32)CC1 ZINC000884002599 1302692775 /nfs/dbraw/zinc/69/27/75/1302692775.db2.gz OTTLCIRZWDBDOV-UHFFFAOYSA-N 1 2 348.475 3.422 20 30 EGEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cc(C)[nH+]cc2C)c1 ZINC000767941736 1302789976 /nfs/dbraw/zinc/78/99/76/1302789976.db2.gz IGQRFLDLWANORB-MRXNPFEDSA-N 1 2 338.411 3.123 20 30 EGEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(OC)c(OC[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000769975861 1303200708 /nfs/dbraw/zinc/20/07/08/1303200708.db2.gz MXBPDWHDZMKNMX-KBPBESRZSA-N 1 2 334.416 3.482 20 30 EGEDLO C#C[C@H](C)[N@H+](C)Cc1cc(OC)c(OC[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000769975861 1303200716 /nfs/dbraw/zinc/20/07/16/1303200716.db2.gz MXBPDWHDZMKNMX-KBPBESRZSA-N 1 2 334.416 3.482 20 30 EGEDLO Cc1c(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)c(C#N)c2n1CCC2 ZINC000771857490 1303450716 /nfs/dbraw/zinc/45/07/16/1303450716.db2.gz FFTQKLGFWANRLU-SREVYHEPSA-N 1 2 330.391 3.467 20 30 EGEDLO COc1ccc(CC(N)=[NH+]OCc2ccc(Cl)cc2C#N)cc1 ZINC000774752786 1303855896 /nfs/dbraw/zinc/85/58/96/1303855896.db2.gz SPAXNTLOYVUIQP-UHFFFAOYSA-N 1 2 329.787 3.461 20 30 EGEDLO C#CC[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 ZINC000775401630 1303957588 /nfs/dbraw/zinc/95/75/88/1303957588.db2.gz WVCIQXLSUYBMFP-SFHVURJKSA-N 1 2 328.375 3.462 20 30 EGEDLO CC(C)(C)c1csc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1C#N ZINC000888222152 1304074902 /nfs/dbraw/zinc/07/49/02/1304074902.db2.gz FJRGBIYZHXTPRH-LLVKDONJSA-N 1 2 343.456 3.250 20 30 EGEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(C#N)ccc1F ZINC000888355970 1304129014 /nfs/dbraw/zinc/12/90/14/1304129014.db2.gz ZLYZVKIPJRJXLO-HNNXBMFYSA-N 1 2 329.379 3.130 20 30 EGEDLO CCCCCC[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2n1C ZINC000778599241 1304472071 /nfs/dbraw/zinc/47/20/71/1304472071.db2.gz SRPHLTWMNASLGK-OAHLLOKOSA-N 1 2 326.444 3.262 20 30 EGEDLO CCCCCC[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2n1C ZINC000778599241 1304472074 /nfs/dbraw/zinc/47/20/74/1304472074.db2.gz SRPHLTWMNASLGK-OAHLLOKOSA-N 1 2 326.444 3.262 20 30 EGEDLO Fc1cccc(Cl)c1C[NH+]1CCC(N=Nc2ccncc2)CC1 ZINC000779810214 1304608356 /nfs/dbraw/zinc/60/83/56/1304608356.db2.gz ZMQZVARYWKNYNY-UHFFFAOYSA-N 1 2 332.810 3.360 20 30 EGEDLO Fc1cc(N[NH+]=Cc2c(Cl)cccc2N2CCOCC2)ccn1 ZINC000781131990 1304776420 /nfs/dbraw/zinc/77/64/20/1304776420.db2.gz HPFFSEMVYCNSQJ-UHFFFAOYSA-N 1 2 334.782 3.157 20 30 EGEDLO COc1ccc(C(N)=[NH+]OCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000782319681 1304952975 /nfs/dbraw/zinc/95/29/75/1304952975.db2.gz ZPHZFLSYRNBSIX-UHFFFAOYSA-N 1 2 335.747 3.094 20 30 EGEDLO N#CCc1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000784163098 1305199775 /nfs/dbraw/zinc/19/97/75/1305199775.db2.gz ZSXNYUITOWJBDG-ROUUACIJSA-N 1 2 342.464 3.139 20 30 EGEDLO N#CCc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000784163098 1305199781 /nfs/dbraw/zinc/19/97/81/1305199781.db2.gz ZSXNYUITOWJBDG-ROUUACIJSA-N 1 2 342.464 3.139 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cccc(C)c2Cl)C1 ZINC000970610762 1336327421 /nfs/dbraw/zinc/32/74/21/1336327421.db2.gz UCVYUVBRWUQAKF-GFCCVEGCSA-N 1 2 327.255 3.451 20 30 EGEDLO COCCN(C)c1ccc(C=[NH+]Nc2ccc(C#N)c(Cl)c2)cn1 ZINC000790172971 1306273100 /nfs/dbraw/zinc/27/31/00/1306273100.db2.gz BRVAEPCIKAGSNK-UHFFFAOYSA-N 1 2 343.818 3.135 20 30 EGEDLO Cc1cc(C(=O)OCc2cc[nH+]c(N)c2)c(C)n1-c1ccc(C#N)cc1 ZINC000791839663 1309075091 /nfs/dbraw/zinc/07/50/91/1309075091.db2.gz RVCVAYRVYODZHH-UHFFFAOYSA-N 1 2 346.390 3.300 20 30 EGEDLO COc1c(C)c[nH+]c(CNC(=O)c2ccc(C(C)(C)C#N)cc2)c1C ZINC000793298927 1309342643 /nfs/dbraw/zinc/34/26/43/1309342643.db2.gz KXMPGJFDNUMESQ-UHFFFAOYSA-N 1 2 337.423 3.438 20 30 EGEDLO Cc1cc(C(N)=[NH+]OCc2cccc(Br)n2)ccc1F ZINC000793835055 1309448553 /nfs/dbraw/zinc/44/85/53/1309448553.db2.gz JTKWWQKPSLVOEZ-UHFFFAOYSA-N 1 2 338.180 3.129 20 30 EGEDLO CC(=O)Nc1ccc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)cc1 ZINC000794710452 1309579990 /nfs/dbraw/zinc/57/99/90/1309579990.db2.gz HTHDQQBRJCJRME-CMDGGOBGSA-N 1 2 329.425 3.059 20 30 EGEDLO COc1cc2c(cc1OC)C(=O)/C(=C\c1c[nH+]c3ccc(C)cn13)C2 ZINC000794960573 1309633566 /nfs/dbraw/zinc/63/35/66/1309633566.db2.gz FDHMOIAUBIKIMQ-AUWJEWJLSA-N 1 2 334.375 3.482 20 30 EGEDLO CC1(C)C[N@H+](CCCOc2ccc(C#N)cc2)C[C@@H](C(F)(F)F)O1 ZINC000795063128 1309660168 /nfs/dbraw/zinc/66/01/68/1309660168.db2.gz TVTTZPPWUKPZNR-HNNXBMFYSA-N 1 2 342.361 3.369 20 30 EGEDLO CC1(C)C[N@@H+](CCCOc2ccc(C#N)cc2)C[C@@H](C(F)(F)F)O1 ZINC000795063128 1309660173 /nfs/dbraw/zinc/66/01/73/1309660173.db2.gz TVTTZPPWUKPZNR-HNNXBMFYSA-N 1 2 342.361 3.369 20 30 EGEDLO C[C@H](C#N)OCC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)O[C@@H](C)C1 ZINC000795069965 1309661942 /nfs/dbraw/zinc/66/19/42/1309661942.db2.gz UAJRNDLNKBTTLJ-WWGRRREGSA-N 1 2 342.361 3.396 20 30 EGEDLO C[C@H](C#N)OCC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)O[C@@H](C)C1 ZINC000795069965 1309661953 /nfs/dbraw/zinc/66/19/53/1309661953.db2.gz UAJRNDLNKBTTLJ-WWGRRREGSA-N 1 2 342.361 3.396 20 30 EGEDLO C#Cc1ccc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)cc1 ZINC000896175912 1309732199 /nfs/dbraw/zinc/73/21/99/1309732199.db2.gz XFTWSVMWTNVYBT-MRXNPFEDSA-N 1 2 334.419 3.313 20 30 EGEDLO Cc1cccc(C)c1C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000798274732 1310332744 /nfs/dbraw/zinc/33/27/44/1310332744.db2.gz JRCPQIFOTWLQFA-RDJZCZTQSA-N 1 2 329.444 3.152 20 30 EGEDLO CC(=[NH+][N-]c1[nH]c2cc(F)c(F)cc2[nH+]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799108939 1310487624 /nfs/dbraw/zinc/48/76/24/1310487624.db2.gz PBXKZMDUQFPYFP-UHFFFAOYSA-N 1 2 346.297 3.168 20 30 EGEDLO Cc1ccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1C#N ZINC000799319540 1310523483 /nfs/dbraw/zinc/52/34/83/1310523483.db2.gz KGUVXTQHHHEQMU-UHFFFAOYSA-N 1 2 346.390 3.395 20 30 EGEDLO CCOc1ccc(C=[NH+]CCCONC(=O)OC(C)(C)C)c(O)c1 ZINC000899229985 1310990011 /nfs/dbraw/zinc/99/00/11/1310990011.db2.gz ATQDJLHCSBQHGS-LDADJPATSA-N 1 2 338.404 3.056 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccnc(Cl)c3F)CC2)cc1 ZINC000823386944 1320173966 /nfs/dbraw/zinc/17/39/66/1320173966.db2.gz QPKMSVGPAYAXNX-UHFFFAOYSA-N 1 2 344.821 3.064 20 30 EGEDLO Cc1nsc(NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1C#N ZINC000804506463 1317253310 /nfs/dbraw/zinc/25/33/10/1317253310.db2.gz VOWXAMUFJHHNBV-UHFFFAOYSA-N 1 2 341.484 3.470 20 30 EGEDLO COc1cc(C(=O)/C=C\c2c[nH+]cn2C(C)C)cc(OC)c1OC ZINC000901417266 1317422919 /nfs/dbraw/zinc/42/29/19/1317422919.db2.gz LMDYLHACSWRDHS-SREVYHEPSA-N 1 2 330.384 3.386 20 30 EGEDLO COc1cc(C(=O)/C=C/c2c[nH+]cn2C(C)C)cc(OC)c1OC ZINC000901417267 1317423364 /nfs/dbraw/zinc/42/33/64/1317423364.db2.gz LMDYLHACSWRDHS-VOTSOKGWSA-N 1 2 330.384 3.386 20 30 EGEDLO CCn1c[nH+]cc1/C=C/C(=O)c1ccc(N2CCCOC2=O)cc1 ZINC000901514962 1317437559 /nfs/dbraw/zinc/43/75/59/1317437559.db2.gz XRJBNPZPFMHRRO-CMDGGOBGSA-N 1 2 325.368 3.146 20 30 EGEDLO COC(=O)c1ccc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)c(C)c1 ZINC000901569006 1317447636 /nfs/dbraw/zinc/44/76/36/1317447636.db2.gz HIDPVMRVHBQKBY-BQYQJAHWSA-N 1 2 344.436 3.196 20 30 EGEDLO C#Cc1ccccc1CC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000811084635 1318104035 /nfs/dbraw/zinc/10/40/35/1318104035.db2.gz SBMRNACJJVTXCQ-INIZCTEOSA-N 1 2 338.476 3.177 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1ccc(Cl)cc1 ZINC000811516548 1318191704 /nfs/dbraw/zinc/19/17/04/1318191704.db2.gz PBVPSQPUMUTTRF-CQSZACIVSA-N 1 2 346.770 3.427 20 30 EGEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccc(Br)nc1 ZINC000811697523 1318229399 /nfs/dbraw/zinc/22/93/99/1318229399.db2.gz UEWXKWGKMDGTAC-WAYWQWQTSA-N 1 2 328.169 3.388 20 30 EGEDLO O=C(C#CC1CC1)N1CCC[C@@H]2C[N@H+](C/C(Cl)=C\Cl)CC[C@H]21 ZINC001021581994 1318425519 /nfs/dbraw/zinc/42/55/19/1318425519.db2.gz SPCCBQNSYTYVRY-WYURMQSCSA-N 1 2 341.282 3.032 20 30 EGEDLO O=C(C#CC1CC1)N1CCC[C@@H]2C[N@@H+](C/C(Cl)=C\Cl)CC[C@H]21 ZINC001021581994 1318425525 /nfs/dbraw/zinc/42/55/25/1318425525.db2.gz SPCCBQNSYTYVRY-WYURMQSCSA-N 1 2 341.282 3.032 20 30 EGEDLO C[C@H]1C(=NNc2cnnc(O)c2Cl)CCC[N@H+]1Cc1ccccc1 ZINC000814782202 1318814556 /nfs/dbraw/zinc/81/45/56/1318814556.db2.gz GUGKHVJIFSTIMN-LBPRGKRZSA-N 1 2 345.834 3.288 20 30 EGEDLO C[C@H]1C(=NNc2cnnc(O)c2Cl)CCC[N@@H+]1Cc1ccccc1 ZINC000814782202 1318814565 /nfs/dbraw/zinc/81/45/65/1318814565.db2.gz GUGKHVJIFSTIMN-LBPRGKRZSA-N 1 2 345.834 3.288 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)c2cc3ccccc3o2)c1 ZINC000815022020 1318869913 /nfs/dbraw/zinc/86/99/13/1318869913.db2.gz WVJSJSXDMLMJJJ-GOSISDBHSA-N 1 2 348.402 3.018 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)c2cc3ccccc3o2)c1 ZINC000815022020 1318869922 /nfs/dbraw/zinc/86/99/22/1318869922.db2.gz WVJSJSXDMLMJJJ-GOSISDBHSA-N 1 2 348.402 3.018 20 30 EGEDLO C[Si](C)(C)C#CCCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000912328862 1318870337 /nfs/dbraw/zinc/87/03/37/1318870337.db2.gz TWSGPSBXFYSSIV-KRWDZBQOSA-N 1 2 339.515 3.319 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)[C@H](C)c1ncccn1 ZINC000960786851 1318887469 /nfs/dbraw/zinc/88/74/69/1318887469.db2.gz LWXVHTQMOJSLES-HZPDHXFCSA-N 1 2 330.476 3.063 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)[C@H](C)c1ncccn1 ZINC000960786851 1318887477 /nfs/dbraw/zinc/88/74/77/1318887477.db2.gz LWXVHTQMOJSLES-HZPDHXFCSA-N 1 2 330.476 3.063 20 30 EGEDLO C=C1CCN(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000930227608 1328816306 /nfs/dbraw/zinc/81/63/06/1328816306.db2.gz JWVDHXSUYSGOOU-MRXNPFEDSA-N 1 2 329.444 3.264 20 30 EGEDLO N#CCCCCCC(=O)OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000817188547 1319292470 /nfs/dbraw/zinc/29/24/70/1319292470.db2.gz RGBYENUJHHLILI-UHFFFAOYSA-N 1 2 330.428 3.036 20 30 EGEDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)s1 ZINC000818232070 1319523770 /nfs/dbraw/zinc/52/37/70/1319523770.db2.gz PURIQBVEUJTZQY-NEPJUHHUSA-N 1 2 345.424 3.071 20 30 EGEDLO Cc1nc(-c2ccccc2)[nH]c1C(=O)C=Cc1c[nH+]c(N(C)C)n1C ZINC000821040564 1319996056 /nfs/dbraw/zinc/99/60/56/1319996056.db2.gz ZNIHVDDENQGPOU-KHPPLWFESA-N 1 2 335.411 3.081 20 30 EGEDLO CC[N@@H+](Cc1c[nH]c(C(=O)OCc2ccccc2)c1)C[C@@H](C)C#N ZINC000823408552 1320176741 /nfs/dbraw/zinc/17/67/41/1320176741.db2.gz LJYKSTIKSJVXGI-HNNXBMFYSA-N 1 2 325.412 3.353 20 30 EGEDLO CC[N@H+](Cc1c[nH]c(C(=O)OCc2ccccc2)c1)C[C@@H](C)C#N ZINC000823408552 1320176743 /nfs/dbraw/zinc/17/67/43/1320176743.db2.gz LJYKSTIKSJVXGI-HNNXBMFYSA-N 1 2 325.412 3.353 20 30 EGEDLO CCc1nc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)co1 ZINC000825049998 1320306593 /nfs/dbraw/zinc/30/65/93/1320306593.db2.gz FLOSKYOCYIMBAA-UHFFFAOYSA-N 1 2 335.411 3.304 20 30 EGEDLO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC000840742785 1321139113 /nfs/dbraw/zinc/13/91/13/1321139113.db2.gz CSOCKHNYZUUQDA-CYBMUJFWSA-N 1 2 336.482 3.062 20 30 EGEDLO Cc1cc(C#N)ccc1NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000846746037 1321804428 /nfs/dbraw/zinc/80/44/28/1321804428.db2.gz XPPDANVBTRVGGC-KRWDZBQOSA-N 1 2 327.453 3.414 20 30 EGEDLO CC(C)(C)C[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000852663551 1323221643 /nfs/dbraw/zinc/22/16/43/1323221643.db2.gz NPIKLGLKJFHVOG-QGZVFWFLSA-N 1 2 346.471 3.281 20 30 EGEDLO CC(C)(C)C[N@H+](CC(=O)OC(C)(C)C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000852663551 1323221647 /nfs/dbraw/zinc/22/16/47/1323221647.db2.gz NPIKLGLKJFHVOG-QGZVFWFLSA-N 1 2 346.471 3.281 20 30 EGEDLO Cc1cccc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)n1 ZINC001024333775 1323321070 /nfs/dbraw/zinc/32/10/70/1323321070.db2.gz UHZKSOGFLPWSAF-IBGZPJMESA-N 1 2 348.450 3.046 20 30 EGEDLO Cc1cccc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)n1 ZINC001024333775 1323321073 /nfs/dbraw/zinc/32/10/73/1323321073.db2.gz UHZKSOGFLPWSAF-IBGZPJMESA-N 1 2 348.450 3.046 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1[nH]cnc1C(C)(C)C ZINC001024447530 1323408030 /nfs/dbraw/zinc/40/80/30/1323408030.db2.gz WUOHVOPEKYVFLZ-ZDUSSCGKSA-N 1 2 338.883 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1[nH]cnc1C(C)(C)C ZINC001024447530 1323408033 /nfs/dbraw/zinc/40/80/33/1323408033.db2.gz WUOHVOPEKYVFLZ-ZDUSSCGKSA-N 1 2 338.883 3.044 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC001024480180 1323435582 /nfs/dbraw/zinc/43/55/82/1323435582.db2.gz CKESBGYWGCEOIV-ZDUSSCGKSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC001024480180 1323435584 /nfs/dbraw/zinc/43/55/84/1323435584.db2.gz CKESBGYWGCEOIV-ZDUSSCGKSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1COC ZINC001024529764 1323475629 /nfs/dbraw/zinc/47/56/29/1323475629.db2.gz YHIWBTXUXKRYSX-MRXNPFEDSA-N 1 2 336.863 3.170 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1COC ZINC001024529764 1323475631 /nfs/dbraw/zinc/47/56/31/1323475631.db2.gz YHIWBTXUXKRYSX-MRXNPFEDSA-N 1 2 336.863 3.170 20 30 EGEDLO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1scnc1C1CCCC1 ZINC001024537108 1323479125 /nfs/dbraw/zinc/47/91/25/1323479125.db2.gz ATMWCCJYYIAZJO-HNNXBMFYSA-N 1 2 331.485 3.018 20 30 EGEDLO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1scnc1C1CCCC1 ZINC001024537108 1323479132 /nfs/dbraw/zinc/47/91/32/1323479132.db2.gz ATMWCCJYYIAZJO-HNNXBMFYSA-N 1 2 331.485 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccnc1C(F)F ZINC001024546586 1323489086 /nfs/dbraw/zinc/48/90/86/1323489086.db2.gz ZZIPQQLNRRJXOX-LBPRGKRZSA-N 1 2 343.805 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccnc1C(F)F ZINC001024546586 1323489089 /nfs/dbraw/zinc/48/90/89/1323489089.db2.gz ZZIPQQLNRRJXOX-LBPRGKRZSA-N 1 2 343.805 3.356 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001024597831 1323529088 /nfs/dbraw/zinc/52/90/88/1323529088.db2.gz YDGCKVRERZKINV-KGLIPLIRSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001024597831 1323529092 /nfs/dbraw/zinc/52/90/92/1323529092.db2.gz YDGCKVRERZKINV-KGLIPLIRSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cn(C(C)C)nc1C ZINC001024755287 1323657049 /nfs/dbraw/zinc/65/70/49/1323657049.db2.gz GIJMMPQADRGZHX-HNNXBMFYSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cn(C(C)C)nc1C ZINC001024755287 1323657053 /nfs/dbraw/zinc/65/70/53/1323657053.db2.gz GIJMMPQADRGZHX-HNNXBMFYSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001024830525 1323733321 /nfs/dbraw/zinc/73/33/21/1323733321.db2.gz SQQONVXWTDVCBS-SJORKVTESA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001024830525 1323733325 /nfs/dbraw/zinc/73/33/25/1323733325.db2.gz SQQONVXWTDVCBS-SJORKVTESA-N 1 2 348.874 3.022 20 30 EGEDLO C=C1CCC(C(=O)N2CCCC[C@@H]2C[NH2+][C@@H](C)c2noc(C)n2)CC1 ZINC001025068426 1323869735 /nfs/dbraw/zinc/86/97/35/1323869735.db2.gz LCAIVQWXSFZEGF-WMLDXEAASA-N 1 2 346.475 3.156 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nc(CCC)no1 ZINC001025070149 1323871762 /nfs/dbraw/zinc/87/17/62/1323871762.db2.gz VJLDBNHHEGIVBK-DNVCBOLYSA-N 1 2 348.491 3.095 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(=O)C(C)(C)C ZINC001025213522 1324002452 /nfs/dbraw/zinc/00/24/52/1324002452.db2.gz MFHPTIYTPPWRQX-CABCVRRESA-N 1 2 340.895 3.200 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(=O)C(C)(C)C ZINC001025213522 1324002458 /nfs/dbraw/zinc/00/24/58/1324002458.db2.gz MFHPTIYTPPWRQX-CABCVRRESA-N 1 2 340.895 3.200 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](c1ccnn1C)C(C)C ZINC000853526830 1325115172 /nfs/dbraw/zinc/11/51/72/1325115172.db2.gz ZRXHXLYGJPKVFH-INIZCTEOSA-N 1 2 326.444 3.459 20 30 EGEDLO C=CC[N@H+](CN1C(=O)C2(CCC2)[C@H]1c1ccccc1)[C@H](C)COC ZINC000853535004 1325117462 /nfs/dbraw/zinc/11/74/62/1325117462.db2.gz OJIHEDCHYWUKFU-SJLPKXTDSA-N 1 2 328.456 3.221 20 30 EGEDLO C=CC[N@@H+](CN1C(=O)C2(CCC2)[C@H]1c1ccccc1)[C@H](C)COC ZINC000853535004 1325117471 /nfs/dbraw/zinc/11/74/71/1325117471.db2.gz OJIHEDCHYWUKFU-SJLPKXTDSA-N 1 2 328.456 3.221 20 30 EGEDLO CC[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1cccc(C#N)c1O ZINC000925574777 1325217644 /nfs/dbraw/zinc/21/76/44/1325217644.db2.gz DORVGMKMIJLJTE-ZVZYQTTQSA-N 1 2 332.469 3.359 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)C(CC)CC)C1 ZINC001027301534 1325443548 /nfs/dbraw/zinc/44/35/48/1325443548.db2.gz MZGHBMYMSJPJQU-CQSZACIVSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)C(CC)CC)C1 ZINC001027301534 1325443550 /nfs/dbraw/zinc/44/35/50/1325443550.db2.gz MZGHBMYMSJPJQU-CQSZACIVSA-N 1 2 331.298 3.254 20 30 EGEDLO C=CCOc1ccccc1C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927099600 1327861367 /nfs/dbraw/zinc/86/13/67/1327861367.db2.gz QBFUEGHLASVQDW-UHFFFAOYSA-N 1 2 337.423 3.363 20 30 EGEDLO N#Cc1ccc(NCC[NH2+][C@@H](CCc2ccccc2)C(F)F)nc1 ZINC000927166465 1327903538 /nfs/dbraw/zinc/90/35/38/1327903538.db2.gz YQDWOVIWUNOUQZ-INIZCTEOSA-N 1 2 330.382 3.221 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2cc(C)cn2c1 ZINC001027926827 1328404615 /nfs/dbraw/zinc/40/46/15/1328404615.db2.gz YKBGHEUMNXUHII-QGZVFWFLSA-N 1 2 331.847 3.194 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2cc(C)cn2c1 ZINC001027926827 1328404618 /nfs/dbraw/zinc/40/46/18/1328404618.db2.gz YKBGHEUMNXUHII-QGZVFWFLSA-N 1 2 331.847 3.194 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn3c2CCCC3)C1 ZINC000966840676 1328435432 /nfs/dbraw/zinc/43/54/32/1328435432.db2.gz FZJLRSSHRQOUHK-CJNGLKHVSA-N 1 2 335.879 3.017 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn3c2CCCC3)C1 ZINC000966840676 1328435444 /nfs/dbraw/zinc/43/54/44/1328435444.db2.gz FZJLRSSHRQOUHK-CJNGLKHVSA-N 1 2 335.879 3.017 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC001027979093 1328452136 /nfs/dbraw/zinc/45/21/36/1328452136.db2.gz UYSSJDRNFSGJEV-MSOLQXFVSA-N 1 2 348.874 3.137 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC001027979093 1328452140 /nfs/dbraw/zinc/45/21/40/1328452140.db2.gz UYSSJDRNFSGJEV-MSOLQXFVSA-N 1 2 348.874 3.137 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2ccccc2CC)C1 ZINC000966903073 1328463627 /nfs/dbraw/zinc/46/36/27/1328463627.db2.gz ARRXMJQJUUECJV-RDTXWAMCSA-N 1 2 334.891 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2ccccc2CC)C1 ZINC000966903073 1328463633 /nfs/dbraw/zinc/46/36/33/1328463633.db2.gz ARRXMJQJUUECJV-RDTXWAMCSA-N 1 2 334.891 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1nc(Cl)sc1C ZINC001028019268 1328481801 /nfs/dbraw/zinc/48/18/01/1328481801.db2.gz RKESNYBLOOYGHZ-JTQLQIEISA-N 1 2 334.272 3.052 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1nc(Cl)sc1C ZINC001028019268 1328481803 /nfs/dbraw/zinc/48/18/03/1328481803.db2.gz RKESNYBLOOYGHZ-JTQLQIEISA-N 1 2 334.272 3.052 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2cc(C)ccc2O1 ZINC001028025370 1328490041 /nfs/dbraw/zinc/49/00/41/1328490041.db2.gz ITXRIVKEBBSYAZ-AEFFLSMTSA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2cc(C)ccc2O1 ZINC001028025370 1328490044 /nfs/dbraw/zinc/49/00/44/1328490044.db2.gz ITXRIVKEBBSYAZ-AEFFLSMTSA-N 1 2 348.874 3.022 20 30 EGEDLO Cc1ccn(C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)c(=O)c1C#N ZINC000863274438 1329543148 /nfs/dbraw/zinc/54/31/48/1329543148.db2.gz YMRWALJHMKTFIY-OAHLLOKOSA-N 1 2 343.377 3.144 20 30 EGEDLO Cc1ccn(C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)c(=O)c1C#N ZINC000863274438 1329543151 /nfs/dbraw/zinc/54/31/51/1329543151.db2.gz YMRWALJHMKTFIY-OAHLLOKOSA-N 1 2 343.377 3.144 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000934629022 1329994131 /nfs/dbraw/zinc/99/41/31/1329994131.db2.gz LXPQEDLLHOMULH-JKSUJKDBSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000934629022 1329994132 /nfs/dbraw/zinc/99/41/32/1329994132.db2.gz LXPQEDLLHOMULH-JKSUJKDBSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CCCC2)C[C@H]1C ZINC000947588732 1333184164 /nfs/dbraw/zinc/18/41/64/1333184164.db2.gz HMFFTXUWWNNXEQ-ZIAGYGMSSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C2(C)CCCC2)C[C@H]1C ZINC000947588732 1333184161 /nfs/dbraw/zinc/18/41/61/1333184161.db2.gz HMFFTXUWWNNXEQ-ZIAGYGMSSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3ncc(CC)o3)[C@H](C)C2)C1 ZINC000947703071 1333234226 /nfs/dbraw/zinc/23/42/26/1333234226.db2.gz VFOUFIAWHRZIMH-HUUCEWRRSA-N 1 2 331.460 3.062 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3ncc(CC)o3)[C@H](C)C2)C1 ZINC000947703071 1333234228 /nfs/dbraw/zinc/23/42/28/1333234228.db2.gz VFOUFIAWHRZIMH-HUUCEWRRSA-N 1 2 331.460 3.062 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](CCOc2cc(C)cc(C)c2)CC1 ZINC000950051732 1334003550 /nfs/dbraw/zinc/00/35/50/1334003550.db2.gz SIIQNIHLRVWOQX-OAQYLSRUSA-N 1 2 344.499 3.429 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[NH+](CCOc3cccc(Cl)c3)CC2)C1 ZINC000950386348 1334057333 /nfs/dbraw/zinc/05/73/33/1334057333.db2.gz ZNBZMGNEYZVTFU-UHFFFAOYSA-N 1 2 348.874 3.219 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2C[N@@H+](Cc3nc(C)oc3C)CC[C@H]2C)CC1 ZINC000968190657 1335868791 /nfs/dbraw/zinc/86/87/91/1335868791.db2.gz LCXILNAXXUEJQM-KDOFPFPSSA-N 1 2 345.487 3.364 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2C[N@H+](Cc3nc(C)oc3C)CC[C@H]2C)CC1 ZINC000968190657 1335868793 /nfs/dbraw/zinc/86/87/93/1335868793.db2.gz LCXILNAXXUEJQM-KDOFPFPSSA-N 1 2 345.487 3.364 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC000968194591 1335869071 /nfs/dbraw/zinc/86/90/71/1335869071.db2.gz ZILMLGYHHQQMDC-MAUKXSAKSA-N 1 2 334.891 3.425 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC000968194591 1335869073 /nfs/dbraw/zinc/86/90/73/1335869073.db2.gz ZILMLGYHHQQMDC-MAUKXSAKSA-N 1 2 334.891 3.425 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3ncc(C)s3)CC[C@H]2C)C1 ZINC000968276293 1335882873 /nfs/dbraw/zinc/88/28/73/1335882873.db2.gz VWFQQCNOWKSLIY-UKRRQHHQSA-N 1 2 333.501 3.134 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3ncc(C)s3)CC[C@H]2C)C1 ZINC000968276293 1335882876 /nfs/dbraw/zinc/88/28/76/1335882876.db2.gz VWFQQCNOWKSLIY-UKRRQHHQSA-N 1 2 333.501 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc3ccncc32)C1 ZINC000968493158 1335941000 /nfs/dbraw/zinc/94/10/00/1335941000.db2.gz PKEGPDIDJXUNPP-UGSOOPFHSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc3ccncc32)C1 ZINC000968493158 1335941002 /nfs/dbraw/zinc/94/10/02/1335941002.db2.gz PKEGPDIDJXUNPP-UGSOOPFHSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC000968521753 1335952713 /nfs/dbraw/zinc/95/27/13/1335952713.db2.gz WGZMZSRXJUPKPU-RISCZKNCSA-N 1 2 338.883 3.034 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC000968521753 1335952714 /nfs/dbraw/zinc/95/27/14/1335952714.db2.gz WGZMZSRXJUPKPU-RISCZKNCSA-N 1 2 338.883 3.034 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC000968795583 1336054096 /nfs/dbraw/zinc/05/40/96/1336054096.db2.gz SRWUKSKTEJGMLL-CYBMUJFWSA-N 1 2 337.851 3.021 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1oc(C)nc1C ZINC000968796314 1336054251 /nfs/dbraw/zinc/05/42/51/1336054251.db2.gz ITQNJODRTRGYPN-CQSZACIVSA-N 1 2 325.840 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1oc(C)nc1C ZINC000968796314 1336054255 /nfs/dbraw/zinc/05/42/55/1336054255.db2.gz ITQNJODRTRGYPN-CQSZACIVSA-N 1 2 325.840 3.018 20 30 EGEDLO C=C(Br)C[N@H+]1CCCCC[C@@H]1CNC(=O)C1CC(C)C1 ZINC000968809284 1336057999 /nfs/dbraw/zinc/05/79/99/1336057999.db2.gz GSZOBNUWEZHUNE-PESDSKBTSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CC(C)C1 ZINC000968809284 1336058003 /nfs/dbraw/zinc/05/80/03/1336058003.db2.gz GSZOBNUWEZHUNE-PESDSKBTSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC000969960838 1336266738 /nfs/dbraw/zinc/26/67/38/1336266738.db2.gz ICASRXCEOHHTJN-RDTXWAMCSA-N 1 2 332.875 3.296 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)C2(C)CCC2)CC1 ZINC001005834451 1336406348 /nfs/dbraw/zinc/40/63/48/1336406348.db2.gz VUVSTIWFLDOAEZ-UHFFFAOYSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)C(C)(C)C2CC2)CC1 ZINC001005853283 1336410330 /nfs/dbraw/zinc/41/03/30/1336410330.db2.gz QCJNTKODCVRULS-UHFFFAOYSA-N 1 2 343.309 3.254 20 30 EGEDLO C=C1CCC(C(=O)N(C)C2CC[NH+](Cc3ncc(CC)o3)CC2)CC1 ZINC001005929210 1336423230 /nfs/dbraw/zinc/42/32/30/1336423230.db2.gz ILRSBKFECPUYTM-UHFFFAOYSA-N 1 2 345.487 3.406 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)C2CC3(CC3)C2)CC1 ZINC001005973034 1336432870 /nfs/dbraw/zinc/43/28/70/1336432870.db2.gz DUGRKUODCHPXIA-UHFFFAOYSA-N 1 2 341.293 3.008 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CC=CCC3)C2)c(F)c1 ZINC001006724590 1336564096 /nfs/dbraw/zinc/56/40/96/1336564096.db2.gz ULNPBHMYJGAZHI-FUHWJXTLSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3CC=CCC3)C2)c(F)c1 ZINC001006724590 1336564097 /nfs/dbraw/zinc/56/40/97/1336564097.db2.gz ULNPBHMYJGAZHI-FUHWJXTLSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC001007635870 1336681170 /nfs/dbraw/zinc/68/11/70/1336681170.db2.gz JOEXETVPVRDWEL-RBUKOAKNSA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC001007635870 1336681172 /nfs/dbraw/zinc/68/11/72/1336681172.db2.gz JOEXETVPVRDWEL-RBUKOAKNSA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](NC(=O)C3(F)CCCC3)C2)c1 ZINC001007719596 1336690510 /nfs/dbraw/zinc/69/05/10/1336690510.db2.gz OUJNSZCFIZELDB-MRXNPFEDSA-N 1 2 347.409 3.060 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](NC(=O)C3(F)CCCC3)C2)c1 ZINC001007719596 1336690512 /nfs/dbraw/zinc/69/05/12/1336690512.db2.gz OUJNSZCFIZELDB-MRXNPFEDSA-N 1 2 347.409 3.060 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)C(C)(C)CO3)C1 ZINC001007908043 1336730609 /nfs/dbraw/zinc/73/06/09/1336730609.db2.gz ONFFXJKYCVOJSS-HNNXBMFYSA-N 1 2 348.874 3.303 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)C(C)(C)CO3)C1 ZINC001007908043 1336730610 /nfs/dbraw/zinc/73/06/10/1336730610.db2.gz ONFFXJKYCVOJSS-HNNXBMFYSA-N 1 2 348.874 3.303 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2cccc3cccnc32)C1 ZINC001008116445 1336773060 /nfs/dbraw/zinc/77/30/60/1336773060.db2.gz OQEZKXUVGZILQS-KRWDZBQOSA-N 1 2 343.858 3.110 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2cccc3cccnc32)C1 ZINC001008116445 1336773062 /nfs/dbraw/zinc/77/30/62/1336773062.db2.gz OQEZKXUVGZILQS-KRWDZBQOSA-N 1 2 343.858 3.110 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cccc3cccnc32)C1 ZINC001008116447 1336773412 /nfs/dbraw/zinc/77/34/12/1336773412.db2.gz OQEZKXUVGZILQS-QGZVFWFLSA-N 1 2 343.858 3.110 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2cccc3cccnc32)C1 ZINC001008116447 1336773416 /nfs/dbraw/zinc/77/34/16/1336773416.db2.gz OQEZKXUVGZILQS-QGZVFWFLSA-N 1 2 343.858 3.110 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001008200613 1336790990 /nfs/dbraw/zinc/79/09/90/1336790990.db2.gz GASHLTXRGZTQAB-PXNSSMCTSA-N 1 2 337.467 3.385 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001008200613 1336790994 /nfs/dbraw/zinc/79/09/94/1336790994.db2.gz GASHLTXRGZTQAB-PXNSSMCTSA-N 1 2 337.467 3.385 20 30 EGEDLO C[C@@]1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(C#N)ccc3F)C2)C=CCC1 ZINC001008228933 1336798297 /nfs/dbraw/zinc/79/82/97/1336798297.db2.gz GPOITHXIDNJDGB-FXAWDEMLSA-N 1 2 341.430 3.134 20 30 EGEDLO C[C@@]1(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)C=CCC1 ZINC001008228933 1336798301 /nfs/dbraw/zinc/79/83/01/1336798301.db2.gz GPOITHXIDNJDGB-FXAWDEMLSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(c3cccnc3)CCCC2)C1 ZINC001008335686 1336825419 /nfs/dbraw/zinc/82/54/19/1336825419.db2.gz AMYAYAJWQWTMCA-QGZVFWFLSA-N 1 2 347.890 3.227 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(c3cccnc3)CCCC2)C1 ZINC001008335686 1336825421 /nfs/dbraw/zinc/82/54/21/1336825421.db2.gz AMYAYAJWQWTMCA-QGZVFWFLSA-N 1 2 347.890 3.227 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2(c3cccnc3)CCCC2)C1 ZINC001008335685 1336825442 /nfs/dbraw/zinc/82/54/42/1336825442.db2.gz AMYAYAJWQWTMCA-KRWDZBQOSA-N 1 2 347.890 3.227 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2(c3cccnc3)CCCC2)C1 ZINC001008335685 1336825444 /nfs/dbraw/zinc/82/54/44/1336825444.db2.gz AMYAYAJWQWTMCA-KRWDZBQOSA-N 1 2 347.890 3.227 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC001008659288 1336905660 /nfs/dbraw/zinc/90/56/60/1336905660.db2.gz NJFYHVONNCPIPG-ZDUSSCGKSA-N 1 2 345.245 3.355 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC001008659288 1336905662 /nfs/dbraw/zinc/90/56/62/1336905662.db2.gz NJFYHVONNCPIPG-ZDUSSCGKSA-N 1 2 345.245 3.355 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001008806954 1336928988 /nfs/dbraw/zinc/92/89/88/1336928988.db2.gz BCAODUSPXDFBGZ-VNQPRFMTSA-N 1 2 336.838 3.262 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001008806954 1336928991 /nfs/dbraw/zinc/92/89/91/1336928991.db2.gz BCAODUSPXDFBGZ-VNQPRFMTSA-N 1 2 336.838 3.262 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3cccnc3c2)C1 ZINC001008914674 1336942455 /nfs/dbraw/zinc/94/24/55/1336942455.db2.gz QRTODHJZMAFXFU-MRXNPFEDSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3cccnc3c2)C1 ZINC001008914674 1336942457 /nfs/dbraw/zinc/94/24/57/1336942457.db2.gz QRTODHJZMAFXFU-MRXNPFEDSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cc(C)nc3ccccc32)C1 ZINC001009427420 1337022546 /nfs/dbraw/zinc/02/25/46/1337022546.db2.gz VBXDVQAQXOOVKJ-OAHLLOKOSA-N 1 2 343.858 3.490 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)nc3ccccc32)C1 ZINC001009427420 1337022549 /nfs/dbraw/zinc/02/25/49/1337022549.db2.gz VBXDVQAQXOOVKJ-OAHLLOKOSA-N 1 2 343.858 3.490 20 30 EGEDLO Cc1ccoc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001010195109 1337157230 /nfs/dbraw/zinc/15/72/30/1337157230.db2.gz NZCCGCQWGPTWCJ-KRWDZBQOSA-N 1 2 342.826 3.097 20 30 EGEDLO Cc1ccoc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001010195109 1337157231 /nfs/dbraw/zinc/15/72/31/1337157231.db2.gz NZCCGCQWGPTWCJ-KRWDZBQOSA-N 1 2 342.826 3.097 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC001014774128 1337906937 /nfs/dbraw/zinc/90/69/37/1337906937.db2.gz BRWXIJZZTLTHGF-KSZLIROESA-N 1 2 348.874 3.097 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC001014774128 1337906939 /nfs/dbraw/zinc/90/69/39/1337906939.db2.gz BRWXIJZZTLTHGF-KSZLIROESA-N 1 2 348.874 3.097 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2cscc2Cl)C1 ZINC001014843846 1337921953 /nfs/dbraw/zinc/92/19/53/1337921953.db2.gz BENRLWWCIPSSHK-AWEZNQCLSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2cscc2Cl)C1 ZINC001014843846 1337921958 /nfs/dbraw/zinc/92/19/58/1337921958.db2.gz BENRLWWCIPSSHK-AWEZNQCLSA-N 1 2 345.855 3.277 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(OC)c(C(C)C)c2)C1 ZINC001015127235 1338025982 /nfs/dbraw/zinc/02/59/82/1338025982.db2.gz MVPOHMJBKVNNFU-OAHLLOKOSA-N 1 2 336.863 3.375 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(OC)c(C(C)C)c2)C1 ZINC001015127235 1338025987 /nfs/dbraw/zinc/02/59/87/1338025987.db2.gz MVPOHMJBKVNNFU-OAHLLOKOSA-N 1 2 336.863 3.375 20 30 EGEDLO CC1(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)CCC1 ZINC001015532094 1338172045 /nfs/dbraw/zinc/17/20/45/1338172045.db2.gz DHYQCZISDMINFP-QGZVFWFLSA-N 1 2 330.859 3.072 20 30 EGEDLO CC1(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)CCC1 ZINC001015532094 1338172047 /nfs/dbraw/zinc/17/20/47/1338172047.db2.gz DHYQCZISDMINFP-QGZVFWFLSA-N 1 2 330.859 3.072 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(Cl)n3)C2)CC1 ZINC001015659872 1338238901 /nfs/dbraw/zinc/23/89/01/1338238901.db2.gz MDEPPBYSHYSYDH-INIZCTEOSA-N 1 2 333.863 3.172 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cccc(Cl)n3)C2)CC1 ZINC001015659872 1338238905 /nfs/dbraw/zinc/23/89/05/1338238905.db2.gz MDEPPBYSHYSYDH-INIZCTEOSA-N 1 2 333.863 3.172 20 30 EGEDLO CCc1cc(C)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)o1 ZINC001015999444 1338400155 /nfs/dbraw/zinc/40/01/55/1338400155.db2.gz OWWFZYZRUNPMDQ-CYBMUJFWSA-N 1 2 343.452 3.088 20 30 EGEDLO CCc1cc(C)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)o1 ZINC001015999444 1338400158 /nfs/dbraw/zinc/40/01/58/1338400158.db2.gz OWWFZYZRUNPMDQ-CYBMUJFWSA-N 1 2 343.452 3.088 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC001016032975 1338418163 /nfs/dbraw/zinc/41/81/63/1338418163.db2.gz HAAONFLSVZSRQZ-ZVZYQTTQSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC001016032975 1338418164 /nfs/dbraw/zinc/41/81/64/1338418164.db2.gz HAAONFLSVZSRQZ-ZVZYQTTQSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC001016035203 1338419802 /nfs/dbraw/zinc/41/98/02/1338419802.db2.gz RZYNFUNRCYNRMM-GPMSIDNRSA-N 1 2 325.456 3.075 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC001016035203 1338419806 /nfs/dbraw/zinc/41/98/06/1338419806.db2.gz RZYNFUNRCYNRMM-GPMSIDNRSA-N 1 2 325.456 3.075 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC001016124267 1338468796 /nfs/dbraw/zinc/46/87/96/1338468796.db2.gz UDDPPFVQYVPUIF-AWEZNQCLSA-N 1 2 345.349 3.093 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC001016124267 1338468798 /nfs/dbraw/zinc/46/87/98/1338468798.db2.gz UDDPPFVQYVPUIF-AWEZNQCLSA-N 1 2 345.349 3.093 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)sc1C ZINC001016210896 1338509863 /nfs/dbraw/zinc/50/98/63/1338509863.db2.gz JXKFJEYTPSAARZ-KRWDZBQOSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)sc1C ZINC001016210896 1338509867 /nfs/dbraw/zinc/50/98/67/1338509867.db2.gz JXKFJEYTPSAARZ-KRWDZBQOSA-N 1 2 339.464 3.241 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC001016299675 1338539472 /nfs/dbraw/zinc/53/94/72/1338539472.db2.gz BMKRUPKZEFUOBD-FPMFFAJLSA-N 1 2 340.801 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC001016299675 1338539474 /nfs/dbraw/zinc/53/94/74/1338539474.db2.gz BMKRUPKZEFUOBD-FPMFFAJLSA-N 1 2 340.801 3.011 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c3c2cccc3CC)C1 ZINC001016341871 1338557067 /nfs/dbraw/zinc/55/70/67/1338557067.db2.gz ULKUDCUZXRREPU-AWEZNQCLSA-N 1 2 331.847 3.287 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c3c2cccc3CC)C1 ZINC001016341871 1338557071 /nfs/dbraw/zinc/55/70/71/1338557071.db2.gz ULKUDCUZXRREPU-AWEZNQCLSA-N 1 2 331.847 3.287 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CC(c3cccc(F)c3)C2)C1 ZINC001016413543 1338594408 /nfs/dbraw/zinc/59/44/08/1338594408.db2.gz CZYKVEVMFYZODO-VMBOVVBDSA-N 1 2 336.838 3.262 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CC(c3cccc(F)c3)C2)C1 ZINC001016413543 1338594411 /nfs/dbraw/zinc/59/44/11/1338594411.db2.gz CZYKVEVMFYZODO-VMBOVVBDSA-N 1 2 336.838 3.262 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(O[C@@H](C)CC)cc1 ZINC001018150123 1339515644 /nfs/dbraw/zinc/51/56/44/1339515644.db2.gz OGCNBJWYKCYGOE-YTQUADARSA-N 1 2 340.467 3.176 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(O[C@@H](C)CC)cc1 ZINC001018150123 1339515646 /nfs/dbraw/zinc/51/56/46/1339515646.db2.gz OGCNBJWYKCYGOE-YTQUADARSA-N 1 2 340.467 3.176 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1oc2ccccc2c1CC ZINC001018328948 1339579294 /nfs/dbraw/zinc/57/92/94/1339579294.db2.gz HCMBAPJLLHRWFE-IYBDPMFKSA-N 1 2 336.435 3.307 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1oc2ccccc2c1CC ZINC001018328948 1339579296 /nfs/dbraw/zinc/57/92/96/1339579296.db2.gz HCMBAPJLLHRWFE-IYBDPMFKSA-N 1 2 336.435 3.307 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001028121954 1340441643 /nfs/dbraw/zinc/44/16/43/1340441643.db2.gz BQIAWAXEDLQMNC-KBPBESRZSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001028121954 1340441644 /nfs/dbraw/zinc/44/16/44/1340441644.db2.gz BQIAWAXEDLQMNC-KBPBESRZSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1c(F)cccc1Cl ZINC001028281554 1340535696 /nfs/dbraw/zinc/53/56/96/1340535696.db2.gz LJWAGXHVIUVOMU-NSHDSACASA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1c(F)cccc1Cl ZINC001028281554 1340535699 /nfs/dbraw/zinc/53/56/99/1340535699.db2.gz LJWAGXHVIUVOMU-NSHDSACASA-N 1 2 331.218 3.426 20 30 EGEDLO O=C(c1ccccc1F)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029193599 1340952247 /nfs/dbraw/zinc/95/22/47/1340952247.db2.gz XYCWSPRTUZRHMU-KDURUIRLSA-N 1 2 348.421 3.166 20 30 EGEDLO O=C(c1ccccc1F)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029193599 1340952249 /nfs/dbraw/zinc/95/22/49/1340952249.db2.gz XYCWSPRTUZRHMU-KDURUIRLSA-N 1 2 348.421 3.166 20 30 EGEDLO Cc1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2C#N)c1 ZINC001029201479 1340953695 /nfs/dbraw/zinc/95/36/95/1340953695.db2.gz MCUKMPSQOIFEHK-OYRHEFFESA-N 1 2 345.446 3.356 20 30 EGEDLO Cc1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2C#N)c1 ZINC001029201479 1340953696 /nfs/dbraw/zinc/95/36/96/1340953696.db2.gz MCUKMPSQOIFEHK-OYRHEFFESA-N 1 2 345.446 3.356 20 30 EGEDLO C/C(=C/C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1)C1CC1 ZINC001029231599 1340958846 /nfs/dbraw/zinc/95/88/46/1340958846.db2.gz FBVWBLQDHUROFM-MGZMWYTRSA-N 1 2 334.463 3.070 20 30 EGEDLO C/C(=C/C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1)C1CC1 ZINC001029231599 1340958847 /nfs/dbraw/zinc/95/88/47/1340958847.db2.gz FBVWBLQDHUROFM-MGZMWYTRSA-N 1 2 334.463 3.070 20 30 EGEDLO O=C([C@H]1CCCC12CC2)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029358236 1340976929 /nfs/dbraw/zinc/97/69/29/1340976929.db2.gz LZCYOXCWHVYHNL-QHAWAJNXSA-N 1 2 348.490 3.294 20 30 EGEDLO O=C([C@H]1CCCC12CC2)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029358236 1340976930 /nfs/dbraw/zinc/97/69/30/1340976930.db2.gz LZCYOXCWHVYHNL-QHAWAJNXSA-N 1 2 348.490 3.294 20 30 EGEDLO O=C(C[C@@H]1C[C@H]1C1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029400882 1340983862 /nfs/dbraw/zinc/98/38/62/1340983862.db2.gz PMSLLLPKVUKDGY-KJJMTIBFSA-N 1 2 348.490 3.150 20 30 EGEDLO O=C(C[C@@H]1C[C@H]1C1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029400882 1340983864 /nfs/dbraw/zinc/98/38/64/1340983864.db2.gz PMSLLLPKVUKDGY-KJJMTIBFSA-N 1 2 348.490 3.150 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001029422453 1340986594 /nfs/dbraw/zinc/98/65/94/1340986594.db2.gz CACDAVMZZJPVRY-CALCHBBNSA-N 1 2 341.430 3.085 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001029422453 1340986595 /nfs/dbraw/zinc/98/65/95/1340986595.db2.gz CACDAVMZZJPVRY-CALCHBBNSA-N 1 2 341.430 3.085 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029422957 1340986712 /nfs/dbraw/zinc/98/67/12/1340986712.db2.gz LPIJSOCWVQJJGE-OKILXGFUSA-N 1 2 329.469 3.007 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029422957 1340986713 /nfs/dbraw/zinc/98/67/13/1340986713.db2.gz LPIJSOCWVQJJGE-OKILXGFUSA-N 1 2 329.469 3.007 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029453159 1340993452 /nfs/dbraw/zinc/99/34/52/1340993452.db2.gz LRLKFUOZHAHNPE-VWPQPMDRSA-N 1 2 336.479 3.316 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029453159 1340993453 /nfs/dbraw/zinc/99/34/53/1340993453.db2.gz LRLKFUOZHAHNPE-VWPQPMDRSA-N 1 2 336.479 3.316 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C2CC2)no1 ZINC001029456804 1340994404 /nfs/dbraw/zinc/99/44/04/1340994404.db2.gz QLSHWPDPUAPKGC-GQIGUUNPSA-N 1 2 343.471 3.330 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C2CC2)no1 ZINC001029456804 1340994406 /nfs/dbraw/zinc/99/44/06/1340994406.db2.gz QLSHWPDPUAPKGC-GQIGUUNPSA-N 1 2 343.471 3.330 20 30 EGEDLO O=C([C@@H]1CC12CCCC2)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029540713 1341008914 /nfs/dbraw/zinc/00/89/14/1341008914.db2.gz PSMVDOQZQWSZFR-HBMCJLEFSA-N 1 2 348.490 3.294 20 30 EGEDLO O=C([C@@H]1CC12CCCC2)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029540713 1341008915 /nfs/dbraw/zinc/00/89/15/1341008915.db2.gz PSMVDOQZQWSZFR-HBMCJLEFSA-N 1 2 348.490 3.294 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC(C[N@@H+](C)[C@@H](C)c3csnn3)CC2)C1 ZINC001029993938 1341150396 /nfs/dbraw/zinc/15/03/96/1341150396.db2.gz SZELLAWYQHXTJJ-AWEZNQCLSA-N 1 2 348.516 3.126 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC(C[N@H+](C)[C@@H](C)c3csnn3)CC2)C1 ZINC001029993938 1341150397 /nfs/dbraw/zinc/15/03/97/1341150397.db2.gz SZELLAWYQHXTJJ-AWEZNQCLSA-N 1 2 348.516 3.126 20 30 EGEDLO C=C1CCC(C(=O)NC2C[NH+](CC[C@@H]3CC3(Cl)Cl)C2)CC1 ZINC001030903574 1341246767 /nfs/dbraw/zinc/24/67/67/1341246767.db2.gz LSFKSOMSBDGHNA-CYBMUJFWSA-N 1 2 331.287 3.117 20 30 EGEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@H]2CCC=CCCC2)C1 ZINC001031763187 1341398506 /nfs/dbraw/zinc/39/85/06/1341398506.db2.gz LWZVNRBTXURXQK-SFHVURJKSA-N 1 2 337.467 3.243 20 30 EGEDLO Cc1c(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)ccn1C(C)C ZINC001031918138 1341421940 /nfs/dbraw/zinc/42/19/40/1341421940.db2.gz YDSXBNKXCGBREM-UHFFFAOYSA-N 1 2 349.478 3.091 20 30 EGEDLO C[C@H]1CCC[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)C1 ZINC001031938765 1341426653 /nfs/dbraw/zinc/42/66/53/1341426653.db2.gz NNUVXYZENHCVOV-YOEHRIQHSA-N 1 2 343.446 3.072 20 30 EGEDLO C[C@H]1CC[C@H](C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)CC1 ZINC001032140930 1341461564 /nfs/dbraw/zinc/46/15/64/1341461564.db2.gz DEIUASJDWIZJAV-RUCARUNLSA-N 1 2 342.458 3.052 20 30 EGEDLO Cc1cc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)sc1C ZINC001032173677 1341468034 /nfs/dbraw/zinc/46/80/34/1341468034.db2.gz MRJWXVXHPAESEZ-UHFFFAOYSA-N 1 2 338.476 3.078 20 30 EGEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C=C2CCCCC2)s1 ZINC001032305208 1341492931 /nfs/dbraw/zinc/49/29/31/1341492931.db2.gz OGVXXSMPHFVGMJ-HOTGVXAUSA-N 1 2 341.480 3.295 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C=C2CCCCC2)s1 ZINC001032305208 1341492932 /nfs/dbraw/zinc/49/29/32/1341492932.db2.gz OGVXXSMPHFVGMJ-HOTGVXAUSA-N 1 2 341.480 3.295 20 30 EGEDLO Cc1cscc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032338143 1341498501 /nfs/dbraw/zinc/49/85/01/1341498501.db2.gz NVANJQMHMJZKGZ-IRXDYDNUSA-N 1 2 337.448 3.027 20 30 EGEDLO Cc1cscc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032338143 1341498502 /nfs/dbraw/zinc/49/85/02/1341498502.db2.gz NVANJQMHMJZKGZ-IRXDYDNUSA-N 1 2 337.448 3.027 20 30 EGEDLO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@H+]2C/C=C/c1ccc(Cl)cc1 ZINC001032397257 1341506708 /nfs/dbraw/zinc/50/67/08/1341506708.db2.gz QQXORGWOKZTONK-WNJMFGOSSA-N 1 2 340.854 3.052 20 30 EGEDLO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@@H+]2C/C=C/c1ccc(Cl)cc1 ZINC001032397257 1341506710 /nfs/dbraw/zinc/50/67/10/1341506710.db2.gz QQXORGWOKZTONK-WNJMFGOSSA-N 1 2 340.854 3.052 20 30 EGEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2C=CCCC2)s1 ZINC001032470872 1341516079 /nfs/dbraw/zinc/51/60/79/1341516079.db2.gz ILNWWVZBPAQSKJ-JYJNAYRXSA-N 1 2 341.480 3.151 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2C=CCCC2)s1 ZINC001032470872 1341516081 /nfs/dbraw/zinc/51/60/81/1341516081.db2.gz ILNWWVZBPAQSKJ-JYJNAYRXSA-N 1 2 341.480 3.151 20 30 EGEDLO CC(C)c1ccoc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032584369 1341549242 /nfs/dbraw/zinc/54/92/42/1341549242.db2.gz WKUUIMSHYMWVIO-ROUUACIJSA-N 1 2 349.434 3.374 20 30 EGEDLO CC(C)c1ccoc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032584369 1341549244 /nfs/dbraw/zinc/54/92/44/1341549244.db2.gz WKUUIMSHYMWVIO-ROUUACIJSA-N 1 2 349.434 3.374 20 30 EGEDLO C[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1)c1ccccc1 ZINC001032739920 1341597010 /nfs/dbraw/zinc/59/70/10/1341597010.db2.gz QJOPVPBCZVMNTR-CZAAIQMYSA-N 1 2 345.446 3.147 20 30 EGEDLO C[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1)c1ccccc1 ZINC001032739920 1341597011 /nfs/dbraw/zinc/59/70/11/1341597011.db2.gz QJOPVPBCZVMNTR-CZAAIQMYSA-N 1 2 345.446 3.147 20 30 EGEDLO CN(C(=O)[C@@H]1CC=CCC1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032900974 1341657324 /nfs/dbraw/zinc/65/73/24/1341657324.db2.gz MHWMEZZIRNNGFG-DNVCBOLYSA-N 1 2 341.430 3.086 20 30 EGEDLO CN(C(=O)[C@@H]1CC=CCC1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032900974 1341657327 /nfs/dbraw/zinc/65/73/27/1341657327.db2.gz MHWMEZZIRNNGFG-DNVCBOLYSA-N 1 2 341.430 3.086 20 30 EGEDLO CN(C(=O)C1CC=CC1)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001032978549 1341683303 /nfs/dbraw/zinc/68/33/03/1341683303.db2.gz WTHQDBLXPWWDNA-GOSISDBHSA-N 1 2 342.870 3.190 20 30 EGEDLO CN(C(=O)C1CC=CC1)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001032978549 1341683304 /nfs/dbraw/zinc/68/33/04/1341683304.db2.gz WTHQDBLXPWWDNA-GOSISDBHSA-N 1 2 342.870 3.190 20 30 EGEDLO CC1CC(C(=O)N(C)[C@@H]2CC[N@H+](CC#Cc3ccccc3Cl)C2)C1 ZINC001032989418 1341688034 /nfs/dbraw/zinc/68/80/34/1341688034.db2.gz GHVQXBZYOFQKIU-VMWRSERWSA-N 1 2 344.886 3.270 20 30 EGEDLO CC1CC(C(=O)N(C)[C@@H]2CC[N@@H+](CC#Cc3ccccc3Cl)C2)C1 ZINC001032989418 1341688037 /nfs/dbraw/zinc/68/80/37/1341688037.db2.gz GHVQXBZYOFQKIU-VMWRSERWSA-N 1 2 344.886 3.270 20 30 EGEDLO CC(C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1)=C1CCC1 ZINC001033065168 1341713272 /nfs/dbraw/zinc/71/32/72/1341713272.db2.gz DLHKZVBKLLSMMG-LJQANCHMSA-N 1 2 341.430 3.230 20 30 EGEDLO CC(C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1)=C1CCC1 ZINC001033065168 1341713273 /nfs/dbraw/zinc/71/32/73/1341713273.db2.gz DLHKZVBKLLSMMG-LJQANCHMSA-N 1 2 341.430 3.230 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(OCCC)c2)C1 ZINC001033120837 1341732070 /nfs/dbraw/zinc/73/20/70/1341732070.db2.gz YMKYTWSYRZTESY-MRXNPFEDSA-N 1 2 336.863 3.374 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(OCCC)c2)C1 ZINC001033120837 1341732072 /nfs/dbraw/zinc/73/20/72/1341732072.db2.gz YMKYTWSYRZTESY-MRXNPFEDSA-N 1 2 336.863 3.374 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2([C@@H]3CCCCO3)CCC2)C1 ZINC001033259272 1341761222 /nfs/dbraw/zinc/76/12/22/1341761222.db2.gz KPWXNSXEXYGHIM-CVEARBPZSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2([C@@H]3CCCCO3)CCC2)C1 ZINC001033259272 1341761224 /nfs/dbraw/zinc/76/12/24/1341761224.db2.gz KPWXNSXEXYGHIM-CVEARBPZSA-N 1 2 340.895 3.011 20 30 EGEDLO CN(C(=O)c1ccoc1C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033364757 1341797213 /nfs/dbraw/zinc/79/72/13/1341797213.db2.gz XMCADFADMQQIFI-GOSISDBHSA-N 1 2 349.434 3.375 20 30 EGEDLO CN(C(=O)c1ccoc1C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033364757 1341797215 /nfs/dbraw/zinc/79/72/15/1341797215.db2.gz XMCADFADMQQIFI-GOSISDBHSA-N 1 2 349.434 3.375 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)cc(OC)c2)C1 ZINC001033518938 1341856249 /nfs/dbraw/zinc/85/62/49/1341856249.db2.gz JHRVOCKVNCUVJZ-CQSZACIVSA-N 1 2 343.254 3.247 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)cc(OC)c2)C1 ZINC001033518938 1341856251 /nfs/dbraw/zinc/85/62/51/1341856251.db2.gz JHRVOCKVNCUVJZ-CQSZACIVSA-N 1 2 343.254 3.247 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(N3CCCC3)c2)C1 ZINC001033526425 1341858976 /nfs/dbraw/zinc/85/89/76/1341858976.db2.gz XREUCNVMAXNMEM-GOSISDBHSA-N 1 2 347.890 3.186 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(N3CCCC3)c2)C1 ZINC001033526425 1341858977 /nfs/dbraw/zinc/85/89/77/1341858977.db2.gz XREUCNVMAXNMEM-GOSISDBHSA-N 1 2 347.890 3.186 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3cnccc3c2)C1 ZINC001033563369 1341874064 /nfs/dbraw/zinc/87/40/64/1341874064.db2.gz UKNVTFQNPCDNGL-KRWDZBQOSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3cnccc3c2)C1 ZINC001033563369 1341874065 /nfs/dbraw/zinc/87/40/65/1341874065.db2.gz UKNVTFQNPCDNGL-KRWDZBQOSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001033628796 1341910199 /nfs/dbraw/zinc/91/01/99/1341910199.db2.gz LZSXVDLAYCTPNH-GDBMZVCRSA-N 1 2 339.266 3.265 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001033628796 1341910200 /nfs/dbraw/zinc/91/02/00/1341910200.db2.gz LZSXVDLAYCTPNH-GDBMZVCRSA-N 1 2 339.266 3.265 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C2CCC=CCC2)C1 ZINC001033674466 1341940646 /nfs/dbraw/zinc/94/06/46/1341940646.db2.gz MIMSPGUFDSSSBC-HNNXBMFYSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C2CCC=CCC2)C1 ZINC001033674466 1341940647 /nfs/dbraw/zinc/94/06/47/1341940647.db2.gz MIMSPGUFDSSSBC-HNNXBMFYSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@]2(C)CCc3ccccc32)C1 ZINC001033700040 1341966835 /nfs/dbraw/zinc/96/68/35/1341966835.db2.gz SVOJCLHBEIBRJZ-VQIMIIECSA-N 1 2 332.875 3.176 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(C)CCc3ccccc32)C1 ZINC001033700040 1341966836 /nfs/dbraw/zinc/96/68/36/1341966836.db2.gz SVOJCLHBEIBRJZ-VQIMIIECSA-N 1 2 332.875 3.176 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@H+](Cc3coc(C)n3)C2)CC1 ZINC001033946739 1342107652 /nfs/dbraw/zinc/10/76/52/1342107652.db2.gz WRTNVRIPEMFLLL-SFHVURJKSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](Cc3coc(C)n3)C2)CC1 ZINC001033946739 1342107653 /nfs/dbraw/zinc/10/76/53/1342107653.db2.gz WRTNVRIPEMFLLL-SFHVURJKSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccncc2Cl)C1 ZINC001033964405 1342116395 /nfs/dbraw/zinc/11/63/95/1342116395.db2.gz JQEGYGDQLMOWLG-GFCCVEGCSA-N 1 2 328.243 3.024 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccncc2Cl)C1 ZINC001033964405 1342116393 /nfs/dbraw/zinc/11/63/93/1342116393.db2.gz JQEGYGDQLMOWLG-GFCCVEGCSA-N 1 2 328.243 3.024 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3coc4ccc(F)cc43)[C@@H]2C1 ZINC001076508073 1356599455 /nfs/dbraw/zinc/59/94/55/1356599455.db2.gz IVYQHXUDMXTOAJ-BLLLJJGKSA-N 1 2 348.805 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3coc4ccc(F)cc43)[C@@H]2C1 ZINC001076508073 1356599458 /nfs/dbraw/zinc/59/94/58/1356599458.db2.gz IVYQHXUDMXTOAJ-BLLLJJGKSA-N 1 2 348.805 3.471 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2conc2C(C)C)C1 ZINC001034242528 1342342056 /nfs/dbraw/zinc/34/20/56/1342342056.db2.gz YPFFXXBIGQNUDN-CYBMUJFWSA-N 1 2 325.840 3.135 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2conc2C(C)C)C1 ZINC001034242528 1342342060 /nfs/dbraw/zinc/34/20/60/1342342060.db2.gz YPFFXXBIGQNUDN-CYBMUJFWSA-N 1 2 325.840 3.135 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001034247502 1342345352 /nfs/dbraw/zinc/34/53/52/1342345352.db2.gz OLPDKWAKQTZNDV-CYBMUJFWSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001034247502 1342345354 /nfs/dbraw/zinc/34/53/54/1342345354.db2.gz OLPDKWAKQTZNDV-CYBMUJFWSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001034295136 1342378449 /nfs/dbraw/zinc/37/84/49/1342378449.db2.gz FDQGWVZPDIFQAJ-CQSZACIVSA-N 1 2 333.819 3.165 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001034295136 1342378453 /nfs/dbraw/zinc/37/84/53/1342378453.db2.gz FDQGWVZPDIFQAJ-CQSZACIVSA-N 1 2 333.819 3.165 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@@H+](Cc3ncc(C)o3)C2)CC1 ZINC001034375803 1342445777 /nfs/dbraw/zinc/44/57/77/1342445777.db2.gz GIQHSNHKLHRFHU-QGZVFWFLSA-N 1 2 331.460 3.200 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@H+](Cc3ncc(C)o3)C2)CC1 ZINC001034375803 1342445780 /nfs/dbraw/zinc/44/57/80/1342445780.db2.gz GIQHSNHKLHRFHU-QGZVFWFLSA-N 1 2 331.460 3.200 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@@H+](Cc3ncc(C)cn3)C2)CC1 ZINC001034383414 1342451003 /nfs/dbraw/zinc/45/10/03/1342451003.db2.gz XLLFMKHBEKYZFE-SFHVURJKSA-N 1 2 342.487 3.002 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@H+](Cc3ncc(C)cn3)C2)CC1 ZINC001034383414 1342451004 /nfs/dbraw/zinc/45/10/04/1342451004.db2.gz XLLFMKHBEKYZFE-SFHVURJKSA-N 1 2 342.487 3.002 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@@H+]([C@@H](C)c3nnc(CC)o3)C2)C1 ZINC001034389576 1342458943 /nfs/dbraw/zinc/45/89/43/1342458943.db2.gz RTWPRXSOMFWHSJ-LSDHHAIUSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@H+]([C@@H](C)c3nnc(CC)o3)C2)C1 ZINC001034389576 1342458945 /nfs/dbraw/zinc/45/89/45/1342458945.db2.gz RTWPRXSOMFWHSJ-LSDHHAIUSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@H+](Cc3ncc(C4CC4)o3)C2)C1 ZINC001034390310 1342459199 /nfs/dbraw/zinc/45/91/99/1342459199.db2.gz YSWQAFVLEXQOCC-MRXNPFEDSA-N 1 2 343.471 3.379 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@@H+](Cc3ncc(C4CC4)o3)C2)C1 ZINC001034390310 1342459202 /nfs/dbraw/zinc/45/92/02/1342459202.db2.gz YSWQAFVLEXQOCC-MRXNPFEDSA-N 1 2 343.471 3.379 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(F)c(OC)c2)C1 ZINC001034408011 1342470313 /nfs/dbraw/zinc/47/03/13/1342470313.db2.gz GDMYGKVPWPGYCF-CQSZACIVSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(F)c(OC)c2)C1 ZINC001034408011 1342470316 /nfs/dbraw/zinc/47/03/16/1342470316.db2.gz GDMYGKVPWPGYCF-CQSZACIVSA-N 1 2 340.826 3.171 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC001034466879 1342521304 /nfs/dbraw/zinc/52/13/04/1342521304.db2.gz IOCYOGJFDKPPOF-OAHLLOKOSA-N 1 2 346.862 3.208 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC001034466879 1342521307 /nfs/dbraw/zinc/52/13/07/1342521307.db2.gz IOCYOGJFDKPPOF-OAHLLOKOSA-N 1 2 346.862 3.208 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2coc(C3CCC3)n2)C1 ZINC001034481711 1342538359 /nfs/dbraw/zinc/53/83/59/1342538359.db2.gz VLNYNHIKRQEJHY-CQSZACIVSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2coc(C3CCC3)n2)C1 ZINC001034481711 1342538366 /nfs/dbraw/zinc/53/83/66/1342538366.db2.gz VLNYNHIKRQEJHY-CQSZACIVSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2Cc3c(cccc3C)O2)C1 ZINC001034487611 1342545904 /nfs/dbraw/zinc/54/59/04/1342545904.db2.gz PJLLGAVGTQSDEJ-MAUKXSAKSA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2Cc3c(cccc3C)O2)C1 ZINC001034487611 1342545910 /nfs/dbraw/zinc/54/59/10/1342545910.db2.gz PJLLGAVGTQSDEJ-MAUKXSAKSA-N 1 2 348.874 3.022 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C2CCCC2)no1 ZINC001035013402 1342876044 /nfs/dbraw/zinc/87/60/44/1342876044.db2.gz BKDDAQBQHMCLRD-OAHLLOKOSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2oc3ccccc3c2Cl)C1 ZINC001035576872 1343092695 /nfs/dbraw/zinc/09/26/95/1343092695.db2.gz IZZOPZWDTPBYHY-ZDUSSCGKSA-N 1 2 348.830 3.093 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2oc3ccccc3c2Cl)C1 ZINC001035576872 1343092700 /nfs/dbraw/zinc/09/27/00/1343092700.db2.gz IZZOPZWDTPBYHY-ZDUSSCGKSA-N 1 2 348.830 3.093 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC2(C[NH+](Cc3ncc(C)s3)C2)CC1 ZINC001035781834 1343192513 /nfs/dbraw/zinc/19/25/13/1343192513.db2.gz AKFIRRRRKCBJDA-GOSISDBHSA-N 1 2 347.528 3.478 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC2(C[NH+](Cc3ccc(F)cn3)C2)CC1 ZINC001035782999 1343193345 /nfs/dbraw/zinc/19/33/45/1343193345.db2.gz YBOHVICEYCOVRL-LJQANCHMSA-N 1 2 345.462 3.247 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[C@@H]1C1CCCC1)CC2 ZINC001035825802 1343215913 /nfs/dbraw/zinc/21/59/13/1343215913.db2.gz AYZZPNGIBPKGRE-SJORKVTESA-N 1 2 336.907 3.490 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1nc(C3CC3)oc1C)CC2 ZINC001035831126 1343219533 /nfs/dbraw/zinc/21/95/33/1343219533.db2.gz XLPXIELBPQWMTF-UHFFFAOYSA-N 1 2 349.862 3.151 20 30 EGEDLO C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038164538 1344306659 /nfs/dbraw/zinc/30/66/59/1344306659.db2.gz UQIBVDYMOPMFJV-TZMCWYRMSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038164538 1344306661 /nfs/dbraw/zinc/30/66/61/1344306661.db2.gz UQIBVDYMOPMFJV-TZMCWYRMSA-N 1 2 342.830 3.105 20 30 EGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(Cl)cc1 ZINC001038265436 1344347856 /nfs/dbraw/zinc/34/78/56/1344347856.db2.gz FFIPMRPCEXHYBL-KSZLIROESA-N 1 2 348.874 3.012 20 30 EGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001038265436 1344347859 /nfs/dbraw/zinc/34/78/59/1344347859.db2.gz FFIPMRPCEXHYBL-KSZLIROESA-N 1 2 348.874 3.012 20 30 EGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(Cl)c1 ZINC001038266884 1344349207 /nfs/dbraw/zinc/34/92/07/1344349207.db2.gz NXUUGCHOQNRUPK-KURKYZTESA-N 1 2 348.874 3.012 20 30 EGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(Cl)c1 ZINC001038266884 1344349209 /nfs/dbraw/zinc/34/92/09/1344349209.db2.gz NXUUGCHOQNRUPK-KURKYZTESA-N 1 2 348.874 3.012 20 30 EGEDLO CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001038269288 1344350204 /nfs/dbraw/zinc/35/02/04/1344350204.db2.gz OKFPRRKOGHVTGA-XUVXKRRUSA-N 1 2 338.495 3.301 20 30 EGEDLO CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001038269288 1344350209 /nfs/dbraw/zinc/35/02/09/1344350209.db2.gz OKFPRRKOGHVTGA-XUVXKRRUSA-N 1 2 338.495 3.301 20 30 EGEDLO Cc1cc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)c(C)s1 ZINC001038478668 1344443005 /nfs/dbraw/zinc/44/30/05/1344443005.db2.gz LUFSOFQTHHNFAR-QGZVFWFLSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1cc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)c(C)s1 ZINC001038478668 1344443008 /nfs/dbraw/zinc/44/30/08/1344443008.db2.gz LUFSOFQTHHNFAR-QGZVFWFLSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1ccc(F)cc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038570703 1344487928 /nfs/dbraw/zinc/48/79/28/1344487928.db2.gz FNKIZQYTJRNJAK-SFHVURJKSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1ccc(F)cc1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038570703 1344487929 /nfs/dbraw/zinc/48/79/29/1344487929.db2.gz FNKIZQYTJRNJAK-SFHVURJKSA-N 1 2 337.398 3.010 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(Cl)cc2)cc1 ZINC001038582600 1344493387 /nfs/dbraw/zinc/49/33/87/1344493387.db2.gz QFYFJOFMVHWPRZ-LJQANCHMSA-N 1 2 338.838 3.326 20 30 EGEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(Cl)cc2)cc1 ZINC001038582600 1344493393 /nfs/dbraw/zinc/49/33/93/1344493393.db2.gz QFYFJOFMVHWPRZ-LJQANCHMSA-N 1 2 338.838 3.326 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2csc(Cl)c2)c1 ZINC001038778150 1344581091 /nfs/dbraw/zinc/58/10/91/1344581091.db2.gz VTCLTBXQAXFYHV-HNNXBMFYSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2csc(Cl)c2)c1 ZINC001038778150 1344581095 /nfs/dbraw/zinc/58/10/95/1344581095.db2.gz VTCLTBXQAXFYHV-HNNXBMFYSA-N 1 2 345.855 3.277 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC(C)C1 ZINC001039355296 1345026303 /nfs/dbraw/zinc/02/63/03/1345026303.db2.gz JOIISZANHIMVKT-AXVKAWJUSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC(C)C1 ZINC001039355296 1345026307 /nfs/dbraw/zinc/02/63/07/1345026307.db2.gz JOIISZANHIMVKT-AXVKAWJUSA-N 1 2 341.293 3.006 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1OC ZINC001039466882 1345084960 /nfs/dbraw/zinc/08/49/60/1345084960.db2.gz KJIZMXMJNZPPQE-SJORKVTESA-N 1 2 348.874 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1OC ZINC001039466882 1345084964 /nfs/dbraw/zinc/08/49/64/1345084964.db2.gz KJIZMXMJNZPPQE-SJORKVTESA-N 1 2 348.874 3.056 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1N(C)C ZINC001039477201 1345091907 /nfs/dbraw/zinc/09/19/07/1345091907.db2.gz NICNUXBSEGYDSL-CVEARBPZSA-N 1 2 347.890 3.184 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1N(C)C ZINC001039477201 1345091908 /nfs/dbraw/zinc/09/19/08/1345091908.db2.gz NICNUXBSEGYDSL-CVEARBPZSA-N 1 2 347.890 3.184 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2n(c1)CCCC2 ZINC001039479706 1345094058 /nfs/dbraw/zinc/09/40/58/1345094058.db2.gz KWWBNJWLRBNUMY-AEFFLSMTSA-N 1 2 347.890 3.256 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2n(c1)CCCC2 ZINC001039479706 1345094062 /nfs/dbraw/zinc/09/40/62/1345094062.db2.gz KWWBNJWLRBNUMY-AEFFLSMTSA-N 1 2 347.890 3.256 20 30 EGEDLO Cc1[nH]ccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001039544996 1345138871 /nfs/dbraw/zinc/13/88/71/1345138871.db2.gz UWNSHLKFTURUNN-KDURUIRLSA-N 1 2 348.450 3.074 20 30 EGEDLO Cc1[nH]ccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001039544996 1345138875 /nfs/dbraw/zinc/13/88/75/1345138875.db2.gz UWNSHLKFTURUNN-KDURUIRLSA-N 1 2 348.450 3.074 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](C)[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001039889596 1345231902 /nfs/dbraw/zinc/23/19/02/1345231902.db2.gz DXAJOLQZMBGGHG-ZBFHGGJFSA-N 1 2 330.476 3.284 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4ncccc4o3)C[C@H]21 ZINC001042155574 1345958583 /nfs/dbraw/zinc/95/85/83/1345958583.db2.gz LDYOCVNOGKMWHY-UKRRQHHQSA-N 1 2 345.830 3.117 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc4ncccc4o3)C[C@H]21 ZINC001042155574 1345958584 /nfs/dbraw/zinc/95/85/84/1345958584.db2.gz LDYOCVNOGKMWHY-UKRRQHHQSA-N 1 2 345.830 3.117 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncc(C(C)C)o3)[C@H]2C1 ZINC001042181080 1345969328 /nfs/dbraw/zinc/96/93/28/1345969328.db2.gz CTYOHBHSXMASGK-CVEARBPZSA-N 1 2 345.487 3.433 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncc(C(C)C)o3)[C@H]2C1 ZINC001042181080 1345969331 /nfs/dbraw/zinc/96/93/31/1345969331.db2.gz CTYOHBHSXMASGK-CVEARBPZSA-N 1 2 345.487 3.433 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cnoc3C(C)C)C[C@@H]21 ZINC001042296653 1346020906 /nfs/dbraw/zinc/02/09/06/1346020906.db2.gz DITKDTSWBBITLX-HIFRSBDPSA-N 1 2 337.851 3.087 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnoc3C(C)C)C[C@@H]21 ZINC001042296653 1346020909 /nfs/dbraw/zinc/02/09/09/1346020909.db2.gz DITKDTSWBBITLX-HIFRSBDPSA-N 1 2 337.851 3.087 20 30 EGEDLO C=C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001043214943 1346153389 /nfs/dbraw/zinc/15/33/89/1346153389.db2.gz XNKTZNMEANDKHW-FHLIZLRMSA-N 1 2 336.439 3.014 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001079551846 1357300499 /nfs/dbraw/zinc/30/04/99/1357300499.db2.gz AMXBVZVRTOTMEJ-IAQYHMDHSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001079551846 1357300503 /nfs/dbraw/zinc/30/05/03/1357300503.db2.gz AMXBVZVRTOTMEJ-IAQYHMDHSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)c2ccsc2)CC1 ZINC001045358597 1346572665 /nfs/dbraw/zinc/57/26/65/1346572665.db2.gz ZEIQMGZENNWSJR-UHFFFAOYSA-N 1 2 343.290 3.241 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2C(C)C)CC1 ZINC001045604021 1346642350 /nfs/dbraw/zinc/64/23/50/1346642350.db2.gz MZBKLZUNNCJJIE-UONOGXRCSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1nc(C)no1 ZINC001045826167 1346709937 /nfs/dbraw/zinc/70/99/37/1346709937.db2.gz RWHDKERKLAIRTG-IMJJTQAJSA-N 1 2 346.475 3.107 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1nc(C)no1 ZINC001045826167 1346709939 /nfs/dbraw/zinc/70/99/39/1346709939.db2.gz RWHDKERKLAIRTG-IMJJTQAJSA-N 1 2 346.475 3.107 20 30 EGEDLO C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C(F)C(F)(F)F)C2 ZINC001045939705 1346775476 /nfs/dbraw/zinc/77/54/76/1346775476.db2.gz GQXYLCFELBHNAA-ZFWWWQNUSA-N 1 2 336.373 3.168 20 30 EGEDLO C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(F)C(F)(F)F)C2 ZINC001045939705 1346775479 /nfs/dbraw/zinc/77/54/79/1346775479.db2.gz GQXYLCFELBHNAA-ZFWWWQNUSA-N 1 2 336.373 3.168 20 30 EGEDLO C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](F)C(F)(F)F)C2 ZINC001045939705 1346775481 /nfs/dbraw/zinc/77/54/81/1346775481.db2.gz GQXYLCFELBHNAA-ZFWWWQNUSA-N 1 2 336.373 3.168 20 30 EGEDLO C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](F)C(F)(F)F)C2 ZINC001045939705 1346775482 /nfs/dbraw/zinc/77/54/82/1346775482.db2.gz GQXYLCFELBHNAA-ZFWWWQNUSA-N 1 2 336.373 3.168 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3cc(OC)ccc32)C1 ZINC001046362679 1346950337 /nfs/dbraw/zinc/95/03/37/1346950337.db2.gz UFROFCUSXBRYFQ-IEBWSBKVSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3cc(OC)ccc32)C1 ZINC001046362679 1346950338 /nfs/dbraw/zinc/95/03/38/1346950338.db2.gz UFROFCUSXBRYFQ-IEBWSBKVSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2oc(C(F)F)cc2C)C1 ZINC001046384550 1346958330 /nfs/dbraw/zinc/95/83/30/1346958330.db2.gz FREGLKYBQSLPHZ-HNNXBMFYSA-N 1 2 332.778 3.472 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2oc(C(F)F)cc2C)C1 ZINC001046384550 1346958332 /nfs/dbraw/zinc/95/83/32/1346958332.db2.gz FREGLKYBQSLPHZ-HNNXBMFYSA-N 1 2 332.778 3.472 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc3nc(C)oc3c2)C1 ZINC001046394206 1346960146 /nfs/dbraw/zinc/96/01/46/1346960146.db2.gz KYTDKKYJSPLAQT-KRWDZBQOSA-N 1 2 333.819 3.083 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc3nc(C)oc3c2)C1 ZINC001046394206 1346960149 /nfs/dbraw/zinc/96/01/49/1346960149.db2.gz KYTDKKYJSPLAQT-KRWDZBQOSA-N 1 2 333.819 3.083 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnc(-c3ccccc3)o2)C1 ZINC001046403039 1346961939 /nfs/dbraw/zinc/96/19/39/1346961939.db2.gz MZIYBLWZLYSUBQ-SFHVURJKSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnc(-c3ccccc3)o2)C1 ZINC001046403039 1346961940 /nfs/dbraw/zinc/96/19/40/1346961940.db2.gz MZIYBLWZLYSUBQ-SFHVURJKSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001046417068 1346968257 /nfs/dbraw/zinc/96/82/57/1346968257.db2.gz IIEZXOQGFBFSQS-DZGCQCFKSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001046417068 1346968258 /nfs/dbraw/zinc/96/82/58/1346968258.db2.gz IIEZXOQGFBFSQS-DZGCQCFKSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001046491469 1346993047 /nfs/dbraw/zinc/99/30/47/1346993047.db2.gz VJJHQIBSCOUVQZ-SJLPKXTDSA-N 1 2 336.838 3.189 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001046491469 1346993048 /nfs/dbraw/zinc/99/30/48/1346993048.db2.gz VJJHQIBSCOUVQZ-SJLPKXTDSA-N 1 2 336.838 3.189 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N[C@]1(C)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001046633034 1347043690 /nfs/dbraw/zinc/04/36/90/1347043690.db2.gz MFFQHYXELPVCMI-WRWLIDTKSA-N 1 2 344.886 3.318 20 30 EGEDLO CC[C@@H]1C[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001046633034 1347043694 /nfs/dbraw/zinc/04/36/94/1347043694.db2.gz MFFQHYXELPVCMI-WRWLIDTKSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(F)cc2Cl)C1 ZINC001046818436 1347117563 /nfs/dbraw/zinc/11/75/63/1347117563.db2.gz SFEQNIAIKMMZBZ-HNNXBMFYSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(F)cc2Cl)C1 ZINC001046818436 1347117564 /nfs/dbraw/zinc/11/75/64/1347117564.db2.gz SFEQNIAIKMMZBZ-HNNXBMFYSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cccc(C)c2)C1 ZINC001046912836 1347151459 /nfs/dbraw/zinc/15/14/59/1347151459.db2.gz PYTKQANFLRKSOR-HNNXBMFYSA-N 1 2 342.817 3.435 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cccc(C)c2)C1 ZINC001046912836 1347151460 /nfs/dbraw/zinc/15/14/60/1347151460.db2.gz PYTKQANFLRKSOR-HNNXBMFYSA-N 1 2 342.817 3.435 20 30 EGEDLO C#Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2CNc2cc[nH+]c(C)n2)cc1 ZINC001048296029 1347511911 /nfs/dbraw/zinc/51/19/11/1347511911.db2.gz BDDLTQCSLPSOCQ-BEFAXECRSA-N 1 2 348.450 3.119 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1nccs1 ZINC001049632939 1347944799 /nfs/dbraw/zinc/94/47/99/1347944799.db2.gz CTHAQMBRIGCQTA-CABCVRRESA-N 1 2 333.501 3.311 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1nccs1 ZINC001049632939 1347944802 /nfs/dbraw/zinc/94/48/02/1347944802.db2.gz CTHAQMBRIGCQTA-CABCVRRESA-N 1 2 333.501 3.311 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ncc(CC)o1 ZINC001049633935 1347945782 /nfs/dbraw/zinc/94/57/82/1347945782.db2.gz NYHFCANILKURFR-DLBZAZTESA-N 1 2 345.487 3.405 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ncc(CC)o1 ZINC001049633935 1347945786 /nfs/dbraw/zinc/94/57/86/1347945786.db2.gz NYHFCANILKURFR-DLBZAZTESA-N 1 2 345.487 3.405 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(CC)CC1 ZINC001049705855 1347982994 /nfs/dbraw/zinc/98/29/94/1347982994.db2.gz WOMOONBXQOFNIF-UONOGXRCSA-N 1 2 341.293 3.151 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(CC)CC1 ZINC001049705855 1347982995 /nfs/dbraw/zinc/98/29/95/1347982995.db2.gz WOMOONBXQOFNIF-UONOGXRCSA-N 1 2 341.293 3.151 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(CCC)on1 ZINC001049822237 1348039374 /nfs/dbraw/zinc/03/93/74/1348039374.db2.gz LTVSJGIWVYOISX-HZPDHXFCSA-N 1 2 337.851 3.059 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(CCC)on1 ZINC001049822237 1348039378 /nfs/dbraw/zinc/03/93/78/1348039378.db2.gz LTVSJGIWVYOISX-HZPDHXFCSA-N 1 2 337.851 3.059 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1coc(C2CCC2)n1 ZINC001049845726 1348055329 /nfs/dbraw/zinc/05/53/29/1348055329.db2.gz YYNUIKUXYCPLGN-JKSUJKDBSA-N 1 2 349.862 3.374 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1coc(C2CCC2)n1 ZINC001049845726 1348055333 /nfs/dbraw/zinc/05/53/33/1348055333.db2.gz YYNUIKUXYCPLGN-JKSUJKDBSA-N 1 2 349.862 3.374 20 30 EGEDLO Cc1cc(N[C@@H]2CCCCCN(C(=O)[C@@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001049858036 1348065027 /nfs/dbraw/zinc/06/50/27/1348065027.db2.gz MSRCVNFEBLNMSS-XJKSGUPXSA-N 1 2 341.459 3.005 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1nc(C)c(C)s1 ZINC001049898756 1348099124 /nfs/dbraw/zinc/09/91/24/1348099124.db2.gz DFXBFPNBUBBAPR-ZIAGYGMSSA-N 1 2 339.892 3.191 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1nc(C)c(C)s1 ZINC001049898756 1348099125 /nfs/dbraw/zinc/09/91/25/1348099125.db2.gz DFXBFPNBUBBAPR-ZIAGYGMSSA-N 1 2 339.892 3.191 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc4c(o3)CCCC4)[C@@H]2C1 ZINC001050063474 1348170595 /nfs/dbraw/zinc/17/05/95/1348170595.db2.gz ZYGBDSUECUPMQT-JKSUJKDBSA-N 1 2 348.874 3.447 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc4c(o3)CCCC4)[C@@H]2C1 ZINC001050063474 1348170597 /nfs/dbraw/zinc/17/05/97/1348170597.db2.gz ZYGBDSUECUPMQT-JKSUJKDBSA-N 1 2 348.874 3.447 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)C1CCC(C(C)(C)C)CC1 ZINC001051231982 1348406819 /nfs/dbraw/zinc/40/68/19/1348406819.db2.gz KRFVXWYEKKDLKS-ABHNRTSZSA-N 1 2 336.520 3.232 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C1CCC(C(C)(C)C)CC1 ZINC001051231982 1348406820 /nfs/dbraw/zinc/40/68/20/1348406820.db2.gz KRFVXWYEKKDLKS-ABHNRTSZSA-N 1 2 336.520 3.232 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCOC2(C[NH+](Cc3ccccc3C)C2)C1 ZINC001053409059 1349022893 /nfs/dbraw/zinc/02/28/93/1349022893.db2.gz TZHISLDRHZXZTR-HXUWFJFHSA-N 1 2 342.483 3.011 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@@H](C)C1CCCCC1)CCO2 ZINC001053468972 1349038831 /nfs/dbraw/zinc/03/88/31/1349038831.db2.gz FLMYLBBONWHXNS-QGZVFWFLSA-N 1 2 334.504 3.082 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-c3cnco3)cc2)C1 ZINC001079970842 1357442920 /nfs/dbraw/zinc/44/29/20/1357442920.db2.gz QOAUVIAIXNAKIL-MLGOLLRUSA-N 1 2 345.830 3.144 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-c3cnco3)cc2)C1 ZINC001079970842 1357442923 /nfs/dbraw/zinc/44/29/23/1357442923.db2.gz QOAUVIAIXNAKIL-MLGOLLRUSA-N 1 2 345.830 3.144 20 30 EGEDLO C[C@H]1C[C@H]1C(=O)NCc1ccc2c(c1)C[N@@H+](Cc1cccc(C#N)c1)C2 ZINC001054254510 1349249574 /nfs/dbraw/zinc/24/95/74/1349249574.db2.gz YXGRRBHTBOLLQP-YCRPNKLZSA-N 1 2 345.446 3.346 20 30 EGEDLO C[C@H]1C[C@H]1C(=O)NCc1ccc2c(c1)C[N@H+](Cc1cccc(C#N)c1)C2 ZINC001054254510 1349249576 /nfs/dbraw/zinc/24/95/76/1349249576.db2.gz YXGRRBHTBOLLQP-YCRPNKLZSA-N 1 2 345.446 3.346 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cncc4ccccc43)cc2C1 ZINC001054292421 1349298779 /nfs/dbraw/zinc/29/87/79/1349298779.db2.gz FTERKDNNCCJMEF-UHFFFAOYSA-N 1 2 341.414 3.114 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cncc4ccccc43)cc2C1 ZINC001054292421 1349298780 /nfs/dbraw/zinc/29/87/80/1349298780.db2.gz FTERKDNNCCJMEF-UHFFFAOYSA-N 1 2 341.414 3.114 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC(Nc3cc(C)[nH+]c(C4CC4)n3)CC2)C1 ZINC001057422914 1350040859 /nfs/dbraw/zinc/04/08/59/1350040859.db2.gz GRMRMHCBXHRZHY-UHFFFAOYSA-N 1 2 340.471 3.422 20 30 EGEDLO C=C[C@H](C(=O)N1CCC[C@H](Nc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001057654066 1350101505 /nfs/dbraw/zinc/10/15/05/1350101505.db2.gz AGLLTAMXKBWISP-ROUUACIJSA-N 1 2 336.439 3.158 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H](CN(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001062159328 1351468684 /nfs/dbraw/zinc/46/86/84/1351468684.db2.gz VQADFKRFQNUIOP-HNNXBMFYSA-N 1 2 342.487 3.159 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3ccncc3Cl)C[C@H]2C)C1 ZINC001080404663 1357608237 /nfs/dbraw/zinc/60/82/37/1357608237.db2.gz SNRXGMWMTUGISZ-CZUORRHYSA-N 1 2 333.863 3.028 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3ccncc3Cl)C[C@H]2C)C1 ZINC001080404663 1357608241 /nfs/dbraw/zinc/60/82/41/1357608241.db2.gz SNRXGMWMTUGISZ-CZUORRHYSA-N 1 2 333.863 3.028 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[C@@H]2CNc2cc[nH+]c(C)n2)C1 ZINC001064187065 1352513879 /nfs/dbraw/zinc/51/38/79/1352513879.db2.gz WXPXXPHSXYLDOZ-CVEARBPZSA-N 1 2 328.460 3.228 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001065878642 1352906165 /nfs/dbraw/zinc/90/61/65/1352906165.db2.gz GQXFXYAJAYZDBE-RISCZKNCSA-N 1 2 336.867 3.070 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C)c(OCC)c2)C1 ZINC001080547871 1357671542 /nfs/dbraw/zinc/67/15/42/1357671542.db2.gz ZSKAIFTXIQVKFX-CZUORRHYSA-N 1 2 336.863 3.196 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C)c(OCC)c2)C1 ZINC001080547871 1357671558 /nfs/dbraw/zinc/67/15/58/1357671558.db2.gz ZSKAIFTXIQVKFX-CZUORRHYSA-N 1 2 336.863 3.196 20 30 EGEDLO CCC1(Nc2cc(C)[nH+]c(C(C)C)n2)CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001066821264 1353234952 /nfs/dbraw/zinc/23/49/52/1353234952.db2.gz JNRDFBYFKSRTNW-AWEZNQCLSA-N 1 2 343.475 3.251 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C1(F)CCCC1 ZINC001154099886 1380207018 /nfs/dbraw/zinc/20/70/18/1380207018.db2.gz SXZKORYQPNMJPY-GFCCVEGCSA-N 1 2 335.261 3.004 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C1(F)CCCC1 ZINC001154099886 1380207026 /nfs/dbraw/zinc/20/70/26/1380207026.db2.gz SXZKORYQPNMJPY-GFCCVEGCSA-N 1 2 335.261 3.004 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(c3nc(C)[nH+]c(C)c3C)CC2(C)C)C1 ZINC001068134030 1353653521 /nfs/dbraw/zinc/65/35/21/1353653521.db2.gz CEIZRNHFDHUSEZ-MRXNPFEDSA-N 1 2 342.487 3.089 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](C/C(Cl)=C\Cl)[C@H]2C1 ZINC001085006205 1358363024 /nfs/dbraw/zinc/36/30/24/1358363024.db2.gz DQJBIVOMVHGCDM-IPUYDCKKSA-N 1 2 331.287 3.440 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](C/C(Cl)=C\Cl)[C@H]2C1 ZINC001085006205 1358363026 /nfs/dbraw/zinc/36/30/26/1358363026.db2.gz DQJBIVOMVHGCDM-IPUYDCKKSA-N 1 2 331.287 3.440 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1)C(=O)C1CCC1 ZINC001085452278 1358506046 /nfs/dbraw/zinc/50/60/46/1358506046.db2.gz LXQHZDCJRZKALD-SFHVURJKSA-N 1 2 330.859 3.024 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1)C(=O)C1CCC1 ZINC001085452278 1358506050 /nfs/dbraw/zinc/50/60/50/1358506050.db2.gz LXQHZDCJRZKALD-SFHVURJKSA-N 1 2 330.859 3.024 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1)C(=O)c1occc1Cl ZINC001085802335 1358778083 /nfs/dbraw/zinc/77/80/83/1358778083.db2.gz RAFPARUNWWCSNK-OAHLLOKOSA-N 1 2 343.814 3.151 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1)C(=O)c1occc1Cl ZINC001085802335 1358778089 /nfs/dbraw/zinc/77/80/89/1358778089.db2.gz RAFPARUNWWCSNK-OAHLLOKOSA-N 1 2 343.814 3.151 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)C(C)(CC)CC)C[C@@H](C)O2 ZINC001071244080 1354523835 /nfs/dbraw/zinc/52/38/35/1354523835.db2.gz PBMJEYQLKSEAAI-QAPCUYQASA-N 1 2 342.911 3.257 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C(C)(CC)CC)C[C@@H](C)O2 ZINC001071244080 1354523838 /nfs/dbraw/zinc/52/38/38/1354523838.db2.gz PBMJEYQLKSEAAI-QAPCUYQASA-N 1 2 342.911 3.257 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)c2cccs2)C[N@@H+]1Cc1ccccc1C#N ZINC001071328863 1354593219 /nfs/dbraw/zinc/59/32/19/1354593219.db2.gz FEXNIHBSIBQQNH-YOEHRIQHSA-N 1 2 339.464 3.403 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)c2cccs2)C[N@H+]1Cc1ccccc1C#N ZINC001071328863 1354593220 /nfs/dbraw/zinc/59/32/20/1354593220.db2.gz FEXNIHBSIBQQNH-YOEHRIQHSA-N 1 2 339.464 3.403 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3ccccc3C#N)C2)o1 ZINC001071332506 1354597426 /nfs/dbraw/zinc/59/74/26/1354597426.db2.gz RWCXGDKLWLQRBJ-KBXCAEBGSA-N 1 2 337.423 3.243 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3ccccc3C#N)C2)o1 ZINC001071332506 1354597430 /nfs/dbraw/zinc/59/74/30/1354597430.db2.gz RWCXGDKLWLQRBJ-KBXCAEBGSA-N 1 2 337.423 3.243 20 30 EGEDLO Cc1ccoc1C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001071352962 1354623512 /nfs/dbraw/zinc/62/35/12/1354623512.db2.gz YQNUDSAIRBECOB-KBPBESRZSA-N 1 2 343.452 3.304 20 30 EGEDLO Cc1ccoc1C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccc(C#N)s2)C1 ZINC001071352962 1354623514 /nfs/dbraw/zinc/62/35/14/1354623514.db2.gz YQNUDSAIRBECOB-KBPBESRZSA-N 1 2 343.452 3.304 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)C2CC(C)(C)C2)CC[C@@H]1C ZINC001071477850 1354717012 /nfs/dbraw/zinc/71/70/12/1354717012.db2.gz PXWCYHNQCKHFMH-GXTWGEPZSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)C2CC(C)(C)C2)CC[C@@H]1C ZINC001071477850 1354717016 /nfs/dbraw/zinc/71/70/16/1354717016.db2.gz PXWCYHNQCKHFMH-GXTWGEPZSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2nc(C(C)C)oc2C)CC[C@H]1C ZINC001071508481 1354733949 /nfs/dbraw/zinc/73/39/49/1354733949.db2.gz OQERLZRPWSDAIN-OCCSQVGLSA-N 1 2 339.867 3.442 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2nc(C(C)C)oc2C)CC[C@H]1C ZINC001071508481 1354733951 /nfs/dbraw/zinc/73/39/51/1354733951.db2.gz OQERLZRPWSDAIN-OCCSQVGLSA-N 1 2 339.867 3.442 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccnc(CCC)c2)CC[C@@H]1C ZINC001071589129 1354780845 /nfs/dbraw/zinc/78/08/45/1354780845.db2.gz PQLLASRLFMCJIO-WMLDXEAASA-N 1 2 335.879 3.369 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccnc(CCC)c2)CC[C@@H]1C ZINC001071589129 1354780841 /nfs/dbraw/zinc/78/08/41/1354780841.db2.gz PQLLASRLFMCJIO-WMLDXEAASA-N 1 2 335.879 3.369 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C(C)(C)C2CCOCC2)CC[C@@H]1C ZINC001071665797 1354837834 /nfs/dbraw/zinc/83/78/34/1354837834.db2.gz IDUZEFDXPMFOKF-HOCLYGCPSA-N 1 2 342.911 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C2CCOCC2)CC[C@@H]1C ZINC001071665797 1354837838 /nfs/dbraw/zinc/83/78/38/1354837838.db2.gz IDUZEFDXPMFOKF-HOCLYGCPSA-N 1 2 342.911 3.161 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2nc(Cl)sc2C)CC[C@@H]1C ZINC001071675519 1354842645 /nfs/dbraw/zinc/84/26/45/1354842645.db2.gz FFTHTYLGEXBLAS-GXSJLCMTSA-N 1 2 348.299 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2nc(Cl)sc2C)CC[C@@H]1C ZINC001071675519 1354842649 /nfs/dbraw/zinc/84/26/49/1354842649.db2.gz FFTHTYLGEXBLAS-GXSJLCMTSA-N 1 2 348.299 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc3[nH]nc(C)c3c2)CC[C@H]1C ZINC001071677871 1354844756 /nfs/dbraw/zinc/84/47/56/1354844756.db2.gz WNOGVEUGBGVLLU-DOMZBBRYSA-N 1 2 346.862 3.207 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc3[nH]nc(C)c3c2)CC[C@H]1C ZINC001071677871 1354844758 /nfs/dbraw/zinc/84/47/58/1354844758.db2.gz WNOGVEUGBGVLLU-DOMZBBRYSA-N 1 2 346.862 3.207 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2sc(C)nc2C)CC[C@@H]1C ZINC001071697842 1354859567 /nfs/dbraw/zinc/85/95/67/1354859567.db2.gz GQOQZKFRBWIRQG-SMDDNHRTSA-N 1 2 341.908 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2sc(C)nc2C)CC[C@@H]1C ZINC001071697842 1354859572 /nfs/dbraw/zinc/85/95/72/1354859572.db2.gz GQOQZKFRBWIRQG-SMDDNHRTSA-N 1 2 341.908 3.024 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2nccc3occc32)CC[C@@H]1C ZINC001071702130 1354861610 /nfs/dbraw/zinc/86/16/10/1354861610.db2.gz UMKWSTJLUQWXBD-STQMWFEESA-N 1 2 333.819 3.163 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2nccc3occc32)CC[C@@H]1C ZINC001071702130 1354861614 /nfs/dbraw/zinc/86/16/14/1354861614.db2.gz UMKWSTJLUQWXBD-STQMWFEESA-N 1 2 333.819 3.163 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc(F)ccc2OC)CC[C@H]1C ZINC001071725262 1354881824 /nfs/dbraw/zinc/88/18/24/1354881824.db2.gz SLZBMZGMSFVIOW-TZMCWYRMSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc(F)ccc2OC)CC[C@H]1C ZINC001071725262 1354881829 /nfs/dbraw/zinc/88/18/29/1354881829.db2.gz SLZBMZGMSFVIOW-TZMCWYRMSA-N 1 2 340.826 3.170 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C2(C)CCC2)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC001071741303 1354891489 /nfs/dbraw/zinc/89/14/89/1354891489.db2.gz FWABGRAHSLHWBZ-PBHICJAKSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C2(C)CCC2)C[N@H+]1Cc1cc(C#N)ccc1F ZINC001071741303 1354891494 /nfs/dbraw/zinc/89/14/94/1354891494.db2.gz FWABGRAHSLHWBZ-PBHICJAKSA-N 1 2 343.446 3.357 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3nocc3C)C2)CC1 ZINC001071796904 1354942319 /nfs/dbraw/zinc/94/23/19/1354942319.db2.gz ZETAUINOTNUACB-NVXWUHKLSA-N 1 2 331.460 3.199 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3nocc3C)C2)CC1 ZINC001071796904 1354942324 /nfs/dbraw/zinc/94/23/24/1354942324.db2.gz ZETAUINOTNUACB-NVXWUHKLSA-N 1 2 331.460 3.199 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3nc(C)cs3)C2)C1 ZINC001071802678 1354944892 /nfs/dbraw/zinc/94/48/92/1354944892.db2.gz ALSJNXBGTBFCNN-LSDHHAIUSA-N 1 2 333.501 3.277 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3nc(C)cs3)C2)C1 ZINC001071802678 1354944897 /nfs/dbraw/zinc/94/48/97/1354944897.db2.gz ALSJNXBGTBFCNN-LSDHHAIUSA-N 1 2 333.501 3.277 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3cncc(F)c3)C2)C1 ZINC001071807469 1354951391 /nfs/dbraw/zinc/95/13/91/1354951391.db2.gz SNWHTWKDCUJTIS-WMLDXEAASA-N 1 2 331.435 3.046 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3cncc(F)c3)C2)C1 ZINC001071807469 1354951398 /nfs/dbraw/zinc/95/13/98/1354951398.db2.gz SNWHTWKDCUJTIS-WMLDXEAASA-N 1 2 331.435 3.046 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)CCN3C)CC[C@H]1C ZINC001071967755 1355049435 /nfs/dbraw/zinc/04/94/35/1355049435.db2.gz PBAJBOWPVKXDEY-PBHICJAKSA-N 1 2 347.890 3.014 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)CCN3C)CC[C@H]1C ZINC001071967755 1355049437 /nfs/dbraw/zinc/04/94/37/1355049437.db2.gz PBAJBOWPVKXDEY-PBHICJAKSA-N 1 2 347.890 3.014 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2cc(C)ccc2F)CC[C@@H]1C ZINC001072008581 1355072093 /nfs/dbraw/zinc/07/20/93/1355072093.db2.gz IQEUSYLYYSZVEO-HOCLYGCPSA-N 1 2 338.854 3.398 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2cc(C)ccc2F)CC[C@@H]1C ZINC001072008581 1355072095 /nfs/dbraw/zinc/07/20/95/1355072095.db2.gz IQEUSYLYYSZVEO-HOCLYGCPSA-N 1 2 338.854 3.398 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc(-c3ccoc3)n[nH]2)CC[C@H]1C ZINC001072071885 1355113233 /nfs/dbraw/zinc/11/32/33/1355113233.db2.gz BKIWJPBUJXUSCL-OCCSQVGLSA-N 1 2 348.834 3.005 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc(-c3ccoc3)n[nH]2)CC[C@H]1C ZINC001072071885 1355113234 /nfs/dbraw/zinc/11/32/34/1355113234.db2.gz BKIWJPBUJXUSCL-OCCSQVGLSA-N 1 2 348.834 3.005 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2c(C)nsc2C)CC[C@H]1C ZINC001072105970 1355134008 /nfs/dbraw/zinc/13/40/08/1355134008.db2.gz NFQVVMIEBXRYGM-ZWNOBZJWSA-N 1 2 327.881 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2c(C)nsc2C)CC[C@H]1C ZINC001072105970 1355134009 /nfs/dbraw/zinc/13/40/09/1355134009.db2.gz NFQVVMIEBXRYGM-ZWNOBZJWSA-N 1 2 327.881 3.095 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc3n(c2)CCCC3)CC[C@H]1C ZINC001072130696 1355146084 /nfs/dbraw/zinc/14/60/84/1355146084.db2.gz XNUAOXWOOPSFLQ-ZBFHGGJFSA-N 1 2 335.879 3.160 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc3n(c2)CCCC3)CC[C@H]1C ZINC001072130696 1355146086 /nfs/dbraw/zinc/14/60/86/1355146086.db2.gz XNUAOXWOOPSFLQ-ZBFHGGJFSA-N 1 2 335.879 3.160 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CC3(C)CCCCC3)C[C@@H]21 ZINC001074290678 1356156620 /nfs/dbraw/zinc/15/66/20/1356156620.db2.gz AQDAPPGLPXAYDZ-ZWKOTPCHSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CC3(C)CCCCC3)C[C@@H]21 ZINC001074290678 1356156621 /nfs/dbraw/zinc/15/66/21/1356156621.db2.gz AQDAPPGLPXAYDZ-ZWKOTPCHSA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C3CCCCCCC3)C[C@@H]21 ZINC001074291084 1356156682 /nfs/dbraw/zinc/15/66/82/1356156682.db2.gz FBHJOCPJMBLEFA-OALUTQOASA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C3CCCCCCC3)C[C@@H]21 ZINC001074291084 1356156683 /nfs/dbraw/zinc/15/66/83/1356156683.db2.gz FBHJOCPJMBLEFA-OALUTQOASA-N 1 2 334.504 3.225 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(Cl)c(C)c3)C[C@H]21 ZINC001074331260 1356171546 /nfs/dbraw/zinc/17/15/46/1356171546.db2.gz FEUDUWUDDMNIMF-MSOLQXFVSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(Cl)c(C)c3)C[C@H]21 ZINC001074331260 1356171548 /nfs/dbraw/zinc/17/15/48/1356171548.db2.gz FEUDUWUDDMNIMF-MSOLQXFVSA-N 1 2 348.874 3.140 20 30 EGEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3sccc3C(C)C)C[C@@H]21 ZINC001074413506 1356196574 /nfs/dbraw/zinc/19/65/74/1356196574.db2.gz UYDYKDSTWFEBCS-DLBZAZTESA-N 1 2 348.512 3.363 20 30 EGEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3sccc3C(C)C)C[C@@H]21 ZINC001074413506 1356196577 /nfs/dbraw/zinc/19/65/77/1356196577.db2.gz UYDYKDSTWFEBCS-DLBZAZTESA-N 1 2 348.512 3.363 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4ccncc4s3)[C@@H]2C1 ZINC001075881402 1356438354 /nfs/dbraw/zinc/43/83/54/1356438354.db2.gz QOJIGRFCDOYVQE-UONOGXRCSA-N 1 2 347.871 3.195 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4ccncc4s3)[C@@H]2C1 ZINC001075881402 1356438356 /nfs/dbraw/zinc/43/83/56/1356438356.db2.gz QOJIGRFCDOYVQE-UONOGXRCSA-N 1 2 347.871 3.195 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4ccsc4[nH]3)[C@@H]2C1 ZINC001076108389 1356492170 /nfs/dbraw/zinc/49/21/70/1356492170.db2.gz MSFSJZQZRSKCHI-GXTWGEPZSA-N 1 2 335.860 3.128 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4ccsc4[nH]3)[C@@H]2C1 ZINC001076108389 1356492174 /nfs/dbraw/zinc/49/21/74/1356492174.db2.gz MSFSJZQZRSKCHI-GXTWGEPZSA-N 1 2 335.860 3.128 20 30 EGEDLO CC(C)[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001076316028 1356545212 /nfs/dbraw/zinc/54/52/12/1356545212.db2.gz BGHUOIRWJCUHFS-URLQWDBASA-N 1 2 343.446 3.022 20 30 EGEDLO CC(C)[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001076316028 1356545213 /nfs/dbraw/zinc/54/52/13/1356545213.db2.gz 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C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CC2CCCCC2)[C@H]1C ZINC001088459452 1359921050 /nfs/dbraw/zinc/92/10/50/1359921050.db2.gz RCRSJPLDVLXVAH-HIFRSBDPSA-N 1 2 343.309 3.444 20 30 EGEDLO C[C@H](C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@@H]1C)C1CC1 ZINC001088509862 1359947836 /nfs/dbraw/zinc/94/78/36/1359947836.db2.gz HFCHVFKSGMQNSK-KHYOSLBOSA-N 1 2 344.886 3.317 20 30 EGEDLO C[C@H](C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@@H]1C)C1CC1 ZINC001088509862 1359947839 /nfs/dbraw/zinc/94/78/39/1359947839.db2.gz HFCHVFKSGMQNSK-KHYOSLBOSA-N 1 2 344.886 3.317 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2CC2(C)C)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088527938 1359959877 /nfs/dbraw/zinc/95/98/77/1359959877.db2.gz ISWIVTDKETVOIU-KYJSFNMBSA-N 1 2 344.886 3.317 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2CC2(C)C)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088527938 1359959881 /nfs/dbraw/zinc/95/98/81/1359959881.db2.gz ISWIVTDKETVOIU-KYJSFNMBSA-N 1 2 344.886 3.317 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)c(OC)c(C)c2)[C@H]1C 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/nfs/dbraw/zinc/07/16/01/1360071601.db2.gz RTPDAWQWOQYICE-ABAIWWIYSA-N 1 2 345.245 3.353 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2occc2Cl)CC[N@@H+]1Cc1ccccc1C#N ZINC001088839287 1360074135 /nfs/dbraw/zinc/07/41/35/1360074135.db2.gz DKPKOSDKFRXQTE-WBMJQRKESA-N 1 2 343.814 3.197 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2occc2Cl)CC[N@H+]1Cc1ccccc1C#N ZINC001088839287 1360074139 /nfs/dbraw/zinc/07/41/39/1360074139.db2.gz DKPKOSDKFRXQTE-WBMJQRKESA-N 1 2 343.814 3.197 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(OC)cc2Cl)[C@H]1C ZINC001088927327 1360106034 /nfs/dbraw/zinc/10/60/34/1360106034.db2.gz LNFFUZPFBVZPMQ-ABAIWWIYSA-N 1 2 343.254 3.294 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(OC)cc2Cl)[C@H]1C ZINC001088927327 1360106039 /nfs/dbraw/zinc/10/60/39/1360106039.db2.gz LNFFUZPFBVZPMQ-ABAIWWIYSA-N 1 2 343.254 3.294 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccnc(C3CCCC3)n2)[C@H]1C ZINC001088950563 1360111845 /nfs/dbraw/zinc/11/18/45/1360111845.db2.gz WYZLKPKTPXQYHW-HIFRSBDPSA-N 1 2 348.878 3.079 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccnc(C3CCCC3)n2)[C@H]1C ZINC001088950563 1360111846 /nfs/dbraw/zinc/11/18/46/1360111846.db2.gz WYZLKPKTPXQYHW-HIFRSBDPSA-N 1 2 348.878 3.079 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCCN1C(=O)C1CCC1 ZINC001089097932 1360166252 /nfs/dbraw/zinc/16/62/52/1360166252.db2.gz UDEUIUPHYSJKSZ-IBGZPJMESA-N 1 2 343.446 3.310 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCCN1C(=O)C1CCC1 ZINC001089097932 1360166254 /nfs/dbraw/zinc/16/62/54/1360166254.db2.gz UDEUIUPHYSJKSZ-IBGZPJMESA-N 1 2 343.446 3.310 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCCN1C(=O)C(C)(C)F ZINC001089099890 1360166562 /nfs/dbraw/zinc/16/65/62/1360166562.db2.gz HVRUPMNGIABYQG-KRWDZBQOSA-N 1 2 349.425 3.258 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCCN1C(=O)C(C)(C)F ZINC001089099890 1360166565 /nfs/dbraw/zinc/16/65/65/1360166565.db2.gz HVRUPMNGIABYQG-KRWDZBQOSA-N 1 2 349.425 3.258 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)N(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001089135711 1360194484 /nfs/dbraw/zinc/19/44/84/1360194484.db2.gz QKFROTQEPUYLLN-IRXDYDNUSA-N 1 2 342.487 3.185 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(F)nc1 ZINC001089618575 1360538275 /nfs/dbraw/zinc/53/82/75/1360538275.db2.gz GDLJAOCAYKHKIX-CQSZACIVSA-N 1 2 339.842 3.194 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(F)nc1 ZINC001089618575 1360538278 /nfs/dbraw/zinc/53/82/78/1360538278.db2.gz GDLJAOCAYKHKIX-CQSZACIVSA-N 1 2 339.842 3.194 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cnccc1C ZINC001089625923 1360544275 /nfs/dbraw/zinc/54/42/75/1360544275.db2.gz VRIHEXYGUFJFRT-OAHLLOKOSA-N 1 2 335.879 3.363 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cnccc1C ZINC001089625923 1360544278 /nfs/dbraw/zinc/54/42/78/1360544278.db2.gz VRIHEXYGUFJFRT-OAHLLOKOSA-N 1 2 335.879 3.363 20 30 EGEDLO C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCc2cn[nH]c21 ZINC001089641628 1360554760 /nfs/dbraw/zinc/55/47/60/1360554760.db2.gz PIXWROWMMNOUET-IAGOWNOFSA-N 1 2 344.503 3.013 20 30 EGEDLO C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCc2cn[nH]c21 ZINC001089641628 1360554763 /nfs/dbraw/zinc/55/47/63/1360554763.db2.gz PIXWROWMMNOUET-IAGOWNOFSA-N 1 2 344.503 3.013 20 30 EGEDLO Cc1cc(NCCCC[C@@H](C)NC(=O)[C@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001090063974 1360808169 /nfs/dbraw/zinc/80/81/69/1360808169.db2.gz GTYQHGPVMBSZEM-ZIAGYGMSSA-N 1 2 331.464 3.155 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H](CNc2cc[nH+]c(C)n2)[C@H](C)C1 ZINC001090274758 1360881930 /nfs/dbraw/zinc/88/19/30/1360881930.db2.gz GDNLDAJDABCHKO-ZBFHGGJFSA-N 1 2 330.476 3.284 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C12CCC2 ZINC001090611901 1360910598 /nfs/dbraw/zinc/91/05/98/1360910598.db2.gz FADVSHYWGCYMTB-KBPBESRZSA-N 1 2 348.878 3.403 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001090806298 1360939178 /nfs/dbraw/zinc/93/91/78/1360939178.db2.gz XPOKWIKPFVBHQN-FRFSOERESA-N 1 2 342.487 3.206 20 30 EGEDLO Cc1cc(N[C@@H]2CCCC[C@H]2NC(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001091254444 1361023497 /nfs/dbraw/zinc/02/34/97/1361023497.db2.gz OTZODZPLLCVBGH-IAGOWNOFSA-N 1 2 340.471 3.161 20 30 EGEDLO C=C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001091460153 1361106363 /nfs/dbraw/zinc/10/63/63/1361106363.db2.gz SHBOWPGHZFRAAR-KBAYOESNSA-N 1 2 336.439 3.062 20 30 EGEDLO CC#CCCCC(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001091497152 1361123688 /nfs/dbraw/zinc/12/36/88/1361123688.db2.gz NQQOSWWJOPOZGE-JCNLHEQBSA-N 1 2 340.471 3.163 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1CC ZINC001091806160 1361225560 /nfs/dbraw/zinc/22/55/60/1361225560.db2.gz FFLZPQZGODJQOV-DLBZAZTESA-N 1 2 342.487 3.492 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001092038198 1361278512 /nfs/dbraw/zinc/27/85/12/1361278512.db2.gz GDAAKIAVILEDMP-PVAVHDDUSA-N 1 2 330.476 3.088 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)[C@@H]1C ZINC001092053312 1361283676 /nfs/dbraw/zinc/28/36/76/1361283676.db2.gz JYESJZAPKUVOPL-CVEARBPZSA-N 1 2 330.476 3.348 20 30 EGEDLO CC#CCCCC(=O)NCC1CC(Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001092256570 1361344824 /nfs/dbraw/zinc/34/48/24/1361344824.db2.gz WNXWNNNQCJETOE-UHFFFAOYSA-N 1 2 342.487 3.409 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001092440731 1361385087 /nfs/dbraw/zinc/38/50/87/1361385087.db2.gz LQAWPQOBKVSMJE-DUXSXAKTSA-N 1 2 344.503 3.193 20 30 EGEDLO C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001093371100 1361580507 /nfs/dbraw/zinc/58/05/07/1361580507.db2.gz JLRNHWFSRLYRPP-KBPBESRZSA-N 1 2 348.384 3.166 20 30 EGEDLO C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001093371100 1361580511 /nfs/dbraw/zinc/58/05/11/1361580511.db2.gz JLRNHWFSRLYRPP-KBPBESRZSA-N 1 2 348.384 3.166 20 30 EGEDLO C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001093371100 1361580513 /nfs/dbraw/zinc/58/05/13/1361580513.db2.gz JLRNHWFSRLYRPP-KBPBESRZSA-N 1 2 348.384 3.166 20 30 EGEDLO C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001093371100 1361580517 /nfs/dbraw/zinc/58/05/17/1361580517.db2.gz JLRNHWFSRLYRPP-KBPBESRZSA-N 1 2 348.384 3.166 20 30 EGEDLO C=CCCO[C@H](C)C(=O)NCCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001093513620 1361633256 /nfs/dbraw/zinc/63/32/56/1361633256.db2.gz FTVQUZCNFRYDTR-OAHLLOKOSA-N 1 2 348.491 3.233 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@]3(C)CCC[C@H]3CC)CC2)C1 ZINC001093547055 1361639435 /nfs/dbraw/zinc/63/94/35/1361639435.db2.gz ZGMPWRZUBRFBKN-OXQOHEQNSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3occc3C(C)C)CC2)C1 ZINC001093564024 1361643645 /nfs/dbraw/zinc/64/36/45/1361643645.db2.gz QMEMNJZAUHMVAY-UHFFFAOYSA-N 1 2 346.471 3.285 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3C[C@@H]3C3CCCC3)CC2)C1 ZINC001093587017 1361649388 /nfs/dbraw/zinc/64/93/88/1361649388.db2.gz MKOSRLHTCIKVIU-UXHICEINSA-N 1 2 346.515 3.081 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3C3CCCC3)CC2)C1 ZINC001093587023 1361649723 /nfs/dbraw/zinc/64/97/23/1361649723.db2.gz MKOSRLHTCIKVIU-VQTJNVASSA-N 1 2 346.515 3.081 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3CCCC(C)(C)C3)CC2)C1 ZINC001093600476 1361655094 /nfs/dbraw/zinc/65/50/94/1361655094.db2.gz XFVIVAPUEFBVBI-INIZCTEOSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)NCCCCCCNc1cc[nH+]c(C)n1 ZINC001094980781 1361974141 /nfs/dbraw/zinc/97/41/41/1361974141.db2.gz PTABKIFXFFAQLZ-LJQANCHMSA-N 1 2 348.491 3.102 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)NCCCCCCNc1cc[nH+]c(C)n1 ZINC001094980780 1361974156 /nfs/dbraw/zinc/97/41/56/1361974156.db2.gz PTABKIFXFFAQLZ-IBGZPJMESA-N 1 2 348.491 3.102 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001095153594 1362034920 /nfs/dbraw/zinc/03/49/20/1362034920.db2.gz JNPJCNJEXMRTJT-QGZVFWFLSA-N 1 2 342.487 3.139 20 30 EGEDLO Cc1ccoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001095176907 1362042559 /nfs/dbraw/zinc/04/25/59/1362042559.db2.gz PMVHOMOWJPMPJQ-KCXAZCMYSA-N 1 2 341.436 3.057 20 30 EGEDLO Cc1ccoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001095176907 1362042563 /nfs/dbraw/zinc/04/25/63/1362042563.db2.gz PMVHOMOWJPMPJQ-KCXAZCMYSA-N 1 2 341.436 3.057 20 30 EGEDLO C=C(C)CCC(=O)NCC1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095367331 1362116956 /nfs/dbraw/zinc/11/69/56/1362116956.db2.gz ZFWYDAXLQVMJHM-UHFFFAOYSA-N 1 2 342.487 3.351 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NC1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001095442888 1362142655 /nfs/dbraw/zinc/14/26/55/1362142655.db2.gz PYPFNQQCASRFPF-HOCLYGCPSA-N 1 2 344.503 3.452 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccccc1CC)C2 ZINC001095604945 1362182756 /nfs/dbraw/zinc/18/27/56/1362182756.db2.gz PAOGUEVZFWFHIS-SQNIBIBYSA-N 1 2 332.875 3.266 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccccc1CC)C2 ZINC001095604945 1362182757 /nfs/dbraw/zinc/18/27/57/1362182757.db2.gz PAOGUEVZFWFHIS-SQNIBIBYSA-N 1 2 332.875 3.266 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001095750160 1362221434 /nfs/dbraw/zinc/22/14/34/1362221434.db2.gz XDBOHVQPGCMFAS-UHFFFAOYSA-N 1 2 344.503 3.209 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(C(C)C)c1C)C2 ZINC001095899964 1362278986 /nfs/dbraw/zinc/27/89/86/1362278986.db2.gz BIPGCJNJTMKGIV-PVAVHDDUSA-N 1 2 335.879 3.465 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(C(C)C)c1C)C2 ZINC001095899964 1362278989 /nfs/dbraw/zinc/27/89/89/1362278989.db2.gz BIPGCJNJTMKGIV-PVAVHDDUSA-N 1 2 335.879 3.465 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCCN(CC)c1nc(C)[nH+]c(C)c1C ZINC001095947767 1362300804 /nfs/dbraw/zinc/30/08/04/1362300804.db2.gz ZVUDONVMTKAUGQ-ZIAGYGMSSA-N 1 2 332.492 3.193 20 30 EGEDLO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)c1ccco1 ZINC001096000960 1362329062 /nfs/dbraw/zinc/32/90/62/1362329062.db2.gz JVSLFXOBIIASQE-VLQPXKRTSA-N 1 2 349.434 3.176 20 30 EGEDLO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)c1ccco1 ZINC001096000960 1362329066 /nfs/dbraw/zinc/32/90/66/1362329066.db2.gz JVSLFXOBIIASQE-VLQPXKRTSA-N 1 2 349.434 3.176 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C3CC3)nc1C)C2 ZINC001096032852 1362341438 /nfs/dbraw/zinc/34/14/38/1362341438.db2.gz SVCUKETUZWRXOM-JLSDUUJJSA-N 1 2 345.874 3.355 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C3CC3)nc1C)C2 ZINC001096032852 1362341443 /nfs/dbraw/zinc/34/14/43/1362341443.db2.gz SVCUKETUZWRXOM-JLSDUUJJSA-N 1 2 345.874 3.355 20 30 EGEDLO C=CCC(C)(C)C(=O)N(C)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001096129134 1362398549 /nfs/dbraw/zinc/39/85/49/1362398549.db2.gz JFSORVMILHBFQX-UHFFFAOYSA-N 1 2 344.503 3.431 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096208466 1362432205 /nfs/dbraw/zinc/43/22/05/1362432205.db2.gz KQKHAMXVUIMALY-INIZCTEOSA-N 1 2 328.460 3.104 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096224295 1362440970 /nfs/dbraw/zinc/44/09/70/1362440970.db2.gz GPRDHIGCHTTYOY-MRXNPFEDSA-N 1 2 328.460 3.104 20 30 EGEDLO Cc1cc(N[C@H](CNC(=O)C#CC(C)(C)C)C2CC2)nc(C2CC2)[nH+]1 ZINC001096654414 1362618054 /nfs/dbraw/zinc/61/80/54/1362618054.db2.gz MQHGIIPIOGRSQR-MRXNPFEDSA-N 1 2 340.471 3.019 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001097094916 1362840489 /nfs/dbraw/zinc/84/04/89/1362840489.db2.gz SDCKTAJTWAYODN-WKILWMFISA-N 1 2 328.460 3.161 20 30 EGEDLO C=CCCC(=O)NC[C@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001097281676 1362912255 /nfs/dbraw/zinc/91/22/55/1362912255.db2.gz UCVVONTZKNZNHT-MRXNPFEDSA-N 1 2 330.476 3.207 20 30 EGEDLO C#CCCCC(=O)NC[C@@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001097303878 1362921261 /nfs/dbraw/zinc/92/12/61/1362921261.db2.gz ZHIUIEJCVWLTMJ-KRWDZBQOSA-N 1 2 342.487 3.045 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CCCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001097462598 1363005042 /nfs/dbraw/zinc/00/50/42/1363005042.db2.gz NGFAIIRZZVQIQS-KRWDZBQOSA-N 1 2 342.487 3.494 20 30 EGEDLO C=CCC1(C(=O)N[C@H](C)[C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)CCC1 ZINC001097542985 1363050750 /nfs/dbraw/zinc/05/07/50/1363050750.db2.gz NIFYEFUOCBYULL-NVXWUHKLSA-N 1 2 342.487 3.253 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)nc1C1CC1)C2 ZINC001097589345 1363061442 /nfs/dbraw/zinc/06/14/42/1363061442.db2.gz AHKAKUNZLYBSED-OIISXLGYSA-N 1 2 345.874 3.355 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)nc1C1CC1)C2 ZINC001097589345 1363061444 /nfs/dbraw/zinc/06/14/44/1363061444.db2.gz AHKAKUNZLYBSED-OIISXLGYSA-N 1 2 345.874 3.355 20 30 EGEDLO Cc1cc(NC2CCC(NC(=O)C#CC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001097622946 1363079101 /nfs/dbraw/zinc/07/91/01/1363079101.db2.gz FMANKIVZSASVAT-UHFFFAOYSA-N 1 2 342.487 3.407 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001098069649 1363214296 /nfs/dbraw/zinc/21/42/96/1363214296.db2.gz QRGBAUPGRSGWDG-CQSZACIVSA-N 1 2 342.487 3.349 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(c3ccccc3F)CC1)C2 ZINC001098143591 1363234725 /nfs/dbraw/zinc/23/47/25/1363234725.db2.gz WGVFYRFNIMHHHI-XYPHTWIQSA-N 1 2 348.849 3.331 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(c3ccccc3F)CC1)C2 ZINC001098143591 1363234727 /nfs/dbraw/zinc/23/47/27/1363234727.db2.gz WGVFYRFNIMHHHI-XYPHTWIQSA-N 1 2 348.849 3.331 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001098188396 1363248634 /nfs/dbraw/zinc/24/86/34/1363248634.db2.gz KXJHSGLPZNFVJL-OAHLLOKOSA-N 1 2 342.487 3.164 20 30 EGEDLO C=CCCC1(C(=O)NC[C@@H](C)Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001098244588 1363267985 /nfs/dbraw/zinc/26/79/85/1363267985.db2.gz SIXLYBAOYAKXAG-CQSZACIVSA-N 1 2 342.487 3.327 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1CCC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001098617715 1363400968 /nfs/dbraw/zinc/40/09/68/1363400968.db2.gz PSHXSBQYVSIDOK-IAGOWNOFSA-N 1 2 340.471 3.305 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CCC[C@H](Nc3cc[nH+]c(C)n3)C2)CCC1 ZINC001098651385 1363418030 /nfs/dbraw/zinc/41/80/30/1363418030.db2.gz KYGSYEDEAQRBDI-HOTGVXAUSA-N 1 2 328.460 3.371 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1coc(C)n1 ZINC001099029195 1363583671 /nfs/dbraw/zinc/58/36/71/1363583671.db2.gz VTUJAUMGXSMXHO-SFHVURJKSA-N 1 2 345.487 3.283 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1coc(C)n1 ZINC001099029195 1363583675 /nfs/dbraw/zinc/58/36/75/1363583675.db2.gz VTUJAUMGXSMXHO-SFHVURJKSA-N 1 2 345.487 3.283 20 30 EGEDLO C#CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nc(C)c(C)o1 ZINC001099048632 1363593273 /nfs/dbraw/zinc/59/32/73/1363593273.db2.gz IXNQIWMTERQCCP-QGZVFWFLSA-N 1 2 345.487 3.202 20 30 EGEDLO C#CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nc(C)c(C)o1 ZINC001099048632 1363593275 /nfs/dbraw/zinc/59/32/75/1363593275.db2.gz IXNQIWMTERQCCP-QGZVFWFLSA-N 1 2 345.487 3.202 20 30 EGEDLO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001099084911 1363614624 /nfs/dbraw/zinc/61/46/24/1363614624.db2.gz HOOFFUHNGYRCJV-QWHCGFSZSA-N 1 2 338.389 3.460 20 30 EGEDLO C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001099084911 1363614627 /nfs/dbraw/zinc/61/46/27/1363614627.db2.gz HOOFFUHNGYRCJV-QWHCGFSZSA-N 1 2 338.389 3.460 20 30 EGEDLO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC001099084911 1363614628 /nfs/dbraw/zinc/61/46/28/1363614628.db2.gz HOOFFUHNGYRCJV-QWHCGFSZSA-N 1 2 338.389 3.460 20 30 EGEDLO C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC001099084911 1363614631 /nfs/dbraw/zinc/61/46/31/1363614631.db2.gz HOOFFUHNGYRCJV-QWHCGFSZSA-N 1 2 338.389 3.460 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(CCF)CC1 ZINC001099154513 1363660226 /nfs/dbraw/zinc/66/02/26/1363660226.db2.gz YKSGVCYFWBZGJN-CQSZACIVSA-N 1 2 330.875 3.486 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(CCF)CC1 ZINC001099154513 1363660228 /nfs/dbraw/zinc/66/02/28/1363660228.db2.gz YKSGVCYFWBZGJN-CQSZACIVSA-N 1 2 330.875 3.486 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ncccn1 ZINC001099214970 1363695588 /nfs/dbraw/zinc/69/55/88/1363695588.db2.gz OVZCYZVVZDOUGL-OXQOHEQNSA-N 1 2 344.503 3.186 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ncccn1 ZINC001099214970 1363695590 /nfs/dbraw/zinc/69/55/90/1363695590.db2.gz OVZCYZVVZDOUGL-OXQOHEQNSA-N 1 2 344.503 3.186 20 30 EGEDLO C=C1CC(C)(C(=O)NCC[C@H](C)Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001099670135 1363906290 /nfs/dbraw/zinc/90/62/90/1363906290.db2.gz FCANLIFWQNGSAN-AWEZNQCLSA-N 1 2 342.487 3.327 20 30 EGEDLO C=CCCCC(=O)NC[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001101045825 1364389370 /nfs/dbraw/zinc/38/93/70/1364389370.db2.gz VKIOEHNGDHEKLG-INIZCTEOSA-N 1 2 330.476 3.207 20 30 EGEDLO C#CCCCCCC(=O)NCCN(c1nc(C)[nH+]c(C)c1C)C1CC1 ZINC001101419851 1364554558 /nfs/dbraw/zinc/55/45/58/1364554558.db2.gz GTJODVJCWBMWQF-UHFFFAOYSA-N 1 2 342.487 3.071 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)CCCC[C@@H](C)CC)c1nccn12 ZINC001101630727 1364662140 /nfs/dbraw/zinc/66/21/40/1364662140.db2.gz MALWTKHUCSHPQZ-IRXDYDNUSA-N 1 2 344.503 3.248 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)CCCCCCCC)c1nccn12 ZINC001101651128 1364673657 /nfs/dbraw/zinc/67/36/57/1364673657.db2.gz LFUQIADXIZXLRY-KRWDZBQOSA-N 1 2 344.503 3.392 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)CCCC1CCCC1)c1nccn12 ZINC001101652934 1364674952 /nfs/dbraw/zinc/67/49/52/1364674952.db2.gz WFDAWCSTFCXGHW-QGZVFWFLSA-N 1 2 342.487 3.002 20 30 EGEDLO C=CCCC1(C(=O)NCCCN(c2cc[nH+]c(C)n2)C(C)C)CC1 ZINC001102139403 1364886451 /nfs/dbraw/zinc/88/64/51/1364886451.db2.gz QFYKAPVHTMWKHP-UHFFFAOYSA-N 1 2 330.476 3.253 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1nc(C)[nH+]c(C)c1C ZINC001102204703 1364932449 /nfs/dbraw/zinc/93/24/49/1364932449.db2.gz SJWSTXPDPORYHS-OKZBNKHCSA-N 1 2 342.487 3.184 20 30 EGEDLO C=CC(C)(C)C(=O)NCC[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001102368775 1365026476 /nfs/dbraw/zinc/02/64/76/1365026476.db2.gz GBHHYVAURLTCOW-INIZCTEOSA-N 1 2 344.503 3.453 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC(CN(C)c2cc[nH+]c(C)n2)CC1 ZINC001102466281 1365071141 /nfs/dbraw/zinc/07/11/41/1365071141.db2.gz JGAAPHZZUNJZFW-OAHLLOKOSA-N 1 2 330.476 3.062 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC(CN(C)c2cc[nH+]c(C)n2)CC1 ZINC001102468264 1365073068 /nfs/dbraw/zinc/07/30/68/1365073068.db2.gz ZNUGPOQHDXFHPG-UHFFFAOYSA-N 1 2 330.476 3.062 20 30 EGEDLO C=CC1(CC(=O)N(C)[C@H]2CCN(c3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001102717985 1365183508 /nfs/dbraw/zinc/18/35/08/1365183508.db2.gz JQGUNJZSCCGNCF-KRWDZBQOSA-N 1 2 342.487 3.349 20 30 EGEDLO C=CCCC(=O)N(CC)[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102782121 1365215761 /nfs/dbraw/zinc/21/57/61/1365215761.db2.gz QTOMSKALPVEPEE-MRXNPFEDSA-N 1 2 328.460 3.056 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001102857440 1365255846 /nfs/dbraw/zinc/25/58/46/1365255846.db2.gz ANRQKWZSEWPENR-MRXNPFEDSA-N 1 2 330.476 3.350 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCC[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001102941144 1365305682 /nfs/dbraw/zinc/30/56/82/1365305682.db2.gz BCPOJUDVMRIWMC-INIZCTEOSA-N 1 2 330.476 3.110 20 30 EGEDLO Cc1c(C(=O)/C=C\c2ccc[nH+]c2N(C)C)nnn1-c1ccc(C)cc1 ZINC001324707528 1387745045 /nfs/dbraw/zinc/74/50/45/1387745045.db2.gz QEVVEYSGMBBIGK-XFXZXTDPSA-N 1 2 347.422 3.241 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001103614017 1365676898 /nfs/dbraw/zinc/67/68/98/1365676898.db2.gz AKYQKIALSKFNLH-INIZCTEOSA-N 1 2 330.476 3.428 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC(CCNc2cc[nH+]c(C)n2)CC1 ZINC001103623797 1365685381 /nfs/dbraw/zinc/68/53/81/1365685381.db2.gz TVRQBDRXDMBYMV-MRXNPFEDSA-N 1 2 330.476 3.428 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001103641711 1365696751 /nfs/dbraw/zinc/69/67/51/1365696751.db2.gz ZCZGVFHAOKKXIZ-QAQDUYKDSA-N 1 2 340.471 3.305 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001103692526 1365732501 /nfs/dbraw/zinc/73/25/01/1365732501.db2.gz BQBGVEVBSRBQQK-UHFFFAOYSA-N 1 2 330.476 3.110 20 30 EGEDLO C=C[C@H](CC(=O)NC[C@H](C)CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001103988580 1365861017 /nfs/dbraw/zinc/86/10/17/1365861017.db2.gz FZNXBCLAASCMQM-NVXWUHKLSA-N 1 2 338.455 3.309 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001104163330 1365932924 /nfs/dbraw/zinc/93/29/24/1365932924.db2.gz HYBOYTBALTYIDM-UKRRQHHQSA-N 1 2 330.476 3.429 20 30 EGEDLO C#CCCCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@H](C)C1 ZINC001105036348 1366287048 /nfs/dbraw/zinc/28/70/48/1366287048.db2.gz ZJQCYNQPDVOSEF-RHSMWYFYSA-N 1 2 340.471 3.115 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N(C)CCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001105528629 1366511976 /nfs/dbraw/zinc/51/19/76/1366511976.db2.gz RFKMPFVPXLTUOS-UKRRQHHQSA-N 1 2 330.476 3.015 20 30 EGEDLO C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C(F)C(F)(F)F)CCC1 ZINC001105539198 1366518312 /nfs/dbraw/zinc/51/83/12/1366518312.db2.gz BCKRVALVNCVXQI-QWHCGFSZSA-N 1 2 336.373 3.214 20 30 EGEDLO C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H](F)C(F)(F)F)CCC1 ZINC001105539198 1366518315 /nfs/dbraw/zinc/51/83/15/1366518315.db2.gz BCKRVALVNCVXQI-QWHCGFSZSA-N 1 2 336.373 3.214 20 30 EGEDLO Cc1cc(NC[C@H]2CCC[C@@H]2NC(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001105657847 1366562135 /nfs/dbraw/zinc/56/21/35/1366562135.db2.gz IQNWMOIGPRBION-SJORKVTESA-N 1 2 340.471 3.019 20 30 EGEDLO Cc1cc(NC[C@@H]2CCC[C@H]2NC(=O)C#CC(C)C)nc(C(C)C)[nH+]1 ZINC001105663629 1366563676 /nfs/dbraw/zinc/56/36/76/1366563676.db2.gz QUXXQNJPMKNIAQ-DLBZAZTESA-N 1 2 342.487 3.265 20 30 EGEDLO C=CCC1(C(=O)N2CCC(OC3C[NH+](CC=C(C)C)C3)CC2)CCC1 ZINC001105724235 1366585753 /nfs/dbraw/zinc/58/57/53/1366585753.db2.gz SWVMTDCDJKXHLS-UHFFFAOYSA-N 1 2 346.515 3.391 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H](F)CCCCCC)CC2)C1 ZINC001105731907 1366588747 /nfs/dbraw/zinc/58/87/47/1366588747.db2.gz VXMREMBBBSSUEL-SFHVURJKSA-N 1 2 340.483 3.173 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC/C=C\CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107464122 1366973890 /nfs/dbraw/zinc/97/38/90/1366973890.db2.gz QLMANXDRIYVFBM-QWGSZXSUSA-N 1 2 342.487 3.350 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1F ZINC001109166515 1366985471 /nfs/dbraw/zinc/98/54/71/1366985471.db2.gz VBKAHETYFODRNA-NEWSRXKRSA-N 1 2 346.421 3.380 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1F ZINC001109166515 1366985477 /nfs/dbraw/zinc/98/54/77/1366985477.db2.gz VBKAHETYFODRNA-NEWSRXKRSA-N 1 2 346.421 3.380 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H](C)CN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001109203778 1366999677 /nfs/dbraw/zinc/99/96/77/1366999677.db2.gz VUDXTLUCNGJCKB-ZBFHGGJFSA-N 1 2 344.503 3.207 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001109202597 1367000388 /nfs/dbraw/zinc/00/03/88/1367000388.db2.gz HWAJUJHFYYBTOW-GJZGRUSLSA-N 1 2 330.476 3.206 20 30 EGEDLO C=C1CCC(C(=O)N[C@H](C)CN(C)c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001109219503 1367009861 /nfs/dbraw/zinc/00/98/61/1367009861.db2.gz LEICDAFIIXRJLA-OAHLLOKOSA-N 1 2 342.487 3.350 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1csnn1)CC2 ZINC001107514621 1367012505 /nfs/dbraw/zinc/01/25/05/1367012505.db2.gz OPKVFRMBHRDMBD-YXJHDRRASA-N 1 2 348.516 3.001 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1csnn1)CC2 ZINC001107514621 1367012511 /nfs/dbraw/zinc/01/25/11/1367012511.db2.gz OPKVFRMBHRDMBD-YXJHDRRASA-N 1 2 348.516 3.001 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H](C)CN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001109225589 1367013143 /nfs/dbraw/zinc/01/31/43/1367013143.db2.gz QKJDTDCIRCXFSE-JLTOFOAXSA-N 1 2 344.503 3.207 20 30 EGEDLO CCCCCCCCOCC(=O)NC/C=C\CNc1cc[nH+]c(C)n1 ZINC001107564817 1367046751 /nfs/dbraw/zinc/04/67/51/1367046751.db2.gz HLMYHONVTKVYHB-HJWRWDBZSA-N 1 2 348.491 3.246 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001109329100 1367055992 /nfs/dbraw/zinc/05/59/92/1367055992.db2.gz LVOBUYJGLAEPNL-IKGGRYGDSA-N 1 2 345.512 3.441 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001109329100 1367055997 /nfs/dbraw/zinc/05/59/97/1367055997.db2.gz LVOBUYJGLAEPNL-IKGGRYGDSA-N 1 2 345.512 3.441 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001109342957 1367069714 /nfs/dbraw/zinc/06/97/14/1367069714.db2.gz BWHFSKLRZUXEML-ILXRZTDVSA-N 1 2 333.501 3.275 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001109342957 1367069719 /nfs/dbraw/zinc/06/97/19/1367069719.db2.gz BWHFSKLRZUXEML-ILXRZTDVSA-N 1 2 333.501 3.275 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CCCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC001109348387 1367078009 /nfs/dbraw/zinc/07/80/09/1367078009.db2.gz FRWARLACEJIJSI-ZWKOTPCHSA-N 1 2 342.487 3.456 20 30 EGEDLO C#CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2c(F)cccc2Cl)C1 ZINC001189910954 1367129541 /nfs/dbraw/zinc/12/95/41/1367129541.db2.gz VGJIJKSLNGHDDQ-CQSZACIVSA-N 1 2 336.838 3.315 20 30 EGEDLO C#CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2c(F)cccc2Cl)C1 ZINC001189910954 1367129546 /nfs/dbraw/zinc/12/95/46/1367129546.db2.gz VGJIJKSLNGHDDQ-CQSZACIVSA-N 1 2 336.838 3.315 20 30 EGEDLO C=CC[C@@H](C(=O)N(C)CCCNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001109457665 1367132225 /nfs/dbraw/zinc/13/22/25/1367132225.db2.gz CVZRAQVAVBOJSD-GOSISDBHSA-N 1 2 338.455 3.405 20 30 EGEDLO C#CCCCC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC001189925946 1367132607 /nfs/dbraw/zinc/13/26/07/1367132607.db2.gz INYVIDLOSRUPDY-HOTGVXAUSA-N 1 2 345.487 3.369 20 30 EGEDLO C#CCCCC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC001189925946 1367132612 /nfs/dbraw/zinc/13/26/12/1367132612.db2.gz INYVIDLOSRUPDY-HOTGVXAUSA-N 1 2 345.487 3.369 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@@H]([N@H+](C)Cc2c(F)cccc2Cl)C1 ZINC001190047839 1367160583 /nfs/dbraw/zinc/16/05/83/1367160583.db2.gz XDKARKWPPATAFC-CQSZACIVSA-N 1 2 336.838 3.171 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@@H]([N@@H+](C)Cc2c(F)cccc2Cl)C1 ZINC001190047839 1367160590 /nfs/dbraw/zinc/16/05/90/1367160590.db2.gz XDKARKWPPATAFC-CQSZACIVSA-N 1 2 336.838 3.171 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(C)c(F)c2)CCO1 ZINC001107976200 1367226773 /nfs/dbraw/zinc/22/67/73/1367226773.db2.gz GCRIMDPKDGYPCO-FQEVSTJZSA-N 1 2 348.462 3.198 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(C)c(F)c2)CCO1 ZINC001107976200 1367226776 /nfs/dbraw/zinc/22/67/76/1367226776.db2.gz GCRIMDPKDGYPCO-FQEVSTJZSA-N 1 2 348.462 3.198 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(CC)o2)C1 ZINC001190327171 1367227828 /nfs/dbraw/zinc/22/78/28/1367227828.db2.gz BYVUKKQACJWZDS-INIZCTEOSA-N 1 2 331.460 3.038 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(CC)o2)C1 ZINC001190327171 1367227832 /nfs/dbraw/zinc/22/78/32/1367227832.db2.gz BYVUKKQACJWZDS-INIZCTEOSA-N 1 2 331.460 3.038 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2nc(C(C)C)no2)C1 ZINC001190391251 1367250758 /nfs/dbraw/zinc/25/07/58/1367250758.db2.gz YAFCUXFEUZXWPY-LSDHHAIUSA-N 1 2 348.491 3.389 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2nc(C(C)C)no2)C1 ZINC001190391251 1367250763 /nfs/dbraw/zinc/25/07/63/1367250763.db2.gz YAFCUXFEUZXWPY-LSDHHAIUSA-N 1 2 348.491 3.389 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(CCCC)cc2)C1 ZINC001108059469 1367261555 /nfs/dbraw/zinc/26/15/55/1367261555.db2.gz MHHRUWXCSHTTEP-HXUWFJFHSA-N 1 2 330.472 3.036 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(CCCC)cc2)C1 ZINC001108059469 1367261557 /nfs/dbraw/zinc/26/15/57/1367261557.db2.gz MHHRUWXCSHTTEP-HXUWFJFHSA-N 1 2 330.472 3.036 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C(C)(C)C)on2)C1 ZINC001190428959 1367263398 /nfs/dbraw/zinc/26/33/98/1367263398.db2.gz RNRGNNJAZGCLSH-MRXNPFEDSA-N 1 2 333.476 3.361 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C(C)(C)C)on2)C1 ZINC001190428959 1367263403 /nfs/dbraw/zinc/26/34/03/1367263403.db2.gz RNRGNNJAZGCLSH-MRXNPFEDSA-N 1 2 333.476 3.361 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N1CC[C@H]([N@H+](C)CC=C(Cl)Cl)C1)OCC ZINC001190445091 1367267116 /nfs/dbraw/zinc/26/71/16/1367267116.db2.gz URAUEAOOPRTMGM-UONOGXRCSA-N 1 2 349.302 3.209 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N1CC[C@H]([N@@H+](C)CC=C(Cl)Cl)C1)OCC ZINC001190445091 1367267120 /nfs/dbraw/zinc/26/71/20/1367267120.db2.gz URAUEAOOPRTMGM-UONOGXRCSA-N 1 2 349.302 3.209 20 30 EGEDLO N#Cc1ccc(F)c(S(=O)(=O)Nc2cc[nH+]c(C3CCC3)c2)c1 ZINC001190619664 1367309769 /nfs/dbraw/zinc/30/97/69/1367309769.db2.gz YLCHAHATPPWILC-UHFFFAOYSA-N 1 2 331.372 3.161 20 30 EGEDLO CC(C)c1cc(NC[C@@H](NC(=O)[C@H](C)C#N)C2CC2)nc(C(C)C)[nH+]1 ZINC001109795888 1367327389 /nfs/dbraw/zinc/32/73/89/1367327389.db2.gz LJRDIWNCULFTMN-CZUORRHYSA-N 1 2 343.475 3.190 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@]2(C)C[N@H+](Cc3ccsc3)CCO2)CC1 ZINC001108185736 1367329116 /nfs/dbraw/zinc/32/91/16/1367329116.db2.gz DKOJYVKIXLYVBB-IBGZPJMESA-N 1 2 348.512 3.202 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@]2(C)C[N@@H+](Cc3ccsc3)CCO2)CC1 ZINC001108185736 1367329118 /nfs/dbraw/zinc/32/91/18/1367329118.db2.gz DKOJYVKIXLYVBB-IBGZPJMESA-N 1 2 348.512 3.202 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CCC)CC2CCCC2)C1 ZINC001108257856 1367368569 /nfs/dbraw/zinc/36/85/69/1367368569.db2.gz NDWVXBMUEFSYKV-ICSRJNTNSA-N 1 2 336.520 3.376 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CCC)CC2CCCC2)C1 ZINC001108257856 1367368573 /nfs/dbraw/zinc/36/85/73/1367368573.db2.gz NDWVXBMUEFSYKV-ICSRJNTNSA-N 1 2 336.520 3.376 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C)CCc2ccccc2)C1 ZINC001108432024 1367456237 /nfs/dbraw/zinc/45/62/37/1367456237.db2.gz ADWGYBOZWQQDNO-RXVVDRJESA-N 1 2 344.499 3.039 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C)CCc2ccccc2)C1 ZINC001108432024 1367456241 /nfs/dbraw/zinc/45/62/41/1367456241.db2.gz ADWGYBOZWQQDNO-RXVVDRJESA-N 1 2 344.499 3.039 20 30 EGEDLO C=CCC[C@H](C(=O)N[C@@H](C)CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001108435070 1367457023 /nfs/dbraw/zinc/45/70/23/1367457023.db2.gz IIBSBGWBJZOSIV-YJBOKZPZSA-N 1 2 338.455 3.452 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccc(CC)cc1)C2 ZINC001110060305 1367489061 /nfs/dbraw/zinc/48/90/61/1367489061.db2.gz LJROPOBAMWSMBO-NJAFHUGGSA-N 1 2 348.874 3.102 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccc(CC)cc1)C2 ZINC001110060305 1367489066 /nfs/dbraw/zinc/48/90/66/1367489066.db2.gz LJROPOBAMWSMBO-NJAFHUGGSA-N 1 2 348.874 3.102 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)CC(C)=C(C)C)C1 ZINC001191764127 1367580673 /nfs/dbraw/zinc/58/06/73/1367580673.db2.gz RJHLXIRFQBGIOD-AWEZNQCLSA-N 1 2 329.282 3.174 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)CC(C)=C(C)C)C1 ZINC001191764127 1367580677 /nfs/dbraw/zinc/58/06/77/1367580677.db2.gz RJHLXIRFQBGIOD-AWEZNQCLSA-N 1 2 329.282 3.174 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2csc(C)n2)C1 ZINC001191764475 1367580888 /nfs/dbraw/zinc/58/08/88/1367580888.db2.gz UHLYHNRLTRGWPQ-QGZVFWFLSA-N 1 2 333.501 3.068 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2csc(C)n2)C1 ZINC001191764475 1367580891 /nfs/dbraw/zinc/58/08/91/1367580891.db2.gz UHLYHNRLTRGWPQ-QGZVFWFLSA-N 1 2 333.501 3.068 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2csc(CCC)n2)C1 ZINC001191840676 1367608980 /nfs/dbraw/zinc/60/89/80/1367608980.db2.gz ZMQMCKMEUFEBQF-KRWDZBQOSA-N 1 2 347.528 3.322 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2csc(CCC)n2)C1 ZINC001191840676 1367608985 /nfs/dbraw/zinc/60/89/85/1367608985.db2.gz ZMQMCKMEUFEBQF-KRWDZBQOSA-N 1 2 347.528 3.322 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2ccncc2Cl)C1 ZINC001191868310 1367622574 /nfs/dbraw/zinc/62/25/74/1367622574.db2.gz RMJUZYTVGIJPHG-HOCLYGCPSA-N 1 2 335.879 3.370 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccncc2Cl)C1 ZINC001191868310 1367622580 /nfs/dbraw/zinc/62/25/80/1367622580.db2.gz RMJUZYTVGIJPHG-HOCLYGCPSA-N 1 2 335.879 3.370 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2ncoc2C(C)C)C1 ZINC001191891069 1367628499 /nfs/dbraw/zinc/62/84/99/1367628499.db2.gz WWPWYWVRCGOZSK-CVEARBPZSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ncoc2C(C)C)C1 ZINC001191891069 1367628514 /nfs/dbraw/zinc/62/85/14/1367628514.db2.gz WWPWYWVRCGOZSK-CVEARBPZSA-N 1 2 333.476 3.433 20 30 EGEDLO C#Cc1ccc(C(=O)NCC2(Nc3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC001110308312 1367629169 /nfs/dbraw/zinc/62/91/69/1367629169.db2.gz STEHAFATFATVBX-UHFFFAOYSA-N 1 2 348.450 3.264 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H](C)CN(C)c1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001108939064 1367673215 /nfs/dbraw/zinc/67/32/15/1367673215.db2.gz NMTWRPQWVHQXAY-INIZCTEOSA-N 1 2 344.503 3.324 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3nc(C)cs3)C2)CCC1 ZINC001192218764 1367721498 /nfs/dbraw/zinc/72/14/98/1367721498.db2.gz WAOJWDOYMHAKRT-OAHLLOKOSA-N 1 2 333.501 3.231 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3nc(C)cs3)C2)CCC1 ZINC001192218764 1367721502 /nfs/dbraw/zinc/72/15/02/1367721502.db2.gz WAOJWDOYMHAKRT-OAHLLOKOSA-N 1 2 333.501 3.231 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3nc(C)oc3C)C2)CCC1 ZINC001192225837 1367723443 /nfs/dbraw/zinc/72/34/43/1367723443.db2.gz COGJBRSQDGSASD-INIZCTEOSA-N 1 2 331.460 3.071 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3nc(C)oc3C)C2)CCC1 ZINC001192225837 1367723449 /nfs/dbraw/zinc/72/34/49/1367723449.db2.gz COGJBRSQDGSASD-INIZCTEOSA-N 1 2 331.460 3.071 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1cc(F)ccc1F ZINC001110539259 1367818643 /nfs/dbraw/zinc/81/86/43/1367818643.db2.gz LOBNKJMYBOEGCF-LRHNDGHRSA-N 1 2 346.421 3.407 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1cc(F)ccc1F ZINC001110539259 1367818647 /nfs/dbraw/zinc/81/86/47/1367818647.db2.gz LOBNKJMYBOEGCF-LRHNDGHRSA-N 1 2 346.421 3.407 20 30 EGEDLO CC(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110597398 1367858914 /nfs/dbraw/zinc/85/89/14/1367858914.db2.gz AZDDMHRYNLDYOE-QRVBRYPASA-N 1 2 339.483 3.462 20 30 EGEDLO CC(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110597398 1367858918 /nfs/dbraw/zinc/85/89/18/1367858918.db2.gz AZDDMHRYNLDYOE-QRVBRYPASA-N 1 2 339.483 3.462 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H](CNc1cc[nH+]c(C)n1)C1CCCC1 ZINC001110674060 1367914136 /nfs/dbraw/zinc/91/41/36/1367914136.db2.gz CEXVDOGUDWAZHY-MRXNPFEDSA-N 1 2 330.476 3.474 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@]1(C)CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001110808751 1368003891 /nfs/dbraw/zinc/00/38/91/1368003891.db2.gz CUMSULDYAUGXNM-DJJJIMSYSA-N 1 2 330.476 3.089 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)cs1 ZINC001110932896 1368103147 /nfs/dbraw/zinc/10/31/47/1368103147.db2.gz BWQHFHNCUTYNDW-MIGQKNRLSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001110932896 1368103150 /nfs/dbraw/zinc/10/31/50/1368103150.db2.gz BWQHFHNCUTYNDW-MIGQKNRLSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C1CCC(C(=O)NC[C@]2(C)CCCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001110957204 1368123412 /nfs/dbraw/zinc/12/34/12/1368123412.db2.gz KWNHGEJMXDZQKQ-FQEVSTJZSA-N 1 2 342.487 3.254 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1cccs1)C2 ZINC001111081102 1368154124 /nfs/dbraw/zinc/15/41/24/1368154124.db2.gz HEHKQIBAXPPUPB-ZCDTZLGTSA-N 1 2 338.904 3.401 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1cccs1)C2 ZINC001111081102 1368154127 /nfs/dbraw/zinc/15/41/27/1368154127.db2.gz HEHKQIBAXPPUPB-ZCDTZLGTSA-N 1 2 338.904 3.401 20 30 EGEDLO C=CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cc(C)[nH+]c(C(C)C)n1)C2 ZINC001111150923 1368166648 /nfs/dbraw/zinc/16/66/48/1368166648.db2.gz UBJVKRJCVWQYJR-ULQDDVLXSA-N 1 2 342.487 3.348 20 30 EGEDLO Cc1cc(N[C@H](C)[C@H]2CCN(C(=O)C#CC(C)C)C2)nc(C(C)C)[nH+]1 ZINC001111216067 1368194619 /nfs/dbraw/zinc/19/46/19/1368194619.db2.gz NHNNFKLNYRVIBL-SJORKVTESA-N 1 2 342.487 3.217 20 30 EGEDLO C#CCCCC(=O)N1CC[C@@H]([C@@H](C)Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001111215649 1368194754 /nfs/dbraw/zinc/19/47/54/1368194754.db2.gz HCNNAHHTYRWWMZ-IAGOWNOFSA-N 1 2 342.487 3.361 20 30 EGEDLO C=CCOC(=O)NC1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC001194343545 1368238295 /nfs/dbraw/zinc/23/82/95/1368238295.db2.gz YNXHCEMOXDYSOY-UHFFFAOYSA-N 1 2 326.799 3.356 20 30 EGEDLO C=CCCCC(=O)N1C[C@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@H]2C1 ZINC001111306785 1368261466 /nfs/dbraw/zinc/26/14/66/1368261466.db2.gz VOGZVJKICBEDJT-CALCHBBNSA-N 1 2 342.487 3.159 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1)C2 ZINC001111368348 1368273909 /nfs/dbraw/zinc/27/39/09/1368273909.db2.gz XHFZQCONPUKPSC-AHCXZYCDSA-N 1 2 348.874 3.236 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1)C2 ZINC001111368348 1368273914 /nfs/dbraw/zinc/27/39/14/1368273914.db2.gz XHFZQCONPUKPSC-AHCXZYCDSA-N 1 2 348.874 3.236 20 30 EGEDLO CCCCCC(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001194855642 1368335255 /nfs/dbraw/zinc/33/52/55/1368335255.db2.gz DWGWCAOFQTXQNB-UHFFFAOYSA-N 1 2 331.435 3.312 20 30 EGEDLO CCCCCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001194855642 1368335259 /nfs/dbraw/zinc/33/52/59/1368335259.db2.gz DWGWCAOFQTXQNB-UHFFFAOYSA-N 1 2 331.435 3.312 20 30 EGEDLO CC(C)(C)/C=C\C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001195355785 1368427652 /nfs/dbraw/zinc/42/76/52/1368427652.db2.gz DFNDZVKLVREYEI-KTKRTIGZSA-N 1 2 325.456 3.195 20 30 EGEDLO CC(C)(C)/C=C\C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001195355785 1368427655 /nfs/dbraw/zinc/42/76/55/1368427655.db2.gz DFNDZVKLVREYEI-KTKRTIGZSA-N 1 2 325.456 3.195 20 30 EGEDLO C#CCCCCC(=O)N1CCC[N@@H+](Cc2ccc(F)c(F)c2)CC1 ZINC001195540991 1368451825 /nfs/dbraw/zinc/45/18/25/1368451825.db2.gz KULMTRFCCNCQEG-UHFFFAOYSA-N 1 2 334.410 3.193 20 30 EGEDLO C#CCCCCC(=O)N1CCC[N@H+](Cc2ccc(F)c(F)c2)CC1 ZINC001195540991 1368451826 /nfs/dbraw/zinc/45/18/26/1368451826.db2.gz KULMTRFCCNCQEG-UHFFFAOYSA-N 1 2 334.410 3.193 20 30 EGEDLO CCCCCCCCC(=O)N1CCO[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001111946606 1368569553 /nfs/dbraw/zinc/56/95/53/1368569553.db2.gz DTKCRBGJWOXTPL-QGZVFWFLSA-N 1 2 348.491 3.175 20 30 EGEDLO N#Cc1ccccc1NC(=S)NCc1c[nH+]cn1CC1CCC1 ZINC001196346122 1368594519 /nfs/dbraw/zinc/59/45/19/1368594519.db2.gz ORNLSCSKCZIJPY-UHFFFAOYSA-N 1 2 325.441 3.041 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001112002230 1368606645 /nfs/dbraw/zinc/60/66/45/1368606645.db2.gz WOQZAAIJPIGJOF-QGZVFWFLSA-N 1 2 328.460 3.029 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001112009341 1368613821 /nfs/dbraw/zinc/61/38/21/1368613821.db2.gz YXUMMUJNABCVRB-RDTXWAMCSA-N 1 2 344.503 3.479 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[N@@H+](Cc2nc(C)c(C)s2)CC1 ZINC001196769320 1368680311 /nfs/dbraw/zinc/68/03/11/1368680311.db2.gz BUYRYPHRWLMYPB-UHFFFAOYSA-N 1 2 347.528 3.378 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[N@H+](Cc2nc(C)c(C)s2)CC1 ZINC001196769320 1368680314 /nfs/dbraw/zinc/68/03/14/1368680314.db2.gz BUYRYPHRWLMYPB-UHFFFAOYSA-N 1 2 347.528 3.378 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2nc3ccccc3o2)CC1 ZINC001196853107 1368698871 /nfs/dbraw/zinc/69/88/71/1368698871.db2.gz HCERSYKJZTZWQH-HOTGVXAUSA-N 1 2 341.455 3.320 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2nc3ccccc3o2)CC1 ZINC001196853107 1368698874 /nfs/dbraw/zinc/69/88/74/1368698874.db2.gz HCERSYKJZTZWQH-HOTGVXAUSA-N 1 2 341.455 3.320 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001196854875 1368699677 /nfs/dbraw/zinc/69/96/77/1368699677.db2.gz UNSDKBHISRYJKD-HOTGVXAUSA-N 1 2 343.446 3.190 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001196854875 1368699680 /nfs/dbraw/zinc/69/96/80/1368699680.db2.gz UNSDKBHISRYJKD-HOTGVXAUSA-N 1 2 343.446 3.190 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001196880489 1368705471 /nfs/dbraw/zinc/70/54/71/1368705471.db2.gz KXWYRQZWVHUDPY-MRXNPFEDSA-N 1 2 343.446 3.334 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001196880489 1368705475 /nfs/dbraw/zinc/70/54/75/1368705475.db2.gz KXWYRQZWVHUDPY-MRXNPFEDSA-N 1 2 343.446 3.334 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001196901363 1368711062 /nfs/dbraw/zinc/71/10/62/1368711062.db2.gz NJDRVNYMYOEJME-INIZCTEOSA-N 1 2 343.446 3.334 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001196901363 1368711063 /nfs/dbraw/zinc/71/10/63/1368711063.db2.gz NJDRVNYMYOEJME-INIZCTEOSA-N 1 2 343.446 3.334 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@H+](Cc3ccccc3C#N)CC2)CCC1 ZINC001197055731 1368736437 /nfs/dbraw/zinc/73/64/37/1368736437.db2.gz XTALJPUXLWPVIF-UHFFFAOYSA-N 1 2 337.467 3.339 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@@H+](Cc3ccccc3C#N)CC2)CCC1 ZINC001197055731 1368736439 /nfs/dbraw/zinc/73/64/39/1368736439.db2.gz XTALJPUXLWPVIF-UHFFFAOYSA-N 1 2 337.467 3.339 20 30 EGEDLO C#CCCCCC(=O)N1C[C@@H](C)[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001112309179 1368759237 /nfs/dbraw/zinc/75/92/37/1368759237.db2.gz VHSUPQLNCUTSBH-PBHICJAKSA-N 1 2 340.471 3.115 20 30 EGEDLO Cc1cc(NC2(C)CCN(C(=O)C#CC(C)C)CC2)nc(C2CC2)[nH+]1 ZINC001112349798 1368783749 /nfs/dbraw/zinc/78/37/49/1368783749.db2.gz UVSYWVAOHGKCDU-UHFFFAOYSA-N 1 2 340.471 3.115 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001112424823 1368840075 /nfs/dbraw/zinc/84/00/75/1368840075.db2.gz UFEKCGVDHXQULC-RHSMWYFYSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]2CC1 ZINC001112444952 1368858873 /nfs/dbraw/zinc/85/88/73/1368858873.db2.gz ZANJIXRUOJSXAN-CALCHBBNSA-N 1 2 342.487 3.062 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCN(c2nc(C)[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC001112476560 1368875182 /nfs/dbraw/zinc/87/51/82/1368875182.db2.gz KSTSXQYGSCCDDQ-GOEBONIOSA-N 1 2 342.487 3.104 20 30 EGEDLO C=C[C@H](CC)CC(=O)N(C)[C@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001112633402 1368963605 /nfs/dbraw/zinc/96/36/05/1368963605.db2.gz KFLZQNFUWIULIF-SJORKVTESA-N 1 2 330.476 3.205 20 30 EGEDLO C#CCCCCC(=O)N1CC[NH+](Cc2ccc(C(C)C)nc2C)CC1 ZINC001112772939 1368994155 /nfs/dbraw/zinc/99/41/55/1368994155.db2.gz UGAIXOZJXRRIMQ-UHFFFAOYSA-N 1 2 341.499 3.351 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H]1CN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001112782830 1369000715 /nfs/dbraw/zinc/00/07/15/1369000715.db2.gz GXJXGLIBAKRLCQ-INIZCTEOSA-N 1 2 342.487 3.057 20 30 EGEDLO C=CC(C)(C)C(=O)NC1CC(CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001112863987 1369055290 /nfs/dbraw/zinc/05/52/90/1369055290.db2.gz LRAJPDSMYPZPTI-UHFFFAOYSA-N 1 2 342.487 3.183 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[NH+](Cc2ccc(C)c(OC)c2)CC1 ZINC001112885613 1369068671 /nfs/dbraw/zinc/06/86/71/1369068671.db2.gz HYZWNERDDAONLF-UHFFFAOYSA-N 1 2 342.483 3.416 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)CC1CCC1)c1ccccc1OC ZINC001198636806 1369079375 /nfs/dbraw/zinc/07/93/75/1369079375.db2.gz MNMMJJXJOZELMM-INIZCTEOSA-N 1 2 336.863 3.385 20 30 EGEDLO C=C(C)CCC(=O)N1CC[NH+](CCOc2cc(C)cc(C)c2)CC1 ZINC001112904066 1369082593 /nfs/dbraw/zinc/08/25/93/1369082593.db2.gz DBMPSDUGTIOOLJ-UHFFFAOYSA-N 1 2 330.472 3.183 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H](F)C(C)C)c1ccccc1OC ZINC001198843593 1369128324 /nfs/dbraw/zinc/12/83/24/1369128324.db2.gz UFFJJYSXNWCZBJ-HOCLYGCPSA-N 1 2 342.842 3.189 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CC12CCC2)c1ccccc1OC ZINC001198916412 1369148674 /nfs/dbraw/zinc/14/86/74/1369148674.db2.gz NDANWLXVWBJRQG-JKSUJKDBSA-N 1 2 348.874 3.385 20 30 EGEDLO C=C(C)CCC(=O)N[C@H](C)[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001113194363 1369256785 /nfs/dbraw/zinc/25/67/85/1369256785.db2.gz QPDRFFKELBJDKE-KGLIPLIRSA-N 1 2 330.476 3.325 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC[NH+](CCOC2CCCCCC2)CC1 ZINC001113228933 1369276582 /nfs/dbraw/zinc/27/65/82/1369276582.db2.gz AAIXIZHORWSUBT-ROUUACIJSA-N 1 2 336.520 3.328 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001113229747 1369277549 /nfs/dbraw/zinc/27/75/49/1369277549.db2.gz QDHQLDYYLYWFKJ-DLBZAZTESA-N 1 2 330.472 3.106 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC001113246138 1369289160 /nfs/dbraw/zinc/28/91/60/1369289160.db2.gz HYUOHMGTVDCJPF-OAHLLOKOSA-N 1 2 336.426 3.254 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](CCOc2cc(C)ccc2C)CC1 ZINC001113246659 1369289623 /nfs/dbraw/zinc/28/96/23/1369289623.db2.gz QOYJARMDUGNELE-IBGZPJMESA-N 1 2 344.499 3.429 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H](C)[C@@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001113285872 1369318310 /nfs/dbraw/zinc/31/83/10/1369318310.db2.gz FWGFTFOMZAGBHQ-KGLIPLIRSA-N 1 2 328.460 3.324 20 30 EGEDLO C=CCCC1(C(=O)N2CC[NH+](Cc3cccc(OC)c3)CC2)CC1 ZINC001113310351 1369336909 /nfs/dbraw/zinc/33/69/09/1369336909.db2.gz CZHXUJJRFIQSNK-UHFFFAOYSA-N 1 2 328.456 3.086 20 30 EGEDLO C=CCCC1(C(=O)N2CC[NH+](CCc3ccccc3F)CC2)CC1 ZINC001113312762 1369339610 /nfs/dbraw/zinc/33/96/10/1369339610.db2.gz MXOXHXQWEKFPTL-UHFFFAOYSA-N 1 2 330.447 3.259 20 30 EGEDLO C=CCOCC[NH+]1CCN(C(=O)c2oc3ccccc3c2Cl)CC1 ZINC001113531432 1369480854 /nfs/dbraw/zinc/48/08/54/1369480854.db2.gz NVXOSNDVLBLACP-UHFFFAOYSA-N 1 2 348.830 3.047 20 30 EGEDLO C=C[C@@H](CC(=O)N1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC001113667028 1369553861 /nfs/dbraw/zinc/55/38/61/1369553861.db2.gz LDSFEXGUDJQJBH-HNNXBMFYSA-N 1 2 340.389 3.443 20 30 EGEDLO C=CCCOCC(=O)N1CC[NH+]([C@H](CC)c2ccc(F)cc2)CC1 ZINC001113709978 1369580301 /nfs/dbraw/zinc/58/03/01/1369580301.db2.gz AGRCNCJWZXUDCB-GOSISDBHSA-N 1 2 334.435 3.014 20 30 EGEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(C3=CCCC3)cc2)CC1 ZINC001113747253 1369599726 /nfs/dbraw/zinc/59/97/26/1369599726.db2.gz NHVPCJLSZRIASA-UHFFFAOYSA-N 1 2 340.467 3.214 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001113822369 1369623508 /nfs/dbraw/zinc/62/35/08/1369623508.db2.gz OWQWDDWGAFVPDQ-JKSUJKDBSA-N 1 2 332.492 3.452 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001113823012 1369624292 /nfs/dbraw/zinc/62/42/92/1369624292.db2.gz YEMAJLVYAFQCMT-LSDHHAIUSA-N 1 2 330.476 3.206 20 30 EGEDLO Cc1cc(N[C@@H](CCN(C)C(=O)[C@@H](C)C#N)C(C)C)nc(C(C)C)[nH+]1 ZINC001114084175 1369725013 /nfs/dbraw/zinc/72/50/13/1369725013.db2.gz HPKYEXWUOOYONG-HOCLYGCPSA-N 1 2 345.491 3.353 20 30 EGEDLO Cc1cc(N[C@H](CCN(C)C(=O)[C@@H](C)C#N)C(C)C)nc(C2CC2)[nH+]1 ZINC001114085266 1369725913 /nfs/dbraw/zinc/72/59/13/1369725913.db2.gz VDAIGLBLYIHUNP-XJKSGUPXSA-N 1 2 343.475 3.107 20 30 EGEDLO C#CCC1(C(=O)N[C@H](CCCC)CNc2cc[nH+]c(C)n2)CCC1 ZINC001114286132 1369851732 /nfs/dbraw/zinc/85/17/32/1369851732.db2.gz GQRIGFVNEPNJKN-MRXNPFEDSA-N 1 2 328.460 3.066 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1C[C@@H]([NH2+]CC(F)(F)C(F)F)C12CCC2 ZINC001202796651 1369896433 /nfs/dbraw/zinc/89/64/33/1369896433.db2.gz YYFQATFDUVYEQW-OLZOCXBDSA-N 1 2 348.384 3.097 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCCCCN1c1nc(C)[nH+]c(C)c1C ZINC001114370532 1369921524 /nfs/dbraw/zinc/92/15/24/1369921524.db2.gz IHLVQYZHUNCROG-KRWDZBQOSA-N 1 2 344.503 3.479 20 30 EGEDLO C#CCCCC(=O)N1C[C@@H](CNc2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001114685030 1370024455 /nfs/dbraw/zinc/02/44/55/1370024455.db2.gz NHGGKIFLWWBPSC-HZPDHXFCSA-N 1 2 340.471 3.115 20 30 EGEDLO C=CCC1(C(=O)NC2[C@H]3C[N@H+](C/C(Cl)=C/Cl)C[C@@H]23)CCC1 ZINC001114785421 1370079043 /nfs/dbraw/zinc/07/90/43/1370079043.db2.gz OCUZQACITFPQOE-JGVMYJEKSA-N 1 2 329.271 3.098 20 30 EGEDLO C=CCC1(C(=O)NC2[C@H]3C[N@@H+](C/C(Cl)=C/Cl)C[C@@H]23)CCC1 ZINC001114785421 1370079039 /nfs/dbraw/zinc/07/90/39/1370079039.db2.gz OCUZQACITFPQOE-JGVMYJEKSA-N 1 2 329.271 3.098 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC001114899562 1370137554 /nfs/dbraw/zinc/13/75/54/1370137554.db2.gz UQMPXGOHGVWKSA-ZSHCYNCHSA-N 1 2 345.512 3.169 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC001114899562 1370137561 /nfs/dbraw/zinc/13/75/61/1370137561.db2.gz UQMPXGOHGVWKSA-ZSHCYNCHSA-N 1 2 345.512 3.169 20 30 EGEDLO Cc1cc(NCCC[C@H](C)NC(=O)C#CC(C)C)nc(C(C)C)[nH+]1 ZINC001114926651 1370155504 /nfs/dbraw/zinc/15/55/04/1370155504.db2.gz YXKOPNHXECRNCB-HNNXBMFYSA-N 1 2 330.476 3.265 20 30 EGEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cc(F)ccc3F)C2)CC1 ZINC001204214077 1370410296 /nfs/dbraw/zinc/41/02/96/1370410296.db2.gz FLJFFSKKQPVUIS-UHFFFAOYSA-N 1 2 336.382 3.185 20 30 EGEDLO C=CCOC(=O)N1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC001204433544 1370475982 /nfs/dbraw/zinc/47/59/82/1370475982.db2.gz BSPKVZPZEURZFX-UHFFFAOYSA-N 1 2 344.333 3.025 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001204446957 1370479176 /nfs/dbraw/zinc/47/91/76/1370479176.db2.gz YJAYMEXJNFVUES-GOSISDBHSA-N 1 2 339.464 3.263 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001204446957 1370479178 /nfs/dbraw/zinc/47/91/78/1370479178.db2.gz YJAYMEXJNFVUES-GOSISDBHSA-N 1 2 339.464 3.263 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc2ccccc2n1 ZINC001204504512 1370496973 /nfs/dbraw/zinc/49/69/73/1370496973.db2.gz RMLBAINSCGRYSK-FQEVSTJZSA-N 1 2 348.450 3.270 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc2ccccc2n1 ZINC001204504512 1370496975 /nfs/dbraw/zinc/49/69/75/1370496975.db2.gz RMLBAINSCGRYSK-FQEVSTJZSA-N 1 2 348.450 3.270 20 30 EGEDLO C=C(C)CCC(=O)NCC1([NH2+]Cc2noc(CCC)n2)CCCCC1 ZINC001115556911 1370554717 /nfs/dbraw/zinc/55/47/17/1370554717.db2.gz IJYIAEYTZWFVKO-UHFFFAOYSA-N 1 2 348.491 3.287 20 30 EGEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)c(F)c1 ZINC001204928296 1370608429 /nfs/dbraw/zinc/60/84/29/1370608429.db2.gz KWMPLETZAYCZOP-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccc(F)c(C)c1)CC2 ZINC001205172499 1370670293 /nfs/dbraw/zinc/67/02/93/1370670293.db2.gz SXUOFAJCNPPECP-UHFFFAOYSA-N 1 2 329.419 3.129 20 30 EGEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccc(F)c(C)c1)CC2 ZINC001205172499 1370670296 /nfs/dbraw/zinc/67/02/96/1370670296.db2.gz SXUOFAJCNPPECP-UHFFFAOYSA-N 1 2 329.419 3.129 20 30 EGEDLO N#Cc1cc(CN2CC[NH+](Cc3ccccc3F)CC2)ccc1F ZINC001205478888 1370767510 /nfs/dbraw/zinc/76/75/10/1370767510.db2.gz DPPUHIJAXMVZTO-UHFFFAOYSA-N 1 2 327.378 3.154 20 30 EGEDLO CC[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206076138 1370955622 /nfs/dbraw/zinc/95/56/22/1370955622.db2.gz NTVPGJXZDYSBHK-HDMKZQKVSA-N 1 2 332.875 3.174 20 30 EGEDLO CC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206076138 1370955628 /nfs/dbraw/zinc/95/56/28/1370955628.db2.gz NTVPGJXZDYSBHK-HDMKZQKVSA-N 1 2 332.875 3.174 20 30 EGEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1c(Cl)nc2ccccn21 ZINC001117391625 1371041160 /nfs/dbraw/zinc/04/11/60/1371041160.db2.gz JXDURELBMLMMNC-HJWRWDBZSA-N 1 2 326.787 3.345 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)/C=C/C(C)(C)C ZINC001206651306 1371120369 /nfs/dbraw/zinc/12/03/69/1371120369.db2.gz NSNJISCFKIFPNI-WXVPVVBVSA-N 1 2 343.446 3.236 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)/C=C/C(C)(C)C ZINC001206651306 1371120373 /nfs/dbraw/zinc/12/03/73/1371120373.db2.gz NSNJISCFKIFPNI-WXVPVVBVSA-N 1 2 343.446 3.236 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)CCC1CCC1 ZINC001206809079 1371175921 /nfs/dbraw/zinc/17/59/21/1371175921.db2.gz PMXJQZQSGKWSAW-AUUYWEPGSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)CCC1CCC1 ZINC001206809079 1371175926 /nfs/dbraw/zinc/17/59/26/1371175926.db2.gz PMXJQZQSGKWSAW-AUUYWEPGSA-N 1 2 343.446 3.214 20 30 EGEDLO CCC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001207119435 1371299137 /nfs/dbraw/zinc/29/91/37/1371299137.db2.gz BDEYDSLAOKKFSL-RDTXWAMCSA-N 1 2 345.462 3.460 20 30 EGEDLO CCC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001207119435 1371299140 /nfs/dbraw/zinc/29/91/40/1371299140.db2.gz BDEYDSLAOKKFSL-RDTXWAMCSA-N 1 2 345.462 3.460 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccnn1C(C)C)CCO2 ZINC001207173345 1371321115 /nfs/dbraw/zinc/32/11/15/1371321115.db2.gz CAFGEOYDSXPZBM-IEBWSBKVSA-N 1 2 333.476 3.038 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1ccnn1C(C)C)CCO2 ZINC001207173345 1371321118 /nfs/dbraw/zinc/32/11/18/1371321118.db2.gz CAFGEOYDSXPZBM-IEBWSBKVSA-N 1 2 333.476 3.038 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc(C(C)C)no2)C[C@H]1C ZINC001207200425 1371327734 /nfs/dbraw/zinc/32/77/34/1371327734.db2.gz FLUKKRKPVQPIMD-QLFBSQMISA-N 1 2 334.464 3.047 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc(C(C)C)no2)C[C@H]1C ZINC001207200425 1371327736 /nfs/dbraw/zinc/32/77/36/1371327736.db2.gz FLUKKRKPVQPIMD-QLFBSQMISA-N 1 2 334.464 3.047 20 30 EGEDLO CCCCCCC/C=C/C[N@@H+]1CCn2nc(C(=O)OCC)nc2C1 ZINC001208119795 1371602535 /nfs/dbraw/zinc/60/25/35/1371602535.db2.gz HBSMMSGURGABOK-ZHACJKMWSA-N 1 2 334.464 3.187 20 30 EGEDLO CCCCCCC/C=C/C[N@H+]1CCn2nc(C(=O)OCC)nc2C1 ZINC001208119795 1371602537 /nfs/dbraw/zinc/60/25/37/1371602537.db2.gz HBSMMSGURGABOK-ZHACJKMWSA-N 1 2 334.464 3.187 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2nc(C(C)C)no2)C1 ZINC001208245232 1371680177 /nfs/dbraw/zinc/68/01/77/1371680177.db2.gz CYNOUQLJOKVIJK-HUUCEWRRSA-N 1 2 348.491 3.437 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001208392994 1371750385 /nfs/dbraw/zinc/75/03/85/1371750385.db2.gz ICDWRLKCPFLVOP-YRGRVCCFSA-N 1 2 341.908 3.335 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001208392994 1371750386 /nfs/dbraw/zinc/75/03/86/1371750386.db2.gz ICDWRLKCPFLVOP-YRGRVCCFSA-N 1 2 341.908 3.335 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001208393892 1371751322 /nfs/dbraw/zinc/75/13/22/1371751322.db2.gz ZCVROZCPUVIQJQ-IJEWVQPXSA-N 1 2 335.879 3.274 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)n2)C[C@H]1C ZINC001208393892 1371751323 /nfs/dbraw/zinc/75/13/23/1371751323.db2.gz ZCVROZCPUVIQJQ-IJEWVQPXSA-N 1 2 335.879 3.274 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001120768434 1371751881 /nfs/dbraw/zinc/75/18/81/1371751881.db2.gz XFWGUAXWUYGTHH-AEFFLSMTSA-N 1 2 336.863 3.042 20 30 EGEDLO N#Cc1ccc(N2CCC(n3cc[nH+]c3)CC2)c(F)c1Br ZINC001120811230 1371767736 /nfs/dbraw/zinc/76/77/36/1371767736.db2.gz WYWYHAPDRCJEKJ-UHFFFAOYSA-N 1 2 349.207 3.498 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001208508588 1371792869 /nfs/dbraw/zinc/79/28/69/1371792869.db2.gz ACAYFLWECUJARU-MUKKUYKPSA-N 1 2 331.460 3.091 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001208508588 1371792874 /nfs/dbraw/zinc/79/28/74/1371792874.db2.gz ACAYFLWECUJARU-MUKKUYKPSA-N 1 2 331.460 3.091 20 30 EGEDLO C=C(C)CCC(=O)NC1CC2(C1)CC([NH2+]CC(F)(F)C(F)F)C2 ZINC001121183970 1371882424 /nfs/dbraw/zinc/88/24/24/1371882424.db2.gz SALBRDABTXFVOY-UHFFFAOYSA-N 1 2 336.373 3.260 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2nc(CCCC)no2)C1 ZINC001209346984 1372073144 /nfs/dbraw/zinc/07/31/44/1372073144.db2.gz YITSVQBAIAOFFZ-JKSUJKDBSA-N 1 2 348.491 3.410 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2nc(C(C)C)no2)C1 ZINC001209346971 1372073827 /nfs/dbraw/zinc/07/38/27/1372073827.db2.gz XXFVTNBYHPHORR-HUUCEWRRSA-N 1 2 334.464 3.191 20 30 EGEDLO Cc1cc(Cl)ncc1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001209637070 1372158045 /nfs/dbraw/zinc/15/80/45/1372158045.db2.gz PIDPTEAMRBUUDL-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO COc1cc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)ccn1 ZINC001209645097 1372160663 /nfs/dbraw/zinc/16/06/63/1372160663.db2.gz QPGJQRQDZMCGLI-UHFFFAOYSA-N 1 2 325.387 3.287 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2nc(C3CC3)no2)C1 ZINC001209876142 1372220478 /nfs/dbraw/zinc/22/04/78/1372220478.db2.gz XAWQQBZBFRTGIL-DZGCQCFKSA-N 1 2 346.475 3.191 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nc(C3CC3)no2)C1 ZINC001209876145 1372220509 /nfs/dbraw/zinc/22/05/09/1372220509.db2.gz XAWQQBZBFRTGIL-ZFWWWQNUSA-N 1 2 346.475 3.191 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)Cc1ccccc1 ZINC001122528151 1372267111 /nfs/dbraw/zinc/26/71/11/1372267111.db2.gz NKMYEVDSIOPNNO-KRWDZBQOSA-N 1 2 325.460 3.257 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)Cc1ccccc1 ZINC001122528151 1372267115 /nfs/dbraw/zinc/26/71/15/1372267115.db2.gz NKMYEVDSIOPNNO-KRWDZBQOSA-N 1 2 325.460 3.257 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001122536399 1372268110 /nfs/dbraw/zinc/26/81/10/1372268110.db2.gz AYPGGSNWHYGTFQ-OAGGEKHMSA-N 1 2 349.548 3.341 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001122536399 1372268112 /nfs/dbraw/zinc/26/81/12/1372268112.db2.gz AYPGGSNWHYGTFQ-OAGGEKHMSA-N 1 2 349.548 3.341 20 30 EGEDLO C=C1[C@H]2C[C@H]2[C@]2(C)Cc3occ(C)c3[C@H](OCC[NH+]3CCOCC3)[C@@H]12 ZINC001210225769 1372297842 /nfs/dbraw/zinc/29/78/42/1372297842.db2.gz ZQBKVKOWIMMESD-GQFKRECVSA-N 1 2 343.467 3.362 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](CC)C(C)C)C1 ZINC001210416994 1372347230 /nfs/dbraw/zinc/34/72/30/1372347230.db2.gz XEDOIFAMUWYROT-BPLDGKMQSA-N 1 2 345.325 3.404 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](CC)C(C)C)C1 ZINC001210416994 1372347237 /nfs/dbraw/zinc/34/72/37/1372347237.db2.gz XEDOIFAMUWYROT-BPLDGKMQSA-N 1 2 345.325 3.404 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(CC)CC)C1 ZINC001211177676 1372494862 /nfs/dbraw/zinc/49/48/62/1372494862.db2.gz PPFLGBTVBVSNFK-DGCLKSJQSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(CC)CC)C1 ZINC001211177676 1372494864 /nfs/dbraw/zinc/49/48/64/1372494864.db2.gz PPFLGBTVBVSNFK-DGCLKSJQSA-N 1 2 331.298 3.158 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c3c2CCCC3)[C@@H]1C ZINC001123578183 1372514152 /nfs/dbraw/zinc/51/41/52/1372514152.db2.gz USFAFXHNBFLCSG-RHSMWYFYSA-N 1 2 342.487 3.104 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2ccccc2C)C1 ZINC001211399309 1372551003 /nfs/dbraw/zinc/55/10/03/1372551003.db2.gz NAMLNXAFFHZXFN-IIDMSEBBSA-N 1 2 334.891 3.363 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2ccccc2C)C1 ZINC001211399309 1372551006 /nfs/dbraw/zinc/55/10/06/1372551006.db2.gz NAMLNXAFFHZXFN-IIDMSEBBSA-N 1 2 334.891 3.363 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2cccc(F)c2)C1 ZINC001211435729 1372558129 /nfs/dbraw/zinc/55/81/29/1372558129.db2.gz JHUQXSLSUMICON-OGHNNQOOSA-N 1 2 338.854 3.193 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2cccc(F)c2)C1 ZINC001211435729 1372558134 /nfs/dbraw/zinc/55/81/34/1372558134.db2.gz JHUQXSLSUMICON-OGHNNQOOSA-N 1 2 338.854 3.193 20 30 EGEDLO N#Cc1c2c(sc1Nc1ccc[nH+]c1N1CCOCC1)CCCC2 ZINC001212349891 1372692017 /nfs/dbraw/zinc/69/20/17/1372692017.db2.gz KAXZMXXLEMJSER-UHFFFAOYSA-N 1 2 340.452 3.474 20 30 EGEDLO N#Cc1cnn(C2CCOCC2)c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212695257 1372755112 /nfs/dbraw/zinc/75/51/12/1372755112.db2.gz VZLKSIDTLTZVFH-UHFFFAOYSA-N 1 2 348.410 3.095 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@@H+](Cc3csc(C)n3)C[C@H]21 ZINC001188033032 1388222350 /nfs/dbraw/zinc/22/23/50/1388222350.db2.gz AYJREIMIAMYWMG-FUHWJXTLSA-N 1 2 345.512 3.253 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@H+](Cc3csc(C)n3)C[C@H]21 ZINC001188033032 1388222356 /nfs/dbraw/zinc/22/23/56/1388222356.db2.gz AYJREIMIAMYWMG-FUHWJXTLSA-N 1 2 345.512 3.253 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)s2)C[C@H]1OC ZINC001213350273 1372890016 /nfs/dbraw/zinc/89/00/16/1372890016.db2.gz OXVLGPMLMJOQIL-ZIAGYGMSSA-N 1 2 342.892 3.073 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)s2)C[C@H]1OC ZINC001213350273 1372890020 /nfs/dbraw/zinc/89/00/20/1372890020.db2.gz OXVLGPMLMJOQIL-ZIAGYGMSSA-N 1 2 342.892 3.073 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C(C)(C)C ZINC001126044957 1372918361 /nfs/dbraw/zinc/91/83/61/1372918361.db2.gz SFGNUYHWZYLQBK-INIZCTEOSA-N 1 2 330.476 3.312 20 30 EGEDLO C#CCCCC(=O)N(C)C1CC(Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001126940034 1373054392 /nfs/dbraw/zinc/05/43/92/1373054392.db2.gz CUCYJTSHFUCPTG-UHFFFAOYSA-N 1 2 328.460 3.113 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3nc(C(C)C)no3)C[C@H]21 ZINC001188087704 1388239530 /nfs/dbraw/zinc/23/95/30/1388239530.db2.gz XSDFKHAQOAPKHA-HRCADAONSA-N 1 2 346.475 3.143 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)c3nc(C(C)C)no3)C[C@H]21 ZINC001188087704 1388239536 /nfs/dbraw/zinc/23/95/36/1388239536.db2.gz XSDFKHAQOAPKHA-HRCADAONSA-N 1 2 346.475 3.143 20 30 EGEDLO C=CC(C)(C)CC(=O)NC1(C2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC001127134130 1373094798 /nfs/dbraw/zinc/09/47/98/1373094798.db2.gz KVUHIYNIQRVWTM-UHFFFAOYSA-N 1 2 342.487 3.253 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)C3CCCC3)c2C1 ZINC001128150669 1373224840 /nfs/dbraw/zinc/22/48/40/1373224840.db2.gz JJQGFHYZNAYARS-UHFFFAOYSA-N 1 2 346.519 3.476 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)C3CCCC3)c2C1 ZINC001128150669 1373224846 /nfs/dbraw/zinc/22/48/46/1373224846.db2.gz JJQGFHYZNAYARS-UHFFFAOYSA-N 1 2 346.519 3.476 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C3(C)CCCCCC3)c2C1 ZINC001128382416 1373259019 /nfs/dbraw/zinc/25/90/19/1373259019.db2.gz RZNIOOYJJCXNFO-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C3(C)CCCCCC3)c2C1 ZINC001128382416 1373259022 /nfs/dbraw/zinc/25/90/22/1373259022.db2.gz RZNIOOYJJCXNFO-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCc1cnn2c1C[N@H+](CC/C=C\CC)CC2 ZINC001128448515 1373269463 /nfs/dbraw/zinc/26/94/63/1373269463.db2.gz PMBSIPJJJCROPA-PRJTXATQSA-N 1 2 344.503 3.129 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCc1cnn2c1C[N@@H+](CC/C=C\CC)CC2 ZINC001128448515 1373269464 /nfs/dbraw/zinc/26/94/64/1373269464.db2.gz PMBSIPJJJCROPA-PRJTXATQSA-N 1 2 344.503 3.129 20 30 EGEDLO C=CCCCC(=O)NCc1cnn2c1C[N@H+](CC1=CCCCC1)CC2 ZINC001128463319 1373271532 /nfs/dbraw/zinc/27/15/32/1373271532.db2.gz GJXAVZNQAYXKBE-UHFFFAOYSA-N 1 2 342.487 3.172 20 30 EGEDLO C=CCCCC(=O)NCc1cnn2c1C[N@@H+](CC1=CCCCC1)CC2 ZINC001128463319 1373271538 /nfs/dbraw/zinc/27/15/38/1373271538.db2.gz GJXAVZNQAYXKBE-UHFFFAOYSA-N 1 2 342.487 3.172 20 30 EGEDLO Cc1nc(Nc2cccc(C#N)c2C)cc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC001216173629 1373274441 /nfs/dbraw/zinc/27/44/41/1373274441.db2.gz ZUHGBVGYRYGNCB-BETUJISGSA-N 1 2 337.427 3.322 20 30 EGEDLO C=CC1(CC(=O)NCc2cnn3c2C[N@H+](CCC)CC3)CCCCC1 ZINC001128517661 1373281426 /nfs/dbraw/zinc/28/14/26/1373281426.db2.gz POBXQYHUWYUNJV-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO C=CC1(CC(=O)NCc2cnn3c2C[N@@H+](CCC)CC3)CCCCC1 ZINC001128517661 1373281433 /nfs/dbraw/zinc/28/14/33/1373281433.db2.gz POBXQYHUWYUNJV-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO C=C(C)CCC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001218037177 1373544693 /nfs/dbraw/zinc/54/46/93/1373544693.db2.gz ISHQQALAYBOFAB-ZWKOTPCHSA-N 1 2 348.874 3.108 20 30 EGEDLO C=C(C)CCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001218037177 1373544697 /nfs/dbraw/zinc/54/46/97/1373544697.db2.gz ISHQQALAYBOFAB-ZWKOTPCHSA-N 1 2 348.874 3.108 20 30 EGEDLO C=C1CC(C)(C(=O)Nc2ccc(O[C@H]3CC[NH2+]CC3(F)F)cc2)C1 ZINC001219456284 1373710173 /nfs/dbraw/zinc/71/01/73/1373710173.db2.gz LMXMSLMPXKJMIH-HNNXBMFYSA-N 1 2 336.382 3.357 20 30 EGEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1cc2c(s1)SCC(=O)N2 ZINC001326689262 1388283500 /nfs/dbraw/zinc/28/35/00/1388283500.db2.gz FLSUKQSTXFBHKJ-AATRIKPKSA-N 1 2 345.449 3.149 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001131972044 1375076705 /nfs/dbraw/zinc/07/67/05/1375076705.db2.gz PBRBCLFQGKWUNV-RDJZCZTQSA-N 1 2 347.890 3.398 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001131972044 1375076708 /nfs/dbraw/zinc/07/67/08/1375076708.db2.gz PBRBCLFQGKWUNV-RDJZCZTQSA-N 1 2 347.890 3.398 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccncc2Cl)C1 ZINC001132002128 1375092352 /nfs/dbraw/zinc/09/23/52/1375092352.db2.gz HDQFRPOZPDMWKR-HOCLYGCPSA-N 1 2 333.863 3.008 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccncc2Cl)C1 ZINC001132002128 1375092355 /nfs/dbraw/zinc/09/23/55/1375092355.db2.gz HDQFRPOZPDMWKR-HOCLYGCPSA-N 1 2 333.863 3.008 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1cc(F)ccc1F ZINC001132033598 1375108526 /nfs/dbraw/zinc/10/85/26/1375108526.db2.gz IMJQFCOOSJXCGM-PBHICJAKSA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1cc(F)ccc1F ZINC001132033598 1375108529 /nfs/dbraw/zinc/10/85/29/1375108529.db2.gz IMJQFCOOSJXCGM-PBHICJAKSA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC001132045691 1375114513 /nfs/dbraw/zinc/11/45/13/1375114513.db2.gz HMWBFOKYOYAPJH-BBRMVZONSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC001132045691 1375114515 /nfs/dbraw/zinc/11/45/15/1375114515.db2.gz HMWBFOKYOYAPJH-BBRMVZONSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1cc(Cl)ccc1F ZINC001132045316 1375114619 /nfs/dbraw/zinc/11/46/19/1375114619.db2.gz DNUJDOBPZXPFDO-DYVFJYSZSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1cc(Cl)ccc1F ZINC001132045316 1375114621 /nfs/dbraw/zinc/11/46/21/1375114621.db2.gz DNUJDOBPZXPFDO-DYVFJYSZSA-N 1 2 348.849 3.362 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2(CCOCC)CCC2)CC[C@H]1C ZINC001132050868 1375118932 /nfs/dbraw/zinc/11/89/32/1375118932.db2.gz VCVGCQZASKRBLW-CVEARBPZSA-N 1 2 342.911 3.305 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2(CCOCC)CCC2)CC[C@H]1C ZINC001132050868 1375118935 /nfs/dbraw/zinc/11/89/35/1375118935.db2.gz VCVGCQZASKRBLW-CVEARBPZSA-N 1 2 342.911 3.305 20 30 EGEDLO CCCCC(=O)NC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC001226095902 1375203861 /nfs/dbraw/zinc/20/38/61/1375203861.db2.gz FTMZOBHJWALBCW-UHFFFAOYSA-N 1 2 332.875 3.462 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2csc(CC)n2)C1 ZINC001132228191 1375223893 /nfs/dbraw/zinc/22/38/93/1375223893.db2.gz NOUDBKXICSDKOR-KBPBESRZSA-N 1 2 335.517 3.387 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2csc(CC)n2)C1 ZINC001132228191 1375223898 /nfs/dbraw/zinc/22/38/98/1375223898.db2.gz NOUDBKXICSDKOR-KBPBESRZSA-N 1 2 335.517 3.387 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)CCCC#CC)CC[C@H]1C ZINC001132235502 1375230383 /nfs/dbraw/zinc/23/03/83/1375230383.db2.gz ONGNAAURYZYNKT-HUUCEWRRSA-N 1 2 341.293 3.058 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)CCCC#CC)CC[C@H]1C ZINC001132235502 1375230385 /nfs/dbraw/zinc/23/03/85/1375230385.db2.gz ONGNAAURYZYNKT-HUUCEWRRSA-N 1 2 341.293 3.058 20 30 EGEDLO C#C[C@H]1CCC[C@@H]1Oc1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001226564422 1375283424 /nfs/dbraw/zinc/28/34/24/1375283424.db2.gz CTENRPWSQFUWLE-PXNSSMCTSA-N 1 2 333.435 3.216 20 30 EGEDLO C#C[C@H]1CCC[C@@H]1Oc1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001226564422 1375283434 /nfs/dbraw/zinc/28/34/34/1375283434.db2.gz CTENRPWSQFUWLE-PXNSSMCTSA-N 1 2 333.435 3.216 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)oc2C)C1 ZINC001132332470 1375312688 /nfs/dbraw/zinc/31/26/88/1375312688.db2.gz UTBUIOOTXNTKSX-CZUORRHYSA-N 1 2 333.476 3.363 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2nc(C)oc2C)C1 ZINC001132332470 1375312691 /nfs/dbraw/zinc/31/26/91/1375312691.db2.gz UTBUIOOTXNTKSX-CZUORRHYSA-N 1 2 333.476 3.363 20 30 EGEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(OC(F)(F)F)c(Cl)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226853870 1375346964 /nfs/dbraw/zinc/34/69/64/1375346964.db2.gz CBSICYDDHCUUOR-LSVRBPJHSA-N 1 2 349.736 3.230 20 30 EGEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(OC(F)(F)F)c(Cl)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226853870 1375346970 /nfs/dbraw/zinc/34/69/70/1375346970.db2.gz CBSICYDDHCUUOR-LSVRBPJHSA-N 1 2 349.736 3.230 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCc2ccccn2)CC[C@H]1C ZINC001132435307 1375379965 /nfs/dbraw/zinc/37/99/65/1375379965.db2.gz BOPYXZGYZDPZNG-WBVHZDCISA-N 1 2 335.879 3.126 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCc2ccccn2)CC[C@H]1C ZINC001132435307 1375379967 /nfs/dbraw/zinc/37/99/67/1375379967.db2.gz BOPYXZGYZDPZNG-WBVHZDCISA-N 1 2 335.879 3.126 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)COCCCCCC)CC[C@H]1C ZINC001132445404 1375389558 /nfs/dbraw/zinc/38/95/58/1375389558.db2.gz NZQHLYCUIGUSDJ-HZPDHXFCSA-N 1 2 330.900 3.305 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)COCCCCCC)CC[C@H]1C ZINC001132445404 1375389563 /nfs/dbraw/zinc/38/95/63/1375389563.db2.gz NZQHLYCUIGUSDJ-HZPDHXFCSA-N 1 2 330.900 3.305 20 30 EGEDLO CC/C(C)=C/C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001227210092 1375407330 /nfs/dbraw/zinc/40/73/30/1375407330.db2.gz BILLIYDWFXBGMW-GXDHUFHOSA-N 1 2 329.419 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCc2ccccc2F)CC[C@@H]1C ZINC001132481965 1375417766 /nfs/dbraw/zinc/41/77/66/1375417766.db2.gz OYKGKDGAEIBVPG-HOCLYGCPSA-N 1 2 338.854 3.480 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCc2ccccc2F)CC[C@@H]1C ZINC001132481965 1375417770 /nfs/dbraw/zinc/41/77/70/1375417770.db2.gz OYKGKDGAEIBVPG-HOCLYGCPSA-N 1 2 338.854 3.480 20 30 EGEDLO C=CC(C)(C)CC(=O)NC1CC[NH+]([C@@H](C)c2nnc(C)s2)CC1 ZINC001227561745 1375443182 /nfs/dbraw/zinc/44/31/82/1375443182.db2.gz FTRCFIJQWQCYHB-LBPRGKRZSA-N 1 2 336.505 3.090 20 30 EGEDLO C=C(C)CCC(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001227587847 1375448309 /nfs/dbraw/zinc/44/83/09/1375448309.db2.gz AGJSDFKKYZWVOL-UHFFFAOYSA-N 1 2 329.419 3.134 20 30 EGEDLO C=C(C)CCC(=O)NC1CC[NH+](Cc2ncc(C(C)(C)C)o2)CC1 ZINC001227607027 1375452976 /nfs/dbraw/zinc/45/29/76/1375452976.db2.gz IELAUOGTNLEJKX-UHFFFAOYSA-N 1 2 333.476 3.409 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3ccn(C)n3)C2)CCCC1 ZINC001132547150 1375454638 /nfs/dbraw/zinc/45/46/38/1375454638.db2.gz XRUGBCTUIBNTOW-IAGOWNOFSA-N 1 2 344.503 3.026 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3ccn(C)n3)C2)CCCC1 ZINC001132547150 1375454641 /nfs/dbraw/zinc/45/46/41/1375454641.db2.gz XRUGBCTUIBNTOW-IAGOWNOFSA-N 1 2 344.503 3.026 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC001228795374 1375678555 /nfs/dbraw/zinc/67/85/55/1375678555.db2.gz WWYXNDAUGCPXPW-CQSZACIVSA-N 1 2 335.517 3.388 20 30 EGEDLO C=C[C@@H](CC)Oc1nc(=O)[nH]c2c1CC[N@H+](Cc1ccccc1)C2 ZINC001230187971 1375959481 /nfs/dbraw/zinc/95/94/81/1375959481.db2.gz DXLCBRHXCLHBQV-HNNXBMFYSA-N 1 2 325.412 3.084 20 30 EGEDLO C=C[C@@H](CC)Oc1nc(=O)[nH]c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001230187971 1375959492 /nfs/dbraw/zinc/95/94/92/1375959492.db2.gz DXLCBRHXCLHBQV-HNNXBMFYSA-N 1 2 325.412 3.084 20 30 EGEDLO CC#C[C@@H](CC)Oc1ccc2c(c1)[C@H]1OCC[N@@H+](CCC)[C@@H]1CO2 ZINC001230426937 1376027857 /nfs/dbraw/zinc/02/78/57/1376027857.db2.gz JFSUDNJYDPHSGD-XFQXTVEOSA-N 1 2 329.440 3.412 20 30 EGEDLO CC#C[C@@H](CC)Oc1ccc2c(c1)[C@H]1OCC[N@H+](CCC)[C@@H]1CO2 ZINC001230426937 1376027866 /nfs/dbraw/zinc/02/78/66/1376027866.db2.gz JFSUDNJYDPHSGD-XFQXTVEOSA-N 1 2 329.440 3.412 20 30 EGEDLO C=CCC1(C(=O)NC2CC[NH+]([C@@H](C)c3ncccn3)CC2)CCCC1 ZINC001230475517 1376035712 /nfs/dbraw/zinc/03/57/12/1376035712.db2.gz MBPPEDFBVADIJG-INIZCTEOSA-N 1 2 342.487 3.255 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1)C(=O)CC1CC1 ZINC001230582217 1376085213 /nfs/dbraw/zinc/08/52/13/1376085213.db2.gz AFSPRMFWTUUSFI-GOSISDBHSA-N 1 2 330.859 3.024 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1)C(=O)CC1CC1 ZINC001230582217 1376085225 /nfs/dbraw/zinc/08/52/25/1376085225.db2.gz AFSPRMFWTUUSFI-GOSISDBHSA-N 1 2 330.859 3.024 20 30 EGEDLO CC(C)(CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1)CC(F)F ZINC001230581317 1376085516 /nfs/dbraw/zinc/08/55/16/1376085516.db2.gz XWQMITIZBNVXOZ-HNNXBMFYSA-N 1 2 341.446 3.284 20 30 EGEDLO CC(C)(CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1)CC(F)F ZINC001230581317 1376085523 /nfs/dbraw/zinc/08/55/23/1376085523.db2.gz XWQMITIZBNVXOZ-HNNXBMFYSA-N 1 2 341.446 3.284 20 30 EGEDLO C=C[C@H](COC)[NH2+]Cc1nc(N(C)C)n(-c2ccc(C)cc2)c1Cl ZINC001327186716 1388429378 /nfs/dbraw/zinc/42/93/78/1388429378.db2.gz FHWQLVOIKYCIDE-CQSZACIVSA-N 1 2 348.878 3.191 20 30 EGEDLO CN(CCC#N)c1ccc(C[NH+]2CC(OCc3ccccc3)C2)cc1 ZINC001231817491 1376319668 /nfs/dbraw/zinc/31/96/68/1376319668.db2.gz IHWSMUHSVQFSIP-UHFFFAOYSA-N 1 2 335.451 3.437 20 30 EGEDLO CN(CCC#N)c1ccc(C[NH+]2CC(Oc3ccccc3C#N)C2)cc1 ZINC001231822200 1376321442 /nfs/dbraw/zinc/32/14/42/1376321442.db2.gz XMLFBDDIHRWMMH-UHFFFAOYSA-N 1 2 346.434 3.171 20 30 EGEDLO N#Cc1ccc(O)c(C[N@@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)c1 ZINC001232678451 1376500485 /nfs/dbraw/zinc/50/04/85/1376500485.db2.gz ZUHRSHQMAMKLKW-UHFFFAOYSA-N 1 2 347.462 3.362 20 30 EGEDLO N#Cc1ccc(O)c(C[N@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)c1 ZINC001232678451 1376500494 /nfs/dbraw/zinc/50/04/94/1376500494.db2.gz ZUHRSHQMAMKLKW-UHFFFAOYSA-N 1 2 347.462 3.362 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001232890190 1376533963 /nfs/dbraw/zinc/53/39/63/1376533963.db2.gz ZALDTNNURTWHLJ-VQTJNVASSA-N 1 2 344.430 3.247 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001232890190 1376533967 /nfs/dbraw/zinc/53/39/67/1376533967.db2.gz ZALDTNNURTWHLJ-VQTJNVASSA-N 1 2 344.430 3.247 20 30 EGEDLO CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(C#N)cc1O ZINC001233386403 1376634605 /nfs/dbraw/zinc/63/46/05/1376634605.db2.gz SCBSNMOQZHTSKT-INIZCTEOSA-N 1 2 345.443 3.095 20 30 EGEDLO CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(C#N)cc1O ZINC001233386403 1376634607 /nfs/dbraw/zinc/63/46/07/1376634607.db2.gz SCBSNMOQZHTSKT-INIZCTEOSA-N 1 2 345.443 3.095 20 30 EGEDLO CCC(=CC(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)CC ZINC001233600227 1376679624 /nfs/dbraw/zinc/67/96/24/1376679624.db2.gz IPSMMWBMLXRFHA-HXUWFJFHSA-N 1 2 342.458 3.456 20 30 EGEDLO CCC(=CC(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)CC ZINC001233600227 1376679629 /nfs/dbraw/zinc/67/96/29/1376679629.db2.gz IPSMMWBMLXRFHA-HXUWFJFHSA-N 1 2 342.458 3.456 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H]1CCc2c1c(F)ccc2F ZINC001233966420 1376745386 /nfs/dbraw/zinc/74/53/86/1376745386.db2.gz LUNNUHSGPHSQIO-RDTXWAMCSA-N 1 2 346.421 3.288 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H]1CCc2c1c(F)ccc2F ZINC001233966420 1376745393 /nfs/dbraw/zinc/74/53/93/1376745393.db2.gz LUNNUHSGPHSQIO-RDTXWAMCSA-N 1 2 346.421 3.288 20 30 EGEDLO C[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C1CCC1 ZINC001235743253 1376888406 /nfs/dbraw/zinc/88/84/06/1376888406.db2.gz PGMWHOSGTIUSBB-RDTXWAMCSA-N 1 2 343.446 3.166 20 30 EGEDLO C[C@@H](C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C1CCC1 ZINC001235743253 1376888413 /nfs/dbraw/zinc/88/84/13/1376888413.db2.gz PGMWHOSGTIUSBB-RDTXWAMCSA-N 1 2 343.446 3.166 20 30 EGEDLO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C1CCC1 ZINC001235743295 1376889106 /nfs/dbraw/zinc/88/91/06/1376889106.db2.gz PRJVSNBJVKHXNC-BEFAXECRSA-N 1 2 325.456 3.027 20 30 EGEDLO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C1CCC1 ZINC001235743295 1376889112 /nfs/dbraw/zinc/88/91/12/1376889112.db2.gz PRJVSNBJVKHXNC-BEFAXECRSA-N 1 2 325.456 3.027 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(F)(F)C(F)F ZINC001135180402 1376952905 /nfs/dbraw/zinc/95/29/05/1376952905.db2.gz GRCJUPQWTDBJIL-WDEREUQCSA-N 1 2 326.378 3.362 20 30 EGEDLO C=CC1(CC(=O)NCC[NH2+][C@@H](C)c2nc(C3CC3)no2)CCCCC1 ZINC001135196932 1376968065 /nfs/dbraw/zinc/96/80/65/1376968065.db2.gz PCIRPHBEVXOYPI-AWEZNQCLSA-N 1 2 346.475 3.240 20 30 EGEDLO CC/C=C(/C)C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001189178819 1388475295 /nfs/dbraw/zinc/47/52/95/1388475295.db2.gz LKAMTEJTODUYNM-PHHWEUELSA-N 1 2 329.419 3.086 20 30 EGEDLO CC/C=C(/C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001189178819 1388475297 /nfs/dbraw/zinc/47/52/97/1388475297.db2.gz LKAMTEJTODUYNM-PHHWEUELSA-N 1 2 329.419 3.086 20 30 EGEDLO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ncc(Cl)s1)CC2 ZINC001137107823 1377479822 /nfs/dbraw/zinc/47/98/22/1377479822.db2.gz DBWFIAKBTDNVOW-MRXNPFEDSA-N 1 2 339.892 3.330 20 30 EGEDLO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ncc(Cl)s1)CC2 ZINC001137107823 1377479824 /nfs/dbraw/zinc/47/98/24/1377479824.db2.gz DBWFIAKBTDNVOW-MRXNPFEDSA-N 1 2 339.892 3.330 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cc(OC)ccc1F)CCO2 ZINC001137994992 1377661883 /nfs/dbraw/zinc/66/18/83/1377661883.db2.gz MTVRUNXYKGIBBU-YLJYHZDGSA-N 1 2 349.446 3.408 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1cc(OC)ccc1F)CCO2 ZINC001137994992 1377661889 /nfs/dbraw/zinc/66/18/89/1377661889.db2.gz MTVRUNXYKGIBBU-YLJYHZDGSA-N 1 2 349.446 3.408 20 30 EGEDLO Cn1c2ccccc2nc1C[N@@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001138380436 1377712343 /nfs/dbraw/zinc/71/23/43/1377712343.db2.gz FEGJJZAESAYOPG-QGZVFWFLSA-N 1 2 346.434 3.488 20 30 EGEDLO Cn1c2ccccc2nc1C[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001138380436 1377712344 /nfs/dbraw/zinc/71/23/44/1377712344.db2.gz FEGJJZAESAYOPG-QGZVFWFLSA-N 1 2 346.434 3.488 20 30 EGEDLO COc1ccc(F)cc1C[NH+]1CCN(c2cccc(C#N)c2)CC1 ZINC001138376288 1377712360 /nfs/dbraw/zinc/71/23/60/1377712360.db2.gz LELDILCNNRTTDT-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO C=C(C)COc1ccccc1C[NH+]1CCN(Cc2ccccn2)CC1 ZINC001138661892 1377764496 /nfs/dbraw/zinc/76/44/96/1377764496.db2.gz IIYLXVIRXLMJIF-UHFFFAOYSA-N 1 2 337.467 3.354 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccnc(Cl)c1)CCO2 ZINC001138818469 1377791256 /nfs/dbraw/zinc/79/12/56/1377791256.db2.gz OTVDLEUPCQVNJF-FUHWJXTLSA-N 1 2 336.863 3.309 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccnc(Cl)c1)CCO2 ZINC001138818469 1377791257 /nfs/dbraw/zinc/79/12/57/1377791257.db2.gz OTVDLEUPCQVNJF-FUHWJXTLSA-N 1 2 336.863 3.309 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(C#N)c(F)c1)CCO2 ZINC001139528394 1377897789 /nfs/dbraw/zinc/89/77/89/1377897789.db2.gz OVKAFNOGJZUGFO-AZUAARDMSA-N 1 2 344.430 3.271 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccc(C#N)c(F)c1)CCO2 ZINC001139528394 1377897795 /nfs/dbraw/zinc/89/77/95/1377897795.db2.gz OVKAFNOGJZUGFO-AZUAARDMSA-N 1 2 344.430 3.271 20 30 EGEDLO CC(C)(C)OC(=O)N1CCC2(C[NH+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001139645906 1377925075 /nfs/dbraw/zinc/92/50/75/1377925075.db2.gz DVUXDYOAKLBLRK-UHFFFAOYSA-N 1 2 345.418 3.140 20 30 EGEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)OC(C)(C)C ZINC001140136029 1378017873 /nfs/dbraw/zinc/01/78/73/1378017873.db2.gz DWHPYBKNONFVDA-CXAGYDPISA-N 1 2 347.434 3.432 20 30 EGEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)OC(C)(C)C ZINC001140136029 1378017874 /nfs/dbraw/zinc/01/78/74/1378017874.db2.gz DWHPYBKNONFVDA-CXAGYDPISA-N 1 2 347.434 3.432 20 30 EGEDLO N#Cc1ccc(CN2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)c(F)c1 ZINC001140141391 1378019744 /nfs/dbraw/zinc/01/97/44/1378019744.db2.gz VRFSQRZVAYNLEL-KRWDZBQOSA-N 1 2 337.389 3.393 20 30 EGEDLO COc1ccc([C@H]2CSCC[N@@H+]2Cc2ccc(C#N)nc2)cc1 ZINC001140544498 1378081347 /nfs/dbraw/zinc/08/13/47/1378081347.db2.gz RKOIHMWVIFGOIS-GOSISDBHSA-N 1 2 325.437 3.252 20 30 EGEDLO COc1ccc([C@H]2CSCC[N@H+]2Cc2ccc(C#N)nc2)cc1 ZINC001140544498 1378081348 /nfs/dbraw/zinc/08/13/48/1378081348.db2.gz RKOIHMWVIFGOIS-GOSISDBHSA-N 1 2 325.437 3.252 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCc3ccc(OC(F)(F)F)cc3C2)cn1 ZINC001140546251 1378082914 /nfs/dbraw/zinc/08/29/14/1378082914.db2.gz AZLOSLSEDZHDFM-UHFFFAOYSA-N 1 2 333.313 3.410 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCc3ccc(OC(F)(F)F)cc3C2)cn1 ZINC001140546251 1378082916 /nfs/dbraw/zinc/08/29/16/1378082916.db2.gz AZLOSLSEDZHDFM-UHFFFAOYSA-N 1 2 333.313 3.410 20 30 EGEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cccc(Cl)c1F ZINC001273284082 1378094632 /nfs/dbraw/zinc/09/46/32/1378094632.db2.gz DZQJNRSMLIMSHN-GOSISDBHSA-N 1 2 334.822 3.069 20 30 EGEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(Cl)c1F ZINC001273284082 1378094635 /nfs/dbraw/zinc/09/46/35/1378094635.db2.gz DZQJNRSMLIMSHN-GOSISDBHSA-N 1 2 334.822 3.069 20 30 EGEDLO N#Cc1c(F)cc(C[NH+]2CCC(Oc3cccnc3)CC2)cc1F ZINC001140754355 1378130745 /nfs/dbraw/zinc/13/07/45/1378130745.db2.gz WVBQTBPVRBSLSH-UHFFFAOYSA-N 1 2 329.350 3.275 20 30 EGEDLO CCCCCCCCNC(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001277330551 1378217502 /nfs/dbraw/zinc/21/75/02/1378217502.db2.gz VGDJDOHNPPDBGC-UHFFFAOYSA-N 1 2 332.492 3.202 20 30 EGEDLO COc1ccc2c(c1)CC[N@@H+](Cc1sc(N)c(C#N)c1Cl)C2 ZINC001141109562 1378242422 /nfs/dbraw/zinc/24/24/22/1378242422.db2.gz UGEPSYXMXJYAPN-UHFFFAOYSA-N 1 2 333.844 3.422 20 30 EGEDLO COc1ccc2c(c1)CC[N@H+](Cc1sc(N)c(C#N)c1Cl)C2 ZINC001141109562 1378242425 /nfs/dbraw/zinc/24/24/25/1378242425.db2.gz UGEPSYXMXJYAPN-UHFFFAOYSA-N 1 2 333.844 3.422 20 30 EGEDLO N#Cc1cc(F)ccc1CN1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001141163256 1378255529 /nfs/dbraw/zinc/25/55/29/1378255529.db2.gz XOBGYBPAXZLHEL-UHFFFAOYSA-N 1 2 327.378 3.154 20 30 EGEDLO N#Cc1cc(F)ccc1CN1CC[C@@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001141168639 1378259214 /nfs/dbraw/zinc/25/92/14/1378259214.db2.gz RQZDUYQCVUKGJZ-QGZVFWFLSA-N 1 2 337.389 3.393 20 30 EGEDLO CCn1cc2c(n1)C[N@@H+](Cc1c[nH]c3cc(C#N)ccc13)C[C@@H]2COC ZINC001142916487 1378508278 /nfs/dbraw/zinc/50/82/78/1378508278.db2.gz TVPRACGVGSVBDE-MRXNPFEDSA-N 1 2 349.438 3.002 20 30 EGEDLO CCn1cc2c(n1)C[N@H+](Cc1c[nH]c3cc(C#N)ccc13)C[C@@H]2COC ZINC001142916487 1378508279 /nfs/dbraw/zinc/50/82/79/1378508279.db2.gz TVPRACGVGSVBDE-MRXNPFEDSA-N 1 2 349.438 3.002 20 30 EGEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1ccc(OCC(F)(F)F)nc1)CC2 ZINC001144345466 1378718639 /nfs/dbraw/zinc/71/86/39/1378718639.db2.gz MWKBUWBMHGHBCS-UHFFFAOYSA-N 1 2 347.340 3.453 20 30 EGEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccc(OCC(F)(F)F)nc1)CC2 ZINC001144345466 1378718640 /nfs/dbraw/zinc/71/86/40/1378718640.db2.gz MWKBUWBMHGHBCS-UHFFFAOYSA-N 1 2 347.340 3.453 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)CCCC3CC3)C2)C1 ZINC001148116823 1379120510 /nfs/dbraw/zinc/12/05/10/1379120510.db2.gz DHBCRAVXJMWYBH-UHFFFAOYSA-N 1 2 341.293 3.010 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)CCCC3CC3)C2)C1 ZINC001148116823 1379120512 /nfs/dbraw/zinc/12/05/12/1379120512.db2.gz DHBCRAVXJMWYBH-UHFFFAOYSA-N 1 2 341.293 3.010 20 30 EGEDLO CCCCCCCCC(=O)N1CC2(C1)CC[N@H+](Cc1nccn1C)C2 ZINC001148666285 1379237004 /nfs/dbraw/zinc/23/70/04/1379237004.db2.gz OVZHUUUTFQFWGS-UHFFFAOYSA-N 1 2 346.519 3.205 20 30 EGEDLO CCCCCCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nccn1C)C2 ZINC001148666285 1379237010 /nfs/dbraw/zinc/23/70/10/1379237010.db2.gz OVZHUUUTFQFWGS-UHFFFAOYSA-N 1 2 346.519 3.205 20 30 EGEDLO CCCCCCCCC(=O)NCC[NH2+]Cc1nc(-c2ccco2)no1 ZINC001148727500 1379254150 /nfs/dbraw/zinc/25/41/50/1379254150.db2.gz AUSQWCJKMIYPPZ-UHFFFAOYSA-N 1 2 348.447 3.286 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C(C)(C)CCC#N)cc2)CC1 ZINC001148906147 1379295824 /nfs/dbraw/zinc/29/58/24/1379295824.db2.gz FNWJSHIXMDTJOK-UHFFFAOYSA-N 1 2 325.456 3.212 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC001148953561 1379303444 /nfs/dbraw/zinc/30/34/44/1379303444.db2.gz SGIFVSHLTSWFRV-UHFFFAOYSA-N 1 2 332.753 3.303 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1C[N@H+](CC=C(Cl)Cl)CCCO1 ZINC001150078836 1379491465 /nfs/dbraw/zinc/49/14/65/1379491465.db2.gz NPHDNCVUJUPQAO-ZDUSSCGKSA-N 1 2 349.302 3.115 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1C[N@@H+](CC=C(Cl)Cl)CCCO1 ZINC001150078836 1379491467 /nfs/dbraw/zinc/49/14/67/1379491467.db2.gz NPHDNCVUJUPQAO-ZDUSSCGKSA-N 1 2 349.302 3.115 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NCc1ccco1 ZINC001327876364 1388612694 /nfs/dbraw/zinc/61/26/94/1388612694.db2.gz WCBATEZXNJBSCK-MRXNPFEDSA-N 1 2 344.459 3.140 20 30 EGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NCc1ccco1 ZINC001327876364 1388612696 /nfs/dbraw/zinc/61/26/96/1388612696.db2.gz WCBATEZXNJBSCK-MRXNPFEDSA-N 1 2 344.459 3.140 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001150578664 1379571556 /nfs/dbraw/zinc/57/15/56/1379571556.db2.gz DQLCYUSVMDFJLF-CVEARBPZSA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001150578664 1379571560 /nfs/dbraw/zinc/57/15/60/1379571560.db2.gz DQLCYUSVMDFJLF-CVEARBPZSA-N 1 2 344.927 3.408 20 30 EGEDLO C=C[C@@H](CC(=O)NCC[NH2+][C@@H](C)c1ncc(C)o1)c1ccccc1 ZINC001151945849 1379822668 /nfs/dbraw/zinc/82/26/68/1379822668.db2.gz CMBAHFHZLZEKIM-HOTGVXAUSA-N 1 2 327.428 3.110 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1coc(C2CC2)n1 ZINC001152842118 1379985936 /nfs/dbraw/zinc/98/59/36/1379985936.db2.gz NYGVMNVMBKADLR-OAHLLOKOSA-N 1 2 331.460 3.072 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1coc(C2CC2)n1 ZINC001152842118 1379985937 /nfs/dbraw/zinc/98/59/37/1379985937.db2.gz NYGVMNVMBKADLR-OAHLLOKOSA-N 1 2 331.460 3.072 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1nc(C)c(C)o1 ZINC001153567459 1380095102 /nfs/dbraw/zinc/09/51/02/1380095102.db2.gz ZMRYXNGHHHIYLK-CQSZACIVSA-N 1 2 333.476 3.386 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc(C)c(C)o1 ZINC001153567459 1380095107 /nfs/dbraw/zinc/09/51/07/1380095107.db2.gz ZMRYXNGHHHIYLK-CQSZACIVSA-N 1 2 333.476 3.386 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)CC(F)F ZINC001154359834 1380264687 /nfs/dbraw/zinc/26/46/87/1380264687.db2.gz LTMGUSXQQRHZAK-MWLCHTKSSA-N 1 2 341.240 3.013 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)CC(F)F ZINC001154359834 1380264688 /nfs/dbraw/zinc/26/46/88/1380264688.db2.gz LTMGUSXQQRHZAK-MWLCHTKSSA-N 1 2 341.240 3.013 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(Cl)n1C ZINC001154743247 1380343929 /nfs/dbraw/zinc/34/39/29/1380343929.db2.gz XJYRHZBLTDUSIH-UONOGXRCSA-N 1 2 340.899 3.002 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(Cl)n1C ZINC001154743247 1380343930 /nfs/dbraw/zinc/34/39/30/1380343930.db2.gz XJYRHZBLTDUSIH-UONOGXRCSA-N 1 2 340.899 3.002 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1nccn1C(F)F ZINC001154750829 1380345216 /nfs/dbraw/zinc/34/52/16/1380345216.db2.gz CBHCVEOJFCMWLE-KGLIPLIRSA-N 1 2 342.434 3.207 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nccn1C(F)F ZINC001154750829 1380345219 /nfs/dbraw/zinc/34/52/19/1380345219.db2.gz CBHCVEOJFCMWLE-KGLIPLIRSA-N 1 2 342.434 3.207 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)CC(C)(F)F ZINC001155072908 1380403301 /nfs/dbraw/zinc/40/33/01/1380403301.db2.gz OBMZICFDZTWMSD-GFCCVEGCSA-N 1 2 341.377 3.069 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)CC(C)(F)F ZINC001155072908 1380403302 /nfs/dbraw/zinc/40/33/02/1380403302.db2.gz OBMZICFDZTWMSD-GFCCVEGCSA-N 1 2 341.377 3.069 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)C(C)(F)F ZINC001155288818 1380433654 /nfs/dbraw/zinc/43/36/54/1380433654.db2.gz AOOYEGKGNZQIAZ-MNOVXSKESA-N 1 2 341.240 3.013 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)C(C)(F)F ZINC001155288818 1380433655 /nfs/dbraw/zinc/43/36/55/1380433655.db2.gz AOOYEGKGNZQIAZ-MNOVXSKESA-N 1 2 341.240 3.013 20 30 EGEDLO N#CCc1cc[nH+]c(NC2CCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC001156218847 1380544259 /nfs/dbraw/zinc/54/42/59/1380544259.db2.gz CQKBLPAVFCMIFL-UHFFFAOYSA-N 1 2 338.386 3.003 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccn(CC)n1 ZINC001158377802 1381225633 /nfs/dbraw/zinc/22/56/33/1381225633.db2.gz PYBHDTVYKXRITC-IEBWSBKVSA-N 1 2 346.519 3.318 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccn(CC)n1 ZINC001158377802 1381225635 /nfs/dbraw/zinc/22/56/35/1381225635.db2.gz PYBHDTVYKXRITC-IEBWSBKVSA-N 1 2 346.519 3.318 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(CC)o1 ZINC001158419096 1381240011 /nfs/dbraw/zinc/24/00/11/1381240011.db2.gz KIIXKVHYGZMRIL-MRXNPFEDSA-N 1 2 333.476 3.406 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(CC)o1 ZINC001158419096 1381240017 /nfs/dbraw/zinc/24/00/17/1381240017.db2.gz KIIXKVHYGZMRIL-MRXNPFEDSA-N 1 2 333.476 3.406 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@@H](C)c1nnc(C)o1 ZINC001158425656 1381240699 /nfs/dbraw/zinc/24/06/99/1381240699.db2.gz AMJLZHMUGAYKED-GOEBONIOSA-N 1 2 334.464 3.108 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@@H](C)c1nnc(C)o1 ZINC001158425656 1381240704 /nfs/dbraw/zinc/24/07/04/1381240704.db2.gz AMJLZHMUGAYKED-GOEBONIOSA-N 1 2 334.464 3.108 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@H](C)c1nc(CC)no1 ZINC001158426509 1381241618 /nfs/dbraw/zinc/24/16/18/1381241618.db2.gz LZBNYQCYBDNQDJ-HZPDHXFCSA-N 1 2 348.491 3.362 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@H](C)c1nc(CC)no1 ZINC001158426509 1381241622 /nfs/dbraw/zinc/24/16/22/1381241622.db2.gz LZBNYQCYBDNQDJ-HZPDHXFCSA-N 1 2 348.491 3.362 20 30 EGEDLO N#Cc1cc2c(nc1N1CC[C@H]([NH+]3CCCC3)C(F)(F)C1)CCCC2 ZINC001158629911 1381330675 /nfs/dbraw/zinc/33/06/75/1381330675.db2.gz XAFJIUGWOJWJAE-KRWDZBQOSA-N 1 2 346.425 3.142 20 30 EGEDLO N#Cc1c2c(sc1NC1=CCN(c3ccccc3)CC1)C[NH2+]CC2 ZINC001159159428 1381682423 /nfs/dbraw/zinc/68/24/23/1381682423.db2.gz HTJFSZAGBNGELA-UHFFFAOYSA-N 1 2 336.464 3.472 20 30 EGEDLO C=CCCC(=O)NCCC1=CC[N@H+]([C@H](C)c2nnc(C)s2)CC1 ZINC001159544682 1381823834 /nfs/dbraw/zinc/82/38/34/1381823834.db2.gz YSZNUOZBJPZTCL-CYBMUJFWSA-N 1 2 334.489 3.012 20 30 EGEDLO C=CCCC(=O)NCCC1=CC[N@@H+]([C@H](C)c2nnc(C)s2)CC1 ZINC001159544682 1381823839 /nfs/dbraw/zinc/82/38/39/1381823839.db2.gz YSZNUOZBJPZTCL-CYBMUJFWSA-N 1 2 334.489 3.012 20 30 EGEDLO C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)C(F)C(F)(F)F)CC1 ZINC001160196713 1382031019 /nfs/dbraw/zinc/03/10/19/1382031019.db2.gz XNAIJALZDFQKRB-GXTWGEPZSA-N 1 2 336.373 3.380 20 30 EGEDLO C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)C(F)C(F)(F)F)CC1 ZINC001160196713 1382031020 /nfs/dbraw/zinc/03/10/20/1382031020.db2.gz XNAIJALZDFQKRB-GXTWGEPZSA-N 1 2 336.373 3.380 20 30 EGEDLO C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001160196713 1382031021 /nfs/dbraw/zinc/03/10/21/1382031021.db2.gz XNAIJALZDFQKRB-GXTWGEPZSA-N 1 2 336.373 3.380 20 30 EGEDLO C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001160196713 1382031023 /nfs/dbraw/zinc/03/10/23/1382031023.db2.gz XNAIJALZDFQKRB-GXTWGEPZSA-N 1 2 336.373 3.380 20 30 EGEDLO CC1(C(=O)NCCC2=CC[N@H+](Cc3cc(F)ccc3C#N)CC2)CC1 ZINC001160201643 1382031763 /nfs/dbraw/zinc/03/17/63/1382031763.db2.gz ANWRMNOJUFJNJX-UHFFFAOYSA-N 1 2 341.430 3.136 20 30 EGEDLO CC1(C(=O)NCCC2=CC[N@@H+](Cc3cc(F)ccc3C#N)CC2)CC1 ZINC001160201643 1382031770 /nfs/dbraw/zinc/03/17/70/1382031770.db2.gz ANWRMNOJUFJNJX-UHFFFAOYSA-N 1 2 341.430 3.136 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2ncc(CC)o2)CC1 ZINC001160941396 1382244325 /nfs/dbraw/zinc/24/43/25/1382244325.db2.gz MZYJDAAHNCOEFU-CVEARBPZSA-N 1 2 345.487 3.334 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2ncc(CC)o2)CC1 ZINC001160941396 1382244330 /nfs/dbraw/zinc/24/43/30/1382244330.db2.gz MZYJDAAHNCOEFU-CVEARBPZSA-N 1 2 345.487 3.334 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCC1=CC[N@H+](Cc2cc(C)on2)CC1 ZINC001160942126 1382245747 /nfs/dbraw/zinc/24/57/47/1382245747.db2.gz WHHMPDFQJHOXOW-GOEBONIOSA-N 1 2 331.460 3.080 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCC1=CC[N@@H+](Cc2cc(C)on2)CC1 ZINC001160942126 1382245749 /nfs/dbraw/zinc/24/57/49/1382245749.db2.gz WHHMPDFQJHOXOW-GOEBONIOSA-N 1 2 331.460 3.080 20 30 EGEDLO C=CCCCC(=O)NCCC1=CC[N@H+]([C@@H](C)c2nnc(C)s2)CC1 ZINC001161056895 1382285459 /nfs/dbraw/zinc/28/54/59/1382285459.db2.gz SZDACFYKAQBPOU-AWEZNQCLSA-N 1 2 348.516 3.402 20 30 EGEDLO C=CCCCC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nnc(C)s2)CC1 ZINC001161056895 1382285461 /nfs/dbraw/zinc/28/54/61/1382285461.db2.gz SZDACFYKAQBPOU-AWEZNQCLSA-N 1 2 348.516 3.402 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@H+](Cc2ncc(CC)o2)CC1 ZINC001161116443 1382304858 /nfs/dbraw/zinc/30/48/58/1382304858.db2.gz IWWAXRSVOOFHPZ-FQEVSTJZSA-N 1 2 345.487 3.478 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@@H+](Cc2ncc(CC)o2)CC1 ZINC001161116443 1382304865 /nfs/dbraw/zinc/30/48/65/1382304865.db2.gz IWWAXRSVOOFHPZ-FQEVSTJZSA-N 1 2 345.487 3.478 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)C2(CC)CC2)CC1 ZINC001161161787 1382319935 /nfs/dbraw/zinc/31/99/35/1382319935.db2.gz TVZXIACACJBMLT-UHFFFAOYSA-N 1 2 341.293 3.224 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)C2(CC)CC2)CC1 ZINC001161161787 1382319939 /nfs/dbraw/zinc/31/99/39/1382319939.db2.gz TVZXIACACJBMLT-UHFFFAOYSA-N 1 2 341.293 3.224 20 30 EGEDLO N#Cc1nc(Cl)ccc1C(F)(F)NCc1ccc2[nH+]ccn2c1 ZINC001163137069 1382974512 /nfs/dbraw/zinc/97/45/12/1382974512.db2.gz YOSMNSYSOJHBFS-UHFFFAOYSA-N 1 2 333.729 3.093 20 30 EGEDLO C=CCC(CC=C)C(=O)NCCC1(C[NH2+][C@H](C)c2noc(C)n2)CC1 ZINC001164647062 1383213424 /nfs/dbraw/zinc/21/34/24/1383213424.db2.gz AMZFRJBDZMLSIT-CQSZACIVSA-N 1 2 346.475 3.084 20 30 EGEDLO C=C(C)CCC(=O)NCCC1(C[NH2+]Cc2noc(C(C)(C)C)n2)CC1 ZINC001165258779 1383259340 /nfs/dbraw/zinc/25/93/40/1383259340.db2.gz PSSAJLAHLRLNHV-UHFFFAOYSA-N 1 2 348.491 3.100 20 30 EGEDLO N#CCc1cc[nH+]c(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1 ZINC001165428673 1383294564 /nfs/dbraw/zinc/29/45/64/1383294564.db2.gz BFMJBSQWAIFOEU-UHFFFAOYSA-N 1 2 333.395 3.044 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCC1(C[NH2+]CC(F)(F)C(F)F)CC1 ZINC001166703678 1383463506 /nfs/dbraw/zinc/46/35/06/1383463506.db2.gz IVOMWOQJIKPSJM-NEPJUHHUSA-N 1 2 338.389 3.221 20 30 EGEDLO COC(=O)C[C@H](c1cc[nH+]c(N2CCC[C@@H](CC#N)C2)c1)C1CC1 ZINC001166741929 1383469371 /nfs/dbraw/zinc/46/93/71/1383469371.db2.gz UVSPUSZRYBAFGB-YOEHRIQHSA-N 1 2 327.428 3.268 20 30 EGEDLO C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001167167799 1383556945 /nfs/dbraw/zinc/55/69/45/1383556945.db2.gz QHDVSMJTLXOBBK-HOTGVXAUSA-N 1 2 344.503 3.060 20 30 EGEDLO C[NH+](C)Cc1nc(CSCCNc2ccc(CC#N)cn2)cs1 ZINC001168104048 1383817474 /nfs/dbraw/zinc/81/74/74/1383817474.db2.gz CGCUXSHJRDMPPV-UHFFFAOYSA-N 1 2 347.513 3.011 20 30 EGEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NC[C@H]2CC(C)(C)O2)[nH+]1 ZINC001168453361 1383910280 /nfs/dbraw/zinc/91/02/80/1383910280.db2.gz VILLDAWXSFBNEK-UNGHRUMOSA-N 1 2 337.489 3.251 20 30 EGEDLO N#Cc1ccc(NCCc2cn3ccccc3[nH+]2)nc1C(F)(F)F ZINC001169001928 1384084278 /nfs/dbraw/zinc/08/42/78/1384084278.db2.gz DYIJQNYCXYXVAN-UHFFFAOYSA-N 1 2 331.301 3.274 20 30 EGEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1Cc2nnc(C(F)(F)F)n2[C@H](C)C1 ZINC001171231368 1384475448 /nfs/dbraw/zinc/47/54/48/1384475448.db2.gz ISJKFRQINQZJGL-VXGBXAGGSA-N 1 2 349.360 3.176 20 30 EGEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1Cc2nnc(C(F)(F)F)n2[C@H](C)C1 ZINC001171231368 1384475451 /nfs/dbraw/zinc/47/54/51/1384475451.db2.gz ISJKFRQINQZJGL-VXGBXAGGSA-N 1 2 349.360 3.176 20 30 EGEDLO CCCC(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001316608496 1384477138 /nfs/dbraw/zinc/47/71/38/1384477138.db2.gz WPPBZCQNWJKOIW-AWEZNQCLSA-N 1 2 333.501 3.479 20 30 EGEDLO CCCC(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001316608496 1384477141 /nfs/dbraw/zinc/47/71/41/1384477141.db2.gz WPPBZCQNWJKOIW-AWEZNQCLSA-N 1 2 333.501 3.479 20 30 EGEDLO CCCC[N@H+](CC#N)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171278563 1384483700 /nfs/dbraw/zinc/48/37/00/1384483700.db2.gz GZPRTOIGBRWQOE-DFNIBXOVSA-N 1 2 325.456 3.448 20 30 EGEDLO CCCC[N@@H+](CC#N)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171278563 1384483702 /nfs/dbraw/zinc/48/37/02/1384483702.db2.gz GZPRTOIGBRWQOE-DFNIBXOVSA-N 1 2 325.456 3.448 20 30 EGEDLO N#CC1([NH2+][C@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)CCC1 ZINC001172513300 1384807399 /nfs/dbraw/zinc/80/73/99/1384807399.db2.gz YURQFGNXPHODHG-FHWLQOOXSA-N 1 2 337.467 3.353 20 30 EGEDLO N#Cc1cnn(-c2ccccn2)c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174523627 1385116575 /nfs/dbraw/zinc/11/65/75/1385116575.db2.gz RZQKLVPECKNUEM-UHFFFAOYSA-N 1 2 345.410 3.268 20 30 EGEDLO Cc1cc(C#N)c(Nc2ccc(N3CCOCC3)[nH+]c2)cc1Cl ZINC001174979559 1385178208 /nfs/dbraw/zinc/17/82/08/1385178208.db2.gz AQLBLUXREORKFV-UHFFFAOYSA-N 1 2 328.803 3.495 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cccc3[nH]ncc32)C1 ZINC001317762968 1385452221 /nfs/dbraw/zinc/45/22/21/1385452221.db2.gz GGKZZMBHGQCQMQ-AWEZNQCLSA-N 1 2 346.862 3.242 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cccc3[nH]ncc32)C1 ZINC001317762968 1385452224 /nfs/dbraw/zinc/45/22/24/1385452224.db2.gz GGKZZMBHGQCQMQ-AWEZNQCLSA-N 1 2 346.862 3.242 20 30 EGEDLO N#C[C@]1(C(=O)N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)CC12CCCC2 ZINC001336025503 1388992895 /nfs/dbraw/zinc/99/28/95/1388992895.db2.gz PYHIHMKWNSSYBO-LPHOPBHVSA-N 1 2 343.858 3.287 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCOc2cccc(C)c2)C1 ZINC001317955395 1385585401 /nfs/dbraw/zinc/58/54/01/1385585401.db2.gz NAVMZSTWZMRSHY-MRXNPFEDSA-N 1 2 336.863 3.097 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCOc2cccc(C)c2)C1 ZINC001317955395 1385585405 /nfs/dbraw/zinc/58/54/05/1385585405.db2.gz NAVMZSTWZMRSHY-MRXNPFEDSA-N 1 2 336.863 3.097 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2OCC[N@H+](Cc3cccc(C)c3)[C@H]2C1 ZINC001177025429 1385777193 /nfs/dbraw/zinc/77/71/93/1385777193.db2.gz QKLFXPSIHAFIJL-VQTJNVASSA-N 1 2 342.483 3.153 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2OCC[N@@H+](Cc3cccc(C)c3)[C@H]2C1 ZINC001177025429 1385777195 /nfs/dbraw/zinc/77/71/95/1385777195.db2.gz QKLFXPSIHAFIJL-VQTJNVASSA-N 1 2 342.483 3.153 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]2OCC[N@H+](CC3=CCCCC3)[C@@H]2C1 ZINC001177107416 1385815233 /nfs/dbraw/zinc/81/52/33/1385815233.db2.gz RJQJGXWIFHAHRB-MOPGFXCFSA-N 1 2 346.515 3.391 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]2OCC[N@@H+](CC3=CCCCC3)[C@@H]2C1 ZINC001177107416 1385815236 /nfs/dbraw/zinc/81/52/36/1385815236.db2.gz RJQJGXWIFHAHRB-MOPGFXCFSA-N 1 2 346.515 3.391 20 30 EGEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCCC3CCCCC3)C[C@@H]21 ZINC001177145240 1385833201 /nfs/dbraw/zinc/83/32/01/1385833201.db2.gz YKQHAYGURSMUFI-VQTJNVASSA-N 1 2 346.515 3.062 20 30 EGEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCC3CCCCC3)C[C@@H]21 ZINC001177145240 1385833206 /nfs/dbraw/zinc/83/32/06/1385833206.db2.gz YKQHAYGURSMUFI-VQTJNVASSA-N 1 2 346.515 3.062 20 30 EGEDLO C[C@H](C(=O)Nc1nc(-c2ccc(C#N)s2)cs1)n1cc[nH+]c1 ZINC001177921892 1386084975 /nfs/dbraw/zinc/08/49/75/1386084975.db2.gz FCYLXQBKGFSVIV-SECBINFHSA-N 1 2 329.410 3.139 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(N(CC)CC)cc1 ZINC001322285416 1387140183 /nfs/dbraw/zinc/14/01/83/1387140183.db2.gz MDHVYPBDURJTOY-OAHLLOKOSA-N 1 2 337.895 3.335 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(N(CC)CC)cc1 ZINC001322285416 1387140185 /nfs/dbraw/zinc/14/01/85/1387140185.db2.gz MDHVYPBDURJTOY-OAHLLOKOSA-N 1 2 337.895 3.335 20 30 EGEDLO N#Cc1cccc(CCC(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001182340194 1387152400 /nfs/dbraw/zinc/15/24/00/1387152400.db2.gz INNOZBBDGFCBLP-UHFFFAOYSA-N 1 2 330.391 3.374 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)N(C)c1nnc([C@@H]2CCCC[N@@H+]2C)n1C ZINC001338580446 1389710597 /nfs/dbraw/zinc/71/05/97/1389710597.db2.gz TZPQNNSSLUFHCW-YOEHRIQHSA-N 1 2 338.459 3.041 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)N(C)c1nnc([C@@H]2CCCC[N@H+]2C)n1C ZINC001338580446 1389710602 /nfs/dbraw/zinc/71/06/02/1389710602.db2.gz TZPQNNSSLUFHCW-YOEHRIQHSA-N 1 2 338.459 3.041 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCc2ccsc2C1 ZINC001340264266 1390260725 /nfs/dbraw/zinc/26/07/25/1390260725.db2.gz NESCLBNGNGXOGF-HNNXBMFYSA-N 1 2 343.500 3.245 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCc2ccsc2C1 ZINC001340264266 1390260728 /nfs/dbraw/zinc/26/07/28/1390260728.db2.gz NESCLBNGNGXOGF-HNNXBMFYSA-N 1 2 343.500 3.245 20 30 EGEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001340422561 1390286475 /nfs/dbraw/zinc/28/64/75/1390286475.db2.gz URQFEVKCQUYJHD-DLBZAZTESA-N 1 2 329.492 3.219 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](OC(C)C)C1 ZINC001342070874 1390567550 /nfs/dbraw/zinc/56/75/50/1390567550.db2.gz JBQUIQNBSLIGAU-IRXDYDNUSA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](OC(C)C)C1 ZINC001342070874 1390567552 /nfs/dbraw/zinc/56/75/52/1390567552.db2.gz JBQUIQNBSLIGAU-IRXDYDNUSA-N 1 2 347.507 3.015 20 30 EGEDLO C=C(C)CN(CC)c1nnc([C@@H]2CCCC[N@@H+]2C)n1CCCOCC ZINC001342459852 1390614689 /nfs/dbraw/zinc/61/46/89/1390614689.db2.gz OLIDQFDUGNQYTJ-KRWDZBQOSA-N 1 2 349.523 3.264 20 30 EGEDLO C=C(C)CN(CC)c1nnc([C@@H]2CCCC[N@H+]2C)n1CCCOCC ZINC001342459852 1390614692 /nfs/dbraw/zinc/61/46/92/1390614692.db2.gz OLIDQFDUGNQYTJ-KRWDZBQOSA-N 1 2 349.523 3.264 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCCC[C@@H](SC)C1 ZINC001343457732 1390715352 /nfs/dbraw/zinc/71/53/52/1390715352.db2.gz QUWQTNIWYYFUOJ-CVEARBPZSA-N 1 2 349.548 3.343 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCCC[C@@H](SC)C1 ZINC001343457732 1390715353 /nfs/dbraw/zinc/71/53/53/1390715353.db2.gz QUWQTNIWYYFUOJ-CVEARBPZSA-N 1 2 349.548 3.343 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)[C@H](C#N)c1cccc(F)n1 ZINC001344642847 1390804977 /nfs/dbraw/zinc/80/49/77/1390804977.db2.gz OLXBNQPGSNRGGJ-SNVBAGLBSA-N 1 2 344.296 3.034 20 30 EGEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCC[N@@H+]2C)n1Cc1cccs1 ZINC001344785168 1390814802 /nfs/dbraw/zinc/81/48/02/1390814802.db2.gz LHGYNQNNTVIYIE-HOCLYGCPSA-N 1 2 343.500 3.003 20 30 EGEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCC[N@H+]2C)n1Cc1cccs1 ZINC001344785168 1390814804 /nfs/dbraw/zinc/81/48/04/1390814804.db2.gz LHGYNQNNTVIYIE-HOCLYGCPSA-N 1 2 343.500 3.003 20 30 EGEDLO CC(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC(C)(C#N)CC1 ZINC001344879233 1390821380 /nfs/dbraw/zinc/82/13/80/1390821380.db2.gz ACNRJQYIPTUYRU-UHFFFAOYSA-N 1 2 344.507 3.050 20 30 EGEDLO C=C[C@H](C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1ccccc1 ZINC001348855516 1391275958 /nfs/dbraw/zinc/27/59/58/1391275958.db2.gz YPSRBRLIYGTNOT-XLIONFOSSA-N 1 2 335.451 3.257 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccccc1-c1ccncc1 ZINC001480880757 1392996140 /nfs/dbraw/zinc/99/61/40/1392996140.db2.gz XCMKAIRJKFSUOJ-UHFFFAOYSA-N 1 2 329.831 3.163 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccccc1-c1ccncc1 ZINC001480880757 1392996147 /nfs/dbraw/zinc/99/61/47/1392996147.db2.gz XCMKAIRJKFSUOJ-UHFFFAOYSA-N 1 2 329.831 3.163 20 30 EGEDLO CCCC[C@H](CC)C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001481616709 1394421405 /nfs/dbraw/zinc/42/14/05/1394421405.db2.gz ZFVZFKXAYKGCGU-KRWDZBQOSA-N 1 2 345.462 3.462 20 30 EGEDLO CC1(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)CCCCC1 ZINC001481642927 1394429051 /nfs/dbraw/zinc/42/90/51/1394429051.db2.gz RDUJBXGAEVFWTR-UHFFFAOYSA-N 1 2 343.446 3.216 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)Cc2cc(C)ccc2F)C1 ZINC001481776644 1394521761 /nfs/dbraw/zinc/52/17/61/1394521761.db2.gz AWJSVKIYIANYNB-INIZCTEOSA-N 1 2 338.854 3.352 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)Cc2cc(C)ccc2F)C1 ZINC001481776644 1394521765 /nfs/dbraw/zinc/52/17/65/1394521765.db2.gz AWJSVKIYIANYNB-INIZCTEOSA-N 1 2 338.854 3.352 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccn(C(CC)CC)n1 ZINC001485359053 1395835294 /nfs/dbraw/zinc/83/52/94/1395835294.db2.gz SMKRLGPLQYEAOC-CYBMUJFWSA-N 1 2 326.872 3.047 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccn(C(CC)CC)n1 ZINC001485359053 1395835303 /nfs/dbraw/zinc/83/53/03/1395835303.db2.gz SMKRLGPLQYEAOC-CYBMUJFWSA-N 1 2 326.872 3.047 20 30 EGEDLO CC(C)(CC(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1)C1CC1 ZINC001494546554 1396464554 /nfs/dbraw/zinc/46/45/54/1396464554.db2.gz PPUGEKAEBLZWIQ-UHFFFAOYSA-N 1 2 343.446 3.072 20 30 EGEDLO CCCC1(C(=O)NCC[N@H+](C)Cc2cc(C#N)ccc2F)CCC1 ZINC001690970476 1404878168 /nfs/dbraw/zinc/87/81/68/1404878168.db2.gz CIGLOFXSABCQRR-UHFFFAOYSA-N 1 2 331.435 3.216 20 30 EGEDLO CCCC1(C(=O)NCC[N@@H+](C)Cc2cc(C#N)ccc2F)CCC1 ZINC001690970476 1404878172 /nfs/dbraw/zinc/87/81/72/1404878172.db2.gz CIGLOFXSABCQRR-UHFFFAOYSA-N 1 2 331.435 3.216 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CCc1ccc(F)cc1F ZINC001691046230 1404958413 /nfs/dbraw/zinc/95/84/13/1404958413.db2.gz LXPOHKODUYMGIU-UHFFFAOYSA-N 1 2 330.806 3.088 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CCc1ccc(F)cc1F ZINC001691046230 1404958411 /nfs/dbraw/zinc/95/84/11/1404958411.db2.gz LXPOHKODUYMGIU-UHFFFAOYSA-N 1 2 330.806 3.088 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)CCC1(C)CC1 ZINC001691066729 1404993854 /nfs/dbraw/zinc/99/38/54/1404993854.db2.gz TZKUCIQDWXAKIK-GOSISDBHSA-N 1 2 325.456 3.171 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)CCC1(C)CC1 ZINC001691066729 1404993863 /nfs/dbraw/zinc/99/38/63/1404993863.db2.gz TZKUCIQDWXAKIK-GOSISDBHSA-N 1 2 325.456 3.171 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001691860183 1405577036 /nfs/dbraw/zinc/57/70/36/1405577036.db2.gz DMWNTQAGBHMIKF-NSHDSACASA-N 1 2 346.809 3.026 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001691860183 1405577039 /nfs/dbraw/zinc/57/70/39/1405577039.db2.gz DMWNTQAGBHMIKF-NSHDSACASA-N 1 2 346.809 3.026 20 30 EGEDLO CCCCCCC(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001698553760 1406151250 /nfs/dbraw/zinc/15/12/50/1406151250.db2.gz VHHCFXULBOXOJU-QGZVFWFLSA-N 1 2 331.435 3.358 20 30 EGEDLO CCCCCCC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001698553760 1406151251 /nfs/dbraw/zinc/15/12/51/1406151251.db2.gz VHHCFXULBOXOJU-QGZVFWFLSA-N 1 2 331.435 3.358 20 30 EGEDLO CCCN(C(=O)c1ccoc1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001732033905 1428252456 /nfs/dbraw/zinc/25/24/56/1428252456.db2.gz NLXAPWHOMOJLOU-IBGZPJMESA-N 1 2 337.423 3.278 20 30 EGEDLO CCCN(C(=O)c1ccoc1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001732033905 1428252457 /nfs/dbraw/zinc/25/24/57/1428252457.db2.gz NLXAPWHOMOJLOU-IBGZPJMESA-N 1 2 337.423 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)Cc2noc3ccccc23)C1 ZINC001732183214 1428431048 /nfs/dbraw/zinc/43/10/48/1428431048.db2.gz VFZDLKVQEHCDON-CQSZACIVSA-N 1 2 347.846 3.046 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)Cc2noc3ccccc23)C1 ZINC001732183214 1428431050 /nfs/dbraw/zinc/43/10/50/1428431050.db2.gz VFZDLKVQEHCDON-CQSZACIVSA-N 1 2 347.846 3.046 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1nnc(C2CC2)o1 ZINC001700345580 1413832034 /nfs/dbraw/zinc/83/20/34/1413832034.db2.gz ZUJPNDKLKHYACC-ZBFHGGJFSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2cccc(C(F)F)c2)C1 ZINC001700542455 1414210264 /nfs/dbraw/zinc/21/02/64/1414210264.db2.gz GGVOHPNZBKIGTM-GFCCVEGCSA-N 1 2 342.817 3.356 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C2(c3ccccc3)CCC2)C1 ZINC001700543212 1414210930 /nfs/dbraw/zinc/21/09/30/1414210930.db2.gz LDVAWCBXSCNMLN-OAHLLOKOSA-N 1 2 332.875 3.297 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C1(c2cccc(F)c2)CCC1 ZINC001732587451 1428803616 /nfs/dbraw/zinc/80/36/16/1428803616.db2.gz GORRGVVYACVAIB-UHFFFAOYSA-N 1 2 338.854 3.390 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C1(c2cccc(F)c2)CCC1 ZINC001732587451 1428803631 /nfs/dbraw/zinc/80/36/31/1428803631.db2.gz GORRGVVYACVAIB-UHFFFAOYSA-N 1 2 338.854 3.390 20 30 EGEDLO CCC(C)(CC)C(=O)N(C)CC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001732598121 1428839366 /nfs/dbraw/zinc/83/93/66/1428839366.db2.gz VVQKKYRXXHQUER-UHFFFAOYSA-N 1 2 333.451 3.414 20 30 EGEDLO CCC(C)(CC)C(=O)N(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001732598121 1428839373 /nfs/dbraw/zinc/83/93/73/1428839373.db2.gz VVQKKYRXXHQUER-UHFFFAOYSA-N 1 2 333.451 3.414 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)c2cc(Cl)no2)CC1 ZINC001713102236 1417657055 /nfs/dbraw/zinc/65/70/55/1417657055.db2.gz RDEBSHFJBLDRCF-UHFFFAOYSA-N 1 2 346.258 3.397 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCC(C)C)C1 ZINC001713387916 1417998806 /nfs/dbraw/zinc/99/88/06/1417998806.db2.gz OCCAMHHCGJFLDM-CQSZACIVSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)CCC(C)C)C1 ZINC001713387916 1417998807 /nfs/dbraw/zinc/99/88/07/1417998807.db2.gz OCCAMHHCGJFLDM-CQSZACIVSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1csc(-c2ccoc2)n1 ZINC001713494278 1418197338 /nfs/dbraw/zinc/19/73/38/1418197338.db2.gz OUYYYAJYHRZZPN-UHFFFAOYSA-N 1 2 339.848 3.207 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1csc(-c2ccoc2)n1 ZINC001713494278 1418197339 /nfs/dbraw/zinc/19/73/39/1418197339.db2.gz OUYYYAJYHRZZPN-UHFFFAOYSA-N 1 2 339.848 3.207 20 30 EGEDLO COc1cccc(C[N@@H+]2CCC[C@H](NC(=O)C#CC(C)C)C2)c1Cl ZINC001713789380 1418607207 /nfs/dbraw/zinc/60/72/07/1418607207.db2.gz PEHAYJRKMYYGLQ-INIZCTEOSA-N 1 2 348.874 3.089 20 30 EGEDLO COc1cccc(C[N@H+]2CCC[C@H](NC(=O)C#CC(C)C)C2)c1Cl ZINC001713789380 1418607209 /nfs/dbraw/zinc/60/72/09/1418607209.db2.gz PEHAYJRKMYYGLQ-INIZCTEOSA-N 1 2 348.874 3.089 20 30 EGEDLO CC(C)C(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001713799369 1418615350 /nfs/dbraw/zinc/61/53/50/1418615350.db2.gz KGSBBQPQODQFPG-SFHVURJKSA-N 1 2 327.472 3.321 20 30 EGEDLO CC(C)C(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001713799369 1418615356 /nfs/dbraw/zinc/61/53/56/1418615356.db2.gz KGSBBQPQODQFPG-SFHVURJKSA-N 1 2 327.472 3.321 20 30 EGEDLO C[C@@H](C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1)C1CCCC1 ZINC001713922386 1418715440 /nfs/dbraw/zinc/71/54/40/1418715440.db2.gz GIRWENKAQOGNDM-CQSZACIVSA-N 1 2 343.446 3.072 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC001713956493 1418738508 /nfs/dbraw/zinc/73/85/08/1418738508.db2.gz SRUATYYNOLLJTH-HNNXBMFYSA-N 1 2 336.838 3.363 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC001713956493 1418738510 /nfs/dbraw/zinc/73/85/10/1418738510.db2.gz SRUATYYNOLLJTH-HNNXBMFYSA-N 1 2 336.838 3.363 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CCc2ccc(CC)cc2)C1 ZINC001714021496 1418803594 /nfs/dbraw/zinc/80/35/94/1418803594.db2.gz NGZFROSMMLBRQR-SFHVURJKSA-N 1 2 334.891 3.467 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CCc2ccc(CC)cc2)C1 ZINC001714021496 1418803600 /nfs/dbraw/zinc/80/36/00/1418803600.db2.gz NGZFROSMMLBRQR-SFHVURJKSA-N 1 2 334.891 3.467 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)C[C@@H]1CCc2ccccc21)C1CC1 ZINC001714673191 1419463900 /nfs/dbraw/zinc/46/39/00/1419463900.db2.gz PBPCVVKDTSSVKE-INIZCTEOSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)C[C@@H]1CCc2ccccc21)C1CC1 ZINC001714673191 1419463902 /nfs/dbraw/zinc/46/39/02/1419463902.db2.gz PBPCVVKDTSSVKE-INIZCTEOSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cc3cccn3cn2)C1 ZINC001714857655 1419575691 /nfs/dbraw/zinc/57/56/91/1419575691.db2.gz YUYLPXBSCMZGEK-INIZCTEOSA-N 1 2 346.862 3.013 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cc3cccn3cn2)C1 ZINC001714857655 1419575692 /nfs/dbraw/zinc/57/56/92/1419575692.db2.gz YUYLPXBSCMZGEK-INIZCTEOSA-N 1 2 346.862 3.013 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C(C)(C)c1ccc(OC)cc1 ZINC001715540486 1420238243 /nfs/dbraw/zinc/23/82/43/1420238243.db2.gz XBWGTDLPKUAGJS-UHFFFAOYSA-N 1 2 338.879 3.116 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C(C)(C)c1ccc(OC)cc1 ZINC001715540486 1420238245 /nfs/dbraw/zinc/23/82/45/1420238245.db2.gz XBWGTDLPKUAGJS-UHFFFAOYSA-N 1 2 338.879 3.116 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1nsc2ccccc12 ZINC001716507864 1420739191 /nfs/dbraw/zinc/73/91/91/1420739191.db2.gz HAUNRLWFYOFZDE-LBPRGKRZSA-N 1 2 337.876 3.028 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1nsc2ccccc12 ZINC001716507864 1420739192 /nfs/dbraw/zinc/73/91/92/1420739192.db2.gz HAUNRLWFYOFZDE-LBPRGKRZSA-N 1 2 337.876 3.028 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1cccc(Cl)c1F ZINC001717490236 1421428462 /nfs/dbraw/zinc/42/84/62/1421428462.db2.gz IRGAKXXWGZDRGY-NSHDSACASA-N 1 2 333.234 3.211 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1cccc(Cl)c1F ZINC001717490236 1421428463 /nfs/dbraw/zinc/42/84/63/1421428463.db2.gz IRGAKXXWGZDRGY-NSHDSACASA-N 1 2 333.234 3.211 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCc1cccnc1 ZINC001723633670 1424500935 /nfs/dbraw/zinc/50/09/35/1424500935.db2.gz HOABSLSQJXHNCB-MSOLQXFVSA-N 1 2 347.890 3.222 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCc1cccnc1 ZINC001723633670 1424500941 /nfs/dbraw/zinc/50/09/41/1424500941.db2.gz HOABSLSQJXHNCB-MSOLQXFVSA-N 1 2 347.890 3.222 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cc(F)cc2cccnc21 ZINC001725189334 1425730037 /nfs/dbraw/zinc/73/00/37/1425730037.db2.gz JHFXPIULIVOIDI-GFCCVEGCSA-N 1 2 335.810 3.177 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cc(F)cc2cccnc21 ZINC001725189334 1425730040 /nfs/dbraw/zinc/73/00/40/1425730040.db2.gz JHFXPIULIVOIDI-GFCCVEGCSA-N 1 2 335.810 3.177 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCc1c[nH]c2ccccc12 ZINC001734063615 1437858624 /nfs/dbraw/zinc/85/86/24/1437858624.db2.gz ZXFLRQBMFKQNCN-AWEZNQCLSA-N 1 2 333.863 3.290 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCc1c[nH]c2ccccc12 ZINC001734063615 1437858625 /nfs/dbraw/zinc/85/86/25/1437858625.db2.gz ZXFLRQBMFKQNCN-AWEZNQCLSA-N 1 2 333.863 3.290 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CC12CC[NH+]([C@H](C)c1noc(C)n1)CC2 ZINC001752435863 1440180160 /nfs/dbraw/zinc/18/01/60/1440180160.db2.gz UJUHFNXQTNRXJM-HIFRSBDPSA-N 1 2 346.475 3.012 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC12CC[NH+]([C@@H](C)c1noc(C)n1)CC2 ZINC001752435862 1440180183 /nfs/dbraw/zinc/18/01/83/1440180183.db2.gz UJUHFNXQTNRXJM-DZGCQCFKSA-N 1 2 346.475 3.012 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@H]1CCCC[N@H+]1Cc1cncc(F)c1 ZINC001752820995 1440220427 /nfs/dbraw/zinc/22/04/27/1440220427.db2.gz JHWQHILFBBMGNW-LJQANCHMSA-N 1 2 345.462 3.460 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cncc(F)c1 ZINC001752820995 1440220428 /nfs/dbraw/zinc/22/04/28/1440220428.db2.gz JHWQHILFBBMGNW-LJQANCHMSA-N 1 2 345.462 3.460 20 30 EGEDLO C[C@H](c1c(F)cccc1F)[N@@H+]1CCC[C@@H]1CNC(=O)C#CC1CC1 ZINC001753102021 1440304864 /nfs/dbraw/zinc/30/48/64/1440304864.db2.gz BXSQPRYGTPYVOQ-UKRRQHHQSA-N 1 2 332.394 3.020 20 30 EGEDLO C[C@H](c1c(F)cccc1F)[N@H+]1CCC[C@@H]1CNC(=O)C#CC1CC1 ZINC001753102021 1440304865 /nfs/dbraw/zinc/30/48/65/1440304865.db2.gz BXSQPRYGTPYVOQ-UKRRQHHQSA-N 1 2 332.394 3.020 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccn(C2CCCC2)n1 ZINC001753109816 1440308040 /nfs/dbraw/zinc/30/80/40/1440308040.db2.gz GPQMNEHNRLXMEU-LJQANCHMSA-N 1 2 344.503 3.435 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccn(C2CCCC2)n1 ZINC001753109816 1440308041 /nfs/dbraw/zinc/30/80/41/1440308041.db2.gz GPQMNEHNRLXMEU-LJQANCHMSA-N 1 2 344.503 3.435 20 30 EGEDLO CC1(C)CC(C(=O)NCC[N@H+](Cc2cc(C#N)ccc2F)C2CC2)C1 ZINC001753153498 1440329423 /nfs/dbraw/zinc/32/94/23/1440329423.db2.gz VUNIATUDOHGWAJ-UHFFFAOYSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC(C(=O)NCC[N@@H+](Cc2cc(C#N)ccc2F)C2CC2)C1 ZINC001753153498 1440329424 /nfs/dbraw/zinc/32/94/24/1440329424.db2.gz VUNIATUDOHGWAJ-UHFFFAOYSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@@H]1CC[C@H](C(=O)NCC[N@H+](Cc2cc(C#N)ccc2F)C2CC2)C1 ZINC001753160988 1440333762 /nfs/dbraw/zinc/33/37/62/1440333762.db2.gz ITORLTVYLXPVOH-ZBFHGGJFSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@@H]1CC[C@H](C(=O)NCC[N@@H+](Cc2cc(C#N)ccc2F)C2CC2)C1 ZINC001753160988 1440333763 /nfs/dbraw/zinc/33/37/63/1440333763.db2.gz ITORLTVYLXPVOH-ZBFHGGJFSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(C)C[NH2+][C@H](CNC(=O)c1cccc2nc[nH]c21)c1ccccc1 ZINC001753311243 1440356540 /nfs/dbraw/zinc/35/65/40/1440356540.db2.gz KEMPJDATKUYHGB-GOSISDBHSA-N 1 2 334.423 3.200 20 30 EGEDLO CC#CCCCC(=O)N(CCC)[C@@H]1CC[N@@H+]([C@H](C)c2ncccn2)C1 ZINC001753318897 1440361637 /nfs/dbraw/zinc/36/16/37/1440361637.db2.gz SGVRWIBUFQLRHS-QZTJIDSGSA-N 1 2 342.487 3.044 20 30 EGEDLO CC#CCCCC(=O)N(CCC)[C@@H]1CC[N@H+]([C@H](C)c2ncccn2)C1 ZINC001753318897 1440361638 /nfs/dbraw/zinc/36/16/38/1440361638.db2.gz SGVRWIBUFQLRHS-QZTJIDSGSA-N 1 2 342.487 3.044 20 30 EGEDLO CC#CC[N@H+]1CC[C@@H](N(CCC)C(=O)c2cc(CCCCC)[nH]n2)C1 ZINC001753320096 1440362736 /nfs/dbraw/zinc/36/27/36/1440362736.db2.gz SZLRFXNSJLWQPV-GOSISDBHSA-N 1 2 344.503 3.092 20 30 EGEDLO CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cc(CCCCC)[nH]n2)C1 ZINC001753320096 1440362737 /nfs/dbraw/zinc/36/27/37/1440362737.db2.gz SZLRFXNSJLWQPV-GOSISDBHSA-N 1 2 344.503 3.092 20 30 EGEDLO CCCCCCC[NH+]1CC(NC(=O)c2conc2C(F)(F)F)C1 ZINC001753382615 1440387940 /nfs/dbraw/zinc/38/79/40/1440387940.db2.gz FDNCTNXINQSXPP-UHFFFAOYSA-N 1 2 333.354 3.078 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1oc(C(C)C)nc1C ZINC001753424123 1440396116 /nfs/dbraw/zinc/39/61/16/1440396116.db2.gz LTTKZBVHQSMYSG-ULQDDVLXSA-N 1 2 345.487 3.494 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1oc(C(C)C)nc1C ZINC001753424123 1440396117 /nfs/dbraw/zinc/39/61/17/1440396117.db2.gz LTTKZBVHQSMYSG-ULQDDVLXSA-N 1 2 345.487 3.494 20 30 EGEDLO C=CCC(CC=C)C(=O)N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2nnc(C)o2)C1 ZINC001753456691 1440408512 /nfs/dbraw/zinc/40/85/12/1440408512.db2.gz AYCHEFBYWLTUOC-RHSMWYFYSA-N 1 2 346.475 3.130 20 30 EGEDLO C=CCC(CC=C)C(=O)N(CC)[C@@H]1CC[N@H+]([C@H](C)c2nnc(C)o2)C1 ZINC001753456691 1440408513 /nfs/dbraw/zinc/40/85/13/1440408513.db2.gz AYCHEFBYWLTUOC-RHSMWYFYSA-N 1 2 346.475 3.130 20 30 EGEDLO C=CC1(CC(=O)NC[C@@H](CC)[NH2+][C@H](C)c2nc(C)no2)CCCCC1 ZINC001753488696 1440418671 /nfs/dbraw/zinc/41/86/71/1440418671.db2.gz RJGNQEOWKUHWKF-GDBMZVCRSA-N 1 2 348.491 3.450 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H](C)C[N@H+](C)Cc1noc2c1CCCC2 ZINC001754324037 1440579573 /nfs/dbraw/zinc/57/95/73/1440579573.db2.gz XSFDHOUVCKMYKH-AUUYWEPGSA-N 1 2 333.476 3.092 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H](C)C[N@@H+](C)Cc1noc2c1CCCC2 ZINC001754324037 1440579574 /nfs/dbraw/zinc/57/95/74/1440579574.db2.gz XSFDHOUVCKMYKH-AUUYWEPGSA-N 1 2 333.476 3.092 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H](C[NH2+][C@H](C)c1noc(C)n1)C1CCCC1 ZINC001754654177 1440652947 /nfs/dbraw/zinc/65/29/47/1440652947.db2.gz CZPCZMSOEFZXPT-CZUORRHYSA-N 1 2 348.491 3.306 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H](C[NH2+][C@H](C)c1noc(C)n1)C1CCCC1 ZINC001754654176 1440653049 /nfs/dbraw/zinc/65/30/49/1440653049.db2.gz CZPCZMSOEFZXPT-CJNGLKHVSA-N 1 2 348.491 3.306 20 30 EGEDLO C[C@@H](C#N)C(=O)N[C@@]1(C)CC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC001754668631 1440657318 /nfs/dbraw/zinc/65/73/18/1440657318.db2.gz PGINFKHUISJQFY-ZBEGNZNMSA-N 1 2 340.254 3.234 20 30 EGEDLO C[C@@H](C#N)C(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC001754668631 1440657319 /nfs/dbraw/zinc/65/73/19/1440657319.db2.gz PGINFKHUISJQFY-ZBEGNZNMSA-N 1 2 340.254 3.234 20 30 EGEDLO C#CCCCCC(=O)N[C@@]1(C)CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001754672552 1440658310 /nfs/dbraw/zinc/65/83/10/1440658310.db2.gz KOYWEUGJOGDGLF-SFHVURJKSA-N 1 2 333.863 3.009 20 30 EGEDLO C#CCCCCC(=O)N[C@@]1(C)CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001754672552 1440658311 /nfs/dbraw/zinc/65/83/11/1440658311.db2.gz KOYWEUGJOGDGLF-SFHVURJKSA-N 1 2 333.863 3.009 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@]1(C)CC[N@H+](Cc2noc3c2CCCC3)C1 ZINC001754678990 1440661560 /nfs/dbraw/zinc/66/15/60/1440661560.db2.gz XPPNGRRRPGIFAE-YWZLYKJASA-N 1 2 345.487 3.236 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@]1(C)CC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001754678990 1440661561 /nfs/dbraw/zinc/66/15/61/1440661561.db2.gz XPPNGRRRPGIFAE-YWZLYKJASA-N 1 2 345.487 3.236 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@]1(C)CCC[N@@H+]([C@H](C)c2nc(C)no2)C1 ZINC001754727954 1440677595 /nfs/dbraw/zinc/67/75/95/1440677595.db2.gz PJYAQYGNLCKBKX-RDTXWAMCSA-N 1 2 334.464 3.014 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@]1(C)CCC[N@H+]([C@H](C)c2nc(C)no2)C1 ZINC001754727954 1440677596 /nfs/dbraw/zinc/67/75/96/1440677596.db2.gz PJYAQYGNLCKBKX-RDTXWAMCSA-N 1 2 334.464 3.014 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1COCC[N@@H+]1Cc1cc(C)cc(C)c1 ZINC001754969674 1440718650 /nfs/dbraw/zinc/71/86/50/1440718650.db2.gz FAYWJNDZBNNOLS-UYAOXDASSA-N 1 2 344.499 3.223 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1COCC[N@H+]1Cc1cc(C)cc(C)c1 ZINC001754969674 1440718651 /nfs/dbraw/zinc/71/86/51/1440718651.db2.gz FAYWJNDZBNNOLS-UYAOXDASSA-N 1 2 344.499 3.223 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2csnn2)CC1 ZINC001755025400 1440728573 /nfs/dbraw/zinc/72/85/73/1440728573.db2.gz UCOGQHRTGGRRTN-KBPBESRZSA-N 1 2 336.505 3.172 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2csnn2)CC1 ZINC001755025400 1440728574 /nfs/dbraw/zinc/72/85/74/1440728574.db2.gz UCOGQHRTGGRRTN-KBPBESRZSA-N 1 2 336.505 3.172 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@@]2(CC[N@@H+]([C@H](C)c3csnn3)C2)C1 ZINC001755078005 1440749666 /nfs/dbraw/zinc/74/96/66/1440749666.db2.gz GYCXZCFSOYJOAS-QAPCUYQASA-N 1 2 348.516 3.270 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@@]2(CC[N@H+]([C@H](C)c3csnn3)C2)C1 ZINC001755078005 1440749667 /nfs/dbraw/zinc/74/96/67/1440749667.db2.gz GYCXZCFSOYJOAS-QAPCUYQASA-N 1 2 348.516 3.270 20 30 EGEDLO C=CCC[C@H](C)[N@@H+]1Cc2ccc(CNC(=O)c3[nH]ncc3F)cc2C1 ZINC001755102420 1440753436 /nfs/dbraw/zinc/75/34/36/1440753436.db2.gz SWBGSZLNLQLGSZ-ZDUSSCGKSA-N 1 2 342.418 3.149 20 30 EGEDLO C=CCC[C@H](C)[N@H+]1Cc2ccc(CNC(=O)c3[nH]ncc3F)cc2C1 ZINC001755102420 1440753437 /nfs/dbraw/zinc/75/34/37/1440753437.db2.gz SWBGSZLNLQLGSZ-ZDUSSCGKSA-N 1 2 342.418 3.149 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C(C)(C)C(C)(F)F ZINC001755171033 1440768910 /nfs/dbraw/zinc/76/89/10/1440768910.db2.gz HVYFZFRMDUGIMF-MRXNPFEDSA-N 1 2 334.410 3.017 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C(C)(C)C(C)(F)F ZINC001755171033 1440768911 /nfs/dbraw/zinc/76/89/11/1440768911.db2.gz HVYFZFRMDUGIMF-MRXNPFEDSA-N 1 2 334.410 3.017 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1coc(C2CC2)n1 ZINC001755191214 1440774711 /nfs/dbraw/zinc/77/47/11/1440774711.db2.gz HJDJGXODJCPOFR-GOSISDBHSA-N 1 2 343.471 3.168 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1coc(C2CC2)n1 ZINC001755191214 1440774712 /nfs/dbraw/zinc/77/47/12/1440774712.db2.gz HJDJGXODJCPOFR-GOSISDBHSA-N 1 2 343.471 3.168 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@@H](C)[N@H+](C)Cc1nc(C2CCCCC2)cs1 ZINC001755293128 1440805025 /nfs/dbraw/zinc/80/50/25/1440805025.db2.gz OKUQAAXPUGOSKK-ZIAGYGMSSA-N 1 2 348.516 3.287 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@@H](C)[N@@H+](C)Cc1nc(C2CCCCC2)cs1 ZINC001755293128 1440805026 /nfs/dbraw/zinc/80/50/26/1440805026.db2.gz OKUQAAXPUGOSKK-ZIAGYGMSSA-N 1 2 348.516 3.287 20 30 EGEDLO C[C@H](CNC(=O)[C@@]12C[C@@H]1CCCC2)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001755315834 1440815743 /nfs/dbraw/zinc/81/57/43/1440815743.db2.gz XYRGFZUBRJNZRH-LIVBEALHSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H](CNC(=O)[C@@]12C[C@@H]1CCCC2)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001755315834 1440815744 /nfs/dbraw/zinc/81/57/44/1440815744.db2.gz XYRGFZUBRJNZRH-LIVBEALHSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H](NC(=O)/C=C\C(C)(C)C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001755380590 1440839135 /nfs/dbraw/zinc/83/91/35/1440839135.db2.gz HJAOTHODHSELNV-DANTVBBOSA-N 1 2 343.446 3.236 20 30 EGEDLO C#CCCCC(=O)N[C@H]1C[N@@H+](Cc2cc(O)ccc2Cl)CC1(C)C ZINC001755405200 1440844090 /nfs/dbraw/zinc/84/40/90/1440844090.db2.gz IYXVVPBZQLEDTL-KRWDZBQOSA-N 1 2 348.874 3.176 20 30 EGEDLO C#CCCCC(=O)N[C@H]1C[N@H+](Cc2cc(O)ccc2Cl)CC1(C)C ZINC001755405200 1440844091 /nfs/dbraw/zinc/84/40/91/1440844091.db2.gz IYXVVPBZQLEDTL-KRWDZBQOSA-N 1 2 348.874 3.176 20 30 EGEDLO C=CCC(C)(C)C(=O)N(C)C[C@H](C)[NH2+][C@@H](C)c1nc(C2CC2)no1 ZINC001755605660 1440885365 /nfs/dbraw/zinc/88/53/65/1440885365.db2.gz FCCMPMQHFOCFOB-STQMWFEESA-N 1 2 334.464 3.047 20 30 EGEDLO C[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)CCC[N@@H+]1CC=C(Cl)Cl ZINC001755718666 1440906449 /nfs/dbraw/zinc/90/64/49/1440906449.db2.gz OFKPJKOMFQOZRO-STQMWFEESA-N 1 2 331.287 3.324 20 30 EGEDLO C[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)CCC[N@H+]1CC=C(Cl)Cl ZINC001755718666 1440906450 /nfs/dbraw/zinc/90/64/50/1440906450.db2.gz OFKPJKOMFQOZRO-STQMWFEESA-N 1 2 331.287 3.324 20 30 EGEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1[N@H+](Cc1nnc(CC)s1)CC2 ZINC001755702226 1440900594 /nfs/dbraw/zinc/90/05/94/1440900594.db2.gz OTLJLOLYZRTVCB-KDOFPFPSSA-N 1 2 348.516 3.070 20 30 EGEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1nnc(CC)s1)CC2 ZINC001755702226 1440900595 /nfs/dbraw/zinc/90/05/95/1440900595.db2.gz OTLJLOLYZRTVCB-KDOFPFPSSA-N 1 2 348.516 3.070 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066561304 215053799 /nfs/dbraw/zinc/05/37/99/215053799.db2.gz XSLZEUZVKRDHSI-GFCCVEGCSA-N 1 2 334.268 3.169 20 30 EGEDLO C=CC[N@H+](Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066561304 215053803 /nfs/dbraw/zinc/05/38/03/215053803.db2.gz XSLZEUZVKRDHSI-GFCCVEGCSA-N 1 2 334.268 3.169 20 30 EGEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2sccc2C#N)cc1C ZINC000103144891 219262360 /nfs/dbraw/zinc/26/23/60/219262360.db2.gz YGZMVHOBZRZWSD-UHFFFAOYSA-N 1 2 329.425 3.007 20 30 EGEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2sccc2C#N)cc1C ZINC000103144891 219262362 /nfs/dbraw/zinc/26/23/62/219262362.db2.gz YGZMVHOBZRZWSD-UHFFFAOYSA-N 1 2 329.425 3.007 20 30 EGEDLO N#Cc1c(Cl)nsc1Nc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000180979227 234051606 /nfs/dbraw/zinc/05/16/06/234051606.db2.gz KJMCCNBIMBIMJC-UHFFFAOYSA-N 1 2 334.832 3.373 20 30 EGEDLO Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000183973872 235275710 /nfs/dbraw/zinc/27/57/10/235275710.db2.gz YVSTVOGBIHZPTJ-KRWDZBQOSA-N 1 2 333.435 3.386 20 30 EGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000184385404 235383840 /nfs/dbraw/zinc/38/38/40/235383840.db2.gz MZJNUVVKJJQQPU-OAHLLOKOSA-N 1 2 339.464 3.068 20 30 EGEDLO N#Cc1ccc(N2CCc3c([nH+]cn3-c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000349889247 283169648 /nfs/dbraw/zinc/16/96/48/283169648.db2.gz AVKIBRMENIYCMV-UHFFFAOYSA-N 1 2 345.362 3.215 20 30 EGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000129186628 223030444 /nfs/dbraw/zinc/03/04/44/223030444.db2.gz ZSARIXLTCWQXSS-CQSZACIVSA-N 1 2 325.437 3.139 20 30 EGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000129186400 223030949 /nfs/dbraw/zinc/03/09/49/223030949.db2.gz ZSARIXLTCWQXSS-AWEZNQCLSA-N 1 2 325.437 3.139 20 30 EGEDLO CC(C)[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CCS1 ZINC000072836235 216313382 /nfs/dbraw/zinc/31/33/82/216313382.db2.gz OBIWNDSJYDBSFH-HNNXBMFYSA-N 1 2 337.876 3.224 20 30 EGEDLO CC(C)[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CCS1 ZINC000072836235 216313387 /nfs/dbraw/zinc/31/33/87/216313387.db2.gz OBIWNDSJYDBSFH-HNNXBMFYSA-N 1 2 337.876 3.224 20 30 EGEDLO N#Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1 ZINC000377370960 169016200 /nfs/dbraw/zinc/01/62/00/169016200.db2.gz AWFXTQXZPWGUFF-UHFFFAOYSA-N 1 2 334.423 3.264 20 30 EGEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000339488430 141122701 /nfs/dbraw/zinc/12/27/01/141122701.db2.gz AEFXRLBFDZTQRF-INIZCTEOSA-N 1 2 339.443 3.011 20 30 EGEDLO N#Cc1cc(F)ccc1C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000359622265 141388866 /nfs/dbraw/zinc/38/88/66/141388866.db2.gz AOOHRTIQQGPVAC-INIZCTEOSA-N 1 2 349.203 3.283 20 30 EGEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000175227379 144060419 /nfs/dbraw/zinc/06/04/19/144060419.db2.gz OOHOELJGFJGPOF-ZDUSSCGKSA-N 1 2 342.830 3.059 20 30 EGEDLO COc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)c([N+](=O)[O-])cc1F ZINC000184228989 144089391 /nfs/dbraw/zinc/08/93/91/144089391.db2.gz OXBZCFQOXNYRKV-UHFFFAOYSA-N 1 2 329.331 3.246 20 30 EGEDLO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)c([N+](=O)[O-])cc1F ZINC000184228989 144089393 /nfs/dbraw/zinc/08/93/93/144089393.db2.gz OXBZCFQOXNYRKV-UHFFFAOYSA-N 1 2 329.331 3.246 20 30 EGEDLO Cn1cc(C[N@@H+]2CCc3c(Br)cccc3C2)cc1C#N ZINC000191296640 144171532 /nfs/dbraw/zinc/17/15/32/144171532.db2.gz OMLDSMPMGFPDIM-UHFFFAOYSA-N 1 2 330.229 3.218 20 30 EGEDLO Cn1cc(C[N@H+]2CCc3c(Br)cccc3C2)cc1C#N ZINC000191296640 144171533 /nfs/dbraw/zinc/17/15/33/144171533.db2.gz OMLDSMPMGFPDIM-UHFFFAOYSA-N 1 2 330.229 3.218 20 30 EGEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC000115559002 152017097 /nfs/dbraw/zinc/01/70/97/152017097.db2.gz ACGKOZKEZJBLJM-SFHVURJKSA-N 1 2 337.448 3.287 20 30 EGEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC000115559002 152017105 /nfs/dbraw/zinc/01/71/05/152017105.db2.gz ACGKOZKEZJBLJM-SFHVURJKSA-N 1 2 337.448 3.287 20 30 EGEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000115533144 152018455 /nfs/dbraw/zinc/01/84/55/152018455.db2.gz HZISKKYIDQUOMS-IBGZPJMESA-N 1 2 335.382 3.013 20 30 EGEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000115533144 152018456 /nfs/dbraw/zinc/01/84/56/152018456.db2.gz HZISKKYIDQUOMS-IBGZPJMESA-N 1 2 335.382 3.013 20 30 EGEDLO COc1ccc2ccccc2c1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115596345 152020697 /nfs/dbraw/zinc/02/06/97/152020697.db2.gz VTWVLEHPOMGPOT-HXUWFJFHSA-N 1 2 345.402 3.036 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000191403865 153193979 /nfs/dbraw/zinc/19/39/79/153193979.db2.gz XWRPTXIQLSGJGY-OAHLLOKOSA-N 1 2 342.874 3.429 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191403865 153193986 /nfs/dbraw/zinc/19/39/86/153193986.db2.gz XWRPTXIQLSGJGY-OAHLLOKOSA-N 1 2 342.874 3.429 20 30 EGEDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000191927055 153231375 /nfs/dbraw/zinc/23/13/75/153231375.db2.gz SWEFBISDVDHLQV-UHFFFAOYSA-N 1 2 325.387 3.385 20 30 EGEDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000191927055 153231378 /nfs/dbraw/zinc/23/13/78/153231378.db2.gz SWEFBISDVDHLQV-UHFFFAOYSA-N 1 2 325.387 3.385 20 30 EGEDLO N#Cc1ccccc1C[NH2+][C@H](Cn1ccccc1=O)c1ccccc1 ZINC000337281522 154257813 /nfs/dbraw/zinc/25/78/13/154257813.db2.gz HVXWHTWFLSUGDN-HXUWFJFHSA-N 1 2 329.403 3.251 20 30 EGEDLO N#Cc1ccccc1OCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000345215333 156000605 /nfs/dbraw/zinc/00/06/05/156000605.db2.gz RSYUZYSSTFHAMD-LJQANCHMSA-N 1 2 326.371 3.150 20 30 EGEDLO N#Cc1ccccc1OCC[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000345215333 156000609 /nfs/dbraw/zinc/00/06/09/156000609.db2.gz RSYUZYSSTFHAMD-LJQANCHMSA-N 1 2 326.371 3.150 20 30 EGEDLO Cc1noc([C@H]([NH2+][C@H](C)c2ccc(C#N)cc2)C2CCOCC2)n1 ZINC000345319898 156053894 /nfs/dbraw/zinc/05/38/94/156053894.db2.gz CGBJJKAHSQISMT-SJKOYZFVSA-N 1 2 326.400 3.068 20 30 EGEDLO C[C@H](C(=O)Nc1nccs1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000372415190 157324456 /nfs/dbraw/zinc/32/44/56/157324456.db2.gz DNDIGEGDBLBBLV-CYBMUJFWSA-N 1 2 338.436 3.131 20 30 EGEDLO C[C@H](C(=O)Nc1nccs1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000372415190 157324463 /nfs/dbraw/zinc/32/44/63/157324463.db2.gz DNDIGEGDBLBBLV-CYBMUJFWSA-N 1 2 338.436 3.131 20 30 EGEDLO CCc1[nH+]c2cc(CNC(=O)c3ccc(C#N)[nH]3)ccc2n1C1CC1 ZINC000338678887 163316399 /nfs/dbraw/zinc/31/63/99/163316399.db2.gz ITPXJPSTGURNJT-UHFFFAOYSA-N 1 2 333.395 3.063 20 30 EGEDLO CCN(CC)C(=O)[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccccc1 ZINC000343873502 164055083 /nfs/dbraw/zinc/05/50/83/164055083.db2.gz UMMBRMJDJGFEDX-KRWDZBQOSA-N 1 2 327.453 3.319 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cccc(O)c3Cl)CC2)cc1 ZINC000350278465 165023634 /nfs/dbraw/zinc/02/36/34/165023634.db2.gz MGGMSXGIXZSIOQ-UHFFFAOYSA-N 1 2 341.842 3.235 20 30 EGEDLO C[NH+](C)[C@@H](CNc1nc2c(cc1C#N)CCC2)c1c(F)cccc1F ZINC000360266085 167285943 /nfs/dbraw/zinc/28/59/43/167285943.db2.gz OLIUTGQVDVMKKY-KRWDZBQOSA-N 1 2 342.393 3.435 20 30 EGEDLO N#Cc1cc(Br)ccc1CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000367864737 168277550 /nfs/dbraw/zinc/27/75/50/168277550.db2.gz BTCANGPXYUMXLA-CQSZACIVSA-N 1 2 331.217 3.381 20 30 EGEDLO Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000332652682 269909150 /nfs/dbraw/zinc/90/91/50/269909150.db2.gz NQZFLSKDJAXECS-OAHLLOKOSA-N 1 2 336.439 3.106 20 30 EGEDLO CC[C@H](C)C[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000330976911 270045212 /nfs/dbraw/zinc/04/52/12/270045212.db2.gz KSUARBXHLABZNV-IRXDYDNUSA-N 1 2 342.487 3.415 20 30 EGEDLO N#Cc1c(Cl)cccc1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000298313446 270043143 /nfs/dbraw/zinc/04/31/43/270043143.db2.gz PJNILWCMHYBESN-UHFFFAOYSA-N 1 2 328.803 3.055 20 30 EGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1ccc(C#N)s1 ZINC000420882726 270048769 /nfs/dbraw/zinc/04/87/69/270048769.db2.gz GSIRRPBWIXQFST-UHFFFAOYSA-N 1 2 345.472 3.000 20 30 EGEDLO CCc1nnc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)[nH]1 ZINC000449348352 270052846 /nfs/dbraw/zinc/05/28/46/270052846.db2.gz UBVQKANBGVGCSL-UHFFFAOYSA-N 1 2 347.422 3.108 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c(Cl)c1 ZINC000526135605 270059479 /nfs/dbraw/zinc/05/94/79/270059479.db2.gz VZWYZWCMTNFQJJ-CQSZACIVSA-N 1 2 332.753 3.347 20 30 EGEDLO CCN(C(=O)C1CC[NH+](CC(F)F)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000281027635 266094266 /nfs/dbraw/zinc/09/42/66/266094266.db2.gz UYKBLNXWJKQFFF-AWEZNQCLSA-N 1 2 349.425 3.445 20 30 EGEDLO CCN(C(C)=O)c1nc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cs1 ZINC000269594621 266322761 /nfs/dbraw/zinc/32/27/61/266322761.db2.gz FLXXJQRYEWLVCK-UHFFFAOYSA-N 1 2 340.452 3.166 20 30 EGEDLO COc1cc(N2CC[NH+](Cc3ccc(C#N)s3)CC2)ccc1F ZINC000282815879 266834061 /nfs/dbraw/zinc/83/40/61/266834061.db2.gz AHPNMRUDKNNRLQ-UHFFFAOYSA-N 1 2 331.416 3.090 20 30 EGEDLO C[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000290243232 267020373 /nfs/dbraw/zinc/02/03/73/267020373.db2.gz STLAAKLCNGRQGP-WBMJQRKESA-N 1 2 327.363 3.009 20 30 EGEDLO CC[N@H+](CCCNC(=O)CNc1cccc(C#N)c1)c1ccccc1 ZINC000425966879 267064086 /nfs/dbraw/zinc/06/40/86/267064086.db2.gz YIWFGSIEUUNEPC-UHFFFAOYSA-N 1 2 336.439 3.003 20 30 EGEDLO CC[N@@H+](CCCNC(=O)CNc1cccc(C#N)c1)c1ccccc1 ZINC000425966879 267064087 /nfs/dbraw/zinc/06/40/87/267064087.db2.gz YIWFGSIEUUNEPC-UHFFFAOYSA-N 1 2 336.439 3.003 20 30 EGEDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000286723755 267251236 /nfs/dbraw/zinc/25/12/36/267251236.db2.gz BFGRRBYEFGJKHE-LRDDRELGSA-N 1 2 333.407 3.185 20 30 EGEDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC000286723755 267251238 /nfs/dbraw/zinc/25/12/38/267251238.db2.gz BFGRRBYEFGJKHE-LRDDRELGSA-N 1 2 333.407 3.185 20 30 EGEDLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1ccc(C#N)cc1OC(F)F ZINC000429539203 267322534 /nfs/dbraw/zinc/32/25/34/267322534.db2.gz JTXWXMHFXIWVSZ-UHFFFAOYSA-N 1 2 346.381 3.324 20 30 EGEDLO Cc1cc2[nH+]cn(C[C@@H](O)COc3cccc(F)c3C#N)c2cc1C ZINC000270191965 267367572 /nfs/dbraw/zinc/36/75/72/267367572.db2.gz YDEMNUMKTHTVBM-CQSZACIVSA-N 1 2 339.370 3.104 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)s1)c1ccccc1F ZINC000362902553 267825301 /nfs/dbraw/zinc/82/53/01/267825301.db2.gz YDJXNCPSPAPRJJ-HNNXBMFYSA-N 1 2 340.383 3.012 20 30 EGEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(C#N)s1 ZINC000487569075 268036389 /nfs/dbraw/zinc/03/63/89/268036389.db2.gz DAQYMOFLZNDQAB-UHFFFAOYSA-N 1 2 341.436 3.013 20 30 EGEDLO Cc1cn2c([nH+]1)[C@@H](CNc1nc3ccccc3c(C)c1C#N)CCC2 ZINC000450403895 268069528 /nfs/dbraw/zinc/06/95/28/268069528.db2.gz MMJKBDJJURTZKD-OAHLLOKOSA-N 1 2 331.423 3.331 20 30 EGEDLO N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)cc1 ZINC000349530900 268093474 /nfs/dbraw/zinc/09/34/74/268093474.db2.gz WRFORRSZVKHNOS-QGZVFWFLSA-N 1 2 341.374 3.269 20 30 EGEDLO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)cc1C#N ZINC000453614885 268127675 /nfs/dbraw/zinc/12/76/75/268127675.db2.gz PRHNYOHGIUVSSI-INIZCTEOSA-N 1 2 345.244 3.391 20 30 EGEDLO Cn1cc(C[N@H+]2CCC[C@H]2c2ccc(Br)cn2)cc1C#N ZINC000453614885 268127677 /nfs/dbraw/zinc/12/76/77/268127677.db2.gz PRHNYOHGIUVSSI-INIZCTEOSA-N 1 2 345.244 3.391 20 30 EGEDLO N#Cc1cccc(NCc2ccc(N3CCCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000450255316 268282807 /nfs/dbraw/zinc/28/28/07/268282807.db2.gz YPXRXNPQIQNIGB-UHFFFAOYSA-N 1 2 337.383 3.464 20 30 EGEDLO N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCn2c[nH+]cc2C1 ZINC000368171923 274930221 /nfs/dbraw/zinc/93/02/21/274930221.db2.gz WMQVRTGRWCYCDC-UHFFFAOYSA-N 1 2 327.750 3.116 20 30 EGEDLO N#Cc1cc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)ccc1F ZINC000278697537 275266605 /nfs/dbraw/zinc/26/66/05/275266605.db2.gz RFFLLZKNMDGZEB-UHFFFAOYSA-N 1 2 344.415 3.392 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccnc4ccccc34)CC2)cc1 ZINC000535781518 314073626 /nfs/dbraw/zinc/07/36/26/314073626.db2.gz VEWHSOVULRXVLX-UHFFFAOYSA-N 1 2 342.446 3.424 20 30 EGEDLO COC(=O)c1cccc(C[N@H+](C)Cc2ccc(OC)c(C)c2)c1C#N ZINC000535964940 314085796 /nfs/dbraw/zinc/08/57/96/314085796.db2.gz WHPYBUYUVLVTQY-UHFFFAOYSA-N 1 2 338.407 3.294 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2ccc(OC)c(C)c2)c1C#N ZINC000535964940 314085799 /nfs/dbraw/zinc/08/57/99/314085799.db2.gz WHPYBUYUVLVTQY-UHFFFAOYSA-N 1 2 338.407 3.294 20 30 EGEDLO Cc1c(Cl)cnc(NCCCc2[nH+]c3ccccc3n2C)c1C#N ZINC000543138035 314606983 /nfs/dbraw/zinc/60/69/83/314606983.db2.gz CAWJUUCEEUPSMB-UHFFFAOYSA-N 1 2 339.830 3.268 20 30 EGEDLO COc1cc(C[NH2+][C@H](c2nccn2C)c2ccccc2)ccc1C#N ZINC000570471838 317060709 /nfs/dbraw/zinc/06/07/09/317060709.db2.gz VHIBLRTUKJXTFZ-IBGZPJMESA-N 1 2 332.407 3.180 20 30 EGEDLO Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C[C@H](C)n2cc[nH+]c2)c1C ZINC000575127465 324422642 /nfs/dbraw/zinc/42/26/42/324422642.db2.gz IXDWADVMOBFYLF-ZDUSSCGKSA-N 1 2 348.410 3.147 20 30 EGEDLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000264575666 455240975 /nfs/dbraw/zinc/24/09/75/455240975.db2.gz XSCYKNBXMYTAQE-OAHLLOKOSA-N 1 2 345.443 3.030 20 30 EGEDLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000264575666 455240977 /nfs/dbraw/zinc/24/09/77/455240977.db2.gz XSCYKNBXMYTAQE-OAHLLOKOSA-N 1 2 345.443 3.030 20 30 EGEDLO CC[C@H](CC#N)NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000183933082 455341922 /nfs/dbraw/zinc/34/19/22/455341922.db2.gz YIHMBUXZUYRXPO-CQSZACIVSA-N 1 2 336.439 3.035 20 30 EGEDLO CC[C@H](CC#N)NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000183933082 455341918 /nfs/dbraw/zinc/34/19/18/455341918.db2.gz YIHMBUXZUYRXPO-CQSZACIVSA-N 1 2 336.439 3.035 20 30 EGEDLO C[C@H]([NH2+][C@@H](C)c1nccs1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000174062231 455355578 /nfs/dbraw/zinc/35/55/78/455355578.db2.gz QOFQBCSYNQOWAN-STQMWFEESA-N 1 2 346.431 3.268 20 30 EGEDLO COc1ccc(F)cc1C[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC000022798065 453699498 /nfs/dbraw/zinc/69/94/98/453699498.db2.gz LABYRIFDUOSGQW-UHFFFAOYSA-N 1 2 339.414 3.024 20 30 EGEDLO COc1ccc(F)cc1CN1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000022798065 453699499 /nfs/dbraw/zinc/69/94/99/453699499.db2.gz LABYRIFDUOSGQW-UHFFFAOYSA-N 1 2 339.414 3.024 20 30 EGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1ccco1 ZINC000030277167 453834886 /nfs/dbraw/zinc/83/48/86/453834886.db2.gz IDBOYOUSACSDBN-NSHDSACASA-N 1 2 329.425 3.160 20 30 EGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1ccco1 ZINC000030277167 453834887 /nfs/dbraw/zinc/83/48/87/453834887.db2.gz IDBOYOUSACSDBN-NSHDSACASA-N 1 2 329.425 3.160 20 30 EGEDLO N#Cc1cccc(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000032484229 453875501 /nfs/dbraw/zinc/87/55/01/453875501.db2.gz XDFCVXNNMAZXQN-UHFFFAOYSA-N 1 2 339.826 3.170 20 30 EGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cccc(Cl)n2)CC1 ZINC000075587948 453908380 /nfs/dbraw/zinc/90/83/80/453908380.db2.gz UCXMMBRIMXVAKI-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[NH2+]C1(c2nccs2)CCCC1 ZINC000083215048 453943964 /nfs/dbraw/zinc/94/39/64/453943964.db2.gz UPNWYOJVXRYUBF-UHFFFAOYSA-N 1 2 332.454 3.074 20 30 EGEDLO O=C(NCCn1cc[nH+]c1)Nc1cccc(C#Cc2ccccc2)c1 ZINC000076097478 453963175 /nfs/dbraw/zinc/96/31/75/453963175.db2.gz ZFBGBAGACCYZPG-UHFFFAOYSA-N 1 2 330.391 3.105 20 30 EGEDLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000184534892 455397873 /nfs/dbraw/zinc/39/78/73/455397873.db2.gz LUAMQGJDXHZEHV-XHDPSFHLSA-N 1 2 347.802 3.109 20 30 EGEDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000069661959 454130817 /nfs/dbraw/zinc/13/08/17/454130817.db2.gz JMRWTHGPFXLXMM-HNNXBMFYSA-N 1 2 342.464 3.090 20 30 EGEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000069661959 454130820 /nfs/dbraw/zinc/13/08/20/454130820.db2.gz JMRWTHGPFXLXMM-HNNXBMFYSA-N 1 2 342.464 3.090 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(C#N)CC1 ZINC000057907768 454156492 /nfs/dbraw/zinc/15/64/92/454156492.db2.gz VWQYIGPEQGXOIS-LLVKDONJSA-N 1 2 336.233 3.012 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)s1 ZINC000046171345 454225100 /nfs/dbraw/zinc/22/51/00/454225100.db2.gz QDMKXSVSSQUPRI-XHDPSFHLSA-N 1 2 327.881 3.276 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000046171345 454225102 /nfs/dbraw/zinc/22/51/02/454225102.db2.gz QDMKXSVSSQUPRI-XHDPSFHLSA-N 1 2 327.881 3.276 20 30 EGEDLO N#Cc1ccccc1-c1ccccc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000072283905 454283514 /nfs/dbraw/zinc/28/35/14/454283514.db2.gz HHRCYARCARAECQ-UHFFFAOYSA-N 1 2 328.375 3.119 20 30 EGEDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000060467107 454292775 /nfs/dbraw/zinc/29/27/75/454292775.db2.gz NVFZTXSGEXGRBC-ZDUSSCGKSA-N 1 2 328.366 3.115 20 30 EGEDLO C=CC[N@@H+](Cc1cc(=O)n2c(C)csc2n1)Cc1ccccc1F ZINC000120581615 454322017 /nfs/dbraw/zinc/32/20/17/454322017.db2.gz ZAHSMESRENTDFN-UHFFFAOYSA-N 1 2 343.427 3.392 20 30 EGEDLO C=CC[N@H+](Cc1cc(=O)n2c(C)csc2n1)Cc1ccccc1F ZINC000120581615 454322020 /nfs/dbraw/zinc/32/20/20/454322020.db2.gz ZAHSMESRENTDFN-UHFFFAOYSA-N 1 2 343.427 3.392 20 30 EGEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(Cl)s1 ZINC000078815882 454324057 /nfs/dbraw/zinc/32/40/57/454324057.db2.gz ZQQZZKMNDHNFFS-UHFFFAOYSA-N 1 2 325.865 3.176 20 30 EGEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(Cl)s1 ZINC000078815882 454324060 /nfs/dbraw/zinc/32/40/60/454324060.db2.gz ZQQZZKMNDHNFFS-UHFFFAOYSA-N 1 2 325.865 3.176 20 30 EGEDLO C[C@H]1SCC[N@H+](CC(=O)Nc2ccccc2SCC#N)[C@H]1C ZINC000072665673 454324870 /nfs/dbraw/zinc/32/48/70/454324870.db2.gz MFOGCGQVPGISNV-QWHCGFSZSA-N 1 2 335.498 3.067 20 30 EGEDLO C[C@H]1SCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)[C@H]1C ZINC000072665673 454324874 /nfs/dbraw/zinc/32/48/74/454324874.db2.gz MFOGCGQVPGISNV-QWHCGFSZSA-N 1 2 335.498 3.067 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000072692840 454330002 /nfs/dbraw/zinc/33/00/02/454330002.db2.gz SHVXWCGOKYATAU-UHFFFAOYSA-N 1 2 326.444 3.155 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000072692840 454330003 /nfs/dbraw/zinc/33/00/03/454330003.db2.gz SHVXWCGOKYATAU-UHFFFAOYSA-N 1 2 326.444 3.155 20 30 EGEDLO CCCOc1ccc(/C=N/[C@@H]2CCN(c3cccc[nH+]3)C2)c(O)c1 ZINC000133114384 454394436 /nfs/dbraw/zinc/39/44/36/454394436.db2.gz GSIZYXRLVWHQBL-WMRWHDLOSA-N 1 2 325.412 3.274 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCc1ccccc1F)Cc1cccc(C#N)c1 ZINC000063300536 454403291 /nfs/dbraw/zinc/40/32/91/454403291.db2.gz QKBNRQDBILOVAJ-UHFFFAOYSA-N 1 2 337.398 3.002 20 30 EGEDLO C=CC[N@H+](CC(=O)NCc1ccccc1F)Cc1cccc(C#N)c1 ZINC000063300536 454403298 /nfs/dbraw/zinc/40/32/98/454403298.db2.gz QKBNRQDBILOVAJ-UHFFFAOYSA-N 1 2 337.398 3.002 20 30 EGEDLO C=CC[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)Cc1cccc(C#N)c1 ZINC000063300754 454403436 /nfs/dbraw/zinc/40/34/36/454403436.db2.gz HPKDZFSJVINNJL-VQIMIIECSA-N 1 2 325.456 3.241 20 30 EGEDLO C=CC[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)Cc1cccc(C#N)c1 ZINC000063300754 454403442 /nfs/dbraw/zinc/40/34/42/454403442.db2.gz HPKDZFSJVINNJL-VQIMIIECSA-N 1 2 325.456 3.241 20 30 EGEDLO C=CC[N@@H+](C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000121235963 454410533 /nfs/dbraw/zinc/41/05/33/454410533.db2.gz SWAGSHUTOZRSIB-CQSZACIVSA-N 1 2 329.425 3.137 20 30 EGEDLO C=CC[N@H+](C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000121235963 454410537 /nfs/dbraw/zinc/41/05/37/454410537.db2.gz SWAGSHUTOZRSIB-CQSZACIVSA-N 1 2 329.425 3.137 20 30 EGEDLO N#Cc1cccc(Oc2ccc(NC(=O)NCc3[nH]cc[nH+]3)cc2)c1 ZINC000092034862 454506298 /nfs/dbraw/zinc/50/62/98/454506298.db2.gz AVGLBAWGILYMKO-UHFFFAOYSA-N 1 2 333.351 3.395 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(OCCCC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361417 454555922 /nfs/dbraw/zinc/55/59/22/454555922.db2.gz WNJKDKVVRJXLKH-QGZVFWFLSA-N 1 2 337.485 3.041 20 30 EGEDLO C=CC[N@H+](Cc1ccc(OCCCC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361417 454555929 /nfs/dbraw/zinc/55/59/29/454555929.db2.gz WNJKDKVVRJXLKH-QGZVFWFLSA-N 1 2 337.485 3.041 20 30 EGEDLO C=CC[N@@H+](Cc1cc2cc(C)c(C)cc2o1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361424 454556469 /nfs/dbraw/zinc/55/64/69/454556469.db2.gz BIOKDGFPFDXPOB-MRXNPFEDSA-N 1 2 333.453 3.225 20 30 EGEDLO C=CC[N@H+](Cc1cc2cc(C)c(C)cc2o1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361424 454556474 /nfs/dbraw/zinc/55/64/74/454556474.db2.gz BIOKDGFPFDXPOB-MRXNPFEDSA-N 1 2 333.453 3.225 20 30 EGEDLO N#Cc1ccc(CCC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000080442237 454582259 /nfs/dbraw/zinc/58/22/59/454582259.db2.gz HLJXMOPUKQUSBN-UHFFFAOYSA-N 1 2 334.354 3.454 20 30 EGEDLO Cc1ccccc1NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104715361 454598046 /nfs/dbraw/zinc/59/80/46/454598046.db2.gz LHYFATBPWPCFTR-UHFFFAOYSA-N 1 2 349.434 3.349 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000107179094 454746043 /nfs/dbraw/zinc/74/60/43/454746043.db2.gz HZSUOERVFDBVPJ-INIZCTEOSA-N 1 2 331.460 3.059 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(OCCC(C)C)CC1 ZINC000177011871 454811269 /nfs/dbraw/zinc/81/12/69/454811269.db2.gz FGJATLXSZZYFSM-LJQANCHMSA-N 1 2 344.455 3.299 20 30 EGEDLO Cc1csc(C(C)(C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)n1 ZINC000177190218 454834869 /nfs/dbraw/zinc/83/48/69/454834869.db2.gz IURPOLYMXKDBPH-UHFFFAOYSA-N 1 2 348.497 3.465 20 30 EGEDLO COc1cc2c(cc1OC)C[N@H+](Cc1ccc(F)c(C#N)c1)CC2 ZINC000160509460 455467363 /nfs/dbraw/zinc/46/73/63/455467363.db2.gz TVXXAUJPAGPBKV-UHFFFAOYSA-N 1 2 326.371 3.273 20 30 EGEDLO COc1cc2c(cc1OC)C[N@@H+](Cc1ccc(F)c(C#N)c1)CC2 ZINC000160509460 455467367 /nfs/dbraw/zinc/46/73/67/455467367.db2.gz TVXXAUJPAGPBKV-UHFFFAOYSA-N 1 2 326.371 3.273 20 30 EGEDLO COc1cc(C#N)ccc1C[N@@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000182235795 455468864 /nfs/dbraw/zinc/46/88/64/455468864.db2.gz XSYRTERUOMKFAF-UHFFFAOYSA-N 1 2 341.377 3.025 20 30 EGEDLO COc1cc(C#N)ccc1C[N@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000182235795 455468868 /nfs/dbraw/zinc/46/88/68/455468868.db2.gz XSYRTERUOMKFAF-UHFFFAOYSA-N 1 2 341.377 3.025 20 30 EGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000126366553 454889052 /nfs/dbraw/zinc/88/90/52/454889052.db2.gz YKZHVEJVIXPIIM-UHFFFAOYSA-N 1 2 347.418 3.485 20 30 EGEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000126366553 454889058 /nfs/dbraw/zinc/88/90/58/454889058.db2.gz YKZHVEJVIXPIIM-UHFFFAOYSA-N 1 2 347.418 3.485 20 30 EGEDLO N#CC[N@@H+](C[C@H](O)CO[C@H]1CCCc2ccccc21)C1CCCC1 ZINC000151125833 454941588 /nfs/dbraw/zinc/94/15/88/454941588.db2.gz KOQOEPVWPVPWRS-ICSRJNTNSA-N 1 2 328.456 3.210 20 30 EGEDLO N#CC[N@H+](C[C@H](O)CO[C@H]1CCCc2ccccc21)C1CCCC1 ZINC000151125833 454941590 /nfs/dbraw/zinc/94/15/90/454941590.db2.gz KOQOEPVWPVPWRS-ICSRJNTNSA-N 1 2 328.456 3.210 20 30 EGEDLO COc1cccc(/C=[NH+]/C[C@H](NC(=O)OC(C)(C)C)C(C)C)c1O ZINC000115184056 455001764 /nfs/dbraw/zinc/00/17/64/455001764.db2.gz HBRNQNUZYYYIRF-FVOVHSBVSA-N 1 2 336.432 3.369 20 30 EGEDLO C=CCC[C@@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC000155981271 455069281 /nfs/dbraw/zinc/06/92/81/455069281.db2.gz PWZNQNQCAIZOPD-GOSISDBHSA-N 1 2 345.487 3.104 20 30 EGEDLO N#CCc1cccc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1 ZINC000171728640 455089584 /nfs/dbraw/zinc/08/95/84/455089584.db2.gz IOXZHLXEWIJLOO-UHFFFAOYSA-N 1 2 348.450 3.458 20 30 EGEDLO Cc1ncsc1C[N@@H+](C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000171750799 455091190 /nfs/dbraw/zinc/09/11/90/455091190.db2.gz MNXUIYNXXJJGBJ-DBQDNQAGSA-N 1 2 348.516 3.203 20 30 EGEDLO Cc1ncsc1C[N@H+](C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000171750799 455091194 /nfs/dbraw/zinc/09/11/94/455091194.db2.gz MNXUIYNXXJJGBJ-DBQDNQAGSA-N 1 2 348.516 3.203 20 30 EGEDLO CCOC(=O)Nc1ccc2c(C[N@H+](C)[C@@H](C)CC#N)cc(=O)oc2c1 ZINC000129667904 455121260 /nfs/dbraw/zinc/12/12/60/455121260.db2.gz KCRYVNAGWOCNON-LBPRGKRZSA-N 1 2 343.383 3.095 20 30 EGEDLO CCOC(=O)Nc1ccc2c(C[N@@H+](C)[C@@H](C)CC#N)cc(=O)oc2c1 ZINC000129667904 455121263 /nfs/dbraw/zinc/12/12/63/455121263.db2.gz KCRYVNAGWOCNON-LBPRGKRZSA-N 1 2 343.383 3.095 20 30 EGEDLO COc1ccc2c(c1)[nH+]ccc2OCC(=O)Nc1cccc(C#N)c1 ZINC000156985396 455160081 /nfs/dbraw/zinc/16/00/81/455160081.db2.gz VBIIKACCNYNXSX-UHFFFAOYSA-N 1 2 333.347 3.133 20 30 EGEDLO C=CCCC[C@@H](C)NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000180416503 455165542 /nfs/dbraw/zinc/16/55/42/455165542.db2.gz CGTLRXCLBQXBMX-MJGOQNOKSA-N 1 2 345.487 3.104 20 30 EGEDLO CN(CCC#N)c1ccc(C[NH2+][C@@H](CO)c2c(F)cccc2F)cc1 ZINC000265261853 455303198 /nfs/dbraw/zinc/30/31/98/455303198.db2.gz QWYPVIICHQGORJ-SFHVURJKSA-N 1 2 345.393 3.138 20 30 EGEDLO C=C(C)CN(CC)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000159200409 455360329 /nfs/dbraw/zinc/36/03/29/455360329.db2.gz BBUZEXHKRQSLOQ-UHFFFAOYSA-N 1 2 328.416 3.392 20 30 EGEDLO C[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1nnnn1-c1ccccc1 ZINC000184815246 455453137 /nfs/dbraw/zinc/45/31/37/455453137.db2.gz JEIWEDOOYZNDFO-AWEZNQCLSA-N 1 2 337.814 3.018 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184861716 455462771 /nfs/dbraw/zinc/46/27/71/455462771.db2.gz RBKGRFIDGFVYQC-IFXJQAMLSA-N 1 2 340.427 3.047 20 30 EGEDLO C=CCc1cc(C[N@@H+]([C@@H](C)C(=O)OCC)C2CC2)cc(OC)c1O ZINC000191714400 455511546 /nfs/dbraw/zinc/51/15/46/455511546.db2.gz DXNLYRRPFFVXLF-ZDUSSCGKSA-N 1 2 333.428 3.045 20 30 EGEDLO C=CCc1cc(C[N@H+]([C@@H](C)C(=O)OCC)C2CC2)cc(OC)c1O ZINC000191714400 455511551 /nfs/dbraw/zinc/51/15/51/455511551.db2.gz DXNLYRRPFFVXLF-ZDUSSCGKSA-N 1 2 333.428 3.045 20 30 EGEDLO C[C@H](c1cnn(C)c1)[N@H+](C)Cc1cc(C#N)ccc1Br ZINC000191823019 455522773 /nfs/dbraw/zinc/52/27/73/455522773.db2.gz KPSLTQUFLBRVEF-LLVKDONJSA-N 1 2 333.233 3.247 20 30 EGEDLO C[C@H](c1cnn(C)c1)[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000191823019 455522775 /nfs/dbraw/zinc/52/27/75/455522775.db2.gz KPSLTQUFLBRVEF-LLVKDONJSA-N 1 2 333.233 3.247 20 30 EGEDLO COc1cc(N[C@H]2CCC[N@H+](C[C@@H](C#N)CCC#N)C2)cc(OC)c1 ZINC000246937068 455537142 /nfs/dbraw/zinc/53/71/42/455537142.db2.gz TZXXUAVTIQXKCP-CVEARBPZSA-N 1 2 342.443 3.024 20 30 EGEDLO COc1cc(N[C@H]2CCC[N@@H+](C[C@@H](C#N)CCC#N)C2)cc(OC)c1 ZINC000246937068 455537146 /nfs/dbraw/zinc/53/71/46/455537146.db2.gz TZXXUAVTIQXKCP-CVEARBPZSA-N 1 2 342.443 3.024 20 30 EGEDLO Cc1nc(N2CC[NH+]([C@H](C)c3cccnc3)CC2)c(Cl)cc1C#N ZINC000292583774 455704486 /nfs/dbraw/zinc/70/44/86/455704486.db2.gz LFMOUSIEWWYLKI-CQSZACIVSA-N 1 2 341.846 3.193 20 30 EGEDLO N#CC1CC[NH+]([C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000186304041 455738792 /nfs/dbraw/zinc/73/87/92/455738792.db2.gz UGFFMLBZWDBKMW-HNNXBMFYSA-N 1 2 337.345 3.046 20 30 EGEDLO COc1cc[nH+]cc1CNc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000292825295 455762890 /nfs/dbraw/zinc/76/28/90/455762890.db2.gz TYCHKSJYXJKURA-UHFFFAOYSA-N 1 2 347.422 3.500 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000249722990 455768797 /nfs/dbraw/zinc/76/87/97/455768797.db2.gz NWLRSAPBJRNEGL-IIDMSEBBSA-N 1 2 343.471 3.376 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000249722990 455768803 /nfs/dbraw/zinc/76/88/03/455768803.db2.gz NWLRSAPBJRNEGL-IIDMSEBBSA-N 1 2 343.471 3.376 20 30 EGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000278191212 455783138 /nfs/dbraw/zinc/78/31/38/455783138.db2.gz DPFURAYHVRIVEG-CRAIPNDOSA-N 1 2 325.412 3.221 20 30 EGEDLO C=CCOCCCC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000294531142 455819558 /nfs/dbraw/zinc/81/95/58/455819558.db2.gz VGIYRFMWEPOJSA-UHFFFAOYSA-N 1 2 333.819 3.125 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285390173 455834912 /nfs/dbraw/zinc/83/49/12/455834912.db2.gz BWGFJQLKOLVWOB-AWEZNQCLSA-N 1 2 332.753 3.491 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285390173 455834914 /nfs/dbraw/zinc/83/49/14/455834914.db2.gz BWGFJQLKOLVWOB-AWEZNQCLSA-N 1 2 332.753 3.491 20 30 EGEDLO CC(C)(C)c1ncc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)s1 ZINC000194387884 455835519 /nfs/dbraw/zinc/83/55/19/455835519.db2.gz BIRFBIWIPBVDSL-UHFFFAOYSA-N 1 2 341.484 3.029 20 30 EGEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1nc(C(F)(F)F)cs1 ZINC000269794040 455854203 /nfs/dbraw/zinc/85/42/03/455854203.db2.gz AXPAHVZLOMEPGM-QMMMGPOBSA-N 1 2 325.356 3.012 20 30 EGEDLO C[C@H]([NH2+]CCC(C#N)(c1ccccc1)c1ccccc1)c1ncn(C)n1 ZINC000278948704 455854234 /nfs/dbraw/zinc/85/42/34/455854234.db2.gz YRNOORZSCJVDKK-KRWDZBQOSA-N 1 2 345.450 3.366 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270049023 455865633 /nfs/dbraw/zinc/86/56/33/455865633.db2.gz DSTHODYEGQDFNR-RDJZCZTQSA-N 1 2 341.455 3.317 20 30 EGEDLO C=CCC[C@H](NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000279492693 455865768 /nfs/dbraw/zinc/86/57/68/455865768.db2.gz NKFQNOVZGNZCOS-HKUYNNGSSA-N 1 2 345.487 3.056 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@]1(C#N)CCC[C@H](C)C1 ZINC000280016310 455880754 /nfs/dbraw/zinc/88/07/54/455880754.db2.gz FGEGINKDQQHKPQ-BBATYDOGSA-N 1 2 346.381 3.212 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)Nc2ccc(F)c(C#N)c2)CC1(C)C ZINC000296411763 455930503 /nfs/dbraw/zinc/93/05/03/455930503.db2.gz HPLVUFIQJHCKIR-AWEZNQCLSA-N 1 2 327.363 3.046 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCc1ccc(C#N)cc1 ZINC000280385867 455961210 /nfs/dbraw/zinc/96/12/10/455961210.db2.gz MLWTVGZPOFRSCK-KRWDZBQOSA-N 1 2 337.427 3.211 20 30 EGEDLO Cc1oc(C#N)cc1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000280537628 455993605 /nfs/dbraw/zinc/99/36/05/455993605.db2.gz CQZCHPUQCZYKQT-ZDUSSCGKSA-N 1 2 339.395 3.105 20 30 EGEDLO COC[C@H](C)n1c(C)cc(C(=O)C[NH+]2CCC(C)(C#N)CC2)c1C ZINC000272610655 456013584 /nfs/dbraw/zinc/01/35/84/456013584.db2.gz SGZNOMFHOYLDIV-HNNXBMFYSA-N 1 2 331.460 3.121 20 30 EGEDLO C=C(C)COc1cc(C[NH2+][C@@H](C)c2nnc(CC)[nH]2)ccc1OC ZINC000270729522 456025692 /nfs/dbraw/zinc/02/56/92/456025692.db2.gz QSUDPSWROAYYCK-ZDUSSCGKSA-N 1 2 330.432 3.181 20 30 EGEDLO CC(=O)N1CC[N@H+](CC#Cc2ccc(F)cc2)CC12CCCCC2 ZINC000270819025 456045177 /nfs/dbraw/zinc/04/51/77/456045177.db2.gz AUPWJTVZERGVRT-UHFFFAOYSA-N 1 2 328.431 3.044 20 30 EGEDLO CC(=O)N1CC[N@@H+](CC#Cc2ccc(F)cc2)CC12CCCCC2 ZINC000270819025 456045182 /nfs/dbraw/zinc/04/51/82/456045182.db2.gz AUPWJTVZERGVRT-UHFFFAOYSA-N 1 2 328.431 3.044 20 30 EGEDLO C=CC[C@H](CC)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000280931060 456086050 /nfs/dbraw/zinc/08/60/50/456086050.db2.gz FYDSQRQHOTYTBC-BBRMVZONSA-N 1 2 330.407 3.303 20 30 EGEDLO Cc1ccc([C@H]([NH2+]Cc2ccccc2C#N)[C@H](C)S(C)(=O)=O)cc1 ZINC000280935111 456086552 /nfs/dbraw/zinc/08/65/52/456086552.db2.gz VLXKSTZNYKIJFZ-HNAYVOBHSA-N 1 2 342.464 3.131 20 30 EGEDLO Cc1ccc([C@H]([NH2+]Cc2ccccc2C#N)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280935097 456086594 /nfs/dbraw/zinc/08/65/94/456086594.db2.gz VLXKSTZNYKIJFZ-DNVCBOLYSA-N 1 2 342.464 3.131 20 30 EGEDLO C=CC[C@@H]1[N@@H+](CC2=Nc3ccccc3S(=O)(=O)N2)CCCC1(C)C ZINC000332533727 456088305 /nfs/dbraw/zinc/08/83/05/456088305.db2.gz WWVDPODMZQGROG-INIZCTEOSA-N 1 2 347.484 3.075 20 30 EGEDLO C=CC[C@@H]1[N@H+](CC2=Nc3ccccc3S(=O)(=O)N2)CCCC1(C)C ZINC000332533727 456088307 /nfs/dbraw/zinc/08/83/07/456088307.db2.gz WWVDPODMZQGROG-INIZCTEOSA-N 1 2 347.484 3.075 20 30 EGEDLO C#CCOc1ccc(C[N@H+](C)Cc2nccn2CC(F)(F)F)cc1 ZINC000271165791 456151391 /nfs/dbraw/zinc/15/13/91/456151391.db2.gz RTXDRNMMHHUUHL-UHFFFAOYSA-N 1 2 337.345 3.089 20 30 EGEDLO C#CCOc1ccc(C[N@@H+](C)Cc2nccn2CC(F)(F)F)cc1 ZINC000271165791 456151395 /nfs/dbraw/zinc/15/13/95/456151395.db2.gz RTXDRNMMHHUUHL-UHFFFAOYSA-N 1 2 337.345 3.089 20 30 EGEDLO CN(CCCn1cc[nH+]c1)c1c(C#N)cnc2ccc(Cl)cc21 ZINC000301697972 456189977 /nfs/dbraw/zinc/18/99/77/456189977.db2.gz OACURGRYQVKQER-UHFFFAOYSA-N 1 2 325.803 3.483 20 30 EGEDLO COc1ccc2c(c1F)C/C(=C/c1[nH+]ccn1CC(F)(F)F)C2=O ZINC000289974938 456202918 /nfs/dbraw/zinc/20/29/18/456202918.db2.gz RIMUWORPWLJCNF-CLFYSBASSA-N 1 2 340.276 3.416 20 30 EGEDLO C[N@@H+]1CCO[C@H]([C@H](Nc2ncccc2C#N)c2ccc(Cl)cc2)C1 ZINC000301880962 456240771 /nfs/dbraw/zinc/24/07/71/456240771.db2.gz KCHRYRCNJLPXCM-DLBZAZTESA-N 1 2 342.830 3.090 20 30 EGEDLO C[N@H+]1CCO[C@H]([C@H](Nc2ncccc2C#N)c2ccc(Cl)cc2)C1 ZINC000301880962 456240776 /nfs/dbraw/zinc/24/07/76/456240776.db2.gz KCHRYRCNJLPXCM-DLBZAZTESA-N 1 2 342.830 3.090 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)Nc2ccc(C#N)c(F)c2)CC1(C)C ZINC000297553269 456249850 /nfs/dbraw/zinc/24/98/50/456249850.db2.gz ZKARGZAQRGEZIY-AWEZNQCLSA-N 1 2 327.363 3.046 20 30 EGEDLO C#CC[N@@H+](Cc1nc(-c2cccc(Br)c2)no1)C1CC1 ZINC000274191738 456252873 /nfs/dbraw/zinc/25/28/73/456252873.db2.gz QFQMJHIBEGNGKU-UHFFFAOYSA-N 1 2 332.201 3.097 20 30 EGEDLO C#CC[N@H+](Cc1nc(-c2cccc(Br)c2)no1)C1CC1 ZINC000274191738 456252878 /nfs/dbraw/zinc/25/28/78/456252878.db2.gz QFQMJHIBEGNGKU-UHFFFAOYSA-N 1 2 332.201 3.097 20 30 EGEDLO COc1ccc([NH+]2CCC(Nc3nc4ccccn4c3C#N)CC2)cc1 ZINC000302103929 456287888 /nfs/dbraw/zinc/28/78/88/456287888.db2.gz RATHFUHSRSJWNG-UHFFFAOYSA-N 1 2 347.422 3.295 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(C(=O)OC)s1 ZINC000352788921 456309633 /nfs/dbraw/zinc/30/96/33/456309633.db2.gz BFGAPXSTJLVXGW-UHFFFAOYSA-N 1 2 335.425 3.198 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C(=O)OC)s1 ZINC000352788921 456309643 /nfs/dbraw/zinc/30/96/43/456309643.db2.gz BFGAPXSTJLVXGW-UHFFFAOYSA-N 1 2 335.425 3.198 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+]2CCc3c(Br)cccc3[C@@H]2C)C1=O ZINC000337167280 456332071 /nfs/dbraw/zinc/33/20/71/456332071.db2.gz AUBITMVDDZCQNB-BLLLJJGKSA-N 1 2 349.272 3.155 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+]2CCc3c(Br)cccc3[C@@H]2C)C1=O ZINC000337167280 456332076 /nfs/dbraw/zinc/33/20/76/456332076.db2.gz AUBITMVDDZCQNB-BLLLJJGKSA-N 1 2 349.272 3.155 20 30 EGEDLO CC#CCC[N@H+](CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000337431248 456352018 /nfs/dbraw/zinc/35/20/18/456352018.db2.gz ZAFBKVXRHVMHQV-UHFFFAOYSA-N 1 2 327.255 3.345 20 30 EGEDLO CC#CCC[N@@H+](CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000337431248 456352022 /nfs/dbraw/zinc/35/20/22/456352022.db2.gz ZAFBKVXRHVMHQV-UHFFFAOYSA-N 1 2 327.255 3.345 20 30 EGEDLO C[C@H]1CN(c2ccc(NCc3cc(C#N)cs3)c[nH+]2)C[C@H](C)O1 ZINC000347810874 456380450 /nfs/dbraw/zinc/38/04/50/456380450.db2.gz LTLQOWAMFITFIV-STQMWFEESA-N 1 2 328.441 3.240 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000302742962 456390159 /nfs/dbraw/zinc/39/01/59/456390159.db2.gz BXWPXMOMCVEXHI-UHFFFAOYSA-N 1 2 349.906 3.195 20 30 EGEDLO C=C[C@](C)(CC)c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000276212134 456415183 /nfs/dbraw/zinc/41/51/83/456415183.db2.gz PIGQEFJAWZKORW-QFBILLFUSA-N 1 2 327.428 3.497 20 30 EGEDLO C=C[C@](C)(CC)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000276212134 456415188 /nfs/dbraw/zinc/41/51/88/456415188.db2.gz PIGQEFJAWZKORW-QFBILLFUSA-N 1 2 327.428 3.497 20 30 EGEDLO COc1cc(C[N@H+](C)CC(=O)Nc2c(C)cccc2C)ccc1C#N ZINC000282119190 456417126 /nfs/dbraw/zinc/41/71/26/456417126.db2.gz APBXFAXTUIBEAO-UHFFFAOYSA-N 1 2 337.423 3.254 20 30 EGEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2C)ccc1C#N ZINC000282119190 456417136 /nfs/dbraw/zinc/41/71/36/456417136.db2.gz APBXFAXTUIBEAO-UHFFFAOYSA-N 1 2 337.423 3.254 20 30 EGEDLO Cc1cc(Br)cn2cc(CNc3ccc(C#N)nc3)[nH+]c12 ZINC000353276801 456605147 /nfs/dbraw/zinc/60/51/47/456605147.db2.gz SMKMNPFYGGRKND-UHFFFAOYSA-N 1 2 342.200 3.284 20 30 EGEDLO Cc1ncc(CO)c(/C=[NH+]/C[C@@H]2CCCO[C@@H]2c2ccccc2)c1O ZINC000299204493 456631039 /nfs/dbraw/zinc/63/10/39/456631039.db2.gz CCOHIQOSOZVTPU-YYSLLMGBSA-N 1 2 340.423 3.175 20 30 EGEDLO Cc1ccnc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1C#N ZINC000343514524 456673410 /nfs/dbraw/zinc/67/34/10/456673410.db2.gz RSMTYYNPPJUVDU-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO Cc1cccc([C@@H](CNc2nccc(C)c2C#N)[NH+]2CCOCC2)c1 ZINC000343522984 456681239 /nfs/dbraw/zinc/68/12/39/456681239.db2.gz XEGZCTVFLKFGEI-LJQANCHMSA-N 1 2 336.439 3.056 20 30 EGEDLO C=CC[N@H+](Cc1nc(C)c(C)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000343566659 456710755 /nfs/dbraw/zinc/71/07/55/456710755.db2.gz ITGPKGFGTLERNX-AWEZNQCLSA-N 1 2 338.415 3.016 20 30 EGEDLO C=CC[N@@H+](Cc1nc(C)c(C)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000343566659 456710761 /nfs/dbraw/zinc/71/07/61/456710761.db2.gz ITGPKGFGTLERNX-AWEZNQCLSA-N 1 2 338.415 3.016 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(Cc1cccnc1)C(C)C)CCC2 ZINC000328666265 456732834 /nfs/dbraw/zinc/73/28/34/456732834.db2.gz ZTRIYFPFTIOTLA-KRWDZBQOSA-N 1 2 341.459 3.289 20 30 EGEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC1CCCCC1 ZINC000328700712 456739898 /nfs/dbraw/zinc/73/98/98/456739898.db2.gz MXPVZAWOMANVPE-SJORKVTESA-N 1 2 328.460 3.329 20 30 EGEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC1CCCCC1 ZINC000328700712 456739904 /nfs/dbraw/zinc/73/99/04/456739904.db2.gz MXPVZAWOMANVPE-SJORKVTESA-N 1 2 328.460 3.329 20 30 EGEDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000328777063 456758670 /nfs/dbraw/zinc/75/86/70/456758670.db2.gz FVADEFKWIUKATG-HZMVEIRTSA-N 1 2 328.460 3.133 20 30 EGEDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCOCC23CCCC3)cc1C ZINC000328926564 456792524 /nfs/dbraw/zinc/79/25/24/456792524.db2.gz OXSPWQHKFPMWFM-UHFFFAOYSA-N 1 2 345.443 3.437 20 30 EGEDLO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCOCC23CCCC3)cc1C ZINC000328926564 456792528 /nfs/dbraw/zinc/79/25/28/456792528.db2.gz OXSPWQHKFPMWFM-UHFFFAOYSA-N 1 2 345.443 3.437 20 30 EGEDLO C[C@H]1C[C@@H](C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CCC1=O ZINC000328936596 456795701 /nfs/dbraw/zinc/79/57/01/456795701.db2.gz FYYTYQMKFCSSPU-RDJZCZTQSA-N 1 2 343.471 3.027 20 30 EGEDLO N#Cc1cc(F)c(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c(F)c1 ZINC000301166572 456812045 /nfs/dbraw/zinc/81/20/45/456812045.db2.gz CTGDBXCPJCGNQK-SFHVURJKSA-N 1 2 343.377 3.322 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccccc1CC#N ZINC000344358493 456821363 /nfs/dbraw/zinc/82/13/63/456821363.db2.gz LPTOFTPDQSBRGK-UHFFFAOYSA-N 1 2 340.333 3.328 20 30 EGEDLO Cc1noc([C@H]2CC[N@H+](CC(=O)NCc3ccc(Cl)s3)C2)n1 ZINC000329051724 456823140 /nfs/dbraw/zinc/82/31/40/456823140.db2.gz RLHQOYLRBZMEOP-JTQLQIEISA-N 1 2 340.836 3.039 20 30 EGEDLO Cc1noc([C@H]2CC[N@@H+](CC(=O)NCc3ccc(Cl)s3)C2)n1 ZINC000329051724 456823144 /nfs/dbraw/zinc/82/31/44/456823144.db2.gz RLHQOYLRBZMEOP-JTQLQIEISA-N 1 2 340.836 3.039 20 30 EGEDLO O=C(CC1CCCC1)NC1CC[NH+](Cc2nnc3n2CCCC3)CC1 ZINC000329216301 456855260 /nfs/dbraw/zinc/85/52/60/456855260.db2.gz OGHXQDBJDPEWLZ-UHFFFAOYSA-N 1 2 345.491 3.116 20 30 EGEDLO Cc1cc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)cc(C#N)n1 ZINC000341364663 456857467 /nfs/dbraw/zinc/85/74/67/456857467.db2.gz VODFVSVFSLOGJA-UHFFFAOYSA-N 1 2 332.860 3.299 20 30 EGEDLO C=CCCOCCCCC(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000338928528 456867094 /nfs/dbraw/zinc/86/70/94/456867094.db2.gz VRFDTEJNOAFXDN-UHFFFAOYSA-N 1 2 330.432 3.330 20 30 EGEDLO Cc1noc([C@H]2CCC[N@@H+]2Cc2cccc(OCCCC#N)c2)n1 ZINC000348819709 456870167 /nfs/dbraw/zinc/87/01/67/456870167.db2.gz YMOHQLZFEHBHIR-QGZVFWFLSA-N 1 2 326.400 3.398 20 30 EGEDLO Cc1noc([C@H]2CCC[N@H+]2Cc2cccc(OCCCC#N)c2)n1 ZINC000348819709 456870171 /nfs/dbraw/zinc/87/01/71/456870171.db2.gz YMOHQLZFEHBHIR-QGZVFWFLSA-N 1 2 326.400 3.398 20 30 EGEDLO C[C@@H](C1CC1)n1cc(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)cn1 ZINC000329364098 456879303 /nfs/dbraw/zinc/87/93/03/456879303.db2.gz FVRRIYOUWIYZBS-SUMWQHHRSA-N 1 2 332.448 3.086 20 30 EGEDLO C[C@@H](C1CC1)n1cc(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)cn1 ZINC000329364098 456879307 /nfs/dbraw/zinc/87/93/07/456879307.db2.gz FVRRIYOUWIYZBS-SUMWQHHRSA-N 1 2 332.448 3.086 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@@H]1C1CCC1)C1CCOCC1 ZINC000329489592 456898395 /nfs/dbraw/zinc/89/83/95/456898395.db2.gz SERPNOXGJSIQHD-IAGOWNOFSA-N 1 2 346.475 3.066 20 30 EGEDLO CC1(C)CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)[C@H]1c1cccs1 ZINC000329585327 456912498 /nfs/dbraw/zinc/91/24/98/456912498.db2.gz YCCLATGQDFTUGU-DOMZBBRYSA-N 1 2 330.457 3.257 20 30 EGEDLO C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329641967 456920372 /nfs/dbraw/zinc/92/03/72/456920372.db2.gz CTQRLESODFWGCJ-FDQGKXFDSA-N 1 2 330.428 3.109 20 30 EGEDLO C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329641967 456920377 /nfs/dbraw/zinc/92/03/77/456920377.db2.gz CTQRLESODFWGCJ-FDQGKXFDSA-N 1 2 330.428 3.109 20 30 EGEDLO C[C@@H]1C[C@H](C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC(=O)N1 ZINC000329695699 456929124 /nfs/dbraw/zinc/92/91/24/456929124.db2.gz XOVNZVUODOPOAY-AGIUHOORSA-N 1 2 332.448 3.207 20 30 EGEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000345114148 456931045 /nfs/dbraw/zinc/93/10/45/456931045.db2.gz BBMWDUJXCFCQKW-CQSZACIVSA-N 1 2 325.437 3.139 20 30 EGEDLO CN(C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000329757454 456936544 /nfs/dbraw/zinc/93/65/44/456936544.db2.gz ZIVUAXDCEWVLGV-UTUOFQBUSA-N 1 2 344.381 3.234 20 30 EGEDLO CN(C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000329757454 456936548 /nfs/dbraw/zinc/93/65/48/456936548.db2.gz ZIVUAXDCEWVLGV-UTUOFQBUSA-N 1 2 344.381 3.234 20 30 EGEDLO N#CC[C@H](CC(=O)NCCc1cn2ccccc2[nH+]1)c1ccccc1 ZINC000353855879 456937024 /nfs/dbraw/zinc/93/70/24/456937024.db2.gz HBUBQCAASSNDNM-QGZVFWFLSA-N 1 2 332.407 3.081 20 30 EGEDLO CC1(C)[C@H](NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)[C@@H]2CCCO[C@@H]21 ZINC000329809573 456944395 /nfs/dbraw/zinc/94/43/95/456944395.db2.gz QCWOATDMQYFZSF-YJNKXOJESA-N 1 2 332.448 3.054 20 30 EGEDLO Cc1nc(NC(=O)[C@H]2C[N@H+](C)CCO2)sc1Cc1cccc(F)c1 ZINC000329818096 456945941 /nfs/dbraw/zinc/94/59/41/456945941.db2.gz FQNYDWUXRLGUGW-CQSZACIVSA-N 1 2 349.431 3.100 20 30 EGEDLO Cc1nc(NC(=O)[C@H]2C[N@@H+](C)CCO2)sc1Cc1cccc(F)c1 ZINC000329818096 456945943 /nfs/dbraw/zinc/94/59/43/456945943.db2.gz FQNYDWUXRLGUGW-CQSZACIVSA-N 1 2 349.431 3.100 20 30 EGEDLO CC(C)O[C@@H]1C[C@H](NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C1(C)C ZINC000329848364 456950422 /nfs/dbraw/zinc/95/04/22/456950422.db2.gz NFGCYMAAJHCARG-LUKYLMHMSA-N 1 2 348.491 3.272 20 30 EGEDLO CC(C)O[C@@H]1C[C@H]([NH+]=C([O-])N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C1(C)C ZINC000329848364 456950427 /nfs/dbraw/zinc/95/04/27/456950427.db2.gz NFGCYMAAJHCARG-LUKYLMHMSA-N 1 2 348.491 3.272 20 30 EGEDLO [O-]C(=[NH+][C@@H]1CC[C@H](c2ccc(F)cc2)C1)N1CCn2cc[nH+]c2C1 ZINC000329932014 456963009 /nfs/dbraw/zinc/96/30/09/456963009.db2.gz BLKXGGXGLUENNH-GOEBONIOSA-N 1 2 328.391 3.088 20 30 EGEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC12CCCCC2 ZINC000330267203 457017210 /nfs/dbraw/zinc/01/72/10/457017210.db2.gz IAFXKDMKJPMCKP-HZPDHXFCSA-N 1 2 330.476 3.404 20 30 EGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Nc2scnc2C2CC2)CCO1 ZINC000330322121 457027102 /nfs/dbraw/zinc/02/71/02/457027102.db2.gz GPUOPVKGEHFYFP-YPMHNXCESA-N 1 2 347.444 3.000 20 30 EGEDLO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nnc(C(C)C)[nH]3)C2)nc1 ZINC000330317916 457027142 /nfs/dbraw/zinc/02/71/42/457027142.db2.gz QPNYBJOBLCXFFC-CQSZACIVSA-N 1 2 342.447 3.132 20 30 EGEDLO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nnc(C(C)C)[nH]3)C2)nc1 ZINC000330317916 457027147 /nfs/dbraw/zinc/02/71/47/457027147.db2.gz QPNYBJOBLCXFFC-CQSZACIVSA-N 1 2 342.447 3.132 20 30 EGEDLO CC[N@H+](CC(=O)N(CCC#N)CC1CC1)Cc1ccccc1Cl ZINC000339276787 457035684 /nfs/dbraw/zinc/03/56/84/457035684.db2.gz XNMUMCUOVNOZOI-UHFFFAOYSA-N 1 2 333.863 3.314 20 30 EGEDLO CC[N@@H+](CC(=O)N(CCC#N)CC1CC1)Cc1ccccc1Cl ZINC000339276787 457035689 /nfs/dbraw/zinc/03/56/89/457035689.db2.gz XNMUMCUOVNOZOI-UHFFFAOYSA-N 1 2 333.863 3.314 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000341994716 457048605 /nfs/dbraw/zinc/04/86/05/457048605.db2.gz RKJBNAHKJDXMNC-UHFFFAOYSA-N 1 2 347.415 3.134 20 30 EGEDLO CCOc1ccc2c(c1)CC[N@@H+](Cc1cnc3ccc(C#N)cn13)C2 ZINC000354126768 457080552 /nfs/dbraw/zinc/08/05/52/457080552.db2.gz LOUDYQLHSDUPAM-UHFFFAOYSA-N 1 2 332.407 3.163 20 30 EGEDLO CCOc1ccc2c(c1)CC[N@H+](Cc1cnc3ccc(C#N)cn13)C2 ZINC000354126768 457080559 /nfs/dbraw/zinc/08/05/59/457080559.db2.gz LOUDYQLHSDUPAM-UHFFFAOYSA-N 1 2 332.407 3.163 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3coc4ccccc34)CC2)cc1 ZINC000354139561 457091220 /nfs/dbraw/zinc/09/12/20/457091220.db2.gz UOORMBPMQHJRHE-UHFFFAOYSA-N 1 2 345.402 3.262 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000330991087 457116656 /nfs/dbraw/zinc/11/66/56/457116656.db2.gz YGHXMWYSEJPDLE-LPMFXHHGSA-N 1 2 349.425 3.197 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000330991087 457116659 /nfs/dbraw/zinc/11/66/59/457116659.db2.gz YGHXMWYSEJPDLE-LPMFXHHGSA-N 1 2 349.425 3.197 20 30 EGEDLO C[C@@H]1CCC[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000356769641 457159453 /nfs/dbraw/zinc/15/94/53/457159453.db2.gz KJGYOUZQVSPSNS-APWZRJJASA-N 1 2 325.456 3.029 20 30 EGEDLO CC[NH+]=C([O-])Nc1cccc(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1C ZINC000331331065 457167890 /nfs/dbraw/zinc/16/78/90/457167890.db2.gz HTOZMVVABITEJV-BETUJISGSA-N 1 2 332.448 3.152 20 30 EGEDLO CC[NH+]=C([O-])Nc1cccc(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c1C ZINC000331331065 457167895 /nfs/dbraw/zinc/16/78/95/457167895.db2.gz HTOZMVVABITEJV-BETUJISGSA-N 1 2 332.448 3.152 20 30 EGEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(C[C@H](CC#N)c3ccccc3)n2)C1 ZINC000346802345 457177460 /nfs/dbraw/zinc/17/74/60/457177460.db2.gz ZIEUAOXQWAQBFZ-IRXDYDNUSA-N 1 2 340.427 3.091 20 30 EGEDLO CC(C)[N@H+]1CCO[C@H](c2noc(C[C@H](CC#N)c3ccccc3)n2)C1 ZINC000346802345 457177464 /nfs/dbraw/zinc/17/74/64/457177464.db2.gz ZIEUAOXQWAQBFZ-IRXDYDNUSA-N 1 2 340.427 3.091 20 30 EGEDLO C[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)c1cccc(C#N)c1 ZINC000360033865 457215276 /nfs/dbraw/zinc/21/52/76/457215276.db2.gz VIQDXJSFADAVBJ-HNNXBMFYSA-N 1 2 330.391 3.164 20 30 EGEDLO CCOC(=O)C(C)(C)[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000354755172 457318167 /nfs/dbraw/zinc/31/81/67/457318167.db2.gz KVMAXIWJMYOIFG-UHFFFAOYSA-N 1 2 328.334 3.351 20 30 EGEDLO CCOC(=O)C(C)(C)[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000354755172 457318170 /nfs/dbraw/zinc/31/81/70/457318170.db2.gz KVMAXIWJMYOIFG-UHFFFAOYSA-N 1 2 328.334 3.351 20 30 EGEDLO C=C(C)[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC000360618327 457321955 /nfs/dbraw/zinc/32/19/55/457321955.db2.gz IJCSSWSDNBPKGR-MSOLQXFVSA-N 1 2 341.361 3.270 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000352371789 457358828 /nfs/dbraw/zinc/35/88/28/457358828.db2.gz LTHZEJPBMAOHRA-UHFFFAOYSA-N 1 2 328.368 3.497 20 30 EGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000352371789 457358834 /nfs/dbraw/zinc/35/88/34/457358834.db2.gz LTHZEJPBMAOHRA-UHFFFAOYSA-N 1 2 328.368 3.497 20 30 EGEDLO N#CCSCC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000355393076 457368881 /nfs/dbraw/zinc/36/88/81/457368881.db2.gz XQYBTNVCTAYYKN-UHFFFAOYSA-N 1 2 326.425 3.082 20 30 EGEDLO N#CC1(F)CC[NH+](Cc2cccc(C(=O)NCc3ccco3)c2)CC1 ZINC000352466194 457388566 /nfs/dbraw/zinc/38/85/66/457388566.db2.gz BHQILIJLLXDZIO-UHFFFAOYSA-N 1 2 341.386 3.037 20 30 EGEDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(CC#N)cc3)CC2)s1 ZINC000342692397 457459252 /nfs/dbraw/zinc/45/92/52/457459252.db2.gz CYEFNOMVDVFLRG-UHFFFAOYSA-N 1 2 339.464 3.081 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000397574061 457488743 /nfs/dbraw/zinc/48/87/43/457488743.db2.gz FPWNCWVPFUTAJA-NSHDSACASA-N 1 2 338.205 3.483 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000397574061 457488746 /nfs/dbraw/zinc/48/87/46/457488746.db2.gz FPWNCWVPFUTAJA-NSHDSACASA-N 1 2 338.205 3.483 20 30 EGEDLO C[C@H](c1c(F)cccc1F)[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000357625472 457629689 /nfs/dbraw/zinc/62/96/89/457629689.db2.gz SYPAVJMQZBQTNP-UKRRQHHQSA-N 1 2 346.377 3.269 20 30 EGEDLO C[C@H](c1c(F)cccc1F)[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000357625472 457629695 /nfs/dbraw/zinc/62/96/95/457629695.db2.gz SYPAVJMQZBQTNP-UKRRQHHQSA-N 1 2 346.377 3.269 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(COC)[nH+]c2ccc(F)cc12 ZINC000357677799 457651651 /nfs/dbraw/zinc/65/16/51/457651651.db2.gz AOWQNSWXEGIDDL-YJYMSZOUSA-N 1 2 330.403 3.335 20 30 EGEDLO OC[C@H]1C[N@H+](Cc2cc(F)c(C(F)(F)F)cc2F)CCC1(F)F ZINC000361405996 457720337 /nfs/dbraw/zinc/72/03/37/457720337.db2.gz ZHIVGUQIOGJGSZ-SECBINFHSA-N 1 2 345.258 3.433 20 30 EGEDLO OC[C@H]1C[N@@H+](Cc2cc(F)c(C(F)(F)F)cc2F)CCC1(F)F ZINC000361405996 457720338 /nfs/dbraw/zinc/72/03/38/457720338.db2.gz ZHIVGUQIOGJGSZ-SECBINFHSA-N 1 2 345.258 3.433 20 30 EGEDLO CCOc1ccc(N(CCC#N)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)cc1 ZINC000366191430 457798593 /nfs/dbraw/zinc/79/85/93/457798593.db2.gz UOHRXFMWEQMSLR-MRXNPFEDSA-N 1 2 338.411 3.175 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+](C)CC(C)(C)C#N ZINC000433298110 457802073 /nfs/dbraw/zinc/80/20/73/457802073.db2.gz YITFKUQLYGLTCU-NSHDSACASA-N 1 2 343.349 3.394 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+](C)CC(C)(C)C#N ZINC000433298110 457802076 /nfs/dbraw/zinc/80/20/76/457802076.db2.gz YITFKUQLYGLTCU-NSHDSACASA-N 1 2 343.349 3.394 20 30 EGEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000411134112 457810545 /nfs/dbraw/zinc/81/05/45/457810545.db2.gz MTSQFEFNPXJLAC-GFCCVEGCSA-N 1 2 340.254 3.443 20 30 EGEDLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)cc1OCCCC#N ZINC000375352907 457892746 /nfs/dbraw/zinc/89/27/46/457892746.db2.gz NCEABQZIMFMOQJ-MRXNPFEDSA-N 1 2 340.427 3.438 20 30 EGEDLO COc1ccc(C[N@H+]2CCC[C@@H]2c2ncc[nH]2)cc1OCCCC#N ZINC000375352907 457892757 /nfs/dbraw/zinc/89/27/57/457892757.db2.gz NCEABQZIMFMOQJ-MRXNPFEDSA-N 1 2 340.427 3.438 20 30 EGEDLO N#CCc1cccc(C(=O)N2CC[NH2+][C@H](c3ccccc3Cl)C2)c1 ZINC000366909945 457908988 /nfs/dbraw/zinc/90/89/88/457908988.db2.gz RWFXZLYLZXHPPP-SFHVURJKSA-N 1 2 339.826 3.193 20 30 EGEDLO C=CCC1(CNC(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)CCCC1 ZINC000411584030 457922831 /nfs/dbraw/zinc/92/28/31/457922831.db2.gz PMIWQBMRGCRMOQ-UHFFFAOYSA-N 1 2 329.444 3.198 20 30 EGEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000371483972 457956117 /nfs/dbraw/zinc/95/61/17/457956117.db2.gz YIRCDUYWKUFXQZ-LBPRGKRZSA-N 1 2 335.860 3.375 20 30 EGEDLO COC(=O)[C@@H](C)[N@H+](Cc1ccc(C#N)cc1OC(F)F)C1CCC1 ZINC000361965276 457981557 /nfs/dbraw/zinc/98/15/57/457981557.db2.gz FRPQYYWZAOGQMA-LLVKDONJSA-N 1 2 338.354 3.076 20 30 EGEDLO COC(=O)[C@@H](C)[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C1CCC1 ZINC000361965276 457981564 /nfs/dbraw/zinc/98/15/64/457981564.db2.gz FRPQYYWZAOGQMA-LLVKDONJSA-N 1 2 338.354 3.076 20 30 EGEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Br)cc1Cl ZINC000361995139 457997184 /nfs/dbraw/zinc/99/71/84/457997184.db2.gz CPBOVIHESVLPTM-SNVBAGLBSA-N 1 2 345.668 3.225 20 30 EGEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Br)cc1Cl ZINC000361995139 457997191 /nfs/dbraw/zinc/99/71/91/457997191.db2.gz CPBOVIHESVLPTM-SNVBAGLBSA-N 1 2 345.668 3.225 20 30 EGEDLO COc1cccc([C@H](C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)c1 ZINC000362005811 458002055 /nfs/dbraw/zinc/00/20/55/458002055.db2.gz WQHJFYUQGPRXLI-ZDUSSCGKSA-N 1 2 334.379 3.468 20 30 EGEDLO CCc1c[nH+]ccc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000428726093 458199516 /nfs/dbraw/zinc/19/95/16/458199516.db2.gz QHSSARQVQYDGMJ-UHFFFAOYSA-N 1 2 345.406 3.095 20 30 EGEDLO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000435907310 458221671 /nfs/dbraw/zinc/22/16/71/458221671.db2.gz KAEOWIJFLJVXKY-HOTGVXAUSA-N 1 2 325.330 3.190 20 30 EGEDLO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000435907310 458221675 /nfs/dbraw/zinc/22/16/75/458221675.db2.gz KAEOWIJFLJVXKY-HOTGVXAUSA-N 1 2 325.330 3.190 20 30 EGEDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@H+]1Cc1ccc(C#N)cc1F ZINC000429395861 458328562 /nfs/dbraw/zinc/32/85/62/458328562.db2.gz DHJDPMXWRKTUKE-OKILXGFUSA-N 1 2 331.435 3.165 20 30 EGEDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@@H+]1Cc1ccc(C#N)cc1F ZINC000429395861 458328570 /nfs/dbraw/zinc/32/85/70/458328570.db2.gz DHJDPMXWRKTUKE-OKILXGFUSA-N 1 2 331.435 3.165 20 30 EGEDLO N#CC1(C[NH2+]Cc2ccc(F)cc2I)CCC1 ZINC000418138999 458371642 /nfs/dbraw/zinc/37/16/42/458371642.db2.gz GZXXJKVQPUMXBZ-UHFFFAOYSA-N 1 2 344.171 3.214 20 30 EGEDLO N#C[C@@H]1N(Cc2cc(-n3cc[nH+]c3)cs2)CCC[C@@]12CCCCO2 ZINC000448270781 458399343 /nfs/dbraw/zinc/39/93/43/458399343.db2.gz GTIDOYCCFOBBIZ-ROUUACIJSA-N 1 2 342.468 3.361 20 30 EGEDLO N#C[C@]1(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)CC12CCCC2 ZINC000448566147 458402172 /nfs/dbraw/zinc/40/21/72/458402172.db2.gz QGXHMQMQTJMWJC-AZYNXAEESA-N 1 2 349.478 3.318 20 30 EGEDLO C=CCC1(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CCCCC1 ZINC000448671857 458405128 /nfs/dbraw/zinc/40/51/28/458405128.db2.gz WQXRGYNYIDKNFJ-UHFFFAOYSA-N 1 2 343.471 3.061 20 30 EGEDLO C[C@H]1CN(c2ccc(NCc3ccc(C#N)c(F)c3)c[nH+]2)C[C@H](C)O1 ZINC000421340383 458411076 /nfs/dbraw/zinc/41/10/76/458411076.db2.gz ILGGEBRYMZCNSV-KBPBESRZSA-N 1 2 340.402 3.318 20 30 EGEDLO COc1cc(F)cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC000448988727 458418411 /nfs/dbraw/zinc/41/84/11/458418411.db2.gz BUJQNAJTVQZCEI-FQEVSTJZSA-N 1 2 339.414 3.217 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000449038823 458419342 /nfs/dbraw/zinc/41/93/42/458419342.db2.gz ADZAEYNNQJQLRY-UHFFFAOYSA-N 1 2 337.467 3.339 20 30 EGEDLO C=CCC[C@H](NCc1c[nH+]c(C)n1-c1ccccc1)C(=O)OCC ZINC000449658870 458428411 /nfs/dbraw/zinc/42/84/11/458428411.db2.gz UWPWFLLFCROBPL-SFHVURJKSA-N 1 2 327.428 3.168 20 30 EGEDLO C=C(C)COc1cc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)ccc1OC ZINC000459697647 458450231 /nfs/dbraw/zinc/45/02/31/458450231.db2.gz IHVJPLSZLWHMIR-UHFFFAOYSA-N 1 2 344.459 3.356 20 30 EGEDLO C[C@H](c1ncc(Br)cn1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000438998424 458638458 /nfs/dbraw/zinc/63/84/58/458638458.db2.gz SXOGRRCRIFUDJW-LLVKDONJSA-N 1 2 331.217 3.304 20 30 EGEDLO C[C@H](c1ncc(Br)cn1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000438998424 458638461 /nfs/dbraw/zinc/63/84/61/458638461.db2.gz SXOGRRCRIFUDJW-LLVKDONJSA-N 1 2 331.217 3.304 20 30 EGEDLO COC(=O)C1([N@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)CCCC1 ZINC000432019886 458662422 /nfs/dbraw/zinc/66/24/22/458662422.db2.gz NKGDILQVYKMLFX-UHFFFAOYSA-N 1 2 339.357 3.475 20 30 EGEDLO COC(=O)C1([N@@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)CCCC1 ZINC000432019886 458662425 /nfs/dbraw/zinc/66/24/25/458662425.db2.gz NKGDILQVYKMLFX-UHFFFAOYSA-N 1 2 339.357 3.475 20 30 EGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@H]1C(F)F ZINC000502787139 458668861 /nfs/dbraw/zinc/66/88/61/458668861.db2.gz ARLKPFNOKVQGAB-HOTGVXAUSA-N 1 2 325.399 3.274 20 30 EGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@H]1C(F)F ZINC000502787139 458668865 /nfs/dbraw/zinc/66/88/65/458668865.db2.gz ARLKPFNOKVQGAB-HOTGVXAUSA-N 1 2 325.399 3.274 20 30 EGEDLO Cc1[nH+]c2cc(NC(=O)C3(C#N)CCCCC3)ccc2n1[C@@H](C)CO ZINC000456699161 458755005 /nfs/dbraw/zinc/75/50/05/458755005.db2.gz DVEGKXVGSZVJJA-ZDUSSCGKSA-N 1 2 340.427 3.311 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000517282098 458827171 /nfs/dbraw/zinc/82/71/71/458827171.db2.gz AQNHUOXIQNLJLT-AEFFLSMTSA-N 1 2 337.423 3.416 20 30 EGEDLO CCc1[nH+]c2cc(CNC(=O)NCC3(C#N)CC3)ccc2n1C1CC1 ZINC000549195932 458878452 /nfs/dbraw/zinc/87/84/52/458878452.db2.gz GUIWKBNRVGMLBV-UHFFFAOYSA-N 1 2 337.427 3.037 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C1CC1)C1(C#N)CCC1 ZINC000551285372 458887746 /nfs/dbraw/zinc/88/77/46/458887746.db2.gz TWPCCQKIRINMFP-UHFFFAOYSA-N 1 2 344.365 3.060 20 30 EGEDLO C=CC[C@H](CC)NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000466366653 458896105 /nfs/dbraw/zinc/89/61/05/458896105.db2.gz KFJPALWTKOJPHT-ICEKFOEVSA-N 1 2 327.472 3.382 20 30 EGEDLO CC#CC[N@@H+](C)CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000555750947 458909260 /nfs/dbraw/zinc/90/92/60/458909260.db2.gz LGNMDBCOKZUCIZ-IBGZPJMESA-N 1 2 328.456 3.094 20 30 EGEDLO CC#CC[N@H+](C)CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000555750947 458909264 /nfs/dbraw/zinc/90/92/64/458909264.db2.gz LGNMDBCOKZUCIZ-IBGZPJMESA-N 1 2 328.456 3.094 20 30 EGEDLO C[NH+](C)Cc1csc(NC(=O)c2cccc(SCC#N)c2)n1 ZINC000457311832 458918821 /nfs/dbraw/zinc/91/88/21/458918821.db2.gz KLKMYIFWIUCVAV-UHFFFAOYSA-N 1 2 332.454 3.073 20 30 EGEDLO N#Cc1cc(F)c(N2CCC[C@@H](n3cc[nH+]c3)C2)cc1Br ZINC000594548919 459085571 /nfs/dbraw/zinc/08/55/71/459085571.db2.gz ZCLNPUXOKCYZFU-GFCCVEGCSA-N 1 2 349.207 3.498 20 30 EGEDLO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CC1(C#N)CC1 ZINC000594614796 459114819 /nfs/dbraw/zinc/11/48/19/459114819.db2.gz NJMOHAOMJIGYEV-UHFFFAOYSA-N 1 2 345.244 3.337 20 30 EGEDLO C=CC[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(Cl)cc2C)CC1 ZINC000557869195 459115394 /nfs/dbraw/zinc/11/53/94/459115394.db2.gz KKEHQDRPYFTKIC-OAHLLOKOSA-N 1 2 335.879 3.440 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C1 ZINC000594660889 459122589 /nfs/dbraw/zinc/12/25/89/459122589.db2.gz SGPXMNHXDLHJTA-KXBFYZLASA-N 1 2 347.418 3.097 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C1 ZINC000594660889 459122594 /nfs/dbraw/zinc/12/25/94/459122594.db2.gz SGPXMNHXDLHJTA-KXBFYZLASA-N 1 2 347.418 3.097 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000567807865 459170388 /nfs/dbraw/zinc/17/03/88/459170388.db2.gz NOLKNKSLFJFXJI-CQSZACIVSA-N 1 2 347.418 3.138 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000567807865 459170393 /nfs/dbraw/zinc/17/03/93/459170393.db2.gz NOLKNKSLFJFXJI-CQSZACIVSA-N 1 2 347.418 3.138 20 30 EGEDLO CS[C@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000590750105 459203803 /nfs/dbraw/zinc/20/38/03/459203803.db2.gz KVHWKYGFAYLQLP-LBPRGKRZSA-N 1 2 349.525 3.264 20 30 EGEDLO CS[C@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000590750105 459203809 /nfs/dbraw/zinc/20/38/09/459203809.db2.gz KVHWKYGFAYLQLP-LBPRGKRZSA-N 1 2 349.525 3.264 20 30 EGEDLO C[C@@H](NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C)c1cccc(C#N)c1 ZINC000590808479 459228689 /nfs/dbraw/zinc/22/86/89/459228689.db2.gz FTIMNXOOBVRRIT-CZUORRHYSA-N 1 2 337.427 3.145 20 30 EGEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)C1 ZINC000568198854 459246621 /nfs/dbraw/zinc/24/66/21/459246621.db2.gz KEZDPPYZDDYRMU-XUJVJEKNSA-N 1 2 342.365 3.045 20 30 EGEDLO C=CCN(Cc1ccccc1F)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000580524889 459260490 /nfs/dbraw/zinc/26/04/90/459260490.db2.gz ZMMOECAIKZUYGR-CJNGLKHVSA-N 1 2 328.391 3.426 20 30 EGEDLO N#Cc1ccccc1N1CC[NH+](Cc2nsc3ccccc32)CC1 ZINC000595301442 459272868 /nfs/dbraw/zinc/27/28/68/459272868.db2.gz LABSVCNWHBAWFH-UHFFFAOYSA-N 1 2 334.448 3.490 20 30 EGEDLO CC(C)(C)C(=O)N1CCC[C@@H](C[N@H+](CCC#N)Cc2ccccn2)C1 ZINC000595340242 459280349 /nfs/dbraw/zinc/28/03/49/459280349.db2.gz CPSKDGOPFRBQLB-KRWDZBQOSA-N 1 2 342.487 3.082 20 30 EGEDLO CC(C)(C)C(=O)N1CCC[C@@H](C[N@@H+](CCC#N)Cc2ccccn2)C1 ZINC000595340242 459280356 /nfs/dbraw/zinc/28/03/56/459280356.db2.gz CPSKDGOPFRBQLB-KRWDZBQOSA-N 1 2 342.487 3.082 20 30 EGEDLO C[C@H]1C[N@H+](Cc2ccc(F)cc2C#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000496674749 459281421 /nfs/dbraw/zinc/28/14/21/459281421.db2.gz WGMZFVHEBUFSIR-SUMWQHHRSA-N 1 2 347.434 3.432 20 30 EGEDLO C[C@H]1C[N@@H+](Cc2ccc(F)cc2C#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000496674749 459281425 /nfs/dbraw/zinc/28/14/25/459281425.db2.gz WGMZFVHEBUFSIR-SUMWQHHRSA-N 1 2 347.434 3.432 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cccc(C(=O)OC)c1C#N ZINC000535206282 459354336 /nfs/dbraw/zinc/35/43/36/459354336.db2.gz MOSPIAHRIHRGGD-UHFFFAOYSA-N 1 2 327.428 3.497 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cccc(C(=O)OC)c1C#N ZINC000535206282 459354340 /nfs/dbraw/zinc/35/43/40/459354340.db2.gz MOSPIAHRIHRGGD-UHFFFAOYSA-N 1 2 327.428 3.497 20 30 EGEDLO Cc1ccc2nc(NC(=O)C[N@@H+]3CCC[C@H](CC#N)C3)sc2c1 ZINC000595613269 459368338 /nfs/dbraw/zinc/36/83/38/459368338.db2.gz BTLMKSMXNYBXQK-CYBMUJFWSA-N 1 2 328.441 3.169 20 30 EGEDLO Cc1ccc2nc(NC(=O)C[N@H+]3CCC[C@H](CC#N)C3)sc2c1 ZINC000595613269 459368339 /nfs/dbraw/zinc/36/83/39/459368339.db2.gz BTLMKSMXNYBXQK-CYBMUJFWSA-N 1 2 328.441 3.169 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000595619637 459372131 /nfs/dbraw/zinc/37/21/31/459372131.db2.gz DUKNHWBLYYVCKK-CYBMUJFWSA-N 1 2 326.356 3.375 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000595619637 459372136 /nfs/dbraw/zinc/37/21/36/459372136.db2.gz DUKNHWBLYYVCKK-CYBMUJFWSA-N 1 2 326.356 3.375 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000595619583 459372319 /nfs/dbraw/zinc/37/23/19/459372319.db2.gz DQXXHMPMXNMCQS-BLLLJJGKSA-N 1 2 335.810 3.210 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000595619583 459372322 /nfs/dbraw/zinc/37/23/22/459372322.db2.gz DQXXHMPMXNMCQS-BLLLJJGKSA-N 1 2 335.810 3.210 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+]2CCOc3ccc(C)cc3C2)c1C#N ZINC000582562811 459385710 /nfs/dbraw/zinc/38/57/10/459385710.db2.gz LEUZVWVMWTUNQR-UHFFFAOYSA-N 1 2 336.391 3.048 20 30 EGEDLO COC(=O)c1cccc(C[N@H+]2CCOc3ccc(C)cc3C2)c1C#N ZINC000582562811 459385717 /nfs/dbraw/zinc/38/57/17/459385717.db2.gz LEUZVWVMWTUNQR-UHFFFAOYSA-N 1 2 336.391 3.048 20 30 EGEDLO C=CCN(CC1CCCCC1)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000483861394 459396594 /nfs/dbraw/zinc/39/65/94/459396594.db2.gz XRZWJFHITGAMJX-UHFFFAOYSA-N 1 2 330.476 3.426 20 30 EGEDLO N#CCc1ccc(NC(=O)NC[C@H]2CCCn3cc[nH+]c32)c(Cl)c1 ZINC000569561970 459471745 /nfs/dbraw/zinc/47/17/45/459471745.db2.gz JZAWPWSYDBKQTQ-CYBMUJFWSA-N 1 2 343.818 3.302 20 30 EGEDLO C[C@@H]1C[NH+](Cc2ccc(C(=O)[C@H](C#N)c3ccccn3)cc2)C[C@@H](C)O1 ZINC000561975160 459498882 /nfs/dbraw/zinc/49/88/82/459498882.db2.gz JSNZYXNYJDIKBQ-GPMSIDNRSA-N 1 2 349.434 3.181 20 30 EGEDLO N#CCC1CC[NH+](Cc2cn(-c3ccc(F)cc3Cl)nn2)CC1 ZINC000541921350 459511883 /nfs/dbraw/zinc/51/18/83/459511883.db2.gz FCLRSGIZJIHQBE-UHFFFAOYSA-N 1 2 333.798 3.185 20 30 EGEDLO C=CCn1cccc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000488820390 459552815 /nfs/dbraw/zinc/55/28/15/459552815.db2.gz PZUCLDAEUUPKTR-UHFFFAOYSA-N 1 2 338.455 3.380 20 30 EGEDLO C=CCn1cccc1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000488881413 459555333 /nfs/dbraw/zinc/55/53/33/459555333.db2.gz STMFZBPSHAWFBS-INIZCTEOSA-N 1 2 339.439 3.320 20 30 EGEDLO COCC[C@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1ccc(C)o1 ZINC000542579385 459572667 /nfs/dbraw/zinc/57/26/67/459572667.db2.gz XJMINNFGQRSGRE-KRWDZBQOSA-N 1 2 342.395 3.114 20 30 EGEDLO Cc1c[nH+]c(N2CCC[C@@H](CC#N)C2)nc1N1CCC[C@@H](CC#N)C1 ZINC000596330596 459598057 /nfs/dbraw/zinc/59/80/57/459598057.db2.gz UIQSTQVMSHZELX-IRXDYDNUSA-N 1 2 338.459 3.045 20 30 EGEDLO C#C[C@H]([NH2+]Cc1ccc2c(c1)NC(=O)CO2)c1ccc(Cl)cc1 ZINC000491126009 459599132 /nfs/dbraw/zinc/59/91/32/459599132.db2.gz JSWVNRKXZDHJKG-HNNXBMFYSA-N 1 2 326.783 3.135 20 30 EGEDLO C#C[C@@H](NC(=O)N[C@H](C)c1[nH+]ccn1CC)c1ccc(Cl)cc1F ZINC000491327376 459617107 /nfs/dbraw/zinc/61/71/07/459617107.db2.gz VAKHPKOULHISMP-IAQYHMDHSA-N 1 2 348.809 3.430 20 30 EGEDLO C#C[C@@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)C(C)(C)C ZINC000491420092 459625087 /nfs/dbraw/zinc/62/50/87/459625087.db2.gz WTBASOYLYBNGPM-QGZVFWFLSA-N 1 2 330.476 3.133 20 30 EGEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1 ZINC000491694123 459654878 /nfs/dbraw/zinc/65/48/78/459654878.db2.gz AGXCLOKQBIXVOZ-OAHLLOKOSA-N 1 2 341.480 3.395 20 30 EGEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1 ZINC000491694123 459654879 /nfs/dbraw/zinc/65/48/79/459654879.db2.gz AGXCLOKQBIXVOZ-OAHLLOKOSA-N 1 2 341.480 3.395 20 30 EGEDLO C=C(C)[C@H]1OCC[C@H]1CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000584329166 459710544 /nfs/dbraw/zinc/71/05/44/459710544.db2.gz IEULFXXZORYYLZ-WMLDXEAASA-N 1 2 335.411 3.209 20 30 EGEDLO CC[C@H]1C[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@@H](C)CO1 ZINC000593063406 459761571 /nfs/dbraw/zinc/76/15/71/459761571.db2.gz MWDCQMYGRQGYEG-HKUYNNGSSA-N 1 2 343.471 3.049 20 30 EGEDLO CC[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@@H](C)CO1 ZINC000593063406 459761575 /nfs/dbraw/zinc/76/15/75/459761575.db2.gz MWDCQMYGRQGYEG-HKUYNNGSSA-N 1 2 343.471 3.049 20 30 EGEDLO CC[C@@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1c(C)noc1C ZINC000544475581 459763730 /nfs/dbraw/zinc/76/37/30/459763730.db2.gz KKQQVXOMNQFBGU-MRXNPFEDSA-N 1 2 327.384 3.191 20 30 EGEDLO CCCCOc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c(Cl)c1 ZINC000565367688 459783887 /nfs/dbraw/zinc/78/38/87/459783887.db2.gz MJTMAUKWKQBSEZ-QGZVFWFLSA-N 1 2 337.851 3.093 20 30 EGEDLO N#C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1cccc(Cl)c1Cl ZINC000597181591 459865092 /nfs/dbraw/zinc/86/50/92/459865092.db2.gz BVXRAOPMNUTHSC-IINYFYTJSA-N 1 2 349.221 3.133 20 30 EGEDLO CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000597184727 459867219 /nfs/dbraw/zinc/86/72/19/459867219.db2.gz NRYOSZDZMPZNEM-MAUKXSAKSA-N 1 2 336.439 3.124 20 30 EGEDLO CC[C@H](C#N)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000593410351 459881794 /nfs/dbraw/zinc/88/17/94/459881794.db2.gz QSBUWHDEKFXEAJ-DOMZBBRYSA-N 1 2 337.826 3.282 20 30 EGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(OCC(F)(F)F)nn1 ZINC000593959976 460028279 /nfs/dbraw/zinc/02/82/79/460028279.db2.gz WYXUTRFRXNERRE-UHFFFAOYSA-N 1 2 330.354 3.179 20 30 EGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(OCC(F)(F)F)nn1 ZINC000593959976 460028286 /nfs/dbraw/zinc/02/82/86/460028286.db2.gz WYXUTRFRXNERRE-UHFFFAOYSA-N 1 2 330.354 3.179 20 30 EGEDLO N#Cc1ccc(Nc2cccc(C(=O)N3CC(n4cc[nH+]c4)C3)c2)cc1 ZINC000609994799 460046987 /nfs/dbraw/zinc/04/69/87/460046987.db2.gz XSYBHYAJOVWOFV-UHFFFAOYSA-N 1 2 343.390 3.195 20 30 EGEDLO C[C@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000610003628 460049135 /nfs/dbraw/zinc/04/91/35/460049135.db2.gz CRSPGDIMTAZTQG-AWEZNQCLSA-N 1 2 329.419 3.087 20 30 EGEDLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000610003628 460049144 /nfs/dbraw/zinc/04/91/44/460049144.db2.gz CRSPGDIMTAZTQG-AWEZNQCLSA-N 1 2 329.419 3.087 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000594008996 460053870 /nfs/dbraw/zinc/05/38/70/460053870.db2.gz VJWYCOKPOKGPFL-IEBWSBKVSA-N 1 2 331.435 3.455 20 30 EGEDLO N#CCCC1CCN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000576103159 460069866 /nfs/dbraw/zinc/06/98/66/460069866.db2.gz KZSWHKBVSOTRSO-UHFFFAOYSA-N 1 2 345.834 3.213 20 30 EGEDLO Cc1ccc2[nH+]c(CNc3c(C#N)cnc4c(F)ccc(F)c43)cn2c1 ZINC000610273654 460101391 /nfs/dbraw/zinc/10/13/91/460101391.db2.gz HCOSZLOGXQTCMD-UHFFFAOYSA-N 1 2 349.344 3.375 20 30 EGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(C#N)cc1C ZINC000614400771 460128949 /nfs/dbraw/zinc/12/89/49/460128949.db2.gz CFSCHILXBGVGMA-HXUWFJFHSA-N 1 2 336.435 3.473 20 30 EGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000614400771 460128956 /nfs/dbraw/zinc/12/89/56/460128956.db2.gz CFSCHILXBGVGMA-HXUWFJFHSA-N 1 2 336.435 3.473 20 30 EGEDLO Cc1ncc([C@@H](C)[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c(C)n1 ZINC000614461705 460148333 /nfs/dbraw/zinc/14/83/33/460148333.db2.gz HHQGGGKEVMYXIW-OXQOHEQNSA-N 1 2 335.455 3.037 20 30 EGEDLO CCN(C(C)=O)c1nc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)cs1 ZINC000618742664 460151512 /nfs/dbraw/zinc/15/15/12/460151512.db2.gz ORHDSFXEBWTZKH-KRWDZBQOSA-N 1 2 340.452 3.165 20 30 EGEDLO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)CC#N)ccc2c1 ZINC000602861150 460162921 /nfs/dbraw/zinc/16/29/21/460162921.db2.gz GBVRJMFDFMPUJG-LSDHHAIUSA-N 1 2 339.439 3.087 20 30 EGEDLO C[C@H](CC#N)[NH2+]CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000602867477 460165176 /nfs/dbraw/zinc/16/51/76/460165176.db2.gz CLCYIQMGFKGHBD-UZLBHIALSA-N 1 2 333.435 3.052 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618784853 460173217 /nfs/dbraw/zinc/17/32/17/460173217.db2.gz FJAPSLNLJPNPJZ-QGZVFWFLSA-N 1 2 330.391 3.020 20 30 EGEDLO CCC(O)(CC)C[N@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000599673883 460305143 /nfs/dbraw/zinc/30/51/43/460305143.db2.gz UYVDIABZVLKLQS-UHFFFAOYSA-N 1 2 326.444 3.035 20 30 EGEDLO CCC(O)(CC)C[N@@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000599673883 460305146 /nfs/dbraw/zinc/30/51/46/460305146.db2.gz UYVDIABZVLKLQS-UHFFFAOYSA-N 1 2 326.444 3.035 20 30 EGEDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000611554068 460396769 /nfs/dbraw/zinc/39/67/69/460396769.db2.gz CXOKXRNLVJCZIM-AAEUAGOBSA-N 1 2 325.334 3.160 20 30 EGEDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000611554068 460396776 /nfs/dbraw/zinc/39/67/76/460396776.db2.gz CXOKXRNLVJCZIM-AAEUAGOBSA-N 1 2 325.334 3.160 20 30 EGEDLO COC(=O)[C@H]1CCCCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000611575034 460407083 /nfs/dbraw/zinc/40/70/83/460407083.db2.gz HVNNUCGECRLNKD-MRXNPFEDSA-N 1 2 339.357 3.475 20 30 EGEDLO COC(=O)[C@H]1CCCCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000611575034 460407085 /nfs/dbraw/zinc/40/70/85/460407085.db2.gz HVNNUCGECRLNKD-MRXNPFEDSA-N 1 2 339.357 3.475 20 30 EGEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@H](c3ccccc3Cl)C2)s1 ZINC000619778247 460441175 /nfs/dbraw/zinc/44/11/75/460441175.db2.gz QKRWVZBLYCPPJB-AWEZNQCLSA-N 1 2 331.828 3.060 20 30 EGEDLO COc1cc(C#N)ccc1C[N@@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000616132735 460479231 /nfs/dbraw/zinc/47/92/31/460479231.db2.gz TVRJPSMSEDBGJY-HNNXBMFYSA-N 1 2 339.414 3.417 20 30 EGEDLO COc1cc(C#N)ccc1C[N@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000616132735 460479236 /nfs/dbraw/zinc/47/92/36/460479236.db2.gz TVRJPSMSEDBGJY-HNNXBMFYSA-N 1 2 339.414 3.417 20 30 EGEDLO C=CCOc1ccccc1C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000617481262 460876698 /nfs/dbraw/zinc/87/66/98/460876698.db2.gz MEZWGJSIHJUNFT-UHFFFAOYSA-N 1 2 337.423 3.177 20 30 EGEDLO C=CCOc1c(Cl)cc(CN(C)Cc2[nH+]ccn2C)cc1OC ZINC000628234451 461056375 /nfs/dbraw/zinc/05/63/75/461056375.db2.gz ASAUBHAKBRDFCX-UHFFFAOYSA-N 1 2 335.835 3.279 20 30 EGEDLO C=CCn1cc(C[NH2+]Cc2c(Cl)cccc2OC(F)F)nn1 ZINC000643794373 461805423 /nfs/dbraw/zinc/80/54/23/461805423.db2.gz GBCMQYYNUVNTHL-UHFFFAOYSA-N 1 2 328.750 3.009 20 30 EGEDLO C=CCCn1cc(C[NH2+]Cc2cccc(NC(=O)[C@H](C)CC)c2)nn1 ZINC000657322832 462044919 /nfs/dbraw/zinc/04/49/19/462044919.db2.gz GGQWYQIUGTZYAO-OAHLLOKOSA-N 1 2 341.459 3.129 20 30 EGEDLO COCC#CC[N@@H+]1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000644761900 462065173 /nfs/dbraw/zinc/06/51/73/462065173.db2.gz RHLIJAZYLGHXAS-XJKSGUPXSA-N 1 2 327.346 3.117 20 30 EGEDLO COCC#CC[N@H+]1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000644761900 462065176 /nfs/dbraw/zinc/06/51/76/462065176.db2.gz RHLIJAZYLGHXAS-XJKSGUPXSA-N 1 2 327.346 3.117 20 30 EGEDLO C=CC[N@H+](Cc1cn(-c2ccc(F)c(Cl)c2)nn1)[C@@H](C)COC ZINC000661240781 462165845 /nfs/dbraw/zinc/16/58/45/462165845.db2.gz RBNWKURPKIQGBN-LBPRGKRZSA-N 1 2 338.814 3.083 20 30 EGEDLO C=CC[N@@H+](Cc1cn(-c2ccc(F)c(Cl)c2)nn1)[C@@H](C)COC ZINC000661240781 462165849 /nfs/dbraw/zinc/16/58/49/462165849.db2.gz RBNWKURPKIQGBN-LBPRGKRZSA-N 1 2 338.814 3.083 20 30 EGEDLO C=CC[N@H+](CC(=O)c1cc(C)n(-c2nccs2)c1C)[C@H](C)COC ZINC000661242499 462167052 /nfs/dbraw/zinc/16/70/52/462167052.db2.gz BIKRBDYYAHILRX-CQSZACIVSA-N 1 2 347.484 3.256 20 30 EGEDLO C=CC[N@@H+](CC(=O)c1cc(C)n(-c2nccs2)c1C)[C@H](C)COC ZINC000661242499 462167056 /nfs/dbraw/zinc/16/70/56/462167056.db2.gz BIKRBDYYAHILRX-CQSZACIVSA-N 1 2 347.484 3.256 20 30 EGEDLO C=C[C@H](CO)[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2C)n1 ZINC000662165273 462533641 /nfs/dbraw/zinc/53/36/41/462533641.db2.gz COKVNSMZHAGRGG-OAHLLOKOSA-N 1 2 345.468 3.081 20 30 EGEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000171590044 533769648 /nfs/dbraw/zinc/76/96/48/533769648.db2.gz SRVQCRJWVCGBKZ-INIZCTEOSA-N 1 2 349.434 3.086 20 30 EGEDLO C[C@@H]1CCN(C(=O)Nc2ccc(F)cc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000131461277 533986461 /nfs/dbraw/zinc/98/64/61/533986461.db2.gz KPYUZHMWGSLNGH-MLGOLLRUSA-N 1 2 327.363 3.009 20 30 EGEDLO COc1ccccc1C[N@H+](CCO)Cc1ccc(Cl)cc1C#N ZINC000186943605 534067722 /nfs/dbraw/zinc/06/77/22/534067722.db2.gz BQHYSRVQZVPKBO-UHFFFAOYSA-N 1 2 330.815 3.215 20 30 EGEDLO COc1ccccc1C[N@@H+](CCO)Cc1ccc(Cl)cc1C#N ZINC000186943605 534067727 /nfs/dbraw/zinc/06/77/27/534067727.db2.gz BQHYSRVQZVPKBO-UHFFFAOYSA-N 1 2 330.815 3.215 20 30 EGEDLO Cc1nc(CN2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)oc1C ZINC000159878626 534358848 /nfs/dbraw/zinc/35/88/48/534358848.db2.gz LEKPEGOASAIWGF-UHFFFAOYSA-N 1 2 343.858 3.114 20 30 EGEDLO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000186924280 527932482 /nfs/dbraw/zinc/93/24/82/527932482.db2.gz FNXTUZKRVXIATM-AWEZNQCLSA-N 1 2 333.863 3.340 20 30 EGEDLO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000186924280 527932488 /nfs/dbraw/zinc/93/24/88/527932488.db2.gz FNXTUZKRVXIATM-AWEZNQCLSA-N 1 2 333.863 3.340 20 30 EGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C/c1cccc(C#N)c1 ZINC000192253343 528857046 /nfs/dbraw/zinc/85/70/46/528857046.db2.gz AOIGWHPXZNVFAP-MDZDMXLPSA-N 1 2 336.439 3.269 20 30 EGEDLO C[C@@H]1CCN(C([O-])=[NH+]CC2(C(F)(F)F)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000329317522 547494893 /nfs/dbraw/zinc/49/48/93/547494893.db2.gz HWXYWHHVQDJPLS-NEPJUHHUSA-N 1 2 330.354 3.023 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)N1CCC[C@@H](C2CC2)C1 ZINC000329329439 547495119 /nfs/dbraw/zinc/49/51/19/547495119.db2.gz KZMMIZLRLXMJFI-MRXNPFEDSA-N 1 2 326.444 3.381 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(COCc2ccco2)c1 ZINC000730279034 574965353 /nfs/dbraw/zinc/96/53/53/574965353.db2.gz SAEPVNOCTUMMFG-IBGZPJMESA-N 1 2 338.407 3.033 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(COCc2ccco2)c1 ZINC000730279034 574965355 /nfs/dbraw/zinc/96/53/55/574965355.db2.gz SAEPVNOCTUMMFG-IBGZPJMESA-N 1 2 338.407 3.033 20 30 EGEDLO COc1ccc(O)c(/C=[NH+]\CCc2c(OC)cc(OC)cc2OC)c1 ZINC000730952574 575037172 /nfs/dbraw/zinc/03/71/72/575037172.db2.gz ZIWASSXUGIQNEG-NDENLUEZSA-N 1 2 345.395 3.088 20 30 EGEDLO Cc1cccn2cc(CC(=O)OCc3cn4ccccc4c3C#N)[nH+]c12 ZINC000731913989 575219358 /nfs/dbraw/zinc/21/93/58/575219358.db2.gz PYTYGMXELKWMFY-UHFFFAOYSA-N 1 2 344.374 3.053 20 30 EGEDLO N#CCOc1ccc(CC(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)cc1 ZINC000732052027 575234478 /nfs/dbraw/zinc/23/44/78/575234478.db2.gz GQAPPAGXCVZSGM-UHFFFAOYSA-N 1 2 332.363 3.160 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000732209272 575245127 /nfs/dbraw/zinc/24/51/27/575245127.db2.gz JMTDJIPKMTXAOY-FUHIMQAGSA-N 1 2 330.472 3.262 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000732209272 575245128 /nfs/dbraw/zinc/24/51/28/575245128.db2.gz JMTDJIPKMTXAOY-FUHIMQAGSA-N 1 2 330.472 3.262 20 30 EGEDLO C=CC[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccncc1 ZINC000734235978 575459472 /nfs/dbraw/zinc/45/94/72/575459472.db2.gz QDWZPVQOTAWNTJ-IBGZPJMESA-N 1 2 332.407 3.374 20 30 EGEDLO Fc1cc(F)c(N[NH+]=Cc2ccccc2N2CCOCC2)cc1F ZINC000734301555 575463697 /nfs/dbraw/zinc/46/36/97/575463697.db2.gz DPWXVSXYIFVCPA-UHFFFAOYSA-N 1 2 335.329 3.387 20 30 EGEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)C[C@](C)(C(C)C)C1=O ZINC000735070450 575596051 /nfs/dbraw/zinc/59/60/51/575596051.db2.gz OEMMLWLTVFAGKT-HXUWFJFHSA-N 1 2 341.455 3.149 20 30 EGEDLO CCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)C[C@](C)(C(C)C)C1=O ZINC000735070450 575596054 /nfs/dbraw/zinc/59/60/54/575596054.db2.gz OEMMLWLTVFAGKT-HXUWFJFHSA-N 1 2 341.455 3.149 20 30 EGEDLO Cc1c(C(=O)/C=C/c2c[nH+]c3ccccn23)nnn1-c1ccc(C)cc1 ZINC000740764908 576624152 /nfs/dbraw/zinc/62/41/52/576624152.db2.gz KFPIDFKDBHCEGE-ZHACJKMWSA-N 1 2 343.390 3.428 20 30 EGEDLO Cc1c(C(=O)/C=C/c2c[nH+]c3ccccn23)nnn1-c1ccccc1 ZINC000740765110 576624158 /nfs/dbraw/zinc/62/41/58/576624158.db2.gz PXFCCVMRYBSMLS-ZHACJKMWSA-N 1 2 329.363 3.120 20 30 EGEDLO N#Cc1nnc2ccccc2c1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000740867821 576631626 /nfs/dbraw/zinc/63/16/26/576631626.db2.gz BCSOZBCEWPLIFB-UHFFFAOYSA-N 1 2 326.363 3.299 20 30 EGEDLO CC(=[NH+]Nc1cccc(C#N)c1)c1c(F)cccc1N1CCOCC1 ZINC000741163852 576662767 /nfs/dbraw/zinc/66/27/67/576662767.db2.gz PHCUVQLKAWPANU-UHFFFAOYSA-N 1 2 338.386 3.370 20 30 EGEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc2ccco2)cc1 ZINC000042334494 1291441787 /nfs/dbraw/zinc/44/17/87/1291441787.db2.gz IFGHCZVBYAHICS-MRXNPFEDSA-N 1 2 325.412 3.355 20 30 EGEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc2ccco2)cc1 ZINC000042334494 1291441793 /nfs/dbraw/zinc/44/17/93/1291441793.db2.gz IFGHCZVBYAHICS-MRXNPFEDSA-N 1 2 325.412 3.355 20 30 EGEDLO COc1ccc(-c2nc(CO[NH+]=C(N)c3ccc(F)cc3)co2)cc1 ZINC000071836277 1292270510 /nfs/dbraw/zinc/27/05/10/1292270510.db2.gz HZFULXFWAFCEOC-UHFFFAOYSA-N 1 2 341.342 3.326 20 30 EGEDLO C#CCOc1cc(F)ccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000152564646 1293974644 /nfs/dbraw/zinc/97/46/44/1293974644.db2.gz SNFGNCIKEVHJMD-UHFFFAOYSA-N 1 2 349.365 3.335 20 30 EGEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc(N2CCC(O)CC2)cc1 ZINC000179026944 1294768998 /nfs/dbraw/zinc/76/89/98/1294768998.db2.gz OQYITRGQCCMMGM-CMDGGOBGSA-N 1 2 347.418 3.192 20 30 EGEDLO Cc1cccn2c(/C=C\C(=O)c3cn(-c4ccccc4)nn3)c[nH+]c12 ZINC000254987733 1296485657 /nfs/dbraw/zinc/48/56/57/1296485657.db2.gz NLQQLHZKXGRIAC-KTKRTIGZSA-N 1 2 329.363 3.120 20 30 EGEDLO C=CCC1(CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)CCCC1 ZINC000455479083 1297900925 /nfs/dbraw/zinc/90/09/25/1297900925.db2.gz NIKDEINLJIGHER-INIZCTEOSA-N 1 2 330.476 3.446 20 30 EGEDLO N#Cc1ccc(C[NH2+]Cc2ncc(Br)s2)cc1F ZINC000713649510 1298270565 /nfs/dbraw/zinc/27/05/65/1298270565.db2.gz LSFYZWZWWRAAIS-UHFFFAOYSA-N 1 2 326.194 3.206 20 30 EGEDLO CC(C)(C)OC(=O)NC(C)(C)c1cc(C[NH+]2CCC(C#N)CC2)on1 ZINC000876654113 1298900441 /nfs/dbraw/zinc/90/04/41/1298900441.db2.gz ZIZFCMFJXXHDAY-UHFFFAOYSA-N 1 2 348.447 3.170 20 30 EGEDLO FC(F)(F)c1ccc(C#CC[N@@H+]2CCCC[C@H]2C2OCCO2)cc1 ZINC000748049808 1298917717 /nfs/dbraw/zinc/91/77/17/1298917717.db2.gz SDHRMBJKUBSTOC-INIZCTEOSA-N 1 2 339.357 3.284 20 30 EGEDLO FC(F)(F)c1ccc(C#CC[N@H+]2CCCC[C@H]2C2OCCO2)cc1 ZINC000748049808 1298917728 /nfs/dbraw/zinc/91/77/28/1298917728.db2.gz SDHRMBJKUBSTOC-INIZCTEOSA-N 1 2 339.357 3.284 20 30 EGEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCOCC12CCCC2)c1ccccc1 ZINC000878322437 1299915924 /nfs/dbraw/zinc/91/59/24/1299915924.db2.gz HVJRMNPHNIWBLB-FQEVSTJZSA-N 1 2 326.440 3.072 20 30 EGEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCOCC12CCCC2)c1ccccc1 ZINC000878322437 1299915936 /nfs/dbraw/zinc/91/59/36/1299915936.db2.gz HVJRMNPHNIWBLB-FQEVSTJZSA-N 1 2 326.440 3.072 20 30 EGEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCCC[C@H]1c1cc[nH]n1)c1ccccc1 ZINC000878601245 1300099762 /nfs/dbraw/zinc/09/97/62/1300099762.db2.gz JGNDWOMSRYQPPD-VQTJNVASSA-N 1 2 336.439 3.377 20 30 EGEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCCC[C@H]1c1cc[nH]n1)c1ccccc1 ZINC000878601245 1300099775 /nfs/dbraw/zinc/09/97/75/1300099775.db2.gz JGNDWOMSRYQPPD-VQTJNVASSA-N 1 2 336.439 3.377 20 30 EGEDLO Brc1ccc(C=NNc2cc[nH+]c3ccccc23)cn1 ZINC000756888307 1300583826 /nfs/dbraw/zinc/58/38/26/1300583826.db2.gz BAQIZHZHWQMZPV-UHFFFAOYSA-N 1 2 327.185 3.260 20 30 EGEDLO Brc1ccc(N[NH+]=Cc2ccc(N3CCCC3)nc2)cn1 ZINC000758368931 1300862202 /nfs/dbraw/zinc/86/22/02/1300862202.db2.gz CDPUWNZZOQFQLN-UHFFFAOYSA-N 1 2 346.232 3.285 20 30 EGEDLO Cc1ccc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)c(C#N)n1 ZINC000882161450 1301854641 /nfs/dbraw/zinc/85/46/41/1301854641.db2.gz CXJXMEDFVFIXLX-UHFFFAOYSA-N 1 2 343.434 3.264 20 30 EGEDLO C#CC[N@@H+](CC(=O)Nc1ccc(N2CCCCCC2)cc1)C1CC1 ZINC000763959279 1301989023 /nfs/dbraw/zinc/98/90/23/1301989023.db2.gz CCPQDLCEBNFOPE-UHFFFAOYSA-N 1 2 325.456 3.103 20 30 EGEDLO C#CC[N@H+](CC(=O)Nc1ccc(N2CCCCCC2)cc1)C1CC1 ZINC000763959279 1301989030 /nfs/dbraw/zinc/98/90/30/1301989030.db2.gz CCPQDLCEBNFOPE-UHFFFAOYSA-N 1 2 325.456 3.103 20 30 EGEDLO CCC[N@@H+](Cc1ccccc1F)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766612079 1302488094 /nfs/dbraw/zinc/48/80/94/1302488094.db2.gz LNWMUYXYWOTNDA-UHFFFAOYSA-N 1 2 339.414 3.217 20 30 EGEDLO CCC[N@H+](Cc1ccccc1F)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766612079 1302488098 /nfs/dbraw/zinc/48/80/98/1302488098.db2.gz LNWMUYXYWOTNDA-UHFFFAOYSA-N 1 2 339.414 3.217 20 30 EGEDLO N#Cc1ccc(C2=CC[N@H+](CN3CC4(CCCC4)CC3=O)CC2)cc1 ZINC000767987259 1302798358 /nfs/dbraw/zinc/79/83/58/1302798358.db2.gz XUSSPNANUIUJPS-UHFFFAOYSA-N 1 2 335.451 3.398 20 30 EGEDLO N#Cc1ccc(C2=CC[N@@H+](CN3CC4(CCCC4)CC3=O)CC2)cc1 ZINC000767987259 1302798365 /nfs/dbraw/zinc/79/83/65/1302798365.db2.gz XUSSPNANUIUJPS-UHFFFAOYSA-N 1 2 335.451 3.398 20 30 EGEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000769961405 1303199043 /nfs/dbraw/zinc/19/90/43/1303199043.db2.gz QMGFZKBBUUXRMT-ZDUSSCGKSA-N 1 2 336.391 3.487 20 30 EGEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000769961405 1303199044 /nfs/dbraw/zinc/19/90/44/1303199044.db2.gz QMGFZKBBUUXRMT-ZDUSSCGKSA-N 1 2 336.391 3.487 20 30 EGEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000769978062 1303201740 /nfs/dbraw/zinc/20/17/40/1303201740.db2.gz OLDZSWXRJSRSSC-CQSZACIVSA-N 1 2 328.412 3.010 20 30 EGEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000769978062 1303201748 /nfs/dbraw/zinc/20/17/48/1303201748.db2.gz OLDZSWXRJSRSSC-CQSZACIVSA-N 1 2 328.412 3.010 20 30 EGEDLO Cc1ccccc1[C@@H](CO)[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000886433190 1303466207 /nfs/dbraw/zinc/46/62/07/1303466207.db2.gz BVPBOHKEVDFVSP-GOSISDBHSA-N 1 2 348.406 3.082 20 30 EGEDLO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000886433190 1303466212 /nfs/dbraw/zinc/46/62/12/1303466212.db2.gz BVPBOHKEVDFVSP-GOSISDBHSA-N 1 2 348.406 3.082 20 30 EGEDLO C=CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2nc3ccccc3s2)CC1 ZINC000886774652 1303594622 /nfs/dbraw/zinc/59/46/22/1303594622.db2.gz SGSOQECQHRXZDL-CYBMUJFWSA-N 1 2 345.468 3.026 20 30 EGEDLO Cc1cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)ccc1C#N ZINC000774865818 1303868585 /nfs/dbraw/zinc/86/85/85/1303868585.db2.gz YDVYGPPURQLEPD-HNNXBMFYSA-N 1 2 329.444 3.308 20 30 EGEDLO Cc1cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)ccc1C#N ZINC000774865818 1303868588 /nfs/dbraw/zinc/86/85/88/1303868588.db2.gz YDVYGPPURQLEPD-HNNXBMFYSA-N 1 2 329.444 3.308 20 30 EGEDLO N#Cc1ccc(CO[NH+]=C(N)c2ccc(F)cc2)c(Br)c1 ZINC000778024476 1304385500 /nfs/dbraw/zinc/38/55/00/1304385500.db2.gz CFVWFOCAEVFAKO-UHFFFAOYSA-N 1 2 348.175 3.297 20 30 EGEDLO C[NH+](C)[C@@H](C(=O)OCCCOc1cccc(C#N)c1)c1ccccc1 ZINC000780092120 1304637759 /nfs/dbraw/zinc/63/77/59/1304637759.db2.gz LNFDFRRGCZXMFM-LJQANCHMSA-N 1 2 338.407 3.173 20 30 EGEDLO Cc1ccc(NC(=O)Nc2ccccc2O[C@H](C)C#N)c(N(C)C)[nH+]1 ZINC000780605571 1304714837 /nfs/dbraw/zinc/71/48/37/1304714837.db2.gz VXFMDDISYMKWHX-CYBMUJFWSA-N 1 2 339.399 3.391 20 30 EGEDLO C#C[C@@H]([NH2+]Cc1nc(-c2cccc(OC)c2)cs1)[C@@H]1CCCO1 ZINC000893675928 1306023168 /nfs/dbraw/zinc/02/31/68/1306023168.db2.gz HTQZZKRMXCBCEV-WBVHZDCISA-N 1 2 328.437 3.089 20 30 EGEDLO C=C[C@@H]1OCCC[C@H]1Nc1[nH+]cnc2c1cnn2-c1ccccc1F ZINC000894077834 1306205347 /nfs/dbraw/zinc/20/53/47/1306205347.db2.gz HMMWGIGJVKJRFG-ZBFHGGJFSA-N 1 2 339.374 3.100 20 30 EGEDLO CC(C)(C)C[N@H+](CCC#N)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000790289275 1306289423 /nfs/dbraw/zinc/28/94/23/1306289423.db2.gz BCTIJVDYQSSWBF-SFHVURJKSA-N 1 2 327.472 3.439 20 30 EGEDLO CC(C)(C)C[N@@H+](CCC#N)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000790289275 1306289435 /nfs/dbraw/zinc/28/94/35/1306289435.db2.gz BCTIJVDYQSSWBF-SFHVURJKSA-N 1 2 327.472 3.439 20 30 EGEDLO Cn1cc[nH+]c1NN=Cc1ccc(Br)c2cccnc12 ZINC000790299952 1306293156 /nfs/dbraw/zinc/29/31/56/1306293156.db2.gz MOXNANLQNIPNAL-UHFFFAOYSA-N 1 2 330.189 3.177 20 30 EGEDLO O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000790581572 1306356896 /nfs/dbraw/zinc/35/68/96/1306356896.db2.gz DKWRMMBDPQFSIH-MRXNPFEDSA-N 1 2 347.340 3.117 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000957318701 1317280469 /nfs/dbraw/zinc/28/04/69/1317280469.db2.gz HTIPKHILVURRTL-UHFFFAOYSA-N 1 2 325.239 3.163 20 30 EGEDLO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)c2nnc(C)[nH]2)cc1OC ZINC000894777028 1309064512 /nfs/dbraw/zinc/06/45/12/1309064512.db2.gz IBAVTYZEQOELAZ-JTQLQIEISA-N 1 2 336.823 3.191 20 30 EGEDLO C#Cc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000895561211 1309403103 /nfs/dbraw/zinc/40/31/03/1309403103.db2.gz PHDGIYAOVNOQSL-UHFFFAOYSA-N 1 2 325.437 3.363 20 30 EGEDLO N#Cc1cccn(C[N@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)c1=O ZINC000793781124 1309440354 /nfs/dbraw/zinc/44/03/54/1309440354.db2.gz OPBPXDXFLXDCAO-INIZCTEOSA-N 1 2 345.855 3.197 20 30 EGEDLO N#Cc1cccn(C[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)c1=O ZINC000793781124 1309440360 /nfs/dbraw/zinc/44/03/60/1309440360.db2.gz OPBPXDXFLXDCAO-INIZCTEOSA-N 1 2 345.855 3.197 20 30 EGEDLO CC(=[NH+]NCCC(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000794546690 1309545150 /nfs/dbraw/zinc/54/51/50/1309545150.db2.gz ATXHVOLEDWNDBM-UHFFFAOYSA-N 1 2 349.784 3.443 20 30 EGEDLO CN(C)c1cc(F)ccc1C(=O)/C=C\c1ncc(C[NH+](C)C)s1 ZINC000794704154 1309577383 /nfs/dbraw/zinc/57/73/83/1309577383.db2.gz YWPWSLZFWIAVFM-FPLPWBNLSA-N 1 2 333.432 3.306 20 30 EGEDLO COc1cccc2c1CC/C(=C/c1ncc(C[NH+](C)C)s1)C2=O ZINC000794714514 1309581283 /nfs/dbraw/zinc/58/12/83/1309581283.db2.gz SEBALIWRBNMZOU-XFXZXTDPSA-N 1 2 328.437 3.426 20 30 EGEDLO CCn1c[nH+]c2c1CCN(c1c(C#N)cnc3c(C)cc(F)cc31)C2 ZINC000896660018 1309962396 /nfs/dbraw/zinc/96/23/96/1309962396.db2.gz QVNNJDPNLIDUCF-UHFFFAOYSA-N 1 2 335.386 3.333 20 30 EGEDLO C=CCNC(=S)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000797411884 1310186125 /nfs/dbraw/zinc/18/61/25/1310186125.db2.gz WFNCFWOOLCWWQW-UHFFFAOYSA-N 1 2 334.876 3.099 20 30 EGEDLO C=C(CC)C[NH+]1CCC(O)(c2scnc2Br)CC1 ZINC000797523430 1310207162 /nfs/dbraw/zinc/20/71/62/1310207162.db2.gz LMOPKTVSHYGMQZ-UHFFFAOYSA-N 1 2 331.279 3.155 20 30 EGEDLO Cc1cc(C)cc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 ZINC000798273730 1310332834 /nfs/dbraw/zinc/33/28/34/1310332834.db2.gz JGTISBSTTXYYFN-IRXDYDNUSA-N 1 2 329.444 3.152 20 30 EGEDLO CC(C)(C)OC(=O)N1CCC2(C[NH+](Cc3cc(C#N)cs3)C2)C1 ZINC000897894552 1310508876 /nfs/dbraw/zinc/50/88/76/1310508876.db2.gz HBPLPFQPXHDUBI-UHFFFAOYSA-N 1 2 333.457 3.063 20 30 EGEDLO Cc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1C#N ZINC000799408520 1310542453 /nfs/dbraw/zinc/54/24/53/1310542453.db2.gz PZVSQZLTFLWLSJ-VMPITWQZSA-N 1 2 345.446 3.338 20 30 EGEDLO CC[NH+](CC)Cc1csc(NC(=O)[C@]2(C#N)CC23CCCC3)n1 ZINC000898312714 1310673437 /nfs/dbraw/zinc/67/34/37/1310673437.db2.gz KMBCPPFUABRAIV-QGZVFWFLSA-N 1 2 332.473 3.397 20 30 EGEDLO Cc1ccc(C(=O)/C=C/C(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000900586884 1317311505 /nfs/dbraw/zinc/31/15/05/1317311505.db2.gz SDYPXSGSLVJQNQ-VAWYXSNFSA-N 1 2 337.423 3.137 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)cn1 ZINC000907815202 1318263797 /nfs/dbraw/zinc/26/37/97/1318263797.db2.gz JEFXIZBZTJQGQG-QGZVFWFLSA-N 1 2 348.450 3.121 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)cn1 ZINC000907815202 1318263800 /nfs/dbraw/zinc/26/38/00/1318263800.db2.gz JEFXIZBZTJQGQG-QGZVFWFLSA-N 1 2 348.450 3.121 20 30 EGEDLO C=CCn1c(C2CCC2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000908640386 1318377930 /nfs/dbraw/zinc/37/79/30/1318377930.db2.gz RLPVACRZDXSVBB-UHFFFAOYSA-N 1 2 338.459 3.208 20 30 EGEDLO C=CCCCCCCCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000812492317 1318401735 /nfs/dbraw/zinc/40/17/35/1318401735.db2.gz DCLKWIIAPRUELE-GOSISDBHSA-N 1 2 337.508 3.019 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1nccs1 ZINC000960649691 1318770180 /nfs/dbraw/zinc/77/01/80/1318770180.db2.gz OCBQTTGCHCWJEN-ZDUSSCGKSA-N 1 2 341.908 3.345 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nccs1 ZINC000960649691 1318770172 /nfs/dbraw/zinc/77/01/72/1318770172.db2.gz OCBQTTGCHCWJEN-ZDUSSCGKSA-N 1 2 341.908 3.345 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)[C@@H](C)c1nnc(CC)o1 ZINC000960785138 1318885658 /nfs/dbraw/zinc/88/56/58/1318885658.db2.gz DRASDUIBAGSPFV-GJZGRUSLSA-N 1 2 348.491 3.218 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)[C@@H](C)c1nnc(CC)o1 ZINC000960785138 1318885663 /nfs/dbraw/zinc/88/56/63/1318885663.db2.gz DRASDUIBAGSPFV-GJZGRUSLSA-N 1 2 348.491 3.218 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nc(C)c(C)o1 ZINC000960789837 1318891318 /nfs/dbraw/zinc/89/13/18/1318891318.db2.gz YPXBFMMJNNOQKI-MRXNPFEDSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nc(C)c(C)o1 ZINC000960789837 1318891334 /nfs/dbraw/zinc/89/13/34/1318891334.db2.gz YPXBFMMJNNOQKI-MRXNPFEDSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2coc(C)n2)CC1 ZINC000960829154 1318956670 /nfs/dbraw/zinc/95/66/70/1318956670.db2.gz GEFMGBWDQHRGGK-GOSISDBHSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2coc(C)n2)CC1 ZINC000960829154 1318956684 /nfs/dbraw/zinc/95/66/84/1318956684.db2.gz GEFMGBWDQHRGGK-GOSISDBHSA-N 1 2 331.460 3.152 20 30 EGEDLO N#CC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000930254935 1328820898 /nfs/dbraw/zinc/82/08/98/1328820898.db2.gz JKPMYWZSWIVIES-WBVHZDCISA-N 1 2 328.391 3.017 20 30 EGEDLO N#CC[C@@H](O)C[N@H+]1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000930254935 1328820901 /nfs/dbraw/zinc/82/09/01/1328820901.db2.gz JKPMYWZSWIVIES-WBVHZDCISA-N 1 2 328.391 3.017 20 30 EGEDLO Cc1[nH+]c(C=NN=c2[nH]c3cc(F)c(F)cc3[nH]2)c2ccccn12 ZINC000914599321 1319353031 /nfs/dbraw/zinc/35/30/31/1319353031.db2.gz FJDCDMQSNNCXOU-UHFFFAOYSA-N 1 2 326.310 3.243 20 30 EGEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(SC(C)(C)C)c(F)c1 ZINC000819490176 1319746906 /nfs/dbraw/zinc/74/69/06/1319746906.db2.gz VDJUJZGSDBTKIG-AWEZNQCLSA-N 1 2 339.480 3.335 20 30 EGEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(SC(C)(C)C)c(F)c1 ZINC000819490176 1319746912 /nfs/dbraw/zinc/74/69/12/1319746912.db2.gz VDJUJZGSDBTKIG-AWEZNQCLSA-N 1 2 339.480 3.335 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](O)c1ccc(OC)cc1 ZINC000820623896 1319923660 /nfs/dbraw/zinc/92/36/60/1319923660.db2.gz GPMLXFSUWNSDTP-QGZVFWFLSA-N 1 2 326.396 3.028 20 30 EGEDLO C[NH+](C)Cc1cccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000821022267 1319994139 /nfs/dbraw/zinc/99/41/39/1319994139.db2.gz QCKUMMFFKWIGIF-VQHVLOKHSA-N 1 2 326.352 3.258 20 30 EGEDLO C#CCCOc1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000822725915 1320117404 /nfs/dbraw/zinc/11/74/04/1320117404.db2.gz KDMVSHUEAKLAHZ-GOSISDBHSA-N 1 2 339.439 3.130 20 30 EGEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(c3ncco3)CC2)cc1Cl ZINC000826783099 1320404270 /nfs/dbraw/zinc/40/42/70/1320404270.db2.gz PVLONPFQVYPORP-UHFFFAOYSA-N 1 2 344.802 3.018 20 30 EGEDLO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000836605518 1320511046 /nfs/dbraw/zinc/51/10/46/1320511046.db2.gz VIMJUUZMFBPFQE-LJQANCHMSA-N 1 2 344.418 3.257 20 30 EGEDLO N#CCn1c(=O)c2ccccc2nc1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000836605518 1320511048 /nfs/dbraw/zinc/51/10/48/1320511048.db2.gz VIMJUUZMFBPFQE-LJQANCHMSA-N 1 2 344.418 3.257 20 30 EGEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)OC ZINC000839168690 1320883241 /nfs/dbraw/zinc/88/32/41/1320883241.db2.gz MUGBVOHTJLGIPU-OAGGEKHMSA-N 1 2 339.357 3.496 20 30 EGEDLO C=CCn1nnn(C[N@H+](Cc2ccccc2)[C@H](C)C2CC2)c1=S ZINC000919940424 1322119900 /nfs/dbraw/zinc/11/99/00/1322119900.db2.gz GSEVRFHLTFZNIG-CQSZACIVSA-N 1 2 329.473 3.253 20 30 EGEDLO C=CCn1nnn(C[N@@H+](Cc2ccccc2)[C@H](C)C2CC2)c1=S ZINC000919940424 1322119902 /nfs/dbraw/zinc/11/99/02/1322119902.db2.gz GSEVRFHLTFZNIG-CQSZACIVSA-N 1 2 329.473 3.253 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000859616642 1329036021 /nfs/dbraw/zinc/03/60/21/1329036021.db2.gz VRWAIJWNPWXKPO-DYVFJYSZSA-N 1 2 332.419 3.497 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000859616642 1329036026 /nfs/dbraw/zinc/03/60/26/1329036026.db2.gz VRWAIJWNPWXKPO-DYVFJYSZSA-N 1 2 332.419 3.497 20 30 EGEDLO C=CCCCCCCCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852339241 1323179769 /nfs/dbraw/zinc/17/97/69/1323179769.db2.gz HVWNGKVTKCGFJM-GOSISDBHSA-N 1 2 337.508 3.019 20 30 EGEDLO C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C[C@@H]1CC1(C)C ZINC000852771141 1323239854 /nfs/dbraw/zinc/23/98/54/1323239854.db2.gz CGDAWHKDXZTJKI-STQMWFEESA-N 1 2 327.453 3.450 20 30 EGEDLO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C[C@@H]1CC1(C)C ZINC000852771141 1323239861 /nfs/dbraw/zinc/23/98/61/1323239861.db2.gz CGDAWHKDXZTJKI-STQMWFEESA-N 1 2 327.453 3.450 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1c2c[nH]nc2ccc1C ZINC001024518576 1323469854 /nfs/dbraw/zinc/46/98/54/1323469854.db2.gz KNQBLIFVBMZECW-AWEZNQCLSA-N 1 2 346.862 3.208 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1c2c[nH]nc2ccc1C ZINC001024518576 1323469863 /nfs/dbraw/zinc/46/98/63/1323469863.db2.gz KNQBLIFVBMZECW-AWEZNQCLSA-N 1 2 346.862 3.208 20 30 EGEDLO Cc1cocc1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001024603911 1323531965 /nfs/dbraw/zinc/53/19/65/1323531965.db2.gz HDRVZVXWCLWBOP-SFHVURJKSA-N 1 2 337.423 3.244 20 30 EGEDLO Cc1cocc1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001024603911 1323531974 /nfs/dbraw/zinc/53/19/74/1323531974.db2.gz HDRVZVXWCLWBOP-SFHVURJKSA-N 1 2 337.423 3.244 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccc(F)cn2)CC1 ZINC001024634721 1323560874 /nfs/dbraw/zinc/56/08/74/1323560874.db2.gz WKYIFKCOAJNZSW-IBGZPJMESA-N 1 2 345.462 3.438 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cn2)CC1 ZINC001024634721 1323560881 /nfs/dbraw/zinc/56/08/81/1323560881.db2.gz WKYIFKCOAJNZSW-IBGZPJMESA-N 1 2 345.462 3.438 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2c([nH]1)CCCC2 ZINC001024748318 1323649292 /nfs/dbraw/zinc/64/92/92/1323649292.db2.gz HMHMPRCWWWBVRY-HNNXBMFYSA-N 1 2 335.879 3.230 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc2c([nH]1)CCCC2 ZINC001024748318 1323649299 /nfs/dbraw/zinc/64/92/99/1323649299.db2.gz HMHMPRCWWWBVRY-HNNXBMFYSA-N 1 2 335.879 3.230 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](CN2C(=S)N=NC2CCC2CCCC2)C1 ZINC000853525534 1325113846 /nfs/dbraw/zinc/11/38/46/1325113846.db2.gz XXHWFEUAWHYJPD-OAHLLOKOSA-N 1 2 333.505 3.273 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](CN2C(=S)N=NC2CCC2CCCC2)C1 ZINC000853525534 1325113852 /nfs/dbraw/zinc/11/38/52/1325113852.db2.gz XXHWFEUAWHYJPD-OAHLLOKOSA-N 1 2 333.505 3.273 20 30 EGEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2nc(C(C)(C)C)cs2)C1 ZINC001027330084 1325486550 /nfs/dbraw/zinc/48/65/50/1325486550.db2.gz HXXUFYZQMDXCLV-ZIAGYGMSSA-N 1 2 348.516 3.023 20 30 EGEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2nc(C(C)(C)C)cs2)C1 ZINC001027330084 1325486564 /nfs/dbraw/zinc/48/65/64/1325486564.db2.gz HXXUFYZQMDXCLV-ZIAGYGMSSA-N 1 2 348.516 3.023 20 30 EGEDLO C[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)CC1CC1 ZINC000964628114 1325587031 /nfs/dbraw/zinc/58/70/31/1325587031.db2.gz LTYBZCXTORUUJX-HNAYVOBHSA-N 1 2 344.886 3.318 20 30 EGEDLO C[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)CC1CC1 ZINC000964628114 1325587037 /nfs/dbraw/zinc/58/70/37/1325587037.db2.gz LTYBZCXTORUUJX-HNAYVOBHSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC001027424586 1327658274 /nfs/dbraw/zinc/65/82/74/1327658274.db2.gz BLDMTKBOHONWGE-CQSZACIVSA-N 1 2 339.867 3.185 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC001027424586 1327658283 /nfs/dbraw/zinc/65/82/83/1327658283.db2.gz BLDMTKBOHONWGE-CQSZACIVSA-N 1 2 339.867 3.185 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([N@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001027521441 1327793504 /nfs/dbraw/zinc/79/35/04/1327793504.db2.gz CVSLQJWCDWJWHN-INIZCTEOSA-N 1 2 331.460 3.187 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001027521441 1327793510 /nfs/dbraw/zinc/79/35/10/1327793510.db2.gz CVSLQJWCDWJWHN-INIZCTEOSA-N 1 2 331.460 3.187 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@@H+](C)[C@@H](C)c3nnc(C)o3)C2)CC1 ZINC001027559465 1327870905 /nfs/dbraw/zinc/87/09/05/1327870905.db2.gz YTSSLVFRSGJWIG-YOEHRIQHSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@H+](C)[C@@H](C)c3nnc(C)o3)C2)CC1 ZINC001027559465 1327870911 /nfs/dbraw/zinc/87/09/11/1327870911.db2.gz YTSSLVFRSGJWIG-YOEHRIQHSA-N 1 2 346.475 3.108 20 30 EGEDLO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1Cl)C1CCC1 ZINC001027716519 1328128044 /nfs/dbraw/zinc/12/80/44/1328128044.db2.gz FTGVSSJSRHRUDQ-QGZVFWFLSA-N 1 2 330.859 3.072 20 30 EGEDLO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl)C1CCC1 ZINC001027716519 1328128047 /nfs/dbraw/zinc/12/80/47/1328128047.db2.gz FTGVSSJSRHRUDQ-QGZVFWFLSA-N 1 2 330.859 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2oc(C)nc2c1 ZINC001027961894 1328432088 /nfs/dbraw/zinc/43/20/88/1328432088.db2.gz IBBRLNOVNHSDRM-AWEZNQCLSA-N 1 2 333.819 3.083 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2oc(C)nc2c1 ZINC001027961894 1328432092 /nfs/dbraw/zinc/43/20/92/1328432092.db2.gz IBBRLNOVNHSDRM-AWEZNQCLSA-N 1 2 333.819 3.083 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc([C@H]2CCOC2)c1 ZINC001027979095 1328452692 /nfs/dbraw/zinc/45/26/92/1328452692.db2.gz UYSSJDRNFSGJEV-ROUUACIJSA-N 1 2 348.874 3.137 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc([C@H]2CCOC2)c1 ZINC001027979095 1328452695 /nfs/dbraw/zinc/45/26/95/1328452695.db2.gz UYSSJDRNFSGJEV-ROUUACIJSA-N 1 2 348.874 3.137 20 30 EGEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](C#N)C2)sc2c1CCCC2 ZINC000932159935 1329789784 /nfs/dbraw/zinc/78/97/84/1329789784.db2.gz BCTKRUNQXKXOFO-CYBMUJFWSA-N 1 2 342.468 3.063 20 30 EGEDLO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H](C#N)C2)sc2c1CCCC2 ZINC000932159935 1329789786 /nfs/dbraw/zinc/78/97/86/1329789786.db2.gz BCTKRUNQXKXOFO-CYBMUJFWSA-N 1 2 342.468 3.063 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3ncc(C(C)C)o3)C[C@@H]2C)C1 ZINC000942607706 1332003560 /nfs/dbraw/zinc/00/35/60/1332003560.db2.gz JQLHELAGPIJNEE-JKSUJKDBSA-N 1 2 345.487 3.481 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3ncc(C(C)C)o3)C[C@@H]2C)C1 ZINC000942607706 1332003563 /nfs/dbraw/zinc/00/35/63/1332003563.db2.gz JQLHELAGPIJNEE-JKSUJKDBSA-N 1 2 345.487 3.481 20 30 EGEDLO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)CC[C@@H]2C1 ZINC000946597778 1332859635 /nfs/dbraw/zinc/85/96/35/1332859635.db2.gz JVTMZZBIYNSRNB-HZSPNIEDSA-N 1 2 336.373 3.023 20 30 EGEDLO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)CC[C@@H]2C1 ZINC000946597778 1332859638 /nfs/dbraw/zinc/85/96/38/1332859638.db2.gz JVTMZZBIYNSRNB-HZSPNIEDSA-N 1 2 336.373 3.023 20 30 EGEDLO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)CC[C@@H]2C1 ZINC000946597778 1332859639 /nfs/dbraw/zinc/85/96/39/1332859639.db2.gz JVTMZZBIYNSRNB-HZSPNIEDSA-N 1 2 336.373 3.023 20 30 EGEDLO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)CC[C@@H]2C1 ZINC000946597778 1332859644 /nfs/dbraw/zinc/85/96/44/1332859644.db2.gz JVTMZZBIYNSRNB-HZSPNIEDSA-N 1 2 336.373 3.023 20 30 EGEDLO C=CCn1cccc1C(=O)N1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000948772868 1333673010 /nfs/dbraw/zinc/67/30/10/1333673010.db2.gz MYYRXTDBVLDHRD-UHFFFAOYSA-N 1 2 349.434 3.378 20 30 EGEDLO C=C(C)C[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccns1 ZINC000948923547 1333735193 /nfs/dbraw/zinc/73/51/93/1333735193.db2.gz LSXAZFHBLPNHBP-MRXNPFEDSA-N 1 2 327.453 3.048 20 30 EGEDLO C=C(C)C[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccns1 ZINC000948923547 1333735196 /nfs/dbraw/zinc/73/51/96/1333735196.db2.gz LSXAZFHBLPNHBP-MRXNPFEDSA-N 1 2 327.453 3.048 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC2(CC1)C[N@H+](C[C@H](F)CC)CCO2 ZINC000949433127 1333845720 /nfs/dbraw/zinc/84/57/20/1333845720.db2.gz CPTJVMMRQHNUDE-MRXNPFEDSA-N 1 2 340.483 3.030 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC2(CC1)C[N@@H+](C[C@H](F)CC)CCO2 ZINC000949433127 1333845723 /nfs/dbraw/zinc/84/57/23/1333845723.db2.gz CPTJVMMRQHNUDE-MRXNPFEDSA-N 1 2 340.483 3.030 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](CCOc2cccc(C)c2)CC1 ZINC000949635755 1333887000 /nfs/dbraw/zinc/88/70/00/1333887000.db2.gz OSUKGSGHJLLLBS-UHFFFAOYSA-N 1 2 330.472 3.120 20 30 EGEDLO C=C1CCC(C(=O)N2CC[NH+](Cc3ccc(C)nc3C)CC2)CC1 ZINC000950018481 1333993097 /nfs/dbraw/zinc/99/30/97/1333993097.db2.gz IVHPSYCYIIYOIX-UHFFFAOYSA-N 1 2 327.472 3.089 20 30 EGEDLO C#Cc1cncc(C(=O)N(CC)C2C[NH+](Cc3ccc(C)c(C)c3)C2)c1 ZINC000951719658 1334307391 /nfs/dbraw/zinc/30/73/91/1334307391.db2.gz YRLPSJGPLUVMNN-UHFFFAOYSA-N 1 2 347.462 3.026 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC000968194590 1335868988 /nfs/dbraw/zinc/86/89/88/1335868988.db2.gz ZILMLGYHHQQMDC-CRAIPNDOSA-N 1 2 334.891 3.425 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC000968194590 1335868992 /nfs/dbraw/zinc/86/89/92/1335868992.db2.gz ZILMLGYHHQQMDC-CRAIPNDOSA-N 1 2 334.891 3.425 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3ccn(C(C)C)n3)CC[C@@H]2C)C1 ZINC000968275926 1335883003 /nfs/dbraw/zinc/88/30/03/1335883003.db2.gz TZOULPWWOMRDTH-FUHWJXTLSA-N 1 2 344.503 3.147 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3ccn(C(C)C)n3)CC[C@@H]2C)C1 ZINC000968275926 1335883005 /nfs/dbraw/zinc/88/30/05/1335883005.db2.gz TZOULPWWOMRDTH-FUHWJXTLSA-N 1 2 344.503 3.147 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3ccn(C(C)C)n3)CC[C@H]2C)C1 ZINC000968275927 1335883025 /nfs/dbraw/zinc/88/30/25/1335883025.db2.gz TZOULPWWOMRDTH-SJLPKXTDSA-N 1 2 344.503 3.147 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3ccn(C(C)C)n3)CC[C@H]2C)C1 ZINC000968275927 1335883028 /nfs/dbraw/zinc/88/30/28/1335883028.db2.gz TZOULPWWOMRDTH-SJLPKXTDSA-N 1 2 344.503 3.147 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC000968340069 1335894449 /nfs/dbraw/zinc/89/44/49/1335894449.db2.gz LSWGKQBVKIRRDB-KZULUSFZSA-N 1 2 347.890 3.460 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC000968340069 1335894454 /nfs/dbraw/zinc/89/44/54/1335894454.db2.gz LSWGKQBVKIRRDB-KZULUSFZSA-N 1 2 347.890 3.460 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(OC)c2C)C1 ZINC000968366555 1335905124 /nfs/dbraw/zinc/90/51/24/1335905124.db2.gz ZKPOWKVIXAOZPY-WBMJQRKESA-N 1 2 336.863 3.196 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(OC)c2C)C1 ZINC000968366555 1335905125 /nfs/dbraw/zinc/90/51/25/1335905125.db2.gz ZKPOWKVIXAOZPY-WBMJQRKESA-N 1 2 336.863 3.196 20 30 EGEDLO Cc1cc(NCC[C@H]2CCCCN2C(=O)[C@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001063822453 1352028271 /nfs/dbraw/zinc/02/82/71/1352028271.db2.gz BCRJARTVLONLID-GDBMZVCRSA-N 1 2 343.475 3.251 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc3c(C)cccn3c2)C1 ZINC000968540487 1335956973 /nfs/dbraw/zinc/95/69/73/1335956973.db2.gz VOBHDDPBWLVUDO-GUYCJALGSA-N 1 2 345.874 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc3c(C)cccn3c2)C1 ZINC000968540487 1335956974 /nfs/dbraw/zinc/95/69/74/1335956974.db2.gz VOBHDDPBWLVUDO-GUYCJALGSA-N 1 2 345.874 3.440 20 30 EGEDLO C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C(C)(C)C ZINC000968574872 1335967375 /nfs/dbraw/zinc/96/73/75/1335967375.db2.gz OLCLUJDJFJBRMA-SUMWQHHRSA-N 1 2 331.435 3.070 20 30 EGEDLO C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C(C)(C)C ZINC000968574872 1335967378 /nfs/dbraw/zinc/96/73/78/1335967378.db2.gz OLCLUJDJFJBRMA-SUMWQHHRSA-N 1 2 331.435 3.070 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CC=CC1 ZINC000968791279 1336052319 /nfs/dbraw/zinc/05/23/19/1336052319.db2.gz MOXJRERSWUCIGV-OAHLLOKOSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@H+]1CCCCC[C@@H]1CNC(=O)C1CC=CC1 ZINC000968791279 1336052320 /nfs/dbraw/zinc/05/23/20/1336052320.db2.gz MOXJRERSWUCIGV-OAHLLOKOSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+][C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000969564657 1336224676 /nfs/dbraw/zinc/22/46/76/1336224676.db2.gz ZVNPTFXAQAJGCL-ZIAGYGMSSA-N 1 2 348.491 3.221 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC000969960833 1336266613 /nfs/dbraw/zinc/26/66/13/1336266613.db2.gz ICASRXCEOHHTJN-KBXCAEBGSA-N 1 2 332.875 3.296 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)c2cocc2C)CC1 ZINC001005835054 1336406596 /nfs/dbraw/zinc/40/65/96/1336406596.db2.gz ZCSLYBWMKGSYLG-UHFFFAOYSA-N 1 2 341.249 3.033 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H](C)C2)CC1 ZINC001006081762 1336448866 /nfs/dbraw/zinc/44/88/66/1336448866.db2.gz GZNLZHFLNGQDDH-GXTWGEPZSA-N 1 2 343.309 3.254 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccc3)C2)c1 ZINC001006615901 1336539200 /nfs/dbraw/zinc/53/92/00/1336539200.db2.gz PUWUUQYGKMXUGZ-GOSISDBHSA-N 1 2 337.398 3.092 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](NC(=O)c3ccccc3)C2)c1 ZINC001006615901 1336539202 /nfs/dbraw/zinc/53/92/02/1336539202.db2.gz PUWUUQYGKMXUGZ-GOSISDBHSA-N 1 2 337.398 3.092 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)CC2CCCC2)C1 ZINC001006637023 1336545471 /nfs/dbraw/zinc/54/54/71/1336545471.db2.gz IVXMYNLTDMTUEA-LJQANCHMSA-N 1 2 325.456 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)CC2CCCC2)C1 ZINC001006637023 1336545472 /nfs/dbraw/zinc/54/54/72/1336545472.db2.gz IVXMYNLTDMTUEA-LJQANCHMSA-N 1 2 325.456 3.219 20 30 EGEDLO CC1(C)C[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001007125633 1336647491 /nfs/dbraw/zinc/64/74/91/1336647491.db2.gz BAPYKMFQTITMIX-QZTJIDSGSA-N 1 2 344.886 3.318 20 30 EGEDLO CC1(C)C[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001007125633 1336647493 /nfs/dbraw/zinc/64/74/93/1336647493.db2.gz BAPYKMFQTITMIX-QZTJIDSGSA-N 1 2 344.886 3.318 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001007610768 1336677214 /nfs/dbraw/zinc/67/72/14/1336677214.db2.gz QLJWZUJYLAJSBN-FXAWDEMLSA-N 1 2 337.467 3.385 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001007610768 1336677217 /nfs/dbraw/zinc/67/72/17/1336677217.db2.gz QLJWZUJYLAJSBN-FXAWDEMLSA-N 1 2 337.467 3.385 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)c2occ3c2CCC3)C1 ZINC001008078359 1336763872 /nfs/dbraw/zinc/76/38/72/1336763872.db2.gz SDWRKZMMJJOGCT-SFHVURJKSA-N 1 2 349.434 3.034 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)c2occ3c2CCC3)C1 ZINC001008078359 1336763874 /nfs/dbraw/zinc/76/38/74/1336763874.db2.gz SDWRKZMMJJOGCT-SFHVURJKSA-N 1 2 349.434 3.034 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001008260847 1336807310 /nfs/dbraw/zinc/80/73/10/1336807310.db2.gz YOSGTUOJGBOLHK-SJORKVTESA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001008260847 1336807312 /nfs/dbraw/zinc/80/73/12/1336807312.db2.gz YOSGTUOJGBOLHK-SJORKVTESA-N 1 2 343.446 3.214 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+]([C@@H](C)c3ncc(C)o3)C2)CC1 ZINC001008412753 1336845074 /nfs/dbraw/zinc/84/50/74/1336845074.db2.gz TVRUJNKNDNIXHH-DOTOQJQBSA-N 1 2 331.460 3.371 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)c3ncc(C)o3)C2)CC1 ZINC001008412753 1336845077 /nfs/dbraw/zinc/84/50/77/1336845077.db2.gz TVRUJNKNDNIXHH-DOTOQJQBSA-N 1 2 331.460 3.371 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](Cc3ncc(C)s3)C2)CC1 ZINC001008413988 1336845934 /nfs/dbraw/zinc/84/59/34/1336845934.db2.gz YCJSDLRVOOSUST-MRXNPFEDSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](Cc3ncc(C)s3)C2)CC1 ZINC001008413988 1336845936 /nfs/dbraw/zinc/84/59/36/1336845936.db2.gz YCJSDLRVOOSUST-MRXNPFEDSA-N 1 2 333.501 3.279 20 30 EGEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1CC12CC2 ZINC001008678007 1336909256 /nfs/dbraw/zinc/90/92/56/1336909256.db2.gz RJBFLJUSZCMSQJ-MSOLQXFVSA-N 1 2 342.870 3.072 20 30 EGEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1CC12CC2 ZINC001008678007 1336909258 /nfs/dbraw/zinc/90/92/58/1336909258.db2.gz RJBFLJUSZCMSQJ-MSOLQXFVSA-N 1 2 342.870 3.072 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(N3CC=CC3)c2)C1 ZINC001008701475 1336914040 /nfs/dbraw/zinc/91/40/40/1336914040.db2.gz AREUZKGDSDYNRJ-KRWDZBQOSA-N 1 2 345.874 3.010 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cccc(N3CC=CC3)c2)C1 ZINC001008701475 1336914041 /nfs/dbraw/zinc/91/40/41/1336914041.db2.gz AREUZKGDSDYNRJ-KRWDZBQOSA-N 1 2 345.874 3.010 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc3c(c2)CCC3)C1 ZINC001009487004 1337029848 /nfs/dbraw/zinc/02/98/48/1337029848.db2.gz IFPCLFGAKACWDH-GOSISDBHSA-N 1 2 332.875 3.051 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2ccc3c(c2)CCC3)C1 ZINC001009487004 1337029851 /nfs/dbraw/zinc/02/98/51/1337029851.db2.gz IFPCLFGAKACWDH-GOSISDBHSA-N 1 2 332.875 3.051 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC(CCN(C)c2cc[nH+]c(C)n2)CC1 ZINC001063970989 1352117057 /nfs/dbraw/zinc/11/70/57/1352117057.db2.gz RTKNDCUGMDWPCC-UHFFFAOYSA-N 1 2 344.503 3.452 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3ccccc3nc2C)C1 ZINC001014615676 1337849353 /nfs/dbraw/zinc/84/93/53/1337849353.db2.gz GBUAKQCBWFJMSZ-HNNXBMFYSA-N 1 2 329.831 3.100 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3ccccc3nc2C)C1 ZINC001014615676 1337849355 /nfs/dbraw/zinc/84/93/55/1337849355.db2.gz GBUAKQCBWFJMSZ-HNNXBMFYSA-N 1 2 329.831 3.100 20 30 EGEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)C1(C2CC2)CC1 ZINC001014846661 1337922530 /nfs/dbraw/zinc/92/25/30/1337922530.db2.gz BYZIGAHOTBCPHN-GOSISDBHSA-N 1 2 342.870 3.072 20 30 EGEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)C1(C2CC2)CC1 ZINC001014846661 1337922532 /nfs/dbraw/zinc/92/25/32/1337922532.db2.gz BYZIGAHOTBCPHN-GOSISDBHSA-N 1 2 342.870 3.072 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)C[C@@H]3C=CCCC3)C2)c1 ZINC001014910057 1337947167 /nfs/dbraw/zinc/94/71/67/1337947167.db2.gz PBUZTTHWRUNLGD-QAPCUYQASA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)C[C@@H]3C=CCCC3)C2)c1 ZINC001014910057 1337947168 /nfs/dbraw/zinc/94/71/68/1337947168.db2.gz PBUZTTHWRUNLGD-QAPCUYQASA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccc3c(C)c(C)[nH]c32)C1 ZINC001014978111 1337975566 /nfs/dbraw/zinc/97/55/66/1337975566.db2.gz LLJUHDFFTYGKPA-CQSZACIVSA-N 1 2 331.847 3.341 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3c(C)c(C)[nH]c32)C1 ZINC001014978111 1337975571 /nfs/dbraw/zinc/97/55/71/1337975571.db2.gz LLJUHDFFTYGKPA-CQSZACIVSA-N 1 2 331.847 3.341 20 30 EGEDLO CCc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)s1 ZINC001015148472 1338033935 /nfs/dbraw/zinc/03/39/35/1338033935.db2.gz JGBRWRLKSOGTSR-GFCCVEGCSA-N 1 2 345.493 3.248 20 30 EGEDLO CCc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)s1 ZINC001015148472 1338033937 /nfs/dbraw/zinc/03/39/37/1338033937.db2.gz JGBRWRLKSOGTSR-GFCCVEGCSA-N 1 2 345.493 3.248 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)C[C@H]3CC=CCC3)C2)c1 ZINC001015525809 1338166934 /nfs/dbraw/zinc/16/69/34/1338166934.db2.gz BNLLAUCZCGDOOL-MAUKXSAKSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)C[C@H]3CC=CCC3)C2)c1 ZINC001015525809 1338166938 /nfs/dbraw/zinc/16/69/38/1338166938.db2.gz BNLLAUCZCGDOOL-MAUKXSAKSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)CC1 ZINC001015659656 1338238435 /nfs/dbraw/zinc/23/84/35/1338238435.db2.gz GVPXDIDYYLDQNB-MRXNPFEDSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(F)c3F)C2)CC1 ZINC001015659656 1338238436 /nfs/dbraw/zinc/23/84/36/1338238436.db2.gz GVPXDIDYYLDQNB-MRXNPFEDSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC001015659761 1338238550 /nfs/dbraw/zinc/23/85/50/1338238550.db2.gz JXSAJKXRZFOKPB-GOSISDBHSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC001015659761 1338238554 /nfs/dbraw/zinc/23/85/54/1338238554.db2.gz JXSAJKXRZFOKPB-GOSISDBHSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC001015758549 1338294378 /nfs/dbraw/zinc/29/43/78/1338294378.db2.gz SLVNIBAEPRGIKR-KRWDZBQOSA-N 1 2 347.409 3.074 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC001015758549 1338294380 /nfs/dbraw/zinc/29/43/80/1338294380.db2.gz SLVNIBAEPRGIKR-KRWDZBQOSA-N 1 2 347.409 3.074 20 30 EGEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cc2[nH]ccc2s1 ZINC001016129077 1338470783 /nfs/dbraw/zinc/47/07/83/1338470783.db2.gz OXOLNRGDNJZFJN-INIZCTEOSA-N 1 2 349.459 3.085 20 30 EGEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cc2[nH]ccc2s1 ZINC001016129077 1338470785 /nfs/dbraw/zinc/47/07/85/1338470785.db2.gz OXOLNRGDNJZFJN-INIZCTEOSA-N 1 2 349.459 3.085 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1C ZINC001016166584 1338487723 /nfs/dbraw/zinc/48/77/23/1338487723.db2.gz BIAQRLHFQWPQMY-FQEVSTJZSA-N 1 2 333.435 3.179 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cc1C ZINC001016166584 1338487727 /nfs/dbraw/zinc/48/77/27/1338487727.db2.gz BIAQRLHFQWPQMY-FQEVSTJZSA-N 1 2 333.435 3.179 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2ccc(CF)cc2)C1 ZINC001016365163 1338569174 /nfs/dbraw/zinc/56/91/74/1338569174.db2.gz UTCLBCFCJUDHBK-LJQANCHMSA-N 1 2 337.398 3.032 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2ccc(CF)cc2)C1 ZINC001016365163 1338569175 /nfs/dbraw/zinc/56/91/75/1338569175.db2.gz UTCLBCFCJUDHBK-LJQANCHMSA-N 1 2 337.398 3.032 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CC(c3ccc(F)cc3)C2)C1 ZINC001016414888 1338594977 /nfs/dbraw/zinc/59/49/77/1338594977.db2.gz PKWMQQBOOCQYCQ-VMBOVVBDSA-N 1 2 336.838 3.262 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CC(c3ccc(F)cc3)C2)C1 ZINC001016414888 1338594980 /nfs/dbraw/zinc/59/49/80/1338594980.db2.gz PKWMQQBOOCQYCQ-VMBOVVBDSA-N 1 2 336.838 3.262 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H](C[N@@H+](C)[C@H](C)c3csnn3)C2)C1 ZINC001017207922 1338953789 /nfs/dbraw/zinc/95/37/89/1338953789.db2.gz PSNDBPXDOAVXAC-HUUCEWRRSA-N 1 2 348.516 3.126 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H](C[N@H+](C)[C@H](C)c3csnn3)C2)C1 ZINC001017207922 1338953790 /nfs/dbraw/zinc/95/37/90/1338953790.db2.gz PSNDBPXDOAVXAC-HUUCEWRRSA-N 1 2 348.516 3.126 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)c2ccccc2c1 ZINC001017603373 1339375979 /nfs/dbraw/zinc/37/59/79/1339375979.db2.gz NXVACYDJWQXCGR-HDICACEKSA-N 1 2 336.410 3.291 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)c2ccccc2c1 ZINC001017603373 1339375981 /nfs/dbraw/zinc/37/59/81/1339375981.db2.gz NXVACYDJWQXCGR-HDICACEKSA-N 1 2 336.410 3.291 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)ccc1Cl ZINC001018211906 1339534420 /nfs/dbraw/zinc/53/44/20/1339534420.db2.gz NJWSOQPCVSSYRR-OKILXGFUSA-N 1 2 337.250 3.306 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)ccc1Cl ZINC001018211906 1339534421 /nfs/dbraw/zinc/53/44/21/1339534421.db2.gz NJWSOQPCVSSYRR-OKILXGFUSA-N 1 2 337.250 3.306 20 30 EGEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC001018254553 1339550477 /nfs/dbraw/zinc/55/04/77/1339550477.db2.gz UCKFANAAJROLRV-BMFZPTHFSA-N 1 2 330.497 3.348 20 30 EGEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC001018254553 1339550479 /nfs/dbraw/zinc/55/04/79/1339550479.db2.gz UCKFANAAJROLRV-BMFZPTHFSA-N 1 2 330.497 3.348 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c2ccccc2oc1CC ZINC001018309964 1339571422 /nfs/dbraw/zinc/57/14/22/1339571422.db2.gz CANOTZGRFDMBRS-IYBDPMFKSA-N 1 2 336.435 3.307 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c2ccccc2oc1CC ZINC001018309964 1339571424 /nfs/dbraw/zinc/57/14/24/1339571424.db2.gz CANOTZGRFDMBRS-IYBDPMFKSA-N 1 2 336.435 3.307 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001018910503 1339750940 /nfs/dbraw/zinc/75/09/40/1339750940.db2.gz SRWUKSKTEJGMLL-ZDUSSCGKSA-N 1 2 337.851 3.021 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001028121955 1340441547 /nfs/dbraw/zinc/44/15/47/1340441547.db2.gz BQIAWAXEDLQMNC-KGLIPLIRSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001028121955 1340441546 /nfs/dbraw/zinc/44/15/46/1340441546.db2.gz BQIAWAXEDLQMNC-KGLIPLIRSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1F ZINC001028190812 1340476656 /nfs/dbraw/zinc/47/66/56/1340476656.db2.gz BSQVOQAJMPZJNE-CWRNSKLLSA-N 1 2 336.838 3.262 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1F ZINC001028190812 1340476657 /nfs/dbraw/zinc/47/66/57/1340476657.db2.gz BSQVOQAJMPZJNE-CWRNSKLLSA-N 1 2 336.838 3.262 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1coc(-c2ccccc2)n1 ZINC001028268369 1340522963 /nfs/dbraw/zinc/52/29/63/1340522963.db2.gz UHBFAJIHYGFKLE-HNNXBMFYSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1coc(-c2ccccc2)n1 ZINC001028268369 1340522964 /nfs/dbraw/zinc/52/29/64/1340522964.db2.gz UHBFAJIHYGFKLE-HNNXBMFYSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2ccccc2n1 ZINC001028279005 1340533314 /nfs/dbraw/zinc/53/33/14/1340533314.db2.gz HPIKVOKHHAIATI-HNNXBMFYSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2ccccc2n1 ZINC001028279005 1340533316 /nfs/dbraw/zinc/53/33/16/1340533316.db2.gz HPIKVOKHHAIATI-HNNXBMFYSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC001028292732 1340543533 /nfs/dbraw/zinc/54/35/33/1340543533.db2.gz VZDWCVGBUOYRCL-GOEBONIOSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC001028292732 1340543536 /nfs/dbraw/zinc/54/35/36/1340543536.db2.gz VZDWCVGBUOYRCL-GOEBONIOSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1c(Cl)cccc1OC ZINC001028332579 1340570413 /nfs/dbraw/zinc/57/04/13/1340570413.db2.gz XWERRCFIBDRDCA-GFCCVEGCSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c(Cl)cccc1OC ZINC001028332579 1340570420 /nfs/dbraw/zinc/57/04/20/1340570420.db2.gz XWERRCFIBDRDCA-GFCCVEGCSA-N 1 2 343.254 3.295 20 30 EGEDLO CC(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029322098 1340971727 /nfs/dbraw/zinc/97/17/27/1340971727.db2.gz DDWKTNMZHVIIIZ-GASCZTMLSA-N 1 2 345.512 3.477 20 30 EGEDLO CC(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029322098 1340971728 /nfs/dbraw/zinc/97/17/28/1340971728.db2.gz DDWKTNMZHVIIIZ-GASCZTMLSA-N 1 2 345.512 3.477 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)ns1 ZINC001029420334 1340986234 /nfs/dbraw/zinc/98/62/34/1340986234.db2.gz YFTWSNTUKDSXMS-GASCZTMLSA-N 1 2 333.501 3.229 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)ns1 ZINC001029420334 1340986235 /nfs/dbraw/zinc/98/62/35/1340986235.db2.gz YFTWSNTUKDSXMS-GASCZTMLSA-N 1 2 333.501 3.229 20 30 EGEDLO C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C#N)s2)C=CCC1 ZINC001029429448 1340988213 /nfs/dbraw/zinc/98/82/13/1340988213.db2.gz XDVLNWRSPQBQPZ-KHYOSLBOSA-N 1 2 341.480 3.151 20 30 EGEDLO C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)s2)C=CCC1 ZINC001029429448 1340988214 /nfs/dbraw/zinc/98/82/14/1340988214.db2.gz XDVLNWRSPQBQPZ-KHYOSLBOSA-N 1 2 341.480 3.151 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001029463182 1340996274 /nfs/dbraw/zinc/99/62/74/1340996274.db2.gz UHXYQLBKERUIIG-GEALJGNFSA-N 1 2 337.467 3.170 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001029463182 1340996276 /nfs/dbraw/zinc/99/62/76/1340996276.db2.gz UHXYQLBKERUIIG-GEALJGNFSA-N 1 2 337.467 3.170 20 30 EGEDLO CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029559759 1341012216 /nfs/dbraw/zinc/01/22/16/1341012216.db2.gz CGVICUOJFYODCN-HDICACEKSA-N 1 2 344.886 3.413 20 30 EGEDLO CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029559759 1341012217 /nfs/dbraw/zinc/01/22/17/1341012217.db2.gz CGVICUOJFYODCN-HDICACEKSA-N 1 2 344.886 3.413 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001030027277 1341160906 /nfs/dbraw/zinc/16/09/06/1341160906.db2.gz CTLKNUAKKUXXQE-ZVDOUQERSA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001030027277 1341160907 /nfs/dbraw/zinc/16/09/07/1341160907.db2.gz CTLKNUAKKUXXQE-ZVDOUQERSA-N 1 2 337.467 3.219 20 30 EGEDLO CC(C)c1ccc([C@H](C)[NH+]2CC(NC(=O)c3ccc(C#N)[nH]3)C2)cc1 ZINC001030225816 1341173158 /nfs/dbraw/zinc/17/31/58/1341173158.db2.gz HSRHWPYFGPWFTN-AWEZNQCLSA-N 1 2 336.439 3.185 20 30 EGEDLO C[C@@H]1C[C@@H]1c1ccc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)o1 ZINC001031664763 1341385246 /nfs/dbraw/zinc/38/52/46/1341385246.db2.gz PUBIOOBSQXSUTG-APWZRJJASA-N 1 2 348.446 3.116 20 30 EGEDLO C=C1CCC(C(=O)NCC2C[NH+](Cc3ccc(F)cc3F)C2)CC1 ZINC001031951175 1341429523 /nfs/dbraw/zinc/42/95/23/1341429523.db2.gz BYVJEMPSKVOVTH-UHFFFAOYSA-N 1 2 334.410 3.259 20 30 EGEDLO CC1(C)CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)C1 ZINC001031961651 1341432679 /nfs/dbraw/zinc/43/26/79/1341432679.db2.gz YRODAMPYCYAFNQ-INIZCTEOSA-N 1 2 343.446 3.072 20 30 EGEDLO CC(C)[C@H]1C[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001032084987 1341450626 /nfs/dbraw/zinc/45/06/26/1341450626.db2.gz QCUYLBXUCIHRPH-RTBURBONSA-N 1 2 344.886 3.032 20 30 EGEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cccc(C2CC2)c1 ZINC001032213161 1341475006 /nfs/dbraw/zinc/47/50/06/1341475006.db2.gz IUQLSZLAEBGMTE-UHFFFAOYSA-N 1 2 344.458 3.277 20 30 EGEDLO C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)CC=CCC1 ZINC001032420507 1341508803 /nfs/dbraw/zinc/50/88/03/1341508803.db2.gz SWPSUCPYZVAKCD-IRFCIJBXSA-N 1 2 335.451 3.090 20 30 EGEDLO C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)CC=CCC1 ZINC001032420507 1341508804 /nfs/dbraw/zinc/50/88/04/1341508804.db2.gz SWPSUCPYZVAKCD-IRFCIJBXSA-N 1 2 335.451 3.090 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2F)CC1 ZINC001032603244 1341554902 /nfs/dbraw/zinc/55/49/02/1341554902.db2.gz SPBMPCFCWRXVNN-ROUUACIJSA-N 1 2 328.431 3.357 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2F)CC1 ZINC001032603244 1341554903 /nfs/dbraw/zinc/55/49/03/1341554903.db2.gz SPBMPCFCWRXVNN-ROUUACIJSA-N 1 2 328.431 3.357 20 30 EGEDLO C=CCn1cccc1C(=O)N(C)[C@@H]1CC[N@H+](CC=C(Cl)Cl)C1 ZINC001033144722 1341738696 /nfs/dbraw/zinc/73/86/96/1341738696.db2.gz AXUBSZBGOMOENO-CYBMUJFWSA-N 1 2 342.270 3.139 20 30 EGEDLO C=CCn1cccc1C(=O)N(C)[C@@H]1CC[N@@H+](CC=C(Cl)Cl)C1 ZINC001033144722 1341738697 /nfs/dbraw/zinc/73/86/97/1341738697.db2.gz AXUBSZBGOMOENO-CYBMUJFWSA-N 1 2 342.270 3.139 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2coc3cc(F)ccc23)C1 ZINC001033203869 1341751815 /nfs/dbraw/zinc/75/18/15/1341751815.db2.gz PMZNJJFVHSVFNG-ZDUSSCGKSA-N 1 2 336.794 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2coc3cc(F)ccc23)C1 ZINC001033203869 1341751816 /nfs/dbraw/zinc/75/18/16/1341751816.db2.gz PMZNJJFVHSVFNG-ZDUSSCGKSA-N 1 2 336.794 3.471 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2cn(C)c3ccccc23)C1 ZINC001033374856 1341802069 /nfs/dbraw/zinc/80/20/69/1341802069.db2.gz ZUPAELRMXNZGKS-MRXNPFEDSA-N 1 2 345.874 3.006 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cn(C)c3ccccc23)C1 ZINC001033374856 1341802072 /nfs/dbraw/zinc/80/20/72/1341802072.db2.gz ZUPAELRMXNZGKS-MRXNPFEDSA-N 1 2 345.874 3.006 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C2CCC(=C)CC2)C1 ZINC001033388860 1341808349 /nfs/dbraw/zinc/80/83/49/1341808349.db2.gz FZFMLOJAPJFESE-HNNXBMFYSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C2CCC(=C)CC2)C1 ZINC001033388860 1341808350 /nfs/dbraw/zinc/80/83/50/1341808350.db2.gz FZFMLOJAPJFESE-HNNXBMFYSA-N 1 2 341.293 3.174 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033401061 1341814333 /nfs/dbraw/zinc/81/43/33/1341814333.db2.gz FRUISKXGEDCHDL-MDASCCDHSA-N 1 2 343.446 3.166 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033401061 1341814334 /nfs/dbraw/zinc/81/43/34/1341814334.db2.gz FRUISKXGEDCHDL-MDASCCDHSA-N 1 2 343.446 3.166 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cn2cc(C)c3ccccc32)C1 ZINC001033488860 1341844421 /nfs/dbraw/zinc/84/44/21/1341844421.db2.gz BGISXPOFSAMKAV-INIZCTEOSA-N 1 2 345.874 3.235 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc(C)c3ccccc32)C1 ZINC001033488860 1341844423 /nfs/dbraw/zinc/84/44/23/1341844423.db2.gz BGISXPOFSAMKAV-INIZCTEOSA-N 1 2 345.874 3.235 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccnc(C3CCCC3)n2)C1 ZINC001033537065 1341862439 /nfs/dbraw/zinc/86/24/39/1341862439.db2.gz PEBBVPNVNLCIJG-HNNXBMFYSA-N 1 2 348.878 3.033 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccnc(C3CCCC3)n2)C1 ZINC001033537065 1341862442 /nfs/dbraw/zinc/86/24/42/1341862442.db2.gz PEBBVPNVNLCIJG-HNNXBMFYSA-N 1 2 348.878 3.033 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001033580682 1341882056 /nfs/dbraw/zinc/88/20/56/1341882056.db2.gz GZWYCZBRWHLRGC-ZIAGYGMSSA-N 1 2 326.893 3.445 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001033580682 1341882057 /nfs/dbraw/zinc/88/20/57/1341882057.db2.gz GZWYCZBRWHLRGC-ZIAGYGMSSA-N 1 2 326.893 3.445 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH]c3cccc(C)c23)C1 ZINC001033597710 1341889869 /nfs/dbraw/zinc/88/98/69/1341889869.db2.gz UTJLYNBHIXXDNU-MRXNPFEDSA-N 1 2 345.874 3.304 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH]c3cccc(C)c23)C1 ZINC001033597710 1341889870 /nfs/dbraw/zinc/88/98/70/1341889870.db2.gz UTJLYNBHIXXDNU-MRXNPFEDSA-N 1 2 345.874 3.304 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2CCC(C(F)F)CC2)C1 ZINC001033625913 1341909282 /nfs/dbraw/zinc/90/92/82/1341909282.db2.gz YQOMOXIHWLAOAB-JXQTWKCFSA-N 1 2 334.838 3.343 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CCC(C(F)F)CC2)C1 ZINC001033625913 1341909285 /nfs/dbraw/zinc/90/92/85/1341909285.db2.gz YQOMOXIHWLAOAB-JXQTWKCFSA-N 1 2 334.838 3.343 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001033628797 1341909874 /nfs/dbraw/zinc/90/98/74/1341909874.db2.gz LZSXVDLAYCTPNH-GOEBONIOSA-N 1 2 339.266 3.265 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001033628797 1341909876 /nfs/dbraw/zinc/90/98/76/1341909876.db2.gz LZSXVDLAYCTPNH-GOEBONIOSA-N 1 2 339.266 3.265 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2CC(c3ccccc3)C2)C1 ZINC001033703087 1341968018 /nfs/dbraw/zinc/96/80/18/1341968018.db2.gz XXZCGVACVSLPSJ-ABHNRTSZSA-N 1 2 332.875 3.465 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2CC(c3ccccc3)C2)C1 ZINC001033703087 1341968019 /nfs/dbraw/zinc/96/80/19/1341968019.db2.gz XXZCGVACVSLPSJ-ABHNRTSZSA-N 1 2 332.875 3.465 20 30 EGEDLO CCN(C(=O)[C@@H]1CC1(C)C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033800645 1342017456 /nfs/dbraw/zinc/01/74/56/1342017456.db2.gz XJTPTVBRACZJBQ-MSOLQXFVSA-N 1 2 343.446 3.166 20 30 EGEDLO CCN(C(=O)[C@@H]1CC1(C)C)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033800645 1342017459 /nfs/dbraw/zinc/01/74/59/1342017459.db2.gz XJTPTVBRACZJBQ-MSOLQXFVSA-N 1 2 343.446 3.166 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc(F)ccc2F)C1 ZINC001033858088 1342047702 /nfs/dbraw/zinc/04/77/02/1342047702.db2.gz FCPRKFRQLNLEFH-ZDUSSCGKSA-N 1 2 328.790 3.254 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(F)ccc2F)C1 ZINC001033858088 1342047704 /nfs/dbraw/zinc/04/77/04/1342047704.db2.gz FCPRKFRQLNLEFH-ZDUSSCGKSA-N 1 2 328.790 3.254 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCc3cccnc32)C1 ZINC001033932482 1342096350 /nfs/dbraw/zinc/09/63/50/1342096350.db2.gz OTQLVGOYTJYNHM-DLBZAZTESA-N 1 2 347.890 3.177 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCc3cccnc32)C1 ZINC001033932482 1342096353 /nfs/dbraw/zinc/09/63/53/1342096353.db2.gz OTQLVGOYTJYNHM-DLBZAZTESA-N 1 2 347.890 3.177 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(OC)cc2C)C1 ZINC001033937303 1342100154 /nfs/dbraw/zinc/10/01/54/1342100154.db2.gz YIBIYTFHSVEFSZ-OAHLLOKOSA-N 1 2 336.863 3.293 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(OC)cc2C)C1 ZINC001033937303 1342100155 /nfs/dbraw/zinc/10/01/55/1342100155.db2.gz YIBIYTFHSVEFSZ-OAHLLOKOSA-N 1 2 336.863 3.293 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001033981839 1342129049 /nfs/dbraw/zinc/12/90/49/1342129049.db2.gz LLMQNBFLBZJVNN-KURKYZTESA-N 1 2 332.875 3.465 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001033981839 1342129051 /nfs/dbraw/zinc/12/90/51/1342129051.db2.gz LLMQNBFLBZJVNN-KURKYZTESA-N 1 2 332.875 3.465 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001034013184 1342150116 /nfs/dbraw/zinc/15/01/16/1342150116.db2.gz LLMQNBFLBZJVNN-FGTMMUONSA-N 1 2 332.875 3.465 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001034013184 1342150118 /nfs/dbraw/zinc/15/01/18/1342150118.db2.gz LLMQNBFLBZJVNN-FGTMMUONSA-N 1 2 332.875 3.465 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2nc(C(C)C)oc2C)C1 ZINC001034211386 1342320905 /nfs/dbraw/zinc/32/09/05/1342320905.db2.gz QANQLLFGCUZCQT-AWEZNQCLSA-N 1 2 339.867 3.443 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2nc(C(C)C)oc2C)C1 ZINC001034211386 1342320908 /nfs/dbraw/zinc/32/09/08/1342320908.db2.gz QANQLLFGCUZCQT-AWEZNQCLSA-N 1 2 339.867 3.443 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccnc(CCC)c2)C1 ZINC001034254087 1342348861 /nfs/dbraw/zinc/34/88/61/1342348861.db2.gz PDJRSMSQOALRRL-QGZVFWFLSA-N 1 2 335.879 3.371 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccnc(CCC)c2)C1 ZINC001034254087 1342348865 /nfs/dbraw/zinc/34/88/65/1342348865.db2.gz PDJRSMSQOALRRL-QGZVFWFLSA-N 1 2 335.879 3.371 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cc(OC)cs2)C1 ZINC001034343202 1342415102 /nfs/dbraw/zinc/41/51/02/1342415102.db2.gz XHTSWVHVEGHGGL-LBPRGKRZSA-N 1 2 328.865 3.094 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cc(OC)cs2)C1 ZINC001034343202 1342415098 /nfs/dbraw/zinc/41/50/98/1342415098.db2.gz XHTSWVHVEGHGGL-LBPRGKRZSA-N 1 2 328.865 3.094 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2oc(C(C)C)nc2C)C1 ZINC001034432732 1342495601 /nfs/dbraw/zinc/49/56/01/1342495601.db2.gz JJGSPGJJCFYVLK-AWEZNQCLSA-N 1 2 339.867 3.443 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2oc(C(C)C)nc2C)C1 ZINC001034432732 1342495604 /nfs/dbraw/zinc/49/56/04/1342495604.db2.gz JJGSPGJJCFYVLK-AWEZNQCLSA-N 1 2 339.867 3.443 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2oc(C3CC3)nc2C)C1 ZINC001034432999 1342495687 /nfs/dbraw/zinc/49/56/87/1342495687.db2.gz MBQASRQCEZOZHV-CQSZACIVSA-N 1 2 337.851 3.197 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2oc(C3CC3)nc2C)C1 ZINC001034432999 1342495689 /nfs/dbraw/zinc/49/56/89/1342495689.db2.gz MBQASRQCEZOZHV-CQSZACIVSA-N 1 2 337.851 3.197 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccccc2OCC)C1 ZINC001034513421 1342571801 /nfs/dbraw/zinc/57/18/01/1342571801.db2.gz YYTKAUWFEPYGDR-HNNXBMFYSA-N 1 2 336.863 3.422 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2OCC)C1 ZINC001034513421 1342571806 /nfs/dbraw/zinc/57/18/06/1342571806.db2.gz YYTKAUWFEPYGDR-HNNXBMFYSA-N 1 2 336.863 3.422 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(Cl)ccc2Cl)C1 ZINC001035584932 1343094900 /nfs/dbraw/zinc/09/49/00/1343094900.db2.gz ZOVFBKKJOVNRMQ-CYBMUJFWSA-N 1 2 343.254 3.000 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(Cl)ccc2Cl)C1 ZINC001035584932 1343094907 /nfs/dbraw/zinc/09/49/07/1343094907.db2.gz ZOVFBKKJOVNRMQ-CYBMUJFWSA-N 1 2 343.254 3.000 20 30 EGEDLO CC[C@H](C)C(=O)N1CCC2(C[NH+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001035654037 1343123871 /nfs/dbraw/zinc/12/38/71/1343123871.db2.gz HJLTYKYLGGTCRW-HNNXBMFYSA-N 1 2 343.446 3.168 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccnc(CCC)c1)CC2 ZINC001035727060 1343155345 /nfs/dbraw/zinc/15/53/45/1343155345.db2.gz AGQDMAFALVRZSV-UHFFFAOYSA-N 1 2 347.890 3.325 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1c(C)cc(C)nc1C)CC2 ZINC001035752882 1343171115 /nfs/dbraw/zinc/17/11/15/1343171115.db2.gz ICKVMXBXYUYKMJ-UHFFFAOYSA-N 1 2 347.890 3.297 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)C2CCC3(CC3)CC2)s1 ZINC001038526210 1344467633 /nfs/dbraw/zinc/46/76/33/1344467633.db2.gz HCJLQTJDPBQQIQ-HNNXBMFYSA-N 1 2 343.496 3.281 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)C2CCC3(CC3)CC2)s1 ZINC001038526210 1344467637 /nfs/dbraw/zinc/46/76/37/1344467637.db2.gz HCJLQTJDPBQQIQ-HNNXBMFYSA-N 1 2 343.496 3.281 20 30 EGEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001038542243 1344475365 /nfs/dbraw/zinc/47/53/65/1344475365.db2.gz ZOPUVLHQHPOOLL-JSXRDJHFSA-N 1 2 336.479 3.055 20 30 EGEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001038542243 1344475368 /nfs/dbraw/zinc/47/53/68/1344475368.db2.gz ZOPUVLHQHPOOLL-JSXRDJHFSA-N 1 2 336.479 3.055 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001039324546 1345014390 /nfs/dbraw/zinc/01/43/90/1345014390.db2.gz NIMAIKBJPPZJBH-CVEARBPZSA-N 1 2 349.272 3.274 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001039324546 1345014394 /nfs/dbraw/zinc/01/43/94/1345014394.db2.gz NIMAIKBJPPZJBH-CVEARBPZSA-N 1 2 349.272 3.274 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)c(C)n1 ZINC001039406314 1345051255 /nfs/dbraw/zinc/05/12/55/1345051255.db2.gz OVLXFIPKFWGTKS-CVEARBPZSA-N 1 2 333.863 3.130 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)c(C)n1 ZINC001039406314 1345051257 /nfs/dbraw/zinc/05/12/57/1345051257.db2.gz OVLXFIPKFWGTKS-CVEARBPZSA-N 1 2 333.863 3.130 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1Cc2ccccc2C1 ZINC001039442443 1345069142 /nfs/dbraw/zinc/06/91/42/1345069142.db2.gz HJELQSPXLZACFI-MOPGFXCFSA-N 1 2 344.886 3.219 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1Cc2ccccc2C1 ZINC001039442443 1345069146 /nfs/dbraw/zinc/06/91/46/1345069146.db2.gz HJELQSPXLZACFI-MOPGFXCFSA-N 1 2 344.886 3.219 20 30 EGEDLO CC1CC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cccc(C#N)c2)C1 ZINC001039541715 1345137020 /nfs/dbraw/zinc/13/70/20/1345137020.db2.gz DJOOROAOKOUMHS-ZPEMIIMYSA-N 1 2 337.467 3.170 20 30 EGEDLO CC1CC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cccc(C#N)c2)C1 ZINC001039541715 1345137021 /nfs/dbraw/zinc/13/70/21/1345137021.db2.gz DJOOROAOKOUMHS-ZPEMIIMYSA-N 1 2 337.467 3.170 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C=C2CCCCC2)C1 ZINC001079459049 1357265710 /nfs/dbraw/zinc/26/57/10/1357265710.db2.gz ABWAYEYHPMTTFF-IUODEOHRSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C=C2CCCCC2)C1 ZINC001079459049 1357265712 /nfs/dbraw/zinc/26/57/12/1357265712.db2.gz ABWAYEYHPMTTFF-IUODEOHRSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(C)CC[NH+]1CC(N(C)C(=O)c2cnc(-c3ccco3)s2)C1 ZINC001044213631 1346274517 /nfs/dbraw/zinc/27/45/17/1346274517.db2.gz HZFZALHCAMAXHE-UHFFFAOYSA-N 1 2 331.441 3.126 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[NH2+]Cc1nc(C2CCC2)no1 ZINC001045149155 1346506335 /nfs/dbraw/zinc/50/63/35/1346506335.db2.gz UAFZQYLMPDODQO-HNNXBMFYSA-N 1 2 346.475 3.020 20 30 EGEDLO CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1C#N ZINC001045881894 1346730978 /nfs/dbraw/zinc/73/09/78/1346730978.db2.gz OATDVTABQQKGGG-MSOLQXFVSA-N 1 2 343.446 3.309 20 30 EGEDLO CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1C#N ZINC001045881894 1346730980 /nfs/dbraw/zinc/73/09/80/1346730980.db2.gz OATDVTABQQKGGG-MSOLQXFVSA-N 1 2 343.446 3.309 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc3oc(C)nc3c2)C1 ZINC001046411395 1346965131 /nfs/dbraw/zinc/96/51/31/1346965131.db2.gz VJWVXCJEQPPSKF-QGZVFWFLSA-N 1 2 333.819 3.083 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3oc(C)nc3c2)C1 ZINC001046411395 1346965133 /nfs/dbraw/zinc/96/51/33/1346965133.db2.gz VJWVXCJEQPPSKF-QGZVFWFLSA-N 1 2 333.819 3.083 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(C)n([C@H](C)CC)n2)C1 ZINC001046432940 1346974400 /nfs/dbraw/zinc/97/44/00/1346974400.db2.gz SAYMWCLHTYTEMA-DYVFJYSZSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(C)n([C@H](C)CC)n2)C1 ZINC001046432940 1346974403 /nfs/dbraw/zinc/97/44/03/1346974403.db2.gz SAYMWCLHTYTEMA-DYVFJYSZSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(F)c(F)c2F)C1 ZINC001046585689 1347026905 /nfs/dbraw/zinc/02/69/05/1347026905.db2.gz IIIJSGDHHFKUQD-HNNXBMFYSA-N 1 2 332.753 3.051 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(F)c(F)c2F)C1 ZINC001046585689 1347026906 /nfs/dbraw/zinc/02/69/06/1347026906.db2.gz IIIJSGDHHFKUQD-HNNXBMFYSA-N 1 2 332.753 3.051 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001046688202 1347062647 /nfs/dbraw/zinc/06/26/47/1347062647.db2.gz OFACKHQQRWNWBL-SCTDSRPQSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001046688202 1347062650 /nfs/dbraw/zinc/06/26/50/1347062650.db2.gz OFACKHQQRWNWBL-SCTDSRPQSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC23CCC3)C1 ZINC001046979721 1347175031 /nfs/dbraw/zinc/17/50/31/1347175031.db2.gz FMEYFDMHOANFHL-QWHCGFSZSA-N 1 2 332.822 3.003 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC23CCC3)C1 ZINC001046979721 1347175032 /nfs/dbraw/zinc/17/50/32/1347175032.db2.gz FMEYFDMHOANFHL-QWHCGFSZSA-N 1 2 332.822 3.003 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C)CCC1 ZINC001049643819 1347951344 /nfs/dbraw/zinc/95/13/44/1347951344.db2.gz GMKHHLNOZFBRSQ-KBPBESRZSA-N 1 2 341.293 3.151 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C)CCC1 ZINC001049643819 1347951345 /nfs/dbraw/zinc/95/13/45/1347951345.db2.gz GMKHHLNOZFBRSQ-KBPBESRZSA-N 1 2 341.293 3.151 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]3C[N@H+](Cc4cscn4)C[C@H]32)CC1 ZINC001050132074 1348192031 /nfs/dbraw/zinc/19/20/31/1348192031.db2.gz FLUFCADHOJVPHP-FUHWJXTLSA-N 1 2 345.512 3.312 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]3C[N@@H+](Cc4cscn4)C[C@H]32)CC1 ZINC001050132074 1348192034 /nfs/dbraw/zinc/19/20/34/1348192034.db2.gz FLUFCADHOJVPHP-FUHWJXTLSA-N 1 2 345.512 3.312 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](CC=C(Cl)Cl)C[C@H]1C ZINC001079855706 1357402494 /nfs/dbraw/zinc/40/24/94/1357402494.db2.gz MVJIXWUZVAOCJJ-CHWSQXEVSA-N 1 2 342.270 3.043 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](CC=C(Cl)Cl)C[C@H]1C ZINC001079855706 1357402496 /nfs/dbraw/zinc/40/24/96/1357402496.db2.gz MVJIXWUZVAOCJJ-CHWSQXEVSA-N 1 2 342.270 3.043 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)c3ccccn3)cccc2C1 ZINC001051277754 1348414601 /nfs/dbraw/zinc/41/46/01/1348414601.db2.gz VWHRVSGGMLUCQR-UHFFFAOYSA-N 1 2 341.842 3.122 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)c3ccccn3)cccc2C1 ZINC001051277754 1348414602 /nfs/dbraw/zinc/41/46/02/1348414602.db2.gz VWHRVSGGMLUCQR-UHFFFAOYSA-N 1 2 341.842 3.122 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCC=CCCC1)O2 ZINC001053614270 1349078204 /nfs/dbraw/zinc/07/82/04/1349078204.db2.gz IBYMJNISHSQHKM-ROUUACIJSA-N 1 2 332.488 3.049 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc3ccccc3s1)CO2 ZINC001053860068 1349118536 /nfs/dbraw/zinc/11/85/36/1349118536.db2.gz UFPPQGDMSGLVDZ-OAHLLOKOSA-N 1 2 342.464 3.051 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc3cscc3s1)CO2 ZINC001053873208 1349120419 /nfs/dbraw/zinc/12/04/19/1349120419.db2.gz UKXZNUJNJGEJMA-CYBMUJFWSA-N 1 2 348.493 3.112 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccccc1C1CCC1)CO2 ZINC001053995613 1349129454 /nfs/dbraw/zinc/12/94/54/1349129454.db2.gz BHYCEBBSQUXHIG-KRWDZBQOSA-N 1 2 340.467 3.103 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C1CCC(C(C)(C)C)CC1)CO2 ZINC001053999752 1349129988 /nfs/dbraw/zinc/12/99/88/1349129988.db2.gz MTYMVEUHBKEEDC-DAWZGUTISA-N 1 2 348.531 3.375 20 30 EGEDLO C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C)cs1 ZINC001054040308 1349135875 /nfs/dbraw/zinc/13/58/75/1349135875.db2.gz SPRCYSGWGDBNHW-QGZVFWFLSA-N 1 2 326.465 3.399 20 30 EGEDLO C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C)cs1 ZINC001054040308 1349135877 /nfs/dbraw/zinc/13/58/77/1349135877.db2.gz SPRCYSGWGDBNHW-QGZVFWFLSA-N 1 2 326.465 3.399 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3[C@H](C=C(C)C)C3(C)C)cc2C1 ZINC001054273419 1349273079 /nfs/dbraw/zinc/27/30/79/1349273079.db2.gz JLESMOZZBBFMLX-VQTJNVASSA-N 1 2 336.479 3.490 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3[C@H](C=C(C)C)C3(C)C)cc2C1 ZINC001054273419 1349273081 /nfs/dbraw/zinc/27/30/81/1349273081.db2.gz JLESMOZZBBFMLX-VQTJNVASSA-N 1 2 336.479 3.490 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3c(F)ccc(C)c3F)cc2C1 ZINC001054278777 1349280274 /nfs/dbraw/zinc/28/02/74/1349280274.db2.gz NPESGTHMNLDYNQ-UHFFFAOYSA-N 1 2 340.373 3.152 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3c(F)ccc(C)c3F)cc2C1 ZINC001054278777 1349280276 /nfs/dbraw/zinc/28/02/76/1349280276.db2.gz NPESGTHMNLDYNQ-UHFFFAOYSA-N 1 2 340.373 3.152 20 30 EGEDLO CC(C)c1cc(N[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)nc(C(C)C)[nH+]1 ZINC001057594554 1350085363 /nfs/dbraw/zinc/08/53/63/1350085363.db2.gz SXHLDOQMMBTOGD-GJZGRUSLSA-N 1 2 343.475 3.286 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001061244911 1351327260 /nfs/dbraw/zinc/32/72/60/1351327260.db2.gz RWHAXKOHMUWDTQ-INIZCTEOSA-N 1 2 330.476 3.041 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(CC)[nH+]c(C)n1 ZINC001062022626 1351427455 /nfs/dbraw/zinc/42/74/55/1351427455.db2.gz YLZBFKRWAQBKLA-QKLQHJQFSA-N 1 2 342.487 3.129 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001080378565 1357593989 /nfs/dbraw/zinc/59/39/89/1357593989.db2.gz NMHNSRLESRETBW-IAQYHMDHSA-N 1 2 327.255 3.451 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001080378565 1357593992 /nfs/dbraw/zinc/59/39/92/1357593992.db2.gz NMHNSRLESRETBW-IAQYHMDHSA-N 1 2 327.255 3.451 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3ccnc(Cl)c3)C[C@H]2C)C1 ZINC001080404516 1357608591 /nfs/dbraw/zinc/60/85/91/1357608591.db2.gz LKUOQGYELFHOAS-UKRRQHHQSA-N 1 2 333.863 3.028 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3ccnc(Cl)c3)C[C@H]2C)C1 ZINC001080404516 1357608596 /nfs/dbraw/zinc/60/85/96/1357608596.db2.gz LKUOQGYELFHOAS-UKRRQHHQSA-N 1 2 333.863 3.028 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@H]2C1 ZINC001066047084 1352952947 /nfs/dbraw/zinc/95/29/47/1352952947.db2.gz JGIAXFUMMSIANM-IYBDPMFKSA-N 1 2 342.487 3.015 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC(CN(CC)c2cc[nH+]c(C)n2)CC1 ZINC001067636323 1353475785 /nfs/dbraw/zinc/47/57/85/1353475785.db2.gz MXSQMGSRUJNFQJ-UHFFFAOYSA-N 1 2 330.476 3.062 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc(C)c3ccccc32)C1 ZINC001080599125 1357693002 /nfs/dbraw/zinc/69/30/02/1357693002.db2.gz QTVZZOPPOZBWMJ-RHSMWYFYSA-N 1 2 345.874 3.139 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc(C)c3ccccc32)C1 ZINC001080599125 1357693008 /nfs/dbraw/zinc/69/30/08/1357693008.db2.gz QTVZZOPPOZBWMJ-RHSMWYFYSA-N 1 2 345.874 3.139 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cccc(C)c1)C[C@@H](C)O2 ZINC001071121327 1354463459 /nfs/dbraw/zinc/46/34/59/1354463459.db2.gz AOTHQTNXCNQOPF-VQIMIIECSA-N 1 2 348.874 3.053 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cccc(C)c1)C[C@@H](C)O2 ZINC001071121327 1354463461 /nfs/dbraw/zinc/46/34/61/1354463461.db2.gz AOTHQTNXCNQOPF-VQIMIIECSA-N 1 2 348.874 3.053 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)CC1CCCC1)C[C@@H](C)O2 ZINC001071127383 1354467533 /nfs/dbraw/zinc/46/75/33/1354467533.db2.gz NEOMOZJBLHBSAG-QAPCUYQASA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CC1CCCC1)C[C@@H](C)O2 ZINC001071127383 1354467536 /nfs/dbraw/zinc/46/75/36/1354467536.db2.gz NEOMOZJBLHBSAG-QAPCUYQASA-N 1 2 340.895 3.011 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)CC2CC2)C[N@@H+]1CC#Cc1ccccc1Cl ZINC001071308356 1354565777 /nfs/dbraw/zinc/56/57/77/1354565777.db2.gz SNBZFLONWYLYSK-MAUKXSAKSA-N 1 2 344.886 3.461 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)CC2CC2)C[N@H+]1CC#Cc1ccccc1Cl ZINC001071308356 1354565780 /nfs/dbraw/zinc/56/57/80/1354565780.db2.gz SNBZFLONWYLYSK-MAUKXSAKSA-N 1 2 344.886 3.461 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)C2CCCCC2)CC[C@@H]1C ZINC001071312079 1354570642 /nfs/dbraw/zinc/57/06/42/1354570642.db2.gz GJCITIHNDWDJSN-DZGCQCFKSA-N 1 2 343.309 3.444 20 30 EGEDLO 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C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)C2CCC2)[C@H]1CC ZINC001087619826 1359557890 /nfs/dbraw/zinc/55/78/90/1359557890.db2.gz GWWFJKCFGWLPKK-AEGPPILISA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C2CCC2)[C@H]1CC ZINC001087619826 1359557893 /nfs/dbraw/zinc/55/78/93/1359557893.db2.gz GWWFJKCFGWLPKK-AEGPPILISA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccnc2C(F)F)[C@H]1CC ZINC001087652568 1359572348 /nfs/dbraw/zinc/57/23/48/1359572348.db2.gz ZPFVANPLGVCAAI-QWHCGFSZSA-N 1 2 343.805 3.354 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccnc2C(F)F)[C@H]1CC ZINC001087652568 1359572350 /nfs/dbraw/zinc/57/23/50/1359572350.db2.gz ZPFVANPLGVCAAI-QWHCGFSZSA-N 1 2 343.805 3.354 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2cccs2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088453519 1359919170 /nfs/dbraw/zinc/91/91/70/1359919170.db2.gz RDWANBCUFYNYGR-WBMJQRKESA-N 1 2 343.427 3.152 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2cccs2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088453519 1359919173 /nfs/dbraw/zinc/91/91/73/1359919173.db2.gz RDWANBCUFYNYGR-WBMJQRKESA-N 1 2 343.427 3.152 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C=C2CCC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088518580 1359954671 /nfs/dbraw/zinc/95/46/71/1359954671.db2.gz MVOFINFPWAKHAV-BEFAXECRSA-N 1 2 342.870 3.381 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C=C2CCC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088518580 1359954715 /nfs/dbraw/zinc/95/47/15/1359954715.db2.gz MVOFINFPWAKHAV-BEFAXECRSA-N 1 2 342.870 3.381 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3scnc3c2)[C@H]1C ZINC001088953408 1360112815 /nfs/dbraw/zinc/11/28/15/1360112815.db2.gz RJOGLAAAPIMYOA-YPMHNXCESA-N 1 2 335.860 3.241 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3scnc3c2)[C@H]1C ZINC001088953408 1360112819 /nfs/dbraw/zinc/11/28/19/1360112819.db2.gz RJOGLAAAPIMYOA-YPMHNXCESA-N 1 2 335.860 3.241 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(F)cc2Cl)[C@H]1C ZINC001089018652 1360138530 /nfs/dbraw/zinc/13/85/30/1360138530.db2.gz UJYWSEXSXWGDQQ-YGRLFVJLSA-N 1 2 331.218 3.424 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)cc2Cl)[C@H]1C ZINC001089018652 1360138534 /nfs/dbraw/zinc/13/85/34/1360138534.db2.gz UJYWSEXSXWGDQQ-YGRLFVJLSA-N 1 2 331.218 3.424 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089151472 1360207086 /nfs/dbraw/zinc/20/70/86/1360207086.db2.gz ZIZNVTVWAYLFEE-SUMWQHHRSA-N 1 2 330.476 3.232 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089158916 1360214133 /nfs/dbraw/zinc/21/41/33/1360214133.db2.gz JZRPQNFCUBYIMC-BLLLJJGKSA-N 1 2 330.476 3.088 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)N(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001089159832 1360215813 /nfs/dbraw/zinc/21/58/13/1360215813.db2.gz WGWLWDCHCJMKHS-HOCLYGCPSA-N 1 2 342.487 3.348 20 30 EGEDLO C=CCCOCC(=O)N[C@H](C)C[C@@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001089341963 1360354807 /nfs/dbraw/zinc/35/48/07/1360354807.db2.gz JECSFLHUUVJQJQ-HUUCEWRRSA-N 1 2 348.491 3.196 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cnoc1CC 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MYWYPVJCDWDVAQ-HZPDHXFCSA-N 1 2 328.460 3.468 20 30 EGEDLO Cc1nc(N[C@@H]2CCCC[C@H]2NC(=O)CC#Cc2ccccc2)cc[nH+]1 ZINC001091262047 1361025273 /nfs/dbraw/zinc/02/52/73/1361025273.db2.gz CRBOPHRGVQHMFT-RTBURBONSA-N 1 2 348.450 3.066 20 30 EGEDLO C#CCCCCC(=O)NC[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001091340326 1361051332 /nfs/dbraw/zinc/05/13/32/1361051332.db2.gz NPEQVXOEPUUCOD-CALCHBBNSA-N 1 2 342.487 3.409 20 30 EGEDLO C#CCCCC(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001091454613 1361104037 /nfs/dbraw/zinc/10/40/37/1361104037.db2.gz RFMOVEMKCYGVKE-WKILWMFISA-N 1 2 328.460 3.019 20 30 EGEDLO C=CCOCCCC(=O)N(C)CCCCCCNc1cc[nH+]c(C)n1 ZINC001091731719 1361197143 /nfs/dbraw/zinc/19/71/43/1361197143.db2.gz BOEPPFNVFPAUNA-UHFFFAOYSA-N 1 2 348.491 3.199 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)[C@@H]1CC ZINC001091768983 1361215161 /nfs/dbraw/zinc/21/51/61/1361215161.db2.gz CVIFVMQXAKDEQT-JKSUJKDBSA-N 1 2 330.476 3.348 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001092021173 1361275353 /nfs/dbraw/zinc/27/53/53/1361275353.db2.gz FXFMUUSZHDSORG-ZBFHGGJFSA-N 1 2 328.460 3.102 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001092042724 1361280525 /nfs/dbraw/zinc/28/05/25/1361280525.db2.gz FTFXWEAKBLEYMD-ZBFHGGJFSA-N 1 2 342.487 3.348 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001092904251 1361482772 /nfs/dbraw/zinc/48/27/72/1361482772.db2.gz AKNJVMZXNVJWST-NBMRYCAZSA-N 1 2 342.487 3.176 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(CNc2cc[nH+]c(C)n2)C1 ZINC001093127477 1361535539 /nfs/dbraw/zinc/53/55/39/1361535539.db2.gz PBMYJZAYNQOSCX-KNBMTAEXSA-N 1 2 342.487 3.428 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H]2CCC[C@]2(CNc2cc[nH+]c(C)n2)C1 ZINC001093128697 1361536407 /nfs/dbraw/zinc/53/64/07/1361536407.db2.gz QZCMNWYMILNUIU-ZWOKBUDYSA-N 1 2 342.487 3.428 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3CCCC[C@H]3C3CC3)CC2)C1 ZINC001093553964 1361641071 /nfs/dbraw/zinc/64/10/71/1361641071.db2.gz ZPDFREARBLACOL-PMACEKPBSA-N 1 2 346.515 3.081 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3ccc(Cl)c(C)c3)CC2)C1 ZINC001093568710 1361645181 /nfs/dbraw/zinc/64/51/81/1361645181.db2.gz ORPSMYDSNDCLNG-UHFFFAOYSA-N 1 2 348.874 3.140 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C3[C@@H]4CCCCCC[C@@H]34)CC2)C1 ZINC001093578295 1361647775 /nfs/dbraw/zinc/64/77/75/1361647775.db2.gz YSQXIYGGEOYPFS-RTBURBONSA-N 1 2 346.515 3.081 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@]3(C)CC=C(C)CC3)CC2)C1 ZINC001093598376 1361652962 /nfs/dbraw/zinc/65/29/62/1361652962.db2.gz KQEGNPMSBQWCDJ-FQEVSTJZSA-N 1 2 332.488 3.001 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C3(C)C(C)(C)C3(C)C)CC2)C1 ZINC001093600631 1361654892 /nfs/dbraw/zinc/65/48/92/1361654892.db2.gz LTZOSGVDLBKOJC-UHFFFAOYSA-N 1 2 348.531 3.327 20 30 EGEDLO C=C[C@@H](C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1)c1ccccc1 ZINC001093664959 1361670444 /nfs/dbraw/zinc/67/04/44/1361670444.db2.gz RILGDNMZSAXAKB-QGZVFWFLSA-N 1 2 338.455 3.406 20 30 EGEDLO C=CC[C@@H](Cc1ccccc1)C(=O)NCCCNc1cc[nH+]c(C)n1 ZINC001094456607 1361808116 /nfs/dbraw/zinc/80/81/16/1361808116.db2.gz KQRKUDNBQKBCBC-SFHVURJKSA-N 1 2 338.455 3.138 20 30 EGEDLO C=CCCC1(C(=O)NCCCNc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001094755783 1361906523 /nfs/dbraw/zinc/90/65/23/1361906523.db2.gz FXAUWEXDCYYBSX-UHFFFAOYSA-N 1 2 342.487 3.328 20 30 EGEDLO Cc1cc(NCCCCCCNC(=O)C#CC2CC2)nc(C2CC2)[nH+]1 ZINC001094952234 1361959079 /nfs/dbraw/zinc/95/90/79/1361959079.db2.gz QEPMKRJXEOIKSP-UHFFFAOYSA-N 1 2 340.471 3.164 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001095141834 1362029857 /nfs/dbraw/zinc/02/98/57/1362029857.db2.gz WTTQTCCWTKROLX-SFHVURJKSA-N 1 2 342.487 3.207 20 30 EGEDLO C#CCCCC(=O)NCCCN(C)c1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001095542769 1362164772 /nfs/dbraw/zinc/16/47/72/1362164772.db2.gz AMCKCWKPVOCGMA-UHFFFAOYSA-N 1 2 344.503 3.469 20 30 EGEDLO C=CCC1(C(=O)NCCCN(C)c2cc[nH+]c(C)n2)CCCCC1 ZINC001095570100 1362172107 /nfs/dbraw/zinc/17/21/07/1362172107.db2.gz SHTZZAMPVQUCSF-UHFFFAOYSA-N 1 2 330.476 3.254 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCCN(CC)c1nc(C)[nH+]c(C)c1C ZINC001095947765 1362300605 /nfs/dbraw/zinc/30/06/05/1362300605.db2.gz ZVUDONVMTKAUGQ-KGLIPLIRSA-N 1 2 332.492 3.193 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]13C[C@@H]1CCCC3)C2 ZINC001095984237 1362322917 /nfs/dbraw/zinc/32/29/17/1362322917.db2.gz FZRKQSVBMDORLE-XCRACJGTSA-N 1 2 349.478 3.360 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]13C[C@@H]1CCCC3)C2 ZINC001095984237 1362322921 /nfs/dbraw/zinc/32/29/21/1362322921.db2.gz FZRKQSVBMDORLE-XCRACJGTSA-N 1 2 349.478 3.360 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N(C)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001096124052 1362394857 /nfs/dbraw/zinc/39/48/57/1362394857.db2.gz UPFGQMNEMSGRGQ-KRWDZBQOSA-N 1 2 344.503 3.431 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)CCCC1 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/nfs/dbraw/zinc/80/05/81/1362800581.db2.gz QAGUDYLRBKJXBH-CJNGLKHVSA-N 1 2 328.460 3.278 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097338599 1362941011 /nfs/dbraw/zinc/94/10/11/1362941011.db2.gz CJGQWEVTCNYSBO-YLJYHZDGSA-N 1 2 344.503 3.337 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2nc(C3CCCC3)no2)C1 ZINC001185056533 1387602415 /nfs/dbraw/zinc/60/24/15/1387602415.db2.gz PEUCXFWWBFLRNL-GOEBONIOSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(C)CCC(=O)N[C@H](C)[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097534154 1363043125 /nfs/dbraw/zinc/04/31/25/1363043125.db2.gz DZPYNUJNDAOWMH-AEFFLSMTSA-N 1 2 344.503 3.479 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)c1ccco1 ZINC001097835751 1363136984 /nfs/dbraw/zinc/13/69/84/1363136984.db2.gz JVSLFXOBIIASQE-PIKADFDJSA-N 1 2 349.434 3.176 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)c1ccco1 ZINC001097835751 1363136985 /nfs/dbraw/zinc/13/69/85/1363136985.db2.gz 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CC#CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1coc(C)n1 ZINC001099189612 1363682572 /nfs/dbraw/zinc/68/25/72/1363682572.db2.gz UKHDVJXZNTZSJQ-SFHVURJKSA-N 1 2 345.487 3.283 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2Cc2nocc2C)C1 ZINC001099230810 1363703820 /nfs/dbraw/zinc/70/38/20/1363703820.db2.gz XFDLUHFERRDSSJ-MRXNPFEDSA-N 1 2 345.487 3.446 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2Cc2nocc2C)C1 ZINC001099230810 1363703824 /nfs/dbraw/zinc/70/38/24/1363703824.db2.gz XFDLUHFERRDSSJ-MRXNPFEDSA-N 1 2 345.487 3.446 20 30 EGEDLO C=CCC(CC=C)C(=O)NCC1CC([NH2+]CC(F)(F)C(F)F)C1 ZINC001100359833 1364090858 /nfs/dbraw/zinc/09/08/58/1364090858.db2.gz NUCMYYQSHLVBQX-UHFFFAOYSA-N 1 2 336.373 3.140 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCN(CC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001100682771 1364216999 /nfs/dbraw/zinc/21/69/99/1364216999.db2.gz BAQVYGMYDFQRPG-OAHLLOKOSA-N 1 2 332.492 3.453 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001101017862 1364376097 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1366575697 /nfs/dbraw/zinc/57/56/97/1366575697.db2.gz CBFDSORXXVMFIN-CVEARBPZSA-N 1 2 328.460 3.228 20 30 EGEDLO C=CCCCC(=O)N[C@@H](C)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001106548343 1366730287 /nfs/dbraw/zinc/73/02/87/1366730287.db2.gz VOSZIJXNBUTFIP-AWEZNQCLSA-N 1 2 330.476 3.327 20 30 EGEDLO CCN(CCNc1cc(C(C)C)[nH+]c(C(C)C)n1)C(=O)C#CC1CC1 ZINC001106751741 1366788386 /nfs/dbraw/zinc/78/83/86/1366788386.db2.gz IXFKNIVKUCZNKV-UHFFFAOYSA-N 1 2 342.487 3.397 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001109224593 1367013503 /nfs/dbraw/zinc/01/35/03/1367013503.db2.gz ACBFJYWXIKZQPS-KXBFYZLASA-N 1 2 332.492 3.452 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CCCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC001109340385 1367066118 /nfs/dbraw/zinc/06/61/18/1367066118.db2.gz UZKCZVASFNGLFW-DLBZAZTESA-N 1 2 328.460 3.066 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CCCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001109348385 1367077645 /nfs/dbraw/zinc/07/76/45/1367077645.db2.gz FRWARLACEJIJSI-QZTJIDSGSA-N 1 2 342.487 3.456 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@H]([N@H+](C)Cc2cnc(Cl)s2)C1 ZINC001189706440 1367091766 /nfs/dbraw/zinc/09/17/66/1367091766.db2.gz MYIZACHBCIDUAD-ZDUSSCGKSA-N 1 2 339.892 3.023 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2cnc(Cl)s2)C1 ZINC001189706440 1367091772 /nfs/dbraw/zinc/09/17/72/1367091772.db2.gz MYIZACHBCIDUAD-ZDUSSCGKSA-N 1 2 339.892 3.023 20 30 EGEDLO C#CCCCC(=O)N[C@H](C)CNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001107697469 1367106382 /nfs/dbraw/zinc/10/63/82/1367106382.db2.gz QAMPWFBCDBVKGU-OAHLLOKOSA-N 1 2 330.476 3.444 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)c(C)o1 ZINC001109603036 1367226583 /nfs/dbraw/zinc/22/65/83/1367226583.db2.gz FRRVVQPWHVHGPZ-SQNIBIBYSA-N 1 2 343.471 3.097 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)c(C)o1 ZINC001109603036 1367226591 /nfs/dbraw/zinc/22/65/91/1367226591.db2.gz FRRVVQPWHVHGPZ-SQNIBIBYSA-N 1 2 343.471 3.097 20 30 EGEDLO C=C(C)CCC(=O)NC[C@]1(C)C[N@H+]([C@H](C)c2cccc(F)c2)CCO1 ZINC001107977529 1367228243 /nfs/dbraw/zinc/22/82/43/1367228243.db2.gz NGFFMESTKZXFDC-OXQOHEQNSA-N 1 2 348.462 3.450 20 30 EGEDLO C=C(C)CCC(=O)NC[C@]1(C)C[N@@H+]([C@H](C)c2cccc(F)c2)CCO1 ZINC001107977529 1367228247 /nfs/dbraw/zinc/22/82/47/1367228247.db2.gz NGFFMESTKZXFDC-OXQOHEQNSA-N 1 2 348.462 3.450 20 30 EGEDLO CC[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001109608306 1367229660 /nfs/dbraw/zinc/22/96/60/1367229660.db2.gz MOAPPNWOQSUDAZ-OWSLCNJRSA-N 1 2 348.849 3.161 20 30 EGEDLO CC[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001109608306 1367229665 /nfs/dbraw/zinc/22/96/65/1367229665.db2.gz MOAPPNWOQSUDAZ-OWSLCNJRSA-N 1 2 348.849 3.161 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2ncc(C)o2)C1 ZINC001190354712 1367237170 /nfs/dbraw/zinc/23/71/70/1367237170.db2.gz OADYYWLGZIDBPZ-WBVHZDCISA-N 1 2 331.460 3.345 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2ncc(C)o2)C1 ZINC001190354712 1367237173 /nfs/dbraw/zinc/23/71/73/1367237173.db2.gz OADYYWLGZIDBPZ-WBVHZDCISA-N 1 2 331.460 3.345 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC001190387981 1367248473 /nfs/dbraw/zinc/24/84/73/1367248473.db2.gz JQVHGBUWGVPAJY-KRWDZBQOSA-N 1 2 332.492 3.099 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC001190387981 1367248478 /nfs/dbraw/zinc/24/84/78/1367248478.db2.gz JQVHGBUWGVPAJY-KRWDZBQOSA-N 1 2 332.492 3.099 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001109633203 1367251988 /nfs/dbraw/zinc/25/19/88/1367251988.db2.gz RYFDKWFIVAIIJC-OJLVUWQFSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001109633203 1367251992 /nfs/dbraw/zinc/25/19/92/1367251992.db2.gz RYFDKWFIVAIIJC-OJLVUWQFSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2nc(C(C)C)no2)C1 ZINC001190435073 1367263888 /nfs/dbraw/zinc/26/38/88/1367263888.db2.gz CHQXPTYZLURMHZ-CABCVRRESA-N 1 2 334.464 3.143 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2nc(C(C)C)no2)C1 ZINC001190435073 1367263891 /nfs/dbraw/zinc/26/38/91/1367263891.db2.gz CHQXPTYZLURMHZ-CABCVRRESA-N 1 2 334.464 3.143 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCc2ccc(C(C)C)cc2)C1 ZINC001108069029 1367266344 /nfs/dbraw/zinc/26/63/44/1367266344.db2.gz YAIXANJVDLEDKE-OAQYLSRUSA-N 1 2 344.499 3.136 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCc2ccc(C(C)C)cc2)C1 ZINC001108069029 1367266347 /nfs/dbraw/zinc/26/63/47/1367266347.db2.gz YAIXANJVDLEDKE-OAQYLSRUSA-N 1 2 344.499 3.136 20 30 EGEDLO CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001109660015 1367268962 /nfs/dbraw/zinc/26/89/62/1367268962.db2.gz RDEJKFXRJGYSAW-QYZOEREBSA-N 1 2 342.458 3.335 20 30 EGEDLO CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001109660015 1367268966 /nfs/dbraw/zinc/26/89/66/1367268966.db2.gz RDEJKFXRJGYSAW-QYZOEREBSA-N 1 2 342.458 3.335 20 30 EGEDLO C=CCCCC(=O)NC[C@]1(C)C[N@H+](Cc2csc(C)c2)CCO1 ZINC001108169850 1367321379 /nfs/dbraw/zinc/32/13/79/1367321379.db2.gz YMLRACXZAINBLK-GOSISDBHSA-N 1 2 336.501 3.120 20 30 EGEDLO C=CCCCC(=O)NC[C@]1(C)C[N@@H+](Cc2csc(C)c2)CCO1 ZINC001108169850 1367321385 /nfs/dbraw/zinc/32/13/85/1367321385.db2.gz YMLRACXZAINBLK-GOSISDBHSA-N 1 2 336.501 3.120 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CCC)CC2CCCC2)C1 ZINC001108256044 1367366981 /nfs/dbraw/zinc/36/69/81/1367366981.db2.gz AWYCTMYZKUXYHE-FPOVZHCZSA-N 1 2 348.531 3.213 20 30 EGEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CCC)CC2CCCC2)C1 ZINC001108256044 1367366985 /nfs/dbraw/zinc/36/69/85/1367366985.db2.gz AWYCTMYZKUXYHE-FPOVZHCZSA-N 1 2 348.531 3.213 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](CCC)CC2CCCC2)C1 ZINC001108256043 1367367520 /nfs/dbraw/zinc/36/75/20/1367367520.db2.gz AWYCTMYZKUXYHE-CTNGQTDRSA-N 1 2 348.531 3.213 20 30 EGEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](CCC)CC2CCCC2)C1 ZINC001108256043 1367367526 /nfs/dbraw/zinc/36/75/26/1367367526.db2.gz AWYCTMYZKUXYHE-CTNGQTDRSA-N 1 2 348.531 3.213 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC(C)C)c2ccccc2)C1 ZINC001108262688 1367372327 /nfs/dbraw/zinc/37/23/27/1367372327.db2.gz VUUIMFZTJRKKSI-PZJWPPBQSA-N 1 2 344.499 3.209 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC(C)C)c2ccccc2)C1 ZINC001108262688 1367372330 /nfs/dbraw/zinc/37/23/30/1367372330.db2.gz VUUIMFZTJRKKSI-PZJWPPBQSA-N 1 2 344.499 3.209 20 30 EGEDLO CCCCCCCNC(=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001191095549 1367423150 /nfs/dbraw/zinc/42/31/50/1367423150.db2.gz FFVMVAUOANJKPH-UHFFFAOYSA-N 1 2 347.503 3.493 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CC(C)(C)c2ccc(C)cc2)C1 ZINC001108385551 1367428697 /nfs/dbraw/zinc/42/86/97/1367428697.db2.gz JUMDTFSEXFJOLP-OAQYLSRUSA-N 1 2 344.499 3.056 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CC(C)(C)c2ccc(C)cc2)C1 ZINC001108385551 1367428701 /nfs/dbraw/zinc/42/87/01/1367428701.db2.gz JUMDTFSEXFJOLP-OAQYLSRUSA-N 1 2 344.499 3.056 20 30 EGEDLO C=CCCCC(=O)N[C@H](CNc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001109962669 1367429725 /nfs/dbraw/zinc/42/97/25/1367429725.db2.gz XMHJCPZGHOFLOK-MRXNPFEDSA-N 1 2 328.460 3.325 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc3c(cccc3F)s2)C1 ZINC001108388017 1367430106 /nfs/dbraw/zinc/43/01/06/1367430106.db2.gz WEWXSQDPEUOYSW-GOSISDBHSA-N 1 2 348.443 3.047 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc3c(cccc3F)s2)C1 ZINC001108388017 1367430109 /nfs/dbraw/zinc/43/01/09/1367430109.db2.gz WEWXSQDPEUOYSW-GOSISDBHSA-N 1 2 348.443 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1)C2 ZINC001110071378 1367492274 /nfs/dbraw/zinc/49/22/74/1367492274.db2.gz XHFZQCONPUKPSC-LMSBXDPUSA-N 1 2 348.874 3.236 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1)C2 ZINC001110071378 1367492276 /nfs/dbraw/zinc/49/22/76/1367492276.db2.gz XHFZQCONPUKPSC-LMSBXDPUSA-N 1 2 348.874 3.236 20 30 EGEDLO CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110290653 1367615364 /nfs/dbraw/zinc/61/53/64/1367615364.db2.gz KVLJMAWJSRAKNJ-NXHRZFHOSA-N 1 2 343.446 3.355 20 30 EGEDLO CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110290653 1367615371 /nfs/dbraw/zinc/61/53/71/1367615371.db2.gz KVLJMAWJSRAKNJ-NXHRZFHOSA-N 1 2 343.446 3.355 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@H+](C)CC(=C)Br)C1 ZINC001191912403 1367637552 /nfs/dbraw/zinc/63/75/52/1367637552.db2.gz OKIMEVXYGYJWIK-KGLIPLIRSA-N 1 2 329.282 3.030 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)CC(=C)Br)C1 ZINC001191912403 1367637555 /nfs/dbraw/zinc/63/75/55/1367637555.db2.gz OKIMEVXYGYJWIK-KGLIPLIRSA-N 1 2 329.282 3.030 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2nnc(CC(C)C)o2)C1 ZINC001192094904 1367686489 /nfs/dbraw/zinc/68/64/89/1367686489.db2.gz XRHRYEIPXKBNKS-CVEARBPZSA-N 1 2 348.491 3.218 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2nnc(CC(C)C)o2)C1 ZINC001192094904 1367686491 /nfs/dbraw/zinc/68/64/91/1367686491.db2.gz XRHRYEIPXKBNKS-CVEARBPZSA-N 1 2 348.491 3.218 20 30 EGEDLO C=C(C)CCC(=O)N1CCC([C@H]2CCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001110413203 1367702618 /nfs/dbraw/zinc/70/26/18/1367702618.db2.gz IZUOBGQKJYKLIA-SFHVURJKSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CCCC(=O)N1CC[C@@]2(C1)CCCN(c1nc(C)[nH+]c(C)c1C)C2 ZINC001110456396 1367742054 /nfs/dbraw/zinc/74/20/54/1367742054.db2.gz HDAXYTQRCRWMJQ-HXUWFJFHSA-N 1 2 342.487 3.187 20 30 EGEDLO CCC[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109093986 1367764499 /nfs/dbraw/zinc/76/44/99/1367764499.db2.gz NBZNXFFTYZAAJX-OLQIXAPSSA-N 1 2 343.446 3.355 20 30 EGEDLO CCC[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109093986 1367764505 /nfs/dbraw/zinc/76/45/05/1367764505.db2.gz NBZNXFFTYZAAJX-OLQIXAPSSA-N 1 2 343.446 3.355 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H](C)CN(C)c1nc(C)[nH+]c(C)c1C ZINC001109115681 1367778627 /nfs/dbraw/zinc/77/86/27/1367778627.db2.gz XLKKJHKOIQMBDW-CYBMUJFWSA-N 1 2 330.476 3.111 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H](C)CN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001109120742 1367781843 /nfs/dbraw/zinc/78/18/43/1367781843.db2.gz FQQOODVWUWJFGU-CQSZACIVSA-N 1 2 344.503 3.207 20 30 EGEDLO Cc1cc(N[C@@H]2CCN(C(=O)C#CC(C)C)[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC001110512502 1367794912 /nfs/dbraw/zinc/79/49/12/1367794912.db2.gz JUSUGQKVQPARFA-DOTOQJQBSA-N 1 2 340.471 3.113 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2noc3c2CCCC3)C1 ZINC001192586279 1367826129 /nfs/dbraw/zinc/82/61/29/1367826129.db2.gz LEXCSTPGJFRHKW-OAHLLOKOSA-N 1 2 345.487 3.188 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2noc3c2CCCC3)C1 ZINC001192586279 1367826131 /nfs/dbraw/zinc/82/61/31/1367826131.db2.gz LEXCSTPGJFRHKW-OAHLLOKOSA-N 1 2 345.487 3.188 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001110594301 1367854513 /nfs/dbraw/zinc/85/45/13/1367854513.db2.gz OSLWUECAEZKONW-QRVBRYPASA-N 1 2 343.446 3.211 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001110594301 1367854520 /nfs/dbraw/zinc/85/45/20/1367854520.db2.gz OSLWUECAEZKONW-QRVBRYPASA-N 1 2 343.446 3.211 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)c(C)s1 ZINC001110607362 1367870126 /nfs/dbraw/zinc/87/01/26/1367870126.db2.gz QMGQJHRCLZFNBC-OAGGEKHMSA-N 1 2 333.501 3.338 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)c(C)s1 ZINC001110607362 1367870130 /nfs/dbraw/zinc/87/01/30/1367870130.db2.gz QMGQJHRCLZFNBC-OAGGEKHMSA-N 1 2 333.501 3.338 20 30 EGEDLO C#CCN(C(=O)CCCCCC)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110624206 1367873999 /nfs/dbraw/zinc/87/39/99/1367873999.db2.gz BIYPGROVGUYHOK-UHFFFAOYSA-N 1 2 342.487 3.186 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C1CCCC1 ZINC001110675850 1367917121 /nfs/dbraw/zinc/91/71/21/1367917121.db2.gz ISVLLVWNTRASCE-LPHOPBHVSA-N 1 2 330.476 3.474 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)CCC2(C)CC2)C1 ZINC001193258096 1367983236 /nfs/dbraw/zinc/98/32/36/1367983236.db2.gz QQBOMLNLJIHGPH-CYBMUJFWSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)CCC2(C)CC2)C1 ZINC001193258096 1367983242 /nfs/dbraw/zinc/98/32/42/1367983242.db2.gz QQBOMLNLJIHGPH-CYBMUJFWSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001110890842 1368065040 /nfs/dbraw/zinc/06/50/40/1368065040.db2.gz JRTHXALRTXATNY-KFWWJZLASA-N 1 2 333.501 3.275 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001110890842 1368065044 /nfs/dbraw/zinc/06/50/44/1368065044.db2.gz JRTHXALRTXATNY-KFWWJZLASA-N 1 2 333.501 3.275 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(Cl)n1 ZINC001110964228 1368127332 /nfs/dbraw/zinc/12/73/32/1368127332.db2.gz ADMDMLBPWYARKT-OAGGEKHMSA-N 1 2 333.863 3.313 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(Cl)n1 ZINC001110964228 1368127334 /nfs/dbraw/zinc/12/73/34/1368127334.db2.gz ADMDMLBPWYARKT-OAGGEKHMSA-N 1 2 333.863 3.313 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ncc(C)s2)CC1 ZINC001110987993 1368134869 /nfs/dbraw/zinc/13/48/69/1368134869.db2.gz MOYBISORDUCFOU-OAGGEKHMSA-N 1 2 345.512 3.419 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ncc(C)s2)CC1 ZINC001110987993 1368134871 /nfs/dbraw/zinc/13/48/71/1368134871.db2.gz MOYBISORDUCFOU-OAGGEKHMSA-N 1 2 345.512 3.419 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cc(C)[nH+]c(C3CC3)n1)C2 ZINC001111151064 1368166692 /nfs/dbraw/zinc/16/66/92/1368166692.db2.gz WASODDBCSFUYKH-UAGQMJEPSA-N 1 2 340.471 3.102 20 30 EGEDLO C=CCCC1(C(=O)N2C[C@H](C)[C@H](CNc3cc[nH+]c(C)n3)C2)CC1 ZINC001111256493 1368223042 /nfs/dbraw/zinc/22/30/42/1368223042.db2.gz DWPGRGIOULVZSH-GOEBONIOSA-N 1 2 328.460 3.038 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3nccs3)C2)CCCC1 ZINC001194554928 1368285428 /nfs/dbraw/zinc/28/54/28/1368285428.db2.gz HFAZVUUKNHRVBK-HNNXBMFYSA-N 1 2 333.501 3.312 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3nccs3)C2)CCCC1 ZINC001194554928 1368285432 /nfs/dbraw/zinc/28/54/32/1368285432.db2.gz HFAZVUUKNHRVBK-HNNXBMFYSA-N 1 2 333.501 3.312 20 30 EGEDLO CCCCC(=O)N1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC001194876416 1368340086 /nfs/dbraw/zinc/34/00/86/1368340086.db2.gz RKWDIQJGVLUMSI-UHFFFAOYSA-N 1 2 332.875 3.416 20 30 EGEDLO CCCCC(=O)N1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC001194876416 1368340090 /nfs/dbraw/zinc/34/00/90/1368340090.db2.gz RKWDIQJGVLUMSI-UHFFFAOYSA-N 1 2 332.875 3.416 20 30 EGEDLO C=CCCCC(=O)NCc1ccccc1CN(C)c1cc[nH+]c(C)n1 ZINC001111628062 1368388613 /nfs/dbraw/zinc/38/86/13/1368388613.db2.gz IZLAKRHANJXMPN-UHFFFAOYSA-N 1 2 338.455 3.394 20 30 EGEDLO C=CCCC(=O)N1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC001195191901 1368397368 /nfs/dbraw/zinc/39/73/68/1368397368.db2.gz QGFYZZMWSGMESQ-UHFFFAOYSA-N 1 2 330.859 3.192 20 30 EGEDLO C=CCCC(=O)N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC001195191901 1368397373 /nfs/dbraw/zinc/39/73/73/1368397373.db2.gz QGFYZZMWSGMESQ-UHFFFAOYSA-N 1 2 330.859 3.192 20 30 EGEDLO CC(C)c1cc(NC2(CNC(=O)[C@@H](C)C#N)CCC2)nc(C(C)C)[nH+]1 ZINC001111773235 1368454241 /nfs/dbraw/zinc/45/42/41/1368454241.db2.gz OMCRTVGJIGKSCV-AWEZNQCLSA-N 1 2 343.475 3.334 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[N@@H+](Cc2nc(C)sc2C)CC1 ZINC001195989648 1368529632 /nfs/dbraw/zinc/52/96/32/1368529632.db2.gz CNPNKGZMDJYTDO-UHFFFAOYSA-N 1 2 335.517 3.397 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[N@H+](Cc2nc(C)sc2C)CC1 ZINC001195989648 1368529643 /nfs/dbraw/zinc/52/96/43/1368529643.db2.gz CNPNKGZMDJYTDO-UHFFFAOYSA-N 1 2 335.517 3.397 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001112002229 1368606781 /nfs/dbraw/zinc/60/67/81/1368606781.db2.gz WOQZAAIJPIGJOF-KRWDZBQOSA-N 1 2 328.460 3.029 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001196879581 1368704634 /nfs/dbraw/zinc/70/46/34/1368704634.db2.gz CJHNGVOFRATPLN-SFHVURJKSA-N 1 2 342.458 3.314 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001196879581 1368704637 /nfs/dbraw/zinc/70/46/37/1368704637.db2.gz CJHNGVOFRATPLN-SFHVURJKSA-N 1 2 342.458 3.314 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@@]2(CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001112219487 1368728103 /nfs/dbraw/zinc/72/81/03/1368728103.db2.gz QGZDMSAQSAZFRV-FQEVSTJZSA-N 1 2 342.487 3.206 20 30 EGEDLO CCCC1(C(=O)N2CCC[N@H+](CC#Cc3ccc(F)cc3)CC2)CC1 ZINC001197111039 1368746599 /nfs/dbraw/zinc/74/65/99/1368746599.db2.gz RYJFMJDVTHYIFC-UHFFFAOYSA-N 1 2 342.458 3.292 20 30 EGEDLO CCCC1(C(=O)N2CCC[N@@H+](CC#Cc3ccc(F)cc3)CC2)CC1 ZINC001197111039 1368746603 /nfs/dbraw/zinc/74/66/03/1368746603.db2.gz RYJFMJDVTHYIFC-UHFFFAOYSA-N 1 2 342.458 3.292 20 30 EGEDLO CCCC1(C(=O)N2CCC[N@H+](Cc3ccc(C#N)c(F)c3)CC2)CC1 ZINC001197111152 1368746852 /nfs/dbraw/zinc/74/68/52/1368746852.db2.gz YUZBNUQGUPGHSW-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO CCCC1(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)CC2)CC1 ZINC001197111152 1368746853 /nfs/dbraw/zinc/74/68/53/1368746853.db2.gz YUZBNUQGUPGHSW-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@H](C)C1 ZINC001112494745 1368890594 /nfs/dbraw/zinc/89/05/94/1368890594.db2.gz JHDQRCNDKHYSOY-RDTXWAMCSA-N 1 2 342.487 3.069 20 30 EGEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC001112671430 1368974563 /nfs/dbraw/zinc/97/45/63/1368974563.db2.gz ISHMBLSHMWKFOR-QGZVFWFLSA-N 1 2 342.483 3.189 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[NH+](CCOc2cccc(CC)c2)CC1 ZINC001112898084 1369078255 /nfs/dbraw/zinc/07/82/55/1369078255.db2.gz INKFRQJIIKAFTL-UHFFFAOYSA-N 1 2 344.499 3.374 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)c1cc[nH]c1C)c1ccccc1OC ZINC001198648543 1369081959 /nfs/dbraw/zinc/08/19/59/1369081959.db2.gz XGNSAAZZBHVAFC-INIZCTEOSA-N 1 2 347.846 3.145 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]([NH2+]CC(=C)Cl)c1ccccc1OC ZINC001198834813 1369125858 /nfs/dbraw/zinc/12/58/58/1369125858.db2.gz OHBWEYDXZJNDCZ-OAHLLOKOSA-N 1 2 336.863 3.407 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC[NH+](CCc2ccccc2Cl)CC1 ZINC001113229794 1369277294 /nfs/dbraw/zinc/27/72/94/1369277294.db2.gz RHCAMHFRCJGPBP-CVEARBPZSA-N 1 2 334.891 3.485 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](Cc2cccc(OC)c2C)CC1 ZINC001113243322 1369288160 /nfs/dbraw/zinc/28/81/60/1369288160.db2.gz HLSSALDFEKROIL-INIZCTEOSA-N 1 2 330.472 3.250 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](CCOc2ccc(C)cc2)CC1 ZINC001113246186 1369289167 /nfs/dbraw/zinc/28/91/67/1369289167.db2.gz IXHCXKKFKGYWSC-SFHVURJKSA-N 1 2 330.472 3.120 20 30 EGEDLO C=CC[C@@H](C(=O)N1CC[NH+](Cc2cnccc2C)CC1)c1ccccc1 ZINC001113663164 1369550407 /nfs/dbraw/zinc/55/04/07/1369550407.db2.gz ZHRHNFBETHFLIP-OAQYLSRUSA-N 1 2 349.478 3.394 20 30 EGEDLO Cc1cc(C[NH+]2CCN(C(=O)CC#Cc3ccccc3)CC2)cs1 ZINC001113668746 1369556454 /nfs/dbraw/zinc/55/64/54/1369556454.db2.gz ZJEXDLHKVNRMPY-UHFFFAOYSA-N 1 2 338.476 3.143 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001113823010 1369624234 /nfs/dbraw/zinc/62/42/34/1369624234.db2.gz YEMAJLVYAFQCMT-GJZGRUSLSA-N 1 2 330.476 3.206 20 30 EGEDLO CCCCCCCCCCS(=O)(=O)NCCc1[nH+]ccn1C ZINC001201837778 1369631393 /nfs/dbraw/zinc/63/13/93/1369631393.db2.gz PXGWLCGEUPEDNC-UHFFFAOYSA-N 1 2 329.510 3.023 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)CC[C@@H]1C ZINC001114023781 1369689472 /nfs/dbraw/zinc/68/94/72/1369689472.db2.gz JTUAUGNGELPMFN-RDJZCZTQSA-N 1 2 342.487 3.043 20 30 EGEDLO C#CCCCC(=O)N1C[C@H](CNc2cc(C)[nH+]c(C(C)C)n2)C[C@@H]1C ZINC001114685330 1370024241 /nfs/dbraw/zinc/02/42/41/1370024241.db2.gz SUOSDZQVAVUNME-IRXDYDNUSA-N 1 2 342.487 3.361 20 30 EGEDLO C=C[C@@H](C(=O)N[C@H]1C[C@H](CNc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001114771969 1370072512 /nfs/dbraw/zinc/07/25/12/1370072512.db2.gz CYNNTDKAYZHOSH-KBAYOESNSA-N 1 2 336.439 3.062 20 30 EGEDLO C=CCO[C@H](C)C(=O)N[C@H](C)CCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001114955128 1370176235 /nfs/dbraw/zinc/17/62/35/1370176235.db2.gz FXPOBQVNMILCNL-GDBMZVCRSA-N 1 2 348.491 3.196 20 30 EGEDLO C=CC1(CC(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cc(C)on4)C[C@H]32)CCCCC1 ZINC001114969316 1370184208 /nfs/dbraw/zinc/18/42/08/1370184208.db2.gz SHBMJDYOMSRRRH-DZFIZOCASA-N 1 2 343.471 3.056 20 30 EGEDLO C=CC1(CC(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cc(C)on4)C[C@H]32)CCCCC1 ZINC001114969316 1370184212 /nfs/dbraw/zinc/18/42/12/1370184212.db2.gz SHBMJDYOMSRRRH-DZFIZOCASA-N 1 2 343.471 3.056 20 30 EGEDLO Cc1nc(NCCCN(Cc2ccccc2)C(=O)C#CC2CC2)cc[nH+]1 ZINC001115157860 1370320225 /nfs/dbraw/zinc/32/02/25/1370320225.db2.gz SLJJFUVEPAFFKR-UHFFFAOYSA-N 1 2 348.450 3.029 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3nnc(C)o3)C[C@H]21 ZINC001115165532 1370323067 /nfs/dbraw/zinc/32/30/67/1370323067.db2.gz JKRYILXICYQIDS-KBEGMRNHSA-N 1 2 348.491 3.236 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3nnc(C)o3)C[C@H]21 ZINC001115165532 1370323072 /nfs/dbraw/zinc/32/30/72/1370323072.db2.gz JKRYILXICYQIDS-KBEGMRNHSA-N 1 2 348.491 3.236 20 30 EGEDLO Cc1nc(NCCC[C@@H](NC(=O)C#CC2CC2)c2ccccc2)cc[nH+]1 ZINC001115275515 1370353489 /nfs/dbraw/zinc/35/34/89/1370353489.db2.gz TWOCNPYQSNMPQJ-LJQANCHMSA-N 1 2 348.450 3.248 20 30 EGEDLO Cc1cc(N[C@H](CCNC(=O)[C@H](C)C#N)C(C)C)nc(C(C)C)[nH+]1 ZINC001115301444 1370368529 /nfs/dbraw/zinc/36/85/29/1370368529.db2.gz ZVCUEHRXZDGVPZ-UKRRQHHQSA-N 1 2 331.464 3.011 20 30 EGEDLO C=CCCC(=O)NCC1([NH2+]Cc2noc(C(C)C)n2)CCCCC1 ZINC001115441308 1370454247 /nfs/dbraw/zinc/45/42/47/1370454247.db2.gz BUMMYCFGVUNCJH-UHFFFAOYSA-N 1 2 334.464 3.068 20 30 EGEDLO C=CCCC(=O)NCC1([NH2+]Cc2noc(CC(C)C)n2)CCCCC1 ZINC001115442800 1370454997 /nfs/dbraw/zinc/45/49/97/1370454997.db2.gz RMFUMIFZINGGFG-UHFFFAOYSA-N 1 2 348.491 3.143 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1cccc(F)c1C ZINC001204510521 1370498917 /nfs/dbraw/zinc/49/89/17/1370498917.db2.gz KZIZKZQLHUZDCJ-GOSISDBHSA-N 1 2 329.419 3.170 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1cccc(F)c1C ZINC001204510521 1370498918 /nfs/dbraw/zinc/49/89/18/1370498918.db2.gz KZIZKZQLHUZDCJ-GOSISDBHSA-N 1 2 329.419 3.170 20 30 EGEDLO Cc1cc(NC[C@@H](C2CC2)N(C)C(=O)C#CC(C)C)nc(C(C)C)[nH+]1 ZINC001115517916 1370516975 /nfs/dbraw/zinc/51/69/75/1370516975.db2.gz XDPIBKUXQGMSMR-KRWDZBQOSA-N 1 2 342.487 3.217 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@H+](CCc3ccc(F)cc3F)CCO2)c1 ZINC001116535748 1370931987 /nfs/dbraw/zinc/93/19/87/1370931987.db2.gz LJBGTOBROUSBDT-IBGZPJMESA-N 1 2 328.362 3.452 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCc3ccc(F)cc3F)CCO2)c1 ZINC001116535748 1370931990 /nfs/dbraw/zinc/93/19/90/1370931990.db2.gz LJBGTOBROUSBDT-IBGZPJMESA-N 1 2 328.362 3.452 20 30 EGEDLO N[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC001206221468 1370995966 /nfs/dbraw/zinc/99/59/66/1370995966.db2.gz HFBQGZLCYHMRJD-LLVKDONJSA-N 1 2 330.247 3.310 20 30 EGEDLO N[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC001206221468 1370995971 /nfs/dbraw/zinc/99/59/71/1370995971.db2.gz HFBQGZLCYHMRJD-LLVKDONJSA-N 1 2 330.247 3.310 20 30 EGEDLO N#Cc1cc2nc(-c3ccc(C[NH+]4CCOCC4)cc3F)ccc2[nH]1 ZINC001206678016 1371129708 /nfs/dbraw/zinc/12/97/08/1371129708.db2.gz LBYYBFGLIOWOSC-UHFFFAOYSA-N 1 2 336.370 3.073 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206872045 1371198962 /nfs/dbraw/zinc/19/89/62/1371198962.db2.gz KOYUPNNQESPKIF-RHSMWYFYSA-N 1 2 348.849 3.391 20 30 EGEDLO CC(C)=C(F)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206872045 1371198965 /nfs/dbraw/zinc/19/89/65/1371198965.db2.gz KOYUPNNQESPKIF-RHSMWYFYSA-N 1 2 348.849 3.391 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1CCc1c(F)cccc1F ZINC001208117092 1371600615 /nfs/dbraw/zinc/60/06/15/1371600615.db2.gz FZYRUFSJDFRQRR-SFHVURJKSA-N 1 2 347.409 3.043 20 30 EGEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1CCc1c(F)cccc1F ZINC001208117092 1371600616 /nfs/dbraw/zinc/60/06/16/1371600616.db2.gz FZYRUFSJDFRQRR-SFHVURJKSA-N 1 2 347.409 3.043 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ncoc2C(C)C)C[C@H]1C ZINC001208389039 1371748418 /nfs/dbraw/zinc/74/84/18/1371748418.db2.gz XTBNRYVUSAHVFB-ARFHVFGLSA-N 1 2 333.476 3.337 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ncoc2C(C)C)C[C@H]1C ZINC001208389039 1371748421 /nfs/dbraw/zinc/74/84/21/1371748421.db2.gz XTBNRYVUSAHVFB-ARFHVFGLSA-N 1 2 333.476 3.337 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2nc3c(o2)CCCC3)C[C@H]1C ZINC001208390791 1371749500 /nfs/dbraw/zinc/74/95/00/1371749500.db2.gz DRAGUMGYDZIUIZ-BFYDXBDKSA-N 1 2 345.487 3.092 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2nc3c(o2)CCCC3)C[C@H]1C ZINC001208390791 1371749505 /nfs/dbraw/zinc/74/95/05/1371749505.db2.gz DRAGUMGYDZIUIZ-BFYDXBDKSA-N 1 2 345.487 3.092 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001208508589 1371792277 /nfs/dbraw/zinc/79/22/77/1371792277.db2.gz ACAYFLWECUJARU-ZXYWRSMDSA-N 1 2 331.460 3.091 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001208508589 1371792279 /nfs/dbraw/zinc/79/22/79/1371792279.db2.gz ACAYFLWECUJARU-ZXYWRSMDSA-N 1 2 331.460 3.091 20 30 EGEDLO C=C(C)CCC(=O)NC1CC2(C1)CC([NH2+]Cc1noc(C(C)C)n1)C2 ZINC001121180427 1371880758 /nfs/dbraw/zinc/88/07/58/1371880758.db2.gz QMACKTIRBPXTJX-UHFFFAOYSA-N 1 2 346.475 3.066 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H](C[N@@H+]1CC[C@](C)(C#N)C1)c1ccccc1 ZINC001208764294 1371888580 /nfs/dbraw/zinc/88/85/80/1371888580.db2.gz AXUQDQHIXACZOY-VQIMIIECSA-N 1 2 329.444 3.488 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H](C[N@H+]1CC[C@](C)(C#N)C1)c1ccccc1 ZINC001208764294 1371888586 /nfs/dbraw/zinc/88/85/86/1371888586.db2.gz AXUQDQHIXACZOY-VQIMIIECSA-N 1 2 329.444 3.488 20 30 EGEDLO N#Cc1ccc(CCN2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)cc1 ZINC001208929060 1371948912 /nfs/dbraw/zinc/94/89/12/1371948912.db2.gz MTKKCTQRLGHIIL-GOSISDBHSA-N 1 2 333.426 3.296 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC001209146083 1372014154 /nfs/dbraw/zinc/01/41/54/1372014154.db2.gz KJLMCGKUPRHMHT-LSDHHAIUSA-N 1 2 348.491 3.050 20 30 EGEDLO CCC[C@@H](C)N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC ZINC001121801416 1372085738 /nfs/dbraw/zinc/08/57/38/1372085738.db2.gz PVFRCAXZKIGEBE-OAHLLOKOSA-N 1 2 332.496 3.016 20 30 EGEDLO N#Cc1cc(Nc2ccccc2C[NH+]2CCOCC2)cc(F)c1F ZINC001209932467 1372234938 /nfs/dbraw/zinc/23/49/38/1372234938.db2.gz OLAMXMLINKWHRW-UHFFFAOYSA-N 1 2 329.350 3.412 20 30 EGEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@@H](CC(C)C)C1 ZINC001122400469 1372242203 /nfs/dbraw/zinc/24/22/03/1372242203.db2.gz QNQHUXZRAUKHIV-INIZCTEOSA-N 1 2 342.491 3.051 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2nonc2C)C[C@H]1C ZINC001210547700 1372376246 /nfs/dbraw/zinc/37/62/46/1372376246.db2.gz UNVRSDOCYIBXDC-GDBMZVCRSA-N 1 2 336.480 3.065 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2nonc2C)C[C@H]1C ZINC001210547700 1372376242 /nfs/dbraw/zinc/37/62/42/1372376242.db2.gz UNVRSDOCYIBXDC-GDBMZVCRSA-N 1 2 336.480 3.065 20 30 EGEDLO N#Cc1cc(C(=O)OCC2CCN(c3cccc[nH+]3)CC2)cs1 ZINC001123100603 1372380436 /nfs/dbraw/zinc/38/04/36/1372380436.db2.gz YEHUFFGAOVCBKW-UHFFFAOYSA-N 1 2 327.409 3.088 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@H]([NH2+]Cc3csnn3)C2)CCCCC1 ZINC001211212770 1372503832 /nfs/dbraw/zinc/50/38/32/1372503832.db2.gz GSWWDMIXUUPDTB-HNNXBMFYSA-N 1 2 348.516 3.145 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001123636770 1372534305 /nfs/dbraw/zinc/53/43/05/1372534305.db2.gz OZFZCRMWZTVFMY-NVXWUHKLSA-N 1 2 342.487 3.492 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001123829483 1372601191 /nfs/dbraw/zinc/60/11/91/1372601191.db2.gz OKWXLKGUHYARRX-RDJZCZTQSA-N 1 2 328.460 3.250 20 30 EGEDLO C=CCCC1(C(=O)N2C[C@H](Nc3cc[nH+]c(C)n3)C(C)(C)C2)CC1 ZINC001124012482 1372657413 /nfs/dbraw/zinc/65/74/13/1372657413.db2.gz XBEOWFDYOZEHCW-HNNXBMFYSA-N 1 2 328.460 3.180 20 30 EGEDLO C=CCCC(=O)NCC[NH2+]Cc1nc(-c2ccc(C(C)C)cc2)no1 ZINC001124640888 1372718627 /nfs/dbraw/zinc/71/86/27/1372718627.db2.gz RWNZXVGUZITZRH-UHFFFAOYSA-N 1 2 342.443 3.032 20 30 EGEDLO CC(C)c1cc(NC2CC(N(C)C(=O)[C@H](C)C#N)C2)nc(C(C)C)[nH+]1 ZINC001126876076 1373045401 /nfs/dbraw/zinc/04/54/01/1373045401.db2.gz AKEAKBZHEHSGCO-WLYUNCDWSA-N 1 2 343.475 3.284 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)C(F)=C(C)C)c2C1 ZINC001128321196 1373251301 /nfs/dbraw/zinc/25/13/01/1373251301.db2.gz FZICYRGKQFTTDQ-UHFFFAOYSA-N 1 2 348.466 3.325 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)C(F)=C(C)C)c2C1 ZINC001128321196 1373251303 /nfs/dbraw/zinc/25/13/03/1373251303.db2.gz FZICYRGKQFTTDQ-UHFFFAOYSA-N 1 2 348.466 3.325 20 30 EGEDLO C=CCC[C@H](C)[N@H+]1Cc2cnn(C3CCN(C(=O)C(C)C)CC3)c2C1 ZINC001130163596 1373466727 /nfs/dbraw/zinc/46/67/27/1373466727.db2.gz OOCQLWVYJFNMEQ-INIZCTEOSA-N 1 2 344.503 3.373 20 30 EGEDLO C=CCC[C@H](C)[N@@H+]1Cc2cnn(C3CCN(C(=O)C(C)C)CC3)c2C1 ZINC001130163596 1373466730 /nfs/dbraw/zinc/46/67/30/1373466730.db2.gz OOCQLWVYJFNMEQ-INIZCTEOSA-N 1 2 344.503 3.373 20 30 EGEDLO C=CCCCC(=O)N1CCC(n2ncc3c2C[N@H+](CC2CC2)C3)CC1 ZINC001130166997 1373467662 /nfs/dbraw/zinc/46/76/62/1373467662.db2.gz ULOLEVWWQJXAHI-UHFFFAOYSA-N 1 2 342.487 3.129 20 30 EGEDLO C=CCCCC(=O)N1CCC(n2ncc3c2C[N@@H+](CC2CC2)C3)CC1 ZINC001130166997 1373467664 /nfs/dbraw/zinc/46/76/64/1373467664.db2.gz ULOLEVWWQJXAHI-UHFFFAOYSA-N 1 2 342.487 3.129 20 30 EGEDLO Cc1cc(C#N)cc(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC001219116657 1373688589 /nfs/dbraw/zinc/68/85/89/1373688589.db2.gz ZHGVPHPLGPACAR-UHFFFAOYSA-N 1 2 345.406 3.433 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([NH2+][C@@H](C)c3nc(CC)no3)C2)CCCC1 ZINC001188483196 1388316656 /nfs/dbraw/zinc/31/66/56/1388316656.db2.gz NXJDLKZIXYNJJQ-LSDHHAIUSA-N 1 2 346.475 3.020 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)/C=C/C2CC2)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC001131943109 1375059657 /nfs/dbraw/zinc/05/96/57/1375059657.db2.gz KFOFBHYKLCUEQV-ZPXCDMCZSA-N 1 2 341.430 3.133 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)/C=C/C2CC2)C[N@H+]1Cc1cc(F)ccc1C#N ZINC001131943109 1375059659 /nfs/dbraw/zinc/05/96/59/1375059659.db2.gz KFOFBHYKLCUEQV-ZPXCDMCZSA-N 1 2 341.430 3.133 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001131972043 1375077496 /nfs/dbraw/zinc/07/74/96/1375077496.db2.gz PBRBCLFQGKWUNV-NVXWUHKLSA-N 1 2 347.890 3.398 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001131972043 1375077501 /nfs/dbraw/zinc/07/75/01/1375077501.db2.gz PBRBCLFQGKWUNV-NVXWUHKLSA-N 1 2 347.890 3.398 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)/C=C(\C)CC)CC[C@H]1C ZINC001132013013 1375097252 /nfs/dbraw/zinc/09/72/52/1375097252.db2.gz GBDFHGHCQANDLK-DVFZLIDBSA-N 1 2 329.282 3.220 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)/C=C(\C)CC)CC[C@H]1C ZINC001132013013 1375097257 /nfs/dbraw/zinc/09/72/57/1375097257.db2.gz GBDFHGHCQANDLK-DVFZLIDBSA-N 1 2 329.282 3.220 20 30 EGEDLO CCCCCCCCC(=O)NCC1CC[NH+](Cc2nnc(C)[nH]2)CC1 ZINC001225245050 1375098914 /nfs/dbraw/zinc/09/89/14/1375098914.db2.gz NKNLAKFFDFRGJK-UHFFFAOYSA-N 1 2 349.523 3.192 20 30 EGEDLO CC(C)c1ocnc1C[N@@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132034063 1375108965 /nfs/dbraw/zinc/10/89/65/1375108965.db2.gz NPJASJZSUZECFV-HOTGVXAUSA-N 1 2 345.487 3.317 20 30 EGEDLO CC(C)c1ocnc1C[N@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132034063 1375108966 /nfs/dbraw/zinc/10/89/66/1375108966.db2.gz NPJASJZSUZECFV-HOTGVXAUSA-N 1 2 345.487 3.317 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1ccc(F)c(F)c1 ZINC001132034722 1375109457 /nfs/dbraw/zinc/10/94/57/1375109457.db2.gz UQQVFXFDZBXQDZ-GOEBONIOSA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1ccc(F)c(F)c1 ZINC001132034722 1375109460 /nfs/dbraw/zinc/10/94/60/1375109460.db2.gz UQQVFXFDZBXQDZ-GOEBONIOSA-N 1 2 348.437 3.483 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ncc(C)o2)C1 ZINC001132057168 1375123662 /nfs/dbraw/zinc/12/36/62/1375123662.db2.gz KMSAADXFVOEHLM-YOEHRIQHSA-N 1 2 331.460 3.221 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ncc(C)o2)C1 ZINC001132057168 1375123663 /nfs/dbraw/zinc/12/36/63/1375123663.db2.gz KMSAADXFVOEHLM-YOEHRIQHSA-N 1 2 331.460 3.221 20 30 EGEDLO N#Cc1cc(Cl)cc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001225697476 1375146692 /nfs/dbraw/zinc/14/66/92/1375146692.db2.gz ILIUUTFGYUYURM-LJQANCHMSA-N 1 2 342.826 3.491 20 30 EGEDLO N#Cc1cc(Cl)cc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001225697476 1375146695 /nfs/dbraw/zinc/14/66/95/1375146695.db2.gz ILIUUTFGYUYURM-LJQANCHMSA-N 1 2 342.826 3.491 20 30 EGEDLO C#CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC=C(Cl)Cl)C2)CCC1 ZINC001132100968 1375148034 /nfs/dbraw/zinc/14/80/34/1375148034.db2.gz DWTMZPPTGHNOHU-KGLIPLIRSA-N 1 2 343.298 3.468 20 30 EGEDLO C#CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC=C(Cl)Cl)C2)CCC1 ZINC001132100968 1375148036 /nfs/dbraw/zinc/14/80/36/1375148036.db2.gz DWTMZPPTGHNOHU-KGLIPLIRSA-N 1 2 343.298 3.468 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)CC2(C)CC2)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC001132191234 1375198489 /nfs/dbraw/zinc/19/84/89/1375198489.db2.gz RPGHBRCISJKZTM-RDTXWAMCSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)CC2(C)CC2)C[N@H+]1Cc1cc(F)ccc1C#N ZINC001132191234 1375198492 /nfs/dbraw/zinc/19/84/92/1375198492.db2.gz RPGHBRCISJKZTM-RDTXWAMCSA-N 1 2 343.446 3.357 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)sc2C)C1 ZINC001132218462 1375216867 /nfs/dbraw/zinc/21/68/67/1375216867.db2.gz QUSKYBWLGQOICE-IUODEOHRSA-N 1 2 335.517 3.441 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2nc(C)sc2C)C1 ZINC001132218462 1375216872 /nfs/dbraw/zinc/21/68/72/1375216872.db2.gz QUSKYBWLGQOICE-IUODEOHRSA-N 1 2 335.517 3.441 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2nccs2)C1 ZINC001132227525 1375223271 /nfs/dbraw/zinc/22/32/71/1375223271.db2.gz FHCKMABSXFVJKP-HZPDHXFCSA-N 1 2 333.501 3.196 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2nccs2)C1 ZINC001132227525 1375223274 /nfs/dbraw/zinc/22/32/74/1375223274.db2.gz FHCKMABSXFVJKP-HZPDHXFCSA-N 1 2 333.501 3.196 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ncoc2C(C)C)C1 ZINC001132234830 1375229150 /nfs/dbraw/zinc/22/91/50/1375229150.db2.gz FLMGRTQWMOTEPV-SJORKVTESA-N 1 2 345.487 3.461 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001132234830 1375229153 /nfs/dbraw/zinc/22/91/53/1375229153.db2.gz FLMGRTQWMOTEPV-SJORKVTESA-N 1 2 345.487 3.461 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC=C(Cl)Cl)C1 ZINC001132235592 1375230824 /nfs/dbraw/zinc/23/08/24/1375230824.db2.gz QBMKQCFNMWMMBP-KBPBESRZSA-N 1 2 331.287 3.468 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC=C(Cl)Cl)C1 ZINC001132235592 1375230828 /nfs/dbraw/zinc/23/08/28/1375230828.db2.gz QBMKQCFNMWMMBP-KBPBESRZSA-N 1 2 331.287 3.468 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001132255736 1375249659 /nfs/dbraw/zinc/24/96/59/1375249659.db2.gz DVMDWNVKTFTFEV-CVEARBPZSA-N 1 2 345.487 3.379 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001132255736 1375249664 /nfs/dbraw/zinc/24/96/64/1375249664.db2.gz DVMDWNVKTFTFEV-CVEARBPZSA-N 1 2 345.487 3.379 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001132255738 1375249695 /nfs/dbraw/zinc/24/96/95/1375249695.db2.gz DVMDWNVKTFTFEV-HZPDHXFCSA-N 1 2 345.487 3.379 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001132255738 1375249700 /nfs/dbraw/zinc/24/97/00/1375249700.db2.gz DVMDWNVKTFTFEV-HZPDHXFCSA-N 1 2 345.487 3.379 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001132257548 1375250396 /nfs/dbraw/zinc/25/03/96/1375250396.db2.gz XOBYWTTURHKHJP-IAGOWNOFSA-N 1 2 332.492 3.289 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001132257548 1375250401 /nfs/dbraw/zinc/25/04/01/1375250401.db2.gz XOBYWTTURHKHJP-IAGOWNOFSA-N 1 2 332.492 3.289 20 30 EGEDLO C=CCCC(=O)NC1CC[NH+](Cc2nc(C(C)(C)C)cs2)CC1 ZINC001226518350 1375273760 /nfs/dbraw/zinc/27/37/60/1375273760.db2.gz GWIBEAYEGRAKNB-UHFFFAOYSA-N 1 2 335.517 3.487 20 30 EGEDLO CC(C)C#CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC001227233367 1375409562 /nfs/dbraw/zinc/40/95/62/1375409562.db2.gz TUQXHGXPKVZSOC-UHFFFAOYSA-N 1 2 336.838 3.219 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)COc2cccc(C)c2)CC[C@@H]1C ZINC001132486041 1375420147 /nfs/dbraw/zinc/42/01/47/1375420147.db2.gz LAOSNQZXDRMFGL-HOTGVXAUSA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)COc2cccc(C)c2)CC[C@@H]1C ZINC001132486041 1375420149 /nfs/dbraw/zinc/42/01/49/1375420149.db2.gz LAOSNQZXDRMFGL-HOTGVXAUSA-N 1 2 336.863 3.095 20 30 EGEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3c(Cl)cccc3Br)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227807096 1375478237 /nfs/dbraw/zinc/47/82/37/1375478237.db2.gz CPIDQYQTZMCTIW-PEUDNIOHSA-N 1 2 344.636 3.094 20 30 EGEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3c(Cl)cccc3Br)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227807096 1375478241 /nfs/dbraw/zinc/47/82/41/1375478241.db2.gz CPIDQYQTZMCTIW-PEUDNIOHSA-N 1 2 344.636 3.094 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@](C)(F)CCCC)CC1 ZINC001228065659 1375514481 /nfs/dbraw/zinc/51/44/81/1375514481.db2.gz SIMKMYUFHDJYFJ-HNNXBMFYSA-N 1 2 349.288 3.394 20 30 EGEDLO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3cnc(Cl)s3)C2)n1 ZINC001230044184 1375934863 /nfs/dbraw/zinc/93/48/63/1375934863.db2.gz XGIPTKNAQHWZIA-GFCCVEGCSA-N 1 2 334.832 3.107 20 30 EGEDLO N#Cc1cccc(O[C@@H]2CCC[N@H+](Cc3cnc(Cl)s3)C2)n1 ZINC001230044184 1375934865 /nfs/dbraw/zinc/93/48/65/1375934865.db2.gz XGIPTKNAQHWZIA-GFCCVEGCSA-N 1 2 334.832 3.107 20 30 EGEDLO C=C(Cl)C[N@H+](CCCNC(=O)C1CC=CC1)Cc1cccnc1 ZINC001230720454 1376131271 /nfs/dbraw/zinc/13/12/71/1376131271.db2.gz IZMWOVYDLZLMNY-UHFFFAOYSA-N 1 2 333.863 3.109 20 30 EGEDLO C=C(Cl)C[N@@H+](CCCNC(=O)C1CC=CC1)Cc1cccnc1 ZINC001230720454 1376131275 /nfs/dbraw/zinc/13/12/75/1376131275.db2.gz IZMWOVYDLZLMNY-UHFFFAOYSA-N 1 2 333.863 3.109 20 30 EGEDLO C#Cc1cccc(C[N@H+]2CCc3sc(C(=O)OCC)cc3C2)c1 ZINC001231658981 1376298419 /nfs/dbraw/zinc/29/84/19/1376298419.db2.gz CJOJEKXFEHGTGN-UHFFFAOYSA-N 1 2 325.433 3.464 20 30 EGEDLO C#Cc1cccc(C[N@@H+]2CCc3sc(C(=O)OCC)cc3C2)c1 ZINC001231658981 1376298437 /nfs/dbraw/zinc/29/84/37/1376298437.db2.gz CJOJEKXFEHGTGN-UHFFFAOYSA-N 1 2 325.433 3.464 20 30 EGEDLO Cc1ccc2c(n1)N(C)CC[N@H+](Cc1ccc(C#N)c(Cl)c1)C2 ZINC001232114434 1376402010 /nfs/dbraw/zinc/40/20/10/1376402010.db2.gz JBCNPNHYILGHIT-UHFFFAOYSA-N 1 2 326.831 3.367 20 30 EGEDLO Cc1ccc2c(n1)N(C)CC[N@@H+](Cc1ccc(C#N)c(Cl)c1)C2 ZINC001232114434 1376402036 /nfs/dbraw/zinc/40/20/36/1376402036.db2.gz JBCNPNHYILGHIT-UHFFFAOYSA-N 1 2 326.831 3.367 20 30 EGEDLO COc1ccccc1[C@@H](O)C[N@H+](Cc1cc(C#N)ccc1O)C(C)C ZINC001232678965 1376499959 /nfs/dbraw/zinc/49/99/59/1376499959.db2.gz WIHGZUXLZFIHBI-IBGZPJMESA-N 1 2 340.423 3.216 20 30 EGEDLO COc1ccccc1[C@@H](O)C[N@@H+](Cc1cc(C#N)ccc1O)C(C)C ZINC001232678965 1376499960 /nfs/dbraw/zinc/49/99/60/1376499960.db2.gz WIHGZUXLZFIHBI-IBGZPJMESA-N 1 2 340.423 3.216 20 30 EGEDLO COc1cccc(OC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)n1 ZINC001232892417 1376535420 /nfs/dbraw/zinc/53/54/20/1376535420.db2.gz IZZUOJSTKONHPQ-UHFFFAOYSA-N 1 2 341.386 3.144 20 30 EGEDLO Cc1cccnc1O[C@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001232892228 1376535913 /nfs/dbraw/zinc/53/59/13/1376535913.db2.gz DOWIMOYUXKXBHA-SFHVURJKSA-N 1 2 325.387 3.444 20 30 EGEDLO Cc1cccnc1O[C@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001232892228 1376535919 /nfs/dbraw/zinc/53/59/19/1376535919.db2.gz DOWIMOYUXKXBHA-SFHVURJKSA-N 1 2 325.387 3.444 20 30 EGEDLO Cc1ccc(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)c(C#N)c1 ZINC001232967823 1376550083 /nfs/dbraw/zinc/55/00/83/1376550083.db2.gz XPJRKSUOSKQSQS-MRXNPFEDSA-N 1 2 326.362 3.392 20 30 EGEDLO C=CCOC(=O)N1CC[NH+](Cc2ccc3nc(Cl)ccc3c2)CC1 ZINC001233445505 1376646875 /nfs/dbraw/zinc/64/68/75/1376646875.db2.gz ITOZVJIIHILVHS-UHFFFAOYSA-N 1 2 345.830 3.328 20 30 EGEDLO CC/C(C)=C\C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001234141434 1376776425 /nfs/dbraw/zinc/77/64/25/1376776425.db2.gz OPHQKGKUQKMBEC-CRPZLVSXSA-N 1 2 329.419 3.086 20 30 EGEDLO CC/C(C)=C\C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001234141434 1376776430 /nfs/dbraw/zinc/77/64/30/1376776430.db2.gz OPHQKGKUQKMBEC-CRPZLVSXSA-N 1 2 329.419 3.086 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CCCNC(=O)C(F)C(F)(F)F ZINC001753027064 1440271816 /nfs/dbraw/zinc/27/18/16/1440271816.db2.gz CFOFBCLMAOVQFK-MNOVXSKESA-N 1 2 330.753 3.000 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CCCNC(=O)C(F)C(F)(F)F ZINC001753027064 1440271817 /nfs/dbraw/zinc/27/18/17/1440271817.db2.gz CFOFBCLMAOVQFK-MNOVXSKESA-N 1 2 330.753 3.000 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@H](F)C(F)(F)F ZINC001753027064 1440271818 /nfs/dbraw/zinc/27/18/18/1440271818.db2.gz CFOFBCLMAOVQFK-MNOVXSKESA-N 1 2 330.753 3.000 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](F)C(F)(F)F ZINC001753027064 1440271819 /nfs/dbraw/zinc/27/18/19/1440271819.db2.gz CFOFBCLMAOVQFK-MNOVXSKESA-N 1 2 330.753 3.000 20 30 EGEDLO COc1ccc(-c2ccc(OC)c(C#N)c2)c(C[NH+]2CCOCC2)c1 ZINC001244710220 1377040018 /nfs/dbraw/zinc/04/00/18/1377040018.db2.gz DNGDRAFCEMTBBM-UHFFFAOYSA-N 1 2 338.407 3.075 20 30 EGEDLO CC(C)C[C@H](C)CC(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001266348138 1377287564 /nfs/dbraw/zinc/28/75/64/1377287564.db2.gz XJCDJFOPFNCIPG-HNNXBMFYSA-N 1 2 333.451 3.318 20 30 EGEDLO CC(C)C[C@H](C)CC(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001266348138 1377287566 /nfs/dbraw/zinc/28/75/66/1377287566.db2.gz XJCDJFOPFNCIPG-HNNXBMFYSA-N 1 2 333.451 3.318 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)C(C)(C)c1ccc(F)cc1)C1CC1 ZINC001267336681 1377441835 /nfs/dbraw/zinc/44/18/35/1377441835.db2.gz WHJUGVZRPKJEKV-UHFFFAOYSA-N 1 2 338.854 3.436 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)C(C)(C)c1ccc(F)cc1)C1CC1 ZINC001267336681 1377441836 /nfs/dbraw/zinc/44/18/36/1377441836.db2.gz WHJUGVZRPKJEKV-UHFFFAOYSA-N 1 2 338.854 3.436 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@]1(C)CCOc2ccccc21)C1CC1 ZINC001267336344 1377441934 /nfs/dbraw/zinc/44/19/34/1377441934.db2.gz NOMFKKIFSFFTRV-LJQANCHMSA-N 1 2 348.874 3.060 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@]1(C)CCOc2ccccc21)C1CC1 ZINC001267336344 1377441935 /nfs/dbraw/zinc/44/19/35/1377441935.db2.gz NOMFKKIFSFFTRV-LJQANCHMSA-N 1 2 348.874 3.060 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(F)ccc(F)c1F)C2 ZINC001137929592 1377646725 /nfs/dbraw/zinc/64/67/25/1377646725.db2.gz VSERWSIIFJSIQN-UGSOOPFHSA-N 1 2 341.373 3.430 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1c(F)ccc(F)c1F)C2 ZINC001137929592 1377646729 /nfs/dbraw/zinc/64/67/29/1377646729.db2.gz VSERWSIIFJSIQN-UGSOOPFHSA-N 1 2 341.373 3.430 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC)C1 ZINC001138485397 1377731357 /nfs/dbraw/zinc/73/13/57/1377731357.db2.gz QAQBAPLJQAOKME-OAHLLOKOSA-N 1 2 338.835 3.225 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC)C1 ZINC001138485397 1377731362 /nfs/dbraw/zinc/73/13/62/1377731362.db2.gz QAQBAPLJQAOKME-OAHLLOKOSA-N 1 2 338.835 3.225 20 30 EGEDLO COC(=O)C1(C#N)CC[NH+](Cc2c[nH]c3c2cccc3Cl)CC1 ZINC001138837653 1377793374 /nfs/dbraw/zinc/79/33/74/1377793374.db2.gz WISVAMRVEXGPRK-UHFFFAOYSA-N 1 2 331.803 3.100 20 30 EGEDLO N#Cc1cccc(N2CC[NH+](Cc3ccccc3OC(F)F)CC2)c1 ZINC001138912256 1377802721 /nfs/dbraw/zinc/80/27/21/1377802721.db2.gz KDYLBEJACLAYPO-UHFFFAOYSA-N 1 2 343.377 3.482 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001139649524 1377926523 /nfs/dbraw/zinc/92/65/23/1377926523.db2.gz MNIDONVNDIOZAZ-CJNGLKHVSA-N 1 2 347.434 3.432 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001139649524 1377926524 /nfs/dbraw/zinc/92/65/24/1377926524.db2.gz MNIDONVNDIOZAZ-CJNGLKHVSA-N 1 2 347.434 3.432 20 30 EGEDLO CC(=O)N(C(C)C)C1CC[NH+](Cc2cccc(Cl)c2C#N)CC1 ZINC001139692633 1377936380 /nfs/dbraw/zinc/93/63/80/1377936380.db2.gz BZOZMKYJQALPEC-UHFFFAOYSA-N 1 2 333.863 3.433 20 30 EGEDLO Cc1ccnc(O[C@H]2CCC[N@H+](Cc3cccc(Cl)c3C#N)C2)n1 ZINC001139692780 1377936399 /nfs/dbraw/zinc/93/63/99/1377936399.db2.gz IZRDXBXGZJNOCS-HNNXBMFYSA-N 1 2 342.830 3.354 20 30 EGEDLO Cc1ccnc(O[C@H]2CCC[N@@H+](Cc3cccc(Cl)c3C#N)C2)n1 ZINC001139692780 1377936400 /nfs/dbraw/zinc/93/64/00/1377936400.db2.gz IZRDXBXGZJNOCS-HNNXBMFYSA-N 1 2 342.830 3.354 20 30 EGEDLO C=CCn1cc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)cn1 ZINC001139767919 1377948249 /nfs/dbraw/zinc/94/82/49/1377948249.db2.gz DXVOJONNUPWLNH-XUVXKRRUSA-N 1 2 345.487 3.008 20 30 EGEDLO C=CCn1cc(C[N@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)cn1 ZINC001139767919 1377948250 /nfs/dbraw/zinc/94/82/50/1377948250.db2.gz DXVOJONNUPWLNH-XUVXKRRUSA-N 1 2 345.487 3.008 20 30 EGEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cc3ccccc3cn1)CC2 ZINC001139997808 1377989797 /nfs/dbraw/zinc/98/97/97/1377989797.db2.gz NZFYEXOYPWWNTG-UHFFFAOYSA-N 1 2 348.450 3.229 20 30 EGEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cc3ccccc3cn1)CC2 ZINC001139997808 1377989798 /nfs/dbraw/zinc/98/97/98/1377989798.db2.gz NZFYEXOYPWWNTG-UHFFFAOYSA-N 1 2 348.450 3.229 20 30 EGEDLO C[N@H+](CC(=O)OCc1ccccc1)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140117030 1378011492 /nfs/dbraw/zinc/01/14/92/1378011492.db2.gz KOZWDGVCEHBJMP-UHFFFAOYSA-N 1 2 333.391 3.215 20 30 EGEDLO C[N@@H+](CC(=O)OCc1ccccc1)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140117030 1378011493 /nfs/dbraw/zinc/01/14/93/1378011493.db2.gz KOZWDGVCEHBJMP-UHFFFAOYSA-N 1 2 333.391 3.215 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3ccccc3C(F)(F)F)CC2)cn1 ZINC001140546227 1378083091 /nfs/dbraw/zinc/08/30/91/1378083091.db2.gz ACMPNPGAZKUDJX-UHFFFAOYSA-N 1 2 346.356 3.294 20 30 EGEDLO N#Cc1c(F)cc(C[NH+]2CCC(Oc3ccc(F)cn3)CC2)cc1F ZINC001140755475 1378130701 /nfs/dbraw/zinc/13/07/01/1378130701.db2.gz HCNVMUVFYVXEOM-UHFFFAOYSA-N 1 2 347.340 3.414 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1ccc(F)cc1C#N ZINC001141163955 1378256518 /nfs/dbraw/zinc/25/65/18/1378256518.db2.gz XECPCYLHMOORDC-DLBZAZTESA-N 1 2 345.418 3.281 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1ccc(F)cc1C#N ZINC001141163955 1378256526 /nfs/dbraw/zinc/25/65/26/1378256526.db2.gz XECPCYLHMOORDC-DLBZAZTESA-N 1 2 345.418 3.281 20 30 EGEDLO Cn1ncc2c1CC[N@H+](Cc1ccc(C#Cc3ccccc3)s1)C2 ZINC001141977696 1378400199 /nfs/dbraw/zinc/40/01/99/1378400199.db2.gz NXGAIMIBYCUREV-UHFFFAOYSA-N 1 2 333.460 3.440 20 30 EGEDLO Cn1ncc2c1CC[N@@H+](Cc1ccc(C#Cc3ccccc3)s1)C2 ZINC001141977696 1378400200 /nfs/dbraw/zinc/40/02/00/1378400200.db2.gz NXGAIMIBYCUREV-UHFFFAOYSA-N 1 2 333.460 3.440 20 30 EGEDLO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccc(Cl)nn3)C2)c1 ZINC001142073137 1378410788 /nfs/dbraw/zinc/41/07/88/1378410788.db2.gz BPIKYMVIIZAQOB-MRXNPFEDSA-N 1 2 328.803 3.045 20 30 EGEDLO N#Cc1cccc(O[C@@H]2CCC[N@H+](Cc3ccc(Cl)nn3)C2)c1 ZINC001142073137 1378410790 /nfs/dbraw/zinc/41/07/90/1378410790.db2.gz BPIKYMVIIZAQOB-MRXNPFEDSA-N 1 2 328.803 3.045 20 30 EGEDLO C[NH+](C)[C@@H](CNC(=O)C(C)(C)C#N)c1ccc(Cl)cc1Cl ZINC001143404447 1378593538 /nfs/dbraw/zinc/59/35/38/1378593538.db2.gz ITENOIQJJRSTAT-ZDUSSCGKSA-N 1 2 328.243 3.262 20 30 EGEDLO Cc1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc(F)c1F ZINC001143591539 1378622383 /nfs/dbraw/zinc/62/23/83/1378622383.db2.gz HXJRUBVBUXZRBX-UHFFFAOYSA-N 1 2 327.378 3.467 20 30 EGEDLO Cc1cc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)cc(F)c1F ZINC001143607004 1378623929 /nfs/dbraw/zinc/62/39/29/1378623929.db2.gz KYAJKCHFLOGPFR-UHFFFAOYSA-N 1 2 327.378 3.467 20 30 EGEDLO C#CC[N@@H+](C)Cc1ccc(Br)cc1SC(=O)N(C)C ZINC001143775113 1378645105 /nfs/dbraw/zinc/64/51/05/1378645105.db2.gz RXCPHOMMPHDIOU-UHFFFAOYSA-N 1 2 341.274 3.288 20 30 EGEDLO C#CC[N@H+](C)Cc1ccc(Br)cc1SC(=O)N(C)C ZINC001143775113 1378645111 /nfs/dbraw/zinc/64/51/11/1378645111.db2.gz RXCPHOMMPHDIOU-UHFFFAOYSA-N 1 2 341.274 3.288 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1n[nH]c3ccc(F)cc31)C2 ZINC001144197605 1378696739 /nfs/dbraw/zinc/69/67/39/1378696739.db2.gz VFGLJFLTMWVMIQ-DNVCBOLYSA-N 1 2 345.418 3.028 20 30 EGEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1n[nH]c3ccc(F)cc31)C2 ZINC001144197605 1378696744 /nfs/dbraw/zinc/69/67/44/1378696744.db2.gz VFGLJFLTMWVMIQ-DNVCBOLYSA-N 1 2 345.418 3.028 20 30 EGEDLO N#Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(OCC(F)(F)F)nc1)C2 ZINC001144345498 1378718611 /nfs/dbraw/zinc/71/86/11/1378718611.db2.gz NYPAHCVWNOVFEG-UHFFFAOYSA-N 1 2 347.340 3.453 20 30 EGEDLO N#Cc1ccc2c(c1)CC[N@H+](Cc1ccc(OCC(F)(F)F)nc1)C2 ZINC001144345498 1378718612 /nfs/dbraw/zinc/71/86/12/1378718612.db2.gz NYPAHCVWNOVFEG-UHFFFAOYSA-N 1 2 347.340 3.453 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C(C)C)o1)C2 ZINC001147653088 1379056467 /nfs/dbraw/zinc/05/64/67/1379056467.db2.gz XRAXKJHSWRLLOM-UHFFFAOYSA-N 1 2 345.487 3.435 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C(C)C)o1)C2 ZINC001147653088 1379056472 /nfs/dbraw/zinc/05/64/72/1379056472.db2.gz XRAXKJHSWRLLOM-UHFFFAOYSA-N 1 2 345.487 3.435 20 30 EGEDLO C=CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1cc(C(C)(C)C)on1)C2 ZINC001148193646 1379131375 /nfs/dbraw/zinc/13/13/75/1379131375.db2.gz BIMMWFKVTBXWIS-UHFFFAOYSA-N 1 2 345.487 3.363 20 30 EGEDLO C=CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1cc(C(C)(C)C)on1)C2 ZINC001148193646 1379131376 /nfs/dbraw/zinc/13/13/76/1379131376.db2.gz BIMMWFKVTBXWIS-UHFFFAOYSA-N 1 2 345.487 3.363 20 30 EGEDLO C=CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C(C)C)o1)C2 ZINC001148199439 1379132962 /nfs/dbraw/zinc/13/29/62/1379132962.db2.gz DVUKMLDECHBHPU-UHFFFAOYSA-N 1 2 331.460 3.189 20 30 EGEDLO C=CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C(C)C)o1)C2 ZINC001148199439 1379132963 /nfs/dbraw/zinc/13/29/63/1379132963.db2.gz DVUKMLDECHBHPU-UHFFFAOYSA-N 1 2 331.460 3.189 20 30 EGEDLO CC(C)Oc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C#N ZINC001148771798 1379265771 /nfs/dbraw/zinc/26/57/71/1379265771.db2.gz GXHAIIZDFZILRO-HNNXBMFYSA-N 1 2 338.411 3.088 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1C[N@H+](CC=C(Cl)Cl)CCCO1 ZINC001150246289 1379522159 /nfs/dbraw/zinc/52/21/59/1379522159.db2.gz DLSCNNWDNWLMJK-XJKSGUPXSA-N 1 2 349.302 3.115 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1C[N@@H+](CC=C(Cl)Cl)CCCO1 ZINC001150246289 1379522160 /nfs/dbraw/zinc/52/21/60/1379522160.db2.gz DLSCNNWDNWLMJK-XJKSGUPXSA-N 1 2 349.302 3.115 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C)CC2CCCC2)C1 ZINC001150402735 1379546417 /nfs/dbraw/zinc/54/64/17/1379546417.db2.gz FDSJFKAVEFMHOQ-PBHICJAKSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C)CC2CCCC2)C1 ZINC001150402735 1379546423 /nfs/dbraw/zinc/54/64/23/1379546423.db2.gz FDSJFKAVEFMHOQ-PBHICJAKSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](F)CCCCCC)C1 ZINC001150589018 1379574401 /nfs/dbraw/zinc/57/44/01/1379574401.db2.gz SJCXLMSOXOSYMQ-CVEARBPZSA-N 1 2 348.890 3.255 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H](F)CCCCCC)C1 ZINC001150589018 1379574402 /nfs/dbraw/zinc/57/44/02/1379574402.db2.gz SJCXLMSOXOSYMQ-CVEARBPZSA-N 1 2 348.890 3.255 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C[C@@H](C)C(C)(C)C)C1 ZINC001150640232 1379584286 /nfs/dbraw/zinc/58/42/86/1379584286.db2.gz NGVZTNOASPZSET-HIFRSBDPSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C[C@@H](C)C(C)(C)C)C1 ZINC001150640232 1379584281 /nfs/dbraw/zinc/58/42/81/1379584281.db2.gz NGVZTNOASPZSET-HIFRSBDPSA-N 1 2 330.900 3.018 20 30 EGEDLO CCCCCCCC[C@H](C)C(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001151848543 1379799051 /nfs/dbraw/zinc/79/90/51/1379799051.db2.gz PRNSGMUIDIHORI-INIZCTEOSA-N 1 2 334.508 3.378 20 30 EGEDLO C=CCC1(C(=O)NCC[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)CCCC1 ZINC001153809781 1380133498 /nfs/dbraw/zinc/13/34/98/1380133498.db2.gz YLPFDCGXBVNQGA-AWEZNQCLSA-N 1 2 348.491 3.270 20 30 EGEDLO C=CC[C@@H](NC(=O)c1nc2c(s1)C[N@H+](C)CC2)c1ccccc1 ZINC001154223014 1380232502 /nfs/dbraw/zinc/23/25/02/1380232502.db2.gz CDPMXFWUCMLDDN-CQSZACIVSA-N 1 2 327.453 3.178 20 30 EGEDLO C=CC[C@@H](NC(=O)c1nc2c(s1)C[N@@H+](C)CC2)c1ccccc1 ZINC001154223014 1380232503 /nfs/dbraw/zinc/23/25/03/1380232503.db2.gz CDPMXFWUCMLDDN-CQSZACIVSA-N 1 2 327.453 3.178 20 30 EGEDLO C=CCCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2nc(C)oc2C)CC1 ZINC001155037572 1380396524 /nfs/dbraw/zinc/39/65/24/1380396524.db2.gz WWHUFZLONFMJDT-CQSZACIVSA-N 1 2 333.476 3.364 20 30 EGEDLO C=CCCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2nc(C)oc2C)CC1 ZINC001155037572 1380396527 /nfs/dbraw/zinc/39/65/27/1380396527.db2.gz WWHUFZLONFMJDT-CQSZACIVSA-N 1 2 333.476 3.364 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001155735223 1380488327 /nfs/dbraw/zinc/48/83/27/1380488327.db2.gz FEKOZWKJCPMJMH-VHDGCEQUSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001155735223 1380488328 /nfs/dbraw/zinc/48/83/28/1380488328.db2.gz FEKOZWKJCPMJMH-VHDGCEQUSA-N 1 2 343.309 3.158 20 30 EGEDLO Cc1cc(NCCSCc2csc(C[NH+](C)C)n2)ncc1C#N ZINC001157336548 1380844492 /nfs/dbraw/zinc/84/44/92/1380844492.db2.gz MQOORFRFINUPOF-UHFFFAOYSA-N 1 2 347.513 3.125 20 30 EGEDLO C=CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC001157706060 1381009107 /nfs/dbraw/zinc/00/91/07/1381009107.db2.gz UJSHQTZAFZODQN-MRXNPFEDSA-N 1 2 331.460 3.331 20 30 EGEDLO C=CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(C2CC2)o1 ZINC001157706060 1381009113 /nfs/dbraw/zinc/00/91/13/1381009113.db2.gz UJSHQTZAFZODQN-MRXNPFEDSA-N 1 2 331.460 3.331 20 30 EGEDLO Cc1nc(C[N@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)(C)C)c(C)o1 ZINC001157965103 1381083847 /nfs/dbraw/zinc/08/38/47/1381083847.db2.gz NUFJRQPVUYZCCZ-QGZVFWFLSA-N 1 2 345.487 3.154 20 30 EGEDLO Cc1nc(C[N@@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)(C)C)c(C)o1 ZINC001157965103 1381083850 /nfs/dbraw/zinc/08/38/50/1381083850.db2.gz NUFJRQPVUYZCCZ-QGZVFWFLSA-N 1 2 345.487 3.154 20 30 EGEDLO N#Cc1cc(Cl)nc(C(F)(F)NCCc2cn3ccccc3[nH+]2)c1 ZINC001158145541 1381140651 /nfs/dbraw/zinc/14/06/51/1381140651.db2.gz QNTFUYQZYZLFGS-UHFFFAOYSA-N 1 2 347.756 3.136 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cc(C)n(C)n1 ZINC001158370696 1381221828 /nfs/dbraw/zinc/22/18/28/1381221828.db2.gz ZOFRJAYDORYYOE-QFBILLFUSA-N 1 2 346.519 3.144 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cc(C)n(C)n1 ZINC001158370696 1381221833 /nfs/dbraw/zinc/22/18/33/1381221833.db2.gz ZOFRJAYDORYYOE-QFBILLFUSA-N 1 2 346.519 3.144 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)CC(C)(C)C)CC1 ZINC001159260988 1381745723 /nfs/dbraw/zinc/74/57/23/1381745723.db2.gz VCPNLVFVKSBPSO-UHFFFAOYSA-N 1 2 343.309 3.470 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)CC(C)(C)C)CC1 ZINC001159260988 1381745728 /nfs/dbraw/zinc/74/57/28/1381745728.db2.gz VCPNLVFVKSBPSO-UHFFFAOYSA-N 1 2 343.309 3.470 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nc(C)no2)CC1 ZINC001160990461 1382263106 /nfs/dbraw/zinc/26/31/06/1382263106.db2.gz AUADYELFULIXJN-CABCVRRESA-N 1 2 346.475 3.180 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@H+]([C@@H](C)c2nc(C)no2)CC1 ZINC001160990461 1382263109 /nfs/dbraw/zinc/26/31/09/1382263109.db2.gz AUADYELFULIXJN-CABCVRRESA-N 1 2 346.475 3.180 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@H+](Cc2ncc(C)cn2)CC1 ZINC001160990448 1382263326 /nfs/dbraw/zinc/26/33/26/1382263326.db2.gz APWHKKQVIBQCFW-QGZVFWFLSA-N 1 2 342.487 3.026 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@@H+](Cc2ncc(C)cn2)CC1 ZINC001160990448 1382263329 /nfs/dbraw/zinc/26/33/29/1382263329.db2.gz APWHKKQVIBQCFW-QGZVFWFLSA-N 1 2 342.487 3.026 20 30 EGEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CC2(C#N)CCCCC2)C1 ZINC001328584532 1388781275 /nfs/dbraw/zinc/78/12/75/1388781275.db2.gz QKTWPFVEUMAUNJ-INIZCTEOSA-N 1 2 328.460 3.065 20 30 EGEDLO N#Cc1ccc(F)c(CNC(=O)c2c[nH+]ccc2Nc2ccccc2)c1 ZINC001293985276 1382402716 /nfs/dbraw/zinc/40/27/16/1382402716.db2.gz CPEKBOBFVVUNJE-UHFFFAOYSA-N 1 2 346.365 3.188 20 30 EGEDLO COc1ccc(Cn2c[nH+]cc2CNc2ccc(C#N)c(C)n2)cc1 ZINC001161510457 1382426589 /nfs/dbraw/zinc/42/65/89/1382426589.db2.gz MAVORNGQKKLQPH-UHFFFAOYSA-N 1 2 333.395 3.127 20 30 EGEDLO N#CCc1cc[nH+]c(NCc2ccnc(N3CCCCCC3=O)c2)c1 ZINC001162083251 1382623362 /nfs/dbraw/zinc/62/33/62/1382623362.db2.gz KUMJXYHQZWVFQB-UHFFFAOYSA-N 1 2 335.411 3.062 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC[NH2+]Cc1noc(C2CCCCC2)n1 ZINC001164324094 1383177474 /nfs/dbraw/zinc/17/74/74/1383177474.db2.gz OZBSLKLOGYHMQH-OAHLLOKOSA-N 1 2 348.491 3.316 20 30 EGEDLO N#CC[C@H]1CCCN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C1 ZINC001165074102 1383222343 /nfs/dbraw/zinc/22/23/43/1383222343.db2.gz KHLJKSJXPQJHHT-GOSISDBHSA-N 1 2 347.466 3.165 20 30 EGEDLO N#CC[C@H]1CCCN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C1 ZINC001165074102 1383222346 /nfs/dbraw/zinc/22/23/46/1383222346.db2.gz KHLJKSJXPQJHHT-GOSISDBHSA-N 1 2 347.466 3.165 20 30 EGEDLO N#Cc1ccc2cc[nH+]c(N3CCC(C(=O)C(F)(F)F)CC3)c2c1 ZINC001166717844 1383466367 /nfs/dbraw/zinc/46/63/67/1383466367.db2.gz IASJECIDZKYYTB-UHFFFAOYSA-N 1 2 333.313 3.454 20 30 EGEDLO N#Cc1ccc2cc[nH+]c(N3CCO[C@@H](COc4ccccc4)C3)c2c1 ZINC001167156048 1383553327 /nfs/dbraw/zinc/55/33/27/1383553327.db2.gz WEELEAHDFUUTAT-LJQANCHMSA-N 1 2 345.402 3.391 20 30 EGEDLO COc1cccc(-c2nnc(C[NH2+][C@H](C)c3ccc(C#N)cc3)o2)c1 ZINC001307762257 1384027684 /nfs/dbraw/zinc/02/76/84/1384027684.db2.gz MTANLYZIWWYYEW-CYBMUJFWSA-N 1 2 334.379 3.468 20 30 EGEDLO N#Cc1cc(NCCc2cn3ccccc3[nH+]2)nc(C(F)(F)F)c1 ZINC001169002171 1384083913 /nfs/dbraw/zinc/08/39/13/1384083913.db2.gz ITIAUVFOKXGPCE-UHFFFAOYSA-N 1 2 331.301 3.274 20 30 EGEDLO N#Cc1ncc(NCCc2cn3ccccc3[nH+]2)cc1C(F)(F)F ZINC001169003243 1384085068 /nfs/dbraw/zinc/08/50/68/1384085068.db2.gz BFZLUJJCENOAMB-UHFFFAOYSA-N 1 2 331.301 3.274 20 30 EGEDLO COC(=O)c1ccc(C(=[NH2+])Nc2cc(Cl)nc3cnccc32)cc1 ZINC001170988380 1384425442 /nfs/dbraw/zinc/42/54/42/1384425442.db2.gz QINCVLYNLIHMSZ-UHFFFAOYSA-N 1 2 340.770 3.107 20 30 EGEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001171202525 1384467238 /nfs/dbraw/zinc/46/72/38/1384467238.db2.gz CTRWLLJJROVCKX-COXVUDFISA-N 1 2 347.434 3.036 20 30 EGEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001171202525 1384467241 /nfs/dbraw/zinc/46/72/41/1384467241.db2.gz CTRWLLJJROVCKX-COXVUDFISA-N 1 2 347.434 3.036 20 30 EGEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCc2c(C)cccc2C1 ZINC001171563080 1384563648 /nfs/dbraw/zinc/56/36/48/1384563648.db2.gz DHZGRTFMZJWKQK-CTNGQTDRSA-N 1 2 348.446 3.098 20 30 EGEDLO COC(=O)[C@H](CCc1ccccc1)[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172301293 1384763734 /nfs/dbraw/zinc/76/37/34/1384763734.db2.gz MCIQVDBXFKQKRQ-UZLBHIALSA-N 1 2 336.435 3.253 20 30 EGEDLO C=CCOC(=O)CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)C(=O)OCC=C ZINC001172364954 1384777598 /nfs/dbraw/zinc/77/75/98/1384777598.db2.gz BGUFBZGDWFCAIL-TWMKSMIVSA-N 1 2 337.460 3.008 20 30 EGEDLO Nc1ccccc1C(NO)=[NH+]c1cccc(O[C@H]2CCCCO2)c1 ZINC001175189279 1385215305 /nfs/dbraw/zinc/21/53/05/1385215305.db2.gz DEXHTSIWWIFNLG-KRWDZBQOSA-N 1 2 327.384 3.231 20 30 EGEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)c1oc(C)cc1C ZINC001317539291 1385273218 /nfs/dbraw/zinc/27/32/18/1385273218.db2.gz VHCSKITWAVLSLY-UHFFFAOYSA-N 1 2 343.265 3.247 20 30 EGEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1oc(C)cc1C ZINC001317539291 1385273219 /nfs/dbraw/zinc/27/32/19/1385273219.db2.gz VHCSKITWAVLSLY-UHFFFAOYSA-N 1 2 343.265 3.247 20 30 EGEDLO CC1(C(=O)NCC[N@H+](Cc2cc(C#N)ccc2F)C2CC2)CCCC1 ZINC001317554439 1385319901 /nfs/dbraw/zinc/31/99/01/1385319901.db2.gz JLAIVPYCQQBHCU-UHFFFAOYSA-N 1 2 343.446 3.358 20 30 EGEDLO CC1(C(=O)NCC[N@@H+](Cc2cc(C#N)ccc2F)C2CC2)CCCC1 ZINC001317554439 1385319904 /nfs/dbraw/zinc/31/99/04/1385319904.db2.gz JLAIVPYCQQBHCU-UHFFFAOYSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(F)c(F)c1NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176966910 1385757529 /nfs/dbraw/zinc/75/75/29/1385757529.db2.gz DDGQHEASXGEXEE-CYBMUJFWSA-N 1 2 342.349 3.087 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCCCCC(C)C)C[C@H]21 ZINC001177100638 1385811472 /nfs/dbraw/zinc/81/14/72/1385811472.db2.gz GZGZTTZUTDETJN-RTBURBONSA-N 1 2 336.520 3.471 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCCCC(C)C)C[C@H]21 ZINC001177100638 1385811477 /nfs/dbraw/zinc/81/14/77/1385811477.db2.gz GZGZTTZUTDETJN-RTBURBONSA-N 1 2 336.520 3.471 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2OCC[N@H+](CC3=CCCCC3)[C@H]2C1 ZINC001177107418 1385814819 /nfs/dbraw/zinc/81/48/19/1385814819.db2.gz RJQJGXWIFHAHRB-RBUKOAKNSA-N 1 2 346.515 3.391 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2OCC[N@@H+](CC3=CCCCC3)[C@H]2C1 ZINC001177107418 1385814821 /nfs/dbraw/zinc/81/48/21/1385814821.db2.gz RJQJGXWIFHAHRB-RBUKOAKNSA-N 1 2 346.515 3.391 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]3OCC[N@@H+](CC(=C)C)[C@@H]3C2)CCCC1 ZINC001177163494 1385840052 /nfs/dbraw/zinc/84/00/52/1385840052.db2.gz UFBUGZIHFWPISD-QZTJIDSGSA-N 1 2 332.488 3.001 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@H]3OCC[N@H+](CC(=C)C)[C@@H]3C2)CCCC1 ZINC001177163494 1385840057 /nfs/dbraw/zinc/84/00/57/1385840057.db2.gz UFBUGZIHFWPISD-QZTJIDSGSA-N 1 2 332.488 3.001 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]3OCC[N@@H+](CC=C(C)C)[C@@H]3C2)CCCC1 ZINC001177161686 1385840906 /nfs/dbraw/zinc/84/09/06/1385840906.db2.gz FQWIWTVIUDMVAW-MOPGFXCFSA-N 1 2 346.515 3.391 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]3OCC[N@H+](CC=C(C)C)[C@@H]3C2)CCCC1 ZINC001177161686 1385840911 /nfs/dbraw/zinc/84/09/11/1385840911.db2.gz FQWIWTVIUDMVAW-MOPGFXCFSA-N 1 2 346.515 3.391 20 30 EGEDLO C[C@H](C#N)C(=O)N1CC[NH+]=C1CN(Cc1ccccc1)c1ccccc1 ZINC001179901385 1386622667 /nfs/dbraw/zinc/62/26/67/1386622667.db2.gz LQUMXAYLJQWAFC-QGZVFWFLSA-N 1 2 346.434 3.094 20 30 EGEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC001322044808 1387038762 /nfs/dbraw/zinc/03/87/62/1387038762.db2.gz UOFWOIMIHPEMKR-LBPRGKRZSA-N 1 2 338.436 3.183 20 30 EGEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC001322044808 1387038766 /nfs/dbraw/zinc/03/87/66/1387038766.db2.gz UOFWOIMIHPEMKR-LBPRGKRZSA-N 1 2 338.436 3.183 20 30 EGEDLO C#CCOc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)c1 ZINC001322666938 1387221807 /nfs/dbraw/zinc/22/18/07/1387221807.db2.gz VWGXLWIXNPUYLY-FQEVSTJZSA-N 1 2 349.434 3.087 20 30 EGEDLO C#CCOc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)c1 ZINC001322666938 1387221808 /nfs/dbraw/zinc/22/18/08/1387221808.db2.gz VWGXLWIXNPUYLY-FQEVSTJZSA-N 1 2 349.434 3.087 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1csc(CC(C)C)n1 ZINC001329628498 1389193410 /nfs/dbraw/zinc/19/34/10/1389193410.db2.gz RXNFKTVKTBLVTO-LBPRGKRZSA-N 1 2 329.897 3.144 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1csc(CC(C)C)n1 ZINC001329628498 1389193415 /nfs/dbraw/zinc/19/34/15/1389193415.db2.gz RXNFKTVKTBLVTO-LBPRGKRZSA-N 1 2 329.897 3.144 20 30 EGEDLO C=CCn1cnn(C[N@@H+](C)CCCc2ccc(OC)cc2)c1=S ZINC001337672602 1389414188 /nfs/dbraw/zinc/41/41/88/1389414188.db2.gz UBOQIEOJMLIZJP-UHFFFAOYSA-N 1 2 332.473 3.131 20 30 EGEDLO C=CCn1cnn(C[N@H+](C)CCCc2ccc(OC)cc2)c1=S ZINC001337672602 1389414196 /nfs/dbraw/zinc/41/41/96/1389414196.db2.gz UBOQIEOJMLIZJP-UHFFFAOYSA-N 1 2 332.473 3.131 20 30 EGEDLO CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)C[C@H](C)C#N ZINC001341021827 1390426856 /nfs/dbraw/zinc/42/68/56/1390426856.db2.gz MVHVOELGHPXVBG-HZPDHXFCSA-N 1 2 340.475 3.087 20 30 EGEDLO CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)C[C@H](C)C#N ZINC001341021827 1390426857 /nfs/dbraw/zinc/42/68/57/1390426857.db2.gz MVHVOELGHPXVBG-HZPDHXFCSA-N 1 2 340.475 3.087 20 30 EGEDLO C#CCCOc1ccc(C(=O)OCCc2cn3c([nH+]2)CCCC3)cc1 ZINC001343656497 1390729140 /nfs/dbraw/zinc/72/91/40/1390729140.db2.gz GSQSAOGOGOHQOO-UHFFFAOYSA-N 1 2 338.407 3.021 20 30 EGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(C#N)cc2F)CC1 ZINC001346994259 1390991546 /nfs/dbraw/zinc/99/15/46/1390991546.db2.gz YYOJNHCMYFIQPQ-CYBMUJFWSA-N 1 2 343.427 3.278 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1ccccc1 ZINC001351615586 1391657750 /nfs/dbraw/zinc/65/77/50/1391657750.db2.gz KMRDDWJDUXGAAY-KRWDZBQOSA-N 1 2 325.460 3.257 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)Cc1ccccc1 ZINC001351615586 1391657753 /nfs/dbraw/zinc/65/77/53/1391657753.db2.gz KMRDDWJDUXGAAY-KRWDZBQOSA-N 1 2 325.460 3.257 20 30 EGEDLO C[N@H+](CCNC(=O)[C@H](c1ccccc1)C1CC1)Cc1ccccc1C#N ZINC001480890417 1393002074 /nfs/dbraw/zinc/00/20/74/1393002074.db2.gz CKKFIEHXHPLKJC-OAQYLSRUSA-N 1 2 347.462 3.300 20 30 EGEDLO C[N@@H+](CCNC(=O)[C@H](c1ccccc1)C1CC1)Cc1ccccc1C#N ZINC001480890417 1393002075 /nfs/dbraw/zinc/00/20/75/1393002075.db2.gz CKKFIEHXHPLKJC-OAQYLSRUSA-N 1 2 347.462 3.300 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1coc(C2CCCCC2)n1 ZINC001480954920 1393045481 /nfs/dbraw/zinc/04/54/81/1393045481.db2.gz QLBNAYWNAVHSOR-UHFFFAOYSA-N 1 2 325.840 3.136 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1coc(C2CCCCC2)n1 ZINC001480954920 1393045486 /nfs/dbraw/zinc/04/54/86/1393045486.db2.gz QLBNAYWNAVHSOR-UHFFFAOYSA-N 1 2 325.840 3.136 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cccc3cn[nH]c32)C1 ZINC001481404243 1394256345 /nfs/dbraw/zinc/25/63/45/1394256345.db2.gz KZEJGXIAUKEVNW-HNNXBMFYSA-N 1 2 346.862 3.242 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cccc3cn[nH]c32)C1 ZINC001481404243 1394256350 /nfs/dbraw/zinc/25/63/50/1394256350.db2.gz KZEJGXIAUKEVNW-HNNXBMFYSA-N 1 2 346.862 3.242 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cccc3c[nH]nc32)C1 ZINC001481404243 1394256352 /nfs/dbraw/zinc/25/63/52/1394256352.db2.gz KZEJGXIAUKEVNW-HNNXBMFYSA-N 1 2 346.862 3.242 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cccc3c[nH]nc32)C1 ZINC001481404243 1394256359 /nfs/dbraw/zinc/25/63/59/1394256359.db2.gz KZEJGXIAUKEVNW-HNNXBMFYSA-N 1 2 346.862 3.242 20 30 EGEDLO CCC(CC)(CC)C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001481652715 1394433032 /nfs/dbraw/zinc/43/30/32/1394433032.db2.gz UFPRGQHIRZMATF-UHFFFAOYSA-N 1 2 345.462 3.462 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)Cc2ccc(F)c(F)c2)C1 ZINC001481773545 1394518035 /nfs/dbraw/zinc/51/80/35/1394518035.db2.gz XHEGDVZWUNHIEF-CQSZACIVSA-N 1 2 342.817 3.183 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)Cc2ccc(F)c(F)c2)C1 ZINC001481773545 1394518038 /nfs/dbraw/zinc/51/80/38/1394518038.db2.gz XHEGDVZWUNHIEF-CQSZACIVSA-N 1 2 342.817 3.183 20 30 EGEDLO C[N@H+](CCNC(=O)C1CCC2(CC2)CC1)Cc1ccc(C#N)cc1F ZINC001690963219 1404870004 /nfs/dbraw/zinc/87/00/04/1404870004.db2.gz QSTKOVLSQGPLMH-UHFFFAOYSA-N 1 2 343.446 3.216 20 30 EGEDLO C[N@@H+](CCNC(=O)C1CCC2(CC2)CC1)Cc1ccc(C#N)cc1F ZINC001690963219 1404870008 /nfs/dbraw/zinc/87/00/08/1404870008.db2.gz QSTKOVLSQGPLMH-UHFFFAOYSA-N 1 2 343.446 3.216 20 30 EGEDLO CC[C@H]1CC[C@H](C(=O)NCC[N@H+](C)Cc2ccccc2C#N)CC1 ZINC001690990194 1404908584 /nfs/dbraw/zinc/90/85/84/1404908584.db2.gz UTUYXGIFDXEXPW-QAQDUYKDSA-N 1 2 327.472 3.323 20 30 EGEDLO CC[C@H]1CC[C@H](C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)CC1 ZINC001690990194 1404908586 /nfs/dbraw/zinc/90/85/86/1404908586.db2.gz UTUYXGIFDXEXPW-QAQDUYKDSA-N 1 2 327.472 3.323 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(CCC)C(=O)C2=CCCC2)C1 ZINC001691849239 1405565083 /nfs/dbraw/zinc/56/50/83/1405565083.db2.gz NXBFMVIDSWSOGT-HNNXBMFYSA-N 1 2 341.293 3.318 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CCC)C(=O)C2=CCCC2)C1 ZINC001691849239 1405565087 /nfs/dbraw/zinc/56/50/87/1405565087.db2.gz NXBFMVIDSWSOGT-HNNXBMFYSA-N 1 2 341.293 3.318 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ncc(Cl)cc1Cl ZINC001731813602 1428003301 /nfs/dbraw/zinc/00/33/01/1428003301.db2.gz ZKKLWWLTQYBEJO-UHFFFAOYSA-N 1 2 336.650 3.193 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ncc(Cl)cc1Cl ZINC001731813602 1428003307 /nfs/dbraw/zinc/00/33/07/1428003307.db2.gz ZKKLWWLTQYBEJO-UHFFFAOYSA-N 1 2 336.650 3.193 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2nnc(-c3cccs3)o2)C1 ZINC001692392358 1405995069 /nfs/dbraw/zinc/99/50/69/1405995069.db2.gz VSZJWMNIJKAYCM-OLZOCXBDSA-N 1 2 346.456 3.016 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[N@H+]([C@H](C)c2nnc(-c3cccs3)o2)C1 ZINC001692392358 1405995071 /nfs/dbraw/zinc/99/50/71/1405995071.db2.gz VSZJWMNIJKAYCM-OLZOCXBDSA-N 1 2 346.456 3.016 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCc2ccc(C)s2)C1 ZINC001698555580 1406154301 /nfs/dbraw/zinc/15/43/01/1406154301.db2.gz OUEAVBHQUVACIW-CQSZACIVSA-N 1 2 326.893 3.322 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCc2ccc(C)s2)C1 ZINC001698555580 1406154298 /nfs/dbraw/zinc/15/42/98/1406154298.db2.gz OUEAVBHQUVACIW-CQSZACIVSA-N 1 2 326.893 3.322 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cc(C2CCCCC2)n[nH]1 ZINC001699446167 1412781107 /nfs/dbraw/zinc/78/11/07/1412781107.db2.gz KOYWNQYGYPPLHX-ZDUSSCGKSA-N 1 2 338.883 3.260 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cc(C2CCCCC2)n[nH]1 ZINC001699446167 1412781108 /nfs/dbraw/zinc/78/11/08/1412781108.db2.gz KOYWNQYGYPPLHX-ZDUSSCGKSA-N 1 2 338.883 3.260 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CCCc2cccs2)C1 ZINC001700549354 1414218990 /nfs/dbraw/zinc/21/89/90/1414218990.db2.gz FOHZQDQZHGDWJV-CYBMUJFWSA-N 1 2 326.893 3.260 20 30 EGEDLO CCC(C)(CC)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N ZINC001707064360 1417179417 /nfs/dbraw/zinc/17/94/17/1417179417.db2.gz XBAXNRUSMCMWPU-SFHVURJKSA-N 1 2 327.472 3.417 20 30 EGEDLO CCC(C)(CC)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccccc1C#N ZINC001707064360 1417179419 /nfs/dbraw/zinc/17/94/19/1417179419.db2.gz XBAXNRUSMCMWPU-SFHVURJKSA-N 1 2 327.472 3.417 20 30 EGEDLO CC(F)(F)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001713061653 1417618529 /nfs/dbraw/zinc/61/85/29/1417618529.db2.gz YDNAJXRXRPMCHB-INIZCTEOSA-N 1 2 335.398 3.074 20 30 EGEDLO CC(F)(F)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001713061653 1417618533 /nfs/dbraw/zinc/61/85/33/1417618533.db2.gz YDNAJXRXRPMCHB-INIZCTEOSA-N 1 2 335.398 3.074 20 30 EGEDLO C[C@H](C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F)C1CCCC1 ZINC001713473160 1418146295 /nfs/dbraw/zinc/14/62/95/1418146295.db2.gz JFYJWUHHKQXVMJ-AWEZNQCLSA-N 1 2 331.435 3.072 20 30 EGEDLO C[C@H](C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F)C1CCCC1 ZINC001713473160 1418146301 /nfs/dbraw/zinc/14/63/01/1418146301.db2.gz JFYJWUHHKQXVMJ-AWEZNQCLSA-N 1 2 331.435 3.072 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)CCC1CCC1 ZINC001713503416 1418223370 /nfs/dbraw/zinc/22/33/70/1418223370.db2.gz PWYOXAZPPXLJKE-AWEZNQCLSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCC1 ZINC001713503416 1418223369 /nfs/dbraw/zinc/22/33/69/1418223369.db2.gz PWYOXAZPPXLJKE-AWEZNQCLSA-N 1 2 329.282 3.056 20 30 EGEDLO CCC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1csc(C2CCCC2)n1 ZINC001714645182 1419419058 /nfs/dbraw/zinc/41/90/58/1419419058.db2.gz LJXXXVDRFIWPGE-AWEZNQCLSA-N 1 2 348.516 3.289 20 30 EGEDLO CCC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1csc(C2CCCC2)n1 ZINC001714645182 1419419062 /nfs/dbraw/zinc/41/90/62/1419419062.db2.gz LJXXXVDRFIWPGE-AWEZNQCLSA-N 1 2 348.516 3.289 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1ccc(C)c(Cl)c1 ZINC001715520671 1420207166 /nfs/dbraw/zinc/20/71/66/1420207166.db2.gz BGHVHSHKNJXZJV-UHFFFAOYSA-N 1 2 329.271 3.334 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1ccc(C)c(Cl)c1 ZINC001715520671 1420207168 /nfs/dbraw/zinc/20/71/68/1420207168.db2.gz BGHVHSHKNJXZJV-UHFFFAOYSA-N 1 2 329.271 3.334 20 30 EGEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1cc2ccccn2c1 ZINC001715957995 1420423893 /nfs/dbraw/zinc/42/38/93/1420423893.db2.gz LVFQTFKVYHMPDH-UHFFFAOYSA-N 1 2 346.434 3.015 20 30 EGEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1cc2ccccn2c1 ZINC001715957995 1420423894 /nfs/dbraw/zinc/42/38/94/1420423894.db2.gz LVFQTFKVYHMPDH-UHFFFAOYSA-N 1 2 346.434 3.015 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(CC)CC1 ZINC001717371823 1421310868 /nfs/dbraw/zinc/31/08/68/1421310868.db2.gz XBELPRRPTBIBGG-ZDUSSCGKSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)C1(CC)CC1 ZINC001717371823 1421310871 /nfs/dbraw/zinc/31/08/71/1421310871.db2.gz XBELPRRPTBIBGG-ZDUSSCGKSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1scnc1C(C)(C)C ZINC001725189397 1425730061 /nfs/dbraw/zinc/73/00/61/1425730061.db2.gz KLGXRLWOJYRMQB-NSHDSACASA-N 1 2 329.897 3.243 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1scnc1C(C)(C)C ZINC001725189397 1425730064 /nfs/dbraw/zinc/73/00/64/1425730064.db2.gz KLGXRLWOJYRMQB-NSHDSACASA-N 1 2 329.897 3.243 20 30 EGEDLO Cc1cc(C)c(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)c(C)c1 ZINC001731793884 1427941893 /nfs/dbraw/zinc/94/18/93/1427941893.db2.gz ATGJXOIJAVGJNU-UHFFFAOYSA-N 1 2 335.451 3.345 20 30 EGEDLO Cc1cc(C)c(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)c(C)c1 ZINC001731793884 1427941899 /nfs/dbraw/zinc/94/18/99/1427941899.db2.gz ATGJXOIJAVGJNU-UHFFFAOYSA-N 1 2 335.451 3.345 20 30 EGEDLO CCc1sc(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)cc1C ZINC001731794644 1427944104 /nfs/dbraw/zinc/94/41/04/1427944104.db2.gz ONURSJWMOGMAFP-UHFFFAOYSA-N 1 2 341.480 3.352 20 30 EGEDLO CCc1sc(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)cc1C ZINC001731794644 1427944112 /nfs/dbraw/zinc/94/41/12/1427944112.db2.gz ONURSJWMOGMAFP-UHFFFAOYSA-N 1 2 341.480 3.352 20 30 EGEDLO C[C@@H](C#N)C(=O)NCc1ccc2c(c1)C[N@@H+](Cc1cccc(F)c1)C2 ZINC001733836414 1430110143 /nfs/dbraw/zinc/11/01/43/1430110143.db2.gz SYOMMYQMOUTJKG-AWEZNQCLSA-N 1 2 337.398 3.117 20 30 EGEDLO C[C@@H](C#N)C(=O)NCc1ccc2c(c1)C[N@H+](Cc1cccc(F)c1)C2 ZINC001733836414 1430110147 /nfs/dbraw/zinc/11/01/47/1430110147.db2.gz SYOMMYQMOUTJKG-AWEZNQCLSA-N 1 2 337.398 3.117 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cc(C)n(C(CC)CC)n1 ZINC001734047149 1437835954 /nfs/dbraw/zinc/83/59/54/1437835954.db2.gz YKPSHCUZDXHASK-CQSZACIVSA-N 1 2 340.899 3.355 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cc(C)n(C(CC)CC)n1 ZINC001734047149 1437835957 /nfs/dbraw/zinc/83/59/57/1437835957.db2.gz YKPSHCUZDXHASK-CQSZACIVSA-N 1 2 340.899 3.355 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N(C)C1CC[NH+]([C@@H](C)c2nnc(CC)o2)CC1 ZINC001752303664 1440168440 /nfs/dbraw/zinc/16/84/40/1440168440.db2.gz FNYFWJYXVPEUBS-GJZGRUSLSA-N 1 2 348.491 3.218 20 30 EGEDLO C=CCC1(C(=O)N(C)C2CC[NH+](Cc3ncc(C)o3)CC2)CCC1 ZINC001752308669 1440169190 /nfs/dbraw/zinc/16/91/90/1440169190.db2.gz REKLZVJBSHYSLO-UHFFFAOYSA-N 1 2 331.460 3.152 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)c2nc(C3CC3)no2)C1 ZINC001752784726 1440210551 /nfs/dbraw/zinc/21/05/51/1440210551.db2.gz IHUSSPXKDYEMFF-KGLIPLIRSA-N 1 2 346.475 3.048 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+]([C@H](C)c2nc(C3CC3)no2)C1 ZINC001752784726 1440210552 /nfs/dbraw/zinc/21/05/52/1440210552.db2.gz IHUSSPXKDYEMFF-KGLIPLIRSA-N 1 2 346.475 3.048 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nc(C)oc1C ZINC001752822769 1440221640 /nfs/dbraw/zinc/22/16/40/1440221640.db2.gz ODBJZMZMRKCXTE-LPHOPBHVSA-N 1 2 333.476 3.364 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1nc(C)oc1C ZINC001752822769 1440221641 /nfs/dbraw/zinc/22/16/41/1440221641.db2.gz ODBJZMZMRKCXTE-LPHOPBHVSA-N 1 2 333.476 3.364 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1nnc(C2CC2)o1 ZINC001752827422 1440224171 /nfs/dbraw/zinc/22/41/71/1440224171.db2.gz IRUKGRDPJMJIPF-OAHLLOKOSA-N 1 2 346.475 3.020 20 30 EGEDLO C=CCC1(C(=O)NCCC[C@@H]2CCC[N@@H+]2Cc2cnsn2)CCC1 ZINC001753033782 1440273972 /nfs/dbraw/zinc/27/39/72/1440273972.db2.gz SNGNNKGWQBEUAZ-MRXNPFEDSA-N 1 2 348.516 3.145 20 30 EGEDLO C=CCC1(C(=O)NCCC[C@@H]2CCC[N@H+]2Cc2cnsn2)CCC1 ZINC001753033782 1440273973 /nfs/dbraw/zinc/27/39/73/1440273973.db2.gz SNGNNKGWQBEUAZ-MRXNPFEDSA-N 1 2 348.516 3.145 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1c(C)nn(C(C)(C)C)c1C ZINC001753083000 1440294865 /nfs/dbraw/zinc/29/48/65/1440294865.db2.gz VLAXEGGVZGLSQJ-UHFFFAOYSA-N 1 2 340.899 3.059 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1c(C)nn(C(C)(C)C)c1C ZINC001753083000 1440294866 /nfs/dbraw/zinc/29/48/66/1440294866.db2.gz VLAXEGGVZGLSQJ-UHFFFAOYSA-N 1 2 340.899 3.059 20 30 EGEDLO C=C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1nocc1C)c1ccccc1 ZINC001753114169 1440310440 /nfs/dbraw/zinc/31/04/40/1440310440.db2.gz CXVZNLWGDZMMDY-ROUUACIJSA-N 1 2 339.439 3.033 20 30 EGEDLO C=C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1nocc1C)c1ccccc1 ZINC001753114169 1440310441 /nfs/dbraw/zinc/31/04/41/1440310441.db2.gz CXVZNLWGDZMMDY-ROUUACIJSA-N 1 2 339.439 3.033 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+](CCNC(=O)CC2CCCC2)C2CC2)c1 ZINC001753152058 1440328852 /nfs/dbraw/zinc/32/88/52/1440328852.db2.gz VWICPQWJFFLKAU-UHFFFAOYSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+](CCNC(=O)CC2CCCC2)C2CC2)c1 ZINC001753152058 1440328853 /nfs/dbraw/zinc/32/88/53/1440328853.db2.gz VWICPQWJFFLKAU-UHFFFAOYSA-N 1 2 343.446 3.358 20 30 EGEDLO C=C[C@H](C(=O)NCC[N@@H+](Cc1conc1C)C1CC1)c1ccccc1 ZINC001753165001 1440335595 /nfs/dbraw/zinc/33/55/95/1440335595.db2.gz KYGQWPWSURKJQR-IBGZPJMESA-N 1 2 339.439 3.033 20 30 EGEDLO C=C[C@H](C(=O)NCC[N@H+](Cc1conc1C)C1CC1)c1ccccc1 ZINC001753165001 1440335596 /nfs/dbraw/zinc/33/55/96/1440335596.db2.gz KYGQWPWSURKJQR-IBGZPJMESA-N 1 2 339.439 3.033 20 30 EGEDLO CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(F)cc1 ZINC001753306271 1440355330 /nfs/dbraw/zinc/35/53/30/1440355330.db2.gz RGOUOIMFFROWTJ-BGYRXZFFSA-N 1 2 342.458 3.433 20 30 EGEDLO CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001753306271 1440355331 /nfs/dbraw/zinc/35/53/31/1440355331.db2.gz RGOUOIMFFROWTJ-BGYRXZFFSA-N 1 2 342.458 3.433 20 30 EGEDLO CC(C)(CC(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)C1CC1 ZINC001753402000 1440391238 /nfs/dbraw/zinc/39/12/38/1440391238.db2.gz YZBPCFMVWDRVCC-UHFFFAOYSA-N 1 2 342.458 3.052 20 30 EGEDLO CCCC[C@@](C)(F)C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001753405777 1440391923 /nfs/dbraw/zinc/39/19/23/1440391923.db2.gz SIGWYOVFMNTAHS-LJQANCHMSA-N 1 2 349.425 3.164 20 30 EGEDLO C=C[C@H](CC(=O)NCC1C[NH+](Cc2ccns2)C1)c1ccccc1 ZINC001753418240 1440394723 /nfs/dbraw/zinc/39/47/23/1440394723.db2.gz WSRNTOPEPZEGRB-MRXNPFEDSA-N 1 2 341.480 3.051 20 30 EGEDLO C=CCC1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2c(C)onc2CC)CCC1 ZINC001753423880 1440396119 /nfs/dbraw/zinc/39/61/19/1440396119.db2.gz BVZPBOBDRAFODK-HOTGVXAUSA-N 1 2 343.471 3.077 20 30 EGEDLO C=CCC1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2c(C)onc2CC)CCC1 ZINC001753423880 1440396120 /nfs/dbraw/zinc/39/61/20/1440396120.db2.gz BVZPBOBDRAFODK-HOTGVXAUSA-N 1 2 343.471 3.077 20 30 EGEDLO CC(C)C#CC(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC001753437076 1440400279 /nfs/dbraw/zinc/40/02/79/1440400279.db2.gz GVPYNZQTNFJGGK-HNNXBMFYSA-N 1 2 336.838 3.171 20 30 EGEDLO CC(C)C#CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC001753437076 1440400280 /nfs/dbraw/zinc/40/02/80/1440400280.db2.gz GVPYNZQTNFJGGK-HNNXBMFYSA-N 1 2 336.838 3.171 20 30 EGEDLO C=C[C@H](CC)CC(=O)N(C)[C@H]1CC[N@H+](Cc2csc(CC)n2)C1 ZINC001753441937 1440402027 /nfs/dbraw/zinc/40/20/27/1440402027.db2.gz SANMWSKRTQDAAJ-ZBFHGGJFSA-N 1 2 335.517 3.341 20 30 EGEDLO C=C[C@H](CC)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2csc(CC)n2)C1 ZINC001753441937 1440402028 /nfs/dbraw/zinc/40/20/28/1440402028.db2.gz SANMWSKRTQDAAJ-ZBFHGGJFSA-N 1 2 335.517 3.341 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001753442471 1440402248 /nfs/dbraw/zinc/40/22/48/1440402248.db2.gz DCRRNBFCGXYQCE-QGZVFWFLSA-N 1 2 332.492 3.099 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001753442471 1440402249 /nfs/dbraw/zinc/40/22/49/1440402249.db2.gz DCRRNBFCGXYQCE-QGZVFWFLSA-N 1 2 332.492 3.099 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@H]1C[N@H+](Cc2ccc(CF)cc2)CCO1 ZINC001753654629 1440457300 /nfs/dbraw/zinc/45/73/00/1440457300.db2.gz ZZBBJUCOEJKWIU-SFHVURJKSA-N 1 2 348.462 3.075 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@H]1C[N@@H+](Cc2ccc(CF)cc2)CCO1 ZINC001753654629 1440457301 /nfs/dbraw/zinc/45/73/01/1440457301.db2.gz ZZBBJUCOEJKWIU-SFHVURJKSA-N 1 2 348.462 3.075 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccc(F)c2ccncc12 ZINC001753861251 1440511457 /nfs/dbraw/zinc/51/14/57/1440511457.db2.gz YTJJWBPGDYITDG-UHFFFAOYSA-N 1 2 335.810 3.130 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccc(F)c2ccncc12 ZINC001753861251 1440511458 /nfs/dbraw/zinc/51/14/58/1440511458.db2.gz YTJJWBPGDYITDG-UHFFFAOYSA-N 1 2 335.810 3.130 20 30 EGEDLO C[C@H](CC(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N)c1ccco1 ZINC001753875671 1440519374 /nfs/dbraw/zinc/51/93/74/1440519374.db2.gz PKVFFOGLAGBBRS-MRXNPFEDSA-N 1 2 339.439 3.235 20 30 EGEDLO C[C@H](CC(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N)c1ccco1 ZINC001753875671 1440519375 /nfs/dbraw/zinc/51/93/75/1440519375.db2.gz PKVFFOGLAGBBRS-MRXNPFEDSA-N 1 2 339.439 3.235 20 30 EGEDLO C=CCC1(C(=O)N[C@H](C)C[N@@H+](C)Cc2csc(CC)n2)CCC1 ZINC001754322566 1440578799 /nfs/dbraw/zinc/57/87/99/1440578799.db2.gz GETWIDXGBHVZML-CQSZACIVSA-N 1 2 335.517 3.388 20 30 EGEDLO C=CCC1(C(=O)N[C@H](C)C[N@H+](C)Cc2csc(CC)n2)CCC1 ZINC001754322566 1440578800 /nfs/dbraw/zinc/57/88/00/1440578800.db2.gz GETWIDXGBHVZML-CQSZACIVSA-N 1 2 335.517 3.388 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C12CC(c3ccccc3)(C1)C2 ZINC001754335260 1440586226 /nfs/dbraw/zinc/58/62/26/1440586226.db2.gz BHYJSMQREMUQAG-MNNVXMFVSA-N 1 2 332.875 3.297 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C12CC(c3ccccc3)(C1)C2 ZINC001754335260 1440586227 /nfs/dbraw/zinc/58/62/27/1440586227.db2.gz BHYJSMQREMUQAG-MNNVXMFVSA-N 1 2 332.875 3.297 20 30 EGEDLO CC(C)=C(C)CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001754490676 1440610120 /nfs/dbraw/zinc/61/01/20/1440610120.db2.gz UFUWFPUDDWTFHF-QGZVFWFLSA-N 1 2 329.419 3.134 20 30 EGEDLO CC(C)=C(C)CC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001754490676 1440610121 /nfs/dbraw/zinc/61/01/21/1440610121.db2.gz UFUWFPUDDWTFHF-QGZVFWFLSA-N 1 2 329.419 3.134 20 30 EGEDLO N#CC[N@H+](CC1CC1)C1CCN(C(=O)c2cccc(Cl)c2F)CC1 ZINC001754549250 1440629314 /nfs/dbraw/zinc/62/93/14/1440629314.db2.gz XWPMKCKMHVMSQF-UHFFFAOYSA-N 1 2 349.837 3.319 20 30 EGEDLO N#CC[N@@H+](CC1CC1)C1CCN(C(=O)c2cccc(Cl)c2F)CC1 ZINC001754549250 1440629315 /nfs/dbraw/zinc/62/93/15/1440629315.db2.gz XWPMKCKMHVMSQF-UHFFFAOYSA-N 1 2 349.837 3.319 20 30 EGEDLO C=CCC(C)(C)C(=O)N(C)C1C[NH+](CCO[C@@H]2CCCC[C@H]2C)C1 ZINC001754582982 1440639090 /nfs/dbraw/zinc/63/90/90/1440639090.db2.gz JFJFSGXQAAYPOB-SJLPKXTDSA-N 1 2 336.520 3.327 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1nc(C2CCCC2)no1 ZINC001754611231 1440643889 /nfs/dbraw/zinc/64/38/89/1440643889.db2.gz VFGMJSAQKCHUNH-INIZCTEOSA-N 1 2 346.475 3.164 20 30 EGEDLO C#CCN(C(=O)C=C(CC)CC)C1CC[NH+](Cc2coc(C)n2)CC1 ZINC001754636907 1440648607 /nfs/dbraw/zinc/64/86/07/1440648607.db2.gz QTRNWISIUWBXQS-UHFFFAOYSA-N 1 2 343.471 3.156 20 30 EGEDLO C=CCCC(=O)N[C@@H](C[NH2+]Cc1nc(C(C)(C)C)no1)C1CCCC1 ZINC001754646905 1440650625 /nfs/dbraw/zinc/65/06/25/1440650625.db2.gz VFGGCLRPBIZYPK-HNNXBMFYSA-N 1 2 348.491 3.098 20 30 EGEDLO CCCCCCC[N@@H+]1CC[C@@](C)(NC(=O)C(F)C(F)(F)F)C1 ZINC001754673450 1440658883 /nfs/dbraw/zinc/65/88/83/1440658883.db2.gz APOSJFAHMOUUQV-TZMCWYRMSA-N 1 2 326.378 3.438 20 30 EGEDLO CCCCCCC[N@H+]1CC[C@@](C)(NC(=O)C(F)C(F)(F)F)C1 ZINC001754673450 1440658884 /nfs/dbraw/zinc/65/88/84/1440658884.db2.gz APOSJFAHMOUUQV-TZMCWYRMSA-N 1 2 326.378 3.438 20 30 EGEDLO CCCCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001754673450 1440658885 /nfs/dbraw/zinc/65/88/85/1440658885.db2.gz APOSJFAHMOUUQV-TZMCWYRMSA-N 1 2 326.378 3.438 20 30 EGEDLO CCCCCCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001754673450 1440658886 /nfs/dbraw/zinc/65/88/86/1440658886.db2.gz APOSJFAHMOUUQV-TZMCWYRMSA-N 1 2 326.378 3.438 20 30 EGEDLO C#CC[NH+]1CCC(C)(CNC(=O)c2cc(C(C)(C)C)oc2C)CC1 ZINC001754720224 1440672912 /nfs/dbraw/zinc/67/29/12/1440672912.db2.gz JZHFOYZFIFONGY-UHFFFAOYSA-N 1 2 330.472 3.351 20 30 EGEDLO C=C(C)CCC(=O)NCc1ccc([C@H](C)[NH2+]Cc2nnc(C)o2)cc1 ZINC001754948094 1440713984 /nfs/dbraw/zinc/71/39/84/1440713984.db2.gz VYEBNCKBTZDXJB-AWEZNQCLSA-N 1 2 342.443 3.201 20 30 EGEDLO C=CCCC(=O)NCc1ccc([C@H](C)[NH2+][C@@H](C)c2nnc(C)o2)cc1 ZINC001754955215 1440716300 /nfs/dbraw/zinc/71/63/00/1440716300.db2.gz XTKXUTCXPVMXFP-KBPBESRZSA-N 1 2 342.443 3.372 20 30 EGEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)CCCCCC(C)C)C2)CC1 ZINC001755019758 1440726530 /nfs/dbraw/zinc/72/65/30/1440726530.db2.gz QZAFWIZJENBQAU-FQEVSTJZSA-N 1 2 349.563 3.388 20 30 EGEDLO CC(C)=CC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H](C)C1 ZINC001755157743 1440763631 /nfs/dbraw/zinc/76/36/31/1440763631.db2.gz MCYUPEACJHDAAL-KSSFIOAISA-N 1 2 329.419 3.133 20 30 EGEDLO CC(C)=CC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H](C)C1 ZINC001755157743 1440763632 /nfs/dbraw/zinc/76/36/32/1440763632.db2.gz MCYUPEACJHDAAL-KSSFIOAISA-N 1 2 329.419 3.133 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H](C)[N@H+](C)Cc1ccn(C2CCCC2)n1 ZINC001755303922 1440809832 /nfs/dbraw/zinc/80/98/32/1440809832.db2.gz SZTGCKGLCKDPOZ-MRXNPFEDSA-N 1 2 332.492 3.291 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccn(C2CCCC2)n1 ZINC001755303922 1440809833 /nfs/dbraw/zinc/80/98/33/1440809833.db2.gz SZTGCKGLCKDPOZ-MRXNPFEDSA-N 1 2 332.492 3.291 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H](C)C1C[NH+](Cc2ncoc2C(C)C)C1 ZINC001755381673 1440839435 /nfs/dbraw/zinc/83/94/35/1440839435.db2.gz KKBJSGKOGGOXOX-LIRRHRJNSA-N 1 2 333.476 3.337 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H](C)Cc2ccccc2)C(C)(C)C1 ZINC001755416754 1440849254 /nfs/dbraw/zinc/84/92/54/1440849254.db2.gz WBNUQMXEOQVVFD-YOEHRIQHSA-N 1 2 334.891 3.444 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H](C)Cc2ccccc2)C(C)(C)C1 ZINC001755416754 1440849255 /nfs/dbraw/zinc/84/92/55/1440849255.db2.gz WBNUQMXEOQVVFD-YOEHRIQHSA-N 1 2 334.891 3.444 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@@H]([NH2+]Cc2nnc(C(C)(C)C)o2)C[C@@H]1C ZINC001755674059 1440894367 /nfs/dbraw/zinc/89/43/67/1440894367.db2.gz CRGPNIXKNUMNPZ-KBPBESRZSA-N 1 2 348.491 3.048 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1[N@H+](Cc1cscn1)CC2 ZINC001755700389 1440899718 /nfs/dbraw/zinc/89/97/18/1440899718.db2.gz DTKONZBERJGGSO-QAPCUYQASA-N 1 2 333.501 3.359 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1cscn1)CC2 ZINC001755700389 1440899719 /nfs/dbraw/zinc/89/97/19/1440899719.db2.gz DTKONZBERJGGSO-QAPCUYQASA-N 1 2 333.501 3.359 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2F)[C@H]1C ZINC001755718219 1440906013 /nfs/dbraw/zinc/90/60/13/1440906013.db2.gz KRXAYAKRLPNSAP-KSSFIOAISA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2F)[C@H]1C ZINC001755718219 1440906014 /nfs/dbraw/zinc/90/60/14/1440906014.db2.gz KRXAYAKRLPNSAP-KSSFIOAISA-N 1 2 334.410 3.093 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2nc3c(o2)CCCC3)[C@H]1C ZINC001755718402 1440906365 /nfs/dbraw/zinc/90/63/65/1440906365.db2.gz ZORWKHPDRAPFAO-LSDHHAIUSA-N 1 2 345.487 3.235 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2nc3c(o2)CCCC3)[C@H]1C ZINC001755718402 1440906366 /nfs/dbraw/zinc/90/63/66/1440906366.db2.gz ZORWKHPDRAPFAO-LSDHHAIUSA-N 1 2 345.487 3.235 20 30 EGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)CC[C@@H]2CC(C)(C)CO2)CC1 ZINC001755898192 1440943166 /nfs/dbraw/zinc/94/31/66/1440943166.db2.gz CCJALPKOVIWVJJ-MRXNPFEDSA-N 1 2 340.895 3.083 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)CC[C@@H]2CC(C)(C)CO2)CC1 ZINC001755898192 1440943167 /nfs/dbraw/zinc/94/31/67/1440943167.db2.gz CCJALPKOVIWVJJ-MRXNPFEDSA-N 1 2 340.895 3.083 20 30 EGEDLO N#Cc1ccc(N2CCC[C@H](Nc3cc[nH+]c(C4CC4)n3)C2)c(F)c1 ZINC000110589988 220046997 /nfs/dbraw/zinc/04/69/97/220046997.db2.gz GUTHFUJPKRBXJF-HNNXBMFYSA-N 1 2 337.402 3.446 20 30 EGEDLO COc1cccc(C(=O)N2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000183967711 533401321 /nfs/dbraw/zinc/40/13/21/533401321.db2.gz YCBCVMIZMISFMJ-MRXNPFEDSA-N 1 2 349.434 3.086 20 30 EGEDLO COc1cccc([C@@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000341224114 141140737 /nfs/dbraw/zinc/14/07/37/141140737.db2.gz WKQJNDXCFKRICC-CYBMUJFWSA-N 1 2 334.379 3.468 20 30 EGEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccccc1Oc1ccccc1C#N ZINC000350558439 141253370 /nfs/dbraw/zinc/25/33/70/141253370.db2.gz BPXMCUPAWJRVGU-HNNXBMFYSA-N 1 2 346.390 3.366 20 30 EGEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186927765 144146685 /nfs/dbraw/zinc/14/66/85/144146685.db2.gz YZCOEFNKXQDCIR-UHFFFAOYSA-N 1 2 342.389 3.406 20 30 EGEDLO C[S@@](=O)C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccccc1 ZINC000187434005 144159099 /nfs/dbraw/zinc/15/90/99/144159099.db2.gz LPIJAQQEXAAGIV-VGOFRKELSA-N 1 2 332.856 3.421 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cc1F ZINC000191862698 153225851 /nfs/dbraw/zinc/22/58/51/153225851.db2.gz KQOCKUYGLONVIN-UHFFFAOYSA-N 1 2 338.361 3.030 20 30 EGEDLO COc1cc(C[NH+]2CCN(c3ccccc3F)CC2)ccc1C#N ZINC000326152718 154182716 /nfs/dbraw/zinc/18/27/16/154182716.db2.gz MRMUZZZSECAIFK-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000365638636 157200030 /nfs/dbraw/zinc/20/00/30/157200030.db2.gz NWUCILOFXNNJGI-CYBMUJFWSA-N 1 2 343.818 3.357 20 30 EGEDLO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000368854132 157307827 /nfs/dbraw/zinc/30/78/27/157307827.db2.gz MODGFXXFVHZCIQ-KRWDZBQOSA-N 1 2 329.375 3.093 20 30 EGEDLO Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000368854132 157307833 /nfs/dbraw/zinc/30/78/33/157307833.db2.gz MODGFXXFVHZCIQ-KRWDZBQOSA-N 1 2 329.375 3.093 20 30 EGEDLO C[N@H+](CC(=O)Nc1nc2ccccc2s1)Cc1ccc(C#N)cc1 ZINC000111200045 162146515 /nfs/dbraw/zinc/14/65/15/162146515.db2.gz KPLLUZWLJJQKSG-UHFFFAOYSA-N 1 2 336.420 3.238 20 30 EGEDLO C[N@@H+](CC(=O)Nc1nc2ccccc2s1)Cc1ccc(C#N)cc1 ZINC000111200045 162146516 /nfs/dbraw/zinc/14/65/16/162146516.db2.gz KPLLUZWLJJQKSG-UHFFFAOYSA-N 1 2 336.420 3.238 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3csc(Cl)c3)CC2)cc1 ZINC000342278867 163834076 /nfs/dbraw/zinc/83/40/76/163834076.db2.gz GTOKKFURQFYMQT-UHFFFAOYSA-N 1 2 345.855 3.231 20 30 EGEDLO Cn1cc[nH+]c1CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000343710771 164017606 /nfs/dbraw/zinc/01/76/06/164017606.db2.gz OJTFTLLMEIJDCX-UHFFFAOYSA-N 1 2 347.378 3.406 20 30 EGEDLO N#Cc1cccc(CCNc2[nH+]cnc3c2cnn3-c2ccccc2)c1 ZINC000344588745 164193930 /nfs/dbraw/zinc/19/39/30/164193930.db2.gz UBCJCCJKANVAQF-UHFFFAOYSA-N 1 2 340.390 3.342 20 30 EGEDLO C[NH+](C)[C@@H](CNC(=O)c1ccc(F)c(C#N)c1)c1c(F)cccc1F ZINC000346355864 164373972 /nfs/dbraw/zinc/37/39/72/164373972.db2.gz KYCOCLOKQCDAKD-INIZCTEOSA-N 1 2 347.340 3.008 20 30 EGEDLO Cc1nn(C)c(N2CC[NH+]([C@@H](C)c3cccc(Cl)c3)CC2)c1C#N ZINC000349897084 164970191 /nfs/dbraw/zinc/97/01/91/164970191.db2.gz RINOIORPAOGMOL-AWEZNQCLSA-N 1 2 343.862 3.137 20 30 EGEDLO Cc1nsc(N2CC[NH+](Cc3cc(F)ccc3C)CC2)c1C#N ZINC000352192851 165277522 /nfs/dbraw/zinc/27/75/22/165277522.db2.gz XZLNHQYVKAEAOP-UHFFFAOYSA-N 1 2 330.432 3.093 20 30 EGEDLO Cc1ccc2[nH+]c(CNC(=O)Nc3ccc(C#N)cc3Cl)cn2c1 ZINC000356934604 166541786 /nfs/dbraw/zinc/54/17/86/166541786.db2.gz ZYFCNBZEGWXHKR-UHFFFAOYSA-N 1 2 339.786 3.490 20 30 EGEDLO N#Cc1csc(C(=O)N(Cc2[nH]cc[nH+]2)c2cccc(F)c2)c1 ZINC000446114162 270052440 /nfs/dbraw/zinc/05/24/40/270052440.db2.gz QFQKCHHQORGRGR-UHFFFAOYSA-N 1 2 326.356 3.329 20 30 EGEDLO CCOc1ccc(C[N@H+](C)Cc2cccc(C(=O)OC)c2C#N)cc1 ZINC000533777080 270061154 /nfs/dbraw/zinc/06/11/54/270061154.db2.gz DJKGHNSZUNYELP-UHFFFAOYSA-N 1 2 338.407 3.376 20 30 EGEDLO CCOc1ccc(C[N@@H+](C)Cc2cccc(C(=O)OC)c2C#N)cc1 ZINC000533777080 270061156 /nfs/dbraw/zinc/06/11/56/270061156.db2.gz DJKGHNSZUNYELP-UHFFFAOYSA-N 1 2 338.407 3.376 20 30 EGEDLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292198449 267004996 /nfs/dbraw/zinc/00/49/96/267004996.db2.gz NPPWTFGPVMFTJU-ZFWWWQNUSA-N 1 2 340.427 3.453 20 30 EGEDLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292198449 267005000 /nfs/dbraw/zinc/00/50/00/267005000.db2.gz NPPWTFGPVMFTJU-ZFWWWQNUSA-N 1 2 340.427 3.453 20 30 EGEDLO C[C@@]([NH2+]Cc1ccccc1C#N)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177375021 267113342 /nfs/dbraw/zinc/11/33/42/267113342.db2.gz XTHXBFVVDXWVNB-KRWDZBQOSA-N 1 2 347.340 3.067 20 30 EGEDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccnc(C#N)c2)CC1 ZINC000286330027 267208495 /nfs/dbraw/zinc/20/84/95/267208495.db2.gz BIRLOPALRJNZQS-CYBMUJFWSA-N 1 2 328.366 3.115 20 30 EGEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CCC1(F)F ZINC000289963092 267229810 /nfs/dbraw/zinc/22/98/10/267229810.db2.gz WSEMCAGWQINMSR-JTQLQIEISA-N 1 2 327.762 3.127 20 30 EGEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CCC1(F)F ZINC000289963092 267229813 /nfs/dbraw/zinc/22/98/13/267229813.db2.gz WSEMCAGWQINMSR-JTQLQIEISA-N 1 2 327.762 3.127 20 30 EGEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416737038 267257877 /nfs/dbraw/zinc/25/78/77/267257877.db2.gz XWIXYRSSLLGNPJ-CXAGYDPISA-N 1 2 337.427 3.212 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCc1ccc(C#N)s1 ZINC000422221589 267257947 /nfs/dbraw/zinc/25/79/47/267257947.db2.gz ZRXAZAWWRHQLCG-HNNXBMFYSA-N 1 2 343.456 3.273 20 30 EGEDLO CN(C)c1[nH]c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2[nH+]1 ZINC000431647364 267294191 /nfs/dbraw/zinc/29/41/91/267294191.db2.gz CTDWKUARPHSMOK-UHFFFAOYSA-N 1 2 333.395 3.072 20 30 EGEDLO Cc1cc(N2CCCN(c3ccccc3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000301119400 267334992 /nfs/dbraw/zinc/33/49/92/267334992.db2.gz VXZAVUCCKPKKRJ-UHFFFAOYSA-N 1 2 335.455 3.497 20 30 EGEDLO Cc1cnc(N2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)s1 ZINC000439457968 268071171 /nfs/dbraw/zinc/07/11/71/268071171.db2.gz CNSOHJAVBAPYQF-UHFFFAOYSA-N 1 2 332.860 3.299 20 30 EGEDLO Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000450238718 268080939 /nfs/dbraw/zinc/08/09/39/268080939.db2.gz BSQKDHKJDYSZCH-MRXNPFEDSA-N 1 2 347.422 3.158 20 30 EGEDLO Cc1nsc(N2CCC[N@H+](Cc3ccc(C#N)cc3Cl)CC2)n1 ZINC000439437053 268101243 /nfs/dbraw/zinc/10/12/43/268101243.db2.gz JTHPHTMHUQQMPU-UHFFFAOYSA-N 1 2 347.875 3.084 20 30 EGEDLO Cc1nsc(N2CCC[N@@H+](Cc3ccc(C#N)cc3Cl)CC2)n1 ZINC000439437053 268101246 /nfs/dbraw/zinc/10/12/46/268101246.db2.gz JTHPHTMHUQQMPU-UHFFFAOYSA-N 1 2 347.875 3.084 20 30 EGEDLO Cc1nsc(N2CCN(c3[nH+]ccc4ccccc43)CC2)c1C#N ZINC000528025608 268102667 /nfs/dbraw/zinc/10/26/67/268102667.db2.gz XABZTLPKLXDULP-UHFFFAOYSA-N 1 2 335.436 3.198 20 30 EGEDLO N#Cc1ncc(NC(=O)NCCCCNc2cccc[nH+]2)cc1Cl ZINC000455781997 268322760 /nfs/dbraw/zinc/32/27/60/268322760.db2.gz JFMNQZARWDCGIH-UHFFFAOYSA-N 1 2 344.806 3.015 20 30 EGEDLO Cc1ccc(C#N)c(N2CC[NH+]([C@@H](C)c3ccc(F)cc3F)CC2)n1 ZINC000161192975 307899887 /nfs/dbraw/zinc/89/98/87/307899887.db2.gz SMKMOEKKPRSFJQ-AWEZNQCLSA-N 1 2 342.393 3.423 20 30 EGEDLO COC(=O)c1cccc(COc2cc[nH+]c3cc(OC)ccc32)c1C#N ZINC000535919001 314084150 /nfs/dbraw/zinc/08/41/50/314084150.db2.gz OJIACUQOLAFJIP-UHFFFAOYSA-N 1 2 348.358 3.481 20 30 EGEDLO COc1cc(C#N)ccc1NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000547416639 314899486 /nfs/dbraw/zinc/89/94/86/314899486.db2.gz KPCMTRMRPTXVDS-QGZVFWFLSA-N 1 2 343.814 3.462 20 30 EGEDLO CC1(C)C[N@H+](CCOc2ccc(C#N)cc2)C[C@@](C)(C(F)(F)F)O1 ZINC000549841740 315107373 /nfs/dbraw/zinc/10/73/73/315107373.db2.gz JCPBJBXMVLSODM-INIZCTEOSA-N 1 2 342.361 3.369 20 30 EGEDLO CC1(C)C[N@@H+](CCOc2ccc(C#N)cc2)C[C@@](C)(C(F)(F)F)O1 ZINC000549841740 315107376 /nfs/dbraw/zinc/10/73/76/315107376.db2.gz JCPBJBXMVLSODM-INIZCTEOSA-N 1 2 342.361 3.369 20 30 EGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000560405745 315685021 /nfs/dbraw/zinc/68/50/21/315685021.db2.gz RCFDHTOJWICLOK-WFASDCNBSA-N 1 2 339.399 3.369 20 30 EGEDLO Cc1cc(C#N)cc(NC(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)c1 ZINC000572661640 317371602 /nfs/dbraw/zinc/37/16/02/317371602.db2.gz OHPUAYOUQAPRQE-CYBMUJFWSA-N 1 2 336.317 3.275 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c2[nH+]ccn21 ZINC000578967607 325043636 /nfs/dbraw/zinc/04/36/36/325043636.db2.gz PVYHNDZVIWOMKE-RDTXWAMCSA-N 1 2 347.422 3.259 20 30 EGEDLO C#CCOc1ccccc1CN(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000264468505 455219538 /nfs/dbraw/zinc/21/95/38/455219538.db2.gz WOXVPISSNWGYOA-UHFFFAOYSA-N 1 2 337.345 3.089 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000473631024 458836618 /nfs/dbraw/zinc/83/66/18/458836618.db2.gz KCHWCQIHYPKYOS-HNNXBMFYSA-N 1 2 336.233 3.315 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000582734039 459418947 /nfs/dbraw/zinc/41/89/47/459418947.db2.gz QQMYFGXYIWXKTI-SECBINFHSA-N 1 2 331.750 3.162 20 30 EGEDLO N#CC1CC[NH+](Cc2csc(CC(=O)Nc3ccccc3)n2)CC1 ZINC000173267619 455256933 /nfs/dbraw/zinc/25/69/33/455256933.db2.gz WTHXJHTXOBMVFE-UHFFFAOYSA-N 1 2 340.452 3.060 20 30 EGEDLO COc1cc(C[N@H+](C)C[C@H](C#N)CCC#N)c(SC)cc1OC ZINC000158103749 455269627 /nfs/dbraw/zinc/26/96/27/455269627.db2.gz RVESKHNKJWBIGI-ZDUSSCGKSA-N 1 2 333.457 3.301 20 30 EGEDLO COc1cc(C[N@@H+](C)C[C@H](C#N)CCC#N)c(SC)cc1OC ZINC000158103749 455269631 /nfs/dbraw/zinc/26/96/31/455269631.db2.gz RVESKHNKJWBIGI-ZDUSSCGKSA-N 1 2 333.457 3.301 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1nc(N)c2ccccc2n1 ZINC000181129723 455292698 /nfs/dbraw/zinc/29/26/98/455292698.db2.gz HIESJSJNQVPSQB-UHFFFAOYSA-N 1 2 334.423 3.409 20 30 EGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1nc(N)c2ccccc2n1 ZINC000181129723 455292702 /nfs/dbraw/zinc/29/27/02/455292702.db2.gz HIESJSJNQVPSQB-UHFFFAOYSA-N 1 2 334.423 3.409 20 30 EGEDLO C=C(C)C[N@@H+](C)Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000181333258 455319299 /nfs/dbraw/zinc/31/92/99/455319299.db2.gz ZQXMXMBSCVLOME-UHFFFAOYSA-N 1 2 345.756 3.342 20 30 EGEDLO C=C(C)C[N@H+](C)Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000181333258 455319301 /nfs/dbraw/zinc/31/93/01/455319301.db2.gz ZQXMXMBSCVLOME-UHFFFAOYSA-N 1 2 345.756 3.342 20 30 EGEDLO CN(C(=O)C[N@H+](Cc1ccccc1F)C1CC1)C1(C#N)CCCCC1 ZINC000007858296 453127177 /nfs/dbraw/zinc/12/71/77/453127177.db2.gz XKVKUZOPONPXQJ-UHFFFAOYSA-N 1 2 343.446 3.475 20 30 EGEDLO CN(C(=O)C[N@@H+](Cc1ccccc1F)C1CC1)C1(C#N)CCCCC1 ZINC000007858296 453127188 /nfs/dbraw/zinc/12/71/88/453127188.db2.gz XKVKUZOPONPXQJ-UHFFFAOYSA-N 1 2 343.446 3.475 20 30 EGEDLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccccc1C#N ZINC000016378171 453602822 /nfs/dbraw/zinc/60/28/22/453602822.db2.gz HNXYDOWNHQLDIW-UHFFFAOYSA-N 1 2 337.423 3.418 20 30 EGEDLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccccc1C#N ZINC000016378171 453602826 /nfs/dbraw/zinc/60/28/26/453602826.db2.gz HNXYDOWNHQLDIW-UHFFFAOYSA-N 1 2 337.423 3.418 20 30 EGEDLO C=CC[N@@H+](CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C)Cc1cccs1 ZINC000016395450 453605486 /nfs/dbraw/zinc/60/54/86/453605486.db2.gz KKUMOKNETZCRQC-ZBFHGGJFSA-N 1 2 349.500 3.141 20 30 EGEDLO C=CC[N@H+](CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C)Cc1cccs1 ZINC000016395450 453605489 /nfs/dbraw/zinc/60/54/89/453605489.db2.gz KKUMOKNETZCRQC-ZBFHGGJFSA-N 1 2 349.500 3.141 20 30 EGEDLO Cc1cc(-c2csc(NC(N)=[NH2+])n2)c(C)n1Cc1cccs1 ZINC000025043013 453756604 /nfs/dbraw/zinc/75/66/04/453756604.db2.gz FIQOHJTVUDXQMD-UHFFFAOYSA-N 1 2 331.470 3.243 20 30 EGEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccccc1-c1ccccc1C#N ZINC000052749874 453843176 /nfs/dbraw/zinc/84/31/76/453843176.db2.gz UAWULQYETWFRBJ-HNNXBMFYSA-N 1 2 330.391 3.240 20 30 EGEDLO C=CCOc1ccccc1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000031316991 453844869 /nfs/dbraw/zinc/84/48/69/453844869.db2.gz UNIBVMOHBUDGQV-UHFFFAOYSA-N 1 2 337.423 3.177 20 30 EGEDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000031435545 453847398 /nfs/dbraw/zinc/84/73/98/453847398.db2.gz OGAKIQCJKZHULA-CQSZACIVSA-N 1 2 332.407 3.348 20 30 EGEDLO Cc1ncsc1C[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000066563924 453852018 /nfs/dbraw/zinc/85/20/18/453852018.db2.gz PNMVTFUPXGECJR-UHFFFAOYSA-N 1 2 346.481 3.138 20 30 EGEDLO Cc1ncsc1C[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000066563924 453852019 /nfs/dbraw/zinc/85/20/19/453852019.db2.gz PNMVTFUPXGECJR-UHFFFAOYSA-N 1 2 346.481 3.138 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000075300360 453877475 /nfs/dbraw/zinc/87/74/75/453877475.db2.gz OVIJAUYRMGEXML-MSOLQXFVSA-N 1 2 330.391 3.246 20 30 EGEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000081515135 453879959 /nfs/dbraw/zinc/87/99/59/453879959.db2.gz XFVMPOMHKRSRIC-LBPRGKRZSA-N 1 2 325.815 3.062 20 30 EGEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000081515135 453879962 /nfs/dbraw/zinc/87/99/62/453879962.db2.gz XFVMPOMHKRSRIC-LBPRGKRZSA-N 1 2 325.815 3.062 20 30 EGEDLO N#CCCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000067127780 453904554 /nfs/dbraw/zinc/90/45/54/453904554.db2.gz UIQMTJHDAMDVMT-UHFFFAOYSA-N 1 2 342.321 3.039 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCOc1ccccc1C ZINC000083132361 453939294 /nfs/dbraw/zinc/93/92/94/453939294.db2.gz JSEZSQUUPLUYSG-LJQANCHMSA-N 1 2 338.407 3.092 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCOc1ccccc1C ZINC000083132361 453939297 /nfs/dbraw/zinc/93/92/97/453939297.db2.gz JSEZSQUUPLUYSG-LJQANCHMSA-N 1 2 338.407 3.092 20 30 EGEDLO C=CC[C@H](C)NC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000083654070 453955180 /nfs/dbraw/zinc/95/51/80/453955180.db2.gz CUMWZXDGEIETFX-INIZCTEOSA-N 1 2 326.444 3.280 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000184506868 455392836 /nfs/dbraw/zinc/39/28/36/455392836.db2.gz KZRLRWZJWUXTRF-CHWSQXEVSA-N 1 2 336.505 3.099 20 30 EGEDLO Cc1cccc([C@@H](CNc2cccc(F)c2C#N)[NH+]2CCOCC2)c1 ZINC000042109335 453994998 /nfs/dbraw/zinc/99/49/98/453994998.db2.gz MHPQCWORLCJQEQ-HXUWFJFHSA-N 1 2 339.414 3.491 20 30 EGEDLO CCN(CC#N)C(=O)c1cccc(OCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000068240960 454010073 /nfs/dbraw/zinc/01/00/73/454010073.db2.gz NFOLDJDXIUKRFD-UHFFFAOYSA-N 1 2 348.406 3.207 20 30 EGEDLO C=CC[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1F ZINC000056312399 454050221 /nfs/dbraw/zinc/05/02/21/454050221.db2.gz YAAUUSUOXIAPGX-UHFFFAOYSA-N 1 2 329.419 3.156 20 30 EGEDLO C=CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1F ZINC000056312399 454050222 /nfs/dbraw/zinc/05/02/22/454050222.db2.gz YAAUUSUOXIAPGX-UHFFFAOYSA-N 1 2 329.419 3.156 20 30 EGEDLO N#CC1(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)CCCCC1 ZINC000057383732 454124063 /nfs/dbraw/zinc/12/40/63/454124063.db2.gz UYPUZVYLUHXEKA-UHFFFAOYSA-N 1 2 345.874 3.458 20 30 EGEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000058092923 454163458 /nfs/dbraw/zinc/16/34/58/454163458.db2.gz KIXDYPFSVMKNDB-UHFFFAOYSA-N 1 2 345.406 3.191 20 30 EGEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)Cc2cccc(OCC#N)c2)c1 ZINC000089759479 454190666 /nfs/dbraw/zinc/19/06/66/454190666.db2.gz DPUHBLZWABMXKX-UHFFFAOYSA-N 1 2 346.390 3.171 20 30 EGEDLO C=CCN(CC=C)C(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000120715065 454338861 /nfs/dbraw/zinc/33/88/61/454338861.db2.gz OLLZPIAFRBXFRO-UHFFFAOYSA-N 1 2 337.379 3.013 20 30 EGEDLO N#CCC[C@@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000132952469 454381197 /nfs/dbraw/zinc/38/11/97/454381197.db2.gz OCTLBNAFYHXDPR-QGZVFWFLSA-N 1 2 337.427 3.228 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000048043322 454434512 /nfs/dbraw/zinc/43/45/12/454434512.db2.gz IOMAMAPGHUJYOJ-ZTQAJYAQSA-N 1 2 343.471 3.422 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000048043322 454434515 /nfs/dbraw/zinc/43/45/15/454434515.db2.gz IOMAMAPGHUJYOJ-ZTQAJYAQSA-N 1 2 343.471 3.422 20 30 EGEDLO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+](CC)C[C@H](C)C#N ZINC000064249146 454470018 /nfs/dbraw/zinc/47/00/18/454470018.db2.gz FZYWMAYKBKMQHP-NVXWUHKLSA-N 1 2 331.460 3.134 20 30 EGEDLO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+](CC)C[C@H](C)C#N ZINC000064249146 454470022 /nfs/dbraw/zinc/47/00/22/454470022.db2.gz FZYWMAYKBKMQHP-NVXWUHKLSA-N 1 2 331.460 3.134 20 30 EGEDLO CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+](CC)C[C@@H](C)C#N)cc1 ZINC000064249209 454470698 /nfs/dbraw/zinc/47/06/98/454470698.db2.gz ACLIGFLHKLGVTO-QFBILLFUSA-N 1 2 343.471 3.230 20 30 EGEDLO CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+](CC)C[C@@H](C)C#N)cc1 ZINC000064249209 454470701 /nfs/dbraw/zinc/47/07/01/454470701.db2.gz ACLIGFLHKLGVTO-QFBILLFUSA-N 1 2 343.471 3.230 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c(F)c1 ZINC000101558428 454472696 /nfs/dbraw/zinc/47/26/96/454472696.db2.gz OCGAGJXIEPEENY-UHFFFAOYSA-N 1 2 338.361 3.030 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000133859008 454475652 /nfs/dbraw/zinc/47/56/52/454475652.db2.gz SNGTVLGVMPAYNB-AWEZNQCLSA-N 1 2 345.874 3.429 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000133859008 454475656 /nfs/dbraw/zinc/47/56/56/454475656.db2.gz SNGTVLGVMPAYNB-AWEZNQCLSA-N 1 2 345.874 3.429 20 30 EGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)CCC(F)(F)F)c1C ZINC000101731015 454481768 /nfs/dbraw/zinc/48/17/68/454481768.db2.gz HUHVVSJRSXOSTH-UHFFFAOYSA-N 1 2 341.377 3.434 20 30 EGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)CCC(F)(F)F)c1C ZINC000101731015 454481775 /nfs/dbraw/zinc/48/17/75/454481775.db2.gz HUHVVSJRSXOSTH-UHFFFAOYSA-N 1 2 341.377 3.434 20 30 EGEDLO Cc1c[nH+]ccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000122005473 454503626 /nfs/dbraw/zinc/50/36/26/454503626.db2.gz LGKHVLZQGHEHOZ-UHFFFAOYSA-N 1 2 336.395 3.337 20 30 EGEDLO C#CC[N@H+](Cc1ccc(-c2ccccc2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000092193865 454534942 /nfs/dbraw/zinc/53/49/42/454534942.db2.gz KSAKFNIJFDKMHX-INIZCTEOSA-N 1 2 345.489 3.037 20 30 EGEDLO C#CC[N@@H+](Cc1ccc(-c2ccccc2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000092193865 454534945 /nfs/dbraw/zinc/53/49/45/454534945.db2.gz KSAKFNIJFDKMHX-INIZCTEOSA-N 1 2 345.489 3.037 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(CC#N)c1)c1ccc(F)cc1 ZINC000049613106 454553029 /nfs/dbraw/zinc/55/30/29/454553029.db2.gz PDYVFZDPFZMILW-GOSISDBHSA-N 1 2 348.381 3.145 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(-c2ccc(C)cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000092361563 454556714 /nfs/dbraw/zinc/55/67/14/454556714.db2.gz UUXLXXUDMRSZEK-KRWDZBQOSA-N 1 2 345.464 3.430 20 30 EGEDLO C=CC[N@H+](Cc1ccc(-c2ccc(C)cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000092361563 454556717 /nfs/dbraw/zinc/55/67/17/454556717.db2.gz UUXLXXUDMRSZEK-KRWDZBQOSA-N 1 2 345.464 3.430 20 30 EGEDLO C=CC[N@@H+](CCc1ccccc1)Cc1csc(CC(=O)N(C)C)n1 ZINC000104948829 454611819 /nfs/dbraw/zinc/61/18/19/454611819.db2.gz HILBHQWBYXOTEO-UHFFFAOYSA-N 1 2 343.496 3.005 20 30 EGEDLO C=CC[N@H+](CCc1ccccc1)Cc1csc(CC(=O)N(C)C)n1 ZINC000104948829 454611822 /nfs/dbraw/zinc/61/18/22/454611822.db2.gz HILBHQWBYXOTEO-UHFFFAOYSA-N 1 2 343.496 3.005 20 30 EGEDLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2ccccc2)on1 ZINC000052009835 454648249 /nfs/dbraw/zinc/64/82/49/454648249.db2.gz YPZRMFLDIACJIO-QGZVFWFLSA-N 1 2 338.411 3.067 20 30 EGEDLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2ccccc2)on1 ZINC000052009835 454648253 /nfs/dbraw/zinc/64/82/53/454648253.db2.gz YPZRMFLDIACJIO-QGZVFWFLSA-N 1 2 338.411 3.067 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1sccc1C#N)c1ccc(F)cc1 ZINC000052029377 454649105 /nfs/dbraw/zinc/64/91/05/454649105.db2.gz GYECRTNDGHOZFF-AWEZNQCLSA-N 1 2 340.383 3.012 20 30 EGEDLO N#Cc1ccc2nc(NCc3ccc(-n4cc[nH+]c4)nc3)ccc2c1 ZINC000092886786 454649544 /nfs/dbraw/zinc/64/95/44/454649544.db2.gz IKFGIFYFQVLGPK-UHFFFAOYSA-N 1 2 326.363 3.299 20 30 EGEDLO Cc1[nH+]cc(CN(CCC#N)Cc2ccccn2)n1-c1ccccc1 ZINC000093100523 454682119 /nfs/dbraw/zinc/68/21/19/454682119.db2.gz AAQBWXHRYQOFEC-UHFFFAOYSA-N 1 2 331.423 3.492 20 30 EGEDLO CCc1ccc(C2=CC[N@@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000093262976 454696893 /nfs/dbraw/zinc/69/68/93/454696893.db2.gz SKORJTLZEOCMLS-OAQYLSRUSA-N 1 2 345.446 3.436 20 30 EGEDLO CCc1ccc(C2=CC[N@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000093262976 454696896 /nfs/dbraw/zinc/69/68/96/454696896.db2.gz SKORJTLZEOCMLS-OAQYLSRUSA-N 1 2 345.446 3.436 20 30 EGEDLO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H]2c2nncn2C)ccc1OC ZINC000093810507 454736306 /nfs/dbraw/zinc/73/63/06/454736306.db2.gz WAEVSVKQHSHJGJ-MRXNPFEDSA-N 1 2 342.443 3.116 20 30 EGEDLO C=C(C)COc1cc(C[N@H+]2CCC[C@@H]2c2nncn2C)ccc1OC ZINC000093810507 454736311 /nfs/dbraw/zinc/73/63/11/454736311.db2.gz WAEVSVKQHSHJGJ-MRXNPFEDSA-N 1 2 342.443 3.116 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(OC(C)(C)C)CC2)c(C#N)c1C ZINC000162353611 454768696 /nfs/dbraw/zinc/76/86/96/454768696.db2.gz POOYWJZYNPEOKK-ZDUSSCGKSA-N 1 2 347.459 3.375 20 30 EGEDLO C=CC[C@@H](C)NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000176864308 454792971 /nfs/dbraw/zinc/79/29/71/454792971.db2.gz HGUUNXPGRZCPNZ-MRXNPFEDSA-N 1 2 330.476 3.294 20 30 EGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000125108807 454797506 /nfs/dbraw/zinc/79/75/06/454797506.db2.gz QPDQREKTNXUCMD-KBPBESRZSA-N 1 2 349.525 3.314 20 30 EGEDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(C#N)s1)c1cccc(F)c1 ZINC000176945538 454802366 /nfs/dbraw/zinc/80/23/66/454802366.db2.gz FLYWSAAADBAKJT-INIZCTEOSA-N 1 2 326.400 3.372 20 30 EGEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000143244219 454841669 /nfs/dbraw/zinc/84/16/69/454841669.db2.gz NLFWPXWTNPHYQY-SJORKVTESA-N 1 2 335.451 3.372 20 30 EGEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000143244219 454841673 /nfs/dbraw/zinc/84/16/73/454841673.db2.gz NLFWPXWTNPHYQY-SJORKVTESA-N 1 2 335.451 3.372 20 30 EGEDLO CO[C@@H](C)c1nc(CO[NH+]=C(N)c2cccc(Cl)c2)cs1 ZINC000177546235 454876313 /nfs/dbraw/zinc/87/63/13/454876313.db2.gz DDBBUDAAYOXHAB-VIFPVBQESA-N 1 2 325.821 3.341 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000112544840 454889954 /nfs/dbraw/zinc/88/99/54/454889954.db2.gz ULNIBNJHEYSYTG-STQMWFEESA-N 1 2 335.498 3.459 20 30 EGEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177786212 454904655 /nfs/dbraw/zinc/90/46/55/454904655.db2.gz YBKVYPGHFWUOPE-UHFFFAOYSA-N 1 2 347.422 3.328 20 30 EGEDLO C[C@H]1C[N@H+](CCOc2ccccc2C#N)C[C@@H](c2ccsc2)O1 ZINC000246408748 455485476 /nfs/dbraw/zinc/48/54/76/455485476.db2.gz JFCISPNTRJZCCE-KSSFIOAISA-N 1 2 328.437 3.461 20 30 EGEDLO C[C@H]1C[N@@H+](CCOc2ccccc2C#N)C[C@@H](c2ccsc2)O1 ZINC000246408748 455485478 /nfs/dbraw/zinc/48/54/78/455485478.db2.gz JFCISPNTRJZCCE-KSSFIOAISA-N 1 2 328.437 3.461 20 30 EGEDLO C[C@H]1C[N@H+](CCOc2cccc(C#N)c2)C[C@@H](c2ccsc2)O1 ZINC000246411545 455485536 /nfs/dbraw/zinc/48/55/36/455485536.db2.gz JICWARXBAKKIKJ-KSSFIOAISA-N 1 2 328.437 3.461 20 30 EGEDLO C[C@H]1C[N@@H+](CCOc2cccc(C#N)c2)C[C@@H](c2ccsc2)O1 ZINC000246411545 455485538 /nfs/dbraw/zinc/48/55/38/455485538.db2.gz JICWARXBAKKIKJ-KSSFIOAISA-N 1 2 328.437 3.461 20 30 EGEDLO N#Cc1ccc(NC[C@H](c2cccs2)[NH+]2CCOCC2)c(F)c1 ZINC000170639284 454946268 /nfs/dbraw/zinc/94/62/68/454946268.db2.gz JVKTXZAXPDCMBH-MRXNPFEDSA-N 1 2 331.416 3.244 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CC3CCCCC3)CC2)s1 ZINC000127533801 454974652 /nfs/dbraw/zinc/97/46/52/454974652.db2.gz WTGAWYNTJWLNDO-UHFFFAOYSA-N 1 2 331.485 3.234 20 30 EGEDLO COCCOc1ccccc1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000155404068 454997593 /nfs/dbraw/zinc/99/75/93/454997593.db2.gz HNPYTAORYUTJGA-UHFFFAOYSA-N 1 2 328.387 3.355 20 30 EGEDLO COCCOc1ccccc1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000155404068 454997597 /nfs/dbraw/zinc/99/75/97/454997597.db2.gz HNPYTAORYUTJGA-UHFFFAOYSA-N 1 2 328.387 3.355 20 30 EGEDLO Cn1cc(Br)cc1C[N@H+](C)Cc1ccc(C#N)cc1F ZINC000151555751 455000723 /nfs/dbraw/zinc/00/07/23/455000723.db2.gz VTQVRVUUZRJXCJ-UHFFFAOYSA-N 1 2 336.208 3.430 20 30 EGEDLO Cn1cc(Br)cc1C[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000151555751 455000727 /nfs/dbraw/zinc/00/07/27/455000727.db2.gz VTQVRVUUZRJXCJ-UHFFFAOYSA-N 1 2 336.208 3.430 20 30 EGEDLO COc1ccc(CO[NH+]=C(N)Cc2csc(C)n2)cc1Cl ZINC000179193550 455018255 /nfs/dbraw/zinc/01/82/55/455018255.db2.gz PFAFSVLVKNBWCE-UHFFFAOYSA-N 1 2 325.821 3.145 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000128100309 455025049 /nfs/dbraw/zinc/02/50/49/455025049.db2.gz QLYQCPQYYRMFBX-OAHLLOKOSA-N 1 2 342.468 3.120 20 30 EGEDLO C[C@@H](CC#N)[N@H+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000179452393 455049316 /nfs/dbraw/zinc/04/93/16/455049316.db2.gz ZFFADAPWUZCUAP-LBPRGKRZSA-N 1 2 333.233 3.369 20 30 EGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000179452393 455049319 /nfs/dbraw/zinc/04/93/19/455049319.db2.gz ZFFADAPWUZCUAP-LBPRGKRZSA-N 1 2 333.233 3.369 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)cc1Cl ZINC000179486085 455050755 /nfs/dbraw/zinc/05/07/55/455050755.db2.gz FHZJZRQISMZIEG-INIZCTEOSA-N 1 2 334.847 3.148 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)cc1Cl ZINC000179486085 455050759 /nfs/dbraw/zinc/05/07/59/455050759.db2.gz FHZJZRQISMZIEG-INIZCTEOSA-N 1 2 334.847 3.148 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000152396172 455112514 /nfs/dbraw/zinc/11/25/14/455112514.db2.gz DEUQPXVWDVSSTB-ZIAGYGMSSA-N 1 2 340.452 3.478 20 30 EGEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000264434692 455213703 /nfs/dbraw/zinc/21/37/03/455213703.db2.gz DIISWEDTSDDCHI-KRWDZBQOSA-N 1 2 338.455 3.468 20 30 EGEDLO C[NH+](C)[C@H](CNC(=O)C1(C#N)CCCCC1)c1c(F)cccc1F ZINC000265301884 455304184 /nfs/dbraw/zinc/30/41/84/455304184.db2.gz MOUUQJWNCFPJIE-OAHLLOKOSA-N 1 2 335.398 3.158 20 30 EGEDLO CC[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000161004400 455523442 /nfs/dbraw/zinc/52/34/42/455523442.db2.gz ANHZWNVPAONGPT-DLBZAZTESA-N 1 2 329.350 3.104 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(c2ncccc2Cl)CC1 ZINC000182737923 455578652 /nfs/dbraw/zinc/57/86/52/455578652.db2.gz XXHSRSRNBNARFC-AWEZNQCLSA-N 1 2 326.831 3.490 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000192244616 455580806 /nfs/dbraw/zinc/58/08/06/455580806.db2.gz GWUGRZLOLFLCRV-AWEZNQCLSA-N 1 2 345.874 3.429 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000192244616 455580807 /nfs/dbraw/zinc/58/08/07/455580807.db2.gz GWUGRZLOLFLCRV-AWEZNQCLSA-N 1 2 345.874 3.429 20 30 EGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C/c1ccccc1C#N ZINC000192260378 455583947 /nfs/dbraw/zinc/58/39/47/455583947.db2.gz HNHYJEMEMCSCAZ-ZHACJKMWSA-N 1 2 336.439 3.269 20 30 EGEDLO C#CCOc1ccccc1C[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC000185610449 455584829 /nfs/dbraw/zinc/58/48/29/455584829.db2.gz OYGIEDWCNCGBLK-INIZCTEOSA-N 1 2 341.480 3.034 20 30 EGEDLO CCCc1nc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000292294228 455621777 /nfs/dbraw/zinc/62/17/77/455621777.db2.gz UKFOONGUXQOKRY-HNNXBMFYSA-N 1 2 328.441 3.016 20 30 EGEDLO CCCc1nc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000292294228 455621780 /nfs/dbraw/zinc/62/17/80/455621780.db2.gz UKFOONGUXQOKRY-HNNXBMFYSA-N 1 2 328.441 3.016 20 30 EGEDLO C=CC[N@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)C1CC1 ZINC000271448048 455640072 /nfs/dbraw/zinc/64/00/72/455640072.db2.gz NRPVQTJWNMLWBG-INIZCTEOSA-N 1 2 339.395 3.201 20 30 EGEDLO C=CC[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)C1CC1 ZINC000271448048 455640078 /nfs/dbraw/zinc/64/00/78/455640078.db2.gz NRPVQTJWNMLWBG-INIZCTEOSA-N 1 2 339.395 3.201 20 30 EGEDLO CC[N@@H+](Cc1ccc(C#N)cc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000186165580 455707390 /nfs/dbraw/zinc/70/73/90/455707390.db2.gz WXGNXYJQXKZDDL-UHFFFAOYSA-N 1 2 332.407 3.125 20 30 EGEDLO CC[N@H+](Cc1ccc(C#N)cc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000186165580 455707395 /nfs/dbraw/zinc/70/73/95/455707395.db2.gz WXGNXYJQXKZDDL-UHFFFAOYSA-N 1 2 332.407 3.125 20 30 EGEDLO CC[C@H](C)[C@H]([NH2+]Cc1ccc(OCC#N)cc1)C(=O)OC(C)(C)C ZINC000271789685 455760708 /nfs/dbraw/zinc/76/07/08/455760708.db2.gz AAESAISRVCLCCK-YOEHRIQHSA-N 1 2 332.444 3.435 20 30 EGEDLO CO[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000252348601 455803334 /nfs/dbraw/zinc/80/33/34/455803334.db2.gz CUYBJEPOWMLLDF-HUUCEWRRSA-N 1 2 347.484 3.130 20 30 EGEDLO CO[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000252348601 455803337 /nfs/dbraw/zinc/80/33/37/455803337.db2.gz CUYBJEPOWMLLDF-HUUCEWRRSA-N 1 2 347.484 3.130 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000253356553 455833975 /nfs/dbraw/zinc/83/39/75/455833975.db2.gz VGNUIUBMGLCLLZ-LNLFQRSKSA-N 1 2 328.456 3.038 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000253356553 455833979 /nfs/dbraw/zinc/83/39/79/455833979.db2.gz VGNUIUBMGLCLLZ-LNLFQRSKSA-N 1 2 328.456 3.038 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(OC)cc2OC(F)F)n1 ZINC000279478494 455865632 /nfs/dbraw/zinc/86/56/32/455865632.db2.gz WOJCJRGKSSXIRI-UHFFFAOYSA-N 1 2 349.381 3.148 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(OC)cc2OC(F)F)n1 ZINC000279478494 455865637 /nfs/dbraw/zinc/86/56/37/455865637.db2.gz WOJCJRGKSSXIRI-UHFFFAOYSA-N 1 2 349.381 3.148 20 30 EGEDLO C=C(C)[C@H](CC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)OCC ZINC000270068406 455870969 /nfs/dbraw/zinc/87/09/69/455870969.db2.gz QYVSSMWZXUESTF-APWZRJJASA-N 1 2 346.471 3.390 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194962580 455906609 /nfs/dbraw/zinc/90/66/09/455906609.db2.gz ZBRGSQNRGKGUEZ-UHFFFAOYSA-N 1 2 336.420 3.095 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194962580 455906614 /nfs/dbraw/zinc/90/66/14/455906614.db2.gz ZBRGSQNRGKGUEZ-UHFFFAOYSA-N 1 2 336.420 3.095 20 30 EGEDLO C#CCOc1ccc([C@H](C)[NH2+]Cc2ncc(C(F)(F)F)cn2)cc1 ZINC000296413560 455931737 /nfs/dbraw/zinc/93/17/37/455931737.db2.gz KZZUMKXIIONHBW-LBPRGKRZSA-N 1 2 335.329 3.358 20 30 EGEDLO C[C@H](C#N)CN(C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270398536 455946820 /nfs/dbraw/zinc/94/68/20/455946820.db2.gz YVNCRHCKWWOLQC-CQSZACIVSA-N 1 2 335.411 3.225 20 30 EGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000272484761 455967210 /nfs/dbraw/zinc/96/72/10/455967210.db2.gz AFUUSUNPDTUHEP-ZIAGYGMSSA-N 1 2 339.399 3.112 20 30 EGEDLO Cc1oc(C#N)cc1C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000280546581 455996102 /nfs/dbraw/zinc/99/61/02/455996102.db2.gz DIZHCUQCTMKUBH-UHFFFAOYSA-N 1 2 348.406 3.219 20 30 EGEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000287835436 456079607 /nfs/dbraw/zinc/07/96/07/456079607.db2.gz WHBUPXUJHAMCLF-UHFFFAOYSA-N 1 2 347.409 3.050 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000289315047 456122113 /nfs/dbraw/zinc/12/21/13/456122113.db2.gz JMPSLDMPRIYNSG-HNNXBMFYSA-N 1 2 332.407 3.070 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC=C(c2cccnc2)C1 ZINC000289315047 456122118 /nfs/dbraw/zinc/12/21/18/456122118.db2.gz JMPSLDMPRIYNSG-HNNXBMFYSA-N 1 2 332.407 3.070 20 30 EGEDLO C#C[C@@H](NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1)C(C)C ZINC000281146827 456147236 /nfs/dbraw/zinc/14/72/36/456147236.db2.gz VSNQHXOAEBPCOY-CVEARBPZSA-N 1 2 344.846 3.120 20 30 EGEDLO C=CCc1cc(C[NH2+]Cc2csc(COC)n2)cc(OC)c1O ZINC000289880989 456167116 /nfs/dbraw/zinc/16/71/16/456167116.db2.gz RXBCKWAKGJVCCP-UHFFFAOYSA-N 1 2 334.441 3.022 20 30 EGEDLO C=CCCCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000274607647 456262052 /nfs/dbraw/zinc/26/20/52/456262052.db2.gz SSHZIYRWBBJOCV-MRXNPFEDSA-N 1 2 330.407 3.304 20 30 EGEDLO Cc1nn(C(C)C)cc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000281607194 456274428 /nfs/dbraw/zinc/27/44/28/456274428.db2.gz MRNCJYVMKGZJMP-HXUWFJFHSA-N 1 2 337.471 3.155 20 30 EGEDLO N#CCC[C@@H]([NH2+]Cc1ncc(C2OCCO2)s1)c1ccccc1 ZINC000290382806 456312082 /nfs/dbraw/zinc/31/20/82/456312082.db2.gz OEHUYPAFTCCLNL-CQSZACIVSA-N 1 2 329.425 3.323 20 30 EGEDLO Cn1c2cc(F)ccc2[nH+]c1CCNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000302211503 456318185 /nfs/dbraw/zinc/31/81/85/456318185.db2.gz MOVZAHDMZGBCPQ-UHFFFAOYSA-N 1 2 339.330 3.147 20 30 EGEDLO COC(=O)c1cccc(C#Cc2cccc(NCc3c[nH+]cn3C)c2)c1 ZINC000347716379 456323133 /nfs/dbraw/zinc/32/31/33/456323133.db2.gz ALXVROQZEWAAKN-UHFFFAOYSA-N 1 2 345.402 3.219 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2c(Cl)ccc3cccnc32)C1=O ZINC000337229964 456339681 /nfs/dbraw/zinc/33/96/81/456339681.db2.gz SKHFWGUTZISDLX-MRXNPFEDSA-N 1 2 329.831 3.107 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2c(Cl)ccc3cccnc32)C1=O ZINC000337229964 456339683 /nfs/dbraw/zinc/33/96/83/456339683.db2.gz SKHFWGUTZISDLX-MRXNPFEDSA-N 1 2 329.831 3.107 20 30 EGEDLO C[N@H+](Cc1cccc(C#N)c1F)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000352867439 456376001 /nfs/dbraw/zinc/37/60/01/456376001.db2.gz JRJIZHJRADAWML-GOSISDBHSA-N 1 2 337.398 3.325 20 30 EGEDLO C[N@@H+](Cc1cccc(C#N)c1F)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000352867439 456376003 /nfs/dbraw/zinc/37/60/03/456376003.db2.gz JRJIZHJRADAWML-GOSISDBHSA-N 1 2 337.398 3.325 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1nnc(-c2ccccc2)o1 ZINC000352876520 456382730 /nfs/dbraw/zinc/38/27/30/456382730.db2.gz NOKOAYMBMAKRLI-UHFFFAOYSA-N 1 2 339.395 3.400 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1nnc(-c2ccccc2)o1 ZINC000352876520 456382737 /nfs/dbraw/zinc/38/27/37/456382737.db2.gz NOKOAYMBMAKRLI-UHFFFAOYSA-N 1 2 339.395 3.400 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)N(C(C)C)C1CCCC1)Cc1ccc(CO)o1 ZINC000352886171 456389906 /nfs/dbraw/zinc/38/99/06/456389906.db2.gz OZGFGZGTOVDMJQ-UHFFFAOYSA-N 1 2 348.487 3.330 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)N(C(C)C)C1CCCC1)Cc1ccc(CO)o1 ZINC000352886171 456389911 /nfs/dbraw/zinc/38/99/11/456389911.db2.gz OZGFGZGTOVDMJQ-UHFFFAOYSA-N 1 2 348.487 3.330 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](Cc2cccc(C)c2)Cc2ccccn2)C1=O ZINC000282031458 456394998 /nfs/dbraw/zinc/39/49/98/456394998.db2.gz QBXUMYLGSJPWMA-HXUWFJFHSA-N 1 2 335.451 3.179 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](Cc2cccc(C)c2)Cc2ccccn2)C1=O ZINC000282031458 456395004 /nfs/dbraw/zinc/39/50/04/456395004.db2.gz QBXUMYLGSJPWMA-HXUWFJFHSA-N 1 2 335.451 3.179 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1c1ccc(C#N)cc1[N+](=O)[O-] ZINC000282122923 456418535 /nfs/dbraw/zinc/41/85/35/456418535.db2.gz ZYPSXHDAUJPKAQ-HNNXBMFYSA-N 1 2 325.372 3.414 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)N1CCC(C)CC1)Cc1cnn(C(C)C)c1 ZINC000352952312 456423313 /nfs/dbraw/zinc/42/33/13/456423313.db2.gz QIXNJWNOWGZQAI-UHFFFAOYSA-N 1 2 332.492 3.101 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)N1CCC(C)CC1)Cc1cnn(C(C)C)c1 ZINC000352952312 456423319 /nfs/dbraw/zinc/42/33/19/456423319.db2.gz QIXNJWNOWGZQAI-UHFFFAOYSA-N 1 2 332.492 3.101 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000343280225 456504566 /nfs/dbraw/zinc/50/45/66/456504566.db2.gz FDAIODFHDHUHJB-KRWDZBQOSA-N 1 2 348.366 3.311 20 30 EGEDLO N#C[C@@H](CCc1ccccc1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343337634 456540213 /nfs/dbraw/zinc/54/02/13/456540213.db2.gz AVTVPKHDAWBQQG-GOSISDBHSA-N 1 2 345.406 3.037 20 30 EGEDLO COCc1nc(C[NH2+]Cc2cccc(OCCCC#N)c2)cs1 ZINC000353232488 456575681 /nfs/dbraw/zinc/57/56/81/456575681.db2.gz VPJSIUPPXNTTIC-UHFFFAOYSA-N 1 2 331.441 3.262 20 30 EGEDLO Cc1ccc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)nc1 ZINC000348316383 456617938 /nfs/dbraw/zinc/61/79/38/456617938.db2.gz JQSDIMDIIBHKMU-IBGZPJMESA-N 1 2 340.858 3.426 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCNc1ncc(Cl)c(C)c1C#N ZINC000343507545 456667476 /nfs/dbraw/zinc/66/74/76/456667476.db2.gz IOTISJLZHRIDEX-UHFFFAOYSA-N 1 2 325.803 3.107 20 30 EGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N(Cc1cccnc1)C(C)C)CCC2 ZINC000328666266 456732619 /nfs/dbraw/zinc/73/26/19/456732619.db2.gz ZTRIYFPFTIOTLA-QGZVFWFLSA-N 1 2 341.459 3.289 20 30 EGEDLO CC(C)(CCC#N)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000340888578 456742920 /nfs/dbraw/zinc/74/29/20/456742920.db2.gz FQXCSAJNTDDRRA-UHFFFAOYSA-N 1 2 346.431 3.169 20 30 EGEDLO CC(C)(C)OCCO[NH+]=C(N)c1cccc(OCc2cccnc2)c1 ZINC000299693460 456765576 /nfs/dbraw/zinc/76/55/76/456765576.db2.gz NZUAOXWGCRHUBZ-UHFFFAOYSA-N 1 2 343.427 3.113 20 30 EGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC(C#N)CC3)n2)C1 ZINC000328811546 456767197 /nfs/dbraw/zinc/76/71/97/456767197.db2.gz FFQGPITZKKNCND-ZDUSSCGKSA-N 1 2 347.488 3.156 20 30 EGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC(C#N)CC3)n2)C1 ZINC000328811546 456767202 /nfs/dbraw/zinc/76/72/02/456767202.db2.gz FFQGPITZKKNCND-ZDUSSCGKSA-N 1 2 347.488 3.156 20 30 EGEDLO O=C(N[C@@H]1CCCN(c2ccccc2F)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328954226 456800188 /nfs/dbraw/zinc/80/01/88/456800188.db2.gz YHZUOQOKFBSOJL-LSDHHAIUSA-N 1 2 342.418 3.210 20 30 EGEDLO N#Cc1ccc(Cl)c(C(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000348651035 456800701 /nfs/dbraw/zinc/80/07/01/456800701.db2.gz GURRWNACVFKCLY-UHFFFAOYSA-N 1 2 345.855 3.231 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(N)[nH+]c1 ZINC000338441808 456821779 /nfs/dbraw/zinc/82/17/79/456821779.db2.gz XNLXTTXRYUBKKO-LBPRGKRZSA-N 1 2 341.440 3.210 20 30 EGEDLO N#CC1(F)CC[NH+](Cc2cc(Br)cc3c2OCC3)CC1 ZINC000348710797 456823721 /nfs/dbraw/zinc/82/37/21/456823721.db2.gz DLTVSNLVSNWSKK-UHFFFAOYSA-N 1 2 339.208 3.212 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CC[S@](=O)C[C@@H](C)C2)cc1Cl ZINC000277477300 456838291 /nfs/dbraw/zinc/83/82/91/456838291.db2.gz MMFVHFIBDZHAQW-ZSEKCTLFSA-N 1 2 327.877 3.105 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CC[S@](=O)C[C@@H](C)C2)cc1Cl ZINC000277477300 456838296 /nfs/dbraw/zinc/83/82/96/456838296.db2.gz MMFVHFIBDZHAQW-ZSEKCTLFSA-N 1 2 327.877 3.105 20 30 EGEDLO C[C@@H]1CC[C@H](C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)C1 ZINC000329202188 456852229 /nfs/dbraw/zinc/85/22/29/456852229.db2.gz CEFUJTTUJQBMKB-OLZOCXBDSA-N 1 2 328.416 3.424 20 30 EGEDLO COc1ccc(CC(N)=[NH+]OCc2ccc(C(F)(F)F)cn2)cc1 ZINC000277532192 456855213 /nfs/dbraw/zinc/85/52/13/456855213.db2.gz GDXIUATZJUISOY-UHFFFAOYSA-N 1 2 339.317 3.141 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(C)c3)C2)[nH]1 ZINC000329254948 456862456 /nfs/dbraw/zinc/86/24/56/456862456.db2.gz ALZGNTJMVHINAR-UKRRQHHQSA-N 1 2 327.432 3.278 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(C)c3)C2)[nH]1 ZINC000329254948 456862460 /nfs/dbraw/zinc/86/24/60/456862460.db2.gz ALZGNTJMVHINAR-UKRRQHHQSA-N 1 2 327.432 3.278 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(C)c3)C2)n1 ZINC000329254948 456862465 /nfs/dbraw/zinc/86/24/65/456862465.db2.gz ALZGNTJMVHINAR-UKRRQHHQSA-N 1 2 327.432 3.278 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(C)c3)C2)n1 ZINC000329254948 456862468 /nfs/dbraw/zinc/86/24/68/456862468.db2.gz ALZGNTJMVHINAR-UKRRQHHQSA-N 1 2 327.432 3.278 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(C)c3)C2)n[nH]1 ZINC000329254948 456862473 /nfs/dbraw/zinc/86/24/73/456862473.db2.gz ALZGNTJMVHINAR-UKRRQHHQSA-N 1 2 327.432 3.278 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(C)c3)C2)n[nH]1 ZINC000329254948 456862477 /nfs/dbraw/zinc/86/24/77/456862477.db2.gz ALZGNTJMVHINAR-UKRRQHHQSA-N 1 2 327.432 3.278 20 30 EGEDLO O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)[C@@H]1CCCCS1 ZINC000329326136 456872807 /nfs/dbraw/zinc/87/28/07/456872807.db2.gz JEFSVCHOWWHESP-HNNXBMFYSA-N 1 2 346.456 3.273 20 30 EGEDLO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+]1CCOCC2(CC2)C1 ZINC000329329012 456873770 /nfs/dbraw/zinc/87/37/70/456873770.db2.gz YANCGWWEAFHGDY-UHFFFAOYSA-N 1 2 338.835 3.357 20 30 EGEDLO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+]1CCOCC2(CC2)C1 ZINC000329329012 456873773 /nfs/dbraw/zinc/87/37/73/456873773.db2.gz YANCGWWEAFHGDY-UHFFFAOYSA-N 1 2 338.835 3.357 20 30 EGEDLO N#Cc1cccc(CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000341655191 456885803 /nfs/dbraw/zinc/88/58/03/456885803.db2.gz IAINJZYHXWRYPB-SFHVURJKSA-N 1 2 330.391 3.120 20 30 EGEDLO [O-]C(=[NH+]c1cnc2c(c1)CCCC2)N1CCC(n2cc[nH+]c2)CC1 ZINC000329447028 456891982 /nfs/dbraw/zinc/89/19/82/456891982.db2.gz LFYOSBMIRLOXDT-UHFFFAOYSA-N 1 2 325.416 3.040 20 30 EGEDLO O=C(Nc1cnc2c(c1)CCCC2)N1CCC(n2cc[nH+]c2)CC1 ZINC000329447028 456891986 /nfs/dbraw/zinc/89/19/86/456891986.db2.gz LFYOSBMIRLOXDT-UHFFFAOYSA-N 1 2 325.416 3.040 20 30 EGEDLO Cc1nnc([C@H]2CCC[N@H+](CC(=O)Nc3c(C)cccc3C)C2)[nH]1 ZINC000329482603 456897808 /nfs/dbraw/zinc/89/78/08/456897808.db2.gz RMZPJZULVLBOLL-HNNXBMFYSA-N 1 2 327.432 3.198 20 30 EGEDLO Cc1nnc([C@H]2CCC[N@@H+](CC(=O)Nc3c(C)cccc3C)C2)[nH]1 ZINC000329482603 456897810 /nfs/dbraw/zinc/89/78/10/456897810.db2.gz RMZPJZULVLBOLL-HNNXBMFYSA-N 1 2 327.432 3.198 20 30 EGEDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC(=O)Nc3c(C)cccc3C)C2)n1 ZINC000329482603 456897815 /nfs/dbraw/zinc/89/78/15/456897815.db2.gz RMZPJZULVLBOLL-HNNXBMFYSA-N 1 2 327.432 3.198 20 30 EGEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC(=O)Nc3c(C)cccc3C)C2)n1 ZINC000329482603 456897820 /nfs/dbraw/zinc/89/78/20/456897820.db2.gz RMZPJZULVLBOLL-HNNXBMFYSA-N 1 2 327.432 3.198 20 30 EGEDLO O=C(C[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1)NCC1CC1 ZINC000329491979 456899059 /nfs/dbraw/zinc/89/90/59/456899059.db2.gz VVJDOCRXZACZKG-INIZCTEOSA-N 1 2 345.491 3.398 20 30 EGEDLO O=C(C[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1)NCC1CC1 ZINC000329491979 456899063 /nfs/dbraw/zinc/89/90/63/456899063.db2.gz VVJDOCRXZACZKG-INIZCTEOSA-N 1 2 345.491 3.398 20 30 EGEDLO O=C(C[N@@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1)NCC1CC1 ZINC000329491979 456899067 /nfs/dbraw/zinc/89/90/67/456899067.db2.gz VVJDOCRXZACZKG-INIZCTEOSA-N 1 2 345.491 3.398 20 30 EGEDLO O=C(C[N@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1)NCC1CC1 ZINC000329491979 456899072 /nfs/dbraw/zinc/89/90/72/456899072.db2.gz VVJDOCRXZACZKG-INIZCTEOSA-N 1 2 345.491 3.398 20 30 EGEDLO C=CCOc1cccc(NC(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000349180282 456904801 /nfs/dbraw/zinc/90/48/01/456904801.db2.gz XASSOQASLXVGRQ-MRXNPFEDSA-N 1 2 326.400 3.258 20 30 EGEDLO O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)[C@@H]1CCCSC1 ZINC000329719778 456931769 /nfs/dbraw/zinc/93/17/69/456931769.db2.gz AHCYDWUHBJNJET-GFCCVEGCSA-N 1 2 346.456 3.131 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1[nH+]ccn1C ZINC000341775099 456939272 /nfs/dbraw/zinc/93/92/72/456939272.db2.gz SIICDOHMRXOHCH-CYBMUJFWSA-N 1 2 343.456 3.336 20 30 EGEDLO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1NC([O-])=[NH+]C[C@H]1COCCO1 ZINC000329865080 456952700 /nfs/dbraw/zinc/95/27/00/456952700.db2.gz TYCOAFJQRLKIRE-RDJZCZTQSA-N 1 2 347.459 3.115 20 30 EGEDLO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1NC([O-])=[NH+]C[C@H]1COCCO1 ZINC000329865080 456952703 /nfs/dbraw/zinc/95/27/03/456952703.db2.gz TYCOAFJQRLKIRE-RDJZCZTQSA-N 1 2 347.459 3.115 20 30 EGEDLO Cc1cccc(C)c1NC(=O)C[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330100525 456984814 /nfs/dbraw/zinc/98/48/14/456984814.db2.gz DXCPLBSNZDBSDJ-VQIMIIECSA-N 1 2 332.444 3.161 20 30 EGEDLO Cc1cccc(C)c1NC(=O)C[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330100525 456984816 /nfs/dbraw/zinc/98/48/16/456984816.db2.gz DXCPLBSNZDBSDJ-VQIMIIECSA-N 1 2 332.444 3.161 20 30 EGEDLO C[C@@H]1C[N@H+](CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C[C@@]2(CCCOC2)O1 ZINC000330099499 456984967 /nfs/dbraw/zinc/98/49/67/456984967.db2.gz DBXFCZLECGKKSA-HTBDUDNFSA-N 1 2 338.492 3.038 20 30 EGEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C[C@@]2(CCCOC2)O1 ZINC000330099499 456984971 /nfs/dbraw/zinc/98/49/71/456984971.db2.gz DBXFCZLECGKKSA-HTBDUDNFSA-N 1 2 338.492 3.038 20 30 EGEDLO Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000330105077 456985554 /nfs/dbraw/zinc/98/55/54/456985554.db2.gz IBXGQCNYXVGKOR-BXWFABGCSA-N 1 2 332.444 3.241 20 30 EGEDLO Cc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000330105077 456985555 /nfs/dbraw/zinc/98/55/55/456985555.db2.gz IBXGQCNYXVGKOR-BXWFABGCSA-N 1 2 332.444 3.241 20 30 EGEDLO O=C(N[C@@H]1CCOC2(CCCCC2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000330218443 457005240 /nfs/dbraw/zinc/00/52/40/457005240.db2.gz JJQKQTUFBUYWDQ-MRXNPFEDSA-N 1 2 346.475 3.385 20 30 EGEDLO O=C(N[C@@H]1CCOC2(CCCCC2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000330218443 457005241 /nfs/dbraw/zinc/00/52/41/457005241.db2.gz JJQKQTUFBUYWDQ-MRXNPFEDSA-N 1 2 346.475 3.385 20 30 EGEDLO C[C@@H](C1CC1)n1cc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000330257001 457014284 /nfs/dbraw/zinc/01/42/84/457014284.db2.gz QKLOUBAZUHJMRU-GXTWGEPZSA-N 1 2 328.420 3.002 20 30 EGEDLO C[C@@H](C1CC1)n1cc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000330257002 457014443 /nfs/dbraw/zinc/01/44/43/457014443.db2.gz QKLOUBAZUHJMRU-JSGCOSHPSA-N 1 2 328.420 3.002 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000330276834 457019888 /nfs/dbraw/zinc/01/98/88/457019888.db2.gz NMDPZGHUPXTQRY-HOTGVXAUSA-N 1 2 346.475 3.446 20 30 EGEDLO CCN1CCN(C(=O)Nc2cccc(C(C)C)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330288503 457021906 /nfs/dbraw/zinc/02/19/06/457021906.db2.gz DBKLHCRCBVTAFA-QGZVFWFLSA-N 1 2 341.459 3.457 20 30 EGEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccc2c(c1)NC(=O)CCS2 ZINC000330304892 457024283 /nfs/dbraw/zinc/02/42/83/457024283.db2.gz KRAJSAXIUSHQSH-LBPRGKRZSA-N 1 2 342.424 3.287 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[NH2+]C3(c4cccc(C#N)c4)CC3)o2)c1 ZINC000341966569 457030240 /nfs/dbraw/zinc/03/02/40/457030240.db2.gz JTWGVODRLQOAAR-UHFFFAOYSA-N 1 2 341.374 3.259 20 30 EGEDLO Cc1cc([N@H+]2CCCC[C@H]2C)ccc1NC([O-])=[NH+][C@H]1[C@@H]2COC[C@@H]21 ZINC000330360490 457035039 /nfs/dbraw/zinc/03/50/39/457035039.db2.gz XEEUWFMPWGZSSY-KBEGMRNHSA-N 1 2 329.444 3.345 20 30 EGEDLO Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1NC([O-])=[NH+][C@H]1[C@@H]2COC[C@@H]21 ZINC000330360490 457035043 /nfs/dbraw/zinc/03/50/43/457035043.db2.gz XEEUWFMPWGZSSY-KBEGMRNHSA-N 1 2 329.444 3.345 20 30 EGEDLO CC(C)[C@@H](CNC(=O)c1csc(C(C)(C)C)n1)[NH+]1CCOCC1 ZINC000330458820 457046332 /nfs/dbraw/zinc/04/63/32/457046332.db2.gz ZGLJGJXKXKNBLR-CQSZACIVSA-N 1 2 339.505 3.102 20 30 EGEDLO CN(Cc1[nH+]ccn1C)C(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000330709043 457073844 /nfs/dbraw/zinc/07/38/44/457073844.db2.gz ROJLOPUMEVBQQD-NWDGAFQWSA-N 1 2 332.370 3.135 20 30 EGEDLO CC1(C#N)CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000330786495 457085254 /nfs/dbraw/zinc/08/52/54/457085254.db2.gz VUNQICQSUHYPHQ-UHFFFAOYSA-N 1 2 326.356 3.375 20 30 EGEDLO N#Cc1ccnc(N2CC[NH+](C/C=C\c3ccc(F)cc3F)CC2)c1 ZINC000349959740 457121951 /nfs/dbraw/zinc/12/19/51/457121951.db2.gz DLLYXCUUXSNHOW-UPHRSURJSA-N 1 2 340.377 3.067 20 30 EGEDLO N#Cc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)s1 ZINC000362913959 457153152 /nfs/dbraw/zinc/15/31/52/457153152.db2.gz UYFDDORVCNDSRF-UHFFFAOYSA-N 1 2 332.454 3.314 20 30 EGEDLO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000350060627 457159006 /nfs/dbraw/zinc/15/90/06/457159006.db2.gz SRDATWAVRMGLBY-QRQLOZEOSA-N 1 2 325.456 3.159 20 30 EGEDLO C[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000350060627 457159012 /nfs/dbraw/zinc/15/90/12/457159012.db2.gz SRDATWAVRMGLBY-QRQLOZEOSA-N 1 2 325.456 3.159 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCc4c(F)cccc4C3)o2)c1 ZINC000339789480 457271544 /nfs/dbraw/zinc/27/15/44/457271544.db2.gz ASWNQWNYNBAWNJ-UHFFFAOYSA-N 1 2 334.354 3.306 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCc4c(F)cccc4C3)o2)c1 ZINC000339789480 457271550 /nfs/dbraw/zinc/27/15/50/457271550.db2.gz ASWNQWNYNBAWNJ-UHFFFAOYSA-N 1 2 334.354 3.306 20 30 EGEDLO C=CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000342389340 457274298 /nfs/dbraw/zinc/27/42/98/457274298.db2.gz XBTDOOSSZVNEHA-UHFFFAOYSA-N 1 2 345.424 3.307 20 30 EGEDLO C=CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000342389340 457274301 /nfs/dbraw/zinc/27/43/01/457274301.db2.gz XBTDOOSSZVNEHA-UHFFFAOYSA-N 1 2 345.424 3.307 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cnn(CC(F)F)c1 ZINC000351760862 457316866 /nfs/dbraw/zinc/31/68/66/457316866.db2.gz PAFGDJPCCCRYNY-IRXDYDNUSA-N 1 2 330.382 3.420 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cnn(CC(F)F)c1 ZINC000351760862 457316868 /nfs/dbraw/zinc/31/68/68/457316868.db2.gz PAFGDJPCCCRYNY-IRXDYDNUSA-N 1 2 330.382 3.420 20 30 EGEDLO C=CCCC1(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)CC1 ZINC000354820297 457321429 /nfs/dbraw/zinc/32/14/29/457321429.db2.gz QRUXUANFGTZBAD-IBGZPJMESA-N 1 2 342.483 3.231 20 30 EGEDLO N#CCc1ccc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000340034411 457322484 /nfs/dbraw/zinc/32/24/84/457322484.db2.gz VABSXUJHQIZGPY-DAXSKMNVSA-N 1 2 345.446 3.224 20 30 EGEDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1cc2cccc(F)c2o1 ZINC000355731802 457408784 /nfs/dbraw/zinc/40/87/84/457408784.db2.gz QRQMFSOUCMXQIY-GTNSWQLSSA-N 1 2 337.354 3.321 20 30 EGEDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1cc2cccc(F)c2o1 ZINC000355731800 457409502 /nfs/dbraw/zinc/40/95/02/457409502.db2.gz QRQMFSOUCMXQIY-DIFFPNOSSA-N 1 2 337.354 3.321 20 30 EGEDLO C[N@H+](CCOc1cccc(C#N)c1)Cc1nc(-c2cccs2)no1 ZINC000352551667 457461258 /nfs/dbraw/zinc/46/12/58/457461258.db2.gz ZRTMBJXHUXLAMT-UHFFFAOYSA-N 1 2 340.408 3.181 20 30 EGEDLO C[N@@H+](CCOc1cccc(C#N)c1)Cc1nc(-c2cccs2)no1 ZINC000352551667 457461266 /nfs/dbraw/zinc/46/12/66/457461266.db2.gz ZRTMBJXHUXLAMT-UHFFFAOYSA-N 1 2 340.408 3.181 20 30 EGEDLO Cc1cc(N2CCN(c3ccc(F)cc3Cl)CC2)c(C#N)c[nH+]1 ZINC000425251486 457473016 /nfs/dbraw/zinc/47/30/16/457473016.db2.gz XTQDQWNQOZTIHT-UHFFFAOYSA-N 1 2 330.794 3.381 20 30 EGEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000425395741 457535452 /nfs/dbraw/zinc/53/54/52/457535452.db2.gz IPOIMCOESQEGFX-HNNXBMFYSA-N 1 2 347.422 3.151 20 30 EGEDLO Cn1ncc(C(=O)Nc2ccc3[nH]c(C4CCCCC4)[nH+]c3c2)c1C#N ZINC000356310684 457567990 /nfs/dbraw/zinc/56/79/90/457567990.db2.gz VBQBRXGVJNPVRM-UHFFFAOYSA-N 1 2 348.410 3.468 20 30 EGEDLO C[N@@H+]1CCN(C(=O)[C@@H](C#N)CCc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000433231282 457785203 /nfs/dbraw/zinc/78/52/03/457785203.db2.gz XPUIGLUFEVAETQ-NHCUHLMSSA-N 1 2 347.462 3.274 20 30 EGEDLO C[N@H+]1CCN(C(=O)[C@@H](C#N)CCc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000433231282 457785209 /nfs/dbraw/zinc/78/52/09/457785209.db2.gz XPUIGLUFEVAETQ-NHCUHLMSSA-N 1 2 347.462 3.274 20 30 EGEDLO C=CCN(CC=C)C(=O)CNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000371395667 457906658 /nfs/dbraw/zinc/90/66/58/457906658.db2.gz JENWBRRHKKHEMU-UHFFFAOYSA-N 1 2 348.450 3.214 20 30 EGEDLO CCc1ccccc1NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367065408 457926433 /nfs/dbraw/zinc/92/64/33/457926433.db2.gz IFWKOSWYZHOSKT-UHFFFAOYSA-N 1 2 348.450 3.140 20 30 EGEDLO COc1cc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc(OC)c1 ZINC000371462300 457942461 /nfs/dbraw/zinc/94/24/61/457942461.db2.gz CARULKYHEDXQIP-HXUWFJFHSA-N 1 2 338.407 3.149 20 30 EGEDLO COc1cc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc(OC)c1 ZINC000371462300 457942469 /nfs/dbraw/zinc/94/24/69/457942469.db2.gz CARULKYHEDXQIP-HXUWFJFHSA-N 1 2 338.407 3.149 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3ccc(N4CCCC4)nc3)CCO2)c1 ZINC000371462947 457944358 /nfs/dbraw/zinc/94/43/58/457944358.db2.gz GKONHDNPSWPNAH-HXUWFJFHSA-N 1 2 348.450 3.127 20 30 EGEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccc(N4CCCC4)nc3)CCO2)c1 ZINC000371462947 457944363 /nfs/dbraw/zinc/94/43/63/457944363.db2.gz GKONHDNPSWPNAH-HXUWFJFHSA-N 1 2 348.450 3.127 20 30 EGEDLO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+](CC)C[C@H](C)C#N)cc1 ZINC000358523321 458054997 /nfs/dbraw/zinc/05/49/97/458054997.db2.gz ACLIGFLHKLGVTO-APWZRJJASA-N 1 2 343.471 3.230 20 30 EGEDLO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](CC)C[C@H](C)C#N)cc1 ZINC000358523321 458055008 /nfs/dbraw/zinc/05/50/08/458055008.db2.gz ACLIGFLHKLGVTO-APWZRJJASA-N 1 2 343.471 3.230 20 30 EGEDLO N#Cc1ccccc1/C=C\c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000445816415 458093570 /nfs/dbraw/zinc/09/35/70/458093570.db2.gz WCVUANNKUNNCMH-MGSINWNPSA-N 1 2 336.395 3.037 20 30 EGEDLO N#Cc1ccccc1/C=C\c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000445816415 458093573 /nfs/dbraw/zinc/09/35/73/458093573.db2.gz WCVUANNKUNNCMH-MGSINWNPSA-N 1 2 336.395 3.037 20 30 EGEDLO CC(C)N(C(=O)C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1)C(C)C ZINC000362436425 458174805 /nfs/dbraw/zinc/17/48/05/458174805.db2.gz GERTVEWIAFGXTI-OALUTQOASA-N 1 2 327.472 3.404 20 30 EGEDLO CC(C)N(C(=O)C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1)C(C)C ZINC000362436425 458174810 /nfs/dbraw/zinc/17/48/10/458174810.db2.gz GERTVEWIAFGXTI-OALUTQOASA-N 1 2 327.472 3.404 20 30 EGEDLO Cc1nc2ccccc2nc1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000376211616 458235321 /nfs/dbraw/zinc/23/53/21/458235321.db2.gz QPNFIJMKSZEQOI-NRFANRHFSA-N 1 2 344.418 3.383 20 30 EGEDLO Cc1nc2ccccc2nc1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000376211616 458235328 /nfs/dbraw/zinc/23/53/28/458235328.db2.gz QPNFIJMKSZEQOI-NRFANRHFSA-N 1 2 344.418 3.383 20 30 EGEDLO CC1(C)C[N@H+](CCCOc2cccc(C#N)c2)C[C@H](C(F)(F)F)O1 ZINC000428940983 458237663 /nfs/dbraw/zinc/23/76/63/458237663.db2.gz SSYMOOLYINTZOX-OAHLLOKOSA-N 1 2 342.361 3.369 20 30 EGEDLO CC1(C)C[N@@H+](CCCOc2cccc(C#N)c2)C[C@H](C(F)(F)F)O1 ZINC000428940983 458237667 /nfs/dbraw/zinc/23/76/67/458237667.db2.gz SSYMOOLYINTZOX-OAHLLOKOSA-N 1 2 342.361 3.369 20 30 EGEDLO C[N@H+](CCC#N)Cc1ccc(I)c(Cl)c1 ZINC000436157725 458261523 /nfs/dbraw/zinc/26/15/23/458261523.db2.gz ZKWRHCBHGJMPHI-UHFFFAOYSA-N 1 2 334.588 3.290 20 30 EGEDLO C[N@@H+](CCC#N)Cc1ccc(I)c(Cl)c1 ZINC000436157725 458261530 /nfs/dbraw/zinc/26/15/30/458261530.db2.gz ZKWRHCBHGJMPHI-UHFFFAOYSA-N 1 2 334.588 3.290 20 30 EGEDLO N#Cc1cnc(NCc2ccc(N3CCCCCC3)[nH+]c2)c(F)c1 ZINC000413061974 458292559 /nfs/dbraw/zinc/29/25/59/458292559.db2.gz OQMUNSRCUIFARR-UHFFFAOYSA-N 1 2 325.391 3.480 20 30 EGEDLO C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)c1ncn(C)n1 ZINC000436398730 458300181 /nfs/dbraw/zinc/30/01/81/458300181.db2.gz AQDGWROMEZMZDH-OAHLLOKOSA-N 1 2 347.422 3.117 20 30 EGEDLO CC(C)[N@H+](Cc1ccc(S(C)(=O)=O)s1)Cc1ccc(C#N)cc1 ZINC000414373400 458318250 /nfs/dbraw/zinc/31/82/50/458318250.db2.gz RXTWQMGISBEPRH-UHFFFAOYSA-N 1 2 348.493 3.434 20 30 EGEDLO CC(C)[N@@H+](Cc1ccc(S(C)(=O)=O)s1)Cc1ccc(C#N)cc1 ZINC000414373400 458318254 /nfs/dbraw/zinc/31/82/54/458318254.db2.gz RXTWQMGISBEPRH-UHFFFAOYSA-N 1 2 348.493 3.434 20 30 EGEDLO Cc1cccc2nc(C[NH+]3CCC(C#N)(c4ccccn4)CC3)cn21 ZINC000376735879 458379158 /nfs/dbraw/zinc/37/91/58/458379158.db2.gz IRSZXRONHBODQR-UHFFFAOYSA-N 1 2 331.423 3.095 20 30 EGEDLO C=CCN(C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000429961170 458385654 /nfs/dbraw/zinc/38/56/54/458385654.db2.gz JYKNEZOVDWUGFM-HNNXBMFYSA-N 1 2 339.842 3.443 20 30 EGEDLO C=CC[N@H+]1CCOC[C@H]1c1c(C)nn(-c2cccc(OC)c2)c1C ZINC000373123526 458403512 /nfs/dbraw/zinc/40/35/12/458403512.db2.gz IFZVYEGUEAQOBT-SFHVURJKSA-N 1 2 327.428 3.057 20 30 EGEDLO C=CC[N@@H+]1CCOC[C@H]1c1c(C)nn(-c2cccc(OC)c2)c1C ZINC000373123526 458403518 /nfs/dbraw/zinc/40/35/18/458403518.db2.gz IFZVYEGUEAQOBT-SFHVURJKSA-N 1 2 327.428 3.057 20 30 EGEDLO CC[C@@H]1C[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@@H](CC)O1 ZINC000420959240 458405949 /nfs/dbraw/zinc/40/59/49/458405949.db2.gz QCSSAXAKJQXAAF-QXAKKESOSA-N 1 2 343.471 3.211 20 30 EGEDLO COc1cc(F)cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000449042720 458419521 /nfs/dbraw/zinc/41/95/21/458419521.db2.gz UHTUXHABEMWQNN-IBGZPJMESA-N 1 2 326.371 3.279 20 30 EGEDLO COc1cc(F)cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000449042720 458419525 /nfs/dbraw/zinc/41/95/25/458419525.db2.gz UHTUXHABEMWQNN-IBGZPJMESA-N 1 2 326.371 3.279 20 30 EGEDLO CCOc1cc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)ccc1OC ZINC000459612726 458428427 /nfs/dbraw/zinc/42/84/27/458428427.db2.gz MNYDZQOEYOFRCF-UHFFFAOYSA-N 1 2 338.407 3.229 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)CCCC1 ZINC000449842005 458432112 /nfs/dbraw/zinc/43/21/12/458432112.db2.gz XHWOHABNWLEGMT-UHFFFAOYSA-N 1 2 328.456 3.173 20 30 EGEDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1CC1(C#N)CCC1 ZINC000450563103 458452022 /nfs/dbraw/zinc/45/20/22/458452022.db2.gz HCCJSMGUIMWPIN-INIZCTEOSA-N 1 2 327.428 3.100 20 30 EGEDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1CC1(C#N)CCC1 ZINC000450563103 458452024 /nfs/dbraw/zinc/45/20/24/458452024.db2.gz HCCJSMGUIMWPIN-INIZCTEOSA-N 1 2 327.428 3.100 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000373571146 458535734 /nfs/dbraw/zinc/53/57/34/458535734.db2.gz CEXNMXCZADFNEV-MRXNPFEDSA-N 1 2 336.439 3.241 20 30 EGEDLO COc1cc[nH+]c(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1OC ZINC000373710169 458580008 /nfs/dbraw/zinc/58/00/08/458580008.db2.gz CZMZVUYSMIATIJ-SJLPKXTDSA-N 1 2 337.423 3.371 20 30 EGEDLO COc1ccnc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1OC ZINC000373710169 458580015 /nfs/dbraw/zinc/58/00/15/458580015.db2.gz CZMZVUYSMIATIJ-SJLPKXTDSA-N 1 2 337.423 3.371 20 30 EGEDLO COc1ccnc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1OC ZINC000373710169 458580021 /nfs/dbraw/zinc/58/00/21/458580021.db2.gz CZMZVUYSMIATIJ-SJLPKXTDSA-N 1 2 337.423 3.371 20 30 EGEDLO C=CCc1ccccc1OC[C@H](O)Cn1cc[nH+]c1-c1ccncc1 ZINC000438820798 458616548 /nfs/dbraw/zinc/61/65/48/458616548.db2.gz QZTSSORSSIBQRZ-GOSISDBHSA-N 1 2 335.407 3.114 20 30 EGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000494413079 458671904 /nfs/dbraw/zinc/67/19/04/458671904.db2.gz CVZATPYCHPOMJO-KRWDZBQOSA-N 1 2 338.480 3.403 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2[C@@H](C)CO ZINC000456693925 458754204 /nfs/dbraw/zinc/75/42/04/458754204.db2.gz BITKIHUKPDOWLT-ORAYPTAESA-N 1 2 345.443 3.065 20 30 EGEDLO CCN1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000530375143 458757004 /nfs/dbraw/zinc/75/70/04/458757004.db2.gz RCAMXZCESWWABY-HNNXBMFYSA-N 1 2 349.360 3.183 20 30 EGEDLO C[C@@H](NC(=O)C[NH+]1CCC(F)(C#N)CC1)c1cccc2ccccc21 ZINC000510901865 458776112 /nfs/dbraw/zinc/77/61/12/458776112.db2.gz IYDQPDUAGQVHKY-OAHLLOKOSA-N 1 2 339.414 3.345 20 30 EGEDLO C[C@H](NC(=O)C[NH+]1CCC(F)(C#N)CC1)c1ccc2c(c1)CCCC2 ZINC000510874060 458776122 /nfs/dbraw/zinc/77/61/22/458776122.db2.gz XKIFRSRXVUDZFD-HNNXBMFYSA-N 1 2 343.446 3.070 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)NCCC1=CCCCC1)Cc1ccc(CO)o1 ZINC000512411356 458784384 /nfs/dbraw/zinc/78/43/84/458784384.db2.gz YFSBVMXKLRFZRE-UHFFFAOYSA-N 1 2 346.471 3.157 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)NCCC1=CCCCC1)Cc1ccc(CO)o1 ZINC000512411356 458784389 /nfs/dbraw/zinc/78/43/89/458784389.db2.gz YFSBVMXKLRFZRE-UHFFFAOYSA-N 1 2 346.471 3.157 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)Nc1ccc(C)cc1C)Cc1ccc(CO)o1 ZINC000512226567 458784574 /nfs/dbraw/zinc/78/45/74/458784574.db2.gz JKSVAQKUFHAVEB-UHFFFAOYSA-N 1 2 342.439 3.406 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccc(C)cc1C)Cc1ccc(CO)o1 ZINC000512226567 458784582 /nfs/dbraw/zinc/78/45/82/458784582.db2.gz JKSVAQKUFHAVEB-UHFFFAOYSA-N 1 2 342.439 3.406 20 30 EGEDLO C=CC[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1ccccc1F ZINC000513879982 458795413 /nfs/dbraw/zinc/79/54/13/458795413.db2.gz ORPNGAKYHAXVFJ-UHFFFAOYSA-N 1 2 338.382 3.110 20 30 EGEDLO C=CC[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1ccccc1F ZINC000513879982 458795418 /nfs/dbraw/zinc/79/54/18/458795418.db2.gz ORPNGAKYHAXVFJ-UHFFFAOYSA-N 1 2 338.382 3.110 20 30 EGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000440718696 458846089 /nfs/dbraw/zinc/84/60/89/458846089.db2.gz SHABTNLLJJCDPD-UONOGXRCSA-N 1 2 340.452 3.336 20 30 EGEDLO N#CC1(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CCC1 ZINC000518500744 458872869 /nfs/dbraw/zinc/87/28/69/458872869.db2.gz YDDIXXOHXHDQCB-ROUUACIJSA-N 1 2 349.438 3.105 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000467749093 458983990 /nfs/dbraw/zinc/98/39/90/458983990.db2.gz YPDKOIDDFDPKOV-FQEVSTJZSA-N 1 2 342.483 3.253 20 30 EGEDLO CCc1nc(C(C)C)ccc1C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000590168784 459096635 /nfs/dbraw/zinc/09/66/35/459096635.db2.gz FGCIKYOKRYPLMD-HXUWFJFHSA-N 1 2 328.504 3.433 20 30 EGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000532573305 459112573 /nfs/dbraw/zinc/11/25/73/459112573.db2.gz YELKJWIHEYQERU-UTUOFQBUSA-N 1 2 349.525 3.261 20 30 EGEDLO N#CC1CN(C(=O)c2ccc(SCc3cn4ccccc4[nH+]3)cc2)C1 ZINC000590487154 459138062 /nfs/dbraw/zinc/13/80/62/459138062.db2.gz HYIVQOAYKFHOSG-UHFFFAOYSA-N 1 2 348.431 3.222 20 30 EGEDLO Cc1cccn2cc(CC(=O)N[C@](C)(C#N)CCc3ccccc3)[nH+]c12 ZINC000533368422 459226835 /nfs/dbraw/zinc/22/68/35/459226835.db2.gz VKKXMWKQHWUFAQ-NRFANRHFSA-N 1 2 346.434 3.217 20 30 EGEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)C1 ZINC000568198852 459247693 /nfs/dbraw/zinc/24/76/93/459247693.db2.gz KEZDPPYZDDYRMU-LALPHHSUSA-N 1 2 342.365 3.045 20 30 EGEDLO N#CCCCn1cc(C(=O)NCCCCn2cc[nH+]c2)c2ccccc21 ZINC000579785153 459251635 /nfs/dbraw/zinc/25/16/35/459251635.db2.gz PUEUORJYFKPGHG-UHFFFAOYSA-N 1 2 349.438 3.352 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000481763621 459272952 /nfs/dbraw/zinc/27/29/52/459272952.db2.gz FHSAYSJNZQLFPD-LJQANCHMSA-N 1 2 345.874 3.484 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000481763621 459272958 /nfs/dbraw/zinc/27/29/58/459272958.db2.gz FHSAYSJNZQLFPD-LJQANCHMSA-N 1 2 345.874 3.484 20 30 EGEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000591020187 459294862 /nfs/dbraw/zinc/29/48/62/459294862.db2.gz QNSCMUYDQNTCKL-SFHVURJKSA-N 1 2 342.418 3.146 20 30 EGEDLO C=CCOC[C@H]([NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)cc1)C(=O)OC ZINC000482432901 459307605 /nfs/dbraw/zinc/30/76/05/459307605.db2.gz CGDTVDZPOGUVNT-BBWFWOEESA-N 1 2 337.847 3.310 20 30 EGEDLO C=CCCSCCNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000595454482 459308756 /nfs/dbraw/zinc/30/87/56/459308756.db2.gz HZKCEQHDGKITJN-UHFFFAOYSA-N 1 2 348.516 3.180 20 30 EGEDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)s1 ZINC000591241382 459339438 /nfs/dbraw/zinc/33/94/38/459339438.db2.gz XEMBOZNKMDMJDC-SECBINFHSA-N 1 2 335.816 3.306 20 30 EGEDLO Fc1ccc(N2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)nc1 ZINC000537118717 459363499 /nfs/dbraw/zinc/36/34/99/459363499.db2.gz ZRXDSZJSCXISAW-UHFFFAOYSA-N 1 2 329.806 3.048 20 30 EGEDLO C=C(C)COc1cc(C[N@H+](C)[C@@H](C)C(=O)OC(C)C)ccc1OC ZINC000537621457 459365825 /nfs/dbraw/zinc/36/58/25/459365825.db2.gz QLANMDQSKSFXMQ-HNNXBMFYSA-N 1 2 335.444 3.422 20 30 EGEDLO C=C(C)COc1cc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)C)ccc1OC ZINC000537621457 459365832 /nfs/dbraw/zinc/36/58/32/459365832.db2.gz QLANMDQSKSFXMQ-HNNXBMFYSA-N 1 2 335.444 3.422 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595612623 459366307 /nfs/dbraw/zinc/36/63/07/459366307.db2.gz YTPNVNOVNKNPFP-CHWSQXEVSA-N 1 2 337.370 3.241 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595612623 459366314 /nfs/dbraw/zinc/36/63/14/459366314.db2.gz YTPNVNOVNKNPFP-CHWSQXEVSA-N 1 2 337.370 3.241 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000595611972 459367382 /nfs/dbraw/zinc/36/73/82/459367382.db2.gz QTWUYRXYLPRZNQ-LBPRGKRZSA-N 1 2 325.334 3.270 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000595611972 459367386 /nfs/dbraw/zinc/36/73/86/459367386.db2.gz QTWUYRXYLPRZNQ-LBPRGKRZSA-N 1 2 325.334 3.270 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nc3sc4c(c3c(N)n2)CCCC4)C1 ZINC000595617495 459369567 /nfs/dbraw/zinc/36/95/67/459369567.db2.gz WNZAKCLGXZOFAX-LBPRGKRZSA-N 1 2 341.484 3.278 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](Cc2nc3sc4c(c3c(N)n2)CCCC4)C1 ZINC000595617495 459369574 /nfs/dbraw/zinc/36/95/74/459369574.db2.gz WNZAKCLGXZOFAX-LBPRGKRZSA-N 1 2 341.484 3.278 20 30 EGEDLO Cn1c(C[N@@H+]2CCC[C@H](CC#N)C2)nc2ccc(Br)cc21 ZINC000595623134 459373179 /nfs/dbraw/zinc/37/31/79/459373179.db2.gz IRXTZBKRCDOPAP-GFCCVEGCSA-N 1 2 347.260 3.461 20 30 EGEDLO Cn1c(C[N@H+]2CCC[C@H](CC#N)C2)nc2ccc(Br)cc21 ZINC000595623134 459373183 /nfs/dbraw/zinc/37/31/83/459373183.db2.gz IRXTZBKRCDOPAP-GFCCVEGCSA-N 1 2 347.260 3.461 20 30 EGEDLO N#Cc1sccc1N1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000595631864 459376716 /nfs/dbraw/zinc/37/67/16/459376716.db2.gz KQUVIDNRBVNWHR-UHFFFAOYSA-N 1 2 347.447 3.066 20 30 EGEDLO C=CCCC[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000540489125 459382309 /nfs/dbraw/zinc/38/23/09/459382309.db2.gz PFVHNRYTYPKMBA-KRWDZBQOSA-N 1 2 340.471 3.130 20 30 EGEDLO N#CCC1CC[NH+](Cc2cnc3ccc(Br)cn23)CC1 ZINC000540995365 459416893 /nfs/dbraw/zinc/41/68/93/459416893.db2.gz MPEPFUVWMWNNJE-UHFFFAOYSA-N 1 2 333.233 3.222 20 30 EGEDLO COc1cc(Cl)c(C)cc1NC(=O)C[NH+]1CCC(CC#N)CC1 ZINC000541024361 459419477 /nfs/dbraw/zinc/41/94/77/459419477.db2.gz WTRXTEHGFHRVRA-UHFFFAOYSA-N 1 2 335.835 3.221 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)cn1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000595750498 459423882 /nfs/dbraw/zinc/42/38/82/459423882.db2.gz SWNJRSSDVXKYBB-OAHLLOKOSA-N 1 2 336.222 3.425 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)cn1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000595750498 459423885 /nfs/dbraw/zinc/42/38/85/459423885.db2.gz SWNJRSSDVXKYBB-OAHLLOKOSA-N 1 2 336.222 3.425 20 30 EGEDLO C[C@H](c1cc(F)ccc1F)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000582838603 459436127 /nfs/dbraw/zinc/43/61/27/459436127.db2.gz QHZSECOGZAXGKA-CYBMUJFWSA-N 1 2 328.366 3.115 20 30 EGEDLO Cc1cc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000497131362 459453480 /nfs/dbraw/zinc/45/34/80/459453480.db2.gz OEPLUKOFXDDITP-HNNXBMFYSA-N 1 2 344.459 3.345 20 30 EGEDLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2Cc2ccc(C#N)o2)C1 ZINC000497144170 459458302 /nfs/dbraw/zinc/45/83/02/459458302.db2.gz IVFJGPURDFIIGU-GOSISDBHSA-N 1 2 331.416 3.127 20 30 EGEDLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2Cc2ccc(C#N)o2)C1 ZINC000497144170 459458309 /nfs/dbraw/zinc/45/83/09/459458309.db2.gz IVFJGPURDFIIGU-GOSISDBHSA-N 1 2 331.416 3.127 20 30 EGEDLO COc1ccc2ncc(C#N)c(NCCCc3[nH+]cccc3C)c2c1 ZINC000591946947 459493942 /nfs/dbraw/zinc/49/39/42/459493942.db2.gz UZLGEVSKUAFMRD-UHFFFAOYSA-N 1 2 332.407 3.285 20 30 EGEDLO N#Cc1nc(N2CC[NH+](Cc3cccc(F)c3)CC2)sc1Cl ZINC000596167887 459546144 /nfs/dbraw/zinc/54/61/44/459546144.db2.gz HPDSEPQJFXKORK-UHFFFAOYSA-N 1 2 336.823 3.129 20 30 EGEDLO C=CCn1cccc1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000488576201 459547432 /nfs/dbraw/zinc/54/74/32/459547432.db2.gz VJZAHYCKGPMBEQ-UHFFFAOYSA-N 1 2 343.858 3.286 20 30 EGEDLO C=C[C@H]1CCCC[N@H+]1Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000489404840 459563112 /nfs/dbraw/zinc/56/31/12/459563112.db2.gz PRIFQCNBMUVAFS-HNNXBMFYSA-N 1 2 344.484 3.061 20 30 EGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000489404840 459563120 /nfs/dbraw/zinc/56/31/20/459563120.db2.gz PRIFQCNBMUVAFS-HNNXBMFYSA-N 1 2 344.484 3.061 20 30 EGEDLO Cc1cc(NC[C@H]2CCN(c3ccccc3Cl)C2)c(C#N)c[nH+]1 ZINC000596316627 459594573 /nfs/dbraw/zinc/59/45/73/459594573.db2.gz NTLOSGSLXBILRQ-CQSZACIVSA-N 1 2 326.831 3.275 20 30 EGEDLO C#CCn1ccc(CN(CCOC)c2[nH+]c3ccccc3cc2C)n1 ZINC000491359808 459620279 /nfs/dbraw/zinc/62/02/79/459620279.db2.gz BCBZEZUCOVSJLU-UHFFFAOYSA-N 1 2 334.423 3.026 20 30 EGEDLO C#CCN(C)C(=O)c1ccccc1SCc1cn2ccccc2[nH+]1 ZINC000491406480 459624360 /nfs/dbraw/zinc/62/43/60/459624360.db2.gz NZJHXBMGIRAHLW-UHFFFAOYSA-N 1 2 335.432 3.332 20 30 EGEDLO COc1ccc(C#N)cc1NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000491503485 459632065 /nfs/dbraw/zinc/63/20/65/459632065.db2.gz CULFOYCFAOMTDU-WEVVVXLNSA-N 1 2 344.374 3.404 20 30 EGEDLO C#C[C@@H](CCC)NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000491703224 459657199 /nfs/dbraw/zinc/65/71/99/459657199.db2.gz SERXRQGFUCWWPS-SFHVURJKSA-N 1 2 342.487 3.131 20 30 EGEDLO Cc1cc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)ccn1 ZINC000527538744 459658107 /nfs/dbraw/zinc/65/81/07/459658107.db2.gz IPRCDHGJSDBKTK-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2nc3ccccc3c(C)c2Cl)C1=O ZINC000499956949 459659601 /nfs/dbraw/zinc/65/96/01/459659601.db2.gz RYVUXYZHUDBWML-KRWDZBQOSA-N 1 2 343.858 3.415 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2nc3ccccc3c(C)c2Cl)C1=O ZINC000499956949 459659603 /nfs/dbraw/zinc/65/96/03/459659603.db2.gz RYVUXYZHUDBWML-KRWDZBQOSA-N 1 2 343.858 3.415 20 30 EGEDLO C#C[C@H](NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1ccc(F)cc1 ZINC000491818435 459679648 /nfs/dbraw/zinc/67/96/48/459679648.db2.gz YUOIXZQBSQKBQZ-ZBFHGGJFSA-N 1 2 339.414 3.268 20 30 EGEDLO C#C[C@H](NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1ccc(F)cc1 ZINC000491818435 459679654 /nfs/dbraw/zinc/67/96/54/459679654.db2.gz YUOIXZQBSQKBQZ-ZBFHGGJFSA-N 1 2 339.414 3.268 20 30 EGEDLO CN(C(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1)C1(C#N)CCCCC1 ZINC000596595218 459689751 /nfs/dbraw/zinc/68/97/51/459689751.db2.gz YRLGDQJPIYAIQJ-SFHVURJKSA-N 1 2 340.471 3.149 20 30 EGEDLO CN(C(=O)C[N@H+]1CC(C)(C)[C@@H]1c1ccncc1)C1(C#N)CCCCC1 ZINC000596595218 459689752 /nfs/dbraw/zinc/68/97/52/459689752.db2.gz YRLGDQJPIYAIQJ-SFHVURJKSA-N 1 2 340.471 3.149 20 30 EGEDLO Cc1c2ccc3ccccc3c2oc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000564661471 459775147 /nfs/dbraw/zinc/77/51/47/459775147.db2.gz UIAMWVFFQXHQLD-FQEVSTJZSA-N 1 2 335.407 3.468 20 30 EGEDLO CCOC(=O)C(C)(C)[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000574178633 459788631 /nfs/dbraw/zinc/78/86/31/459788631.db2.gz MNGKWXDJDPETEO-UHFFFAOYSA-N 1 2 343.345 3.210 20 30 EGEDLO CCOC(=O)C(C)(C)[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000574178633 459788635 /nfs/dbraw/zinc/78/86/35/459788635.db2.gz MNGKWXDJDPETEO-UHFFFAOYSA-N 1 2 343.345 3.210 20 30 EGEDLO N#CC1(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CCC1 ZINC000529498413 459830178 /nfs/dbraw/zinc/83/01/78/459830178.db2.gz WKODQJOZASJXFJ-INIZCTEOSA-N 1 2 331.847 3.114 20 30 EGEDLO N#CC1(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CCC1 ZINC000529498413 459830183 /nfs/dbraw/zinc/83/01/83/459830183.db2.gz WKODQJOZASJXFJ-INIZCTEOSA-N 1 2 331.847 3.114 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](COCC)C2)cc1Cl ZINC000529667425 459833302 /nfs/dbraw/zinc/83/33/02/459833302.db2.gz VQYAMACLFQCHHJ-OAHLLOKOSA-N 1 2 325.836 3.142 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H](COCC)C2)cc1Cl ZINC000529667425 459833306 /nfs/dbraw/zinc/83/33/06/459833306.db2.gz VQYAMACLFQCHHJ-OAHLLOKOSA-N 1 2 325.836 3.142 20 30 EGEDLO N#Cc1sccc1N1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000597184706 459867506 /nfs/dbraw/zinc/86/75/06/459867506.db2.gz ZMAJCTFQRIUEHC-UHFFFAOYSA-N 1 2 330.482 3.276 20 30 EGEDLO Cc1cccn2cc(CCNC(=O)c3cc(C#N)ccc3Cl)[nH+]c12 ZINC000586792289 459874787 /nfs/dbraw/zinc/87/47/87/459874787.db2.gz DGYIMGWMZHYOJD-UHFFFAOYSA-N 1 2 338.798 3.140 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC000574815068 459877747 /nfs/dbraw/zinc/87/77/47/459877747.db2.gz QEIBHWLLWBDCCW-GOSISDBHSA-N 1 2 335.879 3.259 20 30 EGEDLO N#Cc1nccnc1Nc1ccc(N2CCc3sccc3C2)[nH+]c1 ZINC000608830511 459888831 /nfs/dbraw/zinc/88/88/31/459888831.db2.gz PWGWTYOTJFCABL-UHFFFAOYSA-N 1 2 334.408 3.111 20 30 EGEDLO COc1ccc(Br)cc1C[N@H+](C)Cc1cccc(C#N)n1 ZINC000602433250 459934757 /nfs/dbraw/zinc/93/47/57/459934757.db2.gz MQDJZXDSDOOWML-UHFFFAOYSA-N 1 2 346.228 3.356 20 30 EGEDLO COc1ccc(Br)cc1C[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602433250 459934764 /nfs/dbraw/zinc/93/47/64/459934764.db2.gz MQDJZXDSDOOWML-UHFFFAOYSA-N 1 2 346.228 3.356 20 30 EGEDLO CC[C@@H](CC#N)[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000575134741 459935497 /nfs/dbraw/zinc/93/54/97/459935497.db2.gz HOAQNBKGQAHEEY-WCQYABFASA-N 1 2 326.227 3.381 20 30 EGEDLO C[C@H](CCC#N)C[N@@H+]1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000602482149 459959299 /nfs/dbraw/zinc/95/92/99/459959299.db2.gz MWGXFFTUMTYGAP-DOMZBBRYSA-N 1 2 339.361 3.118 20 30 EGEDLO C[C@H](CCC#N)C[N@H+]1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000602482149 459959305 /nfs/dbraw/zinc/95/93/05/459959305.db2.gz MWGXFFTUMTYGAP-DOMZBBRYSA-N 1 2 339.361 3.118 20 30 EGEDLO N#Cc1ccc(C[N@H+](Cc2cnnn2-c2ccccc2)C2CC2)cc1 ZINC000588956766 460010652 /nfs/dbraw/zinc/01/06/52/460010652.db2.gz UQJVXEWJGTVEBG-UHFFFAOYSA-N 1 2 329.407 3.304 20 30 EGEDLO N#Cc1ccc(C[N@@H+](Cc2cnnn2-c2ccccc2)C2CC2)cc1 ZINC000588956766 460010656 /nfs/dbraw/zinc/01/06/56/460010656.db2.gz UQJVXEWJGTVEBG-UHFFFAOYSA-N 1 2 329.407 3.304 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000609800785 460021909 /nfs/dbraw/zinc/02/19/09/460021909.db2.gz SZHBCRPFESSIIV-AYBZRNKSSA-N 1 2 345.512 3.219 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000609800785 460021916 /nfs/dbraw/zinc/02/19/16/460021916.db2.gz SZHBCRPFESSIIV-AYBZRNKSSA-N 1 2 345.512 3.219 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000609800787 460022094 /nfs/dbraw/zinc/02/20/94/460022094.db2.gz SZHBCRPFESSIIV-SUMDDJOVSA-N 1 2 345.512 3.219 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000609800787 460022099 /nfs/dbraw/zinc/02/20/99/460022099.db2.gz SZHBCRPFESSIIV-SUMDDJOVSA-N 1 2 345.512 3.219 20 30 EGEDLO N#Cc1cc(O)cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC000589174243 460045338 /nfs/dbraw/zinc/04/53/38/460045338.db2.gz PFICAOJHEPQXLM-UHFFFAOYSA-N 1 2 338.754 3.355 20 30 EGEDLO Cc1cc(C[NH+]2CCN(c3c(C#N)cnc4c(C)cccc43)CC2)no1 ZINC000610211363 460083610 /nfs/dbraw/zinc/08/36/10/460083610.db2.gz QPIQVJMOKLUUOO-UHFFFAOYSA-N 1 2 347.422 3.034 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000576231013 460098210 /nfs/dbraw/zinc/09/82/10/460098210.db2.gz WMCJLQYCUGZDNV-YCPHGPKFSA-N 1 2 340.254 3.057 20 30 EGEDLO CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)Cc1c(F)cccc1C#N ZINC000589532150 460100621 /nfs/dbraw/zinc/10/06/21/460100621.db2.gz LQXOUHATOGQUPT-KRWDZBQOSA-N 1 2 340.402 3.210 20 30 EGEDLO Cc1ccc2[nH+]c(CNc3c(C#N)cnc4c(C)cccc43)cn2c1 ZINC000610273674 460101371 /nfs/dbraw/zinc/10/13/71/460101371.db2.gz LNDSVTJLXOAYGW-UHFFFAOYSA-N 1 2 327.391 3.405 20 30 EGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1nc2c(cc1C#N)CCC2 ZINC000610281969 460107876 /nfs/dbraw/zinc/10/78/76/460107876.db2.gz PHKSZFAEDZJYMU-UHFFFAOYSA-N 1 2 343.434 3.323 20 30 EGEDLO C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1cccc(C#N)c1 ZINC000610363917 460135008 /nfs/dbraw/zinc/13/50/08/460135008.db2.gz IYAMCCLSKZGXOG-OAHLLOKOSA-N 1 2 330.391 3.294 20 30 EGEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000594222069 460158198 /nfs/dbraw/zinc/15/81/98/460158198.db2.gz CDLXNOBBVDMORZ-INIZCTEOSA-N 1 2 348.450 3.048 20 30 EGEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000602868204 460165632 /nfs/dbraw/zinc/16/56/32/460165632.db2.gz HVGYLNJEZHFJDN-IFXJQAMLSA-N 1 2 339.464 3.114 20 30 EGEDLO CO[C@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC000602898922 460175938 /nfs/dbraw/zinc/17/59/38/460175938.db2.gz NKSDCSJERWOXJY-HXUWFJFHSA-N 1 2 336.435 3.191 20 30 EGEDLO CO[C@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC000602898922 460175944 /nfs/dbraw/zinc/17/59/44/460175944.db2.gz NKSDCSJERWOXJY-HXUWFJFHSA-N 1 2 336.435 3.191 20 30 EGEDLO COc1ccc(-c2noc(C[NH2+][C@H](C)c3cccc(C#N)c3)n2)cc1 ZINC000611387699 460351609 /nfs/dbraw/zinc/35/16/09/460351609.db2.gz FGKWAROZQJFFAW-CYBMUJFWSA-N 1 2 334.379 3.468 20 30 EGEDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC000611428929 460363122 /nfs/dbraw/zinc/36/31/22/460363122.db2.gz DYHTYBHQPLURCI-AWEZNQCLSA-N 1 2 326.469 3.279 20 30 EGEDLO C=C[C@H]([NH2+][C@@H](C)CCc1ccc(Br)cc1)C(=O)OC ZINC000619700727 460418444 /nfs/dbraw/zinc/41/84/44/460418444.db2.gz JIEYQJRDFDRUSZ-FZMZJTMJSA-N 1 2 326.234 3.087 20 30 EGEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000619719113 460422785 /nfs/dbraw/zinc/42/27/85/460422785.db2.gz WHPNGNIZQGFHCN-AWEZNQCLSA-N 1 2 334.803 3.388 20 30 EGEDLO CCN(C(C)=O)c1nc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)cs1 ZINC000619748284 460429624 /nfs/dbraw/zinc/42/96/24/460429624.db2.gz GKTHOGWCDOZBER-UHFFFAOYSA-N 1 2 348.859 3.331 20 30 EGEDLO C=CCC[NH+]1CCN(S(=O)(=O)c2ccc([C@@H](C)CC)cc2)CC1 ZINC000606896339 460755877 /nfs/dbraw/zinc/75/58/77/460755877.db2.gz IQPLETZUOVZFPG-INIZCTEOSA-N 1 2 336.501 3.083 20 30 EGEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC000653756512 461843948 /nfs/dbraw/zinc/84/39/48/461843948.db2.gz ATAWQDVKXJYJEZ-DGCLKSJQSA-N 1 2 327.384 3.244 20 30 EGEDLO COCC#CC[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000644713786 462048046 /nfs/dbraw/zinc/04/80/46/462048046.db2.gz KHTZUCZXFRLHFK-CZUORRHYSA-N 1 2 327.346 3.117 20 30 EGEDLO COCC#CC[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000644713786 462048049 /nfs/dbraw/zinc/04/80/49/462048049.db2.gz KHTZUCZXFRLHFK-CZUORRHYSA-N 1 2 327.346 3.117 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000644788672 462077740 /nfs/dbraw/zinc/07/77/40/462077740.db2.gz IWGPPMUFSNHWKR-UHFFFAOYSA-N 1 2 330.472 3.250 20 30 EGEDLO C=CC[C@@H]1CCC[N@@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000661380678 462225086 /nfs/dbraw/zinc/22/50/86/462225086.db2.gz IKSZMDPJQXGHGK-IUODEOHRSA-N 1 2 337.261 3.264 20 30 EGEDLO C=CC[C@@H]1CCC[N@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000661380678 462225088 /nfs/dbraw/zinc/22/50/88/462225088.db2.gz IKSZMDPJQXGHGK-IUODEOHRSA-N 1 2 337.261 3.264 20 30 EGEDLO C=C(Cl)CNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000265476069 534445625 /nfs/dbraw/zinc/44/56/25/534445625.db2.gz NDDGKJUIGUFUIC-SNVBAGLBSA-N 1 2 328.869 3.249 20 30 EGEDLO C=C(Cl)CNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000265476069 534445628 /nfs/dbraw/zinc/44/56/28/534445628.db2.gz NDDGKJUIGUFUIC-SNVBAGLBSA-N 1 2 328.869 3.249 20 30 EGEDLO CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1cc(C#N)n(C)c1 ZINC000191430621 529180987 /nfs/dbraw/zinc/18/09/87/529180987.db2.gz UWCIETIDMTZSFS-GOSISDBHSA-N 1 2 325.412 3.023 20 30 EGEDLO CC[C@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1cc(C#N)n(C)c1 ZINC000191430621 529180989 /nfs/dbraw/zinc/18/09/89/529180989.db2.gz UWCIETIDMTZSFS-GOSISDBHSA-N 1 2 325.412 3.023 20 30 EGEDLO COc1ccc2c(c1)OCC[N@@H+](CC(=O)N[C@@H]1CCCC[C@@H]1C)C2 ZINC000328701016 547483839 /nfs/dbraw/zinc/48/38/39/547483839.db2.gz NBCRHSPRBGXHOH-WMLDXEAASA-N 1 2 332.444 3.425 20 30 EGEDLO COc1ccc2c(c1)OCC[N@H+](CC(=O)N[C@@H]1CCCC[C@@H]1C)C2 ZINC000328701016 547483845 /nfs/dbraw/zinc/48/38/45/547483845.db2.gz NBCRHSPRBGXHOH-WMLDXEAASA-N 1 2 332.444 3.425 20 30 EGEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C1 ZINC000329056258 547489647 /nfs/dbraw/zinc/48/96/47/547489647.db2.gz XVHXEYQPZUEBHH-ZFHGCVPZSA-N 1 2 344.459 3.007 20 30 EGEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)N(c1nccs1)C1CCCCC1 ZINC000333628555 547539246 /nfs/dbraw/zinc/53/92/46/547539246.db2.gz QRRJKYFOTJIAKB-DZKIICNBSA-N 1 2 346.500 3.479 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)Nc1cccc(CC)c1)Cc1ccc(CO)o1 ZINC000512200219 548013997 /nfs/dbraw/zinc/01/39/97/548013997.db2.gz WVAUUNHLLIJYEH-UHFFFAOYSA-N 1 2 342.439 3.351 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)Nc1cccc(CC)c1)Cc1ccc(CO)o1 ZINC000512200219 548014003 /nfs/dbraw/zinc/01/40/03/548014003.db2.gz WVAUUNHLLIJYEH-UHFFFAOYSA-N 1 2 342.439 3.351 20 30 EGEDLO COCC#CC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000677479573 549278177 /nfs/dbraw/zinc/27/81/77/549278177.db2.gz PUZJEIMFJPSVIG-OAHLLOKOSA-N 1 2 341.238 3.046 20 30 EGEDLO COCC#CC[N@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000677479573 549278179 /nfs/dbraw/zinc/27/81/79/549278179.db2.gz PUZJEIMFJPSVIG-OAHLLOKOSA-N 1 2 341.238 3.046 20 30 EGEDLO C=CCOc1ccccc1C[NH+]1CCN(C(=O)CC(C)(C)C)CC1 ZINC000678138013 549407132 /nfs/dbraw/zinc/40/71/32/549407132.db2.gz YYLHPSUGKDXBSC-UHFFFAOYSA-N 1 2 330.472 3.332 20 30 EGEDLO C#Cc1cccc(NC(=S)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000726477710 574557983 /nfs/dbraw/zinc/55/79/83/574557983.db2.gz ZJTAKDSFUCMWNX-UHFFFAOYSA-N 1 2 332.432 3.340 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000730282125 574965577 /nfs/dbraw/zinc/96/55/77/574965577.db2.gz GFJWSWBZZRRQKJ-ZDUSSCGKSA-N 1 2 327.211 3.038 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000730282125 574965578 /nfs/dbraw/zinc/96/55/78/574965578.db2.gz GFJWSWBZZRRQKJ-ZDUSSCGKSA-N 1 2 327.211 3.038 20 30 EGEDLO Brc1ccc(C=NNc2cc[nH+]c3ccccc23)nc1 ZINC000733746960 575387849 /nfs/dbraw/zinc/38/78/49/575387849.db2.gz BWNVIFRNIRRZNQ-UHFFFAOYSA-N 1 2 327.185 3.260 20 30 EGEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)NCc2ccc(C#N)cc2)c1 ZINC000736973934 576068376 /nfs/dbraw/zinc/06/83/76/576068376.db2.gz UBGRBACWYCKPLI-UHFFFAOYSA-N 1 2 331.379 3.280 20 30 EGEDLO Fc1cc(C=[NH+]Nc2ccc(Cl)nc2)ccc1N1CCOCC1 ZINC000743450317 576809401 /nfs/dbraw/zinc/80/94/01/576809401.db2.gz IEONRYFLISDFGI-UHFFFAOYSA-N 1 2 334.782 3.157 20 30 EGEDLO C#CC[NH+]1CCN(C(=O)c2cc(C)n(C3CCCCC3)c2C)CC1 ZINC000744422965 576827879 /nfs/dbraw/zinc/82/78/79/576827879.db2.gz MCPQUBBQDHKJQZ-UHFFFAOYSA-N 1 2 327.472 3.001 20 30 EGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C#Cc3ccccc3)n2)C1 ZINC000081583847 1292664847 /nfs/dbraw/zinc/66/48/47/1292664847.db2.gz FSEZDMVVNLLSIQ-HNNXBMFYSA-N 1 2 339.464 3.365 20 30 EGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C#Cc3ccccc3)n2)C1 ZINC000081583847 1292664859 /nfs/dbraw/zinc/66/48/59/1292664859.db2.gz FSEZDMVVNLLSIQ-HNNXBMFYSA-N 1 2 339.464 3.365 20 30 EGEDLO CCOC(=O)c1ccc(N[NH+]=C2CCCc3nc(N)ccc32)cc1C ZINC000834979750 1293182858 /nfs/dbraw/zinc/18/28/58/1293182858.db2.gz QUKFBGGJUSYRHI-UHFFFAOYSA-N 1 2 338.411 3.301 20 30 EGEDLO C[C@@H](O[NH+]=C(N)Cc1ccccc1)c1nc(Cc2ccccc2)no1 ZINC000157101270 1294169245 /nfs/dbraw/zinc/16/92/45/1294169245.db2.gz KACKRKSWKVUORI-CQSZACIVSA-N 1 2 336.395 3.253 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+]2CC[C@H](C)[C@H]2C)c1=S ZINC000174962047 1294534294 /nfs/dbraw/zinc/53/42/94/1294534294.db2.gz MSXTZBUUCGIPNH-UONOGXRCSA-N 1 2 329.473 3.350 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2CC[C@H](C)[C@H]2C)c1=S ZINC000174962047 1294534302 /nfs/dbraw/zinc/53/43/02/1294534302.db2.gz MSXTZBUUCGIPNH-UONOGXRCSA-N 1 2 329.473 3.350 20 30 EGEDLO C#CCCC[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000229826485 1296159732 /nfs/dbraw/zinc/15/97/32/1296159732.db2.gz PPDNIWXSICLLRI-UHFFFAOYSA-N 1 2 347.050 3.420 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])c1 ZINC000255475499 1296536459 /nfs/dbraw/zinc/53/64/59/1296536459.db2.gz USLXDMNQDPZMHI-YFHOEESVSA-N 1 2 349.390 3.160 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])c1 ZINC000255475499 1296536465 /nfs/dbraw/zinc/53/64/65/1296536465.db2.gz USLXDMNQDPZMHI-YFHOEESVSA-N 1 2 349.390 3.160 20 30 EGEDLO Cc1cccn2c(/C=C\C(=O)c3ccc(N4CCOC4=O)cc3)c[nH+]c12 ZINC000255578833 1296548937 /nfs/dbraw/zinc/54/89/37/1296548937.db2.gz CEWYSOMZGFIGDD-HJWRWDBZSA-N 1 2 347.374 3.495 20 30 EGEDLO COC[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccc(Br)c1 ZINC000871924079 1296612083 /nfs/dbraw/zinc/61/20/83/1296612083.db2.gz CIVIOUXUDKCLSN-DOMZBBRYSA-N 1 2 336.233 3.170 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC000586065906 1298047753 /nfs/dbraw/zinc/04/77/53/1298047753.db2.gz UQQLPYISIVOADH-LJQANCHMSA-N 1 2 337.398 3.092 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC000586065906 1298047763 /nfs/dbraw/zinc/04/77/63/1298047763.db2.gz UQQLPYISIVOADH-LJQANCHMSA-N 1 2 337.398 3.092 20 30 EGEDLO O=C1c2cc(F)cc([N+](=O)[O-])c2OC/C1=C/c1cccc2[nH+]ccn21 ZINC000588425655 1298064776 /nfs/dbraw/zinc/06/47/76/1298064776.db2.gz IWYKMVCGSAAZPQ-POHAHGRESA-N 1 2 339.282 3.040 20 30 EGEDLO CC(C)Cc1nc(C#N)c(N=NCc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000745613616 1298430462 /nfs/dbraw/zinc/43/04/62/1298430462.db2.gz KEPLJQXNQYGYTI-UHFFFAOYSA-N 1 2 334.383 3.376 20 30 EGEDLO N#Cc1cc(COC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)ccn1 ZINC000747068391 1298720250 /nfs/dbraw/zinc/72/02/50/1298720250.db2.gz HFCYHXHGRLENJM-IBGZPJMESA-N 1 2 335.407 3.051 20 30 EGEDLO N#Cc1cc(COC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)ccn1 ZINC000747068391 1298720256 /nfs/dbraw/zinc/72/02/56/1298720256.db2.gz HFCYHXHGRLENJM-IBGZPJMESA-N 1 2 335.407 3.051 20 30 EGEDLO Cc1nn(C)c2nc(Cl)c(C[N@H+](C)Cc3cccc(C#N)c3)cc12 ZINC000749903028 1299297604 /nfs/dbraw/zinc/29/76/04/1299297604.db2.gz UUQZETDHFSJJAG-UHFFFAOYSA-N 1 2 339.830 3.434 20 30 EGEDLO Cc1nn(C)c2nc(Cl)c(C[N@@H+](C)Cc3cccc(C#N)c3)cc12 ZINC000749903028 1299297617 /nfs/dbraw/zinc/29/76/17/1299297617.db2.gz UUQZETDHFSJJAG-UHFFFAOYSA-N 1 2 339.830 3.434 20 30 EGEDLO COC(=O)C1(C#N)CC[NH+](C/C=C/c2c(C)cc(C)cc2C)CC1 ZINC000877567673 1299404822 /nfs/dbraw/zinc/40/48/22/1299404822.db2.gz ZZSFAUWKMYMHDV-AATRIKPKSA-N 1 2 326.440 3.404 20 30 EGEDLO CC(C)(C)OC(=O)N1CCC(C/[NH+]=C/c2cccc(O)c2O)CC1 ZINC000750949787 1299485143 /nfs/dbraw/zinc/48/51/43/1299485143.db2.gz JFQIMOITZJBEEZ-XDHOZWIPSA-N 1 2 334.416 3.164 20 30 EGEDLO N#Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)nc1Cl ZINC000752997489 1299845031 /nfs/dbraw/zinc/84/50/31/1299845031.db2.gz CKVCLPFVHVXNGU-UHFFFAOYSA-N 1 2 341.733 3.184 20 30 EGEDLO CN(C)c1ncc(C=[NH+]Nc2cccc(Br)c2)s1 ZINC000755625129 1300368520 /nfs/dbraw/zinc/36/85/20/1300368520.db2.gz ONUUJAXQSDIDFN-UHFFFAOYSA-N 1 2 325.235 3.418 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC000879223545 1300435398 /nfs/dbraw/zinc/43/53/98/1300435398.db2.gz TYOQCZKKDWQDFP-DOMZBBRYSA-N 1 2 333.407 3.185 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(C#N)ccc1F ZINC000879223545 1300435402 /nfs/dbraw/zinc/43/54/02/1300435402.db2.gz TYOQCZKKDWQDFP-DOMZBBRYSA-N 1 2 333.407 3.185 20 30 EGEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cc(-c2ccccc2)ns1 ZINC000756549939 1300520126 /nfs/dbraw/zinc/52/01/26/1300520126.db2.gz BHHWGTHSNBJRND-OAHLLOKOSA-N 1 2 326.421 3.065 20 30 EGEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cc(-c2ccccc2)ns1 ZINC000756549939 1300520129 /nfs/dbraw/zinc/52/01/29/1300520129.db2.gz BHHWGTHSNBJRND-OAHLLOKOSA-N 1 2 326.421 3.065 20 30 EGEDLO CC[C@H]1CCC[C@H]1N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000756775056 1300563770 /nfs/dbraw/zinc/56/37/70/1300563770.db2.gz LWOURFVQLWQICC-UONOGXRCSA-N 1 2 338.455 3.225 20 30 EGEDLO C=CC[C@@H](CO)C[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756786088 1300567107 /nfs/dbraw/zinc/56/71/07/1300567107.db2.gz IYWSQUHMZFUSHK-NXEZZACHSA-N 1 2 332.213 3.129 20 30 EGEDLO Cc1ccn(C[N@H+](Cc2ccccc2F)CC(C)C)c(=O)c1C#N ZINC000758210794 1300816006 /nfs/dbraw/zinc/81/60/06/1300816006.db2.gz SANSYJWEXOPTGR-UHFFFAOYSA-N 1 2 327.403 3.283 20 30 EGEDLO Cc1ccn(C[N@@H+](Cc2ccccc2F)CC(C)C)c(=O)c1C#N ZINC000758210794 1300816024 /nfs/dbraw/zinc/81/60/24/1300816024.db2.gz SANSYJWEXOPTGR-UHFFFAOYSA-N 1 2 327.403 3.283 20 30 EGEDLO C#CCOc1cccc(-c2noc(Cc3cn4cccc(C)c4[nH+]3)n2)c1 ZINC000761783372 1301540581 /nfs/dbraw/zinc/54/05/81/1301540581.db2.gz RCTSHXLTUDIUHE-UHFFFAOYSA-N 1 2 344.374 3.296 20 30 EGEDLO Cc1cccn2cc(Cc3noc(Cc4ccccc4CC#N)n3)[nH+]c12 ZINC000761888889 1301560811 /nfs/dbraw/zinc/56/08/11/1301560811.db2.gz RYNGHPHEHVPJHW-UHFFFAOYSA-N 1 2 343.390 3.273 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2cccs2)C[C@@H]1C ZINC000947018169 1332975426 /nfs/dbraw/zinc/97/54/26/1332975426.db2.gz UNAOLYKFAVLTGW-NWDGAFQWSA-N 1 2 343.290 3.239 20 30 EGEDLO CCN(CC)c1ccc(C=[NH+]NC(=S)Nc2ccccn2)cc1 ZINC000767803942 1302766048 /nfs/dbraw/zinc/76/60/48/1302766048.db2.gz KJHGQAJSYKCCBF-UHFFFAOYSA-N 1 2 327.457 3.248 20 30 EGEDLO CC(C)COC(=O)N1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000767891093 1302779592 /nfs/dbraw/zinc/77/95/92/1302779592.db2.gz UATWNCSQFLLZDL-UHFFFAOYSA-N 1 2 343.471 3.398 20 30 EGEDLO CC(C)C[C@@H]1CC(=O)N(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000767986277 1302798114 /nfs/dbraw/zinc/79/81/14/1302798114.db2.gz HYFYLMUPFQMHNQ-GOSISDBHSA-N 1 2 337.467 3.499 20 30 EGEDLO CC(C)C[C@@H]1CC(=O)N(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000767986277 1302798115 /nfs/dbraw/zinc/79/81/15/1302798115.db2.gz HYFYLMUPFQMHNQ-GOSISDBHSA-N 1 2 337.467 3.499 20 30 EGEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000769976162 1303201048 /nfs/dbraw/zinc/20/10/48/1303201048.db2.gz SZPXDYJKECHVMK-AWEZNQCLSA-N 1 2 327.453 3.319 20 30 EGEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000769976162 1303201051 /nfs/dbraw/zinc/20/10/51/1303201051.db2.gz SZPXDYJKECHVMK-AWEZNQCLSA-N 1 2 327.453 3.319 20 30 EGEDLO Cc1ccccc1C1N=NC(=S)N1N=Cc1cccc2[nH+]ccn21 ZINC000771087410 1303358929 /nfs/dbraw/zinc/35/89/29/1303358929.db2.gz FBJMVSCUDUNBKS-UHFFFAOYSA-N 1 2 334.408 3.072 20 30 EGEDLO Cc1ccc(F)c(NC(=S)NN=Cc2cccc3[nH+]ccn32)c1 ZINC000771098956 1303359526 /nfs/dbraw/zinc/35/95/26/1303359526.db2.gz BHUZBYZMYRGYJE-UHFFFAOYSA-N 1 2 327.388 3.102 20 30 EGEDLO CCc1cc(N=NCc2cccc3[nH+]ccn32)nc(-c2ccccn2)n1 ZINC000771101929 1303360617 /nfs/dbraw/zinc/36/06/17/1303360617.db2.gz ZXSSVVVWTDOSIA-UHFFFAOYSA-N 1 2 343.394 3.195 20 30 EGEDLO C[C@H]1C[N@H+](Cc2cccc(C#N)c2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000772328461 1303520106 /nfs/dbraw/zinc/52/01/06/1303520106.db2.gz DRRRQNVUUKMVOP-GJZGRUSLSA-N 1 2 329.444 3.388 20 30 EGEDLO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000772328461 1303520108 /nfs/dbraw/zinc/52/01/08/1303520108.db2.gz DRRRQNVUUKMVOP-GJZGRUSLSA-N 1 2 329.444 3.388 20 30 EGEDLO C#C[C@H]([NH2+]Cc1csc(CCc2ccccc2)n1)[C@@H]1CCCO1 ZINC000775791507 1304038677 /nfs/dbraw/zinc/03/86/77/1304038677.db2.gz VOJDBWMNHJDXCT-ROUUACIJSA-N 1 2 326.465 3.199 20 30 EGEDLO N#C[C@H](NC(=O)c1cccc2[nH+]ccn21)c1cccc(C(F)(F)F)c1 ZINC000777102493 1304251062 /nfs/dbraw/zinc/25/10/62/1304251062.db2.gz MCRQVKSUPMJLRY-ZDUSSCGKSA-N 1 2 344.296 3.348 20 30 EGEDLO N#C[C@@H](NC(=O)c1cccc2[nH+]ccn21)c1cccc(C(F)(F)F)c1 ZINC000777102489 1304251224 /nfs/dbraw/zinc/25/12/24/1304251224.db2.gz MCRQVKSUPMJLRY-CYBMUJFWSA-N 1 2 344.296 3.348 20 30 EGEDLO Brc1cccc(C=NNc2cc[nH+]c3ccccc23)n1 ZINC000777884977 1304359502 /nfs/dbraw/zinc/35/95/02/1304359502.db2.gz ARAQAHOKHSWBIG-UHFFFAOYSA-N 1 2 327.185 3.260 20 30 EGEDLO C=CCC[C@@H](C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000778559035 1304465466 /nfs/dbraw/zinc/46/54/66/1304465466.db2.gz JHKCEQPXKXPMLR-CEXWTWQISA-N 1 2 329.440 3.143 20 30 EGEDLO C=CCC[C@@H](C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000778559035 1304465468 /nfs/dbraw/zinc/46/54/68/1304465468.db2.gz JHKCEQPXKXPMLR-CEXWTWQISA-N 1 2 329.440 3.143 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC000779422498 1304569896 /nfs/dbraw/zinc/56/98/96/1304569896.db2.gz ORDKDMYYWZSGRZ-NGXUEJOTSA-N 1 2 327.428 3.048 20 30 EGEDLO C#CCCCCCC(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000779954033 1304626153 /nfs/dbraw/zinc/62/61/53/1304626153.db2.gz MRXCZDLVURLVOD-UHFFFAOYSA-N 1 2 328.456 3.349 20 30 EGEDLO C#CCC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCCC1 ZINC000788161101 1305885053 /nfs/dbraw/zinc/88/50/53/1305885053.db2.gz DITLGMCKEGLXAK-UHFFFAOYSA-N 1 2 349.478 3.176 20 30 EGEDLO C=CCC[NH+]1CC(N(CC)C(=O)c2ccc(C(F)(F)F)s2)C1 ZINC000957446895 1317369078 /nfs/dbraw/zinc/36/90/78/1317369078.db2.gz GWJISIRTPWBNNH-UHFFFAOYSA-N 1 2 332.391 3.489 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000790931856 1308889985 /nfs/dbraw/zinc/88/99/85/1308889985.db2.gz LTCSVUPYIKTEFA-KHYOSLBOSA-N 1 2 349.858 3.120 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000790931856 1308889996 /nfs/dbraw/zinc/88/99/96/1308889996.db2.gz LTCSVUPYIKTEFA-KHYOSLBOSA-N 1 2 349.858 3.120 20 30 EGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000894664923 1309012331 /nfs/dbraw/zinc/01/23/31/1309012331.db2.gz ITVAJBSYVNIKBB-UHFFFAOYSA-N 1 2 329.350 3.123 20 30 EGEDLO COC(=O)c1cc(NN=Cc2ccc(-n3cc[nH+]c3)cc2)ccc1C ZINC000793097816 1309295602 /nfs/dbraw/zinc/29/56/02/1309295602.db2.gz OKUJRKRAIISTEY-UHFFFAOYSA-N 1 2 334.379 3.413 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1CC[C@@H](CCc2ccccc2)C1=O ZINC000793483062 1309382781 /nfs/dbraw/zinc/38/27/81/1309382781.db2.gz JWRKWGNBZOEZSJ-OAQYLSRUSA-N 1 2 347.462 3.429 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1CC[C@@H](CCc2ccccc2)C1=O ZINC000793483062 1309382786 /nfs/dbraw/zinc/38/27/86/1309382786.db2.gz JWRKWGNBZOEZSJ-OAQYLSRUSA-N 1 2 347.462 3.429 20 30 EGEDLO C[N@H+](CC(F)F)C1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000793578775 1309409444 /nfs/dbraw/zinc/40/94/44/1309409444.db2.gz VOWRJMHVQOMXNQ-MRXNPFEDSA-N 1 2 349.425 3.262 20 30 EGEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000793578775 1309409451 /nfs/dbraw/zinc/40/94/51/1309409451.db2.gz VOWRJMHVQOMXNQ-MRXNPFEDSA-N 1 2 349.425 3.262 20 30 EGEDLO Cc1cc(=O)[nH]c(N=NC2CCC([N@H+](C)Cc3ccccc3)CC2)n1 ZINC000797784616 1310245409 /nfs/dbraw/zinc/24/54/09/1310245409.db2.gz BLAODYMRVHTAGE-UHFFFAOYSA-N 1 2 339.443 3.333 20 30 EGEDLO Cc1cc(=O)[nH]c(N=NC2CCC([N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000797784616 1310245418 /nfs/dbraw/zinc/24/54/18/1310245418.db2.gz BLAODYMRVHTAGE-UHFFFAOYSA-N 1 2 339.443 3.333 20 30 EGEDLO O=C1C=C([NH2+]Nc2ccc(Br)cc2F)[C@@H]2CCCCN12 ZINC000799478435 1310558105 /nfs/dbraw/zinc/55/81/05/1310558105.db2.gz FZHYCDROVDSUKS-ZDUSSCGKSA-N 1 2 340.196 3.141 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnn(C(C)C)c2C2CC2)C1 ZINC000957113254 1317194178 /nfs/dbraw/zinc/19/41/78/1317194178.db2.gz GULNCIPMNLLLAX-UHFFFAOYSA-N 1 2 330.476 3.064 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(Cl)c(CCC)c2)C1 ZINC000957132084 1317203294 /nfs/dbraw/zinc/20/32/94/1317203294.db2.gz KDHXLTXAWVAPJV-UHFFFAOYSA-N 1 2 332.875 3.462 20 30 EGEDLO CC#CC[NH2+]Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)no1 ZINC000901393581 1317416657 /nfs/dbraw/zinc/41/66/57/1317416657.db2.gz PHVSJUVYJJFEMK-UHFFFAOYSA-N 1 2 337.301 3.059 20 30 EGEDLO CCn1c[nH+]cc1/C=C/C(=O)c1ccc(N2CCOCC2)cc1Cl ZINC000901485194 1317434947 /nfs/dbraw/zinc/43/49/47/1317434947.db2.gz FPHNJZXOZXJYAD-GQCTYLIASA-N 1 2 345.830 3.289 20 30 EGEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1C[C@H](c2ccc(F)cc2)CC1=O ZINC000902050120 1317514368 /nfs/dbraw/zinc/51/43/68/1317514368.db2.gz SHJRJPJTSFYMOG-GOSISDBHSA-N 1 2 337.398 3.103 20 30 EGEDLO C[N@H+](Cc1cccc(C#N)c1)CN1C[C@H](c2ccc(F)cc2)CC1=O ZINC000902050120 1317514372 /nfs/dbraw/zinc/51/43/72/1317514372.db2.gz SHJRJPJTSFYMOG-GOSISDBHSA-N 1 2 337.398 3.103 20 30 EGEDLO COc1cn(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c(C)cc1=O ZINC000902089883 1317520097 /nfs/dbraw/zinc/52/00/97/1317520097.db2.gz IUGUBLXYPMTGOW-UHFFFAOYSA-N 1 2 339.439 3.153 20 30 EGEDLO COc1cn(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)c(C)cc1=O ZINC000902089883 1317520101 /nfs/dbraw/zinc/52/01/01/1317520101.db2.gz IUGUBLXYPMTGOW-UHFFFAOYSA-N 1 2 339.439 3.153 20 30 EGEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1cnccc1NC(=O)OC(C)(C)C ZINC000903031056 1317641868 /nfs/dbraw/zinc/64/18/68/1317641868.db2.gz AXFWSBJBUVMGAA-ZDUSSCGKSA-N 1 2 330.432 3.195 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ncccc1N(C)C ZINC000810167702 1317968150 /nfs/dbraw/zinc/96/81/50/1317968150.db2.gz NAYSMRAJADLOST-UHFFFAOYSA-N 1 2 329.831 3.103 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907815790 1318264291 /nfs/dbraw/zinc/26/42/91/1318264291.db2.gz NYJBDXRKLSVORS-OAHLLOKOSA-N 1 2 327.472 3.480 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907815790 1318264298 /nfs/dbraw/zinc/26/42/98/1318264298.db2.gz NYJBDXRKLSVORS-OAHLLOKOSA-N 1 2 327.472 3.480 20 30 EGEDLO CC(=[NH+]Nc1ccc([N+](=O)[O-])cc1)c1cccc(N2CCOCC2)c1 ZINC000812370226 1318377573 /nfs/dbraw/zinc/37/75/73/1318377573.db2.gz AHBBWCVFHZJBCE-UHFFFAOYSA-N 1 2 340.383 3.268 20 30 EGEDLO C=CCn1c([C@@H](C)CC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000908665706 1318385821 /nfs/dbraw/zinc/38/58/21/1318385821.db2.gz WEXAHUMZWHHRIY-HNNXBMFYSA-N 1 2 340.475 3.454 20 30 EGEDLO N#Cc1ccccc1C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC1CC1 ZINC000960242627 1318426490 /nfs/dbraw/zinc/42/64/90/1318426490.db2.gz JLLLPPHRVBUDKZ-IFMALSPDSA-N 1 2 345.446 3.230 20 30 EGEDLO CC[C@H](C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000960449109 1318571099 /nfs/dbraw/zinc/57/10/99/1318571099.db2.gz ITYPJPCSICZXOR-KSSFIOAISA-N 1 2 331.435 3.166 20 30 EGEDLO CC[C@H](C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000960449109 1318571108 /nfs/dbraw/zinc/57/11/08/1318571108.db2.gz ITYPJPCSICZXOR-KSSFIOAISA-N 1 2 331.435 3.166 20 30 EGEDLO C[C@@H](c1c(F)cccc1F)[N@H+](C)C[C@@H]1CCCN1C(=O)C#CC1CC1 ZINC000960626382 1318751732 /nfs/dbraw/zinc/75/17/32/1318751732.db2.gz YIYRTEKWZWIZAY-HOCLYGCPSA-N 1 2 346.421 3.362 20 30 EGEDLO C[C@@H](c1c(F)cccc1F)[N@@H+](C)C[C@@H]1CCCN1C(=O)C#CC1CC1 ZINC000960626382 1318751749 /nfs/dbraw/zinc/75/17/49/1318751749.db2.gz YIYRTEKWZWIZAY-HOCLYGCPSA-N 1 2 346.421 3.362 20 30 EGEDLO CCc1ccc(C#CC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000814672680 1318798014 /nfs/dbraw/zinc/79/80/14/1318798014.db2.gz PODBKBXAHGEPPS-UHFFFAOYSA-N 1 2 336.435 3.280 20 30 EGEDLO CC(=[NH+]Nc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)c(N)c1 ZINC000814802513 1318822063 /nfs/dbraw/zinc/82/20/63/1318822063.db2.gz KYPJPGHHAORLRV-UHFFFAOYSA-N 1 2 337.832 3.162 20 30 EGEDLO CC(=[NH+]N[C@H](C)CCc1ccc2c(c1)OCO2)c1cc(N)ccc1F ZINC000814924482 1318850496 /nfs/dbraw/zinc/85/04/96/1318850496.db2.gz ONNFHQRBQGDTQK-GFCCVEGCSA-N 1 2 343.402 3.472 20 30 EGEDLO COC(=O)c1cc(N[NH+]=C(C)c2cc([N+](=O)[O-])ccc2N)ccc1C ZINC000814938155 1318854074 /nfs/dbraw/zinc/85/40/74/1318854074.db2.gz XBRBMJBFFZGTDF-UHFFFAOYSA-N 1 2 342.355 3.108 20 30 EGEDLO COc1ccc(N[NH+]=Cc2cnc(N(C)C)nc2)c(C(F)(F)F)c1 ZINC000814937451 1318854151 /nfs/dbraw/zinc/85/41/51/1318854151.db2.gz GPXOPARNZPMGNB-UHFFFAOYSA-N 1 2 339.321 3.016 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)[C@H](C)c1nnc(CC)o1 ZINC000960785137 1318885889 /nfs/dbraw/zinc/88/58/89/1318885889.db2.gz DRASDUIBAGSPFV-CABCVRRESA-N 1 2 348.491 3.218 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)[C@H](C)c1nnc(CC)o1 ZINC000960785137 1318885896 /nfs/dbraw/zinc/88/58/96/1318885896.db2.gz DRASDUIBAGSPFV-CABCVRRESA-N 1 2 348.491 3.218 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ncc(C)s1 ZINC000960788781 1318889837 /nfs/dbraw/zinc/88/98/37/1318889837.db2.gz UQCXWFNTXBPFCA-HNNXBMFYSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ncc(C)s1 ZINC000960788781 1318889843 /nfs/dbraw/zinc/88/98/43/1318889843.db2.gz UQCXWFNTXBPFCA-HNNXBMFYSA-N 1 2 335.517 3.477 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ncc(C(C)C)o1 ZINC000960790320 1318893791 /nfs/dbraw/zinc/89/37/91/1318893791.db2.gz LZSDRHWTQGHPBQ-HNNXBMFYSA-N 1 2 333.476 3.433 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ncc(C(C)C)o1 ZINC000960790320 1318893794 /nfs/dbraw/zinc/89/37/94/1318893794.db2.gz LZSDRHWTQGHPBQ-HNNXBMFYSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccn(C(C)C)n1 ZINC000960827321 1318953243 /nfs/dbraw/zinc/95/32/43/1318953243.db2.gz PKQDERVTAQICCT-AZUAARDMSA-N 1 2 346.519 3.489 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccn(C(C)C)n1 ZINC000960827321 1318953247 /nfs/dbraw/zinc/95/32/47/1318953247.db2.gz PKQDERVTAQICCT-AZUAARDMSA-N 1 2 346.519 3.489 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nc(C)c(C)o1 ZINC000960837583 1318969029 /nfs/dbraw/zinc/96/90/29/1318969029.db2.gz JXFKWGGGEQBMMV-APWZRJJASA-N 1 2 333.476 3.317 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nc(C)c(C)o1 ZINC000960837583 1318969036 /nfs/dbraw/zinc/96/90/36/1318969036.db2.gz JXFKWGGGEQBMMV-APWZRJJASA-N 1 2 333.476 3.317 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2nc(C)oc2C)C1 ZINC000960844809 1318978841 /nfs/dbraw/zinc/97/88/41/1318978841.db2.gz BGMAEFFUAIPFHU-MRXNPFEDSA-N 1 2 331.460 3.071 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2nc(C)oc2C)C1 ZINC000960844809 1318978852 /nfs/dbraw/zinc/97/88/52/1318978852.db2.gz BGMAEFFUAIPFHU-MRXNPFEDSA-N 1 2 331.460 3.071 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2ncc(CC)o2)C1 ZINC000960845857 1318982189 /nfs/dbraw/zinc/98/21/89/1318982189.db2.gz HGMQMALISZAAAU-OAHLLOKOSA-N 1 2 331.460 3.016 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2ncc(CC)o2)C1 ZINC000960845857 1318982195 /nfs/dbraw/zinc/98/21/95/1318982195.db2.gz HGMQMALISZAAAU-OAHLLOKOSA-N 1 2 331.460 3.016 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2csc(CC)n2)C1 ZINC000960850304 1318988399 /nfs/dbraw/zinc/98/83/99/1318988399.db2.gz IKYVVCYGNDEXQW-MRXNPFEDSA-N 1 2 347.528 3.485 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2csc(CC)n2)C1 ZINC000960850304 1318988410 /nfs/dbraw/zinc/98/84/10/1318988410.db2.gz IKYVVCYGNDEXQW-MRXNPFEDSA-N 1 2 347.528 3.485 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC000960854752 1318995893 /nfs/dbraw/zinc/99/58/93/1318995893.db2.gz VIFQACIGEOILHQ-SFHVURJKSA-N 1 2 344.503 3.243 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC000960854752 1318995906 /nfs/dbraw/zinc/99/59/06/1318995906.db2.gz VIFQACIGEOILHQ-SFHVURJKSA-N 1 2 344.503 3.243 20 30 EGEDLO C=CCc1cc(C[NH2+][C@H](C)c2c[nH+]ccc2N)cc(OC)c1OC ZINC000817908913 1319457939 /nfs/dbraw/zinc/45/79/39/1319457939.db2.gz JGFINJDCGBPSAW-CYBMUJFWSA-N 1 2 327.428 3.091 20 30 EGEDLO C=CCc1cc(CN[C@H](C)c2c[nH+]ccc2N)cc(OC)c1OC ZINC000817908913 1319457964 /nfs/dbraw/zinc/45/79/64/1319457964.db2.gz JGFINJDCGBPSAW-CYBMUJFWSA-N 1 2 327.428 3.091 20 30 EGEDLO C[C@H]1CN(c2ccccc2C=[NH+]Nc2nc3ccccc3[nH]2)CCO1 ZINC000915938132 1319567005 /nfs/dbraw/zinc/56/70/05/1319567005.db2.gz ZEVPDHPOWVNZMN-AWEZNQCLSA-N 1 2 335.411 3.234 20 30 EGEDLO CCN(CC)c1ccc(C=[NH+]NC(=S)Nc2cccnc2)cc1 ZINC000916298262 1319633679 /nfs/dbraw/zinc/63/36/79/1319633679.db2.gz IBEWKOBXTJRBQF-UHFFFAOYSA-N 1 2 327.457 3.248 20 30 EGEDLO CCOc1cc(C#N)ccc1OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000916373959 1319647255 /nfs/dbraw/zinc/64/72/55/1319647255.db2.gz YLOVSMZTURPUNS-UHFFFAOYSA-N 1 2 347.374 3.421 20 30 EGEDLO C[C@@H]1CCCC[C@H]1NC(=S)NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000917025605 1319741045 /nfs/dbraw/zinc/74/10/45/1319741045.db2.gz AUUXSJLMKBRJPI-RHSMWYFYSA-N 1 2 341.484 3.249 20 30 EGEDLO N#Cc1ccc(F)c(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000822493560 1320088791 /nfs/dbraw/zinc/08/87/91/1320088791.db2.gz XZGQSAUNVIYJFE-UHFFFAOYSA-N 1 2 338.386 3.013 20 30 EGEDLO C=CCOc1ccc(CC(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000822888640 1320133715 /nfs/dbraw/zinc/13/37/15/1320133715.db2.gz XNJKVUUCXSUMCG-UHFFFAOYSA-N 1 2 340.423 3.131 20 30 EGEDLO CC(C)(C)OC(=O)NCC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C(F)F ZINC000824677360 1320276385 /nfs/dbraw/zinc/27/63/85/1320276385.db2.gz CGGJHQPMFGVTNW-XQQFMLRXSA-N 1 2 331.407 3.207 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000826861544 1320409579 /nfs/dbraw/zinc/40/95/79/1320409579.db2.gz GNNKOIFQUXZGEK-NSHDSACASA-N 1 2 338.205 3.483 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000826861544 1320409580 /nfs/dbraw/zinc/40/95/80/1320409580.db2.gz GNNKOIFQUXZGEK-NSHDSACASA-N 1 2 338.205 3.483 20 30 EGEDLO Cc1nc(C[NH+]2CCC(C(=O)O[C@H]3CCC[C@H](C#N)C3)CC2)cs1 ZINC000839052260 1320858732 /nfs/dbraw/zinc/85/87/32/1320858732.db2.gz MWVILLGKKGEKMG-YOEHRIQHSA-N 1 2 347.484 3.289 20 30 EGEDLO N#Cc1ccc(C2=CC[N@H+](CN3C(=O)[C@@H](C4CC4)[C@@H]3C3CC3)CC2)cc1 ZINC000840036340 1321017819 /nfs/dbraw/zinc/01/78/19/1321017819.db2.gz GIXIBIJHADHUFW-SFTDATJTSA-N 1 2 347.462 3.252 20 30 EGEDLO N#Cc1ccc(C2=CC[N@@H+](CN3C(=O)[C@@H](C4CC4)[C@@H]3C3CC3)CC2)cc1 ZINC000840036340 1321017820 /nfs/dbraw/zinc/01/78/20/1321017820.db2.gz GIXIBIJHADHUFW-SFTDATJTSA-N 1 2 347.462 3.252 20 30 EGEDLO CCOC(=O)Nc1ccc2c(C[NH2+][C@@H](CC)CC#N)cc(=O)oc2c1 ZINC000846994244 1321832039 /nfs/dbraw/zinc/83/20/39/1321832039.db2.gz PIIDDUMGPGXUMU-ZDUSSCGKSA-N 1 2 343.383 3.143 20 30 EGEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc(-c2ccc(Br)s2)no1 ZINC000852103055 1323148079 /nfs/dbraw/zinc/14/80/79/1323148079.db2.gz WPHOHHQFGZNPMS-ZDUSSCGKSA-N 1 2 340.246 3.452 20 30 EGEDLO C=C(Br)C[N@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000852133874 1323153259 /nfs/dbraw/zinc/15/32/59/1323153259.db2.gz MYJJDEIYHYZTSX-UHFFFAOYSA-N 1 2 325.254 3.247 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000852133874 1323153263 /nfs/dbraw/zinc/15/32/63/1323153263.db2.gz MYJJDEIYHYZTSX-UHFFFAOYSA-N 1 2 325.254 3.247 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccco2)c1 ZINC001024303728 1323286153 /nfs/dbraw/zinc/28/61/53/1323286153.db2.gz RQDOGZAGLCZZQI-MRXNPFEDSA-N 1 2 341.386 3.075 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccco2)c1 ZINC001024303728 1323286162 /nfs/dbraw/zinc/28/61/62/1323286162.db2.gz RQDOGZAGLCZZQI-MRXNPFEDSA-N 1 2 341.386 3.075 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c1CCCC2 ZINC001024484180 1323438017 /nfs/dbraw/zinc/43/80/17/1323438017.db2.gz MWPPOCACYJPVIE-OAHLLOKOSA-N 1 2 335.879 3.161 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c1CCCC2 ZINC001024484180 1323438021 /nfs/dbraw/zinc/43/80/21/1323438021.db2.gz MWPPOCACYJPVIE-OAHLLOKOSA-N 1 2 335.879 3.161 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccnc(CCC)c1 ZINC001024491929 1323444268 /nfs/dbraw/zinc/44/42/68/1323444268.db2.gz HNMXDCHUJPTRBO-QGZVFWFLSA-N 1 2 335.879 3.371 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccnc(CCC)c1 ZINC001024491929 1323444271 /nfs/dbraw/zinc/44/42/71/1323444271.db2.gz HNMXDCHUJPTRBO-QGZVFWFLSA-N 1 2 335.879 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1COC ZINC001024529763 1323475702 /nfs/dbraw/zinc/47/57/02/1323475702.db2.gz YHIWBTXUXKRYSX-INIZCTEOSA-N 1 2 336.863 3.170 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1COC ZINC001024529763 1323475707 /nfs/dbraw/zinc/47/57/07/1323475707.db2.gz YHIWBTXUXKRYSX-INIZCTEOSA-N 1 2 336.863 3.170 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1OCCc2ccccc21 ZINC001024593067 1323525142 /nfs/dbraw/zinc/52/51/42/1323525142.db2.gz ZSWMQUKHQHKACI-WMZOPIPTSA-N 1 2 348.874 3.024 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1OCCc2ccccc21 ZINC001024593067 1323525148 /nfs/dbraw/zinc/52/51/48/1323525148.db2.gz ZSWMQUKHQHKACI-WMZOPIPTSA-N 1 2 348.874 3.024 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2nnc(C(C)C)o2)C1 ZINC001025074523 1323876494 /nfs/dbraw/zinc/87/64/94/1323876494.db2.gz NHZYDTRJYLGSGW-OAHLLOKOSA-N 1 2 346.475 3.020 20 30 EGEDLO N#Cc1ccc(NC(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1F ZINC000931479019 1329126990 /nfs/dbraw/zinc/12/69/90/1329126990.db2.gz IXJQAJZCAWVQKT-UHFFFAOYSA-N 1 2 339.374 3.201 20 30 EGEDLO C=CC[C@H]1CCC[N@@H+](Cn2nc(CO)n(-c3ccccc3)c2=S)C1 ZINC000853537510 1325118544 /nfs/dbraw/zinc/11/85/44/1325118544.db2.gz ZASPWHZOPLATPJ-HNNXBMFYSA-N 1 2 344.484 3.141 20 30 EGEDLO C=CC[C@H]1CCC[N@H+](Cn2nc(CO)n(-c3ccccc3)c2=S)C1 ZINC000853537510 1325118551 /nfs/dbraw/zinc/11/85/51/1325118551.db2.gz ZASPWHZOPLATPJ-HNNXBMFYSA-N 1 2 344.484 3.141 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)CC2(C)CC2)C1 ZINC001027496196 1327757595 /nfs/dbraw/zinc/75/75/95/1327757595.db2.gz MATHVSMLFYTPTO-ZDUSSCGKSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)CC2(C)CC2)C1 ZINC001027496196 1327757601 /nfs/dbraw/zinc/75/76/01/1327757601.db2.gz MATHVSMLFYTPTO-ZDUSSCGKSA-N 1 2 329.282 3.008 20 30 EGEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927072542 1327842970 /nfs/dbraw/zinc/84/29/70/1327842970.db2.gz KKQZGNAAIWQYPK-MRXNPFEDSA-N 1 2 348.450 3.235 20 30 EGEDLO N#Cc1cc(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)ccc1Cl ZINC000927088367 1327855933 /nfs/dbraw/zinc/85/59/33/1327855933.db2.gz YWVULUZKCCWNKW-UHFFFAOYSA-N 1 2 340.814 3.323 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001027644011 1328017004 /nfs/dbraw/zinc/01/70/04/1328017004.db2.gz UJTVQWIWVLTJRB-CQSZACIVSA-N 1 2 338.883 3.130 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001027644011 1328017009 /nfs/dbraw/zinc/01/70/09/1328017009.db2.gz UJTVQWIWVLTJRB-CQSZACIVSA-N 1 2 338.883 3.130 20 30 EGEDLO C=C[C@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccon2)C1)c1ccccc1 ZINC001027691096 1328093926 /nfs/dbraw/zinc/09/39/26/1328093926.db2.gz UVLNERXSWOTFTP-OALUTQOASA-N 1 2 339.439 3.067 20 30 EGEDLO C=C[C@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccon2)C1)c1ccccc1 ZINC001027691096 1328093933 /nfs/dbraw/zinc/09/39/33/1328093933.db2.gz UVLNERXSWOTFTP-OALUTQOASA-N 1 2 339.439 3.067 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001027885472 1328353357 /nfs/dbraw/zinc/35/33/57/1328353357.db2.gz AABVOJYTLXBJKH-KSZLIROESA-N 1 2 348.874 3.240 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001027885472 1328353362 /nfs/dbraw/zinc/35/33/62/1328353362.db2.gz AABVOJYTLXBJKH-KSZLIROESA-N 1 2 348.874 3.240 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccoc1C(F)(F)F ZINC001027907652 1328380499 /nfs/dbraw/zinc/38/04/99/1328380499.db2.gz AHILMTRQHVVEPL-SNVBAGLBSA-N 1 2 336.741 3.245 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccoc1C(F)(F)F ZINC001027907652 1328380507 /nfs/dbraw/zinc/38/05/07/1328380507.db2.gz AHILMTRQHVVEPL-SNVBAGLBSA-N 1 2 336.741 3.245 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2ccncc2)o1 ZINC001027929266 1328407785 /nfs/dbraw/zinc/40/77/85/1328407785.db2.gz CVRRDKSNHBXDCP-OAHLLOKOSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2ccncc2)o1 ZINC001027929266 1328407791 /nfs/dbraw/zinc/40/77/91/1328407791.db2.gz CVRRDKSNHBXDCP-OAHLLOKOSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001027965221 1328437959 /nfs/dbraw/zinc/43/79/59/1328437959.db2.gz UEUBIABZOATEHT-ZIAGYGMSSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001027965221 1328437961 /nfs/dbraw/zinc/43/79/61/1328437961.db2.gz UEUBIABZOATEHT-ZIAGYGMSSA-N 1 2 341.293 3.056 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000862324912 1329475507 /nfs/dbraw/zinc/47/55/07/1329475507.db2.gz YBRVCAOTFGXZRT-NVXWUHKLSA-N 1 2 340.427 3.017 20 30 EGEDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C#N)cc1F ZINC000867628202 1330211864 /nfs/dbraw/zinc/21/18/64/1330211864.db2.gz SQWOFMZLHAIXFH-UHFFFAOYSA-N 1 2 333.388 3.088 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C4CC4)o3)C[C@H]2C)C1 ZINC000942602194 1331999163 /nfs/dbraw/zinc/99/91/63/1331999163.db2.gz FNGXKVYZOOVASL-ZBFHGGJFSA-N 1 2 343.471 3.235 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C4CC4)o3)C[C@H]2C)C1 ZINC000942602194 1331999166 /nfs/dbraw/zinc/99/91/66/1331999166.db2.gz FNGXKVYZOOVASL-ZBFHGGJFSA-N 1 2 343.471 3.235 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2cccs2)C[C@@H]1C ZINC000947018169 1332975424 /nfs/dbraw/zinc/97/54/24/1332975424.db2.gz UNAOLYKFAVLTGW-NWDGAFQWSA-N 1 2 343.290 3.239 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3coc(C4CC4)n3)[C@@H](C)C2)C1 ZINC000947702675 1333232341 /nfs/dbraw/zinc/23/23/41/1333232341.db2.gz QWTYUMPZTUKDTK-HOCLYGCPSA-N 1 2 343.471 3.377 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3coc(C4CC4)n3)[C@@H](C)C2)C1 ZINC000947702675 1333232344 /nfs/dbraw/zinc/23/23/44/1333232344.db2.gz QWTYUMPZTUKDTK-HOCLYGCPSA-N 1 2 343.471 3.377 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(C(C)C)o3)[C@H](C)C2)C1 ZINC000947702581 1333232841 /nfs/dbraw/zinc/23/28/41/1333232841.db2.gz QARCTRCHHFMRHM-CABCVRRESA-N 1 2 346.475 3.018 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nnc(C(C)C)o3)[C@H](C)C2)C1 ZINC000947702581 1333232843 /nfs/dbraw/zinc/23/28/43/1333232843.db2.gz QARCTRCHHFMRHM-CABCVRRESA-N 1 2 346.475 3.018 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)C(C)(C)C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947961347 1333322027 /nfs/dbraw/zinc/32/20/27/1333322027.db2.gz AXRYHSWESCDOPD-SUMWQHHRSA-N 1 2 331.435 3.213 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)C(C)(C)C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947961347 1333322033 /nfs/dbraw/zinc/32/20/33/1333322033.db2.gz AXRYHSWESCDOPD-SUMWQHHRSA-N 1 2 331.435 3.213 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3nncs3)CC2)CC1 ZINC000948747203 1333658039 /nfs/dbraw/zinc/65/80/39/1333658039.db2.gz QZVBDEQNYSVPTF-MRXNPFEDSA-N 1 2 348.516 3.097 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3nncs3)CC2)CC1 ZINC000948747203 1333658043 /nfs/dbraw/zinc/65/80/43/1333658043.db2.gz QZVBDEQNYSVPTF-MRXNPFEDSA-N 1 2 348.516 3.097 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cscc1C ZINC000948902780 1333727554 /nfs/dbraw/zinc/72/75/54/1333727554.db2.gz VFFNUQSDURRDAK-IBGZPJMESA-N 1 2 338.476 3.409 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cscc1C ZINC000948902780 1333727559 /nfs/dbraw/zinc/72/75/59/1333727559.db2.gz VFFNUQSDURRDAK-IBGZPJMESA-N 1 2 338.476 3.409 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(C(C)C)nc1 ZINC000948923617 1333735986 /nfs/dbraw/zinc/73/59/86/1333735986.db2.gz NMMXCCDAISKLOB-OAQYLSRUSA-N 1 2 347.462 3.167 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(C(C)C)nc1 ZINC000948923617 1333735988 /nfs/dbraw/zinc/73/59/88/1333735988.db2.gz NMMXCCDAISKLOB-OAQYLSRUSA-N 1 2 347.462 3.167 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)n(CC)c1C ZINC000948932895 1333738847 /nfs/dbraw/zinc/73/88/47/1333738847.db2.gz PHJASPDQAKUADT-NRFANRHFSA-N 1 2 349.478 3.087 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)n(CC)c1C ZINC000948932895 1333738850 /nfs/dbraw/zinc/73/88/50/1333738850.db2.gz PHJASPDQAKUADT-NRFANRHFSA-N 1 2 349.478 3.087 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ocnc1C1CC1 ZINC000948958823 1333747677 /nfs/dbraw/zinc/74/76/77/1333747677.db2.gz QFHFDUGMOBPVIV-QGZVFWFLSA-N 1 2 337.423 3.067 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ocnc1C1CC1 ZINC000948958823 1333747682 /nfs/dbraw/zinc/74/76/82/1333747682.db2.gz QFHFDUGMOBPVIV-QGZVFWFLSA-N 1 2 337.423 3.067 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C(C)C)no1 ZINC000948966250 1333750066 /nfs/dbraw/zinc/75/00/66/1333750066.db2.gz XBYUVYCSBBFAKA-GOSISDBHSA-N 1 2 339.439 3.313 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C(C)C)no1 ZINC000948966250 1333750067 /nfs/dbraw/zinc/75/00/67/1333750067.db2.gz XBYUVYCSBBFAKA-GOSISDBHSA-N 1 2 339.439 3.313 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccccc1Cl ZINC000948983261 1333758367 /nfs/dbraw/zinc/75/83/67/1333758367.db2.gz XRDCVPQXVJIHFB-IBGZPJMESA-N 1 2 338.838 3.302 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccccc1Cl ZINC000948983261 1333758370 /nfs/dbraw/zinc/75/83/70/1333758370.db2.gz XRDCVPQXVJIHFB-IBGZPJMESA-N 1 2 338.838 3.302 20 30 EGEDLO C=C1CCC(C(=O)N2CC[NH+](CCc3ccc(F)c(F)c3)CC2)CC1 ZINC000950022602 1333993967 /nfs/dbraw/zinc/99/39/67/1333993967.db2.gz DSEGSAFDHFVSNJ-UHFFFAOYSA-N 1 2 348.437 3.398 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccn(C3CCCCC3)n2)C1 ZINC000950094334 1334013936 /nfs/dbraw/zinc/01/39/36/1334013936.db2.gz KXZSHLGRDSCTTG-UHFFFAOYSA-N 1 2 330.476 3.111 20 30 EGEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCO[C@H]2c2ccc(C)cc2)C1 ZINC000952444439 1334461183 /nfs/dbraw/zinc/46/11/83/1334461183.db2.gz RKWCFOZWHCHKBO-UXHICEINSA-N 1 2 342.483 3.181 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC2(CCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001063599500 1351934216 /nfs/dbraw/zinc/93/42/16/1351934216.db2.gz NSLOELFIGMUUHZ-UHFFFAOYSA-N 1 2 342.487 3.206 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc3ncccc32)C1 ZINC000967601340 1335787330 /nfs/dbraw/zinc/78/73/30/1335787330.db2.gz YXFPJZGRUQWEOR-ACJLOTCBSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc3ncccc32)C1 ZINC000967601340 1335787333 /nfs/dbraw/zinc/78/73/33/1335787333.db2.gz YXFPJZGRUQWEOR-ACJLOTCBSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnc3ccccc3c2)C1 ZINC000968361267 1335903308 /nfs/dbraw/zinc/90/33/08/1335903308.db2.gz UIWGBFCHABXLSM-ACJLOTCBSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnc3ccccc3c2)C1 ZINC000968361267 1335903312 /nfs/dbraw/zinc/90/33/12/1335903312.db2.gz UIWGBFCHABXLSM-ACJLOTCBSA-N 1 2 343.858 3.428 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(OCC)c2)C1 ZINC000968363958 1335903729 /nfs/dbraw/zinc/90/37/29/1335903729.db2.gz AXICAMLBUVORSX-DYVFJYSZSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(OCC)c2)C1 ZINC000968363958 1335903734 /nfs/dbraw/zinc/90/37/34/1335903734.db2.gz AXICAMLBUVORSX-DYVFJYSZSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2ccsc2C)C1 ZINC000968391389 1335916956 /nfs/dbraw/zinc/91/69/56/1335916956.db2.gz RMHAUJQXJQFNME-IAQYHMDHSA-N 1 2 326.893 3.178 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2ccsc2C)C1 ZINC000968391389 1335916958 /nfs/dbraw/zinc/91/69/58/1335916958.db2.gz RMHAUJQXJQFNME-IAQYHMDHSA-N 1 2 326.893 3.178 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3scnc3c2)C1 ZINC000968493909 1335940906 /nfs/dbraw/zinc/94/09/06/1335940906.db2.gz ZJRPANYXQYXVLN-XHDPSFHLSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3scnc3c2)C1 ZINC000968493909 1335940907 /nfs/dbraw/zinc/94/09/07/1335940907.db2.gz ZJRPANYXQYXVLN-XHDPSFHLSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(OCC)cc2)C1 ZINC000968598191 1335978227 /nfs/dbraw/zinc/97/82/27/1335978227.db2.gz BKIXEVVTQYFCOG-GUYCJALGSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(OCC)cc2)C1 ZINC000968598191 1335978230 /nfs/dbraw/zinc/97/82/30/1335978230.db2.gz BKIXEVVTQYFCOG-GUYCJALGSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2ccc3ccccc32)C1 ZINC000968663920 1336002173 /nfs/dbraw/zinc/00/21/73/1336002173.db2.gz CEDMHVJXUDZVIF-PBHICJAKSA-N 1 2 345.874 3.220 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2ccc3ccccc32)C1 ZINC000968663920 1336002175 /nfs/dbraw/zinc/00/21/75/1336002175.db2.gz CEDMHVJXUDZVIF-PBHICJAKSA-N 1 2 345.874 3.220 20 30 EGEDLO C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1n[nH]c2ccc(C)cc21 ZINC000968931525 1336094462 /nfs/dbraw/zinc/09/44/62/1336094462.db2.gz RANHYZSXXUQAAN-MRXNPFEDSA-N 1 2 340.471 3.422 20 30 EGEDLO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1n[nH]c2ccc(C)cc21 ZINC000968931525 1336094463 /nfs/dbraw/zinc/09/44/63/1336094463.db2.gz RANHYZSXXUQAAN-MRXNPFEDSA-N 1 2 340.471 3.422 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(-c3ccncc3)o2)C1 ZINC000969833409 1336252476 /nfs/dbraw/zinc/25/24/76/1336252476.db2.gz NFPPOYMFMWKIHF-CYBMUJFWSA-N 1 2 345.830 3.144 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc3c(c2)C(C)(C)CO3)C1 ZINC000970131011 1336282569 /nfs/dbraw/zinc/28/25/69/1336282569.db2.gz LCLQXXPVLCDUDS-CYBMUJFWSA-N 1 2 348.874 3.159 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC000970351852 1336297521 /nfs/dbraw/zinc/29/75/21/1336297521.db2.gz QIWSPKWEUASQSF-SNVBAGLBSA-N 1 2 331.218 3.282 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnc3ccccc3c2)C1 ZINC000970496150 1336313469 /nfs/dbraw/zinc/31/34/69/1336313469.db2.gz LXBSCZVRITXPOK-ZDUSSCGKSA-N 1 2 329.831 3.037 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2[nH]ccc2-c2ccccc2)C1 ZINC000970728201 1336336019 /nfs/dbraw/zinc/33/60/19/1336336019.db2.gz GXFWHVAFGFAHDM-CQSZACIVSA-N 1 2 343.858 3.484 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@@H](C)C2)CC1 ZINC001006081769 1336448833 /nfs/dbraw/zinc/44/88/33/1336448833.db2.gz GZNLZHFLNGQDDH-TZMCWYRMSA-N 1 2 343.309 3.254 20 30 EGEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)c1ccccc1F ZINC001006583374 1336531373 /nfs/dbraw/zinc/53/13/73/1336531373.db2.gz DIUFCOMXTAOYIU-GOSISDBHSA-N 1 2 336.410 3.072 20 30 EGEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1ccccc1F ZINC001006583374 1336531375 /nfs/dbraw/zinc/53/13/75/1336531375.db2.gz DIUFCOMXTAOYIU-GOSISDBHSA-N 1 2 336.410 3.072 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3cccs3)C2)ccc1F ZINC001006627915 1336542078 /nfs/dbraw/zinc/54/20/78/1336542078.db2.gz YSPSHOWEQCTBJI-OAHLLOKOSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)c3cccs3)C2)ccc1F ZINC001006627915 1336542081 /nfs/dbraw/zinc/54/20/81/1336542081.db2.gz YSPSHOWEQCTBJI-OAHLLOKOSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](NC(=O)C[C@H]3C=CCC3)C2)c1 ZINC001006702677 1336559357 /nfs/dbraw/zinc/55/93/57/1336559357.db2.gz GZDIKOBATFLTQT-MAUKXSAKSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](NC(=O)C[C@H]3C=CCC3)C2)c1 ZINC001006702677 1336559359 /nfs/dbraw/zinc/55/93/59/1336559359.db2.gz GZDIKOBATFLTQT-MAUKXSAKSA-N 1 2 341.430 3.134 20 30 EGEDLO C[C@H](C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)C1CCC1 ZINC001007594260 1336672815 /nfs/dbraw/zinc/67/28/15/1336672815.db2.gz HISKYISPVDGYNJ-JXFKEZNVSA-N 1 2 342.458 3.194 20 30 EGEDLO C[C@H](C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)C1CCC1 ZINC001007594260 1336672818 /nfs/dbraw/zinc/67/28/18/1336672818.db2.gz HISKYISPVDGYNJ-JXFKEZNVSA-N 1 2 342.458 3.194 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3(F)CCCC3)C2)cc1F ZINC001007710155 1336689890 /nfs/dbraw/zinc/68/98/90/1336689890.db2.gz FACUQXJHLJXIBW-MRXNPFEDSA-N 1 2 347.409 3.060 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C3(F)CCCC3)C2)cc1F ZINC001007710155 1336689896 /nfs/dbraw/zinc/68/98/96/1336689896.db2.gz FACUQXJHLJXIBW-MRXNPFEDSA-N 1 2 347.409 3.060 20 30 EGEDLO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2n[nH]c3ccc(C)cc32)C1 ZINC001007777957 1336697795 /nfs/dbraw/zinc/69/77/95/1336697795.db2.gz UNLHVOZQONKBMU-OAHLLOKOSA-N 1 2 326.444 3.032 20 30 EGEDLO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2n[nH]c3ccc(C)cc32)C1 ZINC001007777957 1336697798 /nfs/dbraw/zinc/69/77/98/1336697798.db2.gz UNLHVOZQONKBMU-OAHLLOKOSA-N 1 2 326.444 3.032 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C)c2c(F)cccc2F)C1 ZINC001007945607 1336737023 /nfs/dbraw/zinc/73/70/23/1336737023.db2.gz YFIZFTGGWHYRGF-STQMWFEESA-N 1 2 342.817 3.401 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)c2c(F)cccc2F)C1 ZINC001007945607 1336737025 /nfs/dbraw/zinc/73/70/25/1336737025.db2.gz YFIZFTGGWHYRGF-STQMWFEESA-N 1 2 342.817 3.401 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2COc3cc(C)c(C)cc32)C1 ZINC001008057145 1336760449 /nfs/dbraw/zinc/76/04/49/1336760449.db2.gz LCROCEDUGKAISP-RDJZCZTQSA-N 1 2 348.874 3.113 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2COc3cc(C)c(C)cc32)C1 ZINC001008057145 1336760451 /nfs/dbraw/zinc/76/04/51/1336760451.db2.gz LCROCEDUGKAISP-RDJZCZTQSA-N 1 2 348.874 3.113 20 30 EGEDLO CC1(C)CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001008225190 1336796744 /nfs/dbraw/zinc/79/67/44/1336796744.db2.gz OBCOAZSBPUTZLU-OALUTQOASA-N 1 2 339.483 3.465 20 30 EGEDLO CC1(C)CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001008225190 1336796746 /nfs/dbraw/zinc/79/67/46/1336796746.db2.gz OBCOAZSBPUTZLU-OALUTQOASA-N 1 2 339.483 3.465 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2-n2cccc2)C1 ZINC001008397101 1336842434 /nfs/dbraw/zinc/84/24/34/1336842434.db2.gz BXUQXCGYOJMXHN-INIZCTEOSA-N 1 2 343.858 3.424 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccccc2-n2cccc2)C1 ZINC001008397101 1336842438 /nfs/dbraw/zinc/84/24/38/1336842438.db2.gz BXUQXCGYOJMXHN-INIZCTEOSA-N 1 2 343.858 3.424 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(F)ccc3OC)C2)C1 ZINC001008437635 1336853198 /nfs/dbraw/zinc/85/31/98/1336853198.db2.gz PESACLZTQZDITI-KRWDZBQOSA-N 1 2 346.446 3.271 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3cc(F)ccc3OC)C2)C1 ZINC001008437635 1336853202 /nfs/dbraw/zinc/85/32/02/1336853202.db2.gz PESACLZTQZDITI-KRWDZBQOSA-N 1 2 346.446 3.271 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C1 ZINC001008814834 1336929574 /nfs/dbraw/zinc/92/95/74/1336929574.db2.gz OADPFLIWGJFLSJ-RYQLBKOJSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C1 ZINC001008814834 1336929578 /nfs/dbraw/zinc/92/95/78/1336929578.db2.gz OADPFLIWGJFLSJ-RYQLBKOJSA-N 1 2 348.874 3.132 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC001009079312 1336964649 /nfs/dbraw/zinc/96/46/49/1336964649.db2.gz LFLWGJXOOZDFCS-RTBURBONSA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC001009079312 1336964651 /nfs/dbraw/zinc/96/46/51/1336964651.db2.gz LFLWGJXOOZDFCS-RTBURBONSA-N 1 2 337.467 3.219 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cc3c(C)cccn3c2)C1 ZINC001009185091 1336983142 /nfs/dbraw/zinc/98/31/42/1336983142.db2.gz AJBVIIRIJZSDSB-MRXNPFEDSA-N 1 2 331.847 3.194 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(C)cccn3c2)C1 ZINC001009185091 1336983145 /nfs/dbraw/zinc/98/31/45/1336983145.db2.gz AJBVIIRIJZSDSB-MRXNPFEDSA-N 1 2 331.847 3.194 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001009199871 1336985371 /nfs/dbraw/zinc/98/53/71/1336985371.db2.gz DLCIYBURKGBSKF-KBPBESRZSA-N 1 2 326.893 3.493 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001009199871 1336985373 /nfs/dbraw/zinc/98/53/73/1336985373.db2.gz DLCIYBURKGBSKF-KBPBESRZSA-N 1 2 326.893 3.493 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cc3c(cccc3OC)[nH]2)C1 ZINC001009493919 1337030909 /nfs/dbraw/zinc/03/09/09/1337030909.db2.gz ILWBZODKDQGKTL-CYBMUJFWSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(cccc3OC)[nH]2)C1 ZINC001009493919 1337030913 /nfs/dbraw/zinc/03/09/13/1337030913.db2.gz ILWBZODKDQGKTL-CYBMUJFWSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cncc3ccccc32)C1 ZINC001009606403 1337045942 /nfs/dbraw/zinc/04/59/42/1337045942.db2.gz XKXPHXOWXYSPJV-OAHLLOKOSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cncc3ccccc32)C1 ZINC001009606403 1337045944 /nfs/dbraw/zinc/04/59/44/1337045944.db2.gz XKXPHXOWXYSPJV-OAHLLOKOSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC001009652697 1337054015 /nfs/dbraw/zinc/05/40/15/1337054015.db2.gz XBQUIQQEIFSJMZ-AWEZNQCLSA-N 1 2 331.847 3.423 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC001009652697 1337054019 /nfs/dbraw/zinc/05/40/19/1337054019.db2.gz XBQUIQQEIFSJMZ-AWEZNQCLSA-N 1 2 331.847 3.423 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001009692851 1337060843 /nfs/dbraw/zinc/06/08/43/1337060843.db2.gz SXVXLRDPSREEJX-LPHOPBHVSA-N 1 2 332.875 3.224 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001009692851 1337060847 /nfs/dbraw/zinc/06/08/47/1337060847.db2.gz SXVXLRDPSREEJX-LPHOPBHVSA-N 1 2 332.875 3.224 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)s1 ZINC001009959489 1337123207 /nfs/dbraw/zinc/12/32/07/1337123207.db2.gz OLRBAYUJIYXPNB-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)s1 ZINC001009959489 1337123209 /nfs/dbraw/zinc/12/32/09/1337123209.db2.gz OLRBAYUJIYXPNB-HNNXBMFYSA-N 1 2 343.427 3.072 20 30 EGEDLO Cc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)c1 ZINC001010017122 1337143041 /nfs/dbraw/zinc/14/30/41/1337143041.db2.gz PDBKLEPTWZNHJX-GOSISDBHSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)c1 ZINC001010017122 1337143043 /nfs/dbraw/zinc/14/30/43/1337143043.db2.gz PDBKLEPTWZNHJX-GOSISDBHSA-N 1 2 337.398 3.010 20 30 EGEDLO C[C@@]1(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)CC=CCC1 ZINC001014565236 1337826761 /nfs/dbraw/zinc/82/67/61/1337826761.db2.gz SMJFWQIRPGICEH-TZIWHRDSSA-N 1 2 340.442 3.114 20 30 EGEDLO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)CC=CCC1 ZINC001014565236 1337826763 /nfs/dbraw/zinc/82/67/63/1337826763.db2.gz SMJFWQIRPGICEH-TZIWHRDSSA-N 1 2 340.442 3.114 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2-c2ccncc2)C1 ZINC001014929491 1337956433 /nfs/dbraw/zinc/95/64/33/1337956433.db2.gz DSLPRAOIAVUSBM-MRXNPFEDSA-N 1 2 341.842 3.305 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2-c2ccncc2)C1 ZINC001014929491 1337956434 /nfs/dbraw/zinc/95/64/34/1337956434.db2.gz DSLPRAOIAVUSBM-MRXNPFEDSA-N 1 2 341.842 3.305 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(CC(C)C)cc2)C1 ZINC001015158167 1338036913 /nfs/dbraw/zinc/03/69/13/1338036913.db2.gz BFSUULOJUNDGML-GOSISDBHSA-N 1 2 334.891 3.371 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(CC(C)C)cc2)C1 ZINC001015158167 1338036919 /nfs/dbraw/zinc/03/69/19/1338036919.db2.gz BFSUULOJUNDGML-GOSISDBHSA-N 1 2 334.891 3.371 20 30 EGEDLO Cc1oc(C)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1C ZINC001015177945 1338041965 /nfs/dbraw/zinc/04/19/65/1338041965.db2.gz QFYXADMGWSGECI-SFHVURJKSA-N 1 2 337.423 3.081 20 30 EGEDLO Cc1oc(C)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1C ZINC001015177945 1338041968 /nfs/dbraw/zinc/04/19/68/1338041968.db2.gz QFYXADMGWSGECI-SFHVURJKSA-N 1 2 337.423 3.081 20 30 EGEDLO CC(C)c1ccoc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001015601091 1338202217 /nfs/dbraw/zinc/20/22/17/1338202217.db2.gz KWKIGBCPXNOZNE-CYBMUJFWSA-N 1 2 343.452 3.340 20 30 EGEDLO CC(C)c1ccoc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001015601091 1338202220 /nfs/dbraw/zinc/20/22/20/1338202220.db2.gz KWKIGBCPXNOZNE-CYBMUJFWSA-N 1 2 343.452 3.340 20 30 EGEDLO CC1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CCCCC1 ZINC001015650519 1338230093 /nfs/dbraw/zinc/23/00/93/1338230093.db2.gz RNQZJUJLJIORER-KRWDZBQOSA-N 1 2 343.446 3.358 20 30 EGEDLO CC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CCCCC1 ZINC001015650519 1338230096 /nfs/dbraw/zinc/23/00/96/1338230096.db2.gz RNQZJUJLJIORER-KRWDZBQOSA-N 1 2 343.446 3.358 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)cc3F)C2)CC1 ZINC001015659689 1338238593 /nfs/dbraw/zinc/23/85/93/1338238593.db2.gz IDFBSNOOBJNMGX-KRWDZBQOSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)cc3F)C2)CC1 ZINC001015659689 1338238597 /nfs/dbraw/zinc/23/85/97/1338238597.db2.gz IDFBSNOOBJNMGX-KRWDZBQOSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C1 ZINC001015818385 1338324832 /nfs/dbraw/zinc/32/48/32/1338324832.db2.gz KKLIUNBDUFLNOC-OWCLPIDISA-N 1 2 339.266 3.387 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C1 ZINC001015818385 1338324834 /nfs/dbraw/zinc/32/48/34/1338324834.db2.gz KKLIUNBDUFLNOC-OWCLPIDISA-N 1 2 339.266 3.387 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1C ZINC001016166589 1338487786 /nfs/dbraw/zinc/48/77/86/1338487786.db2.gz BIAQRLHFQWPQMY-HXUWFJFHSA-N 1 2 333.435 3.179 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cc1C ZINC001016166589 1338487789 /nfs/dbraw/zinc/48/77/89/1338487789.db2.gz BIAQRLHFQWPQMY-HXUWFJFHSA-N 1 2 333.435 3.179 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCCc3ccccc32)C1 ZINC001016352968 1338562010 /nfs/dbraw/zinc/56/20/10/1338562010.db2.gz HRZWRJFPLGHFDV-AEFFLSMTSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCCc3ccccc32)C1 ZINC001016352968 1338562014 /nfs/dbraw/zinc/56/20/14/1338562014.db2.gz HRZWRJFPLGHFDV-AEFFLSMTSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(N(C)C(C)C)cc2)C1 ZINC001016390840 1338586645 /nfs/dbraw/zinc/58/66/45/1338586645.db2.gz DBWDSBWJDWSSJD-MRXNPFEDSA-N 1 2 335.879 3.088 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(N(C)C(C)C)cc2)C1 ZINC001016390840 1338586648 /nfs/dbraw/zinc/58/66/48/1338586648.db2.gz DBWDSBWJDWSSJD-MRXNPFEDSA-N 1 2 335.879 3.088 20 30 EGEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2ccncc2s1 ZINC001017618461 1339377781 /nfs/dbraw/zinc/37/77/81/1339377781.db2.gz DHZBRBYIXGEREM-GASCZTMLSA-N 1 2 327.453 3.161 20 30 EGEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2ccncc2s1 ZINC001017618461 1339377784 /nfs/dbraw/zinc/37/77/84/1339377784.db2.gz DHZBRBYIXGEREM-GASCZTMLSA-N 1 2 327.453 3.161 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(o1)c(F)ccc2C ZINC001017760344 1339413574 /nfs/dbraw/zinc/41/35/74/1339413574.db2.gz BLOJRMJYROEPGQ-GASCZTMLSA-N 1 2 340.398 3.192 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(o1)c(F)ccc2C ZINC001017760344 1339413577 /nfs/dbraw/zinc/41/35/77/1339413577.db2.gz BLOJRMJYROEPGQ-GASCZTMLSA-N 1 2 340.398 3.192 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(cc(C)cc2C)[nH]1 ZINC001017777132 1339417308 /nfs/dbraw/zinc/41/73/08/1339417308.db2.gz QGGDVPGQFYDMLU-CALCHBBNSA-N 1 2 335.451 3.097 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(cc(C)cc2C)[nH]1 ZINC001017777132 1339417310 /nfs/dbraw/zinc/41/73/10/1339417310.db2.gz QGGDVPGQFYDMLU-CALCHBBNSA-N 1 2 335.451 3.097 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)Cc1ccccc1C ZINC001018176276 1339522567 /nfs/dbraw/zinc/52/25/67/1339522567.db2.gz DVFJUZPQUFCJQR-SESVDKBCSA-N 1 2 338.495 3.262 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)Cc1ccccc1C ZINC001018176276 1339522569 /nfs/dbraw/zinc/52/25/69/1339522569.db2.gz DVFJUZPQUFCJQR-SESVDKBCSA-N 1 2 338.495 3.262 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1ccccc1Cl ZINC001018191463 1339526549 /nfs/dbraw/zinc/52/65/49/1339526549.db2.gz AHUQHEMMXJVRFU-IYBDPMFKSA-N 1 2 344.886 3.316 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1ccccc1Cl ZINC001018191463 1339526553 /nfs/dbraw/zinc/52/65/53/1339526553.db2.gz AHUQHEMMXJVRFU-IYBDPMFKSA-N 1 2 344.886 3.316 20 30 EGEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2ccccc2)cc1 ZINC001018226620 1339540279 /nfs/dbraw/zinc/54/02/79/1339540279.db2.gz NUQKOGVPRLZLIG-OYRHEFFESA-N 1 2 330.431 3.276 20 30 EGEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2ccccc2)cc1 ZINC001018226620 1339540281 /nfs/dbraw/zinc/54/02/81/1339540281.db2.gz NUQKOGVPRLZLIG-OYRHEFFESA-N 1 2 330.431 3.276 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc2c1CC[C@H](C)C2 ZINC001018236237 1339543582 /nfs/dbraw/zinc/54/35/82/1339543582.db2.gz DKCKJSGYXKWIRY-HRCADAONSA-N 1 2 342.508 3.185 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc2c1CC[C@H](C)C2 ZINC001018236237 1339543584 /nfs/dbraw/zinc/54/35/84/1339543584.db2.gz DKCKJSGYXKWIRY-HRCADAONSA-N 1 2 342.508 3.185 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1cccc(Cl)c1 ZINC001018288574 1339563996 /nfs/dbraw/zinc/56/39/96/1339563996.db2.gz JOZXBVFUXDLMLF-OLMNPRSZSA-N 1 2 330.859 3.142 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1cccc(Cl)c1 ZINC001018288574 1339563998 /nfs/dbraw/zinc/56/39/98/1339563998.db2.gz JOZXBVFUXDLMLF-OLMNPRSZSA-N 1 2 330.859 3.142 20 30 EGEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sc(C(C)(C)C)nc1C ZINC001018340805 1339584181 /nfs/dbraw/zinc/58/41/81/1339584181.db2.gz NDKNVBIMWQJNJE-OKILXGFUSA-N 1 2 333.501 3.224 20 30 EGEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sc(C(C)(C)C)nc1C ZINC001018340805 1339584184 /nfs/dbraw/zinc/58/41/84/1339584184.db2.gz NDKNVBIMWQJNJE-OKILXGFUSA-N 1 2 333.501 3.224 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(F)c(F)cc1F ZINC001028104659 1340428354 /nfs/dbraw/zinc/42/83/54/1340428354.db2.gz DTFDISAUDBATSH-SNVBAGLBSA-N 1 2 332.753 3.051 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)c(F)cc1F ZINC001028104659 1340428357 /nfs/dbraw/zinc/42/83/57/1340428357.db2.gz DTFDISAUDBATSH-SNVBAGLBSA-N 1 2 332.753 3.051 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@H+]2[C@H](C)c2nnc(CC)o2)CC1 ZINC001028116980 1340438246 /nfs/dbraw/zinc/43/82/46/1340438246.db2.gz LPQJKOLJYDNZLF-GDBMZVCRSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+]2[C@H](C)c2nnc(CC)o2)CC1 ZINC001028116980 1340438249 /nfs/dbraw/zinc/43/82/49/1340438249.db2.gz LPQJKOLJYDNZLF-GDBMZVCRSA-N 1 2 346.475 3.020 20 30 EGEDLO CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001029213506 1340955849 /nfs/dbraw/zinc/95/58/49/1340955849.db2.gz FUHQJLYXBWDZKP-CALCHBBNSA-N 1 2 343.446 3.309 20 30 EGEDLO CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001029213506 1340955850 /nfs/dbraw/zinc/95/58/50/1340955850.db2.gz FUHQJLYXBWDZKP-CALCHBBNSA-N 1 2 343.446 3.309 20 30 EGEDLO O=C(C1C=CC=CC=C1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029325724 1340972401 /nfs/dbraw/zinc/97/24/01/1340972401.db2.gz CBRDQZKWGLCOFS-SZPZYZBQSA-N 1 2 344.458 3.012 20 30 EGEDLO O=C(C1C=CC=CC=C1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029325724 1340972404 /nfs/dbraw/zinc/97/24/04/1340972404.db2.gz CBRDQZKWGLCOFS-SZPZYZBQSA-N 1 2 344.458 3.012 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC(C[N@@H+](C)[C@H](C)c3csnn3)CC2)C1 ZINC001029993939 1341150630 /nfs/dbraw/zinc/15/06/30/1341150630.db2.gz SZELLAWYQHXTJJ-CQSZACIVSA-N 1 2 348.516 3.126 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC(C[N@H+](C)[C@H](C)c3csnn3)CC2)C1 ZINC001029993939 1341150631 /nfs/dbraw/zinc/15/06/31/1341150631.db2.gz SZELLAWYQHXTJJ-CQSZACIVSA-N 1 2 348.516 3.126 20 30 EGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+](Cc2ccc(C(C)C)cc2)C1 ZINC001030333955 1341178931 /nfs/dbraw/zinc/17/89/31/1341178931.db2.gz PMYHIXWAALYJLB-UXHICEINSA-N 1 2 342.483 3.092 20 30 EGEDLO C=C1CCC(C(=O)NC2C[NH+]([C@H](C)c3cccc(OC)c3)C2)CC1 ZINC001030903663 1341246691 /nfs/dbraw/zinc/24/66/91/1341246691.db2.gz QFZDBOSJYFVSIF-OAHLLOKOSA-N 1 2 328.456 3.303 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2[nH]c3ccccc3c2Cl)C1 ZINC001031811239 1341404930 /nfs/dbraw/zinc/40/49/30/1341404930.db2.gz BGTHPBYHWPVYTJ-UHFFFAOYSA-N 1 2 338.238 3.235 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]2c2ccccc2)C1 ZINC001031836753 1341409562 /nfs/dbraw/zinc/40/95/62/1341409562.db2.gz QHRHPJLMUWDQDR-MSOLQXFVSA-N 1 2 332.875 3.371 20 30 EGEDLO CC1(C)CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031906839 1341419472 /nfs/dbraw/zinc/41/94/72/1341419472.db2.gz VBHQQSLZNGDQRH-QGZVFWFLSA-N 1 2 343.446 3.072 20 30 EGEDLO CC(C)c1ccoc1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031920485 1341422586 /nfs/dbraw/zinc/42/25/86/1341422586.db2.gz HNRJOOOAXRWVDM-UHFFFAOYSA-N 1 2 336.435 3.116 20 30 EGEDLO C[C@H]1CCC[C@H](C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)C1 ZINC001031939905 1341427011 /nfs/dbraw/zinc/42/70/11/1341427011.db2.gz VYQBWHCFQHUYTF-LPHOPBHVSA-N 1 2 342.458 3.052 20 30 EGEDLO C=Cc1ccc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)cc1 ZINC001031999347 1341437169 /nfs/dbraw/zinc/43/71/69/1341437169.db2.gz PHSVMBMBKKKSFR-UHFFFAOYSA-N 1 2 330.431 3.043 20 30 EGEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCC2CCCC2)s1 ZINC001032259891 1341484758 /nfs/dbraw/zinc/48/47/58/1341484758.db2.gz VTUJUUDCFPKDNP-HOTGVXAUSA-N 1 2 343.496 3.375 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCC2CCCC2)s1 ZINC001032259891 1341484760 /nfs/dbraw/zinc/48/47/60/1341484760.db2.gz VTUJUUDCFPKDNP-HOTGVXAUSA-N 1 2 343.496 3.375 20 30 EGEDLO Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)ccc1F ZINC001032593628 1341551531 /nfs/dbraw/zinc/55/15/31/1341551531.db2.gz MVMMFONPPKNDNJ-OALUTQOASA-N 1 2 349.409 3.105 20 30 EGEDLO Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)ccc1F ZINC001032593628 1341551532 /nfs/dbraw/zinc/55/15/32/1341551532.db2.gz MVMMFONPPKNDNJ-OALUTQOASA-N 1 2 349.409 3.105 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C)nc1C ZINC001032606422 1341556597 /nfs/dbraw/zinc/55/65/97/1341556597.db2.gz UBWISCNLNYVIBA-BJLQDIEVSA-N 1 2 327.472 3.086 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C)nc1C ZINC001032606422 1341556598 /nfs/dbraw/zinc/55/65/98/1341556598.db2.gz UBWISCNLNYVIBA-BJLQDIEVSA-N 1 2 327.472 3.086 20 30 EGEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2(F)CCCCC2)cc1 ZINC001032714757 1341589184 /nfs/dbraw/zinc/58/91/84/1341589184.db2.gz QXOHGKBKEFBTIN-ROUUACIJSA-N 1 2 341.430 3.016 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2(F)CCCCC2)cc1 ZINC001032714757 1341589186 /nfs/dbraw/zinc/58/91/86/1341589186.db2.gz QXOHGKBKEFBTIN-ROUUACIJSA-N 1 2 341.430 3.016 20 30 EGEDLO CC(C)c1occc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032811355 1341623567 /nfs/dbraw/zinc/62/35/67/1341623567.db2.gz YQFKEGCNBVLZCV-ROUUACIJSA-N 1 2 349.434 3.374 20 30 EGEDLO CC(C)c1occc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032811355 1341623568 /nfs/dbraw/zinc/62/35/68/1341623568.db2.gz YQFKEGCNBVLZCV-ROUUACIJSA-N 1 2 349.434 3.374 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C(C)=C2CCCC2)C1 ZINC001032995585 1341689821 /nfs/dbraw/zinc/68/98/21/1341689821.db2.gz ZPWXZTNZSCBTEX-HNNXBMFYSA-N 1 2 341.293 3.318 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)=C2CCCC2)C1 ZINC001032995585 1341689823 /nfs/dbraw/zinc/68/98/23/1341689823.db2.gz ZPWXZTNZSCBTEX-HNNXBMFYSA-N 1 2 341.293 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc3scnc32)C1 ZINC001033074562 1341716745 /nfs/dbraw/zinc/71/67/45/1341716745.db2.gz BHAFYJXVMVDAJH-GFCCVEGCSA-N 1 2 335.860 3.195 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3scnc32)C1 ZINC001033074562 1341716746 /nfs/dbraw/zinc/71/67/46/1341716746.db2.gz BHAFYJXVMVDAJH-GFCCVEGCSA-N 1 2 335.860 3.195 20 30 EGEDLO CCc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)o1 ZINC001033200803 1341751180 /nfs/dbraw/zinc/75/11/80/1341751180.db2.gz XDJNNBXZQCVYRL-QGZVFWFLSA-N 1 2 337.423 3.060 20 30 EGEDLO CCc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)o1 ZINC001033200803 1341751183 /nfs/dbraw/zinc/75/11/83/1341751183.db2.gz XDJNNBXZQCVYRL-QGZVFWFLSA-N 1 2 337.423 3.060 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001033270153 1341764485 /nfs/dbraw/zinc/76/44/85/1341764485.db2.gz YQRDGQDSEAMQCY-NVXWUHKLSA-N 1 2 336.838 3.141 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001033270153 1341764488 /nfs/dbraw/zinc/76/44/88/1341764488.db2.gz YQRDGQDSEAMQCY-NVXWUHKLSA-N 1 2 336.838 3.141 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC001033309602 1341777014 /nfs/dbraw/zinc/77/70/14/1341777014.db2.gz XQKBEJLWFOVJCX-VIFPVBQESA-N 1 2 336.650 3.220 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC001033309602 1341777016 /nfs/dbraw/zinc/77/70/16/1341777016.db2.gz XQKBEJLWFOVJCX-VIFPVBQESA-N 1 2 336.650 3.220 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C)nc2C2CC2)C1 ZINC001033313793 1341777798 /nfs/dbraw/zinc/77/77/98/1341777798.db2.gz ZNGGJVJNLSDCPC-HNNXBMFYSA-N 1 2 333.863 3.166 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C)nc2C2CC2)C1 ZINC001033313793 1341777799 /nfs/dbraw/zinc/77/77/99/1341777799.db2.gz ZNGGJVJNLSDCPC-HNNXBMFYSA-N 1 2 333.863 3.166 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C2CC3(CCC3)C2)C1 ZINC001033326314 1341781924 /nfs/dbraw/zinc/78/19/24/1341781924.db2.gz LEVDFTAZJNDYOI-AWEZNQCLSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C2CC3(CCC3)C2)C1 ZINC001033326314 1341781925 /nfs/dbraw/zinc/78/19/25/1341781925.db2.gz LEVDFTAZJNDYOI-AWEZNQCLSA-N 1 2 341.293 3.008 20 30 EGEDLO CN(C(=O)C1(C)CCC1)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033332185 1341785006 /nfs/dbraw/zinc/78/50/06/1341785006.db2.gz GWDFYJIFUAAWPM-KRWDZBQOSA-N 1 2 344.886 3.414 20 30 EGEDLO CN(C(=O)C1(C)CCC1)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033332185 1341785008 /nfs/dbraw/zinc/78/50/08/1341785008.db2.gz GWDFYJIFUAAWPM-KRWDZBQOSA-N 1 2 344.886 3.414 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc3cc(OC)ccc3[nH]2)C1 ZINC001033374280 1341801400 /nfs/dbraw/zinc/80/14/00/1341801400.db2.gz VJQUFIDPTLDUHB-CQSZACIVSA-N 1 2 347.846 3.075 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3cc(OC)ccc3[nH]2)C1 ZINC001033374280 1341801403 /nfs/dbraw/zinc/80/14/03/1341801403.db2.gz VJQUFIDPTLDUHB-CQSZACIVSA-N 1 2 347.846 3.075 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2ccc(F)cc2Cl)C1 ZINC001033382049 1341803902 /nfs/dbraw/zinc/80/39/02/1341803902.db2.gz BSDWWOKTOBFXGR-AWEZNQCLSA-N 1 2 345.245 3.307 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc(F)cc2Cl)C1 ZINC001033382049 1341803903 /nfs/dbraw/zinc/80/39/03/1341803903.db2.gz BSDWWOKTOBFXGR-AWEZNQCLSA-N 1 2 345.245 3.307 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH]c3ccc(F)cc23)C1 ZINC001033457168 1341832511 /nfs/dbraw/zinc/83/25/11/1341832511.db2.gz SLCVQRGCWFCIQY-OAHLLOKOSA-N 1 2 349.837 3.135 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH]c3ccc(F)cc23)C1 ZINC001033457168 1341832512 /nfs/dbraw/zinc/83/25/12/1341832512.db2.gz SLCVQRGCWFCIQY-OAHLLOKOSA-N 1 2 349.837 3.135 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ncsc2C(C)C)C1 ZINC001033580480 1341881913 /nfs/dbraw/zinc/88/19/13/1341881913.db2.gz CNBMWRYLTRPLNS-GFCCVEGCSA-N 1 2 327.881 3.165 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ncsc2C(C)C)C1 ZINC001033580480 1341881915 /nfs/dbraw/zinc/88/19/15/1341881915.db2.gz CNBMWRYLTRPLNS-GFCCVEGCSA-N 1 2 327.881 3.165 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(F)c3occc32)C1 ZINC001033671191 1341938767 /nfs/dbraw/zinc/93/87/67/1341938767.db2.gz GBPHFEIZEPSCRY-GFCCVEGCSA-N 1 2 336.794 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(F)c3occc32)C1 ZINC001033671191 1341938770 /nfs/dbraw/zinc/93/87/70/1341938770.db2.gz GBPHFEIZEPSCRY-GFCCVEGCSA-N 1 2 336.794 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2csc(CC(C)C)n2)C1 ZINC001033703486 1341968336 /nfs/dbraw/zinc/96/83/36/1341968336.db2.gz ARVPIEUXQDPOKD-ZDUSSCGKSA-N 1 2 341.908 3.240 20 30 EGEDLO CN(C(=O)c1ccc(F)s1)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033702324 1341967607 /nfs/dbraw/zinc/96/76/07/1341967607.db2.gz PYNWDHXKXZOUAE-NSHDSACASA-N 1 2 349.456 3.167 20 30 EGEDLO CN(C(=O)c1ccc(F)s1)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033702324 1341967609 /nfs/dbraw/zinc/96/76/09/1341967609.db2.gz PYNWDHXKXZOUAE-NSHDSACASA-N 1 2 349.456 3.167 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2csc(CC(C)C)n2)C1 ZINC001033703486 1341968335 /nfs/dbraw/zinc/96/83/35/1341968335.db2.gz ARVPIEUXQDPOKD-ZDUSSCGKSA-N 1 2 341.908 3.240 20 30 EGEDLO CCN(C(=O)c1occc1C)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033742075 1341989417 /nfs/dbraw/zinc/98/94/17/1341989417.db2.gz HOQFFMAKQGHJAJ-GOSISDBHSA-N 1 2 337.423 3.196 20 30 EGEDLO CCN(C(=O)c1occc1C)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033742075 1341989418 /nfs/dbraw/zinc/98/94/18/1341989418.db2.gz HOQFFMAKQGHJAJ-GOSISDBHSA-N 1 2 337.423 3.196 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3nc(C)oc3c2)C1 ZINC001033863478 1342050144 /nfs/dbraw/zinc/05/01/44/1342050144.db2.gz XHEGTROPKZXKGR-HNNXBMFYSA-N 1 2 347.846 3.425 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3nc(C)oc3c2)C1 ZINC001033863478 1342050145 /nfs/dbraw/zinc/05/01/45/1342050145.db2.gz XHEGTROPKZXKGR-HNNXBMFYSA-N 1 2 347.846 3.425 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(OC)cc2F)C1 ZINC001033885270 1342058741 /nfs/dbraw/zinc/05/87/41/1342058741.db2.gz NGCDUXOYTCJUTC-ZDUSSCGKSA-N 1 2 340.826 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(OC)cc2F)C1 ZINC001033885270 1342058743 /nfs/dbraw/zinc/05/87/43/1342058743.db2.gz NGCDUXOYTCJUTC-ZDUSSCGKSA-N 1 2 340.826 3.123 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc3c(cn2)CCCC3)C1 ZINC001033894222 1342066265 /nfs/dbraw/zinc/06/62/65/1342066265.db2.gz WFZGJOHNNUYBFE-QGZVFWFLSA-N 1 2 347.890 3.249 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc3c(cn2)CCCC3)C1 ZINC001033894222 1342066272 /nfs/dbraw/zinc/06/62/72/1342066272.db2.gz WFZGJOHNNUYBFE-QGZVFWFLSA-N 1 2 347.890 3.249 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc3ncccc3o2)C1 ZINC001033899856 1342071369 /nfs/dbraw/zinc/07/13/69/1342071369.db2.gz CORRJOXZXJPXSH-CYBMUJFWSA-N 1 2 333.819 3.117 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc3ncccc3o2)C1 ZINC001033899856 1342071374 /nfs/dbraw/zinc/07/13/74/1342071374.db2.gz CORRJOXZXJPXSH-CYBMUJFWSA-N 1 2 333.819 3.117 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc3ncccc3o2)C1 ZINC001033899858 1342071420 /nfs/dbraw/zinc/07/14/20/1342071420.db2.gz CORRJOXZXJPXSH-ZDUSSCGKSA-N 1 2 333.819 3.117 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc3ncccc3o2)C1 ZINC001033899858 1342071423 /nfs/dbraw/zinc/07/14/23/1342071423.db2.gz CORRJOXZXJPXSH-ZDUSSCGKSA-N 1 2 333.819 3.117 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001033949586 1342108627 /nfs/dbraw/zinc/10/86/27/1342108627.db2.gz FXHMFNJTJOSKNE-QLFBSQMISA-N 1 2 343.309 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001033949586 1342108635 /nfs/dbraw/zinc/10/86/35/1342108635.db2.gz FXHMFNJTJOSKNE-QLFBSQMISA-N 1 2 343.309 3.254 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@H+](Cc3nc(C)oc3C)C2)CC1 ZINC001033951582 1342109847 /nfs/dbraw/zinc/10/98/47/1342109847.db2.gz XIUZIVVBRVRXIB-SFHVURJKSA-N 1 2 345.487 3.461 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](Cc3nc(C)oc3C)C2)CC1 ZINC001033951582 1342109849 /nfs/dbraw/zinc/10/98/49/1342109849.db2.gz XIUZIVVBRVRXIB-SFHVURJKSA-N 1 2 345.487 3.461 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2oc(C3CC3)nc2C)C1 ZINC001033983419 1342129387 /nfs/dbraw/zinc/12/93/87/1342129387.db2.gz CYJITVGAZQPZQH-AWEZNQCLSA-N 1 2 337.851 3.149 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2oc(C3CC3)nc2C)C1 ZINC001033983419 1342129389 /nfs/dbraw/zinc/12/93/89/1342129389.db2.gz CYJITVGAZQPZQH-AWEZNQCLSA-N 1 2 337.851 3.149 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(OC)c(C)c2)C1 ZINC001033991961 1342134856 /nfs/dbraw/zinc/13/48/56/1342134856.db2.gz NRGNVCWQZBDEIG-INIZCTEOSA-N 1 2 336.863 3.293 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(OC)c(C)c2)C1 ZINC001033991961 1342134857 /nfs/dbraw/zinc/13/48/57/1342134857.db2.gz NRGNVCWQZBDEIG-INIZCTEOSA-N 1 2 336.863 3.293 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2csc(Cl)n2)C1 ZINC001034008935 1342147099 /nfs/dbraw/zinc/14/70/99/1342147099.db2.gz IQMMGMCZDNEUBK-SNVBAGLBSA-N 1 2 334.272 3.085 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2csc(Cl)n2)C1 ZINC001034008935 1342147102 /nfs/dbraw/zinc/14/71/02/1342147102.db2.gz IQMMGMCZDNEUBK-SNVBAGLBSA-N 1 2 334.272 3.085 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001034019221 1342156192 /nfs/dbraw/zinc/15/61/92/1342156192.db2.gz SSNCUBDGNNFONI-HNNXBMFYSA-N 1 2 335.879 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001034019221 1342156194 /nfs/dbraw/zinc/15/61/94/1342156194.db2.gz SSNCUBDGNNFONI-HNNXBMFYSA-N 1 2 335.879 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c(c2)CCC3)C1 ZINC001034037754 1342177524 /nfs/dbraw/zinc/17/75/24/1342177524.db2.gz BAYNGEZBBADMGT-GOSISDBHSA-N 1 2 332.875 3.464 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c(c2)CCC3)C1 ZINC001034037754 1342177529 /nfs/dbraw/zinc/17/75/29/1342177529.db2.gz BAYNGEZBBADMGT-GOSISDBHSA-N 1 2 332.875 3.464 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(COC)cc2)C1 ZINC001034037911 1342177818 /nfs/dbraw/zinc/17/78/18/1342177818.db2.gz BTZRQUOVKTUNRK-QGZVFWFLSA-N 1 2 336.863 3.122 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(COC)cc2)C1 ZINC001034037911 1342177823 /nfs/dbraw/zinc/17/78/23/1342177823.db2.gz BTZRQUOVKTUNRK-QGZVFWFLSA-N 1 2 336.863 3.122 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccsc2COC)C1 ZINC001034272116 1342363386 /nfs/dbraw/zinc/36/33/86/1342363386.db2.gz RUHBKFKNXCXMOE-ZDUSSCGKSA-N 1 2 342.892 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccsc2COC)C1 ZINC001034272116 1342363388 /nfs/dbraw/zinc/36/33/88/1342363388.db2.gz RUHBKFKNXCXMOE-ZDUSSCGKSA-N 1 2 342.892 3.231 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccccc2COC)C1 ZINC001034285716 1342373159 /nfs/dbraw/zinc/37/31/59/1342373159.db2.gz FHHZOZDVMHPRCF-INIZCTEOSA-N 1 2 336.863 3.170 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2COC)C1 ZINC001034285716 1342373160 /nfs/dbraw/zinc/37/31/60/1342373160.db2.gz FHHZOZDVMHPRCF-INIZCTEOSA-N 1 2 336.863 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cccc3c2O[C@H](C)C3)C1 ZINC001034314546 1342394031 /nfs/dbraw/zinc/39/40/31/1342394031.db2.gz UKQIZSMCOIOVBU-ZBFHGGJFSA-N 1 2 348.874 3.347 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cccc3c2O[C@H](C)C3)C1 ZINC001034314546 1342394036 /nfs/dbraw/zinc/39/40/36/1342394036.db2.gz UKQIZSMCOIOVBU-ZBFHGGJFSA-N 1 2 348.874 3.347 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@@H+]([C@@H](C)c3nc(C)no3)C2)CC1 ZINC001034383139 1342451400 /nfs/dbraw/zinc/45/14/00/1342451400.db2.gz WFQMRGUAOPJFSD-YOEHRIQHSA-N 1 2 346.475 3.156 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@H+]([C@@H](C)c3nc(C)no3)C2)CC1 ZINC001034383139 1342451403 /nfs/dbraw/zinc/45/14/03/1342451403.db2.gz WFQMRGUAOPJFSD-YOEHRIQHSA-N 1 2 346.475 3.156 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@@H+]([C@@H](C)c3nnc(C)s3)C2)C1 ZINC001034388012 1342457342 /nfs/dbraw/zinc/45/73/42/1342457342.db2.gz AROMEWIRDSTESL-ZFWWWQNUSA-N 1 2 348.516 3.235 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@H+]([C@@H](C)c3nnc(C)s3)C2)C1 ZINC001034388012 1342457344 /nfs/dbraw/zinc/45/73/44/1342457344.db2.gz AROMEWIRDSTESL-ZFWWWQNUSA-N 1 2 348.516 3.235 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2c[nH]nc2C(C)(C)C)C1 ZINC001034485754 1342543344 /nfs/dbraw/zinc/54/33/44/1342543344.db2.gz FHRZRIDWVBHVMF-ZDUSSCGKSA-N 1 2 338.883 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2c[nH]nc2C(C)(C)C)C1 ZINC001034485754 1342543348 /nfs/dbraw/zinc/54/33/48/1342543348.db2.gz FHRZRIDWVBHVMF-ZDUSSCGKSA-N 1 2 338.883 3.044 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC001034521632 1342579334 /nfs/dbraw/zinc/57/93/34/1342579334.db2.gz OMTIGQWBUXFNHJ-OAHLLOKOSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC001034521632 1342579338 /nfs/dbraw/zinc/57/93/38/1342579338.db2.gz OMTIGQWBUXFNHJ-OAHLLOKOSA-N 1 2 328.790 3.302 20 30 EGEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C(C)C)c(Cl)c2)C1 ZINC001035618135 1343103238 /nfs/dbraw/zinc/10/32/38/1343103238.db2.gz DLOGVJWPJGKVJA-OAHLLOKOSA-N 1 2 336.863 3.080 20 30 EGEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(C(C)C)c(Cl)c2)C1 ZINC001035618135 1343103241 /nfs/dbraw/zinc/10/32/41/1343103241.db2.gz DLOGVJWPJGKVJA-OAHLLOKOSA-N 1 2 336.863 3.080 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccc(Cl)o1)CC2 ZINC001035650737 1343121606 /nfs/dbraw/zinc/12/16/06/1343121606.db2.gz QPWDXARRSVPZKU-UHFFFAOYSA-N 1 2 329.227 3.224 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC2(C[NH+](Cc3nc(C)c(C)o3)C2)CC1 ZINC001035782053 1343192636 /nfs/dbraw/zinc/19/26/36/1343192636.db2.gz HEQDSJZACZLJQB-LJQANCHMSA-N 1 2 345.487 3.318 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC2(C[NH+]([C@H](C)c3ncccn3)C2)CC1 ZINC001035785718 1343196557 /nfs/dbraw/zinc/19/65/57/1343196557.db2.gz XCJBFBWAOSHPOT-APWZRJJASA-N 1 2 342.487 3.064 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cccn1C(C)C)CC2 ZINC001035853585 1343230661 /nfs/dbraw/zinc/23/06/61/1343230661.db2.gz XDCUJVSAHHRBMP-UHFFFAOYSA-N 1 2 335.879 3.360 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)CCc1ccc(C)o1)CC2 ZINC001035858487 1343234696 /nfs/dbraw/zinc/23/46/96/1343234696.db2.gz KEGIKGGJARFAKP-UHFFFAOYSA-N 1 2 336.863 3.198 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038146264 1344299494 /nfs/dbraw/zinc/29/94/94/1344299494.db2.gz QLDMQWXFPBITNH-LRDDRELGSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038146264 1344299496 /nfs/dbraw/zinc/29/94/96/1344299496.db2.gz QLDMQWXFPBITNH-LRDDRELGSA-N 1 2 342.830 3.105 20 30 EGEDLO Cc1cccc(C)c1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001038728512 1344554743 /nfs/dbraw/zinc/55/47/43/1344554743.db2.gz LXTKXHFJUSZYLF-HNNXBMFYSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1cccc(C)c1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001038728512 1344554746 /nfs/dbraw/zinc/55/47/46/1344554746.db2.gz LXTKXHFJUSZYLF-HNNXBMFYSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1ccc(F)c(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)c1 ZINC001038748051 1344565395 /nfs/dbraw/zinc/56/53/95/1344565395.db2.gz DSCNPGHJTRFRML-KRWDZBQOSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1ccc(F)c(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)c1 ZINC001038748051 1344565398 /nfs/dbraw/zinc/56/53/98/1344565398.db2.gz DSCNPGHJTRFRML-KRWDZBQOSA-N 1 2 337.398 3.010 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C2CCC2)c1 ZINC001039375204 1345033308 /nfs/dbraw/zinc/03/33/08/1345033308.db2.gz SZWZRQZGHGPCGE-SJORKVTESA-N 1 2 348.878 3.040 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C2CCC2)c1 ZINC001039375204 1345033310 /nfs/dbraw/zinc/03/33/10/1345033310.db2.gz SZWZRQZGHGPCGE-SJORKVTESA-N 1 2 348.878 3.040 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]ccc1C1CC1 ZINC001039384541 1345038595 /nfs/dbraw/zinc/03/85/95/1345038595.db2.gz APQSUFWNFFRNEQ-CABCVRRESA-N 1 2 333.863 3.324 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]ccc1C1CC1 ZINC001039384541 1345038597 /nfs/dbraw/zinc/03/85/97/1345038597.db2.gz APQSUFWNFFRNEQ-CABCVRRESA-N 1 2 333.863 3.324 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1cccnc1 ZINC001039397260 1345045220 /nfs/dbraw/zinc/04/52/20/1345045220.db2.gz ATFRBWLBECUEBW-SJORKVTESA-N 1 2 347.890 3.177 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1cccnc1 ZINC001039397260 1345045222 /nfs/dbraw/zinc/04/52/22/1345045222.db2.gz ATFRBWLBECUEBW-SJORKVTESA-N 1 2 347.890 3.177 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ocnc2C)CC1 ZINC001039892243 1345235482 /nfs/dbraw/zinc/23/54/82/1345235482.db2.gz ZWJQUUYCBGFEAW-HDICACEKSA-N 1 2 343.471 3.295 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ocnc2C)CC1 ZINC001039892243 1345235485 /nfs/dbraw/zinc/23/54/85/1345235485.db2.gz ZWJQUUYCBGFEAW-HDICACEKSA-N 1 2 343.471 3.295 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@H](C)[C@@H](CNc3cc[nH+]c(C)n3)C2)C1 ZINC001039894429 1345237408 /nfs/dbraw/zinc/23/74/08/1345237408.db2.gz YNHPPJUHIKDXSR-HOCLYGCPSA-N 1 2 328.460 3.038 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccnc1 ZINC001039894913 1345237949 /nfs/dbraw/zinc/23/79/49/1345237949.db2.gz FLJVSEMWUGGWCS-WSTZPKSXSA-N 1 2 327.472 3.249 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccnc1 ZINC001039894913 1345237952 /nfs/dbraw/zinc/23/79/52/1345237952.db2.gz FLJVSEMWUGGWCS-WSTZPKSXSA-N 1 2 327.472 3.249 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(CC[N@H+](C/C(Cl)=C/Cl)C2)C1 ZINC001041544505 1345758585 /nfs/dbraw/zinc/75/85/85/1345758585.db2.gz OEAIFTSLTIEJPR-RCBBPTIPSA-N 1 2 331.287 3.442 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(CC[N@@H+](C/C(Cl)=C/Cl)C2)C1 ZINC001041544505 1345758589 /nfs/dbraw/zinc/75/85/89/1345758589.db2.gz OEAIFTSLTIEJPR-RCBBPTIPSA-N 1 2 331.287 3.442 20 30 EGEDLO C=C(C)CC[NH+]1CC(N(C)C(=O)c2snc(Cl)c2Cl)C1 ZINC001042794042 1346117430 /nfs/dbraw/zinc/11/74/30/1346117430.db2.gz WNFPNBATVOQRBV-UHFFFAOYSA-N 1 2 334.272 3.172 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](Cc3cccc(OC(C)C)c3)C2)C1 ZINC001043791252 1346210347 /nfs/dbraw/zinc/21/03/47/1346210347.db2.gz ACUKEBVDMPFJNV-UHFFFAOYSA-N 1 2 342.483 3.473 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+]([C@H]3CCc4c3cccc4F)C2)C1 ZINC001043810252 1346212191 /nfs/dbraw/zinc/21/21/91/1346212191.db2.gz GCPPKKJONRJEJN-SFHVURJKSA-N 1 2 328.431 3.312 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@H]2C[C@H]2C(C)C)CC1 ZINC001045604000 1346641933 /nfs/dbraw/zinc/64/19/33/1346641933.db2.gz MZBKLZUNNCJJIE-KBPBESRZSA-N 1 2 343.309 3.158 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1coc(C2CC2)n1 ZINC001045827630 1346710538 /nfs/dbraw/zinc/71/05/38/1346710538.db2.gz QJLONNCOEJPDIW-SJORKVTESA-N 1 2 343.471 3.330 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1coc(C2CC2)n1 ZINC001045827630 1346710540 /nfs/dbraw/zinc/71/05/40/1346710540.db2.gz QJLONNCOEJPDIW-SJORKVTESA-N 1 2 343.471 3.330 20 30 EGEDLO CC1CC(C(=O)N[C@]2(C)CC[N@H+](CC#Cc3ccccc3Cl)C2)C1 ZINC001046226560 1346899673 /nfs/dbraw/zinc/89/96/73/1346899673.db2.gz JCZBXKWMZMCTNY-MKJPBZQASA-N 1 2 344.886 3.318 20 30 EGEDLO CC1CC(C(=O)N[C@]2(C)CC[N@@H+](CC#Cc3ccccc3Cl)C2)C1 ZINC001046226560 1346899675 /nfs/dbraw/zinc/89/96/75/1346899675.db2.gz JCZBXKWMZMCTNY-MKJPBZQASA-N 1 2 344.886 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2oc(C(F)F)cc2C)C1 ZINC001046384551 1346958013 /nfs/dbraw/zinc/95/80/13/1346958013.db2.gz FREGLKYBQSLPHZ-OAHLLOKOSA-N 1 2 332.778 3.472 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2oc(C(F)F)cc2C)C1 ZINC001046384551 1346958014 /nfs/dbraw/zinc/95/80/14/1346958014.db2.gz FREGLKYBQSLPHZ-OAHLLOKOSA-N 1 2 332.778 3.472 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(Cl)cc2F)C1 ZINC001046460827 1346981278 /nfs/dbraw/zinc/98/12/78/1346981278.db2.gz INLGJQJPEPOEPQ-HNNXBMFYSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(Cl)cc2F)C1 ZINC001046460827 1346981281 /nfs/dbraw/zinc/98/12/81/1346981281.db2.gz INLGJQJPEPOEPQ-HNNXBMFYSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc3ccc(OC)cc3[nH]2)C1 ZINC001046532264 1347007024 /nfs/dbraw/zinc/00/70/24/1347007024.db2.gz VZMLZKWBODOLNO-SFHVURJKSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc3ccc(OC)cc3[nH]2)C1 ZINC001046532264 1347007025 /nfs/dbraw/zinc/00/70/25/1347007025.db2.gz VZMLZKWBODOLNO-SFHVURJKSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C1CCC(C(=O)N[C@]2(C)CC[N@@H+](Cc3csc(C)n3)C2)CC1 ZINC001046596974 1347032373 /nfs/dbraw/zinc/03/23/73/1347032373.db2.gz DIMBDXKYMOKTPK-GOSISDBHSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C1CCC(C(=O)N[C@]2(C)CC[N@H+](Cc3csc(C)n3)C2)CC1 ZINC001046596974 1347032374 /nfs/dbraw/zinc/03/23/74/1347032374.db2.gz DIMBDXKYMOKTPK-GOSISDBHSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2oc(CC(C)C)nc2C)C1 ZINC001046688026 1347062925 /nfs/dbraw/zinc/06/29/25/1347062925.db2.gz MLGYHKOWAYVKOG-KRWDZBQOSA-N 1 2 339.867 3.128 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2oc(CC(C)C)nc2C)C1 ZINC001046688026 1347062927 /nfs/dbraw/zinc/06/29/27/1347062927.db2.gz MLGYHKOWAYVKOG-KRWDZBQOSA-N 1 2 339.867 3.128 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001046698144 1347066333 /nfs/dbraw/zinc/06/63/33/1347066333.db2.gz COHSFTROACNYDO-SCTDSRPQSA-N 1 2 332.875 3.432 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001046698144 1347066331 /nfs/dbraw/zinc/06/63/31/1347066331.db2.gz COHSFTROACNYDO-SCTDSRPQSA-N 1 2 332.875 3.432 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001046811521 1347113660 /nfs/dbraw/zinc/11/36/60/1347113660.db2.gz QKOWSAVUOVGUMU-DOTOQJQBSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001046811521 1347113662 /nfs/dbraw/zinc/11/36/62/1347113662.db2.gz QKOWSAVUOVGUMU-DOTOQJQBSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)C2C(C)(C)C2(C)C)C1 ZINC001046929005 1347155548 /nfs/dbraw/zinc/15/55/48/1347155548.db2.gz NPMKTFBJMKOVCF-GFCCVEGCSA-N 1 2 348.865 3.495 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccccc2C)C1 ZINC001046910966 1347149894 /nfs/dbraw/zinc/14/98/94/1347149894.db2.gz VKUJNXGOGZMBJT-CQSZACIVSA-N 1 2 342.817 3.435 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccccc2C)C1 ZINC001046910966 1347149896 /nfs/dbraw/zinc/14/98/96/1347149896.db2.gz VKUJNXGOGZMBJT-CQSZACIVSA-N 1 2 342.817 3.435 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2C(C)(C)C2(C)C)C1 ZINC001046929005 1347155543 /nfs/dbraw/zinc/15/55/43/1347155543.db2.gz NPMKTFBJMKOVCF-GFCCVEGCSA-N 1 2 348.865 3.495 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc2ncccc2o1 ZINC001049602371 1347931407 /nfs/dbraw/zinc/93/14/07/1347931407.db2.gz MVOIZOTYIWJAPM-CABCVRRESA-N 1 2 345.830 3.259 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc2ncccc2o1 ZINC001049602371 1347931411 /nfs/dbraw/zinc/93/14/11/1347931411.db2.gz MVOIZOTYIWJAPM-CABCVRRESA-N 1 2 345.830 3.259 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3Cc2cscn2)C1 ZINC001049703525 1347981425 /nfs/dbraw/zinc/98/14/25/1347981425.db2.gz SVWQSOXHEZOPCX-HZPDHXFCSA-N 1 2 331.485 3.065 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3Cc2cscn2)C1 ZINC001049703525 1347981427 /nfs/dbraw/zinc/98/14/27/1347981427.db2.gz SVWQSOXHEZOPCX-HZPDHXFCSA-N 1 2 331.485 3.065 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1sccc1C1CC1 ZINC001051235691 1348407531 /nfs/dbraw/zinc/40/75/31/1348407531.db2.gz SIYAWEAINPVNSM-HNNXBMFYSA-N 1 2 334.485 3.022 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1sccc1C1CC1 ZINC001051235691 1348407532 /nfs/dbraw/zinc/40/75/32/1348407532.db2.gz SIYAWEAINPVNSM-HNNXBMFYSA-N 1 2 334.485 3.022 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(F)c(C)cc2F)C1 ZINC001079903430 1357418275 /nfs/dbraw/zinc/41/82/75/1357418275.db2.gz QKSJXPLBMBNRIG-MEBBXXQBSA-N 1 2 328.790 3.076 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(F)c(C)cc2F)C1 ZINC001079903430 1357418276 /nfs/dbraw/zinc/41/82/76/1357418276.db2.gz QKSJXPLBMBNRIG-MEBBXXQBSA-N 1 2 328.790 3.076 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3nnc(C(C)C)o3)CC2)C1 ZINC001052691691 1348634975 /nfs/dbraw/zinc/63/49/75/1348634975.db2.gz WMSFLYMBKTUDKK-OAHLLOKOSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3nnc(C(C)C)o3)CC2)C1 ZINC001052691691 1348634977 /nfs/dbraw/zinc/63/49/77/1348634977.db2.gz WMSFLYMBKTUDKK-OAHLLOKOSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccnc(-c3ccco3)c2)C1 ZINC001079925134 1357425191 /nfs/dbraw/zinc/42/51/91/1357425191.db2.gz PYSAEAPAQJURPJ-MLGOLLRUSA-N 1 2 345.830 3.144 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccnc(-c3ccco3)c2)C1 ZINC001079925134 1357425197 /nfs/dbraw/zinc/42/51/97/1357425197.db2.gz PYSAEAPAQJURPJ-MLGOLLRUSA-N 1 2 345.830 3.144 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@H]1CCCC(C)(C)C1)CCO2 ZINC001053506893 1349050219 /nfs/dbraw/zinc/05/02/19/1349050219.db2.gz UMBVDAXHVZFGRI-QGZVFWFLSA-N 1 2 334.504 3.082 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCC(C)=C(C)C1)O2 ZINC001053605131 1349074344 /nfs/dbraw/zinc/07/43/44/1349074344.db2.gz YPNATICTOSKARB-MSOLQXFVSA-N 1 2 332.488 3.049 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(Cl)cc1C)O2 ZINC001053658222 1349088230 /nfs/dbraw/zinc/08/82/30/1349088230.db2.gz UINTVEHYNQDXJI-MRXNPFEDSA-N 1 2 348.874 3.188 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(C)c(Cl)c1)O2 ZINC001053657889 1349088427 /nfs/dbraw/zinc/08/84/27/1349088427.db2.gz MORFAJVPVOTRRU-INIZCTEOSA-N 1 2 348.874 3.188 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1sccc1C(C)C)O2 ZINC001053700856 1349097957 /nfs/dbraw/zinc/09/79/57/1349097957.db2.gz FZTZTMDSJVAXJX-HNNXBMFYSA-N 1 2 348.512 3.411 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(C(C)C)s1)O2 ZINC001053701473 1349098609 /nfs/dbraw/zinc/09/86/09/1349098609.db2.gz WGFGGHAIZTUPEU-CQSZACIVSA-N 1 2 334.485 3.021 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CCCC(C)(C)C1)CO2 ZINC001053979631 1349127047 /nfs/dbraw/zinc/12/70/47/1349127047.db2.gz UXDPXCGNEGYNKS-DLBZAZTESA-N 1 2 334.504 3.129 20 30 EGEDLO C=C(C)C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cnc(C)s1 ZINC001054035395 1349132269 /nfs/dbraw/zinc/13/22/69/1349132269.db2.gz LQUVWBSNWNEKKV-KRWDZBQOSA-N 1 2 341.480 3.184 20 30 EGEDLO C=C(C)C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cnc(C)s1 ZINC001054035395 1349132272 /nfs/dbraw/zinc/13/22/72/1349132272.db2.gz LQUVWBSNWNEKKV-KRWDZBQOSA-N 1 2 341.480 3.184 20 30 EGEDLO N#Cc1cccc(C[N@H+]2Cc3ccc(CNC(=O)C4CCC4)cc3C2)c1 ZINC001054252219 1349247067 /nfs/dbraw/zinc/24/70/67/1349247067.db2.gz GHLOEOZQRXIUFV-UHFFFAOYSA-N 1 2 345.446 3.490 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2Cc3ccc(CNC(=O)C4CCC4)cc3C2)c1 ZINC001054252219 1349247068 /nfs/dbraw/zinc/24/70/68/1349247068.db2.gz GHLOEOZQRXIUFV-UHFFFAOYSA-N 1 2 345.446 3.490 20 30 EGEDLO C[C@@H]1C[C@@H]1C(=O)NCc1ccc2c(c1)C[N@@H+](Cc1cccc(C#N)c1)C2 ZINC001054254509 1349249941 /nfs/dbraw/zinc/24/99/41/1349249941.db2.gz YXGRRBHTBOLLQP-VFNWGFHPSA-N 1 2 345.446 3.346 20 30 EGEDLO C[C@@H]1C[C@@H]1C(=O)NCc1ccc2c(c1)C[N@H+](Cc1cccc(C#N)c1)C2 ZINC001054254509 1349249945 /nfs/dbraw/zinc/24/99/45/1349249945.db2.gz YXGRRBHTBOLLQP-VFNWGFHPSA-N 1 2 345.446 3.346 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc4cc[nH]c4c3)cc2C1 ZINC001054284462 1349286197 /nfs/dbraw/zinc/28/61/97/1349286197.db2.gz UAYIKDNBHCIQCF-UHFFFAOYSA-N 1 2 329.403 3.047 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc4cc[nH]c4c3)cc2C1 ZINC001054284462 1349286202 /nfs/dbraw/zinc/28/62/02/1349286202.db2.gz UAYIKDNBHCIQCF-UHFFFAOYSA-N 1 2 329.403 3.047 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2C1 ZINC001054284808 1349287096 /nfs/dbraw/zinc/28/70/96/1349287096.db2.gz INXNAHVTVOXYFX-RTWAWAEBSA-N 1 2 330.431 3.055 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2C1 ZINC001054284808 1349287099 /nfs/dbraw/zinc/28/70/99/1349287099.db2.gz INXNAHVTVOXYFX-RTWAWAEBSA-N 1 2 330.431 3.055 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001057014315 1349974458 /nfs/dbraw/zinc/97/44/58/1349974458.db2.gz LLQATHBVHWLGEM-VQIMIIECSA-N 1 2 330.476 3.041 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2CCN(c3nc(C)[nH+]c(C)c3C)CC2)C1 ZINC001058085177 1350206235 /nfs/dbraw/zinc/20/62/35/1350206235.db2.gz XLYPERSOLYXZKN-UHFFFAOYSA-N 1 2 342.487 3.185 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001080356805 1357582589 /nfs/dbraw/zinc/58/25/89/1357582589.db2.gz LLTGKMHKMVTDAB-YMTOWFKASA-N 1 2 331.218 3.282 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001080356805 1357582591 /nfs/dbraw/zinc/58/25/91/1357582591.db2.gz LLTGKMHKMVTDAB-YMTOWFKASA-N 1 2 331.218 3.282 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@H](Nc3cc[nH+]c(C)n3)[C@@H](CC)C2)C1 ZINC001064415657 1352574053 /nfs/dbraw/zinc/57/40/53/1352574053.db2.gz XXKSDLHCTMXTCZ-HOTGVXAUSA-N 1 2 328.460 3.180 20 30 EGEDLO CC(C)c1cc(NC[C@@H]2CCCN2C(=O)[C@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001064871081 1352708696 /nfs/dbraw/zinc/70/86/96/1352708696.db2.gz MXRKWCLZMXWUFN-CABCVRRESA-N 1 2 343.475 3.286 20 30 EGEDLO C=Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC(=C)Br)C[C@H]2C)cc1 ZINC001080489895 1357641395 /nfs/dbraw/zinc/64/13/95/1357641395.db2.gz CWUSBYKHJYGFKV-MLGOLLRUSA-N 1 2 349.272 3.288 20 30 EGEDLO C=Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC(=C)Br)C[C@H]2C)cc1 ZINC001080489895 1357641397 /nfs/dbraw/zinc/64/13/97/1357641397.db2.gz CWUSBYKHJYGFKV-MLGOLLRUSA-N 1 2 349.272 3.288 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@H]([C@H](C)Nc3cc[nH+]c(C)n3)C2)CC1 ZINC001065760664 1352852152 /nfs/dbraw/zinc/85/21/52/1352852152.db2.gz BBJCSXVFVNXTRW-YOEHRIQHSA-N 1 2 328.460 3.180 20 30 EGEDLO C=CCCC(=O)N1CCC[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001066382202 1353077869 /nfs/dbraw/zinc/07/78/69/1353077869.db2.gz AWGJQCRGZRNGBW-QGZVFWFLSA-N 1 2 343.471 3.084 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001067784921 1353521200 /nfs/dbraw/zinc/52/12/00/1353521200.db2.gz BUXGIULWNGQZMK-KRWDZBQOSA-N 1 2 344.503 3.431 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(Cl)ccc2C)C1 ZINC001080640998 1357714228 /nfs/dbraw/zinc/71/42/28/1357714228.db2.gz PPOVBENJTIOGKI-IAQYHMDHSA-N 1 2 327.255 3.451 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(Cl)ccc2C)C1 ZINC001080640998 1357714230 /nfs/dbraw/zinc/71/42/30/1357714230.db2.gz PPOVBENJTIOGKI-IAQYHMDHSA-N 1 2 327.255 3.451 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(N3CCCC3)c2)C1 ZINC001080668870 1357720008 /nfs/dbraw/zinc/72/00/08/1357720008.db2.gz WOKGIYVPJNMTKO-RDTXWAMCSA-N 1 2 347.890 3.089 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(N3CCCC3)c2)C1 ZINC001080668870 1357720024 /nfs/dbraw/zinc/72/00/24/1357720024.db2.gz WOKGIYVPJNMTKO-RDTXWAMCSA-N 1 2 347.890 3.089 20 30 EGEDLO Cc1cccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)c1 ZINC001085465563 1358519907 /nfs/dbraw/zinc/51/99/07/1358519907.db2.gz DVYDXZCZQBTPSF-INIZCTEOSA-N 1 2 339.464 3.275 20 30 EGEDLO Cc1cccc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)c1 ZINC001085465563 1358519909 /nfs/dbraw/zinc/51/99/09/1358519909.db2.gz DVYDXZCZQBTPSF-INIZCTEOSA-N 1 2 339.464 3.275 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)C(C)(C)C(=C)C)C[C@H](C)O2 ZINC001071199668 1354500083 /nfs/dbraw/zinc/50/00/83/1354500083.db2.gz ONDMBWCOAMTDNE-YJBOKZPZSA-N 1 2 340.895 3.033 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C(C)(C)C(=C)C)C[C@H](C)O2 ZINC001071199668 1354500087 /nfs/dbraw/zinc/50/00/87/1354500087.db2.gz ONDMBWCOAMTDNE-YJBOKZPZSA-N 1 2 340.895 3.033 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)C1(CC)CCC1)C[C@@H](C)O2 ZINC001071198547 1354500265 /nfs/dbraw/zinc/50/02/65/1354500265.db2.gz ADEWDOHWFTUSNJ-QAPCUYQASA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C1(CC)CCC1)C[C@@H](C)O2 ZINC001071198547 1354500268 /nfs/dbraw/zinc/50/02/68/1354500268.db2.gz ADEWDOHWFTUSNJ-QAPCUYQASA-N 1 2 340.895 3.011 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001071208382 1354505718 /nfs/dbraw/zinc/50/57/18/1354505718.db2.gz HHSMKLKMBBVPRI-QGZVFWFLSA-N 1 2 343.471 3.084 20 30 EGEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2c(cccc2F)s1 ZINC001085962445 1358920802 /nfs/dbraw/zinc/92/08/02/1358920802.db2.gz GSIOZCAQGNRKEQ-ZDUSSCGKSA-N 1 2 330.428 3.210 20 30 EGEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2c(cccc2F)s1 ZINC001085962445 1358920803 /nfs/dbraw/zinc/92/08/03/1358920803.db2.gz GSIOZCAQGNRKEQ-ZDUSSCGKSA-N 1 2 330.428 3.210 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)C2CCCC2)CC[C@H]1C ZINC001071294725 1354546629 /nfs/dbraw/zinc/54/66/29/1354546629.db2.gz XCNOVJZVSRMDTP-OCCSQVGLSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)C2CCCC2)CC[C@H]1C ZINC001071294725 1354546633 /nfs/dbraw/zinc/54/66/33/1354546633.db2.gz XCNOVJZVSRMDTP-OCCSQVGLSA-N 1 2 329.282 3.054 20 30 EGEDLO C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C(F)C(F)(F)F)C2)CC1 ZINC001086924333 1359249633 /nfs/dbraw/zinc/24/96/33/1359249633.db2.gz PPOCFEWLYGPPPF-QWHCGFSZSA-N 1 2 336.373 3.166 20 30 EGEDLO C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](F)C(F)(F)F)C2)CC1 ZINC001086924333 1359249639 /nfs/dbraw/zinc/24/96/39/1359249639.db2.gz PPOCFEWLYGPPPF-QWHCGFSZSA-N 1 2 336.373 3.166 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc3nc(C)oc3c2)CC[C@@H]1C ZINC001071579254 1354776830 /nfs/dbraw/zinc/77/68/30/1354776830.db2.gz BEVUKLWTLLVQRP-WFASDCNBSA-N 1 2 347.846 3.471 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc3nc(C)oc3c2)CC[C@@H]1C ZINC001071579254 1354776834 /nfs/dbraw/zinc/77/68/34/1354776834.db2.gz BEVUKLWTLLVQRP-WFASDCNBSA-N 1 2 347.846 3.471 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C(C)(C)c2cccnc2)CC[C@H]1C ZINC001071630950 1354813716 /nfs/dbraw/zinc/81/37/16/1354813716.db2.gz FXNLLOZVGACXMU-ZBFHGGJFSA-N 1 2 335.879 3.081 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)c2cccnc2)CC[C@H]1C ZINC001071630950 1354813724 /nfs/dbraw/zinc/81/37/24/1354813724.db2.gz FXNLLOZVGACXMU-ZBFHGGJFSA-N 1 2 335.879 3.081 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc(C)ccc2OC)CC[C@H]1C ZINC001071658618 1354831716 /nfs/dbraw/zinc/83/17/16/1354831716.db2.gz FRWFMMCKVWOHRI-HUUCEWRRSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc(C)ccc2OC)CC[C@H]1C ZINC001071658618 1354831721 /nfs/dbraw/zinc/83/17/21/1354831721.db2.gz FRWFMMCKVWOHRI-HUUCEWRRSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc(C)c(OC)c2)CC[C@H]1C ZINC001071664055 1354836206 /nfs/dbraw/zinc/83/62/06/1354836206.db2.gz XGPNZVOOOMKLDY-GDBMZVCRSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc(C)c(OC)c2)CC[C@H]1C ZINC001071664055 1354836211 /nfs/dbraw/zinc/83/62/11/1354836211.db2.gz XGPNZVOOOMKLDY-GDBMZVCRSA-N 1 2 336.863 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C(C)(C)C2CCOCC2)CC[C@@H]1C ZINC001071665796 1354837716 /nfs/dbraw/zinc/83/77/16/1354837716.db2.gz IDUZEFDXPMFOKF-GOEBONIOSA-N 1 2 342.911 3.161 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C(C)(C)C2CCOCC2)CC[C@@H]1C ZINC001071665796 1354837719 /nfs/dbraw/zinc/83/77/19/1354837719.db2.gz IDUZEFDXPMFOKF-GOEBONIOSA-N 1 2 342.911 3.161 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3ncc(C)s3)C2)C1 ZINC001071807443 1354952431 /nfs/dbraw/zinc/95/24/31/1354952431.db2.gz SDODNIGNTXJULQ-DZGCQCFKSA-N 1 2 333.501 3.277 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3ncc(C)s3)C2)C1 ZINC001071807443 1354952432 /nfs/dbraw/zinc/95/24/32/1354952432.db2.gz SDODNIGNTXJULQ-DZGCQCFKSA-N 1 2 333.501 3.277 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc3c(c2)COC3)CC[C@@H]1C ZINC001071886642 1355006703 /nfs/dbraw/zinc/00/67/03/1355006703.db2.gz HMZHBSBHMJKVNO-SUMWQHHRSA-N 1 2 334.847 3.052 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc3c(c2)COC3)CC[C@@H]1C ZINC001071886642 1355006707 /nfs/dbraw/zinc/00/67/07/1355006707.db2.gz HMZHBSBHMJKVNO-SUMWQHHRSA-N 1 2 334.847 3.052 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ncccc2Cl)CC[C@@H]1C ZINC001072008329 1355072589 /nfs/dbraw/zinc/07/25/89/1355072589.db2.gz DPZLKHSQEBTBAZ-RYUDHWBXSA-N 1 2 328.243 3.070 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ncccc2Cl)CC[C@@H]1C ZINC001072008329 1355072590 /nfs/dbraw/zinc/07/25/90/1355072590.db2.gz DPZLKHSQEBTBAZ-RYUDHWBXSA-N 1 2 328.243 3.070 20 30 EGEDLO CCCCCCCCCC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]21 ZINC001093260715 1361555550 /nfs/dbraw/zinc/55/55/50/1361555550.db2.gz PARQKHPGIOKOFP-YRWFTTLQSA-N 1 2 344.503 3.477 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nnc(C)s1)C2 ZINC001072944811 1355512458 /nfs/dbraw/zinc/51/24/58/1355512458.db2.gz LSSGIBKGIYVUBL-SUMWQHHRSA-N 1 2 348.516 3.044 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nnc(C)s1)C2 ZINC001072944811 1355512460 /nfs/dbraw/zinc/51/24/60/1355512460.db2.gz LSSGIBKGIYVUBL-SUMWQHHRSA-N 1 2 348.516 3.044 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[N@H+](Cc1coc(C3CC3)n1)C2 ZINC001072951768 1355518324 /nfs/dbraw/zinc/51/83/24/1355518324.db2.gz UYKHLHGWKNNINL-IBGZPJMESA-N 1 2 343.471 3.189 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+](Cc1coc(C3CC3)n1)C2 ZINC001072951768 1355518330 /nfs/dbraw/zinc/51/83/30/1355518330.db2.gz UYKHLHGWKNNINL-IBGZPJMESA-N 1 2 343.471 3.189 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(Cl)cc3C)C[C@@H]21 ZINC001074332071 1356172152 /nfs/dbraw/zinc/17/21/52/1356172152.db2.gz QTKITLFEALJRNQ-ZWKOTPCHSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(Cl)cc3C)C[C@@H]21 ZINC001074332071 1356172154 /nfs/dbraw/zinc/17/21/54/1356172154.db2.gz QTKITLFEALJRNQ-ZWKOTPCHSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)[C@@H]2C1 ZINC001076114889 1356494224 /nfs/dbraw/zinc/49/42/24/1356494224.db2.gz NTIWJQZXQNSEID-YVEFUNNKSA-N 1 2 347.821 3.206 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)[C@@H]2C1 ZINC001076114889 1356494227 /nfs/dbraw/zinc/49/42/27/1356494227.db2.gz NTIWJQZXQNSEID-YVEFUNNKSA-N 1 2 347.821 3.206 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3csc(C(C)C)n3)[C@@H]2C1 ZINC001076365541 1356559966 /nfs/dbraw/zinc/55/99/66/1356559966.db2.gz CHCWFNLECHECSP-GXTWGEPZSA-N 1 2 339.892 3.165 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3csc(C(C)C)n3)[C@@H]2C1 ZINC001076365541 1356559968 /nfs/dbraw/zinc/55/99/68/1356559968.db2.gz CHCWFNLECHECSP-GXTWGEPZSA-N 1 2 339.892 3.165 20 30 EGEDLO C=CCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nc(C)c(C)o1 ZINC001098949583 1363536572 /nfs/dbraw/zinc/53/65/72/1363536572.db2.gz XWISCMPHVKDHMC-INIZCTEOSA-N 1 2 333.476 3.364 20 30 EGEDLO C=CCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nc(C)c(C)o1 ZINC001098949583 1363536575 /nfs/dbraw/zinc/53/65/75/1363536575.db2.gz XWISCMPHVKDHMC-INIZCTEOSA-N 1 2 333.476 3.364 20 30 EGEDLO N#Cc1ccccc1C1(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001183285749 1387291254 /nfs/dbraw/zinc/29/12/54/1387291254.db2.gz JBIGHVUZDVGTEX-UHFFFAOYSA-N 1 2 328.375 3.414 20 30 EGEDLO CC(C)=CC(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001084168291 1358152319 /nfs/dbraw/zinc/15/23/19/1358152319.db2.gz YZCKMCLKNKKKQW-IEBWSBKVSA-N 1 2 342.870 3.190 20 30 EGEDLO CC(C)=CC(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001084168291 1358152323 /nfs/dbraw/zinc/15/23/23/1358152323.db2.gz YZCKMCLKNKKKQW-IEBWSBKVSA-N 1 2 342.870 3.190 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(c4ccccc4)CCC3)[C@@H]2C1 ZINC001084500593 1358226806 /nfs/dbraw/zinc/22/68/06/1358226806.db2.gz UZQCPNQZSQRNSA-SJLPKXTDSA-N 1 2 344.886 3.394 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3(c4ccccc4)CCC3)[C@@H]2C1 ZINC001084500593 1358226807 /nfs/dbraw/zinc/22/68/07/1358226807.db2.gz UZQCPNQZSQRNSA-SJLPKXTDSA-N 1 2 344.886 3.394 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCC3(F)F)[C@@H]2C1 ZINC001084547119 1358235279 /nfs/dbraw/zinc/23/52/79/1358235279.db2.gz RWZIOFACPZIAEY-HZSPNIEDSA-N 1 2 332.822 3.097 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCC3(F)F)[C@@H]2C1 ZINC001084547119 1358235281 /nfs/dbraw/zinc/23/52/81/1358235281.db2.gz RWZIOFACPZIAEY-HZSPNIEDSA-N 1 2 332.822 3.097 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084574024 1358241519 /nfs/dbraw/zinc/24/15/19/1358241519.db2.gz MLDPIOGRFMLFSJ-RTBURBONSA-N 1 2 337.467 3.193 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084574024 1358241521 /nfs/dbraw/zinc/24/15/21/1358241521.db2.gz MLDPIOGRFMLFSJ-RTBURBONSA-N 1 2 337.467 3.193 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C[C@H]21 ZINC001084578214 1358242509 /nfs/dbraw/zinc/24/25/09/1358242509.db2.gz PYMNOGNAJHOSGJ-RHSMWYFYSA-N 1 2 334.410 3.210 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]21 ZINC001084578214 1358242511 /nfs/dbraw/zinc/24/25/11/1358242511.db2.gz PYMNOGNAJHOSGJ-RHSMWYFYSA-N 1 2 334.410 3.210 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@]34C[C@@H]3CCCC4)[C@@H]2C1 ZINC001084644488 1358267117 /nfs/dbraw/zinc/26/71/17/1358267117.db2.gz TUHYBITVOICBDF-DYQZNNLLSA-N 1 2 349.478 3.171 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]34C[C@@H]3CCCC4)[C@@H]2C1 ZINC001084644488 1358267119 /nfs/dbraw/zinc/26/71/19/1358267119.db2.gz TUHYBITVOICBDF-DYQZNNLLSA-N 1 2 349.478 3.171 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4sccc4[nH]3)[C@@H]2C1 ZINC001084755961 1358301433 /nfs/dbraw/zinc/30/14/33/1358301433.db2.gz YOVFEBUZQUGXDL-BXUZGUMPSA-N 1 2 335.860 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1362121558 /nfs/dbraw/zinc/12/15/58/1362121558.db2.gz QTEBUOHMMCLGST-QYZOEREBSA-N 1 2 349.434 3.303 20 30 EGEDLO Cc1coc(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001095379565 1362121560 /nfs/dbraw/zinc/12/15/60/1362121560.db2.gz QTEBUOHMMCLGST-QYZOEREBSA-N 1 2 349.434 3.303 20 30 EGEDLO C=C1CCC(C(=O)NCCCN(C)c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095719895 1362211760 /nfs/dbraw/zinc/21/17/60/1362211760.db2.gz DCXHEUKVEVNIHL-UHFFFAOYSA-N 1 2 342.487 3.351 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC=C(Cl)Cl)C1 ZINC001095985117 1362323214 /nfs/dbraw/zinc/32/32/14/1362323214.db2.gz XRCFTLKMTCLWTN-AGIUHOORSA-N 1 2 329.271 3.383 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC=C(Cl)Cl)C1 ZINC001095985117 1362323217 /nfs/dbraw/zinc/32/32/17/1362323217.db2.gz XRCFTLKMTCLWTN-AGIUHOORSA-N 1 2 329.271 3.383 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC12CCN(c1nc(C)[nH+]c(C)c1C)CC2 ZINC001096529062 1362556901 /nfs/dbraw/zinc/55/69/01/1362556901.db2.gz HMJAUOVWYIHDAS-MRXNPFEDSA-N 1 2 342.487 3.089 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC12CCN(c1nc(C)[nH+]c(C)c1C)CC2 ZINC001096529061 1362557035 /nfs/dbraw/zinc/55/70/35/1362557035.db2.gz HMJAUOVWYIHDAS-INIZCTEOSA-N 1 2 342.487 3.089 20 30 EGEDLO C#CCCCC(=O)NC[C@@H](Nc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001096637194 1362610324 /nfs/dbraw/zinc/61/03/24/1362610324.db2.gz NIMLSNLCXAYXJX-MRXNPFEDSA-N 1 2 328.460 3.019 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCCCC1)C2 ZINC001096741473 1362682026 /nfs/dbraw/zinc/68/20/26/1362682026.db2.gz JWRUEHRIDGGBTK-AQNXPRMDSA-N 1 2 337.467 3.360 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCCCC1)C2 ZINC001096741473 1362682029 /nfs/dbraw/zinc/68/20/29/1362682029.db2.gz JWRUEHRIDGGBTK-AQNXPRMDSA-N 1 2 337.467 3.360 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@H](CN(C)c2cc[nH+]c(C)n2)C1 ZINC001096875094 1362762699 /nfs/dbraw/zinc/76/26/99/1362762699.db2.gz GPFHBYYSENWNGO-DOTOQJQBSA-N 1 2 330.476 3.062 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001097089145 1362838684 /nfs/dbraw/zinc/83/86/84/1362838684.db2.gz QFFGFTKQWSRDAC-BZUAXINKSA-N 1 2 342.487 3.325 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3oc(C)nc3c1)C2 ZINC001097300142 1362918891 /nfs/dbraw/zinc/91/88/91/1362918891.db2.gz ISSNSLLIVMXXPZ-FMKPAKJESA-N 1 2 345.830 3.224 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3oc(C)nc3c1)C2 ZINC001097300142 1362918894 /nfs/dbraw/zinc/91/88/94/1362918894.db2.gz ISSNSLLIVMXXPZ-FMKPAKJESA-N 1 2 345.830 3.224 20 30 EGEDLO C#CCCCC(=O)N1CCC[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097366159 1362954114 /nfs/dbraw/zinc/95/41/14/1362954114.db2.gz LWBPTNCCHCZDDF-MRXNPFEDSA-N 1 2 340.471 3.116 20 30 EGEDLO C=CCCC1(C(=O)N2CCC[C@@H](CNc3cc[nH+]c(C)n3)C2)CC1 ZINC001097382955 1362963684 /nfs/dbraw/zinc/96/36/84/1362963684.db2.gz YUXIKHTWHQIESJ-INIZCTEOSA-N 1 2 328.460 3.182 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ncc(C)s2)CC1 ZINC001097789005 1363121754 /nfs/dbraw/zinc/12/17/54/1363121754.db2.gz NJFIMPQPZFNMBF-ZACQAIPSSA-N 1 2 345.512 3.419 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ncc(C)s2)CC1 ZINC001097789005 1363121757 /nfs/dbraw/zinc/12/17/57/1363121757.db2.gz NJFIMPQPZFNMBF-ZACQAIPSSA-N 1 2 345.512 3.419 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ncoc2C(C)C)C1 ZINC001097805380 1363125402 /nfs/dbraw/zinc/12/54/02/1363125402.db2.gz MMTFAMAFXCKRAF-INMHGKMJSA-N 1 2 343.471 3.376 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ncoc2C(C)C)C1 ZINC001097805380 1363125404 /nfs/dbraw/zinc/12/54/04/1363125404.db2.gz MMTFAMAFXCKRAF-INMHGKMJSA-N 1 2 343.471 3.376 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001098174424 1363244283 /nfs/dbraw/zinc/24/42/83/1363244283.db2.gz ZOEWMPMQQBIKOS-BEFAXECRSA-N 1 2 348.491 3.054 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001098245022 1363267995 /nfs/dbraw/zinc/26/79/95/1363267995.db2.gz WSRRSSKAFZSBTK-ORAYPTAESA-N 1 2 330.476 3.183 20 30 EGEDLO Cc1cc(N[C@H]2CCC[C@H](NC(=O)C#CC3CC3)C2)nc(C(C)C)[nH+]1 ZINC001098621758 1363403082 /nfs/dbraw/zinc/40/30/82/1363403082.db2.gz VQKKFSAVKRJTIA-IRXDYDNUSA-N 1 2 340.471 3.161 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ccon1 ZINC001099193417 1363684471 /nfs/dbraw/zinc/68/44/71/1363684471.db2.gz BHVCKXZWXNXUFV-RDJZCZTQSA-N 1 2 333.476 3.384 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ccon1 ZINC001099193417 1363684474 /nfs/dbraw/zinc/68/44/74/1363684474.db2.gz BHVCKXZWXNXUFV-RDJZCZTQSA-N 1 2 333.476 3.384 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nccn1C ZINC001099213162 1363694377 /nfs/dbraw/zinc/69/43/77/1363694377.db2.gz ADNRWHOKVKGADZ-UZLBHIALSA-N 1 2 346.519 3.129 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nccn1C ZINC001099213162 1363694379 /nfs/dbraw/zinc/69/43/79/1363694379.db2.gz ADNRWHOKVKGADZ-UZLBHIALSA-N 1 2 346.519 3.129 20 30 EGEDLO C=CCC(CC=C)C(=O)NCCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001100168886 1364034679 /nfs/dbraw/zinc/03/46/79/1364034679.db2.gz VWMZVQAFAJGVDD-UHFFFAOYSA-N 1 2 330.476 3.229 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nc(CCCC)no2)C1 ZINC001185280092 1387666784 /nfs/dbraw/zinc/66/67/84/1387666784.db2.gz FTCBGZCMLMMYOK-LSDHHAIUSA-N 1 2 334.464 3.020 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCN(CC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001100691313 1364220349 /nfs/dbraw/zinc/22/03/49/1364220349.db2.gz NORQMAOFFOAZKS-ZBFHGGJFSA-N 1 2 332.492 3.309 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1CCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001100895711 1364318708 /nfs/dbraw/zinc/31/87/08/1364318708.db2.gz OWSBETHAMJMUGM-WBVHZDCISA-N 1 2 342.487 3.350 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCCN(CCC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001101223355 1364471575 /nfs/dbraw/zinc/47/15/75/1364471575.db2.gz CGXZPUXJENPSNE-HOCLYGCPSA-N 1 2 344.503 3.453 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCN(CCC)c1nc(C)[nH+]c(C)c1C ZINC001101223011 1364471928 /nfs/dbraw/zinc/47/19/28/1364471928.db2.gz YJUZHDQYPIWMRX-CQSZACIVSA-N 1 2 332.492 3.337 20 30 EGEDLO C=CCC(CC=C)C(=O)NCCN(c1nc(C)[nH+]c(C)c1C)C1CC1 ZINC001101392225 1364542755 /nfs/dbraw/zinc/54/27/55/1364542755.db2.gz KUZLWQFTYAAHQM-UHFFFAOYSA-N 1 2 342.487 3.255 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCN(c1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001101454455 1364570132 /nfs/dbraw/zinc/57/01/32/1364570132.db2.gz CBOIMFOVOOXFDI-UHFFFAOYSA-N 1 2 342.487 3.350 20 30 EGEDLO C#CCCCC(=O)N(C)CCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001101584379 1364636139 /nfs/dbraw/zinc/63/61/39/1364636139.db2.gz APJHFTNOUBSKES-UHFFFAOYSA-N 1 2 330.476 3.397 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H](C)CC(C)(C)C)c1nccn12 ZINC001101645119 1364667922 /nfs/dbraw/zinc/66/79/22/1364667922.db2.gz XXTPFBFNOCPNLD-HZPDHXFCSA-N 1 2 344.503 3.103 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H](C)CCCCC)c1nccn12 ZINC001101646759 1364669286 /nfs/dbraw/zinc/66/92/86/1364669286.db2.gz WKMZTRMSHBVHHM-IAGOWNOFSA-N 1 2 344.503 3.248 20 30 EGEDLO C#CCCCCCC(=O)N(C)CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001101901742 1364768722 /nfs/dbraw/zinc/76/87/22/1364768722.db2.gz PANNZBKKSIRMDV-UHFFFAOYSA-N 1 2 330.476 3.362 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@@H]1C[N@H+]([C@@H](C)c2csnn2)C[C@H]1C ZINC001101997726 1364804118 /nfs/dbraw/zinc/80/41/18/1364804118.db2.gz FRXHVSJAGSYVPP-IJEWVQPXSA-N 1 2 348.516 3.052 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@@H]1C[N@@H+]([C@@H](C)c2csnn2)C[C@H]1C ZINC001101997726 1364804121 /nfs/dbraw/zinc/80/41/21/1364804121.db2.gz FRXHVSJAGSYVPP-IJEWVQPXSA-N 1 2 348.516 3.052 20 30 EGEDLO CC#CCCCC(=O)N1CCC([C@H](C)Nc2cc[nH+]c(C)n2)CC1 ZINC001102068981 1364835307 /nfs/dbraw/zinc/83/53/07/1364835307.db2.gz VNMLGOWLURUIIG-HNNXBMFYSA-N 1 2 328.460 3.018 20 30 EGEDLO Cc1cc(N[C@H](CNC(=O)[C@H](C)C#N)c2ccccc2)nc(C2CC2)[nH+]1 ZINC001102163311 1364902964 /nfs/dbraw/zinc/90/29/64/1364902964.db2.gz AQLJMTHGODTWSL-CXAGYDPISA-N 1 2 349.438 3.092 20 30 EGEDLO C#CCCCCCC(=O)N(C)[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102754821 1365203650 /nfs/dbraw/zinc/20/36/50/1365203650.db2.gz WFAUHHLTFNXQHK-GOSISDBHSA-N 1 2 342.487 3.023 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CCCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102883862 1365272308 /nfs/dbraw/zinc/27/23/08/1365272308.db2.gz FMLLHPRTWDQHMO-QGZVFWFLSA-N 1 2 330.476 3.233 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CCCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102884189 1365272672 /nfs/dbraw/zinc/27/26/72/1365272672.db2.gz MNNJTKKZBZVVRH-FXAWDEMLSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCC[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001102943580 1365308037 /nfs/dbraw/zinc/30/80/37/1365308037.db2.gz ZCBVQPINRJLZMJ-DOTOQJQBSA-N 1 2 330.476 3.110 20 30 EGEDLO CC[C@@H](CNC(=O)C#CC(C)(C)C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001103055096 1365357781 /nfs/dbraw/zinc/35/77/81/1365357781.db2.gz SMEFBNDKAABDFJ-HNNXBMFYSA-N 1 2 328.460 3.019 20 30 EGEDLO CC[C@H](CNC(=O)C#CC(C)(C)C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001103055097 1365358099 /nfs/dbraw/zinc/35/80/99/1365358099.db2.gz SMEFBNDKAABDFJ-OAHLLOKOSA-N 1 2 328.460 3.019 20 30 EGEDLO C#CCCCC(=O)N[C@]1(CNc2cc[nH+]c(C)n2)CCCC[C@@H]1C ZINC001103599366 1365665451 /nfs/dbraw/zinc/66/54/51/1365665451.db2.gz LRKITSYTJMGKAG-KXBFYZLASA-N 1 2 328.460 3.066 20 30 EGEDLO C=CCC1(C(=O)NCCC2CCN(c3cc[nH+]c(C)n3)CC2)CCC1 ZINC001103700489 1365738695 /nfs/dbraw/zinc/73/86/95/1365738695.db2.gz SGCMSSVKDAAGSD-UHFFFAOYSA-N 1 2 342.487 3.254 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H](C)CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001104212218 1365953704 /nfs/dbraw/zinc/95/37/04/1365953704.db2.gz YOJPIKJHQWDHTJ-CQSZACIVSA-N 1 2 342.487 3.184 20 30 EGEDLO C=C[C@H](CC(=O)N(C)[C@@H](C)CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001104589267 1366090386 /nfs/dbraw/zinc/09/03/86/1366090386.db2.gz ZHSHENBEDYIELH-DOTOQJQBSA-N 1 2 338.455 3.404 20 30 EGEDLO C=CCCCC(=O)N(C)[C@@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104785581 1366171676 /nfs/dbraw/zinc/17/16/76/1366171676.db2.gz XIDOBAXABSINCQ-AWEZNQCLSA-N 1 2 330.476 3.279 20 30 EGEDLO C#CCCCC(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)[C@@H](C)C1 ZINC001105032447 1366285813 /nfs/dbraw/zinc/28/58/13/1366285813.db2.gz AKEVJBUKVBRBEE-RDJZCZTQSA-N 1 2 342.487 3.361 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[C@H](C)[C@H]1CNc1cc[nH+]c(C)n1 ZINC001105097021 1366325340 /nfs/dbraw/zinc/32/53/40/1366325340.db2.gz KGXXJGPQQPYFRV-FUHWJXTLSA-N 1 2 342.487 3.408 20 30 EGEDLO C#CCCCCCC(=O)N(C)CCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001105536392 1366516294 /nfs/dbraw/zinc/51/62/94/1366516294.db2.gz ZRDIMVSOGQDOMI-UHFFFAOYSA-N 1 2 344.503 3.387 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N(C)CCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001105547449 1366523278 /nfs/dbraw/zinc/52/32/78/1366523278.db2.gz QHXSDAFDHBIONH-FQEVSTJZSA-N 1 2 344.503 3.161 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]2[C@@H](CCN2c2nc(C)[nH+]c(C)c2C)C1 ZINC001105630414 1366552660 /nfs/dbraw/zinc/55/26/60/1366552660.db2.gz MJBCXSFTVLYFBG-ROUUACIJSA-N 1 2 342.487 3.185 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[C@@H](CC)C(C)C)CC2)C1 ZINC001105731944 1366589085 /nfs/dbraw/zinc/58/90/85/1366589085.db2.gz YCWWRBYBPKZZDE-QGZVFWFLSA-N 1 2 336.520 3.327 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CC2(C)C)C1 ZINC001324926673 1387826881 /nfs/dbraw/zinc/82/68/81/1387826881.db2.gz LCSFVPJZYUOPKU-CZUORRHYSA-N 1 2 343.309 3.159 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CC2(C)C)C1 ZINC001324926673 1387826883 /nfs/dbraw/zinc/82/68/83/1387826883.db2.gz LCSFVPJZYUOPKU-CZUORRHYSA-N 1 2 343.309 3.159 20 30 EGEDLO C=C(C)CCC(=O)N(CC)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001106862012 1366818705 /nfs/dbraw/zinc/81/87/05/1366818705.db2.gz WVPCYGQYWDDMES-UHFFFAOYSA-N 1 2 330.476 3.281 20 30 EGEDLO C#Cc1ccc(C(=O)NC/C=C/CNc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC001107455831 1366969896 /nfs/dbraw/zinc/96/98/96/1366969896.db2.gz ZQNYERBGAIKMAX-SNAWJCMRSA-N 1 2 346.434 3.042 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC/C=C\CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107462917 1366973373 /nfs/dbraw/zinc/97/33/73/1366973373.db2.gz ZRGHGRKFSIXFQG-GEXIGZQTSA-N 1 2 328.460 3.349 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]([N@H+](C)Cc2csc(C(C)(C)C)n2)C1 ZINC001189319354 1366988626 /nfs/dbraw/zinc/98/86/26/1366988626.db2.gz XZZBDVZAHDWOQH-HNNXBMFYSA-N 1 2 335.517 3.440 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2csc(C(C)(C)C)n2)C1 ZINC001189319354 1366988629 /nfs/dbraw/zinc/98/86/29/1366988629.db2.gz XZZBDVZAHDWOQH-HNNXBMFYSA-N 1 2 335.517 3.440 20 30 EGEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1Cl ZINC001109251829 1367026884 /nfs/dbraw/zinc/02/68/84/1367026884.db2.gz MGZMDWLMEXYALG-NJAFHUGGSA-N 1 2 346.833 3.114 20 30 EGEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1Cl ZINC001109251829 1367026890 /nfs/dbraw/zinc/02/68/90/1367026890.db2.gz MGZMDWLMEXYALG-NJAFHUGGSA-N 1 2 346.833 3.114 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)cs1 ZINC001109326802 1367054246 /nfs/dbraw/zinc/05/42/46/1367054246.db2.gz GXSDRCCVOQFXRA-IKGGRYGDSA-N 1 2 345.512 3.441 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001109326802 1367054248 /nfs/dbraw/zinc/05/42/48/1367054248.db2.gz GXSDRCCVOQFXRA-IKGGRYGDSA-N 1 2 345.512 3.441 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001109345904 1367072926 /nfs/dbraw/zinc/07/29/26/1367072926.db2.gz CJGGQGKYLMRULE-HZPDHXFCSA-N 1 2 330.476 3.474 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CCCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001109347631 1367076631 /nfs/dbraw/zinc/07/66/31/1367076631.db2.gz ZGKVCCATCCEMHT-SJORKVTESA-N 1 2 328.460 3.066 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(Cl)n1 ZINC001109350968 1367081901 /nfs/dbraw/zinc/08/19/01/1367081901.db2.gz KZTPAKAODZQBQI-PMPSAXMXSA-N 1 2 333.863 3.313 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(Cl)n1 ZINC001109350968 1367081904 /nfs/dbraw/zinc/08/19/04/1367081904.db2.gz KZTPAKAODZQBQI-PMPSAXMXSA-N 1 2 333.863 3.313 20 30 EGEDLO C=CCCC(=O)NC[C@]1(C)C[N@H+](Cc2cc3ccccc3o2)CCO1 ZINC001107802057 1367153163 /nfs/dbraw/zinc/15/31/63/1367153163.db2.gz HZWHCOQXCLPHAQ-HXUWFJFHSA-N 1 2 342.439 3.106 20 30 EGEDLO C=CCCC(=O)NC[C@]1(C)C[N@@H+](Cc2cc3ccccc3o2)CCO1 ZINC001107802057 1367153168 /nfs/dbraw/zinc/15/31/68/1367153168.db2.gz HZWHCOQXCLPHAQ-HXUWFJFHSA-N 1 2 342.439 3.106 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@@H]([N@H+](C)Cc2csc(C(C)(C)C)n2)C1 ZINC001190067693 1367164162 /nfs/dbraw/zinc/16/41/62/1367164162.db2.gz SBRGRWDWFFTZAJ-MRXNPFEDSA-N 1 2 347.528 3.133 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@@H]([N@@H+](C)Cc2csc(C(C)(C)C)n2)C1 ZINC001190067693 1367164165 /nfs/dbraw/zinc/16/41/65/1367164165.db2.gz SBRGRWDWFFTZAJ-MRXNPFEDSA-N 1 2 347.528 3.133 20 30 EGEDLO CCCc1nc(C[N@H+](C)[C@H]2CCN(C(=O)C#CC(C)(C)C)C2)cs1 ZINC001190075615 1367165746 /nfs/dbraw/zinc/16/57/46/1367165746.db2.gz ADQXFDZHKLEYAJ-INIZCTEOSA-N 1 2 347.528 3.178 20 30 EGEDLO CCCc1nc(C[N@@H+](C)[C@H]2CCN(C(=O)C#CC(C)(C)C)C2)cs1 ZINC001190075615 1367165749 /nfs/dbraw/zinc/16/57/49/1367165749.db2.gz ADQXFDZHKLEYAJ-INIZCTEOSA-N 1 2 347.528 3.178 20 30 EGEDLO N#Cc1c[nH]c2cc(NC(=O)c3ccccc3-n3cc[nH+]c3)ccc12 ZINC001190100200 1367173090 /nfs/dbraw/zinc/17/30/90/1367173090.db2.gz QEFBNBFWJYFKCC-UHFFFAOYSA-N 1 2 327.347 3.478 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@]1(C)C[N@H+]([C@@H](C)c2ccccc2F)CCO1 ZINC001107977815 1367228068 /nfs/dbraw/zinc/22/80/68/1367228068.db2.gz VJGQFEBHMLOAJI-JXFKEZNVSA-N 1 2 348.462 3.450 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@]1(C)C[N@@H+]([C@@H](C)c2ccccc2F)CCO1 ZINC001107977815 1367228072 /nfs/dbraw/zinc/22/80/72/1367228072.db2.gz VJGQFEBHMLOAJI-JXFKEZNVSA-N 1 2 348.462 3.450 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)CCCNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001109610782 1367233598 /nfs/dbraw/zinc/23/35/98/1367233598.db2.gz NOOFXLLURRUKJR-UHFFFAOYSA-N 1 2 342.487 3.281 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC001190353924 1367235464 /nfs/dbraw/zinc/23/54/64/1367235464.db2.gz DQGQQPJGHZBTCL-IBGZPJMESA-N 1 2 344.503 3.265 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC001190353924 1367235468 /nfs/dbraw/zinc/23/54/68/1367235468.db2.gz DQGQQPJGHZBTCL-IBGZPJMESA-N 1 2 344.503 3.265 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1F ZINC001109627364 1367245544 /nfs/dbraw/zinc/24/55/44/1367245544.db2.gz OFQPBGJNBICMBD-NEWSRXKRSA-N 1 2 346.421 3.380 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1F ZINC001109627364 1367245547 /nfs/dbraw/zinc/24/55/47/1367245547.db2.gz OFQPBGJNBICMBD-NEWSRXKRSA-N 1 2 346.421 3.380 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001109631721 1367251334 /nfs/dbraw/zinc/25/13/34/1367251334.db2.gz LEFAXOIABPNMKZ-ZSGPHXLJSA-N 1 2 331.435 3.045 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1 ZINC001109631721 1367251342 /nfs/dbraw/zinc/25/13/42/1367251342.db2.gz LEFAXOIABPNMKZ-ZSGPHXLJSA-N 1 2 331.435 3.045 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001190396937 1367252685 /nfs/dbraw/zinc/25/26/85/1367252685.db2.gz HQUKRYSZRKQJOC-GOSISDBHSA-N 1 2 343.446 3.332 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001190396937 1367252688 /nfs/dbraw/zinc/25/26/88/1367252688.db2.gz HQUKRYSZRKQJOC-GOSISDBHSA-N 1 2 343.446 3.332 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc3cccc(C)c3s2)C1 ZINC001108038637 1367254030 /nfs/dbraw/zinc/25/40/30/1367254030.db2.gz XHBJHNHJQWCTFR-LJQANCHMSA-N 1 2 344.480 3.216 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc3cccc(C)c3s2)C1 ZINC001108038637 1367254032 /nfs/dbraw/zinc/25/40/32/1367254032.db2.gz XHBJHNHJQWCTFR-LJQANCHMSA-N 1 2 344.480 3.216 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001190398119 1367254198 /nfs/dbraw/zinc/25/41/98/1367254198.db2.gz QQKPCPMSENTAMY-OAHLLOKOSA-N 1 2 331.460 3.187 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC001190398119 1367254202 /nfs/dbraw/zinc/25/42/02/1367254202.db2.gz QQKPCPMSENTAMY-OAHLLOKOSA-N 1 2 331.460 3.187 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc3ccc(F)cc3s2)C1 ZINC001108057897 1367260867 /nfs/dbraw/zinc/26/08/67/1367260867.db2.gz NPTQJBWRVGXLMK-GOSISDBHSA-N 1 2 348.443 3.047 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc3ccc(F)cc3s2)C1 ZINC001108057897 1367260874 /nfs/dbraw/zinc/26/08/74/1367260874.db2.gz NPTQJBWRVGXLMK-GOSISDBHSA-N 1 2 348.443 3.047 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2csc(CCC)n2)C1 ZINC001190429175 1367263105 /nfs/dbraw/zinc/26/31/05/1367263105.db2.gz WBTIRMXYXPAONE-MRXNPFEDSA-N 1 2 335.517 3.485 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2csc(CCC)n2)C1 ZINC001190429175 1367263111 /nfs/dbraw/zinc/26/31/11/1367263111.db2.gz WBTIRMXYXPAONE-MRXNPFEDSA-N 1 2 335.517 3.485 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2nc(C(C)C)no2)C1 ZINC001190435081 1367263723 /nfs/dbraw/zinc/26/37/23/1367263723.db2.gz CHQXPTYZLURMHZ-HUUCEWRRSA-N 1 2 334.464 3.143 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2nc(C(C)C)no2)C1 ZINC001190435081 1367263726 /nfs/dbraw/zinc/26/37/26/1367263726.db2.gz CHQXPTYZLURMHZ-HUUCEWRRSA-N 1 2 334.464 3.143 20 30 EGEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)c(C)s1 ZINC001109656240 1367266589 /nfs/dbraw/zinc/26/65/89/1367266589.db2.gz KGKPJZQCMJPWFK-PMPSAXMXSA-N 1 2 333.501 3.338 20 30 EGEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)c(C)s1 ZINC001109656240 1367266598 /nfs/dbraw/zinc/26/65/98/1367266598.db2.gz KGKPJZQCMJPWFK-PMPSAXMXSA-N 1 2 333.501 3.338 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)cn2)CCC1 ZINC001109683363 1367280595 /nfs/dbraw/zinc/28/05/95/1367280595.db2.gz IFZNOOZPNYXEQJ-SQNIBIBYSA-N 1 2 343.446 3.189 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)cn2)CCC1 ZINC001109683363 1367280598 /nfs/dbraw/zinc/28/05/98/1367280598.db2.gz IFZNOOZPNYXEQJ-SQNIBIBYSA-N 1 2 343.446 3.189 20 30 EGEDLO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C(C)(F)F ZINC001109733811 1367295445 /nfs/dbraw/zinc/29/54/45/1367295445.db2.gz HMZYUJIPBNWMLZ-VZEFYGNVSA-N 1 2 347.409 3.071 20 30 EGEDLO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C(C)(F)F ZINC001109733811 1367295452 /nfs/dbraw/zinc/29/54/52/1367295452.db2.gz HMZYUJIPBNWMLZ-VZEFYGNVSA-N 1 2 347.409 3.071 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@]1(C)C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC001108148785 1367310548 /nfs/dbraw/zinc/31/05/48/1367310548.db2.gz OHGCTKIESZJRON-OXQOHEQNSA-N 1 2 348.462 3.135 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC001108148785 1367310551 /nfs/dbraw/zinc/31/05/51/1367310551.db2.gz OHGCTKIESZJRON-OXQOHEQNSA-N 1 2 348.462 3.135 20 30 EGEDLO C=CCCCC(=O)NC[C@@]1(C)C[N@H+](C/C=C\c2ccccc2)CCO1 ZINC001108168480 1367319581 /nfs/dbraw/zinc/31/95/81/1367319581.db2.gz BENRMGCBILRJAU-ZAGZISDZSA-N 1 2 342.483 3.263 20 30 EGEDLO C=CCCCC(=O)NC[C@@]1(C)C[N@@H+](C/C=C\c2ccccc2)CCO1 ZINC001108168480 1367319584 /nfs/dbraw/zinc/31/95/84/1367319584.db2.gz BENRMGCBILRJAU-ZAGZISDZSA-N 1 2 342.483 3.263 20 30 EGEDLO C=C(C)CCC(=O)N[C@H](CNc1nc(C)[nH+]c2c1CCCC2)C1CC1 ZINC001109915539 1367402117 /nfs/dbraw/zinc/40/21/17/1367402117.db2.gz FZVIJRSASIVLOJ-GOSISDBHSA-N 1 2 342.487 3.327 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2CCC(CCCC)CC2)C1 ZINC001108383218 1367428232 /nfs/dbraw/zinc/42/82/32/1367428232.db2.gz ZXBJQJYFBRVYHX-GRERDSQWSA-N 1 2 348.531 3.213 20 30 EGEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2CCC(CCCC)CC2)C1 ZINC001108383218 1367428237 /nfs/dbraw/zinc/42/82/37/1367428237.db2.gz ZXBJQJYFBRVYHX-GRERDSQWSA-N 1 2 348.531 3.213 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(C(C)(C)C)s2)C1 ZINC001108412868 1367440809 /nfs/dbraw/zinc/44/08/09/1367440809.db2.gz NUNCXZNSGPFNLI-GOSISDBHSA-N 1 2 336.501 3.052 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(C(C)(C)C)s2)C1 ZINC001108412868 1367440812 /nfs/dbraw/zinc/44/08/12/1367440812.db2.gz NUNCXZNSGPFNLI-GOSISDBHSA-N 1 2 336.501 3.052 20 30 EGEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)CC=C(Cl)Cl)C2)cc1 ZINC001191665961 1367557338 /nfs/dbraw/zinc/55/73/38/1367557338.db2.gz FPWWRHIQQHUMMT-HNNXBMFYSA-N 1 2 337.250 3.133 20 30 EGEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)CC=C(Cl)Cl)C2)cc1 ZINC001191665961 1367557342 /nfs/dbraw/zinc/55/73/42/1367557342.db2.gz FPWWRHIQQHUMMT-HNNXBMFYSA-N 1 2 337.250 3.133 20 30 EGEDLO C=CC(C)(C)CC(=O)NCC1(Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001110244134 1367587993 /nfs/dbraw/zinc/58/79/93/1367587993.db2.gz JKZLCCXZXLCTMR-UHFFFAOYSA-N 1 2 328.460 3.325 20 30 EGEDLO C=CC(C)(C)CC(=O)NCC1(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001110244327 1367588034 /nfs/dbraw/zinc/58/80/34/1367588034.db2.gz NLBJELAKAFDDJL-UHFFFAOYSA-N 1 2 342.487 3.327 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)Nc2sc3c(c2C#N)CC[N@@H+](C)C3)CC1 ZINC001191792139 1367590548 /nfs/dbraw/zinc/59/05/48/1367590548.db2.gz IJEUZCHTBQUTFD-HAQNSBGRSA-N 1 2 332.473 3.308 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)Nc2sc3c(c2C#N)CC[N@H+](C)C3)CC1 ZINC001191792139 1367590554 /nfs/dbraw/zinc/59/05/54/1367590554.db2.gz IJEUZCHTBQUTFD-HAQNSBGRSA-N 1 2 332.473 3.308 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncoc2C(C)C)C1 ZINC001191867816 1367621175 /nfs/dbraw/zinc/62/11/75/1367621175.db2.gz JBLMINQPJNPCSD-HZPDHXFCSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncoc2C(C)C)C1 ZINC001191867816 1367621176 /nfs/dbraw/zinc/62/11/76/1367621176.db2.gz JBLMINQPJNPCSD-HZPDHXFCSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@H+](C)CC(=C)Br)C1 ZINC001191912405 1367636870 /nfs/dbraw/zinc/63/68/70/1367636870.db2.gz OKIMEVXYGYJWIK-ZIAGYGMSSA-N 1 2 329.282 3.030 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@@H+](C)CC(=C)Br)C1 ZINC001191912405 1367636879 /nfs/dbraw/zinc/63/68/79/1367636879.db2.gz OKIMEVXYGYJWIK-ZIAGYGMSSA-N 1 2 329.282 3.030 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccncc2Cl)C1 ZINC001191913590 1367637941 /nfs/dbraw/zinc/63/79/41/1367637941.db2.gz ZFOPQCONCZMQPJ-HOCLYGCPSA-N 1 2 335.879 3.370 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccncc2Cl)C1 ZINC001191913590 1367637947 /nfs/dbraw/zinc/63/79/47/1367637947.db2.gz ZFOPQCONCZMQPJ-HOCLYGCPSA-N 1 2 335.879 3.370 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2nc(CCCC)no2)C1 ZINC001192059555 1367676714 /nfs/dbraw/zinc/67/67/14/1367676714.db2.gz HHBGBFHTOBLPBD-JKSUJKDBSA-N 1 2 348.491 3.362 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2nc(CCCC)no2)C1 ZINC001192059555 1367676723 /nfs/dbraw/zinc/67/67/23/1367676723.db2.gz HHBGBFHTOBLPBD-JKSUJKDBSA-N 1 2 348.491 3.362 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)C2(CCCC)CC2)C1 ZINC001192195933 1367712782 /nfs/dbraw/zinc/71/27/82/1367712782.db2.gz AZEMQTYSPVDVEG-CQSZACIVSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)C2(CCCC)CC2)C1 ZINC001192195933 1367712785 /nfs/dbraw/zinc/71/27/85/1367712785.db2.gz AZEMQTYSPVDVEG-CQSZACIVSA-N 1 2 343.309 3.398 20 30 EGEDLO CC/C=C(\C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109016579 1367719993 /nfs/dbraw/zinc/71/99/93/1367719993.db2.gz VBHRORFMWDWKTM-DQRGMHJISA-N 1 2 341.430 3.275 20 30 EGEDLO CC/C=C(\C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109016579 1367719995 /nfs/dbraw/zinc/71/99/95/1367719995.db2.gz VBHRORFMWDWKTM-DQRGMHJISA-N 1 2 341.430 3.275 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)C2(CCC)CC2)C1 ZINC001192245802 1367728997 /nfs/dbraw/zinc/72/89/97/1367728997.db2.gz HEWQFVZXMIFYIS-CYBMUJFWSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)C2(CCC)CC2)C1 ZINC001192245802 1367729003 /nfs/dbraw/zinc/72/90/03/1367729003.db2.gz HEWQFVZXMIFYIS-CYBMUJFWSA-N 1 2 329.282 3.008 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H](C)CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001109114417 1367778127 /nfs/dbraw/zinc/77/81/27/1367778127.db2.gz KRJQKOUWNXNBAH-OAHLLOKOSA-N 1 2 342.487 3.372 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(O)ccc1Cl ZINC001110494479 1367782684 /nfs/dbraw/zinc/78/26/84/1367782684.db2.gz OIPPVQDXPIBSOC-OLMNPRSZSA-N 1 2 346.858 3.071 20 30 EGEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(O)ccc1Cl ZINC001110494479 1367782689 /nfs/dbraw/zinc/78/26/89/1367782689.db2.gz OIPPVQDXPIBSOC-OLMNPRSZSA-N 1 2 346.858 3.071 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1ccc(F)c(F)c1 ZINC001110538259 1367818783 /nfs/dbraw/zinc/81/87/83/1367818783.db2.gz UIZKXQRYXNTRNJ-LZBRWLDZSA-N 1 2 346.421 3.407 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1ccc(F)c(F)c1 ZINC001110538259 1367818789 /nfs/dbraw/zinc/81/87/89/1367818789.db2.gz UIZKXQRYXNTRNJ-LZBRWLDZSA-N 1 2 346.421 3.407 20 30 EGEDLO C[C@H](c1ccc(F)cc1F)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110542811 1367821007 /nfs/dbraw/zinc/82/10/07/1367821007.db2.gz APLYKKCXSHJABF-SNTIZLKRSA-N 1 2 344.405 3.161 20 30 EGEDLO C[C@H](c1ccc(F)cc1F)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110542811 1367821013 /nfs/dbraw/zinc/82/10/13/1367821013.db2.gz APLYKKCXSHJABF-SNTIZLKRSA-N 1 2 344.405 3.161 20 30 EGEDLO C=CC1(CC(=O)N2CC[C@H]([N@H+](C)Cc3ccon3)C2)CCCCC1 ZINC001192815932 1367880423 /nfs/dbraw/zinc/88/04/23/1367880423.db2.gz AXRZAAYZAUKXGA-KRWDZBQOSA-N 1 2 331.460 3.234 20 30 EGEDLO C=CC1(CC(=O)N2CC[C@H]([N@@H+](C)Cc3ccon3)C2)CCCCC1 ZINC001192815932 1367880424 /nfs/dbraw/zinc/88/04/24/1367880424.db2.gz AXRZAAYZAUKXGA-KRWDZBQOSA-N 1 2 331.460 3.234 20 30 EGEDLO C#CCCCCCC(=O)N[C@H](CNc1cc[nH+]c(C)n1)C1CCCC1 ZINC001110673203 1367913667 /nfs/dbraw/zinc/91/36/67/1367913667.db2.gz SJMGRGGSJPDMIG-GOSISDBHSA-N 1 2 342.487 3.456 20 30 EGEDLO C=C(C)CCC(=O)N[C@]1(C)CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001110793476 1367992233 /nfs/dbraw/zinc/99/22/33/1367992233.db2.gz DZRAETLGBOYWFB-LJQANCHMSA-N 1 2 330.476 3.350 20 30 EGEDLO C=C(C)CCC(=O)N[C@]1(C)CCN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC001110794084 1367992911 /nfs/dbraw/zinc/99/29/11/1367992911.db2.gz STFVRYXXLQEBFH-HXUWFJFHSA-N 1 2 342.487 3.105 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@](C)(CNc3cc[nH+]c(C)n3)C2)CC1 ZINC001110854213 1368035520 /nfs/dbraw/zinc/03/55/20/1368035520.db2.gz XBBLVZUCLJFXEO-GOSISDBHSA-N 1 2 328.460 3.182 20 30 EGEDLO C=C(C)CCC(=O)NCC1(C)CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001110885812 1368059381 /nfs/dbraw/zinc/05/93/81/1368059381.db2.gz XIHPQRHCQFVFIJ-UHFFFAOYSA-N 1 2 344.503 3.481 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001110900581 1368074500 /nfs/dbraw/zinc/07/45/00/1368074500.db2.gz IDNLOOBPAJYONK-LMMKCTJWSA-N 1 2 343.471 3.097 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001110900581 1368074507 /nfs/dbraw/zinc/07/45/07/1368074507.db2.gz IDNLOOBPAJYONK-LMMKCTJWSA-N 1 2 343.471 3.097 20 30 EGEDLO N#CC1(NC(=O)[C@@H]2Cc3ccccc3C[N@@H+]2Cc2ccccc2)CCC1 ZINC001186307191 1387919083 /nfs/dbraw/zinc/91/90/83/1387919083.db2.gz VKKMKVKBMMRRGX-FQEVSTJZSA-N 1 2 345.446 3.176 20 30 EGEDLO N#CC1(NC(=O)[C@@H]2Cc3ccccc3C[N@H+]2Cc2ccccc2)CCC1 ZINC001186307191 1387919098 /nfs/dbraw/zinc/91/90/98/1387919098.db2.gz VKKMKVKBMMRRGX-FQEVSTJZSA-N 1 2 345.446 3.176 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C(F)F)CCCC1)C2 ZINC001110946747 1368114029 /nfs/dbraw/zinc/11/40/29/1368114029.db2.gz VKDMZUASODAXEV-UPJWGTAASA-N 1 2 332.822 3.286 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C(F)F)CCCC1)C2 ZINC001110946747 1368114031 /nfs/dbraw/zinc/11/40/31/1368114031.db2.gz VKDMZUASODAXEV-UPJWGTAASA-N 1 2 332.822 3.286 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC001110948282 1368115315 /nfs/dbraw/zinc/11/53/15/1368115315.db2.gz REXNCSYUWOQEPH-HXUWFJFHSA-N 1 2 342.487 3.276 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)CCCCCC)C1 ZINC001193824180 1368123006 /nfs/dbraw/zinc/12/30/06/1368123006.db2.gz BVDWFNHLVRKOPF-CQSZACIVSA-N 1 2 331.298 3.398 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)CCCCCC)C1 ZINC001193824180 1368123008 /nfs/dbraw/zinc/12/30/08/1368123008.db2.gz BVDWFNHLVRKOPF-CQSZACIVSA-N 1 2 331.298 3.398 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)cs1 ZINC001110988909 1368135647 /nfs/dbraw/zinc/13/56/47/1368135647.db2.gz AAMPZHWHZBUAEN-BSXFFOKHSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001110988909 1368135651 /nfs/dbraw/zinc/13/56/51/1368135651.db2.gz AAMPZHWHZBUAEN-BSXFFOKHSA-N 1 2 333.501 3.275 20 30 EGEDLO CCCCCCCOC(=O)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001193995842 1368164154 /nfs/dbraw/zinc/16/41/54/1368164154.db2.gz YHZVVLIDLNWPJX-UHFFFAOYSA-N 1 2 346.431 3.385 20 30 EGEDLO Cc1cc(N[C@@H](C)[C@@H]2CCN(C(=O)C#CC(C)C)C2)nc(C(C)C)[nH+]1 ZINC001111216064 1368194284 /nfs/dbraw/zinc/19/42/84/1368194284.db2.gz NHNNFKLNYRVIBL-DLBZAZTESA-N 1 2 342.487 3.217 20 30 EGEDLO CCc1ccc(N2CC[NH+](Cc3cc(C#N)ccn3)CC2)cc1Cl ZINC001194281096 1368223888 /nfs/dbraw/zinc/22/38/88/1368223888.db2.gz ZJFYBDQCTZPWMH-UHFFFAOYSA-N 1 2 340.858 3.491 20 30 EGEDLO CC#CCCCC(=O)NC[C@H]1CC[C@H](CNc2cc[nH+]c(C)n2)CC1 ZINC001111277836 1368244300 /nfs/dbraw/zinc/24/43/00/1368244300.db2.gz KWWNYZBEZPDEFZ-IYARVYRRSA-N 1 2 342.487 3.313 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(F)=C(C)C)C1 ZINC001111701357 1368425402 /nfs/dbraw/zinc/42/54/02/1368425402.db2.gz STDKMUPLAVOEMN-WFASDCNBSA-N 1 2 345.256 3.129 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(F)=C(C)C)C1 ZINC001111701357 1368425408 /nfs/dbraw/zinc/42/54/08/1368425408.db2.gz STDKMUPLAVOEMN-WFASDCNBSA-N 1 2 345.256 3.129 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[N@@H+]([C@H]2CCc3c2c(F)ccc3F)CC1 ZINC001195775248 1368487414 /nfs/dbraw/zinc/48/74/14/1368487414.db2.gz SCPPJVPMNQFQDA-SFHVURJKSA-N 1 2 346.421 3.146 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[N@H+]([C@H]2CCc3c2c(F)ccc3F)CC1 ZINC001195775248 1368487415 /nfs/dbraw/zinc/48/74/15/1368487415.db2.gz SCPPJVPMNQFQDA-SFHVURJKSA-N 1 2 346.421 3.146 20 30 EGEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)c1nnc(C)s1)C2 ZINC001111859028 1368509736 /nfs/dbraw/zinc/50/97/36/1368509736.db2.gz KNBSHCWDIARYDU-XUWXXGDYSA-N 1 2 348.516 3.235 20 30 EGEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)c1nnc(C)s1)C2 ZINC001111859028 1368509738 /nfs/dbraw/zinc/50/97/38/1368509738.db2.gz KNBSHCWDIARYDU-XUWXXGDYSA-N 1 2 348.516 3.235 20 30 EGEDLO CCC(C)(C)CC(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001195974402 1368526446 /nfs/dbraw/zinc/52/64/46/1368526446.db2.gz HUBVJFAWFRYDKB-UHFFFAOYSA-N 1 2 327.472 3.419 20 30 EGEDLO CCC(C)(C)CC(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001195974402 1368526450 /nfs/dbraw/zinc/52/64/50/1368526450.db2.gz HUBVJFAWFRYDKB-UHFFFAOYSA-N 1 2 327.472 3.419 20 30 EGEDLO Cc1cc(N2CCC[C@H](NC(=O)C#CC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001111991257 1368594506 /nfs/dbraw/zinc/59/45/06/1368594506.db2.gz ZBBZFFFRIUOTLE-KRWDZBQOSA-N 1 2 342.487 3.043 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001112010888 1368615053 /nfs/dbraw/zinc/61/50/53/1368615053.db2.gz WASSRHXGHWCVJM-YLJYHZDGSA-N 1 2 344.503 3.479 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[N@@H+](Cc2nc(C)cs2)CC1 ZINC001196770186 1368680288 /nfs/dbraw/zinc/68/02/88/1368680288.db2.gz MEMDYDCLUXQULI-UHFFFAOYSA-N 1 2 333.501 3.070 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[N@H+](Cc2nc(C)cs2)CC1 ZINC001196770186 1368680293 /nfs/dbraw/zinc/68/02/93/1368680293.db2.gz MEMDYDCLUXQULI-UHFFFAOYSA-N 1 2 333.501 3.070 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[N@@H+](Cc2nc(C)sc2C)CC1 ZINC001196771679 1368681284 /nfs/dbraw/zinc/68/12/84/1368681284.db2.gz XLYDUFZYPDLVMW-UHFFFAOYSA-N 1 2 347.528 3.378 20 30 EGEDLO C#CCCCCCC(=O)N1CCC[N@H+](Cc2nc(C)sc2C)CC1 ZINC001196771679 1368681288 /nfs/dbraw/zinc/68/12/88/1368681288.db2.gz XLYDUFZYPDLVMW-UHFFFAOYSA-N 1 2 347.528 3.378 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccncc2Cl)CC1 ZINC001196853246 1368698449 /nfs/dbraw/zinc/69/84/49/1368698449.db2.gz IYMVBPQZIHLUEG-LSDHHAIUSA-N 1 2 335.879 3.228 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccncc2Cl)CC1 ZINC001196853246 1368698454 /nfs/dbraw/zinc/69/84/54/1368698454.db2.gz IYMVBPQZIHLUEG-LSDHHAIUSA-N 1 2 335.879 3.228 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2cc(F)cc(F)c2)CC1 ZINC001196853046 1368699029 /nfs/dbraw/zinc/69/90/29/1368699029.db2.gz FJUUUUNILPLYPT-LSDHHAIUSA-N 1 2 336.426 3.457 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2cc(F)cc(F)c2)CC1 ZINC001196853046 1368699036 /nfs/dbraw/zinc/69/90/36/1368699036.db2.gz FJUUUUNILPLYPT-LSDHHAIUSA-N 1 2 336.426 3.457 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001196854029 1368699785 /nfs/dbraw/zinc/69/97/85/1368699785.db2.gz OMVPHDXZOLRELZ-SJORKVTESA-N 1 2 325.456 3.051 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001196854029 1368699786 /nfs/dbraw/zinc/69/97/86/1368699786.db2.gz OMVPHDXZOLRELZ-SJORKVTESA-N 1 2 325.456 3.051 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2cc(F)ccc2F)CC1 ZINC001196854114 1368700331 /nfs/dbraw/zinc/70/03/31/1368700331.db2.gz PIWZJGMSBZYEGT-CABCVRRESA-N 1 2 336.426 3.457 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2cc(F)ccc2F)CC1 ZINC001196854114 1368700334 /nfs/dbraw/zinc/70/03/34/1368700334.db2.gz PIWZJGMSBZYEGT-CABCVRRESA-N 1 2 336.426 3.457 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[N@H+](Cc2nc(C)c(C)s2)CC1 ZINC001196889217 1368707737 /nfs/dbraw/zinc/70/77/37/1368707737.db2.gz AKXXECGRAHVOBL-MRXNPFEDSA-N 1 2 335.517 3.397 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[N@@H+](Cc2nc(C)c(C)s2)CC1 ZINC001196889217 1368707741 /nfs/dbraw/zinc/70/77/41/1368707741.db2.gz AKXXECGRAHVOBL-MRXNPFEDSA-N 1 2 335.517 3.397 20 30 EGEDLO C=CCCC(=O)N1CCC[C@@H]([C@H]2CCCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001112202091 1368711663 /nfs/dbraw/zinc/71/16/63/1368711663.db2.gz GBPNBIVJIFXHGM-ZWKOTPCHSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@@H+]([C@@H](C)c3cnc(C)cn3)CC2)CCC1 ZINC001197077443 1368741307 /nfs/dbraw/zinc/74/13/07/1368741307.db2.gz SVOXJLSIGQUCPM-KRWDZBQOSA-N 1 2 342.487 3.127 20 30 EGEDLO C=CCC1(C(=O)N2CCC[N@H+]([C@@H](C)c3cnc(C)cn3)CC2)CCC1 ZINC001197077443 1368741309 /nfs/dbraw/zinc/74/13/09/1368741309.db2.gz SVOXJLSIGQUCPM-KRWDZBQOSA-N 1 2 342.487 3.127 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1(C)C ZINC001112367560 1368795957 /nfs/dbraw/zinc/79/59/57/1368795957.db2.gz KUDZZLHNFLPZHK-INIZCTEOSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C[C@@H]1C ZINC001112429489 1368843639 /nfs/dbraw/zinc/84/36/39/1368843639.db2.gz QHDJETDOZPAKIT-BBRMVZONSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H](C)C1 ZINC001112499271 1368896983 /nfs/dbraw/zinc/89/69/83/1368896983.db2.gz HQNARSROMYKMLK-SUMWQHHRSA-N 1 2 344.503 3.478 20 30 EGEDLO C=CCCC(=O)N(C)[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001112615745 1368947273 /nfs/dbraw/zinc/94/72/73/1368947273.db2.gz GDWMHLNIACKGAQ-KRWDZBQOSA-N 1 2 330.476 3.185 20 30 EGEDLO C=CCC1(C(=O)N(C)[C@@H]2CCCN(c3cc[nH+]c(C)n3)CC2)CCC1 ZINC001112633566 1368964042 /nfs/dbraw/zinc/96/40/42/1368964042.db2.gz NHAVGCVLJPWUQV-QGZVFWFLSA-N 1 2 342.487 3.349 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+]([C@@H](CC)c2ccc(F)cc2)CC1 ZINC001112671894 1368975437 /nfs/dbraw/zinc/97/54/37/1368975437.db2.gz VKXXIROQZCLEPG-LPHOPBHVSA-N 1 2 348.462 3.402 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC(CN(CC)c2cc[nH+]c(C)n2)CC1 ZINC001112686813 1368981329 /nfs/dbraw/zinc/98/13/29/1368981329.db2.gz IEQQDMGOHSCWBC-UHFFFAOYSA-N 1 2 344.503 3.452 20 30 EGEDLO CC(C)c1cc(NCC2CC(NC(=O)[C@H](C)C#N)C2)nc(C(C)C)[nH+]1 ZINC001112829143 1369033104 /nfs/dbraw/zinc/03/31/04/1369033104.db2.gz VHZYGQFKDTWZSY-WLYUNCDWSA-N 1 2 343.475 3.190 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC001112880965 1369065090 /nfs/dbraw/zinc/06/50/90/1369065090.db2.gz VJFQQLUQMVNKHC-UHFFFAOYSA-N 1 2 340.467 3.129 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[NH+](CCO[C@H]2CCCC[C@@H]2C)CC1 ZINC001112888126 1369071162 /nfs/dbraw/zinc/07/11/62/1369071162.db2.gz NXOGUSPPRDXGNY-ROUUACIJSA-N 1 2 336.520 3.328 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)/C=C/C1CC1)c1ccccc1OC ZINC001198634916 1369078079 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C=CCC(C)(C)C(=O)NC[C@H](C)N(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001113895713 1369650071 /nfs/dbraw/zinc/65/00/71/1369650071.db2.gz JRZSSSRWFZOADG-AWEZNQCLSA-N 1 2 344.503 3.207 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CN(c2nc(C)[nH+]c(C)c2C)CC[C@@H]1C ZINC001114040175 1369698360 /nfs/dbraw/zinc/69/83/60/1369698360.db2.gz SRAWPJJINWVECC-GUYCJALGSA-N 1 2 330.476 3.089 20 30 EGEDLO C=CCCC(=O)NC[C@@H]1CCCCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001114348938 1369905524 /nfs/dbraw/zinc/90/55/24/1369905524.db2.gz GUUOVHKMQYHHGD-KRWDZBQOSA-N 1 2 342.487 3.494 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)CC1(C)C ZINC001114477184 1369966839 /nfs/dbraw/zinc/96/68/39/1369966839.db2.gz RYUJPMNOAWOQTP-OAHLLOKOSA-N 1 2 344.503 3.452 20 30 EGEDLO N#Cc1ncc(Nc2cc(Br)c3[nH+]ccn3c2)cc1F ZINC001203056477 1369968854 /nfs/dbraw/zinc/96/88/54/1369968854.db2.gz VIQGRZSBCZRLIA-UHFFFAOYSA-N 1 2 332.136 3.246 20 30 EGEDLO CCCCCCCCC(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]21 ZINC001114547178 1369984580 /nfs/dbraw/zinc/98/45/80/1369984580.db2.gz QQFUPGXLNSUTKS-NNZMDNLPSA-N 1 2 344.503 3.334 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(C(C)(C)C)on3)C[C@H]21 ZINC001114726916 1370049333 /nfs/dbraw/zinc/04/93/33/1370049333.db2.gz RBOGJKUZGGMIRA-RGPZOAQRSA-N 1 2 345.487 3.121 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(C(C)(C)C)on3)C[C@H]21 ZINC001114726916 1370049340 /nfs/dbraw/zinc/04/93/40/1370049340.db2.gz RBOGJKUZGGMIRA-RGPZOAQRSA-N 1 2 345.487 3.121 20 30 EGEDLO CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001114762449 1370066786 /nfs/dbraw/zinc/06/67/86/1370066786.db2.gz UFUDDZAHQIWNRH-VQFNDLOPSA-N 1 2 344.886 3.174 20 30 EGEDLO CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001114762449 1370066789 /nfs/dbraw/zinc/06/67/89/1370066789.db2.gz UFUDDZAHQIWNRH-VQFNDLOPSA-N 1 2 344.886 3.174 20 30 EGEDLO CCC(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001115024996 1370220613 /nfs/dbraw/zinc/22/06/13/1370220613.db2.gz JAYSZHQBQGXFDD-RUYXUALKSA-N 1 2 343.446 3.070 20 30 EGEDLO CCC(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001115024996 1370220617 /nfs/dbraw/zinc/22/06/17/1370220617.db2.gz JAYSZHQBQGXFDD-RUYXUALKSA-N 1 2 343.446 3.070 20 30 EGEDLO CCOC(=O)c1cc2c(s1)CC[N@H+](Cc1cccc(C#N)c1)C2 ZINC001203762269 1370254599 /nfs/dbraw/zinc/25/45/99/1370254599.db2.gz BZBUWFLZDHKFEX-UHFFFAOYSA-N 1 2 326.421 3.355 20 30 EGEDLO CCOC(=O)c1cc2c(s1)CC[N@@H+](Cc1cccc(C#N)c1)C2 ZINC001203762269 1370254603 /nfs/dbraw/zinc/25/46/03/1370254603.db2.gz BZBUWFLZDHKFEX-UHFFFAOYSA-N 1 2 326.421 3.355 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N(C)[C@@H](CNc1cc[nH+]c(C)n1)C1CC1 ZINC001115542742 1370539063 /nfs/dbraw/zinc/53/90/63/1370539063.db2.gz LTXMZSPHNHSNDJ-AWEZNQCLSA-N 1 2 336.867 3.213 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@@H](CNc2cc[nH+]c(C)n2)C2CC2)CC1 ZINC001115574181 1370577245 /nfs/dbraw/zinc/57/72/45/1370577245.db2.gz QRIIPAAYNRQNCQ-KRWDZBQOSA-N 1 2 328.460 3.180 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCC1([NH2+]Cc2noc(CC)n2)CCCCC1 ZINC001115684802 1370667778 /nfs/dbraw/zinc/66/77/78/1370667778.db2.gz IZEGBQJGOTVPTH-HNNXBMFYSA-N 1 2 348.491 3.143 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CC12CC2 ZINC001205455708 1370760840 /nfs/dbraw/zinc/76/08/40/1370760840.db2.gz QIDIMGQSYHEOIN-MRXNPFEDSA-N 1 2 345.418 3.186 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CC12CC2 ZINC001205455708 1370760845 /nfs/dbraw/zinc/76/08/45/1370760845.db2.gz QIDIMGQSYHEOIN-MRXNPFEDSA-N 1 2 345.418 3.186 20 30 EGEDLO CCCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206018714 1370940582 /nfs/dbraw/zinc/94/05/82/1370940582.db2.gz ZKJLSZKPLIVASN-RDTXWAMCSA-N 1 2 331.435 3.214 20 30 EGEDLO CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206018714 1370940588 /nfs/dbraw/zinc/94/05/88/1370940588.db2.gz ZKJLSZKPLIVASN-RDTXWAMCSA-N 1 2 331.435 3.214 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)CC(C)(C)C ZINC001206035041 1370945024 /nfs/dbraw/zinc/94/50/24/1370945024.db2.gz OWXRQCIMKKOVMY-CXAGYDPISA-N 1 2 331.435 3.070 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)CC(C)(C)C ZINC001206035041 1370945027 /nfs/dbraw/zinc/94/50/27/1370945027.db2.gz OWXRQCIMKKOVMY-CXAGYDPISA-N 1 2 331.435 3.070 20 30 EGEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc(F)c(CC#N)c1 ZINC001206519292 1371080948 /nfs/dbraw/zinc/08/09/48/1371080948.db2.gz CSVPVIDWEZXBBA-UHFFFAOYSA-N 1 2 340.398 3.400 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(C(C)(C)C)cs2)C[C@H]1C ZINC001206544096 1371088278 /nfs/dbraw/zinc/08/82/78/1371088278.db2.gz DRACGGKTJUCMIT-ZIAGYGMSSA-N 1 2 335.517 3.343 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2nc(C(C)(C)C)cs2)C[C@H]1C ZINC001206544096 1371088282 /nfs/dbraw/zinc/08/82/82/1371088282.db2.gz DRACGGKTJUCMIT-ZIAGYGMSSA-N 1 2 335.517 3.343 20 30 EGEDLO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3c(F)cncc3F)C2)cc1 ZINC001206861474 1371193271 /nfs/dbraw/zinc/19/32/71/1371193271.db2.gz JYKDVIVMRGLDGI-HNNXBMFYSA-N 1 2 329.350 3.275 20 30 EGEDLO N#Cc1ccc(O[C@H]2CCC[N@H+](Cc3c(F)cncc3F)C2)cc1 ZINC001206861474 1371193275 /nfs/dbraw/zinc/19/32/75/1371193275.db2.gz JYKDVIVMRGLDGI-HNNXBMFYSA-N 1 2 329.350 3.275 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001207158459 1371315174 /nfs/dbraw/zinc/31/51/74/1371315174.db2.gz RVPPWLWIFOMRGV-UKRRQHHQSA-N 1 2 335.517 3.244 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2csc(CC)n2)C[C@H]1C ZINC001207158459 1371315176 /nfs/dbraw/zinc/31/51/76/1371315176.db2.gz RVPPWLWIFOMRGV-UKRRQHHQSA-N 1 2 335.517 3.244 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C3CCCC3)n2)C[C@H]1C ZINC001207190115 1371324308 /nfs/dbraw/zinc/32/43/08/1371324308.db2.gz HFKDZBNNADSDIH-VQIMIIECSA-N 1 2 344.503 3.291 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccn(C3CCCC3)n2)C[C@H]1C ZINC001207190115 1371324311 /nfs/dbraw/zinc/32/43/11/1371324311.db2.gz HFKDZBNNADSDIH-VQIMIIECSA-N 1 2 344.503 3.291 20 30 EGEDLO CCOC(=O)C[N@@H+]1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001207417906 1371388099 /nfs/dbraw/zinc/38/80/99/1371388099.db2.gz LVGMKJLRPQOMIK-HXUWFJFHSA-N 1 2 348.446 3.381 20 30 EGEDLO CCOC(=O)C[N@H+]1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001207417906 1371388104 /nfs/dbraw/zinc/38/81/04/1371388104.db2.gz LVGMKJLRPQOMIK-HXUWFJFHSA-N 1 2 348.446 3.381 20 30 EGEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cncc(C#N)c1 ZINC001119824419 1371409609 /nfs/dbraw/zinc/40/96/09/1371409609.db2.gz XRZNYWHSOZNLBQ-SQNIBIBYSA-N 1 2 341.455 3.428 20 30 EGEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cncc(C#N)c1 ZINC001119824419 1371409612 /nfs/dbraw/zinc/40/96/12/1371409612.db2.gz XRZNYWHSOZNLBQ-SQNIBIBYSA-N 1 2 341.455 3.428 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C(C)(C)C)C1 ZINC001207713104 1371483901 /nfs/dbraw/zinc/48/39/01/1371483901.db2.gz LFMNAZUHWINHGH-KGYLQXTDSA-N 1 2 331.298 3.014 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C(C)(C)C)C1 ZINC001207713104 1371483902 /nfs/dbraw/zinc/48/39/02/1371483902.db2.gz LFMNAZUHWINHGH-KGYLQXTDSA-N 1 2 331.298 3.014 20 30 EGEDLO O=C1C=C2C[N@@H+](CC3(c4ccccc4)CCOCC3)CC[C@@H]2S1 ZINC001208221916 1371661180 /nfs/dbraw/zinc/66/11/80/1371661180.db2.gz AYICBKFCFFYHBN-KRWDZBQOSA-N 1 2 329.465 3.009 20 30 EGEDLO O=C1C=C2C[N@H+](CC3(c4ccccc4)CCOCC3)CC[C@@H]2S1 ZINC001208221916 1371661187 /nfs/dbraw/zinc/66/11/87/1371661187.db2.gz AYICBKFCFFYHBN-KRWDZBQOSA-N 1 2 329.465 3.009 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001208391204 1371749980 /nfs/dbraw/zinc/74/99/80/1371749980.db2.gz LLOYNTZVVOBINM-JJRVBVJISA-N 1 2 331.460 3.091 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001208391204 1371749986 /nfs/dbraw/zinc/74/99/86/1371749986.db2.gz LLOYNTZVVOBINM-JJRVBVJISA-N 1 2 331.460 3.091 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001208509251 1371793437 /nfs/dbraw/zinc/79/34/37/1371793437.db2.gz XPIFUBYSQKMNOZ-AXAPSJFSSA-N 1 2 341.908 3.335 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001208509251 1371793440 /nfs/dbraw/zinc/79/34/40/1371793440.db2.gz XPIFUBYSQKMNOZ-AXAPSJFSSA-N 1 2 341.908 3.335 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001209089544 1371994882 /nfs/dbraw/zinc/99/48/82/1371994882.db2.gz NMSAXSAGEMXQIW-GPMSIDNRSA-N 1 2 346.902 3.420 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001209089544 1371994884 /nfs/dbraw/zinc/99/48/84/1371994884.db2.gz NMSAXSAGEMXQIW-GPMSIDNRSA-N 1 2 346.902 3.420 20 30 EGEDLO C=CCCCC(=O)N1CCC[C@H]([NH2+][C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC001209344430 1372072656 /nfs/dbraw/zinc/07/26/56/1372072656.db2.gz DUBNHERBBZFTJO-CABCVRRESA-N 1 2 348.491 3.365 20 30 EGEDLO C=CCCC1(C(=O)N2CCC[C@@H]([NH2+]Cc3nc(C(C)C)no3)C2)CC1 ZINC001209492227 1372120120 /nfs/dbraw/zinc/12/01/20/1372120120.db2.gz ACPLEDPPELZHKR-OAHLLOKOSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)CCC)C1 ZINC001209799923 1372202419 /nfs/dbraw/zinc/20/24/19/1372202419.db2.gz OMYIEXFNXZKHGI-KWCYVHTRSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)CCC)C1 ZINC001209799923 1372202427 /nfs/dbraw/zinc/20/24/27/1372202427.db2.gz OMYIEXFNXZKHGI-KWCYVHTRSA-N 1 2 331.298 3.158 20 30 EGEDLO N#Cc1cc(F)cc(F)c1Nc1ccccc1C[NH+]1CCOCC1 ZINC001209931774 1372235016 /nfs/dbraw/zinc/23/50/16/1372235016.db2.gz FOBQYYYJZCWADH-UHFFFAOYSA-N 1 2 329.350 3.412 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)CCc1cccs1 ZINC001122441918 1372248391 /nfs/dbraw/zinc/24/83/91/1372248391.db2.gz XBQRICLVAQUWTD-INIZCTEOSA-N 1 2 345.516 3.361 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)CCc1cccs1 ZINC001122441918 1372248396 /nfs/dbraw/zinc/24/83/96/1372248396.db2.gz XBQRICLVAQUWTD-INIZCTEOSA-N 1 2 345.516 3.361 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H](C2CC2)C1 ZINC001122536755 1372268460 /nfs/dbraw/zinc/26/84/60/1372268460.db2.gz MCZQRSOZYOZQJV-IAGOWNOFSA-N 1 2 329.492 3.247 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H](C2CC2)C1 ZINC001122536755 1372268463 /nfs/dbraw/zinc/26/84/63/1372268463.db2.gz MCZQRSOZYOZQJV-IAGOWNOFSA-N 1 2 329.492 3.247 20 30 EGEDLO C=CCCC(=O)N1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C[C@@H]1C ZINC001123179524 1372393489 /nfs/dbraw/zinc/39/34/89/1372393489.db2.gz LKZDLAMZKRECIM-DZGCQCFKSA-N 1 2 328.460 3.031 20 30 EGEDLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC1=CC(=O)C[C@@H](C)C1 ZINC001210770457 1372423609 /nfs/dbraw/zinc/42/36/09/1372423609.db2.gz MMBPCSFEESCLIT-LBPRGKRZSA-N 1 2 326.400 3.133 20 30 EGEDLO Cc1cc(Nc2cccc(OCC[NH+]3CCOCC3)c2)ccc1C#N ZINC001210808121 1372430443 /nfs/dbraw/zinc/43/04/43/1372430443.db2.gz UQZQOXFTUCRLFD-UHFFFAOYSA-N 1 2 337.423 3.321 20 30 EGEDLO C=CCCC(=O)N(CCN(C)c1cc(C)[nH+]c(C2CC2)n1)C(C)C ZINC001125421914 1372784743 /nfs/dbraw/zinc/78/47/43/1372784743.db2.gz VVIBEYKLWZNNMA-UHFFFAOYSA-N 1 2 330.476 3.302 20 30 EGEDLO C#Cc1ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2F)cc1 ZINC001213487106 1372912664 /nfs/dbraw/zinc/91/26/64/1372912664.db2.gz GZEOVUNOFGAFGK-UHFFFAOYSA-N 1 2 340.398 3.262 20 30 EGEDLO C#CCCCCC(=O)N(CC)[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001126804888 1373030899 /nfs/dbraw/zinc/03/08/99/1373030899.db2.gz WQZBGDXXRUJBJZ-GOSISDBHSA-N 1 2 342.487 3.186 20 30 EGEDLO C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2nc(C3CC3)no2)C1 ZINC001215696893 1373233085 /nfs/dbraw/zinc/23/30/85/1373233085.db2.gz MZEPRUDCEGVUOI-UMVBOHGHSA-N 1 2 346.475 3.047 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)CCCCC(C)(C)C)c2C1 ZINC001128356179 1373256297 /nfs/dbraw/zinc/25/62/97/1373256297.db2.gz RZAAKQJQOJPJPZ-UHFFFAOYSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)CCCCC(C)(C)C)c2C1 ZINC001128356179 1373256306 /nfs/dbraw/zinc/25/63/06/1373256306.db2.gz RZAAKQJQOJPJPZ-UHFFFAOYSA-N 1 2 346.519 3.498 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCc1cnn2c1C[N@H+](CC/C=C\CC)CC2 ZINC001128431922 1373265997 /nfs/dbraw/zinc/26/59/97/1373265997.db2.gz OARKUUJODDLMJL-FPLPWBNLSA-N 1 2 344.503 3.274 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NCc1cnn2c1C[N@@H+](CC/C=C\CC)CC2 ZINC001128431922 1373265998 /nfs/dbraw/zinc/26/59/98/1373265998.db2.gz OARKUUJODDLMJL-FPLPWBNLSA-N 1 2 344.503 3.274 20 30 EGEDLO Cc1nc(Nc2cccc(C#N)c2C)cc(N2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC001216173635 1373274141 /nfs/dbraw/zinc/27/41/41/1373274141.db2.gz ZUHGBVGYRYGNCB-CHWSQXEVSA-N 1 2 337.427 3.322 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@]3(C)CC=C(C)CC3)c2C1 ZINC001128587176 1373294888 /nfs/dbraw/zinc/29/48/88/1373294888.db2.gz TWIOXCZXIKHUAC-FQEVSTJZSA-N 1 2 342.487 3.028 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@]3(C)CC=C(C)CC3)c2C1 ZINC001128587176 1373294890 /nfs/dbraw/zinc/29/48/90/1373294890.db2.gz TWIOXCZXIKHUAC-FQEVSTJZSA-N 1 2 342.487 3.028 20 30 EGEDLO CCCCCCCCOCC(=O)NCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC001129522396 1373393395 /nfs/dbraw/zinc/39/33/95/1373393395.db2.gz AHITUIHDTXLWGF-INIZCTEOSA-N 1 2 339.480 3.127 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CCCCC)C[C@@H](C)O2 ZINC001131634114 1373739360 /nfs/dbraw/zinc/73/93/60/1373739360.db2.gz UPGHVHJBFUVWEP-NVXWUHKLSA-N 1 2 328.884 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCCCC)C[C@@H](C)O2 ZINC001131634114 1373739364 /nfs/dbraw/zinc/73/93/64/1373739364.db2.gz UPGHVHJBFUVWEP-NVXWUHKLSA-N 1 2 328.884 3.011 20 30 EGEDLO CC(C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131752304 1373786345 /nfs/dbraw/zinc/78/63/45/1373786345.db2.gz PSJKJKBAPBBUIK-KDOFPFPSSA-N 1 2 331.435 3.213 20 30 EGEDLO CC(C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131752304 1373786350 /nfs/dbraw/zinc/78/63/50/1373786350.db2.gz PSJKJKBAPBBUIK-KDOFPFPSSA-N 1 2 331.435 3.213 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)CC(C)(C)C)CC[C@@H]1C ZINC001131817751 1373821136 /nfs/dbraw/zinc/82/11/36/1373821136.db2.gz QPRYIZQXNADGAW-STQMWFEESA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)CC(C)(C)C)CC[C@@H]1C ZINC001131817751 1373821146 /nfs/dbraw/zinc/82/11/46/1373821146.db2.gz QPRYIZQXNADGAW-STQMWFEESA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)/C=C/C(C)(C)C)CC[C@H]1C ZINC001131911055 1375041893 /nfs/dbraw/zinc/04/18/93/1375041893.db2.gz CEIWDQANQAOZCC-SJXIGLKTSA-N 1 2 343.309 3.466 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)/C=C/C(C)(C)C)CC[C@H]1C ZINC001131911055 1375041899 /nfs/dbraw/zinc/04/18/99/1375041899.db2.gz CEIWDQANQAOZCC-SJXIGLKTSA-N 1 2 343.309 3.466 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001131971005 1375075350 /nfs/dbraw/zinc/07/53/50/1375075350.db2.gz ALQGXONKTPEHOW-WBVHZDCISA-N 1 2 347.890 3.398 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cccc(Cl)n2)C1 ZINC001131971005 1375075355 /nfs/dbraw/zinc/07/53/55/1375075355.db2.gz ALQGXONKTPEHOW-WBVHZDCISA-N 1 2 347.890 3.398 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)sc2C)C1 ZINC001131972015 1375076816 /nfs/dbraw/zinc/07/68/16/1375076816.db2.gz OPOZVRGKEVQHPV-RHSMWYFYSA-N 1 2 347.528 3.423 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2nc(C)sc2C)C1 ZINC001131972015 1375076821 /nfs/dbraw/zinc/07/68/21/1375076821.db2.gz OPOZVRGKEVQHPV-RHSMWYFYSA-N 1 2 347.528 3.423 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1ccc(F)cc1Cl ZINC001132045305 1375114940 /nfs/dbraw/zinc/11/49/40/1375114940.db2.gz DLVZCQBRCRRKSX-GUYCJALGSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1ccc(F)cc1Cl ZINC001132045305 1375114942 /nfs/dbraw/zinc/11/49/42/1375114942.db2.gz DLVZCQBRCRRKSX-GUYCJALGSA-N 1 2 348.849 3.362 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001132064014 1375127076 /nfs/dbraw/zinc/12/70/76/1375127076.db2.gz CNSZEBVQJWHMDC-CVEARBPZSA-N 1 2 345.487 3.379 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2noc3c2CCCC3)C1 ZINC001132064014 1375127079 /nfs/dbraw/zinc/12/70/79/1375127079.db2.gz CNSZEBVQJWHMDC-CVEARBPZSA-N 1 2 345.487 3.379 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2(C(F)(F)F)CCC2)CC[C@@H]1C ZINC001132131841 1375163028 /nfs/dbraw/zinc/16/30/28/1375163028.db2.gz KTWPFAVBCPASTH-RYUDHWBXSA-N 1 2 338.801 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2(C(F)(F)F)CCC2)CC[C@@H]1C ZINC001132131841 1375163029 /nfs/dbraw/zinc/16/30/29/1375163029.db2.gz KTWPFAVBCPASTH-RYUDHWBXSA-N 1 2 338.801 3.441 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001132217637 1375214849 /nfs/dbraw/zinc/21/48/49/1375214849.db2.gz FDKYNHWLOYMLJG-CABCVRRESA-N 1 2 345.487 3.235 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2noc3c2CCCC3)C1 ZINC001132217637 1375214851 /nfs/dbraw/zinc/21/48/51/1375214851.db2.gz FDKYNHWLOYMLJG-CABCVRRESA-N 1 2 345.487 3.235 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001132228018 1375222772 /nfs/dbraw/zinc/22/27/72/1375222772.db2.gz KRFIPGQHOMGOIM-JKSUJKDBSA-N 1 2 332.492 3.145 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001132228018 1375222775 /nfs/dbraw/zinc/22/27/75/1375222775.db2.gz KRFIPGQHOMGOIM-JKSUJKDBSA-N 1 2 332.492 3.145 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=C)Br)C1 ZINC001132255646 1375249789 /nfs/dbraw/zinc/24/97/89/1375249789.db2.gz CQSJYWHQLSQZLG-UONOGXRCSA-N 1 2 329.282 3.220 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=C)Br)C1 ZINC001132255646 1375249790 /nfs/dbraw/zinc/24/97/90/1375249790.db2.gz CQSJYWHQLSQZLG-UONOGXRCSA-N 1 2 329.282 3.220 20 30 EGEDLO C=C(C)CCC(=O)NC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC001227588801 1375448210 /nfs/dbraw/zinc/44/82/10/1375448210.db2.gz XCDCPGLXKXWMAJ-UHFFFAOYSA-N 1 2 327.881 3.233 20 30 EGEDLO COc1c(F)ccc(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1F ZINC001227889518 1375487412 /nfs/dbraw/zinc/48/74/12/1375487412.db2.gz KHMOSSHSRSGBHD-HNNXBMFYSA-N 1 2 344.361 3.498 20 30 EGEDLO COc1c(F)ccc(O[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1F ZINC001227889518 1375487422 /nfs/dbraw/zinc/48/74/22/1375487422.db2.gz KHMOSSHSRSGBHD-HNNXBMFYSA-N 1 2 344.361 3.498 20 30 EGEDLO C=CC(C)(C)C(=O)NC1CC[NH+]([C@H](C)c2nnc(CC(C)C)o2)CC1 ZINC001228631172 1375622555 /nfs/dbraw/zinc/62/25/55/1375622555.db2.gz FQWIGCMWCXFUNJ-CQSZACIVSA-N 1 2 348.491 3.122 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001228747875 1375659823 /nfs/dbraw/zinc/65/98/23/1375659823.db2.gz HBCLNJCIJCAULC-CABCVRRESA-N 1 2 343.446 3.236 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC001228747579 1375660284 /nfs/dbraw/zinc/66/02/84/1375660284.db2.gz CRBPXODSJGFHGP-UONOGXRCSA-N 1 2 331.460 3.091 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC1CC[NH+]([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC001229016964 1375738278 /nfs/dbraw/zinc/73/82/78/1375738278.db2.gz OOYYBCKPUVTDHG-ORAYPTAESA-N 1 2 346.475 3.191 20 30 EGEDLO CCC[N@@H+]1CCO[C@@H]2c3cc(O[C@@H]4CC[C@@H](C#N)C4)ccc3OC[C@H]21 ZINC001230424991 1376026218 /nfs/dbraw/zinc/02/62/18/1376026218.db2.gz YJJIMGPRGWRXOQ-YZDADXEPSA-N 1 2 342.439 3.302 20 30 EGEDLO CCC[N@H+]1CCO[C@@H]2c3cc(O[C@@H]4CC[C@@H](C#N)C4)ccc3OC[C@H]21 ZINC001230424991 1376026225 /nfs/dbraw/zinc/02/62/25/1376026225.db2.gz YJJIMGPRGWRXOQ-YZDADXEPSA-N 1 2 342.439 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+](CCCNC(=O)/C=C(/C)C1CC1)Cc1cccnc1 ZINC001230699577 1376127905 /nfs/dbraw/zinc/12/79/05/1376127905.db2.gz CPIYVWQTFZWKHZ-PTNGSMBKSA-N 1 2 347.890 3.499 20 30 EGEDLO C=C(Cl)C[N@H+](CCCNC(=O)/C=C(/C)C1CC1)Cc1cccnc1 ZINC001230699577 1376127907 /nfs/dbraw/zinc/12/79/07/1376127907.db2.gz CPIYVWQTFZWKHZ-PTNGSMBKSA-N 1 2 347.890 3.499 20 30 EGEDLO CC[C@@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC001230806006 1376154347 /nfs/dbraw/zinc/15/43/47/1376154347.db2.gz BJYNLOQDTZECQI-CRAIPNDOSA-N 1 2 332.875 3.270 20 30 EGEDLO CC[C@@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001230806006 1376154351 /nfs/dbraw/zinc/15/43/51/1376154351.db2.gz BJYNLOQDTZECQI-CRAIPNDOSA-N 1 2 332.875 3.270 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccc(OCC)nc1)CCO2 ZINC001231653775 1376294653 /nfs/dbraw/zinc/29/46/53/1376294653.db2.gz WVCCTJVBLCWQOG-UYAOXDASSA-N 1 2 346.471 3.054 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1ccc(OCC)nc1)CCO2 ZINC001231653775 1376294657 /nfs/dbraw/zinc/29/46/57/1376294657.db2.gz WVCCTJVBLCWQOG-UYAOXDASSA-N 1 2 346.471 3.054 20 30 EGEDLO Cc1ccc(N2CC[NH+](Cc3ccc(C#N)c(Cl)c3)CC2)nc1 ZINC001232115577 1376402429 /nfs/dbraw/zinc/40/24/29/1376402429.db2.gz VIKLZNDFUZJNTG-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232673491 1376499015 /nfs/dbraw/zinc/49/90/15/1376499015.db2.gz IADGDFBQASCJJB-CQSZACIVSA-N 1 2 345.443 3.095 20 30 EGEDLO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232673491 1376499017 /nfs/dbraw/zinc/49/90/17/1376499017.db2.gz IADGDFBQASCJJB-CQSZACIVSA-N 1 2 345.443 3.095 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232679666 1376499831 /nfs/dbraw/zinc/49/98/31/1376499831.db2.gz QKWKYSVDAGEAMS-OAHLLOKOSA-N 1 2 345.443 3.001 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232679666 1376499835 /nfs/dbraw/zinc/49/98/35/1376499835.db2.gz QKWKYSVDAGEAMS-OAHLLOKOSA-N 1 2 345.443 3.001 20 30 EGEDLO CC(C)c1noc([C@H]2CCC[N@H+](Cc3cc(C#N)ccc3O)C2)n1 ZINC001232679073 1376500990 /nfs/dbraw/zinc/50/09/90/1376500990.db2.gz ZMGPNTZUBOKQKT-AWEZNQCLSA-N 1 2 326.400 3.150 20 30 EGEDLO CC(C)c1noc([C@H]2CCC[N@@H+](Cc3cc(C#N)ccc3O)C2)n1 ZINC001232679073 1376500996 /nfs/dbraw/zinc/50/09/96/1376500996.db2.gz ZMGPNTZUBOKQKT-AWEZNQCLSA-N 1 2 326.400 3.150 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)ccc1Br ZINC001232893666 1376535545 /nfs/dbraw/zinc/53/55/45/1376535545.db2.gz LMVIZKBTPFOQCM-XJKSGUPXSA-N 1 2 335.245 3.322 20 30 EGEDLO N#Cc1cc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)ccc1Br ZINC001232893666 1376535547 /nfs/dbraw/zinc/53/55/47/1376535547.db2.gz LMVIZKBTPFOQCM-XJKSGUPXSA-N 1 2 335.245 3.322 20 30 EGEDLO N#Cc1cc[nH]c1C[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC001233043324 1376560436 /nfs/dbraw/zinc/56/04/36/1376560436.db2.gz OKWRPSXBLFVOLP-UHFFFAOYSA-N 1 2 349.356 3.389 20 30 EGEDLO CCCC[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001234049386 1376759381 /nfs/dbraw/zinc/75/93/81/1376759381.db2.gz HKKIVALDQCJWIA-CABCVRRESA-N 1 2 333.501 3.479 20 30 EGEDLO CCCC[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001234049386 1376759384 /nfs/dbraw/zinc/75/93/84/1376759384.db2.gz HKKIVALDQCJWIA-CABCVRRESA-N 1 2 333.501 3.479 20 30 EGEDLO CC/C(C)=C/C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001234141441 1376776527 /nfs/dbraw/zinc/77/65/27/1376776527.db2.gz OPHQKGKUQKMBEC-ZGUWOUCSSA-N 1 2 329.419 3.086 20 30 EGEDLO CC/C(C)=C/C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001234141441 1376776530 /nfs/dbraw/zinc/77/65/30/1376776530.db2.gz OPHQKGKUQKMBEC-ZGUWOUCSSA-N 1 2 329.419 3.086 20 30 EGEDLO COc1cc(F)c(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1F ZINC001234269640 1376796608 /nfs/dbraw/zinc/79/66/08/1376796608.db2.gz CYUBDCFGULPKBC-OAHLLOKOSA-N 1 2 344.361 3.498 20 30 EGEDLO COc1cc(F)c(O[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cc1F ZINC001234269640 1376796611 /nfs/dbraw/zinc/79/66/11/1376796611.db2.gz CYUBDCFGULPKBC-OAHLLOKOSA-N 1 2 344.361 3.498 20 30 EGEDLO CC(C)CC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)CC1 ZINC001235191422 1376858486 /nfs/dbraw/zinc/85/84/86/1376858486.db2.gz HLUQGFRNTOQANO-FQEVSTJZSA-N 1 2 338.495 3.397 20 30 EGEDLO CC(C)CC1(C(=O)N(C)C[C@@H]2CC[N@H+]2CC#Cc2ccccc2)CC1 ZINC001235191422 1376858495 /nfs/dbraw/zinc/85/84/95/1376858495.db2.gz HLUQGFRNTOQANO-FQEVSTJZSA-N 1 2 338.495 3.397 20 30 EGEDLO CC(=O)N(C(C)C)C1CC[NH+](Cc2c(F)cc(C#N)cc2F)CC1 ZINC001235666095 1376882577 /nfs/dbraw/zinc/88/25/77/1376882577.db2.gz IRZZIPUTJRLWTN-UHFFFAOYSA-N 1 2 335.398 3.058 20 30 EGEDLO C=C(C)COc1ccccc1C[NH+]1CCC(C#N)(C(=O)OCC)CC1 ZINC001138666015 1377765175 /nfs/dbraw/zinc/76/51/75/1377765175.db2.gz FMYATUQWGWDODK-UHFFFAOYSA-N 1 2 342.439 3.310 20 30 EGEDLO C=CCOc1ccccc1C[N@@H+]1CCn2cnc(COCC)c2C1 ZINC001139031828 1377820394 /nfs/dbraw/zinc/82/03/94/1377820394.db2.gz DBSDBVSAYQTFMF-UHFFFAOYSA-N 1 2 327.428 3.000 20 30 EGEDLO C=CCOc1ccccc1C[N@H+]1CCn2cnc(COCC)c2C1 ZINC001139031828 1377820395 /nfs/dbraw/zinc/82/03/95/1377820395.db2.gz DBSDBVSAYQTFMF-UHFFFAOYSA-N 1 2 327.428 3.000 20 30 EGEDLO CCCC[N@H+](CCC#N)Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC001139382266 1377876732 /nfs/dbraw/zinc/87/67/32/1377876732.db2.gz ZZABPIQRGLUGPQ-IAGOWNOFSA-N 1 2 330.476 3.211 20 30 EGEDLO CCCC[N@@H+](CCC#N)Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC001139382266 1377876739 /nfs/dbraw/zinc/87/67/39/1377876739.db2.gz ZZABPIQRGLUGPQ-IAGOWNOFSA-N 1 2 330.476 3.211 20 30 EGEDLO Cn1cc(C[N@H+](C)Cc2ccc(Oc3ccc(C#N)cc3)nc2)cn1 ZINC001139424025 1377881901 /nfs/dbraw/zinc/88/19/01/1377881901.db2.gz MCIJSURKLSIBDR-UHFFFAOYSA-N 1 2 333.395 3.111 20 30 EGEDLO Cn1cc(C[N@@H+](C)Cc2ccc(Oc3ccc(C#N)cc3)nc2)cn1 ZINC001139424025 1377881905 /nfs/dbraw/zinc/88/19/05/1377881905.db2.gz MCIJSURKLSIBDR-UHFFFAOYSA-N 1 2 333.395 3.111 20 30 EGEDLO N#Cc1ccc(Oc2ccc(C[N@@H+]3CCOC[C@@H]3C3CC3)cn2)cc1 ZINC001139428284 1377883592 /nfs/dbraw/zinc/88/35/92/1377883592.db2.gz IKBMFCVFWJQQGT-LJQANCHMSA-N 1 2 335.407 3.356 20 30 EGEDLO N#Cc1ccc(Oc2ccc(C[N@H+]3CCOC[C@@H]3C3CC3)cn2)cc1 ZINC001139428284 1377883595 /nfs/dbraw/zinc/88/35/95/1377883595.db2.gz IKBMFCVFWJQQGT-LJQANCHMSA-N 1 2 335.407 3.356 20 30 EGEDLO CC(C)(C)OC(=O)NCC1(C)C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001139531209 1377898856 /nfs/dbraw/zinc/89/88/56/1377898856.db2.gz QSYYSAYFZRIARL-UHFFFAOYSA-N 1 2 333.407 3.044 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C[N@@H+]2Cc2cc(C#N)ccc2F)C1 ZINC001139646001 1377925021 /nfs/dbraw/zinc/92/50/21/1377925021.db2.gz IRUNFWSHHQWHDH-RDJZCZTQSA-N 1 2 345.418 3.139 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C[N@H+]2Cc2cc(C#N)ccc2F)C1 ZINC001139646001 1377925024 /nfs/dbraw/zinc/92/50/24/1377925024.db2.gz IRUNFWSHHQWHDH-RDJZCZTQSA-N 1 2 345.418 3.139 20 30 EGEDLO C=CCn1cc(C[NH+]2CCN(c3cc(Cl)ccc3OC)CC2)cn1 ZINC001139773113 1377948539 /nfs/dbraw/zinc/94/85/39/1377948539.db2.gz YYHHZMXBIKYDMV-UHFFFAOYSA-N 1 2 346.862 3.053 20 30 EGEDLO C=CCOC(=O)N1CC[NH+](Cc2ccc(F)c3ccccc23)CC1 ZINC001139893307 1377973137 /nfs/dbraw/zinc/97/31/37/1377973137.db2.gz OQSANERTSUTZMR-UHFFFAOYSA-N 1 2 328.387 3.419 20 30 EGEDLO C#C[C@H]1CCC[N@@H+](Cc2c(F)cccc2I)C1 ZINC001140091100 1378005803 /nfs/dbraw/zinc/00/58/03/1378005803.db2.gz FCNOCAWYDXJJQY-NSHDSACASA-N 1 2 343.183 3.276 20 30 EGEDLO C#C[C@H]1CCC[N@H+](Cc2c(F)cccc2I)C1 ZINC001140091100 1378005805 /nfs/dbraw/zinc/00/58/05/1378005805.db2.gz FCNOCAWYDXJJQY-NSHDSACASA-N 1 2 343.183 3.276 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140600350 1378095173 /nfs/dbraw/zinc/09/51/73/1378095173.db2.gz IHRJVTDQEDCWAH-AWEZNQCLSA-N 1 2 335.835 3.311 20 30 EGEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140600350 1378095175 /nfs/dbraw/zinc/09/51/75/1378095175.db2.gz IHRJVTDQEDCWAH-AWEZNQCLSA-N 1 2 335.835 3.311 20 30 EGEDLO C[C@@]1(O)CC[N@H+](Cc2ccc(C#Cc3ccccc3)s2)C[C@@H]1F ZINC001141972275 1378400325 /nfs/dbraw/zinc/40/03/25/1378400325.db2.gz DZRMUQFAZTVOEB-RBUKOAKNSA-N 1 2 329.440 3.443 20 30 EGEDLO C[C@@]1(O)CC[N@@H+](Cc2ccc(C#Cc3ccccc3)s2)C[C@@H]1F ZINC001141972275 1378400326 /nfs/dbraw/zinc/40/03/26/1378400326.db2.gz DZRMUQFAZTVOEB-RBUKOAKNSA-N 1 2 329.440 3.443 20 30 EGEDLO C#Cc1ccc(CNC(=O)/C=C/c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001142372890 1378436621 /nfs/dbraw/zinc/43/66/21/1378436621.db2.gz YMRCKLLRHMJFBF-VAWYXSNFSA-N 1 2 341.414 3.242 20 30 EGEDLO N#Cc1cc(NC(=O)/C=C/c2ccc(Cn3cc[nH+]c3)cc2)ccc1O ZINC001142370258 1378436773 /nfs/dbraw/zinc/43/67/73/1378436773.db2.gz RRGRCZOWLYYYKW-VMPITWQZSA-N 1 2 344.374 3.161 20 30 EGEDLO Cc1cccc(O[C@@H]2CC[N@H+](Cc3c(F)ccc(C#N)c3F)C2)n1 ZINC001143178551 1378554569 /nfs/dbraw/zinc/55/45/69/1378554569.db2.gz HKWMAIOFQCRQJL-CQSZACIVSA-N 1 2 329.350 3.193 20 30 EGEDLO Cc1cccc(O[C@@H]2CC[N@@H+](Cc3c(F)ccc(C#N)c3F)C2)n1 ZINC001143178551 1378554576 /nfs/dbraw/zinc/55/45/76/1378554576.db2.gz HKWMAIOFQCRQJL-CQSZACIVSA-N 1 2 329.350 3.193 20 30 EGEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC001143731001 1378639389 /nfs/dbraw/zinc/63/93/89/1378639389.db2.gz JSQSPVFWEOFQFN-UHFFFAOYSA-N 1 2 331.847 3.189 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1nc(C)c(C)s1)CCO2 ZINC001144366946 1378720702 /nfs/dbraw/zinc/72/07/02/1378720702.db2.gz JEIPSHXANQLVSZ-SJLPKXTDSA-N 1 2 336.501 3.334 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1nc(C)c(C)s1)CCO2 ZINC001144366946 1378720706 /nfs/dbraw/zinc/72/07/06/1378720706.db2.gz JEIPSHXANQLVSZ-SJLPKXTDSA-N 1 2 336.501 3.334 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)CC(C)(C)CC)C2)C1 ZINC001147616241 1379050990 /nfs/dbraw/zinc/05/09/90/1379050990.db2.gz AKOADWKESJHJHD-UHFFFAOYSA-N 1 2 343.309 3.256 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)CC(C)(C)CC)C2)C1 ZINC001147616241 1379050995 /nfs/dbraw/zinc/05/09/95/1379050995.db2.gz AKOADWKESJHJHD-UHFFFAOYSA-N 1 2 343.309 3.256 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C/Cl)C2 ZINC001148088136 1379114209 /nfs/dbraw/zinc/11/42/09/1379114209.db2.gz IOXKYBMRLUIUJO-RBVCKMPFSA-N 1 2 331.287 3.298 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](C/C(Cl)=C/Cl)C2 ZINC001148088136 1379114213 /nfs/dbraw/zinc/11/42/13/1379114213.db2.gz IOXKYBMRLUIUJO-RBVCKMPFSA-N 1 2 331.287 3.298 20 30 EGEDLO C=CCCCC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1nc(C(C)C)no1)C2 ZINC001148181587 1379129645 /nfs/dbraw/zinc/12/96/45/1379129645.db2.gz PVCJTQKQEKMPJJ-OAHLLOKOSA-N 1 2 346.475 3.145 20 30 EGEDLO C=CCCCC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1nc(C(C)C)no1)C2 ZINC001148181587 1379129646 /nfs/dbraw/zinc/12/96/46/1379129646.db2.gz PVCJTQKQEKMPJJ-OAHLLOKOSA-N 1 2 346.475 3.145 20 30 EGEDLO C[C@@H](C#N)c1cccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)c1 ZINC001148616691 1379226097 /nfs/dbraw/zinc/22/60/97/1379226097.db2.gz ABGLSHKZTJZKFB-WMLDXEAASA-N 1 2 347.409 3.259 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)/C=C/c1ccco1 ZINC001151596967 1379743521 /nfs/dbraw/zinc/74/35/21/1379743521.db2.gz HNIZFAGNOCKDBU-SBDDDAINSA-N 1 2 341.249 3.028 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)/C=C/c1ccco1 ZINC001151596967 1379743523 /nfs/dbraw/zinc/74/35/23/1379743523.db2.gz HNIZFAGNOCKDBU-SBDDDAINSA-N 1 2 341.249 3.028 20 30 EGEDLO C=C[C@H](CC(=O)NCC[NH2+]Cc1ncc(C2CC2)o1)c1ccccc1 ZINC001151943346 1379821570 /nfs/dbraw/zinc/82/15/70/1379821570.db2.gz WZPUFUQKPJNEAS-OAHLLOKOSA-N 1 2 339.439 3.118 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C1=CCCC1 ZINC001152734112 1379977217 /nfs/dbraw/zinc/97/72/17/1379977217.db2.gz MTXPZULXDRXDPF-CQSZACIVSA-N 1 2 329.419 3.134 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C1=CCCC1 ZINC001152734112 1379977218 /nfs/dbraw/zinc/97/72/18/1379977218.db2.gz MTXPZULXDRXDPF-CQSZACIVSA-N 1 2 329.419 3.134 20 30 EGEDLO CCCCc1nc(C[N@H+](CC)[C@H](C)CNC(=O)C#CC(C)C)cs1 ZINC001153215121 1380037557 /nfs/dbraw/zinc/03/75/57/1380037557.db2.gz SSPKPKHTQKOJLO-MRXNPFEDSA-N 1 2 349.544 3.472 20 30 EGEDLO CCCCc1nc(C[N@@H+](CC)[C@H](C)CNC(=O)C#CC(C)C)cs1 ZINC001153215121 1380037562 /nfs/dbraw/zinc/03/75/62/1380037562.db2.gz SSPKPKHTQKOJLO-MRXNPFEDSA-N 1 2 349.544 3.472 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1nc(C)c(C)o1 ZINC001153588448 1380099149 /nfs/dbraw/zinc/09/91/49/1380099149.db2.gz VGXICJGKJLYLRC-LLVKDONJSA-N 1 2 341.883 3.397 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc(C)c(C)o1 ZINC001153588448 1380099151 /nfs/dbraw/zinc/09/91/51/1380099151.db2.gz VGXICJGKJLYLRC-LLVKDONJSA-N 1 2 341.883 3.397 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)CC(C)=C(C)C ZINC001154639142 1380322145 /nfs/dbraw/zinc/32/21/45/1380322145.db2.gz AFGHPSDQJNUXKD-CQSZACIVSA-N 1 2 331.298 3.468 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)CC(C)=C(C)C ZINC001154639142 1380322149 /nfs/dbraw/zinc/32/21/49/1380322149.db2.gz AFGHPSDQJNUXKD-CQSZACIVSA-N 1 2 331.298 3.468 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1csc(CC)n1 ZINC001154751260 1380345770 /nfs/dbraw/zinc/34/57/70/1380345770.db2.gz SJHDLZOSQJVTSZ-OAHLLOKOSA-N 1 2 335.517 3.226 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1csc(CC)n1 ZINC001154751260 1380345773 /nfs/dbraw/zinc/34/57/73/1380345773.db2.gz SJHDLZOSQJVTSZ-OAHLLOKOSA-N 1 2 335.517 3.226 20 30 EGEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCc4nn(-c5ccccc5)cc4C3)c12 ZINC001154862070 1380367233 /nfs/dbraw/zinc/36/72/33/1380367233.db2.gz LTXXSHSMSCJECJ-UHFFFAOYSA-N 1 2 340.390 3.183 20 30 EGEDLO C=CCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(F)ccc1C#N ZINC001154957993 1380381275 /nfs/dbraw/zinc/38/12/75/1380381275.db2.gz UNTZNCVWUSEDRL-OAHLLOKOSA-N 1 2 331.435 3.380 20 30 EGEDLO C=CCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(F)ccc1C#N ZINC001154957993 1380381276 /nfs/dbraw/zinc/38/12/76/1380381276.db2.gz UNTZNCVWUSEDRL-OAHLLOKOSA-N 1 2 331.435 3.380 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)c1ccco1 ZINC001155199847 1380424068 /nfs/dbraw/zinc/42/40/68/1380424068.db2.gz KWMJLUJVYHMGAN-OLZOCXBDSA-N 1 2 343.265 3.118 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)c1ccco1 ZINC001155199847 1380424069 /nfs/dbraw/zinc/42/40/69/1380424069.db2.gz KWMJLUJVYHMGAN-OLZOCXBDSA-N 1 2 343.265 3.118 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1noc2c1CCCC2 ZINC001155489738 1380459885 /nfs/dbraw/zinc/45/98/85/1380459885.db2.gz KRRSDLCJKSJHFP-OAHLLOKOSA-N 1 2 347.503 3.482 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1noc2c1CCCC2 ZINC001155489738 1380459886 /nfs/dbraw/zinc/45/98/86/1380459886.db2.gz KRRSDLCJKSJHFP-OAHLLOKOSA-N 1 2 347.503 3.482 20 30 EGEDLO Cc1ccc([C@@H](C#N)c2ccc(NCc3cc[nH+]c(N)c3)nn2)cc1 ZINC001156756476 1380627244 /nfs/dbraw/zinc/62/72/44/1380627244.db2.gz ZFVBRHPXZAOGTN-MRXNPFEDSA-N 1 2 330.395 3.030 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)C1CC1 ZINC001157146020 1380785732 /nfs/dbraw/zinc/78/57/32/1380785732.db2.gz NLQIPGBWHAEYOL-DGCLKSJQSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)C1CC1 ZINC001157146020 1380785738 /nfs/dbraw/zinc/78/57/38/1380785738.db2.gz NLQIPGBWHAEYOL-DGCLKSJQSA-N 1 2 331.298 3.158 20 30 EGEDLO CC#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nc(C)cs1 ZINC001158348917 1381211278 /nfs/dbraw/zinc/21/12/78/1381211278.db2.gz AGIFVFADASRKSQ-QGZVFWFLSA-N 1 2 347.528 3.458 20 30 EGEDLO CC#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nc(C)cs1 ZINC001158348917 1381211291 /nfs/dbraw/zinc/21/12/91/1381211291.db2.gz AGIFVFADASRKSQ-QGZVFWFLSA-N 1 2 347.528 3.458 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nccc(C)n1 ZINC001158370311 1381222211 /nfs/dbraw/zinc/22/22/11/1381222211.db2.gz UMKYAGUXDWIWMY-QZTJIDSGSA-N 1 2 344.503 3.200 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nccc(C)n1 ZINC001158370311 1381222221 /nfs/dbraw/zinc/22/22/21/1381222221.db2.gz UMKYAGUXDWIWMY-QZTJIDSGSA-N 1 2 344.503 3.200 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@@H](C)c1nnc(CC)o1 ZINC001158427196 1381242569 /nfs/dbraw/zinc/24/25/69/1381242569.db2.gz TZGDAWCLQJOPEU-JKSUJKDBSA-N 1 2 348.491 3.362 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@@H](C)c1nnc(CC)o1 ZINC001158427196 1381242574 /nfs/dbraw/zinc/24/25/74/1381242574.db2.gz TZGDAWCLQJOPEU-JKSUJKDBSA-N 1 2 348.491 3.362 20 30 EGEDLO C=CCOC(=O)N[C@H]1CCCN(c2cc(C)c3ccccc3[nH+]2)C1 ZINC001158911128 1381459998 /nfs/dbraw/zinc/45/99/98/1381459998.db2.gz JUAYJLYCDLSEBV-HNNXBMFYSA-N 1 2 325.412 3.424 20 30 EGEDLO C=C(C)CCC(=O)NCCC[NH2+]Cc1noc(C2CCCCC2)n1 ZINC001159021268 1381513590 /nfs/dbraw/zinc/51/35/90/1381513590.db2.gz ONIVKGBJTUHNLG-UHFFFAOYSA-N 1 2 334.464 3.070 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)[C@H](C)CC)CC1 ZINC001159324820 1381761801 /nfs/dbraw/zinc/76/18/01/1381761801.db2.gz CFROYTWEPVTAQV-GFCCVEGCSA-N 1 2 329.282 3.080 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)[C@H](C)CC)CC1 ZINC001159324820 1381761802 /nfs/dbraw/zinc/76/18/02/1381761802.db2.gz CFROYTWEPVTAQV-GFCCVEGCSA-N 1 2 329.282 3.080 20 30 EGEDLO C=CCOc1ccccc1[C@@H](C)Nc1ccc(Cn2cncn2)c[nH+]1 ZINC001160182530 1382027317 /nfs/dbraw/zinc/02/73/17/1382027317.db2.gz FZHLEFPGJHVSQH-OAHLLOKOSA-N 1 2 335.411 3.459 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@H+](Cc2nccs2)CC1 ZINC001160242242 1382045025 /nfs/dbraw/zinc/04/50/25/1382045025.db2.gz HVEWWTKFBZJOGF-UHFFFAOYSA-N 1 2 333.501 3.384 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@@H+](Cc2nccs2)CC1 ZINC001160242242 1382045035 /nfs/dbraw/zinc/04/50/35/1382045035.db2.gz HVEWWTKFBZJOGF-UHFFFAOYSA-N 1 2 333.501 3.384 20 30 EGEDLO C#CCCN1CCC[C@H](Nc2[nH+]ccc3cc(Cl)ccc32)C1=O ZINC001160898774 1382227156 /nfs/dbraw/zinc/22/71/56/1382227156.db2.gz STFVYXDKHLXGMR-INIZCTEOSA-N 1 2 327.815 3.314 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@H+](Cc2nccs2)CC1 ZINC001160961087 1382251952 /nfs/dbraw/zinc/25/19/52/1382251952.db2.gz IWVPIGHNTQGYFP-OAHLLOKOSA-N 1 2 333.501 3.384 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@@H+](Cc2nccs2)CC1 ZINC001160961087 1382251957 /nfs/dbraw/zinc/25/19/57/1382251957.db2.gz IWVPIGHNTQGYFP-OAHLLOKOSA-N 1 2 333.501 3.384 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@H+](Cc2coc(C)n2)CC1 ZINC001160990573 1382263779 /nfs/dbraw/zinc/26/37/79/1382263779.db2.gz CIFPSNTZUYWOIN-MRXNPFEDSA-N 1 2 331.460 3.224 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@@H+](Cc2coc(C)n2)CC1 ZINC001160990573 1382263782 /nfs/dbraw/zinc/26/37/82/1382263782.db2.gz CIFPSNTZUYWOIN-MRXNPFEDSA-N 1 2 331.460 3.224 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2CC)CC1 ZINC001161271759 1382357439 /nfs/dbraw/zinc/35/74/39/1382357439.db2.gz YVZFCQZPUMSFAF-HUUCEWRRSA-N 1 2 341.293 3.080 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2CC)CC1 ZINC001161271759 1382357442 /nfs/dbraw/zinc/35/74/42/1382357442.db2.gz YVZFCQZPUMSFAF-HUUCEWRRSA-N 1 2 341.293 3.080 20 30 EGEDLO CCN(CC)C(=O)c1ccc(CCNc2cc(CC#N)cc[nH+]2)cc1 ZINC001162687959 1382833932 /nfs/dbraw/zinc/83/39/32/1382833932.db2.gz ZIGUOLFRFJDNSI-UHFFFAOYSA-N 1 2 336.439 3.284 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCCC[NH2+]Cc1noc(C2CCCCC2)n1 ZINC001164223936 1383167982 /nfs/dbraw/zinc/16/79/82/1383167982.db2.gz YIWWFHAATWGSPH-GJZGRUSLSA-N 1 2 348.491 3.171 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCCC[NH2+]Cc1noc(C2CCCCC2)n1 ZINC001165930409 1383366752 /nfs/dbraw/zinc/36/67/52/1383366752.db2.gz XOBXHARXAHUKFX-LJQANCHMSA-N 1 2 348.491 3.316 20 30 EGEDLO N#Cc1ccc(CCNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC001300739967 1383678643 /nfs/dbraw/zinc/67/86/43/1383678643.db2.gz XDECJZWKVSZSSR-LJQANCHMSA-N 1 2 344.418 3.162 20 30 EGEDLO C[C@@H](NC(=O)c1ccc(CC#N)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001306755349 1383902818 /nfs/dbraw/zinc/90/28/18/1383902818.db2.gz VZUNVORXPFODMX-OAHLLOKOSA-N 1 2 330.391 3.429 20 30 EGEDLO N#Cc1c(Br)ccnc1NCCc1cn2ccccc2[nH+]1 ZINC001169004739 1384085571 /nfs/dbraw/zinc/08/55/71/1384085571.db2.gz PZGJJNPKZSIART-UHFFFAOYSA-N 1 2 342.200 3.018 20 30 EGEDLO CNC(=O)c1ccc(C[N@H+](Cc2cccc(F)c2C#N)C2CC2)cc1 ZINC001308614704 1384136312 /nfs/dbraw/zinc/13/63/12/1384136312.db2.gz DMUYLIDRJDICTR-UHFFFAOYSA-N 1 2 337.398 3.222 20 30 EGEDLO CNC(=O)c1ccc(C[N@@H+](Cc2cccc(F)c2C#N)C2CC2)cc1 ZINC001308614704 1384136314 /nfs/dbraw/zinc/13/63/14/1384136314.db2.gz DMUYLIDRJDICTR-UHFFFAOYSA-N 1 2 337.398 3.222 20 30 EGEDLO CCc1cc(OC)ccc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001308649124 1384139103 /nfs/dbraw/zinc/13/91/03/1384139103.db2.gz GVSRQYQWNGVEDS-UHFFFAOYSA-N 1 2 349.478 3.447 20 30 EGEDLO Cc1c(NC(=O)C(C)(C)C)cc[nH+]c1NC=CC(=O)C(F)(F)F ZINC001169473240 1384151539 /nfs/dbraw/zinc/15/15/39/1384151539.db2.gz HMAVKWRNWOPACN-SOFGYWHQSA-N 1 2 329.322 3.432 20 30 EGEDLO N#CCc1cccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC001310746408 1384237114 /nfs/dbraw/zinc/23/71/14/1384237114.db2.gz CZSCLSVKGLPDQB-UHFFFAOYSA-N 1 2 331.379 3.260 20 30 EGEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21 ZINC001171211453 1384469551 /nfs/dbraw/zinc/46/95/51/1384469551.db2.gz ZVFZMENKYIJAQN-OLMNPRSZSA-N 1 2 341.455 3.183 20 30 EGEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21 ZINC001171211453 1384469554 /nfs/dbraw/zinc/46/95/54/1384469554.db2.gz ZVFZMENKYIJAQN-OLMNPRSZSA-N 1 2 341.455 3.183 20 30 EGEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172302189 1384763865 /nfs/dbraw/zinc/76/38/65/1384763865.db2.gz FVRYHNSNLPCQQT-UTKZUKDTSA-N 1 2 348.446 3.419 20 30 EGEDLO C=CC[C@H]([NH2+][C@@H](C)Cc1ccc(OC(F)(F)F)cc1)C(=O)OC ZINC001173077377 1384908491 /nfs/dbraw/zinc/90/84/91/1384908491.db2.gz FMTFLMMASKJLFM-FZMZJTMJSA-N 1 2 331.334 3.224 20 30 EGEDLO COC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CCC(CC#N)CC1 ZINC001173325033 1384958272 /nfs/dbraw/zinc/95/82/72/1384958272.db2.gz ZHYBHRMGQVRQPL-IMRCBTMISA-N 1 2 334.847 3.486 20 30 EGEDLO COc1ccc(C(=O)N2CCC([NH2+]C3(C#N)CCCCC3)CC2)cc1 ZINC001173400964 1384966685 /nfs/dbraw/zinc/96/66/85/1384966685.db2.gz YPUSMNKWFGSPPB-UHFFFAOYSA-N 1 2 341.455 3.116 20 30 EGEDLO CC(=O)Oc1ccc(C2CCC([NH2+]C3(C#N)CCOCC3)CC2)cc1 ZINC001173787198 1385016949 /nfs/dbraw/zinc/01/69/49/1385016949.db2.gz YZEUYENHWJUMNW-UHFFFAOYSA-N 1 2 342.439 3.300 20 30 EGEDLO C[N@H+](CCNC(=O)C(C)(C)C1CCCC1)Cc1cc(C#N)ccc1F ZINC001317449992 1385149958 /nfs/dbraw/zinc/14/99/58/1385149958.db2.gz NJQIVQKDNQGUBG-UHFFFAOYSA-N 1 2 345.462 3.462 20 30 EGEDLO C[N@@H+](CCNC(=O)C(C)(C)C1CCCC1)Cc1cc(C#N)ccc1F ZINC001317449992 1385149959 /nfs/dbraw/zinc/14/99/59/1385149959.db2.gz NJQIVQKDNQGUBG-UHFFFAOYSA-N 1 2 345.462 3.462 20 30 EGEDLO N#Cc1cc(Nc2ccc(N3CCOCC3)[nH+]c2)ccc1N1CCCC1 ZINC001174977175 1385177277 /nfs/dbraw/zinc/17/72/77/1385177277.db2.gz HJNLTZIKIYPNNT-UHFFFAOYSA-N 1 2 349.438 3.134 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1csc(-c2ccco2)n1 ZINC001317484838 1385182349 /nfs/dbraw/zinc/18/23/49/1385182349.db2.gz UKBDVWIEXWJIRW-UHFFFAOYSA-N 1 2 339.848 3.207 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1csc(-c2ccco2)n1 ZINC001317484838 1385182352 /nfs/dbraw/zinc/18/23/52/1385182352.db2.gz UKBDVWIEXWJIRW-UHFFFAOYSA-N 1 2 339.848 3.207 20 30 EGEDLO CC(C)C(C)(C)C(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001317552401 1385313465 /nfs/dbraw/zinc/31/34/65/1385313465.db2.gz VBFWRCQOQIOHPR-UHFFFAOYSA-N 1 2 345.462 3.460 20 30 EGEDLO CC(C)C(C)(C)C(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001317552401 1385313470 /nfs/dbraw/zinc/31/34/70/1385313470.db2.gz VBFWRCQOQIOHPR-UHFFFAOYSA-N 1 2 345.462 3.460 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cc1c[nH]c2ccc(F)cc12)C1CC1 ZINC001317559144 1385334769 /nfs/dbraw/zinc/33/47/69/1385334769.db2.gz SWSSKLCPGHCRTO-UHFFFAOYSA-N 1 2 349.837 3.183 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)Cc1c[nH]c2ccc(F)cc12)C1CC1 ZINC001317559144 1385334771 /nfs/dbraw/zinc/33/47/71/1385334771.db2.gz SWSSKLCPGHCRTO-UHFFFAOYSA-N 1 2 349.837 3.183 20 30 EGEDLO C[C@@H]1CN(c2ccc(Nc3cc(F)cc(C#N)c3)c[nH+]2)C[C@H](C)O1 ZINC001175683705 1385373592 /nfs/dbraw/zinc/37/35/92/1385373592.db2.gz HWVCGYDIAHBHHN-BETUJISGSA-N 1 2 326.375 3.450 20 30 EGEDLO CCC(CC)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001317956837 1385587701 /nfs/dbraw/zinc/58/77/01/1385587701.db2.gz YXJDEMAXQGLBLI-KRWDZBQOSA-N 1 2 331.435 3.214 20 30 EGEDLO CCC(CC)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001317956837 1385587705 /nfs/dbraw/zinc/58/77/05/1385587705.db2.gz YXJDEMAXQGLBLI-KRWDZBQOSA-N 1 2 331.435 3.214 20 30 EGEDLO CCC[C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001317960938 1385588776 /nfs/dbraw/zinc/58/87/76/1385588776.db2.gz IIGSLMKKCKRNSN-YOEHRIQHSA-N 1 2 331.435 3.214 20 30 EGEDLO CCC[C@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001317960938 1385588783 /nfs/dbraw/zinc/58/87/83/1385588783.db2.gz IIGSLMKKCKRNSN-YOEHRIQHSA-N 1 2 331.435 3.214 20 30 EGEDLO N#Cc1c(F)ccc(NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)c1F ZINC001176967481 1385757616 /nfs/dbraw/zinc/75/76/16/1385757616.db2.gz NTCFZGBOGBQWCQ-LBPRGKRZSA-N 1 2 342.349 3.087 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]2OCC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001177019464 1385774968 /nfs/dbraw/zinc/77/49/68/1385774968.db2.gz MUICNFULPTVSOM-MOPGFXCFSA-N 1 2 342.483 3.091 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]2OCC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001177019464 1385774973 /nfs/dbraw/zinc/77/49/73/1385774973.db2.gz MUICNFULPTVSOM-MOPGFXCFSA-N 1 2 342.483 3.091 20 30 EGEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCCCCCCC)C[C@@H]21 ZINC001177140285 1385830454 /nfs/dbraw/zinc/83/04/54/1385830454.db2.gz XWYDDJBPPOTHSZ-OALUTQOASA-N 1 2 334.504 3.062 20 30 EGEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCCCCCCC)C[C@@H]21 ZINC001177140285 1385830456 /nfs/dbraw/zinc/83/04/56/1385830456.db2.gz XWYDDJBPPOTHSZ-OALUTQOASA-N 1 2 334.504 3.062 20 30 EGEDLO CN(CC(=O)Nc1c(C#N)cccc1C(F)(F)F)c1cccc[nH+]1 ZINC001177412321 1385946891 /nfs/dbraw/zinc/94/68/91/1385946891.db2.gz BGHXDNPKBYRAHY-UHFFFAOYSA-N 1 2 334.301 3.047 20 30 EGEDLO CCOc1ccc(N2CC[NH+](CC#Cc3ccc(F)cc3)CC2)cc1 ZINC001319714715 1386266115 /nfs/dbraw/zinc/26/61/15/1386266115.db2.gz JPKBPEPOXSSWTD-UHFFFAOYSA-N 1 2 338.426 3.398 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H]([NH2+]Cc2nc(C(C)C)no2)[C@@H]1C ZINC001178773777 1386299820 /nfs/dbraw/zinc/29/98/20/1386299820.db2.gz SBLVBEUDDKBNSX-HOCLYGCPSA-N 1 2 346.475 3.040 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2nc(CCCC)no2)[C@@H]1C ZINC001179384115 1386468800 /nfs/dbraw/zinc/46/88/00/1386468800.db2.gz CZJDLOYVOPSBNN-JYJNAYRXSA-N 1 2 348.491 3.094 20 30 EGEDLO C[C@H](c1cccc(NC(=O)CC#Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC001322558461 1387205457 /nfs/dbraw/zinc/20/54/57/1387205457.db2.gz ZHJVRDUNSJVETG-GOSISDBHSA-N 1 2 348.446 3.460 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC001182893876 1387241132 /nfs/dbraw/zinc/24/11/32/1387241132.db2.gz NPHASHOEBNYYGG-UONOGXRCSA-N 1 2 348.491 3.221 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH2+][C@H](c3cccc(OC)c3)C2)CCCC1 ZINC001337330043 1389306334 /nfs/dbraw/zinc/30/63/34/1389306334.db2.gz WOQKEQJQYHQOTE-SFHVURJKSA-N 1 2 328.456 3.305 20 30 EGEDLO CCN(CC1CCC1)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC ZINC001340152749 1390237684 /nfs/dbraw/zinc/23/76/84/1390237684.db2.gz VBENHVSAUAOEAV-UHFFFAOYSA-N 1 2 344.507 3.017 20 30 EGEDLO Cc1ccc(C)c2c1OC/C(=C/c1ncc(C[NH+](C)C)s1)C2=O ZINC001340933601 1390407711 /nfs/dbraw/zinc/40/77/11/1390407711.db2.gz PJTHYDHCQSJGAS-QPEQYQDCSA-N 1 2 328.437 3.480 20 30 EGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cc(O)cc(Cl)c2)CC1 ZINC001333814034 1390413552 /nfs/dbraw/zinc/41/35/52/1390413552.db2.gz LSWSJOJFMOFVDY-UHFFFAOYSA-N 1 2 327.815 3.498 20 30 EGEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC(CC)(CC)C1 ZINC001341869190 1390541103 /nfs/dbraw/zinc/54/11/03/1390541103.db2.gz YESTXPGIYRMMAD-UHFFFAOYSA-N 1 2 342.491 3.195 20 30 EGEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(CC)CCCC ZINC001342012830 1390561983 /nfs/dbraw/zinc/56/19/83/1390561983.db2.gz LVRXIJDAJFCCCR-DLBZAZTESA-N 1 2 347.507 3.016 20 30 EGEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(CC)CCCC ZINC001342012830 1390561985 /nfs/dbraw/zinc/56/19/85/1390561985.db2.gz LVRXIJDAJFCCCR-DLBZAZTESA-N 1 2 347.507 3.016 20 30 EGEDLO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)OCc2ccnc(C#N)c2)c1 ZINC001342643580 1390635591 /nfs/dbraw/zinc/63/55/91/1390635591.db2.gz SEPDGYLTZCJBST-FQEVSTJZSA-N 1 2 349.434 3.360 20 30 EGEDLO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)OCc2ccnc(C#N)c2)c1 ZINC001342643580 1390635593 /nfs/dbraw/zinc/63/55/93/1390635593.db2.gz SEPDGYLTZCJBST-FQEVSTJZSA-N 1 2 349.434 3.360 20 30 EGEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H](CC)CC1 ZINC001343421150 1390712933 /nfs/dbraw/zinc/71/29/33/1390712933.db2.gz ZZYXLLBWGYZRII-MRXNPFEDSA-N 1 2 342.491 3.195 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2Cc2ccccc2)nnc1N(C)OC ZINC001343764883 1390735630 /nfs/dbraw/zinc/73/56/30/1390735630.db2.gz KUYRFHGOKHFOLS-QGZVFWFLSA-N 1 2 341.459 3.189 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2Cc2ccccc2)nnc1N(C)OC ZINC001343764883 1390735631 /nfs/dbraw/zinc/73/56/31/1390735631.db2.gz KUYRFHGOKHFOLS-QGZVFWFLSA-N 1 2 341.459 3.189 20 30 EGEDLO C=CC[C@H]1CCCN(c2nnc([C@@H]3CCC[N@@H+]3C)n2CC(C)C)C1 ZINC001344489574 1390794689 /nfs/dbraw/zinc/79/46/89/1390794689.db2.gz KYTHTWWOAAQTQN-IRXDYDNUSA-N 1 2 331.508 3.493 20 30 EGEDLO C=CC[C@H]1CCCN(c2nnc([C@@H]3CCC[N@H+]3C)n2CC(C)C)C1 ZINC001344489574 1390794690 /nfs/dbraw/zinc/79/46/90/1390794690.db2.gz KYTHTWWOAAQTQN-IRXDYDNUSA-N 1 2 331.508 3.493 20 30 EGEDLO N#Cc1cc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cs1 ZINC001347770319 1391122337 /nfs/dbraw/zinc/12/23/37/1391122337.db2.gz FGKJVTQALUQIES-UHFFFAOYSA-N 1 2 332.454 3.314 20 30 EGEDLO C=C[C@@H](C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1)c1ccccc1 ZINC001347880836 1391140220 /nfs/dbraw/zinc/14/02/20/1391140220.db2.gz URCJVQVYJCIBTR-HXUWFJFHSA-N 1 2 336.435 3.006 20 30 EGEDLO CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(CCC#N)CCC(C)C ZINC001352912298 1391878392 /nfs/dbraw/zinc/87/83/92/1391878392.db2.gz BKYQGTULQAFCHQ-INIZCTEOSA-N 1 2 332.496 3.221 20 30 EGEDLO CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(CCC#N)CCC(C)C ZINC001352912298 1391878395 /nfs/dbraw/zinc/87/83/95/1391878395.db2.gz BKYQGTULQAFCHQ-INIZCTEOSA-N 1 2 332.496 3.221 20 30 EGEDLO C[C@H](C(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1)c1ccco1 ZINC001481186434 1393145080 /nfs/dbraw/zinc/14/50/80/1393145080.db2.gz ULBVEBICXPTCHA-HNNXBMFYSA-N 1 2 337.423 3.036 20 30 EGEDLO C[C@H](C(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1)c1ccco1 ZINC001481186434 1393145081 /nfs/dbraw/zinc/14/50/81/1393145081.db2.gz ULBVEBICXPTCHA-HNNXBMFYSA-N 1 2 337.423 3.036 20 30 EGEDLO C[C@@H](C#N)C(=O)N(C)C1CC[NH+](Cc2nc(C(C)(C)C)cs2)CC1 ZINC001490402013 1394215067 /nfs/dbraw/zinc/21/50/67/1394215067.db2.gz HJHAHUXNFSCOOL-ZDUSSCGKSA-N 1 2 348.516 3.023 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1csc(Cl)n1 ZINC001688057075 1396671260 /nfs/dbraw/zinc/67/12/60/1396671260.db2.gz IQSVAVBWHQOBID-MNOVXSKESA-N 1 2 346.283 3.228 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1csc(Cl)n1 ZINC001688057075 1396671267 /nfs/dbraw/zinc/67/12/67/1396671267.db2.gz IQSVAVBWHQOBID-MNOVXSKESA-N 1 2 346.283 3.228 20 30 EGEDLO CCC(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001691657545 1405390963 /nfs/dbraw/zinc/39/09/63/1405390963.db2.gz WFKIICVESNNWJS-KRWDZBQOSA-N 1 2 343.471 3.036 20 30 EGEDLO CCC(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001691657545 1405390967 /nfs/dbraw/zinc/39/09/67/1405390967.db2.gz WFKIICVESNNWJS-KRWDZBQOSA-N 1 2 343.471 3.036 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)CC(C)(C)C)C1 ZINC001698576723 1406186005 /nfs/dbraw/zinc/18/60/05/1406186005.db2.gz MEXTYNUJXNSGSD-ZDUSSCGKSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)CC(C)(C)C)C1 ZINC001698576723 1406186006 /nfs/dbraw/zinc/18/60/06/1406186006.db2.gz MEXTYNUJXNSGSD-ZDUSSCGKSA-N 1 2 331.298 3.254 20 30 EGEDLO CC(C)(F)C(=O)NC[C@@H]([NH2+]Cc1ccccc1C#N)c1ccccc1 ZINC001732017686 1428233750 /nfs/dbraw/zinc/23/37/50/1428233750.db2.gz NNXCJCWWKNKRHJ-GOSISDBHSA-N 1 2 339.414 3.253 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cc(CC)ccn2)C1 ZINC001732038222 1428262099 /nfs/dbraw/zinc/26/20/99/1428262099.db2.gz DGFAKRXVCVTLKQ-INIZCTEOSA-N 1 2 335.879 3.323 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cc(CC)ccn2)C1 ZINC001732038222 1428262100 /nfs/dbraw/zinc/26/21/00/1428262100.db2.gz DGFAKRXVCVTLKQ-INIZCTEOSA-N 1 2 335.879 3.323 20 30 EGEDLO C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)c1n[nH]c2ccccc21 ZINC001732468661 1428597895 /nfs/dbraw/zinc/59/78/95/1428597895.db2.gz SGXSXHXMJCOPOT-CYBMUJFWSA-N 1 2 334.851 3.050 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1cc(F)c(C)cc1F ZINC001699453072 1412795321 /nfs/dbraw/zinc/79/53/21/1412795321.db2.gz BBIWIHSDHUOWOV-GFCCVEGCSA-N 1 2 330.806 3.005 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1cc(F)c(C)cc1F ZINC001699453072 1412795322 /nfs/dbraw/zinc/79/53/22/1412795322.db2.gz BBIWIHSDHUOWOV-GFCCVEGCSA-N 1 2 330.806 3.005 20 30 EGEDLO C=CC1(CC(=O)N[C@@H]2CC[N@@H+](Cc3cncc(F)c3)C2)CCCCC1 ZINC001713087341 1417634191 /nfs/dbraw/zinc/63/41/91/1417634191.db2.gz WQGFSEOIVKXGSF-GOSISDBHSA-N 1 2 345.462 3.438 20 30 EGEDLO C=CC1(CC(=O)N[C@@H]2CC[N@H+](Cc3cncc(F)c3)C2)CCCCC1 ZINC001713087341 1417634192 /nfs/dbraw/zinc/63/41/92/1417634192.db2.gz WQGFSEOIVKXGSF-GOSISDBHSA-N 1 2 345.462 3.438 20 30 EGEDLO C[C@H](C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)c1ccccc1 ZINC001733231232 1429364846 /nfs/dbraw/zinc/36/48/46/1429364846.db2.gz SNUROSFYNDVAEI-GOEBONIOSA-N 1 2 339.464 3.114 20 30 EGEDLO C[C@H](C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)c1ccccc1 ZINC001733231232 1429364850 /nfs/dbraw/zinc/36/48/50/1429364850.db2.gz SNUROSFYNDVAEI-GOEBONIOSA-N 1 2 339.464 3.114 20 30 EGEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)C12CCC(CC1)C2 ZINC001715522834 1420210343 /nfs/dbraw/zinc/21/03/43/1420210343.db2.gz PIICHUPAVHVUQZ-UHFFFAOYSA-N 1 2 343.446 3.168 20 30 EGEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)C12CCC(CC1)C2 ZINC001715522834 1420210345 /nfs/dbraw/zinc/21/03/45/1420210345.db2.gz PIICHUPAVHVUQZ-UHFFFAOYSA-N 1 2 343.446 3.168 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1nsc2ccc(C)cc21 ZINC001716033822 1420492962 /nfs/dbraw/zinc/49/29/62/1420492962.db2.gz GXGNKRWBNMIWBK-GFCCVEGCSA-N 1 2 337.876 3.407 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1nsc2ccc(C)cc21 ZINC001716033822 1420492964 /nfs/dbraw/zinc/49/29/64/1420492964.db2.gz GXGNKRWBNMIWBK-GFCCVEGCSA-N 1 2 337.876 3.407 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1nsc2ccc(C)cc21 ZINC001717484127 1421420192 /nfs/dbraw/zinc/42/01/92/1421420192.db2.gz RPBILUOMSVDOBL-GFCCVEGCSA-N 1 2 337.876 3.407 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1nsc2ccc(C)cc21 ZINC001717484127 1421420194 /nfs/dbraw/zinc/42/01/94/1421420194.db2.gz RPBILUOMSVDOBL-GFCCVEGCSA-N 1 2 337.876 3.407 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)Cc2coc3ccccc23)C1 ZINC001733419025 1429624485 /nfs/dbraw/zinc/62/44/85/1429624485.db2.gz SLXLEAXDJIJPFB-SFHVURJKSA-N 1 2 332.831 3.308 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)Cc2coc3ccccc23)C1 ZINC001733419025 1429624486 /nfs/dbraw/zinc/62/44/86/1429624486.db2.gz SLXLEAXDJIJPFB-SFHVURJKSA-N 1 2 332.831 3.308 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC2(CN(C(=O)CCCC)C2)C1 ZINC001725334708 1425979026 /nfs/dbraw/zinc/97/90/26/1425979026.db2.gz MOXSNZJFOUQLDZ-UHFFFAOYSA-N 1 2 329.282 3.010 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC2(CN(C(=O)CCCC)C2)C1 ZINC001725334708 1425979029 /nfs/dbraw/zinc/97/90/29/1425979029.db2.gz MOXSNZJFOUQLDZ-UHFFFAOYSA-N 1 2 329.282 3.010 20 30 EGEDLO C[N@H+](CCNC(=O)[C@H]1CCCCC1(C)C)Cc1ccccc1C#N ZINC001731797072 1427952853 /nfs/dbraw/zinc/95/28/53/1427952853.db2.gz FNTPUHVXGXEBLC-GOSISDBHSA-N 1 2 327.472 3.323 20 30 EGEDLO C[N@@H+](CCNC(=O)[C@H]1CCCCC1(C)C)Cc1ccccc1C#N ZINC001731797072 1427952855 /nfs/dbraw/zinc/95/28/55/1427952855.db2.gz FNTPUHVXGXEBLC-GOSISDBHSA-N 1 2 327.472 3.323 20 30 EGEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)[C@H]1CCC(F)(F)C1)C1CC1 ZINC001731876377 1428141346 /nfs/dbraw/zinc/14/13/46/1428141346.db2.gz JYRRFCLWWFBDSH-AWEZNQCLSA-N 1 2 347.409 3.074 20 30 EGEDLO N#Cc1ccccc1C[N@H+](CCNC(=O)[C@H]1CCC(F)(F)C1)C1CC1 ZINC001731876377 1428141351 /nfs/dbraw/zinc/14/13/51/1428141351.db2.gz JYRRFCLWWFBDSH-AWEZNQCLSA-N 1 2 347.409 3.074 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1c(F)cc(F)cc1F)C1CC1 ZINC001731881099 1428152127 /nfs/dbraw/zinc/15/21/27/1428152127.db2.gz YHNAJNHPLVLPTG-UHFFFAOYSA-N 1 2 332.753 3.051 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1c(F)cc(F)cc1F)C1CC1 ZINC001731881099 1428152128 /nfs/dbraw/zinc/15/21/28/1428152128.db2.gz YHNAJNHPLVLPTG-UHFFFAOYSA-N 1 2 332.753 3.051 20 30 EGEDLO C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001752386816 1440172992 /nfs/dbraw/zinc/17/29/92/1440172992.db2.gz FULHBFQTVQMVRF-HIFRSBDPSA-N 1 2 334.410 3.266 20 30 EGEDLO C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001752386816 1440172994 /nfs/dbraw/zinc/17/29/94/1440172994.db2.gz FULHBFQTVQMVRF-HIFRSBDPSA-N 1 2 334.410 3.266 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]([N@H+](C)Cc2nc(C)c(C)o2)C1 ZINC001752992006 1440259717 /nfs/dbraw/zinc/25/97/17/1440259717.db2.gz CFZNVOMBTNKXEO-INIZCTEOSA-N 1 2 333.476 3.317 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2nc(C)c(C)o2)C1 ZINC001752992006 1440259718 /nfs/dbraw/zinc/25/97/18/1440259718.db2.gz CFZNVOMBTNKXEO-INIZCTEOSA-N 1 2 333.476 3.317 20 30 EGEDLO Cc1oc(C)c(C(=O)NCC[N@@H+](C)Cc2ccc(C#N)cc2F)c1C ZINC001753054587 1440280806 /nfs/dbraw/zinc/28/08/06/1440280806.db2.gz RLFBDRGGRQQMER-UHFFFAOYSA-N 1 2 343.402 3.077 20 30 EGEDLO Cc1oc(C)c(C(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2F)c1C ZINC001753054587 1440280807 /nfs/dbraw/zinc/28/08/07/1440280807.db2.gz RLFBDRGGRQQMER-UHFFFAOYSA-N 1 2 343.402 3.077 20 30 EGEDLO CC#CCCCC(=O)NCC[N@H+](C)Cc1nc(C)c(C(C)(C)C)s1 ZINC001753060263 1440283021 /nfs/dbraw/zinc/28/30/21/1440283021.db2.gz KLOLDGKTTSDSJR-UHFFFAOYSA-N 1 2 349.544 3.491 20 30 EGEDLO CC#CCCCC(=O)NCC[N@@H+](C)Cc1nc(C)c(C(C)(C)C)s1 ZINC001753060263 1440283022 /nfs/dbraw/zinc/28/30/22/1440283022.db2.gz KLOLDGKTTSDSJR-UHFFFAOYSA-N 1 2 349.544 3.491 20 30 EGEDLO C[C@H]1CC[C@@H](C(=O)NCC[N@H+](Cc2cc(C#N)ccc2F)C2CC2)C1 ZINC001753160986 1440333567 /nfs/dbraw/zinc/33/35/67/1440333567.db2.gz ITORLTVYLXPVOH-GOEBONIOSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H]1CC[C@@H](C(=O)NCC[N@@H+](Cc2cc(C#N)ccc2F)C2CC2)C1 ZINC001753160986 1440333568 /nfs/dbraw/zinc/33/35/68/1440333568.db2.gz ITORLTVYLXPVOH-GOEBONIOSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1cnc(C)cn1 ZINC001753307840 1440355805 /nfs/dbraw/zinc/35/58/05/1440355805.db2.gz LYIYYBGUOPYHMW-TVFCKZIOSA-N 1 2 342.487 3.124 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1cnc(C)cn1 ZINC001753307840 1440355806 /nfs/dbraw/zinc/35/58/06/1440355806.db2.gz LYIYYBGUOPYHMW-TVFCKZIOSA-N 1 2 342.487 3.124 20 30 EGEDLO CCCN(C(=O)C#CC1CC1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC001753315808 1440359526 /nfs/dbraw/zinc/35/95/26/1440359526.db2.gz GLKXUYWCPQKUEY-GOSISDBHSA-N 1 2 346.421 3.191 20 30 EGEDLO CCCN(C(=O)C#CC1CC1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001753315808 1440359527 /nfs/dbraw/zinc/35/95/27/1440359527.db2.gz GLKXUYWCPQKUEY-GOSISDBHSA-N 1 2 346.421 3.191 20 30 EGEDLO CC#CCCCC(=O)N(CCC)[C@@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001753318785 1440361723 /nfs/dbraw/zinc/36/17/23/1440361723.db2.gz PTIAGFIDYQDLRG-QGZVFWFLSA-N 1 2 347.528 3.458 20 30 EGEDLO CC#CCCCC(=O)N(CCC)[C@@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001753318785 1440361724 /nfs/dbraw/zinc/36/17/24/1440361724.db2.gz PTIAGFIDYQDLRG-QGZVFWFLSA-N 1 2 347.528 3.458 20 30 EGEDLO C=CCCC(=O)NCC1C[NH+](Cc2coc(-c3ccc(C)cc3)n2)C1 ZINC001753397000 1440390384 /nfs/dbraw/zinc/39/03/84/1440390384.db2.gz FQSLUNQWGIACKD-UHFFFAOYSA-N 1 2 339.439 3.164 20 30 EGEDLO C=C(C)CCC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H](C)c2nc(CCCC)no2)C1 ZINC001753437459 1440400583 /nfs/dbraw/zinc/40/05/83/1440400583.db2.gz WROQUXNCYAODTM-JKSUJKDBSA-N 1 2 348.491 3.362 20 30 EGEDLO C=C(C)CCC(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C)c2nc(CCCC)no2)C1 ZINC001753437459 1440400584 /nfs/dbraw/zinc/40/05/84/1440400584.db2.gz WROQUXNCYAODTM-JKSUJKDBSA-N 1 2 348.491 3.362 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001753443186 1440402580 /nfs/dbraw/zinc/40/25/80/1440402580.db2.gz RDJHXDPIMBBSGE-GOSISDBHSA-N 1 2 343.446 3.332 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001753443186 1440402581 /nfs/dbraw/zinc/40/25/81/1440402581.db2.gz RDJHXDPIMBBSGE-GOSISDBHSA-N 1 2 343.446 3.332 20 30 EGEDLO C=CCC1(C(=O)N(C)[C@H]2CC[N@H+](Cc3coc(C)n3)C2)CCCC1 ZINC001753448957 1440405197 /nfs/dbraw/zinc/40/51/97/1440405197.db2.gz ASINSXGNXOJQGE-KRWDZBQOSA-N 1 2 331.460 3.152 20 30 EGEDLO C=CCC1(C(=O)N(C)[C@H]2CC[N@@H+](Cc3coc(C)n3)C2)CCCC1 ZINC001753448957 1440405198 /nfs/dbraw/zinc/40/51/98/1440405198.db2.gz ASINSXGNXOJQGE-KRWDZBQOSA-N 1 2 331.460 3.152 20 30 EGEDLO C=CCCC(=O)NCCC1CC[NH+](Cc2nc(C(C)(C)C)no2)CC1 ZINC001753593890 1440443922 /nfs/dbraw/zinc/44/39/22/1440443922.db2.gz OYVUVLQPYRAFMT-UHFFFAOYSA-N 1 2 348.491 3.052 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H]2C[N@H+](Cc3csc(C)c3)CCO2)CCC1 ZINC001753652215 1440456800 /nfs/dbraw/zinc/45/68/00/1440456800.db2.gz CLOVZWSXDGCCLE-QGZVFWFLSA-N 1 2 348.512 3.120 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H]2C[N@@H+](Cc3csc(C)c3)CCO2)CCC1 ZINC001753652215 1440456801 /nfs/dbraw/zinc/45/68/01/1440456801.db2.gz CLOVZWSXDGCCLE-QGZVFWFLSA-N 1 2 348.512 3.120 20 30 EGEDLO C#CCCCCC(=O)N1CCC2(C[NH+](CC=C(Cl)Cl)C2)CC1 ZINC001753673054 1440462679 /nfs/dbraw/zinc/46/26/79/1440462679.db2.gz VUYLGUWEEWUFBS-UHFFFAOYSA-N 1 2 343.298 3.423 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC/C=C/C[NH2+]Cc1ncc(Cl)s1 ZINC001754156520 1440545740 /nfs/dbraw/zinc/54/57/40/1440545740.db2.gz LQYVTWNGPGBMLT-AATRIKPKSA-N 1 2 327.881 3.161 20 30 EGEDLO C=CCC(C)(C)C(=O)NC/C=C\C[NH2+]Cc1cc(C(C)(C)C)on1 ZINC001754176445 1440547613 /nfs/dbraw/zinc/54/76/13/1440547613.db2.gz FKVHCLHWJOUREU-HJWRWDBZSA-N 1 2 333.476 3.336 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H](C)C[N@H+](C)Cc1cc(-c2ccco2)on1 ZINC001754323334 1440578870 /nfs/dbraw/zinc/57/88/70/1440578870.db2.gz PBUVRKSEKQVPOQ-IFXJQAMLSA-N 1 2 345.443 3.473 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(-c2ccco2)on1 ZINC001754323334 1440578871 /nfs/dbraw/zinc/57/88/71/1440578871.db2.gz PBUVRKSEKQVPOQ-IFXJQAMLSA-N 1 2 345.443 3.473 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)Cc1ccccc1F ZINC001754325910 1440580384 /nfs/dbraw/zinc/58/03/84/1440580384.db2.gz YYHOUDUPDIEARA-TZMCWYRMSA-N 1 2 326.843 3.193 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)Cc1ccccc1F ZINC001754325910 1440580385 /nfs/dbraw/zinc/58/03/85/1440580385.db2.gz YYHOUDUPDIEARA-TZMCWYRMSA-N 1 2 326.843 3.193 20 30 EGEDLO O=C(C[C@H]1C=CCC1)NC[C@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001754472236 1440605869 /nfs/dbraw/zinc/60/58/69/1440605869.db2.gz MWKMBNTWQRXIII-PKOBYXMFSA-N 1 2 342.870 3.238 20 30 EGEDLO O=C(C[C@H]1C=CCC1)NC[C@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001754472236 1440605870 /nfs/dbraw/zinc/60/58/70/1440605870.db2.gz MWKMBNTWQRXIII-PKOBYXMFSA-N 1 2 342.870 3.238 20 30 EGEDLO C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)c1ccccc1 ZINC001754500872 1440614113 /nfs/dbraw/zinc/61/41/13/1440614113.db2.gz SNUROSFYNDVAEI-GDBMZVCRSA-N 1 2 339.464 3.114 20 30 EGEDLO C[C@@H](C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)c1ccccc1 ZINC001754500872 1440614114 /nfs/dbraw/zinc/61/41/14/1440614114.db2.gz SNUROSFYNDVAEI-GDBMZVCRSA-N 1 2 339.464 3.114 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cscn1 ZINC001754658751 1440654195 /nfs/dbraw/zinc/65/41/95/1440654195.db2.gz OCQLYADFSWBPLI-CVEARBPZSA-N 1 2 333.501 3.311 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cscn1 ZINC001754658751 1440654196 /nfs/dbraw/zinc/65/41/96/1440654196.db2.gz OCQLYADFSWBPLI-CVEARBPZSA-N 1 2 333.501 3.311 20 30 EGEDLO C=C(C)CCC(=O)N[C@@]1(C)CC[N@H+](Cc2cc(-c3ccco3)on2)C1 ZINC001754673733 1440658923 /nfs/dbraw/zinc/65/89/23/1440658923.db2.gz GLSSZPWDPVRSBS-IBGZPJMESA-N 1 2 343.427 3.372 20 30 EGEDLO C=C(C)CCC(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC001754673733 1440658924 /nfs/dbraw/zinc/65/89/24/1440658924.db2.gz GLSSZPWDPVRSBS-IBGZPJMESA-N 1 2 343.427 3.372 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)OC2CCCCCC2)C1 ZINC001754677891 1440660736 /nfs/dbraw/zinc/66/07/36/1440660736.db2.gz BRRGJIHQAQLTEU-CRAIPNDOSA-N 1 2 342.911 3.447 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)OC2CCCCCC2)C1 ZINC001754677891 1440660737 /nfs/dbraw/zinc/66/07/37/1440660737.db2.gz BRRGJIHQAQLTEU-CRAIPNDOSA-N 1 2 342.911 3.447 20 30 EGEDLO C[C@@H](CC(=O)N[C@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1)C1CC1 ZINC001754685782 1440664932 /nfs/dbraw/zinc/66/49/32/1440664932.db2.gz RRSQELLUSAOEQM-VBKZILBWSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@@H](CC(=O)N[C@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1)C1CC1 ZINC001754685782 1440664933 /nfs/dbraw/zinc/66/49/33/1440664933.db2.gz RRSQELLUSAOEQM-VBKZILBWSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(C)CCC(=O)NCC1(C)CC[NH+](Cc2nnc(C3CC3)o2)CC1 ZINC001754715934 1440671501 /nfs/dbraw/zinc/67/15/01/1440671501.db2.gz IFCPWUZHFFAYQT-UHFFFAOYSA-N 1 2 346.475 3.022 20 30 EGEDLO C=C(C)CCC(=O)NC[C@]1(C)CCC[N@@H+]([C@@H](C)c2nc(C)no2)C1 ZINC001754727953 1440677406 /nfs/dbraw/zinc/67/74/06/1440677406.db2.gz PJYAQYGNLCKBKX-KSSFIOAISA-N 1 2 334.464 3.014 20 30 EGEDLO C=C(C)CCC(=O)NC[C@]1(C)CCC[N@H+]([C@@H](C)c2nc(C)no2)C1 ZINC001754727953 1440677407 /nfs/dbraw/zinc/67/74/07/1440677407.db2.gz PJYAQYGNLCKBKX-KSSFIOAISA-N 1 2 334.464 3.014 20 30 EGEDLO C=C(C)CCC(=O)NC[C@]1(C)CCC[N@@H+]([C@H](C)c2nc(C)no2)C1 ZINC001754727952 1440677500 /nfs/dbraw/zinc/67/75/00/1440677500.db2.gz PJYAQYGNLCKBKX-KDOFPFPSSA-N 1 2 334.464 3.014 20 30 EGEDLO C=C(C)CCC(=O)NC[C@]1(C)CCC[N@H+]([C@H](C)c2nc(C)no2)C1 ZINC001754727952 1440677501 /nfs/dbraw/zinc/67/75/01/1440677501.db2.gz PJYAQYGNLCKBKX-KDOFPFPSSA-N 1 2 334.464 3.014 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@]1(C)CCC[N@@H+]([C@H](C)c2nc(CC)no2)C1 ZINC001754729307 1440678144 /nfs/dbraw/zinc/67/81/44/1440678144.db2.gz HPQZQQYMGQVWAF-KUHUBIRLSA-N 1 2 348.491 3.124 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@]1(C)CCC[N@H+]([C@H](C)c2nc(CC)no2)C1 ZINC001754729307 1440678145 /nfs/dbraw/zinc/67/81/45/1440678145.db2.gz HPQZQQYMGQVWAF-KUHUBIRLSA-N 1 2 348.491 3.124 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@]1(C)CCC[N@@H+]([C@H](C)c2nc(C)no2)C1 ZINC001754730293 1440678748 /nfs/dbraw/zinc/67/87/48/1440678748.db2.gz FPNTXPCRSWQZOQ-AUUYWEPGSA-N 1 2 348.491 3.260 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@]1(C)CCC[N@H+]([C@H](C)c2nc(C)no2)C1 ZINC001754730293 1440678749 /nfs/dbraw/zinc/67/87/49/1440678749.db2.gz FPNTXPCRSWQZOQ-AUUYWEPGSA-N 1 2 348.491 3.260 20 30 EGEDLO C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)c2cncc3nc[nH]c32)cc1 ZINC001754948470 1440714159 /nfs/dbraw/zinc/71/41/59/1440714159.db2.gz ZAANXKHKJJFMHQ-AWEZNQCLSA-N 1 2 349.438 3.115 20 30 EGEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)CCCC[C@@H](C)CC)C2)CC1 ZINC001755020000 1440726492 /nfs/dbraw/zinc/72/64/92/1440726492.db2.gz WENWFICJAYAPQC-VQTJNVASSA-N 1 2 349.563 3.388 20 30 EGEDLO C=CCC1(C(=O)N(C)CCC[N@H+](C)Cc2coc(C)n2)CCCC1 ZINC001755046947 1440741521 /nfs/dbraw/zinc/74/15/21/1440741521.db2.gz CSOCEXLGMKLWDD-UHFFFAOYSA-N 1 2 333.476 3.400 20 30 EGEDLO C=CCC1(C(=O)N(C)CCC[N@@H+](C)Cc2coc(C)n2)CCCC1 ZINC001755046947 1440741522 /nfs/dbraw/zinc/74/15/22/1440741522.db2.gz CSOCEXLGMKLWDD-UHFFFAOYSA-N 1 2 333.476 3.400 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1COC2(C[NH+](Cc3ccc(C)cc3)C2)C1 ZINC001755062631 1440744542 /nfs/dbraw/zinc/74/45/42/1440744542.db2.gz BSUXISSLVMNNDX-ICSRJNTNSA-N 1 2 342.483 3.057 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[N@@H+](Cc2nc(C(C)(C)C)no2)CC1(C)C ZINC001755137838 1440759148 /nfs/dbraw/zinc/75/91/48/1440759148.db2.gz WECQZPCKBZYFIS-CQSZACIVSA-N 1 2 348.491 3.050 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[N@H+](Cc2nc(C(C)(C)C)no2)CC1(C)C ZINC001755137838 1440759149 /nfs/dbraw/zinc/75/91/49/1440759149.db2.gz WECQZPCKBZYFIS-CQSZACIVSA-N 1 2 348.491 3.050 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@H+](Cc2nccc(C)n2)CC1(C)C ZINC001755140636 1440760199 /nfs/dbraw/zinc/76/01/99/1440760199.db2.gz BLTIRUDGTRZYHL-SJORKVTESA-N 1 2 344.503 3.104 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](Cc2nccc(C)n2)CC1(C)C ZINC001755140636 1440760200 /nfs/dbraw/zinc/76/02/00/1440760200.db2.gz BLTIRUDGTRZYHL-SJORKVTESA-N 1 2 344.503 3.104 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)C1(C)CCC1 ZINC001755195980 1440777103 /nfs/dbraw/zinc/77/71/03/1440777103.db2.gz BRHFURLJKGZDFJ-CYBMUJFWSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)C1(C)CCC1 ZINC001755195980 1440777104 /nfs/dbraw/zinc/77/71/04/1440777104.db2.gz BRHFURLJKGZDFJ-CYBMUJFWSA-N 1 2 329.282 3.008 20 30 EGEDLO C[C@@H](CNC(=O)c1ccc(F)cc1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001755288807 1440803042 /nfs/dbraw/zinc/80/30/42/1440803042.db2.gz IYHGOXSYHKFUGH-ZDUSSCGKSA-N 1 2 343.377 3.087 20 30 EGEDLO C[C@@H](CNC(=O)c1ccc(F)cc1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001755288807 1440803043 /nfs/dbraw/zinc/80/30/43/1440803043.db2.gz IYHGOXSYHKFUGH-ZDUSSCGKSA-N 1 2 343.377 3.087 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](C)[N@H+](C)Cc1cc(O)ccc1Cl ZINC001755313320 1440814220 /nfs/dbraw/zinc/81/42/20/1440814220.db2.gz MXHKCZRMIRNBHB-CQSZACIVSA-N 1 2 336.863 3.176 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](C)[N@@H+](C)Cc1cc(O)ccc1Cl ZINC001755313320 1440814221 /nfs/dbraw/zinc/81/42/21/1440814221.db2.gz MXHKCZRMIRNBHB-CQSZACIVSA-N 1 2 336.863 3.176 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2ccccc2)C(C)(C)C1 ZINC001755416753 1440849287 /nfs/dbraw/zinc/84/92/87/1440849287.db2.gz WBNUQMXEOQVVFD-WMLDXEAASA-N 1 2 334.891 3.444 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2ccccc2)C(C)(C)C1 ZINC001755416753 1440849288 /nfs/dbraw/zinc/84/92/88/1440849288.db2.gz WBNUQMXEOQVVFD-WMLDXEAASA-N 1 2 334.891 3.444 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C[C@@H](C)[NH2+][C@H](C)c2nnc(CC(C)C)o2)C1 ZINC001755603439 1440884746 /nfs/dbraw/zinc/88/47/46/1440884746.db2.gz BAEKULDDGLCGIW-HUUCEWRRSA-N 1 2 348.491 3.122 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@H]([NH2+]Cc2nc(CCCC)no2)C[C@@H]1C ZINC001755676898 1440894670 /nfs/dbraw/zinc/89/46/70/1440894670.db2.gz SNRVRIQOLVEMBX-LSDHHAIUSA-N 1 2 348.491 3.094 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(Cl)n2)[C@@H]1C ZINC001755715852 1440905135 /nfs/dbraw/zinc/90/51/35/1440905135.db2.gz FELRDSVLJNGUGR-NVXWUHKLSA-N 1 2 347.890 3.398 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(Cl)n2)[C@@H]1C ZINC001755715852 1440905136 /nfs/dbraw/zinc/90/51/36/1440905136.db2.gz FELRDSVLJNGUGR-NVXWUHKLSA-N 1 2 347.890 3.398 20 30 EGEDLO C[C@H]1[C@H](NC(=O)C#CC(C)(C)C)CCC[N@@H+]1Cc1c(F)cccc1F ZINC001755716919 1440905431 /nfs/dbraw/zinc/90/54/31/1440905431.db2.gz COUXWCYWXJJVJX-KBXCAEBGSA-N 1 2 348.437 3.483 20 30 EGEDLO C[C@H]1[C@H](NC(=O)C#CC(C)(C)C)CCC[N@H+]1Cc1c(F)cccc1F ZINC001755716919 1440905432 /nfs/dbraw/zinc/90/54/32/1440905432.db2.gz COUXWCYWXJJVJX-KBXCAEBGSA-N 1 2 348.437 3.483 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cncc(F)c2)[C@@H]1C ZINC001755721020 1440907226 /nfs/dbraw/zinc/90/72/26/1440907226.db2.gz JEFJBDUNLRGECF-RHSMWYFYSA-N 1 2 333.451 3.292 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cncc(F)c2)[C@@H]1C ZINC001755721020 1440907227 /nfs/dbraw/zinc/90/72/27/1440907227.db2.gz JEFJBDUNLRGECF-RHSMWYFYSA-N 1 2 333.451 3.292 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)CCC2CC2)CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001755725355 1440909282 /nfs/dbraw/zinc/90/92/82/1440909282.db2.gz GKZXCBRGILKPHG-KUHUBIRLSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)CCC2CC2)CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001755725355 1440909283 /nfs/dbraw/zinc/90/92/83/1440909283.db2.gz GKZXCBRGILKPHG-KUHUBIRLSA-N 1 2 343.446 3.357 20 30 EGEDLO C=CCCCC(=O)N[C@@H](C)C1CC[NH+](Cc2nnc(C(C)C)[nH]2)CC1 ZINC001755848809 1440934304 /nfs/dbraw/zinc/93/43/04/1440934304.db2.gz ZOAHPXVPXIBZSI-HNNXBMFYSA-N 1 2 347.507 3.001 20 30 EGEDLO C=CC[NH+]1CCN(c2ncnc3c(-c4ccccc4)nsc32)CC1 ZINC001165031946 721870925 /nfs/dbraw/zinc/87/09/25/721870925.db2.gz DZLYKESEYNDOKS-UHFFFAOYSA-N 1 2 337.452 3.061 20 30 EGEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCc4c(F)cccc4C3)C2=O)cc1 ZINC000352768549 283159205 /nfs/dbraw/zinc/15/92/05/283159205.db2.gz IUOOZMQHUQQPFD-FQEVSTJZSA-N 1 2 349.409 3.251 20 30 EGEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCc4c(F)cccc4C3)C2=O)cc1 ZINC000352768549 283159207 /nfs/dbraw/zinc/15/92/07/283159207.db2.gz IUOOZMQHUQQPFD-FQEVSTJZSA-N 1 2 349.409 3.251 20 30 EGEDLO Cc1nc2c(s1)[C@H]([N@H+](C)CC(=O)Nc1cccc(C#N)c1)CCC2 ZINC000111312563 220136859 /nfs/dbraw/zinc/13/68/59/220136859.db2.gz WQCGTNRWCATGIU-MRXNPFEDSA-N 1 2 340.452 3.271 20 30 EGEDLO Cc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)Nc1cccc(C#N)c1)CCC2 ZINC000111312563 220136861 /nfs/dbraw/zinc/13/68/61/220136861.db2.gz WQCGTNRWCATGIU-MRXNPFEDSA-N 1 2 340.452 3.271 20 30 EGEDLO C#CCOc1ccc(F)cc1NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000088390895 217750509 /nfs/dbraw/zinc/75/05/09/217750509.db2.gz GSICXMIKTATGCY-OAHLLOKOSA-N 1 2 342.374 3.320 20 30 EGEDLO N#Cc1cc(F)ccc1N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000266161672 248140125 /nfs/dbraw/zinc/14/01/25/248140125.db2.gz NNYGHRQSKZFHPP-IBGZPJMESA-N 1 2 325.387 3.183 20 30 EGEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCO[C@H](c3ccccc3Cl)C2)cc1 ZINC000268620581 252074154 /nfs/dbraw/zinc/07/41/54/252074154.db2.gz AGHMAYMRULDKNJ-OALUTQOASA-N 1 2 342.826 3.319 20 30 EGEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCO[C@H](c3ccccc3Cl)C2)cc1 ZINC000268620581 252074156 /nfs/dbraw/zinc/07/41/56/252074156.db2.gz AGHMAYMRULDKNJ-OALUTQOASA-N 1 2 342.826 3.319 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000246515409 141013051 /nfs/dbraw/zinc/01/30/51/141013051.db2.gz QWDSOPCTWIWNQA-HZPDHXFCSA-N 1 2 341.436 3.108 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000246515409 141013054 /nfs/dbraw/zinc/01/30/54/141013054.db2.gz QWDSOPCTWIWNQA-HZPDHXFCSA-N 1 2 341.436 3.108 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000337850168 141067311 /nfs/dbraw/zinc/06/73/11/141067311.db2.gz FNYQTCMMFVBJQO-UHFFFAOYSA-N 1 2 346.390 3.395 20 30 EGEDLO Cn1ccnc1[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc([N+](=O)[O-])cc1 ZINC000353437421 141295162 /nfs/dbraw/zinc/29/51/62/141295162.db2.gz RCQZKASTFYFAKP-SFHVURJKSA-N 1 2 347.378 3.079 20 30 EGEDLO N#Cc1cccc(COc2cccc(CNc3ccc(CO)c[nH+]3)c2)c1 ZINC000356326383 141341786 /nfs/dbraw/zinc/34/17/86/141341786.db2.gz XKAYFJLGBLPJEV-UHFFFAOYSA-N 1 2 345.402 3.059 20 30 EGEDLO CC(C)S(=O)(=O)c1ccc(C[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000359605413 141383998 /nfs/dbraw/zinc/38/39/98/141383998.db2.gz FXMGGKSFGFGDJG-UHFFFAOYSA-N 1 2 342.464 3.372 20 30 EGEDLO CC(C)S(=O)(=O)c1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000359605413 141383999 /nfs/dbraw/zinc/38/39/99/141383999.db2.gz FXMGGKSFGFGDJG-UHFFFAOYSA-N 1 2 342.464 3.372 20 30 EGEDLO COc1cccc([C@@H](C)N2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000171705831 144009293 /nfs/dbraw/zinc/00/92/93/144009293.db2.gz AGKQZXAJBBYQKK-QGZVFWFLSA-N 1 2 335.451 3.446 20 30 EGEDLO C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc2c(c1)NC(=O)CO2 ZINC000187417961 144158752 /nfs/dbraw/zinc/15/87/52/144158752.db2.gz FUARPAOYNUVUOE-NSHDSACASA-N 1 2 341.798 3.393 20 30 EGEDLO C[S@](=O)C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccccc1 ZINC000187433987 144158954 /nfs/dbraw/zinc/15/89/54/144158954.db2.gz LPIJAQQEXAAGIV-JTSKRJEESA-N 1 2 332.856 3.421 20 30 EGEDLO N#Cc1ccc(OCC[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)cc1 ZINC000351096845 144255164 /nfs/dbraw/zinc/25/51/64/144255164.db2.gz HSDILJJGLQFDJU-UHFFFAOYSA-N 1 2 344.418 3.181 20 30 EGEDLO N#Cc1ccc(OCC[N@H+]2CCc3c(ncn3-c3ccccc3)C2)cc1 ZINC000351096845 144255165 /nfs/dbraw/zinc/25/51/65/144255165.db2.gz HSDILJJGLQFDJU-UHFFFAOYSA-N 1 2 344.418 3.181 20 30 EGEDLO C[C@@H](c1ccccc1Cl)N1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191229075 153182687 /nfs/dbraw/zinc/18/26/87/153182687.db2.gz KMLCBMHLULLHGI-HNNXBMFYSA-N 1 2 342.874 3.429 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)cc1F ZINC000192206142 153246439 /nfs/dbraw/zinc/24/64/39/153246439.db2.gz GDMZMVVUWLIXBG-UHFFFAOYSA-N 1 2 346.352 3.459 20 30 EGEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000337467008 154368611 /nfs/dbraw/zinc/36/86/11/154368611.db2.gz UHSOTNOFRQFEMA-OAHLLOKOSA-N 1 2 339.414 3.349 20 30 EGEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000337467008 154368614 /nfs/dbraw/zinc/36/86/14/154368614.db2.gz UHSOTNOFRQFEMA-OAHLLOKOSA-N 1 2 339.414 3.349 20 30 EGEDLO N#Cc1ccc(NCc2ccccc2Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000345254068 156019642 /nfs/dbraw/zinc/01/96/42/156019642.db2.gz KOHVQSXKUSXASY-UHFFFAOYSA-N 1 2 333.351 3.323 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+]2CCSC3(CCCCC3)C2)c(C#N)c1C ZINC000079504776 161802255 /nfs/dbraw/zinc/80/22/55/161802255.db2.gz HNGZRSXHQWNCDL-UHFFFAOYSA-N 1 2 347.484 3.458 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+]2CCSC3(CCCCC3)C2)c(C#N)c1C ZINC000079504776 161802258 /nfs/dbraw/zinc/80/22/58/161802258.db2.gz HNGZRSXHQWNCDL-UHFFFAOYSA-N 1 2 347.484 3.458 20 30 EGEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)Cc1ccccc1C#N ZINC000111056264 162144184 /nfs/dbraw/zinc/14/41/84/162144184.db2.gz ONXNMQBTGVPFQP-IBGZPJMESA-N 1 2 349.478 3.281 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1ccc(F)c(C#N)c1 ZINC000346159331 164352592 /nfs/dbraw/zinc/35/25/92/164352592.db2.gz WTRKSJBXKBPPNA-UHFFFAOYSA-N 1 2 336.370 3.176 20 30 EGEDLO COC(=O)C[C@@](C)([NH2+]Cc1ccccc1C#N)c1cccc(OC)c1 ZINC000352403304 165383575 /nfs/dbraw/zinc/38/35/75/165383575.db2.gz UIMPXELSGJJNMD-HXUWFJFHSA-N 1 2 338.407 3.135 20 30 EGEDLO C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)c1ncnn1C ZINC000353236273 165689231 /nfs/dbraw/zinc/68/92/31/165689231.db2.gz LNBQCVBXMDFMMH-OAHLLOKOSA-N 1 2 347.422 3.117 20 30 EGEDLO CCN(Cc1cccc(NCc2c[nH+]c3ccc(C#N)cn23)c1)C(C)=O ZINC000355388637 166182092 /nfs/dbraw/zinc/18/20/92/166182092.db2.gz BTJVOKDJGIMAGS-UHFFFAOYSA-N 1 2 347.422 3.186 20 30 EGEDLO Cc1nc(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c(Cl)cc1C#N ZINC000359833533 167243973 /nfs/dbraw/zinc/24/39/73/167243973.db2.gz ACJRRILAPAEISQ-RYUDHWBXSA-N 1 2 336.867 3.215 20 30 EGEDLO C[C@@H](C(=O)N1CC[NH+](Cc2cccs2)CC1)c1cccc(C#N)c1 ZINC000359841621 167245527 /nfs/dbraw/zinc/24/55/27/167245527.db2.gz LVASGQGLEOMJRT-OAHLLOKOSA-N 1 2 339.464 3.068 20 30 EGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H](C)c1cccc(C#N)c1)C2 ZINC000360202662 167269838 /nfs/dbraw/zinc/26/98/38/167269838.db2.gz CQVYSHRKKKXLGM-CQSZACIVSA-N 1 2 336.439 3.104 20 30 EGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](C)c1cccc(C#N)c1 ZINC000360447528 167331134 /nfs/dbraw/zinc/33/11/34/167331134.db2.gz NNPSLYHDNNHJTD-MRXNPFEDSA-N 1 2 338.455 3.359 20 30 EGEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCOCC3(CCC3)C2)c1 ZINC000365190548 168032790 /nfs/dbraw/zinc/03/27/90/168032790.db2.gz OZHIPXAHSMWUKO-UHFFFAOYSA-N 1 2 335.245 3.323 20 30 EGEDLO N#Cc1ccc(Br)c(C[N@H+]2CCOCC3(CCC3)C2)c1 ZINC000365190548 168032791 /nfs/dbraw/zinc/03/27/91/168032791.db2.gz OZHIPXAHSMWUKO-UHFFFAOYSA-N 1 2 335.245 3.323 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)cc1C#N ZINC000366940801 168159317 /nfs/dbraw/zinc/15/93/17/168159317.db2.gz LOQRCSXIDCHOHN-GOSISDBHSA-N 1 2 348.381 3.259 20 30 EGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000122829512 222167384 /nfs/dbraw/zinc/16/73/84/222167384.db2.gz GQXSCMKLMISBBQ-UHFFFAOYSA-N 1 2 341.415 3.096 20 30 EGEDLO CC(=O)c1ccc2c(c1)C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C2 ZINC000411933520 270046933 /nfs/dbraw/zinc/04/69/33/270046933.db2.gz CZNWVUKIAZSRFS-UHFFFAOYSA-N 1 2 333.391 3.105 20 30 EGEDLO CC(=O)c1ccc2c(c1)C[N@H+](CCC(=O)Nc1cccc(C#N)c1)C2 ZINC000411933520 270046934 /nfs/dbraw/zinc/04/69/34/270046934.db2.gz CZNWVUKIAZSRFS-UHFFFAOYSA-N 1 2 333.391 3.105 20 30 EGEDLO CC(=O)c1cccc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425529904 270049033 /nfs/dbraw/zinc/04/90/33/270049033.db2.gz CZOWSUVVFLDMBL-CQSZACIVSA-N 1 2 335.407 3.392 20 30 EGEDLO CC(=O)c1cccc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425529904 270049035 /nfs/dbraw/zinc/04/90/35/270049035.db2.gz CZOWSUVVFLDMBL-CQSZACIVSA-N 1 2 335.407 3.392 20 30 EGEDLO Cc1cccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)n1 ZINC000444771680 270052540 /nfs/dbraw/zinc/05/25/40/270052540.db2.gz KJZHLCWHLPUCFN-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO Cc1nc(N2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)ccc1C#N ZINC000487759212 270056234 /nfs/dbraw/zinc/05/62/34/270056234.db2.gz HZJUAALGZPMOBV-UHFFFAOYSA-N 1 2 333.370 3.149 20 30 EGEDLO N#Cc1cc(F)ccc1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000534529068 270061067 /nfs/dbraw/zinc/06/10/67/270061067.db2.gz UCCVJRZMSSHXSJ-UHFFFAOYSA-N 1 2 344.415 3.109 20 30 EGEDLO CCC[N@@H+](CC#N)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000299252092 266044398 /nfs/dbraw/zinc/04/43/98/266044398.db2.gz KUHBIWZQQWWIAQ-CYBMUJFWSA-N 1 2 344.484 3.309 20 30 EGEDLO CCC[N@H+](CC#N)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000299252092 266044402 /nfs/dbraw/zinc/04/44/02/266044402.db2.gz KUHBIWZQQWWIAQ-CYBMUJFWSA-N 1 2 344.484 3.309 20 30 EGEDLO C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000299061940 267001740 /nfs/dbraw/zinc/00/17/40/267001740.db2.gz NOGGAEPUSIMQPD-ZDUSSCGKSA-N 1 2 328.366 3.115 20 30 EGEDLO CC[N@H+](CCCNC(=O)c1cccc(F)c1C#N)c1ccccc1 ZINC000487749670 267064089 /nfs/dbraw/zinc/06/40/89/267064089.db2.gz LGHSYNVLDMHPMH-UHFFFAOYSA-N 1 2 325.387 3.344 20 30 EGEDLO CC[N@@H+](CCCNC(=O)c1cccc(F)c1C#N)c1ccccc1 ZINC000487749670 267064090 /nfs/dbraw/zinc/06/40/90/267064090.db2.gz LGHSYNVLDMHPMH-UHFFFAOYSA-N 1 2 325.387 3.344 20 30 EGEDLO CCOc1ccc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc1OC ZINC000459606747 267169577 /nfs/dbraw/zinc/16/95/77/267169577.db2.gz FQOWPNFHWMTCAF-UHFFFAOYSA-N 1 2 338.407 3.229 20 30 EGEDLO C[C@H]1CCN(c2nc3cc(Cl)ccn3c2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000287844614 267218310 /nfs/dbraw/zinc/21/83/10/267218310.db2.gz MAJZQZISKZOVCR-WFASDCNBSA-N 1 2 340.818 3.143 20 30 EGEDLO C[N@H+](CC(=O)NCc1cccs1)Cc1ccc(C#N)cc1Cl ZINC000439429111 267299355 /nfs/dbraw/zinc/29/93/55/267299355.db2.gz DQGZERDTTFENOW-UHFFFAOYSA-N 1 2 333.844 3.021 20 30 EGEDLO C[N@@H+](CC(=O)NCc1cccs1)Cc1ccc(C#N)cc1Cl ZINC000439429111 267299360 /nfs/dbraw/zinc/29/93/60/267299360.db2.gz DQGZERDTTFENOW-UHFFFAOYSA-N 1 2 333.844 3.021 20 30 EGEDLO Cc1cc2[nH+]cn(C[C@@H](O)COc3cc(F)cc(C#N)c3)c2cc1C ZINC000290021567 267368110 /nfs/dbraw/zinc/36/81/10/267368110.db2.gz GFYVEJFZNMAGMU-MRXNPFEDSA-N 1 2 339.370 3.104 20 30 EGEDLO COC(=O)C[C@](C)([NH2+]Cc1cccc(F)c1C#N)c1cccc(F)c1 ZINC000428942075 267368387 /nfs/dbraw/zinc/36/83/87/267368387.db2.gz MGXNQZDZVIOKME-IBGZPJMESA-N 1 2 344.361 3.405 20 30 EGEDLO Cc1ncc(C[NH+]2CCN(c3ncc(Cl)c(C)c3C#N)CC2)s1 ZINC000273413938 267648076 /nfs/dbraw/zinc/64/80/76/267648076.db2.gz YBLIRVMUPQOLII-UHFFFAOYSA-N 1 2 347.875 3.002 20 30 EGEDLO N#Cc1cc(NC[C@H](c2cccc(Cl)c2)[NH+]2CCOCC2)ccn1 ZINC000287950469 268013031 /nfs/dbraw/zinc/01/30/31/268013031.db2.gz QLKXRNCETCYJDW-GOSISDBHSA-N 1 2 342.830 3.092 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCc3cccc(C)c3C2)c(C#N)c1C ZINC000429572231 268104448 /nfs/dbraw/zinc/10/44/48/268104448.db2.gz GIFDEMRSZOJRKK-CQSZACIVSA-N 1 2 337.423 3.462 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCc3cccc(C)c3C2)c(C#N)c1C ZINC000429572231 268104449 /nfs/dbraw/zinc/10/44/49/268104449.db2.gz GIFDEMRSZOJRKK-CQSZACIVSA-N 1 2 337.423 3.462 20 30 EGEDLO Cn1ncc2c1nc[nH+]c2SCc1ccc(C#N)cc1OC(F)F ZINC000439538707 268135401 /nfs/dbraw/zinc/13/54/01/268135401.db2.gz CHKBQXBQHVNTIZ-UHFFFAOYSA-N 1 2 347.350 3.129 20 30 EGEDLO N#Cc1ccc(NC(=O)N2CC[NH+](Cc3ccco3)CC2)cc1Cl ZINC000298374487 268145253 /nfs/dbraw/zinc/14/52/53/268145253.db2.gz AQGFDZVVLRGWJE-UHFFFAOYSA-N 1 2 344.802 3.154 20 30 EGEDLO N#Cc1c2c(cnc1N1CCC(CCCn3cc[nH+]c3)CC1)CCC2 ZINC000425241256 268169147 /nfs/dbraw/zinc/16/91/47/268169147.db2.gz ADVGYTUBYLEQGY-UHFFFAOYSA-N 1 2 335.455 3.335 20 30 EGEDLO CC(C)Oc1ccc(NC(=O)NCCCCn2cc[nH+]c2)cc1C#N ZINC000532937333 269625794 /nfs/dbraw/zinc/62/57/94/269625794.db2.gz NWNRIQMBBMABKX-UHFFFAOYSA-N 1 2 341.415 3.144 20 30 EGEDLO CC(C)(C)OC1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000162543590 277211597 /nfs/dbraw/zinc/21/15/97/277211597.db2.gz KAIUBJVOFJCNEZ-OAHLLOKOSA-N 1 2 347.484 3.005 20 30 EGEDLO C[C@H]1c2cccn2CC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179881922 280133870 /nfs/dbraw/zinc/13/38/70/280133870.db2.gz XBMDODGQLCZSRK-HNNXBMFYSA-N 1 2 331.423 3.337 20 30 EGEDLO C[C@H]1c2cccn2CC[N@@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179881922 280133873 /nfs/dbraw/zinc/13/38/73/280133873.db2.gz XBMDODGQLCZSRK-HNNXBMFYSA-N 1 2 331.423 3.337 20 30 EGEDLO N#Cc1cccc(/C=C\C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000254976746 308035993 /nfs/dbraw/zinc/03/59/93/308035993.db2.gz QFTRXNAOMOESMQ-HJWRWDBZSA-N 1 2 328.375 3.074 20 30 EGEDLO CC[C@@](C)([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1nccs1 ZINC000535964209 314086040 /nfs/dbraw/zinc/08/60/40/314086040.db2.gz PUHQMBMIMAFPFW-QGZVFWFLSA-N 1 2 329.425 3.216 20 30 EGEDLO CC1(C)C[N@H+](CCOc2cccc(C#N)c2)C[C@@](C)(C(F)(F)F)O1 ZINC000550239957 315121366 /nfs/dbraw/zinc/12/13/66/315121366.db2.gz MSFLHGCTLXQCLK-INIZCTEOSA-N 1 2 342.361 3.369 20 30 EGEDLO CC1(C)C[N@@H+](CCOc2cccc(C#N)c2)C[C@@](C)(C(F)(F)F)O1 ZINC000550239957 315121369 /nfs/dbraw/zinc/12/13/69/315121369.db2.gz MSFLHGCTLXQCLK-INIZCTEOSA-N 1 2 342.361 3.369 20 30 EGEDLO CCC(CC)[C@H](CNc1snc(Cl)c1C#N)[NH+]1CCOCC1 ZINC000092584972 454589429 /nfs/dbraw/zinc/58/94/29/454589429.db2.gz FNJUPLBBNWELJH-ZDUSSCGKSA-N 1 2 342.896 3.217 20 30 EGEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000563624463 316048356 /nfs/dbraw/zinc/04/83/56/316048356.db2.gz LTFKDSAYKJTRHH-SFHVURJKSA-N 1 2 336.439 3.002 20 30 EGEDLO CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)c1 ZINC000565341162 316310588 /nfs/dbraw/zinc/31/05/88/316310588.db2.gz QCYOBWXCRUHRMB-UHFFFAOYSA-N 1 2 331.379 3.267 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000569699167 316952092 /nfs/dbraw/zinc/95/20/92/316952092.db2.gz NTDOTZMHRNJPPM-GOSISDBHSA-N 1 2 345.406 3.083 20 30 EGEDLO Cc1ccccc1N1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000007619626 323211485 /nfs/dbraw/zinc/21/14/85/323211485.db2.gz HXNSBFQIZRRLAD-KRWDZBQOSA-N 1 2 348.450 3.016 20 30 EGEDLO CC(C)COC[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccco1 ZINC000184197016 323647060 /nfs/dbraw/zinc/64/70/60/323647060.db2.gz HKIFDCODSMSWQO-KRWDZBQOSA-N 1 2 341.411 3.093 20 30 EGEDLO N#Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1Cl ZINC000350184025 324060144 /nfs/dbraw/zinc/06/01/44/324060144.db2.gz RPPGWKGPAGGTHI-UKRRQHHQSA-N 1 2 344.802 3.187 20 30 EGEDLO N#Cc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1Cl ZINC000350184025 324060151 /nfs/dbraw/zinc/06/01/51/324060151.db2.gz RPPGWKGPAGGTHI-UKRRQHHQSA-N 1 2 344.802 3.187 20 30 EGEDLO CN(C(=O)Cc1cccc(C#N)c1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000579747909 325154125 /nfs/dbraw/zinc/15/41/25/325154125.db2.gz CWUZPUBWKCKACJ-IBGZPJMESA-N 1 2 330.391 3.072 20 30 EGEDLO C=C1CC[NH+](CC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000264467067 455219181 /nfs/dbraw/zinc/21/91/81/455219181.db2.gz MFKKVRKWNRFVHT-UHFFFAOYSA-N 1 2 327.197 3.179 20 30 EGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000264544170 455233620 /nfs/dbraw/zinc/23/36/20/455233620.db2.gz NMSYEPPPNVXNFO-ZIAGYGMSSA-N 1 2 343.456 3.345 20 30 EGEDLO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612165616 460557815 /nfs/dbraw/zinc/55/78/15/460557815.db2.gz ODAKNFTVZYQDOJ-FTRWYGJKSA-N 1 2 327.472 3.440 20 30 EGEDLO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612165616 460557819 /nfs/dbraw/zinc/55/78/19/460557819.db2.gz ODAKNFTVZYQDOJ-FTRWYGJKSA-N 1 2 327.472 3.440 20 30 EGEDLO COC(=O)c1ccc(OCC[N@@H+]2CCC[C@](C)(C#N)C2)c(Cl)c1 ZINC000612160765 460555494 /nfs/dbraw/zinc/55/54/94/460555494.db2.gz LRCJUVAOQPMQGA-QGZVFWFLSA-N 1 2 336.819 3.131 20 30 EGEDLO COC(=O)c1ccc(OCC[N@H+]2CCC[C@](C)(C#N)C2)c(Cl)c1 ZINC000612160765 460555498 /nfs/dbraw/zinc/55/54/98/460555498.db2.gz LRCJUVAOQPMQGA-QGZVFWFLSA-N 1 2 336.819 3.131 20 30 EGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000612158318 460556030 /nfs/dbraw/zinc/55/60/30/460556030.db2.gz KNPFEGRNKDTZOK-FQEVSTJZSA-N 1 2 337.423 3.335 20 30 EGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000612158318 460556037 /nfs/dbraw/zinc/55/60/37/460556037.db2.gz KNPFEGRNKDTZOK-FQEVSTJZSA-N 1 2 337.423 3.335 20 30 EGEDLO CN(C(=O)C[N@@H+]1CCC[C@](C)(C#N)C1)[C@H]1CCCc2ccccc21 ZINC000612166006 460558150 /nfs/dbraw/zinc/55/81/50/460558150.db2.gz SJVPQUXQQLYKKP-AZUAARDMSA-N 1 2 325.456 3.148 20 30 EGEDLO CN(C(=O)C[N@H+]1CCC[C@](C)(C#N)C1)[C@H]1CCCc2ccccc21 ZINC000612166006 460558153 /nfs/dbraw/zinc/55/81/53/460558153.db2.gz SJVPQUXQQLYKKP-AZUAARDMSA-N 1 2 325.456 3.148 20 30 EGEDLO C=CCNC(=O)C[NH2+]Cc1c(Cl)n(-c2ccccc2)nc1C(C)C ZINC000181128876 455292184 /nfs/dbraw/zinc/29/21/84/455292184.db2.gz XRJFQKHUVLQAFV-UHFFFAOYSA-N 1 2 346.862 3.041 20 30 EGEDLO C=CCCC[C@@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000181391886 455327527 /nfs/dbraw/zinc/32/75/27/455327527.db2.gz AHTMAMPACBCRBL-SJORKVTESA-N 1 2 330.476 3.215 20 30 EGEDLO N#CC1(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CCC1 ZINC000265448369 455326798 /nfs/dbraw/zinc/32/67/98/455326798.db2.gz NFLVEYYIMUTFSX-OAHLLOKOSA-N 1 2 349.837 3.426 20 30 EGEDLO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2CCCSCC#N)o1 ZINC000173870074 455336510 /nfs/dbraw/zinc/33/65/10/455336510.db2.gz MWQVKSNFCZQZMI-MRXNPFEDSA-N 1 2 328.441 3.124 20 30 EGEDLO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2CCCSCC#N)o1 ZINC000173870074 455336514 /nfs/dbraw/zinc/33/65/14/455336514.db2.gz MWQVKSNFCZQZMI-MRXNPFEDSA-N 1 2 328.441 3.124 20 30 EGEDLO C[C@@](C#N)(NC(=O)C[N@H+](Cc1ccco1)Cc1cccs1)C1CC1 ZINC000007580857 453087181 /nfs/dbraw/zinc/08/71/81/453087181.db2.gz GAPYNLBCYKSURV-SFHVURJKSA-N 1 2 343.452 3.152 20 30 EGEDLO C[C@@](C#N)(NC(=O)C[N@@H+](Cc1ccco1)Cc1cccs1)C1CC1 ZINC000007580857 453087191 /nfs/dbraw/zinc/08/71/91/453087191.db2.gz GAPYNLBCYKSURV-SFHVURJKSA-N 1 2 343.452 3.152 20 30 EGEDLO COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2sccc2C#N)c1 ZINC000010226574 453282697 /nfs/dbraw/zinc/28/26/97/453282697.db2.gz UGLXRYYRQVZHPJ-INIZCTEOSA-N 1 2 341.436 3.404 20 30 EGEDLO COc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2sccc2C#N)c1 ZINC000010226574 453282700 /nfs/dbraw/zinc/28/27/00/453282700.db2.gz UGLXRYYRQVZHPJ-INIZCTEOSA-N 1 2 341.436 3.404 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccco2)c1 ZINC000015306584 453566231 /nfs/dbraw/zinc/56/62/31/453566231.db2.gz HHZLFSNEJNFXDQ-UHFFFAOYSA-N 1 2 325.412 3.275 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccco2)c1 ZINC000015306584 453566236 /nfs/dbraw/zinc/56/62/36/453566236.db2.gz HHZLFSNEJNFXDQ-UHFFFAOYSA-N 1 2 325.412 3.275 20 30 EGEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000081515136 453881540 /nfs/dbraw/zinc/88/15/40/453881540.db2.gz XFVMPOMHKRSRIC-GFCCVEGCSA-N 1 2 325.815 3.062 20 30 EGEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000081515136 453881543 /nfs/dbraw/zinc/88/15/43/453881543.db2.gz XFVMPOMHKRSRIC-GFCCVEGCSA-N 1 2 325.815 3.062 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCCn1cc[nH+]c1 ZINC000066955473 453890278 /nfs/dbraw/zinc/89/02/78/453890278.db2.gz FGLSHKNGIFCZBB-AWEZNQCLSA-N 1 2 343.456 3.489 20 30 EGEDLO Cc1ccc([C@H](C/N=C/c2cc([N+](=O)[O-])ccc2O)[NH+](C)C)cc1 ZINC000067005680 453893185 /nfs/dbraw/zinc/89/31/85/453893185.db2.gz DTFPMVDUYIGAJD-WAKXPGHKSA-N 1 2 327.384 3.331 20 30 EGEDLO N#CCCC[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000067128106 453904091 /nfs/dbraw/zinc/90/40/91/453904091.db2.gz XLRHAGLKQIJKJP-UHFFFAOYSA-N 1 2 332.757 3.180 20 30 EGEDLO C=C(C)CN(CC)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000054008283 453905285 /nfs/dbraw/zinc/90/52/85/453905285.db2.gz PURVCGSIOJSONN-INIZCTEOSA-N 1 2 330.407 3.256 20 30 EGEDLO N#CCc1cccc(C(=O)NCc2[nH+]ccn2CCc2ccccc2)c1 ZINC000081930177 453917231 /nfs/dbraw/zinc/91/72/31/453917231.db2.gz HHQZWMHMUPRWCF-UHFFFAOYSA-N 1 2 344.418 3.122 20 30 EGEDLO N#CCCN(C(=O)C[NH+]1CCC(C(F)(F)F)CC1)c1ccccc1 ZINC000075996819 453947036 /nfs/dbraw/zinc/94/70/36/453947036.db2.gz LFSBPHUMWVLYGI-UHFFFAOYSA-N 1 2 339.361 3.208 20 30 EGEDLO C=CC[N@H+](CC(=O)N1CCc2sccc2C1)Cc1cccs1 ZINC000054866255 453951858 /nfs/dbraw/zinc/95/18/58/453951858.db2.gz HSEVULLJNJUJRV-UHFFFAOYSA-N 1 2 332.494 3.383 20 30 EGEDLO C=CC[N@@H+](CC(=O)N1CCc2sccc2C1)Cc1cccs1 ZINC000054866255 453951862 /nfs/dbraw/zinc/95/18/62/453951862.db2.gz HSEVULLJNJUJRV-UHFFFAOYSA-N 1 2 332.494 3.383 20 30 EGEDLO COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612406793 460622602 /nfs/dbraw/zinc/62/26/02/460622602.db2.gz UBRSXSNUFWGSEH-IBGZPJMESA-N 1 2 342.395 3.354 20 30 EGEDLO COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612406793 460622604 /nfs/dbraw/zinc/62/26/04/460622604.db2.gz UBRSXSNUFWGSEH-IBGZPJMESA-N 1 2 342.395 3.354 20 30 EGEDLO Cc1nc(C[NH+]2CCN(c3ccc(C#N)c(Cl)c3)CC2)cs1 ZINC000068428687 454026501 /nfs/dbraw/zinc/02/65/01/454026501.db2.gz ISAURCPGOHUZEK-UHFFFAOYSA-N 1 2 332.860 3.299 20 30 EGEDLO C=CC[N@@H+](CC(=O)N1CCCC[C@@H]1CC)Cc1cccc(C#N)c1 ZINC000068827074 454058011 /nfs/dbraw/zinc/05/80/11/454058011.db2.gz OUGBLNHRQOVLSL-IBGZPJMESA-N 1 2 325.456 3.337 20 30 EGEDLO C=CC[N@H+](CC(=O)N1CCCC[C@@H]1CC)Cc1cccc(C#N)c1 ZINC000068827074 454058016 /nfs/dbraw/zinc/05/80/16/454058016.db2.gz OUGBLNHRQOVLSL-IBGZPJMESA-N 1 2 325.456 3.337 20 30 EGEDLO C#Cc1cccc(NC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)c1 ZINC000043984777 454085307 /nfs/dbraw/zinc/08/53/07/454085307.db2.gz KDKMOCRESKOXPD-GOSISDBHSA-N 1 2 348.381 3.452 20 30 EGEDLO N#Cc1ccc(NC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000045026981 454133507 /nfs/dbraw/zinc/13/35/07/454133507.db2.gz MZXWCYQRJMPWTP-QPJJXVBHSA-N 1 2 346.434 3.421 20 30 EGEDLO C=CCNC(=O)c1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000058229249 454173786 /nfs/dbraw/zinc/17/37/86/454173786.db2.gz JEVYKIIKPANGHF-UHFFFAOYSA-N 1 2 346.390 3.040 20 30 EGEDLO C[C@H](c1nccs1)N1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000184661867 455423363 /nfs/dbraw/zinc/42/33/63/455423363.db2.gz RHHULZNAZXOCID-HUUCEWRRSA-N 1 2 326.469 3.455 20 30 EGEDLO CCN(CC)c1ccc(CNC(=O)/C=C/c2ccc(C#N)cc2)c[nH+]1 ZINC000058349987 454190971 /nfs/dbraw/zinc/19/09/71/454190971.db2.gz AKLWTUNHWOCYHP-ZRDIBKRKSA-N 1 2 334.423 3.129 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000058579080 454217323 /nfs/dbraw/zinc/21/73/23/454217323.db2.gz BHVDWDFXFCTDSL-UHFFFAOYSA-N 1 2 325.456 3.173 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000058579080 454217327 /nfs/dbraw/zinc/21/73/27/454217327.db2.gz BHVDWDFXFCTDSL-UHFFFAOYSA-N 1 2 325.456 3.173 20 30 EGEDLO C=CCOc1ccc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000120163763 454266029 /nfs/dbraw/zinc/26/60/29/454266029.db2.gz FQSZHYYJPHPFRH-MRXNPFEDSA-N 1 2 339.439 3.080 20 30 EGEDLO CC(C)c1nnc(CO[NH+]=C(N)c2cccc(C(F)(F)F)c2)o1 ZINC000131798991 454286991 /nfs/dbraw/zinc/28/69/91/454286991.db2.gz FHMZODCQLVZBSD-UHFFFAOYSA-N 1 2 328.294 3.049 20 30 EGEDLO N#CC1CC[NH+](CC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000060893504 454319623 /nfs/dbraw/zinc/31/96/23/454319623.db2.gz WUEFIIOTEQVHDN-IBGZPJMESA-N 1 2 339.464 3.189 20 30 EGEDLO C=CC[N@@H+](CC(=O)N(C)Cc1ccccc1OC)Cc1cccs1 ZINC000060942759 454321373 /nfs/dbraw/zinc/32/13/73/454321373.db2.gz INMANDXDGTXBAQ-UHFFFAOYSA-N 1 2 344.480 3.403 20 30 EGEDLO C=CC[N@H+](CC(=O)N(C)Cc1ccccc1OC)Cc1cccs1 ZINC000060942759 454321378 /nfs/dbraw/zinc/32/13/78/454321378.db2.gz INMANDXDGTXBAQ-UHFFFAOYSA-N 1 2 344.480 3.403 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)Cc1cccnc1 ZINC000132546904 454347199 /nfs/dbraw/zinc/34/71/99/454347199.db2.gz NISMARZRVTYFHC-OAHLLOKOSA-N 1 2 329.469 3.178 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1cccnc1 ZINC000132546904 454347204 /nfs/dbraw/zinc/34/72/04/454347204.db2.gz NISMARZRVTYFHC-OAHLLOKOSA-N 1 2 329.469 3.178 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCS[C@@H](C)[C@@H]2C)c1C#N ZINC000091069969 454376722 /nfs/dbraw/zinc/37/67/22/454376722.db2.gz ZYGUTTHIIZTWEG-GJZGRUSLSA-N 1 2 326.469 3.378 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)c1C#N ZINC000091069969 454376727 /nfs/dbraw/zinc/37/67/27/454376727.db2.gz ZYGUTTHIIZTWEG-GJZGRUSLSA-N 1 2 326.469 3.378 20 30 EGEDLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)NCC#Cc1ccccc1 ZINC000073561544 454450490 /nfs/dbraw/zinc/45/04/90/454450490.db2.gz VOUBTWNWGMRHHN-JLHYYAGUSA-N 1 2 327.387 3.053 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCc3ccccc3[C@@H]2CO)c1C ZINC000133887610 454479384 /nfs/dbraw/zinc/47/93/84/454479384.db2.gz OAIOGMUCEFBNCO-FQEVSTJZSA-N 1 2 338.451 3.065 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCc3ccccc3[C@@H]2CO)c1C ZINC000133887610 454479390 /nfs/dbraw/zinc/47/93/90/454479390.db2.gz OAIOGMUCEFBNCO-FQEVSTJZSA-N 1 2 338.451 3.065 20 30 EGEDLO COc1cc[nH+]cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000102724085 454517741 /nfs/dbraw/zinc/51/77/41/454517741.db2.gz CVXVYKBFDMFNDR-UHFFFAOYSA-N 1 2 349.346 3.386 20 30 EGEDLO N#CCC[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000049750578 454559464 /nfs/dbraw/zinc/55/94/64/454559464.db2.gz HSRYRYXSZMSHMN-UHFFFAOYSA-N 1 2 336.233 3.013 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@H+](Cc1ccco1)Cc1ccc(C)s1 ZINC000122812123 454570601 /nfs/dbraw/zinc/57/06/01/454570601.db2.gz WEZQBPNDUCMYEB-UHFFFAOYSA-N 1 2 345.468 3.414 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@@H+](Cc1ccco1)Cc1ccc(C)s1 ZINC000122812123 454570608 /nfs/dbraw/zinc/57/06/08/454570608.db2.gz WEZQBPNDUCMYEB-UHFFFAOYSA-N 1 2 345.468 3.414 20 30 EGEDLO Cn1c2cc(F)ccc2[nH+]c1CCNc1snc(Cl)c1C#N ZINC000092655999 454602910 /nfs/dbraw/zinc/60/29/10/454602910.db2.gz LLZKKLZNCUCGDR-UHFFFAOYSA-N 1 2 335.795 3.349 20 30 EGEDLO CC(C)(C)c1noc(CO[NH+]=C(N)c2cccc(C(F)(F)F)c2)n1 ZINC000123310418 454623420 /nfs/dbraw/zinc/62/34/20/454623420.db2.gz RLKALFQAPMGEOI-UHFFFAOYSA-N 1 2 342.321 3.223 20 30 EGEDLO N#Cc1ccsc1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000052032438 454650008 /nfs/dbraw/zinc/65/00/08/454650008.db2.gz WQWOMNVHTWBPGT-UHFFFAOYSA-N 1 2 338.392 3.148 20 30 EGEDLO CC#CCSc1nnc(C[NH+]2CCCCC2)n1Cc1ccccc1 ZINC000123673537 454663327 /nfs/dbraw/zinc/66/33/27/454663327.db2.gz DLCAMPNUAXTDBW-UHFFFAOYSA-N 1 2 340.496 3.428 20 30 EGEDLO CCOC(=O)Nc1ccc2c(C[N@H+](CC)CCC#N)cc(=O)oc2c1 ZINC000081039066 454676192 /nfs/dbraw/zinc/67/61/92/454676192.db2.gz URNRKJVUJUIZGQ-UHFFFAOYSA-N 1 2 343.383 3.097 20 30 EGEDLO CCOC(=O)Nc1ccc2c(C[N@@H+](CC)CCC#N)cc(=O)oc2c1 ZINC000081039066 454676195 /nfs/dbraw/zinc/67/61/95/454676195.db2.gz URNRKJVUJUIZGQ-UHFFFAOYSA-N 1 2 343.383 3.097 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)c1C ZINC000135556680 454689497 /nfs/dbraw/zinc/68/94/97/454689497.db2.gz LKNGTBHNKZXXRZ-GOSISDBHSA-N 1 2 340.471 3.217 20 30 EGEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@@H]2CCCc3c2cnn3C)c1C ZINC000135556680 454689502 /nfs/dbraw/zinc/68/95/02/454689502.db2.gz LKNGTBHNKZXXRZ-GOSISDBHSA-N 1 2 340.471 3.217 20 30 EGEDLO N#CCC[C@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000124186807 454704337 /nfs/dbraw/zinc/70/43/37/454704337.db2.gz BMBGNEZTHRAYJC-ROUUACIJSA-N 1 2 349.438 3.005 20 30 EGEDLO Cn1cc(Br)cc1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000162032592 454747167 /nfs/dbraw/zinc/74/71/67/454747167.db2.gz LRKKHOMPSDONBK-UHFFFAOYSA-N 1 2 336.208 3.430 20 30 EGEDLO Cn1cc(Br)cc1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000162032592 454747163 /nfs/dbraw/zinc/74/71/63/454747163.db2.gz LRKKHOMPSDONBK-UHFFFAOYSA-N 1 2 336.208 3.430 20 30 EGEDLO N#CC1(C(=O)NCc2[nH+]ccn2CCc2ccccc2)CCCCC1 ZINC000176489941 454751080 /nfs/dbraw/zinc/75/10/80/454751080.db2.gz PFZZPYKZEVKUIU-UHFFFAOYSA-N 1 2 336.439 3.216 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(C#N)CC1 ZINC000108361824 454795022 /nfs/dbraw/zinc/79/50/22/454795022.db2.gz LLHXMMUIFWDOQU-AWEZNQCLSA-N 1 2 342.468 3.255 20 30 EGEDLO C[C@@]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)(C(N)=O)c1ccccc1 ZINC000177086670 454821436 /nfs/dbraw/zinc/82/14/36/454821436.db2.gz DCIAUVYSFDEMSY-SFHVURJKSA-N 1 2 346.352 3.047 20 30 EGEDLO C#CCN(C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1CCCC1 ZINC000164799594 454889441 /nfs/dbraw/zinc/88/94/41/454889441.db2.gz APNDJFNBCFCHNL-UHFFFAOYSA-N 1 2 340.402 3.099 20 30 EGEDLO CC[C@@H](C#N)Sc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000127016324 454932712 /nfs/dbraw/zinc/93/27/12/454932712.db2.gz KBFCWSCVLGUBIY-INIZCTEOSA-N 1 2 341.484 3.316 20 30 EGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C#Cc1ccccc1 ZINC000267014765 455492668 /nfs/dbraw/zinc/49/26/68/455492668.db2.gz BZKLYIYAPUNESD-UHFFFAOYSA-N 1 2 347.462 3.198 20 30 EGEDLO N#CCCCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000178377863 454953070 /nfs/dbraw/zinc/95/30/70/454953070.db2.gz CLBCUVGBULOZJO-ZWKOTPCHSA-N 1 2 337.427 3.105 20 30 EGEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000155236504 454978153 /nfs/dbraw/zinc/97/81/53/454978153.db2.gz YZEYMLDOJCDPCU-KGLIPLIRSA-N 1 2 344.484 3.125 20 30 EGEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000155236504 454978155 /nfs/dbraw/zinc/97/81/55/454978155.db2.gz YZEYMLDOJCDPCU-KGLIPLIRSA-N 1 2 344.484 3.125 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+](C)[C@H](C)c2cccnc2)c(C#N)c1C ZINC000127745777 454993817 /nfs/dbraw/zinc/99/38/17/454993817.db2.gz WTCRQFQPPGECMN-GFCCVEGCSA-N 1 2 328.441 3.263 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+](C)[C@H](C)c2cccnc2)c(C#N)c1C ZINC000127745777 454993821 /nfs/dbraw/zinc/99/38/21/454993821.db2.gz WTCRQFQPPGECMN-GFCCVEGCSA-N 1 2 328.441 3.263 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000152250114 455092024 /nfs/dbraw/zinc/09/20/24/455092024.db2.gz IBMDEZVQQUOULG-CQSZACIVSA-N 1 2 325.391 3.072 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152250114 455092027 /nfs/dbraw/zinc/09/20/27/455092027.db2.gz IBMDEZVQQUOULG-CQSZACIVSA-N 1 2 325.391 3.072 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152250114 455092032 /nfs/dbraw/zinc/09/20/32/455092032.db2.gz IBMDEZVQQUOULG-CQSZACIVSA-N 1 2 325.391 3.072 20 30 EGEDLO COc1ccc(C#N)cc1C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000156326042 455104922 /nfs/dbraw/zinc/10/49/22/455104922.db2.gz XIEVLEUHLWUDPD-SFHVURJKSA-N 1 2 326.396 3.341 20 30 EGEDLO COc1ccc(C#N)cc1C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000156326042 455104924 /nfs/dbraw/zinc/10/49/24/455104924.db2.gz XIEVLEUHLWUDPD-SFHVURJKSA-N 1 2 326.396 3.341 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000156822090 455151866 /nfs/dbraw/zinc/15/18/66/455151866.db2.gz XPULUVLKZRDJOB-CYBMUJFWSA-N 1 2 342.830 3.059 20 30 EGEDLO CN(C)c1ccc(NCc2cn(C)nc2-c2ccc(C#N)cc2)[nH+]c1 ZINC000180307055 455156608 /nfs/dbraw/zinc/15/66/08/455156608.db2.gz DLOKETYNURFUJF-UHFFFAOYSA-N 1 2 332.411 3.032 20 30 EGEDLO C[C@H]1CSCC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000172590653 455163670 /nfs/dbraw/zinc/16/36/70/455163670.db2.gz UIULHWBWVWODQY-LBPRGKRZSA-N 1 2 349.525 3.264 20 30 EGEDLO C[C@H]1CSCC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000172590653 455163673 /nfs/dbraw/zinc/16/36/73/455163673.db2.gz UIULHWBWVWODQY-LBPRGKRZSA-N 1 2 349.525 3.264 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CC1(c2ccccc2)CC1 ZINC000189306964 455174381 /nfs/dbraw/zinc/17/43/81/455174381.db2.gz SEBLDDWALIGUJE-LJQANCHMSA-N 1 2 334.419 3.436 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000189306964 455174387 /nfs/dbraw/zinc/17/43/87/455174387.db2.gz SEBLDDWALIGUJE-LJQANCHMSA-N 1 2 334.419 3.436 20 30 EGEDLO C=CC[N@@H+](CCOC)Cc1csc(-c2ccc(C(=O)OC)cc2)n1 ZINC000191148679 455453025 /nfs/dbraw/zinc/45/30/25/455453025.db2.gz DHYGOUXJLTUKMV-UHFFFAOYSA-N 1 2 346.452 3.231 20 30 EGEDLO C=CC[N@H+](CCOC)Cc1csc(-c2ccc(C(=O)OC)cc2)n1 ZINC000191148679 455453028 /nfs/dbraw/zinc/45/30/28/455453028.db2.gz DHYGOUXJLTUKMV-UHFFFAOYSA-N 1 2 346.452 3.231 20 30 EGEDLO C[C@H]1CN(c2ccc(Nc3ccc(Cl)c(C#N)n3)c[nH+]2)C[C@H](C)O1 ZINC000267246021 455523534 /nfs/dbraw/zinc/52/35/34/455523534.db2.gz SWJDLKAOMOHKCV-RYUDHWBXSA-N 1 2 343.818 3.359 20 30 EGEDLO N#CC1(NC(=O)C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)CCCCC1 ZINC000185334673 455542129 /nfs/dbraw/zinc/54/21/29/455542129.db2.gz AYEJXAXJEKEGIZ-AWEZNQCLSA-N 1 2 347.409 3.097 20 30 EGEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)CCCCC1 ZINC000185334673 455542132 /nfs/dbraw/zinc/54/21/32/455542132.db2.gz AYEJXAXJEKEGIZ-AWEZNQCLSA-N 1 2 347.409 3.097 20 30 EGEDLO C=CCN(C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)C1CC1 ZINC000271561302 455684461 /nfs/dbraw/zinc/68/44/61/455684461.db2.gz PRLPMMXNECQEPY-OAHLLOKOSA-N 1 2 329.444 3.262 20 30 EGEDLO CCCCCCCCC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000248290271 455703467 /nfs/dbraw/zinc/70/34/67/455703467.db2.gz SFJYECXSVCNKLV-UHFFFAOYSA-N 1 2 333.476 3.285 20 30 EGEDLO COc1ccccc1C[N@H+](CC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000193516692 455763375 /nfs/dbraw/zinc/76/33/75/455763375.db2.gz GONOIWPAWAVRRE-UHFFFAOYSA-N 1 2 335.407 3.170 20 30 EGEDLO COc1ccccc1C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000193516692 455763381 /nfs/dbraw/zinc/76/33/81/455763381.db2.gz GONOIWPAWAVRRE-UHFFFAOYSA-N 1 2 335.407 3.170 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1conc1CC ZINC000293437010 455786748 /nfs/dbraw/zinc/78/67/48/455786748.db2.gz OJAGLGWAZYRXGP-CQSZACIVSA-N 1 2 347.484 3.334 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)Cc1conc1CC ZINC000293437010 455786751 /nfs/dbraw/zinc/78/67/51/455786751.db2.gz OJAGLGWAZYRXGP-CQSZACIVSA-N 1 2 347.484 3.334 20 30 EGEDLO Cc1cccn2cc(COc3ccccc3C(=O)N(C)[C@H](C)C#N)[nH+]c12 ZINC000294190385 455807933 /nfs/dbraw/zinc/80/79/33/455807933.db2.gz FQCMWGKYEYGBCI-OAHLLOKOSA-N 1 2 348.406 3.206 20 30 EGEDLO N#Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)ccc1F ZINC000278718029 455845716 /nfs/dbraw/zinc/84/57/16/455845716.db2.gz CHZHRLKBLLSEDC-UHFFFAOYSA-N 1 2 338.386 3.013 20 30 EGEDLO COC(=O)c1csc(CNc2[nH+]cccc2OCCCC#N)c1 ZINC000601066997 460697069 /nfs/dbraw/zinc/69/70/69/460697069.db2.gz VGQUEKQKTYHPPZ-UHFFFAOYSA-N 1 2 331.397 3.224 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2c[nH]nc2-c2ccccc2F)n1 ZINC000279343913 455863839 /nfs/dbraw/zinc/86/38/39/455863839.db2.gz FJGLCDOVLJAXFA-UHFFFAOYSA-N 1 2 337.402 3.068 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2c[nH]nc2-c2ccccc2F)n1 ZINC000279343913 455863845 /nfs/dbraw/zinc/86/38/45/455863845.db2.gz FJGLCDOVLJAXFA-UHFFFAOYSA-N 1 2 337.402 3.068 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2c(C3CC3)nc3sccn23)n1 ZINC000279459392 455865871 /nfs/dbraw/zinc/86/58/71/455865871.db2.gz UFRAEQSNQDMMML-UHFFFAOYSA-N 1 2 339.468 3.125 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2c(C3CC3)nc3sccn23)n1 ZINC000279459392 455865874 /nfs/dbraw/zinc/86/58/74/455865874.db2.gz UFRAEQSNQDMMML-UHFFFAOYSA-N 1 2 339.468 3.125 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cn(C)nc2C2CCCCC2)n1 ZINC000279457441 455866005 /nfs/dbraw/zinc/86/60/05/455866005.db2.gz UCOZVUTXTBAXRD-UHFFFAOYSA-N 1 2 339.487 3.320 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cn(C)nc2C2CCCCC2)n1 ZINC000279457441 455866007 /nfs/dbraw/zinc/86/60/07/455866007.db2.gz UCOZVUTXTBAXRD-UHFFFAOYSA-N 1 2 339.487 3.320 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(Br)cs2)n1 ZINC000279704176 455871480 /nfs/dbraw/zinc/87/14/80/455871480.db2.gz JKYSZGPRZMIUGY-UHFFFAOYSA-N 1 2 338.274 3.362 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(Br)cs2)n1 ZINC000279704176 455871484 /nfs/dbraw/zinc/87/14/84/455871484.db2.gz JKYSZGPRZMIUGY-UHFFFAOYSA-N 1 2 338.274 3.362 20 30 EGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000279755277 455872879 /nfs/dbraw/zinc/87/28/79/455872879.db2.gz LUUXXRVMEMFILI-AEFFLSMTSA-N 1 2 343.471 3.069 20 30 EGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000279755277 455872882 /nfs/dbraw/zinc/87/28/82/455872882.db2.gz LUUXXRVMEMFILI-AEFFLSMTSA-N 1 2 343.471 3.069 20 30 EGEDLO CC(C)[N@H+](CC(=O)N1CCCCCC1)Cc1ccc(C#N)cc1F ZINC000285592309 455876842 /nfs/dbraw/zinc/87/68/42/455876842.db2.gz ITUYMMULFJEYAX-UHFFFAOYSA-N 1 2 331.435 3.310 20 30 EGEDLO CC(C)[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc(C#N)cc1F ZINC000285592309 455876850 /nfs/dbraw/zinc/87/68/50/455876850.db2.gz ITUYMMULFJEYAX-UHFFFAOYSA-N 1 2 331.435 3.310 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000280016308 455880826 /nfs/dbraw/zinc/88/08/26/455880826.db2.gz FGEGINKDQQHKPQ-ADLMAVQZSA-N 1 2 346.381 3.212 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000272292804 455903454 /nfs/dbraw/zinc/90/34/54/455903454.db2.gz OHIJDLZSLDUFPX-UHFFFAOYSA-N 1 2 327.384 3.030 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000272292804 455903457 /nfs/dbraw/zinc/90/34/57/455903457.db2.gz OHIJDLZSLDUFPX-UHFFFAOYSA-N 1 2 327.384 3.030 20 30 EGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1 ZINC000296298681 455903438 /nfs/dbraw/zinc/90/34/38/455903438.db2.gz MMRFLTORHYJJMQ-BEFAXECRSA-N 1 2 343.496 3.427 20 30 EGEDLO C[C@@H](NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C)c1ccc(C#N)cc1 ZINC000296366204 455919248 /nfs/dbraw/zinc/91/92/48/455919248.db2.gz OVJWULDLOXHOCI-CJNGLKHVSA-N 1 2 337.427 3.145 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)cc1Cl ZINC000280229415 455921935 /nfs/dbraw/zinc/92/19/35/455921935.db2.gz JPVQDBVBLLTZAG-KSSFIOAISA-N 1 2 337.847 3.285 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)cc1Cl ZINC000280229415 455921943 /nfs/dbraw/zinc/92/19/43/455921943.db2.gz JPVQDBVBLLTZAG-KSSFIOAISA-N 1 2 337.847 3.285 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000195348443 455947365 /nfs/dbraw/zinc/94/73/65/455947365.db2.gz PLWMEMFGZKJKAF-CQSZACIVSA-N 1 2 329.469 3.490 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000195348443 455947372 /nfs/dbraw/zinc/94/73/72/455947372.db2.gz PLWMEMFGZKJKAF-CQSZACIVSA-N 1 2 329.469 3.490 20 30 EGEDLO CC1(C#N)CC[NH+](CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000272591314 456004835 /nfs/dbraw/zinc/00/48/35/456004835.db2.gz POMKXHQSCVMSNE-UHFFFAOYSA-N 1 2 325.334 3.270 20 30 EGEDLO Cc1nsc(N2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)c1C#N ZINC000286736441 456052926 /nfs/dbraw/zinc/05/29/26/456052926.db2.gz FYZOFJSLIGHLFC-CQSZACIVSA-N 1 2 337.452 3.078 20 30 EGEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1c(C)cc[nH+]c1C ZINC000287383762 456068577 /nfs/dbraw/zinc/06/85/77/456068577.db2.gz CFLNRUYVQUMBFV-UHFFFAOYSA-N 1 2 338.411 3.251 20 30 EGEDLO Cc1ccc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c(C)[nH+]1 ZINC000287611256 456073723 /nfs/dbraw/zinc/07/37/23/456073723.db2.gz YTZUQFXFAIYLGO-HNNXBMFYSA-N 1 2 338.386 3.174 20 30 EGEDLO C=CCc1cc(C[NH2+]Cc2nccc(C(F)F)n2)cc(OC)c1O ZINC000288440102 456096240 /nfs/dbraw/zinc/09/62/40/456096240.db2.gz LSHQDMKCHVSAGW-UHFFFAOYSA-N 1 2 335.354 3.147 20 30 EGEDLO COc1cc2nc(N[C@@H](C)c3cccc(C#N)c3)[nH+]c(N)c2cc1OC ZINC000301456987 456120543 /nfs/dbraw/zinc/12/05/43/456120543.db2.gz SGMXWCZFBDGTBE-NSHDSACASA-N 1 2 349.394 3.274 20 30 EGEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000188970467 456184828 /nfs/dbraw/zinc/18/48/28/456184828.db2.gz PGBVGDSPKRTLLI-AWEZNQCLSA-N 1 2 337.210 3.041 20 30 EGEDLO C=CC[C@H](CC)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000281273994 456186495 /nfs/dbraw/zinc/18/64/95/456186495.db2.gz GBRPIYFNKXYQLP-HNNXBMFYSA-N 1 2 328.416 3.438 20 30 EGEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)c1cc(C#N)oc1C ZINC000281307284 456197121 /nfs/dbraw/zinc/19/71/21/456197121.db2.gz NYXHZJCLKSDIEG-HNNXBMFYSA-N 1 2 348.406 3.423 20 30 EGEDLO C=CCN(C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)C1CC1 ZINC000297459426 456226165 /nfs/dbraw/zinc/22/61/65/456226165.db2.gz CFRCGVVOGZGBCI-UHFFFAOYSA-N 1 2 330.819 3.386 20 30 EGEDLO C=C(Br)C[NH2+][C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000273424161 456230569 /nfs/dbraw/zinc/23/05/69/456230569.db2.gz WADMTHRVKGLOFW-JTQLQIEISA-N 1 2 338.205 3.304 20 30 EGEDLO Cc1nnc([C@H](C)[NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)s1 ZINC000273546865 456238073 /nfs/dbraw/zinc/23/80/73/456238073.db2.gz BIBXMNVFOCTJAY-JTQLQIEISA-N 1 2 341.358 3.447 20 30 EGEDLO C=CC[C@H](CC)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000281506693 456252127 /nfs/dbraw/zinc/25/21/27/456252127.db2.gz XBYBIDBGKXGBBO-INIZCTEOSA-N 1 2 330.476 3.463 20 30 EGEDLO C=C(C)[C@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000274742961 456264870 /nfs/dbraw/zinc/26/48/70/456264870.db2.gz YVWADCVJZOJXSO-WBMJQRKESA-N 1 2 334.370 3.166 20 30 EGEDLO N#CC[N@@H+](CC1CCN(C(=O)OCc2ccccc2)CC1)C1CC1 ZINC000281950717 456370543 /nfs/dbraw/zinc/37/05/43/456370543.db2.gz JOLCLRQZDFZZFC-UHFFFAOYSA-N 1 2 327.428 3.023 20 30 EGEDLO N#CC[N@H+](CC1CCN(C(=O)OCc2ccccc2)CC1)C1CC1 ZINC000281950717 456370548 /nfs/dbraw/zinc/37/05/48/456370548.db2.gz JOLCLRQZDFZZFC-UHFFFAOYSA-N 1 2 327.428 3.023 20 30 EGEDLO Cn1c2ccccc2[nH+]c1N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000290711321 456412854 /nfs/dbraw/zinc/41/28/54/456412854.db2.gz XLLSTQPDSQSXIU-UHFFFAOYSA-N 1 2 332.407 3.493 20 30 EGEDLO COCC1(C#N)CCN(c2c(C)c[nH+]c3c(OC)cccc32)CC1 ZINC000343154489 456437828 /nfs/dbraw/zinc/43/78/28/456437828.db2.gz DQZIVLBJYGCYHE-UHFFFAOYSA-N 1 2 325.412 3.308 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NCc1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000343154181 456438144 /nfs/dbraw/zinc/43/81/44/456438144.db2.gz PLZFWSKWFDRRCU-MRXNPFEDSA-N 1 2 326.787 3.417 20 30 EGEDLO N#CCCCOc1cccc(CNc2ccc(N3CCCC3)c[nH+]2)c1 ZINC000343370154 456567455 /nfs/dbraw/zinc/56/74/55/456567455.db2.gz QSYLLVGRRMWVBH-UHFFFAOYSA-N 1 2 336.439 3.398 20 30 EGEDLO CSc1ccccc1C[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000348323011 456622302 /nfs/dbraw/zinc/62/23/02/456622302.db2.gz FBBLBVOHDYXDPY-UHFFFAOYSA-N 1 2 325.437 3.351 20 30 EGEDLO CSc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000348323011 456622308 /nfs/dbraw/zinc/62/23/08/456622308.db2.gz FBBLBVOHDYXDPY-UHFFFAOYSA-N 1 2 325.437 3.351 20 30 EGEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000299164970 456624189 /nfs/dbraw/zinc/62/41/89/456624189.db2.gz NLFWPXWTNPHYQY-DLBZAZTESA-N 1 2 335.451 3.372 20 30 EGEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000299164970 456624193 /nfs/dbraw/zinc/62/41/93/456624193.db2.gz NLFWPXWTNPHYQY-DLBZAZTESA-N 1 2 335.451 3.372 20 30 EGEDLO C[C@H](NC(=O)Cc1c(F)cccc1C#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000353369861 456654725 /nfs/dbraw/zinc/65/47/25/456654725.db2.gz BAEQHQSWFIZFTG-AWEZNQCLSA-N 1 2 348.381 3.303 20 30 EGEDLO Cc1c(Cl)cnc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1C#N ZINC000343520097 456679575 /nfs/dbraw/zinc/67/95/75/456679575.db2.gz CXBPARPJCJBDIN-UHFFFAOYSA-N 1 2 341.777 3.274 20 30 EGEDLO Cc1[nH+]c2cc(CNC(=O)Cc3ccc(C#N)cc3)ccc2n1C1CC1 ZINC000283009322 456689233 /nfs/dbraw/zinc/68/92/33/456689233.db2.gz WEXOBLMRSJJTLC-UHFFFAOYSA-N 1 2 344.418 3.410 20 30 EGEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000353472560 456700618 /nfs/dbraw/zinc/70/06/18/456700618.db2.gz OSVHRSLUFSXMKH-KDOFPFPSSA-N 1 2 333.863 3.485 20 30 EGEDLO CC#CC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000283203236 456735625 /nfs/dbraw/zinc/73/56/25/456735625.db2.gz MSLARGCNJDMSEF-UHFFFAOYSA-N 1 2 333.794 3.118 20 30 EGEDLO CC(C)(CNC(=O)Nc1cccc2ccsc21)[NH+]1CCOCC1 ZINC000328697709 456739589 /nfs/dbraw/zinc/73/95/89/456739589.db2.gz DSCWBVIHRKMPRK-UHFFFAOYSA-N 1 2 333.457 3.338 20 30 EGEDLO Cc1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@@H]2C)[NH+]2CCOCC2)cc1 ZINC000328863381 456779521 /nfs/dbraw/zinc/77/95/21/456779521.db2.gz ZGCIZKYGUHZITF-UHOSZYNNSA-N 1 2 345.487 3.061 20 30 EGEDLO C#CC[NH+]1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301101779 456796760 /nfs/dbraw/zinc/79/67/60/456796760.db2.gz YTLXBLQGICQXJN-UHFFFAOYSA-N 1 2 347.724 3.022 20 30 EGEDLO CC(C)c1ccccc1NC(=O)C[N@@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000328964465 456802415 /nfs/dbraw/zinc/80/24/15/456802415.db2.gz LXMMCZDQYIBSGE-QRQLOZEOSA-N 1 2 346.471 3.260 20 30 EGEDLO CC(C)c1ccccc1NC(=O)C[N@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000328964465 456802422 /nfs/dbraw/zinc/80/24/22/456802422.db2.gz LXMMCZDQYIBSGE-QRQLOZEOSA-N 1 2 346.471 3.260 20 30 EGEDLO CC#CCN(C)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000341013821 456809899 /nfs/dbraw/zinc/80/98/99/456809899.db2.gz DHSZFOWALVHNFY-INIZCTEOSA-N 1 2 349.272 3.068 20 30 EGEDLO C=CCC(C)(C)c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000291954787 456810559 /nfs/dbraw/zinc/81/05/59/456810559.db2.gz RHCOKJBUFHACRZ-INIZCTEOSA-N 1 2 327.428 3.497 20 30 EGEDLO C=CCC(C)(C)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000291954787 456810565 /nfs/dbraw/zinc/81/05/65/456810565.db2.gz RHCOKJBUFHACRZ-INIZCTEOSA-N 1 2 327.428 3.497 20 30 EGEDLO CC(=O)N1CC[N@H+](CC(=O)NC2CCCCC2)CC12CCCCC2 ZINC000329029092 456817436 /nfs/dbraw/zinc/81/74/36/456817436.db2.gz KSFQLWUYGHHLNX-UHFFFAOYSA-N 1 2 335.492 3.143 20 30 EGEDLO CC(=O)N1CC[N@@H+](CC(=O)NC2CCCCC2)CC12CCCCC2 ZINC000329029092 456817443 /nfs/dbraw/zinc/81/74/43/456817443.db2.gz KSFQLWUYGHHLNX-UHFFFAOYSA-N 1 2 335.492 3.143 20 30 EGEDLO CCc1[nH+]c2cc(CNC(=O)NCCCCC#N)ccc2n1C1CC1 ZINC000338470463 456829243 /nfs/dbraw/zinc/82/92/43/456829243.db2.gz VLLLUWHQSYKCLX-UHFFFAOYSA-N 1 2 339.443 3.427 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)[C@@H]1O[C@H](C)C[C@@H]1C)C1CCOCC1 ZINC000329077301 456831198 /nfs/dbraw/zinc/83/11/98/456831198.db2.gz CMDYJZHYBUBTSU-SJXGUFTOSA-N 1 2 335.448 3.141 20 30 EGEDLO CCc1[nH+]c2cc(CNC(=O)NCCCC#N)ccc2n1C1CC1 ZINC000338491956 456833214 /nfs/dbraw/zinc/83/32/14/456833214.db2.gz KSARJFUYLSERQR-UHFFFAOYSA-N 1 2 325.416 3.037 20 30 EGEDLO C=CC[N@@H+](CCS(=O)(=O)c1cccc(OC)c1)Cc1ccccc1 ZINC000338792750 456858607 /nfs/dbraw/zinc/85/86/07/456858607.db2.gz WYCCXEIGYTXTOK-UHFFFAOYSA-N 1 2 345.464 3.157 20 30 EGEDLO C=CC[N@H+](CCS(=O)(=O)c1cccc(OC)c1)Cc1ccccc1 ZINC000338792750 456858615 /nfs/dbraw/zinc/85/86/15/456858615.db2.gz WYCCXEIGYTXTOK-UHFFFAOYSA-N 1 2 345.464 3.157 20 30 EGEDLO C[C@@H]1CCC[C@H](N(C)C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)C1 ZINC000329318456 456872105 /nfs/dbraw/zinc/87/21/05/456872105.db2.gz IGQQTFUKAKMKLG-PVAVHDDUSA-N 1 2 348.491 3.312 20 30 EGEDLO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292198439 456883021 /nfs/dbraw/zinc/88/30/21/456883021.db2.gz NPPWTFGPVMFTJU-HIFRSBDPSA-N 1 2 340.427 3.453 20 30 EGEDLO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292198439 456883025 /nfs/dbraw/zinc/88/30/25/456883025.db2.gz NPPWTFGPVMFTJU-HIFRSBDPSA-N 1 2 340.427 3.453 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@H](C)[C@@H]1C)C1CCOCC1 ZINC000329513712 456903395 /nfs/dbraw/zinc/90/33/95/456903395.db2.gz YBWOFINTVVYFAP-YQQAZPJKSA-N 1 2 348.491 3.405 20 30 EGEDLO C=CC1CCN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000349178375 456903906 /nfs/dbraw/zinc/90/39/06/456903906.db2.gz RIIDTRMRHPWTSA-UHFFFAOYSA-N 1 2 329.469 3.301 20 30 EGEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H]1c1cccc(F)c1 ZINC000329544820 456906212 /nfs/dbraw/zinc/90/62/12/456906212.db2.gz GIFIYYFRPLWZIS-PBHICJAKSA-N 1 2 328.391 3.157 20 30 EGEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@H]1c1cccc(F)c1 ZINC000329544820 456906216 /nfs/dbraw/zinc/90/62/16/456906216.db2.gz GIFIYYFRPLWZIS-PBHICJAKSA-N 1 2 328.391 3.157 20 30 EGEDLO [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+][C@H]1CCCCC12CCCC2 ZINC000329606896 456914537 /nfs/dbraw/zinc/91/45/37/456914537.db2.gz IEZCLQFQPPQQCR-HOTGVXAUSA-N 1 2 330.476 3.452 20 30 EGEDLO C[C@@H]1C[C@H](c2ccccc2F)N(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329612956 456915756 /nfs/dbraw/zinc/91/57/56/456915756.db2.gz OQSYPNHNABERKP-FHSNZYRGSA-N 1 2 342.418 3.403 20 30 EGEDLO C[C@@H]1C[C@H](c2ccccc2F)N(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329612956 456915760 /nfs/dbraw/zinc/91/57/60/456915760.db2.gz OQSYPNHNABERKP-FHSNZYRGSA-N 1 2 342.418 3.403 20 30 EGEDLO C[C@H](c1nccs1)[NH+]1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000329631243 456918128 /nfs/dbraw/zinc/91/81/28/456918128.db2.gz RGTHDMDMFPRPMM-CQSZACIVSA-N 1 2 349.463 3.446 20 30 EGEDLO CC1(CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)COC1 ZINC000329635573 456919133 /nfs/dbraw/zinc/91/91/33/456919133.db2.gz UNVBXVOMLZLLHE-UHFFFAOYSA-N 1 2 340.427 3.249 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccon1 ZINC000349249030 456923877 /nfs/dbraw/zinc/92/38/77/456923877.db2.gz WOSKXXSHNFRYKV-CHWSQXEVSA-N 1 2 344.440 3.358 20 30 EGEDLO N#CC[C@H](CC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1 ZINC000353825007 456924115 /nfs/dbraw/zinc/92/41/15/456924115.db2.gz KFOGZLCUXSQICG-LJQANCHMSA-N 1 2 348.450 3.386 20 30 EGEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)C[C@@H]2C=CCCC2)cn1 ZINC000329951259 456965457 /nfs/dbraw/zinc/96/54/57/456965457.db2.gz MSVXUBDJYUWUOV-PVAVHDDUSA-N 1 2 334.439 3.035 20 30 EGEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)C[C@@H]2C=CCCC2)cn1 ZINC000329951259 456965460 /nfs/dbraw/zinc/96/54/60/456965460.db2.gz MSVXUBDJYUWUOV-PVAVHDDUSA-N 1 2 334.439 3.035 20 30 EGEDLO CC[N@H+](CCOc1ccccc1C#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000345209330 456968052 /nfs/dbraw/zinc/96/80/52/456968052.db2.gz LVFAILKHXHIFTQ-UHFFFAOYSA-N 1 2 348.406 3.108 20 30 EGEDLO CC[N@@H+](CCOc1ccccc1C#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000345209330 456968056 /nfs/dbraw/zinc/96/80/56/456968056.db2.gz LVFAILKHXHIFTQ-UHFFFAOYSA-N 1 2 348.406 3.108 20 30 EGEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)N[C@H]2CCCc3ccc(F)cc32)C1 ZINC000330028795 456977087 /nfs/dbraw/zinc/97/70/87/456977087.db2.gz PEOWNPQRPXOCIQ-YOEHRIQHSA-N 1 2 342.418 3.340 20 30 EGEDLO Cn1c(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)nc2cccc(Cl)c21 ZINC000330060681 456980120 /nfs/dbraw/zinc/98/01/20/456980120.db2.gz NBIYNTYLOXXLEI-LLVKDONJSA-N 1 2 343.818 3.142 20 30 EGEDLO Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330105080 456985419 /nfs/dbraw/zinc/98/54/19/456985419.db2.gz IBXGQCNYXVGKOR-TXPKVOOTSA-N 1 2 332.444 3.241 20 30 EGEDLO Cc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330105080 456985422 /nfs/dbraw/zinc/98/54/22/456985422.db2.gz IBXGQCNYXVGKOR-TXPKVOOTSA-N 1 2 332.444 3.241 20 30 EGEDLO CC(C)c1ncc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000349613395 456995146 /nfs/dbraw/zinc/99/51/46/456995146.db2.gz KUSPDFARNDLVEG-UHFFFAOYSA-N 1 2 340.496 3.456 20 30 EGEDLO CC(C)c1ncc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)s1 ZINC000349613395 456995149 /nfs/dbraw/zinc/99/51/49/456995149.db2.gz KUSPDFARNDLVEG-UHFFFAOYSA-N 1 2 340.496 3.456 20 30 EGEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCOC3(CCC3)C2)C1 ZINC000330213382 457003431 /nfs/dbraw/zinc/00/34/31/457003431.db2.gz FJEBDLKABYPCEX-JKSUJKDBSA-N 1 2 346.475 3.098 20 30 EGEDLO C=CCN(Cc1ccccc1)C(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339242484 457012124 /nfs/dbraw/zinc/01/21/24/457012124.db2.gz MFZMKOAXSJERMN-OALUTQOASA-N 1 2 330.472 3.091 20 30 EGEDLO C=CCN(Cc1ccccc1)C(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000339242484 457012128 /nfs/dbraw/zinc/01/21/28/457012128.db2.gz MFZMKOAXSJERMN-OALUTQOASA-N 1 2 330.472 3.091 20 30 EGEDLO COC1CCC(CNC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)CC1 ZINC000330264405 457016110 /nfs/dbraw/zinc/01/61/10/457016110.db2.gz XXBXJJRSIUULKI-UHFFFAOYSA-N 1 2 348.491 3.021 20 30 EGEDLO Cn1c2ccc(NC(=O)c3cc4n(n3)CCCO4)cc2[nH+]c1C1CC1 ZINC000330286821 457021945 /nfs/dbraw/zinc/02/19/45/457021945.db2.gz BVOCSFUYJUQKPR-UHFFFAOYSA-N 1 2 337.383 3.066 20 30 EGEDLO CC[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)C1 ZINC000330323899 457027860 /nfs/dbraw/zinc/02/78/60/457027860.db2.gz HZFXULJOKZHXEA-JYYAWHABSA-N 1 2 334.464 3.113 20 30 EGEDLO COc1cc2c(cc1CNc1[nH+]cccc1OCCCC#N)OCO2 ZINC000342014993 457059982 /nfs/dbraw/zinc/05/99/82/457059982.db2.gz HICOMBQMFZNUGY-UHFFFAOYSA-N 1 2 341.367 3.114 20 30 EGEDLO CCNc1ccc(C#N)cc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000354099280 457062323 /nfs/dbraw/zinc/06/23/23/457062323.db2.gz DJJYUNNSXBPBTO-UHFFFAOYSA-N 1 2 345.406 3.487 20 30 EGEDLO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@H]2C#N)cc1 ZINC000330656462 457066254 /nfs/dbraw/zinc/06/62/54/457066254.db2.gz LLPHVBOEXQUSLU-WMLDXEAASA-N 1 2 334.485 3.040 20 30 EGEDLO Cc1cc(NC(=O)N[C@H](CO)C(C)(C)C)c[nH+]c1N1CCCC[C@H]1C ZINC000330782487 457085280 /nfs/dbraw/zinc/08/52/80/457085280.db2.gz HDLMNNRQLMPUSZ-GDBMZVCRSA-N 1 2 348.491 3.311 20 30 EGEDLO CC[C@](C)(CO)NC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000330789433 457086121 /nfs/dbraw/zinc/08/61/21/457086121.db2.gz ZOJAMOZISCTRNW-KBXCAEBGSA-N 1 2 334.464 3.065 20 30 EGEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(F)c(Cl)c3)CC2)c1 ZINC000349970896 457127659 /nfs/dbraw/zinc/12/76/59/457127659.db2.gz JRCOCJAWXYUWGH-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCc2cc(OC)c(Cl)cc2C1 ZINC000339737611 457241391 /nfs/dbraw/zinc/24/13/91/457241391.db2.gz UBNVOISLGFZGDO-AWEZNQCLSA-N 1 2 348.874 3.296 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCc2cc(OC)c(Cl)cc2C1 ZINC000339737611 457241395 /nfs/dbraw/zinc/24/13/95/457241395.db2.gz UBNVOISLGFZGDO-AWEZNQCLSA-N 1 2 348.874 3.296 20 30 EGEDLO C=C(C)COCCNC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000354766031 457317485 /nfs/dbraw/zinc/31/74/85/457317485.db2.gz CPGPOZFBVYUYOX-UHFFFAOYSA-N 1 2 327.428 3.013 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@](C)(F)C2)c1 ZINC000347355961 457371569 /nfs/dbraw/zinc/37/15/69/457371569.db2.gz QQQOXCIBQHWVCS-VQIMIIECSA-N 1 2 331.435 3.373 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@](C)(F)C2)c1 ZINC000347355961 457371572 /nfs/dbraw/zinc/37/15/72/457371572.db2.gz QQQOXCIBQHWVCS-VQIMIIECSA-N 1 2 331.435 3.373 20 30 EGEDLO C=C(Br)C[NH+]1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC000363661212 457402440 /nfs/dbraw/zinc/40/24/40/457402440.db2.gz IYMVYCVWCICTLC-HNNXBMFYSA-N 1 2 335.245 3.343 20 30 EGEDLO N#C[C@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1c1ccccc1 ZINC000355876954 457425600 /nfs/dbraw/zinc/42/56/00/457425600.db2.gz BXECGJDWYVZGAE-AZUAARDMSA-N 1 2 342.402 3.252 20 30 EGEDLO N#Cc1ccc(NCc2cccc(Cn3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000357297316 457429579 /nfs/dbraw/zinc/42/95/79/457429579.db2.gz GFWMCNNMJDHJOZ-UHFFFAOYSA-N 1 2 333.351 3.323 20 30 EGEDLO CCC(CC)CN(CCC#N)C(=O)[C@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000352638492 457496952 /nfs/dbraw/zinc/49/69/52/457496952.db2.gz UYCHZWHICLQTEN-WMZOPIPTSA-N 1 2 342.487 3.332 20 30 EGEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000364434633 457603074 /nfs/dbraw/zinc/60/30/74/457603074.db2.gz NZRVXSNBMAIHNF-UHFFFAOYSA-N 1 2 346.793 3.184 20 30 EGEDLO CCc1cnccc1[C@@H](C)[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000361133937 457603956 /nfs/dbraw/zinc/60/39/56/457603956.db2.gz APDJNZWJLDYINF-CYBMUJFWSA-N 1 2 333.395 3.416 20 30 EGEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1cccc(Br)c1C#N ZINC000357691292 457659045 /nfs/dbraw/zinc/65/90/45/457659045.db2.gz NAGNGYWFQUMUEV-UHFFFAOYSA-N 1 2 345.244 3.490 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](CO)c1c(Cl)cccc1Cl ZINC000361541599 457781903 /nfs/dbraw/zinc/78/19/03/457781903.db2.gz QXGWNBJZLKSSAG-CQSZACIVSA-N 1 2 345.270 3.041 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N)c1 ZINC000433305250 457804632 /nfs/dbraw/zinc/80/46/32/457804632.db2.gz PEONLJSDIUOFSW-KRWDZBQOSA-N 1 2 340.471 3.420 20 30 EGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N)c1 ZINC000433305250 457804639 /nfs/dbraw/zinc/80/46/39/457804639.db2.gz PEONLJSDIUOFSW-KRWDZBQOSA-N 1 2 340.471 3.420 20 30 EGEDLO CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+](C)CC(C)(C)C#N)cc1 ZINC000433313324 457807034 /nfs/dbraw/zinc/80/70/34/457807034.db2.gz VCTWEESSGIVECY-GOSISDBHSA-N 1 2 343.471 3.230 20 30 EGEDLO CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000433313324 457807037 /nfs/dbraw/zinc/80/70/37/457807037.db2.gz VCTWEESSGIVECY-GOSISDBHSA-N 1 2 343.471 3.230 20 30 EGEDLO Cc1cccn2c(CN3CCO[C@@H](c4cccc(C#N)c4)C3)c[nH+]c12 ZINC000371461999 457942785 /nfs/dbraw/zinc/94/27/85/457942785.db2.gz AUNFTFBAMUDPPH-LJQANCHMSA-N 1 2 332.407 3.088 20 30 EGEDLO COC(=O)[C@H](C)[N@H+](Cc1ccc(C#N)cc1OC(F)F)C1CCC1 ZINC000361965277 457981647 /nfs/dbraw/zinc/98/16/47/457981647.db2.gz FRPQYYWZAOGQMA-NSHDSACASA-N 1 2 338.354 3.076 20 30 EGEDLO COC(=O)[C@H](C)[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C1CCC1 ZINC000361965277 457981650 /nfs/dbraw/zinc/98/16/50/457981650.db2.gz FRPQYYWZAOGQMA-NSHDSACASA-N 1 2 338.354 3.076 20 30 EGEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N(Cc1ccccc1)C1CC1 ZINC000362172978 458038754 /nfs/dbraw/zinc/03/87/54/458038754.db2.gz IOSJMDYQBDUMAP-UHFFFAOYSA-N 1 2 327.472 3.439 20 30 EGEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N(Cc1ccccc1)C1CC1 ZINC000362172978 458038760 /nfs/dbraw/zinc/03/87/60/458038760.db2.gz IOSJMDYQBDUMAP-UHFFFAOYSA-N 1 2 327.472 3.439 20 30 EGEDLO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+](CC)C[C@@H](C)C#N)cc1 ZINC000358523322 458054483 /nfs/dbraw/zinc/05/44/83/458054483.db2.gz ACLIGFLHKLGVTO-LPHOPBHVSA-N 1 2 343.471 3.230 20 30 EGEDLO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](CC)C[C@@H](C)C#N)cc1 ZINC000358523322 458054490 /nfs/dbraw/zinc/05/44/90/458054490.db2.gz ACLIGFLHKLGVTO-LPHOPBHVSA-N 1 2 343.471 3.230 20 30 EGEDLO CC[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1occc1C ZINC000412040192 458059455 /nfs/dbraw/zinc/05/94/55/458059455.db2.gz LPXYIBRLXSNABJ-UHFFFAOYSA-N 1 2 325.412 3.357 20 30 EGEDLO CC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1occc1C ZINC000412040192 458059462 /nfs/dbraw/zinc/05/94/62/458059462.db2.gz LPXYIBRLXSNABJ-UHFFFAOYSA-N 1 2 325.412 3.357 20 30 EGEDLO C=CCSc1ccccc1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000362406656 458158268 /nfs/dbraw/zinc/15/82/68/458158268.db2.gz YZAGTJQQGUVSLT-CQSZACIVSA-N 1 2 327.453 3.328 20 30 EGEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1F)C1CC1 ZINC000372103321 458194957 /nfs/dbraw/zinc/19/49/57/458194957.db2.gz SYSJKMPXUFXSLS-HKUYNNGSSA-N 1 2 347.409 3.300 20 30 EGEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCC[C@H]1c1ccc(F)cc1F)C1CC1 ZINC000372103321 458194966 /nfs/dbraw/zinc/19/49/66/458194966.db2.gz SYSJKMPXUFXSLS-HKUYNNGSSA-N 1 2 347.409 3.300 20 30 EGEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(OC)cc1OCc1cccnc1 ZINC000446757307 458225318 /nfs/dbraw/zinc/22/53/18/458225318.db2.gz AIYALVDOUDGYPP-QGZVFWFLSA-N 1 2 325.412 3.451 20 30 EGEDLO C=C(CC)CNC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000459079910 458260850 /nfs/dbraw/zinc/26/08/50/458260850.db2.gz PFFPYZLIOQLNPJ-INIZCTEOSA-N 1 2 331.460 3.050 20 30 EGEDLO Cc1cc(NCC(C)(C)CC#N)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413398886 458299324 /nfs/dbraw/zinc/29/93/24/458299324.db2.gz ALOBHFLVAZQHDZ-UHFFFAOYSA-N 1 2 325.372 3.134 20 30 EGEDLO C=CCOc1cccc(NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000376464390 458308055 /nfs/dbraw/zinc/30/80/55/458308055.db2.gz QQWQFUSYTUUVRC-UHFFFAOYSA-N 1 2 340.427 3.448 20 30 EGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCC(C)(C)CC#N)n2)C1 ZINC000459317267 458327058 /nfs/dbraw/zinc/32/70/58/458327058.db2.gz BQSQMVMPIQHQOC-ZDUSSCGKSA-N 1 2 349.504 3.436 20 30 EGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC(C)(C)CC#N)n2)C1 ZINC000459317267 458327065 /nfs/dbraw/zinc/32/70/65/458327065.db2.gz BQSQMVMPIQHQOC-ZDUSSCGKSA-N 1 2 349.504 3.436 20 30 EGEDLO COC(=O)C[C@@](C)([NH2+]CC#Cc1ccc(Cl)cc1)c1ccccn1 ZINC000429638836 458355204 /nfs/dbraw/zinc/35/52/04/458355204.db2.gz WJHHPGWVDJELHY-LJQANCHMSA-N 1 2 342.826 3.155 20 30 EGEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000373175905 458418864 /nfs/dbraw/zinc/41/88/64/458418864.db2.gz AHGGUGVIMLDGBZ-UHFFFAOYSA-N 1 2 329.350 3.275 20 30 EGEDLO COc1cc(F)cc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000449042721 458419618 /nfs/dbraw/zinc/41/96/18/458419618.db2.gz UHTUXHABEMWQNN-LJQANCHMSA-N 1 2 326.371 3.279 20 30 EGEDLO COc1cc(F)cc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000449042721 458419624 /nfs/dbraw/zinc/41/96/24/458419624.db2.gz UHTUXHABEMWQNN-LJQANCHMSA-N 1 2 326.371 3.279 20 30 EGEDLO C=CC[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)nc1)c1ccccc1 ZINC000376937963 458425753 /nfs/dbraw/zinc/42/57/53/458425753.db2.gz TZOCZKIJJYWMDD-SFHVURJKSA-N 1 2 332.407 3.243 20 30 EGEDLO C=CCC1(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)CCCC1 ZINC000449646024 458427844 /nfs/dbraw/zinc/42/78/44/458427844.db2.gz MKXSROKPFRIGTG-INIZCTEOSA-N 1 2 343.471 3.059 20 30 EGEDLO COC(=O)c1csc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000450304312 458445437 /nfs/dbraw/zinc/44/54/37/458445437.db2.gz QIPXXJGUUQKFSA-UHFFFAOYSA-N 1 2 329.425 3.212 20 30 EGEDLO COC(=O)c1csc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000450304312 458445440 /nfs/dbraw/zinc/44/54/40/458445440.db2.gz QIPXXJGUUQKFSA-UHFFFAOYSA-N 1 2 329.425 3.212 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)[NH+]1CCSCC1 ZINC000452683745 458506546 /nfs/dbraw/zinc/50/65/46/458506546.db2.gz OFLAJCVVBZNXBN-CYBMUJFWSA-N 1 2 347.484 3.111 20 30 EGEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000373571145 458536357 /nfs/dbraw/zinc/53/63/57/458536357.db2.gz CEXNMXCZADFNEV-INIZCTEOSA-N 1 2 336.439 3.241 20 30 EGEDLO N#CCC1(CNC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000454892419 458578584 /nfs/dbraw/zinc/57/85/84/458578584.db2.gz UDPVOTIWNUWROG-UHFFFAOYSA-N 1 2 343.818 3.019 20 30 EGEDLO C=C(C)CCNC(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000455330685 458593645 /nfs/dbraw/zinc/59/36/45/458593645.db2.gz VMZXWZDNOWFFEM-INIZCTEOSA-N 1 2 326.444 3.485 20 30 EGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cccc(CC#N)c2)c1C ZINC000455923323 458622490 /nfs/dbraw/zinc/62/24/90/458622490.db2.gz SMXSEOJPZRIDPZ-UHFFFAOYSA-N 1 2 338.411 3.437 20 30 EGEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H](C2CC2)O1 ZINC000470918822 458663695 /nfs/dbraw/zinc/66/36/95/458663695.db2.gz KOKUDRCGXXBXQR-CXAGYDPISA-N 1 2 339.357 3.436 20 30 EGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H](C2CC2)O1 ZINC000470918822 458663701 /nfs/dbraw/zinc/66/37/01/458663701.db2.gz KOKUDRCGXXBXQR-CXAGYDPISA-N 1 2 339.357 3.436 20 30 EGEDLO COc1cc(C#N)ccc1NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000547414571 458734440 /nfs/dbraw/zinc/73/44/40/458734440.db2.gz DYYSZJKHTCGPFG-AWEZNQCLSA-N 1 2 325.372 3.049 20 30 EGEDLO N#Cc1ccccc1C[NH+]1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000547450751 458742084 /nfs/dbraw/zinc/74/20/84/458742084.db2.gz GHLAYRLWUOUUSG-UHFFFAOYSA-N 1 2 346.356 3.294 20 30 EGEDLO C[C@@H]1CN(c2ccc(Nc3cccc(F)c3C#N)c[nH+]2)C[C@@H](C)O1 ZINC000506859967 458753091 /nfs/dbraw/zinc/75/30/91/458753091.db2.gz YAUCROAQBOLIIG-CHWSQXEVSA-N 1 2 326.375 3.450 20 30 EGEDLO CCN1CCN(c2ccc(C(F)(F)F)cc2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000530374788 458757539 /nfs/dbraw/zinc/75/75/39/458757539.db2.gz KPSVOTWMETZPCG-HNNXBMFYSA-N 1 2 349.360 3.183 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1ccc(CO)o1 ZINC000512163683 458781761 /nfs/dbraw/zinc/78/17/61/458781761.db2.gz GUSCSXIDQWAGDQ-UHFFFAOYSA-N 1 2 348.830 3.442 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1ccc(CO)o1 ZINC000512163683 458781771 /nfs/dbraw/zinc/78/17/71/458781771.db2.gz GUSCSXIDQWAGDQ-UHFFFAOYSA-N 1 2 348.830 3.442 20 30 EGEDLO C=CCOc1ccc(C(=O)NCc2c[nH+]c(C)cc2C)cc1OC ZINC000456858478 458803490 /nfs/dbraw/zinc/80/34/90/458803490.db2.gz LWCOBLNPMWAJQP-UHFFFAOYSA-N 1 2 326.396 3.202 20 30 EGEDLO C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000515488013 458809431 /nfs/dbraw/zinc/80/94/31/458809431.db2.gz NIJNLVYAUKKTBK-MEBBXXQBSA-N 1 2 328.243 3.057 20 30 EGEDLO C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000515488011 458809829 /nfs/dbraw/zinc/80/98/29/458809829.db2.gz NIJNLVYAUKKTBK-BMIGLBTASA-N 1 2 328.243 3.057 20 30 EGEDLO Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)c2cccc(CC#N)c2)c1 ZINC000549688924 458882838 /nfs/dbraw/zinc/88/28/38/458882838.db2.gz SWQVWBWJAXZZCE-UHFFFAOYSA-N 1 2 331.379 3.026 20 30 EGEDLO C[NH+](C)Cc1csc(NC(=O)C[C@@H](CC#N)c2ccccc2)n1 ZINC000457319471 458920287 /nfs/dbraw/zinc/92/02/87/458920287.db2.gz WXGMKIDMUVVGLK-CQSZACIVSA-N 1 2 328.441 3.231 20 30 EGEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(OC)c(OC)c1Br ZINC000566429952 458930122 /nfs/dbraw/zinc/93/01/22/458930122.db2.gz ZWMYDPQUAZDSRX-LLVKDONJSA-N 1 2 327.222 3.248 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000566428246 458930405 /nfs/dbraw/zinc/93/04/05/458930405.db2.gz CNZFBSMFETUJSE-ZIAGYGMSSA-N 1 2 330.457 3.301 20 30 EGEDLO C=C(Cl)C[NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000495967465 459022465 /nfs/dbraw/zinc/02/24/65/459022465.db2.gz FRFBAVNSFCUNFQ-UHFFFAOYSA-N 1 2 343.880 3.278 20 30 EGEDLO COc1cc(C[NH2+]Cc2noc(-c3ccccc3C)n2)ccc1C#N ZINC000442859081 459047076 /nfs/dbraw/zinc/04/70/76/459047076.db2.gz WHVAHVQHZIPYFV-UHFFFAOYSA-N 1 2 334.379 3.215 20 30 EGEDLO Cc1cccn2cc(CC(=O)N(C)c3cc(Cl)ccc3C#N)[nH+]c12 ZINC000532444299 459089022 /nfs/dbraw/zinc/08/90/22/459089022.db2.gz WHIRRBWDHINJRX-UHFFFAOYSA-N 1 2 338.798 3.373 20 30 EGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000557610703 459090989 /nfs/dbraw/zinc/09/09/89/459090989.db2.gz GEILXLFIAOPVCN-INIZCTEOSA-N 1 2 341.459 3.212 20 30 EGEDLO N#Cc1ccc(Oc2cccc(C(=O)N3CCc4[nH]c[nH+]c4C3)c2)cc1 ZINC000590377531 459122754 /nfs/dbraw/zinc/12/27/54/459122754.db2.gz FXGXBGKNVVYAGA-UHFFFAOYSA-N 1 2 344.374 3.272 20 30 EGEDLO N#Cc1ccc(Oc2cccc(C(=O)N3CCc4[nH+]c[nH]c4C3)c2)cc1 ZINC000590377531 459122758 /nfs/dbraw/zinc/12/27/58/459122758.db2.gz FXGXBGKNVVYAGA-UHFFFAOYSA-N 1 2 344.374 3.272 20 30 EGEDLO Cc1cc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cs1 ZINC000590638843 459168751 /nfs/dbraw/zinc/16/87/51/459168751.db2.gz VNDMNWIYYWVOSF-UHFFFAOYSA-N 1 2 328.441 3.116 20 30 EGEDLO Cc1cc(N2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c(C#N)c[nH+]1 ZINC000496383852 459173704 /nfs/dbraw/zinc/17/37/04/459173704.db2.gz QAKVPXDUBXIBKP-KGLIPLIRSA-N 1 2 330.432 3.001 20 30 EGEDLO C=CCCn1cc(C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)nn1 ZINC000594934500 459182372 /nfs/dbraw/zinc/18/23/72/459182372.db2.gz HHSRIXPLRWWXNI-UHFFFAOYSA-N 1 2 342.443 3.099 20 30 EGEDLO CC(C)(C)Oc1ccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1C#N ZINC000590773325 459212200 /nfs/dbraw/zinc/21/22/00/459212200.db2.gz JGEZOPLWLZGRCC-ZDUSSCGKSA-N 1 2 338.411 3.133 20 30 EGEDLO Cn1cc(Br)c(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)n1 ZINC000590779366 459214532 /nfs/dbraw/zinc/21/45/32/459214532.db2.gz DTCGLJORCPGSAF-HNNXBMFYSA-N 1 2 345.244 3.221 20 30 EGEDLO Cc1cccn2cc(CC(=O)N[C@@](C)(C#N)CCc3ccccc3)[nH+]c12 ZINC000533368423 459226880 /nfs/dbraw/zinc/22/68/80/459226880.db2.gz VKKXMWKQHWUFAQ-OAQYLSRUSA-N 1 2 346.434 3.217 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC000578873012 459240823 /nfs/dbraw/zinc/24/08/23/459240823.db2.gz ITYPAYHBLMGWTA-NRFBVMONSA-N 1 2 331.504 3.333 20 30 EGEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000559259600 459246437 /nfs/dbraw/zinc/24/64/37/459246437.db2.gz NSQKMAACYXFFBC-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO N#C[C@H]1CC[C@@H](NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000580066823 459255763 /nfs/dbraw/zinc/25/57/63/459255763.db2.gz DSJRFQZERRVWHX-GOEBONIOSA-N 1 2 347.422 3.416 20 30 EGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000560405743 459339405 /nfs/dbraw/zinc/33/94/05/459339405.db2.gz RCFDHTOJWICLOK-IUODEOHRSA-N 1 2 339.399 3.369 20 30 EGEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cnc(N2CCCC2)nc1 ZINC000535825005 459357435 /nfs/dbraw/zinc/35/74/35/459357435.db2.gz XKXVOGBHZPJMOY-UHFFFAOYSA-N 1 2 333.439 3.137 20 30 EGEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cnc(N2CCCC2)nc1 ZINC000535825005 459357446 /nfs/dbraw/zinc/35/74/46/459357446.db2.gz XKXVOGBHZPJMOY-UHFFFAOYSA-N 1 2 333.439 3.137 20 30 EGEDLO N#CCCN1CC[NH+](Cc2cc(-c3ccccc3Cl)on2)CC1 ZINC000591376540 459363733 /nfs/dbraw/zinc/36/37/33/459363733.db2.gz JFCCTKMMEIBLQW-UHFFFAOYSA-N 1 2 330.819 3.026 20 30 EGEDLO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595613146 459368083 /nfs/dbraw/zinc/36/80/83/459368083.db2.gz ABXPQBUIJCZFKC-KRWDZBQOSA-N 1 2 340.471 3.159 20 30 EGEDLO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595613146 459368085 /nfs/dbraw/zinc/36/80/85/459368085.db2.gz ABXPQBUIJCZFKC-KRWDZBQOSA-N 1 2 340.471 3.159 20 30 EGEDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)cc1OCC ZINC000595619243 459370216 /nfs/dbraw/zinc/37/02/16/459370216.db2.gz VWDNSGIFRUDHRA-OAHLLOKOSA-N 1 2 345.443 3.048 20 30 EGEDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)cc1OCC ZINC000595619243 459370220 /nfs/dbraw/zinc/37/02/20/459370220.db2.gz VWDNSGIFRUDHRA-OAHLLOKOSA-N 1 2 345.443 3.048 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000595619495 459372637 /nfs/dbraw/zinc/37/26/37/459372637.db2.gz BZXJZGHSUBFMQF-LBPRGKRZSA-N 1 2 346.481 3.436 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000595619495 459372640 /nfs/dbraw/zinc/37/26/40/459372640.db2.gz BZXJZGHSUBFMQF-LBPRGKRZSA-N 1 2 346.481 3.436 20 30 EGEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+](CCC#N)CCC(C)C ZINC000484920642 459435423 /nfs/dbraw/zinc/43/54/23/459435423.db2.gz RPQDBZIEIHYSMG-SFHVURJKSA-N 1 2 329.488 3.304 20 30 EGEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+](CCC#N)CCC(C)C ZINC000484920642 459435429 /nfs/dbraw/zinc/43/54/29/459435429.db2.gz RPQDBZIEIHYSMG-SFHVURJKSA-N 1 2 329.488 3.304 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000541701077 459480567 /nfs/dbraw/zinc/48/05/67/459480567.db2.gz JTDZQGBVBJXKGP-UYAOXDASSA-N 1 2 344.499 3.133 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000541701077 459480570 /nfs/dbraw/zinc/48/05/70/459480570.db2.gz JTDZQGBVBJXKGP-UYAOXDASSA-N 1 2 344.499 3.133 20 30 EGEDLO Cc1cc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c([N+](=O)[O-])s1 ZINC000596053601 459502919 /nfs/dbraw/zinc/50/29/19/459502919.db2.gz OFYRJJYZEFHCRN-UHFFFAOYSA-N 1 2 342.424 3.159 20 30 EGEDLO C=CC[C@H](CO)CNC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000541878899 459505006 /nfs/dbraw/zinc/50/50/06/459505006.db2.gz LXMPBBXCJMFRBP-CVEARBPZSA-N 1 2 346.475 3.075 20 30 EGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1nc(C#N)c(Cl)s1 ZINC000596108566 459524170 /nfs/dbraw/zinc/52/41/70/459524170.db2.gz NEGGKQFWLOOLGE-UHFFFAOYSA-N 1 2 335.742 3.063 20 30 EGEDLO N#Cc1ccc(C[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)nc1 ZINC000562294727 459532559 /nfs/dbraw/zinc/53/25/59/459532559.db2.gz KTOCADHFCBUVTJ-HXUWFJFHSA-N 1 2 342.402 3.423 20 30 EGEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000526056939 459539888 /nfs/dbraw/zinc/53/98/88/459539888.db2.gz SOWXSVMLRPCZSG-HNNXBMFYSA-N 1 2 341.430 3.256 20 30 EGEDLO CCc1nc(C#N)cc(N2CCC[C@@H](c3[nH]c4ccc(C)cc4[nH+]3)C2)n1 ZINC000596190618 459554838 /nfs/dbraw/zinc/55/48/38/459554838.db2.gz UKLDFDHRONAPRZ-CQSZACIVSA-N 1 2 346.438 3.479 20 30 EGEDLO COc1ccc2c(c1)C[C@H](C)[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H]2C ZINC000542881061 459607069 /nfs/dbraw/zinc/60/70/69/459607069.db2.gz LLXNJIMJXJZUDD-MDOVXXIYSA-N 1 2 343.471 3.057 20 30 EGEDLO COc1ccc2c(c1)C[C@H](C)[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H]2C ZINC000542881061 459607073 /nfs/dbraw/zinc/60/70/73/459607073.db2.gz LLXNJIMJXJZUDD-MDOVXXIYSA-N 1 2 343.471 3.057 20 30 EGEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000491298755 459614998 /nfs/dbraw/zinc/61/49/98/459614998.db2.gz XGKZQEGRIYLMIH-SFHVURJKSA-N 1 2 334.419 3.016 20 30 EGEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000491298755 459615002 /nfs/dbraw/zinc/61/50/02/459615002.db2.gz XGKZQEGRIYLMIH-SFHVURJKSA-N 1 2 334.419 3.016 20 30 EGEDLO C#C[C@H]([NH2+]Cc1cnc(C2OCCO2)s1)c1ccc(Cl)cc1 ZINC000491351100 459619024 /nfs/dbraw/zinc/61/90/24/459619024.db2.gz ROPUIUNRFIBFMT-AWEZNQCLSA-N 1 2 334.828 3.306 20 30 EGEDLO C#CC[N@H+](Cc1cnc(C2OCCO2)s1)[C@H]1CCc2ccccc21 ZINC000491619925 459640121 /nfs/dbraw/zinc/64/01/21/459640121.db2.gz GHGTZFPBUOVPFZ-KRWDZBQOSA-N 1 2 340.448 3.311 20 30 EGEDLO C#CC[N@@H+](Cc1cnc(C2OCCO2)s1)[C@H]1CCc2ccccc21 ZINC000491619925 459640124 /nfs/dbraw/zinc/64/01/24/459640124.db2.gz GHGTZFPBUOVPFZ-KRWDZBQOSA-N 1 2 340.448 3.311 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(Cl)cc2C)n1 ZINC000491636911 459644695 /nfs/dbraw/zinc/64/46/95/459644695.db2.gz UCKBDHKOTKTKJK-UHFFFAOYSA-N 1 2 331.847 3.127 20 30 EGEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(Cl)cc2C)n1 ZINC000491636911 459644703 /nfs/dbraw/zinc/64/47/03/459644703.db2.gz UCKBDHKOTKTKJK-UHFFFAOYSA-N 1 2 331.847 3.127 20 30 EGEDLO C#CC[N@@H+](Cc1nnc(-c2ccc(OC)cc2)o1)Cc1ccccc1 ZINC000491728025 459662193 /nfs/dbraw/zinc/66/21/93/459662193.db2.gz GVJHYUXZSIPIGF-UHFFFAOYSA-N 1 2 333.391 3.381 20 30 EGEDLO C#CC[N@H+](Cc1nnc(-c2ccc(OC)cc2)o1)Cc1ccccc1 ZINC000491728025 459662196 /nfs/dbraw/zinc/66/21/96/459662196.db2.gz GVJHYUXZSIPIGF-UHFFFAOYSA-N 1 2 333.391 3.381 20 30 EGEDLO COc1cc(OC)c2ncc(C#N)c(N[C@@H](C)c3[nH+]ccn3C)c2c1 ZINC000596544151 459671074 /nfs/dbraw/zinc/67/10/74/459671074.db2.gz ZXBZWGCRPNFZSM-NSHDSACASA-N 1 2 337.383 3.030 20 30 EGEDLO CC1(C)C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@H]1c1cccnc1 ZINC000596591381 459687367 /nfs/dbraw/zinc/68/73/67/459687367.db2.gz IKHKDKWRNSKUBI-OALUTQOASA-N 1 2 346.434 3.142 20 30 EGEDLO CC1(C)C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@H]1c1cccnc1 ZINC000596591381 459687370 /nfs/dbraw/zinc/68/73/70/459687370.db2.gz IKHKDKWRNSKUBI-OALUTQOASA-N 1 2 346.434 3.142 20 30 EGEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000573576788 459701171 /nfs/dbraw/zinc/70/11/71/459701171.db2.gz PUYWTCLMOCAEGF-GOEBONIOSA-N 1 2 339.443 3.098 20 30 EGEDLO CC1=CC[C@](C)(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000596659131 459717759 /nfs/dbraw/zinc/71/77/59/459717759.db2.gz SJVKZILFCJNNMM-NRFANRHFSA-N 1 2 337.467 3.339 20 30 EGEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000563220654 459741467 /nfs/dbraw/zinc/74/14/67/459741467.db2.gz UHPGFTMAATVXEB-SNVBAGLBSA-N 1 2 328.397 3.262 20 30 EGEDLO CC(C)O[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000593054880 459757619 /nfs/dbraw/zinc/75/76/19/459757619.db2.gz HHOFDVMXNYRZOY-OAHLLOKOSA-N 1 2 347.484 3.130 20 30 EGEDLO CC(C)O[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000593054880 459757621 /nfs/dbraw/zinc/75/76/21/459757621.db2.gz HHOFDVMXNYRZOY-OAHLLOKOSA-N 1 2 347.484 3.130 20 30 EGEDLO CC(C)O[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000593055330 459758739 /nfs/dbraw/zinc/75/87/39/459758739.db2.gz JZHOXKQKXGYGTF-OAHLLOKOSA-N 1 2 335.835 3.040 20 30 EGEDLO CC(C)O[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000593055330 459758744 /nfs/dbraw/zinc/75/87/44/459758744.db2.gz JZHOXKQKXGYGTF-OAHLLOKOSA-N 1 2 335.835 3.040 20 30 EGEDLO C=CCOc1c(Br)cc(CNc2c[nH]c[nH+]2)cc1OC ZINC000584561331 459767727 /nfs/dbraw/zinc/76/77/27/459767727.db2.gz DVHMZRGHPBXNMY-UHFFFAOYSA-N 1 2 338.205 3.358 20 30 EGEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000528500497 459809034 /nfs/dbraw/zinc/80/90/34/459809034.db2.gz BSAFCUKURJPTJQ-CZUORRHYSA-N 1 2 344.846 3.408 20 30 EGEDLO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000528500497 459809037 /nfs/dbraw/zinc/80/90/37/459809037.db2.gz BSAFCUKURJPTJQ-CZUORRHYSA-N 1 2 344.846 3.408 20 30 EGEDLO N#CC1(CC(=O)N2CCC[N@H+](Cc3cscn3)CC2)CCCCC1 ZINC000597111240 459838973 /nfs/dbraw/zinc/83/89/73/459838973.db2.gz XIYONJRPSJIDFL-UHFFFAOYSA-N 1 2 346.500 3.042 20 30 EGEDLO N#CC1(CC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)CCCCC1 ZINC000597111240 459838977 /nfs/dbraw/zinc/83/89/77/459838977.db2.gz XIYONJRPSJIDFL-UHFFFAOYSA-N 1 2 346.500 3.042 20 30 EGEDLO N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cccc(C(=O)[O-])c3)CC2)c1 ZINC000593331007 459847719 /nfs/dbraw/zinc/84/77/19/459847719.db2.gz CABAOKBXIXXNKG-UHFFFAOYSA-N 1 2 349.434 3.011 20 30 EGEDLO Cc1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)cc1[N+](=O)[O-] ZINC000597182950 459865957 /nfs/dbraw/zinc/86/59/57/459865957.db2.gz FZAJJUSKTGAUBR-UHFFFAOYSA-N 1 2 342.424 3.159 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](Nc1cc(C#N)ccc1[N+](=O)[O-])c1ccccc1 ZINC000545926607 459873454 /nfs/dbraw/zinc/87/34/54/459873454.db2.gz HQAXYGFEEOLEGD-KRWDZBQOSA-N 1 2 333.351 3.401 20 30 EGEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cc3cnccc3o2)CC1 ZINC000593565918 459924014 /nfs/dbraw/zinc/92/40/14/459924014.db2.gz KSVOOFCEWIERCL-LJQANCHMSA-N 1 2 332.407 3.210 20 30 EGEDLO COc1cc(C[N@H+](C)Cc2cccc(C#N)c2)c(Br)cn1 ZINC000598586970 459954229 /nfs/dbraw/zinc/95/42/29/459954229.db2.gz MHSNEXLQCVFNNH-UHFFFAOYSA-N 1 2 346.228 3.356 20 30 EGEDLO COc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)c(Br)cn1 ZINC000598586970 459954239 /nfs/dbraw/zinc/95/42/39/459954239.db2.gz MHSNEXLQCVFNNH-UHFFFAOYSA-N 1 2 346.228 3.356 20 30 EGEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000598588482 459955357 /nfs/dbraw/zinc/95/53/57/459955357.db2.gz APMARMPQTZGSQZ-BBRMVZONSA-N 1 2 340.826 3.153 20 30 EGEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000598588482 459955362 /nfs/dbraw/zinc/95/53/62/459955362.db2.gz APMARMPQTZGSQZ-BBRMVZONSA-N 1 2 340.826 3.153 20 30 EGEDLO C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598628394 459968423 /nfs/dbraw/zinc/96/84/23/459968423.db2.gz RYSQAPVMMFNYAD-COXVUDFISA-N 1 2 336.863 3.403 20 30 EGEDLO C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598628394 459968429 /nfs/dbraw/zinc/96/84/29/459968429.db2.gz RYSQAPVMMFNYAD-COXVUDFISA-N 1 2 336.863 3.403 20 30 EGEDLO CC(C)(C)C1CCC(C#N)(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000597519922 459983614 /nfs/dbraw/zinc/98/36/14/459983614.db2.gz TVYJILIHQBOPLS-TZGCNFNXSA-N 1 2 328.460 3.060 20 30 EGEDLO Cc1cc(C)c(C#N)c(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC000598857725 460069832 /nfs/dbraw/zinc/06/98/32/460069832.db2.gz SEKOHEIQYASKDY-INIZCTEOSA-N 1 2 342.830 3.465 20 30 EGEDLO C=C[C@](C)(O)CC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000614353976 460109844 /nfs/dbraw/zinc/10/98/44/460109844.db2.gz SBRXMWLVRQBAKN-IBGZPJMESA-N 1 2 325.412 3.152 20 30 EGEDLO N#Cc1ccc2c(c1)CC[C@H]2Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000618693762 460130980 /nfs/dbraw/zinc/13/09/80/460130980.db2.gz ORSICIUWPBNPEM-MRXNPFEDSA-N 1 2 337.452 3.001 20 30 EGEDLO N#Cc1ccc2c(c1)CC[C@H]2Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000618693762 460130988 /nfs/dbraw/zinc/13/09/88/460130988.db2.gz ORSICIUWPBNPEM-MRXNPFEDSA-N 1 2 337.452 3.001 20 30 EGEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000618785982 460172733 /nfs/dbraw/zinc/17/27/33/460172733.db2.gz AXVQLVJBCSACOO-HXUWFJFHSA-N 1 2 342.402 3.220 20 30 EGEDLO CSC1CC[NH+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC1 ZINC000602921872 460186540 /nfs/dbraw/zinc/18/65/40/460186540.db2.gz BAFIQMIAQQMPSH-UHFFFAOYSA-N 1 2 326.469 3.380 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000603603463 460326957 /nfs/dbraw/zinc/32/69/57/460326957.db2.gz IOMAMAPGHUJYOJ-WIBUTAKZSA-N 1 2 343.471 3.422 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000603603463 460326961 /nfs/dbraw/zinc/32/69/61/460326961.db2.gz IOMAMAPGHUJYOJ-WIBUTAKZSA-N 1 2 343.471 3.422 20 30 EGEDLO CN(CCO)c1ccc(N[C@H]2CCCCc3cc(C#N)ccc32)[nH+]c1 ZINC000619508633 460371385 /nfs/dbraw/zinc/37/13/85/460371385.db2.gz PZGSTTRNZLCNPW-IBGZPJMESA-N 1 2 336.439 3.261 20 30 EGEDLO C=C(C)COCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000626125479 460383130 /nfs/dbraw/zinc/38/31/30/460383130.db2.gz PGTFOAIHBMSEOD-QGZVFWFLSA-N 1 2 336.863 3.013 20 30 EGEDLO C=C(C)COCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000626125479 460383135 /nfs/dbraw/zinc/38/31/35/460383135.db2.gz PGTFOAIHBMSEOD-QGZVFWFLSA-N 1 2 336.863 3.013 20 30 EGEDLO CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000615759740 460387079 /nfs/dbraw/zinc/38/70/79/460387079.db2.gz SYNWMCSBTNWBIF-RDJZCZTQSA-N 1 2 336.439 3.124 20 30 EGEDLO N#C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1c(Cl)cccc1Cl ZINC000615756696 460387496 /nfs/dbraw/zinc/38/74/96/460387496.db2.gz WXKIRPQCXAYJPY-GXFFZTMASA-N 1 2 349.221 3.133 20 30 EGEDLO C=CCCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000617616192 460928010 /nfs/dbraw/zinc/92/80/10/460928010.db2.gz MUXBNUXKIHVSCS-OAHLLOKOSA-N 1 2 337.261 3.278 20 30 EGEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)nn1 ZINC000653588879 461743526 /nfs/dbraw/zinc/74/35/26/461743526.db2.gz NLSZHQYIPXEQHB-OAHLLOKOSA-N 1 2 332.835 3.161 20 30 EGEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)nn1 ZINC000653588879 461743531 /nfs/dbraw/zinc/74/35/31/461743531.db2.gz NLSZHQYIPXEQHB-OAHLLOKOSA-N 1 2 332.835 3.161 20 30 EGEDLO C=CCCn1cc(C[NH2+][C@@H](C)c2nc3ccccc3n2C(F)F)nn1 ZINC000653632040 461770714 /nfs/dbraw/zinc/77/07/14/461770714.db2.gz CXILOXIARJWCJQ-LBPRGKRZSA-N 1 2 346.385 3.450 20 30 EGEDLO C=CCn1cc(C(=O)Nc2c3ccccc3[nH+]c(C)c2C(C)C)nn1 ZINC000648364508 462080709 /nfs/dbraw/zinc/08/07/09/462080709.db2.gz PEDPGOBWONIBQD-UHFFFAOYSA-N 1 2 335.411 3.118 20 30 EGEDLO N#Cc1sccc1N1CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000661195577 462144913 /nfs/dbraw/zinc/14/49/13/462144913.db2.gz KCKRNMBIKNDRQM-UHFFFAOYSA-N 1 2 325.437 3.015 20 30 EGEDLO C=CC[N@@H+](CC(=O)N(CC)c1nc2ccccc2s1)[C@@H](C)COC ZINC000661241976 462165802 /nfs/dbraw/zinc/16/58/02/462165802.db2.gz FYZPRYRFXLGYAS-AWEZNQCLSA-N 1 2 347.484 3.172 20 30 EGEDLO C=CC[N@H+](CC(=O)N(CC)c1nc2ccccc2s1)[C@@H](C)COC ZINC000661241976 462165807 /nfs/dbraw/zinc/16/58/07/462165807.db2.gz FYZPRYRFXLGYAS-AWEZNQCLSA-N 1 2 347.484 3.172 20 30 EGEDLO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)CC1=CCCOC1 ZINC000661657393 462353445 /nfs/dbraw/zinc/35/34/45/462353445.db2.gz RRZMZQYJKQOPHO-UHFFFAOYSA-N 1 2 337.423 3.016 20 30 EGEDLO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)CC1=CCCOC1 ZINC000661657393 462353448 /nfs/dbraw/zinc/35/34/48/462353448.db2.gz RRZMZQYJKQOPHO-UHFFFAOYSA-N 1 2 337.423 3.016 20 30 EGEDLO Cc1cc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)c(C#N)c[nH+]1 ZINC000497256612 518187467 /nfs/dbraw/zinc/18/74/67/518187467.db2.gz HKEJJOULLFFNLB-AWEZNQCLSA-N 1 2 344.459 3.391 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000189888166 527608576 /nfs/dbraw/zinc/60/85/76/527608576.db2.gz HKYSSOBWADTUQR-LJQANCHMSA-N 1 2 334.435 3.081 20 30 EGEDLO CC[C@@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1cc(C#N)n(C)c1 ZINC000191430607 529256105 /nfs/dbraw/zinc/25/61/05/529256105.db2.gz UWCIETIDMTZSFS-SFHVURJKSA-N 1 2 325.412 3.023 20 30 EGEDLO CC[C@@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1cc(C#N)n(C)c1 ZINC000191430607 529256107 /nfs/dbraw/zinc/25/61/07/529256107.db2.gz UWCIETIDMTZSFS-SFHVURJKSA-N 1 2 325.412 3.023 20 30 EGEDLO COc1ccc(F)c(N2CC[NH+](Cc3ccc(C#N)s3)CC2)c1 ZINC000361646745 536600725 /nfs/dbraw/zinc/60/07/25/536600725.db2.gz HZCMMHIDSKTOQJ-UHFFFAOYSA-N 1 2 331.416 3.090 20 30 EGEDLO O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328948505 547487772 /nfs/dbraw/zinc/48/77/72/547487772.db2.gz WFCSJAAGGLKQGP-FHLIZLRMSA-N 1 2 343.402 3.461 20 30 EGEDLO O=C(C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)N[C@H]1CCOc2ccccc21 ZINC000329154219 547490386 /nfs/dbraw/zinc/49/03/86/547490386.db2.gz BGKADMPCVCLWMD-XYJFISCASA-N 1 2 330.428 3.110 20 30 EGEDLO O=C(C[N@H+]1CCO[C@@H]2CCCC[C@@H]21)N[C@H]1CCOc2ccccc21 ZINC000329154219 547490400 /nfs/dbraw/zinc/49/04/00/547490400.db2.gz BGKADMPCVCLWMD-XYJFISCASA-N 1 2 330.428 3.110 20 30 EGEDLO CC1(C)C[C@H](NC(=O)c2cccc(C[NH+]3CCOCC3)c2)C(C)(C)O1 ZINC000329243726 547492884 /nfs/dbraw/zinc/49/28/84/547492884.db2.gz PGTCSTPPCJGYBI-KRWDZBQOSA-N 1 2 346.471 3.170 20 30 EGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NCCOC1CCCCC1)C2 ZINC000329296324 547493804 /nfs/dbraw/zinc/49/38/04/547493804.db2.gz SVOXDZIPXJAXHF-UHFFFAOYSA-N 1 2 348.491 3.165 20 30 EGEDLO CC1(C)CCCc2sc(NC(=O)N3CCn4cc[nH+]c4C3)nc21 ZINC000329536604 547500198 /nfs/dbraw/zinc/50/01/98/547500198.db2.gz UNDKWSMSBZBLRH-UHFFFAOYSA-N 1 2 331.445 3.015 20 30 EGEDLO C[C@H](NC(=O)N1CCn2c[nH+]cc2C1)C12CC3CC(CC(C3)C1)C2 ZINC000329598367 547501830 /nfs/dbraw/zinc/50/18/30/547501830.db2.gz JJASKWXXOJYCJU-IWUURBKTSA-N 1 2 328.460 3.218 20 30 EGEDLO C[C@H]([NH+]=C([O-])N1CCn2c[nH+]cc2C1)C12CC3CC(CC(C3)C1)C2 ZINC000329598367 547501836 /nfs/dbraw/zinc/50/18/36/547501836.db2.gz JJASKWXXOJYCJU-IWUURBKTSA-N 1 2 328.460 3.218 20 30 EGEDLO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000333576742 547538459 /nfs/dbraw/zinc/53/84/59/547538459.db2.gz JLCWZXSICHWENA-VBNZEHGJSA-N 1 2 349.381 3.065 20 30 EGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000374290898 547806460 /nfs/dbraw/zinc/80/64/60/547806460.db2.gz HQXAXUCVTUBJOJ-UHFFFAOYSA-N 1 2 340.358 3.186 20 30 EGEDLO COc1ccc([NH+]2CCC(NC(=O)c3cccc(CC#N)c3)CC2)cc1 ZINC000726561532 574561838 /nfs/dbraw/zinc/56/18/38/574561838.db2.gz CMAHXKHYDAEYOH-UHFFFAOYSA-N 1 2 349.434 3.160 20 30 EGEDLO CCCCCCCCCC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000729975149 574900516 /nfs/dbraw/zinc/90/05/16/574900516.db2.gz PHWNJDDPLXUVMA-UHFFFAOYSA-N 1 2 334.508 3.205 20 30 EGEDLO C=C(Br)C[N@@H+](CCCOc1ccc(F)cc1)CCOC ZINC000730893600 575033679 /nfs/dbraw/zinc/03/36/79/575033679.db2.gz YWJMKMMVXMXGDE-UHFFFAOYSA-N 1 2 346.240 3.452 20 30 EGEDLO C=C(Br)C[N@H+](CCCOc1ccc(F)cc1)CCOC ZINC000730893600 575033683 /nfs/dbraw/zinc/03/36/83/575033683.db2.gz YWJMKMMVXMXGDE-UHFFFAOYSA-N 1 2 346.240 3.452 20 30 EGEDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1nc2ccccc2s1 ZINC000734506219 575503965 /nfs/dbraw/zinc/50/39/65/575503965.db2.gz LJIZVUWMJLILAB-BZNIZROVSA-N 1 2 336.420 3.045 20 30 EGEDLO C=CC[C@H](NC(=O)NCCCCNc1cccc[nH+]1)c1ccncc1 ZINC000734678148 575540999 /nfs/dbraw/zinc/54/09/99/575540999.db2.gz DYMKFQHBCDZLIL-KRWDZBQOSA-N 1 2 339.443 3.285 20 30 EGEDLO COc1c(C)c[nH+]c(COC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c1C ZINC000736754619 576020979 /nfs/dbraw/zinc/02/09/79/576020979.db2.gz FRZPYEHSRBVWGZ-CQSZACIVSA-N 1 2 340.379 3.089 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000739829731 576508485 /nfs/dbraw/zinc/50/84/85/576508485.db2.gz JFCLNXUYYAMBMX-IBGZPJMESA-N 1 2 326.440 3.182 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000739829731 576508488 /nfs/dbraw/zinc/50/84/88/576508488.db2.gz JFCLNXUYYAMBMX-IBGZPJMESA-N 1 2 326.440 3.182 20 30 EGEDLO C[NH+](C)c1ccc(N2CCC(N=Nc3ccc(F)cn3)CC2)cc1 ZINC000741464598 576688436 /nfs/dbraw/zinc/68/84/36/576688436.db2.gz RFVPYVRCEMYITJ-UHFFFAOYSA-N 1 2 327.407 3.355 20 30 EGEDLO C#CC[N@H+](CC(=O)Nc1ccc2c(c1)CCC2)Cc1ccc(F)cc1 ZINC000744211464 576823161 /nfs/dbraw/zinc/82/31/61/576823161.db2.gz QTYBWVUEHYZFLU-UHFFFAOYSA-N 1 2 336.410 3.388 20 30 EGEDLO C#CC[N@@H+](CC(=O)Nc1ccc2c(c1)CCC2)Cc1ccc(F)cc1 ZINC000744211464 576823162 /nfs/dbraw/zinc/82/31/62/576823162.db2.gz QTYBWVUEHYZFLU-UHFFFAOYSA-N 1 2 336.410 3.388 20 30 EGEDLO C#CCC[NH+]1CCN(C(=O)CSc2ccc(C(C)(C)C)cc2)CC1 ZINC000744366287 576826561 /nfs/dbraw/zinc/82/65/61/576826561.db2.gz LEVQKJYVIDIPKB-UHFFFAOYSA-N 1 2 344.524 3.244 20 30 EGEDLO CC(N=Nc1nc2ccccc2[nH]1)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000744664859 576832613 /nfs/dbraw/zinc/83/26/13/576832613.db2.gz BQIQIJOSTCIEBU-LJQANCHMSA-N 1 2 349.438 3.424 20 30 EGEDLO CC[N@H+](C)[C@@H](C(=O)OCCOc1cccc(C#N)c1)c1ccccc1 ZINC000745100599 576841219 /nfs/dbraw/zinc/84/12/19/576841219.db2.gz LYJXNUKTRQVTGH-LJQANCHMSA-N 1 2 338.407 3.173 20 30 EGEDLO CC[N@@H+](C)[C@@H](C(=O)OCCOc1cccc(C#N)c1)c1ccccc1 ZINC000745100599 576841220 /nfs/dbraw/zinc/84/12/20/576841220.db2.gz LYJXNUKTRQVTGH-LJQANCHMSA-N 1 2 338.407 3.173 20 30 EGEDLO C=CC[N@H+](Cc1cc(-c2nn[nH]n2)cs1)Cc1ccccc1F ZINC000823909735 608622064 /nfs/dbraw/zinc/62/20/64/608622064.db2.gz PDRUWVIWHXIZBO-UHFFFAOYSA-N 1 2 329.404 3.256 20 30 EGEDLO C=CC[N@@H+](Cc1cc(-c2nn[nH]n2)cs1)Cc1ccccc1F ZINC000823909735 608622068 /nfs/dbraw/zinc/62/20/68/608622068.db2.gz PDRUWVIWHXIZBO-UHFFFAOYSA-N 1 2 329.404 3.256 20 30 EGEDLO C[NH+](C)c1ccc(N2CCC(=NNCc3ccc(C#N)cc3)CC2)cc1 ZINC000769816529 1303180093 /nfs/dbraw/zinc/18/00/93/1303180093.db2.gz UZVQWFWQRLXJSJ-UHFFFAOYSA-N 1 2 347.466 3.370 20 30 EGEDLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccc(C#N)o2)CC1 ZINC000831867932 1292929391 /nfs/dbraw/zinc/92/93/91/1292929391.db2.gz HMQVXVLYLHBANH-KRWDZBQOSA-N 1 2 341.386 3.199 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000111277951 1293103145 /nfs/dbraw/zinc/10/31/45/1293103145.db2.gz FQJUIOFFDGFXSU-FUHIMQAGSA-N 1 2 328.456 3.038 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000111277951 1293103147 /nfs/dbraw/zinc/10/31/47/1293103147.db2.gz FQJUIOFFDGFXSU-FUHIMQAGSA-N 1 2 328.456 3.038 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000156292130 1294137121 /nfs/dbraw/zinc/13/71/21/1294137121.db2.gz ACRGVZIDKPEXKW-QGZVFWFLSA-N 1 2 332.419 3.166 20 30 EGEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000156292130 1294137125 /nfs/dbraw/zinc/13/71/25/1294137125.db2.gz ACRGVZIDKPEXKW-QGZVFWFLSA-N 1 2 332.419 3.166 20 30 EGEDLO C=CCn1c2ccccc2n(C[N@H+]2CC[C@H](OCCOC)C2)c1=S ZINC000188907282 1295488055 /nfs/dbraw/zinc/48/80/55/1295488055.db2.gz OAYSIVQCZYULTG-HNNXBMFYSA-N 1 2 347.484 3.053 20 30 EGEDLO C=CCn1c2ccccc2n(C[N@@H+]2CC[C@H](OCCOC)C2)c1=S ZINC000188907282 1295488064 /nfs/dbraw/zinc/48/80/64/1295488064.db2.gz OAYSIVQCZYULTG-HNNXBMFYSA-N 1 2 347.484 3.053 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2CC[C@H](C)[C@@H]2C)c1=S ZINC000247192682 1296384448 /nfs/dbraw/zinc/38/44/48/1296384448.db2.gz VUZYTWJNDWFNBE-KBPBESRZSA-N 1 2 329.473 3.350 20 30 EGEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2CC[C@H](C)[C@@H]2C)c1=S ZINC000247192682 1296384458 /nfs/dbraw/zinc/38/44/58/1296384458.db2.gz VUZYTWJNDWFNBE-KBPBESRZSA-N 1 2 329.473 3.350 20 30 EGEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccc(N4CCOC4=O)cc3)n2c1 ZINC000255829351 1296569598 /nfs/dbraw/zinc/56/95/98/1296569598.db2.gz BVUSLZXUPXWCKV-FPLPWBNLSA-N 1 2 347.374 3.495 20 30 EGEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2scnc2C2CC2)C1 ZINC000328948480 1297259173 /nfs/dbraw/zinc/25/91/73/1297259173.db2.gz WEDATVMBLWEZSN-GFCCVEGCSA-N 1 2 345.472 3.254 20 30 EGEDLO C=CCOc1c(Br)cc(C[NH2+]CCC#N)cc1OCC ZINC000345289502 1297336826 /nfs/dbraw/zinc/33/68/26/1297336826.db2.gz DRTSNKBUQDGOAK-UHFFFAOYSA-N 1 2 339.233 3.416 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3scnc3C3CC3)CCO2)c1 ZINC000494965149 1297950400 /nfs/dbraw/zinc/95/04/00/1297950400.db2.gz VYMSQKHPMIXCHT-INIZCTEOSA-N 1 2 325.437 3.466 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3scnc3C3CC3)CCO2)c1 ZINC000494965149 1297950422 /nfs/dbraw/zinc/95/04/22/1297950422.db2.gz VYMSQKHPMIXCHT-INIZCTEOSA-N 1 2 325.437 3.466 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)C2CCCCC2)C1 ZINC000586066160 1298048450 /nfs/dbraw/zinc/04/84/50/1298048450.db2.gz QMEPXGFLJHIHSX-LJQANCHMSA-N 1 2 325.456 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)C2CCCCC2)C1 ZINC000586066160 1298048462 /nfs/dbraw/zinc/04/84/62/1298048462.db2.gz QMEPXGFLJHIHSX-LJQANCHMSA-N 1 2 325.456 3.219 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)CN1CC2(CCCC2)CC1=O ZINC000747451396 1298781842 /nfs/dbraw/zinc/78/18/42/1298781842.db2.gz FFHFFISDCOZWKZ-UHFFFAOYSA-N 1 2 328.456 3.433 20 30 EGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)CN1CC2(CCCC2)CC1=O ZINC000747451396 1298781852 /nfs/dbraw/zinc/78/18/52/1298781852.db2.gz FFHFFISDCOZWKZ-UHFFFAOYSA-N 1 2 328.456 3.433 20 30 EGEDLO C#Cc1cccc(NC(=S)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000747656453 1298818194 /nfs/dbraw/zinc/81/81/94/1298818194.db2.gz BFCIRFQWMXHKSZ-UHFFFAOYSA-N 1 2 334.448 3.153 20 30 EGEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)c2nnc(-c3cccs3)o2)cc1 ZINC000747864262 1298874257 /nfs/dbraw/zinc/87/42/57/1298874257.db2.gz MNOOXKDGDIHNJN-JTQLQIEISA-N 1 2 344.396 3.205 20 30 EGEDLO Cc1c(C(=O)/C=C/c2c[nH+]c3ccccn23)cnn1-c1ccccn1 ZINC000748441518 1299008456 /nfs/dbraw/zinc/00/84/56/1299008456.db2.gz KUCWLKRPSWFHSG-CMDGGOBGSA-N 1 2 329.363 3.120 20 30 EGEDLO COc1ccc(O)c(/C=[NH+]/CC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000750950262 1299487076 /nfs/dbraw/zinc/48/70/76/1299487076.db2.gz RQOGLYAXMDSILR-DEDYPNTBSA-N 1 2 348.443 3.467 20 30 EGEDLO CCc1[nH+]c(C=N[N-]c2[nH]c3cc(F)c(F)cc3[nH+]2)c2ccccn21 ZINC000755631259 1300369961 /nfs/dbraw/zinc/36/99/61/1300369961.db2.gz KPGBPZSSABSXPK-UHFFFAOYSA-N 1 2 340.337 3.497 20 30 EGEDLO Cc1[nH+]c[nH]c1CN=Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1 ZINC000755718490 1300384676 /nfs/dbraw/zinc/38/46/76/1300384676.db2.gz WIEMTJQUBKFXGM-UHFFFAOYSA-N 1 2 347.304 3.035 20 30 EGEDLO Cc1ccn(C[NH+]2CCC(CCc3ccccc3)CC2)c(=O)c1C#N ZINC000758187451 1300805172 /nfs/dbraw/zinc/80/51/72/1300805172.db2.gz VNNIXPBGOWKCOP-UHFFFAOYSA-N 1 2 335.451 3.331 20 30 EGEDLO Cc1ccn(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)c(=O)c1C#N ZINC000758219516 1300819371 /nfs/dbraw/zinc/81/93/71/1300819371.db2.gz YUGMCPCKJQMQCW-UHFFFAOYSA-N 1 2 339.414 3.080 20 30 EGEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cc(C)[nH+]cc2C)c1 ZINC000767941735 1302789425 /nfs/dbraw/zinc/78/94/25/1302789425.db2.gz IGQRFLDLWANORB-INIZCTEOSA-N 1 2 338.411 3.123 20 30 EGEDLO C#CCOc1ccccc1C[NH+]1CCN(Cc2ccsc2)CC1 ZINC000768207351 1302857232 /nfs/dbraw/zinc/85/72/32/1302857232.db2.gz FRXZAGZPSPWZIF-UHFFFAOYSA-N 1 2 326.465 3.078 20 30 EGEDLO Cc1cc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)ccc1C#N ZINC000774911951 1303876466 /nfs/dbraw/zinc/87/64/66/1303876466.db2.gz JHRCCCAQSMCEJI-ZWKOTPCHSA-N 1 2 342.464 3.253 20 30 EGEDLO Cc1cc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)ccc1C#N ZINC000774911951 1303876469 /nfs/dbraw/zinc/87/64/69/1303876469.db2.gz JHRCCCAQSMCEJI-ZWKOTPCHSA-N 1 2 342.464 3.253 20 30 EGEDLO C#C[C@H]([NH2+][C@H](C)c1nnn(-c2ccc(Cl)cc2)c1C)[C@H]1CCCO1 ZINC000775572279 1303987651 /nfs/dbraw/zinc/98/76/51/1303987651.db2.gz QMLAWUUJVLJMGB-OAUYIBNBSA-N 1 2 344.846 3.061 20 30 EGEDLO C#CC[N@@H+](CC)Cc1cc(Br)cc(Br)c1O ZINC000775661512 1304007691 /nfs/dbraw/zinc/00/76/91/1304007691.db2.gz LTQIJSVAXXKJTE-UHFFFAOYSA-N 1 2 347.050 3.372 20 30 EGEDLO C#CC[N@H+](CC)Cc1cc(Br)cc(Br)c1O ZINC000775661512 1304007697 /nfs/dbraw/zinc/00/76/97/1304007697.db2.gz LTQIJSVAXXKJTE-UHFFFAOYSA-N 1 2 347.050 3.372 20 30 EGEDLO C#C[C@H]([NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1)[C@@H]1CCCO1 ZINC000775791531 1304038158 /nfs/dbraw/zinc/03/81/58/1304038158.db2.gz VWTQHYYSKUAHTF-UFYCRDLUSA-N 1 2 334.419 3.137 20 30 EGEDLO C[C@@H](COc1cccc(C#N)c1)OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000776087770 1304094007 /nfs/dbraw/zinc/09/40/07/1304094007.db2.gz ANERBHSSLYPMEU-HNNXBMFYSA-N 1 2 347.374 3.368 20 30 EGEDLO N#Cc1ccc(OC(F)F)c(NC(=O)c2cccc3[nH+]ccn32)c1 ZINC000776890025 1304216831 /nfs/dbraw/zinc/21/68/31/1304216831.db2.gz ORGFWUXJQKZCOD-UHFFFAOYSA-N 1 2 328.278 3.060 20 30 EGEDLO N#Cc1ccccc1OCCO[NH+]=C(N)Cc1ccccc1Cl ZINC000782318677 1304953314 /nfs/dbraw/zinc/95/33/14/1304953314.db2.gz CNKVGOYOWXXVTE-UHFFFAOYSA-N 1 2 329.787 3.332 20 30 EGEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cc(Br)ncc1F ZINC000783299302 1305078921 /nfs/dbraw/zinc/07/89/21/1305078921.db2.gz ASJOFGVLOOSKNV-SECBINFHSA-N 1 2 335.180 3.101 20 30 EGEDLO Cc1cc(COC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)ccc1C#N ZINC000783725808 1305133343 /nfs/dbraw/zinc/13/33/43/1305133343.db2.gz OUVWYQFTKXDUSU-MRXNPFEDSA-N 1 2 334.419 3.357 20 30 EGEDLO Cc1cc(COC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)ccc1C#N ZINC000783725808 1305133344 /nfs/dbraw/zinc/13/33/44/1305133344.db2.gz OUVWYQFTKXDUSU-MRXNPFEDSA-N 1 2 334.419 3.357 20 30 EGEDLO C#CCOCC[NH2+][C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000784079002 1305187163 /nfs/dbraw/zinc/18/71/63/1305187163.db2.gz GYHBJDPFFFKGBN-SFHVURJKSA-N 1 2 333.391 3.065 20 30 EGEDLO Cc1c(Cl)cnc(N2CCC([N@H+](C)CC(F)F)CC2)c1C#N ZINC000784163620 1305200399 /nfs/dbraw/zinc/20/03/99/1305200399.db2.gz RGEUALSYUJZVJV-UHFFFAOYSA-N 1 2 328.794 3.081 20 30 EGEDLO Cc1c(Cl)cnc(N2CCC([N@@H+](C)CC(F)F)CC2)c1C#N ZINC000784163620 1305200402 /nfs/dbraw/zinc/20/04/02/1305200402.db2.gz RGEUALSYUJZVJV-UHFFFAOYSA-N 1 2 328.794 3.081 20 30 EGEDLO C#C[C@H]([NH2+]Cc1nc(-c2cccc(OC)c2)cs1)[C@@H]1CCCO1 ZINC000893675927 1306023571 /nfs/dbraw/zinc/02/35/71/1306023571.db2.gz HTQZZKRMXCBCEV-RDJZCZTQSA-N 1 2 328.437 3.089 20 30 EGEDLO O=[N+]([O-])c1c(F)cccc1N=NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000790308613 1306296115 /nfs/dbraw/zinc/29/61/15/1306296115.db2.gz JHFATNLPGOFIEU-UHFFFAOYSA-N 1 2 325.303 3.366 20 30 EGEDLO C=CCc1cc(C[NH2+]Cc2cn(C(C)(C)C)nn2)cc(OC)c1OC ZINC000790960549 1308897133 /nfs/dbraw/zinc/89/71/33/1308897133.db2.gz VUFWOALBZIJBOA-UHFFFAOYSA-N 1 2 344.459 3.069 20 30 EGEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000792407893 1309169991 /nfs/dbraw/zinc/16/99/91/1309169991.db2.gz ZJMBSNJQRLWONK-UHFFFAOYSA-N 1 2 345.487 3.140 20 30 EGEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000792407893 1309169993 /nfs/dbraw/zinc/16/99/93/1309169993.db2.gz ZJMBSNJQRLWONK-UHFFFAOYSA-N 1 2 345.487 3.140 20 30 EGEDLO CCN(CC)c1ccnc(N=NC(C)C[NH+]2Cc3ccccc3C2)n1 ZINC000792635651 1309201107 /nfs/dbraw/zinc/20/11/07/1309201107.db2.gz UVSRMQBHSFGTHU-UHFFFAOYSA-N 1 2 338.459 3.126 20 30 EGEDLO N#Cc1cc([N+](=O)[O-])c(N2CCC(Nc3cccc[nH+]3)CC2)cc1F ZINC000895346348 1309291542 /nfs/dbraw/zinc/29/15/42/1309291542.db2.gz IDOALZSVKYENFG-UHFFFAOYSA-N 1 2 341.346 3.081 20 30 EGEDLO Cn1c[nH+]cc1CCOC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000793256793 1309333419 /nfs/dbraw/zinc/33/34/19/1309333419.db2.gz CQQVPJJTOLFZEP-UHFFFAOYSA-N 1 2 347.374 3.484 20 30 EGEDLO C[C@@H]1C[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)Cc2ccccc21 ZINC000793482002 1309382592 /nfs/dbraw/zinc/38/25/92/1309382592.db2.gz DWKHXMJKBYKOJX-OAHLLOKOSA-N 1 2 333.435 3.176 20 30 EGEDLO C[C@@H]1C[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)Cc2ccccc21 ZINC000793482002 1309382603 /nfs/dbraw/zinc/38/26/03/1309382603.db2.gz DWKHXMJKBYKOJX-OAHLLOKOSA-N 1 2 333.435 3.176 20 30 EGEDLO C[C@@H]1C[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)[C@H]1c1ccccc1 ZINC000793506627 1309386877 /nfs/dbraw/zinc/38/68/77/1309386877.db2.gz XAJIJTABZOQYDN-FOIQADDNSA-N 1 2 333.435 3.249 20 30 EGEDLO C[C@@H]1C[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)[C@H]1c1ccccc1 ZINC000793506627 1309386885 /nfs/dbraw/zinc/38/68/85/1309386885.db2.gz XAJIJTABZOQYDN-FOIQADDNSA-N 1 2 333.435 3.249 20 30 EGEDLO C=CCC1(O)CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000895828765 1309542306 /nfs/dbraw/zinc/54/23/06/1309542306.db2.gz YCFLGCHLFIGCCM-UHFFFAOYSA-N 1 2 344.224 3.197 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccccc1)CN1C(=O)CC2(CCCC2)C1=O ZINC000794650887 1309563781 /nfs/dbraw/zinc/56/37/81/1309563781.db2.gz OQFOBIDMJYOAFA-UHFFFAOYSA-N 1 2 326.440 3.342 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccccc1)CN1C(=O)CC2(CCCC2)C1=O ZINC000794650887 1309563789 /nfs/dbraw/zinc/56/37/89/1309563789.db2.gz OQFOBIDMJYOAFA-UHFFFAOYSA-N 1 2 326.440 3.342 20 30 EGEDLO Cc1cc(C)c2c(c1)C(=O)/C(=C\c1ncc(C[NH+](C)C)s1)CO2 ZINC000794702001 1309577678 /nfs/dbraw/zinc/57/76/78/1309577678.db2.gz YIHJYAOKUSSHFO-QPEQYQDCSA-N 1 2 328.437 3.480 20 30 EGEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2ccnn2-c2ccccc2)s1 ZINC000794712521 1309580437 /nfs/dbraw/zinc/58/04/37/1309580437.db2.gz JNRBCLYBXOEGHC-HJWRWDBZSA-N 1 2 338.436 3.287 20 30 EGEDLO COc1cc2c(cc1OC)C(=O)/C(=C\c1ncc(C[NH+](C)C)s1)C2 ZINC000794715581 1309581499 /nfs/dbraw/zinc/58/14/99/1309581499.db2.gz XOAJGIXNPOVKHS-GHXNOFRVSA-N 1 2 344.436 3.044 20 30 EGEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3ccccc3-n3ccnn3)n21 ZINC000794731471 1309586542 /nfs/dbraw/zinc/58/65/42/1309586542.db2.gz JUMCSUFLWYHZLA-KTKRTIGZSA-N 1 2 329.363 3.120 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(F)c3ncccc3c2)C1 ZINC000956961071 1317101337 /nfs/dbraw/zinc/10/13/37/1317101337.db2.gz VLNWSGGDVQOZCD-UHFFFAOYSA-N 1 2 327.403 3.096 20 30 EGEDLO CC[C@]1(C(C)C)C[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000956980056 1317117156 /nfs/dbraw/zinc/11/71/56/1317117156.db2.gz VBAOCQGOANYICR-TZIWHRDSSA-N 1 2 339.483 3.275 20 30 EGEDLO Cc1ccc(C(=O)/C=C/C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000900340996 1317277795 /nfs/dbraw/zinc/27/77/95/1317277795.db2.gz YFAGYCFXDVNCDR-BBVFFXRHSA-N 1 2 339.439 3.162 20 30 EGEDLO COc1c(C)c[nH+]c(CNC(=O)/C=C\C(=O)c2ccc(C)cc2)c1C ZINC000900447669 1317290374 /nfs/dbraw/zinc/29/03/74/1317290374.db2.gz YUWBLPSBYVLORY-KTKRTIGZSA-N 1 2 338.407 3.071 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc3c(s2)CC[C@H](C)C3)C1 ZINC000957375680 1317322954 /nfs/dbraw/zinc/32/29/54/1317322954.db2.gz GJAPYWDQULABFL-AWEZNQCLSA-N 1 2 330.497 3.043 20 30 EGEDLO CCOC(=O)CCOc1ccc(C(=O)/C=C/c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000901469208 1317432809 /nfs/dbraw/zinc/43/28/09/1317432809.db2.gz SJWJVDFTTFJLAS-MDZDMXLPSA-N 1 2 342.395 3.255 20 30 EGEDLO CC(C)n1cncc1/C=C1\COC/C(=C\c2c[nH+]cn2C(C)C)C1=O ZINC000901482526 1317434954 /nfs/dbraw/zinc/43/49/54/1317434954.db2.gz XZKVDEIQCQWOJX-IAGONARPSA-N 1 2 340.427 3.308 20 30 EGEDLO Cc1cccn2c(/C=C/C(=O)c3cccc(-n4ccnn4)c3)c[nH+]c12 ZINC000806576146 1317505340 /nfs/dbraw/zinc/50/53/40/1317505340.db2.gz VRGDTAQDOKKKMY-BQYQJAHWSA-N 1 2 329.363 3.120 20 30 EGEDLO COCCOCc1ccc(C=NNc2cc[nH+]c3ccccc23)cc1 ZINC000807970088 1317605353 /nfs/dbraw/zinc/60/53/53/1317605353.db2.gz VUAUPQKREJCEMF-UHFFFAOYSA-N 1 2 335.407 3.266 20 30 EGEDLO COc1ccc(C(N)=[NH+]OCCCCC2(C#N)CCC2)cc1OC ZINC000902697663 1317606247 /nfs/dbraw/zinc/60/62/47/1317606247.db2.gz GEYCTOQWFHPZLH-UHFFFAOYSA-N 1 2 331.416 3.415 20 30 EGEDLO C=C[C@H](C(=O)N1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000957743874 1317608185 /nfs/dbraw/zinc/60/81/85/1317608185.db2.gz BDMSKEBAYIALAW-HNNXBMFYSA-N 1 2 326.362 3.053 20 30 EGEDLO C[C@H]1CCCC[C@H]1CC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000957872944 1317672155 /nfs/dbraw/zinc/67/21/55/1317672155.db2.gz QHGBEWFRNMKXMX-PXNSSMCTSA-N 1 2 339.483 3.419 20 30 EGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(O)Cc1cc(Cl)cc(Cl)c1 ZINC000904181266 1317806168 /nfs/dbraw/zinc/80/61/68/1317806168.db2.gz RZSAPSDMMONKAN-CHWSQXEVSA-N 1 2 340.210 3.248 20 30 EGEDLO Cc1cc(C)c(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c(C)[nH+]1 ZINC000905470576 1317962144 /nfs/dbraw/zinc/96/21/44/1317962144.db2.gz CHVSBNVGHCMAIR-LJQANCHMSA-N 1 2 348.450 3.030 20 30 EGEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2ccccc2F)cc1 ZINC000905490643 1317962230 /nfs/dbraw/zinc/96/22/30/1317962230.db2.gz JZLJHVVHJOEIIM-MRXNPFEDSA-N 1 2 343.402 3.236 20 30 EGEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2ccccc2F)cc1 ZINC000905490643 1317962238 /nfs/dbraw/zinc/96/22/38/1317962238.db2.gz JZLJHVVHJOEIIM-MRXNPFEDSA-N 1 2 343.402 3.236 20 30 EGEDLO Clc1nc(N2CCCC2)sc1C=[NH+]NC[C@H]1CCSC1 ZINC000811657054 1318220040 /nfs/dbraw/zinc/22/00/40/1318220040.db2.gz CSHOXTFUHWNKIG-SNVBAGLBSA-N 1 2 330.910 3.073 20 30 EGEDLO N#CC1(CCCCOC(=O)c2ccc(N)c(-n3cc[nH+]c3)c2)CCC1 ZINC000909366542 1318465446 /nfs/dbraw/zinc/46/54/46/1318465446.db2.gz UUBHHAPCJXRORX-UHFFFAOYSA-N 1 2 338.411 3.475 20 30 EGEDLO CC(C)=CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000960383518 1318512083 /nfs/dbraw/zinc/51/20/83/1318512083.db2.gz JXFVVFKBLOKKDM-GOSISDBHSA-N 1 2 329.419 3.086 20 30 EGEDLO CC(C)=CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000960383518 1318512090 /nfs/dbraw/zinc/51/20/90/1318512090.db2.gz JXFVVFKBLOKKDM-GOSISDBHSA-N 1 2 329.419 3.086 20 30 EGEDLO Cc1nc(NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)ccc1C#N ZINC000813595046 1318600155 /nfs/dbraw/zinc/60/01/55/1318600155.db2.gz QVQYLMQHAHQQJQ-UHFFFAOYSA-N 1 2 335.455 3.409 20 30 EGEDLO CCc1ccc(C#CC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000814620402 1318787001 /nfs/dbraw/zinc/78/70/01/1318787001.db2.gz PGVOQCGWFJUBEI-UHFFFAOYSA-N 1 2 348.446 3.071 20 30 EGEDLO CC(=[NH+]Nc1cccc(S(C)(=O)=O)c1)c1ccc(Cl)c(N)c1 ZINC000814896250 1318842652 /nfs/dbraw/zinc/84/26/52/1318842652.db2.gz PTYBSVZSKLIVDP-UHFFFAOYSA-N 1 2 337.832 3.162 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCN1C(=O)CC1(C)CC1 ZINC000960748176 1318852999 /nfs/dbraw/zinc/85/29/99/1318852999.db2.gz LYDKJRGSRJELCL-GOSISDBHSA-N 1 2 343.446 3.310 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCN1C(=O)CC1(C)CC1 ZINC000960748176 1318853007 /nfs/dbraw/zinc/85/30/07/1318853007.db2.gz LYDKJRGSRJELCL-GOSISDBHSA-N 1 2 343.446 3.310 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1noc2c1CCCC2 ZINC000960793081 1318901656 /nfs/dbraw/zinc/90/16/56/1318901656.db2.gz XVSMSLXWIPNVAE-OAHLLOKOSA-N 1 2 345.487 3.188 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1noc2c1CCCC2 ZINC000960793081 1318901665 /nfs/dbraw/zinc/90/16/65/1318901665.db2.gz XVSMSLXWIPNVAE-OAHLLOKOSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1nc(C)oc1C ZINC000960825340 1318950532 /nfs/dbraw/zinc/95/05/32/1318950532.db2.gz HGOCIGRERMWNJO-QFBILLFUSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nc(C)oc1C ZINC000960825340 1318950535 /nfs/dbraw/zinc/95/05/35/1318950535.db2.gz HGOCIGRERMWNJO-QFBILLFUSA-N 1 2 333.476 3.317 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccn(C(C)C)n1 ZINC000960827324 1318952693 /nfs/dbraw/zinc/95/26/93/1318952693.db2.gz PKQDERVTAQICCT-ICSRJNTNSA-N 1 2 346.519 3.489 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccn(C(C)C)n1 ZINC000960827324 1318952704 /nfs/dbraw/zinc/95/27/04/1318952704.db2.gz PKQDERVTAQICCT-ICSRJNTNSA-N 1 2 346.519 3.489 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@@H+](C)[C@H](C)c2ncc(C)o2)C1 ZINC000960846488 1318985053 /nfs/dbraw/zinc/98/50/53/1318985053.db2.gz LKFSUCMYHYIKTD-HZPDHXFCSA-N 1 2 331.460 3.323 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@H+](C)[C@H](C)c2ncc(C)o2)C1 ZINC000960846488 1318985070 /nfs/dbraw/zinc/98/50/70/1318985070.db2.gz LKFSUCMYHYIKTD-HZPDHXFCSA-N 1 2 331.460 3.323 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC000960848246 1318986796 /nfs/dbraw/zinc/98/67/96/1318986796.db2.gz TZSOCXTUIMTZSN-MRXNPFEDSA-N 1 2 343.471 3.331 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC000960848246 1318986802 /nfs/dbraw/zinc/98/68/02/1318986802.db2.gz TZSOCXTUIMTZSN-MRXNPFEDSA-N 1 2 343.471 3.331 20 30 EGEDLO C[C@@H]1CCCC[C@@H]1NC(=S)NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000917025604 1319740304 /nfs/dbraw/zinc/74/03/04/1319740304.db2.gz AUUXSJLMKBRJPI-PBHICJAKSA-N 1 2 341.484 3.249 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@H]1COC2(CCCCC2)O1 ZINC000820681341 1319933087 /nfs/dbraw/zinc/93/30/87/1319933087.db2.gz IJHFLTRWKSSQFN-INIZCTEOSA-N 1 2 330.428 3.362 20 30 EGEDLO C#CC[C@H]([NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1)C(=O)OC ZINC000839167118 1320883389 /nfs/dbraw/zinc/88/33/89/1320883389.db2.gz CCNNQKOQUFBDGU-KBMXLJTQSA-N 1 2 339.357 3.496 20 30 EGEDLO C=CCN1CCN(C[N@@H+](C)Cc2ccccc2C(F)(F)F)C1=O ZINC000839959395 1321003231 /nfs/dbraw/zinc/00/32/31/1321003231.db2.gz MBBWAZPZSUDUPN-UHFFFAOYSA-N 1 2 327.350 3.018 20 30 EGEDLO C=CCN1CCN(C[N@H+](C)Cc2ccccc2C(F)(F)F)C1=O ZINC000839959395 1321003234 /nfs/dbraw/zinc/00/32/34/1321003234.db2.gz MBBWAZPZSUDUPN-UHFFFAOYSA-N 1 2 327.350 3.018 20 30 EGEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)C2(CCC2)[C@H]1c1cccnc1 ZINC000839961375 1321004101 /nfs/dbraw/zinc/00/41/01/1321004101.db2.gz UPWINHRGFWWITH-LJQANCHMSA-N 1 2 346.434 3.096 20 30 EGEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)C2(CCC2)[C@H]1c1cccnc1 ZINC000839961375 1321004106 /nfs/dbraw/zinc/00/41/06/1321004106.db2.gz UPWINHRGFWWITH-LJQANCHMSA-N 1 2 346.434 3.096 20 30 EGEDLO C[C@@H](CC(=O)OCC#Cc1ccc(C(F)(F)F)cc1)n1cc[nH+]c1 ZINC000845281452 1321692700 /nfs/dbraw/zinc/69/27/00/1321692700.db2.gz HTCOOSIMLFSQRQ-ZDUSSCGKSA-N 1 2 336.313 3.448 20 30 EGEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc3cc(Cl)ccc3nc2Cl)C1 ZINC000847009540 1321833236 /nfs/dbraw/zinc/83/32/36/1321833236.db2.gz KBFWDSAPBZSHEU-INIZCTEOSA-N 1 2 336.222 3.392 20 30 EGEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc3cc(Cl)ccc3nc2Cl)C1 ZINC000847009540 1321833240 /nfs/dbraw/zinc/83/32/40/1321833240.db2.gz KBFWDSAPBZSHEU-INIZCTEOSA-N 1 2 336.222 3.392 20 30 EGEDLO Cc1csc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1C#N ZINC000847189080 1321849915 /nfs/dbraw/zinc/84/99/15/1321849915.db2.gz YMPCZDZPGABKOZ-CYBMUJFWSA-N 1 2 331.445 3.361 20 30 EGEDLO COc1cc([N+](=O)[O-])ccc1C(=O)/C=C/c1ncc(C[NH+](C)C)s1 ZINC000849252570 1322102366 /nfs/dbraw/zinc/10/23/66/1322102366.db2.gz XCERIGYYCFOEJN-VOTSOKGWSA-N 1 2 347.396 3.018 20 30 EGEDLO N#Cc1ccccc1/C=C\C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921151909 1322265475 /nfs/dbraw/zinc/26/54/75/1322265475.db2.gz CHJXCXLTFMXBPM-YFHOEESVSA-N 1 2 328.375 3.074 20 30 EGEDLO Cc1nc(NCc2cccc(C(=O)N[C@@H](C#N)C3CCCC3)c2)cc[nH+]1 ZINC000921544920 1322347052 /nfs/dbraw/zinc/34/70/52/1322347052.db2.gz CKIVXJXDZQAICY-SFHVURJKSA-N 1 2 349.438 3.209 20 30 EGEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000852319693 1323178905 /nfs/dbraw/zinc/17/89/05/1323178905.db2.gz QWICXJOOAJNJOS-SMEDBKPVSA-N 1 2 337.467 3.493 20 30 EGEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000852319693 1323178910 /nfs/dbraw/zinc/17/89/10/1323178910.db2.gz QWICXJOOAJNJOS-SMEDBKPVSA-N 1 2 337.467 3.493 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1O ZINC001024337879 1323325243 /nfs/dbraw/zinc/32/52/43/1323325243.db2.gz UAVALUFVRRYZBV-GOSISDBHSA-N 1 2 349.434 3.048 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1O ZINC001024337879 1323325252 /nfs/dbraw/zinc/32/52/52/1323325252.db2.gz UAVALUFVRRYZBV-GOSISDBHSA-N 1 2 349.434 3.048 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001024597833 1323528428 /nfs/dbraw/zinc/52/84/28/1323528428.db2.gz YDGCKVRERZKINV-ZIAGYGMSSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001024597833 1323528433 /nfs/dbraw/zinc/52/84/33/1323528433.db2.gz YDGCKVRERZKINV-ZIAGYGMSSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001024620415 1323549245 /nfs/dbraw/zinc/54/92/45/1323549245.db2.gz UHKUVWPWPHJCKP-NVXWUHKLSA-N 1 2 336.838 3.189 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001024620415 1323549256 /nfs/dbraw/zinc/54/92/56/1323549256.db2.gz UHKUVWPWPHJCKP-NVXWUHKLSA-N 1 2 336.838 3.189 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2nccs2)CC1 ZINC001024633827 1323560897 /nfs/dbraw/zinc/56/08/97/1323560897.db2.gz NQVBEIVBHHURNI-INIZCTEOSA-N 1 2 333.501 3.360 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2nccs2)CC1 ZINC001024633827 1323560899 /nfs/dbraw/zinc/56/08/99/1323560899.db2.gz NQVBEIVBHHURNI-INIZCTEOSA-N 1 2 333.501 3.360 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCCC[C@H]1C[NH2+]Cc1nc(C(C)(C)C)no1 ZINC001025041287 1323845241 /nfs/dbraw/zinc/84/52/41/1323845241.db2.gz YQINPJDRHDWCNH-AWEZNQCLSA-N 1 2 348.491 3.050 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1C[C@@H](OCC)[C@]12CCCO2 ZINC000853479372 1325100081 /nfs/dbraw/zinc/10/00/81/1325100081.db2.gz ZGYORHVDSSRGTH-LMMKCTJWSA-N 1 2 330.428 3.012 20 30 EGEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1CC[C@H](C2CCCCC2)C1=O ZINC000853489954 1325104410 /nfs/dbraw/zinc/10/44/10/1325104410.db2.gz YAVREXISGVKKSH-LJQANCHMSA-N 1 2 325.456 3.376 20 30 EGEDLO C[N@H+](Cc1cccc(C#N)c1)CN1CC[C@H](C2CCCCC2)C1=O ZINC000853489954 1325104415 /nfs/dbraw/zinc/10/44/15/1325104415.db2.gz YAVREXISGVKKSH-LJQANCHMSA-N 1 2 325.456 3.376 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC001027293801 1325427435 /nfs/dbraw/zinc/42/74/35/1325427435.db2.gz JXDLKXDNBMUEDE-LSDHHAIUSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC001027293801 1325427439 /nfs/dbraw/zinc/42/74/39/1325427439.db2.gz JXDLKXDNBMUEDE-LSDHHAIUSA-N 1 2 341.293 3.174 20 30 EGEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1cccs1 ZINC000964834088 1327719964 /nfs/dbraw/zinc/71/99/64/1327719964.db2.gz GFKHDEPPROYAPU-SWLSCSKDSA-N 1 2 345.493 3.322 20 30 EGEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1cccs1 ZINC000964834088 1327719969 /nfs/dbraw/zinc/71/99/69/1327719969.db2.gz GFKHDEPPROYAPU-SWLSCSKDSA-N 1 2 345.493 3.322 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)C2(F)CCCC2)C1 ZINC001027469935 1327724810 /nfs/dbraw/zinc/72/48/10/1327724810.db2.gz KUMYVWWQTSWINA-ZDUSSCGKSA-N 1 2 347.272 3.100 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)C2(F)CCCC2)C1 ZINC001027469935 1327724819 /nfs/dbraw/zinc/72/48/19/1327724819.db2.gz KUMYVWWQTSWINA-ZDUSSCGKSA-N 1 2 347.272 3.100 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001027521442 1327793258 /nfs/dbraw/zinc/79/32/58/1327793258.db2.gz CVSLQJWCDWJWHN-MRXNPFEDSA-N 1 2 331.460 3.187 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001027521442 1327793262 /nfs/dbraw/zinc/79/32/62/1327793262.db2.gz CVSLQJWCDWJWHN-MRXNPFEDSA-N 1 2 331.460 3.187 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@H+](C)Cc3nc(C)c(C)o3)C2)CC1 ZINC001027559143 1327869016 /nfs/dbraw/zinc/86/90/16/1327869016.db2.gz OQXKLZMWSFIYRS-SFHVURJKSA-N 1 2 345.487 3.461 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@@H+](C)Cc3nc(C)c(C)o3)C2)CC1 ZINC001027559143 1327869029 /nfs/dbraw/zinc/86/90/29/1327869029.db2.gz OQXKLZMWSFIYRS-SFHVURJKSA-N 1 2 345.487 3.461 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]([N@@H+](C)Cc2ncc(CC)o2)C1 ZINC001027560076 1327875329 /nfs/dbraw/zinc/87/53/29/1327875329.db2.gz PJJIGXYEYLBPEU-HNAYVOBHSA-N 1 2 333.476 3.262 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]([N@H+](C)Cc2ncc(CC)o2)C1 ZINC001027560076 1327875340 /nfs/dbraw/zinc/87/53/40/1327875340.db2.gz PJJIGXYEYLBPEU-HNAYVOBHSA-N 1 2 333.476 3.262 20 30 EGEDLO CC1(C)C[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl ZINC001027830424 1328286569 /nfs/dbraw/zinc/28/65/69/1328286569.db2.gz BKAIHPBKOWKZGJ-IRXDYDNUSA-N 1 2 344.886 3.318 20 30 EGEDLO CC1(C)C[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1Cl ZINC001027830424 1328286577 /nfs/dbraw/zinc/28/65/77/1328286577.db2.gz BKAIHPBKOWKZGJ-IRXDYDNUSA-N 1 2 344.886 3.318 20 30 EGEDLO CC1(C)CC(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cc(F)ccc2C#N)C1 ZINC001027862764 1328324286 /nfs/dbraw/zinc/32/42/86/1328324286.db2.gz VZRXEOXWERDFMX-GOSISDBHSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC(C(=O)NC[C@H]2CCC[N@H+]2Cc2cc(F)ccc2C#N)C1 ZINC001027862764 1328324300 /nfs/dbraw/zinc/32/43/00/1328324300.db2.gz VZRXEOXWERDFMX-GOSISDBHSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccnc(CCC)c2)C1 ZINC000966876702 1328449144 /nfs/dbraw/zinc/44/91/44/1328449144.db2.gz YYZPHFYZRUZVTN-DYVFJYSZSA-N 1 2 335.879 3.227 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccnc(CCC)c2)C1 ZINC000966876702 1328449148 /nfs/dbraw/zinc/44/91/48/1328449148.db2.gz YYZPHFYZRUZVTN-DYVFJYSZSA-N 1 2 335.879 3.227 20 30 EGEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CC(=C)Cl)CC[C@@H]2C)cc1 ZINC000966973324 1328506497 /nfs/dbraw/zinc/50/64/97/1328506497.db2.gz DWQXZKZJWUWYMD-KBXCAEBGSA-N 1 2 348.874 3.444 20 30 EGEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+](CC(=C)Cl)CC[C@@H]2C)cc1 ZINC000966973324 1328506503 /nfs/dbraw/zinc/50/65/03/1328506503.db2.gz DWQXZKZJWUWYMD-KBXCAEBGSA-N 1 2 348.874 3.444 20 30 EGEDLO N#Cc1cccc(Br)c1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000865505669 1329706549 /nfs/dbraw/zinc/70/65/49/1329706549.db2.gz HMOWDRGKKJLBDA-ZDUSSCGKSA-N 1 2 331.217 3.359 20 30 EGEDLO N#Cc1cccc(Br)c1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000865505667 1329706524 /nfs/dbraw/zinc/70/65/24/1329706524.db2.gz HMOWDRGKKJLBDA-CYBMUJFWSA-N 1 2 331.217 3.359 20 30 EGEDLO CCO[C@H]1CC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000932973869 1329852387 /nfs/dbraw/zinc/85/23/87/1329852387.db2.gz MEUHPRTVQSCETK-CABCVRRESA-N 1 2 347.484 3.130 20 30 EGEDLO CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000932973869 1329852389 /nfs/dbraw/zinc/85/23/89/1329852389.db2.gz MEUHPRTVQSCETK-CABCVRRESA-N 1 2 347.484 3.130 20 30 EGEDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000867628025 1330211788 /nfs/dbraw/zinc/21/17/88/1330211788.db2.gz OCPNFFJRCCFELZ-UHFFFAOYSA-N 1 2 329.425 3.090 20 30 EGEDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccccc1CC#N ZINC000867628126 1330211804 /nfs/dbraw/zinc/21/18/04/1330211804.db2.gz PVSXZVAICHZRHI-UHFFFAOYSA-N 1 2 329.425 3.143 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC2(C)C)C(C)(C)C1 ZINC000940663954 1331148358 /nfs/dbraw/zinc/14/83/58/1331148358.db2.gz FXTWEIIFPSASRS-OLZOCXBDSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC2(C)C)C(C)(C)C1 ZINC000940663954 1331148359 /nfs/dbraw/zinc/14/83/59/1331148359.db2.gz FXTWEIIFPSASRS-OLZOCXBDSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3coc(C4CC4)n3)C[C@@H]2C)C1 ZINC000942608712 1332004317 /nfs/dbraw/zinc/00/43/17/1332004317.db2.gz YZIDJUYCSDDMPG-YOEHRIQHSA-N 1 2 343.471 3.235 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3coc(C4CC4)n3)C[C@@H]2C)C1 ZINC000942608712 1332004319 /nfs/dbraw/zinc/00/43/19/1332004319.db2.gz YZIDJUYCSDDMPG-YOEHRIQHSA-N 1 2 343.471 3.235 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)C2CC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC000946958072 1332943618 /nfs/dbraw/zinc/94/36/18/1332943618.db2.gz VOXYOPRCWKGNBW-WMLDXEAASA-N 1 2 330.859 3.071 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)C2CC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC000946958072 1332943622 /nfs/dbraw/zinc/94/36/22/1332943622.db2.gz VOXYOPRCWKGNBW-WMLDXEAASA-N 1 2 330.859 3.071 20 30 EGEDLO CC(C)C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@H](C)C1 ZINC000947071580 1333002511 /nfs/dbraw/zinc/00/25/11/1333002511.db2.gz WMVAQEPMSALRHC-NVXWUHKLSA-N 1 2 332.875 3.317 20 30 EGEDLO CC(C)C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@H](C)C1 ZINC000947071580 1333002514 /nfs/dbraw/zinc/00/25/14/1333002514.db2.gz WMVAQEPMSALRHC-NVXWUHKLSA-N 1 2 332.875 3.317 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)CC2CCC2)C[C@H]1C ZINC000947162904 1333030558 /nfs/dbraw/zinc/03/05/58/1333030558.db2.gz NKQCFUNFZAKLBA-TZMCWYRMSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)CC2CCC2)C[C@H]1C ZINC000947162904 1333030561 /nfs/dbraw/zinc/03/05/61/1333030561.db2.gz NKQCFUNFZAKLBA-TZMCWYRMSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(CC)o3)[C@H](C)C2)C1 ZINC000947703069 1333233744 /nfs/dbraw/zinc/23/37/44/1333233744.db2.gz VFOUFIAWHRZIMH-CABCVRRESA-N 1 2 331.460 3.062 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3ncc(CC)o3)[C@H](C)C2)C1 ZINC000947703069 1333233746 /nfs/dbraw/zinc/23/37/46/1333233746.db2.gz VFOUFIAWHRZIMH-CABCVRRESA-N 1 2 331.460 3.062 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](N(C)C(=O)c2cc(CCC)[nH]n2)CC1 ZINC000948665188 1333620366 /nfs/dbraw/zinc/62/03/66/1333620366.db2.gz GVEGEVCFBLFSJT-HNNXBMFYSA-N 1 2 338.883 3.041 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)c2cc(CCC)[nH]n2)CC1 ZINC000948665188 1333620369 /nfs/dbraw/zinc/62/03/69/1333620369.db2.gz GVEGEVCFBLFSJT-HNNXBMFYSA-N 1 2 338.883 3.041 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(CC)o1 ZINC000948930078 1333737931 /nfs/dbraw/zinc/73/79/31/1333737931.db2.gz XTYGNSMYTPVVOM-LJQANCHMSA-N 1 2 336.435 3.195 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(CC)o1 ZINC000948930078 1333737934 /nfs/dbraw/zinc/73/79/34/1333737934.db2.gz XTYGNSMYTPVVOM-LJQANCHMSA-N 1 2 336.435 3.195 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cccc(C(C)C)n1 ZINC000948936361 1333740262 /nfs/dbraw/zinc/74/02/62/1333740262.db2.gz ORHSUKPSYDISTQ-OAQYLSRUSA-N 1 2 347.462 3.167 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cccc(C(C)C)n1 ZINC000948936361 1333740264 /nfs/dbraw/zinc/74/02/64/1333740264.db2.gz ORHSUKPSYDISTQ-OAQYLSRUSA-N 1 2 347.462 3.167 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(F)c(C)c1 ZINC000948950849 1333744823 /nfs/dbraw/zinc/74/48/23/1333744823.db2.gz PCDFPNRSPNURAM-FQEVSTJZSA-N 1 2 336.410 3.097 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(F)c(C)c1 ZINC000948950849 1333744825 /nfs/dbraw/zinc/74/48/25/1333744825.db2.gz PCDFPNRSPNURAM-FQEVSTJZSA-N 1 2 336.410 3.097 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1occ2c1CCCC2 ZINC000948981779 1333757063 /nfs/dbraw/zinc/75/70/63/1333757063.db2.gz FCCBTVKCCBSILF-FQEVSTJZSA-N 1 2 348.446 3.121 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1occ2c1CCCC2 ZINC000948981779 1333757066 /nfs/dbraw/zinc/75/70/66/1333757066.db2.gz FCCBTVKCCBSILF-FQEVSTJZSA-N 1 2 348.446 3.121 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccccc1OCC ZINC000948982472 1333757774 /nfs/dbraw/zinc/75/77/74/1333757774.db2.gz MKBCLBBERSQXAC-FQEVSTJZSA-N 1 2 348.446 3.048 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccccc1OCC ZINC000948982472 1333757779 /nfs/dbraw/zinc/75/77/79/1333757779.db2.gz MKBCLBBERSQXAC-FQEVSTJZSA-N 1 2 348.446 3.048 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1sccc1CC ZINC000948987082 1333760947 /nfs/dbraw/zinc/76/09/47/1333760947.db2.gz SVZRKPXFHCOPNH-SFHVURJKSA-N 1 2 338.476 3.273 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1sccc1CC ZINC000948987082 1333760950 /nfs/dbraw/zinc/76/09/50/1333760950.db2.gz SVZRKPXFHCOPNH-SFHVURJKSA-N 1 2 338.476 3.273 20 30 EGEDLO C=C1CCC(C(=O)N2CC[NH+](Cc3ccc(COC)cc3)CC2)CC1 ZINC000950019046 1333994063 /nfs/dbraw/zinc/99/40/63/1333994063.db2.gz ZGNAJYJGETVSNA-UHFFFAOYSA-N 1 2 342.483 3.224 20 30 EGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1C[NH+](Cc2ccc(C)cc2)C1 ZINC000950343233 1334045474 /nfs/dbraw/zinc/04/54/74/1334045474.db2.gz MCTLIFCLFXDDIN-UXHICEINSA-N 1 2 342.483 3.009 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC000951785260 1334314077 /nfs/dbraw/zinc/31/40/77/1334314077.db2.gz GDWSJIAKEVNTQQ-KYNGSXCRSA-N 1 2 346.446 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2cccc(CC)c2)C1 ZINC000967007996 1335640732 /nfs/dbraw/zinc/64/07/32/1335640732.db2.gz OXQSAOHLTMVENV-RDTXWAMCSA-N 1 2 334.891 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2cccc(CC)c2)C1 ZINC000967007996 1335640737 /nfs/dbraw/zinc/64/07/37/1335640737.db2.gz OXQSAOHLTMVENV-RDTXWAMCSA-N 1 2 334.891 3.371 20 30 EGEDLO C[C@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1(F)CCCC1 ZINC000967034091 1335647252 /nfs/dbraw/zinc/64/72/52/1335647252.db2.gz ROQJFOMSNSGPQO-MAUKXSAKSA-N 1 2 343.446 3.167 20 30 EGEDLO C[C@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1(F)CCCC1 ZINC000967034091 1335647254 /nfs/dbraw/zinc/64/72/54/1335647254.db2.gz ROQJFOMSNSGPQO-MAUKXSAKSA-N 1 2 343.446 3.167 20 30 EGEDLO C=C1CCC(C(=O)N2CC[C@@H](Nc3cc[nH+]c(C)n3)[C@@H](C)C2)CC1 ZINC001063792763 1352011560 /nfs/dbraw/zinc/01/15/60/1352011560.db2.gz YNVHDBGZYGVYIZ-WMLDXEAASA-N 1 2 328.460 3.180 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC000967339574 1335706650 /nfs/dbraw/zinc/70/66/50/1335706650.db2.gz STNCEKYAXXLJQK-PIGZYNQJSA-N 1 2 346.862 3.064 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC000967339574 1335706657 /nfs/dbraw/zinc/70/66/57/1335706657.db2.gz STNCEKYAXXLJQK-PIGZYNQJSA-N 1 2 346.862 3.064 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000968334117 1335892901 /nfs/dbraw/zinc/89/29/01/1335892901.db2.gz GOITYCJZRFKIPB-YMTOWFKASA-N 1 2 346.780 3.297 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000968334117 1335892903 /nfs/dbraw/zinc/89/29/03/1335892903.db2.gz GOITYCJZRFKIPB-YMTOWFKASA-N 1 2 346.780 3.297 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(F)c(OC)c2)C1 ZINC000968345188 1335895396 /nfs/dbraw/zinc/89/53/96/1335895396.db2.gz IQJVYAACJCICOK-IAQYHMDHSA-N 1 2 340.826 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(F)c(OC)c2)C1 ZINC000968345188 1335895398 /nfs/dbraw/zinc/89/53/98/1335895398.db2.gz IQJVYAACJCICOK-IAQYHMDHSA-N 1 2 340.826 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc3c2ccn3C)C1 ZINC000968423189 1335925888 /nfs/dbraw/zinc/92/58/88/1335925888.db2.gz PGEAAMBVJLANAA-DYVFJYSZSA-N 1 2 345.874 3.371 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc3c2ccn3C)C1 ZINC000968423189 1335925890 /nfs/dbraw/zinc/92/58/90/1335925890.db2.gz PGEAAMBVJLANAA-DYVFJYSZSA-N 1 2 345.874 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC000968622971 1335987087 /nfs/dbraw/zinc/98/70/87/1335987087.db2.gz DBWCEYOFMBDAIZ-BMIGLBTASA-N 1 2 328.790 3.158 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC000968622971 1335987090 /nfs/dbraw/zinc/98/70/90/1335987090.db2.gz DBWCEYOFMBDAIZ-BMIGLBTASA-N 1 2 328.790 3.158 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC000968628192 1335989469 /nfs/dbraw/zinc/98/94/69/1335989469.db2.gz ULVHRVWADOZRDD-PXAZEXFGSA-N 1 2 331.847 3.361 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC000968628192 1335989473 /nfs/dbraw/zinc/98/94/73/1335989473.db2.gz ULVHRVWADOZRDD-PXAZEXFGSA-N 1 2 331.847 3.361 20 30 EGEDLO C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc3cc(F)ccc3s2)C1 ZINC000968641008 1335993538 /nfs/dbraw/zinc/99/35/38/1335993538.db2.gz WMYFBXNINUFEHW-WFASDCNBSA-N 1 2 330.428 3.114 20 30 EGEDLO C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc3cc(F)ccc3s2)C1 ZINC000968641008 1335993542 /nfs/dbraw/zinc/99/35/42/1335993542.db2.gz WMYFBXNINUFEHW-WFASDCNBSA-N 1 2 330.428 3.114 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(Cl)cn2CC)C1 ZINC000968655168 1335998578 /nfs/dbraw/zinc/99/85/78/1335998578.db2.gz LZPUBZVAIHSFCC-BXUZGUMPSA-N 1 2 344.286 3.354 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(Cl)cn2CC)C1 ZINC000968655168 1335998584 /nfs/dbraw/zinc/99/85/84/1335998584.db2.gz LZPUBZVAIHSFCC-BXUZGUMPSA-N 1 2 344.286 3.354 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2ccc3ccccc32)C1 ZINC000968663923 1336001971 /nfs/dbraw/zinc/00/19/71/1336001971.db2.gz CEDMHVJXUDZVIF-YOEHRIQHSA-N 1 2 345.874 3.220 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2ccc3ccccc32)C1 ZINC000968663923 1336001975 /nfs/dbraw/zinc/00/19/75/1336001975.db2.gz CEDMHVJXUDZVIF-YOEHRIQHSA-N 1 2 345.874 3.220 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2ccc3ccccc32)C1 ZINC000968663921 1336002327 /nfs/dbraw/zinc/00/23/27/1336002327.db2.gz CEDMHVJXUDZVIF-RHSMWYFYSA-N 1 2 345.874 3.220 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2ccc3ccccc32)C1 ZINC000968663921 1336002330 /nfs/dbraw/zinc/00/23/30/1336002330.db2.gz CEDMHVJXUDZVIF-RHSMWYFYSA-N 1 2 345.874 3.220 20 30 EGEDLO C=C(Br)C[N@H+]1CCCCC[C@H]1CNC(=O)C1CC(C)C1 ZINC000968809285 1336057797 /nfs/dbraw/zinc/05/77/97/1336057797.db2.gz GSZOBNUWEZHUNE-ZALBZXLWSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCCC[C@H]1CNC(=O)C1CC(C)C1 ZINC000968809285 1336057802 /nfs/dbraw/zinc/05/78/02/1336057802.db2.gz GSZOBNUWEZHUNE-ZALBZXLWSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000968939697 1336097010 /nfs/dbraw/zinc/09/70/10/1336097010.db2.gz LJXGGFIRRMEURY-CQSZACIVSA-N 1 2 336.867 3.014 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1oc(CC)nc1C ZINC000969106215 1336146274 /nfs/dbraw/zinc/14/62/74/1336146274.db2.gz WAPFNBAKXLFQAW-CQSZACIVSA-N 1 2 339.867 3.272 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1oc(CC)nc1C ZINC000969106215 1336146277 /nfs/dbraw/zinc/14/62/77/1336146277.db2.gz WAPFNBAKXLFQAW-CQSZACIVSA-N 1 2 339.867 3.272 20 30 EGEDLO C[C@@H](NC(=O)C1CCCCC1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969218657 1336179592 /nfs/dbraw/zinc/17/95/92/1336179592.db2.gz AVYPLQWSCDYIMI-CQSZACIVSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC000969689277 1336237300 /nfs/dbraw/zinc/23/73/00/1336237300.db2.gz IFJKCLHVQZYRII-ZDUSSCGKSA-N 1 2 335.879 3.182 20 30 EGEDLO C=CCOc1ccccc1C(=O)N[C@@H](C)C1C[NH+](CC(=C)Cl)C1 ZINC000969989709 1336269902 /nfs/dbraw/zinc/26/99/02/1336269902.db2.gz PKSUMRVSWQXACQ-AWEZNQCLSA-N 1 2 334.847 3.054 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC000970558341 1336321445 /nfs/dbraw/zinc/32/14/45/1336321445.db2.gz QEJMWXNLXPIBKT-VBNZEHGJSA-N 1 2 336.838 3.118 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC001006081766 1336448703 /nfs/dbraw/zinc/44/87/03/1336448703.db2.gz GZNLZHFLNGQDDH-OCCSQVGLSA-N 1 2 343.309 3.254 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3ccc(F)cc3)C2)s1 ZINC001006582403 1336530380 /nfs/dbraw/zinc/53/03/80/1336530380.db2.gz BWGIHNZAZZFPKV-HNNXBMFYSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccc(F)cc3)C2)s1 ZINC001006582403 1336530382 /nfs/dbraw/zinc/53/03/82/1336530382.db2.gz BWGIHNZAZZFPKV-HNNXBMFYSA-N 1 2 343.427 3.153 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](NC(=O)C3CCCCC3)C2)c1 ZINC001006611016 1336538933 /nfs/dbraw/zinc/53/89/33/1336538933.db2.gz WEOMTXREOAXVPR-GOSISDBHSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](NC(=O)C3CCCCC3)C2)c1 ZINC001006611016 1336538935 /nfs/dbraw/zinc/53/89/35/1336538935.db2.gz WEOMTXREOAXVPR-GOSISDBHSA-N 1 2 343.446 3.358 20 30 EGEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CC=CCC1 ZINC001006713453 1336562115 /nfs/dbraw/zinc/56/21/15/1336562115.db2.gz BGUDXTZVOXWKPZ-QUCCMNQESA-N 1 2 340.442 3.114 20 30 EGEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CC=CCC1 ZINC001006713453 1336562116 /nfs/dbraw/zinc/56/21/16/1336562116.db2.gz BGUDXTZVOXWKPZ-QUCCMNQESA-N 1 2 340.442 3.114 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CC=CCC3)C2)c(F)c1 ZINC001006724587 1336564090 /nfs/dbraw/zinc/56/40/90/1336564090.db2.gz ULNPBHMYJGAZHI-AEFFLSMTSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3CC=CCC3)C2)c(F)c1 ZINC001006724587 1336564091 /nfs/dbraw/zinc/56/40/91/1336564091.db2.gz ULNPBHMYJGAZHI-AEFFLSMTSA-N 1 2 341.430 3.134 20 30 EGEDLO CC(C)(C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1)C1CC1 ZINC001008221954 1336796218 /nfs/dbraw/zinc/79/62/18/1336796218.db2.gz BNCDDMRPEGBHDY-KRWDZBQOSA-N 1 2 343.446 3.214 20 30 EGEDLO CC(C)(C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1)C1CC1 ZINC001008221954 1336796222 /nfs/dbraw/zinc/79/62/22/1336796222.db2.gz BNCDDMRPEGBHDY-KRWDZBQOSA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CC(CC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001008283627 1336814218 /nfs/dbraw/zinc/81/42/18/1336814218.db2.gz VYIKOFADUFETMZ-LJQANCHMSA-N 1 2 339.483 3.465 20 30 EGEDLO CC1(C)CC(CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001008283627 1336814221 /nfs/dbraw/zinc/81/42/21/1336814221.db2.gz VYIKOFADUFETMZ-LJQANCHMSA-N 1 2 339.483 3.465 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3cc(F)ccc3F)C2)C1 ZINC001008438285 1336853353 /nfs/dbraw/zinc/85/33/53/1336853353.db2.gz WINRRWGEELIGDC-INIZCTEOSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(F)ccc3F)C2)C1 ZINC001008438285 1336853354 /nfs/dbraw/zinc/85/33/54/1336853354.db2.gz WINRRWGEELIGDC-INIZCTEOSA-N 1 2 334.410 3.402 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001008808936 1336928974 /nfs/dbraw/zinc/92/89/74/1336928974.db2.gz WPIVVVFQMADORQ-BPQIPLTHSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001008808936 1336928977 /nfs/dbraw/zinc/92/89/77/1336928977.db2.gz WPIVVVFQMADORQ-BPQIPLTHSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccc(C)c(Cl)c2)C1 ZINC001014915311 1337949866 /nfs/dbraw/zinc/94/98/66/1337949866.db2.gz JRQKHAINTURCMY-AWEZNQCLSA-N 1 2 327.255 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(C)c(Cl)c2)C1 ZINC001014915311 1337949872 /nfs/dbraw/zinc/94/98/72/1337949872.db2.gz JRQKHAINTURCMY-AWEZNQCLSA-N 1 2 327.255 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CCc3ccccc3CC2)C1 ZINC001015030823 1337995776 /nfs/dbraw/zinc/99/57/76/1337995776.db2.gz ASQSGTXPPUQYMG-GOSISDBHSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CCc3ccccc3CC2)C1 ZINC001015030823 1337995780 /nfs/dbraw/zinc/99/57/80/1337995780.db2.gz ASQSGTXPPUQYMG-GOSISDBHSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(C3CCC3)cc2)C1 ZINC001015423475 1338135481 /nfs/dbraw/zinc/13/54/81/1338135481.db2.gz REILVMFQHVTEDR-GOSISDBHSA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(C3CCC3)cc2)C1 ZINC001015423475 1338135483 /nfs/dbraw/zinc/13/54/83/1338135483.db2.gz REILVMFQHVTEDR-GOSISDBHSA-N 1 2 332.875 3.440 20 30 EGEDLO Cc1cccc(C)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001015738163 1338279163 /nfs/dbraw/zinc/27/91/63/1338279163.db2.gz BANLPDGEKPNTCH-IBGZPJMESA-N 1 2 333.435 3.179 20 30 EGEDLO Cc1cccc(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001015738163 1338279168 /nfs/dbraw/zinc/27/91/68/1338279168.db2.gz BANLPDGEKPNTCH-IBGZPJMESA-N 1 2 333.435 3.179 20 30 EGEDLO C=Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)cc1 ZINC001015740555 1338282615 /nfs/dbraw/zinc/28/26/15/1338282615.db2.gz YBMDWHPWKRFOKL-IBGZPJMESA-N 1 2 349.409 3.345 20 30 EGEDLO C=Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)cc1 ZINC001015740555 1338282616 /nfs/dbraw/zinc/28/26/16/1338282616.db2.gz YBMDWHPWKRFOKL-IBGZPJMESA-N 1 2 349.409 3.345 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H](F)c3ccccc3)C2)s1 ZINC001015768909 1338301509 /nfs/dbraw/zinc/30/15/09/1338301509.db2.gz IETUDJWJMAEZON-PBHICJAKSA-N 1 2 343.427 3.021 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H](F)c3ccccc3)C2)s1 ZINC001015768909 1338301510 /nfs/dbraw/zinc/30/15/10/1338301510.db2.gz IETUDJWJMAEZON-PBHICJAKSA-N 1 2 343.427 3.021 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc(CC)cc2)C1 ZINC001015961898 1338380310 /nfs/dbraw/zinc/38/03/10/1338380310.db2.gz MMNWNVOOIXIAKD-KRWDZBQOSA-N 1 2 334.891 3.470 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc(CC)cc2)C1 ZINC001015961898 1338380312 /nfs/dbraw/zinc/38/03/12/1338380312.db2.gz MMNWNVOOIXIAKD-KRWDZBQOSA-N 1 2 334.891 3.470 20 30 EGEDLO CCCc1occc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001015991281 1338396799 /nfs/dbraw/zinc/39/67/99/1338396799.db2.gz ZBXDGNQWQCQTQI-CYBMUJFWSA-N 1 2 343.452 3.170 20 30 EGEDLO CCCc1occc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001015991281 1338396803 /nfs/dbraw/zinc/39/68/03/1338396803.db2.gz ZBXDGNQWQCQTQI-CYBMUJFWSA-N 1 2 343.452 3.170 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1)c1ccccc1 ZINC001016035866 1338420532 /nfs/dbraw/zinc/42/05/32/1338420532.db2.gz ALFVPLAZPHBLOE-UZLBHIALSA-N 1 2 333.435 3.052 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1)c1ccccc1 ZINC001016035866 1338420533 /nfs/dbraw/zinc/42/05/33/1338420533.db2.gz ALFVPLAZPHBLOE-UZLBHIALSA-N 1 2 333.435 3.052 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC001016067639 1338440982 /nfs/dbraw/zinc/44/09/82/1338440982.db2.gz GQOBDFKLVOSCMU-CYBMUJFWSA-N 1 2 332.753 3.262 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC001016067639 1338440986 /nfs/dbraw/zinc/44/09/86/1338440986.db2.gz GQOBDFKLVOSCMU-CYBMUJFWSA-N 1 2 332.753 3.262 20 30 EGEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ccccc1Cl ZINC001016069283 1338442252 /nfs/dbraw/zinc/44/22/52/1338442252.db2.gz XZGFTRAZPGMCMT-QGZVFWFLSA-N 1 2 338.838 3.196 20 30 EGEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ccccc1Cl ZINC001016069283 1338442253 /nfs/dbraw/zinc/44/22/53/1338442253.db2.gz XZGFTRAZPGMCMT-QGZVFWFLSA-N 1 2 338.838 3.196 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001017535192 1339363534 /nfs/dbraw/zinc/36/35/34/1339363534.db2.gz KMCUQXNLAVVHLN-ZMYBRWDISA-N 1 2 342.870 3.490 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001017535192 1339363535 /nfs/dbraw/zinc/36/35/35/1339363535.db2.gz KMCUQXNLAVVHLN-ZMYBRWDISA-N 1 2 342.870 3.490 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](Cc1ccccc1)C(C)C ZINC001017938158 1339460731 /nfs/dbraw/zinc/46/07/31/1339460731.db2.gz XIPJMOJWJARFPF-HBMCJLEFSA-N 1 2 338.495 3.200 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](Cc1ccccc1)C(C)C ZINC001017938158 1339460734 /nfs/dbraw/zinc/46/07/34/1339460734.db2.gz XIPJMOJWJARFPF-HBMCJLEFSA-N 1 2 338.495 3.200 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cc(C)c(C)cc2o1 ZINC001018181368 1339523913 /nfs/dbraw/zinc/52/39/13/1339523913.db2.gz OCTBOUDEUQEFRW-HDICACEKSA-N 1 2 336.435 3.362 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cc(C)c(C)cc2o1 ZINC001018181368 1339523915 /nfs/dbraw/zinc/52/39/15/1339523915.db2.gz OCTBOUDEUQEFRW-HDICACEKSA-N 1 2 336.435 3.362 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCc2ccccc21 ZINC001018315493 1339573307 /nfs/dbraw/zinc/57/33/07/1339573307.db2.gz DHBRYQLQUJKJMM-ZVDOUQERSA-N 1 2 336.479 3.195 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCc2ccccc21 ZINC001018315493 1339573308 /nfs/dbraw/zinc/57/33/08/1339573308.db2.gz DHBRYQLQUJKJMM-ZVDOUQERSA-N 1 2 336.479 3.195 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001028067779 1340407317 /nfs/dbraw/zinc/40/73/17/1340407317.db2.gz BZYCBDYVKOEJEM-OAHLLOKOSA-N 1 2 331.847 3.423 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001028067779 1340407323 /nfs/dbraw/zinc/40/73/23/1340407323.db2.gz BZYCBDYVKOEJEM-OAHLLOKOSA-N 1 2 331.847 3.423 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@H+]2[C@H](C)c2nnc(CC)o2)CC1 ZINC001028116983 1340438533 /nfs/dbraw/zinc/43/85/33/1340438533.db2.gz LPQJKOLJYDNZLF-ZBFHGGJFSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H](C)c2nnc(CC)o2)CC1 ZINC001028116983 1340438535 /nfs/dbraw/zinc/43/85/35/1340438535.db2.gz LPQJKOLJYDNZLF-ZBFHGGJFSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc([C@@H](C)CC)no1 ZINC001028187137 1340475164 /nfs/dbraw/zinc/47/51/64/1340475164.db2.gz CVVGOKXICLIMLY-WCQYABFASA-N 1 2 325.840 3.135 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([C@@H](C)CC)no1 ZINC001028187137 1340475165 /nfs/dbraw/zinc/47/51/65/1340475165.db2.gz CVVGOKXICLIMLY-WCQYABFASA-N 1 2 325.840 3.135 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(F)cc1Cl ZINC001028297777 1340547331 /nfs/dbraw/zinc/54/73/31/1340547331.db2.gz MBLIZDSOCYTKSV-LBPRGKRZSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(F)cc1Cl ZINC001028297777 1340547332 /nfs/dbraw/zinc/54/73/32/1340547332.db2.gz MBLIZDSOCYTKSV-LBPRGKRZSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc2c(cccc2OC)[nH]1 ZINC001028316081 1340560925 /nfs/dbraw/zinc/56/09/25/1340560925.db2.gz KIWHKSHQXAXHGO-ZDUSSCGKSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c(cccc2OC)[nH]1 ZINC001028316081 1340560927 /nfs/dbraw/zinc/56/09/27/1340560927.db2.gz KIWHKSHQXAXHGO-ZDUSSCGKSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C12CC(C(F)(F)F)(C1)C2 ZINC001028336839 1340573499 /nfs/dbraw/zinc/57/34/99/1340573499.db2.gz DFHMKDKQYFSHOQ-LMWSTFAQSA-N 1 2 336.785 3.052 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C12CC(C(F)(F)F)(C1)C2 ZINC001028336839 1340573501 /nfs/dbraw/zinc/57/35/01/1340573501.db2.gz DFHMKDKQYFSHOQ-LMWSTFAQSA-N 1 2 336.785 3.052 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C12CC(c3ccccc3)(C1)C2 ZINC001028339683 1340577179 /nfs/dbraw/zinc/57/71/79/1340577179.db2.gz ACKWCHFQNPCTMJ-QHGAOEGBSA-N 1 2 344.886 3.441 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C12CC(c3ccccc3)(C1)C2 ZINC001028339683 1340577181 /nfs/dbraw/zinc/57/71/81/1340577181.db2.gz ACKWCHFQNPCTMJ-QHGAOEGBSA-N 1 2 344.886 3.441 20 30 EGEDLO CC(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001029322289 1340971787 /nfs/dbraw/zinc/97/17/87/1340971787.db2.gz KCAIJVLNHFHAMX-KDURUIRLSA-N 1 2 339.483 3.416 20 30 EGEDLO CC(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001029322289 1340971788 /nfs/dbraw/zinc/97/17/88/1340971788.db2.gz KCAIJVLNHFHAMX-KDURUIRLSA-N 1 2 339.483 3.416 20 30 EGEDLO C[C@@H]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C#N)s2)C1 ZINC001029500196 1341001657 /nfs/dbraw/zinc/00/16/57/1341001657.db2.gz AKLZFKRUZFMINJ-FPCVCCKLSA-N 1 2 343.496 3.231 20 30 EGEDLO C[C@@H]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)s2)C1 ZINC001029500196 1341001658 /nfs/dbraw/zinc/00/16/58/1341001658.db2.gz AKLZFKRUZFMINJ-FPCVCCKLSA-N 1 2 343.496 3.231 20 30 EGEDLO C[C@@H]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)C1 ZINC001029501240 1341001797 /nfs/dbraw/zinc/00/17/97/1341001797.db2.gz KGPWHDSSCQHDJP-PMXSJFBMSA-N 1 2 336.479 3.150 20 30 EGEDLO C[C@@H]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)C1 ZINC001029501240 1341001799 /nfs/dbraw/zinc/00/17/99/1341001799.db2.gz KGPWHDSSCQHDJP-PMXSJFBMSA-N 1 2 336.479 3.150 20 30 EGEDLO C=CCn1cccc1C(=O)NC1C[NH+](Cc2ccc(C(C)C)cc2)C1 ZINC001030446359 1341188407 /nfs/dbraw/zinc/18/84/07/1341188407.db2.gz DMDZOELWOJMFOO-UHFFFAOYSA-N 1 2 337.467 3.412 20 30 EGEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)C1CCCCC1 ZINC001031520331 1341361324 /nfs/dbraw/zinc/36/13/24/1341361324.db2.gz VVCBXQIDTSKTTM-UHFFFAOYSA-N 1 2 344.886 3.320 20 30 EGEDLO CC(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032419198 1341507478 /nfs/dbraw/zinc/50/74/78/1341507478.db2.gz HMNHORCRYKJBEA-ROUUACIJSA-N 1 2 325.456 3.026 20 30 EGEDLO CC(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032419198 1341507480 /nfs/dbraw/zinc/50/74/80/1341507480.db2.gz HMNHORCRYKJBEA-ROUUACIJSA-N 1 2 325.456 3.026 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(F)c1 ZINC001032422988 1341509101 /nfs/dbraw/zinc/50/91/01/1341509101.db2.gz QDIQJERLQDBOCM-HOTGVXAUSA-N 1 2 336.838 3.390 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(F)c1 ZINC001032422988 1341509102 /nfs/dbraw/zinc/50/91/02/1341509102.db2.gz QDIQJERLQDBOCM-HOTGVXAUSA-N 1 2 336.838 3.390 20 30 EGEDLO O=C(C[C@H]1C=CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032470798 1341516023 /nfs/dbraw/zinc/51/60/23/1341516023.db2.gz GIVYZBOITXHNAO-ACRUOGEOSA-N 1 2 334.463 3.070 20 30 EGEDLO O=C(C[C@H]1C=CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032470798 1341516024 /nfs/dbraw/zinc/51/60/24/1341516024.db2.gz GIVYZBOITXHNAO-ACRUOGEOSA-N 1 2 334.463 3.070 20 30 EGEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C)c(F)c2)cc1 ZINC001032555395 1341539673 /nfs/dbraw/zinc/53/96/73/1341539673.db2.gz LRCHNQFOWQOXFO-PMACEKPBSA-N 1 2 348.421 3.214 20 30 EGEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C)c(F)c2)cc1 ZINC001032555395 1341539674 /nfs/dbraw/zinc/53/96/74/1341539674.db2.gz LRCHNQFOWQOXFO-PMACEKPBSA-N 1 2 348.421 3.214 20 30 EGEDLO C=C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cncc(C)c1)c1ccccc1 ZINC001032797420 1341617255 /nfs/dbraw/zinc/61/72/55/1341617255.db2.gz SECRBKOUOLHOGJ-ACRUOGEOSA-N 1 2 347.462 3.145 20 30 EGEDLO C=C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cncc(C)c1)c1ccccc1 ZINC001032797420 1341617256 /nfs/dbraw/zinc/61/72/56/1341617256.db2.gz SECRBKOUOLHOGJ-ACRUOGEOSA-N 1 2 347.462 3.145 20 30 EGEDLO CN(C(=O)c1ccco1)[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001032872219 1341643851 /nfs/dbraw/zinc/64/38/51/1341643851.db2.gz KWPJMCVCULKRGX-QGZVFWFLSA-N 1 2 342.826 3.131 20 30 EGEDLO CN(C(=O)c1ccco1)[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001032872219 1341643853 /nfs/dbraw/zinc/64/38/53/1341643853.db2.gz KWPJMCVCULKRGX-QGZVFWFLSA-N 1 2 342.826 3.131 20 30 EGEDLO CN(C(=O)C[C@H]1C=CCC1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032897995 1341655653 /nfs/dbraw/zinc/65/56/53/1341655653.db2.gz BMRRWSZKURXHET-HNAYVOBHSA-N 1 2 341.430 3.086 20 30 EGEDLO CN(C(=O)C[C@H]1C=CCC1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032897995 1341655654 /nfs/dbraw/zinc/65/56/54/1341655654.db2.gz BMRRWSZKURXHET-HNAYVOBHSA-N 1 2 341.430 3.086 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3nccc(C)c3c2)C1 ZINC001033111112 1341729264 /nfs/dbraw/zinc/72/92/64/1341729264.db2.gz QZJILKQTIDXXIW-MRXNPFEDSA-N 1 2 343.858 3.442 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3nccc(C)c3c2)C1 ZINC001033111112 1341729268 /nfs/dbraw/zinc/72/92/68/1341729268.db2.gz QZJILKQTIDXXIW-MRXNPFEDSA-N 1 2 343.858 3.442 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC001033150681 1341740772 /nfs/dbraw/zinc/74/07/72/1341740772.db2.gz XYCWRSSLCHKISZ-SVXFNXITSA-N 1 2 336.907 3.344 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC001033150681 1341740774 /nfs/dbraw/zinc/74/07/74/1341740774.db2.gz XYCWRSSLCHKISZ-SVXFNXITSA-N 1 2 336.907 3.344 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2cccc(C(F)F)c2)C1 ZINC001033258544 1341760594 /nfs/dbraw/zinc/76/05/94/1341760594.db2.gz AMFAZHTUJHNMJV-HNNXBMFYSA-N 1 2 342.817 3.452 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2cccc(C(F)F)c2)C1 ZINC001033258544 1341760595 /nfs/dbraw/zinc/76/05/95/1341760595.db2.gz AMFAZHTUJHNMJV-HNNXBMFYSA-N 1 2 342.817 3.452 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cncc3sccc32)C1 ZINC001033359535 1341795994 /nfs/dbraw/zinc/79/59/94/1341795994.db2.gz XWIDYYFZWXJAIN-LBPRGKRZSA-N 1 2 335.860 3.195 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cncc3sccc32)C1 ZINC001033359535 1341795996 /nfs/dbraw/zinc/79/59/96/1341795996.db2.gz XWIDYYFZWXJAIN-LBPRGKRZSA-N 1 2 335.860 3.195 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2(c3cccnc3)CCCC2)C1 ZINC001033366945 1341798422 /nfs/dbraw/zinc/79/84/22/1341798422.db2.gz XQBZCSIGYTTYSG-KRWDZBQOSA-N 1 2 347.890 3.179 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2(c3cccnc3)CCCC2)C1 ZINC001033366945 1341798424 /nfs/dbraw/zinc/79/84/24/1341798424.db2.gz XQBZCSIGYTTYSG-KRWDZBQOSA-N 1 2 347.890 3.179 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1 ZINC001033495865 1341846565 /nfs/dbraw/zinc/84/65/65/1341846565.db2.gz COIABSRSZSIGHY-BHYGNILZSA-N 1 2 348.874 3.084 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1 ZINC001033495865 1341846568 /nfs/dbraw/zinc/84/65/68/1341846568.db2.gz COIABSRSZSIGHY-BHYGNILZSA-N 1 2 348.874 3.084 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001033499581 1341847668 /nfs/dbraw/zinc/84/76/68/1341847668.db2.gz LBIUJFFGFCTBCL-RYQLBKOJSA-N 1 2 332.875 3.384 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001033499581 1341847669 /nfs/dbraw/zinc/84/76/69/1341847669.db2.gz LBIUJFFGFCTBCL-RYQLBKOJSA-N 1 2 332.875 3.384 20 30 EGEDLO CN(C(=O)C(C)(C)C)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033602599 1341892865 /nfs/dbraw/zinc/89/28/65/1341892865.db2.gz CDFAPAWCKFPYRQ-MRXNPFEDSA-N 1 2 332.875 3.270 20 30 EGEDLO CN(C(=O)C(C)(C)C)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033602599 1341892867 /nfs/dbraw/zinc/89/28/67/1341892867.db2.gz CDFAPAWCKFPYRQ-MRXNPFEDSA-N 1 2 332.875 3.270 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)c2ccc(F)cc2F)C1 ZINC001033679751 1341946398 /nfs/dbraw/zinc/94/63/98/1341946398.db2.gz LMAMGBUZWOKFMT-TZMCWYRMSA-N 1 2 342.817 3.354 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)c2ccc(F)cc2F)C1 ZINC001033679751 1341946401 /nfs/dbraw/zinc/94/64/01/1341946401.db2.gz LMAMGBUZWOKFMT-TZMCWYRMSA-N 1 2 342.817 3.354 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(N(C)CC)cc2)C1 ZINC001033703029 1341968009 /nfs/dbraw/zinc/96/80/09/1341968009.db2.gz UFMALYZVXHQETQ-KRWDZBQOSA-N 1 2 335.879 3.042 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(N(C)CC)cc2)C1 ZINC001033703029 1341968010 /nfs/dbraw/zinc/96/80/10/1341968010.db2.gz UFMALYZVXHQETQ-KRWDZBQOSA-N 1 2 335.879 3.042 20 30 EGEDLO CCN(C(=O)c1ccoc1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033749870 1341994021 /nfs/dbraw/zinc/99/40/21/1341994021.db2.gz NBMASXZSIJFGEH-QGZVFWFLSA-N 1 2 341.386 3.027 20 30 EGEDLO CCN(C(=O)c1ccoc1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033749870 1341994022 /nfs/dbraw/zinc/99/40/22/1341994022.db2.gz NBMASXZSIJFGEH-QGZVFWFLSA-N 1 2 341.386 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001033848875 1342043200 /nfs/dbraw/zinc/04/32/00/1342043200.db2.gz GJNAFDXHGGIZAZ-GJZGRUSLSA-N 1 2 338.883 3.143 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001033848875 1342043202 /nfs/dbraw/zinc/04/32/02/1342043202.db2.gz GJNAFDXHGGIZAZ-GJZGRUSLSA-N 1 2 338.883 3.143 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(F)c(F)c2)C1 ZINC001033856779 1342047265 /nfs/dbraw/zinc/04/72/65/1342047265.db2.gz WKCUESSBPHCRCC-CYBMUJFWSA-N 1 2 328.790 3.254 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(F)c(F)c2)C1 ZINC001033856779 1342047268 /nfs/dbraw/zinc/04/72/68/1342047268.db2.gz WKCUESSBPHCRCC-CYBMUJFWSA-N 1 2 328.790 3.254 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(OC)c(F)c2)C1 ZINC001033859857 1342048875 /nfs/dbraw/zinc/04/88/75/1342048875.db2.gz JPGHUVZUAHQBPN-CQSZACIVSA-N 1 2 340.826 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(OC)c(F)c2)C1 ZINC001033859857 1342048877 /nfs/dbraw/zinc/04/88/77/1342048877.db2.gz JPGHUVZUAHQBPN-CQSZACIVSA-N 1 2 340.826 3.123 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(C(C)(C)C)on2)C1 ZINC001033899227 1342070191 /nfs/dbraw/zinc/07/01/91/1342070191.db2.gz GKBUZFGTMHSPNE-CYBMUJFWSA-N 1 2 339.867 3.261 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C(C)(C)C)on2)C1 ZINC001033899227 1342070194 /nfs/dbraw/zinc/07/01/94/1342070194.db2.gz GKBUZFGTMHSPNE-CYBMUJFWSA-N 1 2 339.867 3.261 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3[nH]ccc3c2)C1 ZINC001033942971 1342104750 /nfs/dbraw/zinc/10/47/50/1342104750.db2.gz OAWMDMKIOVRUGN-MRXNPFEDSA-N 1 2 331.847 3.457 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3[nH]ccc3c2)C1 ZINC001033942971 1342104752 /nfs/dbraw/zinc/10/47/52/1342104752.db2.gz OAWMDMKIOVRUGN-MRXNPFEDSA-N 1 2 331.847 3.457 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](Cc3nc(C)c(C)o3)C2)CC1 ZINC001033943797 1342105254 /nfs/dbraw/zinc/10/52/54/1342105254.db2.gz CJXNKMSTZYLRJV-GOSISDBHSA-N 1 2 345.487 3.461 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](Cc3nc(C)c(C)o3)C2)CC1 ZINC001033943797 1342105256 /nfs/dbraw/zinc/10/52/56/1342105256.db2.gz CJXNKMSTZYLRJV-GOSISDBHSA-N 1 2 345.487 3.461 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](Cc3nccn3CC)C2)CC1 ZINC001033945633 1342106426 /nfs/dbraw/zinc/10/64/26/1342106426.db2.gz OOFODKPBLINARE-GOSISDBHSA-N 1 2 344.503 3.072 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](Cc3nccn3CC)C2)CC1 ZINC001033945633 1342106429 /nfs/dbraw/zinc/10/64/29/1342106429.db2.gz OOFODKPBLINARE-GOSISDBHSA-N 1 2 344.503 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cncc(Cl)c2)C1 ZINC001033986594 1342132403 /nfs/dbraw/zinc/13/24/03/1342132403.db2.gz TYVQGLNPKIWZMZ-CQSZACIVSA-N 1 2 328.243 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cncc(Cl)c2)C1 ZINC001033986594 1342132404 /nfs/dbraw/zinc/13/24/04/1342132404.db2.gz TYVQGLNPKIWZMZ-CQSZACIVSA-N 1 2 328.243 3.024 20 30 EGEDLO O=C(N[C@@H]1CCCC[N@@H+](CC#Cc2ccccc2Cl)C1)C1CC1 ZINC001034066553 1342205049 /nfs/dbraw/zinc/20/50/49/1342205049.db2.gz QHEQSBOXMWJRQX-QGZVFWFLSA-N 1 2 330.859 3.072 20 30 EGEDLO O=C(N[C@@H]1CCCC[N@H+](CC#Cc2ccccc2Cl)C1)C1CC1 ZINC001034066553 1342205050 /nfs/dbraw/zinc/20/50/50/1342205050.db2.gz QHEQSBOXMWJRQX-QGZVFWFLSA-N 1 2 330.859 3.072 20 30 EGEDLO CC(C)C(=O)N[C@@H]1CCCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001034115973 1342249731 /nfs/dbraw/zinc/24/97/31/1342249731.db2.gz YGTHOJXPUPFVPN-QGZVFWFLSA-N 1 2 332.875 3.318 20 30 EGEDLO CC(C)C(=O)N[C@@H]1CCCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001034115973 1342249735 /nfs/dbraw/zinc/24/97/35/1342249735.db2.gz YGTHOJXPUPFVPN-QGZVFWFLSA-N 1 2 332.875 3.318 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)c2coc(C)c2)C1 ZINC001034185548 1342303697 /nfs/dbraw/zinc/30/36/97/1342303697.db2.gz XLIWMGOVYOYHTO-CQSZACIVSA-N 1 2 341.249 3.081 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)c2coc(C)c2)C1 ZINC001034185548 1342303699 /nfs/dbraw/zinc/30/36/99/1342303699.db2.gz XLIWMGOVYOYHTO-CQSZACIVSA-N 1 2 341.249 3.081 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(C(C)C)on2)C1 ZINC001034327736 1342402066 /nfs/dbraw/zinc/40/20/66/1342402066.db2.gz KMQNQVHPWYFLAW-CYBMUJFWSA-N 1 2 325.840 3.135 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C(C)C)on2)C1 ZINC001034327736 1342402068 /nfs/dbraw/zinc/40/20/68/1342402068.db2.gz KMQNQVHPWYFLAW-CYBMUJFWSA-N 1 2 325.840 3.135 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccc3c(c1)COC3)CC2 ZINC001035816180 1343213539 /nfs/dbraw/zinc/21/35/39/1343213539.db2.gz NCHDNSODHANVRP-UHFFFAOYSA-N 1 2 346.858 3.007 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cc(C)c(CC)o1)CC2 ZINC001035838490 1343221203 /nfs/dbraw/zinc/22/12/03/1343221203.db2.gz AFVUSQJKECRMJK-UHFFFAOYSA-N 1 2 336.863 3.441 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)CC[C@H]1CC[C@@H](C)O1)CC2 ZINC001035854483 1343231409 /nfs/dbraw/zinc/23/14/09/1343231409.db2.gz ZUWZIHIRCBDRAU-HZPDHXFCSA-N 1 2 340.895 3.011 20 30 EGEDLO C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038144055 1344297516 /nfs/dbraw/zinc/29/75/16/1344297516.db2.gz IUDHWYKMGHMCRU-JSGCOSHPSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038144055 1344297517 /nfs/dbraw/zinc/29/75/17/1344297517.db2.gz IUDHWYKMGHMCRU-JSGCOSHPSA-N 1 2 342.830 3.105 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)c1ccccc1F ZINC001038344175 1344388403 /nfs/dbraw/zinc/38/84/03/1344388403.db2.gz FKKBSTAGSQRWMD-HOTGVXAUSA-N 1 2 341.430 3.379 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)c1ccccc1F ZINC001038344175 1344388406 /nfs/dbraw/zinc/38/84/06/1344388406.db2.gz FKKBSTAGSQRWMD-HOTGVXAUSA-N 1 2 341.430 3.379 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2coc(C(F)F)c2)c1 ZINC001038644204 1344519799 /nfs/dbraw/zinc/51/97/99/1344519799.db2.gz JHENSDGNSHQTIS-OAHLLOKOSA-N 1 2 345.349 3.093 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2coc(C(F)F)c2)c1 ZINC001038644204 1344519800 /nfs/dbraw/zinc/51/98/00/1344519800.db2.gz JHENSDGNSHQTIS-OAHLLOKOSA-N 1 2 345.349 3.093 20 30 EGEDLO CCCc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)cc1 ZINC001038652187 1344523271 /nfs/dbraw/zinc/52/32/71/1344523271.db2.gz RYRYFGHPDRLGDA-QFIPXVFZSA-N 1 2 346.474 3.495 20 30 EGEDLO CCCc1ccc(C(=O)NC[C@@H]2CC[N@H+]2CC#Cc2ccccc2)cc1 ZINC001038652187 1344523276 /nfs/dbraw/zinc/52/32/76/1344523276.db2.gz RYRYFGHPDRLGDA-QFIPXVFZSA-N 1 2 346.474 3.495 20 30 EGEDLO Cc1cccc(C)c1C(=O)NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001038728899 1344555789 /nfs/dbraw/zinc/55/57/89/1344555789.db2.gz WCFAILBERJSAKV-HXUWFJFHSA-N 1 2 332.447 3.159 20 30 EGEDLO Cc1cccc(C)c1C(=O)NC[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001038728899 1344555791 /nfs/dbraw/zinc/55/57/91/1344555791.db2.gz WCFAILBERJSAKV-HXUWFJFHSA-N 1 2 332.447 3.159 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc(Cl)cs2)c1 ZINC001038767765 1344575525 /nfs/dbraw/zinc/57/55/25/1344575525.db2.gz KUAXKXBZHLWDCD-HNNXBMFYSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc(Cl)cs2)c1 ZINC001038767765 1344575528 /nfs/dbraw/zinc/57/55/28/1344575528.db2.gz KUAXKXBZHLWDCD-HNNXBMFYSA-N 1 2 345.855 3.277 20 30 EGEDLO CCc1cc(C)c(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)o1 ZINC001038919571 1344652314 /nfs/dbraw/zinc/65/23/14/1344652314.db2.gz FKPLBJXXDREQHU-QGZVFWFLSA-N 1 2 337.423 3.026 20 30 EGEDLO CCc1cc(C)c(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)o1 ZINC001038919571 1344652319 /nfs/dbraw/zinc/65/23/19/1344652319.db2.gz FKPLBJXXDREQHU-QGZVFWFLSA-N 1 2 337.423 3.026 20 30 EGEDLO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2CC#Cc2ccccc2)cc1C ZINC001038988979 1344700285 /nfs/dbraw/zinc/70/02/85/1344700285.db2.gz FPUIRJXKQLGXRV-OAQYLSRUSA-N 1 2 332.447 3.159 20 30 EGEDLO Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2CC#Cc2ccccc2)cc1C ZINC001038988979 1344700289 /nfs/dbraw/zinc/70/02/89/1344700289.db2.gz FPUIRJXKQLGXRV-OAQYLSRUSA-N 1 2 332.447 3.159 20 30 EGEDLO CC1(C)CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001039059716 1344742525 /nfs/dbraw/zinc/74/25/25/1344742525.db2.gz HIBLUFPKEAJPMZ-PMACEKPBSA-N 1 2 338.495 3.445 20 30 EGEDLO CC1(C)CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001039059716 1344742531 /nfs/dbraw/zinc/74/25/31/1344742531.db2.gz HIBLUFPKEAJPMZ-PMACEKPBSA-N 1 2 338.495 3.445 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)o1 ZINC001039331477 1345018144 /nfs/dbraw/zinc/01/81/44/1345018144.db2.gz OADAOCHFUZGJAZ-NEPJUHHUSA-N 1 2 329.227 3.364 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)o1 ZINC001039331477 1345018146 /nfs/dbraw/zinc/01/81/46/1345018146.db2.gz OADAOCHFUZGJAZ-NEPJUHHUSA-N 1 2 329.227 3.364 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001039377534 1345034328 /nfs/dbraw/zinc/03/43/28/1345034328.db2.gz CWKDFGGKEGTGOH-MDMSPXHWSA-N 1 2 334.891 3.407 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001039377534 1345034330 /nfs/dbraw/zinc/03/43/30/1345034330.db2.gz CWKDFGGKEGTGOH-MDMSPXHWSA-N 1 2 334.891 3.407 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(CC)CCOCC1 ZINC001039455769 1345076994 /nfs/dbraw/zinc/07/69/94/1345076994.db2.gz QHTQUKYVWZNAIY-CVEARBPZSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(CC)CCOCC1 ZINC001039455769 1345076996 /nfs/dbraw/zinc/07/69/96/1345076996.db2.gz QHTQUKYVWZNAIY-CVEARBPZSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3c(C)onc3C3CC3)C[C@@H]21 ZINC001042156573 1345958930 /nfs/dbraw/zinc/95/89/30/1345958930.db2.gz UUMIKCCYUIEAIG-HIFRSBDPSA-N 1 2 349.862 3.149 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c(C)onc3C3CC3)C[C@@H]21 ZINC001042156573 1345958931 /nfs/dbraw/zinc/95/89/31/1345958931.db2.gz UUMIKCCYUIEAIG-HIFRSBDPSA-N 1 2 349.862 3.149 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ncoc3C(C)C)C[C@@H]21 ZINC001042305586 1346025262 /nfs/dbraw/zinc/02/52/62/1346025262.db2.gz ZYQBNTHKGPVGDS-KGLIPLIRSA-N 1 2 337.851 3.087 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ncoc3C(C)C)C[C@@H]21 ZINC001042305586 1346025264 /nfs/dbraw/zinc/02/52/64/1346025264.db2.gz ZYQBNTHKGPVGDS-KGLIPLIRSA-N 1 2 337.851 3.087 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3sccc3OC)C[C@H]21 ZINC001042319610 1346031447 /nfs/dbraw/zinc/03/14/47/1346031447.db2.gz KHYZKBNNNMGRLB-QWHCGFSZSA-N 1 2 340.876 3.046 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3sccc3OC)C[C@H]21 ZINC001042319610 1346031448 /nfs/dbraw/zinc/03/14/48/1346031448.db2.gz KHYZKBNNNMGRLB-QWHCGFSZSA-N 1 2 340.876 3.046 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]1C[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001045185989 1346522414 /nfs/dbraw/zinc/52/24/14/1346522414.db2.gz SMNIYGLQZPQBEJ-IFXJQAMLSA-N 1 2 348.491 3.050 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC001045576765 1346634100 /nfs/dbraw/zinc/63/41/00/1346634100.db2.gz AUPOFPNYPXXMMX-OCCSQVGLSA-N 1 2 343.309 3.302 20 30 EGEDLO C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(F)C(F)(F)F)C2 ZINC001045939702 1346775849 /nfs/dbraw/zinc/77/58/49/1346775849.db2.gz GQXYLCFELBHNAA-DZGCQCFKSA-N 1 2 336.373 3.168 20 30 EGEDLO C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(F)C(F)(F)F)C2 ZINC001045939702 1346775850 /nfs/dbraw/zinc/77/58/50/1346775850.db2.gz GQXYLCFELBHNAA-DZGCQCFKSA-N 1 2 336.373 3.168 20 30 EGEDLO C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](F)C(F)(F)F)C2 ZINC001045939702 1346775853 /nfs/dbraw/zinc/77/58/53/1346775853.db2.gz GQXYLCFELBHNAA-DZGCQCFKSA-N 1 2 336.373 3.168 20 30 EGEDLO C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](F)C(F)(F)F)C2 ZINC001045939702 1346775856 /nfs/dbraw/zinc/77/58/56/1346775856.db2.gz GQXYLCFELBHNAA-DZGCQCFKSA-N 1 2 336.373 3.168 20 30 EGEDLO C[C@@]1(NC(=O)c2cccs2)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046115684 1346853646 /nfs/dbraw/zinc/85/36/46/1346853646.db2.gz MKUROLKOGFVWTL-GOSISDBHSA-N 1 2 325.437 3.014 20 30 EGEDLO C[C@@]1(NC(=O)c2cccs2)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046115684 1346853648 /nfs/dbraw/zinc/85/36/48/1346853648.db2.gz MKUROLKOGFVWTL-GOSISDBHSA-N 1 2 325.437 3.014 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2coc3c2cccc3OC)C1 ZINC001046319028 1346933782 /nfs/dbraw/zinc/93/37/82/1346933782.db2.gz OOWNWEOYBLSHHM-GOSISDBHSA-N 1 2 348.830 3.388 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2coc3c2cccc3OC)C1 ZINC001046319028 1346933783 /nfs/dbraw/zinc/93/37/83/1346933783.db2.gz OOWNWEOYBLSHHM-GOSISDBHSA-N 1 2 348.830 3.388 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3ccc(OC)cc32)C1 ZINC001046386403 1346958604 /nfs/dbraw/zinc/95/86/04/1346958604.db2.gz FRTNSKUGNVPDCR-LPHOPBHVSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3ccc(OC)cc32)C1 ZINC001046386403 1346958606 /nfs/dbraw/zinc/95/86/06/1346958606.db2.gz FRTNSKUGNVPDCR-LPHOPBHVSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001046567086 1347020525 /nfs/dbraw/zinc/02/05/25/1347020525.db2.gz KAQDUJISCRCRCJ-SGTLLEGYSA-N 1 2 334.847 3.129 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001046567086 1347020528 /nfs/dbraw/zinc/02/05/28/1347020528.db2.gz KAQDUJISCRCRCJ-SGTLLEGYSA-N 1 2 334.847 3.129 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001046655749 1347051394 /nfs/dbraw/zinc/05/13/94/1347051394.db2.gz AGJYYMIIXZMIAA-HKUYNNGSSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001046655749 1347051398 /nfs/dbraw/zinc/05/13/98/1347051398.db2.gz AGJYYMIIXZMIAA-HKUYNNGSSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ncc(Cl)cc2Cl)C1 ZINC001046727285 1347074772 /nfs/dbraw/zinc/07/47/72/1347074772.db2.gz BXWLVJCUBMJUJQ-CQSZACIVSA-N 1 2 348.661 3.335 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ncc(Cl)cc2Cl)C1 ZINC001046727285 1347074775 /nfs/dbraw/zinc/07/47/75/1347074775.db2.gz BXWLVJCUBMJUJQ-CQSZACIVSA-N 1 2 348.661 3.335 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnc3ccc(F)cc3c2)C1 ZINC001046759245 1347087246 /nfs/dbraw/zinc/08/72/46/1347087246.db2.gz XQOBJAVHSXNIEQ-SFHVURJKSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnc3ccc(F)cc3c2)C1 ZINC001046759245 1347087249 /nfs/dbraw/zinc/08/72/49/1347087249.db2.gz XQOBJAVHSXNIEQ-SFHVURJKSA-N 1 2 347.821 3.321 20 30 EGEDLO CCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001049280237 1347767303 /nfs/dbraw/zinc/76/73/03/1347767303.db2.gz SLQZNKVSAVYMNJ-QZTJIDSGSA-N 1 2 329.419 3.063 20 30 EGEDLO CCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001049280237 1347767305 /nfs/dbraw/zinc/76/73/05/1347767305.db2.gz SLQZNKVSAVYMNJ-QZTJIDSGSA-N 1 2 329.419 3.063 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ncc(CC)o1 ZINC001049637322 1347946850 /nfs/dbraw/zinc/94/68/50/1347946850.db2.gz XIIUFTFTXDZURH-HZPDHXFCSA-N 1 2 331.460 3.015 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ncc(CC)o1 ZINC001049637322 1347946853 /nfs/dbraw/zinc/94/68/53/1347946853.db2.gz XIIUFTFTXDZURH-HZPDHXFCSA-N 1 2 331.460 3.015 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1occc1Cl ZINC001049709388 1347985454 /nfs/dbraw/zinc/98/54/54/1347985454.db2.gz ILSGXYRNXQTPPJ-OLZOCXBDSA-N 1 2 329.227 3.364 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1occc1Cl ZINC001049709388 1347985456 /nfs/dbraw/zinc/98/54/56/1347985456.db2.gz ILSGXYRNXQTPPJ-OLZOCXBDSA-N 1 2 329.227 3.364 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1nc(C)c(C)s1 ZINC001049898755 1348099635 /nfs/dbraw/zinc/09/96/35/1348099635.db2.gz DFXBFPNBUBBAPR-UONOGXRCSA-N 1 2 339.892 3.191 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1nc(C)c(C)s1 ZINC001049898755 1348099637 /nfs/dbraw/zinc/09/96/37/1348099637.db2.gz DFXBFPNBUBBAPR-UONOGXRCSA-N 1 2 339.892 3.191 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cscc1C(F)F ZINC001050921143 1348373316 /nfs/dbraw/zinc/37/33/16/1348373316.db2.gz OUTDZEFBGMMCNV-GFCCVEGCSA-N 1 2 344.427 3.083 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cscc1C(F)F ZINC001050921143 1348373317 /nfs/dbraw/zinc/37/33/17/1348373317.db2.gz OUTDZEFBGMMCNV-GFCCVEGCSA-N 1 2 344.427 3.083 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)[C@H]3CC3(C)C)cccc2C1 ZINC001051285017 1348418562 /nfs/dbraw/zinc/41/85/62/1348418562.db2.gz UQUVZCUDFZNRKT-QGZVFWFLSA-N 1 2 332.875 3.460 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)[C@H]3CC3(C)C)cccc2C1 ZINC001051285017 1348418564 /nfs/dbraw/zinc/41/85/64/1348418564.db2.gz UQUVZCUDFZNRKT-QGZVFWFLSA-N 1 2 332.875 3.460 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C(C)(C)C1CCCCC1)CCO2 ZINC001053463676 1349037593 /nfs/dbraw/zinc/03/75/93/1349037593.db2.gz IKEHAQWHZMVOQO-UHFFFAOYSA-N 1 2 334.504 3.082 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cccc3ccsc31)CCO2 ZINC001053496555 1349047050 /nfs/dbraw/zinc/04/70/50/1349047050.db2.gz JBQSTPHYJBMGHD-UHFFFAOYSA-N 1 2 342.464 3.004 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cccc(C3CCC3)c1)CCO2 ZINC001053507794 1349050010 /nfs/dbraw/zinc/05/00/10/1349050010.db2.gz SNRTZADAOCTNDS-UHFFFAOYSA-N 1 2 340.467 3.057 20 30 EGEDLO C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1sccc1F ZINC001054039660 1349135303 /nfs/dbraw/zinc/13/53/03/1349135303.db2.gz FHDKPIGVFHEMRK-OAHLLOKOSA-N 1 2 330.428 3.230 20 30 EGEDLO C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1sccc1F ZINC001054039660 1349135307 /nfs/dbraw/zinc/13/53/07/1349135307.db2.gz FHDKPIGVFHEMRK-OAHLLOKOSA-N 1 2 330.428 3.230 20 30 EGEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccoc1CC ZINC001054040972 1349136142 /nfs/dbraw/zinc/13/61/42/1349136142.db2.gz HRHUNCYFVQIQHN-GOSISDBHSA-N 1 2 336.435 3.022 20 30 EGEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccoc1CC ZINC001054040972 1349136146 /nfs/dbraw/zinc/13/61/46/1349136146.db2.gz HRHUNCYFVQIQHN-GOSISDBHSA-N 1 2 336.435 3.022 20 30 EGEDLO C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1occ2c1CCC2 ZINC001054048219 1349138125 /nfs/dbraw/zinc/13/81/25/1349138125.db2.gz VYWNTEOODSZSNM-SFHVURJKSA-N 1 2 336.435 3.111 20 30 EGEDLO C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1occ2c1CCC2 ZINC001054048219 1349138129 /nfs/dbraw/zinc/13/81/29/1349138129.db2.gz VYWNTEOODSZSNM-SFHVURJKSA-N 1 2 336.435 3.111 20 30 EGEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001054053094 1349140384 /nfs/dbraw/zinc/14/03/84/1349140384.db2.gz MBBQTZBCKVDCNS-VWPQPMDRSA-N 1 2 336.479 3.133 20 30 EGEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001054053094 1349140386 /nfs/dbraw/zinc/14/03/86/1349140386.db2.gz MBBQTZBCKVDCNS-VWPQPMDRSA-N 1 2 336.479 3.133 20 30 EGEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CC(=C)Cl)C[C@H]2C)cc1 ZINC001079977870 1357447271 /nfs/dbraw/zinc/44/72/71/1357447271.db2.gz OQZXAEJZYUBSLC-CXAGYDPISA-N 1 2 334.847 3.054 20 30 EGEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+](CC(=C)Cl)C[C@H]2C)cc1 ZINC001079977870 1357447276 /nfs/dbraw/zinc/44/72/76/1357447276.db2.gz OQZXAEJZYUBSLC-CXAGYDPISA-N 1 2 334.847 3.054 20 30 EGEDLO C[C@H]1C[C@@H]1C(=O)NCc1ccc2c(c1)C[N@@H+](Cc1cccc(C#N)c1)C2 ZINC001054254507 1349249849 /nfs/dbraw/zinc/24/98/49/1349249849.db2.gz YXGRRBHTBOLLQP-BTYIYWSLSA-N 1 2 345.446 3.346 20 30 EGEDLO C[C@H]1C[C@@H]1C(=O)NCc1ccc2c(c1)C[N@H+](Cc1cccc(C#N)c1)C2 ZINC001054254507 1349249852 /nfs/dbraw/zinc/24/98/52/1349249852.db2.gz YXGRRBHTBOLLQP-BTYIYWSLSA-N 1 2 345.446 3.346 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cccc4[nH]ccc43)cc2C1 ZINC001054282603 1349284033 /nfs/dbraw/zinc/28/40/33/1349284033.db2.gz MWYFKGVRFCTLQS-UHFFFAOYSA-N 1 2 329.403 3.047 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cccc4[nH]ccc43)cc2C1 ZINC001054282603 1349284038 /nfs/dbraw/zinc/28/40/38/1349284038.db2.gz MWYFKGVRFCTLQS-UHFFFAOYSA-N 1 2 329.403 3.047 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@@H](N(C)c3cc(C)[nH+]c(C(C)C)n3)C2)C1 ZINC001057023675 1349977016 /nfs/dbraw/zinc/97/70/16/1349977016.db2.gz GDUHRTOKCPXLFN-MRXNPFEDSA-N 1 2 342.487 3.302 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccsc2I)C1 ZINC001233149389 1376575378 /nfs/dbraw/zinc/57/53/78/1376575378.db2.gz FZBNDRXMTPUQRK-SNVBAGLBSA-N 1 2 346.237 3.478 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](Cc2ccsc2I)C1 ZINC001233149389 1376575392 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ZINC001076485484 1356590427 /nfs/dbraw/zinc/59/04/27/1356590427.db2.gz GPVYTZXZZJGHEP-DZGCQCFKSA-N 1 2 325.239 3.239 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Oc3cccc(C)c3)[C@@H]2C1 ZINC001076540228 1356612634 /nfs/dbraw/zinc/61/26/34/1356612634.db2.gz DIRZQNWLNGZAAY-SOLBZPMBSA-N 1 2 348.874 3.048 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Oc3cccc(C)c3)[C@@H]2C1 ZINC001076540228 1356612637 /nfs/dbraw/zinc/61/26/37/1356612637.db2.gz DIRZQNWLNGZAAY-SOLBZPMBSA-N 1 2 348.874 3.048 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1(F)CCCCC1 ZINC001080720265 1357726132 /nfs/dbraw/zinc/72/61/32/1357726132.db2.gz OPJLBQUCFWUMNY-CRAIPNDOSA-N 1 2 343.446 3.167 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1(F)CCCCC1 ZINC001080720265 1357726137 /nfs/dbraw/zinc/72/61/37/1357726137.db2.gz OPJLBQUCFWUMNY-CRAIPNDOSA-N 1 2 343.446 3.167 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CSCCC ZINC001098927772 1363524573 /nfs/dbraw/zinc/52/45/73/1363524573.db2.gz PIVYYLSQTVYHOC-CQSZACIVSA-N 1 2 332.941 3.489 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CSCCC ZINC001098927772 1363524576 /nfs/dbraw/zinc/52/45/76/1363524576.db2.gz PIVYYLSQTVYHOC-CQSZACIVSA-N 1 2 332.941 3.489 20 30 EGEDLO COc1cc(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)ccc1F ZINC001183378830 1387305114 /nfs/dbraw/zinc/30/51/14/1387305114.db2.gz GDLNPWGQWFWNQW-UHFFFAOYSA-N 1 2 343.377 3.167 20 30 EGEDLO CCC(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084622826 1358259120 /nfs/dbraw/zinc/25/91/20/1358259120.db2.gz LHGLUJNONXDWAX-QZTJIDSGSA-N 1 2 325.456 3.027 20 30 EGEDLO CCC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084622826 1358259122 /nfs/dbraw/zinc/25/91/22/1358259122.db2.gz LHGLUJNONXDWAX-QZTJIDSGSA-N 1 2 325.456 3.027 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)c3ccccc3)[C@@H]2C1 ZINC001084812926 1358318334 /nfs/dbraw/zinc/31/83/34/1358318334.db2.gz FQUNZBGMFAPHOV-BMGDILEWSA-N 1 2 332.875 3.465 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)c3ccccc3)[C@@H]2C1 ZINC001084812926 1358318338 /nfs/dbraw/zinc/31/83/38/1358318338.db2.gz FQUNZBGMFAPHOV-BMGDILEWSA-N 1 2 332.875 3.465 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F)C(=O)C1CCCCC1 ZINC001085462169 1358516960 /nfs/dbraw/zinc/51/69/60/1358516960.db2.gz YHFUUICCEQKZFY-GOSISDBHSA-N 1 2 343.446 3.310 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1F)C(=O)C1CCCCC1 ZINC001085462169 1358516964 /nfs/dbraw/zinc/51/69/64/1358516964.db2.gz YHFUUICCEQKZFY-GOSISDBHSA-N 1 2 343.446 3.310 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@H]1CC=CCC1 ZINC001085480552 1358532277 /nfs/dbraw/zinc/53/22/77/1358532277.db2.gz OIUXWSVFAQEBHH-GJZGRUSLSA-N 1 2 329.469 3.009 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@H]1CC=CCC1 ZINC001085480552 1358532281 /nfs/dbraw/zinc/53/22/81/1358532281.db2.gz OIUXWSVFAQEBHH-GJZGRUSLSA-N 1 2 329.469 3.009 20 30 EGEDLO N#Cc1nc2ccc(NC(=O)[C@@H]3CC[N@@H+]3Cc3ccccc3)cc2s1 ZINC001183752933 1387342787 /nfs/dbraw/zinc/34/27/87/1387342787.db2.gz PBGBOOJBDJLQLG-INIZCTEOSA-N 1 2 348.431 3.381 20 30 EGEDLO N#Cc1nc2ccc(NC(=O)[C@@H]3CC[N@H+]3Cc3ccccc3)cc2s1 ZINC001183752933 1387342790 /nfs/dbraw/zinc/34/27/90/1387342790.db2.gz PBGBOOJBDJLQLG-INIZCTEOSA-N 1 2 348.431 3.381 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)C1CC(C)(C)C1 ZINC001085578053 1358607042 /nfs/dbraw/zinc/60/70/42/1358607042.db2.gz CFNRMTQLYDLMLV-QGZVFWFLSA-N 1 2 343.446 3.166 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)C1CC(C)(C)C1 ZINC001085578053 1358607045 /nfs/dbraw/zinc/60/70/45/1358607045.db2.gz CFNRMTQLYDLMLV-QGZVFWFLSA-N 1 2 343.446 3.166 20 30 EGEDLO C=CCOc1ccccc1C(=O)N(C)C[C@@H]1CC[N@@H+]1C/C=C\Cl ZINC001085678234 1358681820 /nfs/dbraw/zinc/68/18/20/1358681820.db2.gz DUQNWPTYJFUOMW-MLBQELRYSA-N 1 2 334.847 3.150 20 30 EGEDLO C=CCOc1ccccc1C(=O)N(C)C[C@@H]1CC[N@H+]1C/C=C\Cl ZINC001085678234 1358681824 /nfs/dbraw/zinc/68/18/24/1358681824.db2.gz DUQNWPTYJFUOMW-MLBQELRYSA-N 1 2 334.847 3.150 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@H]1CCCC1(C)C ZINC001085774184 1358746426 /nfs/dbraw/zinc/74/64/26/1358746426.db2.gz ZUZFAEIDIYRAGN-RBUKOAKNSA-N 1 2 339.483 3.417 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@H]1CCCC1(C)C ZINC001085774184 1358746430 /nfs/dbraw/zinc/74/64/30/1358746430.db2.gz ZUZFAEIDIYRAGN-RBUKOAKNSA-N 1 2 339.483 3.417 20 30 EGEDLO CN(C[C@H]1CC1(C)C)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183830666 1387355632 /nfs/dbraw/zinc/35/56/32/1387355632.db2.gz GOAWUUDQFZSCCO-RTBURBONSA-N 1 2 339.483 3.417 20 30 EGEDLO CN(C[C@H]1CC1(C)C)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183830666 1387355637 /nfs/dbraw/zinc/35/56/37/1387355637.db2.gz GOAWUUDQFZSCCO-RTBURBONSA-N 1 2 339.483 3.417 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1)C(=O)c1ccc(F)s1 ZINC001085997980 1358953517 /nfs/dbraw/zinc/95/35/17/1358953517.db2.gz KGYSNEUUTMCXBW-HNNXBMFYSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1)C(=O)c1ccc(F)s1 ZINC001085997980 1358953531 /nfs/dbraw/zinc/95/35/31/1358953531.db2.gz KGYSNEUUTMCXBW-HNNXBMFYSA-N 1 2 343.427 3.105 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3ncc(CC)o3)[C@@H]2CC)C1 ZINC001087714338 1359606058 /nfs/dbraw/zinc/60/60/58/1359606058.db2.gz HRHJGHUMNUXOAT-JKSUJKDBSA-N 1 2 331.460 3.062 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(CC)o3)[C@@H]2CC)C1 ZINC001087714338 1359606060 /nfs/dbraw/zinc/60/60/60/1359606060.db2.gz HRHJGHUMNUXOAT-JKSUJKDBSA-N 1 2 331.460 3.062 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nc(C3CC3)oc2C)[C@H]1CC ZINC001087779641 1359640180 /nfs/dbraw/zinc/64/01/80/1359640180.db2.gz PYWQDFBQICQANV-UONOGXRCSA-N 1 2 337.851 3.196 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nc(C3CC3)oc2C)[C@H]1CC ZINC001087779641 1359640182 /nfs/dbraw/zinc/64/01/82/1359640182.db2.gz PYWQDFBQICQANV-UONOGXRCSA-N 1 2 337.851 3.196 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2ccccc2F)CC[N@@H+]1Cc1ccccc1C#N ZINC001088447461 1359911015 /nfs/dbraw/zinc/91/10/15/1359911015.db2.gz KVSNIYXDKXUFQU-KUHUBIRLSA-N 1 2 337.398 3.090 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2ccccc2F)CC[N@H+]1Cc1ccccc1C#N ZINC001088447461 1359911017 /nfs/dbraw/zinc/91/10/17/1359911017.db2.gz KVSNIYXDKXUFQU-KUHUBIRLSA-N 1 2 337.398 3.090 20 30 EGEDLO Cc1csc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@@H]2C)c1 ZINC001088557072 1359971682 /nfs/dbraw/zinc/97/16/82/1359971682.db2.gz WAGMLOLJGDAABF-AEFFLSMTSA-N 1 2 338.476 3.301 20 30 EGEDLO Cc1csc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)[C@@H]2C)c1 ZINC001088557072 1359971689 /nfs/dbraw/zinc/97/16/89/1359971689.db2.gz WAGMLOLJGDAABF-AEFFLSMTSA-N 1 2 338.476 3.301 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(F)cc3ccncc32)[C@H]1C ZINC001088573995 1359977605 /nfs/dbraw/zinc/97/76/05/1359977605.db2.gz WTCCDGLSHVRBSS-PXAZEXFGSA-N 1 2 347.821 3.319 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(F)cc3ccncc32)[C@H]1C ZINC001088573995 1359977608 /nfs/dbraw/zinc/97/76/08/1359977608.db2.gz WTCCDGLSHVRBSS-PXAZEXFGSA-N 1 2 347.821 3.319 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(c3ccccc3)CCC2)[C@H]1C ZINC001088723172 1360022214 /nfs/dbraw/zinc/02/22/14/1360022214.db2.gz XRROPMNNHMLBNY-WBVHZDCISA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(c3ccccc3)CCC2)[C@H]1C ZINC001088723172 1360022219 /nfs/dbraw/zinc/02/22/19/1360022219.db2.gz XRROPMNNHMLBNY-WBVHZDCISA-N 1 2 332.875 3.440 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2coc3ccc(OC)cc32)[C@H]1C ZINC001088734055 1360024372 /nfs/dbraw/zinc/02/43/72/1360024372.db2.gz DGLFMCQLRNIPOI-WBMJQRKESA-N 1 2 348.830 3.387 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2coc3ccc(OC)cc32)[C@H]1C ZINC001088734055 1360024375 /nfs/dbraw/zinc/02/43/75/1360024375.db2.gz DGLFMCQLRNIPOI-WBMJQRKESA-N 1 2 348.830 3.387 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)[C@H]1C ZINC001088737917 1360025805 /nfs/dbraw/zinc/02/58/05/1360025805.db2.gz KLWOKKFATCXKFG-SYQHCUMBSA-N 1 2 343.309 3.156 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)[C@H]1C ZINC001088737917 1360025808 /nfs/dbraw/zinc/02/58/08/1360025808.db2.gz KLWOKKFATCXKFG-SYQHCUMBSA-N 1 2 343.309 3.156 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2CCC(=C)CC2)[C@H]1C ZINC001088835453 1360070186 /nfs/dbraw/zinc/07/01/86/1360070186.db2.gz XOZYADFFRVGNID-HIFRSBDPSA-N 1 2 341.293 3.220 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2CCC(=C)CC2)[C@H]1C ZINC001088835453 1360070188 /nfs/dbraw/zinc/07/01/88/1360070188.db2.gz XOZYADFFRVGNID-HIFRSBDPSA-N 1 2 341.293 3.220 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2occc2Cl)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088838921 1360073784 /nfs/dbraw/zinc/07/37/84/1360073784.db2.gz IJUDTZZRXMTUSC-YGRLFVJLSA-N 1 2 349.843 3.259 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)c2occc2Cl)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088838921 1360073787 /nfs/dbraw/zinc/07/37/87/1360073787.db2.gz IJUDTZZRXMTUSC-YGRLFVJLSA-N 1 2 349.843 3.259 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3cnccc3c2)[C@H]1C ZINC001088961635 1360117091 /nfs/dbraw/zinc/11/70/91/1360117091.db2.gz NQWJEAOKGHGPBB-DYVFJYSZSA-N 1 2 329.831 3.180 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3cnccc3c2)[C@H]1C ZINC001088961635 1360117094 /nfs/dbraw/zinc/11/70/94/1360117094.db2.gz NQWJEAOKGHGPBB-DYVFJYSZSA-N 1 2 329.831 3.180 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089147788 1360203506 /nfs/dbraw/zinc/20/35/06/1360203506.db2.gz UXFPRKUWGMDBQH-SUMWQHHRSA-N 1 2 344.503 3.478 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)N(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001089149988 1360205302 /nfs/dbraw/zinc/20/53/02/1360205302.db2.gz NHGMZWINXLAQJW-DOTOQJQBSA-N 1 2 342.487 3.492 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CC[C@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089163056 1360220318 /nfs/dbraw/zinc/22/03/18/1360220318.db2.gz XDPDJUGEMPXBBV-GUYCJALGSA-N 1 2 330.476 3.232 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H](C)[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001089183831 1360233923 /nfs/dbraw/zinc/23/39/23/1360233923.db2.gz NWFLJSABZAZLEZ-HOCLYGCPSA-N 1 2 330.476 3.284 20 30 EGEDLO C#CCC1(C(=O)N[C@H](C)C[C@H](C)Nc2cc[nH+]c(C)n2)CCCCC1 ZINC001089336981 1360350555 /nfs/dbraw/zinc/35/05/55/1360350555.db2.gz KGYYKCAGJRRVLF-JKSUJKDBSA-N 1 2 342.487 3.454 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccnc(C)c1 ZINC001089714547 1360616616 /nfs/dbraw/zinc/61/66/16/1360616616.db2.gz JYJAYLVRYNQASR-INIZCTEOSA-N 1 2 335.879 3.363 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccnc(C)c1 ZINC001089714547 1360616619 /nfs/dbraw/zinc/61/66/19/1360616619.db2.gz JYJAYLVRYNQASR-INIZCTEOSA-N 1 2 335.879 3.363 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](C)N(CC)c1nc(C)[nH+]c(C)c1C ZINC001089741242 1360644933 /nfs/dbraw/zinc/64/49/33/1360644933.db2.gz QXVYHJHVVIQBEU-BFUOFWGJSA-N 1 2 332.492 3.335 20 30 EGEDLO C=CCCC(=O)N1CCCC[C@@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001089784624 1360662553 /nfs/dbraw/zinc/66/25/53/1360662553.db2.gz PJFCXNXMERVWHR-QGZVFWFLSA-N 1 2 330.476 3.185 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001090805407 1360938578 /nfs/dbraw/zinc/93/85/78/1360938578.db2.gz MQGAGTDWZLHCEQ-BFYDXBDKSA-N 1 2 344.503 3.452 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NC[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001091391752 1361077315 /nfs/dbraw/zinc/07/73/15/1361077315.db2.gz LKEAPERVSXUNNT-JWDQPFGJSA-N 1 2 342.487 3.427 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)[C@@H]1C ZINC001092021114 1361275652 /nfs/dbraw/zinc/27/56/52/1361275652.db2.gz CJHDQTJEEOAXOD-CVEARBPZSA-N 1 2 330.476 3.348 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001092042931 1361280391 /nfs/dbraw/zinc/28/03/91/1361280391.db2.gz LBDJUJYKVNTBQZ-ZBFHGGJFSA-N 1 2 330.476 3.088 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)CC(C)(C)C1 ZINC001092086736 1361297424 /nfs/dbraw/zinc/29/74/24/1361297424.db2.gz RWAWFDUOWGMGFQ-UZLBHIALSA-N 1 2 344.503 3.499 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001092450380 1361386942 /nfs/dbraw/zinc/38/69/42/1361386942.db2.gz FQWTYBMCRJGUAE-CXAGYDPISA-N 1 2 344.503 3.193 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001092626412 1361425617 /nfs/dbraw/zinc/42/56/17/1361425617.db2.gz RJJCSTGZYKITAO-ZMSDIMECSA-N 1 2 330.476 3.284 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001092904636 1361483506 /nfs/dbraw/zinc/48/35/06/1361483506.db2.gz ITWAVCPRLXFBLR-QTXLCTLRSA-N 1 2 342.487 3.230 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001092911763 1361486002 /nfs/dbraw/zinc/48/60/02/1361486002.db2.gz KUIPIFJPDBISNB-YLAKUSLOSA-N 1 2 342.487 3.176 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C3C[C@H](C)C[C@@H](C)C3)CC2)C1 ZINC001093600014 1361654321 /nfs/dbraw/zinc/65/43/21/1361654321.db2.gz LDLCPKUDWLRKMB-IAGOWNOFSA-N 1 2 348.531 3.327 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095074536 1362004264 /nfs/dbraw/zinc/00/42/64/1362004264.db2.gz QAGUDYLRBKJXBH-CZUORRHYSA-N 1 2 328.460 3.278 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095074537 1362004293 /nfs/dbraw/zinc/00/42/93/1362004293.db2.gz QAGUDYLRBKJXBH-XJKSGUPXSA-N 1 2 328.460 3.278 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H](N(C)c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001095152638 1362034076 /nfs/dbraw/zinc/03/40/76/1362034076.db2.gz ZFGDXECDSCWMBY-INIZCTEOSA-N 1 2 330.476 3.302 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001095157580 1362036422 /nfs/dbraw/zinc/03/64/22/1362036422.db2.gz WEMCIALXJPTLMN-INIZCTEOSA-N 1 2 330.476 3.041 20 30 EGEDLO C=CCC1(C(=O)N2CCC(Nc3cc[nH+]c(C)n3)CC2)CCCC1 ZINC001095230799 1362059902 /nfs/dbraw/zinc/05/99/02/1362059902.db2.gz LUFNGACZKAHDHA-UHFFFAOYSA-N 1 2 328.460 3.324 20 30 EGEDLO C=CCCC(=O)N1CCC(CNc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001095254375 1362069677 /nfs/dbraw/zinc/06/96/77/1362069677.db2.gz VKNFJEGRPDSLRC-UHFFFAOYSA-N 1 2 342.487 3.281 20 30 EGEDLO C#CCCCC(=O)N1CCC(CNc2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001095260776 1362072009 /nfs/dbraw/zinc/07/20/09/1362072009.db2.gz PJGVTTBTTPVHGE-UHFFFAOYSA-N 1 2 342.487 3.362 20 30 EGEDLO C=CCC(C)(C)C(=O)NCC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095383900 1362123874 /nfs/dbraw/zinc/12/38/74/1362123874.db2.gz AIISGSSDUUHMFI-UHFFFAOYSA-N 1 2 344.503 3.337 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NC1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001095442887 1362142591 /nfs/dbraw/zinc/14/25/91/1362142591.db2.gz PYPFNQQCASRFPF-GOEBONIOSA-N 1 2 344.503 3.452 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NC1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095442998 1362142619 /nfs/dbraw/zinc/14/26/19/1362142619.db2.gz SWQKKBUXMDBKLW-UKRRQHHQSA-N 1 2 342.487 3.206 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(C)cccc1C)C2 ZINC001095481144 1362155061 /nfs/dbraw/zinc/15/50/61/1362155061.db2.gz VENPAHBZFIZYPC-NJAFHUGGSA-N 1 2 332.875 3.320 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(C)cccc1C)C2 ZINC001095481144 1362155063 /nfs/dbraw/zinc/15/50/63/1362155063.db2.gz VENPAHBZFIZYPC-NJAFHUGGSA-N 1 2 332.875 3.320 20 30 EGEDLO C=CC[C@@H](C(=O)NCCCN(C)c1cc[nH+]c(C)n1)c1ccccc1 ZINC001095568569 1362171693 /nfs/dbraw/zinc/17/16/93/1362171693.db2.gz XNBSVBMYTHWCIP-GOSISDBHSA-N 1 2 338.455 3.087 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(F)CCCC1)C2 ZINC001095655916 1362197041 /nfs/dbraw/zinc/19/70/41/1362197041.db2.gz ZGLGOOPLWBTLKQ-SQNIBIBYSA-N 1 2 341.430 3.062 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(F)CCCC1)C2 ZINC001095655916 1362197043 /nfs/dbraw/zinc/19/70/43/1362197043.db2.gz ZGLGOOPLWBTLKQ-SQNIBIBYSA-N 1 2 341.430 3.062 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCCN(c1nc(C)[nH+]c(C)c1C)C1CC1 ZINC001096054336 1362355365 /nfs/dbraw/zinc/35/53/65/1362355365.db2.gz KQLURROWAMZMJT-UHFFFAOYSA-N 1 2 344.503 3.479 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)C2)CCCC1 ZINC001096398045 1362487388 /nfs/dbraw/zinc/48/73/88/1362487388.db2.gz ALKSBGQLJYBXOZ-KRWDZBQOSA-N 1 2 342.487 3.233 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CCN(c3cc(C)[nH+]c(C4CC4)n3)C2)CCC1 ZINC001096479988 1362529723 /nfs/dbraw/zinc/52/97/23/1362529723.db2.gz MDVSYCVXMVCQNR-INIZCTEOSA-N 1 2 340.471 3.104 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC12CCN(c1cc[nH+]c(C)n1)CC2 ZINC001096524823 1362552553 /nfs/dbraw/zinc/55/25/53/1362552553.db2.gz CLIHTLAJTWBNGH-QGZVFWFLSA-N 1 2 340.471 3.029 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Cl)cn1CC)C2 ZINC001096556448 1362576471 /nfs/dbraw/zinc/57/64/71/1362576471.db2.gz FOWQWUAPJXWQSV-RDBSUJKOSA-N 1 2 342.270 3.249 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Cl)cn1CC)C2 ZINC001096556448 1362576473 /nfs/dbraw/zinc/57/64/73/1362576473.db2.gz FOWQWUAPJXWQSV-RDBSUJKOSA-N 1 2 342.270 3.249 20 30 EGEDLO CC(C)c1cc(N[C@H](CNC(=O)[C@H](C)C#N)C2CC2)nc(C(C)C)[nH+]1 ZINC001096598398 1362592349 /nfs/dbraw/zinc/59/23/49/1362592349.db2.gz NBEMHUOIWNSNSC-CZUORRHYSA-N 1 2 343.475 3.190 20 30 EGEDLO CC(C)C#CC(=O)N[C@H]1C[C@H](Nc2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC001097025529 1362814803 /nfs/dbraw/zinc/81/48/03/1362814803.db2.gz BEJKSCICBHKHSR-WKILWMFISA-N 1 2 342.487 3.442 20 30 EGEDLO C#CC[C@H](CC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001097193719 1362880621 /nfs/dbraw/zinc/88/06/21/1362880621.db2.gz IYTQWZUMJTXRCN-QRVBRYPASA-N 1 2 348.450 3.041 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097337817 1362940167 /nfs/dbraw/zinc/94/01/67/1362940167.db2.gz RSNIIBAOVBSBDE-MRXNPFEDSA-N 1 2 342.487 3.351 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CCCCN1c1nc(C)[nH+]c(C)c1C ZINC001097440793 1362991014 /nfs/dbraw/zinc/99/10/14/1362991014.db2.gz ZZIHVFQAIMHZOG-KRWDZBQOSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([NH2+]Cc2ncc(C(C)(C)C)o2)C1 ZINC001185064002 1387606050 /nfs/dbraw/zinc/60/60/50/1387606050.db2.gz JIFPTKAJXZDFLH-LSDHHAIUSA-N 1 2 333.476 3.265 20 30 EGEDLO C#CCCCCCC(=O)N1C[C@@H]2CC[C@H](Nc3cc[nH+]c(C)n3)[C@@H]2C1 ZINC001097604765 1363069625 /nfs/dbraw/zinc/06/96/25/1363069625.db2.gz QCDQSCAHQGZAMN-KSZLIROESA-N 1 2 340.471 3.018 20 30 EGEDLO C=CCC1(C(=O)N2C[C@@H]3CC[C@H](Nc4cc[nH+]c(C)n4)[C@@H]3C2)CCC1 ZINC001097605733 1363069948 /nfs/dbraw/zinc/06/99/48/1363069948.db2.gz CGZSAHBQCLLSBM-BBWFWOEESA-N 1 2 340.471 3.180 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3cc[nH]c31)C2 ZINC001097894129 1363154335 /nfs/dbraw/zinc/15/43/35/1363154335.db2.gz WVPCXWZFXXDMGL-BMFZPTHFSA-N 1 2 329.831 3.256 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3cc[nH]c31)C2 ZINC001097894129 1363154338 /nfs/dbraw/zinc/15/43/38/1363154338.db2.gz WVPCXWZFXXDMGL-BMFZPTHFSA-N 1 2 329.831 3.256 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001098195656 1363251920 /nfs/dbraw/zinc/25/19/20/1363251920.db2.gz KHNLLMLPEHWUPT-KBPBESRZSA-N 1 2 330.476 3.183 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001098568112 1363380544 /nfs/dbraw/zinc/38/05/44/1363380544.db2.gz KGHJUGACJRIZFI-KRWDZBQOSA-N 1 2 342.487 3.362 20 30 EGEDLO CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC001098844670 1363489441 /nfs/dbraw/zinc/48/94/41/1363489441.db2.gz KEYHQXMYKQEIQU-KRWDZBQOSA-N 1 2 331.435 3.214 20 30 EGEDLO CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1cc(F)ccc1C#N ZINC001098844670 1363489442 /nfs/dbraw/zinc/48/94/42/1363489442.db2.gz KEYHQXMYKQEIQU-KRWDZBQOSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C(Br)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)C ZINC001098905634 1363514577 /nfs/dbraw/zinc/51/45/77/1363514577.db2.gz PCVOWHIDXKAHTO-CYBMUJFWSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)C ZINC001098905634 1363514580 /nfs/dbraw/zinc/51/45/80/1363514580.db2.gz PCVOWHIDXKAHTO-CYBMUJFWSA-N 1 2 331.298 3.158 20 30 EGEDLO C=CCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nc(C)c(C)o1 ZINC001098949584 1363536087 /nfs/dbraw/zinc/53/60/87/1363536087.db2.gz XWISCMPHVKDHMC-MRXNPFEDSA-N 1 2 333.476 3.364 20 30 EGEDLO C=CCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nc(C)c(C)o1 ZINC001098949584 1363536090 /nfs/dbraw/zinc/53/60/90/1363536090.db2.gz XWISCMPHVKDHMC-MRXNPFEDSA-N 1 2 333.476 3.364 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccnc(Cl)c1 ZINC001098974814 1363549252 /nfs/dbraw/zinc/54/92/52/1363549252.db2.gz ACQTXIKMNKJBSD-UKRRQHHQSA-N 1 2 348.878 3.001 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccnc(Cl)c1 ZINC001098974814 1363549265 /nfs/dbraw/zinc/54/92/65/1363549265.db2.gz ACQTXIKMNKJBSD-UKRRQHHQSA-N 1 2 348.878 3.001 20 30 EGEDLO C=C(Br)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)/C(C)=C/C ZINC001099000520 1363563915 /nfs/dbraw/zinc/56/39/15/1363563915.db2.gz KXVULWCKGTXKOB-TZWLIRKLSA-N 1 2 343.309 3.468 20 30 EGEDLO C=C(Br)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)/C(C)=C/C ZINC001099000520 1363563920 /nfs/dbraw/zinc/56/39/20/1363563920.db2.gz KXVULWCKGTXKOB-TZWLIRKLSA-N 1 2 343.309 3.468 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nccn1C ZINC001099171202 1363669313 /nfs/dbraw/zinc/66/93/13/1363669313.db2.gz OJPDNSBTIMAGQY-MRXNPFEDSA-N 1 2 346.519 3.129 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nccn1C ZINC001099171202 1363669316 /nfs/dbraw/zinc/66/93/16/1363669316.db2.gz OJPDNSBTIMAGQY-MRXNPFEDSA-N 1 2 346.519 3.129 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ccon1 ZINC001099193419 1363684629 /nfs/dbraw/zinc/68/46/29/1363684629.db2.gz BHVCKXZWXNXUFV-WBVHZDCISA-N 1 2 333.476 3.384 20 30 EGEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ccon1 ZINC001099193419 1363684631 /nfs/dbraw/zinc/68/46/31/1363684631.db2.gz BHVCKXZWXNXUFV-WBVHZDCISA-N 1 2 333.476 3.384 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](OC)C(C)C ZINC001099209069 1363692964 /nfs/dbraw/zinc/69/29/64/1363692964.db2.gz VWFLORPLRGNFSS-GJZGRUSLSA-N 1 2 330.900 3.017 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](OC)C(C)C ZINC001099209069 1363692968 /nfs/dbraw/zinc/69/29/68/1363692968.db2.gz VWFLORPLRGNFSS-GJZGRUSLSA-N 1 2 330.900 3.017 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001100901191 1364322618 /nfs/dbraw/zinc/32/26/18/1364322618.db2.gz UBXUSDJEMBRPSU-JXFKEZNVSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CCC1(C(=O)NC[C@H]2CCCN2c2nc(C)[nH+]c(C)c2C)CCC1 ZINC001100904280 1364323982 /nfs/dbraw/zinc/32/39/82/1364323982.db2.gz NUKXLYYMXUBNAD-QGZVFWFLSA-N 1 2 342.487 3.233 20 30 EGEDLO CCCCCCCCC(=O)NC[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001100969658 1364352707 /nfs/dbraw/zinc/35/27/07/1364352707.db2.gz AGYLSGITMKKKRO-QGZVFWFLSA-N 1 2 332.492 3.478 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001101040082 1364385701 /nfs/dbraw/zinc/38/57/01/1364385701.db2.gz JAGICSPIWAJSSG-MRXNPFEDSA-N 1 2 344.503 3.453 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001101041762 1364386613 /nfs/dbraw/zinc/38/66/13/1364386613.db2.gz MDUVWVVRZKLRFM-HOCLYGCPSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001101042295 1364387200 /nfs/dbraw/zinc/38/72/00/1364387200.db2.gz YGAHLXYVLNOHOA-WBVHZDCISA-N 1 2 344.503 3.453 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCN(c1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001101426941 1364558839 /nfs/dbraw/zinc/55/88/39/1364558839.db2.gz FSYDFEUWUGQIKM-ZBFHGGJFSA-N 1 2 344.503 3.452 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(CC)[nH+]c(C)n1 ZINC001102204442 1364932428 /nfs/dbraw/zinc/93/24/28/1364932428.db2.gz JXYURBZFSSNITK-JCGIZDLHSA-N 1 2 342.487 3.129 20 30 EGEDLO C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]c(C2CC2)n1 ZINC001102205832 1364933015 /nfs/dbraw/zinc/93/30/15/1364933015.db2.gz XZYCDBBNIILBDP-CALCHBBNSA-N 1 2 340.471 3.198 20 30 EGEDLO C=CC(C)(C)CC(=O)NCC[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102357140 1365020731 /nfs/dbraw/zinc/02/07/31/1365020731.db2.gz NERNLBKKSFXJME-KRWDZBQOSA-N 1 2 344.503 3.337 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]c(C(C)C)n1 ZINC001102569822 1365119482 /nfs/dbraw/zinc/11/94/82/1365119482.db2.gz FTWWLHBZPBAMOV-ULQDDVLXSA-N 1 2 342.487 3.300 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([NH2+]Cc3ncc(C(C)(C)C)o3)C2)CCC1 ZINC001185468708 1387722787 /nfs/dbraw/zinc/72/27/87/1387722787.db2.gz KRPUNETYLJWLJD-OAHLLOKOSA-N 1 2 345.487 3.409 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102884192 1365272752 /nfs/dbraw/zinc/27/27/52/1365272752.db2.gz MNNJTKKZBZVVRH-YLJYHZDGSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C[C@H](CC)CC(=O)NCC[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001102942849 1365307617 /nfs/dbraw/zinc/30/76/17/1365307617.db2.gz GNZZBQLEYWKOKF-SJORKVTESA-N 1 2 330.476 3.110 20 30 EGEDLO C=CC[C@H](C(=O)NC[C@H](CC)Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC001103110649 1365385266 /nfs/dbraw/zinc/38/52/66/1365385266.db2.gz ACTUHXSUXQLEMK-ROUUACIJSA-N 1 2 338.455 3.452 20 30 EGEDLO C=CC1(CC(=O)NC[C@H](C)CNc2cc[nH+]c(C)n2)CCCCC1 ZINC001104018004 1365877004 /nfs/dbraw/zinc/87/70/04/1365877004.db2.gz ZNOAWMRYUXCSHU-OAHLLOKOSA-N 1 2 330.476 3.476 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104161386 1365931871 /nfs/dbraw/zinc/93/18/71/1365931871.db2.gz PCPYGYFZVQDEJR-HUUCEWRRSA-N 1 2 344.503 3.430 20 30 EGEDLO C#CCCCC(=O)NCC1(Nc2cc(C)[nH+]c(C3CC3)n2)CCCC1 ZINC001104387634 1365998591 /nfs/dbraw/zinc/99/85/91/1365998591.db2.gz IYGJDAPXZBPXOD-UHFFFAOYSA-N 1 2 340.471 3.307 20 30 EGEDLO C=C(C)[C@H](CC(=O)N[C@H](CNc1cc[nH+]c(C)n1)CC(C)C)OCC ZINC001104967097 1366246393 /nfs/dbraw/zinc/24/63/93/1366246393.db2.gz ZRUPLNONCSAUJQ-IRXDYDNUSA-N 1 2 348.491 3.099 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC001105037995 1366287577 /nfs/dbraw/zinc/28/75/77/1366287577.db2.gz GFKUGNDCWWKGAU-WMLDXEAASA-N 1 2 342.487 3.279 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC(OC2C[NH+](CC=C(C)C)C2)CC1 ZINC001105719663 1366583422 /nfs/dbraw/zinc/58/34/22/1366583422.db2.gz NXELGKMHLFAHLB-IRXDYDNUSA-N 1 2 334.504 3.103 20 30 EGEDLO CC(C)c1cc(NCC[C@@H](C)NC(=O)[C@@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001106268094 1366639220 /nfs/dbraw/zinc/63/92/20/1366639220.db2.gz CCGALXNINVJLKA-UONOGXRCSA-N 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1366994494 /nfs/dbraw/zinc/99/44/94/1366994494.db2.gz XITFXASFBWMPJJ-GXTWGEPZSA-N 1 2 331.298 3.110 20 30 EGEDLO CC#CCCCC(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001109207236 1367001784 /nfs/dbraw/zinc/00/17/84/1367001784.db2.gz CFFJDCUWQILUBF-INIZCTEOSA-N 1 2 330.476 3.043 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001109224592 1367012976 /nfs/dbraw/zinc/01/29/76/1367012976.db2.gz ACBFJYWXIKZQPS-HNAYVOBHSA-N 1 2 332.492 3.452 20 30 EGEDLO C#CCC1(C(=O)N[C@H]2CCCC[C@@H]2CNc2cc[nH+]c(C)n2)CCC1 ZINC001109346642 1367074146 /nfs/dbraw/zinc/07/41/46/1367074146.db2.gz KXBQOFUUNMOWLY-SJORKVTESA-N 1 2 340.471 3.066 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N(C)CCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001109386958 1367098738 /nfs/dbraw/zinc/09/87/38/1367098738.db2.gz SYKTZMKSYUVYCY-INIZCTEOSA-N 1 2 348.491 3.150 20 30 EGEDLO C#CCC1(C(=O)N(C)CCCNc2cc(C)[nH+]c(C(C)C)n2)CCC1 ZINC001109537243 1367186305 /nfs/dbraw/zinc/18/63/05/1367186305.db2.gz YZKIHQKFAKLMIE-UHFFFAOYSA-N 1 2 342.487 3.362 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)cs1 ZINC001109604261 1367227215 /nfs/dbraw/zinc/22/72/15/1367227215.db2.gz ARVLYKAPMHSSBS-IKGGRYGDSA-N 1 2 345.512 3.257 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001109604261 1367227218 /nfs/dbraw/zinc/22/72/18/1367227218.db2.gz ARVLYKAPMHSSBS-IKGGRYGDSA-N 1 2 345.512 3.257 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001108025946 1367246029 /nfs/dbraw/zinc/24/60/29/1367246029.db2.gz ZBBNZKTYAVPOIE-BEFAXECRSA-N 1 2 348.491 3.054 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001190428631 1367262717 /nfs/dbraw/zinc/26/27/17/1367262717.db2.gz MQVMNJMBLBTBNG-GOSISDBHSA-N 1 2 329.419 3.086 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001190428631 1367262802 /nfs/dbraw/zinc/26/28/02/1367262802.db2.gz MQVMNJMBLBTBNG-GOSISDBHSA-N 1 2 329.419 3.086 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc(C)oc2C)CCC1 ZINC001109683362 1367280796 /nfs/dbraw/zinc/28/07/96/1367280796.db2.gz IFKNLYJRYOWWBX-RYRKJORJSA-N 1 2 343.471 3.259 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc(C)oc2C)CCC1 ZINC001109683362 1367280801 /nfs/dbraw/zinc/28/08/01/1367280801.db2.gz IFKNLYJRYOWWBX-RYRKJORJSA-N 1 2 343.471 3.259 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2oc3ccccc3c2Cl)C1 ZINC001108339867 1367398918 /nfs/dbraw/zinc/39/89/18/1367398918.db2.gz ZCWALLPHEZLRNQ-SFHVURJKSA-N 1 2 348.830 3.093 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2oc3ccccc3c2Cl)C1 ZINC001108339867 1367398922 /nfs/dbraw/zinc/39/89/22/1367398922.db2.gz ZCWALLPHEZLRNQ-SFHVURJKSA-N 1 2 348.830 3.093 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCCCCCCC)C1 ZINC001108362356 1367411243 /nfs/dbraw/zinc/41/12/43/1367411243.db2.gz NHNCAYOCEUDFII-FQEVSTJZSA-N 1 2 336.520 3.358 20 30 EGEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CCCCCCCCC)C1 ZINC001108362356 1367411248 /nfs/dbraw/zinc/41/12/48/1367411248.db2.gz NHNCAYOCEUDFII-FQEVSTJZSA-N 1 2 336.520 3.358 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc3cccc(Cl)c3o2)C1 ZINC001108449178 1367461775 /nfs/dbraw/zinc/46/17/75/1367461775.db2.gz OHWBJRWLASSZJB-GOSISDBHSA-N 1 2 348.830 3.093 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc3cccc(Cl)c3o2)C1 ZINC001108449178 1367461776 /nfs/dbraw/zinc/46/17/76/1367461776.db2.gz OHWBJRWLASSZJB-GOSISDBHSA-N 1 2 348.830 3.093 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@@H](CC)C1 ZINC001110035330 1367473928 /nfs/dbraw/zinc/47/39/28/1367473928.db2.gz FEYUPMDJQRYQFT-HOTGVXAUSA-N 1 2 330.476 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CCC(C)CC1)C2 ZINC001110194906 1367559138 /nfs/dbraw/zinc/55/91/38/1367559138.db2.gz HSUYMEZSZCCGLK-XNCKGVHHSA-N 1 2 340.895 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CCC(C)CC1)C2 ZINC001110194906 1367559141 /nfs/dbraw/zinc/55/91/41/1367559141.db2.gz HSUYMEZSZCCGLK-XNCKGVHHSA-N 1 2 340.895 3.056 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]([N@H+](C)Cc2nc(C)sc2C)C1 ZINC001191755713 1367578270 /nfs/dbraw/zinc/57/82/70/1367578270.db2.gz ZCRTUFTTXGWSGA-KRWDZBQOSA-N 1 2 347.528 3.376 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2nc(C)sc2C)C1 ZINC001191755713 1367578274 /nfs/dbraw/zinc/57/82/74/1367578274.db2.gz ZCRTUFTTXGWSGA-KRWDZBQOSA-N 1 2 347.528 3.376 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]([N@H+](C)CC=C(Cl)Cl)C1 ZINC001191763014 1367580016 /nfs/dbraw/zinc/58/00/16/1367580016.db2.gz HVSMBWNLHYDDIG-AWEZNQCLSA-N 1 2 331.287 3.422 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]([N@@H+](C)CC=C(Cl)Cl)C1 ZINC001191763014 1367580019 /nfs/dbraw/zinc/58/00/19/1367580019.db2.gz HVSMBWNLHYDDIG-AWEZNQCLSA-N 1 2 331.287 3.422 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncoc2C(C)C)C1 ZINC001191867817 1367620201 /nfs/dbraw/zinc/62/02/01/1367620201.db2.gz JBLMINQPJNPCSD-JKSUJKDBSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncoc2C(C)C)C1 ZINC001191867817 1367620204 /nfs/dbraw/zinc/62/02/04/1367620204.db2.gz JBLMINQPJNPCSD-JKSUJKDBSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2nc(C)c(C)s2)C1 ZINC001191890822 1367626939 /nfs/dbraw/zinc/62/69/39/1367626939.db2.gz URFVGYZPBJJHDZ-HOTGVXAUSA-N 1 2 335.517 3.395 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2nc(C)c(C)s2)C1 ZINC001191890822 1367626943 /nfs/dbraw/zinc/62/69/43/1367626943.db2.gz URFVGYZPBJJHDZ-HOTGVXAUSA-N 1 2 335.517 3.395 20 30 EGEDLO CCC(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110307982 1367628599 /nfs/dbraw/zinc/62/85/99/1367628599.db2.gz ZYCKXLJXRRRJCE-QRQLOZEOSA-N 1 2 343.446 3.355 20 30 EGEDLO CCC(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110307982 1367628607 /nfs/dbraw/zinc/62/86/07/1367628607.db2.gz ZYCKXLJXRRRJCE-QRQLOZEOSA-N 1 2 343.446 3.355 20 30 EGEDLO CC/C=C(/C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110345537 1367656146 /nfs/dbraw/zinc/65/61/46/1367656146.db2.gz VBHRORFMWDWKTM-DTAWEAPWSA-N 1 2 341.430 3.275 20 30 EGEDLO CC/C=C(/C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110345537 1367656151 /nfs/dbraw/zinc/65/61/51/1367656151.db2.gz VBHRORFMWDWKTM-DTAWEAPWSA-N 1 2 341.430 3.275 20 30 EGEDLO C=CC[C@@H](C(=O)N[C@H](C)CN(C)c1cc[nH+]c(C)n1)c1ccccc1 ZINC001108979652 1367697744 /nfs/dbraw/zinc/69/77/44/1367697744.db2.gz QQCLBFJVKGURCU-CRAIPNDOSA-N 1 2 338.455 3.086 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3ncc(C)s3)C2)CCC1 ZINC001192218888 1367721869 /nfs/dbraw/zinc/72/18/69/1367721869.db2.gz XUXIIBGNTPWGMC-OAHLLOKOSA-N 1 2 333.501 3.231 20 30 EGEDLO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ncc(C)s3)C2)CCC1 ZINC001192218888 1367721873 /nfs/dbraw/zinc/72/18/73/1367721873.db2.gz XUXIIBGNTPWGMC-OAHLLOKOSA-N 1 2 333.501 3.231 20 30 EGEDLO CCCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3cc(F)ccc3C#N)C2)CC1 ZINC001192258443 1367733175 /nfs/dbraw/zinc/73/31/75/1367733175.db2.gz WYXFDVPCMCDTCP-SFHVURJKSA-N 1 2 343.446 3.310 20 30 EGEDLO CCCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3cc(F)ccc3C#N)C2)CC1 ZINC001192258443 1367733179 /nfs/dbraw/zinc/73/31/79/1367733179.db2.gz WYXFDVPCMCDTCP-SFHVURJKSA-N 1 2 343.446 3.310 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nc(C)[nH+]c(C)c1C ZINC001110449298 1367734099 /nfs/dbraw/zinc/73/40/99/1367734099.db2.gz FNYXFEJRBPOZCP-HDICACEKSA-N 1 2 342.487 3.328 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@]2(CCN(c3nc(C)[nH+]c(C)c3C)C2)C1 ZINC001110476135 1367764823 /nfs/dbraw/zinc/76/48/23/1367764823.db2.gz DCANXOPAELUWKY-HXUWFJFHSA-N 1 2 342.487 3.187 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@]2(CCN(c3nc(C)[nH+]c(C)c3C)C2)C1 ZINC001110479727 1367769494 /nfs/dbraw/zinc/76/94/94/1367769494.db2.gz OVRNDXITQDSCRY-HXUWFJFHSA-N 1 2 342.487 3.187 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC2CC2)C3)c1 ZINC001109104949 1367772858 /nfs/dbraw/zinc/77/28/58/1367772858.db2.gz VKPFHNHYKVZODA-NEWSRXKRSA-N 1 2 341.430 3.109 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC2CC2)C3)c1 ZINC001109104949 1367772864 /nfs/dbraw/zinc/77/28/64/1367772864.db2.gz VKPFHNHYKVZODA-NEWSRXKRSA-N 1 2 341.430 3.109 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H](C)CN(C)c1nc(C)[nH+]c(C)c1C ZINC001109107990 1367774735 /nfs/dbraw/zinc/77/47/35/1367774735.db2.gz KPZWUDHNIBRYJX-JTQLQIEISA-N 1 2 338.883 3.121 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)CCCC(C)C)C1 ZINC001192489920 1367794667 /nfs/dbraw/zinc/79/46/67/1367794667.db2.gz MBMGINLTVKXZEK-CQSZACIVSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)CCCC(C)C)C1 ZINC001192489920 1367794671 /nfs/dbraw/zinc/79/46/71/1367794671.db2.gz MBMGINLTVKXZEK-CQSZACIVSA-N 1 2 331.298 3.254 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001110595577 1367854912 /nfs/dbraw/zinc/85/49/12/1367854912.db2.gz XCQBKTIMZXHFIS-LMMKCTJWSA-N 1 2 343.471 3.281 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001110595577 1367854918 /nfs/dbraw/zinc/85/49/18/1367854918.db2.gz XCQBKTIMZXHFIS-LMMKCTJWSA-N 1 2 343.471 3.281 20 30 EGEDLO C#CCN(C(=O)CCCC)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001110618241 1367873266 /nfs/dbraw/zinc/87/32/66/1367873266.db2.gz QNKKEQVTTBIAHX-UHFFFAOYSA-N 1 2 342.487 3.023 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cc(CC)[nH+]c(C)n1 ZINC001110695229 1367933554 /nfs/dbraw/zinc/93/35/54/1367933554.db2.gz IQIUDWVNFQMABY-MSOLQXFVSA-N 1 2 342.487 3.273 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C(C)(C)C ZINC001110720702 1367948099 /nfs/dbraw/zinc/94/80/99/1367948099.db2.gz PUIZGIPTOGUTQO-PIKADFDJSA-N 1 2 339.483 3.462 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C(C)(C)C ZINC001110720702 1367948103 /nfs/dbraw/zinc/94/81/03/1367948103.db2.gz PUIZGIPTOGUTQO-PIKADFDJSA-N 1 2 339.483 3.462 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)cs1 ZINC001110887692 1368061415 /nfs/dbraw/zinc/06/14/15/1368061415.db2.gz TXMSQVGHERGZOM-KFWWJZLASA-N 1 2 333.501 3.275 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001110887692 1368061420 /nfs/dbraw/zinc/06/14/20/1368061420.db2.gz TXMSQVGHERGZOM-KFWWJZLASA-N 1 2 333.501 3.275 20 30 EGEDLO C[NH+]1CCC(c2ccc(NC(=O)c3cccc(C#N)c3O)cc2)CC1 ZINC001193647109 1368083010 /nfs/dbraw/zinc/08/30/10/1368083010.db2.gz WAMADQYJTYRGAY-UHFFFAOYSA-N 1 2 335.407 3.325 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccncc1Cl ZINC001110925398 1368097263 /nfs/dbraw/zinc/09/72/63/1368097263.db2.gz XWYCHQLMNBTFOO-NXHRZFHOSA-N 1 2 345.874 3.150 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccncc1Cl ZINC001110925398 1368097268 /nfs/dbraw/zinc/09/72/68/1368097268.db2.gz XWYCHQLMNBTFOO-NXHRZFHOSA-N 1 2 345.874 3.150 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)cs1 ZINC001110934947 1368104926 /nfs/dbraw/zinc/10/49/26/1368104926.db2.gz SAKNWMKSKCPDQW-JJXSEGSLSA-N 1 2 333.501 3.275 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001110934947 1368104932 /nfs/dbraw/zinc/10/49/32/1368104932.db2.gz SAKNWMKSKCPDQW-JJXSEGSLSA-N 1 2 333.501 3.275 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccncc1Cl ZINC001110964654 1368127525 /nfs/dbraw/zinc/12/75/25/1368127525.db2.gz VEXQKLJUWKWUBG-OIISXLGYSA-N 1 2 333.863 3.313 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccncc1Cl ZINC001110964654 1368127526 /nfs/dbraw/zinc/12/75/26/1368127526.db2.gz VEXQKLJUWKWUBG-OIISXLGYSA-N 1 2 333.863 3.313 20 30 EGEDLO C#CCCCC(=O)N1CC[C@@H]([C@H](C)Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001111215648 1368194428 /nfs/dbraw/zinc/19/44/28/1368194428.db2.gz HCNNAHHTYRWWMZ-DLBZAZTESA-N 1 2 342.487 3.361 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)c2ccc(OCC3CC3)c(Cl)c2)CC1 ZINC001194200176 1368206952 /nfs/dbraw/zinc/20/69/52/1368206952.db2.gz ZYQDCWFRJKBCCI-UHFFFAOYSA-N 1 2 334.847 3.073 20 30 EGEDLO C#CCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3nccs3)C2)CCCCC1 ZINC001194381800 1368249636 /nfs/dbraw/zinc/24/96/36/1368249636.db2.gz OCRRXOJDUNYSFP-MRXNPFEDSA-N 1 2 345.512 3.150 20 30 EGEDLO C#CCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3nccs3)C2)CCCCC1 ZINC001194381800 1368249637 /nfs/dbraw/zinc/24/96/37/1368249637.db2.gz OCRRXOJDUNYSFP-MRXNPFEDSA-N 1 2 345.512 3.150 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001111620614 1368380548 /nfs/dbraw/zinc/38/05/48/1368380548.db2.gz YYPILOKBSAMECU-QGZVFWFLSA-N 1 2 328.460 3.019 20 30 EGEDLO C=CCCC(=O)N1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC001195191619 1368397898 /nfs/dbraw/zinc/39/78/98/1368397898.db2.gz NAORIMOCWCZOAX-UHFFFAOYSA-N 1 2 330.859 3.192 20 30 EGEDLO C=CCCC(=O)N1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC001195191619 1368397900 /nfs/dbraw/zinc/39/79/00/1368397900.db2.gz NAORIMOCWCZOAX-UHFFFAOYSA-N 1 2 330.859 3.192 20 30 EGEDLO CCCC[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001195717967 1368477251 /nfs/dbraw/zinc/47/72/51/1368477251.db2.gz UJTGKYAWVINANK-QGZVFWFLSA-N 1 2 327.472 3.419 20 30 EGEDLO CCCC[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001195717967 1368477255 /nfs/dbraw/zinc/47/72/55/1368477255.db2.gz UJTGKYAWVINANK-QGZVFWFLSA-N 1 2 327.472 3.419 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[N@@H+]([C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001195754605 1368482763 /nfs/dbraw/zinc/48/27/63/1368482763.db2.gz PZCNWXDVGCFGMF-OAHLLOKOSA-N 1 2 334.410 3.220 20 30 EGEDLO CC(C)C#CC(=O)N1CCC[N@H+]([C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001195754605 1368482765 /nfs/dbraw/zinc/48/27/65/1368482765.db2.gz PZCNWXDVGCFGMF-OAHLLOKOSA-N 1 2 334.410 3.220 20 30 EGEDLO N#Cc1ccccc1NC(=S)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC001196293639 1368585285 /nfs/dbraw/zinc/58/52/85/1368585285.db2.gz HHXIOOLVNDZWAE-UHFFFAOYSA-N 1 2 338.436 3.193 20 30 EGEDLO N#Cc1ccc(Cl)cc1S(=O)(=O)Nc1cc[nH+]c(C2CC2)c1 ZINC001196651591 1368656356 /nfs/dbraw/zinc/65/63/56/1368656356.db2.gz GDGDAGDBVSIHLP-UHFFFAOYSA-N 1 2 333.800 3.285 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N(C)CCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001112155236 1368686501 /nfs/dbraw/zinc/68/65/01/1368686501.db2.gz OQBLTLYFLBSBJM-GDBMZVCRSA-N 1 2 344.503 3.405 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001196852688 1368698860 /nfs/dbraw/zinc/69/88/60/1368698860.db2.gz CECZIPDWXWTHKY-JKSUJKDBSA-N 1 2 343.446 3.190 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001196852688 1368698862 /nfs/dbraw/zinc/69/88/62/1368698862.db2.gz CECZIPDWXWTHKY-JKSUJKDBSA-N 1 2 343.446 3.190 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@H+](Cc2cc(C3CC3)no2)CC1 ZINC001196890354 1368707551 /nfs/dbraw/zinc/70/75/51/1368707551.db2.gz OOCHRTURGWTVBD-HNNXBMFYSA-N 1 2 331.460 3.189 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@@H+](Cc2cc(C3CC3)no2)CC1 ZINC001196890354 1368707555 /nfs/dbraw/zinc/70/75/55/1368707555.db2.gz OOCHRTURGWTVBD-HNNXBMFYSA-N 1 2 331.460 3.189 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+](Cc2cc(F)ccc2OC)CC1 ZINC001196900671 1368710059 /nfs/dbraw/zinc/71/00/59/1368710059.db2.gz GUTHHENUNLFTFK-MRXNPFEDSA-N 1 2 348.462 3.471 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@H+](Cc2cc(F)ccc2OC)CC1 ZINC001196900671 1368710063 /nfs/dbraw/zinc/71/00/63/1368710063.db2.gz GUTHHENUNLFTFK-MRXNPFEDSA-N 1 2 348.462 3.471 20 30 EGEDLO CCCC(C)(C)C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC001196993556 1368727976 /nfs/dbraw/zinc/72/79/76/1368727976.db2.gz PDLUIYKFEJSPRA-UHFFFAOYSA-N 1 2 326.484 3.399 20 30 EGEDLO CCCC(C)(C)C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001196993556 1368727980 /nfs/dbraw/zinc/72/79/80/1368727980.db2.gz PDLUIYKFEJSPRA-UHFFFAOYSA-N 1 2 326.484 3.399 20 30 EGEDLO C=CCCCC(=O)N1C[C@H](C)[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001112336697 1368774434 /nfs/dbraw/zinc/77/44/34/1368774434.db2.gz SDOYIHITMAPAAF-XJKSGUPXSA-N 1 2 328.460 3.278 20 30 EGEDLO CCC[C@H](CC)C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001197597666 1368850072 /nfs/dbraw/zinc/85/00/72/1368850072.db2.gz SDTHQLFHUXLCMI-KRWDZBQOSA-N 1 2 327.472 3.419 20 30 EGEDLO CCC[C@H](CC)C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001197597666 1368850075 /nfs/dbraw/zinc/85/00/75/1368850075.db2.gz SDTHQLFHUXLCMI-KRWDZBQOSA-N 1 2 327.472 3.419 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@H](C)C1 ZINC001112473693 1368873079 /nfs/dbraw/zinc/87/30/79/1368873079.db2.gz ICAFTPGLFIMCBL-RDTXWAMCSA-N 1 2 342.487 3.069 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@H](C)C1 ZINC001112473691 1368873098 /nfs/dbraw/zinc/87/30/98/1368873098.db2.gz ICAFTPGLFIMCBL-KDOFPFPSSA-N 1 2 342.487 3.069 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H](C)C1 ZINC001112499270 1368896642 /nfs/dbraw/zinc/89/66/42/1368896642.db2.gz HQNARSROMYKMLK-GUYCJALGSA-N 1 2 344.503 3.478 20 30 EGEDLO C=C[C@H](CC)CC(=O)N(C)[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001112633400 1368963460 /nfs/dbraw/zinc/96/34/60/1368963460.db2.gz KFLZQNFUWIULIF-IAGOWNOFSA-N 1 2 330.476 3.205 20 30 EGEDLO C#CCCCCC(=O)N1CC[NH+](Cc2cccc(OCCC)c2)CC1 ZINC001112773907 1368994522 /nfs/dbraw/zinc/99/45/22/1368994522.db2.gz AQYBRLXMRHSCSD-UHFFFAOYSA-N 1 2 342.483 3.313 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H]1CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001112783118 1369000504 /nfs/dbraw/zinc/00/05/04/1369000504.db2.gz MZWRIQGKVKPNDH-INIZCTEOSA-N 1 2 330.476 3.302 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001112807785 1369019117 /nfs/dbraw/zinc/01/91/17/1369019117.db2.gz OOGSHTVWQAYZBG-KBXCAEBGSA-N 1 2 344.503 3.431 20 30 EGEDLO C#CCCCC(=O)N1CC[NH+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC001112809033 1369020180 /nfs/dbraw/zinc/02/01/80/1369020180.db2.gz XCQGMQISSJPCTR-GOSISDBHSA-N 1 2 330.859 3.275 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@@H]([C@H]2CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001112811687 1369024202 /nfs/dbraw/zinc/02/42/02/1369024202.db2.gz UKKATHFBCYADMU-MSOLQXFVSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CCCC(=O)NC[C@@H]([NH2+]Cc1cncs1)c1ccccc1OC ZINC001198596366 1369068667 /nfs/dbraw/zinc/06/86/67/1369068667.db2.gz QLBDURAEUBYUSN-MRXNPFEDSA-N 1 2 345.468 3.065 20 30 EGEDLO C=CCOCC[NH+]1CCN(C(=O)c2csc3cc(C)ccc23)CC1 ZINC001112887832 1369071120 /nfs/dbraw/zinc/07/11/20/1369071120.db2.gz AXHMUIVGCDSYBS-UHFFFAOYSA-N 1 2 344.480 3.170 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H](F)C(C)C)c1ccccc1OC ZINC001198843592 1369128197 /nfs/dbraw/zinc/12/81/97/1369128197.db2.gz UFFJJYSXNWCZBJ-GOEBONIOSA-N 1 2 342.842 3.189 20 30 EGEDLO Cc1cc(N[C@@H](C)[C@H](C)NC(=O)C#CC(C)(C)C)nc(C2CC2)[nH+]1 ZINC001113003632 1369131240 /nfs/dbraw/zinc/13/12/40/1369131240.db2.gz DUQVXAPKBVUFKZ-KBPBESRZSA-N 1 2 328.460 3.017 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC[NH+](CCOc2cccc(CC)c2)CC1 ZINC001113229604 1369277253 /nfs/dbraw/zinc/27/72/53/1369277253.db2.gz MWDUCQUCHYAYSK-QZTJIDSGSA-N 1 2 344.499 3.230 20 30 EGEDLO CC#CCCCC(=O)N1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC001113232084 1369279946 /nfs/dbraw/zinc/27/99/46/1369279946.db2.gz CUEKYBZVGJIHIE-IBGZPJMESA-N 1 2 328.431 3.151 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC001113248402 1369290554 /nfs/dbraw/zinc/29/05/54/1369290554.db2.gz YKILGBJNGZQFEB-KBPBESRZSA-N 1 2 333.303 3.317 20 30 EGEDLO C=CCCOCC(=O)N1CC[NH+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC001113709458 1369579756 /nfs/dbraw/zinc/57/97/56/1369579756.db2.gz RQCSIIULHCHKFO-GOSISDBHSA-N 1 2 348.874 3.064 20 30 EGEDLO C=CCO[C@H](C)C(=O)N1CC[NH+]([C@H](CC)c2ccc(F)cc2)CC1 ZINC001113713330 1369581498 /nfs/dbraw/zinc/58/14/98/1369581498.db2.gz ORSZQBWLSMJFDW-CRAIPNDOSA-N 1 2 334.435 3.012 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001113852130 1369633974 /nfs/dbraw/zinc/63/39/74/1369633974.db2.gz WSHXZVQUASSOAA-KUHUBIRLSA-N 1 2 330.476 3.206 20 30 EGEDLO Cc1cc(N[C@@H](CCN(C)C(=O)[C@H](C)C#N)C(C)C)nc(C(C)C)[nH+]1 ZINC001114084176 1369724803 /nfs/dbraw/zinc/72/48/03/1369724803.db2.gz HPKYEXWUOOYONG-ZBFHGGJFSA-N 1 2 345.491 3.353 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1[C@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@H]21 ZINC001114585538 1369992141 /nfs/dbraw/zinc/99/21/41/1369992141.db2.gz FDVLJPQQSNDEKV-OSYLJGHBSA-N 1 2 342.487 3.063 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@@H]2C1 ZINC001114653861 1370007509 /nfs/dbraw/zinc/00/75/09/1370007509.db2.gz LNRRLDNLXYPOMM-OKZBNKHCSA-N 1 2 342.487 3.089 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H]2CN(c3cc[nH+]c(C)n3)C[C@H]2C1 ZINC001114660696 1370012547 /nfs/dbraw/zinc/01/25/47/1370012547.db2.gz PTYPKINRXKIIHB-BRWVUGGUSA-N 1 2 342.487 3.108 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001114810919 1370093233 /nfs/dbraw/zinc/09/32/33/1370093233.db2.gz MZFLTJCKXHMDCC-SHTZXODSSA-N 1 2 330.476 3.427 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@@H]([NH2+]CC(F)(F)C(F)F)C23CCC3)C1 ZINC001203376640 1370105476 /nfs/dbraw/zinc/10/54/76/1370105476.db2.gz XVXOZZDEFGNTOF-VXGBXAGGSA-N 1 2 348.384 3.260 20 30 EGEDLO C=CCCC(=O)N[C@@H](C)CCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001114882078 1370127744 /nfs/dbraw/zinc/12/77/44/1370127744.db2.gz ZOSQUVGXOWEWQG-AWEZNQCLSA-N 1 2 330.476 3.327 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC001114898759 1370137042 /nfs/dbraw/zinc/13/70/42/1370137042.db2.gz GIKWBHPGMNMNMT-QLPKVWCKSA-N 1 2 347.528 3.244 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC001114898759 1370137045 /nfs/dbraw/zinc/13/70/45/1370137045.db2.gz GIKWBHPGMNMNMT-QLPKVWCKSA-N 1 2 347.528 3.244 20 30 EGEDLO C#CCCCC(=O)N[C@H](C)CCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001114917624 1370148685 /nfs/dbraw/zinc/14/86/85/1370148685.db2.gz ITLSEXHYJLRGEW-CQSZACIVSA-N 1 2 328.460 3.163 20 30 EGEDLO CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001203762352 1370254488 /nfs/dbraw/zinc/25/44/88/1370254488.db2.gz FDMZOWKLTXDUKJ-KRWDZBQOSA-N 1 2 329.444 3.390 20 30 EGEDLO CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001203762352 1370254493 /nfs/dbraw/zinc/25/44/93/1370254493.db2.gz FDMZOWKLTXDUKJ-KRWDZBQOSA-N 1 2 329.444 3.390 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC(N(C)c2nc(C)[nH+]c(C)c2C)CC1 ZINC001115153112 1370315408 /nfs/dbraw/zinc/31/54/08/1370315408.db2.gz WFQRWNIVLBFHDB-KRWDZBQOSA-N 1 2 344.503 3.431 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC(N(C)c2nc(C)[nH+]c(C)c2C)CC1 ZINC001115153427 1370315590 /nfs/dbraw/zinc/31/55/90/1370315590.db2.gz GVOMLKOLRAQNFC-KGLIPLIRSA-N 1 2 344.503 3.287 20 30 EGEDLO C=CCCC(=O)NCC1([NH2+]Cc2noc(CCCC)n2)CCCCC1 ZINC001115441731 1370454167 /nfs/dbraw/zinc/45/41/67/1370454167.db2.gz PMTUHJXVTGPHNP-UHFFFAOYSA-N 1 2 348.491 3.287 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nnc(C)o2)C1 ZINC001187341264 1388097516 /nfs/dbraw/zinc/09/75/16/1388097516.db2.gz PYAQRHRBTNLTPK-GOEBONIOSA-N 1 2 336.480 3.380 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)C[C@H]1C ZINC001206544781 1371088513 /nfs/dbraw/zinc/08/85/13/1371088513.db2.gz MPDFGWRKDUMSPG-QLFBSQMISA-N 1 2 333.476 3.436 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)C[C@H]1C ZINC001206544781 1371088518 /nfs/dbraw/zinc/08/85/18/1371088518.db2.gz MPDFGWRKDUMSPG-QLFBSQMISA-N 1 2 333.476 3.436 20 30 EGEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2)C[C@H]1C ZINC001206659109 1371124541 /nfs/dbraw/zinc/12/45/41/1371124541.db2.gz CXUGTBVKDOXRNE-UEKVPHQBSA-N 1 2 340.254 3.090 20 30 EGEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2)C[C@H]1C ZINC001206659109 1371124543 /nfs/dbraw/zinc/12/45/43/1371124543.db2.gz CXUGTBVKDOXRNE-UEKVPHQBSA-N 1 2 340.254 3.090 20 30 EGEDLO CC#CCCCC(=O)N(C)C[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001120477225 1371589587 /nfs/dbraw/zinc/58/95/87/1371589587.db2.gz PYVIQTSUSPYARS-INIZCTEOSA-N 1 2 330.476 3.361 20 30 EGEDLO CCCCCCC/C=C/C[N@@H+]1CCCn2nnc(CNC(C)=O)c2C1 ZINC001208118800 1371601757 /nfs/dbraw/zinc/60/17/57/1371601757.db2.gz ONZGGOUNLDNMRV-MDZDMXLPSA-N 1 2 347.507 3.037 20 30 EGEDLO CCCCCCC/C=C/C[N@H+]1CCCn2nnc(CNC(C)=O)c2C1 ZINC001208118800 1371601762 /nfs/dbraw/zinc/60/17/62/1371601762.db2.gz ONZGGOUNLDNMRV-MDZDMXLPSA-N 1 2 347.507 3.037 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2nc3c(o2)CCCC3)C[C@H]1C ZINC001208390844 1371749301 /nfs/dbraw/zinc/74/93/01/1371749301.db2.gz DRAGUMGYDZIUIZ-ZMSDIMECSA-N 1 2 345.487 3.092 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2nc3c(o2)CCCC3)C[C@H]1C ZINC001208390844 1371749304 /nfs/dbraw/zinc/74/93/04/1371749304.db2.gz DRAGUMGYDZIUIZ-ZMSDIMECSA-N 1 2 345.487 3.092 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001208395782 1371752952 /nfs/dbraw/zinc/75/29/52/1371752952.db2.gz FUDSTKKLAUAQIJ-SOLBZPMBSA-N 1 2 332.492 3.003 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001208395782 1371752956 /nfs/dbraw/zinc/75/29/56/1371752956.db2.gz FUDSTKKLAUAQIJ-SOLBZPMBSA-N 1 2 332.492 3.003 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CCC)C(C)C)C1 ZINC001209028291 1371978204 /nfs/dbraw/zinc/97/82/04/1371978204.db2.gz GCSFTRJEXWDMLF-BPLDGKMQSA-N 1 2 345.325 3.404 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CCC)C(C)C)C1 ZINC001209028291 1371978207 /nfs/dbraw/zinc/97/82/07/1371978207.db2.gz GCSFTRJEXWDMLF-BPLDGKMQSA-N 1 2 345.325 3.404 20 30 EGEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC(CC(C)C)CC1 ZINC001121620391 1372028262 /nfs/dbraw/zinc/02/82/62/1372028262.db2.gz NNMASZKXKIQTAN-UHFFFAOYSA-N 1 2 342.491 3.051 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[C@H]([NH2+]Cc2nc(CCCC)no2)C1 ZINC001209194980 1372034270 /nfs/dbraw/zinc/03/42/70/1372034270.db2.gz SOEPBUHIAUPHAB-CVEARBPZSA-N 1 2 348.491 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(CCOCC)CCCC2)C1 ZINC001209740540 1372181177 /nfs/dbraw/zinc/18/11/77/1372181177.db2.gz GAWJDGVHECAQIB-GDBMZVCRSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(CCOCC)CCCC2)C1 ZINC001209740540 1372181182 /nfs/dbraw/zinc/18/11/82/1372181182.db2.gz GAWJDGVHECAQIB-GDBMZVCRSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@H](C2CC2)C1 ZINC001122536756 1372268436 /nfs/dbraw/zinc/26/84/36/1372268436.db2.gz MCZQRSOZYOZQJV-IRXDYDNUSA-N 1 2 329.492 3.247 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H](C2CC2)C1 ZINC001122536756 1372268438 /nfs/dbraw/zinc/26/84/38/1372268438.db2.gz MCZQRSOZYOZQJV-IRXDYDNUSA-N 1 2 329.492 3.247 20 30 EGEDLO N#C[C@H]1C[NH2+]CCN1Cc1c(Cl)cc(Br)cc1Cl ZINC001210123176 1372276050 /nfs/dbraw/zinc/27/60/50/1372276050.db2.gz ZYIKYIJUBACMGH-VIFPVBQESA-N 1 2 349.059 3.053 20 30 EGEDLO Cc1ccc(C#N)cc1Nc1cc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c(C)n1 ZINC001210495076 1372366085 /nfs/dbraw/zinc/36/60/85/1372366085.db2.gz DKWMBKKOSKKDBE-OKILXGFUSA-N 1 2 337.427 3.322 20 30 EGEDLO Cc1cc(N[C@@H]2C[C@H](C)N(C(=O)C#CC(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC001123201860 1372396194 /nfs/dbraw/zinc/39/61/94/1372396194.db2.gz GNMZHYSPQKTAIR-JKSUJKDBSA-N 1 2 342.487 3.359 20 30 EGEDLO CC#CCCCC(=O)N1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C[C@@H]1C ZINC001123309852 1372421156 /nfs/dbraw/zinc/42/11/56/1372421156.db2.gz QTMULWSWEKEULV-RDJZCZTQSA-N 1 2 340.471 3.257 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001123655554 1372544393 /nfs/dbraw/zinc/54/43/93/1372544393.db2.gz YFDWUIHRLCPAOE-WBVHZDCISA-N 1 2 344.503 3.478 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)[C@H]1C ZINC001123661994 1372547349 /nfs/dbraw/zinc/54/73/49/1372547349.db2.gz OCORNRBJQPAMCJ-DOTOQJQBSA-N 1 2 342.487 3.492 20 30 EGEDLO Cc1cc(NC[C@H]2CC[C@H](NC(=O)C#CC3CC3)C2)nc(C(C)C)[nH+]1 ZINC001123793083 1372590398 /nfs/dbraw/zinc/59/03/98/1372590398.db2.gz AYZGBAVOBMWZAP-IRXDYDNUSA-N 1 2 340.471 3.019 20 30 EGEDLO C=CCC(CC=C)C(=O)N1C[C@H](Nc2cc[nH+]c(C)n2)C(C)(C)C1 ZINC001123979360 1372645105 /nfs/dbraw/zinc/64/51/05/1372645105.db2.gz IOEUOWFVBAEWNC-INIZCTEOSA-N 1 2 328.460 3.202 20 30 EGEDLO N#Cc1ccc(Nc2ccc(C[NH+]3CC(O)C3)cc2)cc1C(F)(F)F ZINC001212668368 1372749777 /nfs/dbraw/zinc/74/97/77/1372749777.db2.gz VKNIPKXUBAOHMI-UHFFFAOYSA-N 1 2 347.340 3.497 20 30 EGEDLO C=CCOCC(=O)N[C@H](CNc1cc(C)[nH+]c(C(C)C)n1)C(C)(C)C ZINC001125828208 1372866359 /nfs/dbraw/zinc/86/63/59/1372866359.db2.gz OLEMYPGMQKKACB-OAHLLOKOSA-N 1 2 348.491 3.054 20 30 EGEDLO C=C(C)CCC(=O)N(C)C1CC(Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001127009357 1373067529 /nfs/dbraw/zinc/06/75/29/1373067529.db2.gz BBTPISOKKSHSNO-UHFFFAOYSA-N 1 2 342.487 3.421 20 30 EGEDLO C[C@@H]1CN(c2ccc(Nc3cc(C#N)ccc3F)c[nH+]2)C[C@H](C)O1 ZINC001214592995 1373086530 /nfs/dbraw/zinc/08/65/30/1373086530.db2.gz YFBKDUJTJXQZHV-BETUJISGSA-N 1 2 326.375 3.450 20 30 EGEDLO C=CC(C)(C)C(=O)N(C)CCOCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001127439668 1373127264 /nfs/dbraw/zinc/12/72/64/1373127264.db2.gz YVNJROJZYORNLE-UHFFFAOYSA-N 1 2 348.491 3.008 20 30 EGEDLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc(OC)c(C#N)c1 ZINC001214998737 1373153872 /nfs/dbraw/zinc/15/38/72/1373153872.db2.gz BVSGLKCJNBLBIO-UHFFFAOYSA-N 1 2 349.394 3.462 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001127736695 1373171222 /nfs/dbraw/zinc/17/12/22/1373171222.db2.gz RBPKVXHPIBCPOT-AWEZNQCLSA-N 1 2 342.487 3.257 20 30 EGEDLO COc1ccc(C[NH+]2CCOCC2)cc1Nc1ccsc1C#N ZINC001215547072 1373211185 /nfs/dbraw/zinc/21/11/85/1373211185.db2.gz IVIONOQQZZAVBH-UHFFFAOYSA-N 1 2 329.425 3.204 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)CC(C)C)c2C1 ZINC001128183061 1373230766 /nfs/dbraw/zinc/23/07/66/1373230766.db2.gz NLOYEZZXNLLQRI-UHFFFAOYSA-N 1 2 332.492 3.107 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)CC(C)C)c2C1 ZINC001128183061 1373230769 /nfs/dbraw/zinc/23/07/69/1373230769.db2.gz NLOYEZZXNLLQRI-UHFFFAOYSA-N 1 2 332.492 3.107 20 30 EGEDLO C=CCCC(=O)NCc1cnn2c1C[N@H+]([C@@H](C)c1ccccc1)CC2 ZINC001128251202 1373240825 /nfs/dbraw/zinc/24/08/25/1373240825.db2.gz UCZIDONOEZEGBM-INIZCTEOSA-N 1 2 338.455 3.042 20 30 EGEDLO C=CCCC(=O)NCc1cnn2c1C[N@@H+]([C@@H](C)c1ccccc1)CC2 ZINC001128251202 1373240827 /nfs/dbraw/zinc/24/08/27/1373240827.db2.gz UCZIDONOEZEGBM-INIZCTEOSA-N 1 2 338.455 3.042 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)CCC[C@@H](C)CCC)c2C1 ZINC001128372931 1373258196 /nfs/dbraw/zinc/25/81/96/1373258196.db2.gz XKNZLAWHZYJEHW-KRWDZBQOSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)CCC[C@@H](C)CCC)c2C1 ZINC001128372931 1373258203 /nfs/dbraw/zinc/25/82/03/1373258203.db2.gz XKNZLAWHZYJEHW-KRWDZBQOSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@]3(C)CCC[C@H]3CC)c2C1 ZINC001128392802 1373260783 /nfs/dbraw/zinc/26/07/83/1373260783.db2.gz UOPXHDQWSRPJEE-YLJYHZDGSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@]3(C)CCC[C@H]3CC)c2C1 ZINC001128392802 1373260785 /nfs/dbraw/zinc/26/07/85/1373260785.db2.gz UOPXHDQWSRPJEE-YLJYHZDGSA-N 1 2 344.503 3.107 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C[C@H](CC)CCCC)c2C1 ZINC001128416722 1373264399 /nfs/dbraw/zinc/26/43/99/1373264399.db2.gz MMKZXRARJNPBBO-QGZVFWFLSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C[C@H](CC)CCCC)c2C1 ZINC001128416722 1373264402 /nfs/dbraw/zinc/26/44/02/1373264402.db2.gz MMKZXRARJNPBBO-QGZVFWFLSA-N 1 2 346.519 3.498 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCc1cnn2c1C[N@H+](CC/C=C\CC)CC2 ZINC001128448514 1373269161 /nfs/dbraw/zinc/26/91/61/1373269161.db2.gz PMBSIPJJJCROPA-IIAQQRLMSA-N 1 2 344.503 3.129 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCc1cnn2c1C[N@@H+](CC/C=C\CC)CC2 ZINC001128448514 1373269166 /nfs/dbraw/zinc/26/91/66/1373269166.db2.gz PMBSIPJJJCROPA-IIAQQRLMSA-N 1 2 344.503 3.129 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCc1cnn2c1C[N@H+](CC/C=C/CC)CC2 ZINC001128448517 1373269309 /nfs/dbraw/zinc/26/93/09/1373269309.db2.gz PMBSIPJJJCROPA-UAEOLWBESA-N 1 2 344.503 3.129 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCc1cnn2c1C[N@@H+](CC/C=C/CC)CC2 ZINC001128448517 1373269311 /nfs/dbraw/zinc/26/93/11/1373269311.db2.gz PMBSIPJJJCROPA-UAEOLWBESA-N 1 2 344.503 3.129 20 30 EGEDLO COc1ccc(C#N)c(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)c1 ZINC001216664652 1373328341 /nfs/dbraw/zinc/32/83/41/1373328341.db2.gz VOCOMOOOPJOPEU-UHFFFAOYSA-N 1 2 343.346 3.470 20 30 EGEDLO Cc1cc(C#N)cc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)n1 ZINC001129379174 1373377572 /nfs/dbraw/zinc/37/75/72/1373377572.db2.gz ZQKCBUMKQBHMLE-INIZCTEOSA-N 1 2 328.803 3.157 20 30 EGEDLO C=CCCC[N@@H+]1Cc2cnn(C3CCN(C(=O)[C@@H](C)CC)CC3)c2C1 ZINC001130160847 1373465912 /nfs/dbraw/zinc/46/59/12/1373465912.db2.gz FPNDKPWWITUSEA-INIZCTEOSA-N 1 2 344.503 3.375 20 30 EGEDLO C=CCCC[N@H+]1Cc2cnn(C3CCN(C(=O)[C@@H](C)CC)CC3)c2C1 ZINC001130160847 1373465913 /nfs/dbraw/zinc/46/59/13/1373465913.db2.gz FPNDKPWWITUSEA-INIZCTEOSA-N 1 2 344.503 3.375 20 30 EGEDLO C=C(C)CCC(=O)N1CCC(n2ncc3c2C[N@H+](CC(C)C)C3)CC1 ZINC001130164942 1373467259 /nfs/dbraw/zinc/46/72/59/1373467259.db2.gz WLSAKNWALVYDLA-UHFFFAOYSA-N 1 2 344.503 3.375 20 30 EGEDLO C=C(C)CCC(=O)N1CCC(n2ncc3c2C[N@@H+](CC(C)C)C3)CC1 ZINC001130164942 1373467261 /nfs/dbraw/zinc/46/72/61/1373467261.db2.gz WLSAKNWALVYDLA-UHFFFAOYSA-N 1 2 344.503 3.375 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@@H](C)O[C@@]2(CC[N@H+](CC(=C)Cl)C2)C1 ZINC001131660971 1373748680 /nfs/dbraw/zinc/74/86/80/1373748680.db2.gz IDJQUGKGUDCECG-CRAIPNDOSA-N 1 2 340.895 3.033 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@@H](C)O[C@@]2(CC[N@@H+](CC(=C)Cl)C2)C1 ZINC001131660971 1373748692 /nfs/dbraw/zinc/74/86/92/1373748692.db2.gz IDJQUGKGUDCECG-CRAIPNDOSA-N 1 2 340.895 3.033 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)C1(CCC)CC1)C[C@@H](C)O2 ZINC001131681909 1373760561 /nfs/dbraw/zinc/76/05/61/1373760561.db2.gz KCHCNFYCPRXXDE-CRAIPNDOSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1(CCC)CC1)C[C@@H](C)O2 ZINC001131681909 1373760571 /nfs/dbraw/zinc/76/05/71/1373760571.db2.gz KCHCNFYCPRXXDE-CRAIPNDOSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)CCC(C)C)CC[C@@H]1C ZINC001131788906 1373806860 /nfs/dbraw/zinc/80/68/60/1373806860.db2.gz YXSHDYKCROWURA-KBPBESRZSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)CCC(C)C)CC[C@@H]1C ZINC001131788906 1373806866 /nfs/dbraw/zinc/80/68/66/1373806866.db2.gz YXSHDYKCROWURA-KBPBESRZSA-N 1 2 331.298 3.300 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2nc(C)sc2C)C1 ZINC001131972016 1375077436 /nfs/dbraw/zinc/07/74/36/1375077436.db2.gz OPOZVRGKEVQHPV-WMLDXEAASA-N 1 2 347.528 3.423 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2nc(C)sc2C)C1 ZINC001131972016 1375077442 /nfs/dbraw/zinc/07/74/42/1375077442.db2.gz OPOZVRGKEVQHPV-WMLDXEAASA-N 1 2 347.528 3.423 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1cccc(Cl)n1 ZINC001132034486 1375109918 /nfs/dbraw/zinc/10/99/18/1375109918.db2.gz RWVQDYWABUTCRX-GDBMZVCRSA-N 1 2 347.890 3.254 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1cccc(Cl)n1 ZINC001132034486 1375109920 /nfs/dbraw/zinc/10/99/20/1375109920.db2.gz RWVQDYWABUTCRX-GDBMZVCRSA-N 1 2 347.890 3.254 20 30 EGEDLO C=CCCOCCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=C)Cl)C1 ZINC001132037854 1375111160 /nfs/dbraw/zinc/11/11/60/1375111160.db2.gz IZWUFRGFBWOJCK-SJORKVTESA-N 1 2 342.911 3.471 20 30 EGEDLO C=CCCOCCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=C)Cl)C1 ZINC001132037854 1375111161 /nfs/dbraw/zinc/11/11/61/1375111161.db2.gz IZWUFRGFBWOJCK-SJORKVTESA-N 1 2 342.911 3.471 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001132064016 1375127232 /nfs/dbraw/zinc/12/72/32/1375127232.db2.gz CNSZEBVQJWHMDC-HZPDHXFCSA-N 1 2 345.487 3.379 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2noc3c2CCCC3)C1 ZINC001132064016 1375127236 /nfs/dbraw/zinc/12/72/36/1375127236.db2.gz CNSZEBVQJWHMDC-HZPDHXFCSA-N 1 2 345.487 3.379 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001132064017 1375127578 /nfs/dbraw/zinc/12/75/78/1375127578.db2.gz CNSZEBVQJWHMDC-JKSUJKDBSA-N 1 2 345.487 3.379 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2noc3c2CCCC3)C1 ZINC001132064017 1375127581 /nfs/dbraw/zinc/12/75/81/1375127581.db2.gz CNSZEBVQJWHMDC-JKSUJKDBSA-N 1 2 345.487 3.379 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])cc2F)C1 ZINC001225942996 1375177938 /nfs/dbraw/zinc/17/79/38/1375177938.db2.gz VWYAAJNUTMDGQV-INIZCTEOSA-N 1 2 341.342 3.259 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])cc2F)C1 ZINC001225942996 1375177940 /nfs/dbraw/zinc/17/79/40/1375177940.db2.gz VWYAAJNUTMDGQV-INIZCTEOSA-N 1 2 341.342 3.259 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001132217639 1375214373 /nfs/dbraw/zinc/21/43/73/1375214373.db2.gz FDKYNHWLOYMLJG-HUUCEWRRSA-N 1 2 345.487 3.235 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2noc3c2CCCC3)C1 ZINC001132217639 1375214375 /nfs/dbraw/zinc/21/43/75/1375214375.db2.gz FDKYNHWLOYMLJG-HUUCEWRRSA-N 1 2 345.487 3.235 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2nc(C)sc2C)C1 ZINC001132235012 1375229227 /nfs/dbraw/zinc/22/92/27/1375229227.db2.gz HUKGGMURYIWFSJ-YOEHRIQHSA-N 1 2 347.528 3.423 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2nc(C)sc2C)C1 ZINC001132235012 1375229228 /nfs/dbraw/zinc/22/92/28/1375229228.db2.gz HUKGGMURYIWFSJ-YOEHRIQHSA-N 1 2 347.528 3.423 20 30 EGEDLO CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001132274552 1375259687 /nfs/dbraw/zinc/25/96/87/1375259687.db2.gz WMAZIDCQCJQANJ-WMLDXEAASA-N 1 2 343.446 3.357 20 30 EGEDLO CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001132274552 1375259690 /nfs/dbraw/zinc/25/96/90/1375259690.db2.gz WMAZIDCQCJQANJ-WMLDXEAASA-N 1 2 343.446 3.357 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3ccn(CC)n3)C2)CCC1 ZINC001132282552 1375264936 /nfs/dbraw/zinc/26/49/36/1375264936.db2.gz KTOYDRUBJDFGQG-SJORKVTESA-N 1 2 344.503 3.119 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3ccn(CC)n3)C2)CCC1 ZINC001132282552 1375264943 /nfs/dbraw/zinc/26/49/43/1375264943.db2.gz KTOYDRUBJDFGQG-SJORKVTESA-N 1 2 344.503 3.119 20 30 EGEDLO C#C[C@@H](CC(C)C)Oc1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001226565520 1375283482 /nfs/dbraw/zinc/28/34/82/1375283482.db2.gz PWAVRNLCRLUNII-SFHVURJKSA-N 1 2 335.451 3.462 20 30 EGEDLO C#C[C@@H](CC(C)C)Oc1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001226565520 1375283485 /nfs/dbraw/zinc/28/34/85/1375283485.db2.gz PWAVRNLCRLUNII-SFHVURJKSA-N 1 2 335.451 3.462 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCN(C)c2ccccc2)CC[C@@H]1C ZINC001132365608 1375331030 /nfs/dbraw/zinc/33/10/30/1375331030.db2.gz MXMCCNWBCFZXCH-IRXDYDNUSA-N 1 2 349.906 3.235 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCN(C)c2ccccc2)CC[C@@H]1C ZINC001132365608 1375331040 /nfs/dbraw/zinc/33/10/40/1375331040.db2.gz MXMCCNWBCFZXCH-IRXDYDNUSA-N 1 2 349.906 3.235 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H](C)CCCC)CC1 ZINC001227193028 1375405535 /nfs/dbraw/zinc/40/55/35/1375405535.db2.gz YJCQYOJWNQHYBA-GFCCVEGCSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC1CC[NH+]([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC001228597547 1375610200 /nfs/dbraw/zinc/61/02/00/1375610200.db2.gz SJGBTQRPKWLXOQ-ZDUSSCGKSA-N 1 2 346.475 3.191 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001228748957 1375661773 /nfs/dbraw/zinc/66/17/73/1375661773.db2.gz OTMQKBZEIVXYSY-KBPBESRZSA-N 1 2 331.460 3.091 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001228809811 1375684164 /nfs/dbraw/zinc/68/41/64/1375684164.db2.gz LWIJCWSDYFTQAU-HNNXBMFYSA-N 1 2 343.446 3.380 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC1CC[NH+]([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC001228809004 1375684232 /nfs/dbraw/zinc/68/42/32/1375684232.db2.gz CPKORBIALPCRGN-CABCVRRESA-N 1 2 348.491 3.437 20 30 EGEDLO C=CCC1(C(=O)NC2CC[NH+]([C@H](C)c3nc(CC)no3)CC2)CCC1 ZINC001229025351 1375743611 /nfs/dbraw/zinc/74/36/11/1375743611.db2.gz YQRBLEPIRCQTLC-CQSZACIVSA-N 1 2 346.475 3.020 20 30 EGEDLO COc1ccc2nc(O[C@H]3CC[N@H+](Cc4ccccc4C#N)C3)[nH]c2c1 ZINC001229728881 1375882046 /nfs/dbraw/zinc/88/20/46/1375882046.db2.gz FTZIYMOYPALADG-KRWDZBQOSA-N 1 2 348.406 3.096 20 30 EGEDLO COc1ccc2nc(O[C@H]3CC[N@@H+](Cc4ccccc4C#N)C3)[nH]c2c1 ZINC001229728881 1375882049 /nfs/dbraw/zinc/88/20/49/1375882049.db2.gz FTZIYMOYPALADG-KRWDZBQOSA-N 1 2 348.406 3.096 20 30 EGEDLO CC(C)C[C@H](C)C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001229768124 1375889497 /nfs/dbraw/zinc/88/94/97/1375889497.db2.gz BZSAWNNOXYIDII-HNNXBMFYSA-N 1 2 345.462 3.460 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3csc(CC)n3)C[C@H]21 ZINC001188908976 1388407876 /nfs/dbraw/zinc/40/78/76/1388407876.db2.gz LYAQUBVKGFQIMG-YQQAZPJKSA-N 1 2 347.528 3.341 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3csc(CC)n3)C[C@H]21 ZINC001188908976 1388407878 /nfs/dbraw/zinc/40/78/78/1388407878.db2.gz LYAQUBVKGFQIMG-YQQAZPJKSA-N 1 2 347.528 3.341 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)C=C1CCCCC1 ZINC001231041210 1376197544 /nfs/dbraw/zinc/19/75/44/1376197544.db2.gz CGYVDYJKNMDPIP-NRFANRHFSA-N 1 2 336.479 3.461 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)C=C1CCCCC1 ZINC001231041210 1376197553 /nfs/dbraw/zinc/19/75/53/1376197553.db2.gz CGYVDYJKNMDPIP-NRFANRHFSA-N 1 2 336.479 3.461 20 30 EGEDLO Cn1cnc2c1C[N@H+](Cc1ccccc1C#Cc1ccccc1)CC2 ZINC001231579063 1376270307 /nfs/dbraw/zinc/27/03/07/1376270307.db2.gz YPGYCJQDAPVQST-UHFFFAOYSA-N 1 2 327.431 3.378 20 30 EGEDLO Cn1cnc2c1C[N@@H+](Cc1ccccc1C#Cc1ccccc1)CC2 ZINC001231579063 1376270309 /nfs/dbraw/zinc/27/03/09/1376270309.db2.gz YPGYCJQDAPVQST-UHFFFAOYSA-N 1 2 327.431 3.378 20 30 EGEDLO COc1cc(F)ccc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC001231601434 1376276224 /nfs/dbraw/zinc/27/62/24/1376276224.db2.gz FQTIBPFUYQUQSX-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO CN(C(=O)c1ccccc1)C1CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232680529 1376500764 /nfs/dbraw/zinc/50/07/64/1376500764.db2.gz DOHBZSCIXLQUAQ-UHFFFAOYSA-N 1 2 349.434 3.000 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001233080213 1376566013 /nfs/dbraw/zinc/56/60/13/1376566013.db2.gz VHPAKLJHAWHQJR-CALCHBBNSA-N 1 2 327.428 3.060 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001233080213 1376566016 /nfs/dbraw/zinc/56/60/16/1376566016.db2.gz VHPAKLJHAWHQJR-CALCHBBNSA-N 1 2 327.428 3.060 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)c(O)c1 ZINC001233386691 1376633824 /nfs/dbraw/zinc/63/38/24/1376633824.db2.gz DWLRSSUWFWTYSI-GOSISDBHSA-N 1 2 330.334 3.116 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)c(O)c1 ZINC001233386691 1376633828 /nfs/dbraw/zinc/63/38/28/1376633828.db2.gz DWLRSSUWFWTYSI-GOSISDBHSA-N 1 2 330.334 3.116 20 30 EGEDLO N#CCC1CC[NH+](Cc2cnc3c(Br)cccn23)CC1 ZINC001233471474 1376651194 /nfs/dbraw/zinc/65/11/94/1376651194.db2.gz GVYCSJQDVHRDLS-UHFFFAOYSA-N 1 2 333.233 3.222 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(Cl)cc1OC ZINC001233946352 1376740693 /nfs/dbraw/zinc/74/06/93/1376740693.db2.gz AAIKBZVCPPHOCV-KRWDZBQOSA-N 1 2 348.874 3.185 20 30 EGEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(Cl)cc1OC ZINC001233946352 1376740697 /nfs/dbraw/zinc/74/06/97/1376740697.db2.gz AAIKBZVCPPHOCV-KRWDZBQOSA-N 1 2 348.874 3.185 20 30 EGEDLO COc1ccc(Cl)c(C[N@@H+]2CC[C@@H]2CN(C)C(=O)C#CC(C)C)c1 ZINC001234162770 1376782068 /nfs/dbraw/zinc/78/20/68/1376782068.db2.gz VAADBRBSEHOJGJ-MRXNPFEDSA-N 1 2 348.874 3.041 20 30 EGEDLO COc1ccc(Cl)c(C[N@H+]2CC[C@@H]2CN(C)C(=O)C#CC(C)C)c1 ZINC001234162770 1376782076 /nfs/dbraw/zinc/78/20/76/1376782076.db2.gz VAADBRBSEHOJGJ-MRXNPFEDSA-N 1 2 348.874 3.041 20 30 EGEDLO CC(C)CC1(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccccc2C#N)CC1 ZINC001235191430 1376856970 /nfs/dbraw/zinc/85/69/70/1376856970.db2.gz HMXCIDKOIXHVAK-LJQANCHMSA-N 1 2 339.483 3.417 20 30 EGEDLO CC(C)CC1(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccccc2C#N)CC1 ZINC001235191430 1376856974 /nfs/dbraw/zinc/85/69/74/1376856974.db2.gz HMXCIDKOIXHVAK-LJQANCHMSA-N 1 2 339.483 3.417 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235304133 1376867059 /nfs/dbraw/zinc/86/70/59/1376867059.db2.gz RJFBKDVUDUUMHB-JTQLQIEISA-N 1 2 327.197 3.419 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235304133 1376867062 /nfs/dbraw/zinc/86/70/62/1376867062.db2.gz RJFBKDVUDUUMHB-JTQLQIEISA-N 1 2 327.197 3.419 20 30 EGEDLO C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C1CCC1 ZINC001235743247 1376888296 /nfs/dbraw/zinc/88/82/96/1376888296.db2.gz PGMWHOSGTIUSBB-KBXCAEBGSA-N 1 2 343.446 3.166 20 30 EGEDLO C[C@H](C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C1CCC1 ZINC001235743247 1376888301 /nfs/dbraw/zinc/88/83/01/1376888301.db2.gz PGMWHOSGTIUSBB-KBXCAEBGSA-N 1 2 343.446 3.166 20 30 EGEDLO CC1(CCC(=O)NCC[N@H+](Cc2ccccc2C#N)C2CC2)CC1 ZINC001266615990 1377346411 /nfs/dbraw/zinc/34/64/11/1377346411.db2.gz XKHXYJOPPRJWSR-UHFFFAOYSA-N 1 2 325.456 3.219 20 30 EGEDLO CC1(CCC(=O)NCC[N@@H+](Cc2ccccc2C#N)C2CC2)CC1 ZINC001266615990 1377346412 /nfs/dbraw/zinc/34/64/12/1377346412.db2.gz XKHXYJOPPRJWSR-UHFFFAOYSA-N 1 2 325.456 3.219 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)CCC)C1 ZINC001189271260 1388503242 /nfs/dbraw/zinc/50/32/42/1388503242.db2.gz YZSWFKPGTIRPBP-JSGCOSHPSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)CCC)C1 ZINC001189271260 1388503243 /nfs/dbraw/zinc/50/32/43/1388503243.db2.gz YZSWFKPGTIRPBP-JSGCOSHPSA-N 1 2 331.298 3.254 20 30 EGEDLO COc1ccc(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)c(C#N)c1 ZINC001137705916 1377600874 /nfs/dbraw/zinc/60/08/74/1377600874.db2.gz GWGLMEOLFCIDGE-INIZCTEOSA-N 1 2 342.361 3.092 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)Cc2nsc3ccccc23)C1 ZINC001270655241 1377609217 /nfs/dbraw/zinc/60/92/17/1377609217.db2.gz BOLPZTQECHJALQ-KRWDZBQOSA-N 1 2 349.887 3.172 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)Cc2nsc3ccccc23)C1 ZINC001270655241 1377609219 /nfs/dbraw/zinc/60/92/19/1377609219.db2.gz BOLPZTQECHJALQ-KRWDZBQOSA-N 1 2 349.887 3.172 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)Cc2nsc3ccccc23)C1 ZINC001270655242 1377609284 /nfs/dbraw/zinc/60/92/84/1377609284.db2.gz BOLPZTQECHJALQ-QGZVFWFLSA-N 1 2 349.887 3.172 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)Cc2nsc3ccccc23)C1 ZINC001270655242 1377609286 /nfs/dbraw/zinc/60/92/86/1377609286.db2.gz BOLPZTQECHJALQ-QGZVFWFLSA-N 1 2 349.887 3.172 20 30 EGEDLO Cc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)c(F)c1F ZINC001137968352 1377655404 /nfs/dbraw/zinc/65/54/04/1377655404.db2.gz BBDJXBUYOUFRNK-UHFFFAOYSA-N 1 2 327.378 3.467 20 30 EGEDLO OC[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2F)C[C@@H]1C(F)(F)F ZINC001138007165 1377663671 /nfs/dbraw/zinc/66/36/71/1377663671.db2.gz XCWBWAOUKHRHHG-KOLCDFICSA-N 1 2 345.258 3.447 20 30 EGEDLO OC[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2F)C[C@@H]1C(F)(F)F ZINC001138007165 1377663673 /nfs/dbraw/zinc/66/36/73/1377663673.db2.gz XCWBWAOUKHRHHG-KOLCDFICSA-N 1 2 345.258 3.447 20 30 EGEDLO C#CCOc1ccc(CN2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)cc1 ZINC001138560767 1377742894 /nfs/dbraw/zinc/74/28/94/1377742894.db2.gz MYUNZSCTOUVXOL-IBGZPJMESA-N 1 2 348.437 3.394 20 30 EGEDLO C=C(C)COc1ccccc1C[N@H+]1Cc2nccn2C[C@H](COC)C1 ZINC001138661328 1377764417 /nfs/dbraw/zinc/76/44/17/1377764417.db2.gz UICMEVJJOYCOGV-QGZVFWFLSA-N 1 2 341.455 3.116 20 30 EGEDLO C=C(C)COc1ccccc1C[N@@H+]1Cc2nccn2C[C@H](COC)C1 ZINC001138661328 1377764439 /nfs/dbraw/zinc/76/44/39/1377764439.db2.gz UICMEVJJOYCOGV-QGZVFWFLSA-N 1 2 341.455 3.116 20 30 EGEDLO C=CCOc1ccccc1C[N@@H+]1Cc2nn(CC)cc2[C@@H](COC)C1 ZINC001139029464 1377819686 /nfs/dbraw/zinc/81/96/86/1377819686.db2.gz YYXZNXIHVODSCR-QGZVFWFLSA-N 1 2 341.455 3.214 20 30 EGEDLO C=CCOc1ccccc1C[N@H+]1Cc2nn(CC)cc2[C@@H](COC)C1 ZINC001139029464 1377819687 /nfs/dbraw/zinc/81/96/87/1377819687.db2.gz YYXZNXIHVODSCR-QGZVFWFLSA-N 1 2 341.455 3.214 20 30 EGEDLO Cc1cc(F)ccc1N1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001139530814 1377897998 /nfs/dbraw/zinc/89/79/98/1377897998.db2.gz SGMLLSCJXUNTSS-UHFFFAOYSA-N 1 2 327.378 3.467 20 30 EGEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2cc(C)ccc2OCC)CC1 ZINC001139607104 1377916473 /nfs/dbraw/zinc/91/64/73/1377916473.db2.gz GOGLGLOJBFSXEV-UHFFFAOYSA-N 1 2 330.428 3.063 20 30 EGEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001139688181 1377934207 /nfs/dbraw/zinc/93/42/07/1377934207.db2.gz APRURDFNVONZQO-ROUUACIJSA-N 1 2 343.858 3.187 20 30 EGEDLO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001139688181 1377934212 /nfs/dbraw/zinc/93/42/12/1377934212.db2.gz APRURDFNVONZQO-ROUUACIJSA-N 1 2 343.858 3.187 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3cnc(Cl)nc3)C2)cc1 ZINC001139993138 1377988573 /nfs/dbraw/zinc/98/85/73/1377988573.db2.gz CDFLAYZGTYALTD-MRXNPFEDSA-N 1 2 328.803 3.045 20 30 EGEDLO N#Cc1ccc(O[C@@H]2CCC[N@H+](Cc3cnc(Cl)nc3)C2)cc1 ZINC001139993138 1377988574 /nfs/dbraw/zinc/98/85/74/1377988574.db2.gz CDFLAYZGTYALTD-MRXNPFEDSA-N 1 2 328.803 3.045 20 30 EGEDLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001140136312 1378017870 /nfs/dbraw/zinc/01/78/70/1378017870.db2.gz UXJDMWLWJFVNRH-CQSZACIVSA-N 1 2 347.434 3.386 20 30 EGEDLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001140136312 1378017871 /nfs/dbraw/zinc/01/78/71/1378017871.db2.gz UXJDMWLWJFVNRH-CQSZACIVSA-N 1 2 347.434 3.386 20 30 EGEDLO C=CC[NH+]1CCN(Cc2sc(NC(C)(C)C)nc2Cl)CC1 ZINC001140391535 1378056913 /nfs/dbraw/zinc/05/69/13/1378056913.db2.gz FVFGPRBVPUEODI-UHFFFAOYSA-N 1 2 328.913 3.311 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1cc(F)ccc1C ZINC001140591961 1378092585 /nfs/dbraw/zinc/09/25/85/1378092585.db2.gz QRUXXAIFKAQOQL-GOSISDBHSA-N 1 2 329.419 3.170 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1cc(F)ccc1C ZINC001140591961 1378092590 /nfs/dbraw/zinc/09/25/90/1378092590.db2.gz QRUXXAIFKAQOQL-GOSISDBHSA-N 1 2 329.419 3.170 20 30 EGEDLO Cc1cc[nH+]c(N2CCN(Cc3cc(C#N)ccc3Cl)CC2)c1 ZINC001140602924 1378095518 /nfs/dbraw/zinc/09/55/18/1378095518.db2.gz UIWOAGKRHCRUOH-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO C#C[C@H]1CCC[N@H+](Cc2cc(F)ccc2I)C1 ZINC001140987219 1378200120 /nfs/dbraw/zinc/20/01/20/1378200120.db2.gz LINCGZLEINQENY-NSHDSACASA-N 1 2 343.183 3.276 20 30 EGEDLO C#C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2I)C1 ZINC001140987219 1378200115 /nfs/dbraw/zinc/20/01/15/1378200115.db2.gz LINCGZLEINQENY-NSHDSACASA-N 1 2 343.183 3.276 20 30 EGEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(Oc2ccc(F)cn2)CC1 ZINC001141168758 1378258620 /nfs/dbraw/zinc/25/86/20/1378258620.db2.gz VQZMZTOIACGWIH-UHFFFAOYSA-N 1 2 329.350 3.275 20 30 EGEDLO COc1cc(OC2CC[NH+](Cc3ccc(F)cc3C#N)CC2)ccn1 ZINC001141168785 1378259451 /nfs/dbraw/zinc/25/94/51/1378259451.db2.gz WKOHKWYIHCGHPD-UHFFFAOYSA-N 1 2 341.386 3.144 20 30 EGEDLO C#CC1CC[NH+](Cc2cc(I)ccc2F)CC1 ZINC001141449220 1378327841 /nfs/dbraw/zinc/32/78/41/1378327841.db2.gz LFDOBPHCZWBOCM-UHFFFAOYSA-N 1 2 343.183 3.276 20 30 EGEDLO N#Cc1ccc(Br)cc1C[N@H+]1CCC[C@@](F)(CO)CC1 ZINC001141897463 1378391654 /nfs/dbraw/zinc/39/16/54/1378391654.db2.gz SFKWXRHAGHVIIW-HNNXBMFYSA-N 1 2 341.224 3.007 20 30 EGEDLO N#Cc1ccc(Br)cc1C[N@@H+]1CCC[C@@](F)(CO)CC1 ZINC001141897463 1378391658 /nfs/dbraw/zinc/39/16/58/1378391658.db2.gz SFKWXRHAGHVIIW-HNNXBMFYSA-N 1 2 341.224 3.007 20 30 EGEDLO C#CCN1CC[NH+](Cc2ccc(Br)c3ccccc23)CC1 ZINC001142053985 1378409190 /nfs/dbraw/zinc/40/91/90/1378409190.db2.gz HGQXFXICUNHWRP-UHFFFAOYSA-N 1 2 343.268 3.353 20 30 EGEDLO CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001143724965 1378639111 /nfs/dbraw/zinc/63/91/11/1378639111.db2.gz TVPHWUKRAJUHDK-MAUKXSAKSA-N 1 2 334.847 3.372 20 30 EGEDLO CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001143724965 1378639113 /nfs/dbraw/zinc/63/91/13/1378639113.db2.gz TVPHWUKRAJUHDK-MAUKXSAKSA-N 1 2 334.847 3.372 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001144068416 1378677795 /nfs/dbraw/zinc/67/77/95/1378677795.db2.gz JICIESJLWBQCJU-UHFFFAOYSA-N 1 2 346.471 3.075 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001144068416 1378677799 /nfs/dbraw/zinc/67/77/99/1378677799.db2.gz JICIESJLWBQCJU-UHFFFAOYSA-N 1 2 346.471 3.075 20 30 EGEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144306689 1378713888 /nfs/dbraw/zinc/71/38/88/1378713888.db2.gz MFXQZTXRQXOVDY-SNVBAGLBSA-N 1 2 327.197 3.419 20 30 EGEDLO N#C[C@@H]1CCC[N@H+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144306689 1378713891 /nfs/dbraw/zinc/71/38/91/1378713891.db2.gz MFXQZTXRQXOVDY-SNVBAGLBSA-N 1 2 327.197 3.419 20 30 EGEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1nc(C(C)C)no1)C2 ZINC001147657753 1379056522 /nfs/dbraw/zinc/05/65/22/1379056522.db2.gz AKCLKGSIDOFWRY-OAHLLOKOSA-N 1 2 346.475 3.145 20 30 EGEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1nc(C(C)C)no1)C2 ZINC001147657753 1379056524 /nfs/dbraw/zinc/05/65/24/1379056524.db2.gz AKCLKGSIDOFWRY-OAHLLOKOSA-N 1 2 346.475 3.145 20 30 EGEDLO C=CCC1(C(=O)N2CC3(C2)CC[N@@H+](Cc2ncc(C)o2)C3)CCCC1 ZINC001148935956 1379301089 /nfs/dbraw/zinc/30/10/89/1379301089.db2.gz WUZOAITYDYVRMG-UHFFFAOYSA-N 1 2 343.471 3.154 20 30 EGEDLO C=CCC1(C(=O)N2CC3(C2)CC[N@H+](Cc2ncc(C)o2)C3)CCCC1 ZINC001148935956 1379301093 /nfs/dbraw/zinc/30/10/93/1379301093.db2.gz WUZOAITYDYVRMG-UHFFFAOYSA-N 1 2 343.471 3.154 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C(CCC)CCC)C1 ZINC001150192644 1379512159 /nfs/dbraw/zinc/51/21/59/1379512159.db2.gz HYECOHBCMPOSCD-INIZCTEOSA-N 1 2 330.900 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C(CCC)CCC)C1 ZINC001150192644 1379512164 /nfs/dbraw/zinc/51/21/64/1379512164.db2.gz HYECOHBCMPOSCD-INIZCTEOSA-N 1 2 330.900 3.162 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1C[N@H+](CC=C(Cl)Cl)CCCO1 ZINC001150246286 1379521939 /nfs/dbraw/zinc/52/19/39/1379521939.db2.gz DLSCNNWDNWLMJK-BBRMVZONSA-N 1 2 349.302 3.115 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1C[N@@H+](CC=C(Cl)Cl)CCCO1 ZINC001150246286 1379521943 /nfs/dbraw/zinc/52/19/43/1379521943.db2.gz DLSCNNWDNWLMJK-BBRMVZONSA-N 1 2 349.302 3.115 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](CCC)C(C)C)C1 ZINC001150385471 1379543288 /nfs/dbraw/zinc/54/32/88/1379543288.db2.gz BRGHAAQFBMYVHJ-HOTGVXAUSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](CCC)C(C)C)C1 ZINC001150385471 1379543292 /nfs/dbraw/zinc/54/32/92/1379543292.db2.gz BRGHAAQFBMYVHJ-HOTGVXAUSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001150578665 1379571608 /nfs/dbraw/zinc/57/16/08/1379571608.db2.gz DQLCYUSVMDFJLF-HOTGVXAUSA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001150578665 1379571611 /nfs/dbraw/zinc/57/16/11/1379571611.db2.gz DQLCYUSVMDFJLF-HOTGVXAUSA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001150589111 1379574207 /nfs/dbraw/zinc/57/42/07/1379574207.db2.gz SYLPCWSSZLSTSH-ZBFHGGJFSA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001150589111 1379574209 /nfs/dbraw/zinc/57/42/09/1379574209.db2.gz SYLPCWSSZLSTSH-ZBFHGGJFSA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](F)CCCCCC)C1 ZINC001150589026 1379574270 /nfs/dbraw/zinc/57/42/70/1379574270.db2.gz SJCXLMSOXOSYMQ-JKSUJKDBSA-N 1 2 348.890 3.255 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H](F)CCCCCC)C1 ZINC001150589026 1379574271 /nfs/dbraw/zinc/57/42/71/1379574271.db2.gz SJCXLMSOXOSYMQ-JKSUJKDBSA-N 1 2 348.890 3.255 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C[C@@H](CC)C(C)C)C1 ZINC001150613099 1379579232 /nfs/dbraw/zinc/57/92/32/1379579232.db2.gz IDMDMQJVPXZFJR-CVEARBPZSA-N 1 2 330.900 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C[C@@H](CC)C(C)C)C1 ZINC001150613099 1379579236 /nfs/dbraw/zinc/57/92/36/1379579236.db2.gz IDMDMQJVPXZFJR-CVEARBPZSA-N 1 2 330.900 3.018 20 30 EGEDLO C=CC[C@H](C(=O)NCC[NH2+]Cc1ncc(C(C)C)o1)c1ccccc1 ZINC001151842566 1379795842 /nfs/dbraw/zinc/79/58/42/1379795842.db2.gz PWHZYDTXCGRYAM-KRWDZBQOSA-N 1 2 341.455 3.364 20 30 EGEDLO CC/C=C(\C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(F)ccc1C#N ZINC001152188298 1379881903 /nfs/dbraw/zinc/88/19/03/1379881903.db2.gz HOFWDYQDCXAEHJ-KEQVLUGWSA-N 1 2 331.435 3.380 20 30 EGEDLO CC/C=C(\C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(F)ccc1C#N ZINC001152188298 1379881907 /nfs/dbraw/zinc/88/19/07/1379881907.db2.gz HOFWDYQDCXAEHJ-KEQVLUGWSA-N 1 2 331.435 3.380 20 30 EGEDLO CC[N@H+](Cc1csc(C2CCCC2)n1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152419640 1379930367 /nfs/dbraw/zinc/93/03/67/1379930367.db2.gz DRXUIOYVMQUBEN-UONOGXRCSA-N 1 2 348.516 3.287 20 30 EGEDLO CC[N@@H+](Cc1csc(C2CCCC2)n1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152419640 1379930370 /nfs/dbraw/zinc/93/03/70/1379930370.db2.gz DRXUIOYVMQUBEN-UONOGXRCSA-N 1 2 348.516 3.287 20 30 EGEDLO CC[N@H+](Cc1csc(C2CC2)n1)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153281043 1380048974 /nfs/dbraw/zinc/04/89/74/1380048974.db2.gz AECIMPTVBYSRQX-CQSZACIVSA-N 1 2 347.528 3.397 20 30 EGEDLO CC[N@@H+](Cc1csc(C2CC2)n1)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153281043 1380048981 /nfs/dbraw/zinc/04/89/81/1380048981.db2.gz AECIMPTVBYSRQX-CQSZACIVSA-N 1 2 347.528 3.397 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C)s1 ZINC001153830700 1380138685 /nfs/dbraw/zinc/13/86/85/1380138685.db2.gz CVQFWSSTTYGAQH-CQSZACIVSA-N 1 2 346.500 3.079 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C)s1 ZINC001153830700 1380138686 /nfs/dbraw/zinc/13/86/86/1380138686.db2.gz CVQFWSSTTYGAQH-CQSZACIVSA-N 1 2 346.500 3.079 20 30 EGEDLO Cc1nc(N2CC[N@@H+]3CCc4ccccc4[C@H]3C2)c(Cl)cc1C#N ZINC001155102692 1380408974 /nfs/dbraw/zinc/40/89/74/1380408974.db2.gz COMVBYDVKPTNGF-GOSISDBHSA-N 1 2 338.842 3.335 20 30 EGEDLO Cc1nc(N2CC[N@H+]3CCc4ccccc4[C@H]3C2)c(Cl)cc1C#N ZINC001155102692 1380408975 /nfs/dbraw/zinc/40/89/75/1380408975.db2.gz COMVBYDVKPTNGF-GOSISDBHSA-N 1 2 338.842 3.335 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001155120703 1380413056 /nfs/dbraw/zinc/41/30/56/1380413056.db2.gz UKWIQSVAGANKHZ-IIAWOOMASA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001155120703 1380413057 /nfs/dbraw/zinc/41/30/57/1380413057.db2.gz UKWIQSVAGANKHZ-IIAWOOMASA-N 1 2 343.309 3.302 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C1(CF)CCC1 ZINC001155329976 1380437965 /nfs/dbraw/zinc/43/79/65/1380437965.db2.gz ILEIDIHTNJINIS-CQSZACIVSA-N 1 2 349.425 3.164 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C1(CF)CCC1 ZINC001155329976 1380437966 /nfs/dbraw/zinc/43/79/66/1380437966.db2.gz ILEIDIHTNJINIS-CQSZACIVSA-N 1 2 349.425 3.164 20 30 EGEDLO CSc1ncc2c(n1)CN(c1[nH+]ccc3ccc(C#N)cc31)CC2 ZINC001156161024 1380533689 /nfs/dbraw/zinc/53/36/89/1380533689.db2.gz KSQSBYFZPMMPFJ-UHFFFAOYSA-N 1 2 333.420 3.181 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nccn1CC ZINC001158019040 1381104529 /nfs/dbraw/zinc/10/45/29/1381104529.db2.gz ORRKSEIFZNZSPR-QGZVFWFLSA-N 1 2 332.492 3.072 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nccn1CC ZINC001158019040 1381104534 /nfs/dbraw/zinc/10/45/34/1381104534.db2.gz ORRKSEIFZNZSPR-QGZVFWFLSA-N 1 2 332.492 3.072 20 30 EGEDLO C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC001158083308 1381123787 /nfs/dbraw/zinc/12/37/87/1381123787.db2.gz URENEKWQIBIIKU-QGZVFWFLSA-N 1 2 342.487 3.017 20 30 EGEDLO C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC001158083308 1381123789 /nfs/dbraw/zinc/12/37/89/1381123789.db2.gz URENEKWQIBIIKU-QGZVFWFLSA-N 1 2 342.487 3.017 20 30 EGEDLO N#CCc1cc[nH+]c(N2CCC[C@H](N3Cc4ccccc4NC3=O)C2)c1 ZINC001158243327 1381172940 /nfs/dbraw/zinc/17/29/40/1381172940.db2.gz SSEUBAXZCYIGRP-KRWDZBQOSA-N 1 2 347.422 3.164 20 30 EGEDLO N#CCc1cc[nH+]c(NC2CCN(c3ncccc3Cl)CC2)c1 ZINC001158290962 1381187726 /nfs/dbraw/zinc/18/77/26/1381187726.db2.gz QVRNGDBUPZDEMN-UHFFFAOYSA-N 1 2 327.819 3.277 20 30 EGEDLO CC[C@@H](C)C(=O)NCCC1=CC[N@H+](Cc2cc(F)ccc2C#N)CC1 ZINC001159326120 1381763244 /nfs/dbraw/zinc/76/32/44/1381763244.db2.gz ZGVRNIRSBBXMAL-OAHLLOKOSA-N 1 2 343.446 3.382 20 30 EGEDLO CC[C@@H](C)C(=O)NCCC1=CC[N@@H+](Cc2cc(F)ccc2C#N)CC1 ZINC001159326120 1381763248 /nfs/dbraw/zinc/76/32/48/1381763248.db2.gz ZGVRNIRSBBXMAL-OAHLLOKOSA-N 1 2 343.446 3.382 20 30 EGEDLO C=CCNC(=O)c1cccnc1N[C@@H](C)c1c[nH+]c2c(C)cccn12 ZINC001160686880 1382170601 /nfs/dbraw/zinc/17/06/01/1382170601.db2.gz QEWPYIBTVUSSNF-AWEZNQCLSA-N 1 2 335.411 3.127 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCC1=CC[N@H+](Cc2nccs2)CC1 ZINC001160940836 1382243582 /nfs/dbraw/zinc/24/35/82/1382243582.db2.gz GOGSICLNTUITNR-HUUCEWRRSA-N 1 2 333.501 3.240 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCC1=CC[N@@H+](Cc2nccs2)CC1 ZINC001160940836 1382243585 /nfs/dbraw/zinc/24/35/85/1382243585.db2.gz GOGSICLNTUITNR-HUUCEWRRSA-N 1 2 333.501 3.240 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@H+](Cc2coc(C)n2)CC1 ZINC001160968407 1382255846 /nfs/dbraw/zinc/25/58/46/1382255846.db2.gz UVQPVCWHXKMRSW-OAHLLOKOSA-N 1 2 331.460 3.224 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@@H+](Cc2coc(C)n2)CC1 ZINC001160968407 1382255850 /nfs/dbraw/zinc/25/58/50/1382255850.db2.gz UVQPVCWHXKMRSW-OAHLLOKOSA-N 1 2 331.460 3.224 20 30 EGEDLO COc1ccccc1C1(Nc2[nH+]ccc3ccc(C#N)cc32)COC1 ZINC001161272701 1382358951 /nfs/dbraw/zinc/35/89/51/1382358951.db2.gz LHRGOFZPNDXEGL-UHFFFAOYSA-N 1 2 331.375 3.453 20 30 EGEDLO CC(C)n1c[nH+]cc1CNC(F)(F)c1cnc(Cl)c(C#N)c1 ZINC001161566035 1382441273 /nfs/dbraw/zinc/44/12/73/1382441273.db2.gz ZNIMLBXYRUOBMK-UHFFFAOYSA-N 1 2 325.750 3.223 20 30 EGEDLO N#CCOc1ccc(Br)cc1NCCCn1cc[nH+]c1 ZINC001161684723 1382480000 /nfs/dbraw/zinc/48/00/00/1382480000.db2.gz LBSNBAFHBKIYMQ-UHFFFAOYSA-N 1 2 335.205 3.050 20 30 EGEDLO Cc1nc(N[C@@H](C[NH+]2CCOCC2)C(C)(C)C)c(Cl)cc1C#N ZINC001162882802 1382904479 /nfs/dbraw/zinc/90/44/79/1382904479.db2.gz RUJTUVVOQNKCOD-HNNXBMFYSA-N 1 2 336.867 3.074 20 30 EGEDLO N#Cc1cnc(Cl)cc1C(F)(F)NCc1ccc2[nH+]ccn2c1 ZINC001163139579 1382975027 /nfs/dbraw/zinc/97/50/27/1382975027.db2.gz RFHNUJMSVKSWRI-UHFFFAOYSA-N 1 2 333.729 3.093 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC1(C[NH2+]Cc2noc(CCCC)n2)CC1 ZINC001166574910 1383440448 /nfs/dbraw/zinc/44/04/48/1383440448.db2.gz ZRQLHQADZLODOC-UHFFFAOYSA-N 1 2 348.491 3.001 20 30 EGEDLO C=C1CCC(C(=O)NCCC2(C[NH2+][C@@H](C)c3noc(C)n3)CC2)CC1 ZINC001167025155 1383521346 /nfs/dbraw/zinc/52/13/46/1383521346.db2.gz BURITNLIQXLUFJ-AWEZNQCLSA-N 1 2 346.475 3.062 20 30 EGEDLO CC(C)(C)OC(=O)Cc1ccc[nH+]c1NCCc1ccc(C#N)cc1 ZINC001167678697 1383708069 /nfs/dbraw/zinc/70/80/69/1383708069.db2.gz VSSKCYRMMISELE-UHFFFAOYSA-N 1 2 337.423 3.492 20 30 EGEDLO Cc1ccc(NCCSCc2csc(C[NH+](C)C)n2)c(C#N)n1 ZINC001168108396 1383818229 /nfs/dbraw/zinc/81/82/29/1383818229.db2.gz LMBZKRRCPMXWRH-UHFFFAOYSA-N 1 2 347.513 3.125 20 30 EGEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NC[C@H]2C[C@H](F)C2)[nH+]1 ZINC001168236908 1383850802 /nfs/dbraw/zinc/85/08/02/1383850802.db2.gz GVVSMGDETOSYRU-OFTUULEYSA-N 1 2 325.453 3.431 20 30 EGEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC001168475760 1383917751 /nfs/dbraw/zinc/91/77/51/1383917751.db2.gz PEPLVYLDBYVUCO-IFXJQAMLSA-N 1 2 340.398 3.002 20 30 EGEDLO COc1cc(CNc2cc(C3(C#N)CC3)cc[nH+]2)cc(OC)c1OC ZINC001168672610 1383966203 /nfs/dbraw/zinc/96/62/03/1383966203.db2.gz NGNOLXWKHWOQTN-UHFFFAOYSA-N 1 2 339.395 3.275 20 30 EGEDLO N#CC1(c2cc[nH+]c(N[C@H]3CCCN(C(=O)c4ccccc4)C3)c2)CC1 ZINC001168895067 1384050207 /nfs/dbraw/zinc/05/02/07/1384050207.db2.gz AESVLZHTLNHXEH-SFHVURJKSA-N 1 2 346.434 3.353 20 30 EGEDLO N=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc2cc(O)ccc2c1 ZINC001171185780 1384463105 /nfs/dbraw/zinc/46/31/05/1384463105.db2.gz INGDBXFFYYJVBK-UHFFFAOYSA-N 1 2 343.390 3.222 20 30 EGEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCc2c(C)cccc2C1 ZINC001171563081 1384563774 /nfs/dbraw/zinc/56/37/74/1384563774.db2.gz DHZGRTFMZJWKQK-FPOVZHCZSA-N 1 2 348.446 3.098 20 30 EGEDLO CCCCCCC[C@H](CC)[N@@H+]1CCn2nc(C(=O)OCC)nc2C1 ZINC001172359478 1384777360 /nfs/dbraw/zinc/77/73/60/1384777360.db2.gz WSJPTUFOUMPMRZ-HNNXBMFYSA-N 1 2 336.480 3.410 20 30 EGEDLO CCCCCCC[C@H](CC)[N@H+]1CCn2nc(C(=O)OCC)nc2C1 ZINC001172359478 1384777361 /nfs/dbraw/zinc/77/73/61/1384777361.db2.gz WSJPTUFOUMPMRZ-HNNXBMFYSA-N 1 2 336.480 3.410 20 30 EGEDLO C#CC[NH+]1CCN([C@@H](C)CCc2c(F)cc(Cl)cc2F)CC1 ZINC001172577396 1384814280 /nfs/dbraw/zinc/81/42/80/1384814280.db2.gz IXKFQDHNBWYYCC-ZDUSSCGKSA-N 1 2 326.818 3.190 20 30 EGEDLO C=CC[C@H]([NH2+][C@H](C)Cc1ccc(OC(F)(F)F)cc1)C(=O)OC ZINC001173077378 1384908611 /nfs/dbraw/zinc/90/86/11/1384908611.db2.gz FMTFLMMASKJLFM-RISCZKNCSA-N 1 2 331.334 3.224 20 30 EGEDLO Cc1ccc(C#N)cc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC001335860458 1388954160 /nfs/dbraw/zinc/95/41/60/1388954160.db2.gz MQQINRCDUXUEKM-UHFFFAOYSA-N 1 2 334.423 3.182 20 30 EGEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173586443 1384982355 /nfs/dbraw/zinc/98/23/55/1384982355.db2.gz QWYNFMVQUKBNCO-FDYSRKEFSA-N 1 2 326.440 3.389 20 30 EGEDLO Cc1ccc(C(=O)NCC[N@@H+](C)Cc2ccc(C#N)cc2F)cc1C ZINC001317470192 1385164229 /nfs/dbraw/zinc/16/42/29/1385164229.db2.gz WBXBXYHUZYJAHB-UHFFFAOYSA-N 1 2 339.414 3.176 20 30 EGEDLO Cc1ccc(C(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2F)cc1C ZINC001317470192 1385164230 /nfs/dbraw/zinc/16/42/30/1385164230.db2.gz WBXBXYHUZYJAHB-UHFFFAOYSA-N 1 2 339.414 3.176 20 30 EGEDLO COC(=O)c1cc(C#N)cc(C)c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175352219 1385262491 /nfs/dbraw/zinc/26/24/91/1385262491.db2.gz HKBVAPHFXKXTPU-UHFFFAOYSA-N 1 2 336.395 3.392 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cc(Cl)cn2C)C1 ZINC001317762592 1385452284 /nfs/dbraw/zinc/45/22/84/1385452284.db2.gz YAFIZWZXADPZBR-CQSZACIVSA-N 1 2 344.286 3.358 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cc(Cl)cn2C)C1 ZINC001317762592 1385452286 /nfs/dbraw/zinc/45/22/86/1385452286.db2.gz YAFIZWZXADPZBR-CQSZACIVSA-N 1 2 344.286 3.358 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@@H+](Cc3ccc(C)c(C)c3)[C@@H]2C1 ZINC001176955400 1385754014 /nfs/dbraw/zinc/75/40/14/1385754014.db2.gz SMFOUNLAQBMZIT-UXHICEINSA-N 1 2 342.483 3.071 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@H+](Cc3ccc(C)c(C)c3)[C@@H]2C1 ZINC001176955400 1385754015 /nfs/dbraw/zinc/75/40/15/1385754015.db2.gz SMFOUNLAQBMZIT-UXHICEINSA-N 1 2 342.483 3.071 20 30 EGEDLO Cc1cc(C#N)c(NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)s1 ZINC001176958227 1385754726 /nfs/dbraw/zinc/75/47/26/1385754726.db2.gz NWGOGKNOCJXHHP-ZDUSSCGKSA-N 1 2 326.425 3.178 20 30 EGEDLO N#Cc1c(F)ccc(NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)c1F ZINC001176967480 1385757506 /nfs/dbraw/zinc/75/75/06/1385757506.db2.gz NTCFZGBOGBQWCQ-GFCCVEGCSA-N 1 2 342.349 3.087 20 30 EGEDLO CC(C)(NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1)c1ccc(C#N)cc1 ZINC001176970102 1385758408 /nfs/dbraw/zinc/75/84/08/1385758408.db2.gz JQSDRSJEPQVSAQ-KRWDZBQOSA-N 1 2 348.450 3.221 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]2OCC[N@@H+](CC=C(C)C)[C@H]2C1 ZINC001177020413 1385775436 /nfs/dbraw/zinc/77/54/36/1385775436.db2.gz ZDLDIUQOJAOLLK-OALUTQOASA-N 1 2 332.488 3.023 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]2OCC[N@H+](CC=C(C)C)[C@H]2C1 ZINC001177020413 1385775439 /nfs/dbraw/zinc/77/54/39/1385775439.db2.gz ZDLDIUQOJAOLLK-OALUTQOASA-N 1 2 332.488 3.023 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)CCCCC)C[C@@H]21 ZINC001177150162 1385835151 /nfs/dbraw/zinc/83/51/51/1385835151.db2.gz IWFRXHDRQNHBLV-ZWKOTPCHSA-N 1 2 336.520 3.471 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)CCCCC)C[C@@H]21 ZINC001177150162 1385835156 /nfs/dbraw/zinc/83/51/56/1385835156.db2.gz IWFRXHDRQNHBLV-ZWKOTPCHSA-N 1 2 336.520 3.471 20 30 EGEDLO CCCCCCC[NH2+][C@H]1CCN(C(=O)C(F)C(F)(F)F)[C@H]1C ZINC001178746472 1386293982 /nfs/dbraw/zinc/29/39/82/1386293982.db2.gz GACNTAMKGDSBBK-AVGNSLFASA-N 1 2 326.378 3.436 20 30 EGEDLO CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)[C@H]1C ZINC001178746472 1386293986 /nfs/dbraw/zinc/29/39/86/1386293986.db2.gz GACNTAMKGDSBBK-AVGNSLFASA-N 1 2 326.378 3.436 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([NH2+]Cc2nc(C3CCC3)no2)[C@@H]1C ZINC001178795768 1386306831 /nfs/dbraw/zinc/30/68/31/1386306831.db2.gz YCEQPHHSWGDVGX-ZFWWWQNUSA-N 1 2 346.475 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C1(c2ccc(F)cc2)CCC1 ZINC001322217423 1387106621 /nfs/dbraw/zinc/10/66/21/1387106621.db2.gz FWQXIRBTHWODTD-AWEZNQCLSA-N 1 2 338.854 3.436 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C1(c2ccc(F)cc2)CCC1 ZINC001322217423 1387106624 /nfs/dbraw/zinc/10/66/24/1387106624.db2.gz FWQXIRBTHWODTD-AWEZNQCLSA-N 1 2 338.854 3.436 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCOc1cc(C)ccc1C ZINC001329608155 1389180845 /nfs/dbraw/zinc/18/08/45/1389180845.db2.gz KSYFSNTXPZFBEA-INIZCTEOSA-N 1 2 338.879 3.261 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCOc1cc(C)ccc1C ZINC001329608155 1389180848 /nfs/dbraw/zinc/18/08/48/1389180848.db2.gz KSYFSNTXPZFBEA-INIZCTEOSA-N 1 2 338.879 3.261 20 30 EGEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC001340422566 1390286407 /nfs/dbraw/zinc/28/64/07/1390286407.db2.gz URQFEVKCQUYJHD-IRXDYDNUSA-N 1 2 329.492 3.219 20 30 EGEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H](C(C)(C)C)C1 ZINC001340733739 1390355296 /nfs/dbraw/zinc/35/52/96/1390355296.db2.gz SNGIJDBUFWXFJF-HNNXBMFYSA-N 1 2 342.491 3.051 20 30 EGEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H](C)CC1 ZINC001341035787 1390429165 /nfs/dbraw/zinc/42/91/65/1390429165.db2.gz LAWUYURWGWUABY-MRXNPFEDSA-N 1 2 344.507 3.017 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001342071529 1390567611 /nfs/dbraw/zinc/56/76/11/1390567611.db2.gz LSASYYZFMNGXRW-CVEARBPZSA-N 1 2 341.459 3.208 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001342071529 1390567615 /nfs/dbraw/zinc/56/76/15/1390567615.db2.gz LSASYYZFMNGXRW-CVEARBPZSA-N 1 2 341.459 3.208 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](OC(C)C)C1 ZINC001342070875 1390567742 /nfs/dbraw/zinc/56/77/42/1390567742.db2.gz JBQUIQNBSLIGAU-SJORKVTESA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](OC(C)C)C1 ZINC001342070875 1390567744 /nfs/dbraw/zinc/56/77/44/1390567744.db2.gz JBQUIQNBSLIGAU-SJORKVTESA-N 1 2 347.507 3.015 20 30 EGEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CC[C@@H](C2CC2)C1 ZINC001342343088 1390603273 /nfs/dbraw/zinc/60/32/73/1390603273.db2.gz XLXRQZVJIRCAGO-QGZVFWFLSA-N 1 2 329.492 3.076 20 30 EGEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CC(C)(C)c2ccccc21 ZINC001342415693 1390610505 /nfs/dbraw/zinc/61/05/05/1390610505.db2.gz LQXGTBNILTXAGB-UHFFFAOYSA-N 1 2 348.454 3.218 20 30 EGEDLO C=C(C)CN(C)c1nnc([C@@H]2CCC[N@@H+]2C)n1Cc1cccs1 ZINC001343560705 1390722764 /nfs/dbraw/zinc/72/27/64/1390722764.db2.gz ZZMNYPYOZZIPBU-HNNXBMFYSA-N 1 2 331.489 3.167 20 30 EGEDLO C=C(C)CN(C)c1nnc([C@@H]2CCC[N@H+]2C)n1Cc1cccs1 ZINC001343560705 1390722766 /nfs/dbraw/zinc/72/27/66/1390722766.db2.gz ZZMNYPYOZZIPBU-HNNXBMFYSA-N 1 2 331.489 3.167 20 30 EGEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCCCCCC1 ZINC001351545498 1391650677 /nfs/dbraw/zinc/65/06/77/1391650677.db2.gz VMEJTZIGGHQOMU-KRWDZBQOSA-N 1 2 347.507 3.016 20 30 EGEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCCCCCC1 ZINC001351545498 1391650681 /nfs/dbraw/zinc/65/06/81/1391650681.db2.gz VMEJTZIGGHQOMU-KRWDZBQOSA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@H](C)C(C)C)CC1 ZINC001479893031 1392462600 /nfs/dbraw/zinc/46/26/00/1392462600.db2.gz OBUNJFDXAPQDBL-ZDUSSCGKSA-N 1 2 331.298 3.110 20 30 EGEDLO C[C@H](C(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1)C(C)(C)C ZINC001481173038 1393141332 /nfs/dbraw/zinc/14/13/32/1393141332.db2.gz GEFULPCQYYLCBA-CQSZACIVSA-N 1 2 345.462 3.460 20 30 EGEDLO C[C@H](C(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1)C(C)(C)C ZINC001481173038 1393141333 /nfs/dbraw/zinc/14/13/33/1393141333.db2.gz GEFULPCQYYLCBA-CQSZACIVSA-N 1 2 345.462 3.460 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cccc2c1ccn2C)C1CC1 ZINC001481190632 1393146441 /nfs/dbraw/zinc/14/64/41/1393146441.db2.gz SQPASKCYZXQYTK-UHFFFAOYSA-N 1 2 331.847 3.125 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cccc2c1ccn2C)C1CC1 ZINC001481190632 1393146442 /nfs/dbraw/zinc/14/64/42/1393146442.db2.gz SQPASKCYZXQYTK-UHFFFAOYSA-N 1 2 331.847 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H](C)Oc1cccc(C)c1)C1CC1 ZINC001481197185 1393148219 /nfs/dbraw/zinc/14/82/19/1393148219.db2.gz DRWYUSJUSPKJFI-OAHLLOKOSA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H](C)Oc1cccc(C)c1)C1CC1 ZINC001481197185 1393148220 /nfs/dbraw/zinc/14/82/20/1393148220.db2.gz DRWYUSJUSPKJFI-OAHLLOKOSA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2ncoc2C2CC2)C1 ZINC001732041703 1428270826 /nfs/dbraw/zinc/27/08/26/1428270826.db2.gz UMSDIVLZOOUPNH-CQSZACIVSA-N 1 2 337.851 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ncoc2C2CC2)C1 ZINC001732041703 1428270830 /nfs/dbraw/zinc/27/08/30/1428270830.db2.gz UMSDIVLZOOUPNH-CQSZACIVSA-N 1 2 337.851 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnc2ccccc2c1C ZINC001699455361 1412799512 /nfs/dbraw/zinc/79/95/12/1412799512.db2.gz NUCDIIOLSWZGJG-CYBMUJFWSA-N 1 2 331.847 3.346 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cnc2ccccc2c1C ZINC001699455361 1412799515 /nfs/dbraw/zinc/79/95/15/1412799515.db2.gz NUCDIIOLSWZGJG-CYBMUJFWSA-N 1 2 331.847 3.346 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1coc(-c2ccccc2)n1 ZINC001699468185 1412840422 /nfs/dbraw/zinc/84/04/22/1412840422.db2.gz ROUNBGWNPRYZDX-CYBMUJFWSA-N 1 2 333.819 3.144 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1coc(-c2ccccc2)n1 ZINC001699468185 1412840427 /nfs/dbraw/zinc/84/04/27/1412840427.db2.gz ROUNBGWNPRYZDX-CYBMUJFWSA-N 1 2 333.819 3.144 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)CCC(C)(F)F ZINC001707045826 1417157434 /nfs/dbraw/zinc/15/74/34/1417157434.db2.gz JCPLXBBKPOKCNI-MRXNPFEDSA-N 1 2 335.398 3.026 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)CCC(C)(F)F ZINC001707045826 1417157436 /nfs/dbraw/zinc/15/74/36/1417157436.db2.gz JCPLXBBKPOKCNI-MRXNPFEDSA-N 1 2 335.398 3.026 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2ccc(F)cc2F)C1 ZINC001713059878 1417614745 /nfs/dbraw/zinc/61/47/45/1417614745.db2.gz OXALGJPCGAWNJQ-ZBFHGGJFSA-N 1 2 334.410 3.410 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2ccc(F)cc2F)C1 ZINC001713059878 1417614748 /nfs/dbraw/zinc/61/47/48/1417614748.db2.gz OXALGJPCGAWNJQ-ZBFHGGJFSA-N 1 2 334.410 3.410 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2ccccc2Cl)C1 ZINC001713087201 1417634195 /nfs/dbraw/zinc/63/41/95/1417634195.db2.gz NXGIUEWEPGYFQM-WFASDCNBSA-N 1 2 341.282 3.462 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2ccccc2Cl)C1 ZINC001713087201 1417634196 /nfs/dbraw/zinc/63/41/96/1417634196.db2.gz NXGIUEWEPGYFQM-WFASDCNBSA-N 1 2 341.282 3.462 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cc2ccccc2nc1C ZINC001713486203 1418180170 /nfs/dbraw/zinc/18/01/70/1418180170.db2.gz ZAYMZPYGUSWREO-UHFFFAOYSA-N 1 2 331.847 3.347 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cc2ccccc2nc1C ZINC001713486203 1418180172 /nfs/dbraw/zinc/18/01/72/1418180172.db2.gz ZAYMZPYGUSWREO-UHFFFAOYSA-N 1 2 331.847 3.347 20 30 EGEDLO Cc1ccc(C(=O)NCC[N@H+](Cc2ccccc2C#N)C2CC2)s1 ZINC001713552745 1418339323 /nfs/dbraw/zinc/33/93/23/1418339323.db2.gz AZKKCUMYIURNLZ-UHFFFAOYSA-N 1 2 339.464 3.323 20 30 EGEDLO Cc1ccc(C(=O)NCC[N@@H+](Cc2ccccc2C#N)C2CC2)s1 ZINC001713552745 1418339328 /nfs/dbraw/zinc/33/93/28/1418339328.db2.gz AZKKCUMYIURNLZ-UHFFFAOYSA-N 1 2 339.464 3.323 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCC[N@@H+](Cc2nc(-c3ccco3)oc2C)C1 ZINC001713794009 1418613936 /nfs/dbraw/zinc/61/39/36/1418613936.db2.gz HORGWNCLVURDBS-HNNXBMFYSA-N 1 2 343.427 3.290 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCC[N@H+](Cc2nc(-c3ccco3)oc2C)C1 ZINC001713794009 1418613938 /nfs/dbraw/zinc/61/39/38/1418613938.db2.gz HORGWNCLVURDBS-HNNXBMFYSA-N 1 2 343.427 3.290 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCc2cccc(Cl)c2)C1 ZINC001713829231 1418627414 /nfs/dbraw/zinc/62/74/14/1418627414.db2.gz KJASFZCEQLRSPR-OAHLLOKOSA-N 1 2 327.255 3.216 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCc2cccc(Cl)c2)C1 ZINC001713829231 1418627416 /nfs/dbraw/zinc/62/74/16/1418627416.db2.gz KJASFZCEQLRSPR-OAHLLOKOSA-N 1 2 327.255 3.216 20 30 EGEDLO CCC[C@@H](C)CC(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001713892755 1418690247 /nfs/dbraw/zinc/69/02/47/1418690247.db2.gz IMEAGISDWIFVNX-CQSZACIVSA-N 1 2 331.435 3.072 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C(C)(C)c2ccc(Cl)cc2)C1 ZINC001713917844 1418712687 /nfs/dbraw/zinc/71/26/87/1418712687.db2.gz MPRDICXLBHRGMF-UHFFFAOYSA-N 1 2 341.282 3.418 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1csc2c1CCCC2 ZINC001714600045 1419355829 /nfs/dbraw/zinc/35/58/29/1419355829.db2.gz QIMIGASXDRHOCX-UHFFFAOYSA-N 1 2 326.893 3.431 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1csc2c1CCCC2 ZINC001714600045 1419355831 /nfs/dbraw/zinc/35/58/31/1419355831.db2.gz QIMIGASXDRHOCX-UHFFFAOYSA-N 1 2 326.893 3.431 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](C)Cc2ccccc2Cl)C1 ZINC001714974129 1419708560 /nfs/dbraw/zinc/70/85/60/1419708560.db2.gz QMBLGTFGUZVWJC-GFCCVEGCSA-N 1 2 341.282 3.319 20 30 EGEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)C1(C)CCCC1 ZINC001715923910 1420400406 /nfs/dbraw/zinc/40/04/06/1420400406.db2.gz URNGFAIDDVSKAT-UHFFFAOYSA-N 1 2 331.435 3.168 20 30 EGEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)C1(C)CCCC1 ZINC001715923910 1420400408 /nfs/dbraw/zinc/40/04/08/1420400408.db2.gz URNGFAIDDVSKAT-UHFFFAOYSA-N 1 2 331.435 3.168 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(CC)CCC1 ZINC001717368336 1421305158 /nfs/dbraw/zinc/30/51/58/1421305158.db2.gz AXQRAGVDUYJERR-AWEZNQCLSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)C1(CC)CCC1 ZINC001717368336 1421305161 /nfs/dbraw/zinc/30/51/61/1421305161.db2.gz AXQRAGVDUYJERR-AWEZNQCLSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CCc2cccc(F)c2F)C1 ZINC001725269958 1425906073 /nfs/dbraw/zinc/90/60/73/1425906073.db2.gz ZHSWNNWXTVYNAN-LBPRGKRZSA-N 1 2 342.817 3.086 20 30 EGEDLO C[N@H+](CCNC(=O)C1(C2CCCCC2)CC1)Cc1ccccc1C#N ZINC001731791276 1427932080 /nfs/dbraw/zinc/93/20/80/1427932080.db2.gz BCRBIRLWXRKBDB-UHFFFAOYSA-N 1 2 339.483 3.467 20 30 EGEDLO C[N@@H+](CCNC(=O)C1(C2CCCCC2)CC1)Cc1ccccc1C#N ZINC001731791276 1427932083 /nfs/dbraw/zinc/93/20/83/1427932083.db2.gz BCRBIRLWXRKBDB-UHFFFAOYSA-N 1 2 339.483 3.467 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@]1(C)CCc2ccccc21)C1CC1 ZINC001731883232 1428155285 /nfs/dbraw/zinc/15/52/85/1428155285.db2.gz DAZLZSWZFZRDRZ-LJQANCHMSA-N 1 2 332.875 3.224 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@]1(C)CCc2ccccc21)C1CC1 ZINC001731883232 1428155286 /nfs/dbraw/zinc/15/52/86/1428155286.db2.gz DAZLZSWZFZRDRZ-LJQANCHMSA-N 1 2 332.875 3.224 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccccc1-n1cccc1 ZINC001734049624 1437839181 /nfs/dbraw/zinc/83/91/81/1437839181.db2.gz WDSMDPNOYXMAQX-HNNXBMFYSA-N 1 2 331.847 3.280 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccccc1-n1cccc1 ZINC001734049624 1437839183 /nfs/dbraw/zinc/83/91/83/1437839183.db2.gz WDSMDPNOYXMAQX-HNNXBMFYSA-N 1 2 331.847 3.280 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)COc2ccc(C)cc2)[C@@H]1C ZINC001734457426 1438114853 /nfs/dbraw/zinc/11/48/53/1438114853.db2.gz JWQHXAYVYSYGDK-RDJZCZTQSA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)COc2ccc(C)cc2)[C@@H]1C ZINC001734457426 1438114854 /nfs/dbraw/zinc/11/48/54/1438114854.db2.gz JWQHXAYVYSYGDK-RDJZCZTQSA-N 1 2 336.863 3.095 20 30 EGEDLO C=C(Cl)C[NH2+]C[C@H](NC(=O)c1cccc2nc[nH]c21)C(C)(C)C ZINC001734572994 1438166776 /nfs/dbraw/zinc/16/67/76/1438166776.db2.gz GGBQQCCPPBPJEV-AWEZNQCLSA-N 1 2 334.851 3.050 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1noc(CC)n1 ZINC001752146773 1440146197 /nfs/dbraw/zinc/14/61/97/1440146197.db2.gz PHZZEAJINQBJBA-CABCVRRESA-N 1 2 348.491 3.094 20 30 EGEDLO CCCC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001752396115 1440173954 /nfs/dbraw/zinc/17/39/54/1440173954.db2.gz VOCCHDZBYQOCNY-INIZCTEOSA-N 1 2 331.435 3.214 20 30 EGEDLO CCCC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001752396115 1440173956 /nfs/dbraw/zinc/17/39/56/1440173956.db2.gz VOCCHDZBYQOCNY-INIZCTEOSA-N 1 2 331.435 3.214 20 30 EGEDLO C#CCCCCC(=O)NC[C@H]1CCCC[N@H+]1CC(=C)Br ZINC001752817225 1440218660 /nfs/dbraw/zinc/21/86/60/1440218660.db2.gz WJARASWODIWTQS-OAHLLOKOSA-N 1 2 341.293 3.059 20 30 EGEDLO C#CCCCCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=C)Br ZINC001752817225 1440218661 /nfs/dbraw/zinc/21/86/61/1440218661.db2.gz WJARASWODIWTQS-OAHLLOKOSA-N 1 2 341.293 3.059 20 30 EGEDLO CC(C)SCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001752818316 1440219075 /nfs/dbraw/zinc/21/90/75/1440219075.db2.gz ZTFNEBNMACNVKY-GOSISDBHSA-N 1 2 345.512 3.171 20 30 EGEDLO CC(C)SCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001752818316 1440219076 /nfs/dbraw/zinc/21/90/76/1440219076.db2.gz ZTFNEBNMACNVKY-GOSISDBHSA-N 1 2 345.512 3.171 20 30 EGEDLO C[N@H+](CCNC(=O)c1cccc(F)c1Cl)Cc1ccccc1C#N ZINC001753065145 1440284932 /nfs/dbraw/zinc/28/49/32/1440284932.db2.gz FXMQRPNCRRLSQG-UHFFFAOYSA-N 1 2 345.805 3.213 20 30 EGEDLO C[N@@H+](CCNC(=O)c1cccc(F)c1Cl)Cc1ccccc1C#N ZINC001753065145 1440284933 /nfs/dbraw/zinc/28/49/33/1440284933.db2.gz FXMQRPNCRRLSQG-UHFFFAOYSA-N 1 2 345.805 3.213 20 30 EGEDLO CC[N@H+](CCNC(=O)C[C@@H]1CCC[C@@H]1C)Cc1cc(F)ccc1C#N ZINC001753082819 1440294787 /nfs/dbraw/zinc/29/47/87/1440294787.db2.gz SDBKAAAEEHAIRN-HOTGVXAUSA-N 1 2 345.462 3.462 20 30 EGEDLO CC[N@@H+](CCNC(=O)C[C@@H]1CCC[C@@H]1C)Cc1cc(F)ccc1C#N ZINC001753082819 1440294788 /nfs/dbraw/zinc/29/47/88/1440294788.db2.gz SDBKAAAEEHAIRN-HOTGVXAUSA-N 1 2 345.462 3.462 20 30 EGEDLO CC(C)CCC(=O)NCC[N@H+](Cc1cc(F)ccc1C#N)C1CC1 ZINC001753152078 1440328697 /nfs/dbraw/zinc/32/86/97/1440328697.db2.gz WZKPTLVYOFQHGS-UHFFFAOYSA-N 1 2 331.435 3.214 20 30 EGEDLO CC(C)CCC(=O)NCC[N@@H+](Cc1cc(F)ccc1C#N)C1CC1 ZINC001753152078 1440328698 /nfs/dbraw/zinc/32/86/98/1440328698.db2.gz WZKPTLVYOFQHGS-UHFFFAOYSA-N 1 2 331.435 3.214 20 30 EGEDLO Cc1cnc(C[NH2+][C@@H](CNC(=O)C#CC(C)C)c2ccccc2)s1 ZINC001753298347 1440353160 /nfs/dbraw/zinc/35/31/60/1440353160.db2.gz DQFKXYLXCOMPGM-KRWDZBQOSA-N 1 2 341.480 3.058 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@H]([NH2+]Cc1cnns1)c1ccccc1 ZINC001753299477 1440353632 /nfs/dbraw/zinc/35/36/32/1440353632.db2.gz XOXTYIWZVIUNJA-INIZCTEOSA-N 1 2 344.484 3.088 20 30 EGEDLO CCCCC1(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001753409576 1440392860 /nfs/dbraw/zinc/39/28/60/1440392860.db2.gz STWDAWGZSNVFFJ-UHFFFAOYSA-N 1 2 343.446 3.216 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001753442469 1440402264 /nfs/dbraw/zinc/40/22/64/1440402264.db2.gz DBRKAIZMRBPVBD-OAHLLOKOSA-N 1 2 345.487 3.188 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001753442469 1440402265 /nfs/dbraw/zinc/40/22/65/1440402265.db2.gz DBRKAIZMRBPVBD-OAHLLOKOSA-N 1 2 345.487 3.188 20 30 EGEDLO C=CCC1(C(=O)NC[C@H]2C[N@H+](Cc3csc(C)c3)CCO2)CCC1 ZINC001753652214 1440456776 /nfs/dbraw/zinc/45/67/76/1440456776.db2.gz CLOVZWSXDGCCLE-KRWDZBQOSA-N 1 2 348.512 3.120 20 30 EGEDLO C=CCC1(C(=O)NC[C@H]2C[N@@H+](Cc3csc(C)c3)CCO2)CCC1 ZINC001753652214 1440456777 /nfs/dbraw/zinc/45/67/77/1440456777.db2.gz CLOVZWSXDGCCLE-KRWDZBQOSA-N 1 2 348.512 3.120 20 30 EGEDLO C=C(C)CCC(=O)N1CCC2(C[NH+]([C@@H](C)c3ncc(C)o3)C2)CC1 ZINC001753673654 1440462791 /nfs/dbraw/zinc/46/27/91/1440462791.db2.gz QTGAPLQHOBROME-INIZCTEOSA-N 1 2 331.460 3.325 20 30 EGEDLO Cc1csc(C(=O)N(C)CC[N@H+](C)Cc2ccc(C#N)cc2F)c1 ZINC001753852114 1440507451 /nfs/dbraw/zinc/50/74/51/1440507451.db2.gz BLUWTHUDGOFQBN-UHFFFAOYSA-N 1 2 345.443 3.271 20 30 EGEDLO Cc1csc(C(=O)N(C)CC[N@@H+](C)Cc2ccc(C#N)cc2F)c1 ZINC001753852114 1440507452 /nfs/dbraw/zinc/50/74/52/1440507452.db2.gz BLUWTHUDGOFQBN-UHFFFAOYSA-N 1 2 345.443 3.271 20 30 EGEDLO C[C@H]1CCC[C@H]1CC(=O)N(C)CC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001753853923 1440508030 /nfs/dbraw/zinc/50/80/30/1440508030.db2.gz PYUCZWASDMHRCD-RDJZCZTQSA-N 1 2 345.462 3.414 20 30 EGEDLO C[C@H]1CCC[C@H]1CC(=O)N(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001753853923 1440508031 /nfs/dbraw/zinc/50/80/31/1440508031.db2.gz PYUCZWASDMHRCD-RDJZCZTQSA-N 1 2 345.462 3.414 20 30 EGEDLO CCC1(C(=O)N(C)CC[N@H+](C)Cc2ccc(C#N)cc2F)CCC1 ZINC001753861010 1440511610 /nfs/dbraw/zinc/51/16/10/1440511610.db2.gz RBZJINLPWKLBPY-UHFFFAOYSA-N 1 2 331.435 3.168 20 30 EGEDLO CCC1(C(=O)N(C)CC[N@@H+](C)Cc2ccc(C#N)cc2F)CCC1 ZINC001753861010 1440511611 /nfs/dbraw/zinc/51/16/11/1440511611.db2.gz RBZJINLPWKLBPY-UHFFFAOYSA-N 1 2 331.435 3.168 20 30 EGEDLO CC1(CC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)c(F)c2)CCCC1 ZINC001754483815 1440608117 /nfs/dbraw/zinc/60/81/17/1440608117.db2.gz OZTNGJOJTXCIII-KRWDZBQOSA-N 1 2 343.446 3.358 20 30 EGEDLO CC1(CC(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)c(F)c2)CCCC1 ZINC001754483815 1440608118 /nfs/dbraw/zinc/60/81/18/1440608118.db2.gz OZTNGJOJTXCIII-KRWDZBQOSA-N 1 2 343.446 3.358 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H]2CC[N@@H+]2[C@@H]2CCc3c2cc(F)cc3F)C1 ZINC001754494117 1440611182 /nfs/dbraw/zinc/61/11/82/1440611182.db2.gz LNELQCUGTWIZJS-KBXCAEBGSA-N 1 2 346.421 3.499 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H]2CC[N@H+]2[C@@H]2CCc3c2cc(F)cc3F)C1 ZINC001754494117 1440611183 /nfs/dbraw/zinc/61/11/83/1440611183.db2.gz LNELQCUGTWIZJS-KBXCAEBGSA-N 1 2 346.421 3.499 20 30 EGEDLO CCCC(C)(C)C(=O)N(C)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001754580755 1440638685 /nfs/dbraw/zinc/63/86/85/1440638685.db2.gz LGZHSRUAMPMIAE-UHFFFAOYSA-N 1 2 343.471 3.058 20 30 EGEDLO C#CCN(C(=O)[C@@H](C)[C@H](C)CC)C1CC[NH+](Cc2ncc(C)o2)CC1 ZINC001754642294 1440649289 /nfs/dbraw/zinc/64/92/89/1440649289.db2.gz VAUCHKZIAQCQSK-WBVHZDCISA-N 1 2 345.487 3.091 20 30 EGEDLO C=CCCC(=O)N[C@H](C[NH2+]Cc1nc(C(C)(C)C)no1)C1CCCC1 ZINC001754646906 1440650601 /nfs/dbraw/zinc/65/06/01/1440650601.db2.gz VFGGCLRPBIZYPK-OAHLLOKOSA-N 1 2 348.491 3.098 20 30 EGEDLO CCCCCCC[N@@H+]1CC[C@](C)(NC(=O)C(F)C(F)(F)F)C1 ZINC001754673449 1440659089 /nfs/dbraw/zinc/65/90/89/1440659089.db2.gz APOSJFAHMOUUQV-OCCSQVGLSA-N 1 2 326.378 3.438 20 30 EGEDLO CCCCCCC[N@H+]1CC[C@](C)(NC(=O)C(F)C(F)(F)F)C1 ZINC001754673449 1440659090 /nfs/dbraw/zinc/65/90/90/1440659090.db2.gz APOSJFAHMOUUQV-OCCSQVGLSA-N 1 2 326.378 3.438 20 30 EGEDLO CCCCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001754673449 1440659091 /nfs/dbraw/zinc/65/90/91/1440659091.db2.gz APOSJFAHMOUUQV-OCCSQVGLSA-N 1 2 326.378 3.438 20 30 EGEDLO CCCCCCC[N@H+]1CC[C@](C)(NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001754673449 1440659092 /nfs/dbraw/zinc/65/90/92/1440659092.db2.gz APOSJFAHMOUUQV-OCCSQVGLSA-N 1 2 326.378 3.438 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCC1(C)CC[NH+](Cc2cc(C)no2)CC1 ZINC001754720355 1440673030 /nfs/dbraw/zinc/67/30/30/1440673030.db2.gz MTXPCETWXIVDPO-IBGZPJMESA-N 1 2 333.476 3.304 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3Cc2cc(C)on2)CCC1 ZINC001754868282 1440703900 /nfs/dbraw/zinc/70/39/00/1440703900.db2.gz KJKQIVJYTOPHHE-ROUUACIJSA-N 1 2 343.471 3.295 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3Cc2cc(C)on2)CCC1 ZINC001754868282 1440703901 /nfs/dbraw/zinc/70/39/01/1440703901.db2.gz KJKQIVJYTOPHHE-ROUUACIJSA-N 1 2 343.471 3.295 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1COCC[N@@H+]1CC/C=C/c1ccccc1 ZINC001754967153 1440718346 /nfs/dbraw/zinc/71/83/46/1440718346.db2.gz BMUKFEUNPAYOMT-FXVWLTTGSA-N 1 2 342.483 3.263 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H]1COCC[N@H+]1CC/C=C/c1ccccc1 ZINC001754967153 1440718347 /nfs/dbraw/zinc/71/83/47/1440718347.db2.gz BMUKFEUNPAYOMT-FXVWLTTGSA-N 1 2 342.483 3.263 20 30 EGEDLO C=CCC(C)(C)C(=O)NCC1([NH2+]Cc2ncc(C3CC3)o2)CCC1 ZINC001754986834 1440722998 /nfs/dbraw/zinc/72/29/98/1440722998.db2.gz WOHXARYOAOMWKQ-UHFFFAOYSA-N 1 2 331.460 3.283 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1Cc2ccccc2C[N@@H+]1C/C=C\Cl ZINC001755075423 1440748328 /nfs/dbraw/zinc/74/83/28/1440748328.db2.gz GKUHOOZOEUDZJN-CGQZWFTASA-N 1 2 332.875 3.494 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1Cc2ccccc2C[N@H+]1C/C=C\Cl ZINC001755075423 1440748329 /nfs/dbraw/zinc/74/83/29/1440748329.db2.gz GKUHOOZOEUDZJN-CGQZWFTASA-N 1 2 332.875 3.494 20 30 EGEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C(C)(CC)CC ZINC001755075804 1440748517 /nfs/dbraw/zinc/74/85/17/1440748517.db2.gz NIOVSCJIRVNNSI-LJQANCHMSA-N 1 2 326.484 3.379 20 30 EGEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C(C)(CC)CC ZINC001755075804 1440748518 /nfs/dbraw/zinc/74/85/18/1440748518.db2.gz NIOVSCJIRVNNSI-LJQANCHMSA-N 1 2 326.484 3.379 20 30 EGEDLO CC(C)CC(=O)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@H](C)C1 ZINC001755157540 1440763614 /nfs/dbraw/zinc/76/36/14/1440763614.db2.gz JIRLPJJHAYXFDO-RDTXWAMCSA-N 1 2 331.435 3.213 20 30 EGEDLO CC(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@H](C)C1 ZINC001755157540 1440763615 /nfs/dbraw/zinc/76/36/15/1440763615.db2.gz JIRLPJJHAYXFDO-RDTXWAMCSA-N 1 2 331.435 3.213 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(=C)Br ZINC001755191389 1440774939 /nfs/dbraw/zinc/77/49/39/1440774939.db2.gz KYNBQIBHZMPQOO-OAHLLOKOSA-N 1 2 341.293 3.011 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@@H]1C[N@H+](C)CC(=C)Br ZINC001755191389 1440774940 /nfs/dbraw/zinc/77/49/40/1440774940.db2.gz KYNBQIBHZMPQOO-OAHLLOKOSA-N 1 2 341.293 3.011 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nc(C2CCCC2)no1 ZINC001755238389 1440788811 /nfs/dbraw/zinc/78/88/11/1440788811.db2.gz VRMUOCNBIZEVGG-KGLIPLIRSA-N 1 2 334.464 3.066 20 30 EGEDLO C=CC1(CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2nnc(CC)o2)CCCCC1 ZINC001755257785 1440793750 /nfs/dbraw/zinc/79/37/50/1440793750.db2.gz VEGBCPWSKNWNHS-GJZGRUSLSA-N 1 2 348.491 3.141 20 30 EGEDLO CCc1nc(C[N@@H+]2CCCCC[C@H]2CNC(=O)C#CC(C)C)cs1 ZINC001755364600 1440833515 /nfs/dbraw/zinc/83/35/15/1440833515.db2.gz WRSVJNATURINAB-KRWDZBQOSA-N 1 2 347.528 3.226 20 30 EGEDLO CCc1nc(C[N@H+]2CCCCC[C@H]2CNC(=O)C#CC(C)C)cs1 ZINC001755364600 1440833516 /nfs/dbraw/zinc/83/35/16/1440833516.db2.gz WRSVJNATURINAB-KRWDZBQOSA-N 1 2 347.528 3.226 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccn(C(C)C)n2)[C@H]1C ZINC001755717728 1440905756 /nfs/dbraw/zinc/90/57/56/1440905756.db2.gz IDMAEDQHFUMSCN-FUHWJXTLSA-N 1 2 332.492 3.289 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccn(C(C)C)n2)[C@H]1C ZINC001755717728 1440905757 /nfs/dbraw/zinc/90/57/57/1440905757.db2.gz IDMAEDQHFUMSCN-FUHWJXTLSA-N 1 2 332.492 3.289 20 30 EGEDLO C#CCCCC(=O)N(CC[N@H+](C)Cc1nc2ccccc2o1)C(C)C ZINC001755810534 1440919860 /nfs/dbraw/zinc/91/98/60/1440919860.db2.gz KSTMMBWFVFCMQD-UHFFFAOYSA-N 1 2 341.455 3.300 20 30 EGEDLO C#CCCCC(=O)N(CC[N@@H+](C)Cc1nc2ccccc2o1)C(C)C ZINC001755810534 1440919861 /nfs/dbraw/zinc/91/98/61/1440919861.db2.gz KSTMMBWFVFCMQD-UHFFFAOYSA-N 1 2 341.455 3.300 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)C[C@@H](C)n1cccc1)C(C)C ZINC001755817030 1440923949 /nfs/dbraw/zinc/92/39/49/1440923949.db2.gz AADOUYZHGLMVKK-MRXNPFEDSA-N 1 2 325.884 3.361 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)C[C@@H](C)n1cccc1)C(C)C ZINC001755817030 1440923950 /nfs/dbraw/zinc/92/39/50/1440923950.db2.gz AADOUYZHGLMVKK-MRXNPFEDSA-N 1 2 325.884 3.361 20 30 EGEDLO C=CCC[C@H](C)[NH2+]C[C@@H](NC(=O)c1ccc2nc[nH]c2n1)C(C)(C)C ZINC001755826788 1440927483 /nfs/dbraw/zinc/92/74/83/1440927483.db2.gz XURYGWUXUOQOBX-XJKSGUPXSA-N 1 2 343.475 3.047 20 30 EGEDLO C=CC(C)(C)C(=O)NCC1=CC[N@H+](Cc2ccc(Cl)nc2)CC1 ZINC001755891261 1440941548 /nfs/dbraw/zinc/94/15/48/1440941548.db2.gz XMVYVHXRDVKARR-UHFFFAOYSA-N 1 2 333.863 3.196 20 30 EGEDLO C=CC(C)(C)C(=O)NCC1=CC[N@@H+](Cc2ccc(Cl)nc2)CC1 ZINC001755891261 1440941549 /nfs/dbraw/zinc/94/15/49/1440941549.db2.gz XMVYVHXRDVKARR-UHFFFAOYSA-N 1 2 333.863 3.196 20 30 EGEDLO C=CC[NH+]1CCN(C(F)(F)c2ccc3cnc(Cl)nc3c2)CC1 ZINC001165031856 721868146 /nfs/dbraw/zinc/86/81/46/721868146.db2.gz BQCBTLOAYQFWDS-UHFFFAOYSA-N 1 2 338.789 3.136 20 30 EGEDLO C=CC[NH+]1CCN(C(F)(F)C2(c3ccc(Cl)nc3)CC2)CC1 ZINC001165035578 721873521 /nfs/dbraw/zinc/87/35/21/721873521.db2.gz VZSAXJKVJOGIIK-UHFFFAOYSA-N 1 2 327.806 3.163 20 30 EGEDLO C[C@@H](c1nccs1)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000187724416 236284799 /nfs/dbraw/zinc/28/47/99/236284799.db2.gz FDFXVOBSEOZZIP-GJZGRUSLSA-N 1 2 326.469 3.455 20 30 EGEDLO C[C@@H](c1cccc(NC(=O)c2cccc(C#N)c2)c1)[NH+]1CCOCC1 ZINC000264227605 246212476 /nfs/dbraw/zinc/21/24/76/246212476.db2.gz LQVYXFVNKWKBGQ-HNNXBMFYSA-N 1 2 335.407 3.204 20 30 EGEDLO C[C@@H](NC(=O)NCCCCNc1cccc[nH+]1)c1ccc(C#N)cc1 ZINC000264280574 246285541 /nfs/dbraw/zinc/28/55/41/246285541.db2.gz WTDCEEUMRBMWNP-OAHLLOKOSA-N 1 2 337.427 3.206 20 30 EGEDLO Cc1nc(C(C)(C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)sc1C ZINC000095432220 218374781 /nfs/dbraw/zinc/37/47/81/218374781.db2.gz BBQSOYGJKPYHGH-UHFFFAOYSA-N 1 2 346.456 3.305 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000268673932 252127271 /nfs/dbraw/zinc/12/72/71/252127271.db2.gz KUEQOKVUYQUGQL-ICSRJNTNSA-N 1 2 340.398 3.022 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000268673932 252127278 /nfs/dbraw/zinc/12/72/78/252127278.db2.gz KUEQOKVUYQUGQL-ICSRJNTNSA-N 1 2 340.398 3.022 20 30 EGEDLO Cc1ccoc1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000119667147 221372580 /nfs/dbraw/zinc/37/25/80/221372580.db2.gz DRROKCJCJNOFPQ-UHFFFAOYSA-N 1 2 338.367 3.030 20 30 EGEDLO COc1cc(C#N)ccc1C[N@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000179655249 533494299 /nfs/dbraw/zinc/49/42/99/533494299.db2.gz WRPKTCVNPAULNX-UHFFFAOYSA-N 1 2 337.423 3.254 20 30 EGEDLO COc1cc(C#N)ccc1C[N@@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000179655249 533494303 /nfs/dbraw/zinc/49/43/03/533494303.db2.gz WRPKTCVNPAULNX-UHFFFAOYSA-N 1 2 337.423 3.254 20 30 EGEDLO C[C@H]1C[C@H](c2cccnc2)[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000364104166 144392674 /nfs/dbraw/zinc/39/26/74/144392674.db2.gz SSMJWQYGLJFVHS-SWLSCSKDSA-N 1 2 326.425 3.036 20 30 EGEDLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000364104166 144392675 /nfs/dbraw/zinc/39/26/75/144392675.db2.gz SSMJWQYGLJFVHS-SWLSCSKDSA-N 1 2 326.425 3.036 20 30 EGEDLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000364104165 144392915 /nfs/dbraw/zinc/39/29/15/144392915.db2.gz SSMJWQYGLJFVHS-IUODEOHRSA-N 1 2 326.425 3.036 20 30 EGEDLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000364104165 144392917 /nfs/dbraw/zinc/39/29/17/144392917.db2.gz SSMJWQYGLJFVHS-IUODEOHRSA-N 1 2 326.425 3.036 20 30 EGEDLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000364104163 144393020 /nfs/dbraw/zinc/39/30/20/144393020.db2.gz SSMJWQYGLJFVHS-DOMZBBRYSA-N 1 2 326.425 3.036 20 30 EGEDLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000364104163 144393021 /nfs/dbraw/zinc/39/30/21/144393021.db2.gz SSMJWQYGLJFVHS-DOMZBBRYSA-N 1 2 326.425 3.036 20 30 EGEDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000341090545 155152741 /nfs/dbraw/zinc/15/27/41/155152741.db2.gz BKOBMTOOFSQYCI-ZBEGNZNMSA-N 1 2 345.349 3.037 20 30 EGEDLO COc1cccc(N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)c1 ZINC000191882053 153227178 /nfs/dbraw/zinc/22/71/78/153227178.db2.gz QLDVXQMNRWURMF-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO COc1cc2c(cc1OC)C[N@H+](Cc1ccc(C#N)c(F)c1)CC2 ZINC000191911813 153231131 /nfs/dbraw/zinc/23/11/31/153231131.db2.gz YXMNWJFEWZSMER-UHFFFAOYSA-N 1 2 326.371 3.273 20 30 EGEDLO COc1cc2c(cc1OC)C[N@@H+](Cc1ccc(C#N)c(F)c1)CC2 ZINC000191911813 153231134 /nfs/dbraw/zinc/23/11/34/153231134.db2.gz YXMNWJFEWZSMER-UHFFFAOYSA-N 1 2 326.371 3.273 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000192991278 153272233 /nfs/dbraw/zinc/27/22/33/153272233.db2.gz PGFGFOBCNZIPIA-UHFFFAOYSA-N 1 2 341.411 3.487 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000192991278 153272239 /nfs/dbraw/zinc/27/22/39/153272239.db2.gz PGFGFOBCNZIPIA-UHFFFAOYSA-N 1 2 341.411 3.487 20 30 EGEDLO Cc1noc([C@@H]([NH2+]Cc2ccc(C#N)cc2Cl)C2CCOCC2)n1 ZINC000345845622 164278569 /nfs/dbraw/zinc/27/85/69/164278569.db2.gz IALQMOQCPHIEQI-INIZCTEOSA-N 1 2 346.818 3.161 20 30 EGEDLO C[N@H+](CCOc1ccc(C#N)cc1)Cc1nc(-c2cccs2)no1 ZINC000352352270 165358536 /nfs/dbraw/zinc/35/85/36/165358536.db2.gz GFDADMHARFPYIU-UHFFFAOYSA-N 1 2 340.408 3.181 20 30 EGEDLO C[N@@H+](CCOc1ccc(C#N)cc1)Cc1nc(-c2cccs2)no1 ZINC000352352270 165358538 /nfs/dbraw/zinc/35/85/38/165358538.db2.gz GFDADMHARFPYIU-UHFFFAOYSA-N 1 2 340.408 3.181 20 30 EGEDLO CNc1ccc(C#N)cc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000355649972 166271991 /nfs/dbraw/zinc/27/19/91/166271991.db2.gz IKMNTZCRBDFOFW-UHFFFAOYSA-N 1 2 331.379 3.097 20 30 EGEDLO CN(CCCn1cc[nH+]c1)c1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000359549561 167189891 /nfs/dbraw/zinc/18/98/91/167189891.db2.gz DNJAPTPARKHDNX-UHFFFAOYSA-N 1 2 348.454 3.207 20 30 EGEDLO N#Cc1cc(Br)ccc1CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000367864734 168277484 /nfs/dbraw/zinc/27/74/84/168277484.db2.gz BTCANGPXYUMXLA-AWEZNQCLSA-N 1 2 331.217 3.381 20 30 EGEDLO N#Cc1cc(F)c(NCC2([NH+]3CCOCC3)CCCCC2)c(F)c1 ZINC000301090320 269952377 /nfs/dbraw/zinc/95/23/77/269952377.db2.gz HPXHTUDOKZGGPU-UHFFFAOYSA-N 1 2 335.398 3.283 20 30 EGEDLO N#Cc1ccc(F)c(CN(CC[NH+]2CCOCC2)c2ccccc2)c1 ZINC000174686153 265064586 /nfs/dbraw/zinc/06/45/86/265064586.db2.gz YSHIWKMIBJUVRL-UHFFFAOYSA-N 1 2 339.414 3.036 20 30 EGEDLO CCC(CC)n1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)n1 ZINC000446839887 270052561 /nfs/dbraw/zinc/05/25/61/270052561.db2.gz VTYOWEALCUVESB-UHFFFAOYSA-N 1 2 337.471 3.438 20 30 EGEDLO COc1ccc2c(c1)CCC[N@@H+](CC(=O)Nc1sccc1C#N)C2 ZINC000533270603 270060621 /nfs/dbraw/zinc/06/06/21/270060621.db2.gz JTOLTQCHUQCREH-UHFFFAOYSA-N 1 2 341.436 3.015 20 30 EGEDLO COc1ccc2c(c1)CCC[N@H+](CC(=O)Nc1sccc1C#N)C2 ZINC000533270603 270060622 /nfs/dbraw/zinc/06/06/22/270060622.db2.gz JTOLTQCHUQCREH-UHFFFAOYSA-N 1 2 341.436 3.015 20 30 EGEDLO C[C@@H]1CN(c2ccc(CNc3c(C#N)cccc3C#N)c[nH+]2)C[C@H](C)O1 ZINC000302843243 267063263 /nfs/dbraw/zinc/06/32/63/267063263.db2.gz MWEWZYJMDVUVBB-GASCZTMLSA-N 1 2 347.422 3.051 20 30 EGEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000459111936 267257310 /nfs/dbraw/zinc/25/73/10/267257310.db2.gz MCMIEQKFDGWHSL-OAHLLOKOSA-N 1 2 339.443 3.456 20 30 EGEDLO Cc1c(C#N)cccc1NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000178570190 267285787 /nfs/dbraw/zinc/28/57/87/267285787.db2.gz ZZRKVZIAQBSKPT-UHFFFAOYSA-N 1 2 335.411 3.184 20 30 EGEDLO Cc1cc2[nH+]cn(C[C@H](O)COc3cc(F)cc(C#N)c3)c2cc1C ZINC000290021563 267367266 /nfs/dbraw/zinc/36/72/66/267367266.db2.gz GFYVEJFZNMAGMU-INIZCTEOSA-N 1 2 339.370 3.104 20 30 EGEDLO Cc1ccc(C#N)cc1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000194587266 267387429 /nfs/dbraw/zinc/38/74/29/267387429.db2.gz ZMYJBKUPSXMZHT-UHFFFAOYSA-N 1 2 345.406 3.433 20 30 EGEDLO Cc1ccc2[nH+]c(CNC(=O)N(C)[C@H](C)c3cccc(C#N)c3)cn2c1 ZINC000425665314 268047551 /nfs/dbraw/zinc/04/75/51/268047551.db2.gz WJFUBDYJDULEHL-OAHLLOKOSA-N 1 2 347.422 3.417 20 30 EGEDLO Cc1nc(C(C)C)oc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000428441297 268073721 /nfs/dbraw/zinc/07/37/21/268073721.db2.gz HEKOQBJDHOEBDK-UHFFFAOYSA-N 1 2 338.455 3.296 20 30 EGEDLO Cc1nc(C(C)C)oc1C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000428441297 268073724 /nfs/dbraw/zinc/07/37/24/268073724.db2.gz HEKOQBJDHOEBDK-UHFFFAOYSA-N 1 2 338.455 3.296 20 30 EGEDLO Cc1[nH+]c2cc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)ccc2n1C ZINC000527467799 268079368 /nfs/dbraw/zinc/07/93/68/268079368.db2.gz JPXNPFBQBBDFOC-MRXNPFEDSA-N 1 2 343.390 3.074 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435045298 268081070 /nfs/dbraw/zinc/08/10/70/268081070.db2.gz XOKGLOSBEJEIOP-UHFFFAOYSA-N 1 2 344.418 3.064 20 30 EGEDLO N#Cc1ccc(NCCc2[nH]c3ccc(F)cc3[nH+]2)c([N+](=O)[O-])c1 ZINC000301566305 268155490 /nfs/dbraw/zinc/15/54/90/268155490.db2.gz VSRULYPJOMDARJ-UHFFFAOYSA-N 1 2 325.303 3.136 20 30 EGEDLO N#Cc1cc(Oc2ccc(NC(=O)C=Cc3c[nH]c[nH+]3)cc2)ccn1 ZINC000493016564 268189889 /nfs/dbraw/zinc/18/98/89/268189889.db2.gz MBUUAYNVDMRSPE-ZZXKWVIFSA-N 1 2 331.335 3.121 20 30 EGEDLO N#Cc1ccc([N+](=O)[O-])c(NCCc2[nH]c3ccc(F)cc3[nH+]2)c1 ZINC000302219703 268216950 /nfs/dbraw/zinc/21/69/50/268216950.db2.gz RJAUZHAOSFZKJC-UHFFFAOYSA-N 1 2 325.303 3.136 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCc4ccc(F)cc4C3)o2)c1 ZINC000441045209 268264961 /nfs/dbraw/zinc/26/49/61/268264961.db2.gz KZZLWXQCLOTDNW-UHFFFAOYSA-N 1 2 334.354 3.306 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCc4ccc(F)cc4C3)o2)c1 ZINC000441045209 268264962 /nfs/dbraw/zinc/26/49/62/268264962.db2.gz KZZLWXQCLOTDNW-UHFFFAOYSA-N 1 2 334.354 3.306 20 30 EGEDLO N#Cc1ccccc1N1CCN(c2nc(C3CC3)[nH+]c3c2CCC3)CC1 ZINC000329142493 268276596 /nfs/dbraw/zinc/27/65/96/268276596.db2.gz UZOWMFFSTJSMTH-UHFFFAOYSA-N 1 2 345.450 3.041 20 30 EGEDLO Cc1cc[nH+]c(C)c1NC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000287584026 276136322 /nfs/dbraw/zinc/13/63/22/276136322.db2.gz QYUWDCFFNAEWPV-UHFFFAOYSA-N 1 2 349.438 3.314 20 30 EGEDLO CC(C)c1[nH+]c2c(n1C)CCN(c1nc(C(F)(F)F)ccc1C#N)C2 ZINC000115517951 278076179 /nfs/dbraw/zinc/07/61/79/278076179.db2.gz SBGSJCAGACLKCB-UHFFFAOYSA-N 1 2 349.360 3.392 20 30 EGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)/C=C\c2cccc(C#N)c2)c1C ZINC000255636786 308056314 /nfs/dbraw/zinc/05/63/14/308056314.db2.gz FGMUHWCRVRQJHA-HJWRWDBZSA-N 1 2 335.407 3.251 20 30 EGEDLO N#Cc1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)ccc1Cl ZINC000537585099 314191863 /nfs/dbraw/zinc/19/18/63/314191863.db2.gz QVPMOOLLWLJIQU-UHFFFAOYSA-N 1 2 336.782 3.327 20 30 EGEDLO COC(=O)c1cccc(C[NH2+]C2(c3ccc(OC)cc3)CC2)c1C#N ZINC000538158190 314230356 /nfs/dbraw/zinc/23/03/56/314230356.db2.gz BOCAHIWXCQGBIK-UHFFFAOYSA-N 1 2 336.391 3.132 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000079834307 454487836 /nfs/dbraw/zinc/48/78/36/454487836.db2.gz BMTSESDIRNVVCC-UHFFFAOYSA-N 1 2 328.243 3.187 20 30 EGEDLO C=CC[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)Cc1ccc(Cl)s1 ZINC000079853410 454489669 /nfs/dbraw/zinc/48/96/69/454489669.db2.gz GZZATEFMJLOSDC-ZDUSSCGKSA-N 1 2 339.892 3.398 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccnc2)c(C#N)c1C ZINC000553888315 315287114 /nfs/dbraw/zinc/28/71/14/315287114.db2.gz CSYYZIAZIFAFOE-MRXNPFEDSA-N 1 2 340.452 3.407 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccnc2)c(C#N)c1C ZINC000553888315 315287117 /nfs/dbraw/zinc/28/71/17/315287117.db2.gz CSYYZIAZIFAFOE-MRXNPFEDSA-N 1 2 340.452 3.407 20 30 EGEDLO Cn1c[nH+]cc1CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000554496190 315323454 /nfs/dbraw/zinc/32/34/54/315323454.db2.gz YMVQQHYEQHZCIW-UHFFFAOYSA-N 1 2 332.363 3.265 20 30 EGEDLO N#Cc1cc(F)c(NCCNc2cccc[nH+]2)cc1Br ZINC000571191370 317164688 /nfs/dbraw/zinc/16/46/88/317164688.db2.gz WHUQTRUFYXVEHL-UHFFFAOYSA-N 1 2 335.180 3.379 20 30 EGEDLO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1nc(COc3ccccc3)n[nH]1)CC2 ZINC000571573514 317218153 /nfs/dbraw/zinc/21/81/53/317218153.db2.gz SGBLHJAXBPKVCL-SFHVURJKSA-N 1 2 345.406 3.032 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)c2[nH+]ccn21 ZINC000577342727 324788040 /nfs/dbraw/zinc/78/80/40/324788040.db2.gz CILIHIWGXXHOGB-BXKDBHETSA-N 1 2 347.325 3.184 20 30 EGEDLO CCn1cc[nH+]c1[C@H](C)Nc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000578723826 325008332 /nfs/dbraw/zinc/00/83/32/325008332.db2.gz AIUCZLOBTAOCRV-AWEZNQCLSA-N 1 2 348.454 3.295 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000578929410 325037202 /nfs/dbraw/zinc/03/72/02/325037202.db2.gz ULBXISZGCUWPPF-CQSZACIVSA-N 1 2 347.418 3.138 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000578929410 325037208 /nfs/dbraw/zinc/03/72/08/325037208.db2.gz ULBXISZGCUWPPF-CQSZACIVSA-N 1 2 347.418 3.138 20 30 EGEDLO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000579489017 325118416 /nfs/dbraw/zinc/11/84/16/325118416.db2.gz FRPLGANHIVMRJZ-OAQYLSRUSA-N 1 2 349.434 3.094 20 30 EGEDLO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000579489017 325118418 /nfs/dbraw/zinc/11/84/18/325118418.db2.gz FRPLGANHIVMRJZ-OAQYLSRUSA-N 1 2 349.434 3.094 20 30 EGEDLO COC(=O)c1cccc(C[N@H+](C)Cc2cc(C)ccc2F)c1C#N ZINC000581923180 325398973 /nfs/dbraw/zinc/39/89/73/325398973.db2.gz USJOANPQTDYDFJ-UHFFFAOYSA-N 1 2 326.371 3.424 20 30 EGEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2cc(C)ccc2F)c1C#N ZINC000581923180 325398975 /nfs/dbraw/zinc/39/89/75/325398975.db2.gz USJOANPQTDYDFJ-UHFFFAOYSA-N 1 2 326.371 3.424 20 30 EGEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000264544168 455234008 /nfs/dbraw/zinc/23/40/08/455234008.db2.gz NMSYEPPPNVXNFO-UONOGXRCSA-N 1 2 343.456 3.345 20 30 EGEDLO N#CCOc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000264545842 455234083 /nfs/dbraw/zinc/23/40/83/455234083.db2.gz JMNFDYPLDUXPFJ-IBGZPJMESA-N 1 2 326.371 3.302 20 30 EGEDLO N#CCOc1ccc(C[N@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000264545842 455234087 /nfs/dbraw/zinc/23/40/87/455234087.db2.gz JMNFDYPLDUXPFJ-IBGZPJMESA-N 1 2 326.371 3.302 20 30 EGEDLO N#Cc1ccc(CNc2[nH]c3ccc(Br)cc3[nH+]2)s1 ZINC000566658747 458977775 /nfs/dbraw/zinc/97/77/75/458977775.db2.gz VTRRTNBLQIBJNJ-UHFFFAOYSA-N 1 2 333.214 3.293 20 30 EGEDLO N#Cc1ccc(CNc2[nH]c3cc(Br)ccc3[nH+]2)s1 ZINC000566658747 458977784 /nfs/dbraw/zinc/97/77/84/458977784.db2.gz VTRRTNBLQIBJNJ-UHFFFAOYSA-N 1 2 333.214 3.293 20 30 EGEDLO C[C@@H]1CN(c2ccc(CNc3c(Cl)cccc3C#N)c[nH+]2)CCO1 ZINC000264618435 455249154 /nfs/dbraw/zinc/24/91/54/455249154.db2.gz HMHMZAONXQGHMA-CYBMUJFWSA-N 1 2 342.830 3.444 20 30 EGEDLO Cc1nc(C[NH+]2CCN(c3ccc(Cl)cc3C#N)CC2)oc1C ZINC000264737550 455273407 /nfs/dbraw/zinc/27/34/07/455273407.db2.gz JWZWDWWVDRXOOV-UHFFFAOYSA-N 1 2 330.819 3.139 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000158395623 455299300 /nfs/dbraw/zinc/29/93/00/455299300.db2.gz APIBRNYKPDKQKF-UHFFFAOYSA-N 1 2 337.398 3.045 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000158395623 455299302 /nfs/dbraw/zinc/29/93/02/455299302.db2.gz APIBRNYKPDKQKF-UHFFFAOYSA-N 1 2 337.398 3.045 20 30 EGEDLO C=C(Cl)CNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000265476067 455331664 /nfs/dbraw/zinc/33/16/64/455331664.db2.gz NDDGKJUIGUFUIC-JTQLQIEISA-N 1 2 328.869 3.249 20 30 EGEDLO C=C(Cl)CNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000265476067 455331667 /nfs/dbraw/zinc/33/16/67/455331667.db2.gz NDDGKJUIGUFUIC-JTQLQIEISA-N 1 2 328.869 3.249 20 30 EGEDLO N#Cc1ccccc1CNc1ccc([NH+]2CCCCC2)cc1C(N)=O ZINC000011010318 453309215 /nfs/dbraw/zinc/30/92/15/453309215.db2.gz XPCWWCDWDRGWDY-UHFFFAOYSA-N 1 2 334.423 3.260 20 30 EGEDLO CC(=O)c1ccc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(F)c1 ZINC000012543078 453368878 /nfs/dbraw/zinc/36/88/78/453368878.db2.gz YLJSEWWRLJSVPS-UHFFFAOYSA-N 1 2 337.398 3.222 20 30 EGEDLO C=CC[N@@H+](CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C)Cc1cccs1 ZINC000016395453 453604640 /nfs/dbraw/zinc/60/46/40/453604640.db2.gz KKUMOKNETZCRQC-GOEBONIOSA-N 1 2 349.500 3.141 20 30 EGEDLO C=CC[N@H+](CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C)Cc1cccs1 ZINC000016395453 453604641 /nfs/dbraw/zinc/60/46/41/453604641.db2.gz KKUMOKNETZCRQC-GOEBONIOSA-N 1 2 349.500 3.141 20 30 EGEDLO COc1ccc(C)cc1CN1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000022924229 453702793 /nfs/dbraw/zinc/70/27/93/453702793.db2.gz ICRJFDYIQWEGTF-UHFFFAOYSA-N 1 2 335.451 3.193 20 30 EGEDLO CCCc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000025866052 453788059 /nfs/dbraw/zinc/78/80/59/453788059.db2.gz QUIBYCZSVJOHRI-QGZVFWFLSA-N 1 2 349.434 3.495 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1C(=O)OC)Cc1ccccc1 ZINC000027775377 453820528 /nfs/dbraw/zinc/82/05/28/453820528.db2.gz UAXOWPIQBRCGRI-UHFFFAOYSA-N 1 2 338.407 3.100 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccccc1C(=O)OC)Cc1ccccc1 ZINC000027775377 453820529 /nfs/dbraw/zinc/82/05/29/453820529.db2.gz UAXOWPIQBRCGRI-UHFFFAOYSA-N 1 2 338.407 3.100 20 30 EGEDLO CC[N@@H+](CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)C[C@H](C)C#N ZINC000066424950 453843940 /nfs/dbraw/zinc/84/39/40/453843940.db2.gz PDLZXLAVCWUULY-CABCVRRESA-N 1 2 327.428 3.434 20 30 EGEDLO CC[N@H+](CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)C[C@H](C)C#N ZINC000066424950 453843941 /nfs/dbraw/zinc/84/39/41/453843941.db2.gz PDLZXLAVCWUULY-CABCVRRESA-N 1 2 327.428 3.434 20 30 EGEDLO Cc1cc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)cc[nH+]1 ZINC000066619055 453856311 /nfs/dbraw/zinc/85/63/11/453856311.db2.gz RBSYMZQRSNAOQN-UHFFFAOYSA-N 1 2 336.395 3.056 20 30 EGEDLO CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(Cl)s1 ZINC000032512448 453876676 /nfs/dbraw/zinc/87/66/76/453876676.db2.gz MBUDCJVNSPPSTM-OAHLLOKOSA-N 1 2 325.865 3.032 20 30 EGEDLO CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(Cl)s1 ZINC000032512448 453876678 /nfs/dbraw/zinc/87/66/78/453876678.db2.gz MBUDCJVNSPPSTM-OAHLLOKOSA-N 1 2 325.865 3.032 20 30 EGEDLO Cc1nc(CC(N)=[NH+]OCc2coc(-c3cccc(F)c3)n2)cs1 ZINC000054390992 453927939 /nfs/dbraw/zinc/92/79/39/453927939.db2.gz UCDYCGLAQJOBOS-UHFFFAOYSA-N 1 2 346.387 3.277 20 30 EGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000054537994 453934104 /nfs/dbraw/zinc/93/41/04/453934104.db2.gz GXXVVVRXNBZFEI-UHFFFAOYSA-N 1 2 349.394 3.315 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)N1CCCCCC1 ZINC000076153985 453972500 /nfs/dbraw/zinc/97/25/00/453972500.db2.gz QCHZNSDAVIXBBD-OALUTQOASA-N 1 2 325.456 3.161 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)N1CCCCCC1 ZINC000076153985 453972502 /nfs/dbraw/zinc/97/25/02/453972502.db2.gz QCHZNSDAVIXBBD-OALUTQOASA-N 1 2 325.456 3.161 20 30 EGEDLO CCCc1nc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000042651999 454018576 /nfs/dbraw/zinc/01/85/76/454018576.db2.gz DCCFDWCZZPAOPM-UHFFFAOYSA-N 1 2 340.496 3.285 20 30 EGEDLO C=CCN(Cc1ccccc1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068636530 454041019 /nfs/dbraw/zinc/04/10/19/454041019.db2.gz SHCVFCFQQQFKKC-UHFFFAOYSA-N 1 2 335.451 3.400 20 30 EGEDLO C[C@@H](CC#N)N(C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000086283125 454046103 /nfs/dbraw/zinc/04/61/03/454046103.db2.gz GRJMMIGPVABGKN-HRCADAONSA-N 1 2 344.459 3.062 20 30 EGEDLO C[C@@H](CC#N)N(C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000086283125 454046108 /nfs/dbraw/zinc/04/61/08/454046108.db2.gz GRJMMIGPVABGKN-HRCADAONSA-N 1 2 344.459 3.062 20 30 EGEDLO COc1cc(C#N)ccc1OCCn1c[nH+]c2cc(F)c(F)cc21 ZINC000077238813 454080490 /nfs/dbraw/zinc/08/04/90/454080490.db2.gz ZPKVFKFVMNPFQJ-UHFFFAOYSA-N 1 2 329.306 3.274 20 30 EGEDLO C#Cc1cccc(NC(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)c1 ZINC000043984788 454085347 /nfs/dbraw/zinc/08/53/47/454085347.db2.gz IDWQYZKVVFYXRZ-SFHVURJKSA-N 1 2 348.381 3.452 20 30 EGEDLO C[C@@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000056895630 454089402 /nfs/dbraw/zinc/08/94/02/454089402.db2.gz FIZGMIRWXLQYKU-OAHLLOKOSA-N 1 2 345.406 3.304 20 30 EGEDLO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(F)c(F)c1 ZINC000044437989 454100589 /nfs/dbraw/zinc/10/05/89/454100589.db2.gz IVDKSWYLYOAHDV-UHFFFAOYSA-N 1 2 343.377 3.343 20 30 EGEDLO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(F)c(F)c1 ZINC000044437989 454100594 /nfs/dbraw/zinc/10/05/94/454100594.db2.gz IVDKSWYLYOAHDV-UHFFFAOYSA-N 1 2 343.377 3.343 20 30 EGEDLO COc1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1F ZINC000088523997 454109805 /nfs/dbraw/zinc/10/98/05/454109805.db2.gz ISFRMGBYSHVHHQ-LJQANCHMSA-N 1 2 339.414 3.217 20 30 EGEDLO COc1ccc([NH+]2CCC(Nc3nnc(C)c(C)c3C#N)CC2)cc1 ZINC000058343117 454189840 /nfs/dbraw/zinc/18/98/40/454189840.db2.gz RRKLXBQFKDGRJQ-UHFFFAOYSA-N 1 2 337.427 3.055 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)s1 ZINC000046171346 454224988 /nfs/dbraw/zinc/22/49/88/454224988.db2.gz QDMKXSVSSQUPRI-NHYWBVRUSA-N 1 2 327.881 3.276 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000046171346 454224991 /nfs/dbraw/zinc/22/49/91/454224991.db2.gz QDMKXSVSSQUPRI-NHYWBVRUSA-N 1 2 327.881 3.276 20 30 EGEDLO CC(C)(C)Oc1cc[nH+]cc1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000131919383 454297851 /nfs/dbraw/zinc/29/78/51/454297851.db2.gz JLIXAJNVJLJBRH-UHFFFAOYSA-N 1 2 339.395 3.342 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)Cc1cnn(CC)c1 ZINC000072980714 454375319 /nfs/dbraw/zinc/37/53/19/454375319.db2.gz QFHUPCNBLJRCJR-UHFFFAOYSA-N 1 2 344.484 3.252 20 30 EGEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)Cc1cnn(CC)c1 ZINC000072980714 454375324 /nfs/dbraw/zinc/37/53/24/454375324.db2.gz QFHUPCNBLJRCJR-UHFFFAOYSA-N 1 2 344.484 3.252 20 30 EGEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000096966299 454384315 /nfs/dbraw/zinc/38/43/15/454384315.db2.gz IKDGKVKHFCQGQO-UKRRQHHQSA-N 1 2 342.468 3.194 20 30 EGEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000096966299 454384317 /nfs/dbraw/zinc/38/43/17/454384317.db2.gz IKDGKVKHFCQGQO-UKRRQHHQSA-N 1 2 342.468 3.194 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000091858697 454482033 /nfs/dbraw/zinc/48/20/33/454482033.db2.gz JHKRCCFVEATKAX-IBGZPJMESA-N 1 2 345.874 3.484 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000091858697 454482038 /nfs/dbraw/zinc/48/20/38/454482038.db2.gz JHKRCCFVEATKAX-IBGZPJMESA-N 1 2 345.874 3.484 20 30 EGEDLO CCN(CCC#N)C(=O)C[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000101919529 454487656 /nfs/dbraw/zinc/48/76/56/454487656.db2.gz ULSWYOXSIXMDSC-UHFFFAOYSA-N 1 2 333.435 3.431 20 30 EGEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000079834307 454487833 /nfs/dbraw/zinc/48/78/33/454487833.db2.gz BMTSESDIRNVVCC-UHFFFAOYSA-N 1 2 328.243 3.187 20 30 EGEDLO C=CC[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)Cc1ccc(Cl)s1 ZINC000079853410 454489665 /nfs/dbraw/zinc/48/96/65/454489665.db2.gz GZZATEFMJLOSDC-ZDUSSCGKSA-N 1 2 339.892 3.398 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000073894379 454497800 /nfs/dbraw/zinc/49/78/00/454497800.db2.gz AWJCYLJNEYMCMU-UHFFFAOYSA-N 1 2 325.437 3.438 20 30 EGEDLO Cc1ccc(C#N)c(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1 ZINC000160337329 455449540 /nfs/dbraw/zinc/44/95/40/455449540.db2.gz UMBDGPUILGJOAW-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000080039817 454523442 /nfs/dbraw/zinc/52/34/42/454523442.db2.gz MTSLKQXVTSMNSN-LBPRGKRZSA-N 1 2 342.270 3.433 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000080039817 454523445 /nfs/dbraw/zinc/52/34/45/454523445.db2.gz MTSLKQXVTSMNSN-LBPRGKRZSA-N 1 2 342.270 3.433 20 30 EGEDLO N#CC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CCC1 ZINC000134903773 454606976 /nfs/dbraw/zinc/60/69/76/454606976.db2.gz OBCAXPJQBPPIHN-OAHLLOKOSA-N 1 2 349.837 3.254 20 30 EGEDLO N#CC1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CCC1 ZINC000134903773 454606978 /nfs/dbraw/zinc/60/69/78/454606978.db2.gz OBCAXPJQBPPIHN-OAHLLOKOSA-N 1 2 349.837 3.254 20 30 EGEDLO N#CCC[C@H](C#N)C[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000051379332 454621722 /nfs/dbraw/zinc/62/17/22/454621722.db2.gz MDAAIXBLPMQTPC-CYBMUJFWSA-N 1 2 331.366 3.303 20 30 EGEDLO Cn1c2ccccc2[nH+]c1CCCNc1ccc([N+](=O)[O-])cc1C#N ZINC000080760377 454629301 /nfs/dbraw/zinc/62/93/01/454629301.db2.gz JIDWAVYUNUSZTH-UHFFFAOYSA-N 1 2 335.367 3.398 20 30 EGEDLO CC[N@H+](CCC#N)CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000081054916 454678535 /nfs/dbraw/zinc/67/85/35/454678535.db2.gz UIJVDIITAKOTLF-GFCCVEGCSA-N 1 2 343.500 3.176 20 30 EGEDLO CC[N@@H+](CCC#N)CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000081054916 454678541 /nfs/dbraw/zinc/67/85/41/454678541.db2.gz UIJVDIITAKOTLF-GFCCVEGCSA-N 1 2 343.500 3.176 20 30 EGEDLO C=C(C)CN1C(=O)/C(=C/c2ccc(N3CCCC3)[nH+]c2)SC1=S ZINC000123924220 454688029 /nfs/dbraw/zinc/68/80/29/454688029.db2.gz FZOLJTXFUBPHQC-ZROIWOOFSA-N 1 2 345.493 3.459 20 30 EGEDLO C=CCOc1ccc(C[N@H+](CC(N)=O)Cc2ccccc2)cc1Cl ZINC000093358398 454707344 /nfs/dbraw/zinc/70/73/44/454707344.db2.gz OOZIIMPLYZIGFX-UHFFFAOYSA-N 1 2 344.842 3.392 20 30 EGEDLO C=CCOc1ccc(C[N@@H+](CC(N)=O)Cc2ccccc2)cc1Cl ZINC000093358398 454707351 /nfs/dbraw/zinc/70/73/51/454707351.db2.gz OOZIIMPLYZIGFX-UHFFFAOYSA-N 1 2 344.842 3.392 20 30 EGEDLO C=C[C@H](CC(=O)N1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000124320932 454718524 /nfs/dbraw/zinc/71/85/24/454718524.db2.gz HLYPIKKBPLQHHA-LJQANCHMSA-N 1 2 335.451 3.086 20 30 EGEDLO COC(=O)COc1c(C)cc(C[N@H+](CC#N)C2CCCC2)cc1C ZINC000093563445 454721339 /nfs/dbraw/zinc/72/13/39/454721339.db2.gz UMOHMCOIJIEMET-UHFFFAOYSA-N 1 2 330.428 3.123 20 30 EGEDLO COC(=O)COc1c(C)cc(C[N@@H+](CC#N)C2CCCC2)cc1C ZINC000093563445 454721340 /nfs/dbraw/zinc/72/13/40/454721340.db2.gz UMOHMCOIJIEMET-UHFFFAOYSA-N 1 2 330.428 3.123 20 30 EGEDLO C=C[C@@H](C)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000136786379 454756564 /nfs/dbraw/zinc/75/65/64/454756564.db2.gz KROHIULVXDEAMK-IUODEOHRSA-N 1 2 337.261 3.277 20 30 EGEDLO COc1cccc(CNc2[nH+]cccc2OCCCC#N)c1OC ZINC000162247458 454761525 /nfs/dbraw/zinc/76/15/25/454761525.db2.gz CVPISFZXTGLALW-UHFFFAOYSA-N 1 2 327.384 3.393 20 30 EGEDLO CC(C)(C)OC1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000162543713 454782493 /nfs/dbraw/zinc/78/24/93/454782493.db2.gz KAIUBJVOFJCNEZ-HNNXBMFYSA-N 1 2 347.484 3.005 20 30 EGEDLO CCOc1ccc(NC(=O)CC[N@H+](CCC#N)Cc2ccco2)cc1 ZINC000137828310 454786015 /nfs/dbraw/zinc/78/60/15/454786015.db2.gz DKQAPWHEMDJTGG-UHFFFAOYSA-N 1 2 341.411 3.423 20 30 EGEDLO CCOc1ccc(NC(=O)CC[N@@H+](CCC#N)Cc2ccco2)cc1 ZINC000137828310 454786017 /nfs/dbraw/zinc/78/60/17/454786017.db2.gz DKQAPWHEMDJTGG-UHFFFAOYSA-N 1 2 341.411 3.423 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCOC2(CCCC2)C1 ZINC000139710938 454810153 /nfs/dbraw/zinc/81/01/53/454810153.db2.gz BWAVSSAQNYFLDG-ZDUSSCGKSA-N 1 2 347.846 3.184 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCOC2(CCCC2)C1 ZINC000139710938 454810156 /nfs/dbraw/zinc/81/01/56/454810156.db2.gz BWAVSSAQNYFLDG-ZDUSSCGKSA-N 1 2 347.846 3.184 20 30 EGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(OCCC(C)C)CC1 ZINC000177011858 454811116 /nfs/dbraw/zinc/81/11/16/454811116.db2.gz FGJATLXSZZYFSM-IBGZPJMESA-N 1 2 344.455 3.299 20 30 EGEDLO CC(C)(C)c1nc(CO[NH+]=C(N)c2cccc(C(F)(F)F)c2)no1 ZINC000109061672 454820078 /nfs/dbraw/zinc/82/00/78/454820078.db2.gz UBBXIBQIHSMKGM-UHFFFAOYSA-N 1 2 342.321 3.223 20 30 EGEDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(F)c(C#N)c1 ZINC000160512035 455467717 /nfs/dbraw/zinc/46/77/17/455467717.db2.gz BNQURJNFCVGMDT-UHFFFAOYSA-N 1 2 347.340 3.436 20 30 EGEDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(F)c(C#N)c1 ZINC000160512035 455467721 /nfs/dbraw/zinc/46/77/21/455467721.db2.gz BNQURJNFCVGMDT-UHFFFAOYSA-N 1 2 347.340 3.436 20 30 EGEDLO C=CCCOCC(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000146637848 454859963 /nfs/dbraw/zinc/85/99/63/454859963.db2.gz JKWUEJFCFDCNHN-HNNXBMFYSA-N 1 2 336.863 3.138 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000111276207 454860039 /nfs/dbraw/zinc/86/00/39/454860039.db2.gz AJJHTAZGFFZGSX-HRCADAONSA-N 1 2 336.501 3.151 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000111276207 454860043 /nfs/dbraw/zinc/86/00/43/454860043.db2.gz AJJHTAZGFFZGSX-HRCADAONSA-N 1 2 336.501 3.151 20 30 EGEDLO C=CC1CCN(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)CC1 ZINC000111808542 454876329 /nfs/dbraw/zinc/87/63/29/454876329.db2.gz YYKPJADZZJYQIE-QGZVFWFLSA-N 1 2 342.418 3.256 20 30 EGEDLO CCc1c(C(=O)C[N@H+](C)Cc2cccc(C#N)c2)[nH]c(C)c1C(C)=O ZINC000164627670 454886437 /nfs/dbraw/zinc/88/64/37/454886437.db2.gz VGQDDODDLDGYIG-UHFFFAOYSA-N 1 2 337.423 3.275 20 30 EGEDLO CCc1c(C(=O)C[N@@H+](C)Cc2cccc(C#N)c2)[nH]c(C)c1C(C)=O ZINC000164627670 454886439 /nfs/dbraw/zinc/88/64/39/454886439.db2.gz VGQDDODDLDGYIG-UHFFFAOYSA-N 1 2 337.423 3.275 20 30 EGEDLO C[C@H]([NH2+][C@@H](C)c1nccs1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000112544882 454890422 /nfs/dbraw/zinc/89/04/22/454890422.db2.gz HZVBKGKFZUKHCA-UWVGGRQHSA-N 1 2 346.481 3.243 20 30 EGEDLO CC#CCC[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000155182748 454972110 /nfs/dbraw/zinc/97/21/10/454972110.db2.gz DKYFNBYMLMPVKK-UHFFFAOYSA-N 1 2 325.239 3.165 20 30 EGEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(Cl)c(F)c1 ZINC000127729642 454992364 /nfs/dbraw/zinc/99/23/64/454992364.db2.gz QFRMATKQCAWMGL-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(Cl)c(F)c1 ZINC000127729642 454992366 /nfs/dbraw/zinc/99/23/66/454992366.db2.gz QFRMATKQCAWMGL-UHFFFAOYSA-N 1 2 331.778 3.421 20 30 EGEDLO Cc1ccc(C(=O)N[C@]2(C#N)CCSC2)cc1Oc1cc[nH+]cc1 ZINC000115353602 455011929 /nfs/dbraw/zinc/01/19/29/455011929.db2.gz FISIIUWPORPAAA-SFHVURJKSA-N 1 2 339.420 3.311 20 30 EGEDLO CC[N@H+](CC#Cc1ccc(F)cc1)CC(=O)Nc1cccc(OC)c1 ZINC000152045379 455065177 /nfs/dbraw/zinc/06/51/77/455065177.db2.gz LISGCLJIKCMABP-UHFFFAOYSA-N 1 2 340.398 3.146 20 30 EGEDLO CC[N@@H+](CC#Cc1ccc(F)cc1)CC(=O)Nc1cccc(OC)c1 ZINC000152045379 455065182 /nfs/dbraw/zinc/06/51/82/455065182.db2.gz LISGCLJIKCMABP-UHFFFAOYSA-N 1 2 340.398 3.146 20 30 EGEDLO C=CCC[C@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC000155981172 455068587 /nfs/dbraw/zinc/06/85/87/455068587.db2.gz PWZNQNQCAIZOPD-SFHVURJKSA-N 1 2 345.487 3.104 20 30 EGEDLO Cc1ncsc1C[N@@H+](C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000171750803 455091248 /nfs/dbraw/zinc/09/12/48/455091248.db2.gz MNXUIYNXXJJGBJ-NSWWBONSSA-N 1 2 348.516 3.203 20 30 EGEDLO Cc1ncsc1C[N@H+](C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000171750803 455091252 /nfs/dbraw/zinc/09/12/52/455091252.db2.gz MNXUIYNXXJJGBJ-NSWWBONSSA-N 1 2 348.516 3.203 20 30 EGEDLO C[C@H](C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1)[NH+]1CCSCC1 ZINC000152379572 455109989 /nfs/dbraw/zinc/10/99/89/455109989.db2.gz CERLOZRIYGHNJQ-PBHICJAKSA-N 1 2 345.512 3.102 20 30 EGEDLO Cc1ccc([C@H]2COCC[N@@H+]2CCCOc2cccc(C#N)c2)o1 ZINC000156438143 455118806 /nfs/dbraw/zinc/11/88/06/455118806.db2.gz NXPLNNZVKRMPIT-GOSISDBHSA-N 1 2 326.396 3.302 20 30 EGEDLO Cc1ccc([C@H]2COCC[N@H+]2CCCOc2cccc(C#N)c2)o1 ZINC000156438143 455118810 /nfs/dbraw/zinc/11/88/10/455118810.db2.gz NXPLNNZVKRMPIT-GOSISDBHSA-N 1 2 326.396 3.302 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnc(N2CCOCC2)s1 ZINC000119176397 455130192 /nfs/dbraw/zinc/13/01/92/455130192.db2.gz TZUVGVLCJHCSDT-UHFFFAOYSA-N 1 2 336.505 3.132 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnc(N2CCOCC2)s1 ZINC000119176397 455130197 /nfs/dbraw/zinc/13/01/97/455130197.db2.gz TZUVGVLCJHCSDT-UHFFFAOYSA-N 1 2 336.505 3.132 20 30 EGEDLO COc1ccc(Cl)cc1NC(=O)CC[N@H+](CC#N)C1CCCC1 ZINC000156709369 455146220 /nfs/dbraw/zinc/14/62/20/455146220.db2.gz JXNAIXVLKUCOOY-UHFFFAOYSA-N 1 2 335.835 3.445 20 30 EGEDLO COc1ccc(Cl)cc1NC(=O)CC[N@@H+](CC#N)C1CCCC1 ZINC000156709369 455146222 /nfs/dbraw/zinc/14/62/22/455146222.db2.gz JXNAIXVLKUCOOY-UHFFFAOYSA-N 1 2 335.835 3.445 20 30 EGEDLO CCOc1ccc(C#N)cc1NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000172510186 455158919 /nfs/dbraw/zinc/15/89/19/455158919.db2.gz MGUMFNFIDFQZSG-HNNXBMFYSA-N 1 2 349.434 3.342 20 30 EGEDLO CCOc1ccc(C#N)cc1NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000172510186 455158921 /nfs/dbraw/zinc/15/89/21/455158921.db2.gz MGUMFNFIDFQZSG-HNNXBMFYSA-N 1 2 349.434 3.342 20 30 EGEDLO C=C[C@H](CC(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccccc1 ZINC000157244870 455176687 /nfs/dbraw/zinc/17/66/87/455176687.db2.gz WBMVBBWSSMBNNY-CYBMUJFWSA-N 1 2 327.453 3.429 20 30 EGEDLO C=C[C@H](CC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccccc1 ZINC000157244870 455176689 /nfs/dbraw/zinc/17/66/89/455176689.db2.gz WBMVBBWSSMBNNY-CYBMUJFWSA-N 1 2 327.453 3.429 20 30 EGEDLO C=CCOc1cccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000264773910 455280473 /nfs/dbraw/zinc/28/04/73/455280473.db2.gz WZBDFJGARLDFJL-AWEZNQCLSA-N 1 2 326.400 3.386 20 30 EGEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NCC1(c2ccccc2)CC1 ZINC000173544132 455303477 /nfs/dbraw/zinc/30/34/77/455303477.db2.gz WOJLLNKQOUTACC-UHFFFAOYSA-N 1 2 327.472 3.096 20 30 EGEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NCC1(c2ccccc2)CC1 ZINC000173544132 455303483 /nfs/dbraw/zinc/30/34/83/455303483.db2.gz WOJLLNKQOUTACC-UHFFFAOYSA-N 1 2 327.472 3.096 20 30 EGEDLO C=CC1CCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000159148667 455356032 /nfs/dbraw/zinc/35/60/32/455356032.db2.gz CRYPPBCQLPLMPP-UHFFFAOYSA-N 1 2 340.427 3.392 20 30 EGEDLO CC(C)CO[C@H](C)C(N)=[NH+]O[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000174221304 455370817 /nfs/dbraw/zinc/37/08/17/455370817.db2.gz VSPZELGHHRIPGI-HUUCEWRRSA-N 1 2 349.475 3.487 20 30 EGEDLO N#CC[N@@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)C1CCCC1 ZINC000181901354 455397037 /nfs/dbraw/zinc/39/70/37/455397037.db2.gz ZWCOLWRKZBACQZ-CQSZACIVSA-N 1 2 342.361 3.213 20 30 EGEDLO N#CC[N@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)C1CCCC1 ZINC000181901354 455397040 /nfs/dbraw/zinc/39/70/40/455397040.db2.gz ZWCOLWRKZBACQZ-CQSZACIVSA-N 1 2 342.361 3.213 20 30 EGEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000245913234 455398709 /nfs/dbraw/zinc/39/87/09/455398709.db2.gz VTAYAGDJUZSYSL-RBSFLKMASA-N 1 2 327.428 3.480 20 30 EGEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000245913234 455398712 /nfs/dbraw/zinc/39/87/12/455398712.db2.gz VTAYAGDJUZSYSL-RBSFLKMASA-N 1 2 327.428 3.480 20 30 EGEDLO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc2[nH+]ccn2c1 ZINC000175012765 455419792 /nfs/dbraw/zinc/41/97/92/455419792.db2.gz UBAMYDZLYSDXHL-UHFFFAOYSA-N 1 2 343.308 3.135 20 30 EGEDLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)o1 ZINC000184775529 455446455 /nfs/dbraw/zinc/44/64/55/455446455.db2.gz WZSUTPQRDWHURQ-SUMWQHHRSA-N 1 2 341.411 3.018 20 30 EGEDLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cc(C#N)cs1 ZINC000160900148 455511192 /nfs/dbraw/zinc/51/11/92/455511192.db2.gz FJLBVLBFBGABBZ-UHFFFAOYSA-N 1 2 343.452 3.479 20 30 EGEDLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cc(C#N)cs1 ZINC000160900148 455511195 /nfs/dbraw/zinc/51/11/95/455511195.db2.gz FJLBVLBFBGABBZ-UHFFFAOYSA-N 1 2 343.452 3.479 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1nc(C2CCCCC2)no1 ZINC000185263262 455530760 /nfs/dbraw/zinc/53/07/60/455530760.db2.gz NOBOUNKNQNAFGI-CQSZACIVSA-N 1 2 334.464 3.193 20 30 EGEDLO CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccncc1 ZINC000267884080 455560124 /nfs/dbraw/zinc/56/01/24/455560124.db2.gz HEJPJGZPPXJWLU-UHFFFAOYSA-N 1 2 328.441 3.092 20 30 EGEDLO CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccncc1 ZINC000267884080 455560130 /nfs/dbraw/zinc/56/01/30/455560130.db2.gz HEJPJGZPPXJWLU-UHFFFAOYSA-N 1 2 328.441 3.092 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN([C@@H](C)c2ccsc2)CC1 ZINC000185495885 455568078 /nfs/dbraw/zinc/56/80/78/455568078.db2.gz PVNRNDUFNDKNIB-DLBZAZTESA-N 1 2 347.528 3.016 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000185522952 455572230 /nfs/dbraw/zinc/57/22/30/455572230.db2.gz CXDYYTKJTLEFBC-OAHLLOKOSA-N 1 2 334.410 3.239 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000185522952 455572235 /nfs/dbraw/zinc/57/22/35/455572235.db2.gz CXDYYTKJTLEFBC-OAHLLOKOSA-N 1 2 334.410 3.239 20 30 EGEDLO C#CCOc1ccc(C(=O)N(C)CCCc2[nH+]ccn2CCC)cc1 ZINC000192246028 455581212 /nfs/dbraw/zinc/58/12/12/455581212.db2.gz XKJXFPAYWJWRRT-UHFFFAOYSA-N 1 2 339.439 3.010 20 30 EGEDLO CCN(C(=O)Cc1cn2ccccc2[nH+]1)[C@H](C)c1ccc(C#N)cc1 ZINC000192465959 455624051 /nfs/dbraw/zinc/62/40/51/455624051.db2.gz ZSFOTWDSFGSECK-OAHLLOKOSA-N 1 2 332.407 3.358 20 30 EGEDLO N#CCSCC(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000284387061 455677741 /nfs/dbraw/zinc/67/77/41/455677741.db2.gz VKKCKSRODYDFQR-UHFFFAOYSA-N 1 2 327.409 3.049 20 30 EGEDLO Cc1ncc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)s1 ZINC000277903369 455703759 /nfs/dbraw/zinc/70/37/59/455703759.db2.gz WXACFHUCJMUJSK-UHFFFAOYSA-N 1 2 332.860 3.299 20 30 EGEDLO Cc1cccn2cc(CS(=O)(=O)CCCCC(C)(C)C#N)[nH+]c12 ZINC000277931240 455711902 /nfs/dbraw/zinc/71/19/02/455711902.db2.gz PWAFGZMQUDAPIB-UHFFFAOYSA-N 1 2 333.457 3.278 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCO[C@](C)(CC)C1 ZINC000248986583 455740701 /nfs/dbraw/zinc/74/07/01/455740701.db2.gz WKRRSEJUKFLLIZ-CRAIPNDOSA-N 1 2 336.501 3.152 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCO[C@](C)(CC)C1 ZINC000248986583 455740705 /nfs/dbraw/zinc/74/07/05/455740705.db2.gz WKRRSEJUKFLLIZ-CRAIPNDOSA-N 1 2 336.501 3.152 20 30 EGEDLO Cc1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1Cl ZINC000193675793 455770584 /nfs/dbraw/zinc/77/05/84/455770584.db2.gz GATPCCBPRYDESC-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO C=C(C)[C@H](CC(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1)OCC ZINC000294190873 455807804 /nfs/dbraw/zinc/80/78/04/455807804.db2.gz OENRLMXUVSOVBZ-FUHWJXTLSA-N 1 2 327.428 3.329 20 30 EGEDLO C=CCc1cc(CN2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc(OC)c1O ZINC000294715998 455825405 /nfs/dbraw/zinc/82/54/05/455825405.db2.gz FCYIAYCLYQSJKB-GOSISDBHSA-N 1 2 341.455 3.446 20 30 EGEDLO C=C(C)[C@H](CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F)OCC ZINC000270042972 455863841 /nfs/dbraw/zinc/86/38/41/455863841.db2.gz OYPMRSWQKTVGBQ-FUHWJXTLSA-N 1 2 345.418 3.136 20 30 EGEDLO C#CC(C)(C)[N@H+](C)Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000279389157 455864323 /nfs/dbraw/zinc/86/43/23/455864323.db2.gz YPFVCXRBAOBLJL-UHFFFAOYSA-N 1 2 327.453 3.168 20 30 EGEDLO C#CC(C)(C)[N@@H+](C)Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000279389157 455864328 /nfs/dbraw/zinc/86/43/28/455864328.db2.gz YPFVCXRBAOBLJL-UHFFFAOYSA-N 1 2 327.453 3.168 20 30 EGEDLO N#CCCN(C(=O)C[N@H+]1CC=C(C(F)(F)F)CC1)c1ccccc1 ZINC000270144655 455887904 /nfs/dbraw/zinc/88/79/04/455887904.db2.gz FAPMCRCQIAZBQR-UHFFFAOYSA-N 1 2 337.345 3.128 20 30 EGEDLO N#CCCN(C(=O)C[N@@H+]1CC=C(C(F)(F)F)CC1)c1ccccc1 ZINC000270144655 455887908 /nfs/dbraw/zinc/88/79/08/455887908.db2.gz FAPMCRCQIAZBQR-UHFFFAOYSA-N 1 2 337.345 3.128 20 30 EGEDLO CC1CCN(c2ccc(CNC(=O)Cc3ccc(C#N)cc3)c[nH+]2)CC1 ZINC000194862472 455893580 /nfs/dbraw/zinc/89/35/80/455893580.db2.gz AQEJVTBGVUPBFB-UHFFFAOYSA-N 1 2 348.450 3.048 20 30 EGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1ccc(F)c(C#N)c1 ZINC000285888631 455935830 /nfs/dbraw/zinc/93/58/30/455935830.db2.gz IXSMBQHIBJKIFQ-MRXNPFEDSA-N 1 2 326.375 3.281 20 30 EGEDLO C#CC[C@H](NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C)c1ccccc1 ZINC000296626234 455992950 /nfs/dbraw/zinc/99/29/50/455992950.db2.gz YNIRVLCTKVWEOB-DLBZAZTESA-N 1 2 336.439 3.277 20 30 EGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(CCC#N)CC(C)(C)C ZINC000280562033 455999130 /nfs/dbraw/zinc/99/91/30/455999130.db2.gz QJMGQKHBCVYKJB-UHFFFAOYSA-N 1 2 348.397 3.411 20 30 EGEDLO N#Cc1cc(NCc2ccc(N3CCCCCC3)[nH+]c2)nc(C2CC2)n1 ZINC000601104893 460712463 /nfs/dbraw/zinc/71/24/63/460712463.db2.gz KWBAGKWISDQPBE-UHFFFAOYSA-N 1 2 348.454 3.035 20 30 EGEDLO C#Cc1ccccc1CC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000289671930 456136687 /nfs/dbraw/zinc/13/66/87/456136687.db2.gz ZQYKSXKESNUTCK-UHFFFAOYSA-N 1 2 347.462 3.158 20 30 EGEDLO C#C[C@H](NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1)C(C)C ZINC000281146829 456146959 /nfs/dbraw/zinc/14/69/59/456146959.db2.gz VSNQHXOAEBPCOY-HOTGVXAUSA-N 1 2 344.846 3.120 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(F)ccc3Cl)CC2)nc1 ZINC000188876964 456159170 /nfs/dbraw/zinc/15/91/70/456159170.db2.gz DHZVNDAWDQYHQK-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)OC(C)C)cc1OCCCC#N ZINC000271201502 456169732 /nfs/dbraw/zinc/16/97/32/456169732.db2.gz XJUDFLRAQYRVSF-OAHLLOKOSA-N 1 2 348.443 3.150 20 30 EGEDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)OC(C)C)cc1OCCCC#N ZINC000271201502 456169734 /nfs/dbraw/zinc/16/97/34/456169734.db2.gz XJUDFLRAQYRVSF-OAHLLOKOSA-N 1 2 348.443 3.150 20 30 EGEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)Nc2ccc(C#N)c(F)c2)CC1(C)C ZINC000297553271 456249115 /nfs/dbraw/zinc/24/91/15/456249115.db2.gz ZKARGZAQRGEZIY-CQSZACIVSA-N 1 2 327.363 3.046 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)OCC ZINC000274137737 456251229 /nfs/dbraw/zinc/25/12/29/456251229.db2.gz APBIUCBELWNALE-DOTOQJQBSA-N 1 2 336.501 3.325 20 30 EGEDLO N#Cc1cc(Br)ccc1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000302079434 456281380 /nfs/dbraw/zinc/28/13/80/456281380.db2.gz KRDSZTWTTMZEFZ-HNNXBMFYSA-N 1 2 344.212 3.373 20 30 EGEDLO N#Cc1cc(Br)ccc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000302083298 456283066 /nfs/dbraw/zinc/28/30/66/456283066.db2.gz MKVAUEIDXUOMGC-CQSZACIVSA-N 1 2 343.228 3.407 20 30 EGEDLO Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000281652088 456283233 /nfs/dbraw/zinc/28/32/33/456283233.db2.gz PTESHXXUZDWZGG-IIDMSEBBSA-N 1 2 327.428 3.099 20 30 EGEDLO Cc1cccn2cc(COc3ccc(C(=O)N(C)[C@H](C)C#N)cc3)[nH+]c12 ZINC000297793974 456297316 /nfs/dbraw/zinc/29/73/16/456297316.db2.gz OGLDUPIWKOJXKC-OAHLLOKOSA-N 1 2 348.406 3.206 20 30 EGEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000297822300 456303226 /nfs/dbraw/zinc/30/32/26/456303226.db2.gz JIKOSWJWRFIHIG-MRXNPFEDSA-N 1 2 343.471 3.170 20 30 EGEDLO C=C(C)C[N@@H+](Cc1cn2c(cccc2C)n1)Cc1ccc(CO)o1 ZINC000352791477 456311889 /nfs/dbraw/zinc/31/18/89/456311889.db2.gz IGWPDDOEWQCSST-UHFFFAOYSA-N 1 2 325.412 3.306 20 30 EGEDLO C=C(C)C[N@H+](Cc1cn2c(cccc2C)n1)Cc1ccc(CO)o1 ZINC000352791477 456311894 /nfs/dbraw/zinc/31/18/94/456311894.db2.gz IGWPDDOEWQCSST-UHFFFAOYSA-N 1 2 325.412 3.306 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NCC1CCCCC1 ZINC000352801178 456319532 /nfs/dbraw/zinc/31/95/32/456319532.db2.gz RSKOFFXWKYQLJL-MRXNPFEDSA-N 1 2 348.487 3.235 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NCC1CCCCC1 ZINC000352801178 456319537 /nfs/dbraw/zinc/31/95/37/456319537.db2.gz RSKOFFXWKYQLJL-MRXNPFEDSA-N 1 2 348.487 3.235 20 30 EGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1cc(C#N)ccc1[N+](=O)[O-] ZINC000302224136 456322222 /nfs/dbraw/zinc/32/22/22/456322222.db2.gz UNSAACOGJCMLBZ-UHFFFAOYSA-N 1 2 347.378 3.348 20 30 EGEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)CC(C)(C)C#N)[C@@H](C)C1 ZINC000281927486 456363755 /nfs/dbraw/zinc/36/37/55/456363755.db2.gz SZPISIFAZAVGMI-INIZCTEOSA-N 1 2 343.471 3.058 20 30 EGEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)CC(C)(C)C#N)[C@@H](C)C1 ZINC000281927486 456363761 /nfs/dbraw/zinc/36/37/61/456363761.db2.gz SZPISIFAZAVGMI-INIZCTEOSA-N 1 2 343.471 3.058 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)N[C@H](C)c1cccs1)Cc1ccc(CO)o1 ZINC000352865634 456374414 /nfs/dbraw/zinc/37/44/14/456374414.db2.gz DCXQQZGMDUJZGW-CQSZACIVSA-N 1 2 348.468 3.089 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)N[C@H](C)c1cccs1)Cc1ccc(CO)o1 ZINC000352865634 456374415 /nfs/dbraw/zinc/37/44/15/456374415.db2.gz DCXQQZGMDUJZGW-CQSZACIVSA-N 1 2 348.468 3.089 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)NCc1ccccc1)Cc1cnn(C(C)C)c1 ZINC000352957962 456424573 /nfs/dbraw/zinc/42/45/73/456424573.db2.gz WPAUDZKBHBLAPM-UHFFFAOYSA-N 1 2 340.471 3.159 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)NCc1ccccc1)Cc1cnn(C(C)C)c1 ZINC000352957962 456424579 /nfs/dbraw/zinc/42/45/79/456424579.db2.gz WPAUDZKBHBLAPM-UHFFFAOYSA-N 1 2 340.471 3.159 20 30 EGEDLO C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccoc1 ZINC000348042729 456442555 /nfs/dbraw/zinc/44/25/55/456442555.db2.gz GBVXOLAHQMGXDC-UHFFFAOYSA-N 1 2 331.803 3.312 20 30 EGEDLO C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccoc1 ZINC000348042729 456442558 /nfs/dbraw/zinc/44/25/58/456442558.db2.gz GBVXOLAHQMGXDC-UHFFFAOYSA-N 1 2 331.803 3.312 20 30 EGEDLO CCCCCCCC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000298499746 456473383 /nfs/dbraw/zinc/47/33/83/456473383.db2.gz HFVUTVXOWNBOHN-INIZCTEOSA-N 1 2 333.476 3.283 20 30 EGEDLO Cc1ccc([C@H](CNc2nccc(C)c2C#N)[NH+]2CCOCC2)cc1 ZINC000343520595 456678673 /nfs/dbraw/zinc/67/86/73/456678673.db2.gz UTAFJIHWQGQNLH-IBGZPJMESA-N 1 2 336.439 3.056 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000353496886 456717686 /nfs/dbraw/zinc/71/76/86/456717686.db2.gz WIAVHZDIHRLEJW-LJQANCHMSA-N 1 2 333.476 3.131 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N1CCCc3ccccc3C1)CCC2 ZINC000328640667 456725304 /nfs/dbraw/zinc/72/53/04/456725304.db2.gz CUJMKGXZIMIORJ-KRWDZBQOSA-N 1 2 338.455 3.431 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCCc3ccccc3C1)CCC2 ZINC000328640667 456725308 /nfs/dbraw/zinc/72/53/08/456725308.db2.gz CUJMKGXZIMIORJ-KRWDZBQOSA-N 1 2 338.455 3.431 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)NCC#Cc1cccc(F)c1 ZINC000338241585 456728351 /nfs/dbraw/zinc/72/83/51/456728351.db2.gz REFQORJKTOBLMR-UHFFFAOYSA-N 1 2 335.382 3.042 20 30 EGEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(C(=O)CC2CCCCC2)CC1 ZINC000328707638 456742980 /nfs/dbraw/zinc/74/29/80/456742980.db2.gz LZLQHQAKLOJFGC-MRXNPFEDSA-N 1 2 349.519 3.389 20 30 EGEDLO CC[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)C[C@@H](C)[S@]1=O ZINC000348542847 456751119 /nfs/dbraw/zinc/75/11/19/456751119.db2.gz DWHOQEIUTYQTAA-OMXJDXKCSA-N 1 2 334.485 3.101 20 30 EGEDLO CC[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)C[C@@H](C)[S@]1=O ZINC000348542847 456751123 /nfs/dbraw/zinc/75/11/23/456751123.db2.gz DWHOQEIUTYQTAA-OMXJDXKCSA-N 1 2 334.485 3.101 20 30 EGEDLO C[N@H+](Cc1ccccc1C#N)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000353569635 456770038 /nfs/dbraw/zinc/77/00/38/456770038.db2.gz OKXQCFPWOXBSFE-SFHVURJKSA-N 1 2 339.826 3.449 20 30 EGEDLO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000353569635 456770045 /nfs/dbraw/zinc/77/00/45/456770045.db2.gz OKXQCFPWOXBSFE-SFHVURJKSA-N 1 2 339.826 3.449 20 30 EGEDLO CC(=O)N1CCC(CCC(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000328863330 456779740 /nfs/dbraw/zinc/77/97/40/456779740.db2.gz ZFMLUOVWGNKEAQ-KRWDZBQOSA-N 1 2 346.475 3.064 20 30 EGEDLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(C#N)cc1 ZINC000338350176 456780181 /nfs/dbraw/zinc/78/01/81/456780181.db2.gz RZGKSNIQAWSKEF-CYBMUJFWSA-N 1 2 329.363 3.331 20 30 EGEDLO C=CC1CCN(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC000348628670 456786199 /nfs/dbraw/zinc/78/61/99/456786199.db2.gz UTFBSHDRNPCHGX-UHFFFAOYSA-N 1 2 328.460 3.180 20 30 EGEDLO CN(C)c1noc([C@H]2CCC[N@H+](CC#Cc3ccccc3Cl)C2)n1 ZINC000338377842 456788301 /nfs/dbraw/zinc/78/83/01/456788301.db2.gz MTVKUJMKJLXNND-HNNXBMFYSA-N 1 2 344.846 3.020 20 30 EGEDLO CN(C)c1noc([C@H]2CCC[N@@H+](CC#Cc3ccccc3Cl)C2)n1 ZINC000338377842 456788306 /nfs/dbraw/zinc/78/83/06/456788306.db2.gz MTVKUJMKJLXNND-HNNXBMFYSA-N 1 2 344.846 3.020 20 30 EGEDLO O=C(N[C@@H]1CCCOc2ccc(F)cc21)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328919582 456791052 /nfs/dbraw/zinc/79/10/52/456791052.db2.gz LNWVXVFACLDEMS-MLGOLLRUSA-N 1 2 329.375 3.455 20 30 EGEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CCC(=O)[C@@H](C)C1 ZINC000328978264 456806100 /nfs/dbraw/zinc/80/61/00/456806100.db2.gz WZCIFCMLYOOTSG-DOTOQJQBSA-N 1 2 344.455 3.421 20 30 EGEDLO Cc1nnc([C@@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)s1 ZINC000283685161 456824434 /nfs/dbraw/zinc/82/44/34/456824434.db2.gz WMGQKUMTAHDRRZ-GFCCVEGCSA-N 1 2 328.441 3.323 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CC(=O)N[C@H](C)C1)C1CCOCC1 ZINC000329081039 456830981 /nfs/dbraw/zinc/83/09/81/456830981.db2.gz RNIVWSVTVKIAEF-IVMMDQJWSA-N 1 2 348.447 3.082 20 30 EGEDLO CCC(CC)[C@@H]1C[C@H](NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000329272060 456865089 /nfs/dbraw/zinc/86/50/89/456865089.db2.gz IJYOQLCYRUYKDX-BBWFWOEESA-N 1 2 348.491 3.487 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCCC(C)(C)C1)C1CCOCC1 ZINC000329386372 456883214 /nfs/dbraw/zinc/88/32/14/456883214.db2.gz QJBWLDFHMXAITI-MRXNPFEDSA-N 1 2 348.491 3.407 20 30 EGEDLO C[C@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)c1ccc(Cl)cn1 ZINC000329518773 456903561 /nfs/dbraw/zinc/90/35/61/456903561.db2.gz PUILXIYKGDSUBH-BLLLJJGKSA-N 1 2 337.851 3.396 20 30 EGEDLO C[C@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)c1ccc(Cl)cn1 ZINC000329518773 456903564 /nfs/dbraw/zinc/90/35/64/456903564.db2.gz PUILXIYKGDSUBH-BLLLJJGKSA-N 1 2 337.851 3.396 20 30 EGEDLO CC1(C)CCCc2sc([NH+]=C([O-])N[C@H]3CCc4[nH+]c[nH]c4C3)nc21 ZINC000329559455 456908652 /nfs/dbraw/zinc/90/86/52/456908652.db2.gz ILQZGQKCCQTQKX-JTQLQIEISA-N 1 2 345.472 3.364 20 30 EGEDLO N#CC[C@@H](CC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1 ZINC000353825006 456924065 /nfs/dbraw/zinc/92/40/65/456924065.db2.gz KFOGZLCUXSQICG-IBGZPJMESA-N 1 2 348.450 3.386 20 30 EGEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000329739503 456934990 /nfs/dbraw/zinc/93/49/90/456934990.db2.gz UWZNWCNHIMOUIC-PBHICJAKSA-N 1 2 328.391 3.157 20 30 EGEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000329739503 456934992 /nfs/dbraw/zinc/93/49/92/456934992.db2.gz UWZNWCNHIMOUIC-PBHICJAKSA-N 1 2 328.391 3.157 20 30 EGEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(C(=O)c3cc4ccccc4s3)CC2)C1 ZINC000339138033 456959055 /nfs/dbraw/zinc/95/90/55/456959055.db2.gz YMRIRLOUGXTSLT-GDBMZVCRSA-N 1 2 339.464 3.351 20 30 EGEDLO Cc1[nH]c2ccc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)cc2[nH+]1 ZINC000349419458 456966711 /nfs/dbraw/zinc/96/67/11/456966711.db2.gz DDVLJKCVFHSJMO-OAHLLOKOSA-N 1 2 329.363 3.064 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[NH2+][C@@H](CCCO)c3ccccc3)o2)c1 ZINC000341871145 456980612 /nfs/dbraw/zinc/98/06/12/456980612.db2.gz CRSLQBCPRLARCC-SFHVURJKSA-N 1 2 348.406 3.212 20 30 EGEDLO Cc1[nH]nc(-c2ccccc2)c1NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000330097173 456984726 /nfs/dbraw/zinc/98/47/26/456984726.db2.gz AKPBIKYEVAFWCB-ZDUSSCGKSA-N 1 2 330.457 3.410 20 30 EGEDLO Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330105078 456985766 /nfs/dbraw/zinc/98/57/66/456985766.db2.gz IBXGQCNYXVGKOR-GJYPPUQNSA-N 1 2 332.444 3.241 20 30 EGEDLO Cc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330105078 456985771 /nfs/dbraw/zinc/98/57/71/456985771.db2.gz IBXGQCNYXVGKOR-GJYPPUQNSA-N 1 2 332.444 3.241 20 30 EGEDLO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330120444 456987770 /nfs/dbraw/zinc/98/77/70/456987770.db2.gz IZOKCZONQXJTSY-PMPSAXMXSA-N 1 2 334.464 3.097 20 30 EGEDLO Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330125426 456988186 /nfs/dbraw/zinc/98/81/86/456988186.db2.gz LYWRQPFANCTYSI-ABSDTBQOSA-N 1 2 346.471 3.110 20 30 EGEDLO Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330125426 456988188 /nfs/dbraw/zinc/98/81/88/456988188.db2.gz LYWRQPFANCTYSI-ABSDTBQOSA-N 1 2 346.471 3.110 20 30 EGEDLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330141167 456990765 /nfs/dbraw/zinc/99/07/65/456990765.db2.gz XKDNNFGQTGKLGK-GUXCAODWSA-N 1 2 346.471 3.495 20 30 EGEDLO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330141167 456990768 /nfs/dbraw/zinc/99/07/68/456990768.db2.gz XKDNNFGQTGKLGK-GUXCAODWSA-N 1 2 346.471 3.495 20 30 EGEDLO CCc1ccc([C@H](C#N)NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000345746793 456991181 /nfs/dbraw/zinc/99/11/81/456991181.db2.gz GSBJFMSDWPZMOE-FQEVSTJZSA-N 1 2 344.418 3.488 20 30 EGEDLO Cc1ccc(Cc2noc([C@H](C#N)Cc3ccc(C#N)cc3)n2)c[nH+]1 ZINC000346131493 457019904 /nfs/dbraw/zinc/01/99/04/457019904.db2.gz KDDJVTZHXIKZIC-KRWDZBQOSA-N 1 2 329.363 3.085 20 30 EGEDLO CCN1CCN(C(=O)Nc2cccc(Cl)c2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000330355205 457033748 /nfs/dbraw/zinc/03/37/48/457033748.db2.gz QJDKFWZWDGHBMK-HNNXBMFYSA-N 1 2 347.850 3.296 20 30 EGEDLO COCC1(C#N)CC[NH+]([C@H](C)C(=O)Nc2ccccc2C(C)C)CC1 ZINC000341981617 457040037 /nfs/dbraw/zinc/04/00/37/457040037.db2.gz FQVJLHWPKPSNFC-MRXNPFEDSA-N 1 2 343.471 3.389 20 30 EGEDLO Cc1nc(CC(C)C)sc1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000330499850 457049952 /nfs/dbraw/zinc/04/99/52/457049952.db2.gz LIKYNKZSERXLJI-UHFFFAOYSA-N 1 2 339.505 3.065 20 30 EGEDLO Cc1nc(CC(C)C)sc1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000330499850 457049958 /nfs/dbraw/zinc/04/99/58/457049958.db2.gz LIKYNKZSERXLJI-UHFFFAOYSA-N 1 2 339.505 3.065 20 30 EGEDLO C=C1CC[NH+](CC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000342005528 457055132 /nfs/dbraw/zinc/05/51/32/457055132.db2.gz OKQWAMRFXYBEGU-UHFFFAOYSA-N 1 2 343.290 3.121 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000339377719 457077808 /nfs/dbraw/zinc/07/78/08/457077808.db2.gz KGSIEPZSICZZBG-VQIMIIECSA-N 1 2 338.382 3.401 20 30 EGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000339377719 457077812 /nfs/dbraw/zinc/07/78/12/457077812.db2.gz KGSIEPZSICZZBG-VQIMIIECSA-N 1 2 338.382 3.401 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3F)C2)c(C#N)c1C ZINC000339380180 457078847 /nfs/dbraw/zinc/07/88/47/457078847.db2.gz VYWBBKWYYGUMEM-AWEZNQCLSA-N 1 2 341.386 3.335 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H](c3ccccc3F)C2)c(C#N)c1C ZINC000339380180 457078852 /nfs/dbraw/zinc/07/88/52/457078852.db2.gz VYWBBKWYYGUMEM-AWEZNQCLSA-N 1 2 341.386 3.335 20 30 EGEDLO Cc1cc(NC(=O)N[C@@H](CCO)C(C)C)c[nH+]c1N1CCCC[C@@H]1C ZINC000330775274 457084107 /nfs/dbraw/zinc/08/41/07/457084107.db2.gz HJDICCLZUXXUPM-RDJZCZTQSA-N 1 2 348.491 3.311 20 30 EGEDLO COc1cc(C[N@@H+]2CC(C)(C)O[C@](C)(C(F)(F)F)C2)ccc1C#N ZINC000354175682 457110347 /nfs/dbraw/zinc/11/03/47/457110347.db2.gz HISFWTWASRJFFS-INIZCTEOSA-N 1 2 342.361 3.499 20 30 EGEDLO COc1cc(C[N@H+]2CC(C)(C)O[C@](C)(C(F)(F)F)C2)ccc1C#N ZINC000354175682 457110354 /nfs/dbraw/zinc/11/03/54/457110354.db2.gz HISFWTWASRJFFS-INIZCTEOSA-N 1 2 342.361 3.499 20 30 EGEDLO CC[C@H](NC(=O)CCCCOc1cccc(C#N)c1)c1[nH]cc[nH+]1 ZINC000354177090 457111846 /nfs/dbraw/zinc/11/18/46/457111846.db2.gz YVOYUJDEPNJRMF-INIZCTEOSA-N 1 2 326.400 3.098 20 30 EGEDLO Cc1cc(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)cc(C)c1Cl ZINC000331266212 457157375 /nfs/dbraw/zinc/15/73/75/457157375.db2.gz IEODVWJXPGMROX-ZDUSSCGKSA-N 1 2 325.840 3.003 20 30 EGEDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)c(C)c3)CC2)c(C)o1 ZINC000362924573 457157603 /nfs/dbraw/zinc/15/76/03/457157603.db2.gz YSYPIBWKCSHWNH-UHFFFAOYSA-N 1 2 337.423 3.035 20 30 EGEDLO C=CCOc1ccccc1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000360010407 457201668 /nfs/dbraw/zinc/20/16/68/457201668.db2.gz NFKDFNMGEHNYBQ-UHFFFAOYSA-N 1 2 333.391 3.367 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000351419795 457284626 /nfs/dbraw/zinc/28/46/26/457284626.db2.gz QUHPKHPYDZKGIQ-LSDHHAIUSA-N 1 2 347.459 3.078 20 30 EGEDLO C=CCn1cccc1C(=O)NC[C@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000351419795 457284631 /nfs/dbraw/zinc/28/46/31/457284631.db2.gz QUHPKHPYDZKGIQ-LSDHHAIUSA-N 1 2 347.459 3.078 20 30 EGEDLO COCCOc1ccc(C#N)cc1NCCCc1ccc(C)[nH+]c1 ZINC000354648713 457296383 /nfs/dbraw/zinc/29/63/83/457296383.db2.gz MVTIWZQYUPCTFX-UHFFFAOYSA-N 1 2 325.412 3.332 20 30 EGEDLO C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000363379970 457307392 /nfs/dbraw/zinc/30/73/92/457307392.db2.gz AGADAIUAIILTPN-UHFFFAOYSA-N 1 2 341.374 3.083 20 30 EGEDLO N#CCc1ccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000340102407 457333220 /nfs/dbraw/zinc/33/32/20/457333220.db2.gz LAKOPULUCNNLSN-UHFFFAOYSA-N 1 2 346.390 3.280 20 30 EGEDLO N#CCCN(Cc1ccco1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000355336288 457358903 /nfs/dbraw/zinc/35/89/03/457358903.db2.gz QVXFFZKYLWLMKN-UHFFFAOYSA-N 1 2 334.379 3.080 20 30 EGEDLO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC(F)(C#N)CC1 ZINC000352442000 457370686 /nfs/dbraw/zinc/37/06/86/457370686.db2.gz IDZLZMBEXBLKDQ-ZIAGYGMSSA-N 1 2 335.448 3.128 20 30 EGEDLO N#CC1(F)CC[NH+](Cc2cncc(OCc3ccccc3)c2)CC1 ZINC000352451540 457379415 /nfs/dbraw/zinc/37/94/15/457379415.db2.gz XBSKSNDBXUSYDE-UHFFFAOYSA-N 1 2 325.387 3.488 20 30 EGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000355700231 457404159 /nfs/dbraw/zinc/40/41/59/457404159.db2.gz AVPPUUFENNAVPJ-NSHDSACASA-N 1 2 343.880 3.012 20 30 EGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000355700231 457404164 /nfs/dbraw/zinc/40/41/64/457404164.db2.gz AVPPUUFENNAVPJ-NSHDSACASA-N 1 2 343.880 3.012 20 30 EGEDLO C=CCCC1(C(=O)N(C)C[C@@H]2OCC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000347441793 457430484 /nfs/dbraw/zinc/43/04/84/457430484.db2.gz BZXSKFCPPBCBPQ-RBUKOAKNSA-N 1 2 342.483 3.263 20 30 EGEDLO C=CCCC1(C(=O)N(C)C[C@@H]2OCC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000347441793 457430490 /nfs/dbraw/zinc/43/04/90/457430490.db2.gz BZXSKFCPPBCBPQ-RBUKOAKNSA-N 1 2 342.483 3.263 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425306168 457489955 /nfs/dbraw/zinc/48/99/55/457489955.db2.gz RUJLECCSGMJZED-LMMKCTJWSA-N 1 2 339.439 3.029 20 30 EGEDLO Cc1cc(NC(=O)C2(C#N)CCOCC2)c[nH+]c1N1CCCC[C@H]1C ZINC000408158312 457561548 /nfs/dbraw/zinc/56/15/48/457561548.db2.gz NFGUUXCTPARCHW-OAHLLOKOSA-N 1 2 342.443 3.028 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000364366976 457581047 /nfs/dbraw/zinc/58/10/47/457581047.db2.gz VXJPNBBZODJKJL-AWEZNQCLSA-N 1 2 334.847 3.229 20 30 EGEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCO[C@@H](c3ccc(Cl)s3)C2)cc1 ZINC000364437505 457603320 /nfs/dbraw/zinc/60/33/20/457603320.db2.gz LOMGLMZUSIXDPH-LSDHHAIUSA-N 1 2 348.855 3.380 20 30 EGEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCO[C@@H](c3ccc(Cl)s3)C2)cc1 ZINC000364437505 457603324 /nfs/dbraw/zinc/60/33/24/457603324.db2.gz LOMGLMZUSIXDPH-LSDHHAIUSA-N 1 2 348.855 3.380 20 30 EGEDLO COc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1F ZINC000374389010 457609131 /nfs/dbraw/zinc/60/91/31/457609131.db2.gz TUUFOSHDDIZMEN-LJQANCHMSA-N 1 2 326.371 3.279 20 30 EGEDLO COc1ccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1F ZINC000374389010 457609137 /nfs/dbraw/zinc/60/91/37/457609137.db2.gz TUUFOSHDDIZMEN-LJQANCHMSA-N 1 2 326.371 3.279 20 30 EGEDLO C[C@H](c1c(F)cccc1F)[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000357625471 457629708 /nfs/dbraw/zinc/62/97/08/457629708.db2.gz SYPAVJMQZBQTNP-HIFRSBDPSA-N 1 2 346.377 3.269 20 30 EGEDLO C[C@H](c1c(F)cccc1F)[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000357625471 457629711 /nfs/dbraw/zinc/62/97/11/457629711.db2.gz SYPAVJMQZBQTNP-HIFRSBDPSA-N 1 2 346.377 3.269 20 30 EGEDLO Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCC[N@@H+]1CCCC#N ZINC000364726663 457681414 /nfs/dbraw/zinc/68/14/14/457681414.db2.gz YHUQCXUGSMGQLK-GOSISDBHSA-N 1 2 342.418 3.305 20 30 EGEDLO Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCC[N@H+]1CCCC#N ZINC000364726663 457681417 /nfs/dbraw/zinc/68/14/17/457681417.db2.gz YHUQCXUGSMGQLK-GOSISDBHSA-N 1 2 342.418 3.305 20 30 EGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccc(C(C)(C)C#N)cc1)CCC2 ZINC000366364875 457807749 /nfs/dbraw/zinc/80/77/49/457807749.db2.gz ALJCPFOAOHIUOJ-MRXNPFEDSA-N 1 2 336.439 3.300 20 30 EGEDLO O=C(Nc1ccccc1C#Cc1ccccc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000366656289 457876203 /nfs/dbraw/zinc/87/62/03/457876203.db2.gz SOJPTHHNBXLJCT-IBGZPJMESA-N 1 2 341.414 3.484 20 30 EGEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2ccc(C#N)o2)CC1 ZINC000428102012 458079913 /nfs/dbraw/zinc/07/99/13/458079913.db2.gz KFRXLVHWJQSKPR-CYBMUJFWSA-N 1 2 343.814 3.324 20 30 EGEDLO Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000369205413 458122864 /nfs/dbraw/zinc/12/28/64/458122864.db2.gz JOONHTQCKPXJFN-QGZVFWFLSA-N 1 2 348.450 3.274 20 30 EGEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000428863292 458223761 /nfs/dbraw/zinc/22/37/61/458223761.db2.gz XXIKMUFNBCKHCF-HXUWFJFHSA-N 1 2 336.435 3.495 20 30 EGEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000428863292 458223767 /nfs/dbraw/zinc/22/37/67/458223767.db2.gz XXIKMUFNBCKHCF-HXUWFJFHSA-N 1 2 336.435 3.495 20 30 EGEDLO N#Cc1csc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)c1 ZINC000446910624 458245491 /nfs/dbraw/zinc/24/54/91/458245491.db2.gz CAWVPIQPEXQCIO-UHFFFAOYSA-N 1 2 342.855 3.467 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000372520409 458305086 /nfs/dbraw/zinc/30/50/86/458305086.db2.gz GKBWLDFKDUNNNS-SJORKVTESA-N 1 2 343.471 3.264 20 30 EGEDLO COC(=O)c1cnc([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)s1 ZINC000414099936 458314587 /nfs/dbraw/zinc/31/45/87/458314587.db2.gz RBQIYFNPRNCNRC-NSHDSACASA-N 1 2 327.409 3.141 20 30 EGEDLO CC[C@@H](C[NH2+][C@H](C(=O)OC)c1cccc(C#N)c1)CC(F)(F)F ZINC000419316089 458380631 /nfs/dbraw/zinc/38/06/31/458380631.db2.gz KSVRVNPWMQIIFG-RISCZKNCSA-N 1 2 328.334 3.341 20 30 EGEDLO C[C@@H]1CC[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@@H]1C ZINC000448580455 458402015 /nfs/dbraw/zinc/40/20/15/458402015.db2.gz YOMWPCHNVOCDDM-UWVAXJGDSA-N 1 2 339.483 3.275 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2cccc(Br)c2F)CC1 ZINC000449312911 458422867 /nfs/dbraw/zinc/42/28/67/458422867.db2.gz SSQQDORNEACNJC-UHFFFAOYSA-N 1 2 341.224 3.340 20 30 EGEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000430224679 458424678 /nfs/dbraw/zinc/42/46/78/458424678.db2.gz WFMLOWNFSHKRHX-OAHLLOKOSA-N 1 2 337.261 3.197 20 30 EGEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000430224679 458424679 /nfs/dbraw/zinc/42/46/79/458424679.db2.gz WFMLOWNFSHKRHX-OAHLLOKOSA-N 1 2 337.261 3.197 20 30 EGEDLO CC(=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc1 ZINC000450336776 458445414 /nfs/dbraw/zinc/44/54/14/458445414.db2.gz BETUYFWYXIUSNA-UHFFFAOYSA-N 1 2 337.398 3.222 20 30 EGEDLO Cc1c(C#N)c(N2CC[C@H](Oc3cc[nH+]cc3)C2)nc2ccccc12 ZINC000450373509 458446530 /nfs/dbraw/zinc/44/65/30/458446530.db2.gz ALOYCHNDGUKPFZ-INIZCTEOSA-N 1 2 330.391 3.468 20 30 EGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCC(C)(C)CCC#N ZINC000377044766 458448576 /nfs/dbraw/zinc/44/85/76/458448576.db2.gz QGVVOWPAUACKCF-HNNXBMFYSA-N 1 2 331.464 3.470 20 30 EGEDLO C=C(C)CCNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000455306043 458592623 /nfs/dbraw/zinc/59/26/23/458592623.db2.gz FWFRYODYTSREPF-UHFFFAOYSA-N 1 2 330.476 3.296 20 30 EGEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000455375259 458596136 /nfs/dbraw/zinc/59/61/36/458596136.db2.gz COXFHRBPPYRJRU-KRWDZBQOSA-N 1 2 336.439 3.256 20 30 EGEDLO C=C(CC)CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000455534701 458603514 /nfs/dbraw/zinc/60/35/14/458603514.db2.gz AAVCNCFQAYKDSS-HNNXBMFYSA-N 1 2 332.835 3.428 20 30 EGEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(F)cc2Br)nn1 ZINC000424299985 458609374 /nfs/dbraw/zinc/60/93/74/458609374.db2.gz WKWSHEOKNMOBMM-SNVBAGLBSA-N 1 2 339.212 3.217 20 30 EGEDLO CC#CCC[NH+]1CCN(C(=O)c2sc3ccccc3c2C)CC1 ZINC000462325776 458612830 /nfs/dbraw/zinc/61/28/30/458612830.db2.gz JDCICIGGJLOOHS-UHFFFAOYSA-N 1 2 326.465 3.381 20 30 EGEDLO C=CCn1c(Cc2ccccc2)nnc1SCc1c[nH+]cn1C ZINC000439541330 458722664 /nfs/dbraw/zinc/72/26/64/458722664.db2.gz KTLXRXQVKQXRAV-UHFFFAOYSA-N 1 2 325.441 3.081 20 30 EGEDLO C=CCOc1cccc(NC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000508620026 458760764 /nfs/dbraw/zinc/76/07/64/458760764.db2.gz ONDUCBHMSOORHF-BXWFABGCSA-N 1 2 346.471 3.324 20 30 EGEDLO CCCN(CCC)C(=O)C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000464817658 458778224 /nfs/dbraw/zinc/77/82/24/458778224.db2.gz HUCFLDPNHCVTQV-RTBURBONSA-N 1 2 327.472 3.407 20 30 EGEDLO CCCN(CCC)C(=O)C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000464817658 458778231 /nfs/dbraw/zinc/77/82/31/458778231.db2.gz HUCFLDPNHCVTQV-RTBURBONSA-N 1 2 327.472 3.407 20 30 EGEDLO C=CCCCCNC(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000472844349 458810455 /nfs/dbraw/zinc/81/04/55/458810455.db2.gz ASEFWAXEANGDAQ-UHFFFAOYSA-N 1 2 349.450 3.018 20 30 EGEDLO CC#CC[N@H+](C)CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000550129161 458884759 /nfs/dbraw/zinc/88/47/59/458884759.db2.gz VOXKJUDYFCIAEL-HXUWFJFHSA-N 1 2 338.476 3.177 20 30 EGEDLO CC#CC[N@@H+](C)CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000550129161 458884760 /nfs/dbraw/zinc/88/47/60/458884760.db2.gz VOXKJUDYFCIAEL-HXUWFJFHSA-N 1 2 338.476 3.177 20 30 EGEDLO Cc1noc([C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)C2CCOCC2)n1 ZINC000551833045 458889680 /nfs/dbraw/zinc/88/96/80/458889680.db2.gz GXHHGHNZIJOXJN-KRWDZBQOSA-N 1 2 345.830 3.140 20 30 EGEDLO COc1cccc(OC(F)(F)F)c1C[NH2+]C[C@@H](C#N)CCC#N ZINC000551943260 458890352 /nfs/dbraw/zinc/89/03/52/458890352.db2.gz XZTCAYQTKHUDMD-LLVKDONJSA-N 1 2 327.306 3.127 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](Nc1ncc(Br)cc1C#N)C1CC1 ZINC000576936233 458949634 /nfs/dbraw/zinc/94/96/34/458949634.db2.gz QSJMYHQVGOKGIT-LBPRGKRZSA-N 1 2 332.205 3.012 20 30 EGEDLO CC(C)CC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000442289940 459002571 /nfs/dbraw/zinc/00/25/71/459002571.db2.gz HTADMLYBOJAYHX-UHFFFAOYSA-N 1 2 325.456 3.029 20 30 EGEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccc(CC#N)cc1)C2 ZINC000566976777 459030645 /nfs/dbraw/zinc/03/06/45/459030645.db2.gz NWYGHCKFJODLOS-INIZCTEOSA-N 1 2 336.439 3.020 20 30 EGEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccc(CC#N)cc1)CC2 ZINC000566976777 459030649 /nfs/dbraw/zinc/03/06/49/459030649.db2.gz NWYGHCKFJODLOS-INIZCTEOSA-N 1 2 336.439 3.020 20 30 EGEDLO Cc1ccc(OC(F)F)c(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)c1 ZINC000589988409 459061370 /nfs/dbraw/zinc/06/13/70/459061370.db2.gz COFSTGDBXSQSPP-INIZCTEOSA-N 1 2 337.414 3.262 20 30 EGEDLO Cc1ccc(C[NH2+]C[C@H](C#N)CCC#N)c(OC[C@H]2CCCO2)c1 ZINC000567207658 459063067 /nfs/dbraw/zinc/06/30/67/459063067.db2.gz NNOAHTQMBPWGLD-FUHWJXTLSA-N 1 2 327.428 3.086 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000590262753 459106205 /nfs/dbraw/zinc/10/62/05/459106205.db2.gz OYQVSOODSLBDLP-LJQANCHMSA-N 1 2 329.407 3.306 20 30 EGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000532573291 459111713 /nfs/dbraw/zinc/11/17/13/459111713.db2.gz YELKJWIHEYQERU-GRYCIOLGSA-N 1 2 349.525 3.261 20 30 EGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000532573291 459111719 /nfs/dbraw/zinc/11/17/19/459111719.db2.gz YELKJWIHEYQERU-GRYCIOLGSA-N 1 2 349.525 3.261 20 30 EGEDLO Cc1c2cc(C)c(C)cc2sc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000577875950 459112839 /nfs/dbraw/zinc/11/28/39/459112839.db2.gz HLOJBHRXCUEIIA-GOSISDBHSA-N 1 2 329.469 3.400 20 30 EGEDLO N#Cc1nc(NCc2ccc(N3CCCCCC3)[nH+]c2)sc1Cl ZINC000590574394 459152583 /nfs/dbraw/zinc/15/25/83/459152583.db2.gz JEAPMPJNSJBNTJ-UHFFFAOYSA-N 1 2 347.875 3.478 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000496674747 459280812 /nfs/dbraw/zinc/28/08/12/459280812.db2.gz WGMZFVHEBUFSIR-DYVFJYSZSA-N 1 2 347.434 3.432 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000496674747 459280815 /nfs/dbraw/zinc/28/08/15/459280815.db2.gz WGMZFVHEBUFSIR-DYVFJYSZSA-N 1 2 347.434 3.432 20 30 EGEDLO C=CCCSCCNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000595443592 459304783 /nfs/dbraw/zinc/30/47/83/459304783.db2.gz WAQWYWSVITVAEX-UHFFFAOYSA-N 1 2 344.484 3.040 20 30 EGEDLO C=CCCSCCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000595445354 459305124 /nfs/dbraw/zinc/30/51/24/459305124.db2.gz ACWCVLDUZLLPJY-UHFFFAOYSA-N 1 2 348.516 3.180 20 30 EGEDLO C[C@@H](NC(=O)NCc1ccc[nH+]c1N1CCCC1)c1ccc(C#N)cc1 ZINC000595461640 459311333 /nfs/dbraw/zinc/31/13/33/459311333.db2.gz OQMGDDWLHIRIRA-OAHLLOKOSA-N 1 2 349.438 3.114 20 30 EGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595472233 459315256 /nfs/dbraw/zinc/31/52/56/459315256.db2.gz JGGLUDDTKSAGSZ-UHFFFAOYSA-N 1 2 340.358 3.186 20 30 EGEDLO CCc1ccc(C2=CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)cc1 ZINC000537854038 459367256 /nfs/dbraw/zinc/36/72/56/459367256.db2.gz NKMZAJYRRDOOGE-OAQYLSRUSA-N 1 2 339.483 3.393 20 30 EGEDLO CCc1ccc(C2=CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)cc1 ZINC000537854038 459367264 /nfs/dbraw/zinc/36/72/64/459367264.db2.gz NKMZAJYRRDOOGE-OAQYLSRUSA-N 1 2 339.483 3.393 20 30 EGEDLO Cc1ccc(F)c(N2CCC[C@@H]([N@@H+]3CCC[C@@H](CC#N)C3)C2=O)c1 ZINC000595615380 459369139 /nfs/dbraw/zinc/36/91/39/459369139.db2.gz QKIVNTLHRGDNMU-DOTOQJQBSA-N 1 2 329.419 3.255 20 30 EGEDLO Cc1ccc(F)c(N2CCC[C@@H]([N@H+]3CCC[C@@H](CC#N)C3)C2=O)c1 ZINC000595615380 459369143 /nfs/dbraw/zinc/36/91/43/459369143.db2.gz QKIVNTLHRGDNMU-DOTOQJQBSA-N 1 2 329.419 3.255 20 30 EGEDLO C=CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000595658625 459386065 /nfs/dbraw/zinc/38/60/65/459386065.db2.gz GFKKLUMHIVPSAX-GFCCVEGCSA-N 1 2 337.807 3.475 20 30 EGEDLO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000595658625 459386070 /nfs/dbraw/zinc/38/60/70/459386070.db2.gz GFKKLUMHIVPSAX-GFCCVEGCSA-N 1 2 337.807 3.475 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000582604674 459393871 /nfs/dbraw/zinc/39/38/71/459393871.db2.gz UPIYIQCDVLGNME-HOTGVXAUSA-N 1 2 348.512 3.295 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000582604674 459393873 /nfs/dbraw/zinc/39/38/73/459393873.db2.gz UPIYIQCDVLGNME-HOTGVXAUSA-N 1 2 348.512 3.295 20 30 EGEDLO COC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccc(C(F)(F)F)c1 ZINC000591740816 459428207 /nfs/dbraw/zinc/42/82/07/459428207.db2.gz NKVLQZHUJAYIEY-IUODEOHRSA-N 1 2 325.334 3.426 20 30 EGEDLO Cc1cc(Oc2ccccc2)ccc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000591773919 459432753 /nfs/dbraw/zinc/43/27/53/459432753.db2.gz CNPGKGZLADMRSE-QGZVFWFLSA-N 1 2 339.439 3.406 20 30 EGEDLO Cc1cc(Oc2ccccc2)ccc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000591773919 459432756 /nfs/dbraw/zinc/43/27/56/459432756.db2.gz CNPGKGZLADMRSE-QGZVFWFLSA-N 1 2 339.439 3.406 20 30 EGEDLO C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000569461605 459455948 /nfs/dbraw/zinc/45/59/48/459455948.db2.gz YBOPQUFNEYKRAS-BZNIZROVSA-N 1 2 342.270 3.132 20 30 EGEDLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2Cc2ccc(C#N)o2)C1 ZINC000497144173 459457997 /nfs/dbraw/zinc/45/79/97/459457997.db2.gz IVFJGPURDFIIGU-SFHVURJKSA-N 1 2 331.416 3.127 20 30 EGEDLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2Cc2ccc(C#N)o2)C1 ZINC000497144173 459458006 /nfs/dbraw/zinc/45/80/06/459458006.db2.gz IVFJGPURDFIIGU-SFHVURJKSA-N 1 2 331.416 3.127 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000497148434 459460931 /nfs/dbraw/zinc/46/09/31/459460931.db2.gz HEGUGDHCFSRZDV-LJQANCHMSA-N 1 2 347.434 3.434 20 30 EGEDLO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000497148434 459460934 /nfs/dbraw/zinc/46/09/34/459460934.db2.gz HEGUGDHCFSRZDV-LJQANCHMSA-N 1 2 347.434 3.434 20 30 EGEDLO COc1ccc2ncc(C#N)c(N3CCC(n4cc[nH+]c4)CC3)c2c1 ZINC000591904340 459475963 /nfs/dbraw/zinc/47/59/63/459475963.db2.gz XPOPHNIMIKXEMC-UHFFFAOYSA-N 1 2 333.395 3.153 20 30 EGEDLO Cc1cc(N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000497211935 459488410 /nfs/dbraw/zinc/48/84/10/459488410.db2.gz FGGWZQHZAMMWAR-HUUCEWRRSA-N 1 2 344.459 3.391 20 30 EGEDLO N#CC[C@]1(O)CC[N@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC000592145327 459535809 /nfs/dbraw/zinc/53/58/09/459535809.db2.gz SWYIFQCIUXUREK-KRWDZBQOSA-N 1 2 347.871 3.238 20 30 EGEDLO N#CC[C@]1(O)CC[N@@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC000592145327 459535818 /nfs/dbraw/zinc/53/58/18/459535818.db2.gz SWYIFQCIUXUREK-KRWDZBQOSA-N 1 2 347.871 3.238 20 30 EGEDLO N#CC1(NC(=O)C[N@@H+](Cc2cc(F)ccc2F)C2CCCC2)CCC1 ZINC000526135619 459554757 /nfs/dbraw/zinc/55/47/57/459554757.db2.gz YPSWNNBXBLUFCO-UHFFFAOYSA-N 1 2 347.409 3.272 20 30 EGEDLO N#CC1(NC(=O)C[N@H+](Cc2cc(F)ccc2F)C2CCCC2)CCC1 ZINC000526135619 459554763 /nfs/dbraw/zinc/55/47/63/459554763.db2.gz YPSWNNBXBLUFCO-UHFFFAOYSA-N 1 2 347.409 3.272 20 30 EGEDLO Fc1ccc(C#CC[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)cc1 ZINC000489014528 459558534 /nfs/dbraw/zinc/55/85/34/459558534.db2.gz ATMSBPREZKFYJW-KRWDZBQOSA-N 1 2 328.362 3.255 20 30 EGEDLO Fc1ccc(C#CC[N@H+]2CCC[C@H](Oc3ncccc3F)C2)cc1 ZINC000489014528 459558541 /nfs/dbraw/zinc/55/85/41/459558541.db2.gz ATMSBPREZKFYJW-KRWDZBQOSA-N 1 2 328.362 3.255 20 30 EGEDLO C=CCn1cccc1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000489046190 459559809 /nfs/dbraw/zinc/55/98/09/459559809.db2.gz GMAQTICIUYMDSV-UHFFFAOYSA-N 1 2 338.455 3.380 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC000571927026 459575003 /nfs/dbraw/zinc/57/50/03/459575003.db2.gz LWLSIEZKLTYYGS-LJQANCHMSA-N 1 2 343.377 3.205 20 30 EGEDLO C[C@@H]([NH2+]CCOc1ccccc1C#N)c1noc(Cc2ccccc2)n1 ZINC000542623187 459575572 /nfs/dbraw/zinc/57/55/72/459575572.db2.gz QHJQYOMVKLDSHY-OAHLLOKOSA-N 1 2 348.406 3.262 20 30 EGEDLO COC(=O)c1ccc(COc2ccccc2C[NH2+]C[C@@H](C)C#N)cc1 ZINC000527108593 459593150 /nfs/dbraw/zinc/59/31/50/459593150.db2.gz BFTSXZAKUUSQGT-HNNXBMFYSA-N 1 2 338.407 3.301 20 30 EGEDLO Cc1c(N2CCC[C@H](CC#N)C2)nc[nH+]c1N1CCC[C@H](CC#N)C1 ZINC000596326521 459596778 /nfs/dbraw/zinc/59/67/78/459596778.db2.gz UPMQJTHDEAERTH-IAGOWNOFSA-N 1 2 338.459 3.045 20 30 EGEDLO C#C[C@H](NC(=O)/C=C\c1[nH+]ccn1CC)c1ccc(Cl)cc1F ZINC000491097030 459598372 /nfs/dbraw/zinc/59/83/72/459598372.db2.gz YRKLKADTFDKIBZ-LZNQSLFOSA-N 1 2 331.778 3.199 20 30 EGEDLO CCc1nnc(NCc2ccc[nH+]c2N2CCCC2)c(C#N)c1CC ZINC000596356545 459606235 /nfs/dbraw/zinc/60/62/35/459606235.db2.gz JILVEFFVLHPZEM-UHFFFAOYSA-N 1 2 336.443 3.080 20 30 EGEDLO C#C[C@H](NC(=O)N[C@@H](C)c1[nH+]ccn1CC)c1ccc(Cl)cc1F ZINC000491327377 459616947 /nfs/dbraw/zinc/61/69/47/459616947.db2.gz VAKHPKOULHISMP-NHYWBVRUSA-N 1 2 348.809 3.430 20 30 EGEDLO COc1cccc2c1cc[nH+]c2N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000562695555 459623719 /nfs/dbraw/zinc/62/37/19/459623719.db2.gz NLBINNHYOGTNQZ-OAHLLOKOSA-N 1 2 346.390 3.168 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)/C=C/c1ccc(C#N)cc1)C2 ZINC000491419893 459625158 /nfs/dbraw/zinc/62/51/58/459625158.db2.gz RCIWTYGMAKKAEE-YRYLYKBFSA-N 1 2 348.450 3.197 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cc(C)nc3ccccc23)n1 ZINC000491453049 459628128 /nfs/dbraw/zinc/62/81/28/459628128.db2.gz OZUYSDLHVMYONE-UHFFFAOYSA-N 1 2 348.450 3.022 20 30 EGEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cc(C)nc3ccccc23)n1 ZINC000491453049 459628132 /nfs/dbraw/zinc/62/81/32/459628132.db2.gz OZUYSDLHVMYONE-UHFFFAOYSA-N 1 2 348.450 3.022 20 30 EGEDLO C#CC[N@H+](Cc1ccc(-c2ccsc2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000491495755 459631760 /nfs/dbraw/zinc/63/17/60/459631760.db2.gz LRDCLTMQGLCNOR-GOSISDBHSA-N 1 2 345.489 3.037 20 30 EGEDLO C#CC[N@@H+](Cc1ccc(-c2ccsc2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000491495755 459631763 /nfs/dbraw/zinc/63/17/63/459631763.db2.gz LRDCLTMQGLCNOR-GOSISDBHSA-N 1 2 345.489 3.037 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000573146457 459633894 /nfs/dbraw/zinc/63/38/94/459633894.db2.gz FRANIOLUURODRA-PKOBYXMFSA-N 1 2 330.472 3.181 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000573146457 459633896 /nfs/dbraw/zinc/63/38/96/459633896.db2.gz FRANIOLUURODRA-PKOBYXMFSA-N 1 2 330.472 3.181 20 30 EGEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(-c3ccccc3)o2)n1 ZINC000491723553 459660958 /nfs/dbraw/zinc/66/09/58/459660958.db2.gz CMHRGVFNCQKYQE-UHFFFAOYSA-N 1 2 349.434 3.425 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(-c3ccccc3)o2)n1 ZINC000491723553 459660966 /nfs/dbraw/zinc/66/09/66/459660966.db2.gz CMHRGVFNCQKYQE-UHFFFAOYSA-N 1 2 349.434 3.425 20 30 EGEDLO C[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1noc(Cc2ccccc2)n1 ZINC000543544088 459666866 /nfs/dbraw/zinc/66/68/66/459666866.db2.gz NCKWULDASWPJRX-OAHLLOKOSA-N 1 2 348.406 3.262 20 30 EGEDLO C#CC[N@H+](Cc1ccccc1)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000491804573 459676626 /nfs/dbraw/zinc/67/66/26/459676626.db2.gz LVUIEZNVLLXNBF-UHFFFAOYSA-N 1 2 327.449 3.116 20 30 EGEDLO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000491804573 459676629 /nfs/dbraw/zinc/67/66/29/459676629.db2.gz LVUIEZNVLLXNBF-UHFFFAOYSA-N 1 2 327.449 3.116 20 30 EGEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)/C=C/c1[nH+]ccn1CC ZINC000492494353 459707706 /nfs/dbraw/zinc/70/77/06/459707706.db2.gz QMTURPQYQMANAA-CMDGGOBGSA-N 1 2 340.383 3.039 20 30 EGEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3cccc(N4CCOC4=O)c3)n21 ZINC000493179063 459735830 /nfs/dbraw/zinc/73/58/30/459735830.db2.gz VRMUJOKINLIPKF-HJWRWDBZSA-N 1 2 347.374 3.495 20 30 EGEDLO N#Cc1cccc(OC2CC[NH+](Cc3cc4n(n3)CCCC4)CC2)c1 ZINC000593010752 459738843 /nfs/dbraw/zinc/73/88/43/459738843.db2.gz MFIFOXSJOMHLDH-UHFFFAOYSA-N 1 2 336.439 3.134 20 30 EGEDLO COc1cccc(/C=[NH+]/CCCNC(=O)/C=C/c2ccccc2)c1O ZINC000493395151 459743703 /nfs/dbraw/zinc/74/37/03/459743703.db2.gz SYUQAZJUHWOTSU-ZIKJKZHMSA-N 1 2 338.407 3.039 20 30 EGEDLO N#CC1(CNC(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CC1 ZINC000564886502 459778140 /nfs/dbraw/zinc/77/81/40/459778140.db2.gz QBOBWYDNAXFENO-UHFFFAOYSA-N 1 2 335.411 3.312 20 30 EGEDLO Cc1ccc(Oc2ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc2)cc1 ZINC000565770456 459788231 /nfs/dbraw/zinc/78/82/31/459788231.db2.gz UYNJZAVUPUOBQY-GOSISDBHSA-N 1 2 339.439 3.406 20 30 EGEDLO Cc1ccc(Oc2ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc2)cc1 ZINC000565770456 459788235 /nfs/dbraw/zinc/78/82/35/459788235.db2.gz UYNJZAVUPUOBQY-GOSISDBHSA-N 1 2 339.439 3.406 20 30 EGEDLO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1C[C@H](O)CC1(C#N)CC1 ZINC000528380186 459804412 /nfs/dbraw/zinc/80/44/12/459804412.db2.gz MOKGESCKWCCXMS-CKEIUWERSA-N 1 2 334.847 3.157 20 30 EGEDLO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1C[C@H](O)CC1(C#N)CC1 ZINC000528380186 459804416 /nfs/dbraw/zinc/80/44/16/459804416.db2.gz MOKGESCKWCCXMS-CKEIUWERSA-N 1 2 334.847 3.157 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(C3CCCCC3)s2)C1=O ZINC000545285389 459820474 /nfs/dbraw/zinc/82/04/74/459820474.db2.gz CRBPBSATTRHQAE-MRXNPFEDSA-N 1 2 333.501 3.410 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(C3CCCCC3)s2)C1=O ZINC000545285389 459820476 /nfs/dbraw/zinc/82/04/76/459820476.db2.gz CRBPBSATTRHQAE-MRXNPFEDSA-N 1 2 333.501 3.410 20 30 EGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000566309319 459840074 /nfs/dbraw/zinc/84/00/74/459840074.db2.gz NRKQLAKASLERNI-FQEVSTJZSA-N 1 2 335.407 3.089 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]3C3CCCC3)CC2)cc1 ZINC000593389114 459874891 /nfs/dbraw/zinc/87/48/91/459874891.db2.gz OABDBWLDVNFXGT-VQTJNVASSA-N 1 2 337.467 3.029 20 30 EGEDLO N#Cc1ccc(Oc2ccc(NC(=O)CCc3[nH]cc[nH+]3)cn2)cc1 ZINC000588343325 459948530 /nfs/dbraw/zinc/94/85/30/459948530.db2.gz ZENHPCHADCQBTR-UHFFFAOYSA-N 1 2 333.351 3.040 20 30 EGEDLO CCOC(=O)c1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)[nH]1 ZINC000602487276 459964688 /nfs/dbraw/zinc/96/46/88/459964688.db2.gz WLMATKHDDHOIIE-HKUYNNGSSA-N 1 2 337.423 3.463 20 30 EGEDLO CCOC(=O)c1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)[nH]1 ZINC000602487276 459964697 /nfs/dbraw/zinc/96/46/97/459964697.db2.gz WLMATKHDDHOIIE-HKUYNNGSSA-N 1 2 337.423 3.463 20 30 EGEDLO Cc1cc(N2CCOCC2)ccc1[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602493030 459966845 /nfs/dbraw/zinc/96/68/45/459966845.db2.gz HUIGRSRFGAEHAR-QGZVFWFLSA-N 1 2 343.471 3.343 20 30 EGEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000609538781 459977303 /nfs/dbraw/zinc/97/73/03/459977303.db2.gz NTEHQRXSQMEAIX-IBGZPJMESA-N 1 2 342.418 3.146 20 30 EGEDLO Cc1ccc(C#N)nc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000589103194 460029595 /nfs/dbraw/zinc/02/95/95/460029595.db2.gz GCJNTEJYIYGCTA-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(I)s2)C1 ZINC000602705883 460077267 /nfs/dbraw/zinc/07/72/67/460077267.db2.gz OJKZERZBJZMYIV-JTQLQIEISA-N 1 2 346.237 3.478 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccc(I)s2)C1 ZINC000602705883 460077270 /nfs/dbraw/zinc/07/72/70/460077270.db2.gz OJKZERZBJZMYIV-JTQLQIEISA-N 1 2 346.237 3.478 20 30 EGEDLO Cc1cccc2[nH+]c(CNc3c(C#N)cnc4c(F)ccc(F)c43)cn21 ZINC000610277921 460104951 /nfs/dbraw/zinc/10/49/51/460104951.db2.gz JXIKBVKCHOKONX-UHFFFAOYSA-N 1 2 349.344 3.375 20 30 EGEDLO Cc1cc(C#N)ccc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000614397652 460128417 /nfs/dbraw/zinc/12/84/17/460128417.db2.gz MEDFWYKWPNMUEL-UHFFFAOYSA-N 1 2 330.435 3.056 20 30 EGEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000618789453 460174062 /nfs/dbraw/zinc/17/40/62/460174062.db2.gz IXUJCCUBGNZNIQ-HXUWFJFHSA-N 1 2 342.402 3.220 20 30 EGEDLO N#Cc1ccncc1N1CC[NH+](C/C=C/c2ccc(F)cc2F)CC1 ZINC000576773044 460210602 /nfs/dbraw/zinc/21/06/02/460210602.db2.gz VEOYTUHYZDKKLW-OWOJBTEDSA-N 1 2 340.377 3.067 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000611177140 460301206 /nfs/dbraw/zinc/30/12/06/460301206.db2.gz ZAPYYMYFSONESP-KOLCDFICSA-N 1 2 345.752 3.423 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000611177140 460301212 /nfs/dbraw/zinc/30/12/12/460301212.db2.gz ZAPYYMYFSONESP-KOLCDFICSA-N 1 2 345.752 3.423 20 30 EGEDLO Cc1nc(C)c(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)s1 ZINC000611551821 460395765 /nfs/dbraw/zinc/39/57/65/460395765.db2.gz UXCPFOQZPSWFEU-KRWDZBQOSA-N 1 2 344.459 3.282 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+]2C[C@@H](C(F)(F)F)CC[C@H]2C)c(C#N)c1C ZINC000611554253 460397414 /nfs/dbraw/zinc/39/74/14/460397414.db2.gz JJOVNGXNTJQUTA-SKDRFNHKSA-N 1 2 343.349 3.369 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@@H](C(F)(F)F)CC[C@H]2C)c(C#N)c1C ZINC000611554253 460397416 /nfs/dbraw/zinc/39/74/16/460397416.db2.gz JJOVNGXNTJQUTA-SKDRFNHKSA-N 1 2 343.349 3.369 20 30 EGEDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000611555120 460397586 /nfs/dbraw/zinc/39/75/86/460397586.db2.gz NFBMPIWHBDOKNS-YPMHNXCESA-N 1 2 325.334 3.160 20 30 EGEDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000611555120 460397592 /nfs/dbraw/zinc/39/75/92/460397592.db2.gz NFBMPIWHBDOKNS-YPMHNXCESA-N 1 2 325.334 3.160 20 30 EGEDLO CCC[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1F ZINC000604503410 460437046 /nfs/dbraw/zinc/43/70/46/460437046.db2.gz NHBKRCJNVFAOHV-UHFFFAOYSA-N 1 2 331.435 3.380 20 30 EGEDLO CCC[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1F ZINC000604503410 460437052 /nfs/dbraw/zinc/43/70/52/460437052.db2.gz NHBKRCJNVFAOHV-UHFFFAOYSA-N 1 2 331.435 3.380 20 30 EGEDLO C=CCCOCC(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000607877933 460924765 /nfs/dbraw/zinc/92/47/65/460924765.db2.gz DOTLWWIKHCOCCM-OAHLLOKOSA-N 1 2 336.863 3.138 20 30 EGEDLO Cc1nc(NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)sc1SCC#N ZINC000602089489 461006775 /nfs/dbraw/zinc/00/67/75/461006775.db2.gz SZBOPHAOFRJLIM-LBPRGKRZSA-N 1 2 336.486 3.023 20 30 EGEDLO Cc1nc(NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)sc1SCC#N ZINC000602089489 461006779 /nfs/dbraw/zinc/00/67/79/461006779.db2.gz SZBOPHAOFRJLIM-LBPRGKRZSA-N 1 2 336.486 3.023 20 30 EGEDLO N#Cc1cc(Nc2ccc(N3CCc4sccc4C3)[nH+]c2)ncn1 ZINC000617937771 461032813 /nfs/dbraw/zinc/03/28/13/461032813.db2.gz ROECFICHYYQTEV-UHFFFAOYSA-N 1 2 334.408 3.111 20 30 EGEDLO C=CC[C@H]1CCCN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000665797355 461273524 /nfs/dbraw/zinc/27/35/24/461273524.db2.gz BARIVOVZKJCOGV-KRWDZBQOSA-N 1 2 343.471 3.339 20 30 EGEDLO CC[N@H+](CCCNC(=O)NCC#Cc1ccccc1)c1ccccc1 ZINC000642105420 461447812 /nfs/dbraw/zinc/44/78/12/461447812.db2.gz SWQURVNYEMVZSP-UHFFFAOYSA-N 1 2 335.451 3.254 20 30 EGEDLO CC[N@@H+](CCCNC(=O)NCC#Cc1ccccc1)c1ccccc1 ZINC000642105420 461447825 /nfs/dbraw/zinc/44/78/25/461447825.db2.gz SWQURVNYEMVZSP-UHFFFAOYSA-N 1 2 335.451 3.254 20 30 EGEDLO C=CCCn1cc(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)nn1 ZINC000653489395 461669752 /nfs/dbraw/zinc/66/97/52/461669752.db2.gz AULRLVRMFSIJJK-MRXNPFEDSA-N 1 2 332.473 3.097 20 30 EGEDLO C=CCCn1cc(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)nn1 ZINC000653489395 461669759 /nfs/dbraw/zinc/66/97/59/461669759.db2.gz AULRLVRMFSIJJK-MRXNPFEDSA-N 1 2 332.473 3.097 20 30 EGEDLO C=CCCOCC(=O)NCc1ccc2c(c1)[nH+]c(CC)n2C1CC1 ZINC000669989993 461858832 /nfs/dbraw/zinc/85/88/32/461858832.db2.gz DFOZSSDGNCQDMT-UHFFFAOYSA-N 1 2 327.428 3.143 20 30 EGEDLO C=CCCc1ccccc1NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000667028810 461919456 /nfs/dbraw/zinc/91/94/56/461919456.db2.gz GQLTTXCDSNWPSW-JKSUJKDBSA-N 1 2 331.460 3.036 20 30 EGEDLO C=CCCc1ccccc1NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000667028810 461919459 /nfs/dbraw/zinc/91/94/59/461919459.db2.gz GQLTTXCDSNWPSW-JKSUJKDBSA-N 1 2 331.460 3.036 20 30 EGEDLO C=CC[C@@H]1CCCN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC000660784705 461970430 /nfs/dbraw/zinc/97/04/30/461970430.db2.gz CYVQTOHIHYTJHB-MRXNPFEDSA-N 1 2 326.444 3.183 20 30 EGEDLO C=CCCn1cc(C[NH2+]Cc2ccc(OC3CCCCC3)nc2)nn1 ZINC000657339382 462057800 /nfs/dbraw/zinc/05/78/00/462057800.db2.gz SCJXBQIHNKZRDD-UHFFFAOYSA-N 1 2 341.459 3.251 20 30 EGEDLO C=CC[N@@H+](Cc1cc2cccc(CC)c2o1)[C@H]1CCS(=O)(=O)C1 ZINC000667540980 462134682 /nfs/dbraw/zinc/13/46/82/462134682.db2.gz ACDSXUTZHQODOO-INIZCTEOSA-N 1 2 333.453 3.170 20 30 EGEDLO C=CC[N@H+](Cc1cc2cccc(CC)c2o1)[C@H]1CCS(=O)(=O)C1 ZINC000667540980 462134686 /nfs/dbraw/zinc/13/46/86/462134686.db2.gz ACDSXUTZHQODOO-INIZCTEOSA-N 1 2 333.453 3.170 20 30 EGEDLO C=CC[N@H+](Cc1nnnn1-c1ccc(C(F)(F)F)cc1)C(C)(C)C ZINC000661754875 462399121 /nfs/dbraw/zinc/39/91/21/462399121.db2.gz DZNUMRJFYYRRTP-UHFFFAOYSA-N 1 2 339.365 3.468 20 30 EGEDLO C=CC[N@@H+](Cc1nnnn1-c1ccc(C(F)(F)F)cc1)C(C)(C)C ZINC000661754875 462399126 /nfs/dbraw/zinc/39/91/26/462399126.db2.gz DZNUMRJFYYRRTP-UHFFFAOYSA-N 1 2 339.365 3.468 20 30 EGEDLO C=C[C@H](CO)[NH2+][C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000662167031 462533703 /nfs/dbraw/zinc/53/37/03/462533703.db2.gz ORBSKEJDCBGFAA-WCBMZHEXSA-N 1 2 328.199 3.241 20 30 EGEDLO Cc1nc(NCc2cccc(C(=O)N[C@H](C#N)CC(C)C)c2)cc[nH+]1 ZINC000612535266 469489799 /nfs/dbraw/zinc/48/97/99/469489799.db2.gz DOYBVHJDAFIVJH-KRWDZBQOSA-N 1 2 337.427 3.065 20 30 EGEDLO C[C@@](C#N)(NC(=O)C[N@H+](Cc1ccco1)Cc1ccccc1)C1CC1 ZINC000042979153 525737715 /nfs/dbraw/zinc/73/77/15/525737715.db2.gz GMQHZTCWDUWQJL-FQEVSTJZSA-N 1 2 337.423 3.090 20 30 EGEDLO C[C@@](C#N)(NC(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1)C1CC1 ZINC000042979153 525737719 /nfs/dbraw/zinc/73/77/19/525737719.db2.gz GMQHZTCWDUWQJL-FQEVSTJZSA-N 1 2 337.423 3.090 20 30 EGEDLO CC(C)(C)Oc1cc[nH+]cc1NC(=O)COc1ccc(C#N)cc1 ZINC000132145380 526593796 /nfs/dbraw/zinc/59/37/96/526593796.db2.gz FNPSRLHGEOQCJT-UHFFFAOYSA-N 1 2 325.368 3.148 20 30 EGEDLO C=C(C)[C@H](NC(=O)NCCCn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000187357867 526819607 /nfs/dbraw/zinc/81/96/07/526819607.db2.gz WYJUDCSHDQQICE-INIZCTEOSA-N 1 2 334.370 3.168 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000187195926 527619408 /nfs/dbraw/zinc/61/94/08/527619408.db2.gz UKVRXOVIAZNIQZ-HXUWFJFHSA-N 1 2 345.487 3.307 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000186312952 547127571 /nfs/dbraw/zinc/12/75/71/547127571.db2.gz LHCLISAUQOZNKR-FQEVSTJZSA-N 1 2 334.419 3.341 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000186312952 547127575 /nfs/dbraw/zinc/12/75/75/547127575.db2.gz LHCLISAUQOZNKR-FQEVSTJZSA-N 1 2 334.419 3.341 20 30 EGEDLO O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)C(C1CC1)C1CC1 ZINC000328746327 547484768 /nfs/dbraw/zinc/48/47/68/547484768.db2.gz PSLZMZMSTKOOPR-UHFFFAOYSA-N 1 2 340.427 3.424 20 30 EGEDLO O=C(C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1)NC(=O)NC1CC1 ZINC000329996737 547511467 /nfs/dbraw/zinc/51/14/67/547511467.db2.gz PJEVZBKDEWTUAP-CQSZACIVSA-N 1 2 342.399 3.388 20 30 EGEDLO O=C(C[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1)NC(=O)NC1CC1 ZINC000329996737 547511469 /nfs/dbraw/zinc/51/14/69/547511469.db2.gz PJEVZBKDEWTUAP-CQSZACIVSA-N 1 2 342.399 3.388 20 30 EGEDLO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000333576741 547538400 /nfs/dbraw/zinc/53/84/00/547538400.db2.gz JLCWZXSICHWENA-RCBQFDQVSA-N 1 2 349.381 3.065 20 30 EGEDLO C=CCOc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000680807057 549911965 /nfs/dbraw/zinc/91/19/65/549911965.db2.gz URJZVUCAMFBWED-NVXWUHKLSA-N 1 2 341.411 3.227 20 30 EGEDLO C=CCOc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000680807057 549911968 /nfs/dbraw/zinc/91/19/68/549911968.db2.gz URJZVUCAMFBWED-NVXWUHKLSA-N 1 2 341.411 3.227 20 30 EGEDLO CCC#C[C@H](C)[NH+]1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000684007248 550282155 /nfs/dbraw/zinc/28/21/55/550282155.db2.gz AETXMHQDVPIKNA-HNNXBMFYSA-N 1 2 326.465 3.461 20 30 EGEDLO C#Cc1cccc(NC(=S)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000726448526 574554205 /nfs/dbraw/zinc/55/42/05/574554205.db2.gz GLQALTYILRLGIE-UHFFFAOYSA-N 1 2 341.505 3.244 20 30 EGEDLO C#CCCOC(=O)c1ccccc1OCc1cn2cccc(C)c2[nH+]1 ZINC000727042558 574636213 /nfs/dbraw/zinc/63/62/13/574636213.db2.gz KGKUHLISKLLPSK-UHFFFAOYSA-N 1 2 334.375 3.402 20 30 EGEDLO Fc1ccc(F)c(CN[NH+]=Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000727255304 574655933 /nfs/dbraw/zinc/65/59/33/574655933.db2.gz NMPGAMXULIGTQS-UHFFFAOYSA-N 1 2 349.356 3.064 20 30 EGEDLO Cc1c(N[NH+]=Cc2ccccc2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000727973348 574707842 /nfs/dbraw/zinc/70/78/42/574707842.db2.gz ILQHSKJXCJVQOB-UHFFFAOYSA-N 1 2 340.383 3.186 20 30 EGEDLO CC(=[NH+]NC(=S)Nc1ccc(N(C)C)cc1)c1ccc(N)cc1 ZINC000729637068 574874754 /nfs/dbraw/zinc/87/47/54/574874754.db2.gz UCENITSKTVQDBK-UHFFFAOYSA-N 1 2 327.457 3.045 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000731370440 575069474 /nfs/dbraw/zinc/06/94/74/575069474.db2.gz NEKIYDDUMKBJKX-FQEVSTJZSA-N 1 2 345.402 3.387 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000731370440 575069476 /nfs/dbraw/zinc/06/94/76/575069476.db2.gz NEKIYDDUMKBJKX-FQEVSTJZSA-N 1 2 345.402 3.387 20 30 EGEDLO C=CC[C@@H](NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)c1ccncc1 ZINC000734679980 575540955 /nfs/dbraw/zinc/54/09/55/575540955.db2.gz LKHJBGUBVJCUAS-HZPDHXFCSA-N 1 2 325.416 3.359 20 30 EGEDLO Cc1ccnc(N=NCc2c[nH+]c3ccc(Br)cn23)c1 ZINC000755904583 575943577 /nfs/dbraw/zinc/94/35/77/575943577.db2.gz FMGOXRDLRPLDCT-UHFFFAOYSA-N 1 2 330.189 3.246 20 30 EGEDLO Cc1c(C(=O)/C=C\c2c[nH+]c3ccccn23)nnn1-c1ccccc1 ZINC000740765109 576624139 /nfs/dbraw/zinc/62/41/39/576624139.db2.gz PXFCCVMRYBSMLS-KHPPLWFESA-N 1 2 329.363 3.120 20 30 EGEDLO CC[C@@H]1C[N@H+](CCC#N)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC000740888315 576634392 /nfs/dbraw/zinc/63/43/92/576634392.db2.gz PMPPLNRDNWPHPR-ZWKOTPCHSA-N 1 2 329.444 3.412 20 30 EGEDLO CC[C@@H]1C[N@@H+](CCC#N)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC000740888315 576634393 /nfs/dbraw/zinc/63/43/93/576634393.db2.gz PMPPLNRDNWPHPR-ZWKOTPCHSA-N 1 2 329.444 3.412 20 30 EGEDLO Cc1nc(Cl)cc(N[NH+]=Cc2ccccc2N2CCO[C@@H](C)C2)n1 ZINC000741766004 576718491 /nfs/dbraw/zinc/71/84/91/576718491.db2.gz HJQOMXRRDXFCPK-LBPRGKRZSA-N 1 2 345.834 3.110 20 30 EGEDLO C=CC1CC[NH+](Cn2c3cnccc3n(Cc3ccccc3)c2=O)CC1 ZINC000742148303 576751936 /nfs/dbraw/zinc/75/19/36/576751936.db2.gz XLLIDEXYQQAUGG-UHFFFAOYSA-N 1 2 348.450 3.102 20 30 EGEDLO CON=Cc1ccc(C(=O)NCCNc2ccc3ccccc3[nH+]2)cc1 ZINC000742181083 576756436 /nfs/dbraw/zinc/75/64/36/576756436.db2.gz SPHUHJLNVHKRMO-UHFFFAOYSA-N 1 2 348.406 3.057 20 30 EGEDLO C#CC[N@@H+](CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)Cc1ccc(F)cc1 ZINC000744206452 576823041 /nfs/dbraw/zinc/82/30/41/576823041.db2.gz MPXUESIZMQIHGB-QFBILLFUSA-N 1 2 330.447 3.298 20 30 EGEDLO C#CC[N@H+](CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)Cc1ccc(F)cc1 ZINC000744206452 576823042 /nfs/dbraw/zinc/82/30/42/576823042.db2.gz MPXUESIZMQIHGB-QFBILLFUSA-N 1 2 330.447 3.298 20 30 EGEDLO C#CC[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)Cc1ccc(F)cc1 ZINC000744208711 576823093 /nfs/dbraw/zinc/82/30/93/576823093.db2.gz DGIRSKCFSURCRK-QUCCMNQESA-N 1 2 342.458 3.442 20 30 EGEDLO C#CC[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)Cc1ccc(F)cc1 ZINC000744208711 576823094 /nfs/dbraw/zinc/82/30/94/576823094.db2.gz DGIRSKCFSURCRK-QUCCMNQESA-N 1 2 342.458 3.442 20 30 EGEDLO C#CC[N@@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)Cc1ccc(F)cc1 ZINC000744211272 576823189 /nfs/dbraw/zinc/82/31/89/576823189.db2.gz IZCDANPLNKGXKQ-GPMSIDNRSA-N 1 2 330.447 3.202 20 30 EGEDLO C#CC[N@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)Cc1ccc(F)cc1 ZINC000744211272 576823190 /nfs/dbraw/zinc/82/31/90/576823190.db2.gz IZCDANPLNKGXKQ-GPMSIDNRSA-N 1 2 330.447 3.202 20 30 EGEDLO C[C@@H]1c2ccccc2CC[N@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000744398455 576827175 /nfs/dbraw/zinc/82/71/75/576827175.db2.gz SZHSRDVXTPCZGK-OAHLLOKOSA-N 1 2 344.418 3.039 20 30 EGEDLO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000744398455 576827176 /nfs/dbraw/zinc/82/71/76/576827176.db2.gz SZHSRDVXTPCZGK-OAHLLOKOSA-N 1 2 344.418 3.039 20 30 EGEDLO CC[N@H+](C)[C@@H](C(=O)OCCOc1ccccc1C#N)c1ccccc1 ZINC000745100040 576841079 /nfs/dbraw/zinc/84/10/79/576841079.db2.gz LSRWFVUVTXDIGG-LJQANCHMSA-N 1 2 338.407 3.173 20 30 EGEDLO CC[N@@H+](C)[C@@H](C(=O)OCCOc1ccccc1C#N)c1ccccc1 ZINC000745100040 576841080 /nfs/dbraw/zinc/84/10/80/576841080.db2.gz LSRWFVUVTXDIGG-LJQANCHMSA-N 1 2 338.407 3.173 20 30 EGEDLO C[NH+](C)[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc(F)cc1 ZINC000126919516 1293547850 /nfs/dbraw/zinc/54/78/50/1293547850.db2.gz GOKLASXWXHAMNE-JJLFXSABSA-N 1 2 331.347 3.161 20 30 EGEDLO C[NH+](C)[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc(F)cc1 ZINC000126919781 1293548061 /nfs/dbraw/zinc/54/80/61/1293548061.db2.gz GOKLASXWXHAMNE-MWJIIQFGSA-N 1 2 331.347 3.161 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+]2CC[C@@H](C)[C@H]2C)c1=S ZINC000174963827 1294534358 /nfs/dbraw/zinc/53/43/58/1294534358.db2.gz ZQTITVRCELISPQ-ZIAGYGMSSA-N 1 2 329.473 3.350 20 30 EGEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+]2CC[C@@H](C)[C@H]2C)c1=S ZINC000174963827 1294534366 /nfs/dbraw/zinc/53/43/66/1294534366.db2.gz ZQTITVRCELISPQ-ZIAGYGMSSA-N 1 2 329.473 3.350 20 30 EGEDLO NC(=[NH+]OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000179342759 1294787786 /nfs/dbraw/zinc/78/77/86/1294787786.db2.gz IPVHKPDTMKHARR-UHFFFAOYSA-N 1 2 338.323 3.087 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2CC[C@H](C)[C@H]2CC)c1=S ZINC000184990131 1295234192 /nfs/dbraw/zinc/23/41/92/1295234192.db2.gz FNAVBTKYPNVYMK-DZGCQCFKSA-N 1 2 344.488 3.135 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2CC[C@H](C)[C@H]2CC)c1=S ZINC000184990131 1295234200 /nfs/dbraw/zinc/23/42/00/1295234200.db2.gz FNAVBTKYPNVYMK-DZGCQCFKSA-N 1 2 344.488 3.135 20 30 EGEDLO C[C@@H]1CCCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)C1 ZINC000328763851 1297258428 /nfs/dbraw/zinc/25/84/28/1297258428.db2.gz FYZFXAVFARTXKK-PBHICJAKSA-N 1 2 346.475 3.116 20 30 EGEDLO C[C@@H]1CCCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)C1 ZINC000328763851 1297258437 /nfs/dbraw/zinc/25/84/37/1297258437.db2.gz FYZFXAVFARTXKK-PBHICJAKSA-N 1 2 346.475 3.116 20 30 EGEDLO FC(F)(F)c1ccc(C#CC[N@@H+]2CCCC[C@@H]2C2OCCO2)cc1 ZINC000748049809 1298917253 /nfs/dbraw/zinc/91/72/53/1298917253.db2.gz SDHRMBJKUBSTOC-MRXNPFEDSA-N 1 2 339.357 3.284 20 30 EGEDLO FC(F)(F)c1ccc(C#CC[N@H+]2CCCC[C@@H]2C2OCCO2)cc1 ZINC000748049809 1298917261 /nfs/dbraw/zinc/91/72/61/1298917261.db2.gz SDHRMBJKUBSTOC-MRXNPFEDSA-N 1 2 339.357 3.284 20 30 EGEDLO C=CC[N@H+](Cc1csc(CNC(=O)c2ccccc2)n1)C(C)C ZINC000750816864 1299458314 /nfs/dbraw/zinc/45/83/14/1299458314.db2.gz AWCPEUSYWUGJED-UHFFFAOYSA-N 1 2 329.469 3.470 20 30 EGEDLO C=CC[N@@H+](Cc1csc(CNC(=O)c2ccccc2)n1)C(C)C ZINC000750816864 1299458317 /nfs/dbraw/zinc/45/83/17/1299458317.db2.gz AWCPEUSYWUGJED-UHFFFAOYSA-N 1 2 329.469 3.470 20 30 EGEDLO C=CCc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c(O)c(OC)c1 ZINC000754736097 1300204029 /nfs/dbraw/zinc/20/40/29/1300204029.db2.gz FXQUDHQXCHINJK-IAQYHMDHSA-N 1 2 345.361 3.281 20 30 EGEDLO C=CCc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c(O)c(OC)c1 ZINC000754736097 1300204035 /nfs/dbraw/zinc/20/40/35/1300204035.db2.gz FXQUDHQXCHINJK-IAQYHMDHSA-N 1 2 345.361 3.281 20 30 EGEDLO C(=[NH+]Nc1cccc2c1CCCC2)c1cnc(N2CCOCC2)s1 ZINC000755660880 1300374824 /nfs/dbraw/zinc/37/48/24/1300374824.db2.gz JCZGCSKYFGQAFU-UHFFFAOYSA-N 1 2 342.468 3.305 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cccc(C#N)c1F ZINC000879226246 1300436706 /nfs/dbraw/zinc/43/67/06/1300436706.db2.gz LVYUMLZWOJWJDJ-SWLSCSKDSA-N 1 2 333.407 3.185 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cccc(C#N)c1F ZINC000879226246 1300436712 /nfs/dbraw/zinc/43/67/12/1300436712.db2.gz LVYUMLZWOJWJDJ-SWLSCSKDSA-N 1 2 333.407 3.185 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1sc(-c2ccc(C)o2)nc1C ZINC000756542236 1300516856 /nfs/dbraw/zinc/51/68/56/1300516856.db2.gz GSIXGJFCNGNQQW-AWEZNQCLSA-N 1 2 344.436 3.274 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1sc(-c2ccc(C)o2)nc1C ZINC000756542236 1300516863 /nfs/dbraw/zinc/51/68/63/1300516863.db2.gz GSIXGJFCNGNQQW-AWEZNQCLSA-N 1 2 344.436 3.274 20 30 EGEDLO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756785077 1300565810 /nfs/dbraw/zinc/56/58/10/1300565810.db2.gz AGTXCCFNSGPERH-VHSXEESVSA-N 1 2 332.213 3.129 20 30 EGEDLO Cc1ccn(C[N@@H+]2C[C@H](C)C[C@@H]2c2ccccc2F)c(=O)c1C#N ZINC000758222627 1300821359 /nfs/dbraw/zinc/82/13/59/1300821359.db2.gz GEPATGBWPHGBBR-FZKQIMNGSA-N 1 2 325.387 3.208 20 30 EGEDLO Cc1ccn(C[N@H+]2C[C@H](C)C[C@@H]2c2ccccc2F)c(=O)c1C#N ZINC000758222627 1300821373 /nfs/dbraw/zinc/82/13/73/1300821373.db2.gz GEPATGBWPHGBBR-FZKQIMNGSA-N 1 2 325.387 3.208 20 30 EGEDLO COC(=O)[C@@H](C)Oc1ccc(C=NNc2cc[nH+]c3ccccc23)cc1 ZINC000758369487 1300862455 /nfs/dbraw/zinc/86/24/55/1300862455.db2.gz GZKVJWQLUWBTCI-CQSZACIVSA-N 1 2 349.390 3.043 20 30 EGEDLO COc1cc(C(=O)/C=C\c2c[nH+]c3cccc(C)n23)c(OC)cc1O ZINC000763105577 1301825247 /nfs/dbraw/zinc/82/52/47/1301825247.db2.gz MSNGRSSNUKOSMD-FPLPWBNLSA-N 1 2 338.363 3.262 20 30 EGEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@H](C3CC3)C2)nc1-c1cccnc1 ZINC000763333346 1301880072 /nfs/dbraw/zinc/88/00/72/1301880072.db2.gz QQSMXDRPUWDXOW-INIZCTEOSA-N 1 2 341.484 3.351 20 30 EGEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@H](C3CC3)C2)nc1-c1cccnc1 ZINC000763333346 1301880076 /nfs/dbraw/zinc/88/00/76/1301880076.db2.gz QQSMXDRPUWDXOW-INIZCTEOSA-N 1 2 341.484 3.351 20 30 EGEDLO C#CCN(CC)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000764512552 1302077864 /nfs/dbraw/zinc/07/78/64/1302077864.db2.gz BXWWSLQYHCWONB-INIZCTEOSA-N 1 2 349.272 3.068 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](C)[C@@H](C)C(C)(C)C)c1=S ZINC000764877582 1302157328 /nfs/dbraw/zinc/15/73/28/1302157328.db2.gz GOJNBDINQNNUNN-ZDUSSCGKSA-N 1 2 346.504 3.381 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](C)[C@@H](C)C(C)(C)C)c1=S ZINC000764877582 1302157335 /nfs/dbraw/zinc/15/73/35/1302157335.db2.gz GOJNBDINQNNUNN-ZDUSSCGKSA-N 1 2 346.504 3.381 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](c2ccccc2)c2ccccc21 ZINC000768077124 1302817317 /nfs/dbraw/zinc/81/73/17/1302817317.db2.gz FAGJSQOMOZSOJF-CTNGQTDRSA-N 1 2 330.431 3.263 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](c2ccccc2)c2ccccc21 ZINC000768077124 1302817327 /nfs/dbraw/zinc/81/73/27/1302817327.db2.gz FAGJSQOMOZSOJF-CTNGQTDRSA-N 1 2 330.431 3.263 20 30 EGEDLO CC(C)C[N@H+](CCC#N)Cc1ccccc1OCC(=O)N1CCCC1 ZINC000768155226 1302840703 /nfs/dbraw/zinc/84/07/03/1302840703.db2.gz WKYLMMPUPRIBKV-UHFFFAOYSA-N 1 2 343.471 3.059 20 30 EGEDLO CC(C)C[N@@H+](CCC#N)Cc1ccccc1OCC(=O)N1CCCC1 ZINC000768155226 1302840711 /nfs/dbraw/zinc/84/07/11/1302840711.db2.gz WKYLMMPUPRIBKV-UHFFFAOYSA-N 1 2 343.471 3.059 20 30 EGEDLO N#CCCNC(=O)C[N@H+]1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000769222627 1303075448 /nfs/dbraw/zinc/07/54/48/1303075448.db2.gz UIYUDBIBQNRFSY-HNNXBMFYSA-N 1 2 339.361 3.262 20 30 EGEDLO N#CCCNC(=O)C[N@@H+]1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000769222627 1303075453 /nfs/dbraw/zinc/07/54/53/1303075453.db2.gz UIYUDBIBQNRFSY-HNNXBMFYSA-N 1 2 339.361 3.262 20 30 EGEDLO c1cn2c(cccc2CN=Nc2ncnc3c4ccccc4oc32)[nH+]1 ZINC000771099104 1303359294 /nfs/dbraw/zinc/35/92/94/1303359294.db2.gz WKXWLCPSRUSMAB-UHFFFAOYSA-N 1 2 328.335 3.470 20 30 EGEDLO C=CCN(C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)C1CC1 ZINC000772491350 1303539182 /nfs/dbraw/zinc/53/91/82/1303539182.db2.gz JMKUQOZGICJWFS-UHFFFAOYSA-N 1 2 342.487 3.081 20 30 EGEDLO C#CCOc1ccccc1C[NH2+][C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000772989648 1303602609 /nfs/dbraw/zinc/60/26/09/1303602609.db2.gz YDMKMTJQQLGVKA-INIZCTEOSA-N 1 2 346.434 3.439 20 30 EGEDLO CN(CC(F)F)C1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000775636140 1304000567 /nfs/dbraw/zinc/00/05/67/1304000567.db2.gz JCHCVNQIYDZBBZ-UHFFFAOYSA-N 1 2 327.806 3.373 20 30 EGEDLO C[N@H+](CC(F)F)C1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000775636140 1304000575 /nfs/dbraw/zinc/00/05/75/1304000575.db2.gz JCHCVNQIYDZBBZ-UHFFFAOYSA-N 1 2 327.806 3.373 20 30 EGEDLO C[N@@H+](CC(F)F)C1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000775636140 1304000581 /nfs/dbraw/zinc/00/05/81/1304000581.db2.gz JCHCVNQIYDZBBZ-UHFFFAOYSA-N 1 2 327.806 3.373 20 30 EGEDLO C[C@@H](C(=O)OCc1ccc(CC#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000776114579 1304098068 /nfs/dbraw/zinc/09/80/68/1304098068.db2.gz QFCKVXLFRZBVTE-INIZCTEOSA-N 1 2 334.419 3.243 20 30 EGEDLO C[C@@H](C(=O)OCc1ccc(CC#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000776114579 1304098075 /nfs/dbraw/zinc/09/80/75/1304098075.db2.gz QFCKVXLFRZBVTE-INIZCTEOSA-N 1 2 334.419 3.243 20 30 EGEDLO N#CCc1ccccc1CC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000776833695 1304208414 /nfs/dbraw/zinc/20/84/14/1304208414.db2.gz NTKDMBQHJSNXAF-UHFFFAOYSA-N 1 2 334.354 3.259 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000779158266 1304537249 /nfs/dbraw/zinc/53/72/49/1304537249.db2.gz OLXHJQPLZPSBDE-INIZCTEOSA-N 1 2 335.831 3.079 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000779158266 1304537252 /nfs/dbraw/zinc/53/72/52/1304537252.db2.gz OLXHJQPLZPSBDE-INIZCTEOSA-N 1 2 335.831 3.079 20 30 EGEDLO CCc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)s1 ZINC000779340347 1304558700 /nfs/dbraw/zinc/55/87/00/1304558700.db2.gz IRLSIBPYMICSLQ-IUODEOHRSA-N 1 2 335.473 3.159 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2ccsc2C)C1 ZINC000968391388 1335916922 /nfs/dbraw/zinc/91/69/22/1335916922.db2.gz RMHAUJQXJQFNME-ABAIWWIYSA-N 1 2 326.893 3.178 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2ccsc2C)C1 ZINC000968391388 1335916925 /nfs/dbraw/zinc/91/69/25/1335916925.db2.gz RMHAUJQXJQFNME-ABAIWWIYSA-N 1 2 326.893 3.178 20 30 EGEDLO C=CCCCCCOC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000783501339 1305100153 /nfs/dbraw/zinc/10/01/53/1305100153.db2.gz QGUPTNJZVCRZCP-LJQANCHMSA-N 1 2 331.456 3.474 20 30 EGEDLO C[C@@H]1Cc2cc(C[N@@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)ccc2O1 ZINC000892245005 1305292297 /nfs/dbraw/zinc/29/22/97/1305292297.db2.gz OKIPLZVIZCUQEG-QVKFZJNVSA-N 1 2 334.419 3.455 20 30 EGEDLO C[C@@H]1Cc2cc(C[N@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)ccc2O1 ZINC000892245005 1305292300 /nfs/dbraw/zinc/29/23/00/1305292300.db2.gz OKIPLZVIZCUQEG-QVKFZJNVSA-N 1 2 334.419 3.455 20 30 EGEDLO C#CCCOc1ccc(C[NH2+]Cc2nc(-c3ccccc3)no2)cc1 ZINC000788432682 1305940303 /nfs/dbraw/zinc/94/03/03/1305940303.db2.gz PRKLARWQFJHACX-UHFFFAOYSA-N 1 2 333.391 3.429 20 30 EGEDLO C=C[C@@](C)(CCOC)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791454416 1309002148 /nfs/dbraw/zinc/00/21/48/1309002148.db2.gz LLDCYDDYYWCAEI-IBGZPJMESA-N 1 2 328.412 3.453 20 30 EGEDLO CCC1(CC)C[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)CCS1 ZINC000793511852 1309388865 /nfs/dbraw/zinc/38/88/65/1309388865.db2.gz NKONPSMEJXKQFJ-UHFFFAOYSA-N 1 2 345.512 3.164 20 30 EGEDLO CCC1(CC)C[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)CCS1 ZINC000793511852 1309388871 /nfs/dbraw/zinc/38/88/71/1309388871.db2.gz NKONPSMEJXKQFJ-UHFFFAOYSA-N 1 2 345.512 3.164 20 30 EGEDLO N#Cc1cccn(C[NH+]2CCC(c3cccc(Cl)c3)CC2)c1=O ZINC000794682598 1309573029 /nfs/dbraw/zinc/57/30/29/1309573029.db2.gz IDRWWJBWYYZDMB-UHFFFAOYSA-N 1 2 327.815 3.210 20 30 EGEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2ccc(OCC#N)cc2)s1 ZINC000794695809 1309576417 /nfs/dbraw/zinc/57/64/17/1309576417.db2.gz PJWAEIPPNGSFHE-FPLPWBNLSA-N 1 2 327.409 3.003 20 30 EGEDLO C[NH+](C)Cc1cnc(/C=C2\CCOc3ccc(F)cc3C2=O)s1 ZINC000794701520 1309577890 /nfs/dbraw/zinc/57/78/90/1309577890.db2.gz VZOBZEHWIVIHEE-YRNVUSSQSA-N 1 2 332.400 3.393 20 30 EGEDLO Cn1cc(N[NH+]=Cc2ccc3c(c2)CCN3Cc2ccccc2)cn1 ZINC000794938716 1309625753 /nfs/dbraw/zinc/62/57/53/1309625753.db2.gz CCEFKKQCKZEHRC-UHFFFAOYSA-N 1 2 331.423 3.429 20 30 EGEDLO C=C(C)[C@H](Cc1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1)OCC ZINC000896822368 1310034497 /nfs/dbraw/zinc/03/44/97/1310034497.db2.gz DLMJVXZCXIOHEO-KRWDZBQOSA-N 1 2 338.411 3.370 20 30 EGEDLO C#CCCCNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000797466045 1310194529 /nfs/dbraw/zinc/19/45/29/1310194529.db2.gz CLDZNVVRJQUYIE-UHFFFAOYSA-N 1 2 344.846 3.162 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cccc(Br)c1O ZINC000797877841 1310261069 /nfs/dbraw/zinc/26/10/69/1310261069.db2.gz DWLFDENZWLZPNT-DOMZBBRYSA-N 1 2 326.234 3.226 20 30 EGEDLO C=CC[C@H](CC)NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000798426017 1310360987 /nfs/dbraw/zinc/36/09/87/1310360987.db2.gz RRZSPMPWGWLJGC-INIZCTEOSA-N 1 2 344.503 3.375 20 30 EGEDLO CC(C)(C#N)CCO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000799962310 1310644938 /nfs/dbraw/zinc/64/49/38/1310644938.db2.gz VUPHDDQYIVCYLJ-UHFFFAOYSA-N 1 2 338.411 3.237 20 30 EGEDLO COC(=O)c1c(F)cccc1N=NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000800817297 1310810121 /nfs/dbraw/zinc/81/01/21/1310810121.db2.gz OTYXHOPURGBBLQ-UHFFFAOYSA-N 1 2 338.342 3.244 20 30 EGEDLO C[C@H](c1cc(F)ccc1F)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000801553729 1310964296 /nfs/dbraw/zinc/96/42/96/1310964296.db2.gz DKSIMCWVDFWWEC-CYBMUJFWSA-N 1 2 328.366 3.115 20 30 EGEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000901440311 1317426370 /nfs/dbraw/zinc/42/63/70/1317426370.db2.gz ZELGWWSERROUTP-XQRVVYSFSA-N 1 2 343.402 3.336 20 30 EGEDLO Cn1c[nH+]cc1/C=C\C(=O)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000901485831 1317434487 /nfs/dbraw/zinc/43/44/87/1317434487.db2.gz QFHHUOVZHVIWEY-WLMCBFPDSA-N 1 2 344.386 3.403 20 30 EGEDLO C=CCn1cc(C[NH2+][C@H]2CCCc3c(OC)ccc(Cl)c32)nn1 ZINC000903193380 1317671072 /nfs/dbraw/zinc/67/10/72/1317671072.db2.gz VXIYBYOJEMCGGZ-HNNXBMFYSA-N 1 2 332.835 3.293 20 30 EGEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccn3cc[nH+]c3c2)c1 ZINC000810231449 1317981406 /nfs/dbraw/zinc/98/14/06/1317981406.db2.gz BSTPPPKKAXIHKX-MRXNPFEDSA-N 1 2 349.394 3.337 20 30 EGEDLO Cc1cc(C)c(C(=O)N2CCCN(c3ccccc3C#N)CC2)c(C)[nH+]1 ZINC000906171647 1318050100 /nfs/dbraw/zinc/05/01/00/1318050100.db2.gz YLCKCDNMTRNEKM-UHFFFAOYSA-N 1 2 348.450 3.231 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907809705 1318262427 /nfs/dbraw/zinc/26/24/27/1318262427.db2.gz ALALPUCCQAFWPZ-RKVPGOIHSA-N 1 2 343.471 3.022 20 30 EGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907809705 1318262437 /nfs/dbraw/zinc/26/24/37/1318262437.db2.gz ALALPUCCQAFWPZ-RKVPGOIHSA-N 1 2 343.471 3.022 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)C1CC=CC1 ZINC000960517755 1318629656 /nfs/dbraw/zinc/62/96/56/1318629656.db2.gz VZEPHZVQQMBXFD-IBGZPJMESA-N 1 2 341.430 3.086 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)C1CC=CC1 ZINC000960517755 1318629665 /nfs/dbraw/zinc/62/96/65/1318629665.db2.gz VZEPHZVQQMBXFD-IBGZPJMESA-N 1 2 341.430 3.086 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)CC1CCC1 ZINC000960524724 1318640232 /nfs/dbraw/zinc/64/02/32/1318640232.db2.gz GYTRFTUFSAWLMT-IBGZPJMESA-N 1 2 343.446 3.310 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)CC1CCC1 ZINC000960524724 1318640240 /nfs/dbraw/zinc/64/02/40/1318640240.db2.gz GYTRFTUFSAWLMT-IBGZPJMESA-N 1 2 343.446 3.310 20 30 EGEDLO CCc1ccc(C#CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000814375224 1318732651 /nfs/dbraw/zinc/73/26/51/1318732651.db2.gz CGAQDVXWRDZXCR-UHFFFAOYSA-N 1 2 348.446 3.071 20 30 EGEDLO C[C@@H]1CN(c2ccccc2C=[NH+]Nc2nc3ccccc3n2C)CCO1 ZINC000915967117 1319574143 /nfs/dbraw/zinc/57/41/43/1319574143.db2.gz BTZNFXYEZVHAAY-OAHLLOKOSA-N 1 2 349.438 3.244 20 30 EGEDLO C#C[C@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000820572265 1319914553 /nfs/dbraw/zinc/91/45/53/1319914553.db2.gz DOWOIPKXLZAQKS-ZBFHGGJFSA-N 1 2 342.830 3.327 20 30 EGEDLO C#C[C@H](CCC)NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000820647859 1319927760 /nfs/dbraw/zinc/92/77/60/1319927760.db2.gz WNQYVYWHSPXCEQ-BHIYHBOVSA-N 1 2 336.439 3.213 20 30 EGEDLO CON=Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000918663497 1319985315 /nfs/dbraw/zinc/98/53/15/1319985315.db2.gz QSABBTIWESLTQN-UHFFFAOYSA-N 1 2 338.342 3.244 20 30 EGEDLO C=CCOc1ccc(CC(=O)Nc2ccc(C)[nH+]c2N(C)C)cc1 ZINC000827557256 1320460240 /nfs/dbraw/zinc/46/02/40/1320460240.db2.gz KYWQZIQOVYCKJE-UHFFFAOYSA-N 1 2 325.412 3.202 20 30 EGEDLO C[C@H](c1cccs1)[N@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000836494028 1320494579 /nfs/dbraw/zinc/49/45/79/1320494579.db2.gz SOHSTHMODIUWJP-CYBMUJFWSA-N 1 2 338.436 3.175 20 30 EGEDLO C[C@H](c1cccs1)[N@@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000836494028 1320494583 /nfs/dbraw/zinc/49/45/83/1320494583.db2.gz SOHSTHMODIUWJP-CYBMUJFWSA-N 1 2 338.436 3.175 20 30 EGEDLO C[C@H](CCC#N)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000839459812 1320924447 /nfs/dbraw/zinc/92/44/47/1320924447.db2.gz UOHWAACKYHARNS-CQSZACIVSA-N 1 2 341.377 3.395 20 30 EGEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000839600704 1320943410 /nfs/dbraw/zinc/94/34/10/1320943410.db2.gz DGVCKLDMYKXEPE-QGZVFWFLSA-N 1 2 336.435 3.466 20 30 EGEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000839600704 1320943412 /nfs/dbraw/zinc/94/34/12/1320943412.db2.gz DGVCKLDMYKXEPE-QGZVFWFLSA-N 1 2 336.435 3.466 20 30 EGEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000839600766 1320943465 /nfs/dbraw/zinc/94/34/65/1320943465.db2.gz FHYNFZFGORJLLB-MRXNPFEDSA-N 1 2 338.476 3.157 20 30 EGEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000839600766 1320943468 /nfs/dbraw/zinc/94/34/68/1320943468.db2.gz FHYNFZFGORJLLB-MRXNPFEDSA-N 1 2 338.476 3.157 20 30 EGEDLO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000842166252 1321356667 /nfs/dbraw/zinc/35/66/67/1321356667.db2.gz JVWBDPYOHFJDFU-RQJABVFESA-N 1 2 327.453 3.449 20 30 EGEDLO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000842166252 1321356670 /nfs/dbraw/zinc/35/66/70/1321356670.db2.gz JVWBDPYOHFJDFU-RQJABVFESA-N 1 2 327.453 3.449 20 30 EGEDLO C#C[C@@H](CC)Oc1ccc(COC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000845533714 1321717260 /nfs/dbraw/zinc/71/72/60/1321717260.db2.gz ZSOHVEHKPSNJQD-RDJZCZTQSA-N 1 2 326.396 3.368 20 30 EGEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000846995904 1321831710 /nfs/dbraw/zinc/83/17/10/1321831710.db2.gz UYDLBKLLPBYBOF-JKSUJKDBSA-N 1 2 328.460 3.286 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccco2)ccc1F ZINC001024303229 1323286230 /nfs/dbraw/zinc/28/62/30/1323286230.db2.gz JJBDMMDNFKAJTR-MRXNPFEDSA-N 1 2 341.386 3.075 20 30 EGEDLO N#Cc1cc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccco2)ccc1F ZINC001024303229 1323286241 /nfs/dbraw/zinc/28/62/41/1323286241.db2.gz JJBDMMDNFKAJTR-MRXNPFEDSA-N 1 2 341.386 3.075 20 30 EGEDLO Cc1cncc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)c1 ZINC001024377587 1323350365 /nfs/dbraw/zinc/35/03/65/1323350365.db2.gz YIXLJHWPOFZTDV-FQEVSTJZSA-N 1 2 348.450 3.046 20 30 EGEDLO Cc1cncc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)c1 ZINC001024377587 1323350371 /nfs/dbraw/zinc/35/03/71/1323350371.db2.gz YIXLJHWPOFZTDV-FQEVSTJZSA-N 1 2 348.450 3.046 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1OCCc2ccccc21 ZINC001024593066 1323524573 /nfs/dbraw/zinc/52/45/73/1323524573.db2.gz ZSWMQUKHQHKACI-SJLPKXTDSA-N 1 2 348.874 3.024 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1OCCc2ccccc21 ZINC001024593066 1323524576 /nfs/dbraw/zinc/52/45/76/1323524576.db2.gz ZSWMQUKHQHKACI-SJLPKXTDSA-N 1 2 348.874 3.024 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1OCC ZINC001024785776 1323688745 /nfs/dbraw/zinc/68/87/45/1323688745.db2.gz PHMGMJKDHPKSEB-HNNXBMFYSA-N 1 2 336.863 3.422 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1OCC ZINC001024785776 1323688748 /nfs/dbraw/zinc/68/87/48/1323688748.db2.gz PHMGMJKDHPKSEB-HNNXBMFYSA-N 1 2 336.863 3.422 20 30 EGEDLO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1sc(Cl)nc1Cl ZINC001024804489 1323707542 /nfs/dbraw/zinc/70/75/42/1323707542.db2.gz SVPQQGIRMOEZPG-JTQLQIEISA-N 1 2 346.283 3.058 20 30 EGEDLO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1sc(Cl)nc1Cl ZINC001024804489 1323707535 /nfs/dbraw/zinc/70/75/35/1323707535.db2.gz SVPQQGIRMOEZPG-JTQLQIEISA-N 1 2 346.283 3.058 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nc(C(C)(C)C)no1 ZINC001025041288 1323844240 /nfs/dbraw/zinc/84/42/40/1323844240.db2.gz YQINPJDRHDWCNH-CQSZACIVSA-N 1 2 348.491 3.050 20 30 EGEDLO C=C1CCC(C(=O)N2CCCC[C@@H]2C[NH2+][C@H](C)c2noc(C)n2)CC1 ZINC001025068425 1323869117 /nfs/dbraw/zinc/86/91/17/1323869117.db2.gz LCAIVQWXSFZEGF-RHSMWYFYSA-N 1 2 346.475 3.156 20 30 EGEDLO C=CC[N@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=S)[C@H](C)COC ZINC000853532936 1325115661 /nfs/dbraw/zinc/11/56/61/1325115661.db2.gz PZCZQOPPODNLLS-LLVKDONJSA-N 1 2 337.401 3.352 20 30 EGEDLO C=CC[N@@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=S)[C@H](C)COC ZINC000853532936 1325115675 /nfs/dbraw/zinc/11/56/75/1325115675.db2.gz PZCZQOPPODNLLS-LLVKDONJSA-N 1 2 337.401 3.352 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](C)NC(=O)OC(C)(C)C ZINC000853558677 1325122960 /nfs/dbraw/zinc/12/29/60/1325122960.db2.gz JAHJKHMFVUJFPW-CQSZACIVSA-N 1 2 333.432 3.199 20 30 EGEDLO Cn1c(CC#N)nn(C[N@@H+]2CCC[C@H](C3CCCCC3)C2)c1=S ZINC000853610651 1325133433 /nfs/dbraw/zinc/13/34/33/1325133433.db2.gz SJLNLYGJIAIKCK-HNNXBMFYSA-N 1 2 333.505 3.267 20 30 EGEDLO Cn1c(CC#N)nn(C[N@H+]2CCC[C@H](C3CCCCC3)C2)c1=S ZINC000853610651 1325133439 /nfs/dbraw/zinc/13/34/39/1325133439.db2.gz SJLNLYGJIAIKCK-HNNXBMFYSA-N 1 2 333.505 3.267 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)C2(C3CC3)CC2)C1 ZINC001027455475 1327694302 /nfs/dbraw/zinc/69/43/02/1327694302.db2.gz CUMNMRNZEMXVMV-AWEZNQCLSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)C2(C3CC3)CC2)C1 ZINC001027455475 1327694308 /nfs/dbraw/zinc/69/43/08/1327694308.db2.gz CUMNMRNZEMXVMV-AWEZNQCLSA-N 1 2 341.293 3.008 20 30 EGEDLO C[C@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cccs1 ZINC000964808038 1327702573 /nfs/dbraw/zinc/70/25/73/1327702573.db2.gz RCDSNHRTWQSBLA-WMLDXEAASA-N 1 2 339.464 3.260 20 30 EGEDLO C[C@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cccs1 ZINC000964808038 1327702581 /nfs/dbraw/zinc/70/25/81/1327702581.db2.gz RCDSNHRTWQSBLA-WMLDXEAASA-N 1 2 339.464 3.260 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]([N@H+](C)CC(=C)Br)C1 ZINC001027560020 1327875093 /nfs/dbraw/zinc/87/50/93/1327875093.db2.gz NKNINAQDSBMVGF-HOCLYGCPSA-N 1 2 343.309 3.420 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]([N@@H+](C)CC(=C)Br)C1 ZINC001027560020 1327875100 /nfs/dbraw/zinc/87/51/00/1327875100.db2.gz NKNINAQDSBMVGF-HOCLYGCPSA-N 1 2 343.309 3.420 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1CNC(=O)C1CCCCC1 ZINC001027728990 1328152320 /nfs/dbraw/zinc/15/23/20/1328152320.db2.gz MOPLSUUTZVVBLI-LJQANCHMSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1CNC(=O)C1CCCCC1 ZINC001027728990 1328152324 /nfs/dbraw/zinc/15/23/24/1328152324.db2.gz MOPLSUUTZVVBLI-LJQANCHMSA-N 1 2 343.446 3.358 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)c(F)cc2F)C1 ZINC000966903038 1328464082 /nfs/dbraw/zinc/46/40/82/1328464082.db2.gz ACQARXZBGQUIPW-HWPZZCPQSA-N 1 2 342.817 3.466 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)c(F)cc2F)C1 ZINC000966903038 1328464090 /nfs/dbraw/zinc/46/40/90/1328464090.db2.gz ACQARXZBGQUIPW-HWPZZCPQSA-N 1 2 342.817 3.466 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H](CCNc3cc[nH+]c(C)n3)C2)C1 ZINC001063296230 1351801620 /nfs/dbraw/zinc/80/16/20/1351801620.db2.gz NXFHJLHAXKYEBL-INIZCTEOSA-N 1 2 328.460 3.182 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)CC2CC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC000946984867 1332955038 /nfs/dbraw/zinc/95/50/38/1332955038.db2.gz DMZBISYOJRSKAN-QAPCUYQASA-N 1 2 344.886 3.461 20 30 EGEDLO C[C@@H]1C[C@@H](NC(=O)CC2CC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC000946984867 1332955039 /nfs/dbraw/zinc/95/50/39/1332955039.db2.gz DMZBISYOJRSKAN-QAPCUYQASA-N 1 2 344.886 3.461 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C(C)=C2CCC2)C[C@H]1C ZINC000947301121 1333082289 /nfs/dbraw/zinc/08/22/89/1333082289.db2.gz OFAZQZIBNUWEBE-IUODEOHRSA-N 1 2 341.293 3.365 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C(C)=C2CCC2)C[C@H]1C ZINC000947301121 1333082291 /nfs/dbraw/zinc/08/22/91/1333082291.db2.gz OFAZQZIBNUWEBE-IUODEOHRSA-N 1 2 341.293 3.365 20 30 EGEDLO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2n[nH]c3ccc(C)cc32)C[C@H]1C ZINC000947493227 1333145844 /nfs/dbraw/zinc/14/58/44/1333145844.db2.gz QUYCCBSTINIQGN-HUUCEWRRSA-N 1 2 326.444 3.030 20 30 EGEDLO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2n[nH]c3ccc(C)cc32)C[C@H]1C ZINC000947493227 1333145847 /nfs/dbraw/zinc/14/58/47/1333145847.db2.gz QUYCCBSTINIQGN-HUUCEWRRSA-N 1 2 326.444 3.030 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3ncc(C4CC4)o3)[C@@H](C)C2)C1 ZINC000947702898 1333234098 /nfs/dbraw/zinc/23/40/98/1333234098.db2.gz ULXFFQMFXULCHM-GOEBONIOSA-N 1 2 343.471 3.377 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3ncc(C4CC4)o3)[C@@H](C)C2)C1 ZINC000947702898 1333234102 /nfs/dbraw/zinc/23/41/02/1333234102.db2.gz ULXFFQMFXULCHM-GOEBONIOSA-N 1 2 343.471 3.377 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccsc1C ZINC000948913382 1333730885 /nfs/dbraw/zinc/73/08/85/1333730885.db2.gz SBLUEZHCOIJJPU-LJQANCHMSA-N 1 2 338.476 3.409 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccsc1C ZINC000948913382 1333730887 /nfs/dbraw/zinc/73/08/87/1333730887.db2.gz SBLUEZHCOIJJPU-LJQANCHMSA-N 1 2 338.476 3.409 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1sc(C)cc1C ZINC000948923268 1333735829 /nfs/dbraw/zinc/73/58/29/1333735829.db2.gz DXNQDZVPDXRMJP-GOSISDBHSA-N 1 2 338.476 3.327 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1sc(C)cc1C ZINC000948923268 1333735831 /nfs/dbraw/zinc/73/58/31/1333735831.db2.gz DXNQDZVPDXRMJP-GOSISDBHSA-N 1 2 338.476 3.327 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(C)c(F)c1 ZINC000948936032 1333740795 /nfs/dbraw/zinc/74/07/95/1333740795.db2.gz LLDNDMYADGNCGU-HXUWFJFHSA-N 1 2 336.410 3.097 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(C)c(F)c1 ZINC000948936032 1333740798 /nfs/dbraw/zinc/74/07/98/1333740798.db2.gz LLDNDMYADGNCGU-HXUWFJFHSA-N 1 2 336.410 3.097 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000948978021 1333754268 /nfs/dbraw/zinc/75/42/68/1333754268.db2.gz GTISMPFCWTZWRT-BDTNDASRSA-N 1 2 344.458 3.139 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000948978021 1333754270 /nfs/dbraw/zinc/75/42/70/1333754270.db2.gz GTISMPFCWTZWRT-BDTNDASRSA-N 1 2 344.458 3.139 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cnoc1C(C)C ZINC000948977890 1333754714 /nfs/dbraw/zinc/75/47/14/1333754714.db2.gz DXBHBEPTOPXERV-SFHVURJKSA-N 1 2 339.439 3.313 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cnoc1C(C)C ZINC000948977890 1333754716 /nfs/dbraw/zinc/75/47/16/1333754716.db2.gz DXBHBEPTOPXERV-SFHVURJKSA-N 1 2 339.439 3.313 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccccc1OC ZINC000948982332 1333757431 /nfs/dbraw/zinc/75/74/31/1333757431.db2.gz KFMRKBVFBGHABE-FQEVSTJZSA-N 1 2 348.446 3.048 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccccc1OC ZINC000948982332 1333757434 /nfs/dbraw/zinc/75/74/34/1333757434.db2.gz KFMRKBVFBGHABE-FQEVSTJZSA-N 1 2 348.446 3.048 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC000948984992 1333759626 /nfs/dbraw/zinc/75/96/26/1333759626.db2.gz BBFFHOSZEYZANZ-AFMYVXGZSA-N 1 2 338.495 3.408 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC000948984992 1333759629 /nfs/dbraw/zinc/75/96/29/1333759629.db2.gz BBFFHOSZEYZANZ-AFMYVXGZSA-N 1 2 338.495 3.408 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](CCOc2cc(C)cc(C)c2)CC1 ZINC000949635617 1333887128 /nfs/dbraw/zinc/88/71/28/1333887128.db2.gz FSNNFYWNKNRRMW-UHFFFAOYSA-N 1 2 344.499 3.429 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[NH+](CCOc2cc(C)cc(C)c2)CC1 ZINC000949659868 1333891609 /nfs/dbraw/zinc/89/16/09/1333891609.db2.gz RFORGQKBKGPTKZ-UHFFFAOYSA-N 1 2 330.472 3.039 20 30 EGEDLO CC1(C)CC(CC(=O)N2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000949817266 1333930930 /nfs/dbraw/zinc/93/09/30/1333930930.db2.gz XYNHCKXQMXSQOP-UHFFFAOYSA-N 1 2 325.456 3.029 20 30 EGEDLO CCN(C(=O)c1ccc(C#N)[nH]1)C1C[NH+](Cc2ccc(C3CC3)cc2)C1 ZINC000949912797 1333961582 /nfs/dbraw/zinc/96/15/82/1333961582.db2.gz IRLXDVCMCCLJJZ-UHFFFAOYSA-N 1 2 348.450 3.110 20 30 EGEDLO C=C1CCC(C(=O)N2CC[NH+](CCO[C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000950047007 1334000655 /nfs/dbraw/zinc/00/06/55/1334000655.db2.gz OEYPQHBFLOHMPR-ICSRJNTNSA-N 1 2 348.531 3.472 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(F)c(C(F)F)c2)C1 ZINC000950341044 1334045652 /nfs/dbraw/zinc/04/56/52/1334045652.db2.gz ZJNDKODCRUQQMM-UHFFFAOYSA-N 1 2 326.362 3.486 20 30 EGEDLO C=CCn1cccc1C(=O)N(CC)C1C[NH+](Cc2csc(C)c2)C1 ZINC000950512418 1334083546 /nfs/dbraw/zinc/08/35/46/1334083546.db2.gz HDRURWMTPSTMDX-UHFFFAOYSA-N 1 2 343.496 3.391 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(C(C)C)nc2CC)C1 ZINC000951766946 1334312676 /nfs/dbraw/zinc/31/26/76/1334312676.db2.gz OHIWWDAYWKQLGG-UHFFFAOYSA-N 1 2 329.488 3.490 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cn(C)c3ccccc23)C1 ZINC000967272521 1335682026 /nfs/dbraw/zinc/68/20/26/1335682026.db2.gz BVVPXSYDBPNMON-CXAGYDPISA-N 1 2 345.874 3.371 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cn(C)c3ccccc23)C1 ZINC000967272521 1335682027 /nfs/dbraw/zinc/68/20/27/1335682027.db2.gz BVVPXSYDBPNMON-CXAGYDPISA-N 1 2 345.874 3.371 20 30 EGEDLO Cc1coc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@H]2C)c1 ZINC000967892805 1335825038 /nfs/dbraw/zinc/82/50/38/1335825038.db2.gz DFFGKAKFRUCULY-QAPCUYQASA-N 1 2 337.423 3.100 20 30 EGEDLO Cc1coc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3C#N)CC[C@H]2C)c1 ZINC000967892805 1335825042 /nfs/dbraw/zinc/82/50/42/1335825042.db2.gz DFFGKAKFRUCULY-QAPCUYQASA-N 1 2 337.423 3.100 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2cccc(Cl)c2)C1 ZINC000968159301 1335863793 /nfs/dbraw/zinc/86/37/93/1335863793.db2.gz ZQTJFROONUGJRQ-MLGOLLRUSA-N 1 2 341.282 3.462 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2cccc(Cl)c2)C1 ZINC000968159301 1335863794 /nfs/dbraw/zinc/86/37/94/1335863794.db2.gz ZQTJFROONUGJRQ-MLGOLLRUSA-N 1 2 341.282 3.462 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3ccnc(Cl)c3)CC[C@@H]2C)C1 ZINC000968211913 1335872847 /nfs/dbraw/zinc/87/28/47/1335872847.db2.gz MCXUPQJVPQOVNT-GOEBONIOSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3ccnc(Cl)c3)CC[C@@H]2C)C1 ZINC000968211913 1335872851 /nfs/dbraw/zinc/87/28/51/1335872851.db2.gz MCXUPQJVPQOVNT-GOEBONIOSA-N 1 2 347.890 3.418 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C)c(F)c2F)C1 ZINC000968346389 1335896031 /nfs/dbraw/zinc/89/60/31/1335896031.db2.gz URCDYGVWEOVSRS-HZMBPMFUSA-N 1 2 342.817 3.466 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C)c(F)c2F)C1 ZINC000968346389 1335896032 /nfs/dbraw/zinc/89/60/32/1335896032.db2.gz URCDYGVWEOVSRS-HZMBPMFUSA-N 1 2 342.817 3.466 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(OCC)c2)C1 ZINC000968363959 1335904033 /nfs/dbraw/zinc/90/40/33/1335904033.db2.gz AXICAMLBUVORSX-GUYCJALGSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(OCC)c2)C1 ZINC000968363959 1335904037 /nfs/dbraw/zinc/90/40/37/1335904037.db2.gz AXICAMLBUVORSX-GUYCJALGSA-N 1 2 336.863 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc3ccccn3c2)C1 ZINC000968381894 1335911479 /nfs/dbraw/zinc/91/14/79/1335911479.db2.gz GYDZCORWHZDVKY-GUYCJALGSA-N 1 2 331.847 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc3ccccn3c2)C1 ZINC000968381894 1335911481 /nfs/dbraw/zinc/91/14/81/1335911481.db2.gz GYDZCORWHZDVKY-GUYCJALGSA-N 1 2 331.847 3.132 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2ccccc2Cl)C1 ZINC000968624763 1335988714 /nfs/dbraw/zinc/98/87/14/1335988714.db2.gz ZBHGWAHNGYKQBI-MLGOLLRUSA-N 1 2 341.282 3.462 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2ccccc2Cl)C1 ZINC000968624763 1335988718 /nfs/dbraw/zinc/98/87/18/1335988718.db2.gz ZBHGWAHNGYKQBI-MLGOLLRUSA-N 1 2 341.282 3.462 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc3oc(C)nc32)C1 ZINC000968687476 1336011752 /nfs/dbraw/zinc/01/17/52/1336011752.db2.gz BNEGSCODLLCMMI-ABAIWWIYSA-N 1 2 347.846 3.329 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc3oc(C)nc32)C1 ZINC000968687476 1336011756 /nfs/dbraw/zinc/01/17/56/1336011756.db2.gz BNEGSCODLLCMMI-ABAIWWIYSA-N 1 2 347.846 3.329 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1nc(C)c(C)s1 ZINC000969149972 1336163265 /nfs/dbraw/zinc/16/32/65/1336163265.db2.gz AHGDVWRLBHDXNA-CQSZACIVSA-N 1 2 341.908 3.487 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1nc(C)c(C)s1 ZINC000969149972 1336163269 /nfs/dbraw/zinc/16/32/69/1336163269.db2.gz AHGDVWRLBHDXNA-CQSZACIVSA-N 1 2 341.908 3.487 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC000970078848 1336276889 /nfs/dbraw/zinc/27/68/89/1336276889.db2.gz HSRMKTHBLBMINZ-OAHLLOKOSA-N 1 2 343.858 3.280 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc3cc(F)ccc3o2)C1 ZINC000970508536 1336314205 /nfs/dbraw/zinc/31/42/05/1336314205.db2.gz HXYPYJUNMQWTCZ-NSHDSACASA-N 1 2 336.794 3.375 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(F)c3ncccc3c2)C1 ZINC000970593226 1336325267 /nfs/dbraw/zinc/32/52/67/1336325267.db2.gz IDSVRNIVXKVZMU-GFCCVEGCSA-N 1 2 347.821 3.177 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(Cl)ccc2C)C1 ZINC000970610946 1336327673 /nfs/dbraw/zinc/32/76/73/1336327673.db2.gz WDSLNQZNCYQDDD-GFCCVEGCSA-N 1 2 327.255 3.451 20 30 EGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]2C(C)C)CC1 ZINC001006222035 1336469513 /nfs/dbraw/zinc/46/95/13/1336469513.db2.gz ZSRJOIZJOAJZHL-HUUCEWRRSA-N 1 2 343.309 3.110 20 30 EGEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001006584150 1336531058 /nfs/dbraw/zinc/53/10/58/1336531058.db2.gz JDPZGFVGGTXVND-HXUWFJFHSA-N 1 2 336.410 3.072 20 30 EGEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001006584150 1336531060 /nfs/dbraw/zinc/53/10/60/1336531060.db2.gz JDPZGFVGGTXVND-HXUWFJFHSA-N 1 2 336.410 3.072 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)s1 ZINC001006601827 1336535740 /nfs/dbraw/zinc/53/57/40/1336535740.db2.gz IWIPSBDTKSNOMW-CYBMUJFWSA-N 1 2 345.493 3.384 20 30 EGEDLO Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)s1 ZINC001006601827 1336535743 /nfs/dbraw/zinc/53/57/43/1336535743.db2.gz IWIPSBDTKSNOMW-CYBMUJFWSA-N 1 2 345.493 3.384 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)C1CC1 ZINC001007030635 1336628917 /nfs/dbraw/zinc/62/89/17/1336628917.db2.gz SCGWDPXJAFSOPK-BEFAXECRSA-N 1 2 344.886 3.318 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)C1CC1 ZINC001007030635 1336628919 /nfs/dbraw/zinc/62/89/19/1336628919.db2.gz SCGWDPXJAFSOPK-BEFAXECRSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC001007458492 1336650959 /nfs/dbraw/zinc/65/09/59/1336650959.db2.gz XWXQLOFLQLDKCW-INIZCTEOSA-N 1 2 336.838 3.190 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC001007458492 1336650961 /nfs/dbraw/zinc/65/09/61/1336650961.db2.gz XWXQLOFLQLDKCW-INIZCTEOSA-N 1 2 336.838 3.190 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1)C1CCC1 ZINC001007594014 1336673292 /nfs/dbraw/zinc/67/32/92/1336673292.db2.gz GPVHJUTVKYGVGK-RDTXWAMCSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1)C1CCC1 ZINC001007594014 1336673293 /nfs/dbraw/zinc/67/32/93/1336673293.db2.gz GPVHJUTVKYGVGK-RDTXWAMCSA-N 1 2 343.446 3.214 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](NC(=O)C3(F)CCCC3)C2)c1 ZINC001007719595 1336690570 /nfs/dbraw/zinc/69/05/70/1336690570.db2.gz OUJNSZCFIZELDB-INIZCTEOSA-N 1 2 347.409 3.060 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](NC(=O)C3(F)CCCC3)C2)c1 ZINC001007719595 1336690572 /nfs/dbraw/zinc/69/05/72/1336690572.db2.gz OUJNSZCFIZELDB-INIZCTEOSA-N 1 2 347.409 3.060 20 30 EGEDLO CC(C)(C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1)C1CC1 ZINC001008223926 1336796810 /nfs/dbraw/zinc/79/68/10/1336796810.db2.gz IVZIGOXICJKIDG-QGZVFWFLSA-N 1 2 343.446 3.214 20 30 EGEDLO CC(C)(C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1)C1CC1 ZINC001008223926 1336796814 /nfs/dbraw/zinc/79/68/14/1336796814.db2.gz IVZIGOXICJKIDG-QGZVFWFLSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001008808938 1336929055 /nfs/dbraw/zinc/92/90/55/1336929055.db2.gz WPIVVVFQMADORQ-RYQLBKOJSA-N 1 2 348.874 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001008808938 1336929057 /nfs/dbraw/zinc/92/90/57/1336929057.db2.gz WPIVVVFQMADORQ-RYQLBKOJSA-N 1 2 348.874 3.132 20 30 EGEDLO C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1)C1CCCC1 ZINC001009151520 1336977231 /nfs/dbraw/zinc/97/72/31/1336977231.db2.gz GQEWEKRUFIUPHW-JXFKEZNVSA-N 1 2 339.483 3.465 20 30 EGEDLO C[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1)C1CCCC1 ZINC001009151520 1336977235 /nfs/dbraw/zinc/97/72/35/1336977235.db2.gz GQEWEKRUFIUPHW-JXFKEZNVSA-N 1 2 339.483 3.465 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001009375437 1337012199 /nfs/dbraw/zinc/01/21/99/1337012199.db2.gz FJYVGWRVVXMGBP-ZBFHGGJFSA-N 1 2 339.266 3.313 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001009375437 1337012200 /nfs/dbraw/zinc/01/22/00/1337012200.db2.gz FJYVGWRVVXMGBP-ZBFHGGJFSA-N 1 2 339.266 3.313 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC(CCN(C)c2cc[nH+]c(C)n2)CC1 ZINC001063971532 1352117336 /nfs/dbraw/zinc/11/73/36/1352117336.db2.gz FBXDZIKALDVQDC-UHFFFAOYSA-N 1 2 330.476 3.062 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC001014792424 1337911157 /nfs/dbraw/zinc/91/11/57/1337911157.db2.gz ILZGRZZBPFZTPT-JHJVBQTASA-N 1 2 338.801 3.298 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC001014792424 1337911161 /nfs/dbraw/zinc/91/11/61/1337911161.db2.gz ILZGRZZBPFZTPT-JHJVBQTASA-N 1 2 338.801 3.298 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn(CC)c3ccccc23)C1 ZINC001015176007 1338041731 /nfs/dbraw/zinc/04/17/31/1338041731.db2.gz KERMUAKTHDHJOF-AWEZNQCLSA-N 1 2 331.847 3.218 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(CC)c3ccccc23)C1 ZINC001015176007 1338041736 /nfs/dbraw/zinc/04/17/36/1338041736.db2.gz KERMUAKTHDHJOF-AWEZNQCLSA-N 1 2 331.847 3.218 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(c3cccc(F)c3)CCC2)C1 ZINC001015467401 1338150713 /nfs/dbraw/zinc/15/07/13/1338150713.db2.gz PULQAVFWXHZMED-MRXNPFEDSA-N 1 2 336.838 3.190 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(c3cccc(F)c3)CCC2)C1 ZINC001015467401 1338150717 /nfs/dbraw/zinc/15/07/17/1338150717.db2.gz PULQAVFWXHZMED-MRXNPFEDSA-N 1 2 336.838 3.190 20 30 EGEDLO CC1(C)CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001015556752 1338179401 /nfs/dbraw/zinc/17/94/01/1338179401.db2.gz LQDGPUOPNZONHR-DLBZAZTESA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001015556752 1338179405 /nfs/dbraw/zinc/17/94/05/1338179405.db2.gz LQDGPUOPNZONHR-DLBZAZTESA-N 1 2 343.446 3.214 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(C)c(C)s3)C2)CC1 ZINC001015660256 1338239598 /nfs/dbraw/zinc/23/95/98/1338239598.db2.gz VQHJAVFSAIXRJO-MRXNPFEDSA-N 1 2 333.501 3.197 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3nc(C)c(C)s3)C2)CC1 ZINC001015660256 1338239602 /nfs/dbraw/zinc/23/96/02/1338239602.db2.gz VQHJAVFSAIXRJO-MRXNPFEDSA-N 1 2 333.501 3.197 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC001015672633 1338250113 /nfs/dbraw/zinc/25/01/13/1338250113.db2.gz DSNNNKNXENZKBQ-SFHVURJKSA-N 1 2 342.870 3.238 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC001015672633 1338250114 /nfs/dbraw/zinc/25/01/14/1338250114.db2.gz DSNNNKNXENZKBQ-SFHVURJKSA-N 1 2 342.870 3.238 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)C1 ZINC001015808568 1338320017 /nfs/dbraw/zinc/32/00/17/1338320017.db2.gz ATNWKZFMJFYCJG-FGTMMUONSA-N 1 2 332.875 3.350 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)C1 ZINC001015808568 1338320021 /nfs/dbraw/zinc/32/00/21/1338320021.db2.gz ATNWKZFMJFYCJG-FGTMMUONSA-N 1 2 332.875 3.350 20 30 EGEDLO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1)C1CCCC1 ZINC001015972472 1338384793 /nfs/dbraw/zinc/38/47/93/1338384793.db2.gz KCVKZFVXZFPLNP-KSSFIOAISA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1)C1CCCC1 ZINC001015972472 1338384796 /nfs/dbraw/zinc/38/47/96/1338384796.db2.gz KCVKZFVXZFPLNP-KSSFIOAISA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001016304001 1338540289 /nfs/dbraw/zinc/54/02/89/1338540289.db2.gz BWLCVBNVDQPHAQ-WCQYABFASA-N 1 2 328.790 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001016304001 1338540292 /nfs/dbraw/zinc/54/02/92/1338540292.db2.gz BWLCVBNVDQPHAQ-WCQYABFASA-N 1 2 328.790 3.011 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(N(C)CCC)cc2)C1 ZINC001016409025 1338592652 /nfs/dbraw/zinc/59/26/52/1338592652.db2.gz RCQXDATZTRYOJX-INIZCTEOSA-N 1 2 335.879 3.089 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(N(C)CCC)cc2)C1 ZINC001016409025 1338592653 /nfs/dbraw/zinc/59/26/53/1338592653.db2.gz RCQXDATZTRYOJX-INIZCTEOSA-N 1 2 335.879 3.089 20 30 EGEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2ccco2)s1 ZINC001018133515 1339509943 /nfs/dbraw/zinc/50/99/43/1339509943.db2.gz YVQGYUKDJVMQBO-OKILXGFUSA-N 1 2 328.437 3.483 20 30 EGEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2ccco2)s1 ZINC001018133515 1339509945 /nfs/dbraw/zinc/50/99/45/1339509945.db2.gz YVQGYUKDJVMQBO-OKILXGFUSA-N 1 2 328.437 3.483 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC001018241674 1339545980 /nfs/dbraw/zinc/54/59/80/1339545980.db2.gz GMJXBRAORFXQQF-HDICACEKSA-N 1 2 342.870 3.070 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC001018241674 1339545983 /nfs/dbraw/zinc/54/59/83/1339545983.db2.gz GMJXBRAORFXQQF-HDICACEKSA-N 1 2 342.870 3.070 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc2ccc(OC)cc2[nH]1 ZINC001028064537 1340405660 /nfs/dbraw/zinc/40/56/60/1340405660.db2.gz LHGGNDOKAORCHX-AWEZNQCLSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc2ccc(OC)cc2[nH]1 ZINC001028064537 1340405664 /nfs/dbraw/zinc/40/56/64/1340405664.db2.gz LHGGNDOKAORCHX-AWEZNQCLSA-N 1 2 347.846 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2ccccc2C1 ZINC001028164110 1340461165 /nfs/dbraw/zinc/46/11/65/1340461165.db2.gz HXHUYXSVQSQSNR-ROUUACIJSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2ccccc2C1 ZINC001028164110 1340461167 /nfs/dbraw/zinc/46/11/67/1340461167.db2.gz HXHUYXSVQSQSNR-ROUUACIJSA-N 1 2 332.875 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc2ccccc2c1 ZINC001028167287 1340463537 /nfs/dbraw/zinc/46/35/37/1340463537.db2.gz WFKZFTMBDLBRDH-MRXNPFEDSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnc2ccccc2c1 ZINC001028167287 1340463539 /nfs/dbraw/zinc/46/35/39/1340463539.db2.gz WFKZFTMBDLBRDH-MRXNPFEDSA-N 1 2 329.831 3.182 20 30 EGEDLO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1Cl)[C@H]1CC12CC2 ZINC001028168753 1340464078 /nfs/dbraw/zinc/46/40/78/1340464078.db2.gz ZHFMCDOAENFIDG-DLBZAZTESA-N 1 2 342.870 3.072 20 30 EGEDLO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl)[C@H]1CC12CC2 ZINC001028168753 1340464080 /nfs/dbraw/zinc/46/40/80/1340464080.db2.gz ZHFMCDOAENFIDG-DLBZAZTESA-N 1 2 342.870 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)c(OC)c1 ZINC001028179993 1340470081 /nfs/dbraw/zinc/47/00/81/1340470081.db2.gz SXHZLCZMXCEGPQ-CYBMUJFWSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)c(OC)c1 ZINC001028179993 1340470083 /nfs/dbraw/zinc/47/00/83/1340470083.db2.gz SXHZLCZMXCEGPQ-CYBMUJFWSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1sc(C)cc1OC ZINC001028181878 1340471960 /nfs/dbraw/zinc/47/19/60/1340471960.db2.gz ISZUPWUEMUDHBB-LBPRGKRZSA-N 1 2 328.865 3.012 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1sc(C)cc1OC ZINC001028181878 1340471962 /nfs/dbraw/zinc/47/19/62/1340471962.db2.gz ISZUPWUEMUDHBB-LBPRGKRZSA-N 1 2 328.865 3.012 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2ccn(C)c2c1 ZINC001028242036 1340503035 /nfs/dbraw/zinc/50/30/35/1340503035.db2.gz ZJOGDVBMKIFTBZ-MRXNPFEDSA-N 1 2 331.847 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2ccn(C)c2c1 ZINC001028242036 1340503040 /nfs/dbraw/zinc/50/30/40/1340503040.db2.gz ZJOGDVBMKIFTBZ-MRXNPFEDSA-N 1 2 331.847 3.125 20 30 EGEDLO C[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029197742 1340953051 /nfs/dbraw/zinc/95/30/51/1340953051.db2.gz FBUPAMHOJAOUEV-DQEVTTJGSA-N 1 2 342.870 3.023 20 30 EGEDLO C[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029197742 1340953053 /nfs/dbraw/zinc/95/30/53/1340953053.db2.gz FBUPAMHOJAOUEV-DQEVTTJGSA-N 1 2 342.870 3.023 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001029420355 1340986285 /nfs/dbraw/zinc/98/62/85/1340986285.db2.gz ZHTSCGDNHMKDKC-KDURUIRLSA-N 1 2 337.467 3.336 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001029420355 1340986286 /nfs/dbraw/zinc/98/62/86/1340986286.db2.gz ZHTSCGDNHMKDKC-KDURUIRLSA-N 1 2 337.467 3.336 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC)c(F)c1 ZINC001029423317 1340986706 /nfs/dbraw/zinc/98/67/06/1340986706.db2.gz WJAWEJCWTZWPKZ-IYBDPMFKSA-N 1 2 346.446 3.222 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC)c(F)c1 ZINC001029423317 1340986707 /nfs/dbraw/zinc/98/67/07/1340986707.db2.gz WJAWEJCWTZWPKZ-IYBDPMFKSA-N 1 2 346.446 3.222 20 30 EGEDLO CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029450308 1340992511 /nfs/dbraw/zinc/99/25/11/1340992511.db2.gz DDHAAPRVLLFHIR-OKILXGFUSA-N 1 2 331.485 3.231 20 30 EGEDLO CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029450308 1340992512 /nfs/dbraw/zinc/99/25/12/1340992512.db2.gz DDHAAPRVLLFHIR-OKILXGFUSA-N 1 2 331.485 3.231 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C#N)s2)C1 ZINC001029466131 1340996868 /nfs/dbraw/zinc/99/68/68/1340996868.db2.gz BYJGZIYHJARWAB-GASCZTMLSA-N 1 2 341.480 3.151 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)s2)C1 ZINC001029466131 1340996870 /nfs/dbraw/zinc/99/68/70/1340996870.db2.gz BYJGZIYHJARWAB-GASCZTMLSA-N 1 2 341.480 3.151 20 30 EGEDLO CC(C)[C@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001029534642 1341006628 /nfs/dbraw/zinc/00/66/28/1341006628.db2.gz ODJLZXDVZLYGTF-WCIQWLHISA-N 1 2 337.467 3.026 20 30 EGEDLO CC(C)[C@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001029534642 1341006629 /nfs/dbraw/zinc/00/66/29/1341006629.db2.gz ODJLZXDVZLYGTF-WCIQWLHISA-N 1 2 337.467 3.026 20 30 EGEDLO C=C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C\Cl)c1ccccc1 ZINC001029593673 1341018065 /nfs/dbraw/zinc/01/80/65/1341018065.db2.gz FOLNHBXOTGCXSR-ZLLZIUJISA-N 1 2 330.859 3.384 20 30 EGEDLO C=C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C\Cl)c1ccccc1 ZINC001029593673 1341018066 /nfs/dbraw/zinc/01/80/66/1341018066.db2.gz FOLNHBXOTGCXSR-ZLLZIUJISA-N 1 2 330.859 3.384 20 30 EGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+]([C@@H](CC)c2ccc(F)cc2)C1 ZINC001030332940 1341179047 /nfs/dbraw/zinc/17/90/47/1341179047.db2.gz VABAPZBBYLNQLX-QYZOEREBSA-N 1 2 346.446 3.058 20 30 EGEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001031667814 1341386003 /nfs/dbraw/zinc/38/60/03/1341386003.db2.gz OLRSROTWFXZZSK-KRWDZBQOSA-N 1 2 337.467 3.077 20 30 EGEDLO CCC[C@@H]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031795667 1341402837 /nfs/dbraw/zinc/40/28/37/1341402837.db2.gz VUMZSFIQUWTZBR-YLJYHZDGSA-N 1 2 339.483 3.323 20 30 EGEDLO Cc1cc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)c(C)s1 ZINC001031822487 1341406340 /nfs/dbraw/zinc/40/63/40/1341406340.db2.gz NBFOJIHVGVHEBI-UHFFFAOYSA-N 1 2 339.464 3.098 20 30 EGEDLO Cc1ccc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)cc1C ZINC001032166801 1341467527 /nfs/dbraw/zinc/46/75/27/1341467527.db2.gz HPTQRKXNRPZBFR-UHFFFAOYSA-N 1 2 332.447 3.017 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2c(C)nsc2C)CC1 ZINC001032603126 1341554986 /nfs/dbraw/zinc/55/49/86/1341554986.db2.gz PXSZFWGHBAHSLS-IRXDYDNUSA-N 1 2 345.512 3.291 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2c(C)nsc2C)CC1 ZINC001032603126 1341554987 /nfs/dbraw/zinc/55/49/87/1341554987.db2.gz PXSZFWGHBAHSLS-IRXDYDNUSA-N 1 2 345.512 3.291 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3cc(C)cn3c2)C1 ZINC001033137717 1341737686 /nfs/dbraw/zinc/73/76/86/1341737686.db2.gz ZEKBETAXFCBYTO-KRWDZBQOSA-N 1 2 331.847 3.147 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3cc(C)cn3c2)C1 ZINC001033137717 1341737687 /nfs/dbraw/zinc/73/76/87/1341737687.db2.gz ZEKBETAXFCBYTO-KRWDZBQOSA-N 1 2 331.847 3.147 20 30 EGEDLO C=CCOc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CC(=C)Cl)C2)cc1 ZINC001033201937 1341751447 /nfs/dbraw/zinc/75/14/47/1341751447.db2.gz BTNOZNBUMXIYGW-INIZCTEOSA-N 1 2 334.847 3.150 20 30 EGEDLO C=CCOc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CC(=C)Cl)C2)cc1 ZINC001033201937 1341751451 /nfs/dbraw/zinc/75/14/51/1341751451.db2.gz BTNOZNBUMXIYGW-INIZCTEOSA-N 1 2 334.847 3.150 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC001033309601 1341776220 /nfs/dbraw/zinc/77/62/20/1341776220.db2.gz XQKBEJLWFOVJCX-SECBINFHSA-N 1 2 336.650 3.220 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC001033309601 1341776219 /nfs/dbraw/zinc/77/62/19/1341776219.db2.gz XQKBEJLWFOVJCX-SECBINFHSA-N 1 2 336.650 3.220 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC=CCC2)C1 ZINC001033327068 1341782127 /nfs/dbraw/zinc/78/21/27/1341782127.db2.gz BTWAZRBUKGEJTM-LSDHHAIUSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC=CCC2)C1 ZINC001033327068 1341782128 /nfs/dbraw/zinc/78/21/28/1341782128.db2.gz BTWAZRBUKGEJTM-LSDHHAIUSA-N 1 2 341.293 3.174 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@H+](Cc3csc(C)n3)C2)CC1 ZINC001033396461 1341812478 /nfs/dbraw/zinc/81/24/78/1341812478.db2.gz NTXDIFDTLRIECW-QGZVFWFLSA-N 1 2 333.501 3.231 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3csc(C)n3)C2)CC1 ZINC001033396461 1341812479 /nfs/dbraw/zinc/81/24/79/1341812479.db2.gz NTXDIFDTLRIECW-QGZVFWFLSA-N 1 2 333.501 3.231 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC001033400543 1341814597 /nfs/dbraw/zinc/81/45/97/1341814597.db2.gz WVAFAUZLPMFPJM-CQSZACIVSA-N 1 2 334.410 3.354 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC001033400543 1341814598 /nfs/dbraw/zinc/81/45/98/1341814598.db2.gz WVAFAUZLPMFPJM-CQSZACIVSA-N 1 2 334.410 3.354 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3ccncc3c2)C1 ZINC001033559338 1341871925 /nfs/dbraw/zinc/87/19/25/1341871925.db2.gz ZUIUMMJFPUQKSA-QGZVFWFLSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3ccncc3c2)C1 ZINC001033559338 1341871928 /nfs/dbraw/zinc/87/19/28/1341871928.db2.gz ZUIUMMJFPUQKSA-QGZVFWFLSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2ccc(F)cc2)C1 ZINC001033590628 1341887021 /nfs/dbraw/zinc/88/70/21/1341887021.db2.gz RDJCHUOPYJGPAR-MRXNPFEDSA-N 1 2 338.854 3.389 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2ccc(F)cc2)C1 ZINC001033590628 1341887022 /nfs/dbraw/zinc/88/70/22/1341887022.db2.gz RDJCHUOPYJGPAR-MRXNPFEDSA-N 1 2 338.854 3.389 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2CCC(C(F)F)CC2)C1 ZINC001033625916 1341909157 /nfs/dbraw/zinc/90/91/57/1341909157.db2.gz YQOMOXIHWLAOAB-RUXDESIVSA-N 1 2 334.838 3.343 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2CCC(C(F)F)CC2)C1 ZINC001033625916 1341909158 /nfs/dbraw/zinc/90/91/58/1341909158.db2.gz YQOMOXIHWLAOAB-RUXDESIVSA-N 1 2 334.838 3.343 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)CCCC3)C1 ZINC001033640403 1341922597 /nfs/dbraw/zinc/92/25/97/1341922597.db2.gz UIFJAZRUOOWODA-GOSISDBHSA-N 1 2 332.875 3.464 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)CCCC3)C1 ZINC001033640403 1341922598 /nfs/dbraw/zinc/92/25/98/1341922598.db2.gz UIFJAZRUOOWODA-GOSISDBHSA-N 1 2 332.875 3.464 20 30 EGEDLO CCN(C(=O)c1occc1C)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033742076 1341989105 /nfs/dbraw/zinc/98/91/05/1341989105.db2.gz HOQFFMAKQGHJAJ-SFHVURJKSA-N 1 2 337.423 3.196 20 30 EGEDLO CCN(C(=O)c1occc1C)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033742076 1341989107 /nfs/dbraw/zinc/98/91/07/1341989107.db2.gz HOQFFMAKQGHJAJ-SFHVURJKSA-N 1 2 337.423 3.196 20 30 EGEDLO CCN(C(=O)c1ccoc1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033749869 1341994222 /nfs/dbraw/zinc/99/42/22/1341994222.db2.gz NBMASXZSIJFGEH-KRWDZBQOSA-N 1 2 341.386 3.027 20 30 EGEDLO CCN(C(=O)c1ccoc1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033749869 1341994224 /nfs/dbraw/zinc/99/42/24/1341994224.db2.gz NBMASXZSIJFGEH-KRWDZBQOSA-N 1 2 341.386 3.027 20 30 EGEDLO CCN(C(=O)C1CC=CC1)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033779525 1341999684 /nfs/dbraw/zinc/99/96/84/1341999684.db2.gz CMDZNNKFQVWPIV-IBGZPJMESA-N 1 2 341.430 3.086 20 30 EGEDLO CCN(C(=O)C1CC=CC1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033779525 1341999686 /nfs/dbraw/zinc/99/96/86/1341999686.db2.gz CMDZNNKFQVWPIV-IBGZPJMESA-N 1 2 341.430 3.086 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc(C(C)(C)C)on2)C1 ZINC001033899229 1342070884 /nfs/dbraw/zinc/07/08/84/1342070884.db2.gz GKBUZFGTMHSPNE-ZDUSSCGKSA-N 1 2 339.867 3.261 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C(C)(C)C)on2)C1 ZINC001033899229 1342070886 /nfs/dbraw/zinc/07/08/86/1342070886.db2.gz GKBUZFGTMHSPNE-ZDUSSCGKSA-N 1 2 339.867 3.261 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](Cc3ncc(C)o3)C2)CC1 ZINC001033944118 1342105214 /nfs/dbraw/zinc/10/52/14/1342105214.db2.gz DLYFYXBWGCVIIW-QGZVFWFLSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](Cc3ncc(C)o3)C2)CC1 ZINC001033944118 1342105215 /nfs/dbraw/zinc/10/52/15/1342105215.db2.gz DLYFYXBWGCVIIW-QGZVFWFLSA-N 1 2 331.460 3.152 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+]([C@@H](C)c3nc(C)no3)C2)CC1 ZINC001033950183 1342108473 /nfs/dbraw/zinc/10/84/73/1342108473.db2.gz MMHGXIKMVIZMEL-WMLDXEAASA-N 1 2 346.475 3.108 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@H+]([C@@H](C)c3nc(C)no3)C2)CC1 ZINC001033950183 1342108474 /nfs/dbraw/zinc/10/84/74/1342108474.db2.gz MMHGXIKMVIZMEL-WMLDXEAASA-N 1 2 346.475 3.108 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@@H+]([C@H](C)c3nnc(C)o3)C2)CC1 ZINC001033952143 1342110829 /nfs/dbraw/zinc/11/08/29/1342110829.db2.gz ZIHQQYOBVGLUDG-PBHICJAKSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@H+]([C@H](C)c3nnc(C)o3)C2)CC1 ZINC001033952143 1342110832 /nfs/dbraw/zinc/11/08/32/1342110832.db2.gz ZIHQQYOBVGLUDG-PBHICJAKSA-N 1 2 346.475 3.108 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001033956987 1342112573 /nfs/dbraw/zinc/11/25/73/1342112573.db2.gz IJFZNIHTJGIWTE-ZIAGYGMSSA-N 1 2 334.838 3.487 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001033956987 1342112575 /nfs/dbraw/zinc/11/25/75/1342112575.db2.gz IJFZNIHTJGIWTE-ZIAGYGMSSA-N 1 2 334.838 3.487 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)C2CCCCC2)C1 ZINC001034079837 1342217898 /nfs/dbraw/zinc/21/78/98/1342217898.db2.gz BCXBIBBRBQZLBU-OAHLLOKOSA-N 1 2 343.309 3.446 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)C2CCCCC2)C1 ZINC001034079837 1342217895 /nfs/dbraw/zinc/21/78/95/1342217895.db2.gz BCXBIBBRBQZLBU-OAHLLOKOSA-N 1 2 343.309 3.446 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@H](NC(=O)C2CC=CC2)C1 ZINC001034146115 1342270175 /nfs/dbraw/zinc/27/01/75/1342270175.db2.gz UFGWIYWXQDGIBZ-IBGZPJMESA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@H](NC(=O)C2CC=CC2)C1 ZINC001034146115 1342270176 /nfs/dbraw/zinc/27/01/76/1342270176.db2.gz UFGWIYWXQDGIBZ-IBGZPJMESA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001034304257 1342386960 /nfs/dbraw/zinc/38/69/60/1342386960.db2.gz QMUNPKLTEILJST-HNNXBMFYSA-N 1 2 346.862 3.208 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001034304257 1342386963 /nfs/dbraw/zinc/38/69/63/1342386963.db2.gz QMUNPKLTEILJST-HNNXBMFYSA-N 1 2 346.862 3.208 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@@H+](Cc3cc(C)on3)C2)CC1 ZINC001034375338 1342444506 /nfs/dbraw/zinc/44/45/06/1342444506.db2.gz ARDBCCHALIGKDK-KRWDZBQOSA-N 1 2 331.460 3.200 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@H+](Cc3cc(C)on3)C2)CC1 ZINC001034375338 1342444511 /nfs/dbraw/zinc/44/45/11/1342444511.db2.gz ARDBCCHALIGKDK-KRWDZBQOSA-N 1 2 331.460 3.200 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@@H+]([C@H](C)c3nnc(C)o3)C2)CC1 ZINC001034379910 1342449428 /nfs/dbraw/zinc/44/94/28/1342449428.db2.gz GVZCRJUZGJTXFF-RHSMWYFYSA-N 1 2 346.475 3.156 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@H+]([C@H](C)c3nnc(C)o3)C2)CC1 ZINC001034379910 1342449434 /nfs/dbraw/zinc/44/94/34/1342449434.db2.gz GVZCRJUZGJTXFF-RHSMWYFYSA-N 1 2 346.475 3.156 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(Cl)ccc2Cl)C1 ZINC001035584933 1343093950 /nfs/dbraw/zinc/09/39/50/1343093950.db2.gz ZOVFBKKJOVNRMQ-ZDUSSCGKSA-N 1 2 343.254 3.000 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(Cl)ccc2Cl)C1 ZINC001035584933 1343093956 /nfs/dbraw/zinc/09/39/56/1343093956.db2.gz ZOVFBKKJOVNRMQ-ZDUSSCGKSA-N 1 2 343.254 3.000 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c(Cl)cccc2Cl)C1 ZINC001035592015 1343095400 /nfs/dbraw/zinc/09/54/00/1343095400.db2.gz ZSVDUKWJZJZFSU-GFCCVEGCSA-N 1 2 343.254 3.000 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2c(Cl)cccc2Cl)C1 ZINC001035592015 1343095406 /nfs/dbraw/zinc/09/54/06/1343095406.db2.gz ZSVDUKWJZJZFSU-GFCCVEGCSA-N 1 2 343.254 3.000 20 30 EGEDLO C[C@H](C#N)C(=O)N1CCC2(C[NH+](Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC001035672580 1343131597 /nfs/dbraw/zinc/13/15/97/1343131597.db2.gz IZRKBBWBHVOGPW-CYBMUJFWSA-N 1 2 349.837 3.063 20 30 EGEDLO C[C@H](C#N)C(=O)N1CCC2(C[NH+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC001035674155 1343132752 /nfs/dbraw/zinc/13/27/52/1343132752.db2.gz SRYBNDVSCRBQOP-CYBMUJFWSA-N 1 2 349.837 3.063 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cccc(F)c1C)CC2 ZINC001035709610 1343145305 /nfs/dbraw/zinc/14/53/05/1343145305.db2.gz IRKMOZQJXZKAOP-UHFFFAOYSA-N 1 2 336.838 3.425 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1[nH]ccc1C1CC1)CC2 ZINC001035718549 1343150338 /nfs/dbraw/zinc/15/03/38/1343150338.db2.gz MSXZARIPFIWCSY-UHFFFAOYSA-N 1 2 333.863 3.183 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1c(C)noc1C1CC1)CC2 ZINC001035751329 1343170081 /nfs/dbraw/zinc/17/00/81/1343170081.db2.gz QZNDGNWGOKTQTJ-UHFFFAOYSA-N 1 2 349.862 3.151 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC2(C[NH+](Cc3csc(C)n3)C2)CC1 ZINC001035764017 1343176752 /nfs/dbraw/zinc/17/67/52/1343176752.db2.gz AFDJFXQKXCKPOT-UHFFFAOYSA-N 1 2 333.501 3.088 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC2(C[NH+](Cc3ncoc3C(C)C)C2)CC1 ZINC001035766837 1343178942 /nfs/dbraw/zinc/17/89/42/1343178942.db2.gz KSABKDMQXXSAJG-UHFFFAOYSA-N 1 2 345.487 3.435 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC3(C[NH+]([C@H](C)c4ncc(C)o4)C3)CC2)C1 ZINC001035788855 1343200626 /nfs/dbraw/zinc/20/06/26/1343200626.db2.gz LTKHDZFSPNXEQO-MRXNPFEDSA-N 1 2 343.471 3.325 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccc(Cl)cn1)CC2 ZINC001035840906 1343223030 /nfs/dbraw/zinc/22/30/30/1343223030.db2.gz GPNQEWVUJOVUID-UHFFFAOYSA-N 1 2 340.254 3.026 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)Cc1ccccc1F)CC2 ZINC001035848256 1343228472 /nfs/dbraw/zinc/22/84/72/1343228472.db2.gz WYMZTZXAPAGRJH-UHFFFAOYSA-N 1 2 336.838 3.045 20 30 EGEDLO C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038164536 1344307331 /nfs/dbraw/zinc/30/73/31/1344307331.db2.gz UQIBVDYMOPMFJV-OCCSQVGLSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@H](c1ccccc1Cl)[N@H+]1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038164536 1344307334 /nfs/dbraw/zinc/30/73/34/1344307334.db2.gz UQIBVDYMOPMFJV-OCCSQVGLSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038169225 1344308928 /nfs/dbraw/zinc/30/89/28/1344308928.db2.gz SLNRBBSZYRRDPD-IUODEOHRSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038169225 1344308931 /nfs/dbraw/zinc/30/89/31/1344308931.db2.gz SLNRBBSZYRRDPD-IUODEOHRSA-N 1 2 342.830 3.105 20 30 EGEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1CCCC2(CC2)C1 ZINC001038248312 1344342254 /nfs/dbraw/zinc/34/22/54/1344342254.db2.gz VGMWZKYNHDBUFJ-PMACEKPBSA-N 1 2 336.479 3.199 20 30 EGEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1CCCC2(CC2)C1 ZINC001038248312 1344342258 /nfs/dbraw/zinc/34/22/58/1344342258.db2.gz VGMWZKYNHDBUFJ-PMACEKPBSA-N 1 2 336.479 3.199 20 30 EGEDLO C=CCOc1ccccc1C(=O)NC[C@@H]1CC[N@H+]1CCC(F)(F)F ZINC001038427155 1344423251 /nfs/dbraw/zinc/42/32/51/1344423251.db2.gz FMAYRLRZDJVXKL-ZDUSSCGKSA-N 1 2 342.361 3.008 20 30 EGEDLO C=CCOc1ccccc1C(=O)NC[C@@H]1CC[N@@H+]1CCC(F)(F)F ZINC001038427155 1344423254 /nfs/dbraw/zinc/42/32/54/1344423254.db2.gz FMAYRLRZDJVXKL-ZDUSSCGKSA-N 1 2 342.361 3.008 20 30 EGEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001038540005 1344473717 /nfs/dbraw/zinc/47/37/17/1344473717.db2.gz GUQARXLETTZYSD-MXEMCNAFSA-N 1 2 336.479 3.055 20 30 EGEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001038540005 1344473726 /nfs/dbraw/zinc/47/37/26/1344473726.db2.gz GUQARXLETTZYSD-MXEMCNAFSA-N 1 2 336.479 3.055 20 30 EGEDLO CC1(C)CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001038604404 1344499446 /nfs/dbraw/zinc/49/94/46/1344499446.db2.gz SYIXOXPHMDOIRA-SJORKVTESA-N 1 2 343.446 3.214 20 30 EGEDLO CC1(C)CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001038604404 1344499448 /nfs/dbraw/zinc/49/94/48/1344499448.db2.gz SYIXOXPHMDOIRA-SJORKVTESA-N 1 2 343.446 3.214 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)c(F)c2)CC1 ZINC001038662722 1344528225 /nfs/dbraw/zinc/52/82/25/1344528225.db2.gz UKMCDAWIFJGMRN-SFHVURJKSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)c(F)c2)CC1 ZINC001038662722 1344528227 /nfs/dbraw/zinc/52/82/27/1344528227.db2.gz UKMCDAWIFJGMRN-SFHVURJKSA-N 1 2 341.430 3.134 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccc(Cl)s2)c1 ZINC001038989132 1344700044 /nfs/dbraw/zinc/70/00/44/1344700044.db2.gz NNBGOEKOLUGRLS-CQSZACIVSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccc(Cl)s2)c1 ZINC001038989132 1344700047 /nfs/dbraw/zinc/70/00/47/1344700047.db2.gz NNBGOEKOLUGRLS-CQSZACIVSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccc(Cl)s2)cc1 ZINC001038990419 1344700605 /nfs/dbraw/zinc/70/06/05/1344700605.db2.gz ZLPUSKKWGPLHTG-AWEZNQCLSA-N 1 2 345.855 3.277 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccc(Cl)s2)cc1 ZINC001038990419 1344700610 /nfs/dbraw/zinc/70/06/10/1344700610.db2.gz ZLPUSKKWGPLHTG-AWEZNQCLSA-N 1 2 345.855 3.277 20 30 EGEDLO CC(C)(C)C1CC(C(=O)NC[C@H]2CC[N@@H+]2CC#Cc2ccccc2)C1 ZINC001039077571 1344757976 /nfs/dbraw/zinc/75/79/76/1344757976.db2.gz IEFILRRSABPDQT-SOAGJPPSSA-N 1 2 338.495 3.301 20 30 EGEDLO CC(C)(C)C1CC(C(=O)NC[C@H]2CC[N@H+]2CC#Cc2ccccc2)C1 ZINC001039077571 1344757978 /nfs/dbraw/zinc/75/79/78/1344757978.db2.gz IEFILRRSABPDQT-SOAGJPPSSA-N 1 2 338.495 3.301 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1COC ZINC001039399619 1345046261 /nfs/dbraw/zinc/04/62/61/1345046261.db2.gz KTRPKJRGGBOHIF-SJORKVTESA-N 1 2 348.874 3.264 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1COC ZINC001039399619 1345046264 /nfs/dbraw/zinc/04/62/64/1345046264.db2.gz KTRPKJRGGBOHIF-SJORKVTESA-N 1 2 348.874 3.264 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(CC)c1C ZINC001039423339 1345061426 /nfs/dbraw/zinc/06/14/26/1345061426.db2.gz OZLXIVBWIFBCNN-CVEARBPZSA-N 1 2 335.879 3.248 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(CC)c1C ZINC001039423339 1345061427 /nfs/dbraw/zinc/06/14/27/1345061427.db2.gz OZLXIVBWIFBCNN-CVEARBPZSA-N 1 2 335.879 3.248 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1cccs1 ZINC001039468610 1345086416 /nfs/dbraw/zinc/08/64/16/1345086416.db2.gz WILKCYZGQFNKRZ-CABCVRRESA-N 1 2 338.904 3.499 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1cccs1 ZINC001039468610 1345086418 /nfs/dbraw/zinc/08/64/18/1345086418.db2.gz WILKCYZGQFNKRZ-CABCVRRESA-N 1 2 338.904 3.499 20 30 EGEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H](C)c1cccc(F)c1 ZINC001039528499 1345131127 /nfs/dbraw/zinc/13/11/27/1345131127.db2.gz OALHGDXYKPKAMG-NONVJHHQSA-N 1 2 329.419 3.112 20 30 EGEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H](C)c1cccc(F)c1 ZINC001039528499 1345131130 /nfs/dbraw/zinc/13/11/30/1345131130.db2.gz OALHGDXYKPKAMG-NONVJHHQSA-N 1 2 329.419 3.112 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(F)=C(C)C)C[C@H]21 ZINC001042012489 1345925261 /nfs/dbraw/zinc/92/52/61/1345925261.db2.gz HZULZBHDLCEDPN-CHWSQXEVSA-N 1 2 345.256 3.081 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)C(F)=C(C)C)C[C@H]21 ZINC001042012489 1345925260 /nfs/dbraw/zinc/92/52/60/1345925260.db2.gz HZULZBHDLCEDPN-CHWSQXEVSA-N 1 2 345.256 3.081 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3c(C)onc3C3CC3)C[C@H]21 ZINC001042156572 1345958879 /nfs/dbraw/zinc/95/88/79/1345958879.db2.gz UUMIKCCYUIEAIG-DZGCQCFKSA-N 1 2 349.862 3.149 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3c(C)onc3C3CC3)C[C@H]21 ZINC001042156572 1345958880 /nfs/dbraw/zinc/95/88/80/1345958880.db2.gz UUMIKCCYUIEAIG-DZGCQCFKSA-N 1 2 349.862 3.149 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(OC)cs3)C[C@@H]21 ZINC001042180974 1345969788 /nfs/dbraw/zinc/96/97/88/1345969788.db2.gz BGJOGAGYPQMNAG-OCCSQVGLSA-N 1 2 340.876 3.046 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(OC)cs3)C[C@@H]21 ZINC001042180974 1345969790 /nfs/dbraw/zinc/96/97/90/1345969790.db2.gz BGJOGAGYPQMNAG-OCCSQVGLSA-N 1 2 340.876 3.046 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+]([C@@H]3CCc4c3cccc4F)C2)C1 ZINC001043810250 1346212352 /nfs/dbraw/zinc/21/23/52/1346212352.db2.gz GCPPKKJONRJEJN-GOSISDBHSA-N 1 2 328.431 3.312 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]1C[NH2+]Cc1nc(CCCC)no1 ZINC001045185914 1346522276 /nfs/dbraw/zinc/52/22/76/1346522276.db2.gz PJLXCARZPDDUBO-HNAYVOBHSA-N 1 2 348.491 3.095 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1nc(C)no1 ZINC001045826166 1346710086 /nfs/dbraw/zinc/71/00/86/1346710086.db2.gz RWHDKERKLAIRTG-BMFZPTHFSA-N 1 2 346.475 3.107 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1nc(C)no1 ZINC001045826166 1346710088 /nfs/dbraw/zinc/71/00/88/1346710088.db2.gz RWHDKERKLAIRTG-BMFZPTHFSA-N 1 2 346.475 3.107 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2sccc2C)C1 ZINC001046314951 1346931151 /nfs/dbraw/zinc/93/11/51/1346931151.db2.gz GICAPYAMXXOJJK-CKEIUWERSA-N 1 2 338.904 3.493 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2sccc2C)C1 ZINC001046314951 1346931153 /nfs/dbraw/zinc/93/11/53/1346931153.db2.gz GICAPYAMXXOJJK-CKEIUWERSA-N 1 2 338.904 3.493 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2COc3cc(C)c(C)cc32)C1 ZINC001046514073 1347000447 /nfs/dbraw/zinc/00/04/47/1347000447.db2.gz BTTNIOZOFDNRRR-QFBILLFUSA-N 1 2 348.874 3.113 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2COc3cc(C)c(C)cc32)C1 ZINC001046514073 1347000449 /nfs/dbraw/zinc/00/04/49/1347000449.db2.gz BTTNIOZOFDNRRR-QFBILLFUSA-N 1 2 348.874 3.113 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001046567085 1347020652 /nfs/dbraw/zinc/02/06/52/1347020652.db2.gz KAQDUJISCRCRCJ-KZULUSFZSA-N 1 2 334.847 3.129 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001046567085 1347020656 /nfs/dbraw/zinc/02/06/56/1347020656.db2.gz KAQDUJISCRCRCJ-KZULUSFZSA-N 1 2 334.847 3.129 20 30 EGEDLO C=C1CCC(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ncc(CC)o3)C2)CC1 ZINC001046594680 1347031222 /nfs/dbraw/zinc/03/12/22/1347031222.db2.gz NDDPJFFBHRVKDX-IBGZPJMESA-N 1 2 331.460 3.064 20 30 EGEDLO C=C1CCC(C(=O)N[C@@]2(C)CC[N@H+](Cc3ncc(CC)o3)C2)CC1 ZINC001046594680 1347031223 /nfs/dbraw/zinc/03/12/23/1347031223.db2.gz NDDPJFFBHRVKDX-IBGZPJMESA-N 1 2 331.460 3.064 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2coc(-c3ccccc3)n2)C1 ZINC001046781968 1347097611 /nfs/dbraw/zinc/09/76/11/1347097611.db2.gz SSIOJVOHWSJOQE-GOSISDBHSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2coc(-c3ccccc3)n2)C1 ZINC001046781968 1347097614 /nfs/dbraw/zinc/09/76/14/1347097614.db2.gz SSIOJVOHWSJOQE-GOSISDBHSA-N 1 2 345.830 3.288 20 30 EGEDLO C[C@@]1(NC(=O)c2ccc(F)s2)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046867773 1347138788 /nfs/dbraw/zinc/13/87/88/1347138788.db2.gz KFQCKRWQUXRIHC-GOSISDBHSA-N 1 2 343.427 3.153 20 30 EGEDLO C[C@@]1(NC(=O)c2ccc(F)s2)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046867773 1347138789 /nfs/dbraw/zinc/13/87/89/1347138789.db2.gz KFQCKRWQUXRIHC-GOSISDBHSA-N 1 2 343.427 3.153 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccsc2C)C1 ZINC001046933458 1347156330 /nfs/dbraw/zinc/15/63/30/1347156330.db2.gz DKHUVTQBGOJKRZ-GFCCVEGCSA-N 1 2 348.846 3.496 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccsc2C)C1 ZINC001046933458 1347156332 /nfs/dbraw/zinc/15/63/32/1347156332.db2.gz DKHUVTQBGOJKRZ-GFCCVEGCSA-N 1 2 348.846 3.496 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001079758572 1357371257 /nfs/dbraw/zinc/37/12/57/1357371257.db2.gz MFMLZTFQYQEQSB-XNRPHZJLSA-N 1 2 341.293 3.078 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001079758572 1357371260 /nfs/dbraw/zinc/37/12/60/1357371260.db2.gz MFMLZTFQYQEQSB-XNRPHZJLSA-N 1 2 341.293 3.078 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CCC1 ZINC001049277910 1347765496 /nfs/dbraw/zinc/76/54/96/1347765496.db2.gz YJZDULKXWYCXNK-OALUTQOASA-N 1 2 341.430 3.063 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CCC1 ZINC001049277910 1347765499 /nfs/dbraw/zinc/76/54/99/1347765499.db2.gz YJZDULKXWYCXNK-OALUTQOASA-N 1 2 341.430 3.063 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1c(C)noc1C1CC1 ZINC001049597932 1347930080 /nfs/dbraw/zinc/93/00/80/1347930080.db2.gz HMOSVUOHSWIABZ-HUUCEWRRSA-N 1 2 349.862 3.292 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1c(C)noc1C1CC1 ZINC001049597932 1347930082 /nfs/dbraw/zinc/93/00/82/1347930082.db2.gz HMOSVUOHSWIABZ-HUUCEWRRSA-N 1 2 349.862 3.292 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ocnc1C(F)F ZINC001049720978 1347990282 /nfs/dbraw/zinc/99/02/82/1347990282.db2.gz VKOAPCOAWGGBJI-GHMZBOCLSA-N 1 2 345.777 3.044 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ocnc1C(F)F ZINC001049720978 1347990284 /nfs/dbraw/zinc/99/02/84/1347990284.db2.gz VKOAPCOAWGGBJI-GHMZBOCLSA-N 1 2 345.777 3.044 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1oc(C2CC2)nc1C ZINC001049783611 1348019825 /nfs/dbraw/zinc/01/98/25/1348019825.db2.gz UQNOHUFDVCSWSJ-GJZGRUSLSA-N 1 2 349.862 3.292 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1oc(C2CC2)nc1C ZINC001049783611 1348019827 /nfs/dbraw/zinc/01/98/27/1348019827.db2.gz UQNOHUFDVCSWSJ-GJZGRUSLSA-N 1 2 349.862 3.292 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)C ZINC001049856264 1348063790 /nfs/dbraw/zinc/06/37/90/1348063790.db2.gz DIYVCIAOJLJYHM-STQMWFEESA-N 1 2 329.282 3.006 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)C ZINC001049856264 1348063791 /nfs/dbraw/zinc/06/37/91/1348063791.db2.gz DIYVCIAOJLJYHM-STQMWFEESA-N 1 2 329.282 3.006 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc(C2CCCC2)c1 ZINC001051209542 1348402988 /nfs/dbraw/zinc/40/29/88/1348402988.db2.gz KSVHBJNVHTZHTF-HXUWFJFHSA-N 1 2 342.483 3.351 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cccc(C2CCCC2)c1 ZINC001051209542 1348402989 /nfs/dbraw/zinc/40/29/89/1348402989.db2.gz KSVHBJNVHTZHTF-HXUWFJFHSA-N 1 2 342.483 3.351 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc2cc(C)c(C)cc2o1 ZINC001051210897 1348403526 /nfs/dbraw/zinc/40/35/26/1348403526.db2.gz PLTRMICZMGLDET-KRWDZBQOSA-N 1 2 342.439 3.056 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc2cc(C)c(C)cc2o1 ZINC001051210897 1348403527 /nfs/dbraw/zinc/40/35/27/1348403527.db2.gz PLTRMICZMGLDET-KRWDZBQOSA-N 1 2 342.439 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)c3c[nH]cc3C)cccc2C1 ZINC001051306702 1348428023 /nfs/dbraw/zinc/42/80/23/1348428023.db2.gz MNADSIKSYZTMSY-UHFFFAOYSA-N 1 2 343.858 3.364 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)c3c[nH]cc3C)cccc2C1 ZINC001051306702 1348428025 /nfs/dbraw/zinc/42/80/25/1348428025.db2.gz MNADSIKSYZTMSY-UHFFFAOYSA-N 1 2 343.858 3.364 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc3ccc(C)nc32)C1 ZINC001079930787 1357426569 /nfs/dbraw/zinc/42/65/69/1357426569.db2.gz RBIASLLLYOYQGQ-SJKOYZFVSA-N 1 2 343.858 3.346 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc3ccc(C)nc32)C1 ZINC001079930787 1357426570 /nfs/dbraw/zinc/42/65/70/1357426570.db2.gz RBIASLLLYOYQGQ-SJKOYZFVSA-N 1 2 343.858 3.346 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCOC2(C[NH+]([C@@H](C)c3ccccc3C)C2)C1 ZINC001053374037 1349013914 /nfs/dbraw/zinc/01/39/14/1349013914.db2.gz UKNSTOBRQLFNPO-KRWDZBQOSA-N 1 2 342.483 3.181 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C)ccc1C1CC1)O2 ZINC001053639449 1349083356 /nfs/dbraw/zinc/08/33/56/1349083356.db2.gz QMPJDRXERIOWFB-KRWDZBQOSA-N 1 2 340.467 3.022 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C)ccc1C1CC1)CO2 ZINC001053882376 1349121043 /nfs/dbraw/zinc/12/10/43/1349121043.db2.gz XVHZUUQMZOAWSJ-KRWDZBQOSA-N 1 2 340.467 3.022 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C)c(C)c1Cl)CO2 ZINC001053980935 1349127137 /nfs/dbraw/zinc/12/71/37/1349127137.db2.gz URRRDEWAPTUDPC-OAHLLOKOSA-N 1 2 348.874 3.106 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(CC(C)C)cc1)CO2 ZINC001054004244 1349130351 /nfs/dbraw/zinc/13/03/51/1349130351.db2.gz KAHJNOMMCOZZAM-IBGZPJMESA-N 1 2 342.483 3.034 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc[nH]c3C3CCC3)cc2C1 ZINC001054281637 1349282758 /nfs/dbraw/zinc/28/27/58/1349282758.db2.gz UCSWOQOKJSFSDH-UHFFFAOYSA-N 1 2 333.435 3.161 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc[nH]c3C3CCC3)cc2C1 ZINC001054281637 1349282760 /nfs/dbraw/zinc/28/27/60/1349282760.db2.gz UCSWOQOKJSFSDH-UHFFFAOYSA-N 1 2 333.435 3.161 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3occ4c3CCCC4)cc2C1 ZINC001054291085 1349296037 /nfs/dbraw/zinc/29/60/37/1349296037.db2.gz UDVVZUIZFVHIER-UHFFFAOYSA-N 1 2 334.419 3.037 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3occ4c3CCCC4)cc2C1 ZINC001054291085 1349296039 /nfs/dbraw/zinc/29/60/39/1349296039.db2.gz UDVVZUIZFVHIER-UHFFFAOYSA-N 1 2 334.419 3.037 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c([nH]2)c(F)ccc3C)C1 ZINC001080001004 1357453869 /nfs/dbraw/zinc/45/38/69/1357453869.db2.gz DBDFOOMPXIUZGB-BDJLRTHQSA-N 1 2 349.837 3.418 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c([nH]2)c(F)ccc3C)C1 ZINC001080001004 1357453874 /nfs/dbraw/zinc/45/38/74/1357453874.db2.gz DBDFOOMPXIUZGB-BDJLRTHQSA-N 1 2 349.837 3.418 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(CNc2cc[nH+]c(C)n2)C1 ZINC001055674819 1349687435 /nfs/dbraw/zinc/68/74/35/1349687435.db2.gz BIWRIEHTKZACAN-KXBFYZLASA-N 1 2 328.460 3.038 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001080142000 1357499886 /nfs/dbraw/zinc/49/98/86/1357499886.db2.gz AALHZURQTLUVJW-SSKCKEOISA-N 1 2 336.838 3.045 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001080142000 1357499888 /nfs/dbraw/zinc/49/98/88/1357499888.db2.gz AALHZURQTLUVJW-SSKCKEOISA-N 1 2 336.838 3.045 20 30 EGEDLO C=CCCCC(=O)N(CC)C1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001080387904 1357599302 /nfs/dbraw/zinc/59/93/02/1357599302.db2.gz VTQNMOAQMMENGR-UHFFFAOYSA-N 1 2 343.471 3.036 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2Cl)C1 ZINC001080487582 1357639774 /nfs/dbraw/zinc/63/97/74/1357639774.db2.gz CHIXZMRWYSVODF-IAQYHMDHSA-N 1 2 327.255 3.451 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2Cl)C1 ZINC001080487582 1357639779 /nfs/dbraw/zinc/63/97/79/1357639779.db2.gz CHIXZMRWYSVODF-IAQYHMDHSA-N 1 2 327.255 3.451 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001080587377 1357687541 /nfs/dbraw/zinc/68/75/41/1357687541.db2.gz LALZPYUWWYWJMQ-HVDRQEDPSA-N 1 2 336.838 3.118 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001080587377 1357687543 /nfs/dbraw/zinc/68/75/43/1357687543.db2.gz LALZPYUWWYWJMQ-HVDRQEDPSA-N 1 2 336.838 3.118 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001080594327 1357690701 /nfs/dbraw/zinc/69/07/01/1357690701.db2.gz MUDQTKNKBNCPBZ-BVPBIZIASA-N 1 2 332.875 3.288 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001080594327 1357690705 /nfs/dbraw/zinc/69/07/05/1357690705.db2.gz MUDQTKNKBNCPBZ-BVPBIZIASA-N 1 2 332.875 3.288 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]2CN(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001067795561 1353527764 /nfs/dbraw/zinc/52/77/64/1353527764.db2.gz HZYPIBVGTVUZOB-KRWDZBQOSA-N 1 2 342.487 3.185 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CCC(C)=C(C)C3)c2C1 ZINC001069861546 1354290458 /nfs/dbraw/zinc/29/04/58/1354290458.db2.gz VWQUVTYQBXWFES-KRWDZBQOSA-N 1 2 342.487 3.028 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CCC(C)=C(C)C3)c2C1 ZINC001069861546 1354290459 /nfs/dbraw/zinc/29/04/59/1354290459.db2.gz VWQUVTYQBXWFES-KRWDZBQOSA-N 1 2 342.487 3.028 20 30 EGEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC001085966095 1358924395 /nfs/dbraw/zinc/92/43/95/1358924395.db2.gz ANZLEYPJIRERQB-GOEBONIOSA-N 1 2 330.497 3.043 20 30 EGEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC001085966095 1358924397 /nfs/dbraw/zinc/92/43/97/1358924397.db2.gz ANZLEYPJIRERQB-GOEBONIOSA-N 1 2 330.497 3.043 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)c2cccs2)C[N@@H+]1CC#Cc1ccccc1 ZINC001071327067 1354591268 /nfs/dbraw/zinc/59/12/68/1354591268.db2.gz JTOVEUIAXRYOQD-FUHWJXTLSA-N 1 2 338.476 3.383 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)c2cccs2)C[N@H+]1CC#Cc1ccccc1 ZINC001071327067 1354591272 /nfs/dbraw/zinc/59/12/72/1354591272.db2.gz JTOVEUIAXRYOQD-FUHWJXTLSA-N 1 2 338.476 3.383 20 30 EGEDLO Cc1ccoc1C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001071351880 1354620696 /nfs/dbraw/zinc/62/06/96/1354620696.db2.gz JLPSJSKJIMRNAQ-QAPCUYQASA-N 1 2 337.423 3.243 20 30 EGEDLO Cc1ccoc1C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001071351880 1354620700 /nfs/dbraw/zinc/62/07/00/1354620700.db2.gz JLPSJSKJIMRNAQ-QAPCUYQASA-N 1 2 337.423 3.243 20 30 EGEDLO Cc1ccoc1C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC#Cc2ccccc2)C1 ZINC001071352084 1354620749 /nfs/dbraw/zinc/62/07/49/1354620749.db2.gz MUPWRRXETLCFMP-MJGOQNOKSA-N 1 2 336.435 3.222 20 30 EGEDLO Cc1ccoc1C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC#Cc2ccccc2)C1 ZINC001071352084 1354620755 /nfs/dbraw/zinc/62/07/55/1354620755.db2.gz MUPWRRXETLCFMP-MJGOQNOKSA-N 1 2 336.435 3.222 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2nc(C)sc2C)CC[C@@H]1C ZINC001071608743 1354794350 /nfs/dbraw/zinc/79/43/50/1354794350.db2.gz DVCAPJHXJCADQF-SMDDNHRTSA-N 1 2 341.908 3.024 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2nc(C)sc2C)CC[C@@H]1C ZINC001071608743 1354794352 /nfs/dbraw/zinc/79/43/52/1354794352.db2.gz DVCAPJHXJCADQF-SMDDNHRTSA-N 1 2 341.908 3.024 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC23CC3)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088880865 1360088212 /nfs/dbraw/zinc/08/82/12/1360088212.db2.gz SUCLACVQRWHBHY-HFTRVMKXSA-N 1 2 342.870 3.071 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC23CC3)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088880865 1360088213 /nfs/dbraw/zinc/08/82/13/1360088213.db2.gz SUCLACVQRWHBHY-HFTRVMKXSA-N 1 2 342.870 3.071 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc(C(C)C)on2)CC[C@H]1C ZINC001071705264 1354863800 /nfs/dbraw/zinc/86/38/00/1354863800.db2.gz MSQVQGPJXXHXRI-OLZOCXBDSA-N 1 2 325.840 3.133 20 30 EGEDLO 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/nfs/dbraw/zinc/11/21/57/1355112157.db2.gz SQPJKJDJCCMVOC-BEFAXECRSA-N 1 2 346.902 3.439 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2-c2ccco2)CC[C@@H]1C ZINC001072096434 1355127516 /nfs/dbraw/zinc/12/75/16/1355127516.db2.gz ZPITXJBUHYRFHK-STQMWFEESA-N 1 2 348.834 3.005 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2-c2ccco2)CC[C@@H]1C ZINC001072096434 1355127517 /nfs/dbraw/zinc/12/75/17/1355127517.db2.gz ZPITXJBUHYRFHK-STQMWFEESA-N 1 2 348.834 3.005 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[N@H+](CC(=C)Br)C2 ZINC001072944790 1355512785 /nfs/dbraw/zinc/51/27/85/1355512785.db2.gz LEARTDZEYXHWTO-HNNXBMFYSA-N 1 2 341.293 3.032 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+](CC(=C)Br)C2 ZINC001072944790 1355512788 /nfs/dbraw/zinc/51/27/88/1355512788.db2.gz LEARTDZEYXHWTO-HNNXBMFYSA-N 1 2 341.293 3.032 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096162417 1362409695 /nfs/dbraw/zinc/40/96/95/1362409695.db2.gz KYGVTKXSQVYYHH-KRWDZBQOSA-N 1 2 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ZINC001076465483 1356585022 /nfs/dbraw/zinc/58/50/22/1356585022.db2.gz HWPIFKZUIVBXRI-LSDHHAIUSA-N 1 2 336.863 3.303 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(CC)c(CC)o3)[C@@H]2C1 ZINC001076465483 1356585027 /nfs/dbraw/zinc/58/50/27/1356585027.db2.gz HWPIFKZUIVBXRI-LSDHHAIUSA-N 1 2 336.863 3.303 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccsc2C(F)F)C1 ZINC001080863560 1357753936 /nfs/dbraw/zinc/75/39/36/1357753936.db2.gz TVWXMYOWSDKPTE-LDYMZIIASA-N 1 2 334.819 3.488 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccsc2C(F)F)C1 ZINC001080863560 1357753939 /nfs/dbraw/zinc/75/39/39/1357753939.db2.gz TVWXMYOWSDKPTE-LDYMZIIASA-N 1 2 334.819 3.488 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CCc3ccccc3C2)C1 ZINC001081070847 1357811608 /nfs/dbraw/zinc/81/16/08/1357811608.db2.gz CDHXWZMFTGHWGA-LXGCGDOSSA-N 1 2 346.902 3.371 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CCc3ccccc3C2)C1 ZINC001081070847 1357811617 /nfs/dbraw/zinc/81/16/17/1357811617.db2.gz CDHXWZMFTGHWGA-LXGCGDOSSA-N 1 2 346.902 3.371 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(F)cc3)[C@@H]2C1 ZINC001084153785 1358144530 /nfs/dbraw/zinc/14/45/30/1358144530.db2.gz PQGBFNXEYNOVMP-UYAOXDASSA-N 1 2 349.409 3.044 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(F)cc3)[C@@H]2C1 ZINC001084153785 1358144533 /nfs/dbraw/zinc/14/45/33/1358144533.db2.gz PQGBFNXEYNOVMP-UYAOXDASSA-N 1 2 349.409 3.044 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@]3(C)c3ccccc3)[C@@H]2C1 ZINC001084533427 1358233491 /nfs/dbraw/zinc/23/34/91/1358233491.db2.gz OATONKDEQUFJEW-MJKGWSOKSA-N 1 2 344.886 3.249 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@]3(C)c3ccccc3)[C@@H]2C1 ZINC001084533427 1358233495 /nfs/dbraw/zinc/23/34/95/1358233495.db2.gz OATONKDEQUFJEW-MJKGWSOKSA-N 1 2 344.886 3.249 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(Cl)nc3)C[C@H]21 ZINC001084571331 1358240130 /nfs/dbraw/zinc/24/01/30/1358240130.db2.gz RCCQARBBDIQOCJ-HZPDHXFCSA-N 1 2 347.890 3.370 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(Cl)nc3)C[C@H]21 ZINC001084571331 1358240133 /nfs/dbraw/zinc/24/01/33/1358240133.db2.gz RCCQARBBDIQOCJ-HZPDHXFCSA-N 1 2 347.890 3.370 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(O)ccc3Cl)C[C@H]21 ZINC001084577935 1358241508 /nfs/dbraw/zinc/24/15/08/1358241508.db2.gz BCDUWGIAUXMIRC-CXAGYDPISA-N 1 2 348.874 3.291 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(O)ccc3Cl)C[C@H]21 ZINC001084577935 1358241511 /nfs/dbraw/zinc/24/15/11/1358241511.db2.gz BCDUWGIAUXMIRC-CXAGYDPISA-N 1 2 348.874 3.291 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(Cl)nc3)C[C@H]21 ZINC001084630624 1358260728 /nfs/dbraw/zinc/26/07/28/1358260728.db2.gz NIQKUNGPECLGHZ-MDZRGWNJSA-N 1 2 347.890 3.370 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(Cl)nc3)C[C@H]21 ZINC001084630624 1358260732 /nfs/dbraw/zinc/26/07/32/1358260732.db2.gz NIQKUNGPECLGHZ-MDZRGWNJSA-N 1 2 347.890 3.370 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](Cc3nc(C)c(C)s3)C[C@H]21 ZINC001084630620 1358261165 /nfs/dbraw/zinc/26/11/65/1358261165.db2.gz NFFBMVHUWOJXQO-GPMSIDNRSA-N 1 2 347.528 3.395 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](Cc3nc(C)c(C)s3)C[C@H]21 ZINC001084630620 1358261167 /nfs/dbraw/zinc/26/11/67/1358261167.db2.gz NFFBMVHUWOJXQO-GPMSIDNRSA-N 1 2 347.528 3.395 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3CCC(C(F)F)CC3)[C@@H]2C1 ZINC001084803429 1358314378 /nfs/dbraw/zinc/31/43/78/1358314378.db2.gz WQCLARVHESRFCU-NEXFUWMNSA-N 1 2 346.849 3.343 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CCC(C(F)F)CC3)[C@@H]2C1 ZINC001084803429 1358314380 /nfs/dbraw/zinc/31/43/80/1358314380.db2.gz WQCLARVHESRFCU-NEXFUWMNSA-N 1 2 346.849 3.343 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Oc3ccc(C)cc3)[C@@H]2C1 ZINC001084816069 1358319401 /nfs/dbraw/zinc/31/94/01/1358319401.db2.gz MLBFKUCKWWAVBM-LZLYRXPVSA-N 1 2 348.874 3.048 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Oc3ccc(C)cc3)[C@@H]2C1 ZINC001084816069 1358319405 /nfs/dbraw/zinc/31/94/05/1358319405.db2.gz MLBFKUCKWWAVBM-LZLYRXPVSA-N 1 2 348.874 3.048 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc4c(c3)CCC4)[C@@H]2C1 ZINC001084825648 1358321540 /nfs/dbraw/zinc/32/15/40/1358321540.db2.gz NFRNZKGASFGBTE-RTBURBONSA-N 1 2 344.886 3.003 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc4c(c3)CCC4)[C@@H]2C1 ZINC001084825648 1358321545 /nfs/dbraw/zinc/32/15/45/1358321545.db2.gz NFRNZKGASFGBTE-RTBURBONSA-N 1 2 344.886 3.003 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Cc3ccccc3C)[C@@H]2C1 ZINC001084858447 1358331709 /nfs/dbraw/zinc/33/17/09/1358331709.db2.gz CSARLODICQERLL-ATZDWAIDSA-N 1 2 346.902 3.459 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Cc3ccccc3C)[C@@H]2C1 ZINC001084858447 1358331710 /nfs/dbraw/zinc/33/17/10/1358331710.db2.gz CSARLODICQERLL-ATZDWAIDSA-N 1 2 346.902 3.459 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)c1ccsc1 ZINC001085474374 1358526134 /nfs/dbraw/zinc/52/61/34/1358526134.db2.gz AFTDWHUNIMCSIN-ZDUSSCGKSA-N 1 2 331.466 3.028 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)c1ccsc1 ZINC001085474374 1358526136 /nfs/dbraw/zinc/52/61/36/1358526136.db2.gz AFTDWHUNIMCSIN-ZDUSSCGKSA-N 1 2 331.466 3.028 20 30 EGEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183748065 1387341441 /nfs/dbraw/zinc/34/14/41/1387341441.db2.gz NMSADUJOFPNXRL-KRWDZBQOSA-N 1 2 336.439 3.328 20 30 EGEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001183748065 1387341445 /nfs/dbraw/zinc/34/14/45/1387341445.db2.gz NMSADUJOFPNXRL-KRWDZBQOSA-N 1 2 336.439 3.328 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1CCCC12CC2 ZINC001085667433 1358671304 /nfs/dbraw/zinc/67/13/04/1358671304.db2.gz HWGJPDSVMJCXHV-YOEHRIQHSA-N 1 2 343.496 3.233 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1CCCC12CC2 ZINC001085667433 1358671305 /nfs/dbraw/zinc/67/13/05/1358671305.db2.gz HWGJPDSVMJCXHV-YOEHRIQHSA-N 1 2 343.496 3.233 20 30 EGEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1sc2ccccc2c1C ZINC001085709412 1358701638 /nfs/dbraw/zinc/70/16/38/1358701638.db2.gz HBKFZHHKEHBZKU-OAHLLOKOSA-N 1 2 326.465 3.379 20 30 EGEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1sc2ccccc2c1C ZINC001085709412 1358701640 /nfs/dbraw/zinc/70/16/40/1358701640.db2.gz HBKFZHHKEHBZKU-OAHLLOKOSA-N 1 2 326.465 3.379 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1CCCC1(C)C ZINC001085771830 1358744294 /nfs/dbraw/zinc/74/42/94/1358744294.db2.gz KVSHPZCPKQWRCO-PMACEKPBSA-N 1 2 338.495 3.397 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1CCCC1(C)C ZINC001085771830 1358744300 /nfs/dbraw/zinc/74/43/00/1358744300.db2.gz KVSHPZCPKQWRCO-PMACEKPBSA-N 1 2 338.495 3.397 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)C1CCC(F)CC1 ZINC001085801226 1358776247 /nfs/dbraw/zinc/77/62/47/1358776247.db2.gz MWJLHBPMYRYDIW-MHJFOBGBSA-N 1 2 342.458 3.099 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)C1CCC(F)CC1 ZINC001085801226 1358776250 /nfs/dbraw/zinc/77/62/50/1358776250.db2.gz MWJLHBPMYRYDIW-MHJFOBGBSA-N 1 2 342.458 3.099 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001085867239 1358833355 /nfs/dbraw/zinc/83/33/55/1358833355.db2.gz GYFCMTSLNNSDQM-QHAWAJNXSA-N 1 2 336.479 3.007 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001085867239 1358833361 /nfs/dbraw/zinc/83/33/61/1358833361.db2.gz GYFCMTSLNNSDQM-QHAWAJNXSA-N 1 2 336.479 3.007 20 30 EGEDLO Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)cc1 ZINC001085940666 1358898351 /nfs/dbraw/zinc/89/83/51/1358898351.db2.gz MACBYCXBSOQTCS-INIZCTEOSA-N 1 2 339.464 3.275 20 30 EGEDLO Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)cc1 ZINC001085940666 1358898354 /nfs/dbraw/zinc/89/83/54/1358898354.db2.gz MACBYCXBSOQTCS-INIZCTEOSA-N 1 2 339.464 3.275 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccccn2)C1 ZINC001086571436 1359151000 /nfs/dbraw/zinc/15/10/00/1359151000.db2.gz VWXCPNVCHTVKKR-FUHWJXTLSA-N 1 2 341.842 3.032 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccccn2)C1 ZINC001086571436 1359151002 /nfs/dbraw/zinc/15/10/02/1359151002.db2.gz VWXCPNVCHTVKKR-FUHWJXTLSA-N 1 2 341.842 3.032 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C)C2CC2)C1 ZINC001086581379 1359154723 /nfs/dbraw/zinc/15/47/23/1359154723.db2.gz WOSUPKKDXXJWNF-FHLIZLRMSA-N 1 2 332.875 3.369 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C)C2CC2)C1 ZINC001086581379 1359154727 /nfs/dbraw/zinc/15/47/27/1359154727.db2.gz WOSUPKKDXXJWNF-FHLIZLRMSA-N 1 2 332.875 3.369 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)C(C)C)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001087503284 1359500853 /nfs/dbraw/zinc/50/08/53/1359500853.db2.gz ACCOZIAOELGBOQ-ZWKOTPCHSA-N 1 2 332.875 3.317 20 30 EGEDLO CC[C@@H]1[C@@H](NC(=O)C(C)C)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001087503284 1359500857 /nfs/dbraw/zinc/50/08/57/1359500857.db2.gz ACCOZIAOELGBOQ-ZWKOTPCHSA-N 1 2 332.875 3.317 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cocc2C)[C@H]1CC ZINC001087687524 1359589807 /nfs/dbraw/zinc/58/98/07/1359589807.db2.gz IBEHEWPGCJIAFC-UONOGXRCSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cocc2C)[C@H]1CC ZINC001087687524 1359589808 /nfs/dbraw/zinc/58/98/08/1359589808.db2.gz IBEHEWPGCJIAFC-UONOGXRCSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCCCC[C@@H]([NH2+][C@@H](C)c3noc(C)n3)C2)C1 ZINC001088379042 1359862738 /nfs/dbraw/zinc/86/27/38/1359862738.db2.gz YMDFVNYWNRYTHS-GOEBONIOSA-N 1 2 346.475 3.156 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ocnc2-c2ccccc2)[C@H]1C ZINC001088611297 1359991212 /nfs/dbraw/zinc/99/12/12/1359991212.db2.gz JXIDKYCAFIHJGW-HIFRSBDPSA-N 1 2 345.830 3.287 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ocnc2-c2ccccc2)[C@H]1C ZINC001088611297 1359991215 /nfs/dbraw/zinc/99/12/15/1359991215.db2.gz JXIDKYCAFIHJGW-HIFRSBDPSA-N 1 2 345.830 3.287 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3ccc(OC)cc32)[C@H]1C ZINC001088627881 1359996393 /nfs/dbraw/zinc/99/63/93/1359996393.db2.gz LOYBCDFJRJKYFS-SKDZVZGDSA-N 1 2 348.874 3.057 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3ccc(OC)cc32)[C@H]1C ZINC001088627881 1359996394 /nfs/dbraw/zinc/99/63/94/1359996394.db2.gz LOYBCDFJRJKYFS-SKDZVZGDSA-N 1 2 348.874 3.057 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(-c3cnco3)cc2)[C@H]1C ZINC001088665683 1360007258 /nfs/dbraw/zinc/00/72/58/1360007258.db2.gz HFEYWHVNEHNAMU-CJNGLKHVSA-N 1 2 345.830 3.287 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3cnco3)cc2)[C@H]1C ZINC001088665683 1360007264 /nfs/dbraw/zinc/00/72/64/1360007264.db2.gz HFEYWHVNEHNAMU-CJNGLKHVSA-N 1 2 345.830 3.287 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2([C@@H]3CCCCO3)CCC2)[C@H]1C ZINC001088740608 1360027259 /nfs/dbraw/zinc/02/72/59/1360027259.db2.gz GJIMRBGQGMNYTG-PMPSAXMXSA-N 1 2 340.895 3.057 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2([C@@H]3CCCCO3)CCC2)[C@H]1C ZINC001088740608 1360027262 /nfs/dbraw/zinc/02/72/62/1360027262.db2.gz GJIMRBGQGMNYTG-PMPSAXMXSA-N 1 2 340.895 3.057 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3cc(F)ccc32)[C@H]1C ZINC001088751321 1360030549 /nfs/dbraw/zinc/03/05/49/1360030549.db2.gz JTCYIDJGMXADEI-JLZZUVOBSA-N 1 2 336.838 3.187 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3cc(F)ccc32)[C@H]1C ZINC001088751321 1360030553 /nfs/dbraw/zinc/03/05/53/1360030553.db2.gz JTCYIDJGMXADEI-JLZZUVOBSA-N 1 2 336.838 3.187 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(F)(F)F)nc2)[C@H]1C ZINC001088781881 1360042295 /nfs/dbraw/zinc/04/22/95/1360042295.db2.gz MXLUPFVUENHWEI-PWSUYJOCSA-N 1 2 347.768 3.046 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(F)(F)F)nc2)[C@H]1C ZINC001088781881 1360042297 /nfs/dbraw/zinc/04/22/97/1360042297.db2.gz MXLUPFVUENHWEI-PWSUYJOCSA-N 1 2 347.768 3.046 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(Cl)cncc2Cl)[C@H]1C ZINC001088836729 1360071805 /nfs/dbraw/zinc/07/18/05/1360071805.db2.gz STNBEAGTCIXUHK-SKDRFNHKSA-N 1 2 348.661 3.334 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(Cl)cncc2Cl)[C@H]1C ZINC001088836729 1360071808 /nfs/dbraw/zinc/07/18/08/1360071808.db2.gz STNBEAGTCIXUHK-SKDRFNHKSA-N 1 2 348.661 3.334 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](C)N(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001089129102 1360191001 /nfs/dbraw/zinc/19/10/01/1360191001.db2.gz LQHRPTFAAVDZLW-HZPDHXFCSA-N 1 2 330.476 3.348 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H](C)N(CC)c1nc(C)[nH+]c(C)c1C ZINC001089695976 1360600320 /nfs/dbraw/zinc/60/03/20/1360600320.db2.gz WNYKEVOXKYSRJZ-CYBMUJFWSA-N 1 2 332.492 3.335 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)[C@](C)(CNc2cc[nH+]c(C)n2)C1 ZINC001090258482 1360876201 /nfs/dbraw/zinc/87/62/01/1360876201.db2.gz RPDUJCPGYGKQJQ-QMTMVMCOSA-N 1 2 330.476 3.284 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H](Nc2cc[nH+]c(C)n2)C12CCC2 ZINC001090612151 1360910612 /nfs/dbraw/zinc/91/06/12/1360910612.db2.gz GPCGDMRFQHIXLP-DLBZAZTESA-N 1 2 340.471 3.393 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H](Nc2cc[nH+]c(C)n2)C12CCC2 ZINC001090613605 1360911384 /nfs/dbraw/zinc/91/13/84/1360911384.db2.gz OJASRYWALFNWOJ-LSDHHAIUSA-N 1 2 328.460 3.227 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001090828210 1360941292 /nfs/dbraw/zinc/94/12/92/1360941292.db2.gz PTKZDVPEXRJBEW-AKCHCHLHSA-N 1 2 344.503 3.452 20 30 EGEDLO C=CCCC(=O)N1C[C@@H](c2ccccc2)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001090852404 1360943399 /nfs/dbraw/zinc/94/33/99/1360943399.db2.gz DFOHIGZECLJVMN-ZWKOTPCHSA-N 1 2 336.439 3.158 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2CCCC[C@H]2Nc2cc[nH+]c(C)n2)CCC1 ZINC001091295329 1361035331 /nfs/dbraw/zinc/03/53/31/1361035331.db2.gz RRLIIQBXDWRRIE-HZPDHXFCSA-N 1 2 328.460 3.371 20 30 EGEDLO C#CCCCCC(=O)N1CCCCC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091913927 1361245899 /nfs/dbraw/zinc/24/58/99/1361245899.db2.gz PAUKBBNZHGSLIU-KRWDZBQOSA-N 1 2 328.460 3.162 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001093050948 1361516508 /nfs/dbraw/zinc/51/65/08/1361516508.db2.gz LXMPSSQSXVDQDL-OAGGEKHMSA-N 1 2 342.487 3.176 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC1(Nc2cc[nH+]c(C)n2)CCCCC1 ZINC001093402900 1361607352 /nfs/dbraw/zinc/60/73/52/1361607352.db2.gz UKBQUUPYHCYDFT-HUUCEWRRSA-N 1 2 330.476 3.474 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NC1CC2(C1)CC(Nc1cc[nH+]c(C)n1)C2 ZINC001093438879 1361623807 /nfs/dbraw/zinc/62/38/07/1361623807.db2.gz BOERCDVONAIAHB-UHFFFAOYSA-N 1 2 348.878 3.403 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCCC4(CC4)C3)CC2)C1 ZINC001093535920 1361636456 /nfs/dbraw/zinc/63/64/56/1361636456.db2.gz CHRLBCXBKLGDOD-QGZVFWFLSA-N 1 2 346.515 3.225 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[C@H]3CCC[C@@H]3C)CC2)C1 ZINC001093539039 1361637078 /nfs/dbraw/zinc/63/70/78/1361637078.db2.gz MMUXQZDLUVLLLB-DLBZAZTESA-N 1 2 334.504 3.081 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3CCCC[C@@H]3C3CC3)CC2)C1 ZINC001093553966 1361640721 /nfs/dbraw/zinc/64/07/21/1361640721.db2.gz ZPDFREARBLACOL-UXHICEINSA-N 1 2 346.515 3.081 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C3CCC4(CC4)CC3)CC2)C1 ZINC001093554489 1361640833 /nfs/dbraw/zinc/64/08/33/1361640833.db2.gz XKQCHLMEINCIFY-UHFFFAOYSA-N 1 2 346.515 3.225 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCCC[C@@H]3C3CC3)CC2)C1 ZINC001093553968 1361640854 /nfs/dbraw/zinc/64/08/54/1361640854.db2.gz ZPDFREARBLACOL-WOJBJXKFSA-N 1 2 346.515 3.081 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H](C)C3CCCC3)CC2)C1 ZINC001093590238 1361650691 /nfs/dbraw/zinc/65/06/91/1361650691.db2.gz JOACFRUUNSCWSD-INIZCTEOSA-N 1 2 334.504 3.081 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC001093600023 1361654456 /nfs/dbraw/zinc/65/44/56/1361654456.db2.gz LMGKRDLCQJSYGT-IRXDYDNUSA-N 1 2 334.504 3.081 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3ccc(C(C)C)s3)CC2)C1 ZINC001093600502 1361654884 /nfs/dbraw/zinc/65/48/84/1361654884.db2.gz ZEMZHDPDPUKDBS-UHFFFAOYSA-N 1 2 348.512 3.363 20 30 EGEDLO CC(C)(F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001095098600 1362012621 /nfs/dbraw/zinc/01/26/21/1362012621.db2.gz QDYYZPHNOJSROC-IKGGRYGDSA-N 1 2 348.849 3.161 20 30 EGEDLO CC(C)(F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001095098600 1362012622 /nfs/dbraw/zinc/01/26/22/1362012622.db2.gz QDYYZPHNOJSROC-IKGGRYGDSA-N 1 2 348.849 3.161 20 30 EGEDLO C#CCCCC(=O)N1CCC(Nc2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001095227208 1362059148 /nfs/dbraw/zinc/05/91/48/1362059148.db2.gz CPFZNKRZJCNIHJ-UHFFFAOYSA-N 1 2 328.460 3.115 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC2CCC2)C3)c(F)c1 ZINC001095268249 1362075591 /nfs/dbraw/zinc/07/55/91/1362075591.db2.gz XIKDDSGAMWZULD-NEWSRXKRSA-N 1 2 341.430 3.109 20 30 EGEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC2CCC2)C3)c(F)c1 ZINC001095268249 1362075593 /nfs/dbraw/zinc/07/55/93/1362075593.db2.gz XIKDDSGAMWZULD-NEWSRXKRSA-N 1 2 341.430 3.109 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)oc1C ZINC001095319647 1362098551 /nfs/dbraw/zinc/09/85/51/1362098551.db2.gz QCAQEWPVFPCDLE-AABGKKOBSA-N 1 2 348.446 3.283 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)oc1C ZINC001095319647 1362098554 /nfs/dbraw/zinc/09/85/54/1362098554.db2.gz QCAQEWPVFPCDLE-AABGKKOBSA-N 1 2 348.446 3.283 20 30 EGEDLO C=CC(C)(C)C(=O)NCC1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095373449 1362118828 /nfs/dbraw/zinc/11/88/28/1362118828.db2.gz LMXDVCQCLCETEK-UHFFFAOYSA-N 1 2 342.487 3.207 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NCCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001095712726 1362209728 /nfs/dbraw/zinc/20/97/28/1362209728.db2.gz WJFLNTXMAXDBGL-ZFWWWQNUSA-N 1 2 330.476 3.063 20 30 EGEDLO C=CCCC1(C(=O)NCCCN(C)c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095727801 1362214606 /nfs/dbraw/zinc/21/46/06/1362214606.db2.gz DXHQCUXLDZORAA-UHFFFAOYSA-N 1 2 342.487 3.351 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(OCC)c(C)c1)C2 ZINC001096095842 1362380890 /nfs/dbraw/zinc/38/08/90/1362380890.db2.gz PUHOAGAYNSRCQL-IKGGRYGDSA-N 1 2 348.874 3.481 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(OCC)c(C)c1)C2 ZINC001096095842 1362380891 /nfs/dbraw/zinc/38/08/91/1362380891.db2.gz PUHOAGAYNSRCQL-IKGGRYGDSA-N 1 2 348.874 3.481 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2cc3ccccc3[nH]2)c(C#N)c1C ZINC001324255881 1387571523 /nfs/dbraw/zinc/57/15/23/1387571523.db2.gz VDFDEIGOPQMPIQ-UHFFFAOYSA-N 1 2 336.395 3.320 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+](C)Cc2cc3ccccc3[nH]2)c(C#N)c1C ZINC001324255881 1387571524 /nfs/dbraw/zinc/57/15/24/1387571524.db2.gz VDFDEIGOPQMPIQ-UHFFFAOYSA-N 1 2 336.395 3.320 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(OCC)cc1)C2 ZINC001096487196 1362532527 /nfs/dbraw/zinc/53/25/27/1362532527.db2.gz DSRQVVJIZPWEBH-NJAFHUGGSA-N 1 2 348.874 3.102 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(OCC)cc1)C2 ZINC001096487196 1362532531 /nfs/dbraw/zinc/53/25/31/1362532531.db2.gz DSRQVVJIZPWEBH-NJAFHUGGSA-N 1 2 348.874 3.102 20 30 EGEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccccc2)C3)ccc1F ZINC001096744412 1362683149 /nfs/dbraw/zinc/68/31/49/1362683149.db2.gz WTRZYKQXLLWVHI-RLLQIKCJSA-N 1 2 349.409 3.233 20 30 EGEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccccc2)C3)ccc1F ZINC001096744412 1362683152 /nfs/dbraw/zinc/68/31/52/1362683152.db2.gz WTRZYKQXLLWVHI-RLLQIKCJSA-N 1 2 349.409 3.233 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H](Nc1nc(C)[nH+]c2c1CCCC2)C1CC1 ZINC001096784072 1362706981 /nfs/dbraw/zinc/70/69/81/1362706981.db2.gz UOBQJQBPNPHWCE-QGZVFWFLSA-N 1 2 342.487 3.183 20 30 EGEDLO C=CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]c(CC)n1 ZINC001097131871 1362857274 /nfs/dbraw/zinc/85/72/74/1362857274.db2.gz JGAZTWZIUQTPOE-ALOPSCKCSA-N 1 2 342.487 3.320 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3cc(C)cn3c1)C2 ZINC001097191977 1362880495 /nfs/dbraw/zinc/88/04/95/1362880495.db2.gz IZCNZPXTQYCNFV-KURKYZTESA-N 1 2 343.858 3.335 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3cc(C)cn3c1)C2 ZINC001097191977 1362880500 /nfs/dbraw/zinc/88/05/00/1362880500.db2.gz IZCNZPXTQYCNFV-KURKYZTESA-N 1 2 343.858 3.335 20 30 EGEDLO C=CCCC(=O)NC[C@H]1CCCCN1c1nc(C)[nH+]c2c1CCCC2 ZINC001097396982 1362971533 /nfs/dbraw/zinc/97/15/33/1362971533.db2.gz OVXMHFIJDHINLF-MRXNPFEDSA-N 1 2 342.487 3.105 20 30 EGEDLO C#CCCCC(=O)NC1CCC(Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001097626168 1363080277 /nfs/dbraw/zinc/08/02/77/1363080277.db2.gz ZCZGVFHAOKKXIZ-UHFFFAOYSA-N 1 2 340.471 3.305 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(CC)cc1)C2 ZINC001097942999 1363174034 /nfs/dbraw/zinc/17/40/34/1363174034.db2.gz QQSPJOFOZWEENQ-KURKYZTESA-N 1 2 332.875 3.266 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(CC)cc1)C2 ZINC001097942999 1363174037 /nfs/dbraw/zinc/17/40/37/1363174037.db2.gz QQSPJOFOZWEENQ-KURKYZTESA-N 1 2 332.875 3.266 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H](C)Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001098242670 1363266714 /nfs/dbraw/zinc/26/67/14/1363266714.db2.gz RFAJLPFZPDSUFX-CQSZACIVSA-N 1 2 342.487 3.327 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001098246065 1363268278 /nfs/dbraw/zinc/26/82/78/1363268278.db2.gz NZZZWKPUIGYOPP-CQSZACIVSA-N 1 2 328.460 3.325 20 30 EGEDLO C=CCC1(C(=O)NC[C@H](C)Nc2nc(C)[nH+]c3c2CCCC3)CCC1 ZINC001098246058 1363268335 /nfs/dbraw/zinc/26/83/35/1363268335.db2.gz NWVFDDJSEWHJJD-AWEZNQCLSA-N 1 2 342.487 3.327 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3oc(C)nc31)C2 ZINC001098477200 1363338691 /nfs/dbraw/zinc/33/86/91/1363338691.db2.gz FRSHEJJEGKWMSU-YUELXQCFSA-N 1 2 345.830 3.224 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3oc(C)nc31)C2 ZINC001098477200 1363338696 /nfs/dbraw/zinc/33/86/96/1363338696.db2.gz FRSHEJJEGKWMSU-YUELXQCFSA-N 1 2 345.830 3.224 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)OCC(C)C ZINC001098943982 1363532351 /nfs/dbraw/zinc/53/23/51/1363532351.db2.gz GRXKKVIPMAHGQG-HZPDHXFCSA-N 1 2 344.927 3.407 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)OCC(C)C ZINC001098943982 1363532347 /nfs/dbraw/zinc/53/23/47/1363532347.db2.gz GRXKKVIPMAHGQG-HZPDHXFCSA-N 1 2 344.927 3.407 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccc(F)cc1F ZINC001098977057 1363552365 /nfs/dbraw/zinc/55/23/65/1363552365.db2.gz ZRXIWNHJHMQOFV-XJKSGUPXSA-N 1 2 349.425 3.231 20 30 EGEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccc(F)cc1F ZINC001098977057 1363552368 /nfs/dbraw/zinc/55/23/68/1363552368.db2.gz ZRXIWNHJHMQOFV-XJKSGUPXSA-N 1 2 349.425 3.231 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1cccc(F)c1F ZINC001098984652 1363556084 /nfs/dbraw/zinc/55/60/84/1363556084.db2.gz YSWPPOHNBQZZPP-UKRRQHHQSA-N 1 2 349.425 3.231 20 30 EGEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1cccc(F)c1F ZINC001098984652 1363556088 /nfs/dbraw/zinc/55/60/88/1363556088.db2.gz YSWPPOHNBQZZPP-UKRRQHHQSA-N 1 2 349.425 3.231 20 30 EGEDLO Cc1conc1C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001099069643 1363605868 /nfs/dbraw/zinc/60/58/68/1363605868.db2.gz KLFOYXOXDHYVQU-MRXNPFEDSA-N 1 2 345.487 3.139 20 30 EGEDLO Cc1conc1C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001099069643 1363605872 /nfs/dbraw/zinc/60/58/72/1363605872.db2.gz KLFOYXOXDHYVQU-MRXNPFEDSA-N 1 2 345.487 3.139 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(COC)CCC1 ZINC001099139783 1363648870 /nfs/dbraw/zinc/64/88/70/1363648870.db2.gz HNPIQDUCCHYQFB-HNNXBMFYSA-N 1 2 342.911 3.162 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(COC)CCC1 ZINC001099139783 1363648876 /nfs/dbraw/zinc/64/88/76/1363648876.db2.gz HNPIQDUCCHYQFB-HNNXBMFYSA-N 1 2 342.911 3.162 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1cscn1 ZINC001099170673 1363668500 /nfs/dbraw/zinc/66/85/00/1363668500.db2.gz JUAJUTPLGBXNRW-OAHLLOKOSA-N 1 2 335.517 3.462 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1cscn1 ZINC001099170673 1363668501 /nfs/dbraw/zinc/66/85/01/1363668501.db2.gz JUAJUTPLGBXNRW-OAHLLOKOSA-N 1 2 335.517 3.462 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1cc(OC)no1 ZINC001099172115 1363670124 /nfs/dbraw/zinc/67/01/24/1363670124.db2.gz YGLXAVNATXBSGN-CQSZACIVSA-N 1 2 349.475 3.002 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1cc(OC)no1 ZINC001099172115 1363670126 /nfs/dbraw/zinc/67/01/26/1363670126.db2.gz YGLXAVNATXBSGN-CQSZACIVSA-N 1 2 349.475 3.002 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccn(C)n1 ZINC001099189681 1363682501 /nfs/dbraw/zinc/68/25/01/1363682501.db2.gz WCVKTXJFXRZELP-SJLPKXTDSA-N 1 2 346.519 3.129 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccn(C)n1 ZINC001099189681 1363682503 /nfs/dbraw/zinc/68/25/03/1363682503.db2.gz WCVKTXJFXRZELP-SJLPKXTDSA-N 1 2 346.519 3.129 20 30 EGEDLO CC#CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1coc(C)n1 ZINC001099189611 1363682554 /nfs/dbraw/zinc/68/25/54/1363682554.db2.gz UKHDVJXZNTZSJQ-GOSISDBHSA-N 1 2 345.487 3.283 20 30 EGEDLO CC#CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1coc(C)n1 ZINC001099189611 1363682555 /nfs/dbraw/zinc/68/25/55/1363682555.db2.gz UKHDVJXZNTZSJQ-GOSISDBHSA-N 1 2 345.487 3.283 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccn(CC)n1 ZINC001099203924 1363691102 /nfs/dbraw/zinc/69/11/02/1363691102.db2.gz TZMWLNQDKWAZSO-GOSISDBHSA-N 1 2 346.519 3.366 20 30 EGEDLO C=CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccn(CC)n1 ZINC001099203924 1363691108 /nfs/dbraw/zinc/69/11/08/1363691108.db2.gz TZMWLNQDKWAZSO-GOSISDBHSA-N 1 2 346.519 3.366 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2Cc2cnns2)C1 ZINC001099228873 1363701935 /nfs/dbraw/zinc/70/19/35/1363701935.db2.gz CHSDXJCESAJXML-CQSZACIVSA-N 1 2 348.516 3.001 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2Cc2cnns2)C1 ZINC001099228873 1363701939 /nfs/dbraw/zinc/70/19/39/1363701939.db2.gz CHSDXJCESAJXML-CQSZACIVSA-N 1 2 348.516 3.001 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nccn1C ZINC001099252059 1363714903 /nfs/dbraw/zinc/71/49/03/1363714903.db2.gz RHJVCEXKWOAPRL-MRXNPFEDSA-N 1 2 346.519 3.129 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nccn1C ZINC001099252059 1363714905 /nfs/dbraw/zinc/71/49/05/1363714905.db2.gz RHJVCEXKWOAPRL-MRXNPFEDSA-N 1 2 346.519 3.129 20 30 EGEDLO C#CCC1(C(=O)NCC[C@@H](C)Nc2cc[nH+]c(C)n2)CCCCC1 ZINC001099266311 1363722571 /nfs/dbraw/zinc/72/25/71/1363722571.db2.gz CQZJXSTYRRWDPP-OAHLLOKOSA-N 1 2 328.460 3.066 20 30 EGEDLO C#CCC1(C(=O)NCC[C@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001099558317 1363847386 /nfs/dbraw/zinc/84/73/86/1363847386.db2.gz HDHCNCVYPPHYFC-AWEZNQCLSA-N 1 2 340.471 3.163 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@H]1CCCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC001100886324 1364312408 /nfs/dbraw/zinc/31/24/08/1364312408.db2.gz GPQWHMQSNOBNQR-OAHLLOKOSA-N 1 2 330.476 3.206 20 30 EGEDLO C=CC(C)(C)C(=O)NCCN(CCC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001101220707 1364470764 /nfs/dbraw/zinc/47/07/64/1364470764.db2.gz OJVGGGWPSGKHJA-UHFFFAOYSA-N 1 2 330.476 3.207 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCN(c1nc(C)[nH+]c(C)c1C)C1CC1 ZINC001101393192 1364543340 /nfs/dbraw/zinc/54/33/40/1364543340.db2.gz AFKMPSVGBAOOMY-UHFFFAOYSA-N 1 2 330.476 3.089 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCN(c1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001101427270 1364558820 /nfs/dbraw/zinc/55/88/20/1364558820.db2.gz RYENSVLEONYRAD-UKRRQHHQSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)CCC[C@@H](C)CCC)c1nccn12 ZINC001101630336 1364662136 /nfs/dbraw/zinc/66/21/36/1364662136.db2.gz DYGGTHANLSQQHS-IRXDYDNUSA-N 1 2 344.503 3.248 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N(CCC)[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102256726 1364970158 /nfs/dbraw/zinc/97/01/58/1364970158.db2.gz CTBMFTSSOSGQGX-DLBZAZTESA-N 1 2 330.476 3.205 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC(CN(C)c2cc[nH+]c(C)n2)CC1 ZINC001102466857 1365071597 /nfs/dbraw/zinc/07/15/97/1365071597.db2.gz XSAPFQXEAVTVCC-MRXNPFEDSA-N 1 2 330.476 3.062 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CCCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102857466 1365255479 /nfs/dbraw/zinc/25/54/79/1365255479.db2.gz BDMJHOGOCHTILD-MRXNPFEDSA-N 1 2 328.460 3.104 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CCCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102876235 1365266556 /nfs/dbraw/zinc/26/65/56/1365266556.db2.gz PFHFTWOPEHIHAZ-KRWDZBQOSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CCCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102875880 1365266597 /nfs/dbraw/zinc/26/65/97/1365266597.db2.gz GZHWFVXHZQBECU-QGZVFWFLSA-N 1 2 342.487 3.494 20 30 EGEDLO C#CCCCCC(=O)NC[C@H](CC)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001103038197 1365349904 /nfs/dbraw/zinc/34/99/04/1365349904.db2.gz NMTZXFSRLQNAEZ-INIZCTEOSA-N 1 2 342.487 3.164 20 30 EGEDLO CC[C@H](CNC(=O)C#CC1CC1)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001103054501 1365357539 /nfs/dbraw/zinc/35/75/39/1365357539.db2.gz AXNMVNSONJYHFK-MRXNPFEDSA-N 1 2 342.487 3.444 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](CC)Nc2cc(C)[nH+]c(C(C)C)n2)CCC1 ZINC001103205370 1365434635 /nfs/dbraw/zinc/43/46/35/1365434635.db2.gz YRHOBYGYNUDYBK-MRXNPFEDSA-N 1 2 342.487 3.409 20 30 EGEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC001324707925 1387745957 /nfs/dbraw/zinc/74/59/57/1387745957.db2.gz RACIPBRXZYCFNG-NTMALXAHSA-N 1 2 335.407 3.273 20 30 EGEDLO C=CCCCC(=O)NCC[C@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001103770079 1365774996 /nfs/dbraw/zinc/77/49/96/1365774996.db2.gz HCJOFZWNVOQTKZ-QGZVFWFLSA-N 1 2 330.476 3.233 20 30 EGEDLO C=CCCC1(C(=O)NCC2(Nc3cc[nH+]c(C)n3)CCCC2)CC1 ZINC001104429337 1366024455 /nfs/dbraw/zinc/02/44/55/1366024455.db2.gz JUPWCXFOIINBGZ-UHFFFAOYSA-N 1 2 328.460 3.372 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H](C)CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001104805015 1366180963 /nfs/dbraw/zinc/18/09/63/1366180963.db2.gz OHYQLZRPOQHIDP-AWEZNQCLSA-N 1 2 342.487 3.279 20 30 EGEDLO C#CCCCCC(=O)N1CCC[C@@H](C)[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001105089787 1366320042 /nfs/dbraw/zinc/32/00/42/1366320042.db2.gz YTRFFJKOAYVBBE-WBVHZDCISA-N 1 2 328.460 3.018 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N(C)CCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001105536030 1366515978 /nfs/dbraw/zinc/51/59/78/1366515978.db2.gz JDDIJYHTFFWPDU-CQSZACIVSA-N 1 2 330.476 3.159 20 30 EGEDLO Cc1cc(NC[C@H]2CCC[C@@H]2NC(=O)C#CC(C)C)nc(C(C)C)[nH+]1 ZINC001105663632 1366563809 /nfs/dbraw/zinc/56/38/09/1366563809.db2.gz QUXXQNJPMKNIAQ-SJORKVTESA-N 1 2 342.487 3.265 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC001105689557 1366574814 /nfs/dbraw/zinc/57/48/14/1366574814.db2.gz QXIBNSDIQKWHBX-DLBZAZTESA-N 1 2 328.460 3.066 20 30 EGEDLO Cc1cc(NCC[C@H](C)NC(=O)C#CC(C)(C)C)nc(C(C)C)[nH+]1 ZINC001106303341 1366647575 /nfs/dbraw/zinc/64/75/75/1366647575.db2.gz PVGHWQZJRXUCPO-AWEZNQCLSA-N 1 2 330.476 3.265 20 30 EGEDLO C=CC[C@@H](C(=O)N[C@@H](C)CCNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001106349733 1366664445 /nfs/dbraw/zinc/66/44/45/1366664445.db2.gz VHZQYUSYMZJXPD-MAUKXSAKSA-N 1 2 338.455 3.452 20 30 EGEDLO C=C[C@H](CC(=O)N(CC)CCNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001106774953 1366794191 /nfs/dbraw/zinc/79/41/91/1366794191.db2.gz HGBSQUXOYOVHAE-QGZVFWFLSA-N 1 2 338.455 3.405 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NC/C=C/CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107462920 1366973433 /nfs/dbraw/zinc/97/34/33/1366973433.db2.gz ZRGHGRKFSIXFQG-VBROQKIQSA-N 1 2 328.460 3.349 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C(CC)CC)n2)C1 ZINC001189280251 1366975737 /nfs/dbraw/zinc/97/57/37/1366975737.db2.gz QFHQGNBJGFNXRV-GOSISDBHSA-N 1 2 332.492 3.243 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C(CC)CC)n2)C1 ZINC001189280251 1366975741 /nfs/dbraw/zinc/97/57/41/1366975741.db2.gz QFHQGNBJGFNXRV-GOSISDBHSA-N 1 2 332.492 3.243 20 30 EGEDLO CC/C(C)=C\C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109244898 1367022783 /nfs/dbraw/zinc/02/27/83/1367022783.db2.gz BJVVPSVBNQJAEY-FHWWDAIUSA-N 1 2 341.430 3.275 20 30 EGEDLO CC/C(C)=C\C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109244898 1367022786 /nfs/dbraw/zinc/02/27/86/1367022786.db2.gz BJVVPSVBNQJAEY-FHWWDAIUSA-N 1 2 341.430 3.275 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)OCCCCCC)C2 ZINC001109279638 1367037770 /nfs/dbraw/zinc/03/77/70/1367037770.db2.gz LUGNNEUDHXBGAS-NCOADZHNSA-N 1 2 342.911 3.446 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)OCCCCCC)C2 ZINC001109279638 1367037775 /nfs/dbraw/zinc/03/77/75/1367037775.db2.gz LUGNNEUDHXBGAS-NCOADZHNSA-N 1 2 342.911 3.446 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2c(F)cccc2F)C1 ZINC001189704664 1367090871 /nfs/dbraw/zinc/09/08/71/1367090871.db2.gz CSEOLZJOYUJCLO-OAHLLOKOSA-N 1 2 334.410 3.191 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2c(F)cccc2F)C1 ZINC001189704664 1367090874 /nfs/dbraw/zinc/09/08/74/1367090874.db2.gz CSEOLZJOYUJCLO-OAHLLOKOSA-N 1 2 334.410 3.191 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001109604360 1367227512 /nfs/dbraw/zinc/22/75/12/1367227512.db2.gz FOEFQNOSHRSTIV-IKGGRYGDSA-N 1 2 345.512 3.257 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001109604360 1367227516 /nfs/dbraw/zinc/22/75/16/1367227516.db2.gz FOEFQNOSHRSTIV-IKGGRYGDSA-N 1 2 345.512 3.257 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccccc2CC(C)(C)C)C1 ZINC001108018597 1367242296 /nfs/dbraw/zinc/24/22/96/1367242296.db2.gz KBQDRHVGUKRQMA-OAQYLSRUSA-N 1 2 344.499 3.282 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccccc2CC(C)(C)C)C1 ZINC001108018597 1367242298 /nfs/dbraw/zinc/24/22/98/1367242298.db2.gz KBQDRHVGUKRQMA-OAQYLSRUSA-N 1 2 344.499 3.282 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC001190387982 1367248670 /nfs/dbraw/zinc/24/86/70/1367248670.db2.gz JQVHGBUWGVPAJY-QGZVFWFLSA-N 1 2 332.492 3.099 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC001190387982 1367248674 /nfs/dbraw/zinc/24/86/74/1367248674.db2.gz JQVHGBUWGVPAJY-QGZVFWFLSA-N 1 2 332.492 3.099 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([N@H+](C)CC(=C)Br)C1 ZINC001190387797 1367248944 /nfs/dbraw/zinc/24/89/44/1367248944.db2.gz HVYOHYDZNFSPFJ-ZDUSSCGKSA-N 1 2 329.282 3.030 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([N@@H+](C)CC(=C)Br)C1 ZINC001190387797 1367248948 /nfs/dbraw/zinc/24/89/48/1367248948.db2.gz HVYOHYDZNFSPFJ-ZDUSSCGKSA-N 1 2 329.282 3.030 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@H](C)CNc2cc(C)[nH+]c(C(C)C)n2)cc1 ZINC001108041585 1367255818 /nfs/dbraw/zinc/25/58/18/1367255818.db2.gz XNPPWGBZRIJPOX-OAHLLOKOSA-N 1 2 336.439 3.120 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc3cc(Cl)ccc3o2)C1 ZINC001108060437 1367262879 /nfs/dbraw/zinc/26/28/79/1367262879.db2.gz XWFJDCADMMVUKI-GOSISDBHSA-N 1 2 348.830 3.093 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc3cc(Cl)ccc3o2)C1 ZINC001108060437 1367262886 /nfs/dbraw/zinc/26/28/86/1367262886.db2.gz XWFJDCADMMVUKI-GOSISDBHSA-N 1 2 348.830 3.093 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2nc(CCCC)no2)C1 ZINC001190436508 1367264822 /nfs/dbraw/zinc/26/48/22/1367264822.db2.gz VTRMAAUAIDQBQN-HOTGVXAUSA-N 1 2 348.491 3.362 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2nc(CCCC)no2)C1 ZINC001190436508 1367264827 /nfs/dbraw/zinc/26/48/27/1367264827.db2.gz VTRMAAUAIDQBQN-HOTGVXAUSA-N 1 2 348.491 3.362 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)CCCCCC)C1 ZINC001108120119 1367291178 /nfs/dbraw/zinc/29/11/78/1367291178.db2.gz WGIVOLWGNQPRRK-QUCCMNQESA-N 1 2 336.520 3.213 20 30 EGEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)CCCCCC)C1 ZINC001108120119 1367291183 /nfs/dbraw/zinc/29/11/83/1367291183.db2.gz WGIVOLWGNQPRRK-QUCCMNQESA-N 1 2 336.520 3.213 20 30 EGEDLO Cc1cc(NC[C@@H](NC(=O)C#CC(C)(C)C)C2CC2)nc(C2CC2)[nH+]1 ZINC001109843953 1367353404 /nfs/dbraw/zinc/35/34/04/1367353404.db2.gz FUEODJQVLGDPIH-MRXNPFEDSA-N 1 2 340.471 3.019 20 30 EGEDLO Cc1cc(NC[C@H](NC(=O)C#CC(C)(C)C)C2CC2)nc(C(C)C)[nH+]1 ZINC001109843840 1367353658 /nfs/dbraw/zinc/35/36/58/1367353658.db2.gz CJKILTJBLLIHHM-INIZCTEOSA-N 1 2 342.487 3.265 20 30 EGEDLO CCCCCCCCNC(=O)N1CC([NH+]2CCC(F)(F)CC2)C1 ZINC001191064292 1367414518 /nfs/dbraw/zinc/41/45/18/1367414518.db2.gz VNWYKXPXHBWBFP-UHFFFAOYSA-N 1 2 331.451 3.472 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H](CNc2cc(C)[nH+]c(C3CC3)n2)C2CC2)C1 ZINC001109969544 1367435740 /nfs/dbraw/zinc/43/57/40/1367435740.db2.gz YQBNUVCSEYZKJF-INIZCTEOSA-N 1 2 340.471 3.325 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001108766075 1367581965 /nfs/dbraw/zinc/58/19/65/1367581965.db2.gz RFEHNJXHHIPUHA-HNNXBMFYSA-N 1 2 341.459 3.126 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC1(Nc2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001110303130 1367624293 /nfs/dbraw/zinc/62/42/93/1367624293.db2.gz DDBZLWICGNCSTB-HIFRSBDPSA-N 1 2 330.476 3.427 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC=C(Cl)Cl ZINC001110366233 1367669483 /nfs/dbraw/zinc/66/94/83/1367669483.db2.gz MUCLFZGUXVNSJH-DGAVXFQQSA-N 1 2 347.286 3.008 20 30 EGEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(Cl)Cl ZINC001110366233 1367669487 /nfs/dbraw/zinc/66/94/87/1367669487.db2.gz MUCLFZGUXVNSJH-DGAVXFQQSA-N 1 2 347.286 3.008 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2nc(C(C)C)no2)C1 ZINC001192058788 1367676584 /nfs/dbraw/zinc/67/65/84/1367676584.db2.gz AZYLBGGWWSJTHP-LSDHHAIUSA-N 1 2 334.464 3.143 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2nc(C(C)C)no2)C1 ZINC001192058788 1367676588 /nfs/dbraw/zinc/67/65/88/1367676588.db2.gz AZYLBGGWWSJTHP-LSDHHAIUSA-N 1 2 334.464 3.143 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2csc(C3CC3)n2)C1 ZINC001192072508 1367681086 /nfs/dbraw/zinc/68/10/86/1367681086.db2.gz GIWMCHHFZZKDIT-INIZCTEOSA-N 1 2 333.501 3.410 20 30 EGEDLO C=CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2csc(C3CC3)n2)C1 ZINC001192072508 1367681092 /nfs/dbraw/zinc/68/10/92/1367681092.db2.gz GIWMCHHFZZKDIT-INIZCTEOSA-N 1 2 333.501 3.410 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2cnc(Cl)s2)C1 ZINC001192073852 1367681638 /nfs/dbraw/zinc/68/16/38/1367681638.db2.gz YDMGUKBAODFTHQ-GFCCVEGCSA-N 1 2 327.881 3.186 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cnc(Cl)s2)C1 ZINC001192073852 1367681644 /nfs/dbraw/zinc/68/16/44/1367681644.db2.gz YDMGUKBAODFTHQ-GFCCVEGCSA-N 1 2 327.881 3.186 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC2CC2)C3)c(F)c1 ZINC001110411068 1367699174 /nfs/dbraw/zinc/69/91/74/1367699174.db2.gz VFTCYTBTIRESJU-QRQLOZEOSA-N 1 2 341.430 3.109 20 30 EGEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC2CC2)C3)c(F)c1 ZINC001110411068 1367699176 /nfs/dbraw/zinc/69/91/76/1367699176.db2.gz VFTCYTBTIRESJU-QRQLOZEOSA-N 1 2 341.430 3.109 20 30 EGEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001110414037 1367704256 /nfs/dbraw/zinc/70/42/56/1367704256.db2.gz VTJIEEQBLOCUJO-QZTJIDSGSA-N 1 2 342.487 3.349 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3nc(C)c(C)o3)C2)CC1 ZINC001192181274 1367709565 /nfs/dbraw/zinc/70/95/65/1367709565.db2.gz UJOJAFCUTHGBLY-INIZCTEOSA-N 1 2 331.460 3.071 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3nc(C)c(C)o3)C2)CC1 ZINC001192181274 1367709573 /nfs/dbraw/zinc/70/95/73/1367709573.db2.gz UJOJAFCUTHGBLY-INIZCTEOSA-N 1 2 331.460 3.071 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3csc(C)n3)C2)CC1 ZINC001192217029 1367720254 /nfs/dbraw/zinc/72/02/54/1367720254.db2.gz BQGUOIZJPZJHGD-MRXNPFEDSA-N 1 2 333.501 3.231 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3csc(C)n3)C2)CC1 ZINC001192217029 1367720259 /nfs/dbraw/zinc/72/02/59/1367720259.db2.gz BQGUOIZJPZJHGD-MRXNPFEDSA-N 1 2 333.501 3.231 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H](C)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001109120862 1367781317 /nfs/dbraw/zinc/78/13/17/1367781317.db2.gz IPIYEJBBDIVOHD-OAHLLOKOSA-N 1 2 332.492 3.452 20 30 EGEDLO Cc1cc(N[C@H]2CCN(C(=O)C#CC(C)C)[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC001110512505 1367794904 /nfs/dbraw/zinc/79/49/04/1367794904.db2.gz JUSUGQKVQPARFA-WBVHZDCISA-N 1 2 340.471 3.113 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1F ZINC001110543595 1367820937 /nfs/dbraw/zinc/82/09/37/1367820937.db2.gz YZNAVPVXYMKAKO-NXHRZFHOSA-N 1 2 346.421 3.236 20 30 EGEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1F ZINC001110543595 1367820944 /nfs/dbraw/zinc/82/09/44/1367820944.db2.gz YZNAVPVXYMKAKO-NXHRZFHOSA-N 1 2 346.421 3.236 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2nc(C(C)C)no2)C1 ZINC001192576963 1367823289 /nfs/dbraw/zinc/82/32/89/1367823289.db2.gz BTQJNXBMXFIQBL-LSDHHAIUSA-N 1 2 348.491 3.389 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2nc(C(C)C)no2)C1 ZINC001192576963 1367823297 /nfs/dbraw/zinc/82/32/97/1367823297.db2.gz BTQJNXBMXFIQBL-LSDHHAIUSA-N 1 2 348.491 3.389 20 30 EGEDLO C=C(C)CCC(=O)N[C@@]1(C)CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001110793475 1367992411 /nfs/dbraw/zinc/99/24/11/1367992411.db2.gz DZRAETLGBOYWFB-IBGZPJMESA-N 1 2 330.476 3.350 20 30 EGEDLO C=CCCCC(=O)N[C@@]1(C)CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001110808754 1368003715 /nfs/dbraw/zinc/00/37/15/1368003715.db2.gz CVRONZIDBAOBIC-IBGZPJMESA-N 1 2 330.476 3.350 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C)n2)C1 ZINC001193630766 1368079335 /nfs/dbraw/zinc/07/93/35/1368079335.db2.gz NMIQWJMQIKNNTK-GOSISDBHSA-N 1 2 334.508 3.203 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C)n2)C1 ZINC001193630766 1368079340 /nfs/dbraw/zinc/07/93/40/1368079340.db2.gz NMIQWJMQIKNNTK-GOSISDBHSA-N 1 2 334.508 3.203 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC001110949308 1368116285 /nfs/dbraw/zinc/11/62/85/1368116285.db2.gz DWPWKFSOWUURHO-IBGZPJMESA-N 1 2 330.476 3.110 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001110953041 1368120057 /nfs/dbraw/zinc/12/00/57/1368120057.db2.gz VVFKMCDKIDPCFX-HXUWFJFHSA-N 1 2 344.503 3.337 20 30 EGEDLO CCCCCCCOC(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC001194005685 1368165760 /nfs/dbraw/zinc/16/57/60/1368165760.db2.gz XQWVDRPBKYMJAJ-UHFFFAOYSA-N 1 2 333.476 3.349 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1nc(C)[nH+]c(C)c1C)C2 ZINC001111161183 1368171410 /nfs/dbraw/zinc/17/14/10/1368171410.db2.gz WQZKSQHRAUQNJQ-BZSNNMDCSA-N 1 2 342.487 3.232 20 30 EGEDLO C#CCCCC(=O)N1CC[C@H]([C@@H](C)Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001111215651 1368194761 /nfs/dbraw/zinc/19/47/61/1368194761.db2.gz HCNNAHHTYRWWMZ-SJORKVTESA-N 1 2 342.487 3.361 20 30 EGEDLO C=C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl)c1ccccc1 ZINC001111443280 1368309315 /nfs/dbraw/zinc/30/93/15/1368309315.db2.gz FTYFHTHQYLYKMN-XDNAFOTISA-N 1 2 330.859 3.430 20 30 EGEDLO C=C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl)c1ccccc1 ZINC001111443280 1368309318 /nfs/dbraw/zinc/30/93/18/1368309318.db2.gz FTYFHTHQYLYKMN-XDNAFOTISA-N 1 2 330.859 3.430 20 30 EGEDLO CC/C=C(\C)C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001195078706 1368373008 /nfs/dbraw/zinc/37/30/08/1368373008.db2.gz CJJNQQQIPYOINS-PJQLUOCWSA-N 1 2 329.419 3.088 20 30 EGEDLO CC/C=C(\C)C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001195078706 1368373012 /nfs/dbraw/zinc/37/30/12/1368373012.db2.gz CJJNQQQIPYOINS-PJQLUOCWSA-N 1 2 329.419 3.088 20 30 EGEDLO CC(C)[C@@H](C)CC(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001195191090 1368396853 /nfs/dbraw/zinc/39/68/53/1368396853.db2.gz AXTVPEUFIXDDFT-INIZCTEOSA-N 1 2 345.462 3.414 20 30 EGEDLO CC(C)[C@@H](C)CC(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001195191090 1368396858 /nfs/dbraw/zinc/39/68/58/1368396858.db2.gz AXTVPEUFIXDDFT-INIZCTEOSA-N 1 2 345.462 3.414 20 30 EGEDLO C=CCCC(=O)N1CCC[N@@H+](Cc2ccc(OC)c(Cl)c2)CC1 ZINC001195192426 1368397329 /nfs/dbraw/zinc/39/73/29/1368397329.db2.gz YSOSTKRKNVICDT-UHFFFAOYSA-N 1 2 336.863 3.349 20 30 EGEDLO C=CCCC(=O)N1CCC[N@H+](Cc2ccc(OC)c(Cl)c2)CC1 ZINC001195192426 1368397333 /nfs/dbraw/zinc/39/73/33/1368397333.db2.gz YSOSTKRKNVICDT-UHFFFAOYSA-N 1 2 336.863 3.349 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](CNc2cc[nH+]c(C)n2)CC1 ZINC001111644672 1368407512 /nfs/dbraw/zinc/40/75/12/1368407512.db2.gz FSGVRUXBNOXNSJ-WKILWMFISA-N 1 2 330.476 3.474 20 30 EGEDLO COc1cc(Cl)ccc1C[N@@H+]1CCCN(C(=O)C#CC(C)C)CC1 ZINC001195775402 1368487785 /nfs/dbraw/zinc/48/77/85/1368487785.db2.gz ZMVMAPIUTZASLD-UHFFFAOYSA-N 1 2 348.874 3.042 20 30 EGEDLO COc1cc(Cl)ccc1C[N@H+]1CCCN(C(=O)C#CC(C)C)CC1 ZINC001195775402 1368487789 /nfs/dbraw/zinc/48/77/89/1368487789.db2.gz ZMVMAPIUTZASLD-UHFFFAOYSA-N 1 2 348.874 3.042 20 30 EGEDLO N#Cc1ccccc1NC(=S)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC001196319118 1368588215 /nfs/dbraw/zinc/58/82/15/1368588215.db2.gz WNYLGYVAUFGJLZ-INIZCTEOSA-N 1 2 338.436 3.193 20 30 EGEDLO CC(C)=C(C)CC(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001196782093 1368684108 /nfs/dbraw/zinc/68/41/08/1368684108.db2.gz IENCWTCMICXHBH-UHFFFAOYSA-N 1 2 342.458 3.458 20 30 EGEDLO CC(C)=C(C)CC(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001196782093 1368684112 /nfs/dbraw/zinc/68/41/12/1368684112.db2.gz IENCWTCMICXHBH-UHFFFAOYSA-N 1 2 342.458 3.458 20 30 EGEDLO CC#CCCCC(=O)N1CCC[N@H+](Cc2cccc(F)c2F)CC1 ZINC001196846876 1368696943 /nfs/dbraw/zinc/69/69/43/1368696943.db2.gz NRMKTWCMQQOYNQ-UHFFFAOYSA-N 1 2 334.410 3.193 20 30 EGEDLO CC#CCCCC(=O)N1CCC[N@@H+](Cc2cccc(F)c2F)CC1 ZINC001196846876 1368696946 /nfs/dbraw/zinc/69/69/46/1368696946.db2.gz NRMKTWCMQQOYNQ-UHFFFAOYSA-N 1 2 334.410 3.193 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@H+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC001196880939 1368705450 /nfs/dbraw/zinc/70/54/50/1368705450.db2.gz NIBFGVRLEHARFF-QGZVFWFLSA-N 1 2 346.519 3.275 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC001196880939 1368705454 /nfs/dbraw/zinc/70/54/54/1368705454.db2.gz NIBFGVRLEHARFF-QGZVFWFLSA-N 1 2 346.519 3.275 20 30 EGEDLO C=CCCC(=O)N1CCC[C@H]([C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001112202088 1368711510 /nfs/dbraw/zinc/71/15/10/1368711510.db2.gz GBPNBIVJIFXHGM-MSOLQXFVSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001197291916 1368780889 /nfs/dbraw/zinc/78/08/89/1368780889.db2.gz PTUYVQZRQRNGMY-UHFFFAOYSA-N 1 2 325.456 3.195 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001197291916 1368780892 /nfs/dbraw/zinc/78/08/92/1368780892.db2.gz PTUYVQZRQRNGMY-UHFFFAOYSA-N 1 2 325.456 3.195 20 30 EGEDLO CC[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001197586211 1368846379 /nfs/dbraw/zinc/84/63/79/1368846379.db2.gz CUCSLORLFXXIEY-GJZGRUSLSA-N 1 2 333.501 3.336 20 30 EGEDLO CC[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001197586211 1368846381 /nfs/dbraw/zinc/84/63/81/1368846381.db2.gz CUCSLORLFXXIEY-GJZGRUSLSA-N 1 2 333.501 3.336 20 30 EGEDLO CC[C@@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001197587434 1368846639 /nfs/dbraw/zinc/84/66/39/1368846639.db2.gz QVQSEGIFAWHDKQ-HZPDHXFCSA-N 1 2 345.462 3.414 20 30 EGEDLO CC[C@@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001197587434 1368846644 /nfs/dbraw/zinc/84/66/44/1368846644.db2.gz QVQSEGIFAWHDKQ-HZPDHXFCSA-N 1 2 345.462 3.414 20 30 EGEDLO CC(C)C[C@@H](C)C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC001197595636 1368848697 /nfs/dbraw/zinc/84/86/97/1368848697.db2.gz BEWQLIXFWWXLCY-LJQANCHMSA-N 1 2 326.484 3.255 20 30 EGEDLO CC(C)C[C@@H](C)C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001197595636 1368848702 /nfs/dbraw/zinc/84/87/02/1368848702.db2.gz BEWQLIXFWWXLCY-LJQANCHMSA-N 1 2 326.484 3.255 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)[C@@H](C)C1 ZINC001112472434 1368871950 /nfs/dbraw/zinc/87/19/50/1368871950.db2.gz WXNQWUFMCOHDFQ-IRXDYDNUSA-N 1 2 342.487 3.185 20 30 EGEDLO Cc1cc(N2CC[C@@H](NC(=O)C#CC(C)C)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC001112476103 1368874718 /nfs/dbraw/zinc/87/47/18/1368874718.db2.gz DZWYJTWKCGWEFD-DLBZAZTESA-N 1 2 342.487 3.041 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H](CC)CC(F)(F)F)CC1 ZINC001197850887 1368912949 /nfs/dbraw/zinc/91/29/49/1368912949.db2.gz ZPIPIGYVAYANQD-GFCCVEGCSA-N 1 2 326.790 3.252 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H](CC)CC(F)(F)F)CC1 ZINC001197850887 1368912955 /nfs/dbraw/zinc/91/29/55/1368912955.db2.gz ZPIPIGYVAYANQD-GFCCVEGCSA-N 1 2 326.790 3.252 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)/C=C\C1CC1)c1ccccc1OC ZINC001198634912 1369078132 /nfs/dbraw/zinc/07/81/32/1369078132.db2.gz AQVGCABRMFLSIT-YDZSZYSISA-N 1 2 334.847 3.161 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[NH+](CCOc2cccc(C)c2)CC1 ZINC001112898000 1369078509 /nfs/dbraw/zinc/07/85/09/1369078509.db2.gz FEDKARMURVVZHU-UHFFFAOYSA-N 1 2 330.472 3.120 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[NH+](CCOc2ccc(C)cc2)CC1 ZINC001112898203 1369079314 /nfs/dbraw/zinc/07/93/14/1369079314.db2.gz JPDUXBNYYPWPIS-UHFFFAOYSA-N 1 2 330.472 3.120 20 30 EGEDLO C=C(C)CCC(=O)N1CC[NH+](CCOc2cccc(CC)c2)CC1 ZINC001112904197 1369082760 /nfs/dbraw/zinc/08/27/60/1369082760.db2.gz JPSIZBPGNVWTSI-UHFFFAOYSA-N 1 2 330.472 3.128 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)C=C1CCC1)c1ccccc1OC ZINC001198657244 1369084553 /nfs/dbraw/zinc/08/45/53/1369084553.db2.gz RZDMREVCHFQHEB-MRXNPFEDSA-N 1 2 334.847 3.305 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2F)CC1)OCC ZINC001112909328 1369086180 /nfs/dbraw/zinc/08/61/80/1369086180.db2.gz OJNDTNVXWQJFKX-QFBILLFUSA-N 1 2 348.462 3.402 20 30 EGEDLO C#CCC1(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)CCC1 ZINC001112951720 1369106101 /nfs/dbraw/zinc/10/61/01/1369106101.db2.gz XEBDFVOZIBEBKK-INIZCTEOSA-N 1 2 328.431 3.225 20 30 EGEDLO C#CCCCCC(=O)N[C@@H](C)[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001112973532 1369118626 /nfs/dbraw/zinc/11/86/26/1369118626.db2.gz LPSHSCOSIYGDKC-HOTGVXAUSA-N 1 2 330.476 3.407 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC[NH+](CCOC2CCCCCC2)CC1 ZINC001113228932 1369276752 /nfs/dbraw/zinc/27/67/52/1369276752.db2.gz AAIXIZHORWSUBT-QZTJIDSGSA-N 1 2 336.520 3.328 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC[NH+](CCOc2cccc(CC)c2)CC1 ZINC001113229606 1369277388 /nfs/dbraw/zinc/27/73/88/1369277388.db2.gz MWDUCQUCHYAYSK-ZWKOTPCHSA-N 1 2 344.499 3.230 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[NH+](CCOc2cccc(CC)c2)CC1 ZINC001113248436 1369290602 /nfs/dbraw/zinc/29/06/02/1369290602.db2.gz ZEXYWFDVSYAKBZ-SFHVURJKSA-N 1 2 344.499 3.374 20 30 EGEDLO CC#CCCCC(=O)N[C@H](C)[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001113261668 1369298177 /nfs/dbraw/zinc/29/81/77/1369298177.db2.gz HRGATINQLGQQIS-JKSUJKDBSA-N 1 2 330.476 3.407 20 30 EGEDLO CC#CCCCC(=O)N[C@H](C)[C@@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001113261667 1369298371 /nfs/dbraw/zinc/29/83/71/1369298371.db2.gz HRGATINQLGQQIS-HZPDHXFCSA-N 1 2 330.476 3.407 20 30 EGEDLO CCCCCCCCCNC(=S)NC1CC[NH+](C2COC2)CC1 ZINC001200377840 1369357237 /nfs/dbraw/zinc/35/72/37/1369357237.db2.gz ILDUMDGTUKSKMZ-UHFFFAOYSA-N 1 2 341.565 3.064 20 30 EGEDLO CC(C)C#CC(=O)NC[C@@H](C)N(C)c1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001113600814 1369510249 /nfs/dbraw/zinc/51/02/49/1369510249.db2.gz YPCMWFLGCQVIGK-MRXNPFEDSA-N 1 2 344.503 3.324 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001113728160 1369591236 /nfs/dbraw/zinc/59/12/36/1369591236.db2.gz NOXSXLRYLSVBLS-OAHLLOKOSA-N 1 2 332.492 3.452 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H](C)N(C)c2nc(C)[nH+]c(C)c2C)CC1 ZINC001113851256 1369633485 /nfs/dbraw/zinc/63/34/85/1369633485.db2.gz IYEQAQGYDDGXBC-CYBMUJFWSA-N 1 2 330.476 3.089 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CN(c3cc[nH+]c(C)n3)CC[C@@H]2C)CCCC1 ZINC001114031133 1369693367 /nfs/dbraw/zinc/69/33/67/1369693367.db2.gz QZYWQYYXFXXDFK-RDJZCZTQSA-N 1 2 342.487 3.253 20 30 EGEDLO COc1cccc(NC(=O)Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c1 ZINC001202267636 1369726296 /nfs/dbraw/zinc/72/62/96/1369726296.db2.gz NXPKAYCAMKXPJV-UHFFFAOYSA-N 1 2 342.424 3.260 20 30 EGEDLO COc1cccc(NC(=O)Nc2sc3c(c2C#N)CC[N@H+](C)C3)c1 ZINC001202267636 1369726297 /nfs/dbraw/zinc/72/62/97/1369726297.db2.gz NXPKAYCAMKXPJV-UHFFFAOYSA-N 1 2 342.424 3.260 20 30 EGEDLO C=CCOCC(=O)N[C@@H](CCCC)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001114233398 1369816508 /nfs/dbraw/zinc/81/65/08/1369816508.db2.gz PARISQNSFNKOAI-INIZCTEOSA-N 1 2 348.491 3.198 20 30 EGEDLO CCCC[C@@H](CNc1cc(C)[nH+]c(C(C)C)n1)NC(=O)C#CC1CC1 ZINC001114254254 1369830365 /nfs/dbraw/zinc/83/03/65/1369830365.db2.gz DXZLNQINOZLPRV-KRWDZBQOSA-N 1 2 342.487 3.409 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccn(C(CC)CC)n3)C[C@H]21 ZINC001114349577 1369906283 /nfs/dbraw/zinc/90/62/83/1369906283.db2.gz ZAOBGSOFOOMZED-RUYXUALKSA-N 1 2 344.503 3.147 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccn(C(CC)CC)n3)C[C@H]21 ZINC001114349577 1369906286 /nfs/dbraw/zinc/90/62/86/1369906286.db2.gz ZAOBGSOFOOMZED-RUYXUALKSA-N 1 2 344.503 3.147 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]([NH2+]Cc2noc(C(C)C)n2)C12CCC2 ZINC001202979831 1369944670 /nfs/dbraw/zinc/94/46/70/1369944670.db2.gz QDJDYOLLBHBCPN-LSDHHAIUSA-N 1 2 346.475 3.066 20 30 EGEDLO C=CCCC(=O)N1C[C@@H](CNc2nc(C)[nH+]c3c2CCCC3)C[C@@H]1C ZINC001114674870 1370019085 /nfs/dbraw/zinc/01/90/85/1370019085.db2.gz PIGUVYWJXDOEHP-GOEBONIOSA-N 1 2 342.487 3.279 20 30 EGEDLO C=CCCCC(=O)N[C@H]1C[C@@H]([NH2+]CC(F)(F)C(F)F)C12CCC2 ZINC001203338650 1370088817 /nfs/dbraw/zinc/08/88/17/1370088817.db2.gz COONAWHJNNSGGI-NEPJUHHUSA-N 1 2 336.373 3.260 20 30 EGEDLO C=CCCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2noc(C(C)C)n2)C12CCC2 ZINC001203340466 1370089840 /nfs/dbraw/zinc/08/98/40/1370089840.db2.gz LPHIRUPBQQWNMV-GJZGRUSLSA-N 1 2 346.475 3.066 20 30 EGEDLO C=CCO[C@@H](C)C(=O)N[C@H](C)CCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001114955131 1370176301 /nfs/dbraw/zinc/17/63/01/1370176301.db2.gz FXPOBQVNMILCNL-ZBFHGGJFSA-N 1 2 348.491 3.196 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nccs3)C[C@H]21 ZINC001115164151 1370322486 /nfs/dbraw/zinc/32/24/86/1370322486.db2.gz QFRPIFJYZYAHIX-HWWDLCQESA-N 1 2 335.517 3.440 20 30 EGEDLO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nccs3)C[C@H]21 ZINC001115164151 1370322489 /nfs/dbraw/zinc/32/24/89/1370322489.db2.gz QFRPIFJYZYAHIX-HWWDLCQESA-N 1 2 335.517 3.440 20 30 EGEDLO C=CCOCC(=O)NCC[C@@H](Nc1cc(C)[nH+]c(C(C)C)n1)C(C)C ZINC001115295396 1370365567 /nfs/dbraw/zinc/36/55/67/1370365567.db2.gz VKMXQERTPIPBDY-MRXNPFEDSA-N 1 2 348.491 3.054 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NCC1([NH2+]Cc2noc(CC)n2)CCCCC1 ZINC001115712605 1370692150 /nfs/dbraw/zinc/69/21/50/1370692150.db2.gz TYUFWFQKFQMGMX-GOSISDBHSA-N 1 2 348.491 3.143 20 30 EGEDLO C#Cc1cccc(NC(=S)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC001116286772 1370878024 /nfs/dbraw/zinc/87/80/24/1370878024.db2.gz VUCQDRJVUOMZFZ-INIZCTEOSA-N 1 2 338.480 3.053 20 30 EGEDLO C#CC[N@H+](CC1CC1)Cn1ccn(-c2cccc(OC)c2)c1=S ZINC001116368783 1370896485 /nfs/dbraw/zinc/89/64/85/1370896485.db2.gz FXHADOHVPCMLFF-UHFFFAOYSA-N 1 2 327.453 3.320 20 30 EGEDLO C#CC[N@@H+](CC1CC1)Cn1ccn(-c2cccc(OC)c2)c1=S ZINC001116368783 1370896492 /nfs/dbraw/zinc/89/64/92/1370896492.db2.gz FXHADOHVPCMLFF-UHFFFAOYSA-N 1 2 327.453 3.320 20 30 EGEDLO C#CCOCC[N@@H+](C)[C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC001116396419 1370902716 /nfs/dbraw/zinc/90/27/16/1370902716.db2.gz DEUMDXKRMPXKRY-IBGZPJMESA-N 1 2 347.418 3.408 20 30 EGEDLO C#CCOCC[N@H+](C)[C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC001116396419 1370902719 /nfs/dbraw/zinc/90/27/19/1370902719.db2.gz DEUMDXKRMPXKRY-IBGZPJMESA-N 1 2 347.418 3.408 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2csc(CCCC)n2)C[C@H]1C ZINC001206509544 1371078150 /nfs/dbraw/zinc/07/81/50/1371078150.db2.gz NRIKNYSVADSJQC-GDBMZVCRSA-N 1 2 335.517 3.388 20 30 EGEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2csc(CCCC)n2)C[C@H]1C ZINC001206509544 1371078155 /nfs/dbraw/zinc/07/81/55/1371078155.db2.gz NRIKNYSVADSJQC-GDBMZVCRSA-N 1 2 335.517 3.388 20 30 EGEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)c2Cl)C[C@H]1C ZINC001206659842 1371124742 /nfs/dbraw/zinc/12/47/42/1371124742.db2.gz SHEZTDWJAHSDNV-MISXGVKJSA-N 1 2 340.254 3.090 20 30 EGEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)c2Cl)C[C@H]1C ZINC001206659842 1371124746 /nfs/dbraw/zinc/12/47/46/1371124746.db2.gz SHEZTDWJAHSDNV-MISXGVKJSA-N 1 2 340.254 3.090 20 30 EGEDLO N#Cc1c(F)ccc(-c2ccc(C[NH+]3CCOCC3)cc2F)c1F ZINC001206733947 1371148512 /nfs/dbraw/zinc/14/85/12/1371148512.db2.gz JNGRZDXDSRKMOE-UHFFFAOYSA-N 1 2 332.325 3.475 20 30 EGEDLO Cc1[nH+]cc(CN2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)n1C ZINC001206795188 1371168753 /nfs/dbraw/zinc/16/87/53/1371168753.db2.gz SJKGRIUFFYTIBE-UHFFFAOYSA-N 1 2 344.846 3.297 20 30 EGEDLO O=C1C=C2C[N@H+](CCc3ccc(Br)cc3)CCC2S1 ZINC001207379596 1371380139 /nfs/dbraw/zinc/38/01/39/1371380139.db2.gz BPOCCQXPNKVESX-CQSZACIVSA-N 1 2 338.270 3.266 20 30 EGEDLO O=C1C=C2C[N@@H+](CCc3ccc(Br)cc3)CCC2S1 ZINC001207379596 1371380142 /nfs/dbraw/zinc/38/01/42/1371380142.db2.gz BPOCCQXPNKVESX-CQSZACIVSA-N 1 2 338.270 3.266 20 30 EGEDLO O=C1C=C2C[N@H+](CCc3ccc(Br)cc3)CC[C@H]2S1 ZINC001207379596 1371380148 /nfs/dbraw/zinc/38/01/48/1371380148.db2.gz BPOCCQXPNKVESX-CQSZACIVSA-N 1 2 338.270 3.266 20 30 EGEDLO O=C1C=C2C[N@@H+](CCc3ccc(Br)cc3)CC[C@H]2S1 ZINC001207379596 1371380151 /nfs/dbraw/zinc/38/01/51/1371380151.db2.gz BPOCCQXPNKVESX-CQSZACIVSA-N 1 2 338.270 3.266 20 30 EGEDLO N#Cc1ccc([C@H](O)C[NH2+][C@H](CCc2ccccc2)C(F)F)cc1 ZINC001120508330 1371594483 /nfs/dbraw/zinc/59/44/83/1371594483.db2.gz OQGBCTNBFKRHLI-QZTJIDSGSA-N 1 2 330.378 3.448 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC001208239579 1371672628 /nfs/dbraw/zinc/67/26/28/1371672628.db2.gz CZOOQUGGXDJCSB-CQSZACIVSA-N 1 2 348.491 3.050 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001120768436 1371751709 /nfs/dbraw/zinc/75/17/09/1371751709.db2.gz XFWGUAXWUYGTHH-SJLPKXTDSA-N 1 2 336.863 3.042 20 30 EGEDLO N#Cc1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)cc1Br ZINC001120812408 1371768226 /nfs/dbraw/zinc/76/82/26/1371768226.db2.gz USFXKRPDORJKTE-CQSZACIVSA-N 1 2 331.217 3.359 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C3CCC3)no2)C1 ZINC001209183537 1372028438 /nfs/dbraw/zinc/02/84/38/1372028438.db2.gz NZTGWXWWIONLHA-GOEBONIOSA-N 1 2 346.475 3.020 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2nc(CCCC)no2)C1 ZINC001209194983 1372034210 /nfs/dbraw/zinc/03/42/10/1372034210.db2.gz SOEPBUHIAUPHAB-JKSUJKDBSA-N 1 2 348.491 3.095 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cnc(Cl)s1)C2 ZINC001209470219 1372115130 /nfs/dbraw/zinc/11/51/30/1372115130.db2.gz AOIZVYMOEVZUDR-WFASDCNBSA-N 1 2 328.865 3.123 20 30 EGEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cnc(Cl)s1)C2 ZINC001209470219 1372115132 /nfs/dbraw/zinc/11/51/32/1372115132.db2.gz AOIZVYMOEVZUDR-WFASDCNBSA-N 1 2 328.865 3.123 20 30 EGEDLO C#CC[C@@H](NC(=O)N1CCC(c2c[nH+]cn2C)CC1)c1ccccc1 ZINC001121981131 1372143332 /nfs/dbraw/zinc/14/33/32/1372143332.db2.gz HWJSCSGULRHANK-GOSISDBHSA-N 1 2 336.439 3.074 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001122536400 1372268445 /nfs/dbraw/zinc/26/84/45/1372268445.db2.gz AYPGGSNWHYGTFQ-OWCLPIDISA-N 1 2 349.548 3.341 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001122536400 1372268448 /nfs/dbraw/zinc/26/84/48/1372268448.db2.gz AYPGGSNWHYGTFQ-OWCLPIDISA-N 1 2 349.548 3.341 20 30 EGEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCCC(F)(F)C1 ZINC001122537597 1372269279 /nfs/dbraw/zinc/26/92/79/1372269279.db2.gz YANKCMQRFCEKLF-UHFFFAOYSA-N 1 2 339.434 3.076 20 30 EGEDLO N#C[C@@H]1C[NH2+]CCN1Cc1ccccc1Oc1ccc(Cl)cc1 ZINC001210122645 1372275789 /nfs/dbraw/zinc/27/57/89/1372275789.db2.gz SIHFILLDPYUDJV-MRXNPFEDSA-N 1 2 327.815 3.430 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@H]1C ZINC001123091728 1372378122 /nfs/dbraw/zinc/37/81/22/1372378122.db2.gz ZDKXHXTVNBRWOT-NVXWUHKLSA-N 1 2 340.471 3.257 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@@H]2CCC[C@H](Nc3cc[nH+]c(C)n3)[C@@H]2C1 ZINC001123487461 1372487359 /nfs/dbraw/zinc/48/73/59/1372487359.db2.gz PAAORWQZBVCSER-BBWFWOEESA-N 1 2 328.460 3.180 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001123577661 1372513501 /nfs/dbraw/zinc/51/35/01/1372513501.db2.gz PESKWIYVFPIPTM-ZBFHGGJFSA-N 1 2 328.460 3.102 20 30 EGEDLO Cc1cc(NC[C@@H]2CC[C@@H](NC(=O)C#CC(C)C)C2)nc(C2CC2)[nH+]1 ZINC001123784896 1372588045 /nfs/dbraw/zinc/58/80/45/1372588045.db2.gz NTVGQFGQOFHGJV-NVXWUHKLSA-N 1 2 340.471 3.019 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1CC[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001123827696 1372600670 /nfs/dbraw/zinc/60/06/70/1372600670.db2.gz FYFUJGKWCNPUSP-ZIAGYGMSSA-N 1 2 336.867 3.261 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC[C@@H](CNc3cc[nH+]c(C)n3)C2)CCC1 ZINC001123866371 1372610442 /nfs/dbraw/zinc/61/04/42/1372610442.db2.gz DCTCPDNQOYZBAV-CVEARBPZSA-N 1 2 328.460 3.228 20 30 EGEDLO CCCCCCCCS(=O)(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001188008246 1388211961 /nfs/dbraw/zinc/21/19/61/1388211961.db2.gz FLNZKVYTBVXBOH-KRWDZBQOSA-N 1 2 340.489 3.225 20 30 EGEDLO N#Cc1ccc(Nc2ccc(C[NH+]3CC(O)C3)cc2)c(F)c1Cl ZINC001212671663 1372750075 /nfs/dbraw/zinc/75/00/75/1372750075.db2.gz UMVOWMWPXJVGEJ-UHFFFAOYSA-N 1 2 331.778 3.271 20 30 EGEDLO CCCCCCCCS(=O)(=O)NCc1c[nH+]cn1C1CCC1 ZINC001188031021 1388221963 /nfs/dbraw/zinc/22/19/63/1388221963.db2.gz ZXBFMWYMEKTWQF-UHFFFAOYSA-N 1 2 327.494 3.388 20 30 EGEDLO CNC(=O)c1cc(C#N)cc(C)c1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213090705 1372838321 /nfs/dbraw/zinc/83/83/21/1372838321.db2.gz BZYMOAICWGULTK-UHFFFAOYSA-N 1 2 331.379 3.360 20 30 EGEDLO CCCCCCC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C ZINC001214672551 1373100109 /nfs/dbraw/zinc/10/01/09/1373100109.db2.gz NBQVVMLFOJEFNG-JHJVBQTASA-N 1 2 326.378 3.294 20 30 EGEDLO CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C ZINC001214672551 1373100112 /nfs/dbraw/zinc/10/01/12/1373100112.db2.gz NBQVVMLFOJEFNG-JHJVBQTASA-N 1 2 326.378 3.294 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)C(CC)CC)c2C1 ZINC001128224038 1373237400 /nfs/dbraw/zinc/23/74/00/1373237400.db2.gz GQOILAAROOBLKZ-UHFFFAOYSA-N 1 2 346.519 3.498 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)C(CC)CC)c2C1 ZINC001128224038 1373237403 /nfs/dbraw/zinc/23/74/03/1373237403.db2.gz GQOILAAROOBLKZ-UHFFFAOYSA-N 1 2 346.519 3.498 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)/C=C\C3CC3)c2C1 ZINC001128295297 1373248425 /nfs/dbraw/zinc/24/84/25/1373248425.db2.gz NSIWJFGAELVJDN-KTKRTIGZSA-N 1 2 344.503 3.252 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)/C=C\C3CC3)c2C1 ZINC001128295297 1373248429 /nfs/dbraw/zinc/24/84/29/1373248429.db2.gz NSIWJFGAELVJDN-KTKRTIGZSA-N 1 2 344.503 3.252 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)CC3(C)CC3)c2C1 ZINC001128416293 1373264645 /nfs/dbraw/zinc/26/46/45/1373264645.db2.gz ISNXIYORUNUAHT-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)CC3(C)CC3)c2C1 ZINC001128416293 1373264648 /nfs/dbraw/zinc/26/46/48/1373264648.db2.gz ISNXIYORUNUAHT-UHFFFAOYSA-N 1 2 344.503 3.252 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)CCCCC(C)C)c2C1 ZINC001128524633 1373283534 /nfs/dbraw/zinc/28/35/34/1373283534.db2.gz LQPUNXGJKIBQAP-UHFFFAOYSA-N 1 2 332.492 3.107 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)CCCCC(C)C)c2C1 ZINC001128524633 1373283537 /nfs/dbraw/zinc/28/35/37/1373283537.db2.gz LQPUNXGJKIBQAP-UHFFFAOYSA-N 1 2 332.492 3.107 20 30 EGEDLO C=CCCC[N@@H+]1Cc2cnn(C3CCN(C(=O)/C(C)=C/C)CC3)c2C1 ZINC001130163873 1373466543 /nfs/dbraw/zinc/46/65/43/1373466543.db2.gz WEKJCHYZMAXCPM-FZSIALSZSA-N 1 2 342.487 3.295 20 30 EGEDLO C=CCCC[N@H+]1Cc2cnn(C3CCN(C(=O)/C(C)=C/C)CC3)c2C1 ZINC001130163873 1373466546 /nfs/dbraw/zinc/46/65/46/1373466546.db2.gz WEKJCHYZMAXCPM-FZSIALSZSA-N 1 2 342.487 3.295 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2nc(C)cs2)C1 ZINC001131971335 1375076792 /nfs/dbraw/zinc/07/67/92/1375076792.db2.gz GQGLLLVRFDXQFQ-HOTGVXAUSA-N 1 2 333.501 3.114 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2nc(C)cs2)C1 ZINC001131971335 1375076795 /nfs/dbraw/zinc/07/67/95/1375076795.db2.gz GQGLLLVRFDXQFQ-HOTGVXAUSA-N 1 2 333.501 3.114 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001132002473 1375092813 /nfs/dbraw/zinc/09/28/13/1375092813.db2.gz KHJGJDBYUFTWTP-HOCLYGCPSA-N 1 2 333.863 3.008 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cccc(Cl)n2)C1 ZINC001132002473 1375092817 /nfs/dbraw/zinc/09/28/17/1375092817.db2.gz KHJGJDBYUFTWTP-HOCLYGCPSA-N 1 2 333.863 3.008 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2nc(C)sc2C)C1 ZINC001132002767 1375094287 /nfs/dbraw/zinc/09/42/87/1375094287.db2.gz NWFNWDOXBAKHOP-BBRMVZONSA-N 1 2 333.501 3.033 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2nc(C)sc2C)C1 ZINC001132002767 1375094292 /nfs/dbraw/zinc/09/42/92/1375094292.db2.gz NWFNWDOXBAKHOP-BBRMVZONSA-N 1 2 333.501 3.033 20 30 EGEDLO Cc1nc(C[N@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]2C)c(C)s1 ZINC001132033454 1375108821 /nfs/dbraw/zinc/10/88/21/1375108821.db2.gz GPCBUIWMAAFECB-BBRMVZONSA-N 1 2 347.528 3.279 20 30 EGEDLO Cc1nc(C[N@@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]2C)c(C)s1 ZINC001132033454 1375108824 /nfs/dbraw/zinc/10/88/24/1375108824.db2.gz GPCBUIWMAAFECB-BBRMVZONSA-N 1 2 347.528 3.279 20 30 EGEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(Br)c(Cl)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225444668 1375112064 /nfs/dbraw/zinc/11/20/64/1375112064.db2.gz YONVHIHDQZHRKB-UBYSCORNSA-N 1 2 344.636 3.094 20 30 EGEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(Br)c(Cl)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225444668 1375112067 /nfs/dbraw/zinc/11/20/67/1375112067.db2.gz YONVHIHDQZHRKB-UBYSCORNSA-N 1 2 344.636 3.094 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1cccc(F)c1Cl ZINC001132046963 1375115661 /nfs/dbraw/zinc/11/56/61/1375115661.db2.gz SICQKSXNSKWSIU-XJKSGUPXSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1cccc(F)c1Cl ZINC001132046963 1375115662 /nfs/dbraw/zinc/11/56/62/1375115662.db2.gz SICQKSXNSKWSIU-XJKSGUPXSA-N 1 2 348.849 3.362 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=C)Br)C1 ZINC001132065594 1375128836 /nfs/dbraw/zinc/12/88/36/1375128836.db2.gz WNLMFCOSIRPKLB-UONOGXRCSA-N 1 2 329.282 3.220 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=C)Br)C1 ZINC001132065594 1375128838 /nfs/dbraw/zinc/12/88/38/1375128838.db2.gz WNLMFCOSIRPKLB-UONOGXRCSA-N 1 2 329.282 3.220 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=C)Br)C1 ZINC001132069045 1375131323 /nfs/dbraw/zinc/13/13/23/1375131323.db2.gz NPVASQIWCJMOJL-UONOGXRCSA-N 1 2 343.309 3.466 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=C)Br)C1 ZINC001132069045 1375131327 /nfs/dbraw/zinc/13/13/27/1375131327.db2.gz NPVASQIWCJMOJL-UONOGXRCSA-N 1 2 343.309 3.466 20 30 EGEDLO CC(=O)c1ccc(O)cc1O[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001225617895 1375132512 /nfs/dbraw/zinc/13/25/12/1375132512.db2.gz ALQCEHVRQTYJPU-SFHVURJKSA-N 1 2 336.391 3.120 20 30 EGEDLO CC(=O)c1ccc(O)cc1O[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001225617895 1375132516 /nfs/dbraw/zinc/13/25/16/1375132516.db2.gz ALQCEHVRQTYJPU-SFHVURJKSA-N 1 2 336.391 3.120 20 30 EGEDLO C#CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3ncc(C)s3)C2)CCC1 ZINC001132101528 1375148834 /nfs/dbraw/zinc/14/88/34/1375148834.db2.gz LIKKDNBPGIRRKJ-GOEBONIOSA-N 1 2 345.512 3.114 20 30 EGEDLO C#CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3ncc(C)s3)C2)CCC1 ZINC001132101528 1375148837 /nfs/dbraw/zinc/14/88/37/1375148837.db2.gz LIKKDNBPGIRRKJ-GOEBONIOSA-N 1 2 345.512 3.114 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001132218668 1375216692 /nfs/dbraw/zinc/21/66/92/1375216692.db2.gz TXRSIUGVAMDATC-ZFWWWQNUSA-N 1 2 335.879 3.416 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001132218668 1375216700 /nfs/dbraw/zinc/21/67/00/1375216700.db2.gz TXRSIUGVAMDATC-ZFWWWQNUSA-N 1 2 335.879 3.416 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2csc(CC)n2)C1 ZINC001132228193 1375223993 /nfs/dbraw/zinc/22/39/93/1375223993.db2.gz NOUDBKXICSDKOR-UONOGXRCSA-N 1 2 335.517 3.387 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2csc(CC)n2)C1 ZINC001132228193 1375223997 /nfs/dbraw/zinc/22/39/97/1375223997.db2.gz NOUDBKXICSDKOR-UONOGXRCSA-N 1 2 335.517 3.387 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2coc(C)n2)C1 ZINC001132241079 1375236148 /nfs/dbraw/zinc/23/61/48/1375236148.db2.gz QGSJJBPHWXYWMR-WBVHZDCISA-N 1 2 331.460 3.036 20 30 EGEDLO C#CCCCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2coc(C)n2)C1 ZINC001132241079 1375236152 /nfs/dbraw/zinc/23/61/52/1375236152.db2.gz QGSJJBPHWXYWMR-WBVHZDCISA-N 1 2 331.460 3.036 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3nocc3C)C2)CC1 ZINC001132279466 1375263547 /nfs/dbraw/zinc/26/35/47/1375263547.db2.gz XFDSHGHRBSKQBP-JKSUJKDBSA-N 1 2 331.460 3.199 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3nocc3C)C2)CC1 ZINC001132279466 1375263550 /nfs/dbraw/zinc/26/35/50/1375263550.db2.gz XFDSHGHRBSKQBP-JKSUJKDBSA-N 1 2 331.460 3.199 20 30 EGEDLO C=CCCC(=O)NC1CC[NH+](Cc2cc(-c3cccs3)on2)CC1 ZINC001226519271 1375273797 /nfs/dbraw/zinc/27/37/97/1375273797.db2.gz UGMLUMVBTRZYIK-UHFFFAOYSA-N 1 2 345.468 3.450 20 30 EGEDLO C#CCCCCC(=O)NC1CC[NH+](Cc2cc(C(C)(C)C)on2)CC1 ZINC001226951902 1375369619 /nfs/dbraw/zinc/36/96/19/1375369619.db2.gz MMCOVQXVYXQEOR-UHFFFAOYSA-N 1 2 345.487 3.246 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCc2ccccc2F)CC[C@H]1C ZINC001132481966 1375417460 /nfs/dbraw/zinc/41/74/60/1375417460.db2.gz OYKGKDGAEIBVPG-ZBFHGGJFSA-N 1 2 338.854 3.480 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCc2ccccc2F)CC[C@H]1C ZINC001132481966 1375417466 /nfs/dbraw/zinc/41/74/66/1375417466.db2.gz OYKGKDGAEIBVPG-ZBFHGGJFSA-N 1 2 338.854 3.480 20 30 EGEDLO C=C(C)CCC(=O)NC1CC[NH+]([C@@H](C)c2nnc(CC(C)C)o2)CC1 ZINC001227606955 1375452262 /nfs/dbraw/zinc/45/22/62/1375452262.db2.gz FNTUAIDBVQJZNL-HNNXBMFYSA-N 1 2 348.491 3.266 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC001228596940 1375609350 /nfs/dbraw/zinc/60/93/50/1375609350.db2.gz NTUWYUHTLGANOD-UHFFFAOYSA-N 1 2 335.517 3.388 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ncc(C(C)C)o2)CC1 ZINC001228748907 1375661876 /nfs/dbraw/zinc/66/18/76/1375661876.db2.gz OGPBBSALZWPOQB-GJZGRUSLSA-N 1 2 333.476 3.337 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ncc(C(C)C)o2)CC1 ZINC001228748911 1375662102 /nfs/dbraw/zinc/66/21/02/1375662102.db2.gz OGPBBSALZWPOQB-LSDHHAIUSA-N 1 2 333.476 3.337 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC001228795372 1375679838 /nfs/dbraw/zinc/67/98/38/1375679838.db2.gz WWYXNDAUGCPXPW-AWEZNQCLSA-N 1 2 335.517 3.388 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC1CC[NH+](Cc2ccn(C(C)C)n2)CC1 ZINC001228808695 1375683593 /nfs/dbraw/zinc/68/35/93/1375683593.db2.gz AFBOZKUHOZWECB-INIZCTEOSA-N 1 2 332.492 3.147 20 30 EGEDLO N#Cc1cccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1Cl ZINC001229067661 1375756435 /nfs/dbraw/zinc/75/64/35/1375756435.db2.gz OOVWYECKSIIEQY-QGZVFWFLSA-N 1 2 342.826 3.491 20 30 EGEDLO N#Cc1cccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1Cl ZINC001229067661 1375756437 /nfs/dbraw/zinc/75/64/37/1375756437.db2.gz OOVWYECKSIIEQY-QGZVFWFLSA-N 1 2 342.826 3.491 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)C2(CCC)CC2)CC1 ZINC001229103142 1375764157 /nfs/dbraw/zinc/76/41/57/1375764157.db2.gz UGZGKXAXLRKJHR-UHFFFAOYSA-N 1 2 329.282 3.056 20 30 EGEDLO C=CCC(C)(C)C(=O)NC1CC[NH+]([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC001229370431 1375821259 /nfs/dbraw/zinc/82/12/59/1375821259.db2.gz YMVUCQNRBBCOHK-ZDUSSCGKSA-N 1 2 346.475 3.191 20 30 EGEDLO C=C(Cl)C[N@H+](CCCNC(=O)[C@H]1[C@@H]2CCC[C@@H]21)Cc1cccnc1 ZINC001230722509 1376132512 /nfs/dbraw/zinc/13/25/12/1376132512.db2.gz MZYDSBADGGHJQA-PIIMJCKOSA-N 1 2 347.890 3.189 20 30 EGEDLO C=C(Cl)C[N@@H+](CCCNC(=O)[C@H]1[C@@H]2CCC[C@@H]21)Cc1cccnc1 ZINC001230722509 1376132515 /nfs/dbraw/zinc/13/25/15/1376132515.db2.gz MZYDSBADGGHJQA-PIIMJCKOSA-N 1 2 347.890 3.189 20 30 EGEDLO CCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001230775776 1376149257 /nfs/dbraw/zinc/14/92/57/1376149257.db2.gz MDJSAYBVKGCIMJ-QGZVFWFLSA-N 1 2 331.435 3.310 20 30 EGEDLO CCCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001230775776 1376149260 /nfs/dbraw/zinc/14/92/60/1376149260.db2.gz MDJSAYBVKGCIMJ-QGZVFWFLSA-N 1 2 331.435 3.310 20 30 EGEDLO CCC[C@@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001231312631 1376227673 /nfs/dbraw/zinc/22/76/73/1376227673.db2.gz QZLGXHQFIXOQDI-RHSMWYFYSA-N 1 2 331.435 3.166 20 30 EGEDLO CCC[C@@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001231312631 1376227679 /nfs/dbraw/zinc/22/76/79/1376227679.db2.gz QZLGXHQFIXOQDI-RHSMWYFYSA-N 1 2 331.435 3.166 20 30 EGEDLO C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1)C1CC1 ZINC001231412459 1376237326 /nfs/dbraw/zinc/23/73/26/1376237326.db2.gz CKZYOWBMMSCPAK-KXBFYZLASA-N 1 2 344.886 3.270 20 30 EGEDLO C[C@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1)C1CC1 ZINC001231412459 1376237335 /nfs/dbraw/zinc/23/73/35/1376237335.db2.gz CKZYOWBMMSCPAK-KXBFYZLASA-N 1 2 344.886 3.270 20 30 EGEDLO O=C1C=C2C[N@H+](Cc3ccc(-n4cccn4)cc3Cl)CC[C@H]2S1 ZINC001232594016 1376485221 /nfs/dbraw/zinc/48/52/21/1376485221.db2.gz FMGYCKXDSNIGJJ-MRXNPFEDSA-N 1 2 345.855 3.300 20 30 EGEDLO O=C1C=C2C[N@@H+](Cc3ccc(-n4cccn4)cc3Cl)CC[C@H]2S1 ZINC001232594016 1376485223 /nfs/dbraw/zinc/48/52/23/1376485223.db2.gz FMGYCKXDSNIGJJ-MRXNPFEDSA-N 1 2 345.855 3.300 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](n3cc(Br)cn3)C2)s1 ZINC001232845450 1376523926 /nfs/dbraw/zinc/52/39/26/1376523926.db2.gz XOJCDUBHEVUTCC-LLVKDONJSA-N 1 2 337.246 3.026 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](n3cc(Br)cn3)C2)s1 ZINC001232845450 1376523930 /nfs/dbraw/zinc/52/39/30/1376523930.db2.gz XOJCDUBHEVUTCC-LLVKDONJSA-N 1 2 337.246 3.026 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(F)(F)C(F)F ZINC001134457511 1376548420 /nfs/dbraw/zinc/54/84/20/1376548420.db2.gz PCEAHRGLRRIYJN-WDEREUQCSA-N 1 2 326.378 3.362 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)C(F)=C1CCCC1 ZINC001233623123 1376685936 /nfs/dbraw/zinc/68/59/36/1376685936.db2.gz QWDOKPZXNOYJPU-CQSZACIVSA-N 1 2 347.459 3.450 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)C(F)=C1CCCC1 ZINC001233623123 1376685939 /nfs/dbraw/zinc/68/59/39/1376685939.db2.gz QWDOKPZXNOYJPU-CQSZACIVSA-N 1 2 347.459 3.450 20 30 EGEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)c1ccc(F)c(F)c1 ZINC001234128898 1376772860 /nfs/dbraw/zinc/77/28/60/1376772860.db2.gz FLNLDODCENRPOG-GOEBONIOSA-N 1 2 334.410 3.218 20 30 EGEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)c1ccc(F)c(F)c1 ZINC001234128898 1376772865 /nfs/dbraw/zinc/77/28/65/1376772865.db2.gz FLNLDODCENRPOG-GOEBONIOSA-N 1 2 334.410 3.218 20 30 EGEDLO CC/C(C)=C/C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001234130565 1376774564 /nfs/dbraw/zinc/77/45/64/1376774564.db2.gz NHNWSDSVQZGKNQ-IDCODDLRSA-N 1 2 328.431 3.066 20 30 EGEDLO CC/C(C)=C/C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001234130565 1376774587 /nfs/dbraw/zinc/77/45/87/1376774587.db2.gz NHNWSDSVQZGKNQ-IDCODDLRSA-N 1 2 328.431 3.066 20 30 EGEDLO CCCc1nc(C)c(C[N@@H+]2CC[C@H]2CN(C)C(=O)C#CC(C)(C)C)o1 ZINC001234195231 1376783981 /nfs/dbraw/zinc/78/39/81/1376783981.db2.gz JFDVDKUCSQNTHO-INIZCTEOSA-N 1 2 345.487 3.018 20 30 EGEDLO CCCc1nc(C)c(C[N@H+]2CC[C@H]2CN(C)C(=O)C#CC(C)(C)C)o1 ZINC001234195231 1376783993 /nfs/dbraw/zinc/78/39/93/1376783993.db2.gz JFDVDKUCSQNTHO-INIZCTEOSA-N 1 2 345.487 3.018 20 30 EGEDLO C#CCCCCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(F)(F)C(F)F ZINC001135194393 1376966509 /nfs/dbraw/zinc/96/65/09/1376966509.db2.gz UWSLXNNCXJYLGR-QWHCGFSZSA-N 1 2 338.389 3.343 20 30 EGEDLO COc1ncc(C2CC2)cc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC001238034232 1376991998 /nfs/dbraw/zinc/99/19/98/1376991998.db2.gz XEGOBLLXQRKGAI-UHFFFAOYSA-N 1 2 348.450 3.161 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)c(Cl)c1 ZINC001238086093 1376994347 /nfs/dbraw/zinc/99/43/47/1376994347.db2.gz SULKQRHGYPMGIY-KRWDZBQOSA-N 1 2 331.847 3.189 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2C(=O)N2CCCC2)c(Cl)c1 ZINC001238086093 1376994350 /nfs/dbraw/zinc/99/43/50/1376994350.db2.gz SULKQRHGYPMGIY-KRWDZBQOSA-N 1 2 331.847 3.189 20 30 EGEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(-c2c[nH+]c(N)c(C)c2)n1 ZINC001245537973 1377047231 /nfs/dbraw/zinc/04/72/31/1377047231.db2.gz MXDYMUZMNGHEPA-LPMBFVOQSA-N 1 2 330.457 3.224 20 30 EGEDLO N#Cc1ccc(Oc2ccc(NC(=O)CCc3[nH]cc[nH+]3)cc2)nc1 ZINC001136450124 1377394730 /nfs/dbraw/zinc/39/47/30/1377394730.db2.gz JAGCJMYFSRLMCB-UHFFFAOYSA-N 1 2 333.351 3.040 20 30 EGEDLO COc1cccc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)n1 ZINC001137536379 1377563026 /nfs/dbraw/zinc/56/30/26/1377563026.db2.gz ANCXLDPSUARIEY-UHFFFAOYSA-N 1 2 325.387 3.287 20 30 EGEDLO C#CCOc1ccc(C[N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)cc1OC ZINC001138345693 1377706400 /nfs/dbraw/zinc/70/64/00/1377706400.db2.gz MXBAQBVAGRPPKY-INIZCTEOSA-N 1 2 345.439 3.013 20 30 EGEDLO C#CCOc1ccc(C[N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)cc1OC ZINC001138345693 1377706406 /nfs/dbraw/zinc/70/64/06/1377706406.db2.gz MXBAQBVAGRPPKY-INIZCTEOSA-N 1 2 345.439 3.013 20 30 EGEDLO COc1cc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)ccc1OC(F)F ZINC001138554119 1377741794 /nfs/dbraw/zinc/74/17/94/1377741794.db2.gz ZOJYQHCMMXKSQR-AWEZNQCLSA-N 1 2 341.379 3.071 20 30 EGEDLO Cc1cc(C[NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)nn1C ZINC001138830986 1377793250 /nfs/dbraw/zinc/79/32/50/1377793250.db2.gz OBXZQZRTKYHTID-UHFFFAOYSA-N 1 2 344.846 3.297 20 30 EGEDLO Cc1cc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)cnc1Cl ZINC001139544878 1377902187 /nfs/dbraw/zinc/90/21/87/1377902187.db2.gz FPAJTGDRYNVURI-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001139690632 1377935157 /nfs/dbraw/zinc/93/51/57/1377935157.db2.gz FIUDKHUAUWEVQD-LPHOPBHVSA-N 1 2 346.858 3.372 20 30 EGEDLO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001139690632 1377935158 /nfs/dbraw/zinc/93/51/58/1377935158.db2.gz FIUDKHUAUWEVQD-LPHOPBHVSA-N 1 2 346.858 3.372 20 30 EGEDLO N#Cc1cccc2c(CN3CC[NH+](Cc4ccc(F)cc4)CC3)c[nH]c21 ZINC001139701671 1377937820 /nfs/dbraw/zinc/93/78/20/1377937820.db2.gz NQOHRPXPHPYFHL-UHFFFAOYSA-N 1 2 348.425 3.496 20 30 EGEDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1c[nH]c3c1cccc3C#N)C2 ZINC001139706809 1377938242 /nfs/dbraw/zinc/93/82/42/1377938242.db2.gz IRLOCXOJGIVIEO-UHFFFAOYSA-N 1 2 331.375 3.342 20 30 EGEDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1c[nH]c3c1cccc3C#N)C2 ZINC001139706809 1377938243 /nfs/dbraw/zinc/93/82/43/1377938243.db2.gz IRLOCXOJGIVIEO-UHFFFAOYSA-N 1 2 331.375 3.342 20 30 EGEDLO COc1cc(C[N@H+](C)Cc2ccc(C#N)cc2F)cc(OC)c1OC ZINC001140139424 1378018770 /nfs/dbraw/zinc/01/87/70/1378018770.db2.gz QRYTYLROMVBHIA-UHFFFAOYSA-N 1 2 344.386 3.355 20 30 EGEDLO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2F)cc(OC)c1OC ZINC001140139424 1378018772 /nfs/dbraw/zinc/01/87/72/1378018772.db2.gz QRYTYLROMVBHIA-UHFFFAOYSA-N 1 2 344.386 3.355 20 30 EGEDLO C=CCOCc1ncn2c1C[N@H+](Cc1cc(Cl)ccc1N)CCC2 ZINC001140713809 1378121567 /nfs/dbraw/zinc/12/15/67/1378121567.db2.gz FZDCDAGJXGEFRP-UHFFFAOYSA-N 1 2 346.862 3.227 20 30 EGEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1cc(Cl)ccc1N)CCC2 ZINC001140713809 1378121568 /nfs/dbraw/zinc/12/15/68/1378121568.db2.gz FZDCDAGJXGEFRP-UHFFFAOYSA-N 1 2 346.862 3.227 20 30 EGEDLO N#Cc1c(F)cc(CN2CC[NH+](Cc3ccccc3F)CC2)cc1F ZINC001140753239 1378129556 /nfs/dbraw/zinc/12/95/56/1378129556.db2.gz CBSFBCUPZLVXAW-UHFFFAOYSA-N 1 2 345.368 3.293 20 30 EGEDLO N#Cc1cccc(N2CC[NH+](Cc3cc(O)cc(Cl)c3)CC2)c1 ZINC001140790813 1378137437 /nfs/dbraw/zinc/13/74/37/1378137437.db2.gz NEODKFOWUXVWBA-UHFFFAOYSA-N 1 2 327.815 3.239 20 30 EGEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC001141165009 1378255750 /nfs/dbraw/zinc/25/57/50/1378255750.db2.gz QBALJBZVCAVSGR-UHFFFAOYSA-N 1 2 328.362 3.320 20 30 EGEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1Cc1ccccc1CC ZINC001141224810 1378274522 /nfs/dbraw/zinc/27/45/22/1378274522.db2.gz NCFHMMNLOWEFLB-LJQANCHMSA-N 1 2 340.471 3.162 20 30 EGEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1Cc1ccccc1CC ZINC001141224810 1378274527 /nfs/dbraw/zinc/27/45/27/1378274527.db2.gz NCFHMMNLOWEFLB-LJQANCHMSA-N 1 2 340.471 3.162 20 30 EGEDLO COc1cccc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)c1F ZINC001141223267 1378274947 /nfs/dbraw/zinc/27/49/47/1378274947.db2.gz VMPZFTJUTRYCNA-UHFFFAOYSA-N 1 2 325.387 3.028 20 30 EGEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1Cc1ccccc1CC ZINC001141224809 1378275602 /nfs/dbraw/zinc/27/56/02/1378275602.db2.gz NCFHMMNLOWEFLB-IBGZPJMESA-N 1 2 340.471 3.162 20 30 EGEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1Cc1ccccc1CC ZINC001141224809 1378275606 /nfs/dbraw/zinc/27/56/06/1378275606.db2.gz NCFHMMNLOWEFLB-IBGZPJMESA-N 1 2 340.471 3.162 20 30 EGEDLO CC1(C)C(=O)NCC[N@H+]1Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141293654 1378293045 /nfs/dbraw/zinc/29/30/45/1378293045.db2.gz FJJQPPVFCHFQBE-UHFFFAOYSA-N 1 2 335.407 3.061 20 30 EGEDLO CC1(C)C(=O)NCC[N@@H+]1Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141293654 1378293051 /nfs/dbraw/zinc/29/30/51/1378293051.db2.gz FJJQPPVFCHFQBE-UHFFFAOYSA-N 1 2 335.407 3.061 20 30 EGEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC2(CCCO2)CC1 ZINC001141814857 1378381288 /nfs/dbraw/zinc/38/12/88/1378381288.db2.gz SICPJQGVCZHIGE-UHFFFAOYSA-N 1 2 335.245 3.466 20 30 EGEDLO CC(C)(C)c1nc[nH]c1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC001142234615 1378423013 /nfs/dbraw/zinc/42/30/13/1378423013.db2.gz FOKYCEVHJZCFLT-UHFFFAOYSA-N 1 2 341.434 3.040 20 30 EGEDLO C[C@H]1C[N@H+](Cc2c(F)ccc(C#N)c2F)CCC[C@]1(O)C(F)(F)F ZINC001143164095 1378552537 /nfs/dbraw/zinc/55/25/37/1378552537.db2.gz ADBDAUAFXGIOCO-ZUZCIYMTSA-N 1 2 348.315 3.362 20 30 EGEDLO C[C@H]1C[N@@H+](Cc2c(F)ccc(C#N)c2F)CCC[C@]1(O)C(F)(F)F ZINC001143164095 1378552540 /nfs/dbraw/zinc/55/25/40/1378552540.db2.gz ADBDAUAFXGIOCO-ZUZCIYMTSA-N 1 2 348.315 3.362 20 30 EGEDLO CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)C(C)(C)C#N)CC2)cc1 ZINC001143398488 1378592318 /nfs/dbraw/zinc/59/23/18/1378592318.db2.gz PHIYFDBPHWORRI-UHFFFAOYSA-N 1 2 327.472 3.178 20 30 EGEDLO N#Cc1cncc(C[NH+]2CCN(c3ccccc3C(F)(F)F)CC2)c1 ZINC001144084497 1378680580 /nfs/dbraw/zinc/68/05/80/1378680580.db2.gz FEZLPOISWCISFP-UHFFFAOYSA-N 1 2 346.356 3.294 20 30 EGEDLO Cc1cc2ccccc2nc1N1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC001144163641 1378689356 /nfs/dbraw/zinc/68/93/56/1378689356.db2.gz OWAIHRHGGWLWFD-UHFFFAOYSA-N 1 2 343.434 3.132 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCc3ccc(OC(F)(F)F)cc3C2)nc1 ZINC001144166364 1378690718 /nfs/dbraw/zinc/69/07/18/1378690718.db2.gz BDFABWFGFKHKSH-UHFFFAOYSA-N 1 2 333.313 3.410 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCc3ccc(OC(F)(F)F)cc3C2)nc1 ZINC001144166364 1378690722 /nfs/dbraw/zinc/69/07/22/1378690722.db2.gz BDFABWFGFKHKSH-UHFFFAOYSA-N 1 2 333.313 3.410 20 30 EGEDLO COc1cccc([C@H]2CSCC[N@@H+]2Cc2ccc(C#N)cn2)c1 ZINC001144169647 1378691506 /nfs/dbraw/zinc/69/15/06/1378691506.db2.gz QAIJHUZTDXTJKG-GOSISDBHSA-N 1 2 325.437 3.252 20 30 EGEDLO COc1cccc([C@H]2CSCC[N@H+]2Cc2ccc(C#N)cn2)c1 ZINC001144169647 1378691512 /nfs/dbraw/zinc/69/15/12/1378691512.db2.gz QAIJHUZTDXTJKG-GOSISDBHSA-N 1 2 325.437 3.252 20 30 EGEDLO CC[C@H](C)CC(=O)N1CC2(C1)CC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001147451553 1379024487 /nfs/dbraw/zinc/02/44/87/1379024487.db2.gz WBSGPDPISSQMMU-HNNXBMFYSA-N 1 2 343.446 3.168 20 30 EGEDLO CC[C@H](C)CC(=O)N1CC2(C1)CC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001147451553 1379024490 /nfs/dbraw/zinc/02/44/90/1379024490.db2.gz WBSGPDPISSQMMU-HNNXBMFYSA-N 1 2 343.446 3.168 20 30 EGEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)[C@H](C)CCCC)C2)C1 ZINC001147467490 1379027211 /nfs/dbraw/zinc/02/72/11/1379027211.db2.gz KLDFQZOLDZSEQW-CYBMUJFWSA-N 1 2 343.309 3.256 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)[C@H](C)CCCC)C2)C1 ZINC001147467490 1379027214 /nfs/dbraw/zinc/02/72/14/1379027214.db2.gz KLDFQZOLDZSEQW-CYBMUJFWSA-N 1 2 343.309 3.256 20 30 EGEDLO CCCCCCC[N@@H+]1CCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001147598433 1379048210 /nfs/dbraw/zinc/04/82/10/1379048210.db2.gz UKUVPFLGNABDND-CYBMUJFWSA-N 1 2 338.389 3.392 20 30 EGEDLO CCCCCCC[N@H+]1CCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001147598433 1379048213 /nfs/dbraw/zinc/04/82/13/1379048213.db2.gz UKUVPFLGNABDND-CYBMUJFWSA-N 1 2 338.389 3.392 20 30 EGEDLO CCCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001147598433 1379048216 /nfs/dbraw/zinc/04/82/16/1379048216.db2.gz UKUVPFLGNABDND-CYBMUJFWSA-N 1 2 338.389 3.392 20 30 EGEDLO CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001147598433 1379048220 /nfs/dbraw/zinc/04/82/20/1379048220.db2.gz UKUVPFLGNABDND-CYBMUJFWSA-N 1 2 338.389 3.392 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@H+](Cc1coc(C3CC3)n1)C2 ZINC001147652455 1379056108 /nfs/dbraw/zinc/05/61/08/1379056108.db2.gz KPJMXYWGUMQFIS-UHFFFAOYSA-N 1 2 343.471 3.189 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@@H+](Cc1coc(C3CC3)n1)C2 ZINC001147652455 1379056111 /nfs/dbraw/zinc/05/61/11/1379056111.db2.gz KPJMXYWGUMQFIS-UHFFFAOYSA-N 1 2 343.471 3.189 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C(C)C)o1)C2 ZINC001148096298 1379118251 /nfs/dbraw/zinc/11/82/51/1379118251.db2.gz YYUAOOKEDIGCOI-HZPDHXFCSA-N 1 2 345.487 3.291 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C(C)C)o1)C2 ZINC001148096298 1379118255 /nfs/dbraw/zinc/11/82/55/1379118255.db2.gz YYUAOOKEDIGCOI-HZPDHXFCSA-N 1 2 345.487 3.291 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@H+](Cc1coc(C3CC3)n1)C2 ZINC001148126486 1379122038 /nfs/dbraw/zinc/12/20/38/1379122038.db2.gz YHPPQCPYEVNBMY-HNNXBMFYSA-N 1 2 343.471 3.189 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](Cc1coc(C3CC3)n1)C2 ZINC001148126486 1379122040 /nfs/dbraw/zinc/12/20/40/1379122040.db2.gz YHPPQCPYEVNBMY-HNNXBMFYSA-N 1 2 343.471 3.189 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C(C)C)o1)C2 ZINC001148371047 1379158163 /nfs/dbraw/zinc/15/81/63/1379158163.db2.gz ILDIKCKMUHVCJP-UHFFFAOYSA-N 1 2 345.487 3.435 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C(C)C)o1)C2 ZINC001148371047 1379158164 /nfs/dbraw/zinc/15/81/64/1379158164.db2.gz ILDIKCKMUHVCJP-UHFFFAOYSA-N 1 2 345.487 3.435 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1cccc(C)c1 ZINC001151685823 1379763815 /nfs/dbraw/zinc/76/38/15/1379763815.db2.gz XNZDHFMJKKGJFE-CQSZACIVSA-N 1 2 339.277 3.344 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1cccc(C)c1 ZINC001151685823 1379763818 /nfs/dbraw/zinc/76/38/18/1379763818.db2.gz XNZDHFMJKKGJFE-CQSZACIVSA-N 1 2 339.277 3.344 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1ccc(C)o1 ZINC001151721054 1379769129 /nfs/dbraw/zinc/76/91/29/1379769129.db2.gz MZPVTEPQULFQPA-CYBMUJFWSA-N 1 2 343.402 3.239 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1ccc(C)o1 ZINC001151721054 1379769131 /nfs/dbraw/zinc/76/91/31/1379769131.db2.gz MZPVTEPQULFQPA-CYBMUJFWSA-N 1 2 343.402 3.239 20 30 EGEDLO C=CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccon1)c1ccccc1 ZINC001157041603 1380758273 /nfs/dbraw/zinc/75/82/73/1380758273.db2.gz PWCGEHFDZIYOES-APWZRJJASA-N 1 2 341.455 3.361 20 30 EGEDLO C=CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccon1)c1ccccc1 ZINC001157041603 1380758274 /nfs/dbraw/zinc/75/82/74/1380758274.db2.gz PWCGEHFDZIYOES-APWZRJJASA-N 1 2 341.455 3.361 20 30 EGEDLO Cc1ccc(CC#N)c(N2CC[C@@]3(c4ccccc4OC3=O)C2(C)C)[nH+]1 ZINC001157600891 1380977481 /nfs/dbraw/zinc/97/74/81/1380977481.db2.gz KUCALOMDIVAQKE-NRFANRHFSA-N 1 2 347.418 3.302 20 30 EGEDLO C#CCCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nc(C)oc1C ZINC001157856837 1381052226 /nfs/dbraw/zinc/05/22/26/1381052226.db2.gz OZIQPUKQDDITPK-GOSISDBHSA-N 1 2 345.487 3.298 20 30 EGEDLO C#CCCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nc(C)oc1C ZINC001157856837 1381052233 /nfs/dbraw/zinc/05/22/33/1381052233.db2.gz OZIQPUKQDDITPK-GOSISDBHSA-N 1 2 345.487 3.298 20 30 EGEDLO Cc1nc(C[N@@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)C)c(C)s1 ZINC001157940432 1381076642 /nfs/dbraw/zinc/07/66/42/1381076642.db2.gz ZCZWKVXBBCVQMN-QGZVFWFLSA-N 1 2 347.528 3.232 20 30 EGEDLO Cc1nc(C[N@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)C)c(C)s1 ZINC001157940432 1381076646 /nfs/dbraw/zinc/07/66/46/1381076646.db2.gz ZCZWKVXBBCVQMN-QGZVFWFLSA-N 1 2 347.528 3.232 20 30 EGEDLO CCC(=O)N(CC)C1CCN(c2[nH+]ccc3ccc(C#N)cc32)CC1 ZINC001157943515 1381077721 /nfs/dbraw/zinc/07/77/21/1381077721.db2.gz RJACOUBXDDSWKP-UHFFFAOYSA-N 1 2 336.439 3.334 20 30 EGEDLO CCc1cnc(C[N@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)(C)C)o1 ZINC001157964434 1381084027 /nfs/dbraw/zinc/08/40/27/1381084027.db2.gz AYDMCBGRFRUAMP-MRXNPFEDSA-N 1 2 345.487 3.099 20 30 EGEDLO CCc1cnc(C[N@@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)(C)C)o1 ZINC001157964434 1381084030 /nfs/dbraw/zinc/08/40/30/1381084030.db2.gz AYDMCBGRFRUAMP-MRXNPFEDSA-N 1 2 345.487 3.099 20 30 EGEDLO CC(C)N1CC2(CC1=O)CCN(c1[nH+]ccc3ccc(C#N)cc31)CC2 ZINC001158230188 1381168605 /nfs/dbraw/zinc/16/86/05/1381168605.db2.gz CEIHXLPRPWXCHW-UHFFFAOYSA-N 1 2 348.450 3.334 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)CC1(C)CC1 ZINC001158232966 1381168901 /nfs/dbraw/zinc/16/89/01/1381168901.db2.gz IYIZKVCHLZXAMU-CQSZACIVSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CC1(C)CC1 ZINC001158232966 1381168904 /nfs/dbraw/zinc/16/89/04/1381168904.db2.gz IYIZKVCHLZXAMU-CQSZACIVSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)C2=CCCC2)CC1 ZINC001159774263 1381896037 /nfs/dbraw/zinc/89/60/37/1381896037.db2.gz PKLRGEHXGQNNHH-UHFFFAOYSA-N 1 2 339.277 3.144 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)C2=CCCC2)CC1 ZINC001159774263 1381896040 /nfs/dbraw/zinc/89/60/40/1381896040.db2.gz PKLRGEHXGQNNHH-UHFFFAOYSA-N 1 2 339.277 3.144 20 30 EGEDLO COC(OC)c1cc(C)c[nH+]c1NCCOc1ccc(C#N)cc1 ZINC001160282884 1382061403 /nfs/dbraw/zinc/06/14/03/1382061403.db2.gz FXLMUMQIGHXANG-UHFFFAOYSA-N 1 2 327.384 3.044 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@H+](Cc2ncc(C)cn2)CC1 ZINC001160990446 1382263212 /nfs/dbraw/zinc/26/32/12/1382263212.db2.gz APWHKKQVIBQCFW-KRWDZBQOSA-N 1 2 342.487 3.026 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@@H+](Cc2ncc(C)cn2)CC1 ZINC001160990446 1382263218 /nfs/dbraw/zinc/26/32/18/1382263218.db2.gz APWHKKQVIBQCFW-KRWDZBQOSA-N 1 2 342.487 3.026 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@H+](Cc2nccn2CC)CC1 ZINC001160991193 1382264685 /nfs/dbraw/zinc/26/46/85/1382264685.db2.gz MRBXGAFGDCYXRR-KRWDZBQOSA-N 1 2 344.503 3.144 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@@H+](Cc2nccn2CC)CC1 ZINC001160991193 1382264688 /nfs/dbraw/zinc/26/46/88/1382264688.db2.gz MRBXGAFGDCYXRR-KRWDZBQOSA-N 1 2 344.503 3.144 20 30 EGEDLO CCCCCCCCCCN(C)C(=O)[C@@H]1CC[NH2+][C@H](C(=O)OC)C1 ZINC001161227144 1382348462 /nfs/dbraw/zinc/34/84/62/1382348462.db2.gz OYVJJKOECSTNLR-SJORKVTESA-N 1 2 340.508 3.127 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1=CC[N@H+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001161343407 1382376580 /nfs/dbraw/zinc/37/65/80/1382376580.db2.gz BZNBSXHUOLWGDX-AWEZNQCLSA-N 1 2 346.475 3.180 20 30 EGEDLO C=CCC(C)(C)C(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001161343407 1382376586 /nfs/dbraw/zinc/37/65/86/1382376586.db2.gz BZNBSXHUOLWGDX-AWEZNQCLSA-N 1 2 346.475 3.180 20 30 EGEDLO C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001167167801 1383557289 /nfs/dbraw/zinc/55/72/89/1383557289.db2.gz QHDVSMJTLXOBBK-JKSUJKDBSA-N 1 2 344.503 3.060 20 30 EGEDLO CCOC(=O)c1cc(NCCc2cn3ccccc3[nH+]2)ccc1C#N ZINC001169009573 1384088265 /nfs/dbraw/zinc/08/82/65/1384088265.db2.gz RGXRIPHIRNOCCF-UHFFFAOYSA-N 1 2 334.379 3.037 20 30 EGEDLO C=CCOC(=O)CC[C@H]([NH2+][C@H](C)CCCC(C)C)C(=O)OCC=C ZINC001170063431 1384227147 /nfs/dbraw/zinc/22/71/47/1384227147.db2.gz CTRVRDBGWBTGQR-SJORKVTESA-N 1 2 339.476 3.398 20 30 EGEDLO CCS(=O)(=O)c1ccc(CNc2cc(C3(C#N)CC3)cc[nH+]2)cc1 ZINC001170323136 1384290693 /nfs/dbraw/zinc/29/06/93/1384290693.db2.gz XRQKKGAQFXAFOB-UHFFFAOYSA-N 1 2 341.436 3.042 20 30 EGEDLO CCOC(=O)C1([NH2+][C@@H](C)Cc2cccc(C#N)c2)Cc2ccccc2C1 ZINC001171189561 1384465029 /nfs/dbraw/zinc/46/50/29/1384465029.db2.gz HJXSUMOTTZEQGS-INIZCTEOSA-N 1 2 348.446 3.180 20 30 EGEDLO COc1ccccc1C[NH+]1CCN([C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171220503 1384471898 /nfs/dbraw/zinc/47/18/98/1384471898.db2.gz AVGQDRVBZGNYPA-SFHVURJKSA-N 1 2 349.478 3.316 20 30 EGEDLO COc1cccc(C[NH+]2CCN([C@H](C)Cc3cccc(C#N)c3)CC2)c1 ZINC001171222105 1384472547 /nfs/dbraw/zinc/47/25/47/1384472547.db2.gz DBENIWROTBIXQJ-GOSISDBHSA-N 1 2 349.478 3.316 20 30 EGEDLO CCCC(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001316608518 1384478091 /nfs/dbraw/zinc/47/80/91/1384478091.db2.gz WPPBZCQNWJKOIW-CQSZACIVSA-N 1 2 333.501 3.479 20 30 EGEDLO CCCC(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001316608518 1384478094 /nfs/dbraw/zinc/47/80/94/1384478094.db2.gz WPPBZCQNWJKOIW-CQSZACIVSA-N 1 2 333.501 3.479 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCOc2cc(C)ccc2C)C1 ZINC001316994386 1384750358 /nfs/dbraw/zinc/75/03/58/1384750358.db2.gz VZQLJLWJIDWTMN-MRXNPFEDSA-N 1 2 336.863 3.015 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCOc2cc(C)ccc2C)C1 ZINC001316994386 1384750359 /nfs/dbraw/zinc/75/03/59/1384750359.db2.gz VZQLJLWJIDWTMN-MRXNPFEDSA-N 1 2 336.863 3.015 20 30 EGEDLO COC(=O)[C@](C)(Cc1ccccc1)[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172295138 1384762544 /nfs/dbraw/zinc/76/25/44/1384762544.db2.gz AYADBKNQAOIRHV-IERDGZPVSA-N 1 2 336.435 3.253 20 30 EGEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1Cc2cnn(C3CCOCC3)c2C1 ZINC001172311553 1384766279 /nfs/dbraw/zinc/76/62/79/1384766279.db2.gz UMJVVAUZRWDWMH-HNNXBMFYSA-N 1 2 336.439 3.053 20 30 EGEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1Cc2cnn(C3CCOCC3)c2C1 ZINC001172311553 1384766284 /nfs/dbraw/zinc/76/62/84/1384766284.db2.gz UMJVVAUZRWDWMH-HNNXBMFYSA-N 1 2 336.439 3.053 20 30 EGEDLO COC(=O)[C@H]1CCC[C@@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)C1 ZINC001172584900 1384815163 /nfs/dbraw/zinc/81/51/63/1384815163.db2.gz BTTQPXCLJXNMBM-JGVFFNPUSA-N 1 2 339.251 3.141 20 30 EGEDLO C[C@@H]1C[N@@H+](C2CCC(CC#N)CC2)Cc2nnc(C(F)(F)F)n21 ZINC001173336489 1384961250 /nfs/dbraw/zinc/96/12/50/1384961250.db2.gz ARSKHTGDAKZHOP-VOMCLLRMSA-N 1 2 327.354 3.146 20 30 EGEDLO C[C@@H]1C[N@H+](C2CCC(CC#N)CC2)Cc2nnc(C(F)(F)F)n21 ZINC001173336489 1384961255 /nfs/dbraw/zinc/96/12/55/1384961255.db2.gz ARSKHTGDAKZHOP-VOMCLLRMSA-N 1 2 327.354 3.146 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccc2ncccc2c1)C1CC1 ZINC001317556380 1385325736 /nfs/dbraw/zinc/32/57/36/1385325736.db2.gz GZZJVTPQPZPSNR-UHFFFAOYSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccc2ncccc2c1)C1CC1 ZINC001317556380 1385325741 /nfs/dbraw/zinc/32/57/41/1385325741.db2.gz GZZJVTPQPZPSNR-UHFFFAOYSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cnc(-c2ccccc2)[nH]1)C1CC1 ZINC001317558114 1385330889 /nfs/dbraw/zinc/33/08/89/1385330889.db2.gz FHWOSDAUEPVNEW-UHFFFAOYSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cnc(-c2ccccc2)[nH]1)C1CC1 ZINC001317558114 1385330893 /nfs/dbraw/zinc/33/08/93/1385330893.db2.gz FHWOSDAUEPVNEW-UHFFFAOYSA-N 1 2 344.846 3.023 20 30 EGEDLO COc1cc(C#N)c(F)cc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175715407 1385382574 /nfs/dbraw/zinc/38/25/74/1385382574.db2.gz LIOZLBQSTIQKII-UHFFFAOYSA-N 1 2 326.253 3.446 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cnc3ccccn32)C1 ZINC001317761327 1385451016 /nfs/dbraw/zinc/45/10/16/1385451016.db2.gz KAFPDSCBOVMEGL-HNNXBMFYSA-N 1 2 346.862 3.013 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cnc3ccccn32)C1 ZINC001317761327 1385451020 /nfs/dbraw/zinc/45/10/20/1385451020.db2.gz KAFPDSCBOVMEGL-HNNXBMFYSA-N 1 2 346.862 3.013 20 30 EGEDLO O=C(CCn1cc[nH+]c1)NC1=C(c2ccccc2)C(=O)c2ccccc21 ZINC001176883247 1385730509 /nfs/dbraw/zinc/73/05/09/1385730509.db2.gz GOMHXIGHMYDTBT-UHFFFAOYSA-N 1 2 343.386 3.154 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@@H+](Cc3cc(C)cc(C)c3)[C@H]2C1 ZINC001176948896 1385752583 /nfs/dbraw/zinc/75/25/83/1385752583.db2.gz GNHGCLGIGHZXME-VQTJNVASSA-N 1 2 342.483 3.071 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@H+](Cc3cc(C)cc(C)c3)[C@H]2C1 ZINC001176948896 1385752587 /nfs/dbraw/zinc/75/25/87/1385752587.db2.gz GNHGCLGIGHZXME-VQTJNVASSA-N 1 2 342.483 3.071 20 30 EGEDLO CC(C)(C#N)c1ccc(NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)cn1 ZINC001176958127 1385754859 /nfs/dbraw/zinc/75/48/59/1385754859.db2.gz MSXFAWRVOSOZIQ-HNNXBMFYSA-N 1 2 349.438 3.133 20 30 EGEDLO Cc1cc(C#N)c(NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)s1 ZINC001176958226 1385755642 /nfs/dbraw/zinc/75/56/42/1385755642.db2.gz NWGOGKNOCJXHHP-CYBMUJFWSA-N 1 2 326.425 3.178 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCCCC(C)(C)C)C[C@H]21 ZINC001177030880 1385779349 /nfs/dbraw/zinc/77/93/49/1385779349.db2.gz QPRPAYWADLGWAU-MSOLQXFVSA-N 1 2 336.520 3.471 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCCCC(C)(C)C)C[C@H]21 ZINC001177030880 1385779351 /nfs/dbraw/zinc/77/93/51/1385779351.db2.gz QPRPAYWADLGWAU-MSOLQXFVSA-N 1 2 336.520 3.471 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@H]3OCC[N@@H+](CC=C(C)C)[C@@H]3C2)CC1 ZINC001177102538 1385813969 /nfs/dbraw/zinc/81/39/69/1385813969.db2.gz XKRIIMGWDUDFED-QZTJIDSGSA-N 1 2 332.488 3.001 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@H]3OCC[N@H+](CC=C(C)C)[C@@H]3C2)CC1 ZINC001177102538 1385813972 /nfs/dbraw/zinc/81/39/72/1385813972.db2.gz XKRIIMGWDUDFED-QZTJIDSGSA-N 1 2 332.488 3.001 20 30 EGEDLO C=CC1(CC(=O)N2CC[C@@H]3OCC[N@@H+](CC(=C)C)[C@H]3C2)CCCCC1 ZINC001177112602 1385817382 /nfs/dbraw/zinc/81/73/82/1385817382.db2.gz JEOLBCKDIZOULY-OALUTQOASA-N 1 2 346.515 3.391 20 30 EGEDLO C=CC1(CC(=O)N2CC[C@@H]3OCC[N@H+](CC(=C)C)[C@H]3C2)CCCCC1 ZINC001177112602 1385817387 /nfs/dbraw/zinc/81/73/87/1385817387.db2.gz JEOLBCKDIZOULY-OALUTQOASA-N 1 2 346.515 3.391 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C3(CC(C)C)CCCC3)C[C@H]21 ZINC001177113317 1385818102 /nfs/dbraw/zinc/81/81/02/1385818102.db2.gz RYFBSPYYHQSPBY-RTBURBONSA-N 1 2 348.531 3.471 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(CC(C)C)CCCC3)C[C@H]21 ZINC001177113317 1385818108 /nfs/dbraw/zinc/81/81/08/1385818108.db2.gz RYFBSPYYHQSPBY-RTBURBONSA-N 1 2 348.531 3.471 20 30 EGEDLO C=C[C@@H](COC)[NH2+]Cc1csc(COc2ccc(OC)cc2)n1 ZINC001320300129 1386571545 /nfs/dbraw/zinc/57/15/45/1386571545.db2.gz YNXPMJGWSRQGGP-ZDUSSCGKSA-N 1 2 334.441 3.021 20 30 EGEDLO Cc1coc(NC(=O)C23CC(C2)CC[N@@H+]3Cc2ccccc2)c1C#N ZINC001181486593 1387002474 /nfs/dbraw/zinc/00/24/74/1387002474.db2.gz URXAGDCNFYBHBI-UHFFFAOYSA-N 1 2 335.407 3.453 20 30 EGEDLO Cc1coc(NC(=O)C23CC(C2)CC[N@H+]3Cc2ccccc2)c1C#N ZINC001181486593 1387002480 /nfs/dbraw/zinc/00/24/80/1387002480.db2.gz URXAGDCNFYBHBI-UHFFFAOYSA-N 1 2 335.407 3.453 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCOc1ccc(C)c(C)c1 ZINC001322169534 1387086039 /nfs/dbraw/zinc/08/60/39/1387086039.db2.gz QBGUDICAXYDMOO-INIZCTEOSA-N 1 2 338.879 3.261 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCOc1ccc(C)c(C)c1 ZINC001322169534 1387086044 /nfs/dbraw/zinc/08/60/44/1387086044.db2.gz QBGUDICAXYDMOO-INIZCTEOSA-N 1 2 338.879 3.261 20 30 EGEDLO C[N@H+](Cc1ccccc1)[C@@H](C(=O)Nc1c[nH]nc1C#N)c1ccccc1 ZINC001182236106 1387129138 /nfs/dbraw/zinc/12/91/38/1387129138.db2.gz HVZVQRYRLSKVCZ-LJQANCHMSA-N 1 2 345.406 3.093 20 30 EGEDLO C[N@@H+](Cc1ccccc1)[C@@H](C(=O)Nc1c[nH]nc1C#N)c1ccccc1 ZINC001182236106 1387129141 /nfs/dbraw/zinc/12/91/41/1387129141.db2.gz HVZVQRYRLSKVCZ-LJQANCHMSA-N 1 2 345.406 3.093 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnn(C2CCCCC2)c1 ZINC001329591760 1389170927 /nfs/dbraw/zinc/17/09/27/1389170927.db2.gz FQGXMIFRBQZDPT-AWEZNQCLSA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnn(C2CCCCC2)c1 ZINC001329591760 1389170931 /nfs/dbraw/zinc/17/09/31/1389170931.db2.gz FQGXMIFRBQZDPT-AWEZNQCLSA-N 1 2 338.883 3.191 20 30 EGEDLO Cn1c[nH+]cc1C1CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC001339376080 1390011912 /nfs/dbraw/zinc/01/19/12/1390011912.db2.gz SCXRBWGOLPAMPB-SFHVURJKSA-N 1 2 336.439 3.214 20 30 EGEDLO CC[C@H]1[C@H](C)CCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CC ZINC001340152999 1390237643 /nfs/dbraw/zinc/23/76/43/1390237643.db2.gz WMEXICMVOZLWLR-WBVHZDCISA-N 1 2 344.507 3.016 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC001340263735 1390260695 /nfs/dbraw/zinc/26/06/95/1390260695.db2.gz HKKVMCHRLOFWHX-BBWFWOEESA-N 1 2 329.492 3.247 20 30 EGEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC001340263735 1390260698 /nfs/dbraw/zinc/26/06/98/1390260698.db2.gz HKKVMCHRLOFWHX-BBWFWOEESA-N 1 2 329.492 3.247 20 30 EGEDLO COc1ccccc1-c1nnc(C[NH2+][C@H](C)c2cccc(C#N)c2)o1 ZINC001333614773 1390355300 /nfs/dbraw/zinc/35/53/00/1390355300.db2.gz OFOPARZWEXZGBV-CYBMUJFWSA-N 1 2 334.379 3.468 20 30 EGEDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Cl)c(F)c1 ZINC001341457746 1390489606 /nfs/dbraw/zinc/48/96/06/1390489606.db2.gz XXOHGKQQXFGVRH-MGPLVRAMSA-N 1 2 331.778 3.228 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1nccs1 ZINC001342224115 1390587598 /nfs/dbraw/zinc/58/75/98/1390587598.db2.gz DGHKNBGOHPAJEY-CQSZACIVSA-N 1 2 346.504 3.104 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)Cc1nccs1 ZINC001342224115 1390587602 /nfs/dbraw/zinc/58/76/02/1390587602.db2.gz DGHKNBGOHPAJEY-CQSZACIVSA-N 1 2 346.504 3.104 20 30 EGEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001342234710 1390588896 /nfs/dbraw/zinc/58/88/96/1390588896.db2.gz ZKKKTPDIRQMSIZ-HOTGVXAUSA-N 1 2 349.548 3.170 20 30 EGEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@@H]1CSC ZINC001342340979 1390602841 /nfs/dbraw/zinc/60/28/41/1390602841.db2.gz IWFUWLBXXZJIGY-MRXNPFEDSA-N 1 2 349.548 3.172 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@H](c2ccco2)C1 ZINC001343553377 1390722292 /nfs/dbraw/zinc/72/22/92/1390722292.db2.gz HCHXROJJIWLKGN-JKSUJKDBSA-N 1 2 341.459 3.208 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@H](c2ccco2)C1 ZINC001343553377 1390722293 /nfs/dbraw/zinc/72/22/93/1390722293.db2.gz HCHXROJJIWLKGN-JKSUJKDBSA-N 1 2 341.459 3.208 20 30 EGEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@](C)(CC)C1 ZINC001345993366 1390899397 /nfs/dbraw/zinc/89/93/97/1390899397.db2.gz AYKPITMLJIGNLH-IBGZPJMESA-N 1 2 342.491 3.195 20 30 EGEDLO N#CCc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)c1 ZINC001348019794 1391160233 /nfs/dbraw/zinc/16/02/33/1391160233.db2.gz GCPWQTBPLPBAPT-LJQANCHMSA-N 1 2 334.423 3.141 20 30 EGEDLO N#CCc1cccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)c1 ZINC001348019794 1391160236 /nfs/dbraw/zinc/16/02/36/1391160236.db2.gz GCPWQTBPLPBAPT-LJQANCHMSA-N 1 2 334.423 3.141 20 30 EGEDLO CCC[C@H](CC)C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001479967286 1392502975 /nfs/dbraw/zinc/50/29/75/1392502975.db2.gz WZMVYTQEXMDOLZ-DOTOQJQBSA-N 1 2 331.435 3.214 20 30 EGEDLO CCC[C@H](CC)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001479967286 1392502977 /nfs/dbraw/zinc/50/29/77/1392502977.db2.gz WZMVYTQEXMDOLZ-DOTOQJQBSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)c1ccoc1CC ZINC001481133444 1393128920 /nfs/dbraw/zinc/12/89/20/1393128920.db2.gz BKUDDQXSXXMQRN-UHFFFAOYSA-N 1 2 343.265 3.192 20 30 EGEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1ccoc1CC ZINC001481133444 1393128921 /nfs/dbraw/zinc/12/89/21/1393128921.db2.gz BKUDDQXSXXMQRN-UHFFFAOYSA-N 1 2 343.265 3.192 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2ccc(N(C)C)cc2)C1 ZINC001481410901 1394269715 /nfs/dbraw/zinc/26/97/15/1394269715.db2.gz PYFOBZUOLLOVPL-GOSISDBHSA-N 1 2 349.906 3.432 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccc(N(C)C)cc2)C1 ZINC001481410901 1394269719 /nfs/dbraw/zinc/26/97/19/1394269719.db2.gz PYFOBZUOLLOVPL-GOSISDBHSA-N 1 2 349.906 3.432 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CCc2c1cccc2Cl ZINC001690963525 1404872401 /nfs/dbraw/zinc/87/24/01/1404872401.db2.gz ZDHULQSOIZKAPV-AWEZNQCLSA-N 1 2 327.255 3.170 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CCc2c1cccc2Cl ZINC001690963525 1404872409 /nfs/dbraw/zinc/87/24/09/1404872409.db2.gz ZDHULQSOIZKAPV-AWEZNQCLSA-N 1 2 327.255 3.170 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccc(Cl)c(OC)c1)C1CC1 ZINC001691228368 1405167752 /nfs/dbraw/zinc/16/77/52/1405167752.db2.gz TUBHIDCSRGVOOF-UHFFFAOYSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccc(Cl)c(OC)c1)C1CC1 ZINC001691228368 1405167755 /nfs/dbraw/zinc/16/77/55/1405167755.db2.gz TUBHIDCSRGVOOF-UHFFFAOYSA-N 1 2 343.254 3.295 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cc1c[nH]c2cccc(C)c12)C1CC1 ZINC001691232769 1405172403 /nfs/dbraw/zinc/17/24/03/1405172403.db2.gz KMTILKZCMVKSMJ-UHFFFAOYSA-N 1 2 345.874 3.352 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)Cc1c[nH]c2cccc(C)c12)C1CC1 ZINC001691232769 1405172405 /nfs/dbraw/zinc/17/24/05/1405172405.db2.gz KMTILKZCMVKSMJ-UHFFFAOYSA-N 1 2 345.874 3.352 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)C1(c2ccccc2F)CC1)C1CC1 ZINC001691233089 1405173190 /nfs/dbraw/zinc/17/31/90/1405173190.db2.gz XNTULSFZFOEKRO-UHFFFAOYSA-N 1 2 336.838 3.190 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)C1(c2ccccc2F)CC1)C1CC1 ZINC001691233089 1405173192 /nfs/dbraw/zinc/17/31/92/1405173192.db2.gz XNTULSFZFOEKRO-UHFFFAOYSA-N 1 2 336.838 3.190 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CCC)C(=O)C2=CCCC2)C1 ZINC001691849240 1405564893 /nfs/dbraw/zinc/56/48/93/1405564893.db2.gz NXBFMVIDSWSOGT-OAHLLOKOSA-N 1 2 341.293 3.318 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CCC)C(=O)C2=CCCC2)C1 ZINC001691849240 1405564896 /nfs/dbraw/zinc/56/48/96/1405564896.db2.gz NXBFMVIDSWSOGT-OAHLLOKOSA-N 1 2 341.293 3.318 20 30 EGEDLO CCC1(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)CCCC1 ZINC001692342609 1405962119 /nfs/dbraw/zinc/96/21/19/1405962119.db2.gz YDMXZNZYQUAXTR-UHFFFAOYSA-N 1 2 343.446 3.216 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccncc2Cl)C1 ZINC001713061234 1417617401 /nfs/dbraw/zinc/61/74/01/1417617401.db2.gz YCYMDWFCCDWANU-OAHLLOKOSA-N 1 2 335.879 3.418 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccncc2Cl)C1 ZINC001713061234 1417617405 /nfs/dbraw/zinc/61/74/05/1417617405.db2.gz YCYMDWFCCDWANU-OAHLLOKOSA-N 1 2 335.879 3.418 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2c(C)nsc2C)C1 ZINC001713722709 1418498004 /nfs/dbraw/zinc/49/80/04/1418498004.db2.gz SFEIWKVXTKOZHH-CQSZACIVSA-N 1 2 341.908 3.439 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2c(C)nsc2C)C1 ZINC001713722709 1418498006 /nfs/dbraw/zinc/49/80/06/1418498006.db2.gz SFEIWKVXTKOZHH-CQSZACIVSA-N 1 2 341.908 3.439 20 30 EGEDLO Cc1ccc(C)c(C(=O)NCC[N@@H+](C)Cc2cc(C#N)ccc2F)c1 ZINC001714570947 1419302203 /nfs/dbraw/zinc/30/22/03/1419302203.db2.gz NYPJZQBYIBIECZ-UHFFFAOYSA-N 1 2 339.414 3.176 20 30 EGEDLO Cc1ccc(C)c(C(=O)NCC[N@H+](C)Cc2cc(C#N)ccc2F)c1 ZINC001714570947 1419302206 /nfs/dbraw/zinc/30/22/06/1419302206.db2.gz NYPJZQBYIBIECZ-UHFFFAOYSA-N 1 2 339.414 3.176 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccc(F)c(Cl)c1)C1CC1 ZINC001714668651 1419457628 /nfs/dbraw/zinc/45/76/28/1419457628.db2.gz GVRNSOISJPHPGR-UHFFFAOYSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccc(F)c(Cl)c1)C1CC1 ZINC001714668651 1419457632 /nfs/dbraw/zinc/45/76/32/1419457632.db2.gz GVRNSOISJPHPGR-UHFFFAOYSA-N 1 2 331.218 3.426 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)COc2ccc(Cl)cc2)C1 ZINC001715030781 1419763165 /nfs/dbraw/zinc/76/31/65/1419763165.db2.gz IPTOZZMTGYZUKS-AWEZNQCLSA-N 1 2 343.254 3.004 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)COc2ccc(Cl)cc2)C1 ZINC001715030781 1419763167 /nfs/dbraw/zinc/76/31/67/1419763167.db2.gz IPTOZZMTGYZUKS-AWEZNQCLSA-N 1 2 343.254 3.004 20 30 EGEDLO C[C@@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F)C(C)(C)C ZINC001715520709 1420207230 /nfs/dbraw/zinc/20/72/30/1420207230.db2.gz BLGITRHECFIULL-AWEZNQCLSA-N 1 2 333.451 3.270 20 30 EGEDLO C[C@@H](C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(C)(C)C ZINC001715520709 1420207233 /nfs/dbraw/zinc/20/72/33/1420207233.db2.gz BLGITRHECFIULL-AWEZNQCLSA-N 1 2 333.451 3.270 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1csc(-c2ccoc2)n1 ZINC001716499587 1420725350 /nfs/dbraw/zinc/72/53/50/1420725350.db2.gz KEQNUMFPMREJEU-NSHDSACASA-N 1 2 339.848 3.206 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1csc(-c2ccoc2)n1 ZINC001716499587 1420725351 /nfs/dbraw/zinc/72/53/51/1420725351.db2.gz KEQNUMFPMREJEU-NSHDSACASA-N 1 2 339.848 3.206 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2(CCC)CC2)C[C@@H]1C ZINC001717337687 1421275165 /nfs/dbraw/zinc/27/51/65/1421275165.db2.gz MICZOTSNHNKTKJ-KBPBESRZSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2(CCC)CC2)C[C@@H]1C ZINC001717337687 1421275167 /nfs/dbraw/zinc/27/51/67/1421275167.db2.gz MICZOTSNHNKTKJ-KBPBESRZSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC2(CC2)C1 ZINC001717370178 1421307830 /nfs/dbraw/zinc/30/78/30/1421307830.db2.gz CNXXLAHZIUZJML-AWEZNQCLSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CC2(CC2)C1 ZINC001717370178 1421307831 /nfs/dbraw/zinc/30/78/31/1421307831.db2.gz CNXXLAHZIUZJML-AWEZNQCLSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnn(CCC(C)C)c1C ZINC001717494161 1421433887 /nfs/dbraw/zinc/43/38/87/1421433887.db2.gz FOAILXBTFHTUHW-AWEZNQCLSA-N 1 2 340.899 3.040 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnn(CCC(C)C)c1C ZINC001717494161 1421433890 /nfs/dbraw/zinc/43/38/90/1421433890.db2.gz FOAILXBTFHTUHW-AWEZNQCLSA-N 1 2 340.899 3.040 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc(OC2CCC2)cc1 ZINC001725195762 1425749244 /nfs/dbraw/zinc/74/92/44/1425749244.db2.gz PGONOTKOXPYKQR-CQSZACIVSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccc(OC2CCC2)cc1 ZINC001725195762 1425749248 /nfs/dbraw/zinc/74/92/48/1425749248.db2.gz PGONOTKOXPYKQR-CQSZACIVSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cc(C)n(C(CC)CC)n1 ZINC001734047148 1437835783 /nfs/dbraw/zinc/83/57/83/1437835783.db2.gz YKPSHCUZDXHASK-AWEZNQCLSA-N 1 2 340.899 3.355 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cc(C)n(C(CC)CC)n1 ZINC001734047148 1437835786 /nfs/dbraw/zinc/83/57/86/1437835786.db2.gz YKPSHCUZDXHASK-AWEZNQCLSA-N 1 2 340.899 3.355 20 30 EGEDLO C=C(Br)C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001752015013 1440132527 /nfs/dbraw/zinc/13/25/27/1440132527.db2.gz LLYGUFIITSBVNI-CHWSQXEVSA-N 1 2 331.298 3.015 20 30 EGEDLO C=C(Br)C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001752015013 1440132528 /nfs/dbraw/zinc/13/25/28/1440132528.db2.gz LLYGUFIITSBVNI-CHWSQXEVSA-N 1 2 331.298 3.015 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N(C)C1CC[NH+]([C@H](C)c2nnc(CC)o2)CC1 ZINC001752303662 1440168328 /nfs/dbraw/zinc/16/83/28/1440168328.db2.gz FNYFWJYXVPEUBS-CABCVRRESA-N 1 2 348.491 3.218 20 30 EGEDLO C=CCC1(C(=O)N(C)C2CC[NH+]([C@H](C)c3nnc(C)o3)CC2)CCC1 ZINC001752307602 1440168634 /nfs/dbraw/zinc/16/86/34/1440168634.db2.gz AGMGRTWKTYNWAY-CQSZACIVSA-N 1 2 346.475 3.108 20 30 EGEDLO C=CCC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1csnn1 ZINC001752698277 1440201362 /nfs/dbraw/zinc/20/13/62/1440201362.db2.gz GDTDZQRIVCMIEE-AVOUXACISA-N 1 2 348.516 3.313 20 30 EGEDLO C=CCC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1csnn1 ZINC001752698277 1440201363 /nfs/dbraw/zinc/20/13/63/1440201363.db2.gz GDTDZQRIVCMIEE-AVOUXACISA-N 1 2 348.516 3.313 20 30 EGEDLO CC(C)c1ocnc1C[N@@H+]1CCCC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001752818484 1440219119 /nfs/dbraw/zinc/21/91/19/1440219119.db2.gz DBYSZHAIPPWOLW-INIZCTEOSA-N 1 2 345.487 3.318 20 30 EGEDLO CC(C)c1ocnc1C[N@H+]1CCCC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001752818484 1440219120 /nfs/dbraw/zinc/21/91/20/1440219120.db2.gz DBYSZHAIPPWOLW-INIZCTEOSA-N 1 2 345.487 3.318 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(C)on1 ZINC001752820247 1440219968 /nfs/dbraw/zinc/21/99/68/1440219968.db2.gz KTASGONWVGBPKP-SFHVURJKSA-N 1 2 331.460 3.037 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(C)on1 ZINC001752820247 1440219969 /nfs/dbraw/zinc/21/99/69/1440219969.db2.gz KTASGONWVGBPKP-SFHVURJKSA-N 1 2 331.460 3.037 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1csnn1 ZINC001752833661 1440226433 /nfs/dbraw/zinc/22/64/33/1440226433.db2.gz IIDCIHGAFXGWMC-DLBZAZTESA-N 1 2 348.516 3.240 20 30 EGEDLO C=CCCCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1csnn1 ZINC001752833661 1440226434 /nfs/dbraw/zinc/22/64/34/1440226434.db2.gz IIDCIHGAFXGWMC-DLBZAZTESA-N 1 2 348.516 3.240 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ncc(CC)o2)C1 ZINC001752992660 1440260047 /nfs/dbraw/zinc/26/00/47/1440260047.db2.gz QQIJJSAJPUICKJ-HNNXBMFYSA-N 1 2 333.476 3.262 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]([N@H+](C)Cc2ncc(CC)o2)C1 ZINC001752992660 1440260048 /nfs/dbraw/zinc/26/00/48/1440260048.db2.gz QQIJJSAJPUICKJ-HNNXBMFYSA-N 1 2 333.476 3.262 20 30 EGEDLO C#CCCCCCC(=O)NC[C@H]1CCC[N@H+]1Cc1cccc(Cl)n1 ZINC001753110175 1440308170 /nfs/dbraw/zinc/30/81/70/1440308170.db2.gz XXSSBZVSYXMHCG-QGZVFWFLSA-N 1 2 347.890 3.399 20 30 EGEDLO C#CCCCCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1cccc(Cl)n1 ZINC001753110175 1440308171 /nfs/dbraw/zinc/30/81/71/1440308171.db2.gz XXSSBZVSYXMHCG-QGZVFWFLSA-N 1 2 347.890 3.399 20 30 EGEDLO C=C[C@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1nocc1C)c1ccccc1 ZINC001753114167 1440310366 /nfs/dbraw/zinc/31/03/66/1440310366.db2.gz CXVZNLWGDZMMDY-MSOLQXFVSA-N 1 2 339.439 3.033 20 30 EGEDLO C=C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1nocc1C)c1ccccc1 ZINC001753114167 1440310367 /nfs/dbraw/zinc/31/03/67/1440310367.db2.gz CXVZNLWGDZMMDY-MSOLQXFVSA-N 1 2 339.439 3.033 20 30 EGEDLO C#Cc1ccc(C(=O)NCC[N@@H+](CCC)Cc2csc(C)n2)cc1 ZINC001753146302 1440324802 /nfs/dbraw/zinc/32/48/02/1440324802.db2.gz PXUNXGHGZQQNHM-UHFFFAOYSA-N 1 2 341.480 3.075 20 30 EGEDLO C#Cc1ccc(C(=O)NCC[N@H+](CCC)Cc2csc(C)n2)cc1 ZINC001753146302 1440324803 /nfs/dbraw/zinc/32/48/03/1440324803.db2.gz PXUNXGHGZQQNHM-UHFFFAOYSA-N 1 2 341.480 3.075 20 30 EGEDLO C=C1CCC(C(=O)NCC[N@@H+](CCC)[C@H](C)c2ncccn2)CC1 ZINC001753148184 1440325660 /nfs/dbraw/zinc/32/56/60/1440325660.db2.gz UZMNRZILVPVABC-MRXNPFEDSA-N 1 2 330.476 3.112 20 30 EGEDLO C=C1CCC(C(=O)NCC[N@H+](CCC)[C@H](C)c2ncccn2)CC1 ZINC001753148184 1440325661 /nfs/dbraw/zinc/32/56/61/1440325661.db2.gz UZMNRZILVPVABC-MRXNPFEDSA-N 1 2 330.476 3.112 20 30 EGEDLO CC(C)[C@@H](C)C(=O)NCC[N@H+](Cc1cc(F)ccc1C#N)C1CC1 ZINC001753160888 1440333559 /nfs/dbraw/zinc/33/35/59/1440333559.db2.gz FIXCFNKMTHNOAX-CQSZACIVSA-N 1 2 331.435 3.070 20 30 EGEDLO CC(C)[C@@H](C)C(=O)NCC[N@@H+](Cc1cc(F)ccc1C#N)C1CC1 ZINC001753160888 1440333560 /nfs/dbraw/zinc/33/35/60/1440333560.db2.gz FIXCFNKMTHNOAX-CQSZACIVSA-N 1 2 331.435 3.070 20 30 EGEDLO C[C@H](C(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1)C1CCCC1 ZINC001753162118 1440334380 /nfs/dbraw/zinc/33/43/80/1440334380.db2.gz XVMPHAXRQCDISR-INIZCTEOSA-N 1 2 339.483 3.465 20 30 EGEDLO C[C@H](C(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1)C1CCCC1 ZINC001753162118 1440334381 /nfs/dbraw/zinc/33/43/81/1440334381.db2.gz XVMPHAXRQCDISR-INIZCTEOSA-N 1 2 339.483 3.465 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@H]([NH2+]Cc2cnc(C)o2)c2ccccc2)C1 ZINC001753301887 1440354220 /nfs/dbraw/zinc/35/42/20/1440354220.db2.gz QBKWHNWMPOBRFD-SFHVURJKSA-N 1 2 339.439 3.286 20 30 EGEDLO CCCN(C(=O)C#CC1CC1)[C@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC001753315809 1440359478 /nfs/dbraw/zinc/35/94/78/1440359478.db2.gz GLKXUYWCPQKUEY-SFHVURJKSA-N 1 2 346.421 3.191 20 30 EGEDLO CCCN(C(=O)C#CC1CC1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001753315809 1440359479 /nfs/dbraw/zinc/35/94/79/1440359479.db2.gz GLKXUYWCPQKUEY-SFHVURJKSA-N 1 2 346.421 3.191 20 30 EGEDLO CCCN(C(=O)C#CC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccns2)C1 ZINC001753316707 1440360072 /nfs/dbraw/zinc/36/00/72/1440360072.db2.gz YKZBYLVDSBCVKX-OAHLLOKOSA-N 1 2 333.501 3.006 20 30 EGEDLO CCCN(C(=O)C#CC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001753316707 1440360073 /nfs/dbraw/zinc/36/00/73/1440360073.db2.gz YKZBYLVDSBCVKX-OAHLLOKOSA-N 1 2 333.501 3.006 20 30 EGEDLO CC#CCCCC(=O)N(CCC)[C@H]1CC[N@@H+]([C@H](C)c2ncccn2)C1 ZINC001753318896 1440361665 /nfs/dbraw/zinc/36/16/65/1440361665.db2.gz SGVRWIBUFQLRHS-MSOLQXFVSA-N 1 2 342.487 3.044 20 30 EGEDLO CC#CCCCC(=O)N(CCC)[C@H]1CC[N@H+]([C@H](C)c2ncccn2)C1 ZINC001753318896 1440361666 /nfs/dbraw/zinc/36/16/66/1440361666.db2.gz SGVRWIBUFQLRHS-MSOLQXFVSA-N 1 2 342.487 3.044 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC2(C[NH+](Cc3ncc(C)s3)C2)CC1 ZINC001753673390 1440462775 /nfs/dbraw/zinc/46/27/75/1440462775.db2.gz HVXYVDYGHDJCDZ-UHFFFAOYSA-N 1 2 347.528 3.478 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC2(C[NH+]([C@@H](C)c3ncccn3)C2)CC1 ZINC001753675283 1440463210 /nfs/dbraw/zinc/46/32/10/1440463210.db2.gz YMLLHNISCOVDES-INIZCTEOSA-N 1 2 342.487 3.064 20 30 EGEDLO CN(CC[N@H+](C)CC#Cc1ccc(F)cc1)C(=O)CC1CCCC1 ZINC001753848164 1440505715 /nfs/dbraw/zinc/50/57/15/1440505715.db2.gz VDRCKUBNEIRYPK-UHFFFAOYSA-N 1 2 330.447 3.148 20 30 EGEDLO CN(CC[N@@H+](C)CC#Cc1ccc(F)cc1)C(=O)CC1CCCC1 ZINC001753848164 1440505716 /nfs/dbraw/zinc/50/57/16/1440505716.db2.gz VDRCKUBNEIRYPK-UHFFFAOYSA-N 1 2 330.447 3.148 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)COc1cccc(C(C)C)c1 ZINC001753853828 1440507861 /nfs/dbraw/zinc/50/78/61/1440507861.db2.gz MOFUMCHOXGLFRA-UHFFFAOYSA-N 1 2 338.879 3.332 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)COc1cccc(C(C)C)c1 ZINC001753853828 1440507862 /nfs/dbraw/zinc/50/78/62/1440507862.db2.gz MOFUMCHOXGLFRA-UHFFFAOYSA-N 1 2 338.879 3.332 20 30 EGEDLO C[C@@H]1CCC[C@H]1CC(=O)N(C)CC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001753853924 1440508005 /nfs/dbraw/zinc/50/80/05/1440508005.db2.gz PYUCZWASDMHRCD-WBVHZDCISA-N 1 2 345.462 3.414 20 30 EGEDLO C[C@@H]1CCC[C@H]1CC(=O)N(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001753853924 1440508006 /nfs/dbraw/zinc/50/80/06/1440508006.db2.gz PYUCZWASDMHRCD-WBVHZDCISA-N 1 2 345.462 3.414 20 30 EGEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)C[C@H]1C=CCCC1 ZINC001753855824 1440508947 /nfs/dbraw/zinc/50/89/47/1440508947.db2.gz KQGRHIZOTKXTJY-INIZCTEOSA-N 1 2 343.446 3.334 20 30 EGEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)C[C@H]1C=CCCC1 ZINC001753855824 1440508948 /nfs/dbraw/zinc/50/89/48/1440508948.db2.gz KQGRHIZOTKXTJY-INIZCTEOSA-N 1 2 343.446 3.334 20 30 EGEDLO C[C@H]1CC[C@@H](CC(=O)N(C)CC[N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001753861038 1440511521 /nfs/dbraw/zinc/51/15/21/1440511521.db2.gz RTJKXAFTKRFDMH-JKSUJKDBSA-N 1 2 345.462 3.414 20 30 EGEDLO C[C@H]1CC[C@@H](CC(=O)N(C)CC[N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001753861038 1440511522 /nfs/dbraw/zinc/51/15/22/1440511522.db2.gz RTJKXAFTKRFDMH-JKSUJKDBSA-N 1 2 345.462 3.414 20 30 EGEDLO C=CCC1(C(=O)NC/C=C/C[NH2+][C@H](C)c2nnc(C)o2)CCCCC1 ZINC001754209313 1440551029 /nfs/dbraw/zinc/55/10/29/1440551029.db2.gz GPHGBYWTSBTAOE-XVJNWHFHSA-N 1 2 346.475 3.228 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N(C)C1C[NH+](CCOc2ccccc2C)C1 ZINC001754581701 1440638833 /nfs/dbraw/zinc/63/88/33/1440638833.db2.gz HTERQDUNSBNCFX-KRWDZBQOSA-N 1 2 330.472 3.119 20 30 EGEDLO CCC[C@H](C)C(=O)N[C@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001754668783 1440657366 /nfs/dbraw/zinc/65/73/66/1440657366.db2.gz RZFCAOCUXCMPNY-IFXJQAMLSA-N 1 2 331.435 3.214 20 30 EGEDLO CCC[C@H](C)C(=O)N[C@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001754668783 1440657367 /nfs/dbraw/zinc/65/73/67/1440657367.db2.gz RZFCAOCUXCMPNY-IFXJQAMLSA-N 1 2 331.435 3.214 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@]1(C)CC[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001754678562 1440661283 /nfs/dbraw/zinc/66/12/83/1440661283.db2.gz TWRWCFZGNWWRJH-LPHOPBHVSA-N 1 2 332.492 3.147 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001754678562 1440661284 /nfs/dbraw/zinc/66/12/84/1440661284.db2.gz TWRWCFZGNWWRJH-LPHOPBHVSA-N 1 2 332.492 3.147 20 30 EGEDLO CCCCCCC[N@@H+]1CCOC[C@H]1CNC(=O)c1occc1Cl ZINC001754971304 1440718866 /nfs/dbraw/zinc/71/88/66/1440718866.db2.gz KPEPZBSMDNRQGE-CQSZACIVSA-N 1 2 342.867 3.334 20 30 EGEDLO CCCCCCC[N@H+]1CCOC[C@H]1CNC(=O)c1occc1Cl ZINC001754971304 1440718867 /nfs/dbraw/zinc/71/88/67/1440718867.db2.gz KPEPZBSMDNRQGE-CQSZACIVSA-N 1 2 342.867 3.334 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2csnn2)CC1 ZINC001755025402 1440728726 /nfs/dbraw/zinc/72/87/26/1440728726.db2.gz UCOGQHRTGGRRTN-UONOGXRCSA-N 1 2 336.505 3.172 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2csnn2)CC1 ZINC001755025402 1440728727 /nfs/dbraw/zinc/72/87/27/1440728727.db2.gz UCOGQHRTGGRRTN-UONOGXRCSA-N 1 2 336.505 3.172 20 30 EGEDLO C=CC1(CC(=O)N[C@H]2COC3(C[NH+](CC(=C)C)C3)C2)CCCCC1 ZINC001755063423 1440744641 /nfs/dbraw/zinc/74/46/41/1440744641.db2.gz KMCMJIPBOORAEG-QGZVFWFLSA-N 1 2 332.488 3.049 20 30 EGEDLO CC(C)CC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H](C)C1 ZINC001755157539 1440763645 /nfs/dbraw/zinc/76/36/45/1440763645.db2.gz JIRLPJJHAYXFDO-KSSFIOAISA-N 1 2 331.435 3.213 20 30 EGEDLO CC(C)CC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H](C)C1 ZINC001755157539 1440763646 /nfs/dbraw/zinc/76/36/46/1440763646.db2.gz JIRLPJJHAYXFDO-KSSFIOAISA-N 1 2 331.435 3.213 20 30 EGEDLO CC(C)=CC(=O)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H](C)C1 ZINC001755157741 1440763660 /nfs/dbraw/zinc/76/36/60/1440763660.db2.gz MCYUPEACJHDAAL-KBXCAEBGSA-N 1 2 329.419 3.133 20 30 EGEDLO CC(C)=CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H](C)C1 ZINC001755157741 1440763661 /nfs/dbraw/zinc/76/36/61/1440763661.db2.gz MCYUPEACJHDAAL-KBXCAEBGSA-N 1 2 329.419 3.133 20 30 EGEDLO CC(C)C(=O)NC[C@@H]1c2ccccc2CC[N@H+]1CC#Cc1ccccc1 ZINC001755171734 1440769060 /nfs/dbraw/zinc/76/90/60/1440769060.db2.gz CCHQRUNNKGWEAA-JOCHJYFZSA-N 1 2 346.474 3.410 20 30 EGEDLO CC(C)C(=O)NC[C@@H]1c2ccccc2CC[N@@H+]1CC#Cc1ccccc1 ZINC001755171734 1440769061 /nfs/dbraw/zinc/76/90/61/1440769061.db2.gz CCHQRUNNKGWEAA-JOCHJYFZSA-N 1 2 346.474 3.410 20 30 EGEDLO C=CCCC(=O)N1CCC[C@@H]1C[N@@H+](C)[C@H](C)c1nc(C(C)C)no1 ZINC001755189862 1440774238 /nfs/dbraw/zinc/77/42/38/1440774238.db2.gz UQCVVDUGNYLJCW-HUUCEWRRSA-N 1 2 334.464 3.143 20 30 EGEDLO C=CCCC(=O)N1CCC[C@@H]1C[N@H+](C)[C@H](C)c1nc(C(C)C)no1 ZINC001755189862 1440774239 /nfs/dbraw/zinc/77/42/39/1440774239.db2.gz UQCVVDUGNYLJCW-HUUCEWRRSA-N 1 2 334.464 3.143 20 30 EGEDLO C=CCC1(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2nnc(C3CC3)o2)CCCC1 ZINC001755271233 1440797683 /nfs/dbraw/zinc/79/76/83/1440797683.db2.gz ZIQCQIZCOLBJFW-KBPBESRZSA-N 1 2 346.475 3.066 20 30 EGEDLO C=CCC1(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccn(C(C)C)n2)CCC1 ZINC001755315559 1440815617 /nfs/dbraw/zinc/81/56/17/1440815617.db2.gz SAKGPPDBCJESTC-INIZCTEOSA-N 1 2 332.492 3.147 20 30 EGEDLO C=CCC1(C(=O)NC[C@H](C)[N@H+](C)Cc2ccn(C(C)C)n2)CCC1 ZINC001755315559 1440815618 /nfs/dbraw/zinc/81/56/18/1440815618.db2.gz SAKGPPDBCJESTC-INIZCTEOSA-N 1 2 332.492 3.147 20 30 EGEDLO C=C(Cl)C[NH2+]C[C@@H](CCCC)NC(=O)c1n[nH]c2ccccc21 ZINC001755361386 1440831859 /nfs/dbraw/zinc/83/18/59/1440831859.db2.gz RULPRWYAFZVMOF-CYBMUJFWSA-N 1 2 334.851 3.194 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@]2(C1)C[N@H+](Cc1ccsc1)CCO2 ZINC001755400736 1440842819 /nfs/dbraw/zinc/84/28/19/1440842819.db2.gz ADJZXINDLNMRKH-LJQANCHMSA-N 1 2 348.512 3.154 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@]2(C1)C[N@@H+](Cc1ccsc1)CCO2 ZINC001755400736 1440842820 /nfs/dbraw/zinc/84/28/20/1440842820.db2.gz ADJZXINDLNMRKH-LJQANCHMSA-N 1 2 348.512 3.154 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1C[N@@H+]([C@H](C)c2ncccn2)CC1(C)C ZINC001755409290 1440845623 /nfs/dbraw/zinc/84/56/23/1440845623.db2.gz YQABSAOLNMKPFF-WBVHZDCISA-N 1 2 342.487 3.133 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1C[N@H+]([C@H](C)c2ncccn2)CC1(C)C ZINC001755409290 1440845624 /nfs/dbraw/zinc/84/56/24/1440845624.db2.gz YQABSAOLNMKPFF-WBVHZDCISA-N 1 2 342.487 3.133 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@H]([NH2+]Cc2nc(CCCC)no2)C[C@H]1C ZINC001755676897 1440894755 /nfs/dbraw/zinc/89/47/55/1440894755.db2.gz SNRVRIQOLVEMBX-HUUCEWRRSA-N 1 2 348.491 3.094 20 30 EGEDLO C=C(C)CCC(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1nnc(CC)s1)CC2 ZINC001755702230 1440900694 /nfs/dbraw/zinc/90/06/94/1440900694.db2.gz OTLJLOLYZRTVCB-RDTXWAMCSA-N 1 2 348.516 3.070 20 30 EGEDLO C=C(C)CCC(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1nnc(CC)s1)CC2 ZINC001755702230 1440900695 /nfs/dbraw/zinc/90/06/95/1440900695.db2.gz OTLJLOLYZRTVCB-RDTXWAMCSA-N 1 2 348.516 3.070 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)CCC2(C)CC2)[C@H]1C ZINC001755721091 1440907317 /nfs/dbraw/zinc/90/73/17/1440907317.db2.gz LNLKMTRTBPKUSF-ZIAGYGMSSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)CCC2(C)CC2)[C@H]1C ZINC001755721091 1440907318 /nfs/dbraw/zinc/90/73/18/1440907318.db2.gz LNLKMTRTBPKUSF-ZIAGYGMSSA-N 1 2 343.309 3.444 20 30 EGEDLO C[C@H]1[C@@H](NC(=O)CCC2CC2)CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001755725356 1440909198 /nfs/dbraw/zinc/90/91/98/1440909198.db2.gz GKZXCBRGILKPHG-LIRRHRJNSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@H]1[C@@H](NC(=O)CCC2CC2)CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001755725356 1440909199 /nfs/dbraw/zinc/90/91/99/1440909199.db2.gz GKZXCBRGILKPHG-LIRRHRJNSA-N 1 2 343.446 3.357 20 30 EGEDLO CC(C)N(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)C=C1CCC1 ZINC001755811440 1440920696 /nfs/dbraw/zinc/92/06/96/1440920696.db2.gz UQYYOMDCWMVLSX-UHFFFAOYSA-N 1 2 343.446 3.476 20 30 EGEDLO CC(C)N(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)C=C1CCC1 ZINC001755811440 1440920697 /nfs/dbraw/zinc/92/06/97/1440920697.db2.gz UQYYOMDCWMVLSX-UHFFFAOYSA-N 1 2 343.446 3.476 20 30 EGEDLO C=C(Cl)C[NH2+]C[C@H](NC(=O)c1nncc2ccccc21)C(C)(C)C ZINC001755826919 1440927484 /nfs/dbraw/zinc/92/74/84/1440927484.db2.gz AFIKSLMMVJUPHX-HNNXBMFYSA-N 1 2 346.862 3.116 20 30 EGEDLO Cc1ccc([C@@H](CNc2cccc(F)c2C#N)[NH+]2CCOCC2)o1 ZINC000040018062 213251911 /nfs/dbraw/zinc/25/19/11/213251911.db2.gz FFPZRXHPLIGPDR-QGZVFWFLSA-N 1 2 329.375 3.084 20 30 EGEDLO Cc1cnc(C(C)(C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)s1 ZINC000183939857 235266425 /nfs/dbraw/zinc/26/64/25/235266425.db2.gz BMKGGADFAYFDAM-LLVKDONJSA-N 1 2 346.456 3.385 20 30 EGEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000187260544 236161018 /nfs/dbraw/zinc/16/10/18/236161018.db2.gz ROOXHEDZMXWMEW-UHFFFAOYSA-N 1 2 345.874 3.436 20 30 EGEDLO Cc1ccc(C)c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000023437562 212377051 /nfs/dbraw/zinc/37/70/51/212377051.db2.gz JTKZZRKYARSUFP-UHFFFAOYSA-N 1 2 333.435 3.133 20 30 EGEDLO N#Cc1ccc(N2CCC[N@H+](Cc3cscn3)CC2)cc1Cl ZINC000110512328 220042199 /nfs/dbraw/zinc/04/21/99/220042199.db2.gz AEUXDCHYVCYSOE-UHFFFAOYSA-N 1 2 332.860 3.380 20 30 EGEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3cscn3)CC2)cc1Cl ZINC000110512328 220042203 /nfs/dbraw/zinc/04/22/03/220042203.db2.gz AEUXDCHYVCYSOE-UHFFFAOYSA-N 1 2 332.860 3.380 20 30 EGEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccn(C3CCCC3)n2)CC1 ZINC000268710703 252161651 /nfs/dbraw/zinc/16/16/51/252161651.db2.gz TVYGYXSNZJURIQ-UHFFFAOYSA-N 1 2 335.455 3.192 20 30 EGEDLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)C[C@H](O)c1ccc(C#N)cc1 ZINC000268682488 252135360 /nfs/dbraw/zinc/13/53/60/252135360.db2.gz MTGPIIFPMISULW-LBPRGKRZSA-N 1 2 341.358 3.199 20 30 EGEDLO C[N@H+](Cc1nc(C(F)(F)F)cs1)C[C@H](O)c1ccc(C#N)cc1 ZINC000268682488 252135362 /nfs/dbraw/zinc/13/53/62/252135362.db2.gz MTGPIIFPMISULW-LBPRGKRZSA-N 1 2 341.358 3.199 20 30 EGEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000118392667 221145632 /nfs/dbraw/zinc/14/56/32/221145632.db2.gz CNIFZWNKCZBZNB-OAHLLOKOSA-N 1 2 337.398 3.216 20 30 EGEDLO N#Cc1cc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)ccc1F ZINC000118944423 221207412 /nfs/dbraw/zinc/20/74/12/221207412.db2.gz KTHHFDDRJUYWQL-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO Cc1cc(C)c(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)c(C)[nH+]1 ZINC000344464137 141157747 /nfs/dbraw/zinc/15/77/47/141157747.db2.gz QXHMGCFYARQCCL-UHFFFAOYSA-N 1 2 331.379 3.317 20 30 EGEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186508848 144136193 /nfs/dbraw/zinc/13/61/93/144136193.db2.gz OSLCOQVTTZLHNR-UHFFFAOYSA-N 1 2 346.352 3.459 20 30 EGEDLO C[S@](=O)C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccccc1 ZINC000187434024 144159124 /nfs/dbraw/zinc/15/91/24/144159124.db2.gz LPIJAQQEXAAGIV-VGSWGCGISA-N 1 2 332.856 3.421 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000361608769 144337228 /nfs/dbraw/zinc/33/72/28/144337228.db2.gz VGSDHMGQYACPMP-MRXNPFEDSA-N 1 2 349.434 3.133 20 30 EGEDLO CC(=O)N1CC[N@H+](Cc2cccc(C#N)c2F)CC12CCCCC2 ZINC000341138186 155183142 /nfs/dbraw/zinc/18/31/42/155183142.db2.gz QEZSNAAWJRDRPC-UHFFFAOYSA-N 1 2 329.419 3.064 20 30 EGEDLO CC(=O)N1CC[N@@H+](Cc2cccc(C#N)c2F)CC12CCCCC2 ZINC000341138186 155183145 /nfs/dbraw/zinc/18/31/45/155183145.db2.gz QEZSNAAWJRDRPC-UHFFFAOYSA-N 1 2 329.419 3.064 20 30 EGEDLO C[N@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115535374 152017474 /nfs/dbraw/zinc/01/74/74/152017474.db2.gz JDNJKGXLBDFWSO-LJQANCHMSA-N 1 2 337.398 3.325 20 30 EGEDLO C[N@@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115535374 152017477 /nfs/dbraw/zinc/01/74/77/152017477.db2.gz JDNJKGXLBDFWSO-LJQANCHMSA-N 1 2 337.398 3.325 20 30 EGEDLO N#Cc1cccc(NC(=O)C[NH2+][C@@H](c2nccs2)c2ccccc2)c1 ZINC000195043666 153375116 /nfs/dbraw/zinc/37/51/16/153375116.db2.gz HQQUOLIZEQKUJJ-GOSISDBHSA-N 1 2 348.431 3.332 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)c1 ZINC000337356998 154303851 /nfs/dbraw/zinc/30/38/51/154303851.db2.gz BXMSOFHBEJLCAE-UHFFFAOYSA-N 1 2 332.382 3.441 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)c1 ZINC000337356998 154303854 /nfs/dbraw/zinc/30/38/54/154303854.db2.gz BXMSOFHBEJLCAE-UHFFFAOYSA-N 1 2 332.382 3.441 20 30 EGEDLO Cc1noc([C@@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)C2CCOCC2)n1 ZINC000345319897 156053356 /nfs/dbraw/zinc/05/33/56/156053356.db2.gz CGBJJKAHSQISMT-SJCJKPOMSA-N 1 2 326.400 3.068 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)cc1F ZINC000372812925 157389393 /nfs/dbraw/zinc/38/93/93/157389393.db2.gz CVBPKFCLUTUKNO-UHFFFAOYSA-N 1 2 338.382 3.498 20 30 EGEDLO CSc1ccccc1[C@H](C)[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000336965455 163095233 /nfs/dbraw/zinc/09/52/33/163095233.db2.gz JFEURUDHVDLLLU-SJCJKPOMSA-N 1 2 325.437 3.157 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(F)c3Cl)CC2)nc1 ZINC000338926733 163389300 /nfs/dbraw/zinc/38/93/00/163389300.db2.gz REWHFOYJJSZKRP-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)Cc1ccc(F)cc1C#N ZINC000343736970 164022890 /nfs/dbraw/zinc/02/28/90/164022890.db2.gz SCRIRILAGCIBFA-UHFFFAOYSA-N 1 2 326.297 3.088 20 30 EGEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nc(-c2ccccc2)no1 ZINC000344125778 164109273 /nfs/dbraw/zinc/10/92/73/164109273.db2.gz XAHBJELEAHZZLO-UHFFFAOYSA-N 1 2 348.406 3.257 20 30 EGEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nc(-c2ccccc2)no1 ZINC000344125778 164109277 /nfs/dbraw/zinc/10/92/77/164109277.db2.gz XAHBJELEAHZZLO-UHFFFAOYSA-N 1 2 348.406 3.257 20 30 EGEDLO C[NH+](C)[C@H](CNC(=O)c1ccc(F)c(C#N)c1)c1c(F)cccc1F ZINC000346355865 164373563 /nfs/dbraw/zinc/37/35/63/164373563.db2.gz KYCOCLOKQCDAKD-MRXNPFEDSA-N 1 2 347.340 3.008 20 30 EGEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2ncc(Cl)s2)CC1 ZINC000352010965 165192700 /nfs/dbraw/zinc/19/27/00/165192700.db2.gz MERMGNBYPNYDQA-UHFFFAOYSA-N 1 2 332.860 3.380 20 30 EGEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2ncc(Cl)s2)CC1 ZINC000352010965 165192702 /nfs/dbraw/zinc/19/27/02/165192702.db2.gz MERMGNBYPNYDQA-UHFFFAOYSA-N 1 2 332.860 3.380 20 30 EGEDLO C[N@@H+](Cc1ccc(Cl)cc1C#N)C[C@H]1COc2ccccc2O1 ZINC000359827885 167242021 /nfs/dbraw/zinc/24/20/21/167242021.db2.gz DTZARGBFSMTTCN-INIZCTEOSA-N 1 2 328.799 3.483 20 30 EGEDLO C[N@H+](Cc1ccc(Cl)cc1C#N)C[C@H]1COc2ccccc2O1 ZINC000359827885 167242022 /nfs/dbraw/zinc/24/20/22/167242022.db2.gz DTZARGBFSMTTCN-INIZCTEOSA-N 1 2 328.799 3.483 20 30 EGEDLO C[C@H](C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1)c1cccc(C#N)c1 ZINC000360443740 167330187 /nfs/dbraw/zinc/33/01/87/167330187.db2.gz GDQFJFWEWDARLR-LBPRGKRZSA-N 1 2 333.395 3.243 20 30 EGEDLO N#Cc1cc(Br)cnc1N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000297621283 269950647 /nfs/dbraw/zinc/95/06/47/269950647.db2.gz WKLXXTVWORUZDU-GFCCVEGCSA-N 1 2 332.205 3.170 20 30 EGEDLO Cc1nc(N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)cc[nH+]1 ZINC000302108092 270044414 /nfs/dbraw/zinc/04/44/14/270044414.db2.gz AUFZLDYXLZKDLX-UHFFFAOYSA-N 1 2 347.344 3.002 20 30 EGEDLO C#CCOc1ccccc1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000371462612 270045989 /nfs/dbraw/zinc/04/59/89/270045989.db2.gz DPNZKTDUOFUFTD-OAQYLSRUSA-N 1 2 332.403 3.144 20 30 EGEDLO C#CCOc1ccccc1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000371462612 270045991 /nfs/dbraw/zinc/04/59/91/270045991.db2.gz DPNZKTDUOFUFTD-OAQYLSRUSA-N 1 2 332.403 3.144 20 30 EGEDLO N#Cc1ccnc(SCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000421846235 270048843 /nfs/dbraw/zinc/04/88/43/270048843.db2.gz SCPIJSXARCHVBP-UHFFFAOYSA-N 1 2 325.437 3.078 20 30 EGEDLO CCCOc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)C2 ZINC000441067661 270051823 /nfs/dbraw/zinc/05/18/23/270051823.db2.gz BTDZZDMOMWUDDM-UHFFFAOYSA-N 1 2 349.434 3.344 20 30 EGEDLO CCCOc1ccc2c(c1)CC[N@H+](CC(=O)Nc1cccc(C#N)c1)C2 ZINC000441067661 270051824 /nfs/dbraw/zinc/05/18/24/270051824.db2.gz BTDZZDMOMWUDDM-UHFFFAOYSA-N 1 2 349.434 3.344 20 30 EGEDLO N#Cc1ccc(C2=CCN(c3nc(N)c4ccccc4[nH+]3)CC2)cc1 ZINC000534315619 270061018 /nfs/dbraw/zinc/06/10/18/270061018.db2.gz YSXFHJZOMRAGLD-UHFFFAOYSA-N 1 2 327.391 3.208 20 30 EGEDLO N#Cc1c(F)cccc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000188194011 265659043 /nfs/dbraw/zinc/65/90/43/265659043.db2.gz MDKKWQQWKWUZTP-UHFFFAOYSA-N 1 2 344.415 3.392 20 30 EGEDLO CCC(CC)n1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292325996 266005109 /nfs/dbraw/zinc/00/51/09/266005109.db2.gz WBIFRSHLSXNYFL-GOSISDBHSA-N 1 2 339.443 3.164 20 30 EGEDLO CCC(CC)n1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292325996 266005111 /nfs/dbraw/zinc/00/51/11/266005111.db2.gz WBIFRSHLSXNYFL-GOSISDBHSA-N 1 2 339.443 3.164 20 30 EGEDLO N#Cc1ccc(C[NH2+]Cc2cccnc2OCC(F)(F)F)c(F)c1 ZINC000269415572 266289919 /nfs/dbraw/zinc/28/99/19/266289919.db2.gz KFGJZAJVQDVQNR-UHFFFAOYSA-N 1 2 339.292 3.323 20 30 EGEDLO CC(=O)c1ccc(C#N)c(NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000272547527 266868168 /nfs/dbraw/zinc/86/81/68/266868168.db2.gz QSKRCTOFIBHQRT-UHFFFAOYSA-N 1 2 349.434 3.205 20 30 EGEDLO C[C@@H]1CSCC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000172590648 267074458 /nfs/dbraw/zinc/07/44/58/267074458.db2.gz UIULHWBWVWODQY-GFCCVEGCSA-N 1 2 349.525 3.264 20 30 EGEDLO C[C@@H]1CSCC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000172590648 267074460 /nfs/dbraw/zinc/07/44/60/267074460.db2.gz UIULHWBWVWODQY-GFCCVEGCSA-N 1 2 349.525 3.264 20 30 EGEDLO C[C@@]12CC[N@H+](CC(=O)Nc3cccc(C#N)c3)C[C@@H]1C2(Cl)Cl ZINC000284965671 267121096 /nfs/dbraw/zinc/12/10/96/267121096.db2.gz XKKZCFNTZXEWMJ-DZGCQCFKSA-N 1 2 338.238 3.012 20 30 EGEDLO C[C@@]12CC[N@@H+](CC(=O)Nc3cccc(C#N)c3)C[C@@H]1C2(Cl)Cl ZINC000284965671 267121099 /nfs/dbraw/zinc/12/10/99/267121099.db2.gz XKKZCFNTZXEWMJ-DZGCQCFKSA-N 1 2 338.238 3.012 20 30 EGEDLO CCOc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)Nc1cccc(C#N)c1)C2 ZINC000441075760 267171501 /nfs/dbraw/zinc/17/15/01/267171501.db2.gz PSTNQFYMVVHYNO-HNNXBMFYSA-N 1 2 349.434 3.342 20 30 EGEDLO CCOc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)Nc1cccc(C#N)c1)C2 ZINC000441075760 267171504 /nfs/dbraw/zinc/17/15/04/267171504.db2.gz PSTNQFYMVVHYNO-HNNXBMFYSA-N 1 2 349.434 3.342 20 30 EGEDLO C[C@H]1CN(c2ccc(NCc3ccc(C#N)cc3F)c[nH+]2)C[C@H](C)O1 ZINC000269468835 267239255 /nfs/dbraw/zinc/23/92/55/267239255.db2.gz ZQYLSVQWFILLQP-KBPBESRZSA-N 1 2 340.402 3.318 20 30 EGEDLO Cc1c(C#N)c(N2CC[NH+](Cc3ccccn3)CC2)nc2ccccc12 ZINC000296266564 267274439 /nfs/dbraw/zinc/27/44/39/267274439.db2.gz GQJDEUPYCMNKTE-UHFFFAOYSA-N 1 2 343.434 3.132 20 30 EGEDLO Cc1cc(C[NH+]2CCN(c3nc4ccccc4c(C)c3C#N)CC2)on1 ZINC000296659568 267323679 /nfs/dbraw/zinc/32/36/79/267323679.db2.gz YFANYYYVTZMXEQ-UHFFFAOYSA-N 1 2 347.422 3.034 20 30 EGEDLO CNc1ccc(C#N)cc1NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000493272686 267353107 /nfs/dbraw/zinc/35/31/07/267353107.db2.gz VPPIMCJUPPKUJI-WEVVVXLNSA-N 1 2 343.390 3.438 20 30 EGEDLO COC(=O)C1([N@H+](C)Cc2ccc(C#N)cc2OC(F)F)CCCC1 ZINC000432011203 267356100 /nfs/dbraw/zinc/35/61/00/267356100.db2.gz HEEAHLWBISYGMF-UHFFFAOYSA-N 1 2 338.354 3.077 20 30 EGEDLO COC(=O)C1([N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)CCCC1 ZINC000432011203 267356102 /nfs/dbraw/zinc/35/61/02/267356102.db2.gz HEEAHLWBISYGMF-UHFFFAOYSA-N 1 2 338.354 3.077 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)cc1F ZINC000411975241 268223581 /nfs/dbraw/zinc/22/35/81/268223581.db2.gz BEHHXVUUYXQOEL-HXUWFJFHSA-N 1 2 336.366 3.307 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)cc1F ZINC000411975241 268223584 /nfs/dbraw/zinc/22/35/84/268223584.db2.gz BEHHXVUUYXQOEL-HXUWFJFHSA-N 1 2 336.366 3.307 20 30 EGEDLO N#Cc1cccc(-c2cc(C(=O)N3CCCC[C@H]3c3[nH]cc[nH+]3)on2)c1 ZINC000279244491 275315792 /nfs/dbraw/zinc/31/57/92/275315792.db2.gz ONONSAIVTVJAIC-INIZCTEOSA-N 1 2 347.378 3.304 20 30 EGEDLO CC(C)Oc1cc[nH+]cc1COC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000286814490 276046052 /nfs/dbraw/zinc/04/60/52/276046052.db2.gz BSHDHDPZBITJGN-AWEZNQCLSA-N 1 2 340.379 3.251 20 30 EGEDLO CC(C)c1cccc2c1CC[N@@H+]([C@@H](C(N)=O)c1ccc(C#N)cc1)C2 ZINC000355373393 276060290 /nfs/dbraw/zinc/06/02/90/276060290.db2.gz ATAFHOKRNXGWSO-HXUWFJFHSA-N 1 2 333.435 3.266 20 30 EGEDLO CC(C)c1cccc2c1CC[N@H+]([C@@H](C(N)=O)c1ccc(C#N)cc1)C2 ZINC000355373393 276060291 /nfs/dbraw/zinc/06/02/91/276060291.db2.gz ATAFHOKRNXGWSO-HXUWFJFHSA-N 1 2 333.435 3.266 20 30 EGEDLO CCOc1ccc(C#N)cc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000056478629 307343334 /nfs/dbraw/zinc/34/33/34/307343334.db2.gz BHARSLBAMAUBGJ-UHFFFAOYSA-N 1 2 332.363 3.395 20 30 EGEDLO N#Cc1ccccc1N1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000070791489 307376938 /nfs/dbraw/zinc/37/69/38/307376938.db2.gz KRBHNGNXJKEBQC-UHFFFAOYSA-N 1 2 334.448 3.490 20 30 EGEDLO Cc1cc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c(C)c[nH+]1 ZINC000536574650 314126015 /nfs/dbraw/zinc/12/60/15/314126015.db2.gz NSSZCHGLMUMLKF-UHFFFAOYSA-N 1 2 347.374 3.416 20 30 EGEDLO C[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1nc(C(C)(C)C)cs1 ZINC000560944957 315731536 /nfs/dbraw/zinc/73/15/36/315731536.db2.gz DZEOERSJFRWKCO-NSHDSACASA-N 1 2 340.456 3.206 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCSC[C@@H]1C1CCC1 ZINC000572137414 317297384 /nfs/dbraw/zinc/29/73/84/317297384.db2.gz DNMMRZBSRLOXND-MRXNPFEDSA-N 1 2 349.887 3.368 20 30 EGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCSC[C@@H]1C1CCC1 ZINC000572137414 317297388 /nfs/dbraw/zinc/29/73/88/317297388.db2.gz DNMMRZBSRLOXND-MRXNPFEDSA-N 1 2 349.887 3.368 20 30 EGEDLO COc1ccc(CNc2ccc([NH+]3CCC(O)CC3)cc2)cc1C#N ZINC000174290093 533707489 /nfs/dbraw/zinc/70/74/89/533707489.db2.gz WQUBOMVBUNGZIT-UHFFFAOYSA-N 1 2 337.423 3.140 20 30 EGEDLO C[N@@H+](CCC#N)C[C@@H](O)CSCc1ccc(C(F)(F)F)cc1 ZINC000414123110 458315378 /nfs/dbraw/zinc/31/53/78/458315378.db2.gz JENMXWIBTBVKPP-CQSZACIVSA-N 1 2 332.391 3.145 20 30 EGEDLO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612155274 460554359 /nfs/dbraw/zinc/55/43/59/460554359.db2.gz QXFSUFSIHNZJGE-FWMOPOTMSA-N 1 2 329.488 3.086 20 30 EGEDLO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612155274 460554364 /nfs/dbraw/zinc/55/43/64/460554364.db2.gz QXFSUFSIHNZJGE-FWMOPOTMSA-N 1 2 329.488 3.086 20 30 EGEDLO C[C@@]1(C#N)CCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000612158228 460554683 /nfs/dbraw/zinc/55/46/83/460554683.db2.gz IPUGNTDSKRMCDX-BBRMVZONSA-N 1 2 343.254 3.359 20 30 EGEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000612158228 460554689 /nfs/dbraw/zinc/55/46/89/460554689.db2.gz IPUGNTDSKRMCDX-BBRMVZONSA-N 1 2 343.254 3.359 20 30 EGEDLO Cc1cccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000015742290 453583667 /nfs/dbraw/zinc/58/36/67/453583667.db2.gz FZWQRGICJRMAOG-UHFFFAOYSA-N 1 2 333.435 3.133 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cccs1 ZINC000019540462 453657647 /nfs/dbraw/zinc/65/76/47/453657647.db2.gz KCWYJBXGZMVUFM-UHFFFAOYSA-N 1 2 343.452 3.333 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cccs1 ZINC000019540462 453657648 /nfs/dbraw/zinc/65/76/48/453657648.db2.gz KCWYJBXGZMVUFM-UHFFFAOYSA-N 1 2 343.452 3.333 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1ccc(F)cc1F ZINC000024950944 453752233 /nfs/dbraw/zinc/75/22/33/453752233.db2.gz BQSCQTJEOWJPTL-LBPRGKRZSA-N 1 2 329.350 3.295 20 30 EGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1ccc(F)cc1F ZINC000024950944 453752237 /nfs/dbraw/zinc/75/22/37/453752237.db2.gz BQSCQTJEOWJPTL-LBPRGKRZSA-N 1 2 329.350 3.295 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2cccc(Cl)c2)c(C#N)c1C ZINC000025948760 453790274 /nfs/dbraw/zinc/79/02/74/453790274.db2.gz ZWVSMLIBFVEKFQ-UHFFFAOYSA-N 1 2 331.803 3.492 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+](C)Cc2cccc(Cl)c2)c(C#N)c1C ZINC000025948760 453790275 /nfs/dbraw/zinc/79/02/75/453790275.db2.gz ZWVSMLIBFVEKFQ-UHFFFAOYSA-N 1 2 331.803 3.492 20 30 EGEDLO C=CCOc1ccccc1C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000030563012 453836720 /nfs/dbraw/zinc/83/67/20/453836720.db2.gz LWGFFBBPKXQNQO-UHFFFAOYSA-N 1 2 335.407 3.340 20 30 EGEDLO N#Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)ccc1F ZINC000081660307 453901736 /nfs/dbraw/zinc/90/17/36/453901736.db2.gz JKIHPOYFXNHZSI-SFHVURJKSA-N 1 2 341.361 3.440 20 30 EGEDLO N#Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)ccc1F ZINC000081660307 453901740 /nfs/dbraw/zinc/90/17/40/453901740.db2.gz JKIHPOYFXNHZSI-SFHVURJKSA-N 1 2 341.361 3.440 20 30 EGEDLO C=CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC000054271870 453919618 /nfs/dbraw/zinc/91/96/18/453919618.db2.gz NFMGTMOPEHSOAR-UHFFFAOYSA-N 1 2 342.414 3.139 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC000054271870 453919621 /nfs/dbraw/zinc/91/96/21/453919621.db2.gz NFMGTMOPEHSOAR-UHFFFAOYSA-N 1 2 342.414 3.139 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)N1CCc2ccccc21 ZINC000076153328 453972002 /nfs/dbraw/zinc/97/20/02/453972002.db2.gz CJDHZIYTXIZHBB-CTNGQTDRSA-N 1 2 345.446 3.347 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2ccccc21 ZINC000076153328 453972006 /nfs/dbraw/zinc/97/20/06/453972006.db2.gz CJDHZIYTXIZHBB-CTNGQTDRSA-N 1 2 345.446 3.347 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1nc(-c2ccccn2)no1 ZINC000076153951 453972021 /nfs/dbraw/zinc/97/20/21/453972021.db2.gz NHHARLNLUQMROR-SJLPKXTDSA-N 1 2 345.406 3.403 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1nc(-c2ccccn2)no1 ZINC000076153951 453972025 /nfs/dbraw/zinc/97/20/25/453972025.db2.gz NHHARLNLUQMROR-SJLPKXTDSA-N 1 2 345.406 3.403 20 30 EGEDLO Cc1ncc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)s1 ZINC000077184868 454071304 /nfs/dbraw/zinc/07/13/04/454071304.db2.gz BOBIOQTUSBLTKX-UHFFFAOYSA-N 1 2 334.832 3.047 20 30 EGEDLO Cc1ncc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)s1 ZINC000077184868 454071308 /nfs/dbraw/zinc/07/13/08/454071308.db2.gz BOBIOQTUSBLTKX-UHFFFAOYSA-N 1 2 334.832 3.047 20 30 EGEDLO C#CCOc1ccc(F)cc1NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000088390896 454102502 /nfs/dbraw/zinc/10/25/02/454102502.db2.gz GSICXMIKTATGCY-HNNXBMFYSA-N 1 2 342.374 3.320 20 30 EGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000045029457 454134425 /nfs/dbraw/zinc/13/44/25/454134425.db2.gz PCHNLOZTZDVWCM-KRWDZBQOSA-N 1 2 331.379 3.203 20 30 EGEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH+]1CCC(C#N)CC1 ZINC000057880965 454154888 /nfs/dbraw/zinc/15/48/88/454154888.db2.gz VAPJGZAWVGYLRT-LBPRGKRZSA-N 1 2 335.835 3.220 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCc1ccccc1C)Cc1ccccc1F ZINC000071996779 454265028 /nfs/dbraw/zinc/26/50/28/454265028.db2.gz HUQAKLPBTSWVLC-UHFFFAOYSA-N 1 2 326.415 3.439 20 30 EGEDLO C=CC[N@H+](CC(=O)NCc1ccccc1C)Cc1ccccc1F ZINC000071996779 454265032 /nfs/dbraw/zinc/26/50/32/454265032.db2.gz HUQAKLPBTSWVLC-UHFFFAOYSA-N 1 2 326.415 3.439 20 30 EGEDLO C=CC[N@@H+](CCOC)Cc1csc(COc2ccc(F)cc2)n1 ZINC000191105483 455443339 /nfs/dbraw/zinc/44/33/39/455443339.db2.gz DKSQBZSGGALINT-UHFFFAOYSA-N 1 2 336.432 3.496 20 30 EGEDLO C=CC[N@H+](CCOC)Cc1csc(COc2ccc(F)cc2)n1 ZINC000191105483 455443346 /nfs/dbraw/zinc/44/33/46/455443346.db2.gz DKSQBZSGGALINT-UHFFFAOYSA-N 1 2 336.432 3.496 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)NCc1cc(F)cc(F)c1 ZINC000072692984 454329945 /nfs/dbraw/zinc/32/99/45/454329945.db2.gz JGIBVBZMDJYMST-UHFFFAOYSA-N 1 2 337.414 3.233 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)NCc1cc(F)cc(F)c1 ZINC000072692984 454329947 /nfs/dbraw/zinc/32/99/47/454329947.db2.gz JGIBVBZMDJYMST-UHFFFAOYSA-N 1 2 337.414 3.233 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c1C#N ZINC000091070768 454376844 /nfs/dbraw/zinc/37/68/44/454376844.db2.gz ZLPQIKHJXPCHSR-OKILXGFUSA-N 1 2 326.469 3.378 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c1C#N ZINC000091070768 454376848 /nfs/dbraw/zinc/37/68/48/454376848.db2.gz ZLPQIKHJXPCHSR-OKILXGFUSA-N 1 2 326.469 3.378 20 30 EGEDLO C#CCN(C(=O)NCc1ccc(N2CCCC2)[nH+]c1)C1CCCCC1 ZINC000062484769 454378049 /nfs/dbraw/zinc/37/80/49/454378049.db2.gz USUAYCVLFRBYPN-UHFFFAOYSA-N 1 2 340.471 3.159 20 30 EGEDLO N#Cc1ccc(CNc2ccccc2C[NH+]2CCOCC2)c(F)c1 ZINC000079183379 454379789 /nfs/dbraw/zinc/37/97/89/454379789.db2.gz VKAGZUBEXBPZQT-UHFFFAOYSA-N 1 2 325.387 3.142 20 30 EGEDLO COC(=O)[C@@H](c1cccc(Br)c1)[N@H+](C)CCCCC#N ZINC000122294719 454519677 /nfs/dbraw/zinc/51/96/77/454519677.db2.gz NQSUWEANNHXYHZ-CQSZACIVSA-N 1 2 339.233 3.289 20 30 EGEDLO COC(=O)[C@@H](c1cccc(Br)c1)[N@@H+](C)CCCCC#N ZINC000122294719 454519683 /nfs/dbraw/zinc/51/96/83/454519683.db2.gz NQSUWEANNHXYHZ-CQSZACIVSA-N 1 2 339.233 3.289 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000134647583 454574399 /nfs/dbraw/zinc/57/43/99/454574399.db2.gz JSBVYRWAFXEJCS-RYUDHWBXSA-N 1 2 333.270 3.273 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000134647583 454574400 /nfs/dbraw/zinc/57/44/00/454574400.db2.gz JSBVYRWAFXEJCS-RYUDHWBXSA-N 1 2 333.270 3.273 20 30 EGEDLO C=CC[N@H+](CC(=O)NCc1sccc1C)Cc1ccc(OC)cc1 ZINC000122601301 454551648 /nfs/dbraw/zinc/55/16/48/454551648.db2.gz WXVIYIHDKKJKJQ-UHFFFAOYSA-N 1 2 344.480 3.370 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCc1sccc1C)Cc1ccc(OC)cc1 ZINC000122601301 454551652 /nfs/dbraw/zinc/55/16/52/454551652.db2.gz WXVIYIHDKKJKJQ-UHFFFAOYSA-N 1 2 344.480 3.370 20 30 EGEDLO CCC[N@@H+](CC#N)CCC(=O)Nc1ccc(Br)cc1F ZINC000103469496 454558751 /nfs/dbraw/zinc/55/87/51/454558751.db2.gz ZEWNIWFVZNCRJR-UHFFFAOYSA-N 1 2 342.212 3.152 20 30 EGEDLO CCC[N@H+](CC#N)CCC(=O)Nc1ccc(Br)cc1F ZINC000103469496 454558756 /nfs/dbraw/zinc/55/87/56/454558756.db2.gz ZEWNIWFVZNCRJR-UHFFFAOYSA-N 1 2 342.212 3.152 20 30 EGEDLO Cc1ccccc1[C@H](OC[C@@H](O)C[N@H+](C)CCC#N)c1ccccc1 ZINC000122786944 454568974 /nfs/dbraw/zinc/56/89/74/454568974.db2.gz VUAUZDCIDPEEGC-PZJWPPBQSA-N 1 2 338.451 3.307 20 30 EGEDLO Cc1ccccc1[C@H](OC[C@@H](O)C[N@@H+](C)CCC#N)c1ccccc1 ZINC000122786944 454568980 /nfs/dbraw/zinc/56/89/80/454568980.db2.gz VUAUZDCIDPEEGC-PZJWPPBQSA-N 1 2 338.451 3.307 20 30 EGEDLO N#Cc1c(Cl)nsc1NCC1([NH+]2CCOCC2)CCCCC1 ZINC000051232512 454614483 /nfs/dbraw/zinc/61/44/83/454614483.db2.gz PURQGCROQSDLHC-UHFFFAOYSA-N 1 2 340.880 3.115 20 30 EGEDLO N#Cc1cccc(OCC[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000051689161 454634972 /nfs/dbraw/zinc/63/49/72/454634972.db2.gz DZKXCXNVUNFNHW-LJQANCHMSA-N 1 2 326.371 3.150 20 30 EGEDLO N#Cc1cccc(OCC[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000051689161 454634976 /nfs/dbraw/zinc/63/49/76/454634976.db2.gz DZKXCXNVUNFNHW-LJQANCHMSA-N 1 2 326.371 3.150 20 30 EGEDLO C[C@H](CC#N)[N@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000093090418 454680245 /nfs/dbraw/zinc/68/02/45/454680245.db2.gz WEPUSQFYMPCCLN-LLVKDONJSA-N 1 2 339.233 3.344 20 30 EGEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000093090418 454680248 /nfs/dbraw/zinc/68/02/48/454680248.db2.gz WEPUSQFYMPCCLN-LLVKDONJSA-N 1 2 339.233 3.344 20 30 EGEDLO CC[C@]1(C)C[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CCO1 ZINC000135609341 454693992 /nfs/dbraw/zinc/69/39/92/454693992.db2.gz CPNVZRNHNBQOLF-YVEFUNNKSA-N 1 2 335.835 3.040 20 30 EGEDLO CC[C@]1(C)C[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CCO1 ZINC000135609341 454693996 /nfs/dbraw/zinc/69/39/96/454693996.db2.gz CPNVZRNHNBQOLF-YVEFUNNKSA-N 1 2 335.835 3.040 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(C(N)=O)cs1 ZINC000093872477 454742632 /nfs/dbraw/zinc/74/26/32/454742632.db2.gz OXLNJHTUOKMJRI-IRXDYDNUSA-N 1 2 325.437 3.119 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(C(N)=O)cs1 ZINC000093872477 454742635 /nfs/dbraw/zinc/74/26/35/454742635.db2.gz OXLNJHTUOKMJRI-IRXDYDNUSA-N 1 2 325.437 3.119 20 30 EGEDLO COCCOCC[N@H+](Cc1ccccc1)Cc1cc(F)ccc1C#N ZINC000162019210 454746644 /nfs/dbraw/zinc/74/66/44/454746644.db2.gz LZMLUMZRMGFZLM-UHFFFAOYSA-N 1 2 342.414 3.363 20 30 EGEDLO COCCOCC[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1C#N ZINC000162019210 454746647 /nfs/dbraw/zinc/74/66/47/454746647.db2.gz LZMLUMZRMGFZLM-UHFFFAOYSA-N 1 2 342.414 3.363 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(C#N)CC1 ZINC000108361827 454794898 /nfs/dbraw/zinc/79/48/98/454794898.db2.gz LLHXMMUIFWDOQU-CQSZACIVSA-N 1 2 342.468 3.255 20 30 EGEDLO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3cc(F)ccc3C#N)CC2)C1 ZINC000177265721 454844750 /nfs/dbraw/zinc/84/47/50/454844750.db2.gz YVWXKHXVRNUHME-OAHLLOKOSA-N 1 2 343.446 3.168 20 30 EGEDLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)cs1 ZINC000111376579 454862944 /nfs/dbraw/zinc/86/29/44/454862944.db2.gz IDEHRPLHJDBGIE-STQMWFEESA-N 1 2 334.489 3.087 20 30 EGEDLO C=CCCOCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000147150517 454863189 /nfs/dbraw/zinc/86/31/89/454863189.db2.gz OVWLPYNBTXJHAC-UHFFFAOYSA-N 1 2 325.412 3.418 20 30 EGEDLO C=CC1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000111478157 454867196 /nfs/dbraw/zinc/86/71/96/454867196.db2.gz VOAIBYHKZHENQD-UHFFFAOYSA-N 1 2 328.391 3.119 20 30 EGEDLO CC[C@H](C#N)Sc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000127016525 454932790 /nfs/dbraw/zinc/93/27/90/454932790.db2.gz KBFCWSCVLGUBIY-MRXNPFEDSA-N 1 2 341.484 3.316 20 30 EGEDLO Cc1ccc2[nH+]cc(/C=C3/S/C(=N\C4CCCC4)NC3=O)n2c1 ZINC000151388577 454978771 /nfs/dbraw/zinc/97/87/71/454978771.db2.gz HPVIHLDBTCVCQR-RIYZIHGNSA-N 1 2 326.425 3.145 20 30 EGEDLO Cc1cccc(S(=O)(=O)CCC[N@H+](CCC#N)CC(C)(C)C)c1 ZINC000155259339 454979960 /nfs/dbraw/zinc/97/99/60/454979960.db2.gz DPJKLCZJWJLRPE-UHFFFAOYSA-N 1 2 336.501 3.421 20 30 EGEDLO Cc1cccc(S(=O)(=O)CCC[N@@H+](CCC#N)CC(C)(C)C)c1 ZINC000155259339 454979964 /nfs/dbraw/zinc/97/99/64/454979964.db2.gz DPJKLCZJWJLRPE-UHFFFAOYSA-N 1 2 336.501 3.421 20 30 EGEDLO CCS[C@@H](C)c1noc(C[N@H+](C)CCOc2ccc(C#N)cc2)n1 ZINC000127901195 455007993 /nfs/dbraw/zinc/00/79/93/455007993.db2.gz LDFOJMWWKCEMEL-ZDUSSCGKSA-N 1 2 346.456 3.266 20 30 EGEDLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCOc2ccc(C#N)cc2)n1 ZINC000127901195 455007995 /nfs/dbraw/zinc/00/79/95/455007995.db2.gz LDFOJMWWKCEMEL-ZDUSSCGKSA-N 1 2 346.456 3.266 20 30 EGEDLO N#CCCCOc1cccnc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000171058125 455023056 /nfs/dbraw/zinc/02/30/56/455023056.db2.gz OBOXOQPTOJIAAB-UHFFFAOYSA-N 1 2 347.378 3.202 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1cccnc1 ZINC000155790156 455046057 /nfs/dbraw/zinc/04/60/57/455046057.db2.gz NUNOONIQYYHYQO-GFCCVEGCSA-N 1 2 328.803 3.066 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1cccnc1 ZINC000155790156 455046058 /nfs/dbraw/zinc/04/60/58/455046058.db2.gz NUNOONIQYYHYQO-GFCCVEGCSA-N 1 2 328.803 3.066 20 30 EGEDLO C[C@H](CC#N)[N@H+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000179452399 455049044 /nfs/dbraw/zinc/04/90/44/455049044.db2.gz ZFFADAPWUZCUAP-GFCCVEGCSA-N 1 2 333.233 3.369 20 30 EGEDLO C[C@H](CC#N)[N@@H+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000179452399 455049047 /nfs/dbraw/zinc/04/90/47/455049047.db2.gz ZFFADAPWUZCUAP-GFCCVEGCSA-N 1 2 333.233 3.369 20 30 EGEDLO C=CCOc1ccccc1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117661313 455090862 /nfs/dbraw/zinc/09/08/62/455090862.db2.gz QEIQEVZFGLISOP-UHFFFAOYSA-N 1 2 333.391 3.367 20 30 EGEDLO COCC[N@H+](CCC#N)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000119124649 455127607 /nfs/dbraw/zinc/12/76/07/455127607.db2.gz VFYCCROGGWQZNG-UHFFFAOYSA-N 1 2 329.356 3.217 20 30 EGEDLO COCC[N@@H+](CCC#N)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000119124649 455127610 /nfs/dbraw/zinc/12/76/10/455127610.db2.gz VFYCCROGGWQZNG-UHFFFAOYSA-N 1 2 329.356 3.217 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(C)n2)c(C#N)c1C ZINC000157179821 455170917 /nfs/dbraw/zinc/17/09/17/455170917.db2.gz XULGKDSKRNVMGA-KRWDZBQOSA-N 1 2 338.411 3.247 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(C)n2)c(C#N)c1C ZINC000157179821 455170920 /nfs/dbraw/zinc/17/09/20/455170920.db2.gz XULGKDSKRNVMGA-KRWDZBQOSA-N 1 2 338.411 3.247 20 30 EGEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1cc(F)c(F)c(F)c1 ZINC000180504203 455185510 /nfs/dbraw/zinc/18/55/10/455185510.db2.gz QCHZJBUZZBIWBO-UHFFFAOYSA-N 1 2 333.313 3.046 20 30 EGEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1cc(F)c(F)c(F)c1 ZINC000180504203 455185513 /nfs/dbraw/zinc/18/55/13/455185513.db2.gz QCHZJBUZZBIWBO-UHFFFAOYSA-N 1 2 333.313 3.046 20 30 EGEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000173550833 455304779 /nfs/dbraw/zinc/30/47/79/455304779.db2.gz WPZSODCNSHSWLI-UHFFFAOYSA-N 1 2 344.459 3.235 20 30 EGEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000173550833 455304783 /nfs/dbraw/zinc/30/47/83/455304783.db2.gz WPZSODCNSHSWLI-UHFFFAOYSA-N 1 2 344.459 3.235 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)CCC1 ZINC000190698193 455368881 /nfs/dbraw/zinc/36/88/81/455368881.db2.gz MTXQEKLUIWIKPV-UHFFFAOYSA-N 1 2 346.446 3.225 20 30 EGEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000191146863 455452894 /nfs/dbraw/zinc/45/28/94/455452894.db2.gz FBSADBNMMQBWKP-UHFFFAOYSA-N 1 2 338.451 3.350 20 30 EGEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000191146863 455452899 /nfs/dbraw/zinc/45/28/99/455452899.db2.gz FBSADBNMMQBWKP-UHFFFAOYSA-N 1 2 338.451 3.350 20 30 EGEDLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)o1 ZINC000184853606 455460949 /nfs/dbraw/zinc/46/09/49/455460949.db2.gz YVLPQDKYGMICDZ-GUYCJALGSA-N 1 2 341.411 3.018 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000246325555 455471345 /nfs/dbraw/zinc/47/13/45/455471345.db2.gz DGJYESWTTTVTOZ-PXNSSMCTSA-N 1 2 330.472 3.047 20 30 EGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000246325555 455471348 /nfs/dbraw/zinc/47/13/48/455471348.db2.gz DGJYESWTTTVTOZ-PXNSSMCTSA-N 1 2 330.472 3.047 20 30 EGEDLO C=CCC1(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CCC1 ZINC000191449773 455485695 /nfs/dbraw/zinc/48/56/95/455485695.db2.gz DOANVNGKJXGKAK-UHFFFAOYSA-N 1 2 342.487 3.303 20 30 EGEDLO C[C@@H](c1cnn(C)c1)[N@H+](C)Cc1cc(C#N)ccc1Br ZINC000191823007 455523311 /nfs/dbraw/zinc/52/33/11/455523311.db2.gz KPSLTQUFLBRVEF-NSHDSACASA-N 1 2 333.233 3.247 20 30 EGEDLO C[C@@H](c1cnn(C)c1)[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000191823007 455523316 /nfs/dbraw/zinc/52/33/16/455523316.db2.gz KPSLTQUFLBRVEF-NSHDSACASA-N 1 2 333.233 3.247 20 30 EGEDLO CC#CCCCC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000185724599 455606568 /nfs/dbraw/zinc/60/65/68/455606568.db2.gz CDIAOSQMUJMZHV-UHFFFAOYSA-N 1 2 327.472 3.340 20 30 EGEDLO C#CCCCCNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000268208446 455618965 /nfs/dbraw/zinc/61/89/65/455618965.db2.gz ILYUYHGDEJFSEU-INIZCTEOSA-N 1 2 329.444 3.005 20 30 EGEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)O1 ZINC000247748281 455643170 /nfs/dbraw/zinc/64/31/70/455643170.db2.gz YLXNQHQTXZQZRD-YWPYICTPSA-N 1 2 335.835 3.038 20 30 EGEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)O1 ZINC000247748281 455643172 /nfs/dbraw/zinc/64/31/72/455643172.db2.gz YLXNQHQTXZQZRD-YWPYICTPSA-N 1 2 335.835 3.038 20 30 EGEDLO C=CCN(C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000271505283 455663750 /nfs/dbraw/zinc/66/37/50/455663750.db2.gz JORPRZFKNJLEKI-IYBDPMFKSA-N 1 2 343.471 3.478 20 30 EGEDLO C=CCN(C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000271505283 455663756 /nfs/dbraw/zinc/66/37/56/455663756.db2.gz JORPRZFKNJLEKI-IYBDPMFKSA-N 1 2 343.471 3.478 20 30 EGEDLO CC(C)c1ccoc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000284562810 455706655 /nfs/dbraw/zinc/70/66/55/455706655.db2.gz QOXSYVKEHIWGRQ-UHFFFAOYSA-N 1 2 337.423 3.233 20 30 EGEDLO Cc1ccc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3C)CC2)cc1 ZINC000186198603 455714949 /nfs/dbraw/zinc/71/49/49/455714949.db2.gz ZNHJNIIDARRUOZ-UHFFFAOYSA-N 1 2 347.462 3.062 20 30 EGEDLO CC[C@H]1C(=O)NCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193056907 455739097 /nfs/dbraw/zinc/73/90/97/455739097.db2.gz PDDOLAURSOGGAD-FQEVSTJZSA-N 1 2 347.462 3.097 20 30 EGEDLO CC[C@H]1C(=O)NCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193056907 455739102 /nfs/dbraw/zinc/73/91/02/455739102.db2.gz PDDOLAURSOGGAD-FQEVSTJZSA-N 1 2 347.462 3.097 20 30 EGEDLO C[N@H+](CCC#N)C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000292777738 455755157 /nfs/dbraw/zinc/75/51/57/455755157.db2.gz KGTXXGRYDHPZCA-ZDUSSCGKSA-N 1 2 331.641 3.155 20 30 EGEDLO C[N@@H+](CCC#N)C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000292777738 455755159 /nfs/dbraw/zinc/75/51/59/455755159.db2.gz KGTXXGRYDHPZCA-ZDUSSCGKSA-N 1 2 331.641 3.155 20 30 EGEDLO CC#CC[N@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000292976764 455769054 /nfs/dbraw/zinc/76/90/54/455769054.db2.gz AZSWKHYEZGMIII-SFHVURJKSA-N 1 2 330.428 3.048 20 30 EGEDLO CC#CC[N@@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000292976764 455769060 /nfs/dbraw/zinc/76/90/60/455769060.db2.gz AZSWKHYEZGMIII-SFHVURJKSA-N 1 2 330.428 3.048 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000249707911 455769069 /nfs/dbraw/zinc/76/90/69/455769069.db2.gz BVHRDAKNICTGOU-CRAIPNDOSA-N 1 2 348.874 3.302 20 30 EGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000249707911 455769076 /nfs/dbraw/zinc/76/90/76/455769076.db2.gz BVHRDAKNICTGOU-CRAIPNDOSA-N 1 2 348.874 3.302 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000193694566 455771722 /nfs/dbraw/zinc/77/17/22/455771722.db2.gz YPMOZODOCCOLPA-LBPRGKRZSA-N 1 2 342.270 3.433 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000193694566 455771725 /nfs/dbraw/zinc/77/17/25/455771725.db2.gz YPMOZODOCCOLPA-LBPRGKRZSA-N 1 2 342.270 3.433 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000250152355 455785695 /nfs/dbraw/zinc/78/56/95/455785695.db2.gz YMNMNGROGJNXNB-HUUCEWRRSA-N 1 2 336.501 3.151 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000250152355 455785699 /nfs/dbraw/zinc/78/56/99/455785699.db2.gz YMNMNGROGJNXNB-HUUCEWRRSA-N 1 2 336.501 3.151 20 30 EGEDLO C#CCCOc1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000294273409 455809592 /nfs/dbraw/zinc/80/95/92/455809592.db2.gz DHUDGBOBJVSBMJ-UHFFFAOYSA-N 1 2 349.434 3.014 20 30 EGEDLO C=C(C)CN(Cc1ccccc1)C(=O)NCc1c[nH+]ccc1OC ZINC000294439599 455815948 /nfs/dbraw/zinc/81/59/48/455815948.db2.gz ZUQCMUPOGONPEK-UHFFFAOYSA-N 1 2 325.412 3.378 20 30 EGEDLO CC(C)[N@@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C1COC1 ZINC000295311552 455846239 /nfs/dbraw/zinc/84/62/39/455846239.db2.gz FZTSPXZKWYVLHU-AWEZNQCLSA-N 1 2 347.484 3.129 20 30 EGEDLO CC(C)[N@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C1COC1 ZINC000295311552 455846245 /nfs/dbraw/zinc/84/62/45/455846245.db2.gz FZTSPXZKWYVLHU-AWEZNQCLSA-N 1 2 347.484 3.129 20 30 EGEDLO CC(C)(C(=O)N1CCC(n2cc[nH+]c2)CC1)c1cc(F)cc(C#N)c1 ZINC000285476684 455853776 /nfs/dbraw/zinc/85/37/76/455853776.db2.gz BACLFGSJMGZHQY-UHFFFAOYSA-N 1 2 340.402 3.035 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2c(F)cncc2F)c(C#N)c1C ZINC000285508175 455859923 /nfs/dbraw/zinc/85/99/23/455859923.db2.gz DFBFLVVBPOVPNE-UWVGGRQHSA-N 1 2 348.353 3.119 20 30 EGEDLO C=C(C)[C@H](CC(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C)OCC ZINC000270086565 455875119 /nfs/dbraw/zinc/87/51/19/455875119.db2.gz WIDQRQCJQAFJGZ-IBGZPJMESA-N 1 2 346.471 3.137 20 30 EGEDLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[NH+]1CCC(C)(C#N)CC1 ZINC000272551776 455990347 /nfs/dbraw/zinc/99/03/47/455990347.db2.gz KTALLBGFYVFUFU-GFCCVEGCSA-N 1 2 337.370 3.241 20 30 EGEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000286266045 456011889 /nfs/dbraw/zinc/01/18/89/456011889.db2.gz BEMXDJVXOKEGSI-AWEZNQCLSA-N 1 2 346.736 3.139 20 30 EGEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000286266045 456011893 /nfs/dbraw/zinc/01/18/93/456011893.db2.gz BEMXDJVXOKEGSI-AWEZNQCLSA-N 1 2 346.736 3.139 20 30 EGEDLO COCc1ccc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000271052342 456111798 /nfs/dbraw/zinc/11/17/98/456111798.db2.gz XBGKQMHRSPHSSL-UHFFFAOYSA-N 1 2 335.451 3.022 20 30 EGEDLO CC(C)(C)c1ncc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)s1 ZINC000271055182 456114594 /nfs/dbraw/zinc/11/45/94/456114594.db2.gz YWGAHCDSVOGBSO-UHFFFAOYSA-N 1 2 341.484 3.029 20 30 EGEDLO CCC[N@H+](CC(=O)OCC)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000271115759 456130055 /nfs/dbraw/zinc/13/00/55/456130055.db2.gz BNIVYKQMKGZRCE-UHFFFAOYSA-N 1 2 348.443 3.153 20 30 EGEDLO CCC[N@@H+](CC(=O)OCC)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000271115759 456130059 /nfs/dbraw/zinc/13/00/59/456130059.db2.gz BNIVYKQMKGZRCE-UHFFFAOYSA-N 1 2 348.443 3.153 20 30 EGEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+](CC(=O)Nc1cccc(C#N)c1)C2 ZINC000289765682 456140597 /nfs/dbraw/zinc/14/05/97/456140597.db2.gz ZKTCQEMJLZBJKB-UHFFFAOYSA-N 1 2 347.418 3.053 20 30 EGEDLO COc1ccc2c(c1)C1(CC1)C[N@H+](CC(=O)Nc1cccc(C#N)c1)C2 ZINC000289765682 456140602 /nfs/dbraw/zinc/14/06/02/456140602.db2.gz ZKTCQEMJLZBJKB-UHFFFAOYSA-N 1 2 347.418 3.053 20 30 EGEDLO CN(C(=O)Cc1ccc(C#N)cc1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352763164 456285695 /nfs/dbraw/zinc/28/56/95/456285695.db2.gz MBSUJBQMCXCLBB-IBGZPJMESA-N 1 2 330.391 3.072 20 30 EGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(Cl)ccc2OCC2CC2)C1=O ZINC000337200655 456335768 /nfs/dbraw/zinc/33/57/68/456335768.db2.gz BYDWFVXLGLNQJU-KRWDZBQOSA-N 1 2 348.874 3.348 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(Cl)ccc2OCC2CC2)C1=O ZINC000337200655 456335775 /nfs/dbraw/zinc/33/57/75/456335775.db2.gz BYDWFVXLGLNQJU-KRWDZBQOSA-N 1 2 348.874 3.348 20 30 EGEDLO C#C[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C(C)C ZINC000298148168 456375527 /nfs/dbraw/zinc/37/55/27/456375527.db2.gz ZPVGEHJVLJHAKS-OTWHNJEPSA-N 1 2 336.439 3.069 20 30 EGEDLO C#CCCOc1ccc(C[NH2+][C@H](C)c2noc(COC(C)C)n2)cc1 ZINC000290785974 456429165 /nfs/dbraw/zinc/42/91/65/456429165.db2.gz DFJQLDZDQVWHMY-OAHLLOKOSA-N 1 2 343.427 3.248 20 30 EGEDLO C=CCOCCC[N@@H+]1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000347972103 456433552 /nfs/dbraw/zinc/43/35/52/456433552.db2.gz ZREARJXHXJBFLC-MRXNPFEDSA-N 1 2 340.261 3.415 20 30 EGEDLO C=CCOCCC[N@H+]1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000347972103 456433559 /nfs/dbraw/zinc/43/35/59/456433559.db2.gz ZREARJXHXJBFLC-MRXNPFEDSA-N 1 2 340.261 3.415 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000343283643 456506169 /nfs/dbraw/zinc/50/61/69/456506169.db2.gz DGICFHSDPWBPNP-NVXWUHKLSA-N 1 2 341.480 3.430 20 30 EGEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000337742899 456518994 /nfs/dbraw/zinc/51/89/94/456518994.db2.gz MEYJAQCPCDGQQI-UHFFFAOYSA-N 1 2 336.399 3.084 20 30 EGEDLO C=CCOc1ccccc1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343370680 456567611 /nfs/dbraw/zinc/56/76/11/456567611.db2.gz SJXALGQKQRPYLW-UHFFFAOYSA-N 1 2 334.379 3.144 20 30 EGEDLO C[C@H](c1cnccn1)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348304652 456608238 /nfs/dbraw/zinc/60/82/38/456608238.db2.gz HYINJMOJWVAERG-KDOFPFPSSA-N 1 2 341.846 3.073 20 30 EGEDLO CSc1ccccc1C[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000348325378 456625207 /nfs/dbraw/zinc/62/52/07/456625207.db2.gz HPFGWDWMFYSGEC-UHFFFAOYSA-N 1 2 339.464 3.028 20 30 EGEDLO CSc1ccccc1C[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000348325378 456625211 /nfs/dbraw/zinc/62/52/11/456625211.db2.gz HPFGWDWMFYSGEC-UHFFFAOYSA-N 1 2 339.464 3.028 20 30 EGEDLO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)c1F ZINC000340744764 456664187 /nfs/dbraw/zinc/66/41/87/456664187.db2.gz OWVTUFZVBILACC-UHFFFAOYSA-N 1 2 337.398 3.045 20 30 EGEDLO N#Cc1cccc(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)c1F ZINC000340744764 456664195 /nfs/dbraw/zinc/66/41/95/456664195.db2.gz OWVTUFZVBILACC-UHFFFAOYSA-N 1 2 337.398 3.045 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)[C@H](C)c1ccccn1)CCC2 ZINC000328648894 456726673 /nfs/dbraw/zinc/72/66/73/456726673.db2.gz IIVQOKYUBWDHJH-CABCVRRESA-N 1 2 327.432 3.071 20 30 EGEDLO CC1(C)C[N@H+](CCNC(=O)c2coc(C3CCCCC3)n2)CCO1 ZINC000328734666 456747989 /nfs/dbraw/zinc/74/79/89/456747989.db2.gz IMVQHJUSPNQBLK-UHFFFAOYSA-N 1 2 335.448 3.138 20 30 EGEDLO CC1(C)C[N@@H+](CCNC(=O)c2coc(C3CCCCC3)n2)CCO1 ZINC000328734666 456747996 /nfs/dbraw/zinc/74/79/96/456747996.db2.gz IMVQHJUSPNQBLK-UHFFFAOYSA-N 1 2 335.448 3.138 20 30 EGEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2nc(C(C)(C)C)cs2)C1 ZINC000328769437 456757617 /nfs/dbraw/zinc/75/76/17/456757617.db2.gz IMYDSIVUADOZNF-NSHDSACASA-N 1 2 333.461 3.209 20 30 EGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccc3c(c1)OCC(=O)N3)CCC2 ZINC000328785253 456759271 /nfs/dbraw/zinc/75/92/71/456759271.db2.gz KKFOYHNCLPFOLO-CYBMUJFWSA-N 1 2 340.383 3.054 20 30 EGEDLO O=C(NCc1cn2c([nH+]1)CCCC2)c1cnc([C@@H]2CCCO2)s1 ZINC000328821224 456768395 /nfs/dbraw/zinc/76/83/95/456768395.db2.gz FPLNGKHZSJHGHB-LBPRGKRZSA-N 1 2 332.429 3.032 20 30 EGEDLO C[C@@H]1C[C@@H](C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CCC1=O ZINC000328936597 456794722 /nfs/dbraw/zinc/79/47/22/456794722.db2.gz FYYTYQMKFCSSPU-WBVHZDCISA-N 1 2 343.471 3.027 20 30 EGEDLO COc1cccc2c(N3CC[C@@H](Oc4ccc(C#N)cn4)C3)cc[nH+]c12 ZINC000291912046 456796461 /nfs/dbraw/zinc/79/64/61/456796461.db2.gz QVSGDLWWKRSYDN-OAHLLOKOSA-N 1 2 346.390 3.168 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cnc2cccc(C)n12 ZINC000348654851 456802831 /nfs/dbraw/zinc/80/28/31/456802831.db2.gz YBJLRVTXDKRVQN-UHFFFAOYSA-N 1 2 325.412 3.306 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cnc2cccc(C)n12 ZINC000348654851 456802835 /nfs/dbraw/zinc/80/28/35/456802835.db2.gz YBJLRVTXDKRVQN-UHFFFAOYSA-N 1 2 325.412 3.306 20 30 EGEDLO Cc1noc([C@@H]2CC[N@H+](CC(=O)Nc3sc(C)c(C)c3C)C2)n1 ZINC000329044720 456821089 /nfs/dbraw/zinc/82/10/89/456821089.db2.gz PLSKLWLNYFWNEZ-CYBMUJFWSA-N 1 2 334.445 3.442 20 30 EGEDLO Cc1noc([C@@H]2CC[N@@H+](CC(=O)Nc3sc(C)c(C)c3C)C2)n1 ZINC000329044720 456821094 /nfs/dbraw/zinc/82/10/94/456821094.db2.gz PLSKLWLNYFWNEZ-CYBMUJFWSA-N 1 2 334.445 3.442 20 30 EGEDLO Cc1ncoc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000329057089 456824625 /nfs/dbraw/zinc/82/46/25/456824625.db2.gz SVAZKYJATMFISH-HUUCEWRRSA-N 1 2 349.818 3.013 20 30 EGEDLO Cc1ncoc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000329057089 456824631 /nfs/dbraw/zinc/82/46/31/456824631.db2.gz SVAZKYJATMFISH-HUUCEWRRSA-N 1 2 349.818 3.013 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329064777 456826499 /nfs/dbraw/zinc/82/64/99/456826499.db2.gz KQYHIJYHCMHSHA-NLEPDTAZSA-N 1 2 338.492 3.038 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329064777 456826503 /nfs/dbraw/zinc/82/65/03/456826503.db2.gz KQYHIJYHCMHSHA-NLEPDTAZSA-N 1 2 338.492 3.038 20 30 EGEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@]3(C)CCCOC3)cn2c1 ZINC000329161197 456845243 /nfs/dbraw/zinc/84/52/43/456845243.db2.gz YVIMAGJFULXGEZ-QGZVFWFLSA-N 1 2 333.457 3.402 20 30 EGEDLO CCO[C@@H]1C[C@H](NC(=O)[C@H](c2c[nH+]cn2C)N(C)C)C12CCCCC2 ZINC000329179634 456849474 /nfs/dbraw/zinc/84/94/74/456849474.db2.gz DBTLCULKIBNNQB-BBWFWOEESA-N 1 2 348.491 3.107 20 30 EGEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2[C@H](C)[C@@H](OC)C2(C)C)C1 ZINC000329281520 456866310 /nfs/dbraw/zinc/86/63/10/456866310.db2.gz NHGSFGRIRSIBIT-XOSAIJSUSA-N 1 2 348.491 3.056 20 30 EGEDLO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329285814 456866633 /nfs/dbraw/zinc/86/66/33/456866633.db2.gz ONDQGJFYOGCBHA-NXHRZFHOSA-N 1 2 338.492 3.038 20 30 EGEDLO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329285814 456866638 /nfs/dbraw/zinc/86/66/38/456866638.db2.gz ONDQGJFYOGCBHA-NXHRZFHOSA-N 1 2 338.492 3.038 20 30 EGEDLO N#CCCCN1C(=O)CCc2cc(Nc3[nH+]cnc4[nH]ccc43)ccc21 ZINC000344853947 456868120 /nfs/dbraw/zinc/86/81/20/456868120.db2.gz FVBVJUGOPCFDIT-UHFFFAOYSA-N 1 2 346.394 3.284 20 30 EGEDLO O=C(Nc1cnc2c(c1)CCCC2)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329488214 456898369 /nfs/dbraw/zinc/89/83/69/456898369.db2.gz YAKFCOSMNKXJHK-AWEZNQCLSA-N 1 2 325.416 3.109 20 30 EGEDLO CC1(C)C[N@H+](CC(=O)Nc2nc3c(s2)CCC3)[C@@H]1[C@@H]1CCCO1 ZINC000329808163 456943733 /nfs/dbraw/zinc/94/37/33/456943733.db2.gz BPLNMZYQWHIUSG-SWLSCSKDSA-N 1 2 335.473 3.109 20 30 EGEDLO CC1(C)C[N@@H+](CC(=O)Nc2nc3c(s2)CCC3)[C@@H]1[C@@H]1CCCO1 ZINC000329808163 456943736 /nfs/dbraw/zinc/94/37/36/456943736.db2.gz BPLNMZYQWHIUSG-SWLSCSKDSA-N 1 2 335.473 3.109 20 30 EGEDLO Cn1cc2c(n1)CCC[C@H]2C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000329847789 456950436 /nfs/dbraw/zinc/95/04/36/456950436.db2.gz RDLOMVCFWZTBPY-CYBMUJFWSA-N 1 2 343.818 3.298 20 30 EGEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000329846058 456950519 /nfs/dbraw/zinc/95/05/19/456950519.db2.gz MBGZVQBQTOITNM-CGTJXYLNSA-N 1 2 343.471 3.466 20 30 EGEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000329846058 456950523 /nfs/dbraw/zinc/95/05/23/456950523.db2.gz MBGZVQBQTOITNM-CGTJXYLNSA-N 1 2 343.471 3.466 20 30 EGEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000329903092 456958763 /nfs/dbraw/zinc/95/87/63/456958763.db2.gz PVPUBZKAXWHGFY-XJKCOSOUSA-N 1 2 337.464 3.077 20 30 EGEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000329903092 456958766 /nfs/dbraw/zinc/95/87/66/456958766.db2.gz PVPUBZKAXWHGFY-XJKCOSOUSA-N 1 2 337.464 3.077 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329909144 456959597 /nfs/dbraw/zinc/95/95/97/456959597.db2.gz MHIXSXJQJMWMRD-FJANGAQTSA-N 1 2 338.492 3.036 20 30 EGEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329909144 456959600 /nfs/dbraw/zinc/95/96/00/456959600.db2.gz MHIXSXJQJMWMRD-FJANGAQTSA-N 1 2 338.492 3.036 20 30 EGEDLO CC[C@@H]1C[N@@H+]([C@H](C(=O)NC2CC2)c2ccccc2)C[C@]2(CCOC2)O1 ZINC000330083706 456982613 /nfs/dbraw/zinc/98/26/13/456982613.db2.gz BOBLPNRFVNGORQ-HBFSDRIKSA-N 1 2 344.455 3.117 20 30 EGEDLO CC[C@@H]1C[N@H+]([C@H](C(=O)NC2CC2)c2ccccc2)C[C@]2(CCOC2)O1 ZINC000330083706 456982617 /nfs/dbraw/zinc/98/26/17/456982617.db2.gz BOBLPNRFVNGORQ-HBFSDRIKSA-N 1 2 344.455 3.117 20 30 EGEDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1ccc(C2CCC2)cc1 ZINC000330209897 457003875 /nfs/dbraw/zinc/00/38/75/457003875.db2.gz HXRXKWVZDSYHJD-UHFFFAOYSA-N 1 2 331.460 3.391 20 30 EGEDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1ccc(C2CCC2)cc1 ZINC000330209897 457003878 /nfs/dbraw/zinc/00/38/78/457003878.db2.gz HXRXKWVZDSYHJD-UHFFFAOYSA-N 1 2 331.460 3.391 20 30 EGEDLO C[C@H](NC(=O)Nc1ccc(C2CCC2)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000330226244 457006137 /nfs/dbraw/zinc/00/61/37/457006137.db2.gz UIPFYVDSEKPTSI-GJZGRUSLSA-N 1 2 331.460 3.389 20 30 EGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@H]1CCCC(F)(F)C1)C2 ZINC000330223164 457006456 /nfs/dbraw/zinc/00/64/56/457006456.db2.gz MYFLAAJNVLUXCN-LBPRGKRZSA-N 1 2 340.418 3.394 20 30 EGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCc1scnc1C ZINC000330282130 457021030 /nfs/dbraw/zinc/02/10/30/457021030.db2.gz VDUSHCAUCKPWGI-CYBMUJFWSA-N 1 2 333.461 3.309 20 30 EGEDLO CCN1CCN(C(=O)Nc2c(C)cccc2Cl)C[C@H]1c1[nH]cc[nH+]1 ZINC000330317894 457025531 /nfs/dbraw/zinc/02/55/31/457025531.db2.gz BZIPIZGICDEAOC-AWEZNQCLSA-N 1 2 347.850 3.296 20 30 EGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)Nc1cccc2c1OCO2 ZINC000330345840 457033414 /nfs/dbraw/zinc/03/34/14/457033414.db2.gz FRNSHLHVPNORBG-CQSZACIVSA-N 1 2 342.399 3.404 20 30 EGEDLO CCc1cccc(C)c1NC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000330351744 457033943 /nfs/dbraw/zinc/03/39/43/457033943.db2.gz MQLWMMOTCXYDBZ-INIZCTEOSA-N 1 2 341.459 3.205 20 30 EGEDLO Cc1ccc(F)cc1NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330361762 457035217 /nfs/dbraw/zinc/03/52/17/457035217.db2.gz YTHRWRLFDNLPAE-CJNGLKHVSA-N 1 2 332.379 3.114 20 30 EGEDLO COCC1(C#N)CC[NH+]([C@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000341996053 457049630 /nfs/dbraw/zinc/04/96/30/457049630.db2.gz RTBLSLYWJMNFRV-CQSZACIVSA-N 1 2 326.400 3.050 20 30 EGEDLO COCC1(C#N)CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2C)CC1 ZINC000341996143 457050219 /nfs/dbraw/zinc/05/02/19/457050219.db2.gz VMJBWXDBTNJSFX-AWEZNQCLSA-N 1 2 349.862 3.228 20 30 EGEDLO C#CCOc1ccc(C[NH2+][C@@H](c2nccn2C)c2ccccc2F)cc1 ZINC000362719472 457059523 /nfs/dbraw/zinc/05/95/23/457059523.db2.gz KKUSPNKZTJRSBB-HXUWFJFHSA-N 1 2 349.409 3.450 20 30 EGEDLO CCC[N@H+](CC(=O)N(CC)CCC#N)Cc1c(F)cccc1Cl ZINC000346670903 457104454 /nfs/dbraw/zinc/10/44/54/457104454.db2.gz LFMAHSYRKLGGNB-UHFFFAOYSA-N 1 2 339.842 3.453 20 30 EGEDLO CCC[N@@H+](CC(=O)N(CC)CCC#N)Cc1c(F)cccc1Cl ZINC000346670903 457104456 /nfs/dbraw/zinc/10/44/56/457104456.db2.gz LFMAHSYRKLGGNB-UHFFFAOYSA-N 1 2 339.842 3.453 20 30 EGEDLO COc1cc(C#N)ccc1C[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000339443991 457123377 /nfs/dbraw/zinc/12/33/77/457123377.db2.gz DJEYXAJDNCMXSG-INIZCTEOSA-N 1 2 342.361 3.499 20 30 EGEDLO COc1cc(C#N)ccc1C[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000339443991 457123382 /nfs/dbraw/zinc/12/33/82/457123382.db2.gz DJEYXAJDNCMXSG-INIZCTEOSA-N 1 2 342.361 3.499 20 30 EGEDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccccc1Oc1ccccc1C#N ZINC000350061796 457158646 /nfs/dbraw/zinc/15/86/46/457158646.db2.gz ABBWNGNDRNHRBR-UHFFFAOYSA-N 1 2 332.363 3.346 20 30 EGEDLO C[C@H]1CCC[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000356769644 457159421 /nfs/dbraw/zinc/15/94/21/457159421.db2.gz KJGYOUZQVSPSNS-LPHOPBHVSA-N 1 2 325.456 3.029 20 30 EGEDLO CC(C)c1ccc(C(=O)NC(C)(C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000331344339 457170993 /nfs/dbraw/zinc/17/09/93/457170993.db2.gz LFNLOVBEHRBINX-UHFFFAOYSA-N 1 2 349.431 3.134 20 30 EGEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)Nc1ccccc1Br ZINC000331356468 457172227 /nfs/dbraw/zinc/17/22/27/457172227.db2.gz RYSVHOHPEJOLAN-LOWVWBTDSA-N 1 2 336.233 3.058 20 30 EGEDLO C=CCC[C@@H]([NH2+]Cc1n[nH]c(=O)[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000342218362 457174977 /nfs/dbraw/zinc/17/49/77/457174977.db2.gz HJOSKAATJBJQCB-GFCCVEGCSA-N 1 2 326.322 3.326 20 30 EGEDLO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(C#N)cc1)c1c(F)cccc1F ZINC000360056485 457229255 /nfs/dbraw/zinc/22/92/55/457229255.db2.gz VIDRVFWOSQTWQA-INIZCTEOSA-N 1 2 344.365 3.261 20 30 EGEDLO CC[N@H+](Cc1ccc(C#N)cc1OC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000347218520 457293209 /nfs/dbraw/zinc/29/32/09/457293209.db2.gz ABARLAUNTXACSM-LJQANCHMSA-N 1 2 349.434 3.194 20 30 EGEDLO CC[N@@H+](Cc1ccc(C#N)cc1OC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000347218520 457293213 /nfs/dbraw/zinc/29/32/13/457293213.db2.gz ABARLAUNTXACSM-LJQANCHMSA-N 1 2 349.434 3.194 20 30 EGEDLO C=CCOc1ccccc1-c1nc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000347221810 457296678 /nfs/dbraw/zinc/29/66/78/457296678.db2.gz BHDQSJFTCLCCLC-YOEHRIQHSA-N 1 2 341.411 3.227 20 30 EGEDLO C=CCOc1ccccc1-c1nc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000347221810 457296682 /nfs/dbraw/zinc/29/66/82/457296682.db2.gz BHDQSJFTCLCCLC-YOEHRIQHSA-N 1 2 341.411 3.227 20 30 EGEDLO COC(=O)C[C@](C)([NH2+]CC#Cc1cccc(Cl)c1)c1ccccn1 ZINC000351818308 457318541 /nfs/dbraw/zinc/31/85/41/457318541.db2.gz YROHCLWRUWUMEJ-IBGZPJMESA-N 1 2 342.826 3.155 20 30 EGEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000352063046 457336171 /nfs/dbraw/zinc/33/61/71/457336171.db2.gz SXDNXDNHQOXVGY-UHFFFAOYSA-N 1 2 339.317 3.266 20 30 EGEDLO Cc1ccc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cn1 ZINC000355310109 457356261 /nfs/dbraw/zinc/35/62/61/457356261.db2.gz HJRBPGNEAIOACF-IBGZPJMESA-N 1 2 340.858 3.426 20 30 EGEDLO N#CC1(F)CC[NH+](Cc2cc3c(cc2Br)OCO3)CC1 ZINC000352456704 457382387 /nfs/dbraw/zinc/38/23/87/457382387.db2.gz ABVUWBJIJCIMGS-UHFFFAOYSA-N 1 2 341.180 3.005 20 30 EGEDLO N#CC1(F)CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000352464062 457387629 /nfs/dbraw/zinc/38/76/29/457387629.db2.gz ODLUMRSRRZPEOL-UHFFFAOYSA-N 1 2 330.319 3.077 20 30 EGEDLO CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1)c1ccccc1 ZINC000352492389 457412089 /nfs/dbraw/zinc/41/20/89/457412089.db2.gz XLYKBKMLJRMAKB-WBVHZDCISA-N 1 2 331.435 3.360 20 30 EGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1ccoc1 ZINC000342635413 457418541 /nfs/dbraw/zinc/41/85/41/457418541.db2.gz KEPGLZDIXIQZMK-OAHLLOKOSA-N 1 2 341.411 3.055 20 30 EGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1ccoc1 ZINC000342635413 457418547 /nfs/dbraw/zinc/41/85/47/457418547.db2.gz KEPGLZDIXIQZMK-OAHLLOKOSA-N 1 2 341.411 3.055 20 30 EGEDLO N#Cc1ccc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000360920017 457432413 /nfs/dbraw/zinc/43/24/13/457432413.db2.gz WYAMOOMHCJALCA-UHFFFAOYSA-N 1 2 337.427 3.479 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000347521167 457482318 /nfs/dbraw/zinc/48/23/18/457482318.db2.gz PVMOTEVGZKURSU-UHFFFAOYSA-N 1 2 325.456 3.272 20 30 EGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000347521167 457482324 /nfs/dbraw/zinc/48/23/24/457482324.db2.gz PVMOTEVGZKURSU-UHFFFAOYSA-N 1 2 325.456 3.272 20 30 EGEDLO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000370456738 457651921 /nfs/dbraw/zinc/65/19/21/457651921.db2.gz KOYGUZHZOAWTHE-DLBZAZTESA-N 1 2 329.444 3.283 20 30 EGEDLO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000370456738 457651924 /nfs/dbraw/zinc/65/19/24/457651924.db2.gz KOYGUZHZOAWTHE-DLBZAZTESA-N 1 2 329.444 3.283 20 30 EGEDLO N#Cc1ccc(CNc2[nH]c(C(F)(F)F)c[nH+]2)c(C(F)(F)F)c1 ZINC000357708926 457664736 /nfs/dbraw/zinc/66/47/36/457664736.db2.gz MJSALCODEUYESA-UHFFFAOYSA-N 1 2 334.223 3.353 20 30 EGEDLO CC(C)CN1CC[N@H+](Cc2ccccc2C(C)(C)C#N)[C@@H](C)C1=O ZINC000426237630 457792896 /nfs/dbraw/zinc/79/28/96/457792896.db2.gz LSEBKAUSWAKGIF-INIZCTEOSA-N 1 2 327.472 3.176 20 30 EGEDLO CC(C)CN1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@@H](C)C1=O ZINC000426237630 457792903 /nfs/dbraw/zinc/79/29/03/457792903.db2.gz LSEBKAUSWAKGIF-INIZCTEOSA-N 1 2 327.472 3.176 20 30 EGEDLO C[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)CC(C)(C)C#N ZINC000433311111 457807248 /nfs/dbraw/zinc/80/72/48/457807248.db2.gz FWTSLYPRTGIILJ-GOSISDBHSA-N 1 2 341.480 3.435 20 30 EGEDLO C[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)CC(C)(C)C#N ZINC000433311111 457807251 /nfs/dbraw/zinc/80/72/51/457807251.db2.gz FWTSLYPRTGIILJ-GOSISDBHSA-N 1 2 341.480 3.435 20 30 EGEDLO C=CC[N@H+](Cc1cccs1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000411140827 457810832 /nfs/dbraw/zinc/81/08/32/457810832.db2.gz UTGJTJFYEPYVFR-OAHLLOKOSA-N 1 2 343.477 3.475 20 30 EGEDLO C=CC[N@@H+](Cc1cccs1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000411140827 457810841 /nfs/dbraw/zinc/81/08/41/457810841.db2.gz UTGJTJFYEPYVFR-OAHLLOKOSA-N 1 2 343.477 3.475 20 30 EGEDLO Cc1cccn2cc(CNC(=O)[C@@H](C#N)CCc3ccccc3)[nH+]c12 ZINC000433344808 457816892 /nfs/dbraw/zinc/81/68/92/457816892.db2.gz UREFLJMRKPWPAI-QGZVFWFLSA-N 1 2 332.407 3.032 20 30 EGEDLO C=CCOc1cccc(NC(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000371296019 457853123 /nfs/dbraw/zinc/85/31/23/457853123.db2.gz WLKSRHUGOKZEJB-HNNXBMFYSA-N 1 2 340.427 3.455 20 30 EGEDLO CCc1nc([C@H]2CCCC[N@@H+]2CCCC2(C#N)CCOCC2)no1 ZINC000366898712 457907841 /nfs/dbraw/zinc/90/78/41/457907841.db2.gz YIVJDCSNVVTOKL-OAHLLOKOSA-N 1 2 332.448 3.260 20 30 EGEDLO CCc1nc([C@H]2CCCC[N@H+]2CCCC2(C#N)CCOCC2)no1 ZINC000366898712 457907848 /nfs/dbraw/zinc/90/78/48/457907848.db2.gz YIVJDCSNVVTOKL-OAHLLOKOSA-N 1 2 332.448 3.260 20 30 EGEDLO CCc1c[nH+]ccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000358282863 457909325 /nfs/dbraw/zinc/90/93/25/457909325.db2.gz WYZRSPBTUSCMRY-UHFFFAOYSA-N 1 2 347.374 3.362 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(CC#N)cc1)c1cccc(F)c1 ZINC000366919652 457909720 /nfs/dbraw/zinc/90/97/20/457909720.db2.gz QEGYKZOCHAEOIC-GOSISDBHSA-N 1 2 348.381 3.145 20 30 EGEDLO N#Cc1cccc(-c2nnc(C[NH2+][C@@H]3CCCc4c(O)cccc43)o2)c1 ZINC000361923185 457957587 /nfs/dbraw/zinc/95/75/87/457957587.db2.gz BGEGFYQWAGEINA-QGZVFWFLSA-N 1 2 346.390 3.481 20 30 EGEDLO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1nnc(C(C)C)s1 ZINC000362227924 458043736 /nfs/dbraw/zinc/04/37/36/458043736.db2.gz FGLAYQUVKQOWDG-UHFFFAOYSA-N 1 2 344.484 3.331 20 30 EGEDLO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1nnc(C(C)C)s1 ZINC000362227924 458043744 /nfs/dbraw/zinc/04/37/44/458043744.db2.gz FGLAYQUVKQOWDG-UHFFFAOYSA-N 1 2 344.484 3.331 20 30 EGEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1[nH]c[nH+]c1C ZINC000358590740 458095662 /nfs/dbraw/zinc/09/56/62/458095662.db2.gz FLCAQCKOLCLCCC-UHFFFAOYSA-N 1 2 339.317 3.232 20 30 EGEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1F)C1CC1 ZINC000372103325 458194468 /nfs/dbraw/zinc/19/44/68/458194468.db2.gz SYSJKMPXUFXSLS-MJGOQNOKSA-N 1 2 347.409 3.300 20 30 EGEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F)C1CC1 ZINC000372103325 458194476 /nfs/dbraw/zinc/19/44/76/458194476.db2.gz SYSJKMPXUFXSLS-MJGOQNOKSA-N 1 2 347.409 3.300 20 30 EGEDLO N#Cc1cccc(OCCCCC(=O)Nc2cccc3[nH+]ccn32)c1 ZINC000358787593 458217485 /nfs/dbraw/zinc/21/74/85/458217485.db2.gz ZUGACHMCRGKSBC-UHFFFAOYSA-N 1 2 334.379 3.394 20 30 EGEDLO C=CC[N@@H+](CCC#N)CCOc1cc(F)cc(Br)c1 ZINC000428837566 458218286 /nfs/dbraw/zinc/21/82/86/458218286.db2.gz FLXXCVKYYVMNFT-UHFFFAOYSA-N 1 2 327.197 3.369 20 30 EGEDLO C=CC[N@H+](CCC#N)CCOc1cc(F)cc(Br)c1 ZINC000428837566 458218291 /nfs/dbraw/zinc/21/82/91/458218291.db2.gz FLXXCVKYYVMNFT-UHFFFAOYSA-N 1 2 327.197 3.369 20 30 EGEDLO C#CCN(Cc1ccccc1)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000376205663 458233115 /nfs/dbraw/zinc/23/31/15/458233115.db2.gz SCLWKHSQRHFIMI-KRWDZBQOSA-N 1 2 335.451 3.300 20 30 EGEDLO C#CCN(Cc1ccccc1)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000376205663 458233120 /nfs/dbraw/zinc/23/31/20/458233120.db2.gz SCLWKHSQRHFIMI-KRWDZBQOSA-N 1 2 335.451 3.300 20 30 EGEDLO CC(C)CN(C(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1)C(C)C ZINC000428995661 458250508 /nfs/dbraw/zinc/25/05/08/458250508.db2.gz CUXSLJPMHWBIPA-MOPGFXCFSA-N 1 2 327.472 3.119 20 30 EGEDLO CC(C)CN(C(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1)C(C)C ZINC000428995661 458250510 /nfs/dbraw/zinc/25/05/10/458250510.db2.gz CUXSLJPMHWBIPA-MOPGFXCFSA-N 1 2 327.472 3.119 20 30 EGEDLO C[N@H+](CCC#N)C[C@@H](O)CSCc1ccc(C(F)(F)F)cc1 ZINC000414123110 458315372 /nfs/dbraw/zinc/31/53/72/458315372.db2.gz JENMXWIBTBVKPP-CQSZACIVSA-N 1 2 332.391 3.145 20 30 EGEDLO COC(=O)[C@H]([NH2+]C1CCC(CSC)CC1)c1cccc(C#N)c1 ZINC000419248685 458379494 /nfs/dbraw/zinc/37/94/94/458379494.db2.gz YCISWQOLCSEJBI-QWFMPGPPSA-N 1 2 332.469 3.284 20 30 EGEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000419400054 458381059 /nfs/dbraw/zinc/38/10/59/458381059.db2.gz JXSASDUPFAGIPK-GOSISDBHSA-N 1 2 345.406 3.083 20 30 EGEDLO C=CC[N@@H+](CCC#N)Cc1cccc(I)c1 ZINC000430106874 458402225 /nfs/dbraw/zinc/40/22/25/458402225.db2.gz OIPMHWGZLWZVBH-UHFFFAOYSA-N 1 2 326.181 3.193 20 30 EGEDLO C=CC[N@H+](CCC#N)Cc1cccc(I)c1 ZINC000430106874 458402227 /nfs/dbraw/zinc/40/22/27/458402227.db2.gz OIPMHWGZLWZVBH-UHFFFAOYSA-N 1 2 326.181 3.193 20 30 EGEDLO Cc1[nH]c(C#N)cc1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000448771137 458409969 /nfs/dbraw/zinc/40/99/69/458409969.db2.gz NQYGGEVOXFUBJX-UHFFFAOYSA-N 1 2 343.456 3.136 20 30 EGEDLO C[C@H]1C[C@]1(C#N)C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000448953981 458417454 /nfs/dbraw/zinc/41/74/54/458417454.db2.gz JPPRJMYKOKGNPJ-SCLBCKFNSA-N 1 2 340.452 3.263 20 30 EGEDLO C[C@H]1C[C@]1(C#N)C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000448953981 458417456 /nfs/dbraw/zinc/41/74/56/458417456.db2.gz JPPRJMYKOKGNPJ-SCLBCKFNSA-N 1 2 340.452 3.263 20 30 EGEDLO C=CCC[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)OCC ZINC000449656447 458428545 /nfs/dbraw/zinc/42/85/45/458428545.db2.gz KXUIDXLKPYXWIB-INIZCTEOSA-N 1 2 331.391 3.203 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+](Cc2csc(CC)n2)CC1 ZINC000376953854 458429158 /nfs/dbraw/zinc/42/91/58/458429158.db2.gz HNMVWFORXBICGC-HNNXBMFYSA-N 1 2 335.517 3.342 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+](Cc2csc(CC)n2)CC1 ZINC000376953854 458429162 /nfs/dbraw/zinc/42/91/62/458429162.db2.gz HNMVWFORXBICGC-HNNXBMFYSA-N 1 2 335.517 3.342 20 30 EGEDLO COc1ccccc1[C@H](Nc1nccc(C)c1C#N)c1[nH+]ccn1C ZINC000373279238 458450749 /nfs/dbraw/zinc/45/07/49/458450749.db2.gz DRXYCYROWPEQIX-KRWDZBQOSA-N 1 2 333.395 3.205 20 30 EGEDLO N#CC1(CCC[N@H+]2CCOC[C@H]2c2ccc(F)cc2)CCOCC1 ZINC000451803909 458488734 /nfs/dbraw/zinc/48/87/34/458488734.db2.gz WELZNCUBOGTQTP-SFHVURJKSA-N 1 2 332.419 3.300 20 30 EGEDLO N#CC1(CCC[N@@H+]2CCOC[C@H]2c2ccc(F)cc2)CCOCC1 ZINC000451803909 458488742 /nfs/dbraw/zinc/48/87/42/458488742.db2.gz WELZNCUBOGTQTP-SFHVURJKSA-N 1 2 332.419 3.300 20 30 EGEDLO C=CC(C)(C)CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000454728884 458573051 /nfs/dbraw/zinc/57/30/51/458573051.db2.gz CYMJVUVXOCISME-OAHLLOKOSA-N 1 2 331.460 3.414 20 30 EGEDLO C=CC(C)(C)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000455372588 458595875 /nfs/dbraw/zinc/59/58/75/458595875.db2.gz VMDCMLAARBDNCF-OAHLLOKOSA-N 1 2 330.407 3.160 20 30 EGEDLO Cc1cc(C#N)cc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000456004296 458626673 /nfs/dbraw/zinc/62/66/73/458626673.db2.gz OFNIXJFZLQOHRP-UHFFFAOYSA-N 1 2 335.411 3.184 20 30 EGEDLO C=C[C@@H]1CCCCN1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000494182767 458637676 /nfs/dbraw/zinc/63/76/76/458637676.db2.gz MSCFPVWSALZDFT-RHSMWYFYSA-N 1 2 342.418 3.399 20 30 EGEDLO C[C@](O)(C1CC[NH+](Cc2cc(C#N)ccc2F)CC1)C(F)(F)F ZINC000546638971 458650106 /nfs/dbraw/zinc/65/01/06/458650106.db2.gz CMESBHVWOJOIQT-HNNXBMFYSA-N 1 2 330.325 3.223 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)NCC(=O)c1cccs1)Cc1ccccc1 ZINC000470915666 458662262 /nfs/dbraw/zinc/66/22/62/458662262.db2.gz FHXKTVUDJFYLCE-UHFFFAOYSA-N 1 2 342.464 3.125 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)NCC(=O)c1cccs1)Cc1ccccc1 ZINC000470915666 458662269 /nfs/dbraw/zinc/66/22/69/458662269.db2.gz FHXKTVUDJFYLCE-UHFFFAOYSA-N 1 2 342.464 3.125 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000424801173 458734859 /nfs/dbraw/zinc/73/48/59/458734859.db2.gz VRHKEECNJIZXNN-MRXNPFEDSA-N 1 2 343.471 3.264 20 30 EGEDLO C=CC[C@H](C)NC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000441165098 458894705 /nfs/dbraw/zinc/89/47/05/458894705.db2.gz FXRADVFGEMMVSN-IRXDYDNUSA-N 1 2 345.487 3.266 20 30 EGEDLO C=CC[C@H](C)NC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000441165098 458894708 /nfs/dbraw/zinc/89/47/08/458894708.db2.gz FXRADVFGEMMVSN-IRXDYDNUSA-N 1 2 345.487 3.266 20 30 EGEDLO CC1CC(C#N)(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000531562708 458936031 /nfs/dbraw/zinc/93/60/31/458936031.db2.gz HENPUOOAYIAILF-POZPTJLLSA-N 1 2 332.473 3.253 20 30 EGEDLO CC1CC(C#N)(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000531562708 458936035 /nfs/dbraw/zinc/93/60/35/458936035.db2.gz HENPUOOAYIAILF-POZPTJLLSA-N 1 2 332.473 3.253 20 30 EGEDLO CC(C)CCCCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000457386913 458940226 /nfs/dbraw/zinc/94/02/26/458940226.db2.gz LFEDMZKRCZJLHX-UHFFFAOYSA-N 1 2 327.472 3.419 20 30 EGEDLO CCc1ccc(-c2ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)o2)cc1 ZINC000576921391 458946366 /nfs/dbraw/zinc/94/63/66/458946366.db2.gz HHHDWOFUNWUCGS-LJQANCHMSA-N 1 2 325.412 3.083 20 30 EGEDLO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1 ZINC000594511423 459069876 /nfs/dbraw/zinc/06/98/76/459069876.db2.gz NAJCBHIIRIVINC-SJORKVTESA-N 1 2 337.427 3.085 20 30 EGEDLO Cc1ccc(NC(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1C ZINC000558629042 459184031 /nfs/dbraw/zinc/18/40/31/459184031.db2.gz MTFFOKQGUOKUEQ-UHFFFAOYSA-N 1 2 348.450 3.194 20 30 EGEDLO Cc1cc(C[C@H](C)Nc2cc(C)[nH+]cc2C#N)n(-c2ccccc2)n1 ZINC000578351605 459185928 /nfs/dbraw/zinc/18/59/28/459185928.db2.gz ISQZDEAZGIANBX-HNNXBMFYSA-N 1 2 331.423 3.221 20 30 EGEDLO Cc1cc(N2CC[NH+]([C@H](C)c3ccc(F)cc3F)CC2)cc(C#N)n1 ZINC000578388768 459193824 /nfs/dbraw/zinc/19/38/24/459193824.db2.gz RNUCUNSXNZUPSS-CQSZACIVSA-N 1 2 342.393 3.423 20 30 EGEDLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nc1 ZINC000590754623 459205202 /nfs/dbraw/zinc/20/52/02/459205202.db2.gz MARYFOKVPQMEKP-ZDUSSCGKSA-N 1 2 342.830 3.374 20 30 EGEDLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nc1 ZINC000590754623 459205208 /nfs/dbraw/zinc/20/52/08/459205208.db2.gz MARYFOKVPQMEKP-ZDUSSCGKSA-N 1 2 342.830 3.374 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCc1cccc(C)c1)Cc1ccccc1F ZINC000522084650 459211292 /nfs/dbraw/zinc/21/12/92/459211292.db2.gz YKVALSZRPZLAQF-UHFFFAOYSA-N 1 2 326.415 3.439 20 30 EGEDLO C=CC[N@H+](CC(=O)NCc1cccc(C)c1)Cc1ccccc1F ZINC000522084650 459211298 /nfs/dbraw/zinc/21/12/98/459211298.db2.gz YKVALSZRPZLAQF-UHFFFAOYSA-N 1 2 326.415 3.439 20 30 EGEDLO N#C[C@]1(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC12CCCC2 ZINC000579916702 459252817 /nfs/dbraw/zinc/25/28/17/459252817.db2.gz JFSZRJVAMFEOHT-NRFANRHFSA-N 1 2 348.450 3.064 20 30 EGEDLO Cc1[nH+]c2cc(NC(=O)CCCCCC#N)ccc2n1[C@H](C)CO ZINC000590883609 459257658 /nfs/dbraw/zinc/25/76/58/459257658.db2.gz JKSQUSMPNKDCHH-CYBMUJFWSA-N 1 2 328.416 3.311 20 30 EGEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595296391 459270771 /nfs/dbraw/zinc/27/07/71/459270771.db2.gz CJKSTIXVRKFRRZ-UHFFFAOYSA-N 1 2 343.358 3.254 20 30 EGEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595296391 459270775 /nfs/dbraw/zinc/27/07/75/459270775.db2.gz CJKSTIXVRKFRRZ-UHFFFAOYSA-N 1 2 343.358 3.254 20 30 EGEDLO C[C@@H]1CCN(C(=O)C[NH2+][C@H]2CCC[C@@H]2C#N)c2ccccc2S1 ZINC000590958836 459282099 /nfs/dbraw/zinc/28/20/99/459282099.db2.gz KPZFVILSDQTRAF-KFWWJZLASA-N 1 2 329.469 3.186 20 30 EGEDLO C=CCOC[C@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)C(=O)OC ZINC000482441187 459308675 /nfs/dbraw/zinc/30/86/75/459308675.db2.gz SEGSRFFNYWSHBN-RVMXOQNASA-N 1 2 343.876 3.227 20 30 EGEDLO CC1CC(C#N)(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)C1 ZINC000537916485 459367619 /nfs/dbraw/zinc/36/76/19/459367619.db2.gz VTINTBHZPKJBCK-UHFFFAOYSA-N 1 2 326.444 3.018 20 30 EGEDLO N#CC[C@@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000595614999 459368735 /nfs/dbraw/zinc/36/87/35/459368735.db2.gz NSUPJTALVHNXTP-WMLDXEAASA-N 1 2 331.847 3.461 20 30 EGEDLO N#CC[C@@H]1CCC[N@H+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000595614999 459368740 /nfs/dbraw/zinc/36/87/40/459368740.db2.gz NSUPJTALVHNXTP-WMLDXEAASA-N 1 2 331.847 3.461 20 30 EGEDLO CCN(C(=O)C[N@@H+]1CCC[C@@H](CC#N)C1)c1nc2ccccc2s1 ZINC000595613277 459368795 /nfs/dbraw/zinc/36/87/95/459368795.db2.gz BVDFSRLZUHQFGU-AWEZNQCLSA-N 1 2 342.468 3.275 20 30 EGEDLO CCN(C(=O)C[N@H+]1CCC[C@@H](CC#N)C1)c1nc2ccccc2s1 ZINC000595613277 459368802 /nfs/dbraw/zinc/36/88/02/459368802.db2.gz BVDFSRLZUHQFGU-AWEZNQCLSA-N 1 2 342.468 3.275 20 30 EGEDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000539887189 459379467 /nfs/dbraw/zinc/37/94/67/459379467.db2.gz SXDKCZJYNWOYDM-HUUCEWRRSA-N 1 2 343.446 3.476 20 30 EGEDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000539887189 459379475 /nfs/dbraw/zinc/37/94/75/459379475.db2.gz SXDKCZJYNWOYDM-HUUCEWRRSA-N 1 2 343.446 3.476 20 30 EGEDLO C[C@@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1[nH]cc[nH+]1 ZINC000560700524 459389120 /nfs/dbraw/zinc/38/91/20/459389120.db2.gz QXGHVZSDGDZJRQ-CQSZACIVSA-N 1 2 346.390 3.351 20 30 EGEDLO COC(=O)[C@@H](C)[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CCC1 ZINC000484493108 459416642 /nfs/dbraw/zinc/41/66/42/459416642.db2.gz NFVVHPRUFCXTLA-CYBMUJFWSA-N 1 2 339.357 3.473 20 30 EGEDLO COC(=O)[C@@H](C)[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CCC1 ZINC000484493108 459416645 /nfs/dbraw/zinc/41/66/45/459416645.db2.gz NFVVHPRUFCXTLA-CYBMUJFWSA-N 1 2 339.357 3.473 20 30 EGEDLO C=CC[N@@H+](CCOC)CC(=O)N(CC)c1cccc2ccccc21 ZINC000484680248 459426141 /nfs/dbraw/zinc/42/61/41/459426141.db2.gz OXUNMPIFALKOLL-UHFFFAOYSA-N 1 2 326.440 3.327 20 30 EGEDLO C=CC[N@H+](CCOC)CC(=O)N(CC)c1cccc2ccccc21 ZINC000484680248 459426147 /nfs/dbraw/zinc/42/61/47/459426147.db2.gz OXUNMPIFALKOLL-UHFFFAOYSA-N 1 2 326.440 3.327 20 30 EGEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(c2c(F)cccc2F)CC1 ZINC000485908847 459478571 /nfs/dbraw/zinc/47/85/71/459478571.db2.gz UGPKWAXZULQGIU-IBGZPJMESA-N 1 2 349.425 3.199 20 30 EGEDLO COc1ccc2ncc(C#N)c(N3CC[C@@H](Oc4cc[nH+]cc4)C3)c2c1 ZINC000591935208 459490559 /nfs/dbraw/zinc/49/05/59/459490559.db2.gz LRCXCZHFMGGAKD-QGZVFWFLSA-N 1 2 346.390 3.168 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149635 459538255 /nfs/dbraw/zinc/53/82/55/459538255.db2.gz SPSIJFPYKSKFMM-HRAATJIYSA-N 1 2 349.434 3.031 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149635 459538259 /nfs/dbraw/zinc/53/82/59/459538259.db2.gz SPSIJFPYKSKFMM-HRAATJIYSA-N 1 2 349.434 3.031 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000488570692 459547488 /nfs/dbraw/zinc/54/74/88/459547488.db2.gz VVPDDXFJGDLSKK-KRWDZBQOSA-N 1 2 338.386 3.066 20 30 EGEDLO C=CCn1cccc1C(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000488939380 459556071 /nfs/dbraw/zinc/55/60/71/459556071.db2.gz NGJAVIBJNQBPRD-UHFFFAOYSA-N 1 2 343.496 3.256 20 30 EGEDLO C=CCn1cccc1C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000489056764 459559871 /nfs/dbraw/zinc/55/98/71/459559871.db2.gz WIOHYSQEUMGGAL-UHFFFAOYSA-N 1 2 343.858 3.286 20 30 EGEDLO C=CCOc1ccc(-c2nnc(SCc3c[nH+]cn3C)o2)cc1 ZINC000489793460 459570726 /nfs/dbraw/zinc/57/07/26/459570726.db2.gz CJGAHRRVEHPJNF-UHFFFAOYSA-N 1 2 328.397 3.327 20 30 EGEDLO C#CC[NH+]1CCN(Cn2ccc(-c3cc(Cl)ccc3Cl)n2)CC1 ZINC000490657250 459582773 /nfs/dbraw/zinc/58/27/73/459582773.db2.gz RSDAHBFKPAFAHD-UHFFFAOYSA-N 1 2 349.265 3.065 20 30 EGEDLO COc1cc(C)[nH+]c(COc2nc(C)c(C#N)cc2Br)c1 ZINC000596285376 459584808 /nfs/dbraw/zinc/58/48/08/459584808.db2.gz JROJSMCZVMDJIU-UHFFFAOYSA-N 1 2 348.200 3.315 20 30 EGEDLO C=CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)c1nc2c(s1)CCCC2 ZINC000583815470 459600871 /nfs/dbraw/zinc/60/08/71/459600871.db2.gz NQYLCRRFICOOQQ-CYBMUJFWSA-N 1 2 330.457 3.389 20 30 EGEDLO C#CC(C)(C)[N@H+](C)Cc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000491165841 459601420 /nfs/dbraw/zinc/60/14/20/459601420.db2.gz NLPONRXKKOQBHD-UHFFFAOYSA-N 1 2 341.480 3.476 20 30 EGEDLO C#CC(C)(C)[N@@H+](C)Cc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000491165841 459601425 /nfs/dbraw/zinc/60/14/25/459601425.db2.gz NLPONRXKKOQBHD-UHFFFAOYSA-N 1 2 341.480 3.476 20 30 EGEDLO Cc1cc(N2CCC(CC#N)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000542865781 459605514 /nfs/dbraw/zinc/60/55/14/459605514.db2.gz SIRLLMHQPOTUFW-UHFFFAOYSA-N 1 2 337.383 3.490 20 30 EGEDLO Cc1ccc2ncc(C#N)c(NCc3ccc[nH+]c3N3CCCC3)c2c1 ZINC000596358487 459607777 /nfs/dbraw/zinc/60/77/77/459607777.db2.gz ZWZRRQCJDVAJPT-UHFFFAOYSA-N 1 2 343.434 3.444 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cnc(-c3ccccn3)s2)n1 ZINC000491553635 459637362 /nfs/dbraw/zinc/63/73/62/459637362.db2.gz BKZIMRPMNIGFSI-UHFFFAOYSA-N 1 2 337.452 3.057 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cnc(-c3ccccn3)s2)n1 ZINC000491553635 459637366 /nfs/dbraw/zinc/63/73/66/459637366.db2.gz BKZIMRPMNIGFSI-UHFFFAOYSA-N 1 2 337.452 3.057 20 30 EGEDLO C=CCN1CC[C@H]([NH2+]C2(c3c(Cl)cccc3Cl)CC2)C1=O ZINC000499607651 459641634 /nfs/dbraw/zinc/64/16/34/459641634.db2.gz RWPSKZOLANZUCT-ZDUSSCGKSA-N 1 2 325.239 3.359 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cccc(OC)c2OC(C)C)n1 ZINC000491782154 459673030 /nfs/dbraw/zinc/67/30/30/459673030.db2.gz NXRWLLIOTKQFCH-UHFFFAOYSA-N 1 2 341.455 3.334 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cccc(OC)c2OC(C)C)n1 ZINC000491782154 459673035 /nfs/dbraw/zinc/67/30/35/459673035.db2.gz NXRWLLIOTKQFCH-UHFFFAOYSA-N 1 2 341.455 3.334 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596589869 459687212 /nfs/dbraw/zinc/68/72/12/459687212.db2.gz BVKLWRCLUNJLJN-KDOFPFPSSA-N 1 2 334.423 3.363 20 30 EGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596589869 459687218 /nfs/dbraw/zinc/68/72/18/459687218.db2.gz BVKLWRCLUNJLJN-KDOFPFPSSA-N 1 2 334.423 3.363 20 30 EGEDLO CC1=CC[C@@](C)(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000596659132 459717988 /nfs/dbraw/zinc/71/79/88/459717988.db2.gz SJVKZILFCJNNMM-OAQYLSRUSA-N 1 2 337.467 3.339 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(F)s3)CC2)cc1 ZINC000596695847 459732257 /nfs/dbraw/zinc/73/22/57/459732257.db2.gz WQRCUNPGIHNKRV-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(F)s3)CC2)cc1 ZINC000596695847 459732258 /nfs/dbraw/zinc/73/22/58/459732258.db2.gz WQRCUNPGIHNKRV-UHFFFAOYSA-N 1 2 343.427 3.107 20 30 EGEDLO CC[C@H](CC#N)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000563547705 459766558 /nfs/dbraw/zinc/76/65/58/459766558.db2.gz XSMVZEVLSYQSPI-DOMZBBRYSA-N 1 2 337.370 3.065 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCn1c2ccccc2c2ccccc21 ZINC000593155255 459790379 /nfs/dbraw/zinc/79/03/79/459790379.db2.gz GBSVWRJYXOFLSQ-OAQYLSRUSA-N 1 2 348.450 3.145 20 30 EGEDLO C=C(C)[C@@H]([NH2+]Cc1coc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000528457996 459807596 /nfs/dbraw/zinc/80/75/96/459807596.db2.gz RFXSHQXVVYXNHC-MRXNPFEDSA-N 1 2 341.379 3.368 20 30 EGEDLO C=CCC1(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)CCOCC1 ZINC000566128224 459811150 /nfs/dbraw/zinc/81/11/50/459811150.db2.gz XYAVDOCPUBNJLB-UHFFFAOYSA-N 1 2 325.412 3.066 20 30 EGEDLO CC(C)Cc1ccc(CCCC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000566307866 459839806 /nfs/dbraw/zinc/83/98/06/459839806.db2.gz BJYGJQSXHZIHRD-HXUWFJFHSA-N 1 2 329.488 3.168 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(-c2cccc(F)c2)s1 ZINC000602331563 459896491 /nfs/dbraw/zinc/89/64/91/459896491.db2.gz FRPZLOCUZRKFAB-QGZVFWFLSA-N 1 2 331.416 3.128 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc2c(cn1)OCCO2 ZINC000602482272 459959154 /nfs/dbraw/zinc/95/91/54/459959154.db2.gz IIPCVXZRUFPLRF-MSOLQXFVSA-N 1 2 335.407 3.125 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc2c(cn1)OCCO2 ZINC000602482272 459959160 /nfs/dbraw/zinc/95/91/60/459959160.db2.gz IIPCVXZRUFPLRF-MSOLQXFVSA-N 1 2 335.407 3.125 20 30 EGEDLO C[NH+](C)[C@@H](CNCc1cccc(C#N)n1)c1cccc(C(F)(F)F)c1 ZINC000602620319 460026811 /nfs/dbraw/zinc/02/68/11/460026811.db2.gz VFJOIFXLFGTFBT-KRWDZBQOSA-N 1 2 348.372 3.365 20 30 EGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598946119 460097043 /nfs/dbraw/zinc/09/70/43/460097043.db2.gz CKRYPNRVYTWZHR-CYBMUJFWSA-N 1 2 336.420 3.023 20 30 EGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000594216871 460155794 /nfs/dbraw/zinc/15/57/94/460155794.db2.gz WOURSXDFEADGLF-HNNXBMFYSA-N 1 2 346.434 3.211 20 30 EGEDLO Cc1cccn2cc(CCNC(=O)Nc3cc(C#N)ccc3C)[nH+]c12 ZINC000610454137 460156116 /nfs/dbraw/zinc/15/61/16/460156116.db2.gz NOZFCAPIBFDPRE-UHFFFAOYSA-N 1 2 333.395 3.187 20 30 EGEDLO Cc1cccn2cc(CCNc3c(C#N)cnc4c(C)cccc43)[nH+]c12 ZINC000610468807 460158560 /nfs/dbraw/zinc/15/85/60/460158560.db2.gz CQSVCTQHEWXZFU-UHFFFAOYSA-N 1 2 341.418 3.448 20 30 EGEDLO C[C@@H](CC#N)[NH2+]CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000602870597 460166621 /nfs/dbraw/zinc/16/66/21/460166621.db2.gz USZXQQQOVUARIV-LIRRHRJNSA-N 1 2 341.842 3.437 20 30 EGEDLO CN(C(=O)C[N@@H+]1CC(C)(C)[C@H]1c1ccco1)C1(C#N)CCCCC1 ZINC000602925195 460187544 /nfs/dbraw/zinc/18/75/44/460187544.db2.gz IWJAVPMQXHGRIJ-QGZVFWFLSA-N 1 2 329.444 3.347 20 30 EGEDLO CN(C(=O)C[N@H+]1CC(C)(C)[C@H]1c1ccco1)C1(C#N)CCCCC1 ZINC000602925195 460187553 /nfs/dbraw/zinc/18/75/53/460187553.db2.gz IWJAVPMQXHGRIJ-QGZVFWFLSA-N 1 2 329.444 3.347 20 30 EGEDLO COC(=O)[C@@H]([NH2+]C[C@H]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000610580331 460188265 /nfs/dbraw/zinc/18/82/65/460188265.db2.gz MWHGKUSEDULLQW-JXFKEZNVSA-N 1 2 334.419 3.167 20 30 EGEDLO Cc1sc(NC(=O)C[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)c(C#N)c1C ZINC000599512605 460265341 /nfs/dbraw/zinc/26/53/41/460265341.db2.gz LGHIVKGWWDUWCP-NXEZZACHSA-N 1 2 341.427 3.398 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)c(C#N)c1C ZINC000599514565 460266349 /nfs/dbraw/zinc/26/63/49/460266349.db2.gz YASXANXTWWQDEK-NHCYSSNCSA-N 1 2 339.386 3.318 20 30 EGEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCCC(F)(F)CC1 ZINC000599553279 460274429 /nfs/dbraw/zinc/27/44/29/460274429.db2.gz YEPFWXLZHQNOJH-UHFFFAOYSA-N 1 2 339.411 3.362 20 30 EGEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCCC(F)(F)CC1 ZINC000599553279 460274433 /nfs/dbraw/zinc/27/44/33/460274433.db2.gz YEPFWXLZHQNOJH-UHFFFAOYSA-N 1 2 339.411 3.362 20 30 EGEDLO N#CCCN1CC[NH+]([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000611281938 460328030 /nfs/dbraw/zinc/32/80/30/460328030.db2.gz QOIBBJBKMHRNJC-QGZVFWFLSA-N 1 2 348.288 3.358 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccc4[nH]ccc4c3)CC2)cc1 ZINC000600106698 460384049 /nfs/dbraw/zinc/38/40/49/460384049.db2.gz GNGMOYISHFWDAL-UHFFFAOYSA-N 1 2 330.435 3.357 20 30 EGEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000615740884 460384998 /nfs/dbraw/zinc/38/49/98/460384998.db2.gz WUIIMBOYEQCUAC-GOSISDBHSA-N 1 2 336.439 3.002 20 30 EGEDLO CCOC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CC1CCC(C#N)CC1 ZINC000600595994 460539035 /nfs/dbraw/zinc/53/90/35/460539035.db2.gz SGYWJMCDAZONQT-LEOMRAHMSA-N 1 2 332.419 3.219 20 30 EGEDLO C=CCCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000617616191 460927843 /nfs/dbraw/zinc/92/78/43/460927843.db2.gz MUXBNUXKIHVSCS-HNNXBMFYSA-N 1 2 337.261 3.278 20 30 EGEDLO C=CCCn1cc(C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)nn1 ZINC000662215737 461121379 /nfs/dbraw/zinc/12/13/79/461121379.db2.gz OMSXGNPKDIGAGA-UHFFFAOYSA-N 1 2 336.439 3.295 20 30 EGEDLO C=CCCC(C)(C)NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000663657203 461738396 /nfs/dbraw/zinc/73/83/96/461738396.db2.gz BXMKVGLGXATOQW-SFHVURJKSA-N 1 2 345.487 3.104 20 30 EGEDLO C=CCCn1cc(C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)nn1 ZINC000653588878 461742036 /nfs/dbraw/zinc/74/20/36/461742036.db2.gz NLSZHQYIPXEQHB-HNNXBMFYSA-N 1 2 332.835 3.161 20 30 EGEDLO C=CCCn1cc(C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)nn1 ZINC000653588878 461742042 /nfs/dbraw/zinc/74/20/42/461742042.db2.gz NLSZHQYIPXEQHB-HNNXBMFYSA-N 1 2 332.835 3.161 20 30 EGEDLO C=CCn1cc(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)nn1 ZINC000643902062 461834256 /nfs/dbraw/zinc/83/42/56/461834256.db2.gz LKAMTAFOCZMXBM-OAHLLOKOSA-N 1 2 337.349 3.045 20 30 EGEDLO C=CCCn1cc(C[NH2+]Cc2cc(C)ccc2Br)nn1 ZINC000657492225 462155520 /nfs/dbraw/zinc/15/55/20/462155520.db2.gz ANPQYCFCBXKNRG-UHFFFAOYSA-N 1 2 335.249 3.215 20 30 EGEDLO CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000154174385 528793222 /nfs/dbraw/zinc/79/32/22/528793222.db2.gz QNGSZUDNIVIPMA-LJQANCHMSA-N 1 2 338.407 3.303 20 30 EGEDLO CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000154174385 528793224 /nfs/dbraw/zinc/79/32/24/528793224.db2.gz QNGSZUDNIVIPMA-LJQANCHMSA-N 1 2 338.407 3.303 20 30 EGEDLO CN(CC12CC3CC(CC(C3)C1)C2)C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329708219 547506032 /nfs/dbraw/zinc/50/60/32/547506032.db2.gz KYVDQSDVFIAWMN-FYMRZPMTSA-N 1 2 342.487 3.329 20 30 EGEDLO CN(CC12CC3CC(CC(C3)C1)C2)C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329708219 547506035 /nfs/dbraw/zinc/50/60/35/547506035.db2.gz KYVDQSDVFIAWMN-FYMRZPMTSA-N 1 2 342.487 3.329 20 30 EGEDLO C=CC[N@H+](Cc1cnnn1-c1ccccc1)Cc1ccc(OC)cc1 ZINC000675895453 548998359 /nfs/dbraw/zinc/99/83/59/548998359.db2.gz KGCWYIUAVFJEAD-UHFFFAOYSA-N 1 2 334.423 3.464 20 30 EGEDLO C=CC[N@@H+](Cc1cnnn1-c1ccccc1)Cc1ccc(OC)cc1 ZINC000675895453 548998365 /nfs/dbraw/zinc/99/83/65/548998365.db2.gz KGCWYIUAVFJEAD-UHFFFAOYSA-N 1 2 334.423 3.464 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000682361070 550089107 /nfs/dbraw/zinc/08/91/07/550089107.db2.gz IBNDIHPJCQXDAD-HNAYVOBHSA-N 1 2 333.476 3.433 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000682361070 550089108 /nfs/dbraw/zinc/08/91/08/550089108.db2.gz IBNDIHPJCQXDAD-HNAYVOBHSA-N 1 2 333.476 3.433 20 30 EGEDLO O=C(Nc1ccccc1C#Cc1ccccc1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682507393 550108028 /nfs/dbraw/zinc/10/80/28/550108028.db2.gz LNOXLDVAUDIEKD-LJQANCHMSA-N 1 2 341.414 3.484 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000726070782 574539471 /nfs/dbraw/zinc/53/94/71/574539471.db2.gz AAYVPBAYMLIXSK-GFCCVEGCSA-N 1 2 333.270 3.226 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000726070782 574539473 /nfs/dbraw/zinc/53/94/73/574539473.db2.gz AAYVPBAYMLIXSK-GFCCVEGCSA-N 1 2 333.270 3.226 20 30 EGEDLO C#Cc1cccc(NC(=S)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000726461957 574557180 /nfs/dbraw/zinc/55/71/80/574557180.db2.gz CZDILKWPCFJVGV-UHFFFAOYSA-N 1 2 346.459 3.399 20 30 EGEDLO O=C(/C=C/c1[nH+]ccn1CC(F)(F)F)c1ccc2c(c1)CCC(=O)N2 ZINC000728698498 574767363 /nfs/dbraw/zinc/76/73/63/574767363.db2.gz KKTFBNWYCVYALS-SNAWJCMRSA-N 1 2 349.312 3.226 20 30 EGEDLO C=C(Br)CN1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000729032472 574807674 /nfs/dbraw/zinc/80/76/74/574807674.db2.gz AXEOOCFOZJUZGL-CQSZACIVSA-N 1 2 339.277 3.282 20 30 EGEDLO C#CCOc1cccc(NC(=O)Cn2c(CC)[nH+]c3ccccc32)c1 ZINC000730976664 575041866 /nfs/dbraw/zinc/04/18/66/575041866.db2.gz WXXVBOLZMQDFHX-UHFFFAOYSA-N 1 2 333.391 3.249 20 30 EGEDLO C=CCN(C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C)C(C)C ZINC000734675504 575540185 /nfs/dbraw/zinc/54/01/85/575540185.db2.gz KLEAUBJERNRJMB-OAHLLOKOSA-N 1 2 325.403 3.174 20 30 EGEDLO COc1ccc([C@H](NC(=O)C[N@H+](CCC#N)CC(C)C)C2CC2)cc1 ZINC000739913888 576518326 /nfs/dbraw/zinc/51/83/26/576518326.db2.gz SMKWOIBUPBAQKB-HXUWFJFHSA-N 1 2 343.471 3.134 20 30 EGEDLO COc1ccc([C@H](NC(=O)C[N@@H+](CCC#N)CC(C)C)C2CC2)cc1 ZINC000739913888 576518328 /nfs/dbraw/zinc/51/83/28/576518328.db2.gz SMKWOIBUPBAQKB-HXUWFJFHSA-N 1 2 343.471 3.134 20 30 EGEDLO C=CC[N@H+](Cc1ccccc1)CN1C(=O)C[C@](C)(CC(C)C)C1=O ZINC000740853815 576629289 /nfs/dbraw/zinc/62/92/89/576629289.db2.gz GJEJJWYUSYEELH-FQEVSTJZSA-N 1 2 328.456 3.443 20 30 EGEDLO C=CC[N@@H+](Cc1ccccc1)CN1C(=O)C[C@](C)(CC(C)C)C1=O ZINC000740853815 576629290 /nfs/dbraw/zinc/62/92/90/576629290.db2.gz GJEJJWYUSYEELH-FQEVSTJZSA-N 1 2 328.456 3.443 20 30 EGEDLO CC[N@H+](C)[C@H](C(=O)OCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000741150921 576661255 /nfs/dbraw/zinc/66/12/55/576661255.db2.gz PUPNRKHIGDCNIB-IBGZPJMESA-N 1 2 338.407 3.173 20 30 EGEDLO CC[N@@H+](C)[C@H](C(=O)OCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000741150921 576661256 /nfs/dbraw/zinc/66/12/56/576661256.db2.gz PUPNRKHIGDCNIB-IBGZPJMESA-N 1 2 338.407 3.173 20 30 EGEDLO C#CCOc1ccc(Br)cc1C[NH2+]Cc1cc(CC)no1 ZINC000741258943 576669301 /nfs/dbraw/zinc/66/93/01/576669301.db2.gz SDNRSJXRHPNRCM-UHFFFAOYSA-N 1 2 349.228 3.301 20 30 EGEDLO CC(=[NH+]Nc1ccc(Cl)nc1)c1cccc(N2CCOCC2)c1 ZINC000743449825 576809410 /nfs/dbraw/zinc/80/94/10/576809410.db2.gz GGASGQHMALMEGE-UHFFFAOYSA-N 1 2 330.819 3.408 20 30 EGEDLO CN(C)c1ccc(C=[NH+]Nc2ccnc(Br)c2)s1 ZINC000769812622 1303178792 /nfs/dbraw/zinc/17/87/92/1303178792.db2.gz HWSYEEHUEQBGBF-UHFFFAOYSA-N 1 2 325.235 3.418 20 30 EGEDLO CCCCC[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022879772 1291226141 /nfs/dbraw/zinc/22/61/41/1291226141.db2.gz GOTOBVCYDQKIGP-KRWDZBQOSA-N 1 2 342.487 3.354 20 30 EGEDLO Cc1ccccc1-c1noc(CO[NH+]=C(N)c2ccc(F)c(C)c2)n1 ZINC000063457726 1292009912 /nfs/dbraw/zinc/00/99/12/1292009912.db2.gz CEGOUVILKCNCCB-UHFFFAOYSA-N 1 2 340.358 3.330 20 30 EGEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@H](C)OC(C)(C)C2)cc1 ZINC000068475745 1292203386 /nfs/dbraw/zinc/20/33/86/1292203386.db2.gz QWFAZCPOLIQINS-IRXDYDNUSA-N 1 2 343.471 3.130 20 30 EGEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@H](C)OC(C)(C)C2)cc1 ZINC000068475745 1292203394 /nfs/dbraw/zinc/20/33/94/1292203394.db2.gz QWFAZCPOLIQINS-IRXDYDNUSA-N 1 2 343.471 3.130 20 30 EGEDLO C=CCCN(OCc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000832721766 1293039994 /nfs/dbraw/zinc/03/99/94/1293039994.db2.gz OSWQXXZYXCYHRR-IAGOWNOFSA-N 1 2 325.412 3.060 20 30 EGEDLO COc1ccc(CC(N)=[NH+]OCc2ccc(F)c(F)c2)cc1OC ZINC000117868620 1293225557 /nfs/dbraw/zinc/22/55/57/1293225557.db2.gz FAXKVQDIFDLHBH-UHFFFAOYSA-N 1 2 336.338 3.014 20 30 EGEDLO COc1cccc(/C=[NH+]/CC2CCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000131203816 1293683292 /nfs/dbraw/zinc/68/32/92/1293683292.db2.gz RIENYLVQLOPEII-DEDYPNTBSA-N 1 2 348.443 3.467 20 30 EGEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)c2nc(-c3ccccc3)no2)cc1 ZINC000157096415 1294169013 /nfs/dbraw/zinc/16/90/13/1294169013.db2.gz QWOUBJIUYRQOKG-LBPRGKRZSA-N 1 2 338.367 3.143 20 30 EGEDLO NC(=[NH+]OCc1ncc(-c2ccccc2)o1)c1ccc2c(c1)CCO2 ZINC000158145433 1294197374 /nfs/dbraw/zinc/19/73/74/1294197374.db2.gz JVPCTZYSSKZUJH-UHFFFAOYSA-N 1 2 335.363 3.114 20 30 EGEDLO C=CCn1c(C)nn(C[N@@H+](C)[C@@H]2CC[C@H](SCC)C2)c1=S ZINC000173486670 1294463952 /nfs/dbraw/zinc/46/39/52/1294463952.db2.gz FKMKEXYDJIKYBM-KGLIPLIRSA-N 1 2 326.535 3.472 20 30 EGEDLO C=CCn1c(C)nn(C[N@H+](C)[C@@H]2CC[C@H](SCC)C2)c1=S ZINC000173486670 1294463956 /nfs/dbraw/zinc/46/39/56/1294463956.db2.gz FKMKEXYDJIKYBM-KGLIPLIRSA-N 1 2 326.535 3.472 20 30 EGEDLO N#Cc1ccccc1/C=C/C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178445669 1294735457 /nfs/dbraw/zinc/73/54/57/1294735457.db2.gz CLKJJHOERANNNX-CMDGGOBGSA-N 1 2 349.409 3.055 20 30 EGEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ncc(Br)s1 ZINC000179093643 1294772744 /nfs/dbraw/zinc/77/27/44/1294772744.db2.gz LVFLSYGINMGVRE-SNAWJCMRSA-N 1 2 334.198 3.449 20 30 EGEDLO CN1C(=O)CCc2cc(C(=O)/C=C/c3cccc4[nH+]ccn43)ccc21 ZINC000180319617 1294879599 /nfs/dbraw/zinc/87/95/99/1294879599.db2.gz GSUSALGQBUERMB-VQHVLOKHSA-N 1 2 331.375 3.139 20 30 EGEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1cc2c(s1)SCC(=O)N2 ZINC000184343708 1295191368 /nfs/dbraw/zinc/19/13/68/1295191368.db2.gz ALXQNKQIPBZUTL-SNAWJCMRSA-N 1 2 341.417 3.336 20 30 EGEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc(N2CCOC2=O)cc1 ZINC000255357775 1296523751 /nfs/dbraw/zinc/52/37/51/1296523751.db2.gz HILIGPFDZYHEEY-HJWRWDBZSA-N 1 2 333.347 3.187 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000397618059 1297701684 /nfs/dbraw/zinc/70/16/84/1297701684.db2.gz QYXSJWXKJHBADI-LLVKDONJSA-N 1 2 338.205 3.483 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000397618059 1297701692 /nfs/dbraw/zinc/70/16/92/1297701692.db2.gz QYXSJWXKJHBADI-LLVKDONJSA-N 1 2 338.205 3.483 20 30 EGEDLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)NCC(C)(C)C#N)CC1 ZINC000875478742 1298355964 /nfs/dbraw/zinc/35/59/64/1298355964.db2.gz OUNQKJYNPMVJJK-QGZVFWFLSA-N 1 2 346.450 3.154 20 30 EGEDLO O=C(CCCn1cc[nH+]c1)N1CCCSC1=Nc1ccccc1 ZINC000748606269 1299047864 /nfs/dbraw/zinc/04/78/64/1299047864.db2.gz ZQWQIOSZZQLPPC-UHFFFAOYSA-N 1 2 328.441 3.317 20 30 EGEDLO C=C(Cl)C[NH2+]Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000877150103 1299183983 /nfs/dbraw/zinc/18/39/83/1299183983.db2.gz WXUKLFVIZATABT-UHFFFAOYSA-N 1 2 329.828 3.277 20 30 EGEDLO C[C@H]1C[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)Cc2ccccc21 ZINC000751469405 1299554203 /nfs/dbraw/zinc/55/42/03/1299554203.db2.gz YGPNPTOECGFXQO-GUYCJALGSA-N 1 2 337.448 3.344 20 30 EGEDLO C[C@H]1C[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)Cc2ccccc21 ZINC000751469405 1299554205 /nfs/dbraw/zinc/55/42/05/1299554205.db2.gz YGPNPTOECGFXQO-GUYCJALGSA-N 1 2 337.448 3.344 20 30 EGEDLO CO[C@H](C)c1nc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cs1 ZINC000752267039 1299716101 /nfs/dbraw/zinc/71/61/01/1299716101.db2.gz VIYPSWUTCJWHAK-QWHCGFSZSA-N 1 2 331.441 3.431 20 30 EGEDLO N#Cc1ccc(CO[NH+]=C(N)Cc2ccccc2)c(OC(F)F)c1 ZINC000753116984 1299876882 /nfs/dbraw/zinc/87/68/82/1299876882.db2.gz FMOJEBAVFFSAEY-UHFFFAOYSA-N 1 2 331.322 3.401 20 30 EGEDLO C#C[C@@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)C(C)(C)C ZINC000878663798 1300133583 /nfs/dbraw/zinc/13/35/83/1300133583.db2.gz QLIXGKRVLRSHIG-QGZVFWFLSA-N 1 2 340.427 3.132 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000755594145 1300363712 /nfs/dbraw/zinc/36/37/12/1300363712.db2.gz NZXMWZOFYSGWEZ-ZDUSSCGKSA-N 1 2 341.636 3.139 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000755594145 1300363720 /nfs/dbraw/zinc/36/37/20/1300363720.db2.gz NZXMWZOFYSGWEZ-ZDUSSCGKSA-N 1 2 341.636 3.139 20 30 EGEDLO CC[C@H]1CCC[C@@H]1N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000756775030 1300564182 /nfs/dbraw/zinc/56/41/82/1300564182.db2.gz LWOURFVQLWQICC-KBPBESRZSA-N 1 2 338.455 3.225 20 30 EGEDLO COc1ccc(NC(=S)N[NH+]=C(C)c2ccc(N)cc2C)cc1 ZINC000758091580 1300783547 /nfs/dbraw/zinc/78/35/47/1300783547.db2.gz OQMLHOCPKAMFIO-UHFFFAOYSA-N 1 2 328.441 3.296 20 30 EGEDLO C[C@@H]1CCCC[C@H]1NC(=S)N[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000758368557 1300863745 /nfs/dbraw/zinc/86/37/45/1300863745.db2.gz YAXAFFAGIMFUSV-GDBMZVCRSA-N 1 2 345.516 3.059 20 30 EGEDLO COc1ccc(C#N)cc1C[N@@H+]1CCc2ccc(NC(C)=O)cc2C1 ZINC000880031576 1300882158 /nfs/dbraw/zinc/88/21/58/1300882158.db2.gz QLCYTCWIWIQLOF-UHFFFAOYSA-N 1 2 335.407 3.084 20 30 EGEDLO COc1ccc(C#N)cc1C[N@H+]1CCc2ccc(NC(C)=O)cc2C1 ZINC000880031576 1300882159 /nfs/dbraw/zinc/88/21/59/1300882159.db2.gz QLCYTCWIWIQLOF-UHFFFAOYSA-N 1 2 335.407 3.084 20 30 EGEDLO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2nnc(C(C)(C)C)s2)cc1 ZINC000758485701 1300894509 /nfs/dbraw/zinc/89/45/09/1300894509.db2.gz CGAQTCJCIDYYSA-LBPRGKRZSA-N 1 2 330.457 3.416 20 30 EGEDLO C=CC[C@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccncc1 ZINC000759582927 1301122087 /nfs/dbraw/zinc/12/20/87/1301122087.db2.gz REPQPNIDTGASLI-RYQLBKOJSA-N 1 2 339.443 3.188 20 30 EGEDLO C=CCCC(=O)COC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000761404693 1301456231 /nfs/dbraw/zinc/45/62/31/1301456231.db2.gz SFUBBZKWUJYCKP-QGZVFWFLSA-N 1 2 343.467 3.408 20 30 EGEDLO C#CCOc1ccccc1-c1noc(Cc2cn3cccc(C)c3[nH+]2)n1 ZINC000761990525 1301584886 /nfs/dbraw/zinc/58/48/86/1301584886.db2.gz YVLGMSVTPVBXGL-UHFFFAOYSA-N 1 2 344.374 3.296 20 30 EGEDLO C#CC[N@@H+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000763949423 1301987672 /nfs/dbraw/zinc/98/76/72/1301987672.db2.gz CBAFGHCQUFKLPC-UHFFFAOYSA-N 1 2 330.737 3.395 20 30 EGEDLO C#CC[N@H+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000763949423 1301987678 /nfs/dbraw/zinc/98/76/78/1301987678.db2.gz CBAFGHCQUFKLPC-UHFFFAOYSA-N 1 2 330.737 3.395 20 30 EGEDLO C#CCOc1ccc(COC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000765132099 1302208800 /nfs/dbraw/zinc/20/88/00/1302208800.db2.gz OYLIZGOZUABDNP-UHFFFAOYSA-N 1 2 332.359 3.241 20 30 EGEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 ZINC000769978108 1303201454 /nfs/dbraw/zinc/20/14/54/1303201454.db2.gz RAUYBIIVXBMQNQ-INIZCTEOSA-N 1 2 349.434 3.139 20 30 EGEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 ZINC000769978108 1303201461 /nfs/dbraw/zinc/20/14/61/1303201461.db2.gz RAUYBIIVXBMQNQ-INIZCTEOSA-N 1 2 349.434 3.139 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3c(O)cccc3Cl)CCO2)c1 ZINC000770388528 1303259209 /nfs/dbraw/zinc/25/92/09/1303259209.db2.gz AHQBYIORXJGZBE-SFHVURJKSA-N 1 2 328.799 3.491 20 30 EGEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3c(O)cccc3Cl)CCO2)c1 ZINC000770388528 1303259214 /nfs/dbraw/zinc/25/92/14/1303259214.db2.gz AHQBYIORXJGZBE-SFHVURJKSA-N 1 2 328.799 3.491 20 30 EGEDLO N#Cc1ccc(CSCC(=O)OCc2cccc3[nH+]ccn32)cc1 ZINC000770734125 1303311853 /nfs/dbraw/zinc/31/18/53/1303311853.db2.gz RDFNDCNOJMFAJN-UHFFFAOYSA-N 1 2 337.404 3.183 20 30 EGEDLO C=CC[N@@H+](CCc1ccccc1)CN1C(=O)N[C@@](C)(C(C)(C)C)C1=O ZINC000773298425 1303657929 /nfs/dbraw/zinc/65/79/29/1303657929.db2.gz BCDNPDKYEYRRJR-HXUWFJFHSA-N 1 2 343.471 3.031 20 30 EGEDLO C=CC[N@H+](CCc1ccccc1)CN1C(=O)N[C@@](C)(C(C)(C)C)C1=O ZINC000773298425 1303657936 /nfs/dbraw/zinc/65/79/36/1303657936.db2.gz BCDNPDKYEYRRJR-HXUWFJFHSA-N 1 2 343.471 3.031 20 30 EGEDLO Cc1cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ccc1C#N ZINC000774888163 1303872968 /nfs/dbraw/zinc/87/29/68/1303872968.db2.gz TXQDLWNUBNYJAZ-OAHLLOKOSA-N 1 2 329.444 3.308 20 30 EGEDLO Cc1cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ccc1C#N ZINC000774888163 1303872973 /nfs/dbraw/zinc/87/29/73/1303872973.db2.gz TXQDLWNUBNYJAZ-OAHLLOKOSA-N 1 2 329.444 3.308 20 30 EGEDLO C#CC[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)(C)C ZINC000781551534 1304841320 /nfs/dbraw/zinc/84/13/20/1304841320.db2.gz PXDZVNSTQWHBJG-MRXNPFEDSA-N 1 2 341.367 3.375 20 30 EGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(N2CCNC2=O)cc1 ZINC000782230456 1304936813 /nfs/dbraw/zinc/93/68/13/1304936813.db2.gz JSIDGJBCYIPTBW-UHFFFAOYSA-N 1 2 345.406 3.022 20 30 EGEDLO C#CCOCC[NH2+][C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000784078999 1305187135 /nfs/dbraw/zinc/18/71/35/1305187135.db2.gz GYHBJDPFFFKGBN-GOSISDBHSA-N 1 2 333.391 3.065 20 30 EGEDLO C[NH+](C)[C@@H](CNc1ccc(C#N)cc1CO)c1c(F)cccc1F ZINC000892546792 1305434718 /nfs/dbraw/zinc/43/47/18/1305434718.db2.gz NZUBXPUMNWJTCY-KRWDZBQOSA-N 1 2 331.366 3.044 20 30 EGEDLO C#CC(C)(C)[N@H+](C)Cc1nc(-c2ccc(Br)s2)no1 ZINC000787997307 1305840891 /nfs/dbraw/zinc/84/08/91/1305840891.db2.gz JQFWVIYGPBILAE-UHFFFAOYSA-N 1 2 340.246 3.404 20 30 EGEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(-c2ccc(Br)s2)no1 ZINC000787997307 1305840903 /nfs/dbraw/zinc/84/09/03/1305840903.db2.gz JQFWVIYGPBILAE-UHFFFAOYSA-N 1 2 340.246 3.404 20 30 EGEDLO Cn1cc[nH+]c1NN=Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000790302127 1306295619 /nfs/dbraw/zinc/29/56/19/1306295619.db2.gz NRQRUHGHQXBOOT-UHFFFAOYSA-N 1 2 331.379 3.317 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000790930441 1308889607 /nfs/dbraw/zinc/88/96/07/1308889607.db2.gz MVWZZLLJTLIDPW-HNNXBMFYSA-N 1 2 349.858 3.122 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000790930441 1308889614 /nfs/dbraw/zinc/88/96/14/1308889614.db2.gz MVWZZLLJTLIDPW-HNNXBMFYSA-N 1 2 349.858 3.122 20 30 EGEDLO N#Cc1cccc(OCc2ccoc2C(=O)OCc2cc[nH+]c(N)c2)c1 ZINC000791826261 1309071558 /nfs/dbraw/zinc/07/15/58/1309071558.db2.gz RYGCXPCDASXFNA-UHFFFAOYSA-N 1 2 349.346 3.064 20 30 EGEDLO C#CC[N@@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(CC)cc1 ZINC000792301934 1309158649 /nfs/dbraw/zinc/15/86/49/1309158649.db2.gz LTCMSOXKOKMKEX-IBGZPJMESA-N 1 2 326.465 3.081 20 30 EGEDLO C#CC[N@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(CC)cc1 ZINC000792301934 1309158655 /nfs/dbraw/zinc/15/86/55/1309158655.db2.gz LTCMSOXKOKMKEX-IBGZPJMESA-N 1 2 326.465 3.081 20 30 EGEDLO C[C@H]1Cc2ccccc2C[N@@H+]1Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793504291 1309386837 /nfs/dbraw/zinc/38/68/37/1309386837.db2.gz LXTODIGVDHEUDN-HNNXBMFYSA-N 1 2 333.435 3.003 20 30 EGEDLO C[C@H]1Cc2ccccc2C[N@H+]1Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793504291 1309386847 /nfs/dbraw/zinc/38/68/47/1309386847.db2.gz LXTODIGVDHEUDN-HNNXBMFYSA-N 1 2 333.435 3.003 20 30 EGEDLO COc1ccc(C(N)=[NH+]OC[C@@H](OC(C)C)c2ccccc2)cc1 ZINC000793832868 1309447905 /nfs/dbraw/zinc/44/79/05/1309447905.db2.gz RFENTHNGKBJGFH-GOSISDBHSA-N 1 2 328.412 3.498 20 30 EGEDLO COc1cc(C)c(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)cc1OC ZINC000794707836 1309579587 /nfs/dbraw/zinc/57/95/87/1309579587.db2.gz NSDGRBOYSLGCHR-SREVYHEPSA-N 1 2 346.452 3.426 20 30 EGEDLO CC(=O)Nc1ccc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)cc1 ZINC000794710453 1309580142 /nfs/dbraw/zinc/58/01/42/1309580142.db2.gz HTHDQQBRJCJRME-HJWRWDBZSA-N 1 2 329.425 3.059 20 30 EGEDLO COC(=O)c1csc(C(=O)/C=C\c2c[nH+]c3cccc(C)n23)c1 ZINC000794724088 1309583119 /nfs/dbraw/zinc/58/31/19/1309583119.db2.gz OACQCHGNWKJUAU-SREVYHEPSA-N 1 2 326.377 3.387 20 30 EGEDLO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]Nc1ccc([N+](=O)[O-])cc1 ZINC000794856264 1309609532 /nfs/dbraw/zinc/60/95/32/1309609532.db2.gz IDXXOYIWMYIQES-UHFFFAOYSA-N 1 2 336.355 3.117 20 30 EGEDLO C=CCOc1ccc(CN2CCc3c([nH+]cn3CC)C2)cc1OC ZINC000897336948 1310297807 /nfs/dbraw/zinc/29/78/07/1310297807.db2.gz SJCFRGGIYSXKNC-UHFFFAOYSA-N 1 2 327.428 3.035 20 30 EGEDLO COC(=O)c1c(F)cccc1N[NH+]=Cc1ccc(N(C)C)c(F)c1 ZINC000800818095 1310811605 /nfs/dbraw/zinc/81/16/05/1310811605.db2.gz HSOIXARAJVDYAU-UHFFFAOYSA-N 1 2 333.338 3.263 20 30 EGEDLO C#C[C@@H](CCC)NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000836422121 1320486507 /nfs/dbraw/zinc/48/65/07/1320486507.db2.gz BJEJQXGEHJLOJS-ZDUSSCGKSA-N 1 2 330.819 3.127 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([NH2+][C@H](C)c2nc(C(C)C)no2)C1 ZINC001019232342 1317115805 /nfs/dbraw/zinc/11/58/05/1317115805.db2.gz WGRCVVDHRCJMFF-KGLIPLIRSA-N 1 2 334.464 3.047 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnn(C3CCCC3)c2C)C1 ZINC000957115970 1317197205 /nfs/dbraw/zinc/19/72/05/1317197205.db2.gz RUBOXNQWGQQZLK-UHFFFAOYSA-N 1 2 330.476 3.029 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000804721686 1317277254 /nfs/dbraw/zinc/27/72/54/1317277254.db2.gz JZESLVDACIYMOL-LBPRGKRZSA-N 1 2 335.379 3.270 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000804721686 1317277260 /nfs/dbraw/zinc/27/72/60/1317277260.db2.gz JZESLVDACIYMOL-LBPRGKRZSA-N 1 2 335.379 3.270 20 30 EGEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000957313605 1317277822 /nfs/dbraw/zinc/27/78/22/1317277822.db2.gz NIRLEMUUKPRLSQ-UHFFFAOYSA-N 1 2 325.239 3.163 20 30 EGEDLO O=C(/C=C/c1c[nH+]c2ccc(Cl)cn12)c1cccc(-n2ccnn2)c1 ZINC000806575433 1317505356 /nfs/dbraw/zinc/50/53/56/1317505356.db2.gz CCHRLYNDQFINTI-AATRIKPKSA-N 1 2 349.781 3.465 20 30 EGEDLO NC(=[NH+]OCc1cc2c(cc1Cl)OCCO2)c1ccc(F)cc1 ZINC000808246315 1317650777 /nfs/dbraw/zinc/65/07/77/1317650777.db2.gz AQVKECFQAXCANV-UHFFFAOYSA-N 1 2 336.750 3.087 20 30 EGEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000809542591 1317827993 /nfs/dbraw/zinc/82/79/93/1317827993.db2.gz CNZQJZUBSWKYCI-UHFFFAOYSA-N 1 2 338.838 3.279 20 30 EGEDLO N#CCC1CC[NH+](Cc2nc3ccccn3c2Br)CC1 ZINC000809637180 1317853714 /nfs/dbraw/zinc/85/37/14/1317853714.db2.gz CFJZAMLVODRTJV-UHFFFAOYSA-N 1 2 333.233 3.222 20 30 EGEDLO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(F)C(F)(F)F ZINC000810618788 1318033951 /nfs/dbraw/zinc/03/39/51/1318033951.db2.gz UNYAQOHYKXTQNF-SECBINFHSA-N 1 2 340.283 3.010 20 30 EGEDLO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@@H](F)C(F)(F)F ZINC000810618788 1318033959 /nfs/dbraw/zinc/03/39/59/1318033959.db2.gz UNYAQOHYKXTQNF-SECBINFHSA-N 1 2 340.283 3.010 20 30 EGEDLO N#Cc1sccc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000906376089 1318088233 /nfs/dbraw/zinc/08/82/33/1318088233.db2.gz JKUBCQAATPAPBI-UHFFFAOYSA-N 1 2 332.454 3.314 20 30 EGEDLO CC(C)(C#N)CCCOC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000811326165 1318155270 /nfs/dbraw/zinc/15/52/70/1318155270.db2.gz LPJSAXDMASVALW-UHFFFAOYSA-N 1 2 325.412 3.347 20 30 EGEDLO CCOC(=O)c1ccc(N[NH+]=Cc2cnccc2N(C)C)cc1C ZINC000812229349 1318348470 /nfs/dbraw/zinc/34/84/70/1318348470.db2.gz GTYLHSGVUIQSOW-UHFFFAOYSA-N 1 2 326.400 3.079 20 30 EGEDLO C=C1CCC(C(=O)N2CCCC[C@H]2C[NH2+][C@H](C)c2noc(C)n2)CC1 ZINC000960111438 1318362790 /nfs/dbraw/zinc/36/27/90/1318362790.db2.gz LCAIVQWXSFZEGF-PBHICJAKSA-N 1 2 346.475 3.156 20 30 EGEDLO C=C(C)Cn1c(C2CC2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000909220079 1318448804 /nfs/dbraw/zinc/44/88/04/1318448804.db2.gz MMJZTHZZVYAQHR-UHFFFAOYSA-N 1 2 338.459 3.208 20 30 EGEDLO C/C=C(\C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000960530738 1318647726 /nfs/dbraw/zinc/64/77/26/1318647726.db2.gz HGNAJNRVDIZDDU-DCHWLEDHSA-N 1 2 329.419 3.086 20 30 EGEDLO C/C=C(\C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000960530738 1318647733 /nfs/dbraw/zinc/64/77/33/1318647733.db2.gz HGNAJNRVDIZDDU-DCHWLEDHSA-N 1 2 329.419 3.086 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCN1C(=O)C=C1CCC1 ZINC000960539055 1318665276 /nfs/dbraw/zinc/66/52/76/1318665276.db2.gz FRVDERKQZHFTET-LJQANCHMSA-N 1 2 341.430 3.230 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCN1C(=O)C=C1CCC1 ZINC000960539055 1318665286 /nfs/dbraw/zinc/66/52/86/1318665286.db2.gz FRVDERKQZHFTET-LJQANCHMSA-N 1 2 341.430 3.230 20 30 EGEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)nc1 ZINC000814171142 1318687359 /nfs/dbraw/zinc/68/73/59/1318687359.db2.gz IAHVBGAOTOHORX-AWEZNQCLSA-N 1 2 347.777 3.105 20 30 EGEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)nc1 ZINC000814171142 1318687369 /nfs/dbraw/zinc/68/73/69/1318687369.db2.gz IAHVBGAOTOHORX-AWEZNQCLSA-N 1 2 347.777 3.105 20 30 EGEDLO C[C@@H](c1c(F)cccc1F)[N@H+](C)C[C@H]1CCCN1C(=O)C#CC1CC1 ZINC000960626381 1318752308 /nfs/dbraw/zinc/75/23/08/1318752308.db2.gz YIYRTEKWZWIZAY-GOEBONIOSA-N 1 2 346.421 3.362 20 30 EGEDLO C[C@@H](c1c(F)cccc1F)[N@@H+](C)C[C@H]1CCCN1C(=O)C#CC1CC1 ZINC000960626381 1318752313 /nfs/dbraw/zinc/75/23/13/1318752313.db2.gz YIYRTEKWZWIZAY-GOEBONIOSA-N 1 2 346.421 3.362 20 30 EGEDLO FC(F)(F)[C@@H]1C=C([NH2+]Nc2nnc(-c3ccccn3)s2)CCO1 ZINC000814911145 1318847215 /nfs/dbraw/zinc/84/72/15/1318847215.db2.gz UTBLCPPUDWCPEN-JTQLQIEISA-N 1 2 343.334 3.109 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000960786236 1318886581 /nfs/dbraw/zinc/88/65/81/1318886581.db2.gz CVYUOUNEXFRZQP-SFHVURJKSA-N 1 2 343.446 3.332 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000960786236 1318886591 /nfs/dbraw/zinc/88/65/91/1318886591.db2.gz CVYUOUNEXFRZQP-SFHVURJKSA-N 1 2 343.446 3.332 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2nc(C)c(C)o2)CC1 ZINC000960837308 1318969721 /nfs/dbraw/zinc/96/97/21/1318969721.db2.gz ICYFJONBTIEWIG-GOSISDBHSA-N 1 2 345.487 3.461 20 30 EGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2nc(C)c(C)o2)CC1 ZINC000960837308 1318969729 /nfs/dbraw/zinc/96/97/29/1318969729.db2.gz ICYFJONBTIEWIG-GOSISDBHSA-N 1 2 345.487 3.461 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2csc(CC)n2)C1 ZINC000960850289 1318989748 /nfs/dbraw/zinc/98/97/48/1318989748.db2.gz IKYVVCYGNDEXQW-INIZCTEOSA-N 1 2 347.528 3.485 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2csc(CC)n2)C1 ZINC000960850289 1318989764 /nfs/dbraw/zinc/98/97/64/1318989764.db2.gz IKYVVCYGNDEXQW-INIZCTEOSA-N 1 2 347.528 3.485 20 30 EGEDLO Fc1cccc(C=NOCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000817377252 1319344708 /nfs/dbraw/zinc/34/47/08/1319344708.db2.gz KVYBSFACXQBDSI-UHFFFAOYSA-N 1 2 328.387 3.209 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)C(C)C ZINC000917168117 1319766634 /nfs/dbraw/zinc/76/66/34/1319766634.db2.gz NQMODAOOSAPTOV-UHFFFAOYSA-N 1 2 340.349 3.417 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)C(C)C ZINC000917168117 1319766638 /nfs/dbraw/zinc/76/66/38/1319766638.db2.gz NQMODAOOSAPTOV-UHFFFAOYSA-N 1 2 340.349 3.417 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NCCC(=O)NC1CCCCC1 ZINC000820633630 1319924633 /nfs/dbraw/zinc/92/46/33/1319924633.db2.gz GJOSMBSRZMIGSZ-UHFFFAOYSA-N 1 2 329.444 3.125 20 30 EGEDLO CC[NH+](CC)Cc1csc(NC(=O)c2cc(C#N)ccc2C)n1 ZINC000930476883 1328867877 /nfs/dbraw/zinc/86/78/77/1328867877.db2.gz OCCUGRBHLSSUAR-UHFFFAOYSA-N 1 2 328.441 3.417 20 30 EGEDLO C#CCCOc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000822725917 1320118390 /nfs/dbraw/zinc/11/83/90/1320118390.db2.gz KDMVSHUEAKLAHZ-SFHVURJKSA-N 1 2 339.439 3.130 20 30 EGEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1ncc(Br)cn1 ZINC000848420536 1321958329 /nfs/dbraw/zinc/95/83/29/1321958329.db2.gz FPNUUONRZPLGDK-UHFFFAOYSA-N 1 2 346.232 3.043 20 30 EGEDLO C#CCOCC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000852075695 1323141208 /nfs/dbraw/zinc/14/12/08/1323141208.db2.gz MHALAZRUOOKQLR-CJNGLKHVSA-N 1 2 327.346 3.117 20 30 EGEDLO C#CCOCC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000852075695 1323141213 /nfs/dbraw/zinc/14/12/13/1323141213.db2.gz MHALAZRUOOKQLR-CJNGLKHVSA-N 1 2 327.346 3.117 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1Cc2c(cccc2C)O1 ZINC001024764960 1323663511 /nfs/dbraw/zinc/66/35/11/1323663511.db2.gz YCEFPFPJMYTKFK-MAUKXSAKSA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1Cc2c(cccc2C)O1 ZINC001024764960 1323663518 /nfs/dbraw/zinc/66/35/18/1323663518.db2.gz YCEFPFPJMYTKFK-MAUKXSAKSA-N 1 2 348.874 3.022 20 30 EGEDLO COc1cc(F)cc(N[NH+]=Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000853319296 1325080543 /nfs/dbraw/zinc/08/05/43/1325080543.db2.gz NWUIJMVFWOGCDU-UHFFFAOYSA-N 1 2 343.402 3.241 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NCc1ccnc(OC(F)F)c1 ZINC000853586822 1325129441 /nfs/dbraw/zinc/12/94/41/1325129441.db2.gz XMABRGPZRXTXMQ-UHFFFAOYSA-N 1 2 333.338 3.482 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000853637914 1325138953 /nfs/dbraw/zinc/13/89/53/1325138953.db2.gz VQDNXCZEQVZUNM-GHTZIAJQSA-N 1 2 336.435 3.452 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@H]2C)o1 ZINC000964900989 1327759161 /nfs/dbraw/zinc/75/91/61/1327759161.db2.gz GEJXPQYJNJXALP-KDOFPFPSSA-N 1 2 337.423 3.100 20 30 EGEDLO Cc1ccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3C#N)CC[C@H]2C)o1 ZINC000964900989 1327759170 /nfs/dbraw/zinc/75/91/70/1327759170.db2.gz GEJXPQYJNJXALP-KDOFPFPSSA-N 1 2 337.423 3.100 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ncc(C)s2)C1 ZINC001027559662 1327872503 /nfs/dbraw/zinc/87/25/03/1327872503.db2.gz DGKOGKZLKREVNW-QAPCUYQASA-N 1 2 335.517 3.477 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ncc(C)s2)C1 ZINC001027559662 1327872512 /nfs/dbraw/zinc/87/25/12/1327872512.db2.gz DGKOGKZLKREVNW-QAPCUYQASA-N 1 2 335.517 3.477 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]([N@H+](C)Cc2ncc(C)s2)C1 ZINC001027559661 1327873639 /nfs/dbraw/zinc/87/36/39/1327873639.db2.gz DGKOGKZLKREVNW-MAUKXSAKSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]([N@@H+](C)Cc2ncc(C)s2)C1 ZINC001027559661 1327873649 /nfs/dbraw/zinc/87/36/49/1327873649.db2.gz DGKOGKZLKREVNW-MAUKXSAKSA-N 1 2 335.517 3.477 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ncc(CC)o2)C1 ZINC001027560074 1327874447 /nfs/dbraw/zinc/87/44/47/1327874447.db2.gz PJJIGXYEYLBPEU-BEFAXECRSA-N 1 2 333.476 3.262 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ncc(CC)o2)C1 ZINC001027560074 1327874454 /nfs/dbraw/zinc/87/44/54/1327874454.db2.gz PJJIGXYEYLBPEU-BEFAXECRSA-N 1 2 333.476 3.262 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]([N@H+](C)Cc3coc(C4CC4)n3)C2)C1 ZINC001027565718 1327891325 /nfs/dbraw/zinc/89/13/25/1327891325.db2.gz AXFKJBNZJKVSJN-KRWDZBQOSA-N 1 2 343.471 3.331 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]([N@@H+](C)Cc3coc(C4CC4)n3)C2)C1 ZINC001027565718 1327891331 /nfs/dbraw/zinc/89/13/31/1327891331.db2.gz AXFKJBNZJKVSJN-KRWDZBQOSA-N 1 2 343.471 3.331 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001046974381 1347172525 /nfs/dbraw/zinc/17/25/25/1347172525.db2.gz LLDPSRFKGYTBBE-MGPQQGTHSA-N 1 2 334.838 3.249 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001046974381 1347172526 /nfs/dbraw/zinc/17/25/26/1347172526.db2.gz LLDPSRFKGYTBBE-MGPQQGTHSA-N 1 2 334.838 3.249 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2ccc(OC)cc21 ZINC001027938214 1328415650 /nfs/dbraw/zinc/41/56/50/1328415650.db2.gz VRBICLNQTXROEB-RDJZCZTQSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2ccc(OC)cc21 ZINC001027938214 1328415651 /nfs/dbraw/zinc/41/56/51/1328415651.db2.gz VRBICLNQTXROEB-RDJZCZTQSA-N 1 2 348.874 3.058 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnn(C(C)C)c1Cl ZINC001028048634 1328513978 /nfs/dbraw/zinc/51/39/78/1328513978.db2.gz ICYXBWWTPUYQKW-LBPRGKRZSA-N 1 2 345.274 3.064 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(C(C)C)c1Cl ZINC001028048634 1328513987 /nfs/dbraw/zinc/51/39/87/1328513987.db2.gz ICYXBWWTPUYQKW-LBPRGKRZSA-N 1 2 345.274 3.064 20 30 EGEDLO N#Cc1cccc(Br)c1N1CCN(c2cccc[nH+]2)CC1 ZINC000865401521 1329691999 /nfs/dbraw/zinc/69/19/99/1329691999.db2.gz BRLLWASGVZLMJL-UHFFFAOYSA-N 1 2 343.228 3.042 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C)o2)C[C@H]1C ZINC000947026414 1332979333 /nfs/dbraw/zinc/97/93/33/1332979333.db2.gz LPZOCBAWYVZJHF-DGCLKSJQSA-N 1 2 341.249 3.079 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)o2)C[C@H]1C ZINC000947026414 1332979338 /nfs/dbraw/zinc/97/93/38/1332979338.db2.gz LPZOCBAWYVZJHF-DGCLKSJQSA-N 1 2 341.249 3.079 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(Cl)o1 ZINC000948893562 1333722751 /nfs/dbraw/zinc/72/27/51/1333722751.db2.gz AOGWIDYGJHTSGB-MRXNPFEDSA-N 1 2 342.826 3.286 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(Cl)o1 ZINC000948893562 1333722753 /nfs/dbraw/zinc/72/27/53/1333722753.db2.gz AOGWIDYGJHTSGB-MRXNPFEDSA-N 1 2 342.826 3.286 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1oc(C)cc1C ZINC000948902475 1333726038 /nfs/dbraw/zinc/72/60/38/1333726038.db2.gz QUHMVBKBCRDVRR-LJQANCHMSA-N 1 2 336.435 3.249 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1oc(C)cc1C ZINC000948902475 1333726042 /nfs/dbraw/zinc/72/60/42/1333726042.db2.gz QUHMVBKBCRDVRR-LJQANCHMSA-N 1 2 336.435 3.249 20 30 EGEDLO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cnc(C2CC2)o1 ZINC000948923388 1333735496 /nfs/dbraw/zinc/73/54/96/1333735496.db2.gz HYEWLSQTCZUJBC-KRWDZBQOSA-N 1 2 337.423 3.067 20 30 EGEDLO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cnc(C2CC2)o1 ZINC000948923388 1333735500 /nfs/dbraw/zinc/73/55/00/1333735500.db2.gz HYEWLSQTCZUJBC-KRWDZBQOSA-N 1 2 337.423 3.067 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](Cc2ccc(COC)cc2)CC1 ZINC000950039163 1333998142 /nfs/dbraw/zinc/99/81/42/1333998142.db2.gz QSESXYKNBSWVRA-FQEVSTJZSA-N 1 2 330.472 3.080 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000950051849 1334003448 /nfs/dbraw/zinc/00/34/48/1334003448.db2.gz WWSVWCWPDUOPCD-HIFRSBDPSA-N 1 2 333.303 3.317 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[NH+](CC[C@@H]3CC3(Cl)Cl)CC2)C1 ZINC000950383458 1334056489 /nfs/dbraw/zinc/05/64/89/1334056489.db2.gz YVDLLTFTRAWKMX-CYBMUJFWSA-N 1 2 331.287 3.071 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC000950533453 1334086060 /nfs/dbraw/zinc/08/60/60/1334086060.db2.gz GIKNISBLIFXZLE-HUUCEWRRSA-N 1 2 332.410 3.464 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC000967339572 1335706623 /nfs/dbraw/zinc/70/66/23/1335706623.db2.gz STNCEKYAXXLJQK-DIFFPNOSSA-N 1 2 346.862 3.064 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC000967339572 1335706627 /nfs/dbraw/zinc/70/66/27/1335706627.db2.gz STNCEKYAXXLJQK-DIFFPNOSSA-N 1 2 346.862 3.064 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](Cc3ncc(C)s3)CC[C@@H]2C)C1 ZINC000968276295 1335883057 /nfs/dbraw/zinc/88/30/57/1335883057.db2.gz VWFQQCNOWKSLIY-ZFWWWQNUSA-N 1 2 333.501 3.134 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](Cc3ncc(C)s3)CC[C@@H]2C)C1 ZINC000968276295 1335883058 /nfs/dbraw/zinc/88/30/58/1335883058.db2.gz VWFQQCNOWKSLIY-ZFWWWQNUSA-N 1 2 333.501 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC000968340070 1335894275 /nfs/dbraw/zinc/89/42/75/1335894275.db2.gz LSWGKQBVKIRRDB-SGTLLEGYSA-N 1 2 347.890 3.460 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC000968340070 1335894277 /nfs/dbraw/zinc/89/42/77/1335894277.db2.gz LSWGKQBVKIRRDB-SGTLLEGYSA-N 1 2 347.890 3.460 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2ccccc2Cl)C1 ZINC000968624764 1335988810 /nfs/dbraw/zinc/98/88/10/1335988810.db2.gz ZBHGWAHNGYKQBI-WBMJQRKESA-N 1 2 341.282 3.462 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2ccccc2Cl)C1 ZINC000968624764 1335988812 /nfs/dbraw/zinc/98/88/12/1335988812.db2.gz ZBHGWAHNGYKQBI-WBMJQRKESA-N 1 2 341.282 3.462 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1cnc(C2CC2)o1 ZINC000968893978 1336082903 /nfs/dbraw/zinc/08/29/03/1336082903.db2.gz WNPPWSVMUVGSBI-AWEZNQCLSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1cnc(C2CC2)o1 ZINC000968893978 1336082908 /nfs/dbraw/zinc/08/29/08/1336082908.db2.gz WNPPWSVMUVGSBI-AWEZNQCLSA-N 1 2 337.851 3.279 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+][C@H](C)c2nc(C(C)C)no2)C1 ZINC000969564565 1336224640 /nfs/dbraw/zinc/22/46/40/1336224640.db2.gz WGRCVVDHRCJMFF-ZIAGYGMSSA-N 1 2 334.464 3.047 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2nccc3ccsc32)C1 ZINC000969889390 1336257738 /nfs/dbraw/zinc/25/77/38/1336257738.db2.gz VIOKHBSOJPAIEL-NSHDSACASA-N 1 2 335.860 3.099 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cccc3ccc(C)nc32)C1 ZINC000969932132 1336262840 /nfs/dbraw/zinc/26/28/40/1336262840.db2.gz OZLOUJGEPGBTFR-AWEZNQCLSA-N 1 2 343.858 3.346 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(C)c3ccccc3n2)C1 ZINC000969985945 1336269543 /nfs/dbraw/zinc/26/95/43/1336269543.db2.gz ULZRYANLTXWTRS-CQSZACIVSA-N 1 2 343.858 3.346 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(-c3ccccc3)no2)C1 ZINC000970041198 1336273544 /nfs/dbraw/zinc/27/35/44/1336273544.db2.gz KCZZSORXBZNJSH-CYBMUJFWSA-N 1 2 345.830 3.144 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2scnc2C(C)(C)C)C1 ZINC000970543911 1336319761 /nfs/dbraw/zinc/31/97/61/1336319761.db2.gz DFKFYFOEEJONQI-NSHDSACASA-N 1 2 341.908 3.243 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cccc(-c3cnco3)c2)C1 ZINC000970676335 1336332738 /nfs/dbraw/zinc/33/27/38/1336332738.db2.gz OPKONWDFEJZQED-ZDUSSCGKSA-N 1 2 345.830 3.144 20 30 EGEDLO C=C1CCC(C(=O)N(C)C2CC[NH+](Cc3nccs3)CC2)CC1 ZINC001005930423 1336423954 /nfs/dbraw/zinc/42/39/54/1336423954.db2.gz NZLQNLOONUYINB-UHFFFAOYSA-N 1 2 333.501 3.312 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)c(C)o1 ZINC001006707037 1336560032 /nfs/dbraw/zinc/56/00/32/1336560032.db2.gz ZXLGKFNNFIDZIQ-IBGZPJMESA-N 1 2 336.435 3.142 20 30 EGEDLO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)c(C)o1 ZINC001006707037 1336560035 /nfs/dbraw/zinc/56/00/35/1336560035.db2.gz ZXLGKFNNFIDZIQ-IBGZPJMESA-N 1 2 336.435 3.142 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)C1CC1 ZINC001007030645 1336628884 /nfs/dbraw/zinc/62/88/84/1336628884.db2.gz SCGWDPXJAFSOPK-HNAYVOBHSA-N 1 2 344.886 3.318 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)C1CC1 ZINC001007030645 1336628885 /nfs/dbraw/zinc/62/88/85/1336628885.db2.gz SCGWDPXJAFSOPK-HNAYVOBHSA-N 1 2 344.886 3.318 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cc(C)cc(OC)c2C)C1 ZINC001007783500 1336699038 /nfs/dbraw/zinc/69/90/38/1336699038.db2.gz AVSKBRZFEKPYCA-HNNXBMFYSA-N 1 2 336.863 3.259 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cc(C)cc(OC)c2C)C1 ZINC001007783500 1336699042 /nfs/dbraw/zinc/69/90/42/1336699042.db2.gz AVSKBRZFEKPYCA-HNNXBMFYSA-N 1 2 336.863 3.259 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001008200614 1336790933 /nfs/dbraw/zinc/79/09/33/1336790933.db2.gz GASHLTXRGZTQAB-XLIONFOSSA-N 1 2 337.467 3.385 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001008200614 1336790934 /nfs/dbraw/zinc/79/09/34/1336790934.db2.gz GASHLTXRGZTQAB-XLIONFOSSA-N 1 2 337.467 3.385 20 30 EGEDLO C[C@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(C#N)ccc3F)C2)C=CCC1 ZINC001008228937 1336798402 /nfs/dbraw/zinc/79/84/02/1336798402.db2.gz GPOITHXIDNJDGB-XLIONFOSSA-N 1 2 341.430 3.134 20 30 EGEDLO C[C@]1(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)C=CCC1 ZINC001008228937 1336798403 /nfs/dbraw/zinc/79/84/03/1336798403.db2.gz GPOITHXIDNJDGB-XLIONFOSSA-N 1 2 341.430 3.134 20 30 EGEDLO C[C@]1(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)C=CCC1 ZINC001008232076 1336799944 /nfs/dbraw/zinc/79/99/44/1336799944.db2.gz SHJNSJMLYKTMBL-FPOVZHCZSA-N 1 2 340.442 3.114 20 30 EGEDLO C[C@]1(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)C=CCC1 ZINC001008232076 1336799945 /nfs/dbraw/zinc/79/99/45/1336799945.db2.gz SHJNSJMLYKTMBL-FPOVZHCZSA-N 1 2 340.442 3.114 20 30 EGEDLO CC(C)(C(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1)C1CC1 ZINC001008247182 1336803022 /nfs/dbraw/zinc/80/30/22/1336803022.db2.gz AYAHWTLPYNRDGG-QGZVFWFLSA-N 1 2 343.446 3.214 20 30 EGEDLO CC(C)(C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1)C1CC1 ZINC001008247182 1336803023 /nfs/dbraw/zinc/80/30/23/1336803023.db2.gz AYAHWTLPYNRDGG-QGZVFWFLSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2c(C)[nH]c3ccccc32)C1 ZINC001008387749 1336839566 /nfs/dbraw/zinc/83/95/66/1336839566.db2.gz WGPYJAFPJSQYEC-OAHLLOKOSA-N 1 2 345.874 3.352 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2c(C)[nH]c3ccccc32)C1 ZINC001008387749 1336839571 /nfs/dbraw/zinc/83/95/71/1336839571.db2.gz WGPYJAFPJSQYEC-OAHLLOKOSA-N 1 2 345.874 3.352 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001008462486 1336862184 /nfs/dbraw/zinc/86/21/84/1336862184.db2.gz CTLKNUAKKUXXQE-SVFBPWRDSA-N 1 2 337.467 3.219 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001008462486 1336862186 /nfs/dbraw/zinc/86/21/86/1336862186.db2.gz CTLKNUAKKUXXQE-SVFBPWRDSA-N 1 2 337.467 3.219 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001009199892 1336984877 /nfs/dbraw/zinc/98/48/77/1336984877.db2.gz DLCIYBURKGBSKF-UONOGXRCSA-N 1 2 326.893 3.493 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001009199892 1336984882 /nfs/dbraw/zinc/98/48/82/1336984882.db2.gz DLCIYBURKGBSKF-UONOGXRCSA-N 1 2 326.893 3.493 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cccc3cnccc32)C1 ZINC001009529650 1337033778 /nfs/dbraw/zinc/03/37/78/1337033778.db2.gz OKSUHXPTNOBFLO-HNNXBMFYSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cccc3cnccc32)C1 ZINC001009529650 1337033781 /nfs/dbraw/zinc/03/37/81/1337033781.db2.gz OKSUHXPTNOBFLO-HNNXBMFYSA-N 1 2 329.831 3.182 20 30 EGEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)c1ccccc1 ZINC001009967772 1337126499 /nfs/dbraw/zinc/12/64/99/1337126499.db2.gz VWDZWTNVMHSQBP-IBGZPJMESA-N 1 2 338.838 3.196 20 30 EGEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)c1ccccc1 ZINC001009967772 1337126501 /nfs/dbraw/zinc/12/65/01/1337126501.db2.gz VWDZWTNVMHSQBP-IBGZPJMESA-N 1 2 338.838 3.196 20 30 EGEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)c1cccs1 ZINC001009995143 1337136359 /nfs/dbraw/zinc/13/63/59/1337136359.db2.gz SKCUXCHYCSQHME-MRXNPFEDSA-N 1 2 344.867 3.257 20 30 EGEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)c1cccs1 ZINC001009995143 1337136361 /nfs/dbraw/zinc/13/63/61/1337136361.db2.gz SKCUXCHYCSQHME-MRXNPFEDSA-N 1 2 344.867 3.257 20 30 EGEDLO CC1(C)C(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)C1(C)C ZINC001010470908 1337202750 /nfs/dbraw/zinc/20/27/50/1337202750.db2.gz MEIDMIIDBGEVLG-HNNXBMFYSA-N 1 2 343.446 3.070 20 30 EGEDLO CC1(C)C(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)C1(C)C ZINC001010470908 1337202751 /nfs/dbraw/zinc/20/27/51/1337202751.db2.gz MEIDMIIDBGEVLG-HNNXBMFYSA-N 1 2 343.446 3.070 20 30 EGEDLO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)C(F)=C3CCCC3)C2)ccc1F ZINC001010564797 1337223588 /nfs/dbraw/zinc/22/35/88/1337223588.db2.gz CNAWHDYBRXEUTN-INIZCTEOSA-N 1 2 345.393 3.185 20 30 EGEDLO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C(F)=C3CCCC3)C2)ccc1F ZINC001010564797 1337223591 /nfs/dbraw/zinc/22/35/91/1337223591.db2.gz CNAWHDYBRXEUTN-INIZCTEOSA-N 1 2 345.393 3.185 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2coc3ccc(C)cc23)C1 ZINC001014604713 1337844558 /nfs/dbraw/zinc/84/45/58/1337844558.db2.gz QRRHULXPMIGTKI-OAHLLOKOSA-N 1 2 332.831 3.227 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2coc3ccc(C)cc23)C1 ZINC001014604713 1337844565 /nfs/dbraw/zinc/84/45/65/1337844565.db2.gz QRRHULXPMIGTKI-OAHLLOKOSA-N 1 2 332.831 3.227 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(c3cccc(Cl)c3)CC2)C1 ZINC001014641984 1337856555 /nfs/dbraw/zinc/85/65/55/1337856555.db2.gz BCDPSQLBINYDII-HNNXBMFYSA-N 1 2 339.266 3.315 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(c3cccc(Cl)c3)CC2)C1 ZINC001014641984 1337856557 /nfs/dbraw/zinc/85/65/57/1337856557.db2.gz BCDPSQLBINYDII-HNNXBMFYSA-N 1 2 339.266 3.315 20 30 EGEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001015240351 1338068069 /nfs/dbraw/zinc/06/80/69/1338068069.db2.gz ZBEOFMKEVYVTMF-BRWVUGGUSA-N 1 2 343.446 3.070 20 30 EGEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001015240351 1338068073 /nfs/dbraw/zinc/06/80/73/1338068073.db2.gz ZBEOFMKEVYVTMF-BRWVUGGUSA-N 1 2 343.446 3.070 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001015359812 1338111041 /nfs/dbraw/zinc/11/10/41/1338111041.db2.gz GMKBFFWESPFBCU-LJCCNALRSA-N 1 2 337.467 3.075 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001015359812 1338111043 /nfs/dbraw/zinc/11/10/43/1338111043.db2.gz GMKBFFWESPFBCU-LJCCNALRSA-N 1 2 337.467 3.075 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(Cl)s3)C2)cc1 ZINC001015482376 1338155160 /nfs/dbraw/zinc/15/51/60/1338155160.db2.gz NBFFDTJEXDZEIQ-OAHLLOKOSA-N 1 2 344.867 3.387 20 30 EGEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(Cl)s3)C2)cc1 ZINC001015482376 1338155164 /nfs/dbraw/zinc/15/51/64/1338155164.db2.gz NBFFDTJEXDZEIQ-OAHLLOKOSA-N 1 2 344.867 3.387 20 30 EGEDLO CC(C)c1ccoc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001015602151 1338203675 /nfs/dbraw/zinc/20/36/75/1338203675.db2.gz YORDRLZUKJLOQI-KRWDZBQOSA-N 1 2 337.423 3.279 20 30 EGEDLO CC(C)c1ccoc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001015602151 1338203677 /nfs/dbraw/zinc/20/36/77/1338203677.db2.gz YORDRLZUKJLOQI-KRWDZBQOSA-N 1 2 337.423 3.279 20 30 EGEDLO C=Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)cc1 ZINC001015739704 1338281526 /nfs/dbraw/zinc/28/15/26/1338281526.db2.gz GOKUJAFRBAPABY-IBGZPJMESA-N 1 2 349.409 3.345 20 30 EGEDLO C=Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)cc1 ZINC001015739704 1338281529 /nfs/dbraw/zinc/28/15/29/1338281529.db2.gz GOKUJAFRBAPABY-IBGZPJMESA-N 1 2 349.409 3.345 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)C3(F)CCCCC3)C2)c1 ZINC001015944123 1338370220 /nfs/dbraw/zinc/37/02/20/1338370220.db2.gz FDLJUSMHFZVMIC-MRXNPFEDSA-N 1 2 347.409 3.060 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)C3(F)CCCCC3)C2)c1 ZINC001015944123 1338370221 /nfs/dbraw/zinc/37/02/21/1338370221.db2.gz FDLJUSMHFZVMIC-MRXNPFEDSA-N 1 2 347.409 3.060 20 30 EGEDLO CCCc1occc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001015990672 1338395799 /nfs/dbraw/zinc/39/57/99/1338395799.db2.gz OPMCEASCIFAUKT-KRWDZBQOSA-N 1 2 337.423 3.108 20 30 EGEDLO CCCc1occc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001015990672 1338395802 /nfs/dbraw/zinc/39/58/02/1338395802.db2.gz OPMCEASCIFAUKT-KRWDZBQOSA-N 1 2 337.423 3.108 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001016074718 1338445760 /nfs/dbraw/zinc/44/57/60/1338445760.db2.gz KLQRZBAQKXTTIG-SFHVURJKSA-N 1 2 339.826 3.216 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001016074718 1338445764 /nfs/dbraw/zinc/44/57/64/1338445764.db2.gz KLQRZBAQKXTTIG-SFHVURJKSA-N 1 2 339.826 3.216 20 30 EGEDLO CC1=CC[C@](C)(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC001016308511 1338541840 /nfs/dbraw/zinc/54/18/40/1338541840.db2.gz CZYQENPSYSZMMW-FPOVZHCZSA-N 1 2 337.467 3.385 20 30 EGEDLO CC1=CC[C@](C)(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC001016308511 1338541844 /nfs/dbraw/zinc/54/18/44/1338541844.db2.gz CZYQENPSYSZMMW-FPOVZHCZSA-N 1 2 337.467 3.385 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001016357207 1338563037 /nfs/dbraw/zinc/56/30/37/1338563037.db2.gz PAYUWCHIMPOJQM-OAQYLSRUSA-N 1 2 345.446 3.440 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001016357207 1338563040 /nfs/dbraw/zinc/56/30/40/1338563040.db2.gz PAYUWCHIMPOJQM-OAQYLSRUSA-N 1 2 345.446 3.440 20 30 EGEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2cc[nH]n2)s1 ZINC001017641487 1339380286 /nfs/dbraw/zinc/38/02/86/1339380286.db2.gz RJTOXLYJMYANOV-OKILXGFUSA-N 1 2 342.468 3.003 20 30 EGEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2cc[nH]n2)s1 ZINC001017641487 1339380288 /nfs/dbraw/zinc/38/02/88/1339380288.db2.gz RJTOXLYJMYANOV-OKILXGFUSA-N 1 2 342.468 3.003 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1ccc(Cl)cc1 ZINC001017878224 1339438040 /nfs/dbraw/zinc/43/80/40/1339438040.db2.gz KCSWNXYXAUONQY-HDICACEKSA-N 1 2 344.886 3.316 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1ccc(Cl)cc1 ZINC001017878224 1339438041 /nfs/dbraw/zinc/43/80/41/1339438041.db2.gz KCSWNXYXAUONQY-HDICACEKSA-N 1 2 344.886 3.316 20 30 EGEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC001018076265 1339497365 /nfs/dbraw/zinc/49/73/65/1339497365.db2.gz CVIHMMYJGIEVPV-LNRXMEIDSA-N 1 2 344.458 3.252 20 30 EGEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC001018076265 1339497366 /nfs/dbraw/zinc/49/73/66/1339497366.db2.gz CVIHMMYJGIEVPV-LNRXMEIDSA-N 1 2 344.458 3.252 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccsc1C(F)(F)F ZINC001018216915 1339536672 /nfs/dbraw/zinc/53/66/72/1339536672.db2.gz YOZXLXMUUXILKD-TXEJJXNPSA-N 1 2 342.386 3.079 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccsc1C(F)(F)F ZINC001018216915 1339536674 /nfs/dbraw/zinc/53/66/74/1339536674.db2.gz YOZXLXMUUXILKD-TXEJJXNPSA-N 1 2 342.386 3.079 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1cccc(Cl)c1 ZINC001018343290 1339585076 /nfs/dbraw/zinc/58/50/76/1339585076.db2.gz UOOXWCGVTIRKKH-LZQZEXGQSA-N 1 2 344.886 3.217 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1cccc(Cl)c1 ZINC001018343290 1339585077 /nfs/dbraw/zinc/58/50/77/1339585077.db2.gz UOOXWCGVTIRKKH-LZQZEXGQSA-N 1 2 344.886 3.217 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1sccc1-n1cccc1 ZINC001028059912 1340403965 /nfs/dbraw/zinc/40/39/65/1340403965.db2.gz JLEYRKNJBALHCY-CQSZACIVSA-N 1 2 349.887 3.486 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1sccc1-n1cccc1 ZINC001028059912 1340403968 /nfs/dbraw/zinc/40/39/68/1340403968.db2.gz JLEYRKNJBALHCY-CQSZACIVSA-N 1 2 349.887 3.486 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(N2CC=CC2)c1 ZINC001028169988 1340465315 /nfs/dbraw/zinc/46/53/15/1340465315.db2.gz INKPEEYTRNEDPX-SFHVURJKSA-N 1 2 345.874 3.010 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc(N2CC=CC2)c1 ZINC001028169988 1340465316 /nfs/dbraw/zinc/46/53/16/1340465316.db2.gz INKPEEYTRNEDPX-SFHVURJKSA-N 1 2 345.874 3.010 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(N2CCCC2)c1 ZINC001028223482 1340491634 /nfs/dbraw/zinc/49/16/34/1340491634.db2.gz KHOKOQLMOGXOTE-GOSISDBHSA-N 1 2 347.890 3.234 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(N2CCCC2)c1 ZINC001028223482 1340491635 /nfs/dbraw/zinc/49/16/35/1340491635.db2.gz KHOKOQLMOGXOTE-GOSISDBHSA-N 1 2 347.890 3.234 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2ccn(C)c2c1 ZINC001028242035 1340503086 /nfs/dbraw/zinc/50/30/86/1340503086.db2.gz ZJOGDVBMKIFTBZ-INIZCTEOSA-N 1 2 331.847 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2ccn(C)c2c1 ZINC001028242035 1340503089 /nfs/dbraw/zinc/50/30/89/1340503089.db2.gz ZJOGDVBMKIFTBZ-INIZCTEOSA-N 1 2 331.847 3.125 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2ncsc2c1 ZINC001028300502 1340549330 /nfs/dbraw/zinc/54/93/30/1340549330.db2.gz ZOSQJSYOSGIENI-CYBMUJFWSA-N 1 2 335.860 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2ncsc2c1 ZINC001028300502 1340549331 /nfs/dbraw/zinc/54/93/31/1340549331.db2.gz ZOSQJSYOSGIENI-CYBMUJFWSA-N 1 2 335.860 3.243 20 30 EGEDLO CC1(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C#N)cc2F)CC1 ZINC001029395374 1340983177 /nfs/dbraw/zinc/98/31/77/1340983177.db2.gz QFPCUSKDBHRIFY-CALCHBBNSA-N 1 2 341.430 3.063 20 30 EGEDLO CC1(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)cc2F)CC1 ZINC001029395374 1340983178 /nfs/dbraw/zinc/98/31/78/1340983178.db2.gz QFPCUSKDBHRIFY-CALCHBBNSA-N 1 2 341.430 3.063 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC(C[N@H+](C)[C@H](C)c2noc(C)n2)CC1 ZINC001029990366 1341147973 /nfs/dbraw/zinc/14/79/73/1341147973.db2.gz KFLAFQVZFJYYBT-AUUYWEPGSA-N 1 2 348.491 3.212 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC(C[N@@H+](C)[C@H](C)c2noc(C)n2)CC1 ZINC001029990366 1341147974 /nfs/dbraw/zinc/14/79/74/1341147974.db2.gz KFLAFQVZFJYYBT-AUUYWEPGSA-N 1 2 348.491 3.212 20 30 EGEDLO C=C1CCC(C(=O)NC2C[NH+](CCOc3cccc(CC)c3)C2)CC1 ZINC001030903867 1341246614 /nfs/dbraw/zinc/24/66/14/1341246614.db2.gz YVUIFIUFIQMOMQ-UHFFFAOYSA-N 1 2 342.483 3.175 20 30 EGEDLO C=C1CC(C)(C(=O)NC2C[NH+](C[C@H]3[C@H](c4ccccc4)C3(F)F)C2)C1 ZINC001030924396 1341250970 /nfs/dbraw/zinc/25/09/70/1341250970.db2.gz PUAORNBXCIAJCP-IRXDYDNUSA-N 1 2 346.421 3.192 20 30 EGEDLO C[C@@H]1C[C@H]1c1ccc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)o1 ZINC001031664766 1341384996 /nfs/dbraw/zinc/38/49/96/1341384996.db2.gz PUBIOOBSQXSUTG-VQIMIIECSA-N 1 2 348.446 3.116 20 30 EGEDLO C=C1CCC(C(=O)NCC2C[NH+](Cc3cc(O)ccc3Cl)C2)CC1 ZINC001031952130 1341430006 /nfs/dbraw/zinc/43/00/06/1341430006.db2.gz ZMMUOLKCQPPKQR-UHFFFAOYSA-N 1 2 348.874 3.340 20 30 EGEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cc(Cl)cs1 ZINC001032025521 1341441349 /nfs/dbraw/zinc/44/13/49/1341441349.db2.gz ZCVNYFBXKULRME-UHFFFAOYSA-N 1 2 344.867 3.115 20 30 EGEDLO CC(C)(C)C1CC(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)C1 ZINC001032218931 1341475840 /nfs/dbraw/zinc/47/58/40/1341475840.db2.gz GQFXGWKLOKSSSO-UHFFFAOYSA-N 1 2 339.483 3.179 20 30 EGEDLO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCc2c1cccc2Cl ZINC001032396815 1341506607 /nfs/dbraw/zinc/50/66/07/1341506607.db2.gz GKJQJCNOGQUWMP-DOXZYTNZSA-N 1 2 340.854 3.026 20 30 EGEDLO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCc2c1cccc2Cl ZINC001032396815 1341506608 /nfs/dbraw/zinc/50/66/08/1341506608.db2.gz GKJQJCNOGQUWMP-DOXZYTNZSA-N 1 2 340.854 3.026 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1oc(C(C)C)nc1C ZINC001032558484 1341540008 /nfs/dbraw/zinc/54/00/08/1341540008.db2.gz XQDKTIBCKVOCJS-HOTGVXAUSA-N 1 2 345.487 3.494 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1oc(C(C)C)nc1C ZINC001032558484 1341540011 /nfs/dbraw/zinc/54/00/11/1341540011.db2.gz XQDKTIBCKVOCJS-HOTGVXAUSA-N 1 2 345.487 3.494 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C)nc1C ZINC001032606424 1341556349 /nfs/dbraw/zinc/55/63/49/1341556349.db2.gz UBWISCNLNYVIBA-CMKODMSKSA-N 1 2 327.472 3.086 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C)nc1C ZINC001032606424 1341556350 /nfs/dbraw/zinc/55/63/50/1341556350.db2.gz UBWISCNLNYVIBA-CMKODMSKSA-N 1 2 327.472 3.086 20 30 EGEDLO CN(C(=O)CC1CC1)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001032863080 1341638062 /nfs/dbraw/zinc/63/80/62/1341638062.db2.gz WYQVOVWAABQWMU-KRWDZBQOSA-N 1 2 330.859 3.024 20 30 EGEDLO CN(C(=O)CC1CC1)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001032863080 1341638064 /nfs/dbraw/zinc/63/80/64/1341638064.db2.gz WYQVOVWAABQWMU-KRWDZBQOSA-N 1 2 330.859 3.024 20 30 EGEDLO CN(C(=O)c1ccco1)[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001032872425 1341643762 /nfs/dbraw/zinc/64/37/62/1341643762.db2.gz MUOQYORGLDKZJV-KRWDZBQOSA-N 1 2 342.826 3.131 20 30 EGEDLO CN(C(=O)c1ccco1)[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001032872425 1341643763 /nfs/dbraw/zinc/64/37/63/1341643763.db2.gz MUOQYORGLDKZJV-KRWDZBQOSA-N 1 2 342.826 3.131 20 30 EGEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CC=C(Cl)Cl)C2)cc1 ZINC001033322046 1341780566 /nfs/dbraw/zinc/78/05/66/1341780566.db2.gz JUQYBWRJGYDTGG-OAHLLOKOSA-N 1 2 337.250 3.133 20 30 EGEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CC=C(Cl)Cl)C2)cc1 ZINC001033322046 1341780568 /nfs/dbraw/zinc/78/05/68/1341780568.db2.gz JUQYBWRJGYDTGG-OAHLLOKOSA-N 1 2 337.250 3.133 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc(Cl)c2F)C1 ZINC001033386205 1341806297 /nfs/dbraw/zinc/80/62/97/1341806297.db2.gz TYKBGLZELNVOFZ-NSHDSACASA-N 1 2 331.218 3.378 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(Cl)c2F)C1 ZINC001033386205 1341806298 /nfs/dbraw/zinc/80/62/98/1341806298.db2.gz TYKBGLZELNVOFZ-NSHDSACASA-N 1 2 331.218 3.378 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@H+](Cc3nc(C)sc3C)C2)C1 ZINC001033399294 1341813381 /nfs/dbraw/zinc/81/33/81/1341813381.db2.gz ODXLRIPHTHAKMF-OAHLLOKOSA-N 1 2 333.501 3.149 20 30 EGEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3nc(C)sc3C)C2)C1 ZINC001033399294 1341813383 /nfs/dbraw/zinc/81/33/83/1341813383.db2.gz ODXLRIPHTHAKMF-OAHLLOKOSA-N 1 2 333.501 3.149 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)ccc2OC)C1 ZINC001033638080 1341920690 /nfs/dbraw/zinc/92/06/90/1341920690.db2.gz WQUODTFIEDZRFX-CYBMUJFWSA-N 1 2 343.254 3.247 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)ccc2OC)C1 ZINC001033638080 1341920694 /nfs/dbraw/zinc/92/06/94/1341920694.db2.gz WQUODTFIEDZRFX-CYBMUJFWSA-N 1 2 343.254 3.247 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2c(Cl)cccc2OC)C1 ZINC001033688648 1341952303 /nfs/dbraw/zinc/95/23/03/1341952303.db2.gz SJTVITMVKFJJLK-GFCCVEGCSA-N 1 2 343.254 3.247 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c(Cl)cccc2OC)C1 ZINC001033688648 1341952305 /nfs/dbraw/zinc/95/23/05/1341952305.db2.gz SJTVITMVKFJJLK-GFCCVEGCSA-N 1 2 343.254 3.247 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccn3ccccc23)C1 ZINC001033893798 1342066505 /nfs/dbraw/zinc/06/65/05/1342066505.db2.gz AGZDIJVUSJIBSU-HNNXBMFYSA-N 1 2 331.847 3.228 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccn3ccccc23)C1 ZINC001033893798 1342066506 /nfs/dbraw/zinc/06/65/06/1342066506.db2.gz AGZDIJVUSJIBSU-HNNXBMFYSA-N 1 2 331.847 3.228 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cccc3c2ccn3C)C1 ZINC001033991459 1342134266 /nfs/dbraw/zinc/13/42/66/1342134266.db2.gz INNRYIMVKWTRBG-HNNXBMFYSA-N 1 2 345.874 3.467 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc3c2ccn3C)C1 ZINC001033991459 1342134267 /nfs/dbraw/zinc/13/42/67/1342134267.db2.gz INNRYIMVKWTRBG-HNNXBMFYSA-N 1 2 345.874 3.467 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2coc(C3CCC3)n2)C1 ZINC001034012184 1342148752 /nfs/dbraw/zinc/14/87/52/1342148752.db2.gz MYGBDRTXDXGVBN-AWEZNQCLSA-N 1 2 337.851 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2coc(C3CCC3)n2)C1 ZINC001034012184 1342148757 /nfs/dbraw/zinc/14/87/57/1342148757.db2.gz MYGBDRTXDXGVBN-AWEZNQCLSA-N 1 2 337.851 3.231 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001034099600 1342236986 /nfs/dbraw/zinc/23/69/86/1342236986.db2.gz DCILBBJTJSFJBR-HUUCEWRRSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001034099600 1342236987 /nfs/dbraw/zinc/23/69/87/1342236987.db2.gz DCILBBJTJSFJBR-HUUCEWRRSA-N 1 2 341.293 3.222 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@@H](NC(=O)CC2CCC2)C1 ZINC001034145195 1342270729 /nfs/dbraw/zinc/27/07/29/1342270729.db2.gz OMXNCTFJLPIFQF-LJQANCHMSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H](NC(=O)CC2CCC2)C1 ZINC001034145195 1342270735 /nfs/dbraw/zinc/27/07/35/1342270735.db2.gz OMXNCTFJLPIFQF-LJQANCHMSA-N 1 2 343.446 3.358 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001034228631 1342332839 /nfs/dbraw/zinc/33/28/39/1342332839.db2.gz GSJHAIVDAGJZJW-GJZGRUSLSA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001034228631 1342332843 /nfs/dbraw/zinc/33/28/43/1342332843.db2.gz GSJHAIVDAGJZJW-GJZGRUSLSA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccnn2[C@H](C)CC)C1 ZINC001034228632 1342333011 /nfs/dbraw/zinc/33/30/11/1342333011.db2.gz GSJHAIVDAGJZJW-HUUCEWRRSA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccnn2[C@H](C)CC)C1 ZINC001034228632 1342333012 /nfs/dbraw/zinc/33/30/12/1342333012.db2.gz GSJHAIVDAGJZJW-HUUCEWRRSA-N 1 2 338.883 3.191 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@@H+](Cc3ncc(CC)o3)C2)CC1 ZINC001034378045 1342447366 /nfs/dbraw/zinc/44/73/66/1342447366.db2.gz OKRDBKYGGQPBEP-QGZVFWFLSA-N 1 2 345.487 3.454 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@H+](Cc3ncc(CC)o3)C2)CC1 ZINC001034378045 1342447369 /nfs/dbraw/zinc/44/73/69/1342447369.db2.gz OKRDBKYGGQPBEP-QGZVFWFLSA-N 1 2 345.487 3.454 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@@H+](Cc3nccc(C)n3)C2)CC1 ZINC001034378714 1342448569 /nfs/dbraw/zinc/44/85/69/1342448569.db2.gz WXJZUWRRHJFWAT-SFHVURJKSA-N 1 2 342.487 3.002 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@H+](Cc3nccc(C)n3)C2)CC1 ZINC001034378714 1342448573 /nfs/dbraw/zinc/44/85/73/1342448573.db2.gz WXJZUWRRHJFWAT-SFHVURJKSA-N 1 2 342.487 3.002 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cn(C(C)C)nc2C)C1 ZINC001034483402 1342540369 /nfs/dbraw/zinc/54/03/69/1342540369.db2.gz RHXRFBOWPNEIQD-OAHLLOKOSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cn(C(C)C)nc2C)C1 ZINC001034483402 1342540374 /nfs/dbraw/zinc/54/03/74/1342540374.db2.gz RHXRFBOWPNEIQD-OAHLLOKOSA-N 1 2 338.883 3.109 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2Cc3c(cccc3C)O2)C1 ZINC001034487612 1342546090 /nfs/dbraw/zinc/54/60/90/1342546090.db2.gz PJLLGAVGTQSDEJ-QAPCUYQASA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2Cc3c(cccc3C)O2)C1 ZINC001034487612 1342546093 /nfs/dbraw/zinc/54/60/93/1342546093.db2.gz PJLLGAVGTQSDEJ-QAPCUYQASA-N 1 2 348.874 3.022 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(-c3cccs3)o2)C1 ZINC001035595132 1343095596 /nfs/dbraw/zinc/09/55/96/1343095596.db2.gz CLIWJUOYZQKOOL-CQSZACIVSA-N 1 2 346.452 3.015 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(-c3cccs3)o2)C1 ZINC001035595132 1343095600 /nfs/dbraw/zinc/09/56/00/1343095600.db2.gz CLIWJUOYZQKOOL-CQSZACIVSA-N 1 2 346.452 3.015 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C(C)(C)c1cccnc1)CC2 ZINC001035738793 1343162605 /nfs/dbraw/zinc/16/26/05/1343162605.db2.gz GSHRURXSNBGVHG-UHFFFAOYSA-N 1 2 347.890 3.036 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccn3ccccc13)CC2 ZINC001035747627 1343167039 /nfs/dbraw/zinc/16/70/39/1343167039.db2.gz PSUJSBLBWWVMTC-UHFFFAOYSA-N 1 2 343.858 3.230 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccc3cc[nH]c3c1)CC2 ZINC001035803530 1343205689 /nfs/dbraw/zinc/20/56/89/1343205689.db2.gz FVMCPPAWTODYPD-UHFFFAOYSA-N 1 2 343.858 3.458 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccc(N(C)C)cc1)CC2 ZINC001035842582 1343224882 /nfs/dbraw/zinc/22/48/82/1343224882.db2.gz YBSXLQLEHPUION-UHFFFAOYSA-N 1 2 347.890 3.043 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)COc1ccc(C)cc1)CC2 ZINC001035846175 1343227096 /nfs/dbraw/zinc/22/70/96/1343227096.db2.gz BYEHRUJGVRWBAU-UHFFFAOYSA-N 1 2 348.874 3.051 20 30 EGEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001038540007 1344473846 /nfs/dbraw/zinc/47/38/46/1344473846.db2.gz GUQARXLETTZYSD-PLACYPQZSA-N 1 2 336.479 3.055 20 30 EGEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001038540007 1344473848 /nfs/dbraw/zinc/47/38/48/1344473848.db2.gz GUQARXLETTZYSD-PLACYPQZSA-N 1 2 336.479 3.055 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2coc(C(F)F)c2)cc1 ZINC001038645643 1344519757 /nfs/dbraw/zinc/51/97/57/1344519757.db2.gz MZWWINOXZQTRBQ-HNNXBMFYSA-N 1 2 345.349 3.093 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2coc(C(F)F)c2)cc1 ZINC001038645643 1344519760 /nfs/dbraw/zinc/51/97/60/1344519760.db2.gz MZWWINOXZQTRBQ-HNNXBMFYSA-N 1 2 345.349 3.093 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccc(C(F)F)o2)cc1 ZINC001038979308 1344693933 /nfs/dbraw/zinc/69/39/33/1344693933.db2.gz NGJSKYLGPQNQJA-AWEZNQCLSA-N 1 2 345.349 3.093 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccc(C(F)F)o2)cc1 ZINC001038979308 1344693935 /nfs/dbraw/zinc/69/39/35/1344693935.db2.gz NGJSKYLGPQNQJA-AWEZNQCLSA-N 1 2 345.349 3.093 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)cncc1C ZINC001039404754 1345050267 /nfs/dbraw/zinc/05/02/67/1345050267.db2.gz SBKWBBUFIFHIES-CVEARBPZSA-N 1 2 333.863 3.130 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)cncc1C ZINC001039404754 1345050269 /nfs/dbraw/zinc/05/02/69/1345050269.db2.gz SBKWBBUFIFHIES-CVEARBPZSA-N 1 2 333.863 3.130 20 30 EGEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@H](C)c1cccc(F)c1 ZINC001039528496 1345131192 /nfs/dbraw/zinc/13/11/92/1345131192.db2.gz OALHGDXYKPKAMG-DTDBQYNISA-N 1 2 329.419 3.112 20 30 EGEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@H](C)c1cccc(F)c1 ZINC001039528496 1345131196 /nfs/dbraw/zinc/13/11/96/1345131196.db2.gz OALHGDXYKPKAMG-DTDBQYNISA-N 1 2 329.419 3.112 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ocnc1C ZINC001039822597 1345200005 /nfs/dbraw/zinc/20/00/05/1345200005.db2.gz GCBCMIDTLYRUQM-IYBDPMFKSA-N 1 2 331.460 3.151 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ocnc1C ZINC001039822597 1345200006 /nfs/dbraw/zinc/20/00/06/1345200006.db2.gz GCBCMIDTLYRUQM-IYBDPMFKSA-N 1 2 331.460 3.151 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2CCN(C(=O)C3(C)CCC3)C[C@H]21 ZINC001042182274 1345970200 /nfs/dbraw/zinc/97/02/00/1345970200.db2.gz DKPADWRGJXZCKZ-UONOGXRCSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CCN(C(=O)C3(C)CCC3)C[C@H]21 ZINC001042182274 1345970202 /nfs/dbraw/zinc/97/02/02/1345970202.db2.gz DKPADWRGJXZCKZ-UONOGXRCSA-N 1 2 341.293 3.008 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3coc(C4CC4)n3)[C@@H]2C1 ZINC001042184027 1345971925 /nfs/dbraw/zinc/97/19/25/1345971925.db2.gz SMTWKMMTYICYAS-WMLDXEAASA-N 1 2 343.471 3.187 20 30 EGEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3coc(C4CC4)n3)[C@@H]2C1 ZINC001042184027 1345971928 /nfs/dbraw/zinc/97/19/28/1345971928.db2.gz SMTWKMMTYICYAS-WMLDXEAASA-N 1 2 343.471 3.187 20 30 EGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCO[C@H]2c2ccc(C)cc2)C1 ZINC001044031077 1346236835 /nfs/dbraw/zinc/23/68/35/1346236835.db2.gz UUHAVFIJGBIMHC-UXHICEINSA-N 1 2 342.483 3.181 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C)C1CC1 ZINC001079537896 1357293808 /nfs/dbraw/zinc/29/38/08/1357293808.db2.gz KLTLAYSXKXYJMG-ZRGWGRIASA-N 1 2 344.886 3.174 20 30 EGEDLO C[C@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C)C1CC1 ZINC001079537896 1357293811 /nfs/dbraw/zinc/29/38/11/1357293811.db2.gz KLTLAYSXKXYJMG-ZRGWGRIASA-N 1 2 344.886 3.174 20 30 EGEDLO Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3C#N)C2)s1 ZINC001046107682 1346847551 /nfs/dbraw/zinc/84/75/51/1346847551.db2.gz KRARUJFMBATDBL-LJQANCHMSA-N 1 2 339.464 3.323 20 30 EGEDLO Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3C#N)C2)s1 ZINC001046107682 1346847553 /nfs/dbraw/zinc/84/75/53/1346847553.db2.gz KRARUJFMBATDBL-LJQANCHMSA-N 1 2 339.464 3.323 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc3nc(C)oc3c2)C1 ZINC001046394208 1346960206 /nfs/dbraw/zinc/96/02/06/1346960206.db2.gz KYTDKKYJSPLAQT-QGZVFWFLSA-N 1 2 333.819 3.083 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3nc(C)oc3c2)C1 ZINC001046394208 1346960207 /nfs/dbraw/zinc/96/02/07/1346960207.db2.gz KYTDKKYJSPLAQT-QGZVFWFLSA-N 1 2 333.819 3.083 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(C)c(F)cc2F)C1 ZINC001046416633 1346968493 /nfs/dbraw/zinc/96/84/93/1346968493.db2.gz ZMGRISSJBGRLKY-INIZCTEOSA-N 1 2 328.790 3.220 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(C)c(F)cc2F)C1 ZINC001046416633 1346968496 /nfs/dbraw/zinc/96/84/96/1346968496.db2.gz ZMGRISSJBGRLKY-INIZCTEOSA-N 1 2 328.790 3.220 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(C)cc(OC)c2C)C1 ZINC001046450323 1346977680 /nfs/dbraw/zinc/97/76/80/1346977680.db2.gz RXJVSSFMHOOCNQ-GOSISDBHSA-N 1 2 336.863 3.259 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C)cc(OC)c2C)C1 ZINC001046450323 1346977683 /nfs/dbraw/zinc/97/76/83/1346977683.db2.gz RXJVSSFMHOOCNQ-GOSISDBHSA-N 1 2 336.863 3.259 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnc3c(F)cccc3c2)C1 ZINC001046490854 1346993104 /nfs/dbraw/zinc/99/31/04/1346993104.db2.gz PRPRCSPXQUGBSZ-GOSISDBHSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnc3c(F)cccc3c2)C1 ZINC001046490854 1346993105 /nfs/dbraw/zinc/99/31/05/1346993105.db2.gz PRPRCSPXQUGBSZ-GOSISDBHSA-N 1 2 347.821 3.321 20 30 EGEDLO C=C1CCC(C(=O)N[C@]2(C)CC[N@@H+](Cc3ncc(C)s3)C2)CC1 ZINC001046594253 1347030534 /nfs/dbraw/zinc/03/05/34/1347030534.db2.gz FRQQNMKALLLXCB-GOSISDBHSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C1CCC(C(=O)N[C@]2(C)CC[N@H+](Cc3ncc(C)s3)C2)CC1 ZINC001046594253 1347030535 /nfs/dbraw/zinc/03/05/35/1347030535.db2.gz FRQQNMKALLLXCB-GOSISDBHSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cccc(-c3cnco3)c2)C1 ZINC001046742606 1347079603 /nfs/dbraw/zinc/07/96/03/1347079603.db2.gz RJDLGVQHRLGRPY-SFHVURJKSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cccc(-c3cnco3)c2)C1 ZINC001046742606 1347079604 /nfs/dbraw/zinc/07/96/04/1347079604.db2.gz RJDLGVQHRLGRPY-SFHVURJKSA-N 1 2 345.830 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CCCCC2)C1 ZINC001046902854 1347146899 /nfs/dbraw/zinc/14/68/99/1347146899.db2.gz VWLWAIRLJNPEET-AWEZNQCLSA-N 1 2 334.838 3.393 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CCCCC2)C1 ZINC001046902854 1347146900 /nfs/dbraw/zinc/14/69/00/1347146900.db2.gz VWLWAIRLJNPEET-AWEZNQCLSA-N 1 2 334.838 3.393 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2sccc2C)C1 ZINC001046910572 1347149314 /nfs/dbraw/zinc/14/93/14/1347149314.db2.gz NEXULGNJHPBQDS-GFCCVEGCSA-N 1 2 348.846 3.496 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2sccc2C)C1 ZINC001046910572 1347149315 /nfs/dbraw/zinc/14/93/15/1347149315.db2.gz NEXULGNJHPBQDS-GFCCVEGCSA-N 1 2 348.846 3.496 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001046973263 1347172568 /nfs/dbraw/zinc/17/25/68/1347172568.db2.gz KKFYHNMMNJMNKZ-QLFBSQMISA-N 1 2 348.865 3.495 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001046973263 1347172570 /nfs/dbraw/zinc/17/25/70/1347172570.db2.gz KKFYHNMMNJMNKZ-QLFBSQMISA-N 1 2 348.865 3.495 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC001228578717 1375602672 /nfs/dbraw/zinc/60/26/72/1375602672.db2.gz BTHZHUKZXIBXIS-UHFFFAOYSA-N 1 2 341.908 3.479 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC001079711757 1357354437 /nfs/dbraw/zinc/35/44/37/1357354437.db2.gz PWZYDPJDEBGBJN-PILAGYSTSA-N 1 2 348.874 3.096 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC001079711757 1357354441 /nfs/dbraw/zinc/35/44/41/1357354441.db2.gz PWZYDPJDEBGBJN-PILAGYSTSA-N 1 2 348.874 3.096 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)[C@@H]2CC)C1 ZINC001048976120 1347695821 /nfs/dbraw/zinc/69/58/21/1347695821.db2.gz QILBJGGJHXBRSM-DLBZAZTESA-N 1 2 342.487 3.232 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(F)=C(C)C ZINC001049413848 1347836389 /nfs/dbraw/zinc/83/63/89/1347836389.db2.gz AVGHXMWKFZAPMY-QWHCGFSZSA-N 1 2 345.256 3.224 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(F)=C(C)C ZINC001049413848 1347836391 /nfs/dbraw/zinc/83/63/91/1347836391.db2.gz AVGHXMWKFZAPMY-QWHCGFSZSA-N 1 2 345.256 3.224 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccon1 ZINC001049505177 1347882276 /nfs/dbraw/zinc/88/22/76/1347882276.db2.gz OPXUJZZJHMGVQT-GJZGRUSLSA-N 1 2 337.851 3.019 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ccon1 ZINC001049505177 1347882281 /nfs/dbraw/zinc/88/22/81/1347882281.db2.gz OPXUJZZJHMGVQT-GJZGRUSLSA-N 1 2 337.851 3.019 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc2cnccc2o1 ZINC001049571031 1347915394 /nfs/dbraw/zinc/91/53/94/1347915394.db2.gz BHXCVBBFPDDJOI-GJZGRUSLSA-N 1 2 345.830 3.259 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc2cnccc2o1 ZINC001049571031 1347915397 /nfs/dbraw/zinc/91/53/97/1347915397.db2.gz BHXCVBBFPDDJOI-GJZGRUSLSA-N 1 2 345.830 3.259 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C)CCC1 ZINC001049643823 1347951380 /nfs/dbraw/zinc/95/13/80/1347951380.db2.gz GMKHHLNOZFBRSQ-UONOGXRCSA-N 1 2 341.293 3.151 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ncc(C2CC2)o1 ZINC001049635849 1347946660 /nfs/dbraw/zinc/94/66/60/1347946660.db2.gz MMMVLXPDLKVBFG-HOTGVXAUSA-N 1 2 343.471 3.330 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ncc(C2CC2)o1 ZINC001049635849 1347946663 /nfs/dbraw/zinc/94/66/63/1347946663.db2.gz MMMVLXPDLKVBFG-HOTGVXAUSA-N 1 2 343.471 3.330 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C)CCC1 ZINC001049643823 1347951379 /nfs/dbraw/zinc/95/13/79/1347951379.db2.gz GMKHHLNOZFBRSQ-UONOGXRCSA-N 1 2 341.293 3.151 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1occc1Cl ZINC001049709389 1347985630 /nfs/dbraw/zinc/98/56/30/1347985630.db2.gz ILSGXYRNXQTPPJ-QWHCGFSZSA-N 1 2 329.227 3.364 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1occc1Cl ZINC001049709389 1347985633 /nfs/dbraw/zinc/98/56/33/1347985633.db2.gz ILSGXYRNXQTPPJ-QWHCGFSZSA-N 1 2 329.227 3.364 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3ccccc3nc2C)C1 ZINC001079794780 1357385244 /nfs/dbraw/zinc/38/52/44/1357385244.db2.gz QEULMYZASPURRX-KZULUSFZSA-N 1 2 343.858 3.346 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3ccccc3nc2C)C1 ZINC001079794780 1357385247 /nfs/dbraw/zinc/38/52/47/1357385247.db2.gz QEULMYZASPURRX-KZULUSFZSA-N 1 2 343.858 3.346 20 30 EGEDLO Cc1cc(N[C@H]2CCCCCN(C(=O)[C@H](C)C#N)C2)nc(C(C)C)[nH+]1 ZINC001049857712 1348065323 /nfs/dbraw/zinc/06/53/23/1348065323.db2.gz JVNAJDBQGKVXML-ZBFHGGJFSA-N 1 2 343.475 3.251 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(Cl)c2occc21 ZINC001051204293 1348402442 /nfs/dbraw/zinc/40/24/42/1348402442.db2.gz NATKOOSIKTZVSF-CYBMUJFWSA-N 1 2 348.830 3.093 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(Cl)c2occc21 ZINC001051204293 1348402444 /nfs/dbraw/zinc/40/24/44/1348402444.db2.gz NATKOOSIKTZVSF-CYBMUJFWSA-N 1 2 348.830 3.093 20 30 EGEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(-c2cccs2)o1 ZINC001051226727 1348405953 /nfs/dbraw/zinc/40/59/53/1348405953.db2.gz ZTQKCVWWNTWDRN-AWEZNQCLSA-N 1 2 346.452 3.015 20 30 EGEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(-c2cccs2)o1 ZINC001051226727 1348405955 /nfs/dbraw/zinc/40/59/55/1348405955.db2.gz ZTQKCVWWNTWDRN-AWEZNQCLSA-N 1 2 346.452 3.015 20 30 EGEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C(C)C)s1 ZINC001051263424 1348411885 /nfs/dbraw/zinc/41/18/85/1348411885.db2.gz XNPBITDAWYALQA-HNNXBMFYSA-N 1 2 336.501 3.268 20 30 EGEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C(C)C)s1 ZINC001051263424 1348411886 /nfs/dbraw/zinc/41/18/86/1348411886.db2.gz XNPBITDAWYALQA-HNNXBMFYSA-N 1 2 336.501 3.268 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCC(C)=C(C)C1)O2 ZINC001053605134 1349074992 /nfs/dbraw/zinc/07/49/92/1349074992.db2.gz YPNATICTOSKARB-ZWKOTPCHSA-N 1 2 332.488 3.049 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(C(C)(C)C)s1)O2 ZINC001053700261 1349098198 /nfs/dbraw/zinc/09/81/98/1349098198.db2.gz PMJBAFSEDKCPHK-CQSZACIVSA-N 1 2 348.512 3.195 20 30 EGEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1csc(C)c1C ZINC001054041261 1349136530 /nfs/dbraw/zinc/13/65/30/1349136530.db2.gz HJCNSDQVUKGHAX-GOSISDBHSA-N 1 2 338.476 3.155 20 30 EGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1csc(C)c1C ZINC001054041261 1349136534 /nfs/dbraw/zinc/13/65/34/1349136534.db2.gz HJCNSDQVUKGHAX-GOSISDBHSA-N 1 2 338.476 3.155 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C)CCC(F)(F)CC2)C1 ZINC001079982125 1357448369 /nfs/dbraw/zinc/44/83/69/1357448369.db2.gz OMFNAMYCMHJMQK-DGCLKSJQSA-N 1 2 334.838 3.391 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C)CCC(F)(F)CC2)C1 ZINC001079982125 1357448371 /nfs/dbraw/zinc/44/83/71/1357448371.db2.gz OMFNAMYCMHJMQK-DGCLKSJQSA-N 1 2 334.838 3.391 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@]3(C)c3ccccc3)cc2C1 ZINC001054274993 1349274890 /nfs/dbraw/zinc/27/48/90/1349274890.db2.gz YAFUWPMHMXNWEN-JTHBVZDNSA-N 1 2 344.458 3.229 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@]3(C)c3ccccc3)cc2C1 ZINC001054274993 1349274894 /nfs/dbraw/zinc/27/48/94/1349274894.db2.gz YAFUWPMHMXNWEN-JTHBVZDNSA-N 1 2 344.458 3.229 20 30 EGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc4ccccc4n3C)cc2C1 ZINC001054278897 1349280206 /nfs/dbraw/zinc/28/02/06/1349280206.db2.gz QMXCITYSEVCIPX-UHFFFAOYSA-N 1 2 343.430 3.057 20 30 EGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc4ccccc4n3C)cc2C1 ZINC001054278897 1349280210 /nfs/dbraw/zinc/28/02/10/1349280210.db2.gz QMXCITYSEVCIPX-UHFFFAOYSA-N 1 2 343.430 3.057 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c(C)cc3ccccc32)C1 ZINC001080075680 1357476219 /nfs/dbraw/zinc/47/62/19/1357476219.db2.gz IQOYWEWTRGRUES-CXAGYDPISA-N 1 2 345.874 3.139 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c(C)cc3ccccc32)C1 ZINC001080075680 1357476220 /nfs/dbraw/zinc/47/62/20/1357476220.db2.gz IQOYWEWTRGRUES-CXAGYDPISA-N 1 2 345.874 3.139 20 30 EGEDLO C#C[C@H]1CCC[N@@H+](Cc2c(OC)cc(Br)cc2OC)C1 ZINC001232697097 1376505095 /nfs/dbraw/zinc/50/50/95/1376505095.db2.gz LCTWYBZCPNSZGU-LBPRGKRZSA-N 1 2 338.245 3.312 20 30 EGEDLO C#C[C@H]1CCC[N@H+](Cc2c(OC)cc(Br)cc2OC)C1 ZINC001232697097 1376505098 /nfs/dbraw/zinc/50/50/98/1376505098.db2.gz LCTWYBZCPNSZGU-LBPRGKRZSA-N 1 2 338.245 3.312 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001057014313 1349974528 /nfs/dbraw/zinc/97/45/28/1349974528.db2.gz LLQATHBVHWLGEM-LPHOPBHVSA-N 1 2 330.476 3.041 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001057208299 1349997724 /nfs/dbraw/zinc/99/77/24/1349997724.db2.gz WPKBNCHYCGPNGU-UHFFFAOYSA-N 1 2 342.487 3.303 20 30 EGEDLO C=C1CCC(C(=O)N2CCCN(c3nc(C)[nH+]c(C)c3C)CC2)CC1 ZINC001057225364 1350001445 /nfs/dbraw/zinc/00/14/45/1350001445.db2.gz BSGRVZXGNUFCOX-UHFFFAOYSA-N 1 2 342.487 3.187 20 30 EGEDLO C#Cc1ccc(C(=O)N2CCCC[C@H]2[C@@H](C)Nc2cc[nH+]c(C)n2)cc1 ZINC001058021738 1350191089 /nfs/dbraw/zinc/19/10/89/1350191089.db2.gz OYFPSJIDBRIXLX-BEFAXECRSA-N 1 2 348.450 3.262 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CCCN(c3nc(C)[nH+]c(C)c3C)C2)CC1 ZINC001058228369 1350229427 /nfs/dbraw/zinc/22/94/27/1350229427.db2.gz DGDBHGZSARXMCK-SFHVURJKSA-N 1 2 342.487 3.233 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]c(CC)n1 ZINC001062014054 1351424642 /nfs/dbraw/zinc/42/46/42/1351424642.db2.gz UTSQTDPCGZSUAS-IYBDPMFKSA-N 1 2 342.487 3.129 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ncc(C)s3)C[C@H]2C)CC1 ZINC001080391564 1357601317 /nfs/dbraw/zinc/60/13/17/1357601317.db2.gz PSMCOSOMHAAAIV-CZUORRHYSA-N 1 2 333.501 3.134 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ncc(C)s3)C[C@H]2C)CC1 ZINC001080391564 1357601321 /nfs/dbraw/zinc/60/13/21/1357601321.db2.gz PSMCOSOMHAAAIV-CZUORRHYSA-N 1 2 333.501 3.134 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001080407601 1357610431 /nfs/dbraw/zinc/61/04/31/1357610431.db2.gz IXJSLOSOUKSVSX-TWKYDXJASA-N 1 2 343.446 3.070 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001080407601 1357610434 /nfs/dbraw/zinc/61/04/34/1357610434.db2.gz IXJSLOSOUKSVSX-TWKYDXJASA-N 1 2 343.446 3.070 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@H](CC)C1 ZINC001064413723 1352572083 /nfs/dbraw/zinc/57/20/83/1352572083.db2.gz ZIJHWMLDECNMBT-HZPDHXFCSA-N 1 2 330.476 3.426 20 30 EGEDLO C=C[C@@H](C(=O)N1CCC[C@H]1CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001064917209 1352711891 /nfs/dbraw/zinc/71/18/91/1352711891.db2.gz BBDXDCXNFTXBMM-ZWKOTPCHSA-N 1 2 336.439 3.158 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(c3cccc(F)c3)CC2)C1 ZINC001080547896 1357671610 /nfs/dbraw/zinc/67/16/10/1357671610.db2.gz AZNJBJATPDDLMO-MLGOLLRUSA-N 1 2 336.838 3.046 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(c3cccc(F)c3)CC2)C1 ZINC001080547896 1357671612 /nfs/dbraw/zinc/67/16/12/1357671612.db2.gz AZNJBJATPDDLMO-MLGOLLRUSA-N 1 2 336.838 3.046 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ncc(Cl)cc2Cl)C1 ZINC001080667418 1357718458 /nfs/dbraw/zinc/71/84/58/1357718458.db2.gz CUUSNIIQXIPQFO-PRHODGIISA-N 1 2 348.661 3.191 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ncc(Cl)cc2Cl)C1 ZINC001080667418 1357718471 /nfs/dbraw/zinc/71/84/71/1357718471.db2.gz CUUSNIIQXIPQFO-PRHODGIISA-N 1 2 348.661 3.191 20 30 EGEDLO Cc1cccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccccc2C#N)c1 ZINC001085465379 1358519894 /nfs/dbraw/zinc/51/98/94/1358519894.db2.gz AOAJOROXDXODGM-FQEVSTJZSA-N 1 2 333.435 3.213 20 30 EGEDLO Cc1cccc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccccc2C#N)c1 ZINC001085465379 1358519896 /nfs/dbraw/zinc/51/98/96/1358519896.db2.gz AOAJOROXDXODGM-FQEVSTJZSA-N 1 2 333.435 3.213 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@H]1CCC(F)(F)C1 ZINC001085632736 1358648784 /nfs/dbraw/zinc/64/87/84/1358648784.db2.gz CLOIQGJFVIWUHP-YOEHRIQHSA-N 1 2 347.409 3.026 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@H]1CCC(F)(F)C1 ZINC001085632736 1358648786 /nfs/dbraw/zinc/64/87/86/1358648786.db2.gz CLOIQGJFVIWUHP-YOEHRIQHSA-N 1 2 347.409 3.026 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)C1(C)CCCC1)C[C@@H](C)O2 ZINC001071194599 1354496857 /nfs/dbraw/zinc/49/68/57/1354496857.db2.gz LKYMNOUICLUSSM-QAPCUYQASA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C1(C)CCCC1)C[C@@H](C)O2 ZINC001071194599 1354496867 /nfs/dbraw/zinc/49/68/67/1354496867.db2.gz LKYMNOUICLUSSM-QAPCUYQASA-N 1 2 340.895 3.011 20 30 EGEDLO Cc1cnccc1C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001071494739 1354727651 /nfs/dbraw/zinc/72/76/51/1354727651.db2.gz XFNXUKQDOIPYOV-APWZRJJASA-N 1 2 348.450 3.045 20 30 EGEDLO Cc1cnccc1C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001071494739 1354727655 /nfs/dbraw/zinc/72/76/55/1354727655.db2.gz XFNXUKQDOIPYOV-APWZRJJASA-N 1 2 348.450 3.045 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc(F)ccc2F)CC[C@@H]1C ZINC001071569257 1354769626 /nfs/dbraw/zinc/76/96/26/1354769626.db2.gz XMLXJYMZRIPCMG-WCQYABFASA-N 1 2 328.790 3.300 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc(F)ccc2F)CC[C@@H]1C ZINC001071569257 1354769629 /nfs/dbraw/zinc/76/96/29/1354769629.db2.gz XMLXJYMZRIPCMG-WCQYABFASA-N 1 2 328.790 3.300 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3nocc3C)C2)CC1 ZINC001071796906 1354942370 /nfs/dbraw/zinc/94/23/70/1354942370.db2.gz ZETAUINOTNUACB-WBVHZDCISA-N 1 2 331.460 3.199 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3nocc3C)C2)CC1 ZINC001071796906 1354942372 /nfs/dbraw/zinc/94/23/72/1354942372.db2.gz ZETAUINOTNUACB-WBVHZDCISA-N 1 2 331.460 3.199 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3nocc3C)C2)CC1 ZINC001071796903 1354942649 /nfs/dbraw/zinc/94/26/49/1354942649.db2.gz ZETAUINOTNUACB-DOTOQJQBSA-N 1 2 331.460 3.199 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3nocc3C)C2)CC1 ZINC001071796903 1354942656 /nfs/dbraw/zinc/94/26/56/1354942656.db2.gz ZETAUINOTNUACB-DOTOQJQBSA-N 1 2 331.460 3.199 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3nc(C)c(C)o3)C2)C1 ZINC001071804098 1354947368 /nfs/dbraw/zinc/94/73/68/1354947368.db2.gz XAQDFXANXMMJRX-XJKSGUPXSA-N 1 2 331.460 3.117 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3nc(C)c(C)o3)C2)C1 ZINC001071804098 1354947374 /nfs/dbraw/zinc/94/73/74/1354947374.db2.gz XAQDFXANXMMJRX-XJKSGUPXSA-N 1 2 331.460 3.117 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2c(C)[nH]nc2C(C)C)CC[C@@H]1C ZINC001071976759 1355056109 /nfs/dbraw/zinc/05/61/09/1355056109.db2.gz HZJDUWUQKLXXHM-GXTWGEPZSA-N 1 2 338.883 3.177 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2c(C)[nH]nc2C(C)C)CC[C@@H]1C ZINC001071976759 1355056112 /nfs/dbraw/zinc/05/61/12/1355056112.db2.gz HZJDUWUQKLXXHM-GXTWGEPZSA-N 1 2 338.883 3.177 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc(-c3ccoc3)n[nH]2)CC[C@@H]1C ZINC001072071884 1355112723 /nfs/dbraw/zinc/11/27/23/1355112723.db2.gz BKIWJPBUJXUSCL-JSGCOSHPSA-N 1 2 348.834 3.005 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc(-c3ccoc3)n[nH]2)CC[C@@H]1C ZINC001072071884 1355112725 /nfs/dbraw/zinc/11/27/25/1355112725.db2.gz BKIWJPBUJXUSCL-JSGCOSHPSA-N 1 2 348.834 3.005 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C)c(Cl)c3)C[C@@H]21 ZINC001074331730 1356172456 /nfs/dbraw/zinc/17/24/56/1356172456.db2.gz MAXRHXCSYRWMOT-ROUUACIJSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C)c(Cl)c3)C[C@@H]21 ZINC001074331730 1356172458 /nfs/dbraw/zinc/17/24/58/1356172458.db2.gz MAXRHXCSYRWMOT-ROUUACIJSA-N 1 2 348.874 3.140 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CC[C@H](CC)CC3)C[C@@H]21 ZINC001074387102 1356190095 /nfs/dbraw/zinc/19/00/95/1356190095.db2.gz FETMULVFZAQAMY-CADBVGFASA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CC[C@H](CC)CC3)C[C@@H]21 ZINC001074387102 1356190097 /nfs/dbraw/zinc/19/00/97/1356190097.db2.gz FETMULVFZAQAMY-CADBVGFASA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CC3CCC(C)(C)CC3)C[C@H]21 ZINC001074421490 1356198162 /nfs/dbraw/zinc/19/81/62/1356198162.db2.gz MRTAWZBDNSXVJQ-MOPGFXCFSA-N 1 2 348.531 3.471 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CC3CCC(C)(C)CC3)C[C@H]21 ZINC001074421490 1356198163 /nfs/dbraw/zinc/19/81/63/1356198163.db2.gz MRTAWZBDNSXVJQ-MOPGFXCFSA-N 1 2 348.531 3.471 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)CC3CCCC3)[C@@H]2C1 ZINC001075508014 1356413704 /nfs/dbraw/zinc/41/37/04/1356413704.db2.gz OARRBLGINRUCBM-LSDHHAIUSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)CC3CCCC3)[C@@H]2C1 ZINC001075508014 1356413703 /nfs/dbraw/zinc/41/37/03/1356413703.db2.gz OARRBLGINRUCBM-LSDHHAIUSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C)c(OCC)c3)[C@@H]2C1 ZINC001076318466 1356547939 /nfs/dbraw/zinc/54/79/39/1356547939.db2.gz UOQZCJHHVIAERQ-DLBZAZTESA-N 1 2 348.874 3.293 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C)c(OCC)c3)[C@@H]2C1 ZINC001076318466 1356547940 /nfs/dbraw/zinc/54/79/40/1356547940.db2.gz UOQZCJHHVIAERQ-DLBZAZTESA-N 1 2 348.874 3.293 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ncc(C)o1 ZINC001099029000 1363584382 /nfs/dbraw/zinc/58/43/82/1363584382.db2.gz PGFGOOJEKBKKNE-KRWDZBQOSA-N 1 2 345.487 3.283 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ncc(C)o1 ZINC001099029000 1363584392 /nfs/dbraw/zinc/58/43/92/1363584392.db2.gz PGFGOOJEKBKKNE-KRWDZBQOSA-N 1 2 345.487 3.283 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001078219239 1356924985 /nfs/dbraw/zinc/92/49/85/1356924985.db2.gz UXVZISMQEFUMDP-XOBRGWDASA-N 1 2 345.487 3.234 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3C4CC5CC(C4)CC3C5)[C@@H]2C1 ZINC001084408588 1358208710 /nfs/dbraw/zinc/20/87/10/1358208710.db2.gz QICRNQPMKDGUPQ-OEOKKZFJSA-N 1 2 348.918 3.344 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3C4CC5CC(C4)CC3C5)[C@@H]2C1 ZINC001084408588 1358208714 /nfs/dbraw/zinc/20/87/14/1358208714.db2.gz QICRNQPMKDGUPQ-OEOKKZFJSA-N 1 2 348.918 3.344 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(F)ccc3F)C[C@H]21 ZINC001084578218 1358242079 /nfs/dbraw/zinc/24/20/79/1358242079.db2.gz QBNHLGPQCJHTQD-CXAGYDPISA-N 1 2 334.410 3.210 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(F)ccc3F)C[C@H]21 ZINC001084578218 1358242083 /nfs/dbraw/zinc/24/20/83/1358242083.db2.gz QBNHLGPQCJHTQD-CXAGYDPISA-N 1 2 334.410 3.210 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4[nH]ccc4c3)[C@@H]2C1 ZINC001084620145 1358257479 /nfs/dbraw/zinc/25/74/79/1358257479.db2.gz BHIYVTREVPVKBO-NVXWUHKLSA-N 1 2 329.831 3.067 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4[nH]ccc4c3)[C@@H]2C1 ZINC001084620145 1358257480 /nfs/dbraw/zinc/25/74/80/1358257480.db2.gz BHIYVTREVPVKBO-NVXWUHKLSA-N 1 2 329.831 3.067 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(F)ccc4F)C[C@H]32)C1 ZINC001084645421 1358267941 /nfs/dbraw/zinc/26/79/41/1358267941.db2.gz UKEQBNZUNJWJNW-RDTXWAMCSA-N 1 2 346.421 3.354 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(F)ccc4F)C[C@H]32)C1 ZINC001084645421 1358267944 /nfs/dbraw/zinc/26/79/44/1358267944.db2.gz UKEQBNZUNJWJNW-RDTXWAMCSA-N 1 2 346.421 3.354 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@H+](Cc4c(F)cccc4F)C[C@H]32)C1 ZINC001084645741 1358268607 /nfs/dbraw/zinc/26/86/07/1358268607.db2.gz CCYBLPZBZUELDI-RDTXWAMCSA-N 1 2 346.421 3.354 20 30 EGEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@@H+](Cc4c(F)cccc4F)C[C@H]32)C1 ZINC001084645741 1358268609 /nfs/dbraw/zinc/26/86/09/1358268609.db2.gz CCYBLPZBZUELDI-RDTXWAMCSA-N 1 2 346.421 3.354 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC34CCCC4)[C@@H]2C1 ZINC001084758060 1358302443 /nfs/dbraw/zinc/30/24/43/1358302443.db2.gz BIEJBCJESYRQOW-VAMGGRTRSA-N 1 2 349.478 3.171 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC34CCCC4)[C@@H]2C1 ZINC001084758060 1358302446 /nfs/dbraw/zinc/30/24/46/1358302446.db2.gz BIEJBCJESYRQOW-VAMGGRTRSA-N 1 2 349.478 3.171 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4ncsc4c3)[C@@H]2C1 ZINC001084811303 1358317260 /nfs/dbraw/zinc/31/72/60/1358317260.db2.gz BZZAFTMARMNKQD-UKRRQHHQSA-N 1 2 347.871 3.195 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4ncsc4c3)[C@@H]2C1 ZINC001084811303 1358317265 /nfs/dbraw/zinc/31/72/65/1358317265.db2.gz BZZAFTMARMNKQD-UKRRQHHQSA-N 1 2 347.871 3.195 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccccc3Cl)[C@@H]2C1 ZINC001084813960 1358317992 /nfs/dbraw/zinc/31/79/92/1358317992.db2.gz GVDLNMGPZWWNIQ-GDBMZVCRSA-N 1 2 339.266 3.168 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccccc3Cl)[C@@H]2C1 ZINC001084813960 1358317996 /nfs/dbraw/zinc/31/79/96/1358317996.db2.gz GVDLNMGPZWWNIQ-GDBMZVCRSA-N 1 2 339.266 3.168 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)c1[nH]ccc1C1CC1 ZINC001085636706 1358651294 /nfs/dbraw/zinc/65/12/94/1358651294.db2.gz XRBGTHPMMIICMT-SFHVURJKSA-N 1 2 348.450 3.110 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)c1[nH]ccc1C1CC1 ZINC001085636706 1358651299 /nfs/dbraw/zinc/65/12/99/1358651299.db2.gz XRBGTHPMMIICMT-SFHVURJKSA-N 1 2 348.450 3.110 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@H]1CCCC12CC2 ZINC001085667431 1358671309 /nfs/dbraw/zinc/67/13/09/1358671309.db2.gz HWGJPDSVMJCXHV-RHSMWYFYSA-N 1 2 343.496 3.233 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@H]1CCCC12CC2 ZINC001085667431 1358671311 /nfs/dbraw/zinc/67/13/11/1358671311.db2.gz HWGJPDSVMJCXHV-RHSMWYFYSA-N 1 2 343.496 3.233 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@H]1CCCC12CC2 ZINC001085667928 1358673278 /nfs/dbraw/zinc/67/32/78/1358673278.db2.gz RITYXOBLTGYFGL-RBUKOAKNSA-N 1 2 337.467 3.171 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@H]1CCCC12CC2 ZINC001085667928 1358673280 /nfs/dbraw/zinc/67/32/80/1358673280.db2.gz RITYXOBLTGYFGL-RBUKOAKNSA-N 1 2 337.467 3.171 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@H]1CCC1(C)C ZINC001085775074 1358747008 /nfs/dbraw/zinc/74/70/08/1358747008.db2.gz OSHLGHAYVDQKHK-RBUKOAKNSA-N 1 2 342.458 3.146 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@H]1CCC1(C)C ZINC001085775074 1358747009 /nfs/dbraw/zinc/74/70/09/1358747009.db2.gz OSHLGHAYVDQKHK-RBUKOAKNSA-N 1 2 342.458 3.146 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1CCC1(C)C ZINC001085774993 1358747167 /nfs/dbraw/zinc/74/71/67/1358747167.db2.gz NMZCFCJFOQKSBB-CJNGLKHVSA-N 1 2 331.485 3.089 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1CCC1(C)C ZINC001085774993 1358747170 /nfs/dbraw/zinc/74/71/70/1358747170.db2.gz NMZCFCJFOQKSBB-CJNGLKHVSA-N 1 2 331.485 3.089 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001085806995 1358784398 /nfs/dbraw/zinc/78/43/98/1358784398.db2.gz VZOKADXKDDPEEK-YZGWKJHDSA-N 1 2 342.458 3.146 20 30 EGEDLO CCC[C@@H]1C[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001085806995 1358784400 /nfs/dbraw/zinc/78/44/00/1358784400.db2.gz VZOKADXKDDPEEK-YZGWKJHDSA-N 1 2 342.458 3.146 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001086613610 1359164685 /nfs/dbraw/zinc/16/46/85/1359164685.db2.gz CONLGZMZFOKESE-ZSYWTGECSA-N 1 2 344.886 3.369 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001086613610 1359164687 /nfs/dbraw/zinc/16/46/87/1359164687.db2.gz CONLGZMZFOKESE-ZSYWTGECSA-N 1 2 344.886 3.369 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC2(C)C)[C@H]1CC ZINC001087693597 1359593584 /nfs/dbraw/zinc/59/35/84/1359593584.db2.gz OOZIEHZEVIPFED-MELADBBJSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC2(C)C)[C@H]1CC ZINC001087693597 1359593585 /nfs/dbraw/zinc/59/35/85/1359593585.db2.gz OOZIEHZEVIPFED-MELADBBJSA-N 1 2 343.309 3.300 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(F)c2F)[C@H]1CC ZINC001087705765 1359601412 /nfs/dbraw/zinc/60/14/12/1359601412.db2.gz GVMBYJMHKICWSH-UONOGXRCSA-N 1 2 328.790 3.300 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(F)c2F)[C@H]1CC ZINC001087705765 1359601416 /nfs/dbraw/zinc/60/14/16/1359601416.db2.gz GVMBYJMHKICWSH-UONOGXRCSA-N 1 2 328.790 3.300 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nnc(C(C)C)o3)[C@@H]2CC)C1 ZINC001087714487 1359606753 /nfs/dbraw/zinc/60/67/53/1359606753.db2.gz PCPVMXFJSWJEBI-LSDHHAIUSA-N 1 2 346.475 3.018 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(C(C)C)o3)[C@@H]2CC)C1 ZINC001087714487 1359606756 /nfs/dbraw/zinc/60/67/56/1359606756.db2.gz PCPVMXFJSWJEBI-LSDHHAIUSA-N 1 2 346.475 3.018 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2sccc2COC)[C@H]1CC ZINC001087796063 1359649686 /nfs/dbraw/zinc/64/96/86/1359649686.db2.gz GXQZTRSKBMZLSI-UONOGXRCSA-N 1 2 342.892 3.230 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2sccc2COC)[C@H]1CC ZINC001087796063 1359649687 /nfs/dbraw/zinc/64/96/87/1359649687.db2.gz GXQZTRSKBMZLSI-UONOGXRCSA-N 1 2 342.892 3.230 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C[C@H]2C=CCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088461366 1359923328 /nfs/dbraw/zinc/92/33/28/1359923328.db2.gz DGDHTBZEBNEMQB-VCBZYWHSSA-N 1 2 341.430 3.133 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C[C@H]2C=CCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001088461366 1359923330 /nfs/dbraw/zinc/92/33/30/1359923330.db2.gz DGDHTBZEBNEMQB-VCBZYWHSSA-N 1 2 341.430 3.133 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3cc(F)ccc32)[C@H]1C ZINC001088751320 1360030000 /nfs/dbraw/zinc/03/00/00/1360030000.db2.gz JTCYIDJGMXADEI-DQYPLSBCSA-N 1 2 336.838 3.187 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3cc(F)ccc32)[C@H]1C ZINC001088751320 1360030003 /nfs/dbraw/zinc/03/00/03/1360030003.db2.gz JTCYIDJGMXADEI-DQYPLSBCSA-N 1 2 336.838 3.187 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cccc3cccnc32)[C@H]1C ZINC001088782686 1360043017 /nfs/dbraw/zinc/04/30/17/1360043017.db2.gz FUKIPCLWYWXBKU-PBHICJAKSA-N 1 2 343.858 3.109 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cccc3cccnc32)[C@H]1C ZINC001088782686 1360043021 /nfs/dbraw/zinc/04/30/21/1360043021.db2.gz FUKIPCLWYWXBKU-PBHICJAKSA-N 1 2 343.858 3.109 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3cccc(Cl)n3)[C@@H]2C)C1 ZINC001088839852 1360073750 /nfs/dbraw/zinc/07/37/50/1360073750.db2.gz IEELVNHDPRPSOM-HIFRSBDPSA-N 1 2 333.863 3.170 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(Cl)n3)[C@@H]2C)C1 ZINC001088839852 1360073752 /nfs/dbraw/zinc/07/37/52/1360073752.db2.gz IEELVNHDPRPSOM-HIFRSBDPSA-N 1 2 333.863 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(c3ccccc3F)CC2)[C@H]1C ZINC001088953571 1360112551 /nfs/dbraw/zinc/11/25/51/1360112551.db2.gz BNEKGFFWQYBLJD-CJNGLKHVSA-N 1 2 336.838 3.189 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(c3ccccc3F)CC2)[C@H]1C ZINC001088953571 1360112555 /nfs/dbraw/zinc/11/25/55/1360112555.db2.gz BNEKGFFWQYBLJD-CJNGLKHVSA-N 1 2 336.838 3.189 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccc(C)cc2)[C@H]1C ZINC001089000004 1360132505 /nfs/dbraw/zinc/13/25/05/1360132505.db2.gz FNYUMTWIABBOER-HIFRSBDPSA-N 1 2 337.261 3.096 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)cc2)[C@H]1C ZINC001089000004 1360132508 /nfs/dbraw/zinc/13/25/08/1360132508.db2.gz FNYUMTWIABBOER-HIFRSBDPSA-N 1 2 337.261 3.096 20 30 EGEDLO CC(C)C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC001089122176 1360185610 /nfs/dbraw/zinc/18/56/10/1360185610.db2.gz XUEYOWOKLSCORG-SFHVURJKSA-N 1 2 331.435 3.166 20 30 EGEDLO CC(C)C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001089122176 1360185611 /nfs/dbraw/zinc/18/56/11/1360185611.db2.gz XUEYOWOKLSCORG-SFHVURJKSA-N 1 2 331.435 3.166 20 30 EGEDLO Cc1nc(N[C@H](C)C[C@@H](C)NC(=O)C#CC(C)C)c2c([nH+]1)CCCC2 ZINC001089309655 1360328905 /nfs/dbraw/zinc/32/89/05/1360328905.db2.gz RBXWJNPHGRDHGU-HUUCEWRRSA-N 1 2 342.487 3.018 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(F)nc1 ZINC001089618574 1360538026 /nfs/dbraw/zinc/53/80/26/1360538026.db2.gz GDLJAOCAYKHKIX-AWEZNQCLSA-N 1 2 339.842 3.194 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(F)nc1 ZINC001089618574 1360538029 /nfs/dbraw/zinc/53/80/29/1360538029.db2.gz GDLJAOCAYKHKIX-AWEZNQCLSA-N 1 2 339.842 3.194 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1oc(C)nc1C ZINC001089621392 1360539157 /nfs/dbraw/zinc/53/91/57/1360539157.db2.gz SQOKSMUAWNFPFR-CQSZACIVSA-N 1 2 339.867 3.264 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1oc(C)nc1C ZINC001089621392 1360539158 /nfs/dbraw/zinc/53/91/58/1360539158.db2.gz SQOKSMUAWNFPFR-CQSZACIVSA-N 1 2 339.867 3.264 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ncccc1F ZINC001089717135 1360618209 /nfs/dbraw/zinc/61/82/09/1360618209.db2.gz VHYVSBLZGDIWGG-CYBMUJFWSA-N 1 2 339.842 3.194 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ncccc1F ZINC001089717135 1360618213 /nfs/dbraw/zinc/61/82/13/1360618213.db2.gz VHYVSBLZGDIWGG-CYBMUJFWSA-N 1 2 339.842 3.194 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](C)N(CC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001089733606 1360637402 /nfs/dbraw/zinc/63/74/02/1360637402.db2.gz USZMIUASCCXSIB-QGZVFWFLSA-N 1 2 344.503 3.433 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccccc2)CC2(CCOCC2)C1 ZINC001089918292 1360743740 /nfs/dbraw/zinc/74/37/40/1360743740.db2.gz JGGZOLSTXMCTOL-KRWDZBQOSA-N 1 2 348.874 3.040 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccccc2)CC2(CCOCC2)C1 ZINC001089918292 1360743742 /nfs/dbraw/zinc/74/37/42/1360743742.db2.gz JGGZOLSTXMCTOL-KRWDZBQOSA-N 1 2 348.874 3.040 20 30 EGEDLO C=CCCC1(C(=O)N[C@@H]2C[C@@H](Nc3cc[nH+]c(C)n3)C23CCC3)CC1 ZINC001090622582 1360918046 /nfs/dbraw/zinc/91/80/46/1360918046.db2.gz WGAOWOKHEWFVQG-HZPDHXFCSA-N 1 2 340.471 3.371 20 30 EGEDLO C=C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1)c1ccccc1 ZINC001091351436 1361055555 /nfs/dbraw/zinc/05/55/55/1361055555.db2.gz SHBOWPGHZFRAAR-JQHSSLGASA-N 1 2 336.439 3.062 20 30 EGEDLO C=CCCC(=O)NC[C@H]1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001091556028 1361144088 /nfs/dbraw/zinc/14/40/88/1361144088.db2.gz IVRDDLYNWWVIPZ-GOEBONIOSA-N 1 2 328.460 3.325 20 30 EGEDLO Cc1nc(NCCC[C@@H]2[C@H](C)CCCN2C(=O)C#CC(C)C)cc[nH+]1 ZINC001091703944 1361186140 /nfs/dbraw/zinc/18/61/40/1361186140.db2.gz AQDYQPGTXCSFLW-SJLPKXTDSA-N 1 2 342.487 3.264 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)[C@@H]1CC ZINC001091777653 1361217577 /nfs/dbraw/zinc/21/75/77/1361217577.db2.gz CGVWJHLQIRAKLQ-DLBZAZTESA-N 1 2 342.487 3.185 20 30 EGEDLO C=CCCCC(=O)N1C[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)C[C@H]2C1 ZINC001091868492 1361238822 /nfs/dbraw/zinc/23/88/22/1361238822.db2.gz SPJZRETUDSZKJI-MSOLQXFVSA-N 1 2 342.487 3.043 20 30 EGEDLO C[N@@H+]1CCc2c(C#N)c(NC(=O)Nc3ccc(C#N)cc3)sc2C1 ZINC001184718112 1387519812 /nfs/dbraw/zinc/51/98/12/1387519812.db2.gz ZIJYQQPQMUNVDT-UHFFFAOYSA-N 1 2 337.408 3.123 20 30 EGEDLO C[N@H+]1CCc2c(C#N)c(NC(=O)Nc3ccc(C#N)cc3)sc2C1 ZINC001184718112 1387519814 /nfs/dbraw/zinc/51/98/14/1387519814.db2.gz ZIJYQQPQMUNVDT-UHFFFAOYSA-N 1 2 337.408 3.123 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001093044756 1361515091 /nfs/dbraw/zinc/51/50/91/1361515091.db2.gz KUIPIFJPDBISNB-WWNBULGVSA-N 1 2 342.487 3.176 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@H]21 ZINC001093309654 1361560010 /nfs/dbraw/zinc/56/00/10/1361560010.db2.gz AKOCJZWAHUBOOZ-HWWDLCQESA-N 1 2 342.487 3.062 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NC1CC2(C1)CC(Nc1cc[nH+]c(C)n1)C2 ZINC001093438566 1361623419 /nfs/dbraw/zinc/62/34/19/1361623419.db2.gz SFNJUGDQJXOCRL-OWEJJROISA-N 1 2 328.460 3.083 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CCC[C@H]3CCC)CC2)C1 ZINC001093548638 1361639520 /nfs/dbraw/zinc/63/95/20/1361639520.db2.gz JLLDPUGJMUQDSW-XLIONFOSSA-N 1 2 348.531 3.471 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC(OC2C[NH+](CC=C(C)C)C2)CC1 ZINC001093557975 1361641685 /nfs/dbraw/zinc/64/16/85/1361641685.db2.gz VATZINQQIXJAPR-UHFFFAOYSA-N 1 2 334.504 3.247 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[C@@H]3CC=CCC3)CC2)C1 ZINC001093561752 1361642167 /nfs/dbraw/zinc/64/21/67/1361642167.db2.gz WPONJLRURNXIFF-QGZVFWFLSA-N 1 2 332.488 3.001 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[C@H]3CC[C@@H](C)C3)CC2)C1 ZINC001093562534 1361643489 /nfs/dbraw/zinc/64/34/89/1361643489.db2.gz UUIROKXZEOEPDP-SJORKVTESA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC001093565162 1361644011 /nfs/dbraw/zinc/64/40/11/1361644011.db2.gz JUQNRLNGMZLOIZ-IAGOWNOFSA-N 1 2 334.504 3.081 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cccc(C(C)C)c3)CC2)C1 ZINC001093590825 1361650882 /nfs/dbraw/zinc/65/08/82/1361650882.db2.gz TUCQUTKEIZMOCH-UHFFFAOYSA-N 1 2 342.483 3.301 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095138280 1362029122 /nfs/dbraw/zinc/02/91/22/1362029122.db2.gz CCUUCUKWSFFSAW-MRXNPFEDSA-N 1 2 342.487 3.302 20 30 EGEDLO C=CCCCC(=O)N1CCCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001095202675 1362051878 /nfs/dbraw/zinc/05/18/78/1362051878.db2.gz RMICPJBBNKRMDM-UHFFFAOYSA-N 1 2 330.476 3.303 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095376144 1362119925 /nfs/dbraw/zinc/11/99/25/1362119925.db2.gz OAOWGAHVFXHVAL-ZIAGYGMSSA-N 1 2 344.503 3.193 20 30 EGEDLO C=CC(C)(C)C(=O)NC1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001095439134 1362140783 /nfs/dbraw/zinc/14/07/83/1362140783.db2.gz CFVSSYVXWBTHML-UHFFFAOYSA-N 1 2 330.476 3.206 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NC1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095442996 1362142609 /nfs/dbraw/zinc/14/26/09/1362142609.db2.gz SWQKKBUXMDBKLW-DZGCQCFKSA-N 1 2 342.487 3.206 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3cc(C)cn3c1)C2 ZINC001095509990 1362159666 /nfs/dbraw/zinc/15/96/66/1362159666.db2.gz IZCNZPXTQYCNFV-SQNIBIBYSA-N 1 2 343.858 3.335 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3cc(C)cn3c1)C2 ZINC001095509990 1362159668 /nfs/dbraw/zinc/15/96/68/1362159668.db2.gz IZCNZPXTQYCNFV-SQNIBIBYSA-N 1 2 343.858 3.335 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)[nH]1 ZINC001095626438 1362189573 /nfs/dbraw/zinc/18/95/73/1362189573.db2.gz QIOZPGKIGITFPM-QYZOEREBSA-N 1 2 348.450 3.039 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)[nH]1 ZINC001095626438 1362189576 /nfs/dbraw/zinc/18/95/76/1362189576.db2.gz QIOZPGKIGITFPM-QYZOEREBSA-N 1 2 348.450 3.039 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001095711354 1362208912 /nfs/dbraw/zinc/20/89/12/1362208912.db2.gz YAVSOPNUGIIUIF-INIZCTEOSA-N 1 2 332.492 3.453 20 30 EGEDLO CCN(CCCNC(=O)C#CC(C)(C)C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001095875207 1362263268 /nfs/dbraw/zinc/26/32/68/1362263268.db2.gz ZCUCEMQBMKIVNB-UHFFFAOYSA-N 1 2 344.503 3.291 20 30 EGEDLO CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccc(F)cc2)CCC1 ZINC001095876326 1362264561 /nfs/dbraw/zinc/26/45/61/1362264561.db2.gz JVYBDMKZONSJCB-QYZOEREBSA-N 1 2 340.442 3.089 20 30 EGEDLO CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccc(F)cc2)CCC1 ZINC001095876326 1362264562 /nfs/dbraw/zinc/26/45/62/1362264562.db2.gz JVYBDMKZONSJCB-QYZOEREBSA-N 1 2 340.442 3.089 20 30 EGEDLO C=C1CCC(C(=O)NCCCN(CC)c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095957074 1362306250 /nfs/dbraw/zinc/30/62/50/1362306250.db2.gz NLTRHCXRVVUWAS-UHFFFAOYSA-N 1 2 344.503 3.481 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)C1 ZINC001095983408 1362321980 /nfs/dbraw/zinc/32/19/80/1362321980.db2.gz YRHXHQSIGOKVIR-QYZOEREBSA-N 1 2 335.451 3.136 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)C1 ZINC001095983408 1362321984 /nfs/dbraw/zinc/32/19/84/1362321984.db2.gz YRHXHQSIGOKVIR-QYZOEREBSA-N 1 2 335.451 3.136 20 30 EGEDLO C=C1CC(C)(C(=O)NCCCN(c2nc(C)[nH+]c(C)c2C)C2CC2)C1 ZINC001096075768 1362370720 /nfs/dbraw/zinc/37/07/20/1362370720.db2.gz RTZDRYABTMFOJX-UHFFFAOYSA-N 1 2 342.487 3.233 20 30 EGEDLO C=CCCC(=O)N(C)C1CCN(c2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001096096326 1362380670 /nfs/dbraw/zinc/38/06/70/1362380670.db2.gz GGJVITOMMHNWFV-UHFFFAOYSA-N 1 2 342.487 3.057 20 30 EGEDLO C=CC(C)(C)C(=O)N(C)C1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001096121872 1362393279 /nfs/dbraw/zinc/39/32/79/1362393279.db2.gz UOLQAEPVJBMFNS-UHFFFAOYSA-N 1 2 342.487 3.302 20 30 EGEDLO C=C[C@H](CC)CC(=O)N(C)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001096124053 1362394557 /nfs/dbraw/zinc/39/45/57/1362394557.db2.gz UPFGQMNEMSGRGQ-QGZVFWFLSA-N 1 2 344.503 3.431 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1Cl)C2 ZINC001096398780 1362489087 /nfs/dbraw/zinc/48/90/87/1362489087.db2.gz GMMWMIWYRKPHLJ-UGFHNGPFSA-N 1 2 325.239 3.428 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1Cl)C2 ZINC001096398780 1362489089 /nfs/dbraw/zinc/48/90/89/1362489089.db2.gz GMMWMIWYRKPHLJ-UGFHNGPFSA-N 1 2 325.239 3.428 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CC23CCN(c2cc[nH+]c(C)n2)CC3)CCC1 ZINC001096536541 1362562703 /nfs/dbraw/zinc/56/27/03/1362562703.db2.gz OJPJTTAEMXOPIK-INIZCTEOSA-N 1 2 340.471 3.007 20 30 EGEDLO CCCN(C(=O)C#CC(C)(C)C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001096546442 1362571434 /nfs/dbraw/zinc/57/14/34/1362571434.db2.gz QXODWAUJKHSUBH-UHFFFAOYSA-N 1 2 342.487 3.042 20 30 EGEDLO CC(C)c1cc(N[C@@H](CNC(=O)[C@H](C)C#N)C2CC2)nc(C(C)C)[nH+]1 ZINC001096598397 1362592118 /nfs/dbraw/zinc/59/21/18/1362592118.db2.gz NBEMHUOIWNSNSC-CJNGLKHVSA-N 1 2 343.475 3.190 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097250257 1362901902 /nfs/dbraw/zinc/90/19/02/1362901902.db2.gz HICNWBFSPLYVLE-ZRGWGRIASA-N 1 2 328.460 3.324 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2C[C@@H](Nc3cc(C)[nH+]c(C4CC4)n3)C2)CCC1 ZINC001097251427 1362902433 /nfs/dbraw/zinc/90/24/33/1362902433.db2.gz BREXIGLSHIJQTF-IYBDPMFKSA-N 1 2 340.471 3.468 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCCN1c1nc(C)[nH+]c(C)c1C ZINC001097458651 1363002687 /nfs/dbraw/zinc/00/26/87/1363002687.db2.gz NBTPBTLKKDLZJM-FXAWDEMLSA-N 1 2 344.503 3.479 20 30 EGEDLO Cc1cc(NC[C@H]2CCCCN2C(=O)C#CC(C)C)nc(C(C)C)[nH+]1 ZINC001097483304 1363014768 /nfs/dbraw/zinc/01/47/68/1363014768.db2.gz OPTYAOSWDVPHKF-QGZVFWFLSA-N 1 2 342.487 3.361 20 30 EGEDLO C=CCCCC(=O)N[C@@H](C)[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097541335 1363048559 /nfs/dbraw/zinc/04/85/59/1363048559.db2.gz BCFAQGKEPNCFDT-FUHWJXTLSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ncc(C(C)(C)C)o2)C1 ZINC001185064536 1387607321 /nfs/dbraw/zinc/60/73/21/1387607321.db2.gz RANAFYQJDIQFIV-LSDHHAIUSA-N 1 2 333.476 3.265 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3c1O[C@H](C)C3)C2 ZINC001097560387 1363056703 /nfs/dbraw/zinc/05/67/03/1363056703.db2.gz PAZUILRNEARKLT-WNOSKKOXSA-N 1 2 346.858 3.098 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3c1O[C@H](C)C3)C2 ZINC001097560387 1363056707 /nfs/dbraw/zinc/05/67/07/1363056707.db2.gz PAZUILRNEARKLT-WNOSKKOXSA-N 1 2 346.858 3.098 20 30 EGEDLO C=CCC(CC=C)C(=O)N1C[C@@H]2CC[C@@H](Nc3cc[nH+]c(C)n3)[C@H]2C1 ZINC001097602652 1363068087 /nfs/dbraw/zinc/06/80/87/1363068087.db2.gz WRHVOZIAXSIWIL-OKZBNKHCSA-N 1 2 340.471 3.202 20 30 EGEDLO C=CC(C)(C)CC(=O)N1C[C@@H]2CC[C@H](Nc3cc[nH+]c(C)n3)[C@@H]2C1 ZINC001097603654 1363068450 /nfs/dbraw/zinc/06/84/50/1363068450.db2.gz ICHRPKXWKZLACS-XHSDSOJGSA-N 1 2 328.460 3.036 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(OC)cc1C)C2 ZINC001097763884 1363116093 /nfs/dbraw/zinc/11/60/93/1363116093.db2.gz XETRJSYOENUFAF-XYPHTWIQSA-N 1 2 334.847 3.091 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(OC)cc1C)C2 ZINC001097763884 1363116097 /nfs/dbraw/zinc/11/60/97/1363116097.db2.gz XETRJSYOENUFAF-XYPHTWIQSA-N 1 2 334.847 3.091 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2nc(C)cs2)C1 ZINC001097804767 1363125315 /nfs/dbraw/zinc/12/53/15/1363125315.db2.gz AZOXEGYCXZBJKO-KFWWJZLASA-N 1 2 331.485 3.029 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2nc(C)cs2)C1 ZINC001097804767 1363125319 /nfs/dbraw/zinc/12/53/19/1363125319.db2.gz AZOXEGYCXZBJKO-KFWWJZLASA-N 1 2 331.485 3.029 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)C[C@@H](C)O3)C2 ZINC001098043746 1363205884 /nfs/dbraw/zinc/20/58/84/1363205884.db2.gz SZAITWCJZMMLAC-YYQUZTFQSA-N 1 2 346.858 3.098 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)C[C@@H](C)O3)C2 ZINC001098043746 1363205887 /nfs/dbraw/zinc/20/58/87/1363205887.db2.gz SZAITWCJZMMLAC-YYQUZTFQSA-N 1 2 346.858 3.098 20 30 EGEDLO C#CC[N@@H+](Cc1csc(CC(=O)Nc2ccccc2)n1)CC1CC1 ZINC001324383277 1387614990 /nfs/dbraw/zinc/61/49/90/1387614990.db2.gz ZDVOLJOAGPJCDJ-UHFFFAOYSA-N 1 2 339.464 3.170 20 30 EGEDLO C#CC[N@H+](Cc1csc(CC(=O)Nc2ccccc2)n1)CC1CC1 ZINC001324383277 1387614996 /nfs/dbraw/zinc/61/49/96/1387614996.db2.gz ZDVOLJOAGPJCDJ-UHFFFAOYSA-N 1 2 339.464 3.170 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)c1ccccc1F)C2 ZINC001098060230 1363211698 /nfs/dbraw/zinc/21/16/98/1363211698.db2.gz CYOXFPQCOYHMIF-IXKJSCDLSA-N 1 2 336.838 3.403 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)c1ccccc1F)C2 ZINC001098060230 1363211699 /nfs/dbraw/zinc/21/16/99/1363211699.db2.gz CYOXFPQCOYHMIF-IXKJSCDLSA-N 1 2 336.838 3.403 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC13CCCC3)C2 ZINC001098155428 1363237829 /nfs/dbraw/zinc/23/78/29/1363237829.db2.gz LWYQIAFYHVHSDE-WCIQWLHISA-N 1 2 349.478 3.360 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC13CCCC3)C2 ZINC001098155428 1363237831 /nfs/dbraw/zinc/23/78/31/1363237831.db2.gz LWYQIAFYHVHSDE-WCIQWLHISA-N 1 2 349.478 3.360 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001098554410 1363373163 /nfs/dbraw/zinc/37/31/63/1363373163.db2.gz IQTMMCUKUARDAW-OAHLLOKOSA-N 1 2 328.460 3.279 20 30 EGEDLO Cc1cc(N[C@@H]2CCC[C@H](NC(=O)C#CC3CC3)C2)nc(C(C)C)[nH+]1 ZINC001098621759 1363403270 /nfs/dbraw/zinc/40/32/70/1363403270.db2.gz VQKKFSAVKRJTIA-SJORKVTESA-N 1 2 340.471 3.161 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001098720313 1363449365 /nfs/dbraw/zinc/44/93/65/1363449365.db2.gz YUDUYNSROHPHFB-KBXCAEBGSA-N 1 2 344.503 3.431 20 30 EGEDLO C=C(Br)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)/C(C)=C\C ZINC001099000521 1363563690 /nfs/dbraw/zinc/56/36/90/1363563690.db2.gz KXVULWCKGTXKOB-ZDWRTJATSA-N 1 2 343.309 3.468 20 30 EGEDLO C=C(Br)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)/C(C)=C\C ZINC001099000521 1363563691 /nfs/dbraw/zinc/56/36/91/1363563691.db2.gz KXVULWCKGTXKOB-ZDWRTJATSA-N 1 2 343.309 3.468 20 30 EGEDLO Cc1cnc(C[N@H+]2CC(C)(C)CC[C@@H]2CNC(=O)C#CC(C)C)s1 ZINC001099064469 1363603414 /nfs/dbraw/zinc/60/34/14/1363603414.db2.gz DNMHNGLDEWSBGP-MRXNPFEDSA-N 1 2 347.528 3.218 20 30 EGEDLO Cc1cnc(C[N@@H+]2CC(C)(C)CC[C@@H]2CNC(=O)C#CC(C)C)s1 ZINC001099064469 1363603416 /nfs/dbraw/zinc/60/34/16/1363603416.db2.gz DNMHNGLDEWSBGP-MRXNPFEDSA-N 1 2 347.528 3.218 20 30 EGEDLO C=CC(C)(C)C(=O)NCCC[C@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001099872922 1363972593 /nfs/dbraw/zinc/97/25/93/1363972593.db2.gz CNNAVWHWVJMAPN-KRWDZBQOSA-N 1 2 344.503 3.479 20 30 EGEDLO C=CCCC(=O)NCC1CC([NH2+]Cc2noc(C3CCCCC3)n2)C1 ZINC001100176875 1364036202 /nfs/dbraw/zinc/03/62/02/1364036202.db2.gz KHUYDYNVHIHEQG-UHFFFAOYSA-N 1 2 346.475 3.068 20 30 EGEDLO C=CC[C@H](C(=O)NCCN(CC)c1cc[nH+]c(C)n1)c1ccccc1 ZINC001100540305 1364152676 /nfs/dbraw/zinc/15/26/76/1364152676.db2.gz JBSKSOUKTRKEQW-SFHVURJKSA-N 1 2 338.455 3.087 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NCCN(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001100683040 1364216909 /nfs/dbraw/zinc/21/69/09/1364216909.db2.gz MDZJICYUGJBPLZ-AWEZNQCLSA-N 1 2 330.476 3.207 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001101017408 1364376132 /nfs/dbraw/zinc/37/61/32/1364376132.db2.gz FIQGCNLNBPREHD-MRXNPFEDSA-N 1 2 344.503 3.453 20 30 EGEDLO C=C(C)CCC(=O)NC[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001101019533 1364377548 /nfs/dbraw/zinc/37/75/48/1364377548.db2.gz QZAYUXKMYJJMQI-INIZCTEOSA-N 1 2 330.476 3.207 20 30 EGEDLO C=CCC1(C(=O)NCCN(CCC)c2cc[nH+]c(C)n2)CCCC1 ZINC001101156268 1364436698 /nfs/dbraw/zinc/43/66/98/1364436698.db2.gz HBGCAGUCXWFYJF-UHFFFAOYSA-N 1 2 330.476 3.254 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H](C)CCCCC)c1nccn12 ZINC001101646760 1364669316 /nfs/dbraw/zinc/66/93/16/1364669316.db2.gz WKMZTRMSHBVHHM-IRXDYDNUSA-N 1 2 344.503 3.248 20 30 EGEDLO C=CCCC(=O)NCCCN(c1nc(C)[nH+]c2c1CCCC2)C(C)C ZINC001102091698 1364850300 /nfs/dbraw/zinc/85/03/00/1364850300.db2.gz SDYMTLIDHVXALT-UHFFFAOYSA-N 1 2 344.503 3.351 20 30 EGEDLO CC#CCCCC(=O)NCCCN(c1nc(C)[nH+]c(C)c1C)C(C)C ZINC001102130085 1364877706 /nfs/dbraw/zinc/87/77/06/1364877706.db2.gz JUYLEGODTORUPE-UHFFFAOYSA-N 1 2 344.503 3.317 20 30 EGEDLO C=CC(C)(C)C(=O)NCC[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001102368776 1365026413 /nfs/dbraw/zinc/02/64/13/1365026413.db2.gz GBHHYVAURLTCOW-MRXNPFEDSA-N 1 2 344.503 3.453 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CCCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102862988 1365258571 /nfs/dbraw/zinc/25/85/71/1365258571.db2.gz LAWJYLWMCSTIBW-GOSISDBHSA-N 1 2 342.487 3.071 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CCCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102882808 1365271673 /nfs/dbraw/zinc/27/16/73/1365271673.db2.gz VJRGYGUZDAYKFE-ROUUACIJSA-N 1 2 344.503 3.479 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC2(CCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001103829884 1365803202 /nfs/dbraw/zinc/80/32/02/1365803202.db2.gz FESMPOSCSJKQCP-KRWDZBQOSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104233779 1365962603 /nfs/dbraw/zinc/96/26/03/1365962603.db2.gz HGRWKKYAUOIVBI-AWEZNQCLSA-N 1 2 344.503 3.430 20 30 EGEDLO C=CC[C@H](C(=O)N(C)[C@@H](C)CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001104589243 1366089939 /nfs/dbraw/zinc/08/99/39/1366089939.db2.gz YXZOLNLYAYAZPF-YJBOKZPZSA-N 1 2 338.455 3.404 20 30 EGEDLO C=CC[C@@H](C(=O)N(C)[C@H](C)CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001104589239 1366090073 /nfs/dbraw/zinc/09/00/73/1366090073.db2.gz YXZOLNLYAYAZPF-CRAIPNDOSA-N 1 2 338.455 3.404 20 30 EGEDLO C=CCOCC(=O)N[C@H](CNc1cc(C)[nH+]c(C(C)C)n1)CC(C)C ZINC001104916319 1366221826 /nfs/dbraw/zinc/22/18/26/1366221826.db2.gz GYXKVPWXVBZCCO-INIZCTEOSA-N 1 2 348.491 3.054 20 30 EGEDLO C#CCCCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@@H](C)C1 ZINC001105036349 1366287159 /nfs/dbraw/zinc/28/71/59/1366287159.db2.gz ZJQCYNQPDVOSEF-WMLDXEAASA-N 1 2 340.471 3.115 20 30 EGEDLO CC#CCCCC(=O)N1CCC[C@H]([C@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001105081954 1366314926 /nfs/dbraw/zinc/31/49/26/1366314926.db2.gz UFZZKGMDKGTWKB-RDJZCZTQSA-N 1 2 328.460 3.018 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC(CCN(C)c2cc[nH+]c(C)n2)CC1 ZINC001105100961 1366328422 /nfs/dbraw/zinc/32/84/22/1366328422.db2.gz RBWDASRIIAWACE-HZPDHXFCSA-N 1 2 344.503 3.308 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(C)(CNC(=O)c2n[nH]c3ccccc32)CC1 ZINC001324896816 1387808798 /nfs/dbraw/zinc/80/87/98/1387808798.db2.gz ALQGMIVWSCNWOR-UHFFFAOYSA-N 1 2 346.862 3.147 20 30 EGEDLO C=C[C@H](CC(=O)N(C)CCN(C)c1cc[nH+]c(C)n1)c1ccccc1 ZINC001105409113 1366451853 /nfs/dbraw/zinc/45/18/53/1366451853.db2.gz UQSCSBHDYNODPP-QGZVFWFLSA-N 1 2 338.455 3.040 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N(C)CCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001105537613 1366517172 /nfs/dbraw/zinc/51/71/72/1366517172.db2.gz QZFMOPIEIJFVRU-INIZCTEOSA-N 1 2 344.503 3.161 20 30 EGEDLO C=CCCC1(C(=O)N[C@H]2CCC[C@H]2CNc2cc[nH+]c(C)n2)CC1 ZINC001105691040 1366575650 /nfs/dbraw/zinc/57/56/50/1366575650.db2.gz CBFDSORXXVMFIN-HOTGVXAUSA-N 1 2 328.460 3.228 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CCCCC(C)(C)C)CC2)C1 ZINC001105709811 1366581854 /nfs/dbraw/zinc/58/18/54/1366581854.db2.gz WBXRLOQUAZHAKK-UHFFFAOYSA-N 1 2 336.520 3.471 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC(OC2C[NH+](CC=C(C)C)C2)CC1 ZINC001105719664 1366583562 /nfs/dbraw/zinc/58/35/62/1366583562.db2.gz NXELGKMHLFAHLB-SJORKVTESA-N 1 2 334.504 3.103 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H](C)[C@@H](C)C(C)(C)C)CC2)C1 ZINC001105727961 1366586923 /nfs/dbraw/zinc/58/69/23/1366586923.db2.gz IZWPRYADJYDAAM-JKSUJKDBSA-N 1 2 336.520 3.183 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N(CC)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001106924109 1366834851 /nfs/dbraw/zinc/83/48/51/1366834851.db2.gz QKPLXTJSQLUKTN-HUUCEWRRSA-N 1 2 344.503 3.382 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)c(C)s1 ZINC001109166239 1366983965 /nfs/dbraw/zinc/98/39/65/1366983965.db2.gz IXQOGCUBZUEAKJ-IKGGRYGDSA-N 1 2 345.512 3.175 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)c(C)s1 ZINC001109166239 1366983970 /nfs/dbraw/zinc/98/39/70/1366983970.db2.gz IXQOGCUBZUEAKJ-IKGGRYGDSA-N 1 2 345.512 3.175 20 30 EGEDLO C=CC1(CC(=O)N2CC[C@H]3C[N@H+](Cc4ccon4)C[C@H]32)CCCCC1 ZINC001189405876 1367012819 /nfs/dbraw/zinc/01/28/19/1367012819.db2.gz APCBJPLWNRSLOC-FUHWJXTLSA-N 1 2 343.471 3.234 20 30 EGEDLO C=CC1(CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccon4)C[C@H]32)CCCCC1 ZINC001189405876 1367012825 /nfs/dbraw/zinc/01/28/25/1367012825.db2.gz APCBJPLWNRSLOC-FUHWJXTLSA-N 1 2 343.471 3.234 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@H]2C[N@H+](Cc3nnc(C)o3)C[C@H]21 ZINC001189936930 1367134689 /nfs/dbraw/zinc/13/46/89/1367134689.db2.gz OWFALWNTRGXBBT-DLBZAZTESA-N 1 2 348.491 3.161 20 30 EGEDLO CCCCCCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nnc(C)o3)C[C@H]21 ZINC001189936930 1367134695 /nfs/dbraw/zinc/13/46/95/1367134695.db2.gz OWFALWNTRGXBBT-DLBZAZTESA-N 1 2 348.491 3.161 20 30 EGEDLO N#Cc1cccc2c1CC[C@H]2NC(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190105969 1367174721 /nfs/dbraw/zinc/17/47/21/1367174721.db2.gz BXXBAOZAPMIWBX-GOSISDBHSA-N 1 2 328.375 3.161 20 30 EGEDLO C#CCC1(C(=O)N(C)CCCNc2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001109536710 1367185579 /nfs/dbraw/zinc/18/55/79/1367185579.db2.gz OTWZFLCYCIQRRF-UHFFFAOYSA-N 1 2 340.471 3.116 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cccc(C)c1)C2 ZINC001109570928 1367205275 /nfs/dbraw/zinc/20/52/75/1367205275.db2.gz FABJURKMOCXBFY-SQNIBIBYSA-N 1 2 332.875 3.402 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cccc(C)c1)C2 ZINC001109570928 1367205278 /nfs/dbraw/zinc/20/52/78/1367205278.db2.gz FABJURKMOCXBFY-SQNIBIBYSA-N 1 2 332.875 3.402 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccncc2Cl)C1 ZINC001190397624 1367252450 /nfs/dbraw/zinc/25/24/50/1367252450.db2.gz NAYGUQUGEIDPHG-OAHLLOKOSA-N 1 2 335.879 3.370 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccncc2Cl)C1 ZINC001190397624 1367252456 /nfs/dbraw/zinc/25/24/56/1367252456.db2.gz NAYGUQUGEIDPHG-OAHLLOKOSA-N 1 2 335.879 3.370 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc3ccc(F)cc3s2)C1 ZINC001108057898 1367261660 /nfs/dbraw/zinc/26/16/60/1367261660.db2.gz NPTQJBWRVGXLMK-SFHVURJKSA-N 1 2 348.443 3.047 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc3ccc(F)cc3s2)C1 ZINC001108057898 1367261668 /nfs/dbraw/zinc/26/16/68/1367261668.db2.gz NPTQJBWRVGXLMK-SFHVURJKSA-N 1 2 348.443 3.047 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)CCCCCC)C1 ZINC001108120117 1367290942 /nfs/dbraw/zinc/29/09/42/1367290942.db2.gz WGIVOLWGNQPRRK-ICSRJNTNSA-N 1 2 336.520 3.213 20 30 EGEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)CCCCCC)C1 ZINC001108120117 1367290948 /nfs/dbraw/zinc/29/09/48/1367290948.db2.gz WGIVOLWGNQPRRK-ICSRJNTNSA-N 1 2 336.520 3.213 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@]1(C)C[N@H+](Cc2ccsc2)CCO1 ZINC001108188419 1367331250 /nfs/dbraw/zinc/33/12/50/1367331250.db2.gz SPJLRBNPPFPDLL-QZTJIDSGSA-N 1 2 336.501 3.058 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@]1(C)C[N@@H+](Cc2ccsc2)CCO1 ZINC001108188419 1367331253 /nfs/dbraw/zinc/33/12/53/1367331253.db2.gz SPJLRBNPPFPDLL-QZTJIDSGSA-N 1 2 336.501 3.058 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H](CNc1nc(C)[nH+]c2c1CCCC2)C1CC1 ZINC001109947798 1367419082 /nfs/dbraw/zinc/41/90/82/1367419082.db2.gz QNNZNWWALIXNAL-KRWDZBQOSA-N 1 2 342.487 3.183 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(CCC)c(C)s2)C1 ZINC001108385584 1367428778 /nfs/dbraw/zinc/42/87/78/1367428778.db2.gz KXWKPKHGFVIXAQ-GOSISDBHSA-N 1 2 336.501 3.016 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(CCC)c(C)s2)C1 ZINC001108385584 1367428781 /nfs/dbraw/zinc/42/87/81/1367428781.db2.gz KXWKPKHGFVIXAQ-GOSISDBHSA-N 1 2 336.501 3.016 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C(CC)(CC)c2ccccc2)C1 ZINC001108412229 1367440048 /nfs/dbraw/zinc/44/00/48/1367440048.db2.gz IGZMTRVKPHCFNF-HXUWFJFHSA-N 1 2 344.499 3.138 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C(CC)(CC)c2ccccc2)C1 ZINC001108412229 1367440051 /nfs/dbraw/zinc/44/00/51/1367440051.db2.gz IGZMTRVKPHCFNF-HXUWFJFHSA-N 1 2 344.499 3.138 20 30 EGEDLO C=CCC[C@H](C(=O)NC[C@]1(C)C[N@H+](CC=C)CCO1)c1ccccc1 ZINC001108444925 1367460383 /nfs/dbraw/zinc/46/03/83/1367460383.db2.gz NLDYJNPMAQMESY-PZJWPPBQSA-N 1 2 342.483 3.130 20 30 EGEDLO C=CCC[C@H](C(=O)NC[C@]1(C)C[N@@H+](CC=C)CCO1)c1ccccc1 ZINC001108444925 1367460386 /nfs/dbraw/zinc/46/03/86/1367460386.db2.gz NLDYJNPMAQMESY-PZJWPPBQSA-N 1 2 342.483 3.130 20 30 EGEDLO C#CCCCCC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@H](CC)C1 ZINC001110029598 1367466424 /nfs/dbraw/zinc/46/64/24/1367466424.db2.gz IPCYTNWTZJBSBI-SJORKVTESA-N 1 2 328.460 3.018 20 30 EGEDLO C=C[C@@H](CC(=O)NCC1(Nc2cc[nH+]c(C)n2)CC1)c1ccccc1 ZINC001110153202 1367527651 /nfs/dbraw/zinc/52/76/51/1367527651.db2.gz RRNSJOCWLZPXQT-INIZCTEOSA-N 1 2 336.439 3.206 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2cnc(Cl)s2)C1 ZINC001191840562 1367608677 /nfs/dbraw/zinc/60/86/77/1367608677.db2.gz YKZGDAFUBVSKQR-CYBMUJFWSA-N 1 2 339.892 3.023 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cnc(Cl)s2)C1 ZINC001191840562 1367608681 /nfs/dbraw/zinc/60/86/81/1367608681.db2.gz YKZGDAFUBVSKQR-CYBMUJFWSA-N 1 2 339.892 3.023 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2nc(C)sc2C)C1 ZINC001191889767 1367627801 /nfs/dbraw/zinc/62/78/01/1367627801.db2.gz KASYRPQWTPKHCV-HZPDHXFCSA-N 1 2 335.517 3.395 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(C)sc2C)C1 ZINC001191889767 1367627804 /nfs/dbraw/zinc/62/78/04/1367627804.db2.gz KASYRPQWTPKHCV-HZPDHXFCSA-N 1 2 335.517 3.395 20 30 EGEDLO CC(C)C#CC(=O)N[C@H](C)CN(C)c1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001108939067 1367673632 /nfs/dbraw/zinc/67/36/32/1367673632.db2.gz NMTWRPQWVHQXAY-MRXNPFEDSA-N 1 2 344.503 3.324 20 30 EGEDLO C=CCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cc(C)[nH+]c(C(C)C)n1 ZINC001110443836 1367726409 /nfs/dbraw/zinc/72/64/09/1367726409.db2.gz OMEWMKVKGXHNFG-CALCHBBNSA-N 1 2 342.487 3.444 20 30 EGEDLO COc1cc(C#N)ccc1C(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001192256006 1367730829 /nfs/dbraw/zinc/73/08/29/1367730829.db2.gz LUKLZCYSESANAB-UHFFFAOYSA-N 1 2 346.390 3.025 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccncc1Cl ZINC001110459614 1367749077 /nfs/dbraw/zinc/74/90/77/1367749077.db2.gz SRWNIDSLPONJFD-NXHRZFHOSA-N 1 2 345.874 3.150 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccncc1Cl ZINC001110459614 1367749083 /nfs/dbraw/zinc/74/90/83/1367749083.db2.gz SRWNIDSLPONJFD-NXHRZFHOSA-N 1 2 345.874 3.150 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2CCN(c3cc(C)[nH+]c(C4CC4)n3)[C@@H]2C1 ZINC001110488530 1367775433 /nfs/dbraw/zinc/77/54/33/1367775433.db2.gz UQEIQVBRWPSEQN-DOTOQJQBSA-N 1 2 340.471 3.056 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H](C)CN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001109120741 1367781006 /nfs/dbraw/zinc/78/10/06/1367781006.db2.gz FQQOODVWUWJFGU-AWEZNQCLSA-N 1 2 344.503 3.207 20 30 EGEDLO Cc1nc(N[C@@H]2CCN(C(=O)CC#Cc3ccccc3)[C@H](C)C2)cc[nH+]1 ZINC001110514588 1367796313 /nfs/dbraw/zinc/79/63/13/1367796313.db2.gz GZQKSZCAMNYZIO-VQIMIIECSA-N 1 2 348.450 3.018 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2cnc(Cl)s2)C1 ZINC001192586337 1367826151 /nfs/dbraw/zinc/82/61/51/1367826151.db2.gz MPCVOGRMNOSPLK-LBPRGKRZSA-N 1 2 341.908 3.432 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2cnc(Cl)s2)C1 ZINC001192586337 1367826154 /nfs/dbraw/zinc/82/61/54/1367826154.db2.gz MPCVOGRMNOSPLK-LBPRGKRZSA-N 1 2 341.908 3.432 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)cs1 ZINC001110594150 1367854571 /nfs/dbraw/zinc/85/45/71/1367854571.db2.gz GXSDRCCVOQFXRA-ZACQAIPSSA-N 1 2 345.512 3.441 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001110594150 1367854576 /nfs/dbraw/zinc/85/45/76/1367854576.db2.gz GXSDRCCVOQFXRA-ZACQAIPSSA-N 1 2 345.512 3.441 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]c(C2CC2)n1 ZINC001110693840 1367931926 /nfs/dbraw/zinc/93/19/26/1367931926.db2.gz WKCBPWJXGRPFGJ-SJORKVTESA-N 1 2 340.471 3.198 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110932990 1368102939 /nfs/dbraw/zinc/10/29/39/1368102939.db2.gz DTFLLDGIGUXBRR-XLNTUCKNSA-N 1 2 337.467 3.382 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110932990 1368102942 /nfs/dbraw/zinc/10/29/42/1368102942.db2.gz DTFLLDGIGUXBRR-XLNTUCKNSA-N 1 2 337.467 3.382 20 30 EGEDLO C=CCC1(C(=O)NC[C@]2(C)CCCN(c3cc[nH+]c(C)n3)C2)CCC1 ZINC001110956255 1368122870 /nfs/dbraw/zinc/12/28/70/1368122870.db2.gz ZWGXMRMWNJCUJB-IBGZPJMESA-N 1 2 342.487 3.254 20 30 EGEDLO CC(C)[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001111088038 1368156579 /nfs/dbraw/zinc/15/65/79/1368156579.db2.gz VHXYSKWYIQWFMN-QVSURHGTSA-N 1 2 343.446 3.211 20 30 EGEDLO CC(C)[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001111088038 1368156581 /nfs/dbraw/zinc/15/65/81/1368156581.db2.gz VHXYSKWYIQWFMN-QVSURHGTSA-N 1 2 343.446 3.211 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]([C@@H](C)Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001111211405 1368191512 /nfs/dbraw/zinc/19/15/12/1368191512.db2.gz SKEGLGTZQOAWGJ-ZBFHGGJFSA-N 1 2 342.487 3.279 20 30 EGEDLO C=C[C@@H](CC(=O)N1CC[C@H]([N@H+](C)Cc2ccon2)C1)c1ccccc1 ZINC001194200835 1368207134 /nfs/dbraw/zinc/20/71/34/1368207134.db2.gz ONNLUCJTFBAULA-LPHOPBHVSA-N 1 2 339.439 3.067 20 30 EGEDLO C=C[C@@H](CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccon2)C1)c1ccccc1 ZINC001194200835 1368207139 /nfs/dbraw/zinc/20/71/39/1368207139.db2.gz ONNLUCJTFBAULA-LPHOPBHVSA-N 1 2 339.439 3.067 20 30 EGEDLO C#CCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3nccs3)C2)CCCCC1 ZINC001194381799 1368249182 /nfs/dbraw/zinc/24/91/82/1368249182.db2.gz OCRRXOJDUNYSFP-INIZCTEOSA-N 1 2 345.512 3.150 20 30 EGEDLO C#CCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3nccs3)C2)CCCCC1 ZINC001194381799 1368249185 /nfs/dbraw/zinc/24/91/85/1368249185.db2.gz OCRRXOJDUNYSFP-INIZCTEOSA-N 1 2 345.512 3.150 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOc1cccc(C)c1)C2 ZINC001111400467 1368296879 /nfs/dbraw/zinc/29/68/79/1368296879.db2.gz AWUKDIJABVGBRO-NXHRZFHOSA-N 1 2 348.874 3.238 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOc1cccc(C)c1)C2 ZINC001111400467 1368296882 /nfs/dbraw/zinc/29/68/82/1368296882.db2.gz AWUKDIJABVGBRO-NXHRZFHOSA-N 1 2 348.874 3.238 20 30 EGEDLO CC(C)CCC(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001194785984 1368322925 /nfs/dbraw/zinc/32/29/25/1368322925.db2.gz BUPNEQMSAHFEAY-UHFFFAOYSA-N 1 2 331.435 3.168 20 30 EGEDLO CC(C)CCC(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001194785984 1368322928 /nfs/dbraw/zinc/32/29/28/1368322928.db2.gz BUPNEQMSAHFEAY-UHFFFAOYSA-N 1 2 331.435 3.168 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001112009304 1368613241 /nfs/dbraw/zinc/61/32/41/1368613241.db2.gz YITORNHEMYHXII-GOSISDBHSA-N 1 2 342.487 3.071 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CCCN(c3cc[nH+]c(C)n3)CC2)CCC1 ZINC001112011075 1368615325 /nfs/dbraw/zinc/61/53/25/1368615325.db2.gz ZQAWACISQVFIPK-INIZCTEOSA-N 1 2 328.460 3.007 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2cc(C3CC3)no2)CC1 ZINC001196831923 1368693349 /nfs/dbraw/zinc/69/33/49/1368693349.db2.gz UUFWDAMIEWRSCY-CABCVRRESA-N 1 2 331.460 3.045 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2cc(C3CC3)no2)CC1 ZINC001196831923 1368693353 /nfs/dbraw/zinc/69/33/53/1368693353.db2.gz UUFWDAMIEWRSCY-CABCVRRESA-N 1 2 331.460 3.045 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2cc(F)cc(F)c2)CC1 ZINC001196853045 1368698475 /nfs/dbraw/zinc/69/84/75/1368698475.db2.gz FJUUUUNILPLYPT-HUUCEWRRSA-N 1 2 336.426 3.457 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2cc(F)cc(F)c2)CC1 ZINC001196853045 1368698480 /nfs/dbraw/zinc/69/84/80/1368698480.db2.gz FJUUUUNILPLYPT-HUUCEWRRSA-N 1 2 336.426 3.457 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@H+](Cc2nc(C)sc2C)CC1 ZINC001196853133 1368698914 /nfs/dbraw/zinc/69/89/14/1368698914.db2.gz HLTXZRDCSVEITB-ZIAGYGMSSA-N 1 2 335.517 3.252 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](Cc2nc(C)sc2C)CC1 ZINC001196853133 1368698917 /nfs/dbraw/zinc/69/89/17/1368698917.db2.gz HLTXZRDCSVEITB-ZIAGYGMSSA-N 1 2 335.517 3.252 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2cc(F)cc(F)c2)CC1 ZINC001196853044 1368699171 /nfs/dbraw/zinc/69/91/71/1368699171.db2.gz FJUUUUNILPLYPT-GJZGRUSLSA-N 1 2 336.426 3.457 20 30 EGEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2cc(F)cc(F)c2)CC1 ZINC001196853044 1368699181 /nfs/dbraw/zinc/69/91/81/1368699181.db2.gz FJUUUUNILPLYPT-GJZGRUSLSA-N 1 2 336.426 3.457 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001196901324 1368711071 /nfs/dbraw/zinc/71/10/71/1368711071.db2.gz LVMPWIJNRMMILU-INIZCTEOSA-N 1 2 343.446 3.334 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001196901324 1368711073 /nfs/dbraw/zinc/71/10/73/1368711073.db2.gz LVMPWIJNRMMILU-INIZCTEOSA-N 1 2 343.446 3.334 20 30 EGEDLO C=CCCCC(=O)N1CCC[N@@H+](Cc2cc(O)ccc2Cl)CC1 ZINC001197000586 1368728906 /nfs/dbraw/zinc/72/89/06/1368728906.db2.gz VIAWPGPPJKEWJJ-UHFFFAOYSA-N 1 2 336.863 3.436 20 30 EGEDLO C=CCCCC(=O)N1CCC[N@H+](Cc2cc(O)ccc2Cl)CC1 ZINC001197000586 1368728911 /nfs/dbraw/zinc/72/89/11/1368728911.db2.gz VIAWPGPPJKEWJJ-UHFFFAOYSA-N 1 2 336.863 3.436 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[N@@H+](Cc2cccc(OCC)n2)CC1 ZINC001197291620 1368781418 /nfs/dbraw/zinc/78/14/18/1368781418.db2.gz IFJNFOJAIYCCFF-UHFFFAOYSA-N 1 2 345.487 3.117 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[N@H+](Cc2cccc(OCC)n2)CC1 ZINC001197291620 1368781419 /nfs/dbraw/zinc/78/14/19/1368781419.db2.gz IFJNFOJAIYCCFF-UHFFFAOYSA-N 1 2 345.487 3.117 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C[C@@H]1C ZINC001112424337 1368839477 /nfs/dbraw/zinc/83/94/77/1368839477.db2.gz NSGVLVYDXXCBHV-GUYCJALGSA-N 1 2 330.476 3.089 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@H](C)C1 ZINC001112500512 1368899449 /nfs/dbraw/zinc/89/94/49/1368899449.db2.gz XBLDPMQZFIMZBN-CXAGYDPISA-N 1 2 344.503 3.478 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC(CN(CC)c2cc[nH+]c(C)n2)CC1 ZINC001112686517 1368980454 /nfs/dbraw/zinc/98/04/54/1368980454.db2.gz ACPAADVOISQUIM-MRXNPFEDSA-N 1 2 344.503 3.452 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1cc[nH+]c(C)n1 ZINC001112776941 1368997658 /nfs/dbraw/zinc/99/76/58/1368997658.db2.gz CTSWCQJGBMOECK-YLJYHZDGSA-N 1 2 336.439 3.335 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC001112896438 1369077660 /nfs/dbraw/zinc/07/76/60/1369077660.db2.gz XLALFBUSCUDVTE-UHFFFAOYSA-N 1 2 330.472 3.250 20 30 EGEDLO C#CCC1(C(=O)N2CC[NH+](Cc3ccc4ncccc4c3)CC2)CCC1 ZINC001112953129 1369106794 /nfs/dbraw/zinc/10/67/94/1369106794.db2.gz GIOSDWOYOBXDKT-UHFFFAOYSA-N 1 2 347.462 3.073 20 30 EGEDLO C=CCOCCCC(=O)N[C@@H](C)[C@@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001112953680 1369107760 /nfs/dbraw/zinc/10/77/60/1369107760.db2.gz BZZWYQDROSMJLL-CVEARBPZSA-N 1 2 348.491 3.196 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)C1(C)CCC1)c1ccccc1OC ZINC001198835692 1369126384 /nfs/dbraw/zinc/12/63/84/1369126384.db2.gz WKUXSYKJDQPZGN-OAHLLOKOSA-N 1 2 336.863 3.385 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)C1(C)CCC1)c1ccccc1OC ZINC001198835691 1369126834 /nfs/dbraw/zinc/12/68/34/1369126834.db2.gz WKUXSYKJDQPZGN-HNNXBMFYSA-N 1 2 336.863 3.385 20 30 EGEDLO Cc1nc(N[C@@H](C)[C@H](C)NC(=O)C#CC(C)(C)C)c2c([nH+]1)CCCC2 ZINC001113004456 1369131257 /nfs/dbraw/zinc/13/12/57/1369131257.db2.gz OSRJFQARWDTUSH-KBPBESRZSA-N 1 2 342.487 3.018 20 30 EGEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(C3CCCC3)cc2)CC1 ZINC001113111303 1369209699 /nfs/dbraw/zinc/20/96/99/1369209699.db2.gz QPRUUBGDVMKMPG-UHFFFAOYSA-N 1 2 342.483 3.305 20 30 EGEDLO CCCCCCC[NH+]1CCN(C(=O)c2cccc3n[nH]cc32)CC1 ZINC001113179530 1369248102 /nfs/dbraw/zinc/24/81/02/1369248102.db2.gz XAEADYYARJTVNM-UHFFFAOYSA-N 1 2 328.460 3.291 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](CCOc2c(C)cccc2C)CC1 ZINC001113244264 1369288186 /nfs/dbraw/zinc/28/81/86/1369288186.db2.gz WQJHHECXUHDMKW-LJQANCHMSA-N 1 2 344.499 3.429 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC001113243285 1369288302 /nfs/dbraw/zinc/28/83/02/1369288302.db2.gz GQPFDFIDEFJNOI-KGLIPLIRSA-N 1 2 333.303 3.317 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](CCOc2cccc(C)c2)CC1 ZINC001113246110 1369288943 /nfs/dbraw/zinc/28/89/43/1369288943.db2.gz GYUOAYIZCYHWDJ-GOSISDBHSA-N 1 2 330.472 3.120 20 30 EGEDLO C=CCC1(C(=O)N2CC[NH+](CCOc3ccc(F)cc3)CC2)CCC1 ZINC001113310578 1369336933 /nfs/dbraw/zinc/33/69/33/1369336933.db2.gz LAGWOVZVDXZZAD-UHFFFAOYSA-N 1 2 346.446 3.095 20 30 EGEDLO C=C[C@@H](CC(=O)NC[C@@H](C)N(C)c1cc[nH+]c(C)n1)c1ccccc1 ZINC001113624417 1369525987 /nfs/dbraw/zinc/52/59/87/1369525987.db2.gz RTTAZGVPGQGJPK-WBVHZDCISA-N 1 2 338.455 3.086 20 30 EGEDLO C=CCC1(C(=O)NC[C@H](C)N(C)c2nc(C)[nH+]c(C)c2C)CCCC1 ZINC001113650316 1369543439 /nfs/dbraw/zinc/54/34/39/1369543439.db2.gz JWLIHPLQYXLKQW-AWEZNQCLSA-N 1 2 344.503 3.479 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001113728046 1369590399 /nfs/dbraw/zinc/59/03/99/1369590399.db2.gz LMYJUCYGYBPINW-CQSZACIVSA-N 1 2 330.476 3.206 20 30 EGEDLO C=C(Cl)C(C)(C)C(=O)NC[C@H](C)N(C)c1nc(C)[nH+]c(C)c1C ZINC001113735933 1369595040 /nfs/dbraw/zinc/59/50/40/1369595040.db2.gz ZBXVWMFJNPPWRI-JTQLQIEISA-N 1 2 338.883 3.121 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC001114327677 1369888818 /nfs/dbraw/zinc/88/88/18/1369888818.db2.gz ASJLZJJWWXPQRL-HWWDLCQESA-N 1 2 347.528 3.244 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC001114327677 1369888821 /nfs/dbraw/zinc/88/88/21/1369888821.db2.gz ASJLZJJWWXPQRL-HWWDLCQESA-N 1 2 347.528 3.244 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1CN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001114474079 1369964425 /nfs/dbraw/zinc/96/44/25/1369964425.db2.gz CKQKYSYSHIEALM-DYVFJYSZSA-N 1 2 344.503 3.335 20 30 EGEDLO C=CCCC(=O)N[C@@H]1CC[C@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@H]2C1 ZINC001114653862 1370007971 /nfs/dbraw/zinc/00/79/71/1370007971.db2.gz LNRRLDNLXYPOMM-RCCFBDPRSA-N 1 2 342.487 3.089 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001114724617 1370047298 /nfs/dbraw/zinc/04/72/98/1370047298.db2.gz PVFVWPVJNQGXRC-BSXFFOKHSA-N 1 2 345.487 3.121 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001114724617 1370047301 /nfs/dbraw/zinc/04/73/01/1370047301.db2.gz PVFVWPVJNQGXRC-BSXFFOKHSA-N 1 2 345.487 3.121 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]CC(F)(F)C(F)F)C12CCC2 ZINC001203280008 1370058344 /nfs/dbraw/zinc/05/83/44/1370058344.db2.gz CNDWOKOXJCYHOZ-QWRGUYRKSA-N 1 2 336.373 3.116 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H](CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001114810866 1370093304 /nfs/dbraw/zinc/09/33/04/1370093304.db2.gz LRAJPDSMYPZPTI-SHTZXODSSA-N 1 2 342.487 3.183 20 30 EGEDLO COc1cc(OC)c(OC)cc1C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001203488486 1370143497 /nfs/dbraw/zinc/14/34/97/1370143497.db2.gz QTLYTKYVUJCUCO-UHFFFAOYSA-N 1 2 338.407 3.142 20 30 EGEDLO COc1cc(OC)c(OC)cc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001203488486 1370143499 /nfs/dbraw/zinc/14/34/99/1370143499.db2.gz QTLYTKYVUJCUCO-UHFFFAOYSA-N 1 2 338.407 3.142 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccccc1OCC ZINC001203540504 1370161937 /nfs/dbraw/zinc/16/19/37/1370161937.db2.gz ACTAJXWXLIIDSX-GOSISDBHSA-N 1 2 341.455 3.121 20 30 EGEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccccc1OCC ZINC001203540504 1370161941 /nfs/dbraw/zinc/16/19/41/1370161941.db2.gz ACTAJXWXLIIDSX-GOSISDBHSA-N 1 2 341.455 3.121 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)C(C)(C)C ZINC001115172821 1370325723 /nfs/dbraw/zinc/32/57/23/1370325723.db2.gz XAMZZTXNJRXSDS-MUYACECFSA-N 1 2 343.309 3.014 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)C(C)(C)C ZINC001115172821 1370325729 /nfs/dbraw/zinc/32/57/29/1370325729.db2.gz XAMZZTXNJRXSDS-MUYACECFSA-N 1 2 343.309 3.014 20 30 EGEDLO CCCCCCCC[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001115272991 1370348431 /nfs/dbraw/zinc/34/84/31/1370348431.db2.gz CYWHKTFTCZPONS-BGTYHANMSA-N 1 2 348.491 3.003 20 30 EGEDLO CCCCCCCC[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001115272991 1370348433 /nfs/dbraw/zinc/34/84/33/1370348433.db2.gz CYWHKTFTCZPONS-BGTYHANMSA-N 1 2 348.491 3.003 20 30 EGEDLO Cc1cc(N[C@H](CCNC(=O)C#CC2CC2)C(C)C)nc(C2CC2)[nH+]1 ZINC001115312905 1370376025 /nfs/dbraw/zinc/37/60/25/1370376025.db2.gz DSCLLUZFPQQVTD-QGZVFWFLSA-N 1 2 340.471 3.019 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(OC)cc1F)CCO2 ZINC001204923256 1370607181 /nfs/dbraw/zinc/60/71/81/1370607181.db2.gz STXSURDSXXPXQO-FXAWDEMLSA-N 1 2 349.446 3.408 20 30 EGEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccc(OC)cc1F)CCO2 ZINC001204923256 1370607184 /nfs/dbraw/zinc/60/71/84/1370607184.db2.gz STXSURDSXXPXQO-FXAWDEMLSA-N 1 2 349.446 3.408 20 30 EGEDLO N#Cc1cc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)ccc1F ZINC001205455614 1370760883 /nfs/dbraw/zinc/76/08/83/1370760883.db2.gz MNSABZSFUPLBMI-UHFFFAOYSA-N 1 2 327.378 3.154 20 30 EGEDLO C=CCCOCC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001325968842 1388098902 /nfs/dbraw/zinc/09/89/02/1388098902.db2.gz OQMJXLXQVFEYSK-UHFFFAOYSA-N 1 2 342.443 3.080 20 30 EGEDLO CCCCCCCCCC(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001187367764 1388099978 /nfs/dbraw/zinc/09/99/78/1388099978.db2.gz VDUYQXAWNYQLCO-OAHLLOKOSA-N 1 2 338.521 3.369 20 30 EGEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc(C#N)c(CC#N)c1 ZINC001206509070 1371078063 /nfs/dbraw/zinc/07/80/63/1371078063.db2.gz BJDXSZOEDMDUAA-UHFFFAOYSA-N 1 2 347.418 3.132 20 30 EGEDLO N#Cc1cc(Nc2cc[nH+]c3ccc(Br)cc23)ccn1 ZINC001206594842 1371103223 /nfs/dbraw/zinc/10/32/23/1371103223.db2.gz VVYLDHIUYPMQGK-UHFFFAOYSA-N 1 2 325.169 3.429 20 30 EGEDLO COc1c(C#N)c(F)ccc1-c1ccc(C[NH+]2CCOCC2)cc1F ZINC001206740081 1371150309 /nfs/dbraw/zinc/15/03/09/1371150309.db2.gz OHDSDPDZICDONZ-UHFFFAOYSA-N 1 2 344.361 3.344 20 30 EGEDLO C=CCCC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2nc(CCCC)no2)C1 ZINC001207629502 1371458890 /nfs/dbraw/zinc/45/88/90/1371458890.db2.gz SHKUJUOVWCZWCQ-HUUCEWRRSA-N 1 2 334.464 3.020 20 30 EGEDLO CCCCCCC[NH2+][C@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001208083882 1371590817 /nfs/dbraw/zinc/59/08/17/1371590817.db2.gz HQUQSBMDGZHANE-QWHCGFSZSA-N 1 2 326.378 3.438 20 30 EGEDLO CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001208083882 1371590822 /nfs/dbraw/zinc/59/08/22/1371590822.db2.gz HQUQSBMDGZHANE-QWHCGFSZSA-N 1 2 326.378 3.438 20 30 EGEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1CC[C@H](C)c1ccc(C)o1 ZINC001208163847 1371614632 /nfs/dbraw/zinc/61/46/32/1371614632.db2.gz WIISAFNIGPXWGA-WMLDXEAASA-N 1 2 344.459 3.012 20 30 EGEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1CC[C@H](C)c1ccc(C)o1 ZINC001208163847 1371614633 /nfs/dbraw/zinc/61/46/33/1371614633.db2.gz WIISAFNIGPXWGA-WMLDXEAASA-N 1 2 344.459 3.012 20 30 EGEDLO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCn3c(C(=O)OCC)cnc3C2)CC1 ZINC001208178954 1371622760 /nfs/dbraw/zinc/62/27/60/1371622760.db2.gz YWDAQUWSBRYYGD-MRXNPFEDSA-N 1 2 329.444 3.178 20 30 EGEDLO C=C(C)[C@@H]1CC=C(C[N@H+]2CCn3c(C(=O)OCC)cnc3C2)CC1 ZINC001208178954 1371622770 /nfs/dbraw/zinc/62/27/70/1371622770.db2.gz YWDAQUWSBRYYGD-MRXNPFEDSA-N 1 2 329.444 3.178 20 30 EGEDLO O=C1C=C2C[N@@H+](CC3(c4ccccc4)CCOCC3)CC[C@H]2S1 ZINC001208221918 1371661447 /nfs/dbraw/zinc/66/14/47/1371661447.db2.gz AYICBKFCFFYHBN-QGZVFWFLSA-N 1 2 329.465 3.009 20 30 EGEDLO O=C1C=C2C[N@H+](CC3(c4ccccc4)CCOCC3)CC[C@H]2S1 ZINC001208221918 1371661448 /nfs/dbraw/zinc/66/14/48/1371661448.db2.gz AYICBKFCFFYHBN-QGZVFWFLSA-N 1 2 329.465 3.009 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C3CCCC3)n2)C[C@H]1C ZINC001208309042 1371710320 /nfs/dbraw/zinc/71/03/20/1371710320.db2.gz AFXHZQSVIHVQNH-CRAIPNDOSA-N 1 2 344.503 3.147 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C3CCCC3)n2)C[C@H]1C ZINC001208309042 1371710327 /nfs/dbraw/zinc/71/03/27/1371710327.db2.gz AFXHZQSVIHVQNH-CRAIPNDOSA-N 1 2 344.503 3.147 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001208452406 1371771626 /nfs/dbraw/zinc/77/16/26/1371771626.db2.gz JYJDKMLKZHFYGU-VQIMIIECSA-N 1 2 344.886 3.484 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001208452406 1371771629 /nfs/dbraw/zinc/77/16/29/1371771629.db2.gz JYJDKMLKZHFYGU-VQIMIIECSA-N 1 2 344.886 3.484 20 30 EGEDLO CC(C)CCCC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208842225 1371913941 /nfs/dbraw/zinc/91/39/41/1371913941.db2.gz JGMSZALNIWKQKX-DNVCBOLYSA-N 1 2 345.462 3.460 20 30 EGEDLO CC(C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208842225 1371913948 /nfs/dbraw/zinc/91/39/48/1371913948.db2.gz JGMSZALNIWKQKX-DNVCBOLYSA-N 1 2 345.462 3.460 20 30 EGEDLO C=CCN(CC[N@@H+]1CCO[C@](C)(c2ccc(C)cc2)C1)C(=O)OCC ZINC001209022803 1371976623 /nfs/dbraw/zinc/97/66/23/1371976623.db2.gz UQXJSGGIEHLDGG-FQEVSTJZSA-N 1 2 346.471 3.187 20 30 EGEDLO C=CCN(CC[N@H+]1CCO[C@](C)(c2ccc(C)cc2)C1)C(=O)OCC ZINC001209022803 1371976626 /nfs/dbraw/zinc/97/66/26/1371976626.db2.gz UQXJSGGIEHLDGG-FQEVSTJZSA-N 1 2 346.471 3.187 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)CCc1cccs1 ZINC001122441919 1372248332 /nfs/dbraw/zinc/24/83/32/1372248332.db2.gz XBQRICLVAQUWTD-MRXNPFEDSA-N 1 2 345.516 3.361 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N(C)CCc1cccs1 ZINC001122441919 1372248339 /nfs/dbraw/zinc/24/83/39/1372248339.db2.gz XBQRICLVAQUWTD-MRXNPFEDSA-N 1 2 345.516 3.361 20 30 EGEDLO Cc1cc(CN2CC[NH2+]C[C@H]2C#N)c(OCc2ccccc2)cc1C ZINC001210196586 1372291914 /nfs/dbraw/zinc/29/19/14/1372291914.db2.gz QDRIJOQWEUURHE-HXUWFJFHSA-N 1 2 335.451 3.180 20 30 EGEDLO C=CCCC(=O)N1CC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)[C@H]1C ZINC001122950830 1372346727 /nfs/dbraw/zinc/34/67/27/1372346727.db2.gz PCAMSUNGKVSAMY-CZUORRHYSA-N 1 2 328.460 3.031 20 30 EGEDLO Cc1cc(N[C@H]2CCN(C(=O)C#CC(C)(C)C)[C@@H]2C)nc(C(C)C)[nH+]1 ZINC001122977884 1372353355 /nfs/dbraw/zinc/35/33/55/1372353355.db2.gz OUQCQIQNQRROBJ-CVEARBPZSA-N 1 2 342.487 3.359 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C[C@H]1C ZINC001123291003 1372416151 /nfs/dbraw/zinc/41/61/51/1372416151.db2.gz SCRFGFYZQSTQJZ-GDBMZVCRSA-N 1 2 342.487 3.421 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@@H]2CCC[C@@H](Nc3cc[nH+]c(C)n3)[C@@H]2C1 ZINC001123487463 1372487263 /nfs/dbraw/zinc/48/72/63/1372487263.db2.gz PAAORWQZBVCSER-GVDBMIGSSA-N 1 2 328.460 3.180 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@H]1C ZINC001123660839 1372545849 /nfs/dbraw/zinc/54/58/49/1372545849.db2.gz HHYXFKBPOPQOIE-FUHWJXTLSA-N 1 2 342.487 3.069 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@H]1C ZINC001123671133 1372551807 /nfs/dbraw/zinc/55/18/07/1372551807.db2.gz UZLXBWFFXOZBCC-RDJZCZTQSA-N 1 2 344.503 3.478 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ncccn3)C[C@H]2C)CCCC1 ZINC001211495840 1372568696 /nfs/dbraw/zinc/56/86/96/1372568696.db2.gz YWBWHBPRKNFJCN-BRWVUGGUSA-N 1 2 342.487 3.111 20 30 EGEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3ncccn3)C[C@H]2C)CCCC1 ZINC001211495840 1372568698 /nfs/dbraw/zinc/56/86/98/1372568698.db2.gz YWBWHBPRKNFJCN-BRWVUGGUSA-N 1 2 342.487 3.111 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)C(C)(C)F)c2C1 ZINC001128164845 1373227669 /nfs/dbraw/zinc/22/76/69/1373227669.db2.gz RQRKWWHSBJEYKN-UHFFFAOYSA-N 1 2 338.471 3.033 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)C(C)(C)F)c2C1 ZINC001128164845 1373227671 /nfs/dbraw/zinc/22/76/71/1373227671.db2.gz RQRKWWHSBJEYKN-UHFFFAOYSA-N 1 2 338.471 3.033 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H](C)CCC(C)(C)C)c2C1 ZINC001128549312 1373288481 /nfs/dbraw/zinc/28/84/81/1373288481.db2.gz IPFVIMWYNKXBGM-MRXNPFEDSA-N 1 2 346.519 3.353 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H](C)CCC(C)(C)C)c2C1 ZINC001128549312 1373288485 /nfs/dbraw/zinc/28/84/85/1373288485.db2.gz IPFVIMWYNKXBGM-MRXNPFEDSA-N 1 2 346.519 3.353 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)CCCCCC)C[C@@H](C)O2 ZINC001131696869 1373768403 /nfs/dbraw/zinc/76/84/03/1373768403.db2.gz CBQRZRVEJREKHF-AEFFLSMTSA-N 1 2 342.911 3.401 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CCCCCC)C[C@@H](C)O2 ZINC001131696869 1373768409 /nfs/dbraw/zinc/76/84/09/1373768409.db2.gz CBQRZRVEJREKHF-AEFFLSMTSA-N 1 2 342.911 3.401 20 30 EGEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@H+](Cc3sccc3Cl)C[C@H]21 ZINC001221530195 1373777563 /nfs/dbraw/zinc/77/75/63/1373777563.db2.gz ZGYCPQOXJOBEEF-UKRRQHHQSA-N 1 2 336.888 3.094 20 30 EGEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@@H+](Cc3sccc3Cl)C[C@H]21 ZINC001221530195 1373777564 /nfs/dbraw/zinc/77/75/64/1373777564.db2.gz ZGYCPQOXJOBEEF-UKRRQHHQSA-N 1 2 336.888 3.094 20 30 EGEDLO CCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001131746286 1373783272 /nfs/dbraw/zinc/78/32/72/1373783272.db2.gz BMEMQEYROFBMLV-WBVHZDCISA-N 1 2 332.875 3.461 20 30 EGEDLO CCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001131746286 1373783277 /nfs/dbraw/zinc/78/32/77/1373783277.db2.gz BMEMQEYROFBMLV-WBVHZDCISA-N 1 2 332.875 3.461 20 30 EGEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1cnn(Cc2ccccc2)c1 ZINC001326691336 1388283435 /nfs/dbraw/zinc/28/34/35/1388283435.db2.gz XFOCXEITGRNBLK-ZHACJKMWSA-N 1 2 332.407 3.289 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)/C(C)=C\CC)CC[C@@H]1C ZINC001131917417 1375045028 /nfs/dbraw/zinc/04/50/28/1375045028.db2.gz GUOCEGDGCPIURB-ULKYWBSGSA-N 1 2 329.282 3.220 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)/C(C)=C\CC)CC[C@@H]1C ZINC001131917417 1375045035 /nfs/dbraw/zinc/04/50/35/1375045035.db2.gz GUOCEGDGCPIURB-ULKYWBSGSA-N 1 2 329.282 3.220 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cccc(F)c2F)C1 ZINC001132002429 1375092381 /nfs/dbraw/zinc/09/23/81/1375092381.db2.gz JTORSZHWLXHADB-HOCLYGCPSA-N 1 2 334.410 3.237 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cccc(F)c2F)C1 ZINC001132002429 1375092383 /nfs/dbraw/zinc/09/23/83/1375092383.db2.gz JTORSZHWLXHADB-HOCLYGCPSA-N 1 2 334.410 3.237 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC001132017009 1375100343 /nfs/dbraw/zinc/10/03/43/1375100343.db2.gz LYSKZSKKRADHGS-GDBMZVCRSA-N 1 2 334.410 3.093 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC001132017009 1375100345 /nfs/dbraw/zinc/10/03/45/1375100345.db2.gz LYSKZSKKRADHGS-GDBMZVCRSA-N 1 2 334.410 3.093 20 30 EGEDLO Cc1nc(C[N@H+]2C[C@H](NC(=O)C#CC(C)(C)C)CC[C@@H]2C)sc1C ZINC001132034901 1375109466 /nfs/dbraw/zinc/10/94/66/1375109466.db2.gz WGWPHNAVIONZMU-XJKSGUPXSA-N 1 2 347.528 3.279 20 30 EGEDLO Cc1nc(C[N@@H+]2C[C@H](NC(=O)C#CC(C)(C)C)CC[C@@H]2C)sc1C ZINC001132034901 1375109471 /nfs/dbraw/zinc/10/94/71/1375109471.db2.gz WGWPHNAVIONZMU-XJKSGUPXSA-N 1 2 347.528 3.279 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccn(CC)n2)C1 ZINC001132056984 1375123266 /nfs/dbraw/zinc/12/32/66/1375123266.db2.gz ICESWAAWJDPCRO-WMZOPIPTSA-N 1 2 344.503 3.141 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccn(CC)n2)C1 ZINC001132056984 1375123268 /nfs/dbraw/zinc/12/32/68/1375123268.db2.gz ICESWAAWJDPCRO-WMZOPIPTSA-N 1 2 344.503 3.141 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001132218265 1375215934 /nfs/dbraw/zinc/21/59/34/1375215934.db2.gz OHMZESGKBVOKBW-PBHICJAKSA-N 1 2 343.446 3.379 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001132218265 1375215939 /nfs/dbraw/zinc/21/59/39/1375215939.db2.gz OHMZESGKBVOKBW-PBHICJAKSA-N 1 2 343.446 3.379 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2nc(C)sc2C)C1 ZINC001132235011 1375228844 /nfs/dbraw/zinc/22/88/44/1375228844.db2.gz HUKGGMURYIWFSJ-WMLDXEAASA-N 1 2 347.528 3.423 20 30 EGEDLO CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2nc(C)sc2C)C1 ZINC001132235011 1375228848 /nfs/dbraw/zinc/22/88/48/1375228848.db2.gz HUKGGMURYIWFSJ-WMLDXEAASA-N 1 2 347.528 3.423 20 30 EGEDLO C=CCCC(=O)NC1CC[NH+]([C@@H](C)c2nc(CCCC)no2)CC1 ZINC001226518663 1375273610 /nfs/dbraw/zinc/27/36/10/1375273610.db2.gz KGDJDQJPJALVQX-AWEZNQCLSA-N 1 2 334.464 3.020 20 30 EGEDLO C[C@H](C#N)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC001226639789 1375297931 /nfs/dbraw/zinc/29/79/31/1375297931.db2.gz GXTUPXHPECKBSA-LLVKDONJSA-N 1 2 340.254 3.234 20 30 EGEDLO C#CCCCCCC(=O)NCC[NH2+][C@@H](C)c1ncc(C(C)(C)C)o1 ZINC001132407826 1375358673 /nfs/dbraw/zinc/35/86/73/1375358673.db2.gz PFHGAALCSCPJFC-HNNXBMFYSA-N 1 2 333.476 3.323 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC1CC[NH+]([C@@H](C)c2nnc(C)s2)CC1 ZINC001228589731 1375606637 /nfs/dbraw/zinc/60/66/37/1375606637.db2.gz YGUCSQBIBSTZBD-LBPRGKRZSA-N 1 2 336.505 3.090 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC1CC[NH+]([C@H](C)c2nc(C3CC3)no2)CC1 ZINC001228597546 1375609875 /nfs/dbraw/zinc/60/98/75/1375609875.db2.gz SJGBTQRPKWLXOQ-CYBMUJFWSA-N 1 2 346.475 3.191 20 30 EGEDLO C=C[C@@H](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccn(C(C)C)n2)CC1 ZINC001228749657 1375661555 /nfs/dbraw/zinc/66/15/55/1375661555.db2.gz UQSAOMVFDRWREQ-HZPDHXFCSA-N 1 2 332.492 3.003 20 30 EGEDLO CC(=O)c1cccc(O)c1O[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001229652322 1375871766 /nfs/dbraw/zinc/87/17/66/1375871766.db2.gz LZBPCHGLOOLLDO-KRWDZBQOSA-N 1 2 336.391 3.120 20 30 EGEDLO CC(=O)c1cccc(O)c1O[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001229652322 1375871768 /nfs/dbraw/zinc/87/17/68/1375871768.db2.gz LZBPCHGLOOLLDO-KRWDZBQOSA-N 1 2 336.391 3.120 20 30 EGEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H](C)[C@H](C)CC)CC1 ZINC001229776785 1375892486 /nfs/dbraw/zinc/89/24/86/1375892486.db2.gz VLRUDTUBTINSBG-DGCLKSJQSA-N 1 2 331.298 3.158 20 30 EGEDLO C=C1CCC(C(=O)NCC[NH2+][C@@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC001133373745 1375954356 /nfs/dbraw/zinc/95/43/56/1375954356.db2.gz IAZOMXVUSSZQDZ-AWEZNQCLSA-N 1 2 333.476 3.485 20 30 EGEDLO CCC[C@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001231311401 1376225817 /nfs/dbraw/zinc/22/58/17/1376225817.db2.gz IQYBMZQOPMPZOA-WMLDXEAASA-N 1 2 331.435 3.166 20 30 EGEDLO CCC[C@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001231311401 1376225821 /nfs/dbraw/zinc/22/58/21/1376225821.db2.gz IQYBMZQOPMPZOA-WMLDXEAASA-N 1 2 331.435 3.166 20 30 EGEDLO CCC[C@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC001231310952 1376226264 /nfs/dbraw/zinc/22/62/64/1376226264.db2.gz DVZHKPDFUZQREY-YJBOKZPZSA-N 1 2 343.471 3.036 20 30 EGEDLO CCC[C@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(C#N)ccc1OC ZINC001231310952 1376226271 /nfs/dbraw/zinc/22/62/71/1376226271.db2.gz DVZHKPDFUZQREY-YJBOKZPZSA-N 1 2 343.471 3.036 20 30 EGEDLO CCCOc1ncccc1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001231863056 1376327999 /nfs/dbraw/zinc/32/79/99/1376327999.db2.gz LQNWLJRUVZLZLV-UHFFFAOYSA-N 1 2 336.439 3.064 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(Cl)cnc1F)C2 ZINC001231994939 1376374043 /nfs/dbraw/zinc/37/40/43/1376374043.db2.gz YHIZRWIURCTSEM-WBVHZDCISA-N 1 2 340.826 3.200 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(Cl)cnc1F)C2 ZINC001231994939 1376374048 /nfs/dbraw/zinc/37/40/48/1376374048.db2.gz YHIZRWIURCTSEM-WBVHZDCISA-N 1 2 340.826 3.200 20 30 EGEDLO N#Cc1ccc(O)c(C[N@@H+]2CCCN(c3ccc(F)cc3)CC2)c1 ZINC001232681291 1376501944 /nfs/dbraw/zinc/50/19/44/1376501944.db2.gz OTKBQMPAEWZCJM-UHFFFAOYSA-N 1 2 325.387 3.115 20 30 EGEDLO N#Cc1ccc(O)c(C[N@H+]2CCCN(c3ccc(F)cc3)CC2)c1 ZINC001232681291 1376501947 /nfs/dbraw/zinc/50/19/47/1376501947.db2.gz OTKBQMPAEWZCJM-UHFFFAOYSA-N 1 2 325.387 3.115 20 30 EGEDLO Cc1ccc(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c(C#N)c1 ZINC001232963522 1376548484 /nfs/dbraw/zinc/54/84/84/1376548484.db2.gz IHPCLXWADLTTGX-UHFFFAOYSA-N 1 2 329.444 3.310 20 30 EGEDLO Cc1ccc(C[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c(C#N)c1 ZINC001232963522 1376548486 /nfs/dbraw/zinc/54/84/86/1376548486.db2.gz IHPCLXWADLTTGX-UHFFFAOYSA-N 1 2 329.444 3.310 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](F)C1 ZINC001233080050 1376566058 /nfs/dbraw/zinc/56/60/58/1376566058.db2.gz CACBIABZCKLNPG-IAGOWNOFSA-N 1 2 347.434 3.304 20 30 EGEDLO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](F)C1 ZINC001233080050 1376566061 /nfs/dbraw/zinc/56/60/61/1376566061.db2.gz CACBIABZCKLNPG-IAGOWNOFSA-N 1 2 347.434 3.304 20 30 EGEDLO C=CCn1cccc1C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(F)(F)C(F)F ZINC001134639022 1376636790 /nfs/dbraw/zinc/63/67/90/1376636790.db2.gz WWDDMVWYJCRSMM-VXGBXAGGSA-N 1 2 349.372 3.061 20 30 EGEDLO CC(C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F)=C1CCC1 ZINC001234150677 1376778193 /nfs/dbraw/zinc/77/81/93/1376778193.db2.gz IOYYXXOWNHHVPE-GOSISDBHSA-N 1 2 341.430 3.230 20 30 EGEDLO CC(C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(C#N)ccc1F)=C1CCC1 ZINC001234150677 1376778195 /nfs/dbraw/zinc/77/81/95/1376778195.db2.gz IOYYXXOWNHHVPE-GOSISDBHSA-N 1 2 341.430 3.230 20 30 EGEDLO CC(C)c1cccc(C[N@@H+]2CC[C@H]2CN(C)C(=O)C#CC(C)(C)C)n1 ZINC001234196497 1376784783 /nfs/dbraw/zinc/78/47/83/1376784783.db2.gz URGOAVOCYGRKHJ-SFHVURJKSA-N 1 2 341.499 3.287 20 30 EGEDLO CC(C)c1cccc(C[N@H+]2CC[C@H]2CN(C)C(=O)C#CC(C)(C)C)n1 ZINC001234196497 1376784786 /nfs/dbraw/zinc/78/47/86/1376784786.db2.gz URGOAVOCYGRKHJ-SFHVURJKSA-N 1 2 341.499 3.287 20 30 EGEDLO CC(C)(C)OC(=O)N1CCc2c1cccc2C[N@@H+]1CC[C@H](C#N)C1 ZINC001236981300 1376969934 /nfs/dbraw/zinc/96/99/34/1376969934.db2.gz UDQGEPCKQWESTQ-CQSZACIVSA-N 1 2 327.428 3.330 20 30 EGEDLO CC(C)(C)OC(=O)N1CCc2c1cccc2C[N@H+]1CC[C@H](C#N)C1 ZINC001236981300 1376969938 /nfs/dbraw/zinc/96/99/38/1376969938.db2.gz UDQGEPCKQWESTQ-CQSZACIVSA-N 1 2 327.428 3.330 20 30 EGEDLO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ncc(Cl)s1)C2 ZINC001137106617 1377479760 /nfs/dbraw/zinc/47/97/60/1377479760.db2.gz MXDUAGXRTRZMQS-CJNGLKHVSA-N 1 2 342.892 3.370 20 30 EGEDLO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ncc(Cl)s1)C2 ZINC001137106617 1377479761 /nfs/dbraw/zinc/47/97/61/1377479761.db2.gz MXDUAGXRTRZMQS-CJNGLKHVSA-N 1 2 342.892 3.370 20 30 EGEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(Cl)nc1F)CC2 ZINC001137473083 1377554137 /nfs/dbraw/zinc/55/41/37/1377554137.db2.gz YHWIGLYHLBYZPD-UHFFFAOYSA-N 1 2 337.826 3.017 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@H](C)CCC)C1 ZINC001189271261 1388504040 /nfs/dbraw/zinc/50/40/40/1388504040.db2.gz YZSWFKPGTIRPBP-OCCSQVGLSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)CCC)C1 ZINC001189271261 1388504045 /nfs/dbraw/zinc/50/40/45/1388504045.db2.gz YZSWFKPGTIRPBP-OCCSQVGLSA-N 1 2 331.298 3.254 20 30 EGEDLO COC(=O)C1(C#N)CC[NH+](Cc2c[nH]c3ccc(Cl)cc23)CC1 ZINC001137716129 1377604771 /nfs/dbraw/zinc/60/47/71/1377604771.db2.gz UVJYDJSCVXSZAK-UHFFFAOYSA-N 1 2 331.803 3.100 20 30 EGEDLO C=C(C)COc1ccccc1C[N@@H+]1Cc2ncn(C)c2[C@H](COC)C1 ZINC001138661659 1377764588 /nfs/dbraw/zinc/76/45/88/1377764588.db2.gz YYYHUDKXBXADPA-KRWDZBQOSA-N 1 2 341.455 3.121 20 30 EGEDLO C=C(C)COc1ccccc1C[N@H+]1Cc2ncn(C)c2[C@H](COC)C1 ZINC001138661659 1377764592 /nfs/dbraw/zinc/76/45/92/1377764592.db2.gz YYYHUDKXBXADPA-KRWDZBQOSA-N 1 2 341.455 3.121 20 30 EGEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001139686984 1377934416 /nfs/dbraw/zinc/93/44/16/1377934416.db2.gz JGNIDWBNJJUICP-AWEZNQCLSA-N 1 2 332.753 3.491 20 30 EGEDLO N#Cc1c(Cl)cccc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001139686984 1377934414 /nfs/dbraw/zinc/93/44/14/1377934414.db2.gz JGNIDWBNJJUICP-AWEZNQCLSA-N 1 2 332.753 3.491 20 30 EGEDLO Cc1ccc(C[N@@H+]2CCC[C@@H]3[C@@H]2CN3C(=O)OC(C)(C)C)cc1C#N ZINC001139724967 1377942119 /nfs/dbraw/zinc/94/21/19/1377942119.db2.gz XZGLKHGWWSXXSY-MSOLQXFVSA-N 1 2 341.455 3.450 20 30 EGEDLO Cc1ccc(C[N@H+]2CCC[C@@H]3[C@@H]2CN3C(=O)OC(C)(C)C)cc1C#N ZINC001139724967 1377942121 /nfs/dbraw/zinc/94/21/21/1377942121.db2.gz XZGLKHGWWSXXSY-MSOLQXFVSA-N 1 2 341.455 3.450 20 30 EGEDLO CC(C)(C)OC(=O)NCC12CC(C1)C[N@@H+]2Cc1cc(F)cc(C#N)c1 ZINC001139873643 1377968494 /nfs/dbraw/zinc/96/84/94/1377968494.db2.gz YVIUDJDBISHJOU-UHFFFAOYSA-N 1 2 345.418 3.186 20 30 EGEDLO CC(C)(C)OC(=O)NCC12CC(C1)C[N@H+]2Cc1cc(F)cc(C#N)c1 ZINC001139873643 1377968497 /nfs/dbraw/zinc/96/84/97/1377968497.db2.gz YVIUDJDBISHJOU-UHFFFAOYSA-N 1 2 345.418 3.186 20 30 EGEDLO N#Cc1cc(F)cc(C[NH+]2CCN(c3nccc4occc43)CC2)c1 ZINC001139874984 1377969855 /nfs/dbraw/zinc/96/98/55/1377969855.db2.gz FGBKSZPQRSYGGL-UHFFFAOYSA-N 1 2 336.370 3.161 20 30 EGEDLO N#Cc1ccc(Cl)c(C[NH+]2CCN(c3ccc(O)cc3)CC2)c1 ZINC001140599402 1378094691 /nfs/dbraw/zinc/09/46/91/1378094691.db2.gz AZJTWUREMIDJFB-UHFFFAOYSA-N 1 2 327.815 3.239 20 30 EGEDLO N#Cc1c(F)cc(C[N@@H+]2CCC[C@H](Oc3ccncc3)C2)cc1F ZINC001140755882 1378130665 /nfs/dbraw/zinc/13/06/65/1378130665.db2.gz XHALYHIWHYGTAW-HNNXBMFYSA-N 1 2 329.350 3.275 20 30 EGEDLO N#Cc1c(F)cc(C[N@H+]2CCC[C@H](Oc3ccncc3)C2)cc1F ZINC001140755882 1378130666 /nfs/dbraw/zinc/13/06/66/1378130666.db2.gz XHALYHIWHYGTAW-HNNXBMFYSA-N 1 2 329.350 3.275 20 30 EGEDLO Cn1c[nH+]c2c1CCN(Cc1ccc(C#Cc3ccccc3)s1)C2 ZINC001141977765 1378400438 /nfs/dbraw/zinc/40/04/38/1378400438.db2.gz OSOXTXPLLMQWJM-UHFFFAOYSA-N 1 2 333.460 3.440 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(F)ccc(C#N)c1F)C2 ZINC001143170987 1378552981 /nfs/dbraw/zinc/55/29/81/1378552981.db2.gz NRXZGSFSKIQTTP-BEFAXECRSA-N 1 2 348.393 3.163 20 30 EGEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1c(F)ccc(C#N)c1F)C2 ZINC001143170987 1378552987 /nfs/dbraw/zinc/55/29/87/1378552987.db2.gz NRXZGSFSKIQTTP-BEFAXECRSA-N 1 2 348.393 3.163 20 30 EGEDLO Cc1csc([C@H]2C[C@@H]3CC[N@H+](Cc4cncc(C#N)c4)C[C@H]3O2)n1 ZINC001144074718 1378679811 /nfs/dbraw/zinc/67/98/11/1378679811.db2.gz BDTXJAAFSSFYEF-GVDBMIGSSA-N 1 2 340.452 3.070 20 30 EGEDLO Cc1csc([C@H]2C[C@@H]3CC[N@@H+](Cc4cncc(C#N)c4)C[C@H]3O2)n1 ZINC001144074718 1378679815 /nfs/dbraw/zinc/67/98/15/1378679815.db2.gz BDTXJAAFSSFYEF-GVDBMIGSSA-N 1 2 340.452 3.070 20 30 EGEDLO CCCCCCCCC(=O)N1CC2(C1)CC[N@H+](Cc1nnc(C)o1)C2 ZINC001148666031 1379237144 /nfs/dbraw/zinc/23/71/44/1379237144.db2.gz IEVXXWVMRQFBMI-UHFFFAOYSA-N 1 2 348.491 3.163 20 30 EGEDLO CCCCCCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(C)o1)C2 ZINC001148666031 1379237150 /nfs/dbraw/zinc/23/71/50/1379237150.db2.gz IEVXXWVMRQFBMI-UHFFFAOYSA-N 1 2 348.491 3.163 20 30 EGEDLO CCCCCCCCCC(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001148821059 1379276699 /nfs/dbraw/zinc/27/66/99/1379276699.db2.gz UGURZGXULQDZGG-UHFFFAOYSA-N 1 2 336.480 3.294 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001150363050 1379538766 /nfs/dbraw/zinc/53/87/66/1379538766.db2.gz JQRUTRMSYWEVEW-ZBFHGGJFSA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001150363050 1379538772 /nfs/dbraw/zinc/53/87/72/1379538772.db2.gz JQRUTRMSYWEVEW-ZBFHGGJFSA-N 1 2 344.927 3.408 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCc2scnc2C)[C@H]1C ZINC001284152591 1379548347 /nfs/dbraw/zinc/54/83/47/1379548347.db2.gz IPKMVZQYLKCQHI-KGLIPLIRSA-N 1 2 341.908 3.106 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCc2scnc2C)[C@H]1C ZINC001284152591 1379548349 /nfs/dbraw/zinc/54/83/49/1379548349.db2.gz IPKMVZQYLKCQHI-KGLIPLIRSA-N 1 2 341.908 3.106 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001150745735 1379605333 /nfs/dbraw/zinc/60/53/33/1379605333.db2.gz RJJSAVMODWTGDF-SJLPKXTDSA-N 1 2 340.895 3.083 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001150745735 1379605335 /nfs/dbraw/zinc/60/53/35/1379605335.db2.gz RJJSAVMODWTGDF-SJLPKXTDSA-N 1 2 340.895 3.083 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001150745733 1379605499 /nfs/dbraw/zinc/60/54/99/1379605499.db2.gz RJJSAVMODWTGDF-AEFFLSMTSA-N 1 2 340.895 3.083 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001150745733 1379605503 /nfs/dbraw/zinc/60/55/03/1379605503.db2.gz RJJSAVMODWTGDF-AEFFLSMTSA-N 1 2 340.895 3.083 20 30 EGEDLO C=CCC1(C(=O)NCC[NH2+]Cc2ncc(C3CC3)o2)CCCCC1 ZINC001152010938 1379839075 /nfs/dbraw/zinc/83/90/75/1379839075.db2.gz VHDJIWLJYVLBNN-UHFFFAOYSA-N 1 2 331.460 3.284 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)CCC1CC1 ZINC001152489046 1379942121 /nfs/dbraw/zinc/94/21/21/1379942121.db2.gz QKJZJTWHNLJPSY-CQSZACIVSA-N 1 2 331.435 3.214 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)CCC1CC1 ZINC001152489046 1379942122 /nfs/dbraw/zinc/94/21/22/1379942122.db2.gz QKJZJTWHNLJPSY-CQSZACIVSA-N 1 2 331.435 3.214 20 30 EGEDLO CC[N@H+](Cc1c(F)cccc1F)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153281272 1380047914 /nfs/dbraw/zinc/04/79/14/1380047914.db2.gz INQIFWRIAMUGQK-CQSZACIVSA-N 1 2 336.426 3.341 20 30 EGEDLO CC[N@@H+](Cc1c(F)cccc1F)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153281272 1380047918 /nfs/dbraw/zinc/04/79/18/1380047918.db2.gz INQIFWRIAMUGQK-CQSZACIVSA-N 1 2 336.426 3.341 20 30 EGEDLO C=CCC[C@H](C(=O)NCC[NH2+]Cc1ncc(CC)o1)c1ccccc1 ZINC001153817167 1380135448 /nfs/dbraw/zinc/13/54/48/1380135448.db2.gz MFYRUUIXAVFTEO-SFHVURJKSA-N 1 2 341.455 3.193 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(Cl)n1C ZINC001154584466 1380310740 /nfs/dbraw/zinc/31/07/40/1380310740.db2.gz IKGKNYLGMMOBLI-CYBMUJFWSA-N 1 2 340.899 3.002 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(Cl)n1C ZINC001154584466 1380310741 /nfs/dbraw/zinc/31/07/41/1380310741.db2.gz IKGKNYLGMMOBLI-CYBMUJFWSA-N 1 2 340.899 3.002 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1nc(C)c(C)o1 ZINC001154606055 1380315553 /nfs/dbraw/zinc/31/55/53/1380315553.db2.gz YVZFNVJFFCCSKT-OAHLLOKOSA-N 1 2 333.476 3.202 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc(C)c(C)o1 ZINC001154606055 1380315554 /nfs/dbraw/zinc/31/55/54/1380315554.db2.gz YVZFNVJFFCCSKT-OAHLLOKOSA-N 1 2 333.476 3.202 20 30 EGEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C(C)(C)CC ZINC001154963661 1380382013 /nfs/dbraw/zinc/38/20/13/1380382013.db2.gz SIJYZNAVWAKXLD-CQSZACIVSA-N 1 2 333.451 3.460 20 30 EGEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C(C)(C)CC ZINC001154963661 1380382015 /nfs/dbraw/zinc/38/20/15/1380382015.db2.gz SIJYZNAVWAKXLD-CQSZACIVSA-N 1 2 333.451 3.460 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@H+](CC)Cc1nc2c(o1)CCCC2 ZINC001155073584 1380403512 /nfs/dbraw/zinc/40/35/12/1380403512.db2.gz YIKZMQAZVNSPAC-FOIQADDNSA-N 1 2 347.503 3.482 20 30 EGEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc2c(o1)CCCC2 ZINC001155073584 1380403514 /nfs/dbraw/zinc/40/35/14/1380403514.db2.gz YIKZMQAZVNSPAC-FOIQADDNSA-N 1 2 347.503 3.482 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC12CCCC2 ZINC001156201103 1380541565 /nfs/dbraw/zinc/54/15/65/1380541565.db2.gz VEBSSTUNABROGA-ZIAGYGMSSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC12CCCC2 ZINC001156201103 1380541568 /nfs/dbraw/zinc/54/15/68/1380541568.db2.gz VEBSSTUNABROGA-ZIAGYGMSSA-N 1 2 343.309 3.302 20 30 EGEDLO CCCCCCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1nccn1C ZINC001156548793 1380593153 /nfs/dbraw/zinc/59/31/53/1380593153.db2.gz HURPIVWHTAKJRL-QGZVFWFLSA-N 1 2 336.524 3.497 20 30 EGEDLO CCCCCCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nccn1C ZINC001156548793 1380593155 /nfs/dbraw/zinc/59/31/55/1380593155.db2.gz HURPIVWHTAKJRL-QGZVFWFLSA-N 1 2 336.524 3.497 20 30 EGEDLO C=C[C@H](CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccon1)c1ccccc1 ZINC001157068524 1380767920 /nfs/dbraw/zinc/76/79/20/1380767920.db2.gz CFKSRMVSZDSISF-IAGOWNOFSA-N 1 2 341.455 3.361 20 30 EGEDLO C=C[C@H](CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccon1)c1ccccc1 ZINC001157068524 1380767927 /nfs/dbraw/zinc/76/79/27/1380767927.db2.gz CFKSRMVSZDSISF-IAGOWNOFSA-N 1 2 341.455 3.361 20 30 EGEDLO CCN(CCn1cc[nH+]c1)c1ccc([C@@H](C#N)c2ccc(C)cc2)nn1 ZINC001157459625 1380909194 /nfs/dbraw/zinc/90/91/94/1380909194.db2.gz DPMXJCMPQCIEND-SFHVURJKSA-N 1 2 346.438 3.164 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)C=C(C)C ZINC001157493229 1380943413 /nfs/dbraw/zinc/94/34/13/1380943413.db2.gz ACUGRDNEWJNJJR-CQSZACIVSA-N 1 2 329.282 3.174 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C=C(C)C ZINC001157493229 1380943437 /nfs/dbraw/zinc/94/34/37/1380943437.db2.gz ACUGRDNEWJNJJR-CQSZACIVSA-N 1 2 329.282 3.174 20 30 EGEDLO N#Cc1nc(Cl)ccc1C(F)(F)NCCc1cn2ccccc2[nH+]1 ZINC001158144483 1381140319 /nfs/dbraw/zinc/14/03/19/1381140319.db2.gz DDXKVJXDIOJOAU-UHFFFAOYSA-N 1 2 347.756 3.136 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nccc(C)n1 ZINC001158370646 1381221474 /nfs/dbraw/zinc/22/14/74/1381221474.db2.gz XGYWRMABYCTVFC-SJLPKXTDSA-N 1 2 344.503 3.200 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nccc(C)n1 ZINC001158370646 1381221479 /nfs/dbraw/zinc/22/14/79/1381221479.db2.gz XGYWRMABYCTVFC-SJLPKXTDSA-N 1 2 344.503 3.200 20 30 EGEDLO Cc1[nH+]c(N2CCC[C@H](C(=O)OCc3ccccc3)C2)ccc1CC#N ZINC001158417853 1381238880 /nfs/dbraw/zinc/23/88/80/1381238880.db2.gz JBNIZWRHLXZNCX-IBGZPJMESA-N 1 2 349.434 3.416 20 30 EGEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC12CC2 ZINC001158529871 1381283963 /nfs/dbraw/zinc/28/39/63/1381283963.db2.gz RDIRMBTWAPVTTN-ZIAGYGMSSA-N 1 2 341.293 3.008 20 30 EGEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC12CC2 ZINC001158529871 1381283971 /nfs/dbraw/zinc/28/39/71/1381283971.db2.gz RDIRMBTWAPVTTN-ZIAGYGMSSA-N 1 2 341.293 3.008 20 30 EGEDLO N#Cc1ccc2cc[nH+]c(NCCOc3ccc4c(c3)OCO4)c2c1 ZINC001158939729 1381474724 /nfs/dbraw/zinc/47/47/24/1381474724.db2.gz JHKHRCQXUPHCPD-UHFFFAOYSA-N 1 2 333.347 3.326 20 30 EGEDLO C=CCCOCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC=C(Cl)Cl ZINC001158966669 1381488821 /nfs/dbraw/zinc/48/88/21/1381488821.db2.gz QKSSPJUERWLXDM-CQSZACIVSA-N 1 2 349.302 3.211 20 30 EGEDLO C=CCCOCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC=C(Cl)Cl ZINC001158966669 1381488833 /nfs/dbraw/zinc/48/88/33/1381488833.db2.gz QKSSPJUERWLXDM-CQSZACIVSA-N 1 2 349.302 3.211 20 30 EGEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CC2(C)C)CC1 ZINC001159827804 1381912359 /nfs/dbraw/zinc/91/23/59/1381912359.db2.gz MNIYWJIJTZWZHR-AWEZNQCLSA-N 1 2 341.293 3.080 20 30 EGEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC2(C)C)CC1 ZINC001159827804 1381912364 /nfs/dbraw/zinc/91/23/64/1381912364.db2.gz MNIYWJIJTZWZHR-AWEZNQCLSA-N 1 2 341.293 3.080 20 30 EGEDLO N#CCc1cc[nH+]c(N[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)c1 ZINC001162965532 1382929880 /nfs/dbraw/zinc/92/98/80/1382929880.db2.gz ZYALQDHBEVPXFR-OAHLLOKOSA-N 1 2 340.814 3.014 20 30 EGEDLO N#Cc1cc(Cl)nc(C(F)(F)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC001165160212 1383239053 /nfs/dbraw/zinc/23/90/53/1383239053.db2.gz ROEPALYFBSJWRN-UHFFFAOYSA-N 1 2 337.761 3.190 20 30 EGEDLO C=CC1(CC(=O)NCCC[NH2+][C@@H](C)c2noc(C)n2)CCCCC1 ZINC001168183050 1383837019 /nfs/dbraw/zinc/83/70/19/1383837019.db2.gz VFUKGNWIGNUPSY-AWEZNQCLSA-N 1 2 334.464 3.062 20 30 EGEDLO COc1ccc(CN2CCc3c2nc[nH+]c3NCC(C)(C)S)cc1 ZINC001170302289 1384286023 /nfs/dbraw/zinc/28/60/23/1384286023.db2.gz DGJWXSZPZUYAKW-UHFFFAOYSA-N 1 2 344.484 3.168 20 30 EGEDLO COC(=O)c1ccc(C(=[NH2+])Nc2ccc3[nH]c(C4CC4)cc3n2)cc1 ZINC001170987591 1384424782 /nfs/dbraw/zinc/42/47/82/1384424782.db2.gz AWTKYKMFNPYKDS-UHFFFAOYSA-N 1 2 334.379 3.264 20 30 EGEDLO C=CCOC(=O)N1CC[NH+]([C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171057361 1384438704 /nfs/dbraw/zinc/43/87/04/1384438704.db2.gz YKQXAAGWPBNWSY-HNNXBMFYSA-N 1 2 334.847 3.138 20 30 EGEDLO CCOCc1cnc2n1CC[N@H+]([C@H](C)Cc1cccc(C#N)c1)[C@@H]2C ZINC001171211597 1384469926 /nfs/dbraw/zinc/46/99/26/1384469926.db2.gz FNMBFBCPIWLUSU-HZPDHXFCSA-N 1 2 338.455 3.299 20 30 EGEDLO CCOCc1cnc2n1CC[N@@H+]([C@H](C)Cc1cccc(C#N)c1)[C@@H]2C ZINC001171211597 1384469931 /nfs/dbraw/zinc/46/99/31/1384469931.db2.gz FNMBFBCPIWLUSU-HZPDHXFCSA-N 1 2 338.455 3.299 20 30 EGEDLO CCC(CC)CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001316609812 1384479717 /nfs/dbraw/zinc/47/97/17/1384479717.db2.gz YFQDURWAROGJEE-HNNXBMFYSA-N 1 2 333.501 3.479 20 30 EGEDLO CCC(CC)CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001316609812 1384479719 /nfs/dbraw/zinc/47/97/19/1384479719.db2.gz YFQDURWAROGJEE-HNNXBMFYSA-N 1 2 333.501 3.479 20 30 EGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172294940 1384762251 /nfs/dbraw/zinc/76/22/51/1384762251.db2.gz NZOJBOKUQLMHRD-OXJNMPFZSA-N 1 2 336.435 3.253 20 30 EGEDLO N#CC1([NH2+][C@@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)CCC1 ZINC001172513312 1384807599 /nfs/dbraw/zinc/80/75/99/1384807599.db2.gz YURQFGNXPHODHG-GBESFXJTSA-N 1 2 337.467 3.353 20 30 EGEDLO CC[C@H](C#N)[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172520981 1384808287 /nfs/dbraw/zinc/80/82/87/1384808287.db2.gz SHKANBPAEMPZFL-INDMIFKZSA-N 1 2 325.456 3.209 20 30 EGEDLO COC(=O)[C@H]1CCC[C@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)C1 ZINC001172584902 1384814957 /nfs/dbraw/zinc/81/49/57/1384814957.db2.gz BTTQPXCLJXNMBM-YUMQZZPRSA-N 1 2 339.251 3.141 20 30 EGEDLO O=C1C=C2C[N@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC[C@@H]2S1 ZINC001172902780 1384875037 /nfs/dbraw/zinc/87/50/37/1384875037.db2.gz CNOROZTXMLSWJT-RDJZCZTQSA-N 1 2 344.436 3.116 20 30 EGEDLO O=C1C=C2C[N@@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC[C@@H]2S1 ZINC001172902780 1384875039 /nfs/dbraw/zinc/87/50/39/1384875039.db2.gz CNOROZTXMLSWJT-RDJZCZTQSA-N 1 2 344.436 3.116 20 30 EGEDLO N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCCCC(F)(F)C3)CC2)cc1 ZINC001173429358 1384969530 /nfs/dbraw/zinc/96/95/30/1384969530.db2.gz VNRBXLFPVHEXRB-UHFFFAOYSA-N 1 2 347.409 3.284 20 30 EGEDLO N#Cc1ccc(C(=O)N2CCC([N@H+]3CCCCC(F)(F)C3)CC2)cc1 ZINC001173429358 1384969533 /nfs/dbraw/zinc/96/95/33/1384969533.db2.gz VNRBXLFPVHEXRB-UHFFFAOYSA-N 1 2 347.409 3.284 20 30 EGEDLO C#Cc1cc(Nc2ccc(C(=O)NCc3ccccc3)cc2)cc[nH+]1 ZINC001174073567 1385055472 /nfs/dbraw/zinc/05/54/72/1385055472.db2.gz JMYCWJGUMCXVMT-UHFFFAOYSA-N 1 2 327.387 3.158 20 30 EGEDLO Cc1cccc(C#N)c1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001174434852 1385108569 /nfs/dbraw/zinc/10/85/69/1385108569.db2.gz SNURBYMEDIIHNM-UHFFFAOYSA-N 1 2 337.423 3.321 20 30 EGEDLO C[N@H+](CCNC(=O)C1(C)CCCCC1)Cc1ccc(C#N)cc1F ZINC001317458811 1385156381 /nfs/dbraw/zinc/15/63/81/1385156381.db2.gz GYQFWJJJKKSKGP-UHFFFAOYSA-N 1 2 331.435 3.216 20 30 EGEDLO C[N@@H+](CCNC(=O)C1(C)CCCCC1)Cc1ccc(C#N)cc1F ZINC001317458811 1385156383 /nfs/dbraw/zinc/15/63/83/1385156383.db2.gz GYQFWJJJKKSKGP-UHFFFAOYSA-N 1 2 331.435 3.216 20 30 EGEDLO N#Cc1ccccc1C[NH2+][C@H](CNC(=O)c1ccco1)c1ccccc1 ZINC001317714309 1385415597 /nfs/dbraw/zinc/41/55/97/1385415597.db2.gz OYYUFHOLNGILDS-LJQANCHMSA-N 1 2 345.402 3.412 20 30 EGEDLO C[C@@H](C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)n1cc[nH+]c1 ZINC001318012813 1385607811 /nfs/dbraw/zinc/60/78/11/1385607811.db2.gz LHISZEIHNRDQRH-ZDUSSCGKSA-N 1 2 333.351 3.142 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2OCC[N@@H+](CC=C(C)C)[C@H]2C1 ZINC001177020414 1385775624 /nfs/dbraw/zinc/77/56/24/1385775624.db2.gz ZDLDIUQOJAOLLK-RBUKOAKNSA-N 1 2 332.488 3.023 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2OCC[N@H+](CC=C(C)C)[C@H]2C1 ZINC001177020414 1385775627 /nfs/dbraw/zinc/77/56/27/1385775627.db2.gz ZDLDIUQOJAOLLK-RBUKOAKNSA-N 1 2 332.488 3.023 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]2OCC[N@@H+](CC=C(C)C)[C@@H]2C1 ZINC001177020412 1385775830 /nfs/dbraw/zinc/77/58/30/1385775830.db2.gz ZDLDIUQOJAOLLK-MOPGFXCFSA-N 1 2 332.488 3.023 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]2OCC[N@H+](CC=C(C)C)[C@@H]2C1 ZINC001177020412 1385775832 /nfs/dbraw/zinc/77/58/32/1385775832.db2.gz ZDLDIUQOJAOLLK-MOPGFXCFSA-N 1 2 332.488 3.023 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCCC(C)(C)C)C[C@H]21 ZINC001177030881 1385778941 /nfs/dbraw/zinc/77/89/41/1385778941.db2.gz QPRPAYWADLGWAU-QZTJIDSGSA-N 1 2 336.520 3.471 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCCCC(C)(C)C)C[C@H]21 ZINC001177030881 1385778945 /nfs/dbraw/zinc/77/89/45/1385778945.db2.gz QPRPAYWADLGWAU-QZTJIDSGSA-N 1 2 336.520 3.471 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCCCC(C)(C)C)C[C@@H]21 ZINC001177030882 1385778956 /nfs/dbraw/zinc/77/89/56/1385778956.db2.gz QPRPAYWADLGWAU-ROUUACIJSA-N 1 2 336.520 3.471 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCCCC(C)(C)C)C[C@@H]21 ZINC001177030882 1385778958 /nfs/dbraw/zinc/77/89/58/1385778958.db2.gz QPRPAYWADLGWAU-ROUUACIJSA-N 1 2 336.520 3.471 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2OCC[N@H+](CC3=CCCCC3)[C@@H]2C1 ZINC001177107419 1385815683 /nfs/dbraw/zinc/81/56/83/1385815683.db2.gz RJQJGXWIFHAHRB-RTBURBONSA-N 1 2 346.515 3.391 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2OCC[N@@H+](CC3=CCCCC3)[C@@H]2C1 ZINC001177107419 1385815688 /nfs/dbraw/zinc/81/56/88/1385815688.db2.gz RJQJGXWIFHAHRB-RTBURBONSA-N 1 2 346.515 3.391 20 30 EGEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCCCCCCC)C[C@H]21 ZINC001177140282 1385830172 /nfs/dbraw/zinc/83/01/72/1385830172.db2.gz XWYDDJBPPOTHSZ-MOPGFXCFSA-N 1 2 334.504 3.062 20 30 EGEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCCCCCCC)C[C@H]21 ZINC001177140282 1385830176 /nfs/dbraw/zinc/83/01/76/1385830176.db2.gz XWYDDJBPPOTHSZ-MOPGFXCFSA-N 1 2 334.504 3.062 20 30 EGEDLO N#Cc1cccc(C2(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC001319404911 1386106160 /nfs/dbraw/zinc/10/61/60/1386106160.db2.gz ZVCHNPAGCRJMJR-UHFFFAOYSA-N 1 2 342.402 3.092 20 30 EGEDLO C[C@H](C(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N)C1CCCC1 ZINC001320067740 1386488435 /nfs/dbraw/zinc/48/84/35/1386488435.db2.gz DFFYWDRLKQVDBC-INIZCTEOSA-N 1 2 327.472 3.275 20 30 EGEDLO C[C@H](C(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N)C1CCCC1 ZINC001320067740 1386488438 /nfs/dbraw/zinc/48/84/38/1386488438.db2.gz DFFYWDRLKQVDBC-INIZCTEOSA-N 1 2 327.472 3.275 20 30 EGEDLO CCOC(=O)C[N@H+](CCc1ccccc1)Cc1ccc(C#N)c(C)c1 ZINC001180293018 1386757580 /nfs/dbraw/zinc/75/75/80/1386757580.db2.gz UQSCMXWTSJEKAC-UHFFFAOYSA-N 1 2 336.435 3.475 20 30 EGEDLO CCOC(=O)C[N@@H+](CCc1ccccc1)Cc1ccc(C#N)c(C)c1 ZINC001180293018 1386757586 /nfs/dbraw/zinc/75/75/86/1386757586.db2.gz UQSCMXWTSJEKAC-UHFFFAOYSA-N 1 2 336.435 3.475 20 30 EGEDLO N#CC1(CC(=O)N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)CCCCC1 ZINC001181362913 1386982505 /nfs/dbraw/zinc/98/25/05/1386982505.db2.gz OEVSQLNARWESGS-OAHLLOKOSA-N 1 2 339.430 3.183 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nc(C(C)C)no2)C1 ZINC001182892933 1387240414 /nfs/dbraw/zinc/24/04/14/1387240414.db2.gz ADSZKYJJZDFWTP-UONOGXRCSA-N 1 2 334.464 3.047 20 30 EGEDLO COC(=O)[C@H](C)Oc1ccccc1C[N@H+](CCC#N)CC(C)(C)C ZINC001336685379 1389134864 /nfs/dbraw/zinc/13/48/64/1389134864.db2.gz FGLVYJLPWPWLSI-HNNXBMFYSA-N 1 2 332.444 3.389 20 30 EGEDLO COC(=O)[C@H](C)Oc1ccccc1C[N@@H+](CCC#N)CC(C)(C)C ZINC001336685379 1389134867 /nfs/dbraw/zinc/13/48/67/1389134867.db2.gz FGLVYJLPWPWLSI-HNNXBMFYSA-N 1 2 332.444 3.389 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001338749723 1389751787 /nfs/dbraw/zinc/75/17/87/1389751787.db2.gz SMUKNOVGTRWCKI-HZPDHXFCSA-N 1 2 331.508 3.493 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001338749723 1389751788 /nfs/dbraw/zinc/75/17/88/1389751788.db2.gz SMUKNOVGTRWCKI-HZPDHXFCSA-N 1 2 331.508 3.493 20 30 EGEDLO Cc1cc(N2CCN(c3ccc(C#N)nc3)CC2)[nH+]c2ccccc12 ZINC001332305450 1390082050 /nfs/dbraw/zinc/08/20/50/1390082050.db2.gz IAHYQPRPKSXVCY-UHFFFAOYSA-N 1 2 329.407 3.137 20 30 EGEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCCC[C@H]1CC(C)C ZINC001340594956 1390324162 /nfs/dbraw/zinc/32/41/62/1390324162.db2.gz WJICHOZJYHXCIL-INIZCTEOSA-N 1 2 342.491 3.193 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1C[C@@H](CC)O[C@H](CC)C1 ZINC001341901980 1390547178 /nfs/dbraw/zinc/54/71/78/1390547178.db2.gz GQFMZGFHXVMZHN-ZACQAIPSSA-N 1 2 347.507 3.015 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1C[C@@H](CC)O[C@H](CC)C1 ZINC001341901980 1390547180 /nfs/dbraw/zinc/54/71/80/1390547180.db2.gz GQFMZGFHXVMZHN-ZACQAIPSSA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](OC(C)C)C1 ZINC001342070872 1390567640 /nfs/dbraw/zinc/56/76/40/1390567640.db2.gz JBQUIQNBSLIGAU-DLBZAZTESA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](OC(C)C)C1 ZINC001342070872 1390567642 /nfs/dbraw/zinc/56/76/42/1390567642.db2.gz JBQUIQNBSLIGAU-DLBZAZTESA-N 1 2 347.507 3.015 20 30 EGEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1Nc1cnn(C2CCC2)c1 ZINC001342100398 1390571632 /nfs/dbraw/zinc/57/16/32/1390571632.db2.gz RAGGKRMJOGKYOC-UHFFFAOYSA-N 1 2 341.463 3.115 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(CCOC)CC(C)C ZINC001342328195 1390601396 /nfs/dbraw/zinc/60/13/96/1390601396.db2.gz INTXGDKCOCXTLM-KRWDZBQOSA-N 1 2 349.523 3.120 20 30 EGEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N(CCOC)CC(C)C ZINC001342328195 1390601399 /nfs/dbraw/zinc/60/13/99/1390601399.db2.gz INTXGDKCOCXTLM-KRWDZBQOSA-N 1 2 349.523 3.120 20 30 EGEDLO CC[C@H](C)CN(CC)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC ZINC001342685265 1390641237 /nfs/dbraw/zinc/64/12/37/1390641237.db2.gz HWLHDDKTFBWQME-INIZCTEOSA-N 1 2 346.523 3.263 20 30 EGEDLO C[N@H+](CC(=O)O[C@@H](C#N)Cc1ccc(F)cc1F)Cc1ccccc1 ZINC001343349583 1390708746 /nfs/dbraw/zinc/70/87/46/1390708746.db2.gz GTBNRVFLPKFLPV-QGZVFWFLSA-N 1 2 344.361 3.075 20 30 EGEDLO C[N@@H+](CC(=O)O[C@@H](C#N)Cc1ccc(F)cc1F)Cc1ccccc1 ZINC001343349583 1390708748 /nfs/dbraw/zinc/70/87/48/1390708748.db2.gz GTBNRVFLPKFLPV-QGZVFWFLSA-N 1 2 344.361 3.075 20 30 EGEDLO CCOC(=O)c1ccc(N[NH+]=Cc2cccnc2N(C)C)cc1C ZINC001343615645 1390726560 /nfs/dbraw/zinc/72/65/60/1390726560.db2.gz XUVNWWQOIRVVER-UHFFFAOYSA-N 1 2 326.400 3.079 20 30 EGEDLO CCCCC(=O)N1CCC2(C[NH+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001698807299 1406490407 /nfs/dbraw/zinc/49/04/07/1406490407.db2.gz PKMWLCYHGVAGDV-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](NC(=O)CCC3CCC3)C2)c1 ZINC001479901394 1392469793 /nfs/dbraw/zinc/46/97/93/1392469793.db2.gz IUHKWYNSMVGMLG-GOSISDBHSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](NC(=O)CCC3CCC3)C2)c1 ZINC001479901394 1392469794 /nfs/dbraw/zinc/46/97/94/1392469794.db2.gz IUHKWYNSMVGMLG-GOSISDBHSA-N 1 2 343.446 3.358 20 30 EGEDLO Cc1cc(C)c(C(=O)NCC[N@H+](Cc2ccccc2C#N)C2CC2)o1 ZINC001481164511 1393139560 /nfs/dbraw/zinc/13/95/60/1393139560.db2.gz JFLKYXYSTPAAGZ-UHFFFAOYSA-N 1 2 337.423 3.163 20 30 EGEDLO Cc1cc(C)c(C(=O)NCC[N@@H+](Cc2ccccc2C#N)C2CC2)o1 ZINC001481164511 1393139561 /nfs/dbraw/zinc/13/95/61/1393139561.db2.gz JFLKYXYSTPAAGZ-UHFFFAOYSA-N 1 2 337.423 3.163 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCc2ccc(F)cc2F)C1 ZINC001490454539 1394232480 /nfs/dbraw/zinc/23/24/80/1394232480.db2.gz MUYDRAAPNRFZGU-OAHLLOKOSA-N 1 2 342.817 3.231 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCc2ccc(F)cc2F)C1 ZINC001490454539 1394232485 /nfs/dbraw/zinc/23/24/85/1394232485.db2.gz MUYDRAAPNRFZGU-OAHLLOKOSA-N 1 2 342.817 3.231 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)Cc2cc(C)ccc2F)C1 ZINC001481776647 1394521893 /nfs/dbraw/zinc/52/18/93/1394521893.db2.gz AWJSVKIYIANYNB-MRXNPFEDSA-N 1 2 338.854 3.352 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)Cc2cc(C)ccc2F)C1 ZINC001481776647 1394521898 /nfs/dbraw/zinc/52/18/98/1394521898.db2.gz AWJSVKIYIANYNB-MRXNPFEDSA-N 1 2 338.854 3.352 20 30 EGEDLO Cc1ccc(F)cc1C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001492358120 1396320832 /nfs/dbraw/zinc/32/08/32/1396320832.db2.gz OCGVPMXCRDQXAJ-UHFFFAOYSA-N 1 2 343.377 3.007 20 30 EGEDLO Cc1ccc(F)cc1C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001492358120 1396320833 /nfs/dbraw/zinc/32/08/33/1396320833.db2.gz OCGVPMXCRDQXAJ-UHFFFAOYSA-N 1 2 343.377 3.007 20 30 EGEDLO C[C@@H](C(=O)N(C)CC[N@H+](C)Cc1cc(C#N)ccc1F)C1CCC1 ZINC001496726928 1396724338 /nfs/dbraw/zinc/72/43/38/1396724338.db2.gz XLYMRTJEVIWVPQ-CQSZACIVSA-N 1 2 331.435 3.024 20 30 EGEDLO C[C@@H](C(=O)N(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F)C1CCC1 ZINC001496726928 1396724343 /nfs/dbraw/zinc/72/43/43/1396724343.db2.gz XLYMRTJEVIWVPQ-CQSZACIVSA-N 1 2 331.435 3.024 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1[nH]nc2ccccc21 ZINC001689911641 1404204775 /nfs/dbraw/zinc/20/47/75/1404204775.db2.gz JJJKYJJRINCIAA-CZUORRHYSA-N 1 2 346.862 3.288 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H](OC)c1ccccc1 ZINC001690457329 1404585633 /nfs/dbraw/zinc/58/56/33/1404585633.db2.gz LCIWGMJIFORGRK-DLBZAZTESA-N 1 2 336.863 3.097 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](OC)c1ccccc1 ZINC001690457329 1404585638 /nfs/dbraw/zinc/58/56/38/1404585638.db2.gz LCIWGMJIFORGRK-DLBZAZTESA-N 1 2 336.863 3.097 20 30 EGEDLO CCC(CC)[C@@H](C)C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001690955374 1404864425 /nfs/dbraw/zinc/86/44/25/1404864425.db2.gz RYBMFNMLAMVZSP-CQSZACIVSA-N 1 2 333.451 3.318 20 30 EGEDLO CCC(CC)[C@@H](C)C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001690955374 1404864433 /nfs/dbraw/zinc/86/44/33/1404864433.db2.gz RYBMFNMLAMVZSP-CQSZACIVSA-N 1 2 333.451 3.318 20 30 EGEDLO N#Cc1ccccc1C[NH2+][C@@H](CNC(=O)CC1CC1)c1ccccc1 ZINC001691772889 1405483923 /nfs/dbraw/zinc/48/39/23/1405483923.db2.gz RIVYLBSPMAGFAB-FQEVSTJZSA-N 1 2 333.435 3.305 20 30 EGEDLO CCCC[C@](C)(F)C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001692315389 1405933716 /nfs/dbraw/zinc/93/37/16/1405933716.db2.gz RPFKKNOYIYHXIR-IBGZPJMESA-N 1 2 331.435 3.025 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2occ3c2CCC3)C1 ZINC001732039178 1428264416 /nfs/dbraw/zinc/26/44/16/1428264416.db2.gz PPDCOVVZVKZALH-HNNXBMFYSA-N 1 2 336.863 3.447 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2occ3c2CCC3)C1 ZINC001732039178 1428264418 /nfs/dbraw/zinc/26/44/18/1428264418.db2.gz PPDCOVVZVKZALH-HNNXBMFYSA-N 1 2 336.863 3.447 20 30 EGEDLO C=C(Cl)C[N@H+](C)CC1CCN(C(=O)c2cccc3[nH]cnc32)CC1 ZINC001732088455 1428351861 /nfs/dbraw/zinc/35/18/61/1428351861.db2.gz LZQXPLCLYKDXMD-UHFFFAOYSA-N 1 2 346.862 3.099 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)c2cccc3[nH]cnc32)CC1 ZINC001732088455 1428351864 /nfs/dbraw/zinc/35/18/64/1428351864.db2.gz LZQXPLCLYKDXMD-UHFFFAOYSA-N 1 2 346.862 3.099 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cnc2ccccc2c1C ZINC001699455362 1412799519 /nfs/dbraw/zinc/79/95/19/1412799519.db2.gz NUCDIIOLSWZGJG-ZDUSSCGKSA-N 1 2 331.847 3.346 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cnc2ccccc2c1C ZINC001699455362 1412799522 /nfs/dbraw/zinc/79/95/22/1412799522.db2.gz NUCDIIOLSWZGJG-ZDUSSCGKSA-N 1 2 331.847 3.346 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cn(C)c2ccc(F)cc12 ZINC001700461504 1414061817 /nfs/dbraw/zinc/06/18/17/1414061817.db2.gz QDXNNHJPHDQWMX-LBPRGKRZSA-N 1 2 337.826 3.120 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cn(C)c2ccc(F)cc12 ZINC001700461504 1414061821 /nfs/dbraw/zinc/06/18/21/1414061821.db2.gz QDXNNHJPHDQWMX-LBPRGKRZSA-N 1 2 337.826 3.120 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C1(c2cccc(F)c2)CCC1 ZINC001700471776 1414090291 /nfs/dbraw/zinc/09/02/91/1414090291.db2.gz XLMHNUMYGVXMOG-AWEZNQCLSA-N 1 2 338.854 3.436 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C1(c2cccc(F)c2)CCC1 ZINC001700471776 1414090295 /nfs/dbraw/zinc/09/02/95/1414090295.db2.gz XLMHNUMYGVXMOG-AWEZNQCLSA-N 1 2 338.854 3.436 20 30 EGEDLO Cc1ccccc1CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccccc1C#N ZINC001707049476 1417162188 /nfs/dbraw/zinc/16/21/88/1417162188.db2.gz AALXYVSTDDXDHN-OAQYLSRUSA-N 1 2 347.462 3.142 20 30 EGEDLO Cc1ccccc1CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccccc1C#N ZINC001707049476 1417162190 /nfs/dbraw/zinc/16/21/90/1417162190.db2.gz AALXYVSTDDXDHN-OAQYLSRUSA-N 1 2 347.462 3.142 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C1(Cc2ccccc2F)CC1 ZINC001713494402 1418197448 /nfs/dbraw/zinc/19/74/48/1418197448.db2.gz UUJLUCUZDBRFPM-UHFFFAOYSA-N 1 2 338.854 3.339 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C1(Cc2ccccc2F)CC1 ZINC001713494402 1418197450 /nfs/dbraw/zinc/19/74/50/1418197450.db2.gz UUJLUCUZDBRFPM-UHFFFAOYSA-N 1 2 338.854 3.339 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2c[nH]c3ncccc23)C1 ZINC001713722977 1418499184 /nfs/dbraw/zinc/49/91/84/1418499184.db2.gz YIDLGRTTWSRQST-CQSZACIVSA-N 1 2 346.862 3.242 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2c[nH]c3ncccc23)C1 ZINC001713722977 1418499190 /nfs/dbraw/zinc/49/91/90/1418499190.db2.gz YIDLGRTTWSRQST-CQSZACIVSA-N 1 2 346.862 3.242 20 30 EGEDLO CC[C@H](F)C(=O)N[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001713786807 1418603975 /nfs/dbraw/zinc/60/39/75/1418603975.db2.gz XJMOPDPCBRDMEF-SJORKVTESA-N 1 2 336.838 3.020 20 30 EGEDLO CC[C@H](F)C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001713786807 1418603978 /nfs/dbraw/zinc/60/39/78/1418603978.db2.gz XJMOPDPCBRDMEF-SJORKVTESA-N 1 2 336.838 3.020 20 30 EGEDLO C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)c2nocc2C)CC1 ZINC001713857978 1418654948 /nfs/dbraw/zinc/65/49/48/1418654948.db2.gz IZCWITOTMUKNSG-UHFFFAOYSA-N 1 2 325.840 3.052 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCCc2sccc2C)C1 ZINC001713923538 1418716629 /nfs/dbraw/zinc/71/66/29/1418716629.db2.gz NTAOMEGQLAFGQP-UHFFFAOYSA-N 1 2 326.893 3.180 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CCc1ccc(Cl)cc1 ZINC001714585678 1419328281 /nfs/dbraw/zinc/32/82/81/1419328281.db2.gz DGLACDCIPSEGMT-UHFFFAOYSA-N 1 2 329.271 3.463 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CCc1ccc(Cl)cc1 ZINC001714585678 1419328282 /nfs/dbraw/zinc/32/82/82/1419328282.db2.gz DGLACDCIPSEGMT-UHFFFAOYSA-N 1 2 329.271 3.463 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnc2ccccc2c1C ZINC001714589471 1419335447 /nfs/dbraw/zinc/33/54/47/1419335447.db2.gz PUDXXVQMGMEEHM-UHFFFAOYSA-N 1 2 331.847 3.347 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnc2ccccc2c1C ZINC001714589471 1419335455 /nfs/dbraw/zinc/33/54/55/1419335455.db2.gz PUDXXVQMGMEEHM-UHFFFAOYSA-N 1 2 331.847 3.347 20 30 EGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)Cc2cccc3ccccc32)C1 ZINC001714975258 1419709580 /nfs/dbraw/zinc/70/95/80/1419709580.db2.gz BTEXSLVACFXMKK-UHFFFAOYSA-N 1 2 328.843 3.183 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccc(OCC(C)C)cc1 ZINC001716001950 1420455729 /nfs/dbraw/zinc/45/57/29/1420455729.db2.gz FFYROJPKSPVEOL-UHFFFAOYSA-N 1 2 338.879 3.478 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccc(OCC(C)C)cc1 ZINC001716001950 1420455731 /nfs/dbraw/zinc/45/57/31/1420455731.db2.gz FFYROJPKSPVEOL-UHFFFAOYSA-N 1 2 338.879 3.478 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)CCC2CC2)C[C@H]1C ZINC001724987832 1425387469 /nfs/dbraw/zinc/38/74/69/1425387469.db2.gz CLHDNXJNWNWSLT-TZMCWYRMSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)CCC2CC2)C[C@H]1C ZINC001724987832 1425387478 /nfs/dbraw/zinc/38/74/78/1425387478.db2.gz CLHDNXJNWNWSLT-TZMCWYRMSA-N 1 2 329.282 3.054 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccc2ccccc2n1)C1CC1 ZINC001731884008 1428156535 /nfs/dbraw/zinc/15/65/35/1428156535.db2.gz DOFNHYRPRKLREJ-UHFFFAOYSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccc2ccccc2n1)C1CC1 ZINC001731884008 1428156536 /nfs/dbraw/zinc/15/65/36/1428156536.db2.gz DOFNHYRPRKLREJ-UHFFFAOYSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2c(C)oc3ccccc32)C1 ZINC001734131730 1437907677 /nfs/dbraw/zinc/90/76/77/1437907677.db2.gz UTKBAZIMSHCFJH-ZDUSSCGKSA-N 1 2 346.858 3.473 20 30 EGEDLO C=CCC(C)(C)C(=O)NC[C@H](C)[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC001752906302 1440244247 /nfs/dbraw/zinc/24/42/47/1440244247.db2.gz JWOFVWQNPVEJHC-QWHCGFSZSA-N 1 2 336.480 3.125 20 30 EGEDLO C=CCC1(C(=O)NCCC[C@H]2CCC[N@@H+]2Cc2cnsn2)CCC1 ZINC001753033781 1440273832 /nfs/dbraw/zinc/27/38/32/1440273832.db2.gz SNGNNKGWQBEUAZ-INIZCTEOSA-N 1 2 348.516 3.145 20 30 EGEDLO C=CCC1(C(=O)NCCC[C@H]2CCC[N@H+]2Cc2cnsn2)CCC1 ZINC001753033781 1440273833 /nfs/dbraw/zinc/27/38/33/1440273833.db2.gz SNGNNKGWQBEUAZ-INIZCTEOSA-N 1 2 348.516 3.145 20 30 EGEDLO C=CC(C)(C)C(=O)NCC[N@@H+](C)Cc1cc(-c2cccs2)on1 ZINC001753059386 1440282795 /nfs/dbraw/zinc/28/27/95/1440282795.db2.gz GPBXTRHSOQQQOB-UHFFFAOYSA-N 1 2 333.457 3.163 20 30 EGEDLO C=CC(C)(C)C(=O)NCC[N@H+](C)Cc1cc(-c2cccs2)on1 ZINC001753059386 1440282796 /nfs/dbraw/zinc/28/27/96/1440282796.db2.gz GPBXTRHSOQQQOB-UHFFFAOYSA-N 1 2 333.457 3.163 20 30 EGEDLO CCc1ccccc1C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001753061962 1440283910 /nfs/dbraw/zinc/28/39/10/1440283910.db2.gz ZOBNYGPYBKDJPT-UHFFFAOYSA-N 1 2 339.414 3.122 20 30 EGEDLO CCc1ccccc1C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001753061962 1440283911 /nfs/dbraw/zinc/28/39/11/1440283911.db2.gz ZOBNYGPYBKDJPT-UHFFFAOYSA-N 1 2 339.414 3.122 20 30 EGEDLO C=C1CC(C)(C(=O)NCC[N@@H+](C)Cc2coc(-c3ccccc3)n2)C1 ZINC001753063803 1440284570 /nfs/dbraw/zinc/28/45/70/1440284570.db2.gz DFKVNFBDHXCVRE-UHFFFAOYSA-N 1 2 339.439 3.246 20 30 EGEDLO C=C1CC(C)(C(=O)NCC[N@H+](C)Cc2coc(-c3ccccc3)n2)C1 ZINC001753063803 1440284571 /nfs/dbraw/zinc/28/45/71/1440284571.db2.gz DFKVNFBDHXCVRE-UHFFFAOYSA-N 1 2 339.439 3.246 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)CC[C@@H](C)CC ZINC001753113028 1440309581 /nfs/dbraw/zinc/30/95/81/1440309581.db2.gz GDXGIDSRMBCTGS-JSGCOSHPSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)CC[C@@H](C)CC ZINC001753113028 1440309582 /nfs/dbraw/zinc/30/95/82/1440309582.db2.gz GDXGIDSRMBCTGS-JSGCOSHPSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1nocc1C)c1ccccc1 ZINC001753114168 1440310451 /nfs/dbraw/zinc/31/04/51/1440310451.db2.gz CXVZNLWGDZMMDY-QZTJIDSGSA-N 1 2 339.439 3.033 20 30 EGEDLO C=C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1nocc1C)c1ccccc1 ZINC001753114168 1440310452 /nfs/dbraw/zinc/31/04/52/1440310452.db2.gz CXVZNLWGDZMMDY-QZTJIDSGSA-N 1 2 339.439 3.033 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1nccc2ccccc21)C1CC1 ZINC001753160376 1440333429 /nfs/dbraw/zinc/33/34/29/1440333429.db2.gz XXQSPFSJUWCKQX-UHFFFAOYSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1nccc2ccccc21)C1CC1 ZINC001753160376 1440333430 /nfs/dbraw/zinc/33/34/30/1440333430.db2.gz XXQSPFSJUWCKQX-UHFFFAOYSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C[C@@H](C(=O)NCC[N@@H+](Cc1conc1C)C1CC1)c1ccccc1 ZINC001753165003 1440335642 /nfs/dbraw/zinc/33/56/42/1440335642.db2.gz KYGQWPWSURKJQR-LJQANCHMSA-N 1 2 339.439 3.033 20 30 EGEDLO C=C[C@@H](C(=O)NCC[N@H+](Cc1conc1C)C1CC1)c1ccccc1 ZINC001753165003 1440335643 /nfs/dbraw/zinc/33/56/43/1440335643.db2.gz KYGQWPWSURKJQR-LJQANCHMSA-N 1 2 339.439 3.033 20 30 EGEDLO C#CCCCCC(=O)N(CCC)[C@@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001753316217 1440359683 /nfs/dbraw/zinc/35/96/83/1440359683.db2.gz NQVUHUITDLBQPJ-QGZVFWFLSA-N 1 2 347.528 3.458 20 30 EGEDLO C#CCCCCC(=O)N(CCC)[C@@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001753316217 1440359684 /nfs/dbraw/zinc/35/96/84/1440359684.db2.gz NQVUHUITDLBQPJ-QGZVFWFLSA-N 1 2 347.528 3.458 20 30 EGEDLO CC#CCCCC(=O)NC1C[NH+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC001753384702 1440388259 /nfs/dbraw/zinc/38/82/59/1440388259.db2.gz WZRMFWWEOOZTQU-UHFFFAOYSA-N 1 2 326.484 3.478 20 30 EGEDLO O=C(CC#Cc1ccccc1)NC1C[NH+](Cc2ccc(C3CC3)cc2)C1 ZINC001753395632 1440390211 /nfs/dbraw/zinc/39/02/11/1440390211.db2.gz PKKLMKSLZCWMOG-UHFFFAOYSA-N 1 2 344.458 3.306 20 30 EGEDLO CCCC[C@@H](C)C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001753401422 1440390944 /nfs/dbraw/zinc/39/09/44/1440390944.db2.gz DWVDHJRQSDXGJX-CQSZACIVSA-N 1 2 331.435 3.072 20 30 EGEDLO C[C@H]1CCC[C@H]1CC(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001753403066 1440391380 /nfs/dbraw/zinc/39/13/80/1440391380.db2.gz LKOPDBORKDNZIJ-YOEHRIQHSA-N 1 2 343.446 3.072 20 30 EGEDLO CC[C@H](CC(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1)C(C)C ZINC001753413611 1440393805 /nfs/dbraw/zinc/39/38/05/1440393805.db2.gz JGEYMQYNBLPTOP-QGZVFWFLSA-N 1 2 345.462 3.318 20 30 EGEDLO CC#CCCCC(=O)N(C)[C@H]1CC[N@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC001753441382 1440401708 /nfs/dbraw/zinc/40/17/08/1440401708.db2.gz IHYGZFDOAMNJLC-INIZCTEOSA-N 1 2 345.487 3.198 20 30 EGEDLO CC#CCCCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC001753441382 1440401709 /nfs/dbraw/zinc/40/17/09/1440401709.db2.gz IHYGZFDOAMNJLC-INIZCTEOSA-N 1 2 345.487 3.198 20 30 EGEDLO C=CCC1(C(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)c2nc(C)no2)CCCC1 ZINC001753730600 1440475615 /nfs/dbraw/zinc/47/56/15/1440475615.db2.gz BBYXIPXOCATMCB-KBPBESRZSA-N 1 2 334.464 3.012 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1[nH]ccc1-c1ccccc1 ZINC001753874932 1440518869 /nfs/dbraw/zinc/51/88/69/1440518869.db2.gz NYLDRQJPJBWXDJ-UHFFFAOYSA-N 1 2 331.847 3.438 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1[nH]ccc1-c1ccccc1 ZINC001753874932 1440518870 /nfs/dbraw/zinc/51/88/70/1440518870.db2.gz NYLDRQJPJBWXDJ-UHFFFAOYSA-N 1 2 331.847 3.438 20 30 EGEDLO C#CCC1(C(=O)N(CC)CC[NH2+][C@H](C)c2csnn2)CCCCC1 ZINC001754083926 1440539710 /nfs/dbraw/zinc/53/97/10/1440539710.db2.gz UUDRJBJUSUYDMA-OAHLLOKOSA-N 1 2 348.516 3.011 20 30 EGEDLO CC(C)C#CC(=O)NC[C@@H]1CC[N@@H+]1Cc1c(Cl)oc2ccccc21 ZINC001754483459 1440608142 /nfs/dbraw/zinc/60/81/42/1440608142.db2.gz IWUGSCUNWVRYOP-AWEZNQCLSA-N 1 2 344.842 3.436 20 30 EGEDLO CC(C)C#CC(=O)NC[C@@H]1CC[N@H+]1Cc1c(Cl)oc2ccccc21 ZINC001754483459 1440608143 /nfs/dbraw/zinc/60/81/43/1440608143.db2.gz IWUGSCUNWVRYOP-AWEZNQCLSA-N 1 2 344.842 3.436 20 30 EGEDLO CC(C)=C(C)CC(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001754490461 1440610035 /nfs/dbraw/zinc/61/00/35/1440610035.db2.gz QBGSREOPUKHELN-IBGZPJMESA-N 1 2 328.431 3.114 20 30 EGEDLO CC(C)=C(C)CC(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001754490461 1440610036 /nfs/dbraw/zinc/61/00/36/1440610036.db2.gz QBGSREOPUKHELN-IBGZPJMESA-N 1 2 328.431 3.114 20 30 EGEDLO C=CC1(CC(=O)NC[C@@H]2CC[N@H+]2[C@H](C)c2cnccn2)CCCCC1 ZINC001754497198 1440612680 /nfs/dbraw/zinc/61/26/80/1440612680.db2.gz KQGSAODAQTZGHY-SJORKVTESA-N 1 2 342.487 3.255 20 30 EGEDLO C=CC1(CC(=O)NC[C@@H]2CC[N@@H+]2[C@H](C)c2cnccn2)CCCCC1 ZINC001754497198 1440612681 /nfs/dbraw/zinc/61/26/81/1440612681.db2.gz KQGSAODAQTZGHY-SJORKVTESA-N 1 2 342.487 3.255 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)NC[C@H]1CC[N@@H+]1Cc1cc(C)ccc1F ZINC001754500962 1440614263 /nfs/dbraw/zinc/61/42/63/1440614263.db2.gz LNCRMNHYBZKGJY-YLJYHZDGSA-N 1 2 348.462 3.053 20 30 EGEDLO C=C[C@](C)(CCOC)C(=O)NC[C@H]1CC[N@H+]1Cc1cc(C)ccc1F ZINC001754500962 1440614264 /nfs/dbraw/zinc/61/42/64/1440614264.db2.gz LNCRMNHYBZKGJY-YLJYHZDGSA-N 1 2 348.462 3.053 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N(C)C1C[NH+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001754580772 1440638658 /nfs/dbraw/zinc/63/86/58/1440638658.db2.gz LUJNHTJTRHSKFU-SWLSCSKDSA-N 1 2 333.303 3.315 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@H]2C[NH2+]Cc2nc(C(C)C)no2)CCC1 ZINC001754616467 1440644639 /nfs/dbraw/zinc/64/46/39/1440644639.db2.gz DIZFJODDDJQWJU-HNNXBMFYSA-N 1 2 346.475 3.020 20 30 EGEDLO C#CCN(C(=O)CCCC(C)C)C1CC[NH+](Cc2coc(C)n2)CC1 ZINC001754641338 1440649211 /nfs/dbraw/zinc/64/92/11/1440649211.db2.gz YITXIBPAZLZTMV-UHFFFAOYSA-N 1 2 345.487 3.236 20 30 EGEDLO C#CCN(C(=O)[C@@H](C)[C@@H](C)CC)C1CC[NH+](Cc2ncc(C)o2)CC1 ZINC001754642253 1440649302 /nfs/dbraw/zinc/64/93/02/1440649302.db2.gz VAUCHKZIAQCQSK-RDJZCZTQSA-N 1 2 345.487 3.091 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](C)CC)C1 ZINC001754723173 1440674219 /nfs/dbraw/zinc/67/42/19/1440674219.db2.gz HQMOBGSEAIKLGP-DOMZBBRYSA-N 1 2 331.298 3.159 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C)CC)C1 ZINC001754723173 1440674220 /nfs/dbraw/zinc/67/42/20/1440674220.db2.gz HQMOBGSEAIKLGP-DOMZBBRYSA-N 1 2 331.298 3.159 20 30 EGEDLO C=C(Cl)C[N@@H+](C)Cc1ccccc1CNC(=O)c1coc(C)n1 ZINC001754945967 1440712897 /nfs/dbraw/zinc/71/28/97/1440712897.db2.gz PGQJRPDBPGBPLJ-UHFFFAOYSA-N 1 2 333.819 3.097 20 30 EGEDLO C=C(Cl)C[N@H+](C)Cc1ccccc1CNC(=O)c1coc(C)n1 ZINC001754945967 1440712898 /nfs/dbraw/zinc/71/28/98/1440712898.db2.gz PGQJRPDBPGBPLJ-UHFFFAOYSA-N 1 2 333.819 3.097 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2nc(C3CC3)no2)CC1(C)C ZINC001755137040 1440758682 /nfs/dbraw/zinc/75/86/82/1440758682.db2.gz LJPSTLYGKYYIGC-HIFRSBDPSA-N 1 2 346.475 3.191 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[N@H+]([C@H](C)c2nc(C3CC3)no2)CC1(C)C ZINC001755137040 1440758683 /nfs/dbraw/zinc/75/86/83/1440758683.db2.gz LJPSTLYGKYYIGC-HIFRSBDPSA-N 1 2 346.475 3.191 20 30 EGEDLO CC(C)CC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@H](C)C1 ZINC001755157538 1440763510 /nfs/dbraw/zinc/76/35/10/1440763510.db2.gz JIRLPJJHAYXFDO-KDOFPFPSSA-N 1 2 331.435 3.213 20 30 EGEDLO CC(C)CC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@H](C)C1 ZINC001755157538 1440763511 /nfs/dbraw/zinc/76/35/11/1440763511.db2.gz JIRLPJJHAYXFDO-KDOFPFPSSA-N 1 2 331.435 3.213 20 30 EGEDLO C=C(C)CC[N@H+](CC)CC1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001755183529 1440772059 /nfs/dbraw/zinc/77/20/59/1440772059.db2.gz LWHMLLNLYIZZFY-AWEZNQCLSA-N 1 2 338.389 3.414 20 30 EGEDLO C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001755183529 1440772060 /nfs/dbraw/zinc/77/20/60/1440772060.db2.gz LWHMLLNLYIZZFY-AWEZNQCLSA-N 1 2 338.389 3.414 20 30 EGEDLO C=C(C)CC[N@H+](CC)CC1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001755183529 1440772061 /nfs/dbraw/zinc/77/20/61/1440772061.db2.gz LWHMLLNLYIZZFY-AWEZNQCLSA-N 1 2 338.389 3.414 20 30 EGEDLO C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001755183529 1440772058 /nfs/dbraw/zinc/77/20/58/1440772058.db2.gz LWHMLLNLYIZZFY-AWEZNQCLSA-N 1 2 338.389 3.414 20 30 EGEDLO C=C/C(C)=C\CC(=O)N1CCC[C@@H]1C[N@H+](C)CC(=C)Br ZINC001755197840 1440777827 /nfs/dbraw/zinc/77/78/27/1440777827.db2.gz OHCYZOFBBYLZHQ-JEMSNHSXSA-N 1 2 341.293 3.340 20 30 EGEDLO C=C/C(C)=C\CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(=C)Br ZINC001755197840 1440777826 /nfs/dbraw/zinc/77/78/26/1440777826.db2.gz OHCYZOFBBYLZHQ-JEMSNHSXSA-N 1 2 341.293 3.340 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(Cl)cc1OC ZINC001755312278 1440813950 /nfs/dbraw/zinc/81/39/50/1440813950.db2.gz DIKLHYGFODGFJV-NSHDSACASA-N 1 2 331.243 3.151 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(Cl)cc1OC ZINC001755312278 1440813951 /nfs/dbraw/zinc/81/39/51/1440813951.db2.gz DIKLHYGFODGFJV-NSHDSACASA-N 1 2 331.243 3.151 20 30 EGEDLO CCCC[C@H](C[NH2+][C@@H](C)c1nc(C(C)C)no1)NC(=O)C#CC(C)C ZINC001755358397 1440830678 /nfs/dbraw/zinc/83/06/78/1440830678.db2.gz RLEISCCMYPCZIO-JKSUJKDBSA-N 1 2 348.491 3.178 20 30 EGEDLO C#CCCCC(=O)NC[C@@H]1CCCCC[N@H+]1C/C(Cl)=C/Cl ZINC001755364337 1440833670 /nfs/dbraw/zinc/83/36/70/1440833670.db2.gz SVNSZGFLJMTABT-SZGZABIGSA-N 1 2 331.287 3.470 20 30 EGEDLO C#CCCCC(=O)NC[C@@H]1CCCCC[N@@H+]1C/C(Cl)=C/Cl ZINC001755364337 1440833671 /nfs/dbraw/zinc/83/36/71/1440833671.db2.gz SVNSZGFLJMTABT-SZGZABIGSA-N 1 2 331.287 3.470 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C(C)(C)Cc2ccccc2)C1 ZINC001755388983 1440841475 /nfs/dbraw/zinc/84/14/75/1440841475.db2.gz NAOCTVJQXMWVPT-HNNXBMFYSA-N 1 2 334.891 3.444 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@]2(C1)C[N@H+](Cc1ccsc1)CCO2 ZINC001755400735 1440842708 /nfs/dbraw/zinc/84/27/08/1440842708.db2.gz ADJZXINDLNMRKH-IBGZPJMESA-N 1 2 348.512 3.154 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1ccsc1)CCO2 ZINC001755400735 1440842709 /nfs/dbraw/zinc/84/27/09/1440842709.db2.gz ADJZXINDLNMRKH-IBGZPJMESA-N 1 2 348.512 3.154 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C(C)C)n2)CC1(C)C ZINC001755414137 1440847856 /nfs/dbraw/zinc/84/78/56/1440847856.db2.gz PRYGFMUSSHTWEP-QGZVFWFLSA-N 1 2 332.492 3.147 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccn(C(C)C)n2)CC1(C)C ZINC001755414137 1440847857 /nfs/dbraw/zinc/84/78/57/1440847857.db2.gz PRYGFMUSSHTWEP-QGZVFWFLSA-N 1 2 332.492 3.147 20 30 EGEDLO C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001755456361 1440855539 /nfs/dbraw/zinc/85/55/39/1440855539.db2.gz SYSVSODDIPCAMZ-STQMWFEESA-N 1 2 336.373 3.166 20 30 EGEDLO C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001755456361 1440855540 /nfs/dbraw/zinc/85/55/40/1440855540.db2.gz SYSVSODDIPCAMZ-STQMWFEESA-N 1 2 336.373 3.166 20 30 EGEDLO C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001755456361 1440855541 /nfs/dbraw/zinc/85/55/41/1440855541.db2.gz SYSVSODDIPCAMZ-STQMWFEESA-N 1 2 336.373 3.166 20 30 EGEDLO C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001755456361 1440855542 /nfs/dbraw/zinc/85/55/42/1440855542.db2.gz SYSVSODDIPCAMZ-STQMWFEESA-N 1 2 336.373 3.166 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC2(C1)CCC[N@@H+](Cc1ncc(C)o1)C2 ZINC001755456483 1440855740 /nfs/dbraw/zinc/85/57/40/1440855740.db2.gz YAGCXCIALANYJY-UHFFFAOYSA-N 1 2 343.471 3.176 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC2(C1)CCC[N@H+](Cc1ncc(C)o1)C2 ZINC001755456483 1440855741 /nfs/dbraw/zinc/85/57/41/1440855741.db2.gz YAGCXCIALANYJY-UHFFFAOYSA-N 1 2 343.471 3.176 20 30 EGEDLO C=CCC(C)(C)C(=O)N(C)C[C@@H](C)[NH2+][C@H](C)c1nc(C2CC2)no1 ZINC001755605657 1440885457 /nfs/dbraw/zinc/88/54/57/1440885457.db2.gz FCCMPMQHFOCFOB-CHWSQXEVSA-N 1 2 334.464 3.047 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccn(C(C)C)n2)[C@H]1C ZINC001755717730 1440905915 /nfs/dbraw/zinc/90/59/15/1440905915.db2.gz IDMAEDQHFUMSCN-WMZOPIPTSA-N 1 2 332.492 3.289 20 30 EGEDLO C=C(C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccn(C(C)C)n2)[C@H]1C ZINC001755717730 1440905916 /nfs/dbraw/zinc/90/59/16/1440905916.db2.gz IDMAEDQHFUMSCN-WMZOPIPTSA-N 1 2 332.492 3.289 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@@H](C[NH2+]Cc1noc(C2CCC2)n1)C(C)(C)C ZINC001755829483 1440928203 /nfs/dbraw/zinc/92/82/03/1440928203.db2.gz CNBUZCLIYLJPEI-AWEZNQCLSA-N 1 2 348.491 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)CC[C@H]2CC(C)(C)CO2)CC1 ZINC001755898191 1440943271 /nfs/dbraw/zinc/94/32/71/1440943271.db2.gz CCJALPKOVIWVJJ-INIZCTEOSA-N 1 2 340.895 3.083 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)CC[C@H]2CC(C)(C)CO2)CC1 ZINC001755898191 1440943272 /nfs/dbraw/zinc/94/32/72/1440943272.db2.gz CCJALPKOVIWVJJ-INIZCTEOSA-N 1 2 340.895 3.083 20 30 EGEDLO C=CC[NH+]1CCN(C(F)(F)c2ccc3c(Cl)ncnc3c2)CC1 ZINC001165033476 721864656 /nfs/dbraw/zinc/86/46/56/721864656.db2.gz PVEMCFZSMVPSQV-UHFFFAOYSA-N 1 2 338.789 3.136 20 30 EGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000181316494 234150517 /nfs/dbraw/zinc/15/05/17/234150517.db2.gz HPOAHMDFKIFSAV-CYBMUJFWSA-N 1 2 342.830 3.059 20 30 EGEDLO N#Cc1ccc(N2CCN(c3cccc[nH+]3)CC2)c(C(F)(F)F)c1 ZINC000264457060 283161455 /nfs/dbraw/zinc/16/14/55/283161455.db2.gz XCIWUGFLSGCGHK-UHFFFAOYSA-N 1 2 332.329 3.299 20 30 EGEDLO N#Cc1cccc(OCC[N@@H+]2CCSC[C@H]2c2nccs2)c1 ZINC000187046672 236103273 /nfs/dbraw/zinc/10/32/73/236103273.db2.gz AEOWXAIFLHYDKX-HNNXBMFYSA-N 1 2 331.466 3.184 20 30 EGEDLO N#Cc1cccc(OCC[N@H+]2CCSC[C@H]2c2nccs2)c1 ZINC000187046672 236103274 /nfs/dbraw/zinc/10/32/74/236103274.db2.gz AEOWXAIFLHYDKX-HNNXBMFYSA-N 1 2 331.466 3.184 20 30 EGEDLO Cn1cc(C[N@@H+]2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)cc1C#N ZINC000191303165 239029326 /nfs/dbraw/zinc/02/93/26/239029326.db2.gz SOVLQDRRAAJTHV-OAHLLOKOSA-N 1 2 344.484 3.224 20 30 EGEDLO Cn1cc(C[N@H+]2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)cc1C#N ZINC000191303165 239029331 /nfs/dbraw/zinc/02/93/31/239029331.db2.gz SOVLQDRRAAJTHV-OAHLLOKOSA-N 1 2 344.484 3.224 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nc4ccccc4s3)CC2)cc1 ZINC000022780565 212324116 /nfs/dbraw/zinc/32/41/16/212324116.db2.gz KDZWMASRRVUFRZ-UHFFFAOYSA-N 1 2 348.475 3.486 20 30 EGEDLO C[C@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1ccc(C#N)cc1 ZINC000266046290 248060798 /nfs/dbraw/zinc/06/07/98/248060798.db2.gz VXXTVBHSRFVOQE-ZDUSSCGKSA-N 1 2 325.441 3.075 20 30 EGEDLO C[C@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1ccc(C#N)cc1 ZINC000266046290 248060801 /nfs/dbraw/zinc/06/08/01/248060801.db2.gz VXXTVBHSRFVOQE-ZDUSSCGKSA-N 1 2 325.441 3.075 20 30 EGEDLO CCc1nc([C@@H](C)[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)cs1 ZINC000267681171 251250143 /nfs/dbraw/zinc/25/01/43/251250143.db2.gz MJKCMAGMNRYYDW-PWSUYJOCSA-N 1 2 346.481 3.095 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000119705980 221382273 /nfs/dbraw/zinc/38/22/73/221382273.db2.gz YERIIOXUVCPQDH-INIZCTEOSA-N 1 2 341.455 3.310 20 30 EGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCOC2(C1)CCCCCC2 ZINC000119705980 221382276 /nfs/dbraw/zinc/38/22/76/221382276.db2.gz YERIIOXUVCPQDH-INIZCTEOSA-N 1 2 341.455 3.310 20 30 EGEDLO Cc1cccc(N2CC[NH+]([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000057323140 132199572 /nfs/dbraw/zinc/19/95/72/132199572.db2.gz ZQTKFMODIYFZCY-QGZVFWFLSA-N 1 2 348.450 3.016 20 30 EGEDLO Cc1c(C#N)cccc1C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000338125035 141097438 /nfs/dbraw/zinc/09/74/38/141097438.db2.gz KMQZNEFXNKKODH-KRWDZBQOSA-N 1 2 343.377 3.178 20 30 EGEDLO CC[N@H+](CCOc1cccc(C#N)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000338379455 141112230 /nfs/dbraw/zinc/11/22/30/141112230.db2.gz FENCHOJPANFSRP-UHFFFAOYSA-N 1 2 348.406 3.108 20 30 EGEDLO CC[N@@H+](CCOc1cccc(C#N)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000338379455 141112233 /nfs/dbraw/zinc/11/22/33/141112233.db2.gz FENCHOJPANFSRP-UHFFFAOYSA-N 1 2 348.406 3.108 20 30 EGEDLO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000348012691 141232123 /nfs/dbraw/zinc/23/21/23/141232123.db2.gz UKDPZBDRKXVJNY-SCLBCKFNSA-N 1 2 333.391 3.490 20 30 EGEDLO Cc1ccc(-c2noc([C@@H](C)[NH2+]Cc3cc(C#N)n(C)c3)n2)cc1F ZINC000361730512 144356343 /nfs/dbraw/zinc/35/63/43/144356343.db2.gz YNMCTPFKNDSCMR-GFCCVEGCSA-N 1 2 339.374 3.245 20 30 EGEDLO COCC#CC[N@@H+]1CCC[C@H]1c1cc(Br)ccc1OC ZINC000677818676 549336941 /nfs/dbraw/zinc/33/69/41/549336941.db2.gz TXVMUDHMKVLTJE-HNNXBMFYSA-N 1 2 338.245 3.244 20 30 EGEDLO COCC#CC[N@H+]1CCC[C@H]1c1cc(Br)ccc1OC ZINC000677818676 549336944 /nfs/dbraw/zinc/33/69/44/549336944.db2.gz TXVMUDHMKVLTJE-HNNXBMFYSA-N 1 2 338.245 3.244 20 30 EGEDLO N#Cc1ccccc1CSCC[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000195004881 153371219 /nfs/dbraw/zinc/37/12/19/153371219.db2.gz YKHXIWIWHTWNDQ-SFHVURJKSA-N 1 2 349.463 3.289 20 30 EGEDLO Cc1nsc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)c1C#N ZINC000339974292 155056469 /nfs/dbraw/zinc/05/64/69/155056469.db2.gz WMPGWPJFERZECO-UHFFFAOYSA-N 1 2 332.860 3.299 20 30 EGEDLO CCN(CC)C(=O)[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccccc1 ZINC000343873507 164055184 /nfs/dbraw/zinc/05/51/84/164055184.db2.gz UMMBRMJDJGFEDX-QGZVFWFLSA-N 1 2 327.453 3.319 20 30 EGEDLO CC(C)c1cnc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000346182007 164358582 /nfs/dbraw/zinc/35/85/82/164358582.db2.gz RAGDOMVWQNYZTH-UHFFFAOYSA-N 1 2 340.496 3.456 20 30 EGEDLO Cc1nsc(N2CC[NH+](CCOC3CCCCCC3)CC2)c1C#N ZINC000352176662 165270298 /nfs/dbraw/zinc/27/02/98/165270298.db2.gz SAGWKVQXHALZFH-UHFFFAOYSA-N 1 2 348.516 3.185 20 30 EGEDLO CNc1ccc(C#N)cc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000355643994 166270127 /nfs/dbraw/zinc/27/01/27/166270127.db2.gz NZZQDJIMVUKTHU-UHFFFAOYSA-N 1 2 331.379 3.097 20 30 EGEDLO N#Cc1ccccc1Sc1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000359128317 167075852 /nfs/dbraw/zinc/07/58/52/167075852.db2.gz PWYIGZRUELEPIJ-UHFFFAOYSA-N 1 2 334.404 3.363 20 30 EGEDLO Cn1cc[nH+]c1CNC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000359201188 167093925 /nfs/dbraw/zinc/09/39/25/167093925.db2.gz ZBSTVBICHSWFRE-UHFFFAOYSA-N 1 2 348.431 3.373 20 30 EGEDLO Cc1sc(NC(=O)C[N@H+](Cc2ccncc2)C2CC2)c(C#N)c1C ZINC000122313134 222059648 /nfs/dbraw/zinc/05/96/48/222059648.db2.gz BWVFZCZLZKXTNX-UHFFFAOYSA-N 1 2 340.452 3.235 20 30 EGEDLO Cc1sc(NC(=O)C[N@@H+](Cc2ccncc2)C2CC2)c(C#N)c1C ZINC000122313134 222059652 /nfs/dbraw/zinc/05/96/52/222059652.db2.gz BWVFZCZLZKXTNX-UHFFFAOYSA-N 1 2 340.452 3.235 20 30 EGEDLO COc1ccc[nH+]c1N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000528020693 269796913 /nfs/dbraw/zinc/79/69/13/269796913.db2.gz YBUFXMXSVWSGAS-UHFFFAOYSA-N 1 2 327.359 3.149 20 30 EGEDLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000483523680 270055608 /nfs/dbraw/zinc/05/56/08/270055608.db2.gz KWJRWEASGXRFBV-UHFFFAOYSA-N 1 2 325.387 3.330 20 30 EGEDLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000483523680 270055609 /nfs/dbraw/zinc/05/56/09/270055609.db2.gz KWJRWEASGXRFBV-UHFFFAOYSA-N 1 2 325.387 3.330 20 30 EGEDLO CCOc1ccccc1N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000179515377 265380851 /nfs/dbraw/zinc/38/08/51/265380851.db2.gz MSJXEQOERUJGRL-UHFFFAOYSA-N 1 2 327.453 3.341 20 30 EGEDLO CCC1(CO)CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000286676482 266015729 /nfs/dbraw/zinc/01/57/29/266015729.db2.gz AAJSFLNSWZINOJ-UHFFFAOYSA-N 1 2 337.261 3.305 20 30 EGEDLO CCC[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000478185865 267028887 /nfs/dbraw/zinc/02/88/87/267028887.db2.gz YRFUGSCVXSIEJP-LJQANCHMSA-N 1 2 327.472 3.275 20 30 EGEDLO CCCc1nc(C)c(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)o1 ZINC000428311808 267043010 /nfs/dbraw/zinc/04/30/10/267043010.db2.gz RSMKOYKDKYTTQL-GOSISDBHSA-N 1 2 325.412 3.381 20 30 EGEDLO CCCc1nc(C)c(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)o1 ZINC000428311808 267043013 /nfs/dbraw/zinc/04/30/13/267043013.db2.gz RSMKOYKDKYTTQL-GOSISDBHSA-N 1 2 325.412 3.381 20 30 EGEDLO CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000454589153 267168440 /nfs/dbraw/zinc/16/84/40/267168440.db2.gz WPDDXCGTAVVBTN-GFCCVEGCSA-N 1 2 327.388 3.056 20 30 EGEDLO CCOc1ccccc1N1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000483515183 267175554 /nfs/dbraw/zinc/17/55/54/267175554.db2.gz MKRPDYWKQFSWCK-UHFFFAOYSA-N 1 2 339.414 3.418 20 30 EGEDLO C[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccc(F)c(Cl)c1 ZINC000433237942 267297694 /nfs/dbraw/zinc/29/76/94/267297694.db2.gz BTJQLGUJGYRLEX-UHFFFAOYSA-N 1 2 345.805 3.099 20 30 EGEDLO C[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccc(F)c(Cl)c1 ZINC000433237942 267297696 /nfs/dbraw/zinc/29/76/96/267297696.db2.gz BTJQLGUJGYRLEX-UHFFFAOYSA-N 1 2 345.805 3.099 20 30 EGEDLO Cc1ccc(C#N)c(N2CCc3c([nH+]cn3CCc3ccccc3)C2)n1 ZINC000302090143 267376215 /nfs/dbraw/zinc/37/62/15/267376215.db2.gz ATVPBYUFTWCQDH-UHFFFAOYSA-N 1 2 343.434 3.264 20 30 EGEDLO COc1cc(C[N@@H+]2CCc3nc(C(C)(C)C)ncc3C2)ccc1C#N ZINC000529644209 267583335 /nfs/dbraw/zinc/58/33/35/267583335.db2.gz WPHXWKXAHIQRPU-UHFFFAOYSA-N 1 2 336.439 3.213 20 30 EGEDLO COc1cc(C[N@H+]2CCc3nc(C(C)(C)C)ncc3C2)ccc1C#N ZINC000529644209 267583339 /nfs/dbraw/zinc/58/33/39/267583339.db2.gz WPHXWKXAHIQRPU-UHFFFAOYSA-N 1 2 336.439 3.213 20 30 EGEDLO Cc1ccn2cc(CNC(=O)N(C)[C@H](C)c3cccc(C#N)c3)[nH+]c2c1 ZINC000425455920 268062109 /nfs/dbraw/zinc/06/21/09/268062109.db2.gz VINXIWZYRCXVSI-OAHLLOKOSA-N 1 2 347.422 3.417 20 30 EGEDLO N#Cc1ccc(C[N@H+](Cc2ncnn2-c2ccccc2)C2CC2)cc1 ZINC000281975113 268064493 /nfs/dbraw/zinc/06/44/93/268064493.db2.gz LLSACKULOZBMPE-UHFFFAOYSA-N 1 2 329.407 3.304 20 30 EGEDLO N#Cc1ccc(C[N@@H+](Cc2ncnn2-c2ccccc2)C2CC2)cc1 ZINC000281975113 268064497 /nfs/dbraw/zinc/06/44/97/268064497.db2.gz LLSACKULOZBMPE-UHFFFAOYSA-N 1 2 329.407 3.304 20 30 EGEDLO Cc1nc(C(C)C)oc1C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000428461482 268073260 /nfs/dbraw/zinc/07/32/60/268073260.db2.gz LWXLMHWOGQREDC-UHFFFAOYSA-N 1 2 342.418 3.439 20 30 EGEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(OC3CCC3)CC2)c(C#N)c1C ZINC000419308226 268104866 /nfs/dbraw/zinc/10/48/66/268104866.db2.gz UXHZFZXYYSKWIU-ZDUSSCGKSA-N 1 2 345.443 3.129 20 30 EGEDLO N#Cc1ccc(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1F ZINC000289680199 268148236 /nfs/dbraw/zinc/14/82/36/268148236.db2.gz HQVJSKDPRVAGSS-UHFFFAOYSA-N 1 2 339.374 3.014 20 30 EGEDLO N#Cc1c(Cl)cccc1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000450309430 268158938 /nfs/dbraw/zinc/15/89/38/268158938.db2.gz SWQWCSUBMNFQCN-UHFFFAOYSA-N 1 2 332.860 3.380 20 30 EGEDLO N#Cc1c(Cl)cccc1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000450309430 268158940 /nfs/dbraw/zinc/15/89/40/268158940.db2.gz SWQWCSUBMNFQCN-UHFFFAOYSA-N 1 2 332.860 3.380 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)c(Cl)c1 ZINC000439449822 268217229 /nfs/dbraw/zinc/21/72/29/268217229.db2.gz JRUXUWLBKILQTJ-KBPBESRZSA-N 1 2 332.753 3.489 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)c(Cl)c1 ZINC000439449822 268217230 /nfs/dbraw/zinc/21/72/30/268217230.db2.gz JRUXUWLBKILQTJ-KBPBESRZSA-N 1 2 332.753 3.489 20 30 EGEDLO N#Cc1ccc([N+](=O)[O-])c(NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000302205784 268218253 /nfs/dbraw/zinc/21/82/53/268218253.db2.gz KDQMIFKMZLPZFC-UHFFFAOYSA-N 1 2 333.351 3.323 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](OCC3CC3)C2)cc1Cl ZINC000494706275 268242408 /nfs/dbraw/zinc/24/24/08/268242408.db2.gz DKONIZHMNHBMEY-MRXNPFEDSA-N 1 2 347.846 3.041 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](OCC3CC3)C2)cc1Cl ZINC000494706275 268242409 /nfs/dbraw/zinc/24/24/09/268242409.db2.gz DKONIZHMNHBMEY-MRXNPFEDSA-N 1 2 347.846 3.041 20 30 EGEDLO N#Cc1cccc(/C=C\C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)c1 ZINC000492370132 268269277 /nfs/dbraw/zinc/26/92/77/268269277.db2.gz QODIYTYCSXDJJZ-FPLPWBNLSA-N 1 2 328.375 3.278 20 30 EGEDLO N#Cc1cccc(C#N)c1N1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000436329258 268270592 /nfs/dbraw/zinc/27/05/92/268270592.db2.gz XTPWMYMAAUUZSR-UHFFFAOYSA-N 1 2 343.365 3.317 20 30 EGEDLO N#Cc1ncc(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1Cl ZINC000455778052 268322748 /nfs/dbraw/zinc/32/27/48/268322748.db2.gz GIRWYGSFSBYEQB-ZDUSSCGKSA-N 1 2 330.779 3.089 20 30 EGEDLO COC(=O)c1ccc(N2CC[N@H+](Cc3ccccc3C#N)[C@H](C)C2)cc1 ZINC000109960046 275179442 /nfs/dbraw/zinc/17/94/42/275179442.db2.gz DYIABSOLQSQXGO-MRXNPFEDSA-N 1 2 349.434 3.056 20 30 EGEDLO COC(=O)c1ccc(N2CC[N@@H+](Cc3ccccc3C#N)[C@H](C)C2)cc1 ZINC000109960046 275179443 /nfs/dbraw/zinc/17/94/43/275179443.db2.gz DYIABSOLQSQXGO-MRXNPFEDSA-N 1 2 349.434 3.056 20 30 EGEDLO COC(=O)c1cccc(C[NH2+][C@@H](C)c2cccc(F)c2F)c1C#N ZINC000539330139 314306762 /nfs/dbraw/zinc/30/67/62/314306762.db2.gz NAMXQOXCCKHHPP-NSHDSACASA-N 1 2 330.334 3.474 20 30 EGEDLO Cc1cc(C#N)cnc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000550286630 315123484 /nfs/dbraw/zinc/12/34/84/315123484.db2.gz MKTWJXFCVIKXDQ-UHFFFAOYSA-N 1 2 337.770 3.353 20 30 EGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NCCCCn1cc[nH+]c1 ZINC000551095770 315141989 /nfs/dbraw/zinc/14/19/89/315141989.db2.gz QJDFRQGWOOANPY-UHFFFAOYSA-N 1 2 338.436 3.488 20 30 EGEDLO N#Cc1cnn2cc(C[NH2+]Cc3c(Cl)cccc3Cl)cnc12 ZINC000559876616 315648121 /nfs/dbraw/zinc/64/81/21/315648121.db2.gz CSIFVCYWYVENDN-UHFFFAOYSA-N 1 2 332.194 3.198 20 30 EGEDLO N#Cc1ccc(OC2CC[NH+](Cc3nnc(C4CC4)o3)CC2)c(F)c1 ZINC000568423672 316773975 /nfs/dbraw/zinc/77/39/75/316773975.db2.gz OBWGEGQXPVCIES-UHFFFAOYSA-N 1 2 342.374 3.001 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000571092237 317150150 /nfs/dbraw/zinc/15/01/50/317150150.db2.gz NHKBGBWQZCRQIB-QGZVFWFLSA-N 1 2 349.369 3.342 20 30 EGEDLO C=CCN1CC[C@H]([N@H+]2CCc3c(Br)cccc3[C@H]2C)C1=O ZINC000337167287 456331643 /nfs/dbraw/zinc/33/16/43/456331643.db2.gz AUBITMVDDZCQNB-WBMJQRKESA-N 1 2 349.272 3.155 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+]2CCc3c(Br)cccc3[C@H]2C)C1=O ZINC000337167287 456331656 /nfs/dbraw/zinc/33/16/56/456331656.db2.gz AUBITMVDDZCQNB-WBMJQRKESA-N 1 2 349.272 3.155 20 30 EGEDLO Cc1cc(C[C@@H](C)Nc2cc(C)[nH+]cc2C#N)n(-c2ccccc2)n1 ZINC000578351606 324956859 /nfs/dbraw/zinc/95/68/59/324956859.db2.gz ISQZDEAZGIANBX-OAHLLOKOSA-N 1 2 331.423 3.221 20 30 EGEDLO Cc1nnc(NCc2cc[nH+]c(N3CCCCCC3)c2)c(C#N)c1C ZINC000264564695 455238474 /nfs/dbraw/zinc/23/84/74/455238474.db2.gz VQZXREQNAVGRFZ-UHFFFAOYSA-N 1 2 336.443 3.353 20 30 EGEDLO C=CCCO[C@H](C)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000264600759 455245914 /nfs/dbraw/zinc/24/59/14/455245914.db2.gz LMCDARABVIUSTB-OAHLLOKOSA-N 1 2 343.427 3.223 20 30 EGEDLO COc1ccccc1[C@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000158045889 455262991 /nfs/dbraw/zinc/26/29/91/455262991.db2.gz NYLXYKUGBZGVHF-AWEZNQCLSA-N 1 2 341.436 3.056 20 30 EGEDLO COc1ccccc1[C@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000158045889 455262995 /nfs/dbraw/zinc/26/29/95/455262995.db2.gz NYLXYKUGBZGVHF-AWEZNQCLSA-N 1 2 341.436 3.056 20 30 EGEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000158299344 455289970 /nfs/dbraw/zinc/28/99/70/455289970.db2.gz YCEMDLINVKMATA-UHFFFAOYSA-N 1 2 337.398 3.092 20 30 EGEDLO O=C1c2cc(F)cc([N+](=O)[O-])c2OC/C1=C\c1cccc2[nH+]ccn21 ZINC000181478746 455341302 /nfs/dbraw/zinc/34/13/02/455341302.db2.gz IWYKMVCGSAAZPQ-UXBLZVDNSA-N 1 2 339.282 3.040 20 30 EGEDLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(C#N)cc1F ZINC000008936875 453237928 /nfs/dbraw/zinc/23/79/28/453237928.db2.gz PZMKCBANMGPVRT-UHFFFAOYSA-N 1 2 341.386 3.167 20 30 EGEDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(C#N)cc1F ZINC000008936875 453237938 /nfs/dbraw/zinc/23/79/38/453237938.db2.gz PZMKCBANMGPVRT-UHFFFAOYSA-N 1 2 341.386 3.167 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccs1 ZINC000016395454 453605339 /nfs/dbraw/zinc/60/53/39/453605339.db2.gz YVYCKVZBDZEJMD-UHFFFAOYSA-N 1 2 344.436 3.146 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccs1 ZINC000016395454 453605345 /nfs/dbraw/zinc/60/53/45/453605345.db2.gz YVYCKVZBDZEJMD-UHFFFAOYSA-N 1 2 344.436 3.146 20 30 EGEDLO Cc1cc2[nH+]cn(C[C@@H](O)COc3ccc(CC#N)cc3)c2cc1C ZINC000024097773 453725595 /nfs/dbraw/zinc/72/55/95/453725595.db2.gz WYEGHLXBGQAHOC-QGZVFWFLSA-N 1 2 335.407 3.159 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000025417904 453771229 /nfs/dbraw/zinc/77/12/29/453771229.db2.gz NFLNTUQRBSQUQF-SFHVURJKSA-N 1 2 348.431 3.332 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1csc(Br)c1 ZINC000053338809 453872148 /nfs/dbraw/zinc/87/21/48/453872148.db2.gz MYEJQWSVOOJFPA-UHFFFAOYSA-N 1 2 343.290 3.143 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1csc(Br)c1 ZINC000053338809 453872151 /nfs/dbraw/zinc/87/21/51/453872151.db2.gz MYEJQWSVOOJFPA-UHFFFAOYSA-N 1 2 343.290 3.143 20 30 EGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000075300363 453877819 /nfs/dbraw/zinc/87/78/19/453877819.db2.gz OVIJAUYRMGEXML-ZWKOTPCHSA-N 1 2 330.391 3.246 20 30 EGEDLO C[C@@H](c1ccccc1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512345 453879647 /nfs/dbraw/zinc/87/96/47/453879647.db2.gz KTLRGVUIPRJINA-HNNXBMFYSA-N 1 2 328.437 3.025 20 30 EGEDLO C[C@@H](c1ccccc1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512345 453879652 /nfs/dbraw/zinc/87/96/52/453879652.db2.gz KTLRGVUIPRJINA-HNNXBMFYSA-N 1 2 328.437 3.025 20 30 EGEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000081513952 453880141 /nfs/dbraw/zinc/88/01/41/453880141.db2.gz OZBIWNXBBBLSRF-HOTGVXAUSA-N 1 2 327.472 3.367 20 30 EGEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000081513952 453880145 /nfs/dbraw/zinc/88/01/45/453880145.db2.gz OZBIWNXBBBLSRF-HOTGVXAUSA-N 1 2 327.472 3.367 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCn1cc[nH+]c1 ZINC000066955519 453890336 /nfs/dbraw/zinc/89/03/36/453890336.db2.gz PHKGDZWVJWSLSN-ZDUSSCGKSA-N 1 2 329.429 3.099 20 30 EGEDLO COC(=O)[C@H]([NH2+]C[C@@H]1CCCc2ccccc21)c1cccc(C#N)c1 ZINC000083029920 453934615 /nfs/dbraw/zinc/93/46/15/453934615.db2.gz QHFCFIYGOZIUEU-AZUAARDMSA-N 1 2 334.419 3.482 20 30 EGEDLO CCS[C@@H]1CCCC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000083189905 453943051 /nfs/dbraw/zinc/94/30/51/453943051.db2.gz YNTVHZJICMCNPQ-SJORKVTESA-N 1 2 332.469 3.380 20 30 EGEDLO CCS[C@@H]1CCCC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000083189905 453943052 /nfs/dbraw/zinc/94/30/52/453943052.db2.gz YNTVHZJICMCNPQ-SJORKVTESA-N 1 2 332.469 3.380 20 30 EGEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000055103354 453962862 /nfs/dbraw/zinc/96/28/62/453962862.db2.gz RGCBHLFADKJJQA-UHFFFAOYSA-N 1 2 341.436 3.143 20 30 EGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1cc(C#N)cs1 ZINC000084116069 453970649 /nfs/dbraw/zinc/97/06/49/453970649.db2.gz FKHPDGRPLHMLRH-UHFFFAOYSA-N 1 2 336.420 3.137 20 30 EGEDLO N#Cc1ccc(/C=C/C(=O)Nc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000055815952 454016451 /nfs/dbraw/zinc/01/64/51/454016451.db2.gz WCXWKAREHKQPTR-MDZDMXLPSA-N 1 2 347.418 3.042 20 30 EGEDLO N#C[C@@H](C(=O)c1ccc(-n2cc[nH+]c2)cc1)c1cnc2ccccc2n1 ZINC000190930819 455408480 /nfs/dbraw/zinc/40/84/80/455408480.db2.gz DFIWUROGIRGGJL-MRXNPFEDSA-N 1 2 339.358 3.306 20 30 EGEDLO COC(=O)[C@H](C)[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1 ZINC000089141047 454124399 /nfs/dbraw/zinc/12/43/99/454124399.db2.gz FWQFJXVFMSBDON-ACJLOTCBSA-N 1 2 326.371 3.337 20 30 EGEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000057595628 454137253 /nfs/dbraw/zinc/13/72/53/454137253.db2.gz VFCLBANZLTZCSG-NSHDSACASA-N 1 2 328.243 3.186 20 30 EGEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000057595628 454137254 /nfs/dbraw/zinc/13/72/54/454137254.db2.gz VFCLBANZLTZCSG-NSHDSACASA-N 1 2 328.243 3.186 20 30 EGEDLO C=CCNc1nnc(SCc2[nH+]ccn2CC(F)(F)F)s1 ZINC000057742666 454144129 /nfs/dbraw/zinc/14/41/29/454144129.db2.gz GJHDUKQAQKWXRY-UHFFFAOYSA-N 1 2 335.380 3.187 20 30 EGEDLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CCC(C#N)CC1 ZINC000057873882 454153944 /nfs/dbraw/zinc/15/39/44/454153944.db2.gz NIYXSJCIYZMNOJ-UHFFFAOYSA-N 1 2 340.254 3.187 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(C#N)CC1 ZINC000057906944 454156451 /nfs/dbraw/zinc/15/64/51/454156451.db2.gz QLADAEAFTSZDGJ-LLVKDONJSA-N 1 2 341.333 3.148 20 30 EGEDLO C[C@H](NC(=O)C[NH+]1CCC(C#N)CC1)c1ccc(Cl)cc1Cl ZINC000057907822 454156540 /nfs/dbraw/zinc/15/65/40/454156540.db2.gz SIOIFYRNNDOJRT-NSHDSACASA-N 1 2 340.254 3.406 20 30 EGEDLO C[C@H](c1cccnc1)[NH+]1CCN(c2c(Cl)cccc2C#N)CC1 ZINC000078261664 454219272 /nfs/dbraw/zinc/21/92/72/454219272.db2.gz GGTXGMFCEQOOII-CQSZACIVSA-N 1 2 326.831 3.490 20 30 EGEDLO CCN(CCC#N)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000078492377 454263738 /nfs/dbraw/zinc/26/37/38/454263738.db2.gz DQERKGVMAZSSKB-IYBDPMFKSA-N 1 2 344.459 3.063 20 30 EGEDLO CCN(CCC#N)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000078492377 454263739 /nfs/dbraw/zinc/26/37/39/454263739.db2.gz DQERKGVMAZSSKB-IYBDPMFKSA-N 1 2 344.459 3.063 20 30 EGEDLO C[C@H]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000131967095 454302150 /nfs/dbraw/zinc/30/21/50/454302150.db2.gz IXTIZAQBCPZWNF-LRDDRELGSA-N 1 2 328.803 3.131 20 30 EGEDLO Cc1ccc2oc(N3CC[NH+](Cc4cc(C#N)cs4)CC3)nc2c1 ZINC000120532526 454316188 /nfs/dbraw/zinc/31/61/88/454316188.db2.gz ARJZWOWEHIKDIR-UHFFFAOYSA-N 1 2 338.436 3.392 20 30 EGEDLO CC[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccoc1 ZINC000072599490 454316389 /nfs/dbraw/zinc/31/63/89/454316389.db2.gz WKRJYJVOMDVNSJ-UHFFFAOYSA-N 1 2 329.425 3.356 20 30 EGEDLO CC[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccoc1 ZINC000072599490 454316394 /nfs/dbraw/zinc/31/63/94/454316394.db2.gz WKRJYJVOMDVNSJ-UHFFFAOYSA-N 1 2 329.425 3.356 20 30 EGEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000047029108 454321369 /nfs/dbraw/zinc/32/13/69/454321369.db2.gz GPBSLGIJADTPNP-LBPRGKRZSA-N 1 2 338.864 3.384 20 30 EGEDLO COCC[N@H+](CCC#N)Cc1ccc(OCc2ccccn2)cc1 ZINC000072690528 454327790 /nfs/dbraw/zinc/32/77/90/454327790.db2.gz NHUXCHKEZVYFCG-UHFFFAOYSA-N 1 2 325.412 3.023 20 30 EGEDLO COCC[N@@H+](CCC#N)Cc1ccc(OCc2ccccn2)cc1 ZINC000072690528 454327792 /nfs/dbraw/zinc/32/77/92/454327792.db2.gz NHUXCHKEZVYFCG-UHFFFAOYSA-N 1 2 325.412 3.023 20 30 EGEDLO C=CC[N@@H+](CCOC)Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000191082501 455439507 /nfs/dbraw/zinc/43/95/07/455439507.db2.gz OWTKGGJKQSSOOI-UHFFFAOYSA-N 1 2 334.441 3.159 20 30 EGEDLO C=CC[N@H+](CCOC)Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000191082501 455439512 /nfs/dbraw/zinc/43/95/12/455439512.db2.gz OWTKGGJKQSSOOI-UHFFFAOYSA-N 1 2 334.441 3.159 20 30 EGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cccnc2)c1C ZINC000132464258 454341209 /nfs/dbraw/zinc/34/12/09/454341209.db2.gz HNMVCTFLKNOCKJ-UHFFFAOYSA-N 1 2 336.439 3.077 20 30 EGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)Cc2cccnc2)c1C ZINC000132464258 454341214 /nfs/dbraw/zinc/34/12/14/454341214.db2.gz HNMVCTFLKNOCKJ-UHFFFAOYSA-N 1 2 336.439 3.077 20 30 EGEDLO C=CC[N@@H+](CC(=O)N(CC(C)C)C(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000063287413 454402464 /nfs/dbraw/zinc/40/24/64/454402464.db2.gz WGJZNWFYYRKCKP-UHFFFAOYSA-N 1 2 347.459 3.476 20 30 EGEDLO C=CC[N@H+](CC(=O)N(CC(C)C)C(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000063287413 454402468 /nfs/dbraw/zinc/40/24/68/454402468.db2.gz WGJZNWFYYRKCKP-UHFFFAOYSA-N 1 2 347.459 3.476 20 30 EGEDLO N#CCc1ccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000098024892 454449749 /nfs/dbraw/zinc/44/97/49/454449749.db2.gz QAGCMEDJHITMKJ-UHFFFAOYSA-N 1 2 331.379 3.260 20 30 EGEDLO CCc1[nH+]c2ccccc2n1CC(=O)Nc1cc(C#N)ccc1OC ZINC000064456336 454482958 /nfs/dbraw/zinc/48/29/58/454482958.db2.gz NYCFVQMJNIAMTG-UHFFFAOYSA-N 1 2 334.379 3.118 20 30 EGEDLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)s1 ZINC000122115532 454509750 /nfs/dbraw/zinc/50/97/50/454509750.db2.gz PDFDFLOPPHMPNS-DYVFJYSZSA-N 1 2 336.505 3.061 20 30 EGEDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)s1 ZINC000122115532 454509754 /nfs/dbraw/zinc/50/97/54/454509754.db2.gz PDFDFLOPPHMPNS-DYVFJYSZSA-N 1 2 336.505 3.061 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cnc(C(C)(C)C)s2)c1 ZINC000092143650 454527897 /nfs/dbraw/zinc/52/78/97/454527897.db2.gz PGHLQGDHHXFXSW-UHFFFAOYSA-N 1 2 341.480 3.492 20 30 EGEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cnc(C(C)(C)C)s2)c1 ZINC000092143650 454527902 /nfs/dbraw/zinc/52/79/02/454527902.db2.gz PGHLQGDHHXFXSW-UHFFFAOYSA-N 1 2 341.480 3.492 20 30 EGEDLO C=CCOc1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000074289530 454557883 /nfs/dbraw/zinc/55/78/83/454557883.db2.gz DBYSKFQKIDNELN-UHFFFAOYSA-N 1 2 342.464 3.271 20 30 EGEDLO N#CC1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000123666109 454663518 /nfs/dbraw/zinc/66/35/18/454663518.db2.gz CUEVHXPYVGVHEI-UHFFFAOYSA-N 1 2 328.397 3.454 20 30 EGEDLO Cn1c2ccc(CNC(=O)c3cccc(C#N)c3)cc2[nH+]c1C1CC1 ZINC000074999139 454673072 /nfs/dbraw/zinc/67/30/72/454673072.db2.gz QBFUXYMBOTUQPG-UHFFFAOYSA-N 1 2 330.391 3.252 20 30 EGEDLO COc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1OCc1ccncc1 ZINC000093090515 454680594 /nfs/dbraw/zinc/68/05/94/454680594.db2.gz MNMYKNGPXPCLLX-HNNXBMFYSA-N 1 2 325.412 3.403 20 30 EGEDLO COc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1OCc1ccncc1 ZINC000093090515 454680598 /nfs/dbraw/zinc/68/05/98/454680598.db2.gz MNMYKNGPXPCLLX-HNNXBMFYSA-N 1 2 325.412 3.403 20 30 EGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)C1(C#N)CCCCC1 ZINC000081100273 454687835 /nfs/dbraw/zinc/68/78/35/454687835.db2.gz PKUMSUPWMFSAIP-UHFFFAOYSA-N 1 2 336.439 3.364 20 30 EGEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000093259792 454696569 /nfs/dbraw/zinc/69/65/69/454696569.db2.gz WGOOJVDGXXRLHZ-LLVKDONJSA-N 1 2 347.509 3.229 20 30 EGEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000093259792 454696573 /nfs/dbraw/zinc/69/65/73/454696573.db2.gz WGOOJVDGXXRLHZ-LLVKDONJSA-N 1 2 347.509 3.229 20 30 EGEDLO Cc1ccc([C@@H]2COCC[N@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)o1 ZINC000093459783 454716048 /nfs/dbraw/zinc/71/60/48/454716048.db2.gz KLZQSHCKOPVMND-YJBOKZPZSA-N 1 2 326.396 3.452 20 30 EGEDLO Cc1ccc([C@@H]2COCC[N@@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)o1 ZINC000093459783 454716053 /nfs/dbraw/zinc/71/60/53/454716053.db2.gz KLZQSHCKOPVMND-YJBOKZPZSA-N 1 2 326.396 3.452 20 30 EGEDLO N#C[C@H](NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1)C1CCCCC1 ZINC000176600324 454762340 /nfs/dbraw/zinc/76/23/40/454762340.db2.gz JSCGNXDBEMVNMR-BLRBJFNZSA-N 1 2 334.423 3.474 20 30 EGEDLO Cc1csc(N2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)n1 ZINC000177025592 454813329 /nfs/dbraw/zinc/81/33/29/454813329.db2.gz ZSJRAJCNIYTSBQ-UHFFFAOYSA-N 1 2 331.872 3.279 20 30 EGEDLO Cc1cccn2cc(CNC(=O)c3cccc(SCC#N)c3)[nH+]c12 ZINC000177271661 454845739 /nfs/dbraw/zinc/84/57/39/454845739.db2.gz YJHYBOJPSZUPHV-UHFFFAOYSA-N 1 2 336.420 3.188 20 30 EGEDLO C=CCC(CC=C)C(=O)Nc1cc(C)nn1-c1cc(C)[nH+]c(C)n1 ZINC000150694823 454882142 /nfs/dbraw/zinc/88/21/42/454882142.db2.gz SNYYSLSKBRUMAW-UHFFFAOYSA-N 1 2 325.416 3.294 20 30 EGEDLO Cc1nc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)sc1C ZINC000177760459 454900929 /nfs/dbraw/zinc/90/09/29/454900929.db2.gz ZOVXGDPWAYXSIQ-QGZVFWFLSA-N 1 2 326.469 3.142 20 30 EGEDLO C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000177824083 454910617 /nfs/dbraw/zinc/91/06/17/454910617.db2.gz OKPYGSSXLCLZCE-BEFAXECRSA-N 1 2 340.448 3.025 20 30 EGEDLO C[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000177824083 454910622 /nfs/dbraw/zinc/91/06/22/454910622.db2.gz OKPYGSSXLCLZCE-BEFAXECRSA-N 1 2 340.448 3.025 20 30 EGEDLO COc1ccc(CNc2ccc(N(C)C)c[nH+]2)cc1OCCCC#N ZINC000150910067 454911452 /nfs/dbraw/zinc/91/14/52/454911452.db2.gz GMFUMULRFMUYPW-UHFFFAOYSA-N 1 2 340.427 3.451 20 30 EGEDLO C#CCCOc1ccc(C[NH2+]C2(c3noc(C)n3)CCCC2)cc1 ZINC000113332013 454922678 /nfs/dbraw/zinc/92/26/78/454922678.db2.gz RNAQPBNMOWXVMN-UHFFFAOYSA-N 1 2 325.412 3.339 20 30 EGEDLO C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(N2CCCC2)[nH+]c1 ZINC000127104501 454938336 /nfs/dbraw/zinc/93/83/36/454938336.db2.gz FKZQNZFQLIUQAI-LJQANCHMSA-N 1 2 334.423 3.434 20 30 EGEDLO N#CCN(CC#N)C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000114322764 454950622 /nfs/dbraw/zinc/95/06/22/454950622.db2.gz PAEWLDWPVUVLSB-UHFFFAOYSA-N 1 2 326.743 3.017 20 30 EGEDLO COc1cccc(/C=N/C[C@H](c2c(F)cccc2F)[NH+](C)C)c1O ZINC000114990730 454989850 /nfs/dbraw/zinc/98/98/50/454989850.db2.gz GTSOYIITXNAGQK-SBUZPKSBSA-N 1 2 334.366 3.401 20 30 EGEDLO N#CC1CC[NH+](CC[S@@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000117875457 455095192 /nfs/dbraw/zinc/09/51/92/455095192.db2.gz PDSYAVCHVPVOHH-FQEVSTJZSA-N 1 2 331.268 3.337 20 30 EGEDLO Oc1ccccc1N1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000152535679 455133195 /nfs/dbraw/zinc/13/31/95/455133195.db2.gz DTFCLUXOCRZVBC-UHFFFAOYSA-N 1 2 326.827 3.219 20 30 EGEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2cccs2)CC1 ZINC000130049854 455139755 /nfs/dbraw/zinc/13/97/55/455139755.db2.gz TZDOKCIHWZBYRE-UHFFFAOYSA-N 1 2 340.408 3.190 20 30 EGEDLO C[N@H+](Cc1nc(CCc2ccccc2)no1)Cc1ccc(C#N)cc1 ZINC000173471968 455288486 /nfs/dbraw/zinc/28/84/86/455288486.db2.gz LBFBHDDELXGDKQ-UHFFFAOYSA-N 1 2 332.407 3.358 20 30 EGEDLO C[N@@H+](Cc1nc(CCc2ccccc2)no1)Cc1ccc(C#N)cc1 ZINC000173471968 455288494 /nfs/dbraw/zinc/28/84/94/455288494.db2.gz LBFBHDDELXGDKQ-UHFFFAOYSA-N 1 2 332.407 3.358 20 30 EGEDLO C=CC[N@@H+](CC(=O)Nc1cc(C(C)(C)C)nn1C)Cc1cccs1 ZINC000158522773 455309726 /nfs/dbraw/zinc/30/97/26/455309726.db2.gz RINLXRZNGYBRSO-UHFFFAOYSA-N 1 2 346.500 3.406 20 30 EGEDLO C=CC[N@H+](CC(=O)Nc1cc(C(C)(C)C)nn1C)Cc1cccs1 ZINC000158522773 455309728 /nfs/dbraw/zinc/30/97/28/455309728.db2.gz RINLXRZNGYBRSO-UHFFFAOYSA-N 1 2 346.500 3.406 20 30 EGEDLO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1c(F)cccc1Cl ZINC000181760133 455379724 /nfs/dbraw/zinc/37/97/24/455379724.db2.gz MLDWAGRGNBCZKB-GFCCVEGCSA-N 1 2 337.826 3.472 20 30 EGEDLO N#CCNC(=O)C[NH2+][C@@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000181889047 455395196 /nfs/dbraw/zinc/39/51/96/455395196.db2.gz QVKPBAVYYDFYIB-KRWDZBQOSA-N 1 2 348.233 3.312 20 30 EGEDLO COC[C@@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)c1ccc(C)o1 ZINC000184755517 455442447 /nfs/dbraw/zinc/44/24/47/455442447.db2.gz XHIBUDNUERNYFJ-CQSZACIVSA-N 1 2 347.440 3.054 20 30 EGEDLO Cn1cc([C@H]2CSCC[N@@H+]2CC#Cc2cccc(Cl)c2)cn1 ZINC000191166176 455456208 /nfs/dbraw/zinc/45/62/08/455456208.db2.gz HHAMOCIMJNUMBX-QGZVFWFLSA-N 1 2 331.872 3.215 20 30 EGEDLO Cn1cc([C@H]2CSCC[N@H+]2CC#Cc2cccc(Cl)c2)cn1 ZINC000191166176 455456211 /nfs/dbraw/zinc/45/62/11/455456211.db2.gz HHAMOCIMJNUMBX-QGZVFWFLSA-N 1 2 331.872 3.215 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184902619 455469612 /nfs/dbraw/zinc/46/96/12/455469612.db2.gz ZVBZMSHOYLRKPY-CABCVRRESA-N 1 2 340.427 3.000 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184902657 455469961 /nfs/dbraw/zinc/46/99/61/455469961.db2.gz ZVBZMSHOYLRKPY-HUUCEWRRSA-N 1 2 340.427 3.000 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000246867480 455532532 /nfs/dbraw/zinc/53/25/32/455532532.db2.gz FIBLDKHNBBEKAD-AEFFLSMTSA-N 1 2 345.512 3.093 20 30 EGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000246867480 455532535 /nfs/dbraw/zinc/53/25/35/455532535.db2.gz FIBLDKHNBBEKAD-AEFFLSMTSA-N 1 2 345.512 3.093 20 30 EGEDLO C[C@H](CC#N)[N@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000246952297 455538592 /nfs/dbraw/zinc/53/85/92/455538592.db2.gz CEGCOHTXRVRWKJ-NWDGAFQWSA-N 1 2 343.500 3.175 20 30 EGEDLO C[C@H](CC#N)[N@@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000246952297 455538596 /nfs/dbraw/zinc/53/85/96/455538596.db2.gz CEGCOHTXRVRWKJ-NWDGAFQWSA-N 1 2 343.500 3.175 20 30 EGEDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000161167621 455542737 /nfs/dbraw/zinc/54/27/37/455542737.db2.gz XLGNHMULNBKTEE-ZDUSSCGKSA-N 1 2 342.830 3.456 20 30 EGEDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000161167621 455542742 /nfs/dbraw/zinc/54/27/42/455542742.db2.gz XLGNHMULNBKTEE-ZDUSSCGKSA-N 1 2 342.830 3.456 20 30 EGEDLO C=CCOc1cccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000161362032 455563127 /nfs/dbraw/zinc/56/31/27/455563127.db2.gz TYONPUYSNVFMSC-INIZCTEOSA-N 1 2 338.411 3.047 20 30 EGEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCO[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000185619900 455585451 /nfs/dbraw/zinc/58/54/51/455585451.db2.gz NEMDNUUFVRHHAG-OALUTQOASA-N 1 2 342.826 3.319 20 30 EGEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCO[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000185619900 455585455 /nfs/dbraw/zinc/58/54/55/455585455.db2.gz NEMDNUUFVRHHAG-OALUTQOASA-N 1 2 342.826 3.319 20 30 EGEDLO N#CCC[C@@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1ccccc1 ZINC000277673920 455630682 /nfs/dbraw/zinc/63/06/82/455630682.db2.gz DTVDBOXGIXXZPW-MRXNPFEDSA-N 1 2 339.468 3.487 20 30 EGEDLO N#CCC[C@@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1ccccc1 ZINC000277673920 455630687 /nfs/dbraw/zinc/63/06/87/455630687.db2.gz DTVDBOXGIXXZPW-MRXNPFEDSA-N 1 2 339.468 3.487 20 30 EGEDLO C#CCOc1ccc([C@H](C)[NH2+][C@H](CO)c2c(F)cccc2F)cc1 ZINC000271466598 455647914 /nfs/dbraw/zinc/64/79/14/455647914.db2.gz LCVZTFMTJKAOJE-SCLBCKFNSA-N 1 2 331.362 3.361 20 30 EGEDLO C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[NH+]1Cc1cc(C#N)ccc1F ZINC000292418446 455657539 /nfs/dbraw/zinc/65/75/39/455657539.db2.gz VCEIALLJCICQQQ-KBPBESRZSA-N 1 2 331.435 3.165 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](CCC)C1 ZINC000248120668 455683181 /nfs/dbraw/zinc/68/31/81/455683181.db2.gz UHRVTUKHGWBCHA-CVEARBPZSA-N 1 2 336.501 3.152 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](CCC)C1 ZINC000248120668 455683186 /nfs/dbraw/zinc/68/31/86/455683186.db2.gz UHRVTUKHGWBCHA-CVEARBPZSA-N 1 2 336.501 3.152 20 30 EGEDLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000249050370 455742374 /nfs/dbraw/zinc/74/23/74/455742374.db2.gz IRRWCLHWITUIFK-MJGOQNOKSA-N 1 2 343.471 3.049 20 30 EGEDLO CC[C@H]1C[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000249050370 455742378 /nfs/dbraw/zinc/74/23/78/455742378.db2.gz IRRWCLHWITUIFK-MJGOQNOKSA-N 1 2 343.471 3.049 20 30 EGEDLO C=CCN(CCC#N)Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000292806991 455761934 /nfs/dbraw/zinc/76/19/34/455761934.db2.gz OESVUSCMRFMTER-UHFFFAOYSA-N 1 2 333.233 3.307 20 30 EGEDLO C=CCc1cc(CN2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc(OC)c1O ZINC000294715999 455825007 /nfs/dbraw/zinc/82/50/07/455825007.db2.gz FCYIAYCLYQSJKB-SFHVURJKSA-N 1 2 341.455 3.446 20 30 EGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccccn2)c1C ZINC000295091919 455838692 /nfs/dbraw/zinc/83/86/92/455838692.db2.gz FJIDGCZBAKEVFE-UHFFFAOYSA-N 1 2 336.439 3.077 20 30 EGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccccn2)c1C ZINC000295091919 455838695 /nfs/dbraw/zinc/83/86/95/455838695.db2.gz FJIDGCZBAKEVFE-UHFFFAOYSA-N 1 2 336.439 3.077 20 30 EGEDLO C=CCOc1ccc(CC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000295203391 455841659 /nfs/dbraw/zinc/84/16/59/455841659.db2.gz WIGOXSWSVVXQNV-LPHOPBHVSA-N 1 2 339.439 3.100 20 30 EGEDLO Cc1c[nH+]ccc1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000285478822 455854440 /nfs/dbraw/zinc/85/44/40/455854440.db2.gz OJKKNNWBOPTTJE-UHFFFAOYSA-N 1 2 338.386 3.256 20 30 EGEDLO CC(C)(C#N)c1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000279536925 455866843 /nfs/dbraw/zinc/86/68/43/455866843.db2.gz ABIRZIYOROARCS-UHFFFAOYSA-N 1 2 348.450 3.413 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(OCCC)c(OC)c2)n1 ZINC000279497595 455867217 /nfs/dbraw/zinc/86/72/17/455867217.db2.gz YYJDERUJFGGJHD-UHFFFAOYSA-N 1 2 341.455 3.336 20 30 EGEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(OCCC)c(OC)c2)n1 ZINC000279497595 455867222 /nfs/dbraw/zinc/86/72/22/455867222.db2.gz YYJDERUJFGGJHD-UHFFFAOYSA-N 1 2 341.455 3.336 20 30 EGEDLO Cc1nc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)oc1C ZINC000285558361 455869689 /nfs/dbraw/zinc/86/96/89/455869689.db2.gz SELKQHTWEGXSOS-UHFFFAOYSA-N 1 2 329.375 3.346 20 30 EGEDLO Cc1ccc2c(c1)C[N@@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)CCO2 ZINC000285609781 455882086 /nfs/dbraw/zinc/88/20/86/455882086.db2.gz PZKPBBUYQZSENL-UHFFFAOYSA-N 1 2 346.390 3.311 20 30 EGEDLO Cc1ccc2c(c1)C[N@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)CCO2 ZINC000285609781 455882089 /nfs/dbraw/zinc/88/20/89/455882089.db2.gz PZKPBBUYQZSENL-UHFFFAOYSA-N 1 2 346.390 3.311 20 30 EGEDLO C[C@@H](C#N)CN(C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270397335 455945222 /nfs/dbraw/zinc/94/52/22/455945222.db2.gz YVNCRHCKWWOLQC-AWEZNQCLSA-N 1 2 335.411 3.225 20 30 EGEDLO N#Cc1sc(N2CC[NH+](Cc3cccc(F)c3)CC2)nc1Cl ZINC000286056266 455969011 /nfs/dbraw/zinc/96/90/11/455969011.db2.gz BEQWWMXJJWHYBB-UHFFFAOYSA-N 1 2 336.823 3.129 20 30 EGEDLO Cc1oc(C#N)cc1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000280537624 455993802 /nfs/dbraw/zinc/99/38/02/455993802.db2.gz CQZCHPUQCZYKQT-CYBMUJFWSA-N 1 2 339.395 3.105 20 30 EGEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)Nc2ccc(F)cc2C#N)CC1(C)C ZINC000296773367 456033931 /nfs/dbraw/zinc/03/39/31/456033931.db2.gz ZLJGNQNSFSNGTC-CQSZACIVSA-N 1 2 327.363 3.046 20 30 EGEDLO Cc1cc(NC(=O)N(C)C[C@@H](C)C#N)c[nH+]c1N1CCCC[C@@H]1C ZINC000272709684 456047920 /nfs/dbraw/zinc/04/79/20/456047920.db2.gz XHIBPPXBKKEZRW-ZFWWWQNUSA-N 1 2 329.448 3.392 20 30 EGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1c(Cl)oc2ccccc21 ZINC000271020398 456100361 /nfs/dbraw/zinc/10/03/61/456100361.db2.gz TXCSFUQKWSKGJA-UHFFFAOYSA-N 1 2 347.846 3.134 20 30 EGEDLO COc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1OCc1cccnc1 ZINC000271131604 456134722 /nfs/dbraw/zinc/13/47/22/456134722.db2.gz OQZIHYOCIOKFGP-OAHLLOKOSA-N 1 2 325.412 3.261 20 30 EGEDLO COc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1OCc1cccnc1 ZINC000271131604 456134726 /nfs/dbraw/zinc/13/47/26/456134726.db2.gz OQZIHYOCIOKFGP-OAHLLOKOSA-N 1 2 325.412 3.261 20 30 EGEDLO CC1(C)C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H]1[C@H]1CCCO1 ZINC000289701387 456136473 /nfs/dbraw/zinc/13/64/73/456136473.db2.gz IOJUVZSLYOLDHP-NVXWUHKLSA-N 1 2 347.846 3.040 20 30 EGEDLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H]1[C@H]1CCCO1 ZINC000289701387 456136482 /nfs/dbraw/zinc/13/64/82/456136482.db2.gz IOJUVZSLYOLDHP-NVXWUHKLSA-N 1 2 347.846 3.040 20 30 EGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@]1(C#N)CC13CCCC3)C2 ZINC000333171812 456172224 /nfs/dbraw/zinc/17/22/24/456172224.db2.gz KLNJZBQDLJOWKM-VBKZILBWSA-N 1 2 340.471 3.086 20 30 EGEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2SCC#N)CCC1(F)F ZINC000290007175 456213092 /nfs/dbraw/zinc/21/30/92/456213092.db2.gz ZMHPRVBTQXOSNE-GFCCVEGCSA-N 1 2 339.411 3.218 20 30 EGEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2SCC#N)CCC1(F)F ZINC000290007175 456213098 /nfs/dbraw/zinc/21/30/98/456213098.db2.gz ZMHPRVBTQXOSNE-GFCCVEGCSA-N 1 2 339.411 3.218 20 30 EGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1c[nH+]cn1C ZINC000290085604 456235639 /nfs/dbraw/zinc/23/56/39/456235639.db2.gz CGNGYFOKJXCJBO-LBPRGKRZSA-N 1 2 329.429 3.136 20 30 EGEDLO C#CC[N@@H+](Cc1nc(-c2ccc(Br)s2)no1)C1CC1 ZINC000274009858 456248473 /nfs/dbraw/zinc/24/84/73/456248473.db2.gz AODHVBLHNVRKDM-UHFFFAOYSA-N 1 2 338.230 3.158 20 30 EGEDLO C#CC[N@H+](Cc1nc(-c2ccc(Br)s2)no1)C1CC1 ZINC000274009858 456248480 /nfs/dbraw/zinc/24/84/80/456248480.db2.gz AODHVBLHNVRKDM-UHFFFAOYSA-N 1 2 338.230 3.158 20 30 EGEDLO C=CCN1CC[C@H]([N@H+]2CCSC[C@H]2c2ccc(Cl)cc2)C1=O ZINC000337189813 456336685 /nfs/dbraw/zinc/33/66/85/456336685.db2.gz RJOOQBAKCJQJLW-HOTGVXAUSA-N 1 2 336.888 3.217 20 30 EGEDLO C=CCN1CC[C@H]([N@@H+]2CCSC[C@H]2c2ccc(Cl)cc2)C1=O ZINC000337189813 456336688 /nfs/dbraw/zinc/33/66/88/456336688.db2.gz RJOOQBAKCJQJLW-HOTGVXAUSA-N 1 2 336.888 3.217 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)N1CCCC[C@@H]1C)Cc1cnn(C(C)C)c1 ZINC000352899760 456399917 /nfs/dbraw/zinc/39/99/17/456399917.db2.gz DLSOZSNNYVTRGC-KRWDZBQOSA-N 1 2 332.492 3.243 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)N1CCCC[C@@H]1C)Cc1cnn(C(C)C)c1 ZINC000352899760 456399923 /nfs/dbraw/zinc/39/99/23/456399923.db2.gz DLSOZSNNYVTRGC-KRWDZBQOSA-N 1 2 332.492 3.243 20 30 EGEDLO C=C(C)C[N@@H+](CC(=O)N(C(C)C)C(C)C)Cc1cnn(C(C)C)c1 ZINC000352912379 456408251 /nfs/dbraw/zinc/40/82/51/456408251.db2.gz CIKFAESPOCOOGD-UHFFFAOYSA-N 1 2 334.508 3.488 20 30 EGEDLO C=C(C)C[N@H+](CC(=O)N(C(C)C)C(C)C)Cc1cnn(C(C)C)c1 ZINC000352912379 456408258 /nfs/dbraw/zinc/40/82/58/456408258.db2.gz CIKFAESPOCOOGD-UHFFFAOYSA-N 1 2 334.508 3.488 20 30 EGEDLO N#CCN1CC[NH+](Cc2cc(Cl)ccc2OC2CCCC2)CC1 ZINC000353140509 456518037 /nfs/dbraw/zinc/51/80/37/456518037.db2.gz PDYJXGBQSXOGDH-UHFFFAOYSA-N 1 2 333.863 3.303 20 30 EGEDLO N#CCC[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000298698143 456519541 /nfs/dbraw/zinc/51/95/41/456519541.db2.gz ZRYLONAYJBSVCH-LLVKDONJSA-N 1 2 337.139 3.005 20 30 EGEDLO C[C@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)c1ncnn1C ZINC000276761350 456572260 /nfs/dbraw/zinc/57/22/60/456572260.db2.gz USAPCFYUXJFISN-HNNXBMFYSA-N 1 2 347.422 3.117 20 30 EGEDLO C=CCCO[C@H](C)C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000282919563 456663984 /nfs/dbraw/zinc/66/39/84/456663984.db2.gz NRGLTPQQDCWNFU-CYBMUJFWSA-N 1 2 327.428 3.277 20 30 EGEDLO N#Cc1nnc2ccccc2c1NCc1ccccc1-n1cc[nH+]c1 ZINC000340745878 456664487 /nfs/dbraw/zinc/66/44/87/456664487.db2.gz RLMXYGCVNAVPRE-UHFFFAOYSA-N 1 2 326.363 3.299 20 30 EGEDLO CC1(C#N)CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000291525493 456667725 /nfs/dbraw/zinc/66/77/25/456667725.db2.gz QIMXZEPKSSLRJB-UHFFFAOYSA-N 1 2 335.411 3.264 20 30 EGEDLO C=CC[N@H+](Cc1nc(C)cs1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000353512527 456726279 /nfs/dbraw/zinc/72/62/79/456726279.db2.gz DLOYBOXAXSCLHC-AWEZNQCLSA-N 1 2 340.456 3.176 20 30 EGEDLO C=CC[N@@H+](Cc1nc(C)cs1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000353512527 456726282 /nfs/dbraw/zinc/72/62/82/456726282.db2.gz DLOYBOXAXSCLHC-AWEZNQCLSA-N 1 2 340.456 3.176 20 30 EGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(-c3cccs3)s2)C1=O ZINC000343598965 456733971 /nfs/dbraw/zinc/73/39/71/456733971.db2.gz GIKJJWSOSDBKMH-CYBMUJFWSA-N 1 2 333.482 3.090 20 30 EGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(-c3cccs3)s2)C1=O ZINC000343598965 456733976 /nfs/dbraw/zinc/73/39/76/456733976.db2.gz GIKJJWSOSDBKMH-CYBMUJFWSA-N 1 2 333.482 3.090 20 30 EGEDLO CCO[C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCOCC2)C12CCCCC2 ZINC000328689723 456738252 /nfs/dbraw/zinc/73/82/52/456738252.db2.gz QMSPACZDODCFJN-JKSUJKDBSA-N 1 2 338.492 3.182 20 30 EGEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000328777464 456758251 /nfs/dbraw/zinc/75/82/51/456758251.db2.gz FVADEFKWIUKATG-YLFCFFPRSA-N 1 2 328.460 3.133 20 30 EGEDLO C=C(C)[C@@H](Nc1cc(N2CCOCC2)nc[nH+]1)c1ccc(F)c(F)c1 ZINC000277286591 456761453 /nfs/dbraw/zinc/76/14/53/456761453.db2.gz BBIFALICIKYJIV-GOSISDBHSA-N 1 2 346.381 3.321 20 30 EGEDLO C=C(C)[C@@H](Nc1cc(N2CCOCC2)[nH+]cn1)c1ccc(F)c(F)c1 ZINC000277286591 456761460 /nfs/dbraw/zinc/76/14/60/456761460.db2.gz BBIFALICIKYJIV-GOSISDBHSA-N 1 2 346.381 3.321 20 30 EGEDLO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000343747316 456773091 /nfs/dbraw/zinc/77/30/91/456773091.db2.gz KZBYXVVXYOCJFT-STQMWFEESA-N 1 2 339.365 3.062 20 30 EGEDLO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000343747316 456773096 /nfs/dbraw/zinc/77/30/96/456773096.db2.gz KZBYXVVXYOCJFT-STQMWFEESA-N 1 2 339.365 3.062 20 30 EGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC000328884092 456784142 /nfs/dbraw/zinc/78/41/42/456784142.db2.gz YJPHSXRJFMCLLJ-MWDXBVQZSA-N 1 2 330.476 3.482 20 30 EGEDLO N#Cc1cnc2ccc(Cl)cc2c1NCC1([NH+]2CCOCC2)CC1 ZINC000277346884 456788186 /nfs/dbraw/zinc/78/81/86/456788186.db2.gz FZIJZFQLVSZPLN-UHFFFAOYSA-N 1 2 342.830 3.037 20 30 EGEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccsc1 ZINC000348646257 456799966 /nfs/dbraw/zinc/79/99/66/456799966.db2.gz PFAGXDZDDVZJNT-OAHLLOKOSA-N 1 2 339.464 3.068 20 30 EGEDLO C=CC[C@H](CC)NC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000344287207 456812707 /nfs/dbraw/zinc/81/27/07/456812707.db2.gz UNWPSHNUTOOANC-RBUKOAKNSA-N 1 2 345.487 3.022 20 30 EGEDLO Cc1noc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cc(F)ccc3F)C2)n1 ZINC000329021248 456815102 /nfs/dbraw/zinc/81/51/02/456815102.db2.gz HXRMNVPGBLLHGN-MWLCHTKSSA-N 1 2 336.342 3.122 20 30 EGEDLO Cc1noc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3cc(F)ccc3F)C2)n1 ZINC000329021248 456815108 /nfs/dbraw/zinc/81/51/08/456815108.db2.gz HXRMNVPGBLLHGN-MWLCHTKSSA-N 1 2 336.342 3.122 20 30 EGEDLO C[C@@H]1CC[C@H](CCC(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)O1 ZINC000329048237 456822226 /nfs/dbraw/zinc/82/22/26/456822226.db2.gz KCPFNDNXOVXYBW-FRFSOERESA-N 1 2 335.448 3.192 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)[C@@H]1O[C@H](C)C[C@H]1C)C1CCOCC1 ZINC000329077300 456830995 /nfs/dbraw/zinc/83/09/95/456830995.db2.gz CMDYJZHYBUBTSU-RRCSTGOVSA-N 1 2 335.448 3.141 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)C[C@@H]1CCC(=O)[C@@H]1C)C1CCOCC1 ZINC000329084146 456831216 /nfs/dbraw/zinc/83/12/16/456831216.db2.gz SSSPAWWBQDITLF-QIIPPGSGSA-N 1 2 347.459 3.333 20 30 EGEDLO CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000329100507 456835099 /nfs/dbraw/zinc/83/50/99/456835099.db2.gz ZLYMNCYPDZGFGE-JXFKEZNVSA-N 1 2 346.471 3.148 20 30 EGEDLO CCc1ccc([C@H](C)NC(=O)C[N@H+]2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000329100507 456835102 /nfs/dbraw/zinc/83/51/02/456835102.db2.gz ZLYMNCYPDZGFGE-JXFKEZNVSA-N 1 2 346.471 3.148 20 30 EGEDLO C[C@]1(NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CCCOC1 ZINC000329161510 456845084 /nfs/dbraw/zinc/84/50/84/456845084.db2.gz ZAFULCLNXZHOKK-IBGZPJMESA-N 1 2 346.475 3.035 20 30 EGEDLO CC[C@H](C#N)NC(=O)c1ccc(OCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000338666669 456850578 /nfs/dbraw/zinc/85/05/78/456850578.db2.gz RROCOJLVNWBOSH-MRXNPFEDSA-N 1 2 348.406 3.254 20 30 EGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCCC[C@H]1C)C1CCOCC1 ZINC000329204313 456853766 /nfs/dbraw/zinc/85/37/66/456853766.db2.gz DBBVCBZTVJDJCB-GDBMZVCRSA-N 1 2 334.464 3.159 20 30 EGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@@H](C(C)(C)C)C1)C1CCOCC1 ZINC000329411056 456886605 /nfs/dbraw/zinc/88/66/05/456886605.db2.gz CBFSUGFNJKEXHN-HZPDHXFCSA-N 1 2 348.491 3.170 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)NCc3ccccc3C)C2)[nH]1 ZINC000329453233 456892969 /nfs/dbraw/zinc/89/29/69/456892969.db2.gz NQHQKBRMTKWODK-RHSMWYFYSA-N 1 2 341.459 3.146 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)C(=O)NCc3ccccc3C)C2)[nH]1 ZINC000329453233 456892972 /nfs/dbraw/zinc/89/29/72/456892972.db2.gz NQHQKBRMTKWODK-RHSMWYFYSA-N 1 2 341.459 3.146 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@H](C)C(=O)NCc3ccccc3C)C2)n1 ZINC000329453233 456892976 /nfs/dbraw/zinc/89/29/76/456892976.db2.gz NQHQKBRMTKWODK-RHSMWYFYSA-N 1 2 341.459 3.146 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@H](C)C(=O)NCc3ccccc3C)C2)n1 ZINC000329453233 456892981 /nfs/dbraw/zinc/89/29/81/456892981.db2.gz NQHQKBRMTKWODK-RHSMWYFYSA-N 1 2 341.459 3.146 20 30 EGEDLO Cc1nc([C@@H]2CCC[N@H+]([C@H](C)C(=O)NCc3ccccc3C)C2)n[nH]1 ZINC000329453233 456892989 /nfs/dbraw/zinc/89/29/89/456892989.db2.gz NQHQKBRMTKWODK-RHSMWYFYSA-N 1 2 341.459 3.146 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)Nc3c(C)cccc3C)C2)[nH]1 ZINC000329482604 456897740 /nfs/dbraw/zinc/89/77/40/456897740.db2.gz RMZPJZULVLBOLL-OAHLLOKOSA-N 1 2 327.432 3.198 20 30 EGEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)Nc3c(C)cccc3C)C2)[nH]1 ZINC000329482604 456897743 /nfs/dbraw/zinc/89/77/43/456897743.db2.gz RMZPJZULVLBOLL-OAHLLOKOSA-N 1 2 327.432 3.198 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)Nc3c(C)cccc3C)C2)n1 ZINC000329482604 456897744 /nfs/dbraw/zinc/89/77/44/456897744.db2.gz RMZPJZULVLBOLL-OAHLLOKOSA-N 1 2 327.432 3.198 20 30 EGEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)Nc3c(C)cccc3C)C2)n1 ZINC000329482604 456897745 /nfs/dbraw/zinc/89/77/45/456897745.db2.gz RMZPJZULVLBOLL-OAHLLOKOSA-N 1 2 327.432 3.198 20 30 EGEDLO Cc1ccc([C@@H]2C[C@H](C)N(C([O-])=[NH+][C@H]3CCc4[nH]c[nH+]c4C3)C2)cc1 ZINC000329710145 456930974 /nfs/dbraw/zinc/93/09/74/456930974.db2.gz LZBCJYBGRALBQZ-UAGQMJEPSA-N 1 2 338.455 3.367 20 30 EGEDLO COc1coc(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)cc1=O ZINC000329984223 456969931 /nfs/dbraw/zinc/96/99/31/456969931.db2.gz QFAFBLORSCQPIN-UHFFFAOYSA-N 1 2 348.443 3.150 20 30 EGEDLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330141164 456991319 /nfs/dbraw/zinc/99/13/19/456991319.db2.gz XKDNNFGQTGKLGK-GQIGUUNPSA-N 1 2 346.471 3.495 20 30 EGEDLO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330141164 456991322 /nfs/dbraw/zinc/99/13/22/456991322.db2.gz XKDNNFGQTGKLGK-GQIGUUNPSA-N 1 2 346.471 3.495 20 30 EGEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000345793781 456994230 /nfs/dbraw/zinc/99/42/30/456994230.db2.gz GOBFWPBSCYGJNK-BHIYHBOVSA-N 1 2 348.450 3.315 20 30 EGEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCCCC[C@@H]1c1ccncc1 ZINC000330279010 457019332 /nfs/dbraw/zinc/01/93/32/457019332.db2.gz QJWSNKLEOKEYAV-IAGOWNOFSA-N 1 2 339.443 3.124 20 30 EGEDLO CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000330285240 457022265 /nfs/dbraw/zinc/02/22/65/457022265.db2.gz YPIGBVLXVKVSDV-MSOLQXFVSA-N 1 2 332.444 3.184 20 30 EGEDLO CC(C)Oc1cccc(CNC(=O)C[N@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000330285240 457022269 /nfs/dbraw/zinc/02/22/69/457022269.db2.gz YPIGBVLXVKVSDV-MSOLQXFVSA-N 1 2 332.444 3.184 20 30 EGEDLO Cc1c(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cnn1C1CCCCC1 ZINC000330333945 457029062 /nfs/dbraw/zinc/02/90/62/457029062.db2.gz YMAQVPVIMCFKFG-AWEZNQCLSA-N 1 2 327.432 3.213 20 30 EGEDLO C=CCOc1cccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000362657916 457029903 /nfs/dbraw/zinc/02/99/03/457029903.db2.gz WGCFVLCSNIUOMR-UHFFFAOYSA-N 1 2 340.427 3.148 20 30 EGEDLO CC[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1cc(F)ccc1F ZINC000341981110 457039692 /nfs/dbraw/zinc/03/96/92/457039692.db2.gz ITZQQKJWUUMLFE-IRXDYDNUSA-N 1 2 329.350 3.104 20 30 EGEDLO COCC1(C#N)CC[NH+]([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000341982268 457040265 /nfs/dbraw/zinc/04/02/65/457040265.db2.gz ACXMOLJSSFHNOZ-AWEZNQCLSA-N 1 2 326.400 3.050 20 30 EGEDLO COCC1(C#N)CC[NH+](Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000341997100 457049789 /nfs/dbraw/zinc/04/97/89/457049789.db2.gz UEQGGKLDAYNOCI-UHFFFAOYSA-N 1 2 329.375 3.233 20 30 EGEDLO C=C(C)[C@H](CC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1)OCC ZINC000339362882 457068095 /nfs/dbraw/zinc/06/80/95/457068095.db2.gz XNSVWLVOQNXNGV-SFHVURJKSA-N 1 2 341.455 3.261 20 30 EGEDLO Cc1cc(NC(=O)N[C@H](CCO)C(C)C)c[nH+]c1N1CCCC[C@@H]1C ZINC000330775272 457084594 /nfs/dbraw/zinc/08/45/94/457084594.db2.gz HJDICCLZUXXUPM-DOTOQJQBSA-N 1 2 348.491 3.311 20 30 EGEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)c(C#N)c1C ZINC000359865012 457134336 /nfs/dbraw/zinc/13/43/36/457134336.db2.gz CRVFABCNXMURTO-YVEFUNNKSA-N 1 2 338.411 3.185 20 30 EGEDLO Cc1oc(NC(=O)C[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)c(C#N)c1C ZINC000359865012 457134340 /nfs/dbraw/zinc/13/43/40/457134340.db2.gz CRVFABCNXMURTO-YVEFUNNKSA-N 1 2 338.411 3.185 20 30 EGEDLO Cc1cc[nH+]c(C)c1NC(=O)C[C@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000331245771 457153476 /nfs/dbraw/zinc/15/34/76/457153476.db2.gz SIFYXNSCTVCXMW-MRXNPFEDSA-N 1 2 346.475 3.309 20 30 EGEDLO CCN(CC)c1ccc(CNC(=O)[C@H](C)c2cccc(C#N)c2)c[nH+]1 ZINC000360007219 457199781 /nfs/dbraw/zinc/19/97/81/457199781.db2.gz PGQMNQOOYGISFX-OAHLLOKOSA-N 1 2 336.439 3.219 20 30 EGEDLO C=C(C)[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC000360618329 457321743 /nfs/dbraw/zinc/32/17/43/457321743.db2.gz IJCSSWSDNBPKGR-ROUUACIJSA-N 1 2 341.361 3.270 20 30 EGEDLO N#CCc1ccc(C[N@H+]2CCOC[C@H]2CC(=O)c2ccccc2)cc1 ZINC000351876194 457321858 /nfs/dbraw/zinc/32/18/58/457321858.db2.gz GREQMEZACQACFS-HXUWFJFHSA-N 1 2 334.419 3.226 20 30 EGEDLO N#CCc1ccc(C[N@@H+]2CCOC[C@H]2CC(=O)c2ccccc2)cc1 ZINC000351876194 457321860 /nfs/dbraw/zinc/32/18/60/457321860.db2.gz GREQMEZACQACFS-HXUWFJFHSA-N 1 2 334.419 3.226 20 30 EGEDLO CC(C)c1nc(N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc[nH+]1 ZINC000347305552 457342624 /nfs/dbraw/zinc/34/26/24/457342624.db2.gz IIAJBMIUYHMUTR-HNNXBMFYSA-N 1 2 339.418 3.114 20 30 EGEDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(F)(C#N)CC1 ZINC000352489461 457408882 /nfs/dbraw/zinc/40/88/82/457408882.db2.gz AHEOJQMHGKXJGL-NSHDSACASA-N 1 2 345.334 3.033 20 30 EGEDLO CCC[C@H](NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1)c1ccccc1 ZINC000352492388 457412168 /nfs/dbraw/zinc/41/21/68/457412168.db2.gz XLYKBKMLJRMAKB-RDJZCZTQSA-N 1 2 331.435 3.360 20 30 EGEDLO Cc1cccn2cc(CNC(=O)C[C@H](CC#N)c3ccccc3)[nH+]c12 ZINC000355809698 457419272 /nfs/dbraw/zinc/41/92/72/457419272.db2.gz IJSDQQOPPLSSMK-KRWDZBQOSA-N 1 2 332.407 3.347 20 30 EGEDLO N#Cc1ccc([C@@H]([NH2+][C@H]2CCc3sc(Cl)cc32)C(N)=O)cc1 ZINC000357281499 457420212 /nfs/dbraw/zinc/42/02/12/457420212.db2.gz GDIALMRRDJDJPC-SWLSCSKDSA-N 1 2 331.828 3.077 20 30 EGEDLO Cc1cc(N2CCC(n3c4ccccc4[nH]c3=O)CC2)c(C#N)c[nH+]1 ZINC000425211713 457462208 /nfs/dbraw/zinc/46/22/08/457462208.db2.gz UNEMXENXVIATOZ-UHFFFAOYSA-N 1 2 333.395 3.159 20 30 EGEDLO COc1ccc(Cl)cc1N1CC[C@@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000425223434 457464910 /nfs/dbraw/zinc/46/49/10/457464910.db2.gz KBXHIQXDTXCJDM-OAHLLOKOSA-N 1 2 342.830 3.036 20 30 EGEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1nc(CC)c(C)s1 ZINC000352702551 457544101 /nfs/dbraw/zinc/54/41/01/457544101.db2.gz ZBOTZWVFYNUJSQ-UHFFFAOYSA-N 1 2 333.457 3.276 20 30 EGEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1nc(CC)c(C)s1 ZINC000352702551 457544108 /nfs/dbraw/zinc/54/41/08/457544108.db2.gz ZBOTZWVFYNUJSQ-UHFFFAOYSA-N 1 2 333.457 3.276 20 30 EGEDLO C=CCOc1ccc(C[N@H+]2CCOC[C@@H]2CCOC)cc1Cl ZINC000361229606 457658018 /nfs/dbraw/zinc/65/80/18/457658018.db2.gz RIJJRPWCCMRPGL-HNNXBMFYSA-N 1 2 325.836 3.142 20 30 EGEDLO C=CCOc1ccc(C[N@@H+]2CCOC[C@@H]2CCOC)cc1Cl ZINC000361229606 457658020 /nfs/dbraw/zinc/65/80/20/457658020.db2.gz RIJJRPWCCMRPGL-HNNXBMFYSA-N 1 2 325.836 3.142 20 30 EGEDLO C=CCN(Cc1ccccc1F)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000357788548 457690070 /nfs/dbraw/zinc/69/00/70/457690070.db2.gz CIPGIZQYWSGBFE-QGZVFWFLSA-N 1 2 342.418 3.408 20 30 EGEDLO CCN(CC)C(=O)[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000361867318 457918096 /nfs/dbraw/zinc/91/80/96/457918096.db2.gz YTSOZAQYFQOLGO-IBGZPJMESA-N 1 2 339.414 3.397 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC=C(c3ccco3)C2)c(C#N)c1C ZINC000375666189 458010771 /nfs/dbraw/zinc/01/07/71/458010771.db2.gz PUNXWYKUDMFHDW-CYBMUJFWSA-N 1 2 339.395 3.477 20 30 EGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC=C(c3ccco3)C2)c(C#N)c1C ZINC000375666189 458010779 /nfs/dbraw/zinc/01/07/79/458010779.db2.gz PUNXWYKUDMFHDW-CYBMUJFWSA-N 1 2 339.395 3.477 20 30 EGEDLO C=CC[NH+](CC=C)CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000434681976 458035934 /nfs/dbraw/zinc/03/59/34/458035934.db2.gz ABAOZDIGIPCFHO-UHFFFAOYSA-N 1 2 345.443 3.486 20 30 EGEDLO COc1ccc(CN(C)C(=O)C[N@H+](CCC#N)CCC(C)C)cc1F ZINC000362169080 458037056 /nfs/dbraw/zinc/03/70/56/458037056.db2.gz FCRPTHXGCRCKCV-UHFFFAOYSA-N 1 2 349.450 3.054 20 30 EGEDLO COc1ccc(CN(C)C(=O)C[N@@H+](CCC#N)CCC(C)C)cc1F ZINC000362169080 458037064 /nfs/dbraw/zinc/03/70/64/458037064.db2.gz FCRPTHXGCRCKCV-UHFFFAOYSA-N 1 2 349.450 3.054 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)NCc1ccccc1 ZINC000371781503 458071788 /nfs/dbraw/zinc/07/17/88/458071788.db2.gz KYJXJCZRZWANHQ-WOJBJXKFSA-N 1 2 333.435 3.075 20 30 EGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)NCc1ccccc1 ZINC000371781503 458071792 /nfs/dbraw/zinc/07/17/92/458071792.db2.gz KYJXJCZRZWANHQ-WOJBJXKFSA-N 1 2 333.435 3.075 20 30 EGEDLO N#C[C@H]1N(Cc2ccc(-n3cc[nH+]c3)cc2)CCC[C@]12CCCCO2 ZINC000369306031 458165894 /nfs/dbraw/zinc/16/58/94/458165894.db2.gz NQNWNZZEKQWPKK-WOJBJXKFSA-N 1 2 336.439 3.300 20 30 EGEDLO CC(C)CC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000362464027 458196815 /nfs/dbraw/zinc/19/68/15/458196815.db2.gz MGQMIFVUURZMTN-UHFFFAOYSA-N 1 2 339.483 3.419 20 30 EGEDLO CCOc1ccccc1N1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000446766403 458227897 /nfs/dbraw/zinc/22/78/97/458227897.db2.gz HVHZSEDVRLRWCX-UHFFFAOYSA-N 1 2 338.426 3.398 20 30 EGEDLO C#C[C@@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)c1ccc(Cl)cc1F ZINC000376214491 458237501 /nfs/dbraw/zinc/23/75/01/458237501.db2.gz XMEHVYYCQMJESM-GXTWGEPZSA-N 1 2 331.778 3.113 20 30 EGEDLO C#C[C@@H](NC(=O)[C@H]1CCCc2[nH]c[nH+]c21)c1ccc(Cl)cc1F ZINC000376214491 458237505 /nfs/dbraw/zinc/23/75/05/458237505.db2.gz XMEHVYYCQMJESM-GXTWGEPZSA-N 1 2 331.778 3.113 20 30 EGEDLO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)Cc2ccccc2O1 ZINC000429184981 458288511 /nfs/dbraw/zinc/28/85/11/458288511.db2.gz UKDWMDNLVVCBBU-QGZVFWFLSA-N 1 2 349.434 3.216 20 30 EGEDLO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)Cc2ccccc2O1 ZINC000429184981 458288520 /nfs/dbraw/zinc/28/85/20/458288520.db2.gz UKDWMDNLVVCBBU-QGZVFWFLSA-N 1 2 349.434 3.216 20 30 EGEDLO Cc1cn2c([nH+]1)[C@H](CNc1nc3cc(Cl)ccn3c1C#N)CCC2 ZINC000376401813 458290420 /nfs/dbraw/zinc/29/04/20/458290420.db2.gz DETJFEAGBRHYLB-LBPRGKRZSA-N 1 2 340.818 3.354 20 30 EGEDLO Cc1ccoc1C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000429380628 458326257 /nfs/dbraw/zinc/32/62/57/458326257.db2.gz CGOUXVMOEBLADG-HNNXBMFYSA-N 1 2 343.402 3.494 20 30 EGEDLO Cc1ccoc1C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000429380628 458326260 /nfs/dbraw/zinc/32/62/60/458326260.db2.gz CGOUXVMOEBLADG-HNNXBMFYSA-N 1 2 343.402 3.494 20 30 EGEDLO Cc1cc(C)c(CNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)c[nH+]1 ZINC000416718402 458354338 /nfs/dbraw/zinc/35/43/38/458354338.db2.gz ILHAEXMOWHNKFY-IBGZPJMESA-N 1 2 334.423 3.447 20 30 EGEDLO N#CC1(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CCC1 ZINC000418144317 458372295 /nfs/dbraw/zinc/37/22/95/458372295.db2.gz SOVKBZRBFRUWPB-UHFFFAOYSA-N 1 2 336.226 3.358 20 30 EGEDLO Cc1cccc(C[NH+]2CCN(C(=O)[C@]3(C#N)CC34CCCC4)CC2)c1 ZINC000448580076 458401852 /nfs/dbraw/zinc/40/18/52/458401852.db2.gz WRSDWLSLSCGWLB-OAQYLSRUSA-N 1 2 337.467 3.113 20 30 EGEDLO C[C@@H]1CC[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H]1C ZINC000448580453 458402433 /nfs/dbraw/zinc/40/24/33/458402433.db2.gz YOMWPCHNVOCDDM-HLIPFELVSA-N 1 2 339.483 3.275 20 30 EGEDLO N#C[C@@]1(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CC12CCCC2 ZINC000448566148 458402506 /nfs/dbraw/zinc/40/25/06/458402506.db2.gz QGXHMQMQTJMWJC-MECCDNJOSA-N 1 2 349.478 3.318 20 30 EGEDLO C=CCOc1ccc(C(=O)NCc2cc(C)[nH+]c(C)c2)cc1OC ZINC000421914238 458423468 /nfs/dbraw/zinc/42/34/68/458423468.db2.gz GPBFFDHABCEEEC-UHFFFAOYSA-N 1 2 326.396 3.202 20 30 EGEDLO COC(=O)[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(C)c(C)c1 ZINC000459627573 458430753 /nfs/dbraw/zinc/43/07/53/458430753.db2.gz HNFVQJLSUXTOPE-SFHVURJKSA-N 1 2 344.455 3.208 20 30 EGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCC(C)(C)CCC#N ZINC000377044767 458448429 /nfs/dbraw/zinc/44/84/29/458448429.db2.gz QGVVOWPAUACKCF-OAHLLOKOSA-N 1 2 331.464 3.470 20 30 EGEDLO CCOC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000459712477 458455312 /nfs/dbraw/zinc/45/53/12/458455312.db2.gz MYXXSWQUTJCNAD-HNNXBMFYSA-N 1 2 335.835 3.041 20 30 EGEDLO CCOC[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000459712477 458455317 /nfs/dbraw/zinc/45/53/17/458455317.db2.gz MYXXSWQUTJCNAD-HNNXBMFYSA-N 1 2 335.835 3.041 20 30 EGEDLO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1CC1(C#N)CCC1 ZINC000450837967 458457644 /nfs/dbraw/zinc/45/76/44/458457644.db2.gz DPWNCBHHEVMBKB-HXUWFJFHSA-N 1 2 326.440 3.321 20 30 EGEDLO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+]1CC1(C#N)CCC1 ZINC000450837967 458457648 /nfs/dbraw/zinc/45/76/48/458457648.db2.gz DPWNCBHHEVMBKB-HXUWFJFHSA-N 1 2 326.440 3.321 20 30 EGEDLO CC[N@H+](CC#Cc1ccc(F)cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000437665656 458479806 /nfs/dbraw/zinc/47/98/06/458479806.db2.gz IGNBYIFJZBHNMS-FQEVSTJZSA-N 1 2 336.410 3.305 20 30 EGEDLO CC[N@@H+](CC#Cc1ccc(F)cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000437665656 458479811 /nfs/dbraw/zinc/47/98/11/458479811.db2.gz IGNBYIFJZBHNMS-FQEVSTJZSA-N 1 2 336.410 3.305 20 30 EGEDLO C=C(C)COc1cc(C[N@@H+]2CCO[C@@H](COC(C)C)C2)ccc1OC ZINC000373491485 458508688 /nfs/dbraw/zinc/50/86/88/458508688.db2.gz ZSOVKHGCCCPXFV-GOSISDBHSA-N 1 2 349.471 3.276 20 30 EGEDLO C=C(C)COc1cc(C[N@H+]2CCO[C@@H](COC(C)C)C2)ccc1OC ZINC000373491485 458508694 /nfs/dbraw/zinc/50/86/94/458508694.db2.gz ZSOVKHGCCCPXFV-GOSISDBHSA-N 1 2 349.471 3.276 20 30 EGEDLO CC1(C)CCCN(C(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C#N ZINC000493697843 458538812 /nfs/dbraw/zinc/53/88/12/458538812.db2.gz VUENCNDQDSXVBT-OTIVFRFGSA-N 1 2 334.423 3.426 20 30 EGEDLO C=C(C)[C@H](NC(=O)NCc1c[nH+]ccc1OC)c1ccc(F)c(F)c1 ZINC000431465932 458576819 /nfs/dbraw/zinc/57/68/19/458576819.db2.gz QNZABDCCSBVSNS-KRWDZBQOSA-N 1 2 347.365 3.485 20 30 EGEDLO C=CCC[C@@H](CO)NC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000455109376 458586140 /nfs/dbraw/zinc/58/61/40/458586140.db2.gz PNGOGYLXDITMKV-HOTGVXAUSA-N 1 2 346.475 3.217 20 30 EGEDLO C=CCc1ccccc1OC[C@@H](O)Cn1cc[nH+]c1-c1ccncc1 ZINC000438820800 458616025 /nfs/dbraw/zinc/61/60/25/458616025.db2.gz QZTSSORSSIBQRZ-SFHVURJKSA-N 1 2 335.407 3.114 20 30 EGEDLO N#CCc1cccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000455937332 458622993 /nfs/dbraw/zinc/62/29/93/458622993.db2.gz DCZKEEJBKMPDHB-UHFFFAOYSA-N 1 2 340.452 3.164 20 30 EGEDLO Cc1cc(C#N)cc(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1 ZINC000455963482 458624607 /nfs/dbraw/zinc/62/46/07/458624607.db2.gz BPLBSSHLKPWREM-MRXNPFEDSA-N 1 2 349.438 3.172 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000432024456 458663919 /nfs/dbraw/zinc/66/39/19/458663919.db2.gz LAKVKPUHUBYMSA-KSSFIOAISA-N 1 2 349.425 3.500 20 30 EGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000432024456 458663922 /nfs/dbraw/zinc/66/39/22/458663922.db2.gz LAKVKPUHUBYMSA-KSSFIOAISA-N 1 2 349.425 3.500 20 30 EGEDLO C=CCC(C)(C)CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000432105418 458679383 /nfs/dbraw/zinc/67/93/83/458679383.db2.gz DMIUYKRNEPYNRG-UHFFFAOYSA-N 1 2 326.444 3.333 20 30 EGEDLO COc1ccccc1C[N@H+](CCO)Cc1ccc(C#N)cc1Cl ZINC000439441988 458702068 /nfs/dbraw/zinc/70/20/68/458702068.db2.gz RAKRUSSKQJVFIP-UHFFFAOYSA-N 1 2 330.815 3.215 20 30 EGEDLO COc1ccccc1C[N@@H+](CCO)Cc1ccc(C#N)cc1Cl ZINC000439441988 458702073 /nfs/dbraw/zinc/70/20/73/458702073.db2.gz RAKRUSSKQJVFIP-UHFFFAOYSA-N 1 2 330.815 3.215 20 30 EGEDLO C[C@](C#N)(NC(=O)C[N@@H+](Cc1ccccc1Cl)CC1CC1)C1CC1 ZINC000503659886 458720279 /nfs/dbraw/zinc/72/02/79/458720279.db2.gz PPLBCGLYPJZETL-LJQANCHMSA-N 1 2 345.874 3.360 20 30 EGEDLO C[C@](C#N)(NC(=O)C[N@H+](Cc1ccccc1Cl)CC1CC1)C1CC1 ZINC000503659886 458720285 /nfs/dbraw/zinc/72/02/85/458720285.db2.gz PPLBCGLYPJZETL-LJQANCHMSA-N 1 2 345.874 3.360 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCc2ccc(C(C)(C)C)cc2C1 ZINC000511181315 458777379 /nfs/dbraw/zinc/77/73/79/458777379.db2.gz HTAKWJCWHDDVOE-OAQYLSRUSA-N 1 2 341.499 3.397 20 30 EGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCc2ccc(C(C)(C)C)cc2C1 ZINC000511181315 458777385 /nfs/dbraw/zinc/77/73/85/458777385.db2.gz HTAKWJCWHDDVOE-OAQYLSRUSA-N 1 2 341.499 3.397 20 30 EGEDLO CC[C@H](CC#N)[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000515864453 458812862 /nfs/dbraw/zinc/81/28/62/458812862.db2.gz DBJPTLZCMHKSLX-TZMCWYRMSA-N 1 2 325.334 3.093 20 30 EGEDLO C[C@H]1CCC[C@@](C#N)(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000516947924 458824336 /nfs/dbraw/zinc/82/43/36/458824336.db2.gz SNVYTXAIGNCBME-OXJNMPFZSA-N 1 2 336.439 3.063 20 30 EGEDLO C=CC[C@H](CC)NC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000466328726 458893724 /nfs/dbraw/zinc/89/37/24/458893724.db2.gz VUNNAPIWIYXHSK-SFHVURJKSA-N 1 2 345.487 3.267 20 30 EGEDLO C[C@H]1C[N@H+](Cc2cccc(F)c2C#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000496006719 459034220 /nfs/dbraw/zinc/03/42/20/459034220.db2.gz NMVCDEPQIGFWIH-SUMWQHHRSA-N 1 2 347.434 3.432 20 30 EGEDLO C[C@H]1C[N@@H+](Cc2cccc(F)c2C#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000496006719 459034223 /nfs/dbraw/zinc/03/42/23/459034223.db2.gz NMVCDEPQIGFWIH-SUMWQHHRSA-N 1 2 347.434 3.432 20 30 EGEDLO COc1cc(C[N@H+](CC(=O)OC(C)(C)C)C2CCC2)ccc1C#N ZINC000594611958 459111862 /nfs/dbraw/zinc/11/18/62/459111862.db2.gz QWRMRBGKHRNONX-UHFFFAOYSA-N 1 2 330.428 3.263 20 30 EGEDLO COc1cc(C[N@@H+](CC(=O)OC(C)(C)C)C2CCC2)ccc1C#N ZINC000594611958 459111869 /nfs/dbraw/zinc/11/18/69/459111869.db2.gz QWRMRBGKHRNONX-UHFFFAOYSA-N 1 2 330.428 3.263 20 30 EGEDLO C=CC[N@H+](CC(=O)NCC1CCCCC1)Cc1cccc(C#N)c1 ZINC000521088652 459119721 /nfs/dbraw/zinc/11/97/21/459119721.db2.gz XECSNFYOHOFQBY-UHFFFAOYSA-N 1 2 325.456 3.243 20 30 EGEDLO C=CC[N@@H+](CC(=O)NCC1CCCCC1)Cc1cccc(C#N)c1 ZINC000521088652 459119729 /nfs/dbraw/zinc/11/97/29/459119729.db2.gz XECSNFYOHOFQBY-UHFFFAOYSA-N 1 2 325.456 3.243 20 30 EGEDLO Cc1[nH+]c2ccccc2n1Cc1cn(CC2(C#N)CCCCC2)nn1 ZINC000594657471 459122817 /nfs/dbraw/zinc/12/28/17/459122817.db2.gz BPRQOLUFNSALOZ-UHFFFAOYSA-N 1 2 334.427 3.459 20 30 EGEDLO COC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCc1ccc(C#N)cc1 ZINC000594710228 459136408 /nfs/dbraw/zinc/13/64/08/459136408.db2.gz JREUPTVQHWZMKG-GOSISDBHSA-N 1 2 342.826 3.128 20 30 EGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)[C@]1(C#N)CC12CCCC2 ZINC000590671392 459177419 /nfs/dbraw/zinc/17/74/19/459177419.db2.gz AKBYEZCKTQNSHI-OAQYLSRUSA-N 1 2 348.450 3.364 20 30 EGEDLO N#CCN1CCC(Nc2[nH+]ccc3cc(C(F)(F)F)ccc32)CC1 ZINC000590690012 459183550 /nfs/dbraw/zinc/18/35/50/459183550.db2.gz WISTVMXAXSWJOU-UHFFFAOYSA-N 1 2 334.345 3.075 20 30 EGEDLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)nc1 ZINC000590754376 459205620 /nfs/dbraw/zinc/20/56/20/459205620.db2.gz CEQUOVPDRICMMF-KRWDZBQOSA-N 1 2 336.439 3.157 20 30 EGEDLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)nc1 ZINC000590754376 459205625 /nfs/dbraw/zinc/20/56/25/459205625.db2.gz CEQUOVPDRICMMF-KRWDZBQOSA-N 1 2 336.439 3.157 20 30 EGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC000567995218 459205867 /nfs/dbraw/zinc/20/58/67/459205867.db2.gz DZNSYELQWLFEHC-RBBKRZOGSA-N 1 2 349.478 3.363 20 30 EGEDLO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c2[nH+]ccn21 ZINC000580995143 459266478 /nfs/dbraw/zinc/26/64/78/459266478.db2.gz KQDLVULICMPXFC-LAVFITLUSA-N 1 2 349.438 3.370 20 30 EGEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000568649622 459323700 /nfs/dbraw/zinc/32/37/00/459323700.db2.gz NDFRIOYVBDGXKI-OAHLLOKOSA-N 1 2 345.830 3.498 20 30 EGEDLO C[C@H]1C[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c2[nH+]ccn21 ZINC000568727353 459334714 /nfs/dbraw/zinc/33/47/14/459334714.db2.gz BYWMHTZVIMPKMV-SUMWQHHRSA-N 1 2 335.411 3.135 20 30 EGEDLO C=CC[N@H+](Cc1cnc(N2CCCC2)nc1)Cc1ccccc1F ZINC000536647387 459361193 /nfs/dbraw/zinc/36/11/93/459361193.db2.gz PUHGXNQLUHNCGB-UHFFFAOYSA-N 1 2 326.419 3.404 20 30 EGEDLO C=CC[N@@H+](Cc1cnc(N2CCCC2)nc1)Cc1ccccc1F ZINC000536647387 459361199 /nfs/dbraw/zinc/36/11/99/459361199.db2.gz PUHGXNQLUHNCGB-UHFFFAOYSA-N 1 2 326.419 3.404 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595617148 459369791 /nfs/dbraw/zinc/36/97/91/459369791.db2.gz VFYNCGLGOUMSCF-OLZOCXBDSA-N 1 2 330.819 3.164 20 30 EGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595617148 459369796 /nfs/dbraw/zinc/36/97/96/459369796.db2.gz VFYNCGLGOUMSCF-OLZOCXBDSA-N 1 2 330.819 3.164 20 30 EGEDLO C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000595671403 459390250 /nfs/dbraw/zinc/39/02/50/459390250.db2.gz FVVUHVLRJKHMGX-BLLLJJGKSA-N 1 2 337.261 3.304 20 30 EGEDLO C[C@@H](CO)[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000595671403 459390254 /nfs/dbraw/zinc/39/02/54/459390254.db2.gz FVVUHVLRJKHMGX-BLLLJJGKSA-N 1 2 337.261 3.304 20 30 EGEDLO CC(C)S(=O)(=O)c1ccc(C[NH+]2CCC(CCC#N)CC2)cc1 ZINC000569481884 459460170 /nfs/dbraw/zinc/46/01/70/459460170.db2.gz TUSXYFNKUILVKH-UHFFFAOYSA-N 1 2 334.485 3.384 20 30 EGEDLO C=CCCCCCN(C)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000525790443 459494327 /nfs/dbraw/zinc/49/43/27/459494327.db2.gz NCTQUSRBHDVDMV-UHFFFAOYSA-N 1 2 342.443 3.025 20 30 EGEDLO CC(C)CCN(CCC#N)C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000583331232 459522942 /nfs/dbraw/zinc/52/29/42/459522942.db2.gz XHCDCWJTLANSFI-ZDUSSCGKSA-N 1 2 344.381 3.244 20 30 EGEDLO Cc1nc(N[C@@H](C)c2cccc(C#N)c2)c(Br)c(C)[nH+]1 ZINC000596144614 459535576 /nfs/dbraw/zinc/53/55/76/459535576.db2.gz LZEZLERXZTYEKS-VIFPVBQESA-N 1 2 331.217 3.323 20 30 EGEDLO C=C(C)CNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000488581928 459546747 /nfs/dbraw/zinc/54/67/47/459546747.db2.gz XLDQWHSZCNQLPJ-HNNXBMFYSA-N 1 2 339.842 3.319 20 30 EGEDLO C=C(C)CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000488581928 459546753 /nfs/dbraw/zinc/54/67/53/459546753.db2.gz XLDQWHSZCNQLPJ-HNNXBMFYSA-N 1 2 339.842 3.319 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC2(CCCC2)O1 ZINC000592191426 459548036 /nfs/dbraw/zinc/54/80/36/459548036.db2.gz CFOWJQZVUTYQBN-CQSZACIVSA-N 1 2 338.411 3.142 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC2(CCCC2)O1 ZINC000592191426 459548038 /nfs/dbraw/zinc/54/80/38/459548038.db2.gz CFOWJQZVUTYQBN-CQSZACIVSA-N 1 2 338.411 3.142 20 30 EGEDLO C=CCCCS(=O)(=O)NCc1ccc2c(c1)[nH+]c(CC)n2C1CC1 ZINC000489870200 459571886 /nfs/dbraw/zinc/57/18/86/459571886.db2.gz DDTFQYITJISYMU-UHFFFAOYSA-N 1 2 347.484 3.319 20 30 EGEDLO N#Cc1ccncc1N1CC[NH+](Cc2cc(F)ccc2Cl)CC1 ZINC000583670197 459578099 /nfs/dbraw/zinc/57/80/99/459578099.db2.gz DIBAAPQVIFPGPE-UHFFFAOYSA-N 1 2 330.794 3.068 20 30 EGEDLO C#CC[N@@H+](Cc1csc(N(C(C)=O)C2CC2)n1)C1CCCCC1 ZINC000490672065 459583494 /nfs/dbraw/zinc/58/34/94/459583494.db2.gz WMJHIYWTMLBAEH-UHFFFAOYSA-N 1 2 331.485 3.426 20 30 EGEDLO C#CC[N@H+](Cc1csc(N(C(C)=O)C2CC2)n1)C1CCCCC1 ZINC000490672065 459583499 /nfs/dbraw/zinc/58/34/99/459583499.db2.gz WMJHIYWTMLBAEH-UHFFFAOYSA-N 1 2 331.485 3.426 20 30 EGEDLO C#CCN(Cc1ccccc1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000491192972 459604181 /nfs/dbraw/zinc/60/41/81/459604181.db2.gz UPNAVHTUIXSWEY-UHFFFAOYSA-N 1 2 344.418 3.217 20 30 EGEDLO C#C[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000491543794 459636395 /nfs/dbraw/zinc/63/63/95/459636395.db2.gz ILRNDYWKFSQTLF-MRXNPFEDSA-N 1 2 342.830 3.327 20 30 EGEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(CSC2CCCC2)c1 ZINC000573199959 459640221 /nfs/dbraw/zinc/64/02/21/459640221.db2.gz PSZLWVZEQJIICA-SFHVURJKSA-N 1 2 347.528 3.481 20 30 EGEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(CSC2CCCC2)c1 ZINC000573199959 459640225 /nfs/dbraw/zinc/64/02/25/459640225.db2.gz PSZLWVZEQJIICA-SFHVURJKSA-N 1 2 347.528 3.481 20 30 EGEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@@H]2CCc3c2cccc3Cl)n1 ZINC000491642249 459645487 /nfs/dbraw/zinc/64/54/87/459645487.db2.gz ANDRVIAZRFQASK-LJQANCHMSA-N 1 2 343.858 3.306 20 30 EGEDLO C#CCn1ccc(C[N@H+](CCOC)[C@@H]2CCc3c2cccc3Cl)n1 ZINC000491642249 459645489 /nfs/dbraw/zinc/64/54/89/459645489.db2.gz ANDRVIAZRFQASK-LJQANCHMSA-N 1 2 343.858 3.306 20 30 EGEDLO C#C[C@H]([NH2+]Cc1cnc(N2CCCC2)nc1)c1ccc(Cl)cc1 ZINC000491661760 459648985 /nfs/dbraw/zinc/64/89/85/459648985.db2.gz PONWVIGEJVTVDA-KRWDZBQOSA-N 1 2 326.831 3.194 20 30 EGEDLO Cc1cc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)ccn1 ZINC000527539662 459658707 /nfs/dbraw/zinc/65/87/07/459658707.db2.gz NSWPKMRNYMIMMR-IBGZPJMESA-N 1 2 340.858 3.426 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H](OC(C)C)C2)c1C#N ZINC000593056076 459758390 /nfs/dbraw/zinc/75/83/90/459758390.db2.gz XJIDTKMIROSYFP-GOSISDBHSA-N 1 2 338.455 3.442 20 30 EGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](OC(C)C)C2)c1C#N ZINC000593056076 459758392 /nfs/dbraw/zinc/75/83/92/459758392.db2.gz XJIDTKMIROSYFP-GOSISDBHSA-N 1 2 338.455 3.442 20 30 EGEDLO CC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC(CCC#N)CC2)c1 ZINC000573960923 459762589 /nfs/dbraw/zinc/76/25/89/459762589.db2.gz JLOIMMOOPYQNQZ-AWEZNQCLSA-N 1 2 327.428 3.232 20 30 EGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000565540586 459785820 /nfs/dbraw/zinc/78/58/20/459785820.db2.gz AOYBLQVBWFABOA-INIZCTEOSA-N 1 2 329.448 3.217 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CC(C(F)(F)F)C1 ZINC000565698125 459787500 /nfs/dbraw/zinc/78/75/00/459787500.db2.gz VFBZHNZNLHFFAO-LLVKDONJSA-N 1 2 332.391 3.145 20 30 EGEDLO CC[N@H+](CC(=O)N1CCC(CC#N)CC1)Cc1ccccc1Cl ZINC000574544554 459832386 /nfs/dbraw/zinc/83/23/86/459832386.db2.gz SVVGFQGTQNVFOI-UHFFFAOYSA-N 1 2 333.863 3.314 20 30 EGEDLO CC[N@@H+](CC(=O)N1CCC(CC#N)CC1)Cc1ccccc1Cl ZINC000574544554 459832391 /nfs/dbraw/zinc/83/23/91/459832391.db2.gz SVVGFQGTQNVFOI-UHFFFAOYSA-N 1 2 333.863 3.314 20 30 EGEDLO C=CCOc1cccc(C[NH2+][C@H](C(=O)OC)[C@H]2CCC[C@H](OC)C2)c1 ZINC000566352601 459847899 /nfs/dbraw/zinc/84/78/99/459847899.db2.gz UKIHGNUCTQCRBS-LNLFQRSKSA-N 1 2 347.455 3.088 20 30 EGEDLO C=CCC1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCC1 ZINC000598296453 459851485 /nfs/dbraw/zinc/85/14/85/459851485.db2.gz NIMWPQOTKNINJW-UHFFFAOYSA-N 1 2 340.383 3.399 20 30 EGEDLO N#C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1c(Cl)cccc1Cl ZINC000597164864 459859869 /nfs/dbraw/zinc/85/98/69/459859869.db2.gz DQHGZTKOLIEHCK-YGRLFVJLSA-N 1 2 349.221 3.133 20 30 EGEDLO CC[C@@H](C#N)C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000593463452 459896233 /nfs/dbraw/zinc/89/62/33/459896233.db2.gz VXIJUSUQAPDZSF-AWEZNQCLSA-N 1 2 328.441 3.263 20 30 EGEDLO CC[C@@H](C#N)C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000593463452 459896236 /nfs/dbraw/zinc/89/62/36/459896236.db2.gz VXIJUSUQAPDZSF-AWEZNQCLSA-N 1 2 328.441 3.263 20 30 EGEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000609486008 459970222 /nfs/dbraw/zinc/97/02/22/459970222.db2.gz BQLKAPDMWJHWJJ-INIZCTEOSA-N 1 2 336.277 3.115 20 30 EGEDLO C[C@@H](CNc1cc(Br)c(C#N)cc1F)Cn1cc[nH+]c1 ZINC000589108516 460031118 /nfs/dbraw/zinc/03/11/18/460031118.db2.gz WFJAWVFMJDEMDP-JTQLQIEISA-N 1 2 337.196 3.405 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](OC3CCC3)C2)cc1Cl ZINC000594026751 460061569 /nfs/dbraw/zinc/06/15/69/460061569.db2.gz OFZORCQEWVBSAM-INIZCTEOSA-N 1 2 347.846 3.184 20 30 EGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](OC3CCC3)C2)cc1Cl ZINC000594026751 460061574 /nfs/dbraw/zinc/06/15/74/460061574.db2.gz OFZORCQEWVBSAM-INIZCTEOSA-N 1 2 347.846 3.184 20 30 EGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(O)cc3)CC2)c(Cl)c1 ZINC000618616391 460087292 /nfs/dbraw/zinc/08/72/92/460087292.db2.gz WGFWITBCQBSCNW-UHFFFAOYSA-N 1 2 327.815 3.239 20 30 EGEDLO COC(=O)c1ccc(Nc2ccc(NC3CCCC3)[nH+]c2)c(C#N)n1 ZINC000576241082 460100665 /nfs/dbraw/zinc/10/06/65/460100665.db2.gz QIEVKUIVDBTQBJ-UHFFFAOYSA-N 1 2 337.383 3.233 20 30 EGEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597942009 460120627 /nfs/dbraw/zinc/12/06/27/460120627.db2.gz VVYXEZLYWIVTOY-INIZCTEOSA-N 1 2 348.450 3.048 20 30 EGEDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618730961 460146426 /nfs/dbraw/zinc/14/64/26/460146426.db2.gz MUOQVICVSKPELM-KRWDZBQOSA-N 1 2 344.418 3.274 20 30 EGEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000602867472 460164649 /nfs/dbraw/zinc/16/46/49/460164649.db2.gz CLCYIQMGFKGHBD-JXFKEZNVSA-N 1 2 333.435 3.052 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505565 460168365 /nfs/dbraw/zinc/16/83/65/460168365.db2.gz PPEDJKOUTJCILG-RHSMWYFYSA-N 1 2 329.419 3.304 20 30 EGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505565 460168366 /nfs/dbraw/zinc/16/83/66/460168366.db2.gz PPEDJKOUTJCILG-RHSMWYFYSA-N 1 2 329.419 3.304 20 30 EGEDLO Cc1oc(NC(=O)C[NH+]2CCC3(CCSCC3)CC2)c(C#N)c1C ZINC000602946172 460196572 /nfs/dbraw/zinc/19/65/72/460196572.db2.gz KPWYUKXGWDIOKA-UHFFFAOYSA-N 1 2 347.484 3.316 20 30 EGEDLO C=CCCn1cc(C[NH+]2CCC(Oc3cccc(F)c3)CC2)nn1 ZINC000625628671 460221261 /nfs/dbraw/zinc/22/12/61/460221261.db2.gz YDQJPSXLSUKMBC-UHFFFAOYSA-N 1 2 330.407 3.037 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCOC[C@@H]1C ZINC000610990792 460273891 /nfs/dbraw/zinc/27/38/91/460273891.db2.gz NCSAYTAUNSZNGC-LSDHHAIUSA-N 1 2 347.484 3.130 20 30 EGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCOC[C@@H]1C ZINC000610990792 460273894 /nfs/dbraw/zinc/27/38/94/460273894.db2.gz NCSAYTAUNSZNGC-LSDHHAIUSA-N 1 2 347.484 3.130 20 30 EGEDLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000611052230 460284285 /nfs/dbraw/zinc/28/42/85/460284285.db2.gz HGXAZYJSJBVBHZ-HNNXBMFYSA-N 1 2 326.425 3.105 20 30 EGEDLO C[N@H+]1CCCC[C@H]1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000611052230 460284288 /nfs/dbraw/zinc/28/42/88/460284288.db2.gz HGXAZYJSJBVBHZ-HNNXBMFYSA-N 1 2 326.425 3.105 20 30 EGEDLO N#Cc1cnc2c(F)ccc(F)c2c1NCCCNc1cccc[nH+]1 ZINC000611370240 460346652 /nfs/dbraw/zinc/34/66/52/460346652.db2.gz JPCRWCFHXMTLDL-UHFFFAOYSA-N 1 2 339.349 3.116 20 30 EGEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000604122631 460381841 /nfs/dbraw/zinc/38/18/41/460381841.db2.gz XAANVERWBFZKRM-ZDUSSCGKSA-N 1 2 340.402 3.446 20 30 EGEDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000611516872 460384547 /nfs/dbraw/zinc/38/45/47/460384547.db2.gz ZFHAQMIYBSDRDB-YJBOKZPZSA-N 1 2 330.432 3.130 20 30 EGEDLO Cc1nc(CC[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cs1 ZINC000611553339 460395368 /nfs/dbraw/zinc/39/53/68/460395368.db2.gz XBPZLHVOUAOLJM-SFHVURJKSA-N 1 2 344.459 3.016 20 30 EGEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(F)cc2C(F)(F)F)nn1 ZINC000624004041 460817901 /nfs/dbraw/zinc/81/79/01/460817901.db2.gz TVHHZPDLCQCMFV-SNVBAGLBSA-N 1 2 328.313 3.473 20 30 EGEDLO CC#CC[NH2+]Cc1cn([C@H](CC)c2ccc(Br)cc2)nn1 ZINC000641134241 461136843 /nfs/dbraw/zinc/13/68/43/461136843.db2.gz JKVDQIYTKXACPC-MRXNPFEDSA-N 1 2 347.260 3.153 20 30 EGEDLO C=CCn1cc(C[NH2+]Cc2cnc(-c3ccc(C)c(C)c3)s2)nn1 ZINC000655799876 461462623 /nfs/dbraw/zinc/46/26/23/461462623.db2.gz QHBAQBSRUPUHFM-UHFFFAOYSA-N 1 2 339.468 3.494 20 30 EGEDLO C=CCCn1cc(C[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)nn1 ZINC000653483365 461666762 /nfs/dbraw/zinc/66/67/62/461666762.db2.gz ITGZEWAHHQGPGK-UHFFFAOYSA-N 1 2 340.349 3.385 20 30 EGEDLO C=CCCn1cc(C[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)nn1 ZINC000653483365 461666767 /nfs/dbraw/zinc/66/67/67/461666767.db2.gz ITGZEWAHHQGPGK-UHFFFAOYSA-N 1 2 340.349 3.385 20 30 EGEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)nn1 ZINC000653587052 461743575 /nfs/dbraw/zinc/74/35/75/461743575.db2.gz NREXPMCQEUFKLT-GOSISDBHSA-N 1 2 342.418 3.231 20 30 EGEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)nn1 ZINC000653587052 461743580 /nfs/dbraw/zinc/74/35/80/461743580.db2.gz NREXPMCQEUFKLT-GOSISDBHSA-N 1 2 342.418 3.231 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000660709681 461934163 /nfs/dbraw/zinc/93/41/63/461934163.db2.gz AEIHIKNVTCTCGZ-CYBMUJFWSA-N 1 2 346.862 3.410 20 30 EGEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000660709681 461934168 /nfs/dbraw/zinc/93/41/68/461934168.db2.gz AEIHIKNVTCTCGZ-CYBMUJFWSA-N 1 2 346.862 3.410 20 30 EGEDLO COCC#CC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)O[C@@H](C)C1 ZINC000644761890 462064805 /nfs/dbraw/zinc/06/48/05/462064805.db2.gz RHLIJAZYLGHXAS-BBRMVZONSA-N 1 2 327.346 3.117 20 30 EGEDLO COCC#CC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)O[C@@H](C)C1 ZINC000644761890 462064812 /nfs/dbraw/zinc/06/48/12/462064812.db2.gz RHLIJAZYLGHXAS-BBRMVZONSA-N 1 2 327.346 3.117 20 30 EGEDLO COC[C@H](C)n1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c1C ZINC000661150826 462125147 /nfs/dbraw/zinc/12/51/47/462125147.db2.gz SHFIEEDKMOHJDJ-RDJZCZTQSA-N 1 2 331.460 3.121 20 30 EGEDLO COC[C@H](C)n1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c1C ZINC000661150826 462125151 /nfs/dbraw/zinc/12/51/51/462125151.db2.gz SHFIEEDKMOHJDJ-RDJZCZTQSA-N 1 2 331.460 3.121 20 30 EGEDLO C=CC[N@@H+](Cc1nc(-c2ccc(OCC)cc2)no1)[C@@H](C)COC ZINC000661247645 462169977 /nfs/dbraw/zinc/16/99/77/462169977.db2.gz PZSXOJQRYHUTAW-AWEZNQCLSA-N 1 2 331.416 3.158 20 30 EGEDLO C=CC[N@H+](Cc1nc(-c2ccc(OCC)cc2)no1)[C@@H](C)COC ZINC000661247645 462169980 /nfs/dbraw/zinc/16/99/80/462169980.db2.gz PZSXOJQRYHUTAW-AWEZNQCLSA-N 1 2 331.416 3.158 20 30 EGEDLO C=C(CNC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F)c1ccccc1 ZINC000655079475 462474424 /nfs/dbraw/zinc/47/44/24/462474424.db2.gz YHUCMBQKRSNUKP-AWEZNQCLSA-N 1 2 337.345 3.286 20 30 EGEDLO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000186923651 527514181 /nfs/dbraw/zinc/51/41/81/527514181.db2.gz IGYSWVJAGSBXNQ-CQSZACIVSA-N 1 2 333.863 3.196 20 30 EGEDLO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000186923651 527514188 /nfs/dbraw/zinc/51/41/88/527514188.db2.gz IGYSWVJAGSBXNQ-CQSZACIVSA-N 1 2 333.863 3.196 20 30 EGEDLO CC[N@H+](CC#Cc1ccc(F)cc1)CC(=O)Nc1ccccc1OC ZINC000178533671 527879450 /nfs/dbraw/zinc/87/94/50/527879450.db2.gz QLOSSELGTABXOM-UHFFFAOYSA-N 1 2 340.398 3.146 20 30 EGEDLO CC[N@@H+](CC#Cc1ccc(F)cc1)CC(=O)Nc1ccccc1OC ZINC000178533671 527879456 /nfs/dbraw/zinc/87/94/56/527879456.db2.gz QLOSSELGTABXOM-UHFFFAOYSA-N 1 2 340.398 3.146 20 30 EGEDLO COc1ccc(C#N)cc1C[N@@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000351059941 536643324 /nfs/dbraw/zinc/64/33/24/536643324.db2.gz CDYRCWYJCQJBSP-UHFFFAOYSA-N 1 2 344.418 3.311 20 30 EGEDLO COc1ccc(C#N)cc1C[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000351059941 536643330 /nfs/dbraw/zinc/64/33/30/536643330.db2.gz CDYRCWYJCQJBSP-UHFFFAOYSA-N 1 2 344.418 3.311 20 30 EGEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+]CCOC2CCCCC2)C1 ZINC000329655706 547503454 /nfs/dbraw/zinc/50/34/54/547503454.db2.gz FVZSRJCSSHXIOD-MRXNPFEDSA-N 1 2 348.491 3.346 20 30 EGEDLO CCc1[nH+]ccn1[C@H]1CCCN(C([O-])=[NH+]CCOC2CCCCC2)C1 ZINC000329655701 547504099 /nfs/dbraw/zinc/50/40/99/547504099.db2.gz FVZSRJCSSHXIOD-INIZCTEOSA-N 1 2 348.491 3.346 20 30 EGEDLO CC[C@H](C)n1ncc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1C ZINC000330141559 547514208 /nfs/dbraw/zinc/51/42/08/547514208.db2.gz XQXZGXNXKSCLDH-LBPRGKRZSA-N 1 2 330.436 3.311 20 30 EGEDLO CC[C@H](C)n1ncc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1C ZINC000330141559 547514211 /nfs/dbraw/zinc/51/42/11/547514211.db2.gz XQXZGXNXKSCLDH-LBPRGKRZSA-N 1 2 330.436 3.311 20 30 EGEDLO C=CC[C@H](CC)NC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000684928416 550385497 /nfs/dbraw/zinc/38/54/97/550385497.db2.gz JLBYACYEIJOIFM-SFHVURJKSA-N 1 2 345.487 3.186 20 30 EGEDLO CN(C)c1ccc(C=[NH+]N(C)C(=S)NCc2ccccc2)cc1F ZINC000727648628 574680882 /nfs/dbraw/zinc/68/08/82/574680882.db2.gz NWBBYFSQXDMONE-UHFFFAOYSA-N 1 2 344.459 3.232 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+]2CCC[C@@H]2CC)c1=S ZINC000727822672 574692141 /nfs/dbraw/zinc/69/21/41/574692141.db2.gz BARPFSKOJBUIRV-HNNXBMFYSA-N 1 2 329.473 3.494 20 30 EGEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2CCC[C@@H]2CC)c1=S ZINC000727822672 574692142 /nfs/dbraw/zinc/69/21/42/574692142.db2.gz BARPFSKOJBUIRV-HNNXBMFYSA-N 1 2 329.473 3.494 20 30 EGEDLO C#Cc1ccc(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)cn1 ZINC000728801218 574772459 /nfs/dbraw/zinc/77/24/59/574772459.db2.gz QKUBRTNBVVRQFU-UHFFFAOYSA-N 1 2 330.391 3.391 20 30 EGEDLO Fc1ccc(-n2cc(C=NNc3cc[nH+]c4ccccc34)cn2)cc1 ZINC000730147712 574925331 /nfs/dbraw/zinc/92/53/31/574925331.db2.gz IVWRKHYTYDEWDY-UHFFFAOYSA-N 1 2 331.354 3.428 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc2c(s1)C[C@@H](CCC)CC2 ZINC000730284151 574966015 /nfs/dbraw/zinc/96/60/15/574966015.db2.gz KWAGCMICDJOIMI-ZFWWWQNUSA-N 1 2 331.485 3.084 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc2c(s1)C[C@@H](CCC)CC2 ZINC000730284151 574966017 /nfs/dbraw/zinc/96/60/17/574966017.db2.gz KWAGCMICDJOIMI-ZFWWWQNUSA-N 1 2 331.485 3.084 20 30 EGEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000735070449 575595324 /nfs/dbraw/zinc/59/53/24/575595324.db2.gz OEMMLWLTVFAGKT-FQEVSTJZSA-N 1 2 341.455 3.149 20 30 EGEDLO CCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000735070449 575595326 /nfs/dbraw/zinc/59/53/26/575595326.db2.gz OEMMLWLTVFAGKT-FQEVSTJZSA-N 1 2 341.455 3.149 20 30 EGEDLO CC(C)c1nc(C#N)c(N=NCc2c[nH+]c3ccc(Cl)cn23)o1 ZINC000737433474 576228427 /nfs/dbraw/zinc/22/84/27/576228427.db2.gz FFEUFIUAJSPCCM-UHFFFAOYSA-N 1 2 328.763 3.417 20 30 EGEDLO CCCCCCCC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000740716327 576620053 /nfs/dbraw/zinc/62/00/53/576620053.db2.gz AYPQCRPKJOGSHY-UHFFFAOYSA-N 1 2 325.522 3.373 20 30 EGEDLO C=CCn1c(C)cc(C(=O)COC(=O)[C@@H](C)[NH+]2CCCCCC2)c1C ZINC000741028273 576649144 /nfs/dbraw/zinc/64/91/44/576649144.db2.gz DYARZRHAQQFALM-QGZVFWFLSA-N 1 2 346.471 3.281 20 30 EGEDLO C#CCOc1ccc(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000741669570 576709961 /nfs/dbraw/zinc/70/99/61/576709961.db2.gz PENROXBPTZXKCV-UHFFFAOYSA-N 1 2 349.434 3.014 20 30 EGEDLO C#CCOc1ccc(C(=O)NCc2ccc[nH+]c2N2CCCCC2)cc1 ZINC000741677207 576710382 /nfs/dbraw/zinc/71/03/82/576710382.db2.gz WIQWGQPCILCOHE-UHFFFAOYSA-N 1 2 349.434 3.014 20 30 EGEDLO C#CC[N@H+](CC(=O)N1CCCc2ccccc21)Cc1ccc(F)cc1 ZINC000744211389 576823149 /nfs/dbraw/zinc/82/31/49/576823149.db2.gz MKRDAGPCBJIPAI-UHFFFAOYSA-N 1 2 336.410 3.240 20 30 EGEDLO C#CC[N@@H+](CC(=O)N1CCCc2ccccc21)Cc1ccc(F)cc1 ZINC000744211389 576823150 /nfs/dbraw/zinc/82/31/50/576823150.db2.gz MKRDAGPCBJIPAI-UHFFFAOYSA-N 1 2 336.410 3.240 20 30 EGEDLO CSc1cccc(NC(=O)[C@@H](C)O[NH+]=C(N)c2ccccc2)c1 ZINC000021387595 1291198351 /nfs/dbraw/zinc/19/83/51/1291198351.db2.gz FIXFTHKLYMCGGB-GFCCVEGCSA-N 1 2 329.425 3.073 20 30 EGEDLO C#CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC000052845752 1291712634 /nfs/dbraw/zinc/71/26/34/1291712634.db2.gz FWBXZRMQKQIAMJ-HXUWFJFHSA-N 1 2 329.403 3.119 20 30 EGEDLO C#CC[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC000052845752 1291712640 /nfs/dbraw/zinc/71/26/40/1291712640.db2.gz FWBXZRMQKQIAMJ-HXUWFJFHSA-N 1 2 329.403 3.119 20 30 EGEDLO Cc1cc(C)c(NC(=O)[C@@H](C)O[NH+]=C(N)Cc2ccccc2)c(C)c1 ZINC000072001877 1292272567 /nfs/dbraw/zinc/27/25/67/1292272567.db2.gz ILPIVGMCLKZGJI-MRXNPFEDSA-N 1 2 339.439 3.470 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)Cc1c(C)noc1C ZINC000072514212 1292278601 /nfs/dbraw/zinc/27/86/01/1292278601.db2.gz ZDSYIEUJLWOVMF-AWEZNQCLSA-N 1 2 347.484 3.388 20 30 EGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)Cc1c(C)noc1C ZINC000072514212 1292278602 /nfs/dbraw/zinc/27/86/02/1292278602.db2.gz ZDSYIEUJLWOVMF-AWEZNQCLSA-N 1 2 347.484 3.388 20 30 EGEDLO Cc1ccccc1[C@@H]1CC(=O)N(C[N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000076919007 1292449822 /nfs/dbraw/zinc/44/98/22/1292449822.db2.gz AQPPAIPZZWGFMV-LJQANCHMSA-N 1 2 333.435 3.272 20 30 EGEDLO Cc1ccccc1[C@@H]1CC(=O)N(C[N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000076919007 1292449826 /nfs/dbraw/zinc/44/98/26/1292449826.db2.gz AQPPAIPZZWGFMV-LJQANCHMSA-N 1 2 333.435 3.272 20 30 EGEDLO C=CCn1c(C)nn(C[N@@H+](C)CCCc2ccc(OC)cc2)c1=S ZINC000125275607 1293502301 /nfs/dbraw/zinc/50/23/01/1293502301.db2.gz ONJASBJNANYIMF-UHFFFAOYSA-N 1 2 346.500 3.439 20 30 EGEDLO C=CCn1c(C)nn(C[N@H+](C)CCCc2ccc(OC)cc2)c1=S ZINC000125275607 1293502305 /nfs/dbraw/zinc/50/23/05/1293502305.db2.gz ONJASBJNANYIMF-UHFFFAOYSA-N 1 2 346.500 3.439 20 30 EGEDLO COc1ccc(CC(N)=[NH+]OCc2ncc(-c3cccs3)o2)cc1 ZINC000131206116 1293682813 /nfs/dbraw/zinc/68/28/13/1293682813.db2.gz HHXRCFVXVSSSAQ-UHFFFAOYSA-N 1 2 343.408 3.443 20 30 EGEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccc(N2CCCC2=O)cc1 ZINC000133177469 1293739058 /nfs/dbraw/zinc/73/90/58/1293739058.db2.gz QXAOKSWAJBOPSX-ZHACJKMWSA-N 1 2 331.375 3.357 20 30 EGEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccc4c(c3)CCC(=O)N4C)n2c1 ZINC000162695044 1294320175 /nfs/dbraw/zinc/32/01/75/1294320175.db2.gz LUVICMSLGNLOAC-SOFGYWHQSA-N 1 2 345.402 3.448 20 30 EGEDLO N#C[C@H](COC(=O)c1ccc(-n2cc[nH+]c2)cc1)Cc1cccs1 ZINC000181201926 1294947631 /nfs/dbraw/zinc/94/76/31/1294947631.db2.gz LZYWCZDIWNXCSS-CQSZACIVSA-N 1 2 337.404 3.473 20 30 EGEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccccc1SC(F)F ZINC000191103463 1295648847 /nfs/dbraw/zinc/64/88/47/1295648847.db2.gz ZTIRMSNYAZIYQR-UHFFFAOYSA-N 1 2 330.400 3.074 20 30 EGEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccccc1SC(F)F ZINC000191103463 1295648856 /nfs/dbraw/zinc/64/88/56/1295648856.db2.gz ZTIRMSNYAZIYQR-UHFFFAOYSA-N 1 2 330.400 3.074 20 30 EGEDLO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(C#N)s2)CC1 ZINC000870123943 1295682037 /nfs/dbraw/zinc/68/20/37/1295682037.db2.gz JRYLZWNKLOJXKW-AWEZNQCLSA-N 1 2 325.437 3.139 20 30 EGEDLO COc1ccc(C(N)=[NH+]OCC(=O)Nc2ccccc2C(C)C)cc1 ZINC000194261055 1295962727 /nfs/dbraw/zinc/96/27/27/1295962727.db2.gz LCQUJJCARCOIOF-UHFFFAOYSA-N 1 2 341.411 3.094 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000248389001 1296412499 /nfs/dbraw/zinc/41/24/99/1296412499.db2.gz FTNDEBVGUOWNGC-MQFVPBGYSA-N 1 2 339.395 3.240 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000248389001 1296412504 /nfs/dbraw/zinc/41/25/04/1296412504.db2.gz FTNDEBVGUOWNGC-MQFVPBGYSA-N 1 2 339.395 3.240 20 30 EGEDLO CCCCCCCS(=O)(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000249528841 1296446517 /nfs/dbraw/zinc/44/65/17/1296446517.db2.gz JFWDEWNMUDQSTG-HOTGVXAUSA-N 1 2 327.494 3.066 20 30 EGEDLO C=CCn1c(C)cc(C(O)=CONC(=[NH2+])c2cccc(F)c2)c1C ZINC000725793501 1298362570 /nfs/dbraw/zinc/36/25/70/1298362570.db2.gz DUUNTRXPWZOESN-UHFFFAOYSA-N 1 2 329.375 3.160 20 30 EGEDLO C#CC[N@@H+](CC)CC(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000746457091 1298590770 /nfs/dbraw/zinc/59/07/70/1298590770.db2.gz WYOJPAIDTCLHMR-UHFFFAOYSA-N 1 2 336.391 3.488 20 30 EGEDLO C#CC[N@H+](CC)CC(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000746457091 1298590781 /nfs/dbraw/zinc/59/07/81/1298590781.db2.gz WYOJPAIDTCLHMR-UHFFFAOYSA-N 1 2 336.391 3.488 20 30 EGEDLO C[C@H](c1cccc(NC(=O)C#Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000747381863 1298772792 /nfs/dbraw/zinc/77/27/92/1298772792.db2.gz WUJROACXVJPERQ-QGZVFWFLSA-N 1 2 334.419 3.070 20 30 EGEDLO Cc1ccc(NC(=O)c2cc3ccccc3n2CC#N)c(N(C)C)[nH+]1 ZINC000749986865 1299318761 /nfs/dbraw/zinc/31/87/61/1299318761.db2.gz MJCPITSYZQGZAT-UHFFFAOYSA-N 1 2 333.395 3.187 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2cccc(OCC)c2)n1 ZINC000754512772 1300156438 /nfs/dbraw/zinc/15/64/38/1300156438.db2.gz BIVQQYVBTJWGDA-IBGZPJMESA-N 1 2 349.434 3.183 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2cccc(OCC)c2)n1 ZINC000754512772 1300156440 /nfs/dbraw/zinc/15/64/40/1300156440.db2.gz BIVQQYVBTJWGDA-IBGZPJMESA-N 1 2 349.434 3.183 20 30 EGEDLO N#Cc1cccn(C[N@@H+]2Cc3ccccc3C[C@H]2c2ccccc2)c1=O ZINC000758222679 1300820913 /nfs/dbraw/zinc/82/09/13/1300820913.db2.gz HHDCNPLQKQAUFA-NRFANRHFSA-N 1 2 341.414 3.477 20 30 EGEDLO N#Cc1cccn(C[N@H+]2Cc3ccccc3C[C@H]2c2ccccc2)c1=O ZINC000758222679 1300820924 /nfs/dbraw/zinc/82/09/24/1300820924.db2.gz HHDCNPLQKQAUFA-NRFANRHFSA-N 1 2 341.414 3.477 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(Cc2ccccc2)ccc1O ZINC000759743132 1301152462 /nfs/dbraw/zinc/15/24/62/1301152462.db2.gz YPDSZAMYYMEWDC-IBGZPJMESA-N 1 2 334.419 3.019 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Cc2ccccc2)ccc1O ZINC000759743132 1301152465 /nfs/dbraw/zinc/15/24/65/1301152465.db2.gz YPDSZAMYYMEWDC-IBGZPJMESA-N 1 2 334.419 3.019 20 30 EGEDLO CCOc1ccc(/C=[NH+]/CC2CN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000762436009 1301679384 /nfs/dbraw/zinc/67/93/84/1301679384.db2.gz JBMWFQRAFKSIOO-VXLYETTFSA-N 1 2 334.416 3.077 20 30 EGEDLO C#CC[N@@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)C1CC1 ZINC000763955201 1301988493 /nfs/dbraw/zinc/98/84/93/1301988493.db2.gz JTOJPNONLRRSMG-LLVKDONJSA-N 1 2 325.239 3.268 20 30 EGEDLO C#CC[N@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)C1CC1 ZINC000763955201 1301988498 /nfs/dbraw/zinc/98/84/98/1301988498.db2.gz JTOJPNONLRRSMG-LLVKDONJSA-N 1 2 325.239 3.268 20 30 EGEDLO c1ccc(N2CCC(=NNCc3cnc4ccccc4c3)CC2)[nH+]c1 ZINC000764776285 1302134161 /nfs/dbraw/zinc/13/41/61/1302134161.db2.gz VABFVUPPEKBQSU-UHFFFAOYSA-N 1 2 331.423 3.376 20 30 EGEDLO Cc1ccccc1C1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000766620134 1302490522 /nfs/dbraw/zinc/49/05/22/1302490522.db2.gz QMLXWNZGTWPSIS-UHFFFAOYSA-N 1 2 347.462 3.354 20 30 EGEDLO CC(C)(C)OC(=O)NCC[N@H+](Cc1ccccc1)CC1(C#N)CC1 ZINC000767033197 1302567514 /nfs/dbraw/zinc/56/75/14/1302567514.db2.gz BGSCZSSDTQMCIY-UHFFFAOYSA-N 1 2 329.444 3.317 20 30 EGEDLO CC(C)(C)OC(=O)NCC[N@@H+](Cc1ccccc1)CC1(C#N)CC1 ZINC000767033197 1302567522 /nfs/dbraw/zinc/56/75/22/1302567522.db2.gz BGSCZSSDTQMCIY-UHFFFAOYSA-N 1 2 329.444 3.317 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cc(Cl)ccc3O)CC2)cc1 ZINC000768185439 1302848347 /nfs/dbraw/zinc/84/83/47/1302848347.db2.gz PJRXZDHMUMPCGN-UHFFFAOYSA-N 1 2 341.842 3.235 20 30 EGEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1 ZINC000769975410 1303200672 /nfs/dbraw/zinc/20/06/72/1303200672.db2.gz FZKDBDSULPDDKN-APWZRJJASA-N 1 2 349.434 3.219 20 30 EGEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1 ZINC000769975410 1303200678 /nfs/dbraw/zinc/20/06/78/1303200678.db2.gz FZKDBDSULPDDKN-APWZRJJASA-N 1 2 349.434 3.219 20 30 EGEDLO C[C@@H](C(=O)OCC#Cc1ccc(F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000771362147 1303394902 /nfs/dbraw/zinc/39/49/02/1303394902.db2.gz LXSXZGQRDBJDNF-INIZCTEOSA-N 1 2 337.394 3.167 20 30 EGEDLO C[C@@H](C(=O)OCC#Cc1ccc(F)cc1)[N@H+]1CCc2ccccc2C1 ZINC000771362147 1303394907 /nfs/dbraw/zinc/39/49/07/1303394907.db2.gz LXSXZGQRDBJDNF-INIZCTEOSA-N 1 2 337.394 3.167 20 30 EGEDLO C=CC[N@@H+](CN1C(=O)C[C@](CC)(c2ccc(C)cc2)C1=O)C1CC1 ZINC000771639674 1303426610 /nfs/dbraw/zinc/42/66/10/1303426610.db2.gz JCWDMHLSBSHBLI-HXUWFJFHSA-N 1 2 326.440 3.010 20 30 EGEDLO C=CC[N@H+](CN1C(=O)C[C@](CC)(c2ccc(C)cc2)C1=O)C1CC1 ZINC000771639674 1303426613 /nfs/dbraw/zinc/42/66/13/1303426613.db2.gz JCWDMHLSBSHBLI-HXUWFJFHSA-N 1 2 326.440 3.010 20 30 EGEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2ccc(CCCC)cc2)CC1 ZINC000772108447 1303486961 /nfs/dbraw/zinc/48/69/61/1303486961.db2.gz CEOOTVHBBYSKGS-UHFFFAOYSA-N 1 2 341.451 3.100 20 30 EGEDLO C#CCC[NH+]1CCN(C(=O)c2sc(C3CCCCC3)nc2C)CC1 ZINC000775155964 1303916616 /nfs/dbraw/zinc/91/66/16/1303916616.db2.gz NSVZXIUYNRGGNE-UHFFFAOYSA-N 1 2 345.512 3.280 20 30 EGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2ncc3ccccc32)cc1 ZINC000775823688 1304044668 /nfs/dbraw/zinc/04/46/68/1304044668.db2.gz XZJKTXHQCFDJLO-FQEVSTJZSA-N 1 2 344.418 3.062 20 30 EGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2ncc3ccccc32)cc1 ZINC000775823688 1304044673 /nfs/dbraw/zinc/04/46/73/1304044673.db2.gz XZJKTXHQCFDJLO-FQEVSTJZSA-N 1 2 344.418 3.062 20 30 EGEDLO CC(C)(C)c1csc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)c1C#N ZINC000888222153 1304075005 /nfs/dbraw/zinc/07/50/05/1304075005.db2.gz FJRGBIYZHXTPRH-NSHDSACASA-N 1 2 343.456 3.250 20 30 EGEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C2=NCC(C)(C)S2)CC1 ZINC000777834067 1304353048 /nfs/dbraw/zinc/35/30/48/1304353048.db2.gz POSCNPUGJIBNDY-CQSZACIVSA-N 1 2 328.485 3.118 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000779154103 1304535008 /nfs/dbraw/zinc/53/50/08/1304535008.db2.gz OOBCEOGGZRTAKE-UHFFFAOYSA-N 1 2 348.874 3.042 20 30 EGEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000779154103 1304535013 /nfs/dbraw/zinc/53/50/13/1304535013.db2.gz OOBCEOGGZRTAKE-UHFFFAOYSA-N 1 2 348.874 3.042 20 30 EGEDLO COc1c(C)c[nH+]c(CNC(=O)C[C@H](CC#N)c2ccccc2)c1C ZINC000793300736 1309342997 /nfs/dbraw/zinc/34/29/97/1309342997.db2.gz YJPDJYSWTRVMOB-KRWDZBQOSA-N 1 2 337.423 3.411 20 30 EGEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1CC[C@H](CCc2ccccc2)C1=O ZINC000793482936 1309382557 /nfs/dbraw/zinc/38/25/57/1309382557.db2.gz IVDLZOXMMPNBLM-NRFANRHFSA-N 1 2 347.462 3.429 20 30 EGEDLO C[N@H+](Cc1cccc(C#N)c1)CN1CC[C@H](CCc2ccccc2)C1=O ZINC000793482936 1309382570 /nfs/dbraw/zinc/38/25/70/1309382570.db2.gz IVDLZOXMMPNBLM-NRFANRHFSA-N 1 2 347.462 3.429 20 30 EGEDLO Cc1cccn2c(/C=C/C(=O)c3ccccc3-n3ccnn3)c[nH+]c12 ZINC000794730411 1309585489 /nfs/dbraw/zinc/58/54/89/1309585489.db2.gz AXUZAMFGWRPWMF-CMDGGOBGSA-N 1 2 329.363 3.120 20 30 EGEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccccc3-n3ccnn3)n2c1 ZINC000794732592 1309586094 /nfs/dbraw/zinc/58/60/94/1309586094.db2.gz RNQKULNDERLLBM-FPLPWBNLSA-N 1 2 329.363 3.120 20 30 EGEDLO CCCCOC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000796515810 1310017900 /nfs/dbraw/zinc/01/79/00/1310017900.db2.gz CKQBBVKYBPXVDO-CQSZACIVSA-N 1 2 348.418 3.272 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000796676098 1310063005 /nfs/dbraw/zinc/06/30/05/1310063005.db2.gz DDEITGLOWOURES-CQSZACIVSA-N 1 2 345.281 3.418 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000796676098 1310063010 /nfs/dbraw/zinc/06/30/10/1310063010.db2.gz DDEITGLOWOURES-CQSZACIVSA-N 1 2 345.281 3.418 20 30 EGEDLO C#CC[N@@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccccc1 ZINC000796640833 1310054522 /nfs/dbraw/zinc/05/45/22/1310054522.db2.gz JHYHDJYAPROJAR-UHFFFAOYSA-N 1 2 347.462 3.361 20 30 EGEDLO C#CC[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccccc1 ZINC000796640833 1310054532 /nfs/dbraw/zinc/05/45/32/1310054532.db2.gz JHYHDJYAPROJAR-UHFFFAOYSA-N 1 2 347.462 3.361 20 30 EGEDLO C#CC[N@@H+](CC(=O)N[C@@H](C)c1ccccc1OC)Cc1ccccc1 ZINC000796641337 1310054725 /nfs/dbraw/zinc/05/47/25/1310054725.db2.gz PAGMEVLAJSYPCJ-KRWDZBQOSA-N 1 2 336.435 3.008 20 30 EGEDLO C#CC[N@H+](CC(=O)N[C@@H](C)c1ccccc1OC)Cc1ccccc1 ZINC000796641337 1310054730 /nfs/dbraw/zinc/05/47/30/1310054730.db2.gz PAGMEVLAJSYPCJ-KRWDZBQOSA-N 1 2 336.435 3.008 20 30 EGEDLO COc1ccc(C(=O)C2CC[NH+](Cc3cncc(C#N)c3)CC2)cc1 ZINC000929163305 1328526784 /nfs/dbraw/zinc/52/67/84/1328526784.db2.gz CTMSUITXGWRHOR-UHFFFAOYSA-N 1 2 335.407 3.057 20 30 EGEDLO C=C1CCN(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000929771132 1328695378 /nfs/dbraw/zinc/69/53/78/1328695378.db2.gz ZZCRTBBPKDVNIR-IAGOWNOFSA-N 1 2 343.471 3.480 20 30 EGEDLO CCOC(=O)c1[nH]c2c(c1C)C(=O)/C(=C\c1[nH]c(C)c(C)[nH+]1)CC2 ZINC000901437751 1317426557 /nfs/dbraw/zinc/42/65/57/1317426557.db2.gz DAKAEKNWRPCVLZ-WQLSENKSSA-N 1 2 327.384 3.052 20 30 EGEDLO CCOC(=O)c1oc2c(c1C)C(=O)/C(=C/c1c[nH+]cn1CC)CC2 ZINC000901457637 1317429602 /nfs/dbraw/zinc/42/96/02/1317429602.db2.gz OAXXOXVSIZOUIS-XYOKQWHBSA-N 1 2 328.368 3.194 20 30 EGEDLO CC(C)(C)c1cnc(C(C#N)C(=O)C2CC[NH+](C3CC3)CC2)s1 ZINC000805947558 1317442058 /nfs/dbraw/zinc/44/20/58/1317442058.db2.gz PGXOSSOFTRLLJR-AWEZNQCLSA-N 1 2 331.485 3.491 20 30 EGEDLO CC(C)(C)c1cnc([C@@H](C#N)C(=O)C2CC[NH+](C3CC3)CC2)s1 ZINC000805947558 1317442062 /nfs/dbraw/zinc/44/20/62/1317442062.db2.gz PGXOSSOFTRLLJR-AWEZNQCLSA-N 1 2 331.485 3.491 20 30 EGEDLO CC1(C#N)CC[NH+](CN2CCN(Cc3cccc(Cl)c3)C2=O)CC1 ZINC000902216813 1317546156 /nfs/dbraw/zinc/54/61/56/1317546156.db2.gz BNTFAGYLXPGWSU-UHFFFAOYSA-N 1 2 346.862 3.161 20 30 EGEDLO CC1CCC(C)(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000957839619 1317660292 /nfs/dbraw/zinc/66/02/92/1317660292.db2.gz HBVGHXKWAIVBJP-UHFFFAOYSA-N 1 2 339.483 3.419 20 30 EGEDLO N#CCc1ccc(COC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000810654931 1318039404 /nfs/dbraw/zinc/03/94/04/1318039404.db2.gz CHFWEDNFIUBOFO-UHFFFAOYSA-N 1 2 345.402 3.283 20 30 EGEDLO C=CC[N@@H+](Cc1ccccc1)CN1C(=O)C2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000811732308 1318241862 /nfs/dbraw/zinc/24/18/62/1318241862.db2.gz PDSOLLOGCCYVLW-MOPGFXCFSA-N 1 2 340.467 3.192 20 30 EGEDLO C=CC[N@H+](Cc1ccccc1)CN1C(=O)C2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000811732308 1318241865 /nfs/dbraw/zinc/24/18/65/1318241865.db2.gz PDSOLLOGCCYVLW-MOPGFXCFSA-N 1 2 340.467 3.192 20 30 EGEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1CC[C@H](Cc2ccccc2)C1=O ZINC000811732381 1318241976 /nfs/dbraw/zinc/24/19/76/1318241976.db2.gz QRAMHIYXPRSGTO-HXUWFJFHSA-N 1 2 333.435 3.039 20 30 EGEDLO C[N@H+](Cc1cccc(C#N)c1)CN1CC[C@H](Cc2ccccc2)C1=O ZINC000811732381 1318241984 /nfs/dbraw/zinc/24/19/84/1318241984.db2.gz QRAMHIYXPRSGTO-HXUWFJFHSA-N 1 2 333.435 3.039 20 30 EGEDLO C=C(C)C[N@@H+](Cc1ccccc1)CN1C(=O)C(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000811770026 1318260763 /nfs/dbraw/zinc/26/07/63/1318260763.db2.gz KMAZDMRGPGSEPM-RBUKOAKNSA-N 1 2 342.483 3.438 20 30 EGEDLO C=C(C)C[N@H+](Cc1ccccc1)CN1C(=O)C(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000811770026 1318260771 /nfs/dbraw/zinc/26/07/71/1318260771.db2.gz KMAZDMRGPGSEPM-RBUKOAKNSA-N 1 2 342.483 3.438 20 30 EGEDLO CC1(C#N)CC[NH+](CN2C[C@@H](c3cccc(Cl)c3)CC2=O)CC1 ZINC000812288464 1318357758 /nfs/dbraw/zinc/35/77/58/1318357758.db2.gz MIKCGARVOLSDFN-HNNXBMFYSA-N 1 2 331.847 3.239 20 30 EGEDLO CC(C)(C)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccccc1C#N ZINC000960324971 1318462498 /nfs/dbraw/zinc/46/24/98/1318462498.db2.gz JFPIFOWANWCWCQ-WOJBJXKFSA-N 1 2 347.462 3.476 20 30 EGEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCN1C(=O)[C@H]1CC1(C)C ZINC000960564985 1318696155 /nfs/dbraw/zinc/69/61/55/1318696155.db2.gz RVNYEUMRQQMALN-QZTJIDSGSA-N 1 2 343.446 3.166 20 30 EGEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCN1C(=O)[C@H]1CC1(C)C ZINC000960564985 1318696165 /nfs/dbraw/zinc/69/61/65/1318696165.db2.gz RVNYEUMRQQMALN-QZTJIDSGSA-N 1 2 343.446 3.166 20 30 EGEDLO N#Cc1ccc(C[NH2+][C@H](c2nc(Br)cs2)C2CC2)nc1 ZINC000817584112 1319406518 /nfs/dbraw/zinc/40/65/18/1319406518.db2.gz RTQFZZYXABSMGM-ZDUSSCGKSA-N 1 2 349.257 3.413 20 30 EGEDLO C#C[C@@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000820572261 1319914012 /nfs/dbraw/zinc/91/40/12/1319914012.db2.gz DOWOIPKXLZAQKS-GOEBONIOSA-N 1 2 342.830 3.327 20 30 EGEDLO COC(=O)C1(C#N)CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000824872473 1320293117 /nfs/dbraw/zinc/29/31/17/1320293117.db2.gz SUIAYFYUWSKGAP-UHFFFAOYSA-N 1 2 343.814 3.167 20 30 EGEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)C(=O)OC ZINC000839168695 1320883726 /nfs/dbraw/zinc/88/37/26/1320883726.db2.gz MUGBVOHTJLGIPU-XHSDSOJGSA-N 1 2 339.357 3.496 20 30 EGEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@@H](c3cccnc3)C2)nc1C1CC1 ZINC000842622998 1321408298 /nfs/dbraw/zinc/40/82/98/1321408298.db2.gz RVIWWSTVLRUQLA-MRXNPFEDSA-N 1 2 341.484 3.319 20 30 EGEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@@H](c3cccnc3)C2)nc1C1CC1 ZINC000842622998 1321408300 /nfs/dbraw/zinc/40/83/00/1321408300.db2.gz RVIWWSTVLRUQLA-MRXNPFEDSA-N 1 2 341.484 3.319 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](C)CCC(C)(C)C)c1=S ZINC000842632192 1321410502 /nfs/dbraw/zinc/41/05/02/1321410502.db2.gz VNQTUZAPTHWLQI-UHFFFAOYSA-N 1 2 346.504 3.383 20 30 EGEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](C)CCC(C)(C)C)c1=S ZINC000842632192 1321410507 /nfs/dbraw/zinc/41/05/07/1321410507.db2.gz VNQTUZAPTHWLQI-UHFFFAOYSA-N 1 2 346.504 3.383 20 30 EGEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000846995891 1321832030 /nfs/dbraw/zinc/83/20/30/1321832030.db2.gz UYDLBKLLPBYBOF-CVEARBPZSA-N 1 2 328.460 3.286 20 30 EGEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C#N)C3CCCC3)cn2c1 ZINC000921537285 1322344580 /nfs/dbraw/zinc/34/45/80/1322344580.db2.gz AMFDJBYKQGZEJW-MRXNPFEDSA-N 1 2 342.468 3.075 20 30 EGEDLO C[C@H]1C[N@H+](Cc2ccc(F)cc2C#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000859616645 1329036514 /nfs/dbraw/zinc/03/65/14/1329036514.db2.gz VRWAIJWNPWXKPO-SUMWQHHRSA-N 1 2 332.419 3.497 20 30 EGEDLO C[C@H]1C[N@@H+](Cc2ccc(F)cc2C#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000859616645 1329036519 /nfs/dbraw/zinc/03/65/19/1329036519.db2.gz VRWAIJWNPWXKPO-SUMWQHHRSA-N 1 2 332.419 3.497 20 30 EGEDLO C#CCOCC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000852075692 1323142053 /nfs/dbraw/zinc/14/20/53/1323142053.db2.gz MHALAZRUOOKQLR-BBRMVZONSA-N 1 2 327.346 3.117 20 30 EGEDLO C#CCOCC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000852075692 1323142058 /nfs/dbraw/zinc/14/20/58/1323142058.db2.gz MHALAZRUOOKQLR-BBRMVZONSA-N 1 2 327.346 3.117 20 30 EGEDLO N#CC[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000852319522 1323179168 /nfs/dbraw/zinc/17/91/68/1323179168.db2.gz OEECQMFXEVXKHE-IAQYHMDHSA-N 1 2 341.224 3.247 20 30 EGEDLO N#CC[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000852319522 1323179171 /nfs/dbraw/zinc/17/91/71/1323179171.db2.gz OEECQMFXEVXKHE-IAQYHMDHSA-N 1 2 341.224 3.247 20 30 EGEDLO C#CCC[N@@H+](CCOC)Cc1csc(-c2ccccc2OC)n1 ZINC000852751766 1323235614 /nfs/dbraw/zinc/23/56/14/1323235614.db2.gz MPCFEAIZQSSQIS-UHFFFAOYSA-N 1 2 330.453 3.290 20 30 EGEDLO C#CCC[N@H+](CCOC)Cc1csc(-c2ccccc2OC)n1 ZINC000852751766 1323235619 /nfs/dbraw/zinc/23/56/19/1323235619.db2.gz MPCFEAIZQSSQIS-UHFFFAOYSA-N 1 2 330.453 3.290 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccnc(CCC)c1 ZINC001024491928 1323443125 /nfs/dbraw/zinc/44/31/25/1323443125.db2.gz HNMXDCHUJPTRBO-KRWDZBQOSA-N 1 2 335.879 3.371 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccnc(CCC)c1 ZINC001024491928 1323443130 /nfs/dbraw/zinc/44/31/30/1323443130.db2.gz HNMXDCHUJPTRBO-KRWDZBQOSA-N 1 2 335.879 3.371 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC001024791497 1323697536 /nfs/dbraw/zinc/69/75/36/1323697536.db2.gz ARXMTEURYKCQQH-HNNXBMFYSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC001024791497 1323697540 /nfs/dbraw/zinc/69/75/40/1323697540.db2.gz ARXMTEURYKCQQH-HNNXBMFYSA-N 1 2 328.790 3.302 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccns1 ZINC001025239124 1324031321 /nfs/dbraw/zinc/03/13/21/1324031321.db2.gz ZXPUPFMNMXJTEG-KBPBESRZSA-N 1 2 339.892 3.355 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccns1 ZINC001025239124 1324031327 /nfs/dbraw/zinc/03/13/27/1324031327.db2.gz ZXPUPFMNMXJTEG-KBPBESRZSA-N 1 2 339.892 3.355 20 30 EGEDLO O=[N+]([O-])c1cccc(N[NH+]=Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000853258753 1325074254 /nfs/dbraw/zinc/07/42/54/1325074254.db2.gz BWDDDAWHPJVSRD-UHFFFAOYSA-N 1 2 340.383 3.002 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@](C)(O)c1ccc(F)cc1F ZINC000853335964 1325082539 /nfs/dbraw/zinc/08/25/39/1325082539.db2.gz LHFZHULEAOWZFJ-IBGZPJMESA-N 1 2 346.377 3.472 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000853447962 1325093565 /nfs/dbraw/zinc/09/35/65/1325093565.db2.gz PFAKIVVOFWGGTR-KRWDZBQOSA-N 1 2 341.455 3.077 20 30 EGEDLO C#CC[C@@H](Nc1cc(N2CCC(C)(O)CC2)nc[nH+]1)c1ccccc1 ZINC000853459447 1325096979 /nfs/dbraw/zinc/09/69/79/1325096979.db2.gz NWAZOQKBWXXXEC-QGZVFWFLSA-N 1 2 336.439 3.004 20 30 EGEDLO C#CC[C@@H](Nc1cc(N2CCC(C)(O)CC2)[nH+]cn1)c1ccccc1 ZINC000853459447 1325096985 /nfs/dbraw/zinc/09/69/85/1325096985.db2.gz NWAZOQKBWXXXEC-QGZVFWFLSA-N 1 2 336.439 3.004 20 30 EGEDLO C=CC[N@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=S)[C@@H](C)COC ZINC000853532937 1325116184 /nfs/dbraw/zinc/11/61/84/1325116184.db2.gz PZCZQOPPODNLLS-NSHDSACASA-N 1 2 337.401 3.352 20 30 EGEDLO C=CC[N@@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=S)[C@@H](C)COC ZINC000853532937 1325116195 /nfs/dbraw/zinc/11/61/95/1325116195.db2.gz PZCZQOPPODNLLS-NSHDSACASA-N 1 2 337.401 3.352 20 30 EGEDLO N#Cc1ccc(-c2ccn(C[N@@H+]3CCOC(C4CC4)(C4CC4)C3)n2)cc1 ZINC000853582464 1325128601 /nfs/dbraw/zinc/12/86/01/1325128601.db2.gz OPEMBLPQFMFZMW-UHFFFAOYSA-N 1 2 348.450 3.270 20 30 EGEDLO N#Cc1ccc(-c2ccn(C[N@H+]3CCOC(C4CC4)(C4CC4)C3)n2)cc1 ZINC000853582464 1325128609 /nfs/dbraw/zinc/12/86/09/1325128609.db2.gz OPEMBLPQFMFZMW-UHFFFAOYSA-N 1 2 348.450 3.270 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](CO)c1ccc(OC)cc1 ZINC000853685921 1325147525 /nfs/dbraw/zinc/14/75/25/1325147525.db2.gz QRHKYLIVIARZJD-KRWDZBQOSA-N 1 2 340.423 3.070 20 30 EGEDLO C#C[C@H](CC)NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000854077319 1325209513 /nfs/dbraw/zinc/20/95/13/1325209513.db2.gz PHFGKVHLJXAPEF-QGZVFWFLSA-N 1 2 344.846 3.160 20 30 EGEDLO CC[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1cccc(C#N)c1O ZINC000925574776 1325217228 /nfs/dbraw/zinc/21/72/28/1325217228.db2.gz DORVGMKMIJLJTE-UWWQBHOKSA-N 1 2 332.469 3.359 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)C(CC)CC)C1 ZINC001027301533 1325443269 /nfs/dbraw/zinc/44/32/69/1325443269.db2.gz MZGHBMYMSJPJQU-AWEZNQCLSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)C(CC)CC)C1 ZINC001027301533 1325443272 /nfs/dbraw/zinc/44/32/72/1325443272.db2.gz MZGHBMYMSJPJQU-AWEZNQCLSA-N 1 2 331.298 3.254 20 30 EGEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)C1CCCC1 ZINC000964624775 1325585933 /nfs/dbraw/zinc/58/59/33/1325585933.db2.gz YOJVASYGIFQOQC-KUHUBIRLSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)C1CCCC1 ZINC000964624775 1325585942 /nfs/dbraw/zinc/58/59/42/1325585942.db2.gz YOJVASYGIFQOQC-KUHUBIRLSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc(Cl)cn2CC)C1 ZINC001034041951 1342182438 /nfs/dbraw/zinc/18/24/38/1342182438.db2.gz LOWGAMGQUWGSCV-AWEZNQCLSA-N 1 2 344.286 3.450 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(Cl)cn2CC)C1 ZINC001034041951 1342182440 /nfs/dbraw/zinc/18/24/40/1342182440.db2.gz LOWGAMGQUWGSCV-AWEZNQCLSA-N 1 2 344.286 3.450 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2ncoc2C(C)C)C1 ZINC001027523238 1327796459 /nfs/dbraw/zinc/79/64/59/1327796459.db2.gz GWPQPZKWXYOTJH-HNNXBMFYSA-N 1 2 333.476 3.433 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([N@H+](C)Cc2ncoc2C(C)C)C1 ZINC001027523238 1327796466 /nfs/dbraw/zinc/79/64/66/1327796466.db2.gz GWPQPZKWXYOTJH-HNNXBMFYSA-N 1 2 333.476 3.433 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)[C@H](C)c2nnc(C)s2)C1 ZINC001027525651 1327800750 /nfs/dbraw/zinc/80/07/50/1327800750.db2.gz XSUKRXFWIGPRDN-OCCSQVGLSA-N 1 2 336.505 3.043 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([N@H+](C)[C@H](C)c2nnc(C)s2)C1 ZINC001027525651 1327800755 /nfs/dbraw/zinc/80/07/55/1327800755.db2.gz XSUKRXFWIGPRDN-OCCSQVGLSA-N 1 2 336.505 3.043 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@H+](C)Cc3ncc(C4CC4)o3)C2)C1 ZINC001027566142 1327893120 /nfs/dbraw/zinc/89/31/20/1327893120.db2.gz GTZGUJJYZZCQCT-MRXNPFEDSA-N 1 2 343.471 3.331 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3ncc(C4CC4)o3)C2)C1 ZINC001027566142 1327893127 /nfs/dbraw/zinc/89/31/27/1327893127.db2.gz GTZGUJJYZZCQCT-MRXNPFEDSA-N 1 2 343.471 3.331 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]([N@H+](C)Cc3csc(C)n3)C2)C1 ZINC001027566437 1327893763 /nfs/dbraw/zinc/89/37/63/1327893763.db2.gz IWTBCGLVCOBAMW-INIZCTEOSA-N 1 2 333.501 3.231 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@H]([N@@H+](C)Cc3csc(C)n3)C2)C1 ZINC001027566437 1327893786 /nfs/dbraw/zinc/89/37/86/1327893786.db2.gz IWTBCGLVCOBAMW-INIZCTEOSA-N 1 2 333.501 3.231 20 30 EGEDLO C[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C[C@@H]1NC(=O)C=C1CCC1 ZINC000965890183 1328084420 /nfs/dbraw/zinc/08/44/20/1328084420.db2.gz CKNBACCIJPVTIJ-LIRRHRJNSA-N 1 2 341.430 3.134 20 30 EGEDLO C[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C[C@@H]1NC(=O)C=C1CCC1 ZINC000965890183 1328084425 /nfs/dbraw/zinc/08/44/25/1328084425.db2.gz CKNBACCIJPVTIJ-LIRRHRJNSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc3scnc32)C1 ZINC000966071895 1328168954 /nfs/dbraw/zinc/16/89/54/1328168954.db2.gz BOTQOKDDQBJSCT-SMDDNHRTSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc3scnc32)C1 ZINC000966071895 1328168955 /nfs/dbraw/zinc/16/89/55/1328168955.db2.gz BOTQOKDDQBJSCT-SMDDNHRTSA-N 1 2 349.887 3.489 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2c(C)cccc2C)C1 ZINC000966493221 1328322227 /nfs/dbraw/zinc/32/22/27/1328322227.db2.gz UPMCJNCHOIODRL-CRAIPNDOSA-N 1 2 334.891 3.425 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2c(C)cccc2C)C1 ZINC000966493221 1328322234 /nfs/dbraw/zinc/32/22/34/1328322234.db2.gz UPMCJNCHOIODRL-CRAIPNDOSA-N 1 2 334.891 3.425 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccnn1C(CC)CC ZINC001027930337 1328408547 /nfs/dbraw/zinc/40/85/47/1328408547.db2.gz NUFFITHIQDSWKE-OAHLLOKOSA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnn1C(CC)CC ZINC001027930337 1328408555 /nfs/dbraw/zinc/40/85/55/1328408555.db2.gz NUFFITHIQDSWKE-OAHLLOKOSA-N 1 2 338.883 3.191 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001027965219 1328438552 /nfs/dbraw/zinc/43/85/52/1328438552.db2.gz UEUBIABZOATEHT-KGLIPLIRSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001027965219 1328438557 /nfs/dbraw/zinc/43/85/57/1328438557.db2.gz UEUBIABZOATEHT-KGLIPLIRSA-N 1 2 341.293 3.056 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001028032350 1328495941 /nfs/dbraw/zinc/49/59/41/1328495941.db2.gz SSTGZXAXBKTTGA-ZIFCJYIRSA-N 1 2 332.875 3.297 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001028032350 1328495947 /nfs/dbraw/zinc/49/59/47/1328495947.db2.gz SSTGZXAXBKTTGA-ZIFCJYIRSA-N 1 2 332.875 3.297 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1COc2cc(C)c(C)cc21 ZINC001028048201 1328513865 /nfs/dbraw/zinc/51/38/65/1328513865.db2.gz AEKHTPNPCTVMHR-DOTOQJQBSA-N 1 2 348.874 3.113 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1COc2cc(C)c(C)cc21 ZINC001028048201 1328513874 /nfs/dbraw/zinc/51/38/74/1328513874.db2.gz AEKHTPNPCTVMHR-DOTOQJQBSA-N 1 2 348.874 3.113 20 30 EGEDLO CCn1cnc2c1CC[N@H+](Cc1cc(Cl)ccc1OCC#N)C2 ZINC000933258300 1329875585 /nfs/dbraw/zinc/87/55/85/1329875585.db2.gz DTOOJKFVDGEIKL-UHFFFAOYSA-N 1 2 330.819 3.017 20 30 EGEDLO CCn1cnc2c1CC[N@@H+](Cc1cc(Cl)ccc1OCC#N)C2 ZINC000933258300 1329875586 /nfs/dbraw/zinc/87/55/86/1329875586.db2.gz DTOOJKFVDGEIKL-UHFFFAOYSA-N 1 2 330.819 3.017 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C4CC4)o3)C[C@@H]2C)C1 ZINC000942602193 1331998867 /nfs/dbraw/zinc/99/88/67/1331998867.db2.gz FNGXKVYZOOVASL-HOCLYGCPSA-N 1 2 343.471 3.235 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C4CC4)o3)C[C@@H]2C)C1 ZINC000942602193 1331998869 /nfs/dbraw/zinc/99/88/69/1331998869.db2.gz FNGXKVYZOOVASL-HOCLYGCPSA-N 1 2 343.471 3.235 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)CC2CCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947161362 1333029058 /nfs/dbraw/zinc/02/90/58/1333029058.db2.gz DRTOSOIWNNDQRQ-IFXJQAMLSA-N 1 2 343.446 3.357 20 30 EGEDLO C[C@H]1C[C@H](NC(=O)CC2CCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947161362 1333029062 /nfs/dbraw/zinc/02/90/62/1333029062.db2.gz DRTOSOIWNNDQRQ-IFXJQAMLSA-N 1 2 343.446 3.357 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3ncc(CC)o3)[C@@H](C)C2)C1 ZINC000947703072 1333233411 /nfs/dbraw/zinc/23/34/11/1333233411.db2.gz VFOUFIAWHRZIMH-LSDHHAIUSA-N 1 2 331.460 3.062 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3ncc(CC)o3)[C@@H](C)C2)C1 ZINC000947703072 1333233415 /nfs/dbraw/zinc/23/34/15/1333233415.db2.gz VFOUFIAWHRZIMH-LSDHHAIUSA-N 1 2 331.460 3.062 20 30 EGEDLO C=C(C)CC[NH+]1CCN(C(=O)c2snc(Cl)c2Cl)CC1 ZINC000948540304 1333561750 /nfs/dbraw/zinc/56/17/50/1333561750.db2.gz PWDKQGAZJHJRBY-UHFFFAOYSA-N 1 2 334.272 3.174 20 30 EGEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cscc1C ZINC000948902781 1333727209 /nfs/dbraw/zinc/72/72/09/1333727209.db2.gz VFFNUQSDURRDAK-LJQANCHMSA-N 1 2 338.476 3.409 20 30 EGEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cscc1C ZINC000948902781 1333727211 /nfs/dbraw/zinc/72/72/11/1333727211.db2.gz VFFNUQSDURRDAK-LJQANCHMSA-N 1 2 338.476 3.409 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC000948920254 1333734668 /nfs/dbraw/zinc/73/46/68/1333734668.db2.gz ZRFWQHMGCHCIFE-AZUAARDMSA-N 1 2 336.479 3.306 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC000948920254 1333734670 /nfs/dbraw/zinc/73/46/70/1333734670.db2.gz ZRFWQHMGCHCIFE-AZUAARDMSA-N 1 2 336.479 3.306 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC000948934989 1333740065 /nfs/dbraw/zinc/74/00/65/1333740065.db2.gz BDWWUASMRDCANN-FQEVSTJZSA-N 1 2 336.479 3.306 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC000948934989 1333740066 /nfs/dbraw/zinc/74/00/66/1333740066.db2.gz BDWWUASMRDCANN-FQEVSTJZSA-N 1 2 336.479 3.306 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC000948986430 1333760304 /nfs/dbraw/zinc/76/03/04/1333760304.db2.gz LNHHICYYGOMIHQ-JOCHJYFZSA-N 1 2 344.458 3.138 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC000948986430 1333760308 /nfs/dbraw/zinc/76/03/08/1333760308.db2.gz LNHHICYYGOMIHQ-JOCHJYFZSA-N 1 2 344.458 3.138 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1sccc1CC ZINC000948987081 1333760630 /nfs/dbraw/zinc/76/06/30/1333760630.db2.gz SVZRKPXFHCOPNH-GOSISDBHSA-N 1 2 338.476 3.273 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1sccc1CC ZINC000948987081 1333760632 /nfs/dbraw/zinc/76/06/32/1333760632.db2.gz SVZRKPXFHCOPNH-GOSISDBHSA-N 1 2 338.476 3.273 20 30 EGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccoc1C(C)C ZINC000948989708 1333761836 /nfs/dbraw/zinc/76/18/36/1333761836.db2.gz KMXZSNRJCMKQRO-IBGZPJMESA-N 1 2 336.435 3.365 20 30 EGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccoc1C(C)C ZINC000948989708 1333761839 /nfs/dbraw/zinc/76/18/39/1333761839.db2.gz KMXZSNRJCMKQRO-IBGZPJMESA-N 1 2 336.435 3.365 20 30 EGEDLO C=C1CCC(C(=O)N2CC[NH+](CCO[C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000950047008 1334001296 /nfs/dbraw/zinc/00/12/96/1334001296.db2.gz OEYPQHBFLOHMPR-QUCCMNQESA-N 1 2 348.531 3.472 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000950697620 1334118487 /nfs/dbraw/zinc/11/84/87/1334118487.db2.gz WINVHDMHUNBHLT-KGLIPLIRSA-N 1 2 332.410 3.464 20 30 EGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(F)c(Cl)cc2F)C1 ZINC000951583554 1334274103 /nfs/dbraw/zinc/27/41/03/1334274103.db2.gz CMVYQPREIWOVCD-UHFFFAOYSA-N 1 2 328.790 3.341 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](Cc3ncoc3C(C)C)CC[C@@H]2C)C1 ZINC000968273725 1335882292 /nfs/dbraw/zinc/88/22/92/1335882292.db2.gz IZBWBVXHLPIQMI-HOTGVXAUSA-N 1 2 345.487 3.481 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](Cc3ncoc3C(C)C)CC[C@@H]2C)C1 ZINC000968273725 1335882294 /nfs/dbraw/zinc/88/22/94/1335882294.db2.gz IZBWBVXHLPIQMI-HOTGVXAUSA-N 1 2 345.487 3.481 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC000968354709 1335900411 /nfs/dbraw/zinc/90/04/11/1335900411.db2.gz VRRHXIYBKUSYMJ-RISCZKNCSA-N 1 2 334.838 3.391 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC000968354709 1335900414 /nfs/dbraw/zinc/90/04/14/1335900414.db2.gz VRRHXIYBKUSYMJ-RISCZKNCSA-N 1 2 334.838 3.391 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC000968622973 1335987141 /nfs/dbraw/zinc/98/71/41/1335987141.db2.gz DBWCEYOFMBDAIZ-BONVTDFDSA-N 1 2 328.790 3.158 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC000968622973 1335987142 /nfs/dbraw/zinc/98/71/42/1335987142.db2.gz DBWCEYOFMBDAIZ-BONVTDFDSA-N 1 2 328.790 3.158 20 30 EGEDLO C[C@H](NC(=O)[C@@H]1CCC1(C)C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970297432 1336293479 /nfs/dbraw/zinc/29/34/79/1336293479.db2.gz HCUVUYGQASCBLN-GUYCJALGSA-N 1 2 343.446 3.070 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2c(F)ccc(F)c2Cl)C1 ZINC000970480538 1336311455 /nfs/dbraw/zinc/31/14/55/1336311455.db2.gz PQYHSZQEFOHYMO-VIFPVBQESA-N 1 2 349.208 3.421 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(C)c(OCC)c2)C1 ZINC000970517384 1336315751 /nfs/dbraw/zinc/31/57/51/1336315751.db2.gz BOYADUJPOJXPSI-AWEZNQCLSA-N 1 2 336.863 3.196 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC000970558339 1336321657 /nfs/dbraw/zinc/32/16/57/1336321657.db2.gz QEJMWXNLXPIBKT-UHOFOFEASA-N 1 2 336.838 3.118 20 30 EGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)C2=CCCCCC2)C1 ZINC000971404722 1336342287 /nfs/dbraw/zinc/34/22/87/1336342287.db2.gz WSNBDDZCFLGMPV-HNNXBMFYSA-N 1 2 341.293 3.318 20 30 EGEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)C2=CCCCCC2)C1 ZINC000971404722 1336342290 /nfs/dbraw/zinc/34/22/90/1336342290.db2.gz WSNBDDZCFLGMPV-HNNXBMFYSA-N 1 2 341.293 3.318 20 30 EGEDLO Cc1ccsc1C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001006605462 1336537361 /nfs/dbraw/zinc/53/73/61/1336537361.db2.gz ZKBGEGMKVYAILX-SFHVURJKSA-N 1 2 338.476 3.302 20 30 EGEDLO Cc1ccsc1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001006605462 1336537363 /nfs/dbraw/zinc/53/73/63/1336537363.db2.gz ZKBGEGMKVYAILX-SFHVURJKSA-N 1 2 338.476 3.302 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)o1 ZINC001007005707 1336623655 /nfs/dbraw/zinc/62/36/55/1336623655.db2.gz OXJODZPNPIIDES-IBGZPJMESA-N 1 2 336.435 3.142 20 30 EGEDLO Cc1cc(C)c(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)o1 ZINC001007005707 1336623658 /nfs/dbraw/zinc/62/36/58/1336623658.db2.gz OXJODZPNPIIDES-IBGZPJMESA-N 1 2 336.435 3.142 20 30 EGEDLO Cc1cscc1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001007033184 1336629169 /nfs/dbraw/zinc/62/91/69/1336629169.db2.gz FWWUOKZPTVOVPV-GOSISDBHSA-N 1 2 338.476 3.302 20 30 EGEDLO Cc1cscc1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001007033184 1336629173 /nfs/dbraw/zinc/62/91/73/1336629173.db2.gz FWWUOKZPTVOVPV-GOSISDBHSA-N 1 2 338.476 3.302 20 30 EGEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]([C@@H](C)Nc3cc[nH+]c(C)n3)C2)C1 ZINC001063905915 1352079695 /nfs/dbraw/zinc/07/96/95/1352079695.db2.gz ITDNKVIVALMXFO-GDBMZVCRSA-N 1 2 328.460 3.180 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001007610771 1336676844 /nfs/dbraw/zinc/67/68/44/1336676844.db2.gz QLJWZUJYLAJSBN-PXNSSMCTSA-N 1 2 337.467 3.385 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001007610771 1336676846 /nfs/dbraw/zinc/67/68/46/1336676846.db2.gz QLJWZUJYLAJSBN-PXNSSMCTSA-N 1 2 337.467 3.385 20 30 EGEDLO CC(C)(C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1)C1CCC1 ZINC001008080627 1336764167 /nfs/dbraw/zinc/76/41/67/1336764167.db2.gz BFRVGOOKQORLDA-LJQANCHMSA-N 1 2 339.483 3.465 20 30 EGEDLO CC(C)(C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1)C1CCC1 ZINC001008080627 1336764169 /nfs/dbraw/zinc/76/41/69/1336764169.db2.gz BFRVGOOKQORLDA-LJQANCHMSA-N 1 2 339.483 3.465 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2nsc3ccccc32)C1 ZINC001009606449 1337045510 /nfs/dbraw/zinc/04/55/10/1337045510.db2.gz YBPMIHZUXBWXJR-ZDUSSCGKSA-N 1 2 349.887 3.172 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2nsc3ccccc32)C1 ZINC001009606449 1337045514 /nfs/dbraw/zinc/04/55/14/1337045514.db2.gz YBPMIHZUXBWXJR-ZDUSSCGKSA-N 1 2 349.887 3.172 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C3CCCCCC3)C2)c(F)c1 ZINC001010366022 1337182841 /nfs/dbraw/zinc/18/28/41/1337182841.db2.gz DJNPZVMSPBCOJQ-GOSISDBHSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C3CCCCCC3)C2)c(F)c1 ZINC001010366022 1337182844 /nfs/dbraw/zinc/18/28/44/1337182844.db2.gz DJNPZVMSPBCOJQ-GOSISDBHSA-N 1 2 343.446 3.358 20 30 EGEDLO Cc1csc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)c1 ZINC001014380121 1337759838 /nfs/dbraw/zinc/75/98/38/1337759838.db2.gz ZMQOLDUQYCMOFG-KRWDZBQOSA-N 1 2 342.439 3.051 20 30 EGEDLO Cc1csc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)c1 ZINC001014380121 1337759843 /nfs/dbraw/zinc/75/98/43/1337759843.db2.gz ZMQOLDUQYCMOFG-KRWDZBQOSA-N 1 2 342.439 3.051 20 30 EGEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cscc1Cl ZINC001014844542 1337921770 /nfs/dbraw/zinc/92/17/70/1337921770.db2.gz HTWTZWSLXUFXDS-OAHLLOKOSA-N 1 2 344.867 3.257 20 30 EGEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cscc1Cl ZINC001014844542 1337921773 /nfs/dbraw/zinc/92/17/73/1337921773.db2.gz HTWTZWSLXUFXDS-OAHLLOKOSA-N 1 2 344.867 3.257 20 30 EGEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)C1(C2CC2)CC1 ZINC001014847465 1337923317 /nfs/dbraw/zinc/92/33/17/1337923317.db2.gz KPBKQEAHSAECOL-SFHVURJKSA-N 1 2 342.870 3.072 20 30 EGEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)C1(C2CC2)CC1 ZINC001014847465 1337923318 /nfs/dbraw/zinc/92/33/18/1337923318.db2.gz KPBKQEAHSAECOL-SFHVURJKSA-N 1 2 342.870 3.072 20 30 EGEDLO CCc1ccc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)s1 ZINC001015146766 1338033162 /nfs/dbraw/zinc/03/31/62/1338033162.db2.gz BFMIGIHMFZZPFB-KRWDZBQOSA-N 1 2 338.476 3.166 20 30 EGEDLO CCc1ccc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)s1 ZINC001015146766 1338033170 /nfs/dbraw/zinc/03/31/70/1338033170.db2.gz BFMIGIHMFZZPFB-KRWDZBQOSA-N 1 2 338.476 3.166 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)c(C)s1 ZINC001015153957 1338037046 /nfs/dbraw/zinc/03/70/46/1338037046.db2.gz VWLUDGZRWDDTDJ-CYBMUJFWSA-N 1 2 345.493 3.302 20 30 EGEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)c(C)s1 ZINC001015153957 1338037048 /nfs/dbraw/zinc/03/70/48/1338037048.db2.gz VWLUDGZRWDDTDJ-CYBMUJFWSA-N 1 2 345.493 3.302 20 30 EGEDLO Cc1oc(C)c(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)c1C ZINC001015180130 1338044210 /nfs/dbraw/zinc/04/42/10/1338044210.db2.gz YJNOTRCHUUCOJU-IBGZPJMESA-N 1 2 336.435 3.061 20 30 EGEDLO Cc1oc(C)c(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c1C ZINC001015180130 1338044214 /nfs/dbraw/zinc/04/42/14/1338044214.db2.gz YJNOTRCHUUCOJU-IBGZPJMESA-N 1 2 336.435 3.061 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)C1 ZINC001015478977 1338154827 /nfs/dbraw/zinc/15/48/27/1338154827.db2.gz YLWFQSLHEFEVAY-CYBMUJFWSA-N 1 2 338.238 3.378 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)C1 ZINC001015478977 1338154828 /nfs/dbraw/zinc/15/48/28/1338154828.db2.gz YLWFQSLHEFEVAY-CYBMUJFWSA-N 1 2 338.238 3.378 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc3c(ccc(C)c3C)[nH]2)C1 ZINC001015509431 1338162957 /nfs/dbraw/zinc/16/29/57/1338162957.db2.gz JWOXUULIPBCHNB-CQSZACIVSA-N 1 2 331.847 3.341 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc3c(ccc(C)c3C)[nH]2)C1 ZINC001015509431 1338162960 /nfs/dbraw/zinc/16/29/60/1338162960.db2.gz JWOXUULIPBCHNB-CQSZACIVSA-N 1 2 331.847 3.341 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(Cl)nc3)C2)CC1 ZINC001015659468 1338238094 /nfs/dbraw/zinc/23/80/94/1338238094.db2.gz BHDVEURANKCBKJ-INIZCTEOSA-N 1 2 333.863 3.172 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccc(Cl)nc3)C2)CC1 ZINC001015659468 1338238098 /nfs/dbraw/zinc/23/80/98/1338238098.db2.gz BHDVEURANKCBKJ-INIZCTEOSA-N 1 2 333.863 3.172 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC001015659762 1338238918 /nfs/dbraw/zinc/23/89/18/1338238918.db2.gz JXSAJKXRZFOKPB-SFHVURJKSA-N 1 2 341.430 3.134 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC001015659762 1338238924 /nfs/dbraw/zinc/23/89/24/1338238924.db2.gz JXSAJKXRZFOKPB-SFHVURJKSA-N 1 2 341.430 3.134 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001015728107 1338274849 /nfs/dbraw/zinc/27/48/49/1338274849.db2.gz LXUDGDAGBJJFBP-KBAYOESNSA-N 1 2 343.446 3.070 20 30 EGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001015728107 1338274852 /nfs/dbraw/zinc/27/48/52/1338274852.db2.gz LXUDGDAGBJJFBP-KBAYOESNSA-N 1 2 343.446 3.070 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(O[C@@H](C)CC)cc2)C1 ZINC001015953915 1338376326 /nfs/dbraw/zinc/37/63/26/1338376326.db2.gz JSEAHOCLXAVGSS-HOCLYGCPSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(O[C@@H](C)CC)cc2)C1 ZINC001015953915 1338376330 /nfs/dbraw/zinc/37/63/30/1338376330.db2.gz JSEAHOCLXAVGSS-HOCLYGCPSA-N 1 2 336.863 3.421 20 30 EGEDLO Cc1cc(F)ccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001016045736 1338426464 /nfs/dbraw/zinc/42/64/64/1338426464.db2.gz OPOBVIYVRPDYNI-GOSISDBHSA-N 1 2 337.398 3.010 20 30 EGEDLO Cc1cc(F)ccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001016045736 1338426467 /nfs/dbraw/zinc/42/64/67/1338426467.db2.gz OPOBVIYVRPDYNI-GOSISDBHSA-N 1 2 337.398 3.010 20 30 EGEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ccc(Cl)s1 ZINC001016174988 1338491568 /nfs/dbraw/zinc/49/15/68/1338491568.db2.gz OMMXFCXMJLYCBI-OAHLLOKOSA-N 1 2 344.867 3.257 20 30 EGEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ccc(Cl)s1 ZINC001016174988 1338491570 /nfs/dbraw/zinc/49/15/70/1338491570.db2.gz OMMXFCXMJLYCBI-OAHLLOKOSA-N 1 2 344.867 3.257 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(c3cc(C)cc(C)c3)CC2)C1 ZINC001016271838 1338531824 /nfs/dbraw/zinc/53/18/24/1338531824.db2.gz IQSQYBPXRZBFNM-QGZVFWFLSA-N 1 2 332.875 3.278 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(c3cc(C)cc(C)c3)CC2)C1 ZINC001016271838 1338531825 /nfs/dbraw/zinc/53/18/25/1338531825.db2.gz IQSQYBPXRZBFNM-QGZVFWFLSA-N 1 2 332.875 3.278 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001016316922 1338546719 /nfs/dbraw/zinc/54/67/19/1338546719.db2.gz SKTJCYYYEBLPNU-NRFANRHFSA-N 1 2 345.446 3.440 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001016316922 1338546722 /nfs/dbraw/zinc/54/67/22/1338546722.db2.gz SKTJCYYYEBLPNU-NRFANRHFSA-N 1 2 345.446 3.440 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H](C[N@@H+](C)[C@H](C)c2noc(C)n2)C1 ZINC001017180848 1338924763 /nfs/dbraw/zinc/92/47/63/1338924763.db2.gz WFAQMATVIVXQHU-GDBMZVCRSA-N 1 2 348.491 3.212 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H](C[N@H+](C)[C@H](C)c2noc(C)n2)C1 ZINC001017180848 1338924765 /nfs/dbraw/zinc/92/47/65/1338924765.db2.gz WFAQMATVIVXQHU-GDBMZVCRSA-N 1 2 348.491 3.212 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2c1CCCCC2 ZINC001017642102 1339380456 /nfs/dbraw/zinc/38/04/56/1339380456.db2.gz RKZSPEXGRIVQCP-KDURUIRLSA-N 1 2 336.479 3.268 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2c1CCCCC2 ZINC001017642102 1339380458 /nfs/dbraw/zinc/38/04/58/1339380458.db2.gz RKZSPEXGRIVQCP-KDURUIRLSA-N 1 2 336.479 3.268 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001017697720 1339393994 /nfs/dbraw/zinc/39/39/94/1339393994.db2.gz DZWGNLSPGTVHCA-QXSJWSMHSA-N 1 2 342.405 3.054 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001017697720 1339393998 /nfs/dbraw/zinc/39/39/98/1339393998.db2.gz DZWGNLSPGTVHCA-QXSJWSMHSA-N 1 2 342.405 3.054 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1O[C@H](C)CC ZINC001018007971 1339480947 /nfs/dbraw/zinc/48/09/47/1339480947.db2.gz VUKKAZOTINAOOF-KURKYZTESA-N 1 2 340.467 3.176 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1O[C@H](C)CC ZINC001018007971 1339480951 /nfs/dbraw/zinc/48/09/51/1339480951.db2.gz VUKKAZOTINAOOF-KURKYZTESA-N 1 2 340.467 3.176 20 30 EGEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(c2ccccc2)CC1(C)C ZINC001018091681 1339500602 /nfs/dbraw/zinc/50/06/02/1339500602.db2.gz OMPIMAJOHGGLQG-JQVVWYNYSA-N 1 2 336.479 3.053 20 30 EGEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(c2ccccc2)CC1(C)C ZINC001018091681 1339500606 /nfs/dbraw/zinc/50/06/06/1339500606.db2.gz OMPIMAJOHGGLQG-JQVVWYNYSA-N 1 2 336.479 3.053 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc(-c2ccccc2)[nH]1 ZINC001028172298 1340466701 /nfs/dbraw/zinc/46/67/01/1340466701.db2.gz STLRASFNEOBEBJ-OAHLLOKOSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnc(-c2ccccc2)[nH]1 ZINC001028172298 1340466702 /nfs/dbraw/zinc/46/67/02/1340466702.db2.gz STLRASFNEOBEBJ-OAHLLOKOSA-N 1 2 344.846 3.023 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccnc(C(F)(F)F)c1 ZINC001028240885 1340501904 /nfs/dbraw/zinc/50/19/04/1340501904.db2.gz MCGNEEXRSZBHPA-LBPRGKRZSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccnc(C(F)(F)F)c1 ZINC001028240885 1340501906 /nfs/dbraw/zinc/50/19/06/1340501906.db2.gz MCGNEEXRSZBHPA-LBPRGKRZSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C12CC(c3ccccc3)(C1)C2 ZINC001028339682 1340576575 /nfs/dbraw/zinc/57/65/75/1340576575.db2.gz ACKWCHFQNPCTMJ-KKXNLOMOSA-N 1 2 344.886 3.441 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C12CC(c3ccccc3)(C1)C2 ZINC001028339682 1340576576 /nfs/dbraw/zinc/57/65/76/1340576576.db2.gz ACKWCHFQNPCTMJ-KKXNLOMOSA-N 1 2 344.886 3.441 20 30 EGEDLO CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(F)cc1 ZINC001029213954 1340956229 /nfs/dbraw/zinc/95/62/29/1340956229.db2.gz ZGQYCFSVEIPJCV-KDURUIRLSA-N 1 2 342.458 3.289 20 30 EGEDLO CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001029213954 1340956231 /nfs/dbraw/zinc/95/62/31/1340956231.db2.gz ZGQYCFSVEIPJCV-KDURUIRLSA-N 1 2 342.458 3.289 20 30 EGEDLO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1)C(C)(C)C ZINC001029360431 1340977182 /nfs/dbraw/zinc/97/71/82/1340977182.db2.gz FOSISPYVZZCKLQ-KFWWJZLASA-N 1 2 345.512 3.477 20 30 EGEDLO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1)C(C)(C)C ZINC001029360431 1340977184 /nfs/dbraw/zinc/97/71/84/1340977184.db2.gz FOSISPYVZZCKLQ-KFWWJZLASA-N 1 2 345.512 3.477 20 30 EGEDLO O=C(C[C@H]1CC=CCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029423870 1340986731 /nfs/dbraw/zinc/98/67/31/1340986731.db2.gz JFMKMSURTUJFHA-FDFHNCONSA-N 1 2 348.490 3.460 20 30 EGEDLO O=C(C[C@H]1CC=CCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029423870 1340986732 /nfs/dbraw/zinc/98/67/32/1340986732.db2.gz JFMKMSURTUJFHA-FDFHNCONSA-N 1 2 348.490 3.460 20 30 EGEDLO Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2C#N)cc1 ZINC001029563135 1341013343 /nfs/dbraw/zinc/01/33/43/1341013343.db2.gz RNANQCKLQQQKST-OYRHEFFESA-N 1 2 345.446 3.356 20 30 EGEDLO Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2C#N)cc1 ZINC001029563135 1341013345 /nfs/dbraw/zinc/01/33/45/1341013345.db2.gz RNANQCKLQQQKST-OYRHEFFESA-N 1 2 345.446 3.356 20 30 EGEDLO CC#CC[N@H+]1C[C@H](NC(=O)c2sc(Cl)nc2Cl)CC[C@H]1C ZINC001072076523 1355115224 /nfs/dbraw/zinc/11/52/24/1355115224.db2.gz QIAMGTPBUUTPKY-NXEZZACHSA-N 1 2 346.283 3.056 20 30 EGEDLO C=C1CCC(C(=O)NC2C[NH+](CCOc3c(C)cccc3C)C2)CC1 ZINC001030903857 1341246774 /nfs/dbraw/zinc/24/67/74/1341246774.db2.gz YSDNOKJNWHHHIJ-UHFFFAOYSA-N 1 2 342.483 3.229 20 30 EGEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)C3=CCCCCC3)C2)c(F)c1 ZINC001031631453 1341378544 /nfs/dbraw/zinc/37/85/44/1341378544.db2.gz QTTFSNYCRYUNPD-UHFFFAOYSA-N 1 2 341.430 3.136 20 30 EGEDLO CC1=C(C)C[C@@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)CC1 ZINC001031697114 1341390198 /nfs/dbraw/zinc/39/01/98/1341390198.db2.gz YDWSKLILWJEQAF-SFHVURJKSA-N 1 2 337.467 3.243 20 30 EGEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cscc2Cl)C1 ZINC001031751769 1341396669 /nfs/dbraw/zinc/39/66/69/1341396669.db2.gz KPICHTMOIDOCBD-UHFFFAOYSA-N 1 2 345.855 3.135 20 30 EGEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001031974646 1341434045 /nfs/dbraw/zinc/43/40/45/1341434045.db2.gz DUAJGBHMKPNRFU-UHFFFAOYSA-N 1 2 348.450 3.016 20 30 EGEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CC=CCC2)s1 ZINC001032565887 1341541920 /nfs/dbraw/zinc/54/19/20/1341541920.db2.gz AIMHIGNYQBYLBM-PMPSAXMXSA-N 1 2 341.480 3.151 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CC=CCC2)s1 ZINC001032565887 1341541921 /nfs/dbraw/zinc/54/19/21/1341541921.db2.gz AIMHIGNYQBYLBM-PMPSAXMXSA-N 1 2 341.480 3.151 20 30 EGEDLO CN(C(=O)C1CCCCC1)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032869280 1341641991 /nfs/dbraw/zinc/64/19/91/1341641991.db2.gz HVEQIXHRGMUHMT-IBGZPJMESA-N 1 2 343.446 3.310 20 30 EGEDLO CN(C(=O)C1CCCCC1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032869280 1341641993 /nfs/dbraw/zinc/64/19/93/1341641993.db2.gz HVEQIXHRGMUHMT-IBGZPJMESA-N 1 2 343.446 3.310 20 30 EGEDLO CN(C(=O)c1cccs1)[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032875591 1341646072 /nfs/dbraw/zinc/64/60/72/1341646072.db2.gz GSASRCDYYRPSHR-OAHLLOKOSA-N 1 2 343.427 3.105 20 30 EGEDLO CN(C(=O)c1cccs1)[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032875591 1341646073 /nfs/dbraw/zinc/64/60/73/1341646073.db2.gz GSASRCDYYRPSHR-OAHLLOKOSA-N 1 2 343.427 3.105 20 30 EGEDLO Cc1csc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001033063678 1341712515 /nfs/dbraw/zinc/71/25/15/1341712515.db2.gz FUQUAEMMEJMJKI-KRWDZBQOSA-N 1 2 339.464 3.275 20 30 EGEDLO Cc1csc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001033063678 1341712517 /nfs/dbraw/zinc/71/25/17/1341712517.db2.gz FUQUAEMMEJMJKI-KRWDZBQOSA-N 1 2 339.464 3.275 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC001033132085 1341735885 /nfs/dbraw/zinc/73/58/85/1341735885.db2.gz PHKXCKZOHGUPCR-INIZCTEOSA-N 1 2 336.838 3.143 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC001033132085 1341735889 /nfs/dbraw/zinc/73/58/89/1341735889.db2.gz PHKXCKZOHGUPCR-INIZCTEOSA-N 1 2 336.838 3.143 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2([C@@H]3CCCCO3)CCC2)C1 ZINC001033259274 1341761001 /nfs/dbraw/zinc/76/10/01/1341761001.db2.gz KPWXNSXEXYGHIM-HOTGVXAUSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2([C@@H]3CCCCO3)CCC2)C1 ZINC001033259274 1341761002 /nfs/dbraw/zinc/76/10/02/1341761002.db2.gz KPWXNSXEXYGHIM-HOTGVXAUSA-N 1 2 340.895 3.011 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)c2c(F)cccc2F)C1 ZINC001033268718 1341764090 /nfs/dbraw/zinc/76/40/90/1341764090.db2.gz BMGGFJYUJHUHKC-QWHCGFSZSA-N 1 2 342.817 3.354 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)c2c(F)cccc2F)C1 ZINC001033268718 1341764091 /nfs/dbraw/zinc/76/40/91/1341764091.db2.gz BMGGFJYUJHUHKC-QWHCGFSZSA-N 1 2 342.817 3.354 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2cccs2)C1 ZINC001033325631 1341781350 /nfs/dbraw/zinc/78/13/50/1341781350.db2.gz WWHOBYZVIIMMAU-ZDUSSCGKSA-N 1 2 326.893 3.311 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2cccs2)C1 ZINC001033325631 1341781353 /nfs/dbraw/zinc/78/13/53/1341781353.db2.gz WWHOBYZVIIMMAU-ZDUSSCGKSA-N 1 2 326.893 3.311 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C2(C)CCCC2)C1 ZINC001033300993 1341772841 /nfs/dbraw/zinc/77/28/41/1341772841.db2.gz RXGFPQIZCCEJKK-CYBMUJFWSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(C)CCCC2)C1 ZINC001033300993 1341772842 /nfs/dbraw/zinc/77/28/42/1341772842.db2.gz RXGFPQIZCCEJKK-CYBMUJFWSA-N 1 2 329.282 3.008 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc3ccccc3n2C)C1 ZINC001033374929 1341802321 /nfs/dbraw/zinc/80/23/21/1341802321.db2.gz GMDACJNJKROHSJ-OAHLLOKOSA-N 1 2 331.847 3.077 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3ccccc3n2C)C1 ZINC001033374929 1341802322 /nfs/dbraw/zinc/80/23/22/1341802322.db2.gz GMDACJNJKROHSJ-OAHLLOKOSA-N 1 2 331.847 3.077 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@@H+]([C@@H](C)c3ncc(C)o3)C2)CC1 ZINC001033389318 1341808241 /nfs/dbraw/zinc/80/82/41/1341808241.db2.gz MZBQLYNAVQFYHO-DOTOQJQBSA-N 1 2 331.460 3.323 20 30 EGEDLO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@H+]([C@@H](C)c3ncc(C)o3)C2)CC1 ZINC001033389318 1341808244 /nfs/dbraw/zinc/80/82/44/1341808244.db2.gz MZBQLYNAVQFYHO-DOTOQJQBSA-N 1 2 331.460 3.323 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(F)c2OCC)C1 ZINC001033539936 1341863688 /nfs/dbraw/zinc/86/36/88/1341863688.db2.gz MYVXSIYBBFIOSW-CYBMUJFWSA-N 1 2 340.826 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(F)c2OCC)C1 ZINC001033539936 1341863690 /nfs/dbraw/zinc/86/36/90/1341863690.db2.gz MYVXSIYBBFIOSW-CYBMUJFWSA-N 1 2 340.826 3.123 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3cnccc3c2)C1 ZINC001033563374 1341874170 /nfs/dbraw/zinc/87/41/70/1341874170.db2.gz UKNVTFQNPCDNGL-QGZVFWFLSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3cnccc3c2)C1 ZINC001033563374 1341874171 /nfs/dbraw/zinc/87/41/71/1341874171.db2.gz UKNVTFQNPCDNGL-QGZVFWFLSA-N 1 2 329.831 3.134 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c3ccc(C)cc32)C1 ZINC001033691044 1341954933 /nfs/dbraw/zinc/95/49/33/1341954933.db2.gz RPEFHPUIUDRLPE-CQSZACIVSA-N 1 2 331.847 3.375 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c3ccc(C)cc32)C1 ZINC001033691044 1341954936 /nfs/dbraw/zinc/95/49/36/1341954936.db2.gz RPEFHPUIUDRLPE-CQSZACIVSA-N 1 2 331.847 3.375 20 30 EGEDLO CCN(C(=O)c1cccs1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033739104 1341988558 /nfs/dbraw/zinc/98/85/58/1341988558.db2.gz APDKQFVIOGBZMB-KRWDZBQOSA-N 1 2 339.464 3.356 20 30 EGEDLO CCN(C(=O)c1cccs1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033739104 1341988559 /nfs/dbraw/zinc/98/85/59/1341988559.db2.gz APDKQFVIOGBZMB-KRWDZBQOSA-N 1 2 339.464 3.356 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cn(C)c3ccccc23)C1 ZINC001033894489 1342067377 /nfs/dbraw/zinc/06/73/77/1342067377.db2.gz YEXPQVREHXOVMN-HNNXBMFYSA-N 1 2 345.874 3.467 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cn(C)c3ccccc23)C1 ZINC001033894489 1342067382 /nfs/dbraw/zinc/06/73/82/1342067382.db2.gz YEXPQVREHXOVMN-HNNXBMFYSA-N 1 2 345.874 3.467 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(F)ccc2OC)C1 ZINC001033917122 1342086109 /nfs/dbraw/zinc/08/61/09/1342086109.db2.gz WCPGTYFDOMMMNZ-CQSZACIVSA-N 1 2 340.826 3.123 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(F)ccc2OC)C1 ZINC001033917122 1342086111 /nfs/dbraw/zinc/08/61/11/1342086111.db2.gz WCPGTYFDOMMMNZ-CQSZACIVSA-N 1 2 340.826 3.123 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@H+](Cc3ccn(CC)n3)C2)CC1 ZINC001033949470 1342108990 /nfs/dbraw/zinc/10/89/90/1342108990.db2.gz IKKCKKBBJBNNGS-IBGZPJMESA-N 1 2 344.503 3.072 20 30 EGEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](Cc3ccn(CC)n3)C2)CC1 ZINC001033949470 1342108991 /nfs/dbraw/zinc/10/89/91/1342108991.db2.gz IKKCKKBBJBNNGS-IBGZPJMESA-N 1 2 344.503 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c(c2)C[C@@H](C)O3)C1 ZINC001033991018 1342134118 /nfs/dbraw/zinc/13/41/18/1342134118.db2.gz DCVLZGWKDWDDSZ-RHSMWYFYSA-N 1 2 348.874 3.299 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c(c2)C[C@@H](C)O3)C1 ZINC001033991018 1342134119 /nfs/dbraw/zinc/13/41/19/1342134119.db2.gz DCVLZGWKDWDDSZ-RHSMWYFYSA-N 1 2 348.874 3.299 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccsc2)C1 ZINC001034089646 1342227552 /nfs/dbraw/zinc/22/75/52/1342227552.db2.gz FBNQASMHCCWVJO-CYBMUJFWSA-N 1 2 343.290 3.241 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)c2ccsc2)C1 ZINC001034089646 1342227553 /nfs/dbraw/zinc/22/75/53/1342227553.db2.gz FBNQASMHCCWVJO-CYBMUJFWSA-N 1 2 343.290 3.241 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001034351844 1342421666 /nfs/dbraw/zinc/42/16/66/1342421666.db2.gz UNCVPAGZRXLIEQ-GOEBONIOSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001034350772 1342421079 /nfs/dbraw/zinc/42/10/79/1342421079.db2.gz KHPPZPDRZIHYQA-UONOGXRCSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001034350772 1342421081 /nfs/dbraw/zinc/42/10/81/1342421081.db2.gz KHPPZPDRZIHYQA-UONOGXRCSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001034351844 1342421664 /nfs/dbraw/zinc/42/16/64/1342421664.db2.gz UNCVPAGZRXLIEQ-GOEBONIOSA-N 1 2 341.293 3.222 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@@H+]([C@H](C)c3ncc(C)o3)C2)C1 ZINC001034389268 1342458997 /nfs/dbraw/zinc/45/89/97/1342458997.db2.gz NYEYNRQYXPHORI-HZPDHXFCSA-N 1 2 331.460 3.371 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@H+]([C@H](C)c3ncc(C)o3)C2)C1 ZINC001034389268 1342458999 /nfs/dbraw/zinc/45/89/99/1342458999.db2.gz NYEYNRQYXPHORI-HZPDHXFCSA-N 1 2 331.460 3.371 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@@H+](Cc3ncc(CC)o3)C2)C1 ZINC001034389919 1342459908 /nfs/dbraw/zinc/45/99/08/1342459908.db2.gz WPROSOAGJYDFHG-OAHLLOKOSA-N 1 2 331.460 3.064 20 30 EGEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@H+](Cc3ncc(CC)o3)C2)C1 ZINC001034389919 1342459910 /nfs/dbraw/zinc/45/99/10/1342459910.db2.gz WPROSOAGJYDFHG-OAHLLOKOSA-N 1 2 331.460 3.064 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)NCC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001077924389 1356869315 /nfs/dbraw/zinc/86/93/15/1356869315.db2.gz DAKKNZNURPUJEO-CABCVRRESA-N 1 2 345.487 3.234 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC2(CC[N@@H+]([C@H](C)c3csnn3)C2)CC1 ZINC001035212593 1343031200 /nfs/dbraw/zinc/03/12/00/1343031200.db2.gz UYUSEZWUVRXXRZ-CQSZACIVSA-N 1 2 348.516 3.126 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCC2(CC[N@H+]([C@H](C)c3csnn3)C2)CC1 ZINC001035212593 1343031204 /nfs/dbraw/zinc/03/12/04/1343031204.db2.gz UYUSEZWUVRXXRZ-CQSZACIVSA-N 1 2 348.516 3.126 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C(C)C)c(Cl)c2)C1 ZINC001035618133 1343103778 /nfs/dbraw/zinc/10/37/78/1343103778.db2.gz DLOGVJWPJGKVJA-HNNXBMFYSA-N 1 2 336.863 3.080 20 30 EGEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C(C)C)c(Cl)c2)C1 ZINC001035618133 1343103782 /nfs/dbraw/zinc/10/37/82/1343103782.db2.gz DLOGVJWPJGKVJA-HNNXBMFYSA-N 1 2 336.863 3.080 20 30 EGEDLO C[C@@H](C#N)C(=O)N1CCC2(C[NH+](Cc3cc(F)ccc3Cl)C2)CC1 ZINC001035674539 1343132351 /nfs/dbraw/zinc/13/23/51/1343132351.db2.gz YLFLICCDVUKDRD-ZDUSSCGKSA-N 1 2 349.837 3.063 20 30 EGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)Cc1cccc(C)c1)CC2 ZINC001035781214 1343191762 /nfs/dbraw/zinc/19/17/62/1343191762.db2.gz NNBMKXWQWWYYPR-UHFFFAOYSA-N 1 2 332.875 3.214 20 30 EGEDLO C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038140851 1344295405 /nfs/dbraw/zinc/29/54/05/1344295405.db2.gz RKPQHPWYQGEGSJ-LRDDRELGSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038140851 1344295407 /nfs/dbraw/zinc/29/54/07/1344295407.db2.gz RKPQHPWYQGEGSJ-LRDDRELGSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038144058 1344297284 /nfs/dbraw/zinc/29/72/84/1344297284.db2.gz IUDHWYKMGHMCRU-OCCSQVGLSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@H](c1ccccc1Cl)[N@H+]1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038144058 1344297289 /nfs/dbraw/zinc/29/72/89/1344297289.db2.gz IUDHWYKMGHMCRU-OCCSQVGLSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038169187 1344308996 /nfs/dbraw/zinc/30/89/96/1344308996.db2.gz RQLHTNGIUWHONR-SJKOYZFVSA-N 1 2 342.830 3.105 20 30 EGEDLO C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038169187 1344308999 /nfs/dbraw/zinc/30/89/99/1344308999.db2.gz RQLHTNGIUWHONR-SJKOYZFVSA-N 1 2 342.830 3.105 20 30 EGEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1CCCCC1(F)F ZINC001038551702 1344480178 /nfs/dbraw/zinc/48/01/78/1344480178.db2.gz BNPFINPZMCUPGD-QZTJIDSGSA-N 1 2 346.421 3.054 20 30 EGEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1CCCCC1(F)F ZINC001038551702 1344480183 /nfs/dbraw/zinc/48/01/83/1344480183.db2.gz BNPFINPZMCUPGD-QZTJIDSGSA-N 1 2 346.421 3.054 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)CC1 ZINC001038661951 1344527662 /nfs/dbraw/zinc/52/76/62/1344527662.db2.gz NDEKVQAAASODSC-OAHLLOKOSA-N 1 2 329.469 3.057 20 30 EGEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)CC1 ZINC001038661951 1344527663 /nfs/dbraw/zinc/52/76/63/1344527663.db2.gz NDEKVQAAASODSC-OAHLLOKOSA-N 1 2 329.469 3.057 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(Cl)c1 ZINC001038809002 1344591687 /nfs/dbraw/zinc/59/16/87/1344591687.db2.gz VRPSIQCRCCVFPC-SQNIBIBYSA-N 1 2 348.874 3.012 20 30 EGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(Cl)c1 ZINC001038809002 1344591691 /nfs/dbraw/zinc/59/16/91/1344591691.db2.gz VRPSIQCRCCVFPC-SQNIBIBYSA-N 1 2 348.874 3.012 20 30 EGEDLO Cc1ccc(C)c(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)c1 ZINC001038964221 1344685959 /nfs/dbraw/zinc/68/59/59/1344685959.db2.gz QXEKAAYVJGMRPX-HNNXBMFYSA-N 1 2 339.464 3.241 20 30 EGEDLO Cc1ccc(C)c(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)c1 ZINC001038964221 1344685963 /nfs/dbraw/zinc/68/59/63/1344685963.db2.gz QXEKAAYVJGMRPX-HNNXBMFYSA-N 1 2 339.464 3.241 20 30 EGEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)c1ccc(C2CC2)cc1 ZINC001039038398 1344727430 /nfs/dbraw/zinc/72/74/30/1344727430.db2.gz CHAFQFIMWDHEEH-JOCHJYFZSA-N 1 2 344.458 3.420 20 30 EGEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)c1ccc(C2CC2)cc1 ZINC001039038398 1344727434 /nfs/dbraw/zinc/72/74/34/1344727434.db2.gz CHAFQFIMWDHEEH-JOCHJYFZSA-N 1 2 344.458 3.420 20 30 EGEDLO CC1(C)CCC(C(=O)NC[C@H]2CC[N@@H+]2CC#Cc2ccccc2)CC1 ZINC001039057934 1344740900 /nfs/dbraw/zinc/74/09/00/1344740900.db2.gz ZLYHXZVDHWROHN-HXUWFJFHSA-N 1 2 338.495 3.445 20 30 EGEDLO CC1(C)CCC(C(=O)NC[C@H]2CC[N@H+]2CC#Cc2ccccc2)CC1 ZINC001039057934 1344740902 /nfs/dbraw/zinc/74/09/02/1344740902.db2.gz ZLYHXZVDHWROHN-HXUWFJFHSA-N 1 2 338.495 3.445 20 30 EGEDLO CC1(C)CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001039059719 1344742598 /nfs/dbraw/zinc/74/25/98/1344742598.db2.gz HIBLUFPKEAJPMZ-VQTJNVASSA-N 1 2 338.495 3.445 20 30 EGEDLO CC1(C)CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001039059719 1344742599 /nfs/dbraw/zinc/74/25/99/1344742599.db2.gz HIBLUFPKEAJPMZ-VQTJNVASSA-N 1 2 338.495 3.445 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CCC1 ZINC001039353243 1345025399 /nfs/dbraw/zinc/02/53/99/1345025399.db2.gz HMULEDIXIWYJJH-CABCVRRESA-N 1 2 341.293 3.151 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CCC1 ZINC001039353243 1345025401 /nfs/dbraw/zinc/02/54/01/1345025401.db2.gz HMULEDIXIWYJJH-CABCVRRESA-N 1 2 341.293 3.151 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001039936820 1345251054 /nfs/dbraw/zinc/25/10/54/1345251054.db2.gz HQVPVECHGQJBJJ-AHRSYUTCSA-N 1 2 339.483 3.416 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001039936820 1345251057 /nfs/dbraw/zinc/25/10/57/1345251057.db2.gz HQVPVECHGQJBJJ-AHRSYUTCSA-N 1 2 339.483 3.416 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc4cnccc4o3)C[C@@H]21 ZINC001042135031 1345952683 /nfs/dbraw/zinc/95/26/83/1345952683.db2.gz SLIXRBNMWRKANE-ZFWWWQNUSA-N 1 2 345.830 3.117 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3cc4cnccc4o3)C[C@@H]21 ZINC001042135031 1345952684 /nfs/dbraw/zinc/95/26/84/1345952684.db2.gz SLIXRBNMWRKANE-ZFWWWQNUSA-N 1 2 345.830 3.117 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(C(C)C)no3)C[C@@H]21 ZINC001042257689 1346008521 /nfs/dbraw/zinc/00/85/21/1346008521.db2.gz KXRSNMBJSBASBH-ZFWWWQNUSA-N 1 2 337.851 3.087 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(C(C)C)no3)C[C@@H]21 ZINC001042257689 1346008523 /nfs/dbraw/zinc/00/85/23/1346008523.db2.gz KXRSNMBJSBASBH-ZFWWWQNUSA-N 1 2 337.851 3.087 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ncoc3C(C)C)C[C@H]21 ZINC001042305590 1346025416 /nfs/dbraw/zinc/02/54/16/1346025416.db2.gz ZYQBNTHKGPVGDS-ZIAGYGMSSA-N 1 2 337.851 3.087 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ncoc3C(C)C)C[C@H]21 ZINC001042305590 1346025418 /nfs/dbraw/zinc/02/54/18/1346025418.db2.gz ZYQBNTHKGPVGDS-ZIAGYGMSSA-N 1 2 337.851 3.087 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3sc(C)nc3C)C[C@@H]21 ZINC001042346701 1346048334 /nfs/dbraw/zinc/04/83/34/1346048334.db2.gz VNOPOWOBLCKEHK-KGLIPLIRSA-N 1 2 339.892 3.049 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3sc(C)nc3C)C[C@@H]21 ZINC001042346701 1346048337 /nfs/dbraw/zinc/04/83/37/1346048337.db2.gz VNOPOWOBLCKEHK-KGLIPLIRSA-N 1 2 339.892 3.049 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001043432210 1346176701 /nfs/dbraw/zinc/17/67/01/1346176701.db2.gz VCBZSSGBUMYIBS-UKRRQHHQSA-N 1 2 330.476 3.379 20 30 EGEDLO C=C1CCC(C(=O)N(C)C2C[NH+](CCOc3cccc(C)c3)C2)CC1 ZINC001043758978 1346204603 /nfs/dbraw/zinc/20/46/03/1346204603.db2.gz CHWQGKSSQSUSOJ-UHFFFAOYSA-N 1 2 342.483 3.263 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]1C[NH2+]Cc1nc(C(C)(C)C)no1 ZINC001045185982 1346522301 /nfs/dbraw/zinc/52/23/01/1346522301.db2.gz SCSSKVXJHPSRPJ-IFXJQAMLSA-N 1 2 348.491 3.050 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1C[NH2+]Cc1nc(C(C)(C)C)no1 ZINC001045185983 1346522540 /nfs/dbraw/zinc/52/25/40/1346522540.db2.gz SCSSKVXJHPSRPJ-LIRRHRJNSA-N 1 2 348.491 3.050 20 30 EGEDLO CC1(NC(=O)C2CCCC2)CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001045343801 1346566601 /nfs/dbraw/zinc/56/66/01/1346566601.db2.gz DHMOQJZUCGHUGI-UHFFFAOYSA-N 1 2 343.446 3.358 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@H](F)C2)CC1 ZINC001045539151 1346622596 /nfs/dbraw/zinc/62/25/96/1346622596.db2.gz SCRGIDAIXVBSET-STQMWFEESA-N 1 2 347.272 3.004 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@H](C)C2)CC1 ZINC001045576763 1346634268 /nfs/dbraw/zinc/63/42/68/1346634268.db2.gz AUPOFPNYPXXMMX-GXTWGEPZSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1coc(C)n1 ZINC001045840810 1346716764 /nfs/dbraw/zinc/71/67/64/1346716764.db2.gz QFEBSLVMQSOTEH-AOIWGVFYSA-N 1 2 331.460 3.151 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1coc(C)n1 ZINC001045840810 1346716765 /nfs/dbraw/zinc/71/67/65/1346716765.db2.gz QFEBSLVMQSOTEH-AOIWGVFYSA-N 1 2 331.460 3.151 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)c2cccc(C)c2)C1 ZINC001046110320 1346849864 /nfs/dbraw/zinc/84/98/64/1346849864.db2.gz BQORDVQHXHICTD-INIZCTEOSA-N 1 2 337.261 3.098 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)c2cccc(C)c2)C1 ZINC001046110320 1346849863 /nfs/dbraw/zinc/84/98/63/1346849863.db2.gz BQORDVQHXHICTD-INIZCTEOSA-N 1 2 337.261 3.098 20 30 EGEDLO C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)c2n[nH]c3ccc(C)cc32)C1 ZINC001046441121 1346976050 /nfs/dbraw/zinc/97/60/50/1346976050.db2.gz BVZCXKSJBPHVTK-LJQANCHMSA-N 1 2 326.444 3.032 20 30 EGEDLO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2n[nH]c3ccc(C)cc32)C1 ZINC001046441121 1346976053 /nfs/dbraw/zinc/97/60/53/1346976053.db2.gz BVZCXKSJBPHVTK-LJQANCHMSA-N 1 2 326.444 3.032 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCCC(F)(F)F)CC[C@H]1C ZINC001132321175 1375299617 /nfs/dbraw/zinc/29/96/17/1375299617.db2.gz CXOIFTDWEXQPOM-VXGBXAGGSA-N 1 2 326.790 3.441 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCCC(F)(F)F)CC[C@H]1C ZINC001132321175 1375299622 /nfs/dbraw/zinc/29/96/22/1375299622.db2.gz CXOIFTDWEXQPOM-VXGBXAGGSA-N 1 2 326.790 3.441 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001046523278 1347003518 /nfs/dbraw/zinc/00/35/18/1347003518.db2.gz BXVYGVNANWEKTH-SFHVURJKSA-N 1 2 331.847 3.423 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001046523278 1347003520 /nfs/dbraw/zinc/00/35/20/1347003520.db2.gz BXVYGVNANWEKTH-SFHVURJKSA-N 1 2 331.847 3.423 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2nccc3ccccc32)C1 ZINC001046581312 1347024865 /nfs/dbraw/zinc/02/48/65/1347024865.db2.gz JFGFQVSOFNCTGI-SFHVURJKSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2nccc3ccccc32)C1 ZINC001046581312 1347024868 /nfs/dbraw/zinc/02/48/68/1347024868.db2.gz JFGFQVSOFNCTGI-SFHVURJKSA-N 1 2 329.831 3.182 20 30 EGEDLO C=Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](CC(=C)Br)C2)cc1 ZINC001046647872 1347048437 /nfs/dbraw/zinc/04/84/37/1347048437.db2.gz RCFPWTHWILOCEB-KRWDZBQOSA-N 1 2 349.272 3.432 20 30 EGEDLO C=C1CCC(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ncc(C)s3)C2)CC1 ZINC001046594255 1347030586 /nfs/dbraw/zinc/03/05/86/1347030586.db2.gz FRQQNMKALLLXCB-SFHVURJKSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C1CCC(C(=O)N[C@@]2(C)CC[N@H+](Cc3ncc(C)s3)C2)CC1 ZINC001046594255 1347030588 /nfs/dbraw/zinc/03/05/88/1347030588.db2.gz FRQQNMKALLLXCB-SFHVURJKSA-N 1 2 333.501 3.279 20 30 EGEDLO C=C1CCC(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccn(C(C)C)n3)C2)CC1 ZINC001046594571 1347030630 /nfs/dbraw/zinc/03/06/30/1347030630.db2.gz KEAZRPHHKUDXHS-HXUWFJFHSA-N 1 2 344.503 3.291 20 30 EGEDLO C=C1CCC(C(=O)N[C@]2(C)CC[N@H+](Cc3ccn(C(C)C)n3)C2)CC1 ZINC001046594571 1347030631 /nfs/dbraw/zinc/03/06/31/1347030631.db2.gz KEAZRPHHKUDXHS-HXUWFJFHSA-N 1 2 344.503 3.291 20 30 EGEDLO C=Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](CC(=C)Br)C2)cc1 ZINC001046647872 1347048435 /nfs/dbraw/zinc/04/84/35/1347048435.db2.gz RCFPWTHWILOCEB-KRWDZBQOSA-N 1 2 349.272 3.432 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cccc(N3CCCC3)c2)C1 ZINC001046726986 1347074447 /nfs/dbraw/zinc/07/44/47/1347074447.db2.gz VPCWEDXANBQDCW-IBGZPJMESA-N 1 2 347.890 3.234 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cccc(N3CCCC3)c2)C1 ZINC001046726986 1347074450 /nfs/dbraw/zinc/07/44/50/1347074450.db2.gz VPCWEDXANBQDCW-IBGZPJMESA-N 1 2 347.890 3.234 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ncc(Cl)cc2Cl)C1 ZINC001046727284 1347074732 /nfs/dbraw/zinc/07/47/32/1347074732.db2.gz BXWLVJCUBMJUJQ-AWEZNQCLSA-N 1 2 348.661 3.335 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ncc(Cl)cc2Cl)C1 ZINC001046727284 1347074733 /nfs/dbraw/zinc/07/47/33/1347074733.db2.gz BXWLVJCUBMJUJQ-AWEZNQCLSA-N 1 2 348.661 3.335 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccnc(C(F)(F)F)c2)C1 ZINC001046746965 1347080650 /nfs/dbraw/zinc/08/06/50/1347080650.db2.gz AKLVRDAGNBRYFD-AWEZNQCLSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccnc(C(F)(F)F)c2)C1 ZINC001046746965 1347080651 /nfs/dbraw/zinc/08/06/51/1347080651.db2.gz AKLVRDAGNBRYFD-AWEZNQCLSA-N 1 2 347.768 3.047 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc3ccncc3c2)C1 ZINC001046752053 1347083534 /nfs/dbraw/zinc/08/35/34/1347083534.db2.gz XHDITLDBBKUVHL-GOSISDBHSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3ccncc3c2)C1 ZINC001046752053 1347083538 /nfs/dbraw/zinc/08/35/38/1347083538.db2.gz XHDITLDBBKUVHL-GOSISDBHSA-N 1 2 329.831 3.182 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(N(CC)CC)cc2)C1 ZINC001046798733 1347109414 /nfs/dbraw/zinc/10/94/14/1347109414.db2.gz MDIMFEDVSLKNAS-IBGZPJMESA-N 1 2 349.906 3.480 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(N(CC)CC)cc2)C1 ZINC001046798733 1347109415 /nfs/dbraw/zinc/10/94/15/1347109415.db2.gz MDIMFEDVSLKNAS-IBGZPJMESA-N 1 2 349.906 3.480 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001046858047 1347133159 /nfs/dbraw/zinc/13/31/59/1347133159.db2.gz LNVZINHYAZASRQ-IBGZPJMESA-N 1 2 332.875 3.430 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001046858047 1347133161 /nfs/dbraw/zinc/13/31/61/1347133161.db2.gz LNVZINHYAZASRQ-IBGZPJMESA-N 1 2 332.875 3.430 20 30 EGEDLO C[C@]1(NC(=O)c2ccc(F)s2)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001046865670 1347138208 /nfs/dbraw/zinc/13/82/08/1347138208.db2.gz DOWABUATQMBRMV-INIZCTEOSA-N 1 2 349.456 3.215 20 30 EGEDLO C[C@]1(NC(=O)c2ccc(F)s2)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001046865670 1347138210 /nfs/dbraw/zinc/13/82/10/1347138210.db2.gz DOWABUATQMBRMV-INIZCTEOSA-N 1 2 349.456 3.215 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccoc2CC)C1 ZINC001046932114 1347156280 /nfs/dbraw/zinc/15/62/80/1347156280.db2.gz HNKDLMLDPMIRJY-GFCCVEGCSA-N 1 2 346.805 3.282 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccoc2CC)C1 ZINC001046932114 1347156282 /nfs/dbraw/zinc/15/62/82/1347156282.db2.gz HNKDLMLDPMIRJY-GFCCVEGCSA-N 1 2 346.805 3.282 20 30 EGEDLO C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)C(F)C(F)(F)F)C2)CC1 ZINC001047240491 1347266282 /nfs/dbraw/zinc/26/62/82/1347266282.db2.gz DLQCEIDVUSPTNH-KGLIPLIRSA-N 1 2 336.373 3.023 20 30 EGEDLO C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](F)C(F)(F)F)C2)CC1 ZINC001047240491 1347266286 /nfs/dbraw/zinc/26/62/86/1347266286.db2.gz DLQCEIDVUSPTNH-KGLIPLIRSA-N 1 2 336.373 3.023 20 30 EGEDLO C/C=C(\C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001049405543 1347828590 /nfs/dbraw/zinc/82/85/90/1347828590.db2.gz HRCZKEWGSLZZCB-ISVUOXTPSA-N 1 2 341.430 3.229 20 30 EGEDLO C/C=C(\C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001049405543 1347828591 /nfs/dbraw/zinc/82/85/91/1347828591.db2.gz HRCZKEWGSLZZCB-ISVUOXTPSA-N 1 2 341.430 3.229 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1nccn1CC ZINC001049633319 1347945107 /nfs/dbraw/zinc/94/51/07/1347945107.db2.gz JFYZUNBODOPVOE-IRXDYDNUSA-N 1 2 344.503 3.071 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1nccn1CC ZINC001049633319 1347945109 /nfs/dbraw/zinc/94/51/09/1347945109.db2.gz JFYZUNBODOPVOE-IRXDYDNUSA-N 1 2 344.503 3.071 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1nccs1 ZINC001049692618 1347974866 /nfs/dbraw/zinc/97/48/66/1347974866.db2.gz HULLCQOYEBBTIJ-IIDMSEBBSA-N 1 2 333.501 3.311 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1nccs1 ZINC001049692618 1347974868 /nfs/dbraw/zinc/97/48/68/1347974868.db2.gz HULLCQOYEBBTIJ-IIDMSEBBSA-N 1 2 333.501 3.311 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ncoc1C(C)C ZINC001049833556 1348046848 /nfs/dbraw/zinc/04/68/48/1348046848.db2.gz DLQYWLFPUCQAHA-ZIAGYGMSSA-N 1 2 337.851 3.229 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ncoc1C(C)C ZINC001049833556 1348046849 /nfs/dbraw/zinc/04/68/49/1348046849.db2.gz DLQYWLFPUCQAHA-ZIAGYGMSSA-N 1 2 337.851 3.229 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(F)s1 ZINC001049926894 1348117877 /nfs/dbraw/zinc/11/78/77/1348117877.db2.gz SJHKOCJGZDRTOR-NEPJUHHUSA-N 1 2 328.840 3.319 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(F)s1 ZINC001049926894 1348117880 /nfs/dbraw/zinc/11/78/80/1348117880.db2.gz SJHKOCJGZDRTOR-NEPJUHHUSA-N 1 2 328.840 3.319 20 30 EGEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)CC1CCCCC1)CCO2 ZINC001053453310 1349036412 /nfs/dbraw/zinc/03/64/12/1349036412.db2.gz WKNVOABIRPVAGR-KRWDZBQOSA-N 1 2 334.504 3.082 20 30 EGEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC[C@H](C3CCC3)CC1)O2 ZINC001053609770 1349076492 /nfs/dbraw/zinc/07/64/92/1349076492.db2.gz DINGTFQCSVPJEJ-FHWLQOOXSA-N 1 2 346.515 3.129 20 30 EGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(Cl)ccc1C)O2 ZINC001053677624 1349090855 /nfs/dbraw/zinc/09/08/55/1349090855.db2.gz DUDMNYNEJBHUJA-INIZCTEOSA-N 1 2 348.874 3.188 20 30 EGEDLO C=C1CCC(C(=O)N[C@H]2COC3(C[NH+](CC4=CCCCC4)C3)C2)CC1 ZINC001053914070 1349122865 /nfs/dbraw/zinc/12/28/65/1349122865.db2.gz FWYSMWOQSGMOHY-LJQANCHMSA-N 1 2 344.499 3.193 20 30 EGEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1oc(C)cc1C ZINC001054036833 1349132623 /nfs/dbraw/zinc/13/26/23/1349132623.db2.gz RQCIIGFBXDUYPQ-IBGZPJMESA-N 1 2 336.435 3.076 20 30 EGEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1oc(C)cc1C ZINC001054036833 1349132626 /nfs/dbraw/zinc/13/26/26/1349132626.db2.gz RQCIIGFBXDUYPQ-IBGZPJMESA-N 1 2 336.435 3.076 20 30 EGEDLO C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1sc(C)nc1C ZINC001054059092 1349140846 /nfs/dbraw/zinc/14/08/46/1349140846.db2.gz GKNHSNGDNUXHOL-QGZVFWFLSA-N 1 2 341.480 3.103 20 30 EGEDLO C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1sc(C)nc1C ZINC001054059092 1349140851 /nfs/dbraw/zinc/14/08/51/1349140851.db2.gz GKNHSNGDNUXHOL-QGZVFWFLSA-N 1 2 341.480 3.103 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc3ccccc3c2C)C1 ZINC001080150730 1357502788 /nfs/dbraw/zinc/50/27/88/1357502788.db2.gz RPOFKSKYFAPEDZ-KZULUSFZSA-N 1 2 343.858 3.346 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc3ccccc3c2C)C1 ZINC001080150730 1357502790 /nfs/dbraw/zinc/50/27/90/1357502790.db2.gz RPOFKSKYFAPEDZ-KZULUSFZSA-N 1 2 343.858 3.346 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H](C)[C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001060369028 1350870839 /nfs/dbraw/zinc/87/08/39/1350870839.db2.gz FOOFERFCAFFJEX-MAUKXSAKSA-N 1 2 342.487 3.253 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@@H](CNc3cc(C)[nH+]c(C4CC4)n3)C2)C1 ZINC001060983148 1351205086 /nfs/dbraw/zinc/20/50/86/1351205086.db2.gz CYGUFRGYZPUEEU-HNNXBMFYSA-N 1 2 340.471 3.279 20 30 EGEDLO C=C1CCC(C(=O)NC[C@@H]2CCN(c3nc(C)[nH+]c(C)c3C)C2)CC1 ZINC001061714261 1351364699 /nfs/dbraw/zinc/36/46/99/1351364699.db2.gz LNGPQEKERXPZPK-KRWDZBQOSA-N 1 2 342.487 3.091 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001080395814 1357604999 /nfs/dbraw/zinc/60/49/99/1357604999.db2.gz NWHDYPXJTPXSNN-KWCYVHTRSA-N 1 2 343.309 3.158 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001080395814 1357605002 /nfs/dbraw/zinc/60/50/02/1357605002.db2.gz NWHDYPXJTPXSNN-KWCYVHTRSA-N 1 2 343.309 3.158 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cc(CC)[nH+]c(C)n1 ZINC001064533557 1352617614 /nfs/dbraw/zinc/61/76/14/1352617614.db2.gz RPTMYOMAFIFZHE-CALCHBBNSA-N 1 2 342.487 3.129 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)c(F)c2)C1 ZINC001080499379 1357645794 /nfs/dbraw/zinc/64/57/94/1357645794.db2.gz VZOQVVHSSHZZIF-YMTOWFKASA-N 1 2 331.218 3.282 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)c(F)c2)C1 ZINC001080499379 1357645796 /nfs/dbraw/zinc/64/57/96/1357645796.db2.gz VZOQVVHSSHZZIF-YMTOWFKASA-N 1 2 331.218 3.282 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc3ccccc3c2)C1 ZINC001080514823 1357652177 /nfs/dbraw/zinc/65/21/77/1357652177.db2.gz PAPKNGIMRSYNRP-SJKOYZFVSA-N 1 2 329.831 3.037 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc3ccccc3c2)C1 ZINC001080514823 1357652180 /nfs/dbraw/zinc/65/21/80/1357652180.db2.gz PAPKNGIMRSYNRP-SJKOYZFVSA-N 1 2 329.831 3.037 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@]2(CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001066872595 1353260727 /nfs/dbraw/zinc/26/07/27/1353260727.db2.gz SIVFUAFIEUGLQE-VQTJNVASSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001067181820 1353330383 /nfs/dbraw/zinc/33/03/83/1353330383.db2.gz ZMORUKZEIXXIJC-DYVFJYSZSA-N 1 2 342.487 3.135 20 30 EGEDLO C=C1CCC(C(=O)N[C@@H]2CCN(c3cc[nH+]c(C)n3)CC2(C)C)CC1 ZINC001067338273 1353371285 /nfs/dbraw/zinc/37/12/85/1353371285.db2.gz QPDSLYWHUYVJLR-QGZVFWFLSA-N 1 2 342.487 3.253 20 30 EGEDLO N#C[C@@H](CC(=O)NCCn1cc[nH+]c1)c1c(Cl)cccc1Cl ZINC001183092310 1387261061 /nfs/dbraw/zinc/26/10/61/1387261061.db2.gz XFTFEURLJIYQPE-LLVKDONJSA-N 1 2 337.210 3.004 20 30 EGEDLO C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@H](Nc3cc[nH+]c(C)n3)[C@H]2C1 ZINC001069316404 1353999958 /nfs/dbraw/zinc/99/99/58/1353999958.db2.gz SFBCCOPYMOCRGD-JYJNAYRXSA-N 1 2 328.460 3.036 20 30 EGEDLO C=C1CCC(C(=O)N2C[C@H](Nc3cc[nH+]c(C)n3)C(C)(C)C2)CC1 ZINC001069611764 1354168812 /nfs/dbraw/zinc/16/88/12/1354168812.db2.gz NOROSYVWYVLWAS-INIZCTEOSA-N 1 2 328.460 3.180 20 30 EGEDLO C=C(C)CC[N@@H+]1Cc2cnn(C3CCN(C(=O)[C@@H](C)CC)CC3)c2C1 ZINC001070343303 1354325120 /nfs/dbraw/zinc/32/51/20/1354325120.db2.gz OKQAXECGGCAHSF-INIZCTEOSA-N 1 2 344.503 3.375 20 30 EGEDLO C=C(C)CC[N@H+]1Cc2cnn(C3CCN(C(=O)[C@@H](C)CC)CC3)c2C1 ZINC001070343303 1354325124 /nfs/dbraw/zinc/32/51/24/1354325124.db2.gz OKQAXECGGCAHSF-INIZCTEOSA-N 1 2 344.503 3.375 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)c2cccs2)C[N@@H+]1Cc1ccccc1C#N ZINC001071328861 1354592761 /nfs/dbraw/zinc/59/27/61/1354592761.db2.gz FEXNIHBSIBQQNH-RHSMWYFYSA-N 1 2 339.464 3.403 20 30 EGEDLO C[C@@H]1CC[C@@H](NC(=O)c2cccs2)C[N@H+]1Cc1ccccc1C#N ZINC001071328861 1354592764 /nfs/dbraw/zinc/59/27/64/1354592764.db2.gz FEXNIHBSIBQQNH-RHSMWYFYSA-N 1 2 339.464 3.403 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccc3c2COCC3)CC[C@H]1C ZINC001071564103 1354765783 /nfs/dbraw/zinc/76/57/83/1354765783.db2.gz AAIQCCXFHSHCHC-GDBMZVCRSA-N 1 2 348.874 3.095 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cccc3c2COCC3)CC[C@H]1C ZINC001071564103 1354765785 /nfs/dbraw/zinc/76/57/85/1354765785.db2.gz AAIQCCXFHSHCHC-GDBMZVCRSA-N 1 2 348.874 3.095 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc(F)c(F)c2)CC[C@@H]1C ZINC001071569013 1354769439 /nfs/dbraw/zinc/76/94/39/1354769439.db2.gz VHFNORHZPVPGNW-WCQYABFASA-N 1 2 328.790 3.300 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc(F)c(F)c2)CC[C@@H]1C ZINC001071569013 1354769444 /nfs/dbraw/zinc/76/94/44/1354769444.db2.gz VHFNORHZPVPGNW-WCQYABFASA-N 1 2 328.790 3.300 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cnoc2-c2ccco2)CC[C@H]1C ZINC001071609809 1354794269 /nfs/dbraw/zinc/79/42/69/1354794269.db2.gz NVYJAVKHJRZNLL-OLZOCXBDSA-N 1 2 349.818 3.270 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cnoc2-c2ccco2)CC[C@H]1C ZINC001071609809 1354794271 /nfs/dbraw/zinc/79/42/71/1354794271.db2.gz NVYJAVKHJRZNLL-OLZOCXBDSA-N 1 2 349.818 3.270 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C(C)(C)c2cccnc2)CC[C@@H]1C ZINC001071630948 1354813585 /nfs/dbraw/zinc/81/35/85/1354813585.db2.gz FXNLLOZVGACXMU-GOEBONIOSA-N 1 2 335.879 3.081 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C(C)(C)c2cccnc2)CC[C@@H]1C ZINC001071630948 1354813589 /nfs/dbraw/zinc/81/35/89/1354813589.db2.gz FXNLLOZVGACXMU-GOEBONIOSA-N 1 2 335.879 3.081 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2[nH]nc3ccc(C)cc32)CC[C@@H]1C ZINC001071642651 1354820952 /nfs/dbraw/zinc/82/09/52/1354820952.db2.gz UUTVTYXTIAQKPM-KBPBESRZSA-N 1 2 346.862 3.207 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2[nH]nc3ccc(C)cc32)CC[C@@H]1C ZINC001071642651 1354820958 /nfs/dbraw/zinc/82/09/58/1354820958.db2.gz UUTVTYXTIAQKPM-KBPBESRZSA-N 1 2 346.862 3.207 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc(F)ccc2OC)CC[C@@H]1C ZINC001071725260 1354881882 /nfs/dbraw/zinc/88/18/82/1354881882.db2.gz SLZBMZGMSFVIOW-JSGCOSHPSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc(F)ccc2OC)CC[C@@H]1C ZINC001071725260 1354881887 /nfs/dbraw/zinc/88/18/87/1354881887.db2.gz SLZBMZGMSFVIOW-JSGCOSHPSA-N 1 2 340.826 3.170 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2csc(Cl)n2)CC[C@H]1C ZINC001071966728 1355048800 /nfs/dbraw/zinc/04/88/00/1355048800.db2.gz HKHYVSLWFVPWCH-ZJUUUORDSA-N 1 2 334.272 3.132 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2csc(Cl)n2)CC[C@H]1C ZINC001071966728 1355048804 /nfs/dbraw/zinc/04/88/04/1355048804.db2.gz HKHYVSLWFVPWCH-ZJUUUORDSA-N 1 2 334.272 3.132 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc(N(C)C)cc2)CC[C@H]1C ZINC001072029564 1355090316 /nfs/dbraw/zinc/09/03/16/1355090316.db2.gz IMAPILYEIFMUJX-ZBFHGGJFSA-N 1 2 335.879 3.088 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc(N(C)C)cc2)CC[C@H]1C ZINC001072029564 1355090318 /nfs/dbraw/zinc/09/03/18/1355090318.db2.gz IMAPILYEIFMUJX-ZBFHGGJFSA-N 1 2 335.879 3.088 20 30 EGEDLO CC#CC[N@@H+]1C[C@H](NC(=O)c2sc(Cl)nc2Cl)CC[C@H]1C ZINC001072076523 1355115221 /nfs/dbraw/zinc/11/52/21/1355115221.db2.gz QIAMGTPBUUTPKY-NXEZZACHSA-N 1 2 346.283 3.056 20 30 EGEDLO CC1(C(=O)N2CC3(C2)CC[N@H+](CC#Cc2ccccc2Cl)C3)CC1 ZINC001072765773 1355423396 /nfs/dbraw/zinc/42/33/96/1355423396.db2.gz SNJXUXJRGXGBJA-UHFFFAOYSA-N 1 2 342.870 3.026 20 30 EGEDLO CC1(C(=O)N2CC3(C2)CC[N@@H+](CC#Cc2ccccc2Cl)C3)CC1 ZINC001072765773 1355423399 /nfs/dbraw/zinc/42/33/99/1355423399.db2.gz SNJXUXJRGXGBJA-UHFFFAOYSA-N 1 2 342.870 3.026 20 30 EGEDLO C=C1CCC(C(=O)N2CCCC[C@@H]2C[N@@H+](C)Cc2ncccn2)CC1 ZINC001074060377 1356059661 /nfs/dbraw/zinc/05/96/61/1356059661.db2.gz NGPJMRGQETZSPK-GOSISDBHSA-N 1 2 342.487 3.036 20 30 EGEDLO C=C1CCC(C(=O)N2CCCC[C@@H]2C[N@H+](C)Cc2ncccn2)CC1 ZINC001074060377 1356059664 /nfs/dbraw/zinc/05/96/64/1356059664.db2.gz NGPJMRGQETZSPK-GOSISDBHSA-N 1 2 342.487 3.036 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)C3CCCC3)C[C@H]21 ZINC001074267025 1356149879 /nfs/dbraw/zinc/14/98/79/1356149879.db2.gz VVGFDCAMGWJFLF-QZTJIDSGSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)C3CCCC3)C[C@H]21 ZINC001074267025 1356149882 /nfs/dbraw/zinc/14/98/82/1356149882.db2.gz VVGFDCAMGWJFLF-QZTJIDSGSA-N 1 2 334.504 3.081 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3OCC[N@H+](CC4=CCCCC4)[C@@H]3C2)C1 ZINC001074333672 1356173448 /nfs/dbraw/zinc/17/34/48/1356173448.db2.gz GIRCDFAZTOTQNI-MOPGFXCFSA-N 1 2 344.499 3.145 20 30 EGEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3OCC[N@@H+](CC4=CCCCC4)[C@@H]3C2)C1 ZINC001074333672 1356173450 /nfs/dbraw/zinc/17/34/50/1356173450.db2.gz GIRCDFAZTOTQNI-MOPGFXCFSA-N 1 2 344.499 3.145 20 30 EGEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C34CC(C(C)(C)C)(C3)C4)C[C@@H]21 ZINC001074415267 1356197661 /nfs/dbraw/zinc/19/76/61/1356197661.db2.gz NNNVRHALSHVSPE-ZGDXVETISA-N 1 2 346.515 3.081 20 30 EGEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C34CC(C(C)(C)C)(C3)C4)C[C@@H]21 ZINC001074415267 1356197665 /nfs/dbraw/zinc/19/76/65/1356197665.db2.gz NNNVRHALSHVSPE-ZGDXVETISA-N 1 2 346.515 3.081 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2OCC2CC2)C1 ZINC001080989742 1357776153 /nfs/dbraw/zinc/77/61/53/1357776153.db2.gz WKRIGCDXSODYFA-CXAGYDPISA-N 1 2 348.874 3.278 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2OCC2CC2)C1 ZINC001080989742 1357776156 /nfs/dbraw/zinc/77/61/56/1357776156.db2.gz WKRIGCDXSODYFA-CXAGYDPISA-N 1 2 348.874 3.278 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001081001495 1357777621 /nfs/dbraw/zinc/77/76/21/1357777621.db2.gz KVKSCAWTFNNBKL-RHSMWYFYSA-N 1 2 332.875 3.216 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001081001495 1357777625 /nfs/dbraw/zinc/77/76/25/1357777625.db2.gz KVKSCAWTFNNBKL-RHSMWYFYSA-N 1 2 332.875 3.216 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCC3(F)F)[C@@H]2C1 ZINC001084547120 1358234963 /nfs/dbraw/zinc/23/49/63/1358234963.db2.gz RWZIOFACPZIAEY-MGPQQGTHSA-N 1 2 332.822 3.097 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCC3(F)F)[C@@H]2C1 ZINC001084547120 1358234966 /nfs/dbraw/zinc/23/49/66/1358234966.db2.gz RWZIOFACPZIAEY-MGPQQGTHSA-N 1 2 332.822 3.097 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)C(C3CC3)C3CC3)[C@@H]2C1 ZINC001084765400 1358304588 /nfs/dbraw/zinc/30/45/88/1358304588.db2.gz XNGIWCHRSGMJAD-WOJBJXKFSA-N 1 2 349.478 3.027 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)C(C3CC3)C3CC3)[C@@H]2C1 ZINC001084765400 1358304590 /nfs/dbraw/zinc/30/45/90/1358304590.db2.gz XNGIWCHRSGMJAD-WOJBJXKFSA-N 1 2 349.478 3.027 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3Cl)[C@@H]2C1 ZINC001084790160 1358310099 /nfs/dbraw/zinc/31/00/99/1358310099.db2.gz ODRMFXAYYSCUIK-IUODEOHRSA-N 1 2 325.239 3.239 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3Cl)[C@@H]2C1 ZINC001084790160 1358310106 /nfs/dbraw/zinc/31/01/06/1358310106.db2.gz ODRMFXAYYSCUIK-IUODEOHRSA-N 1 2 325.239 3.239 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)c3ccccc3)[C@@H]2C1 ZINC001084812927 1358318418 /nfs/dbraw/zinc/31/84/18/1358318418.db2.gz FQUNZBGMFAPHOV-ZTFGCOKTSA-N 1 2 332.875 3.465 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)c3ccccc3)[C@@H]2C1 ZINC001084812927 1358318422 /nfs/dbraw/zinc/31/84/22/1358318422.db2.gz FQUNZBGMFAPHOV-ZTFGCOKTSA-N 1 2 332.875 3.465 20 30 EGEDLO CC[C@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001084892073 1358341245 /nfs/dbraw/zinc/34/12/45/1358341245.db2.gz KEOQGMWQFYYQHN-KHYOSLBOSA-N 1 2 343.446 3.166 20 30 EGEDLO CC[C@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001084892073 1358341248 /nfs/dbraw/zinc/34/12/48/1358341248.db2.gz KEOQGMWQFYYQHN-KHYOSLBOSA-N 1 2 343.446 3.166 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)c1ccccc1 ZINC001085461841 1358515774 /nfs/dbraw/zinc/51/57/74/1358515774.db2.gz PERIATUOYYBWTE-GOSISDBHSA-N 1 2 337.398 3.044 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)c1ccccc1 ZINC001085461841 1358515776 /nfs/dbraw/zinc/51/57/76/1358515776.db2.gz PERIATUOYYBWTE-GOSISDBHSA-N 1 2 337.398 3.044 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@H]1CCCC12CC2 ZINC001085668184 1358673331 /nfs/dbraw/zinc/67/33/31/1358673331.db2.gz XFOHMXTZWIVHCX-VQTJNVASSA-N 1 2 336.479 3.151 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@H]1CCCC12CC2 ZINC001085668184 1358673332 /nfs/dbraw/zinc/67/33/32/1358673332.db2.gz XFOHMXTZWIVHCX-VQTJNVASSA-N 1 2 336.479 3.151 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@H]1CCC1(C)C ZINC001085775147 1358748385 /nfs/dbraw/zinc/74/83/85/1358748385.db2.gz QEJMVKPVQVGACS-QZTJIDSGSA-N 1 2 325.456 3.027 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@H]1CCC1(C)C ZINC001085775147 1358748389 /nfs/dbraw/zinc/74/83/89/1358748389.db2.gz QEJMVKPVQVGACS-QZTJIDSGSA-N 1 2 325.456 3.027 20 30 EGEDLO C=CCOc1ccccc1[C@H](C)NC(=O)CCc1ccc(N)[nH+]c1 ZINC001183938792 1387373695 /nfs/dbraw/zinc/37/36/95/1387373695.db2.gz AGGBIUFVTIAUPQ-AWEZNQCLSA-N 1 2 325.412 3.039 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc[nH]c2C)C1 ZINC001086582070 1359155084 /nfs/dbraw/zinc/15/50/84/1359155084.db2.gz XZGGJOMGYNBVIV-ZWKOTPCHSA-N 1 2 343.858 3.273 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc[nH]c2C)C1 ZINC001086582070 1359155087 /nfs/dbraw/zinc/15/50/87/1359155087.db2.gz XZGGJOMGYNBVIV-ZWKOTPCHSA-N 1 2 343.858 3.273 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CC2CCCC2)[C@H]1CC ZINC001087490445 1359492608 /nfs/dbraw/zinc/49/26/08/1359492608.db2.gz WZYLIPOOIJMEMY-LSDHHAIUSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CC2CCCC2)[C@H]1CC ZINC001087490445 1359492609 /nfs/dbraw/zinc/49/26/09/1359492609.db2.gz WZYLIPOOIJMEMY-LSDHHAIUSA-N 1 2 343.309 3.444 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(C)noc2CCC)[C@H]1CC ZINC001087569219 1359536197 /nfs/dbraw/zinc/53/61/97/1359536197.db2.gz JMBLIZJCLWBJOG-UONOGXRCSA-N 1 2 339.867 3.271 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(C)noc2CCC)[C@H]1CC ZINC001087569219 1359536200 /nfs/dbraw/zinc/53/62/00/1359536200.db2.gz JMBLIZJCLWBJOG-UONOGXRCSA-N 1 2 339.867 3.271 20 30 EGEDLO C=CC(C)(C)C(=O)N1CCCCC[C@H]([NH2+]Cc2noc(CCC)n2)C1 ZINC001088358979 1359842469 /nfs/dbraw/zinc/84/24/69/1359842469.db2.gz OPRRJNNXMJOUNK-HNNXBMFYSA-N 1 2 348.491 3.095 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C2CCCC2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088441175 1359905841 /nfs/dbraw/zinc/90/58/41/1359905841.db2.gz PXPVCNLIGMDKHE-BEFAXECRSA-N 1 2 344.886 3.461 20 30 EGEDLO C[C@@H]1[C@@H](NC(=O)C2CCCC2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088441175 1359905846 /nfs/dbraw/zinc/90/58/46/1359905846.db2.gz PXPVCNLIGMDKHE-BEFAXECRSA-N 1 2 344.886 3.461 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccoc2C(F)(F)F)[C@H]1C ZINC001088592898 1359985670 /nfs/dbraw/zinc/98/56/70/1359985670.db2.gz DMVHOEWDDRHASL-KOLCDFICSA-N 1 2 336.741 3.244 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccoc2C(F)(F)F)[C@H]1C ZINC001088592898 1359985673 /nfs/dbraw/zinc/98/56/73/1359985673.db2.gz DMVHOEWDDRHASL-KOLCDFICSA-N 1 2 336.741 3.244 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc([C@H]3CCOC3)c2)[C@H]1C ZINC001088681937 1360010809 /nfs/dbraw/zinc/01/08/09/1360010809.db2.gz ADWSQQVDHUJDGZ-JLSDUUJJSA-N 1 2 348.874 3.136 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc([C@H]3CCOC3)c2)[C@H]1C ZINC001088681937 1360010812 /nfs/dbraw/zinc/01/08/12/1360010812.db2.gz ADWSQQVDHUJDGZ-JLSDUUJJSA-N 1 2 348.874 3.136 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(c3cccnc3)CCCC2)[C@H]1C ZINC001088822301 1360063856 /nfs/dbraw/zinc/06/38/56/1360063856.db2.gz MMOKKOKDRMTWBP-WBVHZDCISA-N 1 2 347.890 3.225 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(c3cccnc3)CCCC2)[C@H]1C ZINC001088822301 1360063860 /nfs/dbraw/zinc/06/38/60/1360063860.db2.gz MMOKKOKDRMTWBP-WBVHZDCISA-N 1 2 347.890 3.225 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2coc(C3CCCC3)n2)[C@H]1C ZINC001088947992 1360110746 /nfs/dbraw/zinc/11/07/46/1360110746.db2.gz FZIKUSMGRKTLGQ-OCCSQVGLSA-N 1 2 337.851 3.277 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2coc(C3CCCC3)n2)[C@H]1C ZINC001088947992 1360110750 /nfs/dbraw/zinc/11/07/50/1360110750.db2.gz FZIKUSMGRKTLGQ-OCCSQVGLSA-N 1 2 337.851 3.277 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnoc2-c2ccccc2)[C@H]1C ZINC001088950182 1360110910 /nfs/dbraw/zinc/11/09/10/1360110910.db2.gz BIYHMQAENOCKPD-CJNGLKHVSA-N 1 2 345.830 3.287 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnoc2-c2ccccc2)[C@H]1C ZINC001088950182 1360110913 /nfs/dbraw/zinc/11/09/13/1360110913.db2.gz BIYHMQAENOCKPD-CJNGLKHVSA-N 1 2 345.830 3.287 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2Cc3c2cccc3Cl)[C@H]1C ZINC001089068751 1360158170 /nfs/dbraw/zinc/15/81/70/1360158170.db2.gz SQJUGDDVKZTJSJ-XFJVYGCCSA-N 1 2 339.266 3.311 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2Cc3c2cccc3Cl)[C@H]1C ZINC001089068751 1360158173 /nfs/dbraw/zinc/15/81/73/1360158173.db2.gz SQJUGDDVKZTJSJ-XFJVYGCCSA-N 1 2 339.266 3.311 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089168236 1360223231 /nfs/dbraw/zinc/22/32/31/1360223231.db2.gz QLFXLLUIGQTWAX-DYVFJYSZSA-N 1 2 344.503 3.478 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H](C)[C@H](CNc3cc[nH+]c(C)n3)C2)CC1 ZINC001089184358 1360234568 /nfs/dbraw/zinc/23/45/68/1360234568.db2.gz ABUYKILPZYLIPW-NVXWUHKLSA-N 1 2 342.487 3.428 20 30 EGEDLO C=CCCOCCCCC(=O)N[C@H](C)C[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001089405614 1360404637 /nfs/dbraw/zinc/40/46/37/1360404637.db2.gz RRXVHCCDFHCAID-JKSUJKDBSA-N 1 2 348.491 3.243 20 30 EGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ncoc1CC ZINC001089620694 1360539699 /nfs/dbraw/zinc/53/96/99/1360539699.db2.gz CLZIAXKXMMCKKK-ZDUSSCGKSA-N 1 2 339.867 3.210 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ncoc1CC ZINC001089620694 1360539700 /nfs/dbraw/zinc/53/97/00/1360539700.db2.gz CLZIAXKXMMCKKK-ZDUSSCGKSA-N 1 2 339.867 3.210 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H](CNc2cc[nH+]c(C)n2)[C@@H](C)C1 ZINC001090282077 1360886261 /nfs/dbraw/zinc/88/62/61/1360886261.db2.gz TWKBNWRWBFZMRB-FUHWJXTLSA-N 1 2 342.487 3.265 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CCCC[C@H]1Nc1cc[nH+]c(C)n1 ZINC001091289080 1361032798 /nfs/dbraw/zinc/03/27/98/1361032798.db2.gz VILRBONMWOWRKG-IAGOWNOFSA-N 1 2 328.460 3.208 20 30 EGEDLO C=CCCCC(=O)N[C@H]1CCN(c2nc(C)[nH+]c3c2CCCC3)[C@@H]1C ZINC001092053476 1361283950 /nfs/dbraw/zinc/28/39/50/1361283950.db2.gz RSOWXARGWOZVSZ-PBHICJAKSA-N 1 2 342.487 3.104 20 30 EGEDLO C=CC(C)(C)C(=O)NCC1CC(Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001092251770 1361342199 /nfs/dbraw/zinc/34/21/99/1361342199.db2.gz JKJFBPHDFRKGTM-UHFFFAOYSA-N 1 2 342.487 3.183 20 30 EGEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C1(C)CCCCCC1)c1nccn12 ZINC001092372279 1361370905 /nfs/dbraw/zinc/37/09/05/1361370905.db2.gz AMHOYXZVLWYARX-INIZCTEOSA-N 1 2 342.487 3.002 20 30 EGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001093037940 1361513964 /nfs/dbraw/zinc/51/39/64/1361513964.db2.gz ZZWUAUSHQFSLOP-VQHPVUNQSA-N 1 2 342.487 3.176 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@H]21 ZINC001093336761 1361561835 /nfs/dbraw/zinc/56/18/35/1361561835.db2.gz PHCSWDGDMBDQPN-KBEGMRNHSA-N 1 2 342.487 3.062 20 30 EGEDLO C=C(C)C(C)(C)C(=O)NC1CC2(C1)CC(Nc1cc[nH+]c(C)n1)C2 ZINC001093441075 1361624848 /nfs/dbraw/zinc/62/48/48/1361624848.db2.gz NGNKHVOXJGIYKX-UHFFFAOYSA-N 1 2 328.460 3.227 20 30 EGEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3c(C)cccc3C)CC2)C1 ZINC001093576272 1361647240 /nfs/dbraw/zinc/64/72/40/1361647240.db2.gz WGVPGGQEGMNIFY-UHFFFAOYSA-N 1 2 342.483 3.185 20 30 EGEDLO CCCCCCCCCC(=O)NCCNc1[nH+]cnc2c1cnn2C ZINC001093602330 1361655711 /nfs/dbraw/zinc/65/57/11/1361655711.db2.gz SEEKNOSDPBBQSN-UHFFFAOYSA-N 1 2 346.479 3.032 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001095137539 1362028854 /nfs/dbraw/zinc/02/88/54/1362028854.db2.gz TYVZNIMEXGNZHZ-MRXNPFEDSA-N 1 2 330.476 3.041 20 30 EGEDLO C=CCC1(C(=O)N2CCC[C@H](Nc3cc[nH+]c(C)n3)C2)CCCC1 ZINC001095302855 1362090564 /nfs/dbraw/zinc/09/05/64/1362090564.db2.gz OUOWZCQOWAYCMW-INIZCTEOSA-N 1 2 328.460 3.324 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095446469 1362143827 /nfs/dbraw/zinc/14/38/27/1362143827.db2.gz UCGRPHKCKNUEHK-IBGZPJMESA-N 1 2 330.476 3.089 20 30 EGEDLO C=CC[C@H](C(=O)NCCCN(C)c1cc[nH+]c(C)n1)c1ccccc1 ZINC001095568570 1362171734 /nfs/dbraw/zinc/17/17/34/1362171734.db2.gz XNBSVBMYTHWCIP-SFHVURJKSA-N 1 2 338.455 3.087 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001095649898 1362196351 /nfs/dbraw/zinc/19/63/51/1362196351.db2.gz WKOQLIJZCTUKIX-UHFFFAOYSA-N 1 2 344.503 3.209 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ccsc3[nH]1)C2 ZINC001095840354 1362252091 /nfs/dbraw/zinc/25/20/91/1362252091.db2.gz UGUMDLAUTPXAPS-DYEKYZERSA-N 1 2 335.860 3.317 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ccsc3[nH]1)C2 ZINC001095840354 1362252093 /nfs/dbraw/zinc/25/20/93/1362252093.db2.gz UGUMDLAUTPXAPS-DYEKYZERSA-N 1 2 335.860 3.317 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nccc3ccccc31)C2 ZINC001095936896 1362294027 /nfs/dbraw/zinc/29/40/27/1362294027.db2.gz MOIAAGVZISMTPX-PVAVHDDUSA-N 1 2 341.842 3.322 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nccc3ccccc31)C2 ZINC001095936896 1362294031 /nfs/dbraw/zinc/29/40/31/1362294031.db2.gz MOIAAGVZISMTPX-PVAVHDDUSA-N 1 2 341.842 3.322 20 30 EGEDLO C=CCC1(C(=O)N[C@H]2CCCN(c3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001096181672 1362418169 /nfs/dbraw/zinc/41/81/69/1362418169.db2.gz FDLUOLDJMXJRTP-KRWDZBQOSA-N 1 2 342.487 3.397 20 30 EGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096231981 1362445338 /nfs/dbraw/zinc/44/53/38/1362445338.db2.gz DAJOLRHUEXKFJC-OXQOHEQNSA-N 1 2 342.487 3.350 20 30 EGEDLO CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001096402957 1362491876 /nfs/dbraw/zinc/49/18/76/1362491876.db2.gz YDQUQHZRKDHHND-SQNIBIBYSA-N 1 2 344.886 3.459 20 30 EGEDLO CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001096402957 1362491879 /nfs/dbraw/zinc/49/18/79/1362491879.db2.gz YDQUQHZRKDHHND-SQNIBIBYSA-N 1 2 344.886 3.459 20 30 EGEDLO C=C(C)CCC(=O)NC[C@H](Nc1nc(C)[nH+]c2c1CCCC2)C1CC1 ZINC001096738833 1362680455 /nfs/dbraw/zinc/68/04/55/1362680455.db2.gz APUGQVMEIJZRIF-SFHVURJKSA-N 1 2 342.487 3.327 20 30 EGEDLO CC(C)C#CC(=O)N1CC[C@H](Nc2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC001096935751 1362783277 /nfs/dbraw/zinc/78/32/77/1362783277.db2.gz QYYAQVXMMNJRCO-INIZCTEOSA-N 1 2 342.487 3.396 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 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1364947020 /nfs/dbraw/zinc/94/70/20/1364947020.db2.gz KZTMFNZJAOTOAA-VXGBXAGGSA-N 1 2 341.908 3.193 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001102229941 1364947025 /nfs/dbraw/zinc/94/70/25/1364947025.db2.gz KZTMFNZJAOTOAA-VXGBXAGGSA-N 1 2 341.908 3.193 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@@H]([NH2+]Cc3ncc(C(C)(C)C)o3)C2)CC1 ZINC001185424687 1387712561 /nfs/dbraw/zinc/71/25/61/1387712561.db2.gz WMSXEJQSXSNLBQ-OAHLLOKOSA-N 1 2 345.487 3.409 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H]2C[N@H+]([C@H](C)c3csnn3)C[C@H]2C)CCC1 ZINC001102331829 1365006175 /nfs/dbraw/zinc/00/61/75/1365006175.db2.gz UHZVJMAKHASMLR-RBSFLKMASA-N 1 2 348.516 3.030 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H]2C[N@@H+]([C@H](C)c3csnn3)C[C@H]2C)CCC1 ZINC001102331829 1365006176 /nfs/dbraw/zinc/00/61/76/1365006176.db2.gz UHZVJMAKHASMLR-RBSFLKMASA-N 1 2 348.516 3.030 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)NCC[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102385737 1365035246 /nfs/dbraw/zinc/03/52/46/1365035246.db2.gz NGDAHHOVTAECJL-XLIONFOSSA-N 1 2 344.503 3.337 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N1CCC(CN(C)c2cc[nH+]c(C)n2)CC1 ZINC001102466234 1365071176 /nfs/dbraw/zinc/07/11/76/1365071176.db2.gz JGAAPHZZUNJZFW-HNNXBMFYSA-N 1 2 330.476 3.062 20 30 EGEDLO C=C(C)CCC(=O)N(C)[C@@H]1CCN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC001102737034 1365196332 /nfs/dbraw/zinc/19/63/32/1365196332.db2.gz XKYATNXVAYNRGW-MRXNPFEDSA-N 1 2 342.487 3.057 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102752622 1365201905 /nfs/dbraw/zinc/20/19/05/1365201905.db2.gz KXHCRJPVEUARFV-GUYCJALGSA-N 1 2 330.476 3.041 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N(C)[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102752623 1365202190 /nfs/dbraw/zinc/20/21/90/1365202190.db2.gz KXHCRJPVEUARFV-SUMWQHHRSA-N 1 2 330.476 3.041 20 30 EGEDLO C=CCCC(=O)N(CC)[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001102782629 1365216221 /nfs/dbraw/zinc/21/62/21/1365216221.db2.gz WDKULHANHGPSSQ-MRXNPFEDSA-N 1 2 330.476 3.302 20 30 EGEDLO Cc1cc(N2CCCC[C@@H](NC(=O)C#CC(C)C)C2)nc(C(C)C)[nH+]1 ZINC001102865991 1365260216 /nfs/dbraw/zinc/26/02/16/1365260216.db2.gz ZPFORNNKBOIGDR-QGZVFWFLSA-N 1 2 342.487 3.043 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H]1CCCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102875966 1365266468 /nfs/dbraw/zinc/26/64/68/1365266468.db2.gz JFCGHBHQCAKGRR-QGZVFWFLSA-N 1 2 330.476 3.233 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CCCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102880419 1365269675 /nfs/dbraw/zinc/26/96/75/1365269675.db2.gz HZCYGHDTGKESJM-KSSFIOAISA-N 1 2 344.503 3.479 20 30 EGEDLO C=CCOCCCC(=O)NC[C@@H](CC)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001103033139 1365348473 /nfs/dbraw/zinc/34/84/73/1365348473.db2.gz YMDAYLKETSCSSX-MRXNPFEDSA-N 1 2 348.491 3.198 20 30 EGEDLO C=CCCC(=O)NCC[C@H]1CCCN1c1nc(C)[nH+]c2c1CCCC2 ZINC001103735099 1365755265 /nfs/dbraw/zinc/75/52/65/1365755265.db2.gz LLYBJCHPJLWRMH-MRXNPFEDSA-N 1 2 342.487 3.105 20 30 EGEDLO C=CC(C)(C)C(=O)NCC[C@H]1CCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001103768389 1365773676 /nfs/dbraw/zinc/77/36/76/1365773676.db2.gz JBVGYJIRLOAZNA-MRXNPFEDSA-N 1 2 342.487 3.350 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CCC2(CCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001103828485 1365801261 /nfs/dbraw/zinc/80/12/61/1365801261.db2.gz CMCFJHGQMPWEBB-UHFFFAOYSA-N 1 2 342.487 3.206 20 30 EGEDLO C=C(C)C[C@@H](C)C(=O)N1CCC2(CCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001103829881 1365803130 /nfs/dbraw/zinc/80/31/30/1365803130.db2.gz FAGMUWOBIOEXSH-MRXNPFEDSA-N 1 2 342.487 3.206 20 30 EGEDLO C=CCOCCCC(=O)NC[C@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001103905023 1365829530 /nfs/dbraw/zinc/82/95/30/1365829530.db2.gz APYYLHBFTCMIDY-OAHLLOKOSA-N 1 2 348.491 3.055 20 30 EGEDLO CC(C)c1cc(NC[C@H](C)CNC(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001103936039 1365839855 /nfs/dbraw/zinc/83/98/55/1365839855.db2.gz CGBZVCMZVXHMNF-HNNXBMFYSA-N 1 2 342.487 3.301 20 30 EGEDLO C=CCCCC(=O)NC[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104189008 1365943539 /nfs/dbraw/zinc/94/35/39/1365943539.db2.gz VUVIOBBFXZOCDL-AWEZNQCLSA-N 1 2 330.476 3.184 20 30 EGEDLO C=C(C)[C@H](CC(=O)N[C@@H](CNc1cc[nH+]c(C)n1)CC(C)C)OCC ZINC001104967098 1366246455 /nfs/dbraw/zinc/24/64/55/1366246455.db2.gz ZRUPLNONCSAUJQ-SJORKVTESA-N 1 2 348.491 3.099 20 30 EGEDLO C=CCCC1(C(=O)N2CC[C@H](Nc3cc[nH+]c(C)n3)[C@@H](C)C2)CC1 ZINC001105057025 1366298601 /nfs/dbraw/zinc/29/86/01/1366298601.db2.gz JXDSOWNALJWVEL-HOCLYGCPSA-N 1 2 328.460 3.180 20 30 EGEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H]([C@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001105083329 1366316334 /nfs/dbraw/zinc/31/63/34/1366316334.db2.gz FUFPFFCWGKIHOO-GOEBONIOSA-N 1 2 330.476 3.426 20 30 EGEDLO C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)C(F)C(F)(F)F)CCC1 ZINC001105539196 1366518090 /nfs/dbraw/zinc/51/80/90/1366518090.db2.gz BCKRVALVNCVXQI-CHWSQXEVSA-N 1 2 336.373 3.214 20 30 EGEDLO C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H](F)C(F)(F)F)CCC1 ZINC001105539196 1366518093 /nfs/dbraw/zinc/51/80/93/1366518093.db2.gz BCKRVALVNCVXQI-CHWSQXEVSA-N 1 2 336.373 3.214 20 30 EGEDLO C=C(Br)C[N@H+]1CCC[C@](C)(CNC(=O)c2ccoc2)C1 ZINC001324908671 1387816992 /nfs/dbraw/zinc/81/69/92/1387816992.db2.gz ALSAIXMEDUHSQF-OAHLLOKOSA-N 1 2 341.249 3.020 20 30 EGEDLO C=C(Br)C[N@@H+]1CCC[C@](C)(CNC(=O)c2ccoc2)C1 ZINC001324908671 1387816997 /nfs/dbraw/zinc/81/69/97/1387816997.db2.gz ALSAIXMEDUHSQF-OAHLLOKOSA-N 1 2 341.249 3.020 20 30 EGEDLO C=CCCC(=O)N1CC[C@H]2[C@@H](CCN2c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001105618186 1366548994 /nfs/dbraw/zinc/54/89/94/1366548994.db2.gz QWVPYPQMAAPHBP-IRXDYDNUSA-N 1 2 342.487 3.302 20 30 EGEDLO C=CCCCC(=O)N1CC[C@@H]2[C@H](CCN2c2nc(C)[nH+]c(C)c2C)C1 ZINC001105630413 1366552581 /nfs/dbraw/zinc/55/25/81/1366552581.db2.gz MJBCXSFTVLYFBG-QZTJIDSGSA-N 1 2 342.487 3.185 20 30 EGEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@@H](CC)C(C)(C)C)CC2)C1 ZINC001105731949 1366588893 /nfs/dbraw/zinc/58/88/93/1366588893.db2.gz YGSQVNCYBDBMID-MRXNPFEDSA-N 1 2 336.520 3.327 20 30 EGEDLO C=C(C)CCC(=O)N[C@@H](C)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001106457483 1366702048 /nfs/dbraw/zinc/70/20/48/1366702048.db2.gz PZVZKXQPVOHEFL-AWEZNQCLSA-N 1 2 330.476 3.327 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H](C)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001106532150 1366725038 /nfs/dbraw/zinc/72/50/38/1366725038.db2.gz YUIUCUAKFJPKQH-CYBMUJFWSA-N 1 2 330.476 3.183 20 30 EGEDLO C#CCC1(C(=O)N(CC)CCNc2cc(C)[nH+]c(C(C)C)n2)CCC1 ZINC001106864181 1366819338 /nfs/dbraw/zinc/81/93/38/1366819338.db2.gz IVMVCTIFFARTSF-UHFFFAOYSA-N 1 2 342.487 3.362 20 30 EGEDLO C=CCOCC(=O)NC/C=C/CNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001107074451 1366870627 /nfs/dbraw/zinc/87/06/27/1366870627.db2.gz IGSNVQIPPCHBFC-BQYQJAHWSA-N 1 2 346.475 3.010 20 30 EGEDLO C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)C(F)C(F)(F)F)CCC[C@@H]12 ZINC001107414299 1366957120 /nfs/dbraw/zinc/95/71/20/1366957120.db2.gz HTXDXGTWNJGHTM-VNHYZAJKSA-N 1 2 336.373 3.214 20 30 EGEDLO C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)C(F)C(F)(F)F)CCC[C@@H]12 ZINC001107414299 1366957122 /nfs/dbraw/zinc/95/71/22/1366957122.db2.gz HTXDXGTWNJGHTM-VNHYZAJKSA-N 1 2 336.373 3.214 20 30 EGEDLO C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](F)C(F)(F)F)CCC[C@@H]12 ZINC001107414299 1366957125 /nfs/dbraw/zinc/95/71/25/1366957125.db2.gz HTXDXGTWNJGHTM-VNHYZAJKSA-N 1 2 336.373 3.214 20 30 EGEDLO C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](F)C(F)(F)F)CCC[C@@H]12 ZINC001107414299 1366957126 /nfs/dbraw/zinc/95/71/26/1366957126.db2.gz HTXDXGTWNJGHTM-VNHYZAJKSA-N 1 2 336.373 3.214 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC=C(Cl)Cl ZINC001109171029 1366987158 /nfs/dbraw/zinc/98/71/58/1366987158.db2.gz BFGLDAGQBPPMEL-RDBSUJKOSA-N 1 2 329.271 3.221 20 30 EGEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(Cl)Cl ZINC001109171029 1366987161 /nfs/dbraw/zinc/98/71/61/1366987161.db2.gz BFGLDAGQBPPMEL-RDBSUJKOSA-N 1 2 329.271 3.221 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)CCCCCC)[C@@H]2C1 ZINC001190035583 1367157205 /nfs/dbraw/zinc/15/72/05/1367157205.db2.gz MNTQMKPVXCTXLE-LSDHHAIUSA-N 1 2 343.309 3.398 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCCCC)[C@@H]2C1 ZINC001190035583 1367157209 /nfs/dbraw/zinc/15/72/09/1367157209.db2.gz MNTQMKPVXCTXLE-LSDHHAIUSA-N 1 2 343.309 3.398 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2coc3ccc(CC)cc32)C1 ZINC001107947227 1367213834 /nfs/dbraw/zinc/21/38/34/1367213834.db2.gz FTHNHFWUDVDNJO-HXUWFJFHSA-N 1 2 342.439 3.002 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2coc3ccc(CC)cc32)C1 ZINC001107947227 1367213840 /nfs/dbraw/zinc/21/38/40/1367213840.db2.gz FTHNHFWUDVDNJO-HXUWFJFHSA-N 1 2 342.439 3.002 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)sc1C ZINC001109627140 1367244943 /nfs/dbraw/zinc/24/49/43/1367244943.db2.gz BHOFHGITPBPYJJ-RYRKJORJSA-N 1 2 345.512 3.175 20 30 EGEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)sc1C ZINC001109627140 1367244951 /nfs/dbraw/zinc/24/49/51/1367244951.db2.gz BHOFHGITPBPYJJ-RYRKJORJSA-N 1 2 345.512 3.175 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2nc(C3CC3)no2)C1 ZINC001190387372 1367248006 /nfs/dbraw/zinc/24/80/06/1367248006.db2.gz CLDMSSSBWCTBMK-DZGCQCFKSA-N 1 2 346.475 3.143 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2nc(C3CC3)no2)C1 ZINC001190387372 1367248012 /nfs/dbraw/zinc/24/80/12/1367248012.db2.gz CLDMSSSBWCTBMK-DZGCQCFKSA-N 1 2 346.475 3.143 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2CC(C)(C)CC(C)(C)C2)C1 ZINC001108098838 1367281217 /nfs/dbraw/zinc/28/12/17/1367281217.db2.gz AUDBMBUKGGTYPC-NRFANRHFSA-N 1 2 348.531 3.069 20 30 EGEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2CC(C)(C)CC(C)(C)C2)C1 ZINC001108098838 1367281222 /nfs/dbraw/zinc/28/12/22/1367281222.db2.gz AUDBMBUKGGTYPC-NRFANRHFSA-N 1 2 348.531 3.069 20 30 EGEDLO C=CCCCC(=O)NC[C@@]1(C)C[N@H+]([C@H](C)c2ccc(F)cc2)CCO1 ZINC001108173950 1367324242 /nfs/dbraw/zinc/32/42/42/1367324242.db2.gz YWHXUZFUXMJMDS-UZLBHIALSA-N 1 2 348.462 3.450 20 30 EGEDLO C=CCCCC(=O)NC[C@@]1(C)C[N@@H+]([C@H](C)c2ccc(F)cc2)CCO1 ZINC001108173950 1367324243 /nfs/dbraw/zinc/32/42/43/1367324243.db2.gz YWHXUZFUXMJMDS-UZLBHIALSA-N 1 2 348.462 3.450 20 30 EGEDLO CCCCCCCCOCC(=O)N[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001108179377 1367324831 /nfs/dbraw/zinc/32/48/31/1367324831.db2.gz GLXXCBHICJKHAL-OAHLLOKOSA-N 1 2 336.480 3.079 20 30 EGEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(-c3cccs3)o2)C1 ZINC001108372291 1367421455 /nfs/dbraw/zinc/42/14/55/1367421455.db2.gz GZXVDJRGYFKYOE-GOSISDBHSA-N 1 2 346.452 3.015 20 30 EGEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(-c3cccs3)o2)C1 ZINC001108372291 1367421457 /nfs/dbraw/zinc/42/14/57/1367421457.db2.gz GZXVDJRGYFKYOE-GOSISDBHSA-N 1 2 346.452 3.015 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)CC(F)(F)F)C2 ZINC001109987654 1367446595 /nfs/dbraw/zinc/44/65/95/1367446595.db2.gz FPQJILVKESROCC-RNJOBUHISA-N 1 2 338.801 3.439 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)CC(F)(F)F)C2 ZINC001109987654 1367446598 /nfs/dbraw/zinc/44/65/98/1367446598.db2.gz FPQJILVKESROCC-RNJOBUHISA-N 1 2 338.801 3.439 20 30 EGEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2c(CC)oc3ccccc32)C1 ZINC001108424398 1367447768 /nfs/dbraw/zinc/44/77/68/1367447768.db2.gz KOXZYJDKOPJMDJ-FQEVSTJZSA-N 1 2 342.439 3.002 20 30 EGEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2c(CC)oc3ccccc32)C1 ZINC001108424398 1367447770 /nfs/dbraw/zinc/44/77/70/1367447770.db2.gz KOXZYJDKOPJMDJ-FQEVSTJZSA-N 1 2 342.439 3.002 20 30 EGEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@](C)(CC)CCCCC)C1 ZINC001108426508 1367450683 /nfs/dbraw/zinc/45/06/83/1367450683.db2.gz NKNRKOINIOWILN-WOJBJXKFSA-N 1 2 336.520 3.213 20 30 EGEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@](C)(CC)CCCCC)C1 ZINC001108426508 1367450686 /nfs/dbraw/zinc/45/06/86/1367450686.db2.gz NKNRKOINIOWILN-WOJBJXKFSA-N 1 2 336.520 3.213 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@@H](CC)C1 ZINC001110032867 1367469470 /nfs/dbraw/zinc/46/94/70/1367469470.db2.gz BAXRKUYWRHVEIP-IRXDYDNUSA-N 1 2 328.460 3.018 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@@H](CC)C1 ZINC001110033836 1367472282 /nfs/dbraw/zinc/47/22/82/1367472282.db2.gz QOVBCTUMMSJRPI-JKSUJKDBSA-N 1 2 330.476 3.426 20 30 EGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CCOC)CCCC1)C2 ZINC001110175251 1367545791 /nfs/dbraw/zinc/54/57/91/1367545791.db2.gz UIWSCOURTXMILF-PMPSAXMXSA-N 1 2 340.895 3.057 20 30 EGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CCOC)CCCC1)C2 ZINC001110175251 1367545792 /nfs/dbraw/zinc/54/57/92/1367545792.db2.gz UIWSCOURTXMILF-PMPSAXMXSA-N 1 2 340.895 3.057 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]([N@H+](C)CC(=C)Br)C1 ZINC001191727129 1367571676 /nfs/dbraw/zinc/57/16/76/1367571676.db2.gz GNYRPBDUQRTHBU-HNNXBMFYSA-N 1 2 341.293 3.011 20 30 EGEDLO C#CCCCCCC(=O)N1CC[C@H]([N@@H+](C)CC(=C)Br)C1 ZINC001191727129 1367571679 /nfs/dbraw/zinc/57/16/79/1367571679.db2.gz GNYRPBDUQRTHBU-HNNXBMFYSA-N 1 2 341.293 3.011 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC1(Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001110303208 1367624042 /nfs/dbraw/zinc/62/40/42/1367624042.db2.gz GDAHXMWWMQEMTH-GXTWGEPZSA-N 1 2 328.460 3.181 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC001191889247 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MCYKILRHXFEPJY-NXHRZFHOSA-N 1 2 343.446 3.355 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C2CC2)no1 ZINC001111070883 1368151713 /nfs/dbraw/zinc/15/17/13/1368151713.db2.gz ODRWMLRNNROFLK-OLMNPRSZSA-N 1 2 343.471 3.376 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C2CC2)no1 ZINC001111070883 1368151717 /nfs/dbraw/zinc/15/17/17/1368151717.db2.gz ODRWMLRNNROFLK-OLMNPRSZSA-N 1 2 343.471 3.376 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1ncc(C)o1 ZINC001111072833 1368152292 /nfs/dbraw/zinc/15/22/92/1368152292.db2.gz VQKQPLJLMUXOKE-JJXSEGSLSA-N 1 2 331.460 3.368 20 30 EGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1ncc(C)o1 ZINC001111072833 1368152293 /nfs/dbraw/zinc/15/22/93/1368152293.db2.gz VQKQPLJLMUXOKE-JJXSEGSLSA-N 1 2 331.460 3.368 20 30 EGEDLO CC(C)[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001111086845 1368156818 /nfs/dbraw/zinc/15/68/18/1368156818.db2.gz 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C=C/C(C)=C\CC(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001196825778 1368692069 /nfs/dbraw/zinc/69/20/69/1368692069.db2.gz WCMJMQQRVZNDKS-BNCCVWRVSA-N 1 2 341.430 3.254 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2nc(C)sc2C)CC1 ZINC001196853131 1368698837 /nfs/dbraw/zinc/69/88/37/1368698837.db2.gz HLTXZRDCSVEITB-KGLIPLIRSA-N 1 2 335.517 3.252 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2nc(C)sc2C)CC1 ZINC001196853131 1368698840 /nfs/dbraw/zinc/69/88/40/1368698840.db2.gz HLTXZRDCSVEITB-KGLIPLIRSA-N 1 2 335.517 3.252 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2ccnc(Cl)c2)CC1 ZINC001196854397 1368700309 /nfs/dbraw/zinc/70/03/09/1368700309.db2.gz RCFUUPIIBAYJQY-CABCVRRESA-N 1 2 335.879 3.228 20 30 EGEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccnc(Cl)c2)CC1 ZINC001196854397 1368700314 /nfs/dbraw/zinc/70/03/14/1368700314.db2.gz RCFUUPIIBAYJQY-CABCVRRESA-N 1 2 335.879 3.228 20 30 EGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCCC3CC3)CC2)cc1F ZINC001196862578 1368703010 /nfs/dbraw/zinc/70/30/10/1368703010.db2.gz QGMLSMMHMMGEQC-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCCC3CC3)CC2)cc1F ZINC001196862578 1368703011 /nfs/dbraw/zinc/70/30/11/1368703011.db2.gz QGMLSMMHMMGEQC-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[N@H+](Cc2nc3ccccc3o2)CC1 ZINC001196900177 1368709884 /nfs/dbraw/zinc/70/98/84/1368709884.db2.gz AUSZRVIGEWZNOH-MRXNPFEDSA-N 1 2 341.455 3.464 20 30 EGEDLO C=C[C@H](CC)CC(=O)N1CCC[N@@H+](Cc2nc3ccccc3o2)CC1 ZINC001196900177 1368709890 /nfs/dbraw/zinc/70/98/90/1368709890.db2.gz AUSZRVIGEWZNOH-MRXNPFEDSA-N 1 2 341.455 3.464 20 30 EGEDLO C=CCCCC(=O)N1CCC[N@@H+](Cc2cc(F)ccc2OC)CC1 ZINC001197000536 1368728510 /nfs/dbraw/zinc/72/85/10/1368728510.db2.gz SYBBSXNWCCKAEF-UHFFFAOYSA-N 1 2 334.435 3.225 20 30 EGEDLO C=CCCCC(=O)N1CCC[N@H+](Cc2cc(F)ccc2OC)CC1 ZINC001197000536 1368728515 /nfs/dbraw/zinc/72/85/15/1368728515.db2.gz SYBBSXNWCCKAEF-UHFFFAOYSA-N 1 2 334.435 3.225 20 30 EGEDLO Cc1cc(N[C@H]2CN(C(=O)C#CC(C)(C)C)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC001112313280 1368760180 /nfs/dbraw/zinc/76/01/80/1368760180.db2.gz VBHVFUNKHIKVOG-HOCLYGCPSA-N 1 2 342.487 3.217 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001112381211 1368808718 /nfs/dbraw/zinc/80/87/18/1368808718.db2.gz ITZFVZITYDLYQW-QGZVFWFLSA-N 1 2 342.487 3.090 20 30 EGEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001112384802 1368814143 /nfs/dbraw/zinc/81/41/43/1368814143.db2.gz WVDJKQPMCKIKNL-HNNXBMFYSA-N 1 2 330.476 3.108 20 30 EGEDLO CC[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001197586831 1368845980 /nfs/dbraw/zinc/84/59/80/1368845980.db2.gz MYIVOPUHQCJPHW-IRXDYDNUSA-N 1 2 327.472 3.275 20 30 EGEDLO CC[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001197586831 1368845984 /nfs/dbraw/zinc/84/59/84/1368845984.db2.gz MYIVOPUHQCJPHW-IRXDYDNUSA-N 1 2 327.472 3.275 20 30 EGEDLO CC1(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)c(F)c3)CC2)CC1 ZINC001197669954 1368869322 /nfs/dbraw/zinc/86/93/22/1368869322.db2.gz WAUBBILLDCREOT-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO CC1(CCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)CC2)CC1 ZINC001197669954 1368869325 /nfs/dbraw/zinc/86/93/25/1368869325.db2.gz WAUBBILLDCREOT-UHFFFAOYSA-N 1 2 343.446 3.312 20 30 EGEDLO C=CCOCCCC(=O)N1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC001112744565 1368988280 /nfs/dbraw/zinc/98/82/80/1368988280.db2.gz SPNDIPBLCQJIQW-INIZCTEOSA-N 1 2 334.435 3.014 20 30 EGEDLO C=C(C)CCC(=O)N1CCC[C@@H]1CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001112800028 1369012707 /nfs/dbraw/zinc/01/27/07/1369012707.db2.gz FMPAMVGNDOFHLB-QGZVFWFLSA-N 1 2 342.487 3.446 20 30 EGEDLO C=CCO[C@H](C)C(=O)N1CCC[N@H+](Cc2sccc2Cl)CC1 ZINC001198344344 1369013564 /nfs/dbraw/zinc/01/35/64/1369013564.db2.gz TZVCBOZUJBBJQB-CYBMUJFWSA-N 1 2 342.892 3.027 20 30 EGEDLO C=CCO[C@H](C)C(=O)N1CCC[N@@H+](Cc2sccc2Cl)CC1 ZINC001198344344 1369013568 /nfs/dbraw/zinc/01/35/68/1369013568.db2.gz TZVCBOZUJBBJQB-CYBMUJFWSA-N 1 2 342.892 3.027 20 30 EGEDLO CC(C)(C)C#CC(=O)N1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC001112837562 1369036597 /nfs/dbraw/zinc/03/65/97/1369036597.db2.gz MOBHVPRHPBAICM-SFHVURJKSA-N 1 2 328.431 3.007 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)c1ccoc1)c1ccccc1OC ZINC001198529433 1369053470 /nfs/dbraw/zinc/05/34/70/1369053470.db2.gz DFBPIUZTLGJDLR-OAHLLOKOSA-N 1 2 334.803 3.101 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)c1ccoc1)c1ccccc1OC ZINC001198529432 1369053568 /nfs/dbraw/zinc/05/35/68/1369053568.db2.gz DFBPIUZTLGJDLR-HNNXBMFYSA-N 1 2 334.803 3.101 20 30 EGEDLO C=CCC(CC=C)C(=O)N1CC[NH+](CCO[C@H]2CCCC[C@H]2C)CC1 ZINC001112880780 1369065304 /nfs/dbraw/zinc/06/53/04/1369065304.db2.gz OQEJZGYCZLTGEG-QUCCMNQESA-N 1 2 348.531 3.494 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)c1coc(C)c1)c1ccccc1OC ZINC001198687051 1369092035 /nfs/dbraw/zinc/09/20/35/1369092035.db2.gz VWCKYMUKYRDHSR-MRXNPFEDSA-N 1 2 348.830 3.410 20 30 EGEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)CC1(C)CC1)c1ccccc1OC ZINC001198806049 1369119305 /nfs/dbraw/zinc/11/93/05/1369119305.db2.gz QALUHOAENNTQNZ-HNNXBMFYSA-N 1 2 336.863 3.385 20 30 EGEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)C1(CC)CC1)c1ccccc1OC ZINC001198885071 1369139536 /nfs/dbraw/zinc/13/95/36/1369139536.db2.gz AGMZGXBEBBFALK-OAHLLOKOSA-N 1 2 336.863 3.385 20 30 EGEDLO CC#CCCCC(=O)N1CC[NH+](Cc2ccccc2OC(C)C)CC1 ZINC001113226209 1369275532 /nfs/dbraw/zinc/27/55/32/1369275532.db2.gz RDJNLBBWGZBBHD-UHFFFAOYSA-N 1 2 342.483 3.312 20 30 EGEDLO CCCCCCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H](C)Cc3c[nH]nc32)CC1 ZINC001113257082 1369296217 /nfs/dbraw/zinc/29/62/17/1369296217.db2.gz OZORZWDCJHEDMA-FUHWJXTLSA-N 1 2 346.519 3.190 20 30 EGEDLO CCCCCCCCCNC(=S)N(CC)CC[NH+]1CCOCC1 ZINC001200376259 1369356819 /nfs/dbraw/zinc/35/68/19/1369356819.db2.gz XDRYAQQIVUNPLF-UHFFFAOYSA-N 1 2 343.581 3.266 20 30 EGEDLO C=CC1(CC(=O)N2CC[NH+](CCOCC3CCC3)CC2)CCCCC1 ZINC001113429191 1369421335 /nfs/dbraw/zinc/42/13/35/1369421335.db2.gz ODZFWWCOADDKKD-UHFFFAOYSA-N 1 2 348.531 3.474 20 30 EGEDLO C#CCCCCC(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001113561224 1369494681 /nfs/dbraw/zinc/49/46/81/1369494681.db2.gz VXOOVPRYCZCGNE-MRXNPFEDSA-N 1 2 330.476 3.043 20 30 EGEDLO CCOC(=O)[C@H]1CCCc2sc(Nc3ccc(N)[nH+]c3)c(C#N)c21 ZINC001201276596 1369508902 /nfs/dbraw/zinc/50/89/02/1369508902.db2.gz XESVWZQUCILBFZ-NSHDSACASA-N 1 2 342.424 3.324 20 30 EGEDLO C=C[C@H](CC(=O)NC[C@H](C)N(C)c1cc[nH+]c(C)n1)c1ccccc1 ZINC001113624414 1369525721 /nfs/dbraw/zinc/52/57/21/1369525721.db2.gz RTTAZGVPGQGJPK-DOTOQJQBSA-N 1 2 338.455 3.086 20 30 EGEDLO C=CCCOCC(=O)N1CC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC001113709459 1369579924 /nfs/dbraw/zinc/57/99/24/1369579924.db2.gz RQCSIIULHCHKFO-SFHVURJKSA-N 1 2 348.874 3.064 20 30 EGEDLO C=CCC(CC=C)C(=O)NC[C@H](C)N(C)c1nc(C)[nH+]c(C)c1C ZINC001113726939 1369589250 /nfs/dbraw/zinc/58/92/50/1369589250.db2.gz WKURQJLYGRJOPD-ZDUSSCGKSA-N 1 2 330.476 3.111 20 30 EGEDLO Cc1nc(NCC2(NC(=O)C#CC(C)(C)C)CCCCC2)cc[nH+]1 ZINC001114160994 1369769712 /nfs/dbraw/zinc/76/97/12/1369769712.db2.gz VBOILWMHQHTLMP-UHFFFAOYSA-N 1 2 328.460 3.066 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001114328198 1369888790 /nfs/dbraw/zinc/88/87/90/1369888790.db2.gz KDKUUNDFKYTXHE-UOIKSKOESA-N 1 2 345.487 3.121 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001114328198 1369888794 /nfs/dbraw/zinc/88/87/94/1369888794.db2.gz KDKUUNDFKYTXHE-UOIKSKOESA-N 1 2 345.487 3.121 20 30 EGEDLO C=CCCC(=O)N1C[C@H](CNc2nc(C)[nH+]c3c2CCCC3)C[C@H]1C ZINC001114674872 1370019372 /nfs/dbraw/zinc/01/93/72/1370019372.db2.gz PIGUVYWJXDOEHP-ZBFHGGJFSA-N 1 2 342.487 3.279 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccn(C(CC)CC)n3)C[C@H]21 ZINC001114755985 1370064321 /nfs/dbraw/zinc/06/43/21/1370064321.db2.gz SINLFQLEGWCJPT-RUYXUALKSA-N 1 2 344.503 3.147 20 30 EGEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccn(C(CC)CC)n3)C[C@H]21 ZINC001114755985 1370064325 /nfs/dbraw/zinc/06/43/25/1370064325.db2.gz SINLFQLEGWCJPT-RUYXUALKSA-N 1 2 344.503 3.147 20 30 EGEDLO C=CCCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2noc(C(C)C)n2)C12CCC2 ZINC001203340465 1370089724 /nfs/dbraw/zinc/08/97/24/1370089724.db2.gz LPHIRUPBQQWNMV-CABCVRRESA-N 1 2 346.475 3.066 20 30 EGEDLO Cc1nc(C[N@@H+]2CCC3(CN(Cc4cccc(C#N)c4)C3)C2)cs1 ZINC001203762096 1370254341 /nfs/dbraw/zinc/25/43/41/1370254341.db2.gz KODDXZACLGUOME-UHFFFAOYSA-N 1 2 338.480 3.031 20 30 EGEDLO Cc1nc(C[N@H+]2CCC3(CN(Cc4cccc(C#N)c4)C3)C2)cs1 ZINC001203762096 1370254344 /nfs/dbraw/zinc/25/43/44/1370254344.db2.gz KODDXZACLGUOME-UHFFFAOYSA-N 1 2 338.480 3.031 20 30 EGEDLO N#Cc1cccc(C[NH+]2CCN(Cc3c(F)cccc3F)CC2)c1 ZINC001203764467 1370255679 /nfs/dbraw/zinc/25/56/79/1370255679.db2.gz PONCJCUEHUBGKG-UHFFFAOYSA-N 1 2 327.378 3.154 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[N@@H+]2Cc1ccc(C#N)cc1 ZINC001203900258 1370305878 /nfs/dbraw/zinc/30/58/78/1370305878.db2.gz WHUQWOMVZNZDTN-DLBZAZTESA-N 1 2 327.428 3.142 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[N@H+]2Cc1ccc(C#N)cc1 ZINC001203900258 1370305881 /nfs/dbraw/zinc/30/58/81/1370305881.db2.gz WHUQWOMVZNZDTN-DLBZAZTESA-N 1 2 327.428 3.142 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001204286792 1370432358 /nfs/dbraw/zinc/43/23/58/1370432358.db2.gz NXZJZLVJKQYVIC-CYBMUJFWSA-N 1 2 326.799 3.356 20 30 EGEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001204286792 1370432360 /nfs/dbraw/zinc/43/23/60/1370432360.db2.gz NXZJZLVJKQYVIC-CYBMUJFWSA-N 1 2 326.799 3.356 20 30 EGEDLO CCC[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187376866 1388101063 /nfs/dbraw/zinc/10/10/63/1388101063.db2.gz GORSZZHRXIJDGO-SIXWZSSISA-N 1 2 343.446 3.166 20 30 EGEDLO CCC[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001187376866 1388101067 /nfs/dbraw/zinc/10/10/67/1388101067.db2.gz GORSZZHRXIJDGO-SIXWZSSISA-N 1 2 343.446 3.166 20 30 EGEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2cc(Cl)ccc2Cl)C[C@H]1C ZINC001206659093 1371124775 /nfs/dbraw/zinc/12/47/75/1371124775.db2.gz CRYLRKJAGHBMGK-UEKVPHQBSA-N 1 2 340.254 3.090 20 30 EGEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2Cl)C[C@H]1C ZINC001206659093 1371124779 /nfs/dbraw/zinc/12/47/79/1371124779.db2.gz CRYLRKJAGHBMGK-UEKVPHQBSA-N 1 2 340.254 3.090 20 30 EGEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2csc(C)n2)CC1 ZINC001206802617 1371172757 /nfs/dbraw/zinc/17/27/57/1371172757.db2.gz ISWUGEQPEGLONP-UHFFFAOYSA-N 1 2 343.452 3.375 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)C[C@H]1C ZINC001206947044 1371240155 /nfs/dbraw/zinc/24/01/55/1371240155.db2.gz CEQWTQSGYDSPND-OWCLPIDISA-N 1 2 345.487 3.129 20 30 EGEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)C[C@H]1C ZINC001206947044 1371240158 /nfs/dbraw/zinc/24/01/58/1371240158.db2.gz CEQWTQSGYDSPND-OWCLPIDISA-N 1 2 345.487 3.129 20 30 EGEDLO N#Cc1ccc(O[C@H]2CCC[N@H+](Cc3ncc4ccccn43)C2)cc1 ZINC001207055992 1371280426 /nfs/dbraw/zinc/28/04/26/1371280426.db2.gz MQXNXWBYNMCFRN-IBGZPJMESA-N 1 2 332.407 3.249 20 30 EGEDLO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3ncc4ccccn43)C2)cc1 ZINC001207055992 1371280430 /nfs/dbraw/zinc/28/04/30/1371280430.db2.gz MQXNXWBYNMCFRN-IBGZPJMESA-N 1 2 332.407 3.249 20 30 EGEDLO C[C@H](CC#N)[NH2+]CC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC001119312995 1371306580 /nfs/dbraw/zinc/30/65/80/1371306580.db2.gz PEHVDOORSODDCE-SNVBAGLBSA-N 1 2 333.741 3.127 20 30 EGEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cncc(C#N)c1 ZINC001119824412 1371410244 /nfs/dbraw/zinc/41/02/44/1371410244.db2.gz XRZNYWHSOZNLBQ-BZSNNMDCSA-N 1 2 341.455 3.428 20 30 EGEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cncc(C#N)c1 ZINC001119824412 1371410247 /nfs/dbraw/zinc/41/02/47/1371410247.db2.gz XRZNYWHSOZNLBQ-BZSNNMDCSA-N 1 2 341.455 3.428 20 30 EGEDLO C=CCCCC(=O)N(C)C[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001120540807 1371604224 /nfs/dbraw/zinc/60/42/24/1371604224.db2.gz HKBYLHBUIJGVQM-AWEZNQCLSA-N 1 2 330.476 3.279 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001208312395 1371710795 /nfs/dbraw/zinc/71/07/95/1371710795.db2.gz KEENWRRHRABKGN-NVXWUHKLSA-N 1 2 343.471 3.072 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001208312395 1371710801 /nfs/dbraw/zinc/71/08/01/1371710801.db2.gz KEENWRRHRABKGN-NVXWUHKLSA-N 1 2 343.471 3.072 20 30 EGEDLO C#CCCCCC(=O)NC1CC2(C1)CC([NH2+]CC(F)(F)C(F)F)C2 ZINC001120975149 1371826314 /nfs/dbraw/zinc/82/63/14/1371826314.db2.gz JZUOZSPBNIVKBS-UHFFFAOYSA-N 1 2 348.384 3.097 20 30 EGEDLO CC#CCCCC(=O)NC1CC2(C1)CC([NH2+]CC(F)(F)C(F)F)C2 ZINC001121588393 1372018135 /nfs/dbraw/zinc/01/81/35/1372018135.db2.gz PXWWPABVKGNOTH-UHFFFAOYSA-N 1 2 348.384 3.097 20 30 EGEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001122400948 1372241702 /nfs/dbraw/zinc/24/17/02/1372241702.db2.gz WWVDXQKLKOQUCY-HNNXBMFYSA-N 1 2 342.491 3.051 20 30 EGEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)CCC1(C)CC1 ZINC001209995531 1372250408 /nfs/dbraw/zinc/25/04/08/1372250408.db2.gz QBWDIYJRCSSEFW-RDTXWAMCSA-N 1 2 343.446 3.214 20 30 EGEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)CCC1(C)CC1 ZINC001209995531 1372250412 /nfs/dbraw/zinc/25/04/12/1372250412.db2.gz QBWDIYJRCSSEFW-RDTXWAMCSA-N 1 2 343.446 3.214 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)Cc1ccccc1 ZINC001122528153 1372267156 /nfs/dbraw/zinc/26/71/56/1372267156.db2.gz NKMYEVDSIOPNNO-QGZVFWFLSA-N 1 2 325.460 3.257 20 30 EGEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N(C)Cc1ccccc1 ZINC001122528153 1372267160 /nfs/dbraw/zinc/26/71/60/1372267160.db2.gz NKMYEVDSIOPNNO-QGZVFWFLSA-N 1 2 325.460 3.257 20 30 EGEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@@H]1CC ZINC001122544676 1372271252 /nfs/dbraw/zinc/27/12/52/1372271252.db2.gz ZHPDRMCAOMPNQY-IRXDYDNUSA-N 1 2 347.507 3.015 20 30 EGEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@@H]1CC ZINC001122544676 1372271256 /nfs/dbraw/zinc/27/12/56/1372271256.db2.gz ZHPDRMCAOMPNQY-IRXDYDNUSA-N 1 2 347.507 3.015 20 30 EGEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)CC(C)(C)C ZINC001122628623 1372287063 /nfs/dbraw/zinc/28/70/63/1372287063.db2.gz AIQGAXKJUIEZCO-INIZCTEOSA-N 1 2 349.523 3.118 20 30 EGEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)CC(C)(C)C ZINC001122628623 1372287065 /nfs/dbraw/zinc/28/70/65/1372287065.db2.gz AIQGAXKJUIEZCO-INIZCTEOSA-N 1 2 349.523 3.118 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)CC(C)C)C1 ZINC001210219241 1372297058 /nfs/dbraw/zinc/29/70/58/1372297058.db2.gz MWPQTAVKMUHBHV-GZBFAFLISA-N 1 2 345.325 3.404 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)CC(C)C)C1 ZINC001210219241 1372297070 /nfs/dbraw/zinc/29/70/70/1372297070.db2.gz MWPQTAVKMUHBHV-GZBFAFLISA-N 1 2 345.325 3.404 20 30 EGEDLO N#Cc1cc(Nc2ccc3[nH+]cc(Br)n3c2)ccc1O ZINC001210526348 1372371768 /nfs/dbraw/zinc/37/17/68/1372371768.db2.gz CIRVBXMVSLNFGP-UHFFFAOYSA-N 1 2 329.157 3.418 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)[C@@H]1C ZINC001123068525 1372373806 /nfs/dbraw/zinc/37/38/06/1372373806.db2.gz USTVVOAPQNSSII-WMLDXEAASA-N 1 2 342.487 3.421 20 30 EGEDLO N#Cc1cc(F)ccc1Nc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001210554924 1372377790 /nfs/dbraw/zinc/37/77/90/1372377790.db2.gz ZPWGGUJRCYKXMG-UHFFFAOYSA-N 1 2 341.386 3.152 20 30 EGEDLO CC#CCCCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001123091724 1372378500 /nfs/dbraw/zinc/37/85/00/1372378500.db2.gz ZDKXHXTVNBRWOT-DOTOQJQBSA-N 1 2 340.471 3.257 20 30 EGEDLO C#Cc1cc(Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc[nH+]1 ZINC001210686207 1372407517 /nfs/dbraw/zinc/40/75/17/1372407517.db2.gz JXUHDROLRRBHBH-UHFFFAOYSA-N 1 2 335.407 3.479 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C[C@@H]1C ZINC001123291004 1372416265 /nfs/dbraw/zinc/41/62/65/1372416265.db2.gz SCRFGFYZQSTQJZ-GOEBONIOSA-N 1 2 342.487 3.421 20 30 EGEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2CCC[C@H](Nc3cc[nH+]c(C)n3)[C@@H]2C1 ZINC001123499216 1372490635 /nfs/dbraw/zinc/49/06/35/1372490635.db2.gz YIIFOWUBRDZOIQ-BBWFWOEESA-N 1 2 342.487 3.426 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)[C@@H]1C ZINC001123560707 1372506882 /nfs/dbraw/zinc/50/68/82/1372506882.db2.gz AQFPQMWFLOJSGP-SJORKVTESA-N 1 2 342.487 3.185 20 30 EGEDLO C=CCCC(=O)N[C@H]1CCCN(c2nc(C)[nH+]c3c2CCCC3)[C@@H]1C ZINC001123578182 1372514049 /nfs/dbraw/zinc/51/40/49/1372514049.db2.gz USFAFXHNBFLCSG-PBHICJAKSA-N 1 2 342.487 3.104 20 30 EGEDLO C=CCOc1ccc(-c2noc([C@H]3CC[NH2+]CC3(F)F)n2)c(F)c1 ZINC001211580561 1372585051 /nfs/dbraw/zinc/58/50/51/1372585051.db2.gz RQSBNYBWZOFXCL-GFCCVEGCSA-N 1 2 339.317 3.153 20 30 EGEDLO CCCCCCCCS(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001188008362 1388212340 /nfs/dbraw/zinc/21/23/40/1388212340.db2.gz HAOSDJVBFIEVAU-UHFFFAOYSA-N 1 2 327.494 3.210 20 30 EGEDLO C=C(C)[C@@H](CC(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C(C)(C)C)OCC ZINC001126002513 1372908003 /nfs/dbraw/zinc/90/80/03/1372908003.db2.gz FMBOSKNLRKPZNS-CVEARBPZSA-N 1 2 348.491 3.099 20 30 EGEDLO N#Cc1cc(Nc2ccc(OCC[NH+]3CCOCC3)cc2F)cs1 ZINC001213483544 1372912191 /nfs/dbraw/zinc/91/21/91/1372912191.db2.gz SRSXBGYALAKJDF-UHFFFAOYSA-N 1 2 347.415 3.213 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@H](C)CC)c2C1 ZINC001128203568 1373234450 /nfs/dbraw/zinc/23/44/50/1373234450.db2.gz YSFBFLFEBJPCHA-MRXNPFEDSA-N 1 2 332.492 3.107 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@H](C)CC)c2C1 ZINC001128203568 1373234453 /nfs/dbraw/zinc/23/44/53/1373234453.db2.gz YSFBFLFEBJPCHA-MRXNPFEDSA-N 1 2 332.492 3.107 20 30 EGEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)CCCC)c2C1 ZINC001128208005 1373235362 /nfs/dbraw/zinc/23/53/62/1373235362.db2.gz UXSNBOSUFHDMFZ-UHFFFAOYSA-N 1 2 332.492 3.252 20 30 EGEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)CCCC)c2C1 ZINC001128208005 1373235367 /nfs/dbraw/zinc/23/53/67/1373235367.db2.gz UXSNBOSUFHDMFZ-UHFFFAOYSA-N 1 2 332.492 3.252 20 30 EGEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H](F)CC)c2C1 ZINC001128443031 1373268262 /nfs/dbraw/zinc/26/82/62/1373268262.db2.gz KGMLXHKCDBEZAT-INIZCTEOSA-N 1 2 338.471 3.033 20 30 EGEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@@H](F)CC)c2C1 ZINC001128443031 1373268264 /nfs/dbraw/zinc/26/82/64/1373268264.db2.gz KGMLXHKCDBEZAT-INIZCTEOSA-N 1 2 338.471 3.033 20 30 EGEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H](CCC)CC(C)C)c2C1 ZINC001128598708 1373296626 /nfs/dbraw/zinc/29/66/26/1373296626.db2.gz IHBZJLZDRFICLV-QGZVFWFLSA-N 1 2 346.519 3.353 20 30 EGEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H](CCC)CC(C)C)c2C1 ZINC001128598708 1373296628 /nfs/dbraw/zinc/29/66/28/1373296628.db2.gz IHBZJLZDRFICLV-QGZVFWFLSA-N 1 2 346.519 3.353 20 30 EGEDLO CCCCCCCOc1ccc(O[C@H]2C[NH2+][C@H](C(=O)OC)C2)cc1 ZINC001218171936 1373572629 /nfs/dbraw/zinc/57/26/29/1373572629.db2.gz DSMQKKMOBCJPEC-MSOLQXFVSA-N 1 2 335.444 3.318 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)CC(C)(C)C)CC[C@H]1C ZINC001131817748 1373820931 /nfs/dbraw/zinc/82/09/31/1373820931.db2.gz QPRYIZQXNADGAW-CHWSQXEVSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)CC(C)(C)C)CC[C@H]1C ZINC001131817748 1373820935 /nfs/dbraw/zinc/82/09/35/1373820935.db2.gz QPRYIZQXNADGAW-CHWSQXEVSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)C(CC)CC)CC[C@@H]1C ZINC001131833700 1373828858 /nfs/dbraw/zinc/82/88/58/1373828858.db2.gz DLNFTMPAFDZPCB-GXTWGEPZSA-N 1 2 331.298 3.300 20 30 EGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)C(CC)CC)CC[C@@H]1C ZINC001131833700 1373828851 /nfs/dbraw/zinc/82/88/51/1373828851.db2.gz DLNFTMPAFDZPCB-GXTWGEPZSA-N 1 2 331.298 3.300 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001132002670 1375094158 /nfs/dbraw/zinc/09/41/58/1375094158.db2.gz MFQLAVCCCLHGDF-ZBFHGGJFSA-N 1 2 333.863 3.008 20 30 EGEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001132002670 1375094161 /nfs/dbraw/zinc/09/41/61/1375094161.db2.gz MFQLAVCCCLHGDF-ZBFHGGJFSA-N 1 2 333.863 3.008 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1ccc(Cl)nc1 ZINC001132033165 1375107545 /nfs/dbraw/zinc/10/75/45/1375107545.db2.gz BIJWKJHPQFDRRH-ZBFHGGJFSA-N 1 2 347.890 3.254 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1ccc(Cl)nc1 ZINC001132033165 1375107546 /nfs/dbraw/zinc/10/75/46/1375107546.db2.gz BIJWKJHPQFDRRH-ZBFHGGJFSA-N 1 2 347.890 3.254 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1ccnc(Cl)c1 ZINC001132034789 1375110091 /nfs/dbraw/zinc/11/00/91/1375110091.db2.gz VIDRJFSGBPHVNJ-ZBFHGGJFSA-N 1 2 347.890 3.254 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1ccnc(Cl)c1 ZINC001132034789 1375110093 /nfs/dbraw/zinc/11/00/93/1375110093.db2.gz VIDRJFSGBPHVNJ-ZBFHGGJFSA-N 1 2 347.890 3.254 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1ccc(Cl)cc1F ZINC001132047537 1375115429 /nfs/dbraw/zinc/11/54/29/1375115429.db2.gz XXQOYCFXAMUTTM-DYVFJYSZSA-N 1 2 348.849 3.362 20 30 EGEDLO C[C@@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1ccc(Cl)cc1F ZINC001132047537 1375115435 /nfs/dbraw/zinc/11/54/35/1375115435.db2.gz XXQOYCFXAMUTTM-DYVFJYSZSA-N 1 2 348.849 3.362 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccn(CC)n2)C1 ZINC001132056982 1375123363 /nfs/dbraw/zinc/12/33/63/1375123363.db2.gz ICESWAAWJDPCRO-FUHWJXTLSA-N 1 2 344.503 3.141 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccn(CC)n2)C1 ZINC001132056982 1375123366 /nfs/dbraw/zinc/12/33/66/1375123366.db2.gz ICESWAAWJDPCRO-FUHWJXTLSA-N 1 2 344.503 3.141 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccn(CC)n2)C1 ZINC001132056983 1375123511 /nfs/dbraw/zinc/12/35/11/1375123511.db2.gz ICESWAAWJDPCRO-SJLPKXTDSA-N 1 2 344.503 3.141 20 30 EGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccn(CC)n2)C1 ZINC001132056983 1375123513 /nfs/dbraw/zinc/12/35/13/1375123513.db2.gz ICESWAAWJDPCRO-SJLPKXTDSA-N 1 2 344.503 3.141 20 30 EGEDLO C#CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3csc(C)n3)C2)CCC1 ZINC001132102716 1375149608 /nfs/dbraw/zinc/14/96/08/1375149608.db2.gz ZVYJEZSSYSFJOT-GDBMZVCRSA-N 1 2 345.512 3.114 20 30 EGEDLO C#CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3csc(C)n3)C2)CCC1 ZINC001132102716 1375149609 /nfs/dbraw/zinc/14/96/09/1375149609.db2.gz ZVYJEZSSYSFJOT-GDBMZVCRSA-N 1 2 345.512 3.114 20 30 EGEDLO CC(C)(C)CC(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001226076835 1375199395 /nfs/dbraw/zinc/19/93/95/1375199395.db2.gz DOOPABGJPIASTP-UHFFFAOYSA-N 1 2 331.435 3.214 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001132228080 1375223509 /nfs/dbraw/zinc/22/35/09/1375223509.db2.gz LUNCDYIQLKZHCT-GJZGRUSLSA-N 1 2 345.487 3.235 20 30 EGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001132228080 1375223514 /nfs/dbraw/zinc/22/35/14/1375223514.db2.gz LUNCDYIQLKZHCT-GJZGRUSLSA-N 1 2 345.487 3.235 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2nocc2C)C1 ZINC001132242131 1375238451 /nfs/dbraw/zinc/23/84/51/1375238451.db2.gz ZZKUXNJDWXRWBM-IAGOWNOFSA-N 1 2 331.460 3.036 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2nocc2C)C1 ZINC001132242131 1375238459 /nfs/dbraw/zinc/23/84/59/1375238459.db2.gz ZZKUXNJDWXRWBM-IAGOWNOFSA-N 1 2 331.460 3.036 20 30 EGEDLO C#C[C@@H]1CCC[C@H]1Oc1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001226564424 1375283778 /nfs/dbraw/zinc/28/37/78/1375283778.db2.gz CTENRPWSQFUWLE-YLJYHZDGSA-N 1 2 333.435 3.216 20 30 EGEDLO C#C[C@@H]1CCC[C@H]1Oc1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001226564424 1375283783 /nfs/dbraw/zinc/28/37/83/1375283783.db2.gz CTENRPWSQFUWLE-YLJYHZDGSA-N 1 2 333.435 3.216 20 30 EGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCc2ccccc2F)CC[C@@H]1C ZINC001132481964 1375418210 /nfs/dbraw/zinc/41/82/10/1375418210.db2.gz OYKGKDGAEIBVPG-GOEBONIOSA-N 1 2 338.854 3.480 20 30 EGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCc2ccccc2F)CC[C@@H]1C ZINC001132481964 1375418212 /nfs/dbraw/zinc/41/82/12/1375418212.db2.gz OYKGKDGAEIBVPG-GOEBONIOSA-N 1 2 338.854 3.480 20 30 EGEDLO C#CCCCCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1noc(C)n1 ZINC001227972721 1375495838 /nfs/dbraw/zinc/49/58/38/1375495838.db2.gz FGWYRFLNXCIINM-DJIMGWMZSA-N 1 2 346.475 3.040 20 30 EGEDLO C=CC[NH+]1CCN(C(=O)c2cccc(-c3csc(C)n3)c2)CC1 ZINC001188831195 1388386148 /nfs/dbraw/zinc/38/61/48/1388386148.db2.gz AYSVGFWOORQITR-UHFFFAOYSA-N 1 2 327.453 3.062 20 30 EGEDLO C=C(C)C[C@H](C)C(=O)NC1CC[NH+]([C@H](C)c2nnc(C)s2)CC1 ZINC001228801341 1375681375 /nfs/dbraw/zinc/68/13/75/1375681375.db2.gz MQRYDHAELIGQRF-QWHCGFSZSA-N 1 2 336.505 3.090 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC001228810166 1375684912 /nfs/dbraw/zinc/68/49/12/1375684912.db2.gz RJWATXIMYQOZBQ-AWEZNQCLSA-N 1 2 331.460 3.235 20 30 EGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2ncc(Cl)cc2F)C1 ZINC001228835762 1375690300 /nfs/dbraw/zinc/69/03/00/1375690300.db2.gz WHORQXOBPHJYQF-OAHLLOKOSA-N 1 2 331.778 3.399 20 30 EGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2ncc(Cl)cc2F)C1 ZINC001228835762 1375690312 /nfs/dbraw/zinc/69/03/12/1375690312.db2.gz WHORQXOBPHJYQF-OAHLLOKOSA-N 1 2 331.778 3.399 20 30 EGEDLO N#Cc1cc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)ccc1F ZINC001133032901 1375726639 /nfs/dbraw/zinc/72/66/39/1375726639.db2.gz LPUAYEWMWZFOBQ-SFHVURJKSA-N 1 2 334.354 3.065 20 30 EGEDLO C=CCC1(C(=O)NC2CC[NH+]([C@@H](C)c3nnc(CC)o3)CC2)CCC1 ZINC001229025125 1375743226 /nfs/dbraw/zinc/74/32/26/1375743226.db2.gz SPGDMOGPYIZJSK-AWEZNQCLSA-N 1 2 346.475 3.020 20 30 EGEDLO N#Cc1ccnnc1O[C@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001229607565 1375864300 /nfs/dbraw/zinc/86/43/00/1375864300.db2.gz OBIVJZCQOADJJR-ZDUSSCGKSA-N 1 2 349.221 3.308 20 30 EGEDLO N#Cc1ccnnc1O[C@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001229607565 1375864317 /nfs/dbraw/zinc/86/43/17/1375864317.db2.gz OBIVJZCQOADJJR-ZDUSSCGKSA-N 1 2 349.221 3.308 20 30 EGEDLO Cc1nc(OC2CC(C#N)C2)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229768832 1375889436 /nfs/dbraw/zinc/88/94/36/1375889436.db2.gz OJVWKOJMAKUVAL-UHFFFAOYSA-N 1 2 329.363 3.257 20 30 EGEDLO CC[C@@H](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001229776921 1375892862 /nfs/dbraw/zinc/89/28/62/1375892862.db2.gz YKSPFLKLVISQPX-HUUCEWRRSA-N 1 2 345.462 3.460 20 30 EGEDLO C=CCC1(C(=O)NC2CC[NH+](Cc3ncccn3)CC2)CCCCC1 ZINC001230331966 1375999118 /nfs/dbraw/zinc/99/91/18/1375999118.db2.gz LVNCZUAWPRIIDM-UHFFFAOYSA-N 1 2 342.487 3.084 20 30 EGEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(=O)CC1CCCC1 ZINC001230655435 1376117469 /nfs/dbraw/zinc/11/74/69/1376117469.db2.gz ZUCPGZCXAJKBEQ-HXUWFJFHSA-N 1 2 342.458 3.290 20 30 EGEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(=O)CC1CCCC1 ZINC001230655435 1376117478 /nfs/dbraw/zinc/11/74/78/1376117478.db2.gz ZUCPGZCXAJKBEQ-HXUWFJFHSA-N 1 2 342.458 3.290 20 30 EGEDLO C=C(Cl)C[N@@H+](CCCNC(=O)C(F)=C(C)C)Cc1cccnc1 ZINC001230731664 1376137165 /nfs/dbraw/zinc/13/71/65/1376137165.db2.gz GSAFGYPIPSDQOB-UHFFFAOYSA-N 1 2 339.842 3.406 20 30 EGEDLO C=C(Cl)C[N@H+](CCCNC(=O)C(F)=C(C)C)Cc1cccnc1 ZINC001230731664 1376137166 /nfs/dbraw/zinc/13/71/66/1376137166.db2.gz GSAFGYPIPSDQOB-UHFFFAOYSA-N 1 2 339.842 3.406 20 30 EGEDLO CCC[C@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001231313112 1376227391 /nfs/dbraw/zinc/22/73/91/1376227391.db2.gz VPXODQCITOLWGC-MAUKXSAKSA-N 1 2 343.471 3.036 20 30 EGEDLO CCC[C@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001231313112 1376227394 /nfs/dbraw/zinc/22/73/94/1376227394.db2.gz VPXODQCITOLWGC-MAUKXSAKSA-N 1 2 343.471 3.036 20 30 EGEDLO C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1)C1CC1 ZINC001231412458 1376236622 /nfs/dbraw/zinc/23/66/22/1376236622.db2.gz CKZYOWBMMSCPAK-HNAYVOBHSA-N 1 2 344.886 3.270 20 30 EGEDLO C[C@H](C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1)C1CC1 ZINC001231412458 1376236627 /nfs/dbraw/zinc/23/66/27/1376236627.db2.gz CKZYOWBMMSCPAK-HNAYVOBHSA-N 1 2 344.886 3.270 20 30 EGEDLO C=CCOc1cccc(C[N@H+]2CCC23CN(C(=O)OC(C)(C)C)C3)c1 ZINC001231620908 1376283336 /nfs/dbraw/zinc/28/33/36/1376283336.db2.gz GZUNDJSNWWPTCC-UHFFFAOYSA-N 1 2 344.455 3.447 20 30 EGEDLO C=CCOc1cccc(C[N@@H+]2CCC23CN(C(=O)OC(C)(C)C)C3)c1 ZINC001231620908 1376283344 /nfs/dbraw/zinc/28/33/44/1376283344.db2.gz GZUNDJSNWWPTCC-UHFFFAOYSA-N 1 2 344.455 3.447 20 30 EGEDLO Cc1cc[nH+]c(N2CCN(Cc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC001232115287 1376402497 /nfs/dbraw/zinc/40/24/97/1376402497.db2.gz JLSNEGPSVCWFQS-UHFFFAOYSA-N 1 2 326.831 3.237 20 30 EGEDLO COc1cc(/C=N/O)ccc1O[C@@H]1CCCN(c2ccc(C)c[nH+]2)C1 ZINC001233804393 1376721623 /nfs/dbraw/zinc/72/16/23/1376721623.db2.gz YZIGXYKKSUENCF-SVZNOHIVSA-N 1 2 341.411 3.255 20 30 EGEDLO C=CCCOCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1C/C=C\Cl ZINC001234275048 1376798365 /nfs/dbraw/zinc/79/83/65/1376798365.db2.gz ASRRIPGOCPNLJH-BJIFSAINSA-N 1 2 328.884 3.035 20 30 EGEDLO C=CCCOCCCCC(=O)N(C)C[C@@H]1CC[N@H+]1C/C=C\Cl ZINC001234275048 1376798366 /nfs/dbraw/zinc/79/83/66/1376798366.db2.gz ASRRIPGOCPNLJH-BJIFSAINSA-N 1 2 328.884 3.035 20 30 EGEDLO C#CCCCCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(F)(F)C(F)F ZINC001135194391 1376965958 /nfs/dbraw/zinc/96/59/58/1376965958.db2.gz UWSLXNNCXJYLGR-CHWSQXEVSA-N 1 2 338.389 3.343 20 30 EGEDLO COc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2F)cc1C#N ZINC001244710616 1377039672 /nfs/dbraw/zinc/03/96/72/1377039672.db2.gz OEEAQAHZRWKRNO-UHFFFAOYSA-N 1 2 326.371 3.205 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC1CCC1 ZINC001266840088 1377389299 /nfs/dbraw/zinc/38/92/99/1377389299.db2.gz OLXXLLVVYHQNJM-CQSZACIVSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)CC1CCC1 ZINC001266840088 1377389305 /nfs/dbraw/zinc/38/93/05/1377389305.db2.gz OLXXLLVVYHQNJM-CQSZACIVSA-N 1 2 329.282 3.056 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1[nH]nc3ccccc31)CCO2 ZINC001137348796 1377527542 /nfs/dbraw/zinc/52/75/42/1377527542.db2.gz PISGTLJEPUVXJU-OXQOHEQNSA-N 1 2 341.455 3.137 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1[nH]nc3ccccc31)CCO2 ZINC001137348796 1377527549 /nfs/dbraw/zinc/52/75/49/1377527549.db2.gz PISGTLJEPUVXJU-OXQOHEQNSA-N 1 2 341.455 3.137 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1n[nH]c3ccccc31)CCO2 ZINC001137348796 1377527551 /nfs/dbraw/zinc/52/75/51/1377527551.db2.gz PISGTLJEPUVXJU-OXQOHEQNSA-N 1 2 341.455 3.137 20 30 EGEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1n[nH]c3ccccc31)CCO2 ZINC001137348796 1377527553 /nfs/dbraw/zinc/52/75/53/1377527553.db2.gz PISGTLJEPUVXJU-OXQOHEQNSA-N 1 2 341.455 3.137 20 30 EGEDLO CC[C@H](CC(C)C)C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001268896000 1377530789 /nfs/dbraw/zinc/53/07/89/1377530789.db2.gz HIQYAMSPKXNEDL-QGZVFWFLSA-N 1 2 327.472 3.179 20 30 EGEDLO C=CCOCc1ncn2c1C[N@H+](Cc1cccc(C)c1F)CCC2 ZINC001137673739 1377587320 /nfs/dbraw/zinc/58/73/20/1377587320.db2.gz PQOJSVSIEKVMOY-UHFFFAOYSA-N 1 2 329.419 3.439 20 30 EGEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1cccc(C)c1F)CCC2 ZINC001137673739 1377587323 /nfs/dbraw/zinc/58/73/23/1377587323.db2.gz PQOJSVSIEKVMOY-UHFFFAOYSA-N 1 2 329.419 3.439 20 30 EGEDLO C=CCOc1ccccc1C[N@@H+]1CCc2onc(COCC)c2C1 ZINC001139032051 1377820349 /nfs/dbraw/zinc/82/03/49/1377820349.db2.gz HXLVCXRTEHDRJI-UHFFFAOYSA-N 1 2 328.412 3.334 20 30 EGEDLO C=CCOc1ccccc1C[N@H+]1CCc2onc(COCC)c2C1 ZINC001139032051 1377820350 /nfs/dbraw/zinc/82/03/50/1377820350.db2.gz HXLVCXRTEHDRJI-UHFFFAOYSA-N 1 2 328.412 3.334 20 30 EGEDLO N#Cc1ccc(C[NH+]2CCN(c3noc4ccccc43)CC2)cc1F ZINC001139525713 1377897169 /nfs/dbraw/zinc/89/71/69/1377897169.db2.gz IRBSRYNQWDTQDQ-UHFFFAOYSA-N 1 2 336.370 3.161 20 30 EGEDLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001139646693 1377925437 /nfs/dbraw/zinc/92/54/37/1377925437.db2.gz FGPVZZZPWJZCRU-AWEZNQCLSA-N 1 2 347.434 3.386 20 30 EGEDLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001139646693 1377925443 /nfs/dbraw/zinc/92/54/43/1377925443.db2.gz FGPVZZZPWJZCRU-AWEZNQCLSA-N 1 2 347.434 3.386 20 30 EGEDLO CC(C)CC(=O)NC1CC[NH+](Cc2cccc(Cl)c2C#N)CC1 ZINC001139691143 1377935438 /nfs/dbraw/zinc/93/54/38/1377935438.db2.gz UEDJUUVLVAHYOQ-UHFFFAOYSA-N 1 2 333.863 3.338 20 30 EGEDLO C=CCn1cc(C[NH+]2CCN(c3nsc4ccccc43)CC2)cn1 ZINC001139768379 1377948298 /nfs/dbraw/zinc/94/82/98/1377948298.db2.gz OOKGFBMCAFWQCX-UHFFFAOYSA-N 1 2 339.468 3.001 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)cc(C#N)c1 ZINC001139877406 1377970036 /nfs/dbraw/zinc/97/00/36/1377970036.db2.gz IWOLFRDQKRBCDE-CALCHBBNSA-N 1 2 345.418 3.281 20 30 EGEDLO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)cc(C#N)c1 ZINC001139877406 1377970037 /nfs/dbraw/zinc/97/00/37/1377970037.db2.gz IWOLFRDQKRBCDE-CALCHBBNSA-N 1 2 345.418 3.281 20 30 EGEDLO N#Cc1c(F)cc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1F ZINC001140751119 1378129383 /nfs/dbraw/zinc/12/93/83/1378129383.db2.gz KDMQRJYBXOAJRR-AWEZNQCLSA-N 1 2 334.288 3.116 20 30 EGEDLO N#Cc1c(F)cc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1F ZINC001140751119 1378129386 /nfs/dbraw/zinc/12/93/86/1378129386.db2.gz KDMQRJYBXOAJRR-AWEZNQCLSA-N 1 2 334.288 3.116 20 30 EGEDLO Cc1nc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001141426343 1378323673 /nfs/dbraw/zinc/32/36/73/1378323673.db2.gz ACUHEDMTOKXTIX-LBPRGKRZSA-N 1 2 328.359 3.183 20 30 EGEDLO Cc1nc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001141426343 1378323680 /nfs/dbraw/zinc/32/36/80/1378323680.db2.gz ACUHEDMTOKXTIX-LBPRGKRZSA-N 1 2 328.359 3.183 20 30 EGEDLO CSc1nc(C[N@@H+]2CCOC[C@@H]2C2CCCCC2)ccc1C#N ZINC001141945834 1378397207 /nfs/dbraw/zinc/39/72/07/1378397207.db2.gz OGOOXLKGTSJQPT-QGZVFWFLSA-N 1 2 331.485 3.456 20 30 EGEDLO CSc1nc(C[N@H+]2CCOC[C@@H]2C2CCCCC2)ccc1C#N ZINC001141945834 1378397209 /nfs/dbraw/zinc/39/72/09/1378397209.db2.gz OGOOXLKGTSJQPT-QGZVFWFLSA-N 1 2 331.485 3.456 20 30 EGEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc(C)ccc2C(F)(F)F)CC1 ZINC001143683709 1378633622 /nfs/dbraw/zinc/63/36/22/1378633622.db2.gz NVQOUCXHFKRRAN-UHFFFAOYSA-N 1 2 340.345 3.293 20 30 EGEDLO N#Cc1cncc(C[N@H+]2CCn3nc(-c4ccc(Cl)cc4)cc3C2)c1 ZINC001144084612 1378680876 /nfs/dbraw/zinc/68/08/76/1378680876.db2.gz IVSLICRUNXCWHB-UHFFFAOYSA-N 1 2 349.825 3.486 20 30 EGEDLO N#Cc1cncc(C[N@@H+]2CCn3nc(-c4ccc(Cl)cc4)cc3C2)c1 ZINC001144084612 1378680877 /nfs/dbraw/zinc/68/08/77/1378680877.db2.gz IVSLICRUNXCWHB-UHFFFAOYSA-N 1 2 349.825 3.486 20 30 EGEDLO CC/C(C)=C\C(=O)N1CC2(C1)CC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001147490551 1379032324 /nfs/dbraw/zinc/03/23/24/1379032324.db2.gz NXHYWIVZLVOQFR-NVNXTCNLSA-N 1 2 341.430 3.088 20 30 EGEDLO CC/C(C)=C\C(=O)N1CC2(C1)CC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001147490551 1379032326 /nfs/dbraw/zinc/03/23/26/1379032326.db2.gz NXHYWIVZLVOQFR-NVNXTCNLSA-N 1 2 341.430 3.088 20 30 EGEDLO CC#CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C(C)C)o1)C2 ZINC001148095157 1379116955 /nfs/dbraw/zinc/11/69/55/1379116955.db2.gz DMPANQWSBBJAQU-UHFFFAOYSA-N 1 2 343.471 3.026 20 30 EGEDLO CC#CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C(C)C)o1)C2 ZINC001148095157 1379116958 /nfs/dbraw/zinc/11/69/58/1379116958.db2.gz DMPANQWSBBJAQU-UHFFFAOYSA-N 1 2 343.471 3.026 20 30 EGEDLO CCCCCCCCCCC(=O)NCC[NH2+]Cc1nncs1 ZINC001148751357 1379259695 /nfs/dbraw/zinc/25/96/95/1379259695.db2.gz GQJLFQHFFKIXAX-UHFFFAOYSA-N 1 2 326.510 3.275 20 30 EGEDLO CC(C)(CCC#N)c1ccc(C(=O)N2CCc3[nH+]ccn3CC2)cc1 ZINC001148906296 1379296218 /nfs/dbraw/zinc/29/62/18/1379296218.db2.gz LOPGVPVAAFMDBW-UHFFFAOYSA-N 1 2 336.439 3.163 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@H+](CC=C(Cl)Cl)CCCO1 ZINC001149772086 1379442890 /nfs/dbraw/zinc/44/28/90/1379442890.db2.gz NFOVFWUGWRJGPZ-CYBMUJFWSA-N 1 2 349.302 3.115 20 30 EGEDLO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@@H+](CC=C(Cl)Cl)CCCO1 ZINC001149772086 1379442894 /nfs/dbraw/zinc/44/28/94/1379442894.db2.gz NFOVFWUGWRJGPZ-CYBMUJFWSA-N 1 2 349.302 3.115 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)CCCCC(C)C)C1 ZINC001150462354 1379554928 /nfs/dbraw/zinc/55/49/28/1379554928.db2.gz VSTGQNJAIXMXBN-INIZCTEOSA-N 1 2 330.900 3.162 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)CCCCC(C)C)C1 ZINC001150462354 1379554929 /nfs/dbraw/zinc/55/49/29/1379554929.db2.gz VSTGQNJAIXMXBN-INIZCTEOSA-N 1 2 330.900 3.162 20 30 EGEDLO C=CC[C@H](C(=O)NCC[NH2+][C@@H](C)c1ncc(C)o1)c1ccccc1 ZINC001151838581 1379794770 /nfs/dbraw/zinc/79/47/70/1379794770.db2.gz VUWQBZPOBOCECZ-RDJZCZTQSA-N 1 2 327.428 3.110 20 30 EGEDLO CC/C=C(/C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(F)ccc1C#N ZINC001152188299 1379881683 /nfs/dbraw/zinc/88/16/83/1379881683.db2.gz HOFWDYQDCXAEHJ-XIEDVDOYSA-N 1 2 331.435 3.380 20 30 EGEDLO CC/C=C(/C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(F)ccc1C#N ZINC001152188299 1379881690 /nfs/dbraw/zinc/88/16/90/1379881690.db2.gz HOFWDYQDCXAEHJ-XIEDVDOYSA-N 1 2 331.435 3.380 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2nc(C)sc2C)CCC1 ZINC001153776670 1380127317 /nfs/dbraw/zinc/12/73/17/1380127317.db2.gz PCXWTNCNOYDKQL-CQSZACIVSA-N 1 2 347.528 3.280 20 30 EGEDLO C#CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2nc(C)sc2C)CCC1 ZINC001153776670 1380127318 /nfs/dbraw/zinc/12/73/18/1380127318.db2.gz PCXWTNCNOYDKQL-CQSZACIVSA-N 1 2 347.528 3.280 20 30 EGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C12CCC(CC1)C2 ZINC001154024685 1380183022 /nfs/dbraw/zinc/18/30/22/1380183022.db2.gz CMJRFMQRRJBGIS-VQCLRJIVSA-N 1 2 343.309 3.302 20 30 EGEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C12CCC(CC1)C2 ZINC001154024685 1380183024 /nfs/dbraw/zinc/18/30/24/1380183024.db2.gz CMJRFMQRRJBGIS-VQCLRJIVSA-N 1 2 343.309 3.302 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1coc(C2CC2)n1 ZINC001154609680 1380316621 /nfs/dbraw/zinc/31/66/21/1380316621.db2.gz SXLBHCYQRNHEAJ-MRXNPFEDSA-N 1 2 345.487 3.462 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1coc(C2CC2)n1 ZINC001154609680 1380316628 /nfs/dbraw/zinc/31/66/28/1380316628.db2.gz SXLBHCYQRNHEAJ-MRXNPFEDSA-N 1 2 345.487 3.462 20 30 EGEDLO C=C/C(C)=C\CC(=O)NC[C@@H](C)[N@H+](CC)CC(=C)Br ZINC001154700233 1380334518 /nfs/dbraw/zinc/33/45/18/1380334518.db2.gz UJZFKUATUYOUDM-ICDLMJIXSA-N 1 2 329.282 3.244 20 30 EGEDLO C=C/C(C)=C\CC(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)Br ZINC001154700233 1380334519 /nfs/dbraw/zinc/33/45/19/1380334519.db2.gz UJZFKUATUYOUDM-ICDLMJIXSA-N 1 2 329.282 3.244 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C(C)C)o1 ZINC001154747460 1380344480 /nfs/dbraw/zinc/34/44/80/1380344480.db2.gz RERWNHWAHNQDBY-MRXNPFEDSA-N 1 2 333.476 3.318 20 30 EGEDLO CC#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C(C)C)o1 ZINC001154747460 1380344481 /nfs/dbraw/zinc/34/44/81/1380344481.db2.gz RERWNHWAHNQDBY-MRXNPFEDSA-N 1 2 333.476 3.318 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H](C)[N@H+](CC)Cc2csc(CC)n2)C1 ZINC001155126660 1380413511 /nfs/dbraw/zinc/41/35/11/1380413511.db2.gz PGEAFNLVUJQEGK-CQSZACIVSA-N 1 2 335.517 3.388 20 30 EGEDLO C=C1CC(C)(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2csc(CC)n2)C1 ZINC001155126660 1380413512 /nfs/dbraw/zinc/41/35/12/1380413512.db2.gz PGEAFNLVUJQEGK-CQSZACIVSA-N 1 2 335.517 3.388 20 30 EGEDLO C=CC1(CC(=O)NC[C@@H](C)[N@H+](CC)Cc2nonc2C)CCCCC1 ZINC001155789107 1380492417 /nfs/dbraw/zinc/49/24/17/1380492417.db2.gz NKGAJYHIJFYCGZ-OAHLLOKOSA-N 1 2 348.491 3.231 20 30 EGEDLO C=CC1(CC(=O)NC[C@@H](C)[N@@H+](CC)Cc2nonc2C)CCCCC1 ZINC001155789107 1380492418 /nfs/dbraw/zinc/49/24/18/1380492418.db2.gz NKGAJYHIJFYCGZ-OAHLLOKOSA-N 1 2 348.491 3.231 20 30 EGEDLO COC(=O)[C@@H]1CN(c2[nH+]ccc3ccc(C#N)cc32)Cc2ccccc21 ZINC001157170390 1380793889 /nfs/dbraw/zinc/79/38/89/1380793889.db2.gz DOEUXHFRPNVRDK-LJQANCHMSA-N 1 2 343.386 3.383 20 30 EGEDLO C#CCCCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(C)o1 ZINC001158336112 1381206736 /nfs/dbraw/zinc/20/67/36/1381206736.db2.gz HKLYFRRBZUQNKQ-GOSISDBHSA-N 1 2 345.487 3.380 20 30 EGEDLO C#CCCCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(C)o1 ZINC001158336112 1381206737 /nfs/dbraw/zinc/20/67/37/1381206737.db2.gz HKLYFRRBZUQNKQ-GOSISDBHSA-N 1 2 345.487 3.380 20 30 EGEDLO CC#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(CC)o1 ZINC001158350481 1381213635 /nfs/dbraw/zinc/21/36/35/1381213635.db2.gz RYRHAXAGCDKETB-QGZVFWFLSA-N 1 2 345.487 3.244 20 30 EGEDLO CC#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(CC)o1 ZINC001158350481 1381213636 /nfs/dbraw/zinc/21/36/36/1381213636.db2.gz RYRHAXAGCDKETB-QGZVFWFLSA-N 1 2 345.487 3.244 20 30 EGEDLO N#Cc1cc(N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)nc2ccccc12 ZINC001158628095 1381329954 /nfs/dbraw/zinc/32/99/54/1381329954.db2.gz JMBHVVROZVZANT-KRWDZBQOSA-N 1 2 342.393 3.416 20 30 EGEDLO COC(=O)C1(C#N)CCN(c2cc(C3CCCCC3)[nH+]c(C)n2)CC1 ZINC001158689700 1381354145 /nfs/dbraw/zinc/35/41/45/1381354145.db2.gz LFAAEELHPCFCRD-UHFFFAOYSA-N 1 2 342.443 3.116 20 30 EGEDLO COCc1cc[nH+]c(N2CCC(C#N)(c3ccccc3F)CC2)c1 ZINC001158888040 1381450268 /nfs/dbraw/zinc/45/02/68/1381450268.db2.gz NDEDNUJCKQNBCE-UHFFFAOYSA-N 1 2 325.387 3.429 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@H+](Cc2coc(C)n2)CC1 ZINC001160242259 1382045154 /nfs/dbraw/zinc/04/51/54/1382045154.db2.gz ISIVNGZLGRAGCC-UHFFFAOYSA-N 1 2 331.460 3.224 20 30 EGEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@@H+](Cc2coc(C)n2)CC1 ZINC001160242259 1382045156 /nfs/dbraw/zinc/04/51/56/1382045156.db2.gz ISIVNGZLGRAGCC-UHFFFAOYSA-N 1 2 331.460 3.224 20 30 EGEDLO Cc1cc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)ccc1-n1cc[nH+]c1 ZINC001292862125 1382222374 /nfs/dbraw/zinc/22/23/74/1382222374.db2.gz HCPPEIJRPWCDDJ-OAHLLOKOSA-N 1 2 346.390 3.458 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCC1=CC[N@H+](Cc2ncc(CC)o2)CC1 ZINC001160941399 1382245244 /nfs/dbraw/zinc/24/52/44/1382245244.db2.gz MZYJDAAHNCOEFU-JKSUJKDBSA-N 1 2 345.487 3.334 20 30 EGEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCC1=CC[N@@H+](Cc2ncc(CC)o2)CC1 ZINC001160941399 1382245248 /nfs/dbraw/zinc/24/52/48/1382245248.db2.gz MZYJDAAHNCOEFU-JKSUJKDBSA-N 1 2 345.487 3.334 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nc(C)no2)CC1 ZINC001160967285 1382253707 /nfs/dbraw/zinc/25/37/07/1382253707.db2.gz DUKDSCXYSJRUHP-HOCLYGCPSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@H+]([C@@H](C)c2nc(C)no2)CC1 ZINC001160967285 1382253711 /nfs/dbraw/zinc/25/37/11/1382253711.db2.gz DUKDSCXYSJRUHP-HOCLYGCPSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001160991143 1382264816 /nfs/dbraw/zinc/26/48/16/1382264816.db2.gz MBQQMAWUFGTNMO-HOCLYGCPSA-N 1 2 346.475 3.180 20 30 EGEDLO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@H+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001160991143 1382264819 /nfs/dbraw/zinc/26/48/19/1382264819.db2.gz MBQQMAWUFGTNMO-HOCLYGCPSA-N 1 2 346.475 3.180 20 30 EGEDLO C=CCCC1(C(=O)NCCC2=CC[N@H+](Cc3ncc(C)o3)CC2)CC1 ZINC001161116962 1382305323 /nfs/dbraw/zinc/30/53/23/1382305323.db2.gz WOUCJUKZUSGKME-UHFFFAOYSA-N 1 2 343.471 3.368 20 30 EGEDLO C=CCCC1(C(=O)NCCC2=CC[N@@H+](Cc3ncc(C)o3)CC2)CC1 ZINC001161116962 1382305325 /nfs/dbraw/zinc/30/53/25/1382305325.db2.gz WOUCJUKZUSGKME-UHFFFAOYSA-N 1 2 343.471 3.368 20 30 EGEDLO CCc1coc(CNc2cc(/C=N/[S@@](=O)C(C)(C)C)cc(C)[nH+]2)n1 ZINC001162139043 1382636899 /nfs/dbraw/zinc/63/68/99/1382636899.db2.gz ZNEKRAYTWVUJOX-PGQAWIONSA-N 1 2 348.472 3.434 20 30 EGEDLO Cc1nc([C@H]2COCCN2c2[nH+]ccc3ccc(C#N)cc32)cs1 ZINC001165679169 1383324410 /nfs/dbraw/zinc/32/44/10/1383324410.db2.gz NTYAMYKIXVECHY-QGZVFWFLSA-N 1 2 336.420 3.449 20 30 EGEDLO C=CCOCc1nn(C)c2c1CN(c1[nH+]c(C)cc(Cl)c1C)CC2 ZINC001165790017 1383345353 /nfs/dbraw/zinc/34/53/53/1383345353.db2.gz MNEBOYJWGVQFNP-UHFFFAOYSA-N 1 2 346.862 3.351 20 30 EGEDLO CCC(C)(C)c1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC001167558597 1383668924 /nfs/dbraw/zinc/66/89/24/1383668924.db2.gz QEGPFFXZNPHMDR-UHFFFAOYSA-N 1 2 343.515 3.422 20 30 EGEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCC(C)(C)S)[nH+]1 ZINC001170305425 1384287062 /nfs/dbraw/zinc/28/70/62/1384287062.db2.gz YUVDOEWYMLNMON-XHNXRLJJSA-N 1 2 327.519 3.391 20 30 EGEDLO C=CCOC(=O)N1CC[NH+]([C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171057366 1384438742 /nfs/dbraw/zinc/43/87/42/1384438742.db2.gz YKQXAAGWPBNWSY-OAHLLOKOSA-N 1 2 334.847 3.138 20 30 EGEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171186179 1384462970 /nfs/dbraw/zinc/46/29/70/1384462970.db2.gz UJUGWCRZXKUAAY-UWJYYQICSA-N 1 2 348.446 3.419 20 30 EGEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171776730 1384632436 /nfs/dbraw/zinc/63/24/36/1384632436.db2.gz ASKHWOBJBQJOCW-XLIONFOSSA-N 1 2 339.410 3.223 20 30 EGEDLO CCOC(=O)C1([NH2+][C@@H](C)Cc2ccc(C#N)cc2)Cc2ccccc2C1 ZINC001172301674 1384763897 /nfs/dbraw/zinc/76/38/97/1384763897.db2.gz UETDDTRAVAORBJ-INIZCTEOSA-N 1 2 348.446 3.180 20 30 EGEDLO C[C@@H](CCCC#N)[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)OC(C)(C)C ZINC001172489312 1384803851 /nfs/dbraw/zinc/80/38/51/1384803851.db2.gz POYGHRDSDSJVAZ-YOEHRIQHSA-N 1 2 332.444 3.317 20 30 EGEDLO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CCCCC2(F)F)C[C@H]1C#N ZINC001172976950 1384894421 /nfs/dbraw/zinc/89/44/21/1384894421.db2.gz XTONNLMBRSYFOE-RDBSUJKOSA-N 1 2 343.418 3.446 20 30 EGEDLO C=CCOC1CCC([N@H+]2CCn3c(COCC)cnc3[C@@H]2C)CC1 ZINC001173321852 1384957744 /nfs/dbraw/zinc/95/77/44/1384957744.db2.gz UQILZFDYUVXSAE-HJOIGYKYSA-N 1 2 333.476 3.310 20 30 EGEDLO C=CCOC1CCC([N@@H+]2CCn3c(COCC)cnc3[C@@H]2C)CC1 ZINC001173321852 1384957747 /nfs/dbraw/zinc/95/77/47/1384957747.db2.gz UQILZFDYUVXSAE-HJOIGYKYSA-N 1 2 333.476 3.310 20 30 EGEDLO Cc1csc(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)c1Cl ZINC001317447442 1385147929 /nfs/dbraw/zinc/14/79/29/1385147929.db2.gz VQWJDPORAKISMO-UHFFFAOYSA-N 1 2 347.871 3.443 20 30 EGEDLO Cc1csc(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)c1Cl ZINC001317447442 1385147931 /nfs/dbraw/zinc/14/79/31/1385147931.db2.gz VQWJDPORAKISMO-UHFFFAOYSA-N 1 2 347.871 3.443 20 30 EGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C1(c2cccc(Cl)c2)CC1 ZINC001317449033 1385149360 /nfs/dbraw/zinc/14/93/60/1385149360.db2.gz VLYLEWFLFMZPBL-UHFFFAOYSA-N 1 2 327.255 3.172 20 30 EGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C1(c2cccc(Cl)c2)CC1 ZINC001317449033 1385149362 /nfs/dbraw/zinc/14/93/62/1385149362.db2.gz VLYLEWFLFMZPBL-UHFFFAOYSA-N 1 2 327.255 3.172 20 30 EGEDLO N#Cc1cc2cccnc2nc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175710091 1385380134 /nfs/dbraw/zinc/38/01/34/1385380134.db2.gz SPTDXJSPRKVBNU-UHFFFAOYSA-N 1 2 330.273 3.241 20 30 EGEDLO COC(=O)c1cc(C#N)cc(Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175715139 1385382511 /nfs/dbraw/zinc/38/25/11/1385382511.db2.gz KQTNHPVEXOXWGE-UHFFFAOYSA-N 1 2 336.273 3.084 20 30 EGEDLO CC[NH+]1CCN(c2ccc(NC3=C(C#N)C(=O)CS3)cc2)CC1 ZINC001175783233 1385404605 /nfs/dbraw/zinc/40/46/05/1385404605.db2.gz HNHOJGRQJIAHII-UHFFFAOYSA-N 1 2 328.441 3.211 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cnc3ccccn32)C1 ZINC001317761328 1385451534 /nfs/dbraw/zinc/45/15/34/1385451534.db2.gz KAFPDSCBOVMEGL-OAHLLOKOSA-N 1 2 346.862 3.013 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cnc3ccccn32)C1 ZINC001317761328 1385451536 /nfs/dbraw/zinc/45/15/36/1385451536.db2.gz KAFPDSCBOVMEGL-OAHLLOKOSA-N 1 2 346.862 3.013 20 30 EGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCc2ccc(C)s2)C1 ZINC001317956408 1385587018 /nfs/dbraw/zinc/58/70/18/1385587018.db2.gz GIQIUXZDKZJROR-CQSZACIVSA-N 1 2 326.893 3.322 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCc2ccc(C)s2)C1 ZINC001317956408 1385587022 /nfs/dbraw/zinc/58/70/22/1385587022.db2.gz GIQIUXZDKZJROR-CQSZACIVSA-N 1 2 326.893 3.322 20 30 EGEDLO C#CCOc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)cc1 ZINC001318371859 1385657316 /nfs/dbraw/zinc/65/73/16/1385657316.db2.gz NJMNLCDMURUIGV-HXUWFJFHSA-N 1 2 349.434 3.087 20 30 EGEDLO C#CCOc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)cc1 ZINC001318371859 1385657318 /nfs/dbraw/zinc/65/73/18/1385657318.db2.gz NJMNLCDMURUIGV-HXUWFJFHSA-N 1 2 349.434 3.087 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2OCC[N@H+](Cc3ccc(C)cc3)[C@H]2C1 ZINC001177025021 1385777361 /nfs/dbraw/zinc/77/73/61/1385777361.db2.gz NZKJNDCOYYLCQA-VQTJNVASSA-N 1 2 342.483 3.153 20 30 EGEDLO C=C(C)CCC(=O)N1CC[C@H]2OCC[N@@H+](Cc3ccc(C)cc3)[C@H]2C1 ZINC001177025021 1385777365 /nfs/dbraw/zinc/77/73/65/1385777365.db2.gz NZKJNDCOYYLCQA-VQTJNVASSA-N 1 2 342.483 3.153 20 30 EGEDLO C=CCCC(=O)N(CCC[NH2+][C@@H](C)c1noc(C)n1)CC1CCCC1 ZINC001177246015 1385883069 /nfs/dbraw/zinc/88/30/69/1385883069.db2.gz UHRRPVIQLIBLBX-HNNXBMFYSA-N 1 2 348.491 3.404 20 30 EGEDLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1nc(-c2ccc(C#N)s2)cs1 ZINC001178690802 1386278810 /nfs/dbraw/zinc/27/88/10/1386278810.db2.gz IKSWIEPMYWDJJC-LBPRGKRZSA-N 1 2 332.454 3.166 20 30 EGEDLO C[N@H+]1CCCC[C@H]1C(=O)Nc1nc(-c2ccc(C#N)s2)cs1 ZINC001178690802 1386278812 /nfs/dbraw/zinc/27/88/12/1386278812.db2.gz IKSWIEPMYWDJJC-LBPRGKRZSA-N 1 2 332.454 3.166 20 30 EGEDLO Cc1sccc1C(=O)N(C)CC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001319993571 1386441206 /nfs/dbraw/zinc/44/12/06/1386441206.db2.gz CLHLJDJMFBRUTG-UHFFFAOYSA-N 1 2 345.443 3.271 20 30 EGEDLO Cc1sccc1C(=O)N(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001319993571 1386441210 /nfs/dbraw/zinc/44/12/10/1386441210.db2.gz CLHLJDJMFBRUTG-UHFFFAOYSA-N 1 2 345.443 3.271 20 30 EGEDLO N#Cc1ccc(-c2ccccc2NC(=O)Cc2cc[nH+]c(N)c2)cc1 ZINC001181263430 1386969542 /nfs/dbraw/zinc/96/95/42/1386969542.db2.gz MKLYESWTKKCMMM-UHFFFAOYSA-N 1 2 328.375 3.384 20 30 EGEDLO N#CCc1ccccc1C(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001336602976 1389125106 /nfs/dbraw/zinc/12/51/06/1389125106.db2.gz WKEGMJZCXHVGAD-SFHVURJKSA-N 1 2 339.826 3.193 20 30 EGEDLO CCCC(C)(C)C(=O)N[C@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001330037680 1389290644 /nfs/dbraw/zinc/29/06/44/1389290644.db2.gz BWBHTJVHBWGRRC-CQSZACIVSA-N 1 2 345.462 3.460 20 30 EGEDLO C=C(Br)C[N@H+]1CCCC2(CN(C(=O)[C@@H](C)CCC)C2)C1 ZINC001330489259 1389430188 /nfs/dbraw/zinc/43/01/88/1389430188.db2.gz SFYAKRVWTJNUOI-ZDUSSCGKSA-N 1 2 343.309 3.256 20 30 EGEDLO C=C(Br)C[N@@H+]1CCCC2(CN(C(=O)[C@@H](C)CCC)C2)C1 ZINC001330489259 1389430192 /nfs/dbraw/zinc/43/01/92/1389430192.db2.gz SFYAKRVWTJNUOI-ZDUSSCGKSA-N 1 2 343.309 3.256 20 30 EGEDLO C#CCCCOc1ccc[nH+]c1NC1CCN(c2nccs2)CC1 ZINC001333720833 1390383505 /nfs/dbraw/zinc/38/35/05/1390383505.db2.gz CJCDMJNGXNPVHU-UHFFFAOYSA-N 1 2 342.468 3.411 20 30 EGEDLO CCn1c(C[NH+]2CCCCC2)nnc1N(CCC#N)CCC(C)C ZINC001341196523 1390455094 /nfs/dbraw/zinc/45/50/94/1390455094.db2.gz NOFHHJKNYXNPKG-UHFFFAOYSA-N 1 2 332.496 3.050 20 30 EGEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N(Cc1ccco1)C(C)C ZINC001342100790 1390571727 /nfs/dbraw/zinc/57/17/27/1390571727.db2.gz VZEKKTSKOUJRHS-UHFFFAOYSA-N 1 2 343.475 3.458 20 30 EGEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H]1[C@H](C)CCC ZINC001342415451 1390610649 /nfs/dbraw/zinc/61/06/49/1390610649.db2.gz KOGQASPOZMWROY-HZPDHXFCSA-N 1 2 342.491 3.193 20 30 EGEDLO C=C(C)Cn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)CCCC ZINC001343947269 1390745856 /nfs/dbraw/zinc/74/58/56/1390745856.db2.gz JZPXWAJDXUMGBN-IAGOWNOFSA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)Cn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)CCCC ZINC001343947269 1390745858 /nfs/dbraw/zinc/74/58/58/1390745858.db2.gz JZPXWAJDXUMGBN-IAGOWNOFSA-N 1 2 347.507 3.016 20 30 EGEDLO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCC[N@@H+]2C)n1Cc1cccs1 ZINC001344785169 1390814939 /nfs/dbraw/zinc/81/49/39/1390814939.db2.gz LHGYNQNNTVIYIE-ZBFHGGJFSA-N 1 2 343.500 3.003 20 30 EGEDLO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCC[N@H+]2C)n1Cc1cccs1 ZINC001344785169 1390814941 /nfs/dbraw/zinc/81/49/41/1390814941.db2.gz LHGYNQNNTVIYIE-ZBFHGGJFSA-N 1 2 343.500 3.003 20 30 EGEDLO CC(C)(C#N)c1ccc(C(=O)OCCc2cn3c([nH+]2)CCCC3)cc1 ZINC001344798672 1390815642 /nfs/dbraw/zinc/81/56/42/1390815642.db2.gz JSYHFSSCIOAINZ-UHFFFAOYSA-N 1 2 337.423 3.420 20 30 EGEDLO C=C(C)CN(C)c1nnc([C@H]2CCCC[N@@H+]2C)n1C[C@H]1CCCCO1 ZINC001345581097 1390866886 /nfs/dbraw/zinc/86/68/86/1390866886.db2.gz GDDKIRHSBQCENP-IAGOWNOFSA-N 1 2 347.507 3.016 20 30 EGEDLO C=C(C)CN(C)c1nnc([C@H]2CCCC[N@H+]2C)n1C[C@H]1CCCCO1 ZINC001345581097 1390866888 /nfs/dbraw/zinc/86/68/88/1390866888.db2.gz GDDKIRHSBQCENP-IAGOWNOFSA-N 1 2 347.507 3.016 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1cccs1 ZINC001351615170 1391657630 /nfs/dbraw/zinc/65/76/30/1391657630.db2.gz GOCAQCZDWGDKEZ-OAHLLOKOSA-N 1 2 331.489 3.319 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)Cc1cccs1 ZINC001351615170 1391657633 /nfs/dbraw/zinc/65/76/33/1391657633.db2.gz GOCAQCZDWGDKEZ-OAHLLOKOSA-N 1 2 331.489 3.319 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@](C)(OC)CC1 ZINC001351614942 1391657898 /nfs/dbraw/zinc/65/78/98/1391657898.db2.gz BPRMZBOXFQAIPF-APWZRJJASA-N 1 2 347.507 3.016 20 30 EGEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@](C)(OC)CC1 ZINC001351614942 1391657901 /nfs/dbraw/zinc/65/79/01/1391657901.db2.gz BPRMZBOXFQAIPF-APWZRJJASA-N 1 2 347.507 3.016 20 30 EGEDLO CN(C[C@H]1CC[NH+]1Cc1ccc(C#N)cc1F)C(=O)CCCC1CC1 ZINC001479238532 1392199165 /nfs/dbraw/zinc/19/91/65/1392199165.db2.gz YUFRZXHECUWCHG-GOSISDBHSA-N 1 2 343.446 3.310 20 30 EGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](NC(=O)CCC3CCC3)C2)c1 ZINC001479901395 1392469334 /nfs/dbraw/zinc/46/93/34/1392469334.db2.gz IUHKWYNSMVGMLG-SFHVURJKSA-N 1 2 343.446 3.358 20 30 EGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](NC(=O)CCC3CCC3)C2)c1 ZINC001479901395 1392469337 /nfs/dbraw/zinc/46/93/37/1392469337.db2.gz IUHKWYNSMVGMLG-SFHVURJKSA-N 1 2 343.446 3.358 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001481412503 1394271575 /nfs/dbraw/zinc/27/15/75/1394271575.db2.gz XURQSAXNISCNEA-RFSXOUPVSA-N 1 2 336.907 3.344 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001481412503 1394271581 /nfs/dbraw/zinc/27/15/81/1394271581.db2.gz XURQSAXNISCNEA-RFSXOUPVSA-N 1 2 336.907 3.344 20 30 EGEDLO CC(C)C[C@@H](C)CC(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001481654031 1394433765 /nfs/dbraw/zinc/43/37/65/1394433765.db2.gz GLPKRSCPPNDZPK-OAHLLOKOSA-N 1 2 345.462 3.318 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1csc(-c2ccco2)n1 ZINC001498368465 1396976973 /nfs/dbraw/zinc/97/69/73/1396976973.db2.gz VCFHJEOTIIZGLH-NSHDSACASA-N 1 2 339.848 3.206 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1csc(-c2ccco2)n1 ZINC001498368465 1396976977 /nfs/dbraw/zinc/97/69/77/1396976977.db2.gz VCFHJEOTIIZGLH-NSHDSACASA-N 1 2 339.848 3.206 20 30 EGEDLO C[N@H+](CCNC(=O)c1ccc2c(c1)CCCC2)Cc1ccccc1C#N ZINC001690992456 1404910315 /nfs/dbraw/zinc/91/03/15/1404910315.db2.gz KTKNQHQFSUXNOY-UHFFFAOYSA-N 1 2 347.462 3.299 20 30 EGEDLO C[N@@H+](CCNC(=O)c1ccc2c(c1)CCCC2)Cc1ccccc1C#N ZINC001690992456 1404910317 /nfs/dbraw/zinc/91/03/17/1404910317.db2.gz KTKNQHQFSUXNOY-UHFFFAOYSA-N 1 2 347.462 3.299 20 30 EGEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F)C(=O)C1(C)CCCC1 ZINC001691650129 1405382888 /nfs/dbraw/zinc/38/28/88/1405382888.db2.gz WYSIXVNMVNYELQ-KRWDZBQOSA-N 1 2 343.446 3.310 20 30 EGEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1F)C(=O)C1(C)CCCC1 ZINC001691650129 1405382891 /nfs/dbraw/zinc/38/28/91/1405382891.db2.gz WYSIXVNMVNYELQ-KRWDZBQOSA-N 1 2 343.446 3.310 20 30 EGEDLO C[C@H](C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1)C1CCCC1 ZINC001692343926 1405963462 /nfs/dbraw/zinc/96/34/62/1405963462.db2.gz JNVYPVGBJRHGMB-AWEZNQCLSA-N 1 2 343.446 3.072 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cc(C)cc(C)n2)C1 ZINC001732038183 1428262172 /nfs/dbraw/zinc/26/21/72/1428262172.db2.gz CGWSNIPXAQCJOR-MRXNPFEDSA-N 1 2 335.879 3.377 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cc(C)cc(C)n2)C1 ZINC001732038183 1428262181 /nfs/dbraw/zinc/26/21/81/1428262181.db2.gz CGWSNIPXAQCJOR-MRXNPFEDSA-N 1 2 335.879 3.377 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)Cc2cccc(F)c2)C1 ZINC001732040978 1428270421 /nfs/dbraw/zinc/27/04/21/1428270421.db2.gz CHLSCRLKQMDESP-QGZVFWFLSA-N 1 2 338.854 3.434 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)Cc2cccc(F)c2)C1 ZINC001732040978 1428270424 /nfs/dbraw/zinc/27/04/24/1428270424.db2.gz CHLSCRLKQMDESP-QGZVFWFLSA-N 1 2 338.854 3.434 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(C)nc2ccccc21 ZINC001699472713 1412856001 /nfs/dbraw/zinc/85/60/01/1412856001.db2.gz UDYOIWRGNQKLJQ-CQSZACIVSA-N 1 2 331.847 3.346 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(C)nc2ccccc21 ZINC001699472713 1412856006 /nfs/dbraw/zinc/85/60/06/1412856006.db2.gz UDYOIWRGNQKLJQ-CQSZACIVSA-N 1 2 331.847 3.346 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)CC(C)(C)CC)C1 ZINC001699813178 1413230002 /nfs/dbraw/zinc/23/00/02/1413230002.db2.gz JECPUTBIZFGKSM-HNNXBMFYSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)CC(C)(C)CC)C1 ZINC001699813178 1413230005 /nfs/dbraw/zinc/23/00/05/1413230005.db2.gz JECPUTBIZFGKSM-HNNXBMFYSA-N 1 2 331.298 3.302 20 30 EGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2cccc(Cl)c2)C1 ZINC001700542592 1414210369 /nfs/dbraw/zinc/21/03/69/1414210369.db2.gz GYQBCVMMFIRIHY-LBPRGKRZSA-N 1 2 327.255 3.072 20 30 EGEDLO CCc1ccc(C(=O)N(C)CC[N@H+](C)Cc2ccccc2C#N)s1 ZINC001732586324 1428799187 /nfs/dbraw/zinc/79/91/87/1428799187.db2.gz KSCUUABBYKBUKO-UHFFFAOYSA-N 1 2 341.480 3.386 20 30 EGEDLO CCc1ccc(C(=O)N(C)CC[N@@H+](C)Cc2ccccc2C#N)s1 ZINC001732586324 1428799190 /nfs/dbraw/zinc/79/91/90/1428799190.db2.gz KSCUUABBYKBUKO-UHFFFAOYSA-N 1 2 341.480 3.386 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001713082043 1417628022 /nfs/dbraw/zinc/62/80/22/1417628022.db2.gz XFFRALPLDMXFSP-OAHLLOKOSA-N 1 2 336.838 3.363 20 30 EGEDLO C#CCCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001713082043 1417628024 /nfs/dbraw/zinc/62/80/24/1417628024.db2.gz XFFRALPLDMXFSP-OAHLLOKOSA-N 1 2 336.838 3.363 20 30 EGEDLO C=C(Cl)C[N@H+](CCNC(=O)Cc1ccc2c(c1)CCC2)C1CC1 ZINC001713565609 1418375495 /nfs/dbraw/zinc/37/54/95/1418375495.db2.gz TZIUEPYRSYELQC-UHFFFAOYSA-N 1 2 332.875 3.051 20 30 EGEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cc1ccc2c(c1)CCC2)C1CC1 ZINC001713565609 1418375496 /nfs/dbraw/zinc/37/54/96/1418375496.db2.gz TZIUEPYRSYELQC-UHFFFAOYSA-N 1 2 332.875 3.051 20 30 EGEDLO CCCC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CCC1 ZINC001713829122 1418628172 /nfs/dbraw/zinc/62/81/72/1418628172.db2.gz HDCXDSBEFPRJPE-QGZVFWFLSA-N 1 2 343.446 3.358 20 30 EGEDLO CCCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CCC1 ZINC001713829122 1418628179 /nfs/dbraw/zinc/62/81/79/1418628179.db2.gz HDCXDSBEFPRJPE-QGZVFWFLSA-N 1 2 343.446 3.358 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)CC(C)(C)CC)C1 ZINC001714004867 1418784677 /nfs/dbraw/zinc/78/46/77/1418784677.db2.gz XKBQDAKRCURBHF-ZDUSSCGKSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)CC(C)(C)CC)C1 ZINC001714004867 1418784679 /nfs/dbraw/zinc/78/46/79/1418784679.db2.gz XKBQDAKRCURBHF-ZDUSSCGKSA-N 1 2 331.298 3.254 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)CCc2cccs2)C1 ZINC001714053649 1418852238 /nfs/dbraw/zinc/85/22/38/1418852238.db2.gz MWQSJNTYPUOKKW-AWEZNQCLSA-N 1 2 326.893 3.356 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)CCc2cccs2)C1 ZINC001714053649 1418852239 /nfs/dbraw/zinc/85/22/39/1418852239.db2.gz MWQSJNTYPUOKKW-AWEZNQCLSA-N 1 2 326.893 3.356 20 30 EGEDLO CCCCc1nc(C[NH+]2CCC(C)(NC(=O)[C@@H](C)C#N)CC2)cs1 ZINC001716794247 1420927622 /nfs/dbraw/zinc/92/76/22/1420927622.db2.gz IVOFLBWUGVIDBG-AWEZNQCLSA-N 1 2 348.516 3.116 20 30 EGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)CC2(C)CC2)CC1 ZINC001733360628 1429544169 /nfs/dbraw/zinc/54/41/69/1429544169.db2.gz YIUVONAMTNZDKR-UHFFFAOYSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)CCCC2CC2)C1 ZINC001733410382 1429610216 /nfs/dbraw/zinc/61/02/16/1429610216.db2.gz SRAUFCXKVRDLPW-OAHLLOKOSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)CCCC2CC2)C1 ZINC001733410382 1429610220 /nfs/dbraw/zinc/61/02/20/1429610220.db2.gz SRAUFCXKVRDLPW-OAHLLOKOSA-N 1 2 329.282 3.056 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH]c2cccc(C)c12 ZINC001722906997 1424239190 /nfs/dbraw/zinc/23/91/90/1424239190.db2.gz UFTZCTQMKNEWJU-AWEZNQCLSA-N 1 2 333.863 3.208 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH]c2cccc(C)c12 ZINC001722906997 1424239195 /nfs/dbraw/zinc/23/91/95/1424239195.db2.gz UFTZCTQMKNEWJU-AWEZNQCLSA-N 1 2 333.863 3.208 20 30 EGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(Cc3ccc(F)cc3)CC2)C1 ZINC001731375241 1427309029 /nfs/dbraw/zinc/30/90/29/1427309029.db2.gz RFWMGSAQUPOQIV-INIZCTEOSA-N 1 2 336.838 3.091 20 30 EGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(Cc3ccc(F)cc3)CC2)C1 ZINC001731375241 1427309035 /nfs/dbraw/zinc/30/90/35/1427309035.db2.gz RFWMGSAQUPOQIV-INIZCTEOSA-N 1 2 336.838 3.091 20 30 EGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccccc1OC1CCC1 ZINC001734054182 1437844377 /nfs/dbraw/zinc/84/43/77/1437844377.db2.gz RHPXFLMGZDXUJD-CQSZACIVSA-N 1 2 336.863 3.421 20 30 EGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccccc1OC1CCC1 ZINC001734054182 1437844380 /nfs/dbraw/zinc/84/43/80/1437844380.db2.gz RHPXFLMGZDXUJD-CQSZACIVSA-N 1 2 336.863 3.421 20 30 EGEDLO CCC(C)(C)C(=O)N[C@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001734121622 1437902007 /nfs/dbraw/zinc/90/20/07/1437902007.db2.gz VPRPPBKKNMHGPE-CYBMUJFWSA-N 1 2 331.435 3.070 20 30 EGEDLO C=C[C@H](CC)CC(=O)N(C)C1CC[NH+]([C@H](C)c2nnc(CC)o2)CC1 ZINC001752303666 1440168460 /nfs/dbraw/zinc/16/84/60/1440168460.db2.gz FNYFWJYXVPEUBS-HUUCEWRRSA-N 1 2 348.491 3.218 20 30 EGEDLO C=CCC1(C(=O)N(C)C2CC[NH+]([C@@H](C)c3nnc(C)o3)CC2)CCC1 ZINC001752307601 1440168733 /nfs/dbraw/zinc/16/87/33/1440168733.db2.gz AGMGRTWKTYNWAY-AWEZNQCLSA-N 1 2 346.475 3.108 20 30 EGEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2nnc(CC(C)C)o2)C1 ZINC001752571922 1440195643 /nfs/dbraw/zinc/19/56/43/1440195643.db2.gz RGUUQIOOASMZNH-GJZGRUSLSA-N 1 2 348.491 3.122 20 30 EGEDLO CC(C)SCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001752818317 1440219175 /nfs/dbraw/zinc/21/91/75/1440219175.db2.gz ZTFNEBNMACNVKY-SFHVURJKSA-N 1 2 345.512 3.171 20 30 EGEDLO CC(C)SCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001752818317 1440219176 /nfs/dbraw/zinc/21/91/76/1440219176.db2.gz ZTFNEBNMACNVKY-SFHVURJKSA-N 1 2 345.512 3.171 20 30 EGEDLO C=CCC1(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ncc(C)o2)CCC1 ZINC001752822423 1440221356 /nfs/dbraw/zinc/22/13/56/1440221356.db2.gz GUJIVASPKOJEPW-MRXNPFEDSA-N 1 2 331.460 3.200 20 30 EGEDLO C=CCC1(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ncc(C)o2)CCC1 ZINC001752822423 1440221357 /nfs/dbraw/zinc/22/13/57/1440221357.db2.gz GUJIVASPKOJEPW-MRXNPFEDSA-N 1 2 331.460 3.200 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)CC1CCC(OC)CC1 ZINC001752826162 1440223700 /nfs/dbraw/zinc/22/37/00/1440223700.db2.gz SEJRELKBBJAUHB-AQFXKWCLSA-N 1 2 342.911 3.305 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC1CCC(OC)CC1 ZINC001752826162 1440223701 /nfs/dbraw/zinc/22/37/01/1440223701.db2.gz SEJRELKBBJAUHB-AQFXKWCLSA-N 1 2 342.911 3.305 20 30 EGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)CC1CCC(OC)CC1 ZINC001752826163 1440223790 /nfs/dbraw/zinc/22/37/90/1440223790.db2.gz SEJRELKBBJAUHB-CGZBRXJRSA-N 1 2 342.911 3.305 20 30 EGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)CC1CCC(OC)CC1 ZINC001752826163 1440223791 /nfs/dbraw/zinc/22/37/91/1440223791.db2.gz SEJRELKBBJAUHB-CGZBRXJRSA-N 1 2 342.911 3.305 20 30 EGEDLO C=CC(C)(C)C(=O)NCC[N@@H+](C)Cc1ccc(-c2ncco2)cc1F ZINC001753059518 1440282909 /nfs/dbraw/zinc/28/29/09/1440282909.db2.gz LMADJWLPLOFSGL-UHFFFAOYSA-N 1 2 345.418 3.241 20 30 EGEDLO C=CC(C)(C)C(=O)NCC[N@H+](C)Cc1ccc(-c2ncco2)cc1F ZINC001753059518 1440282910 /nfs/dbraw/zinc/28/29/10/1440282910.db2.gz LMADJWLPLOFSGL-UHFFFAOYSA-N 1 2 345.418 3.241 20 30 EGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cccc(F)c1OCC ZINC001753091696 1440299490 /nfs/dbraw/zinc/29/94/90/1440299490.db2.gz GJHLOWUHRZGSJS-UHFFFAOYSA-N 1 2 328.815 3.029 20 30 EGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cccc(F)c1OCC ZINC001753091696 1440299491 /nfs/dbraw/zinc/29/94/91/1440299491.db2.gz GJHLOWUHRZGSJS-UHFFFAOYSA-N 1 2 328.815 3.029 20 30 EGEDLO C=CCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1csc(-c2ccco2)n1 ZINC001753097430 1440303177 /nfs/dbraw/zinc/30/31/77/1440303177.db2.gz OFRMPOFUUQAXRI-OAHLLOKOSA-N 1 2 345.468 3.450 20 30 EGEDLO C=CCCC(=O)NC[C@H]1CCC[N@H+]1Cc1csc(-c2ccco2)n1 ZINC001753097430 1440303178 /nfs/dbraw/zinc/30/31/78/1440303178.db2.gz OFRMPOFUUQAXRI-OAHLLOKOSA-N 1 2 345.468 3.450 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H]1CCC[N@H+]1CC=C(Cl)Cl ZINC001753108578 1440307196 /nfs/dbraw/zinc/30/71/96/1440307196.db2.gz NHXCIGLZMXLAEA-AWEZNQCLSA-N 1 2 331.287 3.470 20 30 EGEDLO C#CCCCCCC(=O)NC[C@@H]1CCC[N@@H+]1CC=C(Cl)Cl ZINC001753108578 1440307197 /nfs/dbraw/zinc/30/71/97/1440307197.db2.gz NHXCIGLZMXLAEA-AWEZNQCLSA-N 1 2 331.287 3.470 20 30 EGEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)c1ccccc1C ZINC001753141856 1440321680 /nfs/dbraw/zinc/32/16/80/1440321680.db2.gz HFIRTHRTVHWKTJ-UHFFFAOYSA-N 1 2 339.277 3.345 20 30 EGEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1ccccc1C ZINC001753141856 1440321681 /nfs/dbraw/zinc/32/16/81/1440321681.db2.gz HFIRTHRTVHWKTJ-UHFFFAOYSA-N 1 2 339.277 3.345 20 30 EGEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)[C@H]1CCC1(C)C ZINC001753147296 1440325317 /nfs/dbraw/zinc/32/53/17/1440325317.db2.gz ZCIRIVOHXKBRIQ-CYBMUJFWSA-N 1 2 331.298 3.159 20 30 EGEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)[C@H]1CCC1(C)C ZINC001753147296 1440325318 /nfs/dbraw/zinc/32/53/18/1440325318.db2.gz ZCIRIVOHXKBRIQ-CYBMUJFWSA-N 1 2 331.298 3.159 20 30 EGEDLO CC/C=C(/C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1F ZINC001753304091 1440355173 /nfs/dbraw/zinc/35/51/73/1440355173.db2.gz SLFHMIMCMHUFAZ-NOWHLAJFSA-N 1 2 341.430 3.229 20 30 EGEDLO CC/C=C(/C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1F ZINC001753304091 1440355174 /nfs/dbraw/zinc/35/51/74/1440355174.db2.gz SLFHMIMCMHUFAZ-NOWHLAJFSA-N 1 2 341.430 3.229 20 30 EGEDLO C=CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2c(C)noc2C)CCC1 ZINC001753309880 1440356202 /nfs/dbraw/zinc/35/62/02/1440356202.db2.gz JTFRMPJQLOMVAY-CALCHBBNSA-N 1 2 343.471 3.213 20 30 EGEDLO C=CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2c(C)noc2C)CCC1 ZINC001753309880 1440356203 /nfs/dbraw/zinc/35/62/03/1440356203.db2.gz JTFRMPJQLOMVAY-CALCHBBNSA-N 1 2 343.471 3.213 20 30 EGEDLO CCCN(C(=O)c1ccco1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001753312666 1440357233 /nfs/dbraw/zinc/35/72/33/1440357233.db2.gz BTHGPRKVKMQJHK-GOSISDBHSA-N 1 2 337.423 3.278 20 30 EGEDLO CCCN(C(=O)c1ccco1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001753312666 1440357234 /nfs/dbraw/zinc/35/72/34/1440357234.db2.gz BTHGPRKVKMQJHK-GOSISDBHSA-N 1 2 337.423 3.278 20 30 EGEDLO C=CC(C)(C)C(=O)NC1C[NH+](CCCOc2cccc(Cl)c2)C1 ZINC001753383792 1440388133 /nfs/dbraw/zinc/38/81/33/1440388133.db2.gz FZKRPCWLWXJJIM-UHFFFAOYSA-N 1 2 336.863 3.122 20 30 EGEDLO C[C@@H]1CCCC[C@H]1CC(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001753415680 1440394246 /nfs/dbraw/zinc/39/42/46/1440394246.db2.gz JUUAUMNUBAZMBX-AEFFLSMTSA-N 1 2 339.483 3.323 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N(C)[C@H]1CC[N@H+](Cc2csc(CC)n2)C1 ZINC001753441936 1440401867 /nfs/dbraw/zinc/40/18/67/1440401867.db2.gz SANMWSKRTQDAAJ-HOCLYGCPSA-N 1 2 335.517 3.341 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2csc(CC)n2)C1 ZINC001753441936 1440401868 /nfs/dbraw/zinc/40/18/68/1440401868.db2.gz SANMWSKRTQDAAJ-HOCLYGCPSA-N 1 2 335.517 3.341 20 30 EGEDLO C=CCC(CC=C)C(=O)N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2nnc(C)o2)C1 ZINC001753456693 1440408594 /nfs/dbraw/zinc/40/85/94/1440408594.db2.gz AYCHEFBYWLTUOC-YOEHRIQHSA-N 1 2 346.475 3.130 20 30 EGEDLO C=CCC(CC=C)C(=O)N(CC)[C@H]1CC[N@H+]([C@@H](C)c2nnc(C)o2)C1 ZINC001753456693 1440408595 /nfs/dbraw/zinc/40/85/95/1440408595.db2.gz AYCHEFBYWLTUOC-YOEHRIQHSA-N 1 2 346.475 3.130 20 30 EGEDLO C=CC1(CC(=O)NC[C@@H](CC)[NH2+][C@@H](C)c2nc(C)no2)CCCCC1 ZINC001753488697 1440418681 /nfs/dbraw/zinc/41/86/81/1440418681.db2.gz RJGNQEOWKUHWKF-GOEBONIOSA-N 1 2 348.491 3.450 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)CCC1 ZINC001753652853 1440456742 /nfs/dbraw/zinc/45/67/42/1440456742.db2.gz PDVFTTJEQQXSMI-LJQANCHMSA-N 1 2 342.483 3.058 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)CCC1 ZINC001753652853 1440456743 /nfs/dbraw/zinc/45/67/43/1440456743.db2.gz PDVFTTJEQQXSMI-LJQANCHMSA-N 1 2 342.483 3.058 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cc(C)n(C(CC)CC)n1 ZINC001754313980 1440574225 /nfs/dbraw/zinc/57/42/25/1440574225.db2.gz ILKZYIYIDDIAFA-ZDUSSCGKSA-N 1 2 340.899 3.355 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cc(C)n(C(CC)CC)n1 ZINC001754313980 1440574226 /nfs/dbraw/zinc/57/42/26/1440574226.db2.gz ILKZYIYIDDIAFA-ZDUSSCGKSA-N 1 2 340.899 3.355 20 30 EGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1c(F)ccc(F)c1Cl ZINC001754328907 1440582502 /nfs/dbraw/zinc/58/25/02/1440582502.db2.gz RFIALNCAKUCLIM-SECBINFHSA-N 1 2 337.197 3.421 20 30 EGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1c(F)ccc(F)c1Cl ZINC001754328907 1440582503 /nfs/dbraw/zinc/58/25/03/1440582503.db2.gz RFIALNCAKUCLIM-SECBINFHSA-N 1 2 337.197 3.421 20 30 EGEDLO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@@H]1CC[C@@H](C)CC1 ZINC001754331508 1440584298 /nfs/dbraw/zinc/58/42/98/1440584298.db2.gz UJXFYXDOJCOGQR-JYJNAYRXSA-N 1 2 345.462 3.460 20 30 EGEDLO C[C@@H](C[N@@H+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@@H]1CC[C@@H](C)CC1 ZINC001754331508 1440584299 /nfs/dbraw/zinc/58/42/99/1440584299.db2.gz UJXFYXDOJCOGQR-JYJNAYRXSA-N 1 2 345.462 3.460 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)CCCC1 ZINC001754503742 1440615522 /nfs/dbraw/zinc/61/55/22/1440615522.db2.gz AUZOXNOPFFRVKQ-FQEVSTJZSA-N 1 2 336.479 3.365 20 30 EGEDLO C=CCC1(C(=O)NC[C@@H]2CC[N@H+]2CC#Cc2ccccc2)CCCC1 ZINC001754503742 1440615523 /nfs/dbraw/zinc/61/55/23/1440615523.db2.gz AUZOXNOPFFRVKQ-FQEVSTJZSA-N 1 2 336.479 3.365 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cncc(C)c1 ZINC001754552697 1440630375 /nfs/dbraw/zinc/63/03/75/1440630375.db2.gz LOFWGIUPMBGABC-KDURUIRLSA-N 1 2 327.472 3.312 20 30 EGEDLO C=C(C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cncc(C)c1 ZINC001754552697 1440630376 /nfs/dbraw/zinc/63/03/76/1440630376.db2.gz LOFWGIUPMBGABC-KDURUIRLSA-N 1 2 327.472 3.312 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N(C)C1C[NH+](CCOc2cc(C)ccc2C)C1 ZINC001754580938 1440638631 /nfs/dbraw/zinc/63/86/31/1440638631.db2.gz SJMPIRPOQWCWPX-NRFANRHFSA-N 1 2 344.499 3.427 20 30 EGEDLO CC(C)c1cnc(C[NH+]2CCC(C)(NC(=O)C#CC(C)(C)C)CC2)o1 ZINC001754627000 1440646650 /nfs/dbraw/zinc/64/66/50/1440646650.db2.gz SSDZCUAONLMEJQ-UHFFFAOYSA-N 1 2 345.487 3.318 20 30 EGEDLO C[C@]1(NC(=O)CCCC2CC2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001754677499 1440660591 /nfs/dbraw/zinc/66/05/91/1440660591.db2.gz ICODCJQAEPDQBS-FQEVSTJZSA-N 1 2 343.446 3.358 20 30 EGEDLO C[C@]1(NC(=O)CCCC2CC2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001754677499 1440660592 /nfs/dbraw/zinc/66/05/92/1440660592.db2.gz ICODCJQAEPDQBS-FQEVSTJZSA-N 1 2 343.446 3.358 20 30 EGEDLO C=C(C)CCC(=O)NC[C@]1(C)CCC[N@@H+](Cc2nc(C(C)C)no2)C1 ZINC001754728399 1440677625 /nfs/dbraw/zinc/67/76/25/1440677625.db2.gz VBNBJKXNDBHCKY-IBGZPJMESA-N 1 2 348.491 3.268 20 30 EGEDLO C=C(C)CCC(=O)NC[C@]1(C)CCC[N@H+](Cc2nc(C(C)C)no2)C1 ZINC001754728399 1440677626 /nfs/dbraw/zinc/67/76/26/1440677626.db2.gz VBNBJKXNDBHCKY-IBGZPJMESA-N 1 2 348.491 3.268 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)CCC[N@@H+]([C@H](C)c2nc(CC)no2)C1 ZINC001754729305 1440678259 /nfs/dbraw/zinc/67/82/59/1440678259.db2.gz HPQZQQYMGQVWAF-AUUYWEPGSA-N 1 2 348.491 3.124 20 30 EGEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)CCC[N@H+]([C@H](C)c2nc(CC)no2)C1 ZINC001754729305 1440678260 /nfs/dbraw/zinc/67/82/60/1440678260.db2.gz HPQZQQYMGQVWAF-AUUYWEPGSA-N 1 2 348.491 3.124 20 30 EGEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[NH+]([C@H](C)c1csnn1)CC2 ZINC001754960868 1440717508 /nfs/dbraw/zinc/71/75/08/1440717508.db2.gz ZJLLCHYCDBFIOT-CABCVRRESA-N 1 2 348.516 3.126 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2nnc(CC)[nH]2)CC1 ZINC001755024699 1440728088 /nfs/dbraw/zinc/72/80/88/1440728088.db2.gz GNRWIBJWNJOYSO-GJZGRUSLSA-N 1 2 347.507 3.001 20 30 EGEDLO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2nnc(CC)[nH]2)CC1 ZINC001755024699 1440728089 /nfs/dbraw/zinc/72/80/89/1440728089.db2.gz GNRWIBJWNJOYSO-GJZGRUSLSA-N 1 2 347.507 3.001 20 30 EGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1COC2(C[NH+](Cc3ccc(C)cc3)C2)C1 ZINC001755062632 1440744522 /nfs/dbraw/zinc/74/45/22/1440744522.db2.gz BSUXISSLVMNNDX-QUCCMNQESA-N 1 2 342.483 3.057 20 30 EGEDLO C=CCN1Cc2ccc(CNC(=O)[C@H](c3ccccc3)[NH+](C)C)cc2C1 ZINC001755101683 1440752766 /nfs/dbraw/zinc/75/27/66/1440752766.db2.gz YLPNJISLEIBIFZ-NRFANRHFSA-N 1 2 349.478 3.107 20 30 EGEDLO CC[C@@H](C)CCC(=O)NCc1ccc2c(c1)C[N@@H+](CC#CCOC)C2 ZINC001755101624 1440752921 /nfs/dbraw/zinc/75/29/21/1440752921.db2.gz UTYNAMVYPNEBKS-QGZVFWFLSA-N 1 2 342.483 3.095 20 30 EGEDLO CC[C@@H](C)CCC(=O)NCc1ccc2c(c1)C[N@H+](CC#CCOC)C2 ZINC001755101624 1440752922 /nfs/dbraw/zinc/75/29/22/1440752922.db2.gz UTYNAMVYPNEBKS-QGZVFWFLSA-N 1 2 342.483 3.095 20 30 EGEDLO C=CCCC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2nc(C3CC3)no2)CC1(C)C ZINC001755137042 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